smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](NC(=O)NCC1(N(C)C)CCCCC1)c1nncn1C 43108841 VNZBQYLNUBAZHM-GFCCVEGCSA-N 308.430 1.440 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(CNC(C)=O)cc1 24725969 XPWWALKXOQUNJN-OAHLLOKOSA-N 320.389 1.640 0 40 DDAB CCc1nnc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)s1 24928618 MWQYHBAOJSOTPK-JTQLQIEISA-N 318.358 1.829 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(CC3(O)CCCCC3)CCO2)n1 78894403 PXOSRWDTPNVYEX-CYBMUJFWSA-N 308.426 1.997 0 40 DDAB CC1CCN(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)CC1 1372663 FJSYOZCYMWPSHO-UHFFFAOYSA-N 300.366 1.181 0 40 DDAB COc1cccc(N2CCN(Cc3cc(=O)c(O)co3)CC2)c1 79493142 AWJWLPIOTHNLGQ-UHFFFAOYSA-N 316.357 1.676 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCO1 4354879 HNGLZPGVDVLMPF-JSGCOSHPSA-N 306.362 1.597 0 40 DDAB CC[C@@H](C)NC(=O)CN1CCN(c2cccc(OC)c2)CC1 57331797 WLEUTYVWVCJQOP-CQSZACIVSA-N 305.422 1.732 0 40 DDAB c1cc(CNC[C@H]2CNc3ccnn3C2)cc(Cn2cccn2)c1 58298953 NIDQQWUGFHAGCL-KRWDZBQOSA-N 322.416 1.959 0 40 DDAB CC(C)OCCCNC(=O)C(=O)NC[C@@H](C)c1ccccc1 9235203 VAGZTFFHTWZGPW-CQSZACIVSA-N 306.406 1.838 0 40 DDAB O=C(Nc1nncs1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 44944905 YVJXWEYNSNMKSK-PHIMTYICSA-N 312.395 1.730 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nn2)CC1 44913270 RCHATQXXXJYBOX-UHFFFAOYSA-N 313.361 1.008 0 40 DDAB CCn1c(=O)n(CC(=O)N[C@H](C)[C@H]2CCCO2)c2ccccc21 27884324 WNBZSQOEBYETHP-IUODEOHRSA-N 317.389 1.507 0 40 DDAB Cc1csc(CNCc2c(C)nn(C)c2N2CCOCC2)n1 58392169 CQYHQQOPUQNLQY-UHFFFAOYSA-N 321.450 1.620 0 40 DDAB CNC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 58341368 PLALFGSEQQZKHL-MRVPVSSYSA-N 322.390 1.716 0 40 DDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ncccn2)C1 58378461 IWKULYVXRVLAFL-NWDGAFQWSA-N 306.366 1.079 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1 23141968 CVSRBUBWFJRUMX-JTQLQIEISA-N 301.346 1.182 0 40 DDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)c1ccccc1F 28913114 OUXLQFXPPHTBSP-FZMZJTMJSA-N 310.350 1.287 0 40 DDAB CC(C)CNC(=O)[C@@H](C)N1CCN(C(=O)c2ccoc2)CC1 45782866 TYLHAAZXXHUMHL-CYBMUJFWSA-N 307.394 1.198 0 40 DDAB O=C([C@@H]1CCCN1c1ncnc2sccc12)N1CCOCC1 46483959 FIXJVUMVZDJLRO-LBPRGKRZSA-N 318.402 1.519 0 40 DDAB C1CN([C@H]2CC[C@H]3S[C@H]2CC[C@H]3N2CCOCC2)CCO1 103012565 AISSRCQTANXUHV-SYMSYNOKSA-N 312.479 1.446 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NN1CCOCC1 2777570 AQGBWCDPSJJNBA-VIFPVBQESA-N 306.288 1.135 0 40 DDAB CN(C(C)(C)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1F 61151862 AWDCHBZEGRYMQN-UHFFFAOYSA-N 309.746 1.963 0 40 DDAB COc1ccccc1OCC(=O)N(CC(N)=O)C1CCCC1 47236248 HFDLAYUXNGSTGY-UHFFFAOYSA-N 306.362 1.331 0 40 DDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 111351659 GVJNIIMFWNQYOP-CYBMUJFWSA-N 310.419 1.450 0 40 DDAB Cc1cc(S(=O)(=O)NCCC[n+]2cc[nH]c2)ccc1Cl 101370774 YTSOQXWGPBKCKI-UHFFFAOYSA-O 314.818 1.633 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(N(C)C)c1 48234889 KRYLMKQZAFBGOU-LLVKDONJSA-N 316.361 1.175 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1nnc2ccccn12 48310464 XYMBEPPZESYBFV-LBPRGKRZSA-N 303.366 1.297 0 40 DDAB Cc1cc(C)c(C(=O)NS(=O)(=O)c2c(C)nn(C)c2C)o1 175079153 DWVXFDJTZWLMBL-UHFFFAOYSA-N 311.363 1.365 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](/C(O)=N/S(C)(=O)=O)C2)cc1 48481011 KZMQWAUGDWYLIU-ZDUSSCGKSA-N 324.402 1.763 0 40 DDAB COC(=O)CCCN1CCC(C(N)=O)(c2ccccc2)CC1 95397898 YVIUHUZEBMRANR-UHFFFAOYSA-N 304.390 1.459 0 40 DDAB CCOC(=O)C1=C(CSc2ncccn2)NC(=O)N[C@H]1C 6349566 DVXNKYBCZZVNAD-QMMMGPOBSA-N 308.363 1.087 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1c(C)nc(C)[nH]c1=O 65592423 OGONYZNTUHLHBK-ZDUSSCGKSA-N 323.393 1.023 0 40 DDAB COCCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OC)=C1C 9498585 OIROFEJUOXOJMM-CQSZACIVSA-N 322.336 1.985 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 6510840 BSOLDUSTDQAUCO-UHFFFAOYSA-N 318.354 1.789 0 40 DDAB c1ccc(NC[C@H]2CO[C@@H]3CN(C4CCOCC4)C[C@H]23)nc1 306129764 IMHMNGLWDNHAHH-NUEKZKHPSA-N 303.406 1.619 0 40 DDAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NCC(=O)O 4652443 OXZRZBDZXSECAQ-UHFFFAOYSA-N 319.313 1.243 0 40 DDAB COc1cncc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 96406659 ARNKVJOBYRYWKQ-UHFFFAOYSA-N 324.388 1.455 0 40 DDAB CN1C(=O)C[C@@H](NC(=O)c2cscn2)[C@@H]1c1ccc(F)cc1 96485023 DAMPKUISBODYSZ-RISCZKNCSA-N 319.361 1.984 0 40 DDAB O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1cc(F)c(F)c(F)c1 95441172 OIDQCYGFFDAXGM-CPCISQLKSA-N 309.309 1.543 0 40 DDAB CS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl 15420635 FYEPUOUKEOLQEA-UHFFFAOYSA-N 303.767 1.216 0 40 DDAB CN(CC(=O)NC1(C(=O)O)CCCCC1)C(=O)c1cccs1 71802759 LJMVTIPHHQHQSE-UHFFFAOYSA-N 324.402 1.724 0 40 DDAB O=C(CCc1cccs1)N1CCC[C@@H](N2CCNC2=O)C1 71841745 UHTDRWOBQSAHJI-GFCCVEGCSA-N 307.419 1.697 0 40 DDAB C[C@@H](Cn1cccn1)C(=O)N1CCC(Nc2cccnn2)CC1 71863383 WVLUGCQBCUPGTK-ZDUSSCGKSA-N 314.393 1.412 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@@H]3Cn3cccn3)cn12 71866763 SEXTTYJUXCCHCR-CQSZACIVSA-N 310.361 1.539 0 40 DDAB CCc1noc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)n1 81097808 XUJHXQMKVXKXPW-MNOVXSKESA-N 301.412 1.420 0 40 DDAB CNC(=O)c1cccc(NS(=O)(=O)N2CCC[C@@H](C)C2)c1 71916537 PXGQGAYMUYQKGO-LLVKDONJSA-N 311.407 1.435 0 40 DDAB O=C(/C=C/c1ccccc1)NCCCNC(=O)c1cnccn1 7871490 IHASWSBZKZPERL-BQYQJAHWSA-N 310.357 1.426 0 40 DDAB Cc1ccc(-c2cc(C(=O)N(C)CC(C)(CO)CO)[nH]n2)cc1 95444601 FEOBTRDUQHVBJB-UHFFFAOYSA-N 317.389 1.448 0 40 DDAB O=C(CCNC(=O)c1ccco1)Nc1nnc(C2CC2)s1 8388689 FTHXXBQSNPNTIZ-UHFFFAOYSA-N 306.347 1.767 0 40 DDAB Cc1cccn2cc(CC(=O)N(CC(N)=O)C3CCCC3)nc12 69599876 CPMKFRZDNDGGIS-UHFFFAOYSA-N 314.389 1.442 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)C1 69656552 FPSGXBWKNYLTFY-HUUCEWRRSA-N 304.394 1.305 0 40 DDAB CC(C)C[C@@H](O)CNC(=O)Nc1ccc2c(c1)oc(=O)n2C 72294239 LSBCSTXJCJDFBR-LLVKDONJSA-N 307.350 1.660 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)Nc1nccs1 69741472 UZZPBINWHULHSM-LLVKDONJSA-N 306.395 1.228 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)c1cn(C)nc1C(C)(C)C 92814789 FCTPBFINLRWEOG-UHFFFAOYSA-N 302.378 1.977 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2ccc(Cl)nn2)CC1 72344277 KYBAIVGCADVCQB-SNVBAGLBSA-N 303.815 1.734 0 40 DDAB CCn1cnnc1CNC(=O)N[C@@](C)(CO)C1CCCCC1 72312649 WTJSOFREWZXMCH-HNNXBMFYSA-N 309.414 1.429 0 40 DDAB Cn1nc2c(c1NC(=O)[C@@H]1CS[C@]3(C)CCC(=O)N13)CCC2 95955056 RKRJFIHMGAIOGW-XHDPSFHLSA-N 320.418 1.301 0 40 DDAB O=C1CN(C(=O)NC[C@@H]2CCCO2)CN1Cc1ccccc1 95977970 NFSSSXFZOJNZOH-AWEZNQCLSA-N 303.362 1.177 0 40 DDAB CCc1nc([C@@H]2CCCN(c3ccc(C(=O)NC)nn3)C2)no1 74745428 NQOWJCOMVXYNLA-SNVBAGLBSA-N 316.365 1.166 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3csc(C)n3)CCO2)n1 89289803 KVUARXNYKCWAPD-SNVBAGLBSA-N 307.379 1.346 0 40 DDAB CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CNC(=O)N1 89363642 YTRKEEBVXMTKBQ-MRXNPFEDSA-N 309.369 1.993 0 40 DDAB CC(C)Cc1noc(CN2CCC[C@H]2CN2CCC[C@@H]2CO)n1 75094063 PTRZTWISJOESLZ-LSDHHAIUSA-N 322.453 1.689 0 40 DDAB CN1CCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75124037 RZFMNAKUOSIXCC-CQSZACIVSA-N 311.385 1.866 0 40 DDAB Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 89623583 OCMCQDPLVJQKEV-AWEZNQCLSA-N 317.389 1.355 0 40 DDAB Cc1nc([C@H]2CCCN2C[C@H](O)COCc2ccco2)no1 89718205 GHUMMAFGSUXYKB-GXTWGEPZSA-N 307.350 1.686 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 89884783 JKYFOZSERCVPAI-SECBINFHSA-N 323.340 1.605 0 40 DDAB O=C(Cn1cnnn1)N(Cc1ccccc1)CC1(O)CCCC1 89832543 PSSYQJXLEHCNDA-UHFFFAOYSA-N 315.377 1.007 0 40 DDAB CCCCn1nc(C(=O)N2C[C@H](CC)[C@@H](N(C)C)C2)ccc1=O 89954906 RKFXJXMSGWSSFC-ZFWWWQNUSA-N 320.437 1.456 0 40 DDAB Cn1cncc1CN1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@@H]21 306144856 ZQONSCPOQSCEHM-CWRNSKLLSA-N 301.394 1.296 0 40 DDAB CN1CCN(C(=O)CCCNC(=O)C2CC2)Cc2ccccc21 68859377 DEEMKOMFGXNORC-UHFFFAOYSA-N 315.417 1.771 0 40 DDAB COc1ccc(CNc2nc3c(C)nn(C)c3c(=O)n2C)cc1 32651490 WMKXGBPVWWNBKI-UHFFFAOYSA-N 313.361 1.596 0 40 DDAB CN1C(=O)C[C@@H](C(=O)NCCn2cccc2)[C@H]1c1ccccc1 524733377 MKCXJTYQEUAZSS-NVXWUHKLSA-N 311.385 1.824 0 40 DDAB Nc1c(C(=O)N2CC[C@H](OC(F)F)C2)cnn1-c1ccccn1 552037510 XHOKDUNWTNZYPV-VIFPVBQESA-N 323.303 1.303 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccs2)o1 32827227 NBRNWGOZOAMNOE-UHFFFAOYSA-N 314.388 1.521 0 40 DDAB CCOC(=O)[C@H]1[C@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1 218272624 BOZMDNILTMQQNS-UONOGXRCSA-N 305.330 1.174 0 40 DDAB COc1ccc(OC)c(NC(=O)c2cc(=O)c(OC)co2)c1 38516576 ZWNNNUUFGPFHCP-UHFFFAOYSA-N 305.286 1.918 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 72242044 SDLSAVCVENAYHG-GOEBONIOSA-N 320.389 1.367 0 40 DDAB CSc1nnc(C)n1NC(=O)c1ccc2c(c1)OCCO2 33601747 YBFBWFCDHXYMGT-UHFFFAOYSA-N 306.347 1.464 0 40 DDAB CN1C(=O)CCc2cc(S(=O)(=O)Nc3cnn(C)c3)ccc21 72265351 FQVNJXLVZUAVNC-UHFFFAOYSA-N 320.374 1.130 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1 69569212 JNYQKEGJUUBHCG-GXTWGEPZSA-N 322.430 1.454 0 40 DDAB C[C@@H]1CCO[C@@H]1C(=O)N1CCC(O)(Cc2ccncc2)CC1 568986069 HLOHFAWLIQXSLD-HIFRSBDPSA-N 304.390 1.403 0 40 DDAB O=C(NC1CCC2(CC1)OCCO2)c1ccc2[nH]nnc2c1 47672559 VOQNZUXBVHZDBE-UHFFFAOYSA-N 302.334 1.373 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@@H](C)Oc1ccccc1C 80614379 NZTAXOKUNPYINN-CYBMUJFWSA-N 317.393 1.873 0 40 DDAB CCN(CC)CCNC(=O)COc1ccc2nccnc2c1 199428658 BQUVNAYIYUGYTL-UHFFFAOYSA-N 302.378 1.467 0 40 DDAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 222899962 NIBJKYJXTQTXQP-BLLLJJGKSA-N 322.380 1.858 0 40 DDAB CN1C(=O)[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)c2ccccc21 96243414 DHIMKOAVFLYAKM-KDOFPFPSSA-N 307.353 1.632 0 40 DDAB Cc1cncc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)c1 96449544 APURGUOZEWXBQC-ZDUSSCGKSA-N 315.377 1.896 0 40 DDAB Cn1cc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cn1 96042113 OTDKTOZUBOVVKM-YESZJQIVSA-N 314.389 1.626 0 40 DDAB c1coc(CN2CC[C@@H]3[C@@H](CO[C@H]3CN3CCOCC3)C2)c1 96056208 JIKWBXCACBEJSN-OIISXLGYSA-N 306.406 1.449 0 40 DDAB CN(CC(C)(C)S(C)(=O)=O)c1nnc(C(F)(F)F)s1 97099683 AQQXTGXVZVKDQU-UHFFFAOYSA-N 317.358 1.816 0 40 DDAB CC(C)Oc1ncnc2c1CCN(C(=O)c1cccn1C)CC2 96255644 FCQCHYMJAIYSPW-UHFFFAOYSA-N 314.389 1.843 0 40 DDAB Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC3CC3)C2)no1 97953354 FOMHRXJCFHXPOL-GDBMZVCRSA-N 305.378 1.243 0 40 DDAB O=C([C@H]1COC[C@H]2CN(CC3CCC3)C[C@H]21)N1CCC(F)CC1 96065249 DSLGTSHFQHOXNL-OIISXLGYSA-N 324.440 1.941 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1ncccc1C 257342321 ZOCYQIQNCMRTLO-QGZVFWFLSA-N 311.389 1.417 0 40 DDAB C[C@H](Cn1cccn1)NCC(=O)N[C@H]1CCOc2ccccc21 69740447 DXPKHUTWSJYKGD-HIFRSBDPSA-N 314.389 1.501 0 40 DDAB Cc1ccc([C@H](O)CN2CCO[C@H](Cn3cncn3)C2)cc1C 70011517 GDTBGMHMBIIWKI-DLBZAZTESA-N 316.405 1.329 0 40 DDAB O=C(C1CC1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257261326 LGTVSBLJJMOZFL-KRWDZBQOSA-N 315.417 1.987 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCCN3CCCC3=O)CCO2)n1 257220735 DLXRSYQTCNFYNZ-ZDUSSCGKSA-N 320.393 1.021 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccnn2C(C)C)n1 257251362 JQKXYNDLODNFDW-ZDUSSCGKSA-N 303.366 1.709 0 40 DDAB Cn1nccc1-c1ccc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257273553 NHCMPUNXYIFWPT-CYBMUJFWSA-N 320.418 1.306 0 40 DDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccccn2)[C@H]1O 257224783 FDIHNHBAWWIXGU-RBSFLKMASA-N 300.362 1.423 0 40 DDAB CCC(=O)N1CCC[C@@H]1c1ccnc2c(C(=O)NC)cnn12 257223823 DZAVUPPGUNDPMU-LLVKDONJSA-N 301.350 1.162 0 40 DDAB CC(C)n1nccc1C(=O)N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257260873 LEVHIFBSDCJRNS-YRGRVCCFSA-N 303.366 1.155 0 40 DDAB C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)C[C@@H]1COCCN1 262382953 NEQATIOSBVCZSB-ZYHUDNBSSA-N 310.344 1.789 0 40 DDAB O[C@H]1CCCN(CC2(O)CCOCC2)[C@H]1Cc1ccc(F)cc1 585275730 DTFYAFAECIXDGL-IRXDYDNUSA-N 323.408 1.735 0 40 DDAB COC[C@]1(CC(N)=O)CN(Cc2ccccc2Cl)CCO1 585275993 CSGRXQZUNZGZLA-HNNXBMFYSA-N 312.797 1.433 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCCCO2 40521793 DIKPXLUNJXWSOM-GFCCVEGCSA-N 304.346 1.246 0 40 DDAB Cc1noc(C)c1CNC(=O)CN[C@@](C)(CO)C1CCCCC1 77656448 JMMOUWZGMQJKCD-KRWDZBQOSA-N 323.437 1.829 0 40 DDAB CC(C)(C)n1cnc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)n1 568993670 QAAKQQXDTLPNGD-UHFFFAOYSA-N 316.409 1.851 0 40 DDAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nccs1 13570349 KZCSUBLVJYFAAI-ZCFIWIBFSA-N 306.376 1.929 0 40 DDAB Cn1ccnc1CC1CCN(c2cnn(C)c(=O)c2Cl)CC1 105793629 HDXWAZKYHMCLCV-UHFFFAOYSA-N 321.812 1.626 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@H]2c2cc(CN(C)C)n[nH]2)cn1 19708926 DBDKNUTXWDLHAQ-OAHLLOKOSA-N 314.393 1.547 0 40 DDAB CSc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 6127633 YNMHCEUHGBTSGX-SNVBAGLBSA-N 315.416 1.091 0 40 DDAB O=C([C@H]1CN(c2nc(C3CC3)ns2)CCO1)N1CCCCC1 1888834700 IJTJZNYHZPYRPB-GFCCVEGCSA-N 322.434 1.633 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nc3ccc(F)cc3o2)CCO1 1888866582 VIDRGVVLBGBODB-ZDUSSCGKSA-N 305.309 1.451 0 40 DDAB CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]1CCOC1)C2 1614935794 UFCBTIDNCUFPLX-GFCCVEGCSA-N 306.410 1.404 0 40 DDAB O=C(CSc1ccc(-c2cccnc2)nn1)N1CCOCC1 4358128 YZLKBABAUYLXPF-UHFFFAOYSA-N 316.386 1.490 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1F)c1ccco1 10331023 KPULIZWKOWGIQU-CYBMUJFWSA-N 319.336 1.776 0 40 DDAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccco2)CC1 2055772772 BPJZBQUPJZCJBA-UHFFFAOYSA-N 314.389 1.700 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N2CC(c3nc(C)no3)C2)c1 49482232 UFNOGYPDLAXVMT-UHFFFAOYSA-N 321.358 1.369 0 40 DDAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CC1 575616330 JUMYSRUUUJZXDF-UHFFFAOYSA-N 314.311 1.990 0 40 DDAB Cc1n[nH]c(C)c1C(=O)NCc1nc(-c2cccn2C)no1 225766807 IMJNHFAEVISDDF-UHFFFAOYSA-N 300.322 1.345 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Cl)OCO2 194963 VUKNLCGGZWYCES-GFCCVEGCSA-N 324.720 1.870 0 40 DDAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@]1(CO)C=C[C@H]2O1 101359657 WUGJBOLEJDOLMJ-BLTAXRJOSA-N 305.717 1.145 0 40 DDAB C[C@@H](C(=O)O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 51639126 DJWBYMOEWLJRAS-VIFPVBQESA-N 314.744 1.710 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101714433 YEBGGNXTPTXRQV-RWMBFGLXSA-N 317.389 1.179 0 40 DDAB COc1cccc(C(=O)NCCCCN2CCN(C)CC2)c1 41362435 ZJQUCSXNKRCYFV-UHFFFAOYSA-N 305.422 1.453 0 40 DDAB O=C1C[C@H](N(C(=O)c2cc(Cl)ccc2F)C2CC2)C(=O)N1 103736732 CBPOZLYUFMZGNR-NSHDSACASA-N 310.712 1.499 0 40 DDAB CN(CCOc1ccccc1Cl)C(=O)c1nccnc1N 22753131 BPCSDYLMGCDFNK-UHFFFAOYSA-N 306.753 1.863 0 40 DDAB CC(C)Cn1nc(C(=O)N2CCOCC2)c2ccccc2c1=O 42629197 AUOZWJPLBFPNKU-UHFFFAOYSA-N 315.373 1.525 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 42985860 NGIAHDPJLGFSDF-SNVBAGLBSA-N 300.355 1.020 0 40 DDAB CS(=O)(=O)N1CCC(NCc2c(F)cccc2F)CC1 30656247 QYZZIWDKWWOZLL-UHFFFAOYSA-N 304.362 1.478 0 40 DDAB CC(=O)NCCc1ccc(C(=O)OCc2nc(C)no2)cc1 28287818 ZOULCBDVYFTICI-UHFFFAOYSA-N 303.318 1.414 0 40 DDAB Cn1nc(-c2ccc(C(=O)NCCO)cc2)c2ccccc2c1=O 2344649 BDKKWOVVIDEHTC-UHFFFAOYSA-N 323.352 1.323 0 40 DDAB CS(=O)(=O)N[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 1695757 QZNMKLUUSKXLDR-ZBFHGGJFSA-N 317.366 1.921 0 40 DDAB Cc1[nH]nc(C(F)(F)F)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 2809137 CZHIZGLGSAHFDL-KVFPUHGPSA-N 315.251 1.404 0 40 DDAB COCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12 100794177 VWTAROVGHRKOPR-UHFFFAOYSA-N 304.346 1.700 0 40 DDAB biogenic CCCNC(=O)NC(=O)COC(=O)c1c(F)cccc1F 3396917 IBQQUKDSLVEBPO-UHFFFAOYSA-N 300.261 1.357 0 40 DDAB CCN1C(=S)N(c2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 4168724 YFPFWHDHVLZDJT-CHWSQXEVSA-N 310.444 1.587 0 40 DDAB N[C@H](CCCNc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)O 4972493 HPTVYAYAZFKLQF-LLVKDONJSA-N 302.334 1.041 0 40 DDAB CSc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1 4985127 JWSNIAYVRJIELH-UHFFFAOYSA-N 319.390 1.044 0 40 DDAB Cc1cc(S(=O)(=O)n2cc[nH]c2=O)c(S)cc1Cl 6484381 RKBKNWKQODKYCX-UHFFFAOYSA-N 304.780 1.664 0 40 DDAB C[C@H](O)CN1CCC(CNCc2cnn(C(C)(C)C)c2)CC1 69329847 QSWGHYSHEZIOHY-AWEZNQCLSA-N 308.470 1.821 0 40 DDAB Cc1nn2c(O)c(CCO)c(C(=O)O)nc2c1-c1ccccc1 20623073 KEPLSRAOIQCSGW-UHFFFAOYSA-N 313.313 1.643 0 40 DDAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCCCO 20722984 GSSYUQGCSPBQNS-ZDUSSCGKSA-N 308.403 1.821 0 40 DDAB Cc1c(Cl)c(C(=O)NC[C@@H](C)Oc2cccnc2)nn1C 71750468 DUQVYVINTSXMQB-SECBINFHSA-N 308.769 1.974 0 40 DDAB Cc1cc(C)cc(OCCC(=O)N2CCC(C(N)=O)CC2)c1 32765563 HWLYILBPXPEBBJ-UHFFFAOYSA-N 304.390 1.796 0 40 DDAB O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC2(CC1)OCCO2 102329518 LUUTZQREDZURBN-ZDEQEGDKSA-N 309.362 1.099 0 40 DDAB CC(=O)Nc1cccc(Cn2c(=O)[nH]c3ccccc3c2=O)c1 32930007 MJWABZINGBJVRG-UHFFFAOYSA-N 309.325 1.697 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 36838022 RXVVTWMMNDGRIJ-ZDUSSCGKSA-N 318.373 1.103 0 40 DDAB COCCNC(=O)CN1CCN([C@H](C)c2ccc(F)cc2)CC1 52685152 KKJFFWBJIMFJFP-CQSZACIVSA-N 323.412 1.267 0 40 DDAB COc1ccc(NC(=O)Cc2nc3nc(C)cc(O)n3n2)cc1 102724701 DIAARAGGSGZSNC-UHFFFAOYSA-N 313.317 1.328 0 40 DDAB O=C(NCc1ccccc1Cn1cncn1)N1CCSCC1 45927155 VFZRDMAWYLPHNP-UHFFFAOYSA-N 317.418 1.585 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c1 101055336 ISABKYQVAFBZOM-RQSQLSILSA-N 301.298 1.846 0 40 DDAB Cc1noc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 53670177 ODKRTXJQMDQWPD-UHFFFAOYSA-N 308.363 1.341 0 40 DDAB CCNC(=O)c1cccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 20963510 BTGTXGQBTHFHEW-CHWSQXEVSA-N 319.405 1.484 0 40 DDAB CC[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1C[C@@H](C)O 75132861 XSJRTVIUOIIZDN-HUUCEWRRSA-N 323.437 1.015 0 40 DDAB Cc1cc(C)cc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1 53433943 GVPGQCBZQUEGOQ-UHFFFAOYSA-N 317.433 1.472 0 40 DDAB CCN1C[C@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CC1=O 54224089 UITVNGCECRVHLO-LLVKDONJSA-N 316.336 1.818 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)CCc1nc(C(C)(C)C)no1 46890048 FMFDPZPVKINVJL-LBPRGKRZSA-N 324.425 1.137 0 40 DDAB Cc1noc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)n1 42702242 OBTQMFRFDXHHGN-UHFFFAOYSA-N 308.725 1.790 0 40 DDAB CN(CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccc(Cl)cn1 37436083 KSFTZIQQVHVDAD-JTQLQIEISA-N 311.769 1.494 0 40 DDAB in-vitro CN(Cc1cnn(C)c1)C(=O)c1ccccc1S(C)(=O)=O 24479907 MSARNKPGIZYQQX-UHFFFAOYSA-N 307.375 1.096 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100159432 MFXRVNBWYHSTOY-ZAQNNHEOSA-N 309.321 1.942 0 40 DDAB Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1 1398328 OADKKUCOXJKLFW-UHFFFAOYSA-N 324.432 1.986 0 40 DDAB COC(=O)[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@H]1O 91303000 PYNCMPUDZHHRNB-RYUDHWBXSA-N 313.394 1.948 0 40 DDAB in-vitro COc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1C 25167759 MXEXIJYZQZESQE-UHFFFAOYSA-N 302.374 1.698 0 40 DDAB COC(=O)c1ccc(NC(=O)CN2C(=O)CC(C)(C)C2=O)cc1 57996774 BHCWCAZHQGMNCZ-UHFFFAOYSA-N 318.329 1.197 0 40 DDAB COCCCNC(=O)CSc1nnc(C2CC2)n1C1CC1 8250160 GNHWJCPUEXSLSR-UHFFFAOYSA-N 310.423 1.735 0 40 DDAB CCn1cnnc1CNC(=O)NCCO[C@@H]1CCCC[C@H]1C 44955639 YDEUFRMSCYZSES-CHWSQXEVSA-N 309.414 1.693 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)COCc1cccs1 44910796 JGIGFVCZQIGIPR-JTQLQIEISA-N 322.342 1.736 0 40 DDAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(=O)O)cc1 3309035 HINYGNJXWGYTRH-UHFFFAOYSA-N 304.327 1.749 0 40 DDAB CCN(CCCNc1ncnc2ccsc12)S(C)(=O)=O 38035988 QCNTUVSAXBWISM-UHFFFAOYSA-N 314.436 1.775 0 40 DDAB CN1CC[C@@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CC1=O 70039931 VTTSVXGLAJBCJA-ZIAGYGMSSA-N 304.394 1.133 0 40 DDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 3554388 WLNUTCUOZHWLRY-NSHDSACASA-N 321.402 1.126 0 40 DDAB COc1ccnc(N2CCCN(C(=O)c3cc(C)on3)CC2)n1 69453694 CYBIBUMBWONYKL-UHFFFAOYSA-N 317.349 1.134 0 40 DDAB O=C(NC1=NCCS1)c1ccc(-c2cccs2)[nH]c1=O 49492567 CLHUJWGKJRXBGP-UHFFFAOYSA-N 305.384 1.936 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc(OC)c1 13536123 PZYQDWWXWZIUSI-DZGCQCFKSA-N 307.346 1.706 0 40 DDAB in-vitro O=S1(=O)C[C@H]2SC(=S)N(c3cccc(O)c3)[C@@H]2C1 4107584 PZOXVLAOSAAIKU-NXEZZACHSA-N 301.414 1.396 0 40 DDAB CCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 6011015 QQAHXEVUWXCPQJ-UHFFFAOYSA-N 310.375 1.618 0 40 DDAB CCc1nnc2n1CCN(CC(=O)NCCc1ccsc1)C2 69519435 RDVACDBFSKAUQQ-UHFFFAOYSA-N 319.434 1.077 0 40 DDAB CN(CCNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)OC(C)(C)C 69537359 JRTWCXJNCVOOTF-AWEZNQCLSA-N 320.389 1.973 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)NC1CCCC1)c(=O)[nH]n2C 69520366 DGICDVAJJYAZOJ-UHFFFAOYSA-N 302.378 1.480 0 40 DDAB Cc1nc(C(=O)N2CCC(c3cc(C(N)=O)[nH]n3)CC2)cs1 225557840 JLLUUUZQSZRLQH-UHFFFAOYSA-N 319.390 1.293 0 40 DDAB COc1cccc2c1N(C(=O)N[C@H]1CCCCNC1=O)CCC2 65412441 VRGSHTMGERNMKY-ZDUSSCGKSA-N 317.389 1.826 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(CCOCC(F)(F)F)CC1 69626974 NJDCIQIDNIFRIS-GFCCVEGCSA-N 312.376 1.590 0 40 DDAB O=S(=O)(c1ccc2nsnc2c1)N1[C@H]2CC[C@@H]1CCNC2 65509298 GKBVBXMXCGCNRV-ZJUUUORDSA-N 324.431 1.206 0 40 DDAB Cc1nnc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)n1C1CC1 14246539 HXKHWIMXALGSSR-JOYOIKCWSA-N 310.423 1.697 0 40 DDAB O=C(NCc1ccncc1)C1=NN(c2ccccc2)C(=O)CC1 6548575 HQWDSISGUIZPQS-UHFFFAOYSA-N 308.341 1.881 0 40 DDAB COc1ccccc1N1CCN(C(=O)C[C@H](C)CC(=O)O)CC1 4687712 LHTOAUKSVAOOLZ-ZDUSSCGKSA-N 320.389 1.845 0 40 DDAB CCc1ccccc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7472440 PERFGILFBVNWMO-QGZVFWFLSA-N 315.373 1.908 0 40 DDAB C[C@@H](CNC(=O)CCn1ccccc1=O)Oc1ccccc1F 80755407 JRLTXTNCVIEEMR-ZDUSSCGKSA-N 318.348 1.961 0 40 DDAB O=C(COC(=O)[C@H]1CCCO1)NCCc1cccc(Cl)c1 7694443 XOEXVKJDAPEQNM-CYBMUJFWSA-N 311.765 1.721 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)no1 71185989 FTRWZGSRXZTFET-LLVKDONJSA-N 306.343 1.632 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](CC)C(=O)OC)c1C 9219306 WKIXLIRLKRNKRM-SNVBAGLBSA-N 311.334 1.917 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ncccc1OC 96013125 HJVOOPQDYCTAPJ-SNVBAGLBSA-N 316.365 1.901 0 40 DDAB CN(C)C[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1 71878799 DXLUNCBTVKHCFO-QGZVFWFLSA-N 300.406 1.635 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1 71897076 ZMRLZDFWLVJGRB-OCCSQVGLSA-N 314.389 1.746 0 40 DDAB C[C@H]1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 71842012 UPEIXWVWIVSTSB-LBPRGKRZSA-N 309.410 1.746 0 40 DDAB CC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCCN1CC1CC1 71681393 MUKULMQRRAFEFV-INIZCTEOSA-N 317.433 1.957 0 40 DDAB Cc1noc([C@H](NC(=O)CNC(=O)c2ccccc2)C(C)C)n1 71899712 LXVKKCPTZOTABT-CQSZACIVSA-N 316.361 1.621 0 40 DDAB Cn1nc(C2CCC2)cc1NC(=O)CCCNC(=O)C1CC1 89741069 ZMQLVRQWBNZSPL-UHFFFAOYSA-N 304.394 1.933 0 40 DDAB Cn1cc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)cn1 89755226 RVUFHWOOYNHTLM-UHFFFAOYSA-N 314.267 1.643 0 40 DDAB O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CCN(C2CC2)C(=O)C1 89783231 QLGMDGOHBFMRNI-GJZGRUSLSA-N 302.349 1.762 0 40 DDAB CC(=O)NCCNC(=O)c1cc(C2CC2)nc2onc(C)c12 27671816 ZFTYGROPWVQXSQ-UHFFFAOYSA-N 302.334 1.275 0 40 DDAB O=C(Nc1nc2ccccc2n1C1CCCC1)c1nc(=O)[nH][nH]1 72294124 CIGLRRAQXPRLNF-UHFFFAOYSA-N 312.333 1.815 0 40 DDAB C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CN1Cc2ccccc2C1=O 72290785 GWVDRFIHWZAUST-ZRUHOGSISA-N 320.414 1.010 0 40 DDAB C[C@H]1CN(CCCCNc2nccn3cnnc23)C[C@H](C)O1 97019087 VGVJOEFYEXPOFN-STQMWFEESA-N 304.398 1.426 0 40 DDAB CCCS(=O)(=O)[C@H](C)C(=O)NCC1(C(=O)OC)CCCC1 72307207 YDFRYIMIQQWMMN-LLVKDONJSA-N 319.423 1.049 0 40 DDAB NC(=O)c1ccc(NC(=O)CCc2nc3ncccc3[nH]2)cc1 72404350 SJPBPYVCUBHAJA-UHFFFAOYSA-N 309.329 1.628 0 40 DDAB NC(=O)CCCNC(=O)/C=C/c1cc(Br)cs1 76065835 SQOVNRSRBSVXHR-ONEGZZNKSA-N 317.208 1.906 0 40 DDAB Cc1cc([C@@H](NC(=O)CNS(C)(=O)=O)C(C)C)c(C)s1 95394989 LMBLKTXMCGMBAM-ZDUSSCGKSA-N 318.464 1.727 0 40 DDAB C[C@H]1CN(S(=O)(=O)CCN[C@@H](C)c2ccco2)C[C@@H](C)O1 95420614 UOSHNPVXSZAFKZ-XQQFMLRXSA-N 316.423 1.369 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1nccnc1N 88282295 XBJKBGOZLIMPIF-CYBMUJFWSA-N 311.389 1.930 0 40 DDAB CN(Cc1ncnn1C)S(=O)(=O)c1c(F)cccc1Cl 95944607 CHIMPCSVQDKJSU-UHFFFAOYSA-N 318.761 1.428 0 40 DDAB Cc1ccc(N(C)C(=O)CCS(=O)(=O)N(C)C)cc1Cl 95979956 VJUPARJXZZTQME-UHFFFAOYSA-N 318.826 1.893 0 40 DDAB CC(C)CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408709712 WGNBSQIEBQMYOY-UHFFFAOYSA-N 305.378 1.536 0 40 DDAB CC(C)c1nnc2n(c1=O)CCC21CCN(C(=O)C2CC2)CC1 306138350 RVTAJDBRWCSUPY-UHFFFAOYSA-N 316.405 1.436 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1OC 40501713 GPGKMBRESQJBCK-MNOVXSKESA-N 315.391 1.502 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](C)N1CCCC1 40522474 SJERAPMFFMTARZ-ZDUSSCGKSA-N 313.405 1.790 0 40 DDAB CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O 1999244 HJPRDDKCXVCFOH-UHFFFAOYSA-N 320.393 1.549 0 40 DDAB biogenic,in-man CCOC(=O)N1CCN(C[C@H]2COc3ccccc3O2)CC1 31923748 ZHWBSKUFVXEUFG-ZDUSSCGKSA-N 306.362 1.601 0 40 DDAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C 188335029 ZENSBFDYQYJKHE-MFKMUULPSA-N 318.826 1.908 0 40 DDAB CNC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1 70666468 UEMAXIJRTGCKCQ-UHFFFAOYSA-N 312.325 1.926 0 40 DDAB biogenic CCOc1cccc(CNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)c1 79354433 YYQKIJSFBNBYCY-DLBZAZTESA-N 318.417 1.955 0 40 DDAB CCCNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217545075 RJQQJBUHBUPSPW-UHFFFAOYSA-N 300.380 1.893 0 40 DDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1 73768292 JMZMRRQLFLYZOA-UHFFFAOYSA-N 312.372 1.286 0 40 DDAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1CCO 72223668 FLLLFNRAONKVDI-UHFFFAOYSA-N 321.421 1.982 0 40 DDAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC(C)C 217702688 TYQDKEKJJXQYND-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB CN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 79412304 FPFKKHFPYSAYRQ-AWEZNQCLSA-N 305.378 1.205 0 40 DDAB C[C@@]1(C(=O)NCCN2CCOCC2)CC(c2cccs2)=NO1 226749635 XFIZHOCTDGSMJE-HNNXBMFYSA-N 323.418 1.080 0 40 DDAB O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1O 41127977 IEFDGDUQMRNWAC-UHFFFAOYSA-N 304.321 1.807 0 40 DDAB CC(C)S(=O)(=O)NC1=NCN([C@H]2CCCC[C@H]2C)CN1 40387313 FOYZJORBDLKDIG-NEPJUHHUSA-N 302.444 1.069 0 40 DDAB CCOc1ccc(-c2noc(CN(C)C(=O)COC)n2)cc1 224281751 NDTYPYPEZKUNKW-UHFFFAOYSA-N 305.334 1.740 0 40 DDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccco3)C2)nn1 225445005 GLTJBWYUGQFMGO-LLVKDONJSA-N 302.334 1.429 0 40 DDAB CC(=O)NCCCN(C)c1ccc(-n2nc(C)cc2C)nn1 96413738 IXTAHOOIMIXPIA-UHFFFAOYSA-N 302.382 1.242 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccoc3C)C[C@H]2N1C(C)C 97971526 WLYNMGNIAZQIRP-AEGPPILISA-N 319.405 1.257 0 40 DDAB CO[C@H](CNC(=O)c1cccn(C)c1=O)c1ccccc1C 96104932 ADYSHZWQALCOAB-OAHLLOKOSA-N 300.358 1.811 0 40 DDAB COC[C@H]1COCCC12CCN(C(=O)C1CCOCC1)CC2 96206291 MRISFNNFVILPAK-HNNXBMFYSA-N 311.422 1.705 0 40 DDAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O)CCc1ccccc1 149503170 LBAFHOAOCAWUSM-STQMWFEESA-N 309.362 1.958 0 40 DDAB COCCNC(=O)c1nc2c(o1)CN(Cc1ccccc1)C2 96147289 BMNHWMRBUMELON-UHFFFAOYSA-N 301.346 1.567 0 40 DDAB Cc1oncc1C(=O)N1CCn2cc(Cn3cccn3)nc2C1 96197338 LHXQAUQGKJHTNR-UHFFFAOYSA-N 312.333 1.080 0 40 DDAB CN1CC[C@@]2(c3ccccc3)CCN(C(=O)CCC(=O)O)C[C@H]12 96083401 DASZLFWEGVIPEO-YJBOKZPZSA-N 316.401 1.726 0 40 DDAB Cc1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)NC(C)C)C2)nn1 96038675 UDFXWRNKMUBUHY-CZUORRHYSA-N 304.394 1.295 0 40 DDAB CC(=O)N1CCC2(CC1)CN(CC(C)C)C[C@]21CCNC1=O 96243916 RYZMZHQJJQCEIJ-KRWDZBQOSA-N 307.438 1.093 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1cscn1)C2 96198045 WRFQZFUDCUNOFJ-NSHDSACASA-N 306.391 1.746 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccco1)OCC2 96044297 OSDOLBSYUDTPTI-CYBMUJFWSA-N 305.334 1.166 0 40 DDAB CCOC[C@H]1CN(c2cc(OC)ncn2)Cc2cn(C)nc21 96197988 KXEIWZOHDBSNNG-GFCCVEGCSA-N 303.366 1.359 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)c1ccc[nH]1)CC2 96228077 KWFKIPUREHDPLS-UHFFFAOYSA-N 305.378 1.258 0 40 DDAB CCOCC(=O)N[C@H]1CC[C@H](Oc2nc(C)cc(C)n2)CC1 240178530 YZCILPFGFMUCJB-HDJSIYSDSA-N 307.394 1.936 0 40 DDAB O=C1CCCN1CC[C@H]1CCOC12CN(c1ncccn1)C2 248008159 UOYDNYLYPPUJLJ-ZDUSSCGKSA-N 302.378 1.084 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)Cn3cc(C)cn3)CC[C@H]21 257206363 BDANUHFLNPWWIP-JKSUJKDBSA-N 318.421 1.441 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3ccnn3C)CCO2)c1 257344293 ZWMLWRMKPFGJOB-OAHLLOKOSA-N 315.377 1.379 0 40 DDAB O=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCC1 257201978 AJXXTPHYOSKXBM-INIZCTEOSA-N 307.369 1.468 0 40 DDAB CC(=O)N1CCC(c2cnc(N3CCC[C@H](O)C3)cn2)CC1 257261824 LIYHCALBXXMEBS-AWEZNQCLSA-N 304.394 1.164 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cccc(F)c1O 257260646 LDSXGIJXOKTQFR-IIAWOOMASA-N 322.380 1.639 0 40 DDAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257319718 VTUDQFQJFRTJMY-CYBMUJFWSA-N 324.388 1.869 0 40 DDAB CCOC(=O)N1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 390833237 DXRVIJGDTBLYPQ-OAHLLOKOSA-N 309.366 1.424 0 40 DDAB O=C(Nc1nc2ccccc2s1)N[C@@H]1C=CS(=O)(=O)C1 575422347 BJSYGNDDBYSYDG-MRVPVSSYSA-N 309.372 1.729 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@]3(CCCO3)C(=O)C2)n[nH]1 585289241 OMJOOSZFNNMNLB-MRXNPFEDSA-N 305.378 1.572 0 40 DDAB CN(C)C(=O)CN1CCC[C@@]2(C1)CN(CC1CCCCC1)C2=O 585099621 SLIYQVMTVIDNIN-GOSISDBHSA-N 321.465 1.579 0 40 DDAB O=C1COc2ccc(NC(=O)c3cn4ccccc4n3)cc2N1 43951233 FOQZTEHVXZLMEF-UHFFFAOYSA-N 308.297 1.918 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](c1cccs1)N(C)C 65415719 DZCUGIYUHYIZIQ-OLZOCXBDSA-N 321.450 1.935 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc2cc(F)ccc2n1 96836639 DILYNYQMMUIMOM-HIFRSBDPSA-N 304.321 1.482 0 40 DDAB CN(C)c1nc(Cn2ncc(Cl)c(Cl)c2=O)ns1 89326883 YYTZVBBWGKHRLO-UHFFFAOYSA-N 306.178 1.516 0 40 DDAB COc1cc(Cc2cnc(N)nc2N)cc(OC)c1N(C)C 11 QBQMXWZTRRWPGK-UHFFFAOYSA-N 303.366 1.315 0 40 DDAB in-man CC(C)NCCCNC(=S)C(=S)NCCCNC(C)C 5455423 QIFDEXGXKCRFNC-UHFFFAOYSA-N 318.556 1.597 0 40 DDAB CC[C@@H](C)NC(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O 12182788 RHMBEZJRSGNDBQ-SECBINFHSA-N 304.350 1.309 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 14128761 UUOPEVYPPIGXRN-FOGDFJRCSA-N 318.320 1.662 0 40 DDAB O=c1[nH]c(CN2CCNCC2)nc2sc3c(c12)CCCC3 19229935 XRSPTKVDSRUVCC-UHFFFAOYSA-N 304.419 1.269 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1c[nH]nc1-c1cccs1 19575854 DHPFLFPLWJXGMT-FPMFFAJLSA-N 318.446 1.778 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 225429170 SMYBTOVFCCJZIT-ZDUSSCGKSA-N 315.377 1.429 0 40 DDAB Cc1ccc(OC[C@@]2(O)CCN(Cc3cncn3C)C2)cc1 643913541 AXZHMQNPGMGNLQ-QGZVFWFLSA-N 301.390 1.744 0 40 DDAB O=S(=O)(c1cccs1)N1CC(OCC(F)(F)F)C1 390831248 QRHYSHLRGFVNAA-UHFFFAOYSA-N 301.311 1.700 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)n1 1888835013 GZCVAIHZKQPCKN-CQSZACIVSA-N 304.394 1.311 0 40 DDAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 1888854276 UEMLELPISYVKDJ-LBPRGKRZSA-N 324.446 1.831 0 40 DDAB COCc1nsc(N2C[C@@H]3CN(c4cnccn4)C[C@H]3C2)n1 1888856919 XZWYHXOLCZUNHU-QWRGUYRKSA-N 318.406 1.047 0 40 DDAB O=C1C[C@@H](Cn2ccn3nccc3c2=O)CN1Cc1ccccc1 1888904307 OJSIDPHYEFOEGD-HNNXBMFYSA-N 322.368 1.545 0 40 DDAB Cc1ccc(N2CCN(c3nc(C4CC4)ns3)CC2)nn1 1889077244 SXEZHZZRJPMUJM-UHFFFAOYSA-N 302.407 1.841 0 40 DDAB CSc1nc(C)cc(N2CCO[C@@H](C(=O)N3CCCC3)C2)n1 1889099123 RLEGRWPGFDWFHF-GFCCVEGCSA-N 322.434 1.335 0 40 DDAB O=C([C@@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCCC1 1889122785 DOUUXTBXRPFKJV-HNNXBMFYSA-N 310.344 1.788 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]21 2037985594 PCMNHBFFQXTZFN-JSGCOSHPSA-N 322.792 1.659 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3ccc4nccn4n3)C2)nc1 2087025965 OOEWTMRJHGPHMV-LLVKDONJSA-N 312.333 1.186 0 40 DDAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc2[nH]cnc2c1 74889959 IZPUTNZFXQZWQV-UHFFFAOYSA-N 305.301 1.995 0 40 DDAB Cn1cccc1[C@H](O)CNC(=O)c1ccc2nsnc2c1 75155056 JQRYNMXCDQVBMX-CYBMUJFWSA-N 302.359 1.493 0 40 DDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2)c(C)c1 414169 AQDPFVRAKINGHP-UHFFFAOYSA-N 317.418 1.994 0 40 DDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ncccn2)CC1 106505933 DEVSTECTVRHPBE-KKUMJFAQSA-N 300.406 1.952 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1cccc2c1OCCO2 43511009 KDLDWZUODKCENA-CQSZACIVSA-N 309.343 1.148 0 40 DDAB C[C@@H](NC(=O)Cn1cnnn1)c1cc(F)c(Cl)cc1Cl 12685031 CKYNGUGZIKSTOX-ZCFIWIBFSA-N 318.139 1.996 0 40 DDAB CCC[C@@H]1C[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 108386659 OPBVFBOWLCZBBE-BHYGNILZSA-N 324.465 1.951 0 40 DDAB C[C@H]1COCCN1S(=O)(=O)CCn1cnc2ccccc21 26847044 CIDGHHMUFNKHFI-LBPRGKRZSA-N 309.391 1.087 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)c1cnsn1 58014689 DUEZSZDWOUWRTO-UHFFFAOYSA-N 305.359 1.662 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O 8733939 XYYZGLOMAJWQRB-LBPRGKRZSA-N 305.334 1.354 0 40 DDAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1 44889146 BHRVSJNRMPWQDJ-KBPBESRZSA-N 307.346 1.595 0 40 DDAB O=C(C(=O)N1CCN(Cc2ccccc2)CC1)N1CCCCC1 59766013 WNGZSWVNBYJEGQ-UHFFFAOYSA-N 315.417 1.343 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100159430 MFXRVNBWYHSTOY-MBIARJLFSA-N 309.321 1.942 0 40 DDAB O=C(COc1cccc(-c2nnco2)c1)NCC(F)(F)F 29751632 ANKCXNPEBICSHC-UHFFFAOYSA-N 301.224 1.794 0 40 DDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(OC)c(OC)c1 2662829 XRPIPIDHSHSKBO-HZMBPMFUSA-N 323.393 1.403 0 40 DDAB CC(=O)OC1[C@H]2C(=O)[C@@H]3[C@H]4C=C[C@H]5C4C4[C@@H]6[C@H]5C(=O)[C@@H]1[C@@H]6[C@@H]2[C@H]43 104289702 KDWQSRJKZWENCT-NBZREOFOSA-N 310.349 1.102 0 40 DDAB COc1ccccc1N1CCN(Cc2nnnn2C2CC2)CC1 29922448 KLGFYFGICLTETL-UHFFFAOYSA-N 314.393 1.339 0 40 DDAB NC(=O)N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 114137618 QGKRHFLOAXTCSE-JTQLQIEISA-N 301.268 1.588 0 40 DDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 21821683 YZFVGKIJKXPYBM-UHFFFAOYSA-N 316.398 1.751 0 40 DDAB Cc1nn(Cc2ccccc2)c(C)c1/C(O)=N/S(C)(=O)=O 48479361 RJIWTWJBQACGJN-UHFFFAOYSA-N 307.375 1.812 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 12981197 OAXJIUZBLREFBQ-UWVGGRQHSA-N 307.350 1.300 0 40 DDAB COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2C)c(OC)c1OC 62715979 NGSHHQFBVBUOOQ-SKDRFNHKSA-N 309.318 1.316 0 40 DDAB COc1ccccc1C1=NO[C@@H](C(=O)NC[C@@H]2CCCO2)C1 21778846 OKJRCCYTLZGHIN-XHDPSFHLSA-N 304.346 1.483 0 40 DDAB COc1ccc(-c2cnn([C@H]3CCS(=O)(=O)C3)c2N)cc1 5210860 KAKSOKFABYJBCC-NSHDSACASA-N 307.375 1.501 0 40 DDAB COC(=O)CNC(=O)COCC(=O)Nc1ccc(C(C)C)cc1 13942179 VNOATMPWXHTLPB-UHFFFAOYSA-N 322.361 1.054 0 40 DDAB COCCN1CCCN(C(=O)NCc2ccc(C)s2)CC1 65440525 NYSUTISOALZWGM-UHFFFAOYSA-N 311.451 1.920 0 40 DDAB Cc1cc(OCC(=O)NCCCO)c2c(C)c(C)c(=O)oc2c1 5321857 YQRBJXOLZXKQHK-UHFFFAOYSA-N 319.357 1.596 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 65578954 GXUOIEFXOXJPLG-UHFFFAOYSA-N 320.389 1.896 0 40 DDAB Cn1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)n1 14197908 KINSLQOSCGVEBC-UHFFFAOYSA-N 306.753 1.832 0 40 DDAB Cc1ncc(C[S@@](=O)CCCS(=O)(=O)C(C)C)s1 95411960 FPJVBRRHGZAONM-QGZVFWFLSA-N 309.478 1.914 0 40 DDAB Cn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 6534019 AZWGHBOQMULZJM-UHFFFAOYSA-N 309.325 1.569 0 40 DDAB Cn1cc([C@H]2CCCN2C[C@H](O)COCc2ccco2)cn1 71799302 UVUPEFKEKHMBOQ-GOEBONIOSA-N 305.378 1.728 0 40 DDAB CCC(=O)N1CCN(c2cc(COC)nc(C(C)(C)C)n2)CC1 96483616 ZBVCYNLGTQRJMA-UHFFFAOYSA-N 320.437 1.979 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NC1CCCC1 9596682 IPQGAKZLAZNCLT-UHFFFAOYSA-N 312.391 1.875 0 40 DDAB CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(C)=O)c1 71853005 LODKSTLVCHVQDO-VIFPVBQESA-N 305.363 1.690 0 40 DDAB COCc1nc(C)cc(N2CCN(c3ncccc3F)CC2)n1 90144020 LRBYWBCMYMVSSR-UHFFFAOYSA-N 317.368 1.792 0 40 DDAB C[C@@H](CN(C)c1ccccc1)NS(=O)(=O)C[C@@H]1CCOC1 71890265 IFURWBDOOOOMHK-UONOGXRCSA-N 312.435 1.467 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN(C)CC(=O)NC(C)C)cc1C 7795574 MFNMTKFERJUVCJ-HNNXBMFYSA-N 319.449 1.937 0 40 DDAB COC(=O)COc1ccc(NC(=O)CCn2cccn2)cc1 69493939 OAVYPGBIHWDNEC-UHFFFAOYSA-N 303.318 1.464 0 40 DDAB O=C(Cc1ccccn1)N1CCN(C(=O)C2CCCCC2)CC1 69707938 CWAUCWUKXGJFOZ-UHFFFAOYSA-N 315.417 1.875 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)no1 18099265 MBSNAEWRJRYGQX-UHFFFAOYSA-N 312.329 1.882 0 40 DDAB Cc1cc([C@@H]2CCCN(C[C@H](O)COC[C@@H]3CCCO3)C2)n[nH]1 84111114 ISLMSSGJAJEFAJ-PMPSAXMXSA-N 323.437 1.454 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCn2c(nnc2C2CC2)C1 72268831 OYFDJMJWKXTNIS-UHFFFAOYSA-N 315.377 1.223 0 40 DDAB CC(C)(CC(N)=O)NCC(=O)N[C@H](c1ccccc1)C1CC1 96014185 GRPAQUHMDTVXKW-MRXNPFEDSA-N 303.406 1.498 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 97081844 WXOBQTQEPLOXML-LLVKDONJSA-N 300.717 1.066 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCC(C)C 72404259 FIDLXFRXLHRCDG-GFCCVEGCSA-N 313.423 1.245 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2ncccc2F)C1 84485629 DFFALYFSDUXTLB-LBPRGKRZSA-N 323.368 1.459 0 40 DDAB O=C(NCC[S@@](=O)c1ccccc1F)[C@H](O)c1ccccc1 73766401 XTJVQIWPAXHODB-QRQCRPRQSA-N 321.373 1.783 0 40 DDAB C[C@@H]1CN(c2ccc(NC(=O)NCCCO)cn2)C[C@@H](C)O1 95949490 JSXKXAWOZKWFIR-VXGBXAGGSA-N 308.382 1.199 0 40 DDAB O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CCOC1 95977558 ZSGKINXZVPZRGL-BXKDBHETSA-N 302.733 1.601 0 40 DDAB CCc1nc(CC(=O)N(CCOC)CCC(=O)O)cs1 95970051 IOGKOFZNGUIFSK-UHFFFAOYSA-N 300.380 1.198 0 40 DDAB COC(=O)[C@H](c1ccccc1)n1nc(-c2ccco2)oc1=O 95990792 ONROFXQPRAIWCN-LBPRGKRZSA-N 300.270 1.859 0 40 DDAB COC(=O)[C@]1(F)CCN(C(=O)c2ccc(Br)o2)C1 74497696 YOOPLQHCEYOWJT-NSHDSACASA-N 320.114 1.769 0 40 DDAB C[C@@H]1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)C[C@@H](C)C1 89929918 HWXWQRPKUHMXEX-NEPJUHHUSA-N 304.456 1.887 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1 75606505 RCFVSSXIOBQMLL-LSDHHAIUSA-N 320.437 1.309 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@H]3CCCCN3C)CCO2)n1 76046651 FTCSYVVSVPMWBX-CHWSQXEVSA-N 321.425 1.141 0 40 DDAB CN(C)c1ncccc1CNC(=O)NCC[C@H](O)C(F)(F)F 76018129 LMZSDZGXHSISSN-JTQLQIEISA-N 320.315 1.260 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(O)cc1 408673599 UBSXWRKITMWVBO-NBLIUIFLSA-N 314.341 1.362 0 40 DDAB Cn1c(CC(F)(F)F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 514860707 RYXMFTLMKXSSJD-NXEZZACHSA-N 304.316 1.783 0 40 DDAB Cc1cc(C)c(OCC(=O)N(C)C[C@H](C)c2nnn[nH]2)c(C)c1 187306309 DHQUSVCYJYYHKO-ZDUSSCGKSA-N 317.393 1.766 0 40 DDAB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@H]1NC(=O)CN 79409439 XBCZCPFWDWBVTK-OLZOCXBDSA-N 311.426 1.772 0 40 DDAB COc1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)cn1 71285840 CZFSVVNQSXKAHB-UHFFFAOYSA-N 313.313 1.454 0 40 DDAB Cc1ncc(CNC(=O)c2ccc(NC(C)C)nc2)c(=N)[nH]1 567955205 XBXOITNXLYBEHU-UHFFFAOYSA-N 300.366 1.343 0 40 DDAB CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(=O)[nH]n1 184129759 IOJSICQCRKRNSZ-CYBMUJFWSA-N 312.373 1.511 0 40 DDAB CCCC[Sn]12OCCN(CCO1)CCO2 195996347 KKTDQQOREFWRBZ-UHFFFAOYSA-N 321.993 1.104 0 40 DDAB COCCC(=O)N1CCCN(Cc2nccn2C(C)C)CC1 69876361 YVGDHYQQGRAZHH-UHFFFAOYSA-N 308.426 1.535 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 45957870 NROGTTDNFQSLFM-CQSZACIVSA-N 318.373 1.045 0 40 DDAB CCN(CCNC(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 69537590 NFPCFYSHHRNYHE-LLVKDONJSA-N 309.435 1.467 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1 68539614 SMGZTTVPADQIOI-CHWSQXEVSA-N 320.389 1.654 0 40 DDAB COc1ccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 49551820 COFMNRCERIKATE-NSHDSACASA-N 308.359 1.212 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccsc2)C1 225809017 QOWRYNFBGMESQH-GFCCVEGCSA-N 319.386 1.769 0 40 DDAB C[C@]1(NC(=O)C2=Cc3ccccc3OC2)CCS(=O)(=O)C1 40464803 WDMURMRFSCRYPH-HNNXBMFYSA-N 307.371 1.156 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCCN2C(=O)NC(C)(C)C2=O)c1 69490825 CNDMAIIPHALWQV-VXGBXAGGSA-N 307.398 1.061 0 40 DDAB COc1ccc([C@@H]2[C@@H](CNC(=O)C(C)(C)O)CCCN2C)cc1 225432956 SPPYYRYQOZAFND-GDBMZVCRSA-N 320.433 1.965 0 40 DDAB COc1c(O)cc2c(c1O)[C@@]13CCN[C@@H](C2)[C@@H]1CCC(=O)C3 144855621 FFLTYVGPWSBCLC-NVGCLXPQSA-N 303.358 1.631 0 40 DDAB biogenic,in-vitro O=C(Cc1ccccc1Cl)N1CC(N2C(=O)CCC2=O)C1 238965685 YXXMJMIAEUIMHN-UHFFFAOYSA-N 306.749 1.242 0 40 DDAB NC(=S)c1sc(=S)n(CCCN2CCOCC2)c1N 96346205 VKGHYEQZPZAGBQ-UHFFFAOYSA-N 318.493 1.218 0 40 DDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3[C@H]2CCOC2)cs1 96184059 UBYGXJYCSUBXCW-MJBXVCDLSA-N 307.419 1.416 0 40 DDAB COc1cccc(CN2C[C@H]3CC[C@@]4(N=C(C)NC4=O)[C@H]3C2)c1 96261393 GEGLMTZCJYRCIN-UWWQBHOKSA-N 313.401 1.824 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1ncn2C 624496302 ORFRFEFLABPPMI-UHFFFAOYSA-N 311.345 1.771 0 40 DDAB NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)ccc1Cl 96428520 YUYSJDQESCXFQR-PSASIEDQSA-N 320.773 1.411 0 40 DDAB COCCN1CCC2(CC1)C[C@@H](NC(=O)c1cccs1)CO2 96221265 WTVBZXPCBZNXRK-CYBMUJFWSA-N 324.446 1.748 0 40 DDAB CS(=O)(=O)CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 96414973 VMONHUVDAPPZCW-CYBMUJFWSA-N 313.394 1.765 0 40 DDAB c1cncc(-c2c[nH]c([C@@H]3COCCN3Cc3ncc[nH]3)n2)c1 96296182 NPLOTAJWVQQUDS-AWEZNQCLSA-N 310.361 1.768 0 40 DDAB biogenic,in-vitro CC(C)NC(=O)N1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 96111736 DWMDUGPEGYZPNN-AAEUAGOBSA-N 303.362 1.603 0 40 DDAB biogenic,in-vitro Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)N2CCCC2)cn1 96184636 OWENNINYTMVVNG-LSDHHAIUSA-N 303.410 1.285 0 40 DDAB CCCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1 96112982 XYPLFMPLIUZULG-LSDHHAIUSA-N 303.406 1.464 0 40 DDAB biogenic,in-vitro Cc1cnc(N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)nc1 96080682 XIQBSIIYPCIUTP-CABCVRRESA-N 309.373 1.275 0 40 DDAB CN1CCN(c2ncnc3c2CCN(c2ccccc2)CC3)CC1 96255688 HBWNEZLQWUSDBI-UHFFFAOYSA-N 323.444 1.834 0 40 DDAB CCOCC(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96066857 UHEJLURFKIKUEH-CQSZACIVSA-N 307.394 1.305 0 40 DDAB CS(=O)(=O)CCN1CCC(NC[C@H]2CC=CCC2)CC1 95433999 LGDOTJYELBTFNZ-AWEZNQCLSA-N 300.468 1.441 0 40 DDAB O=C(NCC[S@](=O)Cc1ccccc1)N1CCSCC1 96408926 NXVCCCSQTDTCAB-HXUWFJFHSA-N 312.460 1.694 0 40 DDAB O=C(O)[C@@H]1C[C@H](N2CCCC2)CCN1C(=O)Cc1ccsc1 96069052 UCNJBICUHSVSST-KGLIPLIRSA-N 322.430 1.831 0 40 DDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCC3)C2)o1 248107428 POKIKSBNQRIWBB-HNNXBMFYSA-N 314.389 1.964 0 40 DDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1scnc1C)C2 248015965 HOJIHRSKXPZBKY-LLVKDONJSA-N 316.448 1.087 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cnco1 257241400 HXYBVGGIDZSGRJ-LBPRGKRZSA-N 302.334 1.247 0 40 DDAB C[C@@H](O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1 69947230 CDLWVRXZQWMHHI-CYBMUJFWSA-N 303.381 1.872 0 40 DDAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccon3)CC2)cn1 257237208 HFORVDAEIQQPRA-GFCCVEGCSA-N 315.377 1.991 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1 257234866 GVKNJFHCJWLLBA-AWEZNQCLSA-N 310.419 1.621 0 40 DDAB Cn1ccc(CN2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 257210117 BTFPYTDDLWAIIH-IAGOWNOFSA-N 301.390 1.824 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc(C)n1 257209385 BQDXADRBLCLILJ-ZDUSSCGKSA-N 300.366 1.538 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 252515166 HSKRTJBWZWQIEF-MGPQQGTHSA-N 317.838 1.832 0 40 DDAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCc2ccnn2C)C1 257283092 OWSVUAUSSSRQJZ-ZDUSSCGKSA-N 301.394 1.790 0 40 DDAB C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C[C@H]1C 252497667 QMNUKZACAZEFBU-OWYFMNJBSA-N 309.454 1.926 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCc2cccc3c2OCCO3)c1 70018485 LTUWWDWXJOJLPU-UHFFFAOYSA-N 300.314 1.919 0 40 DDAB CCN[C@@H]1CCOC2(CCN(C(=O)c3coc(C)n3)CC2)C1 257304495 SLXZNDQJJZJKGH-CYBMUJFWSA-N 307.394 1.746 0 40 DDAB Cc1c[nH]c([C@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)n1 257248800 JFFYZEWZIZHNFK-CQSZACIVSA-N 301.346 1.990 0 40 DDAB CCc1cc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)on1 257330754 XPTCIZGDHOCFLI-AWEZNQCLSA-N 316.361 1.501 0 40 DDAB C[C@@H](O)CNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 257173050 BOXVZEJWXNKERD-CYBMUJFWSA-N 317.389 1.743 0 40 DDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2cscn2)CCO1 257223726 DYPVIUMZYWBHJR-LLVKDONJSA-N 319.390 1.213 0 40 DDAB CC(=O)N1[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257251193 JPUGZITWLPHUCY-QSJFSLAZSA-N 316.405 1.274 0 40 DDAB CC(C)(C)CCS(=O)(=O)N1CCN(c2ncccn2)CC1 264941582 IMQASQNKAPUJSE-UHFFFAOYSA-N 312.439 1.365 0 40 DDAB Cc1nc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)cs1 96124378 QHVAVAXTNLAWIP-UHFFFAOYSA-N 308.388 1.836 0 40 DDAB C[C@@]1(NCCNCc2cccc(Cl)c2)CCS(=O)(=O)C1 575423065 XWVMNLKDVMONJR-CQSZACIVSA-N 316.854 1.596 0 40 DDAB C=CC(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1 585292796 SHLBPEBNWVRRFW-LBPRGKRZSA-N 310.361 1.902 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1Cc1cnn(C(C)C)c1 585094598 DODPQUSXZNNKCS-CQSZACIVSA-N 303.410 1.771 0 40 DDAB O=C(Cc1cnc[nH]1)N1CC[C@](O)(COc2cccc(F)c2)C1 585278352 REWDYWWLMIOMIB-MRXNPFEDSA-N 319.336 1.134 0 40 DDAB CCOc1ncccc1C(=O)N1CC[C@]2(CCCO2)C(=O)C1 585290084 ZSPCLXWIRCQLEH-MRXNPFEDSA-N 304.346 1.445 0 40 DDAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCS(=O)(=O)C1 44894800 CUDXBQGYFGPPPH-VIFPVBQESA-N 314.432 1.785 0 40 DDAB Cc1cccc(C(=O)NCc2noc([C@@H]3CCC(=O)N3C)n2)c1 1775963935 KPAMFULSLWNYIA-LBPRGKRZSA-N 314.345 1.601 0 40 DDAB biogenic,in-vitro CCc1cnc(OC2CCN(Cc3noc(C)n3)CC2)nc1 1776008706 NALUNPIVAAVMPG-UHFFFAOYSA-N 303.366 1.774 0 40 DDAB CC(C)C[C@@H](NC(=O)Nc1cccnc1)C(=O)Nc1cc[nH]n1 78752415 XSKYLAWIRMRUOK-GFCCVEGCSA-N 316.365 1.980 0 40 DDAB CCOc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 61649112 NWDVLQNEYLQIJE-GOEBONIOSA-N 304.390 1.678 0 40 DDAB CCN1OC2(CCN(C(=O)COc3ccccc3)CC2)CC1=O 1549162914 WXNWPQCBYUDTNW-UHFFFAOYSA-N 318.373 1.610 0 40 DDAB Cn1cnc2c(NC[C@@](C)(O)Cc3ccsc3)ncnc21 1775971920 YJGKQPVIFVEBAQ-AWEZNQCLSA-N 303.391 1.830 0 40 DDAB CO[C@H]1CCC[C@H]2O[C@@]3(OC)[C@H](CCC[C@H]3OC)O[C@@]12OC 5574152 UNVDUVYQZLAAOQ-ZUISRVRFSA-N 316.394 1.854 0 40 DDAB CC[C@H](C)NC(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O 12182791 RHMBEZJRSGNDBQ-VIFPVBQESA-N 304.350 1.309 0 40 DDAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)O)c2nn1C 12398126 CBKFTKOZRPVHSW-UHFFFAOYSA-N 303.240 1.537 0 40 DDAB C[C@@H]1NC(=S)N(Cc2ccc(N3CCCC3=O)cc2)C1=O 14121151 LHXVMOCTZIIJPT-JTQLQIEISA-N 303.387 1.419 0 40 DDAB CC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 15590702 PYGXBLWSMZMAHN-UHFFFAOYSA-N 318.826 1.733 0 40 DDAB COc1cc(C=O)ccc1OC(=O)/C=C1\SC(=O)NC1=O 16711957 DGZPDNKMUPCIHG-YHYXMXQVSA-N 307.283 1.280 0 40 DDAB Cc1cccn2c(O)c(C(=O)NCc3ccccn3)c(=O)nc12 164571402 GPTCMPMHNMUJKK-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB COC(=O)c1ccc(-c2nc(Cc3noc(C)n3)no2)cc1 78774056 BNUJFGCUSIQXFG-UHFFFAOYSA-N 300.274 1.805 0 40 DDAB Cc1nc(C(F)F)cc(N2CCN(Cc3noc(C)n3)CC2)n1 1888843730 YPOKOJIAHKLRCB-UHFFFAOYSA-N 324.335 1.736 0 40 DDAB COC(=O)c1ccc(Cn2nc(-c3cccs3)oc2=O)o1 20959923 YNNUUGLUJKTGKI-UHFFFAOYSA-N 306.299 1.993 0 40 DDAB CCOCC(=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037912940 FJKFDUAEVTUWCI-KRWDZBQOSA-N 307.390 1.846 0 40 DDAB CO[C@H]([C@@H]1CCCN1)[C@H](C)C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 504431602 PHUURGQFDDGNRU-AYIQCDPPSA-N 320.433 1.628 0 40 DDAB O=C([C@H]1CN(c2ccccn2)CCO1)N1CCC(F)(F)CC1 2087126098 DPOJZAQKMKPQSK-GFCCVEGCSA-N 311.332 1.545 0 40 DDAB COCCN1CCO[C@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@H]21 1565544987 BHYBXUPSYWAELO-VYDXJSESSA-N 308.422 1.291 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1cc(C3CC3)on1)C2 1365598702 WNNHIBOQMDXFNJ-UHFFFAOYSA-N 305.378 1.346 0 40 DDAB COc1ccccc1CNC(=O)c1nnn(-c2ccccc2)c1N 424308 IEPQODJCZUYZRD-UHFFFAOYSA-N 323.356 1.788 0 40 DDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1nnc2ccccc2c1=O 3618041 MGUHAHRBBJKOBI-MBNYWOFBSA-N 314.389 1.732 0 40 DDAB Cc1ccc(N(C(=O)[C@@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1 4165298 VSRJBZMELHQYPR-CABCVRRESA-N 321.398 1.818 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1ccc(CC)cc1)OCC 4583729 XOECPAGXZONKFX-UHFFFAOYSA-N 308.378 1.703 0 40 DDAB O=C(Cc1cccs1)N1C[C@H]2O[C@@H](C1)C[C@]21CCCNC1=O 503808026 QSLMDTGREHRILS-AXAPSJFSSA-N 320.414 1.187 0 40 DDAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)[C@H]1CCOC1 245108437 SXALNIRWKJFKEO-XHDPSFHLSA-N 307.371 1.730 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2F)c[nH]1 40230307 SHPOFMCOZTYSOB-UHFFFAOYSA-N 302.258 1.792 0 40 DDAB OCC[C@@H]1CN(C2CCOCC2)CCN1CCc1ccccc1 20452956 MLMUDCFJNVBRIM-LJQANCHMSA-N 318.461 1.777 0 40 DDAB Cc1cc(Br)oc1C(=O)NCCN1CCOCC1 40549709 HGYCZHKLMSNBDB-UHFFFAOYSA-N 317.183 1.413 0 40 DDAB COc1ccccc1C1=NO[C@H](C(=O)Nc2cc(C)nn2C)C1 20614167 SHRCIJICOGPVBM-AWEZNQCLSA-N 314.345 1.869 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(C)cc1 32736741 GCTXTXNBONPBCX-CYBMUJFWSA-N 304.390 1.989 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccco2)C1 33028083 HWEVZHYJPZZTQF-GFCCVEGCSA-N 322.361 1.201 0 40 DDAB COC(=O)[C@](O)(c1ccccc1)[C@@H]1C(=O)N(C)c2ccccc21 103545214 OHZMQWAFNSGLKZ-YJBOKZPZSA-N 311.337 1.807 0 40 DDAB Cn1c(=O)c2[nH]c(-c3ccccc3Cl)c(O)c2n(C)c1=O 297693 WPRCFMLKLUWJTI-UHFFFAOYSA-N 305.721 1.591 0 40 DDAB O=C1CCC(=O)N1c1ccc(N2C(=O)CCC2=O)c(Cl)c1 312186 NYFQATOAGMCRLE-UHFFFAOYSA-N 306.705 1.647 0 40 DDAB Cc1cnn(CC(=O)NC[C@H](C)N2CCc3sccc3C2)c1 55295865 AZCSOGNHFRYJCO-ZDUSSCGKSA-N 318.446 1.816 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 3281823 PAUCQAGPQVWROA-SNVBAGLBSA-N 307.368 1.310 0 40 DDAB CC(=O)N1CC2(C(C)C)CN(C(C)=O)CC(C(C)C)(C1)C2O 779459 ZKPBOLSWYFTLMC-UHFFFAOYSA-N 310.438 1.356 0 40 DDAB CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1C 905185 TZKIXSJKFGHYFY-UHFFFAOYSA-N 305.407 1.838 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@H]2CCCC[C@H]21 106583286 JKWIIHAEGFCRCG-IMJJTQAJSA-N 316.401 1.975 0 40 DDAB CCC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1579635 UZHWJZICZBCMQG-OCCSQVGLSA-N 303.362 1.407 0 40 DDAB Cc1ccc(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c(C)c1 25299877 BCAWPVZLIPENAK-HNNXBMFYSA-N 308.422 1.500 0 40 DDAB CC(C)C(=O)C[C@@H](c1ccccc1)C1C(=O)NC(=O)NC1=O 3106578 UDFFIQZWYPEUFJ-NSHDSACASA-N 302.330 1.368 0 40 DDAB CC(=O)N[C@H]1CCCN(Cc2csc(-c3ncccn3)n2)C1 58157328 XLPIKHLCFBKMOW-LBPRGKRZSA-N 317.418 1.701 0 40 DDAB O=C(Nc1nnc([C@H]2CCCO2)o1)[C@@H]1COc2ccccc2O1 10971056 UIWAQSAQMJKUBT-NEPJUHHUSA-N 317.301 1.700 0 40 DDAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(SC)cc1)C(C)C 58210185 IBTHODIQSOSLKB-LBPRGKRZSA-N 317.432 1.884 0 40 DDAB Nc1nc(SCCCc2nnnn2-c2ccccc2)n[nH]1 58218746 CZYZPUGCMGCSST-UHFFFAOYSA-N 302.367 1.088 0 40 DDAB Cc1ccc(CN(C(=O)N[C@H]2CCCCNC2=O)C2CC2)o1 44968070 LXPWTCIPCUMJNW-AWEZNQCLSA-N 305.378 1.931 0 40 DDAB Cn1ccc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1=O 44919194 AMTPVGJAEDSRAX-CYBMUJFWSA-N 306.749 1.502 0 40 DDAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(C(N)=O)cc1 44914411 OJZYIMZPLIXQQM-JTQLQIEISA-N 308.359 1.288 0 40 DDAB COC(=O)c1c(CC(=O)NC[C@H]2CCCO2)[nH]c(C(C)=O)c1C 58356564 JQNXVYXUNGTLFV-LLVKDONJSA-N 322.361 1.150 0 40 DDAB Cc1nc(O)c2c(n1)CCN(C(=O)C1[C@@H]3[C@@H]1[C@@H]1CC[C@@H]3C1)CC2 100213769 FSQJDEQIJMGPLA-FIXIBIHLSA-N 313.401 1.710 0 40 DDAB C[C@H](NC(=O)CSc1ncnc2c1cnn2C)c1ccco1 11684695 FOZQYIQCUOUNGF-VIFPVBQESA-N 317.374 1.926 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN(C)S(C)(=O)=O)o1 47642738 MURSFRSEFYGNEL-PWSUYJOCSA-N 314.407 1.253 0 40 DDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccncc1 48324776 OTBMLNRRGUASKB-AWEZNQCLSA-N 317.414 1.946 0 40 DDAB Cc1cc(COC(=O)c2csc(S(N)(=O)=O)c2)no1 21839422 SWTQZVDZTSMPSI-UHFFFAOYSA-N 302.333 1.049 0 40 DDAB Cn1cc(S(=O)(=O)Oc2ccc(Br)cc2)cn1 48659884 NFWSSXYLIAXXRW-UHFFFAOYSA-N 317.164 1.950 0 40 DDAB CCCCn1c(SCC(=O)Nc2cc(C)no2)n[nH]c1=O 13006199 IASXLICLLUZEHK-UHFFFAOYSA-N 311.367 1.399 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)C(C)C 9313956 BZOGXUTZGMKMPH-SWLSCSKDSA-N 306.362 1.103 0 40 DDAB C[C@H](O)CNc1nc(N2CCOCC2)nc2c1SCCC2 9341056 UDAIWDSNIVAHCH-JTQLQIEISA-N 310.423 1.144 0 40 DDAB COC(=O)[C@@](O)(CC(=O)c1ccc(OC)cc1)C(F)(F)F 4099253 ROVPZRAZJPITKN-LBPRGKRZSA-N 306.236 1.734 0 40 DDAB CC(C)N1CCN(CCn2ccnc2-c2nccn2C)CC1 71745633 PRKOHORRAMFPKW-UHFFFAOYSA-N 302.426 1.310 0 40 DDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCC1 4398265 IDQHNHLQZJPZCX-UHFFFAOYSA-N 301.346 1.989 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccco1 5292226 GPMVAXLBXMMAOP-UHFFFAOYSA-N 305.334 1.151 0 40 DDAB O=C(c1ccc(O)nc1)N1CCCN(C[C@H]2CCCO2)CC1 65452367 UFCSEQGPQSJFHA-CQSZACIVSA-N 305.378 1.114 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H](N2CCCC2)C1 65418965 UWSJWMRCIDKUTB-CABCVRRESA-N 305.426 1.541 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@H](O)COc1ccc(F)cc1 14135281 LBBVUMLYXXSLFU-LBPRGKRZSA-N 315.300 1.862 0 40 DDAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)C(=O)N1CCCC1 6764578 HMOBSBAYQXSRPC-UHFFFAOYSA-N 322.386 1.886 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN1CSCC1=O 71870325 KCSPJBCHAJHTJC-LBPRGKRZSA-N 322.434 1.233 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CN(C)c1ccc(Cl)cn1 71830107 NHPQAAGANOSBNT-WDEREUQCSA-N 324.812 1.284 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)NCCS(C)(=O)=O)c(C)c1 66598182 VOVUQACBLDFWFQ-ZDUSSCGKSA-N 312.435 1.578 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)c1 71869890 VFDCRNXOEOJIAY-LBPRGKRZSA-N 318.402 1.657 0 40 DDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 7054421 WCLBWBSPWZQEOL-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB Cc1ccc(Br)c(NCC(=O)N2CCNC2=O)c1 90084596 MCPDJFAZZXHJQT-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB COc1ccc(O[C@H](C)C(=O)NC2(CC(=O)O)CCC2)cc1 95408880 GHLJZDMWWPEQID-LLVKDONJSA-N 307.346 1.976 0 40 DDAB CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 7437252 LEEGTNDILYBJPN-CQSZACIVSA-N 322.380 1.717 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)NCCn1cccc1 80792687 LWVLITWNUBFPFN-UHFFFAOYSA-N 310.357 1.405 0 40 DDAB biogenic NC(=O)[C@@H]1CCCN1c1ccc2nnc(-c3ccccc3)n2n1 71904059 BCWHBIJGYQRDFK-LBPRGKRZSA-N 308.345 1.245 0 40 DDAB CN1CCC(N(C)CCN(C)C(=O)/C=C/c2ccncc2)CC1 71904003 WNHHQRLAWGNBCA-SNAWJCMRSA-N 316.449 1.579 0 40 DDAB CCOc1ccc(CC(=O)NN2CCN(C)CC2)cc1OCC 17055824 DRNWSCLRPQUMPM-UHFFFAOYSA-N 321.421 1.305 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)Cn1c(=O)oc2ccccc21 69419099 MZQOEFVQBHVJPO-UHFFFAOYSA-N 300.318 1.584 0 40 DDAB CN1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 8428390 WADXTMYGDJRBLI-UHFFFAOYSA-N 301.390 1.197 0 40 DDAB CCc1nnc2n1C[C@H](CNc1nn3cc(C)nc3s1)CC2 69560923 ZRHUQKGCPBUCMD-JTQLQIEISA-N 317.422 1.928 0 40 DDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cnn(C)c1 69744314 FSTPPICQVZELDC-MRXNPFEDSA-N 317.345 1.161 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 69772107 MIDJIVKTVGCPOS-HOTGVXAUSA-N 302.418 1.705 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCC1CCCCC1 17780141 DJBZEOOJDOOIHU-KBPBESRZSA-N 304.390 1.634 0 40 DDAB CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(N)=O)C1 69819062 VOXCJKWGQKAFNW-STQMWFEESA-N 323.437 1.138 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)C2 87353090 PKBWWPVOXVNPQB-UONOGXRCSA-N 304.390 1.623 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CCS1 69980610 HUIFVFSOUHYDMP-QWRGUYRKSA-N 316.492 1.898 0 40 DDAB Cc1nn(C)cc1CNC(=O)Nc1ccc(C(N)=O)c(Cl)c1 96012668 AIPYCOFDARBCFP-UHFFFAOYSA-N 321.768 1.803 0 40 DDAB CN1CCO[C@H](C(=O)NCc2cn(C)nc2-c2ccccc2)C1 96008188 AGJISDAJTUFUOX-HNNXBMFYSA-N 314.389 1.034 0 40 DDAB O=C(NC[C@H]1COCCO1)N1CCO[C@H](c2ccccc2)C1 84525591 BJKAGSFIWGOKGZ-GJZGRUSLSA-N 306.362 1.185 0 40 DDAB O=C(NCc1ccc[nH]1)[C@H]1CCCN1C(=O)Cc1ccccc1 74123627 KOISTBLMQAKNSV-MRXNPFEDSA-N 311.385 1.865 0 40 DDAB CCc1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)cc1 89284908 ZYMFLZZHWWYVOS-HNNXBMFYSA-N 316.405 1.015 0 40 DDAB COc1cccc2c1CCCCN2C(=O)[C@H]1CC(=O)N(C)C1 89374862 XQRBDHAKERVUEF-LBPRGKRZSA-N 302.374 1.843 0 40 DDAB O=C(NCc1ccn(-c2ccccc2)n1)NC1(CO)CCCC1 89857617 ZNHUBUBBXSTVLJ-UHFFFAOYSA-N 314.389 1.977 0 40 DDAB O=C(NC1CC1)C1CCN(c2nccc(C(F)(F)F)n2)CC1 54837589 XYXCNNMXYRBQSS-UHFFFAOYSA-N 314.311 1.990 0 40 DDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)OCc1ccccc1 29907262 SOOYLZNVHGQXEI-UHFFFAOYSA-N 310.309 1.433 0 40 DDAB C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C[C@H]1COCC(C)(C)O1 1550775782 ARRUYHRLVSQDEP-KFWWJZLASA-N 310.438 1.656 0 40 DDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)N(C)C)C3)n1 306141898 WJOPEBGTUZVTNU-HNNXBMFYSA-N 319.405 1.822 0 40 DDAB O=C1CC[C@H](Nc2nnc(C(F)F)o2)[C@H]([C@H]2CCCO2)N1 517212969 DMWZXSQSVPRYCA-LKEWCRSYSA-N 302.281 1.245 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)NC[C@H](O)[C@H]2CCCO2)cc1 529761433 CJXILJPLDAQIDP-UONOGXRCSA-N 316.357 1.920 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCC(c1ccco1)c1ccco1 675007856 VWWRWMCVRYCSLS-UHFFFAOYSA-N 316.313 1.270 0 40 DDAB CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 35758680 CFQLLCMNTDCVIF-UHFFFAOYSA-N 324.324 1.521 0 40 DDAB CC[C@@](C)(CO)NC(=O)c1cc(-c2ccccc2OC)n[nH]1 183362239 YMQOWWHEVBUCTN-INIZCTEOSA-N 303.362 1.976 0 40 DDAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 74734184 BXBOAMNASZRVBW-CYBMUJFWSA-N 306.387 1.335 0 40 DDAB CCC(CC)(CO)C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 563896956 PMGMQYWZGVLYJR-NWDGAFQWSA-N 311.382 1.465 0 40 DDAB CC(C)(C(=O)N1CCC[C@@H](c2cnccn2)C1)n1cncn1 72369385 FFROLULSFXYMOF-GFCCVEGCSA-N 300.366 1.209 0 40 DDAB O=C(O)CNC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79391522 JZXBSCBRIMEDOD-AWEZNQCLSA-N 306.362 1.852 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)c2c(O)cccc2F)C[C@H]1C 130626097 HZLKKIQJRSDZPB-TXEJJXNPSA-N 310.369 1.713 0 40 DDAB NC(=O)CS[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41105023 GMDHJVNDIAUVFJ-NSHDSACASA-N 323.418 1.248 0 40 DDAB O=C(NC[C@H]1CNCCO1)c1ccc(OC(F)(F)F)cc1 131136550 MZJCSGOFVGAKLE-LLVKDONJSA-N 304.268 1.303 0 40 DDAB CCC(=O)NC[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 85435916 BBZFHMKSMOAVOB-MELADBBJSA-N 324.421 1.949 0 40 DDAB biogenic,in-vitro Cc1nc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)cs1 225451819 AXAHBWGGDHLZDS-LLVKDONJSA-N 304.375 1.925 0 40 DDAB CCc1nnsc1C(=O)N[C@H]1Cc2ccccc2NC1=O 529950638 DICCGFDIIMRPHI-NSHDSACASA-N 302.359 1.394 0 40 DDAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(C=O)CC1 44902086 IDLIKMLOVINJBM-AWEZNQCLSA-N 304.390 1.878 0 40 DDAB CC(C)Nc1nc(NCCO)nc(N(C)Cc2cscn2)n1 225818389 IIKLRTWLGNXUFT-UHFFFAOYSA-N 323.426 1.189 0 40 DDAB CNS(=O)(=O)CC(=O)NC(C)(C)c1ccc(F)cc1Cl 83610365 WXBRAFOMVYIUHL-UHFFFAOYSA-N 322.789 1.380 0 40 DDAB Cc1ccnn1-c1ccc(C(=O)N2CCn3c(C)nnc3C2)cc1 69458710 OUFNWRHAVVGARM-UHFFFAOYSA-N 322.372 1.737 0 40 DDAB Cc1ccccc1CC(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802490 IFJZGUOUTRJSQC-UHFFFAOYSA-N 324.340 1.592 0 40 DDAB CCc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)[nH]n1 96421687 QXZWGZFYRXZXMT-OAHLLOKOSA-N 314.389 1.812 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1 96038673 UFLLJAUEEMEXPG-NVXWUHKLSA-N 321.421 1.797 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96219241 FJFWYYUUXGVLKH-MLGOLLRUSA-N 322.384 1.984 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 96432131 IGQNOMMHTIQXJI-TZMCWYRMSA-N 312.373 1.528 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](O)[C@H]1Cc1cccnc1 96200461 PCYQRTBSGQUMHF-IAGOWNOFSA-N 314.360 1.968 0 40 DDAB CS(=O)(=O)CCn1ccc(NC(=O)CC2CCCCC2)n1 96420427 ABKUDZVXUMRBBI-UHFFFAOYSA-N 313.423 1.837 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3cccs3)C2)C1 96051921 AITYZCRPJUQZFC-GOEBONIOSA-N 310.463 1.917 0 40 DDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN([C@H]1CCOC1)CC2 96069805 PCUQNZOMERBBOM-HOTGVXAUSA-N 315.417 1.651 0 40 DDAB COCCS(=O)(=O)NC1CCN(c2cccc(F)c2)CC1 96415058 XVVAHNVRGBFECT-UHFFFAOYSA-N 316.398 1.360 0 40 DDAB Cn1cc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cn1 96058079 JTJJHFDDGVHJOW-ULQDDVLXSA-N 314.389 1.626 0 40 DDAB COc1ncnc2c1CN(CC(=O)NCc1cccs1)CC2 97202603 VYCCESQHBBMDKP-UHFFFAOYSA-N 318.402 1.221 0 40 DDAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(C1CCC1)C2 248000679 NQFJLAZTKUFKPW-CQSZACIVSA-N 310.438 1.515 0 40 DDAB CN(C)CCCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69809901 ORCGRZRQCRWKQA-UHFFFAOYSA-N 321.469 1.186 0 40 DDAB CCCS(=O)(=O)N1CCN(C[C@H](O)c2cccs2)CC1 85467260 ZJLWJJIOAZEVLI-LBPRGKRZSA-N 318.464 1.139 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3cscn3)CCO2)nc(C)n1 257273136 NFJZCQUKZFNXBX-ZDUSSCGKSA-N 304.375 1.764 0 40 DDAB CCN[C@@H]1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1 257309268 UAHHZLISIFUBCU-CYBMUJFWSA-N 304.394 1.240 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2csc(C)n2)CCO1 257321942 WDYWBZZAMFHQSK-LBPRGKRZSA-N 305.407 1.857 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257285204 PGCGRNKXYZPNBE-CYBMUJFWSA-N 303.366 1.295 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ccncn3)CCO2)n1 257322990 WIHWCZDOUUESDR-AWEZNQCLSA-N 313.361 1.151 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2c2ccnc(C)n2)n1 257233847 GQZKPSXLUBJNFN-HNNXBMFYSA-N 312.377 1.553 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2nccnc2N)n1 70012052 WCXWPWKJOPYIAF-CYBMUJFWSA-N 314.393 1.567 0 40 DDAB CCOc1nnc(CN(C)CC2CCN(CCO)CC2)s1 70011711 LAUFOFZKWFJUSN-UHFFFAOYSA-N 314.455 1.073 0 40 DDAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 585112404 PBRCKFDEEQCLID-AWEZNQCLSA-N 312.439 1.075 0 40 DDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCc1cccc(Cl)c1 585280413 IBTXRFAUEPXSJG-INIZCTEOSA-N 324.808 1.720 0 40 DDAB Cc1nnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nccn12 491391181 FELJTQVWKLNWIX-UHFFFAOYSA-N 318.381 1.490 0 40 DDAB CN1C[C@H](COc2cccnc2)CC12CN(c1ncccn1)C2 585093885 MOPLGUPLMWAMFF-CQSZACIVSA-N 311.389 1.461 0 40 DDAB CCOCC(=O)N1CCc2ncc(-c3cccnc3)n2CC1 585111351 PULLAAFGYHNJRX-UHFFFAOYSA-N 300.362 1.366 0 40 DDAB CC[C@H]1C[C@H](C)CN1C(=O)CN1C(=O)NC(CC)(CC)C1=O 73322348 JBWAMWGELAKMEN-RYUDHWBXSA-N 309.410 1.744 0 40 DDAB C[C@H]1CCCN(C(=O)Cn2nc(-c3cccs3)oc2=O)C1 44871480 HYTUVWBDVZWZOC-JTQLQIEISA-N 307.375 1.823 0 40 DDAB OCCN1CCN(C[C@@H](O)c2cc(Cl)ccc2Cl)CC1 51091338 NMHNOGHOESIINF-CQSZACIVSA-N 319.232 1.637 0 40 DDAB CNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 54950805 GYLZAYJBTDFJFW-CYBMUJFWSA-N 323.393 1.006 0 40 DDAB CN(CCCNC(=O)CCn1cncn1)Cc1ccccc1 55541806 OXDYNRGRJDAYET-UHFFFAOYSA-N 301.394 1.307 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C[C@H](O)c3ccccc3C)CCO2)n1 84235172 LKQNGQRUKNHEIB-GJZGRUSLSA-N 302.378 1.528 0 40 DDAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F 95432111 UKEIQJWVNXHFIY-WRWORJQWSA-N 308.325 1.510 0 40 DDAB CCOC(=O)[C@@H](Sc1nnc2nc(O)c(C)nn12)C(C)C 95414357 WWUYCOZIMLSLQL-QMMMGPOBSA-N 311.367 1.213 0 40 DDAB Cc1cc(C(=O)NCc2ccccn2)ccc1NS(C)(=O)=O 13679973 CRGRQPNWHZFTTQ-UHFFFAOYSA-N 319.386 1.692 0 40 DDAB COC(=O)CC1=N[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1O 16607962 FKJPBMDSUUXDGP-UONOGXRCSA-N 300.318 1.551 0 40 DDAB FC(F)(F)c1cccc(Nc2nc3nonc3n3nnnc23)c1 5338061 MXRJMUHHGCUOFN-UHFFFAOYSA-N 322.210 1.818 0 40 DDAB CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)n1C)S[C@@H](C)C2 250207 PSZOLPRNYXACCX-JGVFFNPUSA-N 314.432 1.861 0 40 DDAB O=[S@]1NN(c2ccccc2)[S@@](=O)NN1c1ccccc1 3131362 YVTAKMRIUQIVMZ-WOJBJXKFSA-N 308.388 1.180 0 40 DDAB CCC[C@H](NC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)O 4061940 NYRZXCKYQUEKOL-LBPRGKRZSA-N 319.313 1.411 0 40 DDAB biogenic COC[C@H](C)NS(=O)(=O)c1ccccc1Br 5120679 SNAIUCZYPRKWSU-QMMMGPOBSA-N 308.197 1.762 0 40 DDAB Cc1nnc2c(N3CC[C@H](C(=O)NC(C)(C)C)C3)nccn12 1889084241 QHDOIKUUKCWYQI-NSHDSACASA-N 302.382 1.174 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@H](C(=O)NC4CCC4)O[C@H]3C2)C1 1565548421 CPWAMTCICFOONP-UZRLDEKKSA-N 320.433 1.707 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCC1 424143 QBLCORXGZUIFTQ-UHFFFAOYSA-N 301.346 1.139 0 40 DDAB O=C1NCCOc2ccc(NS(=O)(=O)c3ccccc3)cc21 8961784 VCTFZMYGKSGXPW-UHFFFAOYSA-N 318.354 1.610 0 40 DDAB C=CC(=O)N1CCC[C@@](Nc2ccccc2)(C(=O)N(C)C)C1 2055771802 ZWRANRBLIXIKHP-KRWDZBQOSA-N 301.390 1.734 0 40 DDAB COc1ccc(OC)c2sc(N3CCC[C@@H]3C(N)=O)nc12 872560941 QXXOTFOOMJIYOC-MRVPVSSYSA-N 307.375 1.768 0 40 DDAB CCONC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 50171810 SEVXWDRDEHYVQW-CQSZACIVSA-N 320.389 1.762 0 40 DDAB C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc2c(c1)OCCO2 40496690 XXGCTCMPZWWKIF-LLVKDONJSA-N 314.341 1.648 0 40 DDAB COc1ccnc(NCc2cccnc2N2CCOCC2)n1 32779290 IYFMIMMRJREYTM-UHFFFAOYSA-N 301.350 1.329 0 40 DDAB COCC[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)O 52784845 GXSBEJGIXJPYBY-SECBINFHSA-N 315.709 1.288 0 40 DDAB CC(C)[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 518940 XWIKLCBUBMKYRT-OAHLLOKOSA-N 319.313 1.397 0 40 DDAB biogenic CC[C@@H](C)NC(=O)CCc1c(C)nc2c(C(N)=O)ncn2c1C 54188742 YSVAKRGGSVJRBV-SECBINFHSA-N 317.393 1.292 0 40 DDAB O=C1CCC(=O)N1CCn1nnc(-c2cccc(Cl)c2)n1 23105602 QMLFWTKGARNVKH-UHFFFAOYSA-N 305.725 1.143 0 40 DDAB Cc1nc2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc2o1 105282302 WPYUSZIPSLDSIO-LBPRGKRZSA-N 304.350 1.588 0 40 DDAB COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1COc2cc(OC)ccc2C1 58403368 BCCFDKVDTXQIAZ-AAEUAGOBSA-N 321.373 1.514 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)Nc2ccnn2C(C)C)c1 70040847 CQEMNZUOZCENPA-ZDUSSCGKSA-N 304.398 1.586 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NC2CCS(=O)(=O)CC2)c1 36396966 LRXUXRNWSLYMIF-UHFFFAOYSA-N 317.432 1.159 0 40 DDAB CNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 1332844 FIFWRSLHFRBMSV-UHFFFAOYSA-N 306.347 1.049 0 40 DDAB Nc1cc(C(=O)O)c(-c2cc(O)c(N)cc2C(=O)O)cc1O 1661218 WOHMDLCTSDBBPM-UHFFFAOYSA-N 304.258 1.326 0 40 DDAB O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 31611943 QBQASAXHWBXHMZ-LBPRGKRZSA-N 313.350 1.092 0 40 DDAB CCOC(=O)C(=O)N1N=C(C(F)(F)F)C[C@@]1(O)C(C)(C)C 4009308 MCNOBMLISLPWAN-LLVKDONJSA-N 310.272 1.435 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(=O)c2ccccc2o1 40521421 RBBCIKQRXWMRFS-LLVKDONJSA-N 300.314 1.192 0 40 DDAB CCn1c(CNCC2(C(N)=O)CCOCC2)nc2ccccc21 86250719 BZKGJIFBBZASEH-UHFFFAOYSA-N 316.405 1.428 0 40 DDAB CC[C@@H](c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1 4355877 ZXUVVEITFSGOAJ-ZDUSSCGKSA-N 308.430 1.368 0 40 DDAB O=C(Nc1ccncc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 51189841 QMTUXQWKQOZPTN-CYBMUJFWSA-N 318.377 1.184 0 40 DDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 6051080 REAXNDAWSGBSLL-SNVBAGLBSA-N 302.371 1.409 0 40 DDAB O=C1C[C@H](C(=O)N2CCCC2)CN1CCc1ccc(F)cc1 4998813 CBZQYKHHRUKEOP-AWEZNQCLSA-N 304.365 1.839 0 40 DDAB Cc1c(C(=O)OCC(=O)NC(N)=O)oc2c(Cl)cccc12 11124143 ILRFTMJEZBPMBI-UHFFFAOYSA-N 310.693 1.746 0 40 DDAB CC(=O)N[C@H]([C@@H]1C(=O)N(C)N=C1C)C(Cl)(Cl)Cl 101463756 MNOADYYQGIVNDM-RNFRBKRXSA-N 300.573 1.325 0 40 DDAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(C)nc21 36617313 ZOFASCHIRUZIAZ-UHFFFAOYSA-N 309.347 1.497 0 40 DDAB O=C(CCC(=O)N1CCOCC1)NCCc1ccc(F)cc1 8265263 AFFJSLKSDZCMNA-UHFFFAOYSA-N 308.353 1.123 0 40 DDAB CNC(=O)c1nn(C[C@@H](O)c2ccccc2)c(=O)c2ccccc12 32907293 QSXFWAXTKBZEJA-OAHLLOKOSA-N 323.352 1.490 0 40 DDAB COc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1F 11544922 DFKQBNOUMMVSSM-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB CCOC(=O)N1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 52635454 JVYZXYPWOSKSBI-CQSZACIVSA-N 311.426 1.552 0 40 DDAB CCc1noc(Cn2nnn(-c3ccccc3Cl)c2=O)n1 29144940 SARRONJCCGWLCZ-UHFFFAOYSA-N 306.713 1.076 0 40 DDAB O=C(NCc1ccoc1)NCc1ccnc(N2CCOCC2)c1 45845423 IPQXSLCLJABWAI-UHFFFAOYSA-N 316.361 1.511 0 40 DDAB CCOc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1 510179 CCPDYTAGBGZPPR-UHFFFAOYSA-N 315.329 1.337 0 40 DDAB C[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CCc2sccc2C1 46243621 HJAWKWDUKJTCDE-VXGBXAGGSA-N 319.434 1.464 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)N2CCCCCC2)cc1 53502763 STEQTQVOJKGXHP-UHFFFAOYSA-N 311.407 1.420 0 40 DDAB Cc1cc(C)cc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1 786769 WQFYHSMDXCZAKM-UHFFFAOYSA-N 310.419 1.692 0 40 DDAB COCCCN(CC(=O)O)S(=O)(=O)c1cccc(Cl)c1 2660715 NTYQXPOGSNNCCB-UHFFFAOYSA-N 321.782 1.452 0 40 DDAB CCOc1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1 23387108 RERYVNGTAMEQBU-AWEZNQCLSA-N 322.405 1.022 0 40 DDAB COc1ccc(CCNC(=O)CCn2cncn2)cc1OC 23735881 GGVRVRUGNDUYGZ-UHFFFAOYSA-N 304.350 1.044 0 40 DDAB C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nncn1C 42841180 QVUPOALKNNMOFU-VIFPVBQESA-N 303.322 1.104 0 40 DDAB CN(C)c1ncccc1CNC(=O)CN1CCCCCC1=O 43051103 GFFHNJBMXFBRSG-UHFFFAOYSA-N 304.394 1.166 0 40 DDAB CC(=O)Nc1nc(C(=O)n2cccc/c2=N\C(C)C)cs1 102729383 QEPXLAOQRSTMST-NTCAYCPXSA-N 304.375 1.901 0 40 DDAB COC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCCO2 24980569 GZJDJTDDYFKOJT-ZDUSSCGKSA-N 319.357 1.554 0 40 DDAB Cc1ccc(OCc2nc(C(=O)N(C)CC(N)=O)cs2)cc1 46979960 GWTWRBANRIBNOA-UHFFFAOYSA-N 319.386 1.588 0 40 DDAB CCn1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cn1 43645405 FQVYLLCDJRCWKN-UHFFFAOYSA-N 308.430 1.051 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1cc(C2CC2)on1 25667948 MEMHXHOKJGCLLD-UHFFFAOYSA-N 301.350 1.800 0 40 DDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCOCC2)C1=O 25776829 KEBHIQKJXPZASJ-OAHLLOKOSA-N 323.780 1.397 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2C)CC1 57290353 YHUVLILAQBSCRD-KRWDZBQOSA-N 315.417 1.655 0 40 DDAB C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(F)cc1 27348962 HJRFITZNAQEECA-STQMWFEESA-N 309.385 1.907 0 40 DDAB CC1(C)CN(C(=O)Cn2cnc3sccc3c2=O)CCO1 27638629 WYVRLVLWNIGEQX-UHFFFAOYSA-N 307.375 1.095 0 40 DDAB Cc1ccc2nc(C)c(C(=O)Nc3ccn(CC(N)=O)n3)cc2c1 58224159 KMOGPMGZRUOYJK-UHFFFAOYSA-N 323.356 1.786 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCN(CCC(C)C)CC2)on1 44949885 WTIITMPBXQLVAE-AWEZNQCLSA-N 308.426 1.974 0 40 DDAB C[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)[C@H]1CCCO1 27867063 DXMYXCZBNGEPJL-XHDPSFHLSA-N 315.373 1.160 0 40 DDAB c1coc(-c2nnc(CN3CCO[C@@H](Cn4cccn4)C3)o2)c1 69376850 NDGFRIWAQAWFEN-GFCCVEGCSA-N 315.333 1.427 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)nc2)C[C@@H](C)O1 12616338 VLLVNGPNOIUSDE-AOOOYVTPSA-N 312.753 1.528 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1 69310255 REPYEDBKLIIPGB-ZNMIVQPWSA-N 310.438 1.861 0 40 DDAB 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DDAB CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1cccc(F)c1 96183830 VSTMBKDPOQSBCS-JKSUJKDBSA-N 305.397 1.563 0 40 DDAB CC(C)CCn1cccc1CN1CC[C@@H](NS(C)(=O)=O)C1 93531592 YFJJZORMYQDMHP-CQSZACIVSA-N 313.467 1.658 0 40 DDAB Cc1c(C(=O)N2CCOC[C@@H](O)C2)[nH]c2ccc(Cl)cc12 96152977 AEHJBBSAKBCUNQ-NSHDSACASA-N 308.765 1.963 0 40 DDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(C)on1)C2 247887870 FCHPUEQCNLHHHV-LBPRGKRZSA-N 314.407 1.009 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2ccnc2)C[C@@H]1c1ccccc1 257220656 DLPIVBWUMIYXCD-MRXNPFEDSA-N 312.373 1.315 0 40 DDAB Cc1ccn(CCC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)n1 257211683 BZXJBPDTLHCGGB-OAHLLOKOSA-N 315.377 1.280 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2cncc(-c3cc(C)n[nH]3)n2)C1 257202343 ALJDVSDGOKACFI-LBPRGKRZSA-N 315.377 1.213 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cccnc1O 253535900 UGNCELYCYWHDBS-HAQNSBGRSA-N 314.345 1.697 0 40 DDAB CC(=O)N1CCC(Cc2nc(C)cc(-c3nccn3C)n2)CC1 257242842 IEKIQNUDMMKQAA-UHFFFAOYSA-N 313.405 1.987 0 40 DDAB COCC(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CS2)C1 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315.441 1.699 0 40 DDAB CC[C@H](C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 5954031 GOIMAHQLJQELDG-JTQLQIEISA-N 302.371 1.506 0 40 DDAB CCc1nn(CC(=O)NC2CC2)c(=O)c2cc3ccsc3n12 12114281 UDONGHFRZLDCJL-UHFFFAOYSA-N 316.386 1.552 0 40 DDAB Cc1cc(C)nc(-n2[nH]c3ncc4c(c3c2=O)CCCC4=O)n1 14163959 LDVNUBVKLRYGTL-UHFFFAOYSA-N 309.329 1.640 0 40 DDAB CN1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)nc(O)c2C1 19590216 LLWWOCBWRDWETE-LBPRGKRZSA-N 316.405 1.286 0 40 DDAB Cc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 19936349 JRVNZMKWMRAFEL-UHFFFAOYSA-N 318.354 1.908 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 100185077 WUGJBOLEJDOLMJ-JUFZMCDQSA-N 305.717 1.145 0 40 DDAB Cc1ccc(C[C@@H]2COCCN(C(=O)c3cnn(C)c3)C2)nc1 607855073 KPNGVHOEIHJEFK-AWEZNQCLSA-N 314.389 1.455 0 40 DDAB CC(C)[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(N)=O 4462360 QJXDDEHCHBEUCZ-LLVKDONJSA-N 310.375 1.613 0 40 DDAB CCc1cnc(N2CCN(c3ccc(N(C)C)nn3)CC2)nc1 1888854059 FXVOJXPIZDNVGI-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB CC(C)(C)c1cn2nc(C(=O)N3CCC[C@@H]3C(N)=O)ccc2n1 1888855745 FFAPOYJTOPQOTF-LLVKDONJSA-N 315.377 1.117 0 40 DDAB O=C1NCCC[C@H]1N1CCN(c2nsc3ccccc23)CC1 1888864367 XJNMXRNDWFUQGR-CYBMUJFWSA-N 316.430 1.697 0 40 DDAB CCN=c1nc(N2CCN(Cc3csc(C)n3)CC2)cc[nH]1 1889091739 HRDWHJKJJCBPTJ-UHFFFAOYSA-N 318.450 1.417 0 40 DDAB CCOc1ccc2nnc(CNC(=O)c3c(C)noc3C)n2n1 245130851 VARJCTZHYZWEDO-UHFFFAOYSA-N 316.321 1.058 0 40 DDAB CO[C@H]1COC2(CCN(C(=O)CCc3cncnc3)CC2)C1 1614934296 QGCIQDVRMPLNNM-CQSZACIVSA-N 305.378 1.206 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(CC2CCOCC2)CC1 2055772145 AWYICMZIZVBJPD-UHFFFAOYSA-N 320.437 1.189 0 40 DDAB O=C(CC1CC1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772610 CZACAKRXLVFCHC-UHFFFAOYSA-N 316.405 1.233 0 40 DDAB Cc1ncnc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)c1C 2298028258 AJEPKAMOQUKVFS-LBPRGKRZSA-N 300.410 1.538 0 40 DDAB Cc1cccc(N2C(=O)N[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 39380634 ZOFGPHYRDFBESD-DLBZAZTESA-N 310.309 1.255 0 40 DDAB CC(C)=CCN1CCN(S(=O)(=O)N2CCCCCC2)CC1 40039002 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CN(C)[C@@H](CNS(=O)(=O)c1cccs1)c1ccco1 10088774 PKJCJAPIBUFXPA-JTQLQIEISA-N 300.405 1.922 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 8225374 FIYFGEWLPTWTQG-UHFFFAOYSA-N 310.297 1.072 0 40 DDAB CCOCCCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10331632 XGNQIJGVJRTKNW-UHFFFAOYSA-N 314.407 1.523 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)[C@H]1Cc2ccccc2O1 58289688 YUVAXSFQYZMQSY-CYBMUJFWSA-N 306.362 1.631 0 40 DDAB C[C@@H]1COCCN1C(=O)CN1C(=O)CCOc2ccccc21 44912541 KEHITDQBJLKVQH-GFCCVEGCSA-N 304.346 1.049 0 40 DDAB COCc1cccc(C(=O)N[C@H](C)c2nnc3n2CCC3)c1 44934508 SRCYQWMNDJNYDO-LLVKDONJSA-N 300.362 1.862 0 40 DDAB O=C(CN1CCC[C@@H]1c1ccsc1)N[C@@H]1CCCCNC1=O 44937850 DIIHDYGMWANUCU-ZIAGYGMSSA-N 321.446 1.670 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 58307868 XRJRWXPWCOXLIQ-MELADBBJSA-N 321.487 1.050 0 40 DDAB COCc1cccc(C(=O)N[C@H](C)C(=O)NCc2ccco2)c1 58369265 KEAIGNZGJPHEIF-GFCCVEGCSA-N 316.357 1.861 0 40 DDAB Cc1cc(C)cc(OCCC(=O)NC[C@@H]2CN(C)CCO2)c1 58365162 QZDKRGFSXRURDT-MRXNPFEDSA-N 306.406 1.519 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)[C@H](C)NC(=O)c2ccoc2)CC1 58309248 BYDVNUKYXSRBNC-KBPBESRZSA-N 321.421 1.635 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 2204358 FZNMSKOVKJFGGH-LBPRGKRZSA-N 322.386 1.424 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@H]2CCC[C@H]21 89819254 LDCKWLYNGJGDEU-ZIAGYGMSSA-N 318.421 1.562 0 40 DDAB CC[C@@H](CNC(=O)N1CCOCC1)N1CCc2ccccc2C1 46072565 YOWCYSIEACUOCY-KRWDZBQOSA-N 317.433 1.865 0 40 DDAB CN(CCCc1ccccc1)CC(=O)N[C@@H]1CCCCNC1=O 46087461 KLTCUQMWGJKCIF-MRXNPFEDSA-N 317.433 1.336 0 40 DDAB COC(=O)c1cccc(NC(=O)CN2CCOCC2(C)C)c1 60038177 AEUPJANMMIAQBF-UHFFFAOYSA-N 306.362 1.523 0 40 DDAB CN1C[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)CC1=O 46179815 SAYBDKGWYBAQDU-HNNXBMFYSA-N 316.401 1.673 0 40 DDAB Cc1occc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 60363950 JVORXUNIJXHAJV-UHFFFAOYSA-N 313.357 1.510 0 40 DDAB C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C[C@@H](C)O1 47047059 FUCFYHCTHSUEOF-TXEJJXNPSA-N 300.358 1.706 0 40 DDAB CCONC(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1 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0 40 DDAB C[C@H](NC(=O)NCC[C@H]1CCCO1)C(=O)NCc1ccco1 65517208 BBAIVWUJKVVDGR-NWDGAFQWSA-N 309.366 1.153 0 40 DDAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1CCC(=O)N1 4689143 UFXKTFFJFSQFCM-SUMWQHHRSA-N 323.437 1.341 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1 6602271 GYWMAKBYBMEKQM-UHFFFAOYSA-N 322.386 1.768 0 40 DDAB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 71818682 PUQVULVCLAVMLY-AWEZNQCLSA-N 311.345 1.730 0 40 DDAB CN1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1 71897909 FEEQVVPIBOFYIU-ZDUSSCGKSA-N 322.840 1.868 0 40 DDAB CCOC(=O)NC(=O)CSc1nc2ccc(OC)cc2[nH]1 5919720 WIRPXLBUDUGPBX-UHFFFAOYSA-N 309.347 1.936 0 40 DDAB CCc1cc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)[nH]n1 83820319 MWXZXFQKCKAHDV-ZDUSSCGKSA-N 324.406 1.737 0 40 DDAB Cn1c(SCC(=O)NC2CCCC2)nnc1C(F)(F)F 7198608 DGGPQRLRPFERCQ-UHFFFAOYSA-N 308.329 1.985 0 40 DDAB O=S(=O)(c1ccc2c(c1)N=C(O)CS2)N1CCOCC1 15677255 VIVAXNSNKSWCLF-UHFFFAOYSA-N 314.388 1.401 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)NC(N)=O)c1 83995717 LTYPMKYNHROYRV-GXFFZTMASA-N 321.377 1.424 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 96888433 ZJYYAQINSFOXJZ-BMFZPTHFSA-N 315.369 1.686 0 40 DDAB CC1(C)NC(=O)N(CCCn2nccc2-c2ccncc2)C1=O 95976013 OLJKUWYOZKSYGT-UHFFFAOYSA-N 313.361 1.666 0 40 DDAB O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@H]1CCOC1 95977561 ZSGKINXZVPZRGL-CABZTGNLSA-N 302.733 1.601 0 40 DDAB COC[C@@H](C)NC(=O)CN1CCC[C@H](c2noc(C3CC3)n2)C1 72299914 ULABXVWBEZZHDV-YPMHNXCESA-N 322.409 1.278 0 40 DDAB CC(=O)N[C@H](C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 69557642 WVXZTNXJUFBHCA-SECBINFHSA-N 306.753 1.989 0 40 DDAB CNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 97032948 BKLVNPFNEIXCMW-UHFFFAOYSA-N 321.196 1.624 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc(-n2cccc2)c(F)c1 69652022 QYDVBJAOIBEQFP-UHFFFAOYSA-N 317.364 1.678 0 40 DDAB Cc1n[nH]cc1CNCC[C@@](O)(c1nccn1C)C(F)(F)F 89534589 IVWKTUDWZDTSCG-GFCCVEGCSA-N 317.315 1.381 0 40 DDAB Cn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O 18092180 YMXIIUPCLOHHGI-UHFFFAOYSA-N 312.329 1.159 0 40 DDAB C[C@H](Sc1ncnc2ccccc12)C(=O)N1CCNC1=O 8704848 DGHQQOIFVMUOEW-VIFPVBQESA-N 302.359 1.662 0 40 DDAB CC(C)(C)OC(=O)C1CCC(NC[C@H]2CN3CCN2CC3)CC1 92568113 SQXLHUPEILYROJ-GPANFISMSA-N 323.481 1.476 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCc1cccnc1 72405291 QEVGYBNHUZDYAA-UHFFFAOYSA-N 320.352 1.622 0 40 DDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(Cl)c[nH]1 96010272 BUDSCZBNHMINKZ-GFCCVEGCSA-N 318.764 1.989 0 40 DDAB NC(=O)COc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 89781045 UCLFLXWPWQTTEX-GJZGRUSLSA-N 318.373 1.334 0 40 DDAB CNC(=O)[C@@H]1CCCN1C(=O)NCc1cnc(CC(C)C)s1 95437044 WMLXBSRWKFXPNL-LBPRGKRZSA-N 324.450 1.762 0 40 DDAB C[C@@](O)(CNS(=O)(=O)CC1CCOCC1)c1cccs1 95461906 VEXHRCTYPLMXCU-CYBMUJFWSA-N 319.448 1.302 0 40 DDAB COc1ccc(NC(=O)N(C)CCO)c(Br)c1 95400311 FWXZJXKIJOITHW-UHFFFAOYSA-N 303.156 1.914 0 40 DDAB CC(C)(C)c1cn2nc(N3CCN(C4CC4)C(=O)C3)sc2n1 95406865 NOLNGBGNZVMEQL-UHFFFAOYSA-N 319.434 1.899 0 40 DDAB COCCCNC(=O)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540492 SEQRXVAGPIXKPG-CQSZACIVSA-N 306.406 1.942 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1 170613517 HHYGYMQXGYDRPP-DTZQCDIJSA-N 309.373 1.591 0 40 DDAB COc1ccccc1[C@H]1CN(c2ncccn2)CCN1C(C)=O 72368948 HAJSHLQIICXMKB-OAHLLOKOSA-N 312.373 1.895 0 40 DDAB COc1ccc(CCNC(=O)NC[C@H](O)c2cccn2C)cc1 75155183 FHGMZWXNDJULDF-INIZCTEOSA-N 317.389 1.609 0 40 DDAB Cc1ncsc1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 78984894 AHWJWMOUXHMMQZ-RNCFNFMXSA-N 312.416 1.949 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cnc3onc(C)c3c1)C2 69486218 FLPWGZAWNNKBLA-UHFFFAOYSA-N 312.333 1.341 0 40 DDAB C[C@@H]1CCCCN1C(=O)CCNC(=O)CC1(O)CCCCC1 81316506 BKJLHZMUXVWTFL-CQSZACIVSA-N 310.438 1.979 0 40 DDAB C[C@H](C(=O)N(C)C1CCN(c2cnccn2)CC1)n1cccn1 329898773 MMOUCOHDBOXFFZ-CYBMUJFWSA-N 314.393 1.362 0 40 DDAB CN(C)C[C@@H]1CCN(C(=O)NCc2csc(N(C)C)n2)C1 130234865 ZNLSRMAUMWAIKV-NSHDSACASA-N 311.455 1.302 0 40 DDAB CN1CCC(N2CC[C@@H](CO)N(C)c3ncccc3C2)CC1 225492707 UFGNRPDBHWXDQM-INIZCTEOSA-N 304.438 1.179 0 40 DDAB biogenic,in-vitro Cc1nc2cc(NC(=O)N[C@@H]3CCCCNC3=O)ccc2o1 193226752 NHXDILVEFWGQFF-LLVKDONJSA-N 302.334 1.926 0 40 DDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(C1CCC1)C2 96039796 XYZHAQHMYXBJQV-RDJZCZTQSA-N 310.438 1.515 0 40 DDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)C1=CCCCC1 97103758 WMGJYUIGAQZBNX-UHFFFAOYSA-N 320.433 1.974 0 40 DDAB CCc1cccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c1 95471823 DZJOJMJMCWMOFT-UHFFFAOYSA-N 300.314 1.748 0 40 DDAB O=C(Cc1ccccn1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108725 ZAWYIIYZNCPDOO-CRAIPNDOSA-N 316.401 1.526 0 40 DDAB CCc1nsc(N2CCN(C(=O)[C@@H]3CCCOC3)CC2)n1 96432238 MFNZQLSLXXSDPL-LLVKDONJSA-N 310.423 1.176 0 40 DDAB C[C@H](NCc1cncn1C)c1ccc(S(=O)(=O)N(C)C)cc1 237519414 AXZRCGLCCUNQMN-LBPRGKRZSA-N 322.434 1.521 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1 96181587 IORIWPABUKOWAU-SJORKVTESA-N 316.401 1.906 0 40 DDAB CCC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225026 FMXGNMSGHBERRB-INIZCTEOSA-N 316.361 1.568 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnc3ccccc3n1)C2 97198894 XQGDFJJMKJKDHU-GFCCVEGCSA-N 307.357 1.880 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H](N(C)c3ncccn3)CO2)C1 96219852 FWQYTILDLTWPPA-CZUORRHYSA-N 319.409 1.264 0 40 DDAB C[C@H](Cc1cnn(C)c1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O 333916161 NCPORKPNPNDHAE-BEAPCOKYSA-N 316.405 1.946 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91562752 COABYALZDMXVJU-UONOGXRCSA-N 305.378 1.528 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cc(C)on1 96068800 OEWLHIXYCRETHB-OAHLLOKOSA-N 317.393 1.730 0 40 DDAB Cc1ccncc1NC(=O)C(=O)NCCc1ccn(C(C)C)n1 96416129 SHIXHXHYZKHZGE-UHFFFAOYSA-N 315.377 1.465 0 40 DDAB CC1(C)CC[C@@H](CN2CCCC[C@H]2CCNS(C)(=O)=O)O1 248593043 ZVKREUTYFIGZSV-KBPBESRZSA-N 318.483 1.738 0 40 DDAB O=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1csc(Cc2ccccc2)n1 257202787 ANKNMIMNYOVYNI-UXIGCNINSA-N 318.398 1.348 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1CC1CC1 69778736 OGINOWHUCVAFAY-CABCVRRESA-N 316.405 1.133 0 40 DDAB Cc1ncncc1C(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257205605 AZUYJIUWULNNCT-GXTWGEPZSA-N 302.378 1.258 0 40 DDAB Oc1cc(C[C@H]2COCCN(Cc3ccsc3)C2)ncn1 257297692 RIMWTSPDLZZTEM-CYBMUJFWSA-N 305.403 1.935 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCCN2CCCS(C)(=O)=O)n1 69847031 HLGPNUNGPKYBHL-AWEZNQCLSA-N 314.455 1.184 0 40 DDAB O=C(NCc1ccccn1)[C@H]1CN(c2ccc(F)cc2)CCN1 257335386 YJXRRHVPAASSEC-MRXNPFEDSA-N 314.364 1.315 0 40 DDAB COc1ccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1F 257289553 PZDLDKSRYCLSCM-HOCLYGCPSA-N 309.337 1.590 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2C2CCN(C)CC2)n1 257202525 AMFNUCDMUWEBSL-AWEZNQCLSA-N 305.426 1.294 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3cnccn3)cn2)CCCCO1 257243652 IHYDLNBCZIBZRC-INIZCTEOSA-N 313.361 1.612 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)c(F)c1 262324519 DCGDPGATDGGUSW-NSHDSACASA-N 319.354 1.612 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(=O)n1C 70040789 MSRWSBAXTATYDH-CYBMUJFWSA-N 300.362 1.195 0 40 DDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)C1CC(O)C1)C2 585111070 ZXORMKGJTDDOGD-BLZCZZARSA-N 319.405 1.043 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095686 BRQINYSPURYEHU-AWEZNQCLSA-N 320.393 1.511 0 40 DDAB O=C(C1=NO[C@@H]2CN(C(=O)c3ccsc3)C[C@H]12)N1CCCC1 585108891 BZOFAFJLEDNKDK-NWDGAFQWSA-N 319.386 1.197 0 40 DDAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)COC(=O)C2 585294028 HTTVREKLXYDTDM-UHFFFAOYSA-N 318.373 1.171 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1ccnnc1)[C@H]2C 585097298 IBUZSOQLSNAGCB-LBPRGKRZSA-N 315.377 1.469 0 40 DDAB CCOC(=O)N1CCC(N[C@@H]2c3ccccc3C[C@@H]2O)CC1 72312304 FQDRVYSBDSZSLI-JKSUJKDBSA-N 304.390 1.855 0 40 DDAB CCN(CC)c1ccc(NC(=O)N[C@H](C)c2nncn2C)cn1 46962722 IBKBHGQGVXFRKY-LLVKDONJSA-N 317.397 1.939 0 40 DDAB Cn1ccnc1SCC(=O)Nc1ccc([S@@](C)=O)cc1 76066249 ZVXSNKRRCNJGJC-FQEVSTJZSA-N 309.416 1.888 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nc1 40511910 GLWCGESZGOTFDR-VIFPVBQESA-N 301.268 1.739 0 40 DDAB Cc1cc([C@@](C)(O)CNc2ccc3nnc(C)n3n2)c(C)o1 78308350 OYKXONNGGNGGTK-HNNXBMFYSA-N 301.350 1.962 0 40 DDAB Cc1nc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cs1 40489971 ZFYVCJVKYHJJKH-LBPRGKRZSA-N 321.446 1.901 0 40 DDAB Cc1cc(N2C[C@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]3C2)ncn1 585416068 WXIYQDLKEMWTEY-RYUDHWBXSA-N 322.376 1.024 0 40 DDAB C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](O)C1 95987667 AXNJQOUMGXUGDM-HOCLYGCPSA-N 305.422 1.673 0 40 DDAB O=C(NCCn1nc(-c2cccs2)oc1=O)C1CCCC1 12145402 KMTSGQVFXQNMML-UHFFFAOYSA-N 307.375 1.871 0 40 DDAB Cn1c(=O)n(C[C@@H](O)COc2ccccc2F)c2ccccc21 12916276 JORQENNUFPZKSY-GFCCVEGCSA-N 316.332 1.919 0 40 DDAB C[C@@H]1Oc2ccc(NC(=O)[C@@H](C)n3ccnc3)cc2NC1=O 19462090 MMAMSOCZVUQDOI-ZJUUUORDSA-N 300.318 1.802 0 40 DDAB CN1CCCN(C(=O)C(=O)Nc2cnc3ccccc3c2)CC1 155515255 FBTZJIPUWDUXKV-UHFFFAOYSA-N 312.373 1.337 0 40 DDAB CC(=O)OCc1ccc(/C=C2/N=C(S)N(C3CC3)C2=O)o1 2741101 YUMAJOGAINJFCI-WUXMJOGZSA-N 306.343 1.974 0 40 DDAB O=C(COC(=O)Cc1c[nH]c2ccccc12)NCC(F)(F)F 5937841 CLZAMHOHFLEDKT-UHFFFAOYSA-N 314.263 1.932 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)nn1 1888930395 CSMXWVROKYEIQE-SNVBAGLBSA-N 318.358 1.600 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)CCc3ccccc3F)CC[C@@H]2C1 1565548248 WBMZVCJHEFIAAT-NVXWUHKLSA-N 320.408 1.937 0 40 DDAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 2641545 MWLJCUUEOFTVEB-GFCCVEGCSA-N 323.326 1.046 0 40 DDAB COCCN1CCC(CNC(=O)COc2ccc(F)cc2)CC1 23127943 XQHZBTZHQXTRTN-UHFFFAOYSA-N 324.396 1.679 0 40 DDAB O=C(NCCn1ccn2nccc12)c1cnc2ccccc2n1 206743174 KCXGTFSJAGIHDJ-UHFFFAOYSA-N 306.329 1.509 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)Cc1cccc(OC)c1 225631750 GBSSZGLEPYKLBF-KGLIPLIRSA-N 307.346 1.027 0 40 DDAB Cc1nnc2c(=NCc3ccnc(-c4cnn(C)c4)c3)[nH]ccn12 2298228126 LECZCTJIBVLECM-UHFFFAOYSA-N 320.360 1.262 0 40 DDAB C[C@]1(C(=O)NCCC(=O)O)CS[C@H]2c3ccccc3C(=O)N21 36576441 LHWYLFQJRUVDCM-DZGCQCFKSA-N 320.370 1.237 0 40 DDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(C)cc4)C(=O)[C@H]13)O2 488859 FFWORHUJCFCVGH-LDDOYCOJSA-N 313.353 1.845 0 40 DDAB biogenic COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1ccco1 30847443 XRSBKOCTOJHEDU-GHMZBOCLSA-N 310.350 1.102 0 40 DDAB Fc1ccccc1OCCN1CCN(c2ncccn2)CC1 40460403 PLZMIBXYSFVQRX-UHFFFAOYSA-N 302.353 1.817 0 40 DDAB Cc1nc(C)c(CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(=O)[nH]1 31203152 HOWBCQOHWYGACV-ZIAGYGMSSA-N 303.406 1.968 0 40 DDAB C[C@H](CNC(=O)NCc1ccc(F)cc1)CN1CCN(C)CC1 40554352 WMRREBHMZKLGFA-CQSZACIVSA-N 322.428 1.508 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 40553819 MEYBMCHMJHWSAO-HUUCEWRRSA-N 323.414 1.874 0 40 DDAB CN1CCN(C(=O)c2ccccc2NC(=O)c2ccncc2)CC1 32431138 IGXGWXHYYIDFQJ-UHFFFAOYSA-N 324.384 1.722 0 40 DDAB Cc1csc(NC(=O)CN2CCN(c3cnccn3)CC2)n1 32804030 AITRGWHFZCHKQZ-UHFFFAOYSA-N 318.406 1.002 0 40 DDAB CCn1c(COc2ccc(C)cc2)nnc1SCC(N)=O 419245 SBKWIBNXBPXMTP-UHFFFAOYSA-N 306.391 1.763 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)CCNc2ncccn2)cc1 52741850 ZZRWZVZLNRVFSH-AWEZNQCLSA-N 316.361 1.137 0 40 DDAB Cc1ccc(C)c(OCC(=O)NC(=S)N2CCOCC2)c1 508665 JAISNEYBNYSTHC-UHFFFAOYSA-N 308.403 1.416 0 40 DDAB CCOc1ccccc1OCC(=O)N[C@H]1CCCCNC1=O 42477985 AQVRMRVPVDXRPN-LBPRGKRZSA-N 306.362 1.249 0 40 DDAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)N(C)C 42621179 YUTGMSNNEATJHV-UHFFFAOYSA-N 315.373 1.739 0 40 DDAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 416089 OTVRWOORGPIMAG-UHFFFAOYSA-N 315.377 1.322 0 40 DDAB Cc1cccc(NC(=O)[C@H]2CCCN(CN3CCCC3=O)C2)n1 69350606 NUIQMVSJCYTNNP-AWEZNQCLSA-N 316.405 1.620 0 40 DDAB COc1ccnc(N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 69349676 RFHMKPZYPINJGO-ZDUSSCGKSA-N 303.366 1.204 0 40 DDAB O=C(NCCc1nnc2n1CCCCC2)NCc1ccoc1 45385008 ZDMHSNZSCHDOLS-UHFFFAOYSA-N 303.366 1.639 0 40 DDAB CCOC(=O)c1ccc(OC[C@@H](O)CNC[C@H]2CCCO2)cc1 8326940 DVOVPCLGJKKSTR-GOEBONIOSA-N 323.389 1.372 0 40 DDAB CC(C)n1nc(C(=O)NC[C@@H]2CCCO2)c2ccccc2c1=O 40457535 NLFVVBKDKSPRHC-LBPRGKRZSA-N 315.373 1.886 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CC(C)C)n(C)c1 31411081 UTWLQHJRKKCCCT-NSHDSACASA-N 315.439 1.440 0 40 DDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)N1CCc2ccccc2C1 40528648 KMQDKUNHEUHEAE-OAHLLOKOSA-N 323.414 1.165 0 40 DDAB CCc1nnsc1C(=O)NC[C@H](O)COc1ccccc1 40514210 YGRPIAPJNMFDEJ-JTQLQIEISA-N 307.375 1.270 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)[C@H](C)CO1 45449589 UINJOXQTGFZJOG-CHWSQXEVSA-N 316.357 1.739 0 40 DDAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 51373551 KZFDBIAKFPREJT-WBMJQRKESA-N 306.362 1.537 0 40 DDAB Cc1cc(=O)n2ncnc2n1C[C@@H](O)c1ccccc1Cl 51319805 NCNFJBCXHBNHPO-GFCCVEGCSA-N 304.737 1.586 0 40 DDAB CCN(CC)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6629780 JCZJLPWGLPKPTE-UHFFFAOYSA-N 323.824 1.857 0 40 DDAB CNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 6882415 NZPBCCYULVRQGV-UHFFFAOYSA-N 307.438 1.679 0 40 DDAB O=c1cc(CO)oc(CN2CCCC[C@@H]2c2cccnc2)c1O 20759540 QEWDBSYNKIMLOR-CQSZACIVSA-N 316.357 1.960 0 40 DDAB biogenic C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 8718132 ZTTFBYKCKJATHA-QWRGUYRKSA-N 311.407 1.844 0 40 DDAB Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc(N)n1 52450348 UKDMMYDFDZHNET-UHFFFAOYSA-N 307.398 1.861 0 40 DDAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(C)no3)C2=O)cc1 29134507 PCEJNAOYWMLWSA-OAHLLOKOSA-N 300.318 1.654 0 40 DDAB CCOC(=O)N[C@@H](C(=O)Nc1ccc(N(C)C)nc1)C(C)C 32912210 XJUQSRSDXLQDLO-CYBMUJFWSA-N 308.382 1.857 0 40 DDAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCC(N)=O 9188284 HZARCWUSTUSZKU-NSHDSACASA-N 324.402 1.003 0 40 DDAB Cc1csc(N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)n1 52641656 IGTOQRKWXUZQRD-LBPRGKRZSA-N 305.407 1.558 0 40 DDAB CCOCc1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cc1 46158685 VXRSMZHOJOKZMD-LBPRGKRZSA-N 317.393 1.912 0 40 DDAB CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCC(=O)N2)cc1 2644813 ILOLBQDOLNSJNG-GWCFXTLKSA-N 304.346 1.398 0 40 DDAB CN[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 53203105 XVWREHHWUVNJIL-SECBINFHSA-N 308.325 1.476 0 40 DDAB C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCCC1 23628278 XIVHAALIZRDFKA-NSHDSACASA-N 311.407 1.481 0 40 DDAB Cc1cc(N2CCN(C(=O)c3ccc(C)s3)CC2)nc(N)n1 54838652 CVQNUAVHCWJJPU-UHFFFAOYSA-N 317.418 1.700 0 40 DDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc[nH]c2=O)c1 24153402 UMSJVBNHJUANDR-UHFFFAOYSA-N 322.342 1.126 0 40 DDAB O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@@H](N2CCCC2)C1 107047510 WWRSGGPLPXTBIH-KGLIPLIRSA-N 302.440 1.055 0 40 DDAB Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1 25572549 JMBDHKBYBOWOMZ-UHFFFAOYSA-N 301.346 1.921 0 40 DDAB COc1ccc(C)cc1CN(C)CCCNS(C)(=O)=O 57265664 FFYFABLMYIWGMK-UHFFFAOYSA-N 300.424 1.375 0 40 DDAB Cc1cc(=O)oc2cc(NCC(=O)N3CCO[C@@H](C)C3)ccc12 57882649 VEBHGWZAASJQQR-LBPRGKRZSA-N 316.357 1.761 0 40 DDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccco1 44716353 FOKMEHVDEHTRNC-LBPRGKRZSA-N 302.396 1.202 0 40 DDAB C[C@@H]1CN(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)CCO1 44736739 HCJMKOBBFBQVOS-CJNGLKHVSA-N 322.380 1.446 0 40 DDAB CCNC(=O)NC(=O)CNc1cccc(NC(=O)OCC)c1C 58151455 XDFFVOATHAZUJC-UHFFFAOYSA-N 322.365 1.821 0 40 DDAB CN1N=C(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CCC1=O 44890509 HKHGBCBEDOWHQJ-ZDUSSCGKSA-N 318.377 1.141 0 40 DDAB CCCc1nc(CN2CCN(CC(=O)N(C)C)CC2)cs1 58266258 JRNOJRAHHMDURR-UHFFFAOYSA-N 310.467 1.301 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(-c2ncccn2)noc1=O 58283322 MNLPHBUFIGLETE-GHMZBOCLSA-N 317.349 1.083 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 58264029 RWAKJJILWLTIIN-UPJWGTAASA-N 302.440 1.495 0 40 DDAB Cc1nc(CCNC(=O)N[C@@H](C)CN2CCOCC2)cs1 44953647 QZLJGINOAVPMLI-NSHDSACASA-N 312.439 1.014 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc(F)cc1Cl 44907509 BRAGIVIRFIOSSC-UHFFFAOYSA-N 322.789 1.090 0 40 DDAB COc1ncccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 44921062 PQVPQAPQZKIUDP-UHFFFAOYSA-N 319.748 1.999 0 40 DDAB COCC(=O)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 47997517 MXODFIUFJDBBOJ-UHFFFAOYSA-N 316.361 1.027 0 40 DDAB COC(=O)[C@@H](c1ccc(F)cc1)N(C)CC(=O)NC(C)(C)C 58315657 VFXHZPIDAHYULQ-CQSZACIVSA-N 310.369 1.886 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 12649736 CRHBLLDNNBKIOW-OLZOCXBDSA-N 305.378 1.662 0 40 DDAB CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 12600177 CTCBPSKQQLNBIW-TXEJJXNPSA-N 310.419 1.713 0 40 DDAB CNC(=O)COC(=O)c1ccccc1I 3320830 ULJHKGOOFYJFDG-UHFFFAOYSA-N 319.098 1.194 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1ccccc1=O 12731905 FHTIQBJWICLYBW-UHFFFAOYSA-N 315.329 1.454 0 40 DDAB CCc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1 3569614 WSOCXIZPPPNWSG-UHFFFAOYSA-N 300.318 1.417 0 40 DDAB CCOC(=O)[C@@H]1C(O)=Nc2nc(C)nn2[C@@H]1c1ccccc1 13127038 NULKNWNNTGSSHC-NWDGAFQWSA-N 300.318 1.957 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cn1 69510160 RTVONSVNIAMAAX-LSDHHAIUSA-N 316.405 1.140 0 40 DDAB CCN(CC)CCCNC[C@H](O)COc1ccc(C(C)=O)cc1 23623645 CIVWISVCYCIWMI-KRWDZBQOSA-N 322.449 1.950 0 40 DDAB COCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 69872139 DRICTSXTWCFIKC-UHFFFAOYSA-N 300.406 1.636 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)O)cc1)Nc1cnns1 4476192 HFESPRWGESBZKX-UHFFFAOYSA-N 300.321 1.429 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 65403891 CMPXKUKMQFVNRK-HNNXBMFYSA-N 317.433 1.724 0 40 DDAB COC[C@@H](O)CN(C)C(=O)NCc1ccc(-n2cccn2)cc1 65418657 GPWBYZVUZZXXMP-HNNXBMFYSA-N 318.377 1.021 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)NC[C@H](C)c1ccccc1 14093619 SXAFREZQHZUWEN-WDEREUQCSA-N 305.407 1.611 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCNC(=O)C1 14121079 ZEPXZTPJFIBSMF-VIFPVBQESA-N 313.304 1.047 0 40 DDAB Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1CCO 6670338 WQDLQCQDVJVUJL-AWEZNQCLSA-N 301.298 1.114 0 40 DDAB O=C(CSc1nnnn1CCc1cccs1)NC1CC1 8708771 ARSLAFQHEMNABS-UHFFFAOYSA-N 309.420 1.348 0 40 DDAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccco2)o1 4828252 JVGJIAPUSXIPDH-UHFFFAOYSA-N 310.335 1.656 0 40 DDAB CCCCn1nnnc1Cn1cnc2sc(C)c(C)c2c1=O 6842684 DUZVPHOEDSZEKY-UHFFFAOYSA-N 318.406 1.910 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1 6882266 JZPWCGCQWSIXDW-ZDUSSCGKSA-N 302.355 1.570 0 40 DDAB O=C(COc1ccc(Cl)c2cccnc12)N1CCNC1=O 6822540 LANZDTMNVQUSTE-UHFFFAOYSA-N 305.721 1.819 0 40 DDAB CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 18210578 XRVXKGIHWRRTPH-UHFFFAOYSA-N 316.810 1.826 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)cc1 9013341 LJXMZCFPLSPXDZ-LBPRGKRZSA-N 313.317 1.311 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCCC[C@H]1Cn1cncn1 71878723 KRKYJYKKDZXFFD-AWEZNQCLSA-N 317.393 1.384 0 40 DDAB CCNC(=O)CNC(=O)CC1(C(F)(F)F)SCCS1 89977418 WEIJHQUKNRUXDO-UHFFFAOYSA-N 316.370 1.367 0 40 DDAB C(CN1CC[C@H](N2CCCC2)C1)CN1CC[C@@H](N2CCCC2)C1 71920923 SHWMAVWMEVCAHV-KDURUIRLSA-N 320.525 1.717 0 40 DDAB O=C1CC[C@@H](NC(=O)Nc2nc(-c3cccnc3)cs2)CN1 72230540 VQJYLRLUZOXNHS-SNVBAGLBSA-N 317.374 1.605 0 40 DDAB CC1CCN(C[C@@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)CC1 72270895 UZTMMRCXDRMNFJ-HNNXBMFYSA-N 324.469 1.228 0 40 DDAB COC(=O)[C@]12CCC[C@H]1CN(Cc1cc(C(N)=O)cs1)C2 97084971 XKMQWZDSQHPKGJ-NHYWBVRUSA-N 308.403 1.622 0 40 DDAB O=C1C[C@@H](COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CN1 97094587 GWLLGJIOGLMGRU-SECBINFHSA-N 303.293 1.509 0 40 DDAB CCN(C(=O)N1CCN(C(=O)c2ccccn2)CC1)C(C)C 97141715 YDBDYDWEQVCGQI-UHFFFAOYSA-N 304.394 1.690 0 40 DDAB Cn1ncc2c(=O)n(Cc3nnc(-c4ccccc4)s3)cnc21 97145950 VTSDPEYEEWUTLZ-UHFFFAOYSA-N 324.369 1.697 0 40 DDAB CCCCCOC1CN(C(=O)Nc2cnn(CCOC)c2)C1 72311308 MWPHGPDRNLQALG-UHFFFAOYSA-N 310.398 1.952 0 40 DDAB O=C(NCc1cccc2c1OCO2)c1ccc(-n2cccn2)nc1 84358642 XLMWAMGWJCWPLQ-UHFFFAOYSA-N 322.324 1.926 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)c2ccc3cncn3c2C)C1 95465223 MQJFWTTUAJNRCP-GFCCVEGCSA-N 300.362 1.241 0 40 DDAB O=C1CC(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 95451452 FCICFXLNSUKXAE-UHFFFAOYSA-N 310.353 1.492 0 40 DDAB Cn1cnc2cc(C(=O)N3CCCC[C@H]3CC(N)=O)ccc21 95435511 BYWZATRLEXRZFQ-LBPRGKRZSA-N 300.362 1.443 0 40 DDAB COc1cccc(CN[C@@H](CC(N)=O)C2CCOCC2)c1OC 95452884 ZNKXNFGSLVVOIV-AWEZNQCLSA-N 322.405 1.464 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCO[C@@H]2CCCC[C@H]21 95960395 UGLSERSVRXXIII-ZIAGYGMSSA-N 321.421 1.494 0 40 DDAB CC(C)NC(=O)N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 95963688 XWMDJQACRGZVEH-AWEZNQCLSA-N 310.442 1.121 0 40 DDAB CC[C@H]1COCCN1C(=O)NCc1cn(-c2ccccc2)nn1 88622457 MTQGIBWWSIRHHT-AWEZNQCLSA-N 315.377 1.588 0 40 DDAB Cn1cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cn1 74394235 NPDOVMPWPSLKBB-UHFFFAOYSA-N 309.373 1.864 0 40 DDAB COc1cc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)ccn1 79105790 MNDLJGDYIHRITI-ZBFHGGJFSA-N 313.357 1.548 0 40 DDAB CSc1ccccc1NC(=O)CN1CCN(C(C)=O)CC1 36405700 IUJZLPGIKDBDJN-UHFFFAOYSA-N 307.419 1.511 0 40 DDAB NC(=O)CN1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72361805 ZCAKXNUOWUNPSU-ZDUSSCGKSA-N 312.373 1.934 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 72385986 GNKMWENLZDNDMN-LBPRGKRZSA-N 323.422 1.328 0 40 DDAB O=Cc1cccn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 72331914 HNJOLBZJWPDCFM-UHFFFAOYSA-N 315.348 1.789 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2cncnc2)cc1 73252151 SBDZKDFSRKHFLM-SWLSCSKDSA-N 324.384 1.799 0 40 DDAB CCn1nncc1CN1CCN(Cc2cccc(F)c2)C(=O)C1 565466750 DUTOPBLLDBDBLU-UHFFFAOYSA-N 317.368 1.282 0 40 DDAB O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc2ccccc12 40169252 DQZDFAARQFFNCY-OCCSQVGLSA-N 302.355 1.535 0 40 DDAB CSc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3ncnn32)cc1 40486296 RFDXASXFMSVKTM-GFCCVEGCSA-N 301.375 1.774 0 40 DDAB Cc1cc(-c2noc(CNC(=O)c3scnc3C)n2)no1 225813355 GKWZKWQCUORESE-UHFFFAOYSA-N 305.319 1.728 0 40 DDAB NC[C@H]1CN(C(=O)c2ccc(Cl)cn2)CC12CCOCC2 566213263 YSEPTTKUOLPPNP-NSHDSACASA-N 309.797 1.563 0 40 DDAB CCc1cc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)ncn1 173144520 FHBWWCBDOJQWGY-LBPRGKRZSA-N 310.423 1.090 0 40 DDAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCC(=O)NC3)cc2)c1C 572180738 UBYQKKOIXKHLHC-CYBMUJFWSA-N 312.373 1.954 0 40 DDAB NC[C@H](C(=O)NCc1cnc2n1CCOC2)C1CCCCCC1 1580215191 DMJDEDPGSFQNDJ-HNNXBMFYSA-N 320.437 1.575 0 40 DDAB O=C(NCCCNCc1cccnc1)[C@H]1CC12CCOCC2 195542765 RLVXBLDCXUZWLN-OAHLLOKOSA-N 303.406 1.494 0 40 DDAB CC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944774 XXPAAXTVAPPOIV-ZWNOBZJWSA-N 316.398 1.721 0 40 DDAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC(n2ccnn2)C1 225691534 YHCXRIPYILSZAB-UHFFFAOYSA-N 312.251 1.874 0 40 DDAB Cc1noc([C@H]2CCC3(CCN(S(C)(=O)=O)CC3)O2)n1 96109965 FMEKMIHIZBFCCF-SNVBAGLBSA-N 301.368 1.024 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 96159551 SRVKJRJKFHLXBR-CZUORRHYSA-N 320.414 1.883 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2cncnc2)Oc2ccccc21 96111726 VHFWJHSAPHAEAK-JSGCOSHPSA-N 324.340 1.115 0 40 DDAB biogenic,in-vitro O=C1CNC(=O)N1CCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 97377103 NWOFOOLPDPMNJY-ZIAGYGMSSA-N 305.353 1.603 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96218684 VDUFMAXCOOZZLX-ZBFHGGJFSA-N 303.362 1.566 0 40 DDAB CNC(=O)C[C@H]1COC2(CCN(c3ncc(C)cn3)CC2)C1 96221922 PJVTWINSLCITCI-CYBMUJFWSA-N 304.394 1.297 0 40 DDAB C[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)Cc1cccs1 96440853 WRKYEFCLOOWSRU-LLVKDONJSA-N 316.448 1.367 0 40 DDAB CCCCn1nnnc1CN1CCO[C@H](c2nc(C)cs2)C1 97199596 APUCWHFJOQRLIU-LBPRGKRZSA-N 322.438 1.812 0 40 DDAB CN(C)c1nccc(CNC(=O)[C@@H]2CCCc3cccnc32)n1 333258272 LQUQBLQNWFBBTN-CQSZACIVSA-N 311.389 1.674 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)C[C@H]1CCCCO1 249201339 QXQYLMPSKBTPFD-QLFBSQMISA-N 318.483 1.595 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)c2cccnc12 40511366 KTYODCMOROSSNJ-LBPRGKRZSA-N 306.387 1.953 0 40 DDAB C[C@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)N1CCOCC1 40509854 ZJFQWIPIYRTGKL-ABAIWWIYSA-N 324.808 1.480 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257271619 MZBPVOYZLHAPOF-CQSZACIVSA-N 303.387 1.989 0 40 DDAB O=C(Cc1ccccc1F)N1CCO[C@@H](c2cnccn2)C1 257321701 WCUNLJPUOOSYSC-OAHLLOKOSA-N 301.321 1.758 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(OC)nc2)n1 257229224 FXGMPGDZUZZZQH-ZDUSSCGKSA-N 313.361 1.899 0 40 DDAB CC(=O)NCc1cn(-c2ccccc2C(=O)N2CCCC2)cn1 257340236 ZFDSBYFZLDEGAE-UHFFFAOYSA-N 312.373 1.744 0 40 DDAB CC(=O)N1CC2(CCN(Cc3cccnc3)CC2)C[C@@]1(C)CO 257316015 VDTMVZYONLFLGV-KRWDZBQOSA-N 317.433 1.667 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCCN3C)nn1C 257224965 FEDYKHCHYPEILA-HUUCEWRRSA-N 319.453 1.616 0 40 DDAB CO[C@H]1CN(C(=O)CCc2cnn(C)c2)CC[C@@]12CCCO2 257258017 KSBAEDCGSQKFPL-HOCLYGCPSA-N 307.394 1.149 0 40 DDAB CCOCC(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257328555 XGEHGXSJLSQMMU-HZSPNIEDSA-N 304.394 1.186 0 40 DDAB Cc1cc(C)cc([C@H](O)CNC(=O)NC[C@@H]2CCCN(C)C2)c1 252490286 KNYZKEOMBYTCND-DOTOQJQBSA-N 319.449 1.978 0 40 DDAB CCC[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)O 262614044 XCZDMQCZOQPJIB-LBPRGKRZSA-N 300.380 1.284 0 40 DDAB Cc1cc(CN2CCN(c3ccnc(N(C)C)n3)CC2)no1 606897989 BDCZHWMODHCWGD-UHFFFAOYSA-N 302.382 1.161 0 40 DDAB Cc1cc(C(=O)Nc2nc(C(=O)NCc3ccco3)co2)no1 90583004 JFCYSHRJNNGLEY-UHFFFAOYSA-N 316.273 1.746 0 40 DDAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cn1 585097268 JMQKBXDAMFFASS-OAHLLOKOSA-N 313.405 1.563 0 40 DDAB CCc1[nH]nc(C(=O)N2CCC[C@]2(COC)CC(=O)NC)c1C 585275974 CDQORZVNYNGQRP-MRXNPFEDSA-N 322.409 1.038 0 40 DDAB O=C(CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F)NC1CCC1 585278550 UCKRWKFWYZRYOO-IRXDYDNUSA-N 320.408 1.862 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)CN1C(=O)COc2ccccc21 61661326 CISDALZJJMWGEO-ZDUSSCGKSA-N 318.373 1.297 0 40 DDAB C[C@H](NC(N)=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 56078309 AYSCNTUQYKXUJC-QMMMGPOBSA-N 303.284 1.721 0 40 DDAB CN(CC(N)=O)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 60564173 NGLFMAXIFSMMMY-UHFFFAOYSA-N 323.299 1.496 0 40 DDAB CC[C@@](C)(NC(=O)CSc1nc(C)cc(C)n1)C(=O)OC 69348296 NPRRWCFCYXUZNL-CQSZACIVSA-N 311.407 1.643 0 40 DDAB CN1CCO[C@@H](CNCc2csc(Br)c2)C1 69384212 JJPLUPVGNCFRLL-JTQLQIEISA-N 305.241 1.931 0 40 DDAB COc1ccc(OC)c(C(=O)N[C@@H](C)C(=O)NC2CCCC2)c1 69520796 GQIWRJBZOHEEQD-NSHDSACASA-N 320.389 1.881 0 40 DDAB C[C@H](NC(=O)NCc1nccs1)C(=O)N1CCCC[C@@H]1C 69632582 XAWJCGLSHWLAOC-QWRGUYRKSA-N 310.423 1.732 0 40 DDAB COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1sccc1OC 79107784 WVXJRHMLESRXCC-QMMMGPOBSA-N 307.393 1.186 0 40 DDAB COCCNC(=O)N1CCC(CSc2nccn2C)CC1 90608227 UQJONMBLMWVAMS-UHFFFAOYSA-N 312.439 1.580 0 40 DDAB Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@@H](CC(N)=O)C1 95434426 IIUDXZCKGHRESN-MFKMUULPSA-N 322.409 1.692 0 40 DDAB CN1CCC(CCNC(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 103321286 PBGODYMYOOLZIH-QGZVFWFLSA-N 322.497 1.988 0 40 DDAB O=C(N1CCC(n2ccnn2)CC1)C1(Br)CCC1 95979321 PEHDDYGPUYYNNS-UHFFFAOYSA-N 313.199 1.759 0 40 DDAB COC(=O)N(C1=Cc2ccccc2S1(=O)=O)[C@@H](C)C(=O)O 1569979546 DESGCVHNWJLGTP-QMMMGPOBSA-N 311.315 1.314 0 40 DDAB CC(C)c1nc2ccccc2c2nn(CC(=O)N(C)C)c(=O)n12 12183461 DLUHTHZYRDACBE-UHFFFAOYSA-N 313.361 1.256 0 40 DDAB O=C(NCCn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CCCO1 12188636 LUNYFWLKTHUDFN-NSHDSACASA-N 310.737 1.543 0 40 DDAB CN(CCOc1ccccc1)C(=O)c1cnc(N(C)C)nc1 12325372 PLPYIKZVUJLQQE-UHFFFAOYSA-N 300.362 1.694 0 40 DDAB Cc1cccnc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 12545115 FRHIDWLDAGXZFO-UHFFFAOYSA-N 302.334 1.193 0 40 DDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCc2ccccc2C1 17030668 XEZFFERJUYWIDH-CBBWQLFWSA-N 301.342 1.450 0 40 DDAB CO[C@@H](C(=O)N1CCc2nc(C)[nH]c(=O)c2C1)c1ccccc1 19576515 XOCOSMXTGCLIIM-OAHLLOKOSA-N 313.357 1.351 0 40 DDAB CCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 6430593 MBUUQBUSULDAIU-UHFFFAOYSA-N 314.407 1.278 0 40 DDAB O=C([C@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCCC1 1889098673 KWNLMWSISNVQQE-CQSZACIVSA-N 302.378 1.182 0 40 DDAB CSc1nccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 1889099227 YUUFJXAFIJCNPN-LBPRGKRZSA-N 322.434 1.274 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1COc2ccccc2O1 26520264 CSNZYLPKUCXVHU-CYBMUJFWSA-N 316.361 1.402 0 40 DDAB COCCCN1CC[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]2CC1 2056223771 FMYAZVLLZPKOFS-GASCZTMLSA-N 320.437 1.241 0 40 DDAB Cn1ccnc1N[C@@H]1CO[C@@]2(CCN(C(=O)C3(F)CCC3)C2)C1 1565546237 WJUAMDJGTGUSAP-WFASDCNBSA-N 322.384 1.484 0 40 DDAB CCOC(=O)CC1=Nn2c(nnc2-c2ccncc2)SC1 12413306 MBOIMAZSSIJTFH-UHFFFAOYSA-N 303.347 1.603 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccnn2)C1 225410642 PUNQMJBVZFSHSD-LBPRGKRZSA-N 313.313 1.499 0 40 DDAB Cn1cccc(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)c1=O 618257419 VUSJPJKWQOXNDY-ZDUSSCGKSA-N 317.414 1.451 0 40 DDAB O=C(NC1CCN(c2ccc3nncn3n2)CC1)C1CCC1 2298179364 WTANDYHAQBTDFF-UHFFFAOYSA-N 300.366 1.009 0 40 DDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cc(=O)[nH]c2ccccc12 102425354 BZSGALZQKCIGFF-KBPBESRZSA-N 308.337 1.979 0 40 DDAB biogenic,in-vitro CCCC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 10745065 ZXJWCIDKQAMZGV-UHFFFAOYSA-N 312.435 1.931 0 40 DDAB O=C(NCc1ccc(O)cc1)c1ccc(N2CCOCC2)nc1 40490425 JQXFPFYIQWGOND-UHFFFAOYSA-N 313.357 1.554 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1cc(C2CC2)[nH]n1 40497483 FEQZWNUJTYOQLV-UHFFFAOYSA-N 300.366 1.535 0 40 DDAB COCC(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 3956068 LQCQVQMFTHAKSQ-UHFFFAOYSA-N 304.394 1.332 0 40 DDAB O=C(Nc1cn[nH]c1)C1CCN(c2ccc(Cl)nn2)CC1 40512218 PTZFGZPTNAICJR-UHFFFAOYSA-N 306.757 1.708 0 40 DDAB CN1CCc2c(sc3c2c(N2CCCC2)nc2nnnn23)C1 20518111 BADMZHWIXWXMCO-UHFFFAOYSA-N 315.406 1.322 0 40 DDAB O=C(C[C@@H](NCCO)C(=O)O)Nc1cc(Cl)ccc1Cl 6888713 FUSIRQYHAVDALZ-SNVBAGLBSA-N 321.160 1.357 0 40 DDAB CN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 6949688 IZHGJELSDIJHDB-UKTHLTGXSA-N 312.285 1.908 0 40 DDAB C[C@H](CCc1ccco1)NS(=O)(=O)c1ccc(C(N)=O)cc1 8876458 KXHPGQTVAAILHH-LLVKDONJSA-N 322.386 1.678 0 40 DDAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccccc1 101966052 CKETYMLHWZZHGX-BJBXXJATSA-N 300.310 1.610 0 40 DDAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C2=COCCO2)cc1 11444824 BHTJEQBLXTXDFB-SNVBAGLBSA-N 319.313 1.648 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CCNCC1 59498032 VNZIIHAUSYHSLR-UHFFFAOYSA-N 309.797 1.703 0 40 DDAB CCN1CC[C@]2(CCCN(C(=O)C3CCOCC3)CC2)C1=O 108531283 NAZCEAUAVODXBK-KRWDZBQOSA-N 308.422 1.664 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)NC(C3CC3)C3CC3)n2)cc1 21650112 HNTGEVZIYQTWCD-UHFFFAOYSA-N 311.389 1.953 0 40 DDAB CCCCNC(=O)Cc1noc(CSc2nc(C)n[nH]2)n1 32913787 MZRXZLFDTIWXNU-UHFFFAOYSA-N 310.383 1.247 0 40 DDAB Cc1cc(N2CCN(CCOc3ccccc3)CC2)nc(N)n1 32908937 LEUSPFGBEZYWPF-UHFFFAOYSA-N 313.405 1.568 0 40 DDAB C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)n1cncn1 45882083 YTSDJFULIVZGLA-FZMZJTMJSA-N 305.357 1.397 0 40 DDAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cnn1C 40480764 WILFDVJIWBUKIB-JTQLQIEISA-N 301.346 1.991 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nncn1-c1ccccc1 6820843 MDQVQNSBJFYLFU-VIFPVBQESA-N 305.363 1.204 0 40 DDAB CCOc1ccc(OCCNC(=O)[C@H](NC(C)=O)C(C)C)cc1 7899638 KRDHKKARNDQAAZ-MRXNPFEDSA-N 322.405 1.741 0 40 DDAB C[C@H](OC[C@@H](O)CN1CCNC(=O)C1)c1ccc(Cl)cc1 23389871 DCWMWVHRBRUTHZ-FZMZJTMJSA-N 312.797 1.210 0 40 DDAB C[C@H](C(=O)NCc1ccccc1)N1CCN(c2ccccn2)CC1 23995512 PKLQVVAEFXTBIA-MRXNPFEDSA-N 324.428 1.909 0 40 DDAB CCOC(=O)c1cnn2c1nnc1c(OC)cc(OC)cc12 1413603 VZAAQQGVABYVLJ-UHFFFAOYSA-N 302.290 1.471 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1CC=CCC1 25289985 JALHMCXLEZZLCN-HNNXBMFYSA-N 301.390 1.891 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1cnn(C)c1 25304776 WVTHQJUQBVIPQL-CQSZACIVSA-N 318.352 1.952 0 40 DDAB C[C@H](NCC1(c2ccc(F)cc2)CCCC1)C(=O)NC(N)=O 56160075 JOPZAPHMKFUFDL-NSHDSACASA-N 307.369 1.811 0 40 DDAB COc1ccc(-c2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1OC 22124167 WGRDOKBRGBKJLV-UHFFFAOYSA-N 304.302 1.390 0 40 DDAB CC1(C)C[C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)CCO1 61721600 KQWBUFXMSKGKFQ-NSHDSACASA-N 315.373 1.539 0 40 DDAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(CCO)CC1 58013777 ZELXOBRCRJYPOB-CYBMUJFWSA-N 302.378 1.408 0 40 DDAB C[C@H]1CN(C(=O)Cn2c(-c3cccs3)n[nH]c2=S)CCO1 10213138 CZIRXKBKAVHRRW-VIFPVBQESA-N 324.431 1.916 0 40 DDAB CCC(=O)NCC(=O)NCc1ccnc(OC2CCCCC2)c1 58224840 UFLXJPJXMBTZIX-UHFFFAOYSA-N 319.405 1.936 0 40 DDAB CCCOc1ccccc1OCC(=O)NCc1nncn1C 44915205 TVFBMSKQDURBBQ-UHFFFAOYSA-N 304.350 1.299 0 40 DDAB O=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCOCC1 44917431 DWRMYEURPWFRCB-UHFFFAOYSA-N 312.753 1.653 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)N(C)C1CCCCC1 44935914 BURRVYZMTBVVOV-LBPRGKRZSA-N 300.428 1.371 0 40 DDAB COC(=O)[C@](NC(C)=O)(Nc1nc(C)cs1)C(F)(F)F 2227401 GDDARBRITWVNCO-VIFPVBQESA-N 311.285 1.431 0 40 DDAB COC(=O)CC[C@@H]1NC(=S)N(Cc2ccc(F)cc2)C1=O 12769661 VBZWDOXGNJRATB-NSHDSACASA-N 310.350 1.364 0 40 DDAB CN(CCC(=O)O)C(=O)Cc1ccc(Br)cc1 37931209 AGVZMGICULYGLT-UHFFFAOYSA-N 300.152 1.925 0 40 DDAB Cc1noc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)n1 48324376 XNYGRSCYPUPTIJ-JTQLQIEISA-N 323.374 1.170 0 40 DDAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[C@H]1CCCO1 48303835 FZCUSVAOFDFYDX-NWANDNLSSA-N 315.377 1.141 0 40 DDAB CCNC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1 3451356 ZCECXPQPCJMVND-UHFFFAOYSA-N 312.753 1.139 0 40 DDAB COc1cc(C=O)ccc1O[C@H](C)C(=O)NCC(F)(F)F 12931048 PQBIVXOMDIMUOB-MRVPVSSYSA-N 305.252 1.954 0 40 DDAB CCS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 63528488 XLCMDCWNWKDFDR-ZIAGYGMSSA-N 312.410 1.539 0 40 DDAB Cc1ccc(NC(=O)NC(=O)CSc2nncn2C)cc1C 16675355 DBAPIJPRCKTDOS-UHFFFAOYSA-N 319.390 1.872 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCOC23CCN(C)CC3)cc1 13729097 AQOJYPPRKNFRRI-VMPITWQZSA-N 316.401 1.989 0 40 DDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(F)c1 6308057 QWHKZODAKWGNLH-CYBMUJFWSA-N 324.377 1.808 0 40 DDAB COc1ncnc2c1CN(C[C@@H](O)c1ccccc1F)CC2 65457974 CLLVZJCJOKHIEU-OAHLLOKOSA-N 303.337 1.716 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCC(Cn3cccn3)CC2)CC1 65623812 BGXBMEOSZAIHTA-GOSISDBHSA-N 320.481 1.688 0 40 DDAB Cc1cc(C)cc(N(C)C(=O)CCSc2nnnn2C)c1 65861940 INPWLSLLOCSFAM-UHFFFAOYSA-N 305.407 1.972 0 40 DDAB CCNC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CCCO2)c1 7694457 JUJKLXXWJWENPS-CYBMUJFWSA-N 320.345 1.097 0 40 DDAB Cc1nnc2n1CCN(Cc1csc(-c3cnn(C)c3)n1)C2 69487834 JCMJCQQEZSYKSO-UHFFFAOYSA-N 315.406 1.459 0 40 DDAB c1cnn(C[C@@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)c1 69451588 OOFDTRRAURMUKA-ZDUSSCGKSA-N 315.333 1.427 0 40 DDAB CCc1nnc2n1CCN(Cc1nccn1CC(F)(F)F)C2 69436876 BGEJOBNBDUTNAC-UHFFFAOYSA-N 314.315 1.615 0 40 DDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)c1ccccc1-n1cnnn1 69452002 LBZLXCRWFAHPRR-UHFFFAOYSA-N 324.226 1.052 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccccc1F 71794647 AUROIEXKJXTCGH-GFCCVEGCSA-N 321.396 1.370 0 40 DDAB CC(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(N)=O)C1 96416954 TXFYSWCRUAYUMD-LSDHHAIUSA-N 304.390 1.214 0 40 DDAB CCN(C)CCNC(=O)c1ccn(-c2ccc(OC)cc2)n1 69737141 QUTMCEDSBWYFDC-UHFFFAOYSA-N 302.378 1.562 0 40 DDAB O=C1c2ccccc2CN1CC(=O)N1CCC[C@@H]1Cn1cccn1 69706748 URRGHIXKPNMTIK-OAHLLOKOSA-N 324.384 1.530 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)cc2OC)CC1 69870747 BYQIMYOQHRCBMO-CYBMUJFWSA-N 322.405 1.233 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 69845086 XTKZJBKOYIYIFZ-STQMWFEESA-N 302.382 1.462 0 40 DDAB C[C@@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)O1 69879303 LWNJGHKSPIDQOE-GFCCVEGCSA-N 312.435 1.376 0 40 DDAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)NC[C@H]1CCCO1 8756549 GDDYWSQMKMCSRK-MWLCHTKSSA-N 310.423 1.468 0 40 DDAB CC1CCN(C[C@@H](O)Cn2c(CO)nc3ccccc32)CC1 71824986 NBIDFACTBSXNFW-CQSZACIVSA-N 303.406 1.621 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CN2CSCC2=O)n1 71870059 RYFFZLNFOXUDTO-CYBMUJFWSA-N 322.434 1.024 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)s1 71865403 PFPJYWKDBHYEJO-NSHDSACASA-N 318.402 1.738 0 40 DDAB CS(=O)(=O)CCSCc1nc2ccsc2c(=O)[nH]1 71884095 KPDCQDIYRLHWMI-UHFFFAOYSA-N 304.418 1.262 0 40 DDAB COc1ccccc1CCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C 71829871 DYYGCUAISZZXSH-TZMCWYRMSA-N 304.390 1.740 0 40 DDAB Cc1cncc(C(=O)NCCN(C)C(=O)c2cncc(C)c2)c1 119367973 UKQSDUNAYINCGW-UHFFFAOYSA-N 312.373 1.595 0 40 DDAB CCn1ccnc1CN[C@H]1CCCN(Cc2noc(C)n2)C1 75130880 CUQZOZVMVKTNDQ-ZDUSSCGKSA-N 304.398 1.349 0 40 DDAB Nc1nc(Cn2nc(C(F)(F)F)ccc2=O)nc2ccccc12 89866713 MBKRKIFJDBUOCA-UHFFFAOYSA-N 321.262 1.836 0 40 DDAB O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 72286001 NKQIOAXMLBKGIJ-RYUDHWBXSA-N 317.349 1.595 0 40 DDAB CC(C)Oc1cccc(CNC(=O)CN2CCN(C)C[C@H]2C)c1 89939085 RHVADWRHNODUQD-OAHLLOKOSA-N 319.449 1.726 0 40 DDAB C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)C[C@H]1N(C)C 76051116 NAQLPLVWDKHJIC-ZUZCIYMTSA-N 317.364 1.689 0 40 DDAB CC(C)[C@@H](Nc1nnc(C(F)F)s1)C(=O)N1CCOCC1 95449475 XWWMPPGAZKWFLU-MRVPVSSYSA-N 320.365 1.771 0 40 DDAB O=C(NCCN(CC1CC1)C1CC1)N1CC[C@@]2(CCOC2)C1 95410566 GJRXYGNJVSGPCA-QGZVFWFLSA-N 307.438 1.683 0 40 DDAB CCNC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2F)C1 95442958 YPAYWTKWAFRKRE-CQSZACIVSA-N 322.380 1.960 0 40 DDAB CC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1C[C@@H](C)O 84736448 PGGYZSXEFHOUIK-CZUORRHYSA-N 323.481 1.068 0 40 DDAB Cc1nc(CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)n[nH]1 95960342 MYJZBYHRGKCJJM-UHFFFAOYSA-N 318.356 1.602 0 40 DDAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1O 85878392 SBJXYTJZMCFYFY-JTQLQIEISA-N 301.298 1.839 0 40 DDAB biogenic COC(=O)c1ccc([C@@H](C)N(C)C[C@@H]2CCN(C(C)=O)C2)o1 89266560 OPWJRTOSZZFOIH-YPMHNXCESA-N 308.378 1.927 0 40 DDAB CCCN1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408962682 JFOKJUCUYJESKB-WQLSENKSSA-N 320.370 1.997 0 40 DDAB COc1cccc([C@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)c1 36023001 KBQZOQZWORZASV-XSLAGTTESA-N 318.369 1.913 0 40 DDAB CCNS(=O)(=O)c1ccc(OC)c(NC(=O)OCC)c1 408585334 DUCOVPWQPWADOT-UHFFFAOYSA-N 302.352 1.562 0 40 DDAB N[C@H]1CN(C(=O)NCc2cccc3c2CCNC3)CC12CCC2 1550739373 KJPZHGBRJRLWFU-INIZCTEOSA-N 314.433 1.355 0 40 DDAB CON(C)C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 36037301 PPECVTPOMJZHRW-BMIGLBTASA-N 311.382 1.143 0 40 DDAB COc1ccccc1S(=O)(=O)NC1(C(=O)O)CCCCC1 36965402 BLMHDZFQIMIMJT-UHFFFAOYSA-N 313.375 1.761 0 40 DDAB C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)[C@H](C(N)=O)C1 188581558 WFEQXJHOKRVCSR-WBMJQRKESA-N 300.402 1.830 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1c1ncccn1 72324145 OZWWHRWVWYYTEU-ZDUSSCGKSA-N 324.340 1.267 0 40 DDAB C[C@H](O)C1CCN(C(=O)Cn2nnnc2-c2ccsc2)CC1 563959581 JFUXFEOSRIESSK-JTQLQIEISA-N 321.406 1.021 0 40 DDAB C[C@H]1C(c2ccccc2)=Nn2c(=O)n(-c3ccccc3)c(=O)n21 31740787 WYJFVPKJDKPEIY-LBPRGKRZSA-N 306.325 1.628 0 40 DDAB Cc1noc(CCNCc2cc3cccc4c3n(c2=O)CC4)n1 72206575 ZZFZCLNMVJXDFX-UHFFFAOYSA-N 310.357 1.581 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1(C)C 72931818 XHUOVUCTEGSFCL-YVEFUNNKSA-N 315.373 1.857 0 40 DDAB C[C@H]1CC(=O)c2cc(C(=O)NCc3ccccn3)c(=O)[nH]c2C1 49551850 JFAFBIOYGLXUBL-SNVBAGLBSA-N 311.341 1.465 0 40 DDAB COC(=O)C1[C@@H]2C3C4[C@H]1[C@H]1C[C@H]1[C@H]4C(C(=O)OC)[C@H]3[C@@H]1C[C@H]21 44143901 IBCKSPPYENJLNL-LAYYFINKSA-N 302.370 1.589 0 40 DDAB CCOc1cc(N2CCC(n3cc(N(C)C)cn3)CC2)ncn1 521395237 FVDCJFYAHJUGCR-UHFFFAOYSA-N 316.409 1.979 0 40 DDAB C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCCc2nn(C)cc21 573782981 LZQAEKBVISVTLT-QMTHXVAHSA-N 312.439 1.362 0 40 DDAB O=C1CC[C@]2(C(=O)NC[C@@H]3CC4CCC3CC4)SCCN12 521629604 WRQPWUQCFXHTPP-GAWYNMALSA-N 308.447 1.994 0 40 DDAB CCNS(=O)(=O)CCNC(=O)C[C@H](C)c1cccc(F)c1 96407563 RERUXAXNWMJNRA-NSHDSACASA-N 316.398 1.375 0 40 DDAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCC(O)CC2)n1 96182801 KGPZUTNQZFRWNG-UHFFFAOYSA-N 304.394 1.372 0 40 DDAB C[C@@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCSCC1 97379376 KREOUJCJJIPVEJ-DZGCQCFKSA-N 323.462 1.362 0 40 DDAB CCS(=O)(=O)[C@@](Cl)(I)C(C)=O 96518293 VRWSIJVORSIFNI-YFKPBYRVSA-N 310.540 1.338 0 40 DDAB COCCO[C@@H]1CCN(C2CCOCC2)[C@H]1Cc1cnn(C)c1 96200238 UKTFTQLNCZJQSI-DLBZAZTESA-N 323.437 1.248 0 40 DDAB O=C(O)[C@@H]1CCCN(c2nccn(-c3ccc(F)cc3)c2=O)C1 96530532 LLYYUXHFGHYVNP-LLVKDONJSA-N 317.320 1.673 0 40 DDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)CC3CC3)C1)COC2 96244038 BRZDYJZQZFBENM-QGZVFWFLSA-N 316.405 1.343 0 40 DDAB C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1C1CCC1 96109729 RADGNQQABHRVGW-LBPRGKRZSA-N 306.410 1.417 0 40 DDAB CN(C)C(=O)CN1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccncc1 96200330 OXRAWRXBBFHOED-DLBZAZTESA-N 317.433 1.582 0 40 DDAB Cn1cncc1CN1CCO[C@H]2[C@@H]1CC[C@@H]2Cn1ccnc1 96250233 ZQONSCPOQSCEHM-VNQPRFMTSA-N 301.394 1.296 0 40 DDAB O=C(C1CC1)N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 536575052 QBYLRBBRYBQYJR-UHFFFAOYSA-N 312.417 1.901 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1nccn1C 257332210 XWGPKIDBHUTTSS-QDEZUTFSSA-N 316.405 1.424 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)n(C)n1 257208684 BNFALGCVKQBTSX-HNNXBMFYSA-N 317.393 1.555 0 40 DDAB Nc1cc(CC[C@@H]2CN(C(=O)c3cnco3)CCO2)ccn1 257309231 UACHAGIAKQEDEE-GFCCVEGCSA-N 302.334 1.126 0 40 DDAB CO[C@H]1CN(C(=O)COc2ccc(F)cc2)C[C@@]12CCCO2 257276011 NRZXBXJCSFMIDJ-HOCLYGCPSA-N 309.337 1.611 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCc1cccnc1 257207637 BIOKGZIJAYMNHU-AWEZNQCLSA-N 300.362 1.646 0 40 DDAB CC[C@H](NC(=O)NC[C@@H]1CC[C@@H](O)C1)c1c(C)nn(C)c1C 252572406 ZFUIQJLHHZFNIJ-MCIONIFRSA-N 308.426 1.948 0 40 DDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)[C@H]1O 257223376 DXBCEUSWAQZDJN-RBSFLKMASA-N 300.362 1.471 0 40 DDAB CC(C)Oc1ccc(NC(=O)[C@]23C[C@H]2CN(C)S3(=O)=O)cc1 260838416 RQZQUNPJRBMQGA-NHYWBVRUSA-N 324.402 1.446 0 40 DDAB COc1ccnc(N2CCN(C(=O)COCC3CC3)CC2)c1 264212455 UDDZQQCBARVCSK-UHFFFAOYSA-N 305.378 1.165 0 40 DDAB O=C(N1CC2(C[C@H](Oc3cnccn3)CCO2)C1)C1(F)CCC1 575406532 YKUDUYBLZFOGGE-GFCCVEGCSA-N 321.352 1.508 0 40 DDAB NC(=O)c1nc(Cc2ccccc2)n(Cc2cc(C3CC3)no2)n1 664087160 XDARPQLJRRXWAK-UHFFFAOYSA-N 323.356 1.882 0 40 DDAB c1cc2n(n1)[C@@H](CCN1CCCC1)CN(C1CCOCC1)C2 585111936 DWTOMXRXJVGAAK-KRWDZBQOSA-N 304.438 1.905 0 40 DDAB CCOC(=O)c1cnc(NCc2nc(C(F)F)no2)nc1C 585142022 MFOGDYCDUSASMW-UHFFFAOYSA-N 313.264 1.894 0 40 DDAB C=CC(=O)N1CCC[C@H]1c1cc(Nc2cc(C)[nH]n2)nc(C)n1 585292298 ZUGQJRCZRYRLEZ-ZDUSSCGKSA-N 312.377 2.410 0 40 DDAB CCOC(=O)CCNC(=O)c1ccc(OC)c(OC(F)F)c1 58182305 BIIVLJSQXXFUHK-UHFFFAOYSA-N 317.288 1.980 0 40 DDAB Cn1cnc([C@H]2CN(C(=O)NCC3CCC(F)CC3)C[C@@H]2N)c1 1553509156 XXEUTUVRSJEIKB-HOAMVYINSA-N 323.416 1.385 0 40 DDAB CC(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2C)CC1 74860963 VQPIGIBUUAHVDI-UHFFFAOYSA-N 324.446 1.673 0 40 DDAB COCCOc1ncccc1C(=O)N1C[C@@H](N(C)C)[C@H](C)C1 76051642 SNKNQCSTULRFEL-TZMCWYRMSA-N 307.394 1.129 0 40 DDAB CNC(=O)c1cccc(N2C[C@@H](O)C[C@@H]2C2CCCCC2)n1 78260250 NHQHXKJFRPEMGA-DZGCQCFKSA-N 303.406 1.961 0 40 DDAB O=C(Cn1ncc2ccccc21)N[C@@H](C(=O)O)c1ccccc1 97017998 XJWOGYUQNHKTBZ-MRXNPFEDSA-N 309.325 1.978 0 40 DDAB CCOc1ncc(NS(=O)(=O)Cc2ccccc2F)cn1 585433341 KMHNOIDHLZOIGS-UHFFFAOYSA-N 311.338 1.956 0 40 DDAB CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC[C@@H]2CCCO2)C1 76067590 VXVABHFRRQBWKJ-HZSPNIEDSA-N 300.468 1.888 0 40 DDAB CCC[C@H](SC[C@@H](O)C(=O)O)c1c(OC)cc(=O)oc1C 1772591699 LOWKEDJATFYGFQ-KOLCDFICSA-N 316.375 1.977 0 40 DDAB Cc1ccc(S(=O)(=O)NCCOCCO)c2ccccc12 12291193 IVLOTGJZLBNKLL-UHFFFAOYSA-N 309.387 1.435 0 40 DDAB CCCC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19501633 ZGHQDJNBPHLYCE-UHFFFAOYSA-N 302.422 1.971 0 40 DDAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N/C1=C/c1c[nH]cn1 107434715 ITXQTTPWGBFRNK-SMCAMXITSA-N 321.340 1.089 0 40 DDAB biogenic,in-vitro Cc1nn(C)c(C)c1C(=O)NC1CCN(c2cnsn2)CC1 575616348 NFRWNZBISIPEIT-UHFFFAOYSA-N 320.422 1.287 0 40 DDAB COc1ncccc1C(=O)N1CCN(C(=O)C2CCCC2)CC1 31194719 CNEKMUDDMHJOBC-UHFFFAOYSA-N 317.389 1.565 0 40 DDAB Cc1cnccc1O[C@@H]1CCN(c2nccn(C3CC3)c2=O)C1 1889085233 LRNZEVDBCIBZFO-CQSZACIVSA-N 312.373 1.939 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCO[C@H](C)C1 24014609 WQIZELBEQNLAMP-LLVKDONJSA-N 321.377 1.313 0 40 DDAB O=C(NCc1nnc2c(O)nccn12)c1ccc2ncccc2c1 244986106 JGFSERURLGITQQ-UHFFFAOYSA-N 320.312 1.308 0 40 DDAB O=C(N1Cc2[nH]nc(COc3cccnc3)c2C1)C1(F)CC1 1565547042 JRPHNBUZLKOJEL-UHFFFAOYSA-N 302.309 1.728 0 40 DDAB CC1CC(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)C1 1565553417 YDWGRBZWIIVQQE-UHFFFAOYSA-N 319.449 1.236 0 40 DDAB O=C(NCCc1ccccc1)c1c(O)nc2ccccn2c1=O 9830220 NUAMUHJTSPHQPR-UHFFFAOYSA-N 309.325 1.373 0 40 DDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCCN(C(=O)C3CC3)C2)C1 2055839518 AGTZGZOBMYSMQK-WMLDXEAASA-N 316.405 1.473 0 40 DDAB CSCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 1775967563 WSKQQKBZZVSMDL-SECBINFHSA-N 318.345 1.134 0 40 DDAB O=C(Cc1cccnc1)N1CC(N2CCc3sccc3C2)C1 585324987 XDTZGGIULYQELJ-UHFFFAOYSA-N 313.426 1.955 0 40 DDAB O=C(NCCCN1CCCC1=O)NCCc1ccc(F)cc1 36397726 NKQWYXCAWQXBMJ-UHFFFAOYSA-N 307.369 1.680 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2COCCO2)c(OC)c1 30684339 MULJWUJTMVYWKE-GOEBONIOSA-N 321.373 1.783 0 40 DDAB COC(=O)CNC(=O)c1ccc(OCc2cccnc2)cc1 40498514 PVUCAPXMAQTFTL-UHFFFAOYSA-N 300.314 1.563 0 40 DDAB COc1ccc(OC)c2c1CN(CC(=O)NC(C)C)C[C@H]2O 40474033 UHITTZIBJUSGHC-GFCCVEGCSA-N 308.378 1.077 0 40 DDAB COc1ccccc1CC(=O)N1CCN(c2cnccn2)CC1 11086488 SHXFZMWEGHXBJF-UHFFFAOYSA-N 312.373 1.377 0 40 DDAB O=C1CN(C(=O)c2occc2COc2ccccc2)CCN1 28630196 ZRVOJUBMLSAHEM-UHFFFAOYSA-N 300.314 1.431 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1Cc1nc(-c2ccsc2)no1 28659261 QFADGYRJFLCZBM-NSHDSACASA-N 306.391 1.851 0 40 DDAB O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccccn2)CC1 51319541 QNUBOPWHTVVRGL-UHFFFAOYSA-N 311.389 1.646 0 40 DDAB CC1=NNC(=O)[C@H]1CCNC(=O)[C@H](C)Oc1cccc(C)c1 101128357 AKMKEZKQNIKCNY-JSGCOSHPSA-N 303.362 1.391 0 40 DDAB CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 100886062 XWYTZJYDSLCDCZ-ADAWSYLGSA-N 319.401 1.910 0 40 DDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cccc(C)c3)N2N1 10152959 AEEWDJBKXIEXLW-LBPRGKRZSA-N 313.361 1.250 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 11660856 DPVRQGNFMYDEPM-CQSZACIVSA-N 324.402 1.127 0 40 DDAB CN(C)C(=O)CCNC(=O)N(Cc1ccccc1F)C1CC1 71793572 VRVHDIUEOPDYBQ-UHFFFAOYSA-N 307.369 1.978 0 40 DDAB CCc1nnsc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 46047275 KZYCAVBLRKVPNV-GFCCVEGCSA-N 324.450 1.427 0 40 DDAB CN(C)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 105316954 HBRUKNFHNMUOJI-UMPJEAMMSA-N 316.357 1.735 0 40 DDAB C[C@@H](CNC(=O)c1cccnc1N1CCCC1)N1CCOCC1 46269018 JRXZABIENSIYJQ-AWEZNQCLSA-N 318.421 1.132 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(Cl)c1 102986736 UPDCFPUVRJJPBA-RBJBARPLSA-N 316.744 1.792 0 40 DDAB NC(=O)CSc1nnc(SC[C@H]2CCCCO2)s1 22533604 TUKAFAWXNRXQNF-SSDOTTSWSA-N 305.450 1.777 0 40 DDAB C[C@H]1CN(C(=O)c2cccnc2N2CCOCC2)C[C@@H](C)O1 22836309 YUCZQPDQRCGSSH-BETUJISGSA-N 305.378 1.168 0 40 DDAB CN(Cc1cccc(Cl)c1)Cc1cc(=O)n(C)c(=O)n1C 56671813 FGONWAPHKDAUJG-UHFFFAOYSA-N 307.781 1.369 0 40 DDAB CCCCNC(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 23479134 WXGFOXDNJNENTP-GFCCVEGCSA-N 309.414 1.553 0 40 DDAB CCc1ccc(N2C[C@H](C(=O)NCCCOC)CC2=O)cc1 21449742 QPCFIJNPFYKJCX-CQSZACIVSA-N 304.390 1.755 0 40 DDAB O=C(CCc1nccs1)N1CCC(N2CCNC2=O)CC1 55316351 UIKKMTJDEIAHPP-UHFFFAOYSA-N 308.407 1.092 0 40 DDAB C[C@@H]1C[C@H](N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)C(=O)O1 106663121 BCCNITULEWQSFM-WZRBSPASSA-N 320.393 1.330 0 40 DDAB CCC[C@H](NC(C)=O)C(=O)NCc1ccc(-n2cccn2)nc1 55731903 ICJPGICDLOTZSD-AWEZNQCLSA-N 315.377 1.188 0 40 DDAB CCCCc1nc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)no1 106906910 FYFPBJQMUNYTNZ-UONOGXRCSA-N 310.442 1.689 0 40 DDAB CCO[C@@H](C)C(=O)N[C@](C)(CNC(=O)[C@@H](C)OCC)C(C)C 107050225 NHNFHJDBVKMHQP-DVOMOZLQSA-N 316.442 1.484 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCC(c2nnc3n2CCC3)CC1 57146120 NUUHLLNBRXNDSB-ZDUSSCGKSA-N 304.394 1.499 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)no1 24717027 UKCDMPRTVHIRKK-LLVKDONJSA-N 322.409 1.463 0 40 DDAB CN1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O 44295506 UEWTXWYSQKGHLE-ZDUSSCGKSA-N 319.380 1.343 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 113939257 YYJKBWDYQHSSNN-SECBINFHSA-N 320.361 1.646 0 40 DDAB CC(=O)NCc1ccc(C(=O)NC[C@H]2CCCN(C)C2)s1 108339530 ZVCBLYWTBBFHEQ-GFCCVEGCSA-N 309.435 1.456 0 40 DDAB CN(C)[C@H](CNC(=O)Cn1ccccc1=O)c1cccs1 44516307 UALOUVUSIREWRJ-GFCCVEGCSA-N 305.403 1.329 0 40 DDAB Cn1cc(NC(=O)COCCOc2ccccc2)ccc1=O 58162406 UVXGMBQUKHRGLG-UHFFFAOYSA-N 302.330 1.419 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 21820481 MMGKRYCQDAHNTG-LBPRGKRZSA-N 310.419 1.886 0 40 DDAB CC(C)NC(=O)CN(C)Cn1c(=O)oc2ccc(Cl)cc21 44848338 RLBXHTDMDYLYCX-UHFFFAOYSA-N 311.769 1.662 0 40 DDAB C[C@H]1CCCN(C(=O)Cn2nnc(COc3ccccc3)n2)C1 44872173 SMKVDGJFMHSQPY-ZDUSSCGKSA-N 315.377 1.511 0 40 DDAB OCCN1CCC(CNCC2=Cc3ccccc3OC2)CC1 69392239 VUKCJXITFAQJJT-UHFFFAOYSA-N 302.418 1.756 0 40 DDAB O=C(Cn1c(-c2ccccc2)noc1=O)NCc1cccs1 58210117 SUMGPIMNJYGWRU-UHFFFAOYSA-N 315.354 1.881 0 40 DDAB O=C(NS(=O)(=O)c1ccc2c(c1)COC2)[C@@H]1C[C@H]1C1CCC1 408500267 OIXCWOZTQWTIBS-LSDHHAIUSA-N 321.398 1.958 0 40 DDAB CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCO2)cn1 44966239 FODRUKVMDFSGOB-AWEZNQCLSA-N 306.410 1.906 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)[C@@H]1CCCO1 27870194 KGQBLCNMHCRKCW-OCCSQVGLSA-N 318.373 1.486 0 40 DDAB CN(C)C(=O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58323983 YNIAPTDZLIITAN-AWEZNQCLSA-N 321.396 1.242 0 40 DDAB O=c1[nH]cccc1NS(=O)(=O)c1cccc2ncccc12 58366749 PDAXGIHLQKFBOJ-UHFFFAOYSA-N 301.327 1.724 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cc3ccccc3n2C)CC1 70016085 MPXZMAOMBBMGHP-ZDUSSCGKSA-N 301.390 1.317 0 40 DDAB Cc1ccc(CC(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cn1 70016253 VKNLIPHMJAOLRS-INIZCTEOSA-N 319.449 1.484 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)OCc3nnc(C)o3)CC2=O)cc1 12783032 VYKUMQQNWOXYDT-LBPRGKRZSA-N 315.329 1.783 0 40 DDAB COC(=O)c1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)o1 48356212 QMUGGBRHTQFXRJ-LBPRGKRZSA-N 311.301 1.512 0 40 DDAB COCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 48343672 YMSLSSZONMNPKP-UHFFFAOYSA-N 304.268 1.749 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(N)cc(=O)[nH]1 12928902 AVXOZHMKKLMKHP-SNVBAGLBSA-N 318.402 1.630 0 40 DDAB O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)NCC(F)(F)F 12911083 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NC(=O)N1CCCN(C(=O)C2(c3ccccc3)CCC2)CC1 65626295 SVUDWUAMTXHNDT-UHFFFAOYSA-N 301.390 1.721 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3cc(C)no3)CC2)n1 69665033 IDKGHUPYRZLAKA-UHFFFAOYSA-N 317.349 1.134 0 40 DDAB CCCN1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1 14252367 MRXQNVMVRUJJHK-UHFFFAOYSA-N 312.435 1.848 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nn1 69808040 UAZBTFGEVSZBSM-HNNXBMFYSA-N 318.421 1.781 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 69969262 YMQSRCLBMUFJFV-NVXWUHKLSA-N 302.418 1.632 0 40 DDAB Cc1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)cn1 69969213 AVGVPLYLWNDQGX-UHFFFAOYSA-N 311.389 1.461 0 40 DDAB OCCN[C@@H](c1ccccc1)[C@@H](NCCO)c1ccccc1 19371083 VPCWFGUIHDFUPC-ROUUACIJSA-N 300.402 1.633 0 40 DDAB CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccco1 9125548 RBNKJWBNFDNEEE-UHFFFAOYSA-N 300.318 1.520 0 40 DDAB c1ccc2[nH]c(CN3CCN(CCn4cccn4)CC3)nc2c1 93273112 BBVFNKMYXNBZBH-UHFFFAOYSA-N 310.405 1.577 0 40 DDAB Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 9203787 ZIIWEONSMMFKSB-UHFFFAOYSA-N 317.164 1.484 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 96000551 STJMIHZQJJMEAV-ZDUSSCGKSA-N 323.374 1.449 0 40 DDAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)NC(=O)NCC)n1 9349505 RYOTUAKBVGFGNE-QMMMGPOBSA-N 312.395 1.049 0 40 DDAB CC(C)[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCCN1CC1CC1 71681396 MUKULMQRRAFEFV-MRXNPFEDSA-N 317.433 1.957 0 40 DDAB CCn1nc(C)cc1C(=O)NCC[S@@](=O)c1ccccc1 71896485 NQNZAVAYULARRX-NRFANRHFSA-N 305.403 1.749 0 40 DDAB C[C@@H]1CN(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)CCO1 71821630 ZRURDTZQGQXPDC-GFCCVEGCSA-N 318.421 1.612 0 40 DDAB CC[C@H]1CN(C(=O)CNc2ccc(F)c(C(=O)OC)c2)CCO1 71830882 YICNHISWKAQUOQ-LBPRGKRZSA-N 324.352 1.662 0 40 DDAB COc1ccc(N(CC(=O)N(C)C)S(C)(=O)=O)cc1Cl 22273633 JFNQPVYQBDYRCS-UHFFFAOYSA-N 320.798 1.203 0 40 DDAB O=C([C@@H]1COCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820027 NPRJMNQMKYKRDY-KGLIPLIRSA-N 311.765 1.655 0 40 DDAB C[C@@H](NC(=O)CCn1cncn1)c1nc2c(s1)CCCC2 71896307 MPBCSPFXUBNWHV-SNVBAGLBSA-N 305.407 1.881 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)C(C)C 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O=c1[nH]c(N2CCC[C@H](O)C2)nc2c1cnn2-c1ccccc1 78804438 RIIBZMSHDUZIPZ-LBPRGKRZSA-N 311.345 1.070 0 40 DDAB CC1(C)CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)C1 95997714 IDDYMLJYRBQMIE-STQMWFEESA-N 320.414 1.949 0 40 DDAB O=C(c1cccc(-n2ccnn2)c1)N1CCC(n2ccnn2)CC1 95979319 CQVQVDHVLFOWGR-UHFFFAOYSA-N 323.360 1.336 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)Cn1c(C)cc2ccccc21 95964558 LBQXASCOXBWSDM-UHFFFAOYSA-N 312.329 1.273 0 40 DDAB C[C@H](C1CC1)N(C)CC(=O)NCc1cnn(-c2ccccc2)n1 95951850 KFPUTKLCPIOEFU-CYBMUJFWSA-N 313.405 1.614 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CCCN(CC3(CO)COC3)C2)nc1 89129175 SWKIGPFORYYTFE-CQSZACIVSA-N 319.405 1.049 0 40 DDAB Cn1cc(Cl)cc1CNC(=O)CCSc1nnnn1C 79097670 GEWOPJZAQNIMPQ-UHFFFAOYSA-N 314.802 1.001 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2F)C1 65404052 ARGKMBXNSIWCBY-CYBMUJFWSA-N 321.396 1.555 0 40 DDAB CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@]3(C)CO)cc21 546821953 OKFXIXOWECOBDM-QGZVFWFLSA-N 302.374 1.903 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1C 77845045 CGOGFXBWZRMWTQ-ZBEGNZNMSA-N 310.369 1.986 0 40 DDAB O=C(O)CN1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79413984 AFFVZVDFHIHCDO-OAHLLOKOSA-N 318.373 1.947 0 40 DDAB Cc1c(OCC(=O)Nc2c(F)cccc2F)c(=O)ccn1C 524732590 QRXFARJIHKVPIT-UHFFFAOYSA-N 308.284 1.989 0 40 DDAB COc1ccc([C@H](CC(=O)Nc2cnn(C)c2)NC(C)=O)cc1 40512499 HZQOQAPIJDXGIB-HNNXBMFYSA-N 316.361 1.635 0 40 DDAB CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc[nH]2)NC(=O)NC1 40549111 LCZDOUUAZIDWAL-AWEZNQCLSA-N 318.377 1.282 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 79412682 BFDWAKAMFAYIKM-JSGCOSHPSA-N 305.378 1.251 0 40 DDAB Cc1c(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cnn1C 72344641 IGMMXLDVTVYHMY-CQSZACIVSA-N 314.455 1.022 0 40 DDAB Cc1cc(C)nc(N2CCN(C(=O)c3coc(C)n3)CC2)n1 72356333 GKQJZGAPCZMMDO-UHFFFAOYSA-N 301.350 1.352 0 40 DDAB CCO[C@@H]1C[C@@](O)(CNC2CCC(NC(C)=O)CC2)C1(C)C 189427089 UQSKFKYRAQUISP-OCUYMYNFSA-N 312.454 1.589 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 32604188 NPKXGOGLVSUHTO-JTQLQIEISA-N 323.823 1.114 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 79412700 NNWRFSQGMWKXDY-DZGCQCFKSA-N 319.405 1.499 0 40 DDAB Cc1cccc(CN2CCN(C[C@H](O)CN3CCCC3)CC2)c1 48366650 KQQBGDHEGMRUGS-LJQANCHMSA-N 317.477 1.569 0 40 DDAB O=C(NCC1(C2CC2)CC1)N1CCCN(C(=O)C2CC2)CC1 133360351 JOBBWPWRTXYYCQ-UHFFFAOYSA-N 305.422 1.831 0 40 DDAB CCn1cnc2c(c1=O)CCN(Cc1nc(C(F)F)no1)C2 567162209 YBXBPXIVQACDTG-UHFFFAOYSA-N 311.292 1.142 0 40 DDAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1)C(=O)O 567578748 HFHSDVOEVYFKBK-JTQLQIEISA-N 313.313 1.537 0 40 DDAB CO[C@H]1CN[C@@H](C(=O)NCc2cc(C)ccc2OC(F)F)C1 519683854 GXQYYYLHLIAXGX-VXGBXAGGSA-N 314.332 1.590 0 40 DDAB Cc1cc(C(=O)N2C[C@H](CNc3ncc(F)cn3)C[C@H]2C)no1 1068272896 ZBWKOOUUDGSFBZ-KOLCDFICSA-N 319.340 1.875 0 40 DDAB CCN1C[C@@H](NC(=O)N2CCCc3ccccc3CC2)CC1=O 333225628 WZUUFWXATZUGIQ-INIZCTEOSA-N 315.417 1.808 0 40 DDAB CN(C)S(=O)(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 80278778 YLGDDBABPICOTJ-LLVKDONJSA-N 303.815 1.315 0 40 DDAB O=C(CNc1ccccc1)N1CCCN(C2CCOCC2)CC1 195543832 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308.389 1.807 0 40 DDAB c1cnc(N2CCOC3(CCN(Cc4ccoc4)CC3)C2)nc1 96159014 WMHSKVFYZMKNFJ-UHFFFAOYSA-N 314.389 1.941 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96070330 ATQZYBAQDXZLQY-KBXCAEBGSA-N 309.369 1.761 0 40 DDAB COCCC1(C(=O)N2CCCN(C3CCOCC3)CC2)CCC1 96472933 DCRRYQDUHXFXPW-UHFFFAOYSA-N 324.465 1.907 0 40 DDAB O=C([C@@H]1CO[C@@H]2CCN(Cc3ccoc3)C[C@@H]2C1)N1CCCO1 96083214 JHNZPRSCNYXXKD-HRCADAONSA-N 320.389 1.671 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)NCC4CC4)O[C@@H]3C2)no1 96042901 KPCPYBZNXQKJKP-CWRNSKLLSA-N 319.405 1.489 0 40 DDAB COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c(O)n[nH]c1C 95474585 MZMDROHZLFBVON-LBPRGKRZSA-N 318.329 1.905 0 40 DDAB CO[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)(C)C 96443815 YESLBHZIZPQELJ-KGLIPLIRSA-N 310.438 1.812 0 40 DDAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)nn1C 96232842 QPIPZOXJGDOIJV-ZDUSSCGKSA-N 311.349 1.138 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccsc3)CCO2)n1 257256860 KNENPTCQCXXKJG-LBPRGKRZSA-N 305.359 1.766 0 40 DDAB COCCNC(=O)[C@@H](C)n1cc(COc2ccccc2)nn1 257173875 ZUDBNNPFRXXIQB-GFCCVEGCSA-N 304.350 1.181 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cc[nH]n3)n2)C1 257229805 FZOBPQVRYVTBBP-SNVBAGLBSA-N 307.379 1.006 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257250844 JOGCVLBQKXVJNX-HOTGVXAUSA-N 317.364 1.789 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)CCS1(=O)=O 252476845 CJHDONHIMNPFJY-IKOXMDCHSA-N 314.451 1.640 0 40 DDAB O=C1CN(C(=O)c2cncc(Cc3ccccc3F)c2)CCN1 257251040 JPDNYKSGPZBACT-UHFFFAOYSA-N 313.332 1.384 0 40 DDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CC1CC1 257315780 VCSYKAQRCITHJT-MRXNPFEDSA-N 304.394 1.066 0 40 DDAB COc1ccc(CN2CCC[C@@]2(C(N)=O)c2cnccn2)cc1 257286449 PLPUTEDEYKRMEN-KRWDZBQOSA-N 312.373 1.462 0 40 DDAB CN1C(=O)C2(CCN(CC(=O)O)CC2)C[C@@H]1Cc1ccccn1 257206778 BEWHHUJMBUPTOJ-AWEZNQCLSA-N 317.389 1.022 0 40 DDAB CN1C(=O)C2(CCN(CC(N)=O)CC2)C[C@H]1Cc1ccccc1 257312131 UMPUBANSQOSCJU-OAHLLOKOSA-N 315.417 1.027 0 40 DDAB 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CCN(CC)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 5952338 ZPAYFLWZDQKPQU-UHFFFAOYSA-N 314.407 1.330 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccn2C)CC1 11695622 UYGQNTUHZYENSV-AWEZNQCLSA-N 314.389 1.536 0 40 DDAB CCC(CC)C(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19500099 ZEWOWDGIFXQRJY-CYBMUJFWSA-N 302.422 1.874 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C 6259957 JXMHAPQBHAMYCC-VIFPVBQESA-N 302.371 1.407 0 40 DDAB COC(=O)c1ccc(-c2nnn(CCc3ccncc3)n2)cc1 151193497 AKFXDFVWHCZKPR-UHFFFAOYSA-N 309.329 1.764 0 40 DDAB CC(C)NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479668 SYPHDWCRQHTKHD-LLVKDONJSA-N 319.361 1.271 0 40 DDAB OC[C@@]1(Cc2ccccc2)CN(Cc2cscn2)CCO1 643914981 ZZTARHKOEAEXTK-MRXNPFEDSA-N 304.415 1.949 0 40 DDAB CC(C)CS(=O)(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 253472671 OJTYLBXJLYGNLJ-GFCCVEGCSA-N 315.391 1.067 0 40 DDAB O=C1NC(=O)[C@]2(CCN(c3nc4ccc(Cl)cc4s3)C2)N1 1888866569 PBPUVVNWIZZTFB-CYBMUJFWSA-N 322.777 1.738 0 40 DDAB COc1ccc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1 1889131799 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COc1cccc(CNc2nc3[nH]c4c(c(=O)n3n2)CCC4)c1 100641643 JXQIWANJEXOMCJ-UHFFFAOYSA-N 311.345 1.527 0 40 DDAB O=C(CN1C(=O)C[C@@H](c2ccccc2)C1=O)N1CCCCC1 100751645 AJHNGAHLVUANKP-AWEZNQCLSA-N 300.358 1.542 0 40 DDAB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CCC(=O)N3)c2O1 40522877 NQNYBZOSXDIKMV-GFCCVEGCSA-N 318.373 1.174 0 40 DDAB C[C@@H](NC(=O)CN1CCSCC1)c1ccc2c(c1)OCCO2 40540639 CUIOUMRQYMCXBM-GFCCVEGCSA-N 322.430 1.684 0 40 DDAB CN(CC1CC1)C(=O)CN1CCN(c2ccc(O)cc2)CC1 51154349 WPYLLGOCNRZQKP-UHFFFAOYSA-N 303.406 1.383 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1CCCO1 218710 PRJYPEDKGOTOJB-LLVKDONJSA-N 306.387 1.421 0 40 DDAB CC1=NNC(=O)[C@@H]1CCNC(=O)Nc1ccc2c(c1)OCCO2 101147519 UGGCXHBHJJGYJC-LLVKDONJSA-N 318.333 1.091 0 40 DDAB C[C@H]1NC(C(=O)NCc2ccco2)=NN(c2ccccc2)C1=O 32633039 GJSORYGHXRIQOZ-LLVKDONJSA-N 312.329 1.234 0 40 DDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nncs1 21213800 CQGUHVVJGGZMCF-SSDOTTSWSA-N 310.766 1.949 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(F)c1 29080131 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O=C(Nc1nncs1)N1CCC(CN2CCOCC2)CC1 47320276 JQSJFXMFNUKCJT-UHFFFAOYSA-N 311.411 1.114 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58185853 LURIRXVXULRNGL-INIZCTEOSA-N 321.352 1.365 0 40 DDAB O=C(NCCc1cccc(F)c1)c1ccccc1-n1cnnn1 44870338 HIFYYLFLOPCHRN-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 44872550 RGLFPMJUMHXLCE-RKDXNWHRSA-N 314.432 1.641 0 40 DDAB CNC(=O)CN1CCC(NC(=O)NC2CCCCCCC2)CC1 47618925 USDCDZRZISYPKW-UHFFFAOYSA-N 324.469 1.609 0 40 DDAB Cc1cc(C(=O)NCCCOCC(C)C)c2c(=O)[nH]n(C)c2n1 58203450 ZICLRSHWEKUOKD-UHFFFAOYSA-N 320.393 1.363 0 40 DDAB Cc1noc2ncc(C(=O)NCc3cccnc3N(C)C)cc12 44952470 PHQROPDAENYPNI-UHFFFAOYSA-N 311.345 1.922 0 40 DDAB CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccco2)c1 10356261 LDZSHXBSMDEKKM-UHFFFAOYSA-N 323.374 1.651 0 40 DDAB CN1N=C(C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O 58344535 XCYYKYWMOMLQTO-UHFFFAOYSA-N 320.418 1.289 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 36297090 FUFGMWHIBZEERY-JTQLQIEISA-N 308.325 1.817 0 40 DDAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)NC(N)=O 12540296 AOBXITMEAXCSTJ-SSDOTTSWSA-N 308.338 1.891 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 47747311 WDUCYUGCKFHAMC-NXEZZACHSA-N 313.375 1.068 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CN1C(=O)CCCc2ccccc21 69489812 JZOMRIUSLFUYLS-UONOGXRCSA-N 316.401 1.992 0 40 DDAB CCc1c(C(=O)NCC(=O)NC(C)(C)C)[nH]c(C)c1C(C)=O 48269708 YYHHVPIVCSMBKC-UHFFFAOYSA-N 307.394 1.733 0 40 DDAB O=C(COc1ncnc2ccccc12)NC(=O)NC1CCCC1 3513629 ULCDLSCZOVDHRK-UHFFFAOYSA-N 314.345 1.777 0 40 DDAB CC(C)CCNC(=O)CNC(=O)c1ccc(Br)o1 13013289 HPUWCSCDCOSCQX-UHFFFAOYSA-N 317.183 1.934 0 40 DDAB CCc1nc2cc(NC(=O)[C@@H](C)NS(C)(=O)=O)ccc2o1 63094951 PUXISZDJTYEYQO-MRVPVSSYSA-N 311.363 1.266 0 40 DDAB NC(=O)COc1cccc(CN2C(=O)c3ccccc3C2=O)c1 64023482 FAQULYLVBXORSG-UHFFFAOYSA-N 310.309 1.347 0 40 DDAB CN1CCO[C@H](CNC[C@H](O)c2cc(Cl)ccc2Cl)C1 69661345 HMNRIZLAPGLTNJ-RISCZKNCSA-N 319.232 1.947 0 40 DDAB CCn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6093783 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CN(CCO)C1(CNC(=O)Nc2cccnc2)CCCCC1 72285604 PVNMCJRIIDRMNS-UHFFFAOYSA-N 306.410 1.830 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@@H](c3ccn[nH]3)C2)no1 72270589 VNFPZNMKVRXQPC-GFCCVEGCSA-N 303.366 1.914 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(OC)nn2)no1 72299227 KGATWANJHKWFGE-JTQLQIEISA-N 303.322 1.408 0 40 DDAB CN(CCNS(C)(=O)=O)C(=O)c1cccc(-c2ccoc2)c1 89827333 CCUQATAUQYOHKS-UHFFFAOYSA-N 322.386 1.568 0 40 DDAB Cn1c(=O)c(Cn2nnc(-c3ccccc3)n2)nc2ccccc21 97201060 GDBQRVCNGKCZTQ-UHFFFAOYSA-N 318.340 1.635 0 40 DDAB CCCn1cnc(S(=O)(=O)Nc2nc(C(C)C)nn2C)c1 89960743 QPFMYFQVVRBLLW-UHFFFAOYSA-N 312.399 1.346 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1 95406709 QFIOYSCTHMOHQX-VIFPVBQESA-N 308.407 1.316 0 40 DDAB O=C(NCCC1CCC1)N[C@H]1CCN(C(=O)c2ccncc2)C1 95416836 OTPOSTUSYZPMHV-HNNXBMFYSA-N 316.405 1.786 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1N1CCOCC1 84735647 CDVDLGJRAZOMOS-KFWWJZLASA-N 306.410 1.013 0 40 DDAB CCN(CC)CCSCC(=O)NCCN1CCC(C)CC1 76060987 RRUQQDYNYLIZJF-UHFFFAOYSA-N 315.527 1.910 0 40 DDAB C[C@H]1CN(C(=O)COc2cccc(C(F)(F)F)n2)CCO1 95990918 MEGBKSJQZCSXOP-VIFPVBQESA-N 304.268 1.727 0 40 DDAB COC[C@H](NC(=O)N1CCNC(=O)[C@H]1C)c1ccc(F)cc1 74925157 JGPFDNWHOFIEJR-MFKMUULPSA-N 309.341 1.043 0 40 DDAB Cc1ccc(C)c(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 78788494 VFOFBFKZHSSJHG-MSOLQXFVSA-N 316.445 1.904 0 40 DDAB CCC(=O)N1CC[C@@H](NCc2ccc(C(=O)NC)cc2)[C@H](C)C1 78897546 BKJAXJXVHUKQMD-CZUORRHYSA-N 317.433 1.783 0 40 DDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)NCc2ccnn2C)o1 78879877 GLRMZCWIWLQUQO-CYBMUJFWSA-N 324.406 1.493 0 40 DDAB C[C@@H](C(=O)NCCNS(C)(=O)=O)c1cc2ccccc2o1 79013012 BZEMVJJYYHAMFU-SNVBAGLBSA-N 310.375 1.202 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O 79098778 PTBDSFPSUBHLRG-UONOGXRCSA-N 307.394 1.774 0 40 DDAB Cc1ccc(NC(=O)COC(=O)CCc2nc[nH]n2)cc1Cl 79076417 KVJDJGSJOOYGPN-UHFFFAOYSA-N 322.752 1.881 0 40 DDAB CCOC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 408586368 OCZOCIXWXRCCLA-UHFFFAOYSA-N 314.363 1.704 0 40 DDAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1F 30289973 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40 DDAB COCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159731 CGYLAZRULWPWCM-QGZVFWFLSA-N 320.364 1.423 0 40 DDAB O=c1onc(-c2cnccn2)n1Cc1noc(-c2ccccc2)n1 96409152 COLIOBPLMCIUMA-UHFFFAOYSA-N 322.284 1.392 0 40 DDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)N(C)C)C2 96039572 LQJJNWGUIVIVGB-HOCLYGCPSA-N 313.442 1.117 0 40 DDAB c1ccc(N2CCOC3(CCN([C@@H]4CCOC4)CC3)C2)nc1 96063130 PFYYBVIYEFHOSZ-OAHLLOKOSA-N 303.406 1.542 0 40 DDAB COc1ccc(CN2C(=O)CO[C@@H]3CN(CC4CC4)C[C@H]32)cc1 96081666 HWIJCQSLIOVNGZ-IAGOWNOFSA-N 316.401 1.517 0 40 DDAB COCCN1CCOCC12CCN(C(=O)c1cccnc1)CC2 96226167 HYFLJTRXALFDLL-UHFFFAOYSA-N 319.405 1.035 0 40 DDAB CC(C)[C@H](CNC(=O)c1ccc(O)nn1)N1CCCCCC1 40522800 DLEXNONZZYQGAN-AWEZNQCLSA-N 306.410 1.813 0 40 DDAB CC(C)NC(=O)Cc1cn2c(n1)[C@H](C)N(c1ncccn1)CC2 247987381 JGAFNQIYZHUHCR-LBPRGKRZSA-N 314.393 1.321 0 40 DDAB COc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)c(OC)c1 247002645 BPHLOCUAAYZWOU-ZDUSSCGKSA-N 319.405 1.422 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cn2cccc2c(N(C)C)n1 257242344 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1.665 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCc2ccco2)CC1 69949703 OFHGFOPHUCIHII-OAHLLOKOSA-N 308.422 1.763 0 40 DDAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1cnccn1 12145015 IQSCQKNLUUDWMH-AWEZNQCLSA-N 310.361 1.676 0 40 DDAB CCCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F 3425022 UCZUSCQVPGTDRO-UHFFFAOYSA-N 308.231 1.858 0 40 DDAB Cc1nc2ncnn2c(N2C[C@@H]3CCCC[C@]3(CO)C2)c1C 1888853172 IPCURGKYZLGHPU-XJKSGUPXSA-N 301.394 1.730 0 40 DDAB CCCCC[C@@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 29726519 YUJATBPRUNYLSU-GFCCVEGCSA-N 319.471 1.678 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@H](c2ccco2)N(C)C)cs1 31812157 BRZWRHBTNBYWEN-LLVKDONJSA-N 322.390 1.727 0 40 DDAB CCn1nnc2c1CCN(C(=O)C1(F)CC1)[C@H]2COCC1CC1 1565544553 LGJIVAVYFSDBHZ-ZDUSSCGKSA-N 322.384 1.653 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 3959123 PUBFKRMZYRISMK-JFGNBEQYSA-N 320.242 1.636 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccc(Cl)c1 4474209 UPDCFPUVRJJPBA-KGOITJQVSA-N 316.744 1.792 0 40 DDAB O=C(Cn1ccc2ccccc21)N1CCN(c2ncccn2)CC1 38488818 ZCXGMDCBELWHCR-UHFFFAOYSA-N 321.384 1.780 0 40 DDAB COc1ncc(NS(=O)(=O)Cc2ccc(C)cc2)c(OC)n1 585436912 OUXWQNQMWLEOLU-UHFFFAOYSA-N 323.374 1.744 0 40 DDAB CCc1ccc(S(=O)(=O)Nc2cnc(OC)nc2OC)cc1 585436245 AAPQVUNQOKYKTO-UHFFFAOYSA-N 323.374 1.857 0 40 DDAB COc1cccc(N2CCN(c3cc(C)nc4ccnn34)CC2)n1 2298069827 FQDRSEMJRUKQGB-UHFFFAOYSA-N 324.388 1.768 0 40 DDAB CN(C)c1ccnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298171377 QTIKDNBTVGKHIR-LBPRGKRZSA-N 305.426 1.674 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@@]23C=C[C@H]1O3 100018578 ILPCHWSTHYTTHA-ZAZJYDDPSA-N 305.717 1.711 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OC[C@@H]1CCCO1 40161642 YEWJJMRRVNCEIA-NSHDSACASA-N 302.330 1.578 0 40 DDAB CCOc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1OC 574729 BFPKHDZHVDNYCJ-UHFFFAOYSA-N 322.430 1.967 0 40 DDAB COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c(O)n[nH]c1C 95474586 MZMDROHZLFBVON-GFCCVEGCSA-N 318.329 1.905 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1 78822516 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C[C@H](c1cccnc1)N1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107505571 YENIODIGEGUDNM-MRRJBJDNSA-N 316.405 1.795 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1 56877325 FOCXSXJAUUYOOX-AWEZNQCLSA-N 311.385 1.948 0 40 DDAB CCCNC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 3451806 LMAHTDBJVXYJHZ-UHFFFAOYSA-N 311.334 1.395 0 40 DDAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCNC(=O)C1 26848575 IFCRIVALIPYNDB-VIFPVBQESA-N 306.753 1.883 0 40 DDAB O=C1OC[C@@H]2C(=O)N3Cc4nc5ccccc5cc4[C@H]3OC[C@@H]12 4984336 VIPUNZPBDGWVHE-HWWQOWPSSA-N 310.309 1.395 0 40 DDAB CCn1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)cn1 35781113 XYVLEUHQNCZGHI-UHFFFAOYSA-N 309.347 1.331 0 40 DDAB CCCn1nnnc1NCc1ccc(OC)c(OC)c1OC 7263401 XYKRQBVHWYYVAK-UHFFFAOYSA-N 307.354 1.721 0 40 DDAB COC(=O)C1CCN(C(=O)Cn2cnc3ccccc32)CC1 10008748 HHAPTMZFCAPEDZ-UHFFFAOYSA-N 301.346 1.448 0 40 DDAB COc1c(CN[C@H]2CC(=O)N(c3ccccc3)C2)c(C)nn1C 58421761 KDPCMTQECDHOSH-ZDUSSCGKSA-N 314.389 1.632 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2ccco2)CC1 36382464 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CN1C[C@H](NC(=O)c2ccc3cccc(Cl)c3n2)C[C@H]1CO 65369757 BAXOQJRFJKNSEA-NEPJUHHUSA-N 319.792 1.683 0 40 DDAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cnn1C(C)(C)C 65541617 SLYQFMCYYSJAQG-PWSUYJOCSA-N 306.410 1.673 0 40 DDAB CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccco2)oc1=O 14136996 UUPXTUOBOWSAMQ-UHFFFAOYSA-N 313.313 1.755 0 40 DDAB C[C@@H](NC(=O)Cn1cnc2ncccc2c1=O)c1ccccc1 65608726 LGTIRVRLQXVMPP-GFCCVEGCSA-N 308.341 1.669 0 40 DDAB CCCCn1nnnc1CN1C(=O)NC2(CCC(C)CC2)C1=O 5471636 WQBPPNICAJCDPY-UHFFFAOYSA-N 320.397 1.474 0 40 DDAB COc1ccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1 96412730 XKGXGVWQRLFANB-AWEZNQCLSA-N 318.417 1.926 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 6658456 APPHYBZRXBQTBJ-ZJUUUORDSA-N 304.343 1.618 0 40 DDAB NC(=O)c1ccc[n+](CCOc2cccc(Br)c2)c1 6646405 VBVSCPNKVIZCGV-UHFFFAOYSA-O 322.182 1.915 0 40 DDAB COCCOc1ncccc1CNC(=O)[C@@H](C)n1ccnc1 71823893 UFENTCZZYUWOCP-GFCCVEGCSA-N 304.350 1.181 0 40 DDAB O=C(NCc1cccnc1)N1CCCC[C@@H]1CN1CCOCC1 71893046 ZJCXQVZDDCWXTP-MRXNPFEDSA-N 318.421 1.478 0 40 DDAB C[C@@H](O)CN1CCN(Cc2cccc3c2OCCO3)C[C@H]1C 71864602 FLZTYQUQFCFYGV-ZIAGYGMSSA-N 306.406 1.345 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cnn3cccnc23)c1 71865834 BQTHRKZRSFTRPL-CQSZACIVSA-N 324.388 1.929 0 40 DDAB Cc1cc(N2CCN(C(=O)c3ccoc3C)CC2)nc(C)n1 71819387 DETLSKXPDDHWJR-UHFFFAOYSA-N 300.362 1.957 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)nn(C)c2C)c1 71869724 GDZAPNUOLBBSFX-AWEZNQCLSA-N 301.394 1.847 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@@H](C)C(N)=O 7531855 IVDWVRINWCYPLF-LBPRGKRZSA-N 301.346 1.449 0 40 DDAB CC(C)N(C)S(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 60844771 BXZCURKGLREYAO-CQSZACIVSA-N 316.398 1.784 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1CCn2c(nnc2C2CC2)C1 84098727 UBYVYHYRBOAZAA-VIFPVBQESA-N 318.406 1.455 0 40 DDAB COc1ccc(NC(=O)c2cc(=O)c(OC)co2)c(OC)c1 16850775 LQCPMEIZHUHISV-UHFFFAOYSA-N 305.286 1.918 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cnc(C3CC3)s2)CC1 70015835 VFBJTEXIFCNSTA-LBPRGKRZSA-N 309.435 1.549 0 40 DDAB CCNC(=O)CN(CC)C(=O)NCCCN(C)c1ccccc1 69455562 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C[C@H](Cn1cccn1)NC(=O)NCc1nnc2n1CCCCC2 89904404 XEBGVHKQFOJIPX-GFCCVEGCSA-N 317.397 1.089 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CC[C@@H]3CCCCO3)CCO2)n1 76044827 AQHFHBJKISSLNY-QWHCGFSZSA-N 308.382 1.362 0 40 DDAB COc1ccc(CNC(=O)C(=O)NCCc2ccccn2)cc1 114429694 MLGYKBYOCHEVMK-UHFFFAOYSA-N 313.357 1.065 0 40 DDAB Cn1cc(CNC(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cn1 110661545 UFIVOAFNBCQCEZ-BPUTZDHNSA-N 317.437 1.436 0 40 DDAB COCc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)cc1 547613189 ZLOGZJDWLLJZRE-RYUDHWBXSA-N 311.359 1.141 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1cccs1 36675791 HEKNXYLMLIAMNJ-UHFFFAOYSA-N 321.427 1.729 0 40 DDAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(C3CC3)cc2)CCO1 556702960 HCFVCNKFANHSJS-CYBMUJFWSA-N 311.359 1.038 0 40 DDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccccn1 536949744 WLEJPYXRAKIOGF-RYUDHWBXSA-N 310.350 1.571 0 40 DDAB CC(=O)N1CCC[C@H](c2ccc(C(=O)NCC3CC3)cn2)C1 72368093 HESYNSOUQBQKON-HNNXBMFYSA-N 301.390 1.947 0 40 DDAB O=C(Cn1ncn2nccc2c1=O)OC1CCCCCCC1 79029137 LDDQCFJQJMAJFD-UHFFFAOYSA-N 304.350 1.547 0 40 DDAB O=C(c1ccccc1O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408617942 BLVVSUIQXUBEQH-QBQNWWDVSA-N 309.321 1.586 0 40 DDAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCC(O)CC2)n1 72364940 HQZHOCOAAOOQCT-CQSZACIVSA-N 304.394 1.430 0 40 DDAB CN1CCN(C(=O)[C@@H](c2ccccc2)C2(O)CCCC2)CC1 31689404 KZUQINWUNHPGFL-MRXNPFEDSA-N 302.418 1.849 0 40 DDAB CO[C@](C)(C(=O)N[C@H](C)c1nccc(N)n1)c1ccccc1F 564830187 IUUKMRIGGQHYNN-HWPZZCPQSA-N 318.352 1.937 0 40 DDAB CCCNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217541413 IVHCONMVACIIIQ-UHFFFAOYSA-N 300.380 1.893 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1CCc1cc(-n2ccnc2)ncn1 72364828 SDMMKDDXGJZLGN-ZDUSSCGKSA-N 321.406 1.019 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 72324771 COHAKBKQYHEPDX-CYZMBNFOSA-N 324.808 1.708 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)NC3CC3)cc2)[C@H]1C(=O)O 71285431 JRCJVBNVDJJRAY-OLZOCXBDSA-N 316.357 1.874 0 40 DDAB CC(=O)N1CCC(NC(=O)CCc2nc(C(C)(C)C)no2)CC1 32923075 SVHKLSCQMYRMJK-UHFFFAOYSA-N 322.409 1.427 0 40 DDAB O=C(COc1ccccc1F)N1CCNC[C@@H]1c1ccncc1 562963857 NEPGNQFIRQOGJZ-OAHLLOKOSA-N 315.348 1.773 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC[C@@H](O)c1ccco1 77111564 HLVJIGGMOWNUKD-SNVBAGLBSA-N 300.336 1.286 0 40 DDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cc1cccs1)C2 564057012 ZZCKWQJEOSVTSK-LBPRGKRZSA-N 319.430 1.462 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](C(N)=S)[C@@H]1c1ccc2c(c1)OCO2 218151244 XGPBHCZJTVKDJQ-TUAOUCFPSA-N 313.400 1.218 0 40 DDAB CCn1cc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)cn1 40776525 QOBYWQZDRWMENM-HNNXBMFYSA-N 300.318 1.631 0 40 DDAB CN(C)CCn1c(=O)nc(N)c2c3c(sc21)CCCCC3 40284246 KBQVIBHXBXMHKD-UHFFFAOYSA-N 306.435 1.871 0 40 DDAB CCSc1ncc(Cl)c(C(=O)NCCCC(=O)O)n1 41097692 WMXUDWVLWOFPGI-UHFFFAOYSA-N 303.771 1.837 0 40 DDAB CCN(CC(C)C)C(=O)CCn1nc(O)c2ccccc2c1=O 45506160 DCDHEMRSPRKBQV-UHFFFAOYSA-N 317.389 1.997 0 40 DDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(C)c(F)c1 47911694 SYKPLBIJJFRUCB-UHFFFAOYSA-N 303.355 1.708 0 40 DDAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N[C@H](CO)Cc1ccc(O)cc1 195571897 ZPJVDEPDERDOLN-CTASWTNQSA-N 320.433 1.673 0 40 DDAB CC1(C)CN(C(=O)c2cc3ccccc3oc2=O)CC[S@]1=O 88205527 LEKWITWYQYYZAH-QFIPXVFZSA-N 319.382 1.776 0 40 DDAB CNS(=O)(=O)CCC[S@@](=O)Cc1ccc(F)cc1C 195579445 KNBLSVMLQNLKJF-GOSISDBHSA-N 307.412 1.322 0 40 DDAB Cc1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1 82315175 MFTIBXSVTMGBKN-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB CN(C)S(=O)(=O)Nc1ccc(Cn2ccccc2=O)cc1 96426084 JIBAVAFENIVPNL-UHFFFAOYSA-N 307.375 1.115 0 40 DDAB Cn1cc(C(=O)NC2CCN(C(=O)C3=CCCCC3)CC2)cn1 195572303 ZDEJGDZOCXSQBK-UHFFFAOYSA-N 316.405 1.641 0 40 DDAB CN(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)CC2 96196807 HPNPLNYMZHDRSC-UHFFFAOYSA-N 318.446 1.634 0 40 DDAB Fc1cnc(N2CCCn3c(nnc3Cn3cccc3)C2)nc1 96259643 YMJSNQHIVWCQKS-UHFFFAOYSA-N 313.340 1.467 0 40 DDAB COc1nn(C)c2c1CCCN(C(=O)c1cccc(C)n1)C2 96254448 LYHNPWVALRDKPQ-UHFFFAOYSA-N 300.362 1.721 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@H]2O1 96042751 IKZYUDUNQJGVDQ-GVDBMIGSSA-N 318.417 1.429 0 40 DDAB CC[C@H](CNS(=O)(=O)N(C)C)Oc1ccccc1Cl 96452764 VAYGLOPSJMRRPI-SNVBAGLBSA-N 306.815 1.893 0 40 DDAB CCc1ccc(S(=O)(=O)NCc2nnc3ccccn23)s1 96461858 JPXSRDUOYRPTJB-UHFFFAOYSA-N 322.415 1.832 0 40 DDAB CCCS(=O)(=O)CC(=O)N[C@](C)(CC)c1nccs1 96416593 BYINSHUGXBOITP-GFCCVEGCSA-N 304.437 1.709 0 40 DDAB O=C1CCCN1CCN(C[C@H](O)c1ccc(F)cc1)C1CC1 96424445 XGIKRDRSXUBYLH-INIZCTEOSA-N 306.381 1.946 0 40 DDAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N(C)C 96193183 JHJOHRONYALTJQ-UHFFFAOYSA-N 314.407 1.149 0 40 DDAB CC(C)Oc1ncnc2c1CCN(C(=O)N1CCCC1)CC2 96255658 FUUGNPYPJBSPQN-UHFFFAOYSA-N 304.394 1.880 0 40 DDAB CCc1nc(CNc2ccc(F)cc2CS(C)(=O)=O)no1 95414076 NATUEOLDFNNMRO-UHFFFAOYSA-N 313.354 1.928 0 40 DDAB COCC(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504277 WYIKMKFMZGUSGJ-UHFFFAOYSA-N 315.373 1.774 0 40 DDAB Cc1cncnc1N1CCN(S(=O)(=O)c2cccs2)CC1 96024478 UIVBRZJFPJHBBT-UHFFFAOYSA-N 324.431 1.357 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNc2ncccc2F)cc1 96460520 WXQDJANIBWGROU-UHFFFAOYSA-N 309.366 1.920 0 40 DDAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccccn1 97102265 AGXRRTGCLQKGPC-UHFFFAOYSA-N 304.313 1.421 0 40 DDAB CCOC(=O)C1(O)CCN(c2ncccc2C(F)(F)F)CC1 96444371 MEFBJBKWMXFMNZ-UHFFFAOYSA-N 318.295 1.995 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccon3)CCO2)c1 257210665 BVQGAEIZLCBVKF-AWEZNQCLSA-N 302.334 1.633 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)c2ccc(OC)nc2)n1 257229223 FXGMPGDZUZZZQH-CYBMUJFWSA-N 313.361 1.899 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](n2cccn2)C1 69431901 GWMWUJVWPGWDJR-BBRMVZONSA-N 313.357 1.887 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NC[C@H](O)CN2CCC(C)CC2)c1 69464820 CIVVDJLPHPVMGK-ZACQAIPSSA-N 308.470 1.823 0 40 DDAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc1 257320973 VZONMQRNIUXCIU-INIZCTEOSA-N 313.405 1.854 0 40 DDAB COCCNc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 69415258 WQDSKSMHYRPMFP-UHFFFAOYSA-N 313.404 1.516 0 40 DDAB OC1(CN2CCC(c3n[nH]c4nccnc34)CC2)CCOCC1 257202476 AMABGJOLIJCKHF-UHFFFAOYSA-N 317.393 1.074 0 40 DDAB Cc1ccccc1C1(CNC(=O)N[C@@H]2CCCCNC2=O)CC1 69595872 UGOANBHSFVNRJB-OAHLLOKOSA-N 315.417 1.995 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2ccnc(-c3cc[nH]n3)c2)C1 257295737 QZQMMOGSNCWULN-GFCCVEGCSA-N 306.391 1.611 0 40 DDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 257284814 PEKUFJWCILMTOL-CQSZACIVSA-N 315.377 1.349 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccncc2)CC1 257255013 KFSZJHHVXGZGJL-KRWDZBQOSA-N 315.417 1.874 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCC(=O)NC1CCCC1 69701525 GIWIWBLILXJRFJ-DLBZAZTESA-N 321.465 1.911 0 40 DDAB COC(=O)[C@H]1CCc2nnc(CCOc3ccccc3)n2C1 601044816 REIYFLAOGQWUOH-LBPRGKRZSA-N 301.346 1.635 0 40 DDAB O=c1cc2c(nn1CC1CCN([C@@H]3CC[C@H]3O)CC1)CCCC2 585500661 NSIJVNIPDUHZMF-IAGOWNOFSA-N 317.433 1.357 0 40 DDAB O=C(C1CCNCC1)N1CC[C@](O)(COc2ccccc2)C1 585268997 GWYQTUCJJADOSR-QGZVFWFLSA-N 304.390 1.028 0 40 DDAB FC(F)(F)COc1ccc(Cn2cnc3nccnc32)nn1 585124164 HUUDXJBEWCRZHD-UHFFFAOYSA-N 310.239 1.606 0 40 DDAB C=CC(=O)N1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 585292637 PYDCVUQTOPWOIF-NSHDSACASA-N 315.402 2.569 0 40 DDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCC2CCCCC2)[C@H]2CO[C@@H]1O2 952844849 NPYGOFCEVYXHRG-OVYGPGRDSA-N 321.421 1.387 0 40 DDAB biogenic,in-vitro NC(=O)C1(CNC(=O)CCCOc2ccccc2)CCOCC1 47931175 AXBQYZCNHZYPMI-UHFFFAOYSA-N 320.389 1.244 0 40 DDAB NC(=O)[C@H]1CCN(c2ncnc3c(Br)cccc23)C1 52394059 FTWYAZBMQCDQJX-QMMMGPOBSA-N 321.178 1.704 0 40 DDAB CCO[C@@H](C)c1nc(Cn2cc(C(=O)NC)ccc2=O)cs1 76697535 BAXOLBDTRYVXIH-JTQLQIEISA-N 321.402 1.810 0 40 DDAB Cc1cc(-c2nnn(CC(=O)N3CCCCC3)n2)ccc1F 58298186 XQYAWNNBYNLRPL-UHFFFAOYSA-N 303.341 1.800 0 40 DDAB CN(C[C@H]1CCCO1)C(=O)Cc1ccc(N2CCCC2=O)cc1 83859146 PGGLHVGHPNASCT-MRXNPFEDSA-N 316.401 1.993 0 40 DDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccnc3)ccc21 11615509 XRLWMVOYLPHOAP-UHFFFAOYSA-N 318.358 1.073 0 40 DDAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc2nsnc2c1 253407721 WRUFXTKSKLEHML-SWHYSGLUSA-N 319.386 1.758 0 40 DDAB COc1nn(C)cc1C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390827188 FLZTXONYJOEGNR-GFCCVEGCSA-N 319.365 1.447 0 40 DDAB O=C([C@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCCC1 1889108480 SBFPEFPRSLDYPH-CQSZACIVSA-N 321.446 1.844 0 40 DDAB Cc1cc(CNC(=O)COc2ccccc2C(N)=O)ccc1F 21549834 XYLCPHKBUNFDAP-UHFFFAOYSA-N 316.332 1.928 0 40 DDAB O=S1(=O)N=C(NCc2cn3ccccc3n2)c2ccccc21 22393096 OSPOGERPWWFQCS-UHFFFAOYSA-N 312.354 1.573 0 40 DDAB Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)on1 23956267 JDMBEJVIWYDBGY-UHFFFAOYSA-N 315.373 1.745 0 40 DDAB COCCn1nc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1=O 25704731 WSIAOEHFZQSLPE-UHFFFAOYSA-N 315.329 1.345 0 40 DDAB CN1C[C@@]2(CCN(C(=O)c3ccccc3F)C2)COCC1=O 2037985089 XPKRCYYLCIMWBQ-MRXNPFEDSA-N 306.337 1.147 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@@H](NC3CCC3)CS2)C1 2056223443 LQEQZRVVLDWBGV-CYBMUJFWSA-N 304.419 1.319 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)Nc3cccs3)C2)nn1 1565520123 GMYFNUCYFJRBTQ-NSHDSACASA-N 307.379 1.965 0 40 DDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ocnc2C)c1 4077602 RDIRDMBUQVFGGQ-UHFFFAOYSA-N 318.285 1.809 0 40 DDAB O=C(Nc1nc(CC(=O)N2CCOCC2)cs1)c1ccco1 9814167 UDZVGEMBWKIMOI-UHFFFAOYSA-N 321.358 1.390 0 40 DDAB Cc1nn(CC(=O)NC(C)(C)C)c(=O)c2c1cnn2C(C)(C)C 36665686 ZKWOVYCQBKFNIS-UHFFFAOYSA-N 319.409 1.571 0 40 DDAB CC(C)(C)OC(=O)N1CCN(CCc2nnc(S)o2)CC1 225389944 CRWJAMUFYFQBDD-UHFFFAOYSA-N 314.411 1.454 0 40 DDAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4N)nc32)cc1 584905916 KWBBQZBZXHUABJ-UHFFFAOYSA-N 321.344 1.906 0 40 DDAB c1cnc(OC[C@H]2CCCN(c3nccn4nccc34)C2)cn1 2298212806 XPOBQLADHMHCFX-ZDUSSCGKSA-N 310.361 1.815 0 40 DDAB CC(C)(C)C(=O)N[C@@H]1CCCN(CC(=O)NC2CCCC2)C1 358375394 QFUMAXDVAZWKQL-CQSZACIVSA-N 309.454 1.672 0 40 DDAB O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1Cl 85471691 NVVGSODOAIUVNN-LBPRGKRZSA-N 308.721 1.721 0 40 DDAB Nc1nc(N)nc(COC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 50017737 DXUASHWZAVDYLY-VHSXEESVSA-N 319.752 1.536 0 40 DDAB CC(C)OCCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 32669697 VLPGUOFQZWTTLB-UHFFFAOYSA-N 323.784 1.861 0 40 DDAB CCOC(=O)c1cnn2c(C(=O)OCC)c(CCCO)cnc12 32628421 TUNBMZIXIUOVOF-UHFFFAOYSA-N 321.333 1.008 0 40 DDAB in-vitro O=C(NCCC(=O)N1CCCC1)c1cc2ccccc2oc1=O 32716719 QBZKNDDBRSYDSJ-UHFFFAOYSA-N 314.341 1.535 0 40 DDAB COc1ccnc(NCc2cccc(CN3CCOCC3)c2)n1 52429151 NYCXZJDEMUMNIM-UHFFFAOYSA-N 314.389 1.930 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)o1 32913949 LAQYJZZQXXGJPA-JTQLQIEISA-N 308.359 1.679 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NC3CCCC3)nnc2n1 804325 OKCVBVHJCXQJDA-UHFFFAOYSA-N 305.407 1.892 0 40 DDAB COC(=O)NCC(=O)/N=c1/sccn1Cc1ccccc1 104225686 HQDNRDUCBPTQPS-DTQAZKPQSA-N 305.359 1.381 0 40 DDAB CC(C)(C)NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 23697481 NILMHEMXXYLGCU-CQSZACIVSA-N 324.446 1.595 0 40 DDAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)N2CCNC2=O)c1 24359234 GNUNKTCKVXNPIA-UHFFFAOYSA-N 318.377 1.635 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](C)CO1 106049413 QFPWWYZXBGVEJW-QWRGUYRKSA-N 324.402 1.369 0 40 DDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c1 787147 SBHWJSVCPOTKLT-GFCCVEGCSA-N 306.362 1.374 0 40 DDAB CCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21 1307752 ICKRKULKZOPPAW-UHFFFAOYSA-N 310.313 1.769 0 40 DDAB COc1ccc(C(=O)NCc2ccccc2Cn2ccnc2)nn1 78051651 DTYFGIQVXOLREU-UHFFFAOYSA-N 323.356 1.660 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCn2c(nc(C)c2C)C1 97201262 UBWSJPQWBZUICG-UHFFFAOYSA-N 316.409 1.305 0 40 DDAB Nc1c(NCc2ccco2)c(=O)[nH]c(=O)n1Cc1ccccc1 3269777 PVLNMWFUDYUUMA-UHFFFAOYSA-N 312.329 1.372 0 40 DDAB Cc1ccc(-n2nnc(C(=O)N3CCCCC3)c2N)cc1F 4984815 ORAHKKVWBQTCKU-UHFFFAOYSA-N 303.341 1.923 0 40 DDAB CCN(CC)C(=O)COC(=O)c1cncc(Br)c1 57487355 XXMKZJASVLJIDX-UHFFFAOYSA-N 315.167 1.869 0 40 DDAB CCCOC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 1892780 ZNZIJBLUDWDPKK-UHFFFAOYSA-N 307.375 1.685 0 40 DDAB Cc1nc(NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C)sc1C 26906925 GAAZDSVMDWUBEK-SNVBAGLBSA-N 312.439 1.543 0 40 DDAB O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccncc1 72404930 FUIFZSCZAWHFLJ-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB CCn1nnc2cc(C(=O)NCCCCn3ccnc3)ccc21 58200942 GHUNGSPGFKFBAZ-UHFFFAOYSA-N 312.377 1.858 0 40 DDAB O[C@@H](CNC[C@H]1CNc2ccnn2C1)COc1cccc(F)c1 58309870 UGKKMBSRVPEZFN-JSGCOSHPSA-N 320.368 1.093 0 40 DDAB CCC(C)(C)NC(=O)CN1CCN(Cc2cscn2)CC1 58392455 YQSTZGHVDOZDIV-UHFFFAOYSA-N 310.467 1.566 0 40 DDAB Cc1cc(CN(C)C(=O)CNC(=O)/C=C/c2cccnc2)no1 58355508 PFLAOIRUETXZBK-AATRIKPKSA-N 314.345 1.166 0 40 DDAB COC(=O)[C@@H](C)CN(CC(=O)NCC1CC1)Cc1ccccc1 58393093 OCRWWBBOQABDPZ-AWEZNQCLSA-N 318.417 1.824 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)NCc1ncc(Cl)n1C 58316811 FKQKOQKMFQTKEG-SECBINFHSA-N 306.819 1.282 0 40 DDAB CN1C[C@@H]2C[C@H](NC(=O)c3n[nH]c4ccccc34)C[C@H](C1)N2C 100102461 MHNNVDILNTUWNS-XYYAHUGASA-N 313.405 1.070 0 40 DDAB in-man Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)c1ccccc1F 58405211 ZFHJKOBCGLLMNO-OAHLLOKOSA-N 306.385 1.757 0 40 DDAB CC[C@H](CNC(=O)[C@@H](C)N1CCN(C)CC1)Oc1ccccc1 95395563 BYMBEZSGEUAPFE-HZPDHXFCSA-N 319.449 1.596 0 40 DDAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(CC(F)(F)F)C1 28869103 UVYGUWZSMOBHNM-ZETCQYMHSA-N 303.240 1.137 0 40 DDAB NS(=O)(=O)c1cnc(NCc2cc3ccccc3[nH]2)s1 95938942 GVHCIVUGBUYDDE-UHFFFAOYSA-N 308.388 1.884 0 40 DDAB Cc1n[nH]c(SCC(=O)N(CCC(N)=O)c2ccccc2)n1 11708777 RNWSJTMGMSOMCQ-UHFFFAOYSA-N 319.390 1.114 0 40 DDAB Cc1noc(C)c1Cn1nc(C)c(S(=O)(=O)N(C)C)c1C 95956811 NRIWRQCEDCZVQY-UHFFFAOYSA-N 312.395 1.403 0 40 DDAB CC(=O)N1CCC(NC(=O)N(C)OCc2ccccc2)CC1 95467186 BHBDHUJJFWSONJ-UHFFFAOYSA-N 305.378 1.771 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 61721799 HPMSOGMTZQIJAR-VXGBXAGGSA-N 315.333 1.266 0 40 DDAB O=C(NN1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 3335462 WKVJWOWTLHZLSC-UHFFFAOYSA-N 310.353 1.895 0 40 DDAB CNC(=O)NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 95985996 XSOWQDBZTGNAJE-LBPRGKRZSA-N 304.394 1.393 0 40 DDAB Cc1nc(NC(=O)N2CCC[C@H](CN3CCCC3)C2)nn1C 48428367 ZSBDLVNCYZBJLS-CYBMUJFWSA-N 306.414 1.463 0 40 DDAB O=C1CN(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)CCN1 95414422 URPHOHREDSAFRP-KSSFIOAISA-N 313.401 1.422 0 40 DDAB C[C@H](CCNC(=O)NCc1cccc(N(C)C)n1)[S@](C)=O 95437725 KRPMCCQUZAHTBO-WSVYEEACSA-N 312.439 1.104 0 40 DDAB CC[C@](C)(CC(=O)O)NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 95424870 BOIMZQNIKGLEAV-MGPLVRAMSA-N 309.410 1.975 0 40 DDAB C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1CCCOC1 95423148 MYLWTCFZEUWZEJ-DLBZAZTESA-N 303.450 1.966 0 40 DDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 13181257 PVQODHJUISESRN-LLVKDONJSA-N 302.330 1.796 0 40 DDAB COc1ccccc1-n1c(=O)[nH]c(O)c(Cc2ccccc2)c1=O 9320339 HYXUMVKWPHTQPL-UHFFFAOYSA-N 324.336 1.831 0 40 DDAB O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccccc1F 63217829 OVBYGFXNEFOZBO-CYBMUJFWSA-N 309.362 1.708 0 40 DDAB CCOC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)COC)cc1 9313643 AQMQYLBMBZABBU-JSGCOSHPSA-N 311.378 1.228 0 40 DDAB Cc1nn(C)cc1CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 9302604 UVNOVKXLFXSHKS-UHFFFAOYSA-N 311.345 1.465 0 40 DDAB CCN(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)c1ccccc1 13691434 HBCQZQZQQOYXCR-ZDUSSCGKSA-N 322.361 1.717 0 40 DDAB CC(C)C[C@](C)(CN)NS(=O)(=O)c1cn(C)c(Cl)n1 95432104 OOJDVEWSARYIJZ-LLVKDONJSA-N 308.835 1.115 0 40 DDAB COCCNC(=O)c1cc(=O)c(OCc2ccccc2F)co1 96223521 MFLASDONAYSZBZ-UHFFFAOYSA-N 321.304 1.734 0 40 DDAB CC(C)Cn1cncc1CNC(=O)c1cnn2ccn(C)c12 65408036 WYBQGXZNLNQNMN-UHFFFAOYSA-N 300.366 1.455 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCc2c(O)cccc21 65522627 CMYVXCIBKFIQPI-MRXNPFEDSA-N 324.380 1.855 0 40 DDAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC1 14187415 MLMPNOMTLXZRAO-NKSUMMKUSA-N 322.430 1.880 0 40 DDAB CC(C)N(CC(N)=O)S(=O)(=O)c1ccc2ccccc2c1 14163732 PIZABCMZOONTRZ-UHFFFAOYSA-N 306.387 1.724 0 40 DDAB Cc1ccc(NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1C 6590141 GSFHERFCTNHEFU-UHFFFAOYSA-N 323.356 1.685 0 40 DDAB CCOC(=O)C1=C(CSc2ncccn2)NC(=O)N[C@H]1CC 6913363 YRHPUDMVNMFALY-VIFPVBQESA-N 322.390 1.477 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2nccnc2N)n1 71872066 SXKBMGDQUSROLI-GFCCVEGCSA-N 300.366 1.177 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2ccccc2c(=O)[nH]1 71830204 HXMIYOSXRFEONR-JQWIXIFHSA-N 313.357 1.254 0 40 DDAB O=C1C[C@@H](N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1 7213618 XXLGELKARXGWSI-CYBMUJFWSA-N 308.765 1.300 0 40 DDAB Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCCC1 15669305 DCZMIIHQTBBGKT-UHFFFAOYSA-N 319.386 1.530 0 40 DDAB CN(C[C@@H]1CCCO1)C(=O)c1ccc(OCC(F)F)nc1 90511999 SKDCHRGQLXHZSA-NSHDSACASA-N 300.305 1.977 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](NC(C)=O)C(C)C)c1 7976927 OOIDNVTXCDGIKS-AWEZNQCLSA-N 306.362 1.881 0 40 DDAB CCc1nnc2n1CCN(C(=O)CCc1nc3ccccc3[nH]1)C2 69452835 MRBIQULMZZKZOR-UHFFFAOYSA-N 324.388 1.692 0 40 DDAB COC[C@H](C)NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 8488877 SLXXQWATQKMXOC-VIFPVBQESA-N 324.381 1.854 0 40 DDAB CC(C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 17301264 KFXSHTVROUDTSO-UHFFFAOYSA-N 301.346 1.461 0 40 DDAB CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](O)C2)CC1 69770649 GSNZQJRZFTYPOB-CQSZACIVSA-N 318.421 1.427 0 40 DDAB CN1CC(=O)N(CCCC(=O)N(C)c2ccccc2F)C1=O 69876340 PDKFDELRPHKPGA-UHFFFAOYSA-N 307.325 1.463 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 69982903 DMJAPDBQTIZHTA-OAHLLOKOSA-N 302.422 1.811 0 40 DDAB CCNC(=O)c1ccc(NC(=O)N[C@H](C)CC(N)=O)c(C)c1 72295169 SUJJHFIVNJHSIQ-SNVBAGLBSA-N 306.366 1.130 0 40 DDAB CCCCN(CCO)CC(=O)NC[C@H]1COc2ccccc2O1 70947614 WGIOVSNJWPITQQ-AWEZNQCLSA-N 322.405 1.037 0 40 DDAB CCN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 19371719 LLYNFLPQYFSAKG-INIZCTEOSA-N 312.841 1.855 0 40 DDAB COCc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 72234733 DYAFILPUPRNMCR-HNNXBMFYSA-N 300.362 1.902 0 40 DDAB O=C(Nc1ccncc1)N[C@@H]1CS(=O)(=O)c2ccccc21 72289126 LOTGMFUDAVAHHI-GFCCVEGCSA-N 303.343 1.732 0 40 DDAB C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)CC(=O)O 97045148 AHYIEUGLLHPPJZ-GFCCVEGCSA-N 301.346 1.772 0 40 DDAB CN(Cc1ccc(OC(F)F)cc1)c1ccc2nnnn2n1 9113965 IOAMTUXXIKTFPQ-UHFFFAOYSA-N 306.276 1.757 0 40 DDAB CCc1nc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cs1 97058207 SAGFFZFAJKPUGP-JTQLQIEISA-N 322.434 1.516 0 40 DDAB Cc1nc2nccc(C(=O)NCCc3cc(F)cc(F)c3)n2n1 96011900 HMKOYEYOLJMXLJ-UHFFFAOYSA-N 317.299 1.683 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)CCOc1ccccc1Cl 88374353 DAOYQNCCSFYPEI-NSHDSACASA-N 313.737 1.421 0 40 DDAB COc1ccc(OC[C@H](O)CN2CCn3ccnc3C2)cc1 97201231 QFVZZLIIBADKRM-CYBMUJFWSA-N 303.362 1.147 0 40 DDAB CN(C)S(=O)(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 89662221 ISCKVGDQFLNTPJ-LLVKDONJSA-N 321.443 1.172 0 40 DDAB CN(Cc1ncnn1C)c1ccc(S(=O)(=O)C(C)(C)C)nc1 89694353 ZDHBBJTZVAOQTD-UHFFFAOYSA-N 323.422 1.419 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1oc(C)nc1C)CC2 89986400 ZCKVRCBVUVKENF-CHWSQXEVSA-N 308.378 1.684 0 40 DDAB O=C(N[C@@H]1CCSC1)N1CCC[C@@H](CN2CCOCC2)C1 75802451 RVLLINJLZWHCRF-UONOGXRCSA-N 313.467 1.246 0 40 DDAB CCCN(CCN(C)C)C(=O)NCc1ccc2c(c1)OCO2 63975415 JZHBIRRQMZIOSG-UHFFFAOYSA-N 307.394 1.899 0 40 DDAB O=C(COc1ccccc1)Nc1cnc(N2CCOCC2)nc1 65225030 IZBCFFBFUOPINO-UHFFFAOYSA-N 314.345 1.331 0 40 DDAB O=C(c1cc2ccccc2nc1O)N1CCN(c2ncc[nH]2)CC1 548061485 FBAJEOZMEFPYIW-UHFFFAOYSA-N 323.356 1.626 0 40 DDAB O=C1NC(=O)[C@H]2[C@@H]1[C@@H](c1ccc(O)cc1)NN2Cc1ccccc1 170620955 GOIXBCZMIORAHK-ARFHVFGLSA-N 323.352 1.095 0 40 DDAB COC(=O)[C@@H](CC1OCCO1)NC(=O)C=C(C1CC1)C1CC1 1558047510 VNXXUXMQXOSVDE-CYBMUJFWSA-N 309.362 1.154 0 40 DDAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H]1CCCCN1 1505840706 SMXVWNBSFOVCIU-JKSUJKDBSA-N 323.481 1.966 0 40 DDAB C[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccncc1 122433060 CLFZTNGFUUGAAC-ZDUSSCGKSA-N 316.405 1.797 0 40 DDAB Cc1cc(C)n2nc(S[C@H](C)c3nccc(N)n3)nc2n1 521394539 QUTVXPYYFGZTCM-SECBINFHSA-N 301.379 1.967 0 40 DDAB C[C@@H](c1cnn(C)c1)N(C)C(=O)C(=O)Nc1c(F)cccc1F 129844622 PLWGBBUYIOSAAG-VIFPVBQESA-N 322.315 1.856 0 40 DDAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)cc(N2CCCC2)n1 72364666 UQUAMXJNJYPWEM-ZDUSSCGKSA-N 324.450 1.524 0 40 DDAB O=C(c1ccc2nnnn2c1)N1CCn2c(cc3ccccc32)C1 568344557 CPDXIVDHSZHDLF-UHFFFAOYSA-N 318.340 1.735 0 40 DDAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@]21C(=O)Nc2ccccc21 71280739 CLPILYOPJNCHMC-MRXNPFEDSA-N 312.329 1.987 0 40 DDAB C[C@@H](CC1CCCC1)C(=O)NCCN1CCS(=O)(=O)CC1 72569411 LSEBFIYJJVNNFN-ZDUSSCGKSA-N 316.467 1.049 0 40 DDAB O=C(/C=C/c1cncc(F)c1)NCCCOC[C@H]1CCCO1 79050070 BGQBWUJYFAPCPQ-MBVDDHJVSA-N 308.353 1.936 0 40 DDAB S=C(NCc1ccco1)N1CCN(Cc2ccccn2)CC1 225225993 IPINJEIAHOCOEL-UHFFFAOYSA-N 316.430 1.867 0 40 DDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NCc1cccnc1 223314771 XUPBHUYBMGSOCB-UHFFFAOYSA-N 319.342 1.303 0 40 DDAB O=S(=O)(NC[C@H]1Cc2ccccc2CO1)c1cccnc1 225786860 NOVUEDJUVUGZPT-CQSZACIVSA-N 304.371 1.501 0 40 DDAB COc1cc(OC)cc(C(=O)NCc2ccnc(N(C)C)n2)c1 224235297 YEUJFZCHJYVCHB-UHFFFAOYSA-N 316.361 1.490 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N(C)Cc2ccco2)c1 69656173 RAWZIRNSUYGNDJ-ZIAGYGMSSA-N 304.394 1.982 0 40 DDAB O=C(NCCOc1ccc(F)c(F)c1)NC[C@@H]1CCCO1 69773251 MBGMTDSHQKCKDV-NSHDSACASA-N 300.305 1.822 0 40 DDAB COCCN1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 69810326 AQCAUQLMGOHKSI-OAHLLOKOSA-N 311.470 1.430 0 40 DDAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859709 XMNXMXSOWKTVHA-SNVBAGLBSA-N 322.386 1.523 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C 339696641 MMDWTSCELFCTDB-OAHLLOKOSA-N 303.406 1.212 0 40 DDAB Cn1cccc1C(=O)N1CCc2c(CN3CCCC3)n[nH]c2C1 96255860 DCQWCGSHYGCCRO-UHFFFAOYSA-N 313.405 1.543 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N[C@@H](C)CCSC)c1C 96428098 GTGPRIWPYBWNHV-VIFPVBQESA-N 305.469 1.940 0 40 DDAB CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]21 96066325 UPIUMDCPUWYVMO-OWCLPIDISA-N 320.437 1.172 0 40 DDAB CC(C)NC(=O)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249765 KMZLGELJDBIDBX-ZIAGYGMSSA-N 319.409 1.122 0 40 DDAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1conc1C)C2 96229852 ZFAIVSLMAKCNKV-INIZCTEOSA-N 305.378 1.990 0 40 DDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@@H]3C2)s1 96042714 IXDBWWYXBAKDBM-YNEHKIRRSA-N 322.434 1.453 0 40 DDAB Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)n1 96502835 VOILYSWXWSQDKF-UHFFFAOYSA-N 318.402 1.968 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)c1ccc(F)cc1 96296110 ASUUBSCRTBMXIY-OAGGEKHMSA-N 322.380 1.216 0 40 DDAB biogenic,in-vitro O=C1CC[C@@H](C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)N1 96414602 KQTIYWFNZPICFU-JSGCOSHPSA-N 318.348 1.526 0 40 DDAB Cc1ccc(N[C@H]2CO[C@@]3(CCN(C4CCOCC4)C3)C2)nn1 96219551 QUNFUNSTOBURHE-PBHICJAKSA-N 318.421 1.609 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccccc1F 96345593 OHTDMTJNJJRMEG-UHFFFAOYSA-N 301.321 1.900 0 40 DDAB CC[C@H]1c2ccsc2CCN1C(=O)Cn1ncn(C)c1=O 96490164 UJSUZGDOZALMGR-NSHDSACASA-N 306.391 1.179 0 40 DDAB C[C@]1(O)CN(C(=O)c2ccon2)CC[C@@H]1Oc1cccc(F)c1 257273490 NGUIOAXDCPPFFM-HOCLYGCPSA-N 320.320 1.858 0 40 DDAB CN1CCN(C(=O)c2cncc(C[C@H]3CCCN(C)C3)c2)CC1 257255672 KIKPFGKKNZGHPZ-OAHLLOKOSA-N 316.449 1.354 0 40 DDAB CC(=O)N1CCN(Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 257324146 WNJNQFKDEWZHHD-CYBMUJFWSA-N 309.797 1.106 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2ncccc2F)n1 257280749 OMFIHDVIBCDELU-AWEZNQCLSA-N 304.325 1.598 0 40 DDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2ncc[nH]2)n1 257208346 BLTVSUOJLQUBGI-INIZCTEOSA-N 314.393 1.379 0 40 DDAB NC(=O)c1cc(C[C@H]2CCCN(Cc3cscn3)C2)ncn1 257213153 CGJACGBDQWUFBJ-LLVKDONJSA-N 317.418 1.487 0 40 DDAB O=C(CCCn1ccnc1)N1CCO[C@H](c2cnccn2)C1 257208720 BNJNBOCGZKTQQK-AWEZNQCLSA-N 301.350 1.053 0 40 DDAB CCCC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 575402793 CEKIRCDBXRREQH-AWEZNQCLSA-N 307.394 1.104 0 40 DDAB COC(=O)COc1ccc(C(=O)N2CCOC[C@H]2C)cc1OC 44492566 VXIHJJKAXWHDNS-LLVKDONJSA-N 323.345 1.108 0 40 DDAB CN(Cc1ccc(F)c(F)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 52827323 WKXVRAZTWGERGX-UHFFFAOYSA-N 319.315 1.567 0 40 DDAB Cc1cccnc1CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 78941856 FVVIBVFWUXGJAV-OUCADQQQSA-N 302.378 1.199 0 40 DDAB C[C@H]1CN(CCCNC(=O)NCc2cccc(O)c2)C[C@H](C)O1 79727961 XUZIZSCPYLOYNF-KBPBESRZSA-N 321.421 1.691 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c1 85436596 JAPQIEVYYNEIML-QGZVFWFLSA-N 302.418 1.832 0 40 DDAB Cc1cc2n(n1)C1(CCN(C(=O)NC(C)C)CC1)CC(=O)N2C 1772596172 NDFGPAYSGPLCFI-UHFFFAOYSA-N 319.409 1.467 0 40 DDAB Cc1cnc(C(=O)OCc2nc3ccsc3c(=O)[nH]2)cn1 5171681 CWUZYVHJYBDPGJ-UHFFFAOYSA-N 302.315 1.440 0 40 DDAB CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1N=CC=C[C@H]21 5455909 ZCTIBFPHOJLONR-TUVASFSCSA-N 323.352 1.099 0 40 DDAB CC(C)C[C@H](NC(=O)CNC(=O)NC1CCCCC1)C(=O)O 5632995 SDFRLWBEPRJZAO-LBPRGKRZSA-N 313.398 1.234 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)OCc1ccc(C(N)=O)cc1 11722236 VVLPQYOEYJAYIH-UHFFFAOYSA-N 301.346 1.422 0 40 DDAB CCOCc1nnc(NC(=O)c2cnc(SC)nc2)s1 12202261 TXFLPVDAFLTSDJ-UHFFFAOYSA-N 311.392 1.839 0 40 DDAB CC(=O)N1C[C@H](C(=O)Nc2ccn(C)n2)Oc2ccccc21 14899616 PHNCRKYGAYKFPS-CYBMUJFWSA-N 300.318 1.173 0 40 DDAB Nc1nc(N2CCCC2)ncc1S(=O)(=O)c1cccs1 15829170 ZSQQBKUIHWULEQ-UHFFFAOYSA-N 310.404 1.553 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1c(C)cccc1C 8390050 DGBUIZISAAPOLQ-CMDGGOBGSA-N 305.330 1.904 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCCNC(=O)[C@@H]1C 530521164 GPGDRVOEBFUPNU-RYUDHWBXSA-N 318.373 1.298 0 40 DDAB CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2)C1 10384141 FRKAPDKZESAWLZ-GJZGRUSLSA-N 307.390 1.701 0 40 DDAB C[C@@H](Sc1nnc(N)s1)C(=O)NC(=O)NC(C)(C)C 15699561 FPAZCIVUDLUWTM-RXMQYKEDSA-N 303.413 1.225 0 40 DDAB CCCS(=O)(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5652964 KDYYXDURYWZVDG-UHFFFAOYSA-N 306.409 1.089 0 40 DDAB CN1C[C@H]2CN(Cc3cc(F)ccc3F)CC[C@@H]2OCC1=O 2037984253 VOVDNSDRGBSIQJ-WFASDCNBSA-N 310.344 1.644 0 40 DDAB COCCN1CCC[C@@]12CCCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1565551907 XCEXZKYVTWXDBT-MUQADHOPSA-N 322.449 1.372 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(CCc2ccccc2)C1 2055772168 CWNIANPVZYJGBN-GOSISDBHSA-N 312.417 1.663 0 40 DDAB O=C(NCC1CCN(C2CCCC2)CC1)C(=O)NC1CCCC1 23127371 FZYBBJSMOMWGDG-UHFFFAOYSA-N 321.465 1.816 0 40 DDAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1ccsc1 575617841 XHXNXGODYSBZSG-LLVKDONJSA-N 314.374 1.195 0 40 DDAB CCCc1noc(CS(=O)(=O)CC(=O)N[C@H](C)CCC)n1 40528718 UZNNKDLBBIPRQT-SNVBAGLBSA-N 317.411 1.242 0 40 DDAB CCOc1ncccc1CNC(=O)c1n[nH]c(=O)c2ccccc12 30309596 LZPGFXPYFUOSNO-UHFFFAOYSA-N 324.340 1.647 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1ccc2c(c1)OCO2 31662705 HCIMEPJWBACFRL-MRVPVSSYSA-N 305.252 1.999 0 40 DDAB CCOC(=O)c1ccc(Nc2n[nH]c3nc(C)cc(=O)n23)cc1 100975922 XALMIBWLNZLGFZ-UHFFFAOYSA-N 313.317 1.646 0 40 DDAB CC(C)CC(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 53129534 AKAJJJWFZLNKEB-LLVKDONJSA-N 315.377 1.590 0 40 DDAB S=C(NCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 33532903 IKZVBWHQVLOHKC-UHFFFAOYSA-N 323.506 1.752 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCN2CCN(C)CC2)o1 53718179 IOMYUOFYLQPIEH-HOCLYGCPSA-N 319.449 1.699 0 40 DDAB O=C(CNC(=O)c1ccc(-n2ccnc2)cc1)NCc1ccco1 24050513 WQVFLBHIPSQOLJ-UHFFFAOYSA-N 324.340 1.512 0 40 DDAB Nc1nc(Cl)cc(NCc2ccc(N3CCOCC3)nc2)n1 24056836 WULPYXRRFNATDS-UHFFFAOYSA-N 320.784 1.556 0 40 DDAB Cn1nccc1CNC(=O)CCNC(=O)Nc1ccccc1 30582845 GPFIOTJZUJHDGS-UHFFFAOYSA-N 301.350 1.248 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cncn1 45169146 OHXABUZTKDRJQW-LBPRGKRZSA-N 303.341 1.327 0 40 DDAB Cc1nc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cn1C 50253251 ZAPQJWQWESOOBA-UHFFFAOYSA-N 313.310 1.367 0 40 DDAB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccs1 7309822 SBPSWXMGVOPGTL-UHFFFAOYSA-N 314.388 1.278 0 40 DDAB CCN1CCN(C(=O)c2n[nH]c3c2CCc2ccccc2-3)CC1 15772792 DENSDBNLXHCNDS-UHFFFAOYSA-N 310.401 1.953 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NCc1ccoc1 36392692 ALOGVORDAQTFAU-UHFFFAOYSA-N 303.343 1.758 0 40 DDAB CN(C)C(=O)c1cccc(NC(=O)COCC(F)(F)F)c1 36393263 JCIKCAKZRWJIOT-UHFFFAOYSA-N 304.268 1.906 0 40 DDAB O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccccn1 40268026 NPCPWNOTZBDMOP-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(=O)[nH]c1 11008280 CWMLEOUHIROLNC-LBPRGKRZSA-N 318.354 1.023 0 40 DDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccccc1F 36575543 QORMGHWXWBYJFC-UHFFFAOYSA-N 315.308 1.849 0 40 DDAB CC(C)(C)c1ccc([C@@]2(Br)C(=O)NC(=O)C2=O)cc1 1760314 AZYLDIJLHPOXGM-AWEZNQCLSA-N 324.174 1.800 0 40 DDAB COCCN(Cc1ccccc1)C(=O)Cn1ccccc1=O 40460936 OBFSFYBMFLAMIB-UHFFFAOYSA-N 300.358 1.524 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCO1 40479683 UMXBCOZDDHOCCK-SECBINFHSA-N 317.794 1.604 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccccc2F)no1 40489863 CSXDYSAHGRVKTI-SECBINFHSA-N 312.322 1.923 0 40 DDAB COc1cccc([C@@H](C)NC(=O)c2c(C(=O)O)cnn2C)c1 20318458 GHAVBOCRDUYDQL-SECBINFHSA-N 303.318 1.618 0 40 DDAB Cn1c(C(=O)N[C@@H]2CCCCNC2=O)cc(Cl)c1Cl 40540806 OGXWVQODBYGGCY-MRVPVSSYSA-N 304.177 1.730 0 40 DDAB NC(=O)C1CCN(CC(=O)N2CCC[C@@H]2c2ccsc2)CC1 51186174 NBANMQZAHHCJGQ-CQSZACIVSA-N 321.446 1.609 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1 6953132 LVHCVWIYLOEPTR-CYBMUJFWSA-N 309.797 1.879 0 40 DDAB O=C(CNC(=O)c1ccccc1)NCCc1ccccc1F 7545049 QIIDYBZYYDZPBE-UHFFFAOYSA-N 300.333 1.914 0 40 DDAB O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1Cl 69386999 CCPIBOUOVDLLFU-XJKSGUPXSA-N 321.808 1.971 0 40 DDAB CN1N=C(C(=O)N[C@@H]2CCSc3ccccc32)CCC1=O 32338631 CFHRHQAQLOAIEA-LLVKDONJSA-N 303.387 1.948 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cncn2-c2ccccc2)CC1 32300623 GSQQHZIPYOSDSL-UHFFFAOYSA-N 312.373 1.471 0 40 DDAB CCOc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675551 DGFRAZPULVYPBT-SNVBAGLBSA-N 317.305 1.064 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 32820382 BXUBWFRNQWBTQP-UHFFFAOYSA-N 308.403 1.626 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cn1 32845305 YQRXPJJOUGXSAB-ZDUSSCGKSA-N 312.373 1.911 0 40 DDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCCc2ccccc21 69700102 TWZRACXMPHVBCW-CQSZACIVSA-N 311.389 1.162 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 69778695 IEWWTLFMVSZAPS-ZFWWWQNUSA-N 316.405 1.366 0 40 DDAB CCc1ccc(CN(CC(=O)NCC(=O)OC)C2CC2)cc1 32928778 PIMPHSDADYTUIJ-UHFFFAOYSA-N 304.390 1.503 0 40 DDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)c1ncccn1 32908850 VBRCNUYKSNAIOV-UHFFFAOYSA-N 313.361 1.431 0 40 DDAB CCOC(=O)N[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)C(C)C 32913870 RARKDLZOCUWOOF-CYBMUJFWSA-N 321.377 1.172 0 40 DDAB CC(=O)N[C@H](CC(=O)N1CCCN(C)CC1)c1ccccc1 32963992 YBMDPYDCGZTEBT-MRXNPFEDSA-N 303.406 1.418 0 40 DDAB C[C@@H](NC(=O)NCc1nncn1-c1ccccc1)[C@@H]1CCCO1 41371095 VXNXFHQVORTXMO-OCCSQVGLSA-N 315.377 1.634 0 40 DDAB C[C@@H](C(=O)N1CCCC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 21916632 HGNNHGKKUAMHRX-LBPRGKRZSA-N 314.389 1.366 0 40 DDAB Cc1csc(=O)n1CCC(=O)NCCN1CCC[C@H](C)C1 46879677 VOGGFAHGFGUPBO-LBPRGKRZSA-N 311.451 1.456 0 40 DDAB O=C(CCCNc1ncccn1)Nc1nnc(-c2ccccn2)[nH]1 53527414 FTUSQOPYESPTSL-UHFFFAOYSA-N 324.348 1.488 0 40 DDAB Cn1cccc1C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 106823571 UIBWDCSBVYHJLK-BPUTZDHNSA-N 304.390 1.824 0 40 DDAB COCCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OC)=C1C 23219260 WCNNWFRQYRIDSC-LBPRGKRZSA-N 310.375 1.908 0 40 DDAB FC(F)(F)c1ccnc(N2CCN(c3ncccn3)CC2)n1 24052846 HVEPUJKQIMKQOB-UHFFFAOYSA-N 310.283 1.612 0 40 DDAB Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1 24474007 DHJXADJLUOBNKI-JTQLQIEISA-N 302.309 1.551 0 40 DDAB Cc1cccc(C)c1OCCCN(C)C(=O)CN1CCOC1=O 55109125 LUFVDNVENAHBHE-UHFFFAOYSA-N 320.389 1.983 0 40 DDAB C[C@H]1CCCCN1[C@H](C)CNC(=O)CCNC(=O)C(C)(C)C 106514486 GKZGWZZOWRQFPF-UONOGXRCSA-N 311.470 1.918 0 40 DDAB Cn1nc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1=O 43549344 ACFDVEHCPLVXAS-KRWDZBQOSA-N 320.352 1.695 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 35436330 LZQQHEIZPDVMSA-UHFFFAOYSA-N 313.760 1.582 0 40 DDAB Cc1cccc(NC(=O)CCNC(=O)c2cc(C)nn2C)n1 65905052 PGSNHYOKUCOXFE-UHFFFAOYSA-N 301.350 1.191 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)CCCNC(=O)C2CC2)no1 48139599 IECPDSNVCJPYGW-AWEZNQCLSA-N 305.378 1.953 0 40 DDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCCC2)cc1 48158626 OVDWRNYTGDSNIL-UHFFFAOYSA-N 319.361 1.146 0 40 DDAB CCNC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 58291466 LITXVGWIPQVSFY-UHFFFAOYSA-N 314.407 1.520 0 40 DDAB CCCCn1nnnc1Cn1cc(C)n(-c2cc(C)on2)c1=O 48290565 HABFTXPPJDASAB-UHFFFAOYSA-N 317.353 1.079 0 40 DDAB O=c1cc(CN(Cc2ccsc2)C[C@H]2CCCO2)[nH]c(=O)[nH]1 48308546 CSIOQCDFNUVAOH-CYBMUJFWSA-N 321.402 1.306 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2ccc(C)s2)NC(=O)NC1 12847326 OCDMEIDPWVUDOV-UHFFFAOYSA-N 324.358 1.343 0 40 DDAB Cc1ccoc1-c1nnc(CN2CCC[C@H]2Cn2cncn2)o1 69601494 HZRRAHVEKLVOJY-LBPRGKRZSA-N 314.349 1.894 0 40 DDAB CCc1cccc(C)c1NC(=O)CN(C)CC(=O)NC1CC1 7926008 YQXPMOGZFXLLIX-UHFFFAOYSA-N 303.406 1.706 0 40 DDAB Cc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 7921731 HWHBEXDTEDKCIN-ZDUSSCGKSA-N 313.444 1.532 0 40 DDAB COc1cc2c(cc1OC)CN(CC(=O)NC(C)(C)C)CC2 5348167 KMGIICGNLZGRIN-UHFFFAOYSA-N 306.406 1.977 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 4504628 OQJFEVJVEZCBHB-SNVBAGLBSA-N 318.192 1.366 0 40 DDAB C[C@H]1C[C@H](c2ccccc2)n2nc(NS(C)(=O)=O)nc2N1 5497990 BTBPSPJYTFUGLY-GXSJLCMTSA-N 307.379 1.443 0 40 DDAB COC(=O)c1cc(NC(=O)c2cnn(C)c2)cc(C(=O)OC)c1 14797141 QCMJTXUUADLOCD-UHFFFAOYSA-N 317.301 1.246 0 40 DDAB O=C(Nc1nc[nH]n1)c1ccc(I)cc1 5996805 KCKAKUHGVAKZQK-UHFFFAOYSA-N 314.086 1.662 0 40 DDAB O=S(=O)(Nc1ccccc1CO)c1ccc2c(c1)OCCO2 7158912 XILJLZNNBOTEDG-UHFFFAOYSA-N 321.354 1.751 0 40 DDAB COCCNC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162220 UVGUREBBEZVXHH-UHFFFAOYSA-N 320.370 1.730 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCN(C2CC2)C1 67542822 NYHLWRSVZROPGJ-LBPRGKRZSA-N 303.362 1.451 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](n3ccnc3C)C2)n1 69900971 XPCFHFGNMOFSSB-HNNXBMFYSA-N 301.394 1.869 0 40 DDAB CCONC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 8777139 YIFPUYWCVKBEOP-UHFFFAOYSA-N 312.391 1.155 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)o1 71870444 BXLLFGDQJALSAT-GJZGRUSLSA-N 319.405 1.615 0 40 DDAB Cc1ccc(N2CCC[C@H](NCc3nc(C)ccc3O)C2)nn1 71877211 OUMHWEINAXRHRL-AWEZNQCLSA-N 313.405 1.953 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)[C@@H](C)c1c(C)noc1C)C2 71860172 QFRYVOHYVGZXBE-VIFPVBQESA-N 315.377 1.812 0 40 DDAB CN(C(=O)Nc1cccnc1)[C@H]1CCN(CC(F)(F)F)C1=O 75137573 CCJHQODVHGITKN-JTQLQIEISA-N 316.283 1.709 0 40 DDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CCCO2)n1 84114738 ZIOAUIPOWHTSNT-LBPRGKRZSA-N 301.350 1.705 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)CCn2cc(C)cn2)no1 72299191 YZLBSEHWTBHMFL-LBPRGKRZSA-N 303.366 1.891 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)n1 97036683 OJEHAGYFXWPLTP-CQSZACIVSA-N 323.299 1.720 0 40 DDAB Cc1cccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 84210704 SYZXJUYGRIEEPH-IAGOWNOFSA-N 302.418 1.595 0 40 DDAB COc1ccc(Nc2ncnc3c2cnn3CCO)cc1OC 97199653 YJHWYKRSUONGND-UHFFFAOYSA-N 315.333 1.579 0 40 DDAB O=C(Nc1ccc(CN2CCOC2=O)cc1)c1ccc[nH]c1=O 84358010 CQZWYQPYJPUNMR-UHFFFAOYSA-N 313.313 1.579 0 40 DDAB O[C@@H](CN1CCn2c(nnc2C2CC2)C1)c1ccc(F)c(F)c1 84341063 DEAVUNUJNMMBBY-AWEZNQCLSA-N 320.343 1.983 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C(C)C)n[nH]1)CC2 89986413 MITXHXCMYNCZDY-GJZGRUSLSA-N 321.421 1.925 0 40 DDAB COc1cccc([C@H](O)CNC(=O)Cc2csc(C)n2)c1 75610510 RWFYGIBYUGHWKZ-CQSZACIVSA-N 306.387 1.852 0 40 DDAB CNC(=O)Cc1nc(-c2cc(C(=O)N(C)C)cs2)cs1 95408431 ZNOBJHHPGLEYSA-UHFFFAOYSA-N 309.416 1.862 0 40 DDAB C[C@@H](NC(=O)NCCc1cnn(C)c1)[C@H]1COc2ccccc21 95437518 FYZHFTKOSGJURJ-IUODEOHRSA-N 314.389 1.827 0 40 DDAB CCO[C@H](C)c1noc(CN[C@](C)(C(N)=O)c2ccccc2)n1 84800627 DTJAPPGICXHKJD-BZNIZROVSA-N 318.377 1.657 0 40 DDAB C[C@H]1CN(CCCCNc2cn[nH]c(=O)c2Cl)C[C@H](C)O1 95970986 QNOIQUUNDWQVQA-QWRGUYRKSA-N 314.817 1.725 0 40 DDAB COCCN1C[C@H](C(=O)Nc2ccc3c(c2)CCO3)CC1=O 74458298 JLLOMCDQERAXBP-GFCCVEGCSA-N 304.346 1.055 0 40 DDAB CCc1ncncc1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 74683106 YZESDUDKQMRWOO-INIZCTEOSA-N 324.384 1.964 0 40 DDAB CC[C@H](OC)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1=O 78814198 DLNLOQUNVHHAPR-KBPBESRZSA-N 308.353 1.862 0 40 DDAB Cc1ccccc1-c1cc(NS(=O)(=O)c2c[nH]cn2)n(C)n1 78967733 CRWGWPHQKGABSW-UHFFFAOYSA-N 317.374 1.919 0 40 DDAB COc1cccc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1OC 1553431660 NTLHHRYQWPEDDG-GUYCJALGSA-N 319.405 1.379 0 40 DDAB Cc1cnc(NC(=O)C(=O)N2CCC[C@@H](c3cn[nH]c3)C2)s1 123796268 QYVPGCSKJGTCAZ-SNVBAGLBSA-N 319.390 1.519 0 40 DDAB CN(CC(=O)NC[C@@H](O)c1ccc(F)c(F)c1)c1cnccn1 31294025 LOADROMHAPAPNC-CYBMUJFWSA-N 322.315 1.041 0 40 DDAB COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 127721581 PMQQKIBTRKVRHJ-GJZGRUSLSA-N 318.417 1.886 0 40 DDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccccc1Cl 36635315 TZJSCWNHPIODMH-SNVBAGLBSA-N 309.778 1.982 0 40 DDAB OCCN1CCCC[C@H]1c1ccnc(Nc2ncccn2)n1 72377400 PLSZHGDTKDQBIJ-ZDUSSCGKSA-N 300.366 1.530 0 40 DDAB CCCOC(=O)c1ccc(Sc2nnc(CC)n2N)c(N)c1 70462366 XSBPFNNUVDBGKQ-UHFFFAOYSA-N 321.406 1.855 0 40 DDAB Cc1ccc(NC(=O)CSc2nnc(O)[nH]c2=O)cc1F 71405412 ABVUATDZKYETDG-UHFFFAOYSA-N 310.310 1.049 0 40 DDAB CC(=O)N1CC[C@@H]1c1cc(NCc2snnc2C)nc(C)n1 72387652 DWLDGJPIRYFXKG-GFCCVEGCSA-N 318.406 1.850 0 40 DDAB CNC(=O)c1cn[nH]c1[C@@H]1CCCN1c1nc(C)cc(C)n1 72366155 RAPIOWBUSBANPU-LBPRGKRZSA-N 300.366 1.518 0 40 DDAB Cc1csc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)n1 32611594 WARKVOLJMOVIGB-SECBINFHSA-N 303.409 1.062 0 40 DDAB CS(=O)(=O)c1csc(-c2n[nH]c(=O)o2)c1-n1cccc1 40448171 NAMYJOJAMNWMAJ-UHFFFAOYSA-N 311.344 1.286 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC(c2n[nH]c3nccnc23)CC1 72393769 LODUKERHTZKCAF-NSHDSACASA-N 301.350 1.238 0 40 DDAB CCN1C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc21 227162093 ZXUIMXLUIAGDNT-UHFFFAOYSA-N 324.402 1.653 0 40 DDAB CCc1noc([C@@H]2CCCN(C(=O)c3snnc3C)C2)n1 40714741 GCBVKASRYVWVBM-SECBINFHSA-N 307.379 1.812 0 40 DDAB CC(C)NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972338 SWWBZKLEADCGGM-UHFFFAOYSA-N 304.799 1.874 0 40 DDAB O=C(NC[C@]1(O)CCOc2ccccc21)c1cc(C2CC2)on1 85470330 PJBIJHOBJUSPFH-QGZVFWFLSA-N 314.341 1.952 0 40 DDAB CCN1CCN(C(=O)c2snnc2-c2ccccc2)CC1 225760523 JYQZHQZRUAOFJF-UHFFFAOYSA-N 302.403 1.983 0 40 DDAB COCCNC(=O)c1cc(Br)c(OC)c(OC)c1 339890056 ILSVICKZMTZUOI-UHFFFAOYSA-N 318.167 1.843 0 40 DDAB O=C(CNc1cc(F)ccc1OC(F)F)N1CCOCC1 96470271 DFAVSQGPMNOAFI-UHFFFAOYSA-N 304.268 1.698 0 40 DDAB CC(C)C(=O)N1CCC[C@@]12CCCN(C(=O)c1ccno1)C2 96071268 RTFZENXNUSAGLC-MRXNPFEDSA-N 305.378 1.928 0 40 DDAB CCOC(=O)c1nn(-c2ccncc2)c(N)c1Br 95094645 YIOGFEKJCFEJIJ-UHFFFAOYSA-N 311.139 1.789 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1F 96069001 RCXVGSIYAMBQOO-GXTWGEPZSA-N 308.353 1.754 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)c2ccccc12 95478029 MILHUWPTMBRQRI-ZDUSSCGKSA-N 313.401 1.753 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 96041660 PWKPKNGPJJGNMM-RRFJBIMHSA-N 312.410 1.343 0 40 DDAB Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCc3ccccc31)CC2 238815798 BLBFXXNTRTZDKR-CYBMUJFWSA-N 309.369 1.475 0 40 DDAB c1ccc(NCc2cnc3n2CCN(c2ncccn2)CC3)nc1 96197110 PQDRKBSBEGQUCA-UHFFFAOYSA-N 321.388 1.743 0 40 DDAB O=C1CO[C@]2(COCCN(CC3CC3)C2)CN1c1ccoc1 96051411 GVNGNQGJRVPDNI-INIZCTEOSA-N 306.362 1.124 0 40 DDAB CN1C(=O)c2cccnc2O[C@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 514288719 AYFPSMVLPBFTFZ-OLZOCXBDSA-N 317.389 1.562 0 40 DDAB biogenic,in-vitro c1cncc(O[C@H]2CN(CCN3CCCC3)[C@@H]3CCCO[C@H]23)c1 96187110 QISGLXQTCYYGTF-SQNIBIBYSA-N 317.433 1.788 0 40 DDAB CS(=O)(=O)N1CCCC12CCN(C(=O)c1ccco1)CC2 96049354 DDADVLVHEHTMRQ-UHFFFAOYSA-N 312.391 1.310 0 40 DDAB CCS(=O)(=O)N1Cc2c(Cn3cccc3)nn(C(C)C)c2C1 96259155 NDKZZTJECOJAEY-UHFFFAOYSA-N 322.434 1.979 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cccnc1OC)C2 96039201 NKVKZHCWNIXOMM-WMLDXEAASA-N 320.389 1.748 0 40 DDAB NC[C@]1(N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242648305 QRJAPCLRNUHVBA-OAGGEKHMSA-N 320.389 1.422 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)ccn1 257206394 BDEWEPYLNBAGRT-INIZCTEOSA-N 314.389 1.803 0 40 DDAB CCc1nccn1CC(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O 257317218 VIWCSYOOAWJMBT-XJKCOSOUSA-N 309.410 1.222 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)cs1 257264479 LUNVIHRIWQQTTP-ZIAGYGMSSA-N 324.446 1.389 0 40 DDAB CCn1cc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1 257324188 WNPOLVQIINHHHB-HZPDHXFCSA-N 305.353 1.666 0 40 DDAB Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CCCO3)C2)nc(O)c1C 257260733 LECMQEFOWNFSOX-CHWSQXEVSA-N 320.393 1.063 0 40 DDAB CCc1[nH]ncc1C(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257318054 VMGRDMCVMCNFKL-SMDDNHRTSA-N 304.394 1.445 0 40 DDAB Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 257289773 QACPTIZSLAMATM-ZDUSSCGKSA-N 321.406 1.662 0 40 DDAB Cc1oncc1C(=O)NC[C@H](O)c1ccc2c(c1)CCN2C 96362534 IGKYYCQXJMPXFN-HNNXBMFYSA-N 301.346 1.439 0 40 DDAB CCOCC(=O)N1CC(F)(F)C[C@]2(CCN(CC)C2=O)C1 585093189 IDNCGZXMBUKNNI-CYBMUJFWSA-N 304.337 1.129 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NC2CCCC2)C1 585096111 RRFYXVXNPSUAFO-UGFHNGPFSA-N 316.405 1.481 0 40 DDAB CCn1ncc(CN[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)n1 585087128 POSCPHVBCZLHGK-YOEHRIQHSA-N 314.437 1.693 0 40 DDAB Cn1cc(CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2)cn1 44970616 WOCRTZHHIDVQJW-AWEZNQCLSA-N 322.796 1.649 0 40 DDAB CCN(CC1CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 80216427 MVYNUEQSELQOEF-HNNXBMFYSA-N 301.390 1.945 0 40 DDAB CN(C)C(=O)CN(C#N)c1ccc(F)c(Br)c1 96447839 LFCSGWPUTZJXCZ-UHFFFAOYSA-N 300.131 1.964 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 169305191 YYWXQLYAGFRUQP-HKBMDRHJSA-N 309.321 1.973 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 8092037 HXDWTBOIRGIFAP-BJMVGYQFSA-N 309.299 1.307 0 40 DDAB COc1cncc(O[C@@H]2CCCN(S(=O)(=O)C(C)C)C2)n1 225501741 RTMSAOXCHWULRH-LLVKDONJSA-N 315.395 1.067 0 40 DDAB O=C(Nc1nc[nH]n1)c1cnc2c(cnn2Cc2ccccc2)c1 23141012 PKURAACGMXWTDJ-UHFFFAOYSA-N 319.328 1.850 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@H](NC3CCC3)CS2)C1 2056223444 LQEQZRVVLDWBGV-ZDUSSCGKSA-N 304.419 1.319 0 40 DDAB CCOC[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2cn(C)nc21 1615601739 JOFYAYQEDVBTAS-LBPRGKRZSA-N 313.348 1.928 0 40 DDAB O=S(=O)(N[C@H]1CCCN(c2ccc(Cl)cn2)C1)C1CC1 2086884609 UIWKOFROCIVFKF-NSHDSACASA-N 315.826 1.786 0 40 DDAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@H](N)C2)n1 152452455 DUHHWSPJUJGWKL-NSHDSACASA-N 304.325 1.199 0 40 DDAB CO[C@@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 55048834 CLJNZWFHXRUDAZ-ZDUSSCGKSA-N 320.389 1.137 0 40 DDAB O=C(c1cnc2n(c1=O)CCS2)N1CCOc2ccccc21 24585920 QPKWHOJNWWKLGW-UHFFFAOYSA-N 315.354 1.388 0 40 DDAB CCc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1 55107350 RMQFTPPPMXRINN-UHFFFAOYSA-N 316.430 1.992 0 40 DDAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccn(C)n3)cc2)CCO1 25076774 XYIUVMRYTCIDKT-ZDUSSCGKSA-N 314.389 1.893 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2C)ccc1=O 77737052 XGVHAXHVMQHVAS-CHWSQXEVSA-N 319.405 1.749 0 40 DDAB CC(C)c1nnc2n1CCN(C[C@H](O)COCc1ccco1)C2 78783547 RJYAUBIBFUBQHW-ZDUSSCGKSA-N 320.393 1.388 0 40 DDAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)NC1CC1 1371483 VZHORPSSTAMHGO-UHFFFAOYSA-N 312.420 1.647 0 40 DDAB NC(=O)NCCCC[C@@H]1NC(=S)N(c2ccccc2)C1=O 1621706 ZGCSHCJYUKDPFL-NSHDSACASA-N 306.391 1.115 0 40 DDAB CCOC(=O)N[C@@](Nc1ncccn1)(C(=O)OC)C(F)(F)F 79482841 XGPAPONNNSZNTD-JTQLQIEISA-N 322.243 1.066 0 40 DDAB CC[C@](C)(NCCC(=O)N1CCOCC1)c1nc(C)cs1 72864881 RXCDYSZHPUBWLK-HNNXBMFYSA-N 311.451 1.915 0 40 DDAB COc1ccnc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 25570574 KVFZAXMRCNGYGZ-GFCCVEGCSA-N 302.334 1.363 0 40 DDAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCCOC 4968520 AFKWTARUJFGNMC-UHFFFAOYSA-N 324.402 1.951 0 40 DDAB CO[C@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@H]2[C@@H]1N2C(=N)S 6403093 FMTMFDCCMVONNO-HVQQFZCJSA-N 308.359 1.115 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 6882183 JENFJKSJIMPAEH-OAHLLOKOSA-N 324.446 1.445 0 40 DDAB CCOc1ccccc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 44456820 GESBAQQREZRZTQ-NSHDSACASA-N 312.391 1.642 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@H]1[C@H]2CCc3ccccc3[C@@H]21 104321837 TYSBDMDLJCGTSG-VKJFTORMSA-N 316.401 1.183 0 40 DDAB O=C(O)C1=C[C@@H](c2ccncc2)n2nc(C(F)(F)F)nc2N1 102335961 GEXJBJTTWAGBJB-QMMMGPOBSA-N 311.223 1.675 0 40 DDAB O=C(O)COCC(=O)NCCNc1ncc(Cl)cc1Cl 44980400 NPPFBQSLHTYNCS-UHFFFAOYSA-N 322.148 1.018 0 40 DDAB C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(-n2ccnc2)cc1 44936655 AMJRYKGZOXHYJA-RYUDHWBXSA-N 321.402 1.483 0 40 DDAB O=C(COc1ccc(F)cc1F)N1CCC(n2cncn2)CC1 58328652 OPUJBDBNCPZBGS-UHFFFAOYSA-N 322.315 1.799 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1OC 27932505 RVIGPLNVOMRVIJ-VIFPVBQESA-N 319.354 1.300 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c(C)c1 10753270 XWMZPHZMONBYFY-AWEZNQCLSA-N 324.446 1.853 0 40 DDAB NC(=O)Cn1cc(NC(=O)c2cc3cc(F)ccc3o2)cn1 95398242 CDGQAIOCVLULRV-UHFFFAOYSA-N 302.265 1.506 0 40 DDAB O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc[nH]n1 58728665 MIIVTYORRMSGKJ-ZDUSSCGKSA-N 303.293 1.726 0 40 DDAB Cc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)nc1 29437617 OKJYISDAKJNCNL-AWEZNQCLSA-N 323.356 1.449 0 40 DDAB CN(C)c1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)ccn1 46623384 XUGOYIMZHNSQHU-UHFFFAOYSA-N 323.356 1.314 0 40 DDAB CC(C)c1cccc(N2C[C@H](C(=O)N(C)CC(N)=O)CC2=O)c1 46980105 PJYGDDUYJORYTG-CYBMUJFWSA-N 317.389 1.107 0 40 DDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1 46941253 DQLJPSDIUULXDE-ZJUUUORDSA-N 309.341 1.412 0 40 DDAB C[C@H]1CN(C(=O)COc2ncnc3ccccc23)C[C@@H](C)O1 12567163 DUNLBNKKNFNJBO-TXEJJXNPSA-N 301.346 1.644 0 40 DDAB COC(=O)[C@H](CNCc1ccccn1)[C@@H](O)c1ccncc1 12537007 PIHBIQNNBYFXDJ-CABCVRRESA-N 301.346 1.089 0 40 DDAB CC(C)c1nn(C)c(Cl)c1CN[C@H]1CCS(=O)(=O)C1 48686420 RTLAQVHHFDHXJP-VIFPVBQESA-N 305.831 1.474 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C)n1C1CC1 63249816 JPVUONZGGABKEQ-LBPRGKRZSA-N 319.405 1.417 0 40 DDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 13844583 VPYDECUEMGPVDD-JXMROGBWSA-N 308.403 1.620 0 40 DDAB CCOc1ccc(C[C@@H](CNC(=O)c2ccoc2)C(N)=O)cc1 65492129 PMXQJFUSUXVQNO-AWEZNQCLSA-N 316.357 1.752 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 14159368 ZZMWJIHVKCBXQP-UHFFFAOYSA-N 310.419 1.905 0 40 DDAB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3)cc(OC)c1OC 6667784 ZSDOTABARBKHBW-VIFPVBQESA-N 319.313 1.127 0 40 DDAB COCC(=O)OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4806311 LZRGDNUEMRTTKD-GVMDUPDNSA-N 309.406 1.897 0 40 DDAB Cc1cc(C)c(C(=O)N[C@H](C)CC(=O)c2ccco2)c(=O)[nH]1 95413757 CEXASCNYUJZFCB-LLVKDONJSA-N 302.330 1.976 0 40 DDAB O=C(NC1CCCCCC1)C1=CC=CN2CCS(=O)(=O)N=C12 6904483 VLPPYJHKXAHPTK-UHFFFAOYSA-N 323.418 1.323 0 40 DDAB CCc1nn(C)c(CC)c1CN[C@H]1CCN(C(=O)C(C)C)C1 95440132 VQTDNQVAMWXROC-ZDUSSCGKSA-N 306.454 1.891 0 40 DDAB Cc1ccc(N2N=C(C(=O)O)S(=O)(=O)c3cccnc32)cc1 67172748 ZTAXGVCKCIYBHJ-UHFFFAOYSA-N 317.326 1.714 0 40 DDAB O=C(CC[C@@H]1CCCO1)N1CCC(Nc2cccnn2)CC1 71863367 FOXPJRVRQRIXEI-AWEZNQCLSA-N 304.394 1.839 0 40 DDAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CCC(N)=O)C1=O 7201532 YHLMNNTYFKVQKJ-KRWDZBQOSA-N 311.341 1.482 0 40 DDAB COC[C@H](C)S(=O)(=O)NCCc1c[nH]c2ccc(F)cc12 71914045 UDCCNKHTGVOKPB-JTQLQIEISA-N 314.382 1.804 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1CCc2cncnc2C1 69489755 BZLMFKRKILCYTM-UHFFFAOYSA-N 302.403 1.555 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCCc1ccsc1 69595790 FRQYHNXFMNAWDD-AWEZNQCLSA-N 319.434 1.163 0 40 DDAB Cn1cnc(CNC(=O)N2CCO[C@](C)(c3ccccc3)C2)n1 91774909 IEGIDZDTLWSNAT-INIZCTEOSA-N 315.377 1.272 0 40 DDAB O[C@H](CNCCn1cccn1)c1ccc(Br)cc1 69982020 XLXUAWCNZYLIAG-CYBMUJFWSA-N 310.195 1.969 0 40 DDAB Cn1nnc2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)ccc21 69971031 YGIOSSKJUMIVDT-CQSZACIVSA-N 324.388 1.860 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc(CO)o1 72298341 BGMAQPUDFIHDNO-DYVFJYSZSA-N 319.405 1.990 0 40 DDAB COc1cccc(NC2CCN(Cc3n[nH]c(=O)[nH]3)CC2)c1 92618949 NQXAYRSWDZWYHI-UHFFFAOYSA-N 303.366 1.183 0 40 DDAB CN1CC[C@H](CNC(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 97164739 CBDNRYQIAJAAHD-ZIAGYGMSSA-N 319.405 1.928 0 40 DDAB CCOCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9095486 LKKAWXSROBGHJC-LBPRGKRZSA-N 306.362 1.570 0 40 DDAB C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1nccnc1C(N)=O 73939459 IXHLFTJUWDLORU-ONGXEEELSA-N 316.386 1.655 0 40 DDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2c(c1)N(C)CC2 96011219 KGHAMWDYYACRGG-RYUDHWBXSA-N 324.446 1.573 0 40 DDAB CCN1CCO[C@H](CNCc2c[nH]nc2-c2ccc(C)o2)C1 75133625 XMEKNQZXLYMFIZ-CQSZACIVSA-N 304.394 1.788 0 40 DDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 89878740 IAAKSRHAGVFSQU-HUUCEWRRSA-N 318.398 1.348 0 40 DDAB COc1cccc2cc([C@H](C)NC(=O)[C@H]3CNC(=O)N3)oc12 89904624 QGAGGSXZRQATNI-WCBMZHEXSA-N 303.318 1.300 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(Cc3ncc(CC)o3)CCO2)n1 76049368 LUZMQRSEGIIQQV-LBPRGKRZSA-N 305.382 1.881 0 40 DDAB CCCCc1nc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)no1 76048673 PUIZZZLCMDGIAH-LLVKDONJSA-N 306.370 1.412 0 40 DDAB COc1ccc(-c2nnc3ccc(OCCN)nn23)cc1OC 38478046 CLJZLFYLWMBVAU-UHFFFAOYSA-N 315.333 1.146 0 40 DDAB CNC(=O)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239182 DQQSCXJROFMSPR-UHFFFAOYSA-N 322.390 1.624 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)N(C)CCC(=O)O)cc1 32185962 FLWXJWJCCKLSRW-UHFFFAOYSA-N 301.364 1.569 0 40 DDAB CSc1nnc2n(Cc3ccccc3)c3ncnc(N)c3n12 218251186 FLSWOBWWDKOTRK-UHFFFAOYSA-N 311.374 1.826 0 40 DDAB COCCN1CC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 78663171 ZYSYVYWQIRVSFF-MRXNPFEDSA-N 300.406 1.683 0 40 DDAB COc1ncc(S(=O)(=O)N2CCCC2)cc1Br 2362801421 HXSYHQDXOGJBJM-UHFFFAOYSA-N 321.196 1.637 0 40 DDAB C[C@H](N)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 79404558 VLUXJUAHIPBKBB-GOEBONIOSA-N 301.434 1.847 0 40 DDAB CCN(CC1CCN(C(=O)[C@H](C)N)CC1)C(=O)OC(C)(C)C 79409733 MWFLMXLOPSGYEA-LBPRGKRZSA-N 313.442 1.829 0 40 DDAB CC(C)Nc1ccc(CC[C@H]2CCCN2S(C)(=O)=O)nn1 72364972 ONNKXSBKLMPMRY-CYBMUJFWSA-N 312.439 1.654 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 74689357 WTEKPWUHOJTPBI-GDBMZVCRSA-N 318.417 1.966 0 40 DDAB CCOC(=O)N1c2ccccc2S[C@@H]2CS(=O)(=O)C[C@@H]21 217356109 XLZZRDWIADKFOT-CMPLNLGQSA-N 313.400 1.921 0 40 DDAB COc1ncccc1NC(=O)C(=O)NCc1ccccc1Cl 44890595 MAMIYMRWDVTOJE-UHFFFAOYSA-N 319.748 1.999 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cn1 69873478 VZAPZMRFZCPNND-UKRRQHHQSA-N 316.405 1.342 0 40 DDAB Cc1cc(Cc2ccc(OCCCN(C)C)cc2)c(=O)[nH]n1 199783804 HZBJOXJYMICTTI-UHFFFAOYSA-N 301.390 2.000 0 40 DDAB CCCc1nnc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 48475507 IAMXHGGVFCQEMT-QMMMGPOBSA-N 318.424 1.047 0 40 DDAB C[C@H]1CN(C(=O)c2cccc(-c3nnnn3C)c2)C[C@@H](C)O1 40773288 GUVJIUKOTSTJFA-PHIMTYICSA-N 301.350 1.127 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 42646021 QVVROLOTMXKMJF-UHFFFAOYSA-N 318.204 2.000 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCCn1cnc2ccccc21 69536472 PXYZQDNQSUAQPX-UHFFFAOYSA-N 312.421 1.934 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cc12 69923474 FYUIUXXNWTXCNH-CQSZACIVSA-N 310.361 1.977 0 40 DDAB O=C(NC[C@@]1(O)CCSC1)c1cccc(-n2cccn2)c1 82966864 QCHMXMSLLWYYJK-HNNXBMFYSA-N 303.387 1.470 0 40 DDAB Cn1cc(CC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cn1 195569839 RTOBWJKSTVYJLJ-CYBMUJFWSA-N 311.744 1.605 0 40 DDAB CCOC[C@@H]1c2c(cnn2C)CCN1C(=O)c1cc(C)on1 96197743 BHWOLMVBUVWHNV-CYBMUJFWSA-N 304.350 1.493 0 40 DDAB c1cncc(O[C@H]2CO[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)c1 96218556 ADBODCDKPQXQIV-CVEARBPZSA-N 300.362 1.617 0 40 DDAB CNC(=O)c1cnc2n1CCN(C(=O)c1ccc(F)cc1)C2 96198626 IYOQVVIKFDTQLD-UHFFFAOYSA-N 302.309 1.038 0 40 DDAB C[C@@H](C(=O)Nc1nnn[nH]1)c1ccc(C[C@H]2CCCC2=O)cc1 95479914 TXVHZVJHBCFMLT-ZWNOBZJWSA-N 313.361 1.854 0 40 DDAB COCCS(=O)(=O)Nc1cccc(Cn2nc(C)cc2C)c1 96414231 RTWCAZGGTSEGPH-UHFFFAOYSA-N 323.418 1.936 0 40 DDAB CC(C)NC[C@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 96112777 UPJDHFWRGASJQM-NSHDSACASA-N 323.418 1.509 0 40 DDAB biogenic,in-vitro O=C(CCc1nc[nH]n1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331508516 KPUDMXIGASOPPD-ZWNOBZJWSA-N 322.315 1.350 0 40 DDAB COCCN1CCC2(CCN(Cc3c(C)noc3C)CC2)C1=O 96046796 FPWJATNITSUFMC-UHFFFAOYSA-N 321.421 1.752 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccoc3)CC2)C1=O 96157770 ZSMARJPZJYGISX-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB Cc1ccc(CC(=O)N2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)cc1 96200181 NTDNIKLOKDSGJH-DLBZAZTESA-N 313.401 1.476 0 40 DDAB Cc1cccnc1NC(=O)[C@H]1CCCN(CCn2cncn2)C1 96452000 YTEJBDLNOJJWAY-AWEZNQCLSA-N 314.393 1.332 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96219005 HMTLMWNTBXPAKR-GOEBONIOSA-N 302.378 1.599 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2cc(F)ccc2C)[C@H](C)C1 96492145 LGTVDFGXUBLZIG-CYBMUJFWSA-N 322.380 1.844 0 40 DDAB Cc1cc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(C)o1 96413107 BJEBFCUTCMXUSI-PWSUYJOCSA-N 314.407 1.613 0 40 DDAB C[C@H]1C[C@@H](Nc2cnn(CC(=O)N3CCOCC3)c2)CC[C@H]1C 97095176 HUDZUIDOBRFBPG-ILXRZTDVSA-N 320.437 1.979 0 40 DDAB O=C(CNS(=O)(=O)c1ccccc1)NC1CCCCCC1 243167601 JSXPZTUECHWLCF-UHFFFAOYSA-N 310.419 1.804 0 40 DDAB Oc1cc(C[C@@H]2COCCN(Cc3ccsc3)C2)ncn1 257297693 RIMWTSPDLZZTEM-ZDUSSCGKSA-N 305.403 1.935 0 40 DDAB O=C(CC1CCOCC1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257231063 GFBAPYMYASRFRR-JFIYKMOQSA-N 324.465 1.687 0 40 DDAB CCn1nccc1-c1nccnc1[C@H]1CCCN1S(C)(=O)=O 257250399 JMIZJYASMGUBLW-GFCCVEGCSA-N 321.406 1.457 0 40 DDAB CCOC(=O)[C@@H]1CCc2[nH]nc(I)c2C1 253533884 VLZJFPQLQQEBNJ-ZCFIWIBFSA-N 320.130 1.682 0 40 DDAB CN(C)C[C@@H]1CN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CCO1 70015909 LWLMTXNLGSOAEY-ZACQAIPSSA-N 323.481 1.430 0 40 DDAB CCCn1cc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cn1 257284703 PDWXGMDOJOSRCX-IAGOWNOFSA-N 301.390 1.917 0 40 DDAB Cc1c(CCC(=O)N2CCO[C@@H](c3ccncc3)C2)cnn1C 257290235 QCCUVOFDQXDACC-MRXNPFEDSA-N 314.389 1.656 0 40 DDAB O=S(=O)(N1CCCC1)N1CCC[C@@H](Cc2ccccn2)C1 257227898 FRLKDYMDLWAWAZ-AWEZNQCLSA-N 309.435 1.677 0 40 DDAB Cc1cc([C@H]2CN(C(=O)C3CCN(C)CC3)CCO2)nc(C)n1 257292879 QNIBAVAYGFHJTJ-MRXNPFEDSA-N 318.421 1.335 0 40 DDAB CC(C)(C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1)n1cncn1 257309742 UCFQKGFMIBMRNA-GFCCVEGCSA-N 302.382 1.218 0 40 DDAB CC(C)(C(=O)N1CCO[C@@](C)(C(N)=O)C1)c1cccc(F)c1 257262103 LKAMINRJEYPHQQ-MRXNPFEDSA-N 308.353 1.206 0 40 DDAB Cn1nccc1C(=O)N1CCOC[C@H](Cc2cccc(F)c2)C1 257329180 XIVLNWBGMLPVMG-CQSZACIVSA-N 317.364 1.891 0 40 DDAB Cc1ccccc1-n1nc(C(=O)O)c(N2CCN(C)CC2)n1 256048436 SYWCHHMTLDWWMQ-UHFFFAOYSA-N 301.350 1.026 0 40 DDAB Cc1nc(N)cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 257253671 JZUMDYAUXSSDOS-AWEZNQCLSA-N 318.402 1.893 0 40 DDAB CCOc1nc(C)ccc1C(=O)N1CCOC[C@@]12CCOC2 282187185 RVDDHBIZMQYBDD-INIZCTEOSA-N 306.362 1.420 0 40 DDAB O=C(NCc1cn(-c2ccncc2)nn1)OCc1cccnc1 390830582 LZMCSJUTVLORQH-UHFFFAOYSA-N 310.317 1.484 0 40 DDAB O=C(C1CCC1)N1Cc2ccnn2[C@H](C(=O)N2CCCC2)C1 575404801 OPDAQFRFEHRMTO-AWEZNQCLSA-N 302.378 1.189 0 40 DDAB Cc1nc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)c2c(C)csc2n1 662898587 UZULAPLXXZYWNL-AEJSXWLSSA-N 307.375 1.944 0 40 DDAB COCCCN1CCCN(C(=O)NCCc2ccccn2)CC1 71913586 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Cc1ccccc1C[C@]1(CO)CN(Cc2cnn(C)c2)CCO1 643914152 MOJASECOEZHSHH-GOSISDBHSA-N 315.417 1.535 0 40 DDAB O=C(NC1CC1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 10327264 RHEYKDDWFXVHMW-UHFFFAOYSA-N 307.781 1.267 0 40 DDAB O=S(=O)(Cc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 253404309 QYDUWDUVWWFWMI-ILXRZTDVSA-N 311.403 1.443 0 40 DDAB O=C(C1CCOCC1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605216 HXDNFMPTHLDYLM-GFCCVEGCSA-N 311.769 1.536 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@]1(O)CCCc2occc21 1888843963 IGXRTYXCFDPJHZ-MRXNPFEDSA-N 304.346 1.767 0 40 DDAB Cc1nn(CC(=O)Nc2nncs2)c(=O)c2ccccc12 21342878 GOYJFKQDRYCSQJ-UHFFFAOYSA-N 301.331 1.195 0 40 DDAB CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2586051 NLEKRIPRBRHEPC-AWEZNQCLSA-N 322.361 1.672 0 40 DDAB Cc1nc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)cs1 2055732562 ORBBXVCOJMFAIT-JTQLQIEISA-N 320.418 1.788 0 40 DDAB O=C(NCc1cn(-c2ccsc2)nn1)NC1CCOCC1 575618039 HBDOBMBCOQDXKG-UHFFFAOYSA-N 307.379 1.307 0 40 DDAB Cc1cccc2sc(N3CC(C(=O)N4CCOCC4)C3)nc12 2298055758 WBEGBLWQNNXYLY-UHFFFAOYSA-N 317.414 1.900 0 40 DDAB CSCC[C@](C)(O)CNS(=O)(=O)CCc1ccccc1 75157546 FHSIUSLGRRTIGV-AWEZNQCLSA-N 317.476 1.653 0 40 DDAB Cn1nnnc1SCCC(=O)Nc1nc2ccccc2s1 10861589 OYXBNTQHANWXIE-UHFFFAOYSA-N 320.403 1.941 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)N[C@H]1COc2ccccc2C1 40105341 FZDAKZWUKDGDOQ-TZMCWYRMSA-N 310.419 1.699 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCO1 40479685 UMXBCOZDDHOCCK-VIFPVBQESA-N 317.794 1.604 0 40 DDAB CCn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2sccc21 40786515 PVWQDHQLKHREQI-SECBINFHSA-N 312.416 1.640 0 40 DDAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)N(C)C)CC1 40520428 HMIWDKDZORRTGR-NSHDSACASA-N 309.414 1.727 0 40 DDAB COCC(=O)N1CCN(Cc2ccc(F)c3cccnc23)CC1 51914950 RVULPIDPJJXCNH-UHFFFAOYSA-N 317.364 1.665 0 40 DDAB CCc1cc(NC[C@@](C)(CC)N2CCOCC2)n2ncnc2n1 52037026 VOIWNEWSORIKOE-MRXNPFEDSA-N 318.425 1.600 0 40 DDAB NC(=O)COc1cccc(NC(=O)CCN2CCSC2=O)c1 32907765 ZMUDFTHMXXOFPA-UHFFFAOYSA-N 323.374 1.048 0 40 DDAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1N 32945167 MQWMIZZAZOXNLT-UHFFFAOYSA-N 305.407 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322.453 1.315 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)NCCn2ccnn2)C12CCCCC2 104392157 QRVWQYMWBWIYCO-KGLIPLIRSA-N 321.425 1.705 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2CCCS2(=O)=O)c1 23076363 YWFOPKXGHXDBGW-AWEZNQCLSA-N 324.402 1.135 0 40 DDAB CCn1nccc1CNC(=O)c1nn2cccnc2c1Cl 2793880 KABRHLFHBKDFNO-UHFFFAOYSA-N 304.741 1.529 0 40 DDAB CCN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccc(C)cc1C 54351140 BVRYZBVSMBAIQQ-OAHLLOKOSA-N 317.433 1.915 0 40 DDAB C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C[C@H]1O 89405546 MXBBKAYIIRYEHA-IINYFYTJSA-N 321.352 1.198 0 40 DDAB COCCN(CCOC)C(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100867381 JVOOYPUZPHNMON-IRXDYDNUSA-N 311.422 1.893 0 40 DDAB C[C@H](NC(=O)Nc1ccncc1)c1ccc(S(N)(=O)=O)cc1 43160317 ZSZDCCOOIBLYCO-JTQLQIEISA-N 320.374 1.612 0 40 DDAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2nnn[nH]2)c1 55368654 ZWAVDXRBBSJTND-LBPRGKRZSA-N 303.366 1.333 0 40 DDAB COc1cccc(Oc2ccc(CNS(C)(=O)=O)cn2)c1 56096568 BAMLIBBQYVBKAI-UHFFFAOYSA-N 308.359 1.932 0 40 DDAB C[C@H]1CCc2sc(C(=O)N3CCO[C@H](C(=O)O)C3)cc2C1 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CN1CCO[C@@H](C(=O)NCc2cn(C)nc2-c2ccccc2)C1 96008189 AGJISDAJTUFUOX-OAHLLOKOSA-N 314.389 1.034 0 40 DDAB CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 96009706 UJUSIFSNVDMQBB-DZGCQCFKSA-N 309.454 1.480 0 40 DDAB CC(C)CC(=O)Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12 9319945 PSAFAMGGMRJINY-UHFFFAOYSA-N 301.306 1.662 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2cnn3c(C)cc(C)nc23)C1 71827117 KEYLMYBWGHGUPS-CYBMUJFWSA-N 302.378 1.987 0 40 DDAB Cc1ccc2ncn(C[C@H](O)CN3CCC(C)CC3)c(=O)c2c1 71825111 TWJOOBZJPHKOLS-OAHLLOKOSA-N 315.417 1.798 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12 71830154 FHAMCYWKXYROKF-SWLSCSKDSA-N 311.385 1.890 0 40 DDAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCCCC1 71888533 NKBXEULHNGEFCJ-NSHDSACASA-N 300.362 1.694 0 40 DDAB CCO[C@H]1C[C@@H]1C(=O)NCC1(N2CCCCC2)CCOCC1 71896786 UECKXYLDHNCSPR-GJZGRUSLSA-N 310.438 1.563 0 40 DDAB CCc1ccsc1C(=O)N1CCC[C@@H](N2CCNC2=O)C1 71841649 HJHFBCOBDBSFQR-GFCCVEGCSA-N 307.419 1.940 0 40 DDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N=c1cc[nH]cc1 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CNC(=O)c1cccc(NC[C@H]2CN(CC(C)C)CCO2)n1 84544282 CBUZOJYEUKSZJR-ZDUSSCGKSA-N 306.410 1.210 0 40 DDAB O=S(=O)(c1c[nH]cn1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 95433316 YETRDBKUBWKWIH-KGLIPLIRSA-N 321.402 1.687 0 40 DDAB CCc1c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cnn1CC(C)C 95439569 MMKIWBLZVQZCFA-QWHCGFSZSA-N 320.437 1.875 0 40 DDAB CN1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccccc3)C2)C1 95427251 UAOBEZBQYQKMSR-HOTGVXAUSA-N 303.406 1.420 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1nccnc1N 88282296 XBJKBGOZLIMPIF-ZDUSSCGKSA-N 311.389 1.930 0 40 DDAB Cc1cnc(NC2CCN(S(=O)(=O)CC(C)C)CC2)nc1 95990702 ZUNRGCCVFWHFHX-UHFFFAOYSA-N 312.439 1.647 0 40 DDAB Cc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1F 26505291 GVOQARWMFYFMJD-MNOVXSKESA-N 300.380 1.788 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccccc2N)C1 38541212 RPSOEEVYCCKIDJ-DOMZBBRYSA-N 320.437 1.868 0 40 DDAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(N(C)C)cc1 38718064 RAIGDAPTDVXRLG-UHFFFAOYSA-N 307.394 1.622 0 40 DDAB CC(C)c1nnc(CNC(=O)c2cccc3c2OCCO3)n1C 183503115 KRPIHMJTQYLQOU-UHFFFAOYSA-N 316.361 1.640 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccccc23)C1 77140289 QBJSSMJDYCXIHK-QWRGUYRKSA-N 321.402 1.649 0 40 DDAB COC(=O)CCN(Cc1cn2ccccc2n1)C[C@H]1CCCO1 79354548 IPNOAJANWIGNQC-OAHLLOKOSA-N 317.389 1.878 0 40 DDAB Cc1nc([C@H]2CCN(CC(=O)NCc3sccc3C)C2)n[nH]1 563942372 BUSOOVSBZNXALA-LBPRGKRZSA-N 319.434 1.589 0 40 DDAB CC(C)n1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cn1 72239312 BQAOPYIZEJOIIZ-UHFFFAOYSA-N 323.374 1.671 0 40 DDAB NS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccccc1 217403726 ZWIJPPQKGPKOML-UHFFFAOYSA-N 306.343 1.644 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71288042 WYCDMNNQVICBOG-GHMZBOCLSA-N 306.318 1.089 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2ccon2)[C@@H]1c1ccc(F)cc1 72242245 JKZLWYVHMCZCHJ-FZMZJTMJSA-N 303.293 1.972 0 40 DDAB C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1c1ccccc1 74030613 AWSLQWIXBYFGIZ-TZMCWYRMSA-N 324.384 1.841 0 40 DDAB CCOC(OCC)c1nc[nH]c(=O)c1I 225735483 AWWIYXFSKGGJRZ-UHFFFAOYSA-N 324.118 1.446 0 40 DDAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(C=O)CC1 44902089 IDLIKMLOVINJBM-CQSZACIVSA-N 304.390 1.878 0 40 DDAB CCc1nc(C)cc(Sc2nnnn2C2CCOCC2)n1 225820191 UPORDGWVVWMHNU-UHFFFAOYSA-N 306.395 1.837 0 40 DDAB CCC(=O)C1(C(=O)N[C@H]2COc3cc(OC)ccc3C2)CC1 573071653 NFPKWTBPERIOAN-GFCCVEGCSA-N 303.358 1.874 0 40 DDAB CCN1CCN([C@@H](C)CNS(=O)(=O)CC2CCCC2)CC1 195576933 BRIVTPZZPOPYOD-AWEZNQCLSA-N 317.499 1.122 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)NCc1ccc(C)o1 41123904 XSPBFICSWXOPKH-UHFFFAOYSA-N 301.350 1.779 0 40 DDAB O=C(COCC1CC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 96455998 XQQQKFKEYUSFSY-CQSZACIVSA-N 322.792 1.988 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96038849 WSPUDFBCAGPNGS-BFHYXJOUSA-N 321.446 1.506 0 40 DDAB Cc1cnc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)c2ccco2)C3)cn1 96249236 WTCFLWLDIKFEIX-BDJLRTHQSA-N 312.329 1.023 0 40 DDAB CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCOCC1 96117416 TYIIOBRZAVDHGW-UHFFFAOYSA-N 301.346 1.459 0 40 DDAB CC(C)NC(=O)[C@H]1CN(CC2CCOCC2)CC12CCOCC2 96052114 TXGLDTYUMTYXEH-MRXNPFEDSA-N 324.465 1.666 0 40 DDAB CC(C)CNC(=O)C1=NO[C@@]2(CCN(Cc3ccoc3)C2)C1 96225441 QIPFOWVQPSVNNK-INIZCTEOSA-N 305.378 1.773 0 40 DDAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCOc1ccccc1 96041951 PMEBSVMRZBMKJJ-YQQAZPJKSA-N 305.374 1.860 0 40 DDAB COC[C@H]1CN(C(=O)c2cc(C)nc(C)c2)Cc2cncn21 247913997 YXMDZICFOUUHGN-OAHLLOKOSA-N 300.362 1.738 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257230263 GBMXHYBMGNGTNM-CQSZACIVSA-N 317.393 1.211 0 40 DDAB CN(C)Cc1cnc([C@@H]2CN(Cc3ccccn3)CCO2)[nH]1 257316294 VEZDJMIWSYJNGB-HNNXBMFYSA-N 301.394 1.440 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ncccc1C 257342320 ZOCYQIQNCMRTLO-KRWDZBQOSA-N 311.389 1.417 0 40 DDAB CN1CCN(C(=O)c2csc3c2CCCC3)C[C@@H](C(N)=O)C1 257262721 LMOHVWILZFJULQ-NSHDSACASA-N 321.446 1.116 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ncc(OC)cn1 283874533 IKPODSXJATZOCQ-SNVBAGLBSA-N 317.353 1.296 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 585111746 AHRHJWVBLQNQAL-CYBMUJFWSA-N 312.439 1.120 0 40 DDAB Cc1cc(OCc2cc(=O)n(C)c(=O)n2C)cc(C)c1Cl 47355291 XLDKPODXAVKKFY-UHFFFAOYSA-N 308.765 1.933 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)Nc1cc(C2CC2)n[nH]1 58153534 JFOMWWCDAUBSIS-UHFFFAOYSA-N 324.344 1.421 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NC(C1CC1)C1CC1 55455181 ZOIUKKCVYSIEJF-UHFFFAOYSA-N 312.373 1.486 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1nncs1 72253575 MFXRHIARWUYTLT-NSHDSACASA-N 320.422 1.664 0 40 DDAB CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC(N2CCCC2=O)CC1 74759367 YCHKYYKGSRFSDO-GJZGRUSLSA-N 323.437 1.740 0 40 DDAB Cc1cccnc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 84247956 WFZONOMCGYARIE-PBHICJAKSA-N 324.384 1.621 0 40 DDAB COc1ncc(Cl)c(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 95970973 PGBVWWOWQOLNGP-RKDXNWHRSA-N 319.814 1.906 0 40 DDAB O=C(NCCS(=O)(=O)O)Nc1cccc(C(F)(F)F)c1 5568881 SXWKACYZXIELLL-UHFFFAOYSA-N 312.269 1.715 0 40 DDAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1ccn(C)n1 12145006 FPPZELYRZUNSMK-AWEZNQCLSA-N 312.377 1.619 0 40 DDAB COC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)c1ccc(F)cc1 15676571 WHRAADZMZBNMBH-ZDUSSCGKSA-N 317.320 1.299 0 40 DDAB biogenic,in-vitro C[C@@H](CN(C)C)Nc1nc(Cc2ccccc2F)cc(=O)[nH]1 19455945 WUTIREDPPVMDDE-NSHDSACASA-N 304.369 1.862 0 40 DDAB CN(C)c1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)nn1 1889145767 LOVMZMINWXOORA-UHFFFAOYSA-N 324.392 1.141 0 40 DDAB C[C@H](NC(=O)c1ccsc1)c1ccc(S(N)(=O)=O)cc1 23445972 VUEDLBIZYYQYOS-VIFPVBQESA-N 310.400 1.887 0 40 DDAB O=C1C[C@H](c2ccc(O)cc2)c2c(n3ccsc3nc2=O)N1 4772340 FWAQDOHXRHEKEK-SNVBAGLBSA-N 313.338 1.936 0 40 DDAB CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2OCC)CC1 9070086 JSOARBGFEASYRG-UHFFFAOYSA-N 323.393 1.717 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2onc(CN(C)C)c2C1 2055730177 IFAREYVZGSFEKF-LLVKDONJSA-N 318.377 1.628 0 40 DDAB Cc1nnc2c(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)nccn12 2298047674 KJHAPNMLDORWNU-GFCCVEGCSA-N 316.409 1.564 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)N1CCN(c2nccs2)CC1 43007817 IRIJGNPMCNIEIZ-VIFPVBQESA-N 323.340 1.759 0 40 DDAB COc1cc(NC(=O)CC(C)=O)ccc1NC(=O)CC(C)=O 3152454 BFEVGMYTBNWWML-UHFFFAOYSA-N 306.318 1.530 0 40 DDAB COC(=O)c1ccc(CNC(=O)[C@H](NC(C)=O)C(C)C)cc1 7984220 XLVQLWQCLWQFGM-CQSZACIVSA-N 306.362 1.250 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@H](C)c3ccccc3)C[C@@]23C=C[C@H]1O3 100634750 KNDMWRNUGYJRIY-YYZLIPTLSA-N 313.353 1.703 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC2CC2)C(C)C)c1 26520637 XYKUCXFFHCDNPE-HNNXBMFYSA-N 320.389 1.737 0 40 DDAB COC(=O)c1cc(F)ccc1Cn1ncc2c1C[C@@H](O)CC2 95941878 UTNRJZLCHJMLMF-ZDUSSCGKSA-N 304.321 1.707 0 40 DDAB O=C(O)[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 62119341 MRBNUPHDOKMNJF-SNVBAGLBSA-N 312.163 1.925 0 40 DDAB O=C(Cn1ncc(-c2ccccc2)nc1=O)Nc1ccccc1 44803934 MCDGFXHFXMMYPP-UHFFFAOYSA-N 306.325 1.944 0 40 DDAB O=C(c1ccncn1)N1CCC2(CC(Nc3ncccn3)C2)C1 108528904 IDRCOIOMQCDZNU-UHFFFAOYSA-N 310.361 1.373 0 40 DDAB O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccncc1 9573761 NMHRASYBWYZEOY-UHFFFAOYSA-N 316.386 1.746 0 40 DDAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)no1 44916594 NDLFHBOHRJZDCB-VIFPVBQESA-N 319.283 1.352 0 40 DDAB CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N(C)C 27949065 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CCOC[C@@H]1C[C@@H]2OCCN(C(=O)NCc3cccnc3)[C@@H]2C1 107804283 ZIERZGHKTACEPT-XHSDSOJGSA-N 319.405 1.807 0 40 DDAB CCCNC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 12359703 KUIWVWYXRSCIRZ-UHFFFAOYSA-N 300.399 1.929 0 40 DDAB O=S1(=O)N=C(NCc2ccc3c(c2)OCO3)c2ccccc21 3433382 NFEUPWYBUZNKTL-UHFFFAOYSA-N 316.338 1.654 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600975 ROELHVQTEMQUJJ-KRWDZBQOSA-N 315.373 1.296 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)c2nccs2)C1 49103226 USOHIVDURPMIHW-GMTAPVOTSA-N 316.448 1.810 0 40 DDAB Clc1cnc(NCCNc2nnnn2-c2ccccc2)nc1 95412786 HRPJUSHOTBQUJS-UHFFFAOYSA-N 316.756 1.630 0 40 DDAB C[C@]1(NC(=S)Nc2ccc(O)cc2)CCS(=O)(=O)C1 4124036 REIAOXJGGCYICQ-LBPRGKRZSA-N 300.405 1.256 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 6084588 JKVZPNPDUCWIKM-JTQLQIEISA-N 319.386 1.068 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NCC[C@H](O)c2ccccc2)C1 95433289 BJTPJFIZKIFHQT-HIFRSBDPSA-N 312.435 1.676 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1 6127538 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308.407 1.941 0 40 DDAB COc1nn(C)cc1C(=O)Nc1nnc(-c2cc(C)oc2C)o1 56907263 MMHIGLZYBVWJRW-UHFFFAOYSA-N 317.305 1.941 0 40 DDAB Nc1ccc(C(=O)NCCSCCN2CCOCC2)cc1 31912467 IXRGAEZDRPGIMQ-UHFFFAOYSA-N 309.435 1.064 0 40 DDAB Cn1nc(C(F)(F)F)cc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553527514 GIZQHVCTBUKCOL-UFBFGSQYSA-N 317.315 1.072 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)cc1F 77940102 BMUQFWJAGRSZAM-TVQRCGJNSA-N 312.316 1.571 0 40 DDAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CC(N)=O)C1 72385014 NPTOTDJPFYFFBY-SNVBAGLBSA-N 317.414 1.536 0 40 DDAB O=C1NC2(CCN(C(=O)c3cc[nH]n3)CC2)Oc2ccccc21 72347632 XHXJTDHYGABAOY-UHFFFAOYSA-N 312.329 1.164 0 40 DDAB CCN(CCNS(=O)(=O)N(CC)CC)c1cccc(C)c1 32825831 JZYFYMUIABRFAE-UHFFFAOYSA-N 313.467 1.998 0 40 DDAB Cc1cc(C(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)no1 75155414 PDQSBCAXBIAYGO-HNNXBMFYSA-N 304.302 1.349 0 40 DDAB COc1ccc(N2C(=O)N[C@@H](CCC(=O)O)C2=O)cc1Cl 218713031 OMYKZIWRXOWXBP-VIFPVBQESA-N 312.709 1.638 0 40 DDAB NC(=O)[C@H](NCC(=O)Nc1cccc(F)c1)c1ccc(F)cc1 66940399 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309.360 1.185 0 40 DDAB CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1sc(C)nc1C 287400521 DPZNCRBAKIGDNM-NXEZZACHSA-N 318.420 1.634 0 40 DDAB Cn1c(=O)c2c(ncn2Cc2cc3ccccc3o2)n(C)c1=O 390833870 OFXKEXYONRRBEQ-UHFFFAOYSA-N 310.313 1.228 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575405264 XWQRTLSGZGLJFD-AWEZNQCLSA-N 322.430 1.721 0 40 DDAB Cc1n[nH]c(C)c1C(=O)NCc1nc(C2CCOCC2)no1 575609103 YFJYWVYWIDYSQF-UHFFFAOYSA-N 305.338 1.234 0 40 DDAB O=C(C1CC(O)C1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 585099996 HLCWKNXFBFUCTD-SLTAFYQDSA-N 308.422 1.003 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1cnn(C2CCCC2)c1 585292046 WGIUQIWKNJRSPR-ZACQAIPSSA-N 323.437 1.859 0 40 DDAB CCCNC(=O)C1=NO[C@@]2(CCCN(c3ccncn3)C2)C1 585101259 SEOYXPQWQDADDE-HNNXBMFYSA-N 303.366 1.118 0 40 DDAB CO[C@@]1(CCC(N)=O)CCCN(Cc2ccc(C(=O)O)cc2)C1 585277034 JKGFZPYKKVICLE-QGZVFWFLSA-N 320.389 1.631 0 40 DDAB O=C(Cc1cccnc1)N1CCC[C@H](COc2ncccn2)C1 1775995233 JHUBANDLHGMOAF-HNNXBMFYSA-N 312.373 1.732 0 40 DDAB 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Cc1cc(C)cc(C(=O)NCC(=O)NCCCn2cccn2)c1 30169472 PEALAHZJGANBHG-UHFFFAOYSA-N 314.389 1.436 0 40 DDAB CC[C@H]1CN(C(=O)CCc2c(C)nc3ncnn3c2C)CCO1 30855285 VNQBPHOSXPKLRW-ZDUSSCGKSA-N 317.393 1.311 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(OCc2noc(C)n2)cc1 40489302 CMXYIBFHDAVHTM-SNVBAGLBSA-N 305.334 1.722 0 40 DDAB CSc1nc(NCCO)c2c3c(sc2n1)CN(C)CC3 20440518 LSKYLCAHIFRIBY-UHFFFAOYSA-N 310.448 1.805 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1cccn1 40522840 CPRFPSFIXBAHTF-CQSZACIVSA-N 315.373 1.962 0 40 DDAB CC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 40512926 AYNQNPHTDKYRNM-HIFRSBDPSA-N 317.389 1.068 0 40 DDAB O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCO1 32741138 KZCNEXKVUBFNKD-INIZCTEOSA-N 304.390 1.314 0 40 DDAB NC(=O)NC(=O)COC(=O)c1csc(-c2ccsc2)n1 32776542 BHGZPMCTDFLYJD-UHFFFAOYSA-N 311.344 1.223 0 40 DDAB CCCN(C(=O)CN1CCN(CCO)CC1)C1=CCCCC1 52876579 OYKVLVYUWFOFFA-UHFFFAOYSA-N 309.454 1.293 0 40 DDAB CCN1CCN(CCCNC(=O)c2ccc(N(C)C)cc2)CC1 41567742 XCOQXJDTTMUMBI-UHFFFAOYSA-N 318.465 1.510 0 40 DDAB O=C(NCCCn1ccnc1)N1CCN(c2nccs2)CC1 42895427 XQAFUGGJHZUWAY-UHFFFAOYSA-N 320.422 1.262 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)c(O)c1 58417608 UQQLQXRUCBYGLJ-UHFFFAOYSA-N 310.350 1.655 0 40 DDAB Cc1nn(CN2CCNC(=O)C2)c(=S)n1Cc1ccccc1 58593233 ATOAHJYEPXJBJH-UHFFFAOYSA-N 317.418 1.160 0 40 DDAB CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 796620 XUJFAORBKMPYEP-AWEZNQCLSA-N 324.446 1.860 0 40 DDAB C[C@@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1ccccn1 4058095 ZFVOVNIIJDQTRE-LDYMZIIASA-N 300.430 1.475 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 4226907 AJKOHZLVHPKDEN-ZJUUUORDSA-N 302.808 1.994 0 40 DDAB COc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 4562627 SVCNGGFWTNNUJG-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4893716 ZGEIDPUBZRITMP-DNIRFERGSA-N 300.314 1.247 0 40 DDAB CN1C(=O)S/C(=C\c2cn(CC(N)=O)c3ccccc23)C1=O 4931717 WQCBFJOCPQFOJD-SDQBBNPISA-N 315.354 1.793 0 40 DDAB CCSCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)O 6001391 KRDDESRSBIWBHU-LBPRGKRZSA-N 317.432 1.702 0 40 DDAB COc1ccc(NC(=O)CSC2=NC(=O)C[C@@H](C)N2)cc1 6175565 RDPLPTIFTRFFRQ-SECBINFHSA-N 307.375 1.631 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 6376452 PVDDDKDMLWYAPW-UHFFFAOYSA-N 312.391 1.031 0 40 DDAB CCn1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)c(C)n1 20606583 RLRZSHNXBLMYJR-GFCCVEGCSA-N 302.338 1.265 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1Cl 101347679 WULAOJJCOXOFHW-SNVBAGLBSA-N 306.709 1.924 0 40 DDAB Cc1nsc(N2CCCN([C@H](C)C(=O)NC3CC3)CC2)n1 107507285 WFSCQMFHZLARPX-SNVBAGLBSA-N 309.439 1.026 0 40 DDAB CCN1CCC[C@H]1CNc1c(NCc2ccccn2)c(=O)c1=O 101699084 MZIAOHYDJYUIHI-ZDUSSCGKSA-N 314.389 1.186 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 32469312 CIVXBGOFJFLPFQ-NSHDSACASA-N 300.380 1.481 0 40 DDAB CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 17635687 XLGVGHASZREYEO-NSHDSACASA-N 313.375 1.011 0 40 DDAB C[C@@H]1NC(C(=O)NCc2ccccn2)=NN(c2ccccc2)C1=O 32646546 IGSWPDBUEHSKHV-LBPRGKRZSA-N 323.356 1.036 0 40 DDAB CCC(=O)/N=c1\sc2cc(OC)ccc2n1CC(=O)OC 100877079 MOACSWLVALWTFP-PFONDFGASA-N 308.359 1.722 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCc2ccncc2)CC1 69773112 ZHZNLBJJUUSDTD-INIZCTEOSA-N 319.449 1.565 0 40 DDAB Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)on1 21329460 SJMQXJMTIOTSNI-MRXNPFEDSA-N 314.389 1.327 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 8078559 VYOJUDRHAAJQQJ-SECBINFHSA-N 304.268 1.531 0 40 DDAB Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccccc2)cc1 8476287 NSYNEGMZVIJGDX-UHFFFAOYSA-N 322.368 1.965 0 40 DDAB Cn1ccc(NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36618954 ACJHRVHYETYDAT-UHFFFAOYSA-N 319.328 1.777 0 40 DDAB C[C@H](Cn1cccn1)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69771565 QKYCLBRWVHOZOT-HUUCEWRRSA-N 322.453 1.070 0 40 DDAB Cn1c(S[C@@H]2CCCCNC2=O)nc2ccsc2c1=O 32871745 FJPDQPXNISMFPV-SECBINFHSA-N 309.416 1.756 0 40 DDAB Cc1nc(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)no1 69738897 SEPWOOCHYPZFTG-CJNGLKHVSA-N 316.405 1.618 0 40 DDAB O=C(NCCc1ccccc1F)[C@H]1CC(=O)N(CC2CC2)C1 32816223 MCEAYPNKMVTAQQ-AWEZNQCLSA-N 304.365 1.743 0 40 DDAB Cc1cc(C)c(NC(=O)CNC(=O)CCCNC(N)=O)c(C)c1 33028200 SKTBVQOSXOSNQJ-UHFFFAOYSA-N 320.393 1.115 0 40 DDAB Cc1noc(C)c1C(=O)N1CCN(Cc2ccccn2)CC1 33237837 NGJJPDNZGUTCON-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB CCCCN(CC(N)=O)Cc1cc(=O)n2cc(C)ccc2n1 45805039 FWFKXENLUXTWPJ-UHFFFAOYSA-N 302.378 1.090 0 40 DDAB c1cnnc(N2CCC[C@@H](NCc3nnc(C4CC4)o3)C2)c1 69877451 NPYTURJHWQBMRA-GFCCVEGCSA-N 300.366 1.496 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O 2622798 AXZGAFRBEXIXNS-UHFFFAOYSA-N 305.378 1.935 0 40 DDAB Nn1c(S[C@H]2CCCCNC2=O)nnc1C1CCCCC1 22535515 NDRDLIVVIGIZSE-NSHDSACASA-N 309.439 1.800 0 40 DDAB C[C@H](Sc1nncn1C)C(=O)NCc1ccc2c(c1)OCO2 2652849 WZUDRHZLZPZJRU-VIFPVBQESA-N 320.374 1.341 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 2633113 AZQPEORHLLSTHM-JTQLQIEISA-N 310.785 1.045 0 40 DDAB COCCN1CCCC2(CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1=O 108532569 UMCOUGYZDONUTK-KGLIPLIRSA-N 308.422 1.520 0 40 DDAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1nc[nH]n1 23141045 YAHZUTZACHORCH-UHFFFAOYSA-N 313.365 1.583 0 40 DDAB CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)NCc1ccccc1 107205348 UKSWQXPYTSLTMO-HUUCEWRRSA-N 301.390 1.981 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7377006 OQCDMJRDIGYXQP-QMMMGPOBSA-N 313.297 1.898 0 40 DDAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 100279605 KEYVVBUHVHXCLC-QDEZUTFSSA-N 317.341 1.513 0 40 DDAB Cc1ccc(C(=O)NCc2cccnc2-n2cccn2)c(=O)[nH]1 75118477 NCOIBMNKTBGHTO-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB CC(C)n1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)cn1 75105813 GTDNAFDOTHVXLG-YPMHNXCESA-N 308.382 1.070 0 40 DDAB O=C(CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)NC1CC1 57137864 BRHFUSNGZMRUBJ-OAHLLOKOSA-N 315.417 1.293 0 40 DDAB COc1ccccc1CN(C)Cc1nc(N)nc(N(C)C)n1 27348500 FOHJFGCEZKTWJE-UHFFFAOYSA-N 302.382 1.160 0 40 DDAB CS(=O)(=O)CCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 58167897 MSPSBUPVCFMRFF-HNNXBMFYSA-N 324.446 1.059 0 40 DDAB CNC(=O)NC(=O)CN(Cc1ccc(OC)cc1OC)C1CC1 27589775 GOJQHEBAMXIWTK-UHFFFAOYSA-N 321.377 1.124 0 40 DDAB CC(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 44891271 DKFXWFYOAZNUAO-CYBMUJFWSA-N 324.450 1.225 0 40 DDAB O=c1oc(-c2cccs2)nn1C[C@H](O)COCc1ccco1 44833947 AYWBBKGNCCKBQN-JTQLQIEISA-N 322.342 1.736 0 40 DDAB CCn1cnnc1CNC(=O)NCc1cc(OC)cc(OC)c1 58264433 XXAYFQXJKQBPLP-UHFFFAOYSA-N 319.365 1.315 0 40 DDAB CN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@@H](O)CN1 37798607 MTWWKOXMEVFHAP-VXGBXAGGSA-N 313.195 1.130 0 40 DDAB C[C@@H](NC(=O)CN1C=Nc2ccccc2S1(=O)=O)C1CC1 58293028 BBAKSSLACAWOPD-SNVBAGLBSA-N 307.375 1.265 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 58282262 XESYHICUPJZDRF-NEPJUHHUSA-N 300.399 1.785 0 40 DDAB C[C@H]1CCCN(CCCCNS(=O)(=O)c2cnn(C)c2)C1 44937555 HOQGMEXEPAZJSA-ZDUSSCGKSA-N 314.455 1.211 0 40 DDAB CC(=O)N[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)C(C)C 12757181 XMBWGLXKVYUTIT-CJNGLKHVSA-N 320.389 1.446 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 48263335 XODCOKVFWWNGOF-UONOGXRCSA-N 320.389 1.513 0 40 DDAB Cc1nc(NC(=O)[C@@H]2CCC(=O)NC2)sc1-c1ccccn1 48271950 AJULPHLOPHKWRI-SNVBAGLBSA-N 316.386 1.978 0 40 DDAB COc1ccccc1CNC(=O)COc1ccccc1C(N)=O 3532710 XTFDEUPGYSWUHU-UHFFFAOYSA-N 314.341 1.489 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1 13170719 WXUFRYLAZYBVSN-AWEZNQCLSA-N 303.358 1.877 0 40 DDAB Cc1cccc(C)c1NC(=O)N1[C@H](C(=O)O)SC[C@H]1C(=O)O 4106716 QAKGSPPUDHAFJM-ONGXEEELSA-N 324.358 1.748 0 40 DDAB Cc1ccccc1C1(CNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 64312943 LNKWCLUCHCMUGA-HNNXBMFYSA-N 316.401 1.438 0 40 DDAB C[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 70040953 HOYQYLFPOCWMTM-AWEZNQCLSA-N 302.418 1.243 0 40 DDAB Cc1csc([C@@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1 65473667 RNUBIJVBHSIPJC-NSHDSACASA-N 322.390 1.760 0 40 DDAB CCc1c(C(=O)Nc2ccc[nH]c2=O)cnn1-c1ccccn1 65540569 BVRYIPRTLMDTKX-UHFFFAOYSA-N 309.329 1.770 0 40 DDAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(S(N)(=O)=O)cc1 17116779 ANMVUGWIGJGTTQ-SNVBAGLBSA-N 311.407 1.637 0 40 DDAB COC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 69570626 GMVYECAPCUVMEA-CYBMUJFWSA-N 319.361 1.362 0 40 DDAB CC(C)[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC(N)=O 5863821 FEMSFALQHMQIAO-VIFPVBQESA-N 323.378 1.387 0 40 DDAB Cn1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 91762623 XSLZMTFTLVMJSG-RISCZKNCSA-N 307.300 1.646 0 40 DDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(C)cc1C 69657707 MJACRXRYFDQMIN-HNNXBMFYSA-N 313.357 1.631 0 40 DDAB CCN1CCC(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)CC1 69662784 NBVBKWJVFPHTAD-MRXNPFEDSA-N 319.453 1.158 0 40 DDAB c1ccc(-n2nnnc2CN2CCC[C@H]2Cn2cccn2)cc1 69951916 LZDLFWIDLLPZEI-HNNXBMFYSA-N 309.377 1.523 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCCN(c2cccnn2)CC1 69951554 VTKSYKIKQCJDNU-UHFFFAOYSA-N 315.377 1.363 0 40 DDAB COC(=O)c1ccc2nc(NC(=S)NC(C)=O)sc2c1 20412469 FJKBGKDZNAXFMB-UHFFFAOYSA-N 309.372 1.916 0 40 DDAB Cc1cc(C(=O)N2CCN(CCc3cccs3)CC2)n(C)n1 71823390 UASGIJWSFGLXLV-UHFFFAOYSA-N 318.446 1.791 0 40 DDAB O=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCCC1 71800153 LVZISRWYOXATLV-LBPRGKRZSA-N 305.309 1.263 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cn(-c3ccccc3)nn1)C2 71864847 SXASHFGUKHTAMP-UHFFFAOYSA-N 323.360 1.077 0 40 DDAB Cc1cccc(N2CCN(CCN3CCOC3=O)[C@H](C)C2)n1 71908413 NNTXGLIMAUXRLC-CQSZACIVSA-N 304.394 1.353 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 75602674 VVASMBNWSLQBTE-ZDUSSCGKSA-N 303.366 1.977 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3nccs3)C2)C[C@@H]1N(C)C 76051083 MJGFKGJJGSLZHH-MCIONIFRSA-N 322.478 1.768 0 40 DDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)C2)N1 72295706 HTLNKUFSKGYCMJ-MQIPJXDCSA-N 305.378 1.013 0 40 DDAB COCCN1CC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 72271492 OJXGJGSQFGVINO-AWEZNQCLSA-N 323.441 1.923 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)c1cccc2c1OCCO2 72283155 XLXYEKNJOQTQCZ-UHFFFAOYSA-N 305.330 1.975 0 40 DDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 72298523 MYFNZTSUQROHRM-GDBMZVCRSA-N 311.385 1.935 0 40 DDAB Cc1cccnc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 84247954 WFZONOMCGYARIE-RHSMWYFYSA-N 324.384 1.621 0 40 DDAB COc1ccc(OC)c(CN(CCO)C(=O)c2cscn2)c1 78647029 POGOWQONRJELHR-UHFFFAOYSA-N 322.386 1.795 0 40 DDAB CCc1cc(N2CCC(NCc3nccn3C)CC2)ncn1 78996657 QQWLWEHYYSTBBN-UHFFFAOYSA-N 300.410 1.531 0 40 DDAB CC(C)c1nc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)no1 84631072 AHXJXXPUBWVNEC-OAHLLOKOSA-N 321.381 1.098 0 40 DDAB Cc1cc(C(=O)OCCCNS(C)(=O)=O)c(C)n1C(C)C 95377410 DMSQRQRUKOFKOU-UHFFFAOYSA-N 316.423 1.782 0 40 DDAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cccn1C 95435714 NNFDUSKLADCRSY-KGLIPLIRSA-N 309.410 1.749 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1N(C)C 95448561 BXCZCLPOXUYCNL-UHFFFAOYSA-N 300.424 1.452 0 40 DDAB O=C(N[C@H]1COc2ccccc21)N1CC[C@@](O)(C(F)(F)F)C1 98016391 FCQZIEMQLFVADV-GWCFXTLKSA-N 316.279 1.829 0 40 DDAB Cc1nnsc1-c1nnc2sc(-c3cnccn3)nn12 79481712 XZIGKFMHMTUJCB-UHFFFAOYSA-N 302.348 1.470 0 40 DDAB COCc1csc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)n1 95975263 GNWMFEREIGVYHP-SECBINFHSA-N 307.379 1.692 0 40 DDAB CN1C[C@@H](C(=O)NCc2ccnc(N3CCCCC3)c2)CC1=O 95950656 VDYZAPZHTYSONF-AWEZNQCLSA-N 316.405 1.166 0 40 DDAB C[C@@H]1CN(c2ccccc2CN[C@@H]2CC(=O)N(C)C2)C[C@@H](C)O1 88698048 BVYWWZGMHCGPBE-IIAWOOMASA-N 317.433 1.621 0 40 DDAB CC(C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 33768536 SDIDDIRZIWJEPA-LLVKDONJSA-N 316.398 1.655 0 40 DDAB COCC(C)(C)N1CCN([C@@H](C(=O)O)c2ccsc2)CC1 517161329 SNGPRSJOOMWKMT-CYBMUJFWSA-N 312.435 1.916 0 40 DDAB NC(=O)COc1ccccc1CNc1cccc(C(=O)O)c1 408612590 SVDKVYRJWHVZSN-UHFFFAOYSA-N 300.314 1.861 0 40 DDAB Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1-n1cnnn1 40510334 IZHXAZXGSIINHM-TXEJJXNPSA-N 301.350 1.220 0 40 DDAB Cc1c(C(=O)NCCCC(N)=O)cnn1-c1ccc(Cl)cc1 40523716 IMQOKUBGVCIZJK-UHFFFAOYSA-N 320.780 1.829 0 40 DDAB CCC(=O)N[C@@H]1CCCc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 72397047 KIISGLPRGQSRPU-YRGRVCCFSA-N 318.421 1.994 0 40 DDAB O=C(CCCn1cnc2ccccc2c1=O)NCCn1cccc1 71286027 USCZINZEYIGLHW-UHFFFAOYSA-N 324.384 1.795 0 40 DDAB CC(=O)Nc1cccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c1 75770687 CZKMUVDXRNDPBX-GUYCJALGSA-N 315.417 1.945 0 40 DDAB CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CN 79392869 XXRRULAMYMJVDE-UHFFFAOYSA-N 319.405 1.452 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)cc1OC 70077069 CQAPLVDBTHMURS-GHMZBOCLSA-N 314.407 1.075 0 40 DDAB O=C(CN1CCc2sccc2C1)NCCCn1ccnc1 79351814 SPIWBEMNRVNJLD-UHFFFAOYSA-N 304.419 1.509 0 40 DDAB Cc1csc(C(C)(C)NCC(=O)NCc2ccccn2)n1 72663051 BEJQEEFXNRKVFV-UHFFFAOYSA-N 304.419 1.988 0 40 DDAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cnn(-c2ccccc2)n1 44755212 QPAPPZCIYHJZSP-UHFFFAOYSA-N 321.296 1.954 0 40 DDAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccncc1)C2 225494710 JYFJWDDGRPTHTE-KRWDZBQOSA-N 312.417 1.988 0 40 DDAB biogenic,in-vitro CCN1CCC[C@@H](NS(=O)(=O)C2=Cc3ccccc3OC2)C1 191907819 SXCAFPBKFTYHGR-CQSZACIVSA-N 322.430 1.824 0 40 DDAB C[C@H]1CN(CCN(C)C(=O)NCCc2cccnc2)C[C@@H](C)O1 194831146 USVWNEHTGMPUJO-GASCZTMLSA-N 320.437 1.375 0 40 DDAB COC(=O)c1ccc(N2C[C@@H](C(=O)OC)CC2=O)c(Cl)c1 45953351 YATMKOXPORPFQR-VIFPVBQESA-N 311.721 1.653 0 40 DDAB O=C(O)c1cc(=O)n(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1 222650048 KDZGZCDIKBPMBQ-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB CCOCc1nnc2n1CCN(Cc1c(C)noc1C)CC2 96259193 YPKLULSMIWOFMV-UHFFFAOYSA-N 305.382 1.478 0 40 DDAB CO[C@@H](C(=O)NC[C@@H](C)N1CCN(C)CC1)c1ccccc1 96403430 VXOGGOYDEQVCLP-GDBMZVCRSA-N 305.422 1.126 0 40 DDAB Cc1ccc(C)c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@H](C)CO2)c1 96426743 JIEHDYDSFPJHRP-FVQBIDKESA-N 316.401 1.870 0 40 DDAB Nc1nccnc1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 96460471 USJKKFIXYACOBD-CQSZACIVSA-N 312.373 1.533 0 40 DDAB CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 96388601 RRILKGRALNTHCA-ZDUSSCGKSA-N 313.354 1.225 0 40 DDAB COc1ccc([C@H](CO)N(C)C(=O)NCc2ccn(C)c2)cc1 95449848 JIDMNACMMGMMAB-INIZCTEOSA-N 317.389 1.909 0 40 DDAB O=C(O)CN1CCC[C@@]2(COCCN(Cc3ccccn3)C2)C1 96229373 NCSAJUYJYVNHRZ-QGZVFWFLSA-N 319.405 1.081 0 40 DDAB COC[C@@H]1CN(Cc2cccnc2OC)Cc2cn(C)nc21 96197967 LKKCYUXBUMEEBH-AWEZNQCLSA-N 302.378 1.570 0 40 DDAB COc1ccsc1C(=O)NC[C@H](O)CN1CCC(C)CC1 96407857 JGKFUUXOIAALAF-LBPRGKRZSA-N 312.435 1.579 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)n1nc(-c2cccs2)oc1=O 96494601 XYASJGDYDLEEJH-NSHDSACASA-N 319.317 1.779 0 40 DDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1 96041554 KAVBPSBQFJJDQS-SQWLQELKSA-N 308.378 1.116 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3scnc3C)C[C@@H]21 96043467 IZBZASIUIJIVHJ-JHJVBQTASA-N 309.435 1.425 0 40 DDAB NC(=O)[C@@H]1CN(Cc2cc(F)cc(Br)c2)CCO1 96451985 QBBOUOHQSAVVIW-NSHDSACASA-N 317.158 1.274 0 40 DDAB O=C(NCc1ccccc1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 96045674 JANDCOPNNPPRHJ-DLBZAZTESA-N 311.385 1.969 0 40 DDAB Cc1ccc(C(=O)N2CC[C@]3(CCN3c3ncccn3)C2)cn1 96228702 YIIHQPYUYZCRSJ-KRWDZBQOSA-N 309.373 1.675 0 40 DDAB CN(C)c1ccnc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 97101800 LCRMRCYAEDCQEQ-CQSZACIVSA-N 318.421 1.702 0 40 DDAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@H]1CCN(C)C1=O 96440691 WLWZUIGOHCMFFL-CABCVRRESA-N 303.406 1.846 0 40 DDAB O=C(C1CC1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247874370 NFARBZLSMAUTJI-OAHLLOKOSA-N 309.406 1.600 0 40 DDAB Cc1ccc([C@@H]2C[C@H]2C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)s1 245338685 NVAHRGXAARJJMX-UTUOFQBUSA-N 318.398 1.566 0 40 DDAB COc1ccc(Cl)cc1NC(=O)NC[C@]1(O)CCOC1 179373130 GLPBPIRCXOLNLR-CYBMUJFWSA-N 300.742 1.622 0 40 DDAB Oc1cc(C[C@@H]2COCCN(Cc3ncccc3F)C2)ncn1 257314599 UXRBCPQRVBFVCZ-LBPRGKRZSA-N 318.352 1.407 0 40 DDAB Cn1cc(CN2CCO[C@@H](CCc3ccnc(N)c3)C2)cn1 257256819 KNAPLDCTYRYKFZ-HNNXBMFYSA-N 301.394 1.231 0 40 DDAB CN(C(=O)Cc1cccc(F)c1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257265633 LZPQHUNOPPNVOT-JFIYKMOQSA-N 320.408 1.814 0 40 DDAB CNC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)N1 257291388 QGSYTJGGQUOJHN-RDBSUJKOSA-N 319.405 1.729 0 40 DDAB Cc1c(CNCc2ccnn2CCF)cnn1CC(F)F 256054017 UQFKGKIVWCMWJE-UHFFFAOYSA-N 301.316 1.912 0 40 DDAB c1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 97971529 IILFKRPBRVPXCP-HZPDHXFCSA-N 311.389 1.209 0 40 DDAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)C2CC2)C1 96025387 VDMLZTNRSXUCAF-CYBMUJFWSA-N 315.416 1.027 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ccnc(C)c2)C1 585277141 KKUMQIBMMDGMMY-QGZVFWFLSA-N 319.405 1.537 0 40 DDAB Cc1cc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)on1 585288409 ZYRFUBQPQFXUKW-BLLLJJGKSA-N 321.377 1.401 0 40 DDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCC3CCCCC3)[C@H]3CO[C@@H]2O3)c1 952844815 LCRRNNTZLNNFGR-OVYGPGRDSA-N 321.421 1.387 0 40 DDAB biogenic,in-vitro Cn1cc(-c2nc(C(=O)NCC[C@H]3CCCO3)cs2)cn1 58268688 CQWKZZDAKDFNNP-LLVKDONJSA-N 306.391 1.843 0 40 DDAB O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCC2(CC1)CNC2 1548567098 DFWPLZBLBCJFBM-HZPDHXFCSA-N 316.401 1.355 0 40 DDAB Cc1ccc(C)c(OCCCn2nc(C(N)=O)ccc2=O)c1 77935926 FAWJLXVPXFKLOI-UHFFFAOYSA-N 301.346 1.428 0 40 DDAB Cc1cc(C)nc(NCCC(=O)N(C)CCN2CCCCC2)n1 19656370 ZEYKGJNXEDACAC-UHFFFAOYSA-N 319.453 1.840 0 40 DDAB Cc1nc(C)c(C(=O)N2CCC(CCN3CCOCC3)CC2)o1 19657743 VOBPZWVBFGTNSC-UHFFFAOYSA-N 321.421 1.866 0 40 DDAB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 7071455 JHNFYGBPCXOLHL-VPMLRQHESA-N 317.345 1.974 0 40 DDAB CC(C)c1nc(N2CCN(C(=O)CC3CC3)CC2)nc(O)c1F 1888834179 YNFOQHYYPXSJHF-UHFFFAOYSA-N 322.384 1.893 0 40 DDAB O=C(NC1CN(c2cnccn2)C1)c1cc(F)cc(Cl)c1 1888856848 MKYJZRJRUGEBHA-UHFFFAOYSA-N 306.728 1.888 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@@H]3C2)nn1 1888906816 IGBARBOUMDXWAG-TXEJJXNPSA-N 322.376 1.024 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 31949828 AIUBLNLCTRQUDL-NSHDSACASA-N 304.346 1.107 0 40 DDAB O=C(N[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CC1 1058097079 GNVIOQJGMDEPND-SNVBAGLBSA-N 314.311 1.990 0 40 DDAB COC(=O)c1ccccc1C(=O)N1CC(Nc2ncccn2)C1 238830445 FUBLSBOXDJTYDD-UHFFFAOYSA-N 312.329 1.200 0 40 DDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3cc[nH]c3)CC2)N1 1565551369 DBJWUGQTHFFQMK-OAHLLOKOSA-N 324.384 1.688 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2CCN1c1cccnc1 1565546209 WRBXMPMKJLGYFY-JSGCOSHPSA-N 317.364 1.785 0 40 DDAB Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)O)[nH]c32)cc1 429063 ITYGZXMYYMNEBY-UHFFFAOYSA-N 316.342 1.594 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(OC)cc1 10255914 ZTTQGRHFWHHKNS-QGZVFWFLSA-N 324.380 1.942 0 40 DDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 2055837444 AOPISYPUQPJLNT-ZDUSSCGKSA-N 314.451 1.198 0 40 DDAB COC(=O)[C@H]1[C@@H]2NC(=S)N[C@]1(C)Oc1c(OC)cccc12 100150609 DLAIRTVEVSFSPC-GPCCPHFNSA-N 308.359 1.112 0 40 DDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)Cc2cccnc2)n[nH]1 225556643 DGKGECNLVCIZFA-CQSZACIVSA-N 313.361 1.200 0 40 DDAB COC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C)C3 150471 HYWCPXNSJSJZKQ-JGVFFNPUSA-N 307.375 1.712 0 40 DDAB CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 9754106 KGPPJWBLVARAEZ-CYBMUJFWSA-N 310.419 1.683 0 40 DDAB Cc1cccc(N2CCN(C(=O)NCCn3ccnc3)CC2)c1 43311698 HSMWJANTFAXOKC-UHFFFAOYSA-N 313.405 1.723 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(CCOC[C@@H]3CCCO3)C2)no1 78891027 BNTPMARJCZNVGB-GJZGRUSLSA-N 324.425 1.080 0 40 DDAB CN(C(=O)Cn1nnc2ccccc2c1=O)C1CCCCC1 1328142 IBAZUFXFKLLGJY-UHFFFAOYSA-N 300.362 1.583 0 40 DDAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(O)cc1 2121449 SABJRAZCMVQGKK-YVSFHVDLSA-N 304.342 1.610 0 40 DDAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(c2ccccn2)C1)C1CC1 55720117 CZCOXXXJJMZJIT-JKSUJKDBSA-N 316.449 1.754 0 40 DDAB CCc1noc(C)c1C(=O)N1CCC(N2CCNC2=O)CC1 55786068 NGZPHGNHJBSFLQ-UHFFFAOYSA-N 306.366 1.175 0 40 DDAB C[C@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1 25639331 FGQSCEVOCRPGCC-GFCCVEGCSA-N 311.389 1.235 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)cs1 6680690 KEIOJQGPGDSNJX-UHFFFAOYSA-N 316.448 1.918 0 40 DDAB CCN1CCN(C(=O)CN2C(=O)C(C)(C)c3ccccc32)CC1 57355627 QALQLBAHHOKKPX-UHFFFAOYSA-N 315.417 1.475 0 40 DDAB CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CCC(=O)NC1 48197006 ISTVDFNLHCEERT-MRVPVSSYSA-N 315.167 1.527 0 40 DDAB Cn1cc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cn1 107226346 AOGCGJQCMYWLGZ-ZBFHGGJFSA-N 314.393 1.056 0 40 DDAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](C)C(N)=O 48112061 OTWGEKGDHTWGHN-VIFPVBQESA-N 321.377 1.785 0 40 DDAB O=C(CN1C(=O)CSC1=O)Nc1cc(Cl)ccc1O 8391203 RRQAKMWVRXVVGJ-UHFFFAOYSA-N 300.723 1.680 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 27395080 WBUUFOHFEVZFRF-ZDUSSCGKSA-N 315.373 1.634 0 40 DDAB O=C(COc1cccc(Cl)c1)NC[C@H]1CCS(=O)(=O)C1 44719536 WZJUSFLHZLIPTI-SNVBAGLBSA-N 317.794 1.270 0 40 DDAB Cc1csc(N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)n1 58127843 ZDBAGGFKNMLAKE-GFCCVEGCSA-N 305.407 1.558 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC(NC(=O)c2ccncc2)CC1 58215894 DQPYVQOTRLLWGW-LBPRGKRZSA-N 305.378 1.227 0 40 DDAB CCn1ccc(=O)nc1SCC(=O)NCc1ccccc1F 58283023 ZZECEXRYAQETSG-UHFFFAOYSA-N 321.377 1.811 0 40 DDAB O=C(CNS(=O)(=O)Cc1ccc(F)cc1)Nc1ccccc1 36101848 IPTOXJDNAKRWPA-UHFFFAOYSA-N 322.361 1.884 0 40 DDAB Cc1cc([C@@H]2CCCN2C[C@H](O)COC[C@@H]2CCCO2)on1 44975747 KUDDLAJGWWUYBN-KKUMJFAQSA-N 310.394 1.676 0 40 DDAB C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)[C@H]1CCCO1 44908244 NMZYTEMWHBZHRX-ZWNOBZJWSA-N 301.346 1.231 0 40 DDAB CCN(CC)C(=O)C1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 58380133 DGPHIZWOBKICQG-CYBMUJFWSA-N 310.438 1.909 0 40 DDAB COC(=O)CCCCCCNC(=O)c1ccc2[nH]nnc2c1 28410267 BXFFLFCMXKAMGJ-UHFFFAOYSA-N 304.350 1.811 0 40 DDAB C[C@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(N)=O 11498232 JQEHJGFQUVCQOB-VIFPVBQESA-N 306.343 1.753 0 40 DDAB COc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1C 11545444 SWXFEQSLGVWASN-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB Cc1c(Br)c(C(=O)N[C@H](C)[C@H]2CCCO2)nn1C 2777535 MJLJDINTWNGMNN-VXNVDRBHSA-N 316.199 1.788 0 40 DDAB CCN(CC)c1ccc(N2C(=O)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 54005054 RKRJQOPSYMMUFX-ZIAGYGMSSA-N 323.418 1.228 0 40 DDAB O=C(NCCc1ccc(O)cc1)c1nc(-c2ccccn2)no1 12389248 MBGXAHHAMCNUGA-UHFFFAOYSA-N 310.313 1.810 0 40 DDAB CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 12406579 FNVFCHRVHWCDGX-INIZCTEOSA-N 311.385 1.947 0 40 DDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 57355493 GYDSPNSISQUZGT-RDJZCZTQSA-N 315.417 1.370 0 40 DDAB c1ccc2[nH]c(C3CCN(c4ccc5nnnn5n4)CC3)nc2c1 12532399 GJGHPWOKVRNFAA-UHFFFAOYSA-N 320.360 1.780 0 40 DDAB CC(=O)N1CCC(NC(=O)/C=C/c2cnc3ccccc3n2)CC1 48235938 CRXSHWTZTKDUTC-VOTSOKGWSA-N 324.384 1.770 0 40 DDAB COC(=O)Cc1c(C)nc2nc(-c3cccc(C)n3)nn2c1O 48310348 QACVHPYFGZMWSG-UHFFFAOYSA-N 313.317 1.224 0 40 DDAB CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(SC)cc1 3406775 QAYSHMQXYJFOOH-RMKNXTFCSA-N 322.386 1.811 0 40 DDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CC3)C2=O)cc1 3461570 UXDIIKJVPYSKGS-INIZCTEOSA-N 301.346 1.041 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccc(OC(F)(F)F)cc1 12924508 IANDITDTHHXOSA-QMMMGPOBSA-N 319.283 1.600 0 40 DDAB Cc1cccc(C)c1NC(=O)CSc1nnc(CCN)o1 5045510 KLVVMZLXXNQUCY-UHFFFAOYSA-N 306.391 1.918 0 40 DDAB CCCCn1nc(C(=O)OCC(=O)N[C@H](C)CCC)ccc1=O 39572037 BLFBHLSGSVKOED-GFCCVEGCSA-N 323.393 1.505 0 40 DDAB O=C(N[C@@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O)C1CC1 5210040 LCBHEFMUCNBQRV-CYBMUJFWSA-N 324.262 1.887 0 40 DDAB CC(C)N1Cc2ncnn2C[C@H](C(=O)NCc2ccccc2)C1 306128874 HNINMWBDYTWAPL-OAHLLOKOSA-N 313.405 1.435 0 40 DDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(Cl)cc1F 65501743 PHGBNOZBYTXEHW-MRVPVSSYSA-N 318.761 1.438 0 40 DDAB Cc1ccccc1OCCN(C)C(=O)[C@@H](C)N1CCN(C)CC1 65554555 KMSCTWBMWYYJCH-MRXNPFEDSA-N 319.449 1.468 0 40 DDAB Cc1ccc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c(=O)[nH]1 65549426 GOZMDZAACNZWIU-LBPRGKRZSA-N 311.341 1.539 0 40 DDAB COc1ccc([C@H]2NC(=O)[C@H]3CCCCN23)c(OC)c1OC 65552624 DRVFOFVIVASHDT-ABAIWWIYSA-N 306.362 1.695 0 40 DDAB CONC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 14111336 FPTRFISDOZNISM-UHFFFAOYSA-N 310.309 1.774 0 40 DDAB Nc1nccnc1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 96477706 XTFDBCJJKIJSHT-JTQLQIEISA-N 310.279 1.962 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1cccc(N2CCCC2=O)c1 8097340 LTDRBJHFSVLIDX-GFCCVEGCSA-N 317.389 1.458 0 40 DDAB Cc1ccc2c(CN3CCCS(=O)(=O)CC3)cc(=O)oc2c1 71893663 XJJMWBWPRZAKRE-UHFFFAOYSA-N 321.398 1.722 0 40 DDAB Cc1cccc2nc(CSc3nnnn3C3CC3)cc(=O)n12 8230795 ZIQDUGNPJZCUOX-UHFFFAOYSA-N 314.374 1.617 0 40 DDAB CN(C[C@@H]1CN(Cc2ccccc2F)CCO1)c1cccnn1 83859315 NNMWBLORYPDAGM-OAHLLOKOSA-N 316.380 1.953 0 40 DDAB Cc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccccc1F 17356449 OLUSPVFFUDPAIS-UHFFFAOYSA-N 301.321 1.916 0 40 DDAB C[C@H](OC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(N)=O 69628927 DHABUMHJNIKZKT-KBPBESRZSA-N 318.417 1.747 0 40 DDAB C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N2CCOCC2)C(=O)O1 72261183 DJEMEYVHQGSLQJ-AGIUHOORSA-N 310.419 1.415 0 40 DDAB C[C@H](O)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97081958 QJZPSLWRDWHLRH-CABZTGNLSA-N 303.280 1.986 0 40 DDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nccs1 72400847 ICXRJSQUAYSCIW-UHFFFAOYSA-N 316.342 1.506 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1csc(-c2ccsc2)n1 88374756 LBWJFZRHBJTVRJ-JTQLQIEISA-N 324.383 1.797 0 40 DDAB O=C(CCc1nncn1-c1ccccc1)Nc1ncccc1O 95962326 MSDCSFBHOSTMLM-UHFFFAOYSA-N 309.329 1.939 0 40 DDAB C[C@@](CO)(NC(=O)NCCc1ccc2c(c1)CCO2)C1CC1 95966596 XCWUQVQGFHEQBZ-KRWDZBQOSA-N 304.390 1.624 0 40 DDAB Cc1cc(N2CCCC[C@H]2CN2CCOCC2)n2ncnc2n1 89598842 PXHKHUYXJVXQIL-AWEZNQCLSA-N 316.409 1.124 0 40 DDAB CN1CCN(C2CCN(Cc3nnsc3Cl)CC2)C1=O 75131477 JFGPGBOQLUCIPC-UHFFFAOYSA-N 315.830 1.523 0 40 DDAB O=C(CC[C@@H]1CCCO1)N[C@H]1CCCN(c2cccnn2)C1 89794302 VMUNHHTWLQHJOB-KBPBESRZSA-N 304.394 1.521 0 40 DDAB O=C(C[C@@H]1COCCN1C(=O)CCn1cccn1)c1ccco1 89794335 DSGUQTBLCUQTCT-CYBMUJFWSA-N 317.345 1.367 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCCN(c2cccnn2)C1 89775018 QMVFURDDLCJHQJ-OAHLLOKOSA-N 314.364 1.943 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)c2cn3cccnc3n2)C12CCC2 89985944 PWUJIBVNEOTORY-CHWSQXEVSA-N 300.362 1.807 0 40 DDAB CCC(CC)[C@H](O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O 89943124 RVUNEIWSRXQRMI-GFCCVEGCSA-N 323.437 1.903 0 40 DDAB Cc1n[nH]c([C@H]2CN(C[C@](C)(O)c3ccccc3)CCO2)n1 76048228 MZABCTQHUKRTAC-ZBFHGGJFSA-N 302.378 1.394 0 40 DDAB CCc1nncn1CCNC(=O)N[C@H]1CCN(C2CCCC2)C1 76088184 VZGQUDKHCZCTCG-ZDUSSCGKSA-N 320.441 1.157 0 40 DDAB O=C(NC1CC1)c1nc2c(s1)C[C@@H](NC(=O)C1CC1)CC2 306130092 IVZULPMUGQBAFD-JTQLQIEISA-N 305.403 1.419 0 40 DDAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 409114434 JOQASJXSTMXLDO-UHFFFAOYSA-N 313.375 1.413 0 40 DDAB O=S(=O)(NC[C@H]1CNCCCO1)c1cc(F)cc(Cl)c1 518739592 MHWWHVKKHCCWBB-LLVKDONJSA-N 322.789 1.136 0 40 DDAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCOCC1 33428864 LWSSOCOEJDEUAG-CQSZACIVSA-N 319.384 1.989 0 40 DDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)CC1 72239747 KSIWKPJHCICIRM-AWEZNQCLSA-N 321.446 1.403 0 40 DDAB O=C(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCCCC1 32444775 JPRHMLBDWMNPNR-UHFFFAOYSA-N 314.382 1.258 0 40 DDAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1 217709574 PPWDBZRVQKGGIY-UHFFFAOYSA-N 320.370 1.905 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)N(CC)C(=O)CO2 227161918 CMGUDVNDOXTCQP-SNVBAGLBSA-N 312.391 1.509 0 40 DDAB O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cc[nH]n1 68147287 PRMJUUQUNWONQM-UHFFFAOYSA-N 324.337 1.341 0 40 DDAB O=C([C@@H]1CCCN1)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 195554629 IPDIYZKVICRARH-STQMWFEESA-N 309.797 1.857 0 40 DDAB Cc1ccc(-c2noc(CNC[C@H]3CN(C)CCO3)n2)cc1F 69665201 GDKIIPRTTZUHRV-ZDUSSCGKSA-N 320.368 1.604 0 40 DDAB CCS(=O)(=O)CCNC(=O)Nc1ccc(OC)cc1Cl 69659954 WPVJLETZTNQRSO-UHFFFAOYSA-N 320.798 1.905 0 40 DDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)on2)cc1 44873361 PTIXQHGCKGUUGE-UHFFFAOYSA-N 323.374 1.462 0 40 DDAB O=C(NCc1ccsc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 69665293 XZXVNRIVWFNZBL-BDAKNGLRSA-N 306.309 1.821 0 40 DDAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCc2[nH]cnc2C1 225515531 YIQVRIJCAVHHSX-NEPJUHHUSA-N 313.357 1.471 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1CCCN(C2CCOCC2)CC1 96415711 BPRLRUITIXDBDS-INIZCTEOSA-N 323.481 1.574 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@H](N)c1ccc(Br)cc1 96525169 GIERIORZEVCWSX-GHMZBOCLSA-N 322.224 1.245 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 96219010 HMTLMWNTBXPAKR-HOCLYGCPSA-N 302.378 1.599 0 40 DDAB C[C@@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C 96470395 MEJVHSNKAYYHBH-VIFPVBQESA-N 321.240 1.776 0 40 DDAB CCS(=O)(=O)C(Br)(Br)[C@@H](C)O 96520920 IPKVBZVYZXYXJY-SCSAIBSYSA-N 310.007 1.246 0 40 DDAB Cc1cc(C(=O)NCCC(=O)NCCc2ccccc2)n(C)n1 96192462 DDSNZXOFNSZYMA-UHFFFAOYSA-N 314.389 1.207 0 40 DDAB CC(=O)N1CCO[C@]2(CCCN(C(=O)c3ccccc3)C2)C1 96268760 NLODSGVTWPZPHS-QGZVFWFLSA-N 302.374 1.540 0 40 DDAB COCCC(=O)N1CCC2(CC1)C[C@H](c1ccncc1)C(=O)N2 96069660 XNVPPINWPINBDG-CQSZACIVSA-N 317.389 1.083 0 40 DDAB CCN(C[C@@H]1CCN(C(=O)c2cc[nH]n2)C1)CC(F)(F)F 96448336 MXVVCFCYHHIZIY-JTQLQIEISA-N 304.316 1.756 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1(CN)COC 242437508 CDXPMXLRYGCAKL-MCIONIFRSA-N 301.383 1.318 0 40 DDAB CCOC(=O)Nc1nnc(S[C@H]2CCCCNC2=O)s1 69972038 ZYTYBJLGRJJCQE-ZETCQYMHSA-N 316.408 1.867 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCCC[C@@H]3Cn3cccn3)c2n1 69966576 ZAHMZTZQPIISIC-CQSZACIVSA-N 324.388 1.929 0 40 DDAB Cc1nccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257237418 HGJVZRIMNYCUJQ-HNNXBMFYSA-N 319.386 1.547 0 40 DDAB COCC(=O)N1Cc2nccn2C[C@H]1c1ccccc1OC 257257810 KREJGUJKFYSWCJ-ZDUSSCGKSA-N 301.346 1.622 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccncc3)CCO2)n1 257283301 OXSFSOXICKCKSF-GFCCVEGCSA-N 300.318 1.099 0 40 DDAB O=C(Nc1c(F)cccc1F)C(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 252497819 QRHWJFFEWKVIBD-QISWUMQESA-N 324.327 1.427 0 40 DDAB O=C(CO)N1CCC2(CC1)CO[C@H](Cc1cccc(F)c1)C2 257232165 GJRKOHSABBUGHD-OAHLLOKOSA-N 307.365 1.758 0 40 DDAB Cc1cc(C)nc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 257219253 DGDSOFIFXBKGDQ-ZDUSSCGKSA-N 310.423 1.223 0 40 DDAB CN1C(=O)C2(CCN(CC(=O)O)CC2)C[C@H]1Cc1ccccc1 257312219 UMXKRLLPTCQCPA-OAHLLOKOSA-N 316.401 1.627 0 40 DDAB CC(=O)N[C@](C)(C(=O)N1CCC[C@H]1Cn1cccn1)C1CC1 70006683 HWJWAEJPUBSBGO-HOCLYGCPSA-N 304.394 1.179 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)c1 70004469 DMZVJCVSIQRTLI-CYBMUJFWSA-N 310.361 1.768 0 40 DDAB CCOc1ccc2[nH]c(C(=O)N[C@@H]3CC[C@@H](O)[C@@H]3O)c(C)c2c1 257280124 OJNNKXPTWHTYNQ-IIAWOOMASA-N 318.373 1.489 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)n1 257307158 SXLKPHNOOJKHHG-RDJZCZTQSA-N 304.438 1.975 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC(CO)CC3)cn2)n1 257303243 SGJHDCLNUDDEKK-UHFFFAOYSA-N 314.389 1.729 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCN3CCCCCC3)CCO2)n1 257290148 QBUGQDPBWFZZPM-HNNXBMFYSA-N 320.437 1.884 0 40 DDAB CCCC(=O)N1CC2(CC[C@@H](CNC(=O)CC3CC3)CO2)C1 575406425 PFADBQDBODJZHX-AWEZNQCLSA-N 308.422 1.710 0 40 DDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2cc(C3CC3)on2)C1 585276797 JEYZODCTANLVHB-MRXNPFEDSA-N 321.377 1.045 0 40 DDAB Cc1ccc(O)c(/C=C2\NC(=S)N(Cc3ccco3)C2=O)n1 585139760 XFIWCMFGIYGNCG-GHXNOFRVSA-N 315.354 1.946 0 40 DDAB CCn1cnnc1CNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 585141790 FWXBCXPMGAHYBD-QWHCGFSZSA-N 324.381 1.413 0 40 DDAB Cc1cc(N2CCO[C@@](CO)(Cc3ccccc3F)C2)ncn1 585277769 XTVITIVYLNOTMD-KRWDZBQOSA-N 317.364 1.735 0 40 DDAB O=C(O)C[C@@H]1CN(Cc2cnc[nH]2)CC[C@H]1Oc1cccnc1 585285706 MAAXIENCWQDRRL-IUODEOHRSA-N 316.361 1.549 0 40 DDAB COCCN1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 585112933 WWYUYCVAZDTLLA-LBPRGKRZSA-N 307.394 1.551 0 40 DDAB Cn1cc(CCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cn1 76044577 QGOZJJLHNGWGKR-CYBMUJFWSA-N 315.377 1.977 0 40 DDAB O=C(Nc1cc[nH]n1)c1ccc(S(=O)(=O)C(F)F)cc1 49450001 ZXZPBRBHQUBNDL-UHFFFAOYSA-N 301.274 1.658 0 40 DDAB CC(=O)Nc1nnc(SCC(=O)NCC2CCC2)s1 83815609 JGMBFSGXEDXXQK-UHFFFAOYSA-N 300.409 1.505 0 40 DDAB Cc1ncc(CN2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)s1 548350005 AYFPUEBZKVJDGK-GFCCVEGCSA-N 314.418 1.603 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3)no2)[C@H]1O 1615075559 IFCWIPRJEXRADT-IIAWOOMASA-N 316.357 1.952 0 40 DDAB CCOC(=O)c1ccc(Oc2nc(N)nc(N(C)C)n2)cc1 5051283 MFPJLOMIELMEOC-UHFFFAOYSA-N 303.322 1.489 0 40 DDAB O=C([C@H]1CCCO1)N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1 12115794 KMNQGDKOXNHDFP-CHWSQXEVSA-N 313.361 1.709 0 40 DDAB CC[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582763 VUNFPXCMQFVHQB-JTQLQIEISA-N 314.407 1.619 0 40 DDAB Cc1cccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C2=O)c1C 16899629 UEVMKVWSABEJEG-ZYHUDNBSSA-N 322.386 1.080 0 40 DDAB CCS(=O)(=O)N1CCC(c2[nH]ncc2-c2cc(C)no2)CC1 12087324 VUQDIAJZSUVWJJ-UHFFFAOYSA-N 324.406 1.902 0 40 DDAB COc1ccccc1CN1CC[C@@H](NCCCN(C)C)[C@H](O)C1 12146523 OTOOICUUDYHVET-IAGOWNOFSA-N 321.465 1.172 0 40 DDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCCCC1 23390241 CGGLVLXPMJJBPQ-GFCCVEGCSA-N 322.496 1.496 0 40 DDAB CCOCCCNC(=O)c1c(Br)cnn1CC 28575917 WNUWUQGZHDJVMT-UHFFFAOYSA-N 304.188 1.822 0 40 DDAB O=C(C[C@@H]1[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]21)Nc1cccnc1 1565556362 DWEYGNOYWFRVPJ-REBRKWNGSA-N 315.373 1.151 0 40 DDAB CN(C)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 12139985 VEVFRIQWRQCFSK-UHFFFAOYSA-N 309.325 1.889 0 40 DDAB Cc1cc(N2CC[C@@](F)(C(=O)Nc3cccnc3)C2)ncn1 2086861175 PXPJYFYJBLYSSD-HNNXBMFYSA-N 301.325 1.737 0 40 DDAB Cn1nc(C(=O)NCc2cc(-c3ccccc3)on2)ccc1=O 38752534 CUKOCRBINIIEIT-UHFFFAOYSA-N 310.313 1.365 0 40 DDAB C=CC(=O)N1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 585291063 IZIHHZOWBQHTRV-CQSZACIVSA-N 309.373 2.507 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 2298178993 MEDQDANERNMDAM-CABCVRRESA-N 319.453 1.277 0 40 DDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccc3c(c1)OCO3)C2 30391169 RYHILIPGQGAPPU-CYBMUJFWSA-N 311.341 1.801 0 40 DDAB Cc1ccc([C@H](CNC(=O)c2ccoc2)N2CCOCC2)o1 40489427 NXQNAADGGRBZPH-AWEZNQCLSA-N 304.346 1.984 0 40 DDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccnc1 40463038 NVGROPURDGDGOF-UHFFFAOYSA-N 316.361 1.665 0 40 DDAB CC(C)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 40475754 NGFPFOBMXMVDRY-UHFFFAOYSA-N 305.421 1.562 0 40 DDAB CN(C)C(=O)C1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1 40460671 VTVXJBFNDUYXLB-UHFFFAOYSA-N 314.389 1.223 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)CCc2ccco2)cc1 40498987 DLIZODDGXRGMQN-UHFFFAOYSA-N 322.386 1.437 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100546791 FQOJPAYLDFVNPE-XUXIUFHCSA-N 303.314 1.596 0 40 DDAB Cc1cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)sc1C 40512886 ODKIOXLVNDSJDR-UHFFFAOYSA-N 323.462 1.601 0 40 DDAB Cc1nnc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)s1 40526505 DMDPTCZXSGUWET-SNVBAGLBSA-N 314.317 1.980 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cc(-c2ccc(F)cc2)[nH]n1 40522069 WBSIEOREOADWPC-LBPRGKRZSA-N 316.336 1.614 0 40 DDAB Cc1ccccc1C[C@H](C)NC(=O)CN(CC(N)=O)C(C)C 51966826 VAYWOAOPTUGPCA-AWEZNQCLSA-N 305.422 1.238 0 40 DDAB CCn1nnc2cc(C(=O)NC3CCN(C(C)=O)CC3)ccc21 32748116 LISYLVBOZDCHRJ-UHFFFAOYSA-N 315.377 1.192 0 40 DDAB O=C(CCn1cncn1)NC[C@H](c1ccco1)N1CCCC1 41946360 FUQOFIPWOFNRAN-CYBMUJFWSA-N 303.366 1.215 0 40 DDAB Cc1cccc2cc(CNCCN3CCOCC3)c(=O)[nH]c12 22459614 NNXJDWCEGXIZTB-UHFFFAOYSA-N 301.390 1.258 0 40 DDAB Cc1nc(N2CCN(Cc3ccco3)CC2)c2cnn(C)c2n1 54045000 BWEJIJFENFFHBL-UHFFFAOYSA-N 312.377 1.587 0 40 DDAB CC(=O)c1cc(C(=O)N2CCN(c3nccs3)CC2)n(C)c1 54485497 MXDUGMILFOAYPK-UHFFFAOYSA-N 318.402 1.647 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 80624 IBKMWPLCFWCYMC-UHFFFAOYSA-N 322.361 1.618 0 40 DDAB C[C@@H](NCCn1cccn1)C(=O)N(C)Cc1cccc(F)c1 69841486 NLKUHOWSXGORLU-CYBMUJFWSA-N 304.369 1.659 0 40 DDAB COCCCNC(=O)CCc1nc(-c2cccc(OC)c2)no1 2218989 CFEBDDPZUVLNFC-UHFFFAOYSA-N 319.361 1.831 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)[nH]n1 40462426 MXTRQNYLOFQPIX-UHFFFAOYSA-N 301.302 1.161 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCc1ccco1 40516629 MCHIPNCKGCEDJH-GFCCVEGCSA-N 314.407 1.143 0 40 DDAB CC(=O)N[C@H]1[C@@H](O)O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@H]1O 4531082 DGWGXCQMDPSJJC-DBHDPKECSA-N 305.374 1.153 0 40 DDAB CCCn1nnnc1SCC(=O)Nc1ccc(OC)cc1 4882713 SFOBDVZTVLRASZ-UHFFFAOYSA-N 307.379 1.823 0 40 DDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)CC(=O)NC1CC1 7791875 AJKHCMKYKMBMDO-LBPRGKRZSA-N 321.396 1.083 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[nH]1 20728281 WECBDOYDTYYALJ-LLVKDONJSA-N 300.362 1.137 0 40 DDAB Cc1cccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)c1C 100855786 UEVMKVWSABEJEG-PWSUYJOCSA-N 322.386 1.080 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C3CCCC3)CC2)on1 45768774 HNSMRYFGLIIHJN-CYBMUJFWSA-N 306.410 1.870 0 40 DDAB Cc1noc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 69814257 RJQKRQBQIGNHLC-UHFFFAOYSA-N 317.345 1.743 0 40 DDAB O=C(NS(=O)(=O)C1=Cc2ccccc2CC1)[C@@H]1CCCOC1 102708846 YDQJLHDJBXNXMQ-CQSZACIVSA-N 321.398 1.846 0 40 DDAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)[C@H]1CCCO1 29958863 SDYHWDRJPMZIIP-IINYFYTJSA-N 301.346 1.149 0 40 DDAB O=S(=O)(CCOCCO)Cc1ccc(Cl)cc1Cl 60582337 NSPTYXXFNKYOJK-UHFFFAOYSA-N 313.202 1.917 0 40 DDAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)nn1 107200817 CVMXFSCPCSKFQT-QWHCGFSZSA-N 315.402 1.735 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2ccc(C)cn2)C1=O 42172508 GXGQDIDQYKGNCS-AWEZNQCLSA-N 322.390 1.234 0 40 DDAB COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)c(O)c1 60794689 ROPZIZDVRYIXJH-UHFFFAOYSA-N 304.346 1.095 0 40 DDAB COc1cc(CNC[C@@H]2CCN(C3CC3)C2)cc2c1OCO2 42229091 LFZLKXOKWPUIRR-LBPRGKRZSA-N 304.390 1.998 0 40 DDAB O=C(CN1CCC[C@H]1c1ccccc1)NCC(=O)N1CCCC1 42574631 DBAMZPPTBKRZOB-INIZCTEOSA-N 315.417 1.562 0 40 DDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@H]2c2ccccc2)N1 42659850 XJAOFNKUZNDTOW-STQMWFEESA-N 301.346 1.338 0 40 DDAB CNC(=O)c1ccc(CN(C(=O)c2cc(C)n[nH]2)C2CC2)cc1 54708950 BFRTZYNORXYBBL-UHFFFAOYSA-N 312.373 1.883 0 40 DDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1472296 YUBGCBIDDMVVOC-SSDOTTSWSA-N 309.796 1.887 0 40 DDAB CC(C)c1nc([C@H]2CCCN2CC(=O)NC[C@H]2CCOC2)no1 107047063 INTNUUIPFWLBAF-CHWSQXEVSA-N 322.409 1.483 0 40 DDAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCC(=O)NC1 47771360 VCSWHUCJVNKGFX-SNVBAGLBSA-N 303.387 1.781 0 40 DDAB C[C@]1(c2ccc(I)cc2)NC(=O)NC1=O 57218718 VDFVAOCDEKCSSY-SNVBAGLBSA-N 316.098 1.346 0 40 DDAB COc1cc(/C=C/C(=O)OCC(=O)N2CCCC2)ccc1O 3271040 PDSRNQCLGJURFS-FNORWQNLSA-N 305.330 1.580 0 40 DDAB COc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1 3275415 BAUAFQVRBMQDMK-UHFFFAOYSA-N 301.302 1.589 0 40 DDAB O=C(CSC1=NCCS1)NCc1ccc2c(c1)OCO2 3217744 LMBGVWLBWHHRMH-UHFFFAOYSA-N 310.400 1.868 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408588147 CQOFUEXWQCEELZ-QWRGUYRKSA-N 314.407 1.277 0 40 DDAB NS(=O)(=O)CCCSc1nc(-c2ccccc2F)n[nH]1 57742504 UBFUFOKVCYYUSS-UHFFFAOYSA-N 316.383 1.382 0 40 DDAB COc1ccccc1NC(=O)[C@H](C)N1CCCN(C(C)=O)CC1 27564742 JYAJCQBUBFJERZ-ZDUSSCGKSA-N 319.405 1.576 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)C3)sc2C1 44872560 RGLFPMJUMHXLCE-BDAKNGLRSA-N 314.432 1.641 0 40 DDAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[C@@H]1CCCO1 27894711 FZCUSVAOFDFYDX-CFVMTHIKSA-N 315.377 1.141 0 40 DDAB COCCn1nc(C)c(CNC[C@@H]2CNc3ccnn3C2)c1C 58369321 UUAOYIZVTYDJCG-CQSZACIVSA-N 318.425 1.174 0 40 DDAB COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 48291096 KEGXKHXRPLEGMX-UHFFFAOYSA-N 300.362 1.943 0 40 DDAB CC(C)[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C(=O)O 4083549 ANQAMOMJRWTUGO-STQMWFEESA-N 320.345 1.317 0 40 DDAB biogenic CCNC(=O)CNC(=O)COc1ccc(Cl)cc1Cl 8094124 DUCZYTAKRQDDPE-UHFFFAOYSA-N 305.161 1.625 0 40 DDAB Cn1cc(CN2CCCN(C(=O)C[C@H]3CCCO3)CC2)cn1 69458795 NIIQSUKZHGKXRK-OAHLLOKOSA-N 306.410 1.024 0 40 DDAB C[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)C1 6056014 QBCUWDCOHLGXRP-DOMZBBRYSA-N 319.357 1.628 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 70006357 QGFDUCFUXOZUKA-OAHLLOKOSA-N 310.825 1.798 0 40 DDAB CN(C)C[C@@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)CCO1 70016318 PTKINSJUXGQFGE-QGZVFWFLSA-N 318.396 1.774 0 40 DDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1nncn1C 65591846 WXCBGVARJNXDDK-SNVBAGLBSA-N 308.769 1.595 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccnc1 17168794 KDJDKWWUYSAHAD-UHFFFAOYSA-N 304.371 1.724 0 40 DDAB Cc1c([C@H](C)NC(=O)[C@H](C)NC(N)=O)cnn1-c1ccccc1 69563628 HNCULSQVTJNQPD-QWRGUYRKSA-N 315.377 1.415 0 40 DDAB O=C(NCc1ccccc1CO)c1c[nH]c2ccccc2c1=O 66049305 WRVVNGIZOGLXMS-UHFFFAOYSA-N 308.337 1.950 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)O 6737273 SFFPQAWXAZSPDO-UHFFFAOYSA-N 315.285 1.604 0 40 DDAB CCOc1ccc(S(=O)(=O)NCC(C)C)cc1NC(C)=O 4813754 WWEKQDIDGKGTRV-UHFFFAOYSA-N 314.407 1.978 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@H](O)c1ccc(F)cc1F)CC2 69952181 AVQWUGKAFZMDBC-RISCZKNCSA-N 308.332 1.503 0 40 DDAB NC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1 9515896 COEOJISVOFZIDF-CYBMUJFWSA-N 308.334 1.331 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(c3ccncc3)CC2)cn1 71841295 ZYXZTDXNHAHPOF-HZPDHXFCSA-N 311.389 1.267 0 40 DDAB CC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(C(N)=O)C2)cc1 96012614 JVNKNXNUWHINJQ-CYBMUJFWSA-N 304.350 1.554 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)o1 71826901 GQQHEUMJZFYJMR-GFCCVEGCSA-N 304.321 1.801 0 40 DDAB O=C(NC[C@H](O)Cc1ccccc1)c1cccc2c1OCCO2 71856874 PXJJXGALIYIURU-CQSZACIVSA-N 313.353 1.791 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 71847353 CAKPUPUDPHFLSA-XHDPSFHLSA-N 316.405 1.908 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3scnc3C)CC2)n1 71819945 SUDVLPQVLCQXJY-UHFFFAOYSA-N 319.390 1.213 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)c1 71865787 JZTTVFBBALWLOU-CYBMUJFWSA-N 317.393 1.181 0 40 DDAB O=C(CN1CCC[C@H](CO)C1)N(Cc1ccccc1)C1CC1 71916279 PBGSGGJOHXEIEE-INIZCTEOSA-N 302.418 1.882 0 40 DDAB O=C(NCc1ccc(-c2cccnc2)cc1)N[C@H]1CCCNC1=O 89794104 VAYQCNRTHCNLRZ-INIZCTEOSA-N 324.384 1.826 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CC3CCOCC3)C2)n1 72287132 SJMUYYYECJYDGI-OAHLLOKOSA-N 306.410 1.875 0 40 DDAB COc1ccc(CCNS(=O)(=O)N2CCC[C@@H](C)C2)cc1 28082911 JDRHTUYJTYJGAI-CYBMUJFWSA-N 312.435 1.804 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](C)n1cncn1 72234204 GVWUTHZAYMIICT-WDEREUQCSA-N 322.800 1.898 0 40 DDAB O=C1NC[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)N1 89826319 AUFPTGKHGXVNNV-MRXNPFEDSA-N 309.369 1.616 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)Nc2nnc(C)s2)no1 84280922 VDKOKAPWSNNPBX-SECBINFHSA-N 308.367 1.314 0 40 DDAB CC(C)(C)n1ncn(Cc2noc(C3CCOCC3)n2)c1=O 97378329 PPDGRQIUDGTJTM-UHFFFAOYSA-N 307.354 1.125 0 40 DDAB COc1ccc(NC(=O)NCCN(C)C)cc1OC(F)F 95460845 XJXBONUHJSQLRJ-UHFFFAOYSA-N 303.309 1.980 0 40 DDAB Cc1ccccc1[C@H](O)CNS(=O)(=O)N1CCC[C@H](C)C1 95433123 KEYRPXKRTXYXND-SWLSCSKDSA-N 312.435 1.595 0 40 DDAB C[C@H]1OCCN(C(=O)NCc2ccc(-n3ccnc3)nc2)[C@@H]1C 95421693 ISSIVQSZHCEIJV-CHWSQXEVSA-N 315.377 1.586 0 40 DDAB CC(C)[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1nnc2n1CCC2 95411269 ZXJKAYBLCQKVCJ-GXTWGEPZSA-N 321.425 1.334 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)(C)CN(C)C 95437012 DWTSFPYWVSQULI-TZMCWYRMSA-N 324.469 1.415 0 40 DDAB C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)(C)CN(C)C 95437011 DWTSFPYWVSQULI-GXTWGEPZSA-N 324.469 1.415 0 40 DDAB CCNC(=O)[C@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 77939032 OEVJOXRFZLTODX-ZDUSSCGKSA-N 314.393 1.323 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)no1 78881236 GERWQXLKFBYAES-QWRGUYRKSA-N 321.381 1.086 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 73923471 VHRMBYRBBUPXSS-HNNXBMFYSA-N 322.386 1.181 0 40 DDAB O=C(C[C@H]1COCCN1C(=O)c1ccon1)c1ccccc1 95965418 SCYUKCCLPHPJBQ-ZDUSSCGKSA-N 300.314 1.789 0 40 DDAB CNC(=O)CC1CCN(C(=O)NCCCn2cc(C)cn2)CC1 74869877 PIKZQHUERWBNPI-UHFFFAOYSA-N 321.425 1.139 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)no1 74936874 JDRGKEWWXDXHDN-UHFFFAOYSA-N 316.360 1.187 0 40 DDAB Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 20719064 IVVHOIJBKTUIGO-JTQLQIEISA-N 305.725 1.762 0 40 DDAB N[C@H]1CCN(c2cccc(CNC(=O)C3(C4CC4)CC3)n2)C1 1550194222 RZTPWROGOHWSNI-ZDUSSCGKSA-N 300.406 1.425 0 40 DDAB O=C(O)CS(=O)(=O)Cc1ccc(Br)cc1F 35284980 SCJLCTMZALNGJE-UHFFFAOYSA-N 311.128 1.588 0 40 DDAB CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@@H]2CC=CCC2)C1 521396467 YEXJZBGLYMQJLM-GFCCVEGCSA-N 310.394 1.441 0 40 DDAB Nc1cnn(-c2ccccc2)c(=O)c1I 217590865 XIYVDXPTALYDMO-UHFFFAOYSA-N 313.098 1.419 0 40 DDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccccc1 218023109 VJIVNVRXMXWSGF-KCQAQPDRSA-N 311.403 1.095 0 40 DDAB CNC(=O)[C@]1(C)CN(Cc2[nH]c3ccc(F)cc3c2C)CCO1 72379700 FRQOZGJSLWFFKN-KRWDZBQOSA-N 319.380 1.952 0 40 DDAB COc1cc(CNC(=O)N[C@H]2CCNC2)ccc1OC(F)F 566507618 JFYHWMCNQNXLRY-JTQLQIEISA-N 315.320 1.458 0 40 DDAB CCOc1ccccc1NC(=O)C[C@@H]1Cn2ncnc2NC1=O 40386486 HEIVEINYSBLGIH-SNVBAGLBSA-N 315.333 1.274 0 40 DDAB NC(=O)CN1CCC(c2nccnc2Nc2ccccn2)CC1 72361879 JARQPWZQCAJFJH-UHFFFAOYSA-N 312.377 1.280 0 40 DDAB C[C@@H](c1ccsc1)N1CCN(C(=O)Cc2ccn(C)n2)CC1 130352249 VIPRORCUARBRIV-ZDUSSCGKSA-N 318.446 1.930 0 40 DDAB Cc1ccc(OC(F)F)c(CN2CCOC[C@@H]2C(=O)O)c1 518386007 BALKRVAXSPTXQY-LLVKDONJSA-N 301.289 1.882 0 40 DDAB COC[C@@H]1CC2(CCN(C3CCC3)CC2)CN1CC(=O)N(C)C 96206132 KTBIINOFXGHMMU-INIZCTEOSA-N 323.481 1.430 0 40 DDAB COc1nc(C(=O)NCCn2cnnc2C)cc2ccccc12 96445328 MITKBZHPDGKZRW-UHFFFAOYSA-N 311.345 1.573 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](CCO)C3)nn2)n1 96413729 OSWMVAWKTXRIGD-CQSZACIVSA-N 301.394 1.878 0 40 DDAB O=C(c1ccco1)N1CCO[C@@H]2CN(CC3CC3)CC[C@@H]2C1 96055195 AOZICLCWDNYKQP-GDBMZVCRSA-N 304.390 1.853 0 40 DDAB O=C(c1cccs1)N1CCn2cc(Cn3cncn3)nc2C1 96197376 YAMPOCJCJLUUHM-UHFFFAOYSA-N 314.374 1.240 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(CCc3ccccc3)[C@@H]2C1 96111064 KUNAOTBWDHFRMK-OTWHNJEPSA-N 318.461 1.897 0 40 DDAB Cn1cc(N2C[C@]3(CCN(C(=O)c4ccc[nH]4)C3)CC2=O)cn1 96077575 ZKIYVHQRKBSJPQ-MRXNPFEDSA-N 313.361 1.017 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2CC1CCOCC1 96056482 NMKGLHLUBZYYTE-HZPDHXFCSA-N 309.454 1.040 0 40 DDAB C[C@H](O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 96494411 RHUIAXMFJYZXLZ-ONGXEEELSA-N 313.195 1.525 0 40 DDAB Fc1cnc(N2CCO[C@H]3CN(CC4CCCC4)C[C@H]32)nc1 96248862 QLIVNFHPVGSKDR-CABCVRRESA-N 306.385 1.695 0 40 DDAB CCN(CCNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1)C(C)C 245281323 AQUFANKSBAHJOU-YESZJQIVSA-N 322.497 1.842 0 40 DDAB COc1cc(OC)cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 61650302 BIOHRIZMSLPTGM-BBRMVZONSA-N 320.389 1.297 0 40 DDAB CNCC(=O)N1CCC[C@]1(C)c1nc(C)cc(C(F)(F)F)n1 257343496 ZTGKEQFNWQYVSR-CYBMUJFWSA-N 316.327 1.861 0 40 DDAB CCN1C(=O)C[C@@H](C(=O)NCCO)[C@@H]1c1ccccc1Cl 257324431 WOQUWPVAZTXQIY-RISCZKNCSA-N 310.781 1.358 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)COc2ccccc2Cl)C1 257331322 XSJJBNQAUSKRFE-HNNXBMFYSA-N 312.797 1.244 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CCO1 252581817 NGBPAQOLIORNBA-KKUMJFAQSA-N 308.353 1.738 0 40 DDAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(N)=O)[C@H]3C[C@H]21 257219148 DFUPKZBHZJCCJA-CXUGXGMPSA-N 316.401 1.863 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260910210 XHUPVKVROUVSKK-MJVIPROJSA-N 308.403 1.513 0 40 DDAB CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(OC(C)C)nc1 274774489 KLQQUIWZQXVIDS-CQSZACIVSA-N 306.362 1.689 0 40 DDAB CC(C)OC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 585109021 OHILHRSDTHUYPV-KBPBESRZSA-N 303.362 1.802 0 40 DDAB Cc1cc(C)cc(C2(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1 52427654 URRYQXZFPPYNAM-AWEZNQCLSA-N 321.442 1.886 0 40 DDAB CCC(=O)N1CC[C@H](NCc2nnn(C(C)(C)C)n2)[C@H](C)C1 1035864020 DYBMDLZXVVUETQ-NEPJUHHUSA-N 308.430 1.165 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 58264027 RWAKJJILWLTIIN-AGIUHOORSA-N 302.440 1.495 0 40 DDAB Cc1ncnc(OCC2CCN(Cc3nncn3C)CC2)c1C 1565520869 WKHKVICCGLUHGU-UHFFFAOYSA-N 316.409 1.513 0 40 DDAB COC(=O)c1n[nH]c2cc(I)ccc12 89195940 AZRMQKCBIQKSBH-UHFFFAOYSA-N 302.071 1.954 0 40 DDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@@H]3CCOC3)C2)no1 89289998 RZRXEEGMZLOTEB-UONOGXRCSA-N 322.409 1.091 0 40 DDAB COCCN1CCN(Cc2nc(-c3ccccc3)no2)CC1=O 91832061 GVLZKJQUAVYUQL-UHFFFAOYSA-N 316.361 1.027 0 40 DDAB COc1cc(OC)c2c(c1)O[C@@]1(C(=O)CC(=O)C[C@@H]1C)C2=O 205482897 WHASGVKEKOYBSQ-PWJLMRLQSA-N 304.298 1.586 0 40 DDAB in-vitro CCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O 5418085 XHRVJULMMHTENQ-UHFFFAOYSA-N 304.412 1.693 0 40 DDAB O=C(Cc1ccccc1Cl)N1CCn2c(CO)nnc2C1 12183969 DYBNMCQGKBODLK-UHFFFAOYSA-N 306.753 1.009 0 40 DDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)Nc1ccccn1)CS2 12667232 MVWUQQRPLIKLCW-JTQLQIEISA-N 302.359 1.622 0 40 DDAB COc1cc(Cl)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 8106812 DBJWDWQYFWANOC-BAQGIRSFSA-N 309.709 1.459 0 40 DDAB CC(=O)N[C@H]1CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 643912060 HNIFTFZVIVOQQG-HNNXBMFYSA-N 306.410 1.070 0 40 DDAB CC(=O)OC(C)(C)C(=O)N1CC[C@@H](Oc2cccc(C)n2)C1 238829961 FRDNTMRFLSNTSD-CYBMUJFWSA-N 306.362 1.711 0 40 DDAB CCc1ccc(C(=O)N2CCC3(CC2)OCC(=O)N[C@H]3C)cn1 1565552068 OETQBFGPYZJJCD-LBPRGKRZSA-N 317.389 1.154 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)CCF)C[C@@H]3C2=O)cs1 1565554414 QNTMNNUQNIRDDK-JQWIXIFHSA-N 311.382 1.228 0 40 DDAB Cc1ccc2ncc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)n2c1 9830078 DUEZIJLDSPZEKS-UHFFFAOYSA-N 323.308 1.984 0 40 DDAB O=S(=O)(CCCOc1ccc(F)cc1)NC[C@H]1CCCO1 12440789 WYCGWXUZNLGHSR-CQSZACIVSA-N 317.382 1.693 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1ccccn1 13806219 PNTVARJIPMPTMX-UHFFFAOYSA-N 320.352 1.622 0 40 DDAB COCC(=O)N1CCC2(CC[C@H](CN(C)C(C)C)OC2)CC1 2055835371 QCJNAUZSLRSMPF-OAHLLOKOSA-N 312.454 1.761 0 40 DDAB O=C(NC1CCOCC1)N[C@@H]1CCN(Cc2ccsc2)C1 585150072 VCGXTFNEKXAOAH-CQSZACIVSA-N 309.435 1.801 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC(C)C)n2)o1 19216710 RAIXGHBTUFFCJN-SNVBAGLBSA-N 304.350 1.480 0 40 DDAB CC1(C)OC(=O)C([C@H](c2ccccc2)[C@@H](C#N)C(N)=O)=C(O)O1 34887 YGVPQBXRLKSZQR-GHMZBOCLSA-N 316.313 1.474 0 40 DDAB CCOC(=O)C1C[C@H]2CN(C(=O)c3ccccc3)C[C@H](C1)C2=O 64927 NYBHVJOTWLYSNE-GJZGRUSLSA-N 315.369 1.917 0 40 DDAB CC(C)(C)OC[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 489220 SKKYDNDIAARCMO-RRFJBIMHSA-N 320.433 1.443 0 40 DDAB Cc1cc(C)n(C2CN(C[C@H](O)c3ccc4c(c3)OCO4)C2)n1 70039602 QDJDNDVPHOGXDL-HNNXBMFYSA-N 315.373 1.819 0 40 DDAB OCCN[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccccc1 1593688 CPENJQYCUCOIAE-IAGOWNOFSA-N 301.342 1.772 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 40513458 BJVYUISVMXYXDY-CQSZACIVSA-N 320.418 1.525 0 40 DDAB O=C(NC[C@H]1CCCO1)C1=NN(Cc2ccccc2)C(=O)CC1 40540109 RNRGOSMHNKCMQT-CQSZACIVSA-N 315.373 1.460 0 40 DDAB O=C(CSc1nncn1-n1cccc1)Nc1nccs1 4518582 UOUACZCYXODANR-UHFFFAOYSA-N 306.376 1.578 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(C)cc2)C1 20567741 DPSMPFKTKWVJBE-UHFFFAOYSA-N 314.389 1.819 0 40 DDAB CCS(=O)(=O)CCn1nnc(-c2ccc(C(C)C)cc2)n1 96410860 CKACDTAGGCRILB-UHFFFAOYSA-N 308.407 1.898 0 40 DDAB CCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 107586383 RYBIRGDBKUFRRH-SECBINFHSA-N 304.799 1.631 0 40 DDAB Cc1ccc(C)c(Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)c1 100887249 KPLAOHAUNRAZOT-UHFFFAOYSA-N 316.386 1.377 0 40 DDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCCCC1 57363955 CSEOWRJAJHTNTL-UHFFFAOYSA-N 303.406 1.527 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 32771695 JLZFGINQCMUTBT-QMMMGPOBSA-N 322.340 1.430 0 40 DDAB O=C(CCNC(=O)N1CCc2sccc2C1)N1CCCC1 69379105 QYVWEJQTPHTUAP-UHFFFAOYSA-N 307.419 1.828 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 41127735 RACQLJOLZQLUBH-QMMMGPOBSA-N 300.717 1.192 0 40 DDAB CN(CCOc1ccccc1Cl)c1ccc2nnnn2n1 32871888 IDYBGOMKDIYJQN-UHFFFAOYSA-N 304.741 1.688 0 40 DDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1cccs1 413475 IKDLSESRLAJAAG-UHFFFAOYSA-N 317.349 1.857 0 40 DDAB CCn1nc(C)c2c1cnn2CCNC(=O)c1cc(C)no1 57279089 XSDQLVHPRNMMPA-UHFFFAOYSA-N 302.338 1.288 0 40 DDAB CC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 57242950 RSCNEPOCFXWWFV-CYBMUJFWSA-N 312.435 1.800 0 40 DDAB CC(=O)Nc1nc(Cn2cnc3ccsc3c2=O)cs1 32907012 ZQCMOQWKKPCZTR-UHFFFAOYSA-N 306.372 1.921 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)N1CCC(CC(N)=O)CC1 46372457 WIIJFCVLCSXVNC-ZDUSSCGKSA-N 310.442 1.158 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)NCCNc1cnccn1 46372915 VKNOBSARZOFLNN-CYBMUJFWSA-N 306.414 1.062 0 40 DDAB Cn1c(-c2ccco2)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103000094 JFYUOYIRFCTBPK-XXFPWJFMSA-N 307.331 1.466 0 40 DDAB NC(=O)NC(=O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 53228398 OIZALFFXTVLBQM-ZDUSSCGKSA-N 309.341 1.002 0 40 DDAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(F)c(F)c2)no1 53308705 HPHKNHTWEZTOLY-UHFFFAOYSA-N 309.272 1.972 0 40 DDAB CN(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 22606485 KLZNJNOEOSRBLR-UHFFFAOYSA-N 321.196 1.279 0 40 DDAB CCc1ccc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)o1 42394746 XDQPLXXODMZVAJ-ZFWWWQNUSA-N 322.405 1.309 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C[C@@H](C)O1 47615248 RQRXBUGZVASIPC-MGPQQGTHSA-N 317.389 1.066 0 40 DDAB C[C@H](C(=O)Nc1cccnc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100634383 FUFFUWWYBZPBKF-GJKBLCTNSA-N 311.341 1.216 0 40 DDAB CC(=O)Nc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1 1427056 SHNJLQGDCPVDTJ-UHFFFAOYSA-N 312.391 1.283 0 40 DDAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1689941 ZIFOWKKZIWXFJO-UHFFFAOYSA-N 313.379 1.433 0 40 DDAB in-vitro O=C(NCC(F)(F)F)[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 110641804 HXLZXHICWONKKR-NEPJUHHUSA-N 308.344 1.946 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)NC1Cc2ccccc2C1 108473094 DPUBASBGPKVMSM-KGLIPLIRSA-N 317.433 1.562 0 40 DDAB COc1ccccc1-c1nc(CN2CCNC(=O)C2)cs1 57850323 CVNUOVXNZWDSPQ-UHFFFAOYSA-N 303.387 1.751 0 40 DDAB CCOC(=O)[C@](O)(c1ccc(N(C)C(C)=O)cc1)C(F)(F)F 2067017 VROVDFRZAZCLKT-CYBMUJFWSA-N 319.279 1.982 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N2CCCc3ccccc32)cn1 3219238 PYSVDICLIWOIHC-UHFFFAOYSA-N 311.341 1.921 0 40 DDAB NS(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1Cl 58101088 IVLAPEMDOBHJBD-UHFFFAOYSA-N 302.783 1.660 0 40 DDAB COc1ccc(-c2nnc(SCCn3cncn3)n2C)cc1 58325583 JGYRSWSGXFWSQA-UHFFFAOYSA-N 316.390 1.875 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)Nc2ccc(OC)nc2)CC1 48018037 UVMHLEALWPQERM-ZDUSSCGKSA-N 321.425 1.238 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)N(C)Cc2cc(C)on2)CC1 48275514 RVQASCSIIGXYGX-ZDUSSCGKSA-N 323.441 1.150 0 40 DDAB Cn1nc(C(=O)NCCc2cccc3cccnc23)ccc1=O 12893480 XDCDWWBBKRLDRK-UHFFFAOYSA-N 308.341 1.301 0 40 DDAB O=C(Cn1cnc2ccccc21)Nc1ccc(-n2cnnn2)cc1 36709876 ISNKLTMDARCXNA-UHFFFAOYSA-N 319.328 1.651 0 40 DDAB CC1CCN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1 3592946 GJJXZHYMNQXCGS-UHFFFAOYSA-N 321.421 1.890 0 40 DDAB Cc1ccc([C@@H](O)CN2CCN(C(=O)N(C)C)CC2)cc1C 63497580 HRCFGDVECVLDHJ-INIZCTEOSA-N 305.422 1.636 0 40 DDAB Fc1ccc(-c2nnc(S)n2CCN2CCOCC2)cc1 4206937 FBISWOXHMLWDOT-UHFFFAOYSA-N 308.382 1.705 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCCc2ccccc21 69629043 SYFOMRLHMUOLQV-ZFWWWQNUSA-N 322.430 1.940 0 40 DDAB C[C@H](NC(=O)c1cccc(N(C)C)c1)C(=O)N1CCSCC1 69698413 PMISXJTZUZBSLX-LBPRGKRZSA-N 321.446 1.446 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCC[C@H](Cn2cncn2)C1 69696902 VQPBXWWVSXFOBC-LBPRGKRZSA-N 308.817 1.886 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnn(C)c1)c1cc(F)ccc1F 69737038 ZFBMASYOBPJUPS-LBPRGKRZSA-N 309.272 1.342 0 40 DDAB COc1ccc(-c2noc(CCC(=O)N3CCOCC3)n2)cc1 4384075 KRNXALBXZWAQDA-UHFFFAOYSA-N 317.345 1.537 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)CN(c2ccccc2)C1=O)C1CC1 65498899 MSNKDTBHYOFDOB-LLVKDONJSA-N 301.346 1.370 0 40 DDAB Cc1noc(C)c1CN1CCN(c2ccc3nncn3n2)CC1 69877151 PNZLHIYBJQUXLB-UHFFFAOYSA-N 313.365 1.051 0 40 DDAB CN1CCCC[C@@H]1CN1CCN(C(=O)Cc2cccs2)CC1 69875461 YCFBNEPNLDYCKH-OAHLLOKOSA-N 321.490 1.919 0 40 DDAB CC(C)(O)CN1CCN(C(=O)CCCc2ccccn2)CC1 69807938 KMJCTZZGQQXOSS-UHFFFAOYSA-N 305.422 1.319 0 40 DDAB COc1ccc(C[C@H](C)N(C)C(=O)[C@H]2CCC(=O)NC2)cc1 65625912 QHNRFVCFEYCGSZ-JSGCOSHPSA-N 304.390 1.611 0 40 DDAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc(F)cc2)no1 6561510 UGAVHXFVDQKRLF-UHFFFAOYSA-N 308.265 1.683 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3nnc(C)n3C)cc2)n1 69918442 REZQZHNBBYIVMD-UHFFFAOYSA-N 324.388 1.856 0 40 DDAB Cc1nnc2n1CCN(C(=O)C[C@H]1OCCc3ccsc31)C2 69967192 OMLSRXDTMMOIAZ-GFCCVEGCSA-N 318.402 1.694 0 40 DDAB CCc1nc(CC(=O)N2CCN(CC(C)(C)O)CC2)cs1 69952096 DWAPDPSRFQLRHN-UHFFFAOYSA-N 311.451 1.163 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 8726914 JWKALNDNQPMJSR-ZDUSSCGKSA-N 303.362 1.066 0 40 DDAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccccc2)n1 4999447 DLIHBZAQLAOWDH-VIFPVBQESA-N 305.359 1.898 0 40 DDAB O=C(c1cn2cccnc2n1)N1CCO[C@@H](C(F)(F)F)C1 71415724 BZBBRZDFELXWID-SECBINFHSA-N 300.240 1.133 0 40 DDAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2c1C 9577401 GZQCIOZIKWFSAO-UHFFFAOYSA-N 316.357 1.800 0 40 DDAB CCS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)O)C2)c(F)c1 19735952 JAYGQEIXBNRNLG-JTQLQIEISA-N 315.366 1.920 0 40 DDAB CCCOc1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 93531294 HCVDXVKHGUTKAO-CQSZACIVSA-N 312.435 1.599 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 71881810 XDRIVCCXTMHYKA-CQSZACIVSA-N 308.426 1.167 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 36633913 ILDNEJBVROFDRK-CQSZACIVSA-N 321.808 1.609 0 40 DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[C@@H](C)CO 83734170 ODWIJGXKPHOVKZ-AQSPQVKKSA-N 304.456 1.382 0 40 DDAB CCc1ocnc1C(=O)N1C[C@H](CC)[C@H](N2CCOCC2)C1 83817692 MDXFCBLQQPWQMW-QWHCGFSZSA-N 307.394 1.420 0 40 DDAB Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)nnn4C)[nH]2)o1 89656128 GGGNFFQLKDEIKF-UHFFFAOYSA-N 323.316 1.907 0 40 DDAB O=S(=O)(NCc1nc(-c2cccs2)n[nH]1)c1cccnc1 71904729 GDHHHURAHDCOOL-UHFFFAOYSA-N 321.387 1.407 0 40 DDAB Cc1ccc(CNC(=O)CN2CCC[C@@](C)(CO)C2)cc1F 84183235 MLSNNLXCZZCOCU-QGZVFWFLSA-N 308.397 1.845 0 40 DDAB COc1ccc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)cn1 84199993 XRVUYLKXZVJZID-UHFFFAOYSA-N 322.365 1.831 0 40 DDAB CCN1CCC(Nc2cc(N3CCC[C@@H]3CO)ncn2)CC1 72276020 JETRRIUEGCGDLG-CQSZACIVSA-N 305.426 1.334 0 40 DDAB Cc1cc(OC[C@@H]2CCCNC2)nc(OC[C@H]2CCCNC2)n1 72203817 XFGCQWIDRNOJHU-CABCVRRESA-N 320.437 1.542 0 40 DDAB O=C(CCn1ccnc1)N1CCC[C@@H]1c1noc(C2CC2)n1 72299515 SQSDNYMARQZLTP-GFCCVEGCSA-N 301.350 1.897 0 40 DDAB Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)n(C)n1 97036638 YCWZXUSCXBTIDP-GFCCVEGCSA-N 309.272 1.562 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)[C@H](C)NC(=O)c2ccccc21 72325910 WDNYFOLDTKIDSG-LBPRGKRZSA-N 317.389 1.314 0 40 DDAB biogenic CO[C@H](CNC(=O)CCn1cncn1)c1cccc(Cl)c1 76067212 SHUXWFNREVFHJB-CYBMUJFWSA-N 308.769 1.826 0 40 DDAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc[nH]c1=O 84522437 FOXXISZPXOJQMY-INIZCTEOSA-N 311.385 1.942 0 40 DDAB CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCOCO1 84622398 GNJCTWZXZSRFQE-VIFPVBQESA-N 301.774 1.690 0 40 DDAB CCOc1cncc(N2CCN(c3cc(C)nc(C)n3)CC2)n1 95425651 YIAVDGZVARUXJG-UHFFFAOYSA-N 314.393 1.609 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)Nc1ccccn1 95446896 DBGBFFSGMNJFPN-LBPRGKRZSA-N 313.423 1.165 0 40 DDAB Cc1csc([C@@H](C)NC(=O)N2CCC[C@H]2C(=O)NC2CC2)n1 95436897 DZDOJCZWHZHYOS-PWSUYJOCSA-N 322.434 1.965 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2CCC[C@H]2c2nncn2C)cn1 95453368 WKKMSCXEXQGQOB-LBPRGKRZSA-N 324.410 1.118 0 40 DDAB COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)C(=O)NC(C)(C)C 95414980 CSJHBVAZYSTOKO-MNOVXSKESA-N 309.414 1.152 0 40 DDAB Cc1nnc([C@@H](C)OC(=O)c2cccc3c2oc(=O)n3C)o1 95975569 GRWDXHYMXYLKCT-SSDOTTSWSA-N 303.274 1.741 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)Nc1ncc(Br)cn1 95975075 SGNANSUSVWIWSC-NSHDSACASA-N 321.178 1.748 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cn1 1548453976 JUCVWQJFZODGKO-ZDUSSCGKSA-N 316.405 1.509 0 40 DDAB CCCCNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 113934869 DPNVPWSOZGQPNT-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB O=C(c1cccc(I)c1)N1CCNCC1 34957806 PRVHXQBQHUOYQK-UHFFFAOYSA-N 316.142 1.337 0 40 DDAB NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1nsc2ccccc12 519640675 ZGDUIBLENGLMQQ-NWDGAFQWSA-N 317.414 1.999 0 40 DDAB CCOC(=O)c1csc(=O)n1Cc1nnc(-c2ccco2)o1 187995301 WYMZMZHINUHETQ-UHFFFAOYSA-N 321.314 1.778 0 40 DDAB CC(C)N(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C 79409773 ONBYQGMALZAXEY-STQMWFEESA-N 313.442 1.970 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC 218596038 AIFNAENWTBVKJZ-RDBSUJKOSA-N 301.383 1.460 0 40 DDAB CCn1ccc(C(=O)NCc2nc(-c3cc(C)on3)no2)n1 225813910 BTTWQEHCXVLEHU-UHFFFAOYSA-N 302.294 1.179 0 40 DDAB O=C([C@@H]1COc2ccccc21)N1CCC(c2nnc(O)o2)CC1 573938454 JDRTZGHQSKIEMY-GFCCVEGCSA-N 315.329 1.657 0 40 DDAB NC1(CO)CCN(c2nn3cc(C4CCCC4)nc3s2)CC1 195571616 JTVSISCZVJYZGX-UHFFFAOYSA-N 321.450 1.738 0 40 DDAB CC1=CCN(CCNC(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)CC1 570679988 FJFVIWIITSJOMI-UONOGXRCSA-N 309.410 1.391 0 40 DDAB COc1cccc([C@H]2C[C@@H](C)CN2Cc2nc(=O)n(C)[nH]2)c1 329682455 SLJIZDPKQLLXCN-BXUZGUMPSA-N 302.378 1.700 0 40 DDAB CN(CCN1C(=O)CCC1=O)Cc1nc2ccccc2n1C 83219420 JXHCXCHZOWQZCL-UHFFFAOYSA-N 300.362 1.154 0 40 DDAB CNS(=O)(=O)CCC[S@](=O)Cc1ccc(Cl)cc1C 195579443 GQUNMEAAYRTQQQ-SFHVURJKSA-N 323.867 1.836 0 40 DDAB CCS(=O)(=O)N1CCc2nc(N3CCCC3)nc(C)c2C1 96253848 KOCWPXLNGXSYMH-UHFFFAOYSA-N 310.423 1.093 0 40 DDAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CCCCNC1=O 96415351 WSNITTYIPLGXET-TVQRCGJNSA-N 308.382 1.190 0 40 DDAB COC(=O)c1ccc(Cl)c(Cn2cnnc2[S@@](C)=O)c1 96500573 FTHKRMQAZALFRO-FQEVSTJZSA-N 313.766 1.504 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccccn1 96062064 KTHSGICPKHFWGP-CYBMUJFWSA-N 322.372 1.740 0 40 DDAB O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 96038681 VROIUIROMMKQSD-CZUORRHYSA-N 321.446 1.650 0 40 DDAB CCS(=O)(=O)C[C@]1(c2cccc(Cl)c2)OC[C@@H](CO)O1 96531788 MJXOJPHTXAILHP-OLZOCXBDSA-N 320.794 1.335 0 40 DDAB COCCn1cc(NC(=O)c2ccc(Cl)cn2)ccc1=O 96476501 MRFUNIIMXHJODR-UHFFFAOYSA-N 307.737 1.795 0 40 DDAB Cc1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nn1 96239283 FPRLDVMMEMEOOC-INIZCTEOSA-N 312.377 1.152 0 40 DDAB CC(C)CN1CCNC(=O)C12CCN(Cc1ccccn1)CC2 96230174 BMKFLVMSPDGMFO-UHFFFAOYSA-N 316.449 1.504 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96218687 VDUFMAXCOOZZLX-HOCLYGCPSA-N 303.362 1.566 0 40 DDAB C[C@H](CS(=O)(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1 96482437 RTIGNBXZEHFOKV-CYBMUJFWSA-N 322.430 1.427 0 40 DDAB CO[C@@H]1CCN(C(=O)C2CC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96108593 XWZZUFSLXMPBOJ-GVDBMIGSSA-N 315.417 1.539 0 40 DDAB CCc1nn(C)c2[nH]nc(NC(=O)CCOCC(F)(F)F)c12 96406467 QYWDIQAGQPBZTH-UHFFFAOYSA-N 319.287 1.766 0 40 DDAB COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 96181510 BXJLHFIVPMLSSO-JKSUJKDBSA-N 320.389 1.046 0 40 DDAB c1csc(CN2CCn3cc(CN4CCCC4)nc3C2)n1 96197213 QFYUJQXLAOYCBP-UHFFFAOYSA-N 303.435 1.951 0 40 DDAB CN(C)C[C@@H]1CCC2(CN(C(=O)Cc3ccc(F)cc3)C2)OC1 248075668 BRVZBCLCOHOVIX-HNNXBMFYSA-N 320.408 1.937 0 40 DDAB Nc1nc([C@@H]2CCCN(C(=O)c3ccco3)C2)cc2ccnn12 257225541 FGRAOJUTNQBXFM-LLVKDONJSA-N 311.345 1.924 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)Cc2ccc(F)c(Cl)c2)CCO1 257206892 BFIZARNXFLLALO-AWEZNQCLSA-N 314.744 1.124 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cnccn1 257254004 KBENFQKMQDMIHU-ZDUSSCGKSA-N 313.361 1.049 0 40 DDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1ccsc1 390830686 MQPIDICVYKRIRB-UHFFFAOYSA-N 301.327 1.169 0 40 DDAB CCc1nc(C(C)(C)NS(=O)(=O)Cc2ccccc2)no1 390835803 YQGUCFNZCUFMIW-UHFFFAOYSA-N 309.391 1.987 0 40 DDAB O=C(N1CC2(C[C@H](Oc3ccccn3)CCO2)C1)C1(F)CC1 575402925 FMGCOHQKSCKPMK-GFCCVEGCSA-N 306.337 1.723 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN(c2cnsn2)CC1 585148734 FCBHRNFPLPTMBV-UHFFFAOYSA-N 306.366 1.569 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)[C@H](C)CO1 45449486 NPIHXQLGNVZFPC-OLZOCXBDSA-N 300.362 1.576 0 40 DDAB CONC(=O)[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 62022945 QHAGOTXLOOOXQJ-JTQLQIEISA-N 322.390 1.688 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CC[C@@H](C(=O)O)C1 62119180 BTLUFANGEWXRBF-MRVPVSSYSA-N 315.167 1.817 0 40 DDAB O=C(Nc1ccnn1CC1CC1)[C@H]1CCCN(C(=O)C2CC2)C1 89885074 OMACRUXWWLLPIP-AWEZNQCLSA-N 316.405 1.880 0 40 DDAB O=C(C1CC1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121059 KPEZZYGBSJCDFJ-UHFFFAOYSA-N 301.394 1.135 0 40 DDAB C[C@@H]1CCN(CC(=O)N2CCN(c3cncc(F)c3)CC2)C1 563385878 FQEZGHPOBVIURE-CYBMUJFWSA-N 306.385 1.211 0 40 DDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O 12974472 IOZKVHKGJCQOAJ-MRVPVSSYSA-N 321.299 1.118 0 40 DDAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(S(N)(=O)=O)cc1 15555857 MRVUFEWTKFMQGW-SNVBAGLBSA-N 322.361 1.964 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 16610287 XSBBWGOSGLQEIH-SNVBAGLBSA-N 314.407 1.474 0 40 DDAB Cc1n[nH]cc1C(=O)N1CCO[C@](C)(C(=O)NC2CCCC2)C1 19747081 PCLCIIVQOHOCKA-INIZCTEOSA-N 320.393 1.008 0 40 DDAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](n2ccnn2)C1 206929736 XFSWXFHSVPUTTN-ZDUSSCGKSA-N 308.345 1.755 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)cn1 157213801 XCOYJDIXPLWEJV-GFCCVEGCSA-N 301.412 1.388 0 40 DDAB CCOC(=O)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 2570466 GTWLBEQCPYFWNC-UHFFFAOYSA-N 310.394 1.237 0 40 DDAB CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 2634617 VCVAUDJBUOJEIJ-CQSZACIVSA-N 309.753 1.195 0 40 DDAB CS(=O)(=O)Nc1cc(NC(=O)C2CCOCC2)ccc1F 22972575 ZZJKBLVWUVKKIN-UHFFFAOYSA-N 316.354 1.562 0 40 DDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 408015368 BRXMYCQMEXGMNU-LLVKDONJSA-N 320.773 1.372 0 40 DDAB CC(C)N1CCO[C@@H]2CN(C(=O)CC3(O)CCC3)CC[C@H]2C1 1565546175 VEEZRULPXMLKLZ-LSDHHAIUSA-N 310.438 1.249 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1565553500 AYZPMKMLYUSJTG-GOEBONIOSA-N 321.377 1.270 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1cc(C)ccc1O)C(=O)O 4939793 MXXXLBGXMNXGBY-LBPRGKRZSA-N 310.350 1.109 0 40 DDAB CC(C)OCCCN[C@@H](CC(=O)Nc1cccnc1)C(=O)O 5258861 MXFOVOCJMWPSNT-ZDUSSCGKSA-N 309.366 1.268 0 40 DDAB C=CC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)CC1 2055772349 AZWDTIJIRMOWGR-UHFFFAOYSA-N 305.353 1.531 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055714902 XEEYEOSDZXKSJU-NSHDSACASA-N 304.394 1.254 0 40 DDAB O=C(CNC(=O)c1c[nH]c2ccccc12)NC[C@H]1CCCO1 49027766 NMVNXSQGYYQQLQ-LLVKDONJSA-N 301.346 1.193 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)n1nc2c(cc1=O)CCC2 575621487 XJZHCVAEGAUIAN-JTQLQIEISA-N 323.356 1.808 0 40 DDAB Cc1cc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)ncn1 585359603 KRGAINIOCDWTJG-LLVKDONJSA-N 315.329 1.597 0 40 DDAB CCOc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OCC 32782 UZMBDGMOUGGGAF-UHFFFAOYSA-N 319.361 1.159 0 40 DDAB CN(C)CCCNC(=O)C1CCN(Cc2ccccc2)CC1 20100526 KNSSQUHHXSVLNY-UHFFFAOYSA-N 303.450 1.967 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)CCC(=O)Nc1cc(C)ccc1F 55154024 DITKOQBVWHHBTD-NSHDSACASA-N 324.352 1.921 0 40 DDAB CC[C@@H]1CN(c2ncnc3ccsc23)CCN1C[C@H](C)O 106840014 AUIAPNJTCHSAFW-NWDGAFQWSA-N 306.435 1.973 0 40 DDAB CNC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccccc12 25200755 AMAKHEKGUATMKY-UHFFFAOYSA-N 320.352 1.773 0 40 DDAB CCc1ncncc1C(=O)N1CCC(c2nc(C)no2)CC1 56131799 TYOIKJOSBJRKDZ-UHFFFAOYSA-N 301.350 1.750 0 40 DDAB O=C(Cc1cccs1)NCc1ccnc(N2CCOCC2)c1 25757296 OYQUYZVTZRUWIX-UHFFFAOYSA-N 317.414 1.839 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 35220538 NRBFPSJBXUBMRO-RYUDHWBXSA-N 318.439 1.094 0 40 DDAB CCOCCO[C@H](C)C(=O)NCc1ccnc(N2CCCC2)c1 57449838 PRWWYDJJYZQQRE-CQSZACIVSA-N 321.421 1.740 0 40 DDAB O=C(CN1CCS(=O)(=O)CC1)OCc1ccccc1Cl 58916803 JYFMARHLDGIDKT-UHFFFAOYSA-N 317.794 1.114 0 40 DDAB C[C@@H]1CN(CCNC(=O)c2ccc(NC3CC3)nc2)C[C@@H](C)O1 58268233 PJRWVKKIQGGCFS-CHWSQXEVSA-N 318.421 1.495 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(C)c(OC)c(C)c1 58330290 OAAYPMUJRFFMNB-LBPRGKRZSA-N 307.394 1.588 0 40 DDAB CC[C@@]1(C)Cc2c(sc3nc(NN)n4ncnc4c23)CO1 2453063 NVTJXOKUABUMCL-ZDUSSCGKSA-N 304.379 1.866 0 40 DDAB COC(=O)CCCCCNC(=O)c1ccc2c(c1)OCCO2 45591338 ZZBJXBNQGJXOPW-UHFFFAOYSA-N 307.346 1.921 0 40 DDAB Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)n2N)cc1 3376101 NGHOUPOIWNRNJM-UHFFFAOYSA-N 317.418 1.682 0 40 DDAB O=C(CSc1cccc[n+]1[O-])Nc1ccc2c(c1)OCCO2 3338304 LLULHTMFUMTIFC-UHFFFAOYSA-N 318.354 1.822 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)N(CC(N)=O)C1CCCC1 47236446 DSCBUIZUWHPWQB-NSHDSACASA-N 308.353 1.850 0 40 DDAB CN(C)[C@@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@H]2CCC(=O)N12 12413919 BTPPIVIFIBWRNQ-BXUZGUMPSA-N 311.744 1.662 0 40 DDAB O=C1C[C@@H](n2nnn(-c3ccccc3)c2=S)[C@H]2CO[C@H]1O2 102988930 CIFNYXJRKAYSPW-JLLWLGSASA-N 304.331 1.054 0 40 DDAB biogenic CC(C)(C)c1noc([C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 95959374 CVCXYCUKTZIBIE-LBPRGKRZSA-N 322.409 1.015 0 40 DDAB CCCCOc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1 3465105 XSICPNQYKONAPH-SNVBAGLBSA-N 308.334 1.606 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)c1 12908254 FTZJXQPSIDWNSM-UHFFFAOYSA-N 315.417 1.796 0 40 DDAB NC(=O)c1c[nH]c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 95429520 ZIRSLSHNGAAOQZ-CYBMUJFWSA-N 317.345 1.528 0 40 DDAB COc1cccc(CNCCNC(=O)c2ccncc2)c1OC 4498098 JAHGSILKGUQEDJ-UHFFFAOYSA-N 315.373 1.618 0 40 DDAB C[C@H](NC(=O)N1CC[C@H](C(N)=O)C1)[C@@H]1C[C@@H]1c1ccccc1 65495618 HIXZATLZVFYPAL-CYUUQNCZSA-N 301.390 1.695 0 40 DDAB NC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccccc1F 65423416 ICTWKIMOXUJNKI-ZDUSSCGKSA-N 305.309 1.835 0 40 DDAB CCOc1ccccc1NC(=O)NCCCN1CCOCC1 65550521 RKFYHEWZBNVGMD-UHFFFAOYSA-N 307.394 1.929 0 40 DDAB Cc1ccc(O)c(CN[C@@H]2CCc3nc(C(C)C)nn3C2)n1 71877283 HSNUNJUJRKTCLR-GFCCVEGCSA-N 301.394 1.915 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 6542873 HJWCPKRZJBYYMD-INIZCTEOSA-N 317.345 1.354 0 40 DDAB C[C@@H](NC(=O)N1CCOCC1)c1cccc(N2CCCC2=O)c1 65829371 BROSTJPFODVBCD-CYBMUJFWSA-N 317.389 1.916 0 40 DDAB Cc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)[nH]c(=O)n3C)cc1 4606919 NGUXKTUBPWERAP-JTQLQIEISA-N 312.329 1.176 0 40 DDAB O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cnn[nH]1 71908145 AIVPNXRNFWHJFH-UHFFFAOYSA-N 318.724 1.481 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)NCc1ccc(Cl)s1 71907770 GXHKKCSSUXHVOH-SNVBAGLBSA-N 316.810 1.655 0 40 DDAB COC(=O)c1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1 15082050 SCSSXIZIZGDMIQ-SECBINFHSA-N 303.343 1.986 0 40 DDAB CS(=O)(=O)Cc1ccc(C(=O)NCCc2ccccn2)cc1 5937406 ZRLVLBYIVCOXCX-UHFFFAOYSA-N 318.398 1.599 0 40 DDAB CC[C@@H](C)Nc1nnc(S[C@H](C)C(=O)NC(=O)NC)s1 9762770 AYMRHFIKZMNZKV-RNFRBKRXSA-N 317.440 1.685 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)[C@H](N(C)C)C1 84177522 KHAICOHWJDLFGH-SWLSCSKDSA-N 324.446 1.421 0 40 DDAB CN1C[C@H](C(=O)NCc2ccnc(N3CCCCC3)c2)CC1=O 95950655 VDYZAPZHTYSONF-CQSZACIVSA-N 316.405 1.166 0 40 DDAB C[C@H]1COCCN1Cc1nc2ncc(Br)cc2[nH]1 72290403 FUGIKMMECRHFGY-QMMMGPOBSA-N 311.183 1.941 0 40 DDAB c1ccc(-n2ncc(CN3CCn4c(nnc4C4CC4)C3)n2)cc1 72268372 CZKGLWQFQPMNLN-UHFFFAOYSA-N 321.388 1.752 0 40 DDAB COCCN1CCN(Cc2cc(F)c(F)cc2F)CC1=O 97052014 VWMWLZOSAXTHKG-UHFFFAOYSA-N 302.296 1.395 0 40 DDAB NC(=O)NCCNC(=O)c1c[nH]nc1-c1ccccc1Cl 87367117 ZVEUZCRZODXCJY-UHFFFAOYSA-N 307.741 1.128 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccccc2)C1=O 8323843 DFVLUEBKPATWIZ-BONVTDFDSA-N 305.334 1.206 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCC(F)(F)F)C1 84281173 CLCZNYXKGGUUQX-NSHDSACASA-N 320.315 1.753 0 40 DDAB COc1cccc(S(=O)(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 69440854 RLWIWRKHSGCCHK-CHWSQXEVSA-N 313.419 1.578 0 40 DDAB COc1ccc(OC)c(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 97163913 QFKUIDOYQLIWHT-QMTHXVAHSA-N 315.391 1.301 0 40 DDAB Cc1ccccc1[C@H](C)NCC(=O)NC[C@H]1CCS(=O)(=O)C1 95984217 OIDGVZZYOHGFIF-UONOGXRCSA-N 324.446 1.197 0 40 DDAB CC(=O)c1cnn(-c2cc(N3C[C@H](C)O[C@H](C)C3)ncn2)c1C 17722506 XIDCJSZHTWKCOM-PHIMTYICSA-N 315.377 1.787 0 40 DDAB CC(CO)(CO)C(=O)OCc1ccc(Br)cc1 95976343 MRKKQAYDWDNGSS-UHFFFAOYSA-N 303.152 1.483 0 40 DDAB COc1cccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 74934536 QQONOIRIFQGCFE-UHFFFAOYSA-N 306.343 1.595 0 40 DDAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCc1n[nH]c(=O)[nH]1 75093034 KJPWGRDYADKFJL-CHWSQXEVSA-N 300.362 1.259 0 40 DDAB CSC[C@H](CCO)NS(=O)(=O)c1cnc(Cl)c(C)c1 89591533 IXHSFHDQKWRLPS-VIFPVBQESA-N 324.855 1.436 0 40 DDAB Cc1ccc(-n2[nH]c(C(=O)N3CCSCC3)cc2=O)cc1 89642651 KTWLLRLLEMRCBW-UHFFFAOYSA-N 303.387 1.663 0 40 DDAB O=C(NCC1(O)CCOCC1)c1csc(Br)c1 75228837 AQTOQKYHLQCGET-UHFFFAOYSA-N 320.208 1.782 0 40 DDAB COCCN1CCC[C@@H](NC(=O)N[C@H](C)c2c(C)noc2C)C1 75611855 YGIDRXAKFBBQRT-BXUZGUMPSA-N 324.425 1.762 0 40 DDAB Cc1noc(C)c1C[C@H](C)NC(=O)Nc1cccn(C)c1=O 76070781 NRAHMDPOAQPQBA-VIFPVBQESA-N 304.350 1.743 0 40 DDAB NNc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 408712859 XDZDZAJXLQFUGC-UHFFFAOYSA-N 310.313 1.459 0 40 DDAB C[C@@H](CC(=O)N1CCC(c2ccnn2C)CC1)n1ccnc1 517240086 XIBYYJSIGWSOFG-ZDUSSCGKSA-N 301.394 1.974 0 40 DDAB NC(=O)c1coc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 187989512 LFMPSBAIYXPEHV-WBMJQRKESA-N 321.377 1.215 0 40 DDAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)cc1 71979983 VPUXQLXBXZAVAB-CQSZACIVSA-N 318.373 1.343 0 40 DDAB CCc1nc(CN(C)C(=O)[C@H]2CCc3nnn(C)c3C2)cs1 561401412 SHAXFXQWPFUYRT-JTQLQIEISA-N 319.434 1.598 0 40 DDAB COc1cccc(NC(=O)Cc2ncc(C(=O)O)c(C)n2)c1 217354786 OKMVEZFLOASSKP-UHFFFAOYSA-N 301.302 1.673 0 40 DDAB Cc1nccc(N2CCC[C@](C)(C(=O)N3CCOCC3)C2)n1 72381141 FCKJNQYHGBHHSW-INIZCTEOSA-N 304.394 1.250 0 40 DDAB CN1C(=O)C[C@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C1=O 79193019 JOJYFZRSTOQMDS-AWEZNQCLSA-N 317.776 1.937 0 40 DDAB biogenic O=C1C[C@@H](NS(=O)(=O)c2c(F)cccc2F)CN1C1CC1 75161560 XYRHMSRPNQVXAW-MRVPVSSYSA-N 316.329 1.006 0 40 DDAB Cc1ncsc1C(=O)NC[C@@H](O)COc1ccc(F)cc1 67147042 BQPTYFSSRSJCKJ-LLVKDONJSA-N 310.350 1.760 0 40 DDAB CN1CCCN(c2ccc(CNC(=O)c3ccoc3)cn2)CC1 69414925 RTOVNFLRYHRNPO-UHFFFAOYSA-N 314.389 1.747 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccc(F)cc1 85475677 JWVSQGXGUPFBGZ-UKRRQHHQSA-N 316.336 1.717 0 40 DDAB CCCCS(=O)(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 67717883 ZNMIQOWOYFLXTE-ZNMIVQPWSA-N 318.483 1.690 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccccc2F)CC1 44817738 GPJOLHNVEWLNEY-UHFFFAOYSA-N 301.321 1.476 0 40 DDAB Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2ccc(F)cc21 40789143 JIPIYUCKZTYRPC-UHFFFAOYSA-N 303.337 1.655 0 40 DDAB NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cnc(C3CC3)nc2)C1 1550308662 YKTUGRPHYQRSOY-IBGZPJMESA-N 322.412 1.983 0 40 DDAB C[C@H](c1ccsc1)N1CCN(C(=O)Cc2ccn(C)n2)CC1 130352515 VIPRORCUARBRIV-CYBMUJFWSA-N 318.446 1.930 0 40 DDAB O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 40474125 VDVJCWJHYRNVNJ-MRVPVSSYSA-N 323.292 1.958 0 40 DDAB C[C@H]1[C@@H](C)OCCN1C(=O)C(=O)Nc1cccc2[nH]ccc12 190019032 UMHLBXARAFDABY-WDEREUQCSA-N 301.346 1.742 0 40 DDAB COCCCNC(=S)Nc1nc(C)cc(N2CCCC2)n1 225901917 FZUUZQVXMUGIQJ-UHFFFAOYSA-N 309.439 1.708 0 40 DDAB Cc1ccccc1[C@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)C1 69348941 FJFHJWGDYMFZFB-AWEZNQCLSA-N 313.401 1.382 0 40 DDAB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cccc(Cl)c1 40386538 KTMAAXIOMXKPEZ-MRVPVSSYSA-N 305.725 1.529 0 40 DDAB CN(C)CCNC(=O)c1n[nH]c2ccc(Br)cc12 80443387 DQOVDTZTUHZZOM-UHFFFAOYSA-N 311.183 1.617 0 40 DDAB c1ccc(CN2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)nc1 96183333 PFHMFFQZPSSWMO-FUHWJXTLSA-N 310.401 1.814 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O 96243377 NDVOLWKXLDZRLT-UHFFFAOYSA-N 315.417 1.029 0 40 DDAB NC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 96188092 BSBJKKWLFJPGCT-ZDUSSCGKSA-N 301.350 1.005 0 40 DDAB CN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccncc1F)C2 96229700 CSRAOBAJNOJWPC-INIZCTEOSA-N 305.353 1.838 0 40 DDAB C[C@H](C(=O)Nc1nnn[nH]1)c1ccc(C[C@@H]2CCCC2=O)cc1 95479912 TXVHZVJHBCFMLT-GWCFXTLKSA-N 313.361 1.854 0 40 DDAB CCCNC(=O)CNc1ccccc1N1CCC(CO)CC1 95416354 PBDPBAPQSZCLAB-UHFFFAOYSA-N 305.422 1.833 0 40 DDAB CC[C@H](CNc1ccc(C(N)=O)nn1)Oc1cccc(F)c1 96460833 LMRPSUQDORISFM-LLVKDONJSA-N 304.325 1.984 0 40 DDAB O=C(COC[C@@]12CCO[C@@H]1CCN(CC1CC1)C2)N1CCCC1 96110367 LXIZUKWDFXNRNE-AEFFLSMTSA-N 322.449 1.516 0 40 DDAB O=C(CC1CC1)NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1 96199186 RSBSQPBWZFKUMW-GFCCVEGCSA-N 318.402 1.822 0 40 DDAB O=C(c1cscn1)N1CCC2(CC1)CC(N1CCOCC1)C2 96159238 XWJYFXHBTRKKMA-UHFFFAOYSA-N 321.446 1.860 0 40 DDAB c1cnc(N2CCC[C@@]3(CN(Cc4ccoc4)CCO3)C2)cn1 96049135 IFJAJLDIICLCSO-QGZVFWFLSA-N 314.389 1.941 0 40 DDAB Cn1cccc1CN1CCC[C@H](C(=O)NCC(F)(F)F)C1 93683262 BRAZHPHLXAERBP-NSHDSACASA-N 303.328 1.916 0 40 DDAB c1cnc(N2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96062337 UIRSOPVXDMEQDK-QGZVFWFLSA-N 318.421 1.184 0 40 DDAB O=C(C1CCCC1)N1C[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 96081502 NMDITFWFRRVSCA-LSDHHAIUSA-N 300.406 1.952 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2 96484061 YRUKHSXXKWLSDG-XBFCOCLRSA-N 304.394 1.783 0 40 DDAB C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)O1 96485674 BNIJYIGRCGPPFT-KYOSRNDESA-N 305.378 1.551 0 40 DDAB CC(C)OCCS(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 96444902 SSNYDELWCYFHAM-CYBMUJFWSA-N 304.456 1.348 0 40 DDAB Cc1cccc(CNC(=O)CSc2ncc(CO)n2C)c1 96455733 VRSUGJXMWZAUER-UHFFFAOYSA-N 305.403 1.629 0 40 DDAB CN(C(=O)c1cc2cccc(F)c2[nH]1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257207047 BGDBMBWKJKXTTH-UMVBOHGHSA-N 306.337 1.653 0 40 DDAB CN1CCC[C@@H](NC(=O)c2ccccc2-n2cnc(CN)c2)C1 257319272 VRPYWDXRJRMEOJ-CYBMUJFWSA-N 313.405 1.155 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(C)nc2O)n1 257251212 JPWJIFLVVYKTMD-ZDUSSCGKSA-N 313.361 1.905 0 40 DDAB c1coc(-c2nnc(CN3CCC[C@@H](Cn4cncn4)C3)o2)c1 69625138 GMAXQYYPPVSUHY-GFCCVEGCSA-N 314.349 1.833 0 40 DDAB C[C@@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1ccc(F)cc1 69667212 KOYHYNNLOFNAHP-DOMZBBRYSA-N 321.396 1.972 0 40 DDAB CN1CCC(c2nccnc2CNC(=O)[C@H]2CCCCO2)CC1 257342534 ZPBKPOCYKOESEO-OAHLLOKOSA-N 318.421 1.471 0 40 DDAB O=C(Nc1nncs1)N[C@H](CO)Cc1c[nH]c2ccccc12 69780563 IFPPPGHVKBQGOE-JTQLQIEISA-N 317.374 1.745 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(COC)C(=O)O)cc1 252515334 IVGWJKJLPGIBIW-UMVBOHGHSA-N 312.387 1.477 0 40 DDAB CC(=O)N1CCC(C(=O)N2CC[C@H]3NCCCC[C@H]3C2)CC1 257216820 CWFAFIIJZIGRSX-JKSUJKDBSA-N 307.438 1.236 0 40 DDAB CCc1cc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)no1 257326794 WYPAXOIQGYKTSQ-INIZCTEOSA-N 316.361 1.003 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2cnccn2)n1 257291096 QFPSUMBNADGJKL-OAHLLOKOSA-N 312.377 1.240 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)Cc2nonc2C)nc(C)n1 257260502 LDDZAKCOTKHXHX-ZDUSSCGKSA-N 316.365 1.424 0 40 DDAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)cc1 256046336 FIOPFVVZPQZUMV-UHFFFAOYSA-N 301.350 1.026 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)n1 257234312 GSYXWSAILZPYGR-LBPRGKRZSA-N 310.361 1.401 0 40 DDAB CO[C@@H](CNC(=O)C(=O)NCc1ccco1)c1ccc(C)s1 96387620 JRWOPBGPNLXWOG-LBPRGKRZSA-N 322.386 1.770 0 40 DDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)CCF)C3)n1 575406527 YHQBKMGDFWYUMF-LBPRGKRZSA-N 309.341 1.283 0 40 DDAB CC(=O)N[C@H]1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C1 575241180 MXXYOAVZGFXCAF-OCCSQVGLSA-N 303.410 1.428 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H](Oc2ccncc2Cl)C1 575604840 BZMAWBZTIJZUQZ-SNVBAGLBSA-N 304.737 1.819 0 40 DDAB CC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2ccccc2)C1 585281668 OMSIDMJDRUJJQJ-GOSISDBHSA-N 318.417 1.513 0 40 DDAB O=C(c1cccc(O)c1)N1C[C@H]2OC[C@H](CN3CCCC3)[C@H]2C1 585094044 IBUKJRLMOCVXPM-USXIJHARSA-N 316.401 1.575 0 40 DDAB C[C@H](Sc1nncn1C)C(=O)N1CCn2cccc2[C@H]1C 56678269 YJDWGPSRPDKYLQ-MNOVXSKESA-N 305.407 1.701 0 40 DDAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(CCO)CC1 78958562 WUNASSXZVJPKNM-CYBMUJFWSA-N 324.808 1.028 0 40 DDAB O=C1CNC(=S)N1c1ccc2c(c1)nc1n2CCCCC1 12608570 BHQWHDNDMHFUHW-UHFFFAOYSA-N 300.387 1.984 0 40 DDAB COC(=O)/C=C1/S[C@@](OC)(N(C)c2ccccc2)N(C)C1=O 17174564 WGNKSFGEFVHWDM-PABFRNLHSA-N 322.386 1.643 0 40 DDAB Cc1ncc2n1C[C@H](C(=O)NCc1ccc(CO)c(F)c1)CC2 572530832 QARTZQMZEDHEOK-CYBMUJFWSA-N 317.364 1.702 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN([C@@H]2CCCNC2=O)CC1 1848740839 GXLDBXWDPQPSTM-CYBMUJFWSA-N 323.828 1.309 0 40 DDAB COc1ccc(NC(=O)NCCC(=O)NC[C@@H]2CCOC2)cc1 41939470 KKXYPSCUMYIXEO-LBPRGKRZSA-N 321.377 1.360 0 40 DDAB COCCCNC(=O)COc1ccc(C(=O)O)cc1Cl 13034630 WSGXSARNWNPRIE-UHFFFAOYSA-N 301.726 1.570 0 40 DDAB O=C1NCCN1C(=O)NC[C@@H](c1ccco1)N1CCSCC1 253399739 JVUBDNPECAYXPP-NSHDSACASA-N 324.406 1.104 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C 28962 DOJFQSXZVDIZAI-HNNXBMFYSA-N 310.419 1.830 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C 28960 DOJFQSXZVDIZAI-OAHLLOKOSA-N 310.419 1.830 0 40 DDAB Cc1ccc(O)c(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c1 4939792 FCDFWWDHYRAGLG-CYBMUJFWSA-N 318.329 1.865 0 40 DDAB c1cc(-c2nn3c(-c4ccncc4)nnc3s2)c2nnnn2c1 6667966 ULUZMHXFSHTQQH-UHFFFAOYSA-N 321.329 1.353 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)NCc1ccccc1Cl 10326997 XGUUXCCVTWHUTE-UHFFFAOYSA-N 320.780 1.359 0 40 DDAB COc1ccccc1CC(=O)N1CC(Oc2nccs2)C1 206921571 HJBQOHDGJGHTDG-UHFFFAOYSA-N 304.371 1.984 0 40 DDAB O=C(Cn1nc(C2CC2)ccc1=O)NCCCc1ccccc1 352214445 PNZCZVJMOLPZPI-UHFFFAOYSA-N 311.385 1.870 0 40 DDAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccccc1 157839 XJAZFJJFMDXYGF-GFCCVEGCSA-N 305.355 1.805 0 40 DDAB O=C(Cn1nnc(-c2ccco2)n1)NCCc1cccs1 40497095 MWNAFPOWCCYGES-UHFFFAOYSA-N 303.347 1.354 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2nc(C)no2)C1=O 40489685 YLYXEZYECSRWMR-OAHLLOKOSA-N 300.318 1.735 0 40 DDAB COc1cccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1OC 100794951 QUBCVHSGGWNCAA-SNVBAGLBSA-N 317.341 1.897 0 40 DDAB biogenic O=C(CN(Cc1ccco1)C1CC1)N[C@@H]1CCCCNC1=O 40528225 WMTROFIZHHJPGI-CQSZACIVSA-N 305.378 1.029 0 40 DDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cccnc1 31941726 PSPBKWUCPRPEKC-HNNXBMFYSA-N 307.419 1.019 0 40 DDAB O=S1(=O)CC[C@@H](N2CCN(c3nc4ccccc4o3)CC2)C1 51407690 WUXCXTQQCLCXCJ-GFCCVEGCSA-N 321.402 1.137 0 40 DDAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1Cn1cccn1 20606343 AIOBZKASUSSCOZ-OCCSQVGLSA-N 319.386 1.728 0 40 DDAB O=C(NCc1cccs1)C1=NN(c2ccccc2)C(=O)CN1 32672005 LNMVEQUJLPPADN-UHFFFAOYSA-N 314.370 1.314 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 102599154 OLHMEUBJVMFKGS-KKOKHZNYSA-N 320.732 1.147 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)s1 32931238 NDUTVOKVANJISY-MNOVXSKESA-N 308.403 1.891 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc(O)cc1)C(=O)N2 53107313 VZOOGCLCSADDJG-NTUHNPAUSA-N 316.338 1.532 0 40 DDAB CCN1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 22455600 LXRGCJHEAQAJIB-UHFFFAOYSA-N 314.433 1.622 0 40 DDAB CN(CC(=O)NCCOc1ccccc1F)C(=O)c1ccco1 23038936 XJQGPNNLHJVHFU-UHFFFAOYSA-N 320.320 1.686 0 40 DDAB Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)N1CCOCC1 54263085 RBCCULQPGCMBTC-OAHLLOKOSA-N 318.373 1.585 0 40 DDAB COC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 150472 HYWCPXNSJSJZKQ-HTQZYQBOSA-N 307.375 1.712 0 40 DDAB Cn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1 533554 RMDBQDQUGXNAGF-UHFFFAOYSA-N 312.358 1.490 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2n1 106166525 IBAGSNMZCBOEIU-GJZGRUSLSA-N 311.385 1.828 0 40 DDAB CNC(=O)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O 1391167 AUOUHYVJJFEJOE-UHFFFAOYSA-N 322.267 1.578 0 40 DDAB Cc1ccccc1/C=C/c1nc(SCc2n[nH]c(=O)[nH]2)n[nH]1 95459941 NJPJXVVRFKRQOW-VOTSOKGWSA-N 314.374 1.987 0 40 DDAB COCCN([C@H]1CCSC1)S(=O)(=O)N1CCCC[C@@H]1C 106510525 QWASRODAFNNWNR-STQMWFEESA-N 322.496 1.560 0 40 DDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 106644902 RWMWGEHODUMOFI-NEBZKDRISA-N 316.401 1.911 0 40 DDAB COc1ccc(OC)c(CN(CCO)C(=O)c2cc[nH]n2)c1 78647001 KQYXXQZMDGZOIZ-UHFFFAOYSA-N 305.334 1.062 0 40 DDAB C[N+]1=C2SC=C(CN3C(=O)c4ccccc4C3=O)N2CC1 1278510 KUEKEUGXHUGVQW-UHFFFAOYSA-N 300.363 1.185 0 40 DDAB CC[C@@H]1Sc2ccccc2N(CC(=O)NCCOC)C1=O 2964993 NNLGNNDTCMYYIZ-LBPRGKRZSA-N 308.403 1.667 0 40 DDAB Cc1cc(NC(=O)CN2CCC(N3CCCCC3)CC2)on1 56494717 HHZDEBBJBIYFDF-UHFFFAOYSA-N 306.410 1.872 0 40 DDAB COCCNC(=O)NC(=O)CN1CCc2sccc2[C@@H]1C 57373711 CBRJPYBFMFDPRD-JTQLQIEISA-N 311.407 1.139 0 40 DDAB CC1CCN(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)CC1 44298316 XSUHHMZBHPRUNW-ZDUSSCGKSA-N 315.439 1.449 0 40 DDAB Cn1c(S[C@H]2CCOC2=O)nc2sc3c(c2c1=O)CCC3 3373695 AVXFKNNGTUBKFD-VIFPVBQESA-N 322.411 1.891 0 40 DDAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 44890790 SLOGJULFTNWINB-UONOGXRCSA-N 303.337 1.944 0 40 DDAB Cc1ccc(CNC(=O)NCc2nnc3n2CCCC3)s1 44968254 BPFNLHUDSNZINT-UHFFFAOYSA-N 305.407 1.984 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)NCCNC(=O)OC(C)(C)C 58377833 IWSTVMFGOJLZIN-UHFFFAOYSA-N 316.789 1.636 0 40 DDAB CN(Cc1ccccn1)C(=O)CNC(=O)OCc1ccccc1 58314511 RUSYHBPXBYYOJO-UHFFFAOYSA-N 313.357 1.966 0 40 DDAB CCO[C@H](C)C(=O)NC1CCN(C(=O)c2ccoc2C)CC1 58331049 RTWOEEVXGYZKGN-GFCCVEGCSA-N 308.378 1.734 0 40 DDAB CCN1C(=O)C[C@@H](N2CCN(CCc3cccs3)CC2)C1=O 23375559 QKMKBSMKGJLLSI-CQSZACIVSA-N 321.446 1.056 0 40 DDAB C[C@@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@H](C)CO1 45447383 ILYXIGGOLRFOHM-VXGBXAGGSA-N 315.373 1.112 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2F)CC1 28909440 NSNRBLUGWWNKRU-HOTGVXAUSA-N 322.380 1.182 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(F)ccc1F 45896207 WDGYXCGBVMXXPF-LBPRGKRZSA-N 321.287 1.803 0 40 DDAB O=C(NCCCCCO)C(=O)Nc1ccc(F)c(Cl)c1 170389818 NJMAZLURIZIWRC-UHFFFAOYSA-N 302.733 1.696 0 40 DDAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)N1CCNC1=O 12996959 QAHPZKDHTASJKZ-VIFPVBQESA-N 323.422 1.570 0 40 DDAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)on1 28575231 YFQASAOEJAUNFB-UHFFFAOYSA-N 307.394 1.748 0 40 DDAB Cc1cnn(C[C@H]2CN(C(=O)Nc3cc(C)nn3C)CCO2)c1 171837167 NDYLEPRAKZALNW-CYBMUJFWSA-N 318.381 1.166 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccco2)cc1 12928217 NNQQWPSEZWUKTJ-UHFFFAOYSA-N 308.359 1.296 0 40 DDAB O=S1(=O)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 63111025 BYEMVKLIBWQOAU-UHFFFAOYSA-N 309.309 1.816 0 40 DDAB COC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)o1 6054595 CAZQMBWKLQMMHV-JTQLQIEISA-N 307.375 1.980 0 40 DDAB COc1ccccc1CNCc1cnc(N2CCOCC2)nc1 65519193 MPKOKEQXQTXZRC-UHFFFAOYSA-N 314.389 1.612 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1 88059511 IGABJXFFSDHIQO-QMMMGPOBSA-N 309.218 1.976 0 40 DDAB O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 6566109 IEMGTWXFCBVWDG-OCCSQVGLSA-N 321.354 1.048 0 40 DDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1COc2ccccc2C1 66657309 NPZNOHSZPIAOFQ-OLZOCXBDSA-N 320.414 1.227 0 40 DDAB CCOC(=O)CSc1nnnn1-c1ccccc1OCC 6942576 WWUCCBSMZIBXKY-UHFFFAOYSA-N 308.363 1.716 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 71871160 NQUBXCQGXQMQDN-ZDUSSCGKSA-N 322.836 1.897 0 40 DDAB CC(C)[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 71830014 KNCDGCAWVIGIET-CYBMUJFWSA-N 321.421 1.888 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nn2)C1 71825630 ALJINRWWAQFFJI-AWEZNQCLSA-N 300.362 1.908 0 40 DDAB COc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1 21538596 FBQVDSPXOWIXAS-UHFFFAOYSA-N 314.297 1.962 0 40 DDAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1 71847494 IHLASULHYGWECV-VIFPVBQESA-N 315.295 1.767 0 40 DDAB CC[C@@](C)(NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)OC 69416782 ISFIKWRUIXJDEQ-LKFCYVNXSA-N 312.391 1.324 0 40 DDAB Cc1nnc2n1CCN(C(=O)Cc1ccc(-n3cccn3)cc1)C2 69453533 XBNKEBNLZNFJCB-UHFFFAOYSA-N 322.372 1.357 0 40 DDAB Cc1ccc2oc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)cc2n1 69416010 NTYJAJHEWWTONE-STQMWFEESA-N 317.389 1.975 0 40 DDAB C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 94345718 APEVGEIMINCIOT-ONGXEEELSA-N 322.352 1.982 0 40 DDAB O=C1CC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)N1 69808704 GIURRDMHXDCJPD-CYBMUJFWSA-N 322.792 1.741 0 40 DDAB O=C(Cc1ccccc1)N1CCC2(CC1)NCCc1nc[nH]c12 8737936 PJQVYLNRMWPQOK-UHFFFAOYSA-N 310.401 1.616 0 40 DDAB c1cc2c(cc1C1=NN=C(NC[C@H]3CCCO3)SC1)OCO2 8943902 LMSHVGCSGRVODS-LLVKDONJSA-N 319.386 1.991 0 40 DDAB CN(CC(=O)NC[C@@H]1Cc2ccccc21)c1ncnc2[nH]cnc12 95954307 FVQLLJILPPUQCN-LBPRGKRZSA-N 322.372 1.245 0 40 DDAB CN1CCN(c2cc(C(=O)NC3CCSCC3)ccn2)CC1 78999656 LSKQCAVBOLZIBQ-UHFFFAOYSA-N 320.462 1.459 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72231915 NCPLEMRTEDFWBO-SECBINFHSA-N 307.379 1.812 0 40 DDAB COCc1ccc(CNc2ncnc3c2cnn3CCO)cc1 97199999 GWXRGFFDMBRHME-UHFFFAOYSA-N 313.361 1.577 0 40 DDAB CCOC(=O)CN(CC)C(=O)Cc1ccc(NC(C)=O)cc1 97497283 GUEDIPGODRJMAG-UHFFFAOYSA-N 306.362 1.599 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(c1ncnc3[nH]ncc13)CC2 95400831 MNNMZOJPWQKWAE-NWDGAFQWSA-N 303.366 1.109 0 40 DDAB CNC(=O)CCNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O 75123986 KGLJTFXGEOBPHX-UHFFFAOYSA-N 313.357 1.216 0 40 DDAB CC(C)COc1cncc(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 89920445 VGLQGTHYIHZWPD-KBPBESRZSA-N 318.421 1.816 0 40 DDAB O=C(NCCC(F)(F)F)Nc1cnn(-c2ncccn2)c1 72561878 RMSSREFWIBULPH-UHFFFAOYSA-N 300.244 1.736 0 40 DDAB C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79393065 YCCBAQBDDAFRQG-AEGPPILISA-N 319.405 1.687 0 40 DDAB COCCCn1c(O)nc2c(-c3ccccn3)nsc2c1=O 67350308 RQFHBRJIQGBBJE-UHFFFAOYSA-N 318.358 1.657 0 40 DDAB CCCn1cc(N[C@H]2CCCN(c3ccn(C)n3)C2=O)cn1 186322359 PVQRHEQDPCFYSS-ZDUSSCGKSA-N 302.382 1.634 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(N)COC 218511874 ILLLMTZITQXMCB-AVGNSLFASA-N 303.811 1.584 0 40 DDAB CC(=O)N1CCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 72379290 UXVGRHQUFCCHTG-GFCCVEGCSA-N 301.350 1.115 0 40 DDAB CC(=O)N1CCC(C(=O)/N=c2/sc3ccccc3n2C)CC1 30784037 VGAFKOCLWCLLCN-WUKNDPDISA-N 317.414 1.926 0 40 DDAB CC(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 72368094 HESYNSOUQBQKON-OAHLLOKOSA-N 301.390 1.947 0 40 DDAB N[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218559457 SPGUCVKARSNSDL-PMPSAXMXSA-N 321.373 1.455 0 40 DDAB CCn1nc(C)c(CCC(=O)NCCCN2CCOCC2)c1C 71195409 ISENTJYGUKLOJU-UHFFFAOYSA-N 322.453 1.291 0 40 DDAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)c1ccco1 72325015 IVAYPPZIDUETOL-NSHDSACASA-N 301.346 1.534 0 40 DDAB C[C@H]1CN(CCOc2nc(Cc3ccc(F)cc3)no2)CCO1 188315686 MACNWDDLWZRTMJ-LBPRGKRZSA-N 321.352 1.899 0 40 DDAB COc1ccc(F)c2[nH]c(C(=O)N3C[C@H](O)C4(CC4)C3)cc12 527253990 XLCMVZHFMLGRGH-ZDUSSCGKSA-N 304.321 1.913 0 40 DDAB CCOCCCNC(=O)CCc1nc(-c2cccnc2)no1 225835047 XESGFJVVANKBGT-UHFFFAOYSA-N 304.350 1.607 0 40 DDAB CC(C)(C)c1nnc2n(c1=O)NC(=O)[C@@H](Cc1ccccc1)N2 226820804 USVKKGHVEQGIEJ-LLVKDONJSA-N 313.361 1.043 0 40 DDAB CCCCn1c(=O)[nH]c(C(=O)O)c(CN2CCCCC2)c1=O 222652809 MWQVOFNHESSMME-UHFFFAOYSA-N 309.366 1.021 0 40 DDAB C[C@@H](C(=O)NCCNc1ncnc2c1cnn2C)c1ccccc1 195567409 LNGDMQPBCLSCBF-GFCCVEGCSA-N 324.388 1.695 0 40 DDAB Cc1cc(C)nc(NCCC(=O)N[C@H]2CCOC(C)(C)C2)n1 85878277 VWXUWBTZKVHJRC-ZDUSSCGKSA-N 306.410 1.969 0 40 DDAB biogenic NC(=O)c1cc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n[nH]1 225559925 SIGQBNRRZZQKBN-GFCCVEGCSA-N 302.378 1.571 0 40 DDAB CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)Nc3cccnc3)[C@@H]2C1 96043371 YVQDRVKTZIMIPA-QLFBSQMISA-N 303.362 1.294 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cncn1-c1ccccc1)CC2 97198926 MHUOBSDYJITVBL-ZDUSSCGKSA-N 322.372 1.517 0 40 DDAB CC(C)N1CCOC[C@]2(CCCN(C(=O)c3nccn3C)C2)C1 96076259 YSURDIBCCORALR-QGZVFWFLSA-N 320.437 1.383 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(Cc4cccnc4)C3)C2=O)cn1 96050529 VDYZOUXXDIFNRF-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB COc1ncccc1CN1C[C@H]2CN(c3ncccn3)C[C@H]2C1 96182374 IPWHNNDKBYEOPR-GASCZTMLSA-N 311.389 1.448 0 40 DDAB C[C@H](O)C[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1Cl 96487123 QATQOZPSOJOGOP-NWDGAFQWSA-N 324.808 1.832 0 40 DDAB Cn1ncc(Br)c1CS(=O)(=O)N1CCCC1 96524432 CEBMJZXDQTUOET-UHFFFAOYSA-N 308.201 1.108 0 40 DDAB CN(C)C(=O)[C@H]1C[C@@H]2CN(C(=O)NCC3CCCCC3)C[C@H]1O2 96252856 FLNVUMCGJMFMNE-QLFBSQMISA-N 323.437 1.454 0 40 DDAB CC(C)C[C@H]1COCCN1C(=O)Nc1ccn(CCN(C)C)n1 96435376 HKYWXRGMGQGVGX-AWEZNQCLSA-N 323.441 1.724 0 40 DDAB CCn1nc(C)c2nnn(CC(=O)c3ccc(F)cc3)c(=O)c21 96182586 KQBQREMNRQKSNB-UHFFFAOYSA-N 315.308 1.338 0 40 DDAB O=C(c1ccnnc1)N1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 96161402 LDTXCWFBHKPOFB-CRAIPNDOSA-N 322.368 1.223 0 40 DDAB COCC(=O)N1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 96201797 YRCVDGBJWFHTTA-IAQYHMDHSA-N 308.403 1.596 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(F)cc1 96181723 JMRRDEVETNQWFM-CVEARBPZSA-N 320.364 1.783 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1 96183867 RPDHPSKWAONXSK-CABCVRRESA-N 320.364 1.216 0 40 DDAB C[C@@H](NC(=O)C1CCN(C2CCCCC2)CC1)c1n[nH]c(=O)[nH]1 95363124 SAQUGIXKDUBZMH-LLVKDONJSA-N 321.425 1.320 0 40 DDAB Cc1cc(CN2CCn3cc(C(=O)N(C)C)nc3[C@H]2C)no1 247985319 KLLAOSABJSBPPS-LLVKDONJSA-N 303.366 1.458 0 40 DDAB O=C(c1ccc2c(c1)CCC2)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257251139 JPNZELOFSGNKAV-WMZOPIPTSA-N 301.386 1.931 0 40 DDAB CNc1ncccc1CN1CCO[C@@H](CCc2ccncn2)C1 257342110 ZNDCIMYUOJUDCU-INIZCTEOSA-N 313.405 1.747 0 40 DDAB Cc1ncc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1 257294466 QUHTXTICAPKDLN-HUUCEWRRSA-N 317.320 1.188 0 40 DDAB COc1cccc(OC)c1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 257259562 KYXPYWAFPJJFEQ-IRXDYDNUSA-N 307.390 1.820 0 40 DDAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cncn2C)nc1 257240509 HTUQOKDGKOZLNX-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB NC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252517076 ZIAHXLVQMCPXBT-XHSDSOJGSA-N 302.399 1.283 0 40 DDAB Cc1ncccc1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257236385 HBYHYIAIEHKFKX-OAHLLOKOSA-N 312.373 1.654 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1 257275238 NOMMAGRSOQVPDQ-HNNXBMFYSA-N 314.393 1.249 0 40 DDAB COCC(=O)N1C[C@@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 253472985 QWGZESQTTMZQRP-KBPBESRZSA-N 301.346 1.734 0 40 DDAB O=C(c1cc2ccccc2oc1=O)N1CCc2ncncc2C1 96122742 HZYCXPQWUQYKTE-UHFFFAOYSA-N 307.309 1.782 0 40 DDAB O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1Cc2cc(F)ccc2O1 585123854 HJIMPKJVQBJFKX-BYCMXARLSA-N 317.320 1.499 0 40 DDAB Cc1ccc(NCCNC(=O)c2cc(C)n(C(C)(C)C)n2)nn1 69743520 BAEYMIRYVLIBOG-UHFFFAOYSA-N 316.409 1.887 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1 72231954 NKXNFAIJFBGQIR-NEPJUHHUSA-N 318.377 1.095 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)C[C@@H](C)c1ccccc1 79095658 KTVRJFKXUDFYHC-OLZOCXBDSA-N 308.407 1.390 0 40 DDAB COc1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 80786786 AGJXQHMXJUJIBL-UHFFFAOYSA-N 318.406 1.541 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc12 61403538 SFLCLNNXWIFWHX-ZWNOBZJWSA-N 303.366 1.966 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3cncs3)CC2)nn1 97139372 QPHHEUAUZNNZSS-UHFFFAOYSA-N 307.379 1.358 0 40 DDAB C[C@@H](c1ccncc1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100018599 IZTDDJXWSQKAAY-PHCHWBIASA-N 300.314 1.009 0 40 DDAB Cc1cnn(C[C@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)c1 106665856 YTRIOKNDVXABEV-TZMCWYRMSA-N 317.393 1.914 0 40 DDAB Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2)nc1=O 5941048 OJCXUXBJJMZAOT-UHFFFAOYSA-N 310.766 1.858 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 11999759 OHRBAFYCAPUXEZ-WDEREUQCSA-N 316.835 1.989 0 40 DDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)NC[C@@H]1CCCO1 12444005 CKIYCKQYVROTFX-ZDUSSCGKSA-N 319.336 1.929 0 40 DDAB C[C@H](c1ccccn1)N1CCN(C(=O)C2(O)CCCCC2)CC1 155827606 MCWSXCQMFFCKAG-OAHLLOKOSA-N 317.433 1.982 0 40 DDAB COCCN1CCC(N2CCN(c3ccccc3)CC2)CC1 244975197 IGGGKHHYUXZXAU-UHFFFAOYSA-N 303.450 1.919 0 40 DDAB Cc1nnc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)s1 23140635 RRQFXBLIHZRZNW-NSHDSACASA-N 324.431 1.810 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 1889130309 CCYYYPGVIUWXJN-CQSZACIVSA-N 312.410 1.872 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN([C@H]2CCCNC2=O)CC1 1848740840 GXLDBXWDPQPSTM-ZDUSSCGKSA-N 323.828 1.309 0 40 DDAB Cn1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)cn1 25310847 UPVUOVKAEHZLEN-LBPRGKRZSA-N 305.313 1.297 0 40 DDAB O=C(O)c1cccc(CN2CCC3(CC2)OCCC[C@H]3O)c1 257278376 OCAAIECVSSYYQO-OAHLLOKOSA-N 305.374 1.891 0 40 DDAB CC1CC(C(=O)N2CCOC[C@]3(C[C@@H](CN(C)C)CO3)C2)C1 1565548508 DGWMWPKMDHDKIR-INTUILBWSA-N 310.438 1.228 0 40 DDAB O=C1C[C@H](NS(=O)(=O)c2cccs2)CN1c1ccccc1 4497706 QEPPWWSNJAJINP-NSHDSACASA-N 322.411 1.832 0 40 DDAB COc1ccccc1CNC(=O)c1nc(-c2cnccn2)no1 39976399 AJCOLCPCLDWCFI-UHFFFAOYSA-N 311.301 1.465 0 40 DDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncccn2)C1 585605968 MGZKXCKQRCGPLY-UHFFFAOYSA-N 320.356 1.232 0 40 DDAB c1ccc(-n2nnnc2SCc2cn3cccnc3n2)cc1 151948 XBIRJEIWYOSQBA-UHFFFAOYSA-N 309.358 1.997 0 40 DDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COc1ccc(F)cc1 100702314 HOXWYKKZXVXTNW-AEGPPILISA-N 321.348 1.741 0 40 DDAB O=C(CNC(=O)C1(c2cccc(Cl)c2)CC1)Nc1cn[nH]c1 51413822 ASUHYMUMTPTXSG-UHFFFAOYSA-N 318.764 1.850 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H]2COc3ccccc3O2)c(=O)[nH]1 32769051 LMXKNPBTTZZXBE-HNNXBMFYSA-N 314.341 1.448 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 32827198 KZHZMZNTFGTWET-MNOVXSKESA-N 314.407 1.838 0 40 DDAB COc1ccccc1CNC(=O)N1CCC2(CC1)OCCO2 32923862 RBBXDRCFWKRKBB-UHFFFAOYSA-N 306.362 1.744 0 40 DDAB C[C@@H](OC(=O)Cc1csc(-c2cccc(F)c2)n1)C(N)=O 22465028 SJFCPDLDFYXJQQ-MRVPVSSYSA-N 308.334 1.909 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 23017339 LZBNPXWVZUBHCA-VXGBXAGGSA-N 310.419 1.751 0 40 DDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 25086299 LDJXIYSFYUKUOV-ZDUSSCGKSA-N 311.341 1.832 0 40 DDAB CCN(CC)[C@@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 78952734 SXUZUFJLSXRCMS-MRXNPFEDSA-N 305.422 1.805 0 40 DDAB C[C@H](O)CN1CCN(Cc2nc(-c3cccnc3)no2)C[C@@H]1C 106869287 FHRSGEPCHWFKKZ-STQMWFEESA-N 317.393 1.019 0 40 DDAB CN(CC(=O)N1C[C@@H]2CCC[C@H]2C1)c1ncnc2nc[nH]c12 107516206 VIWUUQYIIQHRQC-QWRGUYRKSA-N 300.366 1.048 0 40 DDAB Cc1cnc(C(=O)N[C@@]23C[C@H]2CN(C(=O)c2ccco2)C3)cn1 106906473 WTCFLWLDIKFEIX-MEDUHNTESA-N 312.329 1.023 0 40 DDAB O=C(Nc1nncs1)N1CCN(c2ncccc2Cl)CC1 58023048 SNTPVBQPWZYLIC-UHFFFAOYSA-N 324.797 1.941 0 40 DDAB CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(SC)cc1 58198504 HCUKADPBYYCXDF-GFCCVEGCSA-N 314.432 1.308 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 58162134 VQPNPTVDTLOBSY-WFASDCNBSA-N 316.357 1.556 0 40 DDAB C[C@H](NC(=O)CCc1ccc(F)cc1)C(=O)N1CCOCC1 58283779 NMMFAWSDLBMVAA-LBPRGKRZSA-N 308.353 1.122 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)N1CCSCC1 44967756 AZSGSJVSMDSOJL-UHFFFAOYSA-N 306.435 1.940 0 40 DDAB Cc1nc2c(cc1C(=O)NCC(C)(C)N(C)C)c(C)nn2C 44910835 PNENGBCTVKVZKX-UHFFFAOYSA-N 303.410 1.655 0 40 DDAB COC(=O)c1ccc(Cn2cnc3c(N(C)C)ncnc32)cc1 58341252 HFNMGAZWFIEVEX-UHFFFAOYSA-N 311.345 1.727 0 40 DDAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCOCC1 100467042 SVTNZVZWTDZKDD-IIDMSEBBSA-N 323.481 1.239 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2nccs2)CC1 28963522 HTZJZUMOPAKUMZ-CYBMUJFWSA-N 320.393 1.631 0 40 DDAB COc1cc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)ccn1 29195838 ZYSBLLNBEKVAJZ-UHFFFAOYSA-N 317.389 1.355 0 40 DDAB Cc1cnc(C(=O)NCC2(N3CCSCC3)CCCC2)cn1 29371663 FYZDKTQZJOMYBH-UHFFFAOYSA-N 320.462 1.876 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)NCc1c(C)noc1C 60065669 QLNHGZQANPJLOB-UHFFFAOYSA-N 301.346 1.646 0 40 DDAB CCn1cnnc1CNC(=O)N1CCC[C@H](C(F)(F)F)C1 46965481 GJIZFQKJWTXNIE-VIFPVBQESA-N 305.304 1.782 0 40 DDAB C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C[C@H](C)O1 47047061 FUCFYHCTHSUEOF-RYUDHWBXSA-N 300.358 1.706 0 40 DDAB Cn1ccnc1SC[C@H](O)COCc1ccc2c(c1)OCO2 61715372 NAOFGYJCEWHWNG-GFCCVEGCSA-N 322.386 1.819 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)nc2)CN1 48265319 LGLVHZCHATURGR-AWEZNQCLSA-N 316.405 1.214 0 40 DDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(C(=O)O)cc1 101711089 XAKITLZCCJWOOY-JTQLQIEISA-N 301.298 1.578 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62466122 HKJGSLGPOOZROJ-VZANTVGXSA-N 312.435 1.394 0 40 DDAB Cc1c(C(=O)OCCN2C(=O)c3ccccc3C2=O)cnn1C 13296735 HUKWUMRBQVNJCG-UHFFFAOYSA-N 313.313 1.182 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1 13341218 RZAVLYDYOJAJOT-CYBMUJFWSA-N 311.359 1.517 0 40 DDAB CNC(=O)C1CCC(NC(=O)Nc2ccc(OC)nc2)CC1 63321008 OIKYJIDTJOQXPV-UHFFFAOYSA-N 306.366 1.517 0 40 DDAB CS(=O)(=O)CCNC(=O)NCCc1cccc(Cl)c1 49517973 GLDSIZKGXQWHGZ-UHFFFAOYSA-N 304.799 1.226 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 88375279 IOONVZPCAXCALZ-NSHDSACASA-N 318.156 1.848 0 40 DDAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)NC(N)=O 14076267 YMOHROMMASVWHN-QMMMGPOBSA-N 311.411 1.603 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 14082981 NUVZCKJYUANHFP-UHFFFAOYSA-N 307.375 1.956 0 40 DDAB O=C1CN(C(=O)CN2CCC[C@@H]2c2ccc(Cl)cc2)CCN1 65520098 AVRVDQZQVCTDMC-CQSZACIVSA-N 321.808 1.435 0 40 DDAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)NC(=O)NC1CCCC1 14161437 CPCFMHZTSPIROJ-SNVBAGLBSA-N 320.345 1.706 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nccs1 6506819 CEBYKKGVAAJLKR-UHFFFAOYSA-N 300.343 1.951 0 40 DDAB O=C(O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 4689254 OUVFCIAFBSVLQC-CMDGGOBGSA-N 307.327 1.856 0 40 DDAB O=C(COC(=O)c1ccncc1)NC(=O)NC1CCCCC1 5718141 COUHDZJMCSOJSH-UHFFFAOYSA-N 305.334 1.397 0 40 DDAB C[C@H]1Sc2ccc(C(=O)N3CCN(C)CC3)cc2NC1=O 9591933 VUOXPMBGGYRMDT-SNVBAGLBSA-N 305.403 1.507 0 40 DDAB Cc1cc(C)n(C2CN(C[C@H](O)COc3ccc(F)cc3)C2)n1 71880628 UIFHTUBYEABUHB-INIZCTEOSA-N 319.380 1.936 0 40 DDAB O=C(Cn1nnc(COc2ccccc2)n1)NCc1ccccc1 7943378 PILUBGFWXRRVQA-UHFFFAOYSA-N 323.356 1.569 0 40 DDAB COc1ccccc1CCNC(=O)N1CCC[C@@H](N(C)C)C1 83847926 UIFGJGPLXICUHZ-OAHLLOKOSA-N 305.422 1.973 0 40 DDAB Cc1n[nH]cc1CNC(=O)c1cn(-c2ccc(F)cc2)nn1 69329561 XWUJFEQFYMBYPD-UHFFFAOYSA-N 300.297 1.368 0 40 DDAB O=C(COc1ccc(Cl)cc1)N1CCOC[C@@H]1c1ncon1 95981295 FSDKOWZBKOUMLK-GFCCVEGCSA-N 323.736 1.702 0 40 DDAB CC[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1 69451200 LUFHDEVSMKSMNK-CQSZACIVSA-N 315.377 1.588 0 40 DDAB CN1C[C@@H](NC(=O)c2cc(Cl)cc3cccnc23)CC1=O 69484176 MODCJMYZLPLYHJ-NSHDSACASA-N 303.749 1.849 0 40 DDAB Cc1cc(NC(=O)CN2CCc3c(nc(C(C)C)n3C)C2)on1 69625037 ADNOYMTZUGNUPH-UHFFFAOYSA-N 317.393 1.837 0 40 DDAB C[C@H]1Oc2c(cccc2C(=O)NCc2nccs2)NC1=O 69669314 GYEWXNHISBXUNK-MRVPVSSYSA-N 303.343 1.793 0 40 DDAB c1ncn(C[C@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 69621557 UKOQCZUUVXUWNB-CQSZACIVSA-N 300.362 1.714 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C)n(C)n1 95974391 QRIRYTHFHUEOSQ-UHFFFAOYSA-N 304.398 1.909 0 40 DDAB CCCc1nn(Cc2cc(=O)n3c(C)csc3n2)c(=O)o1 95966483 NGFXJARGYUYEAW-UHFFFAOYSA-N 306.347 1.215 0 40 DDAB Nc1nc(Cl)cc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 69816056 JEQMZEPCJGFSRK-NSHDSACASA-N 317.780 1.925 0 40 DDAB CN(CC1CCN(CCO)CC1)c1nccc(C(F)(F)F)n1 69950511 YPRIIPASULWQAQ-UHFFFAOYSA-N 318.343 1.636 0 40 DDAB Cc1csc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)n1 72290168 UIOVAVXBLUYGEN-JTQLQIEISA-N 322.390 1.057 0 40 DDAB Cc1cc[nH]c(=O)c1C(=O)NCc1cc(=O)[nH]c2ccccc12 97049668 DSIDBDAZGNEEAZ-UHFFFAOYSA-N 309.325 1.455 0 40 DDAB CC(C)NS(=O)(=O)c1cccc(CNCc2cnn(C)c2)c1 97197976 ZXKFTOHBERKOHM-UHFFFAOYSA-N 322.434 1.397 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2cccnc2)[C@@H](C)C1 72300639 YMQWGRJHDJMUKY-ZFWWWQNUSA-N 311.451 1.620 0 40 DDAB CCN1C(=O)N[C@@](C)([C@H]2CCCN(CCOCC3CC3)C2)C1=O 95402631 QFIVQMNOWLSRNT-YOEHRIQHSA-N 323.437 1.455 0 40 DDAB COc1cc(OC)c(OC)cc1/C=C/C(=O)NCC(=O)C1CC1 95458509 VQWDOAALCYBMAW-VOTSOKGWSA-N 319.357 1.821 0 40 DDAB Cc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c(=O)[nH]1 75118257 HEPIYBOXWZPVMA-UHFFFAOYSA-N 322.368 1.842 0 40 DDAB C[C@H](CNC(=O)NCCc1ccccn1)CC1(C)OCCO1 75110043 GTJNNMFXOZUZMG-ZDUSSCGKSA-N 307.394 1.713 0 40 DDAB COCCN1CCCN(C(=O)CNc2c(C)cccc2C)CC1 76041548 LDVRGJJXOMAEMG-UHFFFAOYSA-N 319.449 1.896 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCCc3ccccn3)CCO2)n1 76045091 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Cc1ccc(CN2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)o1 585112613 RWYQJXRYGASRTE-CQSZACIVSA-N 317.393 1.613 0 40 DDAB CC(C)CCC(=O)N1CCn2cc(CC(=O)N(C)C)nc2[C@@H]1C 585096425 NCUDQYVWXDBEAJ-ZDUSSCGKSA-N 320.437 1.853 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CC[C@@H](CF)C1 829230664 CRADANYJLZJFPP-ZDUSSCGKSA-N 315.348 1.728 0 40 DDAB O=C(c1ccccn1)N1CCC[C@H]2CN(c3ncccn3)C[C@H]21 1066210918 IIEYEONPUXCIDM-DZGCQCFKSA-N 309.373 1.613 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 47729697 BHGAUTRYDKKJIA-UHFFFAOYSA-N 320.393 1.330 0 40 DDAB CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC2CCC(C)CC2)C1 76709318 QKZMUTLIDIBFCT-FQSHHYAASA-N 309.454 1.670 0 40 DDAB NC(=O)c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)nn1 89793217 MKJBXFYHRXNCKE-UHFFFAOYSA-N 316.336 1.762 0 40 DDAB CCC[C@@H](SC[C@H](O)C(=O)O)c1c(OC)cc(=O)oc1C 1772591698 LOWKEDJATFYGFQ-GXSJLCMTSA-N 316.375 1.977 0 40 DDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1cccs1 238927595 UTUNPTRMOBXOEY-JTQLQIEISA-N 300.409 1.343 0 40 DDAB COc1ccc(OC)c(C2=NO[C@H](C(=O)NCC(C)C)C2)c1 5030707 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CC(C)(C)c1nnc(N2CCO[C@H](C(=O)NC3CC3)C2)s1 1889070486 FYQJLMUTVIVBBF-JTQLQIEISA-N 310.423 1.319 0 40 DDAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NCc1ccco1 22543731 NHKXTLVNXXWAPT-SNVBAGLBSA-N 308.363 1.658 0 40 DDAB CNC(=O)CN1CCC(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 25232908 AGRUVNWDHXPGHS-ZBFHGGJFSA-N 321.465 1.551 0 40 DDAB COc1cc(OC)nc(N2CCN(Cc3ccccc3)CC2)n1 25337999 ZILSVHZWLJUZJV-UHFFFAOYSA-N 314.389 1.816 0 40 DDAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccn(C)c1 95448724 JBWVGGHLPOJMAH-KGLIPLIRSA-N 309.410 1.749 0 40 DDAB COCc1cnc2n1CCN(C(=O)CC1(OC)CCC1)[C@@H]2C 1614933394 HSUQBZSDEYQIKB-GFCCVEGCSA-N 307.394 1.892 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 1565543978 PVQDBWYOWZAZAZ-UHFFFAOYSA-N 315.364 1.684 0 40 DDAB O=C(N1CCCn2c(nnc2Cn2cccn2)C1)C1(F)CCC1 1565547026 DFKOQWMBWCCBTR-UHFFFAOYSA-N 318.356 1.147 0 40 DDAB O=C([C@@H]1CN(C(=O)C2(F)CCC2)[C@@H]2CCO[C@H]12)N1CCCC1 1565555800 PPDNYXRGPGWOKB-JHJVBQTASA-N 310.369 1.117 0 40 DDAB O=C(NC1CCCC1)c1ncn2c1CN(C(=O)CCF)CCC2 1565553882 FZTXJHIHUYIISB-UHFFFAOYSA-N 322.384 1.647 0 40 DDAB CC(C)CN1C[C@@]2(COCCN(Cc3cccnc3)C2)CC1=O 1565542645 HDUULLUMKHKZIB-GOSISDBHSA-N 317.433 1.789 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccccc1C(N)=O 585149881 WUZPVQZOWWPGMX-CMPLNLGQSA-N 303.362 1.132 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(F)cc3)C[C@@]23C=C[C@H]1O3 100018559 GFJJPJYMGSTRIF-IATRGZMQSA-N 303.289 1.192 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)NCCCN1CCOCC1 20567958 JMIZFRCTXUXTGB-HNNXBMFYSA-N 324.396 1.822 0 40 DDAB O=S(=O)(c1cn[nH]c1)N1CCc2[nH]c3ccc(F)cc3c2C1 53646081 HRWDYZFOEPRYQP-UHFFFAOYSA-N 320.349 1.777 0 40 DDAB C[C@H](C(=O)N(C)CC(=O)NCCC1=CCCCC1)n1cccn1 54362529 FOZAWARIWKBXOB-CQSZACIVSA-N 318.421 1.909 0 40 DDAB NC(=O)c1cnc(NCCNC(=O)c2ccoc2)c(Cl)c1 54980965 IQEGEGAFGXXDSL-UHFFFAOYSA-N 308.725 1.269 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)OCc2ccccc2)C1 1857794678 KBWRRUGYMQKSGW-ZIAGYGMSSA-N 321.373 1.958 0 40 DDAB Nc1ccccc1-c1nnn(CC(=O)Nc2cccc(F)c2)n1 414512 VFRDGYYPOAHSFR-UHFFFAOYSA-N 312.308 1.700 0 40 DDAB C=CC(=O)NCCNC(=O)/C=C/c1cnc(C(C)(C)C)s1 96430969 WRDAHDSJJDTRBH-VOTSOKGWSA-N 307.419 1.872 0 40 DDAB Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCCC2)n1 177363 SARKAMHMBWCQDO-UHFFFAOYSA-N 322.434 1.336 0 40 DDAB COc1ccc(-c2nnc(SCC(=O)N(C)C)o2)cc1OC 2216402 MBBABYLBLSSGIE-UHFFFAOYSA-N 323.374 1.934 0 40 DDAB CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 3912453 KYSUGDXSVZEJCE-UHFFFAOYSA-N 319.386 1.958 0 40 DDAB COc1ncccc1CNC(=O)Nc1ccc(N(C)C)nc1 40540794 ZRENRXOKQQOPEA-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB O=C1c2ccccc2C(=O)N1CCn1nc(Cl)nc1Cl 4327027 PXTRYOFUBFAZBH-UHFFFAOYSA-N 311.128 1.881 0 40 DDAB Cc1nnc(NC(=O)NCC(=O)Nc2cccc(F)c2)s1 51190410 TZJGMONUUMGSCI-UHFFFAOYSA-N 309.326 1.746 0 40 DDAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 6954677 IDUGGIJECALWLH-IZZDOVSWSA-N 323.326 1.697 0 40 DDAB COCCCN1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O 101130766 ULIXOYPKMHNZAO-CQSZACIVSA-N 305.378 1.329 0 40 DDAB C[C@@H](C(=O)NCC1CCCCC1)N1CCO[C@H](CN(C)C)C1 69846246 KNKXESBZFYPCNI-GOEBONIOSA-N 311.470 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O=C(NCCNc1cnccn1)c1cc2ccccc2c(=O)[nH]1 56497064 SQIYRXSSOLIKRD-UHFFFAOYSA-N 309.329 1.160 0 40 DDAB Cc1c(C)n(C)c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc12 27973123 MYKSCQPQAPTOOI-ZDUSSCGKSA-N 320.414 1.712 0 40 DDAB CCc1ccccc1O[C@@H](C)C(=O)NCCN1CCOCC1 20034839 FCEMYXAXTMRCNG-AWEZNQCLSA-N 306.406 1.465 0 40 DDAB COc1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)cn1 58061422 NGPPEBAIIGMLIW-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC1CCCCC1 44715303 CKZKLDKBIQAWGR-DZGCQCFKSA-N 309.454 1.611 0 40 DDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCCCCC1 44871472 LNPKWQGZPDUGJR-UHFFFAOYSA-N 307.375 1.967 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 3281818 PAUCQAGPQVWROA-JTQLQIEISA-N 307.368 1.310 0 40 DDAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 70173649 JVWIRUPHBUEESQ-DTWKUNHWSA-N 322.352 1.852 0 40 DDAB COc1nc(C(=O)NCC(=O)NC(C)(C)C)cc2ccccc12 58269158 ISCDYKTWEXNFPK-UHFFFAOYSA-N 315.373 1.888 0 40 DDAB C[C@@H](CNC(=O)[C@@H](C)n1cncn1)N1CCc2ccccc2C1 44909723 GSDSXXKMQBROOR-UONOGXRCSA-N 313.405 1.402 0 40 DDAB Cc1c([C@@H](C)NC(=O)CNC(=O)CC2CCCCC2)cnn1C 58343530 ROPBKSNKXRDSPN-GFCCVEGCSA-N 320.437 1.992 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(C(N)=O)nc1 58411643 JHEUABKJNYMBQT-BXUZGUMPSA-N 305.378 1.506 0 40 DDAB CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 7660658 NYJYRJYCORXMOU-UHFFFAOYSA-N 317.798 1.285 0 40 DDAB CCCS(=O)(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 7778679 ICGSDFFACPODSM-UHFFFAOYSA-N 315.347 1.412 0 40 DDAB COc1cc(S(=O)(=O)NCc2ccco2)ccc1NC(C)=O 3442400 NMURHFCZNSNHQP-UHFFFAOYSA-N 324.358 1.725 0 40 DDAB Cc1ccnc2nc(C(=O)OCCOc3ccc(F)cc3)nn12 3449803 AUVAMKYGARUCMK-UHFFFAOYSA-N 316.292 1.808 0 40 DDAB Cc1n[nH]cc1CNS(=O)(=O)Cc1cccc(C(=O)O)c1 38011223 UPNWRRDECZSDRR-UHFFFAOYSA-N 309.347 1.036 0 40 DDAB CC(C)(C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1Cl 69487270 JBXOGWQFAWZXNJ-GFCCVEGCSA-N 310.781 1.330 0 40 DDAB Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1F 7955679 PKRIJEPSCILJKW-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB CN1CC(=O)N(CC(=O)N2CCCCC2)c2ccccc2C1=O 13628840 IUKQBJXPKCWDLO-UHFFFAOYSA-N 315.373 1.118 0 40 DDAB COC[C@]1(C)NC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O 69166534 OJGWEHWBQDUVNK-HNNXBMFYSA-N 323.324 1.111 0 40 DDAB CC(C)NC(=O)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 5209511 QJZVTHFAENQORE-UHFFFAOYSA-N 319.390 1.798 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 69434829 FKUVUBHPIASENI-LLVKDONJSA-N 310.781 1.581 0 40 DDAB NC(=O)CC1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 65407805 ZQOKCYWWIZIVNT-AWEZNQCLSA-N 317.389 1.287 0 40 DDAB CCO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 70021098 QRQHIGUWQOURGH-HOCLYGCPSA-N 306.406 1.289 0 40 DDAB O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)NC1CC1 14248928 MPVHQGOTRNHROK-UHFFFAOYSA-N 320.368 1.254 0 40 DDAB CSC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 4685371 BKWKLRSAKRITBE-SECBINFHSA-N 309.796 1.435 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nnc3ccccc3c2=O)c1C 6602011 WUNYSWGXXPSPPV-UHFFFAOYSA-N 324.340 1.822 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1cccc(-c2nnnn2C)c1 14518183 UTYAKSWRZIMJFR-UHFFFAOYSA-N 312.333 1.663 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1nnnn1C1CC1 69581114 IEXAWGHDYOLWIS-MLMJSJRWSA-N 319.390 1.284 0 40 DDAB CC1CCN(C(=O)[C@@H](C)Nc2cccc(NC(=O)CO)c2)CC1 66583098 NDTLTBGDZIRITM-CYBMUJFWSA-N 319.405 1.676 0 40 DDAB O=c1c(Cl)c(Cl)cnn1Cn1nnc2ccccc2c1=O 5938699 CMHVQODGICDOOE-UHFFFAOYSA-N 324.127 1.161 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc12 69656494 QAILUYMQVGSCLW-CQSZACIVSA-N 324.388 1.951 0 40 DDAB N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2sccc2c1 67712858 WXPCIJPGJJQDCY-ZDUSSCGKSA-N 300.387 1.811 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69969265 YMQSRCLBMUFJFV-RDJZCZTQSA-N 302.418 1.632 0 40 DDAB CNC(=O)CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 69949792 XVGRECRONRIXJY-LLVKDONJSA-N 320.311 1.123 0 40 DDAB CC(C)C[C@@H]1COCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 71040875 DFYPWKBARYHUBV-GFCCVEGCSA-N 303.362 1.743 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3ccc(C)n3C)CC2)n1 71819930 CUJCAAAGUBLWHM-UHFFFAOYSA-N 315.377 1.095 0 40 DDAB Cc1ccc2cc(C(=O)NC[C@@H](C)N3CCN(C)CC3)[nH]c2c1 71867401 KHCANILYZIIECW-CQSZACIVSA-N 314.433 1.842 0 40 DDAB O=C(Cn1nc(-c2ccco2)oc1=O)c1ccc2c(c1)CCO2 71816982 PAZNLWFSMKSILJ-UHFFFAOYSA-N 312.281 1.914 0 40 DDAB Cc1cccc2nc(CNC(=O)COC[C@H]3CCCO3)cn12 71890888 LQVDOCVUJAGIJJ-CQSZACIVSA-N 303.362 1.455 0 40 DDAB CCC[C@](C)(O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 89949433 IRAMUKTVNGLEKG-AWEZNQCLSA-N 318.295 1.710 0 40 DDAB COC[C@H](CCO)NC(=O)Cn1ccc2ccc(Cl)cc21 83897894 TVXSFUYMMSBQLP-ZDUSSCGKSA-N 310.781 1.808 0 40 DDAB CCn1ccnc1CN1CCN(c2nccc(OC)n2)C[C@@H]1C 75584683 AFWLXJAXDHIBIW-ZDUSSCGKSA-N 316.409 1.412 0 40 DDAB CCC(=O)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)[C@H](C)C1 76057286 NLGTYAWRWJIBTH-IUODEOHRSA-N 303.406 1.522 0 40 DDAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)OCCO)c12 84066699 BOZJZUIVRREWAK-UHFFFAOYSA-N 301.302 1.686 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269154 SVZMNFCBKCABSR-RYUDHWBXSA-N 324.343 1.013 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1ccccc1 24359368 YPAGBBVEPBRSJD-AWEZNQCLSA-N 310.419 1.159 0 40 DDAB Cc1csc(NC(=O)N2CCC[C@H](Cn3cncn3)C2)n1 97048177 VDAHKIOYGZDUNE-NSHDSACASA-N 306.395 1.987 0 40 DDAB CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1 97134090 UEEMOYJEHNWVCS-QEJZJMRPSA-N 322.430 1.754 0 40 DDAB Cc1nccc(CNC(=O)N[C@H](C)CCc2cccn2C)n1 78940312 USYASCGFSSHOQO-GFCCVEGCSA-N 301.394 1.944 0 40 DDAB Cc1ncc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402719 IFKQOZLESFMYEY-JTQLQIEISA-N 305.407 1.653 0 40 DDAB CCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1nnn[nH]1 84740419 MQGNUAQEXFPMRV-VXGBXAGGSA-N 301.350 1.723 0 40 DDAB CC(C)C[C@H]1COCCN1C(=O)NCc1nnc2ccccn12 73034824 YXYIBBXSCDNOJE-ZDUSSCGKSA-N 317.393 1.686 0 40 DDAB CCc1cnc(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 79010500 HVSUQXVWUWQAND-JTQLQIEISA-N 322.434 1.311 0 40 DDAB C[C@@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@@H]1CCOC1 95960265 IZOGUZWJYPYFKF-SWLSCSKDSA-N 312.435 1.392 0 40 DDAB CCOC(=O)[C@@](C)(O)CN1CCC(OCc2ccccc2)CC1 95943807 VTXIZXJBBQZFCU-SFHVURJKSA-N 321.417 1.982 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)[C@@H](C)O)CC1 95964820 HJLDZAIPEZMCHV-HZPDHXFCSA-N 319.449 1.629 0 40 DDAB CCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccccc31)[C@H]2O 35585768 XNXGMARVRYBHRQ-UWIAJVCOSA-N 313.401 1.200 0 40 DDAB biogenic CCCNC(=O)[C@H](C)OC(=O)c1ccc(-n2cccn2)cc1 32776340 CFOJGDYXWAVCFW-LBPRGKRZSA-N 301.346 1.944 0 40 DDAB O=c1[nH]c(O)nc(/C=C/C=C/c2ccc([N+](=O)[O-])o2)c1[N+](=O)[O-] 35402725 KEZBZHVDKMNZMS-ZPUQHVIOSA-N 320.217 1.612 0 40 DDAB C[C@@]1(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)CCCCO1 32577572 HFJMOBXDXWSVSS-LRDDRELGSA-N 305.378 1.435 0 40 DDAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35485340 LDQIUPRDXQVZGC-WBMJQRKESA-N 315.417 1.264 0 40 DDAB Cc1c[nH]nc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78115641 HOMGAISCUSYGJZ-AWEZNQCLSA-N 300.362 1.558 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 32779598 LNVSJMFFJDPTSE-BXKDBHETSA-N 313.379 1.023 0 40 DDAB Cc1cc(Nc2ncnc3c2CCN(C(=O)c2cc[nH]n2)C3)[nH]n1 72382903 DJFPGFXAFFOTCO-UHFFFAOYSA-N 324.348 1.173 0 40 DDAB COc1ccccc1CNC(=O)CSc1nc(=O)[nH]cc1C 9808907 YCMPGZQVRGEVOC-UHFFFAOYSA-N 319.386 1.495 0 40 DDAB O=S(=O)(Cc1ccccc1F)Nc1cnc2ccnn2c1 225576426 LHMVJMPFGHFWQY-UHFFFAOYSA-N 306.322 1.810 0 40 DDAB COc1cccc(/C(C)=C/C(=O)N(C)CCN2CCOCC2)c1 81731080 SLEBXNUFCRYAND-FYWRMAATSA-N 318.417 1.889 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 226216637 HEGLOHHCEISNHK-KCQAQPDRSA-N 320.389 1.715 0 40 DDAB CC1CCC(N2CCN(c3cncc(OCCO)n3)CC2)CC1 132782794 XMEDTTVJQWYSQN-UHFFFAOYSA-N 320.437 1.548 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 226628549 WUGJBOLEJDOLMJ-ASHKBJFXSA-N 305.717 1.145 0 40 DDAB O=C(O)[C@H](CNS(=O)(=O)c1ccccc1)Cc1ccccc1 571018287 HOWSMJXEAVLAJF-AWEZNQCLSA-N 319.382 1.908 0 40 DDAB COc1cc(NC(=S)NCc2ccccc2OC)ncn1 225183060 WIKJWRAHULRYDP-UHFFFAOYSA-N 304.375 1.980 0 40 DDAB COc1ccsc1C(=O)N1CCC[C@@H]1CN1CCOCC1 80943640 GWXHHMNREFDIHB-GFCCVEGCSA-N 310.419 1.694 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c(c1)OCC(=O)N2 97700030 LMZDWYHXSZWZEV-UHFFFAOYSA-N 314.345 1.549 0 40 DDAB CN1C(=O)[C@@]2(C[C@H]2C(=O)NCc2cccnc2)c2ccccc21 96243416 DHIMKOAVFLYAKM-KSSFIOAISA-N 307.353 1.632 0 40 DDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(CC2CC2)C1 96041282 YODLNVLXZPJTES-NUEKZKHPSA-N 304.390 1.785 0 40 DDAB CCc1cnc(CNC(=O)NCc2nc(C3CC3)no2)s1 96439671 XDIQAPNQTYZNME-UHFFFAOYSA-N 307.379 1.965 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2CCN(c3cccnc3)C(=O)[C@H]2C1 96082056 ZEYQRBHHELJUNB-HOCLYGCPSA-N 322.368 1.602 0 40 DDAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]1O2 96100403 LBKKUWVHZDJJBI-QLFBSQMISA-N 317.389 1.832 0 40 DDAB COC(=O)c1ccc2cc(I)[nH]c2n1 238407592 YPZOHLIPDFHXTB-UHFFFAOYSA-N 302.071 1.954 0 40 DDAB COCCn1ccc(NC(=O)NCc2sc(C)nc2C)n1 96434485 DZSKGAAMOIWYND-UHFFFAOYSA-N 309.395 1.925 0 40 DDAB O=C(c1ccco1)N1CCO[C@@H]2[C@@H](Cn3ccnc3)CC[C@H]21 96250237 GCQLMOKMECMKOJ-UMVBOHGHSA-N 301.346 1.796 0 40 DDAB O=C1CN(c2ncccc2C(=O)N2CCc3ccccc32)CCN1 96427280 ALBQDQRWVUCDBL-UHFFFAOYSA-N 322.368 1.221 0 40 DDAB C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C 96476483 UPEDWRVNIYWOFI-NWDGAFQWSA-N 314.426 1.977 0 40 DDAB O=C1CCCN1[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1 96208361 UDFVSFAMDGMJEQ-XJKSGUPXSA-N 320.368 1.366 0 40 DDAB CS(=O)(=O)CCCNC(=O)N1CC[C@@H](Cc2ccccc2)C1 96439560 OCQARKVQIVGAHD-HNNXBMFYSA-N 324.446 1.695 0 40 DDAB CN(C)C(=O)CN1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 96221868 JRIJEBCLPOUJIS-INIZCTEOSA-N 318.417 1.777 0 40 DDAB CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21 96040628 NXOJMAPIISMWEO-XHSDSOJGSA-N 324.446 1.215 0 40 DDAB COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 96044757 PQZKKFDAICGNJQ-CYBMUJFWSA-N 315.373 1.895 0 40 DDAB CC(=O)N1C[C@H]2c3ccccc3CN(C(=O)c3ccno3)[C@H]2C1 96268311 UZTASXFONLJWJW-GJZGRUSLSA-N 311.341 1.645 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC[C@H]2CCCO2)C1 249269149 ZXFBOJQCSICIKO-RBSFLKMASA-N 318.483 1.595 0 40 DDAB Cc1ccc(CN2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)o1 248098542 NFBMBQQFMJIPPX-FVQBIDKESA-N 302.378 1.859 0 40 DDAB O=C(CO[C@@H]1CN(CC2CC2)Cc2cccn2C1)N1CCCC1 247756113 ZNPWAOZMJWNGKZ-QGZVFWFLSA-N 317.433 1.721 0 40 DDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 242548227 LDZDZSWXYYZRHV-ZACQAIPSSA-N 316.426 1.591 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1C 257203818 ARTPKYSPQDYVAR-WBVHZDCISA-N 318.417 1.793 0 40 DDAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257280281 OKHNIOIBCAVVTQ-LLVKDONJSA-N 321.406 1.314 0 40 DDAB Cc1nc(CC(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)cs1 257310206 UEDAVXBMTRTXHB-ZIAGYGMSSA-N 321.446 1.996 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)c1nccn(C2CC2)c1=O 538507034 YTYDHDMXUHGGNA-UHFFFAOYSA-N 313.357 1.986 0 40 DDAB Cn1cc(-c2nccnc2[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257234194 GSNKGXYPIAKHGD-NSHDSACASA-N 321.406 1.016 0 40 DDAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cnccn2)nc1 257223807 DYYJSVVBKIIUQT-QGZVFWFLSA-N 311.389 1.845 0 40 DDAB Cc1cccc2c(CCC(=O)N[C@@H]3CCN(C(N)=O)C3)c[nH]c12 265939839 ISSNSXUZJWDRJH-CYBMUJFWSA-N 314.389 1.678 0 40 DDAB CNC(=O)C1=NO[C@]2(CCCN(Cc3cnn(C(C)C)c3)C2)C1 585101176 LKIXSIBINWDPOD-MRXNPFEDSA-N 319.409 1.321 0 40 DDAB CNc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2)cn1 585275951 HAEZVTSHCMSLBF-IRXDYDNUSA-N 312.417 2.086 0 40 DDAB CCN(CC)[C@@H]1CN(C(=O)c2ccnc(F)c2)[C@@H]2COC[C@H]12 585108153 HBFRRBNGYUOYSU-MGPQQGTHSA-N 307.369 1.402 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)N2CCSCC2)ccn1 46100182 DTCGSEOJWXEAHN-UHFFFAOYSA-N 317.418 1.834 0 40 DDAB C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 63194221 XZFBRKNVQAZSPF-PSASIEDQSA-N 322.352 1.994 0 40 DDAB Cc1nc(CCNC(=O)c2sccc2-n2cnnn2)cs1 65565277 SSRAWOYXMTVIFS-UHFFFAOYSA-N 320.403 1.461 0 40 DDAB CCN1CCCC[C@H]1C(=O)NCCS(=O)(=O)C(C)(C)C 71904052 NJQMDTFBOODDMF-LBPRGKRZSA-N 304.456 1.190 0 40 DDAB O=C(c1cncc(F)c1)N1CCN(c2ccccn2)C(=O)C1 1565522194 KNWPPRLNBOHQLM-UHFFFAOYSA-N 300.293 1.105 0 40 DDAB CO[C@]1(CNC(=O)[C@H]2COc3ccccc3O2)CCSC1 96097585 YOKFWNZHJNXOSW-HIFRSBDPSA-N 309.387 1.465 0 40 DDAB Cc1ccc(C[C@H]2CCN(C(=O)CCC(=O)O)C[C@H]2O)cc1 1615085910 FPVIIINRLNNFED-HUUCEWRRSA-N 305.374 1.612 0 40 DDAB CNS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188758785 WJORNAUKDPGRER-UHFFFAOYSA-N 321.273 1.027 0 40 DDAB CC(=O)OCCCn1nc(COC(N)=O)c2c1C[C@@H](C)CC2=O 5567525 QWLSUFCYEAJLGU-SECBINFHSA-N 323.349 1.197 0 40 DDAB O=C(O)CS[C@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1 5589792 VOBMLRGFTDUGFS-MNOVXSKESA-N 301.389 1.082 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(F)cc1)CS2 15940749 XCQSUZCJMZCWOJ-BBRMVZONSA-N 322.405 1.938 0 40 DDAB CC(C)CCn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CCC3 19962330 PKFMTVXSNOLZID-UHFFFAOYSA-N 315.373 1.660 0 40 DDAB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1O 8108876 LTFMIQYQMSCQEH-WDZFZDKYSA-N 301.302 1.231 0 40 DDAB Cc1cc(F)ccc1C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O 527561038 VTGIMZYAFANPDX-SUNKGSAMSA-N 318.352 1.537 0 40 DDAB CCOC(=O)N1CCN(c2nc(C)nc3cnccc23)CC1 1888899366 NEVBDRDSMZCSJK-UHFFFAOYSA-N 301.350 1.612 0 40 DDAB Cc1cccc(CN2CCO[C@@H](C(=O)N3CCOCC3)C2)c1 1889122704 FTSFNZORQWSTDT-MRXNPFEDSA-N 304.390 1.055 0 40 DDAB COC[C@H](C)NC(=O)CCn1cnc2c(C)cccc2c1=O 22624972 GAXHHNZRWSWOPW-LBPRGKRZSA-N 303.362 1.246 0 40 DDAB CCOC(=O)c1sc(NC(=O)c2cc(O)ncn2)nc1C 245070503 QMOOJHGYTGFABJ-UHFFFAOYSA-N 308.319 1.376 0 40 DDAB Cc1cccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)c1 4139254 GVGKDIGTINVUOQ-HNNXBMFYSA-N 313.357 1.962 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)CC1CCOCC1)CC2 2055734512 FKKFLVDBMBTAMG-ZDUSSCGKSA-N 321.421 1.526 0 40 DDAB Cn1cnc2c(NC[C@](C)(O)Cc3ccsc3)ncnc21 1775971921 YJGKQPVIFVEBAQ-CQSZACIVSA-N 303.391 1.830 0 40 DDAB O=C(CN1C(=O)CCC1=O)NC1(c2cccs2)CCOCC1 575605557 BIOJPQIOIAJKAX-UHFFFAOYSA-N 322.386 1.019 0 40 DDAB CC(=O)OC(C)(C)C(=O)NC[C@@H](c1ccsc1)n1cccn1 575613412 HGGJEJKSBKSRBJ-ZDUSSCGKSA-N 321.402 1.992 0 40 DDAB COC(=O)CNC(=O)c1cc(=O)c(OCc2ccccc2)co1 40286102 QHIRGKMINJVPCV-UHFFFAOYSA-N 317.297 1.122 0 40 DDAB O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1 1672537 ARRSANOSOGNTIJ-UHFFFAOYSA-N 312.306 1.838 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)CN(C)[C@H]2CCSC2)C1(C)C 107538993 KVUPKQWKAUYXCR-SLEUVZQESA-N 300.468 1.744 0 40 DDAB COc1cccc2c(=O)c(C(=O)NCc3cccnc3)c[nH]c12 35289167 RFPILPFREFKYKX-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB O=C(NCCS(=O)(=O)c1ccccc1)NCc1cccnc1 57422738 WQYPXDHTLWLTBU-UHFFFAOYSA-N 319.386 1.355 0 40 DDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ncnn1C 108501114 RINRCZFPXYIKFR-GXTWGEPZSA-N 314.393 1.457 0 40 DDAB Fc1cnc(N2C[C@H]3CC[C@H]2[C@H]3OCCN2CCCC2)nc1 107265700 XBGKGOMSRVYMPT-SNPRPXQTSA-N 306.385 1.695 0 40 DDAB CN1C[C@@H](NC(=O)Cc2csc(C(C)(C)C)n2)CCC1=O 75143134 ZOQZWDSDOOKOJO-JTQLQIEISA-N 309.435 1.720 0 40 DDAB CCOC(=O)NCC(=O)N[C@@H](C)c1ccc(NC(=O)CC)cc1 58179577 FGXTUDOVSBXSNM-NSHDSACASA-N 321.377 1.958 0 40 DDAB CN1CCN([C@H](CNC(=O)[C@H]2CCCO2)c2cccs2)CC1 36089826 SKWKVZIJXQRISJ-ZIAGYGMSSA-N 323.462 1.332 0 40 DDAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CC(C)C)C(=O)[C@H]13)O2 2145810 YGMDYSFJPOGJDL-VWPFQQQWSA-N 307.390 1.768 0 40 DDAB biogenic O[C@H](CN1CCO[C@H](c2ccc(F)cc2)C1)Cn1cccn1 44975245 PRLDDNGZFXIKJO-CVEARBPZSA-N 305.353 1.457 0 40 DDAB CCOCc1cccc(CNC(=O)CSc2ncn[nH]2)c1 58324296 UVMKGKYMRHCXJW-UHFFFAOYSA-N 306.391 1.750 0 40 DDAB CCCNC(=O)CN1CCN(CCOc2ccc(F)cc2)CC1 58345052 QGKIUMTVVKREBT-UHFFFAOYSA-N 323.412 1.348 0 40 DDAB C[C@H](OC(=O)c1cnccn1)C(=O)Nc1ccc(N(C)C)cc1 10735401 JBLZSLBGOGBRMP-NSHDSACASA-N 314.345 1.727 0 40 DDAB COCC1(O)CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 89665858 XDVFLZLAWGOYOA-UHFFFAOYSA-N 304.346 1.750 0 40 DDAB O=C(Nc1cccnc1N1CCCC1)N[C@H]1CCCCNC1=O 45667089 MLNIIWDVIPGOPC-ZDUSSCGKSA-N 317.393 1.472 0 40 DDAB Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)n(C)n1 95399189 JMBNZUVMFJLQPA-GFCCVEGCSA-N 305.309 1.813 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCCCC1 28900704 VOMFUZDTCYJTQS-UHFFFAOYSA-N 303.406 1.377 0 40 DDAB O=C(CN(CCc1ccc2c(c1)CCO2)C1CC1)NC1CC1 95405124 ANYPPAOESLJTHK-UHFFFAOYSA-N 300.402 1.907 0 40 DDAB CCCc1cc(C(=O)OC2CCN(c3ccncn3)CC2)[nH]n1 95434795 IFHHUMHIPWDHNR-UHFFFAOYSA-N 315.377 1.978 0 40 DDAB Cc1c(C(=O)N[C@@H](CC(N)=O)C(=O)O)sc2ccccc12 37416724 KZHLFYFTNUUHKB-VIFPVBQESA-N 306.343 1.268 0 40 DDAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc2[nH]nnc2c1 12506989 GDMOZWMPWALZBC-UHFFFAOYSA-N 310.313 1.659 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1cccc(Cl)c1 48300926 PTGMEMYUVMXHFF-SMDDNHRTSA-N 322.796 1.958 0 40 DDAB CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)N(C)C 95441654 XFGFCVPZGHQHRA-GJZGRUSLSA-N 303.406 1.941 0 40 DDAB COc1ccccc1COC[C@@H](O)CNC1CCC(O)CC1 12926739 SQJYCVSUVNEAAO-GPANFISMSA-N 309.406 1.466 0 40 DDAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCNC1=O 13038937 XKHJSCDHVGYETJ-UHFFFAOYSA-N 322.796 1.014 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)cs2)c1 13003421 WVGRCXIYTCMEGJ-UHFFFAOYSA-N 311.388 1.612 0 40 DDAB CC(C)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccs1 49122513 UMRCBSVCGQWYOP-LLVKDONJSA-N 316.448 1.673 0 40 DDAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)[C@H]3CCCO3)cc2c1 9479063 UZQNWEJUQZPTCZ-OAHLLOKOSA-N 316.357 1.674 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc2c(c1)OCO2 6053018 KZKFCEFBDCPPTB-ZDUSSCGKSA-N 314.301 1.469 0 40 DDAB NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCC4 13733747 CWABQCUUUKIPLA-UHFFFAOYSA-N 305.388 1.405 0 40 DDAB C=CC(=O)NCCNC(=O)COc1cc(Cl)cc(Cl)c1 96430965 XPUWXGMWEPFRGH-UHFFFAOYSA-N 317.172 1.791 0 40 DDAB CCOC(=O)C1=C(CSc2ncccn2)NC(=O)N[C@@H]1C 6349563 DVXNKYBCZZVNAD-MRVPVSSYSA-N 308.363 1.087 0 40 DDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCCc1cccnc1 65564034 CGKKVRUGBZVRFG-HNNXBMFYSA-N 303.406 1.922 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)NC(C)(C)C)C(=O)N1c1ccccc1 14170305 ZIEVQTCUAWJBKN-LLVKDONJSA-N 303.362 1.758 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3ccccc3F)CC2)n1 65613441 QUKFWFGKFSRPQY-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCCn2ncnc21 71826679 NZXQEUYCKMMKMX-LLVKDONJSA-N 318.764 1.920 0 40 DDAB CN(C)[C@H](CNC(=O)Nc1ccn(C)n1)c1cccc(F)c1 71883939 NLPFEJHZZUWZAZ-CYBMUJFWSA-N 305.357 1.984 0 40 DDAB Cn1cc(-c2cnc3n2C[C@@]2(CCN(c4ncccn4)C2)C3)cn1 306144234 ZADWUDBGFBCHGJ-KRWDZBQOSA-N 321.388 1.526 0 40 DDAB CSCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 6638399 WLMCQGNXIFWZJR-UHFFFAOYSA-N 316.448 1.937 0 40 DDAB CCn1c(S)nnc1-c1nonc1NC(=O)c1ccncc1 4770379 ZXXMVCKMNRQZMI-UHFFFAOYSA-N 317.334 1.284 0 40 DDAB CCN1C[C@H](C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1=O 66690087 FZPMSDADDXEUFL-IUODEOHRSA-N 320.364 1.594 0 40 DDAB Cn1c(CNC(=O)c2cc3c(cc2O)CCCC3)n[nH]c1=S 66625360 UTNYMZQVCFSBGK-UHFFFAOYSA-N 318.402 1.992 0 40 DDAB CCCCn1c(N)c(N(CC)CCCSC)c(=O)[nH]c1=O 71924062 UAJRYTRFVRALSD-UHFFFAOYSA-N 314.455 1.498 0 40 DDAB NC(=O)c1nccnc1C(=O)NCCc1ccc(F)cc1Cl 73666195 SXAGUKTUKBRNEV-UHFFFAOYSA-N 322.727 1.341 0 40 DDAB Cc1ncc2c(n1)CN(C[C@@H](O)CN1CCC(C)CC1)CC2 72253899 OSCGMAZMMBBYSV-INIZCTEOSA-N 304.438 1.236 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1 70037050 VMEDGAYGFHYPRI-OWCLPIDISA-N 313.405 1.801 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccoc1)CC2 72295905 DXIVQYAKWPYPQG-UHFFFAOYSA-N 320.370 1.781 0 40 DDAB COCCS(=O)(=O)c1ccc(C(=O)Nc2cn[nH]c2)cc1 72278807 QJBCTVCPFVKBFB-UHFFFAOYSA-N 309.347 1.082 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 69640731 NRXNVNFXJZZBNA-ZDUSSCGKSA-N 318.398 1.960 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(C)s2)CC1 69819935 NSKBICLNEGGOSQ-ZDUSSCGKSA-N 312.435 1.212 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)c2ccc3cc[nH]c3c2)CC1 69808920 CLXPBPUQIMALMA-AWEZNQCLSA-N 314.433 1.924 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCCC[C@@H]2Cn2cncn2)CC1 69815087 HURUJZCQMFELOI-IAGOWNOFSA-N 321.469 1.225 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCc2ccc(OC)cc2)CC1 69924185 MSWYYVRBNABRQW-MRXNPFEDSA-N 320.433 1.543 0 40 DDAB CC(C)Cc1ncc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)s1 97166237 BBHUFBFANWRONO-PWSUYJOCSA-N 318.464 1.938 0 40 DDAB O=C([C@@H]1CCN1C(=O)/C=C/c1ccccc1)N1CCOCC1 97134304 DNQOVNGDNDAJLK-LFAOLKIESA-N 300.358 1.160 0 40 DDAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nncs1 8994492 GPWXGDHLNPQCNE-UHFFFAOYSA-N 316.342 1.553 0 40 DDAB CCn1cnnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 71185964 YLXJYLHRUINVMG-UHFFFAOYSA-N 301.350 1.006 0 40 DDAB Cc1cccc(CCNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)c1 110625114 YFUMHWJCVXQGKL-ZIAGYGMSSA-N 312.435 1.481 0 40 DDAB CCc1nn(C)c(CC)c1CNCCNc1ccc(C)nn1 89280007 UUCOSXHBQBZLQK-UHFFFAOYSA-N 302.426 1.845 0 40 DDAB O=C(Cn1cnnn1)NC1c2ccccc2Oc2ccccc21 75583857 IQHWCPVLUVALOL-UHFFFAOYSA-N 307.313 1.685 0 40 DDAB O=C(CCCOc1cccc(F)c1)N1CCN(CCO)CC1 75572726 HOHVGPODMMVBOL-UHFFFAOYSA-N 310.369 1.121 0 40 DDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCc3ccncc3)C2)C1=O 76059029 BRUZOLXEWSLIPB-PBHICJAKSA-N 316.405 1.276 0 40 DDAB CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965080 KSGCRCXGYPFKNR-UHFFFAOYSA-N 316.398 1.898 0 40 DDAB CN(C)c1ccnc(CNC(=O)N[C@@H]2CC23CCOCC3)c1 1548454010 QAJIOKPHKXLEHI-CQSZACIVSA-N 304.394 1.516 0 40 DDAB CC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc(CO)o1)CCO2 306133361 MJNPVEWDZPALFJ-IAGOWNOFSA-N 322.405 1.422 0 40 DDAB O=C(CCCn1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 524735612 NLIDQFLSXNXWGI-UHFFFAOYSA-N 312.329 1.437 0 40 DDAB Cc1cccc2nc(CNc3ncccc3S(N)(=O)=O)cn12 79037794 CYQHIHQUFYZPFL-UHFFFAOYSA-N 317.374 1.297 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217411660 YTLNOEQWVRTENJ-VIFPVBQESA-N 316.379 1.130 0 40 DDAB Cn1cnnc1CNC(=O)Cc1ccccc1Br 78498580 RXZBPLMNOLLBMB-UHFFFAOYSA-N 309.167 1.437 0 40 DDAB C[C@]12CN(C[C@@H]3CCOC3)C[C@H]1NC(=O)c1ccccc1C2=O 72395018 VRUPCYKPXRNLEA-PNPHSEOMSA-N 314.385 1.340 0 40 DDAB COCCC(=O)N1CCC(C(=O)c2cc(C)cnc2N)CC1 72373414 FPYFDIQPIDAXAZ-UHFFFAOYSA-N 305.378 1.430 0 40 DDAB COC[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218406324 OPPUZBNOEFEWEZ-MDZLAQPJSA-N 318.778 1.568 0 40 DDAB C[C@](O)(CNS(=O)(=O)CCc1ccccc1)c1ccco1 75156310 CVTYAYKCLYNQEJ-HNNXBMFYSA-N 309.387 1.649 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72238223 FGRVEIQHUIIFQA-RDJZCZTQSA-N 316.401 1.763 0 40 DDAB O=C(NCCc1cc[nH]n1)c1c(Br)nc2n1CCC2 1548791438 XSBCPKDPMIZVNO-UHFFFAOYSA-N 324.182 1.287 0 40 DDAB CCOc1ccc(S(=O)(=O)N(C)c2nccc(OC)n2)cn1 225754200 OYLBTSDQAQCFMV-UHFFFAOYSA-N 324.362 1.104 0 40 DDAB CCOc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953125 HZJZPTYUOOBADK-NHYWBVRUSA-N 324.402 1.448 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)nn1 225439540 RNMSVXNOTXYIEX-LLVKDONJSA-N 317.349 1.119 0 40 DDAB COc1cccc(NC(=O)CNC(=O)c2cc(C)nn2C)c1 40757433 YFOXOGFLDQHXPS-UHFFFAOYSA-N 302.334 1.106 0 40 DDAB NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958331 WHMTZMQAHAXBAG-NSHDSACASA-N 305.353 1.654 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)NCCc2ncn[nH]2)cc1 80640731 SSYNEVCCTZCPJS-UHFFFAOYSA-N 308.407 1.623 0 40 DDAB CCNC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 69381688 NHJRVWASJLEAJR-UHFFFAOYSA-N 320.393 1.500 0 40 DDAB O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc(OC(F)(F)F)cc1 85469440 MXODVHXVYFNMJA-CKYFFXLPSA-N 319.279 1.447 0 40 DDAB O=C(CN1CCCN(C(=O)c2ccc(F)cc2)CC1)NC1CC1 69419018 JCPYGFHAMCLOII-UHFFFAOYSA-N 319.380 1.252 0 40 DDAB C[C@@H]1CCC[C@@H](C)C1NC(=O)NC[C@@](C)(O)c1cnn(C)c1 195537499 NGRCOUBCPIKWGJ-XHBSWPGZSA-N 308.426 1.752 0 40 DDAB CN(CCSc1ccc2nnnn2n1)Cc1ccccc1 225713918 CYGJITFRDGJWEB-UHFFFAOYSA-N 300.391 1.743 0 40 DDAB COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)N1CCOCC1 69529367 HEUIYPDOELWKQN-KGLIPLIRSA-N 306.406 1.902 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)n1 69601157 PVVGRUKDDYLQSA-LLVKDONJSA-N 306.395 1.146 0 40 DDAB Cn1cnc2cc(C(=O)N3CCNC[C@H]3c3ccncc3)ccc21 573357252 PDFQHYMZTFWNQI-KRWDZBQOSA-N 321.384 1.755 0 40 DDAB CS(=O)(=O)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 96260736 LTPRPPCXFIVBAZ-UHFFFAOYSA-N 317.370 1.953 0 40 DDAB O=C(CC1CC1)N1C[C@H]2C(=O)N(c3cncnc3)CC[C@H]2C1 96082108 HWLCXMZNNSKTKC-GXTWGEPZSA-N 300.362 1.088 0 40 DDAB CCO[C@@H]1C[C@H](N(C)CC(=O)N2CCOCC2)C12CCCC2 96419679 NLJKOKMUNUNNAJ-LSDHHAIUSA-N 310.438 1.515 0 40 DDAB COc1cc(N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)ncn1 96220747 BYEORLBKNWZSOR-SDDRHHMPSA-N 317.349 1.013 0 40 DDAB C[C@H](NC(=O)CNC(=O)c1ccco1)[C@H](O)c1ccc(F)cc1 97232048 WSKKBBYQQZTSJT-BONVTDFDSA-N 320.320 1.387 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)NCC1CCOCC1 96118276 KLAQVJNFFOXXOF-UHFFFAOYSA-N 316.361 1.607 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)C[C@H]2CCCCO2)C1 249201342 QXQYLMPSKBTPFD-RBSFLKMASA-N 318.483 1.595 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1Cc1ccccc1C(=O)O 257342885 ZQMPRQBIEABUJE-AWEZNQCLSA-N 301.346 1.990 0 40 DDAB c1cc2n(n1)[C@@H](CN1CCCCC1)CN(C1CCOCC1)C2 253603671 JDNJOYCKWBKORW-KRWDZBQOSA-N 304.438 1.905 0 40 DDAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2cncnc2)n1 257200069 ABWWMFNALJGYFM-QGZVFWFLSA-N 311.389 1.845 0 40 DDAB CCC(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257340189 ZEZAWBXUQQAXGU-MRXNPFEDSA-N 303.406 1.987 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CCCC1 257264462 LUMLCBXKMFBSIV-MRXNPFEDSA-N 302.378 1.360 0 40 DDAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3cc[nH]n3)CC2)cn1 257334949 YHZAINXSOHDAMO-GFCCVEGCSA-N 314.393 1.726 0 40 DDAB O=C(O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C1 257313766 UUASLIDOKIPLNV-SECBINFHSA-N 303.293 1.763 0 40 DDAB CCC(=O)N1CCC[C@@H](c2ccnc3c(C(=O)NC)cnn23)C1 257258232 KSXJNQUBCYIJKV-LLVKDONJSA-N 315.377 1.205 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 264225859 WTFHKBXTIUWJPM-MRVPVSSYSA-N 320.798 1.152 0 40 DDAB O=C(NCCc1ccoc1)C(=O)Nc1ccc2c(c1)OCCO2 96355109 UJDIYMJZVHECDC-UHFFFAOYSA-N 316.313 1.348 0 40 DDAB Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1 292813230 AITRVOJPEOGFDV-ZDUSSCGKSA-N 323.422 1.259 0 40 DDAB COC[C@]1(CC(=O)Nc2cnn(C)c2C)CCCN1C(C)=O 585280471 JCWMPEHCOQSHSS-OAHLLOKOSA-N 308.382 1.085 0 40 DDAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)N1CCNC1=O 28191481 FEYUEUAFFBVEFP-SNVBAGLBSA-N 316.386 1.971 0 40 DDAB Cn1cc([C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)cn1 681295944 RQKOASYFGOHQDK-LBPRGKRZSA-N 300.362 1.139 0 40 DDAB O=C(NCC1=COCCO1)c1cccc(OC[C@H]2CCCO2)c1 72301385 OBOHJNNBLRAWRQ-OAHLLOKOSA-N 319.357 1.862 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H](C)CO 133463704 ZLYBHWMUZCBSSX-VIFPVBQESA-N 322.224 1.759 0 40 DDAB CCn1nnnc1S[C@H](C(=O)NCc1cccnc1)C(C)C 50247628 CZUOXQPEULEPAW-LBPRGKRZSA-N 320.422 1.521 0 40 DDAB Cc1ccc([C@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)o1 52527207 SOVCFPJKLMRZLE-NSHDSACASA-N 302.330 1.943 0 40 DDAB CCN1CCC(CNC(=O)[C@@H](C)NC(=O)c2cccs2)CC1 57000693 CHSCKZLYJQJERD-GFCCVEGCSA-N 323.462 1.715 0 40 DDAB C[C@]1(c2ccsc2)CC(=O)N(CC(=O)NC2CCCC2)C1=O 79107694 RXIQSELKGADXGD-MRXNPFEDSA-N 320.414 1.824 0 40 DDAB CCCn1cc(CNC[C@@H]2CCO[C@@H]2c2cnn(C)c2)cn1 84760626 GPNDBSQRSMHFAJ-HOCLYGCPSA-N 303.410 1.894 0 40 DDAB COCCNC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1 96103779 VUVPWXQYSSOCCE-UHFFFAOYSA-N 320.315 1.725 0 40 DDAB Cc1n[nH]c(=O)c(C(=O)Nc2ccc(Br)cn2)c1C 59250994 CHQYIRFELFJXEE-UHFFFAOYSA-N 323.150 1.797 0 40 DDAB CCN(C)C[C@H](O)CN1CCC(Oc2ccncc2C)CC1 570813446 OTLOWTRRARUICN-HNNXBMFYSA-N 307.438 1.546 0 40 DDAB O=c1cc(Cn2cc(Br)cn2)nc2sccn12 77956005 MAORWCVLACUATL-UHFFFAOYSA-N 311.164 1.763 0 40 DDAB CN1OC2(CCN(Cc3nc4ccccc4n3C)CC2)CC1=O 1549168540 XHHGFCOWSSYCDY-UHFFFAOYSA-N 314.389 1.702 0 40 DDAB Cc1nc2nn3c(c2c2c1COC(C)(C)C2)NCC(=O)C3=O 5537771 BTRZIFLUEKMXSX-UHFFFAOYSA-N 300.318 1.226 0 40 DDAB Cc1nc(C)n(CCNC(=O)[C@@H]2OCOc3ccccc32)n1 12195794 VTTHSSGNEYUYAT-CQSZACIVSA-N 302.334 1.119 0 40 DDAB CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 12902643 KRNRUCVHDCTEBF-NSHDSACASA-N 314.407 1.140 0 40 DDAB COCC(=O)N1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19702421 MWEOJCXIHGQBFP-SECBINFHSA-N 319.386 1.358 0 40 DDAB C[C@@H]1CN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C[C@@H](C)O1 9815785 QNJBJGHUIYZSTG-NXEZZACHSA-N 323.418 1.670 0 40 DDAB COC(=O)c1cn(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 12183820 LXIKPGOGVXWDJS-LLVKDONJSA-N 324.381 1.712 0 40 DDAB Cc1cccc(N2CCN(C[C@@H]3CC(=O)N(C)C3)CC2)c1C 1848581623 HSVZRWZTSRZWCU-MRXNPFEDSA-N 301.434 1.904 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C 6266925 JXMHAPQBHAMYCC-SECBINFHSA-N 302.371 1.407 0 40 DDAB c1cncc(OCc2noc3c2CN(Cc2cn[nH]c2)CC3)c1 1203094289 UONYLBBCQIBTCZ-UHFFFAOYSA-N 311.345 1.930 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@@H]2C1 1614930420 BZJWHPVGWCBKKB-WMLDXEAASA-N 313.401 1.581 0 40 DDAB Cn1nccc1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1 1565548981 KLEYPEAALVMKMH-UHFFFAOYSA-N 312.377 1.317 0 40 DDAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3csnn3)C[C@H]21 1565545198 XBARVYDIQBIPLO-KOLCDFICSA-N 315.402 1.863 0 40 DDAB COCC(=O)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 4165232 DHJGPOYWUFNHCX-GFCCVEGCSA-N 315.778 1.630 0 40 DDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(C)C)C2 2055812561 ZQXAXAKNFQIZIR-INIZCTEOSA-N 321.446 1.796 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)ncn2)cc1 1775976281 XWQMBPZWNKBJNW-UHFFFAOYSA-N 318.358 1.254 0 40 DDAB CC(C)(C)c1nccc(N2CCO[C@@H](C(=O)NC3CC3)C2)n1 2086875449 IGKZDBPCSDYIJO-GFCCVEGCSA-N 304.394 1.258 0 40 DDAB O=C(COc1ccccc1F)N1CC(Oc2nccs2)C1 208030253 ADKSBCNFVLUPKB-UHFFFAOYSA-N 308.334 1.951 0 40 DDAB O=C(CCCn1cccn1)NCCc1ccc2c(c1)OCCO2 50289228 HLKLAAOLZULGRZ-UHFFFAOYSA-N 315.373 1.793 0 40 DDAB CC(C)[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1cccs1 40479588 YSPWYFLBLSJKTK-CQSZACIVSA-N 307.419 1.632 0 40 DDAB Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)[nH]c2c1C(=O)CCC2 40460882 PYTBUFCCYSXEOX-OAHLLOKOSA-N 324.402 1.149 0 40 DDAB CC(=O)NCc1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 20598659 DDERMABAPRKSPI-OAHLLOKOSA-N 305.309 1.551 0 40 DDAB Cc1csc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 51879941 DHCQLSCTYLLMBP-UHFFFAOYSA-N 304.419 1.472 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1ccc(OC(C)C)c(C)c1 32406095 BDFVATPFJFRVQP-UHFFFAOYSA-N 314.407 1.149 0 40 DDAB CNC(=O)c1ccc(OCC(=O)Nc2cc(C)nn2C)cc1 32783202 OXLRPVWXJASBCF-UHFFFAOYSA-N 302.334 1.106 0 40 DDAB CCOC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)C(C)C 32913869 RARKDLZOCUWOOF-ZDUSSCGKSA-N 321.377 1.172 0 40 DDAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccco1)c1ccccc1 33028919 UMIMBKABTHVNSS-CQSZACIVSA-N 315.373 1.429 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@H]4CCC[C@@H]43)nc2n1 53385022 ORPCQWASFQFHTR-RYUDHWBXSA-N 301.350 1.135 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(CCc3ccccn3)CCO2)n1 78892899 RVRZTPKXRJBZMS-AWEZNQCLSA-N 301.394 1.939 0 40 DDAB CCCn1nnnc1CNc1ccc(-n2cncn2)c(Cl)c1 79016702 YBVVFKXHHXUILT-UHFFFAOYSA-N 318.772 1.929 0 40 DDAB O=C(NCC1CCOCC1)[C@@H]1CCCN(c2ncccn2)C1 79478800 IRRRIBGAHDZUKT-CQSZACIVSA-N 304.394 1.236 0 40 DDAB CCOC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 1754777 HJPYVBXSWHAMMD-MRXNPFEDSA-N 302.330 1.029 0 40 DDAB CCN(CC)CCNC(=O)CCS(=O)(=O)c1ccccc1 2730864 BFPIVIROMCRXOZ-UHFFFAOYSA-N 312.435 1.308 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@@H]2CCC[C@H]21 56195258 VLXUNSMJYZDZTK-ZIAGYGMSSA-N 313.361 1.120 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1ccccc1 4316838 OZRUBLBNBNWNSF-UHFFFAOYSA-N 315.398 1.667 0 40 DDAB COCC(=O)N1[C@@H]2CC[C@@H]1[C@]1(CC(=O)c3ccccc3O1)C2 100209280 PCJFIKYIBTUGTN-RGYTYGDFSA-N 301.342 1.800 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1 26918245 HDRIEHMAWWQTPO-CQSZACIVSA-N 312.373 1.620 0 40 DDAB CC[C@@]1(c2ccc(Cl)c(C)c2)NC(=O)N(CC(=O)O)C1=O 57842178 WCJABUOHLYNBCP-AWEZNQCLSA-N 310.737 1.890 0 40 DDAB CCCNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 2093538 WHHZGMPSADINNV-UHFFFAOYSA-N 312.435 1.759 0 40 DDAB O=S(=O)(CCNC[C@@H]1C[C@H]2C=C[C@H]1C2)N1CCSCC1 102685681 MOJKGXLKHBQFKB-IHRRRGAJSA-N 316.492 1.167 0 40 DDAB CCC1CCC(N(C(=O)CCNS(C)(=O)=O)C2CC2)CC1 58293058 ZMGWZYXLEDMJGH-UHFFFAOYSA-N 316.467 1.886 0 40 DDAB O=c1[nH]ncc(NCc2ccc(-n3ccnc3)nc2)c1Cl 58248192 QQWMNUKWDRAGCX-UHFFFAOYSA-N 302.725 1.616 0 40 DDAB O=C(Nc1ccc(C(=O)NC2=NCCS2)cc1)NC1CC1 44903252 CCMJBSQJDMBFMV-UHFFFAOYSA-N 304.375 1.803 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)NCCN1CCOCC1 27772579 BRFFIPFSKWKPBQ-UHFFFAOYSA-N 301.390 1.549 0 40 DDAB CO[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cnnn2)cc1 58378398 AZBZWDKKARFDPB-ZIAGYGMSSA-N 302.334 1.777 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@@H](C)O[C@H](C)C1 28655703 XDMQFOIKLCOPRH-RKDXNWHRSA-N 305.334 1.084 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2cc(F)ccc2F)n1 3385865 ROUJCWXUMXFBLI-UHFFFAOYSA-N 311.317 1.650 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCO1 2409931 FLBINFKSPTYTGZ-KGLIPLIRSA-N 306.362 1.249 0 40 DDAB O=C(CCn1cc(Br)cn1)NCc1ccccn1 27938888 LFBGWGMVAIOCEM-UHFFFAOYSA-N 309.167 1.747 0 40 DDAB CCCn1nc(C(=O)Nc2ccc3c(c2)OCO3)ccc1=O 11781908 XGMIHYRUPCNOPX-UHFFFAOYSA-N 301.302 1.634 0 40 DDAB Cc1nnc([C@@H](C)N2CCC(c3ccnn3CCO)CC2)o1 58291728 QIEJYFNTCLKNDU-LLVKDONJSA-N 305.382 1.507 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1 12528232 POXKFNBGUOPPBN-UHFFFAOYSA-N 305.359 1.550 0 40 DDAB CCN1CCN(C[C@H](O)COc2ccccc2C(C)=O)CC1 22467806 CECLJALRPGZIHQ-HNNXBMFYSA-N 306.406 1.266 0 40 DDAB O=C(CN1CC=C(c2ccc(F)cc2)CC1)N1CCNC1=O 12599035 HOUUVRAMEMFUFC-UHFFFAOYSA-N 303.337 1.467 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)NC(N)=O 3448663 NHWJKTHCNRAPPK-MRVPVSSYSA-N 314.725 1.154 0 40 DDAB CC(C)c1nc(CN(C)[C@H]2CCN([C@@H](C)C(=O)N(C)C)C2)no1 95402656 YQZHYKIJGRZGJJ-STQMWFEESA-N 323.441 1.176 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CCCC1)C2=O 3563742 UGCSRCVCRIDVOO-BZNIZROVSA-N 307.394 1.546 0 40 DDAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CC(C)C)C(=O)[C@H]13)O2 4044163 QJWRTSJSHIQCKG-XJIUQZFPSA-N 307.390 1.624 0 40 DDAB biogenic COc1ccc(Cc2n[nH]c(NCc3ccccn3)nc2=O)cc1 13550788 XWHFOAGKIGZKSV-UHFFFAOYSA-N 323.356 1.771 0 40 DDAB O=C(OCC(=O)N1CCCC1)c1ccc(Br)o1 6078691 SDBWAQDRDQMWSB-UHFFFAOYSA-N 302.124 1.821 0 40 DDAB Cc1nnc2ccc(N(C)Cc3ccc([S@](C)=O)cc3)nn12 96453920 MOBPWTLSNSUFAJ-JOCHJYFZSA-N 315.402 1.807 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC2CC2)c1C 5212085 PRXMOEUDWPTUFR-SECBINFHSA-N 308.334 1.242 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cccc(Cl)c1 14095153 OCKUKSTZEKUNMH-UHFFFAOYSA-N 321.808 1.833 0 40 DDAB O=C(c1cnns1)N1CCC[C@@H]1c1nnc2n1CCCCC2 65552969 VFMRGZPYRVUQRM-SNVBAGLBSA-N 318.406 1.833 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@@H]2CCCC[C@@H]21 65553310 AXHWMOHDFZLWFH-LJISPDSOSA-N 304.390 1.539 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NCc1ccco1 4700436 CFYAIAKNXXQIPY-CYBMUJFWSA-N 324.377 1.380 0 40 DDAB Cc1ccc(NC(=O)Cn2cnnc2[S@@](C)=O)c(Cl)c1 71804140 IHHQPCQEPLVQNW-FQEVSTJZSA-N 312.782 1.616 0 40 DDAB Cc1cc(NC(=O)Cn2cc(Br)ccc2=O)no1 14736337 XJMGLUCZZQFKKT-UHFFFAOYSA-N 312.123 1.546 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2nc(C3CC3)no2)CC1 71836912 NHSMGABLWRCIAJ-UHFFFAOYSA-N 317.393 1.870 0 40 DDAB CCc1nnc(NC(=O)NCc2nnc3n2CCCC3)s1 71886047 NGPRFIBKUDCXKC-UHFFFAOYSA-N 307.383 1.350 0 40 DDAB CCOc1ccc(CN2CCN(C(=O)c3cn[nH]n3)CC2)cc1 71819820 CSACYIQXMJIKOL-UHFFFAOYSA-N 315.377 1.161 0 40 DDAB C[C@@H](C(=O)O[C@@H]1CCCCC1=O)N1C(=O)c2ccccc2C1=O 5880879 WWRBQRCBUBMARB-IINYFYTJSA-N 315.325 1.726 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)N(C)C(C)(C)C2=O)c1C 6948233 RWRFLUWCSRRKSA-UHFFFAOYSA-N 303.362 1.915 0 40 DDAB CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cccn2)CC1 71892772 LMSRRXOFPGFUHA-UHFFFAOYSA-N 308.382 1.353 0 40 DDAB Cc1ncsc1C(=O)N1CCC(Nc2cccnn2)CC1 71863379 XZRAIEUIDNSHTR-UHFFFAOYSA-N 303.391 1.958 0 40 DDAB O=c1cc(CSC[C@@H](O)CO)c2cc3c(cc2o1)CCC3 95407556 JVBILTDAXJYTAA-ZDUSSCGKSA-N 306.383 1.868 0 40 DDAB CN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1 71921665 QSLHBXYBYVQEFC-UHFFFAOYSA-N 302.302 1.915 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)NCC(=O)N1CCCCC1 87057368 KPLQIVYZHYYYDR-UHFFFAOYSA-N 321.396 1.988 0 40 DDAB CC1(C)C[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C(=O)O1 95435814 HNBVNOVJSGBHIP-ZDUSSCGKSA-N 316.357 1.859 0 40 DDAB O=C(NC1CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8034803 CPLUQCGYMLEZTH-JTQLQIEISA-N 302.330 1.089 0 40 DDAB COc1ccc(-n2cnnc2SCCn2cccn2)cn1 70040431 HYHJUZJHUUNNCU-UHFFFAOYSA-N 302.363 1.660 0 40 DDAB CCc1nnc2n1CCN(C(=O)C[C@@H](C)n1nc(C)cc1C)C2 69486187 RVUOOVQGGORGKO-CYBMUJFWSA-N 316.409 1.647 0 40 DDAB Cc1ccc(N2CCCN(C(=O)[C@H](C)n3cccn3)CC2)nn1 69518167 GTNZRNMTQULGJT-AWEZNQCLSA-N 314.393 1.281 0 40 DDAB CO[C@@H](C(=O)N[C@H](C)C(=O)NC1CCCC1)c1ccccc1 69588317 MJHIWYLGHZFSOQ-IUODEOHRSA-N 304.390 1.938 0 40 DDAB CCN(CC(=O)NC)C(=O)[C@@H](C)NC(=O)CC1CCCCC1 69628945 KGDIRJOWZBSCKC-GFCCVEGCSA-N 311.426 1.056 0 40 DDAB C[C@@H](NC(=O)N1CC[C@@H](C(N)=O)C1)C(C)(C)c1ccccc1 69631726 QTQYMTPLEOKWMT-CHWSQXEVSA-N 303.406 1.870 0 40 DDAB Cc1cc(C)n(CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)n1 17732636 VFFYWSCOZUWGNP-FZMZJTMJSA-N 307.394 1.738 0 40 DDAB Cc1nc(CNC(=O)Cn2c(C3CC3)nc3ccccc32)no1 72288326 YHTRZRRUJPPFRO-UHFFFAOYSA-N 311.345 1.922 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 69810344 WOBGHEWLIFIDNG-OAHLLOKOSA-N 324.396 1.289 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 72235305 SHSNSNUGTGJJJV-LLVKDONJSA-N 320.422 1.786 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282856 ZSRHVBNFWKHQMD-YPMHNXCESA-N 307.398 1.343 0 40 DDAB NC(=O)CNC(=O)c1cccc(OC(=O)c2ccccc2F)c1 69929345 AMFKKJWJSIECKS-UHFFFAOYSA-N 316.288 1.260 0 40 DDAB Cc1cc(NC(=O)NCCCNC(=O)c2cccs2)n(C)n1 72278455 JCQLINDRWBJZBN-UHFFFAOYSA-N 321.406 1.732 0 40 DDAB CN(C)C(=O)CCNC(=O)NCc1coc(-c2ccccc2)n1 73742507 AKOQPFBFFWBFCP-UHFFFAOYSA-N 316.361 1.619 0 40 DDAB Cc1cn2nc(N3CCC(N4CCN(C)C4=O)CC3)sc2n1 72276409 RQUWKZOMBOMNKN-UHFFFAOYSA-N 320.422 1.435 0 40 DDAB O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@@H](NC2(CO)CC2)C1 97100354 CBIBQBYWLQOUHT-OLZOCXBDSA-N 314.385 1.708 0 40 DDAB O=C(Cc1cccc(O)c1)NC[C@H](O)Cc1ccc(F)cc1F 97136774 YAJBKXWMRWMUHN-OAHLLOKOSA-N 321.323 1.933 0 40 DDAB Cc1cccc(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)c1 96002895 FCDHNCOIAHCUAZ-AWEZNQCLSA-N 312.373 1.484 0 40 DDAB Cc1csc([C@@H](C)CNC(=O)NCCc2cnn(C)c2)n1 96013786 LKJWLSUOIJPGIX-JTQLQIEISA-N 307.423 1.830 0 40 DDAB CN1CCN(c2ncc(CN3CCc4ccccc43)cn2)CC1 96003249 PYIKBUMKHCFGHJ-UHFFFAOYSA-N 309.417 1.791 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1nnc(C3CC3)o1)CC2 72302275 YBTHLKUKMYHBSB-UHFFFAOYSA-N 301.350 1.082 0 40 DDAB CC(C)n1ccc(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 72300510 MWUPZWRFNWHNEM-ZBFHGGJFSA-N 320.437 1.186 0 40 DDAB Cc1ccccc1[C@@H](C)NCC(=O)NC[C@H]1CCS(=O)(=O)C1 95984216 OIDGVZZYOHGFIF-ZIAGYGMSSA-N 324.446 1.197 0 40 DDAB C[C@]1(C(=O)N2CCC(C(=O)O)(n3cccn3)CC2)CCCCO1 72434313 ATPNHEYNHLMPNT-OAHLLOKOSA-N 321.377 1.245 0 40 DDAB C[C@H]1C[C@@H](OC(=O)c2cncc(Br)c2)C(=O)O1 95955842 DZSUTQVUIYBJSN-IMTBSYHQSA-N 300.108 1.705 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 84697558 YSLMYWBILRTZNX-RDBSUJKOSA-N 302.440 1.607 0 40 DDAB CCC(=O)NC1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 75067430 YDQBKMBHLJTCNG-UHFFFAOYSA-N 324.446 1.815 0 40 DDAB NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)O1 89768357 UYASKOZYZLYFMT-KWQFWETISA-N 317.172 1.756 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1nccc2ccccc12 89919977 YOLWEELEUWEHCH-NWDGAFQWSA-N 318.398 1.882 0 40 DDAB CN1CCN(C2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1=O 75604099 YRKXNMWGJRNFKS-OAHLLOKOSA-N 316.405 1.045 0 40 DDAB OCCNCCNCc1cccc(OCc2ccccc2)c1 23468984 QHGWCWIBVWKTSP-UHFFFAOYSA-N 300.402 1.937 0 40 DDAB Cn1cnc2cc(CNC(=O)N3C[C@H](N)C4(CCC4)C3)ccc21 1551470573 RPGZARDUNDCITL-HNNXBMFYSA-N 313.405 1.596 0 40 DDAB COc1ccc(C)c2c1N(C(=O)CCn1cncn1)CCC2 79095265 XKOHHGUJLZHFDW-UHFFFAOYSA-N 300.362 1.965 0 40 DDAB CN(C)C(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 306138743 SGFKWHPFFFBKAY-CYBMUJFWSA-N 307.419 1.840 0 40 DDAB COc1cc(C)c(S(=O)(=O)N(C)CCC(=O)O)cc1C 32185961 GSRUBMWWIPRDIM-UHFFFAOYSA-N 301.364 1.407 0 40 DDAB COCC[C@H]1CO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]12 306143830 YNRJREKPZKSWCB-ZQIUZPCESA-N 305.374 1.899 0 40 DDAB Cc1sc(-n2cnnn2)c(C(=O)NCc2cccnc2)c1C 524735346 VSSLBEIZRYSYRC-UHFFFAOYSA-N 314.374 1.666 0 40 DDAB O=C1CC[C@H](C(=O)NCCCO[C@H]2CCCc3ccccc32)N1 72821168 BCSGIYHKBMVENC-CVEARBPZSA-N 316.401 1.866 0 40 DDAB C[C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCO1 44893018 PMUSAAMPFPYHCE-LLVKDONJSA-N 303.811 1.834 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@@H]1c1cccc(F)c1 72241791 XLHXNROXIKZDCP-GJZGRUSLSA-N 306.337 1.346 0 40 DDAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cn1cnnn1 187062122 DVBVCDKUZCKDEE-MFKMUULPSA-N 321.768 1.315 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC(n2ccnc2)CC1 79354240 CMOCSHCOVSJXCF-UHFFFAOYSA-N 302.378 1.772 0 40 DDAB COCC1CCN(c2ccc(C[C@@H]3CCCNC3)nn2)CC1 72387409 SKPVDPWNQUZQAV-HNNXBMFYSA-N 304.438 1.882 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)cc1 75156317 RXHNFHCWRBXFHF-HNNXBMFYSA-N 323.370 1.668 0 40 DDAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223562055 RKNVWRHBDGIYHF-ZIAGYGMSSA-N 303.387 1.948 0 40 DDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc(F)cc1 41605937 GTZDDLZZFRAYLG-VIFPVBQESA-N 324.337 1.519 0 40 DDAB C[C@@H](O)CNC(=O)NCCc1nccn1Cc1ccccc1 47674566 YHXQKYPYLPUULJ-CYBMUJFWSA-N 302.378 1.154 0 40 DDAB CC[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1nc(C)n[nH]1 195533852 ASOBMXRHPXGXIW-LBPRGKRZSA-N 319.340 1.250 0 40 DDAB CC(C)NC(=O)CCNC(=O)[C@@]1(C)CC(c2cccs2)=NO1 226747719 IKFRPJDDSCESHL-OAHLLOKOSA-N 323.418 1.662 0 40 DDAB CCC(CC)CN1C[C@@H]2OCCN(Cc3cnn(C)c3)[C@@H]2C1 96248764 JKAONEMANUUGHX-SJORKVTESA-N 306.454 1.741 0 40 DDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cn1 95475032 WLCHJZFDPSTNNR-JTQLQIEISA-N 324.344 1.288 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@H](N)c1ccc(Br)cc1 96525167 GIERIORZEVCWSX-WDEREUQCSA-N 322.224 1.245 0 40 DDAB COCCN1CCC2(CC1)CN(C(=O)c1cccs1)CCO2 96158931 NJANOUILJOQITF-UHFFFAOYSA-N 324.446 1.702 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cn1 96229668 UMWZVKXQGTYVKO-MRXNPFEDSA-N 302.378 1.402 0 40 DDAB CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1cccc(N)c1 96521382 ZVSIZCCHRHIFQA-WDEREUQCSA-N 322.224 1.848 0 40 DDAB O=C(NCc1cn2c(n1)CN(Cc1ccco1)CC2)C1CCC1 96059466 IOYDWLZEBHYTCC-UHFFFAOYSA-N 314.389 1.908 0 40 DDAB O=C(COCC1CC1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 96455997 XQQQKFKEYUSFSY-AWEZNQCLSA-N 322.792 1.988 0 40 DDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN([C@@H]1CCOC1)CC2 96069802 PCUQNZOMERBBOM-HZPDHXFCSA-N 315.417 1.651 0 40 DDAB c1ncn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)n1 96197361 KMOQMLDSOLCAMX-UHFFFAOYSA-N 300.391 1.600 0 40 DDAB C[C@H]1CCN(c2cc(-n3cccn3)nc(N)n2)C[C@@H]1n1ccnc1 92921867 IKKNRFMAXVXZAR-STQMWFEESA-N 324.392 1.529 0 40 DDAB c1cnc(N2CCC[C@]3(C2)CN(C2CCOCC2)CCO3)nc1 96226491 UDVWZOKMLPGEOP-QGZVFWFLSA-N 318.421 1.327 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 97238576 SLXSYONITCYFAJ-SUNKGSAMSA-N 324.327 1.042 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181901 IKCWPEGKOUTTNM-HIFRSBDPSA-N 308.353 1.498 0 40 DDAB CCOCCC(=O)N1CCN(c2nncc3ccccc23)CC1 96418517 SGZIOMGUGFTPPD-UHFFFAOYSA-N 314.389 1.705 0 40 DDAB CCOCCC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 96410220 NXUZHQMSZPMNED-HNNXBMFYSA-N 320.437 1.135 0 40 DDAB CCOC(=O)[C@H]1C(=O)OC[C@@H]1c1cc(OC)c(OC)c(OC)c1 252492338 MJFATMGGXKBQHS-MFKMUULPSA-N 324.329 1.532 0 40 DDAB Cc1noc([C@@H]2CN(S(C)(=O)=O)C[C@@H]2c2ccccc2)n1 253472056 INAAWLYMFTUESR-CHWSQXEVSA-N 307.375 1.521 0 40 DDAB C[C@]12CCN(C(=O)CN)[C@H]1CCC(=O)N2Cc1ccccc1 257321232 WASNXGLKUXSLLQ-YOEHRIQHSA-N 301.390 1.127 0 40 DDAB c1csc(CN2CC3(CC[C@H](CN4CCOCC4)CO3)C2)n1 253595741 HYRXFLQXVVTFOM-CQSZACIVSA-N 323.462 1.456 0 40 DDAB CCC(=O)N1CCOCC2(CC(Cc3nc(N)ncc3F)C2)C1 257302916 SEZHNDBKDCCYGI-UHFFFAOYSA-N 322.384 1.406 0 40 DDAB Nc1nc(N)c2c(n1)OC1(CCN(Cc3cscn3)CC1)C2 257312393 UNSSVMNOCYBBHC-UHFFFAOYSA-N 318.406 1.067 0 40 DDAB O=C(NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O)c1cc[nH]n1 585285925 UGROHUPFFBJGLC-VCTAVGKDSA-N 319.336 1.497 0 40 DDAB O=C(CCc1nc(C2CC2)no1)N1CCC[C@@H](n2cncn2)C1 76018791 HOASVIDEQNLPCP-GFCCVEGCSA-N 316.365 1.335 0 40 DDAB Cc1ccnc2nc(C(=O)NC[C@](C)(O)c3ccsc3)nn12 76092438 YAWQWEPGEZAIMW-AWEZNQCLSA-N 317.374 1.132 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC(c2nc[nH]n2)CC1 83442405 OAQHFACCAWKJMI-ZDUSSCGKSA-N 303.341 1.350 0 40 DDAB CC(=O)Nc1nc(NC(C)=O)n2c(-c3ccccc3)nnc2n1 5291688 WMGGLJGGSHFTEJ-UHFFFAOYSA-N 311.305 1.103 0 40 DDAB O=S(=O)(O)c1ccc(NC[C@@H](O)COc2ccccc2)cc1 5338463 TYXRSAAWJPBGDQ-CYBMUJFWSA-N 323.370 1.785 0 40 DDAB COCC(=O)N1CCCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12337806 OUUHIOWLIXFEGQ-ZDUSSCGKSA-N 318.377 1.752 0 40 DDAB Cc1c(C(=O)N2N=C2SCC(N)=O)sc(=S)n1C 13720598 JBPCYKQQAULBIT-UHFFFAOYSA-N 302.406 1.070 0 40 DDAB CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)no1 17031685 DBAAUTFTBPGWEZ-MDSNHJATSA-N 308.334 1.789 0 40 DDAB CC(=O)N1CCc2nc([C@H]3CCN(c4ncccn4)C3)ncc2C1 19018779 MUXWFTCGOSGFCR-ZDUSSCGKSA-N 324.388 1.165 0 40 DDAB CCOc1ccc(N2C(=O)C[C@H](NC[C@H]3CCCO3)C2=O)cc1 19533487 BMWJYAWLINOLDK-CABCVRRESA-N 318.373 1.486 0 40 DDAB COCC1(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 539564438 ZBFGUCBSOOUKOV-UHFFFAOYSA-N 324.743 1.969 0 40 DDAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 1472326 JVWJLNZGOPOWTF-UHFFFAOYSA-N 321.358 1.738 0 40 DDAB NC(=O)C1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 3503886 VXRXPTAFSYREES-UHFFFAOYSA-N 313.760 1.615 0 40 DDAB CNC(=O)NC(=O)[C@H](OC(=O)c1cccn1C)c1ccccc1 3558249 IXPAPIRDPNGCIK-CYBMUJFWSA-N 315.329 1.379 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N1CCc2ccccc21 4871285 QMUDCAXIYLGCQJ-NSHDSACASA-N 303.314 1.396 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Cl)c2)c1 14141129 YBOFNWRBTBPHTD-UHFFFAOYSA-N 320.732 1.927 0 40 DDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 24685879 NKCHLLBZKJKAPO-GFCCVEGCSA-N 316.810 1.629 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ncc(OC)cn1)[C@@H]2C 1614938601 XDMREDIREQTNOJ-SNVBAGLBSA-N 317.349 1.045 0 40 DDAB Cc1ccc(-n2ccn(C[C@H]3CCCO3)c(=O)c2=O)cc1F 2086968276 MZJUTZZUWGGCCT-CYBMUJFWSA-N 304.321 1.626 0 40 DDAB COCCN1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CC1=O 1565545960 SODMCZTXLVIWAT-UHFFFAOYSA-N 305.378 1.116 0 40 DDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(SC)n[nH]1 4776204 UUSHPSLVBFCFIZ-JTQLQIEISA-N 322.346 1.825 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)nn1 1775967785 DEUOBTMWBLRUSO-LLVKDONJSA-N 318.358 1.600 0 40 DDAB COCCNC(=O)CCn1cnc2c([nH]c3ccccc32)c1=O 35423878 PCJTYCDRKSLDKQ-UHFFFAOYSA-N 314.345 1.031 0 40 DDAB O=C(Nc1c(F)cccc1F)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585386542 DFCWPTQXRKCHTN-RKDXNWHRSA-N 321.283 1.186 0 40 DDAB O=C(N[C@H](Cc1ccccc1C(=O)O)C(=O)O)c1ccccc1 148701252 ZIONPGLGITVPNO-CQSZACIVSA-N 313.309 1.811 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 40477430 DCZPOFUBBDILSC-JSGCOSHPSA-N 304.346 1.161 0 40 DDAB CCCn1nc(C(=O)NC[C@@H](c2ccco2)N(C)C)ccc1=O 40459526 BAZWPSGPDQOWOY-ZDUSSCGKSA-N 318.377 1.279 0 40 DDAB Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)CCO3)c2ccccc21 31374881 FTLIYYYFGAZLQU-UHFFFAOYSA-N 323.352 1.914 0 40 DDAB C[C@@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)c1ccccn1 40553414 XUJTTWOVRSVCTC-SECBINFHSA-N 323.349 1.359 0 40 DDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C 40549129 LWYCJRKVRQFETD-STQMWFEESA-N 310.419 1.578 0 40 DDAB Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cn1 40539043 XDACKLDSCWRMPG-UHFFFAOYSA-N 303.406 1.574 0 40 DDAB CNC(=O)c1ccc(CNC(=O)c2cccnc2S)cc1 31938913 IAMVQGHBOIVNSA-UHFFFAOYSA-N 301.371 1.660 0 40 DDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC(F)(F)F 101395650 QSZXIPSAJHMKDH-VGANXODHSA-N 310.341 1.923 0 40 DDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101639815 CBLNBEGODMNXCP-WUGNMRFOSA-N 303.362 1.429 0 40 DDAB CC1=NN(C)C(=O)[C@@H]1C(=O)NCCCOCCc1ccccc1 101901969 UPHMEVUNFZSKSV-HNNXBMFYSA-N 317.389 1.216 0 40 DDAB CC(=O)N[C@@H](Oc1cc(C)nc(N)n1)C(Cl)(Cl)Cl 494741 GESIOVPOGMOALA-ZETCQYMHSA-N 313.572 1.578 0 40 DDAB O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CCS(=O)(=O)C1 102645428 RXXKKUSYDQFWJK-GFCCVEGCSA-N 320.370 1.393 0 40 DDAB Cc1cc(C)n(CC(=O)N(CCC(N)=O)Cc2ccccc2)n1 53338010 IWEROIFZBKBOCF-UHFFFAOYSA-N 314.389 1.404 0 40 DDAB COCCN(C)CCCNC(=O)c1cc2ccccc2c(=O)[nH]1 42774292 VOBRJLXNALXQAB-UHFFFAOYSA-N 317.389 1.226 0 40 DDAB COc1cc(CN[C@H](C)Cn2ccnc2)cc2c1OCCO2 30909806 OGNYMSKAKWFKJO-GFCCVEGCSA-N 303.362 1.841 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCc1ccc2c(c1)OCCO2 40485076 FQUGNXPCCGPFHV-UHFFFAOYSA-N 301.346 1.738 0 40 DDAB COC(=O)c1csc(CCN2C(=O)c3ccccc3C2=O)n1 1415056 GDZYIEQAJBZOGQ-UHFFFAOYSA-N 316.338 1.768 0 40 DDAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1nnc2n1CCC2 40498467 LHOJWQOEHFITPU-SNVBAGLBSA-N 320.780 1.961 0 40 DDAB CC(=O)c1ccc(NC(=O)C[C@@H](C(=O)O)N2CCOCC2)cc1 2698064 NXXSFKRJSVQGSF-AWEZNQCLSA-N 320.345 1.003 0 40 DDAB COC(=O)c1ccc(I)cc1C(=O)OC 3167807 JVLGGEVUYARXHI-UHFFFAOYSA-N 320.082 1.864 0 40 DDAB Cc1ccc(CN(C)C(=O)[C@H]2CCCCN2S(C)(=O)=O)o1 40493929 SIRQREPWNBXNGR-CYBMUJFWSA-N 314.407 1.361 0 40 DDAB CCCn1c(O)nnc1SCC(=O)Nc1c(C)nn(C)c1C 7113138 KUWPNVLGFXHIEW-UHFFFAOYSA-N 324.410 1.475 0 40 DDAB COc1ccccc1C(=O)NC(=O)CSc1nnc(C)s1 7192820 HYTICOLYSDWMAC-UHFFFAOYSA-N 323.399 1.904 0 40 DDAB CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7310989 NOCPAWNMKSZGQO-UHFFFAOYSA-N 304.799 1.730 0 40 DDAB CN(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1 59370907 FUTCCLBOPQVPFX-UHFFFAOYSA-N 304.390 1.484 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1OC 45743355 ZSFJPKWRISBGPB-JTQLQIEISA-N 301.364 1.019 0 40 DDAB C[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1ccccc1 69897869 RTJHZKGCUUALFV-ZFWWWQNUSA-N 303.406 1.833 0 40 DDAB Cn1ccc(NC(=O)CCn2cnc3sccc3c2=O)n1 21469557 QIKOMOTXYWMVAA-UHFFFAOYSA-N 303.347 1.220 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccccc2Br)C1 41128914 ZHUHKYFZVWUUME-MVIFTORASA-N 323.190 1.796 0 40 DDAB CCc1cc2c(S[C@@H](C)C(=O)NC(N)=O)ncnc2s1 2618581 RHHCDRUXTVEWPK-LURJTMIESA-N 310.404 1.929 0 40 DDAB Cc1csc(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)n1 32914351 KVKFRFJSTWRAHN-UHFFFAOYSA-N 314.392 1.282 0 40 DDAB CC(C)Cn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425693 UMOZYVQWHLVYGO-LLVKDONJSA-N 319.409 1.316 0 40 DDAB Cc1ccccc1NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 33048489 DRRSLUQAOJQEDZ-UHFFFAOYSA-N 322.342 1.704 0 40 DDAB CCCCc1nc(CN2CCC3(CC2)C(=O)NCCN3C)c[nH]1 67935228 MADJHJLRSHTTNF-UHFFFAOYSA-N 319.453 1.149 0 40 DDAB C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)[C@H]1CCCO1 23196542 SPVATIGUPWSSFL-BXUZGUMPSA-N 301.346 1.080 0 40 DDAB Cc1cc(C)n2nc(C(=O)n3cccc/c3=N\C(C)C)nc2n1 23196863 HYEBUHMEWMVGFC-GHRIWEEISA-N 310.361 1.540 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263726 ACGUUKVEMMOXJK-RCCFBDPRSA-N 314.429 1.845 0 40 DDAB Cc1cc(C)c(CNC(=O)CN(C)Cc2ccccc2)c(=O)[nH]1 75125784 VPTVYLKBFMNJKR-UHFFFAOYSA-N 313.401 1.740 0 40 DDAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc2ccccn12 15972718 UAQJVPMJERPSNX-SNVBAGLBSA-N 310.313 1.949 0 40 DDAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 24134847 XMORZKCZUWOHBV-LLVKDONJSA-N 301.346 1.588 0 40 DDAB COC(=O)NCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 55018483 YAAFTTHIBQNVSE-UHFFFAOYSA-N 323.330 1.362 0 40 DDAB Cc1nnc2ccc(N3CCC(O)(C(F)(F)F)CC3)nn12 89637371 DGIBEDLSSRZNFP-UHFFFAOYSA-N 301.272 1.326 0 40 DDAB CCCCNC(=O)NC(=O)Cn1cnc(C2CCC2)cc1=O 89705673 XGCOMIYFYFKPAY-UHFFFAOYSA-N 306.366 1.137 0 40 DDAB Cc1c(CCC(=O)NCc2ccc3c(c2)OCO3)cnn1C 28577015 HJGFOZPRJNHZNY-UHFFFAOYSA-N 301.346 1.706 0 40 DDAB COc1ccc(-n2ccc(C(=O)Nc3c[nH]ccc3=O)n2)cc1 55250046 FOZHFLMSTOFFMO-UHFFFAOYSA-N 310.313 1.822 0 40 DDAB Cc1ccccc1N(CCCC(=O)NC1CC1)S(C)(=O)=O 113967675 SUJGQZYMLSWTKV-UHFFFAOYSA-N 310.419 1.820 0 40 DDAB Cc1cn2c(n1)[C@H](CNCc1c(C)nn(CCO)c1C)CCC2 89702106 DOVDHVNFBGPVHE-HNNXBMFYSA-N 317.437 1.664 0 40 DDAB O=C(NCCn1ccnc1)[C@H]1CCCN(Cc2ccccc2)C1 57170757 GDTKULBCJJQDLC-KRWDZBQOSA-N 312.417 1.912 0 40 DDAB O=C(COC(=O)c1cc[n+]([O-])cc1)NCCCc1ccccc1 7681962 NUWXLKRPALVFEI-UHFFFAOYSA-N 314.341 1.226 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(c3nc(C)cs3)CC2)C1 110668340 NUULIFSCPNKZOH-BFHYXJOUSA-N 324.446 1.943 0 40 DDAB CCCNC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 3365235 WBCHUJAPXZAHFT-UHFFFAOYSA-N 304.346 1.496 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCOC2=O)c1 3384700 CYQKPCWEAAJMQN-JTQLQIEISA-N 318.734 1.216 0 40 DDAB CC[C@](C)(CNC(=O)N[C@@H](C)Cn1cccn1)N1CCOCC1 48276488 NBBYYMQCFLVINO-GOEBONIOSA-N 323.441 1.072 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)OCO3)CS2 3437313 LKCICQIOJFQHRY-ZUZCIYMTSA-N 320.370 1.808 0 40 DDAB CCOC(=O)N1CCC(NC(=O)Cc2ccc(OC)cc2)CC1 24471030 OQCWIPGGBFBTFI-UHFFFAOYSA-N 320.389 1.975 0 40 DDAB C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)CC(N)=O 49003630 FLTYGDSHAYURMO-SSDOTTSWSA-N 311.281 1.546 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 13260842 FCCXZBMVPHRHCG-LBPRGKRZSA-N 305.330 1.785 0 40 DDAB CNS(=O)(=O)c1cc(OC)c(OC)cc1Br 8055043 DDLOQCYMDABSIK-UHFFFAOYSA-N 310.169 1.374 0 40 DDAB NC(=O)C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 16694679 MXBCSIPDWKXLPP-UHFFFAOYSA-N 310.781 1.904 0 40 DDAB C[C@H](NC(=O)CSc1nnnn1C)c1cc2ccccc2o1 8100727 XQAFPSKJXQWJEQ-VIFPVBQESA-N 317.374 1.926 0 40 DDAB CCC(C)(C)[C@H]1CCCN1CC(=O)N1CCC[C@H](C(N)=O)C1 89941984 HEVYDUGNIWQVDI-UONOGXRCSA-N 309.454 1.611 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCO[C@@H](Cn2cccn2)C1 69456262 LGKFATRFYCWRGX-GFCCVEGCSA-N 309.801 1.479 0 40 DDAB CCCC(=O)N[C@@H]1CCCN(c2cccc(C(=O)NC)n2)C1 89949370 BDOXIKLJDMVYDF-GFCCVEGCSA-N 304.394 1.326 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc[nH]3)ccc12 6188551 VOLGUYVVJKKMEX-UHFFFAOYSA-N 300.274 1.237 0 40 DDAB biogenic O=C(CSc1nnnn1C1CC1)N1CCc2ccccc21 8232088 KPTRJYZPTBGHSJ-UHFFFAOYSA-N 301.375 1.689 0 40 DDAB O=C(NC[C@@H]1COCCO1)c1cccnc1SC(F)(F)F 70013270 GMSRWLXRAOYULB-MRVPVSSYSA-N 322.308 1.839 0 40 DDAB COC(=O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1 69417171 DTKNJIMUADIKPZ-UHFFFAOYSA-N 312.373 1.439 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(-c3cccnc3)on1)C2 65463537 SHMSBRPYABVBEP-CYBMUJFWSA-N 323.356 1.986 0 40 DDAB CCn1cc(C2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)cn1 65462697 MXNWVTIPLPROPV-AWEZNQCLSA-N 320.437 1.330 0 40 DDAB Cc1nc(CNCc2ccc(N3CCN(C)CC3)nc2)cs1 65613438 HVZUCIQFJFOOGG-UHFFFAOYSA-N 317.462 1.888 0 40 DDAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCCC1 5439063 WEDNDZNQHXCLLN-UHFFFAOYSA-N 308.403 1.853 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1CCC[C@H]1Cn1cncn1 69588223 LPOQWMQIZQFXOR-AWEZNQCLSA-N 319.434 1.463 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)CCc2cccnc2)c1 14518250 MZYQGZJHFGXFOE-UHFFFAOYSA-N 308.345 1.843 0 40 DDAB CCCc1cc(NCCNc2ccc(C)nn2)n2ncnc2n1 69631774 QAPOETGPRLYJQC-UHFFFAOYSA-N 312.381 1.699 0 40 DDAB C[C@@H]1CN(C[C@@H]2CCCCO2)CCN1c1ccc2nncn2n1 69740974 ZTOQIZWEFPNNAU-KGLIPLIRSA-N 316.409 1.204 0 40 DDAB c1ccc(-n2nnnc2N2CCN(c3nccs3)CC2)cc1 8778315 HJJJLZZXKJUWEE-UHFFFAOYSA-N 313.390 1.445 0 40 DDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCOC1=O 8733901 WIDBALKORNWHNA-SECBINFHSA-N 302.252 1.290 0 40 DDAB C[C@@H](C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O)n1cccn1 71841550 NBLZDWBVXGFFLH-WCQYABFASA-N 318.352 1.044 0 40 DDAB CC(C)C(=O)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19909698 YMRGAGUCUZDSRG-SECBINFHSA-N 303.617 1.787 0 40 DDAB Cc1noc([C@@H]2CN(S(=O)(=O)CC(C)(C)C)CCN2C)n1 408027203 JLZJDNHROAWINI-NSHDSACASA-N 316.427 1.042 0 40 DDAB CS(=O)(=O)N1CCCN(CCSc2ccccc2)CC1 71907451 ZFSASHVZJJEJEV-UHFFFAOYSA-N 314.476 1.746 0 40 DDAB CCn1cnnc1CNC(=O)N[C@H]1CCc2c(O)cccc21 71920319 AXPVOISALYYPME-LBPRGKRZSA-N 301.350 1.490 0 40 DDAB Cc1cnn(C2CN(CC(=O)NCCOc3ccccc3)C2)c1 72253842 NGOFKUOIGQONMU-UHFFFAOYSA-N 314.389 1.243 0 40 DDAB C[C@@H]1CCOCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 97082856 ABTCUTCHGDTFLL-SECBINFHSA-N 324.324 1.900 0 40 DDAB Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1 78982726 UPHQOKZWEYXEQW-UHFFFAOYSA-N 306.347 1.106 0 40 DDAB CN1C[C@@H](NC(=O)Nc2ncc(-c3ccccc3)s2)C(=O)N1 97101497 IPKWIOKVOPSBBR-SNVBAGLBSA-N 317.374 1.277 0 40 DDAB CC(C)C[C@H](C)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 87896014 CYGCYCVUUKDPIG-VIFPVBQESA-N 302.371 1.638 0 40 DDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 95438403 XYBYRBYOODXNTB-KFWWJZLASA-N 315.373 1.743 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ncnc3[nH]ncc13)CC2 95400833 MNNMZOJPWQKWAE-VXGBXAGGSA-N 303.366 1.109 0 40 DDAB CC(C)n1cc([C@@H](C)NC2CCN(CC(=O)N(C)C)CC2)cn1 95422254 YCBRZKWNMJEMAJ-CQSZACIVSA-N 321.469 1.667 0 40 DDAB Cc1ccc(C[C@@H](CNC(=O)c2cnsn2)C(=O)O)cc1 95425431 LZWPDUJNBRKKPM-NSHDSACASA-N 305.359 1.520 0 40 DDAB O=C(NCCNC(=O)[C@H]1CC12CCOCC2)C1CCCCC1 98018431 ASILQEHLGISRSB-CQSZACIVSA-N 308.422 1.616 0 40 DDAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C2=COCCC2)cn1 95976952 PCJXOTBUNVNVKU-AWEZNQCLSA-N 303.362 1.678 0 40 DDAB CCCCc1ccc(-n2c(=O)[nH]c(C)c(CC(=O)O)c2=O)cc1 20156515 AJOJZQMELNARCC-UHFFFAOYSA-N 316.357 1.804 0 40 DDAB C[C@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccccc1 547895555 HXAYNPWVNFOZMC-GFCCVEGCSA-N 320.370 1.746 0 40 DDAB O=C(NCCc1cccc(O)c1)N[C@H]1CCn2ccnc2C1 548281441 ILLMJROUOYXPNB-ZDUSSCGKSA-N 300.362 1.445 0 40 DDAB CCOC(=O)c1cn(CC(=O)OC)c2ccc(F)cc2c1=O 78400841 GBJXNCKAGNOABR-UHFFFAOYSA-N 307.277 1.490 0 40 DDAB COc1c[nH]c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1=O 524733680 FEDHXICTVQOWQN-UHFFFAOYSA-N 311.301 1.421 0 40 DDAB O=C(CN1CCNC(=O)[C@H]1c1cccs1)Nc1ccccc1 72800468 WXGDLGQDXSZHTB-OAHLLOKOSA-N 315.398 1.860 0 40 DDAB Cn1cc(NC(=O)c2cccc3ccccc23)c(=O)n(C)c1=O 74955126 LFTDDXKVGRGSNR-UHFFFAOYSA-N 309.325 1.490 0 40 DDAB COc1c([C@@H]2ON=C(C(=O)O)[C@H]2C)cc2c(c1OC)OCO2 35327393 ITGBMRBTMORXHR-LHLIQPBNSA-N 309.274 1.581 0 40 DDAB CCC(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 33748480 NZQLITAKGMYCMY-UHFFFAOYSA-N 306.435 1.661 0 40 DDAB CC(=O)N1CCC[C@H](c2cncc(NC3CCOCC3)n2)C1 72365466 XRCYBTSPBFSTGQ-ZDUSSCGKSA-N 304.394 1.793 0 40 DDAB O=C(CN1CCc2ccccc2C1)NC(=O)NCC(F)(F)F 35307446 NSMBIPQFTNHFNI-UHFFFAOYSA-N 315.295 1.433 0 40 DDAB O=C(O)c1ccc(OC[C@H](O)CN2CCOCC23CCC3)cc1 566362919 YDPZXBWHEXLZLZ-CQSZACIVSA-N 321.373 1.379 0 40 DDAB CN(C(=O)CN)C1CCN(C(=O)OCc2ccccc2)CC1 79392857 MOQWJDLPVPDIIC-UHFFFAOYSA-N 305.378 1.205 0 40 DDAB O=C(NCc1ccc(F)cc1)[C@@H]1CCN(c2ncccn2)C1 72366467 BXYSLGQHAKGMBJ-CYBMUJFWSA-N 300.337 1.758 0 40 DDAB C[C@@H]1C[C@H](OC(=O)CCCn2c(=O)oc3ccccc32)C(=O)O1 60889407 FSQWLEGIPUIXFZ-MFKMUULPSA-N 319.313 1.622 0 40 DDAB CC(C)(C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224193674 YWFIEZKLZUUIRY-UHFFFAOYSA-N 316.398 1.502 0 40 DDAB CC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NC[C@@H](C)O)cc1 199413659 OJQIOSBCNWCJAR-LLVKDONJSA-N 316.361 1.250 0 40 DDAB O=C(NCc1c(F)cccc1F)c1nc(-c2cnccn2)no1 44122556 QSELLNHWZXFWSF-UHFFFAOYSA-N 317.255 1.735 0 40 DDAB O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)c1ccccc1C(F)(F)F 85468824 BQKKJMMHRFRISF-YGOYTEALSA-N 303.280 1.567 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1csc(-c2ccc(C)o2)n1 1579123175 JUJLSVWZCXMRLS-BXKDBHETSA-N 307.375 1.428 0 40 DDAB CSC[C@](C)(O)CNC(=O)c1cc2ccccc2oc1=O 75157255 LMZBKKRFLTYFCD-OAHLLOKOSA-N 307.371 1.637 0 40 DDAB biogenic Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(=O)NC(C)(C)C 91595047 RKDKOZSIWYRAIC-GFCCVEGCSA-N 321.425 1.788 0 40 DDAB C[C@@H]1OCC[C@@]1(C)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 332881060 VTJPPEKYCZVIFC-WOSRLPQWSA-N 319.409 1.312 0 40 DDAB O=C(c1cccnc1)N1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 96158171 JOSOOLHZKSVOAV-AEFFLSMTSA-N 315.417 1.799 0 40 DDAB COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cccs2)O1 96055570 DLXCRZWGUDEPFC-MCIONIFRSA-N 310.419 1.243 0 40 DDAB CC(C)c1cc(C(=O)N2CCOCC2)nc(N2CCCC2)n1 96101182 URHSMDDXHIGRKJ-UHFFFAOYSA-N 304.394 1.673 0 40 DDAB COCCN1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 96045000 OHJQXVQZDLZJLZ-HNNXBMFYSA-N 323.437 1.409 0 40 DDAB O=C(CCCn1ccnc1)N1CCC2(CC1)OCCC[C@@H]2O 257296753 REGKPXCEKDJVFW-AWEZNQCLSA-N 307.394 1.196 0 40 DDAB c1cncc(CN2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)c1 253596886 XMTJRWQNHBBODE-KRWDZBQOSA-N 317.433 1.395 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)N2[C@H](C)CCC[C@H]2C)CC1 252586184 OAGIPANDPOOSSY-BZUAXINKSA-N 310.486 1.985 0 40 DDAB CC(C)c1ncc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)cn1 257207816 BJKKJGGRIXALCF-CQSZACIVSA-N 319.405 1.746 0 40 DDAB CNc1cc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1 257319380 VSDRSSRTZUDEDB-LBPRGKRZSA-N 321.406 1.415 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(NC)n1 257201377 AHLNEOCQPSCLPZ-LLVKDONJSA-N 318.406 1.910 0 40 DDAB Cc1cc2nc(C3CCN(C(=O)c4ccnnc4)CC3)ccn2n1 257215113 COSYKXSGVFTVQW-UHFFFAOYSA-N 322.372 1.848 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)cc1C 575424502 TUPKDMBHTXCVDO-LBPRGKRZSA-N 315.416 1.201 0 40 DDAB O=C(CN1CC[C@H](Cc2ccccc2F)[C@H](O)C1)NC1CCC1 585279448 MKXOFALDQLXRBM-RHSMWYFYSA-N 320.408 1.720 0 40 DDAB COCC(=O)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1 585180228 XPSCPTCIRAKIMV-UHFFFAOYSA-N 315.377 1.294 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2c(F)cccc2Cl)[C@@H]1O 585287044 RHLOMJDJPDQCNY-FZQKWOKYSA-N 303.761 1.591 0 40 DDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccnc(C)c2)C1 585276314 GEHFAYUHZAALPE-MRXNPFEDSA-N 305.378 1.277 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)NC[C@H]1CCCO1 44892418 CKTPPBJAZBLEAP-KGLIPLIRSA-N 307.394 1.895 0 40 DDAB C[C@@H](CNC(=O)CN(C)c1ncnc2[nH]cnc12)c1ccccc1 47403321 GBRNTFXTSDRETP-LBPRGKRZSA-N 324.388 1.709 0 40 DDAB CCOCCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 58344787 FWDAMEFYCDQZLV-UHFFFAOYSA-N 319.405 1.619 0 40 DDAB O=C1NC(=O)[C@]2(CCN(C(=O)c3csc4c3CCCC4)C2)N1 72290693 UOKPPQYHXIKIGV-OAHLLOKOSA-N 319.386 1.051 0 40 DDAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccccc1C(F)(F)F 85468822 BQKKJMMHRFRISF-VDDIYKPWSA-N 303.280 1.567 0 40 DDAB Fc1cnc(N2CCN(Cc3nnc(C4CC4)o3)CC2)nc1 545416140 BYLPFLUTFIYECG-UHFFFAOYSA-N 304.329 1.198 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)C1 71144589 HQTWYPOMVHYQMA-SNVBAGLBSA-N 302.371 1.064 0 40 DDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(F)ccc1F 79051900 NUFKTQZBZQSOCK-UHFFFAOYSA-N 305.346 1.908 0 40 DDAB CCOC(=O)COc1ccc(/C=C2/SC(=O)NC2=O)cc1 1012966 DGPRJJLHBMETII-YRNVUSSQSA-N 307.327 1.952 0 40 DDAB O=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 5250947 FDPLIFSTLIESGZ-UHFFFAOYSA-N 312.325 1.713 0 40 DDAB C[C@H]1CC(=O)c2cnc(NC(=O)CSc3nnc[nH]3)nc2C1 13636063 GERLLDLPULLRDL-SSDOTTSWSA-N 318.362 1.091 0 40 DDAB CCCOc1c(OC)cc(C=NNc2nnn[nH]2)cc1[N+](=O)[O-] 19594154 VKTNZCANDSVLDS-UHFFFAOYSA-N 321.297 1.351 0 40 DDAB Cc1cccnc1CN1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 643913856 JPGSKIJYXJUFEG-OWCLPIDISA-N 309.417 2.503 0 40 DDAB CCc1cnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)nc1 1888850357 VQQVZNGBQYHSAC-AWEZNQCLSA-N 320.462 1.831 0 40 DDAB Cc1nn(CC(=O)N[C@H](C)[C@H]2CCCO2)c(=O)c2ccccc12 27891510 NWNDRAZEUNHJQL-IUODEOHRSA-N 315.373 1.389 0 40 DDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1 28727068 MJUJQUWZJXJRJR-ZDUSSCGKSA-N 319.430 1.965 0 40 DDAB CCCc1sc(C(=O)NCCNS(C)(=O)=O)cc1CC 29678146 LYMUMHMNONECCS-UHFFFAOYSA-N 318.464 1.542 0 40 DDAB O=C(c1ccn(-c2ccccc2)n1)N1CCC2(CC1)OCCO2 32914463 ZIRJKAQVCCONGH-UHFFFAOYSA-N 313.357 1.851 0 40 DDAB CCCC(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O 238931885 VDODRXQHUMHIOB-UHFFFAOYSA-N 310.781 1.977 0 40 DDAB COC[C@@H]1CN(C(=O)CC2(OC)CCC2)Cc2cn(C)nc21 1614934290 QEYKHOFDPCAOHN-ZDUSSCGKSA-N 307.394 1.452 0 40 DDAB CCN1C[C@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)C[C@@H](C1)O2 1565549797 DDVHYUDOKVPMOO-OKILXGFUSA-N 322.380 1.308 0 40 DDAB Cc1nnc(NC(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)s1 14032316 MTLHUXMJVSCBMQ-MRVPVSSYSA-N 323.403 1.387 0 40 DDAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1ccc2nn[nH]c2c1 575619823 MMJWZFYBGSKLPL-UHFFFAOYSA-N 310.317 1.031 0 40 DDAB Cc1noc(CNC(=O)c2csc(Nc3ccccn3)n2)n1 62022551 OUFZWRGYDROZTF-UHFFFAOYSA-N 316.346 1.903 0 40 DDAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)n1C 7234875 ZMJMZKHXHLDHQJ-QMMMGPOBSA-N 319.390 1.342 0 40 DDAB Nc1nc(Cl)cc(Nc2ccc(N3CCOCC3)nc2)n1 40497782 MNTQDHMHQCTRRE-UHFFFAOYSA-N 306.757 1.687 0 40 DDAB Ic1ncnc2c1ncn2[C@H]1CCCO1 1677275 RYQICVCDORWEBG-ZCFIWIBFSA-N 316.102 1.740 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccccn2)C1 40508744 HTCKTJARZTVRCQ-CQSZACIVSA-N 303.406 1.635 0 40 DDAB O=C(CN1C(=O)COc2ccccc21)NCCc1ccsc1 40509545 PZAUPACXGVCFKJ-UHFFFAOYSA-N 316.382 1.832 0 40 DDAB CCNC(=S)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 4888556 FOFSMVAUAIZWTJ-UHFFFAOYSA-N 321.446 1.784 0 40 DDAB COc1cc(CSc2nc(N)cc(N)n2)cc(OC)c1OC 6624861 XCPPNRKADVHANB-UHFFFAOYSA-N 322.390 1.959 0 40 DDAB CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669283 KRTVFAMEWWOEAH-HNNXBMFYSA-N 318.398 1.739 0 40 DDAB COc1ccc(C2=NO[C@H](C(=O)NC3CCN(C)CC3)C2)cc1 20605899 NNDAMCDDQQPIEO-INIZCTEOSA-N 317.389 1.399 0 40 DDAB O=C(NCCCc1ccc(O)cc1)N1CC[C@H](N2CC=CC2)C1 101388564 OZDKQKBGNAFGJE-INIZCTEOSA-N 315.417 1.981 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 8218503 SEMSURVTZBFNGW-JTQLQIEISA-N 316.810 1.629 0 40 DDAB Cc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)C(N)=O)cs2)cc1 46117689 LGDGVWDYTSXCOQ-JTQLQIEISA-N 324.427 1.907 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 8315692 ZMXIWAPAVPZQKE-UHFFFAOYSA-N 310.400 1.967 0 40 DDAB Cc1nccn1CCNC(=O)[C@@H]1CCCN(c2ncccn2)C1 52191566 REHCTURFUBLFEU-CQSZACIVSA-N 314.393 1.014 0 40 DDAB CCN(CC)[C@@H](C)CNC(=O)CCNC(=O)c1cccc(C)c1 32922972 VXQXUDDISBSWSG-HNNXBMFYSA-N 319.449 1.961 0 40 DDAB Cc1cc(C)n2c(CNC(=O)Cc3ccccc3F)nnc2n1 9465997 RSWVNZMHOHKHMT-UHFFFAOYSA-N 313.336 1.739 0 40 DDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 57928272 UQTUWXJNFHUKIQ-AWEZNQCLSA-N 324.446 1.840 0 40 DDAB CCN1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1 22374383 NOKYXLJFOWYOKI-UHFFFAOYSA-N 304.394 1.362 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)N3CCSCC3)cn2)C[C@H](C)O1 53818816 LSSGOQSQNOZPGR-STQMWFEESA-N 321.446 1.884 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2C)CC1 69739933 ZNTOBGYOFCNZAU-KRWDZBQOSA-N 320.433 1.079 0 40 DDAB O=[S@@](CCn1cccn1)Cc1nc(-c2cccs2)no1 69775777 VXDLVSHZHSLJHD-HXUWFJFHSA-N 308.388 1.944 0 40 DDAB Cc1ccccc1CNC(=O)[C@H](C)S(=O)(=O)c1ccccn1 47620801 TUOMBZKYHLIQGN-ZDUSSCGKSA-N 318.398 1.869 0 40 DDAB COCCOCC(=O)Nc1cccc(N2CCCCC2=O)c1 24941643 FXXFLCXLZAWFHQ-UHFFFAOYSA-N 306.362 1.805 0 40 DDAB Cc1ccc(CC(=O)N2CCN(Cc3cscn3)CC2)cn1 55449907 GPXIALGBQMOXEM-UHFFFAOYSA-N 316.430 1.733 0 40 DDAB Cc1csc(N2CCN(C[C@H](O)Cn3cccn3)C[C@H]2C)n1 106844314 JLEUVCBXBNLZOO-KGLIPLIRSA-N 321.450 1.220 0 40 DDAB CN1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1=O 44265342 REXLJKIQBJMFEF-JKSUJKDBSA-N 315.417 1.246 0 40 DDAB CCC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)nc1 27334101 KABFKMJFGKUVDU-CYBMUJFWSA-N 306.410 1.906 0 40 DDAB Cc1nnc(NC(=O)Cn2ncc(=O)c3ccccc32)s1 44872336 KHFXMKFEQQBBPO-UHFFFAOYSA-N 301.331 1.195 0 40 DDAB COC(=O)Cn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O 2128649 HDIVDYTYDWQVCL-UHFFFAOYSA-N 317.301 1.068 0 40 DDAB biogenic Cc1ccccc1NCCC(=O)N[C@H](C)CN1CCOCC1 58295380 VTGXXKSMNMTNTF-OAHLLOKOSA-N 305.422 1.634 0 40 DDAB O=c1n(CN2CCO[C@@H]3CCCC[C@@H]32)nc2n1CCCCC2 44979303 KFXLIJGKZIGNPE-UONOGXRCSA-N 306.410 1.372 0 40 DDAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCO1 27849271 ZPBISFDGWINJTL-BXUZGUMPSA-N 315.373 1.539 0 40 DDAB O=C1CNC(=O)N1CCCSc1ccc2c(c1)OCCCO2 58331156 BNOPTHWWGNLFIA-UHFFFAOYSA-N 322.386 1.882 0 40 DDAB Cc1noc(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)n1 58342688 RZIXFBVNLLEUSR-LBPRGKRZSA-N 316.361 1.587 0 40 DDAB COc1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1OC 58393221 JPCOXCWSVMBKDJ-CHWSQXEVSA-N 320.389 1.297 0 40 DDAB Cc1csc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n1 48008417 AMCKGQYNAFGTDK-UHFFFAOYSA-N 322.356 1.252 0 40 DDAB Cc1ccccc1OCC(=O)N1C(=O)c2cccc(N)c2C1=O 3339165 HNNNPNXQCMXWGI-UHFFFAOYSA-N 310.309 1.779 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1 12792446 AWCWXFSYGXQUQN-UHFFFAOYSA-N 323.418 1.173 0 40 DDAB O=C(CSc1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 3473377 BNJMHDRAESINAA-SECBINFHSA-N 303.380 1.221 0 40 DDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccn(C)n2)c1 12974281 IKSPDNMRBXEEQS-UHFFFAOYSA-N 322.390 1.279 0 40 DDAB CN(C(=O)c1ccoc1)S(=O)(=O)c1ccc2c(c1)OCCO2 48709063 AZJWDMFQSADCQD-UHFFFAOYSA-N 323.326 1.512 0 40 DDAB CS(=O)(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 80942730 LCBJTSMBFWCBGZ-LBPRGKRZSA-N 308.403 1.562 0 40 DDAB COc1ccc(SCC(=O)NCCCN2CCOCC2)cc1 20459235 XEYDBOVQOJGMBS-UHFFFAOYSA-N 324.446 1.626 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@H]1CN1CCCC1 68556976 KFSBATSDFSOOBM-AWEZNQCLSA-N 318.425 1.158 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N[C@@H]1CCN(c2ccccc2)C1=O 69072693 JJUXZBUIXZVPFW-LSDHHAIUSA-N 317.389 1.660 0 40 DDAB Cc1ccccc1-n1nc(CO)c(C(=O)NCc2cccnc2)n1 8613326 ATNDVWSLMGPPNL-UHFFFAOYSA-N 323.356 1.393 0 40 DDAB Cc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 5349143 IOVAHRBVRYGLRY-SNVBAGLBSA-N 321.354 1.018 0 40 DDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](n2cccn2)C1 69421026 OBZSZRMRANUCMJ-LBPRGKRZSA-N 311.345 1.530 0 40 DDAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1cnc2sccn2c1=O 65613284 YSVQFXDSOPSOTN-QWRGUYRKSA-N 321.402 1.834 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 65613128 KGAOHEKSVXJUBS-WDEREUQCSA-N 314.382 1.454 0 40 DDAB Cn1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c2ccccc21 8402409 XXVAEEFSBWCLJU-GFCCVEGCSA-N 316.357 1.630 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(NC2CC2)nc1 69537733 UVYAYWHBQXKEMA-CABCVRRESA-N 316.405 1.249 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nn[nH]n1 6824093 XYKBAWKSVOHURZ-RXMQYKEDSA-N 302.121 1.913 0 40 DDAB CN(C)C(=O)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 69530757 HIODVRGFFKZYCF-AWEZNQCLSA-N 322.384 1.500 0 40 DDAB CC[C@H](OC)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69655819 UTPVPRXTEDFBJY-CVEARBPZSA-N 306.406 1.289 0 40 DDAB C[C@@H](O)CNc1nc(Nc2ccc(F)cc2)c2n[nH]nc2n1 70655779 WVRSUYBBNWZNGN-SSDOTTSWSA-N 303.301 1.423 0 40 DDAB Cc1cc(C)n(C2CN(C[C@H](O)CN3CCC(C)CC3)C2)n1 71880791 GUAFYPQAJMKEIZ-QGZVFWFLSA-N 306.454 1.449 0 40 DDAB C[C@H](CNC(=O)C1(c2ccccc2)CC1)N1CCN(C)CC1 71867444 NFZDVNNBDJQARO-OAHLLOKOSA-N 301.434 1.470 0 40 DDAB Cc1cc(C(=O)Nc2ccc(-n3ccc(C(=O)O)n3)cc2)n[nH]1 89598921 MCUFOBKLJBHLLA-UHFFFAOYSA-N 311.301 1.854 0 40 DDAB Cc1n[nH]c2ncc(CN[C@@H]3CCCN(c4ncccn4)C3)cc12 89568205 JNVDKAHKJMXQSK-CQSZACIVSA-N 323.404 1.815 0 40 DDAB Cn1cnnc1CCNC(=O)c1cc(-c2cccs2)n[nH]1 75137436 KZZJKNDCQXDAJP-UHFFFAOYSA-N 302.363 1.239 0 40 DDAB CC[S@@](=O)CCNC(=O)[C@H]1CCCN1Cc1ccccc1 72283755 IEVXUBRXASKRBR-VFNWGFHPSA-N 308.447 1.536 0 40 DDAB COc1ccc(NC(=O)NCCCN2CCCCC2=O)cn1 72269990 CLFWZGPWIFRHMR-UHFFFAOYSA-N 306.366 1.614 0 40 DDAB CCc1nnc2n1C[C@@H](CNCc1nnc(C(C)(C)C)o1)CC2 72267496 NMXBLOCVHYYNSN-LLVKDONJSA-N 318.425 1.873 0 40 DDAB O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1CCCOC1 72295107 UOZJOEKOIQZXQL-SSDOTTSWSA-N 302.252 1.338 0 40 DDAB COCCCN(C)C(=O)c1cc(I)c[nH]1 72285785 SNLKWNHKHULFGK-UHFFFAOYSA-N 322.146 1.728 0 40 DDAB Cc1cc(C(=O)NCc2ccc(=O)[nH]c2)nn1-c1ccccc1 72288698 UCHTWVXTEZKECA-UHFFFAOYSA-N 308.341 1.799 0 40 DDAB Cc1c(CNc2ccc(S(=O)(=O)CCO)cc2)cnn1C 97096697 RXWCDLKKCOFPEI-UHFFFAOYSA-N 309.391 1.107 0 40 DDAB COC[C@H](O)CN(C)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 87450560 PMAHGWWACSOZLV-QGPMSJSTSA-N 303.402 1.746 0 40 DDAB OCc1cn(-c2ccc(NCc3noc(C4CC4)n3)cc2)nn1 97141302 ZZCICNXMSFEJOX-UHFFFAOYSA-N 312.333 1.632 0 40 DDAB CN(C(=O)c1ncccc1O)C1CCN(c2ccccn2)CC1 97165481 BODNDVHBLKGJNO-UHFFFAOYSA-N 312.373 1.923 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccncc1 72305569 PUUPUYSGWWLOJL-AWEZNQCLSA-N 304.394 1.624 0 40 DDAB C[C@]1(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)CCCO1 89919352 NBDXBBOMJZBRQM-CVEARBPZSA-N 310.369 1.902 0 40 DDAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)Nc1nncs1 84618678 YRANLOFTQRSQCQ-SECBINFHSA-N 320.378 1.574 0 40 DDAB Cc1n[nH]c(=O)c(CNS(=O)(=O)Cc2ccccc2)c1C 95398728 JIOHICDPJCPCIB-UHFFFAOYSA-N 307.375 1.006 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)CO[C@H]2CCC[C@H](C)C2)c1C 95396121 XUCWPQFIFMBBKH-GWCFXTLKSA-N 307.394 1.598 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CO)CC1 89942739 PBTITDZAJPTTBR-QWHCGFSZSA-N 308.426 1.885 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CC[C@@H](Nc2ccccc2)C1 95431839 UPWXSSKOEWWWSR-SQNIBIBYSA-N 320.433 1.729 0 40 DDAB CCN(C(=O)NC[C@H]1CCCO1)[C@@H](C)CS(=O)(=O)CC 75611700 BBKPCGSFCRZXPV-NWDGAFQWSA-N 306.428 1.020 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 95953991 POLBKVFIRSLKEV-GHMZBOCLSA-N 304.346 1.858 0 40 DDAB NC(=O)[C@H]1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1 74283518 HOYWPSVEPORMDF-NSHDSACASA-N 311.345 1.041 0 40 DDAB Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]1C(N)=O 79060370 UXJQHMRBUALFTF-NSHDSACASA-N 324.427 1.848 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1OCC 34781285 MRAVYVYLNSSEPX-UHFFFAOYSA-N 314.407 1.078 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)cc1N(C)C 547939551 LDQRSTOMPINPFR-NWDGAFQWSA-N 324.402 1.369 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 72595203 SRBSRGADQFFEGC-CQSZACIVSA-N 324.446 1.956 0 40 DDAB CCn1ccnc1CN1CCN(CC=C(C)C)[C@H](CCO)C1 36385741 AXLAIGJGNKHDPO-MRXNPFEDSA-N 306.454 1.738 0 40 DDAB O=C(Cn1ncn2c(cc3ccsc32)c1=O)N1CCCCC1 72335236 MAHDMIUNPOSQSK-UHFFFAOYSA-N 316.386 1.723 0 40 DDAB Cn1cc(CCCN2CCN(CC(F)(F)C(F)F)CC2)cn1 79311796 KVNGTTSWXUXPOW-UHFFFAOYSA-N 322.350 1.871 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)NCc1ccccc1OC 48303363 VFNAGFHZERPGDG-CYBMUJFWSA-N 307.394 1.655 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc4ccccc4c3)[C@@H]2C1 40166814 IWCBSXPVIDXOSQ-ZIAGYGMSSA-N 318.423 1.700 0 40 DDAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1ccccc1 47328535 BVYFLQLXEJGDKZ-UHFFFAOYSA-N 301.331 1.463 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 45973516 BVZHPJDIZMAKTG-GFCCVEGCSA-N 312.797 1.556 0 40 DDAB O=C(O)CCNS(=O)(=O)c1ccc2c3c(cccc13)CC2 226862320 NGVYTCXVXJKMDW-UHFFFAOYSA-N 305.355 1.691 0 40 DDAB Cn1nc(-c2cccnc2)cc1C(=O)N[C@@]12CCC[C@H]1NCC2 1579986249 SLNQIAAUGAVVEJ-NVXWUHKLSA-N 311.389 1.497 0 40 DDAB NS(=O)(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 191528847 CMZRGZNTPFNIGS-VIFPVBQESA-N 324.233 1.755 0 40 DDAB COCC(=O)N1C[C@H]2CCC[C@@H](N(C)Cc3cccnc3)[C@H]2C1 96182942 PUBWSGOYMKNSMP-IXDOHACOSA-N 317.433 1.787 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(c1ncccn1)CC2 96071936 OUYSVZQWEWDISF-MRXNPFEDSA-N 304.394 1.475 0 40 DDAB COCCN1CC[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 96202005 BHJUZMCBEIPZTN-MRXNPFEDSA-N 324.446 1.559 0 40 DDAB O=C(NCc1ccccc1)N1CC2(CCN(c3ncccn3)C2)C1 96070844 LVHVTKQXDSBISR-UHFFFAOYSA-N 323.400 1.899 0 40 DDAB Cn1ccnc1N1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 96436886 IMXUNPREOLKXCB-CQSZACIVSA-N 312.373 1.245 0 40 DDAB COC(=O)[C@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 96441410 LHVVUWFXJHNNRB-OAHLLOKOSA-N 319.336 1.385 0 40 DDAB Cc1cnc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)nc1 96063969 LHHIQIRLVLNPEL-QWHCGFSZSA-N 315.402 1.735 0 40 DDAB CCOC(=O)c1cnc(N2CCC(n3cccn3)CC2)nc1C 96496053 SGSKJJVEYZALOH-UHFFFAOYSA-N 315.377 2.000 0 40 DDAB O=C(NC[C@H](O)Cn1ccccc1=O)c1c(F)cccc1Cl 96124348 WUQKXUUAYPBFCQ-JTQLQIEISA-N 324.739 1.432 0 40 DDAB COc1ccccc1CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 92044980 SLCYDXZUHWZKNV-HNNXBMFYSA-N 324.446 1.695 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1)N1CCCC1 96040995 WASVOHZWFRSDOT-BPUTZDHNSA-N 308.422 1.267 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(CC3CCCC3)C[C@H]2O1)N1CCOCC1 96042943 NSQIHPFLRBMLPY-YESZJQIVSA-N 322.449 1.515 0 40 DDAB CN1CCC[C@@H](NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 96426438 MCQMLACKILBOKH-OAHLLOKOSA-N 316.380 1.764 0 40 DDAB Cc1ccccc1C[C@@H](C)NC[C@H]1CCCN1S(C)(=O)=O 90799427 SJNCSVVMSGUDLQ-GDBMZVCRSA-N 310.463 1.940 0 40 DDAB Cc1c([C@H](C)NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cnn1C 248235863 DPTYGCMZUBIJJP-NCTUQNNGSA-N 303.362 1.429 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cnc(-c3cc(C)n[nH]3)cn2)C1 257289540 PZBUAZSKYNTUCG-GFCCVEGCSA-N 315.377 1.528 0 40 DDAB COc1cc(CCC(=O)N2CCCC[C@H]3CNCC[C@H]32)on1 257254631 KEBDJUURKBLVSS-GXTWGEPZSA-N 307.394 1.606 0 40 DDAB Cc1cc(CNC(=O)N[C@H]2CCN(CC3CCCC3)C2)n(C)n1 252491657 LPQJNLQIRTVFJP-HNNXBMFYSA-N 319.453 1.792 0 40 DDAB Cc1cncc([C@H]2CCCN2C(=O)CCn2ccccc2=O)n1 257217171 CXVIGYFBLRREJQ-OAHLLOKOSA-N 312.373 1.701 0 40 DDAB O=C(c1cccnc1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1 257340927 ZIDMCILFFQOLEB-OAHLLOKOSA-N 310.357 1.345 0 40 DDAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc(-n2cccc2)cc1 85468382 LKCHTBOQDIGEEF-IJEWVQPXSA-N 300.358 1.339 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCOCC2)nc1 44913056 FLZZQYPSIUYBMD-CYBMUJFWSA-N 315.373 1.872 0 40 DDAB CC(=O)NCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58281780 RZIZHFYCGYVUJX-ZDUSSCGKSA-N 323.824 1.809 0 40 DDAB Cn1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)ccc1=O 58209897 NYMCIYSBBGBQCA-LBPRGKRZSA-N 313.361 1.030 0 40 DDAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc[nH]n2)CC1 56677276 SLKUZMWZFLPMAL-UHFFFAOYSA-N 317.324 1.539 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H](c2ccccc2)O1 65459134 XXPVBKNZDCASHZ-UMVBOHGHSA-N 300.362 1.828 0 40 DDAB COCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 65550854 MDTIXWMBAILZKP-VXGBXAGGSA-N 308.382 1.463 0 40 DDAB Cn1nccc1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1 78879884 LTQNUGYZIPUEIB-GFCCVEGCSA-N 310.379 1.185 0 40 DDAB Cc1csc(N2CCN(C(=O)NCc3nccs3)CC2)n1 80044599 RUVPCJPZNYSCKJ-UHFFFAOYSA-N 323.447 1.940 0 40 DDAB CCc1cnc(OC2CCN(C[C@@H]3CC(=O)N(C)C3)CC2)nc1 1776009085 HQWQDSCKNPGZGT-CQSZACIVSA-N 318.421 1.361 0 40 DDAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCCC4)nc(C)n32)o1 12115485 JJZHTDSTGFZNDB-UHFFFAOYSA-N 314.345 1.481 0 40 DDAB COCC(=O)N1CCCC[C@H]1c1ncc(C(=O)N(C)C)c(C)n1 19754223 VMCGCSJYXYSQMK-ZDUSSCGKSA-N 320.393 1.187 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(Cc3cnn(C)c3)CCO2)cc1 643913741 FHTTURNFUMJZHE-SFHVURJKSA-N 315.417 1.535 0 40 DDAB Cc1cc(C(=O)NCc2nc(C3CCSCC3)no2)no1 575608126 QTJWJJLXXQFMKO-UHFFFAOYSA-N 308.363 1.907 0 40 DDAB CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 4515980 JKADRNPAFRHSPA-SUMWQHHRSA-N 321.421 1.746 0 40 DDAB O=C(O)CCN(C(=O)c1cncc(Br)c1)C1CC1 37582598 WLOQHAYNLZQYLZ-UHFFFAOYSA-N 313.151 1.923 0 40 DDAB CCCCn1c(C)cn2c3c(=O)n(CC)c(=O)n(C)c3nc12 4250983 LUTMVEUVBXBTNN-UHFFFAOYSA-N 303.366 1.278 0 40 DDAB Cc1cnc2c(c1Nc1ccc(F)cc1)c(=O)n(C)c(=O)n2C 12226794 HVOVNBAJTIEDQJ-UHFFFAOYSA-N 314.320 1.823 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@H]3C[C@H]2CO3)C1 368341062 DPJXMLXGPXVPAE-RWMBFGLXSA-N 310.394 1.633 0 40 DDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@@H](C(=O)OCC)C1c1ccco1 100099403 DIPDCJYOIITUED-CHWSQXEVSA-N 322.313 1.264 0 40 DDAB biogenic C[C@@H]1Oc2c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cccc2[C@H]1C 40489190 HWGCIBBOZUSIQC-XMZIXOGTSA-N 323.414 1.878 0 40 DDAB C[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)C[C@@H](C)O1 40480006 GLACKSQFTAVQIJ-OCAPTIKFSA-N 301.272 1.757 0 40 DDAB Cc1cccc([C@H](CC(=O)Nc2ncccc2O)NC(N)=O)c1 40513982 KVQICZRVSGSZSN-LBPRGKRZSA-N 314.345 1.834 0 40 DDAB O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)C1CC1 4260420 BORPEQSTFYWKGL-ZJIFWQFVSA-N 303.358 1.264 0 40 DDAB biogenic,in-vitro CC[C@H](c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1 4355878 ZXUVVEITFSGOAJ-CYBMUJFWSA-N 308.430 1.368 0 40 DDAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NCC3CCCCC3)CO[C@H]12 6131190 JNQKVEJEULZWKY-GBJTYRQASA-N 312.410 1.437 0 40 DDAB biogenic,in-vitro O=C(Nc1cccnc1)[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]1O2 107264719 ANOQUMBJSQLBBS-BFHYXJOUSA-N 311.345 1.104 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)o1 32655748 OUQPGAIIIBKFEH-UHFFFAOYSA-N 316.285 1.718 0 40 DDAB C[C@@H](CNC(=O)c1ccc(Cn2ccccc2=O)o1)N(C)C 46272248 IEKGXDQOWMJCIF-LBPRGKRZSA-N 303.362 1.170 0 40 DDAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1-n1cnnn1 16100881 FGRZFIVZMFJXTB-UHFFFAOYSA-N 315.358 1.772 0 40 DDAB O=C(COc1cccc(F)c1)N1CCN(c2ncccn2)CC1 7885398 VSAHXOXURLXHBQ-UHFFFAOYSA-N 316.336 1.343 0 40 DDAB COc1ccc(NC(=O)C[C@H]2Sc3ncnn3C2=O)cc1 579142 KSYONHWIFPZGSJ-SNVBAGLBSA-N 304.331 1.430 0 40 DDAB CN(C)c1ccc(CCCNC(=O)CCn2cncn2)cc1 29978480 CHVSWEPROGZNSW-UHFFFAOYSA-N 301.394 1.483 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)C1 53894839 WOGBJKSEPLKKMB-LLVKDONJSA-N 301.371 1.758 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)o1 23305712 JDUHDDUPJBFMAY-QLJPJBMISA-N 319.361 1.486 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCC(N2CCNC2=O)CC1 54594546 PSKWMRLILDCTKH-UHFFFAOYSA-N 313.361 1.193 0 40 DDAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C=O)CC3)c2c1 12388899 TZPJWBCWGBDTKP-OAHLLOKOSA-N 317.345 1.076 0 40 DDAB O=C(Nc1nncs1)N[C@@H]1CCN(Cc2ccccc2)C1 43130875 LTPVYHWJKOKPKY-GFCCVEGCSA-N 303.391 1.934 0 40 DDAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1cccnc1 27824693 GPLIDAAECDFUOE-UHFFFAOYSA-N 319.386 1.827 0 40 DDAB Cc1nc2ccccc2nc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 106844374 NTKQGNOMCSQPSI-KBPBESRZSA-N 314.433 1.825 0 40 DDAB Fc1ccc(NC(=S)NCCCN2CCOCC2)c(F)c1 20458992 HCIYCUWUVBBVGW-UHFFFAOYSA-N 315.389 1.974 0 40 DDAB COc1cc([C@H]2CC(=O)Nc3n[nH]cc32)c(OC)c2c1OCO2 35324639 FIEFRHNIPGKXOI-SSDOTTSWSA-N 317.301 1.630 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C)nc1 44149445 OPERBBSMYILEDY-UHFFFAOYSA-N 321.358 1.298 0 40 DDAB CCCCNC(=O)Cn1c(=O)n(CCC)c(=O)c2sccc21 57478794 NHHDPEIFHNWIOI-UHFFFAOYSA-N 323.418 1.551 0 40 DDAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)nn1 61977834 UGUTXYGIZSCPBW-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB COc1cccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)c1 44648949 OWRPPEPEKUJIGA-UHFFFAOYSA-N 305.378 1.457 0 40 DDAB Cc1cccc(N2CCN(C(=O)CN3CCC(O)CC3)CC2)c1 10053373 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O=C(NCCCO)c1cnc2c(cnn2Cc2ccccc2)c1 97176189 HYLBTSZUXPPKDM-UHFFFAOYSA-N 310.357 1.592 0 40 DDAB CCN(C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1)C(C)C 97141739 UAWGHNOMJWTPBI-UHFFFAOYSA-N 320.441 1.515 0 40 DDAB Cn1cc(C(=O)O[C@@H](C(N)=O)C2CCOCC2)c2ccccc21 72313495 VLYRIDUGGXRCTP-OAHLLOKOSA-N 316.357 1.616 0 40 DDAB C[C@H](CCc1ccco1)Nc1ncnc2c1cnn2CCO 97200235 GGWCIAPZMJTUFV-LLVKDONJSA-N 301.350 1.845 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1 97230045 PZCXVXMJGXLDGU-DFBGVHRSSA-N 302.374 1.878 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)CCCS(N)(=O)=O)C12CCCCC2 76040610 YYCIGCLTILESMT-ZIAGYGMSSA-N 318.483 1.725 0 40 DDAB O=C(NC[C@@H]1COCCO1)N1CCc2[nH]c3ccccc3c2C1 84593422 TWBVIVFBDACQLF-GFCCVEGCSA-N 315.373 1.651 0 40 DDAB NC(=O)c1cncc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 95408523 MKXSXVZPAUQNPT-NSHDSACASA-N 322.372 1.836 0 40 DDAB CC1(C)CN(CC(F)(F)F)CCN1C(=O)Cc1ccn[nH]1 95986194 FUARCJSXVUNUDD-UHFFFAOYSA-N 304.316 1.437 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1c(C)nn3cccnc13)C2 65463369 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CN(CCN)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391757 ANTBFOSLLIAABV-MRXNPFEDSA-N 305.422 1.926 0 40 DDAB CCOC(=O)[C@@H](C)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 195529841 RHBZCJUYFHCDHW-SOUVJXGZSA-N 312.454 1.759 0 40 DDAB CC[C@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)[C@@H]1CCCO1 569336920 SWCWIGFCFCQRPL-JQWIXIFHSA-N 314.363 1.016 0 40 DDAB Cn1cccc1-c1noc(CNC(=O)Cc2ccsc2)n1 225767833 QYFHYXCZQFKXFD-UHFFFAOYSA-N 302.359 1.996 0 40 DDAB C[C@@H]1CN(CCCc2ccc3c(c2)CCO3)CCN1CCO 193318666 ABLZVEHJAZTQOL-OAHLLOKOSA-N 304.434 1.553 0 40 DDAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccn(C)c1=O 225596947 MKHAKYGRSXJFRT-GFCCVEGCSA-N 312.369 1.681 0 40 DDAB CC(C)Cn1ccnc1CNc1cc(N2CCOCC2)ncn1 225479659 GGYQBZLLLHUJBH-UHFFFAOYSA-N 316.409 1.778 0 40 DDAB O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96041702 JBXDCOFWWGBFDV-RRFJBIMHSA-N 324.402 1.184 0 40 DDAB Cc1nnc(C[C@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3O2)o1 96215877 AESLCFQQTLKHAU-MVWJERBFSA-N 305.313 1.144 0 40 DDAB CN1CC[C@@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)C1 96201915 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40 DDAB Cc1cnc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)cn1 257303594 SHWSWSNSEOWFEA-HNNXBMFYSA-N 315.377 1.051 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccccc2C(F)(F)F)CCO1 257336814 YQDKFKVXCJRKJS-ZDUSSCGKSA-N 316.279 1.422 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)Cn2cccn2)nc(C)n1 257210435 BUOSSUTWBMAEBY-CYBMUJFWSA-N 300.366 1.387 0 40 DDAB CC(=O)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 257206906 BFKLFRPUJZWLBD-GFCCVEGCSA-N 318.377 1.938 0 40 DDAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1c1ncccn1 253591308 LUQUUKKOGQLHOQ-CYBMUJFWSA-N 324.388 1.195 0 40 DDAB CCC(CC)C(=O)N1CCN2[C@H](CN(C(C)=O)CC2(C)C)C1 253396518 DWXPJHQTYKHGLG-HNNXBMFYSA-N 309.454 1.576 0 40 DDAB biogenic,in-vitro CC(C)c1cc(C(=O)N2CCN(C)C[C@@H](C(N)=O)C2)cs1 257249211 JHHMPAHYFZJHKV-GFCCVEGCSA-N 309.435 1.361 0 40 DDAB CCc1cc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)on1 257217006 CXCCERGIRXIYKD-INIZCTEOSA-N 316.361 1.003 0 40 DDAB CCc1nccn1CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 257302716 SDZHBRHMCKCZTE-ZDUSSCGKSA-N 301.394 1.965 0 40 DDAB CCCS(=O)(=O)N1CCN(C(C)=O)C[C@H]1c1ccccc1 257328430 XFPLVCZZDAOLAZ-HNNXBMFYSA-N 310.419 1.632 0 40 DDAB OCCOc1cccc(CN2CCO[C@@H](c3cnccn3)C2)c1 257240571 HUDNMLKXYGEIQI-QGZVFWFLSA-N 315.373 1.421 0 40 DDAB COc1ccc(CC(=O)Nc2cnc(-n3cccn3)nc2)cc1 85470352 OYWVJGJTYARWJO-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CCc1ccc(NC(=S)N[C@@H]2C=CS(=O)(=O)C2)s1 575422013 KJCVOSFRVWPXJO-MRVPVSSYSA-N 302.446 1.908 0 40 DDAB COc1ccccc1CCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C 48071647 WXOQMVJDMQLXIX-JSGCOSHPSA-N 304.390 1.516 0 40 DDAB Cc1nnc(N2CCN(c3ncnc4c3CCC4)CC2)s1 1548523168 OWARGUZUFDVLRZ-UHFFFAOYSA-N 302.407 1.452 0 40 DDAB COc1ccc2c(c1)C[C@@H](N[C@H]1CC(=O)N(C3CC3)C1)CC2 90182140 VQSSKJSHNZQOGM-GJZGRUSLSA-N 300.402 1.905 0 40 DDAB O=C1CCN(C(=O)C(F)(F)F)C[C@@H]1OCc1ccccc1 96102753 FQOKIPQUQDKMKS-LBPRGKRZSA-N 301.264 1.936 0 40 DDAB Cc1cc([C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)c(C)s1 97032154 WPDWCEPFUYFQQO-SNVBAGLBSA-N 318.464 1.824 0 40 DDAB COCC[C@@](C)(O)CNC(=O)c1cncc(Br)c1 174894102 UWJBRRKWEFKNAJ-GFCCVEGCSA-N 317.183 1.361 0 40 DDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5526988 IKGPJTBVFBEJHC-VRKREXBASA-N 315.369 1.877 0 40 DDAB CCOc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)cc1OC 19533711 SQNBRMTXJLAEGL-FVQBIDKESA-N 320.433 1.733 0 40 DDAB COc1cccc(CN2CCN(C(=O)c3cc[nH]n3)[C@@H](C)C2)c1 19575616 UQDFDMGDLVTVOC-ZDUSSCGKSA-N 314.389 1.765 0 40 DDAB COc1ccc(C[C@@](C)(O)CNC(=O)NC2CCOCC2)cc1 225553156 HFVAUSHKJUQDHD-QGZVFWFLSA-N 322.405 1.467 0 40 DDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 16899773 JJZGSVCJIIMRSC-GFCCVEGCSA-N 323.370 1.623 0 40 DDAB Cc1nc(C)c(C(=O)Nc2cnn(CC(=O)N(C)C)c2)s1 19746071 OHTMMQOFADQVGE-UHFFFAOYSA-N 307.379 1.297 0 40 DDAB Cc1nc(CN2CCN(c3ccc(N(C)C)nn3)CC2)cs1 1889083337 DENVOGFIQRWPCA-UHFFFAOYSA-N 318.450 1.630 0 40 DDAB CC(=O)N1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 27565009 IIMISKLWDVEZTR-KRWDZBQOSA-N 315.417 1.561 0 40 DDAB O=C(N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21)C1(F)CC1 1565550184 SUJQVIUGUWULIB-RDBSUJKOSA-N 306.337 1.721 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Cl 11694207 VNDFEGKRMWRZMQ-MRVPVSSYSA-N 317.172 1.719 0 40 DDAB CC(C)CC(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055730102 AMOMRBKJIIWUSQ-ZDUSSCGKSA-N 321.421 1.526 0 40 DDAB Cc1cc(N2CC[C@](F)(C(=O)Nc3cccnc3)C2)ncn1 2086861176 PXPJYFYJBLYSSD-OAHLLOKOSA-N 301.325 1.737 0 40 DDAB Cc1cn2nc(C(=O)NCc3cc(F)ccc3F)cc2c(=O)[nH]1 206635537 AUQFOKXJXAOFFZ-UHFFFAOYSA-N 318.283 1.539 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(CC2CCCC2)nn1 2298034104 UVNMJWBINRRVKA-UHFFFAOYSA-N 317.393 1.833 0 40 DDAB COC(=O)c1ccc(NC(=O)COc2c(C)occc2=O)cc1 40266874 ZBVBHKZEEKFJBG-UHFFFAOYSA-N 317.297 1.752 0 40 DDAB C[C@@H]1COCCN1C(=O)CCc1nc(-c2ccccn2)no1 30713899 ZIGXSNDYVLLJDZ-LLVKDONJSA-N 302.334 1.312 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)[C@@H](C)CO1 45449412 KNRNSZUJFURTEZ-RYUDHWBXSA-N 316.361 1.700 0 40 DDAB Cc1nc(C)c(CC(=O)NCc2ccc(F)c(C)c2)c(=O)[nH]1 31228111 NSDJNFBNQSOCNH-UHFFFAOYSA-N 303.337 1.693 0 40 DDAB Nc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1 1726994 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CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 78551674 GMPIQPZHNCVYBB-UHFFFAOYSA-N 311.407 1.905 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2ccc(N)nn2)C1 72387385 RUBLHCZBVZSRSV-LLVKDONJSA-N 317.418 1.919 0 40 DDAB O=C(C1CCOCC1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72393878 VWKVCWKHQORTJA-GFCCVEGCSA-N 315.377 1.486 0 40 DDAB COc1c(N)ncnc1N1CCC(c2nncn2C2CC2)CC1 568244685 VESXOOXPCRYALG-UHFFFAOYSA-N 315.381 1.378 0 40 DDAB C[C@H](N)C(=O)N(C[C@@H]1CCCN1Cc1ccccc1)C1CC1 79404551 QCEPSFNEGREPPM-YOEHRIQHSA-N 301.434 1.989 0 40 DDAB COCC(=O)N1CC[C@H](Cc2cccc(Br)n2)C1 72344470 QWPQOXOZIAOBEX-SNVBAGLBSA-N 313.195 1.882 0 40 DDAB O=C(NC1CC1)c1ccc(N2CCC(n3cncn3)CC2)nc1 78987955 QZFOMWKNSBPGGX-UHFFFAOYSA-N 312.377 1.407 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 72360547 CCXUHGUAUQKHQZ-AWEZNQCLSA-N 316.405 1.514 0 40 DDAB COCCN1C[C@H](C(=O)OCc2ccnc(Cl)c2)CC1=O 78445853 QVMJHNLRXJEKFJ-LLVKDONJSA-N 312.753 1.273 0 40 DDAB CCOC(=O)[C@@H]1C(S)=N[C@]2(N3CCOCC3)CCCC[C@@H]12 225748195 ZZFRVHIHHRPALT-HUBLWGQQSA-N 312.435 1.726 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 40465618 RPQXXDMRWCWXNA-MLGOLLRUSA-N 304.346 1.147 0 40 DDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccsc3)C2)nn1 225446234 ATCLTOCVDDOYER-GFCCVEGCSA-N 318.402 1.898 0 40 DDAB Cn1[nH]c([C@H]2CCCN2C(=O)c2ocnc2C2CC2)nc1=N 573618370 MBMIHBAUSBUZIV-SECBINFHSA-N 302.338 1.070 0 40 DDAB Cc1cc(CN2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)no1 96043421 KYLVMVXUYLVAOU-RBSFLKMASA-N 307.394 1.298 0 40 DDAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)CC1CC1)C2 96227057 JBTOTKXEEHVFKT-CRAIPNDOSA-N 313.401 1.737 0 40 DDAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccoc3)C2)O1 96063302 DNUBQJUMSMLYRB-HOCLYGCPSA-N 308.378 1.231 0 40 DDAB CN1CCc2ccc(C(=O)NCCCOC3CCOCC3)cc21 96502626 MXWCFCYPMZEXCE-UHFFFAOYSA-N 318.417 1.994 0 40 DDAB CCC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2CC(C)C 96251564 FOHYOXMNZXDBEJ-UONOGXRCSA-N 316.467 1.142 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(-n3cncn3)cc2)C1 96426079 HFCOKMFPRNZCFJ-GFCCVEGCSA-N 321.406 1.656 0 40 DDAB CN(C)CCN1CCN(Cc2nccs2)Cc2cccnc21 96198830 WWVWZQHKCOPZRL-UHFFFAOYSA-N 317.462 1.922 0 40 DDAB Cc1cc(C)c(C(=O)NCC[C@H](O)c2ccccc2)c(=O)[nH]1 96450317 KPUSBIYQAWYHTO-AWEZNQCLSA-N 300.358 1.845 0 40 DDAB C[C@@](NC(=O)C[C@H]1CCCO1)(C(N)=O)c1cccc(Cl)c1 96454814 CLOURIPATSSGDL-DOMZBBRYSA-N 310.781 1.726 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3nccs3)[C@@H]2C1 96056700 DLUANVUDTFJVBQ-BFHYXJOUSA-N 321.446 1.649 0 40 DDAB Cn1cccc1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 96110646 GCSJTYIFZMNOGP-HUUCEWRRSA-N 310.401 1.624 0 40 DDAB CCN1CCN(C)C2(CCN(C(=O)c3ccsc3)CC2)C1=O 96077126 YFOGCXXGGGTRQC-UHFFFAOYSA-N 321.446 1.517 0 40 DDAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccco2)CC3)cn1 96199756 DLSOXICYNAGFLP-OAHLLOKOSA-N 314.389 1.651 0 40 DDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)C(C)(C)C 96473493 WROYXECPICXONL-WDEREUQCSA-N 309.414 1.993 0 40 DDAB CCN(CC)c1ncc2c(c1C(=O)O)CCN([C@@H]1CCOC1)C2 96189232 KHGHGPWBUIIVEI-CYBMUJFWSA-N 319.405 1.773 0 40 DDAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)C1CCOCC1)C2 96056878 GBDNKCDHBKDPLT-DOTOQJQBSA-N 311.422 1.847 0 40 DDAB COCC(=O)N1CCC[C@H]1c1nnn2cc(C3CC3)ccc12 96267851 HHOLSDUWXIKUKO-ZDUSSCGKSA-N 300.362 1.917 0 40 DDAB NC(=O)CNC(=O)CCc1cc(F)ccc1Br 97371864 RDDLCXZJKQJXIX-UHFFFAOYSA-N 303.131 1.122 0 40 DDAB CN(C)C(=O)CN1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 96215316 HROQYYJYLPJDIN-GOSISDBHSA-N 316.449 1.458 0 40 DDAB Cc1nccn1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257243074 IFJQCBPMUIIRCX-AWEZNQCLSA-N 315.377 1.540 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1 257309349 UAPLGVVSRKSKDA-BZUAXINKSA-N 324.446 1.261 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)C2(c3ccccc3)CC2)CCO1 257245617 IQIMKKMFGQGIOW-MRXNPFEDSA-N 302.374 1.082 0 40 DDAB O=C(NCCc1nccs1)[C@H]1COCCN1CC(F)(F)F 252507558 WOMXGEMTNZYQMR-SECBINFHSA-N 323.340 1.065 0 40 DDAB Cc1cncc([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257323100 WITXJYREESSPDW-ZDUSSCGKSA-N 300.366 1.475 0 40 DDAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 604382169 IMFQXLUQFOHBIC-KLHDSHLOSA-N 307.438 1.498 0 40 DDAB biogenic,in-vitro CO[C@H]1CN(C(=O)CCOc2ccccc2)C[C@@]12CCCO2 257277802 NZLRJVABVBECFE-RDJZCZTQSA-N 305.374 1.862 0 40 DDAB CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F 257224494 FCAOGRXTJCWPCL-CJNGLKHVSA-N 322.380 1.888 0 40 DDAB CNc1nc(C)cc(C(=O)N[C@@H](COC)c2ccc(C)o2)n1 252509951 YZAMCOXCPSFBEE-LBPRGKRZSA-N 304.350 1.846 0 40 DDAB CCN(Cc1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O 575422343 UYLBGEGUGJOUOD-CHWSQXEVSA-N 303.811 1.320 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575403701 MSXDCKZHLOXRLO-STQMWFEESA-N 320.414 1.583 0 40 DDAB COc1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 44457196 MQDPXYKHWJBRQI-CYBMUJFWSA-N 311.403 1.179 0 40 DDAB COc1ccc([C@H](C)NC(=O)NCCCn2cncn2)cc1F 48173976 HYXXSYKCCBGQTD-NSHDSACASA-N 321.356 1.876 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 66041898 DIICLJYCRNBHER-UHFFFAOYSA-N 314.288 1.585 0 40 DDAB C[C@H](C1CC1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 74884369 WUWSERNUUMGYBM-GFCCVEGCSA-N 302.374 1.972 0 40 DDAB CCN1N=C(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)CC1=O 76017705 ZHMAPBFGMDEUHK-IUODEOHRSA-N 315.373 1.583 0 40 DDAB Cn1cncc1CN1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549168680 XQALEULFONVYLK-UHFFFAOYSA-N 312.373 1.339 0 40 DDAB CCOC(=O)Cn1nc(CC)n2c(cc3ccsc32)c1=O 12114252 LBDFHAFKFXLKHU-UHFFFAOYSA-N 305.359 1.836 0 40 DDAB CC(C)CNC(=O)NC(=O)COC(=O)CCc1ccccc1 5367784 BNEZHWKFEWWSFD-UHFFFAOYSA-N 306.362 1.644 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 5978744 NYJLTRBAANYBAB-NSHDSACASA-N 314.407 1.197 0 40 DDAB Cc1cnc(C(=O)N2C[C@H]3c4nc(C)ncc4CC[C@H]3C2)cn1 12337059 QWVOGTOPQFVFPD-UONOGXRCSA-N 309.373 1.685 0 40 DDAB COCc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 14129303 HKZHGUDPDSNLTK-UHFFFAOYSA-N 306.406 1.674 0 40 DDAB CCCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19501172 POPTYCVLKYNAHC-UHFFFAOYSA-N 302.422 1.971 0 40 DDAB CNc1cc(CN(C)C(=O)CC(C)C)nc([C@@H]2CCCNC2)n1 19709579 AXJXCHAMIHFRDI-CYBMUJFWSA-N 319.453 1.990 0 40 DDAB Cn1c(=S)n(CN2CCC(C(N)=O)CC2)c2ccccc21 19851929 MQVPWEWDTUUXBU-UHFFFAOYSA-N 304.419 1.864 0 40 DDAB CCCCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4504482 BEMAIOZKNFFIQG-CYBMUJFWSA-N 311.403 1.782 0 40 DDAB CC(C)(C)C(=O)N1CCC(c2noc([C@@H]3CCC(=O)N3)n2)CC1 12219817 LHJQOCMWALFVJI-NSHDSACASA-N 320.393 1.773 0 40 DDAB COCCN1CCC(CNC(=O)c2ccc(OC)cc2)CC1 23014081 RRSQSFWPBUEYSY-UHFFFAOYSA-N 306.406 1.783 0 40 DDAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)[C@@H]1CCOC1 575612316 LIYUGASPOQVCEJ-KDOFPFPSSA-N 319.401 1.454 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3462586 LOUZLJPCNOZGDX-HNNXBMFYSA-N 323.780 1.632 0 40 DDAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)c1 1848356849 GPXAQYAZNVYGER-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB COc1ccc(CCN(C)C(=O)c2ccc[nH]c2=O)cc1OC 30781110 OSRPNESGJMHXCR-UHFFFAOYSA-N 316.357 1.707 0 40 DDAB O=C(c1c[nH]c(=O)[nH]1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 238868403 MHQVEBQHKFNDBA-LBPRGKRZSA-N 324.340 1.545 0 40 DDAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](Oc2ccccn2)C1 238885501 PYGOBNDMYRTMGL-SNVBAGLBSA-N 324.324 1.817 0 40 DDAB C[C@H](O)CN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4280010 GUBIJNTUYZRNSJ-GZMMTYOYSA-N 300.742 1.092 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1cc(C)ccc1C)OCC 4583811 MTSJXFFHLFPQKU-UHFFFAOYSA-N 308.378 1.757 0 40 DDAB O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1ccccc1F 10186438 NFDJQZZWDFGLMH-AWEZNQCLSA-N 317.320 1.792 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713873 UEPMIJUUDKOLPX-ZDUSSCGKSA-N 318.421 1.598 0 40 DDAB Cc1nnsc1C(=O)N1CCc2nc3ncccc3cc2C1 1890109137 IPRNDOPMUYUPDK-UHFFFAOYSA-N 311.370 1.988 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1C[C@H](O)[C@H](CO)C1 107286217 AXEQWABOWAWPIU-SRVKXCTJSA-N 321.402 1.104 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1ccc(Cl)s1)OC 575612967 OZEYVKASGQXOCW-JTQLQIEISA-N 313.828 1.731 0 40 DDAB C[C@H](C(=O)NCCc1cccs1)n1nc2c(cc1=O)CCC2 575620524 RVMWBWIRUPRRJS-LLVKDONJSA-N 317.414 1.713 0 40 DDAB c1cnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)nc1 2298051620 NLVVUGZNHVIIPL-UHFFFAOYSA-N 307.361 1.384 0 40 DDAB C[C@H]1CN([C@@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)C[C@@H](C)O1 40087312 JCHONXYSGWIYGZ-SDDRHHMPSA-N 306.410 1.515 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C(N)=O)CC2)c1C 36316613 QNIGRJIIWZQQGV-INIZCTEOSA-N 320.433 1.549 0 40 DDAB CN(CCc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 272674 YTCDIDHTIJERMC-MRXNPFEDSA-N 309.369 1.888 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)no1 67940016 RRXBFSIOGBBRKA-NWDGAFQWSA-N 303.366 1.796 0 40 DDAB O=C(CN1C(=O)CNC1=O)Nc1ccccc1OC1CCCC1 58938947 UMLWFTFVDKKIMO-UHFFFAOYSA-N 317.345 1.498 0 40 DDAB C[C@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)N1CCCC1 68064744 JVKOBTXAAJVPCU-CYBMUJFWSA-N 317.389 1.857 0 40 DDAB CNC(=O)CCS(=O)(=O)Cc1nc(-c2ccccc2)oc1C 40528668 RUYLCRMIYIXRMT-UHFFFAOYSA-N 322.386 1.701 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 3906540 OQFZTIKWMRRYSB-VOAKCMCISA-N 317.297 1.066 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 210382 SWRSHOXZZNWYJR-UHFFFAOYSA-N 316.810 1.950 0 40 DDAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCC(=O)O 6960956 STFGBNCOAMGFKW-UXBLZVDNSA-N 320.301 1.071 0 40 DDAB O=C(NCc1ccco1)c1cc(-n2cnnn2)ccc1Cl 20734087 SEDLFBJBDZXGJG-UHFFFAOYSA-N 303.709 1.839 0 40 DDAB CCCNC(=O)CNC(=O)C[C@@H]1Sc2ccccc2NC1=O 8032395 YRPJHHSEWDCWHN-LBPRGKRZSA-N 321.402 1.132 0 40 DDAB CC1=NN(C)C(=O)[C@H]1C(=O)NCCCOCCc1ccccc1 101901972 UPHMEVUNFZSKSV-OAHLLOKOSA-N 317.389 1.216 0 40 DDAB O=C1CCCN1CC(=O)n1cccc/c1=N\C1CCCCC1 102199126 RFPKEDMLQRAENZ-OBGWFSINSA-N 301.390 1.984 0 40 DDAB Cc1nc(C(=O)N2CCC[C@@]3(CCN(C)C3=O)CC2)cs1 108530856 MNAZEDXPSPRMPN-OAHLLOKOSA-N 307.419 1.926 0 40 DDAB COC[C@@H](C)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 10683138 KVZUXCDNRMEQBF-SECBINFHSA-N 312.753 1.217 0 40 DDAB CCOC(=O)N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 458552 ADDQKYRXQCUTLP-UHFFFAOYSA-N 303.573 1.657 0 40 DDAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCOCC1 426843 VXTKTJZUAMCAKX-UHFFFAOYSA-N 315.354 1.382 0 40 DDAB Cn1cc(C(=O)Nc2cccc(Br)c2)c(=O)[nH]c1=O 32912961 RCROHOQHYOHBNU-UHFFFAOYSA-N 324.134 1.088 0 40 DDAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21870297 SIQDQSIENHMYIO-LLVKDONJSA-N 304.346 1.337 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 102946024 IBBDAOLKJUREPI-RIBQPWQFSA-N 302.355 1.686 0 40 DDAB Cc1cc(C)cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 2621448 VHVKSQFOQDTMNB-UHFFFAOYSA-N 323.352 1.945 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(-c2ccco2)[nH]c1=O 75124948 BTXNJBIAHGNBAH-GFCCVEGCSA-N 315.329 1.033 0 40 DDAB C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)C(N)=O 53395979 VVHCFDQMEFHJSU-CYBMUJFWSA-N 312.369 1.783 0 40 DDAB CCOC(=O)CCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 29966358 AWEXKMJRVGTHLA-GFCCVEGCSA-N 322.336 1.711 0 40 DDAB CCN1CCO[C@H](CNCc2cccc3c2OCCCO3)C1 69967271 FHHLZSMITZBVAP-OAHLLOKOSA-N 306.406 1.658 0 40 DDAB CCN(CC(=O)NC(C)C)CC(=O)N1c2ccccc2C[C@H]1C 7682221 USMVTTUWBFJUFS-CQSZACIVSA-N 317.433 1.811 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCNCC2)c(Br)c1 37463892 BNXYWCMICQSPJS-UHFFFAOYSA-N 319.224 1.351 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cn[nH]c1 43099824 WQWQYDMNTCWXCF-GFCCVEGCSA-N 321.406 1.666 0 40 DDAB CCOC(=O)N1CCN(Cc2csc(NC(C)=O)n2)CC1 23698680 WSLNMXOBUYPZJA-UHFFFAOYSA-N 312.395 1.376 0 40 DDAB O=C(NCCC1=CCOCC1)c1cnn(-c2ccc(F)cc2)n1 89793911 POLHTJGVMMMGSW-UHFFFAOYSA-N 316.336 1.873 0 40 DDAB C[C@@H](CCc1ccco1)NC(=O)COc1cccc(C(N)=O)c1 55209321 WFNBLIAFECSCSR-LBPRGKRZSA-N 316.357 1.895 0 40 DDAB COc1cccc(N2CCN(CCC(=O)NC3CC3)CC2)c1 26921102 CJZKTEBZQMKVIH-UHFFFAOYSA-N 303.406 1.486 0 40 DDAB CC(=O)N[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C 44888958 RVTKKKMIISEESS-IRXDYDNUSA-N 317.433 1.538 0 40 DDAB CC[C@H]1CN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CCO1 44865638 IAEFQKVMHDVOTC-AWEZNQCLSA-N 318.352 1.966 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(Cl)c(Cl)n1C 44943412 LNIIBNIZPFHNLW-SECBINFHSA-N 320.220 1.782 0 40 DDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCN1CCOCC1 44949362 OYXGYISBJYLOCA-UHFFFAOYSA-N 320.437 1.578 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314898 YXXQWSCKJJGTMP-SNVBAGLBSA-N 300.380 1.131 0 40 DDAB O=C(Nc1nnc(C(F)(F)F)s1)NC1CCC(O)CC1 58406758 BOINXOWMVALCDU-UHFFFAOYSA-N 310.301 1.982 0 40 DDAB CCCc1noc(CN2CCC[C@H](C(=O)NCC3CC3)C2)n1 47980900 KMFVNACRRFLQAS-ZDUSSCGKSA-N 306.410 1.760 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCS(=O)(=O)C1 40541259 MXXFRYIOBZSOMR-SECBINFHSA-N 317.794 1.400 0 40 DDAB O=C(OCC(=O)N1CCCCC1)[C@@H]1COc2ccccc2O1 3315402 MCYROZRSWXTDHY-AWEZNQCLSA-N 305.330 1.382 0 40 DDAB COCCn1cc(C(=O)c2ccccc2O)cc1C(=O)N(C)C 48235455 WCHHKOKIGPUEPY-UHFFFAOYSA-N 316.357 1.773 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1cc[nH]n1 48303692 TZHBUOBTPJBNKH-ZDUSSCGKSA-N 316.361 1.781 0 40 DDAB COc1ccc(OC)c(-n2c(NN)nc3ccccc3c2=O)c1 408712824 UXVLTJBWTBXYQK-UHFFFAOYSA-N 312.329 1.689 0 40 DDAB CCCC(=O)NCc1c2c(c(OC)c3c1OCO3)CN(C)CC2 8765457 KYYYJCBPAQYOPE-UHFFFAOYSA-N 320.389 1.828 0 40 DDAB biogenic Cc1cc(=O)oc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4044152 BZFGXOPHQDZQOB-ZDUSSCGKSA-N 315.325 1.682 0 40 DDAB biogenic O[C@@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccc(F)cc1 69418051 SWUHWMBCUFVWRE-CVEARBPZSA-N 305.353 1.457 0 40 DDAB Nc1nc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n[nH]1 8292546 YYNLGGDBMDOPAU-LLVKDONJSA-N 303.391 1.843 0 40 DDAB O=C([C@@H]1CSCN1C(=O)C1CCCC1)N1CCSCC1 64523980 MIFVUEJRXQMQRW-LBPRGKRZSA-N 314.476 1.654 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1 69463866 BCHVMEHQVSSYLL-HZPDHXFCSA-N 318.421 1.838 0 40 DDAB CSc1ccc(C)c(C(=O)OCCNS(C)(=O)=O)c1 65538005 SSIDANFGILGYRM-UHFFFAOYSA-N 303.405 1.423 0 40 DDAB O=C(NC1CCN(CCc2ccncc2)CC1)N1CCCC1 65604150 OOJCBDUJUWGGML-UHFFFAOYSA-N 302.422 1.894 0 40 DDAB CC(C)CCN1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 65622711 FMAGLEOXGZVRAP-UHFFFAOYSA-N 318.421 1.981 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-n2cnnn2)cc1 5459606 JQOOPNFWCFLPJH-BETUJISGSA-N 315.377 1.831 0 40 DDAB c1nc(N2CCO[C@H](Cn3cncn3)C2)c2sccc2n1 69818595 PDBNLGYYKSHTJU-JTQLQIEISA-N 302.363 1.188 0 40 DDAB CCc1ccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)o1 71882376 GOFFDOGPMIBWBA-UHFFFAOYSA-N 304.350 1.491 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCc1csc(C)n1 71841266 BEWSSWQWXWLXGY-ZJUUUORDSA-N 312.439 1.596 0 40 DDAB C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)CO1 71828390 XKIXCIBDXXQOTF-RYUDHWBXSA-N 300.358 1.706 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 71870975 RDLDHHAIKXOYET-LLVKDONJSA-N 314.788 1.547 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)nn1 71799262 PKAPFKHBBFABDZ-CYBMUJFWSA-N 300.366 1.253 0 40 DDAB CN1CCC(N2CC[C@H](N(C)C(=O)NCC(F)(F)F)C2)CC1 71908628 RKIFQKVLWDNNPL-LBPRGKRZSA-N 322.375 1.359 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 89937957 OBKGBEHVEXHINL-LBPRGKRZSA-N 314.389 1.018 0 40 DDAB COc1c([C@H]2CCCN2C(=O)c2cnccn2)c(C)nn1C 72234238 SKYKLGIUBBNNBE-GFCCVEGCSA-N 301.350 1.504 0 40 DDAB CC[C@@H]1CN(c2nn3cc(C)nc3s2)CCN1C[C@@H](C)O 72276333 VDVFLFXFHYICHN-VXGBXAGGSA-N 309.439 1.381 0 40 DDAB COCCN1CCN(Cc2cccc(-n3cccn3)c2)CC1=O 97051966 DCNDZCKETYJWGW-UHFFFAOYSA-N 314.389 1.163 0 40 DDAB Cc1ccc(CNC(=O)N2CCOC[C@H]2C)c(N2CCCC2)n1 97080666 RWQAVLKSJZSNMU-CQSZACIVSA-N 318.421 1.921 0 40 DDAB CCc1nnc(CN2CCNC(=O)[C@H]2c2ccccc2C)o1 97135338 JAFUNCXIPWCPIH-OAHLLOKOSA-N 300.362 1.614 0 40 DDAB Cc1nc2ccccc2nc1CN1CCc2nn(C)c(=O)cc2C1 72302381 GWMAYNMWUDYWGL-UHFFFAOYSA-N 321.384 1.590 0 40 DDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)c3ccccc3Cl)CCO2)n1 76048063 ZQHAGIKGRAAPDB-UONOGXRCSA-N 322.796 1.873 0 40 DDAB CN1CCc2ccc(C(=O)Nc3ccc(-n4cncn4)nc3)cc21 97373146 VVDMDWZVSIBIGR-UHFFFAOYSA-N 320.356 1.907 0 40 DDAB CN(C(=O)OC(C)(C)C)C1CCN(Cc2nnnn2C)CC1 95393125 HYLWYXLPLDFGOC-UHFFFAOYSA-N 310.402 1.041 0 40 DDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCC(F)(F)F 95377670 MBBQFCIIQSVKRX-UHFFFAOYSA-N 321.299 1.310 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc3ccccc3n1)CC2 95393648 KGULEFODPCEVGT-CYBMUJFWSA-N 307.357 1.880 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCO[C@H](Cc2ccccc2)C1 95463693 AOKOPPPYFRKNFR-OAHLLOKOSA-N 300.362 1.563 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ncc(-c2cccc(F)c2)o1 95966318 IYILGHFUVQZNGR-STQMWFEESA-N 320.320 1.589 0 40 DDAB Cc1nc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c2ccccn12 95961061 JTMVIPGUZRXAOR-QWRGUYRKSA-N 321.402 1.290 0 40 DDAB O=C([C@H](O)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 74365820 KNOJMUYPCDHSSX-IAGOWNOFSA-N 318.417 1.433 0 40 DDAB O=C(NCCOc1cccc(Cl)c1)N1CCO[C@@H](CO)C1 78900265 GXBUQFZXBURAHA-CYBMUJFWSA-N 314.769 1.122 0 40 DDAB Cn1cccc1[C@@H]1CCCN1C(=O)NCCNC(=O)C1CC1 79252660 IHOKXSHWJNEMMF-AWEZNQCLSA-N 304.394 1.398 0 40 DDAB C[C@@H](c1cnn(C)c1)N(C)c1cc(N2CCOCC2)ncn1 302858494 SYKYWAFPECVVQO-LBPRGKRZSA-N 302.382 1.244 0 40 DDAB CN(CCNS(=O)(=O)Cc1ccccc1Cl)C1CC1 60379030 RHZWKOFEQMHJHG-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB COc1ccc(CNC(=O)NCc2cc(C)on2)cc1OC 60058899 IRRYAKSTEKZZPH-UHFFFAOYSA-N 305.334 2.000 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1 175677496 MLGYTEFZXQNYDP-UHFFFAOYSA-N 324.324 1.925 0 40 DDAB Cc1cc(C)n(Cn2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)n2)n1 32648281 QMCXXMNAODMPMB-ZIAGYGMSSA-N 317.393 1.452 0 40 DDAB CC(C)COc1ccc(NC(=O)C(=O)NCCCCCO)cc1 408709841 XUPCSNCJEFOCPN-UHFFFAOYSA-N 322.405 1.939 0 40 DDAB COC(=O)[C@](C)(CNC(=O)c1cc(C)no1)c1ccccc1 188466895 UPZPUBPECWBFIA-MRXNPFEDSA-N 302.330 1.844 0 40 DDAB CN(C[C@@H]1CCCN1CC(=O)O)C(=O)OCc1ccccc1 79413641 DTLOXENQPUGZCG-AWEZNQCLSA-N 306.362 1.804 0 40 DDAB COC(=O)c1cncc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 536557079 WDXXNPMICNSJJU-UHFFFAOYSA-N 323.312 1.906 0 40 DDAB CSc1ccccc1NC(=O)C(=O)NCC1(O)CCOCC1 70639014 AFOOAUGHCLYEMK-UHFFFAOYSA-N 324.402 1.005 0 40 DDAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCN1CCOCC1 38754380 VQSZPRORCDVAIB-OAHLLOKOSA-N 310.369 1.432 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 79391399 FVWYMSITWXTNBF-OLZOCXBDSA-N 313.442 1.685 0 40 DDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccncc2)c1 78554399 HQIRLPPWGRCXRZ-UHFFFAOYSA-N 306.343 1.977 0 40 DDAB O=C(O)[C@@H](c1ccccc1F)N1CCN(c2cnccn2)CC1 572889549 RMRACBQEETWWEE-OAHLLOKOSA-N 316.336 1.564 0 40 DDAB Cc1cc([C@H](O)CCNC(=O)c2cccn(C)c2=O)c(C)o1 85561270 RNGNESAJSUFAPL-CQSZACIVSA-N 304.346 1.449 0 40 DDAB C[C@H]1CCN(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1C(=O)O 568389485 LHBHYUXJAUMMOP-GWCFXTLKSA-N 319.361 1.038 0 40 DDAB CC1(C)CCN(C(=O)NC[C@H]2CC=CCC2)CCS1(=O)=O 193571990 COMOCDRXXJFFBM-ZDUSSCGKSA-N 314.451 1.951 0 40 DDAB COC[C@@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCNC1 572290543 WVYNOOWPIZYFFI-QGZVFWFLSA-N 315.373 1.808 0 40 DDAB C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@@H]3CC[C@@H]2O3)C[C@@H](C)O1 195537292 KNZGEPYVGSFWQC-OWYFMNJBSA-N 310.438 1.560 0 40 DDAB C[C@H]1CCSCCN1C(=O)Nc1ccn(CCN(C)C)n1 192278572 PFPZWNDZAWLZEW-LBPRGKRZSA-N 311.455 1.804 0 40 DDAB Cc1nc(COc2ccc(CC(=O)NCCO)cc2)sc1C 88520480 MHKZYPQNLQKQOY-UHFFFAOYSA-N 320.414 1.990 0 40 DDAB Cc1nc(CN2C(=O)N[C@@](C)(c3cccnc3)C2=O)oc1C 85268187 HLQMOIUKRNVWNM-HNNXBMFYSA-N 300.318 1.654 0 40 DDAB CCN1C(=O)CC[C@H](C(=O)Nc2cn[nH]c2)[C@H]1c1cnn(C)c1 331604534 LTYOHFCMQCZQHN-GXTWGEPZSA-N 316.365 1.082 0 40 DDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(c1ncccn1)C2 96039517 LHSWCDZUSWIOBT-DOTOQJQBSA-N 320.437 1.430 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(F)c1F 96420334 JPPJQGQRGUNTIR-SKDRFNHKSA-N 312.316 1.571 0 40 DDAB CCCNC(=O)CNc1ccc(F)cc1CS(C)(=O)=O 96470263 MNPSMQLPLGKCFD-UHFFFAOYSA-N 302.371 1.308 0 40 DDAB COc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1F 95470248 KBCUPFXJSMYJHC-UHFFFAOYSA-N 320.276 1.333 0 40 DDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(CCC(C)C)CC2)O1 96263049 IJSBKCDOGYOKFC-AWEZNQCLSA-N 320.437 1.365 0 40 DDAB Cc1ccc(CN2CCOC[C@]3(C[C@H](CN(C)C)CO3)C2)o1 96051933 DYLCPCYQUOSQBJ-WBVHZDCISA-N 308.422 1.757 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cnoc2C)Cc2cnn(C)c21 96044712 DRXRFOSBULMBGD-LBPRGKRZSA-N 304.350 1.493 0 40 DDAB COc1cccc2c1OC(N)=C(C(=O)Nc1nccs1)C2 98212461 IHQZADNKRWBQRU-UHFFFAOYSA-N 303.343 1.896 0 40 DDAB CCOc1ccccc1C(=O)NN1C(=O)[C@H]2CC=CC[C@H]2C1=O 96137382 RZIKJIQGEPUNMZ-TXEJJXNPSA-N 314.341 1.681 0 40 DDAB Cc1cnc(N2CCn3c(CNC(=O)C4CC4)cnc3C2)nc1 96201179 MNVGJYOJWGGBOY-UHFFFAOYSA-N 312.377 1.028 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@H]1c1cnn(C)c1 245339377 SIVOUGAMGBUGFX-GTCSDELNSA-N 317.389 1.228 0 40 DDAB c1csc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 253588601 JYUCUCVENFJMST-KGLIPLIRSA-N 316.430 1.876 0 40 DDAB CN1C(=O)CO[C@H]2CCN(Cc3cccc4cccnc34)C[C@@H]21 257231546 GHFGPTIYSLTUIH-HOTGVXAUSA-N 311.385 1.666 0 40 DDAB Cc1ccn(CCC(=O)N2CCO[C@H](c3ccnc(C)n3)C2)n1 257211682 BZXJBPDTLHCGGB-HNNXBMFYSA-N 315.377 1.280 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 257215234 CPFPGPIXAFFIPX-GFCCVEGCSA-N 304.375 1.764 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cccnc2)n1 257227919 FROIDLOFMHKJQD-AWEZNQCLSA-N 300.362 1.646 0 40 DDAB Cn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)ccn1 257250487 JMRXAZHOVWPHLL-CYBMUJFWSA-N 306.391 1.579 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2cn(C)nc2C)cc1 257203473 AQFKXFMWRKFWEP-MRXNPFEDSA-N 314.389 1.524 0 40 DDAB COC[C@H]1c2c(cnn2C)CCN1C(=O)c1ccnc(F)c1 585111001 PCLDYJQQSBIUAG-LBPRGKRZSA-N 304.325 1.340 0 40 DDAB O=C(Cn1c(-c2ccccc2)noc1=O)NC1CCCCC1 58294881 BRAMBSDNKXNVNO-UHFFFAOYSA-N 301.346 1.952 0 40 DDAB C[C@@H](NCC1(c2ccc(F)cc2)CCCC1)C(=O)NC(N)=O 56160076 JOPZAPHMKFUFDL-LLVKDONJSA-N 307.369 1.811 0 40 DDAB O=C(N[C@H]1CCCCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 69629040 SYFOMRLHMUOLQV-HIFRSBDPSA-N 322.430 1.940 0 40 DDAB CCc1nc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)no1 69699371 DWWBVXMIDKENQO-CYBMUJFWSA-N 304.398 1.753 0 40 DDAB CN(CCc1ccccn1)c1cnn(C)c(=O)c1Br 71903083 BNFULNRXNVJKQF-UHFFFAOYSA-N 323.194 1.617 0 40 DDAB CC(C)c1cnc(CS(=O)(=O)CC(=O)NC2CCCC2)o1 79064922 NCBRZKWPSBHJCZ-UHFFFAOYSA-N 314.407 1.772 0 40 DDAB CC(=O)NCCCS(=O)(=O)c1ncccc1Br 97022608 WXUQJUWZUBIMQZ-UHFFFAOYSA-N 321.196 1.144 0 40 DDAB Cc1[nH]cc(C(=O)NCc2ncc[nH]2)c(=O)c1Br 97080758 GSVKPGSZMVZIPI-UHFFFAOYSA-N 311.139 1.099 0 40 DDAB O=C(NCCO)/C(=C/c1cccs1)NC(=O)c1cccs1 2297776 GCPCIPWRZXEAGF-LUAWRHEFSA-N 322.411 1.689 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCC2)c1 16736512 YBJXNJWXPWQGRN-UHFFFAOYSA-N 310.419 1.546 0 40 DDAB CCn1ccc(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)n1 19747860 GEPYHABXTFEOLP-CYBMUJFWSA-N 304.394 1.378 0 40 DDAB CNc1cc(CN(C)CC2=CCCOC2)nc([C@H]2CCCN2)n1 19759980 KSGIZYMBLLVAHV-OAHLLOKOSA-N 317.437 1.721 0 40 DDAB C[C@H]1C(=O)N(C[C@@H](O)C(F)(F)F)C(=O)N1c1ccc(F)cc1 158024289 ICGVUAONGCNTDM-OIBJUYFYSA-N 320.242 1.906 0 40 DDAB Cc1ccc(CCCC(=O)N(C)C[C@@H]2COC[C@@H](O)[C@H]2O)cc1 643551034 FDHFEPOBHLATIR-NUJGCVRESA-N 321.417 1.144 0 40 DDAB COc1ccccc1C[C@@H](C)NC(=O)c1cnc(N(C)C)nc1 12196603 ZERPIZVBYOWYLR-GFCCVEGCSA-N 314.389 1.912 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(C)C)c1C 3453396 MSWWBULNEGZAMW-UHFFFAOYSA-N 310.350 1.347 0 40 DDAB O=C(C[C@H]1Sc2ccccc2NC1=O)O[C@H]1CCOC1=O 4546696 CKFGGRXLEIYZEQ-GXSJLCMTSA-N 307.327 1.348 0 40 DDAB Cc1cnccc1OCC1CCN(C[C@H]2CC(=O)N(C)C2)CC1 1889070537 JHQZKBNGDWUDCR-INIZCTEOSA-N 317.433 1.959 0 40 DDAB O=C([C@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCCC1 1889096350 RTKBDAJAPCNBJL-OAHLLOKOSA-N 316.405 1.183 0 40 DDAB CS(=O)(=O)c1cccc2sc(N3CCC[C@@H](O)C3)nc12 1889098054 BODQEBJJPBOROG-SECBINFHSA-N 312.416 1.661 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)COc3cccnc3)C2)n1 1848355461 QPMUHNAIONNXOD-AWEZNQCLSA-N 312.373 1.965 0 40 DDAB CCc1cnc(OC2CCN(CCn3nccn3)CC2)nc1 1776008335 DDFLJKWPUIVZOB-UHFFFAOYSA-N 302.382 1.174 0 40 DDAB Cc1cncc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087139270 KTXTUMDULCBNTR-UHFFFAOYSA-N 310.423 1.178 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1c(F)cccc1Br 1548448028 GWEKTKPJRTXEEP-NXEZZACHSA-N 317.158 1.305 0 40 DDAB COC1(CC(=O)N2CCc3ncc(CN(C)C)n3CC2)CCC1 1565548251 WBOCVADYXFTFAG-UHFFFAOYSA-N 320.437 1.289 0 40 DDAB CCN1C(=O)C2(CCN(C(=O)c3cc[nH]n3)CC2)c2ccccc21 1565544099 DABIIKCKCLONMH-UHFFFAOYSA-N 324.384 1.950 0 40 DDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 4524593 ABVBOYDDLJKDFV-LMOYCYGVSA-N 319.744 1.454 0 40 DDAB O=C(CSc1nc(O)c2cn[nH]c2n1)Nc1nccs1 18180149 HVPONRJUCLDLFY-UHFFFAOYSA-N 308.348 1.246 0 40 DDAB Cn1c(=O)n(CC(=O)NCc2ccccc2)c(=O)c2ccccc21 72408066 ZYYWDBIWHBSFCI-UHFFFAOYSA-N 323.352 1.017 0 40 DDAB CCCn1nnnc1CN1CCC(Nc2cccc(C)n2)CC1 77316667 AGGITXNHPYVMGL-UHFFFAOYSA-N 315.425 1.863 0 40 DDAB CCc1nnsc1C(=O)NCCC(=O)N(C)c1ccccc1 40107691 SDTAOHHNBYZCFS-UHFFFAOYSA-N 318.402 1.883 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1O 100247764 KNWRWNACPFMHBP-JTQLQIEISA-N 302.290 1.284 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(N2CCCCCC2)nc1 69334777 WSOWAOBDQPUHIR-CQSZACIVSA-N 316.405 1.470 0 40 DDAB COC(=O)[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(C)C 3010492 JPMNNMZMIYCVGZ-UKRRQHHQSA-N 317.389 1.352 0 40 DDAB CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1F 40515860 FOOPICZOXKNINV-UHFFFAOYSA-N 307.369 1.978 0 40 DDAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 40506154 RVTGZHGCANMMKV-SSDOTTSWSA-N 307.297 1.801 0 40 DDAB Cc1nc(-c2ccc(CC(=O)N3CCNC(=O)C3)cc2)cs1 40510383 RVPNTZRVXFMXQY-UHFFFAOYSA-N 315.398 1.619 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OCCO2 4339173 UAHCFSATGOVTIW-JTQLQIEISA-N 311.359 1.221 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1 6204993 MTGRWHDDDGKLLX-OLZOCXBDSA-N 312.391 1.286 0 40 DDAB Cc1ccc([C@@H](Cc2ccccc2)NC(CO)(CO)CO)cc1 6522685 JDDYFRSDPUEBLF-GOSISDBHSA-N 315.413 1.584 0 40 DDAB CCNC(=O)CNc1ccc(F)c(-n2nnnc2C2CC2)c1 96427575 OKZDOLLYQAKDAX-UHFFFAOYSA-N 304.329 1.227 0 40 DDAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]1O2 107264982 SGQNZEQIMZKYCS-ARFHVFGLSA-N 324.384 1.387 0 40 DDAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2)n1 411456 GWHDAEPUZDJMJR-UHFFFAOYSA-N 309.329 1.987 0 40 DDAB CC(C)N(CC(N)=O)CC(=O)Nc1ccnn1C1CCCC1 52659254 NELRZXXLGURPJL-UHFFFAOYSA-N 307.398 1.132 0 40 DDAB CN1N=C(C(=O)N[C@@H](c2ccccc2)c2ccccn2)CCC1=O 29715567 ZZFFCFAPFVIKFU-KRWDZBQOSA-N 322.368 1.895 0 40 DDAB O=C(NCc1cccnc1OC1CCCC1)c1cccc[n+]1[O-] 52874282 QKNDGXIMBUFXRR-UHFFFAOYSA-N 313.357 1.966 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccs2)cc1 26666532 DYANMDOSPNQLHH-UHFFFAOYSA-N 324.427 1.765 0 40 DDAB CCCCN(CCCC)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC 3132769 VTPWYAKUKBELNM-UHFFFAOYSA-N 321.425 1.850 0 40 DDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCO[C@@H]2CCC[C@@H]21 53382953 INRLOFUUGHNSAT-JKSUJKDBSA-N 312.373 1.720 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1cccnc1N1CCOCC1 41975056 MQXPFUYHSYPDCJ-CQSZACIVSA-N 318.421 1.132 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(C)c1 53776049 XMKJQFXLZCDZNR-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB CS(=O)(=O)NC(=O)c1cc(Cl)c2c(c1)OCCCO2 42279679 YOJLCCXQKNOSNP-UHFFFAOYSA-N 305.739 1.191 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 57312753 AHHGDOXXHIEZDU-GOEBONIOSA-N 304.390 1.749 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F 171723458 AQVNAVXQESPGFB-LLVKDONJSA-N 300.280 1.724 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCN(c3nccs3)CC2)on1 54548327 PRRYZQUYCAIYSN-NSHDSACASA-N 321.406 1.589 0 40 DDAB CCN(CC(=O)NC(N)=O)[C@H]1CCN([C@H](C)c2ccccc2)C1 106160301 GVLLYUCTJXZRLB-HIFRSBDPSA-N 318.421 1.339 0 40 DDAB O=C(C[C@H]1C(=O)NCCN1C1CCCC1)OCc1ccccc1 55422112 PHSWZWFASXLWPK-INIZCTEOSA-N 316.401 1.863 0 40 DDAB C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)ncc1Cl 107149992 SXURKKLASYHHCD-WDEREUQCSA-N 312.801 1.580 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 57312288 XTWZEXYYEFJGMS-ZDUSSCGKSA-N 304.394 1.043 0 40 DDAB CCc1ccc(NC(=O)[C@@H](C)N[C@]2(C)CCS(=O)(=O)C2)cc1 58066544 OBBQXLWOYIEUBP-MLGOLLRUSA-N 324.446 1.743 0 40 DDAB O=C(CN1CCCN(c2nccs2)CC1)Nc1nccs1 58162135 WQRIXOYNCYZYJT-UHFFFAOYSA-N 323.447 1.750 0 40 DDAB Cc1csc(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)n1 29780034 ILERROQLNDZRPJ-LBPRGKRZSA-N 317.418 1.774 0 40 DDAB CC(=O)NCC1CCN(Cc2cccc3c2OCCO3)CC1 58217590 AHHJSHYEWZTGDU-UHFFFAOYSA-N 304.390 1.806 0 40 DDAB CC[C@@](C)(NC(=O)COc1ccc(F)cc1F)C(=O)OC 58210007 DVMMYSXNOHRPKQ-CQSZACIVSA-N 301.289 1.802 0 40 DDAB Cc1nnc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)s1 44971841 OGLCXUZCMZRQEQ-SNVBAGLBSA-N 319.394 1.427 0 40 DDAB O=C(CCS(=O)(=O)C1CCCC1)NCCc1ccccn1 44948875 AVYOTDNBYOQHML-UHFFFAOYSA-N 310.419 1.488 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 44913197 YIWXPVPYFWPQFS-OLZOCXBDSA-N 316.357 1.969 0 40 DDAB CN(C)[C@@H](CNC[C@H]1CNc2ccnn2C1)c1ccsc1 58326354 XGXPJIVDGYLXRM-JSGCOSHPSA-N 305.451 1.879 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1nnc2ccccn12 58393362 FRVOYEHFSHSMQI-GFCCVEGCSA-N 313.409 1.688 0 40 DDAB CC(C)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1 3284665 ZOVZCJCYNWTJOH-UHFFFAOYSA-N 312.753 1.138 0 40 DDAB O=C(/C=C/c1ccsc1)N1CCN(c2ncccn2)CC1 8037981 CCBUDPYMHCFCGT-NSCUHMNNSA-N 300.387 1.900 0 40 DDAB NC(=O)NC(=O)COC(=O)Cc1csc(-c2ccccc2)n1 3349592 SOYZUXCDQCVIIG-UHFFFAOYSA-N 319.342 1.091 0 40 DDAB Cc1cc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)s1 48342151 IESJUNBOBZZWRX-JTQLQIEISA-N 323.461 1.173 0 40 DDAB Cc1cc(C)c(C(N)=O)c(NCC(C)(C)N2CCOCC2)n1 12905824 DAVIZICHIOWDGQ-UHFFFAOYSA-N 306.410 1.320 0 40 DDAB Cc1cnn(C[C@H](C)NCc2cc(=O)n3cc(C)ccc3n2)c1 70040881 POIBWGUYTLAHIE-AWEZNQCLSA-N 311.389 1.686 0 40 DDAB CCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCC(C)C)[C@H]3C1=O 4044023 NIFXRUKLZIIAPQ-VWPFQQQWSA-N 307.390 1.768 0 40 DDAB biogenic O=C1OCC[C@H]1N1CCC[C@H](c2nnc3n2CCCCC3)C1 69454525 ZMOHZRYJUATDGX-QWHCGFSZSA-N 304.394 1.499 0 40 DDAB C[C@@H]1COCCN1C(=O)Cc1csc(Cc2ccccn2)n1 49676622 AHHGXADLGLMWQH-GFCCVEGCSA-N 317.414 1.919 0 40 DDAB O=C(CCC(=O)N1CCCCc2ccccc21)N1CCOCC1 69485378 BVRYMWLYELXAOW-UHFFFAOYSA-N 316.401 1.995 0 40 DDAB CC(C)NC(=S)Nc1ccc(N2CCOCC2)c2nonc12 13754418 WMYWIQQOBOCAJS-UHFFFAOYSA-N 321.406 1.754 0 40 DDAB COc1ccc(C(=O)OCC(=O)NCc2ccco2)c(F)c1 6113474 KPOOBHFVDLAQOY-UHFFFAOYSA-N 307.277 1.901 0 40 DDAB C[C@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)C[C@H](C)O1 14138104 VTIDPGDAZNQEJQ-QWRGUYRKSA-N 307.325 1.709 0 40 DDAB COC[C@@H](C)NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 14187356 HPDXHYBLWQKKFJ-UTSBKAFOSA-N 302.374 1.978 0 40 DDAB C[C@@H](C(=O)NCc1cccc(OCC(F)F)c1)n1cncn1 69565729 MDZKROVESBOTCA-JTQLQIEISA-N 310.304 1.799 0 40 DDAB COc1ccc(Br)cc1C[C@@H](NC(C)=O)C(=O)O 69552813 JYSIQVOCFJBUOK-SNVBAGLBSA-N 316.151 1.590 0 40 DDAB CCn1cc(CC(=O)N(CC(N)=O)C(C)C)c2ccccc21 69656717 UAHWFFXXEMARGV-UHFFFAOYSA-N 301.390 1.926 0 40 DDAB CC(C)n1c(=O)c2ccccc2n(CC(=O)N2CCCC2)c1=O 6801470 ACQWPSPWORRCGN-UHFFFAOYSA-N 315.373 1.367 0 40 DDAB CN1C(=O)N/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409192852 FZYDWROKXBYVBQ-UKTHLTGXSA-N 311.297 1.698 0 40 DDAB Cc1cc(NC(=O)CSc2nc([C@@H]3CCCO3)n[nH]2)no1 8924397 KRQKNZDSRCBXDJ-QMMMGPOBSA-N 309.351 1.683 0 40 DDAB COCCN1CCCN(C(=O)[C@H](C)OCCC(C)C)CC1 96134038 ZKVRPWSUJARTQI-HNNXBMFYSA-N 300.443 1.618 0 40 DDAB COCCOc1ncccc1C(=O)Nc1ccnc2ccnn12 71888854 RYSSPZBKKVMVCZ-UHFFFAOYSA-N 313.317 1.402 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CN(C)c1ccc(Cl)cn1 71830101 NHPQAAGANOSBNT-MNOVXSKESA-N 324.812 1.284 0 40 DDAB CCOC(=O)C1(NC(=O)CCC(=O)OC)Cc2ccccc2C1 71850925 RCLTZVFCVGGPHO-UHFFFAOYSA-N 319.357 1.157 0 40 DDAB Cc1ccc(C)c(N2CCN(c3nc(N)nc4nc[nH]c34)CC2)c1 9421144 QZSIYSZBQBLIRQ-UHFFFAOYSA-N 323.404 1.879 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)N(C)CC3CC3)CC2=O)cc1 71892739 OWCYTMPBKKAPFL-HNNXBMFYSA-N 316.401 1.912 0 40 DDAB Cc1nc(Cl)ccc1COC(=O)[C@H]1CCCN(C(N)=O)C1 89536928 LELSINIZAQHBOK-JTQLQIEISA-N 311.769 1.877 0 40 DDAB CCc1noc(C)c1C(=O)N1C[C@H](CC)[C@@H](N2CCOCC2)C1 83817410 RFAUBNXAXNLBNL-ZFWWWQNUSA-N 321.421 1.728 0 40 DDAB O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(F)cc1OCC1CC1 75110231 SHUSJZAROWNECS-UHFFFAOYSA-N 321.312 1.348 0 40 DDAB O=C(CN(Cc1cccnc1)Cc1ccco1)N1CCNC1=O 97080447 BKEDBPYIUZTKNE-UHFFFAOYSA-N 314.345 1.229 0 40 DDAB O=S(=O)(NCCO)C1=Cc2ccc(OC(F)F)cc2CC1 84490025 YMPRJDPCCAQRAK-UHFFFAOYSA-N 319.329 1.487 0 40 DDAB CN(C)S(=O)(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 72719993 GLFSATCITKYYRQ-OAHLLOKOSA-N 311.451 1.389 0 40 DDAB C[C@]1(NC(=O)c2ccnc3ccccc23)CCS(=O)(=O)C1 72752846 YOMLHVFYPUYHRE-HNNXBMFYSA-N 304.371 1.542 0 40 DDAB CC1CCC(N2C[C@H](C(=O)N[C@H](CCO)C(C)C)CC2=O)CC1 84689311 YSBQHWGQJHTHGI-GYTBAZASSA-N 324.465 1.937 0 40 DDAB O=C(Cc1ccccc1O)N[C@@H]1CCC[C@H](C(=O)NC2CC2)C1 95397917 YWDJMTGOGKKEJO-DZGCQCFKSA-N 316.401 1.888 0 40 DDAB Cc1ccc(C(N)=O)cc1NCCCNC(=O)C(F)(F)F 95460372 SWYHEPYASULPQT-UHFFFAOYSA-N 303.284 1.574 0 40 DDAB C[C@@H](C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1 95408433 OEMRPMDWODGYQS-SSDOTTSWSA-N 312.782 1.826 0 40 DDAB Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)n2ncnc2n1 95405427 WLUUFWLTKHNSDB-KGLIPLIRSA-N 300.410 1.884 0 40 DDAB C[C@@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)Nc1ccccc1 95456895 QIHXPAUAQOQJGE-PXAZEXFGSA-N 317.389 1.579 0 40 DDAB O=C(NC1CC1)C(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 95973256 UHAYADIYGQHEIA-LBPRGKRZSA-N 322.792 1.988 0 40 DDAB O=C(O)C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1)C1CC1 95970322 QEEWIIPMUFRHQE-ZDUSSCGKSA-N 317.320 1.995 0 40 DDAB Cn1cc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cn1 25306387 PVKJCSGFJXCNDD-UHFFFAOYSA-N 319.365 1.003 0 40 DDAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1 170613521 HHYGYMQXGYDRPP-LCGIIJARSA-N 309.373 1.591 0 40 DDAB Cc1ccc(C[C@@H](C)C(=O)N(C)C[C@@H](C)c2nnn[nH]2)cc1 124430768 TUUDTVLGRGJYCL-CHWSQXEVSA-N 301.394 1.949 0 40 DDAB Cc1cc(C(=O)NC2CCC(Oc3cnccn3)CC2)on1 188277469 HSXMQOAZKMQQGI-UHFFFAOYSA-N 302.334 1.893 0 40 DDAB COc1cccc2c(N3CCO[C@@H](CC(=O)O)C3)ccnc12 514938017 ADZSWJVPTIFYNB-NSHDSACASA-N 302.330 1.923 0 40 DDAB O=C1C=C(Nc2cccc(-c3nc(-c4ccccn4)n[nH]3)c2)CN1 524732760 ZSQNEWXVWPZVRT-UHFFFAOYSA-N 318.340 1.959 0 40 DDAB COCCN(C1CCCC1)S(=O)(=O)c1c(C)noc1C 32809793 FHAPLYVHUWIBHK-UHFFFAOYSA-N 302.396 1.871 0 40 DDAB O=C(O)CCC(=O)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 77266341 IBEMDQCCHLNPGB-CYBMUJFWSA-N 323.393 1.132 0 40 DDAB biogenic,in-vitro CC[C@@H](CO)NC(=O)C(=O)Nc1cc(-n2cccc2)ccc1F 77679333 CLFJXKCJWANHTR-NSHDSACASA-N 319.336 1.442 0 40 DDAB CCc1cc(CNc2cc([C@@H]3CNCCO3)nc(C)n2)on1 72387879 FXVRZLLXVSTKBB-AWEZNQCLSA-N 303.366 1.608 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@H]1c1cccc(F)c1 72241716 CNXZZLQJJWEGRS-HZPDHXFCSA-N 320.364 1.783 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1ccc[nH]1 565024130 IHJBCHKROAJZAK-GUYCJALGSA-N 324.384 1.892 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218383733 LEYJJZMAQJTMIF-MDZLAQPJSA-N 317.794 1.111 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)NCc2cccnc2)C[C@H]1c1ccccc1 562720795 SYIIGPALLVYDNR-JKSUJKDBSA-N 324.384 1.492 0 40 DDAB Cc1cc(O)nc([C@H](C)N2CCN(Cc3ccon3)CC2)n1 192604051 MXGZMIKYTSOIFA-LBPRGKRZSA-N 303.366 1.357 0 40 DDAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(N)=O)cc1OC 225369836 NVLOLABPAUYRFC-XFXZXTDPSA-N 316.313 1.553 0 40 DDAB CCO[C@@H]1C[C@@](O)(CNC(=O)c2c(C)nn(C)c2C)C1(C)C 191792956 YVXFRISNSMNIJM-MLGOLLRUSA-N 309.410 1.333 0 40 DDAB CCCNC(=S)Nc1nc(Cl)cc(N2CCOCC2)n1 225887209 FTJNCPCACACUCH-UHFFFAOYSA-N 315.830 1.663 0 40 DDAB COc1ccccc1OCC(=O)NC[C@](C)(O)CCSC 75157473 IKEPGNQPNPREHZ-OAHLLOKOSA-N 313.419 1.694 0 40 DDAB Cn1nccc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 130475249 DENVWTQZVXDCGR-ZDUSSCGKSA-N 318.764 1.387 0 40 DDAB COCc1cc(F)ccc1NC(=O)N[C@H]1CCc2ncnn2C1 190410902 BUOUTEGKYIGAJL-LBPRGKRZSA-N 319.340 1.700 0 40 DDAB Cn1cc(CN2CCC3(CC2)COCCN3CC2CC2)cn1 96226208 XZVOXBYRPPYMKJ-UHFFFAOYSA-N 304.438 1.497 0 40 DDAB CN(CCc1cccs1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 96439871 QGOGMJAKTDUANN-ZIAGYGMSSA-N 323.462 1.795 0 40 DDAB Cc1ccc(CNC(=O)C2CCN(c3nnnn3C)CC2)cc1 531333872 UIPHXDZNXCIQGB-UHFFFAOYSA-N 314.393 1.051 0 40 DDAB CN(C)CC(=O)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107550 KJCZYSURIOBNCG-YOEHRIQHSA-N 319.405 1.172 0 40 DDAB CCS(=O)(=O)NCc1ccc(C(=O)NCc2ccco2)cc1 96423547 PSYSSGOHMSZXBZ-UHFFFAOYSA-N 322.386 1.649 0 40 DDAB Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nnc(C)n4C3)c2c1 95957991 REVINNWQLGLALF-NSHDSACASA-N 310.361 1.516 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCOCC2)C12CCCC2 96419681 NLJKOKMUNUNNAJ-HUUCEWRRSA-N 310.438 1.515 0 40 DDAB COCCNc1ccnc([C@H]2COCCN2Cc2ccco2)n1 96209666 ITHZAFFBBIMWPA-CQSZACIVSA-N 318.377 1.701 0 40 DDAB CCN(CC)C(=O)Cc1ccc(OCc2nnnn2C)cc1 96191989 RJASQLIGLLEBBG-UHFFFAOYSA-N 303.366 1.200 0 40 DDAB CCOC[C@@H]1CN(Cc2cnn(C)c2)Cc2cn(CC)nc21 96059904 QZHNBNDBCYJNSK-HNNXBMFYSA-N 303.410 1.772 0 40 DDAB Cc1nc(CN2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)cs1 96053668 JJHNXZIUOTXYOB-FZMZJTMJSA-N 317.418 1.280 0 40 DDAB CC(C)(O)CCN1CCN(Cc2nc3ccccc3[nH]2)CC1 96490479 UPQCWJSEMQYEEF-UHFFFAOYSA-N 302.422 1.842 0 40 DDAB CC(=O)c1c(F)cccc1N1CCC[C@@H](NS(C)(=O)=O)C1 97103040 BXEPWWCDLSOJCY-LLVKDONJSA-N 314.382 1.546 0 40 DDAB CC(C)n1cnc(S(=O)(=O)NCC(=O)c2cccs2)c1 97380115 BQRKEELUSKIIPR-UHFFFAOYSA-N 313.404 1.687 0 40 DDAB CC(C)N(C(=O)c1cn(CC(=O)N2CCCC2)nn1)C1CCC1 95400129 DMNLUGDFXVJZFA-UHFFFAOYSA-N 319.409 1.304 0 40 DDAB CN(C)C(=O)NCc1ncn2c1CN(Cc1ccco1)CCC2 96259452 AEZSWPOMALWPLA-UHFFFAOYSA-N 317.393 1.653 0 40 DDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@H](c2ccn[nH]2)C1 257325086 WRJGNQMWZSSTNC-LBPRGKRZSA-N 308.345 1.825 0 40 DDAB CCc1nccn1CCC(=O)N1CCCC[C@H]2CNCC[C@H]21 257263316 LPHJIIQYAVEYDQ-LSDHHAIUSA-N 304.438 1.826 0 40 DDAB O=C(CN1CCCCC1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257281791 ORALEUWNDKIEGC-HZPDHXFCSA-N 322.380 1.262 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257288358 PTXKVLZFYPFIPN-OAHLLOKOSA-N 316.361 1.532 0 40 DDAB Cc1nccc([C@@H]2CCCN(C(=O)Cc3nonc3C)C2)n1 257313746 UTYKYAPDNUQHNS-GFCCVEGCSA-N 301.350 1.425 0 40 DDAB c1coc(CN2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)c1 253596485 RTOFSRAQNJELBS-JKSUJKDBSA-N 318.377 1.321 0 40 DDAB Cc1cc(C)cc([C@H](O)CNC(=O)NCCn2cccn2)c1 252510336 ZHSMKXRAISDRAJ-OAHLLOKOSA-N 302.378 1.533 0 40 DDAB Cc1c(CN2CCC[C@@H]2c2nccc(CN(C)C)n2)cnn1C 257221892 DQZGOSQBXTVVLN-MRXNPFEDSA-N 314.437 1.917 0 40 DDAB CC(C)(C)SCCN1CCC([C@]2(C)NC(=O)NC2=O)CC1 252482721 DMKQKFAHGKLJAS-HNNXBMFYSA-N 313.467 1.828 0 40 DDAB O=C(Nc1cnc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2 85555500 QWJFIMNKXDPXGF-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C 585098199 RYOPRPMOHJLQIR-LBPRGKRZSA-N 318.421 1.654 0 40 DDAB O=C(c1cnc[nH]1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 585278843 HMHDILKAASBTEI-DOMZBBRYSA-N 303.337 1.615 0 40 DDAB O=C(c1cnc[nH]1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585278920 IVCMLQPCVAOMDY-DOMZBBRYSA-N 303.337 1.615 0 40 DDAB Cc1nc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cn1C 89709003 QNFCMIVNOPMGRM-UHFFFAOYSA-N 309.313 1.612 0 40 DDAB COCCN1CCC(NC(=O)c2cccc(OC)c2OC)CC1 85467915 PWIPDOZKYBKLRD-UHFFFAOYSA-N 322.405 1.544 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)c1nc2ccccc2s1 95427160 BJPMMMDAGXLVNL-WCQYABFASA-N 319.430 1.847 0 40 DDAB O=C1CC2(CN(Cc3cnc4ccccn34)C2)ON1CC1CC1 1549166482 FKYZKZJKWVFFHJ-UHFFFAOYSA-N 312.373 1.463 0 40 DDAB Cn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21 5687847 YYCCVXKYTMUNTE-UHFFFAOYSA-N 309.325 1.569 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 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DDAB C[C@@H]1CN(C(=O)C2CC2)C[C@]12CCN(Cc1cccnc1)C2=O 2055708134 NQGCQRSNRMUZOG-FZKQIMNGSA-N 313.401 1.689 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1cccs1 23106569 RJHCNVPPMDCXEV-VIFPVBQESA-N 308.363 1.094 0 40 DDAB CC(C)OCCCN[C@@H](CC(=O)Nc1ccccc1)C(=O)O 4939464 NMLPGWPPEZDHSB-AWEZNQCLSA-N 308.378 1.873 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1C[C@H](C)C[C@@H](C)C1 40105672 ZSNRPIMLRCMMNS-GHMZBOCLSA-N 315.439 1.548 0 40 DDAB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)Nc2nnnn21 71048 UFLQLWWCUZMUNE-ZDUSSCGKSA-N 315.333 1.534 0 40 DDAB NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 106159895 BOJBSHRDXAWBIA-JKOKRWQUSA-N 308.403 1.850 0 40 DDAB Cc1noc([C@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900649 VIQUZHTWPWDNDS-WPRPVWTQSA-N 304.354 1.141 0 40 DDAB COc1ccccc1C[C@@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 106650556 BZXFICDXHFKUTR-OLZOCXBDSA-N 319.405 1.533 0 40 DDAB CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1636057 ZTCBTOGWAOIVGS-SECBINFHSA-N 300.097 1.641 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 107049153 UYQRNKRJODGOKY-BRSBDYLESA-N 314.429 1.848 0 40 DDAB O=C1CN(C(=O)Nc2nnc(C3CCCCC3)s2)CCN1 43602665 PUJHSBUICAJJSO-UHFFFAOYSA-N 309.395 1.550 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)ccc1C 6953163 FUCYUBHLGJOUCR-AWEZNQCLSA-N 303.406 1.842 0 40 DDAB CN(C)C(=O)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 57943018 KMZJMACUCBMMAZ-OAHLLOKOSA-N 324.396 1.366 0 40 DDAB CCCc1nc(CSc2ncc(C(=O)OCC)c(N)n2)no1 58158531 RNNDBWSNORHQRY-UHFFFAOYSA-N 323.378 1.863 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)COc1cccc(C)c1 10365969 VBODFSYEDDJNHB-NSHDSACASA-N 308.334 1.151 0 40 DDAB CCOc1ccc(Br)cc1CNc1nnnn1C 8324598 SJPPTTUYKOMAOL-UHFFFAOYSA-N 312.171 1.983 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 8510625 UDGGYHHIMYVDMF-UHFFFAOYSA-N 314.407 1.232 0 40 DDAB COc1cccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[nH]2)c1 57523545 UHIOSXSSMJRIBW-CQSZACIVSA-N 324.344 1.568 0 40 DDAB CC(C)(O)CSCCNC(=O)NC1Cc2ccccc2C1 97140453 DSNPQSHCRIRTLW-UHFFFAOYSA-N 308.447 1.957 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccnn2C)cc1 97113250 XVMDLAAYIWDKEK-CYBMUJFWSA-N 307.419 1.681 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1cc2ccccc2c(OC)n1 58278835 OITGKHXFUAKJFV-UHFFFAOYSA-N 315.373 1.842 0 40 DDAB O=C(CN1CCC(c2cc[nH]n2)CC1)NCc1cccs1 58246112 KZUZEWWQZFGPFL-UHFFFAOYSA-N 304.419 1.967 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 57312751 AHHGDOXXHIEZDU-ZBFHGGJFSA-N 304.390 1.749 0 40 DDAB CC(C)Cc1nnc(NC(=O)CSc2nncn2C2CC2)o1 58344716 UCXSDIRKUSIEKI-UHFFFAOYSA-N 322.394 1.925 0 40 DDAB CCCCOc1ccc(NC(=O)C(=O)NCCCOC)cc1 9232711 RMJJIIFASJUMED-UHFFFAOYSA-N 308.378 1.957 0 40 DDAB CCCCNC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 58428179 RHDAEWNZDUBWMH-OAHLLOKOSA-N 324.446 1.374 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)c1 10753268 XWMZPHZMONBYFY-CQSZACIVSA-N 324.446 1.853 0 40 DDAB CN(C)C(=O)CCNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 58809634 JDRIZQLRBITYFJ-UHFFFAOYSA-N 320.389 1.330 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)NCc1ccccc1 54177491 CPMZDSOKSMYPGP-RRFJBIMHSA-N 301.390 1.092 0 40 DDAB COc1cc(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)ccn1 29197275 IENCOJJGMYZZBP-BZNIZROVSA-N 314.341 1.935 0 40 DDAB COc1cc(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)ccn1 29197270 IENCOJJGMYZZBP-BDJLRTHQSA-N 314.341 1.935 0 40 DDAB COc1cc(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)ccn1 29197283 IENCOJJGMYZZBP-ZBEGNZNMSA-N 314.341 1.935 0 40 DDAB Cc1c(C(=O)N2C[C@H](C)OC[C@H]2C)nnn1-c1ccc(F)cc1 45899405 IZJHOJQCYGIRGY-MNOVXSKESA-N 318.352 1.964 0 40 DDAB CCOC(=O)N1CCC(NC(=O)NCc2cc(C)on2)CC1 60058943 BJGJBHVOKRDKHX-UHFFFAOYSA-N 310.354 1.403 0 40 DDAB CC(=O)[C@@H]1[C@H]2[C@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 100741685 JMYRQFURESEJJS-DBDULZNHSA-N 311.337 1.416 0 40 DDAB biogenic Cc1cc(C)n(CCOc2cccc(F)c2)c(=O)c1C(N)=O 48312736 ZWZJDQNUOOMQDP-UHFFFAOYSA-N 304.321 1.782 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ncccn2)CC1 48309596 OAXUBTFUTKRQBU-LLVKDONJSA-N 300.366 1.620 0 40 DDAB COc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1 48313975 HRYHCTSPWYJULW-UHFFFAOYSA-N 314.389 1.986 0 40 DDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cnccn2)cc1 48367573 GCHPDTAPALEDQB-LBPRGKRZSA-N 312.373 1.935 0 40 DDAB CCOc1ccc(C(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 96000938 BORWUUFRQOAEJC-AWEZNQCLSA-N 317.345 1.990 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 3799730 ZZZXGWHCPXRYMR-HNNXBMFYSA-N 322.430 1.771 0 40 DDAB CN(Cc1ccco1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 13198295 CUOLBABMNKGLAX-UHFFFAOYSA-N 311.315 1.504 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc3no[n+]([O-])c3c2)cc1 13732540 XTOQGEFDLBPBDQ-UHFFFAOYSA-N 321.314 1.271 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)CCc2ccccc2)c1 4325292 GDSNZWOKAWKECX-UHFFFAOYSA-N 304.371 1.905 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 65452336 QOBPZUUCRDNDDO-AWEZNQCLSA-N 324.384 1.997 0 40 DDAB CC[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 65491412 RUTBLFRSOMOFJY-ZFWWWQNUSA-N 324.446 1.373 0 40 DDAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCO)ccc12 5307281 PSCCLNKFSIWWSY-UHFFFAOYSA-N 319.357 1.541 0 40 DDAB C[C@H]1CCCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)C1 65539301 QOHUFLOPFABEAE-ZFWWWQNUSA-N 317.389 1.596 0 40 DDAB COc1ccccc1[C@H](CNc1ccc2nnnn2n1)N(C)C 14139348 FZCCJKYPNBLBEU-LBPRGKRZSA-N 313.365 1.243 0 40 DDAB COc1ccccc1NC(=O)CN1CCN(C(=O)C2CC2)CC1 14109454 MHYKLVDUPDSUDT-UHFFFAOYSA-N 317.389 1.188 0 40 DDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1 5416097 GUKSGXWDYFCIEH-AWEZNQCLSA-N 304.346 1.846 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2cccs2)c2ccccc2O1 14251620 VMOAXPCWFGSYKV-GFCCVEGCSA-N 302.355 1.902 0 40 DDAB COc1nc(C)ccc1CNC(=O)N[C@H](C)Cn1ccnc1 66149557 JGKGGKOMOOPRTM-GFCCVEGCSA-N 303.366 1.483 0 40 DDAB Cc1cc(C)nc(SCC(=O)NC(=O)c2ccccc2O)n1 4834331 WGKMMFOYQMUVCA-UHFFFAOYSA-N 317.370 1.848 0 40 DDAB C[C@H](C(=O)N1N=CC[C@]1(O)C(F)(F)F)n1cc(Cl)cn1 6852716 QZCXUEAWKQFOAX-MUWHJKNJSA-N 310.663 1.567 0 40 DDAB O=C(CNCc1cc(C(F)(F)F)ccc1F)N1CCOCC1 97035202 ATHVWILKFRZLBZ-UHFFFAOYSA-N 320.286 1.793 0 40 DDAB CCNC(=O)CNC(=O)CSc1ccc2ccccc2n1 7199969 SIINHWHFDCCKIZ-UHFFFAOYSA-N 303.387 1.579 0 40 DDAB COc1ccccc1C(=O)NC(=O)CSc1nncs1 7194686 IDTPBSBMTNNUQB-UHFFFAOYSA-N 309.372 1.595 0 40 DDAB C[C@@H](O)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97083395 YHFBOXNNACEBTR-SKDRFNHKSA-N 303.280 1.986 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3CCOC(C)(C)C3)cnc12 71843104 QCXYCINPKPXPCW-UHFFFAOYSA-N 315.373 1.342 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)n1 71876735 ZDPBUPJGBLBHNZ-CYBMUJFWSA-N 319.409 1.946 0 40 DDAB Cc1cc2n(n1)C[C@@H](CN[C@@H](c1nccn1C)C(C)C)CN2 69348579 ICMHSPZKDYICOP-UKRRQHHQSA-N 302.426 1.954 0 40 DDAB CCN(CC)C(=O)CNC(=O)N[C@H]1C[C@H]1c1ccccc1OC 69414482 OCYMISBSCXLEJU-KBPBESRZSA-N 319.405 1.719 0 40 DDAB Cc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 69529002 VLNZURLGOARRTK-DGCLKSJQSA-N 306.366 1.383 0 40 DDAB Cc1cnc(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)cn1 69507830 DWVOSFIXJFSYGR-CQSZACIVSA-N 302.359 1.814 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1C 69601944 ZWBKLXNZYGYYNL-CYBMUJFWSA-N 312.435 1.718 0 40 DDAB Cc1cccc2[nH]cc(CC(=O)NCCCNS(C)(=O)=O)c12 69896446 JHNIOKXISNVZGV-UHFFFAOYSA-N 323.418 1.074 0 40 DDAB CC[C@@H]1CN(c2nn3cc(C)nc3s2)CCN1CCOC 69849555 AYBFIFGBLOQVNO-GFCCVEGCSA-N 309.439 1.646 0 40 DDAB C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)CN1CCCC1 69896703 JDTKSKRRPQEXDW-ZDUSSCGKSA-N 314.393 1.124 0 40 DDAB COc1c2c(c(CNC(=O)C(C)C)c3c1OCO3)CCN(C)C2 8765219 QSJQROLPHRHOAF-UHFFFAOYSA-N 320.389 1.684 0 40 DDAB biogenic C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCOC[C@@H]1CCCO1 95398121 GWCDWYACFPDDLE-OAGGEKHMSA-N 310.438 1.657 0 40 DDAB CCOC[C@@H](O)CN1CCN([C@@H](C)c2ccccc2OC)CC1 95396838 FGRPGGYSDNDAOB-HOTGVXAUSA-N 322.449 1.771 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 95424101 YRTRKRIRCSHARC-NSHDSACASA-N 317.320 1.948 0 40 DDAB C[C@@H](NC(=O)NCCC(=O)N1CCCC[C@H]1C)c1cnn(C)c1 95404557 LEWIAMRVYXIESW-CHWSQXEVSA-N 321.425 1.571 0 40 DDAB COC(=O)[C@H](O)CNC(=O)c1oc2c(C)ccc(C)c2c1C 95452984 VACBLLOPJJYHKX-LLVKDONJSA-N 305.330 1.622 0 40 DDAB CC1(C)CCCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 95961882 OGIKHMLIRYJJRK-UHFFFAOYSA-N 311.469 1.263 0 40 DDAB Cc1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)n(C)n1 95953883 SAIOYPQBWGJXFM-UHFFFAOYSA-N 314.393 1.286 0 40 DDAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(=O)[nH]1 75118819 CNOZDNFVIWPHPE-CQSZACIVSA-N 315.373 1.843 0 40 DDAB c1cnnc(N2CCC[C@@H]2CNCc2nnc(C3CC3)o2)c1 75128966 XVXXGISEMMBMGD-GFCCVEGCSA-N 300.366 1.496 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)c1cc(F)c(F)c(F)c1 89762081 XWTJJUYBCQTVRC-JTQLQIEISA-N 303.280 1.621 0 40 DDAB CC(C)[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(N)=O 89775776 OOYRKILWBKISNI-SNVBAGLBSA-N 324.324 1.902 0 40 DDAB CCCS(=O)(=O)CCN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 89960363 OASIHACFBKNKJA-ZFWWWQNUSA-N 305.484 1.978 0 40 DDAB CCC(=O)N[C@@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 89941754 UWQHDNBNBXMJLR-CYBMUJFWSA-N 314.393 1.466 0 40 DDAB O=C(CCCn1cncn1)N1CCCN(c2nccs2)CC1 64471891 AXGGZEAEGKLXJA-UHFFFAOYSA-N 320.422 1.254 0 40 DDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CNCc2csnn2)on1 548350910 MCVSTMAZSZANOD-JQWIXIFHSA-N 311.386 1.537 0 40 DDAB CN1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32508602 LIALJBVTXUSRQB-RYUDHWBXSA-N 314.407 1.526 0 40 DDAB Cc1csc(NC(=O)Cn2nc3c(cc2=O)CSCC3)n1 71285365 LBJGQLKAHWHJFV-UHFFFAOYSA-N 322.415 1.436 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CC1=O 75893519 FITGLAPMWHHAFX-BXUZGUMPSA-N 312.373 1.705 0 40 DDAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1cccnc1 79480586 JXKCOQUVXBURJQ-UHFFFAOYSA-N 320.312 1.078 0 40 DDAB Cc1cc(C)n(CCCNc2nc(N)nc3c2nc(C)n3C)n1 72240949 CXRGWGBZNMLFRA-UHFFFAOYSA-N 314.397 1.569 0 40 DDAB Cc1noc(C)c1-c1cccc(S(=O)(=O)NCCC(=O)O)c1 568266131 KOIXFVSDDRLKCO-UHFFFAOYSA-N 324.358 1.711 0 40 DDAB Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(CCO)[nH]n2)cn1 72386014 NBNIGVXFEIRFIP-CQSZACIVSA-N 303.366 1.045 0 40 DDAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 218494986 DPYHRDDCUSZRRL-XHSDSOJGSA-N 311.447 1.741 0 40 DDAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)N1CCOCC1 227158932 AFNPOWVOPZCDSH-UHFFFAOYSA-N 315.373 1.889 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1csc(NC(C)=O)n1)CC2 69969509 BBSIEEZICGQZFM-JTQLQIEISA-N 320.422 1.360 0 40 DDAB CNC(=O)c1cc(N)ccc1N1CCN(Cc2ccccc2)CC1 225487214 NPUXNZXRRWHPMA-UHFFFAOYSA-N 324.428 1.951 0 40 DDAB CCOCCCN1CC[C@@H](NC(=O)c2cccn2C)[C@@H](C)C1 195530326 ZHZYNXXOKJSDSE-LSDHHAIUSA-N 307.438 1.892 0 40 DDAB CCOCCN1CCN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1CC 69840679 GQNKEYRLHGXHOX-LSDHHAIUSA-N 313.486 1.722 0 40 DDAB CCc1nc(Cl)c(C)c(N2CCC[C@@H](N3CCNC3=O)C2)n1 80786346 YBPXCHQXVIPLSG-LLVKDONJSA-N 323.828 1.995 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1)C1CC1 237506385 KJXHXJJMQPWOBI-YDHLFZDLSA-N 307.438 1.139 0 40 DDAB CN1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1 96264592 XLZNQAAEJHALJK-UHFFFAOYSA-N 319.430 1.435 0 40 DDAB CCN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 96260396 HEOCPEBHGGTBKG-UHFFFAOYSA-N 316.449 1.804 0 40 DDAB Fc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 96108274 KRBZUNYZKHVZOA-AEFFLSMTSA-N 320.408 1.606 0 40 DDAB CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)[nH]n1 95415390 OOLXDDSEJYVVEO-STQMWFEESA-N 313.423 1.400 0 40 DDAB O=C(c1cc[nH]n1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238435 NIZJWYKXSJRVGE-KRWDZBQOSA-N 310.357 1.679 0 40 DDAB CC1CCC(CN(C)Cc2nc(CS(C)(=O)=O)no2)CC1 96441463 IIOQVJVRIGLQMS-UHFFFAOYSA-N 315.439 1.872 0 40 DDAB CC[C@@H]1CN(C(=O)c2ncc(C)cc2O)C[C@@]2(CCOC2)O1 330024612 AKFYQSOAENNULZ-MLGOLLRUSA-N 306.362 1.506 0 40 DDAB CCc1cnccc1C(=O)N1CCC(N2CCCC2=O)CC1 97231092 YROSNGBHVIUCID-UHFFFAOYSA-N 301.390 1.871 0 40 DDAB Cc1cccn2cc(CCNC(=O)C(F)(F)C3(O)CCC3)nc12 96486858 SHNDREBRBYWSJQ-UHFFFAOYSA-N 323.343 1.852 0 40 DDAB c1cnc(N2CC3(C2)OCC[C@H]3COCc2cccnc2)nc1 247845460 MNUQEZVPZYMGLH-HNNXBMFYSA-N 312.373 1.684 0 40 DDAB CCCS(=O)(=O)N1CC(Cc2nccc3ccn(C)c23)C1 257242664 IDORTQCUUASRJT-UHFFFAOYSA-N 307.419 1.787 0 40 DDAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257201875 AJLIWDZBKHFVLU-CQSZACIVSA-N 310.361 1.680 0 40 DDAB O=C(CCc1ccccc1F)N1CC[C@H](O)[C@]2(CCCO2)C1 257260119 LBJKYRZQDQRPEP-RDJZCZTQSA-N 307.365 1.901 0 40 DDAB CN(C(=O)Cn1nc(C(F)(F)F)n(C)c1=O)c1ccccc1 85470742 CVIJUNYOQRVMAZ-UHFFFAOYSA-N 314.267 1.264 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 257240370 HTDBKOMQNFPFGM-ZDUSSCGKSA-N 312.333 1.203 0 40 DDAB Cc1cc(C(=O)N2CCC[C@]3(CCN3C[C@@H]3CCCO3)C2)no1 585101955 NESDCJOAADSVKG-YOEHRIQHSA-N 319.405 1.843 0 40 DDAB O=C(CNc1cccc(OC2CCCC2)c1)N1CCNC1=O 29943828 JFGVEQJVNPMDNS-UHFFFAOYSA-N 303.362 1.972 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCCC1 72293123 USIOPHJORQTWAE-HUUCEWRRSA-N 305.426 1.706 0 40 DDAB CCN1CCO[C@@H](C(=O)N[C@@H](C)Cc2cccc(OC)c2)C1 73615781 PCNIMVIWXURQST-XJKSGUPXSA-N 306.406 1.463 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC)CC2)c1C 58169285 ASIGCNPYHBFNHJ-UHFFFAOYSA-N 307.394 1.586 0 40 DDAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCNC(=O)CC1 80179891 RNSCCJLFOFQUEZ-BDJLRTHQSA-N 319.380 1.981 0 40 DDAB CCc1cc(N2CCN(c3nccc(OC)n3)CC2)ncn1 603385080 ZZXUBRRGQCNEGP-UHFFFAOYSA-N 300.366 1.164 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)n(C)n1 11651080 BMHLLJXNHMDDDQ-UHFFFAOYSA-N 319.317 1.094 0 40 DDAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1Cc1ccccc1 17053871 BHUIKMWTNASXJE-JKSUJKDBSA-N 316.401 1.551 0 40 DDAB CC(=O)N1CCc2nnc([C@H]3CCCN3CC3CC3)n2CC1 19710723 YEUWLAIBFLHVFJ-CQSZACIVSA-N 303.410 1.230 0 40 DDAB CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930440 QXHDHKWBFYUXME-LBPRGKRZSA-N 324.446 1.975 0 40 DDAB CCc1nnc(S/C(C(=O)O)=C2/C(=O)Nc3ccccc32)[nH]1 7342617 VIFPXVQBNAEXRJ-ZHACJKMWSA-N 316.342 1.907 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cncn3C)C[C@@H]21 643914151 MKALURZGGGRPOB-VNQPRFMTSA-N 312.421 1.557 0 40 DDAB COCCNC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 16695793 NEWPYVNRQIMDCQ-ZDUSSCGKSA-N 317.393 1.023 0 40 DDAB CO[C@H]1COC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 1614936125 XODFYUCLLGJKLE-CQSZACIVSA-N 308.353 1.560 0 40 DDAB O=S(=O)(c1cccs1)N1CC(OC[C@@H]2CCOC2)C1 1565523870 ZERPNPCDMNTXKS-SNVBAGLBSA-N 303.405 1.174 0 40 DDAB CC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1 5143421 ITHJWEFTZAQVKB-UHFFFAOYSA-N 315.308 1.470 0 40 DDAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 13849604 IAMRZWONRRBKRI-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)c1ccncc1)CC2 2055732376 FVKOTKWDGFDMBO-GFCCVEGCSA-N 300.362 1.419 0 40 DDAB CC(C)(C)C(=O)N1CC[C@@H](c2nn(CCN)c3nccnc23)C1 19081026 YYFOBRLYWDSANA-LLVKDONJSA-N 316.409 1.147 0 40 DDAB O=C1CCC(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 19293454 MMNSQVLWAFQLMF-UHFFFAOYSA-N 307.781 1.569 0 40 DDAB O=C(CNC(=O)NCCc1ccc(F)cc1)NCC(F)(F)F 40554988 GNFJKJAVFIBFIP-UHFFFAOYSA-N 321.274 1.346 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCCNc2ncccn2)c1C 40535547 YNJMVRVZPKXOKJ-UHFFFAOYSA-N 301.350 1.466 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cnn(C)c3)c12 20601992 MGKWGVKWFMMOHO-UHFFFAOYSA-N 324.388 1.818 0 40 DDAB OC1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 32758535 XPPDKDNYTBMUDL-AEFFLSMTSA-N 305.418 1.898 0 40 DDAB c1cc(N2CCCCCC2)ncc1CNc1ccc2nnnn2n1 52334315 JAWBHMYVJPNRFE-UHFFFAOYSA-N 324.392 1.907 0 40 DDAB Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 41122272 YLSWQJYHJGXIKW-GFCCVEGCSA-N 307.375 1.946 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C1 41129040 GQCZYHXFRKYJKT-ORAHPGNNSA-N 318.764 1.335 0 40 DDAB Cc1cccc(C(=O)NCc2ccccc2Cn2cncn2)n1 33107542 IMZOJWDHZJRSDM-UHFFFAOYSA-N 307.357 1.960 0 40 DDAB CCC(CC)(CNC(=O)c1ccc2c(c1)OCC(=O)N2)N(C)C 42071815 RSFLXHCQYGATPJ-UHFFFAOYSA-N 319.405 1.868 0 40 DDAB Cc1nn(CC(=O)NCc2ccccn2)c(=O)c2ccccc12 141111 WOWDJMPVLKOORY-UHFFFAOYSA-N 308.341 1.416 0 40 DDAB O=C(COc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 79018904 NUQLWNUIOCGGJV-OAHLLOKOSA-N 304.390 1.246 0 40 DDAB CCOc1c(F)cccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 79823835 SPRCCDVFBJQCGB-OLZOCXBDSA-N 322.380 1.817 0 40 DDAB Cc1ccccc1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C 107060079 IKCOIKLOJXAUEJ-KGLIPLIRSA-N 312.435 1.781 0 40 DDAB COC(=O)CNS(=O)(=O)c1cc(Cl)sc1Cl 35160229 ONSRWDNVASMRDT-UHFFFAOYSA-N 304.176 1.506 0 40 DDAB C[C@H](c1cccnc1)N1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107505579 YENIODIGEGUDNM-IFIJOSMWSA-N 316.405 1.795 0 40 DDAB COc1ccc(CCNC(=O)CNC[C@H]2CCCO2)cc1OC 4400551 GPTOJUBVJNTQAA-CQSZACIVSA-N 322.405 1.131 0 40 DDAB CC(C)CNC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 1784857 VQRUIEVHVXGUQC-UHFFFAOYSA-N 320.418 1.504 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6537101 YAVRKBRPBBRBBO-KKHAAJSZSA-N 306.343 1.308 0 40 DDAB COCCOc1ccc(NC(=O)N[C@H](C)Cn2ccnc2)cn1 57503510 QSEDVDVRBPBNAP-GFCCVEGCSA-N 319.365 1.514 0 40 DDAB Cc1nn2c(=O)cc(COC(=O)c3ccc(F)cc3)nc2s1 8605516 SIUOWCCUBPNVLD-UHFFFAOYSA-N 319.317 1.956 0 40 DDAB CN(C)c1ccc(CNC2=NS(=O)(=O)c3ccccc32)cn1 95349840 PLGFYBFHCNPDGU-UHFFFAOYSA-N 316.386 1.386 0 40 DDAB O=C(O)[C@@H]1CC(=O)N(c2cccc(N3CCCCC3=O)c2)C1 44979119 FWWVXMUBUFDURU-LLVKDONJSA-N 302.330 1.641 0 40 DDAB O=C(CS(=O)(=O)c1ccccc1Cl)NC[C@H]1CCCO1 44946994 PEWPXXRMKCTVGX-SNVBAGLBSA-N 317.794 1.409 0 40 DDAB COc1ccc(Br)cc1CN1CC[C@@H](C(N)=O)C1 48041488 KKBDSOISZJRLHB-SECBINFHSA-N 313.195 1.765 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCCn1cccn1 58381994 NAFSQTAUSIWVGI-CQSZACIVSA-N 315.373 1.962 0 40 DDAB CCOc1cc(CNCCNC[C@@H](C)O)cc(Cl)c1OC 22076066 IPFIZIGQZXDRFK-LLVKDONJSA-N 316.829 1.807 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)NC1CCCC1 10940359 AHHCYNWDZRCFLR-ZBEGNZNMSA-N 319.357 1.817 0 40 DDAB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 100179329 JNJUYMAVYLYJRG-UDVXPWBQSA-N 313.309 1.608 0 40 DDAB CCN1CCC(N(C)S(=O)(=O)c2c(C)noc2C)CC1 29455334 PPHFIOUTPWPHAQ-UHFFFAOYSA-N 301.412 1.396 0 40 DDAB NC(=O)[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 12050861 GZTFKDLARBERQE-MRXNPFEDSA-N 322.320 1.749 0 40 DDAB CN(C)CCCNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12390762 DHESOXUZGRVMPQ-UHFFFAOYSA-N 313.361 1.899 0 40 DDAB CCN1CCN(C(=O)c2cnc3nc(C(C)C)nn3c2C)CC1 54670912 VZLDWZVTRBZGFR-UHFFFAOYSA-N 316.409 1.334 0 40 DDAB NC(=O)CN(CCc1ccco1)Cc1cccc2c1OCO2 48276095 UKHYXHDDXLVDPU-UHFFFAOYSA-N 302.330 1.538 0 40 DDAB Cc1cc(NC(=O)CN2CCN(Cc3ccsc3)CC2)on1 48354773 QOIKBDOGQRGDLV-UHFFFAOYSA-N 320.418 1.801 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 3477562 ZBGKLXRMMOMFET-GJZGRUSLSA-N 322.380 1.875 0 40 DDAB C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(N)=O 3432872 AVUXSVGNAKKFRR-SSDOTTSWSA-N 323.443 1.840 0 40 DDAB COCCNC(=O)CSc1nnc2[nH]c3ccccc3n12 3599116 CZKICWWYFFCFHV-UHFFFAOYSA-N 305.363 1.065 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)cc1OC 89340059 XJNIBCMSCOKFSP-GFCCVEGCSA-N 315.391 1.095 0 40 DDAB Cc1ccc(F)c(C(=O)OCCN2C(=O)NC(C)(C)C2=O)c1N 64184643 PFJKYYSHRBGKQB-UHFFFAOYSA-N 323.324 1.204 0 40 DDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1nccs1 13629501 UTTRXHIFIVCLPR-UHFFFAOYSA-N 316.342 1.175 0 40 DDAB COCCN1CC[C@@H](NC(=O)NCCc2ccc(C)cc2)C1 96413339 ZPKDTHQNFIEFLS-MRXNPFEDSA-N 305.422 1.557 0 40 DDAB Cc1noc2ncc(C(=O)NCCCOC[C@H]3CCCO3)cc12 65417526 IVIOSQCKNISYDV-CYBMUJFWSA-N 319.361 1.847 0 40 DDAB Cc1nc2n(c1C)CCN([C@H](C)C(=O)Nc1nccs1)C2 65478867 RLPXPUXGBUYIHW-LLVKDONJSA-N 305.407 1.799 0 40 DDAB C[C@H](Oc1ccc2c(c1)CCCC2=O)C(=O)N1CCOCC1 65575567 ZVRXOUOUPHAKRW-LBPRGKRZSA-N 303.358 1.832 0 40 DDAB C=CCN(C)[C@H](CC(=O)OC)C(=O)Nc1ccccc1[N+](=O)[O-] 4653649 OHFGITNWDWODHQ-CYBMUJFWSA-N 321.333 1.583 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccnc2N(C)C)c1 71869818 SHGCJXGRUZNZBU-AWEZNQCLSA-N 313.405 1.957 0 40 DDAB CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cn1 66382381 VQEUSRHIHDQDAS-HUUCEWRRSA-N 312.373 1.714 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)NC(=O)N1 5783967 XCMXSKIEAQUORC-CQSZACIVSA-N 301.346 1.173 0 40 DDAB C[C@@H](O)CN1CCC(CNCc2nc(-c3ccoc3)no2)CC1 71871159 ZFETVGLUPJRWGH-GFCCVEGCSA-N 320.393 1.512 0 40 DDAB O=C(NCc1cccnc1)c1cn(Cc2ccc(F)cc2)nn1 67264143 NDLJMKUUPBUIRF-UHFFFAOYSA-N 311.320 1.791 0 40 DDAB CCCOC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1N 71922118 KWWRNEQYIKFTAT-SECBINFHSA-N 310.379 1.994 0 40 DDAB C[C@H]1[C@H](C)CCCN1C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 95962481 UPRFXMREFTYIGC-IPYPFGDCSA-N 307.442 1.853 0 40 DDAB C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](c2ccco2)C1 95941723 ZGDSTOWEMFGLGM-KGLIPLIRSA-N 319.405 1.353 0 40 DDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)F 16949363 MVFZOKVEBOKBMW-RBZYPMLTSA-N 314.288 1.174 0 40 DDAB C[C@@H]1CN(C(=O)NCCNC(=O)CC2CCCCC2)CCO1 72230652 MDHQFYGXZHWDCL-CYBMUJFWSA-N 311.426 1.503 0 40 DDAB COc1ccccc1CCNC(=O)NCCC(=O)N1CCCC1 69421079 JETJBCUUTQHGKG-UHFFFAOYSA-N 319.405 1.549 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(CC[S@](=O)c2ccccc2)C1 69772241 JOTPQIIGEYBBNR-RCDICMHDSA-N 320.458 1.785 0 40 DDAB C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1nnc(-c2ccccc2)s1 97148202 XWYKVIVHGPRPLO-ZJUUUORDSA-N 312.416 1.889 0 40 DDAB O=C(C[C@H]1CCCCO1)Nc1cc2c(=O)[nH]cnc2cc1F 97109422 IEMXNJUCMOMVQO-SECBINFHSA-N 305.309 1.960 0 40 DDAB COCc1nn(Cc2csc(-c3ccccn3)n2)c(=O)o1 89420506 IJOWPQNJPIEDGW-UHFFFAOYSA-N 304.331 1.550 0 40 DDAB CCC[C@@](C)(O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 89949434 IRAMUKTVNGLEKG-CQSZACIVSA-N 318.295 1.710 0 40 DDAB Cc1nccn1-c1ccc(NS(=O)(=O)c2cnn(C)c2)cn1 75584587 HYYQMEUPLDOIEH-UHFFFAOYSA-N 318.362 1.110 0 40 DDAB O=C(N[C@H]1CCSC1)N1CCC[C@@H](CN2CCOCC2)C1 75802453 RVLLINJLZWHCRF-KBPBESRZSA-N 313.467 1.246 0 40 DDAB Cn1cc(CN2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)cn1 306127431 FYNAEOUTOYSLBX-BBWFWOEESA-N 321.421 1.063 0 40 DDAB Cc1noc(C)c1CC(=O)OCC(=O)NCc1cccs1 24267182 RGENFJPMXRKPDD-UHFFFAOYSA-N 308.359 1.755 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)CC1CC1 306132806 LSNDDMSJFRELAL-YUELXQCFSA-N 320.433 1.566 0 40 DDAB N[C@]12CC[C@H]1CN(C(=O)NCc1cccc3c1OCCO3)C2 1553538979 MQJNOLRZCSKPHY-LRDDRELGSA-N 303.362 1.091 0 40 DDAB Cc1cc(C(F)(F)F)c(=O)n(Cc2ncnn2C(C)(C)C)n1 521999961 ACOXTIVVDYJWHU-UHFFFAOYSA-N 315.299 1.965 0 40 DDAB CCOc1cc(-c2ncc(CC(=O)O)c(=O)[nH]2)ccc1OC 217388937 OBJFGQBQKQIKPH-UHFFFAOYSA-N 304.302 1.471 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 72379587 INKGYHPDRWBKBX-KRWDZBQOSA-N 316.401 1.601 0 40 DDAB Cc1cccc(OCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 40498769 ABGYBWVNGMQEPC-ZDUSSCGKSA-N 311.403 1.376 0 40 DDAB CC(C)(C)OC(=O)NCc1ccc(N2CCN(C=O)CC2)nc1 72225585 UKMGPEMLWWPHCH-UHFFFAOYSA-N 320.393 1.385 0 40 DDAB COc1nc(C)nc(N2CCO[C@@H](c3cnn(C)c3)C2)c1C 195567344 DOXYDXLXECTHQO-CYBMUJFWSA-N 303.366 1.413 0 40 DDAB O=C(Nc1ccc2[nH]nnc2c1)c1cc(N2CCCC2)ncn1 225537419 BDFLIXBEBXZTEV-UHFFFAOYSA-N 309.333 1.600 0 40 DDAB C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(O)cc1 69163632 BZAVACDXVIMGAQ-GFCCVEGCSA-N 311.403 1.957 0 40 DDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)C1(c3ccccc3)CC1)CC2 225789044 OPAQBNRMYSEJDX-HNNXBMFYSA-N 323.396 1.486 0 40 DDAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(-n3cccn3)nc1)CN2 69385821 AWFJFYANFXNFKC-HNNXBMFYSA-N 323.404 1.604 0 40 DDAB COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(Cl)c1F 225483247 IGLXNMWQFPXGIF-DGCLKSJQSA-N 301.745 1.977 0 40 DDAB CCN(CC)C(=O)CCNC(=O)N[C@H](C)c1c(C)nn(C)c1C 69583176 IRAVAYAXEMNJER-LLVKDONJSA-N 323.441 1.656 0 40 DDAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2cncnc2C1 69587647 DULJXBOPVIGFFA-JTQLQIEISA-N 317.780 1.910 0 40 DDAB CCOCCN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 69655629 YFWUYNICDAXTLO-HNNXBMFYSA-N 309.385 1.006 0 40 DDAB CCc1nc(C)c(CN2CCCC[C@@H]2C(=O)N2CCOCC2)o1 572221923 MEKNDBXTIGMCAN-CQSZACIVSA-N 321.421 1.759 0 40 DDAB C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NC2CC2)C1=O 47359494 LSPAOSHFCIELAZ-HNNXBMFYSA-N 323.299 1.010 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1OC 225788833 VWPFUVUHGKNBBZ-UNJBNNCHSA-N 319.313 1.297 0 40 DDAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 223295900 IZDUDPMCWAWUPO-UHFFFAOYSA-N 324.333 1.491 0 40 DDAB CN(C(=O)Cc1cc(F)c(F)cc1F)C1(C(N)=O)CCCC1 195553035 KRDNKJFXVRPITP-UHFFFAOYSA-N 314.307 1.903 0 40 DDAB CN(CC1CCN(CCO)CC1)C[C@H](O)c1ccc(F)cc1 69950520 LCNBISBKUNEZNM-KRWDZBQOSA-N 310.413 1.495 0 40 DDAB COc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2C[C@@H]2CCCO2)cc1 49466646 XZKFTDREKPHAIA-OFQRWUPVSA-N 319.357 1.848 0 40 DDAB CN(C(=O)N[C@]1(C)CCS(=O)(=O)C1)c1ccc(F)cc1 190455511 CZSIZTYFMIPWHI-CYBMUJFWSA-N 300.355 1.549 0 40 DDAB CCc1noc(C)c1C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 330718325 AJEDTLKDOZVOOX-WPRPVWTQSA-N 302.396 1.439 0 40 DDAB CN(CCOc1cccc(F)c1)C(=O)C[C@H]1CSCCN1 91136516 GZNPVHOKJHXEGB-ZDUSSCGKSA-N 312.410 1.758 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(Cc4ccncc4)C3)C2=O)cn1 96050532 JUSZUPAFOSZPHQ-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB Cc1occc1C(=O)N1Cc2nccn2C[C@H](CN(C)C)C1 96188223 GCRBQGWZUBWPRH-ZDUSSCGKSA-N 302.378 1.618 0 40 DDAB CC(C)C[C@@]1(C)CC(=O)N(CC(=O)NCC(F)(F)F)C1=O 96419536 FMXNRLBYCQQAIC-LBPRGKRZSA-N 308.300 1.476 0 40 DDAB Cc1occc1C(=O)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 96183298 JMDZVGXNSQZVTL-LSDHHAIUSA-N 304.390 1.913 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CN(C(=O)[C@H]1CCCO1)CC2 96253845 ZPJIVRMKFYANQO-OAHLLOKOSA-N 316.405 1.449 0 40 DDAB C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)n1cccn1 333019386 DCPXUAXDZZJPLS-ZNMIVQPWSA-N 318.421 1.742 0 40 DDAB O=S(=O)(C1CC1)N1CC2(CCN(Cc3ccncc3)C2)C1 96046431 PTMWEWDXJVFFFB-UHFFFAOYSA-N 307.419 1.082 0 40 DDAB CCOCC(=O)N1CC[C@H]2OCC[C@@H](c3nnc(C)o3)[C@H]2C1 96066417 PZRXUIOGKGABBA-JHJVBQTASA-N 309.366 1.136 0 40 DDAB Cc1cccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)n1 248157353 ZQZVEFVKZAZYMR-MSOLQXFVSA-N 319.449 1.702 0 40 DDAB CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 247971548 YROQTZNFDVQONI-CYBMUJFWSA-N 304.375 1.164 0 40 DDAB O=C(c1cocn1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247805890 AZVMHLKMYYASHL-GFCCVEGCSA-N 317.370 1.849 0 40 DDAB Nc1n[nH]c2nc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)ccc12 257328663 XGPVTEQSANDSBV-VIFPVBQESA-N 311.349 1.283 0 40 DDAB O=C(c1sc2ncccc2c1[C@H]1CCNC1)N1CCOCC1 257286963 PNVGPOUGZJBNRP-NSHDSACASA-N 317.414 1.846 0 40 DDAB COc1ccccc1[C@@H]1CN(Cc2nccn2C)CCN1C 257216082 CTADPHGNNSLEPE-HNNXBMFYSA-N 300.406 1.917 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2c(C)noc2C)n1 257223912 DZMBFVLHQVPNRH-ZDUSSCGKSA-N 304.350 1.466 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnccn2)C1 257234197 GSNMEAZOWXMLTH-LBPRGKRZSA-N 312.377 1.403 0 40 DDAB COCCN1CC[C@@H](Cc2cncc(-c3cc(C)n[nH]3)n2)C1 257330881 XQJVXDANTYLDQU-ZDUSSCGKSA-N 301.394 1.686 0 40 DDAB CS(=O)(=O)[C@@H]1[C@H](CN)[C@H]1c1ccc(Br)cc1 252514990 FRHZTYZFDHVSDF-GMTAPVOTSA-N 304.209 1.534 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cscn2)n1 257253952 KAZUKTNSQNEINF-LBPRGKRZSA-N 305.407 1.857 0 40 DDAB O=C(c1cnccn1)N1CC2(CO[C@H](Cc3ccccc3)C2)C1 257199687 AAMFRAXJVLVTFH-OAHLLOKOSA-N 309.369 1.950 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cc(C(N)=O)ncn2)C1 585180121 BJDPQNNJNRNXRZ-NSHDSACASA-N 304.394 1.403 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)[C@@H]1C[C@H]1C)CC2 585096502 RAUYHYYFFQKGTP-GRYCIOLGSA-N 304.394 1.581 0 40 DDAB Cc1cnc(CNC(=O)Nc2ccc3c(c2)OCCO3)nc1 585140265 BEMVQRQUDJTHHX-UHFFFAOYSA-N 300.318 1.878 0 40 DDAB C[C@H](NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C1CC1 29860216 GKIYZNSBPHDBOV-LBPRGKRZSA-N 301.390 1.849 0 40 DDAB NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CC1(C(=O)O)CCC1 682701214 DQDVTOPIJLUDQM-AWEZNQCLSA-N 316.357 1.243 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc2c1OCCO2 55685609 VAHRDGHODQECCP-UHFFFAOYSA-N 310.331 1.863 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005308 JVANRHZJBBJSJZ-ZDUSSCGKSA-N 316.467 1.886 0 40 DDAB CC[C@H](C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C 369421 RIAJOUMVELZYAY-YFKPBYRVSA-N 301.144 1.157 0 40 DDAB CSc1ncc(Br)c(=NC[C@@H]2CCCO2)[nH]1 1889077165 IPBCOHJSYPMRHT-ZETCQYMHSA-N 304.213 1.974 0 40 DDAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(CC(N)=O)C2)n1 1615526193 PRNYFXITPHHNPN-JTQLQIEISA-N 318.406 1.260 0 40 DDAB Cc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1 5156209 DTVDPKUKGAMLRK-VIYDEIPASA-N 301.411 1.969 0 40 DDAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCCCCC1 5459508 MJXIVDYYRCDECE-UHFFFAOYSA-N 301.350 1.444 0 40 DDAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 12321062 DLUVNOCBWSPQLP-CQSZACIVSA-N 321.764 1.721 0 40 DDAB COc1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 13479658 DEVCHMZFLMYXLF-QLFBSQMISA-N 317.389 1.423 0 40 DDAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 16610246 CPIJLMAOBANOHR-NSHDSACASA-N 316.398 1.751 0 40 DDAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCCCO 19937571 YTOABQQWIQJXGS-UHFFFAOYSA-N 321.764 1.131 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc2ccccc12 169684108 MAZNKLATDRBDTB-RCJHGTSTSA-N 321.332 1.645 0 40 DDAB COc1ccc2sc(N3CC[C@]4(C3)NC(=O)NC4=O)nc2c1 1888865605 CKACFTUOZFJWPZ-CQSZACIVSA-N 318.358 1.093 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 1889130316 HIABFPVTLXSLKL-CQSZACIVSA-N 312.410 1.872 0 40 DDAB COC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCS1 23640405 APGNEAWQEZXPKC-GFCCVEGCSA-N 319.386 1.014 0 40 DDAB CNC(=S)N1CCN(c2ccc(Br)cn2)CC1 24527441 WLCXSJNOWHBITG-UHFFFAOYSA-N 315.240 1.470 0 40 DDAB CCCc1nnsc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 238868464 MHZGNAVDAXYHAD-ADEWGFFLSA-N 311.407 1.557 0 40 DDAB CC(C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl 29652283 QXHGZSZFSZRQPJ-UHFFFAOYSA-N 304.799 1.763 0 40 DDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)C3CCC3)[C@@H]2CN1 2037984126 RFVRPFHBTQXAKC-BFYDXBDKSA-N 314.385 1.296 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 53202921 XHSOHWNKSUQZRA-JTQLQIEISA-N 306.790 1.852 0 40 DDAB O=C1CC(C(=O)N2CC3(C[C@@H](NC4CCC4)CS3)C2)=CC=N1 2056223331 GKZLQYHYODVLNU-CYBMUJFWSA-N 319.430 1.143 0 40 DDAB COCCN1CCC[C@@]12CCCN(C(=O)c1cc[nH]n1)CC2 1565545144 WDZDISHMUDJBLL-MRXNPFEDSA-N 306.410 1.517 0 40 DDAB CC(C)(C)c1nnc(Nc2ccc3c(c2)OCO3)n(N)c1=O 54516 OMWGMBIFMJUVLE-UHFFFAOYSA-N 303.322 1.122 0 40 DDAB CSc1nnc(C)c(=O)n1COC(=O)c1cccc(F)c1 4495781 HHGGNGVFKUSPOZ-UHFFFAOYSA-N 309.322 1.622 0 40 DDAB COC(=O)C1=NO[C@H](c2cc(OC)c3c(c2OC)OCO3)[C@H]1C 15085695 MWHNPDBQKKBMQH-CPCISQLKSA-N 323.301 1.669 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055771627 NHURYRWPGLFSFB-LBPRGKRZSA-N 304.394 1.112 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2=CCCC2)CC1 2055772746 XCVWAMFXTKLHBH-UHFFFAOYSA-N 316.405 1.399 0 40 DDAB COC(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1 43956694 XNRZNWZGWVEGMH-UHFFFAOYSA-N 318.420 1.505 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc2nc(O)[nH]c2c1 585149810 OFXPZRXRQVEZCX-JOYOIKCWSA-N 316.361 1.615 0 40 DDAB Cc1cc(NC(=O)C(=O)NCC[C@@H](O)c2ccccc2)no1 81254327 HIRRENUPJDOHRK-GFCCVEGCSA-N 303.318 1.161 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c1 40505485 GKFSNRXSDCDRFS-SRVKXCTJSA-N 307.394 1.445 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCc2ccco2)C1 40515923 ZCVYXRFEPKNTIO-GFCCVEGCSA-N 314.407 1.000 0 40 DDAB CN1[C@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCc3c1cnn3C)CC2 101385515 HEGKHOAGEAZKDR-YDHLFZDLSA-N 317.437 1.676 0 40 DDAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nccs2)CC1 32881921 KOUHFGOWROLOKY-UHFFFAOYSA-N 313.386 1.982 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)NCCc1cccc2cccnc12 32901494 YVTBVKQOKFHDAK-AWEZNQCLSA-N 314.389 1.586 0 40 DDAB CCOc1ccc([C@@H]2CCCN2C(=O)CN(C)CC(N)=O)cc1 52831777 HHRBWFSOQFZLRV-HNNXBMFYSA-N 319.405 1.166 0 40 DDAB O=C(O)C[C@H](c1ccco1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 103000458 YIBHBFPEZQVAFY-XXBVRILMSA-N 303.314 1.827 0 40 DDAB Cc1cnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 103465051 ZYONOBIFWZONOV-HBNTYKKESA-N 319.386 1.730 0 40 DDAB Cc1cc(CN2CCN(CC(=O)Nc3ccccc3)CC2)no1 22798696 FLEVQTJYGGLPOV-UHFFFAOYSA-N 314.389 1.739 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C1 53895304 QNPFEPYONCVMGG-LLVKDONJSA-N 310.781 1.833 0 40 DDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)s1 23243178 JIXQVIFQYLNAEA-UHFFFAOYSA-N 324.855 1.402 0 40 DDAB CCCNC(=O)CN(C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 54583923 WSPUREALKRXNIW-GFCCVEGCSA-N 321.352 1.236 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 28326651 NODCWAOJWSYJKS-PWSUYJOCSA-N 313.375 1.304 0 40 DDAB CCOC(=O)c1ccoc1Cn1nnn(-c2cccs2)c1=O 10813536 HODUQWBAHDMJLL-UHFFFAOYSA-N 320.330 1.309 0 40 DDAB CCNC(=O)COc1cccc(NC(=O)N2CCOCC2)c1 31086919 YCUVXTXZMWWUQA-UHFFFAOYSA-N 307.350 1.066 0 40 DDAB O=C1CN(C(=O)CCNC(=O)c2ccccc2)c2ccccc2N1 15912409 GAYRAZJHXZUMRL-UHFFFAOYSA-N 323.352 1.792 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 40457470 MZASHQLSEMJMAR-UHFFFAOYSA-N 320.320 1.864 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)cs1 6681623 XUCNMTPYARHYOW-UHFFFAOYSA-N 324.427 1.976 0 40 DDAB CCc1nc(CC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OC)cs1 101177209 DKRIGCREJPMUSM-FCIDVOKBSA-N 322.430 1.952 0 40 DDAB CCNC(=O)N1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 68239349 XSFTTWKCSPOJIS-CQSZACIVSA-N 305.378 1.248 0 40 DDAB NC(=O)[C@@H]1CC(C(=O)NCc2ccoc2)=NN1c1ccccc1 45835902 DXUVPJIWOCJRDL-AWEZNQCLSA-N 312.329 1.016 0 40 DDAB O=c1cc(CO)oc(CN2CCCC[C@H]2c2cccnc2)c1O 20759544 QEWDBSYNKIMLOR-AWEZNQCLSA-N 316.357 1.960 0 40 DDAB biogenic CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@H]1C 16049899 PIXNOUSBWULYTD-LURJTMIESA-N 314.392 1.149 0 40 DDAB CN(C)c1ccc(NC(=O)NCC(C)(C)N2CCOCC2)cn1 69419010 HDFUOIZNCJCXSM-UHFFFAOYSA-N 321.425 1.380 0 40 DDAB CC(=O)NCCCC(=O)NC[C@H](C)N1CCc2sccc2C1 46243860 RBLVSDGFSZSBAU-LBPRGKRZSA-N 323.462 1.527 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)OCO2 32819512 JAYGHVCOSSAYNP-AWEZNQCLSA-N 324.336 1.468 0 40 DDAB COCCO[C@H]1CCN(c2ncccn2)[C@H]1Cc1cccnc1 107217197 LTBJCQXAAFALDA-HOTGVXAUSA-N 314.389 1.725 0 40 DDAB CS[C@H](C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 47187115 ORXWDLPNRPXCHT-NWDGAFQWSA-N 309.435 1.674 0 40 DDAB O=C(NCCNc1ccccn1)NC[C@@H]1Cc2ccccc2O1 47500352 SONAGWDAMRVZDU-AWEZNQCLSA-N 312.373 1.796 0 40 DDAB O=C1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CCN1 54258536 LCBGBCBDUICWTM-INIZCTEOSA-N 301.390 1.172 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@@]2(CCCN(c3nncs3)C2)C1 107784280 LDJCZBBKUUCUDK-WFASDCNBSA-N 322.434 1.394 0 40 DDAB Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)n2ncnc2n1 23619331 WKEPPLDNJJBGIP-STQMWFEESA-N 304.398 1.344 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@@H]1c1cccc(F)c1 56127640 FCHJORPMVKWERI-CQSZACIVSA-N 314.382 1.540 0 40 DDAB COc1cc(C=O)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 3226968 KCWFKIVAGMGATB-VXGBXAGGSA-N 307.346 1.522 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NC[C@H]3CCOC3)C2)n[nH]1 107324080 YLZKXLWCNFVGMS-KGLIPLIRSA-N 306.410 1.050 0 40 DDAB COc1cc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccn1 57004257 MNDLJGDYIHRITI-GOEBONIOSA-N 313.357 1.548 0 40 DDAB CCN1C[C@H](C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1=O 48174501 MRZFBBXIHLGDGB-LSDHHAIUSA-N 315.417 1.498 0 40 DDAB CN1N=C(C(=O)Nc2nccn2Cc2ccccc2)CCC1=O 58141433 CUWDVMFOOZAGMB-UHFFFAOYSA-N 311.345 1.478 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)NCCc1cccs1 58277357 VNMCKKBAVCIZSC-UHFFFAOYSA-N 314.370 1.212 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1cc[nH]n1 58264598 FFNCITJODMXNIF-LBPRGKRZSA-N 308.382 1.816 0 40 DDAB O=C(NCCCNc1cc(=O)oc2ccccc12)c1cnccn1 10313702 NJGYOSRVQREMKB-UHFFFAOYSA-N 324.340 1.815 0 40 DDAB Sc1nnc(-c2ccncc2)n1CCCN1CCOCC1 10312598 PKOYJQFIVCASSJ-UHFFFAOYSA-N 305.407 1.351 0 40 DDAB COC(=O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1 48235303 WUJUHCSBMLNDBT-UHFFFAOYSA-N 313.737 1.364 0 40 DDAB C[C@@]1(NC(=O)c2cc(Cl)ccc2F)CCS(=O)(=O)C1 12894560 VHHWDBQSXBPLQL-GFCCVEGCSA-N 305.758 1.786 0 40 DDAB CN(C)C(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 12982262 KOIZHOHPDMTELO-UHFFFAOYSA-N 313.357 1.606 0 40 DDAB CN(C(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1)C1CC1 63920079 RWRLUYCNFFWTCX-UHFFFAOYSA-N 300.314 1.306 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCCC[C@H]1C1OCCO1 69569239 RLECBUHCOZNLRB-AWEZNQCLSA-N 308.378 1.465 0 40 DDAB OCCn1ncc2c(NCCc3c[nH]c4ccccc34)ncnc21 65535387 SXPQABLNAOFBSL-UHFFFAOYSA-N 322.372 1.955 0 40 DDAB C[C@@H]1CCCCN1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 14162939 CGPASWRIINSNKM-DOMZBBRYSA-N 317.389 1.140 0 40 DDAB C[C@@H](NC(=O)CCC(=O)NC[C@H]1CCCO1)c1ccccc1 4599320 HAYDJLJKSIYLQX-UKRRQHHQSA-N 304.390 1.939 0 40 DDAB CCc1cc(NCc2ccc(NC(N)=O)cc2)n2ncnc2n1 65624026 NSIAETQJFAWHFR-UHFFFAOYSA-N 311.349 1.789 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]3CCCC[C@@H]32)C1 65604652 TXUISLHKMVLZTK-ZACQAIPSSA-N 321.465 1.768 0 40 DDAB O=C(O)[C@H]1C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 5428604 ASKYUNKQJIMTOK-ZJUUUORDSA-N 303.236 1.922 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccccc1OC 69568660 FEZSGRBQKKVLFJ-CYBMUJFWSA-N 322.430 1.965 0 40 DDAB CC(C)OCCN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 69516892 BUHLEJVWFKHPBF-GFCCVEGCSA-N 300.424 1.752 0 40 DDAB CC(C)C(=O)N1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 69584750 OPHCCXPNZCVMKG-HOTGVXAUSA-N 323.481 1.966 0 40 DDAB Cc1cc(C)n(-c2cncc(N3CCC(n4cncn4)CC3)n2)n1 78987966 QNEWBBLZZSGBSK-UHFFFAOYSA-N 324.392 1.712 0 40 DDAB O=c1cc(CN2CCC[C@H](Cn3cncn3)C2)nc2ccccn12 69662652 JBHNFTPPZNNTSP-AWEZNQCLSA-N 324.388 1.198 0 40 DDAB CC1CCN(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 69657608 MKMCDRIPUQOWFR-CQSZACIVSA-N 315.483 1.570 0 40 DDAB NC(=O)[C@@H](CNC(=O)NCc1ccco1)Cc1ccc(F)cc1 66457022 YZRSWGLCRLABTC-GFCCVEGCSA-N 319.336 1.562 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NCc1ccccc1CO 69817000 DMSOVAQPOITKNQ-UHFFFAOYSA-N 312.369 1.996 0 40 DDAB C[C@@H](c1ccccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1 69814912 QXUCZSHZWZOIQQ-NWDGAFQWSA-N 315.414 1.392 0 40 DDAB C[C@H]1CN(CCn2cncn2)CCN1C[C@H](O)c1ccccc1 69870266 NLIDCCHSOCLTSQ-RDJZCZTQSA-N 315.421 1.018 0 40 DDAB CCOc1nnc(CN[C@H]2CCc3nc(CC)nn3C2)s1 69873375 AZJIOMRXODLVNF-VIFPVBQESA-N 308.411 1.195 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCCCCC2)cc1 19169547 LBABJYIIPXGHAT-UHFFFAOYSA-N 310.419 1.669 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)n[nH]1)C2 71860147 HFNLQDKHSHSRPV-UHFFFAOYSA-N 324.344 1.700 0 40 DDAB COCCN[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 19315609 CNMOUKUGUBBIDA-SECBINFHSA-N 315.584 1.942 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(Cc3ccco3)CC2)n1 71828055 GXFSLEQMDKGNQW-OAHLLOKOSA-N 316.405 1.998 0 40 DDAB Cc1cnn(C[C@H](C)NCc2cc(=O)n3c(C)csc3n2)c1 71872156 RPFNYGSJYMSVDH-NSHDSACASA-N 317.418 1.748 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c(C)n1-c1cccnc1 71821046 QTWBVBRLSVXRJU-ZDUSSCGKSA-N 312.373 1.437 0 40 DDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)ccc1O 19962513 LIUGCFGVAQSTOG-JTQLQIEISA-N 302.290 1.284 0 40 DDAB CCN1N=C(C(=O)NCc2ccccc2N2CCCC2)CC1=O 71911654 QECDPRPMUFXIKW-UHFFFAOYSA-N 314.389 1.511 0 40 DDAB Cc1ccccc1NC(=O)CCn1ccnc1S(C)(=O)=O 89690539 WWEYIUYEKUKLRT-UHFFFAOYSA-N 307.375 1.624 0 40 DDAB CC[C@@H]1CCCCN1C(=O)COC(=O)CCc1ccc(N)nc1 89948285 QSQXKNTZTQOVKA-CQSZACIVSA-N 319.405 1.931 0 40 DDAB CSCCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 72271179 XHETWBOSUMBBID-UHFFFAOYSA-N 321.490 1.803 0 40 DDAB O=C(NCCOc1ccc(F)c(F)c1)NC[C@@H]1CCOC1 72270180 YJJPEJPYZAVEQR-JTQLQIEISA-N 300.305 1.679 0 40 DDAB COCc1nn(Cc2ccc(C(=O)N3CCCC3)cc2)c(=O)o1 97014738 ZWIRGUURXIECEM-UHFFFAOYSA-N 317.345 1.267 0 40 DDAB Cn1ncnc1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 97142561 UPZBZPHJPDKONK-OLZOCXBDSA-N 301.350 1.857 0 40 DDAB O=C(CNC(=O)c1cnccn1)NCCc1c[nH]c2ccccc12 72326081 LPLISNAKRUREFY-UHFFFAOYSA-N 323.356 1.047 0 40 DDAB biogenic CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 97372226 OGVXUYDURMZDAP-YESZJQIVSA-N 315.417 1.149 0 40 DDAB COc1cccc(NC(=O)NCCc2nnc3n2CCC3)c1 76092131 HTROMFJBYCERNG-UHFFFAOYSA-N 301.350 1.597 0 40 DDAB CN(CC1CC1)C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 76581974 FBYFSNKNZVKPLS-UHFFFAOYSA-N 308.403 1.305 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)O 95471356 WPEAKTAHSBZMQO-ZJUUUORDSA-N 300.355 1.223 0 40 DDAB C[C@H](NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 95420616 UOSHNPVXSZAFKZ-UPJWGTAASA-N 316.423 1.369 0 40 DDAB CO[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 95400512 RTCSKMMPNZTSIJ-SJORKVTESA-N 318.417 1.525 0 40 DDAB Cc1cc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)n(C)n1 73170365 IARLGHHWGAFRAW-UHFFFAOYSA-N 320.736 1.929 0 40 DDAB CO[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 78880796 AAGRIODSHVGXTR-QWHCGFSZSA-N 314.407 1.772 0 40 DDAB Cn1ncc(C(=O)Nc2nc(-c3ccoc3)n[nH]2)c1-n1cccc1 79023024 XLOBPJPEHDBMDR-UHFFFAOYSA-N 323.316 1.841 0 40 DDAB Cc1nccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 79816845 JOQXODSDCWWKHZ-OLZOCXBDSA-N 307.419 1.912 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)CN(C)[C@H]2C=CCCC2)C1 66497840 YGFOVBVYRQVWLC-GJZGRUSLSA-N 308.422 1.829 0 40 DDAB CCOc1ccccc1N1C(=O)C[C@H](N2CCOCC2)C1=O 36634103 NGGDXEHXYAUCTK-ZDUSSCGKSA-N 304.346 1.049 0 40 DDAB O=C(O)C[C@@H]1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 218711075 UWZHVUOHDYPLMH-QMMMGPOBSA-N 318.207 1.485 0 40 DDAB CC(C)NC(=O)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 77266370 CXXQTMMEWRWZAS-CQSZACIVSA-N 308.426 1.859 0 40 DDAB biogenic,in-vitro Cc1noc(CCCNC(=O)C(=O)Nc2cc(F)ccc2F)n1 77837449 LQEPXFHEDNBOBP-UHFFFAOYSA-N 324.287 1.344 0 40 DDAB CNC(=O)[C@H]1CCCN1Cc1nc(Cc2ccccc2)no1 79071284 VFCKHXKKCXIYPA-CYBMUJFWSA-N 300.362 1.371 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C 73743082 MHQOESQNTIUZOP-CYBMUJFWSA-N 307.369 1.673 0 40 DDAB CC(=O)NCCNC(=O)CCCOc1cccc(C(C)=O)c1 58943925 IDJJBBDNWXTUDZ-UHFFFAOYSA-N 306.362 1.301 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(O)=Nc2nncn21 44893390 GVYAEISSLUVJEJ-QMMMGPOBSA-N 301.262 1.178 0 40 DDAB CCc1cnc(N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)nc1 96200901 CXQAGLWBKBSTAT-CVEARBPZSA-N 314.437 1.524 0 40 DDAB CCOCCCN1CC[C@H](NC(=O)c2cccn2C)[C@@H](C)C1 195530327 ZHZYNXXOKJSDSE-GJZGRUSLSA-N 307.438 1.892 0 40 DDAB CC(C)CC(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 96259398 IWCAJHMOVWNBAX-UHFFFAOYSA-N 318.421 1.784 0 40 DDAB CCN(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 96850524 PVGHQKCMTFEVPJ-UHFFFAOYSA-N 307.394 1.031 0 40 DDAB O=C1NCCN(CC2CC2)C12CCN(Cc1ccncc1)CC2 96230193 HMXGBKUGHKFOSV-UHFFFAOYSA-N 314.433 1.258 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@@H](N)c1ccc(Cl)cc1Cl 96525266 LKOUWGFEAMZWMM-QWRGUYRKSA-N 312.218 1.789 0 40 DDAB O=C1CCC2(CCN(S(=O)(=O)C3CC3)CC2)N1CC1CC1 96228119 OJHDIEXOMMBLDN-UHFFFAOYSA-N 312.435 1.346 0 40 DDAB COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccc(C)o3)CC[C@H]12 96041103 RGEDOBVTSQYXAN-FVQBIDKESA-N 306.406 1.809 0 40 DDAB COC[C@H]1CCC2(CCN(S(C)(=O)=O)CC2)N1CC1CC1 96208691 UXLRKJRMJVLSCU-CQSZACIVSA-N 316.467 1.301 0 40 DDAB CCN(C)c1ncnc2c1CCN(CCN1CCCC1)CC2 96255812 KLUSHLDFKQJAEX-UHFFFAOYSA-N 303.454 1.429 0 40 DDAB C[C@@H](NCc1cncn1C)c1ccc(S(=O)(=O)N(C)C)cc1 237364507 AXZRCGLCCUNQMN-GFCCVEGCSA-N 322.434 1.521 0 40 DDAB CCCN1CCN(C(=O)c2cccc(-c3n[nH]c(C)n3)c2)CC1 96446783 WHLPFRIDALQJIS-UHFFFAOYSA-N 313.405 1.948 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccs1 96056470 FNFUBCRFPFWZLA-HUUCEWRRSA-N 307.463 1.875 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc3c(c1)OCCO3)C2 97199022 DJMRYGXWLFRBAQ-CYBMUJFWSA-N 313.357 1.708 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN1CCCC1 96065793 ZXHIVKITNCXKFA-RRFJBIMHSA-N 311.426 1.012 0 40 DDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 245287210 BLOOAOZHUDWTKH-MQYQWHSLSA-N 314.451 1.353 0 40 DDAB CC(C)NC(=O)[C@H]1CN(Cc2ccco2)Cc2ncn(C)c21 248011634 DZVSQDSCBCTTMX-ZDUSSCGKSA-N 302.378 1.637 0 40 DDAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 257310376 UEVPAYJNNQXNSF-ZDUSSCGKSA-N 324.388 1.869 0 40 DDAB CCn1nccc1-c1cncc([C@H]2CCCN2S(C)(=O)=O)n1 257335819 YMAGNFPLHHGLDP-CQSZACIVSA-N 321.406 1.457 0 40 DDAB COCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1OC 257213634 CILDCMCRUPQSOM-OAHLLOKOSA-N 320.389 1.464 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)c1ccnn1C 257321163 WAIZJTSSMCABHO-CQSZACIVSA-N 300.362 1.215 0 40 DDAB CN1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)C1 257312980 UQMIGZUITMKJRW-LBPRGKRZSA-N 315.339 1.554 0 40 DDAB COc1cc(CCC(=O)N2CC[C@H](c3nccc(C)n3)C2)on1 257204407 AUKLGLNMNLSROJ-LBPRGKRZSA-N 316.361 1.730 0 40 DDAB CCCc1cc(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)no1 257255548 KHWZMYQEEBHBHS-AWEZNQCLSA-N 318.377 1.883 0 40 DDAB COCC[C@@](C)(O)CNC(=O)C1(c2ccccc2OC)CC1 266601372 ZKHGXJLDYBWKLN-MRXNPFEDSA-N 307.390 1.631 0 40 DDAB CCS(=O)(=O)c1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 276296673 KTLNPDRSUCXLQL-UHFFFAOYSA-N 324.446 1.785 0 40 DDAB COc1cccc(C(=O)NCC(=O)N2CC[C@H](OC)C[C@H]2C)c1 281718798 IKGKTYLHHDYIAC-DOMZBBRYSA-N 320.389 1.451 0 40 DDAB CC[C@@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)N(C)Cc1ccccc1 390835196 GKGZVVFENYTIJA-CABCVRRESA-N 318.421 1.166 0 40 DDAB O=C(O)[C@H]1C[C@@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1 396140510 WNGMZRXPKZWTMN-TXEJJXNPSA-N 307.302 1.431 0 40 DDAB Cc1nc(NC(=S)NC[C@H]2CCS(=O)(=O)C2)sc1C 575423744 QYCDNFQWNSZMLU-SECBINFHSA-N 319.477 1.481 0 40 DDAB C=CC(=O)N1CCC[C@H](c2nccnc2Nc2ccccn2)C1 585292264 KCMUMEDJIRGZAD-ZDUSSCGKSA-N 309.373 2.507 0 40 DDAB CS[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)C1 107063618 ZSWRMTJKGIYNRM-YRGRVCCFSA-N 323.466 1.582 0 40 DDAB CO[C@H]1[C@H](CNC(=O)Cc2cccc(F)c2)COC[C@H]1OC 1615131828 ZFMGTMPEDKUTAH-XPKDYRNWSA-N 311.353 1.161 0 40 DDAB Cc1cc2c(cc3c(=O)n(CC(=O)NC4CC4)nc(C)n32)o1 12115496 ZVRMFYLIHZSYNO-UHFFFAOYSA-N 300.318 1.138 0 40 DDAB CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccncc3)C2)CC1 244933266 CJWDUEOZCNBBQO-INIZCTEOSA-N 317.389 1.320 0 40 DDAB Cc1ccnc(N2C[C@@H]3CN(c4ncncc4F)C[C@H]3C2)n1 1888842567 MTWHODWZQLKVOW-RYUDHWBXSA-N 300.341 1.287 0 40 DDAB c1ccc(N2C[C@H]3CCN(c4ccc5nccn5n4)[C@H]3C2)nc1 1889147523 BCWXTWXJKIRFHH-KGLIPLIRSA-N 306.373 1.839 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN(Cc2nncn2C)CC1 1848585818 SCQROVJZBDVJIK-UHFFFAOYSA-N 321.816 1.359 0 40 DDAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCCCC1 20564365 MWGBFJCOESSRNP-AGIUHOORSA-N 316.423 1.435 0 40 DDAB CCCc1ccc([C@]2(C)NC(=O)N(CCC(N)=O)C2=O)cc1 24100666 FCFFJJYCVLWCFK-INIZCTEOSA-N 303.362 1.282 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)C1=COCCO1 24985666 VPBSHGPAMVHNEA-ZDUSSCGKSA-N 302.330 1.504 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H]1C(N)=O 32415179 BJXAWRNBWAWVGC-NSHDSACASA-N 316.810 1.677 0 40 DDAB CN1CCCCC12CCN(C(=O)CCc1cncnc1)CC2 1565542448 BEBPQIBTUOLBKB-UHFFFAOYSA-N 302.422 1.886 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccccc1OC 4502314 OOYCSKFUGPJRBH-SNVBAGLBSA-N 318.329 1.217 0 40 DDAB CCc1cccc(CC)c1NC(=O)C[C@H](NCCO)C(=O)O 4939661 BZMWMALHCPFSDY-ZDUSSCGKSA-N 308.378 1.175 0 40 DDAB CCc1ccc(C(=O)N2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cn1 2055772854 NFEPYELWPJYSEN-ZBFHGGJFSA-N 313.401 1.584 0 40 DDAB COc1ccccc1CCNC(=O)[C@H](C)n1nc(C)ccc1=O 44395069 QHOJZOPIVPHLDP-ZDUSSCGKSA-N 315.373 1.480 0 40 DDAB Cc1ccc(=O)n(CC2CN(c3nc(C)nc4c3CCC4)C2)n1 585603223 KTMFUUXCKDEBIE-UHFFFAOYSA-N 311.389 1.275 0 40 DDAB CN1C(=O)[C@H](C(=O)Nc2nncs2)c2cc3occc3cc21 28564081 OQMLSKSSPKAKJQ-NSHDSACASA-N 314.326 1.983 0 40 DDAB in-vitro O[C@H](CN1CCN(CCc2ccc(F)cc2)CC1)C(F)(F)F 97377972 HTHLGLXROSHVEI-CQSZACIVSA-N 320.330 1.909 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 68232 FLJTYRIRNQBLOK-UHFFFAOYSA-N 320.374 1.853 0 40 DDAB Cc1nn(C)c(C)c1CNCc1ccnc(N2CCOCC2)c1 30900453 MCOZJODLXSDRBX-UHFFFAOYSA-N 315.421 1.558 0 40 DDAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 40475626 MLHPGBBDMDNDLO-UHFFFAOYSA-N 316.361 1.472 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2ncn[nH]2)c1C 11238548 QMTDEIVDJVQDEY-UHFFFAOYSA-N 308.363 1.901 0 40 DDAB CCc1nnsc1C(=O)NC[C@H](C)Cn1nc(C)cc1C 40541149 GZHTVPPUMCILDY-VIFPVBQESA-N 307.423 1.980 0 40 DDAB CCCc1nnc(NC(=O)N2CCC[C@H](NC(C)=O)C2)s1 40554513 MPNFVJYDLBJCNB-JTQLQIEISA-N 311.411 1.623 0 40 DDAB O=C(N[C@@H](C(=O)O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 3141038 VSXIATZJERMSIY-CQSZACIVSA-N 323.308 1.479 0 40 DDAB COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1F 40536327 GKTCQRYXMPWYKF-AWEZNQCLSA-N 324.396 1.996 0 40 DDAB COc1ccc2c(CC(=O)N[C@H]3CCCCNC3=O)coc2c1 40522025 JPJTYVCFUAMUBA-AWEZNQCLSA-N 316.357 1.769 0 40 DDAB COc1ccc(OC)c(NC(=O)C[C@@H](NCC(C)C)C(=O)O)c1 4280208 RSQHXKYSQXCZKN-CYBMUJFWSA-N 324.377 1.731 0 40 DDAB NC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1Cl 4755283 FQASGZGSRYMBAW-XXHBBNRNSA-N 316.744 1.750 0 40 DDAB O=C(O)c1cc(C(=O)NCCn2cccc2)n(-c2ccccc2)n1 96479850 BMWSCYBBZGVXPF-UHFFFAOYSA-N 324.340 1.802 0 40 DDAB CCOC(=O)c1nc2[nH]c(-c3ccc(Cl)cc3)cc(=O)n2n1 10157040 XREOEGNMUSLCOF-UHFFFAOYSA-N 318.720 1.915 0 40 DDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC(C)CC2)c1 8184334 VSLNZHMFAOXVJM-UHFFFAOYSA-N 324.446 1.922 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@]23CC=CC[C@]32C[C@H]12 101049062 ZGJFIOANBODQNF-OHQAAIJDSA-N 319.364 1.977 0 40 DDAB Cc1ccc(-c2nnc([C@H](NC(=O)C(C)(C)C)C(N)=O)o2)cc1 41157783 ZWPAMGPBTRSUJB-LLVKDONJSA-N 316.361 1.734 0 40 DDAB O=C(NCCc1cccs1)NC[C@H]1CCS(=O)(=O)C1 32803260 HTTKLWNGNJDPTN-SNVBAGLBSA-N 302.421 1.025 0 40 DDAB CN(CCCOc1ccc(F)cc1)C(=O)C1=NN(C)C(=O)CC1 41469265 NYWUWLPLQGDMLS-UHFFFAOYSA-N 321.352 1.661 0 40 DDAB CCc1cnc(N2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)nc1 107226691 JKVPKPWSVZZIQP-UKRRQHHQSA-N 300.366 1.241 0 40 DDAB COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2722899 YLGLROOREBXNGY-UHFFFAOYSA-N 317.370 1.594 0 40 DDAB CN1C[C@H]2CCN(C(=O)c3ccccc3)CC[C@H]2S1(=O)=O 107183970 PYSVJRBEYGSHCS-ZIAGYGMSSA-N 308.403 1.183 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@H]1CCC(=O)N1 42200377 YKTNDDFGLLDUQP-LLVKDONJSA-N 311.179 1.686 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 8245161 RYKGZUUMWFDFRV-MNOVXSKESA-N 320.345 1.237 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 34092435 STPIRLCPRPCNDK-YHALQVAKSA-N 301.298 1.521 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CCCCNC2=O)cc1OC 42998181 DSBGSRFCFBWDSI-GFCCVEGCSA-N 321.377 1.172 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)NC1CCC(O)CC1 42961028 BOBUYDGTKITBMC-UHFFFAOYSA-N 314.389 1.975 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)c3nccnc3N)cn2)n1 24786434 NATKRMWCDNJMSX-UHFFFAOYSA-N 309.333 1.509 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1 107198110 PECATAPVBYEEHI-OKZBNKHCSA-N 314.429 1.987 0 40 DDAB C[C@H]1COCCN1C(=O)COc1cccc(NC(=O)C2CC2)c1 47449741 HOUIJKYBBXHGEL-LBPRGKRZSA-N 318.373 1.661 0 40 DDAB FC(F)(F)C(F)(F)c1nnc2ccc(-n3ccnc3)nn12 1446107 RMHGNXAEVLEIRN-UHFFFAOYSA-N 304.182 1.964 0 40 DDAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2S(C)(=O)=O)cc1 100113507 VBDMHRJWICNVNA-JMSVASOKSA-N 311.403 1.887 0 40 DDAB COc1cccc(CCC(=O)N2CCN(C[C@@H](C)O)CC2)c1 57636218 RZAXLCXUVZLMIY-CQSZACIVSA-N 306.406 1.153 0 40 DDAB CN1N=C(c2ccc(-n3cncn3)cc2)C[C@@H]1c1cnn(C)c1 58325263 JGYBXTMXQAQZBI-MRXNPFEDSA-N 307.361 1.782 0 40 DDAB CNC(=O)C1(NC(=O)CSCc2ccncc2)CCCCC1 58341773 GRVMUNXVVUDCHU-UHFFFAOYSA-N 321.446 1.880 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1cnn(C(C)C)c1C(F)(F)F 58355182 FTUAJBSBKRWXRQ-MRVPVSSYSA-N 320.315 1.737 0 40 DDAB CCc1noc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)n1 58433862 BWJHNVWUHIOEAG-INIZCTEOSA-N 314.345 1.908 0 40 DDAB O=C(OCC(=O)N1CCCCC1)[C@H]1COc2ccccc2O1 3315404 MCYROZRSWXTDHY-CQSZACIVSA-N 305.330 1.382 0 40 DDAB CCOc1ccc(C(=O)NCCN(C)CCOC)cc1OCC 69414904 MCONMLGKINBHDA-UHFFFAOYSA-N 324.421 1.792 0 40 DDAB CN(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12855797 XFXAYDDBJYEVSB-JLHYYAGUSA-N 322.430 1.787 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2)C1)C(C)C 12976181 BKAQAIQXIXYSHA-HOTGVXAUSA-N 304.390 1.747 0 40 DDAB C[C@@H](Cn1cccn1)NCC(=O)N1CCC(c2ccccc2)=N1 69419311 PQIRBFCNGXQFPC-AWEZNQCLSA-N 311.389 1.498 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 22743393 NZUHHJDONBXCGK-ZDUSSCGKSA-N 303.362 1.366 0 40 DDAB COC(=O)c1sccc1NC(=O)C(=O)NCc1cccnc1 13691782 FMUPOJJHCJQAQB-UHFFFAOYSA-N 319.342 1.185 0 40 DDAB O=C(N[C@H]1CCN(C2CC2)C1)c1cn(-c2ccc(F)cc2)nn1 69513734 ZMOPEEZTQPBHKH-LBPRGKRZSA-N 315.352 1.373 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CC(n3nc(C)cc3C)C2)on1 69653159 MFTZPURCXHGPRH-GFCCVEGCSA-N 303.366 1.680 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCn2ccccc2=O)c(F)c1 69704230 QRHPSUUUGSDLKB-UHFFFAOYSA-N 324.377 1.664 0 40 DDAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccccn2)CC1 14075154 YUOCDRBJXMIEGO-CQSZACIVSA-N 302.422 1.651 0 40 DDAB CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 5346232 TXWDMHDKTPWDAI-NSHDSACASA-N 310.350 1.566 0 40 DDAB Cc1noc(CCCC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)n1 75130747 NHGBMOFJYKVZLE-ZIAGYGMSSA-N 306.410 1.786 0 40 DDAB Cc1nc(-c2ccccc2)n(CC(=O)N2CCO[C@H](C)C2)n1 66081376 WTAFDTUPYJUKQC-GFCCVEGCSA-N 300.362 1.501 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)C 4834989 FISGOKSFCHNDOF-NSHDSACASA-N 314.407 1.195 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ncnc2c1cnn2C 69951152 GVXVDESSKWDENK-UONOGXRCSA-N 314.393 1.343 0 40 DDAB COc1cccc(C(=O)OCC(=O)NCc2ccco2)c1OC 7181866 FTLFNMKIEXZSLJ-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 7738082 PIEWAZAUDJAMFI-SNVBAGLBSA-N 317.345 1.488 0 40 DDAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)cc1 9332795 KFLVEASHPRXSDI-LLVKDONJSA-N 301.306 1.117 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2C1 89754410 SJCOHLWFOCCGHV-PSASIEDQSA-N 306.387 1.408 0 40 DDAB CNS(=O)(=O)[C@@H]1CCN(Cc2csc(C(C)C)n2)C1 89893549 LFVJJDGAQJNRDJ-LLVKDONJSA-N 303.453 1.390 0 40 DDAB CCCOc1ccc([C@H]2C=C(C(=O)O)NC(=O)N2)cc1OC 19942587 WSAZCNHIMPHMPI-SNVBAGLBSA-N 306.318 1.806 0 40 DDAB CCc1nnsc1C(=O)N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 83820196 BXWULMKNLNKNMI-YPMHNXCESA-N 324.450 1.283 0 40 DDAB CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1 71909484 WULBQMZIEKBUHD-DGCLKSJQSA-N 302.440 1.543 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)CN(C)[C@@H]2CCSC2)C1(C)C 89917642 KVUPKQWKAUYXCR-TYNCELHUSA-N 300.468 1.744 0 40 DDAB CC(C)OCC[C@H]1CCCCN1C(=O)CN1CSCC1=O 72275571 SVTMIBPDSVRZJD-CYBMUJFWSA-N 314.451 1.716 0 40 DDAB Cc1cnn(C[C@H](C)NCc2csc(CC(=O)N(C)C)n2)c1 72267514 JCMCABWEPWOYNO-LBPRGKRZSA-N 321.450 1.457 0 40 DDAB Cc1nc2ncnn2c(NCCNC(=O)C2CCCCC2)c1C 72293759 HMJRGIAWHICKOH-UHFFFAOYSA-N 316.409 1.850 0 40 DDAB O=C(CCc1ccsc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269574 KMWWCCDLIVIDKP-HUUCEWRRSA-N 308.447 1.738 0 40 DDAB COc1cccc(CS(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 97013365 JPRQAQXCIWGGEF-CYBMUJFWSA-N 322.390 1.241 0 40 DDAB CC(C)[C@@H](CNC(=O)Nc1ccncc1F)N1CCN(C)CC1 97135982 SMMHAYBBLADXLS-OAHLLOKOSA-N 323.416 1.614 0 40 DDAB COc1ccnc(N2CCCN(c3ncccc3F)CC2)n1 97227482 NAJRUNCXMXTDRW-UHFFFAOYSA-N 303.341 1.736 0 40 DDAB C[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)C(C)(C)CO1 97376907 KSNLEIYNXUSEJB-CQSZACIVSA-N 319.453 1.228 0 40 DDAB Cc1cc(C(=O)NC2(C(=O)O)CCCC2)c2c(C)nn(C)c2n1 78307616 XLYLYUHXLDIHFR-UHFFFAOYSA-N 316.361 1.712 0 40 DDAB Cn1cc(CCOC(=O)c2csc(-c3cnn(C)c3)n2)cn1 95397427 OLCBMURLBNPYEI-UHFFFAOYSA-N 317.374 1.677 0 40 DDAB CCCN(CCC)C(=O)CCCC(=O)NC[C@@H](C)C(=O)O 95425323 MXGPNAFWJWOCOX-GFCCVEGCSA-N 300.399 1.642 0 40 DDAB Cc1ccn2c(NS(=O)(=O)Cc3ccccc3)nnc2c1 95447338 JYAUJKZMHYYLMH-UHFFFAOYSA-N 302.359 1.980 0 40 DDAB CC(=O)c1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)n(C)c1 95435385 JEVXMENNSRSPSF-AWEZNQCLSA-N 312.373 1.631 0 40 DDAB C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1nccnc1C(N)=O 73939461 IXHLFTJUWDLORU-MWLCHTKSSA-N 316.386 1.655 0 40 DDAB CCc1ccc(CC)c(NC(=O)N[C@H](CCOC)C(N)=O)c1 95987444 XSPRECYTWHOHFU-CYBMUJFWSA-N 307.394 1.823 0 40 DDAB CS[C@H]1CCC[C@H]1NC(=O)N1CCC(n2cncn2)CC1 74762216 GINVZCDBPAVQPE-OLZOCXBDSA-N 309.439 1.909 0 40 DDAB Cc1cccc(N2C(=O)N[C@@]3(O)C(=O)c4ccccc4[C@@]23O)c1 39380635 ZOFGPHYRDFBESD-SJORKVTESA-N 310.309 1.255 0 40 DDAB COC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(C)=O 3846681 OJJFJJNHIQYZPV-CQSZACIVSA-N 322.361 1.371 0 40 DDAB biogenic C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)[C@@H]1C 189993803 ZHRWIQCCTRAWJJ-NEPJUHHUSA-N 302.374 1.750 0 40 DDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCC1CCOCC1 79483607 UAVFUGNCDJVXBQ-UHFFFAOYSA-N 322.405 1.239 0 40 DDAB CCOC(=O)c1ccc(OCC(=O)NCC(F)(F)F)cc1 79442080 DCCGVNUUYJRDMH-UHFFFAOYSA-N 305.252 1.921 0 40 DDAB CCOCCS(=O)(=O)c1nccn1-c1cccc(OC)c1 78441969 BLHZQPURFCXMRI-UHFFFAOYSA-N 310.375 1.691 0 40 DDAB CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN1Cc1cncn1C 72366148 JXAGFVSZXFWXMP-CYBMUJFWSA-N 302.382 1.182 0 40 DDAB CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(C)S3(=O)=O)cc1 225947425 LVANUISSEKATTI-QMTHXVAHSA-N 310.375 1.058 0 40 DDAB Cc1nc(CN2C(=O)N[C@](C)(c3cccnc3)C2=O)oc1C 85268185 HLQMOIUKRNVWNM-OAHLLOKOSA-N 300.318 1.654 0 40 DDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 225497553 PDOKRJHWDZUFKJ-LLVKDONJSA-N 303.318 1.762 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@@H](O)c1ccco1 77112200 ZVJSTFYMJOARJF-CQSZACIVSA-N 320.389 1.826 0 40 DDAB O=C(c1ccncc1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 97971508 WPWFTNOHCYZLSX-GOEBONIOSA-N 307.353 1.817 0 40 DDAB C[Si](C)(CNc1nn2c(=O)ccnc2s1)c1ccccc1 195567276 BFCVKCDWAWRIHF-UHFFFAOYSA-N 316.462 1.718 0 40 DDAB CC(C)Oc1ncnc2c1CCN(C(=O)[C@H]1CCCO1)CC2 96255655 RAQNRCCRLFCOHR-CQSZACIVSA-N 305.378 1.370 0 40 DDAB COCCC1(C(=O)N2CCC(C(=O)NC3CC3)CC2)CCC1 95414673 STYPJNGHKJRFAF-UHFFFAOYSA-N 308.422 1.710 0 40 DDAB COc1ccc(/C=C/C(=O)O[C@H](CC(=O)O)C(=O)O)cc1OC 95864783 FZQDBBBREHNBJN-FVOPLDGLSA-N 324.285 1.188 0 40 DDAB c1csc(CNC[C@@H]2Cn3nnc(-c4ccoc4)c3CO2)n1 96199202 HSSKBQXGMLNFFI-LLVKDONJSA-N 317.374 1.683 0 40 DDAB Cc1ccoc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN(C)C 96041490 IQLYBEUIWRCIQF-SQWLQELKSA-N 322.405 1.538 0 40 DDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccncc3)CC2)n1 238887882 QHISCVRMVPORAK-UHFFFAOYSA-N 313.361 1.284 0 40 DDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2nccs2)ncn1 96184776 MAHXIPFRXMWWPH-NEPJUHHUSA-N 317.418 1.795 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 96107961 NXZUBQRDJWYWPI-GOEBONIOSA-N 306.381 1.547 0 40 DDAB c1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)CNC2 96045167 VFWVQPVGDXIVOF-OAHLLOKOSA-N 305.422 1.923 0 40 DDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(CC3CC3)CC[C@@H]21 96185705 NSWSNTCDMGDICC-IKGGRYGDSA-N 302.422 1.604 0 40 DDAB O=C(CN1CCOc2ccc(Cl)cc21)N[C@@H]1C=C[C@H](CO)C1 96468265 RYZCTMVPDZYFQS-WCQYABFASA-N 322.792 1.592 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1)N1CCC1 96215531 FDYJOBWMPAVQOM-YNEHKIRRSA-N 307.419 1.355 0 40 DDAB CCOc1nc2cc(C(=O)N(C)C[C@@H](C)C(=O)NC)ccc2[nH]1 252478945 AXSWBHYHCZUDTC-SNVBAGLBSA-N 318.377 1.416 0 40 DDAB CC(=O)N1CCOC[C@]2(CC(=O)N2Cc2ccc(C)cc2)C1 257255420 KHKMRRSDXJAORE-KRWDZBQOSA-N 302.374 1.345 0 40 DDAB Cc1cc(C)nc([C@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 257329796 XLOPQMQJSNGJMW-CYBMUJFWSA-N 304.394 1.265 0 40 DDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 257225923 FIKPRVPSUZUBQF-NSHDSACASA-N 323.356 1.584 0 40 DDAB O=C(c1cnc(O)nc1O)N1CCC[C@@H](Cc2cccnc2)C1 257275622 NQDMZNRVQZUIFN-LBPRGKRZSA-N 314.345 1.378 0 40 DDAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1ccc(Cl)c(Cl)c1 40807486 PVNXWZKRMAZARY-QOSJWCAFSA-N 303.189 1.893 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)sc1C 262425871 NSIUIINCCMFESX-JTQLQIEISA-N 303.405 1.850 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H]1CCN(C(N)=O)C1 265119955 NLMGGCSVEMSRCU-NSHDSACASA-N 309.341 1.252 0 40 DDAB O=C(NCCCc1cc2ccccc2o1)C(=O)Nc1ccon1 390830188 JHMZTNLLBLUPSK-UHFFFAOYSA-N 313.313 2.108 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 575403024 HPIGLXIQANYNBA-CYBMUJFWSA-N 322.430 1.831 0 40 DDAB CC(C)C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 575404504 NSDMXRDMOFHKGT-BZUAXINKSA-N 316.401 1.546 0 40 DDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cnc(C)cn1 585094794 NCPPZCGTWUPPCP-LBPRGKRZSA-N 315.377 1.122 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccc(C)cn2)C1 585277507 MORVSKRZVRRUFF-KRWDZBQOSA-N 319.405 1.537 0 40 DDAB CNC(=O)C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 44892026 MWKZQXDSEXQXRS-CQSZACIVSA-N 322.792 1.628 0 40 DDAB CC1CCN(S(=O)(=O)NCCN2C[C@H](C)C[C@@H](C)C2)CC1 46035401 FEWMHJDBHLKIIR-HUUCEWRRSA-N 317.499 1.531 0 40 DDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 46106566 XLAOFQSYIXYKMD-QMMMGPOBSA-N 309.309 1.755 0 40 DDAB O=C([C@@H]1CCCN(c2ccc(Cl)cn2)C1)N1CCOCC1 78628366 ADEUQRBRPPIQJL-GFCCVEGCSA-N 309.797 1.810 0 40 DDAB Cc1nnc2ccc(N3CCCN(C(=O)C(C)C)CC3)nn12 80979109 LAPQVVOATRMCBS-UHFFFAOYSA-N 302.382 1.127 0 40 DDAB C/C(=C\C(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 96309062 DMCUPZQDGGBYPZ-BUHFOSPRSA-N 322.430 1.584 0 40 DDAB CN1CCN(S(=O)(=O)c2cccc(-c3cc[nH]n3)c2)CC1 103458319 PXMXOWDRIFFFDI-UHFFFAOYSA-N 306.391 1.013 0 40 DDAB CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N 5555165 LGXAKQYYNRENPM-UHFFFAOYSA-N 305.407 1.902 0 40 DDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 16681664 YGJIPJVDKCHKGO-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458316 HQZPBZCRGFEWTB-OLZOCXBDSA-N 316.405 1.904 0 40 DDAB O=C([C@H](O)[C@@H](O)/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 253397911 GFAFRFYCGGHOIB-KUVDPZLZSA-N 319.357 1.163 0 40 DDAB biogenic,in-vitro COC(=O)c1cc([C@](O)(C(=O)OC)C(F)(F)F)c(N)s1 3198846 IPYGRKYXLFPDTO-VIFPVBQESA-N 313.253 1.040 0 40 DDAB Cc1nccc(N2CCCN(c3ccc4nnc(C)n4n3)CC2)n1 1775986128 WOOZCOXRJKGLPE-UHFFFAOYSA-N 324.392 1.248 0 40 DDAB N[C@@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1 252504224 VINAKOLLBDXUOF-HTQZYQBOSA-N 314.354 1.791 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)c3ccncc3OC)CC[C@H]2C1 1565551481 RADKNYVEKPXOQR-XJKSGUPXSA-N 319.405 1.273 0 40 DDAB Cc1noc(CC(=O)N2CCc3ncnc(C4CC4)c3CC2)n1 1565543140 IHRYZFMMLFQXGT-UHFFFAOYSA-N 313.361 1.215 0 40 DDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccccc1F 4941436 OSCGQNPTKHCKSI-LLVKDONJSA-N 322.336 1.566 0 40 DDAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cccnc1 9844026 VADLGFGPEOBCJK-UHFFFAOYSA-N 320.352 1.735 0 40 DDAB CCC(CC)CN1CC[C@H]2O[C@H](C(=O)NCCOC)CC[C@H]21 2055754653 MWUXFVZWGHAFAH-OAGGEKHMSA-N 312.454 1.807 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)NC1CCCCC1)c1cccs1 23106556 VKWQRBGUVSIZFQ-CYBMUJFWSA-N 323.462 1.916 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1 585150062 QKTIQPPIEOYSJI-CYBMUJFWSA-N 318.329 1.140 0 40 DDAB COc1ccc(Nc2nc(NCCO)nc3[nH]ncc23)cc1 23135958 PLACAJSAWPHJKA-UHFFFAOYSA-N 300.322 1.509 0 40 DDAB CC1(C)SC[C@@H](C(=O)Nc2nnc(C3CC3)s2)N1C=O 115420 CVDTVJWFIGSGOC-QMMMGPOBSA-N 312.420 1.664 0 40 DDAB Cc1cc([C@@H](C)NC(=O)N2CCS(=O)(=O)CC2)c(C)s1 89582364 LWFCEPKUHXYXTP-SNVBAGLBSA-N 316.448 1.866 0 40 DDAB CCc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)OC)[C@@H]3C1=O 537726 CEICVUCFKFAYJL-AFIMGQEJSA-N 313.353 1.708 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@H](c2ccsc2)N(C)C)n1 40498961 UIIWGAHKHGYVFY-CQSZACIVSA-N 306.435 1.981 0 40 DDAB Nc1nccnc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 31269489 YQBLITXRDIMUBG-OAHLLOKOSA-N 312.373 1.645 0 40 DDAB Cc1noc(C)c1CN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O 89529350 ATCYSTFRCSRRLL-HNNXBMFYSA-N 306.366 1.196 0 40 DDAB CC(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 40543478 PYMOBWFSTUGPIT-CYBMUJFWSA-N 311.403 1.778 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCCN1C(=O)CSC1=O 40554728 YFVWQNPTDUVDGN-SNVBAGLBSA-N 308.359 1.266 0 40 DDAB C[C@H](c1ccccc1F)n1cc(C(=O)NC[C@@H]2CCCO2)nn1 4985870 OBKNVRLFDXYTGX-NEPJUHHUSA-N 318.352 1.935 0 40 DDAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1 4353998 VSAVUPPKKJIXCP-UHFFFAOYSA-N 315.373 1.834 0 40 DDAB CCOCCCNC(=O)COc1ccc(C(C)=O)cc1OC 6638797 YOXXMIKOCBDYMC-UHFFFAOYSA-N 309.362 1.819 0 40 DDAB CCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 6954263 HXRTUAFTSQXBDC-UHFFFAOYSA-N 307.755 1.190 0 40 DDAB CCCNC(=O)CN1CCC(NC(=O)/C=C/c2ccco2)CC1 29225546 IMRPMNNQNWWJRY-AATRIKPKSA-N 319.405 1.400 0 40 DDAB CS(=O)(=O)c1nccn1Cc1nc(-c2ccc(F)cc2)no1 96444629 SYHRMVNPILSHAM-UHFFFAOYSA-N 322.321 1.524 0 40 DDAB O=C(N[C@@H]1CCSC1)[C@H]1CC(=O)N(Cc2cccnc2)C1 20638807 FWMJUKZGFMXGHD-QWHCGFSZSA-N 305.403 1.052 0 40 DDAB CCN(CC(=O)NC)C(=O)CCc1c(C)nc(SC)nc1C 40539462 JFSHSPFTGOVOAS-UHFFFAOYSA-N 324.450 1.342 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccn(C)c(=O)c1 51877259 INGFPHXKZWSACW-INIZCTEOSA-N 311.385 1.058 0 40 DDAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)on1 20991706 ITBVKWRPPOQVEO-SSDOTTSWSA-N 323.330 1.327 0 40 DDAB Cc1ncncc1C(=O)N1CCO[C@H](c2nc(C(C)C)n[nH]2)C1 89544576 ITCFOJDYMXCXJL-LBPRGKRZSA-N 316.365 1.240 0 40 DDAB c1ccc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)nc1 107745257 AWSNCMOQEFYRPS-ZACQAIPSSA-N 303.406 1.146 0 40 DDAB CCCc1ccc(N2CCN(C(=O)/C=C\C(=O)O)CC2)cc1 33294735 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324.446 1.650 0 40 DDAB c1ccn2c(N3CCC(OC4CCOCC4)CC3)nnc2c1 96006393 KMRMJEGEMRJZFL-UHFFFAOYSA-N 302.378 1.894 0 40 DDAB COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1OC 9479672 NPFKISFCYTXTPR-UHFFFAOYSA-N 316.357 1.939 0 40 DDAB COCc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1 71830926 OOXQVFOHWIMUJH-UHFFFAOYSA-N 319.390 1.042 0 40 DDAB Cn1nc(C(C)(C)C)cc1NC(=O)N1CCC(CC(N)=O)CC1 71831270 NBTJYKQMTOZNGL-UHFFFAOYSA-N 321.425 1.837 0 40 DDAB COc1cc(C)sc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76053335 WSWIQEROGBXTND-AAEUAGOBSA-N 324.446 1.858 0 40 DDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCOCCO 71907454 QMJJXEUIJQQLRN-GFCCVEGCSA-N 301.408 1.092 0 40 DDAB CNC(=O)c1ccc(N2CC=C(c3ccc(O)cc3)CC2)nn1 76092814 MIFANJMKZRFYRA-UHFFFAOYSA-N 310.357 1.836 0 40 DDAB Cc1ccc(-n2nnnc2NC[C@@H](O)C2CCOCC2)cc1 76690514 UERYUINDSFVAQB-CQSZACIVSA-N 303.366 1.170 0 40 DDAB COCC(=O)N[C@H](C(=O)N[C@@H](C)Cc1cccc(F)c1)C(C)C 78116011 VDNHYAJMWVXZPA-LRDDRELGSA-N 324.396 1.660 0 40 DDAB Cc1nnc2ccc(N[C@H]3CCCN(c4cnn(C)c4)C3)nn12 78368549 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O=C(c1cnccn1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042073 LSALDMUMRJHTGZ-SOUVJXGZSA-N 303.362 1.275 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1cccc(-n2cccn2)c1 96443801 KUZAIBWZJIHIIL-CHWSQXEVSA-N 310.361 1.902 0 40 DDAB O=C(O)c1ccn(-c2ncnc3c2cnn3-c2ccccc2)n1 96517390 BOCQQZQUYHXOGD-UHFFFAOYSA-N 306.285 1.699 0 40 DDAB CCN1CCN(C)C(=O)C12CCN(Cc1cccs1)CC2 96230241 RKSPVMXMPCSEMU-UHFFFAOYSA-N 307.463 1.877 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC2CCOCC2)C1 95395180 IGHGGIVICDLGAF-GFCCVEGCSA-N 313.398 1.474 0 40 DDAB O=C(N1CCCC1)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1 96208284 LHGPJBJCCQVKAZ-WMLDXEAASA-N 321.421 1.448 0 40 DDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C2CCOCC2)n1 96092092 FBSLXYNRQXGRRO-DLBZAZTESA-N 315.417 1.744 0 40 DDAB Cn1cc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)cn1 96187883 IXAKKVRDIVTBPY-INIZCTEOSA-N 315.421 1.675 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(C2CCOCC2)Cc2cccn2C1 247501362 PYLLMDGMNCFTDO-HNNXBMFYSA-N 317.433 1.625 0 40 DDAB C[C@]1(O)CCN(C(=O)c2ncc[nH]2)C[C@@H]1Oc1cccc(F)c1 257278583 OCVJPAHZWYJCPL-BBRMVZONSA-N 319.336 1.593 0 40 DDAB CO[C@H]1CN(C(=O)c2cnc(C(C)C)nc2)C[C@@]12CCCO2 257320317 VWFROGDSTBSMKX-BBRMVZONSA-N 305.378 1.620 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 257205173 AXXUUYFWTYZYEG-ZDUSSCGKSA-N 301.394 1.790 0 40 DDAB Cn1ccnc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257287981 PSHAVNRPULHPJY-GJZGRUSLSA-N 312.373 1.036 0 40 DDAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)C(C)C)C2)ncn1 257306676 SVIBLSPRPBJNJV-GFCCVEGCSA-N 304.394 1.273 0 40 DDAB C[C@@H]1CC[C@H](CO)CN1C/C=C/CN1C[C@H](CO)CC[C@H]1C 252486326 ILXKADWHYPCQNI-XLILKLNXSA-N 310.482 1.728 0 40 DDAB Cc1n[nH]cc1CN1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 257240303 HSYCSEJQRCTFLC-RDJZCZTQSA-N 316.405 1.826 0 40 DDAB CC(C)c1ncc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)cn1 257249552 JIWRGAVRGKYUSG-CYBMUJFWSA-N 301.350 1.537 0 40 DDAB O=C(c1cnn2cccnc12)N1CCC[C@H](c2cnccn2)C1 257321935 WDXSHSGEEZWXRO-LBPRGKRZSA-N 308.345 1.539 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)n1 257216459 CUPGZGVYERGXKL-AWEZNQCLSA-N 318.421 1.447 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCn2ccc(C)n2)n1 257237728 HHWUDBDSEOYKSX-ZDUSSCGKSA-N 303.366 1.213 0 40 DDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 20200541 LWXIUDIXXUDRAU-SNVBAGLBSA-N 317.794 1.966 0 40 DDAB O=C(NCC[C@H](O)c1ccoc1)C(=O)NCc1ccc(F)cc1 90613194 WGBSODMSQBKNSE-AWEZNQCLSA-N 320.320 1.275 0 40 DDAB CO[C@H](CNC(=O)C(=O)Nc1ccon1)c1cccc(F)c1 96388622 LOXYOGIQXHILAH-LLVKDONJSA-N 307.281 1.256 0 40 DDAB COCCNC(=O)C[C@H]1CN(CC2CCC2)Cc2cccn2C1 585099131 OLJRYHVCZQJIMA-INIZCTEOSA-N 319.449 1.873 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C 585097766 OGCKAHQJSRZXIB-CYBMUJFWSA-N 318.421 1.607 0 40 DDAB COCCN1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 585104193 KNZFSSUCOYXBTQ-GOSISDBHSA-N 318.417 1.384 0 40 DDAB Cc1nc[nH]c1CN1CC[C@@](O)(COc2ccc(F)cc2)C1 585274268 IAPBBLQLZBQCCB-INIZCTEOSA-N 305.353 1.873 0 40 DDAB C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)OCC(N)=O 71900805 PHHZMQWCECJDDO-NSHDSACASA-N 314.341 1.873 0 40 DDAB COc1ccccc1CN[C@H](C(=O)N1CCOCC1)C(C)C 84053239 XNUXPIJTNDIRNE-INIZCTEOSA-N 306.406 1.668 0 40 DDAB CN(C)S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 655641248 AXNPZMUOIHHMPV-UHFFFAOYSA-N 320.418 1.616 0 40 DDAB CCC(CC)[C@@H](O)CNS(=O)(=O)c1c(C)nn(C)c1C 96483498 WWCLTUDRXIPOPP-LBPRGKRZSA-N 303.428 1.112 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CC(=O)c1ccccc1 5003612 XGFAGMHTCRTIIH-JQWIXIFHSA-N 310.400 1.018 0 40 DDAB C[C@@H](O)CN[C@@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5258072 PDSSVCSVMJQBQL-ABAIWWIYSA-N 316.357 1.592 0 40 DDAB CCc1nnc(SCC(=O)Nc2ccccc2Cl)n1N 5555100 DVULCMIHBLAKEI-UHFFFAOYSA-N 311.798 1.939 0 40 DDAB COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1 15734217 XXHRSDQMSHREKL-UHFFFAOYSA-N 314.297 1.962 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19495822 AIKRZOUVQRHWNY-MYPMTAMASA-N 323.400 1.942 0 40 DDAB Cc1cc(N2CCN(CCn3nccn3)CC2)nc(C2CC2)n1 1888843500 FVNYDZPPHYNORY-UHFFFAOYSA-N 313.409 1.076 0 40 DDAB CCC(=O)N1CCC(N(c2cc(N(C)C)ncn2)C2CC2)CC1 1849151131 JWFPIMBWZLEYII-UHFFFAOYSA-N 317.437 1.912 0 40 DDAB O=C(NCCNS(=O)(=O)c1cccs1)c1ccco1 24442813 WFFDREXAAHBCKO-UHFFFAOYSA-N 300.361 1.049 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H](CNC3CCN(C)CC3)[C@@H](C)C[C@H]21 1775964313 DLYGSKQGIJDLKS-QMCVQRASSA-N 323.481 1.190 0 40 DDAB biogenic,in-vitro COC(=O)CCCNC(=O)c1ccnc(OC2CCOCC2)c1 244947588 DNGWLLWNZIEGQO-UHFFFAOYSA-N 322.361 1.322 0 40 DDAB CN1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2OCC1=O 2037985880 ZOXCPQGAPWHARA-JSGCOSHPSA-N 322.792 1.659 0 40 DDAB NCCCCCCN[C@H](CC(=O)Nc1ccccc1)C(=O)O 5257654 DYRPSFNSKOIUPQ-CQSZACIVSA-N 307.394 1.577 0 40 DDAB CC(C)CC(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251024 HUROUGYYKUFRLP-UHFFFAOYSA-N 311.345 1.698 0 40 DDAB COC(=O)CCCNC(=O)c1ccnc(O[C@@H]2CCSC2)c1 225724279 GMLMAYXKUDWBRH-GFCCVEGCSA-N 324.402 1.649 0 40 DDAB CSCC[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccc2c(c1)OCO2 5515638 UZXAEJBJYBGKGR-AAEUAGOBSA-N 324.446 1.885 0 40 DDAB biogenic Cc1cc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)no1 50076467 KICBAIRBLKQSQR-UHFFFAOYSA-N 316.365 1.932 0 40 DDAB Nc1nc(N)nc(COC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)n1 50017735 DXUASHWZAVDYLY-ZJUUUORDSA-N 319.752 1.536 0 40 DDAB O=C(NCCOc1cccc(Cl)c1)[C@@H]1CC(=O)N(C2CC2)C1 40108408 JNPIOBAIDWMUGN-LLVKDONJSA-N 322.792 1.846 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CCO1 30852606 MMQVRRSBILLIKO-CYBMUJFWSA-N 317.389 1.460 0 40 DDAB CCCOc1ccc(CN(CCO)CCO)cc1C(=O)OC 2395140 JBLACDPVLDUQIL-UHFFFAOYSA-N 311.378 1.049 0 40 DDAB COC(=O)C(=O)[C@@H](CC(=O)Nc1c(C)cccc1C)C(=O)OC 1624131 VRADPTCPNYGQOF-LLVKDONJSA-N 321.329 1.163 0 40 DDAB C[C@H]1CN(C(=O)CCCn2cnc3ccccc3c2=O)CCO1 40477934 RYODNCQFNLTYNL-ZDUSSCGKSA-N 315.373 1.424 0 40 DDAB CCC[C@H](C)NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 3542243 CGUBKMFGLYAMSK-VIFPVBQESA-N 319.365 1.203 0 40 DDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCC(=O)N(C)C 40511226 KJQRWBUTCLDQQJ-ZDUSSCGKSA-N 301.394 1.738 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)N3CCSCC3)CC2=O)cc1 40542180 CCVFOZFZKLUSFT-LBPRGKRZSA-N 320.414 1.624 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1 40511015 ZXPWYESPEYRMHY-LLVKDONJSA-N 302.334 1.312 0 40 DDAB Cn1c(-c2ccccc2)nn([C@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S 4451560 KNJBLGDOIPYGAI-JKOKRWQUSA-N 317.370 1.873 0 40 DDAB CC(C)COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cn1 40548775 VNRZGXPASUPGOR-UHFFFAOYSA-N 305.378 1.454 0 40 DDAB CCCCn1nnnc1SCC(=O)NCc1ccccc1 4882917 KENKSRXQWKIIAI-UHFFFAOYSA-N 305.407 1.882 0 40 DDAB Cc1ccc(OCC(=O)NS(C)(=O)=O)c(Br)c1 40543860 LVXIOGLISSVZMX-UHFFFAOYSA-N 322.180 1.212 0 40 DDAB CN(CCOc1ccc(Cl)cc1)C[C@H](O)Cn1cccn1 51591198 GTPHLVRDLNGSHB-AWEZNQCLSA-N 309.797 1.908 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C)C[C@@H]3C)o2)n1 89594233 QDHFXSWDYMBKPS-AWEZNQCLSA-N 316.405 1.917 0 40 DDAB CCNC(=O)N1CCc2ccc(NC(=O)NCCOC)cc21 75146051 VAVKCOLSQCFYCZ-UHFFFAOYSA-N 306.366 1.547 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)Nc1ccc(F)c(F)c1F 32908083 ZCEGXHKJQTWFFB-UHFFFAOYSA-N 322.246 1.552 0 40 DDAB Cc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)ccc1C(C)C 11905147 XECKRAVQLPTAJD-UHFFFAOYSA-N 315.373 1.997 0 40 DDAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCOC2)nn1-c1ccccc1 41372041 LTGPHWPWAULLBH-ZDUSSCGKSA-N 313.357 1.307 0 40 DDAB Cn1c(=O)c2c3c(sc2n2c(S)nnc12)COC(C)(C)C3 522637 QINQJYDLHRBTSY-UHFFFAOYSA-N 322.415 1.783 0 40 DDAB CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)NC1=S 105001398 VRMGOXBRQCQCKE-XFXZXTDPSA-N 304.371 1.941 0 40 DDAB COc1ccc([C@@H](NC(=O)c2cnccn2)c2nccn2C)cc1 12114917 HMVINLVPPVBJJA-OAHLLOKOSA-N 323.356 1.738 0 40 DDAB Cc1c([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cnn1C 101616296 DPTYGCMZUBIJJP-KNWICRRVSA-N 303.362 1.429 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)N[C@@H](C)C(=O)N(C)C 46968613 HQBGKILDVCAZKW-ZDUSSCGKSA-N 307.394 1.458 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3nc(C)cs3)C[C@@H]21 108532321 NCUNSDXWYMISJL-KBPBESRZSA-N 311.451 1.373 0 40 DDAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(O)nn1 22751272 IVWXJGGKVOPCTE-UHFFFAOYSA-N 300.318 1.113 0 40 DDAB NC(=O)CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1 54316153 HKJRLLMLCBNUDZ-UHFFFAOYSA-N 318.808 1.491 0 40 DDAB c1ccn2c(C3CCN(c4ncnc5[nH]ncc45)CC3)nnc2c1 12556498 AINSQIKYIQYARJ-UHFFFAOYSA-N 320.360 1.780 0 40 DDAB O=C(CN1CCN(C(=O)C2CCC2)CC1)Nc1ccccc1 23494585 YEOMAWQPLLLRDS-UHFFFAOYSA-N 301.390 1.569 0 40 DDAB CN(C)c1ncccc1CNC(=O)c1ccnc(-n2cncn2)c1 54705850 PKRVYWNRIDEQKG-UHFFFAOYSA-N 323.360 1.053 0 40 DDAB C[C@@H](NC(=O)NCCCN(C)C)c1ccc2c(c1)CCC(=O)N2 42921634 HXXMIQIDOBMJIZ-GFCCVEGCSA-N 318.421 1.883 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)[C@H](CC(C)C)NC(N)=O)cc1 29575810 NCGHZMCCGPAFAX-AWEZNQCLSA-N 320.393 1.344 0 40 DDAB O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C1=CCCC1 108143936 PPKLDEKUNASVJZ-IRXDYDNUSA-N 300.402 1.848 0 40 DDAB C[C@@H](c1nc2ccccc2s1)N1CCN(CC(N)=O)CC1 26886304 ALLKVPXBDVTUCG-NSHDSACASA-N 304.419 1.460 0 40 DDAB COc1ccc(CN(C)c2ccc(C(N)=O)cn2)c(OC)c1 58168241 KLJRJZJIBFQGSY-UHFFFAOYSA-N 301.346 1.834 0 40 DDAB COc1ccccc1/C=C/C(=O)NC1CCN(C(C)=O)CC1 44870837 SOEPSJKTAJOPGE-BQYQJAHWSA-N 302.374 1.836 0 40 DDAB CCC(C)(C)NC(=O)CCn1nc(O)c2ccccc2c1=O 44869167 BKBNLCOUAQCITQ-UHFFFAOYSA-N 303.362 1.797 0 40 DDAB C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)N(C)C 58215156 YHTWEPXLMBMDFQ-SNVBAGLBSA-N 320.780 1.732 0 40 DDAB CC[C@@H](C)NC(=O)CCNC(=O)c1cn2c(C)cccc2n1 58210758 HPRYNTFWCZSSMV-LLVKDONJSA-N 302.378 1.677 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1F 44933983 WPDGAFUXGGGUIE-ZJUUUORDSA-N 303.355 1.632 0 40 DDAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c1 3313469 XWYOWTDBKNFXGW-UHFFFAOYSA-N 300.314 1.732 0 40 DDAB COc1ccc(C)cc1-n1nnnc1SCCn1cncn1 58306857 OZQCEWROZMZFLA-UHFFFAOYSA-N 317.378 1.363 0 40 DDAB C[C@H](O)CNc1nc2ccccc2n1Cc1nnnn1C1CC1 58344929 UKQSBBWEPLRZQC-JTQLQIEISA-N 313.365 1.199 0 40 DDAB Cc1ccc(CCCC(=O)NC2CCN(CC(N)=O)CC2)cc1 45056821 YVUSGZFZTWQIGU-UHFFFAOYSA-N 317.433 1.384 0 40 DDAB O=c1ccccn1Cc1nc(COc2ccc(F)cc2)no1 48229790 LPLYHIOHMGPXOB-UHFFFAOYSA-N 301.277 1.998 0 40 DDAB CCNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 36386883 NWHAKBXHAMJTQY-UHFFFAOYSA-N 324.812 1.308 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1Cl 12986038 HWRLYMKHZDWZLQ-UHFFFAOYSA-N 318.826 1.795 0 40 DDAB Cc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c(C)n1C1CC1 68791988 JPVUONZGGABKEQ-GFCCVEGCSA-N 319.405 1.417 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 4017103 IHGRWMXWMNFSOB-ZDUSSCGKSA-N 308.309 1.643 0 40 DDAB CCNC(=O)CNC(=O)c1cc(Br)ccc1F 8094626 LSOWUEZRWXIMEL-UHFFFAOYSA-N 303.131 1.454 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccccc3Cl)[C@H]2C1 13686515 FPQVHGXHIGZSTE-SCZZXKLOSA-N 302.808 1.200 0 40 DDAB CC(=O)c1c(COC(=O)c2ccncc2)nc2ccccc2[n+]1[O-] 4296140 KXXUNUSANFYXBB-UHFFFAOYSA-N 323.308 1.823 0 40 DDAB COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cn1 5062362 VBEDDQQNIXBVKE-UHFFFAOYSA-N 310.313 1.589 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2cccc(C(=O)O)c2)n1 6269125 KAYOUBRWBHYIMB-UHFFFAOYSA-N 319.346 1.070 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)[C@H]1CCCO1 27862356 HIDIFSKFDVPNSY-DGCLKSJQSA-N 304.346 1.096 0 40 DDAB COc1ccc(OCCN(C)c2ncnc3c2cnn3C)cc1 14235417 XRDHSSBNLZVGKD-UHFFFAOYSA-N 313.361 1.887 0 40 DDAB Cc1c(CCC(=O)NCCCO)c(=O)oc2c(C)c(O)ccc12 6623759 CQGPKYJRNSQCIR-UHFFFAOYSA-N 319.357 1.547 0 40 DDAB biogenic Cc1cc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)no1 6661731 MEHVMPQSELIKMQ-UHFFFAOYSA-N 309.303 1.229 0 40 DDAB COc1ccc(CCNC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1OC 6641772 WXHPCWJKGYUVGK-DGCLKSJQSA-N 321.373 1.562 0 40 DDAB Cc1nc2cc(C(=O)OCC(N)=O)ccc2n1-c1ccccc1 6623633 LJIPHRTYQULQPW-UHFFFAOYSA-N 309.325 1.976 0 40 DDAB Cn1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)n1 14899739 RJHHSQCTAMGJBQ-UHFFFAOYSA-N 307.398 1.771 0 40 DDAB CCN1CCC(NC(=O)NCCNC(=O)OC(C)(C)C)CC1 69705274 OYKMEOXWTSMKEI-UHFFFAOYSA-N 314.430 1.295 0 40 DDAB CCCS(=O)(=O)NCCCNC(=O)c1cccc(F)c1 69739840 HATXOUOFOKETIF-UHFFFAOYSA-N 302.371 1.275 0 40 DDAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1cnn(C)c1 69744316 FSTPPICQVZELDC-INIZCTEOSA-N 317.345 1.161 0 40 DDAB CCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113966404 QAQUFIAKQKHQJS-UHFFFAOYSA-N 320.361 1.647 0 40 DDAB O=S(=O)(CCn1cnc2ccccc21)NCc1cccnc1 8746637 HPVMKFHFEWOVHF-UHFFFAOYSA-N 316.386 1.551 0 40 DDAB O=C(CN1CCc2ccccc21)NC(=O)NCC(F)(F)F 7348460 QNBMPUBSPIDVSY-UHFFFAOYSA-N 301.268 1.437 0 40 DDAB CC(C)(C)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 9515425 OYQMNBRKOXQCJW-KRWDZBQOSA-N 300.358 1.995 0 40 DDAB NC(=O)Cn1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)cn1 71899349 GKNHEKVBXVCFOU-GFCCVEGCSA-N 312.373 1.502 0 40 DDAB C[C@H](CN1CCN(C)CC1)OC(=O)COc1ccc(F)cc1 19999928 MUTDGEJUSCEJTN-CYBMUJFWSA-N 310.369 1.384 0 40 DDAB CN(CC(F)(F)F)C(=O)Cn1cnc(C2CCC2)cc1=O 89705312 PXMMPYXIMGGWMJ-UHFFFAOYSA-N 303.284 1.532 0 40 DDAB O=S(=O)(CC1CCCC1)Nc1ncn(Cc2cccnc2)n1 89794043 WNCFIEXPYVHSMB-UHFFFAOYSA-N 321.406 1.653 0 40 DDAB O=C(NCCC1=CCOCC1)N1CCC(n2cccn2)CC1 89885009 BRCMTFLJJVYANM-UHFFFAOYSA-N 304.394 1.966 0 40 DDAB COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(F)c1 72269056 AXLCXQDOGITOQR-CVEARBPZSA-N 322.380 1.506 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CN1CC1CC1 72283064 RMTQQQRGQWTQKW-ZIAGYGMSSA-N 316.405 1.374 0 40 DDAB CC(CO)(CO)NC(=O)CCc1cc(Br)cs1 97098001 FWOKAZYMILXONQ-UHFFFAOYSA-N 322.224 1.303 0 40 DDAB CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 97079830 SKRVCLXUBRNBCE-NWDGAFQWSA-N 308.353 1.374 0 40 DDAB 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CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 101621556 OLDWFSLJIGYIBN-AAVRWANBSA-N 314.451 1.353 0 40 DDAB COC(=O)c1csc(N2N=C(C)C[C@@]2(O)C(F)(F)F)n1 1415170 OKAUCLNGUNYIJS-SECBINFHSA-N 309.269 1.767 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CCc1nc(C(C)(C)C)no1 25303914 XKGUZRBXBJJYKX-UHFFFAOYSA-N 305.382 1.692 0 40 DDAB Cc1cccc(C2(C(=O)N3CCC[C@H](CNC(N)=O)C3)CC2)c1 56010867 JJUHSLYOSXDEIK-CQSZACIVSA-N 315.417 1.934 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CN2CCC[C@H]2CO1 107319608 OTYVDVJFAVFVSZ-HOTGVXAUSA-N 316.401 1.143 0 40 DDAB Cc1cnn(C[C@@H]2CN(C[C@H](O)c3ccccc3)CCO2)c1 69453386 IUVSIRYJEJFYSC-IRXDYDNUSA-N 301.390 1.626 0 40 DDAB C[C@@H]1CCN(CC(=O)Nc2nncs2)C[C@H]1n1ccnc1 108152184 ANBDWCPULNXNDH-GHMZBOCLSA-N 306.395 1.256 0 40 DDAB COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cc1 10272185 XVTQWTJCZUBMQL-ZDUSSCGKSA-N 317.370 1.441 0 40 DDAB COCCN(CCOC)S(=O)(=O)c1ccc(Cl)nc1 2177726 YDLKBAYEVYIHCM-UHFFFAOYSA-N 308.787 1.019 0 40 DDAB Cc1ccc(-c2nc(CN3CCN(CCO)CC3)co2)cc1 58282219 FTAFYYWGVQZZNE-UHFFFAOYSA-N 301.390 1.760 0 40 DDAB C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)[C@@H]1CCCO1 27869932 PZFAAWODGDSZBJ-RISCZKNCSA-N 301.346 1.080 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1C(F)(F)F 12743918 ULJOZHAWHOKEGR-SECBINFHSA-N 317.311 1.981 0 40 DDAB O=C(c1ccncc1)N1CCN(C(=O)c2cscn2)CC1 62613973 KZPHAVDJFVQNNL-UHFFFAOYSA-N 302.359 1.136 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)CC2 62640062 ZSQMPKZXMUFWOW-AWEZNQCLSA-N 322.372 1.517 0 40 DDAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1 4498207 OBTSHSJEJWQCHM-UHFFFAOYSA-N 324.446 1.930 0 40 DDAB COc1ccc(Cl)cc1C(=O)OCC(=O)N1CCNC1=O 4445087 GLKSUNQAYBMVNX-UHFFFAOYSA-N 312.709 1.057 0 40 DDAB Cc1ccc(C(=O)NCc2nc(-c3cccnc3)no2)c(=O)[nH]1 65514297 HDJLPSQLODOOKN-UHFFFAOYSA-N 311.301 1.058 0 40 DDAB COc1ccc2cc([C@H](C)C(=O)N3CCNC(=O)C3)ccc2c1 14183696 HQHWOFXBSPASJC-LBPRGKRZSA-N 312.369 1.910 0 40 DDAB CCC(=O)c1cc(Cl)ccc1OCC(=O)N1CCNC1=O 6541445 UEXLXPCZMOBEKR-UHFFFAOYSA-N 310.737 1.863 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1ccccc1-n1cncn1)CC2 69929927 LRVAVFGIMGFXKJ-AWEZNQCLSA-N 309.377 1.272 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 69925246 BUWDVQKVFRZZBT-LBPRGKRZSA-N 317.393 1.680 0 40 DDAB COc1cc(CNC2=NCCN2)cc(Br)c1OC 69951787 FBACTYMLRRSXFX-UHFFFAOYSA-N 314.183 1.515 0 40 DDAB COC(=O)/C(=C1\CCCN1)S(=O)(=O)c1ccc(F)cc1F 67340864 UCRZYAYGSDLVSW-BENRWUELSA-N 317.313 1.507 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc12 89511568 IPHWELJAYKKWAT-CABCVRRESA-N 308.341 1.654 0 40 DDAB COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1F 7268287 WRGWXSOUAANAPF-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB COc1cccc(CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1OC 71280056 CWNZWRKGAGVUNU-NWDGAFQWSA-N 307.346 1.677 0 40 DDAB CC1(C)C[C@@H](NC(=O)[C@@H](c2ccccc2)n2cnnn2)CCO1 71334115 ZICMPIYIFKBGPW-UONOGXRCSA-N 315.377 1.336 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 89857794 LTRHYFPDFUILIP-AWEZNQCLSA-N 317.389 1.807 0 40 DDAB CCSc1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cn1 71847491 VGQBWNOGEMSADY-GFCCVEGCSA-N 322.434 1.857 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 71871176 UUSROVNEXHCUNB-AWEZNQCLSA-N 320.408 1.772 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)n1cncn1 71796480 WRYHKMQVZWOJSM-UONOGXRCSA-N 302.382 1.535 0 40 DDAB CC1CCC(O)(CN2CCC(CN3CCOCC3)CC2)CC1 71922249 ORTGKLHABKRWFP-UHFFFAOYSA-N 310.482 1.972 0 40 DDAB COC(=O)c1cc(C)n(CC(=O)NCc2ccc(Cl)cc2)n1 72311114 HLBJYVOTGXQBPV-UHFFFAOYSA-N 321.764 1.948 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)NCc2cccnc2)no1 75610289 NLAOLDFUZKYKDB-ZDUSSCGKSA-N 301.350 1.226 0 40 DDAB CC[C@H](C)c1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)on1 76056646 ZUNROJMUNJOZNN-GZBFAFLISA-N 321.421 1.981 0 40 DDAB CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 76020164 CFYWBMSQCYWIFH-OLZOCXBDSA-N 319.405 1.892 0 40 DDAB CCOC(=O)c1cnc(N2CCCC[C@H]2c2nc[nH]n2)nc1C 95467655 HOSIZAZREUFFAR-LBPRGKRZSA-N 316.365 1.811 0 40 DDAB CCOC(=O)C[C@H](OC(=O)CCCNC(=O)C1CC1)C1CC1 95450061 VZMGGRGXZIKTLC-ZDUSSCGKSA-N 311.378 1.568 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2n1 95459441 UIVWTMMZKCNEQC-UHFFFAOYSA-N 319.430 1.869 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H](C)[C@@H](O)C1 95454171 MTKXATNXISNSHJ-SCVCMEIPSA-N 314.332 1.928 0 40 DDAB CCc1c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cnn1CC(C)C 95439982 MYXOTUFETAQJQX-XJKSGUPXSA-N 322.453 1.550 0 40 DDAB C[C@H](Cc1ccccc1)OC(=O)C1CC2(C1)NC(=O)NC2=O 95430682 OWYUBGUZMGKIDT-WCVRRQIGSA-N 302.330 1.149 0 40 DDAB O=C(NCCc1ccccn1)C1(n2cnnn2)CCCCC1 79474152 KDSUJDCPZIQKDD-UHFFFAOYSA-N 300.366 1.086 0 40 DDAB CC(C)n1cnc([C@H]2CNC[C@]23CCN(CC2CC2)C3=O)c1 306136416 PSSZMIVMRVVOBT-RHSMWYFYSA-N 302.422 1.780 0 40 DDAB CN1CCN(C(=O)CCC(=O)Nc2ccc(Cl)cn2)CC1 27913207 YTLDHDHBZVOJKZ-UHFFFAOYSA-N 310.785 1.228 0 40 DDAB CCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408707488 CAVFKPAYYJGGAF-UHFFFAOYSA-N 305.378 1.680 0 40 DDAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 31613240 XXXUSGLQVIKSLI-LBPRGKRZSA-N 320.414 1.631 0 40 DDAB CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cccnc1 536953903 LGFLSAWHYRTHHD-NEPJUHHUSA-N 310.350 1.571 0 40 DDAB Cn1ccc(CC(=O)NCCc2nc(-c3ccccc3)n[nH]2)n1 189787140 YHYOCEWFDVPZEB-UHFFFAOYSA-N 310.361 1.107 0 40 DDAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1c[nH]c2ncccc12 79354738 PHYDFHYXILRSIH-LLVKDONJSA-N 309.391 1.610 0 40 DDAB C[C@H](Cn1cccn1)Nc1cccc(CN2C(=O)CNC2=O)c1 121492561 WXXSBBQWOVIJMB-GFCCVEGCSA-N 313.361 1.436 0 40 DDAB Cn1cccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 79751694 NRYRKOKEANLFSN-CYBMUJFWSA-N 312.373 1.911 0 40 DDAB COc1ccc2[nH]cc(C(=O)CN(C)CC(OC)OC)c2c1 36079842 PHOYYESKEREWIF-UHFFFAOYSA-N 306.362 1.910 0 40 DDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)c1cc2ncccn2n1 72324184 ZPMCJBDYLFDBJX-NSHDSACASA-N 321.344 1.293 0 40 DDAB O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCN(CCO)C1 79411225 YFXVXJRMEUNTHG-MRXNPFEDSA-N 304.390 1.854 0 40 DDAB CN1CCN(C)[C@@H](CNC(=O)NCC(C)(C)c2cccs2)C1 79349619 ZKRFSSNZAHDWSE-ZDUSSCGKSA-N 324.494 1.571 0 40 DDAB O=C(COCc1ccccc1)N1CC[C@H](Oc2cccnn2)C1 225416355 SKOGZYFNTORKQY-HNNXBMFYSA-N 313.357 1.673 0 40 DDAB COc1ccc(Cl)cc1C(=O)N1CC(N2C(=O)CCC2=O)C1 238868149 MGFZHDNOCSRCSX-UHFFFAOYSA-N 322.748 1.322 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1Br 42645741 KCPVZJKCWLVPOT-MRVPVSSYSA-N 315.167 1.275 0 40 DDAB COCCNC(=S)Nc1nc(C)cc(N2CCC[C@@H](C)C2)n1 225899147 UTOUOOQFHKZUKO-LLVKDONJSA-N 323.466 1.954 0 40 DDAB CNc1nc(N2CCN(c3ncccn3)CC2)nc2ccccc12 41146770 IGRNVFRWJTVOHA-UHFFFAOYSA-N 321.388 1.788 0 40 DDAB CCN1C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc21 227161931 KOEMBGPUYAUCFT-UHFFFAOYSA-N 312.391 1.366 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](OCc3ccncc3)C2)nn1C 329277895 CRCDBIYIEZTYOV-CQSZACIVSA-N 300.362 1.555 0 40 DDAB CC(C)CSCCCNC(=O)N[C@@H]1C(=O)NCC[C@H]1C 193920179 AEYPYFQEZJDNMO-NEPJUHHUSA-N 301.456 1.590 0 40 DDAB Cc1noc(CN2CCN(Cc3cncn3C(C)C)CC2)n1 573439044 RMDAJPMHFQNJRY-UHFFFAOYSA-N 304.398 1.473 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccccn1 96062109 AXPIMHSQTZMPAE-LBPRGKRZSA-N 323.360 1.135 0 40 DDAB c1cnn(Cc2cn3c(n2)CN(Cc2nccs2)CC3)c1 96197327 AOBPXJOPDBZZEC-UHFFFAOYSA-N 300.391 1.600 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccc(C)o3)C2)C1 96203103 QAMAJHBNZMVFKB-OAHLLOKOSA-N 312.435 1.836 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1nnc(C(C)(C)C)o1)CC2 97200446 RWRXFQBUOQLXIH-UHFFFAOYSA-N 316.409 1.781 0 40 DDAB O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccccc1F 96413630 ICAPCESFWOEIMP-VIFPVBQESA-N 308.231 1.194 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 96181158 BBPACNFCPSVLKF-SMDDNHRTSA-N 309.435 1.335 0 40 DDAB CN(C)CCN1CC[C@H]2[C@@H]1CCN2Cc1ccc2c(c1)OCO2 96184312 GPXOGPUSWKNCEN-HOTGVXAUSA-N 317.433 1.626 0 40 DDAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N(C)C)ccc21 96183033 QMKUEGHXECQAAB-UHFFFAOYSA-N 310.419 1.971 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H](C)C(=O)O)cc1 237513933 HMLHPMNXHOETKR-WCQYABFASA-N 304.346 1.075 0 40 DDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)cn1 248137098 PCFLJUIWYAWQKO-INIZCTEOSA-N 305.422 1.828 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 257310529 UFLLZPJCNSBENB-UONOGXRCSA-N 306.410 1.259 0 40 DDAB CCCCc1nc(CN2CCO[C@](C)(C(=O)N(C)C)C2)c[nH]1 257270712 MVJGQZOQDGULNP-INIZCTEOSA-N 308.426 1.431 0 40 DDAB Cc1ccccc1CC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257298120 RKFSKROMWBFZGL-IRXDYDNUSA-N 313.401 1.959 0 40 DDAB Cc1cncc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 257335697 YLLRKCKFENEMJZ-CYBMUJFWSA-N 310.423 1.305 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257268998 MODJQGGQLJVQRA-ZDUSSCGKSA-N 316.361 1.799 0 40 DDAB Nc1nnc(CCNC(=O)c2cccc(C(F)F)c2F)o1 529114445 MJDVZMHNTNNNKM-UHFFFAOYSA-N 300.240 1.701 0 40 DDAB Cc1cc(CN2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)no1 257215929 CSHFZSUNHYADDD-LLVKDONJSA-N 324.406 1.489 0 40 DDAB Cc1nccc(C[C@@H]2COCCN(CC3(O)CCCCC3)C2)n1 257238895 HMZQNGRWTGFGSG-INIZCTEOSA-N 319.449 1.971 0 40 DDAB C[C@H](NC(=O)c1cncc(N2CCOCC2)c1)C(F)(F)F 254286894 PMULRXXNMDWKEN-VIFPVBQESA-N 303.284 1.599 0 40 DDAB Cc1ccc(CNC(=O)N2CCN(c3nccs3)CC2)cn1 46871387 MUSONEXTWYYGCC-UHFFFAOYSA-N 317.418 1.878 0 40 DDAB CN1CC[C@H](C(=O)NC[C@H](C2CCCCC2)N(C)C)CC1=O 46948966 FFGLCBOXOIWTGN-LSDHHAIUSA-N 309.454 1.482 0 40 DDAB COc1ccc(-n2ccnc2SCCC(=O)NC(N)=O)cc1 54360141 YCGBJKQQDLKGHE-UHFFFAOYSA-N 320.374 1.558 0 40 DDAB Cn1c(Cl)cnc1CNC(=O)CCN1CCSC1=O 58328599 RXIHODSBBJBTQD-UHFFFAOYSA-N 302.787 1.249 0 40 DDAB COCCN(C)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 56590896 URZPFXJVVNVQTR-UHFFFAOYSA-N 307.394 1.864 0 40 DDAB CCCN(CCO)c1ccc(C(=O)Nc2ccccc2)nn1 72293279 PLZCLJAGTZAHPO-UHFFFAOYSA-N 300.362 1.938 0 40 DDAB Cc1nsc(N2CCN(c3cc(N(C)C)ncn3)CC2)n1 892679844 RUSPJQIJACJYQW-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB O=C(NS(=O)(=O)c1ccc(Cl)cn1)C1[C@H]2CCCC[C@H]12 101500459 QVQJGKUFZWGCML-UWVGGRQHSA-N 314.794 1.976 0 40 DDAB CCN(CC)CCOC(=O)Cn1nc(C)c2ccccc2c1=O 5469589 AOUXMEWUKNOGSN-UHFFFAOYSA-N 317.389 1.590 0 40 DDAB O=C(O)C[S@](=O)CC(=O)NCc1cccc(C(F)(F)F)c1 5248916 SNCSZHAKDUJMGZ-NRFANRHFSA-N 323.292 1.155 0 40 DDAB COc1ccccc1NC(=S)N[C@@]1(C)CCS(=O)(=O)C1 5612059 JFYAYRBROWLFDM-ZDUSSCGKSA-N 314.432 1.559 0 40 DDAB O=C(NC[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1)c1ccco1 12116262 SERDIBCQTCAFDJ-NSHDSACASA-N 302.334 1.285 0 40 DDAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)N1CCOCC1 12938223 YAGUWGBPMFOMSV-LLVKDONJSA-N 303.318 1.363 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19463200 ZNDKDDDFWCYFPL-JHJVBQTASA-N 301.390 1.552 0 40 DDAB CN(C)c1ncccc1CNC(=O)[C@@H]1C(=O)NC[C@H]1C(C)(C)C 585149606 JKUUXQQYBCOKFK-CHWSQXEVSA-N 318.421 1.172 0 40 DDAB Cn1cnnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 3513001 VQNDTKHILIFDRE-UHFFFAOYSA-N 304.331 1.121 0 40 DDAB CCn1cnc2c(N3CCN(c4nccc(C)n4)CC3)ncnc21 1888885457 KAFLWOJPGLNFED-UHFFFAOYSA-N 324.392 1.271 0 40 DDAB Cc1cncc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)n1 1889139478 OSASWMLUZLVRKZ-UHFFFAOYSA-N 305.363 1.504 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 29189483 DMYLJLPXROWXQP-LBPRGKRZSA-N 322.386 1.587 0 40 DDAB CC(C)C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984108 QPHMKLGLUDKLLV-SFHVURJKSA-N 316.401 1.925 0 40 DDAB C1=C[C@H]2C[C@H]1C[C@H]2CN1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056223906 GYGBWLDYFAXOSX-WOYTXXSLSA-N 312.417 1.578 0 40 DDAB C[C@@]1(C(=O)N2C[C@H]3ON=C(C(=O)NC4CC4)[C@H]3C2)CC=CCC1 1565544376 FVDBUGVLVQDUTD-OGHNNQOOSA-N 317.389 1.225 0 40 DDAB O=C1CC[C@@]2(CCCN(C(=O)CCc3cncnc3)CC2)N1 1565547788 SFAREZOHKUWZOV-MRXNPFEDSA-N 302.378 1.071 0 40 DDAB CC(=O)[C@@H]1[C@H](c2cccc(F)c2)NC(=O)N[C@]1(O)C(F)(F)F 4009138 JHDZPJDJVWEPKT-JFGNBEQYSA-N 320.242 1.636 0 40 DDAB O=C(NC1CCCC1)[C@@H]1CCc2c(C(=O)N3CCC3)ncn2C1 2055715770 IPOIYGKQDVWOFK-GFCCVEGCSA-N 316.405 1.350 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)c1cc[nH]n1)CC2 2055845195 FMWOSZQTAIQLOP-INIZCTEOSA-N 320.393 1.043 0 40 DDAB CC(=O)Nc1ccc(NC(=O)C[C@@H](NCC(C)C)C(=O)O)cc1 5257963 XIJQHVKCJGQZBX-CQSZACIVSA-N 321.377 1.672 0 40 DDAB Cc1[nH]c2ccccc2c1CC(=O)NCCN1CCOCC1 40498709 FRFJZYMBGXSRNQ-UHFFFAOYSA-N 301.390 1.467 0 40 DDAB CC(=O)N1CCN(C(=O)c2c(Cl)nc3ccccn23)CC1 40538595 WONNRBRUDLJHBI-UHFFFAOYSA-N 306.753 1.292 0 40 DDAB CCCNC(=O)NC(=O)CSc1nc2nc(C)cc(C)n2n1 3467114 MVHCXMSOIUFILB-UHFFFAOYSA-N 322.394 1.069 0 40 DDAB O=C(Cn1cccn1)NCc1ccc(OC[C@H]2CCCO2)cc1 40534222 MUFKYNMFARIKHX-MRXNPFEDSA-N 315.373 1.757 0 40 DDAB COC(=O)CSC1=NC(=O)CC(=O)N1c1ccc(OC)cc1 100817074 FMZBSNGILITGKE-UHFFFAOYSA-N 322.342 1.221 0 40 DDAB Cc1ccc(C(=O)NC2CCN(CC(=O)NCC(C)C)CC2)o1 51097665 VIPIVBIMXXROGN-UHFFFAOYSA-N 321.421 1.554 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 4549180 DRWTXPRDXNFBBS-UHFFFAOYSA-N 322.324 1.994 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1OC 4580926 DRROKCFMXVRXHO-SSDOTTSWSA-N 314.725 1.350 0 40 DDAB CCC[C@]1(C(OC)OC)NC(=O)N(Cc2ccccc2)C1=O 4897457 GHCYUKNGFRILNP-INIZCTEOSA-N 306.362 1.896 0 40 DDAB Cc1cc(C)cc(N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 6202364 QSNCWMHGMKNAQD-ZDUSSCGKSA-N 312.435 1.983 0 40 DDAB CC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32074157 ARRHFWBJVYTCOR-OAHLLOKOSA-N 301.346 1.458 0 40 DDAB CCOC(=O)Cn1cnc2c(oc3nc(C)cc(C)c32)c1=O 32071865 MDOAPELYVVLQCT-UHFFFAOYSA-N 301.302 1.718 0 40 DDAB O=C(C[C@H](NC(=O)C(F)(F)F)C(=O)O)OCc1ccccc1 6575061 VGWUKEAKQLJWTF-VIFPVBQESA-N 319.235 1.252 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 8313124 AMYARORROARJEU-SNVBAGLBSA-N 324.377 1.357 0 40 DDAB COc1ncccc1NC(=O)NC1CCC2(CC1)OCCO2 46074050 IIKLEKQGNARLRK-UHFFFAOYSA-N 307.350 1.897 0 40 DDAB COc1ccc(/C=C2\C(=O)N=C(NC(C)=O)N2C)cc1OC 8665088 YMDDLMZABDAVIS-YRNVUSSQSA-N 303.318 1.009 0 40 DDAB Cc1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)n2ncnc2n1 96481129 RMBMEXMETLVMSA-FZMZJTMJSA-N 305.407 1.899 0 40 DDAB Cc1noc(C)c1C[C@H](C)NC(=O)NCCOc1cccnc1 96415531 AQPWWOWBRYQFSW-NSHDSACASA-N 318.377 1.996 0 40 DDAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCC(N)=O 9188285 HZARCWUSTUSZKU-LLVKDONJSA-N 324.402 1.003 0 40 DDAB O=C1CN(C(=O)CSc2ccc3ccccc3n2)CCN1 9659014 ZEAZQPWTHVNOIC-UHFFFAOYSA-N 301.371 1.285 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 100634659 DOEYEWKFJDCWRZ-JTOWHCCKSA-N 313.353 1.184 0 40 DDAB COCCCNC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 89893872 WEYZSICAQZHKHN-AATRIKPKSA-N 318.377 1.471 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(=O)NCC2CC2)C1 52931067 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DDAB CCOC(=O)[C@@H]1Sc2c(c(=O)n(C)c3ccccc23)C1=O 104232030 QELINHNPPVGWTK-CYBMUJFWSA-N 303.339 1.759 0 40 DDAB Cc1ccc(N2N=C(C(=O)NCc3ccco3)NCC2=O)cc1 24647506 UGPAALUBMVJSQL-UHFFFAOYSA-N 312.329 1.154 0 40 DDAB Cc1ccc(-n2cc(C(=S)N3CCOCC3)nn2)c(O)c1 1417898 RQRAERHTSJFSNA-UHFFFAOYSA-N 304.375 1.289 0 40 DDAB C[C@@H](CS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C)c1ccccc1 107154945 VJAZAADKJFOWGA-ZFWWWQNUSA-N 324.446 1.673 0 40 DDAB COc1ncccc1CNC(=O)NCc1ccc2c(c1)OCO2 26384780 FGIUZDNYXWSBCJ-UHFFFAOYSA-N 315.329 1.818 0 40 DDAB Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3297012 FEPAIGQVUBICSL-UHFFFAOYSA-N 314.297 1.793 0 40 DDAB CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1 58291462 MHWXZWTVBQOJJK-UHFFFAOYSA-N 307.394 1.217 0 40 DDAB Cc1cc(CNC(=O)NC[C@@H]2COc3ccccc3O2)on1 58211869 DBQMIEKROFCMMR-GFCCVEGCSA-N 303.318 1.622 0 40 DDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccncc1 58268195 FMQZMUFRAOBHLF-INIZCTEOSA-N 304.438 1.570 0 40 DDAB COCCOCCC(=O)Nc1cccc(N2CCNC2=O)c1 58209987 JCQGKHYXICTCJC-UHFFFAOYSA-N 307.350 1.208 0 40 DDAB CCCCN(CC)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 44908306 GVBWJJZSWFZAPL-HNNXBMFYSA-N 319.405 1.388 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1ccnc(-n2cncn2)c1 58391879 RWSYOVRAABKEOS-GFCCVEGCSA-N 301.350 1.161 0 40 DDAB COCCNC(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1 36360245 NAUQGKMQWZYLLF-UHFFFAOYSA-N 324.340 1.157 0 40 DDAB COc1ncccc1NC(=O)NCCN1CCCCCC1=O 48229616 RLYROPMFVMKWCS-UHFFFAOYSA-N 306.366 1.614 0 40 DDAB O=C1CN(c2nc(-c3ccncc3)nc3ccccc23)CCN1 48234820 XRYHSBZFBIOUMX-UHFFFAOYSA-N 305.341 1.628 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H](O)c1ccc(F)cc1F 48364780 FFEHTWNSCXHUIK-AWEZNQCLSA-N 324.331 1.584 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(F)(F)F)C2=O 3550879 AJAHGIVMAPHZOZ-PRHODGIISA-N 321.299 1.166 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccccn1 13072073 SKILZLKLDZFAQH-SNVBAGLBSA-N 306.343 1.819 0 40 DDAB CC(C)(C)C(=O)NCCC(=O)N1CCC(CN2CCCC2)CC1 49074438 QIOAVGRYOZUSIF-UHFFFAOYSA-N 323.481 1.873 0 40 DDAB CN1CCC2(CC1)OCCN2C(=O)COc1ccc(F)cc1 13691884 TZKDHHUXPSADSZ-UHFFFAOYSA-N 308.353 1.485 0 40 DDAB CCc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O 5129426 DNQQBTFDTWJTMB-UHFFFAOYSA-N 311.407 1.533 0 40 DDAB CCc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 69517904 MQFKPJVFNWBMLT-QWHCGFSZSA-N 320.393 1.637 0 40 DDAB COc1cc(N[C@@H]2CCCN(C(=O)c3ccco3)C2)ncn1 65369749 MTSVGEXWOUHHTQ-LLVKDONJSA-N 302.334 1.795 0 40 DDAB O[C@H](COCc1ccco1)CN1CCC(Cn2cccn2)CC1 65589490 WXKFMNVYHBFEGQ-INIZCTEOSA-N 319.405 1.766 0 40 DDAB CN(CC(=O)N1CCCC1)C(=O)c1ccc(N(C)C)c(F)c1 65565616 IRIBCUBPHAZXKG-UHFFFAOYSA-N 307.369 1.586 0 40 DDAB CCc1c(C(=O)N2CCC(CC(N)=O)CC2)cnn1C(C)(C)C 65520358 MFJFMCIDWVWGBJ-UHFFFAOYSA-N 320.437 1.928 0 40 DDAB O=C(O)CC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)O 14162537 YIPVZWDTHNZXOZ-AWEZNQCLSA-N 315.325 1.817 0 40 DDAB O=C(CN1CCN(C(=O)/C=C/c2cccs2)CC1)NC1CC1 14182664 ARCZCCDHVPCPRB-AATRIKPKSA-N 319.430 1.184 0 40 DDAB Cc1c(C)n(COCCOc2ccc(Cl)cc2)c(=O)[nH]c1=O 4697960 FJDSBMZBSJXATC-UHFFFAOYSA-N 324.764 1.860 0 40 DDAB c1cc(CNC[C@H]2CN(C3CC3)CCO2)c2c(c1)OCCCO2 69872847 VILAICZRRIFTIL-INIZCTEOSA-N 318.417 1.801 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(Cl)c3)[C@@H]2C1 6662596 VAUSUEMCZPTJJV-NXEZZACHSA-N 302.808 1.200 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)CS(=O)(=O)C(C)C)C1 69894932 SGBUQYINCCBQMJ-ZDUSSCGKSA-N 313.423 1.178 0 40 DDAB CC[C@H](NC(=O)CSc1nnnn1C)c1ccc(C)cc1 6851196 NYEHROVSVNYDHC-LBPRGKRZSA-N 305.407 1.878 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H]1Cn1cccn1 69951907 ARQSIRFQWLCPEC-OAHLLOKOSA-N 323.360 1.164 0 40 DDAB CS(=O)(=O)c1ccc(Br)c(S(C)(=O)=O)c1 15021291 HVZSYPWJDNQYQL-UHFFFAOYSA-N 313.194 1.256 0 40 DDAB CC(C)c1nnc2n1CCN(Cc1cnn(-c3ccccc3)n1)C2 69926592 LEQOBWBGBFFRRS-UHFFFAOYSA-N 323.404 1.998 0 40 DDAB Cc1cc(N2CCC(C(N)=O)CC2)c(S(C)(=O)=O)cc1F 15443637 QMKNLAWLBTYYAP-UHFFFAOYSA-N 314.382 1.239 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)no1 67940014 RRXBFSIOGBBRKA-VXGBXAGGSA-N 303.366 1.796 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCC(N2CCCC2=O)CC1 90603410 WUBHZFMNQYQABI-UHFFFAOYSA-N 303.362 1.779 0 40 DDAB O=C(O)c1ccc(COc2ccccc2P(=O)(O)O)cc1 9306259 XNWYRTVGHIAHPO-UHFFFAOYSA-N 308.226 1.767 0 40 DDAB COc1ccc(O)c(C(=O)OCC(=O)N2CCCC[C@H]2C)c1 9516263 HGNLBHWPEAUFPC-LLVKDONJSA-N 307.346 1.959 0 40 DDAB O=C(c1ccc2nncn2c1)N1CCCC[C@H]1Cn1cccn1 71865407 VTONTDXYCLBFLW-AWEZNQCLSA-N 310.361 1.621 0 40 DDAB COc1cccc(CNC[C@H]2CNc3ccnn3C2)c1OC 71888643 VEJFTHRMJITNPU-LBPRGKRZSA-N 302.378 1.732 0 40 DDAB CCCCOc1ccc(C(=O)N[C@H](C(=O)OC)[C@H](C)O)cc1 71921336 ZDBCWKFXHZUSPI-FZMZJTMJSA-N 309.362 1.518 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 72282400 FTNOAGDJAFQXCS-SWLSCSKDSA-N 312.410 1.824 0 40 DDAB Fc1cccc2[nH]c(CN3CCO[C@H](Cn4cncn4)C3)nc12 72253407 DKLRIYHJUQOWHQ-NSHDSACASA-N 316.340 1.195 0 40 DDAB C[C@H]1CN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 72255180 FFDSCHLZJNJDNE-VNHYZAJKSA-N 306.410 1.193 0 40 DDAB CC[C@@H]1CN(CCC(=O)N2CCCCC2)CCN1C[C@@H](C)O 72279765 DLKCXXKKPXZEDD-HZPDHXFCSA-N 311.470 1.166 0 40 DDAB O=C(c1ccc(Cl)cn1)N1CCC[C@H]1CN1CCOCC1 76066814 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CCCCN(CCCN1C(=O)c2ccccc2C1=O)CC(N)=O 48048620 OAVIAXICQWXOHI-UHFFFAOYSA-N 317.389 1.260 0 40 DDAB O=C(c1cc(Cl)c[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 54455427 JFYKSLYCRKHUQF-GFCCVEGCSA-N 311.769 1.132 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cc2cccs2)C1 76019344 OBOUFMLINILNFG-PWSUYJOCSA-N 301.433 1.763 0 40 DDAB CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCCC1 77154900 PZYSXFUPIRVGKC-RYUDHWBXSA-N 303.424 1.011 0 40 DDAB O=C(CSCc1ccn(-c2ccccc2)n1)N1CCOCC1 95351486 OQAOBIFENPARMW-UHFFFAOYSA-N 317.414 1.964 0 40 DDAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC(n2nccn2)C1 888107146 RIHAZAYRZMQTAN-UHFFFAOYSA-N 308.345 1.220 0 40 DDAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccn1 5322696 OWRIGHCUFISMEC-UHFFFAOYSA-N 310.309 1.883 0 40 DDAB biogenic COc1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5681305 MFZOWZPEDIGLEY-UHFFFAOYSA-N 311.345 1.680 0 40 DDAB CCS(=O)(=O)N1CCCc2cc(C(=O)NC3CC3)ccc21 13610375 RCQOEVTYFHWIGN-UHFFFAOYSA-N 308.403 1.681 0 40 DDAB NC1=N[C@H](c2ccccc2)C2=C(N1)C(=O)N(Cc1ccccc1)C2 17004552 SAKFLHFWZQOFAC-MRXNPFEDSA-N 318.380 1.942 0 40 DDAB COCCN1CCOc2nc3cc4c(cc3cc2C1)OCO4 19593443 YJYXGMMQGHSKRY-UHFFFAOYSA-N 302.330 1.804 0 40 DDAB Cn1cc(CN2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 19746808 VGJFINJUBKHOTG-MRXNPFEDSA-N 306.410 1.070 0 40 DDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 19972532 RRXPLPUVGDBFRX-OAHLLOKOSA-N 315.373 1.763 0 40 DDAB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 169314103 KPRWGJNSDYUMCT-RMHZUWNSSA-N 313.309 1.638 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1ncccc1F 528575301 RSAUOYUVUNWNKX-QMMMGPOBSA-N 312.370 1.611 0 40 DDAB Cn1cncc1CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 643913877 JYYAXCQTYRKEHN-PBHICJAKSA-N 303.381 1.985 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 5773186 LWWHFGBHSTUVNO-QMMMGPOBSA-N 310.375 1.485 0 40 DDAB Cc1nccc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889095567 ZPMCJCJLCPBAQP-ZDUSSCGKSA-N 306.435 1.577 0 40 DDAB Cc1c(Br)c([C@H](O)CCN2CCOCC2)nn1C 1565504951 YLNJILTXZKYQBY-SNVBAGLBSA-N 318.215 1.247 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2[C@H](CC(=O)N(C)C)OC[C@H]2C1 1565552705 TWUIHZSPUFIEAG-FMKPAKJESA-N 321.421 1.607 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1 2622091 AIRNVSMLCFKUHW-UHFFFAOYSA-N 311.135 1.537 0 40 DDAB Cc1ccccc1OCC(=O)Nc1nnc(-c2ccnn2C)o1 38488062 MOCXNFOKGIWQCQ-UHFFFAOYSA-N 313.317 1.796 0 40 DDAB COC(=O)CCCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225716675 PDCBQBQBKUKHBW-GFCCVEGCSA-N 324.402 1.649 0 40 DDAB COCCNC(=S)NCCc1cc2ccc(C)cc2[nH]c1=O 9683888 SRYQINQFIWVBSG-UHFFFAOYSA-N 319.430 1.490 0 40 DDAB COC(=O)CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 50024417 MPDLWQCIWRIPFL-MRXNPFEDSA-N 318.417 1.968 0 40 DDAB Cc1nn(C)c(C)c1CNCc1cccnc1N1CCOCC1 30901661 VWNMJVANSRLBDR-UHFFFAOYSA-N 315.421 1.558 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)cc1 65582 PHVZBYRDUUQLGL-GFCCVEGCSA-N 301.306 1.144 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl 40497132 QWXOKPALMCEEOE-QMMMGPOBSA-N 305.758 1.644 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cnn(Cc2ccccc2)c1 40521641 BRZRACBGMKGNSP-HNNXBMFYSA-N 312.373 1.330 0 40 DDAB O=C1O[C@@H](C(=O)Nc2nnc3ccccn23)Cc2ccccc21 31739036 RWKBATIEXUPVIW-GFCCVEGCSA-N 308.297 1.450 0 40 DDAB Cc1cccn2c(=O)cc(CSc3nc(N)cc(N)n3)nc12 31819489 FKUPFBHPMMDYNP-UHFFFAOYSA-N 314.374 1.250 0 40 DDAB COCCNC(=O)CSc1ccc(-c2ccccc2)nn1 4966274 DPCMRSMYQKVTKZ-UHFFFAOYSA-N 303.387 1.998 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 36733728 CAXONQXTJLNAQX-QMMMGPOBSA-N 304.272 1.376 0 40 DDAB COc1ccc(OC)c(NC(=O)c2c(C(=O)O)cnn2C)c1 20614968 CVWNKLPWGWXAFP-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCc1ccc(Cl)cc1 6730324 IDXMKYCWWSEGFT-RFGFWPKPSA-N 321.760 1.653 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@H]3COc4ccccc4C3)nn12 45785471 LIAZSVVCGYMAIF-GFCCVEGCSA-N 309.329 1.166 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@H](C)O1 11560758 NYSLAIBPWBLTPS-QWRGUYRKSA-N 312.391 1.308 0 40 DDAB Cc1nnc(S[C@@H](C(N)=O)c2ccccc2)c(C(N)=O)c1C 36835063 VIDHTMLLRVJIER-GFCCVEGCSA-N 316.386 1.511 0 40 DDAB CN(CC(=O)N1CCc2ccccc2C1)c1ncnc2[nH]cnc12 45978406 HZFGZUUSWPEBEQ-UHFFFAOYSA-N 322.372 1.374 0 40 DDAB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccn2)n2ncnc2N1 10157102 UXWJACQJKUHFAT-HNNXBMFYSA-N 324.388 1.975 0 40 DDAB Cc1ccccc1N1C(=O)C[C@@H](N2CCCC[C@@H]2CCO)C1=O 8559270 DUICHBGQRWGBKF-GDBMZVCRSA-N 316.401 1.864 0 40 DDAB Cc1ccccc1-n1nc(CO)c(C(=O)NCc2ccccc2)n1 21172502 YIAUBMOAKWAVMJ-UHFFFAOYSA-N 322.368 1.998 0 40 DDAB CCNC(=O)NC(=O)CNc1cccc(OC[C@H]2CCCO2)c1 32776687 VXMNYLHZXYGNEI-CQSZACIVSA-N 321.377 1.502 0 40 DDAB CC(C)C(=O)NCCCNC(=O)NC[C@H]1Cc2ccccc21 96485001 SFJIQPXQRPLOGB-CQSZACIVSA-N 303.406 1.788 0 40 DDAB O=C(CS(=O)(=O)Cc1c(F)cccc1Cl)NCC1CC1 32929779 VEDWBHBDQWAQGO-UHFFFAOYSA-N 319.785 1.920 0 40 DDAB Fc1cnc(N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)nc1 107192642 UVRMLSLXOPJSMP-CQSZACIVSA-N 306.385 1.839 0 40 DDAB NC(N)=CC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1 100187681 DIRKQUZLAATZLJ-UHFFFAOYSA-N 323.396 1.762 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@@H]2C3(CC3)[C@@H]1[C@]13O[C@]21[C@@H]1CC[C@@H]3C1 104295327 XUXJNGQUNVJARC-IERLYGOZSA-N 316.353 1.607 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccccc1F 23886951 HLQDKZACYVHKNV-ZDUSSCGKSA-N 314.382 1.256 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCc3c2cnn3C)C1 47490570 CUNZCEGUGHOOLP-JSGCOSHPSA-N 304.394 1.172 0 40 DDAB COc1ccc2nc(CCNC(=O)Nc3nncs3)[nH]c2c1 55568954 IXFYKBIBNOGBHM-UHFFFAOYSA-N 318.362 1.787 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)C1=COCCO1 3235563 BHNVFJOWCQIQHP-ZDUSSCGKSA-N 319.357 1.555 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)N1CCCC1=O 3368468 BHAYNOIWXCNQBV-UHFFFAOYSA-N 314.341 1.793 0 40 DDAB CCc1nnc(SCC(=O)NCc2ccccc2F)n1C 58281457 SDNFSJUOXWIEHO-UHFFFAOYSA-N 308.382 1.925 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(-c2ncccn2)noc1=O 58283321 MNLPHBUFIGLETE-QWRGUYRKSA-N 317.349 1.083 0 40 DDAB CCN1C(=O)C(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O 58246626 DMMKQJVYKCQOHD-UHFFFAOYSA-N 316.292 1.322 0 40 DDAB CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58292134 PTKLZTQXTJCLDV-GFCCVEGCSA-N 323.422 1.717 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)c1ccccc1SC[C@@H]1CCCO1 44979583 VVXDLDPEEMWFLD-NEPJUHHUSA-N 322.430 1.822 0 40 DDAB CN(Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 44971789 DKLAGMABOLQFDE-CYBMUJFWSA-N 315.377 1.880 0 40 DDAB CCOc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCOCC2)cc1 48286765 WSRULADHSXWORL-ZIAGYGMSSA-N 306.406 1.983 0 40 DDAB Cc1nn(C)c2ncc(CN[C@H](C)CN3CCOCC3)cc12 48353492 UJGIBLXEHZKGPL-GFCCVEGCSA-N 303.410 1.087 0 40 DDAB CCOc1ccc(CN(C)c2ccc3nnnn3n2)cc1OC 12881836 MFHHIOFMERBOFP-UHFFFAOYSA-N 314.349 1.563 0 40 DDAB Cc1ccccc1OCCOC(=O)c1nc2nccc(C)n2n1 3411940 PLQPTMHEHSJCID-UHFFFAOYSA-N 312.329 1.977 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCc1nnc2n1CCC2 12938454 RQTLKZQAEDGFAM-UHFFFAOYSA-N 306.753 1.816 0 40 DDAB C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)NC1CCCC1 12938721 XMDQYRNDBOKMBK-NSHDSACASA-N 322.361 1.390 0 40 DDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1CCCO1 7734623 LRBDDBIIIVLPSR-AWEZNQCLSA-N 308.353 1.469 0 40 DDAB COc1ccc(-n2c(NN)nc3ccccc3c2=O)c(OC)c1 408712838 VTRIKHMMYUPUBA-UHFFFAOYSA-N 312.329 1.689 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)C2)c1 69415708 ZEHRNFUBVFDCQB-OAGGEKHMSA-N 313.405 1.892 0 40 DDAB Cc1cccc2nc(C(=O)N3CCN(c4ncccn4)CC3)cn12 7942610 VXYUPLHQYGNHOV-UHFFFAOYSA-N 322.372 1.395 0 40 DDAB O=C(O)CCCN1C(=O)C(=O)c2cc(Br)ccc21 13609182 JLXXAJIPXXKSNH-UHFFFAOYSA-N 312.119 1.843 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1=NNC(=O)CC1 4334181 PHIWMMIULRHQMB-UHFFFAOYSA-N 313.313 1.468 0 40 DDAB O=c1[nH]cnc2c1C(c1ccc(F)cc1)c1c(nc[nH]c1=O)O2 13943959 HXHOMJGZVQXHSN-UHFFFAOYSA-N 312.260 1.278 0 40 DDAB CN(C)Cc1ccc(CNC(=O)NCCc2cnn(C)c2)cc1 65499336 PUIQNGCVKZLZMH-UHFFFAOYSA-N 315.421 1.524 0 40 DDAB O=C(Cn1nnc2ccccc21)NC[C@@H]1COc2ccccc2C1 65552176 PWEMETHODWFTTR-CYBMUJFWSA-N 322.368 1.799 0 40 DDAB CCCNS(=O)(=O)c1cc2c3c(c1)c(C)cc(=O)n3CC2 4520654 LUKXHLLVDMDQSC-UHFFFAOYSA-N 306.387 1.554 0 40 DDAB CC(=O)N1CCc2cc(NC(=O)Cn3ccccc3=O)ccc21 14214448 YLFYOVYXJBKZDF-UHFFFAOYSA-N 311.341 1.396 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)CCCNC(N)=O)cn2)n1 69383711 DLMDCEGALMFERD-UHFFFAOYSA-N 316.365 1.271 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccccc1N1CCCC1 8341290 YHXUFBQHHDKUKM-AWEZNQCLSA-N 304.394 1.918 0 40 DDAB C[C@H](SCC(=O)N1CCN(c2ccccc2)CC1)C(=O)O 6831300 ZLCQZEVFZFLZAM-LBPRGKRZSA-N 308.403 1.542 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(Cl)cn1 5895317 AUWFXLDHJKYCEL-MRVPVSSYSA-N 312.709 1.493 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(N)=O)CC2=O)c1C 5933176 MCPFEFWBFIDJPO-VXGBXAGGSA-N 304.346 1.073 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2nnnn2C2CC2)n1 69601569 AMQTXDBICCCUCB-CQSZACIVSA-N 316.413 1.271 0 40 DDAB COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(C)nc2)C1 69895288 CJPKDEINXIBKIR-ZDUSSCGKSA-N 306.366 1.420 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 15398708 KFXSQJHQBJFJIE-HNNXBMFYSA-N 307.325 1.117 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1c(CC)noc1C)C2 69971830 WXTXQXVBCGOBEN-UHFFFAOYSA-N 315.377 1.966 0 40 DDAB COCCN1CCN([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 69951592 BPMJFNMCFIPLJX-INIZCTEOSA-N 323.481 1.646 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)NCc1ccco1)OCC(=O)N2 20491737 WNWKWCPGHWBPPH-UHFFFAOYSA-N 322.342 1.397 0 40 DDAB Cc1ccc(NC2CCN(C(=O)[C@H](C)n3cccn3)CC2)nn1 69920444 HIZUOCXADMFJMN-ZDUSSCGKSA-N 314.393 1.646 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCn2ncnc21 71826673 RMUGODQQSZFDNR-ZWNOBZJWSA-N 300.318 1.243 0 40 DDAB O=C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCN1 71841793 LBJUFXNGASZSKH-MRXNPFEDSA-N 315.417 1.247 0 40 DDAB COc1ccccc1CN1CCc2cc(S(N)(=O)=O)ccc21 9157768 DRBPOPCIHQSZFR-UHFFFAOYSA-N 318.398 1.905 0 40 DDAB CN1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 110687550 BHYRYNKDWUBKTK-QWHCGFSZSA-N 316.323 1.607 0 40 DDAB C[C@H]1CN(C(=O)CCn2cncn2)C[C@H](c2ccccc2)O1 71827209 LOKHYWAQSBPURB-DZGCQCFKSA-N 300.362 1.657 0 40 DDAB C[C@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCNC1=O 9494449 FBILHJMCTWFIRD-VIFPVBQESA-N 322.386 1.724 0 40 DDAB COCC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCOC2)cc1 83897837 SPTJWECDDZQPNI-LLVKDONJSA-N 313.375 1.082 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNc2nccn3cnnc23)c1 76017826 BSJAMAWPRRYPIG-LBPRGKRZSA-N 315.333 1.287 0 40 DDAB O=C1NN=C(CS(=O)(=O)c2ccccc2)Oc2ccccc21 9614865 YLIKEVIINPYNLL-UHFFFAOYSA-N 316.338 1.596 0 40 DDAB Cn1ncc(N[C@H]2CCCC[C@@H]2CO)c(Br)c1=O 76065110 PALYHOJUSFVVIG-BDAKNGLRSA-N 316.199 1.506 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1c1nncn1CC(C)C 71915821 QQLBJYAMSPGNGK-GFCCVEGCSA-N 300.428 1.811 0 40 DDAB CCc1ccc(N2CCN(CCN3CCOCC3)CC2)cc1 76060810 AKPNTYCQINTUFF-UHFFFAOYSA-N 303.450 1.703 0 40 DDAB Cc1cc(CN2CC[C@H](N(C)Cc3nnc(C)n3C)C2)no1 84117048 GLKSZMXKUFSCIA-AWEZNQCLSA-N 304.398 1.126 0 40 DDAB COCCN1CCN(CC(=O)NCCC2=CCCCC2)C[C@@H]1C 72279847 HPNCVKYYYOCHRN-INIZCTEOSA-N 323.481 1.646 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269153 SVZMNFCBKCABSR-VXGBXAGGSA-N 324.343 1.013 0 40 DDAB CCC(CC)c1cc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)on1 72295692 JPONGAXYLSGCFB-OAHLLOKOSA-N 320.349 1.002 0 40 DDAB OCc1ccc(CNC[C@@H](c2cccs2)N2CCOCC2)o1 72298312 TYQYNBZLSYBFMA-HNNXBMFYSA-N 322.430 1.997 0 40 DDAB Cc1cc(C)c(CNC(=O)CCOCC(F)(F)F)c(=O)[nH]1 72274675 VPBUMRDWNGDHHX-UHFFFAOYSA-N 306.284 1.577 0 40 DDAB CC[C@@H](OC)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1=O 78814202 DLNLOQUNVHHAPR-UONOGXRCSA-N 308.353 1.862 0 40 DDAB Cc1cc(F)cc2c(=O)c(C(=O)N[C@]3(C)CCOC3)c[nH]c12 97032124 FFJYRTFJNRDWHS-MRXNPFEDSA-N 304.321 1.884 0 40 DDAB CN1CCc2ccc(C(=O)NCCC(=O)Nc3cccnc3)cc21 97097232 BAAZVUFLDSRNDT-UHFFFAOYSA-N 324.384 1.833 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)Cc1ccccc1 97107094 QLCDGRFKSBAQDC-CYBMUJFWSA-N 313.419 1.832 0 40 DDAB COC(=O)[C@@H](NC(=O)c1nc2ccccn2c1F)C(C)(C)C 72310379 QCDJWSFABHIXQU-LLVKDONJSA-N 307.325 1.791 0 40 DDAB c1ccc(-n2nnnc2CN2CCC(c3cn[nH]c3)CC2)cc1 97203297 BHYGTVSYEVJLTR-UHFFFAOYSA-N 309.377 1.765 0 40 DDAB O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)C(F)(F)F 97378046 ZSJXYYDIRWINDU-MNOVXSKESA-N 316.279 1.463 0 40 DDAB CCc1nc(CNc2ccc(-n3cc(CO)nn3)cc2)no1 97377644 MTPGCLJHWCGICV-UHFFFAOYSA-N 300.322 1.317 0 40 DDAB CC(C)C[C@@H](CNC(=O)CC(=O)Nc1nccs1)N(C)C 95397198 LAGZEOBFJWHYEZ-NSHDSACASA-N 312.439 1.564 0 40 DDAB Cn1nnc2cc(C(=O)OCCc3ccc(F)cc3)cnc21 95468950 VIQMVUSKVACDAG-UHFFFAOYSA-N 300.293 1.902 0 40 DDAB Cn1nccc1CNC(=O)NCCc1nc2c(s1)CCCC2 95451673 OAWLHJDACFUOCH-UHFFFAOYSA-N 319.434 1.797 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)cc1N(C)C 95441156 AZOMEZIXEZDDBM-WFASDCNBSA-N 312.435 1.500 0 40 DDAB CCc1nnc([C@@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 95961703 IEOGQVUSVFEMKO-ZJUUUORDSA-N 318.381 1.395 0 40 DDAB CCOC(=O)C(O)(C(=O)OCC)c1ccc(N(CC)CC)cc1 3845375 RFJHRDCTSLESHN-UHFFFAOYSA-N 323.389 1.847 0 40 DDAB biogenic CCCNC(=O)Cn1nc(-c2nccc3ccccc23)oc1=O 72346469 VJKUQBMRXYAHIO-UHFFFAOYSA-N 312.329 1.578 0 40 DDAB O=C(N[C@]1(CO)COc2ccccc2C1)[C@@H]1CC1(Cl)Cl 529819515 JEXUBKVAIZEXMV-GXFFZTMASA-N 316.184 1.663 0 40 DDAB C[C@]1(C(=O)NCCCn2ccnc2)Oc2ccccc2NC1=O 36354608 PJTKMEPSXZZGAC-MRXNPFEDSA-N 314.345 1.179 0 40 DDAB O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(C2CCOCC2)nn1 558553687 TYBUVDZALURWGF-LLVKDONJSA-N 318.299 1.700 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc23)C1 77140290 QBJSSMJDYCXIHK-GHMZBOCLSA-N 321.402 1.649 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C1(CO)CO 218374112 KEVJQDACSWWOLC-NWDGAFQWSA-N 304.795 1.212 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCc2nc(C)no2)c(Cl)c1 77818111 GKUSQYNIKYBMFN-UHFFFAOYSA-N 308.725 1.595 0 40 DDAB CN(CCN(Cc1ccccc1)S(C)(=O)=O)c1cnn(C)c1 192056008 FZNJCIZICHFZHV-UHFFFAOYSA-N 322.434 1.318 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 195544804 NBXJKFPIDZMLAM-CVEARBPZSA-N 314.389 1.206 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)C(=O)N[C@H](C)c1ccccc1 75157612 ANOIMUKINLULRV-MLGOLLRUSA-N 324.446 1.484 0 40 DDAB C[C@H](NC(=O)Cn1cnnn1)c1cccc(N2CCCC2)c1 88217835 DODSDLRRGAPLJD-LBPRGKRZSA-N 300.366 1.151 0 40 DDAB O=C(CCn1ncc2ccccc21)NCCCN1CCOCC1 40768973 WTIBWBXBCDSVDN-UHFFFAOYSA-N 316.405 1.265 0 40 DDAB Cc1ccc(CN2CC[C@H](NC(=O)c3cc(C)no3)C2=O)cc1 191622399 DJRRTQDWBZASHE-AWEZNQCLSA-N 313.357 1.822 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ccc3ccccc3n2)C1 195571593 VEBACVVTIXWFMB-ZDUSSCGKSA-N 305.403 1.753 0 40 DDAB CCc1cnc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)nc1 96202618 RQPZARDHFQQYNC-UHFFFAOYSA-N 322.434 1.043 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccccc1 96296107 WRGJXQHJQPDYSG-ZACQAIPSSA-N 318.417 1.467 0 40 DDAB biogenic,in-vitro CCOC[C@H]1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21 96060337 NKENEMILJGWMOF-GFCCVEGCSA-N 313.423 1.188 0 40 DDAB c1cnc2c(c1)nc1n2[C@@H](CNCc2nccs2)COC1 96112800 GLULCGYDXOQSBG-JTQLQIEISA-N 301.375 1.749 0 40 DDAB biogenic,in-vitro O=C(CC1CC1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96226534 DVRJHTGWZIXZFQ-QGZVFWFLSA-N 316.405 1.475 0 40 DDAB C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(N)=O 96414275 XDEOPRCGILUYDN-VIFPVBQESA-N 302.296 1.828 0 40 DDAB c1cnc(N2CCC3(CCN(C4CCOCC4)CC3)C2)nc1 96157545 FCMNFOIZNZHZAH-UHFFFAOYSA-N 302.422 1.948 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1=O 96223938 LPWMUAWEWCTONC-MRXNPFEDSA-N 309.410 1.163 0 40 DDAB CN(C)C(=O)c1nc2c(s1)CCN(Cc1cnn(C)c1)CC2 96187572 JATZRVHDHYATOU-UHFFFAOYSA-N 319.434 1.179 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1cnccn1 96062059 SWGCJCWIBJFHRH-LBPRGKRZSA-N 323.360 1.135 0 40 DDAB c1cnc(N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)nc1 96040947 VJWVTJYJDAGQDH-PMPSAXMXSA-N 312.373 1.825 0 40 DDAB C/C(=C/c1ccc(F)cc1)C(=O)NCCCNS(C)(=O)=O 96454182 ARFDPICXGQZLSW-KHPPLWFESA-N 314.382 1.285 0 40 DDAB CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H](CCC(C)C)C1 96486929 KFQNHSBYUKYSCC-HZPDHXFCSA-N 310.438 1.909 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3ccoc3)C[C@H]21 96081725 VQOMNHVJSZLGJZ-SJORKVTESA-N 317.389 1.970 0 40 DDAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)C3CC3)ccc21 96182188 GYYYOVJPYLYOPM-UHFFFAOYSA-N 316.357 1.832 0 40 DDAB COCCN1CC2(CCN(CC3CCC3)CC2)[C@@H](COC)C1=O 96209089 MGWFNRLQTWKLNP-INIZCTEOSA-N 324.465 1.620 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@@H](O)c1ccc(Cl)cc1Cl 96522018 CQZWPJUFSXKOTD-QWRGUYRKSA-N 313.202 1.822 0 40 DDAB C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(-c2nnnn2C)c1 96427927 ASUIOZVGSPGPFV-MFKMUULPSA-N 321.406 1.344 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1c1ncccc1C(F)(F)F 96455840 HYVQAPXJASTNDG-SECBINFHSA-N 323.340 1.618 0 40 DDAB CNc1cc(C)nc([C@H]2CN(CC3(O)CCOCC3)CCO2)c1 257246323 ITPJBKZIFSYHTA-MRXNPFEDSA-N 321.421 1.347 0 40 DDAB CN(C(=O)c1cccc(F)c1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257205562 AZQRWIKSBWLLLV-BZUAXINKSA-N 306.381 1.885 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C)c[nH]3)C2)nc(O)n1 257300420 RUEJYRSETJHWRC-LLVKDONJSA-N 301.350 1.542 0 40 DDAB Cc1cnc(C2(C)CCN(S(=O)(=O)N(C)C)CC2)s1 257210951 BWVODNCCJHFVNJ-UHFFFAOYSA-N 303.453 1.611 0 40 DDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 257254212 KCEZGCSEQXVRBR-CQSZACIVSA-N 314.393 1.547 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257266112 MBQCTSBJXIPGJN-LBPRGKRZSA-N 319.386 1.695 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257314071 UVERBMOBLLSTEL-LLVKDONJSA-N 307.785 1.595 0 40 DDAB CNC(=O)CCc1cc([C@H]2CCCN(CCOC)C2)nc(C)n1 257245471 IPQWSOKRNHDDFX-AWEZNQCLSA-N 320.437 1.289 0 40 DDAB COCCC(=O)N1CC[C@H](O)[C@@H](Oc2cccc(OC)c2)CC1 257303440 SHGMCEZSTUQYIJ-HOTGVXAUSA-N 323.389 1.462 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)COc1ccc(F)cc1 257294788 QVSZOIFIVYLKLY-CQSZACIVSA-N 319.336 1.836 0 40 DDAB C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)[C@H]1CO 252522941 BMGOAXMGYZLOCX-YCPHGPKFSA-N 303.406 1.678 0 40 DDAB COC(=O)[C@@H](O)CNC(=O)c1ccc(-c2csc(C)n2)cc1 252480680 CCMKKCQUZHFQAN-ZDUSSCGKSA-N 320.370 1.382 0 40 DDAB COCCC(=O)N1CCC[C@@H](c2cc3cncn3c(C)n2)C1 257236525 HCPBQXXTRPZSDB-CYBMUJFWSA-N 302.378 1.780 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2ccccc2)C1 368820678 CHZMIUKBQOYNIY-UKRRQHHQSA-N 315.377 1.450 0 40 DDAB COC[C@H]1CN(C)C(=O)[C@H]2CCN(C(=O)C3CC(C)C3)CC[C@H]21 585108717 IDZLNEQUSIJISM-NCOXYXGASA-N 322.449 1.622 0 40 DDAB O=C(C1CCSCC1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093987 WJCDRSNDBKRIRU-CQSZACIVSA-N 324.490 1.435 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cc(C2CC2)[nH]n1 585279282 XTOXTOSKECHOIG-INIZCTEOSA-N 320.393 1.044 0 40 DDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3cc[nH]n3)CCO2)c1 585275257 BHLCGJWQMZUORT-KRWDZBQOSA-N 315.373 1.164 0 40 DDAB O=C1CCCN1CC(=O)N1CCO[C@H](c2ccccc2F)C1 66691125 TYXFJLZQROZFJP-AWEZNQCLSA-N 306.337 1.348 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2Cn2cc(C)cn2)C1 69950737 MSZHCZLHZRPBHY-HOTGVXAUSA-N 318.421 1.441 0 40 DDAB Cc1ncnc(OCC2CCN(C(=O)[C@H]3CCCO3)CC2)c1C 1565522398 OXNRIWIYHMDPBT-OAHLLOKOSA-N 319.405 1.890 0 40 DDAB O=C(NCc1ccc(F)cc1)N1CCCN([C@@H]2CCOC2)CC1 1565523133 ZJXHKLZYHZSVEE-MRXNPFEDSA-N 321.396 1.832 0 40 DDAB O=C1OC[C@H](COc2cccc(OC[C@@H]3COC(=O)O3)c2)O1 149227294 PKEDOQRZOIOKGU-TXEJJXNPSA-N 310.258 1.515 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2ncnc3[nH]cnc23)C1 16758143 GADPFAQSFMBJJT-WDEREUQCSA-N 308.345 1.138 0 40 DDAB Cc1ccc(CNc2nc([C@@H]3CC(=O)N(C)C3)cc(=O)[nH]2)cc1 19210423 YFOQCXGFMYODQQ-CYBMUJFWSA-N 312.373 1.636 0 40 DDAB Cn1c2ccccc2n2c(=O)n(CC(=O)NC3CCCC3)nc12 19289899 ILOQKCSYRRDERT-UHFFFAOYSA-N 313.361 1.047 0 40 DDAB COC(=O)C1CCN(C(=S)NC(=O)Cc2ccccc2)CC1 226346322 ZMAUEJYVSOHPEH-UHFFFAOYSA-N 320.414 1.515 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](OCCO)c1cccs1 575606004 GXIOIXVOVSCELC-GFCCVEGCSA-N 323.418 1.578 0 40 DDAB Cc1noc([C@H]2C[C@@H](F)CN2c2ncnc3c2cnn3C)n1 585146119 KSLYYFJDADIVRD-PSASIEDQSA-N 303.301 1.344 0 40 DDAB CN1CC[C@]2(O)Oc3ccc(Br)cc3[C@H](O)[C@@H]2C1 1889077984 YLHNNNJDAYNMMN-DRZSPHRISA-N 314.179 1.515 0 40 DDAB Cn1cnc2c(NC[C@@]3(O)CCOc4ccccc43)ncnc21 1776000750 ICFZODOYJQGHRM-INIZCTEOSA-N 311.345 1.446 0 40 DDAB CC(C)C[C@@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1 39559795 AZUKRZGSIRBRCH-DOTOQJQBSA-N 321.417 1.463 0 40 DDAB biogenic,in-vitro CO[C@@H]1CN(CC(=O)O)C[C@]12C[C@H](c1cccc(F)c1)CO2 2037963960 RECLRJAURRWAQR-JGGQBBKZSA-N 309.337 1.484 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C3CCOCC3)C[C@@H]21 2037845922 HTEVHZBWRIFMLI-VNQPRFMTSA-N 302.422 1.802 0 40 DDAB CC1CC(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)C1 1565549939 KJFNCLIVZXJHMS-UIEKQHFFSA-N 320.433 1.518 0 40 DDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055715724 FACXSPUIRMHYSE-CHWSQXEVSA-N 320.437 1.746 0 40 DDAB Cn1c(C(=O)N2CC[C@]3(COc4ccccc43)C2)cccc1=O 2055793262 HVGYYDRASCVTST-GOSISDBHSA-N 310.353 1.562 0 40 DDAB COc1ccc(CNC(=O)NCc2nc(C)no2)cc1OC 44455295 GANDJIRISYDHCY-UHFFFAOYSA-N 306.322 1.395 0 40 DDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cccc2c1OCCO2 575615818 IKBBMYRRNHRNKU-ZDUSSCGKSA-N 316.361 1.504 0 40 DDAB COc1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1 13715759 VCENFWXSAXRQKD-UHFFFAOYSA-N 314.341 1.741 0 40 DDAB CC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1 211 AWOGXJOBNAWQSF-CQSZACIVSA-N 308.378 1.585 0 40 DDAB in-man CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(F)c1 798482 PLELGSWTTBFCPB-UHFFFAOYSA-N 314.382 1.604 0 40 DDAB Cc1ccc(CNC(=O)COC(=O)c2cnn(C)c2)cc1F 11204155 QPKPOMBYIFCXDE-UHFFFAOYSA-N 305.309 1.341 0 40 DDAB CC(C)(C)c1nc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)no1 40538724 PAIUYXWDFJPEJX-OAHLLOKOSA-N 318.333 1.927 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2cc3ccccc3o2)n1 11321328 GBXOMWUGKFHUFK-UHFFFAOYSA-N 313.317 1.623 0 40 DDAB CC(C)(C)CCNC(=O)Cn1nc(O)c2ccccc2c1=O 31761263 ONKVMHNEHLTHNL-UHFFFAOYSA-N 303.362 1.655 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F 51260041 FWILQBILRPBEHE-LBPRGKRZSA-N 310.300 1.863 0 40 DDAB Oc1ccccc1C=NNc1ncc(F)c(N2CCOCC2)n1 4205140 HUWDYOJFOOSSNI-UHFFFAOYSA-N 317.324 1.604 0 40 DDAB O=C(CSc1cn[nH]n1)Nc1ccc(Cl)c(C(=O)O)c1 4386618 YWRCDPFWCUXNIX-UHFFFAOYSA-N 312.738 1.887 0 40 DDAB CCOC(=O)c1ccc(Nc2nc(N)nc(N)c2N=O)cc1 4707206 UKIQCHYTMCCITC-UHFFFAOYSA-N 302.294 1.959 0 40 DDAB CNC(=S)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 4888541 CVCJVATTXJGMPR-UHFFFAOYSA-N 307.419 1.394 0 40 DDAB O=C(O)C1=C(C(=O)O)[C@@H]2CCC[C@H]3[C@H]4CCCC[C@H]4N(N1)[C@@H]23 4972544 CLKXBYLUFNZMKH-ZZPVQSCKSA-N 306.362 1.587 0 40 DDAB CCc1noc([C@@H](C)N2CCN(Cc3ccccn3)CC2)n1 45915274 ILAQYBJGZPRNDN-CYBMUJFWSA-N 301.394 1.906 0 40 DDAB CNC(=O)c1ccc(CNC(=O)c2cccc(OC)c2O)cc1 32804214 OIMCZVPHJRTGSL-UHFFFAOYSA-N 314.341 1.690 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)o1 32827128 ZVXIJUIVMCEBTR-UHFFFAOYSA-N 301.349 1.239 0 40 DDAB C[C@H]1COCCN1C(=O)CCCn1c(=O)oc2ccccc21 46258175 NPNAZLRSICZJCD-LBPRGKRZSA-N 304.346 1.622 0 40 DDAB CN1N=C(C(=O)Nc2ccc3c(c2)OCCCO3)CCC1=O 32836707 ZADPHADZBJNWQG-UHFFFAOYSA-N 303.318 1.395 0 40 DDAB O=C(NC[C@H]1CCCO1)C1=NN(c2ccccc2)C(=O)CC1 32975833 VVKYDOHLAUEHTH-CYBMUJFWSA-N 301.346 1.465 0 40 DDAB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1C 102698959 NHJANZCEOVQITH-STQMWFEESA-N 300.358 1.776 0 40 DDAB CCOc1ccc(C(=O)NC[C@H]2CCN(CCOC)C2)cc1 68493841 PVTDZFMDTMCCGP-CQSZACIVSA-N 306.406 1.783 0 40 DDAB O=C(CCN1CCN(c2cnccn2)CC1)NC1CCCCC1 37176421 YMHBXWLCBVGVCK-UHFFFAOYSA-N 317.437 1.438 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 22900126 GZMNCIYSYXOMLB-JMNMEQFQSA-N 319.361 1.706 0 40 DDAB CCOC(=O)N(C)c1ccc(NC(=O)[C@@H]2COCCO2)cc1 54312258 AUVWIVOTAPHZCA-ZDUSSCGKSA-N 308.334 1.633 0 40 DDAB Nc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O 23425412 LKKHXQCOBQREJR-UHFFFAOYSA-N 311.297 1.117 0 40 DDAB Cn1ccnc1CN1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 107251762 CVDLXQXSIRWEIK-LSDHHAIUSA-N 311.389 1.191 0 40 DDAB CCOC(=O)CCNC(=O)CN1C[C@H](c2ccccc2)CC1=O 3147822 OPVJLHMMOHYGPD-CQSZACIVSA-N 318.373 1.072 0 40 DDAB O=C(C1CC1)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100121183 KMJBJYRRXMQQKC-IUODEOHRSA-N 314.389 1.311 0 40 DDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 3268102 GIXSYXMUHHKVPS-VIFPVBQESA-N 323.292 1.943 0 40 DDAB CC(=O)N1CCCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1 57445023 LJPPVWFGBCBSML-UHFFFAOYSA-N 312.801 1.234 0 40 DDAB C[C@@H]1CCc2c(sc3ncnc(N4CCNC(=O)C4)c23)C1 7984895 AWJDTQZDHJXHSV-SECBINFHSA-N 302.403 1.752 0 40 DDAB Cc1cccnc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 27651301 YZEVRANASZRPGI-UHFFFAOYSA-N 308.341 1.818 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCCn2cncn2)cc1 58381310 JFWHOXRMQHXZRS-BXUZGUMPSA-N 314.345 1.730 0 40 DDAB O=C1O[C@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cc2ccccc21 12781747 GSITWSGRLDVIEJ-AWEZNQCLSA-N 323.308 1.576 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)CN1CCCC1 48236452 FZBYGNVLHRLMTP-HNNXBMFYSA-N 306.406 1.694 0 40 DDAB O=C1OCC[C@H]1Sc1nnc([C@H]2COc3ccccc3O2)o1 48342901 RQOPAYWTRUORDR-GHMZBOCLSA-N 320.326 1.990 0 40 DDAB Cc1cc(NCCNC(=O)[C@H]2CCC[C@H](C)C2)n2ncnc2n1 81459573 ZNOIYYMQMPGHOD-AAEUAGOBSA-N 316.409 1.787 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)C[C@@H](C)O1 13073705 WDMONYUVESKOBB-DTORHVGOSA-N 317.338 1.322 0 40 DDAB COc1ccc(OC)c([C@H](C)Nc2ccc3nnnn3n2)c1 13010335 LGJBGYGBJJRRPA-VIFPVBQESA-N 300.322 1.710 0 40 DDAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)Cc2ccon2)C1 110682495 IIVVAOITMXXZAP-XQQFMLRXSA-N 315.439 1.460 0 40 DDAB O=C(NCCNc1ncccn1)NCCSC(F)(F)F 49021692 CHNMDXNGSHLQBU-UHFFFAOYSA-N 309.317 1.441 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C 4346634 IGPFKVFPEOWTRJ-AWEZNQCLSA-N 301.346 1.125 0 40 DDAB COc1cc2c(cc1OC)C(Nn1cnnc1)=NC(C)(C)C2 4477190 WZZDUJLVBMVSMI-UHFFFAOYSA-N 301.350 1.620 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@@H](N2CCCC2)C1)c1nncn1C 65437152 KIRQDNRTXVERLI-CHWSQXEVSA-N 306.414 1.146 0 40 DDAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCNC1=O 14093495 MNRNVEYCBGCSRH-UHFFFAOYSA-N 303.347 1.116 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C 65547586 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NC(=O)C1(CNC(=O)c2ccc(Cl)s2)CCOCC1 71811805 XSXSRSUGMSTRNZ-UHFFFAOYSA-N 302.783 1.413 0 40 DDAB CO[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 89772318 USXXYXPDNUYIQH-CABCVRRESA-N 300.362 1.955 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 89930529 YDUALOLCNOPTPD-HZPDHXFCSA-N 319.380 1.945 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)N1CCCCC1=O)C2 72232418 SMRCZOVITROSBO-QWHCGFSZSA-N 304.394 1.024 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)n1 72235624 LHJSWTBWTJDXLE-CQSZACIVSA-N 319.409 1.071 0 40 DDAB Cc1noc([C@@H]2COCCN2CCc2ccc3c(c2)CCO3)n1 97096388 UNDYTIDBDDQSGU-HNNXBMFYSA-N 315.373 1.929 0 40 DDAB Cc1n[nH]c(C)c1CNCCNS(=O)(=O)Cc1ccccc1 97160110 CNQWETKOQMHCMW-UHFFFAOYSA-N 322.434 1.236 0 40 DDAB O=C(NC[C@@H]1COCCO1)N1CCO[C@@H](c2ccccc2)C1 84525590 BJKAGSFIWGOKGZ-HUUCEWRRSA-N 306.362 1.185 0 40 DDAB COc1ccc(Br)cc1CCC(=O)NCC(=O)O 95424164 VXZNVAWIBOWEPT-UHFFFAOYSA-N 316.151 1.591 0 40 DDAB Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2cnn(C)c2n1 95406934 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CC(C)Nc1ccc(CC[C@@H]2CCCN2S(C)(=O)=O)nn1 72364971 ONNKXSBKLMPMRY-ZDUSSCGKSA-N 312.439 1.654 0 40 DDAB COc1ccc2nnc(CCCC(=O)N3CCSCC3)n2n1 72401783 JYVLTJWCVVISRE-UHFFFAOYSA-N 321.406 1.031 0 40 DDAB CCc1cnc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)o1 78960740 CNJPOHGAUKRQPW-OAHLLOKOSA-N 300.318 1.599 0 40 DDAB Cc1ccn(-c2ccc(N3CCC[C@H]([C@H]4CCNC4)C3)nn2)n1 561267813 YQQIBOIZPDXKOM-GJZGRUSLSA-N 312.421 1.797 0 40 DDAB O=C(O)c1ccccc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 35383626 KTCPRXAFMOKYIB-AATRIKPKSA-N 303.230 1.252 0 40 DDAB CN(Cc1nnc2ccccn12)c1ccc(C(=O)NC2CC2)cn1 79089538 NXELWSUCEHFTJA-UHFFFAOYSA-N 322.372 1.653 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCc3ccccc3)c(O)n2c1 226821650 ZZELRMQCKJNKTJ-UHFFFAOYSA-N 309.325 1.639 0 40 DDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cc3ccccn3c1)CC2 225787706 MFNYGCODYSDHLG-AWEZNQCLSA-N 322.368 1.320 0 40 DDAB CN1CC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1=O 80029627 LXEDWMPHMAUHEP-QMMMGPOBSA-N 303.145 1.660 0 40 DDAB CN(C)c1ncc(NS(=O)(=O)c2cccc(Cl)c2)cn1 133971004 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CN(C)C[C@@H]1CO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 96051960 OFWFOQSIWLEVCX-CZUORRHYSA-N 324.446 1.557 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 96072654 GLGDVZQIQRDVMO-IUODEOHRSA-N 323.418 1.219 0 40 DDAB Cc1nc(N2CC[C@H](S(N)(=O)=O)C2)nc(C)c1CC(C)C 96456742 DLGMZYGUMUXQRP-LBPRGKRZSA-N 312.439 1.159 0 40 DDAB C[C@H](O)C[C@H]1COCCN1C(=O)NCCCc1cccs1 97095073 KUAZHLRUPCJXFD-STQMWFEESA-N 312.435 1.862 0 40 DDAB CC(=O)N1CCOC2(CCN(C(=O)c3scnc3C)CC2)C1 96268253 JLGSYYYZKZRQQQ-UHFFFAOYSA-N 323.418 1.305 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3ccncc3)C2)C1 96051953 OQJCBXBLCURDSG-IRXDYDNUSA-N 305.422 1.251 0 40 DDAB O=C(CC1CC1)NC[C@@H]1CN(Cc2ccoc2)Cc2cncn21 247851290 IXDOVVHCFCNZSV-MRXNPFEDSA-N 314.389 1.949 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CN)C(=O)O 242687485 UIKGRSJWKLGRHI-WZRBSPASSA-N 317.794 1.270 0 40 DDAB O=C1OCCN1[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 618254168 KYEMCALOLXCQTR-CQSZACIVSA-N 318.348 1.910 0 40 DDAB NCC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 257233090 GNTAYNXGLGOVLY-OWCLPIDISA-N 315.417 1.216 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257206313 BCUUWGXTCPEGKB-OAHLLOKOSA-N 324.344 1.270 0 40 DDAB CNC(=O)[C@]1(CCCc2cccnc2)CCCN(CCO)C1 257242146 IBHATZFBKMXNIL-QGZVFWFLSA-N 305.422 1.225 0 40 DDAB Cc1cncc(C2CCN(C(=O)C(C)(C)n3cncn3)CC2)n1 257312549 UOMHPRCGYCZCCH-UHFFFAOYSA-N 314.393 1.518 0 40 DDAB O=C(c1cncs1)N1CCO[C@@H](CCc2ccncn2)C1 257209563 BQWLRPPTMPGNLF-LBPRGKRZSA-N 304.375 1.407 0 40 DDAB Cc1ccc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)cn1 257280582 OLLMFFRNSSYJTJ-MRXNPFEDSA-N 314.389 1.719 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2cnccn2)C1 257254164 KBYWRNZNVNYQDX-HNNXBMFYSA-N 316.361 1.614 0 40 DDAB Cc1cc(-c2cc(C)nc([C@H]3CCN(S(C)(=O)=O)C3)n2)[nH]n1 257336781 YQAIGNFRSCURDA-NSHDSACASA-N 321.406 1.232 0 40 DDAB Cc1cccc(N2CCC[C@H](N(C)CC3(O)CCOCC3)C2)n1 257293581 QQFMSXGULHLBAA-INIZCTEOSA-N 319.449 1.832 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@H]1c1ccnc(O)n1 257317284 VJCQWZNNSVNERT-ZDUSSCGKSA-N 318.377 1.248 0 40 DDAB CNc1cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)ccn1 257216729 CVVRRTVJDLGHPP-LBPRGKRZSA-N 313.361 1.226 0 40 DDAB Cn1ccc2c1CNC(=O)C21CCN(C(=O)OC(C)(C)C)CC1 261508237 QSAAOCGXTPUAHW-UHFFFAOYSA-N 319.405 1.924 0 40 DDAB O=C([C@H]1CCc2[nH]ncc2C1)N1CCN(c2ccccn2)CC1 270094202 AGBFYZSPCSOXAH-ZDUSSCGKSA-N 311.389 1.258 0 40 DDAB COc1nc(CNC(=O)Nc2cccs2)nc(N(C)C)n1 575603175 ASTGUZMHJMQOCK-UHFFFAOYSA-N 308.367 1.329 0 40 DDAB CC(C)c1nccn1CCC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585289696 VNGQRONFLQMXOW-KRWDZBQOSA-N 319.405 1.747 0 40 DDAB CN(C)C(=O)NC[C@H]1CN(Cc2ccoc2)Cc2ccnn21 585113068 YOUVFXOHPGEYSS-AWEZNQCLSA-N 303.366 1.304 0 40 DDAB CN1CC[C@@]2(CN(C(=O)CC3(O)CCC3)CC(F)(F)C2)C1=O 585093361 QWYYXJTUKGBIHT-CYBMUJFWSA-N 316.348 1.008 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585111722 GTPBVFINKKWMSU-ZDUSSCGKSA-N 320.343 1.854 0 40 DDAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)[C@H]1C[C@H]1C)CC2 585111298 NFGDFFKVLXYAPV-YPMHNXCESA-N 313.405 1.633 0 40 DDAB 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COc1cccc(CNC(=O)Cn2c(=O)cnc3ccccc32)c1 7973718 QEWLAGWLEVZSOL-UHFFFAOYSA-N 323.352 1.722 0 40 DDAB COCCCNC(=O)c1nc(-c2ccc(N(C)C)cc2)no1 20726686 IJPHPRICQXSDED-UHFFFAOYSA-N 304.350 1.569 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2noc3c2CCCC3)CC1 7000244 MKZWVRFWYCSILQ-UHFFFAOYSA-N 307.350 1.468 0 40 DDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 380860 UBRRUNIFODQGBG-UHFFFAOYSA-N 303.270 1.862 0 40 DDAB CCc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 102147972 RWJBRJUSOVCSJS-HUUCEWRRSA-N 302.374 1.650 0 40 DDAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(CCO)CC1 21548621 NULGBLYCINFFPJ-MRXNPFEDSA-N 322.449 1.160 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cccc(F)c1 32819568 QCDJJPRCILUTCV-INIZCTEOSA-N 312.344 1.807 0 40 DDAB CSCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 75121915 NJQJTZOTDIQHLG-UHFFFAOYSA-N 318.402 1.162 0 40 DDAB Cc1c(C(=O)N[C@H](C)Cn2cncn2)c(=O)[nH]c2ccccc12 75104280 ATXBRUOWRAGITJ-SNVBAGLBSA-N 311.345 1.247 0 40 DDAB CC[C@H](C)NC(=O)c1nn(C)cc1I 483032 LFMAAVRGDKKANW-LURJTMIESA-N 307.135 1.553 0 40 DDAB Cc1ncc2c(n1)CN(CC(=O)N(C)Cc1ccc(C)o1)CC2 75132834 YFPIDWQVEDXAMX-UHFFFAOYSA-N 314.389 1.703 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102599044 CLGZTQDXVYJPLL-GBOPCIDUSA-N 320.389 1.541 0 40 DDAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(O)cc1 101964783 SABJRAZCMVQGKK-YYIAUSFCSA-N 304.342 1.610 0 40 DDAB CC[C@H](OC1CCCC1)C(=O)N1CCN(c2nccn2C)CC1 76084250 GASGYOBWBOISHB-HNNXBMFYSA-N 320.437 1.807 0 40 DDAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cccnc1 23099813 HCPKUWQHSFKDTP-QGZVFWFLSA-N 311.385 1.885 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(CS(C)(=O)=O)cc1 42511494 WHWHNFQZWYFWAQ-GFCCVEGCSA-N 321.402 1.246 0 40 DDAB C[C@H](CCO)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 89895582 MRNWGNSSYZSPOP-LLVKDONJSA-N 315.391 1.145 0 40 DDAB COC(=O)c1ccoc1COC(=O)c1nc2nccc(C)n2n1 23450864 SHKPTXQAERWVPO-UHFFFAOYSA-N 316.273 1.169 0 40 DDAB CN1CCO[C@H](CNC(=O)N[C@@H]2CCCc3ccccc32)C1 104800027 SLEJEEUCIAISAJ-GDBMZVCRSA-N 303.406 1.694 0 40 DDAB O=C(NCCc1ccc(O)cc1)c1nc(-c2cccnc2)no1 12409739 XGMNAPMRJJZSKR-UHFFFAOYSA-N 310.313 1.810 0 40 DDAB Cc1nc(N(CCN(C)C)C[C@@H]2CCCO2)c2nc(C)oc2n1 55107819 FWUCDADSOZMYKJ-ZDUSSCGKSA-N 319.409 1.782 0 40 DDAB COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)C[C@@H]2O 1394839 JISVZQDTSKRCPM-BDAKNGLRSA-N 305.252 1.861 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)n1C 25239289 PTVMWHLQOSJPKR-UHFFFAOYSA-N 321.402 1.635 0 40 DDAB O=C(CN[C@H](c1ccccc1)c1ccccn1)NC(=O)NC1CC1 25420461 FIJNXHVOLVALNV-QGZVFWFLSA-N 324.384 1.749 0 40 DDAB CC(C)(C)n1nc(C(=O)NCCS(C)(=O)=O)cc1C1CC1 56880786 ORSYRNQMLNWOJG-UHFFFAOYSA-N 313.423 1.290 0 40 DDAB CN1C(=O)C(=O)N(CN(C2CC2)[C@@H]2CCc3ccccc32)C1=O 57089939 BVUMOWUFEWWUMA-CQSZACIVSA-N 313.357 1.516 0 40 DDAB NC(=O)[C@@H](OC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1 10045747 FTNNZMVAWIWFPP-AWEZNQCLSA-N 317.272 1.938 0 40 DDAB COC(=O)c1ccc(CNC(=O)CCN2CCSC2=O)cc1 44873865 IXYAUBFKMNEKJC-UHFFFAOYSA-N 322.386 1.648 0 40 DDAB O=C(NCc1sccc1Br)c1ccc(O)nn1 58264147 IMDRTYDMPPOVQA-UHFFFAOYSA-N 314.164 1.936 0 40 DDAB C[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)N1CCOCC1 58209150 FWJSMSLETWRNDG-VIFPVBQESA-N 314.744 1.456 0 40 DDAB O=C(NCCCN1CCCC1=O)c1c(Cl)nc2ccccn12 44966868 CWCPEFQTUJUQEN-UHFFFAOYSA-N 320.780 1.730 0 40 DDAB C[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1 44951916 HDXACHHLFVOTJE-WCQYABFASA-N 301.350 1.956 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)s2)C1=O 8268965 WUDNJYLTPFIFQE-NSHDSACASA-N 301.755 1.767 0 40 DDAB CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 3329519 UUAUCCSZHFZIAO-UHFFFAOYSA-N 311.345 1.183 0 40 DDAB Cc1cc(NC(=O)CN[C@@H]2CCc3nc(C(C)C)nn3C2)no1 70036384 OWFZNLZMSPNSCJ-LLVKDONJSA-N 318.381 1.241 0 40 DDAB CC(C)c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)no1 69491771 VZRLIDSFEZWELZ-UHFFFAOYSA-N 306.322 1.426 0 40 DDAB CC(=O)NCCN[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 119605083 ZSFRRKZHEZIXGS-SQNIBIBYSA-N 301.434 1.623 0 40 DDAB CC(C)Cn1ncc2cc(C(=O)NC[C@H](C)N(C)C)cnc21 69415721 ITDZOMJTWUAPFQ-LBPRGKRZSA-N 303.410 1.767 0 40 DDAB Cc1nc2nc(C(=O)NCc3ccccc3)nn2c(O)c1Cl 17113088 KJEIFQZVGYOELB-UHFFFAOYSA-N 317.736 1.722 0 40 DDAB NC(=O)C1CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC1 49548546 WSRJBRYIOCTAFA-UHFFFAOYSA-N 317.320 1.005 0 40 DDAB CCOC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 5105312 JJBYXGDYCQQEMI-AWEZNQCLSA-N 310.737 1.670 0 40 DDAB C[C@H](CNC(=O)NCc1ccccc1Cn1cncn1)N(C)C 65440781 ARYCWHVQHPPRTA-CYBMUJFWSA-N 316.409 1.076 0 40 DDAB Cc1n[nH]c([C@H]2CN(CCc3ccc4c(c3)CCO4)CCO2)n1 76048503 YPMQAEKJPXMUOL-MRXNPFEDSA-N 314.389 1.664 0 40 DDAB CCCNC(=O)NC(=O)CN1CC[C@H](c2ccc(OC)cc2)C1 65608097 YQBYZDLQLWLMOS-AWEZNQCLSA-N 319.405 1.720 0 40 DDAB C[C@@H](Cn1cccn1)C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69771559 QKYCLBRWVHOZOT-GJZGRUSLSA-N 322.453 1.070 0 40 DDAB C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc21 69779115 QNQYUXCBDKFCJH-TZMCWYRMSA-N 311.389 1.160 0 40 DDAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(CCO)CC3)o2)c1 69771974 JCGMVUUPWWSDMH-CQSZACIVSA-N 316.405 1.716 0 40 DDAB NC(=O)c1ccsc1NC(=O)CCC(=O)NCc1ccco1 8708477 XEYZTCKEOAGSSB-UHFFFAOYSA-N 321.358 1.475 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCCC[C@@H]1Cn1cccn1 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DDAB O=C1NCCN(C(=O)NC[C@H]2CCCO2)[C@H]1c1cccs1 78933239 YQLUUZVSXUTISA-PWSUYJOCSA-N 309.391 1.110 0 40 DDAB Cn1cccc1[C@H]1COCCN1C(=O)Cc1ccc(O)cc1 97162826 FOGNMYQBUBNCTR-MRXNPFEDSA-N 300.358 1.873 0 40 DDAB CC(C)Oc1ccccc1CC(=O)N1CC[C@H](OCC(N)=O)C1 72312699 LWAPTTPLGAOBCL-AWEZNQCLSA-N 320.389 1.119 0 40 DDAB O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc[nH]n1 84392614 MIIVTYORRMSGKJ-CYBMUJFWSA-N 303.293 1.726 0 40 DDAB CN(C)C(=O)CN(C)[C@@H]1CCCN(c2cccc(F)c2)C1=O 72557466 IPJIHRHOEHOSJB-CQSZACIVSA-N 307.369 1.341 0 40 DDAB CCN1CCN(Cc2ccccc2CNC(=O)N(C)C)CC1 95365117 ZRXOSGUDZBXBMD-UHFFFAOYSA-N 304.438 1.595 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(C(N)=O)C1 95439523 SXBYETLDKGCRFE-MFKMUULPSA-N 309.797 1.788 0 40 DDAB Cc1nnnn1-c1ccc(C(=O)Nc2nc(C(C)C)n[nH]2)cc1 95480233 BCLPBFDYPLJUMO-UHFFFAOYSA-N 312.337 1.465 0 40 DDAB CCOc1cncc(N2CCN(c3ccccc3O)CC2)n1 95425642 YYBZMSHATNDXAZ-UHFFFAOYSA-N 300.362 1.908 0 40 DDAB Cc1ccc(N2CC[C@@H](Nc3nccn4cnnc34)C2=O)cc1 95404362 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1.659 0 40 DDAB CC(C)(C(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 79310240 QHSNDVVMAJGCFZ-CYBMUJFWSA-N 313.394 1.797 0 40 DDAB C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 61976016 WHAGJXMUBWIVOL-INIZCTEOSA-N 317.345 1.113 0 40 DDAB O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CCc2cncn2C1 569133294 NWUSBYMCVRPSPA-CQSZACIVSA-N 322.372 1.343 0 40 DDAB C[C@H]1CO[C@H](CO)CN1Cc1cnn(Cc2ccc(F)cc2)c1 225478320 JLNAMKAXDAGESW-GUYCJALGSA-N 319.380 1.652 0 40 DDAB O=C(NCc1nnc2n1CCCC2)c1ccc2c(c1)OCO2 41139894 UPFNJZOFIGHQPT-UHFFFAOYSA-N 300.318 1.273 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCOC[C@H]1c1cccn1C 131757388 BMFXLOHEFPJTSU-AWEZNQCLSA-N 317.393 1.377 0 40 DDAB COCCOc1ccc(CC(=O)N2CCOCC2(C)C)cc1 192219020 UUJRSAAXVUPYEL-UHFFFAOYSA-N 307.390 1.892 0 40 DDAB C[C@H](NCc1nc(O)n[nH]1)C1CCN(CC(F)(F)F)CC1 574167585 MGOIPATYUKSDMM-QMMMGPOBSA-N 307.320 1.263 0 40 DDAB O=C([C@@H]1NCC[C@H]2CCCC[C@H]21)N1CCCn2nncc2C1 1580488665 IIFCQMSKCSRDPJ-BPLDGKMQSA-N 303.410 1.179 0 40 DDAB CC(=O)c1ccc(CCNS(=O)(=O)c2cccnc2)s1 225673162 IWRCPMYSXGPHDF-UHFFFAOYSA-N 310.400 1.867 0 40 DDAB CCCCS(=O)(=O)N[C@@H](C(=O)NC)c1ccc(F)c(F)c1 96427771 MQWDTGGNNCSRQL-GFCCVEGCSA-N 320.361 1.471 0 40 DDAB O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1ccnnc1 96044365 UWORPGWWQLCBHK-AWEZNQCLSA-N 313.361 1.127 0 40 DDAB Cn1nc(C(=O)NCc2cccnc2-c2cccnc2)ccc1=O 238969453 ZGTHXHDSKCUDJY-UHFFFAOYSA-N 321.340 1.167 0 40 DDAB Cc1nncn1CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 96445351 DWLQVNGQXJGEPA-MNOVXSKESA-N 306.316 1.785 0 40 DDAB Cc1nc(CNC(=O)N[C@H](C)COc2ccccc2C)no1 96439405 UJWBUXABTPKGPR-LLVKDONJSA-N 304.350 1.953 0 40 DDAB COc1ccc(CCCC(=O)NCc2nncn2C)cc1F 96460739 DZEFRJKFNUNUBY-UHFFFAOYSA-N 306.341 1.602 0 40 DDAB Cc1nnn2c1COC[C@@H](CNC(=O)Cc1ccsc1)C2 96199351 VUGHWWDQXSIHEF-LBPRGKRZSA-N 306.391 1.153 0 40 DDAB Cc1nc(CN2CCCN(C(=O)[C@@H](N)C3CCC3)CC2)cs1 333248340 GECGQRADMWFXDF-HNNXBMFYSA-N 322.478 1.613 0 40 DDAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cn[nH]n1 96417217 CDGIPYBCRDHFJL-SNVBAGLBSA-N 305.313 1.787 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)N1CCN2CCCC[C@@H]2C1 96404173 VNKHOEWNEIHSMH-OAHLLOKOSA-N 305.426 1.530 0 40 DDAB COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 96188895 KUKGFPONMBXHQE-CQSZACIVSA-N 315.373 1.890 0 40 DDAB NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1Cl 97380095 LYHHHPDTAZMDDE-GMSGAONNSA-N 320.773 1.411 0 40 DDAB CCc1cnc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 96439862 QVGMMZXSULKWTQ-NEPJUHHUSA-N 324.450 1.368 0 40 DDAB COc1ccc(C)cc1CC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O 257282212 OSXGVYXSJSXJNO-CKEIUWERSA-N 307.390 1.279 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC(Cc2ccncc2)CC1 257247165 IXTGFBCFIJFRAR-UHFFFAOYSA-N 311.451 1.923 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257255064 KFYXNTKFGJRNOF-CYBMUJFWSA-N 319.386 1.695 0 40 DDAB NC(=O)C1=CC=C[C@@H]2N=C(c3ccc([C@@H]4CCCN4)cc3F)N=C12 299803666 NIXFYCOPCLXHTK-GJZGRUSLSA-N 324.359 1.802 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1c1ccncc1 299658988 QXZSVVVHVMUMIW-GXTWGEPZSA-N 300.366 1.608 0 40 DDAB CCOCC(=O)N1CC2(CC[C@@H](CN3CCCCC3=O)CO2)C1 575403932 JAZKSBWZMAPXKJ-AWEZNQCLSA-N 324.421 1.043 0 40 DDAB CC(C)=CCNC(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 668387003 FJVAMSFORWFUSC-ZDUSSCGKSA-N 300.424 1.561 0 40 DDAB CCCn1ncc(CN(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)c1C 585291323 OZWHAOUGLBLBQA-OAGGEKHMSA-N 311.426 1.462 0 40 DDAB COc1cc(Cl)c(NC(=O)NCc2nc(N)n[nH]2)cc1C 585141850 ZSMFHTYVFJACQH-UHFFFAOYSA-N 310.745 1.679 0 40 DDAB CCCNC(=O)C1=NO[C@]2(CCCN(c3ccncn3)C2)C1 585101260 SEOYXPQWQDADDE-OAHLLOKOSA-N 303.366 1.118 0 40 DDAB NC(=O)C[C@@]1(CO)CCCN1C(=O)c1ccc2c(c1)CCCC2 585279711 XVWKXZLEUDEXPC-GOSISDBHSA-N 316.401 1.408 0 40 DDAB Cc1cc(S(=O)(=O)N2CC(Nc3ccncn3)C2)ccc1F 585149111 XYBDYDLJPWXTBG-UHFFFAOYSA-N 322.365 1.409 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(C(=O)NC(C)C)CC1 42182115 OTYVZGREYRBGQW-UHFFFAOYSA-N 312.458 1.274 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1cccc(C[S@@](C)=O)c1 42368270 RMLUVTHXMPAFTK-GTJPDFRWSA-N 305.403 1.580 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CC[C@H](C(=O)O)C1 62119179 BTLUFANGEWXRBF-QMMMGPOBSA-N 315.167 1.817 0 40 DDAB COc1c(CNC[C@H](O)c2ccc(F)c(F)c2)c(C)nn1C 65575962 IYOVDBOAEVPGBK-AWEZNQCLSA-N 311.332 1.839 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](n3ccnc3)C2)C1 69656549 FPSGXBWKNYLTFY-CABCVRRESA-N 304.394 1.305 0 40 DDAB Cc1nnc2n1C[C@@H](CNCc1cccc3c1OCO3)CC2 75132783 HIWJBZMUTGGAKZ-GFCCVEGCSA-N 300.362 1.667 0 40 DDAB O=C1CCCCN1Cn1cc(I)cn1 97080612 PAOUNNJAPJZWFT-UHFFFAOYSA-N 305.119 1.458 0 40 DDAB O=C(O)C1CCN(C(=O)c2coc(Br)c2)CC1 96402401 KFXPYXVVVRLBID-UHFFFAOYSA-N 302.124 1.979 0 40 DDAB CNC(=O)NC(=O)CSc1nccn1-c1cccc(F)c1 5263539 UPECSFYHODAPIA-UHFFFAOYSA-N 308.338 1.559 0 40 DDAB C[C@H](NC(=O)[C@]1(C)CCCO1)c1nc(-c2cccnc2)n[nH]1 12191783 BITITDNVDXLNDX-BONVTDFDSA-N 301.350 1.613 0 40 DDAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCCC1 12602475 XSAOBJNLMGVCKG-YESZJQIVSA-N 322.497 1.890 0 40 DDAB biogenic,in-vitro O=C(C[C@@H]1CSc2nccc(=O)n21)NCc1ccc(F)cc1 14031050 FZLOPSXSHVZOAY-GFCCVEGCSA-N 319.361 1.736 0 40 DDAB CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 16610240 YMAYLMGRXMXEAB-CYBMUJFWSA-N 312.435 1.920 0 40 DDAB Cc1ccc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cc1 1888906450 DCIGEMASPGXJOV-MRXNPFEDSA-N 320.458 1.771 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccno2)CC1 1848856336 LNUVKWKRLFBJTO-UHFFFAOYSA-N 321.768 1.859 0 40 DDAB C[C@@H](OC(=O)CNC(=O)C1CCCCC1)C(=O)NC1CCCC1 20882084 PJZFUKOTWHNQHH-GFCCVEGCSA-N 324.421 1.673 0 40 DDAB CC(C)C(=O)NCCNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 36833037 AYLGRTXVVALLFH-CQSZACIVSA-N 321.352 1.207 0 40 DDAB COC[C@@H](C)NC(=O)CN(C)Cc1ccc(Br)o1 30215583 IWBVFBQCBNFMET-SECBINFHSA-N 319.199 1.625 0 40 DDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(CC3CC3)[C@@H]2CN1 2037981196 YVYAHKGOFBCEJE-BFYDXBDKSA-N 304.365 1.519 0 40 DDAB Cc1noc(C)c1CN1C[C@]2(COCCN(C(C)C)C2)CC1=O 1273914027 FNSVFZPOTFQCQP-KRWDZBQOSA-N 321.421 1.751 0 40 DDAB O=C([C@@H]1CN(C(=O)C2(F)CCC2)[C@@H]2CCO[C@@H]12)N1CCCC1 1565555801 PPDNYXRGPGWOKB-UPJWGTAASA-N 310.369 1.117 0 40 DDAB Cc1nnsc1C(=O)NCC1CCN(c2ccccn2)CC1 43975450 VSZJXZSEAWETPE-UHFFFAOYSA-N 317.418 1.888 0 40 DDAB CC(=O)Nc1ccc(OS(=O)(=O)N(C)C)c2ccccc12 226859484 RSVWLMQGHBLQNC-UHFFFAOYSA-N 308.359 1.983 0 40 DDAB C1CN([C@@H]2CC[C@H]3S[C@H]2CC[C@H]3N2CCOCC2)CCO1 100162698 AISSRCQTANXUHV-FPCVCCKLSA-N 312.479 1.446 0 40 DDAB CC[C@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)CCO1 30851430 RVPJGPWXSAAYPO-HNNXBMFYSA-N 300.362 1.577 0 40 DDAB COC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C 420816 PBWNZEDPXASWNR-UHFFFAOYSA-N 317.374 1.478 0 40 DDAB COc1cc(Cl)c(NCC(=O)N2CCNC2=O)cc1OC 11101049 FOOLSQACYBWKQC-UHFFFAOYSA-N 313.741 1.321 0 40 DDAB Cc1cc(NC(=O)CNC(=O)c2ccccc2Cl)n(C)n1 40512248 MQKVRGCXCYQEAV-UHFFFAOYSA-N 306.753 1.750 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccccc1Cl 2644756 HOHVYCKJBBIFIG-NSHDSACASA-N 315.826 1.746 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 100885874 DOEYEWKFJDCWRZ-FSZRXZPDSA-N 313.353 1.184 0 40 DDAB O=C(NCCCO)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3093631 TYTHROPJAFLVRB-UHFFFAOYSA-N 324.336 1.599 0 40 DDAB O=C(CSc1ccc2c(c1)OCCO2)NC[C@H]1CCCO1 3499110 CPODSHXVLFHSAP-LLVKDONJSA-N 309.387 1.845 0 40 DDAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(C(C)C)CN3)c1C 20567640 YKUODRGGMXAWOB-UHFFFAOYSA-N 314.389 1.736 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 6537098 BZKKUONTSPCGHK-IFFSRLJSSA-N 320.370 1.699 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)n[nH]1 21096592 YXCBEZLJTHAMGW-UHFFFAOYSA-N 315.376 1.126 0 40 DDAB O=C1C[C@H](N(C(=O)c2cccn2C2CCCC2)C2CC2)C(=O)N1 102009087 NJFCIEAHSKLOMH-AWEZNQCLSA-N 315.373 1.623 0 40 DDAB COc1ccc(CNC(=O)NCC(C)(C)N2CCOCC2)cc1 32862409 KFFHRTNBXIKVBF-UHFFFAOYSA-N 321.421 1.605 0 40 DDAB Cc1cccc(OCCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c1 32816293 PHRABYATWJBFIM-AWEZNQCLSA-N 304.390 1.747 0 40 DDAB CSc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 32858208 AOHMQGKMTDQQGG-UHFFFAOYSA-N 322.415 1.805 0 40 DDAB Cc1cc2nnc(SCC(=O)Nc3nccs3)n2c(C)n1 32922612 XXEUZRFJLBLFEV-UHFFFAOYSA-N 320.403 1.928 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1 9048538 UUSOTVGSZDFICT-UHFFFAOYSA-N 310.419 1.905 0 40 DDAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)NC2CC2)o1 32914079 OFNBPPRJAOPICV-UHFFFAOYSA-N 313.360 1.429 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)cc1C 102690151 YIJQTZZRXLLESI-NOXHYTERSA-N 311.337 1.587 0 40 DDAB C[C@@H](c1ccccc1)N(C)C(=O)CN(CC(N)=O)C1CCCC1 52826378 UONYYNJCCRAYLQ-AWEZNQCLSA-N 317.433 1.936 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)NCc2ccccc2)CC1 69414909 OIKMHAWZTGOIAK-UHFFFAOYSA-N 324.446 1.801 0 40 DDAB CCO[C@@H](C(=O)N1CCn2c(C)nnc2C1)c1ccccc1 69458715 GXZHJKGXTFKAQP-OAHLLOKOSA-N 300.362 1.707 0 40 DDAB CN1CC(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O 2633659 FCMQNADJJAKOLT-UHFFFAOYSA-N 316.144 1.826 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN(C)CC1 22239092 HEFBXQGDADOMRQ-SNVBAGLBSA-N 304.316 1.545 0 40 DDAB CCOC(=O)/C(O)=C1\C(=O)N(C)C(=O)[C@H]1c1cccc(OC)c1 102981964 LWTSZQCUUWCQDE-UMAGAQSHSA-N 319.313 1.153 0 40 DDAB O=C(NCc1ccccc1CO)C(=O)Nc1cc(F)cc(F)c1 69812787 ITXWCTPCRRMWAH-UHFFFAOYSA-N 320.295 1.712 0 40 DDAB Cc1nc(CN2CCN([C@@H]3CCCCNC3=O)CC2)cs1 22816071 CTAVXBABNNUDEM-CQSZACIVSA-N 308.451 1.238 0 40 DDAB OC1CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1 23053343 ZATNVQQEIRPRSM-UHFFFAOYSA-N 301.272 1.859 0 40 DDAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCCNCC1 37463941 DLPKSVRCCLGWDY-UHFFFAOYSA-N 309.218 1.977 0 40 DDAB O=c1c2cccnc2ncn1C[C@H](O)COCc1ccccc1 23400358 KUMXUUVQULLKMV-AWEZNQCLSA-N 311.341 1.369 0 40 DDAB O=C1CNC(=O)N1CCN[C@H]1CCCC[C@H]1Cc1ccccc1 119016734 FFWCEXXBWZHEOQ-HOTGVXAUSA-N 315.417 1.929 0 40 DDAB Cc1noc(C2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1 54674445 DZGJLAQGKZTWNV-UHFFFAOYSA-N 317.393 1.677 0 40 DDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1cccnc1 25464844 OEKLWMIRZAWAJV-UHFFFAOYSA-N 311.341 1.662 0 40 DDAB Cc1cc(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)n2ncnc2n1 108094888 MYNWTLWRMAUCME-SOUVJXGZSA-N 312.421 1.743 0 40 DDAB C[C@H]1CCCCN1C(=O)COc1ccc(S(C)(=O)=O)cc1 57652145 NUWNEALUCHTEBF-LBPRGKRZSA-N 311.403 1.870 0 40 DDAB C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)N(C)C1CC1 57710154 LTCGHINFBIDCDH-TZMCWYRMSA-N 307.438 1.234 0 40 DDAB COc1cc(C)nc2nc(S(=O)(=O)Cc3ccccc3)nn12 3128615 CHZCXJOCNUAHGE-UHFFFAOYSA-N 318.358 1.415 0 40 DDAB COc1ccc(OC[C@H](O)CN2C(=O)CC(C)(C)C2=O)cc1 58108967 WNUMVHIFOLNQIK-LLVKDONJSA-N 307.346 1.220 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCCC(=O)NCc2ccccc2)c1 58294825 AGBAXJWRQBBBCG-UHFFFAOYSA-N 313.357 1.654 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccncc1 44908261 BUMDUJJRVODZRQ-HIFRSBDPSA-N 311.389 1.965 0 40 DDAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(c2cnccn2)C1 45262587 QEXKFZLPURBJPT-CQSZACIVSA-N 314.393 1.096 0 40 DDAB OC[C@@H](CNc1ccc2nncn2n1)Cc1ccc(F)cc1 48262365 IDGFTSAIXOEJKA-GFCCVEGCSA-N 301.325 1.527 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)CCNc1ncccn1 48236956 FCCRIDUSADHOKR-UHFFFAOYSA-N 315.377 1.777 0 40 DDAB O=C(NC[C@H]1CCOC1)C1=NN(Cc2ccccc2)C(=O)CC1 48325706 UEVXCYQXVKAJCF-CQSZACIVSA-N 315.373 1.318 0 40 DDAB Cc1c(C(=O)NC2CCCC2)cnn1[C@H]1CCS(=O)(=O)C1 49657991 LKHUYOVIRNAJKL-LBPRGKRZSA-N 311.407 1.224 0 40 DDAB Cc1cc(NC(=O)NCC(C)(C)N2CCC(N(C)C)CC2)no1 69033610 IWCYODNGUYONDF-UHFFFAOYSA-N 323.441 1.909 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)NCc2ccc(C)cc2)CC1=O 8234979 WEDBCARHJIRLMF-HIFRSBDPSA-N 304.390 1.495 0 40 DDAB COc1ccc(CCNC(=O)c2nccnc2N)cc1OC 14062522 RSAWWDPVQYRYNA-UHFFFAOYSA-N 302.334 1.049 0 40 DDAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)N1CCCCCC1 70039338 DKBARJIJHAHYQK-AWEZNQCLSA-N 312.435 1.995 0 40 DDAB CCN1CCC[C@@H](NS(=O)(=O)Cc2ccccc2F)C1 65612059 VLVKKXZFJHJDMF-CYBMUJFWSA-N 300.399 1.729 0 40 DDAB CCc1nc(CN2CCCC[C@@H]2Cn2nc(C)nc2C)no1 69624201 VYCMZBOLWBTSSQ-CYBMUJFWSA-N 304.398 1.895 0 40 DDAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccccc1 4942206 NEQHLTQAFZUKDB-OGGHUHLFSA-N 315.325 1.366 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cn1 69775079 WSWOBWCSFDDGOU-ZDUSSCGKSA-N 313.361 1.115 0 40 DDAB CCCNC(=O)c1nsc(C(=O)NCc2cccs2)c1N 67334925 DNUMJHURADIUIL-UHFFFAOYSA-N 324.431 1.857 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCCCC1 8944302 JDXFHFPHCDPAPN-ZDUSSCGKSA-N 315.377 1.832 0 40 DDAB CN(CCNC(=O)NCc1ccncc1)C(=O)OC(C)(C)C 71803994 YIFSQLRGUFDZFK-UHFFFAOYSA-N 308.382 1.748 0 40 DDAB COCCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863702 IRUZXIWBVLKDMY-INIZCTEOSA-N 306.406 1.291 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H]2Cn2cccn2)n(C)n1 71875578 SSQQSQMRNIWBHT-ZDUSSCGKSA-N 302.382 1.028 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 71870968 KFLPWVDOUNZDHH-NSHDSACASA-N 316.323 1.844 0 40 DDAB O=C(CCn1cncn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71821373 ARBWROYPEBHAQC-CQSZACIVSA-N 320.780 1.922 0 40 DDAB Cc1ccc(CN(C(=O)Cn2cnnc2[S@](C)=O)C2CC2)o1 71899924 ZAOUVFYYBLKHHS-JOCHJYFZSA-N 322.390 1.108 0 40 DDAB Cc1cc(NC[C@@H](O)COc2c(C)cccc2C)nc(N)n1 71827972 YBRSVMQNVQQAAL-CYBMUJFWSA-N 302.378 1.836 0 40 DDAB Cc1nccn1CCCNC(=O)[C@@H]1CCCN1c1nccs1 71896044 NQFVDJPTJKSLID-ZDUSSCGKSA-N 319.434 1.823 0 40 DDAB COc1ccc(NC(=O)Cc2ccc(C)nc2)cc1-n1cnnn1 75146217 NNGFYYQHOMKCNS-UHFFFAOYSA-N 324.344 1.556 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)no1 72231952 NKXNFAIJFBGQIR-VXGBXAGGSA-N 318.377 1.095 0 40 DDAB O=C(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 72233692 QAPLSYVCDYUZQZ-UHFFFAOYSA-N 306.285 1.516 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3nncn3c2)C1 72234609 HYVDLPJZUPIRMU-CQSZACIVSA-N 310.361 1.712 0 40 DDAB O=C(NCCc1cccc(O)c1)C(=O)Nc1cccc(F)c1F 72291108 RIUYQWJKLZKIJK-UHFFFAOYSA-N 320.295 1.968 0 40 DDAB CCCn1cc(NC(=O)[C@@H](CC)N2CCCC2=O)ccc1=O 97010240 DLLUIGPDPVONNH-CYBMUJFWSA-N 305.378 1.598 0 40 DDAB O=C(Cn1ncc2ccccc21)N[C@H](C(=O)O)c1ccccc1 97017997 XJWOGYUQNHKTBZ-INIZCTEOSA-N 309.325 1.978 0 40 DDAB CNC(=O)NCC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 97079935 OSDMJOYMLTVOTR-VIFPVBQESA-N 317.311 1.682 0 40 DDAB Cc1n[nH]cc1CNCCN1CCN(Cc2ccccc2)CC1 97159554 BNGJUSFXRDYCPF-UHFFFAOYSA-N 313.449 1.626 0 40 DDAB CC[C@@H]1C[C@@H](C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CCO1 97147012 JDWBGEUNEYSTNS-YUTCNCBUSA-N 308.353 1.674 0 40 DDAB C[C@H](NC(=O)Cn1nnnc1CCCc1ccccc1)C1CC1 95409077 YPRFKRVBOCHYAF-ZDUSSCGKSA-N 313.405 1.763 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)c1cnn(-c2ccccc2)c1C 78548992 IVQNMZYZSDQZNT-HNNXBMFYSA-N 312.373 1.531 0 40 DDAB CCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408709910 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318.398 1.328 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccccc1OCCOC 58161034 WHBVECUJIQUYFJ-NSHDSACASA-N 309.366 1.358 0 40 DDAB CCc1nc2ccccc2n1CC(=O)NCCc1nccn1C 58292506 KTOYPQMWLIDHSL-UHFFFAOYSA-N 311.389 1.691 0 40 DDAB Cc1cccc(OCC(=O)N(C)Cc2nnc3n2CCC3)c1C 44934874 OCUGBYLQAXNAFO-UHFFFAOYSA-N 314.389 1.879 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)CCc1c(C)noc1C 44998827 LQHHDSDBBZWLIB-UHFFFAOYSA-N 309.410 1.987 0 40 DDAB CN(Cc1cnn(-c2ccccc2)c1)C[C@H](O)Cn1cccn1 44974978 MHNOYHMYIWUVNQ-KRWDZBQOSA-N 311.389 1.562 0 40 DDAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NO[C@H]2CCCCO2)C1 58419965 XETZTBPELJZHSA-OLZOCXBDSA-N 313.398 1.391 0 40 DDAB O=C1O[C@H](C(=O)NCCOc2ccccc2)Cc2ccccc21 25645527 CHXLHILGIPTTSY-INIZCTEOSA-N 311.337 1.963 0 40 DDAB COC(=O)c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)o1 48356211 QMUGGBRHTQFXRJ-GFCCVEGCSA-N 311.301 1.512 0 40 DDAB Cc1nnc(SCc2cc(-c3ccco3)on2)n(N)c1=O 12890041 LMLCXRQLORROKH-UHFFFAOYSA-N 305.319 1.201 0 40 DDAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2cccs2)o1 3417246 UZBOTVANJWUYKD-UHFFFAOYSA-N 315.372 1.948 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc2c(c1)OCO2 17066698 XABBDYICENBKAR-UHFFFAOYSA-N 321.377 1.471 0 40 DDAB CCn1ccnc1CN1CCN(C[C@H](O)c2ccco2)CC1 69536093 MSULJDKFXVEIBK-AWEZNQCLSA-N 304.394 1.347 0 40 DDAB CCOC(=O)CN1C(=O)S[C@H](Nc2ccc(C)cc2)C1=O 4271881 CLVIQANSXNCLAD-LBPRGKRZSA-N 308.359 1.992 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)CC(F)(F)F)CC2)n1 69564587 QMCJMLSHVPVZHY-UHFFFAOYSA-N 318.299 1.476 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385123 LOGOKVFPALKRHT-FZMZJTMJSA-N 322.792 1.988 0 40 DDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC1=NCCS1 5262222 YMWQNNSBDIKZQD-XFXZXTDPSA-N 314.374 1.199 0 40 DDAB NC(=O)Cn1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)cn1 65497797 WOEOHYYJLLVTPU-GFCCVEGCSA-N 319.390 1.799 0 40 DDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)n1C 14141879 NHVDSJVDPLBSNE-UHFFFAOYSA-N 319.390 1.080 0 40 DDAB CCn1c([C@H](CO)NC(=O)c2ccc(OC)cc2)n[nH]c1=S 4520754 ZDDMSQUDEHCEGV-NSHDSACASA-N 322.390 1.433 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)c1sccc1OC(F)F 65624122 RIRRKCAHEZJKCV-UHFFFAOYSA-N 306.334 1.994 0 40 DDAB CC(=O)Nc1c(C(=O)NCc2ccccc2)noc1C(C)=O 4776808 YHGYSBNCPWQNIH-UHFFFAOYSA-N 301.302 1.766 0 40 DDAB C[C@@H](C(=O)N1N=CC[C@]1(O)C(F)(F)F)n1cc(Cl)cn1 6850514 QZCXUEAWKQFOAX-RCOVLWMOSA-N 310.663 1.567 0 40 DDAB O=C(CCC(=O)c1cccs1)NCCC(=O)N1CCCC1 8771442 PDYZTKIFNSNGPS-UHFFFAOYSA-N 308.403 1.840 0 40 DDAB CN(C)c1ccc(C(=O)OCCOc2cncc(Cl)n2)nn1 68035882 SFVXTGPJFMHHOW-UHFFFAOYSA-N 323.740 1.222 0 40 DDAB COC[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7814451 KLGLJWDSBPTUTB-SNVBAGLBSA-N 319.810 1.655 0 40 DDAB CN(CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 7986952 IEMUWHWYAOKZIA-HNNXBMFYSA-N 322.430 1.233 0 40 DDAB O=C1NC2(CCCCC2)C(=O)N1C[C@@H](O)COc1ccccc1 9591455 CMLGAGASPQYOPF-CYBMUJFWSA-N 318.373 1.681 0 40 DDAB Cc1cc(C)c2c(NC(=O)c3nccnc3C(=O)O)n[nH]c2n1 71288035 ZJCQDJOMPDNGOG-UHFFFAOYSA-N 312.289 1.315 0 40 DDAB CN(C)C[C@@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)CCO1 71878842 USUKGYARDYVJDO-QGZVFWFLSA-N 321.465 1.698 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)NC2CCCC2)ccc1C 9227776 HIHHWNCFCNTEJM-UHFFFAOYSA-N 310.419 1.966 0 40 DDAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 408589580 DVKAAGIQKSJBCU-SEEODLKFSA-N 318.329 1.841 0 40 DDAB CCc1cccc(CC)c1NC(=O)CN(C)[C@]1(CO)CCOC1 96007188 UAEHPHJEQUUDGP-SFHVURJKSA-N 320.433 1.833 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ccncc3)CC2)cn1 71841292 ZYXZTDXNHAHPOF-HOTGVXAUSA-N 311.389 1.267 0 40 DDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnn[nH]1 71796057 VIBHQTDIHVTFNX-LURJTMIESA-N 301.228 1.625 0 40 DDAB Cc1ccccc1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 71909208 YENOCKHYDHVLAE-UHFFFAOYSA-N 322.361 1.712 0 40 DDAB CNC(=O)[C@@H](NC(=O)[C@H](C)c1ccc2c(c1)OCCO2)C(C)C 89775881 IWXHFQBWAVEGJB-ABAIWWIYSA-N 320.389 1.448 0 40 DDAB CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)OCCc1cccs1 89942192 IOGUWPBXWHTRCP-ZYHUDNBSSA-N 319.448 1.798 0 40 DDAB c1cn(C[C@H]2CCCN(Cc3cc4n(n3)CCNC4)C2)cn1 72172528 GWAMRIZJUQBSGE-AWEZNQCLSA-N 300.410 1.095 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)n1 75602745 GCZPVJKBOONKCO-OAHLLOKOSA-N 316.409 1.735 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H](c3cc(C)[nH]n3)C2)on1 84111054 BFANBNZJDZPIIN-LBPRGKRZSA-N 303.366 1.833 0 40 DDAB CCO[C@H](C)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 72295376 MQLOELFDHZZEEV-HZPDHXFCSA-N 319.449 1.738 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)c3csnn3)CCO2)n1 76046333 LOULXSIPXCWDGM-VIFPVBQESA-N 322.394 1.167 0 40 DDAB O=C(N[C@H]1CC[C@H](C(=O)O)C1)c1cnn(Cc2ccccc2)c1 97039277 SLKRAXLAOJSCIE-ZFWWWQNUSA-N 313.357 1.915 0 40 DDAB COc1ccnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 84240415 QJZNKTNUECPZSN-LLVKDONJSA-N 308.382 1.979 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)no1 97106878 ZQNIZVWPFVDTOU-CYBMUJFWSA-N 319.748 1.950 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCC[C@@H]1O 72301334 UOEQLRREFAOQPN-DYEKYZERSA-N 308.378 1.311 0 40 DDAB C[C@@]1([C@@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O 72300722 IXWZTEUDGAZPDQ-ABAIWWIYSA-N 307.419 1.601 0 40 DDAB CC(C)n1nccc1NC(=O)C1(n2cnnn2)CCCCC1 72402929 GFDNPSYUOVFRDJ-UHFFFAOYSA-N 303.370 1.749 0 40 DDAB COC(=O)c1ccc(CN(C)Cn2ncn(C)c2=S)cc1 95349868 ZARACMDOKNDJMH-UHFFFAOYSA-N 306.391 1.827 0 40 DDAB Cc1ccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)cc1F 95420781 SUFBINOPKAVXDV-LBPRGKRZSA-N 314.382 1.511 0 40 DDAB C/C=C/C[S@](=O)CC(=O)NCCc1c(F)cccc1F 95417658 OIXLZNNTVFOEFH-ZOXCZHJPSA-N 301.358 1.948 0 40 DDAB COC(=O)CN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 95947620 KXOMOYSTCAKLPU-UHFFFAOYSA-N 302.330 1.824 0 40 DDAB C[C@@H](C1CC1)N(C)CC(=O)NCc1cnn(-c2ccccc2)n1 95951849 KFPUTKLCPIOEFU-ZDUSSCGKSA-N 313.405 1.614 0 40 DDAB Cc1noc(-c2cccnc2N2CCS(=O)(=O)[C@H](C)C2)n1 95943151 AGRSVTJETROKBZ-SECBINFHSA-N 308.363 1.063 0 40 DDAB CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95956467 XANOTTUVWKDALS-CQSZACIVSA-N 308.403 1.390 0 40 DDAB CCc1nc(CC)n(CC(=O)NC[C@@H]2Cc3ccccc3O2)n1 89289975 CDFSIQYRZJVSFV-ZDUSSCGKSA-N 314.389 1.523 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1C 74812589 KHFBFFDFYJUULB-UHFFFAOYSA-N 308.403 1.299 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2nc3ccccc3n2C)CCO1 72379540 YNLFFVGYLGTCBM-QGZVFWFLSA-N 316.405 1.252 0 40 DDAB COc1ccccc1N1CC[C@@H](N2CCC[C@]2(C)C(=O)O)C1=O 530207829 RLVSXCZSFLSOGD-CXAGYDPISA-N 318.373 1.740 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NC2(C3CC3)CC2)C1 531613337 MEVUHUHHDDLCDN-NSHDSACASA-N 300.424 1.107 0 40 DDAB C[C@@H](c1nc(CC(=O)NC2CCCCC2)no1)n1ccnc1 78773439 TZFJUFOMROYKBM-NSHDSACASA-N 303.366 1.867 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)o1 72241103 ABJHMMOMPLEHGA-OAHLLOKOSA-N 321.421 1.537 0 40 DDAB C[C@]1(c2cc[nH]n2)CCCN(S(=O)(=O)c2cccnc2)C1 72386080 MWGSASLGPGJTHK-AWEZNQCLSA-N 306.391 1.547 0 40 DDAB C[C@](O)(CNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 75155872 IIXLCZVVHZWTJX-CJNGLKHVSA-N 319.382 1.912 0 40 DDAB COc1ncccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 78879527 KHYWUXYMBWEHIP-NSHDSACASA-N 321.377 1.829 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 238820905 CPYYYOSDKBKMES-VNQPRFMTSA-N 320.389 1.831 0 40 DDAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2CCO)n1 72382368 MSFBJKJIDFNIDF-CYBMUJFWSA-N 314.393 1.838 0 40 DDAB CC(C)OCCCNC(=O)C1CCC(Cn2cnnn2)CC1 44900757 BCZYPNAQXYHTKZ-UHFFFAOYSA-N 309.414 1.411 0 40 DDAB CCOc1nn(C)c2ccc(NS(=O)(=O)CCOC)cc12 227166885 WSHJEEPGFLLPCZ-UHFFFAOYSA-N 313.379 1.360 0 40 DDAB CC(C)(C)n1cnc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)n1 569696913 FGDTVTBSCCNKIZ-LLVKDONJSA-N 314.345 1.862 0 40 DDAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 223204176 BCBMGGIZTMTONU-CYBMUJFWSA-N 318.373 1.792 0 40 DDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NC(C)(C)C 225880584 MEMAZANTJSSLFS-UHFFFAOYSA-N 305.425 1.376 0 40 DDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCCN(C)C)C1 222284312 YMJPXLJAFULGQM-INIZCTEOSA-N 305.378 1.256 0 40 DDAB CCNS(=O)(=O)CCNC(=O)c1cccc(C)c1Cl 195545711 HEWOQUIRQZSBJO-UHFFFAOYSA-N 304.799 1.318 0 40 DDAB COCc1noc(CCNc2nccc(C(F)(F)F)n2)n1 95363224 VBXZLOWZVOBPIN-UHFFFAOYSA-N 303.244 1.679 0 40 DDAB C[C@H](C(N)=O)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1 96454350 NQABRUNKGHLYMX-MASHWEEQSA-N 319.380 1.247 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96158074 GQGVWPYNBTXVMP-INIZCTEOSA-N 323.462 1.719 0 40 DDAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)n1 96058239 KXYIQYSASYLULR-MELADBBJSA-N 303.366 1.464 0 40 DDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C[C@@H]3CCOC3)CC2)N1 96069780 WQPNEPXQYKCQQY-HOCLYGCPSA-N 315.417 1.556 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(F)cc(F)c1 96412826 SVBUJGWWVJCJIZ-RKDXNWHRSA-N 303.330 1.612 0 40 DDAB Fc1cnc(N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)nc1 96042587 IJSMWXRFWXYJTO-NFAWXSAZSA-N 316.336 1.826 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2)O1 96040878 IVOQKLZXHAZFQB-ZACQAIPSSA-N 318.417 1.571 0 40 DDAB Fc1ccc(CN2C[C@@H]3OCCN(c4ncccn4)[C@@H]3C2)cc1 96054431 BQRQMQNMRGIYJV-CVEARBPZSA-N 314.364 1.705 0 40 DDAB CN(C)C(=O)N[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 96186835 IZOGQTZHIDLVMR-BFHYXJOUSA-N 309.435 1.751 0 40 DDAB c1coc(CN2CCc3nnc(CN4CCCCC4)n3CC2)c1 96259887 VACQSXFQJUOZNS-UHFFFAOYSA-N 315.421 1.915 0 40 DDAB COc1ccc(CC(=O)N2CC[C@H](N(C)C)C[C@H]2C(=O)O)cc1 96068960 RDIZQSCAQWNMAI-ZFWWWQNUSA-N 320.389 1.244 0 40 DDAB 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314.433 1.850 0 40 DDAB CCNC(=O)NC(=O)[C@H](Sc1n[nH]c(N)n1)c1ccccc1 5473158 POSKEIPRASNSCD-SECBINFHSA-N 320.378 1.066 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(N(C)C)cc1 6623023 SJMFEJLSVKRWFL-LLVKDONJSA-N 320.345 1.511 0 40 DDAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccncc2)c1 67010446 QIARKLVISSCELW-GFCCVEGCSA-N 305.403 1.841 0 40 DDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)C2 90168893 NXDPSEFEVIFVGK-LBPRGKRZSA-N 323.422 1.262 0 40 DDAB C[C@H]1CN(CCN2C(=O)CCC2=O)[C@@H](c2ccccc2)CO1 110642630 AARVKRRCYDLEIZ-DZGCQCFKSA-N 302.374 1.597 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 8877488 IOAAGQITDKNHCF-LBPRGKRZSA-N 312.391 1.366 0 40 DDAB COCCN1CCN(Cc2cn3cccc(C)c3n2)C[C@H]1C 71877560 GXFORRACVZUIGG-OAHLLOKOSA-N 302.422 1.795 0 40 DDAB CCn1c(Cn2cnnc2[S@@](C)=O)nc2cc(F)ccc21 71899923 HOWQQDPMIQTNNI-NRFANRHFSA-N 307.354 1.573 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 71856703 AXJOIZCFEVOIAT-KGLIPLIRSA-N 322.409 1.296 0 40 DDAB COc1ccc(/C=C/C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1F 71823452 PXVADPVEMLTWNZ-PJKPIPPESA-N 320.364 1.960 0 40 DDAB Cc1cc(Oc2cccc(S(C)(=O)=O)c2)n2ncnc2n1 71955221 YGBXVSLPGQQPHY-UHFFFAOYSA-N 304.331 1.629 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Sc2ccccc2)C1=O 9867475 GCACAPRYQJUDAM-BMIGLBTASA-N 321.402 1.919 0 40 DDAB CCc1[nH]ncc1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 75602721 BXMZVEFKRRLICF-GFCCVEGCSA-N 302.382 1.658 0 40 DDAB Cc1cc([C@@H]2NC(=O)c3cccnc3N2)ccc1-n1cncn1 76065196 JDLQPDLZAJQSLL-AWEZNQCLSA-N 306.329 1.825 0 40 DDAB CNC(=O)NC(=O)CN(CCN1CCCC1)Cc1ccccc1 72275084 HQCQCIATNACTEF-UHFFFAOYSA-N 318.421 1.040 0 40 DDAB Cc1cccc(N2CCN(CCNCc3c[nH]nc3C)CC2)c1 97159561 ZHMYLWBRFLABQI-UHFFFAOYSA-N 313.449 1.938 0 40 DDAB Cc1cccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)n1 97142792 YDQWVTYIAKUDHK-HNNXBMFYSA-N 319.453 1.784 0 40 DDAB CC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)C1CCCC1 97197777 IEVVJAZGKVFYGR-UKRRQHHQSA-N 304.394 1.009 0 40 DDAB CC1(C)[C@@H](C(=O)N2c3ccccc3C[C@H]2C(=O)O)[C@H]1C(=O)O 72402076 CASGVVWONVPEQW-TUAOUCFPSA-N 303.314 1.386 0 40 DDAB CN1N=C(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)CCC1=O 95389920 GVHUEFRQIFUICU-GFCCVEGCSA-N 321.308 1.066 0 40 DDAB COc1cccc(CC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 77991471 NLCOGAOGNNFOCQ-CYBMUJFWSA-N 303.280 1.763 0 40 DDAB CN1CCN(C[C@H](O)COC[C@@H]2CCCO2)c2ccc(F)cc21 95432214 VMOPSDALXRPRQF-GJZGRUSLSA-N 324.396 1.638 0 40 DDAB O=C(Cc1cccnc1)NCCS(=O)(=O)c1ccccc1F 73128038 YUSNCWAMRJQXBC-UHFFFAOYSA-N 322.361 1.353 0 40 DDAB CC(C)c1cnc(CN2CCO[C@H](CNc3cccnn3)C2)o1 78893884 DFLJMWJCTGYUOM-CYBMUJFWSA-N 317.393 1.901 0 40 DDAB CC1(C)C(=O)NCCN1S(=O)(=O)c1cc2ccccc2o1 84937971 DYWCIVBMUIDNAR-UHFFFAOYSA-N 308.359 1.332 0 40 DDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)CC1 95971091 TWDOJYDCCASACL-JYJNAYRXSA-N 321.465 1.670 0 40 DDAB COc1cccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)c2ccco2)c1 79502245 APSPQNSSZOXOBT-UHFFFAOYSA-N 314.301 1.547 0 40 DDAB CC(=O)N1CCC[C@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 72360546 CCXUHGUAUQKHQZ-CQSZACIVSA-N 316.405 1.514 0 40 DDAB O=C(O)c1cn([C@H]2CCCC[C@H]2NC(=O)C2CCCC2)nn1 1551457181 AAAFSHPEFJUPBW-YPMHNXCESA-N 306.366 1.766 0 40 DDAB Cc1cc(CC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)n(C)n1 517239418 UTRJQYHTQUTQLW-AWEZNQCLSA-N 301.394 1.975 0 40 DDAB CS(=O)(=O)CCS[C@H](C(=O)NC1CC1)c1ccccc1 78614951 VFIWBDJTHLCIOG-ZDUSSCGKSA-N 313.444 1.784 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cccc(-n2ccnc2C)n1 72378469 FCXFQFDAPSTPFH-CQSZACIVSA-N 300.362 1.886 0 40 DDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1C[C@H]1C 78925559 RQMZAQMRESYCSW-YPMHNXCESA-N 306.362 1.982 0 40 DDAB CCCCCC(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321055 OMFVWPDYKKRAMY-RHSMWYFYSA-N 320.389 1.754 0 40 DDAB biogenic,in-vitro Cc1cc(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H](O)C2)no1 72341655 HMPXAWRJDDKDOD-LSDHHAIUSA-N 315.373 1.772 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1F 73742993 MDFOLRUDAWJXSJ-LLVKDONJSA-N 311.332 1.504 0 40 DDAB COc1cccc(NC(=O)NCc2ccnc(N(C)C)n2)c1 224237153 MEPXQOXMEGXBBE-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB COc1cc(C)n(CCNC(=O)Cc2c(C)noc2C)c(=O)c1 225615805 PZZVMKYARYQYCD-UHFFFAOYSA-N 319.361 1.129 0 40 DDAB Cc1cccc(S(=O)(=O)NCc2nccc(N(C)C)n2)c1 224194513 GPJHOSMXXZPQIY-UHFFFAOYSA-N 306.391 1.330 0 40 DDAB CCC[C@H]1c2ccccc2CCN1C(=O)CS(=O)(=O)NC 83610444 SXMCUOUHHZKZGY-AWEZNQCLSA-N 310.419 1.462 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)N[C@H]1CCN(C)C(=O)C1 192657596 WVLNKKSKRZHILG-JTQLQIEISA-N 300.355 1.033 0 40 DDAB O=C(O)c1coc(CN2CCN(c3cc(F)ccc3F)CC2)n1 571887298 CEURAJDGISOQJL-UHFFFAOYSA-N 323.299 1.973 0 40 DDAB CC[C@H](C)NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 44873559 ZLQLWYFWACJUEN-VIFPVBQESA-N 310.350 1.096 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3scnc3C)C[C@H]21 96043330 IZBZASIUIJIVHJ-FRRDWIJNSA-N 309.435 1.425 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(C(=O)CN(C)C)C[C@H]3C2)cc1 96063661 AGKYILHEMFUUNM-CALCHBBNSA-N 301.434 1.447 0 40 DDAB O=C(O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccc2ccccc2c1 95883199 PYUFGFZTDDLMLZ-ZFWWWQNUSA-N 315.325 1.265 0 40 DDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1cnn(C)c1 95478885 PHPUPWFUJBAGLG-UHFFFAOYSA-N 315.308 1.216 0 40 DDAB COc1ccc(N2CCC[C@H](C(=O)Nc3nccs3)C2)nn1 95473302 DKYUIQRNYWKEGR-JTQLQIEISA-N 319.390 1.797 0 40 DDAB c1cnc(N[C@H]2CO[C@]3(CCN(CC4CCOCC4)C3)C2)nc1 96047752 JIVXQNRSGGPCQW-NVXWUHKLSA-N 318.421 1.549 0 40 DDAB CCO[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 97372151 OPSFZIBCPRKDOF-ZWNOBZJWSA-N 310.781 1.765 0 40 DDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96058054 NTPJSXHFCCTSDI-OUCADQQQSA-N 312.391 1.042 0 40 DDAB COCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159733 CGYLAZRULWPWCM-KRWDZBQOSA-N 320.364 1.423 0 40 DDAB CO[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1cnn(C)c1 96200609 VKXGRWXXEBPJHQ-KBPBESRZSA-N 304.350 1.189 0 40 DDAB Cc1ccc(CN2CCn3c(Cn4cncn4)cnc3C2)s1 96061826 QDSCZTVVTXJGRQ-UHFFFAOYSA-N 314.418 1.909 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257225056 FEPKIRIEJVBKSK-OAHLLOKOSA-N 315.377 1.362 0 40 DDAB COc1ccc2nnc(CNC(=O)Cc3cccs3)n2n1 253405121 RUJALYSEZWFEMZ-UHFFFAOYSA-N 303.347 1.053 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H](c2ccncn2)C1 257211057 BXIPOGUMAOZPFQ-SNVBAGLBSA-N 303.391 1.910 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)Cc2c[nH]cn2)cc1 257312520 UOIPSCZBQRNIRR-OAHLLOKOSA-N 300.362 1.134 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2[nH]cnc2C)n1 257276574 NUIQXALDDNTHET-INIZCTEOSA-N 314.393 1.481 0 40 DDAB Cc1ncc(CNC(=O)c2cscn2)c([C@H]2CCCN2C)n1 257213511 CHWACLBYJLXEMW-CYBMUJFWSA-N 317.418 1.938 0 40 DDAB Cc1ncc(CNC(=O)C2CCOCC2)c([C@@H]2CCCN2C)n1 257314803 UYMMCNLSQZVONE-HNNXBMFYSA-N 318.421 1.595 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257232462 GKYCJIZUAYCMNK-JFIYKMOQSA-N 303.402 1.498 0 40 DDAB COc1ccc([C@@H](C)C(=O)Nc2ncn(CC(=O)O)n2)cc1 647781055 ZOKPVJUNYCTXEG-SECBINFHSA-N 304.306 1.114 0 40 DDAB Cc1ccoc1C(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093460 XZJDHXLABVXWDU-CQSZACIVSA-N 312.316 1.918 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1ccccn1 585182046 ZGEUDQJSYGFERP-CYBMUJFWSA-N 320.418 1.935 0 40 DDAB COC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)NC(C)=O 669369796 JOVIIHNCLLVGAG-WDZFZDKYSA-N 309.318 1.362 0 40 DDAB O[C@H]1CN(CC2(O)CCOCC2)CC[C@@H]1Cc1cccc(F)c1 585280165 YXODJEKASUMZQZ-WBVHZDCISA-N 323.408 1.593 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@]3(CCN3C[C@H]3CCCO3)C2)no1 585101952 NESDCJOAADSVKG-RHSMWYFYSA-N 319.405 1.843 0 40 DDAB COCCN(C(=O)CCC1CCCC1)[C@H]1CCS(=O)(=O)C1 69643099 BKSAUHFTOPGRBF-AWEZNQCLSA-N 317.451 1.619 0 40 DDAB C[C@H](O)CN1CCC(CN(C)C[C@H](O)c2ccc(F)cc2)CC1 71871588 REARDKSSSHKOOP-KSSFIOAISA-N 324.440 1.884 0 40 DDAB COc1cc(OC)c2c(c1)O[C@]1(C(=O)CC(=O)C[C@H]1C)C2=O 205482862 WHASGVKEKOYBSQ-VPTHRUTESA-N 304.298 1.586 0 40 DDAB in-vitro O=C(O)[C@@H](Cc1ccccc1)NC[C@H](O)COc1ccccc1 5603643 OKPCGPWXKRZABC-DOTOQJQBSA-N 315.369 1.712 0 40 DDAB COCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 12221024 GVXSKSOVMRYMOG-ZDUSSCGKSA-N 318.421 1.853 0 40 DDAB CCOC(=O)c1ccc(N2CCN(C(=O)CC)CC2)c(N)c1 13609003 HDKOVNTZHOESEV-UHFFFAOYSA-N 305.378 1.504 0 40 DDAB CC(C)(C)OC(=O)N[C@H](CNOCc1ccccc1)C(N)=O 17128448 XTDHOFRFHKDGFF-GFCCVEGCSA-N 309.366 1.086 0 40 DDAB Cn1cccc1[C@H](O)CNC(=O)c1cncc(Br)c1 206697280 GEHXPEOQCFAAPB-GFCCVEGCSA-N 324.178 1.646 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](n2ccnn2)C1 206934336 COECQUQJBNJXHM-GFCCVEGCSA-N 310.354 1.361 0 40 DDAB CCOP(=O)(OCC)O/C(=C/C(=O)OC)CC(=O)OC 1592109 YGFYXQXOXCSYJW-VQHVLOKHSA-N 310.239 1.804 0 40 DDAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCOC1 618255781 IXRLUDUDKWNHQR-AWEZNQCLSA-N 317.307 1.906 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCN(c2cccc3[nH]ccc23)CC1 527797279 KNEBXZYTUKRJFE-UHFFFAOYSA-N 324.388 1.923 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1cccs1 238927596 UTUNPTRMOBXOEY-SNVBAGLBSA-N 300.409 1.343 0 40 DDAB CC(C)C(=O)Nc1ccc(SCC(=O)N2CCOCC2)nn1 13702117 WTFIYZHMOGCYKD-UHFFFAOYSA-N 324.406 1.022 0 40 DDAB Cn1c(N2CCO[C@@H](C(=O)N3CCCC3)C2)nc2ccccc21 1889130351 ICSUEDLRLQDFRD-OAHLLOKOSA-N 314.389 1.401 0 40 DDAB CCOC(=O)C1=CN(CCc2ccccc2)S(=O)(=O)N=C1C 1889237642 OWMJRFDMEPEQFR-UHFFFAOYSA-N 322.386 1.697 0 40 DDAB CN(Cc1cccnc1)S(=O)(=O)c1ncn(C)c1Cl 35216171 LSOJVEOTYYKFLR-UHFFFAOYSA-N 300.771 1.289 0 40 DDAB O=C(c1cccnc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775985943 KDZJMPLMZHJFRW-UHFFFAOYSA-N 310.357 1.288 0 40 DDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(O)cc1 85413741 YNMDEEIJGDFDRK-GXTWGEPZSA-N 302.282 1.720 0 40 DDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]1O2 1565545958 SNKGGTOGMMWMLK-MELADBBJSA-N 305.378 1.016 0 40 DDAB CCCCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 9708608 XFXJUYVMKWPRLK-UHFFFAOYSA-N 304.350 1.830 0 40 DDAB O=C(c1ccoc1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206694079 RYJWMPPYRPORPK-ZDUSSCGKSA-N 309.343 1.702 0 40 DDAB O=C(NCc1cccs1)N1CCC(N2C(=O)COC2=O)CC1 585326734 DQRCXHLXKSBHFC-UHFFFAOYSA-N 323.374 1.401 0 40 DDAB CCOc1cc(C=O)ccc1OCCN1CCN(CC)CC1 20131586 ULSUDORSHFZDDS-UHFFFAOYSA-N 306.406 1.914 0 40 DDAB Cc1csc(=O)n1CC(=O)Nc1nc2c(s1)CN(C)CC2 23608498 DVZRWUCEANZZRX-UHFFFAOYSA-N 324.431 1.301 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCc3sccc3C1)C2 69461805 MXJCBYDUJJXWHV-UHFFFAOYSA-N 317.418 1.049 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nncs3)ccc12 148449 QDWVMPWRBMUURS-UHFFFAOYSA-N 317.326 1.970 0 40 DDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccccc1 7509710 NLOMEPOSEPCRMT-UHFFFAOYSA-N 318.398 1.681 0 40 DDAB O=c1cc(CN2CCCC[C@@H]2C2OCCO2)nc2ccccn12 69490865 YKCRDPVJBFQASV-CQSZACIVSA-N 315.373 1.422 0 40 DDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCOc1ccccc1 11185360 MFOSPCBIMAVHHQ-LBPRGKRZSA-N 305.378 1.374 0 40 DDAB CC(C)CCOC(=O)CCNC1=NS(=O)(=O)c2ccccc21 45538154 WAZNFAKTPWMNDV-UHFFFAOYSA-N 324.402 1.705 0 40 DDAB Cc1ccsc1CN(C)CC(=O)N[C@@H]1CCCCNC1=O 40528217 WRVHXVOVJUERGZ-GFCCVEGCSA-N 309.435 1.273 0 40 DDAB CCOC(=O)[C@]12CCC(=O)C[C@]1(O)CCC1(C2)OCCCO1 1727035 BEIFTWJQMHSNMF-HUUCEWRRSA-N 312.362 1.337 0 40 DDAB O=C(O)CSc1nc2ccccc2nc1SCC(=O)O 2478331 VXZYVBJXPAOBBC-UHFFFAOYSA-N 310.356 1.983 0 40 DDAB C[C@H](NCC(=O)N[C@H]1CCCCNC1=O)c1ccccc1Cl 51562969 NJHFGFNCWKMMFM-FZMZJTMJSA-N 323.824 1.776 0 40 DDAB CN(C[C@H]1CCCOC1)C(=O)Cn1nnc(-c2ccccc2)n1 107643245 VUQDMCSJXNAAKT-CYBMUJFWSA-N 315.377 1.225 0 40 DDAB CN(C)CCCNc1c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c(=O)c1=O 101676155 RYXJDOGPEZIOET-AVGNSLFASA-N 303.406 1.270 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)CN1CSCC1=O)OCO2 8039292 CMSKLVZQAPGYST-UHFFFAOYSA-N 322.342 1.089 0 40 DDAB CN(C)c1ncc(CNC(=O)C2=Cc3ccccc3OC2)n1C 75138497 ZWJVYHWBQNYUKG-UHFFFAOYSA-N 312.373 1.578 0 40 DDAB CCc1nnsc1C(=O)NC1CCN(c2ncccn2)CC1 32931415 TWCOTYGJESWADA-UHFFFAOYSA-N 318.406 1.289 0 40 DDAB COc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1 32930109 PQXCJCKLMXCSGN-UHFFFAOYSA-N 312.373 1.884 0 40 DDAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3CC3)cc2)nn1 9626961 XAHKPNHPGQUOGX-UHFFFAOYSA-N 317.370 1.896 0 40 DDAB CC(=O)N[C@H](CC(=O)NC[C@@H]1CCOC1)c1ccc(C)cc1 41369973 XPQPZVSLKJXSMN-GOEBONIOSA-N 304.390 1.715 0 40 DDAB Cc1nc(C(=O)NC[C@H]2CCOC2)nn1-c1ccc(F)cc1 41371724 DREMEMAZTBFQGN-LLVKDONJSA-N 304.325 1.481 0 40 DDAB CC1(C)Oc2ccccc2N(CCC(=O)NCCC(=O)O)C1=O 33520762 YCRVTJMJMGCHJV-UHFFFAOYSA-N 320.345 1.172 0 40 DDAB CCOc1ccc(C(C)=O)cc1CN1C(=O)CC(=O)NC1=S 106993659 VDYQOWRSLNIOSP-UHFFFAOYSA-N 320.370 1.421 0 40 DDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCC3CC3)ccc21 22971871 DLQWATRQOQBRNX-UHFFFAOYSA-N 308.403 1.539 0 40 DDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccsc2)s1)c1ccncc1 102815540 JUGUPDWYWPEWHR-PVRNWPCDSA-N 314.391 1.385 0 40 DDAB O=C(CCc1ccsc1)N1CCC(N2CCNC2=O)CC1 54318313 QTUDZHBCQCLQIX-UHFFFAOYSA-N 307.419 1.697 0 40 DDAB CN(Cc1nc2ccccc2s1)C[C@@H](O)CN1CCOCC1 25233599 WHCWHHAWZXCPOQ-CYBMUJFWSA-N 321.446 1.421 0 40 DDAB CCN1CCC(NC(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 47980326 BVYGJNUZEYRDLJ-UHFFFAOYSA-N 324.469 1.417 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCN(c2cnccn2)CC1 25836190 DYSOAVREONADDK-UHFFFAOYSA-N 322.372 1.016 0 40 DDAB CC(=O)c1c(Nc2ccc(S(N)(=O)=O)cc2)oc(C)cc1=O 27525975 DBGBSIJNBQMWBA-UHFFFAOYSA-N 322.342 1.542 0 40 DDAB Cc1cc(NC(=O)NCCCn2nc3ccccn3c2=O)no1 58015503 CGGSZZOMBVZEEN-UHFFFAOYSA-N 316.321 1.004 0 40 DDAB CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 58024526 UPOGMDIRLGQCBV-AWEZNQCLSA-N 304.390 1.830 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccc(O)cc2)CC1 58246341 VQNIYVJSHZMBBM-LLVKDONJSA-N 308.403 1.564 0 40 DDAB CCOc1ccc(Cl)cc1NC(=O)Cn1cccnc1=O 58227550 AXNDRTHQKCDKKW-UHFFFAOYSA-N 307.737 1.934 0 40 DDAB COCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 44945397 BNCMYQSYKAXDKM-STQMWFEESA-N 322.409 1.141 0 40 DDAB COc1ccc2oc(C)c(C(=O)NC[C@H]3CN(C)CCO3)c2c1 58328644 XXBHMCNMUMAUAT-ZDUSSCGKSA-N 318.373 1.810 0 40 DDAB O=C(CN1CCNCC1)Nc1ccccc1OC(F)(F)F 23292114 FOQLXLBPEAFTOK-UHFFFAOYSA-N 303.284 1.429 0 40 DDAB CCn1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cn1 58380790 WHRBLPMJNSRKQO-UHFFFAOYSA-N 308.363 1.527 0 40 DDAB COC(=O)[C@H](C)CN(C)C(=O)[C@H]1COc2cc(OC)ccc2C1 58403367 BCCFDKVDTXQIAZ-DGCLKSJQSA-N 321.373 1.514 0 40 DDAB O=C(O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 7813663 VOKUNIHUYJCIJL-UHFFFAOYSA-N 302.377 1.043 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 48262444 UJDGJEKXTLFOKJ-AWEZNQCLSA-N 313.357 1.648 0 40 DDAB CN(C)c1nc(N)nc(COc2ccc(-n3ccnc3)cc2)n1 48264775 YQXVWTJPEBQAGO-UHFFFAOYSA-N 311.349 1.285 0 40 DDAB CC(C)CN(CC(N)=O)C(=O)c1nc(Cl)ccc1Cl 38105107 INHZAFLDVXNXCH-UHFFFAOYSA-N 304.177 1.972 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)N(C)C1CCCCC1 48666460 KJVCCSLTCQYIKO-UHFFFAOYSA-N 305.444 1.083 0 40 DDAB CCC(CC)NC(=O)COC(=O)[C@H]1COc2ccccc2O1 6050681 MVLIPBWMCJRDRH-CQSZACIVSA-N 307.346 1.674 0 40 DDAB CCCCNC(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 65397878 YGQMFFUWUJTFRF-UHFFFAOYSA-N 319.409 1.444 0 40 DDAB Cc1noc(CCNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1 69570755 NYKTWBFULVQFKY-WCQYABFASA-N 310.398 1.815 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1C[C@H](C(N)=O)CC[C@H]1C 65547583 RWZPBXIXAUTSJH-DGCLKSJQSA-N 317.389 1.414 0 40 DDAB C[C@H](NC(=O)N1CC[C@H](C(N)=O)C1)C(C)(C)c1ccccc1 69631719 QTQYMTPLEOKWMT-STQMWFEESA-N 303.406 1.870 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](n2cccn2)C1 65608434 PWYIZYAPXBNUIG-ZDUSSCGKSA-N 310.361 1.492 0 40 DDAB NC(=O)Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1 14331221 RVSBSEMQGOSQHR-UHFFFAOYSA-N 314.370 1.833 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CCCCN1CC(C)C)C2 69778959 KYBDTMDYMRFPFQ-AWEZNQCLSA-N 305.426 1.439 0 40 DDAB c1ccn2cc(CN3CCN(C[C@H]4CCCO4)CC3)nc2c1 66564184 WMGXZJVOWWHEAV-MRXNPFEDSA-N 300.406 1.631 0 40 DDAB CN(C)C(=O)[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1 6830486 INBNVLAZJYLDHN-LBPRGKRZSA-N 303.391 1.563 0 40 DDAB COCCc1noc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)n1 69948843 WQKRKQXQYYGBOM-UONOGXRCSA-N 322.409 1.234 0 40 DDAB NC(=O)[C@H]1CCCCN1Cn1nc(-c2ccncc2)oc1=S 8734101 RPSFWYJSYHNCNF-LLVKDONJSA-N 319.390 1.565 0 40 DDAB CCC[C@H]1NC(=O)N(CCOc2ccccc2C(C)=O)C1=O 8734073 HTDPSDRUPXLBGJ-CYBMUJFWSA-N 304.346 1.989 0 40 DDAB COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(F)c1 7268274 NWFKOPDMPPUTRG-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB CCN1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9015960 CWECJQUIXGBIGT-MRXNPFEDSA-N 301.346 1.072 0 40 DDAB CCO[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)c1ccccc1 71871371 QHPWMUFTOIRPAT-HOCLYGCPSA-N 306.406 1.289 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 71836422 KIQHPKNMVBZPGS-LURJTMIESA-N 303.181 1.458 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@@H](C)OC(C)(C)C1 71831150 PDQVFIHXHWSAHG-SECBINFHSA-N 319.361 1.474 0 40 DDAB O=C(CCc1ccsc1)N1CCC[C@@H](N2CCNC2=O)C1 71830588 LZHDELCWCKDLOM-CYBMUJFWSA-N 307.419 1.697 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 71837304 KESLGCAKUJJYNF-CABCVRRESA-N 319.380 1.979 0 40 DDAB Cc1ncsc1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71826707 IQJFJBCCVNFJIO-LLVKDONJSA-N 321.377 1.665 0 40 DDAB NC(=O)[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1 71793247 LQOIBBCKBVGKMB-KRWDZBQOSA-N 322.368 1.769 0 40 DDAB CCn1ccnc1CN1CCN(Cc2cnc(C)cn2)C[C@@H]1C 83843629 QVQPKFPBDGPEOV-HNNXBMFYSA-N 314.437 1.708 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2cccc(Cl)c2)CC1 9613734 PZZLLYIXIJCUSG-UHFFFAOYSA-N 317.776 1.991 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 97051658 QIGHSDJBTNHSHM-ZDUSSCGKSA-N 304.362 1.478 0 40 DDAB CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)CS(=O)(=O)N(C)C 97107329 XQERQZXREHFZCG-CHWSQXEVSA-N 304.456 1.551 0 40 DDAB CC[C@@H](O)CN1CCC(NC(=O)Nc2nc(C)cs2)CC1 89943321 WBGWPIKPVZQNIE-GFCCVEGCSA-N 312.439 1.808 0 40 DDAB CC[C@@](C)(NCCC(=O)N1CCOCC1)c1nc(C)cs1 72864883 RXCDYSZHPUBWLK-OAHLLOKOSA-N 311.451 1.915 0 40 DDAB O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCOC1 95394958 MLJYEHCZTGGNNL-MRXNPFEDSA-N 318.417 1.814 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)n[nH]1 95410049 BIGWBULYZGZAKE-NSHDSACASA-N 319.409 1.730 0 40 DDAB NC(=O)c1ccnc(NC[C@H]2CCN(CC(F)(F)F)C2)c1 95410649 CWWLIBDJBNMCCX-SECBINFHSA-N 302.300 1.477 0 40 DDAB CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)[C@H](C)C1 78899150 DZFMVOXURIRKIM-BXUZGUMPSA-N 310.419 1.240 0 40 DDAB CN(C)[C@H](CNC(=O)NCC[S@@](C)=O)c1cccs1 89312267 SXZQHACIUSKWHT-DGIBIBHMSA-N 303.453 1.029 0 40 DDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC(n2cccc2)CC1 60452388 SMILJNHZIKXZDZ-CYBMUJFWSA-N 312.435 1.865 0 40 DDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cc[nH]n2)on1 548680017 CZIMLCKYHHGJKJ-JSGCOSHPSA-N 307.373 1.751 0 40 DDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)C(=O)O)cc1 218581466 RAQRABVSSMLRLU-IPYPFGDCSA-N 311.403 1.179 0 40 DDAB CC(=O)N1CCC[C@H](c2cc(CCC(=O)N(C)C)nc(C)n2)C1 72366972 DODDAHPMMSKIPO-AWEZNQCLSA-N 318.421 1.532 0 40 DDAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(N)=O)c2s1 32615810 BELSZAVPGYMBIZ-UHFFFAOYSA-N 306.372 1.375 0 40 DDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32639800 PLQGYFQLOUOXTR-CMPLNLGQSA-N 314.407 1.920 0 40 DDAB O=C(NC[C@H]1CCN(C2CC2)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 120235361 FZURSFZPKWBGOO-ZIAGYGMSSA-N 319.449 1.378 0 40 DDAB CC(C)[C@H](N)C(=O)N(Cc1cccc2c1OCCO2)C1CC1 79421486 JBQAVISKRGMWFG-HNNXBMFYSA-N 304.390 1.932 0 40 DDAB COc1ccc2[nH]cc(CC(=O)N3CCC[C@H]3C(N)=O)c2c1 79046917 KEKPXJZBPBHHPL-AWEZNQCLSA-N 301.346 1.195 0 40 DDAB CCN(CC)[C@@H](C)CNS(=O)(=O)N(C)C1CCCCC1 45741970 CBMXXFBZIFMQHH-ZDUSSCGKSA-N 305.488 1.816 0 40 DDAB O=C(NCCc1ccccc1)C(=O)Nc1n[nH]c2ncccc12 40288183 APEHMBPBCCWHLS-UHFFFAOYSA-N 309.329 1.255 0 40 DDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 225929068 DFBXYTWSIPFZRI-CYBMUJFWSA-N 312.435 1.839 0 40 DDAB CCCCOCC(=O)N1CCCN(c2nc(C)ns2)CC1 81303766 YYNMFSKHYNSXMA-UHFFFAOYSA-N 312.439 1.702 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)o1 32827113 LELXJCLVYZJBLK-UHFFFAOYSA-N 308.359 1.460 0 40 DDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NC1CCCCC1 225876970 RLDDUSZDLYRVAB-UHFFFAOYSA-N 317.436 1.886 0 40 DDAB Cc1cc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)no1 75156944 WTKFOKXDYMKNJW-UHFFFAOYSA-N 317.345 1.858 0 40 DDAB CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CCCN1 195554748 QCRSDGPOJVHOPT-TZMCWYRMSA-N 310.419 1.107 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccc(C)c(C)c1 96245765 CTTWZIWEUHNYRX-HZPDHXFCSA-N 316.401 1.765 0 40 DDAB COCC(=O)N1CC[C@@]2(CC[C@H](C(=O)N3CCCC3)O2)[C@H](C)C1 96087385 NIFFIFPVLLNSGQ-CPUCHLNUSA-N 324.421 1.041 0 40 DDAB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2nccn2C)COC1 96112817 AUOMUFKXKZASKO-ZDUSSCGKSA-N 311.389 1.939 0 40 DDAB biogenic,in-vitro Cc1cnc(NCCNS(=O)(=O)c2ccccc2)nc1C 96486605 YTJZEIULLINANJ-UHFFFAOYSA-N 306.391 1.484 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1ccc3c(c1)CCO3)CC2 97198654 BZYSOEZHMWFKAP-AWEZNQCLSA-N 312.373 1.195 0 40 DDAB CCOCC(=O)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96207216 FCQXAFJPAGYSGO-RDJZCZTQSA-N 320.389 1.647 0 40 DDAB CCS(=O)(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 96110757 ACCBGSUGLOYQMD-ZIAGYGMSSA-N 308.403 1.606 0 40 DDAB CCOC(=O)COc1ccc(NC(=O)Nc2cc[nH]n2)cc1 330033047 VUSNJMVAHVYIQD-UHFFFAOYSA-N 304.306 1.996 0 40 DDAB O=C(N1CCCC1)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96047767 FNNNXCHUZKZACM-BBRMVZONSA-N 317.393 1.338 0 40 DDAB Nc1noc(CCNC(=O)[C@@H]2SCCc3ccccc32)n1 96449851 CTJQMQIXDARCIY-GFCCVEGCSA-N 304.375 1.341 0 40 DDAB Fc1cnc(N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)nc1 96207457 LAEWENJFQIKYEV-GDBMZVCRSA-N 306.385 1.839 0 40 DDAB CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccccc1)C2 96108696 KVNPEMUSMPHHLL-AEFFLSMTSA-N 318.417 1.240 0 40 DDAB COCc1nn(CC2CC2)c2c1CN(C(=O)c1ccno1)CC2 96259818 IYGFAPUZQJOUPM-UHFFFAOYSA-N 316.361 1.626 0 40 DDAB COc1ccccc1-n1ccnc(N2CCC(N)CC2)c1=O 96530566 SNOFRBGZSAQUJV-UHFFFAOYSA-N 300.362 1.169 0 40 DDAB O=C(NCC[C@H]1CCOC12CN(C1CCC1)C2)c1cccnc1 247479034 IHPDNSFAWMHZRI-HNNXBMFYSA-N 315.417 1.845 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)ccn1 257337549 YTGMPQBVRMQCIR-HNNXBMFYSA-N 300.362 1.646 0 40 DDAB C[C@@](NC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)O)C1CC1 540703837 RLSLZZBPHCGTPU-INIZCTEOSA-N 317.345 1.199 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257200347 ACXRWTGSKFZQPF-CYBMUJFWSA-N 320.393 1.021 0 40 DDAB Cc1cc(C(F)(F)F)nc([C@]2(C)CCCN2CC(N)=O)n1 257224002 DZWKFIKJVVUICV-LBPRGKRZSA-N 302.300 1.600 0 40 DDAB C[C@@]12C[C@H](CNC(=O)c3cccnc3O)N[C@@H]1CCCC[C@@H]2O 257233947 GRLWZWFJXGWAGU-MBMVNNNZSA-N 319.405 1.189 0 40 DDAB CC(=O)Oc1ccccc1C(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)O 253488366 AJKFRUOUFGUWKO-DTWKUNHWSA-N 324.285 1.174 0 40 DDAB Cc1ccc(CC(=O)N2CC[C@](O)(CN3CCCC3)C2)s1 257233673 GQETZVRNSMCPIR-INIZCTEOSA-N 308.447 1.658 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260895235 HGXDLNAFZZDNRP-SLEUVZQESA-N 322.430 1.855 0 40 DDAB O=S(=O)(NC1CCN(c2nccs2)CC1)c1cccnc1 96099842 KRZIPAMRMZKCMR-UHFFFAOYSA-N 324.431 1.485 0 40 DDAB COCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575403307 HQURSFJLJMZQSR-SNVBAGLBSA-N 312.366 1.332 0 40 DDAB CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCC2 585094125 DREVCQOZBVTNDN-CQSZACIVSA-N 322.430 1.368 0 40 DDAB CO[C@](C)(C(=O)Nc1nc(-c2cnn(C)c2)ns1)C1CC1 900795386 JIWWNYQBGQIKDZ-ZDUSSCGKSA-N 307.379 1.692 0 40 DDAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccoc1 45836062 UMSSGVPKSYNSIV-UHFFFAOYSA-N 308.284 1.994 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 49396282 HNRNRYLNESHRCZ-CYBMUJFWSA-N 304.390 1.706 0 40 DDAB O=C(NCC1CCCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 51189853 MEXBKOFLLAMEAP-OAHLLOKOSA-N 323.437 1.457 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C1 65608149 WHTZUAXRFIDPAE-KGLIPLIRSA-N 322.409 1.192 0 40 DDAB O=C(NCCc1nnc2ccccn12)c1cccc2c1OCCO2 67140205 GNOOVOBTYGYOEO-UHFFFAOYSA-N 324.340 1.473 0 40 DDAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N1CCO[C@H]2CCCC[C@@H]21 70039524 ZBVGOKCFVKLEOZ-NXOAAHMSSA-N 322.449 1.800 0 40 DDAB Cc1cc(CNCCS(C)(=O)=O)ccc1Br 73852589 ODRAFWBQWMPBEH-UHFFFAOYSA-N 306.225 1.892 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)NC[C@@H](C)N1CCOCC1 87035884 MSTVGGMVMHWTRV-CQSZACIVSA-N 323.412 1.697 0 40 DDAB Cc1nc(CN2CCC[C@@H]3[C@H]2CCCCN3CC(N)=O)cs1 1615191730 OTNVAVLQEGATBR-HUUCEWRRSA-N 322.478 1.756 0 40 DDAB O=S(=O)(O)c1cc(S(=O)(=O)O)c2ccccc2c1O 34204725 GMSFXHLBYYCMAT-UHFFFAOYSA-N 304.301 1.039 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 17054865 VWPFUVUHGKNBBZ-XWUBHJNHSA-N 319.313 1.297 0 40 DDAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)C2CC2)C1 19020150 YDIAOUCDSOJSEK-HOCLYGCPSA-N 301.390 1.907 0 40 DDAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1noc2c1CCCC2 211125304 MUURNAPZPUIMHM-NSHDSACASA-N 302.334 1.964 0 40 DDAB COC(=O)C[C@@H]1C(C(=O)O)=C[C@H]2CC(C)(C)C[C@]12C(=O)CO 604377666 MXBHHWNJNMVKQA-YRXQGLPXSA-N 310.346 1.174 0 40 DDAB biogenic,in-vitro CC(C)c1nsc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)n1 1888834713 KVMZBDCRKVKETA-GFCCVEGCSA-N 324.450 1.879 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1(C)C 25148322 ZJCYJBVNFQXUAF-NEPJUHHUSA-N 319.405 1.425 0 40 DDAB CC(C)C[C@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1 39559796 AZUKRZGSIRBRCH-NVXWUHKLSA-N 321.417 1.463 0 40 DDAB biogenic,in-vitro O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@@]21C(=O)N1CCCC1 2056224916 GNVQPSQWUVVDFC-LRDDRELGSA-N 303.337 1.448 0 40 DDAB CCCS(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(C)cc2)C1 9036897 QTTVMCLJJPLYQP-CYBMUJFWSA-N 310.419 1.677 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2cncn2C)CC1 1775966198 XVMOXVNFNUPUGV-UHFFFAOYSA-N 324.406 1.593 0 40 DDAB COCCN1CCC(CNC(=O)COc2ccccc2)CC1 23127916 SDAJYWYUWIAWPQ-UHFFFAOYSA-N 306.406 1.540 0 40 DDAB CCc1cc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)ncn1 2086889202 PAQVXFLVLPMSAZ-UHFFFAOYSA-N 324.450 1.432 0 40 DDAB CCc1cc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)ncn1 2086889193 NTBIOUVUSWXJRT-CYBMUJFWSA-N 324.450 1.432 0 40 DDAB O=C(NC1CCOCC1)N[C@H]1CCN(Cc2ccsc2)C1 585150071 VCGXTFNEKXAOAH-AWEZNQCLSA-N 309.435 1.801 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc3cn[nH]c23)C1 96419344 JEARJJZSTMOHHX-NWDGAFQWSA-N 321.402 1.649 0 40 DDAB C[C@H]1CN(C(=O)COc2ccc(-c3nnco3)cc2)CCO1 10859056 ZVTFPOBGYXHSDC-NSHDSACASA-N 303.318 1.363 0 40 DDAB CCc1cccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40457369 SPHTWZAWQLBHJB-CYBMUJFWSA-N 311.403 1.273 0 40 DDAB NC(=O)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 40485540 QWGWAHKSILWYCQ-NWDGAFQWSA-N 319.390 1.171 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CCC(=O)NC1 40540586 OCLVZIYHJJAFMI-ZDUSSCGKSA-N 312.373 1.954 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 40597451 YPVSQPDWDPLKDV-SECBINFHSA-N 322.352 1.724 0 40 DDAB O=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1Cl)c1ccccc1 1622780 GDBBETJGUUPPOP-KBPBESRZSA-N 315.760 1.814 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1F 11411868 BOMAKTUMTFYJCL-ZETCQYMHSA-N 317.158 1.843 0 40 DDAB CC[C@@](C)(CNC(=O)c1cccnc1OC)N1CCOCC1 31924723 JELXFEQMOJVOAT-INIZCTEOSA-N 307.394 1.321 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCC1)C(C)C 6432282 MZLSXDXRTFGYQK-HOCLYGCPSA-N 321.421 1.693 0 40 DDAB Cc1ccc(CNC(=O)CSc2nc(N)cc(N)n2)cc1F 11770191 XBRFXLFNSGOQTK-UHFFFAOYSA-N 321.381 1.497 0 40 DDAB CN(C)CCCNc1c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c(=O)c1=O 101676158 RYXJDOGPEZIOET-RWMBFGLXSA-N 303.406 1.270 0 40 DDAB CC(=O)N1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 32740463 HQPVFCCCTAVNDJ-LLVKDONJSA-N 308.353 1.720 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 102415449 SDBNPKZUGIKTDX-LLVKDONJSA-N 318.826 1.867 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)C(C)(C)c3ccccc32)C[C@H](C)O1 57355630 ULTYCHXJZQVVEO-STQMWFEESA-N 316.401 1.947 0 40 DDAB O=C1C[C@@H]2[C@@H](CCN2Cc2ccsc2)N1c1cncnc1 107251837 PGESNMQRNYAEBU-ZIAGYGMSSA-N 300.387 1.918 0 40 DDAB CCN1CCC[C@H]1CNCC(=O)NCc1ccccc1OC 22029924 XXWSKWXJAVVBJF-HNNXBMFYSA-N 305.422 1.385 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 53482825 OGPQCBQMFFIMFO-NSHDSACASA-N 317.345 1.890 0 40 DDAB C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 22765768 BVVAVFGBKCELBF-CABZTGNLSA-N 324.352 1.446 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCc2c1cnn2C 24986281 BJLVIOWFQLMMAE-ZYHUDNBSSA-N 316.361 1.325 0 40 DDAB CC(C)[C@H](C(=O)NCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 106515966 HJCFZINQQXRZOA-IIAWOOMASA-N 305.422 1.832 0 40 DDAB O=C([C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N1CCSCC1 106851084 QSLKKWQEVBGOFH-BYNSBNAKSA-N 322.474 1.989 0 40 DDAB NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 25249982 RWVRHICVFHLHBV-UHFFFAOYSA-N 308.334 1.867 0 40 DDAB C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccco1 25459967 MHHGNTARGUGMME-LLVKDONJSA-N 312.329 1.652 0 40 DDAB C[C@H](Cc1ccsc1)N(C)CC(=O)N[C@H]1CCSC1=O 107525579 UBNYFXINPVEUBT-PWSUYJOCSA-N 312.460 1.759 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(N)=O 26744616 UIMKSFHQDJKDKY-UHFFFAOYSA-N 318.398 1.915 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCOCC1 44891213 CEYOATGVUMKGHC-AWEZNQCLSA-N 307.394 1.848 0 40 DDAB CC(C)NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 44858161 VXUUMRQVLNVVFR-UHFFFAOYSA-N 321.396 1.498 0 40 DDAB Cc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cnn1C 10227534 WRAGLNOXGCKDDV-UHFFFAOYSA-N 312.373 1.785 0 40 DDAB CCCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 2179201 FKWAZXPQDYKAPB-UHFFFAOYSA-N 302.371 1.508 0 40 DDAB Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)s1 58209718 SRZBRERBUSAURF-AWEZNQCLSA-N 302.399 1.812 0 40 DDAB CCC(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O 58289800 YRWSPOKVUGPQBW-UHFFFAOYSA-N 324.431 1.953 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2COc3ccccc3C2)no1 45081370 OWRSEINBCZQFFW-LLVKDONJSA-N 315.329 1.289 0 40 DDAB O=C(COc1ccc(Br)cc1)O[C@@H]1CCOC1=O 3244391 DBOGEPVDVYLLCB-SNVBAGLBSA-N 315.119 1.687 0 40 DDAB C[C@H](NC(=O)c1ccc(Br)cc1Cl)C(N)=O 48294418 WJENZCPMRGJXCG-YFKPBYRVSA-N 305.559 1.706 0 40 DDAB O=C(NCCCCN1CCOCC1)[C@@H]1COc2ccccc2C1 48355678 WVNWAEHNBWDDOG-INIZCTEOSA-N 318.417 1.466 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306130413 JFRRFVMSSXMDPN-AWEZNQCLSA-N 320.389 1.252 0 40 DDAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1n[nH]c2ccccc12 69561154 SMAXWBDMISZZRX-UHFFFAOYSA-N 308.301 1.871 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCc2cncnc2C1 69567499 YHVKNUSBHXBBRW-ZDUSSCGKSA-N 308.385 1.813 0 40 DDAB CC(=O)Nc1nc2ccc(C(=O)NCCN(C)C)cc2s1 13691574 HFGLIMWOYMVRNT-UHFFFAOYSA-N 306.391 1.546 0 40 DDAB O=C(COc1ccccc1)NS(=O)(=O)C[C@@H]1CCCCO1 69631312 UKMKJJXERCOROY-ZDUSSCGKSA-N 313.375 1.081 0 40 DDAB COc1ncnc2c1CN(Cc1cnc3c(C)cccn13)CC2 92808029 PZWDUTWKZDHAQK-UHFFFAOYSA-N 309.373 2.000 0 40 DDAB CCCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6120222 CLWOJTCDDSKUOT-VIFPVBQESA-N 314.363 1.004 0 40 DDAB NC(=O)[C@H](CNc1cc(Cl)nc(N)n1)Cc1ccc(F)cc1 69739350 GZDHVLSCPADOTM-VIFPVBQESA-N 323.759 1.607 0 40 DDAB COc1ccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 6154136 ADMZMZGEFDQWCZ-UHFFFAOYSA-N 323.352 1.791 0 40 DDAB Cc1cccn2c(=O)cc(CN3CCc4cncnc4C3)nc12 69705545 JTBMEPIIELUXMS-UHFFFAOYSA-N 307.357 1.351 0 40 DDAB Cc1csc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 5101480 YLQYFUAQVZKVPY-VIFPVBQESA-N 320.461 1.189 0 40 DDAB Cc1csc([C@@H]2CN(c3ncnc4c3cnn4C)CCO2)n1 65465942 BKIQTCKBXZGBHF-NSHDSACASA-N 316.390 1.706 0 40 DDAB COCCNC(=O)CN(C)C(=O)c1cc(SC)ccc1C 65554320 OPTPXVLFYORHHV-UHFFFAOYSA-N 310.419 1.552 0 40 DDAB O=C(CCn1cccn1)N1CCN(c2ccc(Cl)cn2)CC1 65550330 QYUGEFFJJAXHTP-UHFFFAOYSA-N 319.796 1.670 0 40 DDAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)no1 14159718 ZSFSWRXQUWQMQS-HNNXBMFYSA-N 301.346 1.995 0 40 DDAB CC1(C)OC[C@@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1 14515426 CKECEWYVEGPMPE-NNYUYHANSA-N 302.367 1.810 0 40 DDAB O=C([C@H]1CCCCN1C(=O)c1ccccc1F)N1CCOCC1 66485879 SKXRLHSSULAZRX-OAHLLOKOSA-N 320.364 1.679 0 40 DDAB CC1CCN(C[C@H](O)CN2CCN(c3nccs3)CC2)CC1 66482623 QIJJTFUTUJCIMV-HNNXBMFYSA-N 324.494 1.358 0 40 DDAB CCCn1c(SCC(=O)NCc2ccc(F)cc2)n[nH]c1=O 5925079 MJAFKSGOJPHZHA-UHFFFAOYSA-N 324.381 1.529 0 40 DDAB NC(=O)C1(NC(=O)[C@H]2SCCc3sccc32)CCCC1 80286651 ZWIWMARBINBESB-NSHDSACASA-N 310.444 1.993 0 40 DDAB CS(=O)(=O)NCCCSc1ncnc2ccsc12 67653437 YQAWQWIYVDSNAP-UHFFFAOYSA-N 303.434 1.723 0 40 DDAB COc1ccc(NS(=O)(=O)N2CCc3ccccc3C2)cn1 68237541 SSCSJFPHAFJREI-UHFFFAOYSA-N 319.386 1.805 0 40 DDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc(F)c1 16098049 RVXUYWKJXCZLOY-UHFFFAOYSA-N 308.334 1.750 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccn1 7810718 PTOSOQLASDVIEQ-UHFFFAOYSA-N 308.341 1.980 0 40 DDAB CCOC(=O)CNc1ccc(C(=O)OCC(=O)OCC)cc1 8048305 KOBFZFFPFGLJKA-UHFFFAOYSA-N 309.318 1.382 0 40 DDAB CC(C)(C)c1ccc2c(c1)CN(C(=O)c1nc(=O)[nH][nH]1)CC2 96004837 GOBCDRZVBMFNLU-UHFFFAOYSA-N 300.362 1.594 0 40 DDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NC(C)C)c1 9318873 INSJGPPUAODIAD-UHFFFAOYSA-N 305.407 1.896 0 40 DDAB CN1[C@@H](Cc2cccnc2)[C@H](O)c2ccccc2S1(=O)=O 9423501 SCQFIVOFMZXZDC-DZGCQCFKSA-N 304.371 1.360 0 40 DDAB CC1CCN(CC2CCN(C(=O)c3nccnc3N)CC2)CC1 71819960 BXBKEAZCEXPIBK-UHFFFAOYSA-N 317.437 1.643 0 40 DDAB COc1ccc(C)cc1[C@H](O)CN[C@H]1CCc2ncnn2C1 71871751 KZAVMOHIRZGVPG-GXTWGEPZSA-N 302.378 1.233 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 71871476 BSXDZHYQYFEFMA-ZDUSSCGKSA-N 308.397 1.628 0 40 DDAB CC(C)(C)N1CCN(C(=O)c2sccc2-n2cnnn2)CC1 71818509 ZBDGPIOTMVXFDH-UHFFFAOYSA-N 320.422 1.280 0 40 DDAB C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC[C@H](C(N)=O)C1 9683168 TVGULLINNCHXAV-OLZOCXBDSA-N 318.421 1.277 0 40 DDAB Cc1ncsc1CCN1CCN(C(=O)N2CCOCC2)CC1 71907450 SIZDAPCFMXKKLV-UHFFFAOYSA-N 324.450 1.064 0 40 DDAB Cc1ccc(CN(C(=O)CN2CCC[C@@H](CO)C2)C2CC2)o1 84195409 GDNJRWHDCUVAJG-CQSZACIVSA-N 306.406 1.783 0 40 DDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccnn2C)n1 84114769 UYGNJCIRKQOQPP-UHFFFAOYSA-N 311.349 1.573 0 40 DDAB C[C@@H](Cn1cccn1)NC[C@@H](O)c1ccc2c(c1)OCCO2 72273096 BITYSZRWZHESTJ-GXTWGEPZSA-N 303.362 1.366 0 40 DDAB Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1c[nH]ccc1=O 72285795 UZMLDJLEJKATTJ-UHFFFAOYSA-N 315.358 1.793 0 40 DDAB Cn1cnc2cc(C(=O)NCc3ccnc(NC4CC4)c3)cnc21 97162571 FFUPNQYENXESPQ-UHFFFAOYSA-N 322.372 1.868 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CS(N)(=O)=O 77000096 KGIVFLMDUHFEMQ-SNPRPXQTSA-N 322.430 1.378 0 40 DDAB Cn1ncc2cnn(C[C@H](O)c3cccc(Cl)c3)c2c1=O 95438886 ZVOYFEKHUBIMQA-LBPRGKRZSA-N 304.737 1.517 0 40 DDAB C[C@H]1CN(C(=O)CN2C[C@H](O)C[C@@H]2C2CCCCC2)C[C@@H](C)O1 78726447 RCHJQXHOFKRECN-YALNPMBYSA-N 324.465 1.638 0 40 DDAB Cc1nc(C)c(CN2CCO[C@@H](CNc3cccnn3)C2)s1 78894172 SAJZTUOSNBOWHX-ZDUSSCGKSA-N 319.434 1.863 0 40 DDAB Cn1cnn(CC(=O)N(Cc2ccccc2)CC(C)(C)C)c1=O 95995119 PZJXLAOEVFJKHJ-UHFFFAOYSA-N 316.405 1.657 0 40 DDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)N=c1[nH]cc[nH]1 79483831 HAWKFLFQFFEUDV-UHFFFAOYSA-N 320.356 1.826 0 40 DDAB CN1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 67283452 MJACSLGYKDXNTI-UHFFFAOYSA-N 305.769 1.308 0 40 DDAB CCOC[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218001545 AVVOSUKEBKSAHU-QWHCGFSZSA-N 303.811 1.868 0 40 DDAB COc1ccccc1CCNC(=O)[C@H]1CCCN(C(C)=O)C1 32748050 OGZVUKDHAXJRKV-HNNXBMFYSA-N 304.390 1.612 0 40 DDAB CCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 1014562634 XAIFRMXYMCVURD-FRRDWIJNSA-N 304.394 1.485 0 40 DDAB COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC 524735339 UHEDGLGZIKMCKD-UHFFFAOYSA-N 318.329 1.331 0 40 DDAB CCn1ncc(CNC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)n1 528085778 ZITJTDIFXJPMCP-JSGCOSHPSA-N 306.414 1.066 0 40 DDAB CCOC(=O)C1=C(C)NC(N)=N[C@H]1c1cccc([N+](=O)[O-])c1 33609891 LYRGHJGMSVYOSO-LBPRGKRZSA-N 304.306 1.391 0 40 DDAB Cc1nc(NC(=O)c2ccc(N3CCOCC3)nn2)sc1C 75172738 YHOJSKODJWPBSG-UHFFFAOYSA-N 319.390 1.639 0 40 DDAB CSCC[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1 157973081 WWDZUSHUZOAPTL-AWEZNQCLSA-N 300.468 1.732 0 40 DDAB COc1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1 70636713 QJBZRPXYJDPSET-HNNXBMFYSA-N 313.419 1.915 0 40 DDAB CC[C@@H](C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1cnnn1 1565520466 SJNLPZOVOVJRNC-QMTHXVAHSA-N 317.349 1.305 0 40 DDAB COC(=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 33092719 IBADBZGCOSLHSZ-CQSZACIVSA-N 318.354 1.876 0 40 DDAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccncc1 71979908 NUQLYBZXDOONDM-ULKWEWGCSA-N 304.346 1.914 0 40 DDAB CCCCNC(=O)Cn1cc(COc2ccccc2OC)nn1 227160935 JTJVCXKAYQUOON-UHFFFAOYSA-N 318.377 1.782 0 40 DDAB COCCn1nc(C(=O)Nc2cccc3cccnc23)ccc1=O 40467842 BIDDWGVJIFNSGB-UHFFFAOYSA-N 324.340 1.690 0 40 DDAB CCN1CC2(CCN(c3ncccn3)CC2)[C@H](COC)C1=O 96205957 PLBAWAPCIMWOOU-CYBMUJFWSA-N 304.394 1.188 0 40 DDAB Cc1cc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(C)o1 96413105 BJEBFCUTCMXUSI-JQWIXIFHSA-N 314.407 1.613 0 40 DDAB CC(C)N(C)Cc1n[nH]c2c1CCN(S(=O)(=O)C1CC1)C2 96255848 NXTDACQLZBGWAU-UHFFFAOYSA-N 312.439 1.100 0 40 DDAB O=C(NCc1cnc2n1CCN(Cc1ccco1)C2)C1CC1 96201164 QSZJNJSTGFLDSV-UHFFFAOYSA-N 300.362 1.518 0 40 DDAB Cc1nscc1C(=O)NCCC(=O)NCc1ccccn1 97097855 QYTVMMYZSNGNKC-UHFFFAOYSA-N 304.375 1.283 0 40 DDAB COc1cc2c(=O)cc[nH]c2cc1OCCCN1CCOCC1 95093024 BORNIZQIXPVUJF-UHFFFAOYSA-N 318.373 1.638 0 40 DDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1cccnc1 96041988 NMOIGPQTOGYOIJ-MELADBBJSA-N 312.391 1.039 0 40 DDAB CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)Cc1ccccc1 96186198 GJWNKTZJEHMMTQ-ZIAGYGMSSA-N 308.403 1.212 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(c4nnc(C)s4)C[C@H]3O2)n1 96219710 QYBVCOZBEUIHOX-HBNTYKKESA-N 307.379 1.374 0 40 DDAB CCCS(=O)(=O)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046145 ZGMQTOIJIXWVKH-IACUBPJLSA-N 311.407 1.368 0 40 DDAB Cn1ccnc1CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 96422092 CONYZSKDDHKLAC-UHFFFAOYSA-N 312.251 1.092 0 40 DDAB O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184579 OWKWYCLUYXHHHK-NEPJUHHUSA-N 301.375 1.427 0 40 DDAB CN(C(=O)Cc1ccccc1F)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257296614 RDOIVUOYANLXQO-JFIYKMOQSA-N 320.408 1.814 0 40 DDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCCC(C)C)n1 604382081 CLTDGQCYYKDMML-QBPKDAKJSA-N 307.438 1.321 0 40 DDAB biogenic,in-vitro Cc1ccnc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 257216783 CWANYUNDQPEBEQ-LBPRGKRZSA-N 321.406 1.005 0 40 DDAB Cc1ocnc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257221247 DOCMFAUSBJTOMJ-MRXNPFEDSA-N 316.361 1.139 0 40 DDAB CCS(=O)(=O)N1CCCC[C@H]1c1cc(O)n2nc(C)cc2n1 257252436 JUTSBQYUKAUKMR-LBPRGKRZSA-N 324.406 1.620 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257343169 ZRTFSPPXCADYIH-ZDUSSCGKSA-N 304.350 1.466 0 40 DDAB Cc1cc2ncc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c(C)n2n1 262692129 FESVHSCBAPQOMU-WDEREUQCSA-N 302.334 1.329 0 40 DDAB Cc1sc(/C=C/c2cn(C[C@H]3CCOC3)nn2)nc1C(=O)O 630950602 JLMHQTSTVSZGPE-VMZHVLLKSA-N 320.374 1.948 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cccnc1OC)[C@@H]2C 585097186 IJKXRXMAOFCYPX-GFCCVEGCSA-N 317.393 1.795 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(Br)o2)C1 62912566 YCQFZOKJBWNPNL-LLVKDONJSA-N 302.124 1.979 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(OCC(N)=O)cc2)c1 69511090 DNHMGGDEMKICEY-KBPBESRZSA-N 316.405 1.795 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)c1nccn1C[C@H]2C(=O)O 91302924 RCBQNOLINJGHOT-NSHDSACASA-N 321.377 1.866 0 40 DDAB in-vitro Cc1cnc(N(C)C[C@@H]2CCOC2)nc1N(C)C[C@H]1CCOC1 85689461 NXABCJIKYMXGGR-CABCVRRESA-N 320.437 1.730 0 40 DDAB CC(C)CSC(SCC(C)C)[C@H](O)[C@H](O)[C@H](O)CO 5066653 VQNFWPLZQHASHJ-IJLUTSLNSA-N 312.497 1.166 0 40 DDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)NC[C@H]1CCCO1 12444006 CKIYCKQYVROTFX-CYBMUJFWSA-N 319.336 1.929 0 40 DDAB NC(=O)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 14201215 YBKNWKLWCKQSLE-UHFFFAOYSA-N 308.403 1.954 0 40 DDAB CCN1CN=C(Nc2nc(C)c3cccc(OC)c3n2)NC1 19332641 UTHUQPYMEGTBDV-UHFFFAOYSA-N 300.366 1.555 0 40 DDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(N)ccc1Cl 19984498 YGGSRRLGBFEKRX-LLVKDONJSA-N 317.842 1.685 0 40 DDAB O=C(OCC(=O)N1CCCC1=O)c1ccc2ncsc2c1 2726232 QHCAEZRCFBNZRR-UHFFFAOYSA-N 304.327 1.602 0 40 DDAB O=C(Cn1cccnc1=O)N[C@H]1CCSc2ccccc21 32339600 QTAIRDJEFMKJCT-LBPRGKRZSA-N 301.371 1.597 0 40 DDAB O=C(NC1CC2(CCN(C(=O)C3CC(F)(F)C3)C2)C1)C1CC1 1565544921 VBBQBIBYBBGKRK-UHFFFAOYSA-N 312.360 1.939 0 40 DDAB COc1cc(CCC(=O)NCc2ccc3c(c2)OCO3)on1 4786505 HBNBUMMMEOXSFZ-UHFFFAOYSA-N 304.302 1.661 0 40 DDAB CCn1nnc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc21 13531665 LHCNUDGQNGPNGE-UHFFFAOYSA-N 317.736 1.544 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)c1ccccn1)CC2 2055732395 HACQRACZTRIARV-LLVKDONJSA-N 300.362 1.419 0 40 DDAB Cc1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)no1 41910961 ZGQZJQPAVNAOFB-UHFFFAOYSA-N 314.345 1.869 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](N(C)C)C2)n(-c2cccnc2)n1 2332241673 UQSQVBWVSIIRMF-NWANDNLSSA-N 301.394 1.529 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 17031754 XELHPPDUMQDJFV-ZDUSSCGKSA-N 308.403 1.520 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCCO3)n1 40473914 VCUUBFIQJQAQSF-UHFFFAOYSA-N 319.342 1.194 0 40 DDAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1COCCO1 40555966 ZKDXCZHXRWLONQ-ZDUSSCGKSA-N 302.330 1.795 0 40 DDAB COc1ccccc1CNC(=O)Nc1ccc(-n2cnnn2)cc1 40526627 QIJKYXBBYYNMOX-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB Cc1ccc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)s1 40505304 AITILVKXWRRSNO-ZIAGYGMSSA-N 324.446 1.524 0 40 DDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 3271513 PQUSDEQSRWCRQR-UHFFFAOYSA-N 311.293 1.845 0 40 DDAB CO[C@@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@@H]3C1)OCO5 3978341 YGPRSGKVLATIHT-KLWIRTJPSA-N 301.342 1.187 0 40 DDAB in-vitro CC(C)n1nnnc1SCC(=O)NCCc1ccccc1 4883312 SIQIECPQHWZBBT-UHFFFAOYSA-N 305.407 1.705 0 40 DDAB COCCCNC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40513690 UFSNSGLIBPXAIT-LLVKDONJSA-N 312.801 1.499 0 40 DDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 11615511 HLJVIDFGZGRKFT-UHFFFAOYSA-N 318.358 1.073 0 40 DDAB COCCN(CCOC)C(=S)NCc1ccc(OC)cc1 7570427 VXABWWZIIBVKGF-UHFFFAOYSA-N 312.435 1.665 0 40 DDAB O=C(NCCc1ccc(F)cc1)c1cccnc1-n1cncn1 29601076 ZAYWGRSFTPXBFF-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB Nc1nc(O)cc(NC(=S)Nc2ccc(C(=O)O)cc2)n1 8652232 DXMMOTVJDGFANT-UHFFFAOYSA-N 305.319 1.272 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@@H]13)O2 100634816 BIRNAPJPYSZWAB-SZOQZIPDSA-N 315.325 1.155 0 40 DDAB CN(C(=O)c1cc2c(s1)CCOC2)[C@@H]1CCS(=O)(=O)C1 102978428 PDYXGRPVXMIQOK-SNVBAGLBSA-N 315.416 1.080 0 40 DDAB C[C@H](NC(=O)COC(=O)c1ccc[nH]c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103411611 IKOIDCGXVKUANL-MNXVOIDGSA-N 318.373 1.473 0 40 DDAB Cc1cc(N2CCN(Cc3c(C)noc3C)CC2)nc(N)n1 42098739 KNDGZBKLESQTIP-UHFFFAOYSA-N 302.382 1.294 0 40 DDAB O=C(NCCN1CCCCC1)C1CCN(C(=O)C2CC2)CC1 46854237 BPHUYOMKVTZJEO-UHFFFAOYSA-N 307.438 1.237 0 40 DDAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 104166954 YNGMLSKSWGCPPB-LPWJVIDDSA-N 309.749 1.834 0 40 DDAB COc1ccc2c(C)c(CC(=O)Nc3nc[nH]n3)c(=O)oc2c1 9575332 GAVGELKTVHDDHA-UHFFFAOYSA-N 314.301 1.409 0 40 DDAB COc1cc(CC(=O)NCC[C@@H]2CCCO2)cc(OC)c1OC 23189545 WGAHVZWOCASQIX-ZDUSSCGKSA-N 323.389 1.940 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1cc(C)ccc1OC 23403069 RJPFPNFHWGUZOK-UHFFFAOYSA-N 300.424 1.722 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(C)n1C 23575737 AOTLWCMIIFTUDW-UHFFFAOYSA-N 314.345 1.412 0 40 DDAB CC(=O)N1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 23750383 XDYFJHZEJRVBMW-NSHDSACASA-N 300.362 1.148 0 40 DDAB O=c1[nH]c2ccc(-c3csc(N4CCOCC4)n3)cc2[nH]1 24033868 QXFOMEOOYFCAHS-UHFFFAOYSA-N 302.359 1.816 0 40 DDAB COc1ccc(C(=O)NCCCN2CCN(C)CC2)c(OC)c1 61523660 UAZYPDPZPWFIKP-UHFFFAOYSA-N 321.421 1.071 0 40 DDAB CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1 24518741 IMLYFCGZYZVGQF-NSHDSACASA-N 318.377 1.633 0 40 DDAB C[C@H](Sc1ccccn1)C(=O)Nc1ncnc2nc[nH]c12 12542727 NZMZMBXJTLDHHL-QMMMGPOBSA-N 300.347 1.867 0 40 DDAB COc1ccnc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1 106933685 ULQXBYWOWFFRFE-CQSZACIVSA-N 305.422 1.775 0 40 DDAB c1cnc(O[C@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 107228155 KCERBHXTAMKJKU-CZUORRHYSA-N 313.361 1.474 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N(C)C1CCCCC1 108081612 QDXVIBVFWRRIMO-KGLIPLIRSA-N 312.410 1.040 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)N(Cc1ccccc1)C1CC1 44230109 FIWDEAMDOROLPS-UHFFFAOYSA-N 322.368 1.687 0 40 DDAB CN1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)C1=O 172405053 JZKINVQTEPTNNZ-UONOGXRCSA-N 321.352 1.139 0 40 DDAB CCOC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OCCCO2 57985614 QBUVHIYUJKKLQE-UHFFFAOYSA-N 322.361 1.281 0 40 DDAB COc1ccc(Cl)cc1CN1C(=O)NC2(CCOCC2)C1=O 57936980 BVOKZCDSVTVCSZ-UHFFFAOYSA-N 324.764 1.950 0 40 DDAB Cc1cc2ccccc2n1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 44720759 MSENLHIULFSRCY-ZDUSSCGKSA-N 320.414 1.501 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 44722042 HDCQPOPTFWGHFZ-GVCGAHPZSA-N 323.414 1.967 0 40 DDAB CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc[nH]3)o2)CCO1 58158427 SZZBDRZTYPCSEB-SNVBAGLBSA-N 322.390 1.794 0 40 DDAB Cn1c(CSc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 58265726 ZGHODBNTIFIVJV-UHFFFAOYSA-N 302.359 1.253 0 40 DDAB CN(CC(=O)NCc1nnc2n1CCCC2)Cc1ccccc1 58265915 JQMUNVWHNSTDOL-UHFFFAOYSA-N 313.405 1.363 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C(F)(F)F 58231247 XHVPWFBDCDJEEX-ZETCQYMHSA-N 310.297 1.166 0 40 DDAB COCCN(CCn1nc2ccccn2c1=O)Cc1ccco1 44914208 XMMRVSAIWJZCEE-UHFFFAOYSA-N 316.361 1.238 0 40 DDAB CN(C)[C@H](CNC(=O)N[C@H]1CCN2CCCC[C@H]12)c1ccco1 44966384 RGSKOWXIPUQQIS-RRFJBIMHSA-N 320.437 1.808 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnnn1C 3216150 FHGKTCFEQFRUPE-NSHDSACASA-N 305.407 1.440 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccnc1 58428869 QESMRODKFMKECY-ZDUSSCGKSA-N 315.421 1.811 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2cccc3cnccc23)C1 62132715 FLUHWSHBOVFYNF-LLVKDONJSA-N 306.343 1.330 0 40 DDAB C[C@@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@H](C(=O)O)CC1=O 48265692 BQYUCPIHNCPPQJ-JOYOIKCWSA-N 302.330 1.565 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCC(c3ccccc3)=N1)C2 69529228 SZVOITINXVEGMU-UHFFFAOYSA-N 324.388 1.039 0 40 DDAB COCCOCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 48333817 JMBYJPMRILSZEY-NSHDSACASA-N 306.362 1.412 0 40 DDAB CC(C)C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12882286 JNJNACGVGGXUMA-MDWZMJQESA-N 322.430 1.787 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 3487476 KJGWIANKIRDHHB-CQSZACIVSA-N 317.389 1.578 0 40 DDAB CN(C)c1ccncc1NC(=O)c1ccccc1-n1cnnn1 69521357 WYOPVMHQWVMVMO-UHFFFAOYSA-N 309.333 1.376 0 40 DDAB O=C(COCCOc1ccccc1)NC[C@@H]1CCN(C2CC2)C1 69565738 UGWOMRHXPDOYLM-HNNXBMFYSA-N 318.417 1.683 0 40 DDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 13072636 SWFUXJHXYDZDJU-UHFFFAOYSA-N 311.315 1.465 0 40 DDAB CCN(CC)C(=O)[C@H]1C(=O)N[C@]2(C)C[C@H]1c1ccccc1O2 4199358 IQBBFZAIYZOIHP-QEORTHHSSA-N 302.374 1.883 0 40 DDAB CCOc1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1 13637839 IQBOGINVIXTVGC-UHFFFAOYSA-N 307.375 1.922 0 40 DDAB CCc1noc(CN(C)C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)n1 69768925 DYSRTBBAGQPDBM-STQMWFEESA-N 323.441 1.751 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N[C@H]3CCCCNC3=O)cc12 69815767 REEGQGBEFZYSRY-LBPRGKRZSA-N 316.365 1.067 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)cn1 69844269 PPESSOGROUVBGD-BBRMVZONSA-N 313.357 1.924 0 40 DDAB COc1cc(C)nc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1 69871080 MEQKKVYUXNDNGF-LLVKDONJSA-N 318.381 1.368 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)C(=O)O 218555435 LNQLJRDDAPTSHC-DMDPSCGWSA-N 317.794 1.270 0 40 DDAB O=C(NC[C@H]1Cc2ccccc2O1)N(CCO)CC(F)(F)F 65402515 XAMWTERCEJJDQN-LLVKDONJSA-N 318.295 1.556 0 40 DDAB CC(C)OCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69952175 HMKSZBQJGBYQMW-KRWDZBQOSA-N 320.433 1.679 0 40 DDAB CN(C)C(=O)COc1ccccc1CNCCn1cccn1 69922440 RJFPVVVSGPKJDD-UHFFFAOYSA-N 302.378 1.140 0 40 DDAB COC(=O)C1=NO[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 4744991 WFAHDBKZHCPQIH-AWEZNQCLSA-N 322.704 1.291 0 40 DDAB CN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 15027164 KJRYMOUICQJRQH-KRWDZBQOSA-N 323.396 1.562 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 67997493 CQOJLJGRVPVJGL-INIZCTEOSA-N 317.433 1.866 0 40 DDAB Cc1nnc(SCn2nnc3ccccc3c2=O)n1C1CC1 7617346 ULOYBMRSUWRGLM-UHFFFAOYSA-N 314.374 1.776 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)N2CCCn3ncnc32)cc1 91050905 KECUXDZZLDDRNO-UHFFFAOYSA-N 322.390 1.664 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 70013396 BDDGJIRVPORJKW-GXTWGEPZSA-N 307.438 1.376 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)n1 70041017 MDHYNKXNTIVQGB-OAHLLOKOSA-N 314.389 1.503 0 40 DDAB COc1c(Cl)cc(C(=O)NCC(=O)N(C)C)cc1Cl 8359504 KVWRXULOGUBKQC-UHFFFAOYSA-N 305.161 1.820 0 40 DDAB CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 8395314 BFDYSPLEEIZCMW-NSHDSACASA-N 302.783 1.991 0 40 DDAB CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 306135753 OZUIHJUWPTWSLK-GHMZBOCLSA-N 315.352 1.403 0 40 DDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 9418329 UXCNRTJIRCADFE-QWHCGFSZSA-N 324.427 1.350 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)N2CCSCC2)cc1 71897798 LHCVGJUPAXFLSY-UHFFFAOYSA-N 307.419 1.483 0 40 DDAB O=C(O)CNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 9421430 RDFHUKOWTRHCEI-UHFFFAOYSA-N 302.334 1.537 0 40 DDAB O=C(NCCNC(=O)c1ccco1)c1ccc2ccccc2n1 9484575 FVKNUMPDIQYRQT-UHFFFAOYSA-N 309.325 1.988 0 40 DDAB CN(CCN(C)c1ccccc1)C(=O)C(=O)Nc1cccnc1 71886787 QDHKGUHMRPKSLY-UHFFFAOYSA-N 312.373 1.615 0 40 DDAB C[C@@H](C(=O)N1CCN(C[C@@H](C)O)CC1)n1cnc2ccccc21 71871213 YVYVPOARJFRGCE-KGLIPLIRSA-N 316.405 1.122 0 40 DDAB CC[C@H](Sc1ccccc1)C(=O)NCCN1CCN(C)CC1 71895974 VHMBQPOSOWIZSI-INIZCTEOSA-N 321.490 1.921 0 40 DDAB C[S@](=O)CCCNC(=O)Cc1cccc(Br)c1 71896501 FJDWMFOBKUXGMI-QGZVFWFLSA-N 318.236 1.876 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)N1CCC(CO)CC1 89857599 VGAKOCBHFCOYOC-UHFFFAOYSA-N 315.377 1.181 0 40 DDAB CCCN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)OC 9870084 BDWFEWXARALASH-LBPRGKRZSA-N 306.387 1.962 0 40 DDAB CC(=O)N1CC[C@@H](NCc2cccc3c2OCCO3)[C@@H](C)C1 89937610 ULAZCVGHCVPJLA-SWLSCSKDSA-N 304.390 1.804 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C(N)=O)cs3)C2)no1 72232274 BWJSJPPRQFRJCG-VIFPVBQESA-N 320.374 1.558 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)cc(F)c1 72294329 UBQOINYADUNFHW-NOZJJQNGSA-N 312.316 1.571 0 40 DDAB CCCc1nc(CNC[C@H]2CCCN2c2cccnn2)no1 72276780 MMGHWIGTQVPLMA-GFCCVEGCSA-N 302.382 1.571 0 40 DDAB CC(C)C(=O)NCCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 97049563 QQUUGCCKQOAZJH-AWEZNQCLSA-N 321.425 1.809 0 40 DDAB CC(C)(C)c1nc(N2CCC[C@H]2C(=O)N2CCSCC2)no1 97059129 HLXOQNFCGVNFEB-NSHDSACASA-N 324.450 1.911 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc2c(c1)OCCCO2 97197918 FGKMJQYJQCHRJP-CYBMUJFWSA-N 313.357 1.789 0 40 DDAB Cn1cc(N2CCN(C(=O)Nc3ccncc3F)CC2)cn1 97135865 DSKCGTHPRAWZID-UHFFFAOYSA-N 304.329 1.308 0 40 DDAB COCCN(c1ccncc1)S(=O)(=O)[C@@H](C)C(F)(F)F 97115536 JWPHIFIXMYMOME-VIFPVBQESA-N 312.313 1.815 0 40 DDAB Cc1csc([C@H](NC(=O)N[C@@H]2CCN(C)C2=O)C2CC2)n1 76087906 DZPLYAOLMMGWOH-GHMZBOCLSA-N 308.407 1.433 0 40 DDAB C[C@H](COc1ccccc1F)NC(=O)NCC[S@](C)=O 95398065 IXDBXUVCHSZIKL-CFMSYZGJSA-N 302.371 1.271 0 40 DDAB CCN1C[C@@H](C(=O)N[C@@H](c2nccc(C)n2)C2CC2)CC1=O 95450836 ZEHKLSJCTVEQIK-GXTWGEPZSA-N 302.378 1.221 0 40 DDAB C[C@@H]1c2cccn2CCN1C(=O)C(=O)NCc1ccc(F)cc1 84718180 CBECWULPLRAWPD-GFCCVEGCSA-N 315.348 1.847 0 40 DDAB O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCN(CCO)CC1 78783479 PKHHNGIYQAEDMV-GJZGRUSLSA-N 308.809 1.580 0 40 DDAB C[C@H](N[C@H](CO)c1cnn(C)c1)C(=O)Nc1cccc(Cl)c1 95941439 VDWHSOCHRBLTEP-IINYFYTJSA-N 322.796 1.724 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)O)C2 95970482 URGQRUQGXJMFJA-PWSUYJOCSA-N 307.346 1.425 0 40 DDAB Cc1ccc(S(=O)(=O)CCCNC(=O)C2CCCC2)nc1 95977397 CYXPXRBQHFJGED-UHFFFAOYSA-N 310.419 1.860 0 40 DDAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccccn2)C1 89274681 VKUIFYWCKDQJSX-UPBLURMWSA-N 309.435 1.961 0 40 DDAB CNC(=O)c1cccnc1N[C@H]1CC(=O)N(Cc2ccccc2)C1 89392097 VQVLUGVZAZNUIJ-AWEZNQCLSA-N 324.384 1.654 0 40 DDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207182 MQKPHDPPBQKZQD-NSHDSACASA-N 314.407 1.230 0 40 DDAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccncc1 68561833 LNZVJDXEEOCWBF-UONOGXRCSA-N 300.387 1.441 0 40 DDAB CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1 120987031 ORQJEESVCHILRL-AWEZNQCLSA-N 304.390 1.906 0 40 DDAB COc1ccc([C@H](O)CN2CCc3c(nc(C)n3C)C2)cc1 33726196 IFSBHVXPLMGYKF-QGZVFWFLSA-N 301.390 1.829 0 40 DDAB O=C(CCN1CCCC[C@@H]1CO)N1CCc2ccccc2C1 188963388 BEBPEBCRJDZQFN-QGZVFWFLSA-N 302.418 1.808 0 40 DDAB O=C1NCCC[C@@H]2c3cc(O)ccc3O[C@]12N1CCCCC1 55246650 OWZTXJOOQNXRBC-PBHICJAKSA-N 302.374 1.960 0 40 DDAB biogenic COC[C@@H](O)CN1CCc2c(Br)ccc(F)c2C1 186196824 SSALNBQVBPYSCY-VIFPVBQESA-N 318.186 1.954 0 40 DDAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 32717069 XTNNFQRWUNFASL-CYBMUJFWSA-N 302.374 1.665 0 40 DDAB COc1ccc(CC(C)(C)NC(=O)[C@@H]2CCC(=O)N2C)cc1 189063490 SRWQCKQRMPRAJT-AWEZNQCLSA-N 304.390 1.753 0 40 DDAB CN(C)CCN1CCC(CNC(=O)CSC(C)(C)C)CC1 79312962 YFHUYZAYIFVLNS-UHFFFAOYSA-N 315.527 1.908 0 40 DDAB COc1cc(NC(=O)[C@H]2CC(O)=Nc3nncn32)cc(OC)c1 44900849 YPXJZAAZWHJMGP-LLVKDONJSA-N 317.305 1.467 0 40 DDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 45669893 ISTMJPVFZCOTLY-GFCCVEGCSA-N 324.352 1.894 0 40 DDAB COc1ccc(CN2CCN(S(=O)(=O)C3CC3)CC2)cc1 608018827 GSPHSGOJVXFBPM-UHFFFAOYSA-N 310.419 1.305 0 40 DDAB O=C(Cc1ccncc1)N1CCC[C@H](c2nncn2C2CC2)C1 329391955 TUQCETKRCVFOSN-AWEZNQCLSA-N 311.389 1.957 0 40 DDAB C[C@@]1(C(=O)NC[C@@H]2CCCO2)Oc2ccc(Cl)cc2NC1=O 41550110 PBGPEDGMCZJCAJ-BONVTDFDSA-N 324.764 1.725 0 40 DDAB C[C@H](NC(=O)c1ccncc1F)C1(N2CCOCC2)CCCC1 96449733 RCGWSNFKFMCVLI-ZDUSSCGKSA-N 321.396 1.984 0 40 DDAB CC1=CCC[C@@H](C)[C@@H]1CNCC1(O)CCS(=O)(=O)CC1 97098971 VKLGCVQCRQLLQC-ZIAGYGMSSA-N 301.452 1.508 0 40 DDAB CC(C)NC(=O)CNC(=O)N1CC[C@H](Cc2ccccc2)C1 96437524 QMKLHUMEMBMAPF-OAHLLOKOSA-N 303.406 1.785 0 40 DDAB O=C(NCc1ccc(Cl)cn1)NC[C@H]1CC(=O)N(C2CC2)C1 96500364 UOPWGYPAXRPQJG-SNVBAGLBSA-N 322.796 1.545 0 40 DDAB Cc1nccn1CCCN(C)Cc1cc(=O)n2ccsc2n1 96489096 LRNJSDGAWFFKCO-UHFFFAOYSA-N 317.418 1.783 0 40 DDAB CC(=O)N(C)Cc1ncn2c1CN(C(=O)c1ccc[nH]1)CCC2 96084631 IDQXXHZSQGAGOL-UHFFFAOYSA-N 315.377 1.236 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)N1CCN2CCCC[C@H]2C1 96404174 VNKHOEWNEIHSMH-HNNXBMFYSA-N 305.426 1.530 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1occc1C(C)C 332660710 FYEKPCVPHTZGJN-NSHDSACASA-N 314.407 1.557 0 40 DDAB O=C([C@H]1CCCO1)N1CCC[C@]2(COCCN(CC3CC3)C2)C1 96228798 YKISACPCJDJMTE-SJLPKXTDSA-N 322.449 1.516 0 40 DDAB Cc1nc2n(c(=O)c1C)CN(CCO)CN2c1ccc(F)cc1 96693162 ZASHOKZLVMOYNS-UHFFFAOYSA-N 318.352 1.360 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N(Cc1ccccc1)CC1CCC1 96410540 DNYQQDTZHNTSNS-ZDUSSCGKSA-N 324.446 1.753 0 40 DDAB O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1cncc(F)c1 96483495 INUCRSJYZGELAB-AWEZNQCLSA-N 316.398 1.830 0 40 DDAB CN(C)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2 96197166 BNEYLTABGNYRMH-UHFFFAOYSA-N 304.419 1.591 0 40 DDAB O=S1(=O)CCN(Cc2nc(C(F)F)no2)[C@H](C2CC2)C1 333741841 MKSCBKBKXATQKS-QMMMGPOBSA-N 307.322 1.016 0 40 DDAB CCC[C@@]12CCCN1C(=O)N([C@@H]1CC(=O)N(C3CC3)C1)C2=O 349072962 WRHBKUKIJQXVDN-WBMJQRKESA-N 305.378 1.347 0 40 DDAB O=C(O)c1ccc(=O)n([C@@H](Cc2ccc(O)cc2)C(=O)O)c1 257219330 DGKQSYVMKMJJFL-LBPRGKRZSA-N 303.270 1.121 0 40 DDAB C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C[C@H]1C 252497666 QMNUKZACAZEFBU-LJIZCISZSA-N 309.454 1.926 0 40 DDAB Cc1ncoc1C(=O)N1CCC[C@H]1c1cncc(CN(C)C)n1 257231765 GICNWTNAQBWJQG-AWEZNQCLSA-N 315.377 1.812 0 40 DDAB CCCc1cc(C(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)no1 257322903 WHXRUJSRDSKYDJ-KBPBESRZSA-N 321.377 1.089 0 40 DDAB Cc1nccc(N2CCO[C@@H](c3nccnc3N(C)C)C2)n1 257321797 WDHBCWKTHDACCI-GFCCVEGCSA-N 300.366 1.219 0 40 DDAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2nc(C)c[nH]2)C1 257293070 QNZSFULMOOBMMK-LBPRGKRZSA-N 304.350 1.791 0 40 DDAB COCC(=O)N1CCC[C@](CCCc2cccnc2)(C(N)=O)C1 257222148 DSCYOGYYJPSCDQ-KRWDZBQOSA-N 319.405 1.145 0 40 DDAB Cn1ccc(C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)n1 575410867 OBDIPSAQAUDAMM-JTQLQIEISA-N 311.338 1.361 0 40 DDAB CC(C)CC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 575405816 JORYDGQGZDTIFB-OAHLLOKOSA-N 321.421 1.350 0 40 DDAB C[C@@H](O)C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112559 RHVHOMMBUAXFCE-IUODEOHRSA-N 315.373 1.042 0 40 DDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3ncc[nH]3)C2)c1 585275282 BVUHODRINXCOCH-QGZVFWFLSA-N 317.389 1.360 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN(c3cccnc3)C(=O)C2)s1 585150419 UVVNLEVDTMLFBL-UHFFFAOYSA-N 316.386 1.644 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2cscn2)Cc2cccn2C1 585099198 UBVJONZNWWNXPQ-NSHDSACASA-N 318.402 1.353 0 40 DDAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1ccccn1)C2 585107238 FTMLYABBSNQAFR-RHSMWYFYSA-N 301.390 1.389 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3)cn2)CCO1 47186868 KIJVWKCTWATGOK-CYBMUJFWSA-N 312.373 1.632 0 40 DDAB O=C1CCCN1CCN1c2cccc3cccc(c23)S1(=O)=O 69230588 WVHHSIOSZYMZIQ-UHFFFAOYSA-N 316.382 1.971 0 40 DDAB CCCOc1ccc(CNC(=O)CN2CCN(C)C[C@@H]2C)cc1 89960314 FHNUPPHDDPBXER-HNNXBMFYSA-N 319.449 1.728 0 40 DDAB Cc1cc(F)c(S(=O)(=O)NC2CCC(N)CC2)cc1F 97020536 LSOSZDRUMHUQSF-UHFFFAOYSA-N 304.362 1.821 0 40 DDAB CN(CCS(C)(=O)=O)C[C@@H]1CCN(Cc2ccccc2)C1 76110211 AEBBCAPQNHBZOZ-INIZCTEOSA-N 310.463 1.485 0 40 DDAB COc1nc(C)c(I)c(C)c1C(N)=O 1531876494 AYKOQSOHCBZICM-UHFFFAOYSA-N 306.103 1.411 0 40 DDAB C[C@H](NC(=O)N1CCN(/C=C/c2ccccc2)CC1)C(=O)O 2411746 VHHVAVARDRAVAG-GWJCSSMESA-N 303.362 1.458 0 40 DDAB O=C(CN1C(=O)CCC1=O)N1CC2(CC(c3ccccc3)C2)C1 1775972081 UZYTZZYSTXENEY-UHFFFAOYSA-N 312.369 1.542 0 40 DDAB O=C(O)c1ccc(NCCCn2cnc3c(=O)nc[nH]c32)cc1 5117169 ABCJVUIHFVMELP-UHFFFAOYSA-N 313.317 1.320 0 40 DDAB COC(=O)CCN(CCC(=O)OC)c1cccc(NC(C)=O)c1 5138020 SXJIGSGZTVVZEB-UHFFFAOYSA-N 322.361 1.578 0 40 DDAB Cc1ccc2nc(C(=O)NCCNC(=O)c3ccccn3)[nH]c2c1 12147439 XXZDIQGUAHHTPK-UHFFFAOYSA-N 323.356 1.426 0 40 DDAB Cc1cccc(OCCOC(=O)CCCN2C(=O)CNC2=O)c1 12916923 WPCSTXCJMDCMTL-UHFFFAOYSA-N 320.345 1.249 0 40 DDAB COCC(=O)NCC[C@@H]1CCCCN1Cc1cnn(C)c1C 19749017 AEUHVJIREWAJAG-HNNXBMFYSA-N 308.426 1.236 0 40 DDAB Cc1ccc(C)c(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 9156966 AZSKVOVCFJIATN-UHFFFAOYSA-N 311.345 1.192 0 40 DDAB Cc1nnc2ccc(N3CC(Cn4cc(Cl)cn4)C3)nn12 1889134499 YMWFUAJHQOLFGR-UHFFFAOYSA-N 303.757 1.419 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3)CC2)C1 28082863 RVTJCSUUONXQFH-HNNXBMFYSA-N 323.462 1.785 0 40 DDAB CN1CCN([C@@H](CNC(=O)[C@@H]2CCCO2)c2cccs2)CC1 36089823 SKWKVZIJXQRISJ-KBPBESRZSA-N 323.462 1.332 0 40 DDAB O=C(N[C@@H]1CCSC1=O)c1ccc(OC2CCOCC2)nc1 252502813 UTOMLDNTYHGLPR-GFCCVEGCSA-N 322.386 1.401 0 40 DDAB Cc1csc2nc(O)c(C(=O)NCc3ccccn3)c(=O)n12 9716708 YCYOIYPEWCGYQZ-UHFFFAOYSA-N 316.342 1.095 0 40 DDAB O=S(=O)(NC[C@@]1(O)C=CCCC1)c1cccc2cccnc12 618255897 BNKYFWJJUOXOFU-MRXNPFEDSA-N 318.398 1.984 0 40 DDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cccc3[nH]ccc13)CC2 225788358 HOLSVOLMEKZHKQ-GFCCVEGCSA-N 322.368 1.549 0 40 DDAB CCN1CCO[C@@H](C(=O)N(C2CC2)[C@@H](C)c2ccccn2)C1 73019093 RDQWXNCMWPZBPF-XJKSGUPXSA-N 303.406 1.854 0 40 DDAB Cc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)cc1 243391 OZDSZVKXXDPIOD-UHFFFAOYSA-N 318.398 1.671 0 40 DDAB C[C@H]1CN(CCc2ccncc2)CCN1c1ccc2nncn2n1 69484810 RWMCFTKKJPGFCK-AWEZNQCLSA-N 323.404 1.273 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1cccnc1-n1cccn1 31228219 BBZYSULLEUXFKH-UHFFFAOYSA-N 311.345 1.731 0 40 DDAB CN1CN(C)N(C(=O)c2ccccc2)CN1C(=O)c1ccccc1 1662283 AGIRKJQTZIWSSL-UHFFFAOYSA-N 324.384 1.893 0 40 DDAB CC(C)CO[C@@H](C)C(=O)NCc1ccnc(-n2cccn2)c1 40522376 PKUHJJHEYUCBSE-ZDUSSCGKSA-N 302.378 1.945 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 51381948 JWVWLTIMVIHESS-BLLLJJGKSA-N 324.352 1.532 0 40 DDAB CCCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=NNN21 4368766 XIRVSAOMLPDEIY-ZDUSSCGKSA-N 314.349 1.833 0 40 DDAB CCOC(=O)CSCC(=O)Nc1ccc(C(=O)N(C)C)cc1 7506539 QDFAORBASPHFIS-UHFFFAOYSA-N 324.402 1.623 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)O)CC1 36961493 YERNNAYAMOPQBJ-UHFFFAOYSA-N 301.339 1.619 0 40 DDAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)NCc1ccco1 16554267 AMJQPSKSOBXHER-SECBINFHSA-N 323.374 1.948 0 40 DDAB O=C1CN(c2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cn2)CCN1 101401433 MWHRXQWQYNDREY-STQMWFEESA-N 314.389 1.393 0 40 DDAB Cc1csc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 21021881 YMOJXVAEZKRFDN-NSHDSACASA-N 319.386 1.709 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)C 8223248 ZKLCKKVNQBPGLG-SECBINFHSA-N 318.826 1.922 0 40 DDAB CCN1CCN(c2nc(-c3ccc(OC)c(OC)c3)no2)CC1 21529623 CQNGSANVCPQYLB-UHFFFAOYSA-N 318.377 1.896 0 40 DDAB COCCCN1CCC(NC(=O)N[C@H](C)c2cnn(C)c2)CC1 96440528 QKGUXVXPGSSJEK-CYBMUJFWSA-N 323.441 1.281 0 40 DDAB C[C@H]1COCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nn1 33050247 NUYSWODCQBRLDQ-NPQIQWPPSA-N 312.373 1.587 0 40 DDAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 9064317 FUZFIUXDZIUSMD-UHFFFAOYSA-N 320.418 1.188 0 40 DDAB O=C1NC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)N1 89787949 QCIUPJMRURIWEG-NSHDSACASA-N 320.349 1.493 0 40 DDAB O=C1C[C@H](C(=O)N2CCO[C@@H]3CCC[C@@H]32)CN1Cc1ccco1 53376104 NTLUDGDOQCVOTR-AEGPPILISA-N 318.373 1.408 0 40 DDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)Cc2ccccc2)no1 53699267 VUDJNLUHCLBXGZ-UHFFFAOYSA-N 323.374 1.383 0 40 DDAB O=C1N[C@]2(CCSC2)C(=O)N1CCOc1ccccc1F 22844992 JEFKGAMIFHIEQH-AWEZNQCLSA-N 310.350 1.632 0 40 DDAB O=C(NCCCNC(=O)c1cccc(F)c1)NC1CC=CC1 89774703 WQVRJWWVMNMFMQ-UHFFFAOYSA-N 305.353 1.963 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccnn2C)c1 24650657 MYMRFZPPNJSAPS-NHYWBVRUSA-N 312.373 1.945 0 40 DDAB CC(C)[C@@H](CNS(=O)(=O)c1cccs1)N1CCOCC1 24776732 BNDIDWNOUWYTJB-GFCCVEGCSA-N 318.464 1.383 0 40 DDAB CCN1CCC[C@H]1CNC(=O)Cn1ccc(C(F)(F)F)n1 55208589 ITBNHYJMVXDWFS-JTQLQIEISA-N 304.316 1.502 0 40 DDAB O=C(CN(CCO)CC(F)(F)F)N1CCc2ccccc21 89861254 XBDHUGXKKUKZBC-UHFFFAOYSA-N 302.296 1.432 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1Cc1nnc(-c2ccco2)o1 9594497 QWYJWKFNKXYJBX-UHFFFAOYSA-N 302.290 1.694 0 40 DDAB CC[C@H]1CN(CCOc2cccc(F)c2)CCN1C[C@H](C)O 106906843 NAMCTFSJKVFXLY-HOCLYGCPSA-N 310.413 1.982 0 40 DDAB Cn1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cn1 25309868 JOAXJJAANNASAL-NSHDSACASA-N 302.334 1.504 0 40 DDAB C[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 25441213 LGCWJKKAVNPFBZ-LBPRGKRZSA-N 315.373 1.753 0 40 DDAB CCN1CCO[C@@H](C(=O)N[C@H](C)c2ccc(OC)c(F)c2)C1 107147561 JAWGRBKILOJAMM-IAQYHMDHSA-N 310.369 1.732 0 40 DDAB Cc1ccc(-c2nnc(CN(C)[C@H]3CCS(=O)(=O)C3)o2)cc1 25943127 BGNLBHWBELIXEZ-ZDUSSCGKSA-N 321.402 1.664 0 40 DDAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOCC1 3254103 VRLGSIKDPAYUOK-ZDUSSCGKSA-N 318.417 1.961 0 40 DDAB NC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2F)cc1 16732460 SMEMUHQJQSLJTL-UHFFFAOYSA-N 322.361 1.446 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(O)=Nc2nncn21 44893393 GVYAEISSLUVJEJ-MRVPVSSYSA-N 301.262 1.178 0 40 DDAB COCCn1cnnc1S[C@H](C)C(=O)NCc1ccco1 44865648 CQLRPJBEWBGTAY-SNVBAGLBSA-N 310.379 1.315 0 40 DDAB c1cnn(-c2cncc(N3CCN(Cc4ccncc4)CC3)n2)c1 44974811 UCZZWPDQMCTBGX-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)NCC2CCC2)c1 44955435 QOYTWCGDRDWYFY-UHFFFAOYSA-N 311.407 1.194 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cnn(C)c1 44912903 JZTSQKASOHGUQD-UHFFFAOYSA-N 300.362 1.817 0 40 DDAB Cc1cc(CNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)no1 58393268 MUWSWLHAKXWEDN-VNHYZAJKSA-N 309.410 1.733 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)c1cnn(C)c1)CC2 48230207 DRMYVVPUACUSHN-UHFFFAOYSA-N 301.346 1.636 0 40 DDAB O=C(CSc1nnc(NC2CC2)s1)N1CCOC1=O 8249542 NPFJFGKELNVNJQ-UHFFFAOYSA-N 300.365 1.183 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)n1 70017124 SSGNHDGJJDWAGB-CYBMUJFWSA-N 317.393 1.099 0 40 DDAB CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 13006888 ZLFSSESGWRFYGX-ZDUSSCGKSA-N 320.414 1.746 0 40 DDAB O=C(Nc1nc(-c2ccc[nH]2)cs1)[C@H]1CCS(=O)(=O)C1 13006930 CYQCFOLOZMJWNG-QMMMGPOBSA-N 311.388 1.511 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@H]2CCCO2)cc1OC 13183650 AGWCQUPBPBZIFK-WCQYABFASA-N 323.345 1.515 0 40 DDAB O=S1(=O)N=C(N[C@@H](CO)c2ccccc2)c2ccccc21 63001507 LQJOOIWLIDIERH-ZDUSSCGKSA-N 302.355 1.459 0 40 DDAB NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 17066483 HLBMFADUKMOPBR-VIFPVBQESA-N 324.431 1.763 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O 6049860 OKZLVJMVBBVHPJ-LBPRGKRZSA-N 312.753 1.123 0 40 DDAB CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(C)cc1 4309179 KUEWHNZOGGUHGI-CYBMUJFWSA-N 317.389 1.893 0 40 DDAB NC(=O)c1ccc(C(=O)NCCc2c(F)cccc2F)nc1 65488481 NPGVJLWBGYSCRC-UHFFFAOYSA-N 305.284 1.431 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1ccc3c(c1)CCO3)C2 65474222 OLUXQMNVLUDKDY-HNNXBMFYSA-N 311.385 1.800 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccccc1OC 65490978 QOTKYDXSHBQTFO-AWEZNQCLSA-N 306.406 1.905 0 40 DDAB O=S1(=O)c2cccc3cccc(c23)N1CCn1cncn1 69773373 ZXBWLAQZSRLHFM-UHFFFAOYSA-N 300.343 1.640 0 40 DDAB C[C@H]1C[C@@H](N2CCCN(C(=O)CC3CCCC3)CC2)C(=O)O1 69707588 GDMMESZDUMZGSG-DZGCQCFKSA-N 308.422 1.805 0 40 DDAB O=S(=O)(c1cccc(Br)c1)N1CC[C@H](O)C1 61706735 WFHVDIRMZIDSGT-VIFPVBQESA-N 306.181 1.204 0 40 DDAB C[C@H](C(=O)N(C)C1CCCCC1)N1CCO[C@H](CN(C)C)C1 69808332 RFGWEWVNQIYBPL-GDBMZVCRSA-N 311.470 1.428 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCn1ccnc1 67163650 ZQRQGVAMCOYRFF-ZDUSSCGKSA-N 322.409 1.789 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)NCc2ccccn2)c1 69819695 SUXFTNSGLFXONW-KGLIPLIRSA-N 301.394 1.442 0 40 DDAB COc1ccc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cn1 69925276 FKHZGFLKGKNXIU-AWEZNQCLSA-N 321.421 1.255 0 40 DDAB CCCS(=O)(=O)N1CCN(Cc2ccccc2F)CC1 19525194 LTBZURXCBVJKIN-UHFFFAOYSA-N 300.399 1.683 0 40 DDAB O=C(NNc1cnccn1)C(=O)Nc1cccc(Cl)c1F 96013257 CLHRTQILHAAKJF-UHFFFAOYSA-N 309.688 1.351 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)Cc1ccccc1F 60357166 IEBBIGDCVNAXHC-UHFFFAOYSA-N 302.371 1.114 0 40 DDAB NC(=O)c1csc(C(=O)N2CCC[C@H]2Cn2cccn2)c1 72233929 SSUVXJMMZSVIHT-NSHDSACASA-N 304.375 1.348 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)CCO2)n1 76045648 BGZHRANWJVLLOU-GWCFXTLKSA-N 320.418 1.953 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)sc1C 72297503 JBELXNDZFWDYML-STQMWFEESA-N 310.419 1.881 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)[nH]n1 72234892 CODLXCPJEKQLBH-CYBMUJFWSA-N 302.382 1.677 0 40 DDAB CN(C)Cc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 72294963 OXUREVXHGQTXBK-INIZCTEOSA-N 313.405 1.817 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C[C@H](O)c3ccccc3Cl)CCO2)n1 76048059 ZQHAGIKGRAAPDB-KBPBESRZSA-N 322.796 1.873 0 40 DDAB Cn1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)ccc1=O 84314438 JOHFHLGOYPJYMS-GFCCVEGCSA-N 314.345 1.623 0 40 DDAB O=C(Cc1csc(N2CCNC2=O)n1)NC[C@@H]1CC=CCC1 84338677 UCSPWWPWXBKKGL-LLVKDONJSA-N 320.418 1.688 0 40 DDAB Cc1nnc(CN(C)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1C 72489080 VBHBZCSYJOKCFH-STQMWFEESA-N 315.421 1.821 0 40 DDAB O=C(COC(=O)C1(O)CCCC1)N1CCO[C@H]2CCCC[C@@H]21 84544024 YNTPGYVOUCZHRB-STQMWFEESA-N 311.378 1.005 0 40 DDAB COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1 27561786 SDSKELWGYUTNNA-AWEZNQCLSA-N 315.373 1.530 0 40 DDAB O[C@H](CN1CCn2c(nnc2C2CC2)C1)c1cc(F)ccc1F 78788125 GHGNVFDPDSEDBG-CQSZACIVSA-N 320.343 1.983 0 40 DDAB Cc1n[nH]c(=O)c(CNS(=O)(=O)CC2CCCCC2)c1C 95398726 SDJMINXEPHRFRU-UHFFFAOYSA-N 313.423 1.386 0 40 DDAB O=C(CN1C(=O)C[C@H](c2ccccc2)C1=O)N1CCCCC1 95348673 AJHNGAHLVUANKP-CQSZACIVSA-N 300.358 1.542 0 40 DDAB CS(=O)(=O)CC1(CNc2ccc3nnc(C4CC4)n3n2)CC1 95429681 RBEKOGHCMIFVBF-UHFFFAOYSA-N 321.406 1.238 0 40 DDAB C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)c1nc2ccccc2s1 95427158 BJPMMMDAGXLVNL-AAEUAGOBSA-N 319.430 1.847 0 40 DDAB O=S(=O)(CCCF)NC[C@H](O)c1ccc(Cl)c(F)c1 95447169 SRLHUDUVTFTNBT-NSHDSACASA-N 313.753 1.792 0 40 DDAB CO[C@@]1(C)C[C@@H](NC(=O)c2c(C)nn3cccnc23)C1(C)C 73271300 CTJJFVXLZJMQIF-BZNIZROVSA-N 302.378 1.971 0 40 DDAB O=C1NCCCC[C@@H]1N1CCN(Cc2ccc(Cl)cn2)CC1 95994220 DIIYLFLYKQPXLE-HNNXBMFYSA-N 322.840 1.521 0 40 DDAB CC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cncc(F)c1 95972904 IHCYADSQGBPCIP-CYBMUJFWSA-N 304.387 1.686 0 40 DDAB CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cnc(N(C)C)nc1 95985663 ABTPHDUYPADWOJ-ZDUSSCGKSA-N 306.414 1.347 0 40 DDAB Cc1ncoc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 74599183 CVZFXBLQNCJQTP-UHFFFAOYSA-N 310.331 1.233 0 40 DDAB Cc1nccc(N2CCN(C(=O)Cc3ccc(C)o3)CC2)n1 546817018 LMEKRCYHOZVLLI-UHFFFAOYSA-N 300.362 1.578 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1c(O)n2c3c(cccc3c1=O)CC2 1321721 GTWRUSOQRWPQNY-NSHDSACASA-N 314.341 1.172 0 40 DDAB biogenic CCC(=O)N1CCN(c2c(Cl)cccc2-n2cnnc2)CC1 72230181 XIHFVFASKHZYJU-UHFFFAOYSA-N 319.796 1.979 0 40 DDAB CCOC(=O)[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C)c1C 184082756 YRRFQVUMVQVOPP-HIFRSBDPSA-N 318.373 1.302 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C2 72279420 UHILIDSNXIGZRJ-BBRMVZONSA-N 318.421 1.270 0 40 DDAB Cc1c[nH]nc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78115642 HOMGAISCUSYGJZ-CQSZACIVSA-N 300.362 1.558 0 40 DDAB CCCc1nc(N2CCC[C@@]3(CCNC3)C2)c2cnn(C)c2n1 72145250 OXODJEMASYNBCE-KRWDZBQOSA-N 314.437 1.896 0 40 DDAB COc1c(S(=O)(=O)Nc2nnc[nH]2)ccc(Cl)c1Cl 72414439 FDIABCDMOOGZPN-UHFFFAOYSA-N 323.161 1.921 0 40 DDAB Cc1n[nH]cc1C(=O)N1CCOC[C@@H](Cc2ccccn2)C1 72385626 FLFYRSLTILDDDH-ZDUSSCGKSA-N 300.362 1.444 0 40 DDAB N[C@H]1CCN(c2nc(-c3ccccc3)nc3c2CCNCC3)C1 72475592 AUSLTNCRUBLQMF-AWEZNQCLSA-N 309.417 1.369 0 40 DDAB Cc1nnccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 72239341 WWXYRSWYDFBILU-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB O=C(NCc1nccc(N2CCOCC2)n1)c1cccs1 224169657 IVKUHUWTYMJZKC-UHFFFAOYSA-N 304.375 1.305 0 40 DDAB O=C(NCCSc1ncn[nH]1)c1cc(-c2ccccc2)on1 225897948 RUAIHCCRVRVHPK-UHFFFAOYSA-N 315.358 1.982 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)CC)s1 223101454 FVTFUJGRUSCIHT-ZETCQYMHSA-N 306.413 1.354 0 40 DDAB Cc1ccc(CNC(=O)NCC2CCS(=O)(=O)CC2)c(C)c1 89613885 SBZAJKRWOZVIIF-UHFFFAOYSA-N 324.446 1.927 0 40 DDAB Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)N1CCC(C(N)=O)CC1 195549565 ZMSKNIQCECEVTC-ZIAGYGMSSA-N 317.433 1.758 0 40 DDAB C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 44966878 PVGOVMXSBZCROJ-SECBINFHSA-N 300.355 1.488 0 40 DDAB CN1CCO[C@@H](C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)C1 89989369 NKDJFARQNNAAEI-OAHLLOKOSA-N 314.389 1.720 0 40 DDAB COc1ccc2nnc(C(=O)NCc3ccccc3OC)nc2c1 46088306 BAVQTXOWMCTJEH-UHFFFAOYSA-N 324.340 1.972 0 40 DDAB Cc1nn(C)c2cnn(CC(=O)NCc3ccccc3F)c12 40714606 AFUKNZOANWASIP-UHFFFAOYSA-N 301.325 1.534 0 40 DDAB Cc1cc(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)no1 85472602 SKJCIWSADMIYNP-LLVKDONJSA-N 321.358 1.411 0 40 DDAB Cn1nnc2c1CCN(C(=O)c1ccco1)[C@@H]2COCC1CC1 96100104 UJHHDWAJYMVVOB-CYBMUJFWSA-N 316.361 1.574 0 40 DDAB NS(=O)(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 96496891 KHQMAPHXMJWTSQ-ZETCQYMHSA-N 320.239 1.685 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 96184132 PYHSFVNGDDHXLB-OLZOCXBDSA-N 314.370 1.558 0 40 DDAB CO[C@H](CNC(=O)c1cccn(C)c1=O)c1cccc(F)c1 96387992 SOVABVSTLHAEJP-CQSZACIVSA-N 304.321 1.642 0 40 DDAB O=C(NCCc1ccccn1)N1CCCN(C(=O)C2CC2)CC1 97102871 YBHJOEQHNHKQHL-UHFFFAOYSA-N 316.405 1.278 0 40 DDAB CC(C)Oc1ncnc2c1CCN(C(=O)c1cscn1)CC2 96255642 DEKMKAFKHGHMDD-UHFFFAOYSA-N 318.402 1.961 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CN(CC3CC3)CC[C@@H]21)c1cscn1 96185346 KJLMHUUUEJKBNM-KCQAQPDRSA-N 321.446 1.620 0 40 DDAB COCC(=O)N1CC[C@H]2CO[C@H](CN(C)Cc3ccco3)[C@H]2C1 96056310 UKNNYGSTPDZTME-CWRNSKLLSA-N 322.405 1.221 0 40 DDAB CCOC(=O)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 94992738 YLLPEEDHXZSHDJ-UHFFFAOYSA-N 301.343 1.405 0 40 DDAB CC(=O)N1CC[C@@]2(CN(C)C[C@H]2COCc2ccccn2)C1 96218074 FJRWKHUXRVNXKA-DOTOQJQBSA-N 303.406 1.398 0 40 DDAB CC(C)c1ncsc1C(=O)N1CCN(c2cnn(C)c2)CC1 331943107 PQFKTKOLKNCKRI-UHFFFAOYSA-N 319.434 1.962 0 40 DDAB Cc1cc(C(=O)N2CCn3cnc(COCC4CC4)c3C2)no1 96260174 GYUYJQDMMGRRID-UHFFFAOYSA-N 316.361 1.762 0 40 DDAB CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccccn3)C2)O1 96160179 IWXKGMUKUPLKFK-IAGOWNOFSA-N 305.422 1.393 0 40 DDAB COCCN1CCN(C2CCOCC2)Cc2ccc(C)nc21 96199044 ZRUAZCJAHXQLBI-UHFFFAOYSA-N 305.422 1.837 0 40 DDAB CCCCS(=O)(=O)N1CCc2ncnc(C3CC3)c2CC1 96083944 HMJJMFFEJYYZDL-UHFFFAOYSA-N 309.435 1.885 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)n1 257201807 AJCXOEDHWWWQOE-YOEHRIQHSA-N 318.421 1.550 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 257278378 OCAJBSHPPXDHRY-CYBMUJFWSA-N 311.389 1.876 0 40 DDAB C[C@]12CCCN(C(=O)c3cccc(O)n3)[C@H]1CCCC(=O)N2 257258009 KSAICVOYIRZYFI-LRDDRELGSA-N 303.362 1.451 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cncc(NC)n1 257277330 NXNUHBRWKVVFPI-GFCCVEGCSA-N 313.427 1.242 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cncc(NC)n1 257277331 NXNUHBRWKVVFPI-LBPRGKRZSA-N 313.427 1.242 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257265452 LYSYDTUDESUCDM-HNNXBMFYSA-N 314.389 1.656 0 40 DDAB Cc1nc2ccc(C(=O)N3CCOC[C@H]3c3ccn[nH]3)cc2[nH]1 257290903 QETXUJOZOYSZQE-HNNXBMFYSA-N 311.345 1.808 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCO[C@@H](c2cnccn2)C1 257233956 GRMOFAGSYGEEHG-OAHLLOKOSA-N 319.386 1.380 0 40 DDAB COc1cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc1Cl 263185631 HVBARAZLGRLQSR-LLVKDONJSA-N 321.782 1.736 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c(C)c1 585139909 UNNGOHBRRFVECP-OCCSQVGLSA-N 312.435 1.717 0 40 DDAB COC[C@@]1(CC(=O)NCc2c(C)n[nH]c2C)CCCN1C(C)=O 585280220 CWLRXUINQKYKLO-INIZCTEOSA-N 322.409 1.060 0 40 DDAB Cc1cc(NCCCc2ncnn2C)nc(-c2ccccn2)n1 585142491 XFTHRFDKHCJPPH-UHFFFAOYSA-N 309.377 2.020 0 40 DDAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C3COC3)CC[C@@H]2O)c1 585288153 YAGSIWQGPGVUQB-ROUUACIJSA-N 321.417 1.187 0 40 DDAB Cc1cc(C)cc(OCCNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1 55602141 CRPBETAPKGRKTC-HOCLYGCPSA-N 318.417 1.961 0 40 DDAB C[C@H](OCC1CC1)C(=O)Nc1ncn(Cc2cccnc2)n1 65539822 WCUXXIFMKRENKB-NSHDSACASA-N 301.350 1.475 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc([S@@](C)=O)cc1 57994751 MWRWITODXSESPE-NRFANRHFSA-N 310.419 1.411 0 40 DDAB C[C@H](NCC(=O)NCCc1cccs1)[C@H](C)n1cccn1 70003974 BONZODNDWZBYTI-STQMWFEESA-N 306.435 1.843 0 40 DDAB Cn1cnc(CN2CCOC[C@@](O)(COc3ccccc3)C2)c1 1615191016 JSGOTRSWODFHEL-QGZVFWFLSA-N 317.389 1.062 0 40 DDAB CCOc1ccccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 16741206 NOHBWARAZIUZQW-JQWIXIFHSA-N 312.416 1.739 0 40 DDAB COc1nn(CC(=O)NC2(C)CCC2)c(=O)c2ccccc12 19461165 SRBWUNFIAANBRO-UHFFFAOYSA-N 301.346 1.464 0 40 DDAB Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1 19946290 ADCYRRJEXDYXLM-UHFFFAOYSA-N 318.398 1.984 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)cc1)NC1CCCCC1 9616439 AXHHZEGKZBNZIO-UHFFFAOYSA-N 318.356 1.933 0 40 DDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)[C@@H]1CCCO1 575616846 NJXVGJUZLMQTHN-JTQLQIEISA-N 304.306 1.397 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1onc2c1CCCC2 585149590 ITIIKDNWYYNPSD-JQWIXIFHSA-N 305.378 1.900 0 40 DDAB O=C1CN(c2nccn3nccc23)CCN1Cc1ccccc1 1889149567 YSXVPHOARQUKAR-UHFFFAOYSA-N 307.357 1.578 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)C(C)C)CC2)c1C 14197215 AEXGMZMAPPBTRR-UHFFFAOYSA-N 319.405 1.775 0 40 DDAB CN(CC(=O)N1CCC[C@]2(C)NCCC[C@@H]12)Cc1ccccn1 1848353291 VZHJTMCZBIAUKG-AEFFLSMTSA-N 316.449 1.647 0 40 DDAB Cc1cncc([C@@H]2CCCN(C(=O)COc3cccnc3)C2)n1 1848355462 QPMUHNAIONNXOD-CQSZACIVSA-N 312.373 1.965 0 40 DDAB NCC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 36296849 ZSSOZEJXACWSBA-UHFFFAOYSA-N 306.790 1.839 0 40 DDAB CNC(=O)CN1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037916030 IVGFYSNCQWQSMD-QGZVFWFLSA-N 306.406 1.255 0 40 DDAB O=C(C1=COCC1)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056224226 MISUBFWJYAEBMM-CQSZACIVSA-N 308.447 1.863 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 1565546810 DWCDCPYCAOAFTP-IHRRRGAJSA-N 324.396 1.411 0 40 DDAB CC[C@H](CO)NC[C@H](O)COc1ccc(Br)cc1 4279517 XZFZTQNLGWYNFV-NEPJUHHUSA-N 318.211 1.549 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2csc(C)n2)C1 2055772210 IIARHLIAEODJTO-HNNXBMFYSA-N 319.434 1.385 0 40 DDAB COc1cnccc1C(=O)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772756 ZGNZNKAJNFXVNC-OCCSQVGLSA-N 315.373 1.031 0 40 DDAB COC(=O)N1CCC(CNC(=O)c2cccc(N(C)C)c2)CC1 43982213 JFEJTRAIRWMYIC-UHFFFAOYSA-N 319.405 1.961 0 40 DDAB COc1ccc(C(=O)N2CC(Nc3ncccn3)C2)c(OC)c1 238865585 LRUCEBGDRBLQAQ-UHFFFAOYSA-N 314.345 1.430 0 40 DDAB Cc1nc2ccccc2nc1N1CCC(N2CC[C@H](O)C2)CC1 664600426 UUACNYQMUKOQMS-HNNXBMFYSA-N 312.417 1.974 0 40 DDAB Cc1ccc(C(=O)NCC(=O)NCCCn2cccn2)cc1 30169505 IEFJMDIXULKTSN-UHFFFAOYSA-N 300.362 1.128 0 40 DDAB CCS(=O)(=O)N1CCN([C@H](C)c2ccccc2OC)CC1 69414870 IHFQQSPUUQKHCI-CYBMUJFWSA-N 312.435 1.724 0 40 DDAB COC(=O)C1=C(C)[C@@H](c2ccc(OC)c(OC)c2)NC(=O)N1 340011 YZDJIAOMCHIVEY-LBPRGKRZSA-N 306.318 1.505 0 40 DDAB O=C1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CCN1 40496203 KVUKIDIUNRIHOG-UHFFFAOYSA-N 322.162 1.502 0 40 DDAB O=C(N1CCOCC1)N1CCC(n2nnc3ccccc32)CC1 1380475 STZXDVICVBCWGE-UHFFFAOYSA-N 315.377 1.520 0 40 DDAB CN(C)CCCOC(=O)C[C@@](C)(O)[C@@H]1CCOC(C)(C)C1 2095080 DOOPQZWBQGMYGP-CZUORRHYSA-N 301.427 1.828 0 40 DDAB biogenic O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F 40527173 KXYVFTOBKYSMMW-MRVPVSSYSA-N 322.308 1.051 0 40 DDAB CS(=O)(=O)NC(=O)CCCc1nc(-c2ccccc2)no1 40543880 OUMNRRXHIZMSJW-UHFFFAOYSA-N 309.347 1.135 0 40 DDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCO1 36701120 MIQFIAPHKARCNV-CABCVRRESA-N 316.357 1.547 0 40 DDAB CC(C)(C)[C@H](Cn1cccn1)NC(=S)NC[C@@H]1CCCO1 2770831 BQZPLNDTWPEGJJ-STQMWFEESA-N 310.467 1.941 0 40 DDAB CON(C)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C 36739286 ZFIQXEMJMAPBJA-GFCCVEGCSA-N 300.305 1.739 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)Cc2ccccc2)C1 4655758 OKKNYWUBFZJGGO-KSZLIROESA-N 324.424 1.871 0 40 DDAB COc1ccc(C)cc1NC(=O)CN1[C@H]2CC[C@@H]1CNC(=O)C2 4984531 SYCBNCPMAYNMHT-QWHCGFSZSA-N 317.389 1.295 0 40 DDAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6415525 YBKMWJGWWQEDGR-MNOVXSKESA-N 316.398 1.797 0 40 DDAB O=C(CCCc1nc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1 32149304 QFSJXSSJNTVKTG-LLVKDONJSA-N 322.386 1.454 0 40 DDAB NC(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 60366584 QMKFVJHTKZBWOB-LLVKDONJSA-N 304.325 1.540 0 40 DDAB CC(=O)Nc1cccc(OCCNc2ncnc3[nH]cnc23)c1 69773238 VYTDZQYEMMNALG-UHFFFAOYSA-N 312.333 1.802 0 40 DDAB COC(=O)CNC(=O)COC(=O)c1cc(Cl)ccc1Cl 2636183 IRQHYINHBFTZPW-UHFFFAOYSA-N 320.128 1.439 0 40 DDAB COCCN1CCC[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1 69654882 DHOJKQYMXJPUSU-WQMJKPAKSA-N 324.446 1.688 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(Cc2cccc(C(N)=O)c2)CC1 69652621 QBICFRYJRGNHBE-MRXNPFEDSA-N 319.449 1.310 0 40 DDAB O=C(CNc1ccc(-n2cnnn2)cc1)NCCc1ccccc1 60465917 WAFSLOIXJVQOMB-UHFFFAOYSA-N 322.372 1.433 0 40 DDAB COC(=O)c1ccccc1NC(=O)CSc1ncccn1 530514 RMYLRFYIFKXBED-UHFFFAOYSA-N 303.343 1.994 0 40 DDAB NC(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 15567211 SJOIETITRYVMFL-UHFFFAOYSA-N 322.324 1.134 0 40 DDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 107712589 RZVDYOMZEUIDDE-CABCVRRESA-N 317.451 1.634 0 40 DDAB Cc1ccccc1OCCN(C)C(=O)N[C@H](C)c1nncn1C 46963766 NCIAUODQWAGCHJ-CYBMUJFWSA-N 317.393 1.905 0 40 DDAB CN1CC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O 42246453 BDFZQGUUGDKPQJ-SNVBAGLBSA-N 302.252 1.633 0 40 DDAB NC(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F 61559392 MGEFVNXQVMCIRD-UHFFFAOYSA-N 300.233 1.016 0 40 DDAB O=C(Nc1ccc(CCO)cc1)[C@H]1CCCN1C1CCOCC1 104391340 XRTFCNKPRLZKDJ-QGZVFWFLSA-N 318.417 1.803 0 40 DDAB COC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355167 NHYYBJHFSGKUFZ-ABAIWWIYSA-N 322.336 1.024 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)[C@H](C)CO1 47643005 ARHGIODXIJYYBH-MGPQQGTHSA-N 317.389 1.066 0 40 DDAB O=C(C1CC1)N1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 24597551 NIHPONXZZANETL-HNNXBMFYSA-N 308.809 1.928 0 40 DDAB O=C(NCC(=O)N1CCn2c1nc1ccccc12)c1ccccc1 12540793 MPBPDYKGEZXUKR-UHFFFAOYSA-N 320.352 1.813 0 40 DDAB CC(C)n1nccc1NC(=O)CSc1nnnn1C(C)C 23175802 ZSVFEQBLWHTTGF-UHFFFAOYSA-N 309.399 1.762 0 40 DDAB Cc1c([C@@H](C)NC(=O)NC[C@H](c2ccco2)N(C)C)cnn1C 47792569 YPCUMJQZQPMLGK-BXUZGUMPSA-N 319.409 1.985 0 40 DDAB COCCCn1cnnc1S[C@@H](C(N)=O)c1ccccc1 25320693 ATUQLGLGTJRWJC-GFCCVEGCSA-N 306.391 1.633 0 40 DDAB O=C([C@H]1COCCO1)N(Cc1ccccc1)C[C@@H]1CCCO1 56150173 GYJGLEZXIKLOLX-JKSUJKDBSA-N 305.374 1.610 0 40 DDAB NC(=O)COc1cccc(NC(=O)CSc2ccncc2)c1 26824276 OQBQUEBJRAWSHK-UHFFFAOYSA-N 317.370 1.677 0 40 DDAB O=C(CN1CSCC1=O)NCCCn1ccc2ccccc21 57992817 KDUNRINSKQKGAJ-UHFFFAOYSA-N 317.414 1.681 0 40 DDAB COc1ccc(Cl)cc1NCCC(=O)NCc1nncn1C 58280577 KCNIJMUMIRLSHI-UHFFFAOYSA-N 323.784 1.596 0 40 DDAB CCN(CC)C(=O)CCNS(=O)(=O)c1cccc(F)c1F 58289765 LVJIFOURQGNFFI-UHFFFAOYSA-N 320.361 1.502 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@H]1CCOC1 44971484 ULIXRBFIYPUNTO-CYBMUJFWSA-N 315.377 1.445 0 40 DDAB Cc1cccc(OCCNC(=O)N2CCC3(CC2)OCCO3)c1 44934035 NVOXUEIMSWVEOZ-UHFFFAOYSA-N 320.389 1.922 0 40 DDAB COc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc2c1OCCO2 27868161 BHOOAQURBBWEIL-JQWIXIFHSA-N 307.346 1.764 0 40 DDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cccc(F)c2)CC1 58394367 WWGFADRDHBXURE-HNNXBMFYSA-N 319.380 1.380 0 40 DDAB Cn1nc(C(=O)NCc2ccc(O)cc2)c2ccccc2c1=O 48248450 QOGWUHTZMMWIDP-UHFFFAOYSA-N 309.325 1.569 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)C(=O)N(C)C 48333641 HALZUUWGXJOGPS-HUUCEWRRSA-N 318.417 1.857 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 48332637 DXYGZMUBXUDLMR-BXUZGUMPSA-N 321.425 1.043 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1ccccn1 48314266 YVCCGNHRRDJSPY-UHFFFAOYSA-N 321.340 1.717 0 40 DDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 49170324 GSPIXLXWKOPJNL-HNNXBMFYSA-N 316.401 1.830 0 40 DDAB O=C(CN1CCO[C@@H]2CCCC[C@H]21)NC(=O)Nc1ccccc1 63567098 YEBDZJAJFIHUNB-HUUCEWRRSA-N 317.389 1.978 0 40 DDAB CC[C@H](C)C(=O)NS(=O)(=O)c1c(Cl)nc2ccccn12 49514608 FWWYFESKVPIIQX-QMMMGPOBSA-N 315.782 1.839 0 40 DDAB O=C(NC1CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 13610604 AOMDYPLHYXBWLV-AWEZNQCLSA-N 309.410 1.352 0 40 DDAB Cc1cccc(CCNC(=O)NCC(=O)Nc2cccnc2)c1 70008945 BCJNTNWZHSFNHI-UHFFFAOYSA-N 312.373 1.870 0 40 DDAB OCCN1CCC(CNCc2ccccc2-n2cncn2)CC1 69370369 AXDUDCRTQBQGJX-UHFFFAOYSA-N 315.421 1.061 0 40 DDAB CS(=O)(=O)CCCNC(=O)C1(c2ccc(F)cc2)CCC1 65577178 CACQJSNOFRCFIB-UHFFFAOYSA-N 313.394 1.798 0 40 DDAB CCn1c(=O)n(CC(=O)NC[C@H]2CCCO2)c2ccccc21 14145492 FIGZFDYCHWUEOL-GFCCVEGCSA-N 303.362 1.118 0 40 DDAB O=S(=O)(CCNc1ncnc2[nH]cnc12)c1ccccc1 91460462 GQSZQEXBBFRTIQ-UHFFFAOYSA-N 303.347 1.239 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccco2)c1 24356982 ZESUJOIBKRVWJZ-UHFFFAOYSA-N 309.343 1.887 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5516428 OIPNPOOANSBUSI-UWVGGRQHSA-N 302.808 1.994 0 40 DDAB CC(C)NC(=O)CN(C)[C@@H](C)C(=O)NCc1ccc(F)cc1 15028693 LJHWPVTUEVVRID-LBPRGKRZSA-N 309.385 1.287 0 40 DDAB C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)n1cncn1 4988354 HUIROOJFNCGDCH-VIFPVBQESA-N 300.771 1.471 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(-c3ccoc3)no1)CC2 69820327 XGODDGSKUHECTG-NSHDSACASA-N 300.322 1.334 0 40 DDAB CN(C)C[C@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CCO1 69814878 ZZTGTGYEHMKHBK-WFASDCNBSA-N 300.349 1.261 0 40 DDAB NC(=O)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 69856961 KCZCPDNZBLHYMH-MRXNPFEDSA-N 317.433 1.330 0 40 DDAB CC(=O)c1c(SCC(=O)NC2CCCC2)nc(=O)[nH]c1C 8761943 MYXNJZIIVKPRSP-UHFFFAOYSA-N 309.391 1.432 0 40 DDAB CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(N)=O)=C(C)N2 8843469 AGVLYLOITSSVKZ-NSHDSACASA-N 319.365 1.913 0 40 DDAB CCC(=O)N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19315897 WAMVNTCQOXVQMC-APPZFPTMSA-N 303.617 1.978 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCCc1cccs1 71875495 ZVJQAYGFEGYBSU-AWEZNQCLSA-N 318.446 1.768 0 40 DDAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccccc2)no1 71859228 PAZNTJACFDTTCL-QKVFXAPYSA-N 306.387 1.937 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(F)ccc2C)CC1 71881915 JXPSJFLDZMNZNS-OAHLLOKOSA-N 324.396 1.289 0 40 DDAB COc1ncccc1N(C)C(=O)c1ccc(-n2ccnn2)cc1 89813021 UOGHVBPQJUDURH-UHFFFAOYSA-N 309.329 1.948 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCCc1nc(C)no1)C2 72279136 NJTCMBMDOGNFEP-GFCCVEGCSA-N 303.366 1.337 0 40 DDAB NC(=O)CN1CCN(Cc2nc(-c3cccs3)cs2)CC1 22630934 VVARQOFZMMFPBG-UHFFFAOYSA-N 322.459 1.475 0 40 DDAB CC[C@H]1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 97081139 SEKFMXSUVBHRCR-LBPRGKRZSA-N 315.377 1.933 0 40 DDAB O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CCCn1ccnc1 97049948 VOZPKJITHKOTOY-GOSISDBHSA-N 324.384 1.753 0 40 DDAB COCCNC(=O)Nc1nc2ccc(Br)cn2n1 97136330 AHIHITMBWMIQHA-UHFFFAOYSA-N 314.143 1.260 0 40 DDAB CCn1nnc2cc(C(=O)N[C@@H]3CCc4nccn4C3)ccc21 97197324 YIOHAFZBWXFAHT-GFCCVEGCSA-N 310.361 1.393 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCO3)CC2 97198416 VJVYJIBWQRDWNN-NSHDSACASA-N 314.345 1.314 0 40 DDAB CC(C)c1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300831 RDOKDFDEQPEHAQ-MEBBXXQBSA-N 321.381 1.003 0 40 DDAB CCc1n[nH]c([C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 78892698 AKTPJMSFUBCAFY-SNVBAGLBSA-N 304.354 1.201 0 40 DDAB CC(C)c1nc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)no1 78900763 XSUYRLRHOYDAGZ-SNVBAGLBSA-N 318.381 1.395 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)NCCC1=CCCCC1 98063841 CIAGNBNEMVANDF-UHFFFAOYSA-N 304.346 1.553 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)NCCc1cc(F)ccc1F 78987887 QLXPLOBDOTWNCM-SNVBAGLBSA-N 309.320 1.487 0 40 DDAB CNS(=O)(=O)c1csc(-c2nc(-c3ccncc3)no2)c1 79014674 UMYDUIGTXOSIQM-UHFFFAOYSA-N 322.371 1.768 0 40 DDAB CN(CCN1CCCC1=O)C(=O)Cc1ccc(O)cc1Cl 79110315 OXHXLZKKHMIGLF-UHFFFAOYSA-N 310.781 1.669 0 40 DDAB C1CCC2(C1)[C@H]1OCC[C@H]1[C@H]2NC[C@@H]1CN(C2CC2)CCO1 95988062 LKYBYRFUYIIZBN-TWMKSMIVSA-N 306.450 1.787 0 40 DDAB C[C@@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)O)n1 95969774 DOEMPUQPVCPHFD-NSHDSACASA-N 301.346 1.869 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCc3nnc(-c4ccccc4)n3C2)[nH]n1 95998151 MNHSFFFIQMRINZ-CYBMUJFWSA-N 322.372 1.721 0 40 DDAB O=C(NCCO)c1nc2ccc(Cl)cn2c1Br 22996841 PFBULERONLEAQB-UHFFFAOYSA-N 318.558 1.472 0 40 DDAB O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCCC2)C1 95999790 IBTCHCBPJJUFLN-HNNXBMFYSA-N 322.430 1.717 0 40 DDAB CCCNC(=O)[C@@H](C)Nc1cc(F)cc(N2CCOCC2)c1 95966696 UQHMHICVQWETKU-GFCCVEGCSA-N 309.385 1.989 0 40 DDAB C[C@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccccn1 1558783688 KBXHLEOAZCASNR-QGZVFWFLSA-N 310.357 1.612 0 40 DDAB CC[C@@H](c1ccc(F)cc1F)N1CCN(c2nnnn2C)CC1 525707184 LWPWNWCQFRYKJQ-AWEZNQCLSA-N 322.363 1.762 0 40 DDAB Cc1cccc(Cl)c1S(=O)(=O)NC1(CN)CCOCC1 528057637 YPBRVFKJEWJENU-UHFFFAOYSA-N 318.826 1.435 0 40 DDAB O=C1NC(=O)C(Br)(Br)c2ccccc21 71255726 BNTNFDGWEYFHJO-UHFFFAOYSA-N 318.952 1.899 0 40 DDAB CS(=O)(=O)CCOc1nc(Cc2ccc(F)cc2)no1 79031704 PUFGXIXTDGZDDN-UHFFFAOYSA-N 300.311 1.223 0 40 DDAB CCOC(=O)[C@](C)(NC(=O)CCOCC(F)F)C(F)(F)F 1538328384 ZTGLNDZLQJUOOZ-JTQLQIEISA-N 321.242 1.659 0 40 DDAB Cc1csc2c(N3CCC4(CC3)NC(=O)NC4=O)ncnc12 359439110 OGXWXBFOGQURAT-UHFFFAOYSA-N 317.374 1.178 0 40 DDAB CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(CCO)C2=O 35326735 GRDWPSIBHLNTPO-ZDUSSCGKSA-N 321.764 1.125 0 40 DDAB CCn1ncc(CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C 36624035 NPTZEOQWGAHHSZ-UONOGXRCSA-N 305.378 1.837 0 40 DDAB Cc1ccc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 72364477 WDVIPOFMIXPOAU-CYBMUJFWSA-N 320.418 1.692 0 40 DDAB COCCN(C(=O)C=C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 78718593 WVCYXVMOBLPACY-CQSZACIVSA-N 315.435 1.539 0 40 DDAB CN1CC[C@@H](NC(=O)NCC2(CO)CCC2)[C@@H]1c1ccccc1 182060964 SYMFFWPLLUDFJP-CVEARBPZSA-N 317.433 1.894 0 40 DDAB Cc1nc(I)c(C(=O)O)c(C(=O)O)c1C 78550064 YOOAWDUSECIJCF-UHFFFAOYSA-N 321.070 1.699 0 40 DDAB c1nc(N2CCC[C@H](N3CCOCC3)CC2)c2cc[nH]c2n1 519837385 VHGCPPVECTVPTM-ZDUSSCGKSA-N 301.394 1.649 0 40 DDAB CN(C)C(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224618399 UBZLGCVRBJWWTM-UHFFFAOYSA-N 304.799 1.190 0 40 DDAB Cc1cc(C)n2c(CN3CC[C@@H](C)S(=O)(=O)CC3)cnc2n1 192050620 NXBMMQIPICQQRI-CYBMUJFWSA-N 322.434 1.355 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(Cc4ccccn4)C[C@H]32)nn1 96054404 OMSGTODLQQWOFI-CVEARBPZSA-N 311.389 1.270 0 40 DDAB CC(=O)N1CCc2cc(C(=O)O)c(-c3cnn(C)c3)nc2CC1 96189590 LBZCTELOPZYZMZ-UHFFFAOYSA-N 314.345 1.127 0 40 DDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NC(C)C)C2)cc1 96252861 SAVOBLVQMIWGNX-IXDOHACOSA-N 318.417 1.809 0 40 DDAB CCO[C@@H]1CCN(c2ccc(C)nn2)[C@@H]1Cc1cnn(C)c1 96200626 UAIRDXFJKNHMBN-HUUCEWRRSA-N 301.394 1.745 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)C(=O)N[C@H]2c1ccccc1 96080428 JJPACMQDGUQQSJ-HNNXBMFYSA-N 301.390 1.028 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96219239 FJFWYYUUXGVLKH-WBMJQRKESA-N 322.384 1.984 0 40 DDAB c1coc(CN2CCCn3c(CN4CCOCC4)nnc3C2)c1 96259696 RZKWRLSZCACLSE-UHFFFAOYSA-N 317.393 1.109 0 40 DDAB CCOC(=O)CNC(=O)c1cnn(-c2ccccc2)c1Cl 95117415 SVMYHSBCCYWKSC-UHFFFAOYSA-N 307.737 1.819 0 40 DDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]2[C@H](CCN2CC2CC2)O1 96183725 AERLAZQRXHFRGP-YESZJQIVSA-N 315.417 1.682 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2[C@H]1CCN2CC1CCOCC1 96063952 CENVDEBVWZFTER-HZPDHXFCSA-N 316.405 1.192 0 40 DDAB CCOCc1cnc2n1CCN(C(=O)c1ccn(C)n1)[C@@H]2C 96206005 GJBLVIOHYVRITP-LLVKDONJSA-N 303.366 1.370 0 40 DDAB COc1nn(C)c2c1CCCN(C(=O)COc1ccccc1)C2 96254465 CIQPMCRMIUBKIS-UHFFFAOYSA-N 315.373 1.783 0 40 DDAB CCN1C[C@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O 247963360 GHFHKXNDHFOYDS-CVEARBPZSA-N 315.417 1.370 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2cc(C)no2)O1 252509718 YTYHCZWQDLFZIL-NOHGZBONSA-N 308.334 1.307 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 257246433 IUCCRYVYXGBRND-LJQANCHMSA-N 316.445 1.633 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCOC[C@H]1c1ccn[nH]1 257211017 BXDHSVSYNHDNKL-AWEZNQCLSA-N 305.309 1.528 0 40 DDAB CCC(=O)N1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257306251 STLINXFKLUNVQT-NSHDSACASA-N 315.377 1.157 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](c2cnccn2)C1 257300941 RWHUKONFEXAMOE-LBPRGKRZSA-N 308.345 1.768 0 40 DDAB Cc1nccc(N2CCO[C@H](c3nccnc3N(C)C)C2)n1 257321798 WDHBCWKTHDACCI-LBPRGKRZSA-N 300.366 1.219 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)c1cncnc1C 257326832 WYUFICFZWUMORM-OAHLLOKOSA-N 312.373 1.580 0 40 DDAB O=C(O)[C@H]1CCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 257226247 FJUKWUNRPFPRSN-VIFPVBQESA-N 305.309 1.568 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257231737 GHZKZOBVXMLHBG-CYBMUJFWSA-N 303.366 1.213 0 40 DDAB Cn1cccc1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257318615 VOSBXTCSWRXXAL-CQSZACIVSA-N 300.362 1.289 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3ccno3)C2)nn1 257322542 WGJVUFDUXDINMY-NSHDSACASA-N 301.350 1.601 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)ccn1 257323784 WLVGEZIYQVFPNG-ZDUSSCGKSA-N 321.406 1.397 0 40 DDAB CO[C@@H](CS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1)C1CC1 575921810 SAZWKZDMKVAEFH-LBPRGKRZSA-N 317.338 1.691 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccccc1F 585094911 UANBQAWZTDYJRM-CYBMUJFWSA-N 317.364 1.702 0 40 DDAB OC[C@@]1(Cc2ccccc2F)CN(Cc2cc[nH]n2)CCO1 585275525 FVHHGFZUAYYIQB-MRXNPFEDSA-N 305.353 1.355 0 40 DDAB O=C(NC1CCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096036 NZJQDHYJLCLFQA-AWEZNQCLSA-N 302.378 1.235 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O 51382163 LZWQVPFKAYNHRD-SWLSCSKDSA-N 312.316 1.965 0 40 DDAB CC[C@H](N[C@H](C)Cn1cc(C)cn1)C(=O)Nc1cc(C)on1 69561429 MWXOCLJFCGKARU-YPMHNXCESA-N 305.382 1.883 0 40 DDAB Cn1nnn(-c2ccc(NC(=O)NC3CCCCC3)cc2)c1=O 75163162 IZMKBTLHJMNYPB-UHFFFAOYSA-N 316.365 1.420 0 40 DDAB CCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 1576001 QAMWOWOICSBQBJ-ZDUSSCGKSA-N 322.361 1.672 0 40 DDAB Cc1nc(C(=O)N2CCC[C@@H]2CO)nn1-c1ccc(Cl)cc1 153914001 KQUYWQFEXMBVTM-CYBMUJFWSA-N 320.780 1.826 0 40 DDAB Cc1nnsc1C(=O)NCc1ccc(-c2ccnn2C)o1 1888899155 KQEUBERYYONHOG-UHFFFAOYSA-N 303.347 1.770 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1 1889068371 ZVEJBIFRLRGSCY-NSHDSACASA-N 315.295 1.584 0 40 DDAB COc1ccc2c(CN3CCCC[C@H]3C(N)=O)cc(=O)oc2c1 32664806 RHLGCSIZPNNNSX-AWEZNQCLSA-N 316.357 1.641 0 40 DDAB O=C(CN1CCC2(CC1)OCCO2)N1CCc2ccccc21 28076581 IRGMYVIGAZEJSI-UHFFFAOYSA-N 302.374 1.415 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2)cc1Cl 44492870 ALWGMBIINFSARF-JTQLQIEISA-N 318.826 1.769 0 40 DDAB CC(C)CN1CC[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]2CC1 2056223298 DTYLPBWTXHAQNT-GASCZTMLSA-N 304.438 1.860 0 40 DDAB Cc1cc(N2CCN(Cc3cc(C)on3)CC2)nc(N(C)C)n1 2087122785 WHCRUCOSWJWODF-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2cc[nH]c2)[C@H]1Cc1cnn(C)c1 1565545201 BJIYYCULCCYDIR-CABCVRRESA-N 301.394 1.136 0 40 DDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1 11694321 QKTPPSBDVZNKEK-UHFFFAOYSA-N 319.336 1.883 0 40 DDAB CCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713698 ZYXOLMCZLONXTC-GFCCVEGCSA-N 304.394 1.160 0 40 DDAB CO[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccccc1)c1ccco1 206867097 KYTKCKWOQYJZKX-SWLSCSKDSA-N 316.357 1.961 0 40 DDAB O=C(O)CCN1CCN(C(=O)CCCc2ccccc2)CC1 69434507 RIVYWOHZVLNZKX-UHFFFAOYSA-N 304.390 1.628 0 40 DDAB COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 58847561 FQOSTHMBJHXTJU-SNVBAGLBSA-N 314.363 1.012 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Cn2cncn2)cc1 45449487 NPIHXQLGNVZFPC-QWHCGFSZSA-N 300.362 1.576 0 40 DDAB OC[C@@H]1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 69484509 TXBFGAPIVAAOHI-LBPRGKRZSA-N 317.345 1.812 0 40 DDAB COc1ccc([C@@H](CC(=O)Nc2cnn(C)c2)NC(C)=O)cc1 40512500 HZQOQAPIJDXGIB-OAHLLOKOSA-N 316.361 1.635 0 40 DDAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40511913 UJRHYXIBLUESAI-SECBINFHSA-N 301.268 1.739 0 40 DDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCC(F)(F)F 101395655 QSZXIPSAJHMKDH-SGDMMICCSA-N 310.341 1.923 0 40 DDAB Cc1ccc(OCCN2CC3=C(C2=O)[C@@H](C)NC(=O)N3)cc1 8315878 XHBHAZSDVIURPT-LLVKDONJSA-N 301.346 1.171 0 40 DDAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCC(C(N)=O)CC1 8558382 GPFJSRXXMAUCAD-HNNXBMFYSA-N 304.390 1.876 0 40 DDAB CC[C@@H](C)n1[nH]cc/c1=N\C(=O)[C@H](C)OC(=O)C1=COCCO1 102391826 PCRPRTALUZZHPK-CVQDRVJJSA-N 323.349 1.034 0 40 DDAB COc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 2629658 OTFODOGJLPIACZ-UHFFFAOYSA-N 310.313 1.439 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 69871324 JDGHXKLGIFKSPX-CYBMUJFWSA-N 305.426 1.618 0 40 DDAB NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)C1 32934146 GHNAVRLTRLUQLE-GFCCVEGCSA-N 317.393 1.411 0 40 DDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccncc1 59869517 YCFRTUATQMPLHW-OBJOEFQTSA-N 320.418 1.746 0 40 DDAB biogenic COCCOc1cccc(C(=O)NCCNc2ncccn2)c1 53482651 CQHWYEAASAZKDJ-UHFFFAOYSA-N 316.361 1.344 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nncn2C)c1 23636920 DEQAKISJDYHKHQ-VIFPVBQESA-N 322.390 1.952 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)/C=C/c1cncc(F)c1 104103666 XGQADUWUASZXMR-DUCCUYKQSA-N 318.348 1.938 0 40 DDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn(C)c1C 106037534 AJDIOVORXVXBOR-XBFCOCLRSA-N 305.378 1.675 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NOCc1ccccc1)CS2 25286517 ONAVIPQHPCMDES-SWLSCSKDSA-N 306.387 1.688 0 40 DDAB COc1ccccc1N1CCN(CC(=O)NCC2CC2)CC1 25415012 MGGZJJMSFYXBIP-UHFFFAOYSA-N 303.406 1.343 0 40 DDAB CCOC(=O)[C@@H](C)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 60368392 RHBZCJUYFHCDHW-QLFBSQMISA-N 312.454 1.759 0 40 DDAB CCn1c(=O)c2sccc2n(CC(=O)NCCC(C)C)c1=O 57478698 VJCTWTLRWQFLCZ-UHFFFAOYSA-N 323.418 1.407 0 40 DDAB O=C(C1CC1)N1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 12552279 GQKPRSZFZYFSOS-HNNXBMFYSA-N 316.426 1.784 0 40 DDAB c1ccc(CCn2nnnc2CN2CCN3CCC[C@@H]3C2)cc1 20143260 GKZWHTXLTXGQLN-MRXNPFEDSA-N 312.421 1.196 0 40 DDAB CC(C)(C)c1cn2nc(N3CCS(=O)(=O)CC3)sc2n1 57839939 QDOQRUWRIYQIHP-UHFFFAOYSA-N 314.436 1.323 0 40 DDAB C[C@@H](Cn1cnc2ccc(Br)cc2c1=O)C(=O)O 35757018 PFJGFDPBWGPVND-ZETCQYMHSA-N 311.135 1.880 0 40 DDAB O=C(CSc1nnc(NC2CC2)s1)NCC(F)(F)F 7577578 DCHIATOZACMXIK-UHFFFAOYSA-N 312.342 1.883 0 40 DDAB COc1cc(CN(C)CCC(=O)NC(N)=O)ccc1SC 58292834 QHXSDRDXOXRTIL-UHFFFAOYSA-N 311.407 1.434 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1 58265164 RRYAVCHZXUBRTC-UHFFFAOYSA-N 316.361 1.484 0 40 DDAB Cc1nc(COc2ccc(C(=O)N3CCOC[C@@H]3C)cc2)no1 44912440 IJSJTJBDNRUVCI-NSHDSACASA-N 317.345 1.818 0 40 DDAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 408591103 IOGZZCMXBHSPDN-XYOKQWHBSA-N 302.330 1.961 0 40 DDAB CCCn1cc(NS(=O)(=O)c2c(C)noc2C)ccc1=O 58341960 WGIWJOZHUZAFPH-UHFFFAOYSA-N 311.363 1.664 0 40 DDAB C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)n1cncn1 45196085 XGVPJTZSRXIUNF-GOEBONIOSA-N 313.405 1.792 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN(CN2CCOC2=S)C1 12819807 QLSHIVYRCYFZGJ-ZDUSSCGKSA-N 319.430 1.912 0 40 DDAB CCNC(=O)N1CCN(C(=O)Cc2cc(C)ccc2C)CC1 68251741 ZPPMIQUEOHQNJG-UHFFFAOYSA-N 303.406 1.720 0 40 DDAB CN(C)CCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 6176970 OGVFUZXVQPUASW-ZDUSSCGKSA-N 307.419 1.557 0 40 DDAB CCN1CCCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 69663229 JGGJNNIPNLYQDX-BBRMVZONSA-N 304.390 1.769 0 40 DDAB O=C(c1ccccc1)N1CCC[C@@H](Nc2ccc3nnnn3n2)C1 69660870 VIDUSZZHYZPUHG-CYBMUJFWSA-N 323.360 1.236 0 40 DDAB COc1ccc([C@H](CNC(=O)Nc2cn[nH]c2)N(C)C)cc1 65415629 PZUAKERPUOIIPG-AWEZNQCLSA-N 303.366 1.843 0 40 DDAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@@H]1CCCO1 14092775 CFRPPTZXXVHKIL-NEPJUHHUSA-N 324.450 1.780 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)cc1F 70076643 VHHYLUWOSWPORF-NXEZZACHSA-N 302.371 1.205 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@H](C)N1 70076875 BNTDIJPDQLBGGM-IUCAKERBSA-N 306.790 1.850 0 40 DDAB CCc1cccc(NC(=O)COC(=O)CN2CCSC2=O)c1 14202092 OZLXTRQIUFKQBH-UHFFFAOYSA-N 322.386 1.900 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCS(=O)(=O)C2)cc1 8328498 JRDSCURZUMXSHH-TZMCWYRMSA-N 310.419 1.489 0 40 DDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1ccc(Cl)cc1 66657643 DBSXDMJQWSRNNH-LBPRGKRZSA-N 312.822 1.872 0 40 DDAB CCN(CC)C(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 4999864 MJGCBXJUUKUJOT-UHFFFAOYSA-N 303.362 1.052 0 40 DDAB CN1CCN(c2ncc(CN3CCC[C@H]3C3CCC3)cn2)CC1 92781070 PEOPFEIXYUMTAK-KRWDZBQOSA-N 315.465 1.993 0 40 DDAB O=C(CN1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 19335462 KFEZPDBEXUEDRD-UHFFFAOYSA-N 304.268 1.856 0 40 DDAB CCNC(=O)NC(=O)CN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 71893647 WNDFHJUXKVMWHM-WWGRRREGSA-N 319.405 1.683 0 40 DDAB Cc1ccc(C)c2c(C)c(C(=O)NCc3nc(=O)o[nH]3)oc12 89626909 UXXCTLXSFWQIHA-UHFFFAOYSA-N 301.302 1.964 0 40 DDAB CSc1cccc(NC(=O)CN2CCC(C(N)=O)CC2)c1 9067098 GSTYWEDOXBUUJB-UHFFFAOYSA-N 307.419 1.544 0 40 DDAB Cc1noc(COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 71883738 JAOUGEHYOBIECS-JTQLQIEISA-N 319.292 1.613 0 40 DDAB CC(C)n1ncc2cc(C(=O)N3CCN(C4CC4)CC3)cnc21 71836721 RRIHHFFKSFTNES-UHFFFAOYSA-N 313.405 1.932 0 40 DDAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1COCCO1 96407377 QLHBYOPWRISFKE-HIFRSBDPSA-N 308.353 1.326 0 40 DDAB CC(C)C[C@H](NC(=O)c1cscn1)C(=O)Nc1cc[nH]n1 96449103 QMWQUEJUVILASL-VIFPVBQESA-N 307.379 1.649 0 40 DDAB C[C@@H](CC(=O)Nc1ccnc2ccnn12)NC(=O)C1CCCC1 96409660 HBFORPPGTIJNMT-NSHDSACASA-N 315.377 1.753 0 40 DDAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn[nH]c1C 71900139 QZMQPNIBDHWLRZ-AWEZNQCLSA-N 301.346 1.622 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)nc1)CC2 89986440 FHKJAVHYNJHZLP-HUUCEWRRSA-N 304.390 1.782 0 40 DDAB Cc1cccn2cc(CC(=O)N3CCC[C@H](n4cncn4)C3)nc12 72235046 KQCKKCHCCHEDEF-HNNXBMFYSA-N 324.388 1.640 0 40 DDAB O=C(NCCOC[C@H]1CCCO1)N1CCc2ccccc2C1 72286315 SRTOGHPYGSFBJQ-MRXNPFEDSA-N 304.390 1.950 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(C)s1 97013406 ILLZDZZQYPIBJV-SNVBAGLBSA-N 312.420 1.770 0 40 DDAB C[C@@H]1OCC[C@@H]1NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 97143166 PADBMAGZAXKWAO-DZKIICNBSA-N 318.421 1.647 0 40 DDAB Cc1cccnc1CN1CCC(N2CCS(=O)(=O)CC2)CC1 97147476 KCAZWBDJXJJRJW-UHFFFAOYSA-N 323.462 1.085 0 40 DDAB O=C1CN(S(=O)(=O)c2ccc(F)cc2)c2ccncc2N1 72307409 RSOONYIYCNLDDK-UHFFFAOYSA-N 307.306 1.368 0 40 DDAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)NC[C@@H]1CCCO1 76051460 IVXGJYVFUJRQQV-QWHCGFSZSA-N 320.393 1.379 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c(F)cc1F 95441148 CPNWQXUIUKEFPX-CABZTGNLSA-N 305.346 1.713 0 40 DDAB CN(C)c1nccc(CNCCC(=O)NC2CCCCC2)n1 95462199 VGERHGGBISCGIV-UHFFFAOYSA-N 305.426 1.471 0 40 DDAB NC(=O)c1cccc(CCNS(=O)(=O)CC2CCCC2)c1 95420580 MIWHJRUQQLLWMF-UHFFFAOYSA-N 310.419 1.438 0 40 DDAB C[C@H]1CC(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)=NO1 95448376 CTTSYLMQZZBMRH-JTQLQIEISA-N 302.309 1.792 0 40 DDAB O=C(NCc1ccco1)N[C@H]1CS(=O)(=O)c2ccccc21 95409530 RJYYRBXYZGUYLA-LBPRGKRZSA-N 306.343 1.607 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2CCN(C)C2=O)cc1OCC 78845157 NIZPERLDCVSQCZ-GFCCVEGCSA-N 306.362 1.445 0 40 DDAB Cc1ccc2ncc(CNC[C@H]3COC4(CCOCC4)O3)n2c1 95991132 LQPQVCWDVMIKRQ-HNNXBMFYSA-N 317.389 1.654 0 40 DDAB CNC(=O)c1cc(NC(=O)C2(NC(C)=O)CCCC2)ccc1F 95953736 FCBGDOZHNHWQJZ-UHFFFAOYSA-N 321.352 1.573 0 40 DDAB CCn1cc([S@@](=O)Nc2ccc([S@](C)=O)c(F)c2)cn1 79112755 BSTPUTDWXPJHRI-UXHICEINSA-N 315.395 1.914 0 40 DDAB CCN1CCCC[C@@H]1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 75092531 JCWYBIXKFCILIB-DGCLKSJQSA-N 323.359 1.570 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 32879656 NVJOBODXXNJOEN-SECBINFHSA-N 316.361 1.663 0 40 DDAB COC(=O)C[C@]1(NC(=O)c2noc3c2CCCCC3)CCOC1 547720600 ZGUCBBCWIVMKPV-MRXNPFEDSA-N 322.361 1.396 0 40 DDAB CCCn1cc(S(=O)(=O)N(C)Cc2cn(C)nc2C)cn1 36615241 RCJCKNBYSRBVPK-UHFFFAOYSA-N 311.411 1.156 0 40 DDAB C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncc2c(F)cccn12 528813860 DAGCZZWZHLCFDA-ZWNOBZJWSA-N 302.353 1.686 0 40 DDAB Cc1cc(N)nc([C@]2(C)CCCN2C(=O)c2cscn2)n1 72388473 DVFFGAJDEGBFKC-AWEZNQCLSA-N 303.391 1.975 0 40 DDAB O=C(CC1CCN(c2ncccn2)CC1)Nc1nncs1 72366482 INNNYNWGPFMGKT-UHFFFAOYSA-N 304.379 1.573 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 77844652 CYHNGJCPQNXELY-BJOHPYRUSA-N 314.332 1.817 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)O 36293804 HONSGGYAQAWECA-LLVKDONJSA-N 303.405 1.480 0 40 DDAB COc1ccc2nnc(CCC(=O)Nc3ncccc3C)n2n1 71285044 ZFKQZWWVLQSDMM-UHFFFAOYSA-N 312.333 1.408 0 40 DDAB CCOC(=O)c1c2c(nn1Cc1cccc(OC)c1)CCNC2 72233712 LIDHBOYEBXXJNX-UHFFFAOYSA-N 315.373 1.762 0 40 DDAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCC1 72324247 BRCWXEICKOLVSC-LBPRGKRZSA-N 300.362 1.486 0 40 DDAB Cc1cccc(CN2CCO[C@](C)(C(=O)N3CCOCC3)C2)c1 72379553 RHJIQKWESITBPV-SFHVURJKSA-N 318.417 1.445 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCC1(F)F 567434690 CSTIHASRQYREBI-SNVBAGLBSA-N 307.304 1.780 0 40 DDAB C[C@H]1c2ccsc2CCN1S(=O)(=O)N1CCOCC1 48412096 IDCQLPJNLHCXFZ-JTQLQIEISA-N 302.421 1.244 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1C 225694392 KRALAPDRYAUZBP-UHFFFAOYSA-N 322.390 1.231 0 40 DDAB C[C@@H]1CN(C(=O)CC[C@@H]2CCCCN2C)C[C@@H](C)S1(=O)=O 568341316 VUGREYBBQBDZCC-MCIONIFRSA-N 316.467 1.285 0 40 DDAB CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(C)ccc2O)C1(C)C 191705363 SWTZYBOFIMCPFC-PBHICJAKSA-N 307.390 1.997 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)c1ccsc1 80891863 ZRLCCIQOMVDBJO-XJKSGUPXSA-N 324.446 1.863 0 40 DDAB Cc1nc(NC[C@H]2CC[C@@H](C(N)=O)O2)c2c(C)csc2n1 195567127 XLDVPUDOKJURTQ-ZJUUUORDSA-N 306.391 1.753 0 40 DDAB CN(C)CC(=O)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225483025 PYHCXQYPCVBLGG-ZDUSSCGKSA-N 303.362 1.306 0 40 DDAB biogenic,in-vitro CCOC(=O)c1cnn([C@H]2CCS(=O)(=O)C2)c1-n1cccc1 223810576 KWZPMSWUUPXTKL-NSHDSACASA-N 323.374 1.210 0 40 DDAB Cc1ccc(CNC(=O)c2cc(NC(=O)C3CC3)n(C)n2)o1 46089189 GMZTYPFZERJQDO-UHFFFAOYSA-N 302.334 1.600 0 40 DDAB Cc1cn2nc(CCN3C(=O)c4ccccc4C3=O)sc2n1 41195325 FVJBFUDTAGOZJP-UHFFFAOYSA-N 312.354 1.938 0 40 DDAB CNC(=O)[C@H]1CCCN1Cc1cc(OC)c(OC)c(OC)c1 92099497 AWUWFFWLBYTRQB-GFCCVEGCSA-N 308.378 1.423 0 40 DDAB Cc1cccc(S(=O)(=O)NC[C@H]2CCCNC2)c1Cl 97234976 IPPGXIJAFGXTFD-NSHDSACASA-N 302.827 1.926 0 40 DDAB Nc1nccnc1C(=O)N1CCO[C@H](CCc2ccccc2)C1 97375050 VIQGBFCVBNVBOD-CQSZACIVSA-N 312.373 1.533 0 40 DDAB O=C(NC1CCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 96064852 OUQBADRUJQLGER-NVXWUHKLSA-N 304.390 1.929 0 40 DDAB Cc1cc(CN2C[C@H]3OCCN(Cc4ccco4)C[C@H]3C2)no1 96108159 MFCHANIWYBCVRN-WMLDXEAASA-N 317.389 1.909 0 40 DDAB O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccno1 96112862 RHOHDJWUEALYDM-ZDUSSCGKSA-N 324.340 1.867 0 40 DDAB biogenic,in-vitro O=C(c1ncccn1)N1CCC2(CC1)C[C@H](OCC1CC1)CO2 96106662 TYGHKAJOIQMNEG-AWEZNQCLSA-N 317.389 1.667 0 40 DDAB CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CN(C)CCN1C 96415505 ZUVXXMMRGKMCNZ-HZPDHXFCSA-N 319.453 1.420 0 40 DDAB O=C(CC(=O)NC1C2CC3CC(C2)CC1C3)NCC(F)(F)F 96499989 UTEHAUXUKALCES-UHFFFAOYSA-N 318.339 1.996 0 40 DDAB CC(C)c1ccc2c(c1)[C@H](NC(=O)CNS(C)(=O)=O)CCC2 95447634 PRWBSIDIZAJSGR-OAHLLOKOSA-N 324.446 1.853 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96219015 JUBBFSAEELTZFB-WMLDXEAASA-N 312.373 1.895 0 40 DDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N(C)C)C2)cc1 248051619 XOEDVFVTDNLWEM-BZUAXINKSA-N 304.390 1.373 0 40 DDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2nc(C)c[nH]2)C1 257234632 GULMYEDMOGQKOD-ZDUSSCGKSA-N 317.393 1.467 0 40 DDAB COCCNC(=O)c1cc([C@@H]2CNCCO2)nc2ccccc12 257316246 VEUCLYBGMLDELC-INIZCTEOSA-N 315.373 1.272 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@H](c3nccc(C)n3)C2)n1 257230861 GEFNTODOUCCXNI-LBPRGKRZSA-N 315.377 1.679 0 40 DDAB Cc1cccc(N2CCC[C@H](N(C)CC(=O)N3CCCC3)C2)n1 257301908 SALXLKLGRVOECW-INIZCTEOSA-N 316.449 1.913 0 40 DDAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257334867 YHSCNPKXPXDRDI-NSHDSACASA-N 307.379 1.272 0 40 DDAB Nc1cc(CC[C@H]2CN(C(=O)c3ccccn3)CCO2)ccn1 257241060 HWKVQXWJESUPGH-AWEZNQCLSA-N 312.373 1.533 0 40 DDAB CN1CC[C@@H](NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)C1=O 363553905 YKCOZOWRFVDYOM-LSDHHAIUSA-N 319.380 1.773 0 40 DDAB CCc1sc(=O)n(CC(=O)NCC(=O)O)c1-c1ccccc1 564983670 BWSJDXHWTAOTFO-UHFFFAOYSA-N 320.370 1.340 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2sccc2C)Cc2ccnn21 585111509 CISIGUAUWONFQE-ZDUSSCGKSA-N 304.419 1.946 0 40 DDAB O=S(=O)(CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCOC1 585091620 RJNOARNFUMCZRN-SNVBAGLBSA-N 320.313 1.754 0 40 DDAB Cn1ccnc1CN1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 585273706 DLQYESGIADPEPY-GDBMZVCRSA-N 303.381 1.985 0 40 DDAB COc1ccc(CCS(=O)(=O)NCC2(O)CCCC2)cc1 44448516 ILHIBIMEXUKCNI-UHFFFAOYSA-N 313.419 1.462 0 40 DDAB O=C(COc1ccc(CCNC(=O)NC2CC2)cc1)NC1CC1 55339131 REPAEHFWEFXTAV-UHFFFAOYSA-N 317.389 1.348 0 40 DDAB NC(=O)c1cn(CC(=O)NC2CCCC2)nc1-c1ccccc1 65565224 IEHBQYQGQBLOTE-UHFFFAOYSA-N 312.373 1.708 0 40 DDAB CCN1CCN(C2CCN(CC3(O)CCCCC3)CC2)C1=O 69875064 UBNDOPUDLRZYEP-UHFFFAOYSA-N 309.454 1.904 0 40 DDAB CCOC(=O)C(CCNC(=O)OC(C)(C)C)C(=O)OCC 96028493 OJUZNOWDCVVMIO-UHFFFAOYSA-N 303.355 1.644 0 40 DDAB in-vitro CCc1cc(N2CCN(c3ncc(F)cn3)CC2)nc(C)n1 273509660 PWVGHTRCFNWBEH-UHFFFAOYSA-N 302.357 1.603 0 40 DDAB Cc1ccc2oc(=O)n(CC(=O)NCCn3ccc(C)n3)c2c1 12199011 SLWXXOKQFPLISN-UHFFFAOYSA-N 314.345 1.224 0 40 DDAB C[C@H]1N(C(=O)N(C)C)[C@H](C)CN1S(=O)(=O)c1ccccc1 13856283 CRCKRKPDERMSOO-VXGBXAGGSA-N 311.407 1.409 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1nc(C)c(F)c(=O)[nH]1 19579347 PPJQYCMWSZXUPW-SECBINFHSA-N 322.365 1.960 0 40 DDAB COC(=O)[C@H](Cc1c[nH]c(SC)n1)NC(=O)OC(C)(C)C 167418856 QUXXZAAQARJYHF-VIFPVBQESA-N 315.395 1.740 0 40 DDAB CCCN(Cc1ccc(COC)o1)C[C@@H]1COC[C@@H](O)[C@H]1O 643586086 YBIMRORBDKOMGX-WQVCFCJDSA-N 313.394 1.006 0 40 DDAB COc1cc(OC)nc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)n1 1889084145 JKKQOOHESKVXQI-VXGBXAGGSA-N 304.394 1.414 0 40 DDAB CCCC(=O)NC1CCN(C(=O)c2snnc2CC)CC1 36391812 TYISFOKLWNUXBR-UHFFFAOYSA-N 310.423 1.621 0 40 DDAB O=C1NC[C@@H](c2ccccc2)C12CCN(Cc1cn[nH]c1)CC2 1203090104 HZCYHRDWFHCUHM-INIZCTEOSA-N 310.401 1.906 0 40 DDAB Cc1ncoc1C(=O)N[C@@H]1CCc2onc(CN(C)C)c2C1 2055732569 OXVXUKOGOBPZAK-SNVBAGLBSA-N 304.350 1.320 0 40 DDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(Cc2ccco2)C1 2055772425 HRFPDHDCDGNRSS-MRXNPFEDSA-N 302.378 1.556 0 40 DDAB CO[C@H]1CO[C@@]2(CCN(C(=O)Cc3noc4ccccc34)C2)C1 2055835199 GMLWINMZWQOJHS-PXAZEXFGSA-N 316.357 1.777 0 40 DDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1cccc(N(C)C)c1 575617210 QZSNNFGJYXMDGI-OAHLLOKOSA-N 301.394 1.799 0 40 DDAB COCCN(CC(=O)N(C)C)Cc1noc(-c2ccsc2)n1 40127629 KFMVJULAPNZXJU-UHFFFAOYSA-N 324.406 1.335 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2COCCO2)c(OC)c1 30684332 MULJWUJTMVYWKE-HOCLYGCPSA-N 321.373 1.783 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1 189722 HTKMBGILVAXNDQ-UHFFFAOYSA-N 321.310 1.884 0 40 DDAB O=C(CSc1nncn1-c1cccnc1)N1CCCCC1 420900 HEASYUJFSRKUDO-UHFFFAOYSA-N 303.391 1.767 0 40 DDAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(N)=O 490432 WSPDFLABOCRVRX-FHLIZLRMSA-N 318.417 1.849 0 40 DDAB biogenic CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCCC1=O 40476665 GXNUNDZNEBPWPC-UHFFFAOYSA-N 304.346 1.386 0 40 DDAB CNC(=O)NC(=O)CSc1nncn1-c1cc(C)ccc1C 7319492 WDOZCSCOAGTJQB-UHFFFAOYSA-N 319.390 1.432 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccncc1 45673156 GODRTWXDKWPMQD-GXTWGEPZSA-N 323.418 1.363 0 40 DDAB O=C1c2ccccc2[C@](O)(C(=O)O)[C@]1(O)CC=C(Cl)Cl 1570269 OOVCCRDLVFBHOI-STQMWFEESA-N 317.124 1.595 0 40 DDAB CCOC(=O)N1C=C[C@H]2[C@H]([C@@H]2CC(=O)OC)N1C(=O)OCC 1720393 CZCLSKFSHRSIQZ-CKYFFXLPSA-N 312.322 1.523 0 40 DDAB COc1cc(CO)ccc1Oc1nc2ccccc2n2nnnc12 2332096 UOBZZGIMWJIIPK-UHFFFAOYSA-N 323.312 1.966 0 40 DDAB Cc1ccc(P(=O)(N2CCOCC2)N2CCOCC2)o1 3215017 BETONBDZHDFRNF-UHFFFAOYSA-N 300.295 1.071 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1Cn1cccn1 69926646 BUKDRKKJERJZCA-CYBMUJFWSA-N 310.361 1.319 0 40 DDAB COc1cccc(-c2cc(O)n([C@@H]3CCS(=O)(=O)C3)n2)c1 101449775 RXPNQAODLJUVOF-LLVKDONJSA-N 308.359 1.624 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1ccnc(N2CCOCC2)c1 29344871 URMZLTAMPWUARD-HNNXBMFYSA-N 319.405 1.494 0 40 DDAB Cc1ccc(SCCC(=O)N[C@H](CC(=O)O)C(=O)O)cc1 8762459 IRHYXNUWALAQMK-LLVKDONJSA-N 311.359 1.521 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N(C)c2ccccc2)on1 32929832 KFKNBLUEHBOWLG-GFCCVEGCSA-N 322.386 1.949 0 40 DDAB O=C(CNC(=O)c1ccc(F)cc1F)Nc1ncccc1O 22276397 XBRBIQGBMCPHHI-UHFFFAOYSA-N 307.256 1.434 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(c2ncnc3sccc23)CC1 22343489 ARCAUIMWOVHHJZ-LBPRGKRZSA-N 318.402 1.519 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940968 GNCYSIVOIVRWQB-GHMZBOCLSA-N 316.398 1.895 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)Nc1cccnc1 42105274 AQOLDTWXVJVLQA-UHFFFAOYSA-N 321.340 1.717 0 40 DDAB C[C@H](NC(=O)NCCCCN1CCC[C@@H](C)C1)c1nncn1C 46752113 BARNGQYEVHVKLE-KGLIPLIRSA-N 322.457 1.687 0 40 DDAB CN1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1 28615329 MJZMGQPVNPDMHF-UHFFFAOYSA-N 308.363 1.196 0 40 DDAB CC(C)OC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 958773 BNFPTXGYVLUWDW-VIFPVBQESA-N 321.402 1.929 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)N1 69873135 AZDOADMNXWFDEH-NEPJUHHUSA-N 302.330 1.357 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@@H]1COc2ccccc2C1 43508920 KDBHRYOBJLXMKI-NHYWBVRUSA-N 307.371 1.314 0 40 DDAB CCOC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OCc1ccccc1 107271330 VKQHKWOWPHSNGA-KBPBESRZSA-N 307.346 1.712 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)[C@H]1CO 107540113 JDMFVJDXOOBEKU-SKDRFNHKSA-N 305.346 1.746 0 40 DDAB CCS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 43953331 ARLPGBWBWBLVHV-GFCCVEGCSA-N 312.391 1.781 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1cnc2c(cnn2C(C)C)c1 27022770 FRFPKAXTFGUKNM-LBPRGKRZSA-N 318.381 1.644 0 40 DDAB CCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2093683 WYQWCCJBWCSFIJ-NSHDSACASA-N 314.407 1.376 0 40 DDAB CN(CCOc1ccccc1F)Cc1nc(N)nc(N(C)C)n1 27374092 JFCGTDYMTWRXEY-UHFFFAOYSA-N 320.372 1.170 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)NCc1nc2ccccc2n1CC 58247134 AYHQJLAYGYYJJI-GFCCVEGCSA-N 316.405 1.835 0 40 DDAB O=C(NCCCCN1CCOCC1)c1cc(-c2ccco2)on1 44952660 RFYWOGYRXQAUDV-UHFFFAOYSA-N 319.361 1.777 0 40 DDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)Cc1ccccc1 44936353 RFZWQYNZWSOVDC-UHFFFAOYSA-N 322.386 1.816 0 40 DDAB C[C@H](OCC1CC1)C(=O)NCCNC(=O)Cc1ccccc1 58380175 CCAMFZIXNSLHOD-ZDUSSCGKSA-N 304.390 1.277 0 40 DDAB COc1ccc(C2(C(=O)NCc3nncn3C)CCCC2)cc1 58355844 QCPXOJYHHFJUCH-UHFFFAOYSA-N 314.389 1.952 0 40 DDAB O=c1[nH]ncc(NCc2cccnc2N2CCOCC2)c1Cl 45026570 QISJMHBHAMPGHM-UHFFFAOYSA-N 321.768 1.267 0 40 DDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 3448554 LUCHOYLZGZGVIS-UHFFFAOYSA-N 319.342 1.159 0 40 DDAB CCCCNC(=O)CSc1nnc(-c2cccnc2)n1C 7784294 LKIYPSBSEZUNPA-UHFFFAOYSA-N 305.407 1.886 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nccnc2N)c1C 3567969 WKMNEKPARDTRCA-UHFFFAOYSA-N 316.317 1.246 0 40 DDAB CCc1ccc([C@@H](C)NC[C@H]2CCCN2S(C)(=O)=O)o1 90799229 JJZXHTJGBFKMQV-VXGBXAGGSA-N 300.424 1.917 0 40 DDAB COc1cc2nc(N3CCC[C@H](O)C3)nc(N)c2cc1OC 68427746 KPAJJUIJMOPZIW-VIFPVBQESA-N 304.350 1.190 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cccc(OC)c1 13536127 PZYQDWWXWZIUSI-HIFRSBDPSA-N 307.346 1.706 0 40 DDAB O=C(CCC(=O)N1CCOCC1)N[C@H]1CCCc2ccccc21 8084151 UNECMKAVELCWMH-INIZCTEOSA-N 316.401 1.819 0 40 DDAB COCCN(CC(=O)O)C(=O)c1cc(Cl)c2c(c1)OCO2 49606695 OGURNLCKXCPFIX-UHFFFAOYSA-N 315.709 1.242 0 40 DDAB O=C(C[C@@H]1N=C(N2CCCCC2)NC1=O)Nc1ccccc1 13729990 LEUFZSJWEHQXAA-ZDUSSCGKSA-N 300.362 1.356 0 40 DDAB O=C(CCn1cccn1)N1CCN(Cc2ccsc2)CC1 65390756 FRFRKZFQSGIUNL-UHFFFAOYSA-N 304.419 1.679 0 40 DDAB O=C(Cn1nnc2ccccc21)NC[C@H]1COc2ccccc2C1 65552178 PWEMETHODWFTTR-ZDUSSCGKSA-N 322.368 1.799 0 40 DDAB NC(=O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 65605477 CTKQMQITQCSPPH-NSHDSACASA-N 307.152 1.991 0 40 DDAB O=C([C@H]1COc2ccccc2C1)N1CCN(c2ncccn2)CC1 16960870 PHWXGLTUNRNYEP-OAHLLOKOSA-N 324.384 1.377 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2F)CC1 69627633 BVGWDZBFVOJRJF-IAGOWNOFSA-N 324.440 1.884 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 69627617 IIYYRLGDSLOROP-HOTGVXAUSA-N 319.449 1.238 0 40 DDAB C[C@@H](COCC(F)(F)F)NC(=O)c1cccnc1N(C)C 67276968 HFAHYLUSYATUTC-VIFPVBQESA-N 305.300 1.845 0 40 DDAB CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 17744620 JDFHLQUYAGDRJD-UHFFFAOYSA-N 317.798 1.449 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1cncc(F)c1)C2 90168637 DKVIZRBZXHYXJY-LLVKDONJSA-N 310.354 1.019 0 40 DDAB c1cnnc(N2CCC[C@H](NCc3nc(C4CC4)no3)C2)c1 69737975 RZUZXHUAXTWGBX-LBPRGKRZSA-N 300.366 1.496 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 71865445 CSHBBCYSXPOQDA-UONOGXRCSA-N 304.394 1.160 0 40 DDAB COCCn1cc(NC(=O)NC[C@H](CC(C)C)N(C)C)cn1 71804879 QKZCHQOBOPYNGF-AWEZNQCLSA-N 311.430 1.627 0 40 DDAB Cc1csc(=O)n1CCN(C)CC(=O)Nc1ccc(F)cc1 9051519 ZFTWTGUKNBHRIC-UHFFFAOYSA-N 323.393 1.928 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2Cn2cc(C)cn2)n1 71876037 LRMOZOZRRFWVHH-CYBMUJFWSA-N 305.382 1.428 0 40 DDAB O=C(O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O 19946649 SCXQJPOKBJMQES-UHFFFAOYSA-N 311.091 1.399 0 40 DDAB CCN1CCN(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 19902737 RCMZYRDQHKAVHQ-UHFFFAOYSA-N 319.405 1.424 0 40 DDAB COC(=O)c1ccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1 83895779 GQIHPRLSMNHJGX-CYBMUJFWSA-N 314.345 1.875 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@H](C)Cn2cccn2)c(=O)[nH]1 75122231 HJKGDGKYMYYPAB-NSHDSACASA-N 317.393 1.324 0 40 DDAB CCOC(=O)CN(C(=O)Cc1cnn(C)c1)C1CCCCC1 96412042 HRGIMONPIAAICH-UHFFFAOYSA-N 307.394 1.687 0 40 DDAB COc1ccccc1CN(CCO)c1cc(Cl)nc(N)n1 83980138 GFIURXQPUNVPTN-UHFFFAOYSA-N 308.769 1.720 0 40 DDAB Cn1cc(CCCN2CCN(Cc3cccc(O)c3)CC2)cn1 89755625 GMVWPNXEVAHVLI-UHFFFAOYSA-N 314.433 1.876 0 40 DDAB COCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1 84111389 KQYVFXOCZPLOGV-LBPRGKRZSA-N 305.382 1.670 0 40 DDAB COCc1ccc(C(=O)N[C@H](C)CCN2CCOCC2)cc1 72283827 FTBVLQMDLMQUIO-CQSZACIVSA-N 306.406 1.674 0 40 DDAB CN(C)C1(CNC(=O)CN2CCCCCC2=O)CCCCC1 72273121 DQEQZPVAMBEXTM-UHFFFAOYSA-N 309.454 1.770 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)Nc2nnc(C)s2)c1 72269805 DKNFJOLRKWVUTA-ZJUUUORDSA-N 308.411 1.529 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)no1 72232134 ZMSCKKIZHHEDSF-NEPJUHHUSA-N 309.366 1.314 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1COc3ccccc3C1)C2 72278948 NAYYVJBQIIPLAZ-LSDHHAIUSA-N 311.385 1.874 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N1CCCC2(CCCCCC2)C1 76089197 UTGFNFOWSNZVLZ-ZDUSSCGKSA-N 316.467 1.887 0 40 DDAB C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1N1CCOCC1 76054363 KXHIFUJXWUWRTL-IUODEOHRSA-N 316.405 1.147 0 40 DDAB CNC(=O)NC(=O)CN1CC[C@H](C)N(Cc2ccccc2)CC1 76120004 BECXOCREUIFZLR-AWEZNQCLSA-N 318.421 1.038 0 40 DDAB CCCn1cc(NC(=O)Nc2ccccc2CC(N)=O)cn1 72306977 FEOXJSINOIFPOP-UHFFFAOYSA-N 301.350 1.965 0 40 DDAB COC(=O)c1ccc(NC(=O)Cn2cc(Cl)ccc2=O)cc1 94986192 RJVNEIKXNDXVDW-UHFFFAOYSA-N 320.732 1.927 0 40 DDAB O=C(Nc1nc2ccc(Cl)cn2n1)N[C@@H]1CCCC[C@@H]1O 97376549 BATHESSSORAZOH-ZJUUUORDSA-N 309.757 1.808 0 40 DDAB CC(C)COC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 84544391 MQCPBTLMDVZDTI-UHFFFAOYSA-N 301.412 1.246 0 40 DDAB Cc1cc(C(=O)N2CCCC2)ccc1N1CCCS1(=O)=O 95397992 JEIZZXILTJIPGH-UHFFFAOYSA-N 308.403 1.771 0 40 DDAB CCc1n[nH]c([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 78892694 AKTPJMSFUBCAFY-JTQLQIEISA-N 304.354 1.201 0 40 DDAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CCNC(=O)N(C)C)c1 95456025 NWXHFRKIKDSQHQ-AWEZNQCLSA-N 320.437 1.833 0 40 DDAB CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cc2ccccc2o1 95462104 SPVNKEKJCFPQTK-JTQLQIEISA-N 323.292 1.977 0 40 DDAB O=C(NCCC1=CCOCC1)N[C@@H]1c2ccccc2C[C@H]1O 95437049 RCTOZJPVNSCNQJ-HZPDHXFCSA-N 302.374 1.681 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c(Cl)c1 95432920 AUAROIHLBYMPHL-VIFPVBQESA-N 317.716 1.850 0 40 DDAB O=C1O[C@@H]2C[C@H]1N(C(=O)c1ccc(OC(F)(F)F)cc1)C2 75162499 SVKOJCVKVJDXHC-NXEZZACHSA-N 301.220 1.725 0 40 DDAB CC(=O)N1CCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 72379291 UXVGRHQUFCCHTG-LBPRGKRZSA-N 301.350 1.115 0 40 DDAB COCCNc1cc([C@@H]2CCN2Cc2cnn(C)c2)nc(C)n1 72387493 LZCHXHIQIQNYNN-HNNXBMFYSA-N 316.409 1.524 0 40 DDAB COC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 79051399 YXGPLCUEAWMXIS-QWRGUYRKSA-N 322.327 1.282 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@@H](N(C)C(=O)OCc2ccccc2)C1 79412774 IHYFHZVQFKSFPY-DZGCQCFKSA-N 319.405 1.593 0 40 DDAB O=S1(=O)C[C@H](O)[C@@H](NC(c2ccccc2)c2ccccc2)C1 315062899 HLCRVCWRHVDLJR-HOTGVXAUSA-N 317.410 1.524 0 40 DDAB Cc1cc(-c2ccc(C(=O)N3CCOCC3)s2)c[nH]c1=O 72243018 AQLWKGWXLHTDPA-UHFFFAOYSA-N 304.371 1.884 0 40 DDAB NCC(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 72360870 UGZYKFDXFSPFRG-GFCCVEGCSA-N 312.377 1.280 0 40 DDAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C 188335057 ZENSBFDYQYJKHE-GWCFXTLKSA-N 318.826 1.908 0 40 DDAB CC(C)N1CCN(CCCN2CC[C@](O)(C(F)(F)F)C2)CC1 192754167 KCTMBDGGYQRLOO-CQSZACIVSA-N 323.403 1.402 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 131394731 RXKFAWGRUMSAKC-JTQLQIEISA-N 323.340 1.618 0 40 DDAB O=C(NCCCO)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 195560336 USGMFVJNHAVBGU-YESZJQIVSA-N 317.433 1.579 0 40 DDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cc2cccs2)n[nH]1 225554143 OLVDUFYOBKIBKZ-ZDUSSCGKSA-N 318.402 1.866 0 40 DDAB C[C@]1(C(N)=O)CCCCN1Cc1ccc(N2CCCC2)nc1 195562151 RYOIOIJXXPWCHB-QGZVFWFLSA-N 302.422 1.912 0 40 DDAB C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@H]1CO 225510012 UDUMQPDMELFSDM-MXWKQRLJSA-N 309.332 1.035 0 40 DDAB CC(C)C(=O)Nc1cc(C(=O)NCCCn2cccn2)nn1C 46088987 BUPJYGRAFJGFKN-UHFFFAOYSA-N 318.381 1.031 0 40 DDAB CCOCCNC(=O)c1snnc1-c1ccc(OC)cc1 41105513 GWUOUGJXKGJKDU-UHFFFAOYSA-N 307.375 1.980 0 40 DDAB Cc1cc2n(CCNC(=O)c3c(C)nn(C)c3C)ccn2n1 225579438 TWFLBKSZSNHCRW-UHFFFAOYSA-N 300.366 1.225 0 40 DDAB CN(C)C(=O)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96052200 HJZVVKONLMDVIM-ZDUSSCGKSA-N 309.410 1.019 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1 96208694 WGBTXRGILPSHCO-TZMCWYRMSA-N 302.440 1.102 0 40 DDAB O=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(=O)[nH]c1 96432831 RNEIEMZSTQILDT-UHFFFAOYSA-N 317.292 1.823 0 40 DDAB COC(=O)C1(NCC(=O)N2CCC[C@H](C(F)(F)F)C2)CCC1 97373715 ZYTXPUVIOWPDNW-JTQLQIEISA-N 322.327 1.473 0 40 DDAB Cc1cc(F)cc(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)c1 93020536 QLROHEYEOOEWHK-UHFFFAOYSA-N 314.382 1.553 0 40 DDAB O=C([C@H]1CN(Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCC1 97953630 OCEBMHAIAYLOBF-YESZJQIVSA-N 315.417 1.541 0 40 DDAB C[C@H]1CN(Cc2ccncc2)C[C@@]12CCN(CCN(C)C)C2=O 96070283 QQLMISMZWRPUIC-YJBOKZPZSA-N 316.449 1.314 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1ccc(-n3cncn3)cc1)CC2 97199417 OPTPPKBJYMICDX-AWEZNQCLSA-N 309.377 1.272 0 40 DDAB C[C@@](Br)([C@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521222 XINQKLGZTGJKMZ-ZJUUUORDSA-N 308.197 1.458 0 40 DDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCc3ccccc31)CC2 238815799 BLBFXXNTRTZDKR-ZDUSSCGKSA-N 309.369 1.475 0 40 DDAB CCS(=O)(=O)c1ccc(CNC(=O)Cc2ccn[nH]2)cc1 96495264 PHANGZNBBCJIGH-UHFFFAOYSA-N 307.375 1.062 0 40 DDAB CC(C)C(=O)N[C@@H]1COC2(CCN(Cc3cccnc3)CC2)C1 96224825 LJLYKAFCTUZAQI-INIZCTEOSA-N 317.433 1.977 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)no1 97203907 XBDDMCMGXJABBK-SNVBAGLBSA-N 308.363 1.452 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1CN 242437284 BWGKWIMXFIPLAY-QJPTWQEYSA-N 318.236 1.925 0 40 DDAB Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21 624498071 RUJPRPDKANMAPT-UHFFFAOYSA-N 322.416 1.728 0 40 DDAB CC(C)c1cc(C(=O)N2CCO[C@@H](c3cnccn3)C2)on1 257277026 NWDMPVRPCCLKCU-CQSZACIVSA-N 302.334 1.802 0 40 DDAB CCc1nccn1CCC(=O)N1CC[C@@]2(CCCO2)[C@@H](OC)C1 257232180 GJSTVDMXFGEXBG-YOEHRIQHSA-N 321.421 1.632 0 40 DDAB Cc1ncsc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257279928 OITNOFZATVQZIG-CHWSQXEVSA-N 322.361 1.855 0 40 DDAB O=C(c1cnccn1)N1CCC[C@@H](c2ccnc3nccn23)C1 257296979 RFFRRQSHOZCOOK-GFCCVEGCSA-N 308.345 1.539 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cccnc2Cl)C1 257312227 UMYBEVXQLHXOBQ-LLVKDONJSA-N 317.842 1.796 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 257322045 WEJDTCCEMVKVBR-CQSZACIVSA-N 311.407 1.204 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]21 257264080 LSVGRKXIEUPYFB-VNHYZAJKSA-N 324.388 1.254 0 40 DDAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccnn2C)nc1 257298588 RMJUPBRMCMQIJU-HNNXBMFYSA-N 313.405 1.854 0 40 DDAB CNc1ccc(C(=O)N[C@@H](CO)c2c(F)cccc2F)cn1 569994875 TWNZFXHYZGRDSM-LBPRGKRZSA-N 307.300 1.865 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccco2)Cc2cccn2C1 585099218 VUQZWXRBVHJZSU-ZDUSSCGKSA-N 315.373 1.418 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N[C@]1(C(=O)O)CCc2ccccc21 671666924 KGRCUCKEQJQYMH-QGZVFWFLSA-N 313.357 1.693 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CCc2ccccc21 53477286 NECQPZWVDWMZKI-HNNXBMFYSA-N 320.352 1.595 0 40 DDAB COCCn1cc(NC(=O)N[C@@H](C)Cc2ccc(O)cc2)cn1 55083701 XBLDUIKJUHCTAA-LBPRGKRZSA-N 318.377 1.988 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 78889680 URVSIJXUYDAMTQ-GFCCVEGCSA-N 318.381 1.115 0 40 DDAB O=C(NCC1CCC2(CC1)OCCO2)c1[nH]nc2c1CCCC2 96446856 JCQHAWNFAZQFSF-UHFFFAOYSA-N 319.405 1.952 0 40 DDAB COc1ccc(OC)c(NC(=O)CSc2nccc(=O)[nH]2)c1 5009363 MFAGFHRUCQTDJJ-UHFFFAOYSA-N 321.358 1.518 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCn2ncccc2=O)c(C)c1 11856343 MWYDXUDWKLXWRM-UHFFFAOYSA-N 321.402 1.147 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CC2)c1C 15586948 GJTBHRFEAPPUNZ-UHFFFAOYSA-N 324.446 1.867 0 40 DDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 15652757 WWMAIHZCGDWCMC-LLVKDONJSA-N 316.398 1.751 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(OC)c2)c1 16505767 WVJUJPPWUMBRND-UHFFFAOYSA-N 320.370 1.856 0 40 DDAB O=C(CSc1nncn1-c1ccccc1)Nc1nc[nH]n1 19849875 CFKAGFHMPKLMHA-UHFFFAOYSA-N 301.335 1.116 0 40 DDAB CCCS(=O)(=O)NCc1nnnn1-c1ccc(C)c(C)c1 9571076 FORQQWOCNURSAO-UHFFFAOYSA-N 309.395 1.109 0 40 DDAB O=C(NC1CN(c2cnccn2)C1)c1ccc2nccnc2c1 1888888417 WVBJHCDSDMQGDR-UHFFFAOYSA-N 306.329 1.038 0 40 DDAB NC(=O)c1cc(OC2CN(c3ccc4ccccc4n3)C2)ccn1 1889201656 KOJSFXGBALYWSB-UHFFFAOYSA-N 320.352 1.996 0 40 DDAB O=C(COCc1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 1848957586 OUTWEIHQYOVTKH-QGZVFWFLSA-N 318.417 1.526 0 40 DDAB Cc1nc2c(c(N3CCC(N(C)S(C)(=O)=O)CC3)n1)CCC2 1166921901 OMYDHKMMEZCREN-UHFFFAOYSA-N 324.450 1.134 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@H](O)[C@@]2(C)C12CC2 2060990617 JEEMXIZVKNXKNM-ICELYOSQSA-N 322.401 1.565 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1c(C)nc2ccccn12 1614937288 MKFGHUZOJLZPFP-WOSRLPQWSA-N 315.373 1.661 0 40 DDAB C[C@@H]1NC(=O)COC12CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 1565551900 WZLVSNLSLZVZEH-BBRMVZONSA-N 306.406 1.629 0 40 DDAB O=C(N1CCCC1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 2055835628 YLDKOICQTSWXTQ-OAHLLOKOSA-N 307.438 1.922 0 40 DDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(C(=O)C3CC3)C2)C1 2055839516 AGTZGZOBMYSMQK-PBHICJAKSA-N 316.405 1.473 0 40 DDAB COc1cc(C(=O)N2CC(n3nccn3)C2)cc(OC)c1OC 1775975258 DZKZKZBDMHCAFG-UHFFFAOYSA-N 318.333 1.001 0 40 DDAB O=C(C1CCN(Cc2ccncc2)CC1)N1CCSCC1 2298187938 CTWRRVVHIBUFJO-UHFFFAOYSA-N 305.447 1.869 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCC2)cc1 5148 ZZZXGWHCPXRYMR-OAHLLOKOSA-N 322.430 1.771 0 40 DDAB Cc1cccc(N2C(=O)c3sc4nccc(=O)n4c3C2=O)c1 55815 FSMVYXDYCYALDS-UHFFFAOYSA-N 311.322 1.865 0 40 DDAB Cc1nc(-c2cc(-c3nn(CC(=O)O)c(=O)o3)no2)cs1 40448176 UQJJYZZFCKPRPD-UHFFFAOYSA-N 308.275 1.008 0 40 DDAB Cc1nccn1-c1ccc(NC(=O)c2nc3ncccn3n2)cc1 36618684 FYVOLOKCQFSPCD-UHFFFAOYSA-N 319.328 1.871 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cncn2)C1 70020966 DHHMOUVDKKROJN-JQWIXIFHSA-N 304.354 1.001 0 40 DDAB COCCOc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1 45743411 GHBIFIOTTJVSQG-LBPRGKRZSA-N 315.391 1.027 0 40 DDAB COc1cccc(CN2CCN(Cc3nccn3C)CC2)c1 69348432 AHFKQYNZTHPDAD-UHFFFAOYSA-N 300.406 1.747 0 40 DDAB COC[C@H](C)NC(=O)CCCn1c(C)nc2ccccc2c1=O 40506117 RPDNEWRIRIIXAH-LBPRGKRZSA-N 317.389 1.636 0 40 DDAB NC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1F 40513848 HEMPTDGVGRQFRM-GWCFXTLKSA-N 309.341 1.220 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cn1 69348959 RSQFHSUMYDHXPJ-CYBMUJFWSA-N 305.403 1.526 0 40 DDAB Cc1cn2c(=O)c(C(=O)Nc3c(C)c(C)nn3C)cnc2s1 91443169 VOXXFWZFGCGJKQ-UHFFFAOYSA-N 317.374 1.667 0 40 DDAB CCCC[C@]1(C(=O)OCC)C[C@@H](CSC(=N)N)OC1=O 6072826 VBPUCZORUYLSTE-TVQRCGJNSA-N 302.396 1.668 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 7655466 CFAKMWKKUOCHFS-LPWJVIDDSA-N 311.378 1.747 0 40 DDAB Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCNC1 52093364 SWTJGLQNWLKWKO-JTQLQIEISA-N 319.224 1.398 0 40 DDAB CN(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cn1 21143761 YUJXLLAVXUQGPO-AWEZNQCLSA-N 311.341 1.868 0 40 DDAB Cc1ccc2c(CC(=O)NCCNS(C)(=O)=O)coc2c1C 29678131 MLCPHLRJYFUDPC-UHFFFAOYSA-N 324.402 1.258 0 40 DDAB COCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 32821048 MDSQKXNNPYCDCC-UHFFFAOYSA-N 300.380 1.139 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)cc(OC)c1 494029 CRYDVIGPOZOBFB-ZDUSSCGKSA-N 306.318 1.505 0 40 DDAB O=C(N[C@@H]1CN(C[C@@H]2CCOC2)[C@@H]2COC[C@H]12)c1ccsc1 107201407 HLKCHJORFLCWNJ-ZGKBOVNRSA-N 322.430 1.214 0 40 DDAB COc1ccccc1Nn1ccc2c(cnc3ncnn32)c1=O 9290502 XVXRKBOBDDREKN-UHFFFAOYSA-N 308.301 1.323 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@@H]2CCN3CCCC[C@H]23)n1 47264356 MZBUCAUZQRJDOM-ZIAGYGMSSA-N 320.462 1.929 0 40 DDAB Cc1ccc(C(=O)NC2(c3noc(C)n3)CCCC2)c(=O)[nH]1 75118254 NMVWKFOVDFBJJI-UHFFFAOYSA-N 302.334 1.574 0 40 DDAB O=C1CC[C@@H](C(=O)NCCc2ccccc2Br)N1 61557663 SEEVVIQZCCRSOE-NSHDSACASA-N 311.179 1.386 0 40 DDAB CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1=O 42027265 PMXSWDXSHXLUDI-CYBMUJFWSA-N 319.336 1.383 0 40 DDAB CN1CCCC[C@H]1CCN1CCN(C(=O)c2ccoc2)CC1 75110927 MWTRLJSYNBWLFC-INIZCTEOSA-N 305.422 1.912 0 40 DDAB Nc1nccnc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 23101005 RQVVNOYFNXYUIM-CYBMUJFWSA-N 314.345 1.869 0 40 DDAB O=C(O)CCC(=O)N1CCN(CC2CC2)c2ncccc2C1 107271423 JNSPDYITLYWJDL-UHFFFAOYSA-N 303.362 1.505 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 12557603 FITXXAKSHCHNGJ-DOMZBBRYSA-N 312.373 1.605 0 40 DDAB O=C(O)CN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(F)cc1 89780947 BYDGXPDQWNDJDL-GPAKFWEMSA-N 307.321 1.931 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 23886875 OKWMSVQWDDBRLT-OAHLLOKOSA-N 322.430 1.928 0 40 DDAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC[C@H]1CCCO1 3273664 JXJLDQHXARGSBT-SNVBAGLBSA-N 312.753 1.374 0 40 DDAB COC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1 57484810 SIDCSGXPQFIOPH-UHFFFAOYSA-N 312.391 1.337 0 40 DDAB CN(Cc1cnn(C)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 26875549 FWSPCGLWUDHOMM-UHFFFAOYSA-N 317.780 1.942 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 3308061 QUWIEIFFNAJQRK-ZDUSSCGKSA-N 311.359 1.517 0 40 DDAB CC(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 3361486 VZOCUPIQLDCEBY-UHFFFAOYSA-N 318.826 1.976 0 40 DDAB C[C@@H](CNC(=O)CN1CCOCC1)c1nc2ccccc2s1 48368980 YEHHBWUBBVBCCA-LBPRGKRZSA-N 319.430 1.848 0 40 DDAB CN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 12890827 XZLKXVXYQKPZCO-LBPRGKRZSA-N 306.387 1.356 0 40 DDAB Cc1nc2ncnn2c(C)c1CC(=O)NCc1ccc(F)cc1 12883349 XCZRZOXKOALUAD-UHFFFAOYSA-N 313.336 1.739 0 40 DDAB NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(O)CC1 69563635 LLUOEGBRISEEQY-GFCCVEGCSA-N 313.195 1.432 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)N[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 69511597 PRKLZYWQHWAHIN-XQLPTFJDSA-N 308.426 1.414 0 40 DDAB Cc1nnc2ccc(NC[C@H]3CCCN(c4ncccn4)C3)nn12 91687613 DTNWBAYXYZKKHO-CYBMUJFWSA-N 324.392 1.551 0 40 DDAB COc1ccc(S(=O)(=O)NCc2nnc3ccccn23)cc1 8515393 NSXQASUMPNKMFO-UHFFFAOYSA-N 318.358 1.216 0 40 DDAB O=S(=O)(NCCc1ccccn1)c1ccc2c(c1)OCCO2 6086126 AYZJQMJKPDHJEH-UHFFFAOYSA-N 320.370 1.374 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)CCN1C(=O)c2ccccc2C1=O 69662725 CKKZBKJSEBUGEH-KBPBESRZSA-N 317.341 1.783 0 40 DDAB Cc1ccc2c(c1)NN=C(C(=O)N1CCC(C)CC1)S2(=O)=O 65183406 VVHXUYINSXFQOS-UHFFFAOYSA-N 321.402 1.766 0 40 DDAB NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 6276510 XORNCALMWIOLEC-UHFFFAOYSA-N 301.312 1.703 0 40 DDAB CC(=O)N(C)C1CCN(Cc2nc(N)c3ccccc3n2)CC1 69704277 WVBJTSUAAYUGHP-UHFFFAOYSA-N 313.405 1.655 0 40 DDAB COc1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cn1 14099424 GWWCERPPAMKNTM-UHFFFAOYSA-N 320.370 1.771 0 40 DDAB C[C@@H](NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1)C1CC1 65565194 HVDGAWMPLWWNIA-LLVKDONJSA-N 312.373 1.564 0 40 DDAB CCOc1cccc(C(=O)NC[C@H]2CCN(CCOC)C2)c1 65588757 SBAIJQXRFZVHCA-CQSZACIVSA-N 306.406 1.783 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](CN(C)C)C1 69739338 JUUQRFHBBFIJLZ-HIFRSBDPSA-N 321.421 1.444 0 40 DDAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 5433409 GZMDFKKLXHSWDH-PRRDBKRISA-N 313.309 1.608 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1 14270983 WEFFZLDWPLUGDF-UHFFFAOYSA-N 324.384 1.303 0 40 DDAB CC(C)COc1cccc(C(=O)OCC(=O)N2CCNC2=O)c1 7294832 MFZMMORNBCVHSR-UHFFFAOYSA-N 320.345 1.430 0 40 DDAB COc1cc(NC(=O)CSc2nnc(C)n2C)cc(OC)c1 9145173 XRJLZLCHBRSGRP-UHFFFAOYSA-N 322.390 1.872 0 40 DDAB O=C(NCc1ccc(-c2nnn[nH]2)cc1)c1cccc(Cl)n1 96405458 AXEHKAFGODGJEW-UHFFFAOYSA-N 314.736 1.845 0 40 DDAB COCCNC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 71882529 FKHZJOORDFPKTE-UHFFFAOYSA-N 322.390 1.905 0 40 DDAB O=C(c1n[nH]c(O)n1)N1CCCN(CC2CCCCC2)CC1 71820065 HPNNVPYTKZKUPS-UHFFFAOYSA-N 307.398 1.239 0 40 DDAB Cc1cc(NC(=O)N2CCC(C(N)=O)CC2)n(C(C)(C)C)n1 71831243 LPNGJTXCKHPACV-UHFFFAOYSA-N 307.398 1.676 0 40 DDAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)N1CCOCC1 71925898 FJXKOTLMMXJRMY-CYBMUJFWSA-N 317.389 1.473 0 40 DDAB CC[C@H](COC)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 71915374 OHSGCIOMHWUGIY-LSDHHAIUSA-N 304.390 1.576 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Cn1cccn1 75602269 SZTKRIRMMUZSTQ-LLVKDONJSA-N 307.785 1.942 0 40 DDAB C[C@H]1CCCCN1C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 26496384 NYGATDJJWBGLPP-JTQLQIEISA-N 321.402 1.163 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@H](C)OC2=O)c1C 9835361 UGEPDDYVBSXORE-OIBJUYFYSA-N 309.318 1.669 0 40 DDAB CNC(=O)Cn1cnc(NC(=O)c2cc3ccccc3s2)n1 72296982 OOIRMCLUARCZRD-UHFFFAOYSA-N 315.358 1.491 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cc(Cl)ccn1 72283630 CFNHBGFBXRWKKW-UHFFFAOYSA-N 314.736 1.892 0 40 DDAB Cc1csc(CCNc2cc(N3CCC[C@@H]3CO)ncn2)n1 72276065 YHAAAHLBRNOPOW-GFCCVEGCSA-N 319.434 1.857 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3cscn3)CCO2)n1 76044841 SHLNTLPAXBAFPC-LLVKDONJSA-N 307.379 1.102 0 40 DDAB C[C@@H](CCc1cccc(F)c1)N(C)CC(=O)N1CCOCC1 97084246 CGYAMSWXELSSML-AWEZNQCLSA-N 308.397 1.937 0 40 DDAB NC(=O)N1CCC(Nc2cnn(-c3ccccc3F)c2)CC1 97035036 CKQURTYGRKVENY-UHFFFAOYSA-N 303.341 1.966 0 40 DDAB COC(=O)[C@H](CNC(=O)c1nccn2ccnc12)CC(C)C 72304227 CUKCWFFBZNKOIH-NSHDSACASA-N 304.350 1.294 0 40 DDAB COc1ccc(F)cc1CN1CCN(C[C@@H]2CCOC2)CC1 78436205 KCEYYFZGTHLAPU-AWEZNQCLSA-N 308.397 1.988 0 40 DDAB O=C(NC[C@@H]1CCOC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 78606534 MEZARCBQNKVECI-RYUDHWBXSA-N 306.337 1.331 0 40 DDAB CN(C)CCn1cc(NC(=O)NC[C@]2(C)CCCS2)cn1 84673485 GNZOEVSHGDLHQD-AWEZNQCLSA-N 311.455 1.852 0 40 DDAB C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CCN(C)C1=O 78932614 NHMXLMHTRYCNJL-SMDDNHRTSA-N 320.364 1.724 0 40 DDAB CC[C@@H](C)CS(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 84721699 DTJDXHNMXRUOGO-KGLIPLIRSA-N 304.456 1.016 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)Cc3cccc(F)c3)C2=O)cn1 98010421 IJPVWZDGWZOGAT-CQSZACIVSA-N 316.336 1.023 0 40 DDAB CO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 79102346 YKNQALQJPPSQBE-BPLDGKMQSA-N 302.374 1.723 0 40 DDAB O=S(=O)(NCCc1ccccn1)N1CCc2ccccc2C1 73879148 UZHVEBYCQHLZMI-UHFFFAOYSA-N 317.414 1.517 0 40 DDAB CC[C@H](C(=O)N1CCN([C@@H](C)c2ccccn2)CC1)N(C)C 95943418 SDLMMNAJJPNOFN-GOEBONIOSA-N 304.438 1.627 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCCN(Cc2c(C)noc2C)C1 95956244 MMDLKTOZBBEDQC-GFCCVEGCSA-N 301.412 1.195 0 40 DDAB CC(=O)N1C[C@@H]2c3nc(N(C)C)ncc3CN(CC3CC3)[C@@H]2C1 306123325 AKCHKVVHSBKJNA-LSDHHAIUSA-N 315.421 1.083 0 40 DDAB COc1ccc(C)cc1CC(=O)Nc1c[nH]nc1[C@@H]1CCNC1 1549744069 HYQLTQFPWJNAGZ-GFCCVEGCSA-N 314.389 1.985 0 40 DDAB Cc1nnccc1C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1 1550800463 AFPVKFPOZMSZDO-UHFFFAOYSA-N 310.357 1.689 0 40 DDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 32266526 UNZHQFGXDPQFTI-HNNXBMFYSA-N 318.398 1.322 0 40 DDAB OCCN1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 72361629 WSEATPCVDKQPQY-GFCCVEGCSA-N 300.366 1.182 0 40 DDAB N=c1[nH]nc(CCNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)o1 529113499 CIXIILAINYESMH-SNVBAGLBSA-N 324.287 1.241 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N(C)Cc1nnc2ccccn12 79761429 DZGFYIMTRWGLDT-SECBINFHSA-N 315.299 1.228 0 40 DDAB Cn1ccnc1-c1cnc(N2CCNC(=O)C2)nc1-c1ccco1 72340787 LEUAWHDBXASHJZ-UHFFFAOYSA-N 324.344 1.073 0 40 DDAB C[C@H](O)c1ccc(-c2ccc(CNCCNCCO)o2)cc1 38246121 NMICFYOCJZVKKH-ZDUSSCGKSA-N 304.390 1.671 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)cn1 78556580 HWECQFCRFCAWGJ-KBPBESRZSA-N 305.378 1.469 0 40 DDAB COC(=O)[C@H]1CCC(=O)N(Cc2ccc(OC)c(OC)c2)C1 218290811 MXUJKILGLNFJOV-LBPRGKRZSA-N 307.346 1.615 0 40 DDAB CN(CC(=O)NCc1cccnc1)Cc1nccn1C(F)F 77654727 XMRYWGDUMAGKMX-UHFFFAOYSA-N 309.320 1.421 0 40 DDAB COc1cc2nc(NC[C@H]3CCOC3)nc(N)c2cc1OC 78877861 AHCUDGDMFSWWOS-SECBINFHSA-N 304.350 1.678 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccncc3)n[nH]2)C1 72256033 ZSEAMSLFUKYALC-CYBMUJFWSA-N 313.361 1.669 0 40 DDAB Cc1cc(OCC(=O)N2CCO[C@H](C(=O)O)C2)ccc1Cl 49864820 MXFPAEBAVWAXDV-LBPRGKRZSA-N 313.737 1.339 0 40 DDAB CCc1nc(CN(C)C(=O)[C@@H]2CCc3nncn3C2)cs1 568962898 VMKMBUKHHAHYPG-SNVBAGLBSA-N 305.407 1.518 0 40 DDAB O=C1C[C@H](NC(=O)NC(c2ccccc2)c2ccccc2)CN1 75158320 FJYXBMBMCNYIJP-HNNXBMFYSA-N 309.369 1.964 0 40 DDAB CCCN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 49930714 FOAYXKASSVGEMM-UHFFFAOYSA-N 303.406 1.361 0 40 DDAB NC(=O)c1ccc(CNC[C@H]2COc3ccccc3O2)s1 89866454 PTGABKXDZSERMR-JTQLQIEISA-N 304.371 1.777 0 40 DDAB CC(C)c1ccc([C@H]2C[C@H]2NC(=O)Cn2ncn(C)c2=O)cc1 195553320 SMBYCEUMQHOEDY-HUUCEWRRSA-N 314.389 1.378 0 40 DDAB CN(C)S(=O)(=O)NCc1nccn1CCc1ccccc1 96499988 PWKPMYBZHYFTJY-UHFFFAOYSA-N 308.407 1.022 0 40 DDAB CC(C)OCCCNC(=O)C1CCN(c2ncc(F)cn2)CC1 96483225 SMHISOLKFHQYPP-UHFFFAOYSA-N 324.400 1.763 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 96227062 SJJBRNYLOHWXDP-PBHICJAKSA-N 316.405 1.528 0 40 DDAB CC(C)(C)NC(=O)CCN1CCN(Cc2cccc(O)c2)CC1 96452015 QDCJJPHXZBQHDM-UHFFFAOYSA-N 319.449 1.815 0 40 DDAB O=C(N1CCCC1)[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2 96038711 DTNGRQRDBWMEJN-SJLPKXTDSA-N 315.417 1.685 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]32)cc1F 96064661 SSEIXYJVLDPJDH-STQMWFEESA-N 312.366 1.176 0 40 DDAB O[C@H](CN1CCOCC1)Cn1ncnc1-c1ccccc1Cl 96435834 YITAGBWBVOBBOY-GFCCVEGCSA-N 322.796 1.292 0 40 DDAB Cn1ccc(CCNC(=O)COc2ccc(F)cc2Cl)n1 95940492 QELVLKJIOIBODI-UHFFFAOYSA-N 311.744 1.950 0 40 DDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ncc[nH]1 96444708 KZGDUFRAQUHIBN-OAHLLOKOSA-N 314.389 1.317 0 40 DDAB CN(C)C(=O)N1CCN(Cc2cccc(-n3cccn3)c2)CC1 96489718 IIKHBPGYJPNIGJ-UHFFFAOYSA-N 313.405 1.672 0 40 DDAB CN1C[C@H](NC(=O)N2CCc3c(F)cc(F)cc3C2)CCC1=O 96477165 HAEMGCWOFSWZRW-GFCCVEGCSA-N 323.343 1.653 0 40 DDAB O=S(=O)(c1cccnc1)N1CCNC[C@H]1c1ccccc1 257309660 UBWAXOILIGIGOV-HNNXBMFYSA-N 303.387 1.417 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257209689 BRMPYRXZDCXWRE-GFCCVEGCSA-N 323.422 1.095 0 40 DDAB O=C([C@H]1CCCOC1)N1CCC(c2ccnc3ccnn23)CC1 257295839 RACNLRNLIDIUOJ-AWEZNQCLSA-N 314.389 1.862 0 40 DDAB Cc1nccc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257343127 ZROWXUVAYCDUKE-AWEZNQCLSA-N 311.407 1.431 0 40 DDAB CC(C)C(=O)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 257324627 WPNGBZOQFWOPNK-KRWDZBQOSA-N 316.405 1.573 0 40 DDAB CC(C)Oc1cncc(C(=O)Nc2cnn(CC(=O)O)c2)c1 647743813 BSBZSWRSAZWROQ-UHFFFAOYSA-N 304.306 1.402 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@]2(CCCO2)C(=O)C1 585290063 ZLHZWMKBQWWXQS-QGZVFWFLSA-N 319.405 1.991 0 40 DDAB NC(=O)CC[C@@]1(O)CCCN(CCCOc2ccccc2F)C1 585276752 DMZGGTRIKLHZDN-KRWDZBQOSA-N 324.396 1.687 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2ccc(F)cc2Cl)[C@@H]1O 585286290 KFXAPPPJLLEYGG-HONMWMINSA-N 303.761 1.591 0 40 DDAB CC(C)CC(=O)N1Cc2cncn2[C@@H](C(=O)NCC2CC2)C1 585095719 FTISZABKWMAMFP-CQSZACIVSA-N 304.394 1.339 0 40 DDAB Cc1nc(C)c(CC(=O)NCCCOCc2ccco2)c(=O)[nH]1 44967090 PWQDQWOXVWETLM-UHFFFAOYSA-N 319.361 1.245 0 40 DDAB CCc1nnsc1C(=O)N[C@H](C)C(=O)NCc1ccccc1 55346434 FPPVSZGWTSAAKN-SNVBAGLBSA-N 318.402 1.535 0 40 DDAB C[C@@H](c1cccc(Cl)c1)N1CCN(S(C)(=O)=O)CC1 49332323 RUBXSMBGGDIKEA-NSHDSACASA-N 302.827 1.978 0 40 DDAB Cc1nc2n(c1C)CCN(C[C@@H](O)COCc1ccco1)C2 65452921 BYPICUSCWXCZPK-CQSZACIVSA-N 305.378 1.486 0 40 DDAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1nccn1C 65554588 RWBMCKFTLWRJCW-LBPRGKRZSA-N 321.402 1.386 0 40 DDAB Cc1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1 69368450 SDZZDYFPPBHQLA-SNVBAGLBSA-N 318.381 1.517 0 40 DDAB CC1(CNC(=O)NC[C@@]2(O)CCOC2)Cc2ccccc2C1 91936382 BKWDTBULRNFNIO-KRWDZBQOSA-N 304.390 1.242 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCCOCC2)cc1 79808999 YWMGVAICUHSNDR-MRXNPFEDSA-N 316.401 1.735 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCN(c2ccncc2Cl)CC1 89448697 YVWUBINONYNDPJ-LLVKDONJSA-N 308.813 1.524 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC(Oc2cnccn2)CC1 90678089 VUOAOCXHTICZMQ-UHFFFAOYSA-N 302.334 1.765 0 40 DDAB CN1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595736 KWGWDRISMDPVSQ-VYDXJSESSA-N 315.417 1.072 0 40 DDAB O=C(NC1CCC(O)CC1)c1cccnc1O[C@H]1CCOC1 253401758 NMKDEBCDJSGFFO-BPCQOVAHSA-N 306.362 1.283 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)c1F 390827279 GALOKLNGGNOQLY-LLVKDONJSA-N 319.340 1.055 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccccc1 2627762 LTBFUVNBCASTNS-UHFFFAOYSA-N 322.320 1.823 0 40 DDAB CN(C)c1ccc(N2CCN(c3ncc(Cl)cn3)CC2)nn1 1888842634 FSRJFOFIGANHSE-UHFFFAOYSA-N 319.800 1.313 0 40 DDAB Cc1cc(COC(=O)CCn2c(=O)n(C)c3ccccc32)no1 21734371 RXSKDGVSDAIPOY-UHFFFAOYSA-N 315.329 1.770 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1 26845840 JNYYFAHYYACWCW-NSHDSACASA-N 313.375 1.273 0 40 DDAB COC(=O)c1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1 6668581 XKLCMOLDFURSLY-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB O=C(NCCn1nc(-c2cccs2)ccc1=O)C(F)(F)F 8954796 MYIKYTZSQXYUPU-UHFFFAOYSA-N 317.292 1.650 0 40 DDAB CC(C)CNS(=O)(=O)CCCOc1ccc2c(c1)OCO2 12440649 OYEBABWFAIUHDA-UHFFFAOYSA-N 315.391 1.760 0 40 DDAB Cc1cccc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)n1 2055732343 BZZGVWZTRBGFKH-LBPRGKRZSA-N 314.389 1.727 0 40 DDAB O=C(Cn1nnc2ccccc21)NC[C@@H]1COc2ccccc21 585150033 VPKIJUSLTYHZFJ-GFCCVEGCSA-N 308.341 1.724 0 40 DDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCC(C)CC1 11635352 LBOGFRSTBFRWQB-UHFFFAOYSA-N 309.391 1.585 0 40 DDAB Cc1cc([C@H](O)CCNC(=O)C(=O)Nc2cccnc2)c(C)o1 85561925 XLUXUAMOLVKZLQ-CQSZACIVSA-N 317.345 1.470 0 40 DDAB O=C(NCc1cccc(Cn2ccnc2)c1)c1ccc[nH]c1=O 30655938 KPQWPTLQUSGDHI-UHFFFAOYSA-N 308.341 1.550 0 40 DDAB Cn1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)ccc1=O 68115697 IFJTUJXSLJYWMV-UHFFFAOYSA-N 309.329 1.277 0 40 DDAB CCC1(CC)NC(=O)N(Cc2cc(C)c(C(=O)OC)o2)C1=O 31607213 VLPWIKQGROOOJX-UHFFFAOYSA-N 308.334 1.985 0 40 DDAB Cc1nn(CCC(=O)N(C)Cc2cnn(C)c2)c(C)c1Cl 2780153 XUYJHSGKWBSFBS-UHFFFAOYSA-N 309.801 1.936 0 40 DDAB C[C@H](Cn1cccn1)NCC(=O)NCC1(c2ccccc2)CC1 69413729 URJRWLCYFFNKPS-OAHLLOKOSA-N 312.417 1.709 0 40 DDAB C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cnn(C)c1 40528213 NZBIPGNUQHOQAI-WCQYABFASA-N 301.412 1.294 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 45794875 GSCLUMIAJSDMHQ-HNNXBMFYSA-N 315.373 1.672 0 40 DDAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1F 4538327 NSQKCQKSPBTAIP-UHFFFAOYSA-N 323.349 1.625 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NCc1cccc(CO)c1 89512245 IBSFFZYBANFNMN-UHFFFAOYSA-N 303.362 1.224 0 40 DDAB O=C(CC[C@H]1CCCO1)NCc1cccnc1N1CCOCC1 32355206 YAWVOQSZPHVVCC-OAHLLOKOSA-N 319.405 1.494 0 40 DDAB CCC(=O)N1CC2(CC)CN(C(=O)CC)CC(CC)(C1)C2=O 356332 ALUIUXPOFGZVGV-UHFFFAOYSA-N 308.422 1.853 0 40 DDAB biogenic CCOC(=O)COc1nc(C)c(Br)c(OC)n1 346380 XCBYQPNJMTUSPH-UHFFFAOYSA-N 305.128 1.498 0 40 DDAB O=C(O)[C@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1 306205 RYMKROKXVBLIBL-CYBMUJFWSA-N 323.395 1.988 0 40 DDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 52206628 LLUPJYIQDDNLRC-UHFFFAOYSA-N 324.377 1.988 0 40 DDAB COc1cc(NC(=O)Cn2cccn2)ccc1N1CCCC1=O 21563330 ZZYMILOJTWLKRL-UHFFFAOYSA-N 314.345 1.657 0 40 DDAB CC1(C)C(=O)N(CC(=O)N2CCSCC2)c2ccccc21 57355637 FFKPAGNZUYVBKY-UHFFFAOYSA-N 304.415 1.886 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 32833341 FWAXQWGPYDDLND-HRZQKCLFSA-N 305.334 1.846 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 32910667 XCLZLOLMJXCVDC-QGZVFWFLSA-N 319.405 1.714 0 40 DDAB COc1cc(OC)c2[nH]c(C(=O)OCC(=O)NC3CC3)cc2c1 32906249 FPQNUKDDQCVHFU-UHFFFAOYSA-N 318.329 1.621 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(C)c(C)c1 75104549 ZPFZWRXLJGQBDC-CQSZACIVSA-N 310.419 1.457 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCc2ccc(C)o2)c(=O)[nH]1 75111178 IZIRREBKEZQKJX-UHFFFAOYSA-N 303.362 1.935 0 40 DDAB Cc1nc(C)c(C(=O)Nc2cccc(-n3cnnn3)c2)s1 42160018 PAEUVQUHULLOTR-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB O=C(NCC(=O)N1CCc2ccc(O)cc2C1)c1ccsc1 55249108 FXZYPGKCMCPXSV-UHFFFAOYSA-N 316.382 1.768 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCCn1ccnc1 43310686 WXWDFQNSKGSROK-CYBMUJFWSA-N 316.361 1.365 0 40 DDAB NC(=O)C1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 23699659 CUXWARPWLQCNSZ-UHFFFAOYSA-N 304.434 1.969 0 40 DDAB Cc1cc(C(=O)N2CCN(CCc3cccs3)CC2)[nH]n1 55642925 PPJYRKIVULKRCA-UHFFFAOYSA-N 304.419 1.780 0 40 DDAB CC[C@@H]1CN(C[C@H](O)c2ccccc2F)CCN1C[C@H](C)O 107320766 KXCZEUSENXWJMH-VBQJREDUSA-N 310.413 1.636 0 40 DDAB CCCS(=O)(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 57003403 BAZKQLZFZGDGFW-CQSZACIVSA-N 323.418 1.848 0 40 DDAB CCN1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1 57000324 MCMOQSIKSLUKMD-UHFFFAOYSA-N 304.390 1.920 0 40 DDAB COC(=O)C1CCN([C@H](C)c2nc(=O)c3ccccc3[nH]2)CC1 57323000 MAGDMMXMXRQVGC-LLVKDONJSA-N 315.373 1.869 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NC(C)(C)C)c(C)c1 2093753 KCJIMXUIRYZMKE-UHFFFAOYSA-N 312.435 1.805 0 40 DDAB Cc1noc(CN2CCN(C(=O)c3cccc(F)c3)CC2)n1 27462098 SGIMNTMJDGWOMD-UHFFFAOYSA-N 304.325 1.475 0 40 DDAB CC(=O)N1CCCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 27565211 VDFSOWDIDYAQFK-LLVKDONJSA-N 324.812 1.616 0 40 DDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2ccccn2)c1 58294834 OZRXUYMZYAVZES-UHFFFAOYSA-N 319.386 1.061 0 40 DDAB CCn1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 44971780 NYSJNMAXOGKTHP-LBPRGKRZSA-N 315.381 1.484 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)N1CCC(O)CC1 44968559 GTIMDWRGLRTTRN-UHFFFAOYSA-N 304.394 1.348 0 40 DDAB NC(=O)COc1cccc(C(=O)NCCCOCC2CC2)c1 58380214 ZCLMUQVWHLZBGB-UHFFFAOYSA-N 306.362 1.097 0 40 DDAB O=C(NCc1nc(C2CC2)no1)c1ccnc(-n2ccnc2)c1 58329055 PIUMMNXYEXIPKL-UHFFFAOYSA-N 310.317 1.458 0 40 DDAB O[C@@H](COCc1ccccc1)Cn1nnc(-c2ccccc2)n1 58363716 ZBNXVNGVLRNWJX-MRXNPFEDSA-N 310.357 1.918 0 40 DDAB O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(F)cc(F)c1 12776510 QZWQHVYERPASEH-UHFFFAOYSA-N 316.373 1.870 0 40 DDAB COC(=O)CNc1cccc(C(=O)N2CCSCC2)c1C 58428696 YZGRXXCZIISONL-UHFFFAOYSA-N 308.403 1.769 0 40 DDAB O[C@H](CNc1ccc2nncn2n1)COc1cccc(F)c1 48353780 RQXBKERMAOURGB-LLVKDONJSA-N 303.297 1.115 0 40 DDAB COc1cc(Br)c(NC(=O)NCCO)cc1OC 49300902 FPHOZTKXXAGQOU-UHFFFAOYSA-N 319.155 1.580 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1 13690568 CIEWDDXLSXJHCD-LLVKDONJSA-N 301.306 1.199 0 40 DDAB O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 65276622 SRULFRFWFKHBJW-ZDUSSCGKSA-N 309.410 1.209 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CC2)c1C 5212084 PRXMOEUDWPTUFR-VIFPVBQESA-N 308.334 1.242 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2ccccc2C1 69537918 XJOXICAJUXNUFX-LSDHHAIUSA-N 318.442 1.972 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccco1)C2=O 4515394 CQUPETQNKGUTJF-BZNIZROVSA-N 319.361 1.397 0 40 DDAB Cc1nnc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)n1C1CC1 14246537 HXKHWIMXALGSSR-CABZTGNLSA-N 310.423 1.697 0 40 DDAB c1cc(CN2CCC[C@H]2Cn2cncn2)c2c(c1)OCCO2 69624326 YYQGYGXAHINRAK-AWEZNQCLSA-N 300.362 1.714 0 40 DDAB O=C(CN1C(=O)COc2ccccc21)NOCc1ccccc1 14601550 VZKZLKZGMRNZEF-UHFFFAOYSA-N 312.325 1.660 0 40 DDAB CS(=O)(=O)c1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1 69972383 QCSNOUYDRDFPFU-OAHLLOKOSA-N 324.446 1.043 0 40 DDAB CC(C)OCCN1CCN(c2ccc(CN(C)C)cn2)CC1 69947374 VAXVVPXMTBJANP-UHFFFAOYSA-N 306.454 1.690 0 40 DDAB O=C(NC[C@@H]1CCCO1)Nc1ccccc1N1CCOC1=O 71857096 VCOPDIUXLQHVQY-NSHDSACASA-N 305.334 1.944 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3csc(C)n3)CC2)on1 71833054 LCRWIUQUFNRAAL-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB CCCN(C)C[C@H]1CCN(C(=O)Nc2c(C)nn(C)c2OC)C1 96005902 QSOICCUODOQUHI-CYBMUJFWSA-N 323.441 1.933 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nnc(-c3occc3C)o1)CC2 71880016 MUNWMRGWZXINQR-LLVKDONJSA-N 314.349 1.643 0 40 DDAB Cc1ccccc1Cc1cnc(NC(=O)[C@@H]2CNC(=O)N2)s1 89690426 BBDIEMQWZYIOLA-LBPRGKRZSA-N 316.386 1.662 0 40 DDAB O=C(COc1ccccc1P(=O)(O)O)N1CCCCCC1 9419739 CRLUOKOAIMYHTG-UHFFFAOYSA-N 313.290 1.271 0 40 DDAB COCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341551 QIOIJBMCRHZGDV-UHFFFAOYSA-N 306.771 1.088 0 40 DDAB CC(C)c1nnc(S[C@H](C)C(=O)N2CCNC2=O)n1C1CC1 9479822 UFGKOHXFHSFILE-SECBINFHSA-N 323.422 1.769 0 40 DDAB CCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 19818769 OPPIOVLBLGDRBQ-UHFFFAOYSA-N 301.346 1.650 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCC2(c3ccccc3)CC2)C[C@@H](C)O1 71793809 JZDLVIXDEAQRGF-ZIAGYGMSSA-N 324.446 1.662 0 40 DDAB CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccncc2)CC1 71920294 PXAKAGVVUGXNFA-HNNXBMFYSA-N 319.453 1.154 0 40 DDAB O=c1[nH]c(CSc2ncnc3nc[nH]c23)nc2ccsc12 71905437 WTVKQTTWFKEIRK-UHFFFAOYSA-N 316.371 1.943 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCSc2c(F)cccc21 72270106 MJLIXYZZUIQKJS-JOYOIKCWSA-N 323.393 1.893 0 40 DDAB CC(=O)N[C@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 89954671 YBLZRAXRQLTMCN-LBPRGKRZSA-N 300.366 1.107 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1nccc2ccccc12 89919975 YOLWEELEUWEHCH-RYUDHWBXSA-N 318.398 1.882 0 40 DDAB CC[C@@H](CNC(=O)[C@H](C)N1CCN(C)CC1)Oc1ccccc1 95395564 BYMBEZSGEUAPFE-HOTGVXAUSA-N 319.449 1.596 0 40 DDAB COc1ccc(CNS(=O)(=O)N(C)C2CC2)cc1OC 95399001 IZVYDPKIMMFTQT-UHFFFAOYSA-N 300.380 1.132 0 40 DDAB COCC[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)C(N)=O 95463334 XPUVDLWJJOEVAD-CYBMUJFWSA-N 315.373 1.312 0 40 DDAB CCN(CCCNC(=O)c1cc2ccccn2c1)S(C)(=O)=O 76061107 NBPPBVRMWZBSOV-UHFFFAOYSA-N 323.418 1.341 0 40 DDAB CC(C)[C@@H](O)CCNC(=O)[C@H](C)Sc1nnnn1C1CC1 76022758 HDLAPTNTORKAMR-ONGXEEELSA-N 313.427 1.012 0 40 DDAB CCN(C)C[C@@H]1CCN(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)C1 84760821 ZZNOGZMAMCUGBT-BBWFWOEESA-N 324.513 1.948 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 76045795 JFHZOLGDVUNWNI-CYBMUJFWSA-N 315.377 1.295 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2ccccc2)C1 76969201 BCWYZXOWXISRMN-GXTWGEPZSA-N 308.403 1.134 0 40 DDAB CC(C)n1cc(S(=O)(=O)NCC(C)(C)CN(C)C)cn1 95939894 VNDWSGGBOFNZBQ-UHFFFAOYSA-N 302.444 1.330 0 40 DDAB Cc1ccoc1C(=O)N1CCC[C@H](n2cc(C(=O)O)cn2)C1 95982562 VNGUJIPYNIATII-LBPRGKRZSA-N 303.318 1.960 0 40 DDAB O=C(CN1C[C@@H](O)C[C@@H]1C1CCCCC1)NCc1ccccn1 78726224 QOZFSZUUCHYSCK-DLBZAZTESA-N 317.433 1.713 0 40 DDAB C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)N1CCOCC1 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CC[C@@](CNC(=O)c1cc(C)ncn1)(C(=O)O)c1ccccc1 563518886 GEEWDHHJFHXCTL-KRWDZBQOSA-N 313.357 1.947 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)c1ccc2nsnc2c1 75157469 OOTOKQSUKCYFIG-CYBMUJFWSA-N 311.432 1.925 0 40 DDAB Cc1cc(C)c(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c(C)c1 36634097 IKCFLYLOQAVSRR-CQSZACIVSA-N 302.374 1.576 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218447596 HSKRTJBWZWQIEF-RDBSUJKOSA-N 317.838 1.832 0 40 DDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccccc1 218023018 VJIVNVRXMXWSGF-YDHLFZDLSA-N 311.403 1.095 0 40 DDAB CCCc1noc(CN2CCNC(=O)[C@@H]2c2cccs2)n1 72800514 PZIFRCMVDJQGIY-ZDUSSCGKSA-N 306.391 1.757 0 40 DDAB CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C 72559928 JIABGUSRUWAIQX-WBMJQRKESA-N 323.441 1.770 0 40 DDAB Cn1nccc1[C@H](CO)NCc1cccc2c1OC(F)(F)O2 414467132 WBCBLJSFLFAHSV-JTQLQIEISA-N 311.288 1.565 0 40 DDAB COC[C@H]1CCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 87386013 KQAZNKAFKKUBRA-LSDHHAIUSA-N 310.438 1.909 0 40 DDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccccc2F)n1 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COC[C@@H](O)CNC(=O)Nc1ccc(C)c(Br)c1 96410601 XEKJNQZUKSIODF-JTQLQIEISA-N 317.183 1.886 0 40 DDAB COCC(=O)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96100143 GMULQVDQODBKIN-KRWDZBQOSA-N 303.406 1.543 0 40 DDAB COC[C@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2ncn(C)c21 96044805 QMXZYDWSXZXGHK-GFCCVEGCSA-N 302.378 1.751 0 40 DDAB Cc1ncsc1CN1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107987 DZQLBRMLAHXNPQ-LSDHHAIUSA-N 307.463 1.994 0 40 DDAB O=C1COC2(CCN(Cc3cccnc3)CC2)CN1CC1CC1 96062160 KFZDEBZWGULMBP-UHFFFAOYSA-N 315.417 1.685 0 40 DDAB COCCN1CCN(C(=O)c2cscn2)Cc2cccnc21 96198857 TVFADBYJGYUQOR-UHFFFAOYSA-N 318.402 1.647 0 40 DDAB C[C@@H]1CCCCN1C(=O)c1ccc(OCc2nnnn2C)cc1 96101297 XTPSRKPUQVIGFW-GFCCVEGCSA-N 315.377 1.804 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@@H]2C1 96107960 IMGDJJIFPDYWDJ-DOTOQJQBSA-N 318.417 1.417 0 40 DDAB CC[C@@H](CNS(=O)(=O)N(C)C)Oc1ccccc1Cl 96452763 VAYGLOPSJMRRPI-JTQLQIEISA-N 306.815 1.893 0 40 DDAB c1cncc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)c1 96185807 LJUOUXIAPBUODT-YESZJQIVSA-N 303.406 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CCO[C@H]1C[C@H](NC(=O)c2cnc(COC)[nH]c2=N)C12CCC2 547783727 MQSNZJZZZZOLIA-RYUDHWBXSA-N 320.393 1.113 0 40 DDAB O=S(=O)(NCC1(OCCO)CCCC1)c1cccs1 888107123 OYRVRZLENZBREJ-UHFFFAOYSA-N 305.421 1.348 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCOCC2)c(OC)c1OC 571613 NBXXWWFTZRCDKV-FNORWQNLSA-N 307.346 1.584 0 40 DDAB CCn1cc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)c(C)n1 12183229 HKEVCELTPOAHIB-NSHDSACASA-N 312.377 1.775 0 40 DDAB O=C(Cn1cncn1)N[C@H](Cc1ccsc1)c1ccccn1 19400979 ZAHSKKWABQONDG-CQSZACIVSA-N 313.386 1.835 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(O)cc1 165730811 UBSXWRKITMWVBO-CHPZLBCBSA-N 314.341 1.362 0 40 DDAB Cc1nc(CN2CCOC[C@@H]2CC(=O)c2cccs2)no1 154452808 VMOMVJGFFHYDLR-NSHDSACASA-N 307.375 1.913 0 40 DDAB COC(=O)CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 35982497 MPMWIPIBRAFMMO-CQSZACIVSA-N 318.373 1.105 0 40 DDAB COc1cc(=O)n2c(c1C(=O)Nc1ccc3cn[nH]c3c1)CCC2 244955844 GCCWZVRMSKJVDY-UHFFFAOYSA-N 324.340 1.932 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@@H](NC3CCCC3)CS2)C1 2056223642 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DDAB Cn1c(Cl)cnc1CN1Cc2ccccc2C[C@@H]1C(N)=O 50274409 BQVROXVCZFGEDU-GFCCVEGCSA-N 304.781 1.486 0 40 DDAB O=C(C[C@@H](NCc1ccccn1)C(=O)O)Nc1ccc(F)cc1 202834 RFYDVPHMANAHOL-CQSZACIVSA-N 317.320 1.792 0 40 DDAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 422630 IRTMAFYJZWRAPF-UHFFFAOYSA-N 317.418 1.982 0 40 DDAB CCOc1ccc2nc(NC(=O)[C@@H]3C[C@@H](O)CN3)sc2c1 20434116 NWZINKVMCQOTGV-KCJUWKMLSA-N 307.375 1.356 0 40 DDAB O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCCO2 4104063 NCFXABHOVANLIS-DMDPSCGWSA-N 309.387 1.925 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)cc1C 4637901 RZACQFLTQZUPIC-CABCVRRESA-N 320.389 1.854 0 40 DDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(C)=O)cc2c1 8666679 XSXGKKGVCUQQAU-UHFFFAOYSA-N 318.373 1.658 0 40 DDAB Cn1ccnc1SCCNC(=O)COCc1ccccc1 32748243 MJOCBQZKYZCNRO-UHFFFAOYSA-N 305.403 1.845 0 40 DDAB CC[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)N1CCCC1 69453898 ULAIIMWKALAHPV-AWEZNQCLSA-N 314.393 1.267 0 40 DDAB COc1ccc(OC)c([C@H](O)CNc2cc(Cl)nc(N)n2)c1 29588722 JYMRLKOXYCGCOD-SNVBAGLBSA-N 324.768 1.875 0 40 DDAB CCc1noc(CN(C)S(=O)(=O)c2ccc(OC)cc2)n1 60370119 CIDGTMQAUGDKJP-UHFFFAOYSA-N 311.363 1.461 0 40 DDAB CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 2634618 VCVAUDJBUOJEIJ-AWEZNQCLSA-N 309.753 1.195 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H]3CCOC3)c12 41369305 WGJNJASFXPDGNR-LLVKDONJSA-N 314.389 1.920 0 40 DDAB CCNC(=O)NC(=O)CSc1ccc(Br)cn1 52914959 SJKRMHJNMVQXQK-UHFFFAOYSA-N 318.196 1.782 0 40 DDAB Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1 11919908 FUXSXTLOFWEMSA-UHFFFAOYSA-N 302.403 1.617 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)[C@H](C)CO1 46437611 ABZODCVTIFUXCS-NEPJUHHUSA-N 316.361 1.700 0 40 DDAB O=C(NCCCn1cncn1)c1cc(Cl)c2c(c1)OCCO2 41862633 RZRCJSWLDCNYQS-UHFFFAOYSA-N 322.752 1.523 0 40 DDAB NC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 12051923 MHDIDCGNINLUSF-OAHLLOKOSA-N 321.340 1.224 0 40 DDAB CC(=O)Nc1nc2ccc(S(=O)(=O)NC(C)=O)cc2s1 795912 OKMTVAYNHAPJPP-UHFFFAOYSA-N 313.360 1.080 0 40 DDAB Cc1ncsc1C(=O)NCCNC(=O)c1ccc(O)cc1 53742669 NCALHDXLDRUCQI-UHFFFAOYSA-N 305.359 1.317 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncccc2Cl)CC1 54100615 CSZXMENZYHEHGX-UHFFFAOYSA-N 318.764 1.386 0 40 DDAB CCC(=O)Nc1cc(O)nc2nc(COc3ccccc3)nn12 17015618 MXUZSIAMAJEWNG-UHFFFAOYSA-N 313.317 1.757 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NCc2ccoc2)cc1 46922576 KCALJBLAIJPHLA-UHFFFAOYSA-N 308.359 1.683 0 40 DDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 24713745 RLFZAADJGYFCET-UHFFFAOYSA-N 324.789 1.825 0 40 DDAB O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] 61285869 NRJWMKJXYJEZJA-KGLIPLIRSA-N 321.402 1.839 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 37436297 SMCHLATVDOUCBF-RNCFNFMXSA-N 309.749 1.967 0 40 DDAB in-vitro CCCc1nnc(S)n1CC(=O)NCc1cccc(OC)c1 25423147 BUDZHJNEQRXROQ-UHFFFAOYSA-N 320.418 1.844 0 40 DDAB Cc1ccc(-c2nnc(CN(C)[C@@H]3CCS(=O)(=O)C3)o2)cc1 25943123 BGNLBHWBELIXEZ-CYBMUJFWSA-N 321.402 1.664 0 40 DDAB O=C(c1cc(Cl)c[nH]1)N1CCC(CN2CCOCC2)CC1 47422893 ZGVVPHGUXFDVAE-UHFFFAOYSA-N 311.813 1.853 0 40 DDAB O=C(Nc1cccnc1N1CCCC1)C1(C(=O)NC2CC2)CC1 58159908 PIVGHDYXUSJHFJ-UHFFFAOYSA-N 314.389 1.679 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccccn1)CS2 58131678 LFGKAXQILWLTKC-IUODEOHRSA-N 305.403 1.194 0 40 DDAB CCc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1C(C)(C)C 44852835 JKQQHMYPMIBNIL-UHFFFAOYSA-N 306.410 1.538 0 40 DDAB COCc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 44890073 YFGJLDNDXJQPMR-HNNXBMFYSA-N 302.374 1.716 0 40 DDAB CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CCO1 27642182 LDXONHIFPBPDGV-CQSZACIVSA-N 315.377 1.094 0 40 DDAB O=C(c1ccncc1)N1CCC(CCN2CCOCC2)CC1 58277855 LDORJDKZEKCPHW-UHFFFAOYSA-N 303.406 1.656 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21 44910256 NCUMBNBBLXLQCW-DOMZBBRYSA-N 322.430 1.798 0 40 DDAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)[C@@H]1CCCO1 27889630 RNSOGSANSPCYGB-DOMZBBRYSA-N 300.362 1.624 0 40 DDAB CCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1 58406054 RXLWCQOIVMGLAC-LLVKDONJSA-N 313.444 1.886 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](CNC(=O)N(C)C)[C@H]2C1 306143924 YQSOGKKTMFEWEF-NWANDNLSSA-N 322.409 1.009 0 40 DDAB CCCCN(CC(N)=O)CC(=O)N1CCc2sccc2C1 48048219 JBNLRXXPQWDBAX-UHFFFAOYSA-N 309.435 1.220 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 48127086 ZFVHXWAOTLMQGA-CZUORRHYSA-N 312.369 1.935 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cn3ccc(C)cc3n2)CC1 48260777 FUGDUVSKTWWSPL-UHFFFAOYSA-N 300.362 1.337 0 40 DDAB Cc1ccoc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48330431 NLDGLAXLYMZDLY-UHFFFAOYSA-N 314.389 1.665 0 40 DDAB O=C(CCN1CCSC1=O)NC[C@@H]1Cc2ccccc2O1 48303142 KYNPGFIOCZNVHG-LBPRGKRZSA-N 306.387 1.665 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1cc(C)no1 69589732 BEHUCGMQYRZGQK-KBPBESRZSA-N 320.393 1.397 0 40 DDAB Cc1cnc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cn1 48956798 WBFZUFIKYRZAGL-INIZCTEOSA-N 324.384 1.879 0 40 DDAB C[C@@H](OC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(N)=O 69628935 DHABUMHJNIKZKT-ZIAGYGMSSA-N 318.417 1.747 0 40 DDAB O[C@H](COc1ccccc1)CN1CCC[C@@H]1Cn1cncn1 69630602 OFYJVMIFBXILGE-CABCVRRESA-N 302.378 1.182 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 6083880 NXBBDJJQZIPBLX-HNNXBMFYSA-N 305.309 1.485 0 40 DDAB CCc1nc2cc(NC(=O)[C@H](C)NS(C)(=O)=O)ccc2o1 67843674 PUXISZDJTYEYQO-QMMMGPOBSA-N 311.363 1.266 0 40 DDAB CC[C@@H](CNC(=O)CNC[C@H]1CN(C)CCO1)c1ccccc1 69740469 BAKDTTONFCIYIE-RDJZCZTQSA-N 319.449 1.217 0 40 DDAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCOCC1)cn2C 22237305 JJCAYEUYHQQKDO-UHFFFAOYSA-N 316.357 1.410 0 40 DDAB CC(=O)N1C(=S)NC(=O)/C1=C\C1=Cc2ccccc2OC1 39940600 MDGOCPXCZOAVLP-KPKJPENVSA-N 300.339 1.610 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O 9053817 LRTBCPFCBUZNSH-OTYXRUKQSA-N 317.345 1.081 0 40 DDAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1cc(C)no1 14142928 KDIYIOIOJJPISK-MRVPVSSYSA-N 324.362 1.974 0 40 DDAB CCc1nc(CN2CCC[C@@H](NCc3cscn3)C2)no1 69899133 FOERVJOQNMRPOV-LLVKDONJSA-N 307.423 1.843 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 65609406 FNAFJEGKUPYBRJ-CYBMUJFWSA-N 306.410 1.687 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCCCN1CCCC1=O 14251537 AHETXTYYEHIZPC-UHFFFAOYSA-N 310.781 1.848 0 40 DDAB CC[C@@H](C(=O)N1CCCCC1)n1c(=O)[nH]c2ccccc2c1=O 9058669 VHYBICCDBCKHMX-AWEZNQCLSA-N 315.373 1.653 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1c1nc(C2CC2)nc2c1CCC2 92939796 OCIPRRYSFJVDIM-AWEZNQCLSA-N 300.406 1.804 0 40 DDAB Cc1nc(N2CCN(CCOC(C)C)CC2)c2cnn(C)c2n1 69947182 XTVLUYXBFDIWDT-UHFFFAOYSA-N 318.425 1.219 0 40 DDAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(N)nc(N)n1 4921776 AEOMKWHFLVRYEY-ZETCQYMHSA-N 320.378 1.164 0 40 DDAB CN(c1ccc(OCc2noc(C3CC3)n2)cc1)S(C)(=O)=O 67098231 YXLNGCLEUMAIQK-UHFFFAOYSA-N 323.374 1.922 0 40 DDAB C[C@@H](Sc1nccn1C)C(=O)N1CC(=O)Nc2ccccc21 7061342 NETOIGAGBSFNJW-SNVBAGLBSA-N 316.386 1.886 0 40 DDAB CCN(CC)C(=O)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1 7408392 PGRNGZLQLVDVEL-UHFFFAOYSA-N 316.361 1.373 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2cc(C)oc2C)NC(=O)NC1 18271963 BYPYCAAZMANIAG-UHFFFAOYSA-N 322.317 1.183 0 40 DDAB CC[C@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CCO1 30855189 GNNATQNBCVXOQD-LBPRGKRZSA-N 315.373 1.113 0 40 DDAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c[nH]c(C(C)C)n1 81073651 UNANYSUQQDACJW-JTQLQIEISA-N 324.410 1.246 0 40 DDAB CCCCN1CCC(NS(=O)(=O)C[C@H]2CCCCO2)CC1 68902232 UQUNKVDZEJPRKI-OAHLLOKOSA-N 318.483 1.739 0 40 DDAB COc1ccc(C2=NC(C)(C)N(CC(=O)NC(C)C)C2=O)cc1 71327830 JAKMXQZKTHUXLE-UHFFFAOYSA-N 317.389 1.587 0 40 DDAB Cc1nsc(C)c1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 408489034 PCVWHYLEFJOLMD-JTQLQIEISA-N 318.420 1.389 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 71830832 RQLCCNDCGCVBCH-CJNGLKHVSA-N 316.401 1.891 0 40 DDAB Cc1cc(C)cc(C2(C(=O)NCCCS(C)(=O)=O)CC2)c1 71819956 MDFIPDDTLXTWQC-UHFFFAOYSA-N 309.431 1.886 0 40 DDAB CC(C)c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)n1C1CC1 9479821 UFGKOHXFHSFILE-VIFPVBQESA-N 323.422 1.769 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1Cn1cccn1 71872045 FSFZBAVARDWADW-ZDUSSCGKSA-N 315.402 1.826 0 40 DDAB CN(C)CC1CCC(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)CC1 83847965 CKISEMKCJROTLD-SIWZUTFBSA-N 321.465 1.482 0 40 DDAB Cc1ccc(CNC(=O)COCC(=O)Nc2ccc(F)cc2)o1 9669297 NJINBVCBAMDXAL-UHFFFAOYSA-N 320.320 1.999 0 40 DDAB CC1CCN(CC(=O)N2CCN(c3ccccc3O)CC2)CC1 96954603 VWLYONWUIFDBAO-UHFFFAOYSA-N 317.433 1.773 0 40 DDAB COC(=O)c1cc(F)ccc1CN(C)CC(=O)NC(C)(C)C 84170159 LLROKOUWWRDZCE-UHFFFAOYSA-N 310.369 1.959 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 76045422 YXKXIRHKJRERFN-CYBMUJFWSA-N 319.365 1.251 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C12CCC2 72295805 WVPDQGGFGAOIGN-MRVWCRGKSA-N 308.422 1.755 0 40 DDAB O=C(CCOc1ccccc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269032 MERQITYOLBEDKD-SJORKVTESA-N 318.417 1.513 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 72253489 WVJUVOOCKQAUGB-ZDUSSCGKSA-N 318.381 1.056 0 40 DDAB Cc1nc([C@H]2CCCN2CCS(=O)(=O)c2ccccc2)no1 84280985 VYANHDHHCXHGPZ-CQSZACIVSA-N 321.402 1.989 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCNC1 84200227 GUSGLHDTRSXMKE-OLZOCXBDSA-N 311.426 1.502 0 40 DDAB in-vitro COCCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 76992892 HYDLGVWJFONGNT-ZBFHGGJFSA-N 322.380 1.356 0 40 DDAB Cc1nc(C(=O)OC[C@@H]2CNC(=O)C2)c(-c2ccccc2)o1 97137008 WXNLZEOJWSALMP-NSHDSACASA-N 300.314 1.943 0 40 DDAB COc1ccc2nc(N3CCS(=O)(=O)[C@H](C)C3)ccc2c1 97142365 OUEXJYJOPSWNAF-LLVKDONJSA-N 306.387 1.867 0 40 DDAB CCN1CCc2c(cccc2NC(=O)C2(C(=O)OC)CC2)C1 97146585 OSCZPMZUFXWQNJ-UHFFFAOYSA-N 302.374 1.956 0 40 DDAB Cc1nc2ncnn2c(NCCCNC(=O)c2ccccc2)c1C 77214699 QYGUXAGZJKGJII-UHFFFAOYSA-N 324.388 1.973 0 40 DDAB C[C@H]1CN(Cc2nc3cc(F)ccc3n(C)c2=O)C[C@@H](C)O1 97201020 YMFCWQDNQIWKAP-PHIMTYICSA-N 305.353 1.682 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)CNC(=O)CCC(C)C)C2)n[nH]1 95415940 WPDMBQTZGOXNKX-CYBMUJFWSA-N 321.425 1.372 0 40 DDAB CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C(=O)O 95424662 MUTQTTOIGQRIPP-ZWNOBZJWSA-N 304.346 1.728 0 40 DDAB CCc1c(C(=O)NCC2(CO)CCOCC2)cnn1CC(C)C 95440022 JPPPJZZHCMJOJX-UHFFFAOYSA-N 323.437 1.620 0 40 DDAB Cc1cc(C(=O)Nc2cccc(O)c2)cc(S(N)(=O)=O)c1C 98073422 NFOMTLGXUSZEAV-UHFFFAOYSA-N 320.370 1.909 0 40 DDAB c1csc(CN(C[C@@H]2CCCO2)c2ccc3nnnn3n2)c1 95966319 QRYOQRHBLOZSCX-NSHDSACASA-N 316.390 1.766 0 40 DDAB COc1cccc([C@@H]2C[C@H]2C(=O)NCc2nnc3n2CCC3)c1 89469884 SRAAFIAJBGDZGR-UONOGXRCSA-N 312.373 1.653 0 40 DDAB C[C@H](C(=O)NCCCn1ccnc1)n1ccc(C(F)(F)F)n1 27974004 XGOCEKGJUHAOBF-SNVBAGLBSA-N 315.299 1.866 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218402291 JZXYBVMSFCJJHN-KCQAQPDRSA-N 311.403 1.020 0 40 DDAB C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)N=c1cc2ccccn2[nH]1 516501611 ZZFIOHFJJMFDIB-ZFWWWQNUSA-N 313.405 1.847 0 40 DDAB CC[C@H]1CN(c2ccc3c(n2)CCC3=O)CCN1C[C@@H](C)O 519461592 JOIOXYONWQFUSO-OLZOCXBDSA-N 303.406 1.492 0 40 DDAB Cc1nc(COc2cccc(C(=O)NC[C@H](C)O)c2)oc1C 77239994 JRJWYVKOOORKFR-JTQLQIEISA-N 304.346 1.981 0 40 DDAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@@H]3C)cc1 72342365 WDVCLIGPMRGZCA-SNVBAGLBSA-N 315.329 1.482 0 40 DDAB COC(=O)[C@@H](CCSC)NC(=O)NCCc1ccccc1 6379620 KVNSXYKPQJVOPP-CYBMUJFWSA-N 310.419 1.823 0 40 DDAB biogenic CN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 72242317 GLQVIOBGABSKSX-DZGCQCFKSA-N 306.337 1.204 0 40 DDAB CNC(=O)CCc1cccc([C@@H]2CCCN2c2ncccn2)n1 72382850 UJZFZSZHIZMXRN-HNNXBMFYSA-N 311.389 1.892 0 40 DDAB CN(CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 79391657 VQKMPYGFPLZMAB-UHFFFAOYSA-N 306.406 1.959 0 40 DDAB O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCN(CCO)C1 79411230 YFXVXJRMEUNTHG-INIZCTEOSA-N 304.390 1.854 0 40 DDAB CN(C)c1cccc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1 70971889 RENJQYPLIRPBEN-UHFFFAOYSA-N 304.390 1.978 0 40 DDAB Cn1cnc(CCNC(=O)N2CCC(c3ccncc3)CC2)n1 562379924 MALDSQSUTGWIGW-UHFFFAOYSA-N 314.393 1.342 0 40 DDAB CNC(=O)CS(=O)(=O)Cc1coc(-c2ccc(OC)cc2)n1 40498874 UKMCPBNLOHEBPW-UHFFFAOYSA-N 324.358 1.011 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3scnc3C)C2)nn1 225428357 OPELERUUDGNYDD-LLVKDONJSA-N 304.375 1.843 0 40 DDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1 45954028 PRUARTUQGKKXOQ-CYBMUJFWSA-N 318.373 1.439 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(N)c2)C1 195578901 SDMYVUHNBSYRRX-CHWSQXEVSA-N 311.451 1.668 0 40 DDAB NC[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)S1(=O)=O 222539079 FXTCCBHGBFOGST-NSHDSACASA-N 308.325 1.568 0 40 DDAB COc1cc(CNCCNCCO)cc(Cl)c1OC(C)C 40719616 UVRMOOYHBCUQDC-UHFFFAOYSA-N 316.829 1.807 0 40 DDAB COC(=O)CCNC(=O)CCCNC(=O)c1cccc(C)c1 41097398 IKNNQADYUGYOLK-UHFFFAOYSA-N 306.362 1.184 0 40 DDAB Cn1ccc(C2CCN(C(=O)[C@@H]3NCC34CCCC4)CC2)n1 1579971029 IWLAHTKNBSNTOX-HNNXBMFYSA-N 302.422 1.658 0 40 DDAB CN(C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225170340 UWVBZXCATSBBKY-UHFFFAOYSA-N 320.361 1.599 0 40 DDAB CCS(=O)(=O)c1ccc(N2CCC[C@@H](CCC(N)=O)C2)cc1 225517961 LCVUIZBIIDHIAZ-ZDUSSCGKSA-N 324.446 1.962 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccsc1 96056472 WZZHADVBTGNVIO-HUUCEWRRSA-N 307.463 1.875 0 40 DDAB O=C1CO[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1cccc(F)c1 96246424 YQDWCXRSMZJWQR-HZPDHXFCSA-N 304.365 1.647 0 40 DDAB CN1CC[C@]2(CN(Cc3nccn3C)C[C@H]2c2ccccc2)C1=O 96201842 IWCQLCJHYZLMOI-QFBILLFUSA-N 324.428 1.868 0 40 DDAB CNC(=O)c1ccccc1OC[C@H](O)CN1CCC(C)CC1 95439080 MLKXSOIZIJMZDZ-CQSZACIVSA-N 306.406 1.518 0 40 DDAB COCCS(=O)(=O)NCC1(c2cccc(Cl)c2)CC1 96417530 JMYDQIMJQNNNSX-UHFFFAOYSA-N 303.811 1.937 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@]2(CN(CC(=O)O)CCO2)C1 96226817 TWZMVMNGXHHDKE-INIZCTEOSA-N 323.393 1.043 0 40 DDAB O=C(c1ccccn1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184459 BHDHYKRROAXQGQ-DLBZAZTESA-N 315.417 1.797 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cnoc2C)Cc2cnn(C)c21 96044713 DRXRFOSBULMBGD-GFCCVEGCSA-N 304.350 1.493 0 40 DDAB COc1cc(N2CCc3cc(C(=O)O)c(C)nc3CC2)ncn1 96189560 FNUOAUQWJXSHFQ-UHFFFAOYSA-N 314.345 1.492 0 40 DDAB COc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cnn(C)c2)ncn1 96063978 ADLLYIQLDRBQKN-KBPBESRZSA-N 314.393 1.072 0 40 DDAB CSC[C@H](C)N(C)C(=O)CN1CCN(c2ccccn2)CC1 96436839 MZFJLPKEXOKZCP-AWEZNQCLSA-N 322.478 1.414 0 40 DDAB Cc1noc(C)c1CN1C[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@@H]2C1 96216755 NQUPOFDDMJSWOZ-KCQAQPDRSA-N 307.394 1.359 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2[C@@H](COC)C1 96044807 JXDXOZXZLKYQCC-GFCCVEGCSA-N 317.393 1.331 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@@H]2C1 96107947 AALIAWRCLHSVFW-XJKSGUPXSA-N 300.358 1.835 0 40 DDAB CO[C@H]1CCN(C(=O)c2cnc(C)nc2C)C[C@@]12CCCO2 257272854 NEDGWDIMKSOQKE-HOCLYGCPSA-N 305.378 1.504 0 40 DDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)cc1 257225490 FGLNTZAGNNNPBN-IAGOWNOFSA-N 318.417 1.499 0 40 DDAB O=C(Cn1ccc2ccc(F)cc21)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257240586 HUFQOQLCKXHZNV-FRFSOERESA-N 320.364 1.561 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)c2cc(C)nc(O)n2)n1 257288492 PUKAHGNKXHPKOE-LBPRGKRZSA-N 314.349 1.300 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2C(=O)CN2CCOCC2)ccn1 257261474 LHLWNIHFGSBUMP-HNNXBMFYSA-N 318.421 1.143 0 40 DDAB CO[C@]1(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CCSC1 96097725 BNKPOFWHPQVMDM-LRDDRELGSA-N 322.430 1.502 0 40 DDAB CO[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(C)s1 96104841 LBOWKDBEECRHDG-LBPRGKRZSA-N 310.419 1.919 0 40 DDAB O=C(Cn1cccn1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585278814 GZUQFIUZBWVWNC-GDBMZVCRSA-N 317.364 1.474 0 40 DDAB COCCOc1cccc(C(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)c1 585141211 RCXXDEILXGLJME-JKSUJKDBSA-N 318.417 1.736 0 40 DDAB CN1C[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1=O 44911728 OGXDPRFYQBLHDP-KBPBESRZSA-N 319.405 1.401 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 75156894 PNYQNNKNNMBQPM-QWRGUYRKSA-N 303.355 1.416 0 40 DDAB O=C(c1ccncc1)N1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 97034174 SGTXBFSZYMUNHR-ZWKOTPCHSA-N 323.396 1.498 0 40 DDAB O=C(NC[C@@]1(O)CCSC1)c1cncc(Br)c1 81998927 AZSUKAJXMLVRTP-NSHDSACASA-N 317.208 1.442 0 40 DDAB O=C1NCCN1C(=O)NCC1(c2ccsc2)CCOCC1 952987177 RQPZESVSMBQHQL-UHFFFAOYSA-N 309.391 1.531 0 40 DDAB CC(C)OCCNC(=O)[C@@H]1CN(C)[C@H]2c3ccccc3OC[C@@H]12 1772595822 MRWVMXOXXFFSKJ-VYDXJSESSA-N 318.417 1.839 0 40 DDAB CO[C@@H]1O[C@@H]2CO[C@@]1(OCc1ccccc1)[C@@H]1OC(C)(C)O[C@H]21 5742051 SBEWAOCFMZWMSQ-IETPZCKNSA-N 322.357 1.821 0 40 DDAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3cnn(C)c3C)C[C@H]1CC2 12232586 IXJSAEMRDPTPNO-HIFRSBDPSA-N 311.389 1.629 0 40 DDAB CC(C)CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858479 URPGQVQSUOIVEM-UHFFFAOYSA-N 310.375 1.139 0 40 DDAB 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301.346 1.000 0 40 DDAB O=C1C[C@H](C(=O)NCCCn2cccn2)c2ccc(F)cc2N1 30166901 BWRNKFGXHFBNTE-ZDUSSCGKSA-N 316.336 1.655 0 40 DDAB CS(=O)(=O)CCSc1nnc(Cc2ccccc2F)o1 67954485 FDPXFYVXPVCLEK-UHFFFAOYSA-N 316.379 1.936 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1C 787155 VFQWUIWXBYGQQK-GFCCVEGCSA-N 306.362 1.374 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CCO1 69440832 KKYHJKQWIIMDKZ-SJORKVTESA-N 316.401 1.597 0 40 DDAB CCOc1cc(CO)c(Br)cc1OCC(N)=O 2554805 UYDAVCIPBMUEMA-UHFFFAOYSA-N 304.140 1.204 0 40 DDAB Cn1nccc1CNC(=O)CCn1cc(Br)cn1 2779139 JPGWVMVWHOEXEQ-UHFFFAOYSA-N 312.171 1.086 0 40 DDAB CC(C)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4088620 YRNWPXJCYSWGDI-UHFFFAOYSA-N 319.386 1.895 0 40 DDAB COCCN(CCOC)C(=O)c1cc(Br)c[nH]1 29489362 AFRPBUHJUSRSRT-UHFFFAOYSA-N 305.172 1.512 0 40 DDAB COCCn1nnnc1CN(Cc1ccco1)C[C@H]1CCCO1 4230845 ATDGBQWDYCLQGA-CQSZACIVSA-N 321.381 1.094 0 40 DDAB COc1ccc(NC(=O)c2c(C(=O)O)cnn2C)c(OC)c1 20614625 MPIPOBSEOYSMQJ-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB COC(=O)CSC1=N[C@H](c2ccccc2)C(C(N)=O)=C(C)N1 6202417 OYTVFAKIOXLZMX-CYBMUJFWSA-N 319.386 1.352 0 40 DDAB O[C@H](CN1CCN(c2cnccn2)CC1)c1cccc(F)c1 51650526 YPFQLERMHOTGNC-OAHLLOKOSA-N 302.353 1.471 0 40 DDAB CCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 20713822 DYEHPWDHERVPCM-INIZCTEOSA-N 317.389 1.940 0 40 DDAB Cc1ncncc1C(=O)N1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 89544579 ITCFOJDYMXCXJL-GFCCVEGCSA-N 316.365 1.240 0 40 DDAB CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 315125 XAOFVFCBLAIDDU-UHFFFAOYSA-N 318.398 1.970 0 40 DDAB Cc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1-c1ccccn1 21195453 SWTHGESKQRLONI-UHFFFAOYSA-N 313.342 1.849 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCO[C@@H]3CCCC[C@@H]32)C1=O 71828217 NNFAUCVDXAFOFN-QWHCGFSZSA-N 309.410 1.350 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 41131883 XCVHDJJZLBLVGI-SNVBAGLBSA-N 300.280 1.582 0 40 DDAB Cc1cc([C@@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)no1 52530978 XYDQPYNVWHRHBT-ZDUSSCGKSA-N 320.393 1.840 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCCn2ccnc2C)c(=O)[nH]1 75121365 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COc1ccc(-n2c(=O)[nH]c(C)c(CC(=O)O)c2=O)cc1Cl 20156507 ORXJTKILPOZGHK-UHFFFAOYSA-N 324.720 1.123 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]ncc23)CC1 26423792 PODFBDRFPZOWFK-UHFFFAOYSA-N 304.354 1.410 0 40 DDAB COc1ccccc1N1CCN(CCC(=O)NC2CC2)CC1 26807827 YAXLSIVRLAQXEQ-UHFFFAOYSA-N 303.406 1.486 0 40 DDAB COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2ccccc2n1 27562569 IPLSJJFPEMZPBN-ZDUSSCGKSA-N 301.346 1.222 0 40 DDAB CC(C)(C)c1noc(CN2CCN(c3cnccn3)CC2)n1 27638711 XUWCWHYNJJBWEQ-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB CC(C)[C@@H](C(=O)NCCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 58249210 IBGHTTJARCMCDO-INMHGKMJSA-N 319.449 1.874 0 40 DDAB COc1ncccc1C(=O)NC1CCN(c2ncccn2)CC1 36390682 FLFNSLXKVFGTAQ-UHFFFAOYSA-N 313.361 1.279 0 40 DDAB C[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2O1)N1CCOCC1 48343729 UQPYKWCZRKJLCL-ZFWWWQNUSA-N 319.405 1.010 0 40 DDAB CC[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccncc1 175111577 BACVFBWPPMYIJQ-STQMWFEESA-N 300.366 1.438 0 40 DDAB CCNC(=O)c1cccc(NC(=O)[C@@H](NC(N)=O)C(C)C)c1 12933858 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O=C(NCCCn1cccn1)c1cccc(Cn2cccn2)c1 28573347 GGNRPMLLNVMVPS-UHFFFAOYSA-N 309.373 1.948 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CN(C)CCO1 83003931 PKUOXMKZASKTMI-CJNGLKHVSA-N 303.406 1.184 0 40 DDAB CNC(=O)CNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 9114351 IBVNPIYXDADAQQ-VOTSOKGWSA-N 319.361 1.825 0 40 DDAB O=S(=O)(N[C@@H]1CCCNC1)c1ccccc1OC(F)(F)F 71397404 JDWONWOCMVMWPA-SECBINFHSA-N 324.324 1.616 0 40 DDAB CCS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)O)C2)c(F)c1 19735951 JAYGQEIXBNRNLG-SNVBAGLBSA-N 315.366 1.920 0 40 DDAB Cc1ncsc1CN1CCN(c2ccc(C(N)=O)cc2)CC1 93534133 QVVAAFIKLCCGCW-UHFFFAOYSA-N 316.430 1.873 0 40 DDAB Cn1c(CCNC(=O)Nc2cn[nH]c2)nc2ccc(F)cc21 76091878 HPXBXDYQDQKFDX-UHFFFAOYSA-N 302.313 1.800 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2c(F)cccc2F)cn1 76092431 PLRPSIUOXYTOEX-MOEXGYKKSA-N 321.327 1.735 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc(OCC(N)=O)cc2)o1 84195077 IKYVGCJRFIEWEB-LLVKDONJSA-N 302.330 1.943 0 40 DDAB CC1CCN(S(=O)(=O)NC2(CC(=O)O)CCCC2)CC1 84146973 BMBXQGLMKDURGR-UHFFFAOYSA-N 304.412 1.340 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@H]2c2noc(C)n2)n1 72279292 IOKXFFXYYCHFCO-JTQLQIEISA-N 307.379 1.919 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCC(CO)CC1)C2 72254828 RKODQMUYONIJHK-AWEZNQCLSA-N 320.389 1.413 0 40 DDAB CC(C)Cc1nc(CN2CCc3ncnc(N(C)C)c3C2)no1 97201817 SZGVQLHULOWULH-UHFFFAOYSA-N 316.409 1.682 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCc2ccccc2C1 78965204 LTJXBQLXUIKPDM-HNNXBMFYSA-N 324.446 1.332 0 40 DDAB Cc1ccc(CNC(=O)NCC2(C(=O)N(C)C)CCCC2)cn1 79098416 SGRQXIVACKEHCO-UHFFFAOYSA-N 318.421 1.838 0 40 DDAB Cn1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2=O)cn1 79020965 RCXXIGUXEZNDOF-UHFFFAOYSA-N 317.324 1.440 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(c2ccncc2Cl)C1 95408538 LKZGAAQXICAUIN-JTQLQIEISA-N 303.815 1.501 0 40 DDAB O=C(NCc1nncn1C1CC1)c1ccc2nsnc2c1 95456870 XOMQRRKHLRZAJO-UHFFFAOYSA-N 300.347 1.548 0 40 DDAB Cn1cc(/C=C/C(=O)N2CCN(CCc3ccccc3)CC2)cn1 95469763 YXISSXHPMZMUDW-BQYQJAHWSA-N 324.428 1.820 0 40 DDAB CCC[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1nnn[nH]1 84740421 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CC(C)NC(=O)Nc1cccc(NC(=O)c2nccnc2N)c1 32830586 WVIQZMRPGRSXIV-UHFFFAOYSA-N 314.349 1.841 0 40 DDAB C[C@H](N)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)C1CC1 79404561 VLUXJUAHIPBKBB-HOCLYGCPSA-N 301.434 1.847 0 40 DDAB CCOc1cc(C)nc(N2CCC(C(=O)NC3CC3)CC2)n1 35315759 ONBPNSMMWCXWQN-UHFFFAOYSA-N 304.394 1.679 0 40 DDAB O=C([C@@H]1C[C@H]1c1cccnc1)N1CCCN(c2ncccn2)CC1 79000171 PYZQYUBBJSRFKZ-JKSUJKDBSA-N 323.400 1.714 0 40 DDAB COc1ccc(N2C(=O)S[C@H](CC(=O)O)C2=O)c(OC)c1 36635212 IQFBFTWKHAUKSM-SNVBAGLBSA-N 311.315 1.747 0 40 DDAB CC(C)n1cc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cn1 72239183 GEDNWVNCYDMQIK-UHFFFAOYSA-N 308.363 1.364 0 40 DDAB COCC(=O)N[C@H](C(=O)N[C@@H]1CCc2ccc(F)cc21)C(C)C 78112153 XBNWEMFUACXPRP-ZBFHGGJFSA-N 322.380 1.716 0 40 DDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cncnc1 225557222 ZWRKAOPYOILGMC-HNNXBMFYSA-N 311.341 1.146 0 40 DDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC)c(Cl)c1 226686186 QNLITSPETOAOIB-UHFFFAOYSA-N 320.798 1.153 0 40 DDAB C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23 48523202 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CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 100634699 UKKGEKYFVJZNFL-AYMQEEERSA-N 305.374 1.663 0 40 DDAB O=C(CN1C(=O)COc2ccccc21)Nc1nc2ccccc2[nH]1 7737738 ODHZDQLNTKBRPL-UHFFFAOYSA-N 322.324 1.927 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)c2cnc(C)cn2)n1 11764935 AZAIKOVJAKHALN-UHFFFAOYSA-N 306.347 1.599 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)OCc2cc(C)no2)cc1 29510248 YKRAADURDGHJDR-UHFFFAOYSA-N 310.331 1.248 0 40 DDAB CCN1CCN(CC(=O)N[C@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)CC1 100467050 LOIHYFUROLKSQC-RLFYNMQTSA-N 307.482 1.955 0 40 DDAB COc1cccc(CCC(=O)N2CCC[C@H](C(N)=O)C2)c1OC 9515077 MUSLSOYRDKUUKJ-ZDUSSCGKSA-N 320.389 1.360 0 40 DDAB CCC(C)(C)NC(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 52834696 GFWUDSVLCZNCCC-OAHLLOKOSA-N 317.433 1.854 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 101681830 JPCCKXXLIFFNNI-FKGLVLAHSA-N 315.325 1.554 0 40 DDAB C[C@H](NC(=O)CSc1nccc(=O)[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 103411787 HACWSAJBRRPZHS-BJDJZHNGSA-N 307.419 1.803 0 40 DDAB CN1N=C(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCC1=O 69488667 HOFWXEZMZDBKIW-UHFFFAOYSA-N 317.364 1.972 0 40 DDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCC(OC)CC1 53898029 UMYZXDWUMWCLQO-CYBMUJFWSA-N 306.406 1.811 0 40 DDAB Cc1cnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1 12410033 WWEOBJCQRXBHFX-UHFFFAOYSA-N 304.310 1.819 0 40 DDAB CCOCCNC(=O)COc1cccc(NC(=O)C2CC2)c1 53961939 HCUSNUZDXCJETI-UHFFFAOYSA-N 306.362 1.567 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)/C=C/c2cccs2)CC1 47456179 ICBNFKQHDUEEMZ-AATRIKPKSA-N 314.432 1.255 0 40 DDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1Cn1cccn1 71866360 FHNBAIOKKXLNRL-HNNXBMFYSA-N 322.372 1.769 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1 23774309 HBEOWQMGQSOQDQ-HNNXBMFYSA-N 323.356 1.033 0 40 DDAB COC(=O)c1cc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)oc1C 24279533 LHWZAMCSLFQLRI-CQSZACIVSA-N 324.377 1.494 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O 12568709 RQCOQNYFEFUJND-XQQFMLRXSA-N 309.410 1.648 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1O 25290121 XQMWFABXIVXKIT-UHFFFAOYSA-N 313.357 1.554 0 40 DDAB CCN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 22585868 GGJBOWMERUZVQT-LBPRGKRZSA-N 305.378 1.380 0 40 DDAB CCOCCN1CCN(Cc2ccc3c(c2)OCCO3)CC1 57566803 AUBPLUFINHECOO-UHFFFAOYSA-N 306.406 1.612 0 40 DDAB Nc1c(NC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 3269816 BBROWDOAEYMSLO-UHFFFAOYSA-N 300.362 1.522 0 40 DDAB CN(C)C(=O)C1CCN(C[C@H](O)COc2ccccc2)CC1 57942931 CRHNLQPFRLUQNP-HNNXBMFYSA-N 306.406 1.227 0 40 DDAB CCCNC(=O)c1[nH]nc2c1COC[C@@]21CCN(C(C)C)C1 306136032 PHAGOJZPFLDBRY-INIZCTEOSA-N 306.410 1.432 0 40 DDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 44722380 JINXVCHCUDQDJP-GFCCVEGCSA-N 316.336 1.192 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(OC)cc2)C1 44867112 UTPVATFLWNJWEH-CYBMUJFWSA-N 321.373 1.876 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N[C@@H](C)c1ccc(F)cc1 3339150 WXKMFPPJFZAPGZ-IUCAKERBSA-N 309.370 1.707 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCc2ccccc21 44910253 NCUMBNBBLXLQCW-SWLSCSKDSA-N 322.430 1.798 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@@H]1CCCO1 27900450 HYQYFNXFKMIBFD-OBJOEFQTSA-N 306.362 1.312 0 40 DDAB C[C@H](Sc1nnc(N)s1)C(=O)NC(=O)Nc1ccccc1 10789951 RGGADNNCXHXRIP-ZETCQYMHSA-N 323.403 1.949 0 40 DDAB CN(C)C(=O)COc1ccc(NC(=O)CCn2cccn2)cc1 48791179 ALYVSVFEADWAGP-UHFFFAOYSA-N 316.361 1.379 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 13170448 UFQZVMLULHEIOM-FUEXJSSKSA-N 303.314 1.752 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)O)CC1 13167352 YUZQVAIKHRVPPL-UHFFFAOYSA-N 311.359 1.027 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1ccc(F)cc1 81864879 DEUSFINPHJYEFB-JYJNAYRXSA-N 307.365 1.833 0 40 DDAB CCn1cc(C(=O)n2ccnc2)c(=O)c2cc3c(cc21)OCO3 13687536 QLADZRAEUZOUPE-UHFFFAOYSA-N 311.297 1.635 0 40 DDAB CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)Cn1ccnc1 69348742 AFNZGXRRZFLUAS-GTJPDFRWSA-N 305.403 1.829 0 40 DDAB CCCCn1c(N)c(N(CC)C(=O)CC(C)C)c(=O)[nH]c1=O 8343014 UIIBZDWBYQBTJV-UHFFFAOYSA-N 310.398 1.318 0 40 DDAB CC1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 17084699 CVMOMMJVSMXVOG-CYBMUJFWSA-N 316.357 1.779 0 40 DDAB Cc1nc(COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)no1 71890069 RSYLYVZWVVZKIX-NSHDSACASA-N 301.302 1.474 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)C1=Cc2ccccc2OC1 65405203 DAPWMCKOPVZCID-UHFFFAOYSA-N 310.357 1.659 0 40 DDAB O=C(Nn1cnc2ccccc2c1=O)[C@@H]1COc2ccccc2O1 14095329 RHSQOXAYFGVEME-HNNXBMFYSA-N 323.308 1.307 0 40 DDAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(C)no3)C2=O)cc1 69564968 WGFHUZAFGLPMED-MRXNPFEDSA-N 315.329 1.959 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 14139440 DUENWHOJLIBGGK-GFCCVEGCSA-N 323.360 1.374 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3cc(C)no3)CC2)nn1 69598313 MOOQULHKACSNJH-UHFFFAOYSA-N 301.350 1.434 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCc2ccccc2C1 69949417 HFCBYOAYDIDMPY-GOSISDBHSA-N 324.428 1.932 0 40 DDAB COC(=O)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 17411945 LNWBWTFFCPQEQW-MRVPVSSYSA-N 316.151 1.506 0 40 DDAB CCOc1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 24087815 WVQSXJLCWOXZAX-LLVKDONJSA-N 322.361 1.155 0 40 DDAB CNC(=O)Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71284985 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O=C(CCOC[C@H]1CCCO1)N1CCC[C@@H](c2ccn[nH]2)C1 75582356 FAMUJHSXILCEFA-ZIAGYGMSSA-N 307.394 1.701 0 40 DDAB O=C(NCc1ccccc1)c1cc(N2CCC[C@@H]2CO)ccn1 84539245 VPWQLBXXCARWSF-MRXNPFEDSA-N 311.385 1.973 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NCC[C@H](O)C(C)C)CC2=O)cc1 76022713 QHJLAWVLGFLZSM-ZBFHGGJFSA-N 318.417 1.871 0 40 DDAB CS(=O)(=O)CCNC(=O)N1CC[C@@H](Cc2ccccc2)C1 76069886 PIAOGPAPCMMHMG-AWEZNQCLSA-N 310.419 1.305 0 40 DDAB CSC[C@@H](C)CNCc1cnc(N2CCN(C)CC2)nc1 95416674 TWIWXEBMPMOBHQ-ZDUSSCGKSA-N 309.483 1.317 0 40 DDAB Cn1cc(N2CCC[C@H](Nc3cnn(C)c(=O)c3Cl)C2)cn1 76063586 XOIPFDBFXVOXCT-JTQLQIEISA-N 322.800 1.248 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 95465217 YEYFUTBFZQFFOJ-JTQLQIEISA-N 303.337 1.905 0 40 DDAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCOCC1 73891389 XCJWCQJTMGFPJQ-INIZCTEOSA-N 303.406 1.865 0 40 DDAB CC(C)NC(=O)N1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 95963687 XWMDJQACRGZVEH-CQSZACIVSA-N 310.442 1.121 0 40 DDAB CCOC(=O)N1CCN(C(=O)C[C@H](C)c2ccncc2)CC1 79092729 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CCOc1cc(CO)cc(Br)c1OCC(=O)OC 34772898 XXDGBKHDAKSPCH-UHFFFAOYSA-N 319.151 1.892 0 40 DDAB O=C([C@H]1CCCN(c2nccc3occc23)C1)N1CCOCC1 156747457 UMUFRTMKGLEEBD-ZDUSSCGKSA-N 315.373 1.903 0 40 DDAB O=C(O)CNCC1CCN(C(=O)OCc2ccccc2)CC1 79391526 KSYSOBDDICGRCU-UHFFFAOYSA-N 306.362 1.709 0 40 DDAB Cc1ccc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)cc1-n1cnnn1 40287711 CQLOFQNDBXWBMH-VNHYZAJKSA-N 309.373 1.913 0 40 DDAB Cn1cnnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 562428055 WIXXYSBDYARMDX-VIFPVBQESA-N 314.315 1.937 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(OC)n2)cn1 225680016 IHLMZGKNBZYIFS-UHFFFAOYSA-N 323.374 1.315 0 40 DDAB CC1CCN(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 45744899 XHODJLOPBHOTNE-LSDHHAIUSA-N 317.499 1.673 0 40 DDAB COC(=O)[C@@H](c1ccccc1F)N1CCN(CC(F)F)CC1 195531715 ZPQLOFLGGMRULA-CQSZACIVSA-N 316.323 1.923 0 40 DDAB COC(=O)c1cc2cc(NC(=S)NCCO)ccc2s1 225212158 CTWVIBHLMQBBHK-UHFFFAOYSA-N 310.400 1.967 0 40 DDAB COC(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)OC 225449604 CGCIXGPOYFZKHH-UHFFFAOYSA-N 302.256 1.978 0 40 DDAB O=C([C@H]1CC=CCC1)N1CCN(C[C@H](O)c2ccco2)CC1 85436790 KYXNTSQUQWAOAJ-GJZGRUSLSA-N 304.390 1.814 0 40 DDAB CN(CCCS(C)(=O)=O)C(=O)c1cccnc1C(F)(F)F 195578087 IJQUZGNAHRRUID-UHFFFAOYSA-N 324.324 1.607 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)N(C)CCc1cccs1 96440513 IAZLSPOGZPINOP-LBPRGKRZSA-N 309.435 1.943 0 40 DDAB Cn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)cn1 96040595 GOQBNAWGVGYSTR-BBWFWOEESA-N 304.438 1.495 0 40 DDAB CC(C)[C@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCS1 96432265 HYRFDBHKLGLZIN-CYBMUJFWSA-N 317.418 1.876 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)CC1CC1)CC2 96217828 PCVMPATYTQVFSP-KRWDZBQOSA-N 308.422 1.807 0 40 DDAB Cc1ccc2c(c1)[C@@H](NCCN1CCCS1(=O)=O)[C@H](C)C2 230306321 GBLQDOGNHTUWTR-CJNGLKHVSA-N 308.447 1.853 0 40 DDAB CN1C(=O)NC2(CCN(CCCc3cccc(F)c3)CC2)C1=O 97233700 UJJBURBLQCSILB-UHFFFAOYSA-N 319.380 1.775 0 40 DDAB Cn1cc([C@@H]2OCC[C@H]2CNC(=O)N2CCC(F)(F)C2)cn1 334123548 NJBNFZIIXCWZAG-CMPLNLGQSA-N 314.336 1.548 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@H](CCN3S(=O)(=O)C3CC3)C2)o1 96249197 SUPTUHUBNGYOFG-CZUORRHYSA-N 324.446 1.976 0 40 DDAB COC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ccnn2C1 96188898 LBKSPCLVPIZOKP-AWEZNQCLSA-N 317.364 1.870 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2N1C(C)C 96054232 XCNVCDQLKOECLP-HRCADAONSA-N 302.422 1.111 0 40 DDAB COCC(=O)N1CC[C@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 96050934 DHWNVUGLOBCHRB-HNNXBMFYSA-N 323.418 1.049 0 40 DDAB CN1CC[C@@H](NC(=O)NCC2(CO)CCC2)[C@H]1c1ccccc1 248500949 SYMFFWPLLUDFJP-HZPDHXFCSA-N 317.433 1.894 0 40 DDAB COc1cccc(CC(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1 257326629 WXYMEBCXGRVTDR-BFYDXBDKSA-N 307.390 1.625 0 40 DDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C2CCOCC2)n1 257248851 JFMVBCBNABBNJW-QGZVFWFLSA-N 318.421 1.635 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cccn2C)n1 257292892 QNJSQESPAHWLLU-ZDUSSCGKSA-N 302.334 1.043 0 40 DDAB Cc1nnsc1C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 252494690 OBVWYAZOVOCMBM-ZDUSSCGKSA-N 316.386 1.802 0 40 DDAB CN1CCN(c2nn(-c3ccc(Cl)cc3)nc2C(=O)O)CC1 256047283 LPWDIGMBWKQFGJ-UHFFFAOYSA-N 321.768 1.371 0 40 DDAB Cc1cc(O)nc([C@H]2CN(Cc3ncccc3F)CCO2)n1 257289908 QASSHGJUNNTPKD-CYBMUJFWSA-N 304.325 1.598 0 40 DDAB Cn1cc([C@@H](O)C(=O)NCCCSc2ccc(F)cc2)cn1 252489612 JUSDNYCDIHCXQM-CQSZACIVSA-N 323.393 1.891 0 40 DDAB Cn1nc([C@H]2CCCN(C[C@H]3CCOC3)C2)c2nccnc21 257225305 FFROMVGROGKPKJ-OLZOCXBDSA-N 301.394 1.579 0 40 DDAB Cn1ccnc1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257326216 WWHSRDQFAHYZAB-INIZCTEOSA-N 315.377 1.556 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cnc(O)c(Cl)c3)CCO2)n1 257337679 YTXVFQRTJAKDME-LLVKDONJSA-N 322.752 1.686 0 40 DDAB CN(C)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)ncn1 278662711 XGZKFUGHLNPNPZ-UHFFFAOYSA-N 314.345 1.956 0 40 DDAB CC(C)O[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)CC2)C1(C)C 390833045 BBTHAWWYQSSKSW-STQMWFEESA-N 311.426 1.485 0 40 DDAB CN(C)C(=O)CN1Cc2cccn2C[C@@H](CCOCC2CC2)C1 585095219 IOGIGUCXWUGZNZ-INIZCTEOSA-N 319.449 1.825 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(C)nc1)[C@@H](C)C2 585098018 QKYOTWVBWPTQOA-LBPRGKRZSA-N 315.377 1.215 0 40 DDAB O=C(CCc1nccs1)N[C@H]1CCCc2[nH]c(=O)ccc21 55189635 NRBUMVQGGXZRKY-LBPRGKRZSA-N 303.387 1.958 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)c1ccc(F)cc1F 65591375 ALKHPOYEYGJLDP-OAHLLOKOSA-N 324.375 1.896 0 40 DDAB CCSc1cc(C(=O)NC[C@H]2CCN(CCOC)C2)ccn1 65622608 RHZFZXQZBCDILQ-CYBMUJFWSA-N 323.462 1.892 0 40 DDAB O[C@@H]1O[C@H]([C@@H]2N[C@@H]2c2cccs2)N2[C@H](c3cccs3)[C@H]12 90716023 RYUJUWWXTHBUSR-DTRARLAFSA-N 306.412 1.923 0 40 DDAB CC(=O)N[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1 95953825 VPIJMECFRHCRRT-OAHLLOKOSA-N 310.419 1.159 0 40 DDAB CN(C)CCNC(=O)[C@@H]1CN(C)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595714 KNLCODOAGWIIPN-YCPHGPKFSA-N 321.396 1.115 0 40 DDAB COC[C@H]1O[C@@H](Nc2ccccc2)[C@@H](OC)[C@@H](OC)[C@H]1OC 5011038 WIBKTLZRZYGDIV-OLMNGRFOSA-N 311.378 1.515 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)nc2)cc1 15756116 MGTFKCWXDBGCJL-UHFFFAOYSA-N 321.358 1.251 0 40 DDAB Cc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1 16362709 NWLZDZJJTHZWGI-UHFFFAOYSA-N 304.415 1.975 0 40 DDAB CC(=O)N[C@H]([C@H]1C(=O)N(C)N=C1C)C(Cl)(Cl)Cl 16607641 MNOADYYQGIVNDM-NKWVEPMBSA-N 300.573 1.325 0 40 DDAB Cc1cc(C)cc(OCC(=O)NCCCN2CCOCC2)c1 19877123 XUBDGIHJSLXNDL-UHFFFAOYSA-N 306.406 1.521 0 40 DDAB COc1ccc(/C=C2/C(=O)N=C(NC(C)=O)N2C)cc1OC 5602228 YMDDLMZABDAVIS-XFFZJAGNSA-N 303.318 1.009 0 40 DDAB Cn1nccc1-c1ccccc1CN1CCC[C@](O)(CO)C1 574735957 TZKICAOBWKSXOV-QGZVFWFLSA-N 301.390 1.406 0 40 DDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)OCC1CCC1 390829917 HLXMNMARJOXTIA-LBPRGKRZSA-N 316.365 1.229 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 5878492 YOGIIODKNJQZQH-UHFFFAOYSA-N 300.314 1.169 0 40 DDAB Cc1cccc(CC(=O)NC2CN(c3nnc(C)s3)C2)c1 1888853250 FHMWUFLHPFRLMR-UHFFFAOYSA-N 302.403 1.702 0 40 DDAB O=S(=O)(NC1CCN(c2cc(C3CC3)ncn2)CC1)C1CC1 1888866623 KNDWWFKBSXHAFC-UHFFFAOYSA-N 322.434 1.405 0 40 DDAB Cc1noc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)n1 29567670 YZRZCBRCHDQQBZ-UHFFFAOYSA-N 314.345 1.383 0 40 DDAB COc1cccc(-n2nnc(C(=O)NCC(F)(F)F)c2C)c1 32979379 FKOPSTVGXQFAND-UHFFFAOYSA-N 314.267 1.876 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCO[C@H](C)C2)c1C 37205278 OBNMOKZJRKCAHT-SKDRFNHKSA-N 308.378 1.710 0 40 DDAB CN1C(=O)COc2ccccc2CCCCO[C@@H]2CNC[C@@H]21 2037981016 QQGLYSXNYGFMNR-GOEBONIOSA-N 304.390 1.217 0 40 DDAB CCS(=O)(=O)NC1CC2(CCN(Cc3cccnc3)CC2)C1 2056226272 OGPCJRICPWQIMB-UHFFFAOYSA-N 323.462 1.766 0 40 DDAB COCc1cnc2n1CCN(C(=O)Cn1cc(Cl)cn1)[C@H]2C 1565553412 YAQGEXYYOJIXPT-JTQLQIEISA-N 323.784 1.483 0 40 DDAB CCN(CC)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1 4940930 ANABPUDKOMZUOM-UHFFFAOYSA-N 314.407 1.097 0 40 DDAB Cn1cnc(S(=O)(=O)NCc2ccc(-c3ccco3)nc2)c1 225753544 SUPYNTLUKUBHPB-UHFFFAOYSA-N 318.358 1.554 0 40 DDAB O=c1cc(Cn2nnc(-c3ccccc3)n2)nc2sccn12 5325827 CTGIUMWUNGWSGJ-UHFFFAOYSA-N 310.342 1.458 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1cccc(F)c1 40286749 OOUJTSZCUWOTDJ-UHFFFAOYSA-N 304.325 1.431 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NCCc2cccc3cccnc23)C1 45410821 CSPAJFKEEIKYRZ-AWEZNQCLSA-N 312.373 1.294 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 557833 AJYWOGAYRQMHOV-UHFFFAOYSA-N 310.770 1.473 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 40465633 YDLIWTAKVQPFDY-CYBMUJFWSA-N 318.373 1.599 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)c1cnn(C)c1C)CC2 31239758 LJTCMNOILKJZNS-UHFFFAOYSA-N 315.373 1.944 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc(Br)cc1 40525294 NWVCQLLQAQDVDB-UHFFFAOYSA-N 300.156 1.707 0 40 DDAB CO[C@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@@H]3C1)OCO5 3197443 YGPRSGKVLATIHT-RGXXSHLXSA-N 301.342 1.187 0 40 DDAB in-vitro O=C(NCc1cccnc1)c1cn(CCc2ccccc2)nn1 4093273 VHJWMNZGMCXGFL-UHFFFAOYSA-N 307.357 1.846 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1Cl 6953193 NIBRQAKIEUAKDN-NSHDSACASA-N 309.797 1.879 0 40 DDAB CN(C)CCCNC(=O)c1nc(-c2c[nH]c3ccccc23)no1 20726614 GAQGIHOHBKXJQM-UHFFFAOYSA-N 313.361 1.899 0 40 DDAB CC(C)N1C(=O)C[C@@H](Nc2ncc(Br)cn2)C1=O 101455147 XJXISSGSWDWHOP-MRVPVSSYSA-N 313.155 1.187 0 40 DDAB CS(=O)(=O)Cc1cccc(C(=O)NCCc2ccccn2)c1 21183775 KTUCNYIPWQMMPY-UHFFFAOYSA-N 318.398 1.599 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 58049227 WIWDMQGXOXTHOV-GFCCVEGCSA-N 315.370 1.371 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 69877640 XBNMCIRQTYSDCP-MAZHCROVSA-N 306.381 1.454 0 40 DDAB CNC(=O)c1ccc2c(c1)C1(CCN(CC(C)C)CC1)C(=O)N2 105220477 NDLFJRORLCEWMG-UHFFFAOYSA-N 315.417 1.988 0 40 DDAB Cn1nc(C(=O)N2CCCSc3ccccc32)ccc1=O 32897169 WFELLAOINODTLY-UHFFFAOYSA-N 301.371 1.923 0 40 DDAB COc1ccc(OC)c(NC(=S)NCC(OC)OC)c1 477832 YRZLLCRHSYTTLO-UHFFFAOYSA-N 300.380 1.609 0 40 DDAB COCCNC(=S)N1CCN(c2cc(C)ccc2C)CC1 9877050 BTKGAVYGDLAHNJ-UHFFFAOYSA-N 307.463 1.946 0 40 DDAB O=C(COCCOc1ccccc1)NCCNc1ncccn1 52776056 IVAONXOAQWACOM-UHFFFAOYSA-N 316.361 1.100 0 40 DDAB CCn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CC(C)(C)C3 22610580 BFZJRMBMQOCUDW-UHFFFAOYSA-N 301.346 1.270 0 40 DDAB CCN(CC)c1ccc(N2C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 54005057 RKRJQOPSYMMUFX-KGLIPLIRSA-N 323.418 1.228 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)N[C@H](C)c1nncn1C 46961664 ANNOYNUKQDNOMW-CYBMUJFWSA-N 317.393 1.871 0 40 DDAB C[C@@H](Cn1cccn1)NCc1ccc(-n2cncn2)c(F)c1 42227926 FGGZVUHFQXVLFB-LBPRGKRZSA-N 300.341 1.781 0 40 DDAB COC(=O)Nc1ccc(OCC(=O)NCC(F)(F)F)cc1 54247937 AXZXZGSPLAAVGV-UHFFFAOYSA-N 306.240 1.922 0 40 DDAB CN(Cc1cnccn1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23310589 SPOXLZRJIVOTJZ-MSOLQXFVSA-N 324.428 1.645 0 40 DDAB CN(C)C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 107746799 IBVRTKCFJBEJJL-GJZGRUSLSA-N 304.394 1.038 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cn1 23990068 ZBBFRVHORKIDDI-UHFFFAOYSA-N 321.358 1.094 0 40 DDAB CN(C)[C@H](CNC(=O)[C@H]1[C@H](C(=O)O)C1(C)C)c1ccccc1 106711997 RYMZCSDNXOHGBH-MGPQQGTHSA-N 304.390 1.762 0 40 DDAB COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341 1707685 RBOXVHNMENFORY-KEMUOJQUSA-N 301.386 1.725 0 40 DDAB in-vitro COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1 3173338 ZZQSRFASBWWWCX-UHFFFAOYSA-N 323.326 1.900 0 40 DDAB CN1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1=O 44709579 SBXKYNKJNYCRBN-DZGCQCFKSA-N 320.364 1.594 0 40 DDAB CN(Cc1ccn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1 44976083 KSFPPYZRSPUJFR-KRWDZBQOSA-N 311.389 1.562 0 40 DDAB CCn1cnnc1CNC(=O)N[C@H](C)CCc1ccc(O)cc1 44967520 AHAXCVQOFVVHGF-GFCCVEGCSA-N 317.393 1.824 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)[C@@H]1CCCO1 27870199 KGQBLCNMHCRKCW-JSGCOSHPSA-N 318.373 1.486 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)[C@H]1CCCO1 27870206 KGQBLCNMHCRKCW-TZMCWYRMSA-N 318.373 1.486 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1ccccc1Cl 58367354 MGNYLZDNPLXPTR-NEPJUHHUSA-N 324.808 1.969 0 40 DDAB COc1ccc([C@H](C)NC(=O)c2ccc(=O)[nH]c2)c(OC)c1 45241399 SNFRNDRBHUMFIZ-JTQLQIEISA-N 302.330 1.883 0 40 DDAB CC(C)c1noc(CS(=O)(=O)CC(=O)NC2CCCC2)n1 58607500 ZMUZGWGLUXSOPC-UHFFFAOYSA-N 315.395 1.167 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)no1 3319511 JYAOYMGMLCFRRW-CQSZACIVSA-N 308.338 1.278 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H]1Cc2ccccc2O1 48303321 LRESDDBXSJONLA-CQSZACIVSA-N 300.362 1.576 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)NC1=NCCS1 8428118 RKZUITFKZKFIJX-UHFFFAOYSA-N 305.359 1.021 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1 49192378 PEIYHJFSINEFEP-HNNXBMFYSA-N 301.390 1.768 0 40 DDAB Cn1c(O)c(C(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 13957396 ITWIXIUHFKBBCY-UHFFFAOYSA-N 322.364 1.970 0 40 DDAB Cc1nc(COC(=O)CN2C(=O)c3ccccc3C2=O)cs1 6354341 LCMRLFYIMDWASV-UHFFFAOYSA-N 316.338 1.791 0 40 DDAB Cn1ncc2c(N3CCCN(CC(F)(F)F)CC3)ncnc21 65439610 LADLOJKFPYMEFR-UHFFFAOYSA-N 314.315 1.438 0 40 DDAB CC(C)c1noc(CN2CCCC[C@H]2CNS(C)(=O)=O)n1 65586581 OVGDJXPWJPFNEC-NSHDSACASA-N 316.427 1.097 0 40 DDAB O[C@@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccc(F)c(F)c1 69371989 WJVGXVUHNHIHBT-CJNGLKHVSA-N 323.343 1.596 0 40 DDAB O=C(O)[C@@H]1C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 5428606 ASKYUNKQJIMTOK-NXEZZACHSA-N 303.236 1.922 0 40 DDAB O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1 23955864 PUUBVVIWJMHEHN-UHFFFAOYSA-N 311.385 1.844 0 40 DDAB Cc1csc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)n1 6653761 LMLGYTNXIIJXMD-UHFFFAOYSA-N 300.343 1.869 0 40 DDAB Cc1ccc2c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)coc2c1C 6809895 LPQFIFRNRPFQNE-CYBMUJFWSA-N 321.398 1.895 0 40 DDAB Cc1cnn(CCC(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)c1 69581468 JNODBSGIPPDDJK-UHFFFAOYSA-N 317.370 1.978 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@H](C)O[C@H](C)C3)cnc12 17327821 KOPOUPYOGSBIIT-BETUJISGSA-N 315.373 1.341 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)CC1 69895048 DCXBHGPJKDPYDS-KGLIPLIRSA-N 308.397 1.529 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)ccc2OC)C1=O 8707194 VTUGQIJXYRGZHX-MRXNPFEDSA-N 319.361 1.663 0 40 DDAB Cc1ccccc1COC1CCN(S(=O)(=O)N(C)C)CC1 92266647 CBARZCDPHXKGFF-UHFFFAOYSA-N 312.435 1.782 0 40 DDAB O=C(NCC1(O)CCOCC1)c1cccc(Br)c1 70638907 BVYGGIZHXJMVQG-UHFFFAOYSA-N 314.179 1.720 0 40 DDAB CC(C)(C)c1n[nH]cc1C(=O)N1CCC[C@@H](N2CCNC2=O)C1 550022999 BOGIVKDWRAXESE-LLVKDONJSA-N 319.409 1.337 0 40 DDAB COc1cc2c(cc1OC)CC(=O)N(CCC1OCCO1)CC2 66351912 WBLSXQWVJABURL-UHFFFAOYSA-N 321.373 1.394 0 40 DDAB O=C(NC[C@H]1C[C@]12CCc1ccccc12)NC[C@H](O)C1CC1 89858012 YHEPHCFEPYZPHO-UWWQBHOKSA-N 300.402 1.961 0 40 DDAB Cc1cc(F)ccc1NCC(=O)NC[C@@H]1CCS(=O)(=O)C1 84093448 FFWKGIQFIQOJKW-NSHDSACASA-N 314.382 1.097 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1c1cnn(C)c1 71797291 SBABUYNSRANVQQ-CQSZACIVSA-N 316.409 1.546 0 40 DDAB C[S@@](=O)CCCNC(=O)Cc1cccc(Br)c1 71896500 FJDWMFOBKUXGMI-KRWDZBQOSA-N 318.236 1.876 0 40 DDAB C[C@H]1CN(C(=O)c2cnc3sccn3c2=O)CC(C)(C)O1 71831148 HJNXPEGLJYZYEV-VIFPVBQESA-N 307.375 1.396 0 40 DDAB CC[C@H]1CN(CCOc2cccc(F)c2)CCN1C[C@@H](C)O 72279770 NAMCTFSJKVFXLY-ZBFHGGJFSA-N 310.413 1.982 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)no1 72231709 MUIPZQGIRWCZLI-CYBMUJFWSA-N 303.366 1.761 0 40 DDAB CN1CCC[C@H](NC(=O)CSCC(=O)c2ccccc2)C1 72278384 YQAHCFAWPTZXAY-AWEZNQCLSA-N 306.431 1.813 0 40 DDAB CSc1cccc(NC(=O)Nc2ccn(CC(N)=O)n2)c1 97001941 TZLLOSZBKCYTAV-UHFFFAOYSA-N 305.363 1.734 0 40 DDAB O=C(NC1CCCC1)[C@@H]1CCN1S(=O)(=O)c1ccccc1 97134284 FEEIFLWVJZLDPR-AWEZNQCLSA-N 308.403 1.508 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C 89978100 YEUSDBKKOGLAMP-TVQRCGJNSA-N 314.332 1.635 0 40 DDAB CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)C1=O 84441003 GLLSHMKRUWYFNQ-CYBMUJFWSA-N 324.450 1.052 0 40 DDAB CC[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H]1N(C)C 89948556 KLOWVMQPCQXKIC-SMDDNHRTSA-N 317.389 1.430 0 40 DDAB CN(C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCOC1=O 75603703 GNIRIKDVAVXBIL-CHWSQXEVSA-N 310.419 1.369 0 40 DDAB O=C(C1CC1)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 95457027 ZWDHUFLLEDICIR-GOSISDBHSA-N 313.445 1.815 0 40 DDAB C/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1n[nH]c(=O)[nH]1 95443142 QYOXNVMICXVKOX-HJWRWDBZSA-N 306.753 1.514 0 40 DDAB CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCOc3ccccc32)C1 84791012 QHNJSEVYXASCHO-GXTWGEPZSA-N 317.389 1.473 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1N1CCOCC1 84736009 BLMHUAJYNQBASV-XJKSGUPXSA-N 319.405 1.273 0 40 DDAB C[C@@H](c1cccc2ccccc12)N(C)C(=O)Cn1ncn(C)c1=O 95995409 ACSNVUZDGTUDOQ-ZDUSSCGKSA-N 324.384 1.955 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 95993968 HJXNUNJEILACGS-CYBMUJFWSA-N 314.382 1.669 0 40 DDAB O=C(NCc1csc(C2CC2)n1)N[C@H]1CC(=O)N(C2CC2)C1 78964829 IVTJALDBLJPHNZ-JTQLQIEISA-N 320.418 1.583 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78901501 QZWZIEYKEACNJS-JTQLQIEISA-N 317.349 1.133 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1 73118119 XHPKBRLKOUKUKV-SNVBAGLBSA-N 319.434 1.148 0 40 DDAB COC(=O)CSc1ncn(-c2cc(C)nc(SC)n2)n1 524732728 XLVYUPKLDONJMS-UHFFFAOYSA-N 311.392 1.353 0 40 DDAB COCCc1nnc(NC(=O)COc2ccc(Cl)cc2)o1 70635611 KDPSYUQCQGVLQS-UHFFFAOYSA-N 311.725 1.929 0 40 DDAB COCC(=O)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377808 SDULIRRLLHMDFB-LBPRGKRZSA-N 314.349 1.320 0 40 DDAB CC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1c(C)noc1C 534284564 VLCDEHLDDLKUQG-LLVKDONJSA-N 315.333 1.921 0 40 DDAB O=C(NCCCn1ccnc1)c1ccc(Cn2cccn2)cc1 32611302 DKTJRSNGFOAKFR-UHFFFAOYSA-N 309.373 1.948 0 40 DDAB O=C(Cc1cccc2ccccc12)NCCn1ncccc1=O 36704691 AIFPHGZCKCBPJU-UHFFFAOYSA-N 307.353 1.755 0 40 DDAB COC[C@@H](O)CN1CCN(Cc2cccc3ccccc23)CC1 72403483 FKRIKVFBFXTGQQ-SFHVURJKSA-N 314.429 1.965 0 40 DDAB CC(C)n1cc(S(=O)(=O)Nc2nnc(C3CC3)s2)cn1 72239131 UFQGSCLRIGHHDZ-UHFFFAOYSA-N 313.408 1.994 0 40 DDAB NCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392980 BOGMAWYXBSOEML-OAHLLOKOSA-N 317.389 1.347 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(NCc2snnc2C)nc(C)n1 72387651 DWLDGJPIRYFXKG-LBPRGKRZSA-N 318.406 1.850 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2c[nH]c3ccccc23)CCO1 72379555 ICISXCBVABBBKQ-KRWDZBQOSA-N 301.390 1.847 0 40 DDAB COc1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1F 41621871 PWUFLERXMWRRJW-LBPRGKRZSA-N 316.398 1.348 0 40 DDAB Cn1cnnc1CN(CCC(=O)O)Cc1cccc(F)c1F 569817835 APYSRAJNDDVDJH-UHFFFAOYSA-N 310.304 1.570 0 40 DDAB CN(CCN1CCN(C2CCOCC2)CC1)c1ccccc1 85826517 GYTDKKJMXIOGQV-UHFFFAOYSA-N 303.450 1.919 0 40 DDAB COc1ccc(-n2nnc(C(=O)Nc3nccs3)n2)cc1 75163486 KXSBEPHPIPGECM-UHFFFAOYSA-N 302.319 1.380 0 40 DDAB Cc1c(C(=O)Nc2cccc3c2CNC3)nnn1-c1ccn(C)n1 1579527837 CGJGVAWNTQRTCY-UHFFFAOYSA-N 323.360 1.165 0 40 DDAB Cc1noc(CNC(=O)C2(c3ccccc3)CCOCC2)n1 44454776 HYYKJVNTKVYLMK-UHFFFAOYSA-N 301.346 1.743 0 40 DDAB COc1ccc(-n2nc(C(C)=O)cc(C(=O)O)c2=O)cc1OC 225966657 MSXZZXAEFJWEMI-UHFFFAOYSA-N 318.285 1.151 0 40 DDAB C[C@H]1CN(CCN2C(=O)CCC2=O)[C@H](c2ccccc2)CO1 96441768 AARVKRRCYDLEIZ-ZFWWWQNUSA-N 302.374 1.597 0 40 DDAB CCS(=O)(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 96111207 JDVKXUWACPETET-WDEREUQCSA-N 300.405 1.277 0 40 DDAB COc1ccc([C@@H](O)[C@](C)(Br)S(C)(=O)=O)cc1 96521314 BGETZCMDXKKPLZ-GHMZBOCLSA-N 323.208 1.884 0 40 DDAB Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cnn(C)c1 96063923 BJPBVDGDAUPDBK-OLZOCXBDSA-N 314.345 1.342 0 40 DDAB CC[C@@H](C)N(C)C(=O)c1nc2c(o1)CN(C(=O)NC(C)C)C2 96254372 MAMZMGXHUQGBJY-SNVBAGLBSA-N 308.382 1.979 0 40 DDAB O=C([C@H]1CN(Cc2ccoc2)C[C@H]2OCC[C@H]21)N1CCCCO1 97953646 GLMSYCXTYCFGTO-HRCADAONSA-N 320.389 1.671 0 40 DDAB Cc1ccc(N2C[C@]3(CCN(C(=O)c4cc[nH]n4)C3)CC2=O)cc1 96090361 PYWSUSOYTVGHIU-GOSISDBHSA-N 324.384 1.987 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1ccc(OC)cc1 96245782 RXQMCKFRCJJWBD-CABCVRRESA-N 318.373 1.157 0 40 DDAB CCCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344236 QFQZBBHUBIVBBP-JTQLQIEISA-N 318.352 1.971 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3nccs3)C2)C1 96051932 IVOINTDQENNFQE-UKRRQHHQSA-N 311.451 1.312 0 40 DDAB Cn1cc(CN2CC[C@H]3O[C@H](C(=O)NCC4CC4)CC[C@H]32)cn1 96186932 FLBBFKMCVKNGMC-OAGGEKHMSA-N 318.421 1.068 0 40 DDAB NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 96444798 RLGLTEHEHIDBBB-GHMZBOCLSA-N 316.748 1.515 0 40 DDAB CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCCO2)c1 97374306 RVPBWVXOOWYKNE-JTQLQIEISA-N 315.167 1.748 0 40 DDAB Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CCN2c1nncs1 96064080 QSIHJJAMMOQOOT-WDEREUQCSA-N 305.363 1.328 0 40 DDAB CS(=O)(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247548108 VDEJACYCGZINTI-GFCCVEGCSA-N 314.432 1.118 0 40 DDAB Cc1c(C(=O)N2CC[C@@](O)(CN(C)C)C2)c2ccccc2n1C 257294052 QSGDXUXRFGGVNY-GOSISDBHSA-N 315.417 1.625 0 40 DDAB Cc1ccn(CCC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)n1 257310358 UETJCTVQHXPKEX-CYBMUJFWSA-N 303.366 1.213 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257264591 LVDMNMKMLWQKNY-ZDUSSCGKSA-N 303.366 1.201 0 40 DDAB Cc1nccc([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)n1 257328342 XFFBDWAABILYDA-CQSZACIVSA-N 313.405 1.857 0 40 DDAB COc1cnccc1N1CCN(c2cccc(C(=O)O)n2)CC1 263388321 FKLWMFXAHWVYQO-UHFFFAOYSA-N 314.345 1.510 0 40 DDAB COCc1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 262367290 DWIIJILWJYXYKZ-ZDUSSCGKSA-N 313.375 1.461 0 40 DDAB CNc1ccc(C(=O)N[C@H](CO)c2c(F)cccc2F)cn1 569994874 TWNZFXHYZGRDSM-GFCCVEGCSA-N 307.300 1.865 0 40 DDAB Cn1cc(-c2cc(CNC(=O)c3ccncc3F)ccn2)cn1 575619445 TUUMMPHDIXBNAU-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB O=C(CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1)N1CCCC1 585279442 MJCZVGLCSZBILN-WBVHZDCISA-N 320.408 1.673 0 40 DDAB COCC(=O)N1Cc2cncn2CC[C@@H]1COc1ccccc1 585096926 FQDFPGJDABAKQI-CQSZACIVSA-N 315.373 1.709 0 40 DDAB CN(C(=O)C1(c2ccccc2)CCCC1)[C@@H]1COC[C@@H](O)[C@H]1O 585287341 XZOVDRGBQBAILP-OAGGEKHMSA-N 319.401 1.077 0 40 DDAB CCCC(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 585095929 CTZMPYFSKDEXJF-AWEZNQCLSA-N 316.361 1.476 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)Nc2cnn(CC)c2)CC1 43637067 ZXZFZSSSAUBVEV-ZDUSSCGKSA-N 308.430 1.051 0 40 DDAB C[C@H](CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)N(C)C 46273039 YHBDIKNSVMQLNE-LLVKDONJSA-N 320.368 1.875 0 40 DDAB C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CCO1 49175085 JARPWRRXFZFVSF-SSDOTTSWSA-N 314.183 1.911 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1C 49240881 YRAUWGMVMBATOX-UHFFFAOYSA-N 302.371 1.410 0 40 DDAB C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 65451799 XMUZMPJLNASRAP-NXEZZACHSA-N 311.407 1.493 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Cc2ccc(OC)c(F)c2)CC1 70006437 AAJKIURURJBFRT-CQSZACIVSA-N 324.396 1.292 0 40 DDAB Cn1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cn1 1565522819 RTFUUDGMCRBOOE-RYUDHWBXSA-N 321.406 1.173 0 40 DDAB COCC[C@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 96421227 IGGVSSRYEVIICP-ZDUSSCGKSA-N 323.418 1.884 0 40 DDAB C[C@H](CNC1=NS(=O)(=O)c2ccccc21)CC1(C)OCCO1 80694188 MNQMOKTXKYDKNT-NSHDSACASA-N 324.402 1.514 0 40 DDAB C[C@@H](Sc1nnc(N)s1)C(=O)NCc1cccs1 14129113 RKOWDZIYGNMXRR-ZCFIWIBFSA-N 300.434 1.979 0 40 DDAB COCC(=O)NCCc1nc(C(C)C)ncc1-c1cc(C)no1 19123343 NIHSQVLZVBDLQV-UHFFFAOYSA-N 318.377 1.869 0 40 DDAB COCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 2912027 WOPWCGRYWPAZNW-UHFFFAOYSA-N 303.362 1.807 0 40 DDAB Cc1cc(N2CCN(c3nnc(C)s3)CC2)nc(N(C)C)n1 1888899164 OOEDAWINQUVMQY-UHFFFAOYSA-N 319.438 1.338 0 40 DDAB COC(=O)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 13637692 CUQXDMCTMXMIAS-UHFFFAOYSA-N 314.341 1.553 0 40 DDAB O=C1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1 28852304 JMEQHRCFZQPHJW-UHFFFAOYSA-N 316.188 1.754 0 40 DDAB Cc1ncsc1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037978335 QPIXZULKFTXALS-HNNXBMFYSA-N 323.418 1.305 0 40 DDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(F)c(F)c1 428875 BVSVSSOMSANOCG-UHFFFAOYSA-N 317.251 1.884 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC[C@H](N2C(=O)CSC2=O)C1 206977648 PHWQRJLQWSOZSM-LBPRGKRZSA-N 322.361 1.665 0 40 DDAB O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598259 JZTUYXNVWFISKY-UHFFFAOYSA-N 322.372 1.311 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 2298179000 MEDQDANERNMDAM-HUUCEWRRSA-N 319.453 1.277 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)O[C@H](C)C2)c1C 12693863 ZGKNBKOLTUOROR-AOOOYVTPSA-N 308.378 1.710 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)CCC2 32551706 IROJPEVWEFBKCS-UHFFFAOYSA-N 305.403 1.730 0 40 DDAB C[C@H](Nc1cccc(OCc2ccccn2)c1)C(=O)NC(N)=O 30452920 KGIHYVPWIOJTHS-NSHDSACASA-N 314.345 1.656 0 40 DDAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)N1CCOCC1 36752962 RFQPPMOLQNUDHC-ZDUSSCGKSA-N 324.446 1.174 0 40 DDAB CCc1noc(CN2CCN(C(=O)CC3CCCC3)CC2)n1 40497192 XDUHWNSOJYYVTB-UHFFFAOYSA-N 306.410 1.857 0 40 DDAB COC(=O)[C@H]1C[C@@H](C(=O)OC)c2nc3cc(C)ccc3nc21 1618396 OCLJDSQPMQWWNY-VHSXEESVSA-N 300.314 1.855 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CC(=O)O 2572710 SOSXJQKIIYOJPF-QWHCGFSZSA-N 309.362 1.958 0 40 DDAB CCCS(=O)(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 40511199 BSWZUJDRODHKFC-UHFFFAOYSA-N 312.439 1.392 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCc2ccnc(-n3cccn3)c2)c1 40505460 NELYWPIGNUDAPH-UHFFFAOYSA-N 309.329 1.728 0 40 DDAB COc1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 3634397 DFIXDJRGFPYTRF-CRWXNKLISA-N 305.330 1.190 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1 3659165 VOQWRKPUTZUBCY-UHFFFAOYSA-N 305.363 1.802 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 246253 GOWHUHLKBKFDKK-UHFFFAOYSA-N 305.739 1.059 0 40 DDAB in-vitro O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCCO2 4104064 NCFXABHOVANLIS-LOWVWBTDSA-N 309.387 1.925 0 40 DDAB CC(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 7496861 ZAOKAZRPTBDVKO-UHFFFAOYSA-N 315.295 1.856 0 40 DDAB O=c1c(NCc2ccncc2)c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1=O 101700466 ZTGFOBMIDLIUFS-IHRRRGAJSA-N 309.369 1.914 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 100525984 MFNGQGUIVNUSNV-VTPLQMEGSA-N 321.329 1.521 0 40 DDAB CC(C)(CNC(=O)NCc1ccc(F)cc1)N1CCOCC1 32862435 JZWDUNVMRJJABU-UHFFFAOYSA-N 309.385 1.736 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc(Br)c1 100173556 QEZKEHCEVBLRMB-BJDJZHNGSA-N 320.142 1.892 0 40 DDAB CCn1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(=O)[nH]c1=O 102781259 DJFQBOYUSQUDJY-UHFFFAOYSA-N 318.358 1.138 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3ccccc3OC)C[C@@H]21 108529361 ALLGFUBQHZFZKA-WMZOPIPTSA-N 320.433 1.617 0 40 DDAB COc1cc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)ccc1C 41903670 QSHMGQWTXHXJDG-HNNXBMFYSA-N 311.403 1.240 0 40 DDAB CC(C)(C)NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 12409145 RGVKQASTOJVCRW-UHFFFAOYSA-N 301.350 1.180 0 40 DDAB CCCCS(=O)(=O)NCCNC(=O)c1ccc(C)c(F)c1 53645823 RAWVEQVXUDBLFL-UHFFFAOYSA-N 316.398 1.583 0 40 DDAB O=C(Cc1cccc(O)c1)N1CCC(N2CCCC2=O)CC1 104941495 VSALVRFESYQKQG-UHFFFAOYSA-N 302.374 1.548 0 40 DDAB O=C(CNC(=O)OCc1ccccc1)NCCCCCCO 34088443 VSEKUOVFAUMMKE-UHFFFAOYSA-N 308.378 1.582 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1 1288090 HGNIFWJTSFNZEX-UHFFFAOYSA-N 313.309 1.889 0 40 DDAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1 8259461 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C[C@@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)[C@H](C)CO1 45448237 KUXOVGXXIHWEOB-GHMZBOCLSA-N 323.418 1.448 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cn1 16130684 FMDPBPJEIXNRFC-UHFFFAOYSA-N 308.315 1.589 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 45540524 TUFMJUMOUJSSMR-BMIGLBTASA-N 307.350 1.351 0 40 DDAB O=S(=O)(NC[C@H]1CCCNC1)c1ccccc1C(F)(F)F 20473823 RRPRDUGCQMLPNH-JTQLQIEISA-N 322.352 1.983 0 40 DDAB Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(N)=O)o2)cc1 11644701 IWOFNRXUMNMIRD-NSHDSACASA-N 302.330 2.000 0 40 DDAB O=C(NCc1ccncc1)c1ccc(Cl)cc1-n1cnnn1 20736663 FETDWEJTQWLQST-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2 100762695 FQJZZPXQTPTNTG-RYUDHWBXSA-N 317.414 1.617 0 40 DDAB O=C(C[C@H](C(=O)O)N1CCOCC1)c1ccc2c(c1)CCCC2 109994638 VIYFBFMJRYUJEV-MRXNPFEDSA-N 317.385 1.924 0 40 DDAB O=C1CN(C(=O)CSc2nncs2)c2ccccc2N1 2647681 ITUSFPQOMOHADV-UHFFFAOYSA-N 306.372 1.616 0 40 DDAB Fc1cnc(N[C@H]2CO[C@@]3(CCN(c4ncccn4)C3)C2)nc1 107786147 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NS(=O)(=O)c1ccc(CNC(=O)NCC2CCCC2)cc1 47619966 OLBIKNTUCBQOLS-UHFFFAOYSA-N 311.407 1.323 0 40 DDAB O=C(c1cncnc1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108535647 QSUVADSNEAJVJS-UHFFFAOYSA-N 324.388 1.764 0 40 DDAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCCC1 12553879 SDMIURRGPMAKOZ-GHMZBOCLSA-N 303.362 1.829 0 40 DDAB COCCCNC(=O)c1ccn(COc2ccc(F)cc2)n1 28575956 UDFOXIYMGWCISX-UHFFFAOYSA-N 307.325 1.825 0 40 DDAB Cn1cc(CCC(=O)N2CCN(Cc3cscn3)CC2)cn1 55450011 COYVHEMOECBGGN-UHFFFAOYSA-N 319.434 1.154 0 40 DDAB O=S(=O)(NCCn1ccnc1)c1ccc2c(c1)CCCC2 25673323 GWQMOYJVBLJMLR-UHFFFAOYSA-N 305.403 1.740 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)N1CCCCCC1)OCC(=O)N2 20491629 MOELOAHZVHSOJL-UHFFFAOYSA-N 324.402 1.891 0 40 DDAB O=C(O)COc1ccc(/C=C2/C(=O)N=C(S)N=C2O)cc1 1853222 OVTYPCLFBHDZDB-UHFFFAOYSA-N 306.299 1.316 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1 48262389 VCKNRPZRDJLYFR-AWEZNQCLSA-N 313.361 1.008 0 40 DDAB COCCn1nc(C(=O)N(C)Cc2ccc(C)o2)ccc1=O 48264350 YDFLJFMYWSWSHK-UHFFFAOYSA-N 305.334 1.063 0 40 DDAB O=C(NCC1CC1)C1CCN(C(=O)NCc2ccco2)CC1 48235944 SBILXQQARRBMHD-UHFFFAOYSA-N 305.378 1.727 0 40 DDAB CC(C)CN(C(C)C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58209994 DNTLSEJRMRXTQD-UHFFFAOYSA-N 323.422 1.717 0 40 DDAB Cn1ccc(C(=O)OCc2cccc3c2OCCO3)cc1=O 58280473 LBJIQPPXOJFRNL-UHFFFAOYSA-N 301.298 1.514 0 40 DDAB COc1cc(CN[C@H](C)CN2CCCC2=O)cc2c1OCO2 44973865 QPGQTCFVLASAQR-LLVKDONJSA-N 306.362 1.524 0 40 DDAB COCCn1cc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cn1 44971263 HFYBOHAKQADBIJ-HNNXBMFYSA-N 318.377 1.693 0 40 DDAB CC1=NN(c2ccc(C(=O)O[C@H]3CCS(=O)(=O)C3)cc2)CC1 58390478 KJPFKYNTGDAEOK-AWEZNQCLSA-N 322.386 1.617 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc(OC)cc1 408732817 ZQBVWLQUCZEOHV-CYBMUJFWSA-N 305.334 1.472 0 40 DDAB CNC(=O)C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCC1 2298985 BZVFSCWADOHKSI-UHFFFAOYSA-N 320.389 1.378 0 40 DDAB COC(=O)[C@@H](C)OC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 12908846 NBMKMOHSJIZMBI-MRVPVSSYSA-N 322.317 1.322 0 40 DDAB NC(=O)CCS(=O)(=O)Cc1coc(-c2cccs2)n1 48643021 GECKFGXNKUCISH-UHFFFAOYSA-N 300.361 1.193 0 40 DDAB COc1ccccc1CNC(=O)Cn1c(=O)cnc2ccccc21 3606670 KKCNOHQBFZFPIK-UHFFFAOYSA-N 323.352 1.722 0 40 DDAB C[C@H](c1cccc(Cl)c1)N1CCN(S(C)(=O)=O)CC1 49332326 RUBXSMBGGDIKEA-LLVKDONJSA-N 302.827 1.978 0 40 DDAB C[C@@H](Cn1cccn1)NC[C@H](O)COc1ccc2c(c1)OCO2 69373797 YDCYHDWCWZUSBE-STQMWFEESA-N 319.361 1.030 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C)c3nnc(C)o3)CCO2)n1 69349832 CLLPFHOPBYZJGQ-JSGCOSHPSA-N 305.382 1.653 0 40 DDAB CNC(=O)[C@H]1CCCN1CC(=O)NCc1ccc(Cl)cc1 69381842 BQWFTSHULPQLRC-CYBMUJFWSA-N 309.797 1.167 0 40 DDAB CCCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)NC1=S 409088680 GLTGJBDCUBZRMS-YHYXMXQVSA-N 320.370 1.892 0 40 DDAB O=C(COC(=O)c1ccc(Cl)s1)NC[C@@H]1CCCO1 4242851 ISFHSRSSDHXZCK-QMMMGPOBSA-N 303.767 1.854 0 40 DDAB CCc1nnc2n1CCN(Cc1cn3c(C)cc(C)nc3n1)C2 69489644 USVVAPIJMAAISD-UHFFFAOYSA-N 311.393 1.516 0 40 DDAB COc1c(C)cnc(CN(C)C(=O)C2=NN(C)C(=O)CC2)c1C 65566406 QFJFKIYYWXNSEN-UHFFFAOYSA-N 318.377 1.274 0 40 DDAB COc1ccc([C@@H]2C[C@H]2C(=O)N(C)CC(=O)N2CCCC2)cc1 69571319 ZSXXXVVPZZUPRI-JKSUJKDBSA-N 316.401 1.880 0 40 DDAB Cc1nnc2n1CCN(Cc1csc(-c3ncccn3)n1)C2 69516592 IFFLGMVLZRXEBB-UHFFFAOYSA-N 313.390 1.516 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69587784 SFJCVMLXNHDFIB-AAEUAGOBSA-N 312.373 1.503 0 40 DDAB C[C@H](O)CN1CCN(CCCc2nc3ccccc3o2)CC1 69627783 ACOAWIUWGFJRDW-AWEZNQCLSA-N 303.406 1.759 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2nccs2)n1 69699801 SNKPQVMTYNXRKB-LBPRGKRZSA-N 320.422 1.455 0 40 DDAB COc1ccccc1C[C@H]1CCCN1CC(=O)N1CCOCC1 69683960 YLZZKCJGSZZZJV-MRXNPFEDSA-N 318.417 1.561 0 40 DDAB CCC(=O)Nc1ccc(C(=O)CSc2n[nH]c(N)n2)cc1 6887968 JYOILOAFFGOUTO-UHFFFAOYSA-N 305.363 1.710 0 40 DDAB Cc1cnn(C[C@@H](C)NCCS(=O)(=O)c2ccccc2)c1 69704306 OMFDHIBZJFDBRD-CQSZACIVSA-N 307.419 1.644 0 40 DDAB CN(C)C(=O)N1CCN(c2cncc(Br)c2)CC1 69744230 VUKTUICQGPHVHD-UHFFFAOYSA-N 313.199 1.648 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cccc3c2ccn3C)CC1 69874967 IBQQSYMSTBFEGA-CYBMUJFWSA-N 301.390 1.317 0 40 DDAB CN(CCc1ccccn1)C(=O)CNC(=O)N1CCCCCC1 67468803 HKYXHWBQFFWNCX-UHFFFAOYSA-N 318.421 1.668 0 40 DDAB Cc1noc(CNC(=O)c2cccc(NC(=O)NC(C)C)c2)n1 69843963 GOMRPFXBYRTYEJ-UHFFFAOYSA-N 317.349 1.838 0 40 DDAB CCC(CC)c1nnc(NC(=O)[C@@H]2CCS(=O)(=O)C2)s1 67982367 DNCBPQIDIJFUGP-SECBINFHSA-N 317.436 1.815 0 40 DDAB Brc1ccc(-c2noc(CCn3cncn3)n2)o1 89799895 DHYSKJVBFJQUMD-UHFFFAOYSA-N 310.111 1.926 0 40 DDAB Cc1nc([C@@H]2CCCN2C[C@H](O)COCc2ccco2)no1 89718202 GHUMMAFGSUXYKB-JSGCOSHPSA-N 307.350 1.686 0 40 DDAB CCC(=O)N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19315889 WAMVNTCQOXVQMC-IONNQARKSA-N 303.617 1.978 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(NC(=O)OC(C)(C)C)C1)C1CC1 71922178 RMIKIODEKAPCFM-KOLCDFICSA-N 311.382 1.189 0 40 DDAB CCCCOc1ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](C)O)cc1 71921331 LGJBCDLRCVPJTK-IUODEOHRSA-N 323.389 1.908 0 40 DDAB CC[C@@H]1CN(C(=O)CN[C@H](C)[C@@H](C)n2cc(C)cn2)CCO1 71882196 NTYZBCKXELNEBQ-RBSFLKMASA-N 308.426 1.368 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCNC(=O)CC1 71839589 NAOOWHGJOAICHX-UHFFFAOYSA-N 320.437 1.437 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 71869768 XXNZRJPEHRRKTK-HIFRSBDPSA-N 316.405 1.193 0 40 DDAB CCC(CC)n1nccc1C(=O)N1CCN(C(=O)N(C)C)CC1 89943217 SAAYRIWIXDMBRQ-UHFFFAOYSA-N 321.425 1.684 0 40 DDAB CCN(C(C)=O)c1nc(CNCCn2cc(C)cn2)cs1 72253103 WGWPQBVOZPOTLQ-UHFFFAOYSA-N 307.423 1.811 0 40 DDAB C[C@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C)CC1 72294550 HWBNLNHBYLCAFC-XETPBLJFSA-N 323.462 1.213 0 40 DDAB CCn1cc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cn1 72284787 MFEGHGKWPMIPMU-AWEZNQCLSA-N 302.382 1.589 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCc2nccn2C1 72278754 JDSSNOZHWKFURB-GXFFZTMASA-N 301.394 1.468 0 40 DDAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cncc(F)c2)cn1 97022468 YKEIEETWMDBTAU-CQSZACIVSA-N 316.336 1.832 0 40 DDAB COc1ccccc1C(=O)N1CCN(c2nc(C)ns2)CC1 84286876 WUMROTMFWWLEIB-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB Cc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)n1C 76092570 VPDYUALFDVHARB-UHFFFAOYSA-N 319.449 1.985 0 40 DDAB CCN(CC)c1ccc(C(=O)NC[C@]2(O)CCSC2)cn1 72310444 ZZSXFGLCSWFMES-OAHLLOKOSA-N 309.435 1.526 0 40 DDAB O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccc(OCC2CC2)cc1 72312782 VIOGEPOVDDNPAS-CABCVRRESA-N 314.385 1.969 0 40 DDAB O=C(CN1CCN(Cc2ccncc2Cl)CC1)N1CCCC1 72304832 JJMBBVONPCUMOW-UHFFFAOYSA-N 322.840 1.475 0 40 DDAB Cc1noc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)n1 77818121 STZXABFEUTVXFG-UHFFFAOYSA-N 314.223 1.050 0 40 DDAB COc1ccccc1-c1ccc(=O)n(CN2CCSCC2)n1 72405573 QBHVCFAKXRBMAB-UHFFFAOYSA-N 317.414 1.925 0 40 DDAB Cn1nc(CC(=O)NCC2CCOCC2)c2ccccc2c1=O 72402413 BEOBYSABDKYBPH-UHFFFAOYSA-N 315.373 1.019 0 40 DDAB COCc1nc(C(=O)OCc2ccc3nn[nH]c3c2)cs1 78767381 BTPZBNHVCOCZSE-UHFFFAOYSA-N 304.331 1.918 0 40 DDAB O=C(C1CC1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 95457026 ZWDHUFLLEDICIR-SFHVURJKSA-N 313.445 1.815 0 40 DDAB O=C(C[C@H]1COCCN1C(=O)c1ccncc1F)c1ccco1 95439883 WIKITOBUNFNGLS-NSHDSACASA-N 318.304 1.928 0 40 DDAB COC(=O)c1cccc(C(=O)N(C)C[C@H](O)C(F)(F)F)c1 95464851 HVKAELNSTDSCLE-JTQLQIEISA-N 305.252 1.468 0 40 DDAB O=c1ccc(C(F)(F)F)nn1C[C@H](O)COc1ccccc1 95437119 DDCOEQABQGZXBN-JTQLQIEISA-N 314.263 1.702 0 40 DDAB CC[C@@H]1C[C@H](C)CN1C(=O)CN1C(=O)NC(CC)(CC)C1=O 73322346 JBWAMWGELAKMEN-NWDGAFQWSA-N 309.410 1.744 0 40 DDAB CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCS(=O)CC1 79048093 FRRLJYJDLMAMEP-UHFFFAOYSA-N 322.430 1.876 0 40 DDAB O=S(=O)(NC1CC1)[C@@H]1CCN(CCc2cccs2)C1 95973135 MZPVRDGGVFPBRY-CYBMUJFWSA-N 300.449 1.447 0 40 DDAB COc1cccc2c1CC[C@H]2N[C@H](C)CC(=O)N1CCOCC1 95969339 ZBFPXQRFUCLSJM-CZUORRHYSA-N 318.417 1.910 0 40 DDAB CN1CCN(C(=O)C2=NN(C)C(=O)CC2)c2ccccc2C1 89382881 AVHIKKIYOAGWBE-UHFFFAOYSA-N 300.362 1.073 0 40 DDAB O=C(CCCc1nc(C2CC2)no1)N1CCN(C2CC2)C(=O)C1 89598195 FQLGAHZIKKUEPH-UHFFFAOYSA-N 318.377 1.103 0 40 DDAB CC(C)C[C@H](C)OCCC(=O)N=c1ccn([C@H]2CCNC2)[nH]1 548672953 UCPVGTWMSDLPET-KBPBESRZSA-N 308.426 1.619 0 40 DDAB CC(C)(CO)C1N2CC3(C)CN1CC(c1ccccc1)(C2)[C@H]3O 35585735 XJQMIFWZLDUIFH-HXQJQUPVSA-N 316.445 1.281 0 40 DDAB biogenic CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cccs2)CC1 127845797 UZPHAVKVLHILQA-LLVKDONJSA-N 310.423 1.234 0 40 DDAB C[C@H](N)C(=O)N1CCC(N(C)C(=O)OCc2ccccc2)CC1 79412782 WJZOYBADOXBNHO-ZDUSSCGKSA-N 319.405 1.593 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)C(=O)O 218555514 LNQLJRDDAPTSHC-GMXVVIOVSA-N 317.794 1.270 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccccc2N)C1 38541215 RPSOEEVYCCKIDJ-WFASDCNBSA-N 320.437 1.868 0 40 DDAB C[C@H]1Cc2c(NC(=O)Cc3cccs3)nn(C)c2NC1=O 35597736 ZKRFFIIPHFAWIU-QMMMGPOBSA-N 304.375 1.794 0 40 DDAB Cc1sc(-n2cnnn2)c(C(=O)NCc2ccco2)c1C 36358685 ATRDJPIEZHLLSJ-UHFFFAOYSA-N 303.347 1.864 0 40 DDAB CC(=O)Nc1nc(C2CN(C(=O)c3cnccn3)C2)cs1 72368319 XQZKAELMJAKNAC-UHFFFAOYSA-N 303.347 1.131 0 40 DDAB C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)[C@H]1C 189993824 ZHRWIQCCTRAWJJ-RYUDHWBXSA-N 302.374 1.750 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)c1csc(NC2CC2)n1 72403297 BMINRZQUYWECOW-UHFFFAOYSA-N 305.407 1.998 0 40 DDAB O=C(NCCc1ccncc1)c1cc(F)ccc1-n1cnnn1 79490161 SWMMBADAVKKYRF-UHFFFAOYSA-N 312.308 1.169 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 73274188 ZCUSDDJVHZLCLI-CXAGYDPISA-N 304.390 1.736 0 40 DDAB CC(=O)NC1CCC(N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 133488573 HYTAYWVTDSQEHO-NRXISQOPSA-N 319.453 1.753 0 40 DDAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223596984 AGTIURRRIMFQDY-CABCVRRESA-N 316.430 1.868 0 40 DDAB Cc1cnn(CCC(=O)N2CCN3CCOc4cccc2c43)c1 329124496 SIXWBODLHYAXSE-UHFFFAOYSA-N 312.373 1.827 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(Cc4ccoc4)C3)C2=O)cn1 96050511 FQVBMEAUUNEJJC-INIZCTEOSA-N 300.362 1.642 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)ncn3C)c[nH]1 95475994 JMWMFGZMWFRHEI-UHFFFAOYSA-N 312.329 1.588 0 40 DDAB CC(C)c1nnc([C@]23COC[C@H]2CN(C(=O)c2cocn2)C3)o1 96110119 RFSVTPQDXSZNPA-MEBBXXQBSA-N 318.333 1.221 0 40 DDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1 96217978 UTFATKOVBPLPJW-CRAIPNDOSA-N 320.433 1.807 0 40 DDAB O=C(Cc1cccnc1)N[C@H]1CCCN(Cc2ccccc2)C1=O 96485634 LTUXLEKHSBNNTB-KRWDZBQOSA-N 323.396 1.932 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cnccn1)C2 96201064 CTZLCPMZJNVWIB-UHFFFAOYSA-N 314.393 1.169 0 40 DDAB Cc1nnc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)o1 96049185 NTZLKKKXDFFXJH-INIZCTEOSA-N 318.377 1.842 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(F)c1F 96420336 JPPJQGQRGUNTIR-BXKDBHETSA-N 312.316 1.571 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2cnccn2)C1 98211989 KJWIYRYAOOQMLO-GFCCVEGCSA-N 301.350 1.086 0 40 DDAB CC(C)N1CCc2c(CNC(=O)c3nccn3C)cncc2C1 96189513 WHRQMWWOXXCBBD-UHFFFAOYSA-N 313.405 1.512 0 40 DDAB CCC[C@H](NC(=O)c1ccc(Br)o1)c1nnn[nH]1 96459593 HWBOOPNZCGZRMX-LURJTMIESA-N 314.143 1.826 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(N)C(=O)O 242548293 LIEZWOARQLCJMM-HOSYDEDBSA-N 303.767 1.023 0 40 DDAB C[C@H]1CN(Cc2nc(-c3cccnc3Cl)no2)CC[C@H]1O 245227479 OKMUEJNICCBMHH-GXSJLCMTSA-N 308.769 1.988 0 40 DDAB CC(=O)N[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1O 257320996 VZQPQGGJKKCUAQ-VXGBXAGGSA-N 304.371 1.223 0 40 DDAB COc1ccccc1[C@@H]1CN(S(=O)(=O)C(C)C)CCN1C 257232880 GMVDURDROQGSEN-AWEZNQCLSA-N 312.435 1.722 0 40 DDAB CC(C)Nc1ncc(F)c(CC2CC3(CNCCOC3)C2)n1 257209082 BOWDDMHKPLKWBS-UHFFFAOYSA-N 308.401 1.995 0 40 DDAB CN(C)c1cc(CC[C@H]2CN(Cc3ncc[nH]3)CCO2)ccn1 257284413 PCPKVKVKDXJQGS-HNNXBMFYSA-N 315.421 1.704 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)n1 257259957 LATWOTMXLHHUFE-NSHDSACASA-N 309.757 1.168 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257340963 ZIGQNEUFRNJYBN-HKUYNNGSSA-N 315.413 1.860 0 40 DDAB COc1nccc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 282657042 MLZLPFBOINFWTO-VIFPVBQESA-N 307.354 1.006 0 40 DDAB CO[C@H]1CN(Cc2ccncc2)C[C@@H]1CC(=O)N1CCCC1 585277870 YNAWVYZKDPZGPS-HOTGVXAUSA-N 303.406 1.541 0 40 DDAB CC(C)Oc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 44456468 DZHKDRYWDREZHO-LBPRGKRZSA-N 311.403 1.638 0 40 DDAB NC(=O)CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 58602194 NOHZLFQMJXYQHC-UHFFFAOYSA-N 314.363 1.349 0 40 DDAB O=C(c1ccccc1Cn1cncn1)N1CCN(C2CC2)CC1 79779290 VNXCKCWJHMWPOM-UHFFFAOYSA-N 311.389 1.247 0 40 DDAB COCCNC(=O)CSc1nncn1-c1cccc(OC)c1 5895316 DOODGUJXCNVPKW-UHFFFAOYSA-N 322.390 1.131 0 40 DDAB Cn1cc(CN2CCn3c(CO)nnc3C2)c2cc(F)ccc21 12328484 SZUIKNNKSFVTLO-UHFFFAOYSA-N 315.352 1.417 0 40 DDAB O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccco1 14257794 JWQBFQSANBGBOY-UHFFFAOYSA-N 302.315 1.576 0 40 DDAB CCCCCCc1c(C)nc(N2CCN(C=O)CC2)[nH]c1=O 14608492 NXDLBVAKDLQSDN-UHFFFAOYSA-N 306.410 1.480 0 40 DDAB Cc1ccc(C)c(N2C(=O)C[C@H](SC[C@H](N)C(=O)O)C2=O)c1 19765595 MFKLKYQIMGMMDR-JQWIXIFHSA-N 322.386 1.080 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2cccnn2)C1 225409694 LDKGMHNYLRLLRQ-ZDUSSCGKSA-N 316.361 1.694 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1ccc(F)c(C)c1)OC 575613910 XWCVVCJEIFDNDI-ZDUSSCGKSA-N 305.371 1.464 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 7608893 AHCUABYYGRCMAN-UHFFFAOYSA-N 322.361 1.420 0 40 DDAB Cc1nc2cc(Cl)ccc2c(=O)n1NC(=O)c1cnccn1 8389673 FDVGGGKZSCZYTM-UHFFFAOYSA-N 315.720 1.532 0 40 DDAB O=C([C@@H]1CN(c2ncnc3sccc23)CCO1)N1CCCC1 1889114182 RGEYEKNWJQEFIA-LBPRGKRZSA-N 318.402 1.519 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc2nccn2n1 1889143339 MOVRIZDBGZNBGN-UHFFFAOYSA-N 322.372 1.655 0 40 DDAB COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565549076 PBQDQNHGENVBAN-RBSFLKMASA-N 308.353 1.558 0 40 DDAB COC[C@H]1CN(C(=O)CCc2ccc[nH]2)Cc2cn(C)nc21 1565549082 PDLNPYSHBKKOSC-CYBMUJFWSA-N 302.378 1.453 0 40 DDAB CCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055714877 WHMBLZIUXSQJBR-GFCCVEGCSA-N 306.410 1.452 0 40 DDAB CN1Cc2nccn2C[C@]12CCN(C(=O)C1CC(F)(F)C1)C2 2055772952 BVLSYPVEOBPWKU-AWEZNQCLSA-N 310.348 1.345 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)c1cccnc1)CC2 2055732523 KSCZTHVUFQYVSJ-LBPRGKRZSA-N 300.362 1.419 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCc1ccc(-c2cccs2)o1 575608358 KAZLMSYRLQDSPC-UHFFFAOYSA-N 318.354 1.773 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCCOc1ccc(F)cc1 585149798 NVEXDBJDTZCNCX-ZIAGYGMSSA-N 322.380 1.729 0 40 DDAB CCOC(=O)c1sc(NC(=O)c2ccc(=O)n(C)n2)cc1C 49959492 RNOWSAJUPHEJDP-UHFFFAOYSA-N 321.358 1.579 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 30584130 RCRFVCXFORHEDQ-GUOLPTJISA-N 312.391 1.223 0 40 DDAB OCCN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1 20189422 OYPSNJAGABADNF-UHFFFAOYSA-N 315.352 1.365 0 40 DDAB Cc1nnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)s1 138377 ZAPUBNDVDORPJJ-SSDOTTSWSA-N 316.342 1.470 0 40 DDAB CN(CC(=O)N1CCC2(CCCCCC2)C1)S(C)(=O)=O 75105938 MBDDEWCXVAGAMO-UHFFFAOYSA-N 302.440 1.451 0 40 DDAB O=C(CCn1cccn1)NC[C@H](c1ccco1)N1CCCC1 40480659 FITIJHJATYDTAP-CQSZACIVSA-N 302.378 1.820 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCc2nnc3n2CCCCC3)c1 40489060 SVFBODBNTRJBKR-UHFFFAOYSA-N 301.350 1.465 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NCCCNC(C)=O 31242503 ZXPRLFHMFJUFNM-UHFFFAOYSA-N 316.361 1.137 0 40 DDAB Cc1c(C)c(CC(=O)N2CC2)c(C)c(C)c1CC(=O)N1CC1 1679542 AEWRLJFSKWRMTB-UHFFFAOYSA-N 300.402 1.690 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)C[C@@H](C)O1 2336940 XQNNHCZGTFJWTC-DTORHVGOSA-N 312.347 1.331 0 40 DDAB CCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CC)cc1 6933900 JTPYUCGPTGTDEJ-GFCCVEGCSA-N 312.435 1.832 0 40 DDAB Cc1nnnn1-c1cccc(NCC(=O)N2CCC[C@H](C)C2)c1 29687362 PCBPOIREBAFPTQ-LBPRGKRZSA-N 314.393 1.641 0 40 DDAB c1cc(-c2nnc3sc(-c4ccc5nnnn5c4)nn23)ccn1 20734307 RKOUEXGFZIQJJA-UHFFFAOYSA-N 321.329 1.353 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108526042 IFNRYNUEXIHIBO-IWCQGFGOSA-N 315.417 1.539 0 40 DDAB Cc1cc(NC(=O)CSc2nncn2CC(F)(F)F)no1 51975051 YXNJLANHEJIKKG-UHFFFAOYSA-N 321.284 1.868 0 40 DDAB CC(C)Nc1nc(NC(C)(C)C)nc(Oc2ccc(=O)[nH]n2)n1 9010293 OBKZJXFPOJUMGK-UHFFFAOYSA-N 319.369 1.778 0 40 DDAB C[C@H](NC(=S)NCCN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 102247243 ZNJGOXRMCODLON-ZQDZILKHSA-N 311.495 1.607 0 40 DDAB CN(Cc1ccccc1N1CCCC1)C(=O)CCNC(N)=O 32821055 WIDTZLWSSITZMD-UHFFFAOYSA-N 304.394 1.304 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 102664036 QYFGPQIWWMPKDY-ZCRGAIPPSA-N 302.374 1.052 0 40 DDAB O=C(Cc1ccccn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721038 JSHUTTBUZUKYGV-BQFCYCMXSA-N 316.401 1.809 0 40 DDAB Cc1ncc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)s1 52829497 HOTMUKGZYGYEJO-UHFFFAOYSA-N 304.379 1.054 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ccccc2)C1 46951069 FCMMDVKCLXYGBO-GOEBONIOSA-N 317.433 1.886 0 40 DDAB O=CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 12321061 DLUVNOCBWSPQLP-AWEZNQCLSA-N 321.764 1.721 0 40 DDAB NC[C@@]1(N2CCOCC2)[C@H]2CCC[C@@]21CNc1ccccc1 102952962 BXXYPDNFTDDLKA-RCCFBDPRSA-N 301.434 1.928 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 22285599 MAJANVPKWSRLOL-GDBMZVCRSA-N 315.417 1.103 0 40 DDAB CS[C@@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 53352115 VFIVJSZSUWQKDG-NSHDSACASA-N 307.419 1.554 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)CN(C)C(=O)c1cccs1 53439164 XSBDBHBZQOCCNU-LBPRGKRZSA-N 310.419 1.848 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 22694264 MJERHOLRVDKHPX-LLVKDONJSA-N 312.439 1.187 0 40 DDAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CC[C@@H](C(N)=O)C1 53894302 ZDVZSJDUNZPEPF-LLVKDONJSA-N 317.320 1.737 0 40 DDAB CCOc1c(Cl)cc(C(=O)NS(C)(=O)=O)cc1OC 42280347 DJYRPPZEJIXWCB-UHFFFAOYSA-N 307.755 1.437 0 40 DDAB CCOC(=O)C1=C(CSc2nccn2C2CC2)NC(=O)NC1 23205935 QIZFSZZZZCWIEM-UHFFFAOYSA-N 322.390 1.440 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccco2)s1 23260630 GLGWVBOLZOSQNP-UHFFFAOYSA-N 314.388 1.456 0 40 DDAB CCOCCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 22511103 SXZCTUASHNQRNS-UHFFFAOYSA-N 315.391 1.319 0 40 DDAB CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCOCC2)cc1 24638532 ZGGGJRISQVVLEU-UHFFFAOYSA-N 312.391 1.302 0 40 DDAB COCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 12533969 HFBNXTJBNLBWOO-UHFFFAOYSA-N 324.381 1.939 0 40 DDAB COc1ccc(OC)c2c1CN(c1cc(C)nc(N)n1)C[C@H]2O 43533519 XIBVFGDTKFWZNT-LLVKDONJSA-N 316.361 1.438 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccs1 25362347 BOQFMMBNXCEYLH-NSHDSACASA-N 302.421 1.178 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CC[C@H](c2ccccc2)C1 107060154 ZKFXJTWPPWTIOF-LZWOXQAQSA-N 324.446 1.830 0 40 DDAB Cc1cc(C)nc(-n2nc(C)cc2OC(=O)/C=C/C(=O)O)n1 10382258 VXZRARNOCHRXAY-SNAWJCMRSA-N 302.290 1.134 0 40 DDAB O=C(CCOc1ccccc1Cl)N1CCN(CCO)CC1 35205916 XQVHEKQUGCIRCZ-UHFFFAOYSA-N 312.797 1.245 0 40 DDAB CNC(=O)COc1cccc(CNC(=O)NC[C@@H]2C[C@H]2C)c1 56975435 VWMOWFOOKRVQCI-YPMHNXCESA-N 305.378 1.267 0 40 DDAB COc1ccccc1NC(=O)[C@@H](Cc1ccncc1)c1nnn[nH]1 57523483 APZWDYQUKXUUHO-LBPRGKRZSA-N 324.344 1.568 0 40 DDAB O=C(COc1ccccc1Cl)NC[C@@H]1CCS(=O)(=O)C1 44717959 RUOMZMSTJZKKPU-JTQLQIEISA-N 317.794 1.270 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NC[C@@H]1CCCO1 44891007 SRCLOOAQMLGHDP-QWHCGFSZSA-N 306.362 1.647 0 40 DDAB CC(=O)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 58223031 RLCZTCYFPANGCG-UHFFFAOYSA-N 318.373 1.871 0 40 DDAB CCOC(=O)[C@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(C)C 58291511 CAHLCHUSKPRBHL-JOZWUWCOSA-N 318.373 1.503 0 40 DDAB CN(C)S(=O)(=O)c1ccc(N2CCc3sccc3C2)nc1 58342352 ZYOLORWIRYCZQL-UHFFFAOYSA-N 323.443 1.956 0 40 DDAB O=c1c2sccc2ncn1C[C@@H](O)c1ccc2c(c1)OCO2 58307671 QWKXTXJBFYZDGS-LLVKDONJSA-N 316.338 1.920 0 40 DDAB CN1CC[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)CC1=O 45070021 UZTZVUMOXZEQJK-NSHDSACASA-N 300.362 1.390 0 40 DDAB O=C(NCCc1ccccn1)Nc1ccc(-n2cnnn2)cc1 48326305 HDHYPFFFVDIRBG-UHFFFAOYSA-N 309.333 1.422 0 40 DDAB CN1CC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O 12918000 IRSMZZSKVDOUKK-NSHDSACASA-N 312.753 1.112 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)NCCc2cccc(O)c2)c1 69484036 ZZTHOFVSPLKOFA-UHFFFAOYSA-N 319.382 1.768 0 40 DDAB COc1cccc(CNCC2CCN(CCO)CC2)c1OC 69414711 CMWUWOJSVBVJPX-UHFFFAOYSA-N 308.422 1.498 0 40 DDAB COc1ccc([C@H](O)CNC[C@H]2CNc3cc(C)nn3C2)cc1 69560807 NKLRKPZKKYCQCS-XJKSGUPXSA-N 316.405 1.565 0 40 DDAB C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc(O)c1 4107592 YRLWHKWDKPOVLN-PWSUYJOCSA-N 315.441 1.786 0 40 DDAB CCN(CC)CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)O 4301844 YTIPJRKLDLPAPA-HNNXBMFYSA-N 321.421 1.713 0 40 DDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1noc2c1CCCC2 69700746 WWSKWLSSJGHDAT-NSHDSACASA-N 323.418 1.547 0 40 DDAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)NC1CCCC1 5278578 JLTYNSPIXGZAPD-LBPRGKRZSA-N 320.389 1.695 0 40 DDAB CC(C)[C@@H](O)CN1C=C(C#N)C(=O)N[C@H]1NC1CCCCC1 4435095 BUPZYHLMZROZON-GOEBONIOSA-N 306.410 1.048 0 40 DDAB CCOc1ncccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 65594553 OPYRACIRSPNFHP-SNVBAGLBSA-N 308.382 1.905 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)C1CCCC1 65609714 KGQLAXLDRUCVNM-HOTGVXAUSA-N 318.421 1.742 0 40 DDAB C[C@H]1CCc2c(C(=O)N[C@@H]3CCC(=O)NC3=O)csc2C1 89753498 XVQALKRXPBPSNT-GZMMTYOYSA-N 306.387 1.408 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccccc1-n1cccn1 67005242 STCCWRFFHVUZAC-AWEZNQCLSA-N 324.388 1.957 0 40 DDAB C[C@@H](Sc1nccn1C)C(=O)NC(=O)NCc1ccccc1 7061664 SWYQKQAFDBJMHA-LLVKDONJSA-N 318.402 1.927 0 40 DDAB CS(=O)(=O)Cc1nc(CN2CCOC[C@H]2C2CC2)cs1 90007483 GKYYBIQMIULZJR-LBPRGKRZSA-N 316.448 1.299 0 40 DDAB COc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409376233 WFCJKVPGEVLGLL-BRXULGCHSA-N 303.314 1.678 0 40 DDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCOCC2)CC1=O 15480385 FBMPGWPFSJQFTB-UKRRQHHQSA-N 302.374 1.455 0 40 DDAB O=C1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1 7216347 WDTKKUCPWKYCON-UHFFFAOYSA-N 309.174 1.114 0 40 DDAB C[C@H](CNc1ccc(OC(F)F)cn1)N1CCN(C)CC1 94154114 LKHXOEMOTIOHMZ-LLVKDONJSA-N 300.353 1.731 0 40 DDAB O=C(N1CC[C@@H](CN2CCOCC2)C1)C1(c2ccccc2)CC1 89827694 MQCHJDGQXMHMEV-INIZCTEOSA-N 314.429 1.899 0 40 DDAB CC[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccncc1 175111588 BACVFBWPPMYIJQ-QWHCGFSZSA-N 300.366 1.438 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(Cl)cn3)CCO2)n1 83830001 YITDTPLRRYDYLM-NSHDSACASA-N 321.768 1.629 0 40 DDAB CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCCCNC2=O)cc1 96403313 IBTOODDDXAHTDF-AWEZNQCLSA-N 318.377 1.460 0 40 DDAB Cc1ccsc1CN(Cc1cc(=O)n(C)c(=O)n1C)C(C)C 71824965 SSYKPGDZYWLMBD-UHFFFAOYSA-N 321.446 1.865 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CCc2c(O)cccc21)c1nncn1C 71920307 GIDBMPYJBKOJPL-BXKDBHETSA-N 301.350 1.568 0 40 DDAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1 71824480 NWQIIYNHVLWHHH-CJNGLKHVSA-N 311.385 1.508 0 40 DDAB Cn1nnnc1SC[C@@H]1CC(c2c(F)cccc2F)=NO1 71916360 PCOYHLNNELSECX-ZETCQYMHSA-N 311.317 1.774 0 40 DDAB CC[C@H](NC[C@H](c1ccc(C)s1)N1CCOCC1)C(N)=O 75603918 CYVDDQMRHOZYMB-QWHCGFSZSA-N 311.451 1.283 0 40 DDAB CCc1nc(C)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1 75606381 ZOWQTNJJHFPVEA-QWHCGFSZSA-N 323.462 1.685 0 40 DDAB CO[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 76067334 NTKCWOFIVPSQCU-AAEUAGOBSA-N 310.781 1.622 0 40 DDAB C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1N(C)C 76050400 MGOSJDPRFXJCKI-YPMHNXCESA-N 306.410 1.678 0 40 DDAB C[C@](CO)(NCC(=O)NCc1ccccn1)C1CCCCC1 72294137 IZWSDGIMMIYQDJ-QGZVFWFLSA-N 305.422 1.619 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)N(C)c2nccs2)no1 72279380 XWRXAGJKYWYIGA-SNVBAGLBSA-N 321.406 1.888 0 40 DDAB CCOc1nnc(CN2CCN(CCOC)[C@@H](CC)C2)s1 72279861 KLEDCUIWTIWDOY-LBPRGKRZSA-N 314.455 1.479 0 40 DDAB COC(=O)c1cc(CN[C@@H]2CCc3nc(C)cn3C2)oc1C 97034406 GGFAHXBZARIGRX-GFCCVEGCSA-N 303.362 1.984 0 40 DDAB CCn1cc(C(=O)NC[C@@H](Cc2ccccc2C)C(=O)O)cn1 97018808 XEIPTWVFDGNHRR-CQSZACIVSA-N 315.373 1.885 0 40 DDAB O[C@@]1(C(F)(F)F)CCN(c2ncncc2Br)C1 97016686 IZTINKPAGUSDGZ-QMMMGPOBSA-N 312.089 1.743 0 40 DDAB Cc1cc(N2CCN(c3ccc(N)nc3)CC2)nc(C2CC2)n1 97002137 BRVPUFPFMIYFHW-UHFFFAOYSA-N 310.405 1.966 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97143866 DNIZZWVRHWUGSG-UHFFFAOYSA-N 324.388 1.795 0 40 DDAB CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc2c(c1)N(C)CC2 97373387 NIHMQZZDBZXOBZ-GFCCVEGCSA-N 304.390 1.950 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3cscn3)CCO2)n1 78889670 BOEIVIBUMSDZGN-SNVBAGLBSA-N 307.379 1.598 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H](c3cc(C)[nH]n3)C2)n(C)n1 78901181 DZNDHMRMPXKHKC-ZDUSSCGKSA-N 316.409 1.578 0 40 DDAB O=C(O)CNC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 95389891 KLICSXYRQQXGBM-VOTSOKGWSA-N 314.297 1.746 0 40 DDAB O=C1CCN(Cc2coc(-c3c(F)cccc3F)n2)CCN1 95433754 KXUMJNOLUIDOOS-UHFFFAOYSA-N 307.300 1.942 0 40 DDAB O=C(CNC(=O)c1cc(Br)c[nH]1)Nc1ccccn1 95427233 YPRVHVGUNAWZEK-UHFFFAOYSA-N 323.150 1.541 0 40 DDAB COCC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 95986340 MYPIQNYMPXPMGQ-LLVKDONJSA-N 315.167 1.080 0 40 DDAB CC(C)(CO)NC[C@@H](O)COc1ccc(Br)cc1 26781650 KQTTWSNKHAPLSE-LLVKDONJSA-N 318.211 1.549 0 40 DDAB O=CN1CCCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 521396765 RZXWRCGRFKLQDH-UHFFFAOYSA-N 320.773 1.332 0 40 DDAB CC(=O)N1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 72363488 GXNYBAPHMWNCGF-UHFFFAOYSA-N 312.377 1.811 0 40 DDAB O=C(OCc1ccccc1)N1CC(O)(C(F)(F)C(=O)O)C1 1535054671 NCSGPNCWQSTSEG-UHFFFAOYSA-N 301.245 1.090 0 40 DDAB CC[C@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)N1CCCC1 32653788 RNJCUTXISTXQJV-CYBMUJFWSA-N 316.409 1.345 0 40 DDAB O=C(CN1CCOCC1)CC(O)(C(F)(F)F)C(F)(F)F 31853803 XYLFEELDYNPHPN-UHFFFAOYSA-N 309.206 1.134 0 40 DDAB CNC(=O)[C@H](NC(=O)c1ccc(Br)cc1)C(C)C 32999442 OFCQYDMANXAIQS-LLVKDONJSA-N 313.195 1.950 0 40 DDAB O=C(c1ccncc1)N1CCn2c(nnc2-c2ccccc2)C1 75379471 UCDXJKKEZGSYTH-UHFFFAOYSA-N 305.341 1.996 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 36136920 QBAAYTJNDVIWIZ-LVEBTZEWSA-N 313.309 1.306 0 40 DDAB COc1cccc(-c2cc(CNC(=O)[C@H]3CCC(=O)N3)no2)c1 38753377 SFSHJWKRQFVPSC-CYBMUJFWSA-N 315.329 1.245 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 78609840 IERDXCOVLQLKLK-CYBMUJFWSA-N 319.380 1.763 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1Cl 79310265 SAAAAJODMJZQML-LLVKDONJSA-N 301.795 1.955 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccccc2F)c1=O 225967091 ORYFBNNWHRVIIS-UHFFFAOYSA-N 304.277 1.751 0 40 DDAB C[C@@H]1COCCN1CCNC(=O)c1cnccc1C(F)(F)F 568191728 QTXHPJAQBPWRSS-SNVBAGLBSA-N 317.311 1.551 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)c1ncccc1Oc1ccccc1 225666872 VYBYCOMDOYKJDI-KRWDZBQOSA-N 314.341 1.755 0 40 DDAB CC(C)(C)OC[C@@H](O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 43741150 SKKYDNDIAARCMO-ILXRZTDVSA-N 320.433 1.443 0 40 DDAB biogenic CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCCO 222751828 SBKDPBLNDFPKBQ-CQSZACIVSA-N 306.406 1.702 0 40 DDAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1 224168777 JELUYUQDDJHRBL-UHFFFAOYSA-N 316.336 1.382 0 40 DDAB COC(=O)[C@H](CSCc1cn2ccccc2n1)NC(C)=O 225446495 YWFWYOVIBRPVEI-LBPRGKRZSA-N 307.375 1.245 0 40 DDAB C[C@@H]1CN(C(=O)Cn2ccc(=O)c3sccc32)C[C@@H](C)O1 84705883 PZQDWRSEJBKJJK-GHMZBOCLSA-N 306.387 1.699 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc3cc[nH]c23)O1 96492564 ORKKGRXSLFPGJT-GXTWGEPZSA-N 315.373 1.534 0 40 DDAB Cn1cnc2c1CCN(C(=O)CC1CC1)[C@@H]2CN1CCCC1 96259799 WRUPRIVEYGQWLP-OAHLLOKOSA-N 302.422 1.742 0 40 DDAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CS(C)(=O)=O)c1 330798490 CLJYQCFXEPFAEE-AWEZNQCLSA-N 310.419 1.461 0 40 DDAB CS(=O)(=O)[C@@H](CO)C(=O)c1ccc(-c2ccccc2)cc1 96518746 LOAUFVAEOWIHAF-HNNXBMFYSA-N 304.367 1.942 0 40 DDAB CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 96184383 QESRUIFEKMCXRF-CVEARBPZSA-N 305.397 1.563 0 40 DDAB O=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)C1CCC1 97953472 LRQQRZPHLMUXNG-ZNMIVQPWSA-N 316.405 1.377 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3nccs3)C2)C1 96062299 XWXYSVOXUZTHHJ-HNNXBMFYSA-N 311.451 1.314 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)c2cc(Cl)ccn2)c1CC 96475463 NFSPCEGTRSHUMK-UHFFFAOYSA-N 320.780 1.873 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCN(Cc1nccs1)C2 96203054 QOODGSPYCYWVPJ-LBPRGKRZSA-N 301.437 1.143 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccn1C)C2 96061783 XBFLQMYYTLXRSY-UHFFFAOYSA-N 315.421 1.718 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(c1cnnc(O)c1Cl)CC2 95400812 NTAKTTQUWGNVIW-QWRGUYRKSA-N 313.785 1.592 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@@H]2CCN(Cc3ccncc3)C(=O)[C@H]2C1 96082036 KKBIZLDDQNFZSV-GJZGRUSLSA-N 324.384 1.530 0 40 DDAB C[S@](=O)c1ncn(CCC(=O)Nc2cccc(Cl)c2)n1 95438970 RHNQBNJHCHWHGF-HXUWFJFHSA-N 312.782 1.698 0 40 DDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccsc1)C2 96058893 BMVFJJPLEYIRIH-UHFFFAOYSA-N 317.418 1.478 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)CC1CC1)C2 96227058 JBTOTKXEEHVFKT-YJBOKZPZSA-N 313.401 1.737 0 40 DDAB COc1ccc(N2CCC[C@@H](C(=O)Nc3ccn(C)n3)C2)nn1 95473401 DEHMLHHKEVTYKF-LLVKDONJSA-N 316.365 1.074 0 40 DDAB CS(=O)(=O)CC1(CNC(=O)c2cc(F)ccc2F)CC1 96450172 IHASHSCEIQBXCG-UHFFFAOYSA-N 303.330 1.519 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(CO)C(=O)O)cc1 242701747 WNXKHNGVJWFHIZ-UMVBOHGHSA-N 312.387 1.213 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]21 257289688 PZUTZMJYZLTBEJ-OWCLPIDISA-N 323.400 1.859 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 257251548 JRFBVJYELMDXGQ-ZDUSSCGKSA-N 301.350 1.084 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc3c(c2)CCC3)CCO1 257274765 NMNCWYYDGKVQAW-QGZVFWFLSA-N 302.374 1.152 0 40 DDAB Cc1ncc(CNC(=O)c2cc[nH]n2)c([C@@H]2CCCN2C)n1 257260523 LDFYZPYPANJNFD-ZDUSSCGKSA-N 300.366 1.205 0 40 DDAB c1cnc(N2CCC3(CCO[C@H]3Cc3cncnc3)CC2)nc1 257209467 BQMVRMIBKIZPQE-HNNXBMFYSA-N 311.389 1.885 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2cc[nH]n2)n1 257321946 WDZOSXKAMNTWBC-HNNXBMFYSA-N 300.366 1.173 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2scnc2C)CCO1 257259727 KZRSKNZYEYKOHC-NSHDSACASA-N 305.407 1.857 0 40 DDAB Cc1nn(C)cc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257313083 UQZLKHXMGVTAGH-CQSZACIVSA-N 315.377 1.690 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccnnc2)n1 257249690 JJJKLPBMUWMZIK-HNNXBMFYSA-N 312.377 1.306 0 40 DDAB COCC(=O)N1CCC[C@H]1c1cccc(-c2ccnn2C)n1 257335146 YIWDTIATRRGINV-HNNXBMFYSA-N 300.362 1.792 0 40 DDAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)Cn1cccnc1=O 257205845 BAVHGTYXEQMIHG-GFCCVEGCSA-N 301.350 1.029 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 257227949 FRRWXEKESNLXTI-AWEZNQCLSA-N 316.323 1.844 0 40 DDAB CCSc1nnc(NC(=O)[C@@H]2CCS(=O)(=O)C2)s1 15582472 UEIQPBQNEUJFLC-ZCFIWIBFSA-N 307.422 1.023 0 40 DDAB COc1cccc(C(=O)NCC(=O)N2CC[C@@H](OC)C[C@H]2C)c1 281718802 IKGKTYLHHDYIAC-IUODEOHRSA-N 320.389 1.451 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(Cc3[nH]cnc3C)CCO2)cc1 585278132 ZVYDSBVDVDDYQI-SFHVURJKSA-N 315.417 1.833 0 40 DDAB COc1cccc(F)c1CN1C[C@@H](CC(=O)N(C)C)[C@@H](OC)C1 585277623 JKWZWENYYKGKEQ-WBMJQRKESA-N 324.396 1.759 0 40 DDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)C1(F)CC1 585110623 NHQLQIRGLIWKDV-CYBMUJFWSA-N 304.365 1.734 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)NCc1c(C)nn(C)c1C 41593770 ADSXFSBGSXHRIN-UHFFFAOYSA-N 323.418 1.832 0 40 DDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCC(F)(F)F 42636497 NOQVZAJKEWYEOH-UHFFFAOYSA-N 302.252 1.629 0 40 DDAB CN(CC(=O)NCCc1nnc2ccccn12)Cc1ccccc1 66042223 XOTNJYZIPDBDKV-UHFFFAOYSA-N 323.400 1.520 0 40 DDAB C[C@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69771549 GEURKOXCQCZOPH-ZFWWWQNUSA-N 312.454 1.353 0 40 DDAB CS[C@H](CO)[C@H](C)NC(=O)c1cc(Br)c[nH]1 97019277 GOPGJGGZJXOSDF-IMTBSYHQSA-N 307.213 1.619 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)N1CCOC2(CCOCC2)C1 90608871 IMRMKPHGLKBVOR-UHFFFAOYSA-N 320.345 1.829 0 40 DDAB CN1CCN(C2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 167184834 CFGXUILIVAHKGY-UHFFFAOYSA-N 304.394 1.811 0 40 DDAB O=S1(=O)CCC(CNc2ncc(Br)cn2)CC1 95975086 XBTLNTFZQIRPDE-UHFFFAOYSA-N 320.212 1.476 0 40 DDAB COc1ccc(Cc2n[nH]c(N3CCCCC3)nc2=O)cc1 5154637 XONSPUQTYIAGAG-UHFFFAOYSA-N 300.362 1.755 0 40 DDAB CCOC(=O)c1cnc(SCC(=O)OC(C)(C)C)nc1N 15278925 TWZCWEMURMWSGE-UHFFFAOYSA-N 313.379 1.669 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC[C@H](Oc2cccnn2)C1 225419743 PNVPKTKDZARIBV-LBPRGKRZSA-N 311.407 1.592 0 40 DDAB O=C([C@H]1CN(c2ncc(Cl)cc2F)CCO1)N1CCCC1 1889096227 IZASWRZBQNHGLK-GFCCVEGCSA-N 313.760 1.702 0 40 DDAB CCOC(=O)[C@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 23700287 QLHSLDTYHHJQDU-ZDUSSCGKSA-N 315.377 1.437 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)nc1 31612196 FCZRGQBVSRKWJY-MRVPVSSYSA-N 308.281 1.017 0 40 DDAB O=C(c1ccoc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 244909807 AWIPBBYPYDVRFP-STQMWFEESA-N 300.314 1.055 0 40 DDAB COc1cnc(N2CCC(Oc3nc(C)cnc3C)CC2)nc1 2087126171 GLHGRIBRBSZJMU-UHFFFAOYSA-N 315.377 1.940 0 40 DDAB Cn1c(=O)c2c(Nc3ccccc3F)ccnc2n(C)c1=O 12227445 ZFRSZGBXSCWMMA-UHFFFAOYSA-N 300.293 1.515 0 40 DDAB CC1CCN(C(=O)CN2CCC[C@H](NC(=O)C3CC3)C2)CC1 1006523049 RZWFPLMTBJZRRD-HNNXBMFYSA-N 307.438 1.236 0 40 DDAB CC(C)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 585501187 CHEUTZLOBSLFDU-UHFFFAOYSA-N 301.394 1.549 0 40 DDAB Cc1noc(CN2CCN(c3nc(O)cc(C4CC4)n3)CC2)n1 2298048601 BGFIODFNTQAQHF-UHFFFAOYSA-N 316.365 1.073 0 40 DDAB O=C(NCC[C@H](O)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 77108422 MCNIOJSFNLJRLP-LBPRGKRZSA-N 314.744 1.695 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(C(=O)NC3CC3)CC2)C[C@@H](C)O1 31101473 ZCCFURXOWTVMAT-TXEJJXNPSA-N 309.410 1.206 0 40 DDAB C[C@@H]1CCCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)C1 539223 YQLJWCHZCSBMHY-SNVBAGLBSA-N 313.448 1.763 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1 45654954 KHIQVHOPHZXEAU-WDEREUQCSA-N 314.382 1.621 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3OC)C[C@@]23C=C[C@H]1O3 100634814 BIRNAPJPYSZWAB-OEUWWYETSA-N 315.325 1.155 0 40 DDAB CCOC(=O)CN(CC(=O)OCC)c1ccc(C(C)=O)cc1 1757381 NFLDLKBCMNFWKZ-UHFFFAOYSA-N 307.346 1.822 0 40 DDAB Cc1csc(N(C)C(=O)CN2C(=O)COc3ccccc32)n1 40548923 YIEMGNHMPBIMKZ-UHFFFAOYSA-N 317.370 1.840 0 40 DDAB CN(CCCNS(C)(=O)=O)Cc1c(F)cccc1Cl 40556363 XWKBTCSLRCVCSZ-UHFFFAOYSA-N 308.806 1.850 0 40 DDAB CC(C)(CNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 40509668 WADDDPWDMLJFPG-CYBMUJFWSA-N 309.431 1.905 0 40 DDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CO)CC1 59403722 AEXJMMPTIGSHMK-LLVKDONJSA-N 306.362 1.447 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc(OC)cc1 6655358 WUKYBOYBTXBEFQ-CYBMUJFWSA-N 321.402 1.637 0 40 DDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NC(C)C)cc1 6880219 RDTRYBSPDNNMKC-UHFFFAOYSA-N 312.435 1.832 0 40 DDAB CC[C@@H](C)Oc1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 51643788 AEPNVUTZFCVVKA-RISCZKNCSA-N 321.377 1.582 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)NC12CC3CC(CC(C3)C1)C2 20888940 NVMPBGRKIOBMJV-UWJCENJNSA-N 311.447 1.896 0 40 DDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 36833036 AYLGRTXVVALLFH-AWEZNQCLSA-N 321.352 1.207 0 40 DDAB CC(C)Oc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cn1 32650228 QAMXAFMXIZGGPT-CYBMUJFWSA-N 307.394 1.319 0 40 DDAB CC(C)C[C@H](C(=O)NC1CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102020344 GPMVBOUDIMZONN-MELADBBJSA-N 304.390 1.631 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)c2ccc(N(C)C)nc2)c1 29451520 NMAPFHANLAJFMG-UHFFFAOYSA-N 323.360 1.684 0 40 DDAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cn2cccn2)c1 32843221 ZMDKDVOBCKDUEY-UHFFFAOYSA-N 300.362 1.597 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2COCCO2)c1 32806701 KCPQEORUZXKHAC-ZBFHGGJFSA-N 321.373 1.783 0 40 DDAB O=C(CSc1nnc(-c2ccccc2)o1)N1CCOCC1 428190 LXDLIGUXWJWGTC-UHFFFAOYSA-N 305.359 1.688 0 40 DDAB COc1cc(OC)c(N2C(=O)[C@H]3N=NC[C@H]3C2=O)cc1Cl 101630021 ABVXTTXRDHIOOP-KBUNVGBDSA-N 309.709 1.681 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)NCc1ccco1 69615237 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O=C(COC(=O)Cc1ccc(F)cc1)NC(=O)c1cccs1 23221208 LQVBDKWFBQJOBY-UHFFFAOYSA-N 321.329 1.930 0 40 DDAB C[C@@H](Cn1cc(Br)cn1)C(=O)NC[C@H]1CCCO1 2803988 PNLMURVGHNBORP-GXSJLCMTSA-N 316.199 1.577 0 40 DDAB COC(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C 8332036 YFFPNGUTAUZZFA-UHFFFAOYSA-N 302.334 1.837 0 40 DDAB CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100394077 IKLHAPIXQITRCX-BIMSSTTISA-N 303.358 1.539 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)N1CCN(c2ncccn2)CC1 42815877 SGLIXBTVNSPCAC-SNVBAGLBSA-N 318.299 1.093 0 40 DDAB Cc1noc(C)c1C[S@@](=O)[C@@H](C)C(=O)NCC(F)(F)F 24757288 VTIZJRLLNOOUOG-FHZGZLOMSA-N 312.313 1.607 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)N1CCCC1 106789480 SCMZOMMVVYTQSI-FVQBIDKESA-N 307.438 1.473 0 40 DDAB O=C(Cc1ccc(Cl)cc1)NCCCn1ncccc1=O 23241741 NZQKPRSBZFKDNV-UHFFFAOYSA-N 305.765 1.646 0 40 DDAB C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1cccnc1 43785243 OZKHFCAYIZAYGD-ZDUSSCGKSA-N 312.377 1.464 0 40 DDAB CC(C)(O)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 108559405 BSSHPEXMBYTOSD-UHFFFAOYSA-N 323.412 1.860 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)c(Cl)c1 44502735 HXDCMASLDUTYSH-LLVKDONJSA-N 302.827 1.926 0 40 DDAB O=C1CN(c2ccc(NC(=O)CCC3CCCC3)cn2)CCN1 27270667 GMOPOYYHVKXROX-UHFFFAOYSA-N 316.405 1.927 0 40 DDAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1 35828547 CKETYMLHWZZHGX-OBRUSBNWSA-N 300.310 1.610 0 40 DDAB COCCCNC(=O)COc1ccc(Cl)cc1C(=O)OC 44980543 KZQDHFPXLXDHNC-UHFFFAOYSA-N 315.753 1.658 0 40 DDAB CS(=O)(=O)NCCC(=O)N1CC=C(c2ccccc2)CC1 44916081 ICVSOZKCFHBEET-UHFFFAOYSA-N 308.403 1.242 0 40 DDAB COc1cc(CNC(=O)Nc2ccc(N(C)C)nc2)ccn1 48091464 IOKSYGIHSSVUSD-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 48232219 GHOXXIRTLAIWED-SNVBAGLBSA-N 300.380 1.366 0 40 DDAB COC(=O)CCCNC(=O)CSc1ccc(NC(C)=O)cc1 12914001 PHHRZHGRYAPGMZ-UHFFFAOYSA-N 324.402 1.807 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCO3)C2 69458054 RBTJNUYUYBEXEJ-UHFFFAOYSA-N 300.318 1.014 0 40 DDAB O=S1(=O)CC[C@@H](CNC2CCC3(CCNCC3)CC2)C1 67803190 MOUSMWMVMLMVGK-ZDUSSCGKSA-N 300.468 1.323 0 40 DDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cnn(C)c1 6219408 XUAWRAROAMUZQD-UHFFFAOYSA-N 317.301 1.002 0 40 DDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)F 5242180 MVFZOKVEBOKBMW-PKFCDNJMSA-N 314.288 1.174 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CN(C)c1cnccn1 69518092 UVTRYOBEUOWXGH-GJZGRUSLSA-N 317.437 1.388 0 40 DDAB O=C(C[C@H]1SC2=NCCN2C1=O)NCCc1ccccc1 6344180 YXGZHOLCRZJSAT-GFCCVEGCSA-N 303.387 1.049 0 40 DDAB COC[C@@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 65440296 DKZABOVGJHIXDP-LLVKDONJSA-N 308.378 1.806 0 40 DDAB C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 14094724 ILBALGVLJWOABY-LBPRGKRZSA-N 322.430 1.999 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)N2CCOCC2)cc1OC 14140873 GHOVKMVAZGEVDZ-LBPRGKRZSA-N 308.378 1.041 0 40 DDAB NC(=O)CN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 14119659 GCRJHCKAHPJQCA-UHFFFAOYSA-N 311.385 1.519 0 40 DDAB CCOCCCNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 4560389 XWYXFEXJCWLLRM-UHFFFAOYSA-N 323.784 1.536 0 40 DDAB Cc1ccc(NC(=O)CN(C)CC(=O)N2CCC[C@@H](C)C2)nc1 69015571 VJFMHJOKTAHFQX-CQSZACIVSA-N 318.421 1.519 0 40 DDAB CCOc1ccc(C(C)=O)cc1COC(=O)CCNC(C)=O 14241352 DJNJYDOUWVUKSG-UHFFFAOYSA-N 307.346 1.857 0 40 DDAB CCc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=N)s1 6544024 ZSJSBPRPTOKVNZ-UHFFFAOYSA-N 306.347 1.354 0 40 DDAB Cn1c(CC(=O)NN2Cc3ccccc3C2=N)nc2ccccc21 6566944 RWVRPRNXCBCOQQ-UHFFFAOYSA-N 319.368 1.988 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)C1 4670192 BIJPYEGILDRZEE-TUAOUCFPSA-N 304.412 1.006 0 40 DDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3CC3)cc2O1 6662082 XDEVTPSMFWFDJE-UHFFFAOYSA-N 305.330 1.793 0 40 DDAB Cc1cnc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)s1 66247472 FNRXWNVXKUUYFG-UHFFFAOYSA-N 322.375 1.228 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)cn1 69844273 PPESSOGROUVBGD-XJKSGUPXSA-N 313.357 1.924 0 40 DDAB COc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)cc1F 69951306 VVMNXOPPVNIQRT-UHFFFAOYSA-N 324.396 1.292 0 40 DDAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1 89888023 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C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1ccc(C(F)(F)F)n1 71830223 JAPGYKFHHUJAKA-BDAKNGLRSA-N 318.299 1.014 0 40 DDAB O=C(N[C@H]1CCN(c2ccccc2)C1)N[C@@H]1CCCCNC1=O 71882519 LMBZOZUEURVWOM-DZGCQCFKSA-N 316.405 1.233 0 40 DDAB CC(C)[C@H](C(=O)Nc1ccnc2ccnn12)N1CCCC1=O 71888822 OPOFOJKUPKVXKA-CQSZACIVSA-N 301.350 1.315 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cn1 72235310 YEEAOIOJORRDHH-CQSZACIVSA-N 315.377 1.776 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)c3cc4ccccc4[nH]3)C2=O)cn1 72287345 YIYOUHIDYWZFBG-CQSZACIVSA-N 323.356 1.437 0 40 DDAB COc1ccc2c(c1)C[C@@H](N[C@@H](C)CCS(C)(=O)=O)CC2 97021061 LCYBNINSTNTRJC-WFASDCNBSA-N 311.447 1.965 0 40 DDAB CC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nc(C)cn2C1)C1CCCC1 97198812 KSNUBSQWZJUDPD-GDBMZVCRSA-N 318.421 1.317 0 40 DDAB Cc1csc([C@@H](C)CNC(=O)NCCc2nc(C)no2)n1 97109970 ZSWXVUYLAYIWFR-QMMMGPOBSA-N 309.395 1.788 0 40 DDAB Cc1ccccc1S(=O)(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 97147299 LTZIMTUMKRQZET-CQSZACIVSA-N 322.361 1.639 0 40 DDAB CC(C)[C@@H](CNC(=O)c1c(O)cccc1O)N1CCOCC1 95410476 PVQZOHQHCXXLCF-GFCCVEGCSA-N 308.378 1.184 0 40 DDAB Cc1nnc2ccc(N[C@H]3CCO[C@]4(CCSC4)C3)nn12 95426374 QFPLZRRPAOLWKD-SMDDNHRTSA-N 305.407 1.899 0 40 DDAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1cccc1 95978247 ICVYBATUJUHARI-GFCCVEGCSA-N 321.402 1.938 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CC(n2cc(-c3ccccc3)nn2)C1 95998005 USQMVZLDZOURDX-HNNXBMFYSA-N 312.373 1.898 0 40 DDAB Cc1nccc(N2CCN(C(=O)C[C@H](C)n3cccc3)CC2)n1 545404061 UENPGMWYWQOCCJ-AWEZNQCLSA-N 313.405 1.886 0 40 DDAB COC(=O)C1(C(=O)OC)Cc2c(C)c(C)c(C)c(C)c2C(=O)O1 3847787 DIBMHYOQRWYTFF-UHFFFAOYSA-N 320.341 1.718 0 40 DDAB biogenic Cn1c(=O)n(CCC(=O)NC[C@@H]2CCCO2)c2ccccc21 32901367 BCHCORFAWJSOEL-LBPRGKRZSA-N 303.362 1.025 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)[C@H](c1ccccc1)n1cnnn1 72405333 HHYGYMQXGYDRPP-BVUBDWEXSA-N 309.373 1.591 0 40 DDAB Cc1c(CCC(=O)N2CCc3ccccc3[C@H]2CO)cnn1C 185709848 XIJSFTNZDCIGHT-QGZVFWFLSA-N 313.401 1.779 0 40 DDAB COC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)C(C)C)c2)C1 45953924 CQJUIAAOVXLHMC-NSHDSACASA-N 304.346 1.807 0 40 DDAB O=C1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)C(=O)N1 89754986 UXDQCPHGHPXATQ-VIFPVBQESA-N 300.236 1.240 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 193880202 WVTSSKYNQMMQFC-UMVBOHGHSA-N 303.406 1.922 0 40 DDAB CNCCNC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 568982763 RLQWKOBNEAZJJF-UHFFFAOYSA-N 320.418 1.154 0 40 DDAB C[C@@](N)(Cc1ccc(I)cc1)C(=O)O 44460272 YNCJAZPOXKKAMD-SNVBAGLBSA-N 305.115 1.636 0 40 DDAB CCCC(=O)Nc1ccc(N2C[C@@H](C(=O)OC)CC2=O)cc1 45953846 ASTYXJIUWQIGBS-NSHDSACASA-N 304.346 1.951 0 40 DDAB CCOC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958061 UYTXIODAEVWNAC-ZDUSSCGKSA-N 318.373 1.439 0 40 DDAB CN(C)c1ccnc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 195574397 QNERDKPCYIMIIU-CYBMUJFWSA-N 315.377 1.421 0 40 DDAB CC[C@H](C)NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225880565 CGCOODKKIPWNFU-ZETCQYMHSA-N 305.425 1.376 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)N2CCCN(C(N)=O)CC2)cc1 1584274825 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1.864 0 40 DDAB O=S(=O)(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc2nonc12 247325937 NLAJPHBFAXTDAQ-DCAQKATOSA-N 307.375 1.937 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ncccn1 257232225 GJWRMJSOBXUUBM-ZDUSSCGKSA-N 313.361 1.049 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(N3CCCC3)cc2)C1 257328330 XFEDQSIZWXNXRY-SFHVURJKSA-N 317.433 1.425 0 40 DDAB CN1CC[C@]1(CCCc1cccc(Br)n1)C(N)=O 257197551 CNFBNFOVZHEUDM-CYBMUJFWSA-N 312.211 1.726 0 40 DDAB Cc1cc(-c2cccc(C[C@@H]3CCN(S(C)(=O)=O)C3)n2)[nH]n1 257315402 VBDMNVPEWIGMRO-LBPRGKRZSA-N 320.418 1.604 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)COc3ccccc3)CCO2)n1 257221401 DOXINNLBHYQPFB-OAHLLOKOSA-N 315.373 1.707 0 40 DDAB CCOc1ncccc1C(=O)N(C)[C@@H]1CCC[C@@H](OC)[C@@H]1O 257293181 QOLIJXUXEVHBLM-MGPQQGTHSA-N 308.378 1.481 0 40 DDAB O=C(O)c1ccc(C(=O)NCC(=O)N2CCCCC2)c(F)c1 262367267 JNHNHDAEOZOKSA-UHFFFAOYSA-N 308.309 1.266 0 40 DDAB COc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1OCCO 390834057 RBNSWWCKGDVPBS-DGCLKSJQSA-N 309.362 1.364 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCCC2)C1 575406572 YLMXNLOACYBIEK-AWEZNQCLSA-N 304.394 1.625 0 40 DDAB Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1 66485522 WDRFSCYYHBXCRE-MRXNPFEDSA-N 316.401 1.849 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3cccnc3)CC2)n1 69656163 MGRLTBGGTHCQRC-UHFFFAOYSA-N 313.361 1.233 0 40 DDAB CN(C)c1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1 89741023 DGQUKINWCNOXNN-UHFFFAOYSA-N 313.317 1.240 0 40 DDAB O=C(COn1nnc2ccc(Cl)cc21)NCc1cccs1 5458380 RUXDOLLSNFXTEW-UHFFFAOYSA-N 322.777 1.891 0 40 DDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 11754308 OZYCLHNIDOOQBJ-INIZCTEOSA-N 310.401 1.300 0 40 DDAB CCn1nc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc2c1=O 14166707 NIRMSDRVVIWJGO-VXGBXAGGSA-N 315.373 1.666 0 40 DDAB CS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 16948202 AJOAKRQXHCGFOF-UHFFFAOYSA-N 301.323 1.892 0 40 DDAB C[C@]1(C(=O)N2CCC(O)(Cc3ccncc3)CC2)CCOC1 517238677 LJZCZBOOLGVOHC-INIZCTEOSA-N 304.390 1.404 0 40 DDAB Cc1cc(NC(=O)C(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422368 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1.417 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 3328495 SWPHARDYAJVLRV-GFCCVEGCSA-N 313.309 1.985 0 40 DDAB CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1cnn(C)c1 20602202 MBUPDWVEHKUOJU-UHFFFAOYSA-N 311.411 1.156 0 40 DDAB CCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 20607368 SWXRTZLXRUGMBJ-UHFFFAOYSA-N 311.345 1.108 0 40 DDAB COCCNC(=O)c1cn(Cc2c(F)cccc2Cl)nn1 4985647 NTDVFWJIZWQNQH-UHFFFAOYSA-N 312.732 1.495 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CN3C(=O)C[C@H](C)C3=O)c2cc1C 101456366 GZRQXHHARSAGGN-QWHCGFSZSA-N 315.373 1.409 0 40 DDAB CN1CCN(c2c(NCCC3=CCCCC3)c(=O)c2=O)CC1 101675023 OSKWKODRSKEDRM-UHFFFAOYSA-N 303.406 1.337 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)C1CC1 75121460 HUJXAKCGIBRWAE-JTQLQIEISA-N 312.373 1.598 0 40 DDAB CCN1CCC[C@@H]1CNc1c(NCc2ccco2)c(=O)c1=O 101690634 RALOCMZTVPPUDS-LLVKDONJSA-N 303.362 1.384 0 40 DDAB COc1cc(C(=O)OCC(=O)N2CCCC2=O)cc(OC)c1C 2656513 XROALOXOLSKELI-UHFFFAOYSA-N 321.329 1.318 0 40 DDAB C[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)n1cncn1 29957144 GTBVJZFHANDFHS-LBPRGKRZSA-N 300.366 1.151 0 40 DDAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22618538 CJAYCYRXUIXIAA-NEPJUHHUSA-N 318.373 1.725 0 40 DDAB CCN1CCN(C(=O)[C@@H](C)n2cc(Br)cn2)CC1 28224431 DGCHSHYMILPQOI-SNVBAGLBSA-N 315.215 1.371 0 40 DDAB Cn1nnn(Cc2ccccc2)/c1=N/C(=S)Nc1ccccc1 104195761 DONMPEMIFAWVSV-FBMGVBCBSA-N 324.413 1.963 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccc(Cn3cncn3)cc2)no1 25138223 IJWKXSZJURTSEJ-UHFFFAOYSA-N 311.345 1.895 0 40 DDAB Cc1occc1C(=O)NCc1ccnc(N2CCOCC2)c1 25290633 VXQNKSXEVSZNAE-UHFFFAOYSA-N 301.346 1.750 0 40 DDAB C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)N(C)[C@H](C)C1CC1 106911726 NGFADDZCXRLECB-SCRDCRAPSA-N 301.456 1.130 0 40 DDAB CCCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 113934325 PKCHFPQKJOJLJV-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 3128427 ATXSEDJBJBBUED-QWRGUYRKSA-N 315.366 1.235 0 40 DDAB CC(C)c1cc(NC(=O)COc2ccc(C(N)=O)cc2)[nH]n1 58281822 PUVUCPHBIQSJHT-UHFFFAOYSA-N 302.334 1.650 0 40 DDAB CC(C)CNC(=O)CN1CCC(NC(=O)c2cccs2)CC1 58218630 IRAOIMBLWOBTOJ-UHFFFAOYSA-N 323.462 1.715 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](c1ccsc1)N(C)C 44954835 MITLPANIIXEMSU-TZMCWYRMSA-N 321.450 1.935 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H](C(=O)O)CC1=O 44979022 OJYNSMBMKIRMQY-CYBMUJFWSA-N 313.357 1.922 0 40 DDAB Cc1occc1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 44911405 FVFMFFKLUQVDEF-HIFRSBDPSA-N 308.378 1.055 0 40 DDAB C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)n1cncn1 44908814 IJUGAWXHZYEAON-OLZOCXBDSA-N 319.434 1.854 0 40 DDAB CCN1CCC[C@@H](CNC(=O)CN(C)Cc2ccccc2)C1 58368267 YBFLKAIGFGEEPY-KRWDZBQOSA-N 303.450 1.967 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCC(Cc2ccc(F)cc2)CC1 58323659 FPINELFDCHQYHX-NSHDSACASA-N 307.369 1.664 0 40 DDAB Cc1cc(C(=O)NO[C@H]2CCCCO2)c2c(C)nn(C)c2n1 58330500 NRLMUYCWXWFRRC-LBPRGKRZSA-N 304.350 1.773 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)O 3366373 BUZREBMUVLYWFH-NSHDSACASA-N 317.432 1.788 0 40 DDAB CCOCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 58406900 RXTRRRLNPOYUNQ-UHFFFAOYSA-N 319.449 1.983 0 40 DDAB CCC(C)(C)NC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 36397982 IMXBOMHOJATVQD-UHFFFAOYSA-N 316.361 1.957 0 40 DDAB COC[C@@H](C)n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3403001 JUZPJXIEJMLPCO-ZJUUUORDSA-N 321.402 1.570 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC[C@@H]2CCCO2)c1C 3480134 NIRKPENNJBEKAB-LBPRGKRZSA-N 322.361 1.286 0 40 DDAB CN(C)C(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 3474884 BKVLFHREDSGTAF-UHFFFAOYSA-N 316.386 1.909 0 40 DDAB COc1ccc(CNC(=O)CN2CCO[C@@H](C)C2)cc1OC 22373642 LPOHVFCFEFRPRA-LBPRGKRZSA-N 308.378 1.041 0 40 DDAB Cc1ccccc1-n1nnnc1SCC(=O)NC(C)(C)C 8428597 XTXTYIKTFGQUSA-UHFFFAOYSA-N 305.407 1.978 0 40 DDAB CCNC(=O)[C@@H]1CCCN([C@H](C(=O)OC)c2ccc(F)cc2)C1 69440142 YJDYZZQGRRZGTM-HIFRSBDPSA-N 322.380 1.888 0 40 DDAB c1cnn(C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 69594977 UHYYQJZVCVDWRG-OAHLLOKOSA-N 315.373 1.555 0 40 DDAB Cc1ccccc1OCC(=O)Oc1ccc(-n2cnnn2)cc1 6261031 OQJWMQCTQMWWPG-UHFFFAOYSA-N 310.313 1.955 0 40 DDAB Cc1[nH]c2c(C(=O)NCCCS(C)(=O)=O)cccc2c1C 69627131 SNRWNNQZNOODCB-UHFFFAOYSA-N 308.403 1.949 0 40 DDAB C[C@H]1CCCN(C(=O)COc2cccc(-n3cnnn3)c2)C1 14182233 HVDDOWVPKLPSNJ-LBPRGKRZSA-N 301.350 1.300 0 40 DDAB COc1c(C)cc(CN(C)CCC(=O)N2CCOCC2)cc1C 65623909 UBCXUGMCHMSKED-UHFFFAOYSA-N 320.433 1.993 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 14249020 HGWRACYRQSUFKH-LLVKDONJSA-N 317.389 1.680 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)CC2CCCCC2)CC1 69739967 PIFPQPNPCCOSEG-INIZCTEOSA-N 312.454 1.498 0 40 DDAB O=C(CCC(=O)NCc1ccccn1)NCc1ccc(F)cc1 4663405 ICFDQIBENPPALQ-UHFFFAOYSA-N 315.348 1.934 0 40 DDAB COC(=O)[C@H](C)N(C#N)c1nc(NC(C)C)nc(SC)n1 4795844 OFZDJFWKHJTJJJ-QMMMGPOBSA-N 310.383 1.263 0 40 DDAB O=C(CCn1nnnc1-c1ccccn1)Nc1cccc(F)c1 66738478 JZRNKLZZRUXXJP-UHFFFAOYSA-N 312.308 1.903 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)[C@H](C)Cn1cccn1)C2 69923470 YBMILIDPZPUNKF-GFCCVEGCSA-N 302.382 1.277 0 40 DDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccccc1 67286600 ZJKVOUIETLPHSR-HNNXBMFYSA-N 315.373 1.563 0 40 DDAB Cn1ccnc1SCCOc1ccc(S(N)(=O)=O)cc1 7119069 GOWBALPLUDUISD-UHFFFAOYSA-N 313.404 1.239 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1csnn1 83006857 KMOTZRPQSPKLEW-UHFFFAOYSA-N 324.450 1.551 0 40 DDAB CC[C@](NC(=O)COc1ccccc1OC)(C(N)=O)C(C)C 96005962 MMXHZILNPYYUFA-MRXNPFEDSA-N 308.378 1.480 0 40 DDAB Cc1ccn2c(C(=O)N3CCC4(CCCO4)CC3)nnc2n1 71639129 LGGZKEAMGYCSBS-UHFFFAOYSA-N 301.350 1.218 0 40 DDAB CN(C)c1cc(CNC(=O)Nc2cccn(C)c2=O)ccn1 71920116 HQMROUBIRXHTRF-UHFFFAOYSA-N 301.350 1.168 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCOc1cccc(F)c1 71908258 CDTDHGDWODOIHG-CZUORRHYSA-N 324.396 1.820 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(C)cc3cn[nH]c23)CC1 71881051 SQGSPMZEMQAEMG-CQSZACIVSA-N 316.405 1.400 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1 71821073 RRAJYJVNOMTJFA-SECBINFHSA-N 314.744 1.582 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)=O)C1 71870735 FOYBTNRYAYITDW-HUUCEWRRSA-N 318.421 1.620 0 40 DDAB COCCOc1ccc(S(=O)(=O)N(C)c2ccccn2)cc1 71846645 MMQITGUODQQSIN-UHFFFAOYSA-N 322.386 1.932 0 40 DDAB CCN1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)c2ccccc21 71894340 RKOAYYNFCAGPCR-CYBMUJFWSA-N 322.430 1.684 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1(C)C 72290737 PGQIRCHWADIGOC-OHUAYANFSA-N 305.378 1.035 0 40 DDAB Cc1nnc(-c2ccc(NC(=O)NC[C@@H](O)C3CC3)cc2)o1 84291644 FTELJWUVVIGHFP-CYBMUJFWSA-N 302.334 1.937 0 40 DDAB C[C@](O)(CNC1CCC(C(F)(F)F)CC1)CN1CCOCC1 97145911 PTVWOWBFNSMUHW-RUXDESIVSA-N 324.387 1.780 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)C2 97199172 IISKDAQFRVEFCL-CQSZACIVSA-N 322.372 1.517 0 40 DDAB COC(=O)[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccccc1C 97148064 HGNYKOQFFVQSIW-CZUORRHYSA-N 314.389 1.714 0 40 DDAB CC(C)c1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300830 RDOKDFDEQPEHAQ-ZUZCIYMTSA-N 321.381 1.003 0 40 DDAB O=C(Cc1ccc2c(c1)CCCC2)N1CCN(CCO)CC1 75568090 IIBPDOFPESSEHX-UHFFFAOYSA-N 302.418 1.244 0 40 DDAB NC(=O)c1ccc(N2CCN(CCCc3cn[nH]c3)CC2)cc1 72665490 ZDZMRYRAAYRKJB-UHFFFAOYSA-N 313.405 1.263 0 40 DDAB COCCN1CC[C@@]2(CNC[C@H]2c2cn(C(C)C)cn2)C1=O 306138330 RUZRURCTXWTVMB-BBRMVZONSA-N 306.410 1.016 0 40 DDAB O=S(=O)(c1c[nH]cn1)N1CCC[C@H]1C[C@@H](O)c1ccco1 95433417 KXGJLVIXDSYUOJ-WDEREUQCSA-N 311.363 1.280 0 40 DDAB Cn1c(N)nnc1S[C@H]1CCCN(c2ccccc2F)C1=O 95448489 DQZZHIBSAZZXRT-NSHDSACASA-N 321.381 1.824 0 40 DDAB O=C(Nc1cc(F)ccc1O)c1sccc1-n1cnnn1 95443645 DKCVSOBVVVQCLS-UHFFFAOYSA-N 305.294 1.821 0 40 DDAB CCCCc1ccnc(NS(=O)(=O)c2cnn(CC)c2)n1 95939346 WCWUYIOZTFYEJH-UHFFFAOYSA-N 309.395 1.836 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)on1 95952984 GUQJJEITPCNXJV-NEPJUHHUSA-N 312.391 1.471 0 40 DDAB C[C@@H](c1ccccn1)N(C)C(=O)CNC(=O)c1cccc(O)c1 95945652 DEJZWFWXWLQMHX-LBPRGKRZSA-N 313.357 1.737 0 40 DDAB CCc1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)on1 74428510 MNUGINIZCMYZIX-AWEZNQCLSA-N 322.409 1.243 0 40 DDAB COc1ccc(OCC(=O)N(CCC(=O)O)CC2CC2)cc1 89453751 LPUKWPPILLMVIL-UHFFFAOYSA-N 307.346 1.787 0 40 DDAB COCCN1CCC[C@@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1007498207 IZVVVGQJCXLWKJ-SECBINFHSA-N 320.315 1.269 0 40 DDAB CC(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 72364868 IJTJQOSGJYGSJZ-CQSZACIVSA-N 304.394 1.348 0 40 DDAB Cc1cccc(Cn2nnc3cc4c(cc3c2=O)OCCO4)c1 32647329 JPKOSQGAALZVCT-UHFFFAOYSA-N 309.325 1.919 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1 72238051 RQNJOAVQEVGKFE-SJORKVTESA-N 316.401 1.988 0 40 DDAB CN(CCCc1ccccc1)CC(=O)N(C)CC(=O)NC1CC1 40105856 YROIPAUWDCVVGQ-UHFFFAOYSA-N 317.433 1.288 0 40 DDAB CN(C)c1noc([C@H]2CCCN(C(=O)c3cccn3C)C2)n1 194443810 AMPYDBUSEFJMPH-NSHDSACASA-N 303.366 1.494 0 40 DDAB Cc1nc(C)c(C(=O)NCCNC(=O)c2ccc(F)cc2)[nH]1 521395327 DFTVZYMQAJZLDG-UHFFFAOYSA-N 304.325 1.325 0 40 DDAB Cn1cccc1[C@@H](O)CNC(=O)c1cc(=O)c2ccccc2o1 75155063 IKFZOZJSEYHTSB-AWEZNQCLSA-N 312.325 1.595 0 40 DDAB C[C@@H]1CCCN(c2ncc3c(n2)CN(c2cnn(C)c2)C3=O)C1 46088825 ZOUYCRZVKAOQIH-LLVKDONJSA-N 312.377 1.607 0 40 DDAB CCCNC(=O)c1cc(N)ccc1NCCN1CCOCC1 225497329 JDNWKVPAHFNBKO-UHFFFAOYSA-N 306.410 1.153 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccc(F)cc1 85475684 JWVSQGXGUPFBGZ-HIFRSBDPSA-N 316.336 1.717 0 40 DDAB COc1ccccc1NC(=O)c1cc(N2CCOCC2)on1 224076087 SAOKBNLVBTUHKT-UHFFFAOYSA-N 303.318 1.772 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(F)F)cc1 194814492 ADMZUDZETFODLC-UHFFFAOYSA-N 320.361 1.502 0 40 DDAB CC(C)c1ccc([C@@H]2C[C@@H]2NC(=O)Cn2ncn(C)c2=O)cc1 195553313 SMBYCEUMQHOEDY-GJZGRUSLSA-N 314.389 1.378 0 40 DDAB Cn1ncc(N2CC[C@@]3(CCOC3)C2)c(Br)c1=O 95410707 CCPMYSIHWGHGQA-GFCCVEGCSA-N 314.183 1.160 0 40 DDAB O=S(=O)(C1CC1)N1CCC2(CCN(c3ncccn3)C2)CC1 96046611 HNEIIZQMPRRWNT-UHFFFAOYSA-N 322.434 1.261 0 40 DDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(CC1CC1)C2 96056973 JPRPYOFWGHDTEQ-RDJZCZTQSA-N 310.438 1.372 0 40 DDAB CC(C)n1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)n1 96443741 UPCLJLZHCRYCRL-LBPRGKRZSA-N 321.450 1.713 0 40 DDAB COC[C@H]1CN(Cc2ccncc2)Cc2nnn(CC3CC3)c21 96060897 PNSPTNHFLVKICS-OAHLLOKOSA-N 313.405 1.829 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 96430471 AYRMCBNEHMRCCX-TZMCWYRMSA-N 304.415 1.741 0 40 DDAB Cc1cccc(CN2CCC[C@]3(CCCN3S(C)(=O)=O)C2)n1 96215094 UUECLJWXMTVONF-INIZCTEOSA-N 323.462 1.780 0 40 DDAB Cc1nc(=NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)o[nH]1 333350293 FFVVUSXNVSCQLL-LBPRGKRZSA-N 306.366 1.613 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1cc(C)oc1C 96081205 ZZCHCPAGLRJJOB-ZIAGYGMSSA-N 306.362 1.358 0 40 DDAB COCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 95116134 UXEVKQLFLAATNO-UHFFFAOYSA-N 323.374 1.997 0 40 DDAB CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCCC3)cc21 96413026 GCLSDCQFZXHEFP-UHFFFAOYSA-N 308.403 1.770 0 40 DDAB COc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)cc1 96199318 VLOFZYLNHKEXAT-CQSZACIVSA-N 302.378 1.531 0 40 DDAB Cc1ccn(CCOc2cccc(S(C)(=O)=O)c2)c(=O)c1 96414747 OPQJTOKVBHJUGO-UHFFFAOYSA-N 307.371 1.639 0 40 DDAB CO[C@@H](CNC(=O)c1cccn(C)c1=O)c1ccccc1C 96104933 ADYSHZWQALCOAB-HNNXBMFYSA-N 300.358 1.811 0 40 DDAB Cc1nccn1CC(=O)NCc1ccnc([C@H]2CCCO2)n1 257283599 OYYBTIYVMDPVJC-CYBMUJFWSA-N 301.350 1.149 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)C2(c3ccccc3F)CC2)C1 257242883 IEPDQCQVIGRFAB-MRXNPFEDSA-N 306.381 1.382 0 40 DDAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 257244475 ILNDQNDFZOQUTJ-LBPRGKRZSA-N 314.393 1.594 0 40 DDAB CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257204224 ATPKGMFDIPYDND-UMVBOHGHSA-N 318.377 1.579 0 40 DDAB COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc2c(c1)CCC2 643847256 CLKYUKKXFCRCPP-QGZVFWFLSA-N 303.358 1.881 0 40 DDAB CCN1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 44835748 XYXCTWDAVSSLJM-UHFFFAOYSA-N 317.389 1.114 0 40 DDAB Cc1cc(C)n2ncc(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2n1 45141360 XUHUPALGUWBKPP-CQSZACIVSA-N 323.356 1.303 0 40 DDAB O=C(c1ccccc1)N1CCN(S(=O)(=O)CCCF)CC1 72307518 OWKKVKJQVIIJGL-UHFFFAOYSA-N 314.382 1.134 0 40 DDAB Cc1nc(CCCNC(=O)Nc2nnc(C3CC3)s2)n[nH]1 72306263 MNDOVPMNIMJGQJ-UHFFFAOYSA-N 307.383 1.596 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCC[S@@](=O)c1ccccc1)CC2 75603597 VYBIHHQXXJYXLN-XMHCIUCPSA-N 318.446 1.553 0 40 DDAB CCOc1ccccc1C(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85436602 DCVXWDCNUUSDRF-MRXNPFEDSA-N 318.417 1.614 0 40 DDAB CN1CCN(c2ncc(CNc3ccc(F)cn3)cn2)CC1 97045335 NTWSWAKNZUBMGZ-UHFFFAOYSA-N 302.357 1.375 0 40 DDAB C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@@H]21 3149815 TYOLRTYWMXRCLK-IZBVLFNOSA-N 314.389 1.709 0 40 DDAB biogenic CN1OC2(CC1=O)CN(C(=O)COc1ccc(Cl)cc1)C2 1549162189 OSYYOBOMVYGMHR-UHFFFAOYSA-N 310.737 1.094 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccccc1C)NC(=O)N2 11665611 VAGWYTRNOBDFCC-OAHLLOKOSA-N 315.373 1.482 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)c1cccs1)c1cccn1C 11897858 QBDGXQHKSANGPM-GFCCVEGCSA-N 313.448 1.668 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccccn1 13688765 KUCPYBBXSJAPOM-OKILXGFUSA-N 313.357 1.039 0 40 DDAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCN1CCOCC1 14400066 VKYCQGVHVYHBSM-INIZCTEOSA-N 322.405 1.301 0 40 DDAB COc1ccccc1[C@@H]1CC(=O)C[C@H](Nc2nonc2N)C1 19974050 SJOMZLRRAJNANB-VHSXEESVSA-N 302.334 1.978 0 40 DDAB C[C@@H](CN1CCN(C)CC1)OC(=O)COc1ccc(F)cc1 19999924 MUTDGEJUSCEJTN-ZDUSSCGKSA-N 310.369 1.384 0 40 DDAB CC[C@H](Sc1nc2c(c(=O)n1C)S[C@@H](C)C2)C(=O)OC 250240 CWXHWZQFBXTFRT-CBAPKCEASA-N 314.432 1.861 0 40 DDAB CCOC(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 4027485 KAJRIJYDLDLXHC-CQSZACIVSA-N 318.373 1.361 0 40 DDAB biogenic CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnc(C2CC2)n1C 521920403 LTPIPWIZPJNVIP-SOUVJXGZSA-N 320.437 1.708 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H](CO)C2)cc1OCC 252517766 QSWWLEQSSAIKDM-IHRRRGAJSA-N 323.389 1.346 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC2)nn1 1888843453 VRRDMRZPABLOKZ-YIONKMFJSA-N 304.394 1.919 0 40 DDAB COC(=O)c1ccoc1COC(=O)[C@H](C)NC(=O)c1ccco1 24037774 KBNCKMWWYRDFFD-VIFPVBQESA-N 321.285 1.521 0 40 DDAB COCCCNC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 29693555 CLDJWOHKWLCJIG-QWRGUYRKSA-N 321.377 1.359 0 40 DDAB COc1ccc2cc([C@@H](C)C(=O)OCC(=O)NCO)ccc2c1 2060999983 KDXLUIVOFFBYFU-LLVKDONJSA-N 317.341 1.561 0 40 DDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)c1cc[nH]c1)CC2 1565551934 UVGVNYYUHBTCAC-UHFFFAOYSA-N 318.421 1.174 0 40 DDAB CN(C)CCOC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374252 FJMLOIPFYKUWJF-GFCCVEGCSA-N 309.341 1.219 0 40 DDAB CCN(CCO)C(=O)N[C@H]1CC(=O)N(c2ccc(C)cc2)C1 4359955 VNTKIOAZSLNDQC-ZDUSSCGKSA-N 305.378 1.124 0 40 DDAB O=C(Nc1cccs1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966275 WDXJXDLNKORIBM-UHFFFAOYSA-N 321.337 1.558 0 40 DDAB Cn1cc([C@@H]2CN(C(=O)c3cnccn3)Cc3ccccc32)cn1 585406079 AUGDYQUUSIXVJO-INIZCTEOSA-N 319.368 1.998 0 40 DDAB COc1cc(CNC(=O)c2ccc(CNC(C)=O)cc2)ccn1 40049482 BAJSSYKRMMUTAU-UHFFFAOYSA-N 313.357 1.656 0 40 DDAB Cn1cc(OC[C@H](O)CNC(C)(C)C)c2ccccc2c1=O 4698 TWVUMMQUXMYOOH-GFCCVEGCSA-N 304.390 1.666 0 40 DDAB in-man C[C@@H](NC(=O)C1=COCCO1)c1ccc(S(C)(=O)=O)cc1 10968136 YQOIJDBQPMOURJ-SNVBAGLBSA-N 311.359 1.156 0 40 DDAB O=C(O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(=S)[nH]c2c1 211086 YDMDOYQKAGFQND-SECBINFHSA-N 306.343 1.936 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H]2Cn2nc(C)cc2C)on1 70003744 CDBWAUPSBAMGAO-AWEZNQCLSA-N 317.393 1.899 0 40 DDAB Cn1cc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cn1 36610945 LWUHDBAZBVOPTM-UHFFFAOYSA-N 319.752 1.841 0 40 DDAB CC[C@H](Nc1ccc(CC(N)=O)cc1)C(=O)Nc1cc(C)on1 40511429 NOZDGQMBJOMGKU-ZDUSSCGKSA-N 316.361 1.840 0 40 DDAB C[C@H](O)CNC(=O)C1CCN(Cc2nc(C(C)(C)C)no2)CC1 40540730 MTVNVJWLTRSXHF-NSHDSACASA-N 324.425 1.076 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 40540926 TVSZILCEAZIAIG-UHFFFAOYSA-N 316.365 1.142 0 40 DDAB O=C(Cn1ccccc1=O)Nc1cccc(C(=O)NC2CC2)c1 11227990 VLNSNRPWULOVMV-UHFFFAOYSA-N 311.341 1.379 0 40 DDAB Nn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 11519215 KNZKYKHXIAWHKR-UHFFFAOYSA-N 318.402 1.261 0 40 DDAB O=C(O)CN1N=C(C(=O)Nc2ccc(Cl)cc2)CCC1=O 57478045 SMPJNOQCEJHDSX-UHFFFAOYSA-N 309.709 1.342 0 40 DDAB Cn1c(=O)n(CC(=O)NCCc2cccnc2)c2ccccc21 32349494 MKSYFAZBGPHSPF-UHFFFAOYSA-N 310.357 1.094 0 40 DDAB CC(=O)O[C@@H]1CCN2C(=O)C=C[C@@H](OCc3ccccc3)[C@@H]12 8653393 UDKKAMHHDCVXRP-INMHGKMJSA-N 301.342 1.674 0 40 DDAB CCc1ccc(-n2nc(CO)c(C(=O)N[C@H](C)CC)n2)cc1 21173172 TVQIOUGXGHOSDX-LLVKDONJSA-N 302.378 1.850 0 40 DDAB CNC(=O)C1(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 108765263 IHROJMOFEKURQR-UHFFFAOYSA-N 321.465 1.818 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)n1 50443780 FFRRZROBTNWPQM-CYBMUJFWSA-N 304.394 1.017 0 40 DDAB CCCn1nc(C(=O)Nc2ccc(C(=O)OC)s2)ccc1=O 32808677 ONQDWUVHOZZIKV-UHFFFAOYSA-N 321.358 1.754 0 40 DDAB COC(=O)c1ccc(NC(=O)CCCCCNC(N)=O)c(C)c1 32905751 RHYDVROZXCTBBC-UHFFFAOYSA-N 321.377 1.949 0 40 DDAB COC(=O)c1oc(CN(C)CC(=O)Nc2cc(C)on2)cc1C 46503741 OPXQDDNHQQEBMT-UHFFFAOYSA-N 321.333 1.742 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccc(NC3CC3)nc2)c(=O)[nH]1 75122985 NTVPISTXEIDDNS-UHFFFAOYSA-N 312.373 1.891 0 40 DDAB Cn1c(=O)c(C2=NN=C(S)NC(O)=C2)c(O)c2ccccc21 55113334 LNZNHLLGQBTPIS-UHFFFAOYSA-N 316.342 1.237 0 40 DDAB Cc1c(Br)cnn1CC(=O)N[C@@H](C)[C@H]1CCCO1 2779205 QENDJNJPKQOGLG-GZMMTYOYSA-N 316.199 1.638 0 40 DDAB CC(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100278129 KRSGOHOGXBDPAJ-XUXIUFHCSA-N 303.314 1.706 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)OCC(=O)N1CCNC1=O 7295335 NWHUUPWSRQHFHE-UHFFFAOYSA-N 324.308 1.078 0 40 DDAB CCCCNC(=O)COC(=O)c1nn(-c2ccccc2)nc1C 7292552 PERJTUOOMOWOOY-UHFFFAOYSA-N 316.361 1.649 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccco1 22411213 GJVWIHYGIPHNCF-UHFFFAOYSA-N 315.372 1.948 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCn1cnc2c1c(=O)n(C)c(=O)n2C 42128785 AKBAQMQLJRLPLJ-VXGBXAGGSA-N 320.393 1.029 0 40 DDAB CCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)C)cc1 108021727 NQBDFUCFOXMKBU-UHFFFAOYSA-N 312.435 1.690 0 40 DDAB C[C@@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)C[C@@H](C)O1 47131001 HOERUIOTTVDVPT-VXGBXAGGSA-N 322.361 1.613 0 40 DDAB C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCCN(C2CC2)CC1 61604114 GTXKTHPHWVHCEJ-CQSZACIVSA-N 321.465 1.768 0 40 DDAB Cc1cc(CNC(=O)Nc2ccc(OCC(N)=O)cc2C)on1 61775337 ANZVUYBLVZRTBO-UHFFFAOYSA-N 318.333 1.477 0 40 DDAB CC(=O)N[C@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 25408950 QIALDJUBGDOJAK-SSDOTTSWSA-N 321.358 1.531 0 40 DDAB NC(=O)C1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 47932534 NWXOZTCNAIKFFX-CQSZACIVSA-N 319.336 1.043 0 40 DDAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1nncn1C 43889462 STMLXQZEWLEEPY-SNVBAGLBSA-N 317.349 1.147 0 40 DDAB O=C(CCOc1cccc(Cl)c1)N1CCN(CCO)CC1 35234061 KOCRPCOBILOBPT-UHFFFAOYSA-N 312.797 1.245 0 40 DDAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)cc2c1OCO2 35325433 CNYLSAZIFQIPGW-SSDOTTSWSA-N 319.342 1.937 0 40 DDAB Cn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2cc(F)ccc21 22236196 HGOXHBGQIZOHCP-LLVKDONJSA-N 304.321 1.586 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)CN1CCC(C(N)=O)CC1 7435634 AUNOVDYVEIAWLE-UHFFFAOYSA-N 309.797 1.784 0 40 DDAB CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1 58217810 TXUYKGOSYXQQDB-LSDHHAIUSA-N 316.401 1.897 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCOc1cccc(F)c1 58229556 RFDLDHZVLALGBD-LLVKDONJSA-N 315.366 1.146 0 40 DDAB COC(=O)C1(NS(=O)(=O)N2CCCC[C@H]2C)CCCCC1 27969408 BQUMELRDJUMCSF-GFCCVEGCSA-N 318.439 1.571 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1nc(C)cs1)C(F)(F)F 2227402 GDDARBRITWVNCO-SECBINFHSA-N 311.285 1.431 0 40 DDAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(C(N)=O)CC1 12894316 XBOQMUHYKVNVMO-JTQLQIEISA-N 300.362 1.181 0 40 DDAB O=CN1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 3408184 YBLBUBNBOVCNIS-UHFFFAOYSA-N 315.345 1.759 0 40 DDAB C[C@@H](NC(=O)Cn1nc(-c2ccco2)oc1=O)c1ccccc1 12917142 YRSPCRQDKOZHFY-LLVKDONJSA-N 313.313 1.974 0 40 DDAB Nc1nccnc1C(=O)OCC(=O)Nc1ccccc1Cl 3567936 YUICBUHYVHFDOO-UHFFFAOYSA-N 306.709 1.508 0 40 DDAB O=C(COc1ccccc1F)NCc1nnc2ccccn12 7898643 KQNHDHBGRPQZLW-UHFFFAOYSA-N 300.293 1.564 0 40 DDAB CCc1ncncc1C(=O)NCCNC(=O)Cc1ccccc1 65412465 DJCCIMWYVQGBRR-UHFFFAOYSA-N 312.373 1.128 0 40 DDAB O=C(Nc1ccccc1O)C1CCN([C@@H]2CCOC2=O)CC1 14078932 CMDIEQHINSMCEC-CYBMUJFWSA-N 304.346 1.358 0 40 DDAB CCCCN1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O 14138219 JZHHJMPMVSSAQM-UHFFFAOYSA-N 321.402 1.655 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cccs2)c2ccccc2O1 14251618 VMOAXPCWFGSYKV-LBPRGKRZSA-N 302.355 1.902 0 40 DDAB O=S1(=O)C[C@H]2N=C(S)N(c3ccc(Cl)c(F)c3)[C@@H]2C1 6645634 KCTMITDFTJLJCY-NXEZZACHSA-N 320.798 1.751 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 69569711 ASEMFPBNRTYRCE-AWEZNQCLSA-N 316.405 1.880 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)NCC[C@H](C)O)CC1=O 83827739 OKJZGOFYBCECBG-JSGCOSHPSA-N 304.390 1.489 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@@H](n2ccnc2)C1 69657294 BGYALLWLZLJFDC-OAHLLOKOSA-N 309.373 1.937 0 40 DDAB Cn1c(CN2CCN(CCO)CC2)nc2cc(Cl)ccc21 69652598 SYTNPKRMDJAHHH-UHFFFAOYSA-N 308.813 1.337 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606841 MRFTWHTYCOQQHY-JTQLQIEISA-N 302.421 1.237 0 40 DDAB CCCOCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69951327 VFPNHZFXAAUKKO-INIZCTEOSA-N 306.406 1.291 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 9725209 JIHDUVFYVCBMGS-HUUCEWRRSA-N 322.430 1.604 0 40 DDAB Nc1c(Cl)cccc1C(=O)OCC(=O)NCc1ccco1 9076996 AVXSUNNBXJSXCK-UHFFFAOYSA-N 308.721 1.988 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cc(C)nc(N)n1 72268324 RGFGXBTWSWCZPT-QWHCGFSZSA-N 303.410 1.737 0 40 DDAB O=C1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CCN1 93789561 QUAYPZUAFHLPTJ-MRXNPFEDSA-N 304.390 1.566 0 40 DDAB O=C(CNC(=O)c1cccs1)Nc1nc2ccccc2[nH]1 9466465 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DDAB Cc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)S(C)(=O)=O)CCC2 79040822 VTKBWEMLGOOYBZ-GZMMTYOYSA-N 316.448 1.720 0 40 DDAB Cc1cc(C)n(CCOC(=O)c2ccc3c(C)nn(C)c3n2)n1 95459532 MMEFKUSHNTUNAF-UHFFFAOYSA-N 313.361 1.947 0 40 DDAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc[nH]n1 95449703 VGJVTCPDTGNNJT-GFCCVEGCSA-N 322.727 1.738 0 40 DDAB CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc2ccccc2o1 84937886 CHVVJUOJGMTSSM-NSHDSACASA-N 308.359 1.332 0 40 DDAB C[C@@H]1CN(CCCCNC(=O)c2ccncc2F)C[C@@H](C)O1 85456461 FNVFNMSQNQVNDJ-CHWSQXEVSA-N 309.385 1.840 0 40 DDAB CCNC(=O)NC(=O)Cn1c(-c2ccc(Cl)cc2)coc1=O 95997481 QBOBUZQGNGFYBY-UHFFFAOYSA-N 323.736 1.607 0 40 DDAB COCc1ccccc1CNC(=O)CN1CC[C@@]2(CCOC2)C1 89420376 MLSCLLGJXRGSPH-GOSISDBHSA-N 318.417 1.562 0 40 DDAB O=C(NC(=S)Nc1ccccn1)c1ccc2c(c1)OCCO2 21596199 ULIVQUPOIFEEDO-UHFFFAOYSA-N 315.354 1.980 0 40 DDAB C[C@H](N)C(=O)N(C)C[C@H]1CCCN1C(=O)OCc1ccccc1 79393075 BXEBNNKBZYDGEF-DZGCQCFKSA-N 319.405 1.593 0 40 DDAB O=C(C1CC1)N1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337610 AUXJRUYCESFKEL-UHFFFAOYSA-N 319.390 1.064 0 40 DDAB O=c1c2cc3c(cc2nnn1Cc1cccc(F)c1)OCCO3 32647309 NSSMROFYXWDORB-UHFFFAOYSA-N 313.288 1.750 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)/C=C/c2ccncc2)CC1 79050224 IEVWAICDCANVLB-MBVDDHJVSA-N 302.422 1.237 0 40 DDAB NCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392837 RMHIZQHCPPOEIR-KGLIPLIRSA-N 305.378 1.299 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1 72237949 SOHCPFHSNJIRPP-CVEARBPZSA-N 302.374 1.644 0 40 DDAB Cc1cccc(OC[C@H](O)CNC(=O)Cn2cc(C)cn2)c1 77613459 IZUVRFNBKYLTQW-CQSZACIVSA-N 303.362 1.056 0 40 DDAB CNC(=O)c1nn(C)c(NC(=O)CCc2ccccc2)c1F 41070632 PWMAWOPWVIHOSF-UHFFFAOYSA-N 304.325 1.490 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 195543843 BWEHYKCFRFXMLF-RDBSUJKOSA-N 317.437 1.572 0 40 DDAB C[C@@H](C(=O)N(C)CCN1CCCC1=O)[C@H](N)c1ccccc1 225472594 QFFYZXBAZOMKAF-CJNGLKHVSA-N 303.406 1.403 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cn3cccc3)C2)n1 225404172 MQCJABDPFXOCKO-CYBMUJFWSA-N 315.377 1.024 0 40 DDAB C[C@@H]1SCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[C@@H]1C 195530437 VPHSVPHCDJOALA-DYEKYZERSA-N 310.463 1.987 0 40 DDAB CC(C)CNC(=O)Cn1cc(COc2ccccc2F)nn1 227167826 HNIFQUOVKPFEHS-UHFFFAOYSA-N 306.341 1.768 0 40 DDAB C[C@@H]1CN(CC(F)(F)F)CCN(c2cc(=O)n(C)cn2)C1 572014954 DLOBWESISKBWHJ-SNVBAGLBSA-N 304.316 1.101 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCN1CCCC1)O2 40808733 ZEDJKMSSLVUFHF-QGZVFWFLSA-N 317.389 1.297 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C[C@@]1(O)CCCN(C)C1 226137292 WEYGMJAATYFTLO-MAUKXSAKSA-N 320.433 1.605 0 40 DDAB Cc1nc(C(=O)NCCn2cnc3ccsc3c2=O)cs1 225773194 DLKQVGFKSHLYEV-UHFFFAOYSA-N 320.399 1.653 0 40 DDAB Cc1ccccc1CC(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225804396 MEMILDIEKPDRAE-UHFFFAOYSA-N 324.340 1.592 0 40 DDAB CN(C)S(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 225587758 VHYMMNZURCYPDR-UHFFFAOYSA-N 305.327 1.320 0 40 DDAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)C(F)(F)F 97378149 POFLXRDDDLMOBT-UWVGGRQHSA-N 312.332 1.851 0 40 DDAB COCC(=O)N1C[C@H]2CCC[C@@H](OCc3cccnc3)[C@H]2C1 96183020 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Cc1ccccc1[C@@H](C)CC(=O)NCCCNS(C)(=O)=O 96407477 PLOKSBDIMRNGQP-ZDUSSCGKSA-N 312.435 1.544 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216958 AYTDSAJMFRPHIF-PBHICJAKSA-N 316.405 1.475 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1Cc2ccccc2NC1=O 528542571 QHIMXJYTXLJRDJ-LBPRGKRZSA-N 321.358 1.133 0 40 DDAB COc1ccccc1[C@@H]1CN(C(=O)c2cncnc2)CCN1C 257248753 JFALXDYJCBITPU-HNNXBMFYSA-N 312.373 1.614 0 40 DDAB CCN(CC)CCO[C@H]1CCN(c2ncnc3onc(C)c23)C1 252484550 FYZWUGXBIJUHKH-ZDUSSCGKSA-N 319.409 1.863 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)c1 257333802 YDCQNCYLBMPWBV-GFCCVEGCSA-N 301.350 1.093 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1 257337821 YUNQKYXWUGPCGP-VIFPVBQESA-N 306.347 1.161 0 40 DDAB Cn1cccc1C(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257236838 HDZWZHYVCIXGHT-ZDUSSCGKSA-N 300.362 1.146 0 40 DDAB Cc1cc(CCC(N)=O)nc([C@H]2CCCN2c2ncccn2)n1 257323442 WKEQYGRGRAWCGW-CYBMUJFWSA-N 312.377 1.334 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257307882 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C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1nnc(O)n1C 585140405 DCMFZOOXVANASS-BYPYZUCNSA-N 318.230 1.568 0 40 DDAB COC[C@@H]1CN(CC2CC2)C2(C1)CN(C(=O)c1cnc(C)[nH]1)C2 585093998 XQZJNTMGKOVACJ-AWEZNQCLSA-N 318.421 1.291 0 40 DDAB O=C(O)CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585269220 MALCFIMFQWAWMA-KBPBESRZSA-N 309.337 1.585 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1ccccc1 42869218 DEHXGNHTTWHCAF-GJZGRUSLSA-N 322.430 1.590 0 40 DDAB NC(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)s2)C1 49008649 IXIDWUGDMRWAMB-VIFPVBQESA-N 315.826 1.851 0 40 DDAB CN(CC(N)=O)C(=O)c1cc2cc(Br)ccc2o1 49248623 HIADRZTWBLNOHE-UHFFFAOYSA-N 311.135 1.753 0 40 DDAB O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1noc(C2CC2)n1 67099482 HUNVCUOGXRXWJF-UHFFFAOYSA-N 302.334 1.558 0 40 DDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC2CC2)n1 72339959 XEERGWZPTHVUKZ-LLVKDONJSA-N 315.377 1.100 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H](CN)CCS2(=O)=O 91302953 XFQDYPAMJPTJSR-LLVKDONJSA-N 318.439 1.150 0 40 DDAB CCC(=O)N[C@@H]1C[C@@H]2C(=O)Nc3c(C)cccc3[C@H]2OC1=O 5791903 PLYNMYXRDBMNTN-MISXGVKJSA-N 302.330 1.446 0 40 DDAB Cn1c(=O)n(CC(=O)NCc2ccc(F)cc2)c2cccnc21 13265422 GYUYUWIXMXRZJM-UHFFFAOYSA-N 314.320 1.191 0 40 DDAB NC(=O)c1ccc(COC(=O)CN2CCCCCC2=O)cc1 16118949 KHVJPFYGSMKWLP-UHFFFAOYSA-N 304.346 1.231 0 40 DDAB CN(C)c1ncccc1CN1CC[C@@H]2NC(=O)CCCC[C@H]21 19713227 XWSUZRJOSQKXRB-LSDHHAIUSA-N 302.422 1.781 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(F)c(F)c2)s1 8321978 XBMDJWIPBCFWHW-BKKXBQFWSA-N 323.364 1.939 0 40 DDAB COC(=O)[C@@H]1[C@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C[C@H]21 503879446 FSIXOOURIXFGMQ-BFHYXJOUSA-N 309.387 1.425 0 40 DDAB O=C(NC[C@@H]1CCCO1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359862 HAIVNHFKMWHTEH-OCCSQVGLSA-N 303.362 1.270 0 40 DDAB CN(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(F)(F)F)cn1 528510093 VZQKPWAYHAGELX-JTQLQIEISA-N 323.340 1.863 0 40 DDAB CN(C)c1ccnc(N2CCN(c3ncc(Cl)cn3)CC2)n1 1888842682 RKGOWHMRMBYXDT-UHFFFAOYSA-N 319.800 1.313 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)[C@H]1CCOC1 1776009208 ATGPRRHQPSRHIJ-VIFPVBQESA-N 304.375 1.033 0 40 DDAB O=C(C1CC1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 1142677321 PSBQIZKIAVCUCN-OAHLLOKOSA-N 322.359 1.951 0 40 DDAB Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)s1 1565542831 VYBBBONJZGTRGW-HNNXBMFYSA-N 309.435 1.441 0 40 DDAB COc1ccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 4940960 CUICCJILODDCRV-UHFFFAOYSA-N 314.407 1.143 0 40 DDAB CC(=O)N1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 2055730041 URGMGNTYRZEMOO-XGWLTEMNSA-N 317.389 1.826 0 40 DDAB CC(=O)[C@@H]1[C@H](c2cccc(C)c2)NC(=O)N[C@]1(O)C(F)(F)F 102824036 UCQANRNMCGXMLU-NTZNESFSSA-N 316.279 1.805 0 40 DDAB O=C(Cc1noc2ccccc12)N1CC[C@H](Oc2cccnn2)C1 225409616 OCXNGBAVINTENL-LBPRGKRZSA-N 324.340 1.840 0 40 DDAB Cn1c(C(=O)N2CCC3(CC2)CNC(=O)C3)cc2ccccc21 531217906 DNCBMQYVNRPCSL-UHFFFAOYSA-N 311.385 1.921 0 40 DDAB O=C(/C=C/c1ccco1)NC1CCN(c2cnsn2)CC1 575616583 QPTASAQMJFDRGS-ONEGZZNKSA-N 304.375 1.930 0 40 DDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CCCCO1 21735897 KCSPXVASYLFDBR-SJKOYZFVSA-N 316.357 1.785 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)cc1 65599 XOKVKNWASIHRRR-LBPRGKRZSA-N 301.306 1.231 0 40 DDAB Cc1nc(CNC(=O)NC[C@@H](O)COc2ccccc2)cs1 45343341 VKBKZARDRRKSDF-CYBMUJFWSA-N 321.402 1.691 0 40 DDAB CCCCS(=O)(=O)N(C)C(=O)c1cc(OC)cc(OC)c1 75107932 LBHGWSUJLHPMKE-UHFFFAOYSA-N 315.391 1.906 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1 359895 QBAAYTJNDVIWIZ-KPWCQOOUSA-N 313.309 1.306 0 40 DDAB Cc1ccc(C)n1-c1c(C(=O)N(CC(N)=O)C(C)C)cnn1C 69414350 DTXHBWMXJODVMR-UHFFFAOYSA-N 317.393 1.164 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(C)c(C)c2)n1 568936 APJAUAYOGDKVDZ-UHFFFAOYSA-N 318.406 1.827 0 40 DDAB O=C(CCc1ccco1)NCCCNC(=O)c1cccc(O)c1 69493622 NPXPLJBBKIPCDS-UHFFFAOYSA-N 316.357 1.854 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2cc(F)ccc2F)CC1 40476671 WMNVZESBTRWZMX-UHFFFAOYSA-N 318.345 1.208 0 40 DDAB CC(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 40543475 PYMOBWFSTUGPIT-ZDUSSCGKSA-N 311.403 1.778 0 40 DDAB COC(=O)C(=O)[C@H](CC(=O)Nc1c(C)cccc1C)C(=O)OC 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CC(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 2635921 QEYUWGSONUFERI-UHFFFAOYSA-N 302.403 1.849 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@H](C)CN2CCCC2)c(=O)[nH]1 75122249 LDOILVOSBKGNPC-CYBMUJFWSA-N 306.410 1.275 0 40 DDAB CCOC(=O)C1=C(CNC(C)(C)C)NC(=O)N[C@@H]1c1ccco1 23697546 FZALNMOHTYZWNO-CYBMUJFWSA-N 321.377 1.839 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCOC1)c1ccc2c(c1)CCC(=O)N2 46986844 KWVAPQNACKLMSV-NEPJUHHUSA-N 317.389 1.968 0 40 DDAB CC(C)c1noc(Cn2c(S(C)(=O)=O)nc3ccccc32)n1 22751367 VQYYQPRXBLUHIT-UHFFFAOYSA-N 320.374 1.995 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 104091030 XAZOOGOOYFXZMK-CLROSIBMSA-N 316.401 1.790 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)C1 53894838 WOGBJKSEPLKKMB-NSHDSACASA-N 301.371 1.758 0 40 DDAB O=c1n[n+]([O-])c2cc(Br)cc(Br)c2[nH]1 100094881 JZFBDNJBKVGDJU-UHFFFAOYSA-N 320.928 1.082 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23016978 HMDGMMOBBJILMM-CHWSQXEVSA-N 322.430 1.896 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CCc4sccc4C3)nc21 54417991 IPJYBLHNUWQFOJ-UHFFFAOYSA-N 301.375 1.276 0 40 DDAB O=C([C@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2)N1CCOCC1 106649883 IFQMEMFEGCCWAF-YHUYYLMFSA-N 320.433 1.663 0 40 DDAB NC(=O)c1csc(CCN2C(=O)c3ccccc3C2=O)n1 1415073 YOCFHOUDPVQXED-UHFFFAOYSA-N 301.327 1.081 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 55645347 VWOUWODMWRXMCQ-HIFRSBDPSA-N 322.430 1.566 0 40 DDAB Cn1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cn1 25309469 BIVFSIOADQWKNZ-UHFFFAOYSA-N 300.240 1.239 0 40 DDAB O=C(Cn1cccnc1=O)Nc1ccc2oc(C3CC3)nc2c1 25302050 QHEBVUNBUBIVDG-UHFFFAOYSA-N 310.313 1.901 0 40 DDAB CNC(=O)N(O)[C@@H]1N(C)C(=O)N(Cc2ccccc2)C1(C)C 1513690 BCHDAIOOSYWEDX-LBPRGKRZSA-N 306.366 1.689 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccc(-n3ccnc3)nc2)CC1 43680529 NJEBOSXLDDFLPA-UHFFFAOYSA-N 313.361 1.008 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc2c(c1)OCCO2 47746705 VCTDLYBXCDRZFD-CMPLNLGQSA-N 304.346 1.161 0 40 DDAB CO[C@@H]1[C@H](C)[C@H](NC(=O)CCn2c(C)csc2=O)C12CCC2 108171103 MEZMRRVNEHSHOZ-KWCYVHTRSA-N 324.446 1.928 0 40 DDAB Cc1ccnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)n1 35655088 KGQCFJDFQMJGOI-UHFFFAOYSA-N 319.386 1.729 0 40 DDAB O=S(=O)(C[C@@H]1CCCO1)c1nc(CCC2CCCC2)n[nH]1 108592805 SPAKNKPHNBWUQY-LBPRGKRZSA-N 313.423 1.880 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(Cl)cc1F 3234892 LTGLKVDLNODPNM-UHFFFAOYSA-N 301.734 1.733 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 62119986 OZBNUBATOPBTAC-SSDOTTSWSA-N 307.730 1.574 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1cccs1 27625784 VYDKSXVYYKDWHV-UHFFFAOYSA-N 324.427 1.733 0 40 DDAB C[C@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)[C@@H](C)CO1 44916520 ZVYBLSDILWIHBM-UWVGGRQHSA-N 323.374 1.201 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)Cn3cccn3)cn2)C[C@@H](C)O1 44966834 QTRYKQBLYGMIOA-BETUJISGSA-N 315.377 1.530 0 40 DDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCCO1 27864601 USAUJKINNNVEEE-SMDDNHRTSA-N 317.393 1.357 0 40 DDAB CN(C)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58380191 QZORRVALZRDTGC-KGLIPLIRSA-N 313.357 1.349 0 40 DDAB COc1ccc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)[nH]c2c1 58404103 YEVOGQNMVMKWHI-OAHLLOKOSA-N 322.386 1.484 0 40 DDAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCO1 58407744 LBCDSXGSIDWHRM-MRXNPFEDSA-N 304.390 1.314 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 48285687 SJAHOPOHVYMUBX-LLVKDONJSA-N 310.361 1.711 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)Cn1c(=O)n(C)c2ccccc21 48301407 YKXSSNXCJQGLTQ-CYBMUJFWSA-N 317.389 1.225 0 40 DDAB NC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 12869366 LDKSPTJMNHPUAJ-UHFFFAOYSA-N 314.326 1.395 0 40 DDAB CCOC(=O)[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 3400364 UJJODOLFAGMGQE-NSHDSACASA-N 321.402 1.531 0 40 DDAB COc1ccccc1OCC(=O)NC1(C(=O)O)CCCCC1 13168324 FNZXSFXHDNQFIC-UHFFFAOYSA-N 307.346 1.978 0 40 DDAB O=C(N[C@@H](C(=O)O)c1ccccc1)[C@@H]1Cc2ccccc2CN1 4084507 LBNIQBXQCYMKOO-JKSUJKDBSA-N 310.353 1.643 0 40 DDAB biogenic C[C@H]1CCc2c(sc3ncnc(N4CCNC(=O)C4)c23)C1 7984896 AWJDTQZDHJXHSV-VIFPVBQESA-N 302.403 1.752 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 4218316 GHCKUEBYHJNTNM-UHFFFAOYSA-N 321.757 1.964 0 40 DDAB Cc1cccc(C2(NC(=O)C[C@H]3NC(=O)NC3=O)CCCC2)c1 69557451 KJNIGKARMARYRL-CYBMUJFWSA-N 315.373 1.479 0 40 DDAB C[C@@H]1C[C@H](c2ccccc2)n2nc(NS(C)(=O)=O)nc2N1 5497987 BTBPSPJYTFUGLY-MWLCHTKSSA-N 307.379 1.443 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@@H](C)O[C@H](C)C3)cnc12 17327817 KOPOUPYOGSBIIT-CHWSQXEVSA-N 315.373 1.341 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 6778337 XZQPYCYGHNQRTE-OXMMTESCSA-N 307.390 1.338 0 40 DDAB Cc1cc(C)c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c(=O)[nH]1 81818248 OTNHHOMVVCSYSP-KRWDZBQOSA-N 318.373 1.839 0 40 DDAB NS(=O)(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 69951756 AJEPZMCUSMLQIG-GFCCVEGCSA-N 304.799 1.002 0 40 DDAB CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1nnc2n1CCC2 83855596 FSPPLDBGXQNQRQ-MNOVXSKESA-N 309.439 1.650 0 40 DDAB CCOC(=O)[C@H]1CCCC12N1CC3(C)CN2CC(C)(C1)C3=O 19329228 YSIUGGXAZCQVOY-LLICYXQZSA-N 306.406 1.272 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 89938331 NYTRDTYDGZSQEF-LLVKDONJSA-N 302.353 1.992 0 40 DDAB O=C(C1CC1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005259 MEPKPQCHNLHFBY-ZDUSSCGKSA-N 300.424 1.249 0 40 DDAB C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 71413051 RAAFCTRPZNWDPG-HQJQHLMTSA-N 308.325 1.380 0 40 DDAB C[C@H]1CC(C)(C)C[C@](CO)(NCCC(=O)N2CCOCC2)C1 96444929 VAXSEYTUHIDGRD-WMLDXEAASA-N 312.454 1.402 0 40 DDAB CN1C[C@@H](NC(=O)N[C@H]2CCc3ccc(F)cc32)CCC1=O 96415487 QHJJKCHFMZXQDZ-JSGCOSHPSA-N 305.353 1.733 0 40 DDAB CN(Cc1cccs1)C(=O)CN1CCc2c(ncn2C)C1 71878967 SCFCBNFBICIXOR-UHFFFAOYSA-N 304.419 1.498 0 40 DDAB C[C@@H](CO)NC(=O)C(=O)Nc1cc(Br)ccc1F 76018249 INFGWYCIRUAWQC-LURJTMIESA-N 319.130 1.024 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)Nc1cccnc1 71876458 QTBLPVKWMYWCAO-CQSZACIVSA-N 300.366 1.166 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 71871432 CPKDBWAWEMMFDN-MAZHCROVSA-N 322.836 1.969 0 40 DDAB Cc1nnc2n1CCN([C@H](C)C(=O)Nc1ccnn1C(C)C)C2 72252993 WILCHRYVDPHHDQ-LLVKDONJSA-N 317.397 1.207 0 40 DDAB CC(C)(O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 72291114 DEQVUSSMHFTXLW-UHFFFAOYSA-N 304.268 1.531 0 40 DDAB C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](n2cncn2)C1 72287472 WCNPREOHXWPJKC-STQMWFEESA-N 301.350 1.304 0 40 DDAB COC(=O)C1(NC(=O)Cn2cccc(C)c2=O)CCCCC1 84247919 PKDLNGIQLBHAKG-UHFFFAOYSA-N 306.362 1.149 0 40 DDAB Cc1cnn(CCC(=O)N2CCC3(CC2)OCC(C)(C)CO3)c1 84265189 WAOWMLQADMJLNP-UHFFFAOYSA-N 321.421 1.973 0 40 DDAB Cc1noc([C@@H]2COCCN2C(=O)c2cc(Cl)cn2C)n1 97163967 GPXHRAHSRCIPDO-NSHDSACASA-N 310.741 1.584 0 40 DDAB CCc1sc(C(=O)NC2CCS(=O)(=O)CC2)cc1C 77171313 GWLGXXQUKLUQGF-UHFFFAOYSA-N 301.433 1.926 0 40 DDAB O=C(COCCOc1ccccc1)N[C@H]1CCc2nccn2C1 97197879 ASFZUKDIZBLFPB-AWEZNQCLSA-N 315.373 1.410 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c2c(C)nn(C)c2n1 27985178 VXBMOFVUBONPRF-GHMZBOCLSA-N 302.378 1.835 0 40 DDAB CCc1cnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900531 AKDUKESVAVLOOW-JTQLQIEISA-N 303.366 1.439 0 40 DDAB Cc1c(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cnn1C 95997956 NEELMGCXFSILSM-UHFFFAOYSA-N 322.372 1.684 0 40 DDAB CN(CCc1ccncc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 95999370 DVVGGTRKUMEJOP-HNNXBMFYSA-N 311.451 1.228 0 40 DDAB C[C@@H]1CCC[C@@H](C)N(S(=O)(=O)CCCS(C)(=O)=O)C1 95961875 WUTBKOFBZPBLOM-VXGBXAGGSA-N 311.469 1.261 0 40 DDAB CCc1ccc([C@H](COC)NC(=O)N2CCC[C@H](CO)C2)o1 74570793 BMIIFZVUBNSSIZ-JSGCOSHPSA-N 310.394 1.943 0 40 DDAB CSCC[C@H](C)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 75092446 YKNZAELCACQSQT-WCBMZHEXSA-N 300.346 1.837 0 40 DDAB Nc1nc(N2CCCCC2)ncc1C(=O)NCc1ccccc1 65154661 YVQQZPBORAHEQK-UHFFFAOYSA-N 311.389 1.979 0 40 DDAB CC(C)NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146267 UJDGUVHFVPVLLV-CQSZACIVSA-N 315.373 1.162 0 40 DDAB biogenic CCN(C)S(=O)(=O)N(C)[C@@H](C)Cc1ccc(OC)cc1 72709100 SMQFPUBYOFTZKH-LBPRGKRZSA-N 300.424 1.755 0 40 DDAB CN(C)C(=O)c1ccc(CN2CCC[C@H]2Cn2ccnc2)[nH]1 188407777 VIPASHIODDXLKK-AWEZNQCLSA-N 301.394 1.578 0 40 DDAB CNC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1 70666566 XPUDYZYBGZAQJJ-UHFFFAOYSA-N 312.325 1.926 0 40 DDAB biogenic CCOC1CC2(CCN(C(=O)N[C@@H]3CC[S@@](=O)C3)C2)C1 557714629 VKNRYACDRJEOFP-POTTWGCXSA-N 300.424 1.108 0 40 DDAB Cc1cccn2c(O)c(C(=O)NCCc3ccccc3)c(=O)nc12 136837108 RCLXPJUXQAUKFG-UHFFFAOYSA-N 323.352 1.681 0 40 DDAB Cc1nnc2sc(-c3cc(Br)c[n+](C)c3)nn12 226774003 KTZBTXZEORJKNE-UHFFFAOYSA-N 311.188 1.748 0 40 DDAB CCn1ccc(NC(=O)COc2cccc3c2NC(=O)CC3)n1 227167392 ZZTOTHTWQYQRIK-UHFFFAOYSA-N 314.345 1.805 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)N(C)c1ncccn1)OCO2 225754096 DAPUNBABTVQNPS-UHFFFAOYSA-N 307.331 1.339 0 40 DDAB CN(C)[C@H](CNC(=O)c1cnc(N)cn1)c1ccccc1Cl 573679626 SHVRUTQKIPUJCI-CYBMUJFWSA-N 319.796 1.745 0 40 DDAB C[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)C1 222682800 HVFBCCOLYPUQBE-CQSZACIVSA-N 324.446 1.707 0 40 DDAB CNC(=O)c1cccnc1N1CCN(c2ccc(F)cn2)CC1 89263326 GZWBJWNFKWPNJB-UHFFFAOYSA-N 315.352 1.302 0 40 DDAB CC1(C)CN(C(=O)c2cccc(-n3cccn3)n2)CC[S@]1=O 88206199 HKHKJOMAJDRMRE-QFIPXVFZSA-N 318.402 1.250 0 40 DDAB CCCn1c(C)nnc1S(=O)(=O)Cc1ccn(C(C)C)n1 195205710 NSZPFWDUADPWBK-UHFFFAOYSA-N 311.411 1.748 0 40 DDAB Nc1nn(-c2ncccc2Br)nc1Br 89262598 RRFAZAWLXHXIKM-UHFFFAOYSA-N 318.960 1.770 0 40 DDAB Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)cs1 96066206 ZSIIQTQAZKQHTB-TUKIKUTGSA-N 321.446 1.710 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(c2ncc(Cl)cn2)C1 95406781 LUKDMNMBHSIHJA-WDEREUQCSA-N 312.801 1.498 0 40 DDAB NC1CCN(c2nccn(Cc3ccc(F)cc3)c2=O)CC1 96530577 XEFJCLJISZOMHM-UHFFFAOYSA-N 302.353 1.358 0 40 DDAB Cc1nc(NCc2ccco2)nc2c1COC[C@]21CCNC1 96244622 UTKGBJZALOPISC-MRXNPFEDSA-N 300.362 1.751 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@H](C)CCc3cccn3C)nn12 96425736 BFRQIAFQMVLSJP-LLVKDONJSA-N 312.377 1.522 0 40 DDAB CC(C)c1nnc(CN2CCNC(=O)[C@@H]2c2cccs2)o1 96443538 PWXNATQZMGBFGY-LBPRGKRZSA-N 306.391 1.928 0 40 DDAB COc1c(C)cnc(Cn2c(-c3cnccn3)noc2=O)c1C 96411914 SLFBUJLSFMDCPP-UHFFFAOYSA-N 313.317 1.362 0 40 DDAB CN(C)C(=O)c1cc(NC(=O)c2noc3c2CCCC3)ccn1 96412031 OEZQMNGHHSEFBX-UHFFFAOYSA-N 314.345 1.903 0 40 DDAB CCCN(CCC)C(=O)CNS(=O)(=O)c1ccc(C)cc1 96332363 MOLUGSVEIVKUIZ-UHFFFAOYSA-N 312.435 1.922 0 40 DDAB C[C@@](O)(CNC(=O)Nc1nnc2ccccn12)c1cccs1 96418061 IYQSNKLFPJHDGB-CQSZACIVSA-N 317.374 1.820 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)/C=C/c1cnn(C)c1C 95441254 OATQTPSNFAPJEI-LXZFXBFKSA-N 317.389 1.446 0 40 DDAB O=C(CC1CC1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2C1 96082017 TUXLCXAUQQEZIE-HZPDHXFCSA-N 313.401 1.689 0 40 DDAB c1cnc(N2CC3(CC[C@@H](CN4CCCCC4)CO3)C2)nc1 247943679 HMMPJLNNQMSJHC-HNNXBMFYSA-N 302.422 1.948 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257274219 NKAPWXOZLUJUBY-LBPRGKRZSA-N 316.361 1.905 0 40 DDAB Cn1cccc1C(=O)NCc1ccnc([C@]2(C)CCCO2)n1 257261159 LFZOQFVCVHHZJO-INIZCTEOSA-N 300.362 1.771 0 40 DDAB CCN(Cc1cscn1)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257207034 BGBLCKPSLGJYAP-CQSZACIVSA-N 320.422 1.313 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3cnco3)CCO2)c1 257284242 PBVYDBZLJFUZAA-CQSZACIVSA-N 302.334 1.633 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1c1cccn1C 255960748 JLPYCDQGUSYRBY-NXSRCCIVSA-N 315.421 1.829 0 40 DDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2C2CCOCC2)n1 257248850 JFMVBCBNABBNJW-KRWDZBQOSA-N 318.421 1.635 0 40 DDAB Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cn1 257246685 IVILRYLHRULIDP-HZPDHXFCSA-N 315.373 1.003 0 40 DDAB CO[C@@]1(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CCSC1 96097723 BNKPOFWHPQVMDM-BLLLJJGKSA-N 322.430 1.502 0 40 DDAB C[C@]1(NCCNCc2cccc(Cl)c2)CCS(=O)(=O)C1 575423064 XWVMNLKDVMONJR-AWEZNQCLSA-N 316.854 1.596 0 40 DDAB O=C(N[C@@H]1CCn2nccc2C1)c1cccc(-n2cccn2)c1 575608230 JJKRLXKJNZZTDT-CQSZACIVSA-N 307.357 1.814 0 40 DDAB COCCN1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 585111443 ANFFFUFTCSSWPX-CHWSQXEVSA-N 321.421 1.797 0 40 DDAB CCc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)s1 48667653 ZTXKNNVDFBOCDA-UHFFFAOYSA-N 316.448 1.729 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 69841988 HCEUUQWOJZBOQH-VHSXEESVSA-N 316.423 1.002 0 40 DDAB Cc1cc(I)cn(Cc2ccon2)c1=O 97229903 LATSTFCAYMYMGK-UHFFFAOYSA-N 316.098 1.798 0 40 DDAB CN(Cc1ncnn1C)C(=O)c1sccc1Br 73391508 URFFZUDMTZZNEA-UHFFFAOYSA-N 315.196 1.911 0 40 DDAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC(N)=O 5533394 ZBBHRSGZUKKPAL-RXMQYKEDSA-N 305.117 1.734 0 40 DDAB COc1ncc(C2(O)CCN(Cc3ccco3)CC2)c(OC)n1 19594852 IIDNHXLNJJCRAW-UHFFFAOYSA-N 319.361 1.570 0 40 DDAB CC(=O)N1CC[C@@](C)(C(=O)N2CCC(c3nc(C)no3)CC2)C1 530849979 OOTNMJDAVJWZQB-MRXNPFEDSA-N 320.393 1.343 0 40 DDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1CCCO1 30870425 NNYPBKKBWYPBGL-SMDDNHRTSA-N 311.403 1.789 0 40 DDAB C[C@H](C(=O)NCc1csc(Br)c1)n1cncn1 31422623 JONXKZYVGAGUAF-SSDOTTSWSA-N 315.196 1.980 0 40 DDAB Cc1nc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CO3)cs1 1614934285 OVLNGNWOZAMIDZ-GFCCVEGCSA-N 309.435 1.777 0 40 DDAB O=C(c1ccccc1Br)N1CC(n2nccn2)C1 1565519628 JUIXNJBSBPEAEE-UHFFFAOYSA-N 307.151 1.738 0 40 DDAB O=C1[C@@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CCN1c1cncnc1 1565545097 VVPTVOCXNFMVDY-DGCLKSJQSA-N 318.352 1.180 0 40 DDAB CN1C[C@@]2(COCCN(Cc3cc(F)ccc3F)C2)CC1=O 1565541620 IJBKNPXMMPMPFV-INIZCTEOSA-N 310.344 1.646 0 40 DDAB CN([C@H]1CCCN(c2ncc(F)cn2)C1)S(=O)(=O)C1CC1 2086886930 FGUDYQFSPILCCB-NSHDSACASA-N 314.386 1.009 0 40 DDAB c1csc(OC2CCN(c3ccc4nncn4n3)CC2)n1 2086889111 AFSTZKLVHGWFHE-UHFFFAOYSA-N 302.363 1.629 0 40 DDAB Cc1cccc(C)c1N(CC(=O)N1CCCC1)S(C)(=O)=O 379677 JSQFHLPWCJNBJM-UHFFFAOYSA-N 310.419 1.692 0 40 DDAB CSCC[C@H](NC(=O)c1cccnc1SC)C(=O)O 2513516 HSEYYGFJBLWFGD-VIFPVBQESA-N 300.405 1.740 0 40 DDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCC1CCC1 40540905 LBGDWMQSMXXHHR-OAHLLOKOSA-N 317.368 1.821 0 40 DDAB C[C@H](CNC(=O)c1cncn1-c1ccccc1)N1CCOCC1 40509886 SYDSVMLTVNOJQO-CQSZACIVSA-N 314.389 1.323 0 40 DDAB CCN1C(=O)C(=O)N(Cc2coc(-c3ccc(C)cc3)n2)C1=O 31706907 PKJKHKIQQNJPRL-UHFFFAOYSA-N 313.313 1.961 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CSc3nncn3C)c2cc1C 51185565 BSOYEZGNBNPASL-GFCCVEGCSA-N 317.418 1.935 0 40 DDAB O=C(NCCc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4891892 FMBYMQRKBYIBDA-RQJABVFESA-N 321.760 1.653 0 40 DDAB C[C@@]1(NC(=O)Cc2ccccc2Cl)CCS(=O)(=O)C1 37077254 XHQANLMXHUXZBN-CYBMUJFWSA-N 301.795 1.576 0 40 DDAB Cn1cnnc1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75119477 LXUCDNMTUZRUJP-UHFFFAOYSA-N 309.329 1.100 0 40 DDAB Cc1cc(Sc2nnnn2C2CCCC2)n2ncnc2n1 8340148 WNWDWCDKFYDLNO-UHFFFAOYSA-N 302.367 1.686 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cccc(N2C(=O)CCC2=O)c1 8470576 STIURPGYTBHKSL-CYBMUJFWSA-N 302.330 1.249 0 40 DDAB O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1CCCO1 32747698 RAQIODXLCGRFJL-CYBMUJFWSA-N 301.346 1.964 0 40 DDAB CCc1ocnc1C(=O)N1C[C@H](CC)[C@@H](N2CCOCC2)C1 83817696 MDXFCBLQQPWQMW-STQMWFEESA-N 307.394 1.420 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(N)=O 75137268 SIKNJHTUXSBHCN-KWQFWETISA-N 321.406 1.173 0 40 DDAB Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cccc(F)c1F 75109693 QTXJRTWCESQUFQ-UHFFFAOYSA-N 300.286 1.762 0 40 DDAB COC(=O)[C@H](NC(=O)c1cnc2ccccc2n1)C(C)(C)C 75141241 ZPZSLVXFAQDLTG-ZDUSSCGKSA-N 301.346 1.947 0 40 DDAB CN1N=C(C(=O)N(Cc2ccccc2F)C2CC2)CCC1=O 21934851 RQZQRWBHOAAHLX-UHFFFAOYSA-N 303.337 1.925 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)n1 104171989 ZFNWZWHLUUQZBZ-GHMZBOCLSA-N 305.382 1.139 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[C@H](C(N)=O)C1 46941252 DQLJPSDIUULXDE-UWVGGRQHSA-N 309.341 1.412 0 40 DDAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)[nH]1 23492429 HYNFWFRLTYOZGO-MRXNPFEDSA-N 315.329 1.874 0 40 DDAB C[C@H]1CN(CCCNc2nnnn2-c2ccccc2)C[C@@H](C)O1 23619201 OBOBSQPTAYQVGT-OKILXGFUSA-N 316.409 1.574 0 40 DDAB COc1cc(CNC(=O)c2cnn(-c3ccccc3)n2)ccc1O 47512723 GQUBLZDURIRIDT-UHFFFAOYSA-N 324.340 1.912 0 40 DDAB C[C@H](O)CN1CCC(CN(C)C[C@@H](O)c2ccc(F)cc2)CC1 106842802 REARDKSSSHKOOP-KBXCAEBGSA-N 324.440 1.884 0 40 DDAB CN1C(=O)C(=O)N(CN[C@H](c2cccs2)C(C)(C)C)C1=O 57091221 PIJWLVGSENEOLX-SNVBAGLBSA-N 309.391 1.803 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCCO1 44891002 IFIMVNXPMOKSHK-ZDUSSCGKSA-N 306.362 1.778 0 40 DDAB CC(=O)NCCNC(=O)c1sc(C)nc1-c1ccccc1 27672357 WTYNFJVUNRTKIZ-UHFFFAOYSA-N 303.387 1.984 0 40 DDAB CCOCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 20868141 PKAYJQYTHQDWCY-SNVBAGLBSA-N 309.318 1.365 0 40 DDAB CCN(CC)C(=O)CN1CCN(C(=O)CC2CCCC2)CC1 58295881 LBOOFCGOVSGLTK-UHFFFAOYSA-N 309.454 1.579 0 40 DDAB C[C@@H](C(=O)NC[C@@H](C)N1CCc2ccccc2C1)n1cncn1 44909735 GSDSXXKMQBROOR-KGLIPLIRSA-N 313.405 1.402 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 44937599 NBMMLFKQUHCZPM-JKSUJKDBSA-N 324.446 1.990 0 40 DDAB CCn1c(=O)n(CC(=O)N[C@@H](C)[C@H]2CCCO2)c2ccccc21 27884317 WNBZSQOEBYETHP-SWLSCSKDSA-N 317.389 1.507 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 58392904 VFMXVVMQITUQSU-CYBMUJFWSA-N 320.389 1.593 0 40 DDAB O=C(NCc1nccs1)[C@@H]1CCCN1C(=O)c1ccco1 58415589 ZGWLAPUQGJEPAR-JTQLQIEISA-N 305.359 1.657 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1N 3484306 RZUZVKQLBHVXAV-ONGXEEELSA-N 309.439 1.656 0 40 DDAB Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)O)c2)c(C)s1 38030414 JMDRHAFQLJLWNG-UHFFFAOYSA-N 315.376 1.447 0 40 DDAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCCC1 48486432 ZLYFWROFARNKJT-UHFFFAOYSA-N 303.362 1.787 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)Nc1cccnc1OC 48414810 BEABZXGVGLFAQV-CYBMUJFWSA-N 317.345 1.954 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1C 12923178 GLTZGKBPPMBDMN-JTQLQIEISA-N 318.352 1.574 0 40 DDAB Cc1c(NC(=O)CCC(=O)O)c(=O)n(-c2ccccc2)n1C 3603334 STFOYVGOXBPLTJ-UHFFFAOYSA-N 303.318 1.288 0 40 DDAB O=C(C[C@@H]1CCCO1)NS(=O)(=O)Cc1ccc(Cl)nc1 49515087 BRWXRIAPUOAGBJ-JTQLQIEISA-N 318.782 1.250 0 40 DDAB c1cnn(C[C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)c1 69451590 OOFDTRRAURMUKA-CYBMUJFWSA-N 315.333 1.427 0 40 DDAB CNC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 13655122 YFEGZDSTMXIXLQ-UHFFFAOYSA-N 301.415 1.884 0 40 DDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)C1CC1 6058504 HPUMUBWZFSPESD-UHFFFAOYSA-N 324.764 1.690 0 40 DDAB CCSc1nnc(NC(=O)COc2cc(C)on2)s1 9050528 QYODEXUXMYNKEP-UHFFFAOYSA-N 300.365 1.964 0 40 DDAB O=C(NCC(=O)N1CCc2sccc2C1)Nc1ccccn1 65542742 IRHMQHXVVDXFIM-UHFFFAOYSA-N 316.386 1.850 0 40 DDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)Cc1ccc(C)s1 69660660 WHAVFWJGEYVYQK-GFCCVEGCSA-N 312.460 1.979 0 40 DDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1CC1CC1 69778743 OGINOWHUCVAFAY-LSDHHAIUSA-N 316.405 1.133 0 40 DDAB Cc1cc(NCC2(N(C)CCO)CCCCC2)n2ncnc2n1 69739047 WWJRUWQVMXNZLT-UHFFFAOYSA-N 318.425 1.472 0 40 DDAB c1cncc(-c2noc(CN3CCCC[C@H]3C3OCCO3)n2)c1 69812655 AYKMXMWNZSPPDC-ZDUSSCGKSA-N 316.361 1.859 0 40 DDAB Fc1ccc(-c2nnc(CN[C@@H]3CCc4ncnn4C3)o2)cc1 69849096 NIZZGVWGLMYJFL-GFCCVEGCSA-N 314.324 1.572 0 40 DDAB COC(=O)c1cc(NC(=O)C2=COCCO2)cc(C(=O)OC)c1 15013001 DLRCRUQJBVWKJO-UHFFFAOYSA-N 321.285 1.087 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(OC)cc1 8744018 GYAWUIBBBDYWMK-GFCCVEGCSA-N 318.329 1.217 0 40 DDAB Cc1sc2ncc(C(=O)Nc3nncs3)c(=O)n2c1C 61719892 XFDWCTRBLMGQRF-UHFFFAOYSA-N 307.360 1.477 0 40 DDAB Cc1ccc(CNC(=O)COC(=O)c2ccc[nH]c2=O)cc1 16045211 UZHXNKOVFTXELL-UHFFFAOYSA-N 300.314 1.157 0 40 DDAB Cc1cc2c(cc1NC(=O)CN1CCCC1)n(C)c(=O)n2C 9607695 GNJUAPAJBBRBTO-UHFFFAOYSA-N 302.378 1.220 0 40 DDAB CCOC(=O)Cc1c(C)nc(Cc2ccc(OC)cc2)[nH]c1=O 22113418 WDCGZNLOEDYHNT-UHFFFAOYSA-N 316.357 1.783 0 40 DDAB COC(=O)[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 71924079 LFFXAUYOAVICJI-LBPRGKRZSA-N 311.426 1.644 0 40 DDAB CCOC(=O)[C@](C)(NC(=O)CS(=O)(=O)CC(C)C)C(C)C 71914402 RXWZSRLFPVJWGU-CQSZACIVSA-N 321.439 1.151 0 40 DDAB CC[C@H](C)[C@@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O 71908341 NFYKMYGYGGSFRD-JOYOIKCWSA-N 302.371 1.145 0 40 DDAB CN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)C1CCC1 96499912 XGTSDKMUJAPBGB-QWHCGFSZSA-N 306.387 1.702 0 40 DDAB CCOC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 9745508 WXZJOYPTFVJPRQ-UHFFFAOYSA-N 309.343 1.935 0 40 DDAB CC(C)c1nc(NC(=O)Cc2cn3ccsc3n2)n(C)n1 72285190 HTXBKCDKWQEWJN-UHFFFAOYSA-N 304.379 1.829 0 40 DDAB C[C@H]1C[C@@H](N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C(=O)O1 72289499 CEXUVMNGWBKIBO-NWDGAFQWSA-N 322.409 1.189 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)cc(F)c1 72294328 UBQOINYADUNFHW-TVQRCGJNSA-N 312.316 1.571 0 40 DDAB Cc1cc(C)nc(NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 97143019 IRXIGNQHTJJGET-AWEZNQCLSA-N 316.409 1.856 0 40 DDAB CCc1noc(CN(C)C(=O)c2ccccc2-n2ccnn2)n1 97107283 QNWGRIUSMSBGHN-UHFFFAOYSA-N 312.333 1.485 0 40 DDAB CNC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1F 97102625 XSQGRZZWDUJLPP-AAEUAGOBSA-N 307.369 1.659 0 40 DDAB Cn1c(CO)nnc1Sc1nc(-c2ccccc2)ns1 97163628 XOFZBPGOQFXMAE-UHFFFAOYSA-N 305.388 1.977 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1c(C)nn(C)c1Cl)CC2 72302226 ICZNDCCKMJNUMD-UHFFFAOYSA-N 321.812 1.517 0 40 DDAB CCNC(=O)C1CCN(C(=O)c2n[nH]c3ccc(C)cc23)CC1 97512891 NCJVUZXEEPGOCO-UHFFFAOYSA-N 314.389 1.860 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Oc1cc(F)ccc1F 75582979 ZROQLJFLNOUMIS-NSHDSACASA-N 319.329 1.684 0 40 DDAB CC(C)(C)c1cc(N2CCO[C@@H](C(N)=O)C2)nc(C(C)(C)C)n1 95418164 JMLDWTWRUFJAOH-LLVKDONJSA-N 320.437 1.762 0 40 DDAB COC(=O)[C@H]1CCCC[C@@H]1OC(=O)CCCCCNC(C)=O 95456195 ZYOBXLNFYAISIP-KBPBESRZSA-N 313.394 1.958 0 40 DDAB Cc1cccc(C)c1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 95460645 QTHKFJUTYFCFTP-UONOGXRCSA-N 304.390 1.669 0 40 DDAB CCCN(CC(F)F)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 84755158 QQULHHCBZRTKKB-TVQRCGJNSA-N 306.378 1.944 0 40 DDAB COc1ccc(CNC(=O)N[C@H]2CCC[C@H]2C(N)=O)cc1OC 76089416 CGQLDCCCFIXRMT-NEPJUHHUSA-N 321.377 1.157 0 40 DDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CC3CCOCC3)C2)C1=O 76058858 GZZJPSBDNBSOKE-CJNGLKHVSA-N 309.410 1.065 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)c3ncoc3C(C)C)CCO2)n1 76044836 GCMVZFRTLOFLAW-SNVBAGLBSA-N 305.338 1.438 0 40 DDAB C[C@@H]1Cc2cc(S(=O)(=O)NC3CCC(N)CC3)ccc2O1 95972595 QFIVUAAKYOIQHP-QFWMXSHPSA-N 310.419 1.558 0 40 DDAB CC(C)C(=O)NCCN(C)C(=O)c1c(F)cc(F)cc1F 95982045 NWMAOQQEJPWKNQ-UHFFFAOYSA-N 302.296 1.948 0 40 DDAB CC(C)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)n[nH]1 79488036 NJWKHZFGEFLKJX-NSHDSACASA-N 312.337 1.143 0 40 DDAB CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20458285 LVCXHWQFNWIQSD-UHFFFAOYSA-N 312.391 1.510 0 40 DDAB N[C@@H]1CN(C(=O)NCc2cccc3c2CCNC3)CC12CCC2 1550739374 KJPZHGBRJRLWFU-MRXNPFEDSA-N 314.433 1.355 0 40 DDAB Cc1cc(S(=O)(=O)NC2(CN)CCOCC2)sc1C 528057495 XCOLRMCAEYBSHD-UHFFFAOYSA-N 304.437 1.151 0 40 DDAB Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)C3CC3)C2=O)c(C)c1 188620206 HEVODUFRLIMNJT-AWEZNQCLSA-N 322.430 1.799 0 40 DDAB Cc1c(NC(=O)COc2ccccc2)c(C(=O)N(C)C)nn1C 72250649 UMBNDHGILUFDGX-UHFFFAOYSA-N 316.361 1.448 0 40 DDAB COc1ccc(S(=O)(=O)NCCc2c(C)n[nH]c2C)c(C)c1 74800552 DOHZYNPFFSXDQM-UHFFFAOYSA-N 323.418 1.865 0 40 DDAB CC(=O)N1CCN(c2ccc([C@@H](O)c3ccccc3)cn2)CC1 72225637 PXWXEHLTTFXZDA-SFHVURJKSA-N 311.385 1.832 0 40 DDAB CCS(=O)(=O)C1CN(C(=O)c2ccc3ncsc3c2)C1 225747090 TXOQLXHTXRKNJV-UHFFFAOYSA-N 310.400 1.555 0 40 DDAB COC[C@@H]1CN(Cc2c(C(=O)O)oc3ccccc23)CCO1 568066306 WPPYOCDODGAJTL-NSHDSACASA-N 305.330 1.978 0 40 DDAB C[C@@H]1CCN(C(=O)NCc2cccc(C(N)=O)c2)C[C@H]1C(=O)O 568389488 LHBHYUXJAUMMOP-ZWNOBZJWSA-N 319.361 1.038 0 40 DDAB O=C(NCCN1CCOCC1)c1conc1-c1ccccc1 225872554 NXRNNIBIMAXBLK-UHFFFAOYSA-N 301.346 1.404 0 40 DDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 96404831 PNNADPWZZZGXII-GJZGRUSLSA-N 318.398 1.348 0 40 DDAB CCN(CC)C[C@@H]1CN(C2CCOCC2)Cc2nccn2C1 96066919 JRBSLZRZBLSWMY-HNNXBMFYSA-N 306.454 1.836 0 40 DDAB Cc1ccc(-c2cc(C(=O)NCCn3cnnc3C)[nH]n2)cc1 96445373 QLGJWVHKDUOMIY-UHFFFAOYSA-N 310.361 1.715 0 40 DDAB Nc1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96343790 LVCLQLLSJOWXDY-OLZOCXBDSA-N 309.369 1.690 0 40 DDAB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)CCC(=O)O)COC1 96112526 JLSOQUHVZPVRSQ-NSHDSACASA-N 317.345 1.397 0 40 DDAB biogenic,in-vitro CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1ccccn1)C2 96047427 KHWPHZOZWQKUQI-MRXNPFEDSA-N 323.462 1.862 0 40 DDAB CCOCc1cnc2n1CCN(C(=O)Cc1ccccn1)[C@@H]2C 96109666 LVCQVCFETCWMGT-CYBMUJFWSA-N 314.389 1.961 0 40 DDAB Cc1cnc(N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)nc1 96224826 GRLSRURHOBYJGW-AWEZNQCLSA-N 318.421 1.685 0 40 DDAB CC(C)Nc1nc2c(c(N(C)C)n1)CN(c1ncccn1)CC2 96254039 VRFPAFWXHJMGAR-UHFFFAOYSA-N 313.409 1.716 0 40 DDAB O=C1C[C@]2(CCN(c3nccs3)C2)CN1c1cncnc1 96077526 JGGQBRRQQNNLCV-AWEZNQCLSA-N 301.375 1.567 0 40 DDAB CCN[C@H]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 257336843 YQGMURBOPOWGOX-HNNXBMFYSA-N 303.406 1.845 0 40 DDAB Cc1c(CN2CCN(C)C[C@@H](C(N)=O)C2)[nH]c2ccc(F)cc12 257220613 DLMFQSLCWBNUJG-GFCCVEGCSA-N 318.396 1.464 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2ccc(F)cc2Cl)CC[C@@H]1O 257341888 ZMIAYVSJRZUCGI-GJZGRUSLSA-N 314.788 1.941 0 40 DDAB C[C@]12CCCCN(C(=O)c3ncccn3)[C@H]1CCCC(=O)N2 257282996 OWGKNGRFUCOBKA-LRDDRELGSA-N 302.378 1.530 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257329929 XMBIQADHDTWNFB-BFYDXBDKSA-N 317.364 1.836 0 40 DDAB Nc1cc(CC[C@@H]2CN(C(=O)c3ccon3)CCO2)ccn1 257340783 ZHOBRMCNWQQEGW-GFCCVEGCSA-N 302.334 1.126 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnn(C)c2)C[C@@H]1c1ccccc1 257322453 WGBIOMHSJIMRPM-MRXNPFEDSA-N 312.373 1.466 0 40 DDAB Cn1nccc1-c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 257252568 JVFVPIXJRRFHNN-GFCCVEGCSA-N 320.418 1.306 0 40 DDAB NC(=O)Nc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 261617528 AHHPKYOOKNNYSM-NSHDSACASA-N 319.361 1.894 0 40 DDAB CN1CCN(CCNC(=O)Cc2ccccc2O)CC1(C)C 281905102 ZJZITRDTOPELRU-UHFFFAOYSA-N 305.422 1.077 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccccc1)[C@H]2C 585098758 ZHRQIYGFAIILNJ-LBPRGKRZSA-N 300.362 1.570 0 40 DDAB CN1C(=O)CCC[C@@H]2CN(C(=O)/C=C/c3ccnn3C)CC[C@H]21 585289672 LVFJHFHOZLCZDO-ZNTRNPIHSA-N 316.405 1.293 0 40 DDAB CC[C@H](C)N1CCOC[C@]2(CC(=O)N(Cc3cncs3)C2)C1 585104939 WFQRMCUFAXYRSB-XJKSGUPXSA-N 323.462 1.993 0 40 DDAB COCc1cccc(CNC(=O)N[C@H](C)c2nncn2C)c1 46157579 NWKIYZUYIWKXQB-LLVKDONJSA-N 303.366 1.522 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCCC[C@@H]3C)nc2n1 47144436 BLDUNFGOONHJEH-LBPRGKRZSA-N 316.409 1.345 0 40 DDAB COCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 55929422 RJKFPDQUFDLVLJ-LLVKDONJSA-N 310.781 1.798 0 40 DDAB Cc1nc(-c2cccc(C(=O)N[C@H](C(=O)O)C(C)C)c2)no1 95969595 LOBWIULSXSUNNV-LBPRGKRZSA-N 303.318 1.884 0 40 DDAB CCN(C(=O)c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 4504648 DGQVLKOHXPBONF-SECBINFHSA-N 303.330 1.614 0 40 DDAB COc1ccc(Br)cc1/C=C1/NC(=O)N(C)C1=O 8091558 NMWDSSFWDKTFDA-RMKNXTFCSA-N 311.135 1.980 0 40 DDAB C[C@@]1(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)CCCO1 12197270 ZGHLRBUZOJBXSS-HNNXBMFYSA-N 301.350 1.095 0 40 DDAB O=C(CCn1ccc2ccncc21)N1CCC2(CC1)OCCO2 12671019 JYCGRYPNBSVGFP-UHFFFAOYSA-N 315.373 1.792 0 40 DDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16681669 XWBCZPWRXOQOJK-UHFFFAOYSA-N 306.387 1.596 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1c[nH]nc1-c1cccs1 19575852 DHPFLFPLWJXGMT-IACUBPJLSA-N 318.446 1.778 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CC[C@H](Oc2ccncn2)C1 575604782 BCVGBQCZASCWGG-NSHDSACASA-N 300.318 1.636 0 40 DDAB Cc1cc(OC2CCN(C(=O)Cn3cccn3)CC2)nc(C)n1 390826486 MILXTWPIPGUBGF-UHFFFAOYSA-N 315.377 1.360 0 40 DDAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(CC(N)=O)C1 1889084140 JHWJXDPWVBXMMR-JTQLQIEISA-N 316.327 1.486 0 40 DDAB Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccccc1C(=O)O 37417781 UCICRGLDOMUJID-UHFFFAOYSA-N 314.344 1.244 0 40 DDAB O=C(C1CC1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984118 RCNZHXGZYYLDHO-SFHVURJKSA-N 314.385 1.679 0 40 DDAB CCn1c(=O)c2c(nc3n(CC(C)C)c(C)c(C)n23)n(C)c1=O 10233649 MPRYKGAKNOYQON-UHFFFAOYSA-N 317.393 1.442 0 40 DDAB CC(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 101427047 RQSWIIBJYQKBAX-QGZVFWFLSA-N 310.357 1.559 0 40 DDAB Cc1cc(-c2noc(CNC(=O)c3c(C)noc3C)n2)no1 575615980 IGMOGTJYKNZHTN-UHFFFAOYSA-N 303.278 1.568 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccn(C)c(=O)c1 40496695 RKKBGKUFMIDXAQ-UHFFFAOYSA-N 314.341 1.776 0 40 DDAB CCNc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1 779442 SGZVABHFIJQLJO-UHFFFAOYSA-N 305.342 1.010 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 28909446 NSNRBLUGWWNKRU-CVEARBPZSA-N 322.380 1.182 0 40 DDAB CCSCC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)O 1615669 WYWDUBICVCEBLM-GFCCVEGCSA-N 319.386 1.956 0 40 DDAB OCCN[C@@H](Cc1ccccc1)c1ccccc1OCCO 1666303 XITBODHYUPWWIX-KRWDZBQOSA-N 301.386 1.923 0 40 DDAB O=C(CCN1C(=O)CSc2ccccc21)Nc1cn[nH]c1 40512174 FLZUIIIUDUBHSO-UHFFFAOYSA-N 302.359 1.877 0 40 DDAB CCCCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3511846 DOSFBFXOXQMEPH-UHFFFAOYSA-N 314.363 1.006 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O 51382167 LZWQVPFKAYNHRD-IUODEOHRSA-N 312.316 1.965 0 40 DDAB O=S1(=O)N=C(N(CCO)Cc2ccccc2)c2ccccc21 240375 MUAVDUDIVROKKP-UHFFFAOYSA-N 316.382 1.630 0 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19288539 QLNJDMVLULOOEY-UHFFFAOYSA-N 324.384 1.532 0 40 DDAB CCc1cc(N2CCN(c3ncccn3)CC2)nc(SC)n1 1888857132 SDIDEQMPLFCGKI-UHFFFAOYSA-N 316.434 1.878 0 40 DDAB O=C([C@@H]1CN(Cc2ccccc2Cl)CCO1)N1CCOCC1 1889125045 JJPDAEWGWKXDOP-HNNXBMFYSA-N 324.808 1.400 0 40 DDAB Cc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)nc1 27642780 LBBFHNAGEZZEMG-UHFFFAOYSA-N 319.386 1.609 0 40 DDAB CC(C)=CCn1ccn(-c2ccc3c(c2)OCO3)c(=O)c1=O 2087045629 BGAONIKVAORQSG-UHFFFAOYSA-N 300.314 1.694 0 40 DDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCOCC1 12443991 TVVCYQDNQDGAHA-UHFFFAOYSA-N 305.309 1.492 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccccc2)C1 2055771978 ODNDTWIDMZDGKX-QGZVFWFLSA-N 312.373 1.261 0 40 DDAB CCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055714727 OATMJSAWCQCHKO-LBPRGKRZSA-N 306.410 1.452 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1cccc(Cl)c1C)OC 575612575 NDLYQKOUQWPTCR-CYBMUJFWSA-N 321.826 1.978 0 40 DDAB O=C(O)CCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 13340708 GNGZTFWAEOCHOZ-UHFFFAOYSA-N 321.738 1.181 0 40 DDAB CCOC(=O)CSc1nc(NC#N)nc(N(CC)CC)n1 102276 JFMIWXKVYAYZST-UHFFFAOYSA-N 310.383 1.266 0 40 DDAB aggregator C[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)n1cncn1 40523697 QLQSQPRMKTUTLM-GFCCVEGCSA-N 313.361 1.282 0 40 DDAB CS[C@@H](C)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 40525041 WAVCKVHNNULMQT-ZDUSSCGKSA-N 318.446 1.730 0 40 DDAB CC(C)C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)O 2154077 GFZYVJMATFCSEX-NSHDSACASA-N 308.334 1.714 0 40 DDAB biogenic Cc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c(=O)[nH]1 75118922 FRJADHOAWSOYMY-UHFFFAOYSA-N 300.314 1.684 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1 226269 RIQLMDXNQFFCCH-KGLIPLIRSA-N 321.354 1.152 0 40 DDAB biogenic CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 46034072 GUZRUFOECWSJFC-UHFFFAOYSA-N 322.434 1.173 0 40 DDAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCN2CCOCC2)c1 8493635 QVUVHMDGYWPQFE-MRXNPFEDSA-N 320.433 1.909 0 40 DDAB COCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1 69349290 LAAGKCWABRSBRX-STQMWFEESA-N 322.430 1.477 0 40 DDAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1nnc2ccccn12 8343426 UKYRRTNNBOBMKY-CYBMUJFWSA-N 322.324 1.647 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 27393134 GGSUETHEOOWJLC-HZPDHXFCSA-N 316.401 1.639 0 40 DDAB O=C([C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC1 110592363 IMIQHTVKCZTZBJ-APIJFGDWSA-N 306.406 1.557 0 40 DDAB Cn1ncc2c(NC[C@@H](O)c3ccc(F)cc3F)ncnc21 42099271 LZYUIEDUAKVZGZ-GFCCVEGCSA-N 305.288 1.787 0 40 DDAB COC(=O)/C=C/c1ccc(OCC2(CO)COC2)c(OC)c1 75108822 AXURKUGOWFVZIY-GQCTYLIASA-N 308.330 1.269 0 40 DDAB Cc1noc(CCNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1 104066447 DTHVYGGVJGTKTH-QJRTVWDNSA-N 319.405 1.758 0 40 DDAB O=C(CCn1nc(O)ccc1=O)Nc1ccc(Cl)cc1F 23131830 ZXINIAJYEVCKJF-UHFFFAOYSA-N 311.700 1.770 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccn(COc2ccc(F)cc2)n1 28230472 RKJMQXRHCPQVPD-AWEZNQCLSA-N 319.336 1.968 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 24776840 MACKUWRGLBOOFX-UHFFFAOYSA-N 316.810 1.448 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nccs1 103030934 LRILMDAPFAGEGC-UWVGGRQHSA-N 307.375 1.647 0 40 DDAB COc1ccccc1CCC(=O)N[C@]1(C(=O)O)CCSC1 43509910 GHDREBWZKVOSEM-OAHLLOKOSA-N 309.387 1.704 0 40 DDAB CN1C(=O)c2ccc(NC(=O)COC(=O)C3CCC3)cc2C1=O 25380566 BLKRZDDFURIOFM-UHFFFAOYSA-N 316.313 1.194 0 40 DDAB CCOc1cc(CNC(=O)c2ccc[nH]c2=O)ccc1OC 51319528 JUCYCXSAPVAZHX-UHFFFAOYSA-N 302.330 1.712 0 40 DDAB C[C@H]1CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCO1 25837642 HMGIPWLQVNKYJF-LBPRGKRZSA-N 305.378 1.154 0 40 DDAB Cc1ccoc1C(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1 108528873 BZXFBZZYLXWQNA-UHFFFAOYSA-N 312.391 1.132 0 40 DDAB Nn1c(SCC(=O)NC2CCCC2)nnc1C(F)(F)F 3288193 MYYUQGKAKCAHTG-UHFFFAOYSA-N 309.317 1.162 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)NC[C@@H](C)N1CCOCC1 48162696 QQYBXDMIVBRRGL-HUUCEWRRSA-N 306.406 1.429 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(O)nn1 27410934 CDDWABWLJNRVJN-UHFFFAOYSA-N 315.329 1.616 0 40 DDAB CCOCCO[C@H](C)C(=O)Nc1ccc(NC(=O)NC)cc1 58166220 XAMZPGGYSHHFKY-LLVKDONJSA-N 309.366 1.818 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCO1 44864783 RPAGMASPMHOYAC-CHWSQXEVSA-N 306.362 1.266 0 40 DDAB COc1ccc([C@@H](O)CNCc2c(C)nn(C)c2OC)cc1 58296364 BTAVRAROGYRORH-HNNXBMFYSA-N 305.378 1.569 0 40 DDAB O=C(NCCCOC[C@H]1CCCO1)c1cc(-c2ccco2)[nH]n1 44908429 RRHXHVMRQKISSX-GFCCVEGCSA-N 319.361 1.985 0 40 DDAB C[C@H](NC(=O)NCc1nnc2n1CCCCC2)[C@H]1CCCO1 44966674 PUWNRFJBAGQRSJ-NWDGAFQWSA-N 307.398 1.371 0 40 DDAB CCCn1nc(C(=O)N(C[C@H]2CCOC2)C2CC2)ccc1=O 44941049 PSRHXUGVINOWIF-GFCCVEGCSA-N 305.378 1.294 0 40 DDAB C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)N1CCOCC1 44910729 BZBMXWPYDSRJDB-LLVKDONJSA-N 318.826 1.910 0 40 DDAB COc1ccccc1S(=O)(=O)N(Cc1nccn1C)C1CC1 48355408 RBYNXOBYKIWGRH-UHFFFAOYSA-N 321.402 1.782 0 40 DDAB COC(=O)CNC(=O)Cn1c(CSC)nc2ccccc21 64002781 YGPICQLTIAROET-UHFFFAOYSA-N 307.375 1.189 0 40 DDAB C[C@H]1CCCC[C@H]1OCCNc1ncc(S(N)(=O)=O)s1 69484065 LQQNPZKTALMRFF-VHSXEESVSA-N 319.452 1.798 0 40 DDAB O=C(O)C1(NS(=O)(=O)c2ccccc2F)CCCCC1 13262868 GFVJGJVRSARYKX-UHFFFAOYSA-N 301.339 1.892 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69659173 IXXZJDJMZPIBPX-UONOGXRCSA-N 313.405 1.737 0 40 DDAB O=C1C(Cl)=C(NC[C@H]2CCCO2)C(=O)N1Cc1ccccc1 4467123 UPINMDZITVUWGF-GFCCVEGCSA-N 320.776 1.774 0 40 DDAB C[C@H](C(=O)N1CCCN(c2nccs2)CC1)n1cccn1 65499517 QCDOMZNJZOWGAV-GFCCVEGCSA-N 305.407 1.640 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](n2ccnc2C)C1 69743744 IPNUBZBQOJTWPP-OAHLLOKOSA-N 315.421 1.948 0 40 DDAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCCO)c(C)c12 5345733 FBEAPPMQVPVBBJ-UHFFFAOYSA-N 319.357 1.460 0 40 DDAB CCCNC(=O)CN1CCN(C(=O)Nc2cccc(C)c2)CC1 14139178 MJUJDKXPCYSUKO-UHFFFAOYSA-N 318.421 1.671 0 40 DDAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1CCC(=O)N1 4689142 UFXKTFFJFSQFCM-GUYCJALGSA-N 323.437 1.341 0 40 DDAB O=S1(=O)CCCN(CCCOc2ccc(F)cc2)CC1 69814733 AUKVVIAXMXWIBF-UHFFFAOYSA-N 301.383 1.715 0 40 DDAB CC1=NN(C(=O)[C@@H](C)n2cc(C)cn2)[C@@](O)(C(F)(F)F)C1 6790150 WPQHLLQKJOIRNI-KOLCDFICSA-N 304.272 1.612 0 40 DDAB CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CCN1CCOC 69972567 BPUNOXKRXDWLAQ-UONOGXRCSA-N 324.425 1.353 0 40 DDAB O=C(CCNCc1ncc[nH]1)N1CCN(c2ccccc2)CC1 67696057 SHIBLDKHFMEKDK-UHFFFAOYSA-N 313.405 1.238 0 40 DDAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccncc1 8037524 ZCJCOPASXPFZLL-UHFFFAOYSA-N 303.387 1.922 0 40 DDAB O=C(Cn1cnc2cc3c(cc21)OCCO3)NC[C@@H]1CCCO1 64794754 MOKPYPCCTCTUNK-NSHDSACASA-N 317.345 1.103 0 40 DDAB CN1C(=O)COc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc21 71285466 ZEYDBAFKDFMGGB-OLZOCXBDSA-N 318.329 1.337 0 40 DDAB COc1ccc(OC)c(-n2nnnc2SCC2OCCO2)c1 71916392 DSQQAMHUVPZRHD-UHFFFAOYSA-N 324.362 1.145 0 40 DDAB C[C@@H]1CCO[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O 96005870 ANRGYWCPWYROOB-RDDDGLTNSA-N 315.167 1.511 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1 9366682 LSGSAMSWDXYWRN-ZCFIWIBFSA-N 308.342 1.294 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)C[C@H](O)c2ccc(F)cc2)CC1 71871589 REARDKSSSHKOOP-KDOFPFPSSA-N 324.440 1.884 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C[C@H](O)COCc2ccco2)c1 71876992 SZICDBJGQPEMOR-CVEARBPZSA-N 319.405 1.827 0 40 DDAB C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)[S@](C)=O 89901208 UPIOXGLQCNSKRR-RKFFSXRUSA-N 318.398 1.539 0 40 DDAB Cc1noc(Cl)c1CCC(=O)N[C@@H]1CCc2nccn2C1 72278715 BNCZFRYICMTNIO-SNVBAGLBSA-N 308.769 1.897 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 72269061 MGBRHVWXXDVHRZ-IRXDYDNUSA-N 302.418 1.595 0 40 DDAB CNc1cc(N2CCC[C@H]2CNCc2c(C)noc2C)ncn1 72276607 ZKKVXAHOQLNYGN-ZDUSSCGKSA-N 316.409 1.882 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)[C@H](O)c1ccccc1 97079851 CHCJCERUSVZLNN-CQSZACIVSA-N 300.362 1.235 0 40 DDAB Cc1cc(C)c(C(=O)OCc2ccc(-n3ccnc3)nc2)c(=O)[nH]1 97113070 ABKHSTBBGSLYKB-UHFFFAOYSA-N 324.340 1.929 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)c1ccnc(N(C)C)c1)CC2 97198509 NEUZOCMVBMVEKF-GFCCVEGCSA-N 314.393 1.046 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@H]1CCC[C@@H]1O 84344354 XUBRHAXXBYATOV-MFKMUULPSA-N 314.332 1.804 0 40 DDAB Cc1nc2n(c1C)CCN(C[C@@H](O)COCc1cccs1)C2 97201153 WEYGHLGSLBFJIN-CQSZACIVSA-N 321.446 1.955 0 40 DDAB CNC(=O)c1ccc(CN(C)C(=O)c2ccncc2F)cc1 78074671 VEQMDCGXUMNVFF-UHFFFAOYSA-N 301.321 1.853 0 40 DDAB CN(C)S(=O)(=O)N(C)Cc1nc(C(F)(F)F)cs1 72720744 JICSPECIQXQTEU-UHFFFAOYSA-N 303.331 1.400 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)C3=COCCC3)CCO2)n1 78889688 JYSGFOSGOBSQJC-LBPRGKRZSA-N 306.366 1.351 0 40 DDAB CCN1CCN(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1 95413646 LDYOAEPMYZSSCH-NVXWUHKLSA-N 319.449 1.888 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCNc2ncccn2)c1 26711754 BOTHMVUIXCDWMQ-UHFFFAOYSA-N 306.391 1.484 0 40 DDAB O=C(OC1CCN(c2ccncn2)CC1)c1ccn2cncc2c1 95463451 GBXOTDSDAHHAIR-UHFFFAOYSA-N 323.356 1.950 0 40 DDAB CCCc1nn(Cc2csc(-c3cnn(C)c3)n2)c(=O)o1 84759079 QASKMEXXFRHEHH-UHFFFAOYSA-N 305.363 1.694 0 40 DDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc[nH]c1=O 22900755 WABQLEIZDKHSPH-UHFFFAOYSA-N 315.329 1.003 0 40 DDAB COCCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C 408606163 NWZYCLTVAKQKHO-UHFFFAOYSA-N 314.407 1.058 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCNCC1 38478371 VFGHUGDKTSBANT-QWHCGFSZSA-N 309.207 1.984 0 40 DDAB CO[C@@H](C)CNC(=O)N1CCC(CN)(c2ccccc2)CC1 1553517404 KQOSCRPAMYZBEI-AWEZNQCLSA-N 305.422 1.723 0 40 DDAB CN(C)CCNC(=O)[C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1 306123209 AHIDTWVKAPMLFY-LLVKDONJSA-N 318.446 1.921 0 40 DDAB COc1cccc([C@]2(Cc3ccc(F)cc3)NC(N)=NC2=O)c1 71975294 OOGVAPGNFXVZBH-KRWDZBQOSA-N 313.332 1.717 0 40 DDAB O=C(O)c1ccc(N2CC[C@@H](n3ncc4ccccc43)C2)nn1 517033600 WMHWPPMXNXTPOL-GFCCVEGCSA-N 309.329 1.976 0 40 DDAB O=S(=O)(Nc1cccc(-n2cccn2)c1)[C@H]1CCCC[C@H]1O 75604216 KJFDWZUTSBMGJO-CABCVRRESA-N 321.402 1.918 0 40 DDAB CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1ccco1)C2 188687411 LVZAPQHSHDIISU-UHFFFAOYSA-N 309.391 1.884 0 40 DDAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O 77938674 AWTWYUZPLQZMEG-BXUZGUMPSA-N 308.353 1.740 0 40 DDAB Cc1noc([C@H]2COCCN2Cc2cnn(CC(C)C)c2)n1 188481439 IGNMCKIIFVRUDL-CQSZACIVSA-N 305.382 1.804 0 40 DDAB Cc1cc(N2CCN(C=O)CC2)ncc1[C@@H](N)c1ccccc1 72223690 FZRVPGTWQWZRMC-SFHVURJKSA-N 310.401 1.717 0 40 DDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)C(N)=O 79334782 IAQPXJBVPAZBGZ-LLVKDONJSA-N 311.426 1.089 0 40 DDAB COc1cccc(-c2c3c(=O)[nH]ccc3nc3nc(C)nn23)c1 40398471 FROCAINZDHFFTD-UHFFFAOYSA-N 307.313 1.950 0 40 DDAB COC[C@H]1CCCN(CC(=O)NCc2ccccc2OC)C1 79091151 KJBBSSIQAWHNGK-AWEZNQCLSA-N 306.406 1.670 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 79409896 IYJLJQXADNBWRC-AAEUAGOBSA-N 311.426 1.724 0 40 DDAB CCOC(=O)Cc1nc(COc2ccc(C(C)=O)cc2)n[nH]1 40175856 DNZFLMZUVWPQGD-UHFFFAOYSA-N 303.318 1.692 0 40 DDAB NC[C@@H]1CCN(c2ccc(OC3CCCC3)cc2)S1(=O)=O 222545905 BLEACDIEZNNUFC-HNNXBMFYSA-N 310.419 1.875 0 40 DDAB O=C(Cc1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 85436762 YKSFFVFQDPUEBV-AWEZNQCLSA-N 320.414 1.761 0 40 DDAB O=C(NCCCOC1CCCC1)c1cnc2n(c1=O)CCS2 61524474 QDHDJDOGSAVHAC-UHFFFAOYSA-N 323.418 1.428 0 40 DDAB Cc1cc(CNC(=O)c2cn(-c3ccc(F)cc3)cn2)n(C)n1 226848962 KYQFBGWLKOEEOB-UHFFFAOYSA-N 313.336 1.983 0 40 DDAB c1cc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)ccn1 96054348 MDUDVXMBYWJNLD-BBWFWOEESA-N 303.406 1.146 0 40 DDAB CN(C)C[C@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 96296036 KEOPVAKHDRIBQU-JLJPHGGASA-N 317.389 1.749 0 40 DDAB biogenic,in-vitro CC(C)OCCS(=O)(=O)N1CCN(C)c2ccccc2C1 96451037 HAYAQEILEDEGLJ-UHFFFAOYSA-N 312.435 1.693 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2CC2CCOCC2)N1Cc1ccncc1 96055695 JNFGCMHBUGCWCO-DLBZAZTESA-N 315.417 1.683 0 40 DDAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cnn2ccccc12 531745867 SFVUWIXJGNZPHD-GFCCVEGCSA-N 317.345 1.430 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)c1coc(Br)c1 96502347 ADAHXPZBRWGAOY-VIFPVBQESA-N 318.167 1.920 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]21 96043461 VJCYUFKSYWAOKO-BZUAXINKSA-N 306.381 1.799 0 40 DDAB Cc1cnc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)s1 257267679 MIHZEAGUBCHFPP-CQSZACIVSA-N 323.462 1.880 0 40 DDAB COC(=O)c1cc(OC)ccc1NC(=O)Cc1cncnc1 252490359 KQXQEAMKNJZGSD-UHFFFAOYSA-N 301.302 1.453 0 40 DDAB CN(Cc1cncn1C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257276677 NUROGLAQYTVUDX-IKGGRYGDSA-N 301.390 1.823 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1CC[C@@]2(CCCO2)[C@@H](O)C1 257327039 WZPVMHLCXJCMFI-YJBOKZPZSA-N 318.417 1.858 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(C)cc1 257237267 HFURLTBTCOMXJK-GOSISDBHSA-N 324.384 1.663 0 40 DDAB Cc1nonc1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257224455 FBXGTCOKMAWHMT-ZDUSSCGKSA-N 317.349 1.269 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257231018 GEVQBELZLRDGMA-GJZGRUSLSA-N 311.403 1.132 0 40 DDAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C[C@H](C)OC 278643559 OBLKCWZACQGGQG-JTQLQIEISA-N 313.375 1.200 0 40 DDAB CS(=O)(=O)c1ccc(N2CCOCC2)c(Br)c1 642887068 JCVSCPVDXVCTBM-UHFFFAOYSA-N 320.208 1.689 0 40 DDAB O=C(C1CCNCC1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 585269551 YPOUHNMVNBPWSO-NVXWUHKLSA-N 320.408 1.577 0 40 DDAB CCCN(CC(F)(F)F)C(=O)c1ccc(S(N)(=O)=O)o1 49519939 PSYGYJNAZIXCBH-UHFFFAOYSA-N 314.285 1.342 0 40 DDAB Cc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1OCC(F)F 65609663 WZLHRRQQAYOOTE-MRVPVSSYSA-N 301.293 1.634 0 40 DDAB CC(C)[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC(N)=O 5400298 BCKAGPIJTHSAAC-CQSZACIVSA-N 317.345 1.473 0 40 DDAB CCCN1CC2=C(C1=O)[C@H](c1ccc(O)c(OC)c1)NC(=O)N2 12154311 LGBRBARMKVWDFN-AWEZNQCLSA-N 317.345 1.261 0 40 DDAB Nc1nc(N)c(C=O)c(Nc2ccc(Br)cc2)n1 13217003 NIDHVFUNUACGKH-UHFFFAOYSA-N 308.139 1.960 0 40 DDAB O=C(C1CC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 19344965 UZJKQJYOAXKWQY-NSHDSACASA-N 303.391 1.803 0 40 DDAB CCn1ccc(C(=O)N2CC[C@H](C(=O)N3CCCCC3)C2)n1 19747861 GEPYHABXTFEOLP-ZDUSSCGKSA-N 304.394 1.378 0 40 DDAB COCCNC(=O)NCC1CCN(C2CCSCC2)CC1 244975106 IBWRBXCGYUJPNQ-UHFFFAOYSA-N 315.483 1.540 0 40 DDAB CC[C@@H](OC[C@H](O)CN1CCN(CCO)CC1)c1ccccc1 22465831 WONTZVDBJAIKFS-QZTJIDSGSA-N 322.449 1.125 0 40 DDAB COc1cc(OC)nc(N2CC[C@@H](Oc3ccncc3C)C2)n1 1889114259 PJMPVBZAPKHMGB-GFCCVEGCSA-N 316.361 1.855 0 40 DDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COC 25171642 UQINFPZAYVAUOB-UHFFFAOYSA-N 309.753 1.571 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCC1(c2ccccc2)CC1 28616512 JUBPVUCIEGXMAG-UHFFFAOYSA-N 300.358 1.374 0 40 DDAB O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(O)nn1 29849707 ZQCMEXTVRGZKHM-DTWKUNHWSA-N 319.283 1.802 0 40 DDAB CC1(C)NC(=O)N(CCSC(=S)N2CCCC2)C1=O 31443434 HILCLUVSCKZHPT-UHFFFAOYSA-N 301.437 1.431 0 40 DDAB CCc1nnsc1C(=O)Nc1cccc(-c2nnnn2C)c1 32883013 JOPGPWKAULSZQL-UHFFFAOYSA-N 315.362 1.543 0 40 DDAB N[C@@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1 252504226 VINAKOLLBDXUOF-SFYZADRCSA-N 314.354 1.791 0 40 DDAB CN1CCCC[C@@]2(CN(C(=O)CCC3CCC3)CCO2)C1=O 2037984419 ALKKGZKMDWQXIH-QGZVFWFLSA-N 308.422 1.807 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1c(C)cccc1F)C2 1073487415 AUKDAJQGOICVBW-UHFFFAOYSA-N 306.381 1.928 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)c3csc(C)n3)CC[C@@H]2C1 1565551696 UZWRJHDKKCGMHY-TZMCWYRMSA-N 309.435 1.634 0 40 DDAB CCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7458458 ZPRTXNLDFHRXGK-UHFFFAOYSA-N 319.336 1.910 0 40 DDAB C/C=C/C(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 10251918 VWVAHUQTFVDNSL-SNAWJCMRSA-N 323.356 1.845 0 40 DDAB Cc1nnc(NC(=O)C[C@H]2CSc3nccc(=O)n32)s1 14031314 KBMXRSUWAMDOKO-ZETCQYMHSA-N 309.376 1.079 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccc(C)cc2)C1 2055772906 URZBMJUYXQBTMY-SFHVURJKSA-N 312.417 1.929 0 40 DDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)C2CC2)C1 2055751275 DHCILWHLGPASML-SFHVURJKSA-N 315.417 1.958 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)NC3CCCC3)ncn2C1 2055714460 AHBSVVHKXWZJRM-LBPRGKRZSA-N 318.421 1.643 0 40 DDAB O=C(C1CC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772997 HUFGMJQYOJHDRR-UHFFFAOYSA-N 316.405 1.137 0 40 DDAB C=CC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 585291547 RRBUKCVZQZSYIJ-UHFFFAOYSA-N 309.373 2.507 0 40 DDAB CN(C)c1ccnc(N2CCC[C@H](COc3cnccn3)C2)n1 2298183979 VMKVOYKDACOSAN-ZDUSSCGKSA-N 314.393 1.628 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 489874 DOEYEWKFJDCWRZ-ZXFNITATSA-N 313.353 1.184 0 40 DDAB biogenic Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)OCO3)C2 30391168 RYHILIPGQGAPPU-ZDUSSCGKSA-N 311.341 1.801 0 40 DDAB Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 294949 KHMSSUQQKBQPES-UHFFFAOYSA-N 309.416 1.451 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)cc1 352277 XCZFTKUACZLDMX-KGLIPLIRSA-N 306.362 1.545 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)Nc1cc(OC)cc(OC)c1 40477735 CZDLAVFUZAHBKR-JTQLQIEISA-N 309.366 1.740 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccccc1F 569505 DBHHBMWIADHIHT-UHFFFAOYSA-N 308.342 1.349 0 40 DDAB Cc1cnn(CC2CN(S(=O)(=O)c3ccc(F)c(C)c3)C2)c1 1848708876 WEBDQONQXDATEQ-UHFFFAOYSA-N 323.393 1.960 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CCN1CCNC(=O)C1 28852313 IUXKYPCVRWHZRO-UHFFFAOYSA-N 311.769 1.109 0 40 DDAB O=C1COc2cc(NC(=O)c3cnccn3)c(Cl)cc2N1 36752382 NTONZXFSMKSNNZ-UHFFFAOYSA-N 304.693 1.713 0 40 DDAB CCn1ccc(CNC(=O)c2nn3cccnc3c2Cl)n1 2793986 MHANLMRTJFXLGW-UHFFFAOYSA-N 304.741 1.529 0 40 DDAB CCc1cccc2c(C(=O)N(CC)[C@H]3CC(=O)NC3=O)c[nH]c12 101099958 NYVYTPWLKLMRLX-ZDUSSCGKSA-N 313.357 1.608 0 40 DDAB COc1cc(CNCCO)ccc1OCC(=O)NC(C)(C)C 6882437 OMFOODBDJWUXIE-UHFFFAOYSA-N 310.394 1.071 0 40 DDAB CCN(CC(=O)NC(C)C)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 7682212 BZEODZKMXWZYEO-KKUMJFAQSA-N 311.470 1.774 0 40 DDAB OCCc1cn(C[C@H]2CCCN(C3CCSCC3)C2)nn1 20997192 DZHBPXUUJRCGKP-ZDUSSCGKSA-N 310.467 1.421 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)N1CCOCC1)C2 102398962 YOFDNFDQPPRORU-SCRDCRAPSA-N 302.440 1.368 0 40 DDAB COC(=O)c1ccc(C)c(NCC(=O)NC(=O)NC(C)(C)C)c1 9944337 LSGCKYRPBLIJQD-UHFFFAOYSA-N 321.377 1.818 0 40 DDAB O=S(=O)(C1CC1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 107207494 FXSDJTKNHYFXJX-ILXRZTDVSA-N 324.402 1.184 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 8132421 HZGSZZVVDNCBFT-UHFFFAOYSA-N 300.314 1.097 0 40 DDAB Cc1ccc(OCCNC(=O)C(=O)NCc2ccccc2)cc1 3094729 VHSROLZGTJFRFM-UHFFFAOYSA-N 312.369 1.806 0 40 DDAB O=C(CCOc1cccc(Cl)c1)NCC(=O)N1CCCC1 41793975 VQJSPFOQUIQRJU-UHFFFAOYSA-N 310.781 1.848 0 40 DDAB COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1cncn1C)C2 108525016 VRUSZLGBSSXDCS-NVXWUHKLSA-N 320.437 1.175 0 40 DDAB CCn1cc(C(=O)NCCCN(C)C)c(=O)c2ccc(C)nc21 12321211 RTRHXVSANCCKPV-UHFFFAOYSA-N 316.405 1.406 0 40 DDAB CC(=O)N1CC[C@]2(C(=O)Nc3ccc4c(c3)OCCO4)C[C@H]2C1 101427168 JFBJWRWPZAHCCK-SJCJKPOMSA-N 316.357 1.655 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 22755282 TXAZYMXTXZYLAD-OAHLLOKOSA-N 306.362 1.110 0 40 DDAB O=C1CN(C(=O)COC(c2ccccc2)c2ccccc2)CCN1 23419950 RRJRRTKDRMHGMV-UHFFFAOYSA-N 324.380 1.751 0 40 DDAB C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(C)(C)C 23628765 BBIGPPKVYYRQLL-SNVBAGLBSA-N 313.423 1.773 0 40 DDAB O=C(c1ccccc1)N1CCN(C[C@@H](O)c2ccco2)CC1 27197502 HVMMZQQOKHNNIV-OAHLLOKOSA-N 300.358 1.771 0 40 DDAB Cc1cc(CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3=O)no1 25138344 UVADLELJSBLPMX-UHFFFAOYSA-N 315.329 1.463 0 40 DDAB CNC(=O)CN1CCC(NC(=O)CCc2ccc(F)cc2)CC1 25230710 CHVDETDONOIVGP-UHFFFAOYSA-N 321.396 1.085 0 40 DDAB NC(=O)CCN1CCN(CCOc2ccccc2Cl)CC1 25305338 MBGZBLJFTBYNFF-UHFFFAOYSA-N 311.813 1.212 0 40 DDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cn1 3216345 UXZSACMJVNFYEZ-UHFFFAOYSA-N 307.256 1.859 0 40 DDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 35221407 VNTOVZYXEOOLHQ-QWHCGFSZSA-N 318.439 1.381 0 40 DDAB COCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 57363118 RMDJCOJLJXYLJD-ZDUSSCGKSA-N 309.385 1.099 0 40 DDAB C[C@H]1CCC[C@H](NS(=O)(=O)CCn2nnc3ccccc32)C1 26875754 CEASJCCIFXXCEC-STQMWFEESA-N 322.434 1.929 0 40 DDAB Cc1csc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)n1 44450478 CXKICYRECPDHLA-VIFPVBQESA-N 315.358 1.756 0 40 DDAB Cc1occc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 44911408 FVFMFFKLUQVDEF-UKRRQHHQSA-N 308.378 1.055 0 40 DDAB COCc1cccc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 58369263 KEAIGNZGJPHEIF-LBPRGKRZSA-N 316.357 1.861 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 45074962 MWTLMLQVBGDVGW-HOTGVXAUSA-N 320.364 1.737 0 40 DDAB CCn1ccc(=O)nc1SCc1csc(NC(C)=O)n1 58406956 TUJMNINTGFRIRL-UHFFFAOYSA-N 310.404 1.970 0 40 DDAB COc1ccccc1N1CCN(c2cc(C)nc3ncnn23)CC1 2340773 DBLJGYLWPVRPPX-UHFFFAOYSA-N 324.388 1.768 0 40 DDAB Cc1cnn(-c2ccc(C(=O)NCCNc3cnccn3)cc2)c1 48342746 DTLAMJDKGZETRX-UHFFFAOYSA-N 322.372 1.813 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1 3517538 BFHZYLCGXAQGHN-UHFFFAOYSA-N 308.403 1.238 0 40 DDAB CC(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)s1 13004622 GTFPAJOSGAEFRF-UHFFFAOYSA-N 314.370 1.966 0 40 DDAB CC(=O)Nc1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1 69418404 CFZVDLJHSIHJKO-ZDUSSCGKSA-N 321.406 1.199 0 40 DDAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1nccs1 13683964 SBOGLUVQUKTFHY-UHFFFAOYSA-N 303.343 1.816 0 40 DDAB Nc1cccc(NC(=O)[C@@H](CC(=O)O)NCc2ccccc2)c1 5142546 KDVHXGSYQBGBLV-OAHLLOKOSA-N 313.357 1.840 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccc(OCC(F)(F)F)nc1 23176744 CEOCVDSQBJOBPG-UHFFFAOYSA-N 320.267 1.704 0 40 DDAB Cc1cc(C)n(CC(=O)OCC(=O)N2CCc3ccccc32)n1 17732371 OLCWLVMUXSLEDE-UHFFFAOYSA-N 313.357 1.632 0 40 DDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@@H]2C[C@@H](C)OC2=O)C1=O 14070542 DGOYYDYUERXRRL-VYROHLMNSA-N 320.320 1.687 0 40 DDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(=O)OC)cc1 65518708 OMOZDLOPUPNEBJ-LBPRGKRZSA-N 322.386 1.723 0 40 DDAB CCCCNC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14399217 XMEHNFYHLSCEEJ-GFCCVEGCSA-N 303.362 1.760 0 40 DDAB CN(C(=O)CN1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 23693360 LWVPETQQZGDQCF-AWEZNQCLSA-N 322.430 1.085 0 40 DDAB Cc1ccc2nc(COC(=O)c3c(C)noc3N)cc(=O)n2c1 14644019 BQOWLGLTWWULCQ-UHFFFAOYSA-N 314.301 1.239 0 40 DDAB O=C(CN1CC[C@H](c2ccccc2F)C1)NC[C@@H]1CCCO1 69844950 VGGKFZXHDQSYJS-KBPBESRZSA-N 306.381 1.910 0 40 DDAB Cc1ccc(F)c(-n2nnnc2CN2CC(n3cccn3)C2)c1 69876523 WFVCEDOQFAIBRP-UHFFFAOYSA-N 313.340 1.363 0 40 DDAB C[C@H](NCc1cccc(OCC(N)=O)c1)[C@@H](C)n1cccn1 69969843 PPOAZKUPBPNXTK-QWHCGFSZSA-N 302.378 1.487 0 40 DDAB Cc1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1N 7062207 YEORICYAEYHTNY-CYBMUJFWSA-N 317.418 1.756 0 40 DDAB O=C(NCCc1cccc(O)c1)N1CC[C@@H](N2CCCC2)C1 89780624 JJLVJMAHIGVXGM-OAHLLOKOSA-N 303.406 1.814 0 40 DDAB CN(CC[C@@H]1CCCN1C)C[C@H](O)COCc1ccccc1 83877895 UPNUVZDCVWTFNC-ROUUACIJSA-N 306.450 1.980 0 40 DDAB OCCC1(NCc2cc3ccccc3nc2O)CCOCC1 89873042 FIQCVLWKZFTTKB-UHFFFAOYSA-N 302.374 1.962 0 40 DDAB Cc1c(CNC(=O)Nc2c[nH]nc2-c2ccccn2)cnn1C 93330707 PZDKVZZYFRVRLM-UHFFFAOYSA-N 311.349 1.835 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 9365369 PIZUDYRDCPNSEY-SNVBAGLBSA-N 322.308 1.344 0 40 DDAB C[C@H]1CCN(c2ccc(NC(=O)NCC(=O)NC3CC3)cc2)C1 71880079 UKSNYBAXOBBPHO-LBPRGKRZSA-N 316.405 1.933 0 40 DDAB C[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H](c2ccccc2)O1 71827227 UADNJDHZMWLJRE-WFASDCNBSA-N 315.373 1.583 0 40 DDAB Cc1nc(CN2CCC[C@@H](NCc3c(C)noc3C)C2)no1 71870559 MMJLJOBUXLOVTN-CYBMUJFWSA-N 305.382 1.737 0 40 DDAB Nc1nccnc1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 97046187 QJJCOIQPFJKPHI-AWEZNQCLSA-N 312.373 1.472 0 40 DDAB Cn1ncc(N2CCC[C@@H](C3(C)OCCO3)C2)c(Cl)c1=O 97086191 JVRKLXRCKGZTCM-SNVBAGLBSA-N 313.785 1.413 0 40 DDAB Cc1nnc(CN(C)C[C@H](c2cccs2)N2CCOCC2)o1 75603690 DBLOLMYGOLFOCN-CYBMUJFWSA-N 322.434 1.945 0 40 DDAB FC(F)(F)c1cc([C@H]2CCCN(CCn3cncn3)C2)n[nH]1 76059583 QUDKZIWICLJAAB-JTQLQIEISA-N 314.315 1.900 0 40 DDAB C[C@H]1CN(S(=O)(=O)N(CC2CC2)CC2CC2)[C@H](C)CO1 76062189 JKNUXNFVCILBAE-NEPJUHHUSA-N 302.440 1.462 0 40 DDAB C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)C[C@@H]1N(C)C 76051101 NAQLPLVWDKHJIC-BMIGLBTASA-N 317.364 1.689 0 40 DDAB Cn1ncnc1CNc1ccc(CCN2CCOC2=O)cc1 97227518 XYDVIDSEPUTJBH-UHFFFAOYSA-N 301.350 1.422 0 40 DDAB C[C@H](CNC(=O)COCC1CC1)CNC(=O)OC(C)(C)C 84638329 CMHFCJYBRUVZPO-LLVKDONJSA-N 300.399 1.690 0 40 DDAB CNC(=O)c1cccc(NCCNC(=O)c2cccc(C)c2)n1 95403093 SRXKIXOGUHWYSV-UHFFFAOYSA-N 312.373 1.592 0 40 DDAB O=S1(=O)C[C@H](O)[C@@H](N2CCCC3(CCCCCC3)C2)C1 95404899 QDIYIPLGOZMUCA-KBPBESRZSA-N 301.452 1.581 0 40 DDAB C1CO[C@H](CN(Cc2nnnn2C2CC2)[C@H]2CCSC2)C1 110569834 QAGJHDJXCJMMNR-STQMWFEESA-N 309.439 1.495 0 40 DDAB CC[C@@](C)(CC(=O)O)NC(=O)[C@H](C)Cc1c(C)nn(C)c1C 95424871 BOIMZQNIKGLEAV-HWPZZCPQSA-N 309.410 1.975 0 40 DDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3nnc(C)o3)C2)cn1 78891349 GOPDHIIVAGLXPP-CQSZACIVSA-N 302.382 1.183 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 95949068 QOZRVYBNLOTHPX-NSHDSACASA-N 300.380 1.075 0 40 DDAB CCc1nc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)no1 89290009 NJPUUARSFYFGTD-INIZCTEOSA-N 312.329 1.526 0 40 DDAB CN(C(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 89335137 XAAYFRZSKWOZIE-DZGCQCFKSA-N 322.430 1.893 0 40 DDAB Cc1nnc(S[C@@H](C)c2ncc(C(C)(C)C)o2)n(N)c1=O 89499452 WNAQUMLMDOQAJB-QMMMGPOBSA-N 309.395 1.799 0 40 DDAB Cc1ccccc1-c1cnc(NC(=O)Cn2cnnn2)s1 75093552 QTFLIODCNMGOSE-UHFFFAOYSA-N 300.347 1.744 0 40 DDAB CNCC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 63166087 MTXNTLMAIJQMFN-UHFFFAOYSA-N 306.435 1.496 0 40 DDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@@H]2c2ccccc2)cc1 409054952 OSIVNDFHYFCOIS-CABCVRRESA-N 311.341 1.169 0 40 DDAB CN(C)CCNC(=O)c1nc([C@H]2CCCN2C)n2ccccc12 306132844 LUBWZJZQOQQEJU-CQSZACIVSA-N 315.421 1.392 0 40 DDAB O=C(C1CC1)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1 72341957 OKVISYHNMQXADN-AWEZNQCLSA-N 313.361 1.003 0 40 DDAB CCn1nc(C)cc1NC(=O)CNC(=O)c1ccc(OC)cc1 530126439 SBCWFWWQUBOJPL-UHFFFAOYSA-N 316.361 1.589 0 40 DDAB COC(=O)CCNC(=O)CCc1nc(-c2ccccc2)no1 32989366 NBWSNILBOWZEPW-UHFFFAOYSA-N 303.318 1.349 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)OCC(O)=N2 71286306 HTLGGZBODHPFSC-RYUDHWBXSA-N 304.302 1.962 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N(C)CCCOc1ccc(F)cc1 30267557 JTNLPELADVYDPU-NSHDSACASA-N 311.357 1.371 0 40 DDAB Cn1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cn1 31037481 NGOPYGPARSAMMF-UHFFFAOYSA-N 302.334 1.048 0 40 DDAB CN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@H](CN)C1CC1 564953548 FTVRFRAAFHPMDY-LLVKDONJSA-N 304.316 1.645 0 40 DDAB CN(C)c1cccc(CCC(=O)NCc2cccc(CO)n2)c1 561950783 JKGLTJSSZHHPHV-UHFFFAOYSA-N 313.401 1.889 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 40386729 GOBHOELUQSVQJO-VIFPVBQESA-N 319.752 1.837 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccccn3)C2)n1 225402187 PERAVPIAJCXWQP-LBPRGKRZSA-N 313.361 1.231 0 40 DDAB O=C(NCc1nc(C2CC2)n[nH]1)Nc1nc2c(s1)CCC2 571991855 LBTJYTHUIMXAFS-UHFFFAOYSA-N 304.379 1.949 0 40 DDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2CC2CC2)O1 96057565 RGENXUSWGUVISG-BZUAXINKSA-N 304.390 1.928 0 40 DDAB CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O 96296108 BVJSEOCMEKRDKK-KFWWJZLASA-N 306.406 1.180 0 40 DDAB biogenic,in-vitro C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)N(C)C)CC2 96062258 XQTKKPHRQPDYER-GFCCVEGCSA-N 309.410 1.160 0 40 DDAB CN(C)C(=O)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 96110384 AMWUMGYZTHXMIV-ZBFHGGJFSA-N 305.378 1.623 0 40 DDAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(CCO)C2)C1 96225227 OPYZXVGJRGIYST-INIZCTEOSA-N 303.362 1.228 0 40 DDAB COc1ccc(NC(=O)CCn2cnc(C)c(C)c2=O)cc1 97238479 HNWVZSLKFQKDKC-UHFFFAOYSA-N 301.346 1.898 0 40 DDAB CSC[C@@](C)(O)CN[C@H](C)Cn1cc(Br)cn1 96478074 UYEDUWLAKRVDTF-KOLCDFICSA-N 322.272 1.738 0 40 DDAB COCC(=O)N1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 96046075 GXOMACBNBQNVFB-QJPTWQEYSA-N 307.350 1.272 0 40 DDAB C[C@H](NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccncc1 95454004 XKPIWQSESBZMKA-USXIJHARSA-N 305.422 1.470 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1 247744162 QDEKDVBQWZTJEH-DDHJSBNISA-N 302.374 1.196 0 40 DDAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](n2nccn2)C1 253473857 ZESGXVIKIFZPFQ-HNNXBMFYSA-N 308.345 1.551 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)Cc2ccc3c(c2)CCCC3)CCO1 257283800 OZWZRVSQFPFZSU-GOSISDBHSA-N 316.401 1.211 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 257233822 GQWOJIVXABUHJX-OWCLPIDISA-N 323.400 1.859 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccncc2)c1 257304293 SKXIWPLHGRDSRG-QGZVFWFLSA-N 310.401 1.588 0 40 DDAB COCCN1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1 257226776 FMCGDLSPQJSHRI-CYBMUJFWSA-N 301.394 1.703 0 40 DDAB O=C1NC(=O)/C(=C/N2N=C(c3ccccc3)C[C@H]2C(=O)O)S1 256028150 WGULXPALORKROP-QBQSQJOESA-N 317.326 1.374 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)CCn2ccnc2)n1 257305815 SRRBIVJNIKAZKM-CYBMUJFWSA-N 300.366 1.469 0 40 DDAB O[C@H](CN1CCN(Cc2cccnc2)CC1)c1cccs1 85436952 ZPAKXWUIZUOWSR-OAHLLOKOSA-N 303.431 1.994 0 40 DDAB CN(C)S(=O)(=O)N1CC(c2nc(-c3ccsc3)no2)C1 90567320 OMZZMLLDVPKWGC-UHFFFAOYSA-N 314.392 1.004 0 40 DDAB O=C(O)C[C@@H]1CN(c2ncnc3[nH]c4ccccc4c23)CCO1 566800356 XWEGCZDYAZUMMD-SNVBAGLBSA-N 312.329 1.791 0 40 DDAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(CCF)CC1 390831581 SQQIGSLLRPAZRD-UHFFFAOYSA-N 316.380 1.814 0 40 DDAB CS(=O)(=O)c1cc(Br)ccc1N1CCOCC1 642887082 KWPFMFKEFCSZQU-UHFFFAOYSA-N 320.208 1.689 0 40 DDAB C[C@H]1COCCN1C(=O)Nc1nnc(-c2ccccn2)s1 47790998 YMUJFTSQWNUREX-VIFPVBQESA-N 305.363 1.853 0 40 DDAB Cc1c(C(=O)O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 47844246 ZJLZPWSCQSEPDE-UHFFFAOYSA-N 310.354 1.857 0 40 DDAB in-vitro CN(C)c1nc(N)nc(CN2CC=C(c3ccccc3)CC2)n1 53778809 BBQYINXISSCMEN-UHFFFAOYSA-N 310.405 1.809 0 40 DDAB CC(C)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 952844877 QDSNZYYTCPZIGM-DGXTUMSLSA-N 303.362 1.060 0 40 DDAB biogenic,in-vitro Cc1ccc(CCC(=O)NCC(=O)NCc2noc(C)n2)cc1 72288325 WRXPSPMUPCURCH-UHFFFAOYSA-N 316.361 1.052 0 40 DDAB CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC(n2cncn2)CC1 74762213 GINVZCDBPAVQPE-QWHCGFSZSA-N 309.439 1.909 0 40 DDAB OC1(CNCc2cnc(N3CCOCC3)nc2)CCCCC1 96403165 YHQBKXNNDODZOW-UHFFFAOYSA-N 306.410 1.098 0 40 DDAB CS(=O)(=O)c1cccc(OCCN2CCCSCC2)c1 95975830 JZDXEJOSSQVNDC-UHFFFAOYSA-N 315.460 1.908 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)O 5732028 BZFGXOPHQDZQOB-CYBMUJFWSA-N 315.325 1.682 0 40 DDAB biogenic COc1ccc2ncc(NC(=O)NC[C@H]3CCCO3)c(O)c2n1 12222667 DCSIEYPDCPREFV-SECBINFHSA-N 318.333 1.645 0 40 DDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)Cc1cccnc1)C3 206952397 OKXTXSIAAWZTFX-UHFFFAOYSA-N 307.357 1.560 0 40 DDAB Nc1nc(O)c2c(n1)NC(=O)[C@@H]2CCc1ccc(C(=O)O)cc1 504231726 XDCYFUHVBXQODS-SECBINFHSA-N 314.301 1.131 0 40 DDAB in-vitro COC(=O)C1CCN(C(=S)NC(=O)C2CCCCC2)CC1 226357288 GDVSVVIKBGEHTA-UHFFFAOYSA-N 312.435 1.853 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605220 HXDNFMPTHLDYLM-LBPRGKRZSA-N 311.769 1.536 0 40 DDAB COc1cnc(N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)nc1 1888859889 IAECIOZPLPMWQS-CYBMUJFWSA-N 314.393 1.689 0 40 DDAB Cc1nc2ncnn2c(NCc2csc3ncnn23)c1C 1888910386 VCYXJDMWXPHNIS-UHFFFAOYSA-N 300.351 1.457 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1cccnc1 23874594 WGGMCPVTGDARPJ-UHFFFAOYSA-N 308.341 1.220 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@H](NCC3CC3)CS2)C1 2056224224 MHHVZUUAZSTFEI-ZDUSSCGKSA-N 304.419 1.176 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)c1 2056225017 TXDYKFQSXKSAIC-GFCCVEGCSA-N 306.435 1.216 0 40 DDAB CCc1nnc(C2CCN(c3ccc4nncn4n3)CC2)s1 2087000741 AGYMLXDBIXEKAR-UHFFFAOYSA-N 315.406 1.922 0 40 DDAB COCC(=O)N1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055751380 QCCOCDOZTGBPSX-UHFFFAOYSA-N 319.405 1.194 0 40 DDAB Cc1cc(CNC(=O)c2ccc(-n3nc(C)cc3C)nn2)ncn1 585360393 IMBCQRFLLAVITN-UHFFFAOYSA-N 323.360 1.308 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@H]1c1cnn(C)c1 69980981 NLXXPPBDCWZLPS-CVEARBPZSA-N 318.421 1.875 0 40 DDAB CC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1 1381533 CCBBFTJOKNWBBM-UHFFFAOYSA-N 300.409 1.647 0 40 DDAB CC(C)C[C@@H](C)N(C)C(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1 40508856 VYOXSHMAJAEWMQ-SNVBAGLBSA-N 318.377 1.128 0 40 DDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)ccc1OC 40528548 AQTMWJPVURSQFM-MRVPVSSYSA-N 305.783 1.398 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N(C)Cc1ccsc1)CC2 69952233 CYIWPWVMYSESAM-ZDUSSCGKSA-N 319.434 1.211 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccccn2)C1 51674196 JIXDJCLLVSYINI-CYBMUJFWSA-N 304.394 1.529 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(-c2cccs2)[nH]c1=O 75126156 KHOWGLLIYPRTLY-LLVKDONJSA-N 317.370 1.112 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)CCC2=O)c1 8470572 STIURPGYTBHKSL-ZDUSSCGKSA-N 302.330 1.249 0 40 DDAB NC(=O)C1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 21334688 MNKXQJCHWPDJJL-UHFFFAOYSA-N 316.336 1.553 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCO[C@@H]3CCC[C@@H]32)c(=O)[nH]1 75122524 QTGRACGTFCPGRW-UONOGXRCSA-N 305.378 1.455 0 40 DDAB CCOCCCNC(=O)CN1C(=O)C(C)(C)c2ccccc21 57355620 UHKWKEXDHQFJFU-UHFFFAOYSA-N 304.390 1.854 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1[nH]c(C)c(C(C)=O)c1C 32921864 UJIDKBGKIYRDGI-GFCCVEGCSA-N 307.394 1.725 0 40 DDAB CCOC(=O)N[C@H](C(=O)Nc1nnc(CC)s1)C(C)C 32912214 NHPJSVRPAUWYIN-VIFPVBQESA-N 300.384 1.810 0 40 DDAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100616338 RHWMYSAVEUCXPV-GVRJEKJASA-N 313.353 1.834 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@H](C)Cn2cccn2)c(=O)[nH]1 75111140 ITHHEJCUPGHACE-GFCCVEGCSA-N 303.366 1.076 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 37376999 BAIJOJWBDARVOD-SNVBAGLBSA-N 301.339 1.619 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCn1cncn1 41948120 KRRUADMTYYQRNT-UHFFFAOYSA-N 302.334 1.098 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnccn1)c1cc(F)ccc1F 69456644 FCINKHUYXMHFDC-LBPRGKRZSA-N 307.256 1.399 0 40 DDAB Cc1ccc(-c2nc(CC(=O)N3CC[C@@H](C(N)=O)C3)cs2)o1 53894371 RSDHDURJLXGQJM-SNVBAGLBSA-N 319.386 1.588 0 40 DDAB CCOCc1c(C(=O)N2CCNC(=O)C2)oc2ccccc12 23418963 XOSCRZVMDPLTFS-UHFFFAOYSA-N 302.330 1.541 0 40 DDAB COc1ccc(CN(C)c2ccc3nnnn3n2)c(OC)c1 54448223 ZJMIXXOYVRZQMG-UHFFFAOYSA-N 300.322 1.173 0 40 DDAB O=C(CN1CCC(O)CC1)Nc1ccc(N2CCCC2)cc1 12527070 CAVNNCBNQKWYDU-UHFFFAOYSA-N 303.406 1.682 0 40 DDAB Cc1cccc2nc(CNC(=O)NC3(CO)CCCC3)cn12 89689090 JRZYUIWSMKVQJF-UHFFFAOYSA-N 302.378 1.747 0 40 DDAB CCN(CC)S(=O)(=O)NCc1ccc2c(c1)OCCO2 23396181 GPEUBPWGRZEQFQ-UHFFFAOYSA-N 300.380 1.134 0 40 DDAB CN1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)C1=O 172405042 JZKINVQTEPTNNZ-KBPBESRZSA-N 321.352 1.139 0 40 DDAB CCCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 55421980 UTMQDGRVLPBENN-AWEZNQCLSA-N 308.353 1.469 0 40 DDAB CC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 3281841 HWNVGTFPHHADJY-UHFFFAOYSA-N 303.362 1.025 0 40 DDAB NC(=O)CC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 56089124 KEZJONLFEWSGRA-DHZHZOJOSA-N 308.403 1.575 0 40 DDAB Cc1nnc(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)s1 56502019 WTQJFEQRRPQGEU-VIFPVBQESA-N 319.390 1.673 0 40 DDAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC2(CC1)OCCO2 56636808 OVWYNCNZZOOIJF-OAHLLOKOSA-N 316.357 1.545 0 40 DDAB C[C@@H](NC(=O)NCc1ccco1)c1ccc(S(N)(=O)=O)cc1 17115217 CICMLKQFZDEOTM-SNVBAGLBSA-N 323.374 1.487 0 40 DDAB CC(C)C[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1 57617220 ZFDFDFPREFEMCU-OAHLLOKOSA-N 303.406 1.322 0 40 DDAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])N1CCc2sccc2C1 44491521 PVHDRJFKGMYCEI-JLLWLGSASA-N 309.391 1.276 0 40 DDAB O=c1[nH]c2cc3c(cc2cc1CNCCN1CCCC1)OCO3 23247891 VHBPQGYUNJQDCE-UHFFFAOYSA-N 315.373 1.442 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1 44895543 WNIMVTAWBWDUAF-LLVKDONJSA-N 322.386 1.987 0 40 DDAB NC(=O)c1cc(-c2csc(N3CCOCC3)n2)ccc1O 12793904 YMKGZTWBHDDKNY-UHFFFAOYSA-N 305.359 1.451 0 40 DDAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)[C@H]1CCCO1 27867904 QNIBNBOQSFCMMG-TZMCWYRMSA-N 318.373 1.486 0 40 DDAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccn1 10557466 ZNCLRIONNPJDJK-NSHDSACASA-N 308.341 1.738 0 40 DDAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN(CCO)CCO 28297087 FINIYVIRIUXIBZ-MRXNPFEDSA-N 320.433 1.214 0 40 DDAB Cc1ccc2[nH]cc(CCC(=O)N3CCN(CCO)CC3)c2c1 80776964 CGSZOOWJHDAFEB-UHFFFAOYSA-N 315.417 1.545 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 62912710 DCZRPZPOWLHLQY-CQSZACIVSA-N 311.359 1.027 0 40 DDAB COC(=O)c1ccc(NCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 17975947 ZIFIQHUSOBRSCV-ZIAGYGMSSA-N 314.341 1.794 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 69515376 KJJFKIWJJNXMLE-CYBMUJFWSA-N 322.434 1.196 0 40 DDAB Cc1sc2nnn(CC(=O)N3CCCCCC3)c(=O)c2c1C 5009883 RXIBSMBPCWIXNF-UHFFFAOYSA-N 320.418 1.872 0 40 DDAB Cc1nc(CN2CCC[C@H](NCc3cnc(C)s3)C2)no1 69849085 REVLVFFKPYLKOF-LBPRGKRZSA-N 307.423 1.897 0 40 DDAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(=O)[nH]n1 8136152 BKKIYAVNVLKYHY-UHFFFAOYSA-N 307.737 1.574 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)CCC2 65550149 CABMGLJCGYWBHE-LRDDRELGSA-N 300.402 1.830 0 40 DDAB COC(=O)c1c(C)nn(CN2CCO[C@H]3CCCC[C@@H]32)c1C 65550438 WXPJMHBDALDPGO-KBPBESRZSA-N 307.394 1.887 0 40 DDAB CCOC(=O)c1cnn2cc(C(=O)c3ccccc3O)cnc12 14168567 DKTKPNIKCROXRQ-UHFFFAOYSA-N 311.297 1.843 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 4514893 OTNPULBXKBFHOT-MKBNYLNASA-N 309.410 1.648 0 40 DDAB Cc1cc(C)n(C2CN([C@H](C)C(=O)Nc3cc(C)on3)C2)n1 69625006 DKFBDCGQXTXUOR-GFCCVEGCSA-N 303.366 1.680 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCc2ccc(Cl)cc2)C[C@@H](C)O1 14247638 WQYGRYABHFMONL-GHMZBOCLSA-N 318.826 1.784 0 40 DDAB COc1ccc(-c2nnc(CN3C(=O)NC(C)(C)C3=O)o2)cc1 14268814 CLMKEBKKFXAYJK-UHFFFAOYSA-N 316.317 1.576 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)NC(C)(C)C 14314291 XVVPYMRUWJFAQS-QMTHXVAHSA-N 306.362 1.246 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 8229563 LEFGFZMWAHDOQH-UHFFFAOYSA-N 324.764 1.449 0 40 DDAB COc1ccc(CNC(=O)NC[C@H](C)N(C)C2CC2)cc1OC 69223843 HHPMRRMFMMXLNB-LBPRGKRZSA-N 321.421 1.986 0 40 DDAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC2CC2)C1=O 5791752 FJNVEAMQBQZVHE-OAHLLOKOSA-N 323.299 1.010 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnn(C)c1C)c1cc(F)ccc1F 69390894 DCUYGKAFPCBQEX-ZDUSSCGKSA-N 323.299 1.651 0 40 DDAB CCCn1c(SCC(=O)NCc2ccc(C)cc2)n[nH]c1=O 6888201 RNZLTGNIIXYOEK-UHFFFAOYSA-N 320.418 1.698 0 40 DDAB Cc1cc(NC(=O)C2CCN(C(=O)[C@@H]3CCOC3)CC2)no1 66898626 OQRSIDDTBGREHQ-GFCCVEGCSA-N 307.350 1.197 0 40 DDAB Cn1c(CSc2ncnc3sccc23)cc(=O)n(C)c1=O 8706078 RTDFBOZXCOSPON-UHFFFAOYSA-N 320.399 1.381 0 40 DDAB CC(=O)c1c(F)cccc1N1CCC(CS(N)(=O)=O)CC1 83815619 IJJUKRLKUPESOX-UHFFFAOYSA-N 314.382 1.533 0 40 DDAB O=C(NCCCn1ccnn1)Nc1ccc(-n2cccn2)nc1 96010537 HBLVJRBUELPTMR-UHFFFAOYSA-N 312.337 1.071 0 40 DDAB Nc1nc(CCCNC(=O)c2cccc3ccnn23)cs1 72143136 BNKJPBWVEREECB-UHFFFAOYSA-N 301.375 1.736 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)CCN2CCOc1ccccc1 9322869 UITILHUBYAIOEN-UHFFFAOYSA-N 318.398 1.776 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc(OC)c1O 96335701 GXEOCZJSVPWUCK-JTQLQIEISA-N 317.345 1.925 0 40 DDAB CCSCCC(=O)N1CCN(Cc2noc(CC)n2)CC1 71893134 USNUIVCRLRHBCJ-UHFFFAOYSA-N 312.439 1.419 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCc1cccs1 71875492 ZVJQAYGFEGYBSU-CQSZACIVSA-N 318.446 1.768 0 40 DDAB CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 72290632 QMPASALJOGSLNF-KRWDZBQOSA-N 315.373 1.408 0 40 DDAB COC[C@H](C)NC(=O)N(C)Cc1nccn1CC(F)(F)F 72274176 UTAXZTPPWSEJPB-VIFPVBQESA-N 308.304 1.622 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(N(C)C)nc2)c1 72233957 VZXLZWGRXASSCK-HNNXBMFYSA-N 313.405 1.957 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 72235009 MPUPDJQDFSIZEU-FZMZJTMJSA-N 316.409 1.596 0 40 DDAB O=C(CCNC(=O)c1cccc2cc[nH]c12)NCc1ccccn1 97109036 OLPQYCMYQYOMMB-UHFFFAOYSA-N 322.368 1.999 0 40 DDAB CC(C)n1cnc(S(=O)(=O)NCC(C)(C)CN(C)C)c1 97115423 IJJUZBZPBPHMBA-UHFFFAOYSA-N 302.444 1.330 0 40 DDAB COCCCCS(=O)(=O)N1CCN(C)c2ccc(F)cc21 97163793 LVBPIPWVIUMFHO-UHFFFAOYSA-N 316.398 1.838 0 40 DDAB CC(C)CCO[C@@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 72306451 AEOXXQAWYZEKMR-LBPRGKRZSA-N 305.440 1.473 0 40 DDAB CN(C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C/c1ccccc1 72304237 GKCPWLCZHXSSAJ-NFGWICIOSA-N 315.417 1.415 0 40 DDAB O=C1CN(Cc2ccccc2)C2(CCN(C(=O)C3CC3)CC2)N1 72302538 WDTNZDWMNZYGBW-UHFFFAOYSA-N 313.401 1.347 0 40 DDAB Cc1ccnc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)c1 72400841 QECLHAUMLXMOLZ-UHFFFAOYSA-N 324.340 1.753 0 40 DDAB CCOCC1CCN(c2ncnc(-n3cccn3)c2N)CC1 95431651 RGGOFZNSBQJZNU-UHFFFAOYSA-N 302.382 1.497 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCN1 88059400 PMDRFVLRNAFAEV-VIFPVBQESA-N 324.324 1.568 0 40 DDAB C[C@H](C(=O)NC(C1CC1)C1CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 73814102 LQSPSMIYKMCQNK-SWHYSGLUSA-N 318.417 1.855 0 40 DDAB C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)O 95970469 GBUJOSVKZBRJJK-NWDGAFQWSA-N 304.346 1.219 0 40 DDAB CC(C)(C)c1nc(CNC(=O)N2CCCC[C@@H]2CCO)no1 95987581 IEMFMLDWHYJNRH-LLVKDONJSA-N 310.398 1.814 0 40 DDAB O=C([C@H](O)c1ccccc1)N1CCCC[C@H]1CN1CCOCC1 74365830 KNOJMUYPCDHSSX-DLBZAZTESA-N 318.417 1.433 0 40 DDAB CCc1nc(CC(=O)NC[C@H]2CCN(CCOC)C2)cs1 68477517 JESSQVVHRQRKHN-GFCCVEGCSA-N 311.451 1.333 0 40 DDAB FC(F)(F)c1nnc2ccc(N3CCN4CCC[C@@H]4C3)nn12 24659862 ZVODZYOJMPLRGS-SECBINFHSA-N 312.299 1.428 0 40 DDAB COc1cc([C@@H]2NCCC(=O)N2)cc(Br)c1OC 408737692 NTBGCEBHTXXDBL-GFCCVEGCSA-N 315.167 1.574 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)n(C)c2ncccc21 72389488 VATQSCHUEYXSEY-TXEJJXNPSA-N 302.378 1.525 0 40 DDAB C[C@]12CN(C[C@H]3CCOC3)C[C@H]1NC(=O)c1ccccc1C2=O 72395019 VRUPCYKPXRNLEA-DWQUBVKVSA-N 314.385 1.340 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1cccs1 72239739 KYHUVUOQAABOAG-AAEUAGOBSA-N 308.403 1.534 0 40 DDAB CCn1cc(S(=O)(=O)NC(C)(C)C(=O)c2ccccc2)cn1 521394466 MNMKAJPJIKFZGO-UHFFFAOYSA-N 321.402 1.843 0 40 DDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(N)CO)cc1 218050496 JXBFZNILVDCIJW-IKGGRYGDSA-N 317.410 1.625 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)CO 218415007 ZVOWQZRRRJGKPV-FRRDWIJNSA-N 303.811 1.178 0 40 DDAB O=C(C[C@H](CN1CCCCC1)C(=O)O)Nc1cccc(O)c1 71283065 ZUKXIWMLGTUNBK-GFCCVEGCSA-N 306.362 1.908 0 40 DDAB Cc1cc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc(C)n1 374623471 DDFUBVCYSGWLPB-UHFFFAOYSA-N 310.423 1.098 0 40 DDAB c1cnc2[nH]c(C3CCNCC3)c(CN3CCOCC3)c2c1 72394680 YLYKLHHYTOJKFE-UHFFFAOYSA-N 300.406 1.862 0 40 DDAB CCc1nnc2ccc(=NC[C@H]3NCCc4ccccc43)[nH]n12 561268014 YVGPNIDGJPKLSR-CQSZACIVSA-N 308.389 1.408 0 40 DDAB CC(C)(C)n1cc(C(=O)N2C[C@H](CN)C3(CCOCC3)C2)cn1 566211274 IECPBEXOAAZFAA-AWEZNQCLSA-N 320.437 1.466 0 40 DDAB Cc1cccn2cc(CNC(=O)c3nc4nccc(C)n4n3)nc12 78596675 GQZNABFJGSVMMP-UHFFFAOYSA-N 321.344 1.319 0 40 DDAB CCS(=O)(=O)NCC(O)(c1cccs1)c1cccs1 77190071 VSTSQYFWTZSFSU-UHFFFAOYSA-N 317.457 1.985 0 40 DDAB O=C(c1cc2ccccc2oc1=O)N1CCN(CC(F)F)CC1 61602216 ZWCZJEHWGTXNIY-UHFFFAOYSA-N 322.311 1.816 0 40 DDAB O=C(Cc1noc2ccccc12)N1CC[C@@H](Oc2cccnn2)C1 225409656 OCXNGBAVINTENL-GFCCVEGCSA-N 324.340 1.840 0 40 DDAB C[C@H](C(=O)N(C)[C@@H](C)CS(C)(=O)=O)[C@@H](N)c1ccccc1 195543479 CYUQJCKGOSBDPD-SGMGOOAPSA-N 312.435 1.214 0 40 DDAB CC(C)OC(=O)[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1 226080977 KFFBPLCIYDKNMK-AWEZNQCLSA-N 318.377 1.912 0 40 DDAB C[C@@H](C(=O)N(C)[C@H](C)CS(C)(=O)=O)[C@@H](N)c1ccccc1 195543484 CYUQJCKGOSBDPD-YRGRVCCFSA-N 312.435 1.214 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2cccn2C)cc1 75155050 PHYSPJQGKGULEO-CQSZACIVSA-N 302.330 1.275 0 40 DDAB CCC[C@@H](C)CS(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 195553244 JLRUJWCNQXSXIM-KGLIPLIRSA-N 314.455 1.756 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1nc2ccc(F)cn2n1 85740426 PEWCGTLLVGYQMA-UHFFFAOYSA-N 302.313 1.400 0 40 DDAB CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCOC2)cc1 88688711 XUQRWNUUMIJNSQ-AWEZNQCLSA-N 312.435 1.594 0 40 DDAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1CCOCC1)C2 225495258 CKIYPGLLVCKALI-INIZCTEOSA-N 305.422 1.572 0 40 DDAB biogenic,in-vitro C[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)C(=O)N1c1ccccc1 96425952 ZZKMRFDHDRFDQD-UMVBOHGHSA-N 312.373 1.754 0 40 DDAB COc1ccc(CN2CCCc3c(c(=O)n(C)n3C)C2)cc1 96201042 UUMUBEFJTNEEPR-UHFFFAOYSA-N 301.390 1.681 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@]2(CCCN(c3nncs3)C2)CO1 96074315 JOCKYGBOSITDQU-IUODEOHRSA-N 322.434 1.582 0 40 DDAB CN(C)CCOCc1cncc2c1CCN([C@H]1CCOC1)C2 96189351 CMDMRHBVMQIGQD-INIZCTEOSA-N 305.422 1.307 0 40 DDAB Cc1cnc([C@@H](NC(=O)NCC[S@](C)=O)C2CC2)s1 96440356 ALRXWRGKWHOJQR-APBUJDDRSA-N 301.437 1.580 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1=O 96224024 LZFRTTDCWAXBDU-QGZVFWFLSA-N 317.389 1.183 0 40 DDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@H]2CCOC2)cn1 96200708 NDVUXHLCMDHYLD-ULQDDVLXSA-N 305.422 1.621 0 40 DDAB O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96057901 MRCSBZHVHIJDLM-BFHYXJOUSA-N 301.408 1.137 0 40 DDAB CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1 96206648 DJEVCEUFYDXSEF-CZUORRHYSA-N 319.409 1.266 0 40 DDAB O=C1N(Cc2cccnc2)CC[C@]12CCCN(c1ncccn1)C2 96224324 DAWYMLZNTQNYDW-SFHVURJKSA-N 323.400 1.891 0 40 DDAB CCOc1ncnc2c1CCN(C(=O)c1cccn1C)CC2 96058766 GDBMPFSJNMJQIP-UHFFFAOYSA-N 300.362 1.455 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257251776 JSDVAGXMXAMBGD-GFCCVEGCSA-N 310.361 1.781 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)CCc2ccc(Cl)cc2)CCO1 257324804 WQGMYDINRMZFCB-MRXNPFEDSA-N 324.808 1.636 0 40 DDAB COc1ccc2nnc(CNC(=O)c3cc4ccccc4[nH]3)n2n1 252485085 GNJFDUQMLUNFTQ-UHFFFAOYSA-N 322.328 1.544 0 40 DDAB CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)O)nn2)CC1 575414994 DPPWIYWTNHIVOL-UHFFFAOYSA-N 322.365 1.668 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1Cc1ccc(C(=O)O)cc1 585277465 LZVYWAGPICPAOB-MRXNPFEDSA-N 306.362 1.241 0 40 DDAB O=C(NC1CCCC1)[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 585095940 FJBGZZIPBOZLOT-OAHLLOKOSA-N 316.405 1.625 0 40 DDAB Cc1ccc(CN(CC(=O)N2CCNC(=O)C2)C(C)C)s1 65549225 MBWRPWWZJODREQ-UHFFFAOYSA-N 309.435 1.225 0 40 DDAB C[C@@H](O)c1cn(CC(=O)NCCCc2cccc(F)c2)nn1 84667457 ISFBDEZXTVCLTM-LLVKDONJSA-N 306.341 1.220 0 40 DDAB CO[C@@H](CNC(=O)N1CCCN(C(C)=O)CC1)c1ccccc1 79134419 ZTLPBTOFEPQRKA-INIZCTEOSA-N 319.405 1.638 0 40 DDAB COCCOc1cc(C(=O)NCCCn2ccnc2)ccn1 183404536 PBPJGOAIBTYRPL-UHFFFAOYSA-N 304.350 1.123 0 40 DDAB CN1CC[C@H]2CC(=O)NC[C@H](O)C(C)(C)COCCC[C@H]2C1 1534613754 XTQNAYXNOFMIJU-KKUMJFAQSA-N 312.454 1.258 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1 6011771 MGOWHNWZVJBSFY-BQYQJAHWSA-N 311.721 1.941 0 40 DDAB O=C(C[C@H](C(=O)O)N1CCOCC1)Nc1ccccc1Cl 5636893 CQSMXWUOWPIGRU-GFCCVEGCSA-N 312.753 1.454 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2cc(Cl)ccc2O)n1 12451819 YNEFMAYASUKMPR-UHFFFAOYSA-N 323.740 1.236 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3[nH]cnc23)no1 13578842 PPXOWNPFJIEKOD-SSDOTTSWSA-N 304.335 1.769 0 40 DDAB Cc1ccc(-c2nnc([C@@H]3CCCN(CC(N)=O)C3)o2)s1 19217577 WULDVRZIOHXQKO-SNVBAGLBSA-N 306.391 1.771 0 40 DDAB CCn1c(SCCN2CCOCC2)nc2ccccc2c1=O 19523698 XKXMSRWTSOCPLQ-UHFFFAOYSA-N 319.430 1.841 0 40 DDAB O=C(NCC1CCN(c2cnccn2)CC1)NC[C@H]1CCCO1 225555170 MZGNQGZMWKOBJF-CQSZACIVSA-N 319.409 1.171 0 40 DDAB CCS(=O)(=O)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888844308 TYUDADGXTJFGTH-CHWSQXEVSA-N 322.434 1.072 0 40 DDAB CCC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@H]2C1 1888844495 AEQBACOEZVCROL-CHWSQXEVSA-N 300.406 1.578 0 40 DDAB CC(C)c1nc(N2CCN(c3ncccn3)CC2)nc(O)c1F 1888855865 TVMXSVNOXNSEMX-UHFFFAOYSA-N 318.356 1.561 0 40 DDAB c1ccc2[nH]c(N3CCN(c4ccc5nccn5n4)CC3)nc2c1 1888930388 VAVXXELTNQFOND-UHFFFAOYSA-N 319.372 1.932 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2ccc(F)cc2C)C1=O 28658796 HTHSNHRIMYRWEC-OAHLLOKOSA-N 322.340 1.298 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)nc1 31215472 CXGDMGBWKKBWSD-CYBMUJFWSA-N 310.357 1.772 0 40 DDAB CC(C)/C=C/C(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056223740 CZWSRTIQCMTQDF-NVFZZLLCSA-N 302.378 1.105 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)CC[C@@H]2C1 1565549725 AKVDWDOCFGZGQU-IUODEOHRSA-N 305.378 1.345 0 40 DDAB COC(=O)c1ccc2c(=O)n(CC(OC)OC)c(=S)[nH]c2c1 425238 LEUBLNPTNIWHKR-UHFFFAOYSA-N 324.358 1.465 0 40 DDAB COc1ccc(NC(=O)CSc2nncc(O)n2)cc1OC 4292242 ITDNHZQOLLHIJC-UHFFFAOYSA-N 322.346 1.325 0 40 DDAB CCn1cc(CN2CCC3(CC2)C[C@H](N(C)CCF)CO3)cn1 2055754627 KYMLZQHHMCZAIO-INIZCTEOSA-N 324.444 1.928 0 40 DDAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N1CCOCC1 23144049 PVUZRTCWAXUNFK-UHFFFAOYSA-N 322.368 1.957 0 40 DDAB COc1nc(OC)nc(N2CCN(c3ccccc3C)CC2)n1 2298048804 CYMYUWQVYGDTDW-UHFFFAOYSA-N 315.377 1.524 0 40 DDAB O=c1ccc(-c2ccc3c(c2)OCCO3)nn1C[C@@H]1CCCN1 12141826 DRAREDJQNSFKPL-ZDUSSCGKSA-N 313.357 1.434 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 96432154 ZYYUVTXAZMHDRX-FMKPAKJESA-N 324.384 1.605 0 40 DDAB CCONC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 73083487 LZDBGVNEEWZSNT-UHFFFAOYSA-N 314.297 1.757 0 40 DDAB CN(C(=O)c1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 40489046 FZZIRHUUYGVACR-QMMMGPOBSA-N 305.758 1.738 0 40 DDAB Cc1ccc(NC(=O)NC(=O)Cn2ccsc2=N)c(C)c1 7737855 LHDPEHZHORHCPO-UHFFFAOYSA-N 304.375 1.994 0 40 DDAB COCCN1CC[C@@H](CNC(=O)COc2ccccc2C)C1 68493758 IXFPTOQMTOVYRF-HNNXBMFYSA-N 306.406 1.458 0 40 DDAB CCOc1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1 40553318 NFQHUKJPIWAEFZ-UHFFFAOYSA-N 315.377 1.728 0 40 DDAB CC(C)N(C)S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 40527987 FAMCQDBAPXSHEB-UHFFFAOYSA-N 314.407 1.475 0 40 DDAB CN(C)CCCOC(=O)C[C@@](C)(O)[C@H]1CCOC(C)(C)C1 2095078 DOOPQZWBQGMYGP-XJKSGUPXSA-N 301.427 1.828 0 40 DDAB biogenic CCOC(=O)C1=C(c2ccc3c(c2)OCO3)NC(=O)N[C@H]1C 3190181 DRAGSUGWZHDBRW-QMMMGPOBSA-N 304.302 1.391 0 40 DDAB C[C@H]1[C@@H](OC(=O)CN2CCC(=O)NC2=O)C[C@H]2C[C@H]1C2(C)C 101055899 BSMMNNNPGZWSEC-KKOKHZNYSA-N 308.378 1.542 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(OC)cc1)C(=O)N2 20717123 QGSLERAOVJCVGS-NSHDSACASA-N 315.333 1.371 0 40 DDAB CCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 6880198 KZNGZGHWCWGGDY-UHFFFAOYSA-N 321.782 1.580 0 40 DDAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)S(C)(=O)=O 45986120 AFQOZDKULWDIRM-ZJUUUORDSA-N 324.402 1.182 0 40 DDAB CCc1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 75145638 LRMNWJBRGYQUHB-UHFFFAOYSA-N 321.402 1.742 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)nc1 33213530 LSAQAZCUNZZNSA-CYBMUJFWSA-N 313.361 1.008 0 40 DDAB CN(C)C(=O)C1CCN(C(=O)NCc2ccccc2F)CC1 53519094 ONFDHBJNRQTJGI-UHFFFAOYSA-N 307.369 1.836 0 40 DDAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 22620273 RAGLVPCBKZMVEN-HNNXBMFYSA-N 313.357 1.913 0 40 DDAB Cc1nc(CC(=O)N2CCN(c3nccs3)CC2)cs1 23008035 WRALFVXPVGCAAI-UHFFFAOYSA-N 308.432 1.799 0 40 DDAB Cc1cccc(OCCCNC(=O)C2=NN(C)C(=O)CC2)c1 24240788 ASLJSOOOZDDCAA-UHFFFAOYSA-N 303.362 1.488 0 40 DDAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 108527897 QWVBANIEJQFAPO-ZDUSSCGKSA-N 306.410 1.136 0 40 DDAB C[C@H](NC(=O)C(=O)NCc1ccncc1)c1ccc(F)cc1 22540620 ASNHMTWGYZZIJW-NSHDSACASA-N 301.321 1.714 0 40 DDAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(C[C@H](O)CN1CCCCC1)C2=O 100628386 SFPMCNGQOVTBMP-HBUWYVDXSA-N 322.449 1.645 0 40 DDAB CC(C)[C@@H](OC(=O)c1nccnc1N)C(=O)NC1CCCC1 43839706 QYZVIAUHFJPTRB-GFCCVEGCSA-N 306.366 1.299 0 40 DDAB CCC(CC)NC(=O)CN1CCN(c2ccccc2O)CC1 57293232 VKRGNTURJMBLIW-UHFFFAOYSA-N 305.422 1.819 0 40 DDAB Cn1cc(NC(=O)C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1=O 108163639 WZGYEJVWLUIPJD-RWMBFGLXSA-N 317.389 1.266 0 40 DDAB CCCn1c(=O)c2ccccc2n(CC(=O)NC(C)(C)C)c1=O 57477570 DHZNFAUSDDKRGV-UHFFFAOYSA-N 317.389 1.488 0 40 DDAB Cn1cnnc1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 26823461 UHXYHVIJUPFTJG-UHFFFAOYSA-N 320.418 1.525 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(C[C@@H]2CC2(Cl)Cl)CC1 44895188 PKULGQVJWYXYOW-QWRGUYRKSA-N 320.264 1.465 0 40 DDAB CCn1ccc2cc(NC(=O)Cn3ccc(=O)[nH]c3=O)ccc21 58280408 NSZIMSQPYYICKU-UHFFFAOYSA-N 312.329 1.150 0 40 DDAB CC[C@](C)(NC(=O)c1cccnc1OCCOC)C(=O)OC 58265272 IVZWSVBCLIQRMG-HNNXBMFYSA-N 310.350 1.178 0 40 DDAB C[C@@H]1CN(C(=O)CCNC(=O)Cc2cccs2)C[C@@H](C)O1 58282120 VCZBGWZMIUFACA-VXGBXAGGSA-N 310.419 1.433 0 40 DDAB C[C@@H]1CCCN(C(=O)Cn2c(-c3ccccn3)noc2=O)C1 58277820 MVPIJVNMBXFJGW-LLVKDONJSA-N 302.334 1.157 0 40 DDAB Cc1cc([C@@H]2CCCN2Cn2nc3n(c2=O)CCCCC3)on1 44979288 XODRRYMALHPMRE-ZDUSSCGKSA-N 317.393 1.862 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H](C)O1 12694860 USUAHKWMNYETHB-GRYCIOLGSA-N 305.378 1.222 0 40 DDAB O=C(CCn1cncn1)N1CCN(c2cccc(Cl)c2)CC1 12615950 PQELXUXXECLTGE-UHFFFAOYSA-N 319.796 1.670 0 40 DDAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 48363309 AUCPFXZVBGMYQX-HUUCEWRRSA-N 306.406 1.440 0 40 DDAB O=C(CN1CCC[C@@H]1CN1CCCCC1)NCC(F)(F)F 69078531 HMCOLYGWLJMYEJ-GFCCVEGCSA-N 307.360 1.615 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccncc1 13072262 HQIZPBUPJKBAEH-JTQLQIEISA-N 306.343 1.819 0 40 DDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccco1 8277337 NWTMMXSEYLTTJW-HNNXBMFYSA-N 317.341 1.818 0 40 DDAB COc1cc(CN(C)CC(N)=O)cc(Br)c1OC 49470113 AAFWLMAAVDWEJG-UHFFFAOYSA-N 317.183 1.383 0 40 DDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(NC(C)=O)CC1 69382357 RQMGWWFHMSNOPK-OAHLLOKOSA-N 308.353 1.640 0 40 DDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 13689408 ILMCHNRALKDPHE-UHFFFAOYSA-N 324.384 1.160 0 40 DDAB C[C@@H]1CN(C(=O)COC(=O)CCOc2ccccc2)C[C@@H](C)O1 5020780 DYYNUDZSDRJDRK-ZIAGYGMSSA-N 321.373 1.635 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1ccnc(Cl)c1 13718836 QFYKLCRBDMNMLE-GFCCVEGCSA-N 319.748 1.523 0 40 DDAB O=C1CCc2cc(OC[C@H](O)CNC3CCCC3)ccc2N1 65473071 PBIIDQAHZOBPAV-CQSZACIVSA-N 304.390 1.843 0 40 DDAB Cc1cc(C)c(CNC(=O)Cn2cnc3ccccc32)c(=O)[nH]1 65458340 BWPKCSBAVIVRFS-UHFFFAOYSA-N 310.357 1.658 0 40 DDAB O=C(NCCCO)C(=O)NCC1(c2ccccc2)CCCC1 4545368 BUSJCBRBQLPGSH-UHFFFAOYSA-N 304.390 1.113 0 40 DDAB O=C(CCC(=O)c1ccccc1)NCCCN1C(=O)CCC1=O 69414546 DMPQOSOOLRHRFP-UHFFFAOYSA-N 316.357 1.305 0 40 DDAB O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]1C(=O)O 5428610 ASKYUNKQJIMTOK-VHSXEESVSA-N 303.236 1.922 0 40 DDAB O=C(CN1CCN(C(=O)CCc2ccsc2)CC1)NC1CC1 14237870 OTGVUHTWMPHRJV-UHFFFAOYSA-N 321.446 1.104 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)Cn2c(C)csc2=O)c1 6651784 NTCATZXYPZYNHD-UHFFFAOYSA-N 320.370 1.952 0 40 DDAB C[C@@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)C1CC1 61976393 PUJSUBCKJGMCHD-OAHLLOKOSA-N 311.403 1.128 0 40 DDAB COc1ccccc1CC(C)(C)NS(=O)(=O)c1cnn(C)c1 69739087 ZAMRDWRLRHXEFU-UHFFFAOYSA-N 323.418 1.728 0 40 DDAB NC(=O)[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2CCC3)C1 66796512 BRNVYCUJUGEFED-ZDUSSCGKSA-N 323.400 1.729 0 40 DDAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCOCC1 67284641 MUFYRVSNHVTJSD-UHFFFAOYSA-N 307.741 1.674 0 40 DDAB O=C(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408618653 DUZYIVJQVZPIKP-OCKGCPIVSA-N 307.349 1.809 0 40 DDAB Cn1c(CNC(=O)Nc2ccc3c(c2)COC3)n[nH]c1=S 92165028 BQJJNKHFAIVRJY-UHFFFAOYSA-N 305.363 1.830 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCC1 7293069 SLWOCAOYRZDJTL-UHFFFAOYSA-N 314.345 1.355 0 40 DDAB O=C(/N=c1\[nH]nc2ccccn12)[C@H]1COc2ccc(F)cc2C1 90367801 OMKZFJWANPUGIY-LLVKDONJSA-N 312.304 1.480 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCOCC2)C1 67802707 ZQHZKNDDTPUHRE-LBPRGKRZSA-N 313.398 1.428 0 40 DDAB O=C(CCNc1ccc2nccnc2n1)NCc1ccccn1 96011445 NVSGLJIFHHFUMX-UHFFFAOYSA-N 308.345 1.538 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)C2CC2)c1C 9313900 YHMVLUKMVZBFKY-VIFPVBQESA-N 322.361 1.490 0 40 DDAB 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303.387 1.841 0 40 DDAB O=C(Cn1cc(-c2ccccc2)nn1)N1CCc2[nH]ncc2C1 89851235 KGFJANMINOFHGJ-UHFFFAOYSA-N 308.345 1.253 0 40 DDAB CCCNC(=O)CN1CCN(c2nc3ccccc3o2)CC1 22759722 GQNVEXMHOFRAFG-UHFFFAOYSA-N 302.378 1.476 0 40 DDAB CCc1cc(N[C@H](C)C(=O)N2CCCCC2)n2ncnc2n1 54061097 RHWRBWOZDJCBDP-LLVKDONJSA-N 302.382 1.500 0 40 DDAB O=C(NCc1cccnc1-n1cccn1)c1cn2ccccc2n1 42495764 NLJRBODEGHRCDM-UHFFFAOYSA-N 318.340 1.845 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 78625514 JNALXTGEQSJOEG-CYBMUJFWSA-N 300.362 1.021 0 40 DDAB CC(C)n1ccc(CN2CCO[C@@H](CNc3cccnn3)C2)n1 78893560 WDXDFGNNRFQLBC-HNNXBMFYSA-N 316.409 1.567 0 40 DDAB CC1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 104084437 QVDHHCSRGUHBMV-OKILXGFUSA-N 306.406 1.810 0 40 DDAB COc1ccccc1OCCN1CCO[C@@H](Cn2cccn2)C1 105890534 JFEAEJSFDWCXRG-OAHLLOKOSA-N 317.389 1.672 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCC1 55275363 IXDMHWMZFOZDNA-CYBMUJFWSA-N 302.440 1.640 0 40 DDAB COc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1O)C(=O)N2 1320672 VAZSHEXDBXONPO-QGZVFWFLSA-N 313.309 1.814 0 40 DDAB COc1ccc([C@H](C)NC(=O)NCCn2ccnc2)c(OC)c1 43311153 IELNEFCHQYGYPN-LBPRGKRZSA-N 318.377 1.961 0 40 DDAB O=C(Nc1ccncc1)c1ccc(CN2C(=O)CNC2=O)cc1 12597702 IGVAIUVSJSVSEY-UHFFFAOYSA-N 310.313 1.386 0 40 DDAB COc1ccc(CNc2nc(=O)c3cn[nH]c3[nH]2)cc1OC 106462040 KXTFJXGXAAYKEE-UHFFFAOYSA-N 301.306 1.276 0 40 DDAB COc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1OC 106517093 JPCOXCWSVMBKDJ-QWHCGFSZSA-N 320.389 1.297 0 40 DDAB CC[C@H]1CN(c2nn3cc(C)nc3s2)CCN1C[C@H](C)O 106906098 VDVFLFXFHYICHN-RYUDHWBXSA-N 309.439 1.381 0 40 DDAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nccs1 107046154 USOHIVDURPMIHW-MXWKQRLJSA-N 316.448 1.810 0 40 DDAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 1576102 RWAYODJQGJVQGX-FZMZJTMJSA-N 322.361 1.528 0 40 DDAB CCCc1noc([C@H](C)SCc2nc(N)nc(N(C)C)n2)n1 56230072 MAACWMMPORDFIX-QMMMGPOBSA-N 323.426 1.850 0 40 DDAB NC(=O)CCCNC(=O)c1cccnc1Nc1ccccc1F 57212929 YKCFCAVRIDPUNH-UHFFFAOYSA-N 316.336 1.960 0 40 DDAB COc1ccc(OCCC(=O)OCC(=O)NC(C)(C)C)cc1 3249928 ZFJGVNYWNZSANI-UHFFFAOYSA-N 309.362 1.922 0 40 DDAB CN(C)C(=O)NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21 306126879 FHVOFIXNPQSVDO-CQSZACIVSA-N 321.425 1.080 0 40 DDAB COC(=O)[C@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 27561119 IJBKOLJXCZZFLC-CYBMUJFWSA-N 301.346 1.451 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(OC(F)F)c(OC)c1 7644348 LYOOUTQEZBTLKL-MRVPVSSYSA-N 316.304 1.551 0 40 DDAB CC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CCO1 44868044 ZTTSYNJXVUSAEH-CYBMUJFWSA-N 318.373 1.588 0 40 DDAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1cc[nH]n1 44936568 IURXHARCLSTOMX-UHFFFAOYSA-N 308.288 1.124 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 48104869 IGNRQMLHCOPKNB-UHFFFAOYSA-N 306.366 1.082 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 48310316 DWIDGJJRQQZBIF-LLVKDONJSA-N 324.450 1.319 0 40 DDAB CNC(=O)COc1ccc(CNc2ccccn2)cc1OC 48353688 OAHVIHNTYZMTBG-UHFFFAOYSA-N 301.346 1.827 0 40 DDAB C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCNC(=O)C1 48315568 OZLRXQYIZLMDJT-QMMMGPOBSA-N 317.172 1.719 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)NC)ccc1Br 12904458 ZZRNJSMBPBWKPV-UHFFFAOYSA-N 322.180 1.534 0 40 DDAB O=C(NCCc1cccs1)N1CCN(c2ncccn2)CC1 12950028 NSCIZPAXGSFBRN-UHFFFAOYSA-N 317.418 1.612 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CCCCC1)C2=O 3563746 JQXNPSCJRVCOHV-SJKOYZFVSA-N 321.421 1.936 0 40 DDAB O=C(CSc1cccc[n+]1[O-])Nc1nc2c(s1)CCC2 48583407 YBABBYOPANMBTH-UHFFFAOYSA-N 307.400 1.996 0 40 DDAB O=C(c1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 70021230 NJBREHLQQXFDGL-KRWDZBQOSA-N 311.385 1.573 0 40 DDAB CCN1C(=O)C(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O 6150204 QCHHCTDFFGLYLX-UHFFFAOYSA-N 304.302 1.209 0 40 DDAB COCCOCCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O 69414819 XVFIVKPWEVANQL-UHFFFAOYSA-N 322.283 1.177 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1ccc3c(c1)CCO3)C2 65474223 OLUXQMNVLUDKDY-OAHLLOKOSA-N 311.385 1.800 0 40 DDAB O=c1c2ccccc2ncn1Cc1cc(=O)n2ccsc2n1 5316181 JNBLGIYJFIAKAC-UHFFFAOYSA-N 310.338 1.514 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCc2ccccc21 6548790 MMCVIVKIZBIXSN-AWEZNQCLSA-N 322.364 1.706 0 40 DDAB O=C(CN1CCCC[C@@H]1C(=O)N1CCCC1)N1CCCCCC1 69584926 VFSLTJWGAWMMIU-MRXNPFEDSA-N 321.465 1.866 0 40 DDAB CCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@H](C)C2 20801793 VWOYUFVBFAKFMJ-GFCCVEGCSA-N 317.437 1.815 0 40 DDAB Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cn1 69846778 QZMWQAKUBKMUHO-UHFFFAOYSA-N 300.314 1.814 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccc3c(c2)OCCO3)c(=O)[nH]1 7118033 YTNSHBIEVIYJPO-UHFFFAOYSA-N 314.341 1.693 0 40 DDAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(N)=O 408709419 SMAMBQSIGFBIHP-UHFFFAOYSA-N 311.341 1.349 0 40 DDAB O=C([C@@H]1CCOC1)N1CCN(Cc2ccc(Cl)cn2)CC1 96502379 HTVASWSIKWFGKC-GFCCVEGCSA-N 309.797 1.416 0 40 DDAB CCn1nnc2cc(C(=O)N[C@H](C(N)=O)c3ccccc3)ccc21 8987346 VCSCFHLXTUCBKG-HNNXBMFYSA-N 323.356 1.408 0 40 DDAB CC[C@](NC(=O)c1ccc(-n2cnnc2)cc1)(C(N)=O)C(C)C 96006568 YRPANGDADNAMGY-MRXNPFEDSA-N 315.377 1.287 0 40 DDAB COCCn1cc2c(n1)[C@H](NC(=O)c1cc(C)n[nH]1)CCC2 96002910 QKAPVKCXISGLFL-GFCCVEGCSA-N 303.366 1.368 0 40 DDAB CN(C)c1ccc(C(=O)NCCCOC[C@@H]2CCOC2)cc1 71920703 SRLMFWZKUCFGKV-AWEZNQCLSA-N 306.406 1.926 0 40 DDAB O=S1(=O)N[C@H](Cc2ccc(O)cc2)[C@H](O)c2ccccc21 9575356 NOXJQVLKFXEKCM-UKRRQHHQSA-N 305.355 1.329 0 40 DDAB COCCn1cc(NC(=O)NC[C@@H](CC(C)C)N(C)C)cn1 71804880 QKZCHQOBOPYNGF-CQSZACIVSA-N 311.430 1.627 0 40 DDAB O=C(c1ccc(O)nn1)N1CCCN(CC2CCCCC2)CC1 71820057 ZDEDXAZBIXAODG-UHFFFAOYSA-N 318.421 1.910 0 40 DDAB CCS(=O)(=O)Nc1ccc(NC(=O)CCn2ccnc2)cc1 71853778 OZPPBMSREDABPJ-UHFFFAOYSA-N 322.390 1.674 0 40 DDAB O=C(c1cn[nH]n1)N1CCN(Cc2ccc(F)cc2Cl)CC1 71819858 DUBZRCZQQZJBSM-UHFFFAOYSA-N 323.759 1.555 0 40 DDAB CC1CCN(C[C@H](O)Cn2c(CO)nc3ccccc32)CC1 71824985 NBIDFACTBSXNFW-AWEZNQCLSA-N 303.406 1.621 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 71870738 YCVRTJQQNCHKRQ-AWEZNQCLSA-N 314.389 1.622 0 40 DDAB CN(CC(N)=O)C(=O)c1ccc(COc2ccccc2F)o1 71829201 NNCKLUQUCQSVGU-UHFFFAOYSA-N 306.293 1.555 0 40 DDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)nnn2C 71870448 SPKGDWAPGVTBCP-HOTGVXAUSA-N 313.405 1.667 0 40 DDAB Fc1cnc(N2CC(c3ccncc3)C2)nc1N1CCOCC1 72135367 CIVSSKIIWQABSQ-UHFFFAOYSA-N 315.352 1.451 0 40 DDAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 28097595 VERJSNCOOGMEFY-UHFFFAOYSA-N 316.401 1.706 0 40 DDAB CCc1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1ccc(F)cc1 97019568 QOOCECBKHATDGO-GFCCVEGCSA-N 302.353 1.747 0 40 DDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 97263652 MZGRCBMROOWMTM-SSDOTTSWSA-N 320.233 1.808 0 40 DDAB O=C(OCc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 84539399 VYRQGBABNSYGLP-MRXNPFEDSA-N 304.390 1.977 0 40 DDAB C[C@@H](NC(=O)NCCC(=O)N1CCCCCC1)[C@H]1CCCO1 84636576 YQYUMYRBTQGECM-ZIAGYGMSSA-N 311.426 1.646 0 40 DDAB Cc1cc(CN2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)on1 95402261 UBDNEWILLRFITA-CYBMUJFWSA-N 317.393 1.950 0 40 DDAB CO[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 95400514 RTCSKMMPNZTSIJ-IAGOWNOFSA-N 318.417 1.525 0 40 DDAB CC[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1N1CCOCC1 84735799 YTBSHNSTGAWMTP-CVEARBPZSA-N 320.437 1.233 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H](C(=O)Nc2cnccn2)C1 95953096 XQWUTUYRCCPNEL-ZDUSSCGKSA-N 315.377 1.932 0 40 DDAB Cc1ncc(C(=O)N(CCC(=O)O)C2CCOCC2)c(C)n1 516136848 GPYGBGWVWWJZNH-UHFFFAOYSA-N 307.350 1.189 0 40 DDAB CCn1c(SCCOCCNC(C)=O)nnc1-c1ccco1 521394551 WSHFEZXDIUSWHZ-UHFFFAOYSA-N 324.406 1.803 0 40 DDAB Cc1cnc(CCNC(=O)[C@H]2CCN(c3ncccn3)C2)s1 72352818 YFFOYEFIIRMPEA-LBPRGKRZSA-N 317.418 1.427 0 40 DDAB O=C(NCc1ccon1)N1Cc2cccnc2N2CCC[C@@H]2C1 1552800896 KUECXPXZZKFOEI-CQSZACIVSA-N 313.361 1.764 0 40 DDAB CCn1nc(C)cc1C(=O)OC[C@H]1CN(CC(C)C)CCO1 77957710 ZPELZPQECHJNPS-CQSZACIVSA-N 309.410 1.725 0 40 DDAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(C)CC1 31864815 FKFRJRZSBUAQTE-UHFFFAOYSA-N 302.403 1.901 0 40 DDAB CC(=O)Nc1nc(C(=O)NCc2ccc3c(c2)OCO3)cs1 31780115 BMEOLYGQTZBNTI-UHFFFAOYSA-N 319.342 1.760 0 40 DDAB COc1cccc(C(=O)NCc2cc(C)nc(N(C)C)n2)c1 189947972 ILTOBALRFPQGIO-UHFFFAOYSA-N 300.362 1.790 0 40 DDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 32138798 YMWFHSQAAOPGHO-KPWCQOOUSA-N 313.309 1.306 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(N)C(=O)O 218576063 LIEZWOARQLCJMM-SCVCMEIPSA-N 303.767 1.023 0 40 DDAB CCO[C@@H](C)c1noc(CNC(=O)c2ccc3[nH]cnc3c2)n1 75159029 MMHXNRBLZQQJNK-VIFPVBQESA-N 315.333 1.973 0 40 DDAB O=C(NCCCn1cccn1)[C@@H]1CCC(=O)N1Cc1ccco1 72238364 QKQLPJIOAPEYIG-AWEZNQCLSA-N 316.361 1.174 0 40 DDAB COc1cccc([C@@H](C)N2CCN(C(=O)[C@@H](N)C(C)C)CC2)c1 195543800 PVSZLOLQVOLVOM-PBHICJAKSA-N 319.449 1.884 0 40 DDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1cccs1 224156938 JGJXLINBNKHFOC-UHFFFAOYSA-N 324.431 1.617 0 40 DDAB CN(C)C(=O)COc1nn(C)c2ccc(Br)cc12 226754569 NJVGONQUVZLNRN-UHFFFAOYSA-N 312.167 1.803 0 40 DDAB COc1cncc(O[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 225499660 FTKBIDFCJWIFOV-SECBINFHSA-N 319.283 1.807 0 40 DDAB CCCc1nc(-n2cccc2)sc1C(=O)NCC(=O)OC 49547242 JXFPPMJCCXRDFF-UHFFFAOYSA-N 307.375 1.789 0 40 DDAB CCOC[C@H]1CC2(CCN(C(=O)c3ncccn3)CC2)CO1 96105941 UZMZVVFGPQDFDD-CYBMUJFWSA-N 305.378 1.524 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccoc1)CCC2 96059561 LIIFLOSHYVDJAZ-UHFFFAOYSA-N 302.378 1.304 0 40 DDAB c1cc(CN2CCc3ncc(CN4CCOCC4)n3CC2)co1 96196902 FJBMMDQOLWNOJJ-UHFFFAOYSA-N 316.405 1.367 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)CCO1 529891952 CPHNCXRWXHXNAK-ZDUSSCGKSA-N 303.362 1.451 0 40 DDAB C[C@](Br)([C@@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521228 XINQKLGZTGJKMZ-VHSXEESVSA-N 308.197 1.458 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccc(C)o3)CC2)C1=O 96071152 CHFSKWITINXTGG-UHFFFAOYSA-N 320.389 1.689 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)Cc1ccc3c(c1)CCO3)CC2 97198653 BZYSOEZHMWFKAP-CQSZACIVSA-N 312.373 1.195 0 40 DDAB COC(=O)c1ncn(CC(=O)c2ccccc2)c1C(=O)OC 98211150 KSPHSFZDBRJICB-UHFFFAOYSA-N 302.286 1.339 0 40 DDAB C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN([C@@H]1CCOC1)CC2 96187417 KOJMXNNWQJMJLY-NWDGAFQWSA-N 304.394 1.181 0 40 DDAB CCN(Cc1ccoc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F 96483149 YWRXESSYERUUFZ-SECBINFHSA-N 321.299 1.878 0 40 DDAB O[C@@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 96200101 JJTPRODAQSSKMX-JKSUJKDBSA-N 312.369 1.988 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccncc1 96060560 FTRPQXLLEGYUNO-MRXNPFEDSA-N 313.405 1.829 0 40 DDAB COC(=O)CCN1CCN(C(=O)Cc2cccs2)[C@@H](C)C1 96491175 WHVBHGSFOYPNFZ-LBPRGKRZSA-N 310.419 1.386 0 40 DDAB Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2)cc1 244418666 YSGXAEXMIDYNIP-UHFFFAOYSA-N 318.398 1.590 0 40 DDAB COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257240235 HSRBPTFOCSUIDB-IIAWOOMASA-N 322.380 1.552 0 40 DDAB Cc1nccc([C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)n1 257253553 JZIXSUPMOUKEHO-CQSZACIVSA-N 316.405 1.504 0 40 DDAB Cc1ccc(-n2nc(C(=O)O)c(N3CCOCC3)n2)cc1C 256046154 DDERJBSLNVWKHQ-UHFFFAOYSA-N 302.334 1.419 0 40 DDAB COc1cccc(F)c1CN1CC[C@H](O)[C@@H](NC(C)=O)CC1 257335297 YJODGPVXKHEWFX-GJZGRUSLSA-N 310.369 1.296 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257326953 WZGABAXAVQYGBY-GFCCVEGCSA-N 308.345 1.686 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257210110 BTEVPVMWHQDUEA-UMVBOHGHSA-N 317.345 1.387 0 40 DDAB Cc1cnccc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257245414 IPJJAGSDYHPYET-MRXNPFEDSA-N 314.389 1.719 0 40 DDAB CN1C(=O)CCc2cc(NS(=O)(=O)c3cnn(C)c3)ccc21 96103554 LWRXXIQPQYYXCX-UHFFFAOYSA-N 320.374 1.130 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](N2CCCC2)C1 585182249 NSUBFLZWYRYGCZ-IAGOWNOFSA-N 313.401 1.378 0 40 DDAB CC(C)N1CCC(C(=O)N2CCC[C@@]3(CCC(=O)O3)C2)CC1 585283847 PFDPZHKCNZZXRT-QGZVFWFLSA-N 308.422 1.805 0 40 DDAB CCCN1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 585101543 FDADAFNVQLNLSE-HNNXBMFYSA-N 314.401 1.218 0 40 DDAB CCCNC(=O)CN(C)C(=O)c1ccc2c(c1)nnn2CC 47872864 IKPZQUGGEYBZCK-UHFFFAOYSA-N 303.366 1.049 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccccc1SC 48902981 GIYTWZLSZNRJGV-UHFFFAOYSA-N 302.421 1.629 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CC[C@H]2CCCC[C@@H]2C1 55077525 JMZJFNZJLQQISL-CHWSQXEVSA-N 303.410 1.946 0 40 DDAB c1ccc(-c2noc(CN3CCC[C@@H]3Cn3cccn3)n2)nc1 69626726 HGKQVIXAYUTOOC-CYBMUJFWSA-N 310.361 1.993 0 40 DDAB CC(C)C(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O 85467631 SGPJGQGZKNAAOP-AWEZNQCLSA-N 307.369 1.534 0 40 DDAB Cc1cnc(OC2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc1 655257762 AVXKBCWJQSIGFU-AWEZNQCLSA-N 305.378 1.724 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89834992 NRTDYHYIYVSCDA-ROUUACIJSA-N 323.396 1.807 0 40 DDAB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)cc1OC 5067084 HYRCYYCLHCGDCJ-ZWNOBZJWSA-N 303.318 1.115 0 40 DDAB O=C(NCCCc1ccccc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 5946859 LNMLOULAJQASAY-BARDWOONSA-N 301.342 1.390 0 40 DDAB Cc1nc(C2CCC2)cc(N2CCN(S(C)(=O)=O)CC2)n1 1888860519 RVJJVCBGCOTLAD-UHFFFAOYSA-N 310.423 1.134 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H](C)c1ccco1 25261136 UEFXCHSRZMXBHV-MRVPVSSYSA-N 301.302 1.919 0 40 DDAB COc1cccc(C(=O)N2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c1 2037985315 FIMVKMJEXXQPQX-ZFWWWQNUSA-N 318.373 1.015 0 40 DDAB O=C(C1CC(F)(F)C1)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 1074209051 RWTKQPSEWHRRMF-KBPBESRZSA-N 314.376 1.743 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1ccsc1 8863555 DBIGTFZRSFBGMC-CYBMUJFWSA-N 309.435 1.526 0 40 DDAB CC(=O)N1CCc2c(nnn2C)[C@@H]1COCc1cccc(C)n1 2055750529 ASMQDEYYKOQOPL-HNNXBMFYSA-N 315.377 1.181 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1ccc(C)c(F)c1 225633107 NDBFLQMJDIQWET-DZGCQCFKSA-N 323.364 1.856 0 40 DDAB CC(=O)NCC(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 585408874 KPDUJTCYEULKKA-MRXNPFEDSA-N 312.373 1.030 0 40 DDAB O=C(NCN1CCN(c2ccc(F)cc2)CC1)c1cccnc1 19720179 CHJYOKPDIZIAGK-UHFFFAOYSA-N 314.364 1.730 0 40 DDAB O=C(O)[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 20019535 RKDUXLDGFOBWQQ-MRVPVSSYSA-N 303.236 1.889 0 40 DDAB CC(=O)N1CCCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 30995104 UHNNNVBVYGDFED-UHFFFAOYSA-N 319.361 1.179 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 31178253 CEHSVWAAICFXOW-CQSZACIVSA-N 302.305 1.728 0 40 DDAB COc1ccc([C@H](O)CNC(=O)NCc2csc(C)n2)cc1 45343155 VNIDYTDMSYKDIH-CQSZACIVSA-N 321.402 1.993 0 40 DDAB OCCN(CCO)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 1684161 BZDKDPNTSCHRFC-UHFFFAOYSA-N 304.177 1.656 0 40 DDAB CCC(=O)c1ccc(OCC(=O)N[C@H]2CCCCNC2=O)cc1 40513571 CKUJUASOBJVJIY-AWEZNQCLSA-N 318.373 1.443 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 4614495 DZWMBXNPBAFQCI-RQJABVFESA-N 321.329 1.521 0 40 DDAB Cc1ccccc1Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 226691 DEDDPQPYPOGMRX-UHFFFAOYSA-N 318.764 1.444 0 40 DDAB biogenic COCCNC(=O)CN1C(=O)[C@H](C(C)C)Oc2ccccc21 4970694 XAPZQNAGQZQZNC-HNNXBMFYSA-N 306.362 1.199 0 40 DDAB Cc1ccc([C@]2(C)NC(=S)N(NC(N)=S)C2=S)cc1 6487856 OLLKVWNYRQLLGO-LBPRGKRZSA-N 310.473 1.476 0 40 DDAB CCCCn1nc(C(=O)NCc2ccc(OC)cc2)ccc1=O 11781528 QVZLVTCFOANRJV-UHFFFAOYSA-N 315.373 1.982 0 40 DDAB C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C[C@@H](C)O1 29505060 RSZAIPMZWVZADS-NXEZZACHSA-N 304.346 1.143 0 40 DDAB Cc1cc(NC(=O)c2c(C(=O)O)cnn2C)nn1CC(F)F 20617036 IBNCRFPLJVOLMA-UHFFFAOYSA-N 313.264 1.141 0 40 DDAB COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(C)C2=O)cc1 101392985 JJJKWSKJTXALOK-GVGJPDCJSA-N 302.286 1.229 0 40 DDAB CN(Cc1ccc(F)c2cccnc12)[C@H]1CCS(=O)(=O)C1 29714634 XEFOSPRZRPBEQW-LBPRGKRZSA-N 308.378 1.993 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 21267648 XBXGPACESLDOGY-WDEREUQCSA-N 321.352 1.898 0 40 DDAB CC(=O)N[C@H](CC(=O)N1CCC(C(N)=O)CC1)c1cccs1 21334702 JJGMDXRVOUZSNH-GFCCVEGCSA-N 323.418 1.039 0 40 DDAB CC[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1nc[nH]n1 75145601 RBKQFLLSXHAZNC-JQWIXIFHSA-N 307.398 1.457 0 40 DDAB Cc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)nc(N)n1 52488337 KKMOHQWTUNTVOR-UHFFFAOYSA-N 315.377 1.539 0 40 DDAB COc1cc(OC)c(OC)cc1/C=C1\NC(=S)N(C)C1=O 9189132 IWALMAXORHJUGI-UITAMQMPSA-N 308.359 1.400 0 40 DDAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCNC1=O 21605418 QRVONNIXMGNKHD-SSDOTTSWSA-N 307.335 1.097 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 52831985 AFFHXYSLNHYTJD-AWEZNQCLSA-N 323.412 1.836 0 40 DDAB CN(C)c1ccc(CNS(=O)(=O)Cc2ccccc2)cn1 46812825 CHZFSCMWTPRJQG-UHFFFAOYSA-N 305.403 1.767 0 40 DDAB COc1cc(CNC(=O)NCc2ccnc(N(C)C)c2)ccn1 47612467 BBXXEJUMHJRMSP-UHFFFAOYSA-N 315.377 1.551 0 40 DDAB COC(=O)c1cn(C)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 100253199 JROAJZPUHASTJO-UHFFFAOYSA-N 313.313 1.471 0 40 DDAB Cc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cc1F 42542161 BHJIMPKELDGGKG-UHFFFAOYSA-N 307.413 1.890 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1 23625390 XKYNXIHPDDJQQT-VIFPVBQESA-N 306.347 1.427 0 40 DDAB CN(Cc1ccc(F)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O 24045800 KJHAUCWHEORWGT-INIZCTEOSA-N 305.353 1.936 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C1CCCCC1 24690085 RPMIVUMDQVVYQL-CYBMUJFWSA-N 302.440 1.497 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(N)(=O)=O)c1 55403937 PKZSWNQXBLLEHW-NSHDSACASA-N 316.382 1.925 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)nc2)C[C@H](C)O1 3253797 VLLVNGPNOIUSDE-UWVGGRQHSA-N 312.753 1.528 0 40 DDAB COc1c(-c2noc(CCC(=O)O)n2)cc2c(c1OC)OCO2 34929377 LCWZONJAFPAILG-UHFFFAOYSA-N 322.273 1.500 0 40 DDAB CC(C)[C@@H](C)NC(=O)CNc1cccc(-c2nnnn2C)c1 25705813 WMXMXEBCTHLVCS-LLVKDONJSA-N 302.382 1.450 0 40 DDAB O=C(CNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)NC1CC1 57137863 BRHFUSNGZMRUBJ-HNNXBMFYSA-N 315.417 1.293 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H](C)CO1 108389242 KKMDUOAWZZDGCG-IUCAKERBSA-N 324.324 1.898 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 110618288 VSIHOIRCGNTOAP-CAOSSQGBSA-N 307.438 1.681 0 40 DDAB CN1C[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O 58159720 IFFZNXMQWVECDI-CYBMUJFWSA-N 308.403 1.074 0 40 DDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCSCC1 44971771 SBEGVDZKZWJLIN-LBPRGKRZSA-N 307.423 1.204 0 40 DDAB Cc1noc(CCCC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)n1 44939444 GLHWTVOQAWQKJU-YNEHKIRRSA-N 324.425 1.315 0 40 DDAB O=C(NCc1ccccc1Cn1cncn1)NC[C@@H]1CCCO1 44945552 IJUYABRTQDTNJJ-HNNXBMFYSA-N 315.377 1.305 0 40 DDAB CC(=O)Nc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1 3341198 PELSRJCRYALSPI-UHFFFAOYSA-N 310.317 1.643 0 40 DDAB NC(=O)[C@@H]1CCCCN1CC(=O)N[C@H]1CCCc2ccccc21 36390265 BKKYCAHZTOXMIZ-HOTGVXAUSA-N 315.417 1.520 0 40 DDAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)O 22248389 CUQXQRJUSOIBJN-UHFFFAOYSA-N 321.782 1.834 0 40 DDAB CC(C)[C@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 3536416 HBAHQDNVCIOCPM-NSHDSACASA-N 316.357 1.846 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(CC3(O)CCCCC3)CCO2)n1 69351301 USOVMBDRPBDOKQ-INIZCTEOSA-N 307.438 1.896 0 40 DDAB C[C@@H](N)CCNS(=O)(=O)c1sccc1Br 63171349 XUNVZUORMWQXEN-ZCFIWIBFSA-N 313.242 1.526 0 40 DDAB COc1ccc(CNCC2CCN(CCO)CC2)c(OC)c1 69415295 WXJFANLPHVTIIV-UHFFFAOYSA-N 308.422 1.498 0 40 DDAB O=C1c2ccccc2[C@@H](O)N1CCN1C(=O)c2ccccc2[C@H]1O 13945686 WCJFLPQXCFNBSY-NVXWUHKLSA-N 324.336 1.280 0 40 DDAB Cc1nc(C)c(C(=O)NCCNC(=O)Cc2ccccc2)s1 65406059 QSCNIEKQFUUKQP-UHFFFAOYSA-N 317.414 1.849 0 40 DDAB COc1ccccc1N1CCN(c2ccc3nnc(C)n3n2)CC1 65500910 CDOCBIFEXQSLPX-UHFFFAOYSA-N 324.388 1.768 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccc(-n3ccnc3)nc2)c(=O)[nH]1 65577883 RWQWBRGJWLQWBV-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(c2ccccc2OC)CC1 65511833 UYELIFITHBCMEL-AWEZNQCLSA-N 305.422 1.732 0 40 DDAB O=c1n(CN2CCc3sccc3C2)nc2n1CCCCC2 14138233 TUKUCMIFEINAST-UHFFFAOYSA-N 304.419 1.849 0 40 DDAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1C(N)=O 4517020 IKEBKCPNOMVRNN-ZCFIWIBFSA-N 323.403 1.339 0 40 DDAB CN(Cc1cc(Br)cs1)C[C@](C)(O)C(=O)O 70714485 CDZAINHWCRJWEG-JTQLQIEISA-N 308.197 1.778 0 40 DDAB CCc1ccc([C@@H](C)NC(=O)CN(CC(N)=O)C(C)C)cc1 8532808 NIIMKRLGFXKSBZ-CYBMUJFWSA-N 305.422 1.622 0 40 DDAB NC(=O)c1ccc(=O)n(Cc2csc(-c3ccco3)n2)n1 69620481 GSOVIIOBSMBRDG-UHFFFAOYSA-N 302.315 1.107 0 40 DDAB CC(C)CNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 69665812 GYMJBIIGJFWQIY-UHFFFAOYSA-N 314.407 1.888 0 40 DDAB COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6879762 YLBYNLWXIPZBIT-JTQLQIEISA-N 308.359 1.021 0 40 DDAB Cc1cc(C)n2cc(CN3CCO[C@@H](CN(C)C)C3)nc2n1 69739193 BWMQLAXSODCFIG-HNNXBMFYSA-N 303.410 1.109 0 40 DDAB Cc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH]c(=O)c1C 67172882 MZNMATHQSAVTDS-LLVKDONJSA-N 308.382 1.490 0 40 DDAB Cc1c(NC(=O)Cn2cnnn2)cccc1OC1CCCC1 69817371 DNWKRBZISOICHB-UHFFFAOYSA-N 301.350 1.942 0 40 DDAB c1ccc(-n2nnc3c(NCCn4cccn4)ncnc32)cc1 69849395 MJOWHWLPQUOYDQ-UHFFFAOYSA-N 306.333 1.519 0 40 DDAB C[C@H](C(=O)NCc1ccc(F)cc1)N(C)CCN1CCOCC1 69876852 VQFVZMMBUBOJFH-CQSZACIVSA-N 323.412 1.094 0 40 DDAB Cc1cnc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C2CC2)s1 80445447 DMOQZQMYFFEQHR-GFCCVEGCSA-N 322.434 1.810 0 40 DDAB CC(C)c1nnc2n1CCN(Cc1nc3ccccc3c(=O)[nH]1)C2 69951267 WMGDOQIURVLIPC-UHFFFAOYSA-N 324.388 1.654 0 40 DDAB O=C(N[C@H]1CCN(CC2CCCC2)C1)N1CCC[C@H](CO)C1 80545705 YQOILBDJBCIBTJ-HOTGVXAUSA-N 309.454 1.665 0 40 DDAB CNS(=O)(=O)c1cc(NC(=O)c2ccccn2)ccc1C 7979009 GZGHVDBQMXIYBJ-UHFFFAOYSA-N 305.359 1.550 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 8990904 JKFHJPPARVRCSH-KCJUWKMLSA-N 312.372 1.069 0 40 DDAB O=C(CCSc1ccc2nncn2n1)Nc1cccnc1 71285048 PSSCDJJLWKJTMA-UHFFFAOYSA-N 300.347 1.640 0 40 DDAB COCCNC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1=O 71909613 YBHHULRUGROJPR-ZDUSSCGKSA-N 309.341 1.267 0 40 DDAB CCN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 96301204 OBSSDVAFBMTYPW-AWEZNQCLSA-N 321.808 1.609 0 40 DDAB CCN1CCN(C(=O)NCc2cccc(OC)c2OC)CC1 72003111 LDUNAEWPESOSPE-UHFFFAOYSA-N 307.394 1.551 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1Cc3ccccc3O1)C2 71860191 BJWQAHYFQWBLDI-INIZCTEOSA-N 324.384 1.431 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)CCC(=O)N2 9726695 SXYSTIDBNJSNIH-JTQLQIEISA-N 303.362 1.216 0 40 DDAB Nc1ncc(C(=O)N2CCC[C@@H](N)CC2)c(-c2ccccc2)n1 72161176 YRSFNEPECLRHSC-CYBMUJFWSA-N 311.389 1.679 0 40 DDAB Cc1cc(NC(=O)[C@H](C)NC[C@H]2CCCn3ccnc32)no1 84117245 JQHTWHMXQJGLHI-NWDGAFQWSA-N 303.366 1.674 0 40 DDAB COc1cc(CNc2cc(N3CCC[C@H]3CO)ncn2)ccn1 72276051 MDCMPTRRQGJBRZ-ZDUSSCGKSA-N 315.377 1.453 0 40 DDAB O=C(CCNC(=O)c1cncc(F)c1)NCc1ccccn1 97097866 IBJYWIAYZQGKLF-UHFFFAOYSA-N 302.309 1.052 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)nn1C(C)(C)C 97197678 NBBPNIBAFPWVJX-GFCCVEGCSA-N 301.394 1.888 0 40 DDAB O=c1[nH]c2ccccc2nc1Cn1nnc2ccccc2c1=O 97201371 NQWFFQKWAJEHHK-UHFFFAOYSA-N 305.297 1.076 0 40 DDAB CN(Cc1csc(CS(C)(=O)=O)n1)Cc1ccco1 75592614 JMOMEEQTMKSRKR-UHFFFAOYSA-N 300.405 1.913 0 40 DDAB Cc1ccc([C@H]2C[C@H](C)CCN2CC(=O)N2CCNC2=O)o1 72895852 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DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1N(C)C 78894931 BYJSRTTTZYKDOK-TZMCWYRMSA-N 302.378 1.547 0 40 DDAB CCN(CC)S(=O)(=O)CCN[C@H]1CCCc2c1cnn2C 95967781 UGANJJVWDMYTQL-ZDUSSCGKSA-N 314.455 1.059 0 40 DDAB CCC(C)(C)NC(=O)CN1CCC[C@@H]1C(=O)Nc1nccs1 74314622 WSRGUAROOVYYBQ-LLVKDONJSA-N 324.450 1.851 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)nn1 78902316 OTZLYSRITZYOLH-LLVKDONJSA-N 301.350 1.537 0 40 DDAB Cc1cc(NC(=O)CN2CCN(C)C[C@@H]2C)n(C(C)(C)C)n1 89591609 KEFBTSPSDQZZQC-ZDUSSCGKSA-N 307.442 1.521 0 40 DDAB COC[C@@H]1C[C@@H]2OCCN(C(=O)NCc3cccnc3)[C@H]2C1 306130751 JOKXRLYJOLXPMO-KKUMJFAQSA-N 305.378 1.417 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306123423 AMTMPSPQVGUNSG-AWEZNQCLSA-N 322.430 1.579 0 40 DDAB CCc1cccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c1 24087731 JIWMYHAFPHOJGX-GFCCVEGCSA-N 306.362 1.319 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc23)C1 77140291 QBJSSMJDYCXIHK-MNOVXSKESA-N 321.402 1.649 0 40 DDAB CNc1nccc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 72368570 SIUZSQQRPMMNPK-CYBMUJFWSA-N 300.366 1.619 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)OCC)N1C(=O)OCC 71255776 LGQYQQMQUXJWSU-SNVBAGLBSA-N 302.327 1.544 0 40 DDAB Cc1ccc(Cl)cc1N1N[C@H](O[C@H](C)C(=O)O)C=CC1=O 32918624 OEMVQYZSTAUHOE-BXKDBHETSA-N 310.737 1.872 0 40 DDAB NC(=O)c1cccc(-c2nccc([C@@H]3CCCN3CCO)n2)c1 72355776 DUIRQDLLRMISAS-HNNXBMFYSA-N 312.373 1.372 0 40 DDAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)c1 37840063 KJYHYJZGCTYANZ-AWEZNQCLSA-N 307.375 1.944 0 40 DDAB CCOC(=O)C1CCN(c2nc(N)c(C(=O)OC)s2)CC1 32951708 QAAMFCOLRBUDLX-UHFFFAOYSA-N 313.379 1.291 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncc(Cl)cc1Cl 185534106 DZXDGBPNBNWYJQ-KCJUWKMLSA-N 305.161 1.497 0 40 DDAB O=C(/C=C/c1ccccc1)Nc1cnc(N2CCOCC2)nc1 65225040 VCBQNNLRAXBLMZ-VOTSOKGWSA-N 310.357 1.965 0 40 DDAB Cc1cnn(CCC(=O)NCC[S@](=O)c2ccccc2)c1 78914712 SOJIGWFSIBFJKZ-OAQYLSRUSA-N 305.403 1.506 0 40 DDAB CCN1CCN(C(=O)[C@@]2(C)Sc3ccccc3NC2=O)CC1 40773896 VAYPIEBYRAYGII-INIZCTEOSA-N 319.430 1.654 0 40 DDAB O=C(NCCCn1ccnn1)N1CCC([C@@H]2CCCO2)CC1 187722321 IRWXCFOXRIAQIO-AWEZNQCLSA-N 307.398 1.269 0 40 DDAB Cc1cccc(N2CCO[C@@H](C(=O)Nc3nncs3)C2)c1 72366479 OKJMLSZWBNQUTJ-GFCCVEGCSA-N 304.375 1.690 0 40 DDAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1nccnc1N 47282037 NFYLDXDFDGFHNM-NSHDSACASA-N 314.393 1.818 0 40 DDAB CN1C(=O)CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 49649538 HPJMVSNQLNLAPZ-UHFFFAOYSA-N 320.370 1.667 0 40 DDAB Cc1noc(CCCNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)n1 225520324 ICEUQXUBNIXXGP-LLVKDONJSA-N 303.366 1.263 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)n1 89893629 JDHKLNSMLRVMOR-JTQLQIEISA-N 318.381 1.541 0 40 DDAB Cc1n[nH]c(-c2ccc(C(=O)NC(C)(C)C(=O)N(C)C)cc2)n1 81366249 GUHSNBFJTNBYQH-UHFFFAOYSA-N 315.377 1.377 0 40 DDAB O=C(Cc1noc2ccccc12)NC[C@@H]1CN2CCC[C@H]2CO1 61649803 PVHGWRWUEZIESC-QWHCGFSZSA-N 315.373 1.350 0 40 DDAB O=c1[nH]c(=O)n(Cc2csc(-c3ccoc3)n2)cc1Cl 85252932 LOUAIXPXBCZTBT-UHFFFAOYSA-N 309.734 1.955 0 40 DDAB COc1ccc(=O)n(CC(=O)Nc2sc(C)c(C)c2C)n1 194568764 IMGYHVRYULNORT-UHFFFAOYSA-N 307.375 1.877 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(Cl)c1 96454874 OXYWATLDNJCNSS-GFCCVEGCSA-N 316.810 1.494 0 40 DDAB Cc1ocnc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 96485630 YQLUTLVTCOLWOI-CQSZACIVSA-N 313.357 1.904 0 40 DDAB CCN(CC)C[C@H]1CN(Cc2cnn(C)c2)Cc2nccn2C1 96188278 HPNUCABUQULSCO-INIZCTEOSA-N 316.453 1.590 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)c1ccncc1)CC2 96228074 GQONSALBIMLQKB-UHFFFAOYSA-N 317.389 1.325 0 40 DDAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)n1 96038578 WAXBXLGTWCPBCU-JKSUJKDBSA-N 321.446 1.531 0 40 DDAB Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96206650 PYVPESKMTRKVTF-PBHICJAKSA-N 320.389 1.009 0 40 DDAB CC(C)c1n[nH]c(NC(=O)c2cnn(-c3ccc(F)cc3)n2)n1 96414398 KFGOFMOXDJXPDK-UHFFFAOYSA-N 315.312 1.900 0 40 DDAB Cc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1 96201094 RDCOYTVHMABOON-UHFFFAOYSA-N 312.377 1.749 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCCc2[nH]ncc21 96466462 JJGFERNRNCXFHO-MEBBXXQBSA-N 303.337 1.819 0 40 DDAB O=C(C1CCC1)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 96226641 TXRPGWJBBKUQCY-OAHLLOKOSA-N 322.434 1.536 0 40 DDAB CNC(=O)C[C@H]1C[C@H]2CN(Cc3ccccc3OC)C[C@H]2O1 96220302 DQQJXOOVYPLPTE-SQWLQELKSA-N 304.390 1.421 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96055842 LXFDPOXTHYNUSU-JKSUJKDBSA-N 309.373 1.361 0 40 DDAB Cc1ccc(CN2C[C@@H]3OCCN(CCN(C)C)[C@@H]3C2)s1 96054298 AUNPDQLVULHEMD-CVEARBPZSA-N 309.479 1.503 0 40 DDAB Cc1nnc(SCc2nc(CCc3ccccc3)no2)n1N 96436620 LIMVEVSBDCEHMV-UHFFFAOYSA-N 316.390 1.761 0 40 DDAB CN(C)C(=O)N[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 96185848 WHSRAQUIPPOLBN-RBSFLKMASA-N 304.394 1.085 0 40 DDAB O=C1CN([C@@H]2Cc3ccccc3[C@H]2O)CCN1CC(F)(F)F 253417477 BBSBRHHBEGZYPN-TZMCWYRMSA-N 314.307 1.351 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)COc1ccc(F)cc1 257294787 QVSZOIFIVYLKLY-AWEZNQCLSA-N 319.336 1.836 0 40 DDAB CCN1C(=O)CCc2cc(S(=O)(=O)NCC(C)C)ccc21 257173053 BSCTYGUUNNFIQZ-UHFFFAOYSA-N 310.419 1.920 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257248133 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COc1cccc(COCC(=O)N2CCn3c(C)nnc3C2)c1 69438628 BEUFOBXCKBKRRP-UHFFFAOYSA-N 316.361 1.154 0 40 DDAB Cc1cccc(N(CCC(N)=O)CC(=O)NCC2CCC2)c1 66497787 ZYXVVJSXRAWJOB-UHFFFAOYSA-N 303.406 1.593 0 40 DDAB Cn1c(-c2ccccc2)nn([C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1=S 100021519 KNJBLGDOIPYGAI-VHRBIJSZSA-N 317.370 1.873 0 40 DDAB Nc1ncnc2c1ncn2CCCN1C(=O)c2ccccc2C1=O 1728050 NRQWVXNFUKXDMQ-UHFFFAOYSA-N 322.328 1.095 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(OC)c1 5016138 UIDSGIUXAIIWIH-CYBMUJFWSA-N 315.333 1.534 0 40 DDAB CCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c2n1 12276683 ALXUGBUWQHTQSR-UHFFFAOYSA-N 317.736 1.424 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 12537538 QKDZBNXMIOARHQ-UHFFFAOYSA-N 320.370 1.389 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N1C[C@@H](C)O[C@H](C)C1 12895041 HZLXKGLKRKHWLA-CHWSQXEVSA-N 320.389 1.451 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)c1 15412524 KNRJNUDHYGYNQP-UHFFFAOYSA-N 320.370 1.856 0 40 DDAB CC(=O)Nc1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1 16754259 DEVKZQQCDDKWQS-POHAHGRESA-N 305.315 1.450 0 40 DDAB Cc1cccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)O)C2=O)c1C 16899631 UEVMKVWSABEJEG-CMPLNLGQSA-N 322.386 1.080 0 40 DDAB CC(=O)N1CC[C@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 19748128 DZJCCVRBRUSORA-HNNXBMFYSA-N 312.373 1.738 0 40 DDAB CC(=O)N1CC[C@@H]1c1cc(=NCCc2nccs2)[nH]c(C)n1 607853553 PSROGPCYCPFGLL-CYBMUJFWSA-N 317.418 1.611 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccc(C)c2)C1=O 8156189 LUVYTMCODFQSAO-BZNIZROVSA-N 319.361 1.514 0 40 DDAB COCCN[C@H]1CSC2(C1)CN(C(=O)c1ncccc1C)C2 2056223769 FJSRSLJVVFHPMC-CYBMUJFWSA-N 321.446 1.326 0 40 DDAB O=C(N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1)C1(F)CC1 1565546079 SFFNZDCLBGNQCE-YPMHNXCESA-N 316.380 1.677 0 40 DDAB COC(=O)CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O 6452798 HLISJIZSCIJHOP-JTQLQIEISA-N 303.343 1.308 0 40 DDAB CC(C)N1CC[C@H]2C[C@H](C(=O)NCCN3CCCC3)O[C@H]2C1 2055718079 FTCMBHDZXSERCU-XHSDSOJGSA-N 309.454 1.086 0 40 DDAB C[C@H]1C[C@H](C)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 30921454 HRPDBLQOQLMMBF-STQMWFEESA-N 312.435 1.691 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@H](C)OC[C@H]3C)cnc12 45448669 VMASKRQTMWJIKF-OLZOCXBDSA-N 315.373 1.341 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3C)C[C@]23C=C[C@H]1O3 488189 MCUHIBYSSDHIOM-ATNYBXOESA-N 313.353 1.845 0 40 DDAB biogenic C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@H](C)CO1 45524269 PMGVUFVAQKWCBK-JHJVBQTASA-N 306.362 1.264 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1 16730857 HMGGPPZFOJTBAQ-LLVKDONJSA-N 319.386 1.481 0 40 DDAB Nc1nccnc1C(=O)NCc1cccnc1OC1CCCC1 40515460 OVHUZTPYDVZWIK-UHFFFAOYSA-N 313.361 1.705 0 40 DDAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)c2nccs2)C1=O 40512989 NRWHQTRJCUVKEJ-SNVBAGLBSA-N 317.370 1.920 0 40 DDAB Cc1c(C(=O)NCCCN2CCc3ccccc3C2)cnn1C 32401027 QAQLUEPNBQVDAR-UHFFFAOYSA-N 312.417 1.907 0 40 DDAB CC[C@H](C)N1CN2C(=O)N[C@H]3[C@H]2N(C1)C(=O)N3C1CCCCC1 103521535 PHSZPWDBBSPHRA-IACUBPJLSA-N 321.425 1.763 0 40 DDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2)n1 408255 RRZANZJKOFXDDX-UHFFFAOYSA-N 311.750 1.786 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(c2ccccc2)CCOCC1 32977396 DFNQIKKMHMLENQ-AWEZNQCLSA-N 323.414 1.038 0 40 DDAB O=C(O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100664277 QEVOOOHLWGANKM-IUYSZMJMSA-N 309.321 1.942 0 40 DDAB COCCN1CCN(CCOc2ccc(OC)cc2)C[C@@H]1C 70008328 XROXKFAEOUOLIE-HNNXBMFYSA-N 308.422 1.727 0 40 DDAB C[C@@H](OC[C@@H](O)CNC(=O)Nc1nncs1)c1ccccc1 46871273 IDFFXMGZICGFMT-PWSUYJOCSA-N 322.390 1.798 0 40 DDAB O=C(Cn1nnc2ccccc21)NCCSC(F)(F)F 47387494 MSXDADSFEOKSJM-UHFFFAOYSA-N 304.297 1.801 0 40 DDAB C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)[C@@H]1CCCO1 23196540 SPVATIGUPWSSFL-FZMZJTMJSA-N 301.346 1.080 0 40 DDAB Cn1ccc(NS(=O)(=O)c2ccc(Br)cc2)n1 12535992 ZSHFDCLUEJPVCR-UHFFFAOYSA-N 316.180 1.983 0 40 DDAB COCCOc1ncccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 69322294 NARIZGMUNACPEW-LSDHHAIUSA-N 320.389 1.890 0 40 DDAB NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 54551199 GEUZTBGPWKHMRZ-LSDHHAIUSA-N 324.336 1.111 0 40 DDAB CC1CCN(C(=O)CN2CCN(c3ccc(O)cc3)CC2)CC1 54529961 JJKWHIBKUBNJOB-UHFFFAOYSA-N 317.433 1.773 0 40 DDAB CCc1nnsc1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 43056320 MAALPWLVIWXNQC-NSHDSACASA-N 304.375 1.596 0 40 DDAB CCCOC(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 55008589 OKYJIHBVLIQLCT-INIZCTEOSA-N 316.401 1.298 0 40 DDAB CCOC(=O)c1c[nH]c2nc(NCc3ccccc3)nn2c1=O 100641555 OMUPFVFQLVBZPU-UHFFFAOYSA-N 313.317 1.206 0 40 DDAB Cc1nc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)nc2ccccc12 106840921 ZYRNBXUMLSHTLE-KBPBESRZSA-N 314.433 1.825 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C(=O)O)C1 43701427 RUDBRVUIELGVMU-SKDRFNHKSA-N 313.737 1.419 0 40 DDAB COc1ccc(Cl)cc1CN1CCN(CCC(=O)O)CC1 35687141 LVAGOSTWMWWPNA-UHFFFAOYSA-N 312.797 1.941 0 40 DDAB Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)no1 12688764 UBBNWZBUZCKHEC-UHFFFAOYSA-N 315.373 1.820 0 40 DDAB CCCn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c2ccccc21 27396047 PHPSEWWAOUYHOX-ZDUSSCGKSA-N 317.389 1.508 0 40 DDAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)on1 27380931 KSQATGBMKQAUPI-JTQLQIEISA-N 323.374 1.464 0 40 DDAB NC(=O)[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccccc1 10268883 ZLOLREXCNRVDBV-OAHLLOKOSA-N 317.389 1.026 0 40 DDAB Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)on1 44943726 RMUXQVJMHYVLTG-LBPRGKRZSA-N 316.361 1.533 0 40 DDAB COCCn1nc(C(=O)NCc2ccc(C)s2)ccc1=O 44954560 DETMXEHNBXIPBR-UHFFFAOYSA-N 307.375 1.190 0 40 DDAB CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)ccc1F 58363548 GOWMYRYYWPGONI-GFCCVEGCSA-N 305.353 1.751 0 40 DDAB Cc1nn(C[C@H](O)c2cccc(F)c2)c(=O)c2noc(C)c12 58342842 RNKRIAQJHKZJOS-LBPRGKRZSA-N 303.293 1.874 0 40 DDAB CC(C)(C)NC(=O)CN1CCN(C(=O)Cc2cccs2)CC1 12780539 ZKZLKNPFENXKST-UHFFFAOYSA-N 323.462 1.350 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1cccc(C(F)(F)F)c1=O 48265359 XGYWUEDKPYUKDJ-UHFFFAOYSA-N 319.283 1.491 0 40 DDAB COc1ccc(C)cc1NC(=O)CN1CCN(C(C)=O)CC1 36389667 BLGMHBXNYQLPAR-UHFFFAOYSA-N 305.378 1.106 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cccc(OC)c2O)CC1 3401028 DPQNPAFATFSWAD-UHFFFAOYSA-N 308.334 1.315 0 40 DDAB O=C(CN1CCC[C@@H](C2OCCO2)C1)NCc1ccccc1 69415059 AHWQAJQCSHEAPZ-OAHLLOKOSA-N 304.390 1.388 0 40 DDAB CCN(C(=O)CN1C(=O)c2cccnc2C1=O)C1CCCCC1 69451383 OCCAZZYXMUWDCU-UHFFFAOYSA-N 315.373 1.859 0 40 DDAB CC(=O)Nc1cccc(-n2nnnc2SCC(C)(C)O)c1 69655840 LUGHYMASCZZBBZ-UHFFFAOYSA-N 307.379 1.484 0 40 DDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71287108 QWUIFOKBXKBJLT-VXGBXAGGSA-N 320.345 1.350 0 40 DDAB Cn1nnc(-c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)cc2)n1 71285028 NDOMSNUSYAYMSP-QWRGUYRKSA-N 315.333 1.172 0 40 DDAB Cc1csc(CNC(=O)N2CCC[C@H](c3nncn3C)C2)n1 89705608 PJUIHZPZVHKLRK-NSHDSACASA-N 320.422 1.669 0 40 DDAB Cc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)o1 69738573 WQUWIVYKTLXKNY-HNNXBMFYSA-N 302.378 1.229 0 40 DDAB O=C1NC[C@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)N1 89768221 UHDIBFDDZGVUKV-SNVBAGLBSA-N 314.172 1.560 0 40 DDAB Cc1nc2sccn2c1CNC[C@@H]1CN(C2CC2)CCO1 69876072 RSQMREFWSZOWFF-CYBMUJFWSA-N 306.435 1.657 0 40 DDAB Cc1cnn(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 65532066 CAYSEBVQEDDYHK-CYBMUJFWSA-N 319.386 1.226 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CN2CCC[C@@H](C(F)(F)F)C2)C1=O 14197098 YOTPVJGOCUUASL-ZWNOBZJWSA-N 319.327 1.939 0 40 DDAB Cc1ccccc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 14124921 SWXXABQOANGAGU-KRWDZBQOSA-N 323.396 1.846 0 40 DDAB CC(C)CNC(=O)CSc1nnc(-c2cccs2)n1N 4536714 ALXXIQIUVPVSOD-UHFFFAOYSA-N 311.436 1.585 0 40 DDAB CN1CC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O 14246794 NSJBXEAILVVCDT-ZDUSSCGKSA-N 314.341 1.474 0 40 DDAB O=C(O)c1nccnc1C(=O)N1CCc2c([nH]c3ccccc23)C1 70666284 GCQNXSSRIHIRLH-UHFFFAOYSA-N 322.324 1.855 0 40 DDAB biogenic CN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 15502347 ZJJNLXQDJXKCKQ-MRXNPFEDSA-N 311.341 1.747 0 40 DDAB Nc1nnc(SCC(=O)c2ccc3c(c2)OCCO3)s1 7535350 VCNYBDFOIIQAOR-UHFFFAOYSA-N 309.372 1.867 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=S)NC[C@H]2CCCO2)cc1 7636987 MGSQKKAWVSTQJA-CQSZACIVSA-N 321.446 1.919 0 40 DDAB COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCc1cccnc1 96012587 OLFSOALEWLBSQF-QWHCGFSZSA-N 312.391 1.233 0 40 DDAB CC(C)CCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 67125809 YVTTZQWFWLOADF-DYEKYZERSA-N 313.467 1.875 0 40 DDAB CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1F)C(N)=O 71908336 BCXPWJVBFTWWRB-BXKDBHETSA-N 302.371 1.145 0 40 DDAB CC[C@H](CC(=O)NCCCS(N)(=O)=O)c1ccc(C)cc1 76018420 HIKQUGHQXKFODH-CYBMUJFWSA-N 312.435 1.674 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269155 SVZMNFCBKCABSR-NEPJUHHUSA-N 324.343 1.013 0 40 DDAB COc1c([C@H]2CCCN2Cc2nnnn2C2CC2)c(C)nn1C 72253746 ZVXHQONSUOEETI-GFCCVEGCSA-N 317.397 1.396 0 40 DDAB CC(C)c1nnc(CNC(=O)c2cc(N(C)C)ccn2)n1C 97114695 CYTBRADCFSXKEI-UHFFFAOYSA-N 302.382 1.330 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1cn(Cc2ccccc2)nn1 97197696 VOGHWATUVVHIAM-CQSZACIVSA-N 322.372 1.268 0 40 DDAB COC(=O)c1cc(OC(=O)c2cc(OC)cc(OC)c2)nn1C 408563699 WRALCZJEGGUYGY-UHFFFAOYSA-N 320.301 1.443 0 40 DDAB O=C(CN1CCC(c2cn[nH]c2)CC1)NCCc1ccccc1 97203518 RIQHCYXEIXCNPK-UHFFFAOYSA-N 312.417 1.948 0 40 DDAB COc1cccc([C@@H](C)N2CCC[C@H](NS(C)(=O)=O)C2)c1 78971025 AEBHLHGIOSNDKQ-OCCSQVGLSA-N 312.435 1.770 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n[nH]1 78900949 ZYHMKWOSNWWVBE-NWDGAFQWSA-N 302.378 1.571 0 40 DDAB CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(N)=O 79107208 MSKFPPTZXYYVPV-GFCCVEGCSA-N 307.350 1.479 0 40 DDAB CC(C)C[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(=O)O 95427715 VSLDQOCMMMXIOP-YPMHNXCESA-N 312.410 1.687 0 40 DDAB C[C@H]1CN(C(=O)NCc2ccn(C)c2)CCN1CC(F)(F)F 95447333 HTQYPJNPDQKPDU-NSHDSACASA-N 318.343 1.803 0 40 DDAB COc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cn1 95468415 MIIMQJNUHSCWOZ-NSHDSACASA-N 302.338 1.967 0 40 DDAB CS[C@H]1CN(Cc2nc(-c3cccnc3)no2)C[C@@H]1N(C)C 95446844 CMPRTNGYBLSCFH-STQMWFEESA-N 319.434 1.609 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(CC(F)(F)F)C[C@H]2C)CC1 84714404 KPFIYMRFFIJJQL-YPMHNXCESA-N 307.360 1.423 0 40 DDAB CCCNc1nnc(S(=O)(=O)Cc2ccn(C)n2)s1 95985729 ZGTVLFUIMWERBP-UHFFFAOYSA-N 301.397 1.067 0 40 DDAB CC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O 95985346 AEEMHPMZOPPQAZ-KCJUWKMLSA-N 302.371 1.144 0 40 DDAB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 409285490 WTUKOSVIUWMFOL-VWPFQQQWSA-N 315.325 1.537 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCCC[C@H]1C(=O)O 95970333 YACLWKPZOAWDGX-BFHYXJOUSA-N 313.394 1.722 0 40 DDAB CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1CC(F)F 95980464 VFFFUZQFXLCHLU-CQSZACIVSA-N 311.376 1.947 0 40 DDAB C[C@H](c1ccccn1)N(C)C(=O)CNC(=O)c1cccc(O)c1 95945653 DEJZWFWXWLQMHX-GFCCVEGCSA-N 313.357 1.737 0 40 DDAB C[C@H](Cn1cc(Br)cn1)N[C@H]1CCC(=O)N(C)C1 95968254 ZYBBHLWTSJEMRL-KOLCDFICSA-N 315.215 1.245 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CO 95998446 UZNJPMMYXMHBOV-OAHLLOKOSA-N 315.373 1.381 0 40 DDAB COC(=O)N1CC(NC(=O)c2sc(C(C)(C)C)nc2C)C1 89558826 KCXUBRPTSLXTBZ-UHFFFAOYSA-N 311.407 1.929 0 40 DDAB O=C([C@@H]1CCOC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306142843 XMDLJVXHFWHVFX-ZIAGYGMSSA-N 318.373 1.114 0 40 DDAB O=C(NCCn1cccn1)N1CCCN(c2ccccc2)CC1 172038073 ZPCQATKQGPCZDN-UHFFFAOYSA-N 313.405 1.805 0 40 DDAB Cc1ccc(O)c(CN2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)n1 547696166 RNCMRTKBZBDLFF-CYBMUJFWSA-N 324.388 1.247 0 40 DDAB O=C(CCCn1cnnn1)NCCc1c[nH]c2ccc(F)cc12 524732631 SMUMDAFPUQWBJE-UHFFFAOYSA-N 316.340 1.433 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)CCc3cscn3)CC2)S1 73119583 ACXMUWDADMHWRW-NSHDSACASA-N 324.475 1.711 0 40 DDAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1C 79481873 WMLGHZAQYJPQCP-SNVBAGLBSA-N 306.318 1.833 0 40 DDAB C[C@H](O)[C@@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)O 218769456 JYXRSYBIXHWGRE-BLLLJJGKSA-N 315.373 1.185 0 40 DDAB Cn1c(O)nc2cc(C(=O)N3CCc4ccnc(O)c4C3)ccc21 517067043 KQKJRRAKHXYLGT-UHFFFAOYSA-N 324.340 1.578 0 40 DDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC[C@H]1CCCO1 32315700 FLZQAHOFNBANKE-SNVBAGLBSA-N 321.402 1.902 0 40 DDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)C2CCCC2)cc1 77261701 NXBGSKLVWGRLJL-QBPKDAKJSA-N 319.401 1.579 0 40 DDAB biogenic,in-vitro O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 44920260 SAYJXZPKFMGAKR-HZSPNIEDSA-N 324.384 1.510 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 45163938 NTCWWYTUGFZEND-GFCCVEGCSA-N 310.419 1.918 0 40 DDAB COC(=O)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC 137208225 CZELNJMUGLKMOF-UHFFFAOYSA-N 320.128 1.438 0 40 DDAB COc1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc1 40386659 WGAKYPAFFMIBEV-JTQLQIEISA-N 315.333 1.192 0 40 DDAB C[Si](C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1 195408276 FWPQAYDKDSTZHK-UHFFFAOYSA-N 300.386 1.906 0 40 DDAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CCc2[nH]cnc2C1 225508203 NAMHVBKVJDZZEY-LLVKDONJSA-N 303.337 1.849 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C1 195535978 BFTMYNDMAXSOPF-DEEDKQTDSA-N 316.401 1.298 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)cc1C 59402500 JOFANWZXZLDDRE-AWEZNQCLSA-N 324.446 1.211 0 40 DDAB CCOc1ccc(NC(=S)NCCN2CCCC2=O)cc1 225811584 JPAWCJMLCRDXKU-UHFFFAOYSA-N 307.419 1.994 0 40 DDAB COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)c1ccoc1Cl 225789240 BOLDGOANGCOWSL-RQJHMYQMSA-N 323.754 1.190 0 40 DDAB Cc1cc(CCNC(=O)N2CCC[C@H](CO)C2)cc(C)c1O 190915607 ODGZTGOWZZGSPQ-HNNXBMFYSA-N 306.406 1.965 0 40 DDAB COc1cc(C(=O)NCc2ccn(C)n2)n(-c2ccccc2)n1 227162583 ARACYQKWUPJVSI-UHFFFAOYSA-N 311.345 1.544 0 40 DDAB COc1ccc(N2CCC[C@H](C(=O)Nc3ccn(C)n3)C2)nn1 95473402 DEHMLHHKEVTYKF-NSHDSACASA-N 316.365 1.074 0 40 DDAB CCc1ncc(C(=O)N[C@@H]2CCc3nnc(CC)n3C2)s1 97198593 FRQOMKSSAQJSMG-SECBINFHSA-N 305.407 1.604 0 40 DDAB C[C@](O)(CNC(=O)N[C@@H]1COc2ccccc21)c1ccco1 96439601 RHEPWKNHKCZAML-WBMJQRKESA-N 302.330 1.920 0 40 DDAB CC(C)(C)C(=O)NCCCC(=O)Nc1nnc2ccccn12 59898620 OIZVAQDCDWXCNQ-UHFFFAOYSA-N 303.366 1.610 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 96414729 JBAYQFIABVMBMR-UONOGXRCSA-N 304.390 1.736 0 40 DDAB COCCn1cc(NC(=O)Cc2cc(F)ccc2F)ccc1=O 96476506 UQYGFCNRJHUKJD-UHFFFAOYSA-N 322.311 1.954 0 40 DDAB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1cnn(C)c1)COC3 96112837 DUVNNKCUXWOOJM-AWEZNQCLSA-N 311.389 1.939 0 40 DDAB biogenic,in-vitro C[C@@H]1CN(CCN2C(=O)CCC2=O)[C@H](c2ccccc2)CO1 96441767 AARVKRRCYDLEIZ-HIFRSBDPSA-N 302.374 1.597 0 40 DDAB CC(=O)N1CC[C@@H]2CN(CCC(C)C)S(=O)(=O)[C@@H]2CC1 96037202 VSTRIVZMXZEAJL-ZIAGYGMSSA-N 302.440 1.305 0 40 DDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(c4nnc(C)s4)CC[C@@H]23)n1 96219431 WWOXOJMOENUTEZ-UTUOFQBUSA-N 320.422 1.357 0 40 DDAB CC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccncc3)=NO2)C1 96268186 ADHDBWHLEXHOSU-HNNXBMFYSA-N 302.334 1.178 0 40 DDAB Cc1cc2ccccc2nc1NC[C@@H](O)CN1CCOCC1 95428395 PQYRTJBWRMULSU-OAHLLOKOSA-N 301.390 1.648 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccsc2)C12CCC2 96440804 LONXRDIAZLCLAI-QWHCGFSZSA-N 322.430 1.942 0 40 DDAB COC[C@@H]1COCCC12CCN(C(=O)c1ncccn1)CC2 96106378 DVLIEPSFBDZJON-CYBMUJFWSA-N 305.378 1.382 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96158075 GQGVWPYNBTXVMP-MRXNPFEDSA-N 323.462 1.719 0 40 DDAB CN(Cc1ccccc1F)C(=O)COc1nnc2ccccn12 96447908 CYJUTSFFHPMKCU-UHFFFAOYSA-N 314.320 1.906 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)o2)O1 96057486 DFBAKTKXNNEGPL-BZUAXINKSA-N 322.405 1.473 0 40 DDAB Cc1cc(CN2CCn3cc(C(=O)N(C)C)nc3[C@@H]2C)no1 247985322 KLLAOSABJSBPPS-NSHDSACASA-N 303.366 1.458 0 40 DDAB O=C(Cn1cccn1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257301623 RZDUHSNZJNOPAQ-HZSPNIEDSA-N 312.377 1.022 0 40 DDAB CC(=O)N1CCC[C@H]2N(C(=O)c3ncccc3O)CCC[C@@]21C 257320247 VVXSJKYOGKJJED-PBHICJAKSA-N 317.389 1.793 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)Cc1ccccc1F 257311564 UKAWTSGCDAXBSQ-CQSZACIVSA-N 303.337 2.000 0 40 DDAB CC(C)C[C@@H]1OCCC[C@H]1NCCC(=O)N1CCN(C)CC1 252479437 BFBZTVBNWZKFSU-CVEARBPZSA-N 311.470 1.334 0 40 DDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257300851 RVXRBDBLVWUSPC-JFIYKMOQSA-N 320.408 1.862 0 40 DDAB Cc1cc(-c2cc(C)nc([C@H]3CCCN3S(C)(=O)=O)n2)[nH]n1 257267106 MFZWLQNNKDCIRZ-CYBMUJFWSA-N 321.406 1.580 0 40 DDAB Oc1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ncn1 257340677 ZHDRTEWBPPFELR-LBPRGKRZSA-N 306.391 1.472 0 40 DDAB CN(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 260759597 CBOMNICVDBKLIU-KCQAQPDRSA-N 322.430 1.612 0 40 DDAB COC(=O)c1ccsc1NC(=O)c1cc2n(n1)CCCO2 90626776 OGQHUXZPVIUIJA-UHFFFAOYSA-N 307.331 1.766 0 40 DDAB COc1nc(CNC(=O)c2cccc(Cl)c2)nc(OC)n1 575604213 USHQMJKRJDXUEQ-UHFFFAOYSA-N 308.725 1.472 0 40 DDAB CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)c1c(C)noc1C 585094803 NLQPCISSSRXWFA-GFCCVEGCSA-N 318.377 1.629 0 40 DDAB COc1ncccc1C(=O)NCCC(=O)NCc1ccccc1 60274502 OROYGIKAVZUNSW-UHFFFAOYSA-N 313.357 1.527 0 40 DDAB Cc1noc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 58014811 IDPIOFMUCKCHTF-UHFFFAOYSA-N 310.331 1.863 0 40 DDAB COC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58217800 UJDLWVDBGSSSNI-UHFFFAOYSA-N 313.107 1.439 0 40 DDAB CC(C)[C@@H](C(=O)NC1CCN(c2ncccn2)CC1)N(C)C 65609671 JQKISAQSRNAKFS-AWEZNQCLSA-N 305.426 1.148 0 40 DDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](n2ccnc2)C1 69973809 MKAMTCJXRDNBRI-CHWSQXEVSA-N 313.423 1.260 0 40 DDAB O=C(c1cnn2cccnc12)N1CC[C@@H](c2ccccc2)[C@H](O)C1 12156971 IPIMIEMDCXYLDO-GOEBONIOSA-N 322.368 1.720 0 40 DDAB COCC(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 13009522 NGNMOWRPZVVUST-UHFFFAOYSA-N 324.344 1.991 0 40 DDAB CCS(=O)(=O)N1CCc2cc(C(=O)NC(C)(C)C)ccc21 13610096 FXYJZYMWGBRNOT-UHFFFAOYSA-N 310.419 1.927 0 40 DDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=N)NC1=O 17084617 WYCLRVLERUCXTD-VIFPVBQESA-N 313.766 1.844 0 40 DDAB CN1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 20548399 RZWQFKHHKBLWRH-UHFFFAOYSA-N 308.765 1.899 0 40 DDAB Cc1nc(C(=O)NCCn2nc3c(cc2=O)CCCC3)cs1 575608430 NIIHLIMPMSSCFF-UHFFFAOYSA-N 318.402 1.317 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)nn1 1888852962 ANSTVLMLAXBAOS-CYBMUJFWSA-N 315.377 1.368 0 40 DDAB O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CC(=O)N(C2CC2)C1 29540980 VKMYYCOGISJYSL-RISCZKNCSA-N 300.358 1.637 0 40 DDAB C1=C[C@H]2C[C@H]1C[C@@H]2CN1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056223905 GYGBWLDYFAXOSX-KSWRQPAISA-N 312.417 1.578 0 40 DDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(N2CCCC2)C1 1254908805 GJLJQXGOEWGGNO-UHFFFAOYSA-N 318.801 1.948 0 40 DDAB COc1cc(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)on1 1565550261 WNGCREQHFIRSKP-STQMWFEESA-N 302.330 1.501 0 40 DDAB CCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713854 RRESCYKEZREUCA-ZDUSSCGKSA-N 318.421 1.454 0 40 DDAB CCCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2CC 22732650 VSDLNJFGASFIAD-UHFFFAOYSA-N 317.433 1.644 0 40 DDAB O=C(CN1CCC[C@H](NC(=O)C2CC2)C1)Nc1ccc(F)cc1 1006515370 OCBZXGILKRIHRH-HNNXBMFYSA-N 319.380 1.755 0 40 DDAB Cn1c(COc2cccc(Cl)c2Cl)cc(=O)n(C)c1=O 40477979 NEHZXEWNCGMFCI-UHFFFAOYSA-N 315.156 1.970 0 40 DDAB Cn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 122016 BMNUZXOOZMDEQK-UHFFFAOYSA-N 306.347 1.317 0 40 DDAB Cc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 40497146 OVMFRAAJNRGNNU-NSHDSACASA-N 307.371 1.906 0 40 DDAB CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 100886028 UKKGEKYFVJZNFL-WBOJAVRRSA-N 305.374 1.663 0 40 DDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1ccccc1 45879307 FCQVLYBWIIINMF-OAHLLOKOSA-N 322.430 1.081 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 262601 HHWGCMBGBMUUKB-UHFFFAOYSA-N 302.440 1.307 0 40 DDAB COCCCNC(=O)Cn1cc(C(=O)OC)c2ccccc21 4450619 PMBTWUGETSTDPG-UHFFFAOYSA-N 304.346 1.581 0 40 DDAB O=C(OCCN1CCOC1=O)c1cc(=O)[nH]c2ccccc12 29322584 YAPZMBGAKFMAQL-UHFFFAOYSA-N 302.286 1.137 0 40 DDAB CCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)cc1 6265044 XSEGFOQQYWGGLJ-UONOGXRCSA-N 301.346 1.887 0 40 DDAB CC(C)Cc1nc(CN(C)CC2CCN(C[C@@H](C)O)CC2)no1 69901480 ONJPGGUZHIRDLG-CQSZACIVSA-N 324.469 1.793 0 40 DDAB N#C/C(=C/c1ccc(N2CCCCC2)cc1F)C(=O)NC(N)=O 6969812 BVSVZBHPCNOZRI-WQLSENKSSA-N 316.336 1.918 0 40 DDAB NC(=O)c1cccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c1 69950794 OHCHQGOIOMZTDA-OAHLLOKOSA-N 312.373 1.677 0 40 DDAB CCc1ccc(OCC(=O)NC(N)=S)c(Br)c1 359133 FFJNGYFFLHMMHU-UHFFFAOYSA-N 317.208 1.750 0 40 DDAB O=C(Nc1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 10036599 FDTLYNYELFSWJZ-QMMMGPOBSA-N 311.388 1.605 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1cccnc1N(C)C 32437972 LOQAIMKBKDQNRS-UHFFFAOYSA-N 310.379 1.231 0 40 DDAB O=CNCCCNc1ncnc2ccc(Br)cc12 32540968 QJCQINDTAIMRIY-UHFFFAOYSA-N 309.167 1.940 0 40 DDAB Nc1cc(CCCNC(=O)[C@@H]2CCOC2)nn1-c1ccccc1 75124450 ZFNOIEKQGXFYLU-CYBMUJFWSA-N 314.389 1.540 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@@H]21 32912474 UJCOQNXQXUPZJO-KCJUWKMLSA-N 315.778 1.499 0 40 DDAB O=C1COc2cc(C(=O)NC[C@H]3Cc4ccccc4O3)ccc2N1 33112806 OLUDDEGGNVYHJU-CYBMUJFWSA-N 324.336 1.751 0 40 DDAB CCN1CCC[C@H](NC(=O)c2cccnc2OCCOC)C1 53150514 PNAALZLLFYFQPR-ZDUSSCGKSA-N 307.394 1.321 0 40 DDAB COc1ccc(OCCN(C)c2ccc3nnnn3n2)cc1 22202688 OBCPKASXHPKZEG-UHFFFAOYSA-N 300.322 1.043 0 40 DDAB COc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2C)N2CCOCC2)cc1 22686304 YOBKTPNBLIQQQL-JQFCIGGWSA-N 318.417 1.841 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)NCC(F)(F)F 22993552 IGERJMDPQWLQPW-UHFFFAOYSA-N 300.240 1.743 0 40 DDAB CC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1 54192892 CTXRBEQJLKJVIZ-INIZCTEOSA-N 301.390 1.571 0 40 DDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCCC1 12553881 SDMIURRGPMAKOZ-WDEREUQCSA-N 303.362 1.829 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(Cc3ccccn3)CC2)C1 108535935 YZPVUOIJFWMHHC-UHFFFAOYSA-N 309.435 1.375 0 40 DDAB CO[C@@H]1O[C@H]2CO[C@@]1(OCc1ccccc1)[C@@H]1OC(C)(C)O[C@H]21 102958851 SBEWAOCFMZWMSQ-GHYKFQNRSA-N 322.357 1.821 0 40 DDAB C[C@@H](CNC(=O)N(C)[C@H](C)c1ccncc1)N1CCOC[C@@H]1C 106911412 JIHSVTQLWBVPKJ-SOUVJXGZSA-N 320.437 1.893 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2sccc2-n2cccc2)CCO1 43701208 GTYZMJWIVIXYSW-NSHDSACASA-N 306.343 1.464 0 40 DDAB O=C(NCc1cccnc1-n1cccn1)NC[C@@H]1CCCOC1 57161571 VPRCSRKXOVJFIX-ZDUSSCGKSA-N 315.377 1.493 0 40 DDAB O=C([C@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)N1CCCC1 108457281 UVZMJZJBXBHKFJ-YVECIDJPSA-N 310.419 1.078 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Br)o1 44427591 KTDPBKJZVPKZJP-SFYZADRCSA-N 315.167 1.768 0 40 DDAB CN1CCN(C(=O)CCCNC(=O)Nc2ccccc2F)CC1 58023216 GBYRDAJMTGGPEP-UHFFFAOYSA-N 322.384 1.501 0 40 DDAB Cc1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58023772 DTAGZACGKYWIRL-CQSZACIVSA-N 311.345 1.483 0 40 DDAB O=C(CCNC[C@H]1CNc2ccnn2C1)NC1CCCCC1 58299782 PYZWRUWLQHTNBE-ZDUSSCGKSA-N 305.426 1.353 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)n1 58209320 VEUBVVRZRMOZNO-OAHLLOKOSA-N 312.373 1.498 0 40 DDAB O=C(CSc1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 58268221 NAWMPGOBUOJBNJ-ZIAGYGMSSA-N 306.431 1.758 0 40 DDAB C[C@H]1COCCN1C(=O)CCc1nc(-c2cccs2)no1 44912513 FBHXOZBIRTWTIM-JTQLQIEISA-N 307.375 1.978 0 40 DDAB COc1ncccc1CNC(=O)NC[C@@H](O)c1ccccc1F 44955323 IFSNOIVDIHAAMJ-CQSZACIVSA-N 319.336 1.762 0 40 DDAB C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)[C@H](C)CO1 44909699 ZEJDRHLLMKDDMN-VXGBXAGGSA-N 318.373 1.586 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)NCCCn1ccnc1 27823983 OGFXOXARUGDRJY-UHFFFAOYSA-N 309.391 1.569 0 40 DDAB C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 37836474 RNCGGWRLYGOMRY-FRRDWIJNSA-N 318.439 1.538 0 40 DDAB Cc1cc(-c2nnn(Cc3cccc(C(N)=O)c3)n2)ccc1F 58326713 SDQRIBUQNORYAB-UHFFFAOYSA-N 311.320 1.935 0 40 DDAB O=C1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1 36379668 KEAOLORBFBSGAC-KRWDZBQOSA-N 309.369 1.798 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)COCC3CC3)CCO2)n1 76046140 NQKVQGZFHYEMCH-GFCCVEGCSA-N 308.382 1.084 0 40 DDAB O=C(CCSc1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 48376011 AAIOROJGHRKEFS-LLVKDONJSA-N 317.407 1.611 0 40 DDAB O=C(NCc1ccccc1N1CCOCC1)N1CCSCC1 62561927 IPMQFWCIDONLIY-UHFFFAOYSA-N 321.446 1.782 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccc2c(c1)OCCCO2 7990070 YNYYYYRNHCGYJJ-UHFFFAOYSA-N 308.359 1.319 0 40 DDAB COc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1 3611710 FTTGXQXOCYXOSD-UHFFFAOYSA-N 323.352 1.722 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@H]1C)C2=O 13113397 QTWJOAVWJMHMML-AHIWAGSCSA-N 321.421 1.888 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccncc1 16731314 XGPBUOJIPXGRAH-SNVBAGLBSA-N 305.359 1.220 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(\C)NCc2ccco2)C1=O 6294244 VUVFIAVVKNTITE-BENRWUELSA-N 305.334 1.522 0 40 DDAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCNS(C)(=O)=O 76957310 QFQBLWWPWVATRE-ZIAGYGMSSA-N 310.419 1.154 0 40 DDAB CCOC(=O)C1=C(CN(C)CC)NC(=O)N[C@H]1c1ccco1 65622423 HBBPGGHZGUZZHO-ZDUSSCGKSA-N 307.350 1.402 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(C(=O)C2CCC2)CC1 69485274 GCLJJOXPGFQGMZ-UHFFFAOYSA-N 312.373 1.647 0 40 DDAB C[C@@H]1CN(Cc2noc(C3CC3)n2)CCN1Cc1nccn1C 69452865 FBDLDHQLMPXJKU-GFCCVEGCSA-N 316.409 1.387 0 40 DDAB O=C(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 4769723 PFDWKYNNVVVMDM-UHFFFAOYSA-N 321.354 1.629 0 40 DDAB Cc1cccc(CS(=O)(=O)N[C@@H](C)CN2CCOCC2)c1 69699242 GWQAXQQBCWMHRF-AWEZNQCLSA-N 312.435 1.135 0 40 DDAB CCCNC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8742491 LXNLHVNUTQQPPB-UHFFFAOYSA-N 304.350 1.071 0 40 DDAB Cc1ccnc(NC(=O)CN(C)C(=O)/C=C/c2cscn2)c1 69775800 FXPLUAUTIJUCNH-ONEGZZNKSA-N 316.386 1.957 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8990288 AYEIITNHQDTXJY-MRVPVSSYSA-N 320.784 1.501 0 40 DDAB Cc1nc(CC(=O)N[C@@H](CN2CCOCC2)C(C)C)cs1 79071093 JNQHQCOJJMMLNN-AWEZNQCLSA-N 311.451 1.467 0 40 DDAB CCN1CCO[C@H](CNCc2ccccc2-n2cncn2)C1 72268799 HJJPLRPIPKAIIH-OAHLLOKOSA-N 301.394 1.078 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)Nc2nnc(C)s2)no1 72279320 OQCUKTXETUYSIE-SECBINFHSA-N 322.394 1.568 0 40 DDAB O=C(CNCCn1cccn1)NCCOc1ccc(Cl)cc1 72267828 QMBOXECSRWKKST-UHFFFAOYSA-N 322.796 1.321 0 40 DDAB CN1CCO[C@@H](CNCc2coc(-c3cccc(F)c3)n2)C1 72267935 NVISEDRBLXIFEE-HNNXBMFYSA-N 305.353 1.901 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cnn(C(C)(C)C)c1 97034180 IKDRLWCBTCNVCV-GHMZBOCLSA-N 307.398 1.756 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)c1cc(-n2cccn2)ccn1 79582666 BIWKBOYZDWRWCA-UHFFFAOYSA-N 309.329 1.527 0 40 DDAB C[C@@H](c1ccccn1)N1CCN(C(=O)Cc2cccnc2)CC1 97142455 AEIZJEGBGPEJBC-HNNXBMFYSA-N 310.401 1.925 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1cn(-c2ccccc2)nn1 97197579 PKSNLXMYMVIWRB-LBPRGKRZSA-N 308.345 1.209 0 40 DDAB O=C(CN1CCC(c2cn[nH]c2)CC1)NCc1cccs1 97203334 GMKBGDSGXRFZPU-UHFFFAOYSA-N 304.419 1.967 0 40 DDAB CC(C)c1nc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)no1 84631074 AHXJXXPUBWVNEC-HNNXBMFYSA-N 321.381 1.098 0 40 DDAB O=C(Cc1ccon1)N1CCN(c2ccncc2Cl)CC1 95438254 YNFGUVPGLRBCTE-UHFFFAOYSA-N 306.753 1.614 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@H]2CCC[C@@]2(C)CO)s1 95442313 BPHXPQZLXADEQY-JQWIXIFHSA-N 304.437 1.589 0 40 DDAB Cc1ccn2/c(=N/C(=O)[C@H](C(C)C)N3CCCC3=O)[nH]nc2c1 88254908 YRBZLUWZBGNFAA-AWEZNQCLSA-N 315.377 1.045 0 40 DDAB Cc1noc(C)c1CN1CCC(NC(=O)c2cnccn2)CC1 98211943 FMCWLKXOXWUPAB-UHFFFAOYSA-N 315.377 1.476 0 40 DDAB Cc1cc(CN2CCN(S(C)(=O)=O)CC2)c2ccccc2n1 74330101 IOHIFMFPLRNFAL-UHFFFAOYSA-N 319.430 1.620 0 40 DDAB COCCOCc1nc2ccc(Br)cc2c(=O)[nH]1 75078731 BSUXYOUUNRUBPB-UHFFFAOYSA-N 313.151 1.849 0 40 DDAB COC(=O)c1cc(NC(=O)CSCCO)ccc1Cl 409180543 ZFHSBDKXTDRPMU-UHFFFAOYSA-N 303.767 1.791 0 40 DDAB CC(=O)Oc1ccc(C(=O)O)cc1I 36462239 DYVAJZPUBLUNSZ-UHFFFAOYSA-N 306.055 1.915 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2C)n1 72378463 FZOJSDWTTDPSCK-CYBMUJFWSA-N 301.350 1.281 0 40 DDAB O=S(=O)(CC12CCC(CC1)C2)NC[C@H](O)[C@@H]1CCCO1 528483585 GSVUVSLMLCWGGY-QPPOZKHWSA-N 303.424 1.026 0 40 DDAB CSc1ncc(Cl)c(C(=O)N[C@@H]2CC[S@](=O)C2)n1 530643189 VUKXOLVWRTXTTP-DMWPKQFHSA-N 305.812 1.103 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1COc2cc(OC)ccc21 534804886 BJLAFUKMZIXALX-BXUZGUMPSA-N 318.373 1.298 0 40 DDAB CCc1nc(CC(=O)N[C@@H]2CCc3nc(C)cn3C2)cs1 72279103 ZKUMSMUDHXKKKR-LLVKDONJSA-N 304.419 1.884 0 40 DDAB CCOC(=O)C[C@H](c1ccncc1)c1oc(CO)cc(=O)c1O 78549327 JNMBENFTGXXDBS-GFCCVEGCSA-N 319.313 1.318 0 40 DDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72237976 IZJRLFYTZIYKQP-CVEARBPZSA-N 320.389 1.128 0 40 DDAB O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCc2ccccc21 38488659 RRHMHBHNMMIYIL-CQSZACIVSA-N 313.357 1.121 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H](F)C2)c(C)c1C(=O)O 414327912 PFTRFUXMMAXHPR-JTQLQIEISA-N 301.339 1.734 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)nn1 225421515 YWHHVHXNQDNCHY-ZDUSSCGKSA-N 323.356 1.955 0 40 DDAB Cc1cnc(C)c(NC[C@@]2(N3CCOCC3)CCSC2)n1 195563729 IQDFYNQMOZCNDR-HNNXBMFYSA-N 308.451 1.713 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@H](O)c1ccco1 77112204 ZVJSTFYMJOARJF-AWEZNQCLSA-N 320.389 1.826 0 40 DDAB CC(C)[C@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1ccccn1 96440632 GAWJAJIIDQYCRO-CABCVRRESA-N 317.393 1.545 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccccn1 96062065 KTHSGICPKHFWGP-ZDUSSCGKSA-N 322.372 1.740 0 40 DDAB CNC(=O)CN1CCCC12CCN(C(=O)c1ccoc1)CC2 96227922 PEXOMBOSROJXMT-UHFFFAOYSA-N 305.378 1.096 0 40 DDAB COCC(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 96200274 VEZLMMNQKGKVDQ-LSDHHAIUSA-N 307.394 1.005 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048421 LIEPDLUKDVOHLK-IUODEOHRSA-N 305.382 1.194 0 40 DDAB O=C(O)C1=NN(c2ccccc2)c2ncccc2S1(=O)=O 96511609 CVDPBQSWWLJILF-UHFFFAOYSA-N 303.299 1.405 0 40 DDAB COC(=O)c1nc(NC(=O)CCCn2cccn2)sc1C 95474296 BTGKCJPZPGBWQM-UHFFFAOYSA-N 308.363 1.854 0 40 DDAB CN1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 96228722 WERSMCXLZVDXSL-MRXNPFEDSA-N 308.447 1.861 0 40 DDAB Cc1cccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)n1 97102882 IIBBBLKARXZZDL-UHFFFAOYSA-N 316.405 1.544 0 40 DDAB COC(=O)c1ccc(CN2CCNC(=O)[C@H]2c2cccs2)o1 96443545 NKBCTFAWADWJJT-CYBMUJFWSA-N 320.370 1.801 0 40 DDAB CCS(=O)(=O)N1Cc2cncn2[C@@H](COc2ccccn2)C1 253489392 FBNVGSFRKSFQLF-CYBMUJFWSA-N 322.390 1.064 0 40 DDAB NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257284050 PBBNJGNEXVGBIC-KZNAEPCWSA-N 304.434 1.519 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2cscn2)O1 252482336 DDCRFKXDBXLCPL-IELRGYKMSA-N 310.375 1.467 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)CC2CCCC2)CCO1 257326923 WZDAJSQSGBKVML-ZDUSSCGKSA-N 304.394 1.999 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCC(O)(Cc2ccncc2)CC1 537719951 INQDHTHHMHWVCZ-HNNXBMFYSA-N 304.390 1.547 0 40 DDAB Cc1ncsc1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257306150 STDIRODKKLIYDK-JHJVBQTASA-N 309.435 1.559 0 40 DDAB O=C(O)Cn1cnc(NC(=O)C[C@H]2CCc3ccccc32)n1 647780499 AAPNYHSCNBQECU-LLVKDONJSA-N 300.318 1.421 0 40 DDAB CSCC(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575405413 ZAIINBLBMZJILC-LBPRGKRZSA-N 310.444 1.910 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCO3)cn2)CCO1 44943716 QOQIUYCASNLOTP-JSGCOSHPSA-N 305.378 1.102 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)CCNc2ncccn2)no1 52355677 QAKLUFXPJWHMSN-ZDUSSCGKSA-N 301.350 1.939 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C)C2)n1 75129693 MFHBHPOLVWEENN-LSDHHAIUSA-N 318.421 1.359 0 40 DDAB COC(=O)c1oc([C@H](C)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1C 91595239 VKWUHDPWPPZFCP-OUCADQQQSA-N 308.378 1.450 0 40 DDAB O=C(Nc1ccc(Br)cc1O)[C@@H]1COCCO1 75664706 NRSMSPKNYOTLMX-JTQLQIEISA-N 302.124 1.509 0 40 DDAB COC(=O)[C@H](C)[C@H](NC(=O)c1cn[nH]c1C)c1ccccc1 86231850 ONPYZKKIPMZXTI-YGRLFVJLSA-N 301.346 1.998 0 40 DDAB CC(=O)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19369107 VXZFZOFWTCDDNB-ROUUACIJSA-N 318.417 1.350 0 40 DDAB in-vitro CN(C)c1nccnc1O[C@H]1CCCN(C(=O)CC2CC2)C1 225505909 CRUKTOCIFAGKFT-ZDUSSCGKSA-N 304.394 1.713 0 40 DDAB CCS(=O)(=O)C1CN(C(=O)c2ccc(OC)c(F)c2)C1 225747173 XKYLKVHEOFYYIP-UHFFFAOYSA-N 301.339 1.093 0 40 DDAB COC(=O)c1ccc(OCC(=O)Nc2c(C)nn(C)c2C)cc1 6841246 OPSVAKNUKLSHCJ-UHFFFAOYSA-N 317.345 1.841 0 40 DDAB O=C(NCC1(O)CSCCSC1)c1cc(C2CC2)on1 1888849948 SQQXUMGTSZFGGU-UHFFFAOYSA-N 314.432 1.493 0 40 DDAB COc1cccc2sc(N3CC[C@]4(C3)NC(=O)NC4=O)nc12 1888865639 HSDWHUYLZBQYSV-CQSZACIVSA-N 318.358 1.093 0 40 DDAB COc1cc(C)n(CCNC(=O)Cc2ccsc2)c(=O)c1 238860649 KOXLPGSPZDUDCG-UHFFFAOYSA-N 306.387 1.586 0 40 DDAB Cc1ccc(F)cc1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037984234 UWZGNHSPMDXMEY-HOCLYGCPSA-N 306.381 1.813 0 40 DDAB Cn1ccc(C(=O)N2CCC(O)(COc3ccccc3)CC2)n1 2037905560 GSSLFYSBTWZTSF-UHFFFAOYSA-N 315.373 1.466 0 40 DDAB Cc1cc(N2CCN([C@H]3CCCC[C@H]3O)CC2)nc(N(C)C)n1 2087122244 CYDAMJVNAVPAOQ-LSDHHAIUSA-N 319.453 1.277 0 40 DDAB CCN1CCCc2cc(CCNC(=O)C(=O)NC(C)C)ccc21 22732767 SXGQICBPTNCXHB-UHFFFAOYSA-N 317.433 1.642 0 40 DDAB CCOC(=O)c1c(S[C@H](C)C(=O)OCC)nc(=O)[nH]c1C 4317561 DXDNRLIKVGHFRR-MRVPVSSYSA-N 314.363 1.299 0 40 DDAB Cc1nnc(N2CCC[C@H](NS(C)(=O)=O)C2)c2ccccc12 29622239 FKXUCUXLWHHHJF-LBPRGKRZSA-N 320.418 1.456 0 40 DDAB Cc1cc(C=O)c(C)n1N(CC(=O)O)C(=O)c1cccnc1 34776604 RXXFBYWCQNEZOS-UHFFFAOYSA-N 301.302 1.175 0 40 DDAB CN1CCN(C(=O)C[C@@H]2CSc3ccccc3NC2=O)CC1 20031566 CNQWLRKAQTVUBC-GFCCVEGCSA-N 319.430 1.511 0 40 DDAB COCc1nnc(NC(=O)c2csc(NC3CC3)n2)s1 40285515 LLYRFNRWWLXQEP-UHFFFAOYSA-N 311.392 1.968 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2cccc(Cl)c2)n1 568935 FFPQPUVDDNYSLX-UHFFFAOYSA-N 324.797 1.863 0 40 DDAB Cc1cnn(CCNC(=O)c2cc(C3CC3)nc3c2cnn3C)c1 36616864 BBZFNUHZUPCUMG-UHFFFAOYSA-N 324.388 1.781 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 40541067 OCBKCKCYLDIHEO-CYBMUJFWSA-N 317.389 1.496 0 40 DDAB C[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)N1CCOCC1 40509914 UWRMBSTVCSAODK-GFCCVEGCSA-N 316.357 1.244 0 40 DDAB CCn1c(CSc2nnc(N)[nH]2)nc2cc(C(=O)O)ccc21 2659633 IUAXNJRDRINNMZ-UHFFFAOYSA-N 318.362 1.747 0 40 DDAB CN1C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1=O 40534553 KFILDALAXOOXDB-QMMMGPOBSA-N 317.267 1.440 0 40 DDAB CCOc1ncccc1NC(=O)N1CCCN(C(=O)OC)CC1 69779807 WHTGLAHTZWOKBT-UHFFFAOYSA-N 322.365 1.786 0 40 DDAB COCCNC(=O)CSc1nnc(C)n1-c1ccccc1 3409736 UVEWEGLPUSBBNG-UHFFFAOYSA-N 306.391 1.430 0 40 DDAB C[C@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)cc1 3583448 IUESDCGZFQIJJY-LBPRGKRZSA-N 307.369 1.755 0 40 DDAB COC(=O)c1ccc(/C=C/C(=O)N(C)Cc2nc(C)n[nH]2)cc1 75144524 CCEHVJMEFHBMGJ-RMKNXTFCSA-N 314.345 1.572 0 40 DDAB CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCO2 29386195 IJHDWGRBEGICMK-LBPRGKRZSA-N 321.377 1.157 0 40 DDAB CN(Cc1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1 6678610 VWDALUKSVALIQR-UHFFFAOYSA-N 310.400 1.668 0 40 DDAB COCCNC(=O)CSc1nnc(C)n1-c1ccc(F)cc1 6969534 CREOIEQHOMRMJB-UHFFFAOYSA-N 324.381 1.570 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)c3ccccc3F)c12 57279747 XHNLMTIHDBUBNX-UHFFFAOYSA-N 301.325 1.647 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC12CC3CC(CC(C3)C1)C2 20888936 NVMPBGRKIOBMJV-IKMFHRHGSA-N 311.447 1.896 0 40 DDAB Cc1cc(=O)n2nc(Oc3cccc(C(N)=O)c3)sc2n1 32923492 CXHMZVNJBFWRIY-UHFFFAOYSA-N 302.315 1.351 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 26505281 CQGQSLDQXDUVQF-MNOVXSKESA-N 300.380 1.475 0 40 DDAB C[C@@H](C(=O)NC(C1CC1)C1CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102887522 LQSPSMIYKMCQNK-LEWSCRJBSA-N 318.417 1.855 0 40 DDAB COC(=O)c1cccc(COC(=O)CNC(=O)c2ccco2)c1 563802 DOUFGQZSSNSBDF-UHFFFAOYSA-N 317.297 1.539 0 40 DDAB CC(C)(C)OC(=O)NC[C@H](O)CN1CCc2ccccc2C1 89662517 SLGGXAYHZKPSDL-HNNXBMFYSA-N 306.406 1.930 0 40 DDAB COC(=O)C(C)(C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 23176712 RBECRYCEHMAWKB-CQSZACIVSA-N 320.389 1.630 0 40 DDAB CN(C(=O)C1CCN(C(N)=O)CC1)[C@H]1CCc2ccccc21 42638808 OJQLIQUTGPBMMF-HNNXBMFYSA-N 301.390 1.923 0 40 DDAB O=C(NCc1ccccn1)N[C@H]1CCCN(c2ncccn2)C1 42880490 UJUWFVYELBYGHG-AWEZNQCLSA-N 312.377 1.340 0 40 DDAB Fc1cccc2[nH]c(CN3CCC[C@@H]3Cn3cncn3)nc12 69601252 VMZAQGFTWCPXTQ-LLVKDONJSA-N 300.341 1.958 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)C(C)C 24989006 ONPCBIYTTPVMJC-ZDUSSCGKSA-N 318.377 1.940 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cccc(CS(C)(=O)=O)c1 25047479 RCFGORQSAWJXSU-UHFFFAOYSA-N 321.402 1.237 0 40 DDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@@H]2CCC[C@@H]21 106829978 GQHVQYXQTHNJCV-QLFBSQMISA-N 316.405 1.473 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1ccc2c(c1)OCCO2 43508696 DOEDIBJJXFAFTQ-CQSZACIVSA-N 309.343 1.148 0 40 DDAB CCC(C)(C)NC(=O)CNc1cccc(-c2nnnn2C)c1 25705753 KRDPEMXTYUKBHT-UHFFFAOYSA-N 302.382 1.594 0 40 DDAB CC(=O)N1CCC(NC(=O)N2CCc3sccc3C2)CC1 43879489 LLIBCFFFXYOTJH-UHFFFAOYSA-N 307.419 1.827 0 40 DDAB Cc1ccsc1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O 26000178 DPWYMWZVHNTVDZ-LLVKDONJSA-N 316.448 1.487 0 40 DDAB CC(=O)N[C@@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 108182412 XXBXALVCPVSZRE-HZPDHXFCSA-N 303.406 1.416 0 40 DDAB COCCN(CCOC)C(=O)COC(=O)c1ccc(C)cc1 3252132 JJPMHRANDHUGON-UHFFFAOYSA-N 309.362 1.273 0 40 DDAB CNC(=O)NC(=O)CNc1cc(C)ccc1Br 90084218 BAXWMQVMEWGPCA-UHFFFAOYSA-N 300.156 1.625 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1c(C)noc1C)C2 90168366 ZTDDNSIERQRFOU-LLVKDONJSA-N 310.379 1.090 0 40 DDAB Cc1ccc2c(CC(=O)N[C@@H]3CCCNC3=O)coc2c1C 58225938 OEILMOMUTKGRLZ-CQSZACIVSA-N 300.358 1.987 0 40 DDAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)COCc1ccco1 24101939 BREUVYDTKPBLAS-ZDUSSCGKSA-N 321.373 1.867 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@H]2CCCO2)CC1 44975127 KFQICCLTELLHJH-WCQYABFASA-N 320.393 1.331 0 40 DDAB C[C@H](C(=O)NC[C@H](c1ccccc1Cl)N(C)C)n1cncn1 44910899 CGUGUUNFZOAFNG-BXUZGUMPSA-N 321.812 1.912 0 40 DDAB Cn1c(CNc2ccc(Br)cc2)cc(=O)n(C)c1=O 10851126 HPYYPNGAJQNKIV-UHFFFAOYSA-N 324.178 1.459 0 40 DDAB CS(=O)(=O)CCN1CCn2cccc2[C@H]1c1ccccc1 48354178 HOIFMFVLNZVNDD-MRXNPFEDSA-N 304.415 1.938 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccccc1CC 21883845 HFVDMJFWGBIYCC-UHFFFAOYSA-N 323.374 1.950 0 40 DDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1 12932534 UTOUPZREDUOBFO-UHFFFAOYSA-N 314.407 1.093 0 40 DDAB CCC1(C(=O)O)CCN(S(=O)(=O)c2cncc(F)c2)CC1 62845275 DBZDKQJTBDHFFB-UHFFFAOYSA-N 316.354 1.486 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1 7303996 LAYPOJNWRADDTF-KOLCDFICSA-N 324.764 1.797 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1ccnc1 65550402 RMKYTTDTTAERRC-GFCCVEGCSA-N 319.796 1.841 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1cccc3c1OCCO3)CC2 65563816 JTONWZNQIWSJMX-ZDUSSCGKSA-N 300.362 1.462 0 40 DDAB COc1cc(C(=O)NS(=O)(=O)C(C)C)ccc1OC(C)C 65622272 VPILOEQBKPYTME-UHFFFAOYSA-N 315.391 1.950 0 40 DDAB O=C(COn1nnc2ccccc21)NCCCc1ccccc1 5404272 YURWWARVFNICJR-UHFFFAOYSA-N 310.357 1.609 0 40 DDAB COc1ccccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 5451215 RMQQRNORTRCWQP-UHFFFAOYSA-N 311.345 1.931 0 40 DDAB Cc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 4696213 HNRYKJDRJCLIMU-UHFFFAOYSA-N 318.398 1.501 0 40 DDAB CCOCCCNC(=O)N[C@H](Cc1ccccc1)C(=O)OC 6656212 WZCBIKVKSJSVTE-CQSZACIVSA-N 308.378 1.497 0 40 DDAB COC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(OC)c2)CC1=O 8235053 RZFZKMLIELCBMC-VXGBXAGGSA-N 306.362 1.517 0 40 DDAB CC[C@H](CNC(=O)CNC[C@@H]1CN(C)CCO1)c1ccccc1 69740468 BAKDTTONFCIYIE-NVXWUHKLSA-N 319.449 1.217 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)c2cccc(C)n2)c1CC 83817662 SPPHCWGNDZUJOO-UHFFFAOYSA-N 300.362 1.528 0 40 DDAB O=C(Cc1ccn[nH]1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 89884746 WWZJRUKZTNGDKP-CQSZACIVSA-N 304.394 1.250 0 40 DDAB CC(C)NC(=O)CN(c1ccc(Cl)cc1F)S(C)(=O)=O 9112939 CLXLVKIXNAZURR-UHFFFAOYSA-N 322.789 1.770 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)CCC1=O 75607079 BKZZRJBQMVGNJE-LLVKDONJSA-N 319.365 1.082 0 40 DDAB COC(=O)c1ccccc1[C@H]1NC(N)=Nc2nc3ccccc3n21 9884518 FISGJMLPKQVSSZ-AWEZNQCLSA-N 321.340 1.919 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CCCOC2)cc1 96430928 HUVBRJBSYVRSPN-HZPDHXFCSA-N 316.401 1.781 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCO[C@H]3CCCC[C@@H]32)C1=O 71828216 NNFAUCVDXAFOFN-STQMWFEESA-N 309.410 1.350 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)n1cncn1 71866610 CASGVLXYCHZVRU-ZIAGYGMSSA-N 302.382 1.363 0 40 DDAB O=C(c1ncoc1[C@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 72286003 NKQIOAXMLBKGIJ-NWDGAFQWSA-N 317.349 1.595 0 40 DDAB Cc1ccnc2c(OC[C@@H](O)CN3CCOCC3)cccc12 97094864 CMWKOHMCKPAZMQ-AWEZNQCLSA-N 302.374 1.615 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2F)CCO1 97081854 VUMFXTSJRDERQR-SNVBAGLBSA-N 300.717 1.066 0 40 DDAB CCc1c(C(=O)N2CC[C@H](N)C2)cnn1-c1ccc(F)cc1 97019566 QOOCECBKHATDGO-LBPRGKRZSA-N 302.353 1.747 0 40 DDAB CCS(=O)(=O)Nc1cccc(CN2CCSCC2)c1 97103172 PCVLGZNFGMWXLD-UHFFFAOYSA-N 300.449 1.997 0 40 DDAB Cc1ncoc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 72310042 GMHUCEVABSNDRE-HNNXBMFYSA-N 315.373 1.786 0 40 DDAB C[C@H]1CN(CC(=O)N2CCCCC2)CCN1c1nccs1 95351814 WJEDZZIWYRZXDS-ZDUSSCGKSA-N 308.451 1.666 0 40 DDAB COCCN(CCOC)C(=O)NCCCOCc1ccco1 95351158 TVZHNSXDCYMISR-UHFFFAOYSA-N 314.382 1.491 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)[C@@H](O)Cc1ccccc1 95979341 DHWCXOPDOJDBNV-IMJJTQAJSA-N 313.401 1.554 0 40 DDAB Cc1cccc(N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 95959647 QKUKDKJVUPIXFU-UHFFFAOYSA-N 318.402 1.296 0 40 DDAB CN(C)C(=O)COc1cccc(C(=O)N(C)CC2(O)CCC2)c1 95940304 FXRSEAVNHIKGKL-UHFFFAOYSA-N 320.389 1.141 0 40 DDAB CN(CCCn1ccnc1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 89346111 YOTUDQUNDYOKCF-OAHLLOKOSA-N 318.421 1.380 0 40 DDAB CC(=O)Nc1cccc(NC(=O)N2CCSC[C@H]2CCO)c1 79110565 RALAMIGYSLNZHN-CQSZACIVSA-N 323.418 1.977 0 40 DDAB O=C(O)[C@@H](F)[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 1548600121 VCQVQWLTDJWSQP-NHYWBVRUSA-N 323.320 1.272 0 40 DDAB O=C(Nc1nnc(CCc2ccccc2)s1)c1nc[nH]n1 33737703 NLBCVSYACJNSAK-UHFFFAOYSA-N 300.347 1.694 0 40 DDAB O=CN(CCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 217389917 JSLHGWJYZIZQKK-CYBMUJFWSA-N 306.387 1.356 0 40 DDAB Cc1cc(C(=O)NCc2cnc(O)[nH]2)c(C)n1[C@H]1CCOC1 529405688 ZEMYQIRESVSWPC-LBPRGKRZSA-N 304.350 1.425 0 40 DDAB NCC(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 79412243 HRCSLWYDJNHBES-CQSZACIVSA-N 305.378 1.253 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)c1cn(C)nc1C 72385990 LFHRURZRVLTLCD-GFCCVEGCSA-N 323.422 1.676 0 40 DDAB O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1ccccc1 77920434 MRLQSVOUPNIMTH-ZDUSSCGKSA-N 320.295 1.753 0 40 DDAB COc1ccc(NC(=O)C[C@H](CN2CCCC2)C(=O)O)cc1 71279957 GVQMQTFDMJOTSB-GFCCVEGCSA-N 306.362 1.820 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H](C(=O)N(C)C)C(C)C)c(C)s1 32927507 IJWAPHVJGUFLBU-GFCCVEGCSA-N 318.464 1.756 0 40 DDAB O=C(c1ccncc1)N1CCCN(C(=O)C2CCCC2)CC1 73709373 CXNBSJSCZKOPOE-UHFFFAOYSA-N 301.390 1.946 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(F)ccc1F 45896203 FFZPPRIUUHFUQZ-LLVKDONJSA-N 307.260 1.413 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)c1cccn1C 75155109 KMOFJRNVPPBXEN-CYBMUJFWSA-N 312.366 1.485 0 40 DDAB Cn1ncc(N2CCN(c3ccccn3)CC2)c(Cl)c1=O 42666122 FQRAOSNVKYXPQD-UHFFFAOYSA-N 305.769 1.155 0 40 DDAB COc1ccc(-c2nc(C)cc(N3CCNCC3)n2)cc1OC 225321229 YJPXIYCGUJCTGO-UHFFFAOYSA-N 314.389 1.879 0 40 DDAB CCN(CC)C[C@H]1CN(c2ncccn2)Cc2nccn2C1 96188282 SXMPTHTXGPKTLT-CQSZACIVSA-N 300.410 1.651 0 40 DDAB CCOc1c(F)cccc1C(=O)N[C@H]1CCCC[C@H]1C(N)=O 96483084 NDZFDIOXBSVOFI-MFKMUULPSA-N 308.353 1.998 0 40 DDAB CCC(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 96208185 PIYHSGRLJFOKQO-CYBMUJFWSA-N 300.362 1.726 0 40 DDAB Cn1ncc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c1C(F)F 529703507 FFOJEXMSGASOPL-UHFFFAOYSA-N 313.333 1.935 0 40 DDAB Cc1cnc(N2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)nc1 96063670 XEHHHSIRWCZZQX-TXEJJXNPSA-N 315.402 1.450 0 40 DDAB O=C(COCc1nc(-c2ccncc2)no1)N1CCCCC1 96182059 RKRMVBUAQYEMPW-UHFFFAOYSA-N 302.334 1.661 0 40 DDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(CC1CC1)CC2 96059499 NUXQALZLXFAVSS-UHFFFAOYSA-N 313.405 1.377 0 40 DDAB CCN1CC(=O)NC[C@]12CCN(C(=O)Nc1ccccc1)C2 96238267 HWUMIXAXKPOTMH-INIZCTEOSA-N 302.378 1.115 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)ccc1F 96420320 BBZVEUHIIBZNRM-BXUZGUMPSA-N 308.353 1.740 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 96408560 NPQZRWNERDUHPM-LLVKDONJSA-N 324.427 1.665 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN(C)C)o1 96065759 AZSDHZPWLMTLHG-SQWLQELKSA-N 322.405 1.538 0 40 DDAB COCC(=O)N1CC[C@@]2(CC(=O)N(c3ccccc3C)C2)C1 96238632 HYNKIFCWFWWAIF-QGZVFWFLSA-N 302.374 1.597 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(S(=O)(=O)C1CC1)C2 96061792 MOKNHXYHMGILOM-UHFFFAOYSA-N 312.439 1.031 0 40 DDAB CCN1CCO[C@H](C(=O)N2Cc3ccccc3N(C)C[C@H]2C)C1 245343821 VVXNKDQERIAREE-PBHICJAKSA-N 317.433 1.574 0 40 DDAB CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2 247971267 UVTSIPSULCGULX-LBPRGKRZSA-N 315.366 1.394 0 40 DDAB Cn1cnc(C(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)c1 257311201 UIJGWMUYPRPDRC-LBPRGKRZSA-N 310.361 1.711 0 40 DDAB CC(C)CCn1cnc2ccc(NC3=CC(=O)NC3)cc2c1=O 524735039 QDDTWIKLRARGGS-UHFFFAOYSA-N 312.373 1.868 0 40 DDAB C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1Cl 252586078 NIYDPBGKENSXOW-NEPJUHHUSA-N 321.808 1.974 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2nccn2C)n1 257259257 KXNKEGWDOHXGJD-GFCCVEGCSA-N 302.382 1.134 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)C1 252581682 LOSBKNPCLMGGIA-ODXJTPSBSA-N 300.424 1.072 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ccon2)n1 257280461 OKZFWKYADDHZFN-CQSZACIVSA-N 315.333 1.078 0 40 DDAB CC[C@@](NC(=O)c1ccc(OC)nn1)(C(=O)O)c1ccccc1 262399789 JVOPWAQXJHVXMI-INIZCTEOSA-N 315.329 1.605 0 40 DDAB CCc1ccc(NS(=O)(=O)c2ccnn2CC)c(C(=O)O)c1 274473107 WCSBVWQNGIUYSD-UHFFFAOYSA-N 323.374 1.964 0 40 DDAB Cn1cc(-c2noc(CNC(=O)c3cc4ccccc4[nH]3)n2)cn1 390831057 PILAIXVGJYSEEE-UHFFFAOYSA-N 322.328 1.881 0 40 DDAB CCCCc1ncc(CN2CC[C@@H](OC)[C@H](CC(=O)NC)C2)[nH]1 585276632 OMTREWAVXPJUSM-UKRRQHHQSA-N 322.453 1.725 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@]3(CCCO3)C(=O)C2)on1 585288634 GBPOCNQFWKREAK-MRXNPFEDSA-N 306.362 1.837 0 40 DDAB COCc1nnc2n1CCN(Cc1cccnc1OC)[C@@H](C)C2 585098724 XYPHKHIDFYZLOT-LBPRGKRZSA-N 317.393 1.275 0 40 DDAB Cc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCC1 585141329 UARJXIYCUDUCGA-UHFFFAOYSA-N 303.284 1.629 0 40 DDAB CN(C)c1ccnc(NC(=O)N2CCC(O)(C3CCC3)CC2)n1 930736315 INEKXHVSWXCPMI-UHFFFAOYSA-N 319.409 1.702 0 40 DDAB Cc1cc(C)cc(N(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 55897753 DQWSZSGKMULMSI-CQSZACIVSA-N 324.446 1.938 0 40 DDAB NC(=O)CN1CC[C@@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 72383562 PPPLIWQMZJZMPJ-SNVBAGLBSA-N 316.340 1.029 0 40 DDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 96098101 XVKBTFDFHGPNPS-VIFPVBQESA-N 323.823 1.148 0 40 DDAB Cc1ccc(OC[C@]2(O)CCN(Cc3cn(C)cn3)C2)cc1 1615192916 ZSFZKQQDNCZWPP-KRWDZBQOSA-N 301.390 1.744 0 40 DDAB CCOc1ccc(NC(=O)CSc2cnnc(O)n2)cc1 15831106 IVSTZPHCTBPZFC-UHFFFAOYSA-N 306.347 1.707 0 40 DDAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccncc3)C2)n1 19594324 LLMCREYUOLGNJU-CQSZACIVSA-N 314.389 1.691 0 40 DDAB Cc1c(CN2CCO[C@](C)(C(=O)NC3CCCC3)C2)cnn1C 19747007 HGBBTAFSAIBYCD-KRWDZBQOSA-N 320.437 1.378 0 40 DDAB Cc1ncc(CN2CCC(CC(=O)N3CCOCC3)CC2)s1 19748383 YTZGUDPHIZOWEB-UHFFFAOYSA-N 323.462 1.912 0 40 DDAB Cn1cc(CN2CCOC[C@](O)(COc3ccccc3)C2)cn1 643914664 VJEWEMATQQWFJG-KRWDZBQOSA-N 317.389 1.062 0 40 DDAB CCc1cnc(N2CCN(c3nccc(N(C)C)n3)CC2)nc1 1888854717 WNBYZAAGESZZGR-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888856886 UWOPLGIFHFPOFS-PHIMTYICSA-N 301.375 1.142 0 40 DDAB Cn1cc(C(=O)NC[C@](O)(c2ccoc2)c2cccs2)nn1 240178527 YZBDBUDDSKQMLR-AWEZNQCLSA-N 318.358 1.136 0 40 DDAB O=C(c1cc[nH]n1)N1CCC[C@](O)(COc2ccccc2)CC1 2037913159 WKPHXCMPRGLBJK-QGZVFWFLSA-N 315.373 1.846 0 40 DDAB Cn1ccc(CC(=O)N2CCC3(CC2)CC(N2CCCC2)C3)n1 1565542078 LBDBNVQEQSLPSI-UHFFFAOYSA-N 316.449 1.830 0 40 DDAB CNC(=O)[C@H]1CCO[C@H]2CCN(Cc3ccccc3F)C[C@@H]21 1565539276 VYTQFGBTLPSURW-LZWOXQAQSA-N 306.381 1.799 0 40 DDAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)N(C)C)OC[C@H]3C2)n[nH]1 1565543324 WUBUWRUGKZJLJH-YUELXQCFSA-N 306.410 1.033 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccc(C)s2)C1 2055772255 ONLWHROZIGWFMP-INIZCTEOSA-N 318.446 1.990 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](n2ccnn2)C1 206926609 NGCCMTJHDIYSRE-OHVSUOQFSA-N 312.329 1.494 0 40 DDAB C[C@H](C(=O)O)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 12086497 ICBAGNCLXBDYLD-PIGZYNQJSA-N 317.341 1.876 0 40 DDAB CN(C)CC(C)(C)CNc1cn[nH]c(=O)c1Br 40040157 OEUYOEBRVDMLSM-UHFFFAOYSA-N 303.204 1.532 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(C)cc1 24488004 NSDNFOMOBCNORQ-CYBMUJFWSA-N 315.329 1.525 0 40 DDAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@@H](O)CN1 37799180 KPLWXCKVYWMOIU-BXKDBHETSA-N 303.189 1.675 0 40 DDAB CCOc1ccc(-n2ncc(C(=O)NC(C)(C)C)c2C)nn1 55275852 WIGXSYZPMBMBDA-UHFFFAOYSA-N 303.366 1.898 0 40 DDAB O=c1c2ccccc2cnn1Cc1nnnn1-c1ccccc1 78387262 IDJNHEMVCHWAAR-UHFFFAOYSA-N 304.313 1.421 0 40 DDAB CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(C(=O)O)cc1 78824791 IZYXEXKJEARUIZ-UHFFFAOYSA-N 322.361 1.916 0 40 DDAB CN1CC[C@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O 55696660 AFISGBSHTBKTTM-ZDUSSCGKSA-N 312.373 1.357 0 40 DDAB Cc1cc(N(C)Cc2ccccc2N2CCOCC2)nc(N)n1 43533497 ZTIZXXVOXIDBMA-UHFFFAOYSA-N 313.405 1.840 0 40 DDAB COc1ccc(CCNC(=S)N2CCCC[C@@H]2C(N)=O)cc1 7735973 CEWLQMYLHLIRPX-CQSZACIVSA-N 321.446 1.452 0 40 DDAB O=C(c1ccoc1)N1CCN(c2nnnn2-c2ccccc2)CC1 26715443 FYQKFZNTDWLKFX-UHFFFAOYSA-N 324.344 1.218 0 40 DDAB C[C@](O)(CNC(=O)[C@H]1Cc2cc(F)ccc2O1)C(F)(F)F 89900651 CEFRNWBVZNLCCI-PWSUYJOCSA-N 307.243 1.559 0 40 DDAB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 100177866 YPMCPCGCEKYSIB-GASCZTMLSA-N 319.405 1.641 0 40 DDAB CCN1CCN(C(=O)[C@@H](C)Nc2ccc(OC)cc2OC)CC1 3349025 LFGIQSMREMPPEE-CYBMUJFWSA-N 321.421 1.668 0 40 DDAB C[C@H](NC(=O)NC1CCC(O)CC1)c1ccc2c(c1)CC(=O)N2 89905040 BMZDVHRLYUVUCQ-FNBIGBAISA-N 317.389 1.845 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(C)c2)n1 57316286 LXHSGIDETCASEP-UHFFFAOYSA-N 318.406 1.908 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCc1nc2ccccc2s1 44868543 IWYWPYWFRHTTBH-LBPRGKRZSA-N 303.387 1.923 0 40 DDAB COCCCNC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354011 YVICHNNSZYGWTG-UHFFFAOYSA-N 303.717 1.789 0 40 DDAB Cc1cc(N)n(C(=O)c2cn(CCN(C)C)c3ccccc23)n1 58227775 AWCFRAMXXNNZLD-UHFFFAOYSA-N 311.389 1.979 0 40 DDAB COc1ccc(C(=O)N2CCC(C(=O)NC(C)C)CC2)c(O)c1 58218261 XMHQQOAEMZGIRK-UHFFFAOYSA-N 320.389 1.778 0 40 DDAB C[C@@H](C(N)=O)N1CCO[C@H](c2cccc(Br)c2)C1 58210588 HFINPXRMAWWZBB-CABZTGNLSA-N 313.195 1.696 0 40 DDAB O=C(NCCc1ccccc1Br)c1ccc(O)nn1 58295754 JMMGNVGYGOFHHR-UHFFFAOYSA-N 322.162 1.917 0 40 DDAB CCCCOc1ncccc1CNC(=O)NCc1nncn1C 58293902 XDKNSAWOXCZUKG-UHFFFAOYSA-N 318.381 1.388 0 40 DDAB CCOc1ccccc1C(=O)OCc1nc(N)nc(N(C)C)n1 10391165 VTGMKBQMPGLKNK-UHFFFAOYSA-N 317.349 1.276 0 40 DDAB Cc1noc([C@H](C)NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)n1 58315421 YRKVVFVQIMFOSP-RVBZMBCESA-N 303.318 1.784 0 40 DDAB CC(C)OCCCNC(=O)CC1(Cn2cnnn2)CCCCC1 36366115 CSSSBRZGIFTBEW-UHFFFAOYSA-N 323.441 1.945 0 40 DDAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2cccs2)CC1 20612601 RBNHMCUZZUVTBD-CYBMUJFWSA-N 322.430 1.896 0 40 DDAB CCCCOC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 21822437 VIJTVDMIKUQVIS-UHFFFAOYSA-N 320.389 1.914 0 40 DDAB CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 37263431 BQAVTADNLJNFMQ-NSHDSACASA-N 311.179 1.938 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(F)cc1 12784971 YXLAOIBWTXPOOL-JTQLQIEISA-N 304.373 1.852 0 40 DDAB CC(=O)N(CCCNC(=O)Cn1nnc2ccccc21)C(C)C 48317187 DAVDFFRMWCUGJB-UHFFFAOYSA-N 317.393 1.195 0 40 DDAB O=C(/N=c1\cc(O)n(-c2ccccc2)[nH]1)NC(=O)c1ccccc1 48311284 CQCYUMXJHRICLZ-UHFFFAOYSA-N 322.324 1.962 0 40 DDAB COc1ccc(S(=O)(=O)O)cc1I 107925308 GZUXDTWOQJTSBJ-UHFFFAOYSA-N 314.100 1.547 0 40 DDAB CCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1 3423055 JCBLLUPBYIOEBL-UHFFFAOYSA-N 304.331 1.647 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)c(Cl)c1 12905557 KCCXMMYHAPVQCV-UHFFFAOYSA-N 304.799 1.357 0 40 DDAB O=C1CCCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2N1 21531983 WLADOSPECDTMDI-LBPRGKRZSA-N 324.402 1.419 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCNCC1 38478372 VFGHUGDKTSBANT-CHWSQXEVSA-N 309.207 1.984 0 40 DDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63811458 VMYMATMCUCNZFV-SSDOTTSWSA-N 321.358 1.679 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCNc1cnccn1 65393949 JHSPYAQGQVJCEM-XHDPSFHLSA-N 314.345 1.233 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccccc2)n1 65415522 ATLXXLKZPPOSNX-UHFFFAOYSA-N 301.346 1.862 0 40 DDAB CO[C@H]1CCCN(c2cc(N3CCC[C@@H](OC)C3)ncn2)C1 95946004 AIIQTTGIYSQCOA-OKILXGFUSA-N 306.410 1.707 0 40 DDAB Cc1cnn(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 71819829 XSFFGQSXBGVPDG-UHFFFAOYSA-N 322.409 1.661 0 40 DDAB O=C(CCNC(=O)c1ccsc1)NC1(C(=O)O)CCCCC1 71802809 UDYSEKDMNWJPQE-UHFFFAOYSA-N 324.402 1.772 0 40 DDAB CC(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 14230449 FSWSRFQZKACACI-MRVPVSSYSA-N 323.418 1.437 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2ccccc2=O)c1C 14214449 DBFCBKYMJLYQQN-UHFFFAOYSA-N 302.330 1.853 0 40 DDAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)n[nH]c1=S 4690512 IORRMUWIUCPEEK-UHFFFAOYSA-N 306.347 1.619 0 40 DDAB CN(C)C(=O)Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cn1 66382388 VQEUSRHIHDQDAS-GJZGRUSLSA-N 312.373 1.714 0 40 DDAB CCc1noc(C)c1C(=O)NCc1ccc(S(C)(=O)=O)cc1 95954209 QFJWKJJRNHFGDE-UHFFFAOYSA-N 322.386 1.879 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)Nc2nncn2C)cc1 95943980 SLOOIWXENFCHCH-UHFFFAOYSA-N 302.334 1.815 0 40 DDAB CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cn1 95989295 CXARCVYGMDXOFI-LBPRGKRZSA-N 300.366 1.633 0 40 DDAB O=C(NCc1ccco1)c1cn(Cc2ccc(F)cc2)nn1 67264121 BGBOBTBHIAQISL-UHFFFAOYSA-N 300.293 1.989 0 40 DDAB O=C(Cn1cc(-n2cccc2)cn1)N1CCC2(CC1)OCCO2 90192196 JXTZLHYOFRTESI-UHFFFAOYSA-N 316.361 1.039 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2ccccc2)C1=O 26848281 NPMAVHPVGASXHN-CQSZACIVSA-N 307.375 1.530 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)O[C@@H](C)C(N)=O)c(C)n2n1 7672732 RGVOUHGBBQTZQM-NSHDSACASA-N 304.350 1.004 0 40 DDAB COc1ccc(CN(C)C(=O)Cn2ccsc2=N)cc1OC 8150679 VXHDMCWUPKTVNR-UHFFFAOYSA-N 321.402 1.705 0 40 DDAB Cc1ccccc1CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269114 ASFVRQUBFYFBPU-IAGOWNOFSA-N 302.418 1.595 0 40 DDAB O[C@@H](CNCCn1cccn1)CO[C@@H]1CCCc2ccccc21 72254036 LILPTWXYJDHBLD-FUHWJXTLSA-N 315.417 1.928 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Cl)cc1 8395609 UHCKQINUDHTCGE-ZCFIWIBFSA-N 324.797 1.809 0 40 DDAB Cc1ccc(N2CCCN(C(=O)COC3CCCC3)CC2)nn1 69739154 SEXYXNFGNJABAT-UHFFFAOYSA-N 318.421 1.783 0 40 DDAB CC(C)c1nc2c(n1C)CCN(C[C@@H](O)Cn1cccn1)C2 69742604 FHPYRXZGGLBEAY-CYBMUJFWSA-N 303.410 1.159 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ncccc1C(F)(F)F 92496506 COTSLANLDCTGLX-QMMMGPOBSA-N 313.279 1.594 0 40 DDAB CCn1cc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)cn1 89305808 VOFJRIQYULXOOF-GFCCVEGCSA-N 310.361 1.975 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 92569842 NPZBXNMNGBZICP-GHMZBOCLSA-N 316.448 1.392 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC 9113651 PPOZWQSWBGSSFB-SECBINFHSA-N 322.365 1.300 0 40 DDAB COC(=O)C[C@H](C)c1nc(CC(=O)N(C)c2ccccc2)no1 97377679 SMADPGSARFUHKG-NSHDSACASA-N 317.345 1.942 0 40 DDAB Cc1cccc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)n1 97378779 NBXYFMVAXIXZMT-CYBMUJFWSA-N 300.366 1.926 0 40 DDAB Cc1nnc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)s1 95467297 PJEFEHGKZOWXOX-SNVBAGLBSA-N 320.349 1.521 0 40 DDAB O[C@@H](COC1CCOCC1)Cn1nccc1-c1ccncc1 95438832 UYULJFXBFBAZSX-CQSZACIVSA-N 303.362 1.502 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 95465216 YEYFUTBFZQFFOJ-SNVBAGLBSA-N 303.337 1.905 0 40 DDAB Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccc(=O)[nH]n1 89544853 NLXXXHXGFGCTPO-UHFFFAOYSA-N 315.377 1.669 0 40 DDAB CCO[C@H](C)c1noc(CN(CCO)Cc2cccnc2)n1 75110127 RITGNXXTLHHGEV-GFCCVEGCSA-N 306.366 1.557 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(c3ncnc4c3CCC4)CCO2)n1 75128671 JLENNMDOHJFKIX-ZDUSSCGKSA-N 314.393 1.079 0 40 DDAB O=C(NCc1ccoc1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834822 BZXINOPHQOBRLT-HNNXBMFYSA-N 314.341 1.323 0 40 DDAB O=C(NCc1ccco1)c1c(O)n2c3c(cccc3c1=O)CC2 1322800 GPHHZMNKWMBHKP-UHFFFAOYSA-N 310.309 1.786 0 40 DDAB biogenic Cc1ccccc1OCC(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 238874780 NTTXOXCTPSHYOJ-BMFZPTHFSA-N 305.374 1.827 0 40 DDAB Cc1cc(O)nc2cc(NC(=O)CCCn3cnnn3)ccc12 524735205 GFBACRAXXVVJHW-UHFFFAOYSA-N 312.333 1.654 0 40 DDAB Cc1cc(C)cc(NC(=O)C(=O)NCCCc2nc(C)no2)c1 77837334 BUHMTZKXVZUHOG-UHFFFAOYSA-N 316.361 1.682 0 40 DDAB NCC(=O)N1CCC(CN(Cc2ccccc2)C2CC2)CC1 79391058 OUECZEZLSXSEQZ-UHFFFAOYSA-N 301.434 1.848 0 40 DDAB CCOCCCN1CC[C@H](NC(=O)c2cccn2C)[C@H](C)C1 79361190 ZHZYNXXOKJSDSE-CABCVRRESA-N 307.438 1.892 0 40 DDAB CCCNC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 36593778 UYOLYIGJKCXQCP-CQSZACIVSA-N 317.389 1.660 0 40 DDAB O=C(c1cccnc1)N1CCC(c2n[nH]c3nccnc23)CC1 72351199 WLZKLMPEBJMTOL-UHFFFAOYSA-N 308.345 1.768 0 40 DDAB CC(=O)N1CCC[C@@H]1c1ccnc(-c2ccc(C(N)=O)cc2)n1 72379410 BCYJFIBNUIXUSV-OAHLLOKOSA-N 310.357 1.926 0 40 DDAB CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241311 NOIIDLBTKYZCIE-ZIAGYGMSSA-N 310.781 1.763 0 40 DDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1 71980112 HPNRAFHGUNIXQD-CQSZACIVSA-N 318.373 1.424 0 40 DDAB Cc1cn[nH]c1[C@@]1(C)CCCN(S(=O)(=O)c2cnn(C)c2)C1 72388854 UMRHSPDGKXCTPR-AWEZNQCLSA-N 323.422 1.194 0 40 DDAB C[C@@H]1CN(C)C[C@H](c2nc(Cc3cccc(C(N)=O)c3)no2)O1 527544163 ZRJZHWCYDRKMIC-ZWNOBZJWSA-N 316.361 1.151 0 40 DDAB CCc1ncc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cn1 226082093 FBJICXLMXCXKJT-INIZCTEOSA-N 302.378 1.935 0 40 DDAB COCCN1CCC(NC(=O)[C@H](C)Oc2ccccc2)CC1 85467951 RHBMHACDZOWRLP-AWEZNQCLSA-N 306.406 1.681 0 40 DDAB C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](C)N1CCc2ccccc21 135512175 IVWQTGILYIVQSU-DVOMOZLQSA-N 324.446 1.534 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)c1cnc(-c2ccccc2)nc1 96404912 NQCMBBPONABRTE-HNNXBMFYSA-N 324.384 1.740 0 40 DDAB CCOC(=O)c1nn(-c2cccnc2)c(N)c1Br 95094642 JWVFKDPGJBEPOT-UHFFFAOYSA-N 311.139 1.789 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)no1 96043239 UBGWREGVSJRGFN-GLQYFDAESA-N 305.378 1.241 0 40 DDAB O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1n[nH]c2c1CCC2 96344349 IYOACTFZIFFILK-WFASDCNBSA-N 302.422 1.893 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCCC(=O)N2C)C1 96229703 PTSZHDFIPAMSNO-INIZCTEOSA-N 305.378 1.909 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)c3ccc(C)cn3)CC2)CN1C 96206566 AAMKHXWFNJTLSM-HNNXBMFYSA-N 317.433 1.963 0 40 DDAB Cc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)o1 248128719 XTVKHFCIKKYRDV-GOEBONIOSA-N 314.389 1.716 0 40 DDAB Cn1cc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cn1 245266195 JCSPFTKWVWFTFV-MCIONIFRSA-N 305.378 1.597 0 40 DDAB Cn1cc(CN2CC3(C[C@H](Oc4cccnc4)CS3)C2)cn1 248091959 CGTAVJKQUJNZFY-HNNXBMFYSA-N 316.430 1.954 0 40 DDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2cccn2C)CCO1 257248523 JEAJVXIVWJMPKZ-ZDUSSCGKSA-N 315.377 1.095 0 40 DDAB CC(=O)N1[C@@H]2CN(C(=O)c3cccnn3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257223676 DYLFYSWYMLHVFT-PWXKEOIMSA-N 314.389 1.481 0 40 DDAB COc1cccc(C(=O)N2CC[C@H](n3nccn3)C2)c1OC 253473434 UWHVKVNZHGECET-NSHDSACASA-N 302.334 1.383 0 40 DDAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)C3CCC3)C2)ncn1 257319662 VTMZWPWMVHASIR-GFCCVEGCSA-N 316.405 1.417 0 40 DDAB O=C(c1cnccn1)N1CC2(CO[C@H](Cc3cccnc3)C2)C1 257231025 GEXBVNIOKJDBOG-CQSZACIVSA-N 310.357 1.345 0 40 DDAB Cc1nc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)co1 257319077 VQPHVXJOZJNPGB-INIZCTEOSA-N 316.361 1.139 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H]1O 257271217 MXJHBZFTZMIAGD-MGPQQGTHSA-N 317.382 1.375 0 40 DDAB C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NC[C@@](C)(O)c1cnn(C)c1 252581819 NGRCOUBCPIKWGJ-TWJWRFFLSA-N 308.426 1.752 0 40 DDAB CC1CCN(CC(=O)N2CCO[C@H](c3ccncc3)C2)CC1 257335346 YJTVLCWPCRSRIA-INIZCTEOSA-N 303.406 1.713 0 40 DDAB Cc1cccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)O)c1C 263020734 MDQULEAIJSWSML-CQSZACIVSA-N 317.345 1.154 0 40 DDAB Cn1nc(CNC(=O)c2cnc3ccccc3n2)c2c1CCOC2 96103983 VKMVMTAOVONCQC-UHFFFAOYSA-N 323.356 1.366 0 40 DDAB CN1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 585112291 MYNWNYPXZLXSFP-AWEZNQCLSA-N 320.418 1.238 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 585111786 BSQWUYNZYRPPHB-CQSZACIVSA-N 305.426 1.844 0 40 DDAB COc1ccccc1CN1CCN(CCN2CCOC2=O)CC1 69528242 ZOEALFTXBXVADZ-UHFFFAOYSA-N 319.405 1.265 0 40 DDAB O=C(N1CCCCC1)N1CCN(Cc2nc(C3CC3)no2)CC1 29455777 MZVDDCFVTBSVRK-UHFFFAOYSA-N 319.409 1.671 0 40 DDAB CC(C)N(C)CCCNC(=O)c1nn(C)c(=O)c2ccccc12 44918958 FNBZKEDZLSMPQR-UHFFFAOYSA-N 316.405 1.394 0 40 DDAB c1ccc(-c2ccc(N3CCN(c4ccncn4)CC3)nn2)nc1 1776008579 HQPJMOIXTNSEPO-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB Cc1cc(C)c(CCNC(=O)N2CCO[C@H](C(N)=O)C2)c(C)c1 51689692 XAWLAKJHCATWER-HNNXBMFYSA-N 319.405 1.050 0 40 DDAB CS[C@@H]1CC[C@H](N(C)CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 247975097 IHKVUZUROZRKCY-XDQVBPFNSA-N 300.468 1.838 0 40 DDAB Cc1noc(COCC(=O)N[C@@H]2COc3c2ccc(C)c3C)n1 74565406 PGKNCYUDFXTBNQ-CYBMUJFWSA-N 317.345 1.761 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 83598423 ZNMDBVSHZGDGGE-ZDUSSCGKSA-N 302.371 1.188 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)c(=O)[nH]1 75120482 JXCONJCPMSGWDN-CYBMUJFWSA-N 311.385 1.864 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3c(CC)noc3C)CCO2)n1 83817421 KPJCRSBTURLZLY-LLVKDONJSA-N 319.365 1.440 0 40 DDAB Cc1cc(CN2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)no1 95402315 JWOCWVMRFNLBOX-CQSZACIVSA-N 317.393 1.950 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)COCc1ccccc1 1591090 BQPGTZDMUJNXJZ-CQSZACIVSA-N 311.337 1.860 0 40 DDAB Cc1n[nH]cc1C(=O)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19582305 BPRSQSDDWMANGL-GFCCVEGCSA-N 310.317 1.750 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2ccc(C(F)(F)F)cc2)[C@@H]1O 643585558 SLWDSJKQLQRRTB-BNOWGMLFSA-N 319.323 1.817 0 40 DDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4nccs4)C[C@H]3C2)c1 1888855911 WHYGCXXGYMOXMQ-GHMZBOCLSA-N 303.391 1.085 0 40 DDAB O=C(N1CCOCC1)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889128728 SWIFAFFYXWZUIX-KBPBESRZSA-N 302.378 1.044 0 40 DDAB Cn1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cn1 24015642 XZFSKENNDDGCMQ-CQSZACIVSA-N 313.336 1.812 0 40 DDAB O=C(c1cc[nH]c1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 1565549671 YWYUEJXHQZCRQL-RRFJBIMHSA-N 317.389 1.114 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2ncnc(-c3cccnc3)c2C1 1565555758 GXQJHDPNZMSJPZ-ZDUSSCGKSA-N 310.357 1.460 0 40 DDAB O=C(Nc1nc2cc3c(cc2s1)OCO3)C1=COCCO1 4325851 ZLBALECABDZFAP-UHFFFAOYSA-N 306.299 1.852 0 40 DDAB Cc1ccccc1CSc1nc2c(cnn2CCO)c(=O)[nH]1 7418012 SRUUDVBLKYRCNU-UHFFFAOYSA-N 316.386 1.713 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](Nc1ncccn1)CC2 2055739414 WWGVKRUWZANLBK-JTQLQIEISA-N 301.350 1.572 0 40 DDAB Cc1cc(CN2CCC[C@@](C(=O)N(C)C)(n3ccnc3)C2)no1 2055771883 GRKVQKUAGFOFEW-MRXNPFEDSA-N 317.393 1.259 0 40 DDAB CCc1nccn1CC1CN(c2ccc(S(C)(=O)=O)cc2)C1 2086865029 BTFCCXPUWZUVNV-UHFFFAOYSA-N 319.430 1.985 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2cnn(C)c2)[C@H](C)C1 2298031328 OSNZIWMMLSNQEU-GFCCVEGCSA-N 303.410 1.731 0 40 DDAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2[nH]cnc12 36569382 GKAZDIDTEUPDLX-GFCCVEGCSA-N 322.328 1.942 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCO[C@H]2CCCC[C@@H]21 40149708 VXQHMLUKKZXMPJ-HOCLYGCPSA-N 323.414 1.954 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COC[C@@H]1CCCO1 40462768 PUHBRKNNQQZDTG-GJZGRUSLSA-N 323.389 1.404 0 40 DDAB CN(C(=O)CCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 40498780 GFIBGWLQXUIPIR-LBPRGKRZSA-N 315.366 1.240 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2CCS(C)(=O)=O)c1 40465911 QSTXERJRNCEANS-AWEZNQCLSA-N 313.419 1.885 0 40 DDAB NC(=O)COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 31317906 DFAIDKQLXDKHKP-UHFFFAOYSA-N 305.330 1.298 0 40 DDAB CCc1ccccc1NC(=O)CSc1nc(=O)[nH]nc1C 31773522 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CCOC(=O)Cn1cnc2ccc(Br)cc2c1=O 949498 TYZQSWMTCKNXMX-UHFFFAOYSA-N 311.135 1.722 0 40 DDAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc(F)c1 52833820 FUZFCNSDQSCHMC-UHFFFAOYSA-N 301.325 1.822 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 52832043 BCPHHJZPJLITDY-KRWDZBQOSA-N 321.396 1.590 0 40 DDAB CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 3248294 JHCUVIITMWAMET-UHFFFAOYSA-N 302.286 1.435 0 40 DDAB Cc1cc(N2CCN(C(=O)CCC(C)C)CC2)n2ncnc2n1 24766169 BWPRUEQZFYVROJ-UHFFFAOYSA-N 316.409 1.518 0 40 DDAB COCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 3006007 REAXJGIYPPTNBZ-UHFFFAOYSA-N 321.764 1.326 0 40 DDAB O=C(NCCOc1cccc2cccnc12)c1ccc(O)nn1 4626507 MYIIMDNBKNTWKJ-UHFFFAOYSA-N 310.313 1.539 0 40 DDAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)CC1CCCCC1)CCC2 96002889 GZAQNYLTPGKWBR-AWEZNQCLSA-N 318.421 1.832 0 40 DDAB CC[C@@](C)(c1nnnn1-c1ccc(OC)cc1)N1CCOCC1 35622528 IYVQUMNNBLAASH-INIZCTEOSA-N 317.393 1.628 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 10302456 IQCKBPQGMYHMDX-HNNXBMFYSA-N 324.446 1.707 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccccc1 58158335 MKKUGQXRBPXYBQ-OCCSQVGLSA-N 304.346 1.243 0 40 DDAB OCCn1ncc2c(NCc3cn4ccccc4n3)ncnc21 97200064 QBKIIPSQDIZSGS-UHFFFAOYSA-N 309.333 1.078 0 40 DDAB O=C(NCc1ccc(CN2CCCC2)cc1)N1CCC[C@H](O)C1 72482419 HVTVEZMRSOHCEM-KRWDZBQOSA-N 317.433 1.949 0 40 DDAB CNC(=O)C1(NC(=O)CSCc2ccccn2)CCCCC1 58293632 KKCYYVFBPPXUDY-UHFFFAOYSA-N 321.446 1.880 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)C2CC2)c1 44934051 MACJXFQXZQLDJI-JTQLQIEISA-N 311.407 1.192 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)c1 44907960 OCPGTPUOOWKEEV-LBPRGKRZSA-N 319.386 1.037 0 40 DDAB CO[C@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cnnn2)cc1 58378399 AZBZWDKKARFDPB-UONOGXRCSA-N 302.334 1.777 0 40 DDAB CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(=O)OC)cc2)C1 58324351 CXUDTUQNVPXZQU-AWEZNQCLSA-N 318.373 1.604 0 40 DDAB CC(C)CN1C[C@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 95349562 JIBSBUZIUCNOIZ-GFCCVEGCSA-N 310.394 1.395 0 40 DDAB COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(OC)c1 2406467 WPTIPNFSJICZEU-VZUCSPMQSA-N 323.326 1.825 0 40 DDAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(N)CC1 2451393 HXUYCWOUSGFQNL-UYSNPLJNSA-N 318.417 1.795 0 40 DDAB CCOC(=O)N1C=C[C@H]2[C@H](CC(=O)OC)[C@@H]2N1C(=O)OCC 104122673 CZCLSKFSHRSIQZ-JBLDHEPKSA-N 312.322 1.523 0 40 DDAB C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)CCC(=O)N2 45986114 AFQOZDKULWDIRM-VHSXEESVSA-N 324.402 1.182 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100081045 PGPWXNDTKMGRJR-GVAFMPQTSA-N 310.353 1.741 0 40 DDAB CNC(=O)CC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 74515528 WAKHKPWXMCVJLZ-QGZVFWFLSA-N 317.433 1.664 0 40 DDAB NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F 89107884 UCPHHJJRNBWXBF-SKDRFNHKSA-N 304.362 1.761 0 40 DDAB O=C(NCc1cccnc1)c1nc(Cn2cc(Cl)cn2)no1 12374819 MRMUWOXTXRTZEZ-UHFFFAOYSA-N 318.724 1.293 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)c1 85975948 UOVRGVMHKJMDDR-YPMHNXCESA-N 313.375 1.214 0 40 DDAB Cn1cnnc1S(=O)(=O)Cc1csc(-c2ccccc2)n1 47623009 OUALYWYNSYMPJT-UHFFFAOYSA-N 320.399 1.913 0 40 DDAB COc1ccc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1F 102805133 ISAGGXBSSYZUHM-TXEJJXNPSA-N 317.316 1.968 0 40 DDAB Cc1csc(CNC(=O)N2CCN(c3cnccn3)CC2)n1 48290624 NFPQUBJGCAQHMP-UHFFFAOYSA-N 318.406 1.273 0 40 DDAB CCOC(=O)c1ccc(N2CCC(N3CCNC3=O)CC2)nc1 48367948 GJXJIZFWJIFBCY-UHFFFAOYSA-N 318.377 1.252 0 40 DDAB C[C@]1(NC(=S)Nc2cccc(O)c2)CCS(=O)(=O)C1 5024906 XZMRMYIOMHPPHH-LBPRGKRZSA-N 300.405 1.256 0 40 DDAB CCOc1ccc(CCNc2nc(=O)[nH]nc2C)cc1OCC 5009563 MQZBQHOGDRHWHG-UHFFFAOYSA-N 318.377 1.925 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1c[nH]nc1-c1cccnc1)CC2 65552958 VMAPWCRHWTZJHD-AWEZNQCLSA-N 309.377 1.476 0 40 DDAB CC[C@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)[nH]c1=O 14136264 BAESWJYCGCVTLZ-NSHDSACASA-N 319.386 1.134 0 40 DDAB CCCNC(=O)CNC(=O)C(C)(C)c1ccc(OC)c(OC)c1 84756484 HXVRVSSQYPDWEI-UHFFFAOYSA-N 322.405 1.624 0 40 DDAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nncs1 5776610 FUZDRARXOXTIJP-SECBINFHSA-N 306.372 1.980 0 40 DDAB CC(C)[C@H](C(=O)NC[C@@H](O)Cc1ccccc1)N1CCCC1=O 71856880 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Cc1noc(C)c1[C@@H](C)NC(=O)NCCNC(=O)C1CCCC1 72283360 HOECEMPJGKYUNS-SNVBAGLBSA-N 322.409 1.958 0 40 DDAB O=C(CCc1cccs1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269119 GMXFKUYGWVXPNH-LSDHHAIUSA-N 308.447 1.738 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)n1 72279961 RQWLREHNKBSOJN-CABCVRRESA-N 318.421 1.407 0 40 DDAB Cc1nn2cccnc2c1C(=O)OCCOCC(F)(F)F 69658804 HNOLNGBYZHZMPP-UHFFFAOYSA-N 303.240 1.773 0 40 DDAB Cc1cccc(C[C@@H](CNC(=O)Cn2cccn2)C(=O)O)c1 97018770 LRHUDJTXFARHQO-AWEZNQCLSA-N 301.346 1.251 0 40 DDAB Cc1c(CNCc2ccc(N3CCOC3=O)cc2)cnn1C 97083983 IOSMRHHEVATXLQ-UHFFFAOYSA-N 300.362 1.975 0 40 DDAB CN(Cc1ccccc1Cl)Cc1cc(=O)n(C)c(=O)n1C 8769469 HHPXEQXAGDYITD-UHFFFAOYSA-N 307.781 1.369 0 40 DDAB COc1ccc2nnc(CCC(=O)Nc3nc(C)cs3)n2n1 71285577 CJFVKVDZZJDGSR-UHFFFAOYSA-N 318.362 1.469 0 40 DDAB NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCCc1ccccn1 89883639 WZZWCHBXRWSOHD-CABCVRRESA-N 303.406 1.955 0 40 DDAB CCn1nc(C)cc1C(=O)OCCNC(=O)c1ccccc1 76090975 ORUPLXACBCXODP-UHFFFAOYSA-N 301.346 1.798 0 40 DDAB CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@@H](C)C1 179308929 VICUBJVYLOPWMF-RYUDHWBXSA-N 305.444 1.002 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 306144184 YYHULHROHOZPSG-CYBMUJFWSA-N 304.394 1.656 0 40 DDAB O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)o1 31553309 ATPRFCITKABNQI-UHFFFAOYSA-N 320.370 1.650 0 40 DDAB Cc1cc(C(=O)NC[C@@H](O)[C@H]2CCOC2)c2ccccc2n1 532145914 SSWLLQUZIBVRST-BLLLJJGKSA-N 300.358 1.670 0 40 DDAB COC(=O)C[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 74254063 DBHFRMWPGOKRMV-LBPRGKRZSA-N 301.346 1.613 0 40 DDAB O=S(=O)(NC1CCSCC1)c1cnn(-c2ccccn2)c1 76556548 SXRCIOJSTNKRMP-UHFFFAOYSA-N 324.431 1.441 0 40 DDAB Cc1cc(=O)cc(O)n1CCn1c([C@@H](C)O)nc2ccccc21 1547205985 NMBLXKLIYUOTBI-GFCCVEGCSA-N 313.357 1.966 0 40 DDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)o2)CC1 72241083 KGWSJUXEDPOPHW-OAHLLOKOSA-N 319.405 1.243 0 40 DDAB CCCCNc1ncc(CN[C@H](CCSC)C(=O)O)cn1 218770095 KBFZRHFNTLNBLL-GFCCVEGCSA-N 312.439 1.985 0 40 DDAB CC(=O)NC1CCN(c2ccc([C@H]3CCCN3C)nc2)CC1 72365383 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Cc1nc(CNC(=O)Cc2nc(-c3cccs3)oc2C)n[nH]1 69416407 QDZUCFJKZDEOSE-UHFFFAOYSA-N 317.374 1.997 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1 96049748 FRMQNLYFNOOFBE-KRWDZBQOSA-N 319.405 1.033 0 40 DDAB c1cnn(Cc2cnc3n2CCN(Cc2nccs2)CC3)c1 96196934 ODKSZPSUWTZEBK-UHFFFAOYSA-N 314.418 1.643 0 40 DDAB CC(=O)N[C@H]1CCN(S(=O)(=O)CCC2CCCCC2)C1 333493094 GWXJUMBZLWFKPE-AWEZNQCLSA-N 302.440 1.497 0 40 DDAB CN1CCN(C(=O)CCn2ncc3ccc(Cl)cc32)CC1 96181984 PXMFWZMYCNOWNV-UHFFFAOYSA-N 306.797 1.854 0 40 DDAB CCOC(=O)[C@H]1CN(Cc2ccccn2)Cc2ncn(CC)c21 96059370 KDYGKQHQBVGROK-AWEZNQCLSA-N 314.389 1.961 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2cn(C)nc2[C@@H](COC)C1 96044691 SPAGPJXCZGKCTG-CYBMUJFWSA-N 317.393 1.331 0 40 DDAB c1cnc(N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2cccnc2)nc1 96041725 QYPPYWPICQIWTQ-ARFHVFGLSA-N 312.373 1.825 0 40 DDAB Cc1ccc(CS(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 96064659 OICRZFSLQJJFDE-KBPBESRZSA-N 308.403 1.178 0 40 DDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC[C@H](CN(C)C)C1 97238764 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0 40 DDAB CC(=O)N[C@H]1CCOC2(CCN(c3cc(C)ncn3)CC2)C1 257242402 ICHUYMKWNCUAMT-AWEZNQCLSA-N 304.394 1.439 0 40 DDAB CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H](C)O[C@@H](C)C1 252581794 MIMDPZJKBBQEGW-INWHNSBXSA-N 316.467 1.885 0 40 DDAB Cc1noc([C@H](C)NS(=O)(=O)c2cc(F)c(F)cc2F)n1 69925437 XSIITVBCUABDPL-YFKPBYRVSA-N 321.280 1.835 0 40 DDAB NC(=O)c1cnc([C@H]2CCCN2C(=O)c2cccnc2)s1 257278759 ODODULYBNSKBAY-SNVBAGLBSA-N 302.359 1.614 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)CCn2ccnc2)n1 257305816 SRRBIVJNIKAZKM-ZDUSSCGKSA-N 300.366 1.469 0 40 DDAB CN(C(=O)Cc1cccnc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257227448 FPIMDXMZXCDETM-IIAWOOMASA-N 300.362 1.044 0 40 DDAB Nc1ncc(-c2cccc(C(=O)N3CCC(F)(F)CC3)n2)cn1 257308626 TXLDXJANNNPQKS-UHFFFAOYSA-N 319.315 1.992 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cscn3)CC[C@H]21 257220255 DKESFZYVNXZGIP-DZGCQCFKSA-N 323.462 1.993 0 40 DDAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCCN(c2cccnn2)CC1 70039984 LKIRABQNEKYKDS-KBPBESRZSA-N 312.373 1.912 0 40 DDAB c1ccc(-n2ccc(CN3CCO[C@@H](Cn4cncn4)C3)n2)cc1 70006383 GXUXVOMYUOWZDD-QGZVFWFLSA-N 324.388 1.365 0 40 DDAB O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(-n2ccnn2)c1 262724238 RMWHCGHNXHSRGS-NEPJUHHUSA-N 300.318 1.250 0 40 DDAB CC(C)(CNCc1nncn1-c1ccccc1)N1CCOCC1 585141169 QPTDRSMTDROBDN-UHFFFAOYSA-N 315.421 1.468 0 40 DDAB COc1ccc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)cc1 585104528 PAXUWYYUFDJBGR-KRWDZBQOSA-N 304.390 1.376 0 40 DDAB O=C1N(c2ncccn2)C[C@@]12CCCN(C[C@@H]1CCCO1)C2 585099373 HSKNBQARQBMTMN-BBRMVZONSA-N 302.378 1.084 0 40 DDAB Cc1ccc(OCCC(=O)NCCN2CCOCC2)c(C)c1 45169472 XECYGLWVUVFFRL-UHFFFAOYSA-N 306.406 1.521 0 40 DDAB CCc1nnsc1C(=O)NCCOc1ccc2c(c1)OCO2 40541328 XCKURZVFMPZARD-UHFFFAOYSA-N 321.358 1.638 0 40 DDAB CC1([C@H]2CCCN(C(=O)c3cnn4c3CCCC4)C2)OCCO1 97372523 KFVKQRRMRDBYBP-ZDUSSCGKSA-N 319.405 1.835 0 40 DDAB NC(=O)c1ccc2c(ccn2[C@@H]2CN(C3CCCC3)C[C@H]2O)c1 1615192552 WYMYLWGDYRBZOD-IAGOWNOFSA-N 313.401 1.900 0 40 DDAB O=C(c1cccc(-n2cccn2)c1)N1CC(Cn2ccnn2)C1 1775968168 LLXMZOKJKXMKFS-UHFFFAOYSA-N 308.345 1.236 0 40 DDAB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 5507702 BLARDQZXECGSBZ-JTQLQIEISA-N 304.346 1.846 0 40 DDAB COc1ccc(OC)c(C(=O)CSc2nc(N)cc(N)n2)c1 5084887 SMSRVEGTOLMPHQ-UHFFFAOYSA-N 320.374 1.633 0 40 DDAB C[C@@H](O)CN[C@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5258074 PDSSVCSVMJQBQL-IAQYHMDHSA-N 316.357 1.592 0 40 DDAB O=c1[nH]cnc2ccc(NC(=S)N3CCSCC3)cc12 5491297 UHTQLRNNOFNIEM-UHFFFAOYSA-N 306.416 1.669 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)cc1 13143625 AOTKQVSNWGAZGZ-AOOOYVTPSA-N 322.386 1.513 0 40 DDAB Cc1nc(CNS(=O)(=O)Cc2cccc(Cl)c2)no1 19286074 JCFNRDLSZDVETM-UHFFFAOYSA-N 301.755 1.651 0 40 DDAB Cc1nnn(-c2ccc(F)cc2)c1C(=O)Nc1nncs1 19554656 QYVWZYYFOHMEHA-UHFFFAOYSA-N 304.310 1.819 0 40 DDAB COc1ccccc1OCC(=O)NCCC1CCN(C)CC1 156366710 ZGUXEWCZNVMQNJ-UHFFFAOYSA-N 306.406 1.922 0 40 DDAB CC(C)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 180668 YVONJQWWDOMUSR-UHFFFAOYSA-N 319.409 1.460 0 40 DDAB CC[C@H](OC[C@H](O)CN1CCN(CCO)CC1)c1ccccc1 22465825 WONTZVDBJAIKFS-MSOLQXFVSA-N 322.449 1.125 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)cc1C 22584978 MYMNOJVNYMCIJQ-HNNXBMFYSA-N 319.405 1.333 0 40 DDAB CNC(=O)CN1CCC(NCc2c(F)cccc2Cl)CC1 30905484 HGNOZOMQAWDRPJ-UHFFFAOYSA-N 313.804 1.779 0 40 DDAB COCc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 5254129 JLTGDOIARLXFAW-UHFFFAOYSA-N 322.361 1.614 0 40 DDAB Cn1nnnc1S[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12261165 GLRLVCHTJOHNNJ-NSHDSACASA-N 307.354 1.461 0 40 DDAB COCC(=O)N1CCC[C@@H](N(C)c2ncnc(C(C)C)c2F)C1 1888843390 XHSOKSZRFQDOGA-GFCCVEGCSA-N 324.400 1.813 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Cl)cn2)C1)C1CC1 1889098696 SXHZFTJKCGNDCT-SNVBAGLBSA-N 316.814 1.181 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCC(n3nccn3)CC2)cc1 238920657 TUPCIVMCDHVLHF-UHFFFAOYSA-N 314.345 1.542 0 40 DDAB O=C(c1cn(-c2ccccc2)nn1)N1CCC2(CC1)OCCO2 32818157 JACPBQAVUVGRAS-UHFFFAOYSA-N 314.345 1.246 0 40 DDAB CCn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 9789599 NFAWTWIACUONRR-UHFFFAOYSA-N 310.313 1.628 0 40 DDAB CC(=O)Nc1nc(CC(=O)Nc2ccc(C(N)=O)cc2)cs1 16890622 PMRKJVDOOHLDCB-UHFFFAOYSA-N 318.358 1.382 0 40 DDAB COc1cn(CC(=O)Nc2cccc(F)c2)c(CO)cc1=O 12230764 PRTCFQBNMCAPEP-UHFFFAOYSA-N 306.293 1.127 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(O)cc1 34786 MDUROWBHWIAWDQ-CQSZACIVSA-N 320.345 1.288 0 40 DDAB CN(C)[C@@H](CNC(=O)c1ccn(C)c(=O)c1)c1cccs1 40496656 DFBWLEREWSEEPG-LBPRGKRZSA-N 305.403 1.480 0 40 DDAB COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)c(Cl)c1 40540023 AYTVVIPGHZBKOB-MRVPVSSYSA-N 323.773 1.404 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)NC[C@@H]3CCOC3)cnc12 40514288 MYNCLCGQQOCCQM-ZDUSSCGKSA-N 315.373 1.248 0 40 DDAB COc1cccc(N2CCN(Cc3nnc(C)n3C)CC2)c1 51426021 NECJMURWQOXLFK-UHFFFAOYSA-N 301.394 1.454 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2ccccc21 21278701 CKRVHMRNUWOLMO-UHFFFAOYSA-N 316.382 1.845 0 40 DDAB Cc1ccc(-n2nc(CO)c(C(=O)NCC(C)C)n2)cc1C 21149108 SLNRTSSLMLAADQ-UHFFFAOYSA-N 302.378 1.762 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCS(=O)(=O)C1 32784488 VSSRDLYWDHQBMC-LLVKDONJSA-N 317.794 1.194 0 40 DDAB NC(=O)[C@@H]1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1 52393836 AUYQNKOSVRHYSW-LLVKDONJSA-N 313.386 1.769 0 40 DDAB O=C(Cn1nnc(-c2cccnc2)n1)Nc1ccc(Cl)cn1 32810082 LFCIJKFVDRFYDL-UHFFFAOYSA-N 315.724 1.422 0 40 DDAB CNC(=O)COc1cccc(NC(=O)NCc2ccco2)c1 32912670 XWEJDQNIULUUFH-UHFFFAOYSA-N 303.318 1.726 0 40 DDAB NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 516038 BYNPGFIVUARTHU-UHFFFAOYSA-N 311.179 1.787 0 40 DDAB O=C1NCCCC[C@H]1Sc1nnnn1CCc1cccs1 10985500 KGSJJFICNVAPIW-LLVKDONJSA-N 323.447 1.738 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 219535 RYQFULUTYVUREJ-OAHLLOKOSA-N 322.430 1.243 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)[nH]n1 40480567 XOSXCPODOQLNRT-UHFFFAOYSA-N 314.389 1.529 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3[nH]2)C1 40494346 ZNMMROYIUOFRQB-SNVBAGLBSA-N 322.390 1.173 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cnn(-c2ccccc2)c1 40480511 VZXOZYPSWRRYHQ-UHFFFAOYSA-N 308.345 1.340 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 40597727 DEAOVPVQIMOIFS-GFCCVEGCSA-N 300.399 1.754 0 40 DDAB COCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 40512043 RKIXAMIHKAHDGN-NSHDSACASA-N 319.361 1.056 0 40 DDAB Cn1nc(CC(=O)Nc2nccs2)c2ccccc2c1=O 223666 VNVUKQXKZWOXEH-UHFFFAOYSA-N 300.343 1.571 0 40 DDAB CNC(=O)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 11643945 ZKDTVJNYJKPDRR-UHFFFAOYSA-N 302.330 1.872 0 40 DDAB COc1cccc(N2CCN(c3cc(C)nn4cnnc34)CC2)c1 4937187 WYAAYXPZJVXTQR-UHFFFAOYSA-N 324.388 1.768 0 40 DDAB c1cc2c(cc1C1=NNC(c3ccc4c(c3)OCO4)=NN1)OCO2 6513366 ZJEVGSILUXFVQM-UHFFFAOYSA-N 324.296 1.360 0 40 DDAB Cc1ccc(-c2noc(Cn3cnnc3[S@](C)=O)n2)cc1F 69349242 PYRUWKBZQIWJOO-JOCHJYFZSA-N 321.337 1.561 0 40 DDAB Cc1n[nH]c(NC(=O)/C=C(\Nc2nc(C)n[nH]2)C(F)(F)F)n1 101444465 WJDNLACYHVGJKQ-UTCJRWHESA-N 316.247 1.036 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(Cc3ccncc3)CC2)C1 108525784 NTRBKIBRCGHVSL-UHFFFAOYSA-N 309.435 1.375 0 40 DDAB O=C1C[C@@H](NCCc2c[nH]cn2)C(=O)N1c1cccc(Cl)c1 105331279 BSGOUTAVSXUANY-CYBMUJFWSA-N 318.764 1.527 0 40 DDAB CN(C(=O)Cc1noc2ccccc12)[C@@H]1CCS(=O)(=O)C1 32780716 MPNCBRNQHVWSTM-SNVBAGLBSA-N 308.359 1.016 0 40 DDAB COc1ccc(NC(=O)C[C@@H](NCC(C)C)C(=O)O)c(OC)c1 8235354 WLBNSOPZKRKYLD-CYBMUJFWSA-N 324.377 1.731 0 40 DDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cnc2ccccc2n1 8390862 PCEAUZILRPYOGQ-UHFFFAOYSA-N 317.312 1.858 0 40 DDAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cnc21 32820832 QRXWBOCBYIAKKN-SNVBAGLBSA-N 322.390 1.385 0 40 DDAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1 52608062 YDXUQQBUQWJKHR-UHFFFAOYSA-N 307.419 1.759 0 40 DDAB COc1ccnc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 89643798 UWHJJEJAEAKZRU-HUUCEWRRSA-N 314.389 1.533 0 40 DDAB Cc1ccc([C@@H](CNC(=O)NCC2(O)CCC2)N2CCCC2)o1 89652516 WPZWBQUIDWHDMD-CQSZACIVSA-N 321.421 1.939 0 40 DDAB Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1 89623586 OCMCQDPLVJQKEV-CQSZACIVSA-N 317.389 1.355 0 40 DDAB C[C@H]1CCCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)C1 539222 YQLJWCHZCSBMHY-JTQLQIEISA-N 313.448 1.763 0 40 DDAB C[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(N)=O 53473563 VPVGBYCYRMEQHZ-VIFPVBQESA-N 306.753 1.188 0 40 DDAB Cc1noc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 53669970 APDWGFSWKZFBJA-NSHDSACASA-N 308.363 1.341 0 40 DDAB Cc1c(C(=O)N2CCO[C@H](C)C2)sc2ncn(C)c(=O)c12 54134475 BQKKEEWPYGJOMJ-MRVPVSSYSA-N 307.375 1.164 0 40 DDAB C[C@]12[C@H]3[C@@H]4C[C@@]1(C)[C@@]2(C)[C@@H]3n1c(=O)n(-c2ccccc2)c(=O)n14 104290733 CTIJZJVAEPNQFT-CRZJXMIWSA-N 309.369 1.963 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)Cn1ccc(C(F)(F)F)n1 42501874 GQKYZRJXZLEOAS-SECBINFHSA-N 301.272 1.303 0 40 DDAB O=C(CSc1ccc(F)c(F)c1)NCC(=O)N1CCCC1 54829187 LORMQQCBRHMFQK-UHFFFAOYSA-N 314.357 1.796 0 40 DDAB CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C(N)=O)c1cccs1 43095367 LYTBDMPPPFTFAX-GHMZBOCLSA-N 310.423 1.010 0 40 DDAB CN(Cc1ccco1)C(=O)CN(C)c1ncnc2[nH]cnc12 47403132 BDHKPAUSUWWYMK-UHFFFAOYSA-N 300.322 1.041 0 40 DDAB C[C@H](O)CN1CCN([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1C 106929143 FVHYICHGGLCYRL-HRCADAONSA-N 311.470 1.164 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2nc(C)no2)CC1 56131656 WKVZZQRJFABHJM-CYBMUJFWSA-N 306.366 1.095 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2cccc(C(=O)O)c2)no1 35246922 OERLLHIQPHREBB-UHFFFAOYSA-N 310.331 1.502 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3n[nH]cc32)c(OC)c2c1OCO2 35324635 FIEFRHNIPGKXOI-ZETCQYMHSA-N 317.301 1.630 0 40 DDAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 1714944 HTIJIMPAAGOOKD-SNVBAGLBSA-N 302.371 1.215 0 40 DDAB biogenic COc1ccc(OC)c(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c1 35686136 HSUVOTGSMQPCCT-LBPRGKRZSA-N 317.363 1.091 0 40 DDAB CC[C@H]1CN(C(=O)CSc2nnc3ccccn23)CCO1 58281615 DFNHFJNGMUQXFV-NSHDSACASA-N 306.391 1.459 0 40 DDAB CCc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)s1 44955182 AEILBQMFNBIAQL-GFCCVEGCSA-N 311.451 1.830 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cncn2)cc1 58381306 JFWHOXRMQHXZRS-RISCZKNCSA-N 314.345 1.730 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N1CCC(Nc2ccccc2C)CC1 58324966 FGGCPKOVOGCIFW-ZDUSSCGKSA-N 318.421 1.715 0 40 DDAB CC(C)(CNC(=O)c1cccc2cn[nH]c12)N1CCOCC1 45042676 QAZVYTORAZCVGX-UHFFFAOYSA-N 302.378 1.404 0 40 DDAB COc1ccc(-c2nnc(CN3CC[C@H](C(N)=O)C3)o2)cc1 48035241 KGTVAWPDNSGPSY-NSHDSACASA-N 302.334 1.052 0 40 DDAB C[C@@H](C(=O)NCCc1ccc2ccccc2c1)S(C)(=O)=O 48218775 BAQJRJYMEKXIAS-LBPRGKRZSA-N 305.399 1.932 0 40 DDAB Cn1ccnc1[C@H](NC(=O)NCCCC(N)=O)c1ccccc1 48246420 SCBFQWXXGDGIDM-CQSZACIVSA-N 315.377 1.074 0 40 DDAB Cc1ccc(C(=O)OCc2nc(-c3cccnc3)no2)c(=O)[nH]1 62287248 XEWQIHNAZOCBLE-UHFFFAOYSA-N 312.285 1.485 0 40 DDAB Cc1cc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)n(C)n1 48326839 XPIGAQMNBDXDGU-UHFFFAOYSA-N 307.375 1.525 0 40 DDAB CC1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 3592688 IHXVXXPXHNROSC-UHFFFAOYSA-N 321.421 1.746 0 40 DDAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCNC(=O)C1 71280065 KIRGTWIVLJWFEM-UHFFFAOYSA-N 302.359 1.086 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)N(C)Cc2ccco2)c1 69656172 RAWZIRNSUYGNDJ-KGLIPLIRSA-N 304.394 1.982 0 40 DDAB COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1nncn1C 69698418 JIXHRRZKHXTTSJ-LBPRGKRZSA-N 317.393 1.769 0 40 DDAB c1coc(-c2noc(CN3CCC[C@@H](Cn4cncn4)C3)n2)c1 69630360 AWXKCPVOCPDUSC-GFCCVEGCSA-N 314.349 1.833 0 40 DDAB CCOCCN1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1CC 69840621 XTKNFZMIKRZRJF-OAHLLOKOSA-N 321.469 1.625 0 40 DDAB Cc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)on1 69878868 MUHYXEJQUVJGQJ-UHFFFAOYSA-N 303.366 1.065 0 40 DDAB CCn1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)cn1 66583265 FIBWDPWLLCSTSM-UHFFFAOYSA-N 309.347 1.710 0 40 DDAB CC(N[C@@H](C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 6929788 HNGODQCYUANDHH-JTQLQIEISA-N 301.346 1.662 0 40 DDAB COC(=O)c1nnsc1NC(=O)CCc1ccc(OC)cc1 20718617 HNDMDCKMOGBJGV-UHFFFAOYSA-N 321.358 1.905 0 40 DDAB CCOc1cc(=O)c(C(=O)NC)nn1-c1ccc(F)c(F)c1 67350157 SUBKXBCNKQMSEJ-UHFFFAOYSA-N 309.272 1.269 0 40 DDAB CCc1nnsc1C(=O)NCCc1nc(C(=O)O)cs1 90940656 MTLGJABDKPBFJV-UHFFFAOYSA-N 312.376 1.228 0 40 DDAB CCOc1ccc(CCNc2nc(=O)c(C)n[nH]2)cc1OCC 96341512 QVMXYHAQUYIYPE-UHFFFAOYSA-N 318.377 1.925 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)n(C)n1)CC2 96420929 AWKHSMXCHQBABW-KBPBESRZSA-N 307.394 1.121 0 40 DDAB CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)O 9550290 WIHFIKJBMOSUAE-SKDRFNHKSA-N 315.366 1.916 0 40 DDAB Cn1cc(Cl)cc1C(=O)N1CCC[C@H](N2CCNC2=O)C1 71841748 JJWGEZPETNTGEM-NSHDSACASA-N 310.785 1.308 0 40 DDAB O=C(c1ccn[nH]1)N1CCC[C@H]1c1nnc2n1CCCCC2 71818799 LYPOVMODVWBIBM-LBPRGKRZSA-N 300.366 1.705 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H]2Cn2cncn2)no1 71875144 CPUXIRXEWWBDID-VXGBXAGGSA-N 304.354 1.066 0 40 DDAB CNC(=O)NC(=O)CNC(C)(C)c1ccc(F)cc1Cl 71907437 VFYCSKUUVIAKSM-UHFFFAOYSA-N 301.749 1.759 0 40 DDAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Cn1cnnn1 71900037 SQGRGWVPDMHPNI-CYBMUJFWSA-N 321.356 1.422 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cn(C)nc1C)CC2 89986505 VOITXMSJSROMLR-KGLIPLIRSA-N 307.394 1.121 0 40 DDAB CCn1ncc2c1CCC[C@H]2NCc1cnn(CCOC)c1 72298416 WWKXDCQATVLJMW-OAHLLOKOSA-N 303.410 1.913 0 40 DDAB C1CSC[C@H](NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)C1 97084473 LHWHCRQBHINQDS-KFWWJZLASA-N 300.468 1.209 0 40 DDAB Cc1nnc2ccc(NC[C@H]3CC(=O)Nc4ccccc43)nn12 84297209 IRORCFONDQQRNY-LLVKDONJSA-N 308.345 1.971 0 40 DDAB Cc1ccc(CC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cn1 97198174 CBLHNOLXWGUPLW-AWEZNQCLSA-N 313.405 1.779 0 40 DDAB OC[C@H]1CCCN1c1cc(NCCCOCC2CC2)ncn1 84338696 DNFCXWCMWNFITC-CQSZACIVSA-N 306.410 1.666 0 40 DDAB CCOc1ncnc2c1CN(CC(=O)Nc1nccs1)CC2 97202219 BSVCLCBZNLWFIR-UHFFFAOYSA-N 319.390 1.329 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1OC 76089413 CGQLDCCCFIXRMT-VXGBXAGGSA-N 321.377 1.157 0 40 DDAB CCOC(=O)C1(C(=O)N2CCN(Cc3cccs3)CC2)CC1 76060769 DIWRJBRPSBHILC-UHFFFAOYSA-N 322.430 1.736 0 40 DDAB CCOc1ccc(OCC(=O)NC2(C(=O)O)CCCC2)cc1 95349604 ZPEKXBIWBQUYTG-UHFFFAOYSA-N 307.346 1.978 0 40 DDAB Cc1nccc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)n1 78880066 BKBZZFPBRMUJJR-ZDUSSCGKSA-N 322.390 1.550 0 40 DDAB CC[C@@H](NC(=O)N[C@H](CO)c1ccccc1)c1noc(C)n1 95995091 SDWQTIWUVOSJCQ-CHWSQXEVSA-N 304.350 1.862 0 40 DDAB C[C@@H](CSc1ncnc2c1cnn2C)CS(C)(=O)=O 79097708 CBUMLXPEKYISPW-QMMMGPOBSA-N 300.409 1.136 0 40 DDAB CCN1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 79018916 SVZUEHYUPFPARQ-HOTGVXAUSA-N 309.454 1.042 0 40 DDAB NC(=O)C1(CNCC2=Cc3ccccc3OC2)CCOCC1 86250666 PQUPVSUGFPCOGR-UHFFFAOYSA-N 302.374 1.334 0 40 DDAB CC(C)(C)SCC(=O)N1CCN(C[C@H]2CCOC2)CC1 79018942 JVFYEMNHMQSEGD-CYBMUJFWSA-N 300.468 1.699 0 40 DDAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2ccc[nH]2)CC1 79643925 JLMPDAOCQWPSCH-UHFFFAOYSA-N 320.437 1.371 0 40 DDAB Cn1cccc1C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 79751689 NRYRKOKEANLFSN-ZDUSSCGKSA-N 312.373 1.911 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1COC2(CNC2)C1 1548570351 VYEJKTKEGSWPPK-AAEUAGOBSA-N 308.353 1.230 0 40 DDAB O=C(CO)NC[C@H]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C1 67909338 JCFLKBSHMPOWNU-LLVKDONJSA-N 320.418 1.069 0 40 DDAB COc1ccc(N2Cc3nc(=O)n(CC(C)C)n3C2=O)cc1 36359925 DDUUCYIENUFOPV-UHFFFAOYSA-N 302.334 1.698 0 40 DDAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(C(N)=O)CC1 216284837 LQSFGRGQNTXEHE-OAHLLOKOSA-N 320.389 1.577 0 40 DDAB O=C(NC[C@@H](O)[C@H]1CCCO1)c1ncoc1-c1ccc(F)cc1 529775457 ZLHCPCHCVYBQCW-CHWSQXEVSA-N 320.320 1.750 0 40 DDAB Cc1nccn1-c1cncc([C@H]2CCCN2S(C)(=O)=O)n1 72355563 CZOALNUOPMFMGB-GFCCVEGCSA-N 307.379 1.067 0 40 DDAB CS(=O)(=O)N1CCC(c2nccnc2-c2cccnc2)CC1 72365178 VOIMUUVQCJBHRO-UHFFFAOYSA-N 318.402 1.678 0 40 DDAB CC(C)(CNc1ncnc2sccc12)N1CCS(=O)CC1 77210036 VNCVQCAZXLXWFP-UHFFFAOYSA-N 324.475 1.946 0 40 DDAB CN1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2)CC1 74861083 IPIMFCQXCVQNPL-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB O=C1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@@H]([C@@H]2CCCO2)N1 562552623 MTXLTGYCOGEUNK-OBJOEFQTSA-N 323.780 1.291 0 40 DDAB C[C@@H](O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646303 RCUGPZMJOZBUMM-ZCFIWIBFSA-N 324.686 1.794 0 40 DDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(C)cc(C)c1 48991463 WMTIQVOILKSHRB-UHFFFAOYSA-N 309.347 1.614 0 40 DDAB COc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1F 44869183 MJWXESNZSKQICV-ZDUSSCGKSA-N 301.339 1.141 0 40 DDAB CS(=O)(=O)CC1(CN2CCc3ccccc3[C@@H]2C(=O)O)CC1 574922464 VHVACZMTEYAMTF-CQSZACIVSA-N 323.414 1.495 0 40 DDAB CCCn1c(C)nnc1Cn1cccc(Br)c1=O 193075365 RLEDONXEAAHGNZ-UHFFFAOYSA-N 311.183 1.969 0 40 DDAB COC(CN1CCN(C(=O)Cc2cccc(F)c2)CC1)OC 195572036 LXKBERXIWAGMJW-UHFFFAOYSA-N 310.369 1.131 0 40 DDAB c1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 96047724 BBUFIYUDWGHPGR-RDJZCZTQSA-N 311.389 1.717 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@]1(O)CCc2ccccc2C1 90611441 OJXHATACUYKTPT-KRWDZBQOSA-N 315.373 1.079 0 40 DDAB CN(C[C@@H]1CCOC1)S(=O)(=O)Cc1ccc(Cl)nc1 96454049 IQIAXLLRWAIKCE-NSHDSACASA-N 304.799 1.533 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCCC3)OCC(=O)N2C)cc1 96181568 QCVUGVBHRHWAOA-HOTGVXAUSA-N 302.374 1.516 0 40 DDAB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1nccn1C)COC3 96112835 QWFOICMXTMWSLO-ZDUSSCGKSA-N 311.389 1.939 0 40 DDAB biogenic,in-vitro Cc1cnc(N2CCCn3c(nnc3Cn3cccn3)C2)nc1 96259674 SJRGDWZKBZCYKH-UHFFFAOYSA-N 310.365 1.032 0 40 DDAB COC(=O)[C@H](NC(=O)Cc1n[nH]c2ccccc12)C(C)(C)C 96412461 KSOIXUHINPPGGP-AWEZNQCLSA-N 303.362 1.809 0 40 DDAB O=C(Cn1ncn2nccc2c1=O)Oc1cccc2c1CCCC2 96445119 GNBCKGYHSVXLPY-UHFFFAOYSA-N 324.340 1.375 0 40 DDAB COCCN1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 96250881 IGMLOFJADLQYLD-USXIJHARSA-N 306.406 1.724 0 40 DDAB CCc1n[nH]c(=S)n1CCNC(=O)c1cc(C)nn1CC 96440902 VJCVFFUSYKOKLP-UHFFFAOYSA-N 308.411 1.458 0 40 DDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(C1CCC1)C2 96039795 XYZHAQHMYXBJQV-NVXWUHKLSA-N 310.438 1.515 0 40 DDAB CCn1ccc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc21 96435091 BMUCPQCHVOJBGV-UHFFFAOYSA-N 321.402 1.924 0 40 DDAB CN(C)C[C@@H]1OC[C@H]2CN(Cc3ccc4c(c3)OCO4)CC[C@H]21 96185248 VAAPXCBMRBBBCP-RKVPGOIHSA-N 318.417 1.814 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4cccn4C)C[C@H]3O2)n1 96058200 DJRMEQSURKOZHZ-IACUBPJLSA-N 316.361 1.709 0 40 DDAB Cc1nnnn1-c1cc(NC(=O)NC[C@H]2CCOC2)ccc1F 96403733 LENFOZRKLSIVKL-SNVBAGLBSA-N 320.328 1.268 0 40 DDAB CCN1C[C@H]2CCN(C(=O)NCC(C)C)CC[C@H]2S1(=O)=O 96145539 FJEMBYKRWWFZKA-CHWSQXEVSA-N 317.455 1.098 0 40 DDAB c1cnc(N2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)nc1 96041367 QYPPYWPICQIWTQ-JYJNAYRXSA-N 312.373 1.825 0 40 DDAB CN(C)[C@H](CNC(=O)CN1C[C@H]2CC[C@H]1C2)c1ccccc1 249369479 WBWFBGRXLSESLF-BHYGNILZSA-N 301.434 1.890 0 40 DDAB CCCc1nnsc1C(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257278927 OEGCKWFNAPPFDL-RAIGVLPGSA-N 324.450 1.208 0 40 DDAB Cc1cc2nccc(C3CCN(C(=O)c4ccnn4C)CC3)n2n1 257292527 QLYGTAWZHUSDMM-UHFFFAOYSA-N 324.388 1.791 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)Cc1c(C)n[nH]c1C 257255387 KHGHTGMSHHWYPC-CYBMUJFWSA-N 303.366 1.201 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257211276 BYGCGWLBUHKSFR-CQSZACIVSA-N 314.393 1.764 0 40 DDAB COCC(=O)N1CC[C@@H](c2cc(-c3ccnn3C)nc(C)n2)C1 257323581 WKZCHLZGICNCJH-GFCCVEGCSA-N 315.377 1.148 0 40 DDAB CCCCc1nc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)c[nH]1 257270713 MVJGQZOQDGULNP-MRXNPFEDSA-N 308.426 1.431 0 40 DDAB CC(C)(C)OC(=O)N1CCCN(c2ccc3nncn3n2)CC1 298744916 GSSLIUDFUNIBQS-UHFFFAOYSA-N 318.381 1.572 0 40 DDAB Cn1ccc(C(=O)NC2(c3nc4ccccc4s3)COC2)n1 585141010 NXQKTKRTPZJMCF-UHFFFAOYSA-N 314.370 1.685 0 40 DDAB NC(=O)c1ccc(NC(=O)COc2nncc3ccccc23)cc1 49873785 OVBLWSXRLKFTHD-UHFFFAOYSA-N 322.324 1.746 0 40 DDAB CN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 62646938 HKSKFYVAHXNBBN-CVEARBPZSA-N 316.449 1.906 0 40 DDAB O=C(NCCn1ccnc1)Nc1cccc(N2CCOC2=O)c1 58896023 DTBXFZOKQFHVCW-UHFFFAOYSA-N 315.333 1.661 0 40 DDAB COc1cccc(CNC(=O)CN[C@H](C)[C@@H](C)n2cccn2)c1 69926555 FSHWUDGDOXACON-ZIAGYGMSSA-N 316.405 1.747 0 40 DDAB Cc1ccnc([C@@H](NC(=O)[C@@H](C)N2CCSCC2)C2CC2)n1 95979747 MAJONZZQPNEHGQ-OCCSQVGLSA-N 320.462 1.790 0 40 DDAB COc1ccsc1S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O 96012557 CERHMIYQSORXLI-WNWIJWBNSA-N 311.450 1.144 0 40 DDAB CN1CCO[C@@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@@H]21 89385667 LKIUWXFHIVIGMC-LSDHHAIUSA-N 307.369 1.169 0 40 DDAB CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 95349439 AJEZNQGREYJNLG-RYUDHWBXSA-N 310.419 1.630 0 40 DDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1ccsc1 1549160470 DKUUQTUXFBXKMS-RRFJBIMHSA-N 320.418 1.135 0 40 DDAB COc1c2c(c(Br)c3c1OCO3)[C@@H](O)CN=C2 261828204 GNDOGOXZNVWENG-LURJTMIESA-N 300.108 1.652 0 40 DDAB COCCNC(=O)[C@@H]1CN(C)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595711 KIXRAHBVNRKVPO-IPYPFGDCSA-N 308.353 1.200 0 40 DDAB C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)N1CCCCC1 5441108 INKAASJUEWNJEB-SNVBAGLBSA-N 308.769 1.914 0 40 DDAB CC(N[C@@H](C)Cc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 5625703 OMEAUBGDQIREAA-NSHDSACASA-N 315.373 1.532 0 40 DDAB CCCNC(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 12182402 FZDDKMUOXQJARP-UHFFFAOYSA-N 319.752 1.224 0 40 DDAB O=C(NCCCN1CCCC1=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 12343430 BACRQQONENZAGR-DHMWGJHJSA-N 320.389 1.028 0 40 DDAB O=C(COc1ccc(CN2CC[C@@H](CO)C2)cc1)N1CCCC1 13995813 OSUQPRVBAKUAML-MRXNPFEDSA-N 318.417 1.502 0 40 DDAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(O)c(O)c1 8477353 JFIDQAOEKREOQJ-YRNVUSSQSA-N 316.313 1.502 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)NC1CCCCC1 15882733 PBMASNWRDTXGLZ-UHFFFAOYSA-N 307.419 1.800 0 40 DDAB CC(C)NC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1 7903557 PBWRLAMZXWQJCS-UHFFFAOYSA-N 323.422 1.817 0 40 DDAB COc1cccc(CN(C)C(=O)c2ccn(C)c(=O)c2)c1OC 28418865 PZADQMQZNIENGJ-UHFFFAOYSA-N 316.357 1.675 0 40 DDAB CC(=O)N(C)Cc1ccccc1NC(=O)c1cnn(C)c1C 33199529 FVAOHRDHMGOMJO-UHFFFAOYSA-N 300.362 1.959 0 40 DDAB O=S(=O)(N[C@H]1CCCN(Cc2cncs2)C1)C1CC1 2086967245 HYXJBRNRSVUWIA-JTQLQIEISA-N 301.437 1.189 0 40 DDAB Cc1ccc(N2C[C@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1 4359978 XQCWSUZILPSJLE-HIFRSBDPSA-N 317.389 1.579 0 40 DDAB O=C(Cc1ccc(F)cc1)Nc1nnc(C2=COCCO2)o1 5268483 SQCIFBDKSAYTOP-UHFFFAOYSA-N 305.265 1.735 0 40 DDAB Cn1c(=O)c2c(SCc3ccccc3)ccnc2n(C)c1=O 10217094 LOEUDOJCSFEMRN-UHFFFAOYSA-N 313.382 1.925 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCc1ccsc1 13724152 QNENNEXNHOZLTE-UHFFFAOYSA-N 304.371 1.689 0 40 DDAB COC(=O)C(Cc1ccc(Br)cc1)C(=O)OC 167248 SUQDBBQKILPQTH-UHFFFAOYSA-N 301.136 1.954 0 40 DDAB CO[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 69371646 AYSYHBOVXYLDGN-CMPLNLGQSA-N 312.391 1.174 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C1 45491701 LWEZTNPLTFSKDD-VIFPVBQESA-N 321.768 1.005 0 40 DDAB CC(=O)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 40463144 VBGJKWUQBAFXJV-CQSZACIVSA-N 321.446 1.576 0 40 DDAB CC(C)c1noc(CN2CCN(Cc3ccccn3)CC2)n1 40489639 JBZULZMNTDYGNC-UHFFFAOYSA-N 301.394 1.906 0 40 DDAB O=C(COC1CCCCC1)Nc1ccc(-n2cncn2)nc1 40553136 VGFFHHMCNFTZBY-UHFFFAOYSA-N 301.350 1.950 0 40 DDAB CC(=O)NCCNC(=O)c1cccnc1Nc1cccc(F)c1 40553310 CYCUIWOAVMWJAT-UHFFFAOYSA-N 316.336 1.830 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 4168332 CECJSNLAQXUWRR-XWUBHJNHSA-N 317.297 1.051 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2ncc(/C=C/C(=O)O)cn2)cc1 8701472 FOULHAGUUOKJRH-QPJJXVBHSA-N 319.342 1.684 0 40 DDAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)on1 20991709 ITBVKWRPPOQVEO-ZETCQYMHSA-N 323.330 1.327 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@H]1CCCN(c2cnccn2)C1 29786237 WOYCCKOGTHHFBR-KFZGLNKMSA-N 303.391 1.221 0 40 DDAB CCCn1c(SCC(=O)N(C)C2CCCCC2)n[nH]c1=O 9724412 IZGVMKJUBHJWDO-UHFFFAOYSA-N 312.439 1.865 0 40 DDAB CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1C 46464926 FZJOSVQKXOFIHO-ZDUSSCGKSA-N 312.435 1.887 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2cccc(F)c2)CC1 22590969 ZWSSGIPQFYMQHV-CYBMUJFWSA-N 305.397 1.610 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@H]2CCN(C(C)C)C2)c(=O)[nH]1 75124396 WHFHATDTLFQPCG-ZDUSSCGKSA-N 306.410 1.274 0 40 DDAB COc1cc(C(=O)N[C@H]2CCSC2=O)cc(OC)c1OC 869735 BLGLSULLTLDOKM-VIFPVBQESA-N 311.359 1.474 0 40 DDAB O=C(NCCc1nnc2n1CCCCC2)c1ccccc1O 42763577 XVTUOOFKDIYHLI-UHFFFAOYSA-N 300.362 1.683 0 40 DDAB COc1ccc(CN2C[C@@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)cc1 67897102 VYEMKZVKASWAQJ-SJORKVTESA-N 316.401 1.517 0 40 DDAB biogenic,in-vitro O=C(NCCCN1C(=O)CNC1=O)c1csc2c1CCCC2 108283441 SZEHOYHYMORYLQ-UHFFFAOYSA-N 321.402 1.299 0 40 DDAB COc1cc(C=O)cc(Cl)c1OCC(=O)N1CCOCC1 20376832 SDBRDMCUTLQUPD-UHFFFAOYSA-N 313.737 1.399 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)CCC2CCCC2)CC1 44777145 DNFMPSCFDNJMLA-UHFFFAOYSA-N 302.440 1.497 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C1 62119929 PEEMGAZJTXLFKD-SSDOTTSWSA-N 313.360 1.508 0 40 DDAB COc1ccc(C)cc1-n1nnnc1SCCn1cccn1 58209798 LKYVMYZKRUZURE-UHFFFAOYSA-N 316.390 1.968 0 40 DDAB Cn1cc(CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cn1 44970619 WOCRTZHHIDVQJW-CQSZACIVSA-N 322.796 1.649 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NC[C@@H](c1ccco1)N(C)C 48237276 MASGNCFVJZBYJK-KBPBESRZSA-N 309.410 1.950 0 40 DDAB CCCn1cc(NC(=O)CNC(=O)c2ccccc2)ccc1=O 48368369 MSDFCIKLFYTQKC-UHFFFAOYSA-N 313.357 1.627 0 40 DDAB COC1CCN(C(=O)c2[nH]nc(C)c2Br)CC1 48912041 WLYRPCWQPVQURP-UHFFFAOYSA-N 302.172 1.732 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(N)=O)C2)c1C 68517691 WDQVASUGJYJYIW-LLVKDONJSA-N 321.377 1.146 0 40 DDAB Cc1noc([C@@H](C)N2CCN(CC3(O)CCCCC3)CC2)n1 69436772 BSVDVKQAYIYNMA-CYBMUJFWSA-N 308.426 1.752 0 40 DDAB COCC1(C(=O)NCc2cc3c(cc2OC)OCCO3)CCC1 65405182 NPWHBUUJGHUNON-UHFFFAOYSA-N 321.373 1.899 0 40 DDAB CNC(=O)Cn1cc(NC(=O)C(C)(C)c2ccc(C)cc2)cn1 69413895 XSBURHJCQWQENY-UHFFFAOYSA-N 314.389 1.854 0 40 DDAB C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)N1CCCC1 6423221 BCSWOEYALNEXQU-NSHDSACASA-N 315.325 1.961 0 40 DDAB CN(CCO)c1nc2sc3c(c2c2ncnn12)CCCC3 5533706 UAYXTVFLIANYTP-UHFFFAOYSA-N 303.391 1.646 0 40 DDAB Cc1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)CN(C)C2=O 306143582 YGIGMRDELPHNSH-UHFFFAOYSA-N 314.389 1.141 0 40 DDAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](C)CO)c(C)c2oc1=O 6759932 SBPDYYVCCZDMEE-VIFPVBQESA-N 319.357 1.594 0 40 DDAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 6849142 ARVSTSKSJJALJH-UHFFFAOYSA-N 306.347 1.593 0 40 DDAB O=C1NCCC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 66811192 DZMFUJCTHMZBEN-AWEZNQCLSA-N 309.373 1.718 0 40 DDAB O=C(NCCCNC(=O)c1ccccc1Cl)c1cnccn1 4985442 SYZSAYABFOLCPH-UHFFFAOYSA-N 318.764 1.680 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2n[nH]c(=O)[nH]2)oc2ccc(F)cc12 69571499 FVQUOJQYUXFUCC-SSDOTTSWSA-N 304.281 1.783 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H](C)n1cnc3ccccc31)C2 69585894 ZZNMZPGMCWLLGI-LBPRGKRZSA-N 324.388 1.794 0 40 DDAB Cc1nnc([C@H](C)N2CCN(C[C@H](O)c3ccccc3)CC2)o1 69667405 NUMIOPZIOCVBDR-BBRMVZONSA-N 316.405 1.790 0 40 DDAB CCOCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 69632567 SQQSIPLZFPOWQD-LBPRGKRZSA-N 312.366 1.702 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O 83996176 RKFPAFVCILCWIZ-LERXQTSPSA-N 320.389 1.674 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 69841985 HCEUUQWOJZBOQH-UWVGGRQHSA-N 316.423 1.002 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)c2ccccc2O1 69981902 DEPISSIZHUXHBI-SECBINFHSA-N 322.342 1.689 0 40 DDAB CC(C)N(C(=O)CNCCN1CCOCC1)c1ccccc1 19365132 SRHLZXBEHZHGAW-UHFFFAOYSA-N 305.422 1.350 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)no1 72298996 UZEJAPBKQZYIOI-RISCZKNCSA-N 315.329 1.882 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 72269213 SZZQVIIYMBVWPI-DLBZAZTESA-N 302.418 1.975 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)n1 72253255 MYYNXSVYDXIOSE-GJZGRUSLSA-N 322.409 1.254 0 40 DDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)no1 72238028 UXWZBBMJSNFCMK-HUUCEWRRSA-N 315.329 1.520 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccncc1 9338498 ZUMHSVNJKCHNGK-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB OC[C@@H]1CCCN1c1cc(NCCc2nccs2)ncn1 72276226 HHHIMGAHJQDGFF-NSHDSACASA-N 305.407 1.549 0 40 DDAB CN(CC(=O)N1CCC[C@H]1c1cnn(C)c1)c1cnccn1 71796771 PPUYHWVHMZUDBZ-ZDUSSCGKSA-N 300.366 1.010 0 40 DDAB CSCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 96481257 BGZHYDZCRPZREY-UONOGXRCSA-N 312.410 1.806 0 40 DDAB CC(C)Cc1nc(CN2CCn3c(nnc3C3CC3)C2)no1 71880258 WBWRSSDYTCTFCO-UHFFFAOYSA-N 302.382 1.753 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3ccco3)CC2)cn1 71830448 DKXRWLIHGBJROU-HZPDHXFCSA-N 314.389 1.461 0 40 DDAB COc1ccc(OC)c([C@@H](O)CN[C@H](C)Cn2cc(C)cn2)c1 71874948 PKCASDLBIGTVPN-CJNGLKHVSA-N 319.405 1.920 0 40 DDAB Cc1ccccc1-c1cc(NC(=O)[C@H]2CCCO2)n(CCO)n1 84247669 OFDMDDBOMHPWPW-OAHLLOKOSA-N 315.373 1.968 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1 97197682 DKYTWKNYVYMGHM-GFCCVEGCSA-N 319.386 1.031 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCCn2ccnc2)c(=O)[nH]1 72305713 KVFHIGXSJGPHNS-UHFFFAOYSA-N 303.366 1.078 0 40 DDAB O=C(NC[C@H]1COCCO1)c1ccc(N2CCCCCC2)nc1 84425459 KGZMFHZYWFUPQN-HNNXBMFYSA-N 319.405 1.607 0 40 DDAB COc1cc(-c2noc(CNC3(C(N)=O)CC3)n2)ccc1C 95466730 IBUOEUWIUSWFSX-UHFFFAOYSA-N 302.334 1.161 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(c1ccc3nccnc3n1)CC2 95400773 CKQSFYVNYJDQHM-KBPBESRZSA-N 314.389 1.781 0 40 DDAB COC1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 78879807 DSKKWMJOLNBRHV-CYBMUJFWSA-N 314.407 1.772 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@@H](C)C(=O)O)C1CC1 95991917 HIIRNFZLSNIQAO-NXEZZACHSA-N 307.394 1.852 0 40 DDAB C[C@@H](CNS(=O)(=O)CC1CCCCC1)N1CCOCC1 95938964 PFNVKMQBHQTNIW-ZDUSSCGKSA-N 304.456 1.207 0 40 DDAB CN(C)[C@H]1CCC[C@H](NC(=O)NCCOc2cccnc2)C1 89314008 QXZWOXDBDRDGKF-KBPBESRZSA-N 306.410 1.632 0 40 DDAB Cc1c(C(=O)N2CCC[C@@H]([C@H](C)O)C2)nnn1-c1ccccc1 89556376 FKFVZPALGAFOKO-UONOGXRCSA-N 314.389 1.809 0 40 DDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408587358 BPMLSHPNKIYUAF-JTQLQIEISA-N 314.407 1.277 0 40 DDAB C[C@@H](C(=O)NCc1cccnc1)n1cc(Br)cn1 28224415 GAJGECRTVQKGQK-VIFPVBQESA-N 309.167 1.918 0 40 DDAB O=C(NC[C@@H](O)CN1CCCC1=O)c1cc(F)cc2ccoc12 1548453510 BOQPNOSSWUNDHK-GFCCVEGCSA-N 320.320 1.285 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1cccc(-c2cccnc2)c1 187572253 NNPOFJJMYCQPBV-IAGOWNOFSA-N 312.369 1.857 0 40 DDAB O=C1CCCN1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 72351241 SLDBPVPFZPZLRU-ZDUSSCGKSA-N 323.418 1.105 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218469811 FIWUXWIFWKYTGM-GMXVVIOVSA-N 302.323 1.054 0 40 DDAB C[C@H]1CNCCN1S(=O)(=O)c1ccc(Cl)cc1Cl 79440604 KRGOSRHMOFVKHA-QMMMGPOBSA-N 309.218 1.976 0 40 DDAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(-n2cccn2)nn1 70641247 WOOMUGKZKFHQDF-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB O=C(NCCN1CCc2c(Cl)cccc2C1)[C@@H]1CCCO1 188893435 AREGVOOQEYCNLK-HNNXBMFYSA-N 308.809 1.993 0 40 DDAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CO 32220818 KYEDJPGTEYVVLG-GQGLESIBSA-N 305.333 1.828 0 40 DDAB O=C1NCCCC[C@H]1NCc1csc(-c2ccccn2)n1 37282692 KQZMXMBJWYVDFJ-GFCCVEGCSA-N 302.403 1.963 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2nc(-c3ccccc3)n[nH]2)[C@H]1C(=O)O 71286457 HCZIXSADBLNRLE-ZJUUUORDSA-N 300.318 1.767 0 40 DDAB CC(C)[C@H](N)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 79391387 CBQJNXVEIVTOCM-ZDUSSCGKSA-N 313.442 1.733 0 40 DDAB COC(=O)N1CC[C@H](Nc2ncc(Br)cn2)C1 78407051 PQZOMSSOWDCGJZ-QMMMGPOBSA-N 301.144 1.492 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2NC2CCCC2)C1 72364699 DRXHEIAMXZOSCG-LBPRGKRZSA-N 324.450 1.970 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1csc(Br)c1 29959404 IHIMKLVBGORFFC-ZETCQYMHSA-N 324.221 1.428 0 40 DDAB O=C1N(c2ccccc2)C[C@H]2CN(C3CCOCC3)CCN12 77266493 IJAPMLOONBZWAK-MRXNPFEDSA-N 301.390 1.792 0 40 DDAB biogenic,in-vitro Cc1cnn(CCNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c1 182729072 ZQKXGRBRSIRALP-CQSZACIVSA-N 322.409 1.376 0 40 DDAB O=C(NCc1cccs1)N1CC[C@@H](Oc2cccnn2)C1 225418260 ICVPUWSQLFOOJT-LLVKDONJSA-N 304.375 1.901 0 40 DDAB CCCCC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224357691 UYXYWLRXZKTXSO-UHFFFAOYSA-N 307.398 1.508 0 40 DDAB NC(=O)c1ccnc(N2CCC(COc3ccccn3)CC2)c1 85689509 VQNBOKWRPPVJDA-UHFFFAOYSA-N 312.373 1.871 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21 195546419 TYSBDMDLJCGTSG-IIDMSEBBSA-N 316.401 1.183 0 40 DDAB CCOC(=O)c1cnc(/C(C)=C/c2cn(C)nc2C)[nH]c1=O 193266382 FOXGZQQDVWQCKM-RMKNXTFCSA-N 302.334 1.549 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCCNC1=O 45741321 ZXIKVGPUWZAUES-NSHDSACASA-N 300.355 1.081 0 40 DDAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 44847190 BCNHOFIQSJZTBF-JTQLQIEISA-N 310.781 1.831 0 40 DDAB NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)o1 49448494 TUABAICCQZQEQT-UHFFFAOYSA-N 303.347 1.309 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)C(=O)N(C)C 195536570 TYFUOFMKHGHXDO-QWHCGFSZSA-N 318.421 1.513 0 40 DDAB COCCN1CCN(C(=O)c2ccc[nH]2)Cc2ccc(C)nc21 96069228 GWIBLQRUERUQMS-UHFFFAOYSA-N 314.389 1.827 0 40 DDAB O=C(c1ccccc1O)N1CCN(C[C@H]2CCCCO2)CC1 96452005 YWGZJMQXZOORRO-CQSZACIVSA-N 304.390 1.719 0 40 DDAB O=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 96073906 ALABZIVCALRDNJ-GDBMZVCRSA-N 304.394 1.895 0 40 DDAB CC(C)[C@@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1ccccn1 96440633 GAWJAJIIDQYCRO-HUUCEWRRSA-N 317.393 1.545 0 40 DDAB CN(C)C(=O)[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1 96188771 XEIIBBQSZATTEI-GFCCVEGCSA-N 304.419 1.665 0 40 DDAB COCCN1CCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 97097392 ZEZSQYQQBQTURH-LBPRGKRZSA-N 308.426 1.311 0 40 DDAB Cn1ccc2c(C(=O)NCCCN3CCOCC3)cccc21 95473120 LMGPCHCFPSFLBW-UHFFFAOYSA-N 301.390 1.630 0 40 DDAB COC(=O)C[C@@H]1CN(c2cncc(Br)c2)CCO1 96453936 SMJLLANYTHDWGK-LLVKDONJSA-N 315.167 1.612 0 40 DDAB Cn1nccc1C(=O)N1CC[C@@]2(C[C@@H](N3CCCC3)CCO2)C1 96207276 QOLMMWKXGPTZRE-WMLDXEAASA-N 318.421 1.280 0 40 DDAB Cn1cc(CNCCCN2CCCC2=O)c(-c2ccncc2)n1 97159744 HYDKWHWEPNFGKU-UHFFFAOYSA-N 313.405 1.584 0 40 DDAB COc1cccc(CN2CC[C@@H]3CNS(=O)(=O)[C@@H]3CC2)c1 96145347 JTIBEUTXUYJSQN-UKRRQHHQSA-N 310.419 1.209 0 40 DDAB CC(C)N1C[C@@H]2C[C@H](CC(=O)NCc3cccnc3)O[C@@H]2C1 96206045 XRVQYGPHCNBXDS-ARFHVFGLSA-N 303.406 1.586 0 40 DDAB Cc1ccc(C)c([C@@H](O)CN(C)C[C@H]2CCS(=O)(=O)C2)c1 245289590 CVMUOZIWHACBTF-ZBFHGGJFSA-N 311.447 1.703 0 40 DDAB C[C@]12CCCN(C(=O)c3cc(O)nc(O)n3)[C@H]1CCCCN2 257284311 PCDZPKJJVVNNOM-NHYWBVRUSA-N 306.366 1.025 0 40 DDAB CC(C)N1CCN(C(=O)CCc2ccccc2)[C@@H](C(N)=O)C1 257219288 DGHXQQJYVLFHAZ-OAHLLOKOSA-N 303.406 1.026 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)CCc3cccs3)CC[C@@H]2N1 257255359 KHDMTRILOSWOQQ-STQMWFEESA-N 308.403 1.187 0 40 DDAB CN(C)Cc1cnc(CC2CCN(Cc3cc[nH]n3)CC2)cn1 257249692 JJJMKAJSINMXAV-UHFFFAOYSA-N 314.437 1.716 0 40 DDAB O=C(CN1CCCC1=O)N1CCC(Cc2ccncc2)CC1 257211590 BZLRYKRGDGOYLY-UHFFFAOYSA-N 301.390 1.485 0 40 DDAB Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)nn1C 575410749 FGLIPTRBAOITBQ-HOCLYGCPSA-N 310.357 1.898 0 40 DDAB CCCn1ccnc1CN1C[C@H](CC(=O)N2CCCC2)[C@@H](O)C1 585279373 YJRLDCJQLOYCRO-GJZGRUSLSA-N 320.437 1.098 0 40 DDAB CC(C)c1nccn1CC(=O)N1CCC[C@@]2(CCC(=O)O2)C1 585286382 QIDLOSNWEQMHIT-MRXNPFEDSA-N 305.378 1.705 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@H](C)C2 585097974 PXXRIBFHQIPCAZ-GFCCVEGCSA-N 315.377 1.215 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)/C=C/c3cnn(C)c3)CC[C@H]21 585290975 YQCONZPVSMMDSE-MFHOCJEASA-N 316.405 1.293 0 40 DDAB CCOC(=O)CN(C)C(=O)c1ccc(Br)cc1O 44490047 RNACWFDSNLTGSN-UHFFFAOYSA-N 316.151 1.790 0 40 DDAB COc1ccccc1C1(CNC(=O)[C@H]2CCOC2)CCOCC1 58414443 WCTQLWYTMXILCD-AWEZNQCLSA-N 319.401 1.896 0 40 DDAB O=C(O)C1(C(=O)NCc2ccc(Br)s2)CC1 70600835 YAPGHPVJPJVYFZ-UHFFFAOYSA-N 304.165 1.992 0 40 DDAB O=S(=O)(c1cccnc1)N1CCCC[C@@H]1c1cnccn1 72364435 ZDJDAYSBEPGMED-CQSZACIVSA-N 304.375 1.788 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCCN([C@@H]2CCOC2)CC1 1565521923 HIGSFELJBOSKCN-CQSZACIVSA-N 307.394 1.157 0 40 DDAB C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1C[C@H]2CC[C@H]1C2 107314932 QJHMXHMLOUVEGN-XWLWVQCSSA-N 312.391 1.482 0 40 DDAB COC1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 69632115 NVRDWWWLNHUSOM-UHFFFAOYSA-N 309.309 1.903 0 40 DDAB O=C(CNCC(F)(F)F)NCC1CCC2(CC1)OCCO2 96446860 QEMOCHSBVLYMHS-UHFFFAOYSA-N 310.316 1.188 0 40 DDAB O=C1C[C@@H]2CCN(C3COC3)C[C@@H]2CCOc2ncccc2N1 1534646424 LERAWKVZAGZGIN-STQMWFEESA-N 317.389 1.530 0 40 DDAB CC(C)N1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 15675004 FKMDUFCACSQFOC-NEPJUHHUSA-N 317.345 1.981 0 40 DDAB biogenic,in-vitro S=C(NCCCc1ccccc1)NCCCN1CCOCC1 16238362 SHINRDINACABSG-UHFFFAOYSA-N 321.490 1.806 0 40 DDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)C)nc12 19126937 QWGICVHWTSRMQQ-UHFFFAOYSA-N 312.373 1.730 0 40 DDAB O=C(NCc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccncc1 19340925 GUQZNQNIUMNEIL-UHFFFAOYSA-N 307.313 1.157 0 40 DDAB CO[C@@H](C(=O)NCc1nc(-c2cccnc2)n[nH]1)c1ccccc1 19592556 UQRZLRZPZWAARQ-OAHLLOKOSA-N 323.356 1.871 0 40 DDAB COc1ncccc1C(=O)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 253471670 DXIIJHGUZWADIO-RYUDHWBXSA-N 313.361 1.690 0 40 DDAB O=C(NCCn1ccnc1-c1cnccn1)NC1CCCCC1 575605229 OQAXRQSWYVNVQP-UHFFFAOYSA-N 314.393 1.972 0 40 DDAB O=C(C1CC1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390829980 HXBHBQYALZQENP-UHFFFAOYSA-N 314.345 1.071 0 40 DDAB COc1cccc2cc(C(=O)NC3CN(c4cnccn4)C3)oc12 1888890052 CBHKFQMKHQZXDH-UHFFFAOYSA-N 324.340 1.850 0 40 DDAB CC(=O)N1CCCN(Cc2nnc(-c3ccccc3)o2)CC1 27564669 YVNAUZNVISQLNJ-UHFFFAOYSA-N 300.362 1.791 0 40 DDAB COc1cc2ncnc(N3CCC(C(N)=O)CC3)c2cc1OC 32544275 RRBPLQRUXODVJZ-UHFFFAOYSA-N 316.361 1.349 0 40 DDAB CS(=O)(=O)N1CCC(NCc2cc(F)ccc2F)CC1 36828174 GTKIKDKMVOFHEG-UHFFFAOYSA-N 304.362 1.478 0 40 DDAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)[C@@H]1CCOC1 245108435 SXALNIRWKJFKEO-IAQYHMDHSA-N 307.371 1.730 0 40 DDAB Cc1cnc(C)c(OC2CCN(CC(=O)NC(C)C)CC2)n1 2087045420 JLBAQMCPYRWIEF-UHFFFAOYSA-N 306.410 1.461 0 40 DDAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NC(C)C)n1 5254659 LUQVEBQHDFCOAT-UHFFFAOYSA-N 317.393 1.187 0 40 DDAB NC(=O)N[C@@H](CC(=O)Nc1cccnc1)c1ccccc1F 40498482 LVHOKABUMGMOCU-ZDUSSCGKSA-N 302.309 1.959 0 40 DDAB Cc1ccccc1-c1noc(CSc2nc(N)nc(N)n2)n1 11233672 VNPZIXAOQPSYCD-UHFFFAOYSA-N 315.362 1.687 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cc(Cl)c(OC)cc1OC 20301508 GOEKXHGWHFBPMH-ZETCQYMHSA-N 315.757 1.613 0 40 DDAB COc1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CCCC1=O 11446227 FZDJVAIIOSWMEL-ZDUSSCGKSA-N 304.346 1.940 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)C1 20567718 FOTFCFRBQRWQDW-UHFFFAOYSA-N 318.352 1.650 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)cc(OC)n2)C1 4967439 FNWVYHYOJUGYRN-WCQYABFASA-N 306.410 1.925 0 40 DDAB Cc1nn(CC(=O)N2CCCC2)c(=O)c2cc3occc3n12 6807317 VZBAEBUEYHETJL-UHFFFAOYSA-N 300.318 1.173 0 40 DDAB O=C(c1ccc2ccccc2n1)N1CCN(c2ncccn2)CC1 6846446 OPFOAZKIVVHLSD-UHFFFAOYSA-N 319.368 1.987 0 40 DDAB O=C(COC(=O)c1ccc(O)cc1)NCCOc1ccccc1 7338513 ZJSRYOZGRNUUSR-UHFFFAOYSA-N 315.325 1.744 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 7399656 DMUQNXXYZUDIKG-KRWDZBQOSA-N 315.373 1.962 0 40 DDAB CC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 32105285 MALDCLSQVJDSJK-OAHLLOKOSA-N 319.336 1.597 0 40 DDAB CCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1 32689131 LKMRSFKUGITPCU-UHFFFAOYSA-N 315.329 1.141 0 40 DDAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1 2660368 BVWUDBROIFKGMZ-UHFFFAOYSA-N 314.341 1.785 0 40 DDAB COC(=O)C1CCN(C(=O)CSc2cc(C)nc(C)n2)CC1 32782356 XILJJMFBJGIZCB-UHFFFAOYSA-N 323.418 1.597 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)N(C)C 32927504 YBCZOFSSVCMYSL-LLVKDONJSA-N 319.814 1.126 0 40 DDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 32900126 RQJBAKILSRNLHK-AWEZNQCLSA-N 309.387 1.501 0 40 DDAB C[C@@H](NC(=O)NCc1nncn1-c1ccccc1)[C@H]1CCCO1 41371103 VXNXFHQVORTXMO-TZMCWYRMSA-N 315.377 1.634 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)[C@H]1CC[C@H](Cn2cnnn2)CC1 103469931 PBIWYSJSBSOPCW-RBGFHDKUSA-N 315.421 1.808 0 40 DDAB COc1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@H]3C2=O)cc1 101232716 GWYALUDMANGAQH-HIFRSBDPSA-N 323.308 1.383 0 40 DDAB C[C@@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)[C@H]1CCCO1 42059465 WVSARTRJYVHZSI-DGCLKSJQSA-N 317.345 1.187 0 40 DDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(C)noc1C 53699641 KVZDNMRXLXFWTP-JTQLQIEISA-N 302.352 1.008 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(=O)[nH]1 75124308 ZNLIETXECLSPMM-OLZOCXBDSA-N 308.378 1.192 0 40 DDAB Cn1ccc(CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 89756642 PZYBJDSPKKTVLP-AWEZNQCLSA-N 312.373 1.630 0 40 DDAB NC(=O)C1(NCC(=O)N2CCC[C@@H]2c2cccs2)CCCC1 89799968 DPVCZIBGBLRHFX-GFCCVEGCSA-N 321.446 1.799 0 40 DDAB NC(=O)C1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 24599511 MLANGNDPJQKQNF-UHFFFAOYSA-N 304.365 1.971 0 40 DDAB COc1ccc(S(=O)(=O)CS(=O)(=O)C(F)(F)F)cc1 1396387 RADKSQIPFBRFSM-UHFFFAOYSA-N 318.294 1.361 0 40 DDAB C[C@H](O)CN1CCN(Cc2nccn2CC(F)(F)F)C[C@@H]1C 106841040 ZVUSLHSJAQLBAI-RYUDHWBXSA-N 320.359 1.332 0 40 DDAB CC(=O)N[C@@H](CC(=O)NC[C@@H](C1CC1)N(C)C)c1cccs1 55718982 ASOHZGQUNXYQIB-KBPBESRZSA-N 323.462 1.772 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245461 FVKRVUVHZWKRJT-LLVKDONJSA-N 313.423 1.458 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(N)=O)c1ccccc1 43936897 SRXHZVDDMKKMKD-PWSUYJOCSA-N 321.377 1.242 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(N)=O)c1ccccc1 43936901 SRXHZVDDMKKMKD-ZYHUDNBSSA-N 321.377 1.242 0 40 DDAB O=C(O)[C@H]1CCCN1CC(=O)N1CCSc2ccccc21 35302859 MMLOHUIXTPXXQQ-GFCCVEGCSA-N 306.387 1.674 0 40 DDAB COc1cccc(-c2nc(CC(=O)N[C@@H](C)C(=O)O)cs2)c1 20720192 JFZHPQSSYVTHKE-VIFPVBQESA-N 320.370 1.951 0 40 DDAB C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 37836472 RNCGGWRLYGOMRY-AGIUHOORSA-N 318.439 1.538 0 40 DDAB CCN(CC)C[C@H](O)CNC1CCN(Cc2ccccc2)CC1 58078769 KREUHZLWRFCVJP-LJQANCHMSA-N 319.493 1.943 0 40 DDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCO[C@H](C)C2)cc1 58007580 ZIZJHLDNLXWNKC-OLZOCXBDSA-N 320.389 1.199 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c1C 35946988 OBNMOKZJRKCAHT-BXKDBHETSA-N 308.378 1.710 0 40 DDAB Cc1ccc(NC(=O)CNc2ccn(CC(N)=O)n2)c(Cl)c1 58162848 YOQLZODJVDCTLQ-UHFFFAOYSA-N 321.768 1.381 0 40 DDAB CN(C)c1cc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccn1 44915939 QQCJAUZGUSUNTK-CQSZACIVSA-N 324.384 1.890 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccoc1 44973718 WZNRYJBVNZAFQT-CMPLNLGQSA-N 310.350 1.102 0 40 DDAB O[C@H](COCc1ccccc1)Cn1nnc(-c2ccccc2)n1 58363719 ZBNXVNGVLRNWJX-INIZCTEOSA-N 310.357 1.918 0 40 DDAB CC(=O)N(C)CC(=O)NC1CCN(CCc2ccccc2)CC1 27936424 QTVIRGREZCYHAY-UHFFFAOYSA-N 317.433 1.288 0 40 DDAB Cc1nc(CNC(=O)NCc2ccnc(N(C)C)c2)cs1 45343543 OLKKIQRZRMSSIJ-UHFFFAOYSA-N 305.407 1.912 0 40 DDAB CCCN(CCC)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12819307 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C/C=C/C=C/C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 95446277 CBHBPRYNLKHJGR-PZZNQTFXSA-N 300.402 1.870 0 40 DDAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)N1 95417623 XJAHEOBGHXPAOT-GJZGRUSLSA-N 322.380 1.622 0 40 DDAB C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NC2CC2)C1=O 79483242 MRMMOIOPMRLAKA-QGZVFWFLSA-N 300.358 1.372 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)N1CCC(n2ccnn2)CC1 95979310 XRRZYIRGDBNGDW-UHFFFAOYSA-N 306.316 1.963 0 40 DDAB CCC(=O)c1ccc(OCC(=O)N(CCOC)CC(=O)O)cc1 95969823 ROVYBZKSQJXSIF-UHFFFAOYSA-N 323.345 1.218 0 40 DDAB Cn1cccc1CNC(=O)NCc1cc2c([nH]c1=O)CCC2 74207662 IKJOOLYVNWWQJD-UHFFFAOYSA-N 300.362 1.202 0 40 DDAB COCCN1CCC(CNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 89591652 MCBYPWBJVFOBBO-OAHLLOKOSA-N 322.453 1.536 0 40 DDAB Cn1ccs/c1=N\C(=O)c1cccc(N2C(=O)CCC2=O)c1 24008028 VPYPLJVENLDPJH-NXVVXOECSA-N 315.354 1.481 0 40 DDAB Cc1ccccc1OCC(=O)NCCCN1CCN(C)CC1 22829305 LBAVTBQWJWDAGG-UHFFFAOYSA-N 305.422 1.128 0 40 DDAB CCCC(=O)N[C@H]1CCc2nc(C(=O)NC3CC3)sc2C1 306138127 RPWUNUFDLQUNOH-JTQLQIEISA-N 307.419 1.809 0 40 DDAB CCC[C@@H]1C[C@@H](C(=O)NS(=O)(=O)CC(F)(F)F)CCO1 408391831 FITYVKBRKONINM-DTWKUNHWSA-N 317.329 1.590 0 40 DDAB Cc1nn(C[C@H](C)C(=O)NCCCN(C)C)c(C)c1Cl 35670834 QGFCLULWKYATMC-JTQLQIEISA-N 300.834 1.857 0 40 DDAB Cn1nccc1CNc1nnc([C@H]2COc3ccccc3O2)o1 185901995 KGTYBFFMDHACIE-CYBMUJFWSA-N 313.317 1.928 0 40 DDAB O=C([C@@H]1CN(c2cccc(Cl)c2)CCO1)N1CCC(O)CC1 72366443 IDKFKHWBWKUDRJ-HNNXBMFYSA-N 324.808 1.529 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1 74803104 DETWUHDMNXTSPD-NSHDSACASA-N 323.190 1.942 0 40 DDAB O=C(NCC1(OCCO)CCCC1)c1cc(-c2ccco2)on1 1565519896 RSORVXQRZVZIDN-UHFFFAOYSA-N 320.345 1.986 0 40 DDAB Cc1cc(N2CCNCC2)ncc1CNC(=O)OC(C)(C)C 72223572 ZXQYULLSPBLORR-UHFFFAOYSA-N 306.410 1.824 0 40 DDAB CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(COC)C(=O)O)cc1 218424540 IVGWJKJLPGIBIW-GUTXKFCHSA-N 312.387 1.477 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1nccnc1-c1cccnc1 72365175 ULNZPDAWEANLRH-LBPRGKRZSA-N 304.375 1.635 0 40 DDAB Cc1cc(C(=O)N2CCOCC2)nc(N2CCCCCC2)n1 72241481 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300.409 1.136 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)NCc1n[nH]c(=S)n1C)C2 80026466 IICOXHQZXXLLLP-LBPRGKRZSA-N 318.402 1.714 0 40 DDAB O=C1CC[C@H](C(=O)N(CCc2ccccc2)[C@H]2CCOC2)N1 84528709 HWVDMTOZKCUDKE-LSDHHAIUSA-N 302.374 1.125 0 40 DDAB COc1cccc2cc(C(=O)N[C@H]3C[C@@H](CO)[C@H](O)C3)oc12 85468416 ZVZQIRCADHHDJO-SDDRHHMPSA-N 305.330 1.303 0 40 DDAB biogenic C=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1 148206595 ZBXAJADEYYRLLI-UHFFFAOYSA-N 315.294 1.458 0 40 DDAB S=C(NCCCn1ccnc1)Nc1ccc2c(c1)OCO2 13679602 UAINRIKYJYESPU-UHFFFAOYSA-N 304.375 1.989 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(=O)[nH]c1 16680239 AHTJTMXXCJJNEK-UHFFFAOYSA-N 318.329 1.331 0 40 DDAB CN1N[C@@H](c2cccs2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 19169234 JKAGYUJTJJTIEJ-RDBSUJKOSA-N 319.430 1.926 0 40 DDAB COc1ccccc1OCC(=O)N1CCCc2c(cnn2C)C1 19289639 DRUQNAXFHGLQGI-UHFFFAOYSA-N 315.373 1.783 0 40 DDAB Cc1ccc(C#N)c(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)n1 161188349 IJRVJFFQJRCMHS-AWEZNQCLSA-N 315.421 1.297 0 40 DDAB COc1cc(/C=C/C=C(C(=O)O)C(=O)O)cc(OC)c1OC 1594169 WTAIAEUADLODSE-SNAWJCMRSA-N 308.286 1.821 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)NC[C@H]2CCCO2)n1 5045427 WAVILGSWFFGERF-LLVKDONJSA-N 311.407 1.110 0 40 DDAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c(OC)c1 28632907 SXGWDFRESSFAHR-NSHDSACASA-N 323.345 1.108 0 40 DDAB COC(=O)CCn1ccn2nc(-c3cccs3)cc2c1=O 1888959375 UUKQYEFYYGNEAM-UHFFFAOYSA-N 303.343 1.788 0 40 DDAB COC(CNc1c(NCc2ccc(C)cc2)c(=O)c1=O)OC 1889054796 JOOUQCYYWLUANS-UHFFFAOYSA-N 304.346 1.234 0 40 DDAB O=C(C1CCN(c2ncccn2)CC1)N1CCC(F)(F)CC1 1889095476 KOHBZCJBWDPOOX-UHFFFAOYSA-N 310.348 1.951 0 40 DDAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)N2CCOCC2)c1 1889136303 CFLCDRMYNWCGLO-YIONKMFJSA-N 304.394 1.812 0 40 DDAB O=C(N[C@H]1C[C@@H](NC(=O)c2cocn2)C12CCC2)c1cocn1 1025896046 RHQVHVYTYNUIGA-TXEJJXNPSA-N 316.317 1.134 0 40 DDAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)NC1 23625222 OTQIOLSUPKBJMO-UHFFFAOYSA-N 315.373 1.175 0 40 DDAB Cc1cccc(CC(=O)N2CCCN([C@@H]3CCOC3)CC2)c1 1565522302 YRNJLDFDHIQOCC-QGZVFWFLSA-N 302.418 1.861 0 40 DDAB O=C(N1CCc2ncnc(NC3CC3)c2CC1)C1(F)CCC1 1565544291 DBJPVGDIUIKHIC-UHFFFAOYSA-N 304.369 1.870 0 40 DDAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C 4008542 XOIVLXGUDVXAJJ-QLFDAEIZSA-N 321.465 1.385 0 40 DDAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)NC1CCCC1 5350505 XWJHCDDYOWQZDI-CYBMUJFWSA-N 310.394 1.237 0 40 DDAB Cc1cccc(CSc2nc3c(cnn3CCO)c(=O)[nH]2)c1 7418023 ATDDPCGZLXMISN-UHFFFAOYSA-N 316.386 1.713 0 40 DDAB CCOc1ccc(-c2cc3c(=O)n(CC(N)=O)ccn3n2)cc1 9321248 OSJKGZRYPAFGTD-UHFFFAOYSA-N 312.329 1.047 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN([C@H]3CCCC[C@H]3O)CC2)n1 2298179002 MEDQDANERNMDAM-LSDHHAIUSA-N 319.453 1.277 0 40 DDAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1cccs1 49914711 ZQOXWCXGEGKDGU-NSHDSACASA-N 305.355 1.983 0 40 DDAB O=C(/C=C/c1cccs1)N1CCN(C[C@@H](O)C2CC2)CC1 85436580 KVDCQMVEVZHZCR-LLYBFZRZSA-N 306.431 1.676 0 40 DDAB CCN1CCC(NC(=O)Cn2cnc3ccsc3c2=O)CC1 30028592 OKHHHWQGNJMTJA-UHFFFAOYSA-N 320.418 1.059 0 40 DDAB Nc1nc(CSCc2ccccc2)nc(N2CCOCC2)n1 34291 HVBCGALXCDNBPH-UHFFFAOYSA-N 317.418 1.724 0 40 DDAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31602654 BKNJTJATYWBZMV-GFCCVEGCSA-N 315.398 1.808 0 40 DDAB Cc1cc2c(=O)n(C)c(=O)n(CC(=O)N3CCCCC3)c2s1 32092023 ZOFFNBQYWRFHGZ-UHFFFAOYSA-N 321.402 1.083 0 40 DDAB CN(Cc1c(Cl)cnn1C)CN1C(=O)C(=O)c2ccccc21 20614064 MVWQGWSVDXVQOI-UHFFFAOYSA-N 318.764 1.692 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 41131534 JBEBJWDZFLJLNH-SECBINFHSA-N 301.173 1.870 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC(C1CC1)C1CC1 102398917 ZNQYRXMKKCLETD-ZIAGYGMSSA-N 318.417 1.857 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@H](c1ccccc1)C1CCCC1 52832073 VGBIZLIXYDTCQN-QGZVFWFLSA-N 303.406 1.451 0 40 DDAB Cn1ncc2c(N3CCN(C[C@H]4CCCCO4)CC3)ncnc21 23631059 BGHWXUHZKISXKK-CYBMUJFWSA-N 316.409 1.054 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105579984 LAZZGPXFWFOAAU-SGMGOOAPSA-N 314.451 1.353 0 40 DDAB C[C@H](CO[C@H]1CCOC1)NC1CCN(c2nccs2)CC1 97237668 AGMNSGDVWHZFRL-OCCSQVGLSA-N 311.451 1.896 0 40 DDAB CNC(=S)N(CCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 418429 AMKFWULBIZCGBJ-UHFFFAOYSA-N 319.430 1.444 0 40 DDAB Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24800980 PZGNFJGTRKGWSK-GFCCVEGCSA-N 320.414 1.664 0 40 DDAB O=C(c1ccc2c(c1)COC2)N1CCN([C@H]2CCC[C@H]2O)CC1 78788890 HVXMSZQDXCYBNN-DLBZAZTESA-N 316.401 1.388 0 40 DDAB C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)[C@H]1CCN(C)C1=O 78932638 NHMXLMHTRYCNJL-RISCZKNCSA-N 320.364 1.724 0 40 DDAB O=C1CC[C@@H](NC(=O)c2cc(Cl)ccc2OC(F)F)CN1 79013169 RFQPQCZTILIFJW-MRVPVSSYSA-N 318.707 1.950 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCOc1ccccc1 25645574 IZIBCWMCXDPYON-UHFFFAOYSA-N 313.313 1.633 0 40 DDAB COc1ccc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1OC 12624224 CNRAAIDOZOJKNO-BETUJISGSA-N 322.405 1.429 0 40 DDAB C[C@@H](Sc1nncn1C)C(=O)N1CCn2cccc2[C@H]1C 56678263 YJDWGPSRPDKYLQ-GHMZBOCLSA-N 305.407 1.701 0 40 DDAB CCOCCCn1c(SCC(N)=O)nc2ccccc2c1=O 3478287 XYVAWHMROUGSOM-UHFFFAOYSA-N 321.402 1.401 0 40 DDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@H]3CCOC3)C2)no1 107503548 RZRXEEGMZLOTEB-ZIAGYGMSSA-N 322.409 1.091 0 40 DDAB Cc1ccccc1NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 4941458 GTTWNRJWFTZOCK-CYBMUJFWSA-N 318.373 1.735 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)N1CCCC1 58192365 DGZDZJCSPYUUQB-LBPRGKRZSA-N 322.430 1.465 0 40 DDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[C@H]1CCCO1 44896576 FJJOLBORFQKBCF-UONOGXRCSA-N 302.374 1.873 0 40 DDAB CNC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 44895123 BHVVTUMXUQFJTC-UHFFFAOYSA-N 304.346 1.692 0 40 DDAB Cc1c(OCC(=O)Nc2ccccc2)c(=O)ccn1CCO 44890805 BGDXEFMYNHVISL-UHFFFAOYSA-N 302.330 1.167 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccn(-c2ccccc2)n1 44918591 HKCPWEFWSGBBHS-LBPRGKRZSA-N 319.386 1.037 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)[C@H]1CCCO1 27879899 MJERMEHNTBUQEC-SMDDNHRTSA-N 300.362 1.873 0 40 DDAB C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)[C@H]1CCCO1 27868819 PRUPOVWLBYSUKP-ZYHUDNBSSA-N 323.418 1.496 0 40 DDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)C2)cc1 9426191 VCWCQMGGMLZUKV-GFCCVEGCSA-N 311.407 1.329 0 40 DDAB COCCn1nc(C)c(CNCc2c(C)nn(C)c2OC)c1C 58432748 PIBBSAHSDJUJHZ-UHFFFAOYSA-N 321.425 1.487 0 40 DDAB CCN(C)c1ccccc1CNC(=O)[C@H](C)N1CCN(C)CC1 95389692 CCCRNXFDWVUMRV-HNNXBMFYSA-N 318.465 1.395 0 40 DDAB NC(=O)c1nccnc1C(=O)NCCc1cccc2ccccc12 72908319 NHIOMRMHPMLHOR-UHFFFAOYSA-N 320.352 1.701 0 40 DDAB CCN1CCC(N(C)S(=O)(=O)c2ccc(OC)cc2)CC1 29455294 JJWUUVGSHVYZDN-UHFFFAOYSA-N 312.435 1.800 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N2CC[C@H](C(N)=O)C2)c(OC)c1 46078764 YZFKEDWTJPNPCX-MNOVXSKESA-N 321.377 1.282 0 40 DDAB O=C(N[C@H]1CCOc2ccccc21)[C@H]1CC(=O)N(C2CC2)C1 29540982 VKMYYCOGISJYSL-FZMZJTMJSA-N 300.358 1.637 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC(n3cncn3)CC2)cc1 60296896 FOLCNHXDIFHRHC-UHFFFAOYSA-N 306.391 1.612 0 40 DDAB CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2CCCOC2)CC1 95946642 PCFPQWOOFUZRRZ-CQSZACIVSA-N 312.410 1.740 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N(CCC(=O)O)C1CC1 95969861 FENATOZMLVVICJ-UHFFFAOYSA-N 315.320 1.903 0 40 DDAB COc1cccc2c1CC[C@H]2N[C@@H](C)CC(=O)N1CCOCC1 95969338 ZBFPXQRFUCLSJM-XJKSGUPXSA-N 318.417 1.910 0 40 DDAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccncc1 12391024 YXYQXVRPBMYFAW-UHFFFAOYSA-N 308.341 1.723 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCOC(C)(C)C2)cc1-n1cnnn1 61721934 KTPPFXMZHQTIHN-ZDUSSCGKSA-N 315.377 1.658 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)no1 47638018 JPBHDTQKYZIJEI-VIFPVBQESA-N 301.302 1.805 0 40 DDAB CSC[C@H](C)CNCc1cnc(N2CCN(C)CC2)nc1 95416675 TWIWXEBMPMOBHQ-CYBMUJFWSA-N 309.483 1.317 0 40 DDAB NC(=O)CN(Cc1ccsc1)Cc1ccc2c(c1)OCO2 48276100 ZNWNNGWLOLYFCB-UHFFFAOYSA-N 304.371 1.964 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H]1Cc2ccccc2O1 48302652 KMPPILBBZPOLAY-GXTWGEPZSA-N 300.362 1.575 0 40 DDAB CCn1cnnc1SCC(=O)c1ccc(CNC(C)=O)cc1 12804797 OQTBOCHUAAZSIH-UHFFFAOYSA-N 318.402 1.909 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 3477564 ZBGKLXRMMOMFET-LSDHHAIUSA-N 322.380 1.875 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)NC(C)C)cc1OC 3444607 IONUNLDBQXBRJI-SOFGYWHQSA-N 307.346 1.785 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 49192381 PEIYHJFSINEFEP-OAHLLOKOSA-N 301.390 1.768 0 40 DDAB C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)C[S@@]1=O 5211684 VEEBJNZFWLENSG-BWKAKNAASA-N 316.176 1.460 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1noc3c1CCCC3)CC2 65458376 SCUYVNCZASWENC-JTQLQIEISA-N 301.350 1.198 0 40 DDAB CN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O 65459484 XDWMMCMMIHCQMU-JKSUJKDBSA-N 315.417 1.246 0 40 DDAB Cc1noc([C@@H]2CCCN(c3ncnc4c3CN(C)CC4)C2)n1 65563793 WCHMWKGGZNITDP-GFCCVEGCSA-N 314.393 1.540 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC2CCN(C)CC2)C1 65522374 WAGRIABPRDPSSL-ZIAGYGMSSA-N 317.499 1.483 0 40 DDAB C[C@@H]1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1 14142040 DLCTUHHGPLHECM-CYBMUJFWSA-N 309.410 1.700 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccc(C)cc2)cc1 4550942 AUKLVYMEAMDFKK-HOTGVXAUSA-N 309.369 1.778 0 40 DDAB CN(CCCNC(=O)c1cscn1)C(=O)c1cscn1 96430831 YVQZIWRVSUWZAK-UHFFFAOYSA-N 310.404 1.492 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1nc(C)c(C)s1 96439686 YLVWAILLPWSFRX-WCBMZHEXSA-N 312.439 1.862 0 40 DDAB CNC(=O)c1nn(CN2CCC[C@@H](C)C2)c(=O)c2ccccc12 14202629 MCWVZWZDTJPYPA-GFCCVEGCSA-N 314.389 1.446 0 40 DDAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1cccc(C(F)(F)F)c1 62712255 FKZBGZZOOSFHGB-UWVGGRQHSA-N 319.304 1.933 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Nc2nc(-c3cccnc3)cs2)C1 71852328 CEQNSTNYKIBSFB-JTQLQIEISA-N 317.374 1.544 0 40 DDAB NC(=O)C1(CNC(=O)c2cc3c(s2)CCC3)CCOCC1 71818904 PGMQRXNOWSGXBZ-UHFFFAOYSA-N 308.403 1.249 0 40 DDAB C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H](c2ccccc2)O1 71827208 LOKHYWAQSBPURB-UKRRQHHQSA-N 300.362 1.657 0 40 DDAB O=C(O)CCN(C(=O)C1=NO[C@@H](c2ccccc2)C1)C1CC1 95424467 ZPNLLIGYQGPGJY-CQSZACIVSA-N 302.330 1.970 0 40 DDAB CCOc1ccc(C(=O)N2CCO[C@H](CC(=O)O)C2)cc1OC 95403628 CAGVPOIRQBBWRR-GFCCVEGCSA-N 323.345 1.410 0 40 DDAB Cc1ccn2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)nc2c1 16104564 WSSOKGHAHZQSLI-UHFFFAOYSA-N 310.357 1.878 0 40 DDAB COc1ccsc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 83984404 FDZKXFUBHHTOBA-VXGBXAGGSA-N 310.419 1.428 0 40 DDAB Cc1cc(S(=O)(=O)NCc2cccc(C(N)=O)c2)sc1C 91037945 BLBKSFDWRMZXQJ-UHFFFAOYSA-N 324.427 1.942 0 40 DDAB Cc1cc(C(=O)Cn2cnnc2[S@](C)=O)c(C)n1C1CC1 70037841 SFKBFFLLWYYTOK-OAQYLSRUSA-N 306.391 1.652 0 40 DDAB C[C@@H](OC(=O)CSc1ccc2c(c1)CCC2)C(=O)NC(N)=O 8389699 GGDICQHBCYLHGH-SECBINFHSA-N 322.386 1.394 0 40 DDAB COc1cc(CNC[C@H]2CN(C3CC3)CCO2)cc2c1OCO2 69589658 BIZUOKGKHSMZQP-AWEZNQCLSA-N 320.389 1.377 0 40 DDAB COc1ccccc1OCC(=O)N1CCCC[C@@H]1C1OCCO1 69517111 OPEYKAPPORKMSG-CYBMUJFWSA-N 321.373 1.828 0 40 DDAB Cc1cc(C)cc(OC[C@H](O)CN2CCC(CC(N)=O)CC2)c1 69532666 RQRNPRTUDFFNOI-MRXNPFEDSA-N 320.433 1.631 0 40 DDAB COCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 17321525 UWNRQVFYTIKRBG-UHFFFAOYSA-N 321.764 1.571 0 40 DDAB C[C@H](NCCn1cccn1)C(=O)NCCc1ccc(F)cc1 72267785 CHNBRARQPUDVLM-ZDUSSCGKSA-N 304.369 1.359 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cn1 72235171 OKXFDAMRVKMHRQ-CYBMUJFWSA-N 300.366 1.471 0 40 DDAB 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COC[C@]12COC[C@H]1CN(C(=O)CCOc1ccccc1)C2 96108649 WYKOVUCWDQJDJG-RHSMWYFYSA-N 305.374 1.577 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 96249574 IUAXKKZEOUAWHT-IAGOWNOFSA-N 317.433 1.939 0 40 DDAB C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C 96476484 UPEDWRVNIYWOFI-VXGBXAGGSA-N 314.426 1.977 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(F)c(F)c(F)c1 96466381 ZZVOTKGGKRBKED-SNVBAGLBSA-N 301.268 1.846 0 40 DDAB O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@H]1C=CCCC1 96466391 KEHXXKCZEWRQEL-AWEZNQCLSA-N 319.409 1.446 0 40 DDAB COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccn(C)c2)cc1 95449849 JIDMNACMMGMMAB-MRXNPFEDSA-N 317.389 1.909 0 40 DDAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N(C)C)o1 96041560 ZEALKQKALOQALJ-ZMSDIMECSA-N 322.405 1.425 0 40 DDAB Cn1cc(CN2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 96042423 JTJJHFDDGVHJOW-ZACQAIPSSA-N 314.389 1.626 0 40 DDAB CCn1nc(C)c(NC(=O)c2ccc(OC)cc2)c1C(N)=O 96182134 BCGZMSKKNUCUFJ-UHFFFAOYSA-N 302.334 1.571 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1 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40 DDAB CCCc1cc(NC[C@H]2CN(C3CC3)CCO2)n2ncnc2n1 69590189 ICRBXZRQJNKGOS-AWEZNQCLSA-N 316.409 1.352 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@@H](c2cccc(N)n2)C1 257313789 UUDYKUPQYGVTPW-GFCCVEGCSA-N 302.334 1.482 0 40 DDAB CCn1nccc1-c1cncc([C@@H]2CCCN2C(=O)COC)n1 257301583 RZBDFVUQIMLKOA-AWEZNQCLSA-N 315.377 1.670 0 40 DDAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cc[nH]n2)C1 585269020 HWDHNLGOLURQBU-INIZCTEOSA-N 321.352 1.191 0 40 DDAB O=Cc1c(I)cnn1CC(F)(F)F 685936435 XKAWCKWFBQWJLG-UHFFFAOYSA-N 304.009 1.863 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]([C@H]1CO)N2C(=O)OC(C)(C)C 953122473 FAGJVKLOERDLDU-KEBSCDHBSA-N 314.382 1.586 0 40 DDAB C[C@H](NC(=O)CCNS(C)(=O)=O)c1ccc(F)c(F)c1 44916069 PTCPRTFNPJYSIT-QMMMGPOBSA-N 306.334 1.081 0 40 DDAB CCN(Cc1c(F)cccc1F)Cc1cc(=O)n(C)c(=O)n1C 59409868 OZDMUCVHOWBCBF-UHFFFAOYSA-N 323.343 1.384 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)Cn1ccnc1 61980843 ZHPRSBVWLUNLCU-ZDUSSCGKSA-N 317.393 1.953 0 40 DDAB Cc1cc(Cl)ccc1CN1CC[C@H](NS(C)(=O)=O)C1 136203571 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Cc1nnc(N2CC(NC(=O)C3CCC(F)(F)CC3)C2)s1 1888834341 KOUJNNOPIPQIKN-UHFFFAOYSA-N 316.377 1.977 0 40 DDAB CCc1cnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc1 1888849926 MYYJLNBFCDEKED-AWEZNQCLSA-N 304.394 1.114 0 40 DDAB Cc1cc(C)n(-c2cc(N3CCC(N(C)C)CC3)ncn2)n1 1888853360 LOQYFGYDNKNFLI-UHFFFAOYSA-N 300.410 1.810 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2ncccc2C(F)(F)F)CCO1 1889068337 DLVHZCRCJQKXGD-LLVKDONJSA-N 315.295 1.584 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 1889099072 JENGDQZHLVNKCX-GFCCVEGCSA-N 310.423 1.144 0 40 DDAB COC(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)nc1 25354243 VHIQZABHXIHICS-UHFFFAOYSA-N 324.340 1.717 0 40 DDAB COC(=O)c1c(NC(=O)C2CC2)sc2c1CCN(C(C)=O)C2 4275158 KBHLCWVDIKWPGM-UHFFFAOYSA-N 322.386 1.788 0 40 DDAB O=C1C[C@@H](C(=O)Nc2cccc3ccccc23)n2ncnc2N1 4815667 CYNDNERXVRAVDI-ZDUSSCGKSA-N 307.313 1.953 0 40 DDAB Cc1cccn2c(=O)c(C(=O)NCc3ccncc3)c(O)nc12 9882085 AYKYVKHMFNNTRB-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB O=C(c1ccccn1)N1CCN(c2ccc(C3CC3)nn2)CC1 575618617 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32804002 IKQRTFPFNNWGDX-UHFFFAOYSA-N 300.337 1.767 0 40 DDAB Cc1cc2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2c(C)n1 32922564 XGUGZHPWBBHYTA-JTQLQIEISA-N 322.394 1.053 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2ccnc2)cc1 32925391 VGISQFFNAKMYEE-LLVKDONJSA-N 323.374 1.037 0 40 DDAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(=O)[nH]c1 33026968 PTZVMNOAFTVQAI-UHFFFAOYSA-N 311.385 1.769 0 40 DDAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1cccnc1 42105282 RXJBSCUVXKAZPY-UHFFFAOYSA-N 322.324 1.292 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178693 IBQWOTZOEXJQQK-UKRRQHHQSA-N 316.401 1.758 0 40 DDAB Cc1ccn2cc(C(=O)NCC(=O)NCc3ccco3)nc2c1 24181196 YJDNGIWVUBSKPZ-UHFFFAOYSA-N 312.329 1.282 0 40 DDAB O=S(=O)(c1ccc(N2CCC[C@H](CO)C2)cc1)C(F)F 40438009 XLRCZHVDAANEOF-JTQLQIEISA-N 305.346 1.892 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2nccnc2N)CC1 40477675 ANVSBQNAOMQJJZ-UHFFFAOYSA-N 313.361 1.030 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)C[C@@H](C)O1 40481408 RUIUUEJATKNMPJ-VXGBXAGGSA-N 316.361 1.700 0 40 DDAB O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 40521114 AXJDCFGNWREDPQ-INIZCTEOSA-N 300.402 1.994 0 40 DDAB Cc1cccc(C)c1OCCC(=O)N[C@H]1CCS(=O)(=O)C1 40508594 RKRCUDCAUISTPN-ZDUSSCGKSA-N 311.403 1.376 0 40 DDAB Cc1ccc(NC(=O)N2CCNC(=O)C2)c(Br)c1 40526236 JCZITGBODYRYKB-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 261908 DNEJZNPREWPQDJ-LBPRGKRZSA-N 310.419 1.535 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 7653567 GJXSJVUOHAIKRY-CQSZACIVSA-N 311.288 1.624 0 40 DDAB O=C(Cc1noc(CN2CCCCC2)n1)NCc1ccccc1 29691845 ABTPZWDDMYHUSO-UHFFFAOYSA-N 314.389 1.914 0 40 DDAB CCN(CC)S(=O)(=O)NCc1cn2cc(Cl)ccc2n1 32771451 MFCLRHBRYQDGQJ-UHFFFAOYSA-N 316.814 1.664 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C2 102391652 ATKHRRWQOYOUIK-YFCNSXCBSA-N 314.451 1.688 0 40 DDAB CC(=O)N[C@H](C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 32899278 BPSNCZRPBBJPNP-LLVKDONJSA-N 305.378 1.422 0 40 DDAB Cc1ccc(C)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 2619203 WQDUVIQFVLNGGM-UHFFFAOYSA-N 323.352 1.945 0 40 DDAB Cn1nc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1=O 21899525 LDNCZKDIVKVBJG-LLVKDONJSA-N 301.371 1.747 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 2751187 AVROHXQVNPJSOV-UHFFFAOYSA-N 319.346 1.070 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 102946023 IBBDAOLKJUREPI-VZHUHSAUSA-N 302.355 1.686 0 40 DDAB O=C1CN(C(=O)COc2ccccc2-c2ccccc2)CCN1 46867173 OAEXKVVZPAZCRB-UHFFFAOYSA-N 310.353 1.691 0 40 DDAB CC[C@@H](C)NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 2887984 APJABZGZUMWFAC-SECBINFHSA-N 320.418 1.647 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)C(=O)NC[C@@H]1CCCO1 59417399 CSQDIXIBLQQDHX-AWEZNQCLSA-N 320.389 1.094 0 40 DDAB NC(=O)CC1CCN(C[C@H](O)COCc2ccccc2)CC1 61332712 PVGPAOMDQMJUPP-INIZCTEOSA-N 306.406 1.152 0 40 DDAB COc1ccc(C(=O)NCC(=O)NCc2ccco2)c(F)c1 7953630 OELWPDCNGHBKRT-UHFFFAOYSA-N 306.293 1.474 0 40 DDAB Cc1cc(=O)n2nc(COc3nc(C(C)C)no3)sc2n1 107419097 PKZFETUKBCAKKY-UHFFFAOYSA-N 307.335 1.545 0 40 DDAB CCN(C(C)=O)c1nc(CN2CCC(C(N)=O)CC2)cs1 23699766 BTGIVLGBTWOLGZ-UHFFFAOYSA-N 310.423 1.213 0 40 DDAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101639803 CBLNBEGODMNXCP-AFROZRCLSA-N 303.362 1.429 0 40 DDAB CCCCCc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 42868784 HIIMKMUSXNMDQL-ZDUSSCGKSA-N 303.362 1.956 0 40 DDAB CC(=O)N1c2ccc(S(=O)(=O)NCC3CC3)cc2C[C@H]1C 24434310 FXIBBXXLNLGBMC-SNVBAGLBSA-N 308.403 1.672 0 40 DDAB CCOC(=O)C1=CN[C@@H]2C=C3C(=CN2C1=O)CCCCN3C 55175071 SUJXMZCYEDHGTL-AWEZNQCLSA-N 303.362 1.088 0 40 DDAB Cc1c(C)n(C)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 27973120 MYKSCQPQAPTOOI-CYBMUJFWSA-N 320.414 1.712 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(NC2CC2)nc1 106642310 UVYAYWHBQXKEMA-LSDHHAIUSA-N 316.405 1.249 0 40 DDAB CC(C)c1cnc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)o1 106918658 WVSQKSIBEWNEAX-BZNIZROVSA-N 320.393 1.608 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCN(c3cnccn3)CC2)n1 25343458 YTDYQZURXZRCKC-UHFFFAOYSA-N 314.393 1.029 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)Nc2cnn(CC)c2)CC1 43637066 ZXZFZSSSAUBVEV-CYBMUJFWSA-N 308.430 1.051 0 40 DDAB C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F 107323943 JUXIRKQVBLRPSP-GZMMTYOYSA-N 306.790 1.708 0 40 DDAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCN1CCOCC1 20112428 UYOTYQRZENRGKP-INIZCTEOSA-N 320.433 1.909 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2nnc(C3CCCCC3)s2)C1 47770285 DLXVHFAISSMZGD-SNVBAGLBSA-N 323.422 1.925 0 40 DDAB COC(=O)CCCNC(=O)NC[C@H]1CCN(c2ccccc2)C1 47859739 LBPKLFASMMJUCJ-CQSZACIVSA-N 319.405 1.765 0 40 DDAB N#Cc1ccc(CNS(=O)(=O)c2ccsc2C(=O)O)cc1 37748240 CEXLELRIUFLULL-UHFFFAOYSA-N 322.367 1.796 0 40 DDAB CCOC(=O)CNC(=O)O[C@@H]1CCN2Cc3ccccc3N=C12 1742477 AFYNRNHNFHBFCU-CYBMUJFWSA-N 317.345 1.594 0 40 DDAB biogenic C[C@@H]1CCCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1 1931280 JHSVYVXPQLSBMS-YVYFARNLSA-N 324.384 1.878 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(F)cccc1Cl 3382763 RSPBAQHKFMATDR-SSDOTTSWSA-N 316.716 1.870 0 40 DDAB CC[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)N1CCCC1 44936087 AXRYGLVSHDCTNH-SNVBAGLBSA-N 320.846 1.226 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 44966456 CFQVEKRLHPRNBV-UKRRQHHQSA-N 317.389 1.820 0 40 DDAB C[C@H]1C[C@H]1CNC(=O)NCc1cccnc1N1CCOCC1 44954378 MXAZHVZZGPSFJE-JSGCOSHPSA-N 304.394 1.373 0 40 DDAB CCOCCO[C@H](C)C(=O)Nc1ncn(Cc2cccnc2)n1 58355907 UELILVIILYHMBE-GFCCVEGCSA-N 319.365 1.102 0 40 DDAB Cc1cc(N2CCC(C(=O)Nc3ncccn3)CC2)nc(C)n1 58328585 OYGXHHIVWDNTEY-UHFFFAOYSA-N 312.377 1.739 0 40 DDAB CCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccoc2C)CC1 58331047 RTWOEEVXGYZKGN-LBPRGKRZSA-N 308.378 1.734 0 40 DDAB NC(=O)[C@H]1CN(c2cc(C(F)(F)F)nc3ccccc23)CCN1 12741452 NMGXUJCKKUDQPL-LLVKDONJSA-N 324.306 1.517 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)Cn1ncc2ccccc2c1=O 48265452 MZTLVQKGPDWNPR-CYBMUJFWSA-N 315.373 1.282 0 40 DDAB CNC(=O)c1cccc(CNC(=O)Nc2cccnc2OC)c1 48230635 GQXFMTWGDHQQMC-UHFFFAOYSA-N 314.345 1.772 0 40 DDAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1-n1cnnn1 69322369 OCXONQFSGJLORK-STQMWFEESA-N 315.377 1.740 0 40 DDAB CCn1cc(CN2CCCN(C(=O)CN(C)C3CC3)CC2)cn1 69458739 NRWBDXLMXONFKS-UHFFFAOYSA-N 319.453 1.032 0 40 DDAB C[C@H](O)CNCC(=O)NCCc1ccc(Cl)cc1Cl 6085796 ZMQGFSJLMOZFOU-VIFPVBQESA-N 305.205 1.623 0 40 DDAB O=S1(=O)CC[C@H](Nc2ncnc3c2oc2ccccc23)C1 8403179 AORMKTOROCNBME-VIFPVBQESA-N 303.343 1.975 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccccc1 8726443 HULLWFDUQZOSHU-UHFFFAOYSA-N 310.361 1.182 0 40 DDAB O=C(COCC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCO1 13844832 FVPOLPOVORTPCG-CYBMUJFWSA-N 310.325 1.076 0 40 DDAB Cc1ccc(C[C@@H]2CCCN([C@H]3CS(=O)(=O)C[C@@H]3O)C2)cc1 65260977 QYACKVAPDHTNJI-ULQDDVLXSA-N 323.458 1.407 0 40 DDAB CN(C)C(=O)c1cccc(CNc2cn[nH]c(=O)c2Cl)c1 65446703 ADNQUVKOUCGXCK-UHFFFAOYSA-N 306.753 1.737 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 65491409 RUTBLFRSOMOFJY-HIFRSBDPSA-N 324.446 1.373 0 40 DDAB COCC(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)C)on2)C1(C)C 67889777 QRPJSFQXERGFPH-RISCZKNCSA-N 309.410 1.456 0 40 DDAB biogenic,in-vitro O=C(CN1CSCC1=O)Nc1nc2ccc(F)cc2s1 14168517 ZHOGQNQCRFOXAH-UHFFFAOYSA-N 311.363 1.907 0 40 DDAB CCCn1nnnc1CSc1nc(C)c(C)c(C)c1C(N)=O 14124573 HLFIGUFSDAOXNZ-UHFFFAOYSA-N 320.422 1.795 0 40 DDAB CCc1noc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 69667187 SRNOCVDFCGXRKV-OAHLLOKOSA-N 316.405 1.483 0 40 DDAB CCCn1c(SCc2nc3ccccc3c(=O)[nH]2)n[nH]c1=O 6583374 HLIHTVBWEKPFPC-UHFFFAOYSA-N 317.374 1.510 0 40 DDAB CCc1nc(CN2CCC[C@H](NCc3nc(C)c(C)o3)C2)no1 69629405 UFNRVJFZUZPFMO-ZDUSSCGKSA-N 319.409 1.991 0 40 DDAB Cc1nn(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1C 69739109 LYXALBQEPYYVHS-UHFFFAOYSA-N 311.349 1.329 0 40 DDAB COC(=O)CCCSC1=Nc2ccccc2C2=NC(=O)CN12 5660189 FFSJHWYDVYFFAZ-UHFFFAOYSA-N 317.370 1.963 0 40 DDAB CCn1c(=O)n(CCC(=O)OCC2(C)COC2)c2ccccc21 66532229 LUFHRLNPUHQPEX-UHFFFAOYSA-N 318.373 1.793 0 40 DDAB CCNC(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 67510772 ILANGKONUGAHPV-UHFFFAOYSA-N 315.373 1.336 0 40 DDAB CC[C@H](C)[C@H](O)CNS(=O)(=O)Cc1ccc(F)cc1F 96001974 SAKQTCADXOCMKK-TVQRCGJNSA-N 307.362 1.791 0 40 DDAB CCOc1cccc(CNC(=O)[C@@H]2CCCCS2(=O)=O)c1 96011809 WQYSLWLKYDBZQF-AWEZNQCLSA-N 311.403 1.669 0 40 DDAB C[C@H](CC(=O)Nc1ccnc2ccnn12)NC(=O)C1CCCC1 96409661 HBFORPPGTIJNMT-LLVKDONJSA-N 315.377 1.753 0 40 DDAB Cc1cccc(O[C@@H](C)CNC(=O)Cn2ccccc2=O)c1 96426726 RSLSUJAHXMTXKA-AWEZNQCLSA-N 300.358 1.740 0 40 DDAB O=C(NC[C@H]1CCC[C@H]1O)c1cn(Cc2ccccc2)nn1 76060602 DGUHBOBUBDTWMS-UKRRQHHQSA-N 300.362 1.217 0 40 DDAB CN(C)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 306129392 IBVRTKCFJBEJJL-LSDHHAIUSA-N 304.394 1.038 0 40 DDAB C[C@]1(C(=O)N2CCN(c3ncccn3)CC2)CC1(Cl)Cl 9594839 JKJGVHKCYRULTA-GFCCVEGCSA-N 315.204 1.709 0 40 DDAB CC(C)Oc1ccc(NC(=O)NCCS(C)(=O)=O)c(F)c1 71854958 DDKRDFJMDCJWLK-UHFFFAOYSA-N 318.370 1.779 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 71870734 FOYBTNRYAYITDW-GJZGRUSLSA-N 318.421 1.620 0 40 DDAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)NC(=O)NC(C)(C)C 9861539 SQAMLGQXNIEGOY-SECBINFHSA-N 308.334 1.562 0 40 DDAB CN1C[C@H](C(=O)NC2(c3cccc(F)c3)CCOCC2)CC1=O 76067141 RAUYBBITJUPRLJ-GFCCVEGCSA-N 320.364 1.426 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CCCN(CCn3cncn3)C2)nc1 84191572 AWVQXCWFARJPMR-AWEZNQCLSA-N 314.393 1.332 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 72267927 JSWVKTRJGRJAEC-HRCADAONSA-N 319.449 1.481 0 40 DDAB O=S1(=O)N=C(N[C@@H](CO)Cc2ccccc2)c2ccccc21 72270970 KMROCUYWKUDDHM-CYBMUJFWSA-N 316.382 1.329 0 40 DDAB COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)O)CCN2C2CC2)c1 97047605 MPKMOVVNANYCPP-IUIKQTSFSA-N 304.390 1.470 0 40 DDAB C[C@@H]1CC[C@H](Nc2cnn(CC(=O)N3CCOCC3)c2)[C@H](C)C1 97108926 FONXALWSYGSTFO-FMKPAKJESA-N 320.437 1.979 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 78788722 NNERSDHJCBFFGV-IRXDYDNUSA-N 302.418 1.920 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(CCO)cc1 95412658 ZGTQNZOUFQMYFO-UHFFFAOYSA-N 303.362 1.589 0 40 DDAB Cn1cc(CCC(=O)NC[C@@]2(O)CCOC2)c2ccccc21 95438521 ZOMGDLRXYVAMFY-KRWDZBQOSA-N 302.374 1.379 0 40 DDAB CCN1CCN([C@H]2CCN(CCC(=O)N3CCCCC3)C2)CC1 84789322 JUIWNTVVSMECSE-KRWDZBQOSA-N 322.497 1.101 0 40 DDAB COc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1F 79095770 YOEMPYVPAOFVHT-CMPLNLGQSA-N 309.341 2.000 0 40 DDAB C[C@H]1CCO[C@@]2(O1)C(=O)N(CN1CCOCC1)c1ccccc12 27903055 ISQFMGIREOXAJJ-GUYCJALGSA-N 318.373 1.301 0 40 DDAB Cc1cccc(OCCN2CCN(Cc3noc(C)n3)CC2)c1 95959690 OZJJUGCLNQQJNC-UHFFFAOYSA-N 316.405 1.883 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ncoc3CC)CCO2)n1 89282580 ZXVNAINLVUMGRU-JTQLQIEISA-N 305.338 1.131 0 40 DDAB CN1CCN(C(=O)Cc2ccc(NCc3cc[nH]n3)cc2)CC1 89382578 PEGJZTPRRFDOBZ-UHFFFAOYSA-N 313.405 1.338 0 40 DDAB CC(=O)N1CCN(C(=O)Nc2nc3ccccc3s2)CC1 9960232 OTCOLARSWAHBDU-UHFFFAOYSA-N 304.375 1.992 0 40 DDAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1cn[nH]c1C)c1ccccc1 86231852 ONPYZKKIPMZXTI-IINYFYTJSA-N 301.346 1.998 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 36610989 PHGWOEITLMNJNA-XWUBHJNHSA-N 303.362 1.176 0 40 DDAB COc1c([C@@H]2ON=C(C(=O)O)[C@@H]2C)cc2c(c1OC)OCO2 35327389 ITGBMRBTMORXHR-QUBYGPBYSA-N 309.274 1.581 0 40 DDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)N(C)C)[C@H]2C1 306140725 VCDPWAMJIHICGW-JHJVBQTASA-N 324.450 1.170 0 40 DDAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(CCO)C2)n1 72359961 RDTCGPFBDQITBT-CYBMUJFWSA-N 314.393 1.490 0 40 DDAB Cc1nc([C@@H]2CN(C3CCOCC3)CCO2)cc(N(C)C)n1 72387733 YSWBYXPPXSCZMU-HNNXBMFYSA-N 306.410 1.403 0 40 DDAB CC(C)N(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C 79409785 DGGWYHHNUCAYNN-QWHCGFSZSA-N 313.442 1.828 0 40 DDAB CCn1nc(C)cc1C(=O)N(CCN(C)C)Cc1cccnc1 79050207 IUHNRCSUZHLBRE-UHFFFAOYSA-N 315.421 1.810 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 78671169 RHTUZUQRCOYPPA-DZGCQCFKSA-N 308.422 1.805 0 40 DDAB Cc1ccc(-c2nnc([C@@H](NC(=O)C(C)(C)C)C(N)=O)o2)cc1 41157786 ZWPAMGPBTRSUJB-NSHDSACASA-N 316.361 1.734 0 40 DDAB CN(C)S(=O)(=O)c1ccc(OCCCC(=O)O)c(Cl)c1 225587714 UVWFNFMTPLNQIU-UHFFFAOYSA-N 321.782 1.834 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)Oc3ccc(C)cc3NC2=O)CC1 40778893 NJVOSLWHMOPLIT-QGZVFWFLSA-N 317.389 1.249 0 40 DDAB O=C(NCCn1cccc1)[C@H]1CN(Cc2ccccc2)CCO1 81784849 JVDJVHIHMATAJG-QGZVFWFLSA-N 313.401 1.505 0 40 DDAB CCCNC(=O)N1C[C@@H]2Oc3ccccc3C(=O)N(C)[C@@H]2C1 514290369 YZJMOPHCOCOEMB-OCCSQVGLSA-N 303.362 1.323 0 40 DDAB biogenic,in-vitro O=c1ccccn1C[C@@H](NS(=O)(=O)C1CC1)c1ccccc1 225716336 XAJAFXPOORHZBA-OAHLLOKOSA-N 318.398 1.671 0 40 DDAB CCN(CC(F)F)S(=O)(=O)c1cccc2nsnc12 194803462 XHTKIDZYOSBAIX-UHFFFAOYSA-N 307.347 1.967 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@H]1c2ccccc2CC[C@H]1CO 225390663 AGIJWTBWJDPQEN-KBXCAEBGSA-N 313.401 1.981 0 40 DDAB O=C1NC2(CCN(C(=O)CC3CC3)CC2)C[C@@H]1c1ccncc1 96069659 OIQGXUUYCYDKSR-OAHLLOKOSA-N 313.401 1.846 0 40 DDAB CCCS(=O)(=O)CC(=O)N[C@@](C)(CC)c1nccs1 96416592 BYINSHUGXBOITP-LBPRGKRZSA-N 304.437 1.709 0 40 DDAB CNC(=O)c1cccc(N2CCC(c3nc(C)no3)CC2)n1 91455297 KMNKGXLQMQDSSS-UHFFFAOYSA-N 301.350 1.517 0 40 DDAB CCn1ncc2c1[C@H](COC)CN(C(=O)c1ccccn1)C2 96198334 LQZWAIKNJHTVBV-ZDUSSCGKSA-N 300.362 1.684 0 40 DDAB c1csc(-c2n[nH]c(CN3CCO[C@H]([C@@H]4CCCO4)C3)n2)c1 97370572 ACHDXNMSXNOIFS-RYUDHWBXSA-N 320.418 1.913 0 40 DDAB O=C(c1ccnnc1)N1CCc2onc(CN3CCCC3)c2C1 96259731 IZVDKKMOSBRPFQ-UHFFFAOYSA-N 313.361 1.259 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1c1cncnc1 96245932 DWLWZAIODHQHLR-KGLIPLIRSA-N 300.387 1.918 0 40 DDAB c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 96072941 VSMNBXKPHKSAHQ-RDJZCZTQSA-N 311.389 1.717 0 40 DDAB c1cn2c(n1)CN(C1CCOCC1)C[C@@H](COCC1CC1)C2 96187925 BAAOLYBPMHDMGP-HNNXBMFYSA-N 305.422 1.921 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1F)c1[nH]nc2c1CCCC2 96445828 PQYGUMLVVZTYMF-CQSZACIVSA-N 303.337 1.891 0 40 DDAB C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)n1cccn1 245289803 FFNGLLVSHWKOAK-JHJVBQTASA-N 313.423 1.258 0 40 DDAB COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247836987 JMTIFBBGBAZXCO-CQSZACIVSA-N 301.346 1.815 0 40 DDAB CCOC(=O)[C@H](N)[C@@]1(N2CCOCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242677046 SWNZLWUXFFBWHH-BODMPHMZSA-N 324.465 1.794 0 40 DDAB NS(=O)(=O)c1ccc(CNCc2ccc(F)s2)cc1 256053395 RGNUUPGWQWXDEU-UHFFFAOYSA-N 300.380 1.824 0 40 DDAB O=C(CCn1ccnc1)N1CCC(c2ccnc3ccnn23)CC1 257315940 VDKAKWCZZOQCNQ-UHFFFAOYSA-N 324.388 1.722 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 257320625 VXPFFZJCMFEPSZ-OAHLLOKOSA-N 324.388 1.837 0 40 DDAB Cc1noc(CNC(=O)c2ncccc2-c2cccc(CN)c2)n1 257218237 DCJBBRCGYAUIHO-UHFFFAOYSA-N 323.356 1.829 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccccc2F)[C@H]1O 257335409 YKAIYEIDLLWHKB-YRGRVCCFSA-N 317.382 1.375 0 40 DDAB O=C(NCCc1ccccn1)c1cccc(-c2cncnc2)n1 257205763 BAMIYPVNXNXNNN-UHFFFAOYSA-N 305.341 1.906 0 40 DDAB CC(=O)N1CCC[C@H]1c1nccnc1-c1cncc(C(=O)O)c1 257294827 QVWSWVKRRHSMDH-ZDUSSCGKSA-N 312.329 1.920 0 40 DDAB O=C(NCc1cn(-c2ccccc2C(=O)O)cn1)c1ccccn1 257228813 FVJBSRSIPPMPTI-UHFFFAOYSA-N 322.324 1.896 0 40 DDAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC 95634887 QVFYELHUZMOHPV-PHIMTYICSA-N 315.366 1.596 0 40 DDAB CCCCC(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 575404951 FYRIQTKKEAQFCF-CQSZACIVSA-N 304.394 1.579 0 40 DDAB FC(F)(F)c1nnc2ccc(NCCCn3cncn3)nn12 41620711 UBDLFBCWFJXBHW-UHFFFAOYSA-N 312.259 1.237 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccncc2)CC1 44448805 UBTNGQVAQMNIPI-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NCCOC(F)(F)F)cc1 91252822 IJSBSQIMNYNGHW-UHFFFAOYSA-N 313.253 1.200 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)[C@H]1COc2ccccc2O1 75157467 PNFAUCLKPNMVTK-UKRRQHHQSA-N 311.403 1.447 0 40 DDAB CN1CCC[C@H](C(=O)N2CCC(Oc3ncccn3)CC2)C1 85557064 CZXFHAXDAGAZPQ-ZDUSSCGKSA-N 304.394 1.188 0 40 DDAB CCC(CC)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 13012596 NNHVNYUQKZFGIV-UHFFFAOYSA-N 313.423 1.364 0 40 DDAB CCc1nnc(NC(=O)CSc2nnc(C)n2CC)s1 13989808 WHBULOPONUJBLG-UHFFFAOYSA-N 312.424 1.751 0 40 DDAB COc1ccc(Cc2cc(O)nc(N3CCN(C)CC3)n2)cc1 19590115 NRUGWQPQZSBFFM-UHFFFAOYSA-N 314.389 1.533 0 40 DDAB CN(CC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1 6792059 PJKMRJBTFNQHDA-AWEZNQCLSA-N 306.362 1.550 0 40 DDAB CC(C)c1noc(CN[C@@]2(CO)COc3ccccc3C2)n1 528654723 XCCGHAJHITULPQ-INIZCTEOSA-N 303.362 1.649 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)cc1 567796991 LAHJVWRJVVYBGD-CYBMUJFWSA-N 311.359 1.184 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Oc2ccncn2)C1 575605279 IUPPJAQXFQDZEE-GFCCVEGCSA-N 301.350 1.120 0 40 DDAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)C1CC=CC1 585149332 KDIMBEBUAZNIJX-SNVBAGLBSA-N 314.311 1.985 0 40 DDAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc[n+]([O-])c1 10764784 OLQUMRXQEJWPED-UHFFFAOYSA-N 311.341 1.599 0 40 DDAB COc1cc(N2CC(Cn3cc(Br)cn3)C2)ncn1 1889090988 RZGGURVEHBOCTE-UHFFFAOYSA-N 324.182 1.581 0 40 DDAB Fc1ccc2c(N3CCN(c4ccncn4)CC3)ncnc2c1 1155103640 QZYHNZNEVDWOLG-UHFFFAOYSA-N 310.336 1.886 0 40 DDAB O=C(Nc1nncs1)C1CCN(c2ccc(Cl)nn2)CC1 30774506 ZRSLYXDQEBKRAJ-UHFFFAOYSA-N 324.797 1.837 0 40 DDAB O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 31288131 MXWMDRMJBJVKSC-KRWDZBQOSA-N 317.433 1.494 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)c1ccnc(OCC2CC2)c1 240122394 VYGBHFZPNZPKHD-CYBMUJFWSA-N 304.346 1.648 0 40 DDAB Cc1cccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1F 161606785 SBNOXHSWNURGME-JTQLQIEISA-N 300.355 1.027 0 40 DDAB O=C(Cc1cccnc1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 244947613 DTBFVHJTOVYQHH-SHTZXODSSA-N 312.373 1.921 0 40 DDAB CC(C)(C)OC(=O)N(CC(=O)O)c1nc(C(=O)O)cs1 498050468 AMVAMBCRXIPLEK-UHFFFAOYSA-N 302.308 1.667 0 40 DDAB CCCCn1c(=O)c2c(nc3n(C)c(C)c(C)n23)n(C)c1=O 4314474 MHZPNQBDHFHXQY-UHFFFAOYSA-N 303.366 1.103 0 40 DDAB COc1ccccc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C 10088979 JFDVJSGDZVMZPT-GFCCVEGCSA-N 324.402 1.869 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1 12443630 XRMRUZQQQSDVDJ-ZDUSSCGKSA-N 322.364 1.878 0 40 DDAB Cc1ccc(=O)n([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1 44395340 JGGROXKWLLVVQE-NSHDSACASA-N 315.329 1.158 0 40 DDAB CN(C)C1(CNC(=O)C(=O)Nc2cccc(O)c2)CCCC1 40287662 LZRMIKWPMFUBPO-UHFFFAOYSA-N 305.378 1.321 0 40 DDAB Cc1nc(C)c(CC(=O)NC[C@H]2Cc3ccccc3O2)c(=O)[nH]1 31370787 DEHZPYXAWMQTJH-CYBMUJFWSA-N 313.357 1.049 0 40 DDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccccc1F 31669095 OPIHTONFZVVQTP-UHFFFAOYSA-N 322.361 1.896 0 40 DDAB O=C1CN(c2ccccc2)CC(=O)N2Cc3ccccc3CN12 1579233 ZPMAHWSPTVUXPI-UHFFFAOYSA-N 307.353 1.793 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCO[C@H]3CCC[C@@H]32)c(=O)[nH]1 75122520 QTGRACGTFCPGRW-KBPBESRZSA-N 305.378 1.455 0 40 DDAB Cc1ccc(NCC(=O)N2CCC[C@@H](C)C2)cc1-n1cnnn1 40511215 KAUWSSNDMFCACM-GFCCVEGCSA-N 314.393 1.641 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)C1 20567396 DFNXCZKRLKSELX-UHFFFAOYSA-N 314.389 1.570 0 40 DDAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1 260726 FTQWYJFAPRUITF-KBPBESRZSA-N 324.352 1.992 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)NC2CC2)C(=O)N1c1ccc(F)cc1 20671100 AQTPIYQHWJQGIQ-SECBINFHSA-N 305.309 1.261 0 40 DDAB C[C@H]1NC(C(=O)NCc2cccnc2)=NN(c2ccccc2)C1=O 32646698 GIGAOJZUVZVINN-GFCCVEGCSA-N 323.356 1.036 0 40 DDAB CN(C)c1ncnc(N(C)Cc2cnn(-c3ccccc3)c2)c1N 75103588 AIAJQYOKWJDLCY-UHFFFAOYSA-N 323.404 1.947 0 40 DDAB C[C@H](Cn1cccn1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75118037 GKEGUUXKSNCHOY-MRVPVSSYSA-N 314.267 1.865 0 40 DDAB COc1cccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)c1 2651572 XUGGQRFHGMEILE-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 175748159 GFBRJSOQCKLTMO-SNVBAGLBSA-N 318.826 1.799 0 40 DDAB CC(=O)NCCCNC(=O)c1nc(-c2cccs2)oc1C 60491246 FZXBBGAUCQBCQJ-UHFFFAOYSA-N 307.375 1.968 0 40 DDAB CCn1ncc(Br)c1C(=O)Nc1nncs1 2782535 SXLAARRJNRLFNZ-UHFFFAOYSA-N 302.157 1.769 0 40 DDAB CN(Cc1ccnn1C)C(=O)c1cc(C(F)(F)F)nn1C 28233627 XOXWBNVCWFIMRC-UHFFFAOYSA-N 301.272 1.445 0 40 DDAB CCn1c(=O)n(CCC(=O)NC[C@@H]2CCCO2)c2ccccc21 22516322 QFSRAOFPHLNBEO-ZDUSSCGKSA-N 317.389 1.508 0 40 DDAB COC(=O)c1cccc(NC(=O)COC(=O)c2ccco2)c1 806231 OISSOFLQSNPCRT-UHFFFAOYSA-N 303.270 1.862 0 40 DDAB COCCn1cc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cn1 106099525 MKTVZEWXWMFQDT-UONOGXRCSA-N 323.441 1.914 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)[C@@H](C)CO1 107317832 GMFZOULIUZEFEX-STQMWFEESA-N 321.402 1.670 0 40 DDAB COc1cc(C(=O)NCCCO)cc(OC)c1Br 35115520 AKJXDLWRDOMGJY-UHFFFAOYSA-N 318.167 1.579 0 40 DDAB C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H](C)O1 7245326 STFRLYFJWYUYME-TXEJJXNPSA-N 301.346 1.032 0 40 DDAB Cc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)nc(C)n1 44714868 FHIVSACPBPMVDM-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccncc1 27407457 YTUXNEODSAFNFM-LLVKDONJSA-N 319.386 1.944 0 40 DDAB CCCCn1c(SCC(=O)Nc2cc(C)on2)n[nH]c1=O 7344868 WSESREDFUALPOO-UHFFFAOYSA-N 311.367 1.399 0 40 DDAB Cc1csc(CNC(=O)N2CCN(c3ncccn3)CC2)n1 44895243 SAWLWFCOIVLZEA-UHFFFAOYSA-N 318.406 1.273 0 40 DDAB CN(CC(=O)NCc1ccsc1)c1ncnc2[nH]cnc12 58249900 HJRXADFQMNEOJZ-UHFFFAOYSA-N 302.363 1.167 0 40 DDAB CCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1 58203503 WYMKQRUZTOBOOE-CQSZACIVSA-N 324.446 1.738 0 40 DDAB O=C(N1CCOCC1)N1CCN(Cc2cccc(F)c2)CC1 58223574 XOFHBXZSMARWSB-UHFFFAOYSA-N 307.369 1.396 0 40 DDAB CCN1CCC(CNC(=O)Cc2cn3ccsc3n2)CC1 58368255 KWSINHGFAMUQKK-UHFFFAOYSA-N 306.435 1.786 0 40 DDAB C[C@H](OCCCNC(=O)c1nccnc1N)c1ccccc1 12792831 OZGAQNQCWWVPPP-LBPRGKRZSA-N 300.362 1.957 0 40 DDAB CC(C)N1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 48355681 DQUIBLFEVAMCJK-AWEZNQCLSA-N 321.465 1.767 0 40 DDAB O=C(CN1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 7786111 ICRZGFWJMAARTB-UHFFFAOYSA-N 305.769 1.955 0 40 DDAB O=C(O)[C@@H]1C[C@H](O)CN1C(=O)CCc1c[nH]c2ccccc12 4090586 ZRSLRYTUCRMAJR-FZMZJTMJSA-N 302.330 1.147 0 40 DDAB biogenic O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1 7918326 HTHBONDJANBDMT-NSHDSACASA-N 303.380 1.685 0 40 DDAB CCC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 69420166 LWHPFKLJFQEHOI-CQSZACIVSA-N 324.446 1.922 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)c1 69445291 MJPPAKJHCYJAJJ-MRXNPFEDSA-N 314.389 1.191 0 40 DDAB CC(C)[C@H]1CN(C)CCN1C(=O)c1nnc2ccccc2c1N 81433101 PWLQPEQJZAQCHU-CQSZACIVSA-N 313.405 1.624 0 40 DDAB Cc1nc(CCNC(=O)N2CCC(CN(C)C)CC2)cs1 65417414 GSQJKLYMHFCXJH-UHFFFAOYSA-N 310.467 1.977 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)n1 65548571 UWUCCTBQVHXQHU-JSGCOSHPSA-N 300.362 1.404 0 40 DDAB CC1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 4515979 JKADRNPAFRHSPA-GUYCJALGSA-N 321.421 1.746 0 40 DDAB COc1ccc(CCN[C@@H]2CCCS(=O)(=O)C2)cc1OC 69135090 QUUIZIIEIIWLRM-CYBMUJFWSA-N 313.419 1.413 0 40 DDAB O=C(CCCCCn1nnc2ccccc2c1=O)N1CCCC1 6658700 DLRZSOHFVMBFQW-UHFFFAOYSA-N 314.389 1.974 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)c1 70013823 PUYUIHWZBMJKOI-AWEZNQCLSA-N 324.388 1.778 0 40 DDAB Cc1cc(C)c(C(=O)COC(=O)CCCNC(N)=O)cc1C 5944215 PYNDQCYHJPWNON-UHFFFAOYSA-N 306.362 1.786 0 40 DDAB Cc1cccn2cc(Cn3c(-c4ccccn4)noc3=O)nc12 69533705 XVJBVJRJRKBOAS-UHFFFAOYSA-N 307.313 1.903 0 40 DDAB Cc1ccccc1C(C)(C)CNC(=O)N[C@@H]1CCS(=O)(=O)C1 69570558 FTUYSOMPIVVSPC-CYBMUJFWSA-N 324.446 1.759 0 40 DDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1ccc(C)s1 69660656 WHAVFWJGEYVYQK-LBPRGKRZSA-N 312.460 1.979 0 40 DDAB CCN(C(=O)CN[C@@H]1CCc2ncnn2C1)C1=CCCCC1 69894920 HMAULVGBWMVXFM-CYBMUJFWSA-N 303.410 1.489 0 40 DDAB CCOCCN1CCN(Cc2noc(C3CC3)n2)C[C@H]1CC 69972468 ZLSGLDRBYMRERJ-CQSZACIVSA-N 308.426 1.880 0 40 DDAB Cn1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]4OCC[C@H]34)C2=O)cn1 89755852 BAQNKUUHKYQDFY-LVQVYYBASA-N 318.421 1.463 0 40 DDAB Cc1noc([C@H](C)S(=O)(=O)Cc2nc(C(C)(C)C)no2)n1 89718560 WTODDOZVSQGZRH-ZETCQYMHSA-N 314.367 1.735 0 40 DDAB C[C@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)[C@H]1CCOC1 89894364 GDBAQKMQLDVQLI-MKBNYLNASA-N 310.369 1.757 0 40 DDAB CN1[C@@H](Cc2cccn2C)[C@@H](O)c2ccccc2S1(=O)=O 9481231 CCPQDKVWIVLSQJ-ZFWWWQNUSA-N 306.387 1.304 0 40 DDAB COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cn1 23683558 XZLXDIHQQFPKTJ-UHFFFAOYSA-N 306.343 1.746 0 40 DDAB CC(C)[C@@H](CNC(=O)NCc1ccncc1)N1CCN(C)CC1 71798617 ICCDEUOZJUOKAI-MRXNPFEDSA-N 319.453 1.153 0 40 DDAB OC[C@H]1CCCN1c1cc(NCCc2nccs2)ncn1 72276225 HHHIMGAHJQDGFF-LLVKDONJSA-N 305.407 1.549 0 40 DDAB Cc1ccn(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)c1 71857502 UAZVBWNGYIXQPL-UHFFFAOYSA-N 320.370 1.199 0 40 DDAB c1cc2c(cc1CN1CCn3c(nnc3C3CC3)C1)OCCO2 71880269 PNKXTRQORVUGAE-UHFFFAOYSA-N 312.373 1.943 0 40 DDAB CCO[C@@H]1CCCN(S(=O)(=O)c2sc(C)nc2C)C1 72313165 WUCJPVJGLHYKPP-LLVKDONJSA-N 304.437 1.950 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCCCCC1 72405826 IHKAJIJITAYMRT-UHFFFAOYSA-N 303.406 1.915 0 40 DDAB CC(C)[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)c2ccccc2N1 84456634 YAMLLJMQWDKYJG-GDBMZVCRSA-N 303.406 1.800 0 40 DDAB 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DDAB O=C(CC1(O)CCCCC1)N1CCC[C@@H](C(=O)N2CCCC2)C1 81385872 FOVJFWUCFAARDL-OAHLLOKOSA-N 322.449 1.933 0 40 DDAB O=P(OCC(F)(F)F)(N1CCOCC1)N1CCOCC1 370526 QISALQNQBJUADY-UHFFFAOYSA-N 318.232 1.338 0 40 DDAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1 414505 HTQQFZBQJVAVPL-UHFFFAOYSA-N 324.344 1.570 0 40 DDAB O=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(F)c1F 4410896 LIUSCLYEBGVJRP-UHFFFAOYSA-N 304.249 1.738 0 40 DDAB CC1=C(C(=O)N(C)C)[C@@H](c2c(F)cccc2F)NC(=S)N1 7553483 BDRYBPAFIXZRCX-LBPRGKRZSA-N 311.357 1.846 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccco2)cc1 33208010 GXFAVQXWBBKWPN-NSHDSACASA-N 322.386 1.549 0 40 DDAB COCCN(Cc1ccc(C)o1)C(=O)Nc1cccn(C)c1=O 89656049 YYYMUBJNSZETIW-UHFFFAOYSA-N 319.361 1.967 0 40 DDAB COc1ccc2cnn(-c3nc(C)cc(O)n3)c(=O)c2c1OC 12176688 AWDLPINZSSARFM-UHFFFAOYSA-N 314.301 1.207 0 40 DDAB CCCc1nc(CN2CCC(c3nnc4n3CCC4)CC2)no1 54990066 NNJGAUMNHOUBJN-UHFFFAOYSA-N 316.409 1.939 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 47173359 ACYHEFUYJQWADA-CYBMUJFWSA-N 322.430 1.909 0 40 DDAB COCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 61494631 MDTIXWMBAILZKP-TXEJJXNPSA-N 308.382 1.463 0 40 DDAB CCn1cnnc1C1CCN(CC(=O)N2CCCCC2)CC1 105929435 JHDYICYZYBTFBL-UHFFFAOYSA-N 305.426 1.490 0 40 DDAB CC(C)N1[C@@H]2CC[C@@H]1CN(C(=O)c1nccn3ccnc13)CC2 102702253 KWGQDGWWKNZJAB-ZIAGYGMSSA-N 313.405 1.817 0 40 DDAB Nc1nccnc1C(=O)N1CCN(c2ccc(F)cc2)CC1 12551275 CHUQXWGDDIPEFX-UHFFFAOYSA-N 301.325 1.160 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)o1 56312650 DUKCIUUQBZEBCB-LBPRGKRZSA-N 320.370 1.904 0 40 DDAB Nc1nc(CSc2n[nH]c(N)n2)nc(Nc2ccccc2)n1 12549381 IKFAHQWQBYZTPR-UHFFFAOYSA-N 315.366 1.190 0 40 DDAB CCc1ccc(OCC(=O)N2CCC(C(=O)NC)CC2)cc1 23180584 YYTKHVFDAMWTHU-UHFFFAOYSA-N 304.390 1.612 0 40 DDAB COc1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)cc1F 44648958 KSRGLOSOMVCZNA-UHFFFAOYSA-N 323.368 1.597 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCC(=O)NC1)CC2 47947168 LFUDLSAXJYLRKL-LBPRGKRZSA-N 318.373 1.115 0 40 DDAB COc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cn1 27596101 JASATTYFQAOTLR-LBPRGKRZSA-N 313.361 1.735 0 40 DDAB CCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 44873505 DTONWALXUAXYHI-NSHDSACASA-N 306.387 1.578 0 40 DDAB CCC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 58247703 ZGQHECDMONVJIF-UHFFFAOYSA-N 324.446 1.975 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1c(F)cccc1F 44936014 VMPAXFFRWJETLJ-VIFPVBQESA-N 301.318 1.528 0 40 DDAB CN(CCCNS(=O)(=O)c1cnn(C)c1)c1ccccc1 44937195 ABJHRFHEYMUMTI-UHFFFAOYSA-N 308.407 1.225 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)N1CCC(CO)CC1 44972014 TYNFHJNDVWTOEM-UHFFFAOYSA-N 322.361 1.208 0 40 DDAB C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)S(C)(=O)=O 44950174 XLLLKYWLAKPLOJ-ZWNOBZJWSA-N 315.366 1.159 0 40 DDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC2(CC1)OCCO2 28077899 SOJDVMLNVJABIW-GFCCVEGCSA-N 315.373 1.823 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCNc1ncccn1 48010161 HNRJAHNLDKUBTB-FZMZJTMJSA-N 314.345 1.233 0 40 DDAB COC(=O)c1ccccc1Cn1nnn(-c2cccs2)c1=O 48326948 YRVBQFRMIRMHLM-UHFFFAOYSA-N 316.342 1.325 0 40 DDAB C[C@@H](c1ccccc1Cl)n1cnc2c1c(=O)n(C)c(=O)n2C 5172998 ITQCGYMSTHFHJR-VIFPVBQESA-N 318.764 1.696 0 40 DDAB O=C(O)C[S@](=O)CC(=O)NCc1ccc(Cl)c(Cl)c1 5248694 WRFWJTMQFIJZBL-IBGZPJMESA-N 324.185 1.443 0 40 DDAB COc1ccc([C@@H](NC(=O)CCn2cncn2)C2CC2)cc1 65451973 UGLMVINWIZOVGO-INIZCTEOSA-N 300.362 1.944 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(N(C)C)nc1)C(=O)NC(C)(C)C 65610664 KCNUQWPTTHRQCW-SNVBAGLBSA-N 307.398 1.572 0 40 DDAB CCNC(=O)CCN1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 65605612 GQJMORUKUBVPOR-HUUCEWRRSA-N 311.470 1.334 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1 5488390 JBEFGZGCNLBXSI-UHFFFAOYSA-N 315.358 1.772 0 40 DDAB CC(C)COc1ccc(C(C)(C)CNS(N)(=O)=O)cc1 69842834 CUTAQHMHLGVLHH-UHFFFAOYSA-N 300.424 1.792 0 40 DDAB O=C(CSc1cccc[n+]1[O-])NC(=O)NCc1ccccc1 5780009 AYIANIUGJZTDOG-UHFFFAOYSA-N 317.370 1.438 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)NCC1(C)CCCC1 66597485 VRGZTKRXSQYQKB-UHFFFAOYSA-N 319.471 1.538 0 40 DDAB COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 6882028 BIMKIZACGLVLMW-LLVKDONJSA-N 302.330 1.723 0 40 DDAB COc1ccc(COC[C@@H](O)CNCC(C)(C)CN(C)C)cc1 6906524 ZYVNGCUKCCLAHW-INIZCTEOSA-N 324.465 1.750 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@H]1CSc2ccccc21 92237634 YJARHYAWNMTBCX-HZMBPMFUSA-N 309.412 1.952 0 40 DDAB CN1CCN(Cc2cc(CN3CCCC3)cs2)C[C@@H]1C(=O)O 67432383 AKQCWHIZMIXBEA-OAHLLOKOSA-N 323.462 1.545 0 40 DDAB CS(=O)(=O)CCSc1nnc(Cc2cccc(F)c2)o1 67753643 XYSVZFCTHFZXMM-UHFFFAOYSA-N 316.379 1.936 0 40 DDAB COCCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7718421 OCSQNTQAURPQEO-CQSZACIVSA-N 312.369 1.955 0 40 DDAB O=C(COC(=O)c1ccoc1)Nc1ccc2c(c1)OCCO2 16157177 WCJKFLROOJVUCL-UHFFFAOYSA-N 303.270 1.846 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 71144998 CSDQTNZLCZEEJY-QMMMGPOBSA-N 308.325 1.334 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)Nc2c3c(nn2C)CCC3)cc1 83882273 KEIWJVDWWWNRLD-DHZHZOJOSA-N 324.384 1.920 0 40 DDAB COC(=O)c1sccc1NS(=O)(=O)c1c(C)n[nH]c1C 9114174 PTLXEFQSOWFNMA-UHFFFAOYSA-N 315.376 1.675 0 40 DDAB Cn1cc([C@@H]2CCCN2CC(=O)NCCc2ccsc2)cn1 71797173 PSQVRLKXWIIFJL-HNNXBMFYSA-N 318.446 1.977 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3cnccn3)CC2)n1 71829230 PAGMIJIOULDXOR-CQSZACIVSA-N 314.393 1.200 0 40 DDAB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(O)nn1 71883535 SOVKASJTCWLCRU-SNVBAGLBSA-N 320.299 1.469 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC(N2CCNC2=O)CC1 71835026 UEQBGFQKYAJAKB-QWHCGFSZSA-N 303.362 1.399 0 40 DDAB COc1ccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 71829864 YWZGJPZGKUXHJP-GXTWGEPZSA-N 304.390 1.740 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cnn3cccnc23)c1 71865833 BQTHRKZRSFTRPL-AWEZNQCLSA-N 324.388 1.929 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Sc1ncccn1 79044015 ZEYPOCBRTPPYPW-GHMZBOCLSA-N 310.423 1.234 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCCCC1 72282354 JADBJDPIYYCYFL-DZGCQCFKSA-N 315.483 1.664 0 40 DDAB Cc1cccc(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 72269502 QHRQJLNSZGMUGU-QZTJIDSGSA-N 316.445 1.985 0 40 DDAB Cc1ccc([C@H](CNCc2ncc[nH]2)N2CCOCC2)s1 72273393 SAZUVMGPHXNEFP-ZDUSSCGKSA-N 306.435 1.943 0 40 DDAB C[C@H](Cn1cccn1)NCc1ccccc1CN1CCOCC1 97095497 VSLLBZRVGUPLKS-MRXNPFEDSA-N 314.433 1.894 0 40 DDAB CN(C)c1ccc(C(=O)NC2(CCO)CCOCC2)c(F)c1 97143301 WEXBXTIBWQOETL-UHFFFAOYSA-N 310.369 1.553 0 40 DDAB COc1ccc(OC)c(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)c1 97163915 QFKUIDOYQLIWHT-YGRLFVJLSA-N 315.391 1.301 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cc(F)ccc1F 72300597 DWDCSSLYJUNAMS-HZMBPMFUSA-N 318.389 1.724 0 40 DDAB CC(C)[C@H](Nc1nnc(C(F)F)s1)C(=O)N1CCOCC1 95449474 XWWMPPGAZKWFLU-QMMMGPOBSA-N 320.365 1.771 0 40 DDAB COCC(=O)N(C)CC(=O)NC1CCC(c2ccccc2)CC1 95442287 XQVUSAYBFSLGDU-UHFFFAOYSA-N 318.417 1.934 0 40 DDAB NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCc2ccc(F)cc2F)O1 95434047 TXGWZSUVHHMCML-AAEUAGOBSA-N 312.316 1.047 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)O 88376973 TUSOUCPDBUQAOH-SNVBAGLBSA-N 319.766 1.123 0 40 DDAB COc1ccc2cnn(CN3CCCCC3)c(=O)c2c1OC 79488753 IFAWNRVELVQRAP-UHFFFAOYSA-N 303.362 1.857 0 40 DDAB Cn1ncc(C(=O)N[C@H]2CCOC(C)(C)C2)c1-n1cccc1 79494981 AGWDGUIIPMOQQF-LBPRGKRZSA-N 302.378 1.898 0 40 DDAB CN(C)S(=O)(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984253 GLLQLMVLKNOFDM-RYUDHWBXSA-N 304.799 1.566 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@@H](c2ncc[nH]2)C1 95972683 MKYOAPVSWLFKHR-ILXRZTDVSA-N 309.410 1.146 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 74448254 MBMYFKJLJAGERE-UKRRQHHQSA-N 318.421 1.166 0 40 DDAB Cc1cc(O)cc(=O)n1CCn1c([C@H](C)O)nc2ccccc21 1547200966 PWSKXQJKVZLHGK-LBPRGKRZSA-N 313.357 1.966 0 40 DDAB Cn1cc(/C=C\C(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 32467513 GRQDAZJSOPRGOS-PLNGDYQASA-N 314.345 1.011 0 40 DDAB Cc1cccc(S(=O)(=O)NC[C@H](O)COc2ccccc2)c1 532774857 WNFQWUMHFFTBEI-AWEZNQCLSA-N 321.398 1.713 0 40 DDAB Cc1cc(C(=O)Nc2cnn(C)c2)nc(N2CCCCC2)n1 72239797 GPZNYTBJGFNCBT-UHFFFAOYSA-N 300.366 1.761 0 40 DDAB O=C(O)c1c[nH]c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O 78401840 YSUTUPLMPQXORZ-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB O=C(NCC(F)(F)F)c1coc(NC(=O)c2cnccn2)n1 75157990 SIRPNMRHBYGAOE-UHFFFAOYSA-N 315.211 1.009 0 40 DDAB O=C(CO)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72359082 OWKRBPPULURZET-LBPRGKRZSA-N 315.348 1.981 0 40 DDAB CO[C@@H]1CCC[C@@H]1OC(=O)Cn1c(=O)cnc2ccccc21 78985201 ZKXUDKMUMBPHEC-KGLIPLIRSA-N 302.330 1.507 0 40 DDAB C[C@@]1(NC(=O)NCc2ccc(Cn3cccn3)cc2)CCOC1 195546144 KQEQIBPRJBJCEH-QGZVFWFLSA-N 314.389 1.910 0 40 DDAB COc1cc(OC)c([C@H](N)CC(=O)O)cc1Br 44216351 SGCNBWHVFAYVHK-MRVPVSSYSA-N 304.140 1.941 0 40 DDAB O=C(NCc1ccccc1)N1CCN(C[C@@H](O)C2CC2)CC1 85466779 UGIGYLPCEWHGNV-MRXNPFEDSA-N 303.406 1.285 0 40 DDAB Nc1nnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 222645409 GINHRMKAEVGXPE-SNVBAGLBSA-N 324.431 1.689 0 40 DDAB CCc1noc(C2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)n1 97234084 AUZZJGBDBDRQHO-HTAVTVPLSA-N 313.423 1.435 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCc2cnccc21 97098112 KCPQTMXGDGVIBP-GOSISDBHSA-N 321.380 1.944 0 40 DDAB COCC(=O)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96208543 KXNVFKBNBUXJNL-RDJZCZTQSA-N 320.389 1.395 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1)N1CCCC1 96057611 OEAWTVWOJWWFQZ-GVDBMIGSSA-N 315.417 1.683 0 40 DDAB CCN(CC)C[C@@H]1OC[C@@H](NC2Cc3ccccc3C2)[C@H]1O 514288500 GLBNZMKHMLFHFU-FGTMMUONSA-N 304.434 1.214 0 40 DDAB biogenic,in-vitro Cn1cc(N2CC[C@@H](NC(=O)c3ccc(O)c(Cl)c3)C2)cn1 96410560 PYTGHBBUUZFUHS-LLVKDONJSA-N 320.780 1.788 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc(C)cc1 96245806 SBBZZUZDVRNFIW-LSDHHAIUSA-N 317.389 1.849 0 40 DDAB O=C([C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@H]1O2)N1CCOCC1 96253221 VRMIHCVGWSDCCA-IXDOHACOSA-N 316.401 1.135 0 40 DDAB COC(=O)[C@@H]1CCN(CC2(CN3CCOCC3)CCCCC2)C1 96489882 XWTSCJNHZZEYPL-MRXNPFEDSA-N 324.465 1.764 0 40 DDAB Cn1cc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)nn1 96096895 OJNVQLIEYODTKE-UHFFFAOYSA-N 321.768 1.547 0 40 DDAB Cc1ccc(Nc2nc3nonc3nc2Nn2cnnc2)c(C)c1 98063821 UPUJMVZFMOYKBP-UHFFFAOYSA-N 323.320 1.840 0 40 DDAB CCN1C(=O)[C@H](c2ccccc2)CC12CCN(CCO)CC2 96261155 LJBCSUROBZPEIH-INIZCTEOSA-N 302.418 1.849 0 40 DDAB COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242722733 XSXFOGHGWCUQCY-YNEHKIRRSA-N 303.811 1.442 0 40 DDAB CC1=NNC(=O)[C@H]1[C@H](c1ccccc1Cl)[C@H]1C(=O)NN=C1C 248006377 HJKZSTIQINGLLG-ITGUQSILSA-N 318.764 1.667 0 40 DDAB COCCC(=O)N1CCC[C@H](c2cc3cncn3c(C)n2)C1 257236526 HCPBQXXTRPZSDB-ZDUSSCGKSA-N 302.378 1.780 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)n1 257259956 LATWOTMXLHHUFE-LLVKDONJSA-N 309.757 1.168 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1 257286319 PLDBHNFADFYHHV-AWEZNQCLSA-N 306.410 1.402 0 40 DDAB CC(C)Oc1ccc([C@H]2CN(S(C)(=O)=O)CCN2C)cc1 257302228 SCAFDUOJKDLGET-OAHLLOKOSA-N 312.435 1.722 0 40 DDAB COc1ccc([C@@H]2CNCCN2CC(=O)N2CCCCC2)cc1 257332322 XWTPXXNKGQCSOD-KRWDZBQOSA-N 317.433 1.654 0 40 DDAB O=C(NCCc1ccncc1)c1ccnc(O[C@H]2CCOC2)c1 252487327 HUHLDUCWTAXXNI-HNNXBMFYSA-N 313.357 1.617 0 40 DDAB CN(C)[C@H]1CCN(C(=O)c2noc3c2CCCC3)CC[C@@H]1O 257278917 OEDXNUIMWAVKEI-STQMWFEESA-N 307.394 1.081 0 40 DDAB CN(C)Cc1cnc([C@H]2CN(Cc3ccccn3)CCO2)[nH]1 257316295 VEZDJMIWSYJNGB-OAHLLOKOSA-N 301.394 1.440 0 40 DDAB COCC(=O)N1CC[C@H](Cc2cccc(-c3cc[nH]n3)n2)C1 257260803 LELIWOYZIONZLT-GFCCVEGCSA-N 300.362 1.509 0 40 DDAB COc1ccccc1CC(=O)N1CCO[C@@H](c2nc(C)c[nH]2)C1 257306901 SWMRPQOYJSPEPZ-OAHLLOKOSA-N 315.373 1.869 0 40 DDAB Nc1cccc(CC(=O)NCCc2ccc3c(c2)OCCO3)c1 261808125 VJTXSBZRJFDWOI-UHFFFAOYSA-N 312.369 1.941 0 40 DDAB O=C(O)Cn1cnc(NC(=O)C[C@@H]2CCc3ccccc32)n1 647780500 AAPNYHSCNBQECU-NSHDSACASA-N 300.318 1.421 0 40 DDAB COc1ccc2[nH]nc(NC(=O)[C@@H]3Cc4ccccc4O3)c2c1 390835189 GFKDBUXMFHBHBW-HNNXBMFYSA-N 309.325 2.514 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2cccc(C(F)(F)F)c2)[C@@H]1O 585290600 FYIPUUXADNQWAQ-MCIONIFRSA-N 319.323 1.912 0 40 DDAB OC[C@@]1(Cc2ccccc2F)CN(Cc2ncc[nH]2)CCO1 585277370 VLMLFGJDXPIGPI-MRXNPFEDSA-N 305.353 1.355 0 40 DDAB Cc1cc(C)n(C[C@@H](C)NCc2c(C)nn(C)c2N(C)C)n1 65552438 UZJPXFXLMLQPST-GFCCVEGCSA-N 304.442 1.786 0 40 DDAB O=C(NCCCO)Nc1cccc(I)c1 65610197 GIFDJHCKHYDBDN-UHFFFAOYSA-N 320.130 1.795 0 40 DDAB N[C@@H]1CN(C(=O)NCc2cccc3c2OCCO3)CC12CCC2 1553541452 VFEJBNOPAXRCFQ-CQSZACIVSA-N 317.389 1.481 0 40 DDAB CN(CC(C)(CO)CO)C(=O)c1occc1Br 97236680 DDJKZEHYOOJPGF-UHFFFAOYSA-N 306.156 1.105 0 40 DDAB O=C(C[C@@H](C(=O)O)N1CCOCC1)Nc1cccc(Cl)c1 5631995 HHHZTBILHNCLBN-LBPRGKRZSA-N 312.753 1.454 0 40 DDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O 12974474 IOZKVHKGJCQOAJ-QMMMGPOBSA-N 321.299 1.118 0 40 DDAB Cc1cc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)n(C)n1 13596533 CPIVGOZMBWWLAR-UHFFFAOYSA-N 307.375 1.313 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 16321361 QHDWIRMETNMGCB-KGLIPLIRSA-N 312.391 1.227 0 40 DDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC)cc1Cl 16692455 SSHPDKLGDYVQSD-UHFFFAOYSA-N 320.798 1.105 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cc(C)ccc1C 17053746 UPBOCSUILIFYRE-GFCCVEGCSA-N 316.357 1.825 0 40 DDAB O=C(c1ccccc1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19368923 CJMMUQPXZTVCGM-AWEZNQCLSA-N 308.385 1.752 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 169355702 CFAKMWKKUOCHFS-VOAKCMCISA-N 311.378 1.747 0 40 DDAB Cc1cc(C)n([C@@H](CNC(=O)[C@@H]2CCOC2)c2ccco2)n1 575605741 SBZDYOVEWOTROB-KGLIPLIRSA-N 303.362 1.835 0 40 DDAB Cc1cnn(-c2cc(N3CCN(c4ccccn4)CC3)ncn2)c1 1888888080 VDWIPBHXLOVORX-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccc(F)c(F)c1F 36885615 HETFVUNMOZZALP-UHFFFAOYSA-N 323.292 1.589 0 40 DDAB COC[C@@H](C)NC(=O)CSc1nc(N)c2ccsc2n1 21762310 CXMXJFXWEDXEJI-SSDOTTSWSA-N 312.420 1.517 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)c1ccnn1C)CC2 1565548409 BSDLUAZKOGWFOE-UHFFFAOYSA-N 319.453 1.052 0 40 DDAB O=C(N1CCc2c(n[nH]c2CN2CCCC2)C1)C1(F)CCC1 1565546367 ZGDOHNDRSISAIP-UHFFFAOYSA-N 306.385 1.782 0 40 DDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccco3)cnc21 10250955 IELFLIYSYKNWME-UHFFFAOYSA-N 301.306 1.325 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(F)cc1Cl 217602669 ATXDMTPVBOLZPZ-BXKDBHETSA-N 315.728 1.882 0 40 DDAB Cc1cc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(N)n1 49410992 QLYYEXXCCRDSDB-UHFFFAOYSA-N 306.753 1.104 0 40 DDAB O=C(NCC[C@H](CCO)c1ccsc1)C(=O)Nc1ccon1 618255684 VYMUAGACWCLIOY-SNVBAGLBSA-N 323.374 1.347 0 40 DDAB c1ccc(CN2C[C@H]3CN(c4ncnc5nc[nH]c45)C[C@H]3C2)cc1 280542134 SNEBCRJWHMBQOU-GASCZTMLSA-N 320.400 1.921 0 40 DDAB O=c1[nH]c(SCc2ccc(F)cc2)nc2c1cnn2CCO 7417990 VWJQZDOEAJDJAL-UHFFFAOYSA-N 320.349 1.543 0 40 DDAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccon2)cc1 96103243 BLDOYFODGUEORM-NSHDSACASA-N 321.358 1.185 0 40 DDAB O=C(O)C1CCN(C(=O)c2ccc(Br)o2)CC1 35170 DFRTYSAJABXLFV-UHFFFAOYSA-N 302.124 1.979 0 40 DDAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCc1ccccc1Cl 11405613 VIEVNNYUGRWADR-UHFFFAOYSA-N 324.793 1.730 0 40 DDAB C[C@@]12CSCC(=O)N1[C@@H](C(=O)NCc1ccco1)CS2 40554105 WYTXEQFOTAUHAT-ZWNOBZJWSA-N 312.416 1.303 0 40 DDAB COCCNC(=O)COC(=O)c1nsc(Cl)c1Cl 4388381 HTSLDEAIFQHMQR-UHFFFAOYSA-N 313.162 1.369 0 40 DDAB CNC(=S)N1CCC(NC(=O)c2cccc(OC)c2)CC1 4888538 SQWBWJSHEUWFSB-UHFFFAOYSA-N 307.419 1.394 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 7308407 XXGHEXQRYGAXFL-LBPRGKRZSA-N 317.432 1.077 0 40 DDAB CS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1 350284 COTSYDWGSIOCTD-UHFFFAOYSA-N 318.358 1.958 0 40 DDAB Cc1cnc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 101852928 XQVCGYZHUNMAQJ-GHMZBOCLSA-N 321.402 1.955 0 40 DDAB COc1ccc(CNC(=O)COC(=O)c2ccncc2)cc1 2637382 OMWMMMBZBSRTEO-UHFFFAOYSA-N 300.314 1.563 0 40 DDAB CS(=O)(=O)CCCNC(=O)CCSc1ccccc1 60558676 KIQQNLHOHRDIST-UHFFFAOYSA-N 301.433 1.720 0 40 DDAB COc1cc(CC(=O)/N=c2/sccn2C)cc(OC)c1OC 102842715 NKJHIEJOXJMUAD-FOCLMDBBSA-N 322.386 1.782 0 40 DDAB Cn1nc(Oc2nc(Cl)nc(NC(C)(C)C)n2)ccc1=O 529429 MWUFYLROHQHXOW-UHFFFAOYSA-N 310.745 1.621 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 100307560 FFPRYSXUVZEAQK-ZAQNNHEOSA-N 308.337 1.385 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 42366687 XLEKUPMLKRDCEK-CHWSQXEVSA-N 316.361 1.030 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1 42636335 DQIQTFXCDYNGAB-HNNXBMFYSA-N 316.405 1.309 0 40 DDAB CC(C)Cc1nc(CSc2nnnn2C[C@H]2CCCO2)no1 43075048 MNFYQQMOWCBNHB-SNVBAGLBSA-N 324.410 1.726 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3ccccc3F)C[C@@H]21 108529766 XFBKDMUZRCAKDN-HOTGVXAUSA-N 322.380 1.387 0 40 DDAB CN(Cc1cccc(Cl)c1)Cc1nc(N)nc(N(C)C)n1 24833546 XYXLMXSYXUQBRK-UHFFFAOYSA-N 306.801 1.805 0 40 DDAB Cc1[nH]c2c(C(=O)N[C@H]3CCS(=O)(=O)C3)cccc2c1C 24801258 UCPFZDUPEFXIAK-NSHDSACASA-N 306.387 1.702 0 40 DDAB COC(=O)c1ccc(C(=O)NCc2nnc3ccccn23)cc1 7898703 MLENCBOCUVSBRX-UHFFFAOYSA-N 310.313 1.446 0 40 DDAB CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20492794 ZMRSSFOMPIQLPL-NSHDSACASA-N 318.782 1.003 0 40 DDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cccs1 1441664 OITYULKGRPWBQY-LBPRGKRZSA-N 323.399 1.779 0 40 DDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@@H]2CCC[C@H]21 106829982 GQHVQYXQTHNJCV-RBSFLKMASA-N 316.405 1.473 0 40 DDAB Cc1c(NCc2nnnn2-c2ccccc2)cccc1C(N)=O 55839030 RTIZFVMZYDXSJR-UHFFFAOYSA-N 308.345 1.682 0 40 DDAB Cc1ccc(C)c([C@H](C)NCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 57456765 JNEKDFZFRVTCIW-KBPBESRZSA-N 324.446 1.257 0 40 DDAB Cn1ncc2c(N[C@H]3CCCc4c3cnn4CCO)ncnc21 58195470 VQZDFONZQQASQF-LBPRGKRZSA-N 313.365 1.042 0 40 DDAB COCCOCCCNC(=O)c1ccc(-n2cc(C)cn2)cc1 58291474 HHBYQORUVADTDH-UHFFFAOYSA-N 317.389 1.964 0 40 DDAB Cc1c(Cl)cccc1NC(=O)CN1CCC(C(N)=O)CC1 3351326 IIXQXWYDOKMLPN-UHFFFAOYSA-N 309.797 1.784 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N(Cc1ccco1)C1CC1 48232081 GHSZQIJLSXPMKH-NSHDSACASA-N 312.391 1.388 0 40 DDAB CONC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 48345877 ATPVCUISXLPVTJ-SNVBAGLBSA-N 313.151 1.480 0 40 DDAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(N)=O 3483438 NPBYXKOPJWHOCN-VIFPVBQESA-N 302.286 1.563 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)c1c(F)cccc1F 48963488 RWYUZIRVRLPTGS-UHFFFAOYSA-N 320.361 1.366 0 40 DDAB C[C@H](Sc1nncs1)C(=O)NC[C@H](O)c1ccccc1 48911791 PVBACJOLUDRCHH-ONGXEEELSA-N 309.416 1.869 0 40 DDAB CC(C)NC(=O)CN(C)Cn1c(=O)oc2cc(Cl)ccc21 16874759 CYWKLARFBISDOY-UHFFFAOYSA-N 311.769 1.662 0 40 DDAB Cn1ncc2c(=O)n(Cc3noc(-c4cccs4)n3)cnc21 69366851 PNMOJBFERCZPHS-UHFFFAOYSA-N 314.330 1.290 0 40 DDAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4197472 QGKIVHLGDKAKBZ-XQHKEYJVSA-N 307.733 1.610 0 40 DDAB Cc1ccc(C)c(NC(=O)CSc2nnc(CCN)o2)c1 5112101 GDEXMMRHMCSHHG-UHFFFAOYSA-N 306.391 1.918 0 40 DDAB CCCCc1nnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)s1 4392576 MBCFAAAYKLHOLQ-SECBINFHSA-N 317.436 1.644 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)c1cnn(C)c1 69454739 DCGJYRGMAKQMFO-UHFFFAOYSA-N 301.346 1.544 0 40 DDAB Cc1cc(NC(=O)CCN2C(=O)COc3ccccc32)on1 69490638 MJPZMLROZCKSCV-UHFFFAOYSA-N 301.302 1.737 0 40 DDAB Cn1ncc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc21 14198995 XLXULKBVTJNJIR-UHFFFAOYSA-N 322.372 1.326 0 40 DDAB CCN1CCN(C2CCN(c3nccc(OC)n3)CC2)C1=O 69518188 WCHOKUDKPUNOHL-UHFFFAOYSA-N 305.382 1.212 0 40 DDAB C[C@H](OCC1CC1)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69773858 ZGVOZLNBBQSHGM-AWEZNQCLSA-N 320.437 1.270 0 40 DDAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@H]1Cn1cccn1 69742094 PQASHZDHJIBLKG-ZDUSSCGKSA-N 309.373 1.993 0 40 DDAB CCOCCN1CCN(Cc2cccc3c2OCCO3)CC1 69741405 CGPFZUVLFGIOGC-UHFFFAOYSA-N 306.406 1.612 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)CN(CC(F)(F)F)C2CCC2)C1 90006995 VZXJLMRJAUJEJS-JTQLQIEISA-N 321.343 1.127 0 40 DDAB OCCN(Cc1ccccc1)C[C@H](O)COC[C@@H]1CCCO1 68048911 HFQOHCQKYAXMMO-IRXDYDNUSA-N 309.406 1.037 0 40 DDAB CCOc1ccccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 8844443 LODWYXBFFGWGMB-SNVBAGLBSA-N 319.404 1.014 0 40 DDAB O=C1NC(=O)C2(Cc3c(Cl)cccc3N3CCC[C@H]32)C(=O)N1 8973728 GOXKBAQIYNMXQN-NSHDSACASA-N 319.748 1.217 0 40 DDAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1ccccn1 71284795 YBDKQYITXOBTDX-UHFFFAOYSA-N 302.359 1.066 0 40 DDAB Cc1ccc2[nH]c(C(=O)NC3CCN(CC(N)=O)CC3)cc2c1 71796188 JENKPUNIGXRQDG-UHFFFAOYSA-N 314.389 1.156 0 40 DDAB Cn1ncc(C(=O)OCCOc2cccnc2)c1-n1cccc1 96442246 FLUMOPIWERARGD-UHFFFAOYSA-N 312.329 1.842 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(CC2CC2)C1 71802761 LKVFRAKZHWRDHD-GFCCVEGCSA-N 308.378 1.149 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H](C(C)C)n2cncn2)c1 71869874 OIRFVTXRPPSTTK-GJZGRUSLSA-N 316.409 1.671 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)N(C)c2nccs2)c1 71875946 LIYNMENJNHPYAV-CYBMUJFWSA-N 319.434 1.775 0 40 DDAB Cc1nn2cccnc2c1C(=O)OCc1ccccc1C(N)=O 72273559 IGPZHMUWQIPYQT-UHFFFAOYSA-N 310.313 1.494 0 40 DDAB Cn1nc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1=O 72272329 PBXXXKAFWZGDCX-JTQLQIEISA-N 304.375 1.257 0 40 DDAB COc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc1-n1cnnn1 97081390 KKGYGEPLNKUWJW-QWRGUYRKSA-N 301.350 1.684 0 40 DDAB CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nc(N)nc(N(C)C)n1 89948138 WQGBLOSKPXPWBE-VXGBXAGGSA-N 322.457 1.545 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)C(=O)Nc1cc(C)no1 89948671 HNZNHRZINPGVEG-IACUBPJLSA-N 322.409 1.547 0 40 DDAB Cc1n[nH]cc1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 72302813 AITOXTKDYZKICF-NSHDSACASA-N 311.349 1.249 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2ccc(Cl)nc2)C1 72344079 TYAWHIGCCVVWCZ-LLVKDONJSA-N 303.815 1.406 0 40 DDAB CC1(C)CN(CC(=O)N2CCNC(=O)C2)c2cccc(Cl)c21 75572889 WDXINPSWZUDBBK-UHFFFAOYSA-N 321.808 1.396 0 40 DDAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(CCO)CC1 75572606 ASDVMTVZSKPHBQ-NEPJUHHUSA-N 308.344 1.492 0 40 DDAB Cc1nc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)no1 76084734 CYFOTXHXDDVDFN-LLVKDONJSA-N 309.395 1.542 0 40 DDAB O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C1=CCCC1 95446274 PPKLDEKUNASVJZ-SJORKVTESA-N 300.402 1.848 0 40 DDAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCNS(C)(=O)=O 76957309 QFQBLWWPWVATRE-UONOGXRCSA-N 310.419 1.154 0 40 DDAB Cn1cc(NC(=O)c2ccncc2)cc(Br)c1=O 88214017 KBTAEIUMEMIFEX-UHFFFAOYSA-N 308.135 1.795 0 40 DDAB O=C(COc1cccc(Cl)c1)N1CCOC[C@H]1c1ncon1 95981467 PDVVBDLINHGDEJ-LBPRGKRZSA-N 323.736 1.702 0 40 DDAB O[C@H]1c2ccccc2C[C@@H]1N1CCCN(c2ncccn2)CC1 95987357 PRBUNCXHVUTBML-IRXDYDNUSA-N 310.401 1.647 0 40 DDAB COc1ccc(CN2C(=O)CO[C@H]3CN(CC4CC4)C[C@H]32)cc1 67897235 HWIJCQSLIOVNGZ-SJORKVTESA-N 316.401 1.517 0 40 DDAB biogenic,in-vitro CN(Cc1ncccn1)[C@H]1CCN(C(=O)N[C@@H]2C=CCCC2)C1 518276077 IAIKUWVAVWHUCF-CABCVRRESA-N 315.421 1.801 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 79410015 VOYHZWJTSDQRTP-STQMWFEESA-N 313.442 1.733 0 40 DDAB CCN(C(=O)CN)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392884 ZYOSTONHJZEJPE-AWEZNQCLSA-N 305.378 1.205 0 40 DDAB O=C(CSc1ccc(-n2ccnc2)nn1)Nc1cccnc1 70688654 PSCGOBGEBPAZJE-UHFFFAOYSA-N 312.358 1.788 0 40 DDAB NC(=O)N1CCCN(CC(=O)N(C2CCCC2)C2CC2)CC1 75684438 YJWJPSSSVADWAT-UHFFFAOYSA-N 308.426 1.006 0 40 DDAB C[C@@H](NC(=O)c1c(C(=O)O)cnn1C)c1ccc2c(c1)OCO2 36615523 CCXQGTPOWGXSJT-MRVPVSSYSA-N 317.301 1.338 0 40 DDAB NCC(=O)N1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 79391054 HFDZGYCUFSJDGY-KRWDZBQOSA-N 301.434 1.991 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)C(C)C 32931189 ZFAVOSZLKDRIPZ-CZUORRHYSA-N 305.422 1.788 0 40 DDAB Cc1nccc(N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 72385857 XPKFOARSFOHFCF-NSHDSACASA-N 321.406 1.296 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)Nc1cccnc1Cl 75490344 LUXKOPUNNVRUDP-UHFFFAOYSA-N 324.690 1.877 0 40 DDAB CCCS(=O)(=O)CC(=O)NCCc1nc2ccccc2n1C 79310238 HWJUCAODOQKIET-UHFFFAOYSA-N 323.418 1.057 0 40 DDAB O=C(C1CCOCC1)N1CCC(c2n[nH]c3nccnc23)CC1 72393789 DIHKOAUKDWHVRQ-UHFFFAOYSA-N 315.377 1.486 0 40 DDAB CCOc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 78788812 NMBXYGXSFQFURK-CABCVRRESA-N 319.405 1.152 0 40 DDAB O=C(NC[C@@]1(OCCO)CCOC1)Nc1ccccc1Cl 664330370 PIUQIFFPOFIHID-AWEZNQCLSA-N 314.769 1.630 0 40 DDAB COCCC(=O)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 72389879 HABGQCQYNWPXOX-NSHDSACASA-N 302.334 1.484 0 40 DDAB CN(C(=O)c1ncccc1C(F)(F)F)C1(C(N)=O)CCCC1 188039389 JLTVDJPNCWMYRV-UHFFFAOYSA-N 315.295 1.971 0 40 DDAB CNc1cccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72364535 SCQCKQKALVJFGY-GFCCVEGCSA-N 321.406 1.383 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 73119431 PKGISVDOFPCDEQ-SNVBAGLBSA-N 322.434 1.795 0 40 DDAB COc1ccc(Cc2nnc(S[C@H](C)C(=O)O)[nH]2)cc1OC 224974456 DCGOTNFCYWSYKY-MRVPVSSYSA-N 323.374 1.978 0 40 DDAB CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nn(C)c1=O 225964198 PUNCASHITCUCJT-UHFFFAOYSA-N 318.329 1.641 0 40 DDAB CC(C)Cc1nsc(N2CCC[C@@H]2c2nc(C(N)=O)no2)n1 195571417 BHPZNPZZMDHDQS-MRVPVSSYSA-N 322.394 1.560 0 40 DDAB Cc1cncn1CC(=O)N1CC[C@H](Nc2ncccn2)C[C@H]1C 1064809330 ICWPDTYIMOKIEA-OCCSQVGLSA-N 314.393 1.473 0 40 DDAB O=C(N1CCn2cnc(C(F)(F)F)c2C1)[C@]12CC[C@H]1CNC2 1580587816 PAAQSOVESWIEOC-ZANVPECISA-N 314.311 1.244 0 40 DDAB COc1ccc([C@@H](C)NC(=O)c2ccc(=O)[nH]c2)cc1OC 45383301 AZIJSFMFVZVKCC-SNVBAGLBSA-N 302.330 1.883 0 40 DDAB COc1ccc(NC(=O)C(=O)NCC2(N(C)C)CCCC2)cn1 40287488 ATZJLSVGBXBGTG-UHFFFAOYSA-N 320.393 1.019 0 40 DDAB O=C(O)c1coc(N2CCC[C@@H](c3nncn3C3CC3)C2)n1 571804041 FGFCOAJEIZKPRU-SECBINFHSA-N 303.322 1.683 0 40 DDAB CCNC(=O)NC[C@H]1COCc2nc3ccc(OC)cc3n21 96112588 KOFHLLMYYIFRRM-JTQLQIEISA-N 304.350 1.435 0 40 DDAB biogenic,in-vitro CC(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CC12CCOCC2 96052107 GTSOKOASWJJHKZ-INIZCTEOSA-N 317.433 1.835 0 40 DDAB O=C(c1ccco1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96050838 KWPWDTNKYOVRMY-MRXNPFEDSA-N 312.329 1.339 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(c2ccncc2)CC1 96473721 JQAYECQSDBPQJC-CYBMUJFWSA-N 312.377 1.021 0 40 DDAB O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 96064864 ZABNLQLGFHXLPW-NVXWUHKLSA-N 304.390 1.929 0 40 DDAB CN1CC[C@@H]2OC[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]2C1 96066030 YJUTZWRNTNWLHS-FMKPAKJESA-N 303.406 1.397 0 40 DDAB CC[C@](Br)([C@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521490 NLMLSJXPDDBTOS-GHMZBOCLSA-N 322.224 1.848 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)N2CCCC2)N1c1cccnc1 96055723 GQDREZVXYJNZRL-UONOGXRCSA-N 300.362 1.477 0 40 DDAB Cc1cccc(C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)n1 96053759 QJUXOOCXDQTZQK-IAGOWNOFSA-N 322.412 1.989 0 40 DDAB O=C1NC2(CCN(c3ncccn3)CC2)C[C@@H]1c1ccncc1 96199545 CSEFMFZDFLHJPX-CQSZACIVSA-N 309.373 1.514 0 40 DDAB NCCCNS(=O)(=O)c1c(F)cccc1Br 97229285 CJKVPJNOYKHZMV-UHFFFAOYSA-N 311.176 1.215 0 40 DDAB NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 96444797 RLGLTEHEHIDBBB-WDEREUQCSA-N 316.748 1.515 0 40 DDAB O=C(C1CCOCC1)N1CCOC[C@H](Oc2ccccc2)C1 96113186 XQMJVFFILFYGQM-MRXNPFEDSA-N 305.374 1.719 0 40 DDAB biogenic,in-vitro O=C(c1ccccn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053822 JGZZJVKQDZAHLL-GASCZTMLSA-N 308.385 1.681 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 96182288 YZKOFWKAHGIPGR-OKILXGFUSA-N 314.414 1.742 0 40 DDAB CCCn1ccc(C(=O)N2CCO[C@H](c3cnccn3)C2)n1 257226579 FLGIFHGNXVSMAZ-AWEZNQCLSA-N 301.350 1.297 0 40 DDAB O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CNCCO1 257198241 WYBFVLBORQSDFQ-SNVBAGLBSA-N 314.267 1.509 0 40 DDAB CCOc1ncccc1C(=O)N1CCOC[C@@H]1c1[nH]ncc1C 257226981 FNBPNHYBXPXAKL-CYBMUJFWSA-N 316.361 1.726 0 40 DDAB COCCN1CC[C@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 257342397 ZOJSEUWHRXBXMN-CQSZACIVSA-N 315.421 1.994 0 40 DDAB CO[C@H]1CCCOC12CCN(CC(=O)N1CCCCC1)CC2 257205028 AXINWFBCWQQXBR-HNNXBMFYSA-N 310.438 1.659 0 40 DDAB COCC(=O)N1CCC(Cc2cccc(-c3cc[nH]n3)n2)CC1 257323840 WMAPLHJPHHRJDM-UHFFFAOYSA-N 314.389 1.899 0 40 DDAB CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)NC2CCCC2)C1 257200765 AEUMRHOOBCJZHY-ZDUSSCGKSA-N 316.405 1.560 0 40 DDAB Cc1cccc(N2CCC[C@H](NS(=O)(=O)c3cn[nH]c3)C2)n1 257333029 XZUBJQIHZFMILK-LBPRGKRZSA-N 321.406 1.060 0 40 DDAB Cc1cccc(OC[C@@H](O)CN2CC[C@H](c3nccn3C)C2)c1 540464010 LKVVTESQLBJRLA-HOTGVXAUSA-N 315.417 1.958 0 40 DDAB CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 264765270 NIHZOLWKUCPKJL-OLZOCXBDSA-N 302.382 1.462 0 40 DDAB CO[C@H](CNC(=O)C(=O)Nc1cc(C)on1)c1cccc(F)c1 96388632 PRQNYVDGARSFDY-GFCCVEGCSA-N 321.308 1.565 0 40 DDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 53834827 SUHBHBTVUJQHCD-IAQYHMDHSA-N 306.362 1.198 0 40 DDAB Cc1cnn(C2CN(CC(=O)Nc3cc(C(C)C)no3)C2)c1 71876781 IFECAOFRJOKPSS-UHFFFAOYSA-N 303.366 1.798 0 40 DDAB Cn1nc(CNC(=O)c2cc(C3CC3)on2)c2c1CCOC2 96104017 UXEXWIVCZBZPHD-UHFFFAOYSA-N 302.334 1.288 0 40 DDAB Cc1ncsc1C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 96419148 KPRZIKIATZFMNT-VHSXEESVSA-N 302.421 1.537 0 40 DDAB C[C@@H](NCCN1CCCS1(=O)=O)c1ccc(F)cc1F 89520093 NJLDAVDXIFHQGN-SNVBAGLBSA-N 304.362 1.651 0 40 DDAB C[C@H](CN1CCC(C2(C)OCCO2)CC1)CS(C)(=O)=O 95966283 KHUSXIBYZONCNZ-GFCCVEGCSA-N 305.440 1.142 0 40 DDAB O=C1NCCN1C(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575605588 LFKXVWVNFGWGGL-VIFPVBQESA-N 310.741 1.333 0 40 DDAB CCNC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888860474 MBSOSGZLBKVHSO-BETUJISGSA-N 315.421 1.371 0 40 DDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 37975424 LADVHJINYJCCOP-SNVBAGLBSA-N 302.371 1.361 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100026838 WRNZHKUBWSDTRF-JQOWZUPLSA-N 322.364 1.693 0 40 DDAB Cc1cc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)nc(C)n1 2086861340 FOPDUFPVQPWYTN-CYBMUJFWSA-N 305.426 1.129 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)Cc1cccc(OC)c1 225631718 GBSSZGLEPYKLBF-UONOGXRCSA-N 307.346 1.027 0 40 DDAB CCn1cc(S(=O)(=O)NC[C@@H]2COc3ccccc32)nc1C 342010631 UVXRIHWHHDDJBV-GFCCVEGCSA-N 321.402 1.666 0 40 DDAB C[C@H]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1 197315 CWGSQWYGNMBLSA-QMMMGPOBSA-N 318.402 1.958 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 30343199 FDDNQTJIBBSORC-ZUZCIYMTSA-N 307.350 1.207 0 40 DDAB NC(=O)C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 40459257 URRRVUQTQIPYHS-ZDUSSCGKSA-N 312.797 1.277 0 40 DDAB NC(=O)CN1CCC(NC(=O)c2csc3c2CCCC3)CC1 40481241 ZJSAACRRLZVRLG-UHFFFAOYSA-N 321.446 1.306 0 40 DDAB CCOc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OC 40486213 HJZJIVWLUHMIQJ-UHFFFAOYSA-N 316.361 1.562 0 40 DDAB Cc1nc(C)c(CCC(=O)N2CCc3sccc3C2)c(=O)[nH]1 10924495 OWFSQBKUAUPVPR-UHFFFAOYSA-N 317.414 1.966 0 40 DDAB CC(=O)[C@H]1[C@@H](c2cccc(C)c2)NC(=O)N[C@@]1(O)C(F)(F)F 79378 UCQANRNMCGXMLU-LOWVWBTDSA-N 316.279 1.805 0 40 DDAB O[C@]1(CNC2CCN(Cc3cccc(F)c3)CC2)CCOC1 90849638 RDSWDACEFDQYNW-KRWDZBQOSA-N 308.397 1.531 0 40 DDAB COc1cccc(C(=O)Nc2nc3[nH]c(C)c(C)c(=O)n3n2)c1 100650690 SCROLCQFFNZWRY-UHFFFAOYSA-N 313.317 1.295 0 40 DDAB O=C1C[C@@H](N(C(=O)Cc2ccc(Cl)cc2)C2CC2)C(=O)N1 100712337 GCVMEACZVYJHAH-GFCCVEGCSA-N 306.749 1.289 0 40 DDAB CC(C)C[C@H](NC(=O)Cc1noc2ccccc12)C(=O)N(C)C 40536323 RYUKQGYKMAUCCU-AWEZNQCLSA-N 317.389 1.989 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CN1CCc2ccccc21 51183479 OBWMRQUVRFLKGA-OCCSQVGLSA-N 301.390 1.162 0 40 DDAB O[C@@H](CN1CCC([C@@H](O)c2ccccc2)CC1)Cn1cccn1 51531926 CGCPYOPJRUHITB-ROUUACIJSA-N 315.417 1.690 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 6356010 DOVVHDDZGQAMJF-NSHDSACASA-N 315.391 1.624 0 40 DDAB CC(C)[C@H](Sc1ncnc2ccccc12)C(=O)NC(N)=O 6786457 MEJUPOFGZHVXOO-NSHDSACASA-N 304.375 1.941 0 40 DDAB CC[C@H]1CN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)CCO1 75127317 LWOMNJOTWQXISW-LSDHHAIUSA-N 306.410 1.194 0 40 DDAB Cc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)c(=O)[nH]1 75120167 CDFRVQLIOADDGZ-UHFFFAOYSA-N 316.313 1.221 0 40 DDAB Cc1nn(C)c(C)c1CNc1c(NCc2ccco2)c(=O)c1=O 101699550 NRGRKDSDUDIWJG-UHFFFAOYSA-N 314.345 1.450 0 40 DDAB CN1N[C@@H](c2cccnc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 101130245 NHKATZPGLBLILP-ILXRZTDVSA-N 314.389 1.259 0 40 DDAB Cc1nccn1CCNC(=O)[C@H]1CCCN(c2ncccn2)C1 52191567 REHCTURFUBLFEU-AWEZNQCLSA-N 314.393 1.014 0 40 DDAB Cc1cc(C)nc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 8234594 ZLGFKPSZGLRWBV-GFCCVEGCSA-N 302.378 1.823 0 40 DDAB NC(=O)Cc1csc(NC(=O)CCc2ccccc2F)n1 21496018 WMZMXLAVSVTPBD-UHFFFAOYSA-N 307.350 1.881 0 40 DDAB CNS(=O)(=O)c1ccc(F)c(C(=O)OC[C@@H]2CCCO2)c1 32860231 UEIZSHUZAXYXGH-VIFPVBQESA-N 317.338 1.070 0 40 DDAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)occ1O 21948375 PAKMYFUIFCEVON-UHFFFAOYSA-N 300.358 1.663 0 40 DDAB O=C(NCCNc1ncccn1)NC[C@@H]1Cc2ccccc2O1 46875956 VRECYIASQREAGQ-ZDUSSCGKSA-N 313.361 1.191 0 40 DDAB COCCNC(=O)CNC[C@@H](c1ccco1)N1CCCCC1 22039565 QYFQWTWJZQXHSY-AWEZNQCLSA-N 309.410 1.159 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](CC4=O)[C@H]3C2=O)cc1C 100825632 YIJQTZZRXLLESI-HMEQZMJYSA-N 311.337 1.587 0 40 DDAB O=C1NC(=O)c2ccccc2/C1=C/c1cnc(N2CCCC2)nc1 103438248 WYLWWFBUJDWTLQ-DHDCSXOGSA-N 320.352 1.887 0 40 DDAB O=C1C[C@H](C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CCN1 89828149 XAYVQWFFNPQUCT-QAPCUYQASA-N 323.396 1.946 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101054751 PGPWXNDTKMGRJR-YXAMBPQSSA-N 310.353 1.741 0 40 DDAB Cc1csc(=O)n1CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C 103915674 HSUPPYQEQNBTNB-ONGXEEELSA-N 311.407 1.623 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(OCC(N)=O)c1 22883129 SMLCOQPYUIWEEU-UHFFFAOYSA-N 316.361 1.082 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCC[C@@H](c3cc[nH]n3)C2)C1=O 89914359 IAGFEQPXNNQIPG-GFCCVEGCSA-N 319.409 1.310 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C 42718696 FCJJRUNOBKTSKV-ABAIWWIYSA-N 306.362 1.152 0 40 DDAB C[C@H]1CN([C@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)C[C@@H](C)O1 105650679 JCHONXYSGWIYGZ-UTUOFQBUSA-N 306.410 1.515 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1nncn1C 43165135 IHSGOYYCGFTSSU-ZYHUDNBSSA-N 301.350 1.699 0 40 DDAB COc1ccc([C@@H](C)NC(=O)NCCn2ccnc2)cc1OC 43310443 PFMLKQWWAOTDAR-GFCCVEGCSA-N 318.377 1.961 0 40 DDAB O=C(c1cnc(C2CC2)s1)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606450 BAAIPNRSZHQVEU-STQMWFEESA-N 321.446 1.692 0 40 DDAB Cc1nc(CCNS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cs1 44327596 QZRGBPYSFXZAKI-QWRGUYRKSA-N 317.480 1.806 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H]2c2noc(C)n2)n1 76043636 YRKGPXUWJSVNIC-ZDUSSCGKSA-N 303.366 1.945 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccc(Cl)c1 76020439 BWEXMTVNVGMRCU-GXFFZTMASA-N 310.781 1.946 0 40 DDAB CC(C)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 23114160 RVHQTLMUFCUXRC-NEPJUHHUSA-N 318.373 1.929 0 40 DDAB COC(=O)c1ccc(CCNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 27366698 XUBPOXBWTAAFRK-STQMWFEESA-N 320.389 1.835 0 40 DDAB CCOC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 409110084 QZNJFQPKCXSSGH-UHFFFAOYSA-N 315.391 1.705 0 40 DDAB CC(C)(NS(C)(=O)=O)c1nc(-c2ccc(F)c(F)c2)no1 81533521 BWYOLOBCVDLVBQ-UHFFFAOYSA-N 317.317 1.799 0 40 DDAB O=C1CC[C@H](NC(=O)COc2ccc(Cl)c(Cl)c2)CN1 58167751 KLYMEWRLMNSPCE-QMMMGPOBSA-N 317.172 1.767 0 40 DDAB Cn1cc(/C=C/C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 44888978 GEILKRJXRAVBNI-OZSKJFCKSA-N 310.401 1.824 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Cl)cc1 12877282 HQIDPOXMZFFTEX-UHFFFAOYSA-N 321.808 1.833 0 40 DDAB Cn1cc(Br)cc(NC(=O)c2cscn2)c1=O 81656489 QVZOVRBOFUWPMQ-UHFFFAOYSA-N 314.164 1.857 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 3452333 TYOZVDVBENUBDL-UHFFFAOYSA-N 322.361 1.332 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(O)c1 3494786 FHTNROTTYQNRSF-VXGBXAGGSA-N 307.346 1.493 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCCn2cccn2)CC1 70016721 ZAPLIAHSORDWSB-HNNXBMFYSA-N 322.453 1.215 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)C[C@@H]2CCCO2)CC1 70015923 HMVPPXFKKHCXIA-AWEZNQCLSA-N 306.410 1.024 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 49396279 HNRNRYLNESHRCZ-ZDUSSCGKSA-N 304.390 1.706 0 40 DDAB CCN(Cc1ccccc1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 5012176 MKJAKCPIHYIIEE-CYBMUJFWSA-N 317.432 1.025 0 40 DDAB COc1ccc(CC(=O)N(C)Cc2nnc3ccccn23)cc1 69488449 AYLBAENPTDDFDP-UHFFFAOYSA-N 310.357 1.939 0 40 DDAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)NC(C)(C)C1=O 4309228 FXVBFBVWYSSRJC-UHFFFAOYSA-N 309.753 1.917 0 40 DDAB Cc1ccccc1[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 69537290 GSDVMXIASISHLA-ZDUSSCGKSA-N 310.419 1.250 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)NCc1cc[nH]n1 65393939 BWEJIIMNZQMSBW-UHFFFAOYSA-N 300.366 1.404 0 40 DDAB CO[C@H](C(=O)N[C@@H](C)C(=O)NC1CCCC1)c1ccccc1 69588321 MJHIWYLGHZFSOQ-WFASDCNBSA-N 304.390 1.938 0 40 DDAB Cc1cc(N2CCC(N(C)C(=O)NC3CC3)CC2)nc(C)n1 69588308 AOJTUGDUZQUYHM-UHFFFAOYSA-N 303.410 1.866 0 40 DDAB Cc1nnc2ccc(N3CCN(Cc4ccccc4)CC3)nn12 65553624 FJPYTCNTKZNDQC-UHFFFAOYSA-N 308.389 1.755 0 40 DDAB Cn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 8583104 FRNBAHGZXHWVRN-UHFFFAOYSA-N 312.352 1.829 0 40 DDAB NC(=O)Cc1csc(NC(=O)CCC(=O)c2cccs2)n1 8752174 NRGTWGHKGSBCDD-UHFFFAOYSA-N 323.399 1.834 0 40 DDAB C[C@@H](COc1ccccc1F)NS(=O)(=O)N1CCCC1 69627375 WXLBVOWANJLTMA-NSHDSACASA-N 302.371 1.523 0 40 DDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 69619257 ZGRMAIAVINNYCY-CYBMUJFWSA-N 324.812 1.222 0 40 DDAB O=C(COC(=O)c1ccc(Cl)nc1)NC(=O)c1ccccc1 6635035 NGDXMKXLOJYVBW-UHFFFAOYSA-N 318.716 1.848 0 40 DDAB Nc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1 6607115 PEDOTANVUPDTFL-UHFFFAOYSA-N 301.734 1.910 0 40 DDAB CC1(C)COCCN1S(=O)(=O)c1cc(F)c(F)cc1F 69770609 TYEUSSWVKFZELW-UHFFFAOYSA-N 309.309 1.903 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 5817130 VDPZDRBXCKEVJM-KBPBESRZSA-N 304.346 1.330 0 40 DDAB COc1ccccc1[C@H]1C[C@H]1NC(=O)C(=O)Nc1nccs1 69846724 LTOADZOHDCMXBO-GHMZBOCLSA-N 317.370 1.763 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)n1 69968233 QQOZJCSKVOLZKH-GFCCVEGCSA-N 305.407 1.961 0 40 DDAB CCN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 409101803 WPLHPMAMDZYPOA-XYOKQWHBSA-N 317.370 1.933 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)NCCc1ccccc1 9690888 XWDWROOLPGPWOO-UHFFFAOYSA-N 314.389 1.130 0 40 DDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NC(C)(C)C 9647265 YZAQWMDHSAPRMS-SECBINFHSA-N 317.345 1.383 0 40 DDAB CCCOC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1N 71922119 KWWRNEQYIKFTAT-VIFPVBQESA-N 310.379 1.994 0 40 DDAB CCCn1c(S[C@H](C)C(=O)NCc2ccccc2)n[nH]c1=O 9739989 SASPLSWETNLZTG-LLVKDONJSA-N 320.418 1.778 0 40 DDAB NC(=O)[C@H](NC(=O)Cn1ccc2ccccc21)c1ccccc1 71819810 SLUWLPNMIQCFFC-QGZVFWFLSA-N 307.353 1.984 0 40 DDAB C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O 71897382 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C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1 88059571 YXRANDHKVRJEIY-VIFPVBQESA-N 308.325 1.688 0 40 DDAB Cn1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1=O 74019928 MLYKCSRPYHZNLR-UHFFFAOYSA-N 309.329 1.277 0 40 DDAB CC(C)N(C)S(=O)(=O)NC[C@H](c1cccs1)N(C)C 95949363 AEBDHMYYJXHNAX-LLVKDONJSA-N 305.469 1.525 0 40 DDAB Cc1cc(CC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)n[nH]1 95992173 PKCXDHMDXSHHOP-WMEQCIOUSA-N 307.394 1.699 0 40 DDAB CCCCc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 9909343 LQTKQILPORCPAX-UHFFFAOYSA-N 304.346 1.738 0 40 DDAB O=C(NCCc1nc(C2CCCCC2)cs1)c1n[nH]c(=O)[nH]1 75093089 PGJHBAJEKOPNAS-UHFFFAOYSA-N 321.406 1.575 0 40 DDAB NC1(CO)CCN(c2nccc(OCc3ccccc3)n2)CC1 89599552 XBINTHSVZBVYLA-UHFFFAOYSA-N 314.389 1.346 0 40 DDAB O=C(CN1CCCC1=O)NCc1ccccc1C(F)(F)F 75876660 YWESWDJAPRVZMK-UHFFFAOYSA-N 300.280 1.944 0 40 DDAB C[C@H]1COC[C@H]1NC(=O)N1CCC(CN)(c2ccccc2)CC1 1553524921 CSLJGSFWNUYNBJ-GOEBONIOSA-N 317.433 1.723 0 40 DDAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@H]2[C@@H]1[C@H]2C(F)(F)F 39947705 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O=C(O)c1nn(-c2ccc(Br)cn2)nc1Cl 89263481 HLZYKCVLPVCOSE-UHFFFAOYSA-N 303.503 1.776 0 40 DDAB CN(C)[C@@H]1CCN(CC2CCOCC2)[C@H]1Cc1cnn(C)c1 96061720 ZWRSFWWRNDTHDU-SJORKVTESA-N 306.454 1.394 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@H]2[C@H]1CCN2CC1CC1 96184407 HMCLCINFHQQVJT-QWHCGFSZSA-N 312.460 1.995 0 40 DDAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)CC)ccc2NC1=O 96182268 RFCXUWJZGPCCCQ-HNNXBMFYSA-N 306.318 1.688 0 40 DDAB COCCN1CCOC[C@]2(CCCN(Cc3ccco3)C2)C1 96049453 LOFVRMXGKXOCTC-QGZVFWFLSA-N 308.422 1.840 0 40 DDAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 96486418 GVVNUXXDSIPYGM-JHJVBQTASA-N 322.453 1.746 0 40 DDAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCOCC2)C1 96193085 YNAPGZPLJCNRBI-INIZCTEOSA-N 304.346 1.437 0 40 DDAB O[C@@H](CNc1ccnc2c(F)ccc(F)c12)CN1CCOCC1 96482671 DQKSFXQZVIBDOZ-NSHDSACASA-N 323.343 1.618 0 40 DDAB CN(C)C(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 96062419 PQHKNOLJUFDZBY-MRXNPFEDSA-N 323.462 1.954 0 40 DDAB NC(=O)NC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1 96408699 RWSVBVGBZLULKG-UHFFFAOYSA-N 309.797 1.789 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1cc(=O)n(C)c2ccccc12 95480773 FUSAIJUGCOKYMA-ZDUSSCGKSA-N 313.401 1.753 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)CCNS(C)(=O)=O)C12CCCC2 96419697 COLJQGOGPIYXRP-CHWSQXEVSA-N 304.456 1.205 0 40 DDAB O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 97063684 WYRGVPHLPUBNBS-SCZZXKLOSA-N 303.767 1.872 0 40 DDAB COC[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 96420862 ZBLCRKVADMRZGK-SJORKVTESA-N 318.417 1.382 0 40 DDAB CCCS(=O)(=O)N1CC[C@H]2O[C@H](c3nnc(C)o3)CC[C@H]21 96040920 HBBRBQNGDRQPMD-UTUOFQBUSA-N 315.395 1.412 0 40 DDAB O=C(c1cccnc1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96239162 BANIJLYKIRAMLW-GOSISDBHSA-N 322.368 1.746 0 40 DDAB C[C@H](C[S@@](C)=O)NC(=O)NCCc1cccc2cccnc12 96502110 SSPRREKZFGZNIX-IPQOISQHSA-N 319.430 1.844 0 40 DDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)C(C)(C)C 96473495 WROYXECPICXONL-QWRGUYRKSA-N 309.414 1.993 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@](O)(CN2CCCC2)C1 257315774 VCSHSEPWAWUTLG-QGZVFWFLSA-N 320.437 1.018 0 40 DDAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)CN)C2)n1 257334324 YFKNNJGUNTZSMI-CYBMUJFWSA-N 314.389 1.703 0 40 DDAB Cc1ccc([C@H]2[C@@H](C)CCCN2CC(=O)NCC(=O)O)cc1 252533002 FRIKNGAIQQWXJL-SUMWQHHRSA-N 304.390 1.969 0 40 DDAB COc1ncccc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257219257 DGEIYHFVBVEILW-MGPQQGTHSA-N 316.361 1.171 0 40 DDAB Cc1c(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cnn1C 257257467 KPRFBMNTJPBTBH-HZPDHXFCSA-N 305.353 1.492 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c1C 40465557 WKXVCKYVQHWMIU-CYBMUJFWSA-N 320.389 1.682 0 40 DDAB C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)C1 260767400 NPTGFTORAVIEFC-ZFWWWQNUSA-N 324.446 1.878 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)COC1CCNCC1 261757295 PLGDZTYPXXPFIP-AWEZNQCLSA-N 320.389 1.053 0 40 DDAB NS(=O)(=O)c1ccc(N/C=C2\SC(=O)NC2=S)cc1 618254703 GYGJFBKQPNTWBH-YVMONPNESA-N 315.401 1.371 0 40 DDAB COCc1nnc2n1CCN(Cc1cnn(C(C)C)c1)[C@H](C)C2 585097554 LQUZJKBZKKMWHS-CYBMUJFWSA-N 318.425 1.649 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccc(F)cc1 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517571001 KHVJLRCCZJOGML-WBVHZDCISA-N 316.401 1.404 0 40 DDAB COCCc1nsc(N(C)C2CN(c3ccccn3)C2)n1 1889093055 QIZUUWOOGLAWMH-UHFFFAOYSA-N 305.407 1.447 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC(C1CC1)C1CC1 30800519 ZNQYRXMKKCLETD-OKILXGFUSA-N 318.417 1.857 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCNCC2)cc1Cl 19680061 XBCGYLAZVMLCMH-UHFFFAOYSA-N 304.799 1.333 0 40 DDAB Cc1noc(C)c1CN1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037980593 ABAPUVUHIRGNIN-KRWDZBQOSA-N 321.421 1.751 0 40 DDAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(CC(=O)NC(C)(C)C)C1 2087059440 QIOBBRDXIOCXPS-ZDUSSCGKSA-N 311.470 1.870 0 40 DDAB OC1(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CCC1 2087120164 PVMGBOMVNFMGRT-UHFFFAOYSA-N 316.327 1.532 0 40 DDAB CCOC(=O)[C@H](CC)Sc1nnc2[nH]c(=O)c(C)c(C)n12 4250442 CFFRSBYJCQNSRM-VIFPVBQESA-N 310.379 1.468 0 40 DDAB COCC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 13695643 BFSLTWXCNHYUHC-AWEZNQCLSA-N 304.346 1.340 0 40 DDAB CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@@H]2C1=O 2055773038 NRVNPXKCKNZLPN-KGLIPLIRSA-N 311.385 1.729 0 40 DDAB O=C(/C=C/c1ccco1)NCc1nc(C2CCOCC2)no1 575616991 LZPIXOPSEYYHCZ-ONEGZZNKSA-N 303.318 1.886 0 40 DDAB O=S(=O)(NCCn1cc(-c2ccco2)cn1)N1CCCC1 575615370 OETROMVPNBOVFJ-UHFFFAOYSA-N 310.379 1.073 0 40 DDAB CC1(C)NC(=O)N(CCN2CCCc3cccc(F)c32)C1=O 40071632 XKJKGDAIRCLEJD-UHFFFAOYSA-N 305.353 1.909 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 30677433 CTLBRCLMLKBINR-SNVBAGLBSA-N 319.386 1.715 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1ccc2c(c1)OCCO2 40487990 DXMZQPHLZVVFLO-UHFFFAOYSA-N 314.407 1.177 0 40 DDAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ncnc2[nH]cnc12 11135912 GSJSOSWRVKQWEY-VIFPVBQESA-N 311.301 1.537 0 40 DDAB CC(C)C[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 1570243 FVNPLMZSNACTDL-UKRRQHHQSA-N 316.405 1.054 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4197527 JJPNGTUFVCGBKM-RGOKHQFPSA-N 323.326 1.127 0 40 DDAB O=C(NC1=NCCS1)[C@H]1CCCN(C(=O)c2ccco2)C1 36724911 AOTIJUXMOOFYQE-JTQLQIEISA-N 307.375 1.351 0 40 DDAB Cc1ccccc1-n1nnc(C(=O)NC[C@H]2CCCO2)c1N 4984942 WDTWSFINRZEGNC-LLVKDONJSA-N 301.350 1.067 0 40 DDAB CC1(C)CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCO1 68881541 ODKJGRNYXCGWLK-UHFFFAOYSA-N 305.382 1.490 0 40 DDAB CS(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 29463005 ROWRPWXSLJXYRV-UHFFFAOYSA-N 323.340 1.572 0 40 DDAB COCC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)O 52784844 GXSBEJGIXJPYBY-VIFPVBQESA-N 315.709 1.288 0 40 DDAB O=C1c2ccccc2OC23Oc4ccccc4C(=O)N2CCN13 715557 BWXFDQPSCXSWAH-UHFFFAOYSA-N 308.293 1.681 0 40 DDAB Cc1cc(CN2CCN(Cc3nnc(C(C)(C)C)o3)CC2)on1 46838043 IOHMNGPTVXUGIJ-UHFFFAOYSA-N 319.409 1.981 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccco2)CC1 47028715 RKTVOCANMRPRIQ-CQSZACIVSA-N 317.393 1.392 0 40 DDAB CCc1ccccc1-n1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 12374098 DOASZXGPMFOTEF-UHFFFAOYSA-N 323.356 1.536 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc(Br)c[nH]2)CC1 37497983 FJTKCVJKJPRHGM-UHFFFAOYSA-N 314.183 1.375 0 40 DDAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(OC)c(OC)c1 42647408 SUQPUGQPEVZNHS-LBPRGKRZSA-N 307.346 1.872 0 40 DDAB C[C@H](C(N)=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 8153245 SAQFDXGDKKTFOA-SECBINFHSA-N 302.300 1.096 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 47699241 KIDYSIKSSUKPDC-AWEZNQCLSA-N 310.419 1.029 0 40 DDAB CCOc1ccc(Br)cc1CNCCNCCO 22075949 UMYDSWICDFCWHS-UHFFFAOYSA-N 317.227 1.519 0 40 DDAB Cc1nc(C)n(C[C@H]2CN([C@H](C)c3cccnc3)CCO2)n1 106908183 QYHGLTUSDFTXIP-MLGOLLRUSA-N 301.394 1.752 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)s1 25495093 MIYOMBOQFSTBMH-ZDUSSCGKSA-N 310.400 1.667 0 40 DDAB COc1ccc(-n2ncc(N3CCOCC3)c(Cl)c2=O)cc1 3104673 LEPCEUYCIRTICD-UHFFFAOYSA-N 321.764 1.731 0 40 DDAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)N1CCC1 57738993 WBPPTWWNPPTAFI-UHFFFAOYSA-N 303.383 1.987 0 40 DDAB O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(F)c(F)c1F 44502230 CXPQHNATODIZKF-MRVPVSSYSA-N 308.325 1.382 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)c1 8497031 OQYMQGVYKHEKEX-ZDUSSCGKSA-N 304.390 1.795 0 40 DDAB COc1ccc(-c2nnc(CN3CCN(C(C)=O)CC3)o2)cc1 27342257 UARYRIHJBKKKHW-UHFFFAOYSA-N 316.361 1.409 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 58162131 VQPNPTVDTLOBSY-IUODEOHRSA-N 316.357 1.556 0 40 DDAB C[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCO1 44893020 PMUSAAMPFPYHCE-NSHDSACASA-N 303.811 1.834 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nnnn1-c1ccc(C)cc1 3256085 JCXBRWDQGFQRQW-LLVKDONJSA-N 305.407 1.978 0 40 DDAB CC(=O)OCC(=O)Nc1ccc(I)cc1 3265330 MGVJAEFONJKUGT-UHFFFAOYSA-N 319.098 1.793 0 40 DDAB O=C(NCCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCCO1 44945606 URSQPYCHDQDOBK-INIZCTEOSA-N 314.389 1.893 0 40 DDAB O=C(O)/C=C/CC(=O)Nc1cccc(CN2CCOC2=O)c1 44980425 SHYJZEDZOVTWQZ-QHHAFSJGSA-N 304.302 1.608 0 40 DDAB COCCN1C[C@@H](C(=O)N(C)Cc2sccc2C)CC1=O 45318785 VWCJOHHBVPVJCV-LBPRGKRZSA-N 310.419 1.510 0 40 DDAB Cn1ncc2c(N3CCN(C(=O)CC(C)(C)C)CC3)ncnc21 12779877 CIWHSUGSRZAEBT-UHFFFAOYSA-N 316.409 1.448 0 40 DDAB COCCOCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 48301602 MPMUCZAUVZJALW-CHWSQXEVSA-N 323.393 1.297 0 40 DDAB Cn1nnc2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)ccc21 70039861 MDXAXLUIZZNNMC-CYBMUJFWSA-N 310.361 1.470 0 40 DDAB O=C(NC1CCCCC1)N[C@@H]1CCCc2c1cnn2CCO 69385100 LKWMFPOBXJJMGE-CQSZACIVSA-N 306.410 1.885 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)c1cnccn1 12945334 OBUGJCYSSWGRJJ-UHFFFAOYSA-N 303.318 1.432 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)cc1 4017964 FWXIGLJCOHTRAR-CYBMUJFWSA-N 306.318 1.210 0 40 DDAB COc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409381643 IDIOINGPZHNUIN-NFFDBFGFSA-N 303.314 1.678 0 40 DDAB COc1ccccc1N1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O 39918173 ASGXFNMOOYQPFX-STQMWFEESA-N 318.373 1.343 0 40 DDAB COc1ccc(C)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 5237887 RIWZZLRCTGATBX-UHFFFAOYSA-N 320.374 1.400 0 40 DDAB COc1ccc2c(c1)CCN2S(=O)(=O)c1c[nH]c(C(=O)O)c1 65552703 QNUGSMGPHOFTCC-UHFFFAOYSA-N 322.342 1.473 0 40 DDAB COC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(OC)cc2)C1 65591718 YQURLWGOKMUMNT-CQSZACIVSA-N 320.389 1.832 0 40 DDAB O[C@@H](COCc1ccco1)CSc1nnc2ccccn12 14200899 BZLIOGZEBRILAZ-NSHDSACASA-N 305.359 1.992 0 40 DDAB COc1cc([C@H]2NCCC(=O)N2)cc(Br)c1O 408737265 MWMTUUQVGGQRDM-NSHDSACASA-N 301.140 1.271 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 4736593 ZDTLDGXSZVVMTH-UHFFFAOYSA-N 302.783 1.241 0 40 DDAB COc1ccc(CC(=O)N[C@@H](C)c2n[nH]c(=S)n2C)cc1 4739077 YREMYXVUUSKHFQ-VIFPVBQESA-N 306.391 1.906 0 40 DDAB COC(=O)N1CCC(NCc2cc(OC)c3c(c2)OCO3)CC1 67254773 VYFCWGAFIKBPBX-UHFFFAOYSA-N 322.361 1.744 0 40 DDAB Cc1noc(C)c1C(=O)N1CCCN(Cc2nccn2C)CC1 69951566 SNJFLTHSTXVYJN-UHFFFAOYSA-N 317.393 1.373 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(OC)cc2F)CC1 69951529 WDLDVZOOOYAOTK-LBPRGKRZSA-N 310.369 1.363 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 68229715 ZKHMQWRPNFLTLH-LLVKDONJSA-N 318.373 1.650 0 40 DDAB COCCO[C@@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 83888784 AJVRJOHDJHCDDS-JQWIXIFHSA-N 309.366 1.662 0 40 DDAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1nncs1 71285474 FIFPDKABCZCVAG-UHFFFAOYSA-N 324.749 1.556 0 40 DDAB CN(Cc1ccco1)C(=O)COC(=O)C[C@](C)(O)C(F)(F)F 71916804 IWMFEYLVYJNBNC-LBPRGKRZSA-N 323.267 1.485 0 40 DDAB OCCSc1nnnn1-c1ccc(Br)cc1 96009533 DSZZUJWQGOMBHT-UHFFFAOYSA-N 301.169 1.509 0 40 DDAB CCOc1oc(C(=O)NCC(C)(C)N2CCOCC2)nc1C 96012694 GZOVYZSAASCIHM-UHFFFAOYSA-N 311.382 1.222 0 40 DDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CCCO1 9386387 ZEXQATVNCXSIQW-BDJLRTHQSA-N 302.330 1.395 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 83609172 CSTGCIUTZWBYBQ-OAHLLOKOSA-N 322.386 1.549 0 40 DDAB C[C@@H](Sc1ncn[nH]1)C(=O)NC(=O)NCc1ccccc1 9503526 USPZADIFIFXSQM-SECBINFHSA-N 305.363 1.311 0 40 DDAB Cc1ccoc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 89701944 FJJDXPJVRMXXGB-NSHDSACASA-N 300.380 1.132 0 40 DDAB CN1CCN(c2ccc(F)cc2NC(=O)N2CCOCC2)CC1 71857140 NTMBUNRORRIDAP-UHFFFAOYSA-N 322.384 1.442 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CN(C)c1ccc(Cl)cn1 71830105 NHPQAAGANOSBNT-GHMZBOCLSA-N 324.812 1.284 0 40 DDAB O=c1[nH]c2ccccc2c2nc(Cn3cnc4ccccc43)nn12 9644478 JCAHAILBTQGRHY-UHFFFAOYSA-N 316.324 1.969 0 40 DDAB O=C1NC[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)N1 89866566 CJLXIGJKVXZFKH-HNNXBMFYSA-N 310.357 1.465 0 40 DDAB CC(C)[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCCCC1 72273710 RUQBTRQUVJVNLH-ZBFHGGJFSA-N 304.438 1.825 0 40 DDAB CCn1nc(C)c(CNC(=O)NCC[C@H](O)C(F)(F)F)c1C 72290870 GIQNKKFVUDTRMA-NSHDSACASA-N 322.331 1.632 0 40 DDAB O=C(c1cc(Br)c[nH]1)N1CCC[C@@H](n2cncn2)C1 72272354 BIUQHMRPIQDGTH-SNVBAGLBSA-N 324.182 1.846 0 40 DDAB CCC[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1nnn[nH]1 89949685 GQSFSNULOUDJEZ-ZDUSSCGKSA-N 311.349 1.657 0 40 DDAB O=C(c1ccccc1F)N1CCN(C[C@@H](O)C(F)(F)F)CC1 97141579 KQJLQWBAQLGKTI-GFCCVEGCSA-N 320.286 1.507 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN([C@@H]1CCN(C(C)C)C1=O)CC2 89986512 MVRGXWBOPFSAPL-RBSFLKMASA-N 310.438 1.248 0 40 DDAB Cn1c(C2CC2)nc2c1CCN(CC(=O)Nc1nccs1)C2 84310807 KPLCSMWSSBOBTA-UHFFFAOYSA-N 317.418 1.751 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C)nc1)CC2 89986437 FHKJAVHYNJHZLP-LSDHHAIUSA-N 304.390 1.782 0 40 DDAB C[C@H](NC(=O)[C@H]1COc2ccccc21)C(=O)N1CCCCC1 95396805 COBXRZWSHCBFNK-JSGCOSHPSA-N 302.374 1.680 0 40 DDAB C[C@@H](CNC(=O)NCCc1nnc2n1CCCCC2)C1CC1 95369570 AMIGTOJMVDTBIQ-LBPRGKRZSA-N 305.426 1.892 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)Nc1ccc(OCC(=O)O)cc1C 95425248 SZYHLZBMNUXHJM-SNVBAGLBSA-N 322.361 1.559 0 40 DDAB CC(C)[C@H](C)[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 95417862 ULFROPSOBNCEMA-BYVOGVQKSA-N 316.467 1.297 0 40 DDAB NC(=O)c1cc(Cl)nnc1N1CCCC2(CCOCC2)C1 95406110 JKKZHKPGZNDZEQ-UHFFFAOYSA-N 310.785 1.626 0 40 DDAB CCc1cccc(NC(=O)CNC2(C(N)=O)CCCCC2)c1 78659193 VKCNARXPADADIQ-UHFFFAOYSA-N 303.406 1.965 0 40 DDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(C)cccc2C)C1 95966530 PRAPAJCCECBWGH-CQSZACIVSA-N 324.446 1.847 0 40 DDAB CC(C)(C)[C@@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@H]1O 95996634 RCHMUNURRFYHBU-VXGBXAGGSA-N 321.425 1.163 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(CCOCC(F)(F)F)C2)n[nH]1 78900442 NUZIZCRCJKHIGV-SECBINFHSA-N 320.315 1.267 0 40 DDAB Cc1ccccc1CS(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 74862792 RECRHEZPDPWUPB-AWEZNQCLSA-N 324.446 1.814 0 40 DDAB CN(CC(=O)N[C@H](CN1CCCC1=O)c1ccccc1)C1CC1 89335450 TWIQZAVDOFUISV-MRXNPFEDSA-N 315.417 1.561 0 40 DDAB CCOC(=O)N1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 20238605 RSKGJAGFBGWYNR-CQSZACIVSA-N 306.362 1.675 0 40 DDAB COc1cc2c(cc1OC)[C@H]1CCN3C(=O)CC[C@H]3N1CC2 61953330 XMBORYXHUFGCCB-CJNGLKHVSA-N 302.374 1.955 0 40 DDAB Cc1ccc(C)c([C@@H](O)CN2CCN(c3ncccn3)CC2)c1 65255269 XCJMKVFYGWHXNO-KRWDZBQOSA-N 312.417 1.949 0 40 DDAB COc1ccc(-c2cc(CC3(NC(C)=O)COC3)no2)cc1 67898463 SHXPVQVICKMRPS-UHFFFAOYSA-N 302.330 1.798 0 40 DDAB biogenic,in-vitro CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc2c(c1)OCO2 408729632 CVDQGPDMRVDOOQ-CYBMUJFWSA-N 319.317 1.192 0 40 DDAB CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CCc2nncn2C1 556804586 FXOVYCGCENMPQV-LLVKDONJSA-N 316.409 1.520 0 40 DDAB CNC(=O)NC(=O)CCN1CCC(Nc2ccccc2F)CC1 72688169 LQWYQHDACULNFY-UHFFFAOYSA-N 322.384 1.548 0 40 DDAB CC(C)CNC(=O)c1c(-n2cnnn2)sc2c1CCCC2 32104676 JEDFQESMXKWJST-UHFFFAOYSA-N 305.407 1.988 0 40 DDAB O=C(NC[C@@]1(O)CCCc2occc21)c1ccc2c(c1)OCO2 1565523192 ISXBUQOLWUBLRC-KRWDZBQOSA-N 315.325 1.962 0 40 DDAB C[C@H]1CN(CN2C(=O)C3(OCCO3)c3ccccc32)C[C@@H](C)O1 39380663 UVRVMWSEQBJYAL-BETUJISGSA-N 318.373 1.300 0 40 DDAB CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccs1 226159520 HVZVSJMYPJLJOE-TYNCELHUSA-N 322.430 1.953 0 40 DDAB O=C(Cc1noc([C@@H]2CCCc3[nH]ncc32)n1)NC1CCCC1 89764917 JTEKGGUDXLHQPH-LLVKDONJSA-N 315.377 1.862 0 40 DDAB O=C(NCCn1ccnc1C1CC1)c1cnn(-c2ccccc2)n1 225565503 MOAYPFWIGALIDN-UHFFFAOYSA-N 322.372 1.771 0 40 DDAB CCO[C@@H]1COC[C@H]1Nc1ncc(C(=O)N(C)C)cc1Cl 570668685 OBEJOOBLVYRGJW-VXGBXAGGSA-N 313.785 1.653 0 40 DDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC2CCCC2)[C@H]1O 514288818 FMWHOSLLOOJJCV-GBESFXJTSA-N 318.461 1.821 0 40 DDAB biogenic,in-vitro O=C(CCc1cscn1)N[C@@H](Cc1ccccc1)C(=O)O 195542643 RFWVIWIWXPPEQK-ZDUSSCGKSA-N 304.371 1.888 0 40 DDAB CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)[nH]n1 95415391 OOLXDDSEJYVVEO-CHWSQXEVSA-N 313.423 1.400 0 40 DDAB CC(C)(CNC(=O)c1cccc(-n2cccn2)c1)S(C)(=O)=O 96451627 OSPSIYPAIGTTNN-UHFFFAOYSA-N 321.402 1.425 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3ccccn3)C2)C1 96051947 HSJPIXOFMDWNDM-DOTOQJQBSA-N 305.422 1.251 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12)NCC1CC1 96040816 DVQMOYGFSPDZSN-ZACQAIPSSA-N 318.417 1.890 0 40 DDAB CC(C)(C)N1CC(OC(=O)NS(=O)(=O)c2ccccc2)C1 144813095 WGRJSSZGYVAYSJ-UHFFFAOYSA-N 312.391 1.584 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@H]21)N1CCCCO1 96058297 IDAIERBDTGVYSO-OWCLPIDISA-N 308.422 1.677 0 40 DDAB O=C(COCc1nc(-c2cccnc2)no1)NCc1ccco1 96182081 MBMSEZNPYILDPZ-UHFFFAOYSA-N 314.301 1.558 0 40 DDAB CN(C)C(=O)CC1CCN(C(=O)NCCc2cscn2)CC1 96500574 OWCWTBMVUMCHSR-UHFFFAOYSA-N 324.450 1.586 0 40 DDAB c1cnc(N2CCOC[C@@]3(CCCN(CC4CC4)C3)C2)nc1 96049526 AJNLROGYEYXZIV-QGZVFWFLSA-N 302.422 1.805 0 40 DDAB CN1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)C1 333830831 LEHYEWQSRNLQAT-CXAGYDPISA-N 317.437 1.394 0 40 DDAB Cc1cnc([C@@H]2CCCN(C(=O)CCS(C)(=O)=O)C2)s1 95397696 YLUFWOUPKDKOFU-LLVKDONJSA-N 316.448 1.592 0 40 DDAB Cc1ccc2c(c1)[C@H](NCCN1CCCS1(=O)=O)[C@H](C)C2 230306314 GBLQDOGNHTUWTR-CZUORRHYSA-N 308.447 1.853 0 40 DDAB O=C(NC[C@H]1CNCCCO1)N1CCc2cc(Cl)ccc2C1 333857551 RHRPOCAVLIZWFP-OAHLLOKOSA-N 323.824 1.786 0 40 DDAB O=C(c1ccccc1O)N1CCN(C[C@@H]2CCCCO2)CC1 96452004 YWGZJMQXZOORRO-AWEZNQCLSA-N 304.390 1.719 0 40 DDAB O=C(C1CC=CC1)N1CCn2c(CN3CCCC3)nnc2C1 96259849 ONIGTKVGWANLNX-UHFFFAOYSA-N 301.394 1.182 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2cccc(F)c2)n1 539802397 ZFZICMXCRZMJDO-JTQLQIEISA-N 305.309 1.611 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O 245287246 BQSMUFXGLRLKIO-XJFOESAGSA-N 318.483 1.529 0 40 DDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cc[nH]n2)n1 257315504 VBSCDWGVWPXZDJ-OAHLLOKOSA-N 300.410 1.907 0 40 DDAB Cc1ncc(CNC(=O)c2cc[nH]n2)c([C@H]2CCCN2C)n1 257260522 LDFYZPYPANJNFD-CYBMUJFWSA-N 300.366 1.205 0 40 DDAB COc1ccc(OC)c(CN2CCN(c3nncs3)CC2)c1 267946595 PEBMXNBRNRPKCP-UHFFFAOYSA-N 320.418 1.878 0 40 DDAB CCn1nc(C(=O)N2CCO[C@H](c3ccncc3)C2)cc1C 257294440 QUDOTHWLARUENP-HNNXBMFYSA-N 300.362 1.820 0 40 DDAB Cc1cc([C@@H]2CN(CC3(O)CCOCC3)CCO2)nc(C)n1 257239552 HPVHAMHPPPYFJX-HNNXBMFYSA-N 307.394 1.008 0 40 DDAB COCCN1CCN(Cc2cnc([C@@H]3CCCCO3)nc2)CC1 257207269 BHAVTPCLPDMRFZ-INIZCTEOSA-N 320.437 1.482 0 40 DDAB Cc1c(CN2CCC[C@H]2c2nccc(CN(C)C)n2)cnn1C 257221891 DQZGOSQBXTVVLN-INIZCTEOSA-N 314.437 1.917 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 253473761 YDIFIONDUSMBBW-GFCCVEGCSA-N 318.329 1.526 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(c2ccc(F)cn2)C1 257231793 GIGLSFXXVUBKGH-JTQLQIEISA-N 324.381 1.731 0 40 DDAB Cc1nc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)co1 257299374 RPTPWFHUEWXAFI-ZDUSSCGKSA-N 316.361 1.434 0 40 DDAB CC(C)(C)CC(=O)N1CCC[C@H](Cc2cc(C(N)=O)ncn2)C1 257300192 RTGUWBVWFQZFIL-GFCCVEGCSA-N 318.421 1.793 0 40 DDAB O[C@H]1CCN(Cc2ccnc(N3CCCC3)n2)C[C@@]12CCCO2 257340274 ZFHOCXWTHKYUNY-RDJZCZTQSA-N 318.421 1.193 0 40 DDAB CCc1occc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 263544280 SIYMATUNDLJSGD-LLVKDONJSA-N 322.361 1.237 0 40 DDAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@H]2C[C@H]1CS2(=O)=O 575605425 FKQILFDZCTYGST-WDEREUQCSA-N 324.789 1.833 0 40 DDAB Cc1cnc(NCC[C@@H]2CCOC23CN(CC2CCC2)C3)nc1 585102864 LJFKSEKOSKYOBL-MRXNPFEDSA-N 316.449 2.478 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585289028 MLSHPIMQTPMCEJ-KRWDZBQOSA-N 303.358 1.724 0 40 DDAB CCCCN1C(=O)C(=O)N(Cc2nc(-c3ccco3)no2)C1=O 44089050 OPHWTONKLWJZAB-UHFFFAOYSA-N 318.289 1.421 0 40 DDAB CC(C)n1nc(/C(O)=N/S(C)(=O)=O)c2ccccc2c1=O 48479385 BLZGBFMRJWLYFS-UHFFFAOYSA-N 309.347 1.242 0 40 DDAB O=C(NCCOc1ccccc1)c1ccnc(-n2cncn2)c1 54676016 RLROGPQDEGKQFX-UHFFFAOYSA-N 309.329 1.471 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@@H]2CCCCN2CC(C)C)CC1 56970020 ODXTWNDIEZBNPD-INIZCTEOSA-N 309.454 1.578 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C[C@H](O)COCc2ccco2)c1 71876991 SZICDBJGQPEMOR-HOTGVXAUSA-N 319.405 1.827 0 40 DDAB O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1 97062350 NSPKGSFFKCKCCA-BDAKNGLRSA-N 309.347 1.095 0 40 DDAB CC(=O)N(C)C1CCN(c2c(C)c(C)nc3ncnn23)CC1 301306352 YWEVRRWBFVHYRV-UHFFFAOYSA-N 302.382 1.188 0 40 DDAB COc1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1F 270486831 FRNGZQKRSDTTCL-UHFFFAOYSA-N 307.325 1.008 0 40 DDAB CN1CCC(CNS(=O)(=O)Cc2ccc(F)cc2)CC1 22999781 QWAZGEPKTFZADP-UHFFFAOYSA-N 300.399 1.587 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O 13639098 RKKZDESZTPGZSN-OWCLPIDISA-N 315.417 1.977 0 40 DDAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nn1cnnc1 14405961 NZRQVJVNFGANQO-UHFFFAOYSA-N 321.340 1.843 0 40 DDAB C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)Cc1cccs1 156129774 SNXWZAYNNFMURQ-JTQLQIEISA-N 303.387 1.851 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NC1CCCCCC1 3618104 JPVGDJPGHKJBLO-UHFFFAOYSA-N 300.362 1.631 0 40 DDAB Cc1cccn2c(=O)nc(SCC(=O)NC3CCCC3)nc12 4504062 DCYSABNJBVGJEA-UHFFFAOYSA-N 318.402 1.549 0 40 DDAB Cc1nc(C)c(CN2CCO[C@H](C(=O)N3CCCC3)C2)s1 1889101211 PVRHSOZTDCAHTA-ZDUSSCGKSA-N 309.435 1.583 0 40 DDAB Cc1ncoc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984672 JLQQINGYOVWXTJ-MRXNPFEDSA-N 321.377 1.083 0 40 DDAB O=C(Cn1cc(Cl)cn1)N1CCC[C@@H](Cc2cc[nH]n2)C1 2037684434 OGEAEFJIEJEMMH-NSHDSACASA-N 307.785 1.741 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@@H]2C[C@@]21C(=O)NC1CCC1 2056225371 OSYAYOICRPGKOD-DYVFJYSZSA-N 306.406 1.463 0 40 DDAB CCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(C)s2)n1 5154952 UNSIWEUGVBKUCR-UHFFFAOYSA-N 311.392 1.223 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713347 DAXIVQMCGOKOJO-GFCCVEGCSA-N 304.394 1.206 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1 23106619 NGNWIHFAZCJMPT-GFCCVEGCSA-N 318.402 1.501 0 40 DDAB Cc1cc(C)nc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)n1 2298028261 GERGYHOCZWROTR-AWEZNQCLSA-N 300.410 1.538 0 40 DDAB O=C(NC1CCN(c2ncnc3ncccc23)CC1)C1CCC1 2298047643 JZGBVFURNINHQJ-UHFFFAOYSA-N 311.389 1.910 0 40 DDAB COCCN1CCCN(C(=O)c2cccc3c2OCCO3)CC1 96134097 OXEHOFVBQHYRLK-UHFFFAOYSA-N 320.389 1.252 0 40 DDAB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc3cnccc23)C1 73098927 JGEIFLPHUJQDTQ-LBPRGKRZSA-N 319.386 1.128 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(F)cc1 106404 GMKDMMMVGWMVJL-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB O=C(COC(=O)c1cccc(N2CCCC2=O)c1)NC1CC1 7620646 BLRBXCIVNXRQSQ-UHFFFAOYSA-N 302.330 1.249 0 40 DDAB O=C(N[C@@H]1CCc2ccccc21)N1CCN(c2ncccn2)CC1 40501124 MKNVATRXNAWVKV-MRXNPFEDSA-N 323.400 1.996 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c1 40536243 RMIVWVPQJVJCRS-HNNXBMFYSA-N 322.405 1.937 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 40539189 XHHUWAIBFRCMRQ-LBPRGKRZSA-N 320.345 1.766 0 40 DDAB COC(=O)CCSC(=O)NS(=O)(=O)c1ccc(C)cc1 1580513 AFYCJSBLKAVFAR-UHFFFAOYSA-N 317.388 1.690 0 40 DDAB O=c1cc(-c2ccccc2)nc(-n2[nH]c3c(c2=O)CCCC3)[nH]1 100925548 OOUVWNHMMDXNIM-UHFFFAOYSA-N 308.341 1.795 0 40 DDAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)O 36863876 PTENGFBIDHSNLQ-JTQLQIEISA-N 300.380 1.769 0 40 DDAB Cc1sc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N(C)C 6679481 UYSJDVSKGNITCT-UHFFFAOYSA-N 304.437 1.835 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 6738529 RHFHOEDNWKOTSK-BMIGLBTASA-N 322.361 1.348 0 40 DDAB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1O 101706961 AQONNWQDVGPGNB-SECBINFHSA-N 303.314 1.594 0 40 DDAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3ccncc3F)CC2)C1 108527847 SCPASYMSLYVLLE-ZDUSSCGKSA-N 321.396 1.936 0 40 DDAB CSc1nccn1-c1cccc(C(=O)Nc2nc[nH]n2)c1 52555577 LSTVMRKEYGRJRT-UHFFFAOYSA-N 300.347 1.965 0 40 DDAB CC(C)CN1CCO[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)C1 29872014 ZLYQZQRQIKTSEV-ZDUSSCGKSA-N 317.389 1.047 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1C 28577694 ZYYMQCWTXYXUBF-AOOOYVTPSA-N 301.412 1.318 0 40 DDAB NC(=O)C1CCN(C(=O)NC[C@@H]2COc3ccccc3C2)CC1 53491591 YZIGPTHDZFQONN-GFCCVEGCSA-N 317.389 1.145 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)n1 53454698 IALCPJHQOYJFTG-GFCCVEGCSA-N 318.377 1.095 0 40 DDAB CCOc1ccc2cc(C(=O)N3CC[C@@H](C(N)=O)C3)[nH]c2c1 53895276 AXKRXGIHQCFQJB-LLVKDONJSA-N 301.346 1.514 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@H](OCCCc2ccccc2)C1 75106274 XNTVSGRTZOZOHV-HNNXBMFYSA-N 312.435 1.517 0 40 DDAB CNC(=O)c1nn(C)cc1NC(=O)c1noc2c1C[C@H](C)CC2 2803872 ZGMKZSDFKXEXIW-MRVPVSSYSA-N 317.349 1.145 0 40 DDAB COc1ccnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1 24487085 VAOROKJXXALJAQ-CYBMUJFWSA-N 318.421 1.960 0 40 DDAB CC(C)[C@@H](C(=O)N[C@H](C)Cn1cccn1)N1C[C@@H](C)O[C@H](C)C1 106153840 IGADLOOHHUTBMF-FPCVCCKLSA-N 322.453 1.522 0 40 DDAB Cn1cc(CN2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)cn1 107745997 LMFLNJPNRHLSSW-MUJYYYPQSA-N 311.389 1.522 0 40 DDAB C[C@H]1CN(C(=O)[C@@H](C)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 12563369 FLHKCTUPMIRJFI-GRYCIOLGSA-N 306.362 1.852 0 40 DDAB CS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 106648441 NZVYHKPAPYTRST-IGQOVBAYSA-N 314.451 1.353 0 40 DDAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccn(C)n2)C1=O 28803045 LQIAALPOLRRABP-UHFFFAOYSA-N 321.381 1.249 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)OCC)cc1 56158685 ALNVKGVJCIZBCM-JTQLQIEISA-N 322.365 1.901 0 40 DDAB C[C@@H](NC(=O)CNc1cccc(S(C)(=O)=O)c1)c1ccco1 25699210 XSIDPCAOSXIDDV-LLVKDONJSA-N 322.386 1.972 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)o1 57323859 VDKOTJUHMBQJTN-JTQLQIEISA-N 314.349 1.568 0 40 DDAB Cc1cnc2c(S(=O)(=O)N3CCOC[C@@H]3C)cccc2c1 26846972 DZYHGKFBJTVCPN-LBPRGKRZSA-N 306.387 1.953 0 40 DDAB COc1ccc(CNC(=O)CSc2cccc[n+]2[O-])cc1 3222833 ZAMUUPZMTSCMDQ-UHFFFAOYSA-N 304.371 1.737 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCCC1 58178605 WEOSSMCLAIWFAI-VIFPVBQESA-N 318.345 1.254 0 40 DDAB COCCn1cc(NC(=O)NCc2ccc(CO)c(F)c2)cn1 58161842 FACQJTBMJPTBBU-UHFFFAOYSA-N 322.340 1.483 0 40 DDAB COc1ccc([C@@H]2CCN(Cn3nc4ccccn4c3=O)C2)cc1 58267716 HSRVLKVZBGCZFC-OAHLLOKOSA-N 324.384 1.952 0 40 DDAB Cc1ccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 58226359 LDJHZYWVQCTUEK-UHFFFAOYSA-N 310.419 1.491 0 40 DDAB COc1cccc(C[C@H](C(=O)NC(C)C)n2nnnc2C)c1 44948750 DDUAYQGSRSVOJD-CQSZACIVSA-N 303.366 1.299 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)nc2n1 44969922 LHZUHUGWXQOULC-CHWSQXEVSA-N 315.377 1.525 0 40 DDAB COC(=O)c1cnc(NC(=O)[C@H]2Cc3ccccc3O2)s1 12885805 KMSPRPMRLKOWBN-SNVBAGLBSA-N 304.327 1.872 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594677 OPBUVWKNKMCVQG-APPDUMDISA-N 315.373 1.295 0 40 DDAB Cc1cc(C)n(C[C@H]2CN([C@@H](C)c3nnc(C)o3)CCO2)n1 69349833 CLLPFHOPBYZJGQ-GXTWGEPZSA-N 305.382 1.653 0 40 DDAB C[C@@H]1C[C@H](OC(=O)c2ccc(N3CCCC3=O)cc2)C(=O)O1 8392990 WMCFFFBZALHYTQ-MFKMUULPSA-N 303.314 1.674 0 40 DDAB Cn1ccnc1CN1CCN(CCOc2ccccc2F)CC1 69486286 NMUQFZHUSJDMAI-UHFFFAOYSA-N 318.396 1.756 0 40 DDAB Cc1ccnc(NC[C@@H]2CCN(CC(=O)Nc3ccon3)C2)c1 65443910 RHGSHNJIGXIHQA-ZDUSSCGKSA-N 315.377 1.751 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)NCCCNc2ccccn2)C1 65457589 SYEHSRIUFPKYNX-AWEZNQCLSA-N 319.409 1.194 0 40 DDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1ccco1 14086771 BAFBMWDPYRMUSI-UHFFFAOYSA-N 312.325 1.625 0 40 DDAB COC(=O)c1cc(NC(=O)CN2CCCC2)cc(C(=O)OC)c1 14193474 CQRLLWDZKAHINI-UHFFFAOYSA-N 320.345 1.294 0 40 DDAB CC(C)COC(=O)N1CCN(C(=O)c2ccccc2O)CC1 65623373 CKJUVMUMNGADKQ-UHFFFAOYSA-N 306.362 1.943 0 40 DDAB CCOC(=O)[C@]1(CCC(C)C)C[C@@H](CSC(=N)N)OC1=O 8553002 QFKWHOWLLJPQED-HZMBPMFUSA-N 316.423 1.914 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](n3ccnc3)C2)n1 69660134 MJPCJAUOLKDWFA-HNNXBMFYSA-N 301.394 1.950 0 40 DDAB COc1ccc(OCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1 5525719 DAFFPAAJTIGCSY-GFCCVEGCSA-N 318.251 1.543 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(Cc2noc(C3CC3)n2)CC1 69627887 UNXPNPGCHOZARN-ZDUSSCGKSA-N 308.426 1.472 0 40 DDAB COc1cccc(C(=O)NCCNC(=O)c2ccc(F)cc2)c1 4776700 UDSZFHMSXNDQFF-UHFFFAOYSA-N 316.332 1.994 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4975346 STPIRLCPRPCNDK-GIVNFFOOSA-N 301.298 1.521 0 40 DDAB CC1CCN(C[C@H](O)CN2CCCC[C@@H]2Cn2cncn2)CC1 69815086 HURUJZCQMFELOI-SJORKVTESA-N 321.469 1.225 0 40 DDAB C[C@H]1CN(CC(=O)NCCc2c[nH]c3ccccc23)C[C@@H](C)O1 15375806 PLJGCZBSRWCTTN-OKILXGFUSA-N 315.417 1.936 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1csc(NC(C)=O)n1)CC2 69969506 BBSIEEZICGQZFM-SNVBAGLBSA-N 320.422 1.360 0 40 DDAB CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306136197 PMLCPCIHHYTLEE-CYBMUJFWSA-N 301.394 1.375 0 40 DDAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC[C@H](C(N)=O)C1 9683167 TVGULLINNCHXAV-STQMWFEESA-N 318.421 1.277 0 40 DDAB O[C@@H](COCc1ccco1)CN1CCn2c(nnc2C2CC2)C1 89797858 ZYJNQFIRNPKVQD-CYBMUJFWSA-N 318.377 1.142 0 40 DDAB CC(C)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)nn1C 89893330 GXVFKVUWEAGFMD-JSGCOSHPSA-N 309.435 1.890 0 40 DDAB C[C@@H](CNC(=O)NCc1cn2ccsc2n1)N(C)C1CC1 89901129 RUCQODFBTVIHQT-JTQLQIEISA-N 307.423 1.678 0 40 DDAB Cc1ccc(CNC(=O)CNC(=O)OCC(F)(F)F)n1C 72281718 VGKWHUMMJAQESS-UHFFFAOYSA-N 307.272 1.238 0 40 DDAB O=C1O[C@@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc21 19842899 ACUNJJKADMFOCP-GOEBONIOSA-N 316.357 1.179 0 40 DDAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72277589 ZTURLDNSESRXHJ-GFCCVEGCSA-N 321.377 1.957 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCC[C@@H]1OC 96461548 XHJOKQQGHXAJQO-AVGNSLFASA-N 321.425 1.932 0 40 DDAB COc1ccc(S[C@H](C)C(=O)N2CCS(=O)CC2)cc1 71846993 QIZPTUASFTWDNK-LLVKDONJSA-N 313.444 1.767 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)Nc2cnc3onc(C)c3c2)c1C 72296685 QKRRMFBNCOARIO-UHFFFAOYSA-N 313.317 1.494 0 40 DDAB CCn1nc(C)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1C 72235087 HPVLCVZRFBDRCQ-CYBMUJFWSA-N 302.382 1.589 0 40 DDAB Cc1nn(C)cc1C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 97011642 ZKDPRVAJBGKTQS-CQSZACIVSA-N 320.437 1.492 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)Cc2ccccc2)C1 89954624 MIHDFGPIPJMYJW-QRQCRPRQSA-N 322.430 1.062 0 40 DDAB CS(=O)(=O)CCN1CCN(CC2CCCCCC2)CC1 97140494 VDZQVSYLCPNFKN-UHFFFAOYSA-N 302.484 1.619 0 40 DDAB COc1cccc(-c2ccc(=O)n(CN3CCN(C)CC3)n2)c1 72405480 JVGIMYKQZRXGMR-UHFFFAOYSA-N 314.389 1.124 0 40 DDAB Cn1c(CNC(=O)c2cc(F)c(O)c(F)c2)nnc1C1CCC1 97378203 KEBANWFXCWRFSQ-UHFFFAOYSA-N 322.315 1.996 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84432101 PDBHCXKDXSEVFK-YJNKXOJESA-N 304.390 1.441 0 40 DDAB CCN(CC)[C@H]1CCN(C(=O)Nc2nnc3ccccn23)C1 76070062 IRYMAULJLGXENL-LBPRGKRZSA-N 302.382 1.677 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cnn(CC)c3)CCO2)n1 76045821 LJQYFGDCZPBMHZ-LBPRGKRZSA-N 318.381 1.187 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COc1ccccc1 84556773 XPQODPNAHKJVTF-AEGPPILISA-N 301.342 1.378 0 40 DDAB Cc1cc(N[C@H]2CCCNC2=O)n2nc(C(F)(F)F)nc2n1 95389922 ORCRGFQZXTYYLN-ZETCQYMHSA-N 314.271 1.142 0 40 DDAB CC(C)c1ccc([C@@H](N)CNS(=O)(=O)c2cn(C)cn2)cc1 95432023 NLQBFZUPGHVROJ-AWEZNQCLSA-N 322.434 1.522 0 40 DDAB CCO[C@H]1C[C@@H](N(C)CC(=O)NCc2cccnc2)C1(C)C 84800699 OQOHIHOGMSFCCE-CABCVRRESA-N 305.422 1.833 0 40 DDAB Cc1noc([C@@H](C)N2CCC(C(=O)Nc3ncccn3)CC2)n1 95952965 YLLRPGQYBWEQHM-SNVBAGLBSA-N 316.365 1.580 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382011 XECGOQLECKSGMU-NFFDBFGFSA-N 303.314 1.678 0 40 DDAB Nc1c(C(=O)NCC2CC2)nsc1C(=O)NCc1ccco1 67335023 TVIGDRCPQPCKPV-UHFFFAOYSA-N 320.374 1.388 0 40 DDAB COCCN1CCC[C@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1007498211 IZVVVGQJCXLWKJ-VIFPVBQESA-N 320.315 1.269 0 40 DDAB CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1nnc(C2CC2)n1C 521920402 LTPIPWIZPJNVIP-RRFJBIMHSA-N 320.437 1.708 0 40 DDAB CC(C)c1nncn1CCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 73145976 GSGGHZXHCIZWAD-AWEZNQCLSA-N 318.352 1.661 0 40 DDAB CCN(CC)CCCNC(=O)C(=O)Nc1cccc2[nH]ccc12 36360131 GJAZLIXPSBOZCY-UHFFFAOYSA-N 316.405 1.955 0 40 DDAB CN(C)CCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 71282616 UJXZBOIXZZOQQQ-UHFFFAOYSA-N 309.369 1.714 0 40 DDAB Cc1c(NC(=O)/C=C\C(=O)O)c(=O)n(C)n1-c1ccccc1 32223190 YEKSHRUNXIJUDF-HJWRWDBZSA-N 301.302 1.064 0 40 DDAB Cc1nnc([C@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)o1 559697618 PABUYOBTSXCFMN-JTQLQIEISA-N 317.349 1.101 0 40 DDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1cccnc1 79494615 YUEPBJKJRFZHFR-UHFFFAOYSA-N 301.346 1.730 0 40 DDAB CN1CCC[C@@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1 72387180 USJWNAOAXILQDV-ZDUSSCGKSA-N 317.437 1.063 0 40 DDAB O=C(CCN1C(=O)CCC1=O)N[C@@H]1C[C@H]1c1ccccc1F 565584869 QSZZAMOPVBRZML-WCQYABFASA-N 304.321 1.337 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)c3cscn3)C2)cc(=O)[nH]1 72364179 SWEFVFYYUIJVIV-JTQLQIEISA-N 304.375 1.555 0 40 DDAB CC(=O)N1CCN(C(=O)CCNC[C@@H]2C(C)=CCC[C@H]2C)CC1 134172878 UGTDDYCHNAVIKC-NVXWUHKLSA-N 321.465 1.649 0 40 DDAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccccc1 224294848 JSXYCVFYDBJUBC-UHFFFAOYSA-N 306.391 1.960 0 40 DDAB COc1ccc(C(=O)Nc2nn3c(C)nnc3s2)cc1OC 41076393 SYEXNFSDXBRIEO-UHFFFAOYSA-N 319.346 1.764 0 40 DDAB C/C(=C\c1ccccc1)C(=O)N[C@@H]1CCc2nn(C)c(=O)cc2C1 225789068 VNJMUFIYUUONNY-QSOAKEGCSA-N 323.396 1.857 0 40 DDAB O=C(NC[C@@H]1OCCc2ccccc21)c1cc2c([nH]c1=O)CCC2 49543788 OMMNRCJCESJXQR-KRWDZBQOSA-N 324.380 1.907 0 40 DDAB biogenic Cc1cc(O)nc2cc(C(=O)NC[C@H](C)S(C)(=O)=O)ccc12 570546824 VBSZCHWIGRSHTI-JTQLQIEISA-N 322.386 1.412 0 40 DDAB O=C(c1ccccc1)N1CCC(CN2C(=O)CNC2=O)CC1 85558402 WLRVPUJSHCQFJV-UHFFFAOYSA-N 301.346 1.091 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1C1CCSCC1 46087979 JDRZZVAULPPVPB-UHFFFAOYSA-N 320.418 1.165 0 40 DDAB CCN1CCO[C@@H](C(=O)Nc2ccccc2CN2CCCC2)C1 81256030 TYNMLAJZBHMAAV-QGZVFWFLSA-N 317.433 1.942 0 40 DDAB CN1CCC(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1 195527476 OEMGSFGAOBMCCQ-UHFFFAOYSA-N 314.426 1.977 0 40 DDAB CCOCC(=O)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96106026 BUKLHIQZYFCGBD-OAHLLOKOSA-N 311.422 1.847 0 40 DDAB CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 96184319 NEKDZFWFYGRYRS-LSDHHAIUSA-N 307.463 1.527 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)no1 96192150 IJHIPMJTRNUOGR-NSHDSACASA-N 317.349 1.752 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2 96047348 IIUUHKKZZNMLRQ-UHFFFAOYSA-N 303.410 1.841 0 40 DDAB O=C(c1cccnc1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201823 ONQNJKRBFNFIQM-QFBILLFUSA-N 321.380 1.828 0 40 DDAB Cn1cc(N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2=O)cn1 96245252 MAEJIZCEOJUYLE-AAEUAGOBSA-N 316.386 1.217 0 40 DDAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCOCC3)C2)cc1 96192579 FRZYJBRITKQRJJ-INIZCTEOSA-N 304.346 1.437 0 40 DDAB C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)CC2CCOCC2)C1 249188955 OWEADKNOXVKGRK-KBPBESRZSA-N 318.483 1.453 0 40 DDAB O=C(O)[C@H](CNC(=O)[C@@H]1CCCOC1)Cc1cccc(F)c1 345917426 JOZBTTWKSAFIKM-OLZOCXBDSA-N 309.337 1.612 0 40 DDAB Cn1cc(C(=O)N2CCCC[C@@H]2c2ncc(C(N)=O)s2)cn1 257262473 LLMUTYPJEPLITC-SNVBAGLBSA-N 319.390 1.343 0 40 DDAB Cc1cc(N(C)C)nc([C@H]2COCCN2Cc2cc(C)on2)n1 257327535 XBTFBHSIJGMCLP-CQSZACIVSA-N 317.393 1.721 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)c2cncs2)cc1 257233249 GOKVKPZULYUNCV-ZDUSSCGKSA-N 303.387 1.938 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)c3ncoc3C)CCO2)n1 257208780 BNODSWVELAIXIS-LBPRGKRZSA-N 302.334 1.633 0 40 DDAB Cc1cc(NC2=NCCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 256029995 HKGBFILTVMLBAZ-GFCCVEGCSA-N 310.423 1.936 0 40 DDAB CNc1cncc([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257223547 DXWBHXAFANUHBL-CYBMUJFWSA-N 310.423 1.928 0 40 DDAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cnccn2)ccn1 257332577 XXXRVPOEQYDWJO-QGZVFWFLSA-N 311.389 1.845 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)CCc2cccc(F)c2)CC[C@@H]1O 257335583 YKXBFLFRSYOVCO-HOTGVXAUSA-N 322.380 1.246 0 40 DDAB CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c(C)n1 257318578 VONWGQPNLHCWSW-BZUAXINKSA-N 320.437 1.271 0 40 DDAB NC[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515289 IFEBLMVDUZKFJD-BBWFWOEESA-N 317.410 1.564 0 40 DDAB CCn1cccc1-c1noc(CNC(=O)[C@@H](C)n2cccn2)n1 252494684 OBQMFMLWUWKHRK-LLVKDONJSA-N 314.349 1.632 0 40 DDAB CNC(=O)CN1CCOC[C@H](Cc2cccc3occc23)C1 257218131 DBZFHJVBZOXHMN-CYBMUJFWSA-N 302.374 1.670 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)C[C@H]1CCCCC1(F)F 263222217 QXWBYEUHENVTJQ-SNVBAGLBSA-N 313.366 1.938 0 40 DDAB Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ncn1 575617734 WLCAWBIEUAVSSJ-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB COC[C@H](NS(=O)(=O)N1CCCC1)c1cccc(OC)c1 585091967 VUXAFUZLXUAJGD-AWEZNQCLSA-N 314.407 1.313 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)Cc1ccccc1C 585275980 CGJWJDKLWDRLPN-QGZVFWFLSA-N 304.390 1.421 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(F)cn1)C2 585108589 WTDRCPNKHFOITL-RDJZCZTQSA-N 322.380 1.807 0 40 DDAB Cc1ncc(C(=O)N2CC(F)(F)C[C@@]3(CCN(C)C3=O)C2)[nH]1 585093156 FUZDTYNUGYBLSO-ZDUSSCGKSA-N 312.320 1.048 0 40 DDAB CC1(CO)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551487038 OZXHPBFCBDAUIR-HUUCEWRRSA-N 303.406 1.415 0 40 DDAB NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 71888225 KXMOGAVOPXZJMH-UHFFFAOYSA-N 306.181 1.488 0 40 DDAB NC(=O)COc1cccc(Cn2c(=O)sc3ccccc32)c1 72674846 NGKWHFXJCPTJLG-UHFFFAOYSA-N 314.366 1.975 0 40 DDAB COc1ncc(Cl)c(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 95970981 YBCIZZXURUCSPL-NXEZZACHSA-N 310.785 1.443 0 40 DDAB NC(=O)C[C@@H](NC(=O)Nc1ccc(F)cc1)C1CCOCC1 75110595 QZDHARLGASXHRC-CYBMUJFWSA-N 309.341 1.618 0 40 DDAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](C)O)no2)c1 97230536 KBZGXHJLFVVHOK-VIFPVBQESA-N 306.318 1.469 0 40 DDAB COc1cc(CNC(=O)N2CCOCC2)c2ccccc2n1 75503603 RDVUVGSGBPAWHF-UHFFFAOYSA-N 301.346 1.785 0 40 DDAB Nc1noc(CCNC(=O)[C@H]2C[C@]23CCCc2ccccc23)n1 98016485 IJOHFYJZTLJBLD-DYVFJYSZSA-N 312.373 1.605 0 40 DDAB C=C1C2=C(Nc3nnnn3[C@H]2c2ccccc2)C(=O)N1CC(C)C 15105924 TVLILZUAYLJDST-HNNXBMFYSA-N 322.372 1.954 0 40 DDAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1cccs1 206817136 XZIQEDBRAVRAID-SECBINFHSA-N 315.445 1.762 0 40 DDAB Cc1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)O)[nH]1 8272212 IYIPTOHHVJKCNL-YHYXMXQVSA-N 322.302 1.945 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@@H]2[C@@H]1C(=O)O)OCCO3 309850827 JKWOLNXRPQAVAW-GARJFASQSA-N 313.350 1.460 0 40 DDAB Cn1cc(CN2CCO[C@](CO)(Cc3ccc(F)cc3)C2)cn1 643914800 XDGUWMUDNQUGJE-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(Cc3cnoc3C)CC2)n1 1889090352 MVVUNMQLUXQLLM-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB Fc1ccc(OC[C@H]2CCN(c3ncnc4[nH]cnc34)C2)nc1 1889179240 RNSZXYRZEDVASH-JTQLQIEISA-N 314.324 1.792 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)NCCc1cn2ccccc2n1 27968730 LSEVGJRJNSTIAM-ZDUSSCGKSA-N 322.434 1.586 0 40 DDAB Cn1ncc(C(=O)N2CCC3(CC2)OCCO3)c1-n1cccc1 24998546 YEYPLWXPICRMOE-UHFFFAOYSA-N 316.361 1.190 0 40 DDAB O=C(NC[C@H]1Cn2nnc(-c3ccoc3)c2CO1)C1(F)CCC1 1565548378 CFHIUDAUMNKPID-NSHDSACASA-N 320.324 1.445 0 40 DDAB COc1cc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)on1 1565547824 ODBMVGZONAFMAQ-GXTWGEPZSA-N 323.393 1.255 0 40 DDAB O=S(=O)(NCc1nnnn1C1CCCCC1)c1ccccc1 10594641 CMBFCRRUFVGXIH-UHFFFAOYSA-N 321.406 1.657 0 40 DDAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccccc1 23143636 ULVJECXYPSZJLC-UHFFFAOYSA-N 321.354 1.773 0 40 DDAB O=C(CSCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1 618255984 BITSXJHBFQWDDF-CQSZACIVSA-N 320.414 1.973 0 40 DDAB COCCS(=O)(=O)CC(=O)N[C@H]1CCCc2ccccc21 40070244 CJLXJQNISQWWDC-AWEZNQCLSA-N 311.403 1.241 0 40 DDAB Cc1cccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 40457374 ZKKZLTXOHLYRNH-CYBMUJFWSA-N 311.403 1.328 0 40 DDAB O=C(CCN1CCSC1=O)Nc1ccc(-n2ccnc2)nc1 40496884 KNJVQVNHNGWSMW-UHFFFAOYSA-N 317.374 1.765 0 40 DDAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(S(C)(=O)=O)cc1 10968145 SSEPXTUPFYULQI-JTQLQIEISA-N 320.370 1.269 0 40 DDAB C[C@@H](C(=O)Nc1cccnc1)N(c1ccccc1)S(C)(=O)=O 79974 UHZQGVMQIWDOKW-LBPRGKRZSA-N 319.386 1.875 0 40 DDAB COc1cccc(N2CCN(C(=O)c3nccnc3N)CC2)c1 31385103 ADJWZGHHORXXMN-UHFFFAOYSA-N 313.361 1.030 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 20367527 UBHKMFOTFQROLB-QLFBSQMISA-N 316.401 1.984 0 40 DDAB NC(=O)CC1CCN(C(=O)c2ccc(Br)o2)CC1 40542578 ATURUSOQMJMNNW-UHFFFAOYSA-N 315.167 1.770 0 40 DDAB Cc1c(Cl)c(C(F)F)nn1CC(=O)NN1CCOCC1 2777974 LDZJBQWMIKPEOA-UHFFFAOYSA-N 308.716 1.146 0 40 DDAB CNC(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 40556343 IGYWVLAPOIOPGH-UHFFFAOYSA-N 321.377 1.884 0 40 DDAB Cc1cc(NC(=O)[C@H](C)n2nnc(-c3cccc(F)c3)n2)on1 31735144 SRUCMJXDYZYOCL-VIFPVBQESA-N 316.296 1.975 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc2ccccc2o1 4502615 PVOISKQCTSKJTC-ZDUSSCGKSA-N 311.301 1.881 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=S)n2Cc2cccnc2)C1 20567609 QVFXAAIMSMZRNC-UHFFFAOYSA-N 317.418 1.944 0 40 DDAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 6340328 CNSUKXHHHYVUBA-HOTGVXAUSA-N 308.385 1.929 0 40 DDAB Cc1cc(C)n(C(=O)CNC(=O)[C@H]2COc3ccccc3O2)n1 286468 UTELGUOXRYQSRV-CQSZACIVSA-N 315.329 1.096 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(F)cc1)CS2 7345436 QXIWHECIEGLROK-SWLSCSKDSA-N 308.378 1.896 0 40 DDAB C=Cn1nnc(NC(=O)c2cc(OCC)cc(OCC)c2)n1 10119565 NBXZDLHYKGZPAY-UHFFFAOYSA-N 303.322 1.823 0 40 DDAB Cc1cc(O)c2c(C)c(CC(=O)NCCC(=O)O)c(=O)oc2c1 20610292 NDNOYMXWOUXPFR-UHFFFAOYSA-N 319.313 1.249 0 40 DDAB biogenic Cn1c(C(=O)NCCNC(=O)c2cccnc2)cc2ccccc21 32124408 KFFNOFIMYCODHO-UHFFFAOYSA-N 322.368 1.733 0 40 DDAB biogenic COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 101359530 KONWAFWYYOOUOD-KBXIAJHMSA-N 313.309 1.341 0 40 DDAB Nc1ncc(NC(=S)Nc2ccc(C(=O)O)cc2)c(O)n1 8617777 BJKCORPTJXNGHT-UHFFFAOYSA-N 305.319 1.272 0 40 DDAB Cn1c(S)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O 102777491 JIMRJXBFJSOMCY-JTQLQIEISA-N 319.386 1.131 0 40 DDAB CC(=O)NCCCC(=O)NC[C@@H](C)N1CCc2sccc2C1 46243861 RBLVSDGFSZSBAU-GFCCVEGCSA-N 323.462 1.527 0 40 DDAB CCCNC(=O)[C@@H](C)SCc1nnnn1-c1ccccc1 32772116 AOZYJUQXVPZCDX-LLVKDONJSA-N 305.407 1.810 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)c1 69486291 BBAFGRGJSNXBNH-HIFRSBDPSA-N 316.405 1.366 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 108529245 VSRNRGZUXZTUKZ-KBPBESRZSA-N 308.378 1.150 0 40 DDAB CNS(=O)(=O)c1cc(NC(=O)c2cc(C)on2)ccc1C 9315622 AOVCSQUQFALZJS-UHFFFAOYSA-N 309.347 1.452 0 40 DDAB COCCCNC(=O)CN1CCCC[C@H]1Cn1nc(C)cc1C 75132996 GSVAJWZDMNBTBG-INIZCTEOSA-N 322.453 1.507 0 40 DDAB Cc1nc(CCNC(=O)c2cnc3ccccn3c2=O)cs1 32902213 IXXCDCXWYRNZHI-UHFFFAOYSA-N 314.370 1.432 0 40 DDAB C[C@H]1CN(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C[C@@H](C)O1 37187874 WXGJQEYKGBFLAR-FOCJUVANSA-N 309.410 1.554 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCSCC2)[C@@H]1c1ccccc1 57355869 WSJQCUMHGXPGOO-LSDHHAIUSA-N 320.414 1.160 0 40 DDAB C[C@H]1CN(S(=O)(=O)Nc2ccc(C(=O)O)cc2)C[C@@H](C)O1 37462823 YMTHXYYRKOJVDN-AOOOYVTPSA-N 314.363 1.151 0 40 DDAB O=C(/C=C/c1nc2ccccc2s1)NCCN1CCOCC1 24574494 UAVIHYCKNKIJAN-AATRIKPKSA-N 317.414 1.758 0 40 DDAB COc1ccc(Br)cc1CNCCNCCO 22075412 WTHKOPDNCXYJFK-UHFFFAOYSA-N 303.200 1.129 0 40 DDAB C[C@H]1CN(CCN(C)CCN2C[C@@H](C)OC[C@@H]2C)[C@@H](C)CO1 108360332 PETNUGAWVIEURH-LUKYLMHMSA-N 313.486 1.137 0 40 DDAB CN1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1=O 44709578 SBXKYNKJNYCRBN-HIFRSBDPSA-N 320.364 1.594 0 40 DDAB COc1ccc(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1F 44890601 DGOFBEORBNEMJJ-CQSZACIVSA-N 320.364 1.646 0 40 DDAB O=C(NCCn1cnc2ccccc21)c1ccc2[nH]nnc2c1 58200843 VXCVSEKRFCRANK-UHFFFAOYSA-N 306.329 1.738 0 40 DDAB COc1ccccc1N1CCN(CC(=O)N[C@H](C)C2CC2)CC1 58380264 IOFXSKYCVGGKAC-CQSZACIVSA-N 317.433 1.732 0 40 DDAB CN1CCN(c2ncccc2CNC(=O)C[C@H]2C=CCC2)CC1 58328907 RAOCJRXEAFABLW-HNNXBMFYSA-N 314.433 1.806 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 48082740 WASYFHNLOVLLSC-LLVKDONJSA-N 303.366 1.021 0 40 DDAB CNC(=O)c1cccc(CNC(=O)NCc2csc(C)n2)c1 45343121 VOPCUPQQQRUFRO-UHFFFAOYSA-N 318.402 1.811 0 40 DDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(Cl)c1 12755898 NURVJNUUKOMGHH-VIFPVBQESA-N 307.737 1.067 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(Cl)c1 12755893 NURVJNUUKOMGHH-SECBINFHSA-N 307.737 1.067 0 40 DDAB CCCCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 3620209 NTUYYRSGVHLECU-UHFFFAOYSA-N 310.375 1.138 0 40 DDAB CCOCCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69586978 FOJPDSDWONAAIY-CQSZACIVSA-N 321.421 1.857 0 40 DDAB COc1ccc(NC(C)=O)cc1NCC(=O)NCc1ccco1 69517470 UUOFEFWQMQQXBR-UHFFFAOYSA-N 317.345 1.975 0 40 DDAB COCC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007655 KVJGICFYJANVNR-QMMMGPOBSA-N 312.313 1.804 0 40 DDAB CCN(CC)CCn1cc(NC(=O)c2c(C)nn(C)c2C)cn1 63476647 DHXPBRVFNHAMBF-UHFFFAOYSA-N 318.425 1.828 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3csc(C)n3)CC2)nn1 69707542 KXCKSIZWEKAPLE-UHFFFAOYSA-N 317.418 1.902 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H]2CCOC2=O)cc1 8637534 QIEVWNOSAHBEAQ-LBPRGKRZSA-N 312.343 1.018 0 40 DDAB c1ccc(Cn2ccnc2)c(CNC[C@H]2CNc3ccnn3C2)c1 69848296 BOKJUGCVVZQWBH-HNNXBMFYSA-N 322.416 1.959 0 40 DDAB CCC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 69870521 SEASTAXXYAZKPU-GFCCVEGCSA-N 314.382 1.505 0 40 DDAB CN1CCN(c2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1 14233622 HZTMYIXKLWGUHF-UHFFFAOYSA-N 324.450 1.054 0 40 DDAB Cn1ncc2c(N3CCC(C(=O)N4CCCC4)CC3)ncnc21 14300354 BCDSDDFIQSZOCO-UHFFFAOYSA-N 314.393 1.202 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 69919171 QCFYQEQUSAWKBR-MRXNPFEDSA-N 320.408 1.772 0 40 DDAB O=C1CN(C(=O)Cn2nnc3ccccc32)c2ccccc2N1 7462087 NBUQJKQSXCGEED-UHFFFAOYSA-N 307.313 1.417 0 40 DDAB C[C@H](OC(=O)c1cc2ccccc2s1)C(=O)N1CCNC1=O 7841482 PIRCKHCAYZFKEJ-VIFPVBQESA-N 318.354 1.998 0 40 DDAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccn1 8164274 BJWPKGZLIBAVIK-NSHDSACASA-N 304.371 1.976 0 40 DDAB O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCCC[C@H]1CO 81633799 FYZYGVSMRIVZDY-JSGCOSHPSA-N 315.377 1.940 0 40 DDAB CC(C)CN(CC(C)(C)C)C(=O)NC[C@H]1CN(C)CCN1C 89840121 YSFQFJDYBIFEEL-HNNXBMFYSA-N 312.502 1.946 0 40 DDAB CC(C)Nc1ncccc1C(=O)NCC(C)(C)N1CCOCC1 70005851 JOROYCQVVIYJLJ-UHFFFAOYSA-N 320.437 1.743 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCCN(c2cccnn2)CC1 70039983 LKIRABQNEKYKDS-UONOGXRCSA-N 312.373 1.912 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccncc3)n[nH]2)C1 72256032 ZSEAMSLFUKYALC-ZDUSSCGKSA-N 313.361 1.669 0 40 DDAB NC(=O)c1cncc(N2CCC[C@H](COc3ccccc3)C2)n1 89845764 VTXMKYDRIPLHAL-ZDUSSCGKSA-N 312.373 1.871 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCCCCCC1 96402296 UDNPHSVWJKUKDE-UHFFFAOYSA-N 306.410 1.564 0 40 DDAB COC(=O)c1ccc(N2CCN([C@@H]3CCOC3=O)[C@H](C)C2)cc1 71851719 HEXLXZRQSNRLTN-IUODEOHRSA-N 318.373 1.299 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccc2c1OCO2 71857650 WZDUXNFJYRRVLC-BXUZGUMPSA-N 321.329 1.426 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)o1 71870443 BXLLFGDQJALSAT-LSDHHAIUSA-N 319.405 1.615 0 40 DDAB O=C1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CCN1 71839468 LUNQOSSRJZBXBD-GDBMZVCRSA-N 302.374 1.503 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)CCCn2cncn2)C1 71875057 RPNWVJUCOKBZQZ-AWEZNQCLSA-N 302.382 1.427 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)cn1 71830405 CHIHDHMDPPDVIE-SJORKVTESA-N 310.401 1.872 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(C)(C)O1 71831141 ILYFMCBXAVCZOC-SNVBAGLBSA-N 321.402 1.484 0 40 DDAB COc1ccc(CNC(=O)NCCCn2cccn2)cc1F 83953165 WMLRIVQCPMXKBD-UHFFFAOYSA-N 306.341 1.920 0 40 DDAB O=C(CN1CCC[C@@H](CO)C1)NCCOc1ccc(F)cc1 75617388 ZTDBTAMZWUBCTE-CYBMUJFWSA-N 310.369 1.025 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)C2)no1 72231735 BMUFPXITAHEQRK-BNOWGMLFSA-N 323.393 1.668 0 40 DDAB COCCc1noc(CN2CCC[C@@H](c3ccnn3C)C2)n1 72270998 MQIRXTHSJIMMOT-GFCCVEGCSA-N 305.382 1.372 0 40 DDAB Cc1n[nH]c(C)c1CNC[C@@]1(N2CCOCC2)CCSC1 97160052 AMYTYDNKQLPLGZ-HNNXBMFYSA-N 310.467 1.324 0 40 DDAB O=C(CCCNC(=O)[C@H]1C[C@H]1c1ccco1)Nc1cn[nH]c1 97212457 UEMDZMBZOXTQMU-NEPJUHHUSA-N 302.334 1.641 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@H](CO)C2)c1 76139032 JRRCWPSPSZWEBU-LBPRGKRZSA-N 316.365 1.207 0 40 DDAB O=c1[nH]c(=O)n(C[C@H](O)c2ccccc2Cl)cc1Cl 72914795 DNFDCXOFYGHEGJ-JTQLQIEISA-N 301.129 1.577 0 40 DDAB CN1CCC[C@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 95419122 AASCDYYQNHEFSG-AWEZNQCLSA-N 303.406 1.383 0 40 DDAB Cc1cccc2nc(CNC(=O)c3ccc(=O)n(C)c3)n(C)c12 95429883 WOPXHNDUMQFNAD-UHFFFAOYSA-N 310.357 1.510 0 40 DDAB CCc1n[nH]c([C@@H]2CN(Cc3cccc4c3OCO4)CCO2)n1 95430526 OIOGAUJHTBUFGF-ZDUSSCGKSA-N 316.361 1.669 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95455573 CDNCNUIQEQJMGI-TZMCWYRMSA-N 322.380 1.829 0 40 DDAB CN(C)c1cccc(CNC(=O)N[C@H]2CCCn3ncnc32)n1 95437666 PTLFVPXSZKNJOF-LBPRGKRZSA-N 315.381 1.073 0 40 DDAB CC[C@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1N1CCOCC1 84735802 YTBSHNSTGAWMTP-JKSUJKDBSA-N 320.437 1.233 0 40 DDAB O=C(Cc1noc(CNC(=O)C2CC2)n1)Nc1ccccc1 78803039 UNHKLDWDELTNQG-UHFFFAOYSA-N 300.318 1.277 0 40 DDAB CCN1CCO[C@H](C(=O)NCc2ccc(OC(C)C)c(F)c2)C1 78903295 BOASBCZNYVOQDM-INIZCTEOSA-N 324.396 1.950 0 40 DDAB O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCO1 79013522 YTWISKLFHSRSIK-LBPRGKRZSA-N 308.344 1.946 0 40 DDAB C[C@H](C(=O)NCC(=O)NCc1ccncc1)N1CCCCCC1 95962349 WLCKSVYWBQXQCT-CQSZACIVSA-N 318.421 1.079 0 40 DDAB COCCN1C[C@@H](C(=O)Nc2ccc3c(c2)CCO3)CC1=O 74458299 JLLOMCDQERAXBP-LBPRGKRZSA-N 304.346 1.055 0 40 DDAB CNC(=O)c1ccc(N[C@H]2CCOc3cc(OC)ccc32)nn1 74766557 JTAAFNZTEKQVMO-LBPRGKRZSA-N 314.345 1.781 0 40 DDAB O=C1CO[C@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1ccccn1 67897158 OJDZIFWCJWPNCI-SJORKVTESA-N 324.384 1.088 0 40 DDAB biogenic,in-vitro NC(=O)c1cn[nH]c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 72366191 UFVMEBBFVSLEDS-LBPRGKRZSA-N 320.374 1.034 0 40 DDAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32610889 BQZDZELFPGHCRQ-ZDUSSCGKSA-N 310.419 1.612 0 40 DDAB C[C@@]1(CO)CN(C(=O)Nc2cc3ccccn3n2)C[C@]1(C)CO 529093303 NUUFEQYOBGKLDW-IYBDPMFKSA-N 318.377 1.179 0 40 DDAB NC(=O)Cc1csc(NC(=O)Cc2ccccc2C(=O)O)n1 71285482 WBOANKCRFHZLQX-UHFFFAOYSA-N 319.342 1.050 0 40 DDAB CCOCc1cccc(S(=O)(=O)N2CCSCC2)c1 72241254 DUTNKNKUUHIAED-UHFFFAOYSA-N 301.433 1.961 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c(C)c1 32854326 BPVACJXDXKFFKI-KBPBESRZSA-N 318.373 1.470 0 40 DDAB CCOC(=O)CN1CCO[C@@H](COc2c(C)cccc2C)C1 217493530 UPUSWDDJABPCST-OAHLLOKOSA-N 307.390 1.946 0 40 DDAB COCCN1Cc2cc3cc4c(cc3nc2OCC1=O)OCO4 72341573 PWJYAPGGRDXRAB-UHFFFAOYSA-N 316.313 1.331 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1cccnc1N1CCOCC1 32355205 YAWVOQSZPHVVCC-HNNXBMFYSA-N 319.405 1.494 0 40 DDAB CC(=O)N1CCC[C@H](c2ncc(C(=O)N3CCCC3)c(C)n2)C1 72352007 JJUXGCAYKKJNFR-AWEZNQCLSA-N 316.405 1.747 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2ccc(N3CCCC3)nc2)C1 72364651 IVWUYMCHOCYPKC-OAHLLOKOSA-N 323.462 1.896 0 40 DDAB CNc1ccc([C@@H]2CN(C(=O)c3cscn3)CCO2)nc1 72388089 SSCMLCWXUJYCNX-ZDUSSCGKSA-N 304.375 1.794 0 40 DDAB CNC(=O)c1cn(C)c(-c2nc3cc(N)ccc3n2C)c1OC 36369813 WMNUHUBSRHYYFX-UHFFFAOYSA-N 313.361 1.529 0 40 DDAB biogenic CC[C@@H]1CN(C(=O)NC2CCC(C(=O)NC)CC2)C[C@H](C)O1 78925281 YROBDJPPIAVODU-GFJIZPEISA-N 311.426 1.500 0 40 DDAB CCCn1c(CN2Cc3nc(N)ncc3C2=O)nc2ccccc21 46087674 JILFBSUJGRQNDN-UHFFFAOYSA-N 322.372 1.975 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2cccc(F)c2)CC1 44869691 PXHCWKKJQZZBGR-UHFFFAOYSA-N 300.355 1.115 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(Cl)cc2OC)C1 45953062 KBGAUKIMCSZAHP-MRVPVSSYSA-N 313.737 1.883 0 40 DDAB Cc1nc(Cc2ccc(NS(C)(=O)=O)cc2)ncc1C(=O)O 226106018 QCWABRFCCZQCTM-UHFFFAOYSA-N 321.358 1.446 0 40 DDAB COc1ccc(CNCC2(C(N)=O)CCOCC2)cc1Cl 86250217 LDPAHCBTSYMCKG-UHFFFAOYSA-N 312.797 1.720 0 40 DDAB Cn1cc(C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)cn1 195556326 IZPNVTXKVMNCQD-JMSVASOKSA-N 323.418 1.401 0 40 DDAB CN1CCC[C@H](CNS(=O)(=O)N(C)C)[C@H]1c1cccs1 195530983 RXXFJJSXECQMJH-YPMHNXCESA-N 317.480 1.527 0 40 DDAB Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(C)no3)C2=O)cc1 191622416 DJRRTQDWBZASHE-CQSZACIVSA-N 313.357 1.822 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)CSC)cc1C 77105372 PXJFJCFLEPRXKX-CYBMUJFWSA-N 319.448 1.396 0 40 DDAB CN(C)CCn1c2c(ccc1=O)CCN(Cc1ccoc1)CC2 96196643 NTGGRKKTVHACJH-UHFFFAOYSA-N 315.417 1.604 0 40 DDAB CS[C@@H]1CCC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 96409445 RYBVEBUPCSTGOK-VXGBXAGGSA-N 309.435 1.801 0 40 DDAB COC(=O)[C@@](C)(NC(=O)Cc1c[nH]c2ncccc12)C1CC1 96461968 ZXWXFNYUUAQKRQ-INIZCTEOSA-N 301.346 1.563 0 40 DDAB Cc1ccc(S(=O)(=O)c2cnc3sccn3c2=O)cc1 98212019 UGDOTDBTFYAWLV-UHFFFAOYSA-N 306.368 1.897 0 40 DDAB CN1CC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2F)C1=O 96415518 BKUVLHDYSQQTRO-KGYLQXTDSA-N 309.316 1.351 0 40 DDAB CSc1ccc([C@@H](C(=O)O)N2CCC(C(N)=O)CC2)cc1 95368440 YCGCVHJTVFGAQI-ZDUSSCGKSA-N 308.403 1.732 0 40 DDAB O=C(c1ccoc1)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 96063776 AMANYGZDOJZAIK-UONOGXRCSA-N 314.345 1.047 0 40 DDAB CCO[C@H]1CN(S(=O)(=O)c2cccnc2)[C@@H]2CCCO[C@H]12 96187019 URSYVDAKNRLWNN-RDBSUJKOSA-N 312.391 1.039 0 40 DDAB CCN(CC)[C@@H]1CN(C(=O)c2ccnnc2)[C@@H]2CCCO[C@H]12 96185780 LETZWZVGYIVHHM-KFWWJZLASA-N 304.394 1.190 0 40 DDAB CC(=O)N1CC[C@H](Cc2nccnc2C(=O)NC2CCCC2)C1 257200764 AEUMRHOOBCJZHY-CYBMUJFWSA-N 316.405 1.560 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)CN1CCCC1 257244964 INMVPDPTQMSALH-HNNXBMFYSA-N 303.406 1.264 0 40 DDAB Cc1cc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)on1 257327875 XDCVCODVMONFEP-LLVKDONJSA-N 304.306 1.001 0 40 DDAB CC(=O)N1CC2(CCN(Cc3[nH]cnc3C)CC2)C[C@@]1(C)CO 257211472 BYZUYVPFSWOQAK-INIZCTEOSA-N 320.437 1.304 0 40 DDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CC1CC1 257315779 VCSYKAQRCITHJT-INIZCTEOSA-N 304.394 1.066 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2noc3c2CCCC3)n1 257271084 MWTDMSMWEPFGOT-GFCCVEGCSA-N 316.361 1.799 0 40 DDAB COC(=O)[C@H](CO)NC(=O)c1nc(C)sc1-c1ccccc1 351844011 BASZJFJLRXVDQS-NSHDSACASA-N 320.370 1.382 0 40 DDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccco3)C2)cc1 96377793 BBMFASJVKBJLSC-UHFFFAOYSA-N 321.354 1.587 0 40 DDAB CCN(CC)CC[C@@H](CO)NC(=O)Nc1nc(C)c(C)s1 390835150 DRFFSWITFQEQNN-LBPRGKRZSA-N 314.455 1.974 0 40 DDAB CCCC(=O)N1CC2(C[C@H](Oc3cncc(C)n3)CCO2)C1 575403692 JYKNRMZCNSDICY-CYBMUJFWSA-N 305.378 1.724 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 575420136 GFYFITLBYSRQNS-GFCCVEGCSA-N 315.416 1.399 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2cccnc2C)C1 585279515 ZWDULZBURDYGCN-QGZVFWFLSA-N 319.405 1.537 0 40 DDAB O=C(Cn1cccn1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585275384 BAHZEOPJCGFKLS-HOTGVXAUSA-N 317.364 1.617 0 40 DDAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCO[C@](C)(C(N)=O)C2)CC1 585284720 VKSJXBICMQLHJM-RRQGHBQHSA-N 312.454 1.530 0 40 DDAB CC(=O)NCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(C)cc1 585273750 DTCDWXGEIMGLGQ-HOTGVXAUSA-N 304.390 1.026 0 40 DDAB COCCN1C[C@@]2(COCCN(Cc3ccccc3)C2)CC1=O 585104409 MHUWFMUWQGWUTJ-GOSISDBHSA-N 318.417 1.384 0 40 DDAB CC(=O)NC1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 50416513 RXUTZCMVKNEWKM-BZNIZROVSA-N 318.373 1.342 0 40 DDAB O=C(O)C1CC(NS(=O)(=O)Cc2ccc(F)cc2F)C1 871637310 AYSPGFXCHVJLQV-UHFFFAOYSA-N 305.302 1.247 0 40 DDAB CC1(COC(=O)/C=C/c2cn(Cc3ccccc3)nn2)COC1 66522528 ZXCCUIVGHLUHPW-BQYQJAHWSA-N 313.357 1.919 0 40 DDAB CCC(=O)NCC(=O)NCCOc1cccc2c1OC(C)(C)C2 58231116 ZYHGRYKMLBPWNT-UHFFFAOYSA-N 320.389 1.421 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1(C)C 58403963 NELQSQWTJFAOAC-OLZOCXBDSA-N 314.451 1.329 0 40 DDAB O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 85469445 MXODVHXVYFNMJA-JBLDHEPKSA-N 319.279 1.447 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2(O)CCSCC2)n1 95979185 IAFSJYCJLWGKAU-LLVKDONJSA-N 311.451 1.510 0 40 DDAB O=C(N[C@@H](C[C@@H]1CC[C@H]2OCO[C@@H]2C1)C(=O)O)c1ccccc1 5048300 RPQQUIOGQVDXKA-SPWCGHHHSA-N 319.357 1.801 0 40 DDAB O=C1CC[C@H](NC(=O)c2cccs2)[C@H](c2cccnc2)N1 12147988 LRSIHZQRXQGAOA-FZMZJTMJSA-N 301.371 1.893 0 40 DDAB NC(=O)C1CCN(C(=O)c2ncoc2-c2ccccc2F)CC1 12338299 OJHXKTBOQFBEHQ-UHFFFAOYSA-N 317.320 1.818 0 40 DDAB O=C1NC(=O)[C@@]2(CCN(c3nc4ccc(Cl)cc4s3)C2)N1 1888866570 PBPUVVNWIZZTFB-ZDUSSCGKSA-N 322.777 1.738 0 40 DDAB COCCc1nsc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)n1 1889077254 VNGASAKFUKIYKG-SNVBAGLBSA-N 312.439 1.468 0 40 DDAB Cc1cc(C)cc(OCC(=O)Nc2ncc(C(N)=O)s2)c1 14164033 DAYUCWDWNILURA-UHFFFAOYSA-N 305.359 1.876 0 40 DDAB COc1ccc(NC(=O)NCCC(=O)Nc2cnn(C)c2)cc1 25308414 SHPIKVPASPRECK-UHFFFAOYSA-N 317.349 1.579 0 40 DDAB Cc1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1-n1cnnn1 29524424 VPJXWHYAJNVDEJ-MRXNPFEDSA-N 321.340 1.913 0 40 DDAB CC(C)CC(=O)N1CCC(Nc2cc(N(C)C)ncn2)CC1 892036751 PUJYBXSLDNAWLB-UHFFFAOYSA-N 305.426 1.992 0 40 DDAB CNC(=O)CN1CCC[C@@](O)(COc2ccc(C)c(C)c2)C1 2037916029 IVGFYSNCQWQSMD-KRWDZBQOSA-N 306.406 1.255 0 40 DDAB COCc1ccc(C(=O)N2CC[C@@H]3CN(C)CCO[C@@H]3C2)cc1 1565548191 ZDOOZCCULSAAGU-IAGOWNOFSA-N 318.417 1.626 0 40 DDAB COCCN(CCOC)C(=O)C(=O)c1c(C)[nH]c2ccccc12 4163402 WDSGWZQVOFOTTC-UHFFFAOYSA-N 318.373 1.780 0 40 DDAB O=C(CS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 4496420 ITXQSSDVHSJKQF-UHFFFAOYSA-N 307.346 1.916 0 40 DDAB COc1coc(C(=O)NCc2ccc3c(c2)OCO3)cc1=O 16850746 MJXMTRULYQGABY-UHFFFAOYSA-N 303.270 1.307 0 40 DDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)C(C)(C)C)C1 2055771661 PIAGWJTVPUVISL-MRXNPFEDSA-N 306.410 1.335 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)Cc1cccc(OC)c1 225631692 GBSSZGLEPYKLBF-ZIAGYGMSSA-N 307.346 1.027 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)NCCOc1ccc(F)cc1 585149796 NVEXDBJDTZCNCX-KGLIPLIRSA-N 322.380 1.729 0 40 DDAB Cc1nnc(N2CC(C(=O)N3CCOCC3)C2)c2ccccc12 2298050212 HHHMMRZXRVTLHQ-UHFFFAOYSA-N 312.373 1.233 0 40 DDAB CC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F 79347 ODZKPFXBDSJFNH-WEDXCCLWSA-N 308.281 1.558 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)on1 40106144 IIYUKBSFDSBECM-JTQLQIEISA-N 300.380 1.345 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 40162623 XMXMOUZKMCJVNW-GFCCVEGCSA-N 311.359 1.169 0 40 DDAB CN(C)[C@@H](CNC(=O)c1ccn(C)c(=O)c1)c1ccsc1 40498966 QZMAIIZMAHKZTQ-ZDUSSCGKSA-N 305.403 1.480 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 40475408 XJVSMHGESMKVAP-HNNXBMFYSA-N 302.334 1.049 0 40 DDAB O=C(c1ccco1)N1CCN(c2nnnn2-c2ccccc2)CC1 89456 JSTKLFYDLILHQS-UHFFFAOYSA-N 324.344 1.218 0 40 DDAB CCNC(=O)CN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 80362450 HGVFMVDBIZLJAA-UHFFFAOYSA-N 315.373 1.787 0 40 DDAB C[C@@H]1NC(C(=O)NC2CCCCC2)=NN(c2ccccc2)C1=O 31544611 TXANMZYNYLBECR-LBPRGKRZSA-N 314.389 1.774 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2ccc(N(C)C)cc2C)c(=O)[nH]1 40535906 UCKWNXHLYLNLBB-UHFFFAOYSA-N 314.389 1.942 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1ccc(Cn2cccn2)cc1 40522175 LPTDHRQCLRHSMB-HNNXBMFYSA-N 312.373 1.330 0 40 DDAB C[C@H](CNC(=O)CCn1c(=O)oc2ccccc21)N1CCCC1 40522565 QDTDNUCPRYRHGV-CYBMUJFWSA-N 317.389 1.585 0 40 DDAB OCCN[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccccc1 1593689 CPENJQYCUCOIAE-IRXDYDNUSA-N 301.342 1.772 0 40 DDAB O=C(C[C@H](NCCO)C(=O)O)Nc1ccc(Cl)c(Cl)c1 4280195 LHZMPYVQJWFRQT-JTQLQIEISA-N 321.160 1.357 0 40 DDAB CC[C@H](C)NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 4999879 QDQAAOIYLUIXQO-NSHDSACASA-N 303.362 1.098 0 40 DDAB CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 7309412 UCJXITPFISTQEH-UHFFFAOYSA-N 310.419 1.274 0 40 DDAB NC(=O)CSc1nnc(NCCc2cccs2)s1 8852829 JVBGKUZVLLSVRG-UHFFFAOYSA-N 300.434 1.832 0 40 DDAB C[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1cccs1 32809236 VKCGQZQPUSRFKW-JTQLQIEISA-N 310.423 1.058 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N2CCc3sccc3C2)C[C@@H](C)O1 32895848 CCBPYMWZFUOBNX-GHMZBOCLSA-N 316.448 1.460 0 40 DDAB C[C@H](CCc1ccccc1)Nc1c(NCCN(C)C)c(=O)c1=O 101694085 RONCIJBENXBUKH-CYBMUJFWSA-N 315.417 1.689 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)o1 52527205 SOVCFPJKLMRZLE-LLVKDONJSA-N 302.330 1.943 0 40 DDAB O=C(NCc1cccc2c1OCO2)N1CCN(CC2CC2)CC1 52562200 FQYRWKKSKRNRGB-UHFFFAOYSA-N 317.389 1.653 0 40 DDAB COc1cc2[nH]c3c(N4CCOCC4)ncnc3c2cc1OC 486970 SFASOIGGXINFTL-UHFFFAOYSA-N 314.345 1.965 0 40 DDAB biogenic COc1ccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cn1 75111132 CWLXIIKZEFXGMZ-UHFFFAOYSA-N 316.361 1.395 0 40 DDAB CC(C)C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)O 9550236 OFPHYNUKDPHRPT-NSHDSACASA-N 313.375 1.319 0 40 DDAB NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 37116368 XAVIQSCMMNLIAP-UHFFFAOYSA-N 308.325 1.817 0 40 DDAB O=C([C@@H]1CCCN(c2nc3ccccc3o2)C1)N1CCOCC1 23042530 SJAZYCXSJLBAQV-CYBMUJFWSA-N 315.373 1.903 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ncccc2Cl)CC1)n1ccnc1 54100219 QPQLHTJLLDVRIG-LBPRGKRZSA-N 319.796 1.841 0 40 DDAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 100634698 UKKGEKYFVJZNFL-QDEZUTFSSA-N 305.374 1.663 0 40 DDAB O=C(CCOc1ccc(Cl)cc1)NCC(=O)N1CCCC1 46765660 SIXUIGRHORXEBX-UHFFFAOYSA-N 310.781 1.848 0 40 DDAB O=C(c1ccco1)N1CCN(C2[C@H]3CCC[C@H]2CNC3)CC1 100212070 LXPYTHANVWIFDN-KBPBESRZSA-N 303.406 1.426 0 40 DDAB CCCc1c(C(=O)N2CCC(O)CC2)[nH]c(C)c1C(=O)OC 71945775 JDOKGMYOEIIMIV-UHFFFAOYSA-N 308.378 1.659 0 40 DDAB C[C@@](NS(=O)(=O)c1ccc2c(c1)CCC2)(C(=O)O)C1CC1 37367437 QQVNNIPUMFVVAA-HNNXBMFYSA-N 309.387 1.707 0 40 DDAB Cc1nnc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)o1 71900664 AVLDVAHIUBDHCZ-ZDUSSCGKSA-N 304.325 1.754 0 40 DDAB COCCN1CCCC2(CCN(C(=O)C=C(C)C)CC2)C1=O 108527461 QUZXPYRJCICIPW-UHFFFAOYSA-N 308.422 1.830 0 40 DDAB Cc1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24689296 SOEDTTYAAFALGU-CQSZACIVSA-N 310.419 1.539 0 40 DDAB CCOC(=O)C1=NO[C@@H](Cc2cc(OC)c3c(c2)OCO3)C1 12412848 HUMMKHNPPXHGPO-JTQLQIEISA-N 307.302 1.674 0 40 DDAB CCNC(=O)c1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 47561822 FOAWPKPRGIMNSH-UHFFFAOYSA-N 315.377 1.834 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)o1 25274405 MRNWYCYGSJCRDO-UWVGGRQHSA-N 300.380 1.496 0 40 DDAB C[C@@H](CS(=O)(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 107528104 QGRNFNZWQHGILX-KBPBESRZSA-N 324.446 1.707 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CCO1 27577008 ZOQWQRGBFFEVDH-LLVKDONJSA-N 315.391 1.503 0 40 DDAB CC(C)=CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 58244950 PZRKLABVXKQRDP-UHFFFAOYSA-N 302.374 1.993 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c1 58277559 RSRQSUPGSSXXDJ-CYBMUJFWSA-N 310.419 1.484 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)o1 44918178 QSAJGTYWJANOID-UHFFFAOYSA-N 324.358 1.126 0 40 DDAB C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)[C@H]1CCCO1 27868324 DDRPTBRNWDOUSP-WCQYABFASA-N 304.346 1.668 0 40 DDAB CCOC(=O)N1CCN(CC(=O)Nc2ccccc2C)CC1 36383607 NEGAUFNYZOETKP-UHFFFAOYSA-N 305.378 1.708 0 40 DDAB Nc1cc(N)nc(SCC(=O)NCc2ccc(Cl)cc2)n1 3510254 QLFBPVZZWMZCDX-UHFFFAOYSA-N 323.809 1.703 0 40 DDAB COCCNC(=O)CN(C)Cc1cc(-c2cccs2)on1 16386592 PJVFBIKVCYZNPP-UHFFFAOYSA-N 309.391 1.598 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCC(NC(=O)c2ccc[nH]2)CC1 68819891 GJSCYJWUMYSVGX-GFCCVEGCSA-N 306.410 1.122 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H](C(C)C)N1CCCCC1)C2 69510818 HDQVJRHTXNQOQV-HNNXBMFYSA-N 305.426 1.439 0 40 DDAB COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@H]2C(N)=O)cc1 13638895 WNZGEMXWMYMOQV-UWVGGRQHSA-N 322.411 1.784 0 40 DDAB Cc1nsc(N2CCN(C(=O)c3ccccc3O)CC2)n1 81737809 GQXLQJVYTMVXKJ-UHFFFAOYSA-N 304.375 1.515 0 40 DDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(F)c1 6307979 QWHKZODAKWGNLH-ZDUSSCGKSA-N 324.377 1.808 0 40 DDAB C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc2c(c1)OCCO2 65440636 JFXSTAMKEJZNCI-ZDUSSCGKSA-N 319.405 1.866 0 40 DDAB CC(C)N(C)C[C@H]1CCCN(c2ncnc3c2cnn3C)C1 65434363 MSKNCAOOWUHDLH-CYBMUJFWSA-N 302.426 1.920 0 40 DDAB COc1cc(OC)c(CNC(=O)[C@@H](C)n2cccn2)c(OC)c1 65435014 DZOIOKKMJGRVNB-LLVKDONJSA-N 319.361 1.786 0 40 DDAB CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cc[nH]n1 65552405 DWLKRLVNOIIJQR-UHFFFAOYSA-N 301.350 1.580 0 40 DDAB Cc1ccc(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)c(F)c1 14167334 MTVKJHJUIWOKBF-CQSZACIVSA-N 307.369 1.625 0 40 DDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)CC)C2=O 4513330 DQXBBVLFNXSQCR-FZWSLVFFSA-N 309.410 1.792 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NC(=O)c2csc(C)n2)cc1 65643309 XKTBAWDXJXBRQF-UHFFFAOYSA-N 324.383 1.773 0 40 DDAB COc1cc(C(=O)N[C@H]2CN3CCC2CC3)cc(OC)c1OC 4698559 SCUJZAWBOCNXGC-ZDUSSCGKSA-N 320.389 1.536 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CSc2n[nH]c(N)n2)cc1C 6605756 WVDJESAXNRLAEE-SNVBAGLBSA-N 305.407 1.973 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69773861 ZGVOZLNBBQSHGM-CQSZACIVSA-N 320.437 1.270 0 40 DDAB COC(=O)c1cc(CNC(=O)c2cc(C)no2)ccc1OC 18069527 QLRMOSPGDHCCSG-UHFFFAOYSA-N 304.302 1.708 0 40 DDAB Cc1cccc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)n1 69947957 IPKYOFPUPHTVCG-OAHLLOKOSA-N 305.422 1.555 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1O 96007805 KQPDWSITNWLNLC-SCZZXKLOSA-N 324.324 1.492 0 40 DDAB CN(C)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 96007804 MEPBAUCNZLZMMP-SNVBAGLBSA-N 314.183 1.589 0 40 DDAB CCN(CC)c1ncc(CN2C[C@H]3[C@@H](C2)OCCN3C)s1 93641389 YNWUQKHNLUOQTK-UONOGXRCSA-N 310.467 1.504 0 40 DDAB CC(C)(CO)[C@@H](O)[C@H](Oc1ccc(Cl)cc1)n1cncn1 59689254 JLTVUDQTJZNYKA-STQMWFEESA-N 311.769 1.889 0 40 DDAB in-vitro CCc1cnc(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)s1 96446163 RAFLRMUGGAVWDE-JTQLQIEISA-N 310.423 1.503 0 40 DDAB CC[C@H]1CN(CCOc2ccccc2OC)CCN1C[C@@H](C)O 72279787 HJXWAKMBWYYQMN-CVEARBPZSA-N 322.449 1.851 0 40 DDAB COc1ccc(OC)c(NC(=O)CSc2nnc(N)n2C)c1 28047560 QDULKYAQWVQWGG-UHFFFAOYSA-N 323.378 1.145 0 40 DDAB c1ccc(-n2cncn2)c(CNC[C@H]2CN(C3CC3)CCO2)c1 71880879 YWLAXLVUWMXVEG-INIZCTEOSA-N 313.405 1.220 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@@H]1Cc2ccccc2O1 71825190 UCBQMRVJWNXOTG-HNNXBMFYSA-N 301.390 1.586 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@@H]2CCCC[C@@H]21 71808781 UJLWYWXQSQJRLU-UONOGXRCSA-N 313.357 1.707 0 40 DDAB CCO[C@H]1C[C@H](N(C)C(=O)c2nccnc2N)C12CCCC2 72293746 WBRGGJOMOYYHOU-RYUDHWBXSA-N 304.394 1.869 0 40 DDAB CCC(=O)NCCN(Cc1ccc(OC)cc1OC)C(=O)CC 72286093 RHGIMOYYHBWBSH-UHFFFAOYSA-N 322.405 1.969 0 40 DDAB C[C@@H]1Sc2ccccc2N(C(=O)Cn2ncn(C)c2=O)[C@@H]1C 97049419 MEDCMYAOWQBSSS-MNOVXSKESA-N 318.402 1.498 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@@H](O)c1ccc(F)cc1 97159921 GQFJSDHMPWDJNG-MRXNPFEDSA-N 307.369 1.455 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Nc1cnn(Cc2ccccc2)c1 97139982 BAHHTQLLFSRXIC-GFCCVEGCSA-N 315.377 1.578 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 95953990 POLBKVFIRSLKEV-QWRGUYRKSA-N 304.346 1.858 0 40 DDAB C[C@H]1CCN(CC(=O)Nc2nncs2)C[C@@H]1n1ccnc1 95981715 ANBDWCPULNXNDH-QWRGUYRKSA-N 306.395 1.256 0 40 DDAB O=C(NCCc1cccs1)N[C@H]1CCCS(=O)(=O)C1 95963185 UFRXWJVFVXLCEL-JTQLQIEISA-N 302.421 1.167 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 78881303 CNQSDKYYAJLVQL-LBPRGKRZSA-N 301.350 1.966 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n[nH]1 78900498 FGUMQEPPCNEVKX-JTQLQIEISA-N 316.365 1.149 0 40 DDAB CC1(C)C[C@H](NC(=O)CN2C(=O)CC3(CCCC3)C2=O)CCO1 79189533 ZUEGIJVTSORWCL-GFCCVEGCSA-N 322.405 1.380 0 40 DDAB biogenic C[C@H](N)C(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1 79404570 QQUPBILUOIIAON-AWEZNQCLSA-N 301.434 1.989 0 40 DDAB CCc1nnc(C(=O)NC2(C)CCC3(CC2)OCCO3)s1 1551740593 KFEFCHKIMMIDOB-UHFFFAOYSA-N 311.407 1.906 0 40 DDAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CC[C@@H](C2CC2)C1 534283752 FQXUWLRJJFBHJQ-GFCCVEGCSA-N 313.357 1.361 0 40 DDAB Cc1cc(=NC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c[nH]1 535035060 OSXUXXATYYOXBM-UHFFFAOYSA-N 304.371 1.776 0 40 DDAB CCCCn1c(=O)nc2n1C(=O)N(c1ccc(OC)cc1)C2 32073570 TYKPYSCGBVLYAI-UHFFFAOYSA-N 302.334 1.842 0 40 DDAB COCC(=O)N1[C@H]2CC[C@@H]1C[C@@]21CC(=O)c2ccccc2O1 72342950 PCJFIKYIBTUGTN-XQAQDONZSA-N 301.342 1.800 0 40 DDAB CCOCc1cccc(S(=O)(=O)NCCCn2cccn2)c1 71195457 PBOWZFJWUOAAQP-UHFFFAOYSA-N 323.418 1.788 0 40 DDAB CN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1 79412352 YPMCPCGCEKYSIB-UHFFFAOYSA-N 319.405 1.641 0 40 DDAB CO[C@H]1C(=O)N(c2cccc(Br)c2)[C@@H]1C(=O)O 218278208 URIMZIHSRBQCOS-DTWKUNHWSA-N 300.108 1.264 0 40 DDAB COC(=O)c1c(I)c(C2CC2)nn1C 72339385 DHDJZUCHPDYQLR-UHFFFAOYSA-N 306.103 1.689 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CCC(=O)O)C1CC1 314554881 LDQVFFKSQDOIAW-ZUZCIYMTSA-N 305.330 1.681 0 40 DDAB CO[C@@H](C)CCC(=O)Nc1cc(Br)c[nH]c1=O 181212310 XIRPPMPQQAYZSA-ZETCQYMHSA-N 303.156 1.891 0 40 DDAB O=C(NC[C@@H]1CNCCO1)NC[C@H]1CCCc2ccccc21 566551078 XQKXTKPDAHRAQH-CABCVRRESA-N 303.406 1.394 0 40 DDAB COC(=O)[C@H](NC(=O)c1ccc(F)cn1)c1ccc(O)cc1 192989197 PVKXSDVWXOYKFN-CYBMUJFWSA-N 304.277 1.570 0 40 DDAB NC(=O)c1cnc(NC[C@@H](O)COc2ccccc2)c(Cl)c1 44978711 XJZRUURLKBEYIH-LLVKDONJSA-N 321.764 1.686 0 40 DDAB Cn1cnc2cc(C(=O)N3CCNC[C@@H]3c3ccncc3)ccc21 573357253 PDFQHYMZTFWNQI-QGZVFWFLSA-N 321.384 1.755 0 40 DDAB CCCOC(=O)c1cc(-n2cnnc2)ccc1N1CCOCC1 226276380 JWSJAGAWFYOVIZ-UHFFFAOYSA-N 316.361 1.671 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccco2)cc1F 77112196 WRUWLSCQPKUDBR-CYBMUJFWSA-N 320.320 1.906 0 40 DDAB O=S(=O)(Cc1ccccc1)NC[C@@H](O)c1cccc(F)c1 96417489 SGPVWCURQGOEIV-OAHLLOKOSA-N 309.362 1.979 0 40 DDAB CC[C@H](C)C(=O)NCC(=O)Nc1ccccc1-n1ccnn1 97233162 ZMILSJMITRZVLO-NSHDSACASA-N 301.350 1.368 0 40 DDAB CC1=NC2(CCC(C(=O)NCc3ccco3)CC2)C(=O)N1C 96261367 GZXLSZBFPDLSCM-UHFFFAOYSA-N 303.362 1.715 0 40 DDAB CCc1cccc(NC(=O)C(=O)NCCCc2nc(C)no2)c1 96413577 KVYGBHUPZDWTIQ-UHFFFAOYSA-N 316.361 1.628 0 40 DDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1ncc(F)cn1)C2 96216523 TYBVHCXAUGRMID-RHSMWYFYSA-N 320.412 1.800 0 40 DDAB O=C1[C@H]2CN(Cc3nccs3)C[C@H]2CN1c1cncnc1 96053650 YUQHZYFYWLUGOV-JQWIXIFHSA-N 301.375 1.028 0 40 DDAB Cn1cc(CCCCNC(=O)N2CCOC[C@@H]2C2CC2)cn1 96485515 YWAQTPLNQLAUMV-OAHLLOKOSA-N 306.410 1.563 0 40 DDAB C[C@@H]1CN(C(=O)CN2CCCCC2=O)[C@@H](c2ccccc2)CO1 96433375 YHWYCRFDFKIGBH-GDBMZVCRSA-N 316.401 1.988 0 40 DDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1)N1CCCC1 96038913 DEIQGKZNQSIHGM-BRWVUGGUSA-N 315.417 1.683 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cccnc2)n1 257227920 FROIDLOFMHKJQD-CQSZACIVSA-N 300.362 1.646 0 40 DDAB Cc1cc(-c2cc[nH]n2)nc([C@H]2CCCN2S(C)(=O)=O)n1 257285019 PFGWHFGPJIZBKR-GFCCVEGCSA-N 307.379 1.272 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(c3cc(C)ncn3)CC2)C1 257242403 ICHUYMKWNCUAMT-CQSZACIVSA-N 304.394 1.439 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1cccs1 257301699 RZMQVLDCZZPORW-JTQLQIEISA-N 313.404 1.542 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)n1 257338096 YVUNNXPRKAHDCT-AWEZNQCLSA-N 313.405 1.857 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cn[nH]c3)n2)C1 257209698 BROAVWJCMOSSAN-NSHDSACASA-N 321.406 1.081 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cncnc1 257277845 NZSSGICROFJGJB-LBPRGKRZSA-N 321.406 1.330 0 40 DDAB Cc1nonc1CC(=O)NCc1cnc([C@H]2CCCCO2)nc1 257224454 FBXGTCOKMAWHMT-CYBMUJFWSA-N 317.349 1.269 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1 257243059 IFHLSHLCNZOTBV-MRXNPFEDSA-N 314.320 1.233 0 40 DDAB CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@@H](C(=O)N(C)C)C1 257281788 OQZZWIAIVJHVLT-OAHLLOKOSA-N 321.396 1.194 0 40 DDAB CCc1noc(CCC(=O)N2CCNC[C@@H]2c2ccccc2)n1 257264166 LTEJESMWKYLYBT-CQSZACIVSA-N 314.389 1.738 0 40 DDAB C[C@@]1(c2ccc(C(=O)N3CCC=C(F)C3)cc2)NC(=O)NC1=O 273023206 CLACIFJQUWIACZ-INIZCTEOSA-N 317.320 1.441 0 40 DDAB COCC(=O)N1CCC[C@@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 585178826 GOJPVSKGTDIMKB-GFCCVEGCSA-N 315.377 1.528 0 40 DDAB C/C=C/C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(OC)c3)CO2)C1 585287735 DBDNKXLPMSNNJO-LQJCCVPNSA-N 317.385 1.717 0 40 DDAB C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1nnc(O)n1C 585140410 DCMFZOOXVANASS-SCSAIBSYSA-N 318.230 1.568 0 40 DDAB C=CC(=O)N1CC[C@@H](c2cc(Nc3nncs3)nc(C)n2)C1 585291860 UMFSOSRCWMHELR-SNVBAGLBSA-N 316.390 1.882 0 40 DDAB COc1ccccc1CNC(=O)NCC(=O)N1CCCCC1 43002360 BSWTWWUGAHAXSU-UHFFFAOYSA-N 305.378 1.507 0 40 DDAB Cc1cccc(C)c1OC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 56016921 PIBTTYCDDGUXBO-ZDUSSCGKSA-N 319.405 1.730 0 40 DDAB Cc1ccccc1OC[C@@H](C)NC(=O)N[C@H](C)c1nncn1C 56861578 MJKWPXCOJZKSBR-CHWSQXEVSA-N 317.393 1.951 0 40 DDAB CC(C)Sc1ccc(N2CCN(S(C)(=O)=O)CC2)nn1 65589959 PXMWWWCXMBFHNH-UHFFFAOYSA-N 316.452 1.059 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)Cc1ccccc1Cl 69706295 NQUKIKARICQVQO-JTQLQIEISA-N 314.798 1.440 0 40 DDAB O=C(NC1CC1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834981 RWWTZJJGUHOGPI-JKSUJKDBSA-N 301.390 1.444 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(C3CCOCC3)CCO2)cc1 1615142616 PXRUCVRKOARPOY-GOSISDBHSA-N 305.418 1.780 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735858 HBEGJZPQDHPOOG-SECBINFHSA-N 310.297 1.513 0 40 DDAB CN1OC2(CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1=O 1549163153 ZKIKNYSBDHGNIF-UHFFFAOYSA-N 318.373 1.586 0 40 DDAB Cc1ccc(NC(=O)c2cnc3nc(C(=O)O)nn3c2C)cc1 17032235 LDLBXVGZCCXVIU-UHFFFAOYSA-N 311.301 1.692 0 40 DDAB C[C@H](C(=O)O)N1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19080792 CRYKDOQTZUICQO-GFCCVEGCSA-N 318.373 1.459 0 40 DDAB CCN(CCc1nccs1)S(=O)(=O)C[C@H]1CCCCO1 155375188 FEGQZWNTPRZZIE-GFCCVEGCSA-N 318.464 1.906 0 40 DDAB C/C=C/O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 5566345 RSCYQPRGEVQBEZ-NVCVDMPMSA-N 300.351 1.933 0 40 DDAB Cn1cc(C(=O)NCC2CCN(C3CCSCC3)CC2)nn1 252536222 HWXOGTNHQKXZOI-UHFFFAOYSA-N 323.466 1.153 0 40 DDAB CC(C)N(Cc1ccccc1)Cc1cc(=O)n(C)c(=O)n1C 11036805 GVGALUFCIZCLNA-UHFFFAOYSA-N 301.390 1.495 0 40 DDAB Cn1ccc2c(N[C@@H]3CCN(C4CCOCC4)C3)ncnc21 1889077140 WYUDUXWQEICEGS-GFCCVEGCSA-N 301.394 1.634 0 40 DDAB Cn1c(N2CCO[C@H](C(=O)N3CCCC3)C2)nc2ccccc21 1889130350 ICSUEDLRLQDFRD-HNNXBMFYSA-N 314.389 1.401 0 40 DDAB Cc1ccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1 1889139098 IAKNFIPQPFFITC-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)NC1CCCC1 31042183 ZFXLNTWDRIMORU-UHFFFAOYSA-N 304.394 1.660 0 40 DDAB COc1ccc(CC2C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1 1438517 QOPFIZUWTKMKDA-UHFFFAOYSA-N 322.386 1.078 0 40 DDAB COCCn1cc(NC(=O)NCCNC(C)=O)c2ccccc21 5266448 IUHMORUMHPCPJY-UHFFFAOYSA-N 318.377 1.545 0 40 DDAB C[C@@H](C(=O)O)N1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19080794 CRYKDOQTZUICQO-LBPRGKRZSA-N 318.373 1.459 0 40 DDAB NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 26421654 OGPDGLLJCYSPIF-UHFFFAOYSA-N 303.753 1.253 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 100173538 CPXMIERIFISBPP-AYMQEEERSA-N 323.389 1.147 0 40 DDAB Cc1nnc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)s1 2086889256 WLNHYJLPHYLEAP-SNVBAGLBSA-N 316.452 1.239 0 40 DDAB CCOC(=O)[C@]1(O)CC(C)=NN1C(=O)c1cccc(Cl)c1 33264 YHBLOJHWHSNGKL-CQSZACIVSA-N 310.737 1.814 0 40 DDAB COCCn1cc(NC(=O)[C@H]2COc3ccccc3O2)cn1 40134618 YBSSSAOIZIRACN-CQSZACIVSA-N 303.318 1.308 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC(C)C)CC2)c1C 40481448 SHOXMEPCHCVVSZ-UHFFFAOYSA-N 321.421 1.832 0 40 DDAB O=C(NCCNC(=O)c1ccco1)NCCOc1ccccc1 45662850 WEIIRSPGWZVUFO-UHFFFAOYSA-N 317.345 1.388 0 40 DDAB CC(C)(C)c1noc(COc2ccc(-n3cnnn3)cc2)n1 40538708 SLSKFCQWALKQDQ-UHFFFAOYSA-N 300.322 1.922 0 40 DDAB O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CCCC1 40549165 TVHGUPDOXBAXEN-UHFFFAOYSA-N 307.398 1.013 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cccn1 40522843 CPRFPSFIXBAHTF-AWEZNQCLSA-N 315.373 1.962 0 40 DDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1nc(C)no1 40528618 BVSREYZPXLTOCU-UHFFFAOYSA-N 324.358 1.704 0 40 DDAB Cc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1C 11535511 WFHCUZQSXVMBMS-UHFFFAOYSA-N 304.375 1.700 0 40 DDAB O=C1N[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C(=O)N1c1ccc(F)cc1 4260780 PLJOVUDBMRDSLE-OLZOCXBDSA-N 317.320 1.261 0 40 DDAB biogenic,in-vitro CC(C)(C)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940616 PTNUUTVFSRLCCR-UHFFFAOYSA-N 310.375 1.136 0 40 DDAB O=S(=O)(NCCn1ccnc1)c1cccc(Cl)c1F 32405884 JKFQTYLKOCJEQU-UHFFFAOYSA-N 303.746 1.654 0 40 DDAB NC(=O)c1oc2ccccc2c1NC(=O)CN1CCCCC1 380743 AIFPBXPFZZSEOC-UHFFFAOYSA-N 301.346 1.956 0 40 DDAB CN(Cc1nnc(C2CC2)o1)[C@H]1CCCN(c2cccnn2)C1 69950654 YKSLXOFNRGZIAB-ZDUSSCGKSA-N 314.393 1.838 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)CC(=O)[C@@H]2CCOC2=O)c1 102981040 DNUROYBYTJZZAQ-NSHDSACASA-N 303.314 1.333 0 40 DDAB c1cnn(-c2ccc(CN3CCO[C@H](Cn4cncn4)C3)cc2)c1 69976354 QYDUGWWQUSWKHK-KRWDZBQOSA-N 324.388 1.365 0 40 DDAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1nccs1 2625012 WTTGEGDQNRPVFP-UHFFFAOYSA-N 302.315 1.197 0 40 DDAB CC(C)NC(=O)[C@H]1CN(Cc2cncc(Cl)c2)[C@@H]2CCO[C@H]12 108530508 MUPLRPMSSWNNEC-RRFJBIMHSA-N 323.824 1.849 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2O1)c1nncn1C 46875647 SRCFRQUHQZAQMC-ZYHUDNBSSA-N 301.350 1.179 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nccs1 103030932 LRILMDAPFAGEGC-AOOOYVTPSA-N 307.375 1.647 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)C[C@H]2CCCO2)ccn1 47014253 YGIGQTIEGLGMKL-CQSZACIVSA-N 300.362 1.761 0 40 DDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccccc1Cl 22592441 LMFKIVHBNCHPQQ-LBPRGKRZSA-N 311.769 1.027 0 40 DDAB CCn1cnnc1CNC(=O)c1cc(Cl)c(Cl)n1C 47200532 YFJVFMKFOAWTNW-UHFFFAOYSA-N 302.165 1.873 0 40 DDAB CN(C)[C@H](CNC(=O)NCCc1cnn(C)c1)c1cccs1 43143842 RNBGIIJGGXMITC-CYBMUJFWSA-N 321.450 1.626 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)NCCc1cn2ccccc2n1 55234538 GKHZOAYWZLNBDT-CQSZACIVSA-N 300.362 1.004 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 61716282 UALQGSUYKUKMDI-DYVFJYSZSA-N 318.373 1.455 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1 43700471 SUWSYVBCCCQZPB-SNVBAGLBSA-N 303.236 1.631 0 40 DDAB CCn1nnn(CN2CCN(c3ccc(F)cc3)CC2)c1=S 12534600 IGDMWZWUGILDQH-UHFFFAOYSA-N 322.413 1.748 0 40 DDAB CC(C)(CNC(=O)C1CCCCC1)N1CCS(=O)CC1 71905628 QTNODNBTIURDEP-UHFFFAOYSA-N 300.468 1.526 0 40 DDAB Cn1nnnc1S[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 71916016 KXUNUUQNSKRJRL-SNVBAGLBSA-N 309.782 1.761 0 40 DDAB Cc1nc(CN2CCN(C(=O)CC3=CCCCC3)CC2)no1 71900245 YCRMKBWIRKNFQR-UHFFFAOYSA-N 304.394 1.913 0 40 DDAB COc1ccc(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2)cn1 57985490 HLAREIIPYCSAKR-JTQLQIEISA-N 318.299 1.848 0 40 DDAB CNC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1 58158406 XKBPZPXJEATGAO-UHFFFAOYSA-N 321.283 1.125 0 40 DDAB COc1ccc(Cl)cc1CN(C)C(=O)c1nccnc1N 10140283 SHENQXDBUHAMQS-UHFFFAOYSA-N 306.753 1.993 0 40 DDAB O=C(NCc1ccc(F)c(Cn2ccnc2)c1)N1CCOCC1 44970196 KLBIMRMUQQMHOK-UHFFFAOYSA-N 318.352 1.612 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)[C@H]1CCCN(C(N)=O)C1 44952782 GODVZYNBWOFDFK-ZDUSSCGKSA-N 320.393 1.276 0 40 DDAB O=C(CN1CCN(Cc2cscn2)CC1)NC1CCCCC1 58341233 IIZXRRKJNOACRJ-UHFFFAOYSA-N 322.478 1.710 0 40 DDAB COc1cccc(/C=C/C(=O)OCC(=O)N2CCCC2)c1OC 3263493 RQOFTDRERZDLOE-CMDGGOBGSA-N 319.357 1.883 0 40 DDAB COCCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 27932476 NMEPBNAXUOXQIX-CYBMUJFWSA-N 315.391 1.169 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@H]1c1nc2ccccc2[nH]1 48130427 NUQJCGRADOXZTE-KBPBESRZSA-N 301.346 1.642 0 40 DDAB CN1CCC(N(C)C(=O)c2cc(=O)c3ccccc3o2)CC1 3310138 PUUKJMCLIVFFIY-UHFFFAOYSA-N 300.358 1.959 0 40 DDAB COCCN1CCCN(C(=O)Cc2noc3ccccc23)CC1 48251587 MZCPBHBCKHJWCD-UHFFFAOYSA-N 317.389 1.551 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1nncn1C1CC1 48354860 BNTMBZVASBZJSC-VIFPVBQESA-N 314.411 1.080 0 40 DDAB Cc1nc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)cs1 48303182 XIWMYRAGAFXCIC-MBVDDHJVSA-N 323.462 1.938 0 40 DDAB NC(=O)NCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 3404688 VGPJCERLAGOKFL-UHFFFAOYSA-N 305.256 1.972 0 40 DDAB CCOc1ncccc1C(=O)NCc1ccc(NC(N)=O)cc1 12916055 WRLWTDYGDWVPSD-UHFFFAOYSA-N 314.345 1.901 0 40 DDAB COc1ccc(CCN[C@H](C)CS(C)(=O)=O)cc1OC 81898649 UWZVRZPSTNVULL-LLVKDONJSA-N 301.408 1.269 0 40 DDAB COC(=O)c1c(NC(=O)Cn2cnnn2)sc2c1CCCC2 69351158 YPWPLMBWOFEUKH-UHFFFAOYSA-N 321.362 1.039 0 40 DDAB CN(C[C@@H]1OCCc2ccccc21)C(=O)[C@H]1CCC(=O)NC1 69348991 HRFXFDBVFWTJRV-ZFWWWQNUSA-N 302.374 1.285 0 40 DDAB COC(=O)c1cc(NC(=O)[C@@H]2CCOC2)cc(C(=O)OC)c1 69313739 QBUWSBQYWHPRRO-SECBINFHSA-N 307.302 1.235 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc2[nH]ccc2c1 13688241 JVNCYFLROIATLR-UHFFFAOYSA-N 311.345 1.509 0 40 DDAB CCCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)n[nH]c1=O 5015888 CXUWHHJFHVOHIL-LLVKDONJSA-N 312.439 1.721 0 40 DDAB O=C1CS[C@]2(CCS(=O)(=O)C2)N1CCc1ccccc1 5183769 PBIPJUBQHDHJPW-AWEZNQCLSA-N 311.428 1.319 0 40 DDAB CC[C@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1 69451203 LUFHDEVSMKSMNK-AWEZNQCLSA-N 315.377 1.588 0 40 DDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(OC(F)F)c1 6485862 PRAUHYOFZSYVTH-ZETCQYMHSA-N 316.260 1.289 0 40 DDAB Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)N(C)C 6449923 LYVFPXSYHYLBIP-UHFFFAOYSA-N 319.386 1.893 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccco1)C2=O 4515400 CQUPETQNKGUTJF-MEDUHNTESA-N 319.361 1.397 0 40 DDAB C[C@@H](O)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5426503 LMFZAWXLAJFKLM-MEBBXXQBSA-N 304.346 1.441 0 40 DDAB O=c1[nH]c(Cn2c(-c3ccccn3)noc2=O)nc2ccccc12 69534078 TWHXZQIQMFSAFQ-UHFFFAOYSA-N 321.296 1.183 0 40 DDAB COCCN(C)CCNC(=O)CCOc1ccccc1Cl 69531596 VAMRHTNDJFMFEW-UHFFFAOYSA-N 314.813 1.803 0 40 DDAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(-n2cncn2)cc1 14701471 YVBWVJCXCVKVJI-LLVKDONJSA-N 309.329 1.447 0 40 DDAB O[C@@H](COCc1ccccc1)Cn1nnnc1-c1ccccn1 66738074 ZIHWYQWVJLJHJR-CQSZACIVSA-N 311.345 1.313 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)N2CCNC(=O)C2)cc1 5938005 GQPQOSDDCUAAFE-UHFFFAOYSA-N 304.346 1.007 0 40 DDAB C[C@H](CC(=O)Nc1cc[nH]n1)S(=O)(=O)c1ccc(F)cc1 69893898 FDNNJNOWLWBPGU-SECBINFHSA-N 311.338 1.740 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 7400755 WTEYOFMJUQDCCQ-HNNXBMFYSA-N 321.764 1.999 0 40 DDAB CC(C)(C)c1ccc(N2CC(=O)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8974590 QUSFHHJBYKCMFV-KBPBESRZSA-N 322.430 1.086 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1csc(C)n1)C2 306128332 GXNXOCBJARGPJV-GFCCVEGCSA-N 309.435 1.634 0 40 DDAB NC(=O)NC[C@@H]1CCCCN1Cc1nc(-c2ccco2)no1 71184890 QJZYLKOYRXNFNT-JTQLQIEISA-N 305.338 1.352 0 40 DDAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)NC(=O)NCC)n1 9349507 RYOTUAKBVGFGNE-MRVPVSSYSA-N 312.395 1.049 0 40 DDAB Cc1cc(NC(=O)[C@@H]2COCCO2)ncc1Br 94063993 YINTYJLHCUFYNM-VIFPVBQESA-N 301.140 1.506 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)Nc2nncs2)n1 71876093 ZTDXKQXQWJKOBZ-GFCCVEGCSA-N 320.422 1.455 0 40 DDAB C[C@@H]1CN(Cc2ccc(NS(C)(=O)=O)cc2)CCS1 71897082 JSYOLJIDWBLXDQ-LLVKDONJSA-N 300.449 1.995 0 40 DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](CO)C1 83753403 AXRHHFOYPZKPOA-DZDAQESYSA-N 316.467 1.480 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)Cn1cccn1 89904379 QZUPCCDAGZZZLR-GXTWGEPZSA-N 318.377 1.313 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCc2c(nnn2C)C1 72306434 UPRCDZLOWYMWQJ-UHFFFAOYSA-N 316.361 1.178 0 40 DDAB O=C(CCc1ccccc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 84528365 PBOJHLIWHLCOQQ-IAGOWNOFSA-N 302.418 1.677 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN(CCc3ccncc3)C2)C1=O 84597377 JNATVIDNEJEPNN-MRXNPFEDSA-N 302.378 1.029 0 40 DDAB C[C@@H]1CN(C(=O)c2cscn2)CCN1C(=O)c1cscn1 76089141 GOEXPXZSSUIAKK-SECBINFHSA-N 322.415 1.586 0 40 DDAB COCc1ccc(CNC(=O)c2c(C)nn(C)c2OC)cc1F 95395701 OCAJUSITIDLWNM-UHFFFAOYSA-N 321.352 1.953 0 40 DDAB CCCc1nnc(CN[C@@](C)(COC)CC(=O)OC)s1 95448121 WUQMJCQZZZXXAG-CYBMUJFWSA-N 301.412 1.548 0 40 DDAB Cn1c(N)nnc1S[C@@H]1CCCN(c2ccccc2F)C1=O 95448488 DQZZHIBSAZZXRT-LLVKDONJSA-N 321.381 1.824 0 40 DDAB O=S(=O)(Nc1ccnn1Cc1ccccn1)c1cccnc1 95447405 BWJWEXQADLOPHW-UHFFFAOYSA-N 315.358 1.522 0 40 DDAB Cc1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)cc1C(N)=O 95454960 QRWCHPRMRNYFDH-ZDUSSCGKSA-N 305.378 1.861 0 40 DDAB C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H]1CCCOC1 95423151 MYLWTCFZEUWZEJ-SJORKVTESA-N 303.450 1.966 0 40 DDAB CC1(C)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)no2)C1=O 78565298 JMUQCKMYYBVVPI-UHFFFAOYSA-N 308.338 1.241 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@H](c2nc(C(C)C)n[nH]2)C1 78888903 MZJDYIKDETYMME-NSHDSACASA-N 319.365 1.747 0 40 DDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1C2CC3CC(C2)CC1C3 95997745 UWAGNSQIJFDKCI-QKIZGWMWSA-N 320.433 1.203 0 40 DDAB Cn1cc(C(=O)C[C@@H]2CCCN2Cc2nnc(C3CC3)o2)cn1 95977662 IYEXXJHMQARMDD-ZDUSSCGKSA-N 315.377 1.918 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H](C)CCc1cccn1C 74744835 VLJOCMLPPCYFFP-UKRRQHHQSA-N 320.437 1.512 0 40 DDAB Cc1[nH]ccc1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 89536814 KCUISTNMSZVIFQ-UHFFFAOYSA-N 311.407 1.010 0 40 DDAB Cc1oc(-c2ccco2)nc1Cn1cnc2c(cnn2C)c1=O 89548203 JDKDISHHNGIODL-UHFFFAOYSA-N 311.301 1.735 0 40 DDAB Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@@H]2CO)nn1 179762628 RMUOXXOQSXKVGB-GFCCVEGCSA-N 304.325 1.312 0 40 DDAB O=S(=O)(c1cncc(Br)c1)N1CCCOCC1 59974698 VNBHGYZNCJKWMT-UHFFFAOYSA-N 321.196 1.255 0 40 DDAB Cc1c([C@H](C)NCC(C)(C)C(N)=O)cnn1-c1ccccn1 183637428 NEZKOGJRSAPJKV-NSHDSACASA-N 301.394 1.738 0 40 DDAB CN(C)c1ccn2nc3c(c2n1)CN(Cc1cccnc1)CC3 306133425 MKTFYZZZBZRVQF-UHFFFAOYSA-N 308.389 1.749 0 40 DDAB CN(C)C(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 306127225 FSFLQHXDKZGJGP-CYBMUJFWSA-N 307.419 1.840 0 40 DDAB O=C(NCCN1CCOCC1)NCC1(c2ccccc2F)CC1 77340343 UTHCOUUAEIZORJ-UHFFFAOYSA-N 321.396 1.489 0 40 DDAB C[C@H](N)C(=O)N1CC[C@H](CN(C)C(=O)OCc2ccccc2)C1 79412753 AXTAPLXZZHJEDP-DZGCQCFKSA-N 319.405 1.451 0 40 DDAB CCNc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1C(=O)O 217704483 HGNZTQNINOUKRZ-VIFPVBQESA-N 300.380 1.893 0 40 DDAB CCOC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)[nH]c1=O 72403805 DRJHWAPRMXNNAK-LBPRGKRZSA-N 302.330 1.869 0 40 DDAB Cc1ccc(C[C@@H](C)C(=O)N(C)C[C@H](C)c2nnn[nH]2)cc1 124431244 TUUDTVLGRGJYCL-OLZOCXBDSA-N 301.394 1.949 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)N2CCO[C@H](C)C2)cc1 78925783 IAMOGTSSAOSNOY-CYBMUJFWSA-N 305.378 1.155 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(COC)C(=O)O 218521458 MZCUCTNIHYFXLW-MBNYWOFBSA-N 316.350 1.444 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 71195864 GNUFFVCAOMQKFA-UKMLZYKCSA-N 315.373 1.192 0 40 DDAB CC(=O)NS(=O)(=O)N1CCc2c1cccc2C(F)(F)F 133772473 SYQFQIYOXQYWBF-UHFFFAOYSA-N 308.281 1.449 0 40 DDAB O=C(NC[C@H]1CCC[C@@H](CO)C1)c1nnc2ccccc2n1 562211285 ACCBPVGEPJPROM-NWDGAFQWSA-N 300.362 1.553 0 40 DDAB C[S@](=O)c1nncn1Cc1coc(-c2ccc(F)c(F)c2)n1 78995942 UUMPNAUKHJGSDY-JOCHJYFZSA-N 324.312 1.997 0 40 DDAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC3CC3)ccc21 223939633 OKQADVJQFSGUIX-UHFFFAOYSA-N 306.387 1.426 0 40 DDAB O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CCCOC1 81356570 YYBFJKMKYAHMAN-INIZCTEOSA-N 317.433 1.494 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 43979547 GTEOYMXEJWEXMR-BQYQJAHWSA-N 322.430 1.488 0 40 DDAB COC(=O)c1sccc1CN(C)Cc1nnc2n1CCC2 88546773 ZOSPXXXLLPOTCZ-UHFFFAOYSA-N 306.391 1.704 0 40 DDAB O=C(O)[C@H]1CCCN(c2nccn(-c3cccc(F)c3)c2=O)C1 96530525 JGUSREGSUJRNSR-NSHDSACASA-N 317.320 1.673 0 40 DDAB Cn1cc(CN2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 96159505 XHQFTZDVVXFBQN-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccncc1 96060561 FTRPQXLLEGYUNO-INIZCTEOSA-N 313.405 1.829 0 40 DDAB c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3c2ncccn2)nc1 96041818 LHSZKZMIETZSDP-ARFHVFGLSA-N 312.373 1.825 0 40 DDAB COc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1 96159237 VGFAIWKMXHLLJR-UHFFFAOYSA-N 318.421 1.566 0 40 DDAB CC[C@H](C(=O)NC[C@H](O)c1ccccc1F)N1CCCC1=O 96445848 WDRYRTSOHFZMFD-KGLIPLIRSA-N 308.353 1.376 0 40 DDAB CCn1nccc1C(=O)N[C@H]1CCN(Cc2c(C)noc2C)C1 98211983 OLDXPWXTSAAOLJ-ZDUSSCGKSA-N 317.393 1.512 0 40 DDAB CC(C)=CCN1CCN(S(=O)(=O)CCOC(C)C)CC1 96447086 KMLGKOOVDDXICJ-UHFFFAOYSA-N 304.456 1.325 0 40 DDAB CCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccc(C)c1 96183792 JSTJDQBRMNAMCU-UONOGXRCSA-N 308.403 1.379 0 40 DDAB c1ccc(CO[C@@H]2CN(Cc3cccnc3)[C@@H]3COC[C@H]23)nc1 96055897 ZDZPIHYIAMUKMF-RCCFBDPRSA-N 311.385 1.893 0 40 DDAB CC(C)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 247981129 HGIAMHHUXCNXLS-CYBMUJFWSA-N 313.405 1.993 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@](O)(CN3CCCC3)C2)cc1 257327286 XAUMDSNYSPBIMQ-GOSISDBHSA-N 318.417 1.297 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cccc(O)n3)C2)n1 257221324 DOLYVDXRLZVDFO-LBPRGKRZSA-N 300.362 1.849 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)c2scnc2C)O1 252510127 ZBWJCKZJDVXFDK-HKWIRBFKSA-N 324.402 1.775 0 40 DDAB CCN(Cc1cscn1)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257207033 BGBLCKPSLGJYAP-AWEZNQCLSA-N 320.422 1.313 0 40 DDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2nc(C)c[nH]2)C1 257293069 QNZSFULMOOBMMK-GFCCVEGCSA-N 304.350 1.791 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 252476846 CJHDONHIMNPFJY-PEBLQZBPSA-N 314.451 1.640 0 40 DDAB O=C(NCc1cnn(-c2ccccc2C(=O)O)c1)c1cnccn1 257213002 CFUDHFHERRHUHJ-UHFFFAOYSA-N 323.312 1.291 0 40 DDAB CCOC(=O)/C(C(=O)NC)=C1\NCc2ccc(Cl)cc2N1 255190205 VPVKUXYUXYFEIP-VAWYXSNFSA-N 309.753 1.376 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCC(=O)NC1=O 89755964 RLAVVIQTSYDKLO-KCJUWKMLSA-N 310.737 1.029 0 40 DDAB O=C(c1ncccn1)N1CC[C@@H](Oc2ccncc2Cl)C1 575608495 YQHZWFAFJXMGDO-SNVBAGLBSA-N 304.737 1.819 0 40 DDAB CO[C@@H](CNS(=O)(=O)c1csnc1C(=O)O)C(C)(C)C 570959501 FJWUBKGYMBRXMG-QMMMGPOBSA-N 322.408 1.181 0 40 DDAB O=C(N[C@@H]1C=CS(=O)(=O)C1)Oc1ccc(-n2cccc2)cc1 575423950 HOEWQALOHLZUFD-GFCCVEGCSA-N 318.354 1.876 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@@H](Oc2ccncn2)C1 575604822 GABUWFVXTNFVDM-GFCCVEGCSA-N 314.345 1.564 0 40 DDAB CO[C@H]1CSC2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 575405682 ZHKGSODBAWHVTP-TZMCWYRMSA-N 305.399 1.723 0 40 DDAB COc1nc(CNC(=O)c2ccccc2Cl)nc(N(C)C)n1 575603113 ADVGWPASCPTNTR-UHFFFAOYSA-N 321.768 1.530 0 40 DDAB CC1CC(C(=O)N2C[C@@H]3C[C@@H](CC(=O)NC4CC4)O[C@@H]3C2)C1 585109362 LYUMIKSGWOKOJI-RPVHRHSKSA-N 306.406 1.317 0 40 DDAB COc1ccsc1S(=O)(=O)N(C)Cc1cnn(C)c1 89755729 OYDRTCUYAYZVDD-UHFFFAOYSA-N 301.393 1.311 0 40 DDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 89819080 VLQNVYAGJQDCLW-JKSUJKDBSA-N 319.449 1.332 0 40 DDAB CC(C)CSC(SCC(C)C)[C@H](O)[C@@H](O)[C@H](O)CO 5066658 VQNFWPLZQHASHJ-GRYCIOLGSA-N 312.497 1.166 0 40 DDAB O=C(CN1C(=O)N2CCN=C2c2ccccc21)NC1CCCC1 12182997 ZPIDYYMPISUWID-UHFFFAOYSA-N 312.373 1.748 0 40 DDAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C 12602262 VEEJNNKZXWDXTO-HRCADAONSA-N 310.486 1.746 0 40 DDAB biogenic,in-vitro CC(=O)N[C@H](C)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 12791492 MCHINBSAZPVGNH-YGRLFVJLSA-N 304.346 1.074 0 40 DDAB CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 19589994 YYAFRCSKJGUJBB-UHFFFAOYSA-N 317.311 1.771 0 40 DDAB COCC(=O)N1CCC(COc2ccc3nc(C)cn3n2)CC1 1888853293 RSWRWCYWZQBSSR-UHFFFAOYSA-N 318.377 1.302 0 40 DDAB O=C1CN(C2CN(c3nc4ccc(Cl)cc4s3)C2)CCN1 1889108042 MBVQBDKRVZKPNS-UHFFFAOYSA-N 322.821 1.570 0 40 DDAB COc1cccc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c1 1889131812 NJVLEZXRAOTKEH-CQSZACIVSA-N 324.446 1.741 0 40 DDAB Cc1cc(OCC2CCN(CCn3nccn3)CC2)ccn1 1775996094 UTGNMSCDSDDVDD-UHFFFAOYSA-N 301.394 1.773 0 40 DDAB CC(C)[C@@H](Cn1ccnn1)NC(=O)c1ccc2nsnc2c1 575615174 CBDXZVYVFVTOLL-CYBMUJFWSA-N 316.390 1.737 0 40 DDAB CC(C)CN1C[C@H](C(=O)NCCOc2ccccc2)CC1=O 30112657 OIRMMCLCTOFBEN-CQSZACIVSA-N 304.390 1.686 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)c2cccc(C(N)=O)c2)c1 30625508 LWNCZMJAYVYFKO-UHFFFAOYSA-N 322.328 1.228 0 40 DDAB O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](c2ccc(F)cc2)C1 31176312 LJWCJZWCNVOONV-ZDUSSCGKSA-N 303.293 1.123 0 40 DDAB COCC(=O)NC1CCN(Cc2nnc(-c3ccco3)o2)CC1 40540212 NDFPKZCFRBDBEZ-UHFFFAOYSA-N 320.349 1.057 0 40 DDAB CN(CCOC(=O)c1ccc(Br)cc1)[N+](=O)[O-] 1742036 KBFKYKABQVSQNR-UHFFFAOYSA-N 303.112 1.729 0 40 DDAB CCc1nc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 83830301 DDVQBTVMBWGYEP-OAHLLOKOSA-N 322.434 1.610 0 40 DDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cl 2620224 MOUSWKSFMZFOSK-SNVBAGLBSA-N 303.767 1.968 0 40 DDAB COc1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@@H]3C2=O)cc1 101358925 GWYALUDMANGAQH-ZFWWWQNUSA-N 323.308 1.383 0 40 DDAB C[C@H](C(=O)O)N1CCN(Cc2nc3ccccc3s2)CC1 51660290 BVGNLNHVVUCPDU-LLVKDONJSA-N 305.403 1.887 0 40 DDAB Cc1csc(=O)n1CC(=O)NC[C@H]1COc2ccccc2O1 7781276 JSIYYJXVKMBKDK-NSHDSACASA-N 320.370 1.174 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)c(=O)[nH]1 75122146 DUKCPHPFIOQMQH-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 102664040 QYFGPQIWWMPKDY-YLXLXVFQSA-N 302.374 1.052 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccc(=O)n(Cc2ccccc2)n1 11781203 PWUASAMICURXMG-CQSZACIVSA-N 313.357 1.200 0 40 DDAB Cc1ccc(C(N)=O)c(OCC(=O)NCc2ccc(F)cc2)c1 32866072 DFGFEVICQKZYBV-UHFFFAOYSA-N 316.332 1.928 0 40 DDAB CN(C)S(=O)(=O)c1cc(C(=O)NC2CC2)ccc1Cl 8392765 ABDIOGKGWMSLAN-UHFFFAOYSA-N 302.783 1.483 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)N3CCO[C@H](C)C3)CC2=O)c1C 29789621 UVXGQRIBZSRPKP-UKRRQHHQSA-N 316.401 1.904 0 40 DDAB O=C(CCc1cscn1)N1CCCN(c2ncccn2)CC1 71900157 QKEBQTNSCBLZJW-UHFFFAOYSA-N 317.418 1.605 0 40 DDAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccncc2)CC1 32925040 YMLSOILVBZQYNE-UHFFFAOYSA-N 311.407 1.016 0 40 DDAB COc1ccc(CNC(=O)COC(=O)c2ccccn2)cc1 2649068 IHWCIFWUTXMJBF-UHFFFAOYSA-N 300.314 1.563 0 40 DDAB CC(C)NC(=O)CCCC(=O)OCC(=O)NC1CCCCC1 71913785 JEHQAAWBXSJAAU-UHFFFAOYSA-N 312.410 1.673 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)c(=O)[nH]1 75119052 BIXHPENGAQHZCP-UHFFFAOYSA-N 323.356 1.253 0 40 DDAB Cc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(C)c1 9953805 FTAKYDXZTWTRHI-CQSZACIVSA-N 303.406 1.890 0 40 DDAB Cc1noc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 54674425 BEFJQMZVHUXZPB-UHFFFAOYSA-N 301.350 1.998 0 40 DDAB COc1ccccc1N(C)CCCN1C(=O)NC(C)(C)C1=O 53267335 LNJOYHXWJFZUQV-UHFFFAOYSA-N 305.378 1.852 0 40 DDAB COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)c(OC)c1 106380256 WHZHZIPJKSNPDB-INIZCTEOSA-N 306.406 1.657 0 40 DDAB O=C(c1ccccc1)C1CCN(CC(=O)N2CCNC2=O)CC1 25054996 XOWUYLLWHUGLBW-UHFFFAOYSA-N 315.373 1.133 0 40 DDAB CCc1cccc(C)c1NC(=O)CN1CCN(C(C)=O)CC1 34863149 FHXRYKJVZVEVBA-UHFFFAOYSA-N 303.406 1.660 0 40 DDAB COC(=O)[C@@H]1CCCN1CC(=O)N(C)[C@H](C)c1cccs1 106853567 CYXLJTFOFQSLPI-NEPJUHHUSA-N 310.419 1.905 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cnccc1C)C2 108536425 RJLHUQPOVBXWDO-YOEHRIQHSA-N 301.390 1.768 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 25218680 JSEJDAGMUMGCKY-JKSUJKDBSA-N 322.380 1.182 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)OCC)cc1 56158684 ALNVKGVJCIZBCM-SNVBAGLBSA-N 322.365 1.901 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@@H](C)[C@H](C)n1cccn1 107309177 UEFSKCJULICGEI-ZPDPUCANSA-N 304.398 1.089 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 56940956 XBQUTWVGTDAHRD-ZWNOBZJWSA-N 307.781 1.844 0 40 DDAB CCN(CCO)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 44272420 IXEWERLZSBEYTL-UHFFFAOYSA-N 313.741 1.517 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccc2c(c1)OCO2 47575869 ZBAYLDZEGSDMDY-LLVKDONJSA-N 302.334 1.500 0 40 DDAB CCCCNC(=O)c1ccc(CCNS(C)(=O)=O)s1 26939543 PEICRTZDVVZYKD-UHFFFAOYSA-N 304.437 1.370 0 40 DDAB CN(C)[C@H](CNC(=O)CCNC(=O)c1ccco1)c1ccco1 58055489 FTRDHACYUZXHRZ-GFCCVEGCSA-N 319.361 1.412 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1 58215699 LJTIYLYKSNKYJP-AWEZNQCLSA-N 324.446 1.792 0 40 DDAB CN(CC(=O)NC(N)=O)Cc1ccc(SC(F)F)cc1 58209614 BQGRLUDOQSKHJB-UHFFFAOYSA-N 303.334 1.628 0 40 DDAB O=C(NCCc1ccsc1)N1CCN(c2cnccn2)CC1 44914721 LZEPXNSGWQBCNK-UHFFFAOYSA-N 317.418 1.612 0 40 DDAB NC(=O)c1cnc(NCCc2nnc3ccccn23)c(Cl)c1 44978586 KFQYOCFGBCGBSW-UHFFFAOYSA-N 316.752 1.531 0 40 DDAB C[C@H](CNc1cc(C(N)=O)c2ccccc2n1)N1CCOCC1 44915651 NKKQOBMZLOMBKS-GFCCVEGCSA-N 314.389 1.466 0 40 DDAB O=C1COc2cc(C(=O)N(C[C@H]3CCOC3)C3CC3)ccc2N1 44941012 IEKACAPJHHZLOA-LLVKDONJSA-N 316.357 1.659 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)NC[C@H]2CN(C)CCO2)cc1 58341748 WCPLGZXTARMPOC-JSGCOSHPSA-N 324.446 1.623 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)c2c(O)nnc(C)c2C)C1 58324045 YPLQUALMVMVECU-NSHDSACASA-N 307.350 1.214 0 40 DDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@H](C)c1nncn1C 45380738 UPRCSOZEXXNESF-NWDGAFQWSA-N 317.393 1.902 0 40 DDAB COc1ncccc1NC(=O)N1CCC[C@H](c2nncn2C)C1 48278400 MIXHVRVVTLKZME-NSHDSACASA-N 316.365 1.630 0 40 DDAB C[C@@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C(=O)O)CC1=O 48265696 BQYUCPIHNCPPQJ-CABZTGNLSA-N 302.330 1.565 0 40 DDAB CC(C)(C)n1cc(C(=O)NCCC(=O)Nc2ccccn2)cn1 48288363 SOCWAEUQIQVLHD-UHFFFAOYSA-N 315.377 1.792 0 40 DDAB Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 69529004 VLNZURLGOARRTK-WCQYABFASA-N 306.366 1.383 0 40 DDAB COCCOCCCNC(=O)c1cn(Cc2ccccc2)nn1 69513656 IYDSLFFPEVWYLD-UHFFFAOYSA-N 318.377 1.109 0 40 DDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCSCC1 48984111 OFROUMDOPZMBON-UHFFFAOYSA-N 307.297 1.974 0 40 DDAB CCn1nc(/C=C/c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 3842402 BMHKZVDHCKLDME-MDZDMXLPSA-N 309.329 1.027 0 40 DDAB biogenic Cc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)c(=O)n1C 69626899 SMHXZEFUGMNBLA-UHFFFAOYSA-N 315.377 1.065 0 40 DDAB Cc1cc(N2CCS(=O)CC2)n2nc(C(F)(F)F)nc2n1 69620208 UOWPWVFGUZVSDU-UHFFFAOYSA-N 319.312 1.020 0 40 DDAB O=C(NCc1cccnc1)N1CCCN(c2nccs2)CC1 64401949 HTTCKALCNWUPFR-UHFFFAOYSA-N 317.418 1.960 0 40 DDAB CCNC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 8634098 QWNGPLGUXSLAEH-INIZCTEOSA-N 303.362 1.066 0 40 DDAB Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)cn1 69817878 BSAWFUGHURJAKW-CABCVRRESA-N 321.402 1.699 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306144570 ZJCNMCRIIWURRF-SQWLQELKSA-N 324.384 1.676 0 40 DDAB CCCCn1nnnc1CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 6842608 KROJKAHCAIHARC-NHYWBVRUSA-N 320.397 1.474 0 40 DDAB CC(C)C(=O)NCCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 67608474 MSLTYDONDGJUDY-OAHLLOKOSA-N 318.421 1.655 0 40 DDAB CCOC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346598 NNFHZAQKVJBRBT-UHFFFAOYSA-N 307.375 1.469 0 40 DDAB CNC(=O)NC(=O)[C@H](C)OC(=O)CSCc1cccs1 7410571 ULGRUPTYDKOJTP-QMMMGPOBSA-N 316.404 1.369 0 40 DDAB O=C(NC1CCCCC1)[C@@H]1CCCN(CCN2CCOC2=O)C1 68343956 SJGWMIDZZWFRMJ-CQSZACIVSA-N 323.437 1.600 0 40 DDAB CC(C)c1noc([C@H](C)N2CCO[C@H](Cn3cncn3)C2)n1 70018252 WXVHVJRSHALPEV-RYUDHWBXSA-N 306.370 1.247 0 40 DDAB Cc1cccn2c(=O)cc(CN3CCC[C@@H]3Cn3cccn3)nc12 70039608 XMGRKHSXWOOYRC-MRXNPFEDSA-N 323.400 1.864 0 40 DDAB NC(=O)c1ccc(OCc2nc([C@H]3CCCCCN3)no2)cc1 96001545 NCCKYTRZBRIXGV-CYBMUJFWSA-N 316.361 1.952 0 40 DDAB CN(CCO)c1ccc2nnc(-c3ccccc3Cl)n2n1 9305602 AQPWYUINOOAVNO-UHFFFAOYSA-N 303.753 1.873 0 40 DDAB C[C@H](O)CN1CCN([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 71877425 LITAHHWYEXIIHN-HOTGVXAUSA-N 323.481 1.380 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 71870802 SWCXVXOBZQXHSH-CABCVRRESA-N 320.437 1.330 0 40 DDAB CCN(C)c1ccccc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 71894314 IXRASNVSGZEOLF-LBPRGKRZSA-N 310.419 1.906 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cn1 71841277 JLJOZRHZOOFNRL-CABCVRRESA-N 311.389 1.267 0 40 DDAB CCN(C(=O)NC[C@@H]1CCCO1)[C@H](C)CS(=O)(=O)CC 75611694 BBKPCGSFCRZXPV-NEPJUHHUSA-N 306.428 1.020 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)c2nccnc2N)c(C)nn1C 72253216 WRSGCLRJAYOIFT-JTQLQIEISA-N 316.365 1.087 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)ccc1=O 72282818 GVMQZHPWMPETHD-LBPRGKRZSA-N 315.377 1.396 0 40 DDAB C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)c1cccs1 97032191 GHNPUSNITPDEIT-JTQLQIEISA-N 304.437 1.249 0 40 DDAB Cc1cc(C(=O)NCc2cccc(OCC(N)=O)c2)ccc1F 72302981 MGOHUDADMRJZAI-UHFFFAOYSA-N 316.332 1.928 0 40 DDAB Cc1csc([C@H](C)NC(=O)N2CCC[C@H]2C(=O)NC2CC2)n1 95436898 DZDOJCZWHZHYOS-JQWIXIFHSA-N 322.434 1.965 0 40 DDAB CCc1ccc([C@@H]2COCCN2c2ccc3nnnn3n2)o1 95407817 PLCJMJGFELCYOD-NSHDSACASA-N 300.322 1.253 0 40 DDAB NC(=O)[C@@H]1CC[C@H](CNC(=O)CCc2ccc(F)cc2F)O1 95434048 TXGWZSUVHHMCML-YPMHNXCESA-N 312.316 1.047 0 40 DDAB CC(C)C[C@@H]1CCCCCN1C(=O)c1nc(O)[nH]c(=O)c1N 73922639 ITGSSHCSWPDBGT-JTQLQIEISA-N 308.382 1.489 0 40 DDAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH]ccc23)O1 95986136 GPUYWDMNBMJJFV-ABAIWWIYSA-N 315.373 1.534 0 40 DDAB CNC(=O)NC(=O)CNc1cc(C)n(-c2ccc(C)cc2)n1 95988305 PEYOMPIUSPOIMV-UHFFFAOYSA-N 301.350 1.357 0 40 DDAB Cc1c[nH]/c(=N/C(=O)c2ccc(=O)n(-c3ccccc3F)n2)[nH]1 95980388 ZHRUVCPJAFROLU-UHFFFAOYSA-N 313.292 1.077 0 40 DDAB CN(C(=O)NCc1ccncc1)[C@H]1CCC[C@H]1S(C)(=O)=O 89334821 FHXKMKPPONVPLT-QWHCGFSZSA-N 311.407 1.189 0 40 DDAB COc1ccc2c(c1)CCCN(C(=O)c1cc(C(N)=O)c[nH]1)C2 79018292 JRDCYGMWNUEMKF-UHFFFAOYSA-N 313.357 1.711 0 40 DDAB CCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 22273581 KNKJBURXJYEAEA-UHFFFAOYSA-N 304.799 1.551 0 40 DDAB CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)C1(CS(C)(=O)=O)COC1 1548715178 GWCWLGNBUWFXEK-STQMWFEESA-N 317.451 1.187 0 40 DDAB NS(=O)(=O)c1cnn(CCC(F)(F)F)c1Br 408717591 JJQQEFMCUWARBZ-UHFFFAOYSA-N 322.106 1.245 0 40 DDAB C[C@]1(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)CCCCO1 32577570 HFJMOBXDXWSVSS-MLGOLLRUSA-N 305.378 1.435 0 40 DDAB CCc1c(C)nc(SCC(=O)NCc2cccnc2)[nH]c1=O 35289425 HNSFJGRFWIASRU-UHFFFAOYSA-N 318.402 1.444 0 40 DDAB c1ccc2[nH]c(CN3CCN(CCN4CCCC4)CC3)nc2c1 35598324 TUJSJFXPQZOLII-UHFFFAOYSA-N 313.449 1.776 0 40 DDAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218604140 VDTDCTAXVYYPDW-MELADBBJSA-N 301.383 1.460 0 40 DDAB O=S(=O)(c1cccs1)N1CCN(C[C@H]2CCCO2)CC1 35362696 AJKOKLXYQMYSMT-GFCCVEGCSA-N 316.448 1.233 0 40 DDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218444258 DZEVCIXWBXZONC-BRWVUGGUSA-N 317.410 1.625 0 40 DDAB Cc1c[nH]nc1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 72364466 MHIICXPXKXZGJL-UHFFFAOYSA-N 309.395 1.020 0 40 DDAB CC(C)CNC(=O)COc1nc(Cc2ccc(F)cc2)no1 79031699 TVBBYAPJRUTXQF-UHFFFAOYSA-N 307.325 1.951 0 40 DDAB CCn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2 36360696 QDCWDZJPSUCHOK-UHFFFAOYSA-N 323.150 1.816 0 40 DDAB COCc1noc(CN2CCN(Cc3ccc(C)o3)CC2)n1 188794040 KZPBAGUDODPFKN-UHFFFAOYSA-N 306.366 1.435 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](CCNS(C)(=O)=O)C2)n1 72369213 RKIWKQHGALFODQ-CYBMUJFWSA-N 312.439 1.249 0 40 DDAB Cc1ccc(Nc2nccc([C@@H]3CCCN3CC(N)=O)n2)nc1 72383078 CBLAKVZRAURHCJ-ZDUSSCGKSA-N 312.377 1.546 0 40 DDAB CCN1CCC[C@@](O)(CN2CCN(c3ccccc3F)CC2)C1 46087455 BIPNZRNQBHJVQK-SFHVURJKSA-N 321.440 1.795 0 40 DDAB CCc1cc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)ncn1 173144534 FHBWWCBDOJQWGY-GFCCVEGCSA-N 310.423 1.090 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)N[C@@H]1CCN(C)C(=O)C1 192657584 WVLNKKSKRZHILG-SNVBAGLBSA-N 300.355 1.033 0 40 DDAB Cc1cc(C(=O)N2C[C@H](CNc3ncc(F)cn3)C[C@@H]2C)no1 1068272898 ZBWKOOUUDGSFBZ-ONGXEEELSA-N 319.340 1.875 0 40 DDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 45808591 FFXUNBFDATYHFE-STQMWFEESA-N 318.439 1.048 0 40 DDAB Cc1nc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c2[nH]1 41121335 XDPYIFCYEBSMFO-UHFFFAOYSA-N 312.333 1.217 0 40 DDAB O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H](O)C1 45026974 IHBSBQSKJCHWPC-KRWDZBQOSA-N 317.433 1.817 0 40 DDAB CSCC[C@@](C)(O)CNS(=O)(=O)Cc1ccc(F)cc1 75157553 JLJNQTNCBKYZFC-CYBMUJFWSA-N 321.439 1.749 0 40 DDAB O=C(Cc1cccs1)NS(=O)(=O)c1ncccc1F 195580241 ZENNXILBFMVSSZ-UHFFFAOYSA-N 300.336 1.330 0 40 DDAB CCn1c(=O)oc2cc(S(=O)(=O)NCC(C)(C)C)ccc21 223033873 CEGVWRFCIICCIO-UHFFFAOYSA-N 312.391 1.939 0 40 DDAB CC(C)S(=O)(=O)CCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F 195538783 ZLWOBWFOKXZNQN-GHMZBOCLSA-N 317.373 1.587 0 40 DDAB CC(C)c1nc(NS(=O)(=O)c2cnn(C(C)C)c2)n(C)n1 96433484 MIFJINGLDVIVLC-UHFFFAOYSA-N 312.399 1.517 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)CN(C)C3=O)cc1 96202807 JMKNCJNAEYCQLV-UHFFFAOYSA-N 308.403 1.238 0 40 DDAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C4CCOCC4)C[C@@H]32)cn1 96215918 IIFUUQSOCRNVLY-BMGDILEWSA-N 318.417 1.895 0 40 DDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(CC(C)C)C[C@@H]32)N=C1C 96261520 DUUZETYTABXSRV-HLLBOEOZSA-N 307.438 1.630 0 40 DDAB COCC[C@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96222134 UWNKTXHERQMJBL-CZUORRHYSA-N 305.378 1.524 0 40 DDAB CC(C)n1nnc(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)n1 96232469 CEDGFTZPZDYNPO-UHFFFAOYSA-N 311.349 1.907 0 40 DDAB C[C@@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1 91335579 LFFRGZVGGGIZNN-DOMZBBRYSA-N 323.462 1.469 0 40 DDAB C[C@H]1COCCN1C(=O)NCCN(C)Cc1ccc(F)cc1 96452410 XOPYYCXXKVXIBD-ZDUSSCGKSA-N 309.385 1.688 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCN(C[C@H]2CCOC2)CC1 96454802 ZDKFRRVGBGCSPQ-GFCCVEGCSA-N 310.344 1.759 0 40 DDAB Cn1cccc(NC(=O)N2CCN(CC(F)(F)F)CC2)c1=O 95403987 STZSHJOEDLMIDZ-UHFFFAOYSA-N 318.299 1.097 0 40 DDAB COc1cccc2c1CCN(C(=O)NCC[C@H](C)[S@@](C)=O)C2 96501295 ZACIYWDILNRNJU-YTEVENLXSA-N 324.446 1.920 0 40 DDAB O=C(Cc1cccc(O)c1)N1CCCN(C2CCOCC2)CC1 96415652 XIBSPAHXPIQULE-UHFFFAOYSA-N 318.417 1.648 0 40 DDAB COCCC(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247893307 ULBLVRILKZGZHQ-CYBMUJFWSA-N 306.362 1.114 0 40 DDAB Cc1nc(CN2CC[C@@]2(CCCc2cnccn2)C(N)=O)co1 257336872 YQJJSOPQAFVGOR-INIZCTEOSA-N 315.377 1.226 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](Cc2cc(C(=O)N(C)C)ncn2)C1 257298268 RKZCKVZIAJZNKU-ZDUSSCGKSA-N 318.421 1.616 0 40 DDAB O=C(c1ccsc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257225088 FETMZBYHYXMXGG-CYBMUJFWSA-N 319.386 1.718 0 40 DDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2cnco2)n1 257261466 LHKOFMTWMTVUCK-LLVKDONJSA-N 317.349 1.053 0 40 DDAB CCOc1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)cc1CO 257210447 BUQPQBWZXXJDNC-IRXDYDNUSA-N 307.390 1.303 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H]1Cc2ccccc2O1 41177408 WRMVJNOIWQFLRN-JSGCOSHPSA-N 300.362 1.575 0 40 DDAB COc1ncc(NS(=O)(=O)c2ccc(F)cc2F)cn1 85472042 YRZVWDPQMBJMIT-UHFFFAOYSA-N 301.274 1.564 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OCCO 390834056 RBNSWWCKGDVPBS-AAEUAGOBSA-N 309.362 1.364 0 40 DDAB Cc1nnsc1C(=O)NCCn1ccc(-c2ccncc2)n1 96026119 NIONXFHTXWWPPH-UHFFFAOYSA-N 314.374 1.535 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3)C2)OC1 585105510 YPGYZYCJLSXRRS-HNNXBMFYSA-N 324.446 1.217 0 40 DDAB O=C(NCc1cccs1)N1CCN(c2cnsn2)CC1 585148905 MJHOZCZVZITVOZ-UHFFFAOYSA-N 309.420 1.631 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)C1=CCCC1)[C@H](C)C2 585098638 VYRXVVOHFHRBHF-GFCCVEGCSA-N 304.394 1.698 0 40 DDAB Cc1cc(C)c(CCNC(=O)CN(CC(N)=O)C(C)C)c(C)c1 51966645 BHSJPGXCFCVJRQ-UHFFFAOYSA-N 319.449 1.466 0 40 DDAB CC(C)c1nnc(CN2CCC[C@@H]2C(=O)N2CCSCC2)o1 67117675 HFCZAAKWRQQOSO-GFCCVEGCSA-N 324.450 1.733 0 40 DDAB C[C@H]1CCN(S(=O)(=O)NC[C@@H](C)N(C)c2ccccc2)C1 95465726 HFCXZXFOSMLHAH-UONOGXRCSA-N 311.451 1.688 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CCc2cccnc2)C1 76019333 OIIYQIGXWZUFAS-ZIAGYGMSSA-N 310.419 1.486 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@@H]1C(=O)O 88374290 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320.422 1.130 0 40 DDAB O=C(NCCc1cccc(O)c1)C(=O)Nc1ccc(F)c(F)c1 72291104 HINCDPQNJQCXHH-UHFFFAOYSA-N 320.295 1.968 0 40 DDAB CCO[C@H](C)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 72295374 MQLOELFDHZZEEV-JKSUJKDBSA-N 319.449 1.738 0 40 DDAB COc1c([C@H]2CCCN2C(=O)[C@H](C)n2cncn2)c(C)nn1C 72234360 IBNVOWOXLOOLAW-NWDGAFQWSA-N 318.381 1.253 0 40 DDAB CC(C)n1cc(S(=O)(=O)Nc2nnc(C3CCC3)[nH]2)cn1 97143793 QMKPYXSUYQLLHV-UHFFFAOYSA-N 310.383 1.650 0 40 DDAB COc1ccc([C@@H](O)CNC[C@H]2CN(C3CC3)CCO2)cc1 78788253 BOGUMBYDFVAWCT-IRXDYDNUSA-N 306.406 1.181 0 40 DDAB O=C1CN(C(=O)CS[C@H]2CCCc3ccccc32)CCN1 78979173 WAPZJLGMQMLBOD-AWEZNQCLSA-N 304.415 1.756 0 40 DDAB NC(=O)CN1CCC(N[C@@H]2CCCCc3ccccc32)CC1 95350777 NPLUERGSNSNONP-QGZVFWFLSA-N 301.434 1.993 0 40 DDAB COC(=O)[C@H](O)C1CCN(Cc2ccc3ccccc3n2)CC1 95432447 PABMXJIDYRBGQV-QGZVFWFLSA-N 314.385 1.981 0 40 DDAB CCc1noc(CN2CCC(C(=O)Nc3ncccn3)CC2)n1 95952963 ZIMGANNJVITIIR-UHFFFAOYSA-N 316.365 1.273 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1 74397996 FRXIYROCMWCXPV-CMPLNLGQSA-N 317.374 1.400 0 40 DDAB CN(C)c1cccc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 89326693 FZSYNVKZYJWCOZ-CVEARBPZSA-N 304.390 1.773 0 40 DDAB CN(CCOc1ccccc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O 23840821 WEUCGAKYCLXCQH-KRWDZBQOSA-N 317.389 1.675 0 40 DDAB CCOC(=O)c1c[nH]c(=NC[C@@H](c2ccsc2)N(C)C)cn1 547632694 HHTIPNPCSPJNFJ-ZDUSSCGKSA-N 320.418 1.852 0 40 DDAB COc1ccc([C@H]2CN(c3ncccn3)CCN2C(C)=O)cc1 72368950 XSALGBSEQMQDQB-MRXNPFEDSA-N 312.373 1.895 0 40 DDAB CC(=O)Nc1nc(C(=O)Nc2c3c(nn2C)CCC3)cs1 517888939 NHAUIQGLGWAAMJ-UHFFFAOYSA-N 305.363 1.576 0 40 DDAB O=C1NCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 521396358 PWKLNPKQTYENNO-OUJBWJOFSA-N 310.756 1.977 0 40 DDAB CN(C)C(=O)Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71285109 QLWOAIMSJKYMEJ-UONOGXRCSA-N 318.373 1.613 0 40 DDAB COc1ccc(CC(=O)NCc2ccc(OC)nc2)c(OC)c1 32882595 PXGHONOGXOTGHR-UHFFFAOYSA-N 316.357 1.966 0 40 DDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217413286 LGWNQSMDNVPZAF-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCC1 37975420 VIGKRSSWQDLBPO-LLVKDONJSA-N 314.382 1.505 0 40 DDAB CC(=O)N1CCN(c2ccc([C@H](O)c3ccccc3)cn2)CC1 72225636 PXWXEHLTTFXZDA-GOSISDBHSA-N 311.385 1.832 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 33028089 IVVNWOROUBCVOJ-IUODEOHRSA-N 319.357 1.628 0 40 DDAB C[C@@H]1CCCCN1c1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 222532338 WPDVTFSDIGVIQF-OLZOCXBDSA-N 301.390 1.904 0 40 DDAB Cn1ncc2c1N=C(O)C[C@H]2c1cccc(OCC(N)=O)c1 49547614 AXAPQRRTEINSIY-NSHDSACASA-N 300.318 1.408 0 40 DDAB CN1CCO[C@@H](CNC(=O)NCc2ccc3ncccc3c2)C1 194144495 VXTDLCVSIIPLKC-HNNXBMFYSA-N 314.389 1.365 0 40 DDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 47652122 NJQJWSTYQWQEIE-RMKNXTFCSA-N 320.370 1.517 0 40 DDAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](C(F)(F)F)CC2=O 85399276 NUYXOVCXRNOBFW-LURJTMIESA-N 303.236 1.859 0 40 DDAB COc1cc(N)cc(Br)c1N1CCN(C)CC1 45885989 CVMJFSVSOHDFMZ-UHFFFAOYSA-N 300.200 1.792 0 40 DDAB CC[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2C)n1)C(=O)O 190910044 KFVFOLLSPHLORD-LLVKDONJSA-N 305.309 1.913 0 40 DDAB COc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3C)c1 96186200 FIQJZIRVGCUREC-GJZGRUSLSA-N 302.374 1.459 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 96239134 CTVYKQPNTIAGCK-MRXNPFEDSA-N 302.378 1.628 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3O2)n1 96220502 AMMZLUCWADRHKL-HOSYDEDBSA-N 320.374 1.307 0 40 DDAB O=C(C1CCOCC1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053644 PEEYCYLMPBNRHS-HOCLYGCPSA-N 314.385 1.534 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1 96187767 ZCHXJGSFYDIWHH-ZDUSSCGKSA-N 305.403 1.792 0 40 DDAB CN(C)C(=O)CN1CCC2(CCN(Cc3ccccn3)CC2)C1 96157567 CSYVQQXMQKMHHH-UHFFFAOYSA-N 316.449 1.458 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccno3)C[C@@H]21 257208459 BMFSHJZPQDBKEQ-FRRDWIJNSA-N 313.361 1.452 0 40 DDAB CO[C@@H](C)CN(C)C(=O)c1cccc(-c2cnc(N)nc2)n1 257237420 HGJZAOVSQNHICG-JTQLQIEISA-N 301.350 1.228 0 40 DDAB NCC(=O)N1CCC2(CC1)CO[C@@H](Cc1ccc(F)cc1)C2 257327925 XDJZDSUTMOWXAI-HNNXBMFYSA-N 306.381 1.725 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCO[C@H](c3cnccn3)C2)s1 257245267 IOSLVTQBFWWTAP-ZDUSSCGKSA-N 318.402 1.693 0 40 DDAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2CC(N)=O)s1 257263459 LPZPWXBRYUUCOA-SNVBAGLBSA-N 318.406 1.607 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)CCN1CCCC1 257317760 VLABIEPRZDFWEW-MRXNPFEDSA-N 317.433 1.654 0 40 DDAB Cc1nc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)co1 257268083 MKDFSUUHTKDPRJ-GFCCVEGCSA-N 315.377 1.840 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)cn1 257313695 UTRKWILNIBGZDZ-ZDUSSCGKSA-N 301.350 1.041 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cccnc1O 253535866 NTXXGEGOOFFEAI-HAQNSBGRSA-N 314.345 1.697 0 40 DDAB COCC[C@H](CO)NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 252488880 JBELXUMXHLYKDA-MCIONIFRSA-N 310.398 1.063 0 40 DDAB Cc1c[nH]c([C@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257331684 XTUPZQUFPVHVGN-NSHDSACASA-N 323.356 1.584 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)nc(C)n1 257200971 AFPMBKWVFDBIPL-AWEZNQCLSA-N 314.393 1.846 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 96122988 SREAZBALQIYSLV-CQSZACIVSA-N 314.345 1.213 0 40 DDAB Cc1nc(NC(=S)NC[C@@H]2CCS(=O)(=O)C2)sc1C 575423750 QYCDNFQWNSZMLU-VIFPVBQESA-N 319.477 1.481 0 40 DDAB Cc1ccccc1C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1O 585280175 ZEDHFYJWKXIBSV-NVXWUHKLSA-N 311.385 1.851 0 40 DDAB Cc1cnc(C(=O)N2CC(F)(F)C[C@]3(CCN(C)C3=O)C2)cn1 585093346 QJCDSTNMBGFPCV-CQSZACIVSA-N 324.331 1.115 0 40 DDAB COC(=O)c1ccnc(NC(=O)C[C@H]2CCCCN2C(C)=O)c1 72284926 FBCCXCNKZBSLEV-CYBMUJFWSA-N 319.361 1.598 0 40 DDAB COC[C@@H](O)CNc1ncccc1I 95960973 FLBQVXTUNSZZHP-ZETCQYMHSA-N 308.119 1.105 0 40 DDAB CCCCN(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 5272378 HNBJVJKDKFBOBT-UHFFFAOYSA-N 310.375 1.090 0 40 DDAB COC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@H]1c1ccco1 5914687 GNPCSSKRAOAHCO-ILXRZTDVSA-N 315.325 1.513 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)c1snc2c(O)ncnc12 13564126 PFBHVNHZUNZJLV-UHFFFAOYSA-N 316.298 1.773 0 40 DDAB CCc1cc(CC)[nH]/c(=N\N=c2/nc(CC)cc(CC)[nH]2)n1 18155286 KVMOYEKXMARNDA-UHFFFAOYSA-N 300.410 1.799 0 40 DDAB O=C1O[C@@H](CO)CN1c1ccc(I)cc1 1420676 KECRHMULLZOXQY-SECBINFHSA-N 319.098 1.609 0 40 DDAB in-vitro O=C1C[C@@H](C(=O)NCc2cccnc2)Oc2ccc(F)cc21 28580459 GYAHMFOQORLZOT-HNNXBMFYSA-N 300.289 1.871 0 40 DDAB CN(C)c1cc(CNC(=O)[C@@H]2C(=O)NC[C@@H]2C(C)(C)C)ccn1 585149760 MWBOMAKOIMBVTF-GXTWGEPZSA-N 318.421 1.172 0 40 DDAB Cc1cnccc1OCC1CCN([C@@H]2CCCNC2=O)CC1 1889061988 APZBNBVUSQBHOX-OAHLLOKOSA-N 303.406 1.759 0 40 DDAB Cc1cc(N[C@H]2CCN(C3CCOCC3)C2)n2ncnc2n1 1889083311 NVHBKFINKZIXLE-LBPRGKRZSA-N 302.382 1.098 0 40 DDAB Cc1ncnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)c1C 1889096214 GVCOQNUCTHNWNO-CQSZACIVSA-N 320.462 1.885 0 40 DDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1C[C@@H](C)O[C@H](C)C1 26462099 JDJACFGJUGCMHZ-BBBLOLIVSA-N 311.407 1.283 0 40 DDAB Cn1cc(/C=C/C(=O)NCc2ccc(N3CCCC3)nc2)cn1 30297883 DMBUZDKEFNUONW-FNORWQNLSA-N 311.389 1.745 0 40 DDAB CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 32780625 KUCSXOQXBNVNBE-SECBINFHSA-N 319.785 1.667 0 40 DDAB O=S(=O)(CCc1ccccc1)N1CCC(n2nccn2)CC1 238866937 LZLBBLRDMZPSSZ-UHFFFAOYSA-N 320.418 1.488 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CC(Oc2cccnc2)C1 238840455 HSXJUIPTCQBXRO-UHFFFAOYSA-N 308.341 1.721 0 40 DDAB COc1cccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1 2037980880 LKPHHZPVXLIQDV-HOCLYGCPSA-N 304.390 1.374 0 40 DDAB CCSCC(=O)N1CC2(C[C@H](NCCOC)CS2)C1 2056224482 RTXBAYWDUBCEOY-NSHDSACASA-N 304.481 1.062 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)NC3CC3)C[C@H]2C[C@@H]1O 2332242620 DCJMSRYFKQHJFI-NEBZKDRISA-N 304.394 1.307 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40466702 JIMZOOMPRLHZSX-PWSUYJOCSA-N 315.366 1.239 0 40 DDAB CC[C@H](C)Sc1nnc(NC(=O)C(=O)NC(C)C)s1 58965495 MEIZWHZBFJTKBE-ZETCQYMHSA-N 302.425 1.892 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](C(N)=O)C2)o1 50856450 TUEZVQMDOIYUFY-CKTNBAMMSA-N 304.346 1.129 0 40 DDAB Cn1cc(/C=C/C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cn1 31503826 MTXVTCMHKVTCIP-HSBSLETESA-N 322.372 1.840 0 40 DDAB Cc1ccc(S(=O)(=O)n2ccn3c(=O)cc(C)nc23)cc1 1636645 LWQVWICVZWCCSY-UHFFFAOYSA-N 303.343 1.350 0 40 DDAB CCS(=O)(=O)N1CCC(Nc2ncnc3ccccc23)CC1 31949170 IQPIICANEMMNQN-UHFFFAOYSA-N 320.418 1.856 0 40 DDAB O=S1(=O)C[C@@H]2N=C(Nc3ccc(F)c(F)c3)S[C@@H]2C1 3907041 JLZSQDSKGFHSJJ-VHSXEESVSA-N 304.343 1.645 0 40 DDAB CCOC(=O)[C@@](O)(NC(=O)c1ccc(F)cc1)C(F)(F)F 4016194 OWTCYKSRRFBIHO-NSHDSACASA-N 309.215 1.370 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(C2CC2)C1 29461364 QZDKJFGZSDETPM-CYBMUJFWSA-N 311.385 1.838 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCC1(CO)CC1)C(=O)C2 101434762 IIIVHGBVCRBWQX-XHDPSFHLSA-N 315.435 1.074 0 40 DDAB Cc1nnc(CCC(=O)N[C@@H](CN2CCCC2)C(C)(C)C)[nH]1 32519449 GAUFUTBGXNNOKG-ZDUSSCGKSA-N 307.442 1.672 0 40 DDAB CCn1cc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cn1 32595295 KQVMDDQMPZDEBH-UHFFFAOYSA-N 309.347 1.710 0 40 DDAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)c(=O)[nH]1 75118498 DEGMLWKFEAWRGP-GFCCVEGCSA-N 305.403 1.778 0 40 DDAB CS[C@H](C)C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 75108912 OJZBIDLPEIWRKZ-UKRRQHHQSA-N 320.458 1.945 0 40 DDAB COC(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 8429525 AEMXXAUTFOFEMG-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 29874231 RXXZMLWTLZHKLD-LLVKDONJSA-N 310.309 1.530 0 40 DDAB Cc1ccn2cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)nc2c1 17183601 WVGXRUHAHIWFTL-GFCCVEGCSA-N 318.333 1.019 0 40 DDAB COCCN1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1=O 108532563 UMCOUGYZDONUTK-KBPBESRZSA-N 308.422 1.520 0 40 DDAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)NC(=O)NC1CC1 21700274 JQHBCXYYZFEHAT-UHFFFAOYSA-N 313.260 1.408 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)Cn1nnc(-c2ccccc2)n1 2788399 RFUBPSMUFXQZKJ-UHFFFAOYSA-N 311.349 1.329 0 40 DDAB C[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1 53368745 YNOOJNWPKGSQNO-JTQLQIEISA-N 324.427 1.929 0 40 DDAB C[C@@]1(C(=O)NCCn2cnnc2C2CC2)CC1(Cl)Cl 71911529 FTYXJIBSJAGXKP-NSHDSACASA-N 303.193 1.856 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cnn(C)c3)ccc12 25311185 QENNXOCQXNCWGK-UHFFFAOYSA-N 313.313 1.852 0 40 DDAB biogenic CCNC(=O)CCC(=O)N1CCN(c2nc(C)cs2)CC1 104035581 NTXYJPWNWUETJC-UHFFFAOYSA-N 310.423 1.016 0 40 DDAB C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccncc1 27950627 JSWNGTYKLUNCKV-MRVPVSSYSA-N 300.771 1.508 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCCc2ccccc21 103061756 INUOGWPTZUAYSJ-HUUCEWRRSA-N 324.380 1.917 0 40 DDAB CC(C)c1cc(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)on1 23629759 MTUINEYAJFFZFJ-GFCCVEGCSA-N 308.382 1.289 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccn2)c1 24356945 FDIKOWHPRRRBKL-NSHDSACASA-N 320.370 1.908 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C1CCCCC1 24690081 RPMIVUMDQVVYQL-ZDUSSCGKSA-N 302.440 1.497 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)on1 25228524 QLGMDCDNFJPRQZ-UHFFFAOYSA-N 317.320 1.720 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)Cc1ccccc1 106911417 HOMMYRCFPNIKIC-CABCVRRESA-N 305.422 1.937 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 43700326 ZUTYGJFKLSPDEO-JTQLQIEISA-N 304.129 1.919 0 40 DDAB CC(=O)N1CCC(NC(=O)Nc2nc3ccccc3[nH]2)CC1 43881266 GIUIXLBVLOQCAG-UHFFFAOYSA-N 301.350 1.695 0 40 DDAB CCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccoc2)CC1 27472194 WQGRGQMTAXEWNW-UHFFFAOYSA-N 307.394 1.342 0 40 DDAB O=C(Nc1cc(-n2cnnn2)ccc1F)c1cc(C2CC2)[nH]n1 58247527 LHTAFLXYYFKEKM-UHFFFAOYSA-N 313.296 1.654 0 40 DDAB Cc1cccc(-c2noc(CN3CCN(CCO)CC3)n2)c1 44917992 ASAACIRSEOPHLW-UHFFFAOYSA-N 302.378 1.155 0 40 DDAB CC[C@H](CN1C(=O)N[C@H](C)C1=O)N1CCc2ccccc2C1 44980689 NQAWJRIAPDPNLO-IUODEOHRSA-N 301.390 1.764 0 40 DDAB CC[C@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCO1 44967614 UZPSSSKOELPNRE-AWEZNQCLSA-N 302.378 1.697 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(-c2ccccn2)noc1=O 58313680 FOTKCYGOEWAURC-VXGBXAGGSA-N 316.361 1.688 0 40 DDAB CN(Cc1nnc2ccccn12)C(=O)c1ccc2c(c1)OCO2 58343203 QDJZZAJHWHZZHR-UHFFFAOYSA-N 310.313 1.730 0 40 DDAB COc1nc(C(=O)NCCNc2ncccn2)cc2ccccc12 58305132 YOZJTCUMQDKQBT-UHFFFAOYSA-N 323.356 1.875 0 40 DDAB CN(C)[C@@H](CNC[C@@H]1CNc2ccnn2C1)Cc1ccccc1 58356151 UTTOJRAVZULPKR-IAGOWNOFSA-N 313.449 1.687 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 89913811 IXPZVXUEPWNACD-JTQLQIEISA-N 316.361 1.733 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 45291742 VSMBRXVFMPDXEN-NSHDSACASA-N 324.812 1.041 0 40 DDAB Cc1nc(CNC(=O)NCCN2CCCCCC2=O)cs1 45343843 PCGHCDISUALBLI-UHFFFAOYSA-N 310.423 1.653 0 40 DDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)N1CCCc2ccccc21 45359812 SCMXCZABCUCETI-CQSZACIVSA-N 323.414 1.560 0 40 DDAB C[C@H]1CN(C(=O)NCCCOC[C@H]2CCCO2)CC(C)(C)O1 68543307 RJJDRTULUDRBTF-UONOGXRCSA-N 314.426 1.781 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCO3)cn2)C[C@@H](C)O1 48301551 FTUHXVPTEPVWLV-NFAWXSAZSA-N 319.405 1.490 0 40 DDAB CCCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1 48374903 BGCJIKNZTCUGEC-UHFFFAOYSA-N 306.334 1.623 0 40 DDAB CC(C)Oc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 48308815 JTHPTKYWLKUTAU-ZETCQYMHSA-N 318.424 1.637 0 40 DDAB CC(C)C(=O)N1CCCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 69584755 OPHCCXPNZCVMKG-HZPDHXFCSA-N 323.481 1.966 0 40 DDAB COC(=O)[C@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 69564313 ZLTOQSUPSJLELQ-NSHDSACASA-N 300.399 1.879 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(=O)n(C)c1 81612375 CXIAPIACXCMZSK-ZDUSSCGKSA-N 311.385 1.866 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)CCC1 70038249 YKNCAWIUNUJCDQ-ZDUSSCGKSA-N 304.394 1.099 0 40 DDAB CN(C[C@@H]1OCCc2ccccc21)C(=O)[C@@H]1CCC(=O)NC1 69348989 HRFXFDBVFWTJRV-HIFRSBDPSA-N 302.374 1.285 0 40 DDAB COCCOCCC(=O)NCCC(=O)N(C)Cc1ccccc1 69351071 KNDUVUXBLIWYMV-UHFFFAOYSA-N 322.405 1.204 0 40 DDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn21 13735222 XYJFGSAEXGPEJS-SECBINFHSA-N 321.724 1.462 0 40 DDAB CC1CCN(C[C@H](O)CN2CCC[C@@H]2c2cnn(C)c2)CC1 69668377 ITLMIAZDZAMXGN-DLBZAZTESA-N 306.454 1.650 0 40 DDAB COc1ccc(-c2noc(CCC(=O)N(C)C)n2)cc1OC 4384103 VYWWJRLYFFFDTC-UHFFFAOYSA-N 305.334 1.775 0 40 DDAB CCn1ncc(CNC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)c1C 17054978 QYDZQURODCMETB-BBNOBNGHSA-N 319.405 1.965 0 40 DDAB COC[C@@H](C)NC(=O)N1CCN(Cc2csc(C)n2)CC1 65412878 XLEKGXPYIFMUPP-LLVKDONJSA-N 312.439 1.314 0 40 DDAB COCCn1cc(NC(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 65428298 VEHOOUHSKBULFM-ZIAGYGMSSA-N 307.398 1.278 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H](C)n1cnc3ccccc31)C2 69445569 UKMIQGFVRDJXLI-LLVKDONJSA-N 310.361 1.540 0 40 DDAB COc1ccc(C)cc1CN(C)C(=O)C1=NN(C)C(=O)CC1 69489943 FUHDELYECZFYRO-UHFFFAOYSA-N 303.362 1.570 0 40 DDAB FC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cn1cncn1 69601420 KODRRGYLIMMMLM-NSHDSACASA-N 314.315 1.702 0 40 DDAB Cc1cccc(CN2CCN(c3ccc4nnnn4n3)CC2)c1 14135837 BXHFJRJNXXROCT-UHFFFAOYSA-N 309.377 1.150 0 40 DDAB O=C(CN1CCC[C@H](N2CCCCCC2)C1)N1CCOCC1 65605899 GFWUKMPARPYKQH-INIZCTEOSA-N 309.454 1.186 0 40 DDAB CCCn1c(CN2CCN3C(=O)NC[C@@H]3C2)nc2ccccc21 91864460 PITKGENNFBGIAA-CYBMUJFWSA-N 313.405 1.656 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCC(=O)NC1CCCC1 69701531 GIWIWBLILXJRFJ-SJORKVTESA-N 321.465 1.911 0 40 DDAB COCc1ccccc1CNC(=O)NCc1ccnc(C)n1 69702547 ULBCENQQDFDXFF-UHFFFAOYSA-N 300.362 1.931 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 4878816 JINZTDOWIBTFNT-ZETCQYMHSA-N 323.353 1.547 0 40 DDAB CC1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 4988297 UALPCUBVMBNCLW-UHFFFAOYSA-N 305.378 1.889 0 40 DDAB COC(=O)c1c(NC(=S)Nn2cnnc2)sc2c1CCC2 7061220 HZYUDKXKNPZVHV-UHFFFAOYSA-N 323.403 1.555 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccccc1)C2=O 18023529 DBXBSSDVGIEGPF-UHFFFAOYSA-N 301.346 1.832 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1 80304250 MRHIRWQRTSCSLX-AWEZNQCLSA-N 311.341 1.604 0 40 DDAB Cc1nc(-c2cccc(NC(=O)C(=O)NCC3CCC3)c2)n[nH]1 83996413 NRDJMITYVQPORW-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 96007130 KTYWLRJKTSZRCT-SSDOTTSWSA-N 304.190 1.697 0 40 DDAB Cc1ccc2nc(CN[C@@H](C)[C@H](C)n3cccn3)cc(=O)n2c1 71882088 NFVWNPLUNXSRJM-KBPBESRZSA-N 311.389 1.939 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 71871157 AKXPNEJBGQGBMD-SNVBAGLBSA-N 317.311 1.239 0 40 DDAB Cc1cccn2cc(CN3CCO[C@H](Cn4cncn4)C3)nc12 72267549 TWIZYWBAAMTIDA-HNNXBMFYSA-N 312.377 1.135 0 40 DDAB C[C@H]1Sc2ccccc2N(C(=O)Cn2ncn(C)c2=O)[C@@H]1C 97049421 MEDCMYAOWQBSSS-GHMZBOCLSA-N 318.402 1.498 0 40 DDAB C[C@H](c1nc2ccccc2o1)N1CCC(CS(N)(=O)=O)CC1 97047184 ODNVPSXBZZXCAJ-LLVKDONJSA-N 323.418 1.889 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1[nH]cnc1C 97009786 RSZWRLTVTRAMQE-OAHLLOKOSA-N 313.361 1.055 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2nccn2C1 97197660 LUGWZKCQQMXMIC-CYBMUJFWSA-N 322.372 1.517 0 40 DDAB CN(C)c1ccc(C(=O)NCCC(=O)Nc2ccncc2)cn1 78732768 MMNSQYAPLVYUGQ-UHFFFAOYSA-N 313.361 1.301 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)NC[C@H](O)Cc1ccccc1 78757571 NVFQQZRWUFDBMS-CMPLNLGQSA-N 305.296 1.674 0 40 DDAB COC(=O)c1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 95446501 LUJNPVRIMJUCPD-CMPLNLGQSA-N 319.361 1.591 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)O)C1 95442427 PQTKTJCKSHJXGO-XJFOESAGSA-N 304.456 1.444 0 40 DDAB O=C(NC[C@@H](O)c1ccsc1)c1cccnc1-n1cccn1 95417437 OPSMDRQKSGMNKF-CYBMUJFWSA-N 314.370 1.792 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)N[C@@H](CO)Cc1ccccc1 95432917 SEWKKUJRJXCTLJ-MRXNPFEDSA-N 323.389 1.849 0 40 DDAB CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2ccccc2)CC1 79719773 JKOXEMLCPYOLDM-CYBMUJFWSA-N 303.406 1.638 0 40 DDAB CCCN1CCCC[C@H]1C(=O)N1CCC2(CC1)CNC(=O)C2 73317611 NWLOOAITVOSABD-AWEZNQCLSA-N 307.438 1.380 0 40 DDAB CCn1c(CCNC(=O)[C@@H](O)c2ccccc2)n[nH]c1=S 73497304 SZMNMLXVFZOYCO-LBPRGKRZSA-N 306.391 1.353 0 40 DDAB COc1ccc(C(N)=O)cc1NCc1ncn(-c2ccccc2)n1 95983250 IORSGDFDQXCULD-UHFFFAOYSA-N 323.356 1.987 0 40 DDAB Cc1cccc(NC[C@H]2CCN(CCCC(=O)NC(N)=O)C2)n1 65575372 FCUXYLANBNENBH-CYBMUJFWSA-N 319.409 1.099 0 40 DDAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CC2)cc1 67896285 AAVUVUNFVGOAJO-GDBMZVCRSA-N 318.373 1.316 0 40 DDAB biogenic,in-vitro Cc1cc(C)cc(N(CCC(=O)O)S(=O)(=O)c2cnc[nH]2)c1 547898928 VJEAJOYTLBDGJF-UHFFFAOYSA-N 323.374 1.697 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cc(C3CC3)on1)C2 306138378 RWDHHRULHSHUNC-GFCCVEGCSA-N 319.405 1.735 0 40 DDAB CC(C)(C)CN1CCC[C@H](N2CC[C@H](O)C(F)(F)C2)C1=O 521398731 NABQTXHTMGPCIO-RYUDHWBXSA-N 304.381 1.725 0 40 DDAB C[C@H](N)C(=O)NC[C@@H]1CCCN1C(=O)OCc1ccccc1 79393027 PVYRWOPHRRIRGG-JSGCOSHPSA-N 305.378 1.251 0 40 DDAB CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n[nH]1 77139984 GGZYHYYQYIRBGB-WDEREUQCSA-N 313.423 1.619 0 40 DDAB Cc1cnc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)s1 30674523 ODHKPGXZOXTJFY-UHFFFAOYSA-N 316.342 1.093 0 40 DDAB Cc1cccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)n1 72364577 BETODWYJQOCZSA-UHFFFAOYSA-N 306.391 1.681 0 40 DDAB COc1ccc(-c2cnc(CN3CCOC[C@H]3C(=O)O)o2)cc1 560126786 GZEOGPAGQIBSAN-ZDUSSCGKSA-N 318.329 1.636 0 40 DDAB Cc1cc(C(=O)NCc2cccs2)nc(N2CCOCC2)n1 71195480 LIDBSAVGRBDFHK-UHFFFAOYSA-N 318.402 1.613 0 40 DDAB COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2occc12 71195343 LLWUFHZMQXDQLG-JTQLQIEISA-N 309.343 1.358 0 40 DDAB Cc1ccn(-c2ccc(N3CCC[C@@H]([C@@H]4CCNC4)C3)nn2)n1 561267814 YQQIBOIZPDXKOM-HUUCEWRRSA-N 312.421 1.797 0 40 DDAB COc1cc(C)ccc1OCc1nnc(SCC(=O)O)n1C 72328097 CIRIOFFFCZUWEK-UHFFFAOYSA-N 323.374 1.888 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3nc(C)no3)C2)n1 41123573 KDLRYIUPLPNOSX-AWEZNQCLSA-N 317.393 1.988 0 40 DDAB Cc1cc(C)c2c(=O)ccn(CC(=O)NC[C@H]3CCCO3)c2c1 225754057 WULUBEGPQITVPA-CQSZACIVSA-N 314.385 1.914 0 40 DDAB CS(=O)(=O)Nc1cc(Br)cnc1-n1cccn1 130037341 SRLNPMOGAQIAIA-UHFFFAOYSA-N 317.168 1.401 0 40 DDAB O=C(c1ccc(Cl)cc1O)N1CCN(C[C@@H]2CCOC2)CC1 85634234 NSLFGECUMRKXHR-LBPRGKRZSA-N 324.808 1.840 0 40 DDAB O=C(NCCN1CCCS1(=O)=O)c1cc2ccccc2s1 61598446 CMMDIXCLQZTTJW-UHFFFAOYSA-N 324.427 1.667 0 40 DDAB O=C(NCCc1nnc2n1CCCC2)c1noc2c1CCCC2 329547196 BZSGCQRLNLVLCR-UHFFFAOYSA-N 315.377 1.454 0 40 DDAB COc1ccnc(NC2CCN(Cc3ccnn3C)CC2)n1 191688204 UAKMEWFZMAZFDZ-UHFFFAOYSA-N 302.382 1.295 0 40 DDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(C(=O)O)ccn1)C2 570617103 BFQLHVZDOCKULQ-LBPRGKRZSA-N 312.329 1.166 0 40 DDAB CCn1cc(NC(=O)[C@@]2(C)Oc3ccc(C)cc3NC2=O)cn1 40779366 MEIDJGCZNNINQH-MRXNPFEDSA-N 314.345 1.940 0 40 DDAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(F)c(C)c1 75157551 SFNNYAPEEGCJJJ-CYBMUJFWSA-N 321.439 1.917 0 40 DDAB CC1(C)[C@@H](C(=O)N2c3ccccc3C[C@@H]2C(=O)O)[C@H]1C(=O)O 80336774 CASGVVWONVPEQW-UTUOFQBUSA-N 303.314 1.386 0 40 DDAB Cn1nccc1C(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 225783501 IVPFZBNBWSUWPY-UHFFFAOYSA-N 322.372 1.806 0 40 DDAB CCn1cc(CNC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cn1 334092836 OZRDAZIYCUKEGM-JKSUJKDBSA-N 320.437 1.986 0 40 DDAB C[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccc(Cl)s1 97374154 CHRZJWLOWAHUEU-MRVPVSSYSA-N 301.799 1.011 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 92569964 SUNVVTLIBGSTJI-SNVBAGLBSA-N 302.421 1.210 0 40 DDAB CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N1CCC(C)CC1 96112951 WRZSGSUOXHQPQX-JKSUJKDBSA-N 323.481 1.870 0 40 DDAB biogenic,in-vitro COCC(=O)N1CCC2(CC[C@@H]2NC(=O)c2ccn(C)c2)CC1 96051733 QUDKSNWVNOTRBJ-AWEZNQCLSA-N 319.405 1.173 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](CN)CC(C)C)c(C)c1 95432088 OFYTTWFQDLFNBX-GFCCVEGCSA-N 300.424 1.655 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@H]2C(=O)O 91302917 OPVIFSBRWSFTFF-JTQLQIEISA-N 322.365 1.261 0 40 DDAB O=C(NCc1cnc2n1CCN(Cc1ccncc1)C2)C1CC1 96201175 OTGQSRVLANXIKK-UHFFFAOYSA-N 311.389 1.320 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1nnc3ccccc31)C2 97198041 RBAKMYWALHQSIN-LBPRGKRZSA-N 310.361 1.067 0 40 DDAB O=C(NCC1CC1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 96147305 AHMFAYMENXJNKJ-UHFFFAOYSA-N 312.329 1.365 0 40 DDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(c3cnccn3)C2)C1 96219768 BINWJBBLNDUILP-XJKSGUPXSA-N 312.377 1.141 0 40 DDAB COCCN1CCc2c(cnc(-c3ccnn3C)c2C(=O)O)C1 96189249 ZLTPPOWCYKKSGH-UHFFFAOYSA-N 316.361 1.185 0 40 DDAB C[C@H](Cc1cnn(C)c1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O 333916162 NCPORKPNPNDHAE-NGFQHRJXSA-N 316.405 1.946 0 40 DDAB Cc1cccc(CN2C[C@@H]3OCCN(c4cnccn4)[C@@H]3C2)n1 96246533 KDHLNQMJTUZXQM-CVEARBPZSA-N 311.389 1.270 0 40 DDAB Cc1ccc(CC(=O)N2C[C@H]3OC[C@@H](CN(C)C)[C@H]3C2)cc1 248020570 RDKXXELVDADIOW-BRWVUGGUSA-N 302.418 1.573 0 40 DDAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 248117616 IZJZDYRXIYLGRV-OAHLLOKOSA-N 314.389 1.673 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cc(C(N)=O)ncn2)CC1 257220938 DMXBAVJQOAYOCJ-LBPRGKRZSA-N 318.421 1.793 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)Nc3ccccn3)ccc2NC1=O 252495991 PECGMRINWDXJBU-VIFPVBQESA-N 319.342 1.602 0 40 DDAB Cc1n[nH]cc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257289723 PZXGWDHGZOHDIF-HOTGVXAUSA-N 312.373 1.334 0 40 DDAB CNC(=O)c1cn[nH]c1[C@@H]1CCN(Cc2ccccc2OC)C1 257283156 OWXSZIVZKGWCCT-CYBMUJFWSA-N 314.389 1.767 0 40 DDAB CN1CCN(Cc2ccc(F)cc2F)C[C@@H](C(=O)N(C)C)C1 257267943 MJNMSMORYWBKRK-ZDUSSCGKSA-N 311.376 1.417 0 40 DDAB CC(=O)N1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 253398091 GMSBEZNHMXKRBI-INIZCTEOSA-N 302.422 1.209 0 40 DDAB biogenic,in-vitro Cc1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1F 257259364 KXZVIJMMAWRNRC-RDJZCZTQSA-N 322.380 1.688 0 40 DDAB Cc1cnc(C2(C)CCN(CC(=O)N3CCOCC3)CC2)s1 257259414 KYGLSEQXJQXLBN-UHFFFAOYSA-N 323.462 1.664 0 40 DDAB COc1nc(OC)nc(N2CCC(Cc3ccncc3)CC2)n1 257281771 OQXXRCXZKXZOBN-UHFFFAOYSA-N 315.377 1.743 0 40 DDAB O=C(/C=C/c1ccccc1)NCc1nccc(N2CCOCC2)n1 96120874 XQBWCNCCLQHQCH-VOTSOKGWSA-N 324.384 1.643 0 40 DDAB Cc1ccc(F)c(-c2cc(NC(=O)[C@H]3COCCN3C)n[nH]2)c1 390835555 QNSGSQONVZQREW-CQSZACIVSA-N 318.352 1.793 0 40 DDAB CC(C)(C)N1CC[C@H](CNC(=O)c2ccc(C(=O)O)cn2)C1 663125140 UNOCCCPIOPHRJI-LLVKDONJSA-N 305.378 1.630 0 40 DDAB Cc1ccccc1C[C@]1(CO)CN(Cc2cc[nH]n2)CCO1 585277397 VWVVUMAXPVXBLV-QGZVFWFLSA-N 301.390 1.524 0 40 DDAB CO[C@H]1CCCN(C(=O)CNC(C)=O)[C@H]1Cc1ccc(C)cc1 585273720 DPADGBPETDTZKK-IRXDYDNUSA-N 318.417 1.680 0 40 DDAB COc1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(C(N)=O)c1 51970506 CPMVPVHYONZLQG-RYUDHWBXSA-N 320.389 1.962 0 40 DDAB Cc1noc2ncc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc12 65436774 DFAHERLWVPXCAM-GHMZBOCLSA-N 318.377 1.370 0 40 DDAB COc1ccc2c(CC(=O)NCc3cc[nH]n3)cc(=O)oc2c1 58406457 MFLZTCPJCBWTES-UHFFFAOYSA-N 313.313 1.384 0 40 DDAB O=C(NCCC(=O)N1CCN(C2CC2)CC1)c1ccc(F)cc1 62639980 UNWHREQXHKCBFO-UHFFFAOYSA-N 319.380 1.252 0 40 DDAB C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 63194218 XZFBRKNVQAZSPF-WPRPVWTQSA-N 322.352 1.994 0 40 DDAB Fc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1 641512821 JFRJEQGHJNBLCN-UHFFFAOYSA-N 300.341 1.610 0 40 DDAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccco1)c1cccs1 40459620 DJSRVVITODRWJW-LLVKDONJSA-N 321.402 1.490 0 40 DDAB CC(C)[C@H]1CN(C(=O)C2(CS(C)(=O)=O)COC2)[C@@H]1C(C)C 1548715172 GWCWLGNBUWFXEK-CHWSQXEVSA-N 317.451 1.187 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](N=O)C(=O)OCC)c1C 5575606 CSGAZVTTZHFZEW-NSHDSACASA-N 310.306 1.689 0 40 DDAB O=C(NCCc1cc2nc(-c3ccco3)ccn2n1)c1cc[nH]n1 12221846 USJLZQJTWIXMNL-UHFFFAOYSA-N 322.328 1.685 0 40 DDAB COC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C)nc21 12397931 FSDTYXDXKMTPOK-UHFFFAOYSA-N 303.240 1.317 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H](c2cc(CN(C)C)n(C)n2)C1 19709009 APNJFYWEPPHTOI-GFCCVEGCSA-N 314.455 1.011 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1C 200041186 MCFFRMRZNLWAGY-UHFFFAOYSA-N 319.386 1.827 0 40 DDAB CC(=O)Nc1nc([C@@H]2CCCCN2S(C)(=O)=O)cs1 607853464 AXQVZFMCMGJOEH-JTQLQIEISA-N 303.409 1.588 0 40 DDAB O=C(CNC1CC1)N(Cc1nccs1)[C@H]1CC12CCNCC2 568354243 DXUDVNDBXWLSLE-ZDUSSCGKSA-N 320.462 1.366 0 40 DDAB CCc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)ncn1 1888843779 ODQKMOQHOCJCSL-UHFFFAOYSA-N 311.389 1.964 0 40 DDAB COc1cnc(N2CCC[C@H](N(C)c3ncc(C)cn3)C2)nc1 1888859890 IAECIOZPLPMWQS-ZDUSSCGKSA-N 314.393 1.689 0 40 DDAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(CC(N)=O)C1 1889084141 JHWJXDPWVBXMMR-SNVBAGLBSA-N 316.327 1.486 0 40 DDAB C[C@@H](Cl)C(=O)N1CCN(C(=O)CCOc2ccccc2)CC1 20181426 KSZRPSPLJSBFID-CYBMUJFWSA-N 324.808 1.754 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)CSc1nc(C)cc(C)n1 33210531 GZZOWPTZGLNVFS-GFCCVEGCSA-N 322.434 1.313 0 40 DDAB Cc1cccc(CS(=O)(=O)N2CC(Oc3cccnc3)C2)c1 238840266 HRRBAIJUDCRGEC-UHFFFAOYSA-N 318.398 1.983 0 40 DDAB Cn1cc(N2C[C@@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cn1 1565548917 ISMXMPVGRUQXIO-HNNXBMFYSA-N 320.368 1.268 0 40 DDAB COC1(CC(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@@H]3C2)CCC1 1565550629 CSLFGYWANRRIKN-HUUCEWRRSA-N 320.433 1.663 0 40 DDAB Cn1cnc(C(=O)N[C@@H]2CCCn3cnc(-c4ccccc4)c32)n1 2055713775 KHENMRAWOIYIBL-CYBMUJFWSA-N 322.372 1.944 0 40 DDAB C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1 6030951 RBQNDQOKFICJGL-UTBFYLPBSA-N 312.362 1.258 0 40 DDAB biogenic,in-vitro CC[C@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)CCO1 30854138 QCEFSNMEAXNBBQ-ZDUSSCGKSA-N 318.373 1.440 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(F)(F)F)c1C 6824895 SVVCEYVXZWUFSM-UHFFFAOYSA-N 320.267 1.669 0 40 DDAB O=C(Cc1cccs1)NC1CCN(c2ncccn2)CC1 40529248 VTAYNUQFZYUIOF-UHFFFAOYSA-N 302.403 1.866 0 40 DDAB NC(=O)c1cc(NC(=O)COCC(F)(F)F)ccc1Cl 40548506 AUCPPFXEXXKWLL-UHFFFAOYSA-N 310.659 1.956 0 40 DDAB COCCN1CC[C@H](CNC(=O)c2ccc(OC)cc2OC)C1 68493743 JRXJHPFRMVWEAE-CYBMUJFWSA-N 322.405 1.402 0 40 DDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccco1 2646726 DWRHMRGBAJUQHN-UHFFFAOYSA-N 319.361 1.541 0 40 DDAB CC(=O)NC1CCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 51280846 NFQZDJYXECSDAU-HOTGVXAUSA-N 301.390 1.853 0 40 DDAB COCCn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 32101963 HQDKNGFVBVJGGR-UHFFFAOYSA-N 302.355 1.860 0 40 DDAB COC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 100153054 YIOZSDQZKFERKL-TXEJJXNPSA-N 316.357 1.669 0 40 DDAB O=C(/C=C/C(=O)N1CCOCC1)N[C@@H]1CCCc2ccccc21 2621370 SXYYVWOAVJHDJT-ROJDOSBLSA-N 314.385 1.595 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCOC1 41380031 WRQKIELCPLVKDG-NSHDSACASA-N 301.346 1.008 0 40 DDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCc1ccccc1 9879892 ZHELAXYKUBNBRB-UHFFFAOYSA-N 317.370 1.643 0 40 DDAB CN1N=C(c2ccncc2)[C@@H](C(=O)c2cc(Cl)cn2C)C1=O 103263912 KIWCINBSHZTYEZ-LBPRGKRZSA-N 316.748 1.749 0 40 DDAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 22612962 LHGQFFLUAGGWAE-OAHLLOKOSA-N 320.370 1.305 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cn1 46824223 IPNCPVZVKIZRBS-NSHDSACASA-N 318.381 1.558 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)C1CCC(Cn2cnnn2)CC1 101655775 PBIWYSJSBSOPCW-JREQNMATSA-N 315.421 1.808 0 40 DDAB Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@H]1C(N)=O 53987964 BTEHZYAFAUYQPG-AWEZNQCLSA-N 315.377 1.004 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1F 54098596 JOHFEJKCVSYUDG-UHFFFAOYSA-N 319.380 1.952 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)NCCn2ccnn2)C12CCCCC2 104392140 QRVWQYMWBWIYCO-UONOGXRCSA-N 321.425 1.705 0 40 DDAB Cc1cc(C)n(CCCNC(=O)CCNC(=O)OC(C)(C)C)n1 23246637 MFZADSSDSWCVAH-UHFFFAOYSA-N 324.425 1.921 0 40 DDAB C[C@H]1CN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCO1 24031669 KLTTZZPEFMVJDP-LBPRGKRZSA-N 317.389 1.238 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 24710690 NFFOLEJMUDVNDU-UHFFFAOYSA-N 322.430 1.418 0 40 DDAB C/N=c1/ss/c(=N\C(=S)N(C)C)n1-c1ccccc1 104277115 CLWMHGBILJEHBA-KPGXXQICSA-N 310.473 1.878 0 40 DDAB CC(C)C[C@@H](N)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 102012494 LLGXVYIDBJEJNB-MELADBBJSA-N 303.406 1.167 0 40 DDAB CC(C)c1cc(N(C)CC(=O)Nc2sccc2C(N)=O)[nH]n1 75147553 GEEGJROUSDQUEF-UHFFFAOYSA-N 321.406 1.768 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)cc1 58193773 AHVNOFXYBUETAC-TZIYXEQSSA-N 322.430 1.896 0 40 DDAB NC(=O)Cn1cc(NC(=O)CCCOc2cccc(F)c2)cn1 58158125 HKOFDCRSOGZKMK-UHFFFAOYSA-N 320.324 1.305 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)c(OC)c1 3274993 CEAPWVFDZFMEQX-GQCTYLIASA-N 318.373 1.441 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCO[C@@H](C)C1 44950194 ALPHTWGZUAKHDN-NSHDSACASA-N 302.338 1.223 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)c2cc3ccccc3o2)CC1 44908121 UEKGSPLSYSUIEW-UHFFFAOYSA-N 322.386 1.587 0 40 DDAB Cc1c([C@H](C)NC(=O)NCCCN2CCCCC2)cnn1C 48290492 SKJOASFNQRHPBI-ZDUSSCGKSA-N 307.442 1.965 0 40 DDAB C[C@H]1CN(C(=O)NC[C@@H](C)N2CCc3sccc3C2)CCO1 48368944 MPLLVPFBUCYLBJ-OLZOCXBDSA-N 323.462 1.925 0 40 DDAB CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 48375041 KRCNUTGKVHTEEX-UHFFFAOYSA-N 314.382 1.457 0 40 DDAB Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1 3418709 YLTOXSDFDHHDHA-UHFFFAOYSA-N 320.370 1.709 0 40 DDAB COCCNC(=S)NC[C@H](c1ccco1)N1CCCCC1 15348576 SAKRWDYJVBIAQS-CYBMUJFWSA-N 311.451 1.917 0 40 DDAB CCOCCCNC(=O)NCC(=O)N1CCc2ccccc21 12930233 JUYDDNSNVBVKDE-UHFFFAOYSA-N 305.378 1.302 0 40 DDAB NC(=O)CCSc1ncnc2c1cnn2-c1ccc(F)cc1 13296714 YGOZIZHULDELRY-UHFFFAOYSA-N 317.349 1.922 0 40 DDAB COc1ccc(Cc2n[nH]c(NCc3cccnc3)nc2=O)cc1 5154624 FZCSCFQHZWEBFI-UHFFFAOYSA-N 323.356 1.771 0 40 DDAB CC(=O)Nc1ccc(Cl)c(NCC(=O)N2CCOCC2)c1 65493282 RGJKDUQXQONCTO-UHFFFAOYSA-N 311.769 1.569 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NCCCN1CCCCCC1=O 65453060 FVCMUIIVTHSDEM-CQSZACIVSA-N 321.425 1.364 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1nncn1C 65563145 XOOQEVZSGATCLV-YPMHNXCESA-N 300.366 1.818 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(Cl)cc1 4700657 MFGIWXMTNSWQOD-AWEZNQCLSA-N 323.824 1.557 0 40 DDAB c1cnn(C[C@H]2CN(c3ncnc4ccsc34)CCO2)c1 69376897 LWNYNSOENMEAGT-LLVKDONJSA-N 301.375 1.793 0 40 DDAB CC(C)C[C@@H](CN(C)C)NC(=O)N(C)Cc1nnc2n1CCC2 69322226 WVUQWSLZMQTKFP-ZDUSSCGKSA-N 322.457 1.342 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cccc3c1OCO3)C2 69420685 DWDLCBLYXMJBAD-UHFFFAOYSA-N 300.318 1.225 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 69488489 NTCMFUNJJRNCHM-JTQLQIEISA-N 324.764 1.939 0 40 DDAB C[C@@H]1CN(Cc2cn3ccccc3n2)CCN1Cc1nccn1C 69571140 FCDFXQDPQHUYFV-OAHLLOKOSA-N 324.432 1.774 0 40 DDAB CCN(CC(=O)NC)C(=O)CCN(Cc1ccccc1)C(C)=O 69656870 PAZWENIIUGUBIZ-UHFFFAOYSA-N 319.405 1.020 0 40 DDAB C[C@H](NC(=O)NCC(=O)NCCc1ccccc1)[C@@H]1CCCO1 69632998 VQQRKVUNRKZQTR-ZFWWWQNUSA-N 319.405 1.212 0 40 DDAB CC[C@H](C)n1ncc2c(C(=O)NCCNC(C)=O)cc(C)nc21 69618285 WBMUQOJYBVGQLV-NSHDSACASA-N 317.393 1.577 0 40 DDAB O=C(COc1ccc(F)cc1F)N1CCC[C@@H](n2cncn2)C1 69774142 AQRQJUDEBYALBT-GFCCVEGCSA-N 322.315 1.799 0 40 DDAB CN1C[C@@H](NC(=O)c2cccnc2N2CCCCC2)CC1=O 72063023 UARHMOXTSAUJQA-LBPRGKRZSA-N 302.378 1.032 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cn(C)nc1C)CC2 89986502 VOITXMSJSROMLR-KBPBESRZSA-N 307.394 1.121 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2cccc(-c3ncn(C)n3)c2)n1 96008895 NHDNMRMXNVJFCK-UHFFFAOYSA-N 310.361 1.934 0 40 DDAB Cc1nc(NC(=O)CNC(=O)Cc2cccc3ccccc23)n[nH]1 72286833 TVUZBIUCQBVJPQ-UHFFFAOYSA-N 323.356 1.564 0 40 DDAB C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)Cc1cccs1 89904267 AMBKGTUCRJISMM-NWDGAFQWSA-N 321.446 1.989 0 40 DDAB CCn1c(C(=O)N2CCN(C[C@H](C)O)CC2)cc2ccccc21 71871337 KQWYCNQKILFMIC-AWEZNQCLSA-N 315.417 1.800 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cc(C)cc3cn[nH]c23)CC1 71881049 SQGSPMZEMQAEMG-AWEZNQCLSA-N 316.405 1.400 0 40 DDAB CCc1noc(CCCC(=O)N2CCC[C@@H]2Cn2cccn2)n1 71866617 ULENVZVGMPKLND-CYBMUJFWSA-N 317.393 1.842 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(C(F)(F)F)nc1 71829674 DMKBYODRXBSAGX-PSASIEDQSA-N 315.295 1.826 0 40 DDAB Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cnn(C)c2C)c1 97113865 HJONYYQCQPOSHY-UHFFFAOYSA-N 324.388 1.934 0 40 DDAB CCOC(=O)c1cccnc1N1CCC(Cn2ccnn2)CC1 97140809 RSHBANNQAQHXLL-UHFFFAOYSA-N 315.377 1.766 0 40 DDAB Cc1cnn(C)c1C(=O)NCCCNC(=O)C1CC2(CCC2)C1 97370248 WAVRVLJEHPYEOS-UHFFFAOYSA-N 318.421 1.545 0 40 DDAB CC(=O)NC1(C(=O)N2CCC[C@@H](n3cncn3)C2)CCCCC1 75583609 BTSTVXQAMOZYOA-CQSZACIVSA-N 319.409 1.281 0 40 DDAB O=C1NC2(CCN(Cc3ccccn3)CC2)Nc2ncccc21 95347329 JMIUOXGCACSYLT-UHFFFAOYSA-N 309.373 1.624 0 40 DDAB CC(C)S(=O)(=O)c1ccccc1C(=O)NCCCC(=O)O 95389817 SOXYMGPBLOOYDU-UHFFFAOYSA-N 313.375 1.463 0 40 DDAB O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cscn1 95418186 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O[C@H](COc1ccc(F)c(C(F)(F)F)c1)CN1CCOCC1 188197729 VNQVRFIQKPFIDK-JTQLQIEISA-N 323.286 1.916 0 40 DDAB COc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1-c1nn[nH]n1 524735515 HDZRQRBJOZQHPG-SNVBAGLBSA-N 312.333 1.877 0 40 DDAB O=C(O)[C@H](Cc1c[nH]cn1)NCc1cnc(-c2ccccc2)nc1 218761376 YKOSPCOYFDYYTE-HNNXBMFYSA-N 323.356 1.652 0 40 DDAB O=C(O)Cc1cnc(COc2ccc(F)cc2Cl)[nH]c1=O 217388440 WXSPPDUNFZKTKV-UHFFFAOYSA-N 312.684 1.769 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72369499 RALNCWAMFFAXIH-LBPRGKRZSA-N 310.361 1.561 0 40 DDAB Cc1nnnn1-c1cccc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1 71288455 CFPLEETXEPJIPC-VNHYZAJKSA-N 309.373 1.913 0 40 DDAB CO[C@H](CN1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 225785619 HWGZETKGDDZUEY-LSDHHAIUSA-N 312.435 1.388 0 40 DDAB CCOc1cc(N2CCC(c3ccnn3CCO)CC2)ncn1 136035948 CAMUVSDYWFQZMO-UHFFFAOYSA-N 317.393 1.448 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 225407712 XHUPVKVROUVSKK-MISXGVKJSA-N 308.403 1.513 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 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O=S(=O)(c1cccc(F)c1)N1CCO[C@H](c2cnccn2)C1 257264286 LTSZNZSXSUBBCF-AWEZNQCLSA-N 323.349 1.378 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@@H]2c2cnccn2)on1 257344682 ZYGYZDGTWZWBCE-CYBMUJFWSA-N 302.334 1.770 0 40 DDAB Cc1cncc(C(=O)N2CCOC[C@@H](Cc3ccncn3)C2)c1 257305503 SQHYZTQDQLCEPH-AWEZNQCLSA-N 312.373 1.511 0 40 DDAB C[C@@H](C[C@H]1COCCN1)Nc1cccc(N2CCCC2=O)c1 262348586 VAWZQRCOMPPLID-ZFWWWQNUSA-N 303.406 1.992 0 40 DDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1ccc3ccccc3n1)C2 585094774 LYHMZDMIZOIRAE-ZDUSSCGKSA-N 322.368 1.528 0 40 DDAB Cc1cc(C)cc(C(=O)N2C[C@H]3ON=C(C(=O)N(C)C)[C@H]3C2)c1 585109024 ORAGHNNTEPQNSR-UONOGXRCSA-N 315.373 1.218 0 40 DDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ncccc2C)C1 585276233 DWRQCGMVXBOLFR-INIZCTEOSA-N 305.378 1.277 0 40 DDAB CCOC[C@H]1Cc2c(ncn2C)CN1Cc1cccnc1OC 585094890 SISYMSNCQYIMAP-CQSZACIVSA-N 316.405 1.787 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)N1CCO[C@@H](C(=O)O)C1 43701445 JGMLXEFJHFXELN-GFCCVEGCSA-N 313.737 1.339 0 40 DDAB O=S(=O)(NCCN1CCCCC1)c1ccc2c(c1)CCO2 46034673 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C[C@@H](NC(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 100119583 FMMXRCKZVXQYFD-WCFLWFBJSA-N 319.361 1.600 0 40 DDAB O=C1NC(N2CCN(c3ccccc3)CC2)=N[C@@H]2CCCC[C@@H]12 1718143 RQOSPVWDWCTUIB-HZPDHXFCSA-N 312.417 1.853 0 40 DDAB C[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)N1CCOCC1 40509912 UWRMBSTVCSAODK-LBPRGKRZSA-N 316.357 1.244 0 40 DDAB CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 40553613 GSOYJJCWXKSADN-GFCCVEGCSA-N 315.373 1.386 0 40 DDAB CCOC(=O)C(=O)N1N=C(C(F)(F)F)C[C@]1(O)C(C)(C)C 4009309 MCNOBMLISLPWAN-NSHDSACASA-N 310.272 1.435 0 40 DDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 208848 HXPRVMGVQYXDIN-UHFFFAOYSA-N 310.419 1.532 0 40 DDAB CCOC(=O)[C@H]1[C@@H](C)[C@H](C(=O)OCC)N(C(=O)OCC)[C@@H]1C 4804194 CORUWIWKNKXWHI-WISYIIOYSA-N 315.366 1.594 0 40 DDAB CNC(=O)c1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 32783901 SHZFKECQUIPIQH-UHFFFAOYSA-N 323.352 1.942 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NCC(F)(F)F)nnc2n1 2624548 PZUSIGRRJWZKOD-UHFFFAOYSA-N 319.312 1.512 0 40 DDAB COC(=O)c1cn(-c2ccc(F)cc2)cc(C(=O)OC)c1=O 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XERXKVXSBRVQIH-SECBINFHSA-N 319.354 1.252 0 40 DDAB COc1cc(F)c(S(=O)(=O)N2CCOC[C@@H]2C)cc1OC 26845439 XERXKVXSBRVQIH-VIFPVBQESA-N 319.354 1.252 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 108482681 XJAICVAVIVJQQD-IHRRRGAJSA-N 314.389 1.439 0 40 DDAB CC(C)(C)C1CCC(C(=O)OCC(=O)N2CCNC2=O)CC1 7605863 LLEMGDHJSCPOAT-UHFFFAOYSA-N 310.394 1.934 0 40 DDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccncc1 44716484 NWHFCQLEILZLJK-DGCLKSJQSA-N 313.423 1.223 0 40 DDAB COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(OC)cc1 44889148 BHRVSJNRMPWQDJ-UONOGXRCSA-N 307.346 1.595 0 40 DDAB C[C@]1(NC(=O)c2ccc3c(c2)CCCC3)CCS(=O)(=O)C1 44869768 AAUAKTZDRBUFTD-INIZCTEOSA-N 307.415 1.872 0 40 DDAB CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCO2)cn1 44966241 FODRUKVMDFSGOB-CQSZACIVSA-N 306.410 1.906 0 40 DDAB CC(=O)Nc1cc(Br)ccc1C(=O)OCCO 58360008 KSNJAKNYWQEBHX-UHFFFAOYSA-N 302.124 1.557 0 40 DDAB C[C@@H]1CN(C(=O)CCn2cnc3sccc3c2=O)CCO1 10670712 NYEPLPRDBRPFMT-SNVBAGLBSA-N 307.375 1.095 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)NC[C@@H]1CCCO1 48287209 DBUQFZLRZXBOSO-ZDUSSCGKSA-N 306.362 1.479 0 40 DDAB C[C@H](CNC(=O)CN1CCOCC1)c1nc2ccccc2s1 48368982 YEHHBWUBBVBCCA-GFCCVEGCSA-N 319.430 1.848 0 40 DDAB COc1ccc(CC(=O)NCC(C)(C)CN(C)C)c(OC)c1 48333367 LJDCDUCHLRDDIP-UHFFFAOYSA-N 308.422 1.950 0 40 DDAB COCCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C1CC1 48325749 PKJGJCMAFZSPSI-UHFFFAOYSA-N 318.352 1.966 0 40 DDAB CCc1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 12823204 LNIJEMRBPDSYOS-CYBMUJFWSA-N 310.419 1.859 0 40 DDAB COc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1OC 13170788 QPUCEXBJXSOSNV-CYBMUJFWSA-N 321.373 1.960 0 40 DDAB O=c1n(CN2CCc3ccccc3C2)nnn1-c1cccs1 8052768 WHLSDUKDMAKXMG-UHFFFAOYSA-N 313.386 1.506 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCC2)C1=O 8158250 FWABBDQLXBIKLQ-MRXNPFEDSA-N 301.346 1.675 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1 8165646 JTTBOSBDIALSLJ-UHFFFAOYSA-N 305.355 1.835 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H](C)N1 70076874 BNTDIJPDQLBGGM-DTORHVGOSA-N 306.790 1.850 0 40 DDAB Cc1cccc(CCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 65536938 LLPBPSOLHNTTNB-OAHLLOKOSA-N 324.446 1.325 0 40 DDAB Cn1ncc2c(Nc3ccc(N4CCOCC4)cc3)ncnc21 14205265 HJZTXCJJCKJQPQ-UHFFFAOYSA-N 310.361 1.944 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1cccc(F)c1 8395260 FKRPMYFACHFTFJ-UHFFFAOYSA-N 318.304 1.951 0 40 DDAB Cc1nn2c(=O)/c(=C/c3cccc(Cl)c3)sc2nc1=O 5575807 XONACZWVVJTRKS-POHAHGRESA-N 305.746 1.021 0 40 DDAB Cc1ccccc1C(=O)OCCc1c(C)nc2ncnn2c1O 5752634 UDLRHVATFUEVCJ-UHFFFAOYSA-N 312.329 1.846 0 40 DDAB COc1ccc(-c2noc(=O)n2Cc2cc(C)no2)cc1OC 69564383 HQUYCPKUPGHIIV-UHFFFAOYSA-N 317.301 1.865 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@H](C)O[C@@H](C)C3)cnc12 17327823 KOPOUPYOGSBIIT-STQMWFEESA-N 315.373 1.341 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007526 IGSDPJTVMMXVKN-CQSZACIVSA-N 322.361 1.201 0 40 DDAB C[C@H](O)CN1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 69627750 NEOQENGAVGMGGG-UONOGXRCSA-N 316.405 1.796 0 40 DDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCc2ccccc21 8993886 XYKIEEAZFIMQLM-UHFFFAOYSA-N 311.297 1.686 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)c1 71186012 KNDCTDZTCMRGLM-CYBMUJFWSA-N 310.361 1.712 0 40 DDAB COC(=O)CNC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 71185810 WUUVIAJTUCOREE-QMMMGPOBSA-N 305.252 1.762 0 40 DDAB OCCN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 19406826 FNJSNHDAJOXDGA-UHFFFAOYSA-N 318.446 1.684 0 40 DDAB O=C(NCCN1CCOCC1)Nc1cccnc1N1CCCC1 89773252 DKJHACAYGHOPTA-UHFFFAOYSA-N 319.409 1.136 0 40 DDAB CC(C)c1nccc(-c2nccn2CC2(O)CCN(C)CC2)n1 72172367 NBWFZQIWCGTTKF-UHFFFAOYSA-N 315.421 1.920 0 40 DDAB CCOC(=O)c1cnn(CCc2nc3ccccc3c(=O)[nH]2)c1 96008344 DBSAEWHJBAQRSU-UHFFFAOYSA-N 312.329 1.539 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 71796827 XDZGFAQQCPWGDO-OAHLLOKOSA-N 301.394 1.987 0 40 DDAB COCCOc1ncccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 71795639 XJZLRVLCUFWMPM-AAEUAGOBSA-N 309.366 1.796 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3c(C)noc3C)CC2)nn1 72279591 HSNXFZPTRYAPSP-UHFFFAOYSA-N 315.377 1.742 0 40 DDAB CCN(CC)C(=O)CNC(=O)N[C@H]1CCN(c2ccccc2)C1 72270194 PXWUTQOUHPIRRH-AWEZNQCLSA-N 318.421 1.433 0 40 DDAB Cc1cc(C)cc(-n2nc(C(=O)O[C@H](C)C(N)=O)cc2C)c1 97037906 OQPGAKRMFUMUHO-GFCCVEGCSA-N 301.346 1.828 0 40 DDAB CC(=O)N[C@@H](C(=O)N[C@H]1CCc2nccn2C1)C1CCCC1 97197779 IEVVJAZGKVFYGR-DZGCQCFKSA-N 304.394 1.009 0 40 DDAB CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnn(CC)c1 72300147 JETVWDGJDWAEPY-CHWSQXEVSA-N 312.439 1.150 0 40 DDAB O=S(=O)(c1c[nH]cn1)N1CCC[C@H]1C[C@H](O)c1ccccc1 95433314 YETRDBKUBWKWIH-KBPBESRZSA-N 321.402 1.687 0 40 DDAB O=C1CN(C(=O)NC[C@H]2C[C@]23CCCc2ccccc23)CCN1 95414421 URPHOHREDSAFRP-RDTXWAMCSA-N 313.401 1.422 0 40 DDAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)CCNC(=O)N(C)C 95456695 LHVVGPPIGZPOJA-CQSZACIVSA-N 321.421 1.882 0 40 DDAB Cc1nc(C(=O)OCCN2C[C@H](C)O[C@@H](C)C2)c2n1CCCC2 95971999 ZNYLEZAUMQCWHZ-STQMWFEESA-N 321.421 1.794 0 40 DDAB CCc1ocnc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78901405 NWGAMPBKUSBRJM-VIFPVBQESA-N 317.349 1.079 0 40 DDAB CCN(CC)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230658 QLUFPOBSEWALDS-UHFFFAOYSA-N 314.407 1.330 0 40 DDAB O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cnc[nH]1 79022356 ITHWWXLPJRGJKV-NSHDSACASA-N 304.737 1.598 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@H]1c1cccc(F)c1 61718633 BTJKRLAZGGJILR-ZYHUDNBSSA-N 320.349 1.835 0 40 DDAB COC(=O)/C(=C\N(C)C)S(=O)(=O)c1cc(F)c(F)cc1F 67172828 ZOHBBUUYGKCNSA-IZZDOVSWSA-N 323.292 1.454 0 40 DDAB COCCNC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640269 FNEGSVKLOMYUQV-NSHDSACASA-N 306.284 1.684 0 40 DDAB C[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)OCc1ccccc1 79412720 GVYJKXAUPTUPLV-ZFWWWQNUSA-N 319.405 1.641 0 40 DDAB CC(=O)c1cccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)c1 70842350 MXCJTZCXWZDMAN-UHFFFAOYSA-N 324.340 1.390 0 40 DDAB Cc1ccc(C(=O)NC2(c3ncon3)CCOCC2)cc1F 184049978 UDGICHSSOXEXTC-UHFFFAOYSA-N 305.309 1.953 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)NCc1c(C)nn(C)c1C 72240456 HDIPAZDBDCJLQX-UHFFFAOYSA-N 303.410 1.636 0 40 DDAB CNc1nccc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 72368569 SIUZSQQRPMMNPK-ZDUSSCGKSA-N 300.366 1.619 0 40 DDAB O=C(Nc1ccc(F)cn1)c1cnc([C@H]2CCCNC2)cn1 72365686 NITDGYHRMUNKRR-JTQLQIEISA-N 301.325 1.730 0 40 DDAB CN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@@H](CN)C1CC1 564953549 FTVRFRAAFHPMDY-NSHDSACASA-N 304.316 1.645 0 40 DDAB Cc1csc(N2CCN(C(=O)C[C@H]3CCCNC3)CC2)n1 566688884 KKQBAIQAWIVIOA-CYBMUJFWSA-N 308.451 1.490 0 40 DDAB CC[C@@H](C(=O)O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 191426111 QYLMJKZJEKOZKJ-AWEZNQCLSA-N 323.368 1.245 0 40 DDAB Cc1cc(NC(=S)NCCN2CCOCC2)ncc1Cl 223892227 UFFUOFITZRBEHE-UHFFFAOYSA-N 314.842 1.662 0 40 DDAB CC(C)CN1C[C@@H](C(=O)Nc2cc(C(=O)O)cs2)CC1=O 568466732 QDOWIIBHSRKYQC-VIFPVBQESA-N 310.375 1.889 0 40 DDAB NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(N)c1 225439737 AOTZVIBTNOLQLJ-UHFFFAOYSA-N 310.401 1.690 0 40 DDAB CN(C)c1noc([C@@H]2CCCN2C(=O)c2ccncc2F)n1 225426446 DEGODIFNQOGMCP-NSHDSACASA-N 305.313 1.647 0 40 DDAB Cc1nn(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c1Cl 96402425 LVEUFJRCCLLDPA-JTQLQIEISA-N 301.774 1.769 0 40 DDAB CCS(=O)(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 96052505 YSSFLPSMJOKMEE-UHFFFAOYSA-N 308.403 1.346 0 40 DDAB Cc1cc(CN2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1 96215338 BQHZVIHKZVZBJV-IACUBPJLSA-N 304.350 1.506 0 40 DDAB O=C(NC1CCC1)[C@@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 96239505 YBUGKAYYXWHWGI-LBPRGKRZSA-N 304.346 1.322 0 40 DDAB COCC(=O)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040457 ZWQZMFYEXQAJCZ-WMLDXEAASA-N 320.389 1.505 0 40 DDAB O=C1CCCN1[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21 96040612 AICMRZDSWBYDKP-GUTXKFCHSA-N 302.378 1.083 0 40 DDAB Fc1cnc(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)nc1 96045820 AIAXLSLNDZVFBV-ZMLRMANQSA-N 317.324 1.843 0 40 DDAB CCN(CCN[C@@H]1CCCS(=O)(=O)C1)c1ccccc1C 97230733 HQCTVCZLBDOTNJ-OAHLLOKOSA-N 310.463 1.988 0 40 DDAB CC[C@@H](c1ccc(F)cc1F)N1CCN(CCC(N)=O)CC1 96435782 LXFJYQGDGYQSAE-HNNXBMFYSA-N 311.376 1.909 0 40 DDAB COc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2C[C@H]2CCCO2)cc1 242722951 XZKFTDREKPHAIA-IIAWOOMASA-N 319.357 1.848 0 40 DDAB CCN1CC[C@H](N(C)S(=O)(=O)C2CCOCC2)C[C@H]1C 245344103 XNMXHWWGRQEBCL-OLZOCXBDSA-N 304.456 1.300 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2ccnn2C)n1 257281351 OOUHXMVUPLRKFY-HNNXBMFYSA-N 314.393 1.183 0 40 DDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2Cc2nccn2C)n1 257291978 QJMAHYLURYPLNT-ZDUSSCGKSA-N 316.409 1.158 0 40 DDAB O=C(c1cncs1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257341690 ZLKZDURRZKQILK-LLVKDONJSA-N 320.374 1.113 0 40 DDAB CN1CCC(Cc2cnc(CNC(=O)c3c[nH]cn3)cn2)CC1 257271440 MYIPCLPKMSZMTN-UHFFFAOYSA-N 314.393 1.014 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CC[C@@](O)(CN2CCCC2)C1 257202170 AKTHDENHKBMWGM-MRXNPFEDSA-N 324.446 1.049 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3cccn3C)CCO2)c1 257343865 ZURVCVISOMNYAF-MRXNPFEDSA-N 314.389 1.984 0 40 DDAB COCCN1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 257221707 DQEYHFGRJULVSX-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB CCN(CC)C(=O)CN1CCNC[C@H]1c1ccc(OC)cc1 257245289 IOVQGABANPYTSM-INIZCTEOSA-N 305.422 1.510 0 40 DDAB Cc1nc(C(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)co1 257260308 LCGYWKIFVYMSMN-HNNXBMFYSA-N 315.377 1.812 0 40 DDAB COCCCNC(=O)[C@@H](C)n1cc(COc2ccccc2)nn1 257173179 FUCIQYOBFWAHNG-CYBMUJFWSA-N 318.377 1.571 0 40 DDAB Cc1cc(N(C)C)nc([C@H]2COCCN2Cc2cscn2)n1 257293294 QOXUTSCBTFVHNE-CYBMUJFWSA-N 319.434 1.881 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2c(C)n[nH]c2C)n1 257281606 OQCHMHPJKWFJHG-AWEZNQCLSA-N 317.393 1.591 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575404138 MMBDRTGNYPTTRG-ZDUSSCGKSA-N 308.403 1.583 0 40 DDAB CN(C)C[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 585093679 LVCCUUMHCNJRHG-ZDUSSCGKSA-N 304.390 1.575 0 40 DDAB CC(C)N1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 585111782 BSQWUYNZYRPPHB-AWEZNQCLSA-N 305.426 1.844 0 40 DDAB O=C(CN1CCC[C@]2(CCC(=O)O2)C1)NCc1cccc(F)c1 585282778 HUJWMAIIQMLUKF-KRWDZBQOSA-N 320.364 1.614 0 40 DDAB Cn1nc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1=O 43549347 ACFDVEHCPLVXAS-QGZVFWFLSA-N 320.352 1.695 0 40 DDAB O=C(NC[C@@H]1COCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 55847827 IAOMLWYUSALZPZ-CABCVRRESA-N 324.421 1.089 0 40 DDAB Cc1cnn(C[C@@H](C)NCc2ccc(OCC(N)=O)cc2)c1 69463532 GVEDLDFDPRHKLO-CYBMUJFWSA-N 302.378 1.234 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(-c3cccs3)no1)C2 69599177 RACMSYBJSMFWNO-UHFFFAOYSA-N 316.390 1.968 0 40 DDAB C[C@H]1CN(C[C@H](O)c2ccccc2)CCN1Cc1nccn1C 69598216 IAVWJPCIVUYSCI-RDJZCZTQSA-N 314.433 1.660 0 40 DDAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCC2(CC1)CNC2 1548567223 VVQVWKWIQUXFPW-UHFFFAOYSA-N 315.373 1.998 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c1 70004454 SOGMIIUKQCNXCN-ARFHVFGLSA-N 313.405 1.720 0 40 DDAB CN(C)CCNC(=O)COc1ccc(Br)cc1 1895650 KUOPCQIFGJFEJB-UHFFFAOYSA-N 301.184 1.506 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 1548448212 VSGZJOHQSVPQSO-GXTWGEPZSA-N 305.309 1.197 0 40 DDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2cc(C)nn2C)c1 11384012 CDGKSIBRNVCYKC-UHFFFAOYSA-N 304.306 1.055 0 40 DDAB O=C1NC(=O)C([C@@H](c2ccccc2)c2ccc(F)cc2)C(=O)N1 5604236 BERIJZCUAPSUTR-ZDUSSCGKSA-N 312.300 1.940 0 40 DDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(C)CC1)CS2 14031883 UBXMBXBJSRXREX-LBPRGKRZSA-N 307.419 1.847 0 40 DDAB CC(C)(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1 23127404 OQXUCZXONRETIJ-UHFFFAOYSA-N 309.454 1.672 0 40 DDAB CN(CC1CN(c2ncnc3ccsc23)C1)C(=O)C1CC1 1888844201 XYYZVFLYIABCKW-UHFFFAOYSA-N 302.403 1.996 0 40 DDAB Cn1nc(C2CCN(c3ncncc3F)CC2)n(C2CC2)c1=O 1888853165 HAYIYOQAVFUOST-UHFFFAOYSA-N 318.356 1.230 0 40 DDAB Cc1cnccc1OCC1CCN([C@H]2CCCNC2=O)CC1 1889061987 APZBNBVUSQBHOX-HNNXBMFYSA-N 303.406 1.759 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCCO1 28327725 CEFIKHKFGHIEIA-IUCAKERBSA-N 319.404 1.381 0 40 DDAB CN1C[C@@]2(COCC1=O)CN(C(=O)CCC1CCCC1)CCO2 2037985180 ZWQAUEPRSGGTIP-KRWDZBQOSA-N 324.421 1.043 0 40 DDAB Cc1ncsc1CN1C[C@H]2CC[C@@H](N=c3cncc[nH]3)[C@H]2C1 2037846846 ZTQSWPHBNRMGDT-HZSPNIEDSA-N 315.446 1.986 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2sc(C)nc2C)CC12CCOCC2 2056225465 MNEGHIUSPGSAAM-ZDUSSCGKSA-N 323.462 1.735 0 40 DDAB c1ccc(-c2ccnc(N3CCN(c4ncccn4)CC3)n2)nc1 2086968351 HYFZNCMIWGQLLN-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB Cc1cnc(C)c(OC2CCN(Cc3nnc(C)o3)CC2)n1 2087124851 BTTCEJHQZWHFFD-UHFFFAOYSA-N 303.366 1.828 0 40 DDAB CN(C)CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2C1=O 1565544442 KZKFKWVTPNBFJX-VKJFTORMSA-N 319.449 1.211 0 40 DDAB O=C1NCCN1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 575611553 WSRNRBCCMPFXRD-JTQLQIEISA-N 321.358 1.776 0 40 DDAB CC(=O)Nc1cccc(CN2CC[C@H](CN3CCOCC3)C2)c1 96424590 TXMJSOBTPZLLMX-QGZVFWFLSA-N 317.433 1.799 0 40 DDAB CCCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 40161266 BUSGSJMPUSRZGC-INIZCTEOSA-N 305.422 1.987 0 40 DDAB Cc1sc(-c2ccco2)nc1C(=O)NCCN1CCOCC1 40497418 RSXKFMWSERRBRG-UHFFFAOYSA-N 321.402 1.774 0 40 DDAB Cc1cccc(C2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCC2)c1 40490115 IAZVHTORIOFOFW-CQSZACIVSA-N 307.415 1.720 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)COc1ccc(Cl)cc1 11120901 VFFKFJKYKDNGIM-UHFFFAOYSA-N 320.780 1.915 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnsn1 151284 YOIAJSYBKDNSKB-UHFFFAOYSA-N 323.330 1.594 0 40 DDAB Cc1ccc([C@](C)(O)CNC(=O)C2(O)Cc3ccccc3C2)o1 81833636 DDXZPITXFYRSPB-QGZVFWFLSA-N 315.369 1.442 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1c2ccccc2C[C@H]1C(N)=O 69351506 RDEKEKRRDLGWLO-XPTSAGLGSA-N 313.357 1.838 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)NCCCn1cncn1 45742763 LQJCIUIFFRJQKL-UHFFFAOYSA-N 314.798 1.609 0 40 DDAB CCN(CC(=O)NC)S(=O)(=O)C1=Cc2ccccc2CC1 40520577 HNMWVXKUPRUUFZ-UHFFFAOYSA-N 308.403 1.371 0 40 DDAB CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 40526999 LFFCMCQCRAGLNP-RYUDHWBXSA-N 305.378 1.616 0 40 DDAB O=C1O[C@@H](C(=O)NC[C@@H]2Cc3ccccc3O2)Cc2ccccc21 32006857 CDWYAVUUJOYRSO-WMLDXEAASA-N 323.348 1.888 0 40 DDAB CCOCc1ccccc1CNC(=O)N[C@@H](C)c1nncn1C 46177470 VHQVEUHZFIPCCA-LBPRGKRZSA-N 317.393 1.912 0 40 DDAB O=C(CS(=O)(=O)Cc1cccc(F)c1)NC[C@@H]1CCCO1 46108817 CEORTNMQHFZSJQ-ZDUSSCGKSA-N 315.366 1.036 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 6707185 ZPULMZCKQMKSRL-VHSXEESVSA-N 302.371 1.407 0 40 DDAB O=S(=O)(NCCCN1CC=CC1)c1cncc(Cl)c1 101782147 ICOFHDTXKCATQP-UHFFFAOYSA-N 301.799 1.275 0 40 DDAB CC(C)CNc1c(N2CCN(c3ccccn3)CC2)c(=O)c1=O 101712579 OOQOGQMQUDVUGZ-UHFFFAOYSA-N 314.389 1.072 0 40 DDAB CCOC(=O)COc1ccc(Oc2cc(C)nc(Cl)n2)nn1 2027543 YCYPWQJGSILAPD-UHFFFAOYSA-N 324.724 1.963 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)s1 29784775 JDKIHJVXIIGBTJ-JTQLQIEISA-N 304.379 1.492 0 40 DDAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCC(=O)N2)cc1 2644812 ILOLBQDOLNSJNG-MFKMUULPSA-N 304.346 1.398 0 40 DDAB NS(=O)(=O)CCNc1ncnc2sc3c(c12)CCCC3 52356977 DRPNPYTUKOVZKR-UHFFFAOYSA-N 312.420 1.271 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C1 41129039 GQCZYHXFRKYJKT-YEZKRMTDSA-N 318.764 1.335 0 40 DDAB O=C(NCc1ccncc1)C1CCN(C(=O)N2CCCC2)CC1 60489270 SLICYOPEJYWQCJ-UHFFFAOYSA-N 316.405 1.626 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 100179773 YYWXQLYAGFRUQP-ARMQCYDYSA-N 309.321 1.973 0 40 DDAB Cc1cccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)c1 9288441 CLRVOKSGSUXADY-GHMZBOCLSA-N 308.359 1.008 0 40 DDAB Cc1cc(CNC(=O)c2c(C)c(C)nn(C)c2=O)ccc1F 102833187 GSBRBZWZARUHPA-UHFFFAOYSA-N 303.337 1.775 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 8394132 FHMLSCGQINODKG-VXGBXAGGSA-N 310.419 1.713 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 52051070 CDLGLJGSKSFIKQ-UHFFFAOYSA-N 324.446 1.503 0 40 DDAB CN(C[C@H](Cc1ccccc1)NC(=O)C1CC1)C(=O)C1CC1 75140394 MZDAKKIZYDMMTA-INIZCTEOSA-N 300.402 1.992 0 40 DDAB O=C(NCCCn1cncn1)c1ccc2c(c1)OCCCO2 41862650 HHJZRSXNDDLOOX-UHFFFAOYSA-N 302.334 1.260 0 40 DDAB CCc1ccc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)o1 42394742 XDQPLXXODMZVAJ-UKRRQHHQSA-N 322.405 1.309 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1cccc(C[S@](C)=O)c1 42368264 RMLUVTHXMPAFTK-XUSGNXJCSA-N 305.403 1.580 0 40 DDAB Cc1nn(C)c2ncc(C(=O)NCc3nnc4ccccn34)cc12 23750020 SEBBLQWTAPKNNT-UHFFFAOYSA-N 321.344 1.249 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@H]3CCCC[C@@H]31)C2 69464530 CMRVDZRLYKUCSZ-CABCVRRESA-N 317.437 1.583 0 40 DDAB Cn1cc(CCNC(=O)N[C@H]2CCOc3ccccc32)cn1 43165167 WNTGMXKPQRMWBU-AWEZNQCLSA-N 300.362 1.786 0 40 DDAB CC(=O)N(/C=C1\N=C(c2ccccc2)OC1=O)C1=NCCS1 1392415 PXERYLKVUDWTED-XFXZXTDPSA-N 315.354 1.783 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccc[nH]c1=O)c1cccs1 25086729 CLTMAKSRCSKHJK-SNVBAGLBSA-N 306.343 1.471 0 40 DDAB Cc1cc2ncn(C[C@H](O)CSc3nnnn3C)c2cc1C 71948345 STRYSMPJHLAKTM-NSHDSACASA-N 318.406 1.330 0 40 DDAB CCCn1cc(NC(=O)c2ccc(N(C)C)nc2)ccc1=O 56080397 NDPPVSVTHUYJQZ-UHFFFAOYSA-N 300.362 1.972 0 40 DDAB Cc1nnc2ccc(N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)nn12 107585669 NBEOJXOJIDOHHN-SOUVJXGZSA-N 312.421 1.743 0 40 DDAB C[C@@H](CNS(=O)(=O)N1CCCCC1)N1CCc2ccccc21 26848113 NLZZKJNHDTTZBE-AWEZNQCLSA-N 323.462 1.758 0 40 DDAB Cc1cc(OC(=O)Cn2ccc(=O)n(C)c2=O)cc(C)c1Cl 44558552 BEGMOVNXGZVHTL-UHFFFAOYSA-N 322.748 1.423 0 40 DDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1cccs1 44867592 MUSIDDCHFMQJSN-LLVKDONJSA-N 316.448 1.175 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2cnccn2)CC1 44975212 IKTGMHKSMCGXAG-NSHDSACASA-N 300.366 1.620 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 12794367 AZZAZMODHIBWFK-WDEREUQCSA-N 318.373 1.570 0 40 DDAB c1ccc([C@H](CNc2ncnc3[nH]ncc23)N2CCOCC2)cc1 48325402 XQUCCVONTNQXJE-HNNXBMFYSA-N 324.388 1.838 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 69522536 TWYLRPGZTKATRY-ZDUSSCGKSA-N 321.396 1.955 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3cccc(O)c3)[C@H]12 4027575 OYYQTTDHEHANDY-KNDHEWATSA-N 304.350 1.074 0 40 DDAB biogenic O=C(NCCN1CCCCC1)C(=O)Nc1ccc2[nH]ccc2c1 13625106 MCDNUNOLXLNDTA-UHFFFAOYSA-N 314.389 1.709 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69771552 GEURKOXCQCZOPH-HIFRSBDPSA-N 312.454 1.353 0 40 DDAB COC(=O)c1ccc(NCc2ccc(N3CCCC3)nc2)nn1 69770882 XYGADYZAPLZMPQ-UHFFFAOYSA-N 313.361 1.871 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)C2 69778323 NMALJVRFNWNQJV-STQMWFEESA-N 322.409 1.328 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)NCCN2CCOCC2)cc1 69846190 AETUEHRHFBHKRP-AWNIVKPZSA-N 310.419 1.217 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN(CCN3CCCC3=O)C2)n1 69846386 XCSGORKNFJOPIH-OAHLLOKOSA-N 305.426 1.229 0 40 DDAB Cc1nc[nH]c1C(=O)N1CC2(C1)OCC[C@H]2CCOCC1CC1 306123788 AWQHXUHIDPXXSP-CQSZACIVSA-N 319.405 1.766 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C 5517815 SHADEFLPOHVCNW-CQSZACIVSA-N 304.346 1.813 0 40 DDAB Cn1c(=O)c2nc(Oc3ccccc3Cl)n(C)c2n(C)c1=O 8716899 SOLMYTWVNJYBLJ-UHFFFAOYSA-N 320.736 1.416 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1ccccc1 7000672 OYGCLAAKJTXXFR-JTQLQIEISA-N 324.388 1.743 0 40 DDAB O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccccc1F 70958124 SBFDKDSJZWLWFT-ZDUSSCGKSA-N 309.362 1.708 0 40 DDAB C[C@@H](C(=O)Nc1ccccn1)n1c(=O)[nH]c2ccccc2c1=O 8994244 BJRQPECLKLLNAO-JTQLQIEISA-N 310.313 1.285 0 40 DDAB COCCN1CCN([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1C 70040024 YJXRKXBRXKYJNR-CVEARBPZSA-N 311.470 1.430 0 40 DDAB CCOC(=O)c1cnc(SCC(=O)NCC(C)C)nc1N 9316989 BEWAGHSCFBYFFX-UHFFFAOYSA-N 312.395 1.100 0 40 DDAB C[C@](O)(CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1 71859927 SATDXCPSXXKDKA-WMZOPIPTSA-N 312.417 1.943 0 40 DDAB c1cn(C[C@@H]2CCCN(Cc3cc4n(n3)CCNC4)C2)cn1 72172527 GWAMRIZJUQBSGE-CQSZACIVSA-N 300.410 1.095 0 40 DDAB COCCNC(=O)[C@@H]1CS[C@H](c2ccc(C)cc2)N1C(C)=O 9846079 NXXBVDHKUNIWFG-GOEBONIOSA-N 322.430 1.720 0 40 DDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)C2CCOCC2)n1 84114742 IQEKDCGMEOCSDK-UHFFFAOYSA-N 315.377 1.953 0 40 DDAB CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cccn2C)CC1 89885230 KHZUIAVZAATTRM-UHFFFAOYSA-N 320.437 1.086 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCCO1 72282375 QMVDGLWMJYFMAC-MCIONIFRSA-N 302.440 1.054 0 40 DDAB CCc1nc([C@@H]2CCCN2CC(=O)N(C)c2nccs2)no1 72279379 XWRXAGJKYWYIGA-JTQLQIEISA-N 321.406 1.888 0 40 DDAB Cc1cc(C)n(CC2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 72267546 WNTSXJOKTFEEOI-QGZVFWFLSA-N 317.437 1.470 0 40 DDAB O=C(Nc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 97000304 WQOBMYXIHGLECA-HNNXBMFYSA-N 323.352 1.325 0 40 DDAB Cc1cccc(NC(=O)C(=O)N[C@H](CCO)c2ccccc2)n1 97117464 FBGXNNFYMSKIGG-CQSZACIVSA-N 313.357 1.568 0 40 DDAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3nc(=O)[nH][nH]3)C2)n1 72300321 NODVHDFMVMAHAY-SECBINFHSA-N 321.406 1.698 0 40 DDAB C[C@H](CO)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 97204292 PARUENXAOANPHM-LLVKDONJSA-N 306.362 1.227 0 40 DDAB C[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)c1cccs1 89901015 MMLNMYWAHPJCDY-GHMZBOCLSA-N 316.448 1.728 0 40 DDAB CCOc1ncccc1CNC(=O)NC[C@H](C)N1CCCC1 89988823 UXHBKSHBHXAEAT-ZDUSSCGKSA-N 306.410 1.764 0 40 DDAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(CCO)CC1 75572305 MHGXZWBCACYODC-UHFFFAOYSA-N 317.311 1.159 0 40 DDAB O=C(NCCn1ccnc1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 95461276 QOCFRTIUAMBYRK-UHFFFAOYSA-N 324.344 1.028 0 40 DDAB CC(C)c1nsc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1 95408534 CIHGBTLGVRNLKL-SNVBAGLBSA-N 318.468 1.427 0 40 DDAB CCNc1ncc(C(=O)Nc2n[nH]c(N3CCCCC3)n2)s1 95429485 FQCPHWGTNWRQMU-UHFFFAOYSA-N 321.410 1.936 0 40 DDAB CCOc1nnc(CN2CCc3nn(CC)c(=O)cc3C2)s1 76064493 NMUBGVFRHONVOW-UHFFFAOYSA-N 321.406 1.072 0 40 DDAB O=C(NCC[S@](=O)c1ccccc1F)[C@@H](O)c1ccccc1 73766403 XTJVQIWPAXHODB-OYHNWAKOSA-N 321.373 1.783 0 40 DDAB Cc1nn(C)c(C)c1C(=O)OCCCc1nc2ncccn2n1 89505639 NNTVLKMSPCTVAE-UHFFFAOYSA-N 314.349 1.264 0 40 DDAB NCCN[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 32559950 HWVBWCUNSKRBJQ-VIFPVBQESA-N 320.176 1.324 0 40 DDAB Cc1nn(CCC(=O)NCCCO)c(C)c1Br 32648206 DCOUAEXYGDFKOH-UHFFFAOYSA-N 304.188 1.151 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217408608 AGALLILGHDSXGI-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB CC(C)C[C@H](CNC(=O)[C@H](N)Cc1cccs1)CC(=O)O 34041333 XSGOEHBYNHYUSZ-WCQYABFASA-N 312.435 1.871 0 40 DDAB NCC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 79412227 ZVLICLNVCTXJQR-CQSZACIVSA-N 305.378 1.110 0 40 DDAB Cc1cc(OCC(=O)NC(=O)NCc2ccccc2)nnc1C 78613857 CARBELLEHOXINZ-UHFFFAOYSA-N 314.345 1.498 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Oc1ccc2c(c1)ncn2C 70974612 RSLASNROXMZCAO-UHFFFAOYSA-N 307.331 1.946 0 40 DDAB COC(=O)c1ccc(NC(=O)CCNc2ncccn2)cc1 45762697 TXYNCCKUXOQRGI-UHFFFAOYSA-N 300.318 1.704 0 40 DDAB Cc1cc(C)c(C(=O)O)cc1NC(=O)[C@H]1CCCS1(=O)=O 566925738 CWVOFUZIZNWHAR-GFCCVEGCSA-N 311.359 1.517 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 48363864 XQLDDNODBPSLRV-SUMWQHHRSA-N 320.389 1.701 0 40 DDAB Cc1cc(N(C)C)nc(CNC(=O)COc2ccccc2)n1 224186492 JPSPCUPXSPNCDJ-UHFFFAOYSA-N 300.362 1.546 0 40 DDAB COC(=O)[C@@H](c1ccccc1C)N1CCC[C@@H](CC(N)=O)C1 195565831 JULNUSCBUSORAY-XJKSGUPXSA-N 304.390 1.797 0 40 DDAB COc1ccc(C)cc1CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 331443158 XUQIVHHRFMYXBA-CFVMTHIKSA-N 316.401 1.672 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)C2CC2)C12CCCC2 96419407 NWSBLHHHZSLRPM-ZIAGYGMSSA-N 308.422 1.709 0 40 DDAB CCOC(=O)c1c(CC)nn(C[C@H](O)c2ccccc2)c1N 98211177 AWNUSPYOZOMPJR-ZDUSSCGKSA-N 303.362 1.938 0 40 DDAB c1cnc(N2CCO[C@@H]3CN(Cc4ccco4)C[C@@H]3C2)nc1 96082320 JGSDEJITRXRDFL-UKRRQHHQSA-N 300.362 1.407 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2c[nH]cn2)n[nH]1 95480456 LIOMXWCUKBIBKH-UHFFFAOYSA-N 313.365 1.123 0 40 DDAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 96183107 FMKQJMXMULAEPO-OWCLPIDISA-N 323.462 1.574 0 40 DDAB CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 230481110 AAZKJJBFTWUBOI-IMJJTQAJSA-N 318.417 1.558 0 40 DDAB COCCN1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 96040056 XMFITNAHAOLRIU-IAGOWNOFSA-N 306.406 1.978 0 40 DDAB COc1cc(C)n(CCNC(=O)c2c(F)cccc2F)c(=O)c1 238865605 LRXQQZDVAAXELP-UHFFFAOYSA-N 322.311 1.874 0 40 DDAB CN(C)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCCO[C@H]12 96185763 UQCRKLURBCPALZ-INMHGKMJSA-N 306.381 1.688 0 40 DDAB Cc1ccc(CN2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)o1 96050519 GLWHDZBLJCSKSE-KRWDZBQOSA-N 314.389 1.951 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96229026 INLJSZCLEMXNKN-KRWDZBQOSA-N 318.421 1.682 0 40 DDAB CN(C)C(=O)N[C@H]1CN(Cc2cccc(F)c2)[C@@H]2CCCO[C@H]12 96186847 ALNXTSOXVZQAQH-ARFHVFGLSA-N 321.396 1.829 0 40 DDAB CN(C)[C@H]1COC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96158635 ZPVNFBWIKSQJLQ-OAHLLOKOSA-N 303.406 1.336 0 40 DDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1CC1)C2 96238199 XKOMAMQNFMSVMU-MRXNPFEDSA-N 319.430 1.408 0 40 DDAB CCC[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1nnn[nH]1 96466431 PPLLJYBLZXLZAV-QMMMGPOBSA-N 314.271 1.885 0 40 DDAB NC[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242648308 QRJAPCLRNUHVBA-XHSDSOJGSA-N 320.389 1.422 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(N3CCCC3)cn2)C1 257290782 QEIARRVHHBBKTK-GFCCVEGCSA-N 310.423 1.216 0 40 DDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)c2cscn2)C1 257318150 VMRUSQVMFHLALR-JTQLQIEISA-N 303.391 1.610 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(N2CCOC2=O)n1 257309585 UBMCPGLIUPHYIQ-LLVKDONJSA-N 311.363 1.135 0 40 DDAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](O)C1 269771911 HQXGOALPSXFBOD-SSDOTTSWSA-N 313.272 1.600 0 40 DDAB NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 390822629 FGZRECCHEMKXCP-UHFFFAOYSA-N 306.128 1.530 0 40 DDAB COc1ccc(Br)cc1[C@@H](NC(N)=O)C(=O)O 96102792 HDBGEKSXHBGQNQ-MRVPVSSYSA-N 303.112 1.252 0 40 DDAB CC[C@@H](C)N1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099377 HSLCCVONXWKXPV-CXAGYDPISA-N 303.406 1.613 0 40 DDAB CN(CCCOc1ccccc1F)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280529 JWGJKGRRUCLSPB-KYOSRNDESA-N 310.369 1.151 0 40 DDAB Cc1c(CN2Cc3ccnn3CC[C@H]2CN(C)C)cnn1C 585096956 FZAVBLPMJWOLFJ-HNNXBMFYSA-N 302.426 1.261 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cccnc2)c1 44867417 YJJCVJFENKGHJZ-UHFFFAOYSA-N 322.386 1.920 0 40 DDAB CCCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(N)=O)cc1OC 56161894 DZBFCSXEPWMTQE-WDEREUQCSA-N 323.393 1.718 0 40 DDAB CCNC(=O)N1CCN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 68251817 KOKVNAFWVIQVJR-NSHDSACASA-N 321.425 1.014 0 40 DDAB CC1CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1 1551557417 FBRIUNKBWFTQST-CHWSQXEVSA-N 305.344 1.970 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@H](C)CO)C2)cc1 84148619 YFTYAOLZRISNGR-HOCLYGCPSA-N 318.417 1.592 0 40 DDAB CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cn(C)cn1 80941194 VJWLYIMWLMCHPV-UHFFFAOYSA-N 309.347 1.482 0 40 DDAB CCN(C[C@H]1CN(c2nccs2)CCO1)c1cccnn1 1548449053 UQUDOHKDWQLRSS-LBPRGKRZSA-N 305.407 1.665 0 40 DDAB COCC(=O)Nc1cc(C)cn(Cc2ccc(F)cc2)c1=O 5000867 KHJDZRMPBDLKBM-UHFFFAOYSA-N 304.321 1.929 0 40 DDAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCN1CCOCC1 14400064 VKYCQGVHVYHBSM-MRXNPFEDSA-N 322.405 1.301 0 40 DDAB CCOC(=O)[C@](NCc1ccco1)(NC(C)=O)C(F)(F)F 19419489 HXHCNCUGVTVROC-NSHDSACASA-N 308.256 1.327 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 169619910 MFXRVNBWYHSTOY-LACSLYJWSA-N 309.321 1.942 0 40 DDAB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N1CCOCC1 5774389 LAMSGVAMTJFMID-GFCCVEGCSA-N 320.370 1.504 0 40 DDAB CCCn1c(=O)c2[nH]c([C@H]3CCC(=O)C3)nc2n(CCC)c1=O 5156 RUHGOZFOVBMWOO-JTQLQIEISA-N 318.377 1.543 0 40 DDAB biogenic,investigational CO[C@H]1[C@H](CNC(=O)c2cnc(C(C)C)nc2)COC[C@H]1OC 643585430 JYXVCKYWTLFRNW-MCIONIFRSA-N 323.393 1.006 0 40 DDAB Cc1ncsc1CN1CC(Oc2ccnc(C(N)=O)c2)C1 1889093030 CARXZWZNWMJAOZ-UHFFFAOYSA-N 304.375 1.209 0 40 DDAB O=C([C@H]1CN(c2nc3ccccc3o2)CCO1)N1CCCC1 1889130325 MTXOELFZMBTBIB-CQSZACIVSA-N 301.346 1.655 0 40 DDAB CS(=O)(=O)Cc1ccc(C(=O)OCc2cccnc2)cc1 15006443 AEBBASDVJRSWCW-UHFFFAOYSA-N 305.355 1.983 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(C)cc1 21883835 NVSOVVZKOBKCLQ-UHFFFAOYSA-N 309.347 1.696 0 40 DDAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@@H](O)C1 26240466 CIOQQZOXQRAQHC-CQSZACIVSA-N 311.385 1.958 0 40 DDAB O=C(Cc1cccnc1)N[C@H](Cn1nccn1)c1ccccc1 245060701 PWVLNYFXFPGFJA-MRXNPFEDSA-N 307.357 1.773 0 40 DDAB CC(C)NC(=S)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 15155188 KORSYUPIMUQSRO-CYBMUJFWSA-N 307.419 1.625 0 40 DDAB C[C@@H](C(=O)c1ccccc1)C12C(=O)N=C(O)C1C(O)=NC2=O 96336665 RLGZWWZOZGSJBI-OQHCSMQXSA-N 300.270 1.101 0 40 DDAB COC(=O)[C@](O)(c1ccc(N)c2ncccc12)C(F)(F)F 4622856 KJWQDDIXCXBRAH-GFCCVEGCSA-N 300.236 1.740 0 40 DDAB Cn1c(=O)c2c(Nc3cc(F)ccc3F)ccnc2n(C)c1=O 12227509 WMCQIHQCBZQWRW-UHFFFAOYSA-N 318.283 1.654 0 40 DDAB CCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713407 LEKBGBMJORTGBV-CYBMUJFWSA-N 318.421 1.550 0 40 DDAB Cc1cc(C(=O)NCc2cn(-c3ccsc3)nn2)nn1C 575619590 WWFKJVLZVRNDTF-UHFFFAOYSA-N 302.363 1.301 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)Cc2ccco2)cc1 206614361 QGOQPUGIIDIMPB-KRWDZBQOSA-N 317.341 1.790 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 40496387 SVQLEWRLANPNRO-GFCCVEGCSA-N 324.402 1.371 0 40 DDAB O=C(Cn1cnnn1)NCc1ccccc1COc1ccccc1 40479659 AWMDEZNXWMTGJV-UHFFFAOYSA-N 323.356 1.569 0 40 DDAB Cc1cccc2[nH]c3c(N4CCN(CCO)CC4)ncnc3c12 20358235 NPTXOBHSKUHOJH-UHFFFAOYSA-N 311.389 1.534 0 40 DDAB Cn1cnnc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 40539970 FIQDWXLOVDKHJF-UHFFFAOYSA-N 305.281 1.808 0 40 DDAB CCNC(=O)C(=O)NCc1noc(-c2ccccc2Cl)n1 40556301 LIOZGETUFLMALY-UHFFFAOYSA-N 308.725 1.142 0 40 DDAB CCc1ccc(-c2noc(CCC(=O)NS(C)(=O)=O)n2)cc1 40543978 VVJCHLBEPCXXGR-UHFFFAOYSA-N 323.374 1.307 0 40 DDAB COc1ccc(C(=O)COC(=O)c2cnc(C)cn2)c(OC)c1 3521073 ZCKXMIUOHBIPBZ-UHFFFAOYSA-N 316.313 1.842 0 40 DDAB O=C1OC[C@@H]2C(=O)N3Cc4nc5ccccc5cc4[C@@H]3OC[C@@H]12 4984337 VIPUNZPBDGWVHE-OZVIIMIRSA-N 310.309 1.395 0 40 DDAB CCSc1cc(C(=O)NCC(=O)Nc2cn[nH]c2)ccn1 51412839 HNQOZUJWBLMSDU-UHFFFAOYSA-N 305.363 1.285 0 40 DDAB CC(C)C(=O)N1CCN(c2ccc(NC(N)=S)cc2)CC1 57354581 RSORKLOPGHYPDO-UHFFFAOYSA-N 306.435 1.647 0 40 DDAB c1cn(C[C@H]2CO[C@]3(COCCN(Cc4ccoc4)C3)C2)cn1 107738928 XSEIVZXKEXULGO-DLBZAZTESA-N 317.389 1.784 0 40 DDAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC1CC1 32655681 VXHPWYDIPJGGOU-UHFFFAOYSA-N 318.402 1.721 0 40 DDAB Cn1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1 32765316 IPKLDJLIVWUBBW-UHFFFAOYSA-N 311.338 1.362 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccncc1 32725769 QMUYNJBYZHOGKF-CHWSQXEVSA-N 301.346 1.585 0 40 DDAB CC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCO3)CC1 32741228 OWDICSANOWPNRB-UHFFFAOYSA-N 318.373 1.333 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Cl)n1 78510906 MQYIYYIHTHBWPT-LBPRGKRZSA-N 311.813 1.918 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1CC 83817595 PQUAWHMLVPUVNA-NXEZZACHSA-N 309.435 1.861 0 40 DDAB CNc1nc(NCc2cccnc2)nc(NCc2cccnc2)n1 83884256 WEYAUIIUMQWAFY-UHFFFAOYSA-N 322.376 1.928 0 40 DDAB CCCCN(CC(N)=O)CC(=O)N[C@@H]1CCOc2ccccc21 52703724 IEKBOCHQIKJTEP-CQSZACIVSA-N 319.405 1.214 0 40 DDAB O=C(CN1CCC[C@@H](CO)C1)N(Cc1ccccc1)C1CC1 71916280 PBGSGGJOHXEIEE-MRXNPFEDSA-N 302.418 1.882 0 40 DDAB C[C@H]1CCC[C@@H](OCC(=O)NCCCn2ccccc2=O)C1 71903030 RNLKKICVCRNJDC-LSDHHAIUSA-N 306.406 1.950 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(Cl)ccn1)C1CC1 71904482 LMMNBDRCXWXPIK-VIFPVBQESA-N 316.810 1.773 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[C@@H](C(N)=O)C1 46941254 DQLJPSDIUULXDE-VHSXEESVSA-N 309.341 1.412 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H]1CCOC1 47067257 AIMBUGXZTJSIRO-NSHDSACASA-N 316.361 1.101 0 40 DDAB C[C@@H](NC(=O)COC(=O)c1ccc[nH]c1=O)[C@H]1C[C@H]2CC[C@H]1C2 103411612 IKOIDCGXVKUANL-OWTLIXCDSA-N 318.373 1.473 0 40 DDAB Cc1noc(CCCC(=O)Nc2nnc(-c3ccccn3)[nH]2)n1 53527358 KWWBBUBYEVYGHT-UHFFFAOYSA-N 313.321 1.520 0 40 DDAB CN(Cc1csc(Br)c1)C(=O)[C@H]1C[C@@H](O)CN1 42364333 BFAKAEJRTSYHLV-RKDXNWHRSA-N 319.224 1.192 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1CC(=O)N(C1CCCC1)C1CC1 54988571 HAEBHFCOEPIHCL-MRXNPFEDSA-N 319.449 1.663 0 40 DDAB CC(C)(CNC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)NS(C)(=O)=O 106910488 XEWKMRFISZRTLN-SRVKXCTJSA-N 317.455 1.050 0 40 DDAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)NC[C@H]1CCOC1 107056394 CKVMXQLHJWMLGM-DGCLKSJQSA-N 320.393 1.237 0 40 DDAB CCN(CC)CCNC(=O)[C@@H](C)n1cc(Br)cn1 28224571 UCPLMPVQVJDVQX-SNVBAGLBSA-N 317.231 1.665 0 40 DDAB CC(C)C[C@H](CNc1ncnc2c1cnn2C)N1CCOCC1 26146300 ZORPHBGMVKQRIR-CYBMUJFWSA-N 318.425 1.522 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1 26881779 GRJMMOYXEXJJLE-NSHDSACASA-N 322.386 1.549 0 40 DDAB CC(C)C(=O)NCCNC(=O)N[C@H](CN(C)C)c1ccccc1 48004182 OSPUAODLEWZYLC-OAHLLOKOSA-N 320.437 1.361 0 40 DDAB CNC(=O)CCN(Cc1ccccc1OC)C[C@H]1CCCO1 58161153 POTLCINCNMAXDE-OAHLLOKOSA-N 306.406 1.812 0 40 DDAB CN(CC(=O)NC1CC1)c1nn2cc(C(C)(C)C)nc2s1 44895705 CWBHVWYQYRWPAD-UHFFFAOYSA-N 307.423 1.803 0 40 DDAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cnn1C 44893705 IJPFHMRKHUHLNH-AWEZNQCLSA-N 302.378 1.888 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 2108532 OLHMEUBJVMFKGS-BKUVIOGVSA-N 320.732 1.147 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 58289277 GOLWTXVGQPFDAW-BDAKNGLRSA-N 300.305 1.373 0 40 DDAB CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58292135 PTKLZTQXTJCLDV-LBPRGKRZSA-N 323.422 1.717 0 40 DDAB CS(=O)(=O)CCOc1nc(-c2ccccc2Cl)no1 58291128 PYXLVIBOXLYSBL-UHFFFAOYSA-N 302.739 1.813 0 40 DDAB C[C@@H]1COCCN1C(=O)c1ccc(Cn2ccccc2=O)o1 44912337 HVNSDTJUEYQQAU-GFCCVEGCSA-N 302.330 1.351 0 40 DDAB Cc1ccnn1-c1cccc(NC(=O)Cn2cccnc2=O)c1 58323540 KFARHMHBFLGRTQ-UHFFFAOYSA-N 309.329 1.376 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)NCCCC(N)=O)c1ccccc1 48246423 SCBFQWXXGDGIDM-AWEZNQCLSA-N 315.377 1.074 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21 48278930 HFPDUIRARUCKLT-JSGCOSHPSA-N 308.403 1.550 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N(Cc1ccncc1)C1CC1 58424038 BKJXTKCLBQMRAB-UHFFFAOYSA-N 320.356 1.862 0 40 DDAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2[nH]c1=O 36357188 XUUPKBOPCBFTNL-UHFFFAOYSA-N 313.357 1.174 0 40 DDAB O=C(O)CSc1nc(N2CCOCC2)nc2ccccc12 36390450 DBUUGRLAYDOLDS-UHFFFAOYSA-N 305.359 1.643 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1nn(C)c(=O)c2ccccc12 48311771 DILZZFJXZKJDND-GFCCVEGCSA-N 315.373 1.432 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccccc1F 48366133 LVQOYZWEBSGGTD-SMDDNHRTSA-N 306.341 1.444 0 40 DDAB COC(=O)c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)nn1 48332445 WXORNNOELONBTE-NSHDSACASA-N 303.322 1.382 0 40 DDAB Cc1ccc(C)c(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 3454141 XODWWXOHPKSXCD-UHFFFAOYSA-N 316.357 1.933 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncn[nH]2)c1C 7603725 GXXQXVNQHHMMIL-MRVPVSSYSA-N 308.363 1.900 0 40 DDAB COC1(CN[C@H](C)c2ccc(-n3cnnn3)cc2)CCOCC1 90650756 LNZHVTUFYCGDNF-CYBMUJFWSA-N 317.393 1.509 0 40 DDAB Cc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)n1 12984198 PWDISPIYDUOVEZ-UHFFFAOYSA-N 315.348 1.997 0 40 DDAB COCCNC(=O)NCC(=O)N[C@H](C)c1ccc(C)c(C)c1 12945547 DMWOPWYBTHMPNS-CYBMUJFWSA-N 307.394 1.426 0 40 DDAB CCCn1c(SCC(=O)NCc2cccs2)n[nH]c1=O 3534593 KLCNHRDFXLZNHE-UHFFFAOYSA-N 312.420 1.451 0 40 DDAB CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3610929 AVANVIMCIQANAJ-AWEZNQCLSA-N 309.753 1.243 0 40 DDAB O=C(CN1CCc2cncnc2C1)N1CCC(c2ccccc2)=N1 69488895 UMOMMDVMHDKSOV-UHFFFAOYSA-N 321.384 1.471 0 40 DDAB CCCc1cc(NC(=O)Cn2c(=O)oc3ccccc32)n(C)n1 90818670 QCTPHGKIKWWUIV-UHFFFAOYSA-N 314.345 1.919 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N3CCOC[C@H]3C3CC3)ccc21 89976471 GDJXQPJWKFXOGI-KRWDZBQOSA-N 314.385 1.847 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cc(-c3cccs3)on1)C2 69484818 JNDABHMLVACVNR-UHFFFAOYSA-N 315.358 1.959 0 40 DDAB CCCNC(=O)COC(=O)c1cc(Br)ccc1N 4246251 WVWVQQJQRBFRON-UHFFFAOYSA-N 315.167 1.714 0 40 DDAB CN1CCN(NC(=O)/C=C/c2ccc(Br)cc2)CC1 6126007 ZQSRZBDUDLVUTQ-QPJJXVBHSA-N 324.222 1.741 0 40 DDAB O=C1C[S@@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2N1 4387592 JWHRIPUDTMYJLV-SFHVURJKSA-N 313.278 1.040 0 40 DDAB COc1ccc(NCC(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1 6388421 DWBQJJGWNSZMTP-CQSZACIVSA-N 313.304 1.669 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCc2nccn2C1 65487951 NRGPJYQUZXOGAG-CYBMUJFWSA-N 316.453 1.911 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)COC 65435034 VRSQBSPQQFAXLD-NSHDSACASA-N 318.377 1.490 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)Cc1cn(C)c2ccccc12 65564058 PKHOYDYGJMEJSJ-ZDUSSCGKSA-N 313.401 1.848 0 40 DDAB C[C@@H](CCNC(=O)NCCN1CCOCC1)c1ccccc1 65610819 IPHZBNMSCRZWIB-HNNXBMFYSA-N 305.422 1.812 0 40 DDAB Cc1cc(F)cc(C(=O)O)c1NS(=O)(=O)c1cn(C)cn1 65607497 DUYZMYBMUDWIFG-UHFFFAOYSA-N 313.310 1.367 0 40 DDAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC[C@@H]1CCCO1 8250135 LHCZRCPNYWXDHZ-LBPRGKRZSA-N 322.434 1.878 0 40 DDAB CCN(C(=O)[C@H]1CC(=O)N([C@@H](C)COC)C1)c1ccccc1 8235001 WVNHGWPIVLKKOC-KBPBESRZSA-N 304.390 1.923 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)CCNc2ncccn2)c1 70004297 BAGXOTJXCNFCFV-CQSZACIVSA-N 314.393 1.475 0 40 DDAB Cc1ccc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2c1 14670998 TZIUWYVFDHSGAN-SECBINFHSA-N 310.400 1.978 0 40 DDAB COc1cccc(C(=O)NCCc2csc3ncnn23)c1 6756042 NJOSICFXXFHPJU-UHFFFAOYSA-N 302.359 1.772 0 40 DDAB COc1ccc2c(C)c(CCC(=O)NC[C@@H](C)O)c(=O)oc2c1 8764927 AFQDQBXGXUSXKD-SNVBAGLBSA-N 319.357 1.540 0 40 DDAB biogenic C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccco1)C(=O)Nc1ncccn1 84098660 ACNGKZDODPTSFF-GARJFASQSA-N 301.302 1.744 0 40 DDAB COCC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 9265571 CXUJTCSPNJNNMR-UHFFFAOYSA-N 318.329 1.490 0 40 DDAB CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nnc(C)o2)ncn1 72276619 HATKXZQJMCDCPK-ZYHUDNBSSA-N 317.397 1.529 0 40 DDAB CC(C)[C@H](NC(=O)c1c(F)cc(OC(F)F)cc1F)C(N)=O 97010254 OQWOSRNPLMOBHE-JTQLQIEISA-N 322.258 1.806 0 40 DDAB CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C 83612809 IKMCOQWXLSDLSD-ONGXEEELSA-N 302.421 1.002 0 40 DDAB O=C(Nc1nc2ncccn2n1)c1ccc(-n2cccn2)c(F)c1 71803778 XZSYNHQAONFOLD-UHFFFAOYSA-N 323.291 1.701 0 40 DDAB COc1cc(Cl)ccc1C(=O)N1CCN(C[C@H](C)O)CC1 71871409 ALDBXQSYAIEKJT-NSHDSACASA-N 312.797 1.487 0 40 DDAB CCO[C@@H](C(=O)N1CCN(C[C@@H](C)O)CC1)c1ccccc1 71871370 QHPWMUFTOIRPAT-GDBMZVCRSA-N 306.406 1.289 0 40 DDAB CSc1cncc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 97162957 AXOBQYLHVQFAFI-CQSZACIVSA-N 305.407 1.684 0 40 DDAB Cc1n[nH]cc1CNCCN1CCN(C)C[C@@H]1c1ccccc1 97159559 LZWLLBXMNZSGMD-GOSISDBHSA-N 313.449 1.796 0 40 DDAB CCc1noc2ncc(S(=O)(=O)NCc3ncc(C)o3)cc12 97139957 PQYNKFYEWQBQDX-UHFFFAOYSA-N 322.346 1.560 0 40 DDAB CCOc1ccc(C(=O)OC2CCN(C=O)CC2)cc1OC 95461442 GBIALLAPJCLADJ-UHFFFAOYSA-N 307.346 1.872 0 40 DDAB NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F 95432109 UKEIQJWVNXHFIY-RDDDGLTNSA-N 308.325 1.510 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)on1 95998154 HHDPCXRVAIWQBV-ZDUSSCGKSA-N 323.356 1.986 0 40 DDAB Cc1ccc(C)c(OCC(=O)N2CCOC[C@@H]2c2ncon2)c1 95981337 UUEQUKCJAPMLGG-CYBMUJFWSA-N 317.345 1.665 0 40 DDAB CCc1ncnc(N2CCN(c3cncc(OC)n3)CC2)c1F 95981579 RJCJZEDZUUSXBP-UHFFFAOYSA-N 318.356 1.303 0 40 DDAB NC1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 95972574 LKGYLBPFPKBJLD-UHFFFAOYSA-N 320.418 1.043 0 40 DDAB Cc1nnc2n1CCC[C@@H]2NC(=O)N(C)CCOCC1CC1 88614138 CDIOOOUKQDJRAG-ZDUSSCGKSA-N 307.398 1.489 0 40 DDAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H]1CCCNC1=O 75126692 CQZAWVHPONRWRJ-GFCCVEGCSA-N 318.333 1.043 0 40 DDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccn2ccnc2c1 127065898 SCKDSACDCBMKFU-HNNXBMFYSA-N 310.357 1.887 0 40 DDAB O=C(NCC1CCOCC1)[C@@H]1CN(c2ccccc2)CCO1 72352808 HJNUOWFVLKNVBE-INIZCTEOSA-N 304.390 1.435 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1nc2ccc(F)cc2s1 32768166 NWJTUYXKECKVLJ-UHFFFAOYSA-N 321.333 1.913 0 40 DDAB Cn1ccnc1[C@@H]1CCN(C[C@@H](O)COc2ccccc2)C1 536068109 QKEHZTXZHVWJDS-HUUCEWRRSA-N 301.390 1.649 0 40 DDAB COc1ccc(NC(=O)C[C@H](NCCCN(C)C)C(=O)O)cc1 56964115 VJOMWTIEGOSYMI-AWEZNQCLSA-N 323.393 1.018 0 40 DDAB O=C(Cn1ccccc1=O)NCCOc1cccc(Cl)c1 36391231 LXRHRGDSJHCWPG-UHFFFAOYSA-N 306.749 1.697 0 40 DDAB Cc1ccccc1[C@@H]1N=C(N)Nc2nc(=O)c3ccccc3n21 39921217 KSABSILFCAXRFB-CQSZACIVSA-N 305.341 1.992 0 40 DDAB CO[C@H](C)c1nc(=NCc2ncnn2-c2ccccc2)s[nH]1 558689711 ORFOGMWFOOKOOW-SNVBAGLBSA-N 316.390 1.860 0 40 DDAB COc1cc(C)c(S(=O)(=O)NC2CCN(C)CC2)c(C)c1 74861090 MCSSFFQEEBHJRT-UHFFFAOYSA-N 312.435 1.685 0 40 DDAB CCN1CCO[C@H](C(=O)N2CCc3cc(F)ccc3[C@@H]2C)C1 73880978 YUIUZEGWARHNFE-LRDDRELGSA-N 306.381 1.992 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C1 195535983 BFTMYNDMAXSOPF-XMDOAZLISA-N 316.401 1.298 0 40 DDAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccno2)C1 225492005 RSWOOBUBVJKGEN-SNVBAGLBSA-N 304.306 1.157 0 40 DDAB CC(C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223351195 DHXYLONKGOHEHN-LBPRGKRZSA-N 304.346 1.431 0 40 DDAB CC1=CCC[C@H](C)[C@H]1CNCCS(=O)(=O)N1CCOCC1 134162804 CPQYWRWITLBHBF-GJZGRUSLSA-N 316.467 1.230 0 40 DDAB c1ccc(OC[C@H]2CN(c3ncccn3)Cc3cncn3C2)nc1 96207366 FLRWEHHALNJPFR-AWEZNQCLSA-N 322.372 1.784 0 40 DDAB c1ccn(Cc2nnc3n2CCCN(Cc2ccncc2)C3)c1 96259638 TUCMQQDXZSPRJL-UHFFFAOYSA-N 308.389 1.929 0 40 DDAB CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 96061126 KMOIFIGUUNAPEC-CQSZACIVSA-N 306.410 1.022 0 40 DDAB CCn1nnc2c1CCN(C(=O)c1cc(C)[nH]c1C)[C@H]2COC 96068759 KFIBQIURUVWPEU-AWEZNQCLSA-N 317.393 1.629 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(Cc1cccnc1OC)CC2 96207459 VBMPTWLLDDSZBA-AWEZNQCLSA-N 319.405 1.065 0 40 DDAB COCCN1C(=O)CCC[C@]12CCCN(c1ccc(C)nn1)C2 96229870 JYOWMLZJFDSZJR-QGZVFWFLSA-N 318.421 1.783 0 40 DDAB Cc1nnc(CNC(=O)c2ccnc(OCC(F)F)c2)n1C 95442830 IORZCWNRRLRQLB-UHFFFAOYSA-N 311.292 1.092 0 40 DDAB COc1ccc(Cc2noc(CNC(=O)C3CC3)n2)cc1OC 96405303 RGKNOGXHNBHHAG-UHFFFAOYSA-N 317.345 1.704 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96077368 ZLGLKKGREGVEHS-HNNXBMFYSA-N 308.403 1.465 0 40 DDAB CCN1C[C@]2(CC1=O)CN(Cc1ccoc1)CCN(C(C)=O)C2 96036131 GYPKQFIYHXNTGW-KRWDZBQOSA-N 319.405 1.182 0 40 DDAB CCN1Cc2ccccc2CC2(CCN(CC(=O)O)CC2)C1=O 96243397 AQQZWDBJDIYQSE-UHFFFAOYSA-N 316.401 1.758 0 40 DDAB Cc1ccc(N2CCCc3sc(C(=O)NCCO)nc32)nn1 96062701 XFFRIAZIUBRNEL-UHFFFAOYSA-N 319.390 1.048 0 40 DDAB COc1ncnc2c1CN([C@H](C)c1nc(C3CC3)no1)CC2 97202095 JUVUDYYCMHPZKQ-SECBINFHSA-N 301.350 1.865 0 40 DDAB C[C@H]1C[C@H]1NC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 96469908 MISBPLBNETWOBD-RKTXRCNFSA-N 315.417 1.690 0 40 DDAB CCc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)nc1 96100406 MMVHBYBBDBISRB-QLFBSQMISA-N 318.421 1.405 0 40 DDAB C[C@@H]1OCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C 252585694 KIKZHRACJSFHQR-YQQAZPJKSA-N 319.449 1.515 0 40 DDAB Cc1ncoc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257335331 YJSSCFQNUKPQMK-KBPBESRZSA-N 317.345 1.423 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)CCN2CCOCC2)ccn1 257334437 YFWCVJBHKAUWMA-OAHLLOKOSA-N 318.421 1.509 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CCCN[C@H]1C 343509349 IHMCMCDPKVDPMJ-DZKIICNBSA-N 317.433 1.556 0 40 DDAB Cn1cncc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257255789 KIWDMWFDSOWDLT-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2C2CCN(C)CC2)n1 257233717 GQKJMQNWZYUWKM-KRWDZBQOSA-N 317.437 1.344 0 40 DDAB CC(=O)N1CCNC[C@@H]1C(=O)NCC(C)(C)c1ccccc1F 257284209 PBTIJVOIAWSHGT-OAHLLOKOSA-N 321.396 1.040 0 40 DDAB O=C(CCn1ccnc1)NCc1cnc([C@H]2CCCCO2)nc1 257335600 YLADXSYJWFIZOI-CQSZACIVSA-N 315.377 1.621 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CN(Cc3ccnn3C)CCO2)n1 257304691 SMSSLXOXFSEHJD-QGZVFWFLSA-N 315.421 1.763 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccnn3)CCO2)c1 257309389 UASNYYVCWZJNHD-HNNXBMFYSA-N 313.361 1.435 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(C3CCOCC3)CCN2C)c1 257283994 PAUNUGMRPPKGNF-QGZVFWFLSA-N 317.433 1.514 0 40 DDAB CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C1CC1 61976686 HIUQYZUUQGULDQ-HNNXBMFYSA-N 308.403 1.624 0 40 DDAB CCOC(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 61966100 JUGCRIWPDXGHPP-UHFFFAOYSA-N 301.350 1.442 0 40 DDAB O[C@]1(COc2cccc(F)c2)COCCN(c2ncccn2)C1 585276931 SSQMZXXCPKHIFC-INIZCTEOSA-N 319.336 1.262 0 40 DDAB O=C(c1cc[nH]n1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585279065 SGJVYAFXAZXDFQ-IUODEOHRSA-N 303.337 1.615 0 40 DDAB OCc1c(I)cnn1CC(F)(F)F 685936067 CSDAWWQCLYWIDG-UHFFFAOYSA-N 306.025 1.542 0 40 DDAB COc1ccc(C2=CCN(C(=O)[C@@H]3COCCO3)CC2)cc1 49276552 LPVCIZXVWWUOTN-INIZCTEOSA-N 303.358 1.726 0 40 DDAB CCOc1ccccc1C(=O)N1CCN(CCC(=O)O)CC1 69442786 XWTUKZBGBKXBFU-UHFFFAOYSA-N 306.362 1.318 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cccn1)NC1CCOCC1 69632195 PKLQSYFZVLIZQS-HNNXBMFYSA-N 306.410 1.033 0 40 DDAB COc1cccc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c1 85436600 CRMZTJLOXLBIQX-MRXNPFEDSA-N 304.390 1.224 0 40 DDAB O=C1NC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)N1 89782857 ISHLTXOAHVZLPQ-KBPBESRZSA-N 305.353 1.855 0 40 DDAB Brc1cc(N2CCOCC2)nc(Br)n1 306631113 CZDYAYYJLKVLPQ-UHFFFAOYSA-N 322.988 1.838 0 40 DDAB O=C(O)CCN1C(=O)COc2cc(Br)ccc21 32627736 IWEVEABQPMVYFG-UHFFFAOYSA-N 300.108 1.649 0 40 DDAB in-vitro CCOCC(=O)N[C@@H](C)c1nc2c3c(C)c(C)oc3ncn2n1 12236098 XYSJECXXJTXZPW-VIFPVBQESA-N 317.349 1.701 0 40 DDAB Cc1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)CN2C)n1 12530030 BPPLJNKTFXPFTI-STQMWFEESA-N 307.398 1.755 0 40 DDAB biogenic,in-vitro COc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2)c1 14153169 ITJQKDXMIPNUCR-UHFFFAOYSA-N 320.370 1.612 0 40 DDAB COc1cn(C)c(C(=O)Nc2ccc3c(c2)OCCO3)cc1=O 16848053 HYUZFZFFUZYPRL-UHFFFAOYSA-N 316.313 1.417 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19462740 HTAWPGRSPPKVGH-BNOWGMLFSA-N 324.384 1.804 0 40 DDAB CC[C@@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)N(C)C)c1 19746121 MWYSQDYBTPCYFU-CQSZACIVSA-N 321.425 1.174 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)ncc1C(N)=O 19754539 DEHADIWMYWDEAJ-ZDUSSCGKSA-N 316.405 1.780 0 40 DDAB CS(=O)(=O)N1CCCN(c2ncnc3sccc23)CC1 29463404 CTMGXGDSZWONPI-UHFFFAOYSA-N 312.420 1.163 0 40 DDAB CC(C)(C)NC(=O)NC(=O)CSC(=S)N1CCCC1 5286754 SSBLRRRTXORJKT-UHFFFAOYSA-N 303.453 1.725 0 40 DDAB COc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1 25423106 MHGLODAFGLNHRM-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB CN1C[C@H]2CN(C(=O)c3cccc(Cl)c3)CC[C@@H]2OCC1=O 2037985641 QWJQWXGXZFIHGV-JSGCOSHPSA-N 322.792 1.659 0 40 DDAB CCC(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037841116 WTFLMKDVQAPSPV-KRWDZBQOSA-N 320.364 1.960 0 40 DDAB Cc1ncnc(C(=O)N2C[C@@H]3OCCN(C(C)C)[C@@H]3C2)c1C 1565550104 PQIMAGGHOGZPLN-KGLIPLIRSA-N 304.394 1.027 0 40 DDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 1565545767 OHFVBPMYVXTASK-UHFFFAOYSA-N 316.361 1.044 0 40 DDAB O=C(c1csnn1)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 1565549137 QQLNSOXGNFXINS-GXTWGEPZSA-N 315.402 1.280 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@@H]2C1 1565550633 GBCQEHYFKPDMJS-DGCLKSJQSA-N 302.365 1.601 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H](NC[C@@H](C)O)C(=O)O 5258238 ZEQIMLXMSUBOJN-SKDRFNHKSA-N 314.769 1.401 0 40 DDAB Cc1cc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)n(C)n1 585327494 ZBYGZBQAFDZCAE-UHFFFAOYSA-N 322.390 1.029 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)cc1F 75155148 MLEGTWUENSUSBQ-AWEZNQCLSA-N 319.336 1.261 0 40 DDAB Cc1noc([C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 40496558 GVJMAQFFBNTING-AAEUAGOBSA-N 308.382 1.010 0 40 DDAB COC(=O)c1ccc(-c2noc(CNC(=O)C3CC3)n2)cc1 83895797 VYZZSMOBOKUQFZ-UHFFFAOYSA-N 301.302 1.549 0 40 DDAB C/C=C/C(C)=C\[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 1767413 ATUBIBZJAGAIBW-UBXPDPJGSA-N 307.390 1.908 0 40 DDAB CN(C)C[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 83850974 RUJFFXMIRMUOHP-HNNXBMFYSA-N 313.405 1.350 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NC(=O)NC1CCCCC1 2624220 ILLKOLPZEQJMAR-UHFFFAOYSA-N 317.345 1.753 0 40 DDAB NS(=O)(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 71903205 LLJYEZJXVNMXLO-LLVKDONJSA-N 323.340 1.111 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2cccnc2=O)c1 32712988 WRJHYEQOWBOTTF-NSHDSACASA-N 317.345 1.138 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 41131880 XCVHDJJZLBLVGI-JTQLQIEISA-N 300.280 1.582 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 41132870 XSOYMIHXLDQXGB-CYBMUJFWSA-N 302.374 1.955 0 40 DDAB O=C(NC[C@@H](O)CO)Nc1cc(F)ccc1N1CCCCC1 91173908 QRDFDMPBYUVFBO-GFCCVEGCSA-N 311.357 1.291 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1F 9483974 WNMDWAYEDDPLPG-MELADBBJSA-N 305.353 1.554 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccccc1 100664335 NHEDAEKECCCNGE-HGDXVPPDSA-N 322.364 1.678 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc(F)c(F)c1 41670470 BBDYUNJCBOSXPD-UHFFFAOYSA-N 308.240 1.463 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)NC[C@@H]2CCCO2)cc1 2809680 AOFZZHKRMDZGMS-ZDUSSCGKSA-N 311.403 1.454 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCNC(=O)c1cccnc1 22501386 UPJHJDZSPUQKMO-UHFFFAOYSA-N 308.341 1.530 0 40 DDAB biogenic COC(=O)CCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 22750143 ZLTYZFMADVRBQH-ZDUSSCGKSA-N 310.350 1.103 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 102598350 QGPIRIBENPIUCZ-XBPHNGTGSA-N 317.385 1.726 0 40 DDAB CCc1ccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1 54198319 GCYPOLJMUIRBDS-UHFFFAOYSA-N 300.358 1.743 0 40 DDAB CC(C)(C)N1C[C@H](NC(=O)N[C@H](CO)c2ccccc2)CC1=O 174896614 PIWAGZVKGBYUGF-ZIAGYGMSSA-N 319.405 1.419 0 40 DDAB O=C(N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1)C(F)(F)F 1295399 OBVUPZSCEFDZJP-JTQLQIEISA-N 305.277 1.893 0 40 DDAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1nncn1C 43889460 STMLXQZEWLEEPY-JTQLQIEISA-N 317.349 1.147 0 40 DDAB Cc1nc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)cs1 107505646 DPPKMUAISHSANL-NHYWBVRUSA-N 322.434 1.604 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)on1 44457096 BVEZPPGNVHFZHB-SECBINFHSA-N 310.331 1.099 0 40 DDAB CC[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)NC2CC2)CC1 57862327 DZJUOXBHNKUIDU-INIZCTEOSA-N 315.417 1.561 0 40 DDAB NC(=O)CCn1nnc(-c2cc(F)ccc2Br)n1 58209757 KKAPRKZTKXOULH-UHFFFAOYSA-N 314.118 1.117 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 48021145 HYDIKDYGDBLGAU-NEPJUHHUSA-N 306.362 1.855 0 40 DDAB C[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)[C@H]1CCCO1 27889814 QDJONJBCSXRHBS-WCQYABFASA-N 316.361 1.748 0 40 DDAB O=c1c2sccc2ncn1C[C@H](O)c1ccc2c(c1)OCO2 58307673 QWKXTXJBFYZDGS-NSHDSACASA-N 316.338 1.920 0 40 DDAB O=C(NCc1ncccc1F)N[C@@H]1c2ccccc2C[C@@H]1O 89857873 FGCLAYNCCBIXJO-LSDHHAIUSA-N 301.321 1.678 0 40 DDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48234986 KJSPIIZKROOLSE-WPRPVWTQSA-N 318.345 1.512 0 40 DDAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccccc1 48246397 IFOHPVATAXRSLT-DZGCQCFKSA-N 314.389 1.845 0 40 DDAB COc1cc(CCC(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 12912192 KIMZZXDPJSWAOS-ZDUSSCGKSA-N 323.389 1.940 0 40 DDAB O=C(Nc1ncccn1)[C@H]1CC=CC[C@H]1C(=O)Nc1ncccn1 13396731 JWINSKBVHSGJFT-TXEJJXNPSA-N 324.344 1.426 0 40 DDAB O=C(COc1ccccc1)Nc1ncn(Cc2ccccn2)n1 69457994 OBRKFSFWEWZWRJ-UHFFFAOYSA-N 309.329 1.739 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)NCc1cccs1 8428212 BNMCEPPZBQXYEV-UHFFFAOYSA-N 305.384 1.836 0 40 DDAB CC[C@H]1NC(=O)N(Cc2cn(-c3ccc(Cl)cc3)nn2)C1=O 89948205 JUWCYXNBGBKEGW-GFCCVEGCSA-N 319.752 1.751 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1scnc1C)CC2 89986407 IRISJAVKMUTXMO-VXGBXAGGSA-N 310.419 1.844 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CN2CCSC2=O)c1 5298352 KFXYBCCJMTVFQE-UHFFFAOYSA-N 308.359 1.889 0 40 DDAB CN(C)c1ccc(CCNC(=O)NCC(C)(C)C(N)=O)cc1 69628991 NDZOFQGUPWHTIO-UHFFFAOYSA-N 306.410 1.106 0 40 DDAB Cc1cnc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cn1 69619110 OTBDAECVTMEYBE-UHFFFAOYSA-N 312.377 1.236 0 40 DDAB CC(=O)N1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 65403771 PMBXMIFEGXRWQJ-HNNXBMFYSA-N 317.389 1.254 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 6456938 LBZSBIPEXOCWNR-UHFFFAOYSA-N 318.354 1.789 0 40 DDAB CN(C)c1nc(N)nc(CSCCOc2ccccc2)n1 14169125 VZYIIEYRFOLWKK-UHFFFAOYSA-N 305.407 1.832 0 40 DDAB CCCNS(=O)(=O)c1ccc(OCC)c(NC(C)=O)c1 408558363 QWEUMBJLTNFWEN-UHFFFAOYSA-N 300.380 1.732 0 40 DDAB Cc1c(CCC(=O)O)c(=O)oc2cc(O[C@H](C)C(=O)O)ccc12 5546286 DDNOAPDXGFXDJH-SECBINFHSA-N 320.297 1.971 0 40 DDAB COc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)c(OC)c1 6642049 DJCDVINYGWIKFV-SNVBAGLBSA-N 309.347 1.199 0 40 DDAB CN(C)C(=O)Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1 66382384 VQEUSRHIHDQDAS-CABCVRRESA-N 312.373 1.714 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)NCc2ccccn2)c1 69819698 SUXFTNSGLFXONW-ZIAGYGMSSA-N 301.394 1.442 0 40 DDAB O=C(/C=C/c1ccccc1)NS(=O)(=O)C[C@H]1CCCCO1 69811187 NUZMFNTXZUTUOK-ATWMFIQVSA-N 309.387 1.715 0 40 DDAB CCCn1c(SCC(=O)NCc2ccccc2)n[nH]c1=O 5966049 JNWJDQPFJDHHHX-UHFFFAOYSA-N 306.391 1.390 0 40 DDAB COc1ccc(C)cc1CCNC(=S)NCCCN(C)C 7010621 WLRIXGLYOBOUGJ-UHFFFAOYSA-N 309.479 1.962 0 40 DDAB COc1ccc(COC[C@H](O)CNC2CCC(O)CC2)cc1 7001458 LBGRWGQYSQYJRL-UYSNPLJNSA-N 309.406 1.466 0 40 DDAB CC(=O)N1CCN(C(=O)CN(CC(F)(F)F)C2CCC2)CC1 90006578 NCHRXSQCCHPTMC-UHFFFAOYSA-N 321.343 1.094 0 40 DDAB CS(=O)(=O)c1cc(F)ccc1N1CCCC[C@@H]1C(=O)O 15443181 KJTREUDOCPYOMV-LLVKDONJSA-N 301.339 1.673 0 40 DDAB CCOC(=O)Nc1nnc(S[C@@H]2CCCCNC2=O)s1 69972034 ZYTYBJLGRJJCQE-SSDOTTSWSA-N 316.408 1.867 0 40 DDAB CCCN(C(=O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 8916603 JRJDSZUXUNFOOT-ZDUSSCGKSA-N 311.403 1.491 0 40 DDAB COc1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1F 9112492 RJVRSFPPYXJLHF-UHFFFAOYSA-N 300.293 1.625 0 40 DDAB COC(=O)c1c(C)cccc1NCC(=O)NC(=O)NC(C)(C)C 9117660 YTDQFSVNALGRST-UHFFFAOYSA-N 321.377 1.818 0 40 DDAB COC(=O)c1c(C)[nH]c(C2=NN=C(NC3CC3)SC2)c1C 9389038 LXXQRIHTWIAVKA-UHFFFAOYSA-N 306.391 1.977 0 40 DDAB COC(=O)CNC(=O)c1csc(-c2ccc(OC)cc2)n1 9314299 RWKFDZJQDIMWRJ-UHFFFAOYSA-N 306.343 1.722 0 40 DDAB C[C@@H]1CN(C(=O)NCc2nccn2C)CCN1CC(F)(F)F 96485880 LMLGGEADANZDJP-SNVBAGLBSA-N 319.331 1.198 0 40 DDAB O=c1nc(CN2CCCC[C@@H]2Cn2cncn2)[nH]c2ccccc12 71879630 LSLOAHHNHHVAOA-CYBMUJFWSA-N 324.388 1.569 0 40 DDAB O=C(Cn1cnnn1)Nc1ccc(Oc2ccc(F)cc2)cn1 71847571 DCQIPXFZDRXUOQ-UHFFFAOYSA-N 314.280 1.638 0 40 DDAB Cc1ccccc1-n1nccc1NC(=O)CN1CCCNC1=O 72282319 FMQZHJFBEMNAFU-UHFFFAOYSA-N 313.361 1.535 0 40 DDAB CS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1 72296715 ZLCFMVVRCFLCMD-UHFFFAOYSA-N 304.371 1.458 0 40 DDAB Cc1ccccc1[C@H]1C(=O)NCCN1Cc1noc(C2CC2)n1 97135341 DJYNHSPUSDSRJZ-HNNXBMFYSA-N 312.373 1.929 0 40 DDAB C[C@@H](C[S@](C)=O)N(C)Cc1nc2ccccc2c(=O)n1C 97161723 MQCAIDBDYYNLGG-WIUDPPPLSA-N 307.419 1.132 0 40 DDAB CC[S@](=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 95417705 VCTTVXUNAIWMJZ-OAQYLSRUSA-N 308.403 1.198 0 40 DDAB CCOC(=O)[C@]1(NCCn2cncn2)CCc2ccccc21 95401476 BVSDCVFBMXFRES-INIZCTEOSA-N 300.362 1.273 0 40 DDAB O=C(Cc1ccsc1)NC[C@@H](O)C(=O)OCc1ccccc1 95458579 ZBRLDZDMYORVEU-CQSZACIVSA-N 319.382 1.511 0 40 DDAB COCCC1(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 95979369 BUWBKUAJVJLCDJ-HIFRSBDPSA-N 320.433 1.805 0 40 DDAB OCCN1CCN(CCCCNc2ncccc2Cl)CC1 95964917 PUHOHBXKTMKTTL-UHFFFAOYSA-N 312.845 1.537 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nccs1 95954479 WGQIIFUYVOMKOK-AWEZNQCLSA-N 315.398 1.733 0 40 DDAB O=C([C@H]1CC1(Cl)Cl)N1CCC(O[C@H]2CCOC2)CC1 75093547 IOLRNKOERZPNNC-WDEREUQCSA-N 308.205 1.977 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCCn2cncn2)c1 75131669 HHBNJIPKWNBFDU-OAHLLOKOSA-N 316.409 1.645 0 40 DDAB COc1cc(N2CC[C@H](OC)[C@@H]2Cc2cnn(C)c2)ncn1 306138094 ROXBCFLQIWLRJC-STQMWFEESA-N 303.366 1.055 0 40 DDAB CC(=O)N1CC[C@@]2(CN(Cc3ccccc3)Cc3cn(C)nc32)C1 306143224 XWRSMAVPJCKSGO-LJQANCHMSA-N 324.428 1.926 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](C)CN1CCCC1=O 65474703 KGHCPKGTIZRVBE-GFCCVEGCSA-N 307.442 1.143 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc[nH]n2)C1 548673247 AQKAVIXWYTYYTO-CQSZACIVSA-N 305.407 1.412 0 40 DDAB COCCN1C[C@H]2CN(Cc3ccccc3C)CCN2C1=O 77266953 NATPLLBGDBAKIS-MRXNPFEDSA-N 303.406 1.563 0 40 DDAB biogenic,in-vitro CC(C)CNS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217553346 UXWYTNOCDPIJDR-UHFFFAOYSA-N 312.391 1.893 0 40 DDAB Cn1cccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 75352397 FWMGFJLAUWPIHG-UHFFFAOYSA-N 310.357 1.511 0 40 DDAB O=C(NC1CCOCC1)N[C@@H](Cn1nccn1)c1ccccc1 238846053 IIVNZLMXLZADQT-HNNXBMFYSA-N 315.377 1.498 0 40 DDAB COc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccc3c(c2)OCO3)c1 72227744 AHYDUAMDHFHQPJ-HZPDHXFCSA-N 312.325 1.839 0 40 DDAB COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 32104582 VNFGSRCWWSDFHZ-OAHLLOKOSA-N 309.329 1.910 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(C(=O)CN)C1CC1 79391152 NITAIYYWHWBLRV-CYBMUJFWSA-N 311.426 1.726 0 40 DDAB C[C@H](CCNC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1 71897731 WLHVVZNTBDULSK-WBVHZDCISA-N 318.465 1.725 0 40 DDAB CCN1CCN(C(=O)Cn2ccc(=O)c3cc(F)ccc32)CC1 225752487 OHQOBXDBTTZPEO-UHFFFAOYSA-N 317.364 1.305 0 40 DDAB CC(C)S(=O)(=O)CCCN1C(=O)N[C@@](C)(C(C)(C)C)C1=O 193739252 KSDGTPTUHWOWGG-CQSZACIVSA-N 318.439 1.556 0 40 DDAB CC(C)C[C@]1(CO)CCCN1C(=O)NCCc1ccnn1C 191435979 LCACRPQLCOLKEY-INIZCTEOSA-N 308.426 1.545 0 40 DDAB CCc1nc(C)cn1S(=O)(=O)c1ccc(NC(C)=O)cc1 48044511 GKWOLORXXZSLJQ-UHFFFAOYSA-N 307.375 1.949 0 40 DDAB Cc1nonc1NC(=O)c1cc(OCc2ccccc2)ncn1 225534725 FHFZPCQQVPWNGP-UHFFFAOYSA-N 311.301 1.999 0 40 DDAB CNC(=O)c1ccc(=O)n(Cc2noc(-c3ccccc3)n2)c1 195533561 XOGRUFDGSAHIGR-UHFFFAOYSA-N 310.313 1.306 0 40 DDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCC1(C2CC2)CC1 195571641 FQGLVCWPEREQPG-ZDUSSCGKSA-N 309.454 1.663 0 40 DDAB Cn1cnnc1CN1CCC[C@@H]1C(=O)NCC1CCCCC1 96484094 UUIMNJYHUQEALA-CQSZACIVSA-N 305.426 1.476 0 40 DDAB Cc1cnc(N2CCC3(CC2)C[C@H]3C(=O)N2CCOCC2)nc1 96227809 MUBBTVSSTFRBAS-AWEZNQCLSA-N 316.405 1.250 0 40 DDAB C[C@H](c1ccsc1)N1CCN(C(=O)Cc2cnn(C)c2)CC1 97378514 LGPBUWXKOJAEAG-CYBMUJFWSA-N 318.446 1.930 0 40 DDAB C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 96427693 QCPCBADRPKEHAL-NEPJUHHUSA-N 301.456 1.035 0 40 DDAB Cn1nc(CN2CCCC2)c2c1CN(Cc1ccncc1)CC2 96255900 GWCPZDAPUMDDDG-UHFFFAOYSA-N 311.433 1.969 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(Cc1cccnc1)CC2 96058956 AFESEHYIJVTQOZ-UHFFFAOYSA-N 314.437 1.572 0 40 DDAB CS(=O)(=O)Cc1ccc(NC(=O)N2CCCC2)cc1F 96467906 FKIGPDZHHJCWPY-UHFFFAOYSA-N 300.355 1.998 0 40 DDAB COC[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 96420865 ZBLCRKVADMRZGK-DLBZAZTESA-N 318.417 1.382 0 40 DDAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)CCC(=O)O)COC1 96112602 OIEFITIUWDPAPU-NSHDSACASA-N 317.345 1.397 0 40 DDAB biogenic,in-vitro O=C(N[C@@H]1CN(Cc2nccs2)[C@@H]2COC[C@H]12)C1CCC1 247353773 CSVSABNSQIDDGK-JHJVBQTASA-N 307.419 1.259 0 40 DDAB COc1ccccc1N(CC(=O)NCC(C)C)S(C)(=O)=O 243726694 PRCNZDKFXIBGGH-UHFFFAOYSA-N 314.407 1.233 0 40 DDAB CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 246969447 FZWGJJHRAVNHMT-DZGCQCFKSA-N 313.405 1.726 0 40 DDAB O=C(c1cccnn1)N1CCC2(CC(Nc3ccncn3)C2)C1 257338756 YYVYERPYRBPWSI-UHFFFAOYSA-N 310.361 1.373 0 40 DDAB CC(C)N1CCN(C(=O)CCc2ccc(F)cc2)[C@H](C(N)=O)C1 257215569 CQRXGRXBAWTOFB-HNNXBMFYSA-N 321.396 1.165 0 40 DDAB COc1c2c(c([C@@](C)(N)C(F)F)c3c1OCO3)CCN(C)C2 252481622 CPNHRZOXUMBUNK-OAHLLOKOSA-N 314.332 1.851 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)c2cc3cc(F)ccc3n2C)[C@H]1O 257200645 AEFHDRSGSQQJAS-KCPJHIHWSA-N 306.337 1.586 0 40 DDAB COc1ncc(CN2CCC[C@@H](Cc3nccnc3N)C2)cn1 257274945 NNHRLMLVPIUCGN-LBPRGKRZSA-N 314.393 1.312 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cscn3)CCO2)n1 257335313 YJQANZRVWPCUKY-JTQLQIEISA-N 306.347 1.161 0 40 DDAB Nc1cc(CC[C@H]2CN(Cc3cscn3)CCO2)ccn1 257343304 ZSILTOCPQICPOK-AWEZNQCLSA-N 304.419 1.954 0 40 DDAB Cc1cc(-c2cccc([C@H]3CCCN(S(C)(=O)=O)C3)n2)[nH]n1 257274670 NMAZDVDTRBGNLJ-LBPRGKRZSA-N 320.418 1.919 0 40 DDAB CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)CC(N)=O)c1 283812041 INMATFDRZLOUND-UHFFFAOYSA-N 304.799 1.569 0 40 DDAB CC(C)OCCCNC(=O)C(=O)NCCCc1ccccc1 298116266 RWUMMFFOBYQPKA-UHFFFAOYSA-N 306.406 1.667 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2ccccc2OC)Cc2ccnn21 585113063 YGKYWTMPJYIAQA-OAHLLOKOSA-N 314.389 1.585 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)C2CCOCC2)C1 585279558 ZWYGYDFAZLDSRY-SFHVURJKSA-N 319.401 1.764 0 40 DDAB COCC(=O)NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 585113004 ZVLJXVGHMUJQQK-CYBMUJFWSA-N 318.377 1.186 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1nccc2ccccc12 43512498 MIMJGHVFYXMFOU-HNNXBMFYSA-N 302.355 1.925 0 40 DDAB O=C(CNC(=O)NCc1ccco1)Nc1nc2c(s1)CCC2 56218878 BJTJYHKQVBTKER-UHFFFAOYSA-N 320.374 1.663 0 40 DDAB Cc1nnc(NC(=O)c2ccc(N3CCOCC3)cc2)s1 65523698 MMFAASVTCVVYPD-UHFFFAOYSA-N 304.375 1.935 0 40 DDAB Cc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)[nH]n1 65427981 WSNRKDAFBDRLON-UHFFFAOYSA-N 314.389 1.447 0 40 DDAB Cn1ncc2ccc(CNC(=O)N3C[C@@H](N)C4(CCC4)C3)cc21 1553483566 JKFIWOIUDRUHIW-OAHLLOKOSA-N 313.405 1.596 0 40 DDAB CN(C)c1nccc(N2CCN(c3ncc(Cl)cn3)CC2)n1 301476297 BEZVEEWJMRZMMS-UHFFFAOYSA-N 319.800 1.313 0 40 DDAB CO[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 76067337 NTKCWOFIVPSQCU-DGCLKSJQSA-N 310.781 1.622 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H](N)[C@H](NC(C)=O)C1 95626712 SEYYJZMDDOOQNB-ILXRZTDVSA-N 312.410 1.285 0 40 DDAB in-vitro Cc1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 40487943 RRPXAZPGMKOTAC-UHFFFAOYSA-N 321.134 1.899 0 40 DDAB Cc1cc(C(=O)NCC2(OCCO)CCSCC2)c(C)o1 828765287 BZYJDZAOLBYQDK-UHFFFAOYSA-N 313.419 1.901 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 12345608 PJQDSMBTUHYLFR-CYBMUJFWSA-N 321.764 1.437 0 40 DDAB Cc1nc2n(n1)[C@@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 17029196 YDYMFIBZTNKOAG-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB CC(=O)Nc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1 22917076 USRIDFJUKIIBDG-MSOLQXFVSA-N 317.433 1.676 0 40 DDAB COc1cnc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1c1ccnn1C 1888843121 XPFQSSPHPUYAEI-ZIAGYGMSSA-N 312.373 1.907 0 40 DDAB O=C1[C@H]2CN(c3ncccn3)C[C@@H]2C(=O)N1Cc1ccccc1 1888849672 GSACZENSDOKKET-KBPBESRZSA-N 308.341 1.098 0 40 DDAB CCN(CC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1 38450519 WKDQSQCAQLRUIM-UHFFFAOYSA-N 316.405 1.517 0 40 DDAB CCN(CC)C(=O)CN1CCC(O)(COc2ccccc2)CC1 2037908860 BIHRATXNLSYYOY-UHFFFAOYSA-N 320.433 1.761 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cn[nH]c3)C[C@H]2C1 1203091066 SLACDTCDINDLBJ-KBPBESRZSA-N 302.403 1.675 0 40 DDAB O=C1CC[C@]2(CCCN(C(=O)Cc3ccc(F)cn3)CC2)N1 1614932189 JMDBCXQVOMHEMO-INIZCTEOSA-N 305.353 1.425 0 40 DDAB CNC(=S)N1CCN(C(=S)c2ccc(OC)cc2)CC1 10272160 DZPDXBVSTLLPDC-UHFFFAOYSA-N 309.460 1.493 0 40 DDAB Cc1ccc(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1F 12227541 FOTQJFLVBSZNNH-UHFFFAOYSA-N 314.320 1.823 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CNC2CCN(S(C)(=O)=O)CC2)o1 30656979 KZSUYVXWPULWCT-FZMZJTMJSA-N 312.435 1.917 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ccncc2)CC1 30880492 GNDJWTXFZXHELM-UHFFFAOYSA-N 313.405 1.323 0 40 DDAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C)C(N)=O)c12 40488079 FZFFSKPBBKXVKU-MRVPVSSYSA-N 314.301 1.395 0 40 DDAB CCc1cccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 40456765 QNNKAPHYCXAOEZ-OAHLLOKOSA-N 311.403 1.321 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc2c(c1)OCCO2 20319641 OVGDRRCZHSNRIC-UHFFFAOYSA-N 301.258 1.198 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)C1=NN(C)C(=O)CC1 40541261 HVOGVBWZOUHFTR-UHFFFAOYSA-N 309.753 1.573 0 40 DDAB c1ccc([C@@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)cc1 40512420 IAPHXYRFXIIUDM-CQSZACIVSA-N 324.388 1.838 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCCc1cn2ccccc2n1 40523642 FRTXAGZDMJXWRE-SNVBAGLBSA-N 315.295 1.960 0 40 DDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)c1ccccc1 31790618 OIEACFWCNQPHQA-UHFFFAOYSA-N 314.732 1.965 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2cccnc2)C1 2527359 ISFDXNHYDDELLC-CHWSQXEVSA-N 321.377 1.806 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 3318051 FYMKAWNCAQVQCK-UHFFFAOYSA-N 300.314 1.131 0 40 DDAB O=C(O)C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3CC(=O)O 277954 IUKYJNCDSUILBM-UWVGGRQHSA-N 306.226 1.059 0 40 DDAB biogenic CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1OC 4580925 DRROKCFMXVRXHO-ZETCQYMHSA-N 314.725 1.350 0 40 DDAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NC1CC1 6602771 FBKSVWWVENBYJN-UHFFFAOYSA-N 318.398 1.787 0 40 DDAB C[C@@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)CCO1 29790037 YLYIPBFHZGTFQN-SNVBAGLBSA-N 309.391 1.060 0 40 DDAB C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)N1CCCCC1 32441165 FSSWDWBHRRFVKD-KBPBESRZSA-N 303.472 1.570 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CC(=O)OC12CCCCC2 57355685 UFHMWIONYLDDCL-AWEZNQCLSA-N 319.405 1.919 0 40 DDAB CCNC(=O)NC(=O)CNc1cc(C(=O)OC)c(F)cc1F 32788529 NOTKDEYWZTUOPK-UHFFFAOYSA-N 315.276 1.009 0 40 DDAB COc1ccc(-n2nnnc2SCc2nnc(C)o2)cc1 7988199 AMZOZOWCVPKMMW-UHFFFAOYSA-N 304.335 1.655 0 40 DDAB COc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1OC 2642815 SMQIDZNBDUTMIF-UHFFFAOYSA-N 306.362 1.446 0 40 DDAB CN(C)c1ccc(NC(=O)c2sccc2-n2cnnn2)nc1 69535431 SCDXOILQOORZAB-UHFFFAOYSA-N 315.362 1.437 0 40 DDAB Cc1ccc([C@H]2CN(CCN3C(=O)CNC3=O)CCO2)c(C)c1 89612111 LGNUBVDPVFKUCK-OAHLLOKOSA-N 317.389 1.229 0 40 DDAB CN1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1 68880802 NDRIARBJMBZRKM-UHFFFAOYSA-N 304.398 1.017 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 100634825 GWGHUUDNESIALH-RSUWNVLCSA-N 319.744 1.799 0 40 DDAB COC(=O)c1ccc(CN(C)C(=O)NC[C@@H]2CCOC2)cc1 47067550 BHGXFJQFNWMKEA-ZDUSSCGKSA-N 306.362 1.651 0 40 DDAB Cc1noc(C2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 54665303 IEFNKCYZNDODNK-UHFFFAOYSA-N 304.350 1.932 0 40 DDAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 27975143 NNZAPILDNBQQLW-FZMZJTMJSA-N 323.414 1.246 0 40 DDAB COc1ccc(OCCn2cc(-c3nnco3)ccc2=O)cc1 43240764 FOENQYDZHDFAFB-UHFFFAOYSA-N 313.313 1.986 0 40 DDAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCNC1=O 12552330 HVUHUCNTVPQCAM-LLVKDONJSA-N 301.346 1.977 0 40 DDAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc2cn[nH]c2c1 25790175 QPVDHOPPEWCVDQ-UHFFFAOYSA-N 320.308 1.928 0 40 DDAB CC(C)NC(=O)CN1CCN(C(=O)CCc2ccsc2)CC1 26337099 WMTNSGLKTWQTIS-UHFFFAOYSA-N 323.462 1.350 0 40 DDAB Cc1ccc(C)c([C@H](C)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 57456762 JNEKDFZFRVTCIW-UONOGXRCSA-N 324.446 1.257 0 40 DDAB O=C([C@@H]1CSCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC1 108457277 UVZMJZJBXBHKFJ-FVCCEPFGSA-N 310.419 1.078 0 40 DDAB Cn1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1=O 44596183 XVRGVTSFEZCJCZ-UHFFFAOYSA-N 311.385 1.343 0 40 DDAB C[C@H](CNC(=O)[C@H]1COc2ccccc2O1)CN1CCCC1=O 58004391 COVLAEZFNRAKLR-IUODEOHRSA-N 318.373 1.201 0 40 DDAB O=C(Cn1cccn1)NC[C@H](c1ccco1)N1CCCCC1 44896905 BZQKXSWMROEQOW-CQSZACIVSA-N 302.378 1.820 0 40 DDAB COCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 20227713 JLTFQRBTQBEUFL-UHFFFAOYSA-N 308.309 1.760 0 40 DDAB C[C@@H](CNC(=O)[C@@H](C)OCc1ccccc1)N1CCOCC1 48162694 QQYBXDMIVBRRGL-LSDHHAIUSA-N 306.406 1.429 0 40 DDAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(C)on3)C2=O)cc1 12734021 XNFQNROMTRZCEY-MRXNPFEDSA-N 315.329 1.959 0 40 DDAB O=C(NC[C@@]1(O)CCSC1)[C@@H]1CCN(C2CCCCC2)C1 304702203 JTXKJBFRASCWTD-CJNGLKHVSA-N 312.479 1.625 0 40 DDAB O=C(Cc1ccc2c(c1)CCCC2)NCC(=O)N1CCCC1 48325485 IEZVMTQNDJDCDY-UHFFFAOYSA-N 300.402 1.847 0 40 DDAB CN(Cc1cccs1)C(=O)CSc1nc(N)cc(N)n1 3405863 HMZOYESBDFHZNT-UHFFFAOYSA-N 309.420 1.453 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@@H](C)C1)C2=O 4308960 YRGYULRTPKKTRM-IIYDPXPESA-N 321.421 1.746 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1ccc2ncsc2c1 4326591 WTRKVDLQHFLKBP-UHFFFAOYSA-N 305.315 1.005 0 40 DDAB Cc1c(C(=O)N[C@@H](C)CCC(C)C)cnn1-c1ccc(=O)[nH]n1 65406020 PPOKLDUXMFXROB-NSHDSACASA-N 317.393 1.819 0 40 DDAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1nncs1 21215169 LKOYEGVQQXEKJG-UHFFFAOYSA-N 318.358 1.682 0 40 DDAB CCn1cc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)cn1 69740963 ZGGVTPOQIFMXKV-HNNXBMFYSA-N 306.410 1.116 0 40 DDAB C[C@H](CNC(=O)Cn1cnnn1)c1c(Cl)cccc1Cl 69707262 SAUXVYVGMVXTFB-MRVPVSSYSA-N 314.176 1.900 0 40 DDAB COc1cccc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 65541789 LOVWTJRPKJYOHE-CYBMUJFWSA-N 303.406 1.484 0 40 DDAB C[C@H](Nc1ccc2nnnn2n1)c1ccc(-n2cncn2)cc1 14136104 VXSZCZDLJDXWOX-JTQLQIEISA-N 307.321 1.273 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633720 JXMQOAYCHZOEPJ-FZMZJTMJSA-N 324.402 1.302 0 40 DDAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C[S@@]1=O 5720751 ONFXWNHSHPQFDF-QOLSBQFWSA-N 320.197 1.999 0 40 DDAB CNC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 5981581 LCHYJJVBVIQGBR-UHFFFAOYSA-N 312.782 1.972 0 40 DDAB Cc1nc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n[nH]1 80023672 SQBPILXTSJSNDK-UHFFFAOYSA-N 320.740 1.548 0 40 DDAB CCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 67068613 SPRIPKAUEXSERO-UHFFFAOYSA-N 305.378 1.431 0 40 DDAB C[C@@H](CN1CCCCC1)NC(=O)Nc1cncnc1N(C)C 96008034 TWNICJXUWKVTJX-LBPRGKRZSA-N 306.414 1.539 0 40 DDAB Cc1cccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)n1 61720822 GKKZTODXEJEVGE-UHFFFAOYSA-N 312.373 1.854 0 40 DDAB CC(C)[C@H](CNC(=O)NCc1cccnc1)N1CCN(C)CC1 71798622 FWLVZKDFTLIWLL-INIZCTEOSA-N 319.453 1.153 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1-c1cccnc1 71821047 QTWBVBRLSVXRJU-CYBMUJFWSA-N 312.373 1.437 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cncn1)Nc1cccnc1 71876459 QTBLPVKWMYWCAO-AWEZNQCLSA-N 300.366 1.166 0 40 DDAB NC(=O)C1CCN(CC(=O)N(Cc2ccsc2)C2CC2)CC1 71824638 KWJZJMYODBJKEH-UHFFFAOYSA-N 321.446 1.436 0 40 DDAB NC(=O)c1cc(N2CCC(n3cncn3)CC2)nc2ccccc12 72280820 SCHRVKGYLHHDBB-UHFFFAOYSA-N 322.372 1.767 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cn1 72235311 YEEAOIOJORRDHH-AWEZNQCLSA-N 315.377 1.776 0 40 DDAB CC(C)c1noc(CCNC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)n1 97049365 YMLYUAHTWOPWLZ-STQMWFEESA-N 324.425 1.928 0 40 DDAB O=C1CSCN1CC(=O)N(Cc1ccccc1)CC(F)F 72303521 YSTXLWQAJCIYEB-UHFFFAOYSA-N 314.357 1.813 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@@H]1CCC[C@@H]1O 84344349 XUBRHAXXBYATOV-GWCFXTLKSA-N 314.332 1.804 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(Cl)c1 76020436 BWEXMTVNVGMRCU-MFKMUULPSA-N 310.781 1.946 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cnc(C)s3)CCO2)n1 76045998 SVSPYWNNAYLRKK-SNVBAGLBSA-N 321.406 1.736 0 40 DDAB CC(C)COC1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1 84544383 GUQFZMWYJMBZDP-ZDUSSCGKSA-N 306.410 1.941 0 40 DDAB C[C@H]1CN(CCNC(=O)[C@@H]2COc3ccccc32)C[C@@H](C)O1 95396677 XBAIWEBXJMFWHS-VNHYZAJKSA-N 304.390 1.388 0 40 DDAB CC[C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@H]1N1CCOCC1 84736008 BLMHUAJYNQBASV-CZUORRHYSA-N 319.405 1.273 0 40 DDAB C[C@H]1CCc2c(F)cccc2[C@@H]1NCCCNS(C)(=O)=O 95419592 LCTVEPCDTZVMHZ-XHDPSFHLSA-N 314.426 1.978 0 40 DDAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1C(N)=O 95454959 QRWCHPRMRNYFDH-CYBMUJFWSA-N 305.378 1.861 0 40 DDAB C[C@@H](CC(=O)N1CCCCCC1)NCC(=O)NCC(F)(F)F 95421087 REMQESCSZFJGTO-NSHDSACASA-N 323.359 1.436 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)COc1cn(C)c(C)cc1=O 95472259 LLXRFVMGNISSEW-UHFFFAOYSA-N 304.350 1.062 0 40 DDAB O=C(NCc1ccccc1-n1ccnc1)NC[C@H]1CCC[C@@H]1O 73865647 VMOVNFIUDKHIQH-ZBFHGGJFSA-N 314.389 1.833 0 40 DDAB CCOCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C)c1 78819666 ZNBFZPDPPCWZRU-ZDUSSCGKSA-N 308.403 1.872 0 40 DDAB Cc1ncsc1CCN1CCO[C@H](CNc2cccnn2)C1 78893719 GGRMQAVBWLHPHB-CYBMUJFWSA-N 319.434 1.597 0 40 DDAB CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1 95955402 FCPVCCZDSCRPKZ-ZDUSSCGKSA-N 314.345 1.435 0 40 DDAB COc1ccc(C[C@H](C)CNC(=O)[C@@H]2CN(C)CCO2)cc1 89298559 VGMHEWGTGHSKHE-BBRMVZONSA-N 306.406 1.321 0 40 DDAB CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3C)CC2)n1 79022245 NWEOXIUIVCMRPC-YNEHKIRRSA-N 322.409 1.467 0 40 DDAB COc1cc(CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)ccn1 79105786 MNDLJGDYIHRITI-GDBMZVCRSA-N 313.357 1.548 0 40 DDAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCOCC1 38832743 TWLZPPJQBHNKPL-HNNXBMFYSA-N 306.381 1.897 0 40 DDAB COc1ccccc1N1C[C@@H](C(=O)NCc2ccco2)CC1=O 39918177 KSLKPCAFBBVSJG-LBPRGKRZSA-N 314.341 1.958 0 40 DDAB Cn1cc(CC(=O)NCCn2ncccc2=O)c2ccccc21 38510254 QFTCYLJJTPJFRM-UHFFFAOYSA-N 310.357 1.094 0 40 DDAB COc1ccc(OCCCn2nc3cnccn3c2=O)cc1 181692065 LHWKEGWMALKQHL-UHFFFAOYSA-N 300.318 1.369 0 40 DDAB Cc1nnc2ccc(-c3noc([C@H]4CN(C)C[C@@H](C)O4)n3)cn12 527545663 XROCZNQSBUBLMC-BXKDBHETSA-N 314.349 1.479 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c(C)c1 133862175 KNTCFFLZTMQVCY-UHFFFAOYSA-N 306.391 1.960 0 40 DDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccoc1 44972574 BQXRUEBTXONLNI-LBPRGKRZSA-N 300.380 1.214 0 40 DDAB COC(=O)C1CCC(N[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 192445591 RTJGCPGROMGLDI-ILDUYXDCSA-N 322.327 1.471 0 40 DDAB COC[C@@H](C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 143544680 NSXICKJUXONIPU-LLVKDONJSA-N 319.361 1.829 0 40 DDAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H](C)CCc2cccn2C)C1 194994604 QZDBZUQSSRAPJB-MELADBBJSA-N 321.421 1.987 0 40 DDAB CCn1ncnc1CN1CCN(c2cc(OC)ccn2)CC1 193334526 GONHNMAEFKYROT-UHFFFAOYSA-N 302.382 1.024 0 40 DDAB C[C@@H](O)CNC(=O)NCCN1CCc2c(Cl)cccc2C1 192562914 GDSYONALJIQKKN-LLVKDONJSA-N 311.813 1.378 0 40 DDAB CCOC(=O)C1=Cc2sc(=O)[nH]c2S[C@H]1C(=O)OCC 96318865 MNVUFJVQDDFXFJ-MRVPVSSYSA-N 315.372 1.420 0 40 DDAB CN(C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccs1 96184318 SGQUIUBWPUKNSW-GJZGRUSLSA-N 307.463 1.527 0 40 DDAB c1coc(CN2CCOC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)c1 96052010 BLHKWOAXPKTBKR-SJLPKXTDSA-N 320.433 1.983 0 40 DDAB CCN1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 96254293 FEYAUPVHNNQKGS-UHFFFAOYSA-N 305.426 1.512 0 40 DDAB CC(C)C(=O)N1CC[C@]2(CCN(C(=O)c3cscn3)C2)C1 96203114 YHHXTEJXAUOMIC-HNNXBMFYSA-N 307.419 1.864 0 40 DDAB Cn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1 96227901 OBIZGBQFOGMETI-UHFFFAOYSA-N 302.422 1.901 0 40 DDAB CCOC[C@@H]1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21 96060336 NKENEMILJGWMOF-LBPRGKRZSA-N 313.423 1.188 0 40 DDAB COCCCCS(=O)(=O)N1CCC[C@@H](n2cccn2)C1 97097262 FWZDKCOOVAHSCU-CYBMUJFWSA-N 301.412 1.276 0 40 DDAB CCN(CC)Cc1cnc2n1CCN(c1ncccn1)CC2 96196829 NWCNDBHJLDBYGE-UHFFFAOYSA-N 300.410 1.578 0 40 DDAB Cc1noc([C@H]2CN(Cc3ccccn3)Cc3ccnn3C2)n1 96188852 BKQYUKFGXQUTBX-ZDUSSCGKSA-N 310.361 1.769 0 40 DDAB CC(=O)N1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1 96249855 DHCFLVABMCFQGL-ZIAGYGMSSA-N 322.430 1.766 0 40 DDAB COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1O 524731566 CCHDDLBSMLJUHP-LLVKDONJSA-N 315.325 1.849 0 40 DDAB biogenic CN1C(=O)CCC[C@@H]2CN(C(=O)CCc3ccnn3C)CC[C@H]21 257312702 UPFFLTKCGQMGNX-UKRRQHHQSA-N 318.421 1.212 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(Cc2cccnc2)C1 257227726 FQPXWEAIPOEEEM-GFCCVEGCSA-N 306.391 1.198 0 40 DDAB O=C([C@@H]1CCCOC1)N1CCC(c2ccnc3ccnn23)CC1 257295840 RACNLRNLIDIUOJ-CQSZACIVSA-N 314.389 1.862 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2ccc(F)cc2)n[nH]1 257338199 YWKVTGXAGJSMCT-KCPJHIHWSA-N 319.336 1.220 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CO[C@@H](Cc1ccccn1)C2 257229626 FYVDJTMJEHJYGU-AWEZNQCLSA-N 310.419 1.455 0 40 DDAB Cc1ocnc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257256833 KNBLQCGDIQMPJB-CYBMUJFWSA-N 316.361 1.658 0 40 DDAB CC(C)(C(=O)N1CCC[C@H](Cc2cccnc2)C1)n1cncn1 257259897 LAORMHGKHIYAQQ-OAHLLOKOSA-N 313.405 1.890 0 40 DDAB FC(F)(F)c1cc(N2CCN(c3cnccn3)CC2)ncn1 575615869 HDKPLGLNXCHQJR-UHFFFAOYSA-N 310.283 1.612 0 40 DDAB CC[C@@](C)(O)Cc1cn([C@@H](Cc2ccccc2)C(=O)OC)nn1 585141672 FCFFIYFQVKAYCC-DOTOQJQBSA-N 317.389 1.938 0 40 DDAB CC(C)(C)OC(=O)N(CCCN1CCOCC1)CCC(=O)O 582468949 VBUZRJGQBAGMTJ-UHFFFAOYSA-N 316.398 1.421 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)N1CCC(CO)CC1 44968547 BXDQPLKBVOMTNA-UHFFFAOYSA-N 318.421 1.596 0 40 DDAB CCn1c(=O)n(CCC(=O)NCc2ccncc2)c2ccccc21 48229668 WZKDMQGIZLMJSI-UHFFFAOYSA-N 324.384 1.924 0 40 DDAB CCO[C@@H]1CCCN(C(=O)CCNC(=O)OC(C)(C)C)C1 67521029 SXNALCPSLINSRO-GFCCVEGCSA-N 300.399 1.929 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN(C[C@@H](O)C2CC2)CC1 85436676 TWGSCLOZXZVPOV-OAHLLOKOSA-N 310.344 1.494 0 40 DDAB CC(=O)Nc1cccc([C@H](C)NC[C@@H]2CN3CCN2CC3)c1 90647411 CEMIZWALUMOYFZ-SUMWQHHRSA-N 302.422 1.295 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)s2)C1=O 5006681 NFCSPMMXRJNQSV-QPJJXVBHSA-N 300.723 1.467 0 40 DDAB CCc1nn2c(=O)cc(COC(=O)c3cc(C)no3)nc2s1 5324879 VCTKYWCHIHOWMQ-UHFFFAOYSA-N 320.330 1.367 0 40 DDAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CC1 15658211 LKPYLNWNBHAUMT-UHFFFAOYSA-N 322.430 1.682 0 40 DDAB CCOC(=O)C[C@H](C(=O)OCC)c1nc2ccccc2[nH]c1=O 17060330 RDYOCMZDJUDWJE-JTQLQIEISA-N 318.329 1.523 0 40 DDAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19400165 KTKDWSHOSPOUOK-MRXNPFEDSA-N 323.400 1.885 0 40 DDAB CC(=O)Oc1cc(I)cc(C(=O)O)c1 1705324 GMXFFEOGOIQIDK-UHFFFAOYSA-N 306.055 1.915 0 40 DDAB CC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 13118896 NXJMPLSHDSOLII-ZENOOKHLSA-N 307.390 1.738 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](OCCO)c1cccs1 575606007 GXIOIXVOVSCELC-LBPRGKRZSA-N 323.418 1.578 0 40 DDAB Cc1cc(N2CCN(c3nc(C)ns3)CC2)nc(N(C)C)n1 1889077251 VFHVRNVIXKINQN-UHFFFAOYSA-N 319.438 1.338 0 40 DDAB Cn1c(N2CCO[C@H](C(=O)NC3CC3)C2)nc2ccccc21 1889103083 COHMHXQNTHOEGL-AWEZNQCLSA-N 300.362 1.057 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3CCCO3)c(C)n2n1 27395292 SEECCNSANUNTTC-AWEZNQCLSA-N 316.405 1.882 0 40 DDAB CCc1cnc(OC2CCN(c3nccc(OC)n3)CC2)nc1 1776008098 YOYFAYNLCFRQRQ-UHFFFAOYSA-N 315.377 1.885 0 40 DDAB CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 257333833 YDGMKTHXDXVOLH-ZDUSSCGKSA-N 318.826 1.027 0 40 DDAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@@H](N(C)C)CO2 1614932295 BEKWWFUBQMZPMM-CYBMUJFWSA-N 319.405 1.416 0 40 DDAB Cc1cccc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1 2720277 QIELAXHMCLKKCK-UHFFFAOYSA-N 319.386 1.996 0 40 DDAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccccc1 4495808 SLBXWXBAVMTEPO-UHFFFAOYSA-N 321.358 1.248 0 40 DDAB O=C(NCc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2 17200328 DYOSSEAFFQRUOT-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB CCN1C[C@@H]2CN(C(=O)Cc3noc4ccccc34)C[C@@H]2C1=O 2055772897 SKCSNMPUYABWCF-YPMHNXCESA-N 313.357 1.307 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2ccnn2)C1 1775967309 LRVZJWNFOAJVOH-UHFFFAOYSA-N 310.354 1.046 0 40 DDAB O=C(CN1CCC[C@@H](NC(=O)C2CC2)C1)Nc1ccc(F)cc1 1006515371 OCBZXGILKRIHRH-OAHLLOKOSA-N 319.380 1.755 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)/C=C/c1ccco1)C2 618257560 XWGKKNCMTHEOLQ-CFNZNRNTSA-N 312.373 1.823 0 40 DDAB CCCCN(C)S(=O)(=O)NCc1cnn(-c2ccccc2)c1 40086230 RBVXTOLLEYFZHQ-UHFFFAOYSA-N 322.434 1.939 0 40 DDAB COc1ncccc1CNC(=O)c1ccc2c(c1)CCC(=O)N2 30305358 UYIIHHOUKMICJF-UHFFFAOYSA-N 311.341 1.905 0 40 DDAB CCc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 30584102 OITWCEJWHQSRSC-OAHLLOKOSA-N 324.446 1.793 0 40 DDAB COc1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 195371 MMAKVYGQZJJUMP-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)N1CCc2ccccc21 40498857 FRCALFRXBUYFKC-CYBMUJFWSA-N 309.387 1.170 0 40 DDAB CCOc1ccc(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40467444 NACOHZAFVCMXTK-ZDUSSCGKSA-N 311.403 1.273 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(Cl)c(OC)cc1OC 20301506 GOEKXHGWHFBPMH-SSDOTTSWSA-N 315.757 1.613 0 40 DDAB CCn1nnnc1SCC(=O)c1cc(OC)ccc1OC 419661 FXMHQCXSTVGXPN-UHFFFAOYSA-N 308.363 1.685 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(C)c(C)c1 569482 LYHAIXDJMDJPJV-UHFFFAOYSA-N 318.406 1.827 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CCC(=O)NC1 40540585 OCLVZIYHJJAFMI-CYBMUJFWSA-N 312.373 1.954 0 40 DDAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 40520779 MXVJYEFAVFHJHI-CYBMUJFWSA-N 310.357 1.772 0 40 DDAB O=C(CNS(=O)(=O)c1ccccc1)Nc1ccccc1F 256118 QWYHXCVMIIJNOB-UHFFFAOYSA-N 308.334 1.743 0 40 DDAB CCOc1cc(CO)cc(Br)c1OCC(=O)O 4364748 MDRGTPABWNMYHQ-UHFFFAOYSA-N 305.124 1.804 0 40 DDAB C[C@H]1CN(CC(=O)NCCc2c[nH]c3ccccc23)C[C@H](C)O1 20963706 PLJGCZBSRWCTTN-KBPBESRZSA-N 315.417 1.936 0 40 DDAB CCc1nn(C)cc1NC(=O)N1CCCN(C(=O)C(C)C)CC1 91197449 YTGJOUHNIFAXKJ-UHFFFAOYSA-N 321.425 1.705 0 40 DDAB COc1cccc(CN(C)C(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1 32675001 SBSJYMHOMFBGBS-WFASDCNBSA-N 304.390 1.816 0 40 DDAB COc1ccc(OC)c(N2C(=O)C[C@H](SCCO)C2=O)c1 101418260 LMGDIJKXYOXFMP-LBPRGKRZSA-N 311.359 1.061 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 419581 ZVZJPSJDXDVKMZ-UHFFFAOYSA-N 307.357 1.965 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCCc2ccccc21 103061754 INUOGWPTZUAYSJ-GASCZTMLSA-N 324.380 1.917 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccncc1 46629236 CSNJMCOFGHOMKW-WCQYABFASA-N 311.407 1.073 0 40 DDAB CC(=O)N[C@H](CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 32975497 FOYZSEXBRYRPPK-XJKCOSOUSA-N 304.390 1.890 0 40 DDAB Cc1cccc(N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)c1 32926776 JXIGGMDPNVGPQU-ZDUSSCGKSA-N 310.419 1.077 0 40 DDAB C[C@H](NC(=O)c1cccc[n+]1[O-])c1ccc2c(c1)CCC(=O)N2 53802062 YSMJNUBHRALTLF-NSHDSACASA-N 311.341 1.696 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(F)c2)C1 57318830 BZEGGEYKKBCJNX-TZMCWYRMSA-N 322.380 1.829 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)C(C)(C)C)cc1 12588440 RKZSHVYKFCAJOJ-JTQLQIEISA-N 320.393 1.927 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C3C4[C@H]5C=C[C@H]4[C@@H]([C@@H]15)[C@@H]32 104287308 AOHYTJBOCPQEPM-SMWFFDRCSA-N 305.337 1.204 0 40 DDAB NC(=O)c1ccccc1NCC(=O)NCc1ccccc1F 24225319 BEQBNXNDOSZIJG-UHFFFAOYSA-N 301.321 1.653 0 40 DDAB COC(=O)c1sccc1O[C@@H](C)c1ccnc2nc(N)nn12 1400480 URLXXHDSZJNMLV-ZETCQYMHSA-N 319.346 1.695 0 40 DDAB C[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1ccccn1 25405504 ILNDQJGKFIYGRK-CYBMUJFWSA-N 313.357 1.454 0 40 DDAB O=C(CN1CCCc2ccccc21)NCCCN1CCCC1=O 25406054 LMAQQCCAKOOCPG-UHFFFAOYSA-N 315.417 1.568 0 40 DDAB C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)C(N)=O 56585814 ADKWMXPBSVNNLJ-ZCFIWIBFSA-N 310.151 1.534 0 40 DDAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC2(CC1)OCCO2 56636807 OVWYNCNZZOOIJF-HNNXBMFYSA-N 316.357 1.545 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164963 YOSQVIZRCPFPLC-HIFRSBDPSA-N 322.430 1.317 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Br)o1 44427593 KTDPBKJZVPKZJP-YUMQZZPRSA-N 315.167 1.768 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1ncc(C)s1)C(F)(F)F 2050400 QTEQIMYEVYIVQC-SECBINFHSA-N 311.285 1.431 0 40 DDAB CCOc1ccc(-c2noc(CN(CC(N)=O)C(C)C)n2)cc1 44871105 DSAODVMWZHETHH-UHFFFAOYSA-N 318.377 1.831 0 40 DDAB CN1CCO[C@@H](CNC(=O)Cn2ccc3ccc(Cl)cc32)C1 58265479 JCFGPNIFWOJBBO-AWEZNQCLSA-N 321.808 1.742 0 40 DDAB C[C@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)[C@@H](C)CO1 44909624 AJBOWSRHQSTILO-STQMWFEESA-N 317.389 1.366 0 40 DDAB COc1ccc(CCNS(=O)(=O)N2CCCC[C@@H]2C)cc1 27935645 ZEFDYHGXNFCLSV-ZDUSSCGKSA-N 312.435 1.947 0 40 DDAB OCC1CCN(CCCc2nnnn2-c2ccccc2)CC1 58412500 ZUANJDLVZFJFPF-UHFFFAOYSA-N 301.394 1.299 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(OCC)c1 58401536 RXFUUQREZFIATR-NWDGAFQWSA-N 307.394 1.970 0 40 DDAB CCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244530 DLTJXTWXUIRXHT-UHFFFAOYSA-N 313.423 1.052 0 40 DDAB C[C@H]1COCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 48274674 BKJYLVJTIIMZJH-ZDUSSCGKSA-N 315.373 1.412 0 40 DDAB NC(=O)C1CCN(CCCNc2ncnc3ccccc23)CC1 48346057 AEOTUJANJOULSZ-UHFFFAOYSA-N 313.405 1.629 0 40 DDAB COc1ncccc1NC(=O)NCc1cccnc1N(C)C 48413951 RGRLARRGQVORAR-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nccn1C 69348637 PBZCOSIXOCZNNW-GFCCVEGCSA-N 313.423 1.126 0 40 DDAB S=C1N[C@@H](c2ccco2)N2C(=S)N[C@H](c3ccco3)N12 17004186 MVQUTNOUSMMRAW-AOOOYVTPSA-N 306.372 1.865 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cn1 49201000 KUZFDFWJOCPKQL-OAHLLOKOSA-N 301.390 1.655 0 40 DDAB Cc1ccc(N2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)nn1 69493108 ZUYGPAPVHOSYRL-HNNXBMFYSA-N 318.421 1.783 0 40 DDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccncc2)c1C 13691165 SGTZLPMYPDVNIX-UHFFFAOYSA-N 301.350 1.170 0 40 DDAB O=C(O)c1nnn(-c2nccs2)c1-c1ccc2c(c1)OCO2 62425056 FKOCNSRRSRNQQR-UHFFFAOYSA-N 316.298 1.818 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1cccc2c1OCO2 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CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 69807824 KGDGPVZHARLOSB-HZPDHXFCSA-N 320.408 1.844 0 40 DDAB CS(=O)(=O)c1ccccc1-n1cc(NCc2ncc[nH]2)cn1 92568815 ZTDBQIUYVRMXRY-UHFFFAOYSA-N 317.374 1.611 0 40 DDAB Cc1cccn2cc(CN3C[C@H](C(N)=O)Oc4ccccc43)nc12 8718761 XXKBKSSJCUFSAS-MRXNPFEDSA-N 322.368 1.896 0 40 DDAB Cc1ncn(Cc2ncnn2C(C)C)c(=O)c1Br 90766402 PFUBCNAAPXNKGL-UHFFFAOYSA-N 312.171 1.535 0 40 DDAB COc1cccc(-c2nnn(Cc3ccc(C(N)=O)cc3)n2)c1 16114884 BVSYXYCGNYTGLY-UHFFFAOYSA-N 309.329 1.496 0 40 DDAB Cc1cnc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cn1 18700468 FVVFTOFZNKEAKN-UHFFFAOYSA-N 305.359 1.749 0 40 DDAB COCCN1CCc2c(cccc2-n2nnc(C(=O)O)c2C)C1 68592592 AZURGSXWFUGNBD-UHFFFAOYSA-N 316.361 1.278 0 40 DDAB Cn1c(N)c(-c2csc(-c3ccccc3)n2)c(=O)n(C)c1=O 9691595 MNDUBILACIKQLK-UHFFFAOYSA-N 314.370 1.457 0 40 DDAB Cn1cc(CNC(=O)c2ccc(O)cc2O)c(C(F)(F)F)n1 96004011 KENPSKAPXKZBDY-UHFFFAOYSA-N 315.251 1.780 0 40 DDAB CCN(CC)CC(=O)N1CCN(CCCc2ccncc2)CC1 96012947 SFQGXLYKRQHKIW-UHFFFAOYSA-N 318.465 1.500 0 40 DDAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1ccc(Cl)cn1 9418378 XRXWZNUMBRARBB-UHFFFAOYSA-N 319.748 1.738 0 40 DDAB C=CC(=O)NCCNC(=O)c1cc(Br)ccc1C 96426463 RMSWDYOZXKFLCO-UHFFFAOYSA-N 311.179 1.790 0 40 DDAB COC(=O)[C@H](NCc1nnnn1-c1ccccc1)C(C)(C)C 96461352 ONNDCGUQNZCXQO-ZDUSSCGKSA-N 303.366 1.340 0 40 DDAB Cc1ccccc1CNC(=O)CSCCS(C)(=O)=O 71884081 OXSABDYBIVUGLH-UHFFFAOYSA-N 301.433 1.389 0 40 DDAB O=c1cc(CN2CCCC[C@@H]2Cn2cncn2)nc2ccccn12 71876217 URZGUYBFILRJBE-OAHLLOKOSA-N 324.388 1.341 0 40 DDAB O=C1[C@H]2CCCN2C(=O)N1C[C@@H](O)COCc1cccs1 71877698 GJKFZDBUXPYTDD-ZYHUDNBSSA-N 310.375 1.052 0 40 DDAB Cc1noc2ncc(C(=O)N3CCN(CC(C)(C)O)CC3)cc12 71881841 ISWRBZIGQGSGHO-UHFFFAOYSA-N 318.377 1.060 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NCCCCn2ccnc2)c1C 71820117 UHTJVHGHTSWXBK-UHFFFAOYSA-N 318.377 1.825 0 40 DDAB COCC[C@H](C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1 84185468 DAGNNGMLZCIVJT-LBPRGKRZSA-N 300.424 1.764 0 40 DDAB CCN1CCCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 89977257 LLTYOIHNXFJBFH-ZDUSSCGKSA-N 318.421 1.140 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(c3ccc4nnnn4n3)C2)no1 72279255 FUTFUAPVHASLMN-SNVBAGLBSA-N 314.353 1.410 0 40 DDAB CS(=O)(=O)CCC(=O)NCCc1c[nH]c2ccc(F)cc12 72287001 JARUPEMSRDQVFV-UHFFFAOYSA-N 312.366 1.400 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 72269212 SZZQVIIYMBVWPI-IAGOWNOFSA-N 302.418 1.975 0 40 DDAB O=C(CCc1cccs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269116 GMXFKUYGWVXPNH-CABCVRRESA-N 308.447 1.738 0 40 DDAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)C(=O)NCC(F)(F)F 72299761 LTZATHKFLSTRFA-GXSJLCMTSA-N 318.343 1.937 0 40 DDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCCNC(N)=O 76017378 QMJPTQHOPRFSIP-JTQLQIEISA-N 313.785 1.672 0 40 DDAB COC(=O)[C@@H](O)C1CCN(Cc2ccc3ccccc3n2)CC1 95432448 PABMXJIDYRBGQV-KRWDZBQOSA-N 314.385 1.981 0 40 DDAB Cc1nnnn1-c1cc(NC(=O)NC[C@H]2CCCO2)ccc1F 69716734 DWDRYTLSTPXJJT-LLVKDONJSA-N 320.328 1.410 0 40 DDAB C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95979362 CUKCVXNXGXGABH-NCZKRNLISA-N 306.406 1.413 0 40 DDAB CCNC(=O)CN1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 95948472 PSPXQICGJXRTPO-LBPRGKRZSA-N 323.441 1.182 0 40 DDAB c1ccc(OCCN2CCO[C@H](CNc3cccnn3)C2)cc1 78893479 NCCIXSGDVHCUDP-MRXNPFEDSA-N 314.389 1.668 0 40 DDAB COC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)CCO3)CC1 89598270 QKTORDVSCHQALY-CYBMUJFWSA-N 304.390 1.301 0 40 DDAB CS[C@H](C)C(=O)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 75108909 OJZBIDLPEIWRKZ-HIFRSBDPSA-N 320.458 1.945 0 40 DDAB CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Oc1ccccc1C 79019061 CJZRZQQELUQLAZ-LBPRGKRZSA-N 301.346 1.666 0 40 DDAB Cn1cc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 79476822 ZMFJUFKCKGJWDE-CYBMUJFWSA-N 320.414 1.414 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 27477250 IVAJPKYIHJNJFM-UHFFFAOYSA-N 315.377 1.317 0 40 DDAB COCC(=O)Nc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 27978222 AZJIBEHJFFCQDG-TXEJJXNPSA-N 306.362 1.521 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1SC2=NCCN2C1=O 36635299 YZYSMZALHXQNJT-GFCCVEGCSA-N 303.387 1.891 0 40 DDAB O=C1N[C@@H](CC(=O)N2CCSCC2)C(O)=Nc2ccccc21 32090350 PEFXANOCTRTDKT-LBPRGKRZSA-N 319.386 1.352 0 40 DDAB CCOC(=O)N1c2ccccc2S[C@@H]2CS(=O)(=O)C[C@H]21 217356024 XLZZRDWIADKFOT-ZYHUDNBSSA-N 313.400 1.921 0 40 DDAB Cc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c(=O)[nH]1 79350044 SWPVJTMKONXNMA-MRXNPFEDSA-N 322.311 1.599 0 40 DDAB O=C(N[C@H](C1CC1)[C@@H]1COCCO1)[C@@H]1CCCn2nccc21 1551782074 NZOOXDCERCKMIM-VHDGCEQUSA-N 305.378 1.071 0 40 DDAB O=C(N[C@H]1C[C@H](NC(=O)c2cocn2)C12CCC2)c1cocn1 1025896045 RHQVHVYTYNUIGA-RYUDHWBXSA-N 316.317 1.134 0 40 DDAB Cc1ccc(-c2nc(CNC(=O)c3ccc(=O)n(C)n3)co2)cc1 73301211 SSEWTUDCNRXRAV-UHFFFAOYSA-N 324.340 1.674 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 72383541 KZXOAMTZCIGSFA-NSHDSACASA-N 318.406 1.873 0 40 DDAB O=C(O)c1ccc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1 558270599 CVKFPZWFFQXSQS-GFCCVEGCSA-N 324.402 1.435 0 40 DDAB NC(=O)c1ccc(NC(=O)CCCc2nnc3ccccn23)cc1 72402318 FTICPFFNLFFQMV-UHFFFAOYSA-N 323.356 1.790 0 40 DDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccccc1Cl 40386543 ZHBHBHPJRKMPOE-QMMMGPOBSA-N 305.725 1.529 0 40 DDAB Cn1cc([C@H](O)CNC(=O)c2sccc2OC(F)F)cn1 73147632 QGROJMWZHWJSOE-MRVPVSSYSA-N 317.317 1.546 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 40284528 ASTIIPLUFLEDIX-OCCSQVGLSA-N 314.407 1.607 0 40 DDAB COC(CN1CCCN(C(=O)c2ccc(F)cc2)CC1)OC 136763967 NNXRXQPDFSQBBF-UHFFFAOYSA-N 310.369 1.593 0 40 DDAB CC(=O)Nc1ccc(NC(=O)COc2c(C)occc2=O)cc1 40267956 UPCWGGVGZQYQHX-UHFFFAOYSA-N 316.313 1.924 0 40 DDAB Cc1cnccc1NC(=O)N1CC[C@H](CN2CCOCC2)C1 133345848 DJQVGXWYMBNKPX-CQSZACIVSA-N 304.394 1.576 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 40287669 YEEUCYVAIHDEHR-UHFFFAOYSA-N 318.299 1.107 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)Nc1cccc2nsnc12 225651046 SKIIPGRRVGYDOU-UHFFFAOYSA-N 316.342 1.651 0 40 DDAB CN(c1cc(C(=O)NC2CC2)ccc1Cl)S(C)(=O)=O 225972573 JTBCNKGXHYJYFA-UHFFFAOYSA-N 302.783 1.628 0 40 DDAB CCc1noc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)n1 96455920 JPWDIDGMBXBLHM-AWEZNQCLSA-N 308.769 1.776 0 40 DDAB CS(=O)(=O)CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96414972 VMONHUVDAPPZCW-ZDUSSCGKSA-N 313.394 1.765 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccccc2)O1 96183596 IMPCVBDWILMPBO-YESZJQIVSA-N 300.402 1.945 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 96184725 RSFQWPMJBAVRJY-JKSUJKDBSA-N 309.373 1.361 0 40 DDAB CCc1cnc(CNC(=O)NCCC(=O)N2CCCCC2)s1 95404474 BJAQLPNAHRVIOT-UHFFFAOYSA-N 324.450 1.907 0 40 DDAB Cn1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)cn1 96038707 QFYJESLBGZJRRM-NVXWUHKLSA-N 318.421 1.024 0 40 DDAB O=C(c1cscn1)N1CCC2(CCN([C@@H]3CCOC3)CC2)C1 96157485 UVDALFBDHYKDLK-CYBMUJFWSA-N 321.446 1.860 0 40 DDAB COCCN1CCN(c2ccc(C)nn2)Cc2ccc(C)nc21 96199027 PQRPTKPWTMIAED-UHFFFAOYSA-N 313.405 1.961 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 96043238 KBCMLLPJUCQKQL-JQHSSLGASA-N 314.429 1.987 0 40 DDAB COc1cc(C=O)c(Cl)cc1OCC(=O)N1CCOCC1 95095108 WXRFUFQOOLNIGA-UHFFFAOYSA-N 313.737 1.399 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 96053951 ZYYBXRGFZWERFN-QWRGUYRKSA-N 317.370 1.580 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2nccs2)C1 97199812 KXINFSDZBGRYED-QWHCGFSZSA-N 303.387 1.743 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 96055816 ANQDOOFIDPPQBQ-KGLIPLIRSA-N 312.460 1.889 0 40 DDAB O=C(c1ccco1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96050799 RBTWSWLXVNQYMZ-KRWDZBQOSA-N 311.341 1.944 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3ccnnc3)CCO2)c1 257215805 CRTGLIJCPBPCNV-OAHLLOKOSA-N 313.361 1.435 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2F)no1 257282332 OTIRYTFJKLTULE-UXIGCNINSA-N 320.320 1.485 0 40 DDAB COc1cccc(CC(=O)N2CCO[C@H](c3cnccn3)C2)c1 257223312 DWUWUYFNXPKCAD-INIZCTEOSA-N 313.357 1.628 0 40 DDAB COc1ccc([C@H]2CNCCN2CC(=O)N2CCCCC2)cc1 257332323 XWTPXXNKGQCSOD-QGZVFWFLSA-N 317.433 1.654 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 253472358 LNBGMQULOBWNDZ-UHITTWDOSA-N 323.414 1.913 0 40 DDAB CC(C)c1noc(CCC(=O)N2CC[C@H](c3ccn[nH]3)C2)n1 257252455 JUVCCOWWHRAMIF-NSHDSACASA-N 303.366 1.865 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2cccc(-c3cc[nH]n3)n2)C1 257260804 LELIWOYZIONZLT-LBPRGKRZSA-N 300.362 1.509 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1C 575424501 TUPKDMBHTXCVDO-GFCCVEGCSA-N 315.416 1.201 0 40 DDAB CO[C@H]1CSC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 575403753 NSHICPHXLKZTJZ-GFCCVEGCSA-N 313.444 1.890 0 40 DDAB COc1ccccc1OCCN1C(=O)N[C@@]2(CCSC2)C1=O 53241386 MHQGJMYEXSTNOW-OAHLLOKOSA-N 322.386 1.502 0 40 DDAB C[S@@](=O)c1nncn1CC(=O)N(Cc1ccccc1)C1CC1 71899912 ZKPLDVKCBOURRO-QFIPXVFZSA-N 318.402 1.207 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 74803324 GOKHXSGASSNTFM-VIFPVBQESA-N 314.432 1.352 0 40 DDAB O=C(c1ccncc1F)N1CCN(c2nccs2)C(=O)C1 1565521860 CIWGJLXFONUFHV-UHFFFAOYSA-N 306.322 1.166 0 40 DDAB C[C@H](c1cccnc1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100018629 YJVLFNZBZUJYKU-HMXKMONRSA-N 300.314 1.009 0 40 DDAB O=C(N[C@H]1CCCN(CC(=O)N2CCCCCC2)C1)C1CC1 1006533373 ZYRWPZVGTBNOJZ-HNNXBMFYSA-N 307.438 1.380 0 40 DDAB Brc1cnc(OC2CCN(C3COC3)CC2)nc1 1888834116 OMIJBYKINQYJHY-UHFFFAOYSA-N 314.183 1.481 0 40 DDAB COc1ccc(OC)c([C@@H]2C(C#N)=C(C)OC(N)=C2C(=O)O)c1 5686191 DSSLMUGQZBSAJF-CYBMUJFWSA-N 316.313 1.870 0 40 DDAB Cn1nnc2c(SCC(=O)NCc3ccccc3)ncnc21 13531859 MHEOZJYRWFIHOH-UHFFFAOYSA-N 314.374 1.167 0 40 DDAB CS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 14238796 JNIFKINHBDUQPM-UHFFFAOYSA-N 311.329 1.719 0 40 DDAB CN1C[C@@H](c2cc(=O)[nH]c(NCc3cccc(F)c3)n2)CC1=O 19587510 CIKATQHVUNFKCV-NSHDSACASA-N 316.336 1.467 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](n2ccnn2)C1 206934506 GELBVEBFYMTZNL-LBPRGKRZSA-N 322.390 1.231 0 40 DDAB C[C@H]1NC(=O)N(C)[C@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@H]12 5356314 TYOLRTYWMXRCLK-CUGGJKKHSA-N 314.389 1.709 0 40 DDAB Cc1nc(COC(=O)c2ccc(N3CCOC3=O)cc2)no1 78768524 NKSAJNLSBFBZGI-UHFFFAOYSA-N 303.274 1.692 0 40 DDAB CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1C)S[C@H](C)C2 250219 PSZOLPRNYXACCX-SFYZADRCSA-N 314.432 1.861 0 40 DDAB CC(C)(C)c1ccc(N2CCO[C@@H](C(=O)N3CCCC3)C2)nn1 1889096252 OBJMBNANCRKSKY-CYBMUJFWSA-N 318.421 1.602 0 40 DDAB Cc1ccsc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 28225365 GXRJTZMAIZSOOS-UHFFFAOYSA-N 310.400 1.634 0 40 DDAB Cc1cnccc1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037984538 DYYPGNIQTONDQP-KRWDZBQOSA-N 317.389 1.244 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)c3ccc(O)nc3)CC[C@H]21 2037791326 KVVNBPSCRFHPEI-QWHCGFSZSA-N 303.362 1.260 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc(OC)no1)C2 1146935681 YTSWMRRCHAHJPW-WFASDCNBSA-N 310.350 1.341 0 40 DDAB COc1cc(C(=O)N2CCc3c(CN(C)C)cncc3C2)on1 1565553379 WOOOHMHNRBBWSQ-UHFFFAOYSA-N 316.361 1.338 0 40 DDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]12 1565544398 JQSLYRIHXIKATP-CYLBZQBVSA-N 319.386 1.063 0 40 DDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CCCO1 219240 XFXHLULCNRGLNX-CQSZACIVSA-N 313.357 1.206 0 40 DDAB Nc1nccnc1C(=O)NC1(c2cccc(F)c2)CCOCC1 81367267 RNMQZVYXXZWSCG-UHFFFAOYSA-N 316.336 1.634 0 40 DDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc(-c2ccco2)no1 36717638 PVMVPISSKQGPTD-CYBMUJFWSA-N 320.330 1.257 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)NCCN1CCOCC1 20567976 JATJLVXZQDGKBZ-AWEZNQCLSA-N 310.369 1.432 0 40 DDAB CCn1cnc(NC(=O)NC[C@H]2OCCc3ccccc32)n1 20542465 NJKGBZVWZVCRCS-CYBMUJFWSA-N 301.350 1.734 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc(O)cc1 32104434 JSXHMAUJKPJILU-UHFFFAOYSA-N 324.340 1.916 0 40 DDAB Cc1cc(C)c(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)c1 4334033 YUSZPAFEWLCDHO-UHFFFAOYSA-N 302.330 1.604 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 4687902 KIBKMHKWUBUFEX-RWMBFGLXSA-N 302.440 1.163 0 40 DDAB C[C@H](OC(=O)C1(c2ccccc2F)CCCC1)C(=O)NC(N)=O 7562552 VUQNRGXPGJJZTJ-JTQLQIEISA-N 322.336 1.764 0 40 DDAB CC(C)N(CC(N)=O)CC(=O)NC[C@H]1CCCc2ccccc21 51966333 ZEVFCYFBTAJLQR-OAHLLOKOSA-N 317.433 1.418 0 40 DDAB Cc1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1 21357183 QHDDLGCMKGTDCZ-UHFFFAOYSA-N 303.391 1.133 0 40 DDAB CN1CCN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC1 8091745 QUMAIEFNNCUWPR-UHFFFAOYSA-N 320.433 1.520 0 40 DDAB Cc1ccccc1C(=O)N[C@H](C(=O)O[C@@H](C)C(N)=O)C(C)C 2624759 VVDRUYIKSAKSJQ-AAEUAGOBSA-N 306.362 1.166 0 40 DDAB COCc1ccc(C(=O)OCC(=O)Nc2nncs2)cc1 32908009 ZGOWKOYAVQHMKH-UHFFFAOYSA-N 307.331 1.480 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)NCc2ccccc2)c1CC 83817650 JFUJVMBNUPKBFS-UHFFFAOYSA-N 314.389 1.894 0 40 DDAB COc1ncccc1C(=O)Nc1ccc(C)c(-n2cnnn2)c1 33083532 GMCUCKORQOJIHL-UHFFFAOYSA-N 310.317 1.627 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 110599724 MVXJRKFFFVTDAP-GDBMZVCRSA-N 322.380 1.635 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 23109836 HRDSBUNLKRNUQL-INIZCTEOSA-N 307.394 1.546 0 40 DDAB CN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12390851 IEGNTHCOVZKJMC-LLVKDONJSA-N 309.797 1.371 0 40 DDAB C[C@H]1Cc2ccccc2N1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 104743723 BEFGRFRPLFJVNB-JSGCOSHPSA-N 322.430 1.083 0 40 DDAB O=C(CN1CCSCC1)N1[C@H]2CC[C@H]1c1snnc1C2 100214222 PHCPOWCNYVBSKY-ONGXEEELSA-N 310.448 1.175 0 40 DDAB Cc1nc(NCCS(N)(=O)=O)c2c3c(sc2n1)CCC3 47537544 RIXCGLFHROZZKN-UHFFFAOYSA-N 312.420 1.189 0 40 DDAB CCOC(=O)Cn1nc(C)c(NC(=O)c2ccncc2)c1C 1430218 XNFTWZFKUXXRNT-UHFFFAOYSA-N 302.334 1.710 0 40 DDAB O=S(=O)(Nc1nnc[nH]1)c1ccc(OC(F)(F)F)cc1 61844968 FAFBJBKBDLCFLS-UHFFFAOYSA-N 308.241 1.504 0 40 DDAB CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@H]1CCOC1 106881045 XPJXLPATYHEVFN-LBPRGKRZSA-N 317.389 1.471 0 40 DDAB Cc1nc(C)c([C@H](C)NC(=O)N2CCC(C(N)=O)CC2)s1 56487780 WFCGIBCBRGBBCK-VIFPVBQESA-N 310.423 1.728 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@]1(C)CC1(Cl)Cl 58162450 AAYUITSPNXFCDX-LLVKDONJSA-N 303.193 1.767 0 40 DDAB CN(C)C(=O)CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 58193896 KYIQJVCEEHXQOA-LBPRGKRZSA-N 321.402 1.084 0 40 DDAB COC(=O)Cc1nnn(Cc2coc(-c3ccc(F)cc3)n2)n1 58179895 AXYQHJPVCGBIMC-UHFFFAOYSA-N 317.280 1.231 0 40 DDAB CN1N=C(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)CCC1=O 58166866 XQHCSOJNYVSWSF-LBPRGKRZSA-N 305.382 1.022 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)OC[C@@H]2C)c1C 27642576 UVNDTFKCWPSGAU-VHSXEESVSA-N 308.378 1.710 0 40 DDAB O=C([C@@H]1CCCN(c2ncnc3c2CCC3)C1)N1CCOCC1 58265155 FRRLMXDBGMSNHZ-CYBMUJFWSA-N 316.405 1.041 0 40 DDAB CN(CC(=O)N1CCCC1)C(=O)c1cnc(-c2ccccc2)nc1 58267780 VSDFFMQQTWTDOI-UHFFFAOYSA-N 324.384 1.838 0 40 DDAB C[C@@H](OC(=O)[C@H]1CC(=O)N(C)C1)C(=O)c1c[nH]c2ccccc12 47735222 RBGZQAKWINILQT-MNOVXSKESA-N 314.341 1.761 0 40 DDAB CCCN(CC(=O)N(C)C)C(=O)c1cnc2ccccc2n1 58392880 QLJOOTYUUSRGFK-UHFFFAOYSA-N 300.362 1.570 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 58344174 ZYVPRQXDEAOAHV-JKSUJKDBSA-N 316.401 1.895 0 40 DDAB NC(=O)Cc1csc(NC(=O)CSc2ccccc2)n1 10909198 OXQFQDHLIBXRCY-UHFFFAOYSA-N 307.400 1.902 0 40 DDAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCS(=O)CC1 70039775 JEJFUJNQGZWCEK-OAHLLOKOSA-N 323.414 1.449 0 40 DDAB CC[C@@H]1CCCCN1C(=O)COc1cc(OC)ccc1C(N)=O 48261599 ILKXKFCPOVNGLU-GFCCVEGCSA-N 320.389 1.964 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)c(F)c1 48264491 FYHTWYFTDPIGIB-QMTHXVAHSA-N 324.331 1.583 0 40 DDAB CS(=O)(=O)/N=C(\O)CCCc1nnc(-c2ccccc2)o1 48487297 WXRZNOLACKCBRW-UHFFFAOYSA-N 309.347 1.975 0 40 DDAB COc1ncccc1NC(=O)NC[C@H](O)CN1CCCCC1 48414497 POYTWRWKDQIKCX-LBPRGKRZSA-N 308.382 1.059 0 40 DDAB CCN(C(=O)CN1C(=O)N[C@H](C(C)C)C1=O)c1ccccc1C 12972333 PEOGTQLNISHJLZ-OAHLLOKOSA-N 317.389 1.924 0 40 DDAB CCCCOC(=O)N1CCOCCOCCOCCOCC1 3898928 RHIBEJHUVMPOSC-UHFFFAOYSA-N 319.398 1.305 0 40 DDAB COc1ccccc1CC(=O)N1CCCC[C@H]1C1OCCO1 69417379 VEYSFSVSLQCVIX-AWEZNQCLSA-N 305.374 1.992 0 40 DDAB O=C(COc1ccccc1F)NCCC(=O)Nc1cccnc1 69533150 LJXVIGIIYPRRMV-UHFFFAOYSA-N 317.320 1.745 0 40 DDAB COc1cc(CN[C@H]2CCc3ncnn3C2)cc2c1OCO2 69560231 VOALWRGLUKYTMT-NSHDSACASA-N 302.334 1.120 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1 69592677 HGTVTALPKGVZEU-CQSZACIVSA-N 319.357 1.841 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)c1 20635162 XZTVWIYHHUQXHX-RYUDHWBXSA-N 322.386 1.317 0 40 DDAB CC(C)(C)[C@@H]1CCCC[C@H]1NCC(=O)NCC(=O)N1CCCC1 65493353 CUUZZFVFTXAEDN-HUUCEWRRSA-N 323.481 1.920 0 40 DDAB CCOC(=O)c1cnn(C)c1NC(=O)CN1CCCC[C@@H]1C 65491073 CNGLMGAWJDNFBC-NSHDSACASA-N 308.382 1.410 0 40 DDAB O=C(O)c1ccc(CNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4507121 CXMVNZTYOLHDOJ-RFGFWPKPSA-N 317.341 1.748 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCCCS(=O)(=O)N(C)C)c1 69776707 NDVIINWQCJRMGM-OLZOCXBDSA-N 302.444 1.012 0 40 DDAB O=C(NCCc1ccc(F)cc1)c1cnc2ccccn2c1=O 14848380 YDDSDJAIPLUYMK-UHFFFAOYSA-N 311.316 1.806 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 6934855 DSTBRJRWMCNBJW-OAHLLOKOSA-N 302.374 1.202 0 40 DDAB Cc1nnc(NC(=O)c2nn(-c3ccccc3)ccc2=O)s1 8971661 COWBMQYCTLALSI-UHFFFAOYSA-N 313.342 1.645 0 40 DDAB COCCNC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 69844332 QIISBWDLSGJGOY-CQSZACIVSA-N 305.378 1.237 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 408616824 BEWHDTQAKROOOD-SNVBAGLBSA-N 300.380 1.267 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nnc(C2CC2)o1 69819847 RPTWNBCRNJOXIE-UONOGXRCSA-N 304.394 1.922 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2ccc(OC)cc2)CC1 69876581 KEMASTQRHVTBGK-HNNXBMFYSA-N 306.406 1.153 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 92188545 LHDFDFNXSPMSNV-CYBMUJFWSA-N 303.362 1.405 0 40 DDAB NNc1nc2[nH]nc(N)c2c2c1CN(Cc1ccccc1)CC2 18143088 LIPQMNZBWVKMPG-UHFFFAOYSA-N 309.377 1.384 0 40 DDAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCNC(=O)CC1 80179894 RNSCCJLFOFQUEZ-MEDUHNTESA-N 319.380 1.981 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)COc1cccnc1 69951062 ZHDNAOXZQHZILX-HOTGVXAUSA-N 303.406 1.936 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 9197143 OPRLECRKTFYIIN-KGLIPLIRSA-N 304.390 1.807 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1Cl 71397323 GGNGXHXWFODRNV-VIFPVBQESA-N 304.799 1.379 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89835001 QSDODDLEAUSGME-DLBZAZTESA-N 324.384 1.202 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1C)c1cccs1 89937900 ZOKLFDHKZJNZLM-YPMHNXCESA-N 309.435 1.478 0 40 DDAB C[C@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)s1 89905030 YWDAGAIBFGJKFT-DJLDLDEBSA-N 316.810 1.654 0 40 DDAB CCCCn1nnnc1CN1CCc2cnc(CC)nc2C1 71880318 AVAMEXBIUVVQEQ-UHFFFAOYSA-N 301.398 1.384 0 40 DDAB CN1CCN(C(=O)[C@@H]2CCCN2c2nc3ccccc3o2)CC1 71826809 FSKSYVHGQZPYDD-AWEZNQCLSA-N 314.389 1.571 0 40 DDAB Cc1cc(C)n(-c2cncc(N[C@H]3CCc4nc(C)nn4C3)n2)n1 71874914 KAYXETRFFGVEFA-ZDUSSCGKSA-N 324.392 1.606 0 40 DDAB CC(C)c1ccc(OCC(=O)NCCc2nncn2C)cc1 71847023 HCKSTKAVEHLNNU-UHFFFAOYSA-N 302.378 1.676 0 40 DDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN2CCCC[C@H]2C1 71839953 RWCMPGRDJJBCIM-AWEZNQCLSA-N 311.385 1.838 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)c3sccc3C3CC3)CC2)N1 71835213 FEGLSNFPQNRRNO-UHFFFAOYSA-N 319.386 1.440 0 40 DDAB OCCN1CCC(CNCc2cc(F)c(F)c(F)c2)CC1 71877266 IBWSHVYEVZZMBQ-UHFFFAOYSA-N 302.340 1.898 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 71871210 YVYVPOARJFRGCE-UONOGXRCSA-N 316.405 1.122 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 84367625 NWMWOUHSGUTESY-QWHCGFSZSA-N 318.764 1.764 0 40 DDAB NC(=O)NCCCOC(=O)c1cc(F)cc(Br)c1 76090801 XLJQEMVXQUHRGQ-UHFFFAOYSA-N 319.130 1.803 0 40 DDAB O=C1OCC[C@H]1N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76059647 ZANVDONXNAAVKL-PSASIEDQSA-N 303.284 1.923 0 40 DDAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 97654456 BHWHXPNPMDNXHU-CYBMUJFWSA-N 318.373 1.347 0 40 DDAB COCCN(Cc1ccc(F)cc1Cl)Cc1nnnn1C 95393150 HYFUATMGQSIMAO-UHFFFAOYSA-N 313.764 1.651 0 40 DDAB Cc1cc2ccccc2n1CC(=O)N1CCN(CCO)CC1 78762552 NELJTBAYCUKXBB-UHFFFAOYSA-N 301.390 1.086 0 40 DDAB CC(C)N1C(=O)C[C@H](Nc2ncc(Br)cn2)C1=O 95407037 XJXISSGSWDWHOP-QMMMGPOBSA-N 313.155 1.187 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3cccc(Cl)c3)C2=O)cn1 98010412 JHBIQUJTLLXWHK-ZDUSSCGKSA-N 318.764 1.609 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)n1 78889086 BNLASEBHXLRSAZ-NWDGAFQWSA-N 308.382 1.397 0 40 DDAB O=C(NCCc1ncno1)Nc1nc(-c2cccnc2)cs1 79058388 HOBODXBQOXMJRT-UHFFFAOYSA-N 316.346 1.952 0 40 DDAB COc1cc(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)ccn1 79105780 MNDLJGDYIHRITI-HOCLYGCPSA-N 313.357 1.548 0 40 DDAB O=C(NC1CC1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 79255970 BRYOASNUYCWFDY-MRXNPFEDSA-N 314.385 1.507 0 40 DDAB COC[C@@H]1CCCN1C(=O)Cn1cc(-c2ccccc2)nn1 89409937 OQOVURFRKKDBEP-AWEZNQCLSA-N 300.362 1.583 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(N)=O 75137266 SIKNJHTUXSBHCN-KCJUWKMLSA-N 321.406 1.173 0 40 DDAB C[C@@]1(C(=O)NCCNC(=O)c2ccccc2Cl)CCCO1 75110801 OFAMBVVDXMACCY-HNNXBMFYSA-N 310.781 1.755 0 40 DDAB CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408709944 ZTDYUBGUPBXIEQ-SNVBAGLBSA-N 303.362 1.432 0 40 DDAB CC[C@@H]1CC[C@@H](C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)O1 548660496 IKMNHCXFZLVXON-RDBSUJKOSA-N 323.393 1.920 0 40 DDAB COc1cc2c(cc1/C=C1/C(=O)N(C)C(=S)N1C)OCO2 409030028 BRBVFEBYNIWYDX-WTKPLQERSA-N 306.343 1.454 0 40 DDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71979963 DROSFFHFTVNPLT-CYBMUJFWSA-N 322.336 1.173 0 40 DDAB CC(C)(C)n1cc(CNC2CCN(S(C)(=O)=O)CC2)cn1 37270424 NPBKFAKUGZNLTO-UHFFFAOYSA-N 314.455 1.152 0 40 DDAB CS(=O)(=O)Cc1cccc(C(=O)OC[C@@H]2CCCCO2)c1 61045864 LVJBCIGMCXKFOI-AWEZNQCLSA-N 312.387 1.957 0 40 DDAB COc1cncnc1NC(=O)c1cccc(C(=O)NC2CC2)c1 567120509 FFHFRXPQFMIPOB-UHFFFAOYSA-N 312.329 1.630 0 40 DDAB CC(C)[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)O 35051048 LWFWZRANSFAJDR-OCCSQVGLSA-N 303.362 1.263 0 40 DDAB endogenous,in-man O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32795547 SQGZNFNMKCOZFT-VIFPVBQESA-N 323.805 1.912 0 40 DDAB CN(CC1CC1)C(=O)Cn1nnc2ccc(Cl)cc2c1=O 564968028 VYHXGFWWKLWTOT-UHFFFAOYSA-N 306.753 1.313 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C1CN(S(C)(=O)=O)C1 70817587 GWBOCBCWOQMEIA-UHFFFAOYSA-N 302.783 1.478 0 40 DDAB C[S@@](=O)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 132384553 VHFNFHABKGWHFA-SAHAZLINSA-N 319.390 1.152 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225737290 RSBNAVOGCNDJRL-UHFFFAOYSA-N 320.395 1.759 0 40 DDAB CC(C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225868369 TXOJNMBKKKKGIL-UHFFFAOYSA-N 302.371 1.112 0 40 DDAB CN(C)C(=O)CNC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 222281011 ITNYXGQVJUWNGD-UHFFFAOYSA-N 303.362 1.124 0 40 DDAB Cc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2 194090371 NKOTXXAAGBSXLJ-ZDUSSCGKSA-N 324.446 1.468 0 40 DDAB Cc1nnc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)s1 44450484 SPSMXPFLXMCFMR-ZETCQYMHSA-N 316.346 1.151 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 138909960 CQGQSLDQXDUVQF-GHMZBOCLSA-N 300.380 1.475 0 40 DDAB C[C@H]1C[C@@H]1NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 195539303 MISBPLBNETWOBD-LLLHUVSDSA-N 315.417 1.690 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1F 75157295 ZLZPFNMPSOYDDD-LLVKDONJSA-N 311.375 1.357 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccco1 96423115 YTOFNOCBUHYZSL-CYBMUJFWSA-N 314.341 1.689 0 40 DDAB COc1ccc2cccc(CC(=O)NCC[S@@](C)=O)c2c1 95435964 TVQWXAFYLJGDNH-NRFANRHFSA-N 305.399 1.886 0 40 DDAB O=S1(=O)CCCN(c2ccnc(-c3ccccc3)n2)CC1 96413741 PSBHJVZIFDMSPJ-UHFFFAOYSA-N 303.387 1.769 0 40 DDAB O=C(CC1CC1)N1C[C@H]2CCN(c3cncnc3)C(=O)[C@H]2C1 96082105 HWLCXMZNNSKTKC-OCCSQVGLSA-N 300.362 1.088 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN[C@H]2CCO[C@@H]2C)s1 90582503 CXZOONVMFSPKLY-MNOVXSKESA-N 304.437 1.102 0 40 DDAB O=C(c1ccno1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365401 RSRRFNKMENJJSJ-LBPRGKRZSA-N 306.343 1.363 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 96072939 VSMNBXKPHKSAHQ-DOTOQJQBSA-N 311.389 1.717 0 40 DDAB CS(=O)(=O)N1CCC[C@@]2(COCCN(c3ccccc3)C2)C1 96228968 GCPUCCCIINVXPT-INIZCTEOSA-N 324.446 1.565 0 40 DDAB O=C1[C@H]2CN(C3CCOCC3)C[C@H]2CN1Cc1cccc(F)c1 96245315 FFSPYTRNFDJNHV-YOEHRIQHSA-N 318.392 1.895 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(C3CCC3)C[C@@H]12 97953314 CTFIBYFAGRNTEC-DAXOMENPSA-N 301.390 1.767 0 40 DDAB CCOCCN1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccc(C)nn2)C1 96040708 FDUPWAPBICRKNY-UXLLHSPISA-N 320.437 1.713 0 40 DDAB COC[C@H]1CN(Cc2cccnc2)Cc2nnn(CC3CC3)c21 96060895 VSPWHUWPWJYVRI-OAHLLOKOSA-N 313.405 1.829 0 40 DDAB Cc1ncsc1CN1Cc2ccnn2[C@@H](C(=O)N(C)C)C1 247971142 HRADNFGDGPILQJ-GFCCVEGCSA-N 305.407 1.293 0 40 DDAB CC(=O)N1CC2(CCN(c3ncccn3)CC2)C[C@@H](O)C1(C)C 257343434 ZTAJNGNYVPOIDZ-CQSZACIVSA-N 318.421 1.455 0 40 DDAB COc1ncccc1C(=O)N[C@@H](Cn1nccn1)c1ccccc1 253406024 UCMMDVGQXMWBJN-HNNXBMFYSA-N 323.356 1.853 0 40 DDAB CCOC(=O)Nn1nnc2cc(Br)ccc2c1=O 255190082 UWSFVEQRBPCBNG-UHFFFAOYSA-N 313.111 1.254 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 41131461 DFVBMAFKEYZAGB-SECBINFHSA-N 301.173 1.870 0 40 DDAB Cc1nccc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257235743 GZEUUORGIAKFAV-HNNXBMFYSA-N 324.450 1.346 0 40 DDAB CO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[C@@]12CCCO2 257256922 KNKGRPAXUPUPDB-RDJZCZTQSA-N 324.421 1.041 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cscn2)CCO1 257291554 QHNBIDXWVNOHTB-JTQLQIEISA-N 305.363 1.189 0 40 DDAB Cc1ccc(C(=O)N2CCOC[C@@H](Cc3ccncn3)C2)cn1 257293621 QQKBAGJUQMEMHO-AWEZNQCLSA-N 312.373 1.511 0 40 DDAB CN1CC[C@@]1(CCCc1cccc(Br)n1)C(N)=O 257197552 CNFBNFOVZHEUDM-ZDUSSCGKSA-N 312.211 1.726 0 40 DDAB O=C(c1cn[nH]c1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575414533 AOJVLZCLNJSCSA-AWEZNQCLSA-N 319.386 1.412 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1 585278616 UQVVSLBUIXHONY-AWEZNQCLSA-N 317.382 1.380 0 40 DDAB COCCC(=O)N1CCC2(CC1)CN(C)C[C@H]2COCC1CC1 585102890 GXOPVFJWESJNCO-INIZCTEOSA-N 324.465 1.620 0 40 DDAB CCCn1ccnc1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO 585293497 YFYQOCSXQHUAJG-JFIYKMOQSA-N 315.417 1.614 0 40 DDAB COCCCNC(=O)CN(C)Cc1cc(Cl)ccc1OC 50510468 UPQBZGWFRCQBQC-UHFFFAOYSA-N 314.813 1.933 0 40 DDAB Cc1nnc([C@@H](C)N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)o1 65530160 JXIXNSCTNDQXDV-SECBINFHSA-N 323.784 1.879 0 40 DDAB O=C1OCCN1CCCN1C(=O)NC2(CCCCCCC2)C1=O 63560058 KQWGISFRJSQGNF-UHFFFAOYSA-N 323.393 1.864 0 40 DDAB O=C(C1CC1)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 573780838 KSCWODDZFCDJPL-UHFFFAOYSA-N 312.377 1.220 0 40 DDAB CCn1c2cc(C)sc2c2cnn(CC(=O)N(C)C)c(=O)c21 12156915 ISQRXFCZNCTZKC-UHFFFAOYSA-N 318.402 1.829 0 40 DDAB C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 13068779 LUBCPXRSOYUHNR-NSHDSACASA-N 304.371 1.825 0 40 DDAB Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2C(C)C)on1 13226110 AQDGNSIDLMDPIB-UHFFFAOYSA-N 318.377 1.855 0 40 DDAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 15330614 OQGYCRIOVZMGGI-NXEZZACHSA-N 317.794 1.411 0 40 DDAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)CC1 15674733 XUOHFQGMFLCWMV-KGLIPLIRSA-N 322.409 1.312 0 40 DDAB biogenic,in-vitro CCOC(=O)/C=C1\CCCn2c1ncc(C(=O)OCC)c2=O 1590340 BAESFPJDLRNSHO-CSKARUKUSA-N 306.318 1.160 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 10213633 ZQFLFOCYOQHDGB-AWEZNQCLSA-N 315.373 1.834 0 40 DDAB C[C@@H]1C[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 32387931 JGABLNNGHLAHLJ-YPMHNXCESA-N 308.403 1.612 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)n1 1065950396 LJUUGUHCKSRFFN-GASCZTMLSA-N 316.405 1.106 0 40 DDAB CCc1cnc(OC2CCN(C(=O)[C@@H]3CCCCO3)CC2)nc1 1776008508 IYBFUXIEZBLYLX-HNNXBMFYSA-N 319.405 1.978 0 40 DDAB O=C(NCCOc1cc(N2CCCCC2)ncn1)[C@@H]1CCCO1 38908568 BTCDYOGKLFEJFS-ZDUSSCGKSA-N 320.393 1.141 0 40 DDAB CN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@@H]1CCC[C@@H](O)[C@@H]1O 2037792050 HXGMCIUHPXFWGJ-RBSFLKMASA-N 306.337 1.653 0 40 DDAB Cc1nnc2c(N3CC(Cn4ccnc4C(C)C)C3)nccn12 2087139485 XERRMGIVQHSYML-UHFFFAOYSA-N 311.393 1.889 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)CC1(O)CCC1)CC2 1565544841 STNFASKQZIZTHR-UHFFFAOYSA-N 323.481 1.310 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@H]2C1 1565546036 UPFGPVQWTQLFRV-WCQYABFASA-N 309.797 1.528 0 40 DDAB O=C(CSc1ccc(-c2ccco2)nn1)N1CCOCC1 4357849 GACPTJMJEJMRQE-UHFFFAOYSA-N 305.359 1.688 0 40 DDAB Cc1cccn2c(=O)nc(SCC(=O)N3CCCC3)nc12 4503990 JEBUECRCQBASST-UHFFFAOYSA-N 304.375 1.112 0 40 DDAB CSCC[C@@H](O)CNC(=O)C1(c2ccccc2)CCOCC1 1775967519 VBWUPTRKBPTCPM-OAHLLOKOSA-N 323.458 1.965 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN(c3cnsn3)C2)n1 585602923 RJROPWXGMQIBMX-UHFFFAOYSA-N 305.407 1.529 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N1CC(Nc2ccncn2)C1 585148948 MTEJCXPYEWYWEG-UHFFFAOYSA-N 302.765 1.995 0 40 DDAB Cc1nnc(CN2CCC[C@@H](COc3nccs3)C2)n1C 2298180913 CZCGFDMCEQAVRY-GFCCVEGCSA-N 307.423 1.871 0 40 DDAB Cc1cc(-c2noc(CNC(=O)/C=C\c3cccnc3)n2)no1 225812567 MAVSMCLKARWLCF-PLNGDYQASA-N 311.301 1.758 0 40 DDAB CCc1nc(C)c(C(=O)NCCNC(=O)c2ccco2)s1 50310401 IQYQOZATMZTSPL-UHFFFAOYSA-N 307.375 1.767 0 40 DDAB CC(C)n1ccc(C(=O)N2CCN(C3CCOCC3)CC2)n1 81033791 HOHSXXWBVHLNOQ-UHFFFAOYSA-N 306.410 1.401 0 40 DDAB CCOCCNC(=O)N1CCc2cc(OC)c(OC)cc2C1 45642255 LFNHYGPYQFVIIE-UHFFFAOYSA-N 308.378 1.808 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)COc1ccccc1NC(C)=O 7895618 VJTVKYMPUSSTOT-LLVKDONJSA-N 321.377 1.055 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 40553889 IJMSNXHXCWEZRV-LSDHHAIUSA-N 300.362 1.601 0 40 DDAB COc1ncccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40541672 KMEZXPDYZVARGD-MRVPVSSYSA-N 317.267 1.440 0 40 DDAB CCCCSCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31717881 YDVQTIUAEKOWQQ-UHFFFAOYSA-N 322.434 1.490 0 40 DDAB C[C@H](NC[C@@H]1CCCN(c2ncccn2)C1)c1cnn(C)c1 90973049 QQVSPBWGVITJEP-KBPBESRZSA-N 300.410 1.777 0 40 DDAB Cc1sc(C(N)=O)cc1S(=O)(=O)NCc1ccccc1 6679928 RUKAVHAHZAFYDL-UHFFFAOYSA-N 310.400 1.634 0 40 DDAB CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1F 101783252 WFMJUECRBQWWFG-LERXQTSPSA-N 305.353 1.738 0 40 DDAB CC[C@@H](C(=O)NCCC1=NC(=O)[C@H](C)C(=O)N1)c1ccccc1 101825126 NUJVESPGPKOVLS-CYBMUJFWSA-N 315.373 1.378 0 40 DDAB CC(C)(C)c1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)no1 71920347 AZJDVXFYXIXSOR-SNVBAGLBSA-N 320.393 1.264 0 40 DDAB CCOC(=O)c1ccc(OC[C@H](O)CNCCCOC)cc1 9375939 MDPLTUDMDSNAPA-CQSZACIVSA-N 311.378 1.229 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102599043 CLGZTQDXVYJPLL-UXOAXIEHSA-N 320.389 1.541 0 40 DDAB CS(=O)(=O)CCN1CCC(Nc2cccc(F)n2)CC1 68766630 QZKACNJQWZQNEL-UHFFFAOYSA-N 301.387 1.142 0 40 DDAB O=C(CCCNC(=O)C1CC1)N[C@H]1CCN(CC2CCCC2)C1 81293753 BQLLNWFHSJDQNG-INIZCTEOSA-N 321.465 1.674 0 40 DDAB Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(C)C[C@@H]2C)c1 89677732 IQMCAZNUOLWRKX-JKSUJKDBSA-N 319.449 1.514 0 40 DDAB COC(=O)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(C)C 539433 WOCFRNGCIJCQPW-HNNXBMFYSA-N 319.405 1.716 0 40 DDAB CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 2887038 PSJNFAYVAYWSCL-WXJAXGNASA-N 313.806 1.999 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2n1 41819397 HQLQHQKJSNUQFX-ZDUSSCGKSA-N 319.386 1.597 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@]3(CN(C/C=C/c4ccccc4)C(=O)[C@H]13)O2 101245294 NNUJCNWGCDEOES-NGDWSTHRSA-N 311.337 1.566 0 40 DDAB O=C(NC1CCCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 42115494 QDJOJBZGWNXJLV-UHFFFAOYSA-N 317.389 1.802 0 40 DDAB CNC(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccccc1 23174850 QMWSXPZJBLDNCL-UHFFFAOYSA-N 310.353 1.736 0 40 DDAB O=C(NCc1ccc(Cn2cncn2)cc1)NC[C@H]1CCCO1 47594369 JCHNZDUYWKVXRI-OAHLLOKOSA-N 315.377 1.305 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1ccsc1C(=O)O 1396628 DHBBYYHDVMMOPB-UHFFFAOYSA-N 304.327 1.815 0 40 DDAB CCc1ncncc1C(=O)NCCN1CCc2sccc2C1 56166548 VXTMCLLQWUWVHS-UHFFFAOYSA-N 316.430 1.889 0 40 DDAB COC(=O)CCCNC(=O)CN(C)Cc1cccc(Cl)c1 58064347 XLXJJGBWPKPGNC-UHFFFAOYSA-N 312.797 1.841 0 40 DDAB CCc1noc(CN2CCN(C(=O)c3cccc(F)c3)CC2)n1 27464984 LTGWBOMYMGSJFJ-UHFFFAOYSA-N 318.352 1.729 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)c1ccccc1OCC(N)=O 44913088 KONHEEBMFMVKDL-LLVKDONJSA-N 302.330 1.505 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)s1 36390445 NDUTVOKVANJISY-WDEREUQCSA-N 308.403 1.891 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2ccnc2)c1 10809702 ZFJHAFNIFALEJN-UHFFFAOYSA-N 313.766 1.579 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(N(C)C)c1 48234888 KRYLMKQZAFBGOU-NSHDSACASA-N 316.361 1.175 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)c1cccc(Cl)c1 48300922 PTGMEMYUVMXHFF-FZMZJTMJSA-N 322.796 1.958 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 3563807 RKDIAFFGWXSKHU-BZNIZROVSA-N 309.410 1.792 0 40 DDAB CCCCN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 13018152 JRXWVTZEGFHMSD-CQSZACIVSA-N 302.378 1.365 0 40 DDAB Cc1nc(C(C)(C)NC(=O)CN(C)C(=O)OC(C)(C)C)no1 69452279 IWJHBFRKFBGQEC-UHFFFAOYSA-N 312.370 1.596 0 40 DDAB CCC(CC)CN(CC(=O)OC)C(=O)c1cn2cccnc2n1 63703772 CGSUZWDCIXQREK-UHFFFAOYSA-N 318.377 1.781 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2n1 89700365 SNZVNMPETXSPNO-CQSZACIVSA-N 314.389 1.312 0 40 DDAB COCCN(CC(N)=O)Cc1cc(F)ccc1Br 69569588 RGGFDWGUEWNXNO-UHFFFAOYSA-N 319.174 1.522 0 40 DDAB CC[C@@H](C)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 14136140 GDLSKFPXAXDWSH-LLVKDONJSA-N 301.346 1.689 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1 4718021 CRWMQIPNGJYHCS-GFCCVEGCSA-N 301.390 1.162 0 40 DDAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(SC)n[nH]1 4776208 UUSHPSLVBFCFIZ-SNVBAGLBSA-N 322.346 1.825 0 40 DDAB Cc1noc(C)c1COC(=O)Cn1c(=O)oc2ccccc21 4884055 ZAUADZQZBBISIX-UHFFFAOYSA-N 302.286 1.943 0 40 DDAB CC1(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)COC1 66522648 RRQHFRGVWWHBDP-UHFFFAOYSA-N 320.313 1.876 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O 5878453 GTADGYTVLWHMHM-UHFFFAOYSA-N 316.357 1.978 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ncn[nH]2)c1C 6931033 JCFHQSJCKZPYRI-UHFFFAOYSA-N 308.363 1.901 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 69845080 XTKZJBKOYIYIFZ-CHWSQXEVSA-N 302.382 1.462 0 40 DDAB CCNC(=O)[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 8724588 UAOZCCHYXWDSEA-NWDGAFQWSA-N 307.394 1.527 0 40 DDAB CCn1nccc1CN(C)C(=O)c1cc(C(F)(F)F)nn1C 28234358 XSICUMKGJMCYFW-UHFFFAOYSA-N 315.299 1.928 0 40 DDAB NS(=O)(=O)c1ccc(N2CCC[C@H](O)C2)c(C(F)(F)F)c1 71893802 OBRBHDKFOAXWGA-QMMMGPOBSA-N 324.324 1.314 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCc3ccc(F)cc32)c1C 71882969 VKKSMYXVWZEYFX-AWEZNQCLSA-N 315.348 1.954 0 40 DDAB Cc1ccc(O)c(CN[C@H]2CCc3nc(C(C)C)nn3C2)n1 71877284 HSNUNJUJRKTCLR-LBPRGKRZSA-N 301.394 1.915 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](N2CCNC2=O)C1 71830387 NZTLHXNARZFOPA-LBPRGKRZSA-N 320.393 1.736 0 40 DDAB COc1c([C@@H]2CCCN2CC(=O)NCC2CC2)c(C)nn1C 72253735 DYEWVJAQEPGQIN-ZDUSSCGKSA-N 306.410 1.400 0 40 DDAB O=C(CC(F)(F)F)NCc1ccccc1CN1CC[C@@H](O)C1 97081777 VYLZGZDVYWVIHH-CYBMUJFWSA-N 316.323 1.822 0 40 DDAB CC(C)n1nnnc1-c1ccccc1NC(=O)[C@@H]1CCOC1 97107009 SGZTVYUFCJPZAL-LLVKDONJSA-N 301.350 1.896 0 40 DDAB COC(=O)c1ccc(Cl)c(Cn2nc3cnccn3c2=O)c1 97137258 SNBXXPJVZNLDSS-UHFFFAOYSA-N 318.720 1.379 0 40 DDAB CSc1cncc(N2CCN(C[C@@H]3CCCCN3C)CC2)n1 97162948 XZWJYSJOVMYVCG-AWEZNQCLSA-N 321.494 1.805 0 40 DDAB Cc1c(F)cccc1S(=O)(=O)NCc1nnc(C)n1C1CC1 97102334 OFQCYISZVQMPRX-UHFFFAOYSA-N 324.381 1.847 0 40 DDAB COCCOc1ncccc1C(=O)N1C[C@H](C)[C@@H](N(C)C)C1 76051637 SNKNQCSTULRFEL-JSGCOSHPSA-N 307.394 1.129 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2noc(C)n2)cs1 76043584 ZSYHJJBYPWNNKI-JTQLQIEISA-N 321.362 1.770 0 40 DDAB COc1cc(CNC(=O)Cn2ccccc2=O)c2ccccc2n1 76041897 UQROLXPPEMULSI-UHFFFAOYSA-N 323.352 1.722 0 40 DDAB O=C1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2)N1 95396726 NRMOQGNLVJWWQP-RRFJBIMHSA-N 302.374 1.771 0 40 DDAB CCC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCOCC1 95394364 NAGVRRGGLNOXSS-NEPJUHHUSA-N 300.424 1.183 0 40 DDAB COC(=O)c1cc(CNC(=O)[C@H]2Cc3ccccc3O2)oc1C 76147789 YMHJHANETFIUGN-OAHLLOKOSA-N 315.325 1.995 0 40 DDAB Cc1cc(C(=O)N2CCCC2(C)C)cc(S(N)(=O)=O)c1C 87900334 GAAZQFZBOOLKMU-UHFFFAOYSA-N 310.419 1.965 0 40 DDAB Cc1ccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)cc1F 95420782 SUFBINOPKAVXDV-GFCCVEGCSA-N 314.382 1.511 0 40 DDAB CC1(C)CN(C(=O)c2c[nH]c3ccccc23)CCS1(=O)=O 95410823 WFPQXTWDFOQRMU-UHFFFAOYSA-N 306.387 1.817 0 40 DDAB CCC(CC)n1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)n1 95971834 LSDCLYIDCAIMDM-AWEZNQCLSA-N 313.423 1.551 0 40 DDAB Cn1cc(C(=O)N2CCN(Cc3cccs3)CC2)ccc1=O 95949438 HAWQQBHZPDJZRD-UHFFFAOYSA-N 317.414 1.405 0 40 DDAB CCc1cc(=O)[nH]c(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)n1 89282842 RBICUXUHHOZYOF-OAHLLOKOSA-N 318.352 1.130 0 40 DDAB CN(CC(=O)N1C[C@H]2CCC[C@@H]2C1)c1ncnc2[nH]cnc12 89335378 VIWUUQYIIQHRQC-GHMZBOCLSA-N 300.366 1.048 0 40 DDAB COC(=O)CCNC(=O)c1cc(C(C)C)nc2onc(C)c12 79483232 ORNDUGQBWITKCT-UHFFFAOYSA-N 305.334 1.948 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H](CN(C)c2cccnn2)C1 89529363 ZYFKPRYNLIIOCP-CQSZACIVSA-N 317.393 1.419 0 40 DDAB O=C1CCC(=O)N1c1cccc(S(=O)(=O)N2CCCCC2)c1 408722398 TTYBPAQZWDHDCX-UHFFFAOYSA-N 322.386 1.515 0 40 DDAB O=C(O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 32918613 RFMPJQCECGECGF-UHFFFAOYSA-N 317.320 1.673 0 40 DDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)C(=O)C[C@H](O)[C@@H]12 123375654 GHXUJRWLHYZTGE-FTEYUELOSA-N 322.445 1.901 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 30921446 HRPDBLQOQLMMBF-BETUJISGSA-N 312.435 1.691 0 40 DDAB C[C@@H](Cn1cc(Br)cn1)C(=O)N1CCOCC1 32611381 USWWJSSLVVCIIF-VIFPVBQESA-N 302.172 1.141 0 40 DDAB CCOc1ccc([C@@H]2CC(=O)N=C3NC=NN32)cc1OCC 38187550 VVSNJJWUAOZCNA-NSHDSACASA-N 302.334 1.660 0 40 DDAB CCN1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1 73743341 PNBLCDZJFYCPLG-UHFFFAOYSA-N 312.435 1.638 0 40 DDAB O=C(NCCn1cnc2cnccc2c1=O)c1ccc(F)cc1 32578154 OXERRYBEQZQMTP-UHFFFAOYSA-N 312.304 1.361 0 40 DDAB Cc1cc(-c2ccccc2F)nc(C2CN(S(C)(=O)=O)C2)n1 72360752 OOCBTHKLKZLRAD-UHFFFAOYSA-N 321.377 1.950 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218443170 AHYIIUOXWGVNDO-OWCLPIDISA-N 311.447 1.877 0 40 DDAB O=c1[nH]c(=O)c2cc(Br)c(Br)cc2[nH]1 138796262 FFCJXNPHJNFXTN-UHFFFAOYSA-N 319.940 1.741 0 40 DDAB COC(=O)c1ccc(N2CCOCC2=O)c(C(F)(F)F)c1 228957645 YSAORQICWOWTGG-UHFFFAOYSA-N 303.236 1.855 0 40 DDAB CCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225949667 FLGMNSZMHGTFSL-NSHDSACASA-N 304.799 1.457 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 195530382 WKZBOISOMNVTJA-HZPDHXFCSA-N 311.470 1.070 0 40 DDAB CC[C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944801 XXPAAXTVAPPOIV-MFKMUULPSA-N 316.398 1.721 0 40 DDAB CCN1CCC[C@@](O)(CN2CCN(Cc3ccncc3)CC2)C1 41124081 OKPRGRXPZNXPPI-SFHVURJKSA-N 318.465 1.046 0 40 DDAB COCC(C)(C)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1 425259259 SPKYPTHHAKRSOX-UHFFFAOYSA-N 320.389 1.568 0 40 DDAB CS(=O)(=O)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 96098248 PKPRRGQUQKOEBW-UHFFFAOYSA-N 300.355 1.867 0 40 DDAB Cc1ccn(CC(=O)N(C)CCOc2ccccc2F)c(=O)c1 96428893 OIFZWPWVCHCIID-UHFFFAOYSA-N 318.348 1.833 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccnc2)C1 96226916 IMHWYQHAJNIREM-BBRMVZONSA-N 302.378 1.850 0 40 DDAB CCN(C)[C@@H]1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1 96220803 WESAIJLXZYMZHS-AWEZNQCLSA-N 318.421 1.500 0 40 DDAB CCOCC(=O)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 96110382 PPFRRMSUUCOZMH-WBVHZDCISA-N 320.389 1.505 0 40 DDAB COc1cncc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)n1 96406668 OIIUEZVNUORLLA-JTQLQIEISA-N 304.354 1.060 0 40 DDAB COc1ccc([C@@H]2OC[C@H]3OC=C[C@@H](OC(C)=O)[C@@H]3O2)cc1 98072770 MFCOFWGQDDMFBW-LVQVYYBASA-N 306.314 1.953 0 40 DDAB c1cnc(N2CCOC[C@@]3(CCCN(CC4CC4)C3)C2)cn1 96049652 PDKQHAJVIDOJNE-QGZVFWFLSA-N 302.422 1.805 0 40 DDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c1 96425917 HIJAEZJLMUJUOG-CQSZACIVSA-N 316.401 1.890 0 40 DDAB Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccco1)CC2 96187470 ZEIWZXWJWOVHBO-UHFFFAOYSA-N 314.389 1.807 0 40 DDAB CN(C)C(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 96043164 XCZKBXXYVNWXFG-BBWFWOEESA-N 302.418 1.797 0 40 DDAB C[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)c1cccs1 96447817 RVBMBZSVXXMOJE-VIFPVBQESA-N 313.404 1.226 0 40 DDAB OC[C@H]1CN(c2ncccc2OCc2ccccc2)CCO1 97137383 NMKDUGCSZWPCMS-OAHLLOKOSA-N 300.358 1.858 0 40 DDAB Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)NC4CC4)O[C@@H]3C2)o1 96207640 JOKSPRGUGWEBAA-VBNZEHGJSA-N 304.390 1.846 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)C2)CCO1 96428478 MDTQWYZRMJTBBC-CYBMUJFWSA-N 302.440 1.608 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)cn1 96184544 DSHQQAAMLDSKDA-CVEARBPZSA-N 311.389 1.304 0 40 DDAB Cc1nc([C@H]2CN(CCOc3ccccc3F)CCO2)no1 95958075 CCCROSIKHPPXIV-CQSZACIVSA-N 307.325 1.969 0 40 DDAB c1ccc(OCCN2CCOCC2)c(CN[C@H]2CCSC2)c1 96476744 SIGQJAIJGVMDIY-INIZCTEOSA-N 322.474 1.993 0 40 DDAB CCN(C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 96428767 MOQNTXFFKGRGMZ-KBPBESRZSA-N 303.472 1.237 0 40 DDAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1ccsc1)C2 248010508 PIAKSYHCYICQHM-CQSZACIVSA-N 324.446 1.586 0 40 DDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc3ccccc3c(O)c12 255190222 VSSLBMFNVAXCCP-JTQLQIEISA-N 317.370 1.958 0 40 DDAB COCCOc1ccc(C(=O)N2CC[C@H](n3nccn3)C2)cc1 253471912 GOVZJGMIAKWZGW-AWEZNQCLSA-N 316.361 1.391 0 40 DDAB O=C(CCn1ccnc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257333779 YCZYXEJJXYVSCP-GFCCVEGCSA-N 301.350 1.175 0 40 DDAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1cccn1C 253472645 OBMHXDWBHHSEMG-UHFFFAOYSA-N 316.386 1.535 0 40 DDAB CN(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1O 257256921 KNKFEZKGALQTNQ-HZPDHXFCSA-N 303.406 1.034 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 257217706 DAGRYKUUZHNVOF-GFCCVEGCSA-N 300.428 1.484 0 40 DDAB Cc1cccnc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257308914 TYSGGHJYJBWVCC-IIAWOOMASA-N 303.406 1.450 0 40 DDAB Cc1ccn(C)c(=O)c1NS(=O)(=O)CCCC(F)(F)F 252487629 HYKZKCAUAFSYIT-UHFFFAOYSA-N 312.313 1.778 0 40 DDAB COCCCOC1CN(C(=O)[C@]2(O)CCc3ccccc3C2)C1 252501922 ULLJPUJPRWPJIR-SFHVURJKSA-N 319.401 1.170 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2cscn2)c1 257238339 HKNAKLGRHDGOMM-OAHLLOKOSA-N 316.430 1.649 0 40 DDAB C[C@@H](NC(=O)NCC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 41198793 LOOBFFNYFTZWNN-SSDOTTSWSA-N 317.267 1.940 0 40 DDAB COc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)C)C3)CC2)cc1 257291712 QIHLMRNNWASHHG-QGZVFWFLSA-N 318.417 1.252 0 40 DDAB Cc1nc[nH]c1CN1CCC[C@H]1c1cncc(CN(C)C)n1 257341602 ZLAOTFAMGZRSGX-INIZCTEOSA-N 300.410 1.907 0 40 DDAB COc1ncccc1C(=O)Cn1cccc(Br)c1=O 252489700 JXFYVABECBOLTR-UHFFFAOYSA-N 323.146 1.897 0 40 DDAB O=C(CN1CCOC[C@@H]1CCc1cnccn1)N1CCCCC1 257296873 RESWUVPZBDMJKJ-INIZCTEOSA-N 318.421 1.123 0 40 DDAB CN(c1ccncn1)C1CC2(CCN(C(=O)c3cnccn3)C2)C1 257215901 CSCYHSFHGVNSHO-UHFFFAOYSA-N 324.388 1.398 0 40 DDAB COc1ccc(OC)c2c1CN(c1cc(C)nc(N)n1)C[C@@H]2O 43533521 XIBVFGDTKFWZNT-NSHDSACASA-N 316.361 1.438 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1csc(COC)n1 65049393 RQIFOSCLSYDSGM-UHFFFAOYSA-N 313.423 1.666 0 40 DDAB O=C(CSc1ccc(F)cc1)N[C@@H]1CC(=O)N(C2CC2)C1 75161418 LEGOZKAGTWSEGR-LLVKDONJSA-N 308.378 1.797 0 40 DDAB Cn1cnc2cc(CNC(=O)N[C@H]3CC34CCOCC4)ccc21 1548453692 DSSAYRZDQBGJPU-HNNXBMFYSA-N 314.389 1.942 0 40 DDAB CN1C[C@@H](C(=O)NCc2ncccn2)[C@@H]2COc3ccccc3[C@@H]21 1772595969 WKJUWQLTECHKQX-KEYYUXOJSA-N 324.384 1.404 0 40 DDAB CCOC(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 12115317 LZEWARWFGDOLCS-UHFFFAOYSA-N 305.359 1.891 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2ccncc2)oc1=O 12115882 QPPNEKZJARLMOD-VXGBXAGGSA-N 316.361 1.688 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(C)c3ncccc32)C1 12221969 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O=C(NC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1)C1(F)CCC1 1614931162 CFHIUDAUMNKPID-LLVKDONJSA-N 320.324 1.445 0 40 DDAB Cn1c(-c2cccnc2)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 973884 ZDLZDVQVPSPYEQ-UFGOTCBOSA-N 318.358 1.268 0 40 DDAB COC(=O)c1c(O)nc(-c2ccccc2)nc1S(C)(=O)=O 13111412 LJBFDDHUPCXESI-UHFFFAOYSA-N 308.315 1.039 0 40 DDAB CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ccnc(C)n2)CC1 585147012 OBRBRJNDQALDSQ-UHFFFAOYSA-N 321.377 1.497 0 40 DDAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccno1 675007670 GLJRDXGFPCCRPW-KRWDZBQOSA-N 316.357 1.719 0 40 DDAB CCOC(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1c(OC)cccc12 100029510 ZZEJARMIQWCWFO-ZETOZRRWSA-N 322.386 1.502 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1 40215014 TVBQWIKFCXHWMD-UHFFFAOYSA-N 314.750 1.510 0 40 DDAB CN(Cc1ccccc1Br)C[C@@](C)(O)C(=O)O 80210320 LXGWXCAEGWSGFN-GFCCVEGCSA-N 302.168 1.717 0 40 DDAB Cn1c(COc2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O 11150751 WZYKJXHPXBUYQY-UHFFFAOYSA-N 314.263 1.682 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cc2c(F)cccc2s1 7250559 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FSIUBFYCDRISHM-SNVBAGLBSA-N 318.826 1.875 0 40 DDAB COc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)NC(N)=O 6951635 WINBSSXMUPFOGG-WQLSENKSSA-N 314.345 1.397 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)ccc1C 6953118 FUCYUBHLGJOUCR-CQSZACIVSA-N 303.406 1.842 0 40 DDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cccc(Cl)c1 46094697 AOBSNGLGUGYTFY-SECBINFHSA-N 301.795 1.922 0 40 DDAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCCCC1 101648099 XKUHTUSHTWEUBD-GVAFMPQTSA-N 316.401 1.633 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 32401363 JDIHLHDGYYQFPE-UHFFFAOYSA-N 316.810 1.501 0 40 DDAB CCOc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1 21264693 BIDKGAUQNBEJAE-UHFFFAOYSA-N 321.402 1.966 0 40 DDAB CCN(C(=O)c1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 32903865 ZBOXMCGYEHRGFC-ZDUSSCGKSA-N 311.403 1.653 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69777475 QTDFNGQYMYCYDV-JVUFJMBOSA-N 315.295 1.734 0 40 DDAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(F)cc1F 23142079 DTGIVGCQTYREHW-UHFFFAOYSA-N 323.299 1.232 0 40 DDAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1nccnc1N 9737644 SBIOGHFKZJQCGE-SNVBAGLBSA-N 300.318 1.551 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)on1 103164233 LENNUYZAVXDLCK-MRVPVSSYSA-N 302.290 1.857 0 40 DDAB Cc1cc2c(=O)n(NC(=O)c3cnn(C)c3)c(C)nc2s1 2777822 VJKUJRWEALWQKM-UHFFFAOYSA-N 303.347 1.192 0 40 DDAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccc3c2OCCO3)[C@H]2C=C[C@H]1C2 103628100 QWPZKEHPQVSBON-NUZBWSBOSA-N 315.325 1.919 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 22737523 BCPBUILYXSCONE-SNPRPXQTSA-N 324.380 1.915 0 40 DDAB Cc1ccnc([C@@H](NC(=O)COC[C@H]2CCCO2)C2CC2)n1 89701890 BYPQJRZTSZJRDY-HIFRSBDPSA-N 305.378 1.548 0 40 DDAB CCOC(=O)C1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 54576461 PWCYDJUAXUATQV-CYBMUJFWSA-N 322.409 1.504 0 40 DDAB CC(=O)N1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 23750378 XDYFJHZEJRVBMW-LLVKDONJSA-N 300.362 1.148 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 42718698 FCJJRUNOBKTSKV-IAQYHMDHSA-N 306.362 1.152 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1 42870447 UMXUNKSCFFPHPY-SNVBAGLBSA-N 300.405 1.003 0 40 DDAB O=C([C@@H]1CCOC1)N1CCN(C2Cc3ccccc3C2)CC1 67967637 AUDGUFUBWIKDJR-MRXNPFEDSA-N 300.402 1.335 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NOCc1ccccc1 25285291 DDVNQQYRAXAKNR-CYBMUJFWSA-N 312.391 1.049 0 40 DDAB NC(=O)CN1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 44066925 BALLZSDVAQUUSD-UHFFFAOYSA-N 321.446 1.306 0 40 DDAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1COCCO1 47954326 DDAOOTWLGVLJHH-LBPRGKRZSA-N 319.279 1.959 0 40 DDAB O=C(c1ccco1)N1CCN(Cc2nccn2C(F)F)CC1 302919707 YVZBOCKFGNVFGW-UHFFFAOYSA-N 310.304 1.829 0 40 DDAB Cc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)n(C)n1 58246218 KHCMPKRXJJLPQP-GFCCVEGCSA-N 318.446 1.967 0 40 DDAB C[C@@H](NS(C)(=O)=O)c1cc(F)ccc1N1CCN(C)CC1 58266099 VUGAETNBQFIIQW-LLVKDONJSA-N 315.414 1.188 0 40 DDAB NC(=O)N[C@H](CC(=O)Nc1nncs1)c1ccccc1F 44918476 ZPLJXYKHQFOGQF-SECBINFHSA-N 309.326 1.415 0 40 DDAB CCCn1nc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)ccc1=O 44942181 HNMNGRLQPMPEMX-ZFWWWQNUSA-N 321.421 1.978 0 40 DDAB O=C(O)[C@@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 62118644 MCBNHNFTWZIGGH-MRVPVSSYSA-N 301.701 1.791 0 40 DDAB COCCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 44942253 DSFADGLRIISUIS-UHFFFAOYSA-N 306.341 1.871 0 40 DDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1 36390252 PIWHNLJQFYCRRZ-NSHDSACASA-N 310.354 1.084 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(N)=O)c2)on1 28357552 KFXIVNJIBLXYHV-JTQLQIEISA-N 318.333 1.286 0 40 DDAB CC(C)(C)OC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911240 QRGDQCKPLJPCPM-UHFFFAOYSA-N 320.267 1.308 0 40 DDAB C[C@@H](CNC(=O)NC[C@H]1CCOC1)N1CCc2sccc2C1 48261234 HIZAEDARLFATNU-QWHCGFSZSA-N 323.462 1.830 0 40 DDAB Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)o1 3455196 FCKNWDUTXPLWFW-UHFFFAOYSA-N 317.297 1.790 0 40 DDAB Cc1nc(SCC(=O)N2CCOC2=O)c(C(N)=O)c(C)c1C 12923679 ZKJWJDCWDPOOOW-UHFFFAOYSA-N 323.374 1.177 0 40 DDAB COCCN1CC[C@@H](CNC(=O)COCc2ccccc2)C1 68493108 WGLQOUNHWYRURQ-INIZCTEOSA-N 306.406 1.288 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccnn1Cc1cccs1 7990725 OFMGNDYJJPJUQD-UHFFFAOYSA-N 322.415 1.464 0 40 DDAB CCCn1nnnc1C[S@@](=O)[C@H](C)C(=O)Nc1ccccc1 69565914 NAASGHXTEQPZAO-XFNZEKPQSA-N 321.406 1.359 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 4226918 MHSDXHURANOMDH-QWRGUYRKSA-N 316.835 1.989 0 40 DDAB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)Nc1nccs1 13723342 CMIVMDVEKVUTEI-NSHDSACASA-N 319.342 1.038 0 40 DDAB Cc1ccc(N2C(=O)C(=O)N(Cc3noc(C)n3)C2=O)c(C)c1 69558083 QGJKSCDJZXWNSJ-UHFFFAOYSA-N 314.301 1.490 0 40 DDAB Cc1noc(C)c1NC(=O)CS[C@H]1CCS(=O)(=O)C1 68935017 GIKYCZWHURUZON-VIFPVBQESA-N 304.393 1.150 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccc(F)cc2)C1=O 8184063 IJXZFKNAPDWTHL-RFAUZJTJSA-N 323.324 1.345 0 40 DDAB CC(C)c1ccc(CCNC[C@H](O)CN2CCOCC2)cc1 6590167 IXVMTCIAKXMVRW-SFHVURJKSA-N 306.450 1.635 0 40 DDAB O=C(NCCN1CCOCC1)N1CC[C@H](c2cccc(F)c2)C1 69698808 PEVOLKXQFLYJAX-HNNXBMFYSA-N 321.396 1.657 0 40 DDAB CCN(CC(=O)NC)C(=O)[C@H](C)NC(=O)CC1CCCCC1 69628948 KGDIRJOWZBSCKC-LBPRGKRZSA-N 311.426 1.056 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 66771833 SSPORSOMYPQLCD-CMPLNLGQSA-N 319.361 1.178 0 40 DDAB O=C1CNC(=O)N1CCN1CCC[C@H](c2ccccc2)CC1 66897901 WRWYPQKDBHMVHE-HNNXBMFYSA-N 301.390 1.808 0 40 DDAB c1ncn(C[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 69870936 FCLCYCRYHJAFGV-HNNXBMFYSA-N 314.389 1.962 0 40 DDAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCNCC2)C1 306139705 TXZMGZMAIJLBGS-UHFFFAOYSA-N 301.369 1.608 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2cccc3cnccc23)C1 71144457 DWEOBYWJRIOGGR-GFCCVEGCSA-N 305.403 1.465 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C1CCCC1 75583639 UMFQFTYITUSDOC-HUUCEWRRSA-N 319.409 1.137 0 40 DDAB COC(=O)C1(CNC(=O)Cn2nc(C)cc2C)CCCCC1 96010250 ZBASIEGRTOYDNP-UHFFFAOYSA-N 307.394 1.740 0 40 DDAB COC(=O)CSc1nc2nc(-c3ccccc3)cc(O)n2n1 9306788 QEFUHPQVDSGBGH-UHFFFAOYSA-N 316.342 1.762 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)n1 96435383 ZFNWZWHLUUQZBZ-PHIMTYICSA-N 305.382 1.139 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@@H]1COc2ccccc2O1 9581740 WHPHVFALGYNVBG-GFCCVEGCSA-N 302.330 1.790 0 40 DDAB O=C(c1c[nH]c2ccccc2c1=O)N1CCN2CCCC[C@@H]2C1 71839800 BJIAIZOBHPBQKL-CYBMUJFWSA-N 311.385 1.838 0 40 DDAB Cc1nccn1CCCNC(=O)c1cc2ccccc2c(=O)[nH]1 71821582 XCZVKYMWYUJVEJ-UHFFFAOYSA-N 310.357 1.853 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnn3cccnc23)n1 71870138 PDNBCMBGAOEYHY-AWEZNQCLSA-N 324.388 1.847 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCc3cccs3)C[C@@H]2C)CC1 76055349 ZZTXCOGGUOJUJR-YOEHRIQHSA-N 321.490 1.775 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1CCn2c(nnc2C2CC2)C1 72268834 MMUDAULYEQCEPH-LBPRGKRZSA-N 303.410 1.372 0 40 DDAB Cc1cnn(C2CN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)c1 72253856 ZERUOJTVWPUCKM-CYBMUJFWSA-N 316.409 1.426 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCCC1 72293120 USIOPHJORQTWAE-GJZGRUSLSA-N 305.426 1.706 0 40 DDAB Cc1ccc(Cl)c(OC[C@H](O)CN2CCNC(=O)CC2)c1 97109332 YDGYNLQQZCHDDF-GFCCVEGCSA-N 312.797 1.210 0 40 DDAB Cc1n[nH]c(C)c1[C@H](C)C(=O)OCC(=O)NCc1ccco1 97164538 UDUSCNUNAIKYDI-VIFPVBQESA-N 305.334 1.583 0 40 DDAB Cc1ccc(C(=O)Nc2cnccc2N2CCOCC2)n1C 97102551 WDUXZQPZWVMFBM-UHFFFAOYSA-N 300.362 1.817 0 40 DDAB Cc1c(C(=O)N[C@H]2CCc3nccn3C2)cnn1C(C)(C)C 97197609 MNSFXGBGGMMYSJ-LBPRGKRZSA-N 301.394 1.888 0 40 DDAB CN(C)c1ccnc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 97166096 ZDTMRSOTYWPPGM-UHFFFAOYSA-N 309.333 1.376 0 40 DDAB O=c1cc(CN2CCn3ccnc3C2)nc2ccc(Cl)cn12 97201435 DZVLCYSDUIOSHN-UHFFFAOYSA-N 315.764 1.560 0 40 DDAB CC1(C)NC(=O)N(CCCn2ccc3occc3c2=O)C1=O 95442457 YBLRZMLZRYIUTG-UHFFFAOYSA-N 303.318 1.315 0 40 DDAB CSCC[C@@H](O)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 95451495 XAXYYTNQMFLECA-LSDHHAIUSA-N 310.463 1.828 0 40 DDAB Cc1cc(CCCC(=O)NN2CC(=O)N(C)C2=O)c(C)s1 95456617 LZNNLMCOYUJUDQ-UHFFFAOYSA-N 309.391 1.613 0 40 DDAB Cc1nc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)oc1C 78900200 UASIGKNPNFDWSA-LLVKDONJSA-N 303.366 1.493 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1 88059561 PBUBWUQJLLNRRY-QMMMGPOBSA-N 309.218 1.976 0 40 DDAB CN1CCC[C@H](N2CCN(C(=O)CC3(O)CCCCC3)CC2)C1 73729039 PLRCSBIPBNSKTC-INIZCTEOSA-N 323.481 1.310 0 40 DDAB COCCN1CCC[C@H]1CNC1CCN(c2ccccn2)CC1 95967643 LFIDUGXEZNRFPB-KRWDZBQOSA-N 318.465 1.751 0 40 DDAB Nc1ccnc(CSc2nnnn2-c2cccc(Cl)c2)n1 95972380 LNNKXJVNQNDMAI-UHFFFAOYSA-N 319.781 1.980 0 40 DDAB Cc1noc([C@H](C)N2CCC(NC(=O)c3cn[nH]c3)CC2)n1 1002371721 OTPDQHURUHKXDV-VIFPVBQESA-N 304.354 1.057 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCSCC2)C1 78926187 CAMIBFQLWXUYHM-LLVKDONJSA-N 315.439 1.754 0 40 DDAB CCCc1noc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)n1 72599685 ZNHVLMVOQPGDEP-AWEZNQCLSA-N 306.341 1.820 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1 185155717 UNDOYCYFJDZRLI-UHFFFAOYSA-N 323.374 1.987 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1COc3ccccc3C1)C2 72278946 NAYYVJBQIIPLAZ-HUUCEWRRSA-N 311.385 1.874 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 78701482 YSZKQPXVGXTUGO-ZDUSSCGKSA-N 307.369 1.673 0 40 DDAB C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C)CN1CCC[C@@H](C)C1 189147895 POXJWNIKICOQQG-MXWKQRLJSA-N 316.389 1.977 0 40 DDAB NC[C@H]1CCN(Cc2ccc(Cl)cc2Cl)S1(=O)=O 222537776 SBWOCPJVBDGQCM-SNVBAGLBSA-N 309.218 1.856 0 40 DDAB CCNC(=O)CN1CCN(C[C@@H](C)c2ccc(F)cc2)CC1 195572824 RVIPLLDEUNBPFR-CQSZACIVSA-N 307.413 1.683 0 40 DDAB CCNc1nc(C(=O)Nc2n[nH]c3c2c(C)nn3C)cs1 89977960 ZVFWIHJWYOQQLW-UHFFFAOYSA-N 305.367 1.745 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)CO 133355936 CTVWRVWPPXKATM-MRVPVSSYSA-N 308.197 1.417 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)C[C@@H](C)S1 96440403 IIJCJXIJPOCGQT-JHJVBQTASA-N 323.466 1.534 0 40 DDAB CN1CCN(C(=O)c2nnn(Cc3ccccc3)c2Cl)CC1 96183312 VKUOIQIHJYQKOA-UHFFFAOYSA-N 319.796 1.367 0 40 DDAB Cc1cc2occ(C(=O)N3CCC(O)(CN)CC3)c2cc1C 332053886 YQTJUZWVOVRGDM-UHFFFAOYSA-N 302.374 1.975 0 40 DDAB Cc1ccc(C)c(-n2cnc(=O)n2Cc2nnnn2C(C)C)c1 92276760 JWWZZOBPXDVKRH-UHFFFAOYSA-N 313.365 1.267 0 40 DDAB CCc1nnc2n1C[C@H](NCc1c[nH]nc1C(C)(C)C)CC2 97199522 WYTCDIXKESNDIZ-GFCCVEGCSA-N 302.426 1.966 0 40 DDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCC1)C2 514289145 IQHCJGKEPUWVJS-DLBZAZTESA-N 307.482 1.390 0 40 DDAB biogenic,in-vitro COCC(=O)NC[C@]12COC[C@H]1CN(Cc1sccc1C)C2 96108407 RRCAQYDAVKRPOT-CJNGLKHVSA-N 324.446 1.268 0 40 DDAB Cc1ncoc1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107997 QPAZUZFQQQGBTE-UONOGXRCSA-N 305.378 1.166 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2 96208301 DXYCRNGBYGMBDH-OAHLLOKOSA-N 303.406 1.365 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)NC3CCCC3)OCC(=O)N2C)cc1 96181478 MAHRMWJKOJDKNI-DLBZAZTESA-N 316.401 1.952 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2CO[C@@H](CN3CCCC3)[C@@H]2C1 96185418 XNPOBMJONATOTL-FMKPAKJESA-N 316.405 1.050 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ccc(C)cn1)[C@@H]2C 96109643 HJEYNMCHLPLYKR-GFCCVEGCSA-N 300.362 1.950 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2[C@@H]2CCOC2)N1Cc1ccncc1 96186402 CASHZOMKZVQZLY-PMPSAXMXSA-N 301.390 1.436 0 40 DDAB CC(C)CCN1C[C@H]2O[C@H](C[C@H]2C(=O)NCc2cccnc2)C1 248237355 CPYPWOWHPRBLOG-BRWVUGGUSA-N 317.433 1.833 0 40 DDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nc(C)cn2C)C1 257200935 AFKCHDWJOQKCMK-LLVKDONJSA-N 321.406 1.356 0 40 DDAB COCC(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 257277548 NYJAGVRNTTUYFU-UKPHBRMFSA-N 320.389 1.503 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2cscn2)n1 257253951 KAZUKTNSQNEINF-GFCCVEGCSA-N 305.407 1.857 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 257207271 BHAWXUIXCTYWTG-GFCCVEGCSA-N 320.418 1.934 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257255788 KIVXCDGAIHSYNL-LBPRGKRZSA-N 310.361 1.630 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCC2(CC1)OCCC[C@@H]2O 257264938 LWPRBFFRSWQHHU-HNNXBMFYSA-N 323.364 1.980 0 40 DDAB O=C(NCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 85466770 QLLRPUWXFBFQDC-KRWDZBQOSA-N 317.433 1.327 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 575403316 HDIAQWRUSMUDAO-WPLOAARJSA-N 318.373 1.139 0 40 DDAB CC[C@@H](C)N1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099382 HSLCCVONXWKXPV-DYVFJYSZSA-N 303.406 1.613 0 40 DDAB CN(Cc1ccccc1)C(=O)N1CCN(Cc2nc[nH]n2)CC1 585090455 OPWHQCFUAPWGJH-UHFFFAOYSA-N 314.393 1.174 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2ccccc2OC)Cc2ccnn21 585113062 YGKYWTMPJYIAQA-HNNXBMFYSA-N 314.389 1.585 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 42740238 MVVVYLHNPDFGBE-IJLUTSLNSA-N 305.465 1.602 0 40 DDAB Cc1ccc(-n2nnnc2N(C)CC(=O)N2CCCC2)cc1 54044903 VPWGOYYZLYTUNG-UHFFFAOYSA-N 300.366 1.029 0 40 DDAB O=C(/C=C/c1cccc2cccnc12)NCCN1CCOCC1 55544402 JZCPVSCNHKZTIL-VOTSOKGWSA-N 311.385 1.696 0 40 DDAB CC(=O)N1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 65428958 WQGGXOJTEHRECW-UHFFFAOYSA-N 315.826 1.818 0 40 DDAB CC(C)C(=O)NCCCn1nc(-c2ccncc2)ccc1=O 11746413 GMOWCGKAGSZWHI-UHFFFAOYSA-N 300.362 1.468 0 40 DDAB COCCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 13717299 ABYDEHYHKYKPFJ-UHFFFAOYSA-N 304.346 1.216 0 40 DDAB O=C(COc1ccccc1)OCc1nnnn1-c1ccccc1 17527190 YGRXTOGNEHHVDA-UHFFFAOYSA-N 310.313 1.785 0 40 DDAB Cc1nn(C)cc1NC(=O)CN1CCC[C@H]1Cn1cccn1 19658832 IUWOZZJFEJBXHU-ZDUSSCGKSA-N 302.382 1.028 0 40 DDAB Cc1cc(NC(=O)CSCC(=O)NCC(F)(F)F)no1 42236796 KTKRGHYGOYIOCU-UHFFFAOYSA-N 311.285 1.333 0 40 DDAB CCN1C(=O)N/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 4472477 WJJWESXEBWUVAQ-KPKJPENVSA-N 313.313 1.639 0 40 DDAB CN1CCC[C@H](C(=O)N2CCC[C@H](Oc3cnccn3)C2)C1 225469258 SNFWVMFIPDNKIV-KBPBESRZSA-N 304.394 1.188 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccc(-c3cccnc3)cc2)CN1 525740198 NFVVJOUOXIOQQM-INIZCTEOSA-N 309.369 1.891 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(F)(F)F)C2=O 3550882 AJAHGIVMAPHZOZ-PELKAZGASA-N 321.299 1.166 0 40 DDAB O=C(COCc1ccccc1)N1CCCN([C@H]2CCOC2)CC1 1848957585 OUTWEIHQYOVTKH-KRWDZBQOSA-N 318.417 1.526 0 40 DDAB CN1C(=O)CC[C@H]1c1nc(CNC(=O)Nc2ccccc2)no1 1775963951 LGGGYRFSSRFYBV-NSHDSACASA-N 315.333 1.685 0 40 DDAB biogenic,in-vitro O=C(c1ccoc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 244909806 AWIPBBYPYDVRFP-CHWSQXEVSA-N 300.314 1.055 0 40 DDAB O=C1CCCN1CC(=O)N1CCc2cc(Br)ccc21 69361005 JULDXOUNFJABAS-UHFFFAOYSA-N 323.190 1.961 0 40 DDAB COc1cnc(O[C@H]2CCN(c3nc(C4CC4)ns3)C2)nc1 2087126987 GBDCQUUYECOFPY-JTQLQIEISA-N 319.390 1.872 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)c3cccc(F)c3)C2)n1 1775967534 VPBXZHSZUFIKCM-UHFFFAOYSA-N 301.321 1.463 0 40 DDAB O=C(NCCn1ccn2nccc12)Nc1ccc2c(c1)OCO2 206747632 JWHWHKFMIKMXSW-UHFFFAOYSA-N 313.317 1.686 0 40 DDAB O=C(NCCn1ncccc1=O)c1ccc(-n2cccc2)cc1 38488149 YLVDMLVGQRRISX-UHFFFAOYSA-N 308.341 1.464 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1 585604091 XZYLMRPJODHSDW-UHFFFAOYSA-N 319.449 1.778 0 40 DDAB CC(C)CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19446411 UFBYPWRJEQIBEJ-CYBMUJFWSA-N 302.422 1.874 0 40 DDAB O=C(/C=C/c1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 85436643 QADCBFFDWMEPNP-NADMHLTPSA-N 300.402 1.615 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C(N)=O 30333082 CCPZCVVJCLPLFV-LLVKDONJSA-N 316.810 1.677 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 40486175 IMCWGTDHMFTPCS-VIFPVBQESA-N 304.268 1.884 0 40 DDAB Cc1cccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCC2)c1 40490116 IAZVHTORIOFOFW-AWEZNQCLSA-N 307.415 1.720 0 40 DDAB CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 40496390 SVQLEWRLANPNRO-LBPRGKRZSA-N 324.402 1.371 0 40 DDAB CNC(=O)CN(C)c1nc(-c2ccncc2)nc2ccccc12 40488156 RTKJPLFVWGREAM-UHFFFAOYSA-N 307.357 1.874 0 40 DDAB O=C(Nc1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1)c1ccccc1 42786 YGZQYMMFALYKCO-OCCSQVGLSA-N 315.329 1.166 0 40 DDAB C[C@@]1(c2ccc(NC(=O)c3ccccc3)cc2)NC(=O)NC1=O 40510948 BXWJGABYIJOGKU-KRWDZBQOSA-N 309.325 1.994 0 40 DDAB O=C(CCc1ccco1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 40505326 ZWEWFNPOLAYXBO-ZBFHGGJFSA-N 322.405 1.066 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccco2)c1 40513566 NFYDBZQDCFAWET-UHFFFAOYSA-N 323.374 1.187 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CCCC2)c1C 11239984 ILIIXLKYHZDKDA-UHFFFAOYSA-N 321.377 1.160 0 40 DDAB O=S(=O)(NCc1cscn1)c1ccc2c(c1)OCCO2 51159887 AQQMYPPUBJLZLO-UHFFFAOYSA-N 312.372 1.393 0 40 DDAB C1=C[C@H]2C[C@H]1C[C@@H]2CNC[C@@]1(N2CCOCC2)CCSC1 101542565 VZXKIOHAIBOJKR-NXOAAHMSSA-N 308.491 1.996 0 40 DDAB O=C1[C@@H]2CN(c3cnccn3)C[C@@H]2CCN1Cc1ccncc1 107254427 HTSHDNVAJLSBIN-LSDHHAIUSA-N 309.373 1.357 0 40 DDAB O=C(COc1cccc(F)c1)NCCc1nnc2ccccn12 11546292 MECSHDRWYUZWMS-UHFFFAOYSA-N 314.320 1.606 0 40 DDAB Cn1cccc1C(=O)NCCNC(=O)c1cc2ccccc2[nH]1 32754191 HTQQOBOUQMVUMN-UHFFFAOYSA-N 310.357 1.666 0 40 DDAB O=C1NS(=O)(=O)[C@H]2C(Cl)=C(Cl)[C@@]3(Cl)[C@@H]2[C@@]13Cl 104088301 XUUFIFMBRBNMQE-AMDBKKBASA-N 322.984 1.102 0 40 DDAB Nn1c(S)nnc1-c1ccc(I)cc1 8732351 VMISBHDBCBBLCK-UHFFFAOYSA-N 318.143 1.552 0 40 DDAB Cc1c(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cnn1C 21615318 CMRSXQZHSBTTQD-AWEZNQCLSA-N 301.346 1.715 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 32916644 XCRARZJYHLSKEE-GFCCVEGCSA-N 315.370 1.371 0 40 DDAB Nc1nn(C(=O)c2cccnc2N2CCOCC2)c2ccccc12 32912306 AMDOXKMZIZIIBD-UHFFFAOYSA-N 323.356 1.539 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)o1 32914347 DYLKRFPRJXSTOB-UHFFFAOYSA-N 301.349 1.205 0 40 DDAB Cc1ccccc1OCCCC(=O)N[C@@H]1CCS(=O)(=O)C1 32906370 SVHNOYXKZZXKFQ-CYBMUJFWSA-N 311.403 1.457 0 40 DDAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)O)c1 21808970 JDLCGBGRRYRBBS-SECBINFHSA-N 306.343 1.853 0 40 DDAB Cc1nc2ccc(NC(=O)CC[C@H]3NC(=O)NC3=O)cc2s1 33028742 LUCPKJSWYXLCCZ-SNVBAGLBSA-N 318.358 1.531 0 40 DDAB CN(Cc1ccccc1)C(=O)CN(CC(N)=O)C1CCCC1 52826169 BKFIIPDROQHJPE-UHFFFAOYSA-N 303.406 1.375 0 40 DDAB CC(C)(CNCc1cccnc1-n1cccn1)S(C)(=O)=O 89761802 ADXDMHSRXVDRTM-UHFFFAOYSA-N 308.407 1.180 0 40 DDAB O=C1NC[C@H](C(=O)NCc2ccc(-c3ccccc3F)o2)N1 89821254 DUKKYNYTXUKDSY-GFCCVEGCSA-N 303.293 1.383 0 40 DDAB O=C(NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 42243886 IBFNDWHOBUXISP-UHFFFAOYSA-N 311.340 1.596 0 40 DDAB CC(C)CN1C[C@@H](C(=O)NC[C@@H](c2ccco2)N(C)C)CC1=O 42476164 FAVBDCGRVRXVAA-KBPBESRZSA-N 321.421 1.503 0 40 DDAB Cn1ncc2c(N[C@H]3CCCN(c4ncccn4)C3)ncnc21 52427006 URZIRZYDGRLKNX-NSHDSACASA-N 310.365 1.234 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(F)cc1 23886680 JKFITELTMQHGNR-ZDUSSCGKSA-N 314.382 1.256 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCOCC1 24637917 RMYOHPHOSGHRAK-UHFFFAOYSA-N 323.345 1.856 0 40 DDAB O=C(Nc1cn[nH]c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 76018868 ITTDJRANLYZPCN-GFCCVEGCSA-N 319.752 1.990 0 40 DDAB O=C1CO[C@H]2CN(Cc3cccnc3)C[C@H]2N1c1ccccc1 67897060 GPVLQNCPLKONCL-SJORKVTESA-N 309.369 1.698 0 40 DDAB biogenic,in-vitro CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2ccnc(Cl)c2)C1 76376748 ZDACVLWRPMFSRI-MNOVXSKESA-N 316.810 1.821 0 40 DDAB COCCOc1ccc(NC(=O)NC2CCC(O)CC2)cn1 57506941 WWBDTEHEVCGKJR-UHFFFAOYSA-N 309.366 1.532 0 40 DDAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)c1ccccn1 47620042 NUMAPOHJNIYZJZ-LLVKDONJSA-N 315.358 1.592 0 40 DDAB CC(C)n1nc(C(=O)N2CCN(C)CC2)c2ccccc2c1=O 58176579 HDPDOOQNUADOQC-UHFFFAOYSA-N 314.389 1.365 0 40 DDAB CC(=O)N1CCCN(Cc2cc(=O)n3c(C)csc3n2)CC1 27564860 MHPZLSQWTOERMD-UHFFFAOYSA-N 320.418 1.119 0 40 DDAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CCO1 27577011 ZOQWQRGBFFEVDH-NSHDSACASA-N 315.391 1.503 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc(-n2ccnc2)nc1 12520746 UCJVHTQKGSJLCM-UHFFFAOYSA-N 300.347 1.934 0 40 DDAB Cc1csc(CNC(=O)NC[C@H](O)CN2CCCCC2)n1 44954788 FRCFDXIGCUPCCV-LBPRGKRZSA-N 312.439 1.098 0 40 DDAB Cc1csc(=O)n1CCC(=O)NC[C@@H]1CCN(C2CC2)C1 44934319 YBTYJYRFKYHVCU-LBPRGKRZSA-N 309.435 1.209 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cnn(C)c2)CC1=O 44915810 AOCXTPGZCXACJL-GXTWGEPZSA-N 312.373 1.968 0 40 DDAB COc1cccc(CN(C)C[C@H](O)Cn2cccn2)c1OC 44975174 CAXDNTGCKIRSGS-AWEZNQCLSA-N 305.378 1.393 0 40 DDAB O=c1cc2c(nn1CN1CCN(c3ccccc3)CC1)CCC2 58402851 SQVKWWFQMIFHIX-UHFFFAOYSA-N 310.401 1.512 0 40 DDAB C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCOCC1 58419736 FTFRUIPIWQUSQC-CYBMUJFWSA-N 312.369 1.817 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCCO1 28326665 NODCWAOJWSYJKS-CMPLNLGQSA-N 313.375 1.304 0 40 DDAB CC(C)(C)OC(=O)N1Cc2nnn(CC3CC3)c2[C@H](C(=O)O)C1 91302918 UENUOWXITKKJCJ-SNVBAGLBSA-N 322.365 1.607 0 40 DDAB in-vitro CCC(=O)N[C@](NNc1ccccc1)(C(=O)OC)C(F)(F)F 2313087 OICDDDILILKJCG-LBPRGKRZSA-N 319.283 1.561 0 40 DDAB Cn1nnnc1SCC(=O)N[C@@H]1CCCc2ccccc21 3409517 UKJVSARUEIBRAY-GFCCVEGCSA-N 303.391 1.496 0 40 DDAB C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 70173651 JVWIRUPHBUEESQ-IUCAKERBSA-N 322.352 1.852 0 40 DDAB CCC(C)(C)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 69656319 BBSMFYWBLKIXIL-UHFFFAOYSA-N 313.423 1.393 0 40 DDAB CC1=NN(C(=O)[C@H](C)n2cc(Cl)cn2)[C@](O)(C(F)(F)F)C1 6394403 REQOLVUWOUSIDT-OIBJUYFYSA-N 324.690 1.957 0 40 DDAB COc1ccc(OC)c(CNCCNC(=O)c2ccncc2)c1 4498104 SGUNXNSXXMYRQV-UHFFFAOYSA-N 315.373 1.618 0 40 DDAB Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)c(=O)[nH]1 65503067 CNEIQTHIMVGHFV-UHFFFAOYSA-N 305.422 1.877 0 40 DDAB C[C@@H]1CN(C(=O)COC(=O)c2n[nH]c3ccccc23)C[C@@H](C)O1 5360848 OBOOXWWIYWGXPL-GHMZBOCLSA-N 317.345 1.356 0 40 DDAB O=C(C[C@H]1CCCO1)N1CCCN(Cc2cscn2)CC1 69778985 UYQMGAMXHZMXKO-CQSZACIVSA-N 309.435 1.747 0 40 DDAB CCOCCCNC(=O)CCN1C(=O)COc2ccccc21 4687056 GYFATLRSBXFRJF-UHFFFAOYSA-N 306.362 1.345 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 69895712 PYKKXORRTRCOPK-GVDBMIGSSA-N 302.418 1.705 0 40 DDAB CN(C)C[C@@H]1CN(Cc2cccc(C(=O)N(C)C)c2)CCO1 69819196 DWJVDUQSVDMVKQ-MRXNPFEDSA-N 305.422 1.151 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc12 69919006 PQWQRXBJRDWHNB-CYBMUJFWSA-N 310.361 1.940 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H](O)COc1ccc(F)cc1 69901296 AZPMMXPNULQLHL-BZPMIXESSA-N 310.369 1.151 0 40 DDAB C[C@@H]1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 15340894 ITFIYOZXHGIURC-GHMZBOCLSA-N 301.346 1.101 0 40 DDAB O=C1CC[C@@H](C(=O)N[C@H]2CCc3c(Br)cccc32)N1 68192494 CEXRPQMIJPNNMB-RYUDHWBXSA-N 323.190 1.831 0 40 DDAB CON(C)C(=O)c1nnn(-c2ccccc2)c1C(F)(F)F 71185278 XEZRULGLAMXTNV-UHFFFAOYSA-N 300.240 1.920 0 40 DDAB Cc1cccc(OCC(=O)N2CCC(c3nc[nH]n3)CC2)c1 82978186 UQUWWYNTWVHTBU-UHFFFAOYSA-N 300.362 1.898 0 40 DDAB O=C(Cn1c(=O)n(CCO)c(=O)c2ccccc21)c1ccccc1 71282962 OBOBYVMDOJXOKV-UHFFFAOYSA-N 324.336 1.038 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CCn2cccn2)c(C)c1C 71910241 CBAMTHBHTXBPNS-UHFFFAOYSA-N 323.418 1.829 0 40 DDAB Cc1nc(CN(C)C(=O)NCc2ccc3c(c2)OCO3)no1 96004458 CFGRTAXLQAAZHZ-UHFFFAOYSA-N 304.306 1.448 0 40 DDAB CC(=O)Nc1nc(CN2CCCC[C@H]2Cn2cncn2)cs1 71876128 WGHRTIXYFXIZEK-ZDUSSCGKSA-N 320.422 1.748 0 40 DDAB COC(=O)CN(CCO[C@@H]1CCCC[C@@H]1C)Cc1cnn(C)c1 71899844 VCXPNUAICJLPLV-GOEBONIOSA-N 323.437 1.990 0 40 DDAB NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc12 83996183 VGBYJMRDVHINGT-KBPBESRZSA-N 318.398 1.772 0 40 DDAB Cc1noc(C)c1COC(=O)C1CCN(S(C)(=O)=O)CC1 21932903 AVVAPACUWAKJQX-UHFFFAOYSA-N 316.379 1.006 0 40 DDAB NC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nccs2)CC1 72285861 NNJNZLPDLGRNCR-LBPRGKRZSA-N 322.434 1.987 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H](c2ccn[nH]2)C1)C1CCCC1 72282724 MCKWUQJOTPJITJ-ZBFHGGJFSA-N 318.421 1.811 0 40 DDAB Cc1cccc(C)c1CNC(=O)N1CCOC[C@H]1C[C@@H](C)O 97162016 PKHBCZOXHWBJMA-HUUCEWRRSA-N 306.406 1.985 0 40 DDAB COCCNC(=O)[C@H](C)Oc1ccc(C(=O)O)cc1Cl 13315862 WGWLPKKOXZFKCD-QMMMGPOBSA-N 301.726 1.568 0 40 DDAB CC(C)N(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)nc1 84597248 REUBOLJDZIOAOG-UHFFFAOYSA-N 306.815 1.905 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)cc1 95464760 KSZVXRFHDMKEKV-MRXNPFEDSA-N 313.353 1.829 0 40 DDAB O=C1CNC(=O)N1CCNC1(c2ccc(Cl)cc2)CCC1 95948401 XLWJWIBPZIZIMN-UHFFFAOYSA-N 307.781 1.861 0 40 DDAB Cn1ccnc1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 95988896 ROWLIORIUAFNMN-HNNXBMFYSA-N 314.389 1.573 0 40 DDAB Cc1c(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cnn1C 95991314 MIFGHYOEAYMRFR-RYCVTPFZSA-N 307.394 1.780 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(N)=O 95942371 WTAFGNQJHVKBNE-NOZJJQNGSA-N 309.366 1.725 0 40 DDAB Cc1cnc(NC(=O)c2ccc(=O)n(C)n2)c(Br)c1 95973916 DAIASOYLZUSFLC-UHFFFAOYSA-N 323.150 1.499 0 40 DDAB CCc1cc(=O)nc(CN2CCCN(c3nccs3)CC2)[nH]1 89282864 BXYNBQWKGOAVNC-UHFFFAOYSA-N 319.434 1.501 0 40 DDAB COC(=O)CCCNC(=O)c1ccc2oc(N(C)C)nc2c1 89326907 GWRFCSJYQZWXAR-UHFFFAOYSA-N 305.334 1.577 0 40 DDAB Cn1cc(CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 75123104 FBNBNMTZHFULHD-UHFFFAOYSA-N 315.255 1.449 0 40 DDAB O=C(NC1CC1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408975777 NDCAUTRFNFLGJK-UHFFFAOYSA-N 308.297 1.169 0 40 DDAB Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)c(C(=O)O)c1 408712688 IGQCGGSWWGZDRZ-UHFFFAOYSA-N 313.357 1.999 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC)cc1Cl 408591741 JIEMVSIRFPKBSZ-MRVPVSSYSA-N 320.798 1.152 0 40 DDAB CC(C)C[C@@H](N)c1noc(-c2cn(C3CCOCC3)nn2)n1 515300327 AHGRWHOUUNQUBU-LLVKDONJSA-N 306.370 1.726 0 40 DDAB CC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 72225642 IJFJCGFOWSUJGT-GOSISDBHSA-N 310.401 1.798 0 40 DDAB Cc1nc(CN2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)cs1 72388100 OPLGTLKPOZFFFH-CQSZACIVSA-N 318.402 1.519 0 40 DDAB CC(C)n1nccc1C(=O)N(CCS(C)(=O)=O)C(C)(C)C 123272420 SLXNHVFWSCXKRD-UHFFFAOYSA-N 315.439 1.749 0 40 DDAB c1ccc(COC2CN(c3ncnc4c3CCNCC4)C2)cc1 72432916 YQDOGNBTXOTEBX-UHFFFAOYSA-N 310.401 1.570 0 40 DDAB C[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1 32699761 NKFRMJHGBWQCGR-JSGCOSHPSA-N 310.419 1.330 0 40 DDAB O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H](O)C1 78998802 VQZGAMVSWKCHGF-ZNMIVQPWSA-N 308.422 1.399 0 40 DDAB C[C@H](Nc1ncnc2cc(F)ccc12)C(=O)N1CCOCC1 79089544 KACHIRGJMRSCHW-JTQLQIEISA-N 304.325 1.428 0 40 DDAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)CC)c2)C1 45953912 UMZHTWMTPRJVTQ-NSHDSACASA-N 304.346 1.951 0 40 DDAB Cn1cccc1[C@H]1COCCN1CC(=O)NCCC(C)(C)C 132003216 WGUJLHZAEMESOU-OAHLLOKOSA-N 307.438 1.951 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCOC1 81666404 AANBCKFFOWYISB-INIZCTEOSA-N 324.465 1.812 0 40 DDAB CC(C)CN1CCO[C@@H](COC(=O)c2cn3ccnc3s2)C1 190806613 INVDLLPLGBLJPA-GFCCVEGCSA-N 323.418 1.909 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]2CCC[C@@H]21 96437698 DBBOQMAWRNVZES-XQQFMLRXSA-N 300.424 1.395 0 40 DDAB COCC(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96065904 CYOQTACQHUVNRZ-SGMGOOAPSA-N 310.325 1.004 0 40 DDAB C[C@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1 91335576 LFFRGZVGGGIZNN-WFASDCNBSA-N 323.462 1.469 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(Cc1ccco1)CC2 96058945 UJGCBHKREYFMBN-UHFFFAOYSA-N 303.410 1.770 0 40 DDAB CS(=O)(=O)CCOCCNc1nc(C(F)(F)F)cs1 96482705 IMYWEGVLIDBWAS-UHFFFAOYSA-N 318.342 1.635 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)s1 96245863 XIQGPTANKSBQCQ-KBPBESRZSA-N 321.446 1.320 0 40 DDAB COc1ccccc1NC1CCN(CCS(C)(=O)=O)CC1 96461297 SCZARWBRJAPUTQ-UHFFFAOYSA-N 312.435 1.616 0 40 DDAB CCNS(=O)(=O)CCNC(=O)C[C@@H](C)c1ccccc1C 96407564 NVBKWGOWSLWAGR-CYBMUJFWSA-N 312.435 1.544 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2ccncc2)CC1 96473719 JQAYECQSDBPQJC-ZDUSSCGKSA-N 312.377 1.021 0 40 DDAB Cc1c(CCC(=O)NCc2nnc(C(C)C)n2C)cnn1C 332347230 ULVUVUFGXXZUAU-UHFFFAOYSA-N 304.398 1.229 0 40 DDAB Cc1occc1C(=O)N1CCN(CCOC[C@@H]2CCCO2)CC1 95400865 YRQRAMHGUNIKPB-HNNXBMFYSA-N 322.405 1.541 0 40 DDAB Cc1n[nH]cc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257226366 FKIVOYSHXIGMEH-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252516233 QQDLQDQLUAFBNE-LOWVWBTDSA-N 317.794 1.111 0 40 DDAB CN1CCC[C@@H]1c1cncc(C(=O)NCCN2CCCC2)n1 257229459 FYFDCVKFUFJSKW-OAHLLOKOSA-N 303.410 1.069 0 40 DDAB O=C(c1cccc(Cl)c1)[C@@H](Cn1cncn1)n1cncn1 255188023 IIODLQZWAGKZAH-GFCCVEGCSA-N 302.725 1.647 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 257244820 IMYPCYJYQOZGQH-GOSISDBHSA-N 316.401 1.081 0 40 DDAB Cn1c(C(F)(F)F)nn(CC(=O)OCc2ccccc2)c1=O 85470758 NISZPHWFAVDATK-UHFFFAOYSA-N 315.251 1.344 0 40 DDAB Cn1nc(C(=O)N2CCC(Oc3ccsc3)CC2)ccc1=O 575618185 FDFAWDSQHYQWJR-UHFFFAOYSA-N 319.386 1.525 0 40 DDAB CC(=O)N1CC[C@H]2[C@H](CCCCN2CC2(O)CCOCC2)C1 585287127 UENHJXWUYBJJRF-CVEARBPZSA-N 310.438 1.251 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cc(C)nn1C)[C@H]2C 585098100 UEIYFDSJLDMTBX-LBPRGKRZSA-N 304.398 1.433 0 40 DDAB COc1ccc(C(=O)N2CC3(C[C@@H](CO)CN3C)C2)cc1Cl 585093978 VSJVDFBERDCMEE-LLVKDONJSA-N 324.808 1.487 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)on1 44643117 YTLKCFJAVDWZKB-VIFPVBQESA-N 313.335 1.221 0 40 DDAB Cc1ccc(C(=O)OCc2cnn(C)c2)cc1S(C)(=O)=O 56229534 QLHVCNIOJWKBHB-UHFFFAOYSA-N 308.359 1.489 0 40 DDAB CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccccc32)N2CCC[C@H]12 54969060 PQRURSASPIIZFM-KHIZAZIESA-N 300.358 1.881 0 40 DDAB Cc1ncc(C(=O)NCCNC(=O)Cc2cccc(F)c2)s1 65403927 VBUFEXZVOUMQHD-UHFFFAOYSA-N 321.377 1.679 0 40 DDAB 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SCJXZXARMJQTEN-UHFFFAOYSA-N 308.341 1.983 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)COC(=O)C2=COCCO2)cc1C 5894644 JGGGEWWLISOCKE-CYBMUJFWSA-N 319.357 1.912 0 40 DDAB O=S(=O)(N[C@@H]1CCN(C2CCOCC2)C1)c1ccccc1 1888853856 JOADKBCATXLDQB-CYBMUJFWSA-N 310.419 1.218 0 40 DDAB Cc1cnc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)s1 1889101249 ZQRBEAGCIJCHIF-JTQLQIEISA-N 301.437 1.502 0 40 DDAB COc1ccc(CN2CCO[C@@H](C(=O)N3CCCC3)C2)cc1 1889124883 DJTNKTWPSIVVAW-MRXNPFEDSA-N 304.390 1.518 0 40 DDAB Cc1noc(C)c1CN1CCC(NS(=O)(=O)C2CC2)CC1 1849265215 ACZBAVRRKMRCDW-UHFFFAOYSA-N 313.423 1.338 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(-c2ccc(F)cc2)c1C 30547785 NZCOCBGKMPDHKX-UHFFFAOYSA-N 304.325 1.186 0 40 DDAB O[C@@H]1CCN(C2CCN(c3nc4cnccc4s3)CC2)C1 1776000688 FWWDTPALSOYYIF-GFCCVEGCSA-N 304.419 1.727 0 40 DDAB CCc1c(C)ncnc1N1CCN(c2ncc(F)cn2)CC1 1776009180 VNOHXNFGHMPWAG-UHFFFAOYSA-N 302.357 1.603 0 40 DDAB CCOCC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839685 AKHFJIWRIUYLPE-KRWDZBQOSA-N 318.373 1.057 0 40 DDAB O=C(N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1)C1(F)CCC1 1565546528 FWJLKOCQIKCNOW-WFASDCNBSA-N 320.368 1.541 0 40 DDAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3csnn3)C[C@@H]21 1565545199 XBARVYDIQBIPLO-MWLCHTKSSA-N 315.402 1.863 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)C1CC(C)C1)CC2 1565546506 DLGFUMGTYLIETM-UHFFFAOYSA-N 308.422 1.663 0 40 DDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[C@H]1CCCO1 425344 LINMRCJYUMUGQW-SNVBAGLBSA-N 319.386 1.354 0 40 DDAB CCN1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 19361270 BUTVGCHSCQGEIQ-CQSZACIVSA-N 324.421 1.081 0 40 DDAB CC(C)(C)NC(=O)C(=O)NCC1(c2cccs2)CCOCC1 21690581 BZIRDFGEHIRMAT-UHFFFAOYSA-N 324.446 1.827 0 40 DDAB CN1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 22999034 RBVKREOYJDIEPW-UHFFFAOYSA-N 311.332 1.361 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 606440769 XOIOUAAUTZWMRQ-YPMHNXCESA-N 300.362 1.910 0 40 DDAB O=S1(=O)CC[C@H](NC2CCN(Cc3ccccc3)CC2)C1 21511700 JUEKRDPDUFEHBQ-INIZCTEOSA-N 308.447 1.428 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)NCC(=O)NCC(F)(F)F 50152657 UTFGFPWOGVGVNH-MRVPVSSYSA-N 323.340 1.657 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)c1 20101091 FUZUVGNENUDTDF-JTQLQIEISA-N 319.390 1.113 0 40 DDAB CCOC(=O)N[C@@H](C(=O)Nc1cccc(NC(N)=O)c1)C(C)C 30727635 KNXVBLQUAOUXQE-GFCCVEGCSA-N 322.365 1.886 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c(C)s1 20285341 QNLBIMHPVLRDPT-JTQLQIEISA-N 303.405 1.850 0 40 DDAB NC(=O)[C@@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccccc1 40497240 MJNAYKHEGXSGPG-AWEZNQCLSA-N 309.329 1.140 0 40 DDAB CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1 40497048 CJVZTLLEAKZBPC-UHFFFAOYSA-N 323.374 1.011 0 40 DDAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 40498914 MJWGKNXEOYKKCC-JTQLQIEISA-N 321.764 1.410 0 40 DDAB NC(=O)[C@H]1CN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)CCO1 50859891 OGPIDURRRDPKMC-MRXNPFEDSA-N 323.352 1.647 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(Cl)cc2)CC1 51319558 LDMIXWLIUMBCDJ-UHFFFAOYSA-N 317.776 1.991 0 40 DDAB O=C(Nc1nc[nH]n1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 20724380 JDZKIJZDVZDUDP-JTQLQIEISA-N 319.752 1.445 0 40 DDAB OCCNc1ncnc2c1nnn2Cc1ccccc1Cl 4966658 VKTGPLPHPQNQNQ-UHFFFAOYSA-N 304.741 1.327 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 6578729 SQUFGDYPEMAOPX-UHFFFAOYSA-N 311.190 1.360 0 40 DDAB CC1=NN(Cc2ccccc2)C(=O)[C@H]1C(=O)Nc1nncs1 101775409 ZBERXOXNVUFULE-LLVKDONJSA-N 315.358 1.511 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 10302492 SRIJBUJUMZURTH-ZDUSSCGKSA-N 302.440 1.451 0 40 DDAB Cc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(C)s1 8252026 RSBZPXQCSXQHOU-UHFFFAOYSA-N 324.402 1.246 0 40 DDAB CCOc1cc(CNCCOC)cc(Cl)c1OCC(N)=O 8253765 XUOGMUVZGWYSNX-UHFFFAOYSA-N 316.785 1.339 0 40 DDAB NC(=O)[C@H]1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1 52393833 AUYQNKOSVRHYSW-NSHDSACASA-N 313.386 1.769 0 40 DDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC)C1=O 32859592 VEJYUUJYTVQLRM-AWEZNQCLSA-N 309.753 1.243 0 40 DDAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cnccn2)c1 32837320 NEOKKIFLCADWQY-UHFFFAOYSA-N 311.345 1.428 0 40 DDAB CS(=O)(=O)CCC(=O)Nc1ccc(F)cc1Br 71930367 RNMOEFYKCFPHCM-UHFFFAOYSA-N 324.171 1.961 0 40 DDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 107712096 XVAKKNDBBKGKHY-CABCVRRESA-N 317.451 1.634 0 40 DDAB COC(=O)CCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 32990113 BUEQPAMFAQMGLD-UHFFFAOYSA-N 318.377 1.693 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCOC1 41373391 NWYNVAZCAUCGOV-GFCCVEGCSA-N 301.346 1.647 0 40 DDAB O=C(CCc1nc(-c2ccccn2)no1)NC[C@@H]1CCOC1 41365974 APVTYTOHWBBTAY-NSHDSACASA-N 302.334 1.217 0 40 DDAB C[C@H](OC(=O)[C@H](C)N1CCOCC1)C(=O)Nc1cccc(F)c1 71921293 MEBDSHAPINJCNZ-RYUDHWBXSA-N 324.352 1.417 0 40 DDAB C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 815440 BHBPXWVVBSVXNP-CHWSQXEVSA-N 311.403 1.237 0 40 DDAB CN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)C1 104792799 YIHGCHCBZBKEDN-RBSFLKMASA-N 307.369 1.311 0 40 DDAB COC(=O)c1ccc2c(=O)n(CCN(C)C)c(S)nc2c1 20645196 DHXFTIDUVQIGOR-UHFFFAOYSA-N 307.375 1.033 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(C)ccn1 24581081 QIBLNEGJIKPDJI-UHFFFAOYSA-N 321.358 1.298 0 40 DDAB COc1ccc(Cn2ncc3cc(C(N)=O)cnc32)c(OC)c1 47454649 BHTVOUIVOMULHP-UHFFFAOYSA-N 312.329 1.596 0 40 DDAB C[C@@H](O)CNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 47674058 GXNUZOXJUBAKSQ-SECBINFHSA-N 314.769 1.681 0 40 DDAB CC(C)c1nccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 106462301 VWRQNNFXSNLOIJ-CYBMUJFWSA-N 304.394 1.428 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 47699242 KIDYSIKSSUKPDC-CQSZACIVSA-N 310.419 1.029 0 40 DDAB CC(C)[C@H](C(=O)NCc1ccncc1)N1C[C@@H](C)O[C@H](C)C1 106515968 OADDOMDFUWXDJV-IIAWOOMASA-N 305.422 1.832 0 40 DDAB C[C@@H](O)CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 47673757 SUUAIJGGQPMDGE-MFKMUULPSA-N 322.796 1.843 0 40 DDAB C[C@@H]1CCC[C@@H](OCC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1 106852189 NJFQIQJNNHOGST-FVQBIDKESA-N 318.417 1.795 0 40 DDAB CS(=O)(=O)CCNC(=O)c1csc(Br)c1 37740889 SOHRQDOVYGYQOQ-UHFFFAOYSA-N 312.210 1.285 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@H]2C)c(F)c1 108157988 FWJFQUMWNYVKCQ-NWDGAFQWSA-N 300.399 1.847 0 40 DDAB CC(C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449782 LDQJLMNXRBTBLL-BQYQJAHWSA-N 300.380 1.209 0 40 DDAB COc1ccc(COC[C@@H](O)CNC(=O)C2CCCC2)cc1 58281716 VBLMYZBGYOEFKE-HNNXBMFYSA-N 307.390 1.879 0 40 DDAB O=C(CCNc1ncccn1)Nc1ccn(Cc2cccnc2)n1 58222901 WVOFELOURKJHBQ-UHFFFAOYSA-N 323.360 1.557 0 40 DDAB Cc1ccccc1NCCC(=O)NC[C@H](C)N1CCOCC1 58323952 RIHWJHMRABCWKF-HNNXBMFYSA-N 305.422 1.634 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(O)c1 409204630 BYDNNKTUCXZCKY-FCIDVOKBSA-N 314.341 1.362 0 40 DDAB O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)NCC(F)(F)F 12911088 FRUYHTMBPQXDOQ-GFCCVEGCSA-N 320.286 1.878 0 40 DDAB Cn1c(=O)n(C[C@H](O)COCc2ccccc2)c2ccccc21 12906242 IDCCMJFMMRBBNX-HNNXBMFYSA-N 312.369 1.918 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(C)=O)c1C 3522074 OUOGPQNTVURGFG-JTQLQIEISA-N 323.349 1.225 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)CCc1nc(C(C)(C)C)no1 69350320 ZUIOVBAHBJJCHY-JTQLQIEISA-N 310.398 1.331 0 40 DDAB Cc1nc2n(n1)[C@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 17029194 YDYMFIBZTNKOAG-JTQLQIEISA-N 305.725 1.762 0 40 DDAB Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc(O)ccc12 13690463 LUUAQBJOGMXAMI-UHFFFAOYSA-N 318.373 1.417 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)CCNc3ncccn3)C2)c1 69464654 OWAVFCKSMDNWPI-AWEZNQCLSA-N 314.393 1.647 0 40 DDAB CCN1CCN(c2cc(CNC(=O)N3CCCC3)ccn2)CC1 64623661 VKGQFHXBRPFFCV-UHFFFAOYSA-N 317.437 1.529 0 40 DDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1Cc2ccccc2O1 69415202 YHTYPMQKANSOCX-WBVHZDCISA-N 318.417 1.559 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2nccn2C)[C@H](C)C1 69454029 AUPOCFMIPKHEOZ-GFCCVEGCSA-N 303.410 1.731 0 40 DDAB COc1ccc(C2(CNC(=O)[C@H]3CCOC3)CCOCC2)cc1 65542292 QFYPGDRRAHXCQN-AWEZNQCLSA-N 319.401 1.896 0 40 DDAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1CCCCC1 5319654 FYAMVOLNXOOIAG-UHFFFAOYSA-N 317.414 1.959 0 40 DDAB Cc1noc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69700107 CYRWORNUSXIUAE-LBPRGKRZSA-N 318.381 1.393 0 40 DDAB O=C(COC1CCCC1)NCCNC(=O)Cc1ccccc1 69739002 BOQCHXKFQARMPF-UHFFFAOYSA-N 304.390 1.421 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N1CCN(c2ncccn2)CC1 6881257 XULYOCMWSBIKKA-UHFFFAOYSA-N 322.412 1.857 0 40 DDAB COC(=O)[C@H](CCSC)NC(=O)N1C[C@@H](C)C[C@@H](C)C1 16033956 UBFIKDSZWHOTDK-TUAOUCFPSA-N 302.440 1.969 0 40 DDAB NC(=O)CN1CCCN(C(=O)CCCc2cccs2)CC1 71829407 ZHPCDKGCWNTBEC-UHFFFAOYSA-N 309.435 1.090 0 40 DDAB C[C@@H](CCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 71803958 BUTMBNKBWSHKRX-ZDUSSCGKSA-N 310.419 1.620 0 40 DDAB O=C(Cc1cccc(Cl)c1)N1CCCS(=O)(=O)CC1 71896573 ABDZOGOIGSHQDE-UHFFFAOYSA-N 301.795 1.530 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 71837310 VKISRWZRZGFWNC-ZIAGYGMSSA-N 305.353 1.589 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC 71829807 NNXCQANOZNJACT-AAEUAGOBSA-N 320.389 1.359 0 40 DDAB OC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc2nnnn2n1 72296132 JHLBPVBIHMYVJH-NSHDSACASA-N 309.333 1.016 0 40 DDAB Cc1nc(CN2CCC[C@@H](NC[C@H](O)c3ccccc3)C2)no1 72234596 ZZIOJPSDVHDOKA-CVEARBPZSA-N 316.405 1.666 0 40 DDAB CCc1cc(CNC(=O)c2cccc(S(C)(=O)=O)c2)[nH]n1 72281147 MKXKWUDBCJNYRE-UHFFFAOYSA-N 307.375 1.306 0 40 DDAB Nc1nc(CN2CCS[C@@H]3COCC[C@@H]32)nc2ccccc12 97083767 AZRBFHMCLSBRGZ-UONOGXRCSA-N 316.430 1.918 0 40 DDAB CC(C)CN1C(=O)C(=O)N(CCc2cccc(F)c2F)C1=O 97085445 SGFNPHBPHPLATM-UHFFFAOYSA-N 310.300 1.954 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)CNc2ccc(F)cc2Cl)C1 72314825 SUXRRZTZFZIUIZ-VIFPVBQESA-N 313.760 1.615 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C)nc1)CC2 89986438 FHKJAVHYNJHZLP-GJZGRUSLSA-N 304.390 1.782 0 40 DDAB Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CC(=O)N(C)C2)o1 76067365 ZIPBJQGROQCKPM-RYUDHWBXSA-N 308.403 1.683 0 40 DDAB O=C1CNC(=O)N1CCNCc1cc(Cl)cc2cccnc12 95418537 IDIDKMBRJCTIBX-UHFFFAOYSA-N 318.764 1.530 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)no1 78881208 CHHZNUDBWURKNJ-UPJWGTAASA-N 315.377 1.833 0 40 DDAB CN(C)c1ncc(NC(=O)N2CC[C@H](CN3CCCC3)C2)cn1 95984876 UYQWCHGXMBLFFH-CYBMUJFWSA-N 318.425 1.492 0 40 DDAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cn1 95989294 CXARCVYGMDXOFI-GFCCVEGCSA-N 300.366 1.633 0 40 DDAB COc1cc(CC(=O)N2CC[C@@H](CCO)C2)cc(OC)c1OC 89426516 KJTHSLXKNISTTH-LBPRGKRZSA-N 323.389 1.486 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccncc1 79491254 MFOMXYXPRLJBNP-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1nc[nH]n1 75145610 RBKQFLLSXHAZNC-CMPLNLGQSA-N 307.398 1.457 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@H](O)c2ccccc2)c(=O)[nH]1 75111045 HIKQJPUOIVOJRB-HNNXBMFYSA-N 315.373 1.525 0 40 DDAB NC(=O)C1CCN(C(=S)C2=Cc3ccccc3OC2)CC1 409196933 SPNDEXLDPLWAPT-UHFFFAOYSA-N 302.399 1.987 0 40 DDAB O=C(NN1CCCNC1=O)c1ncccc1NCC1CCC1 1548682244 ZPWMPUBDJUGYSP-UHFFFAOYSA-N 303.366 1.354 0 40 DDAB COCc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)cc1 547613187 ZLOGZJDWLLJZRE-NEPJUHHUSA-N 311.359 1.141 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(CCO)CC1 1551528267 WKECSMARTCEKOY-HZPDHXFCSA-N 303.406 1.415 0 40 DDAB CCN1CCN(S(=O)(=O)c2cccc(CSC)c2)CC1 72240354 CRLPLTVVPVMBJF-UHFFFAOYSA-N 314.476 1.876 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1cccn1 30554881 QBQVYPJVRDJMBY-CYBMUJFWSA-N 302.353 1.932 0 40 DDAB C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 32779599 LNVSJMFFJDPTSE-JOYOIKCWSA-N 313.379 1.023 0 40 DDAB COc1cccc(CNC(=O)NCCCN2CCCC2=O)c1 30986387 JMQOZSQTXCLFKF-UHFFFAOYSA-N 305.378 1.507 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)cc1F 77940100 BMUQFWJAGRSZAM-ZANVPECISA-N 312.316 1.571 0 40 DDAB Cc1cc(N[C@H]2CCc3nc(C(C)C)nn3C2)n2ncnc2n1 70006935 CMDQKGMRQXWGSC-NSHDSACASA-N 312.381 1.575 0 40 DDAB C[C@H](N)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 79412725 IZTFITTVLWSCSJ-ZDUSSCGKSA-N 319.405 1.499 0 40 DDAB CC(C)CNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223323862 KXPPOBMNXKZHIT-UHFFFAOYSA-N 316.398 1.360 0 40 DDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccoc3)C2)nn1 225447228 CPHBJLUFMNJIBG-GFCCVEGCSA-N 302.334 1.429 0 40 DDAB Cc1cc(C)cc(CS(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)c1 573852134 DKZIWWCZTVFMLZ-KBPBESRZSA-N 309.387 1.752 0 40 DDAB Cn1cc([C@@H]2CN([C@H](C(=O)O)c3ccc(F)cc3)CCO2)cn1 571691830 PCKFJYLNRFQMPH-GJZGRUSLSA-N 319.336 1.758 0 40 DDAB C[C@@H]1OCCN(c2cc(N3CCO[C@@H](C)[C@H]3C)ncn2)[C@H]1C 195567134 NIBDGNTVKKRPIV-CRWXNKLISA-N 306.410 1.704 0 40 DDAB CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC(C)(C)O1 194550532 YZRNCBMEYPQQLP-ZJUUUORDSA-N 324.343 1.763 0 40 DDAB O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(O)nn1 96495274 DFTKMXCCTNFWIW-NSHDSACASA-N 303.293 1.965 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cc(C4CC4)on3)[C@@H]2C1 96111058 FOEWXEVDJMAWBB-CFVMTHIKSA-N 319.405 1.733 0 40 DDAB C[C@H]1CN(C)C[C@@]12COCCN(C(=O)Cc1ccccc1)C2 96202367 OSEWOEWBJMFAIH-MAUKXSAKSA-N 302.418 1.656 0 40 DDAB CCCS(=O)(=O)N1CCC2(CCN(c3ncccn3)CC2)C1 96062910 WULLMNWFTWMIRL-UHFFFAOYSA-N 324.450 1.509 0 40 DDAB O=C(CN(C[C@@H]1CCCO1)C(=O)C1CC=CC1)N1CCCC1 96443214 JELIOQOHDPNBAG-HNNXBMFYSA-N 306.406 1.583 0 40 DDAB O=C(Nc1cnn(CC(F)F)c1)c1cnn(-c2ccccc2)n1 96408613 YCDYZUXVHDAACJ-UHFFFAOYSA-N 318.287 1.981 0 40 DDAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cccc(N(C)C)c1 339026098 LAFBAODKGDGHBO-NSHDSACASA-N 314.407 1.626 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccoc3)CCO2)C1 96049742 XBPOMKALQUYXRW-INIZCTEOSA-N 308.378 1.231 0 40 DDAB CCCS(=O)(=O)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046343 ZGMQTOIJIXWVKH-FPMFFAJLSA-N 311.407 1.368 0 40 DDAB O=C(c1cccnc1)N1CCC2(C1)CN(C(=O)c1ccccn1)C2 96046469 RXJRONJJTPZOQR-UHFFFAOYSA-N 322.368 1.465 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@H](N(C)c3ncccn3)CO2)C1 96219844 FWQYTILDLTWPPA-BBRMVZONSA-N 319.409 1.264 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OC)C2 96039198 NKVKZHCWNIXOMM-PBHICJAKSA-N 320.389 1.748 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cnc(-c2ccccc2)nc1 96404911 NQCMBBPONABRTE-OAHLLOKOSA-N 324.384 1.740 0 40 DDAB Cn1ccnc1CN1CCO[C@H]2[C@@H]1CC[C@@H]2Cn1ccnc1 96082622 LTZMMCAFHJEVIP-IJEWVQPXSA-N 301.394 1.296 0 40 DDAB O=C(O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc(Br)cc2)N1 96300035 NCXSUUSJQUNXJK-MNOVXSKESA-N 322.162 1.861 0 40 DDAB CC(C)C[C@@H](CN(C)C)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 249076969 LWXRJAFCNWTYIP-IHRRRGAJSA-N 303.472 1.281 0 40 DDAB Cn1ccnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)c1=O 253420527 DMXMUGRYHFAMGJ-MRXNPFEDSA-N 319.792 1.618 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1nccs1 257339415 ZBPJNJLFHPEPTI-AWEZNQCLSA-N 303.391 1.170 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1CCCN[C@@H]1C 343509352 IHMCMCDPKVDPMJ-FMKPAKJESA-N 317.433 1.556 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)nc(C)n1 257277047 NWFYETVGEJACST-HNNXBMFYSA-N 304.394 1.089 0 40 DDAB Cc1cccc(N2CCC[C@@H](NC(=O)CCn3ccnc3)C2)n1 257260745 LEDOOUVBOSDYHK-OAHLLOKOSA-N 313.405 1.762 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCc2nc(-c3cccs3)no2)C1 41128766 JBGPMRDRJFDOED-SECBINFHSA-N 320.374 1.065 0 40 DDAB CC(C)c1nnc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)s1 575423585 OTSHGXZXDSSPEC-LLVKDONJSA-N 318.424 1.360 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1ccccc1F 585287751 DTAWHZBMKRMUMM-FMKPAKJESA-N 311.353 1.255 0 40 DDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2ccccc2)c1 64535833 LFRCAQWQWJYBPW-UHFFFAOYSA-N 318.398 1.666 0 40 DDAB CCOCCN1CCN(c2nn3cc(C)nc3s2)C[C@@H]1C 69740021 YCHSBDIJCQYTMW-LBPRGKRZSA-N 309.439 1.646 0 40 DDAB O=C(NCCCOCCO)c1c[nH]cc1-c1ccc(F)cc1 96003442 XYNYHDMJSHBUDJ-UHFFFAOYSA-N 306.337 1.950 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)CSc2ccc(F)cc2)C1 96365013 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Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)no1 38622124 BELXEYPKULTIQK-ZDUSSCGKSA-N 321.402 1.848 0 40 DDAB O=c1cc(CN2CCOCC2)nc2ccc(Br)cn12 23584582 WRFSJHQHTFXFNQ-UHFFFAOYSA-N 324.178 1.289 0 40 DDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 24685978 DFXOGIBTULWORU-LBPRGKRZSA-N 300.355 1.115 0 40 DDAB CCOC(=O)CCC(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1 238920563 TUBMNJHFAVUNQO-CYBMUJFWSA-N 306.362 1.713 0 40 DDAB CCN(C)S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)O)cc1 342436653 MEHZIUSEWFQVBD-JTQLQIEISA-N 300.380 1.873 0 40 DDAB CCn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 381690 XISMWLZQPOMASO-UHFFFAOYSA-N 300.318 1.246 0 40 DDAB O=C(Oc1cccc(Cn2ccc(=O)[nH]c2=O)c1)c1ccccc1 1442666 AMBDIDMAQIYWAO-UHFFFAOYSA-N 322.320 1.804 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 4359850 ATNCNDQPUGYLAV-MGPQQGTHSA-N 317.389 1.611 0 40 DDAB COC(=O)[C@@H](C)Sc1ccc2nnc(-c3cccnc3)n2n1 4327894 MKWPTILCYUURSY-SECBINFHSA-N 315.358 1.840 0 40 DDAB CS(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5339098 XXLZMUXKSVHYCK-UHFFFAOYSA-N 324.811 1.251 0 40 DDAB O=C(NCCCn1ncccc1=O)c1ccc(-n2cccc2)cc1 38517298 QKNXGNQRKKJWFD-UHFFFAOYSA-N 322.368 1.854 0 40 DDAB Cc1cnc(C(=O)NCc2nccnc2-c2ccncc2)cn1 585150664 UUKWGNHIGSVKIB-UHFFFAOYSA-N 306.329 1.567 0 40 DDAB CC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 386375 VNQPNLQTGGVMAK-LURJTMIESA-N 311.432 1.805 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1C[C@H](O)c1ccccc1 11238995 GUPNRVRMBJSDQN-ZDUSSCGKSA-N 303.339 1.565 0 40 DDAB NC(=O)c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)cc1 40555439 JKLCOASVHOFAPR-UHFFFAOYSA-N 317.780 1.980 0 40 DDAB COc1ccc(CC(=O)N2CCC(CC(N)=O)CC2)cc1OC 40542704 JPWDORAYNVOXJP-UHFFFAOYSA-N 320.389 1.360 0 40 DDAB CCOCCCNC(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1 31735883 RUYNGMKJFGCBHG-LLVKDONJSA-N 321.356 1.583 0 40 DDAB CN1CCN(NC(=O)Cn2nc(C(F)F)cc2C(F)F)CC1 2784677 HPNNBCZMAMHCIL-UHFFFAOYSA-N 323.294 1.037 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1=O 6436104 VANPHHLNAYJHEL-QJPTWQEYSA-N 323.393 1.127 0 40 DDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21 7360929 PBAIZVYEURLWHM-UHFFFAOYSA-N 323.399 1.853 0 40 DDAB COc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1F 7361191 VLCDFXRWCLEQOQ-UHFFFAOYSA-N 324.333 1.734 0 40 DDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccs1 46051222 RPCIBRXQNVLOOF-QWHCGFSZSA-N 310.419 1.215 0 40 DDAB CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 60348293 OGMILFBRWAEXQS-AWEZNQCLSA-N 310.419 1.532 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 32827205 KZHZMZNTFGTWET-WDEREUQCSA-N 314.407 1.838 0 40 DDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1cccs1 32825745 FARAHDUVEXJUAI-UHFFFAOYSA-N 320.399 1.807 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2c(F)cccc2F)C[C@H](C)O1 7981879 LJHICTWQWGIKGX-UWVGGRQHSA-N 313.300 1.757 0 40 DDAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCC1 21898492 SXAOGGAHCBXIOZ-LBPRGKRZSA-N 316.357 1.433 0 40 DDAB COc1ccc(C)cc1NC(=O)CSc1nc(O)nnc1C 11990596 HBBPWICXTGVHLU-UHFFFAOYSA-N 320.374 1.933 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1cccs1 102916483 UWBYMWKANXTZQN-BETUJISGSA-N 318.398 1.358 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)NCc2nccs2)c1 41594008 JXRBSUCTBOIBQQ-UHFFFAOYSA-N 314.388 1.639 0 40 DDAB CCNC(=O)CN(CC)C(=O)CCc1nc(C(C)(C)C)no1 41776105 MZBBVFUZQDYUFI-UHFFFAOYSA-N 310.398 1.284 0 40 DDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c1 100179207 FJVQRFUUMWYCNY-XUXIUFHCSA-N 313.309 1.306 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107263835 WTBRVGDFKNIPMQ-ARFHVFGLSA-N 301.390 1.340 0 40 DDAB C[C@H](NC(=O)Cn1cnnn1)c1cccc(Br)c1 42239946 WTNMQYPZQDKEML-QMMMGPOBSA-N 310.155 1.313 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NC[C@H]2CCCc3ccccc32)C1 46938544 WYQWWDWNZZDUKE-KGLIPLIRSA-N 301.390 1.623 0 40 DDAB CCn1nc(C(=O)/N=c2\cc[nH]n2CC)c2ccccc2c1=O 105073440 MOTVWZFZNDIXEI-QGOAFFKASA-N 311.345 1.307 0 40 DDAB CCOc1ncccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 42793803 NRETYWFGQMRHSD-UHFFFAOYSA-N 322.342 1.979 0 40 DDAB C[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)Cn1cccn1 47270777 HLUQZPNNHAWDCS-LBPRGKRZSA-N 316.361 1.747 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1cc(OC)c2c(c1)OCCO2 61661252 LUDYNIHUGDGDKM-GFCCVEGCSA-N 321.373 1.965 0 40 DDAB O=C(NCCNc1cnccn1)c1cc(Br)c[nH]1 47492527 AOWAEULDXYFWGI-UHFFFAOYSA-N 310.155 1.409 0 40 DDAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@H](c2cccc(Br)c2)N1 22107346 YPGQWOXJMNJVIU-QWRGUYRKSA-N 322.162 1.861 0 40 DDAB Cc1ccccc1OCCNC(=O)c1cnc2ccccn2c1=O 55955271 YELBKZBYJDGREG-UHFFFAOYSA-N 323.352 1.812 0 40 DDAB CC[C@H](C)NC(=O)CCNC(=O)NCc1ccccc1OC 56330937 AVKBFLHXXVJAOO-LBPRGKRZSA-N 307.394 1.799 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)c1cc[nH]n1)CC2 56462808 IPVBQUKYUXCCST-UHFFFAOYSA-N 301.346 1.668 0 40 DDAB CN(C)S(=O)(=O)NCc1cccc(N2CCCCC2=O)c1 57019927 QXRUQTQFLBNXJZ-UHFFFAOYSA-N 311.407 1.100 0 40 DDAB Cc1nnc(Sc2ccc3nnnn3n2)n1-c1ccccc1 12553188 DTZYPARDEPDEAV-UHFFFAOYSA-N 310.346 1.560 0 40 DDAB COCCn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O 44873495 PBZNGDYNNYFWPW-LBPRGKRZSA-N 313.357 1.481 0 40 DDAB O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccccc1 3111434 DHSOLSIBYMKSBG-CYBMUJFWSA-N 307.371 1.405 0 40 DDAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(C)(=O)=O)o1 2198786 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91558394 AAJMIXVGGAVVPJ-HNNXBMFYSA-N 316.386 1.765 0 40 DDAB N[C@@H](CCC(=O)NC(=O)c1cccc2ccccc12)C(=O)O 82048678 HBFLDCKOTCDLJS-ZDUSSCGKSA-N 300.314 1.288 0 40 DDAB COc1ccc(-c2noc(=O)n2Cc2cnn(C)c2)cc1OC 69582060 XULVPUQYYMLFRE-UHFFFAOYSA-N 316.317 1.302 0 40 DDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCCOC(C)C 6159878 ZIXJSOZGWPQLJK-OAHLLOKOSA-N 322.405 1.885 0 40 DDAB CCN1C[C@H](C(=O)N[C@@H]2CCCOc3ccccc32)CC1=O 69629706 BYPMOSWTQSOBQF-TZMCWYRMSA-N 302.374 1.885 0 40 DDAB COCCN(Cc1ccccc1)Cn1nc2ccccn2c1=O 69779609 PVONVSWFPDLDRV-UHFFFAOYSA-N 312.373 1.602 0 40 DDAB Cc1cc(C)n(-c2nc3ccccc3nc2N2CCNCC2)n1 4488695 JOXVPXFHRAAKSL-UHFFFAOYSA-N 308.389 1.842 0 40 DDAB CCN(C)CCNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 65437215 JRFYTJYLMPPGDD-UHFFFAOYSA-N 304.398 1.109 0 40 DDAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NC(N)=O 5381978 DPUQJBIMFBNQDU-JTQLQIEISA-N 317.345 1.617 0 40 DDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC(=O)CC1 14138973 JGHARVSLPBYUTM-LBPRGKRZSA-N 324.402 1.323 0 40 DDAB COc1cc(/C=C2\N=C(C)OC2=O)cc(OC)c1OC(C)=O 4812813 MGMFAWDKIPZJKC-WZUFQYTHSA-N 305.286 1.945 0 40 DDAB COc1cccc(-c2nnn(CC(=O)NCCC(C)C)n2)c1 15554830 RDYCUMZXGFQXOJ-UHFFFAOYSA-N 303.366 1.511 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCN(c2ncccn2)CC1 7264957 NMITXZDMGCTHNP-UHFFFAOYSA-N 300.337 1.507 0 40 DDAB Cc1cc(NC(=O)c2c(C)c(C)nn(C)c2=O)nc(C(C)C)n1 71799427 PKWJLPJSKRAEGD-UHFFFAOYSA-N 315.377 1.871 0 40 DDAB CSCc1cccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 71871055 SFACNCPOYSNZLD-CYBMUJFWSA-N 308.447 1.688 0 40 DDAB CC(C)OCC[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1 75610393 SGDPDAYCTWGXDZ-ZDUSSCGKSA-N 315.439 1.778 0 40 DDAB CCc1n[nH]c(=S)n1CCNC(=O)c1cccc(N(C)C)c1 76089070 WFNIWIOTEOIDPD-UHFFFAOYSA-N 319.434 1.999 0 40 DDAB CC[C@@H](C)C(=O)N1CCC(C(=O)NC[C@H]2CCCN2CC)CC1 72272947 JKXDVJBASRSYTG-GDBMZVCRSA-N 323.481 1.872 0 40 DDAB NC(=O)N1CCC(NCc2cc(Cl)cc3c2OCC3)CC1 97083938 HVBDUPTUAHGIQH-UHFFFAOYSA-N 309.797 1.908 0 40 DDAB Cc1nc(C[C@@H]2CCCN(c3cnnc(O)c3Cl)C2)no1 97047811 LGXQNCPVEJATRV-VIFPVBQESA-N 309.757 1.986 0 40 DDAB OCC[C@@]1(CNC2CCN(c3nccs3)CC2)CCOC1 97081083 HFDWTGYJRPLKGF-HNNXBMFYSA-N 311.451 1.491 0 40 DDAB CC[C@H](NC(=O)NCCN1C[C@H](C)O[C@H](C)C1)c1ccncc1 97010500 TUCYEPLGIWZENP-LZWOXQAQSA-N 320.437 1.941 0 40 DDAB O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1CCCn1ccnc1 97049951 VOZPKJITHKOTOY-SFHVURJKSA-N 324.384 1.753 0 40 DDAB C[C@@H](O)[C@@H](C)S(=O)(=O)Cc1nnc(-c2ccccc2)s1 97148198 XWYKVIVHGPRPLO-NXEZZACHSA-N 312.416 1.889 0 40 DDAB O=C(NCCCC(=O)N1CCc2ccccc21)[C@H]1CCCO1 78639211 WPLBDGCDSYFTDO-OAHLLOKOSA-N 302.374 1.651 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2ncc(C)o2)C1 95402377 ZMURDQAYEMVPRR-CYBMUJFWSA-N 319.365 1.297 0 40 DDAB Cn1nnc(-c2cccc(NC(=O)CCNc3ncccn3)c2)n1 95474003 BLCLNHLDVGFCII-UHFFFAOYSA-N 324.348 1.108 0 40 DDAB CCN1C[C@H](C(=O)N[C@H](c2nccc(C)n2)C2CC2)CC1=O 95450837 ZEHKLSJCTVEQIK-OCCSQVGLSA-N 302.378 1.221 0 40 DDAB O=S1(=O)CCC(O)(CNc2ncccc2C(F)(F)F)CC1 84927425 GMCPASNYDYQHFC-UHFFFAOYSA-N 324.324 1.452 0 40 DDAB C[C@H](C(=O)N1CCC[C@H]1c1noc(C2CC2)n1)n1cncn1 78881345 NNQVSHPCTQUQLD-KOLCDFICSA-N 302.338 1.463 0 40 DDAB CC(C)(C)[S@@](=O)CCNC(=O)NCCN1CCCCC1 78802772 ICCLZVYFHGBYJB-HXUWFJFHSA-N 303.472 1.319 0 40 DDAB Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)s1 88252778 DMBIDGLLUFWKTQ-UHFFFAOYSA-N 314.388 1.535 0 40 DDAB CCOc1ccc(CN(CCO)C2CCN(C)CC2)cc1OC 89267898 FDKJQJGPJQBPPC-UHFFFAOYSA-N 322.449 1.982 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)c(=O)[nH]1 75119019 FLJWSNYPSWZCDK-UHFFFAOYSA-N 312.373 1.036 0 40 DDAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(C)nc2C)N1 35939862 WRTBKTHQPYAHQP-DOTOQJQBSA-N 324.384 1.987 0 40 DDAB biogenic NC(=O)CCn1ccc(NC(=O)Nc2nc3c(s2)CCC3)n1 527329631 LRLWSCYJSBVDHT-UHFFFAOYSA-N 320.378 1.348 0 40 DDAB Cn1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1=O 70966116 NNUWTQDMTKQKME-GOSISDBHSA-N 312.369 1.413 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)[C@H]1C 529975097 IDJIKMBWVJTCAW-KIGUWFBYSA-N 317.389 1.972 0 40 DDAB O=C1CO[C@H]2CN(Cc3cccnc3)C[C@@H]2N1c1ccccc1 213615504 GPVLQNCPLKONCL-IRXDYDNUSA-N 309.369 1.698 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(CN)COC 218084858 KSHXAXZOAQSFCB-RBSFLKMASA-N 313.419 1.187 0 40 DDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)c(OC)c1 36076093 WNNOTLPMSAMPCD-JTQLQIEISA-N 301.364 1.113 0 40 DDAB Cc1ncsc1COC(=O)c1cccc(-n2cnnn2)c1 78554245 IXIUFICRFOJUFR-UHFFFAOYSA-N 301.331 1.784 0 40 DDAB CNc1ccc([C@@H]2CN(c3cc(C)nc(N)n3)CCO2)nc1 72388049 SMMQRWITQKYPOY-ZDUSSCGKSA-N 300.366 1.382 0 40 DDAB COc1ccc([C@H]2NC(=O)c3ccccc3-n3nnnc32)cc1 35615787 MLCUNDRCOSGYJK-CQSZACIVSA-N 307.313 1.504 0 40 DDAB CCc1oc(C(=O)OC)cc1CNC1(C(N)=O)CCCCC1 88545245 PDCPWSBEJMMVRN-UHFFFAOYSA-N 308.378 1.906 0 40 DDAB Cc1nc(NC(=S)NCCN2CCOCC2)ccc1Cl 223891592 RIYGCFKBRHMWHU-UHFFFAOYSA-N 314.842 1.662 0 40 DDAB COc1ccccc1N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 336870350 IYQVATUULICQIR-MRXNPFEDSA-N 315.417 1.581 0 40 DDAB CCc1cnc(CCNC(=O)c2cc(C)nc(NC)n2)s1 225560757 RAUIXABWYJJYPN-UHFFFAOYSA-N 305.407 1.818 0 40 DDAB CCS[C@@H]1CCCC[C@@H]1NCc1cc(=O)n(C)c(=O)n1C 195577394 QMTZQQPSNVDVJM-QWHCGFSZSA-N 311.451 1.238 0 40 DDAB CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(Cl)cc(F)c1N 225561707 ZKHXCDUUSHPQQR-ZETCQYMHSA-N 301.749 1.515 0 40 DDAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)O)cc1 40546196 DBKTYIOXFDBCLS-LBPRGKRZSA-N 306.318 1.944 0 40 DDAB CNC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1OC)C(C)C 195427778 UZSHEVCLCCCDFC-ZDUSSCGKSA-N 314.407 1.053 0 40 DDAB C1CCc2nnc(CNC3CCN(CC4CC4)CC3)n2CC1 95419383 SVJIDGGFMBSFJM-UHFFFAOYSA-N 303.454 1.969 0 40 DDAB CCn1ncc2c1CN(C(=O)c1cscn1)C[C@H]2COC 96044572 RLSWHXXYMIIIJD-JTQLQIEISA-N 306.391 1.746 0 40 DDAB O=C1C[C@@]2(CCN(c3nccs3)C2)CN1c1cncnc1 96077527 JGGQBRRQQNNLCV-CQSZACIVSA-N 301.375 1.567 0 40 DDAB CCOC[C@H]1CN(C(=O)N(C)C)Cc2nnn(CC3CC3)c21 96045631 DCRYUVFMZKYNPC-GFCCVEGCSA-N 307.398 1.305 0 40 DDAB CC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C)nn1C(C)(C)C 530929891 VVYSDZINASYGCI-NSHDSACASA-N 310.398 1.162 0 40 DDAB CNC(=O)[C@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 333887483 WGGSXTWLNWWKIS-AWEZNQCLSA-N 304.390 1.806 0 40 DDAB NC1CCN(c2nccn(Cc3cccc(F)c3)c2=O)CC1 96530575 SSZLVPLAOAUEOR-UHFFFAOYSA-N 302.353 1.358 0 40 DDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccoc1)C2 96058892 WJAHLOACWNYXDK-UHFFFAOYSA-N 301.350 1.009 0 40 DDAB CCN1CCC[C@H](CNC(=O)NCCc2ccncc2C)C1 96484564 JMSSBELZRKWZLN-OAHLLOKOSA-N 304.438 1.964 0 40 DDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(c2ncccn2)C3)n1 96111009 CMJQOQDAEGIUNY-CJNGLKHVSA-N 313.361 1.107 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 96057332 IYKHOZRQGCJVKE-KFWWJZLASA-N 324.446 1.633 0 40 DDAB COCCNc1ccnc([C@H]2COCCN2C2CCCC2)n1 96220541 ZKGMMHSFQUPEFY-CQSZACIVSA-N 306.410 1.851 0 40 DDAB COc1ccccc1CN1C[C@@H]2COC[C@]2(c2nnc(C)o2)C1 96209372 IUJZOVFRBXDGPQ-RHSMWYFYSA-N 315.373 1.787 0 40 DDAB O=C(c1ccoc1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96050801 LUCKAMPXDACIRN-KRWDZBQOSA-N 311.341 1.944 0 40 DDAB Cn1cnc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 96081091 PKOOMMRIXLCDPN-HZPDHXFCSA-N 310.401 1.624 0 40 DDAB COCC[C@H]1CCOC12CN(C(=O)c1ccc3c(c1)OCO3)C2 247888597 SJRSNHQUERMDLY-ZDUSSCGKSA-N 319.357 1.683 0 40 DDAB O=C(NCCc1cccs1)c1cc(N2CCOCC2)ncn1 245039097 OFAJJEMRIHXJSY-UHFFFAOYSA-N 318.402 1.347 0 40 DDAB CCOc1ccccc1CN1CC[C@H](O)[C@@H](NC(C)=O)CC1 257309514 UBFKVCLRKHAJQY-HOTGVXAUSA-N 306.406 1.547 0 40 DDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccnc1)C2 253382750 JDJBELLPDGFBPP-AWEZNQCLSA-N 310.419 1.107 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 257295872 RAFSNUMNHJZMCP-LBPRGKRZSA-N 314.393 1.347 0 40 DDAB O=C(CCc1cccnc1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257312301 UNHLEPBVOZKFIR-BFYDXBDKSA-N 303.406 1.118 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257205871 BAXQJSPDVZKUNX-LLVKDONJSA-N 315.333 1.302 0 40 DDAB C[C@@]1(CNC(=O)c2cnc(C3CCNCC3)cn2)CCCO1 257203642 AQZIXXYEFLHSPK-INIZCTEOSA-N 304.394 1.243 0 40 DDAB CN([C@H](C(=O)NC1CCCC1)c1ccccc1)S(C)(=O)=O 260815190 UDUHCANCSGAPMC-AWEZNQCLSA-N 310.419 1.678 0 40 DDAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccn1 90612485 SYGUBVWJGJGKIW-CYBMUJFWSA-N 300.314 1.664 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC(=O)NC1=O 89755961 RLAVVIQTSYDKLO-GZMMTYOYSA-N 310.737 1.029 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cccc3)C2)c1F 390826555 AKSHQCVPCCBQNE-GFCCVEGCSA-N 318.352 1.660 0 40 DDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CCC(=O)O)cc1 585274769 NJXDDNJVIJUYMQ-GJZGRUSLSA-N 305.374 1.754 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ncccc2C)C1 585278075 QGFYWVGJWCRSMT-KRWDZBQOSA-N 319.405 1.537 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2ccccn2)Cc2cccn2C1 585099243 YKVZHKWRDMJDRK-CYBMUJFWSA-N 312.373 1.291 0 40 DDAB O=C(NCCCn1cncn1)c1cccc(N2CCCC2=O)c1 41862766 LZVJLIDIYJUGJY-UHFFFAOYSA-N 313.361 1.225 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)Cn1nnnc1-c1ccccn1 66738350 WVDKTFWYJZSOCR-OAHLLOKOSA-N 324.388 1.228 0 40 DDAB CCC[C@H](C(=O)OCC)N1CCN(C(=O)[C@H]2CCCO2)CC1 69968982 GDNOZEHRVOFDRY-ZIAGYGMSSA-N 312.410 1.041 0 40 DDAB COCCN1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1 85467918 JKYBYARWINUAFR-UHFFFAOYSA-N 322.405 1.544 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1 96123331 GDZMQOQLRUJLMJ-UHFFFAOYSA-N 320.393 1.432 0 40 DDAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cnccn1 96998977 RKVYUETXBUCUMS-BQKNJBSGSA-N 322.368 1.884 0 40 DDAB C[C@@H]1CCCN(c2cc(N3CCS(=O)(=O)[C@H](C)C3)ncn2)C1 97378410 SGBFJYRVGRBUAG-CHWSQXEVSA-N 324.450 1.336 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 97230516 UDAQWEZGJLWXDN-LLVKDONJSA-N 320.817 1.993 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCc2ncc(Cl)cc2C1 13265602 JMFOOGQCCFJPGL-SECBINFHSA-N 314.794 1.054 0 40 DDAB CC(C)=CC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 239846375 LCTFLZJKXSFTJU-UHFFFAOYSA-N 316.405 1.470 0 40 DDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)C1CC1)CC3 13227973 VBZJWLBROJPFJS-UHFFFAOYSA-N 303.387 1.561 0 40 DDAB COc1ccc2nc(NC(=O)CCS(C)(=O)=O)sc2c1 31576299 TYVVYXYMJXFSOA-UHFFFAOYSA-N 314.388 1.678 0 40 DDAB Cc1n[nH]c(=NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)s1 1888946109 MSWXSDOWCXNJSW-UHFFFAOYSA-N 316.390 1.861 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@@H](N4CCCCC4)CS3)C2)c1 2056224526 UJVQOGLDPCXKDF-CYBMUJFWSA-N 320.462 1.606 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)c3conc3C)CC2)CN1C 1565542064 HVTGRGDVZNKXNL-CYBMUJFWSA-N 307.394 1.556 0 40 DDAB COc1ccc(-c2ccc3nnc(SCC(N)=O)n3n2)cc1 4376567 LQUCFCOMUZHSFP-UHFFFAOYSA-N 315.358 1.377 0 40 DDAB NC(=O)CN1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2086869132 WCQROZYBDGFIRR-ONGXEEELSA-N 314.311 1.096 0 40 DDAB C=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 35160155 QDJACPBTOIUWHM-UHFFFAOYSA-N 310.375 1.140 0 40 DDAB CNC(=O)NC(=O)CCN1CCCN(Cc2cccs2)CC1 30212979 QBNXFBNQGFDSKZ-UHFFFAOYSA-N 324.450 1.102 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=S)NC[C@@H]2CCCO2)C1 50252897 GAPYKFRGIIKXQC-STQMWFEESA-N 313.467 1.278 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 244923 ARYMJMHIJWUVSK-UHFFFAOYSA-N 316.338 1.679 0 40 DDAB NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 413213 JWMDWTNGALSSFE-UHFFFAOYSA-N 304.331 1.757 0 40 DDAB Cc1nc(N2CCN(CCO)CC2)c2oc3ccccc3c2n1 20440606 FWFZYZRZJTWKQL-UHFFFAOYSA-N 312.373 1.799 0 40 DDAB CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6266929 SABLHRSVQBRNDF-ZCFIWIBFSA-N 311.190 1.406 0 40 DDAB Cn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1=O 7843000 UUGMOFPFANMJHX-UHFFFAOYSA-N 313.235 1.931 0 40 DDAB COCCNC(=O)NC(=O)COc1ccc(Cl)c(Cl)c1 8719680 ZNNXUYSRYPZIAL-UHFFFAOYSA-N 321.160 1.844 0 40 DDAB Cc1occc1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 102306918 FOVQMZQHADEOLQ-XRRVDJEJSA-N 300.314 1.430 0 40 DDAB O[C@@H](CSc1nnnn1C[C@@H]1CCCO1)c1ccccc1 32814766 PUACYLXJEOTPPN-STQMWFEESA-N 306.391 1.678 0 40 DDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCO[C@@H]2CCC[C@H]21 53382957 INRLOFUUGHNSAT-HZPDHXFCSA-N 312.373 1.720 0 40 DDAB CCCNC(=O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 96500490 YVQJNCYMCDWQSW-QGZVFWFLSA-N 300.358 1.156 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N(C)Cc2cccc(F)c2)cn1 22658474 ANXCAXCKPWFXCP-UHFFFAOYSA-N 317.320 1.740 0 40 DDAB COc1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)cc1OC 53734020 JROMQSXGWGXEAT-UHFFFAOYSA-N 317.345 1.724 0 40 DDAB CCC(=O)Nc1ccc(O)c(C(=O)/N=c2/sccn2C)c1 53796125 AOENMTSXOVQYQO-JQIJEIRASA-N 305.359 1.882 0 40 DDAB COC(=O)CNC(=O)[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 22734236 YTYCWWNPMJBEKW-SECBINFHSA-N 307.375 1.641 0 40 DDAB C[C@@H]1CCC[C@@H](OCC(=O)NCCCn2ccccc2=O)C1 71903029 RNLKKICVCRNJDC-HUUCEWRRSA-N 306.406 1.950 0 40 DDAB COC(=O)C[C@@H]1CCCCN1C(=O)CCc1c(C)nn(C)c1C 71964129 RPBWGDOMSXJAMO-AWEZNQCLSA-N 321.421 1.914 0 40 DDAB O=C(NCCc1ccccn1)N[C@@H]1CCCc2[nH]c(=O)ccc21 47634811 HNZZDYOIFZFVIN-OAHLLOKOSA-N 312.373 1.689 0 40 DDAB Cn1cc(CCC(=O)N2CCN(Cc3ccccn3)CC2)cn1 54820377 CARMVPCIGYJBDP-UHFFFAOYSA-N 313.405 1.092 0 40 DDAB O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CCN1 25050559 MZYQOFXUINWVIF-UHFFFAOYSA-N 304.737 1.302 0 40 DDAB Cc1noc(C)c1CN1Cc2ccnn2C[C@H](C(=O)N(C)C)C1 104784667 LWFWRGBFYQTTBX-CYBMUJFWSA-N 317.393 1.208 0 40 DDAB CN1C[C@H](C(=O)NCCCOCCc2ccccc2)CC1=O 55784119 OUVHJMIAOZWPHT-OAHLLOKOSA-N 304.390 1.230 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100179781 YYWXQLYAGFRUQP-KXBVSSMTSA-N 309.321 1.973 0 40 DDAB CCn1cc(NC(=O)NC[C@](C)(CC)N2CCOCC2)cn1 43637141 NWQHUWNRRHZCJN-HNNXBMFYSA-N 309.414 1.525 0 40 DDAB COc1ccc(CCCNC(=O)NCCN2CCOCC2)cc1 56489101 CCYJGIRPMWYJFC-UHFFFAOYSA-N 321.421 1.259 0 40 DDAB C[C@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 27034217 NMDMAUJZYNTZNA-NEPJUHHUSA-N 317.389 1.679 0 40 DDAB O=S1(=O)CC[C@H](N(CCO)Cc2cccc(Cl)c2)C1 69776315 QNTLPLAEEAESLB-ZDUSSCGKSA-N 303.811 1.321 0 40 DDAB Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2cc(O)ccc12 2098214 VCBCBKLSZXVRIX-UHFFFAOYSA-N 319.313 1.331 0 40 DDAB biogenic COc1ccccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 58178247 WFGSQDRNKWENBE-AWEZNQCLSA-N 324.446 1.944 0 40 DDAB O=C(O)c1nccnc1C(=O)NCCc1c[nH]c2ccccc12 3277022 SSMAJXIUUJHXMF-UHFFFAOYSA-N 310.313 1.629 0 40 DDAB biogenic Cc1ccc(-n2nnnc2N2CCC[C@H](C(=O)N(C)C)C2)cc1 58209397 DYSKBLAKBDCIHE-ZDUSSCGKSA-N 314.393 1.275 0 40 DDAB C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 58266569 VWOFXHROPOUTOV-MQQKCMAXSA-N 320.414 1.876 0 40 DDAB Cc1cccc(CCNC(=O)c2ccnc(-n3cncn3)c2)c1 58332823 YCKUZWGGMDCRDD-UHFFFAOYSA-N 307.357 1.943 0 40 DDAB c1ccc(CN2CC[C@H](NC[C@@H]3CNc4ccnn4C3)C2)cc1 58308385 GCXVQXUBPIXJIC-SJORKVTESA-N 311.433 1.789 0 40 DDAB O=C(OCCn1cncn1)c1nn(-c2ccccc2)c2c1CCC2 58376888 RFXXRXXZTUEZMB-UHFFFAOYSA-N 323.356 1.810 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 2204360 FZNMSKOVKJFGGH-GFCCVEGCSA-N 322.386 1.424 0 40 DDAB CC(C)(C)CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 10875160 LYJCLJKXYTZFRU-UHFFFAOYSA-N 324.446 1.931 0 40 DDAB CCc1nn2c(=O)cc(CSc3nncs3)nc2s1 12741275 UCZJUYVNGSAONV-UHFFFAOYSA-N 311.417 1.857 0 40 DDAB CCN1CCN([C@H](C)CNc2nccc(C(F)(F)F)n2)CC1 59389429 QSJKSHCUOGGCSB-LLVKDONJSA-N 317.359 1.933 0 40 DDAB O[C@H](c1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 12892574 NJTYGHPJPWQTPZ-MRXNPFEDSA-N 310.361 1.469 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 8480818 HAMZBQKPPWMLFV-CQSZACIVSA-N 311.288 1.624 0 40 DDAB COC(=O)c1cccc(OCn2nnc3ccccc3c2=O)c1 16654532 XKVAFRPSYMTCQR-UHFFFAOYSA-N 311.297 1.615 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 70015650 VKMJRDCJGBTWSC-ZDUSSCGKSA-N 324.446 1.350 0 40 DDAB CCOC(=O)[C@@H](CSCC(=O)O)NC(=O)OC(C)(C)C 4013967 BGTFXDMIBSMDEY-MRVPVSSYSA-N 307.368 1.261 0 40 DDAB CC(C)(C)C(=O)NS(=O)(=O)c1c(Cl)nc2ccccn12 49514610 MDAJFSIBAYIMEL-UHFFFAOYSA-N 315.782 1.839 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 65390785 WYLZVWNNINMEII-KBPBESRZSA-N 320.368 1.719 0 40 DDAB COC(=O)c1ccc2c(=O)[nH]c(CC(=O)c3ccco3)nc2c1 69536075 FZLXQAGIRFMTKU-UHFFFAOYSA-N 312.281 1.728 0 40 DDAB C[C@@H](OC[C@H](O)CNC(=O)Nc1cn[nH]c1)c1ccccc1 65417796 MDTUENAUIXBKKJ-BXUZGUMPSA-N 304.350 1.670 0 40 DDAB CCO[C@H](C)C(=O)NS(=O)(=O)c1cccc2cc(C)cnc12 69595993 GSVSBSLPCXENHG-LLVKDONJSA-N 322.386 1.773 0 40 DDAB COCCNc1ccc(CNC(=O)NC2CCC(O)CC2)cc1 65518774 QBWJCHCOXZEFFV-UHFFFAOYSA-N 321.421 1.848 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)c1c[nH]c2ccccc12 14123385 UFCHTPIIIRRHAB-UHFFFAOYSA-N 311.385 1.905 0 40 DDAB Cc1ccccc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 14124918 SWXXABQOANGAGU-QGZVFWFLSA-N 323.396 1.846 0 40 DDAB CC(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 14230452 FSWSRFQZKACACI-QMMMGPOBSA-N 323.418 1.437 0 40 DDAB Cc1cc(S[C@H]2CS(=O)(=O)C[C@H]2O)nc(C(C)C)n1 14202104 ZISXBOLALCPOMH-ZJUUUORDSA-N 302.421 1.158 0 40 DDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccnc2)c1 14907163 NHGQFHVAAUHFDB-UHFFFAOYSA-N 305.359 1.584 0 40 DDAB O=C(Cc1coc2cc(O)ccc12)OCC(=O)N1CCCC1=O 4918696 XGROQQVBUBZXLT-UHFFFAOYSA-N 317.297 1.373 0 40 DDAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCCCCC2)c1 15272485 FCXATKIYTKQETL-UHFFFAOYSA-N 320.389 1.836 0 40 DDAB C[C@H](O)CNc1nc(Nc2ccc(F)cc2)c2n[nH]nc2n1 70655778 WVRSUYBBNWZNGN-ZETCQYMHSA-N 303.301 1.423 0 40 DDAB CCc1nncn1CCNC(=O)NC1(C)Cc2ccccc2C1 92285606 ZEPNOBIZICVHCU-UHFFFAOYSA-N 313.405 1.697 0 40 DDAB Cc1[nH]c(C(=O)OCC(=O)N(C)C)c(C)c1C(=O)OC(C)C 7413171 ZQQOJTRTXCWZKI-UHFFFAOYSA-N 310.350 1.442 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 83996781 DPLAKTJCHMEAET-HUUCEWRRSA-N 315.348 1.741 0 40 DDAB O=C(COC(=O)c1ccccc1O)NC(=O)Cc1ccccc1 9253568 GBLIECHJOUUTAB-UHFFFAOYSA-N 313.309 1.435 0 40 DDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1 89857974 JFBSPJAQNBBDSE-QGZVFWFLSA-N 324.340 1.841 0 40 DDAB Cn1cc(N2CCN(C/C=C/c3ccc(F)cc3)CC2=O)cn1 93530544 JZDVYOGPGOXAAP-NSCUHMNNSA-N 314.364 1.921 0 40 DDAB COC(=O)c1ccc(NC(=O)Cn2ccc(C)cc2=O)cc1 71513494 KJVOFBHVEICPCR-UHFFFAOYSA-N 300.314 1.582 0 40 DDAB C[C@@H](Oc1ccccc1F)C(=O)NCCCn1ncccc1=O 23241625 MXPZYPODYIRMAU-GFCCVEGCSA-N 319.336 1.356 0 40 DDAB CCCN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)OC 9870065 BDWFEWXARALASH-GFCCVEGCSA-N 306.387 1.962 0 40 DDAB C[C@@H](Cn1cccn1)NCC(=O)NCCOc1ccccc1 71879159 WNQWZJFCSMZXNV-AWEZNQCLSA-N 302.378 1.056 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)c1cc(C(N)=O)cs1)C2 72279901 GQOLNHZXTUMKPE-UHFFFAOYSA-N 319.390 1.218 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 72272152 CYWFTGUVUFYOIG-SNVBAGLBSA-N 306.288 1.411 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(CN2CCCC2=O)cc1 89938505 OYYIBMQXTOWTKX-CQSZACIVSA-N 315.417 1.585 0 40 DDAB CCc1ccc([C@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 72332956 KYDOCNVDSFDLJB-LBPRGKRZSA-N 323.356 1.894 0 40 DDAB CC1(C(=O)NCCCN2Cc3ccccc3C2)CCNCC1 97294546 AGFIOHFTHCKJDK-UHFFFAOYSA-N 301.434 1.898 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC)n2)no1 76044073 UNBBLHZDYVIFTF-NSHDSACASA-N 317.349 1.186 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)[C@H](C)N2CCCCCC2)c1C 95404269 PIFHXQVZVWLQFN-ZDUSSCGKSA-N 306.410 1.267 0 40 DDAB CN1CCN(C(=O)CSc2nc3ccccc3n2C)CC1 21742562 UUMJGVULCRCQNW-UHFFFAOYSA-N 304.419 1.439 0 40 DDAB CS(=O)(=O)Cc1cccc(C(=O)OC[C@H]2CCCCO2)c1 78427697 LVJBCIGMCXKFOI-CQSZACIVSA-N 312.387 1.957 0 40 DDAB CS(=O)(=O)C[C@H](NCC(=O)N1CCCCC1)c1ccccc1 95985963 YRGGGMSDESKSFH-HNNXBMFYSA-N 324.446 1.374 0 40 DDAB CC(C)(C)[C@@H](NC(=O)c1n[nH]c2ccccc2c1=O)C(=O)O 95970084 OMXODDOGBYQTFL-LBPRGKRZSA-N 303.318 1.152 0 40 DDAB Cc1cc(C(=O)O[C@@H](C)C(N)=O)nn1-c1ccc(F)cc1F 95972992 WCUIQPVOVOCDAY-QMMMGPOBSA-N 309.272 1.490 0 40 DDAB CC1CCN(C(=O)COc2ccc(C(=O)NCCO)cc2)CC1 78805347 FYYMMNAFPRUMPQ-UHFFFAOYSA-N 320.389 1.046 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(C)(C)C 75144073 WKAOUBAIUIWZLI-CYBMUJFWSA-N 320.345 1.335 0 40 DDAB COC(=O)CC1(NC(=O)c2sccc2C)CCN(C)CC1 79013355 BAXOKVXTJGWGLM-UHFFFAOYSA-N 310.419 1.814 0 40 DDAB C[C@H](NC(=O)Cn1c(=O)oc2cccnc21)c1cccs1 79062067 ADXRQJNOKVFUDW-VIFPVBQESA-N 303.343 1.928 0 40 DDAB CN1CCC(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 79854908 GQUATSQFCACHJD-CQSZACIVSA-N 307.398 1.278 0 40 DDAB CN1CCOC[C@@H]1C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 554085893 DDJQRDWDXIMGOH-MRVPVSSYSA-N 321.299 1.375 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)[C@H](C)CO1 36390277 XLOJWGVWSFFAIW-MGPQQGTHSA-N 304.394 1.329 0 40 DDAB O=C(NC[C@H]1CCN(C2CC2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 120235470 FZURSFZPKWBGOO-KGLIPLIRSA-N 319.449 1.378 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1c(F)cccc1Br 124040532 GWEKTKPJRTXEEP-ZJUUUORDSA-N 317.158 1.305 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)cc1 567796996 LAHJVWRJVVYBGD-ZDUSSCGKSA-N 311.359 1.184 0 40 DDAB O=C(NC[C@]1(O)CCSC1)[C@H]1CCCN1Cc1ccccc1 81999521 VUXHSEMOHCDVQZ-NVXWUHKLSA-N 320.458 1.635 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 225459481 GGUYPIUYJFOVBP-CYBMUJFWSA-N 314.345 1.157 0 40 DDAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3cncnc3)C[C@H]21 514290207 VUACSTZONMIZJY-ZBFHGGJFSA-N 310.357 1.194 0 40 DDAB biogenic,in-vitro CNC(=O)c1nc(CC(=O)Nc2cccc3ncccc23)no1 40286811 KOHIKQYTMDULGV-UHFFFAOYSA-N 311.301 1.159 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 136428381 PYZSZRYMHULCTF-IWDIQUIJSA-N 320.142 1.892 0 40 DDAB CCOC(=O)C1CCN(C(=O)CCC(=O)N(CC)CC)CC1 86964237 FJWUNOKTDZKCNW-UHFFFAOYSA-N 312.410 1.437 0 40 DDAB Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 85878594 ARJYINJNAIQBOL-OLZOCXBDSA-N 313.357 1.713 0 40 DDAB biogenic COCCNC(=O)C(C)(C)Oc1ccn(-c2ccccc2)n1 227159419 NXPQWWFBQWXENP-UHFFFAOYSA-N 303.362 1.792 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 96186464 WSZJKBYCTSCTPT-GJZGRUSLSA-N 324.384 1.830 0 40 DDAB O=C(c1ccncn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041597 KRTBMRSMHYRJKB-RRFJBIMHSA-N 303.362 1.275 0 40 DDAB Cc1ccc(N2CCC[C@H](NC(=O)Cn3cccn3)C2=O)cc1 96425890 STPOEXADGWWBPW-HNNXBMFYSA-N 312.373 1.503 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(c4nnc(C)s4)C[C@H]3O2)n1 96219225 QYBVCOZBEUIHOX-GARJFASQSA-N 307.379 1.374 0 40 DDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)C2CC2)C1 96244463 QSYCESZLEGBEOA-KRWDZBQOSA-N 316.405 1.261 0 40 DDAB Cn1ccnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)c1=O 97229949 QTYMQFVZEXQTSL-UHFFFAOYSA-N 313.357 1.585 0 40 DDAB CCN1CCc2cc(C(=O)NC)c(NCC3CC3)nc2CC1 96260557 FBZWDPTXUKMYEZ-UHFFFAOYSA-N 302.422 1.684 0 40 DDAB Cc1cc(Cl)ccc1C(=O)NC[C@@H](O)CN1CCOCC1 97229941 MDIRAVJYEIVRDQ-CYBMUJFWSA-N 312.797 1.071 0 40 DDAB Cn1cc(CN2CCc3ncnc(N4CCCC4)c3CC2)cn1 96255439 RUHUZLSJJZUNCT-UHFFFAOYSA-N 312.421 1.411 0 40 DDAB C1CC(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)CCO1 96045836 ZQIXWTWDZKGERW-FPMFFAJLSA-N 305.378 1.888 0 40 DDAB CC(C)c1ccc(NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1 96118551 CUEBIOFRUVJOKL-UHFFFAOYSA-N 302.334 1.153 0 40 DDAB Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CCNC2)c1 96499802 VWTJMEQUUMUBPY-VIFPVBQESA-N 319.224 1.398 0 40 DDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(c1ncccn1)C2 96039516 LHSWCDZUSWIOBT-RDJZCZTQSA-N 320.437 1.430 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(F)c1 96427704 RDUREEVPEABNRA-LBPRGKRZSA-N 312.410 1.897 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2cc(F)cc(F)c2)CCS1(=O)=O 96412824 SVBUJGWWVJCJIZ-BDAKNGLRSA-N 303.330 1.612 0 40 DDAB c1cnc(N2C[C@H]3CCN(CCN4CCCC4)C[C@H]3C2)nc1 96081475 OMEFJZXYQCKNDE-CVEARBPZSA-N 301.438 1.331 0 40 DDAB O=C(c1cccnc1)N1CCC2(CN(Cc3ccncc3)C2)C1 96046461 VULURNMITYJWGP-UHFFFAOYSA-N 308.385 1.825 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ocnc1C 257217454 CZASPLZSSYZBCQ-QDEZUTFSSA-N 317.389 1.987 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2ccc(Br)s2)C1 41129095 JGERZKNKQGCXOB-LURJTMIESA-N 303.181 1.458 0 40 DDAB Oc1nc(C2CCN([C@@H]3COC[C@@H]3O)CC2)cc2ccccc12 257298387 RLKPRAWXWOIAMP-SJORKVTESA-N 314.385 1.880 0 40 DDAB Cc1cncc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c1 257240603 HUGYCGBZRLQOAZ-BZUAXINKSA-N 303.406 1.498 0 40 DDAB CC(C)Oc1ccc(CNC(=O)C(=O)NCc2ccco2)cc1 298106784 NHYVCFKRTKIVER-UHFFFAOYSA-N 316.357 1.999 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)Cc1ccccc1Cl 585277297 HNRVFDPPLSZBPR-INIZCTEOSA-N 324.808 1.766 0 40 DDAB O=C1NCC[C@]12CN(Cc1ccc(CO)cc1)CC(F)(F)C2 585093213 JNNCDIVDSXICSM-HNNXBMFYSA-N 310.344 1.526 0 40 DDAB CCCC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@@H]1C 585096335 IUDKYQKWVPKVDS-LBPRGKRZSA-N 318.421 1.655 0 40 DDAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)C3(F)CC3)C2)C1=O 585106926 LHRGXPNRWVEYHN-YOEHRIQHSA-N 316.376 1.963 0 40 DDAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1ccccn1)C2 585107239 FTMLYABBSNQAFR-WMLDXEAASA-N 301.390 1.389 0 40 DDAB CO[C@@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1Cc1cccc(C)c1 585279962 UQGIHBGYWYVYPA-IAGOWNOFSA-N 318.417 1.537 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1c1cc(Cl)nc(N)n1 44979802 HJERZJHKGQRRNS-JTQLQIEISA-N 303.753 1.129 0 40 DDAB O=C(COc1ccccc1F)N1CCN(C[C@@H](O)C2CC2)CC1 85436652 DZVZZRSJYDIVMR-OAHLLOKOSA-N 322.380 1.120 0 40 DDAB CCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 104053005 NCRUHMQGKNBOAW-DTORHVGOSA-N 322.390 1.214 0 40 DDAB N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19332487 GPSRGHFZFVHXSO-AWEZNQCLSA-N 302.353 1.752 0 40 DDAB O=C(NCCc1nccs1)N1CCC(c2ccn[nH]2)CC1 158195325 KRBNEKXRXOMRDG-UHFFFAOYSA-N 305.407 1.998 0 40 DDAB COc1nccnc1N(C)CC1CCN(C[C@@H]2CCCO2)CC1 1888842693 ULSSSCOABSFOBT-HNNXBMFYSA-N 320.437 1.812 0 40 DDAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2Cc3ccccc3O2)no1 25263721 QEAYMSRGPZECRG-GWCFXTLKSA-N 316.313 1.857 0 40 DDAB COc1cc(=O)n2c(c1C(=O)NCCn1cccc1)CCC2 245053461 OVPBCZXMODXCFA-UHFFFAOYSA-N 301.346 1.035 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)C1(F)CCC1)C2 1614948099 VUHFONLOIHMMKY-ZDUSSCGKSA-N 318.414 1.295 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 1565547858 OQYQXKOCZQWHPC-AFHWFKKNSA-N 312.369 1.000 0 40 DDAB O=C(Cc1ccsc1)N1CCN(c2nccs2)C(=O)C1 1565523593 UATPQZLNNMNFAJ-UHFFFAOYSA-N 307.400 1.623 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cc[nH]c3)CC2)C1=O 1565544165 UCKCNVSMOPPCBO-KRWDZBQOSA-N 319.405 1.506 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)OCCO2 177327 RLQHKARIJHBUGY-CQSZACIVSA-N 318.329 1.649 0 40 DDAB CCCOc1ccc(N2C(=O)C[C@H](NCCCO)C2=O)cc1 1799627 VQBCGGUTKXQHKH-AWEZNQCLSA-N 306.362 1.079 0 40 DDAB CCOC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1C 9001748 IJRNKLBGEPUXMH-UHFFFAOYSA-N 308.363 1.922 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)Cc3cccs3)C2)nn1 585149676 KPXCAIXVDCRJJR-LBPRGKRZSA-N 306.391 1.502 0 40 DDAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccno1 244975211 IGQSGTTWIZPFMM-CQSZACIVSA-N 304.327 1.995 0 40 DDAB CCc1ncnc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)c1F 2298029951 GXGFXOKTHKFEOD-GFCCVEGCSA-N 318.400 1.622 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19017156 VORSYODDSHYGML-AWEZNQCLSA-N 316.336 1.787 0 40 DDAB COCCN(Cc1cccs1)C(=O)c1ccn(C)c(=O)c1 40496717 CJTQILHMILCKEN-UHFFFAOYSA-N 306.387 1.736 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)[C@H](C)CO1 45449410 KNRNSZUJFURTEZ-NEPJUHHUSA-N 316.361 1.700 0 40 DDAB COC(=O)c1ccc(CSc2nnc(C3CC3)n2N)cc1 8011122 YZJVQMQDTBEYNV-UHFFFAOYSA-N 304.375 1.948 0 40 DDAB CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCCCNC2=O)n1 40522099 URKSAUXWIDZSAZ-SNVBAGLBSA-N 308.382 1.085 0 40 DDAB COC[C@@H](C)N(C)C(=O)CCn1cnc2c(C)cccc2c1=O 40553969 WHOVEFROQIOUSF-CYBMUJFWSA-N 317.389 1.588 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(C)C1)CC2 40506214 OQMTVWFCVMKTKQ-ZDUSSCGKSA-N 318.373 1.067 0 40 DDAB CC[C@](C)(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1 40529014 GXCIKHOGQTUNTN-QGZVFWFLSA-N 317.389 1.191 0 40 DDAB Cn1cc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cn1 40540908 HGCBNRFHCSNIHJ-UHFFFAOYSA-N 311.345 1.537 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)c1ccc(F)cc1F 51280984 PRMFRUQSQWKRHM-STQMWFEESA-N 310.300 1.815 0 40 DDAB CN(C)c1cccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1 3399928 UGARFCTUSICHQV-UHFFFAOYSA-N 321.377 1.534 0 40 DDAB Cc1cc(C)nc(SCc2nnc(SCC(N)=O)o2)n1 4130283 MYQSIBSMLHCBPN-UHFFFAOYSA-N 311.392 1.346 0 40 DDAB O=C(O)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 4976592 BDEVLSXGLJXRMU-LCYFTJDESA-N 314.297 1.251 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 52051137 RZYRCCBYSGECAQ-UHFFFAOYSA-N 321.402 1.275 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CC(=O)N(C(C)C)C1 32816053 PQKBTKDFSWFKDU-LBPRGKRZSA-N 311.426 1.007 0 40 DDAB CCc1ccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)o1 71915382 JUCGCVFWHFVJGK-QMMMGPOBSA-N 304.268 1.735 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 9322706 RVROOEZOFNXKKH-UHFFFAOYSA-N 320.370 1.389 0 40 DDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCc2ccccc21 42242032 QFVIPJHZZKQXAF-HIFRSBDPSA-N 315.417 1.552 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC(c2ccn[nH]2)CC1 104100746 BOUNXHXEYOEZOA-XDJHFCHBSA-N 316.409 1.256 0 40 DDAB COc1ccc2c3c1O[C@@]1(C)[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]341 100393604 OMGSJARTUSJECS-OIWPKRNSSA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@H]1C[C@@H]1C 23892992 SCDVDSPQRGNHJX-FZMZJTMJSA-N 317.389 1.619 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CCCO1 106066821 LEKJBGVSONDVDX-YDHLFZDLSA-N 317.389 1.114 0 40 DDAB CC(=O)N1CCc2cc(C(=O)NC[C@H]3CCCOC3)ccc21 55923365 AGBVVEMPWRMRFC-CYBMUJFWSA-N 302.374 1.752 0 40 DDAB CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C)on1 12554814 QBUIAUCACVRJJZ-SSDOTTSWSA-N 308.367 1.447 0 40 DDAB O=C(NCCS(=O)(=O)c1ccccc1)NCc1ccccc1 56328627 NFPJZUYLFBUIEH-UHFFFAOYSA-N 318.398 1.960 0 40 DDAB O=C(c1cnccn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721014 RFIIEGARHYANJZ-SOUVJXGZSA-N 303.362 1.275 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 63526860 SKXSKLVLSIALGI-IYBDPMFKSA-N 308.385 1.681 0 40 DDAB O=C(NCCn1ccnc1)NC[C@@H](O)c1cccc(Cl)c1 44966618 LWMXPOLJDOBVRJ-CYBMUJFWSA-N 308.769 1.569 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@@H]1CCOC1 44970541 IKCMZWVBMJRFJN-AWEZNQCLSA-N 300.362 1.708 0 40 DDAB CCc1c(C(=O)N2CCNC(=O)C2)cnn1-c1ccc(F)cc1 44909119 NODRSMRGPWIVCB-UHFFFAOYSA-N 316.336 1.146 0 40 DDAB CC(C)OCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 62108638 NNTZTZIZXWREPA-UHFFFAOYSA-N 318.373 1.604 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(N(C)C)c1 3347775 RMWUGFIULDOJFH-JTQLQIEISA-N 307.350 1.144 0 40 DDAB COC(=O)c1ccc(NCCOc2ccc3c(c2)OCO3)nn1 48237523 IYBJWFZQZJSYDJ-UHFFFAOYSA-N 317.301 1.483 0 40 DDAB O=C(Cn1nnn(-c2cccs2)c1=O)c1ccccc1F 48302179 VBNYPIUHRIVPQD-UHFFFAOYSA-N 304.306 1.513 0 40 DDAB O=C(Cn1nnc2ccccc21)NCCc1ccc2c(c1)OCO2 12901714 KZAQCBYJUNAPAS-UHFFFAOYSA-N 324.340 1.519 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@H]1C1OCCO1 69292844 BYCSFYDKLNSXIR-RYUDHWBXSA-N 322.361 1.152 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1C[C@@H](C)C[C@@H](C)C1 13112379 RNCIQIQTBVEBKB-TXEJJXNPSA-N 320.389 1.677 0 40 DDAB CC(C)CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 3886322 CEQIAZJXNKAVAP-UHFFFAOYSA-N 312.373 1.981 0 40 DDAB COc1ccc(CCNC(=N)NCc2nnc3ccccn23)cc1 69350366 FFIMAYSPOQHOLE-UHFFFAOYSA-N 324.388 1.595 0 40 DDAB CCCCn1c(N)c(N(CC)C(=O)c2ccco2)c(=O)[nH]c1=O 8392742 YHKSAPCKQTZQQJ-UHFFFAOYSA-N 320.349 1.179 0 40 DDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1CCCNC1=O 64099042 MQQGYOYDEANSER-NSHDSACASA-N 304.394 1.524 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 6084999 QUTXHBCTKQMUFC-OAHLLOKOSA-N 323.299 1.624 0 40 DDAB CC(=O)Oc1cccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c1 6074037 YOSIJNBQKPEPKG-JTQLQIEISA-N 307.331 1.107 0 40 DDAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(N)=O 6124290 VTWVYHXHIYMMKG-SNVBAGLBSA-N 321.329 1.228 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2cnccc2N)CC1 82314736 SAHJFCHHLWTYJU-UHFFFAOYSA-N 312.373 1.635 0 40 DDAB COc1cccc(CNCCNC(=O)c2ccco2)c1OC 4498097 RUYPISJXDDVZKK-UHFFFAOYSA-N 304.346 1.816 0 40 DDAB COC(=O)[C@](C)(NC(=O)[C@H](C)OC)c1cc(F)ccc1F 69702672 VTZPWWNGMKKRDX-RMLUDKJBSA-N 301.289 1.504 0 40 DDAB COc1cc(C(=O)N2C[C@@H](C)OC[C@H]2C)cc2c1OCCO2 65434702 DNIHWOXSTWTMRZ-GHMZBOCLSA-N 307.346 1.716 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 65452332 QOBPZUUCRDNDDO-CQSZACIVSA-N 324.384 1.997 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cnccn2)C1 17823158 IYDOILMKULVESH-ZDUSSCGKSA-N 310.357 1.968 0 40 DDAB COC(=O)CNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 14165562 PCODGLGGYOFDDZ-UHFFFAOYSA-N 317.341 1.632 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(-n2cnnn2)cc1 5459611 JQOOPNFWCFLPJH-STQMWFEESA-N 315.377 1.831 0 40 DDAB Cc1nc(N)nn1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 69874513 JLLCLMPUOCPNRU-UHFFFAOYSA-N 316.317 1.243 0 40 DDAB CCN(Cc1cccc(F)c1)C(=O)CNC[C@H]1CN(C)CCO1 69926415 BOXDQTSOOKCOCB-INIZCTEOSA-N 323.412 1.094 0 40 DDAB CN1C(=O)C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O 8779772 QGNGDIVGNWNSLQ-CYBMUJFWSA-N 307.781 1.219 0 40 DDAB Cc1cc(C(=O)Nc2cc(C)on2)nc(N2CCOCC2)n1 71195523 NCYJNKHAHOGZJE-UHFFFAOYSA-N 303.322 1.170 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)O 9341806 WPEAKTAHSBZMQO-UWVGGRQHSA-N 300.355 1.223 0 40 DDAB CC(C)N1C[C@@H]2[C@H](OCc3cccnc3)CCS(=O)(=O)[C@H]2C1 306127723 GFOKYEMGPMGZIB-OAGGEKHMSA-N 324.446 1.494 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)c2cccc(Cl)n2)CC1 96405913 UBSODRQJTIDBDO-CYBMUJFWSA-N 324.856 1.738 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 71837312 OWMDJGWLSUYLJU-CABCVRRESA-N 319.380 1.979 0 40 DDAB CN(C)C1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 71824105 MURUZUXMHPUVBS-CQSZACIVSA-N 317.437 1.246 0 40 DDAB COC(=O)C1(NC(=O)C(=O)c2c(C)nn(C)c2C)CCCCC1 84008630 WCQYKAOKECRKNI-UHFFFAOYSA-N 321.377 1.212 0 40 DDAB COCCS(=O)(=O)N[C@H](c1ccc(OC)cc1)C(C)C 72230446 OMRKFNWPEKIQRV-AWEZNQCLSA-N 301.408 1.958 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1 72235294 PJYFPGMRZCRQBF-ZDUSSCGKSA-N 319.365 1.434 0 40 DDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 97050634 JZWNMWPUGULREX-HPEDKQMDSA-N 308.422 1.347 0 40 DDAB Cc1c(C(=O)OC2CCN(C=O)CC2)cnn1-c1ccccc1 97049121 DNOVBELMZAXOQY-UHFFFAOYSA-N 313.357 1.958 0 40 DDAB Cc1ccc(C[C@@H](CNC(=O)c2ncoc2C)C(=O)O)cc1 97036038 ZTYLGRJGFRMNAK-ZDUSSCGKSA-N 302.330 1.965 0 40 DDAB CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 97079829 SKRVCLXUBRNBCE-VXGBXAGGSA-N 308.353 1.374 0 40 DDAB CCc1cc(C(=O)OCc2ccnc(-n3ccnc3)c2)cc(=O)[nH]1 97113073 AORFGZSTCROFIO-UHFFFAOYSA-N 324.340 1.875 0 40 DDAB O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccncc1 89963000 OJIBDRNPHUYGMQ-IAGOWNOFSA-N 311.385 1.447 0 40 DDAB COc1cccc2cc([C@H](C)NC(=O)[C@@H]3CNC(=O)N3)oc12 89904622 QGAGGSXZRQATNI-WPRPVWTQSA-N 303.318 1.300 0 40 DDAB Clc1ccc(CN2CCN(C[C@@H]3COCCO3)CC2)s1 75611487 JEXVBSDXQOOPFY-GFCCVEGCSA-N 316.854 1.935 0 40 DDAB CN(C)c1nccc(NC(=O)Cc2cn3ccsc3n2)n1 76040876 XUQRYKORILJTOE-UHFFFAOYSA-N 302.363 1.433 0 40 DDAB C[C@@H](CC(=O)N(C)CCS(C)(=O)=O)c1ccc(F)cc1F 95433630 WLRGSTPBVZIZGM-JTQLQIEISA-N 319.373 1.961 0 40 DDAB Cc1cc(=O)[nH]c(CN(C)CC(=O)Nc2cccc(F)c2)n1 95416406 MCZFMTGMGQEFSL-UHFFFAOYSA-N 304.325 1.288 0 40 DDAB CCc1sc([C@@H](C)NC(=O)CNS(C)(=O)=O)cc1C 95435406 REOWSORLWPJYJL-SECBINFHSA-N 304.437 1.345 0 40 DDAB CCOc1cc(Cl)ccc1CNC(=O)[C@H]1CN(C)CCO1 95434617 NDCMBVNFNXKTRS-CQSZACIVSA-N 312.797 1.686 0 40 DDAB CCC(CC)(Cn1c(=O)[nH]c2ccccc2c1=O)S(C)(=O)=O 95434998 SNWUPTSUSNOHFT-UHFFFAOYSA-N 324.402 1.293 0 40 DDAB CCN1C[C@H](C(=O)N[C@@H](c2nccc(C)n2)C2CC2)CC1=O 95450835 ZEHKLSJCTVEQIK-TZMCWYRMSA-N 302.378 1.221 0 40 DDAB COC[C@@H]1CN(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CCO1 95404482 FIPVQBQWJIDJJH-FPMFFAJLSA-N 308.378 1.960 0 40 DDAB CCCn1nnnc1Cn1nc(C)c([C@@H](C)C(=O)OC)c1C 95431590 WSTGTUGOTOECJP-SECBINFHSA-N 306.370 1.221 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1N(C)C 76056696 CTAUVSVKVNEQNJ-TZMCWYRMSA-N 302.378 1.547 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1cc2cc(F)ccc2s1 88374682 KCCGQWBQDYKTHF-SNVBAGLBSA-N 309.318 1.966 0 40 DDAB C[C@](CO)(NC(=O)NCCCn1cccn1)C1CCCCC1 88482473 QSKACHKGXDNRIU-MRXNPFEDSA-N 308.426 1.904 0 40 DDAB C[C@@H](NC(=O)c1nccnc1N)c1cccc(-n2cccn2)c1 74037062 SUWPCKSUILZBFM-LLVKDONJSA-N 308.345 1.736 0 40 DDAB COc1ccc2cc(C(=O)NC(C)(C)C(=O)N(C)C)[nH]c2c1 95953597 AGNPGYVPMWYXFT-UHFFFAOYSA-N 303.362 1.773 0 40 DDAB CNc1cccc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 72364564 CMNXRRVAGLJGOX-NSHDSACASA-N 321.406 1.415 0 40 DDAB CC[C@@H](NCC1(c2ccc(OC)cc2)CCOCC1)C(N)=O 79029849 MPQIPHPCZZGAKB-OAHLLOKOSA-N 306.406 1.597 0 40 DDAB COC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218537138 BVEMMXPFHBPUFB-GMXVVIOVSA-N 317.407 1.255 0 40 DDAB CCCOC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 72347641 FJZGGVSOLUUNQA-UHFFFAOYSA-N 318.373 1.554 0 40 DDAB Cc1cc(CC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)no1 195551029 FCOVZYHOWSQFPP-ZDUSSCGKSA-N 306.293 1.997 0 40 DDAB CN(C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223046507 DIYOQIRGUDEEJT-UHFFFAOYSA-N 302.371 1.460 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccco3)C2)n1 225400450 LANMMLAXYHGWIK-NSHDSACASA-N 302.334 1.429 0 40 DDAB COc1ccc(OCC(=O)Nc2nn3c(C)nnc3s2)cc1 41076414 ZFJGFKGNOZHBQT-UHFFFAOYSA-N 319.346 1.520 0 40 DDAB C[C@H](CO)NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 41382630 RSWAXEAUECWLGS-MRVPVSSYSA-N 303.318 1.141 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CCO1 49864789 QLFFSIYQKKHNDD-SNVBAGLBSA-N 309.318 1.966 0 40 DDAB CS(=O)(=O)[C@H]1CCCC[C@@H]1NCC1(CO)CC2(CCC2)C1 330336626 SOPCHAOQTIILBL-KBPBESRZSA-N 315.479 1.875 0 40 DDAB COCCn1c2c(ccc1=O)C[C@@H](NCc1nccs1)CC2 96059345 CJPMVKAZSQRWHK-ZDUSSCGKSA-N 319.430 1.598 0 40 DDAB Cn1cccc1C(=O)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96080689 KFUJUHZIJBKVHU-ZFWWWQNUSA-N 309.369 1.760 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 96226920 ISAFPVYYHTXCGD-YOEHRIQHSA-N 314.389 1.948 0 40 DDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N(C)C)C2)c1 96206196 PGYGJJBTACXNMV-AEFFLSMTSA-N 302.418 1.922 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C)s1 96408564 XXAHQHPOGYWKQS-JTQLQIEISA-N 302.421 1.129 0 40 DDAB C[C@H](Cn1cncn1)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 96497182 BGVBGLSEVHRDJI-CHWSQXEVSA-N 309.414 1.656 0 40 DDAB C[C@H](O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 96494415 WYCLUUHABSWVSD-VHSXEESVSA-N 313.195 1.525 0 40 DDAB COCC[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1F 178738231 BILMTHXKUFNGCW-LBPRGKRZSA-N 309.334 1.031 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cccnc1 96060559 DANWIWQDKIHYCS-INIZCTEOSA-N 313.405 1.829 0 40 DDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@H]2OC 96110977 ZYZGPGZVVDESIP-RRFJBIMHSA-N 324.446 1.556 0 40 DDAB Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncccn1 96041900 VXVLJEIZMIAZLM-BFHYXJOUSA-N 316.336 1.826 0 40 DDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(CC1CC1)C2 96060793 YTDFSODWJNZIRF-AWEZNQCLSA-N 313.405 1.736 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1 257262321 LKXSUZNJSQIVKE-INIZCTEOSA-N 311.389 1.911 0 40 DDAB O=C(Cn1ccnc1)N1CCC2(CC(Nc3ccncn3)C2)C1 257313483 USROQQIXSKRPOA-UHFFFAOYSA-N 312.377 1.166 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc(F)c(Cl)c2)CCO1 257214915 CNYPCOXRNRYEJA-CQSZACIVSA-N 314.744 1.456 0 40 DDAB Nc1nccnc1[C@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 257239302 HOSFNBIZLLZJLK-GFCCVEGCSA-N 320.393 1.044 0 40 DDAB Cc1cccc(N2CCC[C@@H](N(C)CC(=O)N3CCCC3)C2)n1 257301909 SALXLKLGRVOECW-MRXNPFEDSA-N 316.449 1.913 0 40 DDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1 253478789 NCPLDYHFVINKGL-CYBMUJFWSA-N 313.361 1.392 0 40 DDAB CCCc1nnsc1C(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 257289953 QAWVOSGNTPTLJX-NSHDSACASA-N 321.406 1.736 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)no1 252491923 LZPYXEIMWFTKFG-QMMMGPOBSA-N 323.330 1.503 0 40 DDAB Oc1cc(C[C@H]2COCCN(Cc3ncccc3F)C2)ncn1 257314598 UXRBCPQRVBFVCZ-GFCCVEGCSA-N 318.352 1.407 0 40 DDAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2ccnc(O)n2)C1 257302172 SBUHXTBZASXIQO-LBPRGKRZSA-N 319.386 1.751 0 40 DDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)C1CC1 257323462 WKGDJFOXPNAIKS-MRXNPFEDSA-N 307.369 1.420 0 40 DDAB CCc1nccn1CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257250138 JLDWZWILSQWBBB-HUUCEWRRSA-N 315.373 1.096 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2ccccc2C(=O)O)CCO1 257319813 VUEHVZGFDKXSSQ-INIZCTEOSA-N 306.362 1.064 0 40 DDAB CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C)nn2)CC1 96119403 KZJYFUANGNFMCJ-UHFFFAOYSA-N 321.377 1.498 0 40 DDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1cc[nH]n1 585110667 YLLNPTNZMVGTHG-ZDUSSCGKSA-N 312.373 1.269 0 40 DDAB CO[C@@]1(COc2ccc(C)cc2)CCCN(S(C)(=O)=O)C1 585275173 YVAUQATXPMYKPH-HNNXBMFYSA-N 313.419 1.814 0 40 DDAB COc1c(CNC[C@H](C(C)C)N2CCN(C)CC2)c(C)nn1C 58304933 IBBBHZNFDAARRI-MRXNPFEDSA-N 323.485 1.099 0 40 DDAB CC(C)(C)c1nc(CN2CCC[C@@H](Cn3cncn3)C2)no1 69771449 YEAAYNWPQNNTIF-GFCCVEGCSA-N 304.398 1.871 0 40 DDAB Cc1cnc(C[C@H]2COCCN(C(=O)c3coc(C)n3)C2)cn1 72388253 PJNPIXSSLCBUTE-CYBMUJFWSA-N 316.361 1.413 0 40 DDAB Cc1nc(NS(=O)(=O)c2ccccc2Br)no1 95994092 LYNXTKXFTGSFGG-UHFFFAOYSA-N 318.152 1.941 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)CCO 133373172 WPJBZRDEDNVZJW-SECBINFHSA-N 322.224 1.807 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC(Oc2nccs2)C1 206922308 NEHSEOSPJMSMQM-UHFFFAOYSA-N 302.421 1.869 0 40 DDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCc2ccccc21 12694447 PWXMCSZKVVEDTR-KBPBESRZSA-N 310.353 1.527 0 40 DDAB CC(=O)N1C[C@@H](C(=O)Nc2ccn(C)n2)Oc2ccccc21 14899615 PHNCRKYGAYKFPS-ZDUSSCGKSA-N 300.318 1.173 0 40 DDAB O=c1[nH]cnc(NC2CCCC2)c1I 162145670 ZCSREFNKLWPPQL-UHFFFAOYSA-N 305.119 1.729 0 40 DDAB COc1cc(=O)n2c(c1C(=O)N1CCC(F)(F)CC1)CCC2 245174468 YNUPOSMEDRDQQX-UHFFFAOYSA-N 312.316 1.674 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)nn1C(C)C 572949905 FJHFPZUKCGUEPO-OBJOEFQTSA-N 304.394 1.498 0 40 DDAB CNC(=O)[C@H]1CN(C)CCN(Cc2ccc3ccccc3n2)C1 1848356814 UKNRCAUVUXLMKN-HNNXBMFYSA-N 312.417 1.344 0 40 DDAB O=C(NCc1ccc(F)cc1)NCC1(N2CCOCC2)CCC1 1776008307 CIAZGOQDRPXTES-UHFFFAOYSA-N 321.396 1.880 0 40 DDAB CC(C)(O)CC(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223353 HHGMXHFRIBZQCB-GJZGRUSLSA-N 310.438 1.249 0 40 DDAB COCCN1CCC[C@]12CCCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1565551906 XCEXZKYVTWXDBT-LHHMISFZSA-N 322.449 1.372 0 40 DDAB COCc1cncc2c1CCN(C(=O)c1ncc(Cl)cn1)C2 1565553096 KIPAHZDKIHGXCD-UHFFFAOYSA-N 318.764 1.870 0 40 DDAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccco1 10251324 HNRKAVGRRGTAKG-UHFFFAOYSA-N 321.296 1.559 0 40 DDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CC2CC2)C1 2055747273 RZSKSUXLRQRQME-KRWDZBQOSA-N 319.380 1.755 0 40 DDAB Cc1ccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)cn1 2055772177 DIFNYJLFDMTDMX-UHFFFAOYSA-N 313.405 1.347 0 40 DDAB O=C(NCC1CCN(C2CCCC2)CC1)C(=O)Nc1ccon1 23127382 JDYZHHDCFNRBCW-UHFFFAOYSA-N 320.393 1.384 0 40 DDAB Cc1cc(OC2CN(C(=O)c3cc(C4CC4)on3)C2)cc(=O)o1 206958708 RIADOAGRKXUAHJ-UHFFFAOYSA-N 316.313 1.717 0 40 DDAB COC1CCN(C2CN(C(=O)NCc3cccs3)C2)CC1 575609893 AERCAKLEHLIITF-UHFFFAOYSA-N 309.435 1.753 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CCn2nccc2C1 390826894 QUGUOOVBBSMEGB-NSHDSACASA-N 300.318 1.748 0 40 DDAB CCN1C(=O)C[C@H](C(=O)NC)[C@H]1c1ccc(OC)cc1OC 26496216 SNPVIQKGQCLQJF-SWLSCSKDSA-N 306.362 1.359 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F 30287757 LAVBWDREWFHVLC-UWVGGRQHSA-N 303.355 1.632 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1C 40108697 NZVSKYDCFKMVMH-UHFFFAOYSA-N 318.373 1.933 0 40 DDAB CCOC(=O)N1CCN(CCOc2ccccc2OC)CC1 20170726 FLTYJMMPRDDMEY-UHFFFAOYSA-N 308.378 1.848 0 40 DDAB Cc1cc(C)cc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1 132212 PJEMQZFZUIUCFE-UHFFFAOYSA-N 320.776 1.959 0 40 DDAB Cc1cnc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cn1 31259071 VIIGQKTTXIBGCK-UHFFFAOYSA-N 317.418 1.508 0 40 DDAB C[C@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)C[C@H](C)O1 40486030 NUGZYKULGNKKKX-STQMWFEESA-N 317.389 1.366 0 40 DDAB CON(C)C(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 40487756 RJHLQFWPWDMJIN-UHFFFAOYSA-N 317.271 1.322 0 40 DDAB Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1 34184 YOGFVGBUYIWYKO-UHFFFAOYSA-N 307.313 1.635 0 40 DDAB O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccccc1 108631 VCTBVFMKUZLYGD-UHFFFAOYSA-N 311.320 1.796 0 40 DDAB CCc1nn(C)cc1C(=O)NCCc1cccc(C(=O)NC)c1 92467157 YENOPJXYCZPZOF-UHFFFAOYSA-N 314.389 1.315 0 40 DDAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 31610558 BBXFXJXEUMLJMG-NSHDSACASA-N 321.402 1.141 0 40 DDAB COc1cccc(NC(=O)NC[C@H](O)CN2CCCCC2)c1 40525332 DAFHWOGUEGQMBS-AWEZNQCLSA-N 307.394 1.664 0 40 DDAB Nc1nc(N)c2nc(Sc3ccc(F)cc3)c(N)nc2n1 1587010 XJSTZSPTKLKPHT-UHFFFAOYSA-N 303.326 1.457 0 40 DDAB COc1ccccc1NC(=O)C[C@H](NCc1ccco1)C(=O)O 4318866 JVPAECXKEZTUBV-ZDUSSCGKSA-N 318.329 1.860 0 40 DDAB CCn1ncc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)c1C 20607872 TVWQMUXSWQLDPJ-LBPRGKRZSA-N 302.338 1.265 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O 6436102 VANPHHLNAYJHEL-IJLUTSLNSA-N 323.393 1.127 0 40 DDAB O=C(NC1CCCC1)C1CCN(c2ccc3nncn3n2)CC1 20745876 ZBZFAMKUPDFFOX-UHFFFAOYSA-N 314.393 1.400 0 40 DDAB O=C(C(=O)N1CCN(c2ccccc2F)CC1)N1CCCCC1 6971927 VQXMOQHNDUVSJZ-UHFFFAOYSA-N 319.380 1.487 0 40 DDAB O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N[C@@H]1CCCCNC1=O 46054676 CLDMZAGCHQLNIO-ZNMIVQPWSA-N 307.438 1.426 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C(C)C)C2)no1 46198040 FNYZJPZRQZFDDX-GXTWGEPZSA-N 305.378 1.903 0 40 DDAB CCCNC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 102134937 WZTNHIYEALTKAQ-UHFFFAOYSA-N 311.407 1.682 0 40 DDAB Cn1c(Cl)cnc1COC(=O)CCNC(=O)C1CCCC1 46383136 RPKAJILZQUXIJE-UHFFFAOYSA-N 313.785 1.813 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)NN1CCOCC1 2777571 AQGBWCDPSJJNBA-SECBINFHSA-N 306.288 1.135 0 40 DDAB CCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)cc1 100025289 DPHQXCMZQVFNGZ-UHFFFAOYSA-N 311.319 1.307 0 40 DDAB COCCNC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 16695794 NEWPYVNRQIMDCQ-CYBMUJFWSA-N 317.393 1.023 0 40 DDAB O=C(/C=C/c1cccnc1)NCc1cccnc1-n1cccn1 42055892 UTCMWBMUVIWVDV-VOTSOKGWSA-N 305.341 1.992 0 40 DDAB COc1ccc([C@H](CC(=O)O)CC(=O)N2CCOCC2)cc1 57638230 ZUCYRMUCASHTOT-ZDUSSCGKSA-N 307.346 1.502 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@H]1CCCO1 42865325 KYXVKBFWZKXVKG-OAHLLOKOSA-N 300.362 1.851 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(F)c(F)c2)s1 105740156 XBMDJWIPBCFWHW-FHGRNIPQSA-N 323.364 1.939 0 40 DDAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cc1 24609432 JYRJEKNPRLOSIX-UHFFFAOYSA-N 324.446 1.625 0 40 DDAB COc1ccc(C)cc1NC(=O)COC(=O)C1CCOCC1 24934419 QTZPFJKDWWSZED-UHFFFAOYSA-N 307.346 1.912 0 40 DDAB CC[C@H](NC(=O)COC)c1ccccc1OCC(=O)N(C)C 55598439 CDXPYGNOHXYQBM-ZDUSSCGKSA-N 308.378 1.367 0 40 DDAB COC[C@@H](C)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 25381343 ZYKSNHVWTSJPGQ-SNVBAGLBSA-N 317.345 1.613 0 40 DDAB Cc1cc(N2CCN(CCc3cccs3)CC2)nc(N)n1 57141356 HPHHYGHVXJVZJO-UHFFFAOYSA-N 303.435 1.793 0 40 DDAB NS(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)C2CC2)c1 44258702 JWWCFIHMOHRMRH-UHFFFAOYSA-N 320.370 1.732 0 40 DDAB C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@H](C)O1 108482117 AUWLCBZSZAQHPP-PDWCTOEPSA-N 304.456 1.755 0 40 DDAB COCCn1cc(NC(=O)N[C@@H](C)C(=O)NC2CCCC2)cn1 58008158 SGAQDEATCXHOTF-NSHDSACASA-N 323.397 1.098 0 40 DDAB S=C(NCc1ccccc1)NNC(=S)NC[C@H]1CCCO1 3332592 FSNHURGACNEDFW-GFCCVEGCSA-N 324.475 1.209 0 40 DDAB Cc1ccc(OCCC(=O)NCc2nnc3n2CCC3)cc1C 44776182 FGKILEAINGTBRB-UHFFFAOYSA-N 314.389 1.926 0 40 DDAB Cc1ccc2c(CC(=O)NC[C@@H]3CCS(=O)(=O)C3)coc2c1 44718900 RMHHYAVGNGLTFY-LBPRGKRZSA-N 321.398 1.835 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1 44890744 QVEWEVQXZANOJV-HNNXBMFYSA-N 308.341 1.628 0 40 DDAB CCOc1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1 3334361 LPYVAOTXPSCGRH-UHFFFAOYSA-N 305.252 1.921 0 40 DDAB CN1CCCC[C@H]1CCn1nnc(-c2ccc(C(N)=O)cc2)n1 58292393 KEMFYCOICIREAN-AWEZNQCLSA-N 314.393 1.313 0 40 DDAB CCOc1ccc(C(=O)NCCCCN2CCN(C)CC2)cn1 58265029 FUXFHRDWBLIGFF-UHFFFAOYSA-N 320.437 1.238 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCN(c3ncccn3)CC2)n1 27765600 KUNZTAAINFUKFB-GFCCVEGCSA-N 302.382 1.866 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1F 44933980 WPDGAFUXGGGUIE-NXEZZACHSA-N 303.355 1.632 0 40 DDAB O=C(O)C[C@@H](NCc1ccco1)C(=O)OCCc1ccccc1 2212111 MDBZPIOJVFHPOL-OAHLLOKOSA-N 317.341 1.998 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)on1 45298443 ZAPXZKJBONITIK-UHFFFAOYSA-N 320.370 1.487 0 40 DDAB Cc1ccc(NCCCNc2nn3c(=O)ccnc3s2)nc1 48235364 GJGJKWHJKSRXLF-UHFFFAOYSA-N 316.390 1.769 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1Cc2ccccc2O1 48302651 KMPPILBBZPOLAY-OCCSQVGLSA-N 300.362 1.575 0 40 DDAB CCCCc1nnc(NC(=O)CNC(=O)c2ccco2)s1 12854134 HWQOXPQMXRHZQY-UHFFFAOYSA-N 308.363 1.842 0 40 DDAB CSc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 48475883 ACDRSARUAVYXAY-SNVBAGLBSA-N 314.432 1.965 0 40 DDAB COc1ccc(NC(=O)[C@@H](C)Sc2ncn[nH]2)cc1OC 12924751 MRUBWBBXWWEOQA-MRVPVSSYSA-N 308.363 1.941 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2CCC(=O)N2CCOCC2)n1 70004307 IZLBMIWOOJTOGB-INIZCTEOSA-N 320.437 1.213 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1C[C@H](C)C[C@@H](C)C1 8394960 RNCIQIQTBVEBKB-VXGBXAGGSA-N 320.389 1.677 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCc2cncnc2C1 69489715 OHSXBMUZOLUYBN-ZDUSSCGKSA-N 308.385 1.813 0 40 DDAB Cc1cc(NC(=O)CN2CCc3c(ncn3C3CC3)C2)on1 69420676 HKQBWOFWFGDSRW-UHFFFAOYSA-N 301.350 1.511 0 40 DDAB CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]2c2ccccc2OC)CC1=O 69487859 ZMCIRFMRMCTISP-MRVWCRGKSA-N 302.374 1.536 0 40 DDAB CC(C)c1ccc(NC(=O)COCC(=O)N2CCOCC2)cc1 13942241 DZEQPNFYUUVPPX-UHFFFAOYSA-N 320.389 1.624 0 40 DDAB CC(C)N1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 65427777 XNCFSOPBCHBAMT-UHFFFAOYSA-N 315.381 1.220 0 40 DDAB COCCN(Cc1ccccn1)C(=O)c1ccc(=O)n(C)c1 65552724 BLXKTBUBOYZKFX-UHFFFAOYSA-N 301.346 1.069 0 40 DDAB CCCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1 14118452 XYSCGLINFVUSJG-UHFFFAOYSA-N 322.384 1.501 0 40 DDAB Cc1ccc(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1C 14122735 OYTOGUHDOZAUJZ-OAHLLOKOSA-N 303.406 1.795 0 40 DDAB COCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1C 4509607 QBNPELFIZXVUEP-UHFFFAOYSA-N 303.362 1.862 0 40 DDAB CCOc1ncccc1NC(=O)N[C@@H](C)C(=O)N[C@H](C)CC 65607813 FLFANINFIYFEGV-MNOVXSKESA-N 308.382 1.905 0 40 DDAB O=C(COCC1CC1)NC[C@H]1CN(Cc2ccccc2)CCO1 69531447 BANRNIOJVLHLNM-KRWDZBQOSA-N 318.417 1.430 0 40 DDAB CCCc1noc([C@@H](C)NCC2CCN(C[C@H](C)O)CC2)n1 69511761 JLGLUZNQQHBBIA-QWHCGFSZSA-N 310.442 1.766 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O 69521055 CPHPASNNDDWKOY-KBPBESRZSA-N 318.421 1.476 0 40 DDAB Cc1cc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)no1 5530959 JEVNXCOCOIOMMA-UHFFFAOYSA-N 316.346 1.894 0 40 DDAB O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c(-n2cnnc2)n1 4772719 AFSSXWCKKPCERI-UHFFFAOYSA-N 323.238 1.657 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc2ccccc2c1 4704966 HVCJWKLPNWXHHW-UHFFFAOYSA-N 320.414 1.987 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 69628102 IHASCZKAEVTZBV-IAGOWNOFSA-N 324.440 1.884 0 40 DDAB CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(C)s1 69689047 GBUZEWAOCVTMIP-SNVBAGLBSA-N 304.437 1.851 0 40 DDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCC(CCO)CC1 69702635 HEHKRQWSTYYXSG-CQSZACIVSA-N 320.433 1.794 0 40 DDAB O=S(=O)(CCN1CCc2cncnc2C1)c1ccccc1 69700012 CKWUYYIIQRURLF-UHFFFAOYSA-N 303.387 1.309 0 40 DDAB Cc1nc(N)nc(C)c1CC(=O)Nc1cnc2n1CCCC2 67472867 BBOIEFDCFLAGMD-UHFFFAOYSA-N 300.366 1.390 0 40 DDAB COc1ncnc(N)c1CN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 92063793 VGLLEZMYCGBKIA-XHDPSFHLSA-N 314.389 1.891 0 40 DDAB CCN1CCO[C@H](CNCc2cc(OC)cc3c2O[C@H](C)C3)C1 69976760 ZJJXJWCTXJKKRE-CXAGYDPISA-N 320.433 1.829 0 40 DDAB COC(=O)c1cc(S(N)(=O)=O)c(F)cc1Br 68592577 VREZQBBEYJUJDR-UHFFFAOYSA-N 312.116 1.022 0 40 DDAB in-vitro O=C(NC1CCCC1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059555 YVOOIRGJYRRLIA-UHFFFAOYSA-N 314.393 1.628 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2c2cc(=O)[nH]c(=O)[nH]2)c1 96006354 WTUVVVCMXVNYHC-GFCCVEGCSA-N 317.345 1.422 0 40 DDAB Cc1cc(SCC(=O)NC2CCCCC2)n2ncnc2n1 19853723 SVLNERKOTBZXEI-UHFFFAOYSA-N 305.407 1.974 0 40 DDAB CN(C)C(=O)c1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)[nH]1 93870044 SNENJEPHOYPIDD-ZDUSSCGKSA-N 315.421 1.515 0 40 DDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](n2ccnc2)C1 71796508 HOUJFCYCTLZCJE-GFCCVEGCSA-N 311.345 1.530 0 40 DDAB C[S@](=O)c1nncn1CC(=O)N[C@H](c1ccccc1)C1CC1 71899929 KLDYTLBZJOZOAI-JLCFBVMHSA-N 318.402 1.283 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc2c1OCO2 71857652 WZDUXNFJYRRVLC-SMDDNHRTSA-N 321.329 1.426 0 40 DDAB O=C(NCCOC[C@@H]1CCCO1)N1CCc2ccccc2C1 72286314 SRTOGHPYGSFBJQ-INIZCTEOSA-N 304.390 1.950 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2c2ncnc3c2cnn3C)c1 72276485 BDTFYBJUDSYHKU-ZDUSSCGKSA-N 311.393 1.927 0 40 DDAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NCC1CCC1 89885494 KRWSGIZWRIZNNC-UHFFFAOYSA-N 317.414 1.863 0 40 DDAB O=C(NCCSCCCO)c1ccc(Br)cn1 97228848 FQCKLYHKGRRZEC-UHFFFAOYSA-N 319.224 1.690 0 40 DDAB Cc1cccc(NC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1 97378695 FEZSJXIDAOGOBL-TZMCWYRMSA-N 304.394 1.574 0 40 DDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H]1CCCNC1=O 84410490 SFSZSPDMEAORBS-CABCVRRESA-N 321.396 1.971 0 40 DDAB CCn1cc(C(=O)NCCn2c(C(C)C)n[nH]c2=S)cn1 75400523 AFOKDTIUZIVCLQ-UHFFFAOYSA-N 308.411 1.710 0 40 DDAB CC(C)c1nc(CC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cs1 95399405 MCDKORQLOZHQFC-GHMZBOCLSA-N 309.435 1.969 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc2c(s1)CCC2 89919979 VORWURGUWWBAIK-UWVGGRQHSA-N 313.444 1.884 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(CCn2cccn2)C1 95402293 LXWUXJMQACGNEV-AWEZNQCLSA-N 316.409 1.350 0 40 DDAB Cn1cccc1[C@H]1CCCCN1C(=O)CCCS(C)(=O)=O 95405789 ZBDOFTHZXBZJDE-CQSZACIVSA-N 312.435 1.904 0 40 DDAB O=C(Nc1cc(-c2ccccc2)on1)N1CCN(CCO)CC1 95418809 BSEWDCZMHXDQMV-UHFFFAOYSA-N 316.361 1.483 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3noc(CC(C)C)n3)CCO2)n1 76048831 QQCWRSFFLZHUMF-NSHDSACASA-N 306.370 1.268 0 40 DDAB O[C@@H]1c2ccccc2C[C@H]1N1CCCN(c2ncccn2)CC1 95987356 PRBUNCXHVUTBML-IAGOWNOFSA-N 310.401 1.647 0 40 DDAB C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1F 95963123 QIUZQSAADKKJOA-DGFSRKRXSA-N 313.394 1.653 0 40 DDAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CC(=O)O)CC(C)C 95969872 VXGQVABZPWSDFE-LLVKDONJSA-N 309.410 1.785 0 40 DDAB C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 78549737 ZAOCZNMDIJSDSC-RZFFKMDDSA-N 318.373 1.283 0 40 DDAB CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Oc1ccccc1F 75093849 MFOLGMDZPTVJTL-NEPJUHHUSA-N 308.353 1.578 0 40 DDAB CC[C@H](NC(=O)[C@H]1CN(CC)CCO1)c1nc2ccccc2[nH]1 78966027 JBTXEZPMYBQUIV-SWLSCSKDSA-N 316.405 1.851 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)c1ccc(-n2ccnc2)nc1 78976413 JFYGCJJWAMJUDH-UHFFFAOYSA-N 309.329 1.527 0 40 DDAB C[C@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 79095616 VJAZAADKJFOWGA-UKRRQHHQSA-N 324.446 1.673 0 40 DDAB Cc1cc(C(=O)N2CCn3c(-c4cccnc4)cnc3C2)no1 306134498 NPHQRLAINGZJRO-UHFFFAOYSA-N 309.329 1.898 0 40 DDAB CN1CCN(c2nc3ccccc3c(=N)[nH]2)C[C@H]1c1nccn1C 530428000 RTLIYPSDYWSIBI-AWEZNQCLSA-N 323.404 1.269 0 40 DDAB Cc1nnc(Sc2ccc(C(=O)OC(C)C)cc2N)n1N 70462376 FZSVVSITIOQBNR-UHFFFAOYSA-N 307.379 1.599 0 40 DDAB Cc1ccc(Cl)cc1N1N[C@H](O[C@@H](C)C(=O)O)C=CC1=O 32918626 OEMVQYZSTAUHOE-JOYOIKCWSA-N 310.737 1.872 0 40 DDAB COc1ccc(Br)c(C(=O)N[C@H]2CNC(=O)C2)c1 75158229 KYUHPJZKSGJMKG-SSDOTTSWSA-N 313.151 1.076 0 40 DDAB CC(=O)N1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216557 RMIGSIBESOBBCR-INIZCTEOSA-N 302.422 1.907 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)N1CCC[C@@H]1COc1ccccc1 79097849 JSLVMBCUIOCRKJ-CYBMUJFWSA-N 321.402 1.950 0 40 DDAB Cc1ccc(NCCNC(=O)c2cc3ccccc3oc2=O)nn1 38670533 KHTJNPSYIIEYFX-UHFFFAOYSA-N 324.340 1.733 0 40 DDAB CN(Cc1ccccc1I)C(=O)CN 79420818 UHZFXIQXVXNEHB-UHFFFAOYSA-N 304.131 1.208 0 40 DDAB Nc1ccc(Sc2nnc(C(F)(F)F)n2N)c(C(=O)O)c1 78406621 ZPHKPYYNJZMXJV-UHFFFAOYSA-N 319.268 1.442 0 40 DDAB CC(C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223351243 DHXYLONKGOHEHN-GFCCVEGCSA-N 304.346 1.431 0 40 DDAB CC(C)Oc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 61500491 XJTPCYSXVKCHCG-NSHDSACASA-N 312.391 1.782 0 40 DDAB CC(C)c1nc(S(=O)(=O)NC[C@@]2(O)C=CCCC2)cn1C 606440782 OFAIEEPUXYUOBY-CQSZACIVSA-N 313.423 1.293 0 40 DDAB CCN1CCN(c2nnc(-n3cccc3C(=O)O)s2)CC1 45796069 ZSGCBGURCSBNIZ-UHFFFAOYSA-N 307.379 1.169 0 40 DDAB O=C(O)[C@@H]1c2ccccc2CCN1Cc1ncnn1CC(F)F 569732584 DIFGGFZYAHJLRJ-AWEZNQCLSA-N 322.315 1.727 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCc2nccc(N(C)C)n2)c1 224194933 CZEMAVZDELVXMD-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB CCOC(=O)[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1 226080919 FZJVOCXJBPREDF-ZDUSSCGKSA-N 304.350 1.523 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCCN(c2cc(C)ccc2F)C1=O 96409598 SISMHAZTCXOKFZ-GFCCVEGCSA-N 314.382 1.569 0 40 DDAB Cn1cc(S(=O)(=O)NCCSc2cccs2)cn1 96430141 YBHNKZAHIVOOMP-UHFFFAOYSA-N 303.434 1.552 0 40 DDAB CCCCCS(=O)(=O)N1CCN(c2nc(C)ns2)CC1 95403228 ADQODLYTSOWVIF-UHFFFAOYSA-N 318.468 1.489 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1nccs1 96060547 MKTCJMPHVMTBAG-ZDUSSCGKSA-N 319.434 1.890 0 40 DDAB Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c2ccccc2n1 96418373 XUPANHBIYWPAOY-UHFFFAOYSA-N 324.340 1.193 0 40 DDAB COC(=O)CCNC(=O)C1(c2ccc(OC)cc2)CCOCC1 96115144 SAXKDWJVUGBVAG-UHFFFAOYSA-N 321.373 1.423 0 40 DDAB biogenic CN(C)[C@@H]1COC[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 96185721 XLSTXYOGQDXJQS-SOUVJXGZSA-N 304.390 1.424 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cncc(C)c1)[C@H]2C 96111092 UHEKZASBLYIGGY-LBPRGKRZSA-N 300.362 1.950 0 40 DDAB O=C(c1cocn1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107672 ZNIOGTGSNITOSH-LRDDRELGSA-N 315.329 1.522 0 40 DDAB Cn1ccnc1C(=O)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96081470 TVFOIMUYZHMCKR-UONOGXRCSA-N 311.389 1.414 0 40 DDAB O=C1C[C@H]2[C@H](CCN2C(=O)c2ccco2)N1Cc1cccnc1 96245895 KYWJRMCGPHQEDO-KBPBESRZSA-N 311.341 1.690 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 95532923 WEDLJPOUXKKRCL-BVIKNXMNSA-N 310.482 1.826 0 40 DDAB C[S@](=O)c1ccc(NC(=O)N2CCC[C@@H]2CO)cc1F 96447181 KYFXQPNYXWZRES-CFMSYZGJSA-N 300.355 1.552 0 40 DDAB O=C(c1ccc[nH]1)N1CCc2nnc(Cn3cccc3)n2CC1 96259881 DIRMWCDYUUKLPI-UHFFFAOYSA-N 310.361 1.155 0 40 DDAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cnccn1)C2 96229781 IABRAZVBZSNVPW-MRXNPFEDSA-N 302.378 1.484 0 40 DDAB COCC(=O)N1CC[C@@H]2O[C@H](COCc3ccncc3)CC[C@@H]21 96186158 SWLAZHQUFSLEQQ-JYJNAYRXSA-N 320.389 1.393 0 40 DDAB Cn1cc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257234193 GSNKGXYPIAKHGD-LLVKDONJSA-N 321.406 1.016 0 40 DDAB COCCN1CCC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 257285303 PGNNEJFWZQYWMF-ZDUSSCGKSA-N 301.394 1.768 0 40 DDAB CNC(=O)CN(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257226146 FJHPSTKZQNIZEF-YCPHGPKFSA-N 310.369 1.164 0 40 DDAB Cc1nc2ccc(C(=O)N3CCOC[C@@H]3c3ccn[nH]3)cc2[nH]1 257290904 QETXUJOZOYSZQE-OAHLLOKOSA-N 311.345 1.808 0 40 DDAB Cc1n[nH]cc1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 257272621 NDCUMHDZECPUJX-HNNXBMFYSA-N 301.394 1.753 0 40 DDAB CCN1CCC(N2CCOC[C@H](Cc3cc(O)ncn3)C2)CC1 257292339 QLAVWUIRAPHQIB-CQSZACIVSA-N 320.437 1.157 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257242606 IDHMULPIJFIKHC-LLVKDONJSA-N 307.785 1.974 0 40 DDAB O=C(CCCn1ccnc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257216906 CWQCRVURQNJJFB-CYBMUJFWSA-N 315.377 1.565 0 40 DDAB Cc1nc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)co1 257299373 RPTPWFHUEWXAFI-CYBMUJFWSA-N 316.361 1.434 0 40 DDAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCN2S(C)(=O)=O)n1 585178821 AVUWGRZSCBDLFZ-GFCCVEGCSA-N 321.406 1.580 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@@H]1C 585097767 OGCKAHQJSRZXIB-ZDUSSCGKSA-N 318.421 1.607 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@@H]21 585109658 YSDIIEKQPNHVDS-QLFBSQMISA-N 300.358 1.195 0 40 DDAB Cc1n[nH]cc1CNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 69812000 XXJXZCQWMFWZFX-VIFPVBQESA-N 300.318 1.368 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)n1cncn1 72234060 UPKRWGWHYSWVPB-QWHCGFSZSA-N 302.382 1.553 0 40 DDAB Cn1cc(N2CCC[C@H](Nc3cccc(CO)c3)C2=O)cn1 98014344 YXGPIKSGSSFAAM-HNNXBMFYSA-N 300.362 1.520 0 40 DDAB Cc1cnc(C)c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 301094293 UFUWJJARIKUJRM-CQSZACIVSA-N 304.394 1.169 0 40 DDAB CC(=O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C 5159740 PDUYVBMLHXYKCF-UHFFFAOYSA-N 307.399 1.179 0 40 DDAB in-vitro Nc1nccnc1C(=O)OCc1csc(-c2ccccn2)n1 11339066 JVOPLXDAUJONJP-UHFFFAOYSA-N 313.342 1.934 0 40 DDAB CC(C)Cc1nc2n(n1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 14607198 RWGHEQIGDSURKN-LBPRGKRZSA-N 313.361 1.999 0 40 DDAB O=S(=O)(NCCc1cccnc1)c1cccc2nsnc12 19079791 BZNZRIKPYOXGGX-UHFFFAOYSA-N 320.399 1.607 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC3CC3)n2)s1 19217494 LDKUCKPMEPACBZ-UHFFFAOYSA-N 304.375 1.141 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCc3ccccc3)c(=O)nc2c1 164576670 ULXJHDQDBJLCGP-UHFFFAOYSA-N 309.325 1.639 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 225661018 ADVXFUINSJQFCE-CYBMUJFWSA-N 318.402 1.684 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)c1C 4280109 NUZPWCCIYOWCOD-UKRRQHHQSA-N 320.389 1.854 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@@H](Oc2ccncn2)C1 575606188 SUAXWSKUILSOAV-GFCCVEGCSA-N 302.334 1.765 0 40 DDAB CCN1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 216035 YGSNFDKMTLGNFL-UHFFFAOYSA-N 305.403 1.509 0 40 DDAB CN1CC[C@@H](N2C[C@@H]3C[C@H]2CN3C(=O)C23CCC(CC2)C3)C1=O 1032478421 HXBZJFFPJOMJOL-WPMQWBBHSA-N 317.433 1.083 0 40 DDAB c1nc(N2CCN(c3ccc4nccn4n3)CC2)c2cc[nH]c2n1 1888914110 JGILONYVOIMDQL-UHFFFAOYSA-N 320.360 1.327 0 40 DDAB COc1cc(CN2CCO[C@H](C(=O)NC3CC3)C2)cc(OC)c1 1889098717 WRABKLBINOPKDO-INIZCTEOSA-N 320.389 1.183 0 40 DDAB CC[C@@]1(C)NC(=O)N(C[C@H](O)COc2cc(C)ccc2C)C1=O 14236224 DGKSCCZCSWBFDW-SUMWQHHRSA-N 320.389 1.764 0 40 DDAB COC(=O)c1ccc(OCCNC(=O)OC(C)(C)C)c(N)c1 2037873299 CVVXSMAWXACIHA-UHFFFAOYSA-N 310.350 1.959 0 40 DDAB Cn1cc(N2C[C@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cn1 1614931078 ISMXMPVGRUQXIO-OAHLLOKOSA-N 320.368 1.268 0 40 DDAB CC(C)N(C)CC(=O)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1436861302 OKVOBSSPACEMLV-IRXDYDNUSA-N 316.449 1.597 0 40 DDAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)c(C(=O)O)c1OC 518750 ZLOHCXWHFSYRHQ-CPCISQLKSA-N 313.331 1.190 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)c1ccccn1)CC2 2055732396 HACQRACZTRIARV-NSHDSACASA-N 300.362 1.419 0 40 DDAB NCCn1nc([C@H]2CCN(Cc3ccccc3)C2)c2nccnc21 19371783 SUTGQTYJEHGUEP-HNNXBMFYSA-N 322.416 1.775 0 40 DDAB CC/C(NC1CC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 101038096 FXDAKYBSAFPBBE-BUHFOSPRSA-N 313.357 1.681 0 40 DDAB CCC[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 34474 OZMXKPWCQWVTMR-MRVPVSSYSA-N 315.376 1.223 0 40 DDAB O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H]1CCCC[C@H]1CO 81633795 FYZYGVSMRIVZDY-GXTWGEPZSA-N 315.377 1.940 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)CCNC(=O)c1ccsc1 40534270 BJHISWOXCRTEKE-CYBMUJFWSA-N 323.462 1.859 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCCN(Cc2nc(C3CC3)no2)C1 40540634 RTAGJDVUIFDARV-CYBMUJFWSA-N 304.394 1.685 0 40 DDAB Cc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(C)(=O)=O)cc1 1254057 SSRSQTGLZIIQIM-GFCCVEGCSA-N 301.389 1.072 0 40 DDAB COc1cccc(N2C[C@H](C(=O)Nc3cn[nH]c3)CC2=O)c1 40512210 HDHRRIZPUBBAHF-SNVBAGLBSA-N 300.318 1.410 0 40 DDAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 1737989 YLVNQBPUQHVOGL-TXFQPVFDSA-N 317.728 1.624 0 40 DDAB CC[C@](C)(CNC(=O)c1cccnc1OC)N1CCOCC1 31924725 JELXFEQMOJVOAT-MRXNPFEDSA-N 307.394 1.321 0 40 DDAB CC[C@@](C)(CNC(=O)c1cc(C(C)=O)c[nH]1)N1CCOCC1 31927445 ZCLZWAPRIIVQFQ-INIZCTEOSA-N 307.394 1.448 0 40 DDAB C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 20565794 FRVKNBYLRPHELK-YPMHNXCESA-N 311.403 1.513 0 40 DDAB Cc1sc2nc(C)n(NC(=O)c3ccn(C)n3)c(=O)c2c1C 2778757 XFSDSEZFPPMJMX-UHFFFAOYSA-N 317.374 1.501 0 40 DDAB CCCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 4028119 WHYCYJUAIQNWPT-UJPOAAIJSA-N 302.367 1.810 0 40 DDAB biogenic CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 262465 PWWYAESYBFUPEP-GXTWGEPZSA-N 316.467 1.743 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(C)c1 6435925 XIRWLKFDYJWAEJ-UHFFFAOYSA-N 302.330 1.685 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102177636 FCWDKOPVQSXLJV-VHRBIJSZSA-N 314.341 1.479 0 40 DDAB O=C(Cc1noc2ccccc12)Nc1ccc(-n2cncn2)nc1 32769351 CJSXQXRKKQHSNF-UHFFFAOYSA-N 320.312 1.985 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COCc1ccco1 21559331 ZVQHNYFZKFIAKX-LLVKDONJSA-N 308.334 1.022 0 40 DDAB Cc1cnn(CCCNC(=O)Cc2ccc3c(c2)OCO3)c1 89702479 LAWVEMGTDOBPNK-UHFFFAOYSA-N 301.346 1.669 0 40 DDAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)c1ccc[nH]c1=O 32924895 SIAOKLUSOSLQCB-UHFFFAOYSA-N 315.304 1.893 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 102863612 FWRFDILAQMFPGV-KBPBESRZSA-N 302.374 1.632 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)NCc2cccs2)C1 53250269 LGDPYHPMEGBTRJ-CYBMUJFWSA-N 311.451 1.904 0 40 DDAB O=C(CNC(=O)c1cccc[n+]1[O-])Nc1ccc(Cl)cc1 54171376 ZAZPJIFJCYIOBE-UHFFFAOYSA-N 305.721 1.342 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccnc2S)C1 53550435 YJDONQCYWWFRKI-JTQLQIEISA-N 309.391 1.721 0 40 DDAB CCNC(=O)[C@H](C)N1CCN(C/C=C/c2ccccc2)CC1 22777723 RYEOTZIGQPLCAX-JCVNQNCUSA-N 301.434 1.842 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)[C@@H]1COc2ccc(Cl)cc2C1 42478626 YXLIRQBBSMHRKG-AAEUAGOBSA-N 322.792 1.676 0 40 DDAB COCCN1CCN(CC(=O)Nc2cccc(C)c2C)CC1 24626781 GJNOTWYUQIFWIB-UHFFFAOYSA-N 305.422 1.506 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)C1 25168610 ZUWRYWYSKRXRTJ-ZYHUDNBSSA-N 323.349 1.112 0 40 DDAB O=C(O)c1csc(-n2ncc(C(=O)O)c2C(F)(F)F)n1 25185819 LMNWGROXVUZBHB-UHFFFAOYSA-N 307.209 1.744 0 40 DDAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 25440295 QYWZIBSIVSQYNT-HNNXBMFYSA-N 320.370 1.401 0 40 DDAB O=C(NCCOc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 56009032 ZINSMBHQMVKTKO-AWEZNQCLSA-N 323.414 1.105 0 40 DDAB C[C@H]1CCCCN1[C@H](C)CNC(=O)NCCCn1cncn1 107573932 ICXJUISQXYPCLE-UONOGXRCSA-N 308.430 1.230 0 40 DDAB CCCCn1c(CCC(=O)O)nc2c1c(=O)[nH]c(=O)n2CCC 12504686 AZSRKOPFSMYYEH-UHFFFAOYSA-N 322.365 1.114 0 40 DDAB COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cn1 12508322 PDHUKLGFNYFJSQ-UHFFFAOYSA-N 321.358 1.714 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1cccnc1 27976246 MFNFKZRMEIRAPR-GFCCVEGCSA-N 324.344 1.141 0 40 DDAB COCCN1C(=O)[C@H](n2cnnn2)[C@@H]1c1ccc(Cl)cc1 58154871 WZVZSUHCGCGHLC-NWDGAFQWSA-N 307.741 1.098 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2CC1 44891565 ZPFMHMUMYBQARR-CQSZACIVSA-N 306.387 1.253 0 40 DDAB Cc1noc(C)c1CN1CCC(c2ccnn2CCO)CC1 58289743 MIFNTJHNJRCSAE-UHFFFAOYSA-N 304.394 1.860 0 40 DDAB COc1ccc([C@H](CNC(=O)Nc2nncs2)N(C)C)cc1 44935447 UZNSGFUSLAYMGD-LBPRGKRZSA-N 321.406 1.971 0 40 DDAB CNC(=O)[C@@H]1CCCN1c1nn2cc(C(C)(C)C)nc2s1 44978818 QJMDNBYPOKAYOB-VIFPVBQESA-N 307.423 1.803 0 40 DDAB O=C(NC[C@H]1CCN(C2CC2)C1)c1cnn(-c2ccccc2)n1 44934403 RXDRTEWWBIMNQQ-CYBMUJFWSA-N 311.389 1.481 0 40 DDAB CC(C)CNC(=O)CN1CCC(C(=O)NCc2ccco2)CC1 58330323 AXKBDLXMWGLEON-UHFFFAOYSA-N 321.421 1.380 0 40 DDAB CC1(C)COCCN1C(=O)c1ccc(Cn2cncn2)cc1 58344097 CWKZWXGNRYNFBA-UHFFFAOYSA-N 300.362 1.577 0 40 DDAB CCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58344093 XDIHJRZVLACIPI-UHFFFAOYSA-N 310.419 1.614 0 40 DDAB Cc1ccc(OCCNS(=O)(=O)N2CCC[C@@H](C)C2)cc1 27974266 OKWWTDOUNJIIKP-CQSZACIVSA-N 312.435 1.940 0 40 DDAB Cc1ccc(CC(=O)NCc2ccc(-n3cccn3)nc2)cn1 58417139 WVBHEYKEUXAOSS-UHFFFAOYSA-N 307.357 1.830 0 40 DDAB Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)N1CCCCC1 20634969 KNMSCIZTKTUJLV-UHFFFAOYSA-N 324.384 1.970 0 40 DDAB Cc1[nH]c2c(C(=O)NC[C@H]3CCS(=O)(=O)C3)cccc2c1C 45348122 UGKSGQMQRAFZOA-GFCCVEGCSA-N 320.414 1.949 0 40 DDAB NC(=O)c1ccccc1NCC(=O)N1CCc2sccc2C1 10940093 STTFVRZXQMEKJS-UHFFFAOYSA-N 315.398 1.844 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1F 69349611 TXSUWQHVEIGALE-NSHDSACASA-N 312.316 1.600 0 40 DDAB CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 48314535 BFEOVSSTCUMKLC-ZDUSSCGKSA-N 318.421 1.292 0 40 DDAB Cn1ccnc1CN1CCN(c2ncnc3ccccc23)CC1 69443593 DDZOLIOQLLPGGC-UHFFFAOYSA-N 308.389 1.686 0 40 DDAB CCCCS(=O)(=O)NCCOc1ccc2c(c1)OCO2 49078244 AYGKBBQSTLIGEF-UHFFFAOYSA-N 301.364 1.514 0 40 DDAB CCCNC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(OC)cc1 8531029 VENIPWKNNOHRMZ-LBPRGKRZSA-N 307.394 1.480 0 40 DDAB Cc1csc(NC(=O)CN2CCCC[C@H]2Cn2cncn2)n1 69707425 MJHHPCVWAIBITL-LBPRGKRZSA-N 320.422 1.536 0 40 DDAB CC(C)(CNC(=O)COc1ccccc1F)N1CCOCC1 14119315 VSCFSSQIKZLGTJ-UHFFFAOYSA-N 310.369 1.432 0 40 DDAB S=C1N[C@@H](c2ccco2)N2C(=S)N[C@@H](c3ccco3)N12 6513052 MVQUTNOUSMMRAW-NXEZZACHSA-N 306.372 1.865 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 4681267 RDZRBFGXUDYAOX-UHFFFAOYSA-N 321.782 1.579 0 40 DDAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 4975947 ABXBLBOROCXFIW-VIFPVBQESA-N 308.407 1.830 0 40 DDAB COc1ccc(-c2nc(C(=O)O[C@@H](C)C(N)=O)cs2)cc1 8005139 RQNICVPRHIOYJM-QMMMGPOBSA-N 306.343 1.849 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccn1 9338878 YGTOHQCWZWDFMQ-LLVKDONJSA-N 316.361 1.123 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)O 96402424 DLGWHNFHPXKXGV-CQSZACIVSA-N 301.346 1.770 0 40 DDAB CC(C)c1ncncc1C(=O)N1CCC(N2CCNC2=O)CC1 71818329 DFNDTMAHDUAYKH-UHFFFAOYSA-N 317.393 1.230 0 40 DDAB Cc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1C 71841563 KYCIBHUUIXNWRP-ZDUSSCGKSA-N 317.364 1.547 0 40 DDAB Cc1ccc(C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O)c(C)c1 71888918 DTELUCJFHCXLLO-CYBMUJFWSA-N 312.435 1.242 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)Nc2nccs2)no1 75573235 GQTZEOWUNNWYBB-SECBINFHSA-N 307.379 1.864 0 40 DDAB C[C@@H](O)CN1CCC(CNCCC(=O)NC2CCCC2)CC1 75602860 YABNYXMHQSDRLP-CQSZACIVSA-N 311.470 1.118 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)C2=NN(C(C)C)C(=O)CC2)no1 76043770 ACRKYORMHMWSOA-LBPRGKRZSA-N 319.365 1.428 0 40 DDAB Cn1cc(Br)cc1C(=O)NC[C@H](O)c1ccco1 95417244 GKJVXMURGKTRRB-JTQLQIEISA-N 313.151 1.844 0 40 DDAB Cn1nc(C(F)(F)F)c(CN2CCC(C(N)=O)CC2)c1Cl 95469319 NVTPZBXXWGFEPU-UHFFFAOYSA-N 324.734 1.790 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95455574 CDNCNUIQEQJMGI-OCCSQVGLSA-N 322.380 1.829 0 40 DDAB O=C(NCCc1nccs1)[C@@H](c1ccccc1)n1cnnn1 95477866 VXNHZASIXFGCED-CYBMUJFWSA-N 314.374 1.078 0 40 DDAB Cn1cc(C[C@H]2CC(=O)N(Cc3cccc(F)c3)C2=O)cn1 95962862 IXJZQLYHCXDACK-ZDUSSCGKSA-N 301.321 1.677 0 40 DDAB COc1ccccc1/C=C/CN(C)CC(=O)N1CCOCC1 95982307 SEWOKGALCKLBCJ-FNORWQNLSA-N 304.390 1.499 0 40 DDAB COCc1cc(N(C)Cc2ncnn2C)nc(C(C)(C)C)n1 95973011 QMFNDWNYLGZNJY-UHFFFAOYSA-N 304.398 1.685 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CC(N)=O 95999815 DQOHZWTUZUPHBJ-HNNXBMFYSA-N 314.389 1.348 0 40 DDAB Cc1ccc(C(=O)NCc2ccccc2Cn2ccnc2)c(=O)[nH]1 75118427 XKSOQUAUFNSFGX-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)c1 126768375 ZCFFJFVQEQAWOK-LLVKDONJSA-N 318.295 1.624 0 40 DDAB O=C([C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)N1CCc2c(O)ncnc2C1 515941520 QEPCQSSQUBGXJG-GOGUNFLPSA-N 323.396 1.461 0 40 DDAB COC(=O)[C@@H](C)NC(=O)N1CCc2c([nH]c3ccccc23)C1 36576621 FZVSFNSLFADQRM-SNVBAGLBSA-N 301.346 1.797 0 40 DDAB NC(=O)c1nccnc1C(=O)N1CCc2c(Cl)cccc2C1 73891576 DNMYXYQGNQJMQM-UHFFFAOYSA-N 316.748 1.427 0 40 DDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1C[C@@H]1C 78925582 RQMZAQMRESYCSW-WCQYABFASA-N 306.362 1.982 0 40 DDAB CC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 77135608 GIXNAGKXAXBAPP-UHFFFAOYSA-N 300.362 1.297 0 40 DDAB COc1cc2nc(NC[C@@H]3CCOC3)nc(N)c2cc1OC 78877855 AHCUDGDMFSWWOS-VIFPVBQESA-N 304.350 1.678 0 40 DDAB NCC1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218035604 BFJXUQYNYILNKN-CVEARBPZSA-N 316.426 1.530 0 40 DDAB Cc1nccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72364525 KBKCAJJILFNWJL-GFCCVEGCSA-N 307.379 1.044 0 40 DDAB Cn1cncc1-c1nnc([C@H]2CCN(C(=O)c3ccncc3)C2)o1 49170806 QZIDDWSWCNQYQE-LBPRGKRZSA-N 324.344 1.495 0 40 DDAB biogenic,in-vitro O=C1CCSC[C@@H](C(=O)Nc2cccc3ncccc23)N1 226753142 SDUYBAGLUYEXHH-ZDUSSCGKSA-N 301.371 1.795 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)Cc2ccccc2OC)C[C@@H]1C 74557312 WOSYEWCIEQYMPQ-GJZGRUSLSA-N 320.433 1.805 0 40 DDAB CCO[C@H]1C[C@](O)(CNc2cnn(C)c(=O)c2Cl)C1(C)C 225592838 CCJGASHASROODR-HZMBPMFUSA-N 315.801 1.412 0 40 DDAB Cc1ccc2nncc(SCC(=O)N3CCOCC3)c2c1 46087737 BSEVZNDVHYDJTL-UHFFFAOYSA-N 303.387 1.889 0 40 DDAB Cc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 193982447 QMFXFRXWEQOKFW-GFCCVEGCSA-N 302.827 1.772 0 40 DDAB COCCNC(=O)c1ccc(C)cc1I 225008879 KLMGPLKVFZGBNW-UHFFFAOYSA-N 319.142 1.976 0 40 DDAB CN(C)C(=O)CN1CCC2(CCCN2c2nncs2)CC1 96227988 VYXUXLJCZDYMMM-UHFFFAOYSA-N 309.439 1.061 0 40 DDAB CC(C)c1nc([C@H](C)NC(=O)CCS(C)(=O)=O)cs1 96419985 QEEYHHJHWKQZCG-VIFPVBQESA-N 304.437 1.878 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(Cc4ccco4)C[C@H]32)nn1 96054398 NCGJIPUKJGFYFZ-CABCVRRESA-N 300.362 1.468 0 40 DDAB CNS(=O)(=O)[C@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 97371316 YDPZPRYUPWDPJF-WFASDCNBSA-N 314.426 1.770 0 40 DDAB Cc1nc(CC(=O)NC2(CO)Cc3ccccc3C2)c(C)s1 331795748 KWGKPJMRPFBTHJ-UHFFFAOYSA-N 316.426 1.949 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)Cc3cccc(O)c3)C2)cn1 96410557 OIKKUEDOUSNFIY-ZDUSSCGKSA-N 300.362 1.063 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3C)C[C@H]21 96043328 YBKKUUFDANVBLK-IXDOHACOSA-N 302.418 1.968 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 96461695 VWXQXSXKMGSAIA-JQWIXIFHSA-N 314.382 1.079 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)Nc1ccc(F)cc1 96245807 DXIROVPFKPYTTR-ZIAGYGMSSA-N 321.352 1.679 0 40 DDAB O=C(NCC[S@@](=O)Cc1ccccc1)N1CCSCC1 96408927 NXVCCCSQTDTCAB-FQEVSTJZSA-N 312.460 1.694 0 40 DDAB COc1c2ccccc2nc2c1c(C)nn2CCS(C)(=O)=O 255187562 FJANNIRKHPYTIZ-UHFFFAOYSA-N 319.386 1.946 0 40 DDAB CC(C)(C(=O)N[C@@H]1CCCN(c2ccccn2)C1)n1cncn1 257242769 IEBLBJARJWSVRS-CYBMUJFWSA-N 314.393 1.193 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257336620 YPGJRLIBAQDLJW-AWEZNQCLSA-N 317.393 1.293 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cn1 257313524 USZPJJYTZPVCHM-BZUAXINKSA-N 303.406 1.498 0 40 DDAB CNC(=O)[C@]1(CCCc2ccccn2)CCCN(CCOC)C1 257241726 HZJMZVSTUMFHNO-GOSISDBHSA-N 319.449 1.879 0 40 DDAB CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cn(C)cn1 272984616 ZEQCAUGHMXDHFT-UHFFFAOYSA-N 323.374 1.262 0 40 DDAB O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)c1cccnc1 390826930 CRUWADLKNUTNRN-CYBMUJFWSA-N 322.390 1.648 0 40 DDAB CCOC[C@@H]1Cc2c(ncn2C)CN1Cc1c(C)noc1C 585094776 LYUAWHCHLBITJM-ZDUSSCGKSA-N 304.394 1.988 0 40 DDAB Cc1nc(/C=C/C(=O)N[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)cs1 585290739 WIKAAQYXDAMHSB-YNSOIIGYSA-N 318.402 1.542 0 40 DDAB CNC(=O)c1cnn2c([C@@H]3CCCN3C(=O)C(C)C)ccnc12 585177393 GNPUCJQMODIIKI-LBPRGKRZSA-N 315.377 1.408 0 40 DDAB COCCNC(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1 43979088 RGMIXDVIUAFGIR-UHFFFAOYSA-N 314.430 1.152 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1cccnc1N1CCOCC1 56152601 CDGBGFSKMNXVSA-UHFFFAOYSA-N 316.361 1.704 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)c(C)c1 97235114 GIOLPDCLULBGLG-XJKSGUPXSA-N 318.417 1.504 0 40 DDAB OC[C@@]1(Cc2cccc(F)c2)CN(C2CCOCC2)CCO1 1615142574 NQCOLPGFFBNPJG-QGZVFWFLSA-N 309.381 1.611 0 40 DDAB COc1ccc2ncc(NC(=O)NC[C@@H]3CCCO3)c(O)c2n1 12222666 DCSIEYPDCPREFV-VIFPVBQESA-N 318.333 1.645 0 40 DDAB O=C(CSc1nncs1)Nc1ccc2[nH]c(=O)[nH]c2c1 12931053 TULNEZGJDDWPGQ-UHFFFAOYSA-N 307.360 1.439 0 40 DDAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)on1 17337673 FSDCHUJBDFHUHM-UHFFFAOYSA-N 309.347 1.486 0 40 DDAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C)CC1 19502118 SWUZLGZVGLXECM-GJZGRUSLSA-N 322.457 1.331 0 40 DDAB CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cc(CC)on2)n1 19522545 JKFWMVXXTDJDPX-CYBMUJFWSA-N 316.361 1.860 0 40 DDAB CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 155503797 FZWGJJHRAVNHMT-HIFRSBDPSA-N 313.405 1.726 0 40 DDAB CC(C)NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864309 GIOIVHFFQIFOQR-CYBMUJFWSA-N 309.435 1.526 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ccc(O)nn3)CC2)c1C 536785 HZPPVERIEOQEMV-UHFFFAOYSA-N 312.373 1.761 0 40 DDAB CS(=O)(=O)N1CCC2(CN(C(=O)CC3=CCCCC3)C2)C1 2055806548 BMPWORQXECGDRH-UHFFFAOYSA-N 312.435 1.371 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NCC1CCN(C)CC1 22999051 LGZNIHNEJPBGJQ-UHFFFAOYSA-N 303.406 1.646 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC[C@H](n3ccnn3)C2)cc1 206925885 LAAWOFIUAKPHBD-ZDUSSCGKSA-N 300.318 1.152 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)nn1 575611858 YOYMEBIBXLFUFG-NSHDSACASA-N 318.358 1.600 0 40 DDAB Cc1cccn2c(=O)c(C(=O)NCCCOC(C)C)c(O)nc12 15882459 UFLXXXHBLBIAAD-UHFFFAOYSA-N 319.361 1.253 0 40 DDAB Cn1c(COc2cccc3c2OC(C)(C)C3)cc(=O)n(C)c1=O 40477980 QFQZXAORTNXGRW-UHFFFAOYSA-N 316.357 1.377 0 40 DDAB CN(C)c1ncccc1CNC(=O)c1ccc2c(c1)CCC(=O)N2 40525134 YCLGYVRNPCTRQU-UHFFFAOYSA-N 324.384 1.962 0 40 DDAB O=C(CCc1ccco1)NC[C@]1(N2CCOCC2)CCSC1 31937672 HKDWJBSRFCVCLM-MRXNPFEDSA-N 324.446 1.536 0 40 DDAB C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 2436787 PZALPEVIQLMHHT-VIFPVBQESA-N 300.355 1.223 0 40 DDAB NC(=O)[C@H]1CC(C(=O)NCc2ccco2)=NN1c1ccccc1 29106945 AINJLDHCNTXVSS-CQSZACIVSA-N 312.329 1.016 0 40 DDAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)N(C)C 45856343 GURYSDRSKDQETQ-IUCAKERBSA-N 321.402 1.326 0 40 DDAB CCc1nc(CC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OC)cs1 101177212 DKRIGCREJPMUSM-CHPZLBCBSA-N 322.430 1.952 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(OC(C)C)cc1 3486085 VYJCNYKWGFMXMS-UHFFFAOYSA-N 322.361 1.866 0 40 DDAB CCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccccc31)[C@@H]2O 32124538 XNXGMARVRYBHRQ-BMWKDGKBSA-N 313.401 1.200 0 40 DDAB biogenic COc1cccc(CO[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 32488231 GFSWOGDKLGYUMH-LBPRGKRZSA-N 320.389 1.324 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(F)c1 4974114 FJYCXNNHPZYQLQ-UHFFFAOYSA-N 316.288 1.809 0 40 DDAB CCN(CC)C(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 6629779 JGYOVZIEYVIZKW-UHFFFAOYSA-N 307.369 1.343 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7212217 PJOUSOZNBGFBOI-UHFFFAOYSA-N 323.414 1.749 0 40 DDAB O=C(O)CC[C@@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 218712349 SFLCIHJTRWCZID-VIFPVBQESA-N 316.235 1.995 0 40 DDAB NS(=O)(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 71903204 LLJYEZJXVNMXLO-NSHDSACASA-N 323.340 1.111 0 40 DDAB Cc1csc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)n1 29780033 ILERROQLNDZRPJ-GFCCVEGCSA-N 317.418 1.774 0 40 DDAB CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H](C)C(C)C 102380035 UNNISLAWQFXQRB-GADBESIXSA-N 318.417 1.687 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nnc2ccccc2c1=O 2646732 YVFFSHWRWYWRGN-DGCLKSJQSA-N 300.362 1.486 0 40 DDAB CSc1ccccc1NC(=O)CCN1CCC[C@H](C(N)=O)C1 32870795 TXGFBDNAQQSNDC-LBPRGKRZSA-N 321.446 1.934 0 40 DDAB COC(=O)c1oc(CNC2(CO)Cc3ccccc3C2)cc1C 71907435 YBDSQUZRRZJTNS-UHFFFAOYSA-N 315.369 1.994 0 40 DDAB O=C([C@H]1CCCN1C(=O)CC1=CCCCC1)N1CCOCC1 71900228 WROQCIFFNSYUOU-OAHLLOKOSA-N 306.406 1.727 0 40 DDAB CN(C)CCCNc1c(NCc2cccc(Cl)c2)c(=O)c1=O 101685025 QTXJPERAHBXWFO-UHFFFAOYSA-N 321.808 1.912 0 40 DDAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(N)=O)cc1 9301719 OXIHWGKLLKTCSS-SNVBAGLBSA-N 317.370 1.919 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)NCCc1cccs1 9364568 SZNRFPCXZJKIBE-UHFFFAOYSA-N 319.411 1.878 0 40 DDAB O=C(CCN1CCN(c2nccs2)CC1)NC1CCCC1 60466572 POPIQMAFOCFRSZ-UHFFFAOYSA-N 308.451 1.714 0 40 DDAB O=C(Cc1ccsc1)NC1CCN(c2ncccn2)CC1 46597371 VYFYZYHZBLKIGJ-UHFFFAOYSA-N 302.403 1.866 0 40 DDAB CC(=O)c1ccc(NC(=O)CCN2CCC(C(N)=O)CC2)cc1 22198065 VTLWOGYCFOUSMC-UHFFFAOYSA-N 317.389 1.415 0 40 DDAB CCOc1ccc(Sc2nc(Cl)nc(N(C)C)n2)nn1 27532558 QUQJCTNDEUGGKK-UHFFFAOYSA-N 312.786 1.931 0 40 DDAB C[C@]1(NC(=O)c2cc3ccccc3oc2=O)CCS(=O)(=O)C1 22548948 VPCYODLNKPERPF-HNNXBMFYSA-N 321.354 1.100 0 40 DDAB CS(=O)(=O)Cc1ccc(C(=O)NCC[C@H]2CCCO2)cc1 23189394 MDXXEHLKAPQWEB-CQSZACIVSA-N 311.403 1.530 0 40 DDAB Cc1cccc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 23290004 ANQPPUCIBNJWQB-INIZCTEOSA-N 308.447 1.300 0 40 DDAB Cc1n[nH]c(O)c1C(c1ccc(O)cc1O)c1c(C)n[nH]c1O 113864873 UKRVLLPQDAXUNM-UHFFFAOYSA-N 316.317 1.752 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC1 54720689 BXWPZLCRODENIA-UHFFFAOYSA-N 302.783 1.529 0 40 DDAB O=C(NCc1ccccc1)N[C@@H]1CCCc2c1cnn2CCO 47284046 CBWRDWQCNRUQQS-OAHLLOKOSA-N 314.389 1.752 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccc2c(c1)OCO2 42841512 ABTFMYCTTLICSR-CYBMUJFWSA-N 306.362 1.983 0 40 DDAB COCCn1nc(C(=O)Nc2ccc(SC)cc2)ccc1=O 24392149 PLRIKGFWQVHBFW-UHFFFAOYSA-N 319.386 1.864 0 40 DDAB CN1CCN(C(=O)CN2C(=O)C(C)(C)c3ccccc32)CC1 57355626 IAUQFLBPUSGECZ-UHFFFAOYSA-N 301.390 1.085 0 40 DDAB CCC[C@]1(C)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 58984375 QHKZYPMFEJWBHZ-INIZCTEOSA-N 303.362 1.413 0 40 DDAB Cc1cc(CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)no1 25135280 MMRKNEFGYMDZQM-STQMWFEESA-N 319.361 1.117 0 40 DDAB C[C@H](Nc1cccc(N2CCOCC2)c1)C(=O)N1CCOCC1 56206364 FPXORVAFCRFLQT-AWEZNQCLSA-N 319.405 1.182 0 40 DDAB Cc1csc(NC(=O)CN2CCN(c3ncccn3)CC2)n1 26898173 KRPNSUMQEMQZSR-UHFFFAOYSA-N 318.406 1.002 0 40 DDAB COc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)C)cc1 57630104 YFPYRDHNGRAGAD-UHFFFAOYSA-N 301.364 1.427 0 40 DDAB CCOCCO[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 44979702 PMTXKFKSHZTWJY-MNOVXSKESA-N 322.361 1.786 0 40 DDAB O=C(Nc1ccccn1)C1CCN(C(=O)C(F)(F)F)CC1 58401623 OBHXTHIGNDYWEW-UHFFFAOYSA-N 301.268 1.821 0 40 DDAB CCOc1ncccc1C(=O)OCc1ccc(C(N)=O)cc1 16746147 BHRBONCPNUUIDW-UHFFFAOYSA-N 300.314 1.936 0 40 DDAB Cn1cnc2c1c(=O)n(Cc1ccc(Cl)s1)c(=O)n2C 69150572 FHPOTYSXPNCOCM-UHFFFAOYSA-N 310.766 1.197 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2)C1 48468163 DARFIGQMYQORCG-AWEZNQCLSA-N 320.389 1.975 0 40 DDAB CCc1nnc2n1CCN(Cc1nnc(Cc3ccccc3)o1)C2 69596539 SIRGGSYFIPSISW-UHFFFAOYSA-N 324.388 1.830 0 40 DDAB C[C@@H]1CN(CC2CCCC2)CCN1c1ccc2nncn2n1 69458742 SLYOOWVBJOKKLO-CYBMUJFWSA-N 300.410 1.825 0 40 DDAB Cc1ccccc1CN1CCN(CCCC(=O)NC(N)=O)CC1 64431386 DPYGSUWUAXDNMT-UHFFFAOYSA-N 318.421 1.088 0 40 DDAB O=C(CCn1ccc2ccc(F)cc21)N[C@H]1C=CS(=O)(=O)C1 13693650 SUOZHJDONXVPAN-ZDUSSCGKSA-N 322.361 1.597 0 40 DDAB Cc1ccc2c(C)c(CCC(=O)O[C@H](C)C(N)=O)c(=O)oc2c1 17264228 FQCYJRXFXHDAKA-LLVKDONJSA-N 317.341 1.759 0 40 DDAB Cn1cc(CN2CCCN(C(=O)COC3CCCC3)CC2)cn1 69652452 QWYMKSZXXDOECD-UHFFFAOYSA-N 320.437 1.414 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2cccnc2)n1 69624577 XCAIXTFJIAHIEX-HNNXBMFYSA-N 314.393 1.393 0 40 DDAB COc1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1 13937995 RFROCQRKLHFMLS-UHFFFAOYSA-N 319.342 1.710 0 40 DDAB Cc1cc(C(=O)NCCN2CCc3sccc3C2)n(C)n1 65410337 CJOIEJZXFUKSBW-UHFFFAOYSA-N 304.419 1.578 0 40 DDAB Cc1cc(C)cc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 14084773 RQKQLLANEKQQFB-UHFFFAOYSA-N 323.352 1.945 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1 17959447 VINAHRNJPARLBK-SECBINFHSA-N 307.737 1.067 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O 14112666 OAKIZTYKJPPSLN-LLVKDONJSA-N 319.361 1.737 0 40 DDAB COC(=O)c1cc(F)ccc1CN1C(=O)N[C@@H](C(C)C)C1=O 69809961 MQWVKERPRQZVJP-LBPRGKRZSA-N 308.309 1.689 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1nc(-c2ccccc2)n[nH]1 71286453 HCZIXSADBLNRLE-VHSXEESVSA-N 300.318 1.767 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccccc1 18266108 GBGQATNOMGAAJF-LBPRGKRZSA-N 312.325 1.551 0 40 DDAB biogenic C[C@@H]1Cc2ccccc2N1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7114858 BEFGRFRPLFJVNB-TZMCWYRMSA-N 322.430 1.083 0 40 DDAB COCc1ccc(CN2CCC[C@H]2C(=O)N2CCSCC2)o1 92672071 RWTUILBSVFDQTG-HNNXBMFYSA-N 324.446 1.966 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2c(F)cccc2F)n1 16039548 IHJWEYBDCNZBFE-UHFFFAOYSA-N 312.301 1.361 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CCCN(CCn3cccn3)C2)nc1 80927443 FFZRYHHAKYYLHX-HNNXBMFYSA-N 313.405 1.937 0 40 DDAB NC(=O)[C@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 92735465 NCRJSEGZJLUCID-CYBMUJFWSA-N 320.780 1.416 0 40 DDAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708131 GYZMIBGUIIKSRB-UHFFFAOYSA-N 317.389 1.824 0 40 DDAB CCc1ccc(NC(=O)C(=O)NCc2ccccc2CO)cc1 72079211 QKBWGAOGFRSVQL-UHFFFAOYSA-N 312.369 1.996 0 40 DDAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C1CC1 19819720 PBAYYCVFWURGTM-CQSZACIVSA-N 318.373 1.315 0 40 DDAB CN1CCC(CNC(=O)c2nccn2C)(N2CCCCC2)CC1 96441339 ILZYMSJLGRDFDT-UHFFFAOYSA-N 319.453 1.100 0 40 DDAB NC(=O)CN1CCCN(C(=O)CCc2ccc(Cl)cc2)CC1 71829359 JJXBITQFVNBLHU-UHFFFAOYSA-N 323.824 1.292 0 40 DDAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)[C@@H]1CCOC1 71894326 HJNQEGVZZDKHOP-FRRDWIJNSA-N 312.410 1.879 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 71871174 OSHZGQFXQGBEKX-NSHDSACASA-N 305.353 1.446 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1 72276529 HQPPMZWPYGFEFA-AWEZNQCLSA-N 324.388 1.744 0 40 DDAB C[C@@H]1Sc2ccccc2N(C(=O)Cn2ncn(C)c2=O)[C@H]1C 97049420 MEDCMYAOWQBSSS-QWRGUYRKSA-N 318.402 1.498 0 40 DDAB Cc1nn(CC(=O)NCc2ccccn2)c(C)c1Br 27981648 QUJIABLXWFJRTO-UHFFFAOYSA-N 323.194 1.974 0 40 DDAB COC(=O)[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1ccccc1C 97148066 HGNYKOQFFVQSIW-BBRMVZONSA-N 314.389 1.714 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@H](C)C(=O)OC(C)C)cs1 72301389 PUFMFWSTDOMSJN-QMMMGPOBSA-N 313.379 1.419 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)n[nH]1)CC2 89986416 MITXHXCMYNCZDY-CABCVRRESA-N 321.421 1.925 0 40 DDAB O=c1cc(CN2CCC(c3cn[nH]c3)CC2)nc2sccn12 97203204 MAOUMKYJYFDTOS-UHFFFAOYSA-N 315.402 1.859 0 40 DDAB CC(C)OCC[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1 75610396 SGDPDAYCTWGXDZ-CYBMUJFWSA-N 315.439 1.778 0 40 DDAB c1ccc(CO[C@H]2CCN(c3cc(-n4ccnc4)ncn3)C2)nc1 84610114 ZRXXLIQXGIFKEO-HNNXBMFYSA-N 322.372 1.853 0 40 DDAB C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)[C@@H]1CCCO1 84636570 YQYUMYRBTQGECM-KBPBESRZSA-N 311.426 1.646 0 40 DDAB CO[C@H](C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045082 KXAQDKDSCYNDCY-KBPBESRZSA-N 316.361 1.401 0 40 DDAB Cc1ncsc1C(=O)NC[C@H](O)C(=O)OCc1ccccc1 95458581 DTOBQKRRNPCSDH-LBPRGKRZSA-N 320.370 1.286 0 40 DDAB NC(=O)c1cncc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 95408522 MKXSXVZPAUQNPT-LLVKDONJSA-N 322.372 1.836 0 40 DDAB O=C1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCN1 73552425 ANHFBPRYMWREOL-MNOVXSKESA-N 312.291 1.767 0 40 DDAB CCCCc1nc(CN2CCc3nn(C)c(=O)cc3C2)no1 78620900 CPBFZLVCTADMNU-UHFFFAOYSA-N 303.366 1.064 0 40 DDAB OC[C@H]1CCCN1C[C@@H]1CCCN1Cc1noc(C2CC2)n1 85857457 WMPDGDGQVAJNIS-UONOGXRCSA-N 306.410 1.368 0 40 DDAB Cc1ccc(OCC(=O)OCC(=O)Nc2cc(C)on2)cc1 28628056 MULKVYUSEJOBST-UHFFFAOYSA-N 304.302 1.852 0 40 DDAB O=C(COc1ccccc1F)NCc1ccc2[nH]c(=O)[nH]c2c1 74998281 XHDSGLPLAXQACX-UHFFFAOYSA-N 315.304 1.691 0 40 DDAB Cc1cc(S(=O)(=O)NC(=O)c2cnn3c2CCC3)c(C)o1 408490414 ARKJRHMCINHPTP-UHFFFAOYSA-N 309.347 1.158 0 40 DDAB COc1ccc(/C=C/C(=O)NCC(=O)O)cc1Br 62714502 DEFTWJRFPLSHND-HWKANZROSA-N 314.135 1.672 0 40 DDAB CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 72242217 QMJRRFOXNVIUDV-HOCLYGCPSA-N 319.380 1.119 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)COC 218544665 VIEAGEMYHAWIPR-HZSPNIEDSA-N 301.383 1.318 0 40 DDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@@H]1c1cccc(F)c1 72241775 WNOMYFQZIMMJEY-KBPBESRZSA-N 319.292 1.351 0 40 DDAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2CCO)n1 72382628 WXTUMLNKALGSMY-AWEZNQCLSA-N 314.393 1.838 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)cs1 72243239 IAHWIOQUCSCWDF-JTQLQIEISA-N 311.384 1.925 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)CCc1nc2ccccc2[nH]1 32819111 ONFMCYRHBYWVOO-LLVKDONJSA-N 302.378 1.526 0 40 DDAB COC(=O)c1c(I)cnn1CC(C)C 72339508 YPXPDHAHAOADMR-UHFFFAOYSA-N 308.119 1.930 0 40 DDAB O[C@H]1CCCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)C1 72394689 CALOHMMDVSFJOH-AWEZNQCLSA-N 314.433 1.987 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)cc1 521394591 MBDMMRDBQYEJNN-OLZOCXBDSA-N 312.435 1.974 0 40 DDAB CCn1nc(C)c(CCC(=O)NCc2cnn(C)c2C)c1C 72240465 SQEMWIUESVDAIK-UHFFFAOYSA-N 303.410 1.811 0 40 DDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1 568398393 XAAROMJOGXAYNQ-NWDGAFQWSA-N 304.350 1.496 0 40 DDAB CNS(=O)(=O)CCC[S@](=O)Cc1ccc(F)cc1C 195579447 KNBLSVMLQNLKJF-SFHVURJKSA-N 307.412 1.322 0 40 DDAB O=C(Cc1ccccc1)NCc1ccnc(N2CCOCC2)n1 224217046 QXHICFHOUCADCA-UHFFFAOYSA-N 312.373 1.172 0 40 DDAB CCCC[C@H](N)C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 195554269 ODHVPDSZISEVSY-HOTGVXAUSA-N 310.486 1.132 0 40 DDAB Oc1ncnc2c(N3CCOC[C@H](C4CCC4)C3)nccc12 572781499 QUCHZTMUHZDJOC-GFCCVEGCSA-N 300.362 1.983 0 40 DDAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859713 XMNXMXSOWKTVHA-JTQLQIEISA-N 322.386 1.523 0 40 DDAB O=c1c2cccnc2cnn1C[C@H](O)COCc1cccs1 96419818 HYPJBZYYIBOPRY-NSHDSACASA-N 317.370 1.431 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2 96158470 XNKBCXBZWBURTN-UHFFFAOYSA-N 317.437 1.247 0 40 DDAB Fc1cnc(N[C@@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1 96072825 VMJFDOFAMRDEOX-SWLSCSKDSA-N 316.340 1.256 0 40 DDAB COc1ccc(CN2C=C(C(=O)O)C(C)=NS2(=O)=O)cc1 96031993 XCNIAOLLILGZSG-UHFFFAOYSA-N 310.331 1.185 0 40 DDAB CN(C)CC(=O)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 96109203 KMHIRKLRJIZTPC-AEFFLSMTSA-N 324.465 1.620 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3cccs3)[C@@H]2C1 96109401 LLPFTHCMRRNDSS-ZNMIVQPWSA-N 308.447 1.858 0 40 DDAB CCc1nnc(S[C@@H]2CCN(CC(F)(F)F)C2=O)n1C 96410885 QDTUKDCJRXVFKF-SSDOTTSWSA-N 308.329 1.633 0 40 DDAB OCCOCc1nnn2c1CN(Cc1cccs1)CCC2 96256064 FEWDTHHLLLNEFQ-UHFFFAOYSA-N 308.407 1.254 0 40 DDAB COC(=O)c1sc(NC(=O)[C@@H]2CC(=O)OC2(C)C)nc1C 96114587 RNPBIVYPTBKDAK-ZETCQYMHSA-N 312.347 1.518 0 40 DDAB biogenic Cc1nccn1CCCCNC(=O)NC1CCN(C2CC2)CC1 96437567 OAOUHZYLNURPGK-UHFFFAOYSA-N 319.453 1.898 0 40 DDAB Cc1cc(C(=O)NCCC(=O)NCc2ccccc2)n(C)n1 96192459 BPDKJJPZTYWONU-UHFFFAOYSA-N 300.362 1.165 0 40 DDAB COc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1-n1cnnn1 97237768 QJKDXTKORITDAD-NEPJUHHUSA-N 315.377 1.932 0 40 DDAB COc1ncnc2c1CN(C[C@@H](O)COCc1ccco1)CC2 97200463 MUXCDIJNGCWENB-GFCCVEGCSA-N 319.361 1.014 0 40 DDAB CC(C)C(=O)N1C[C@H]2CN(S(C)(=O)=O)c3ccccc3[C@@H]2C1 96251763 NLIWWNAWIOZILV-GXTWGEPZSA-N 322.430 1.664 0 40 DDAB CC(C)[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc2N1 96449138 TYZNBDKLFOZHKT-TZMCWYRMSA-N 322.430 1.904 0 40 DDAB CS[C@H]1CCC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 96409444 RYBVEBUPCSTGOK-RYUDHWBXSA-N 309.435 1.801 0 40 DDAB CC(C)c1nccn1CCC(=O)N1CCOC[C@@H]1c1ccn[nH]1 257250546 JMYSNEGNLJGYRN-CQSZACIVSA-N 317.393 1.720 0 40 DDAB COCCN1CCN(Cc2ccnc([C@H]3CCCO3)n2)CC1 257247230 IYBOJSLWPZGATF-OAHLLOKOSA-N 306.410 1.092 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)Cc2ccc3ccccc3c2)CCO1 257276909 NVQOEPQQLQHMPC-GOSISDBHSA-N 312.369 1.485 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)CCCn2nc(C)cc2C)[C@H]1O 257278769 ODPQQKNMHZHWMW-IIAWOOMASA-N 309.410 1.325 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3ccnc3C)C2)n1 257327797 XCTYEKBQCVRKNY-CQSZACIVSA-N 301.394 1.640 0 40 DDAB CCOCC(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 257316064 VDYSTJOBSCKHMM-ZFWWWQNUSA-N 308.378 1.157 0 40 DDAB CCn1nccc1-c1cnc([C@@H]2CCCN2C(=O)COC)cn1 257325742 WUFNVHMAQSMWKR-AWEZNQCLSA-N 315.377 1.670 0 40 DDAB CC(C)C(=O)N1CC2(CC[C@H](CNC(=O)CC3CC3)CO2)C1 575406579 YNBWLBYRMVULMW-CQSZACIVSA-N 308.422 1.566 0 40 DDAB CCCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585097142 GBUAFAZEWHXPAI-CYBMUJFWSA-N 316.405 1.527 0 40 DDAB Cc1cnc(C[C@@H]2COCCN(C(=O)c3coc(C)n3)C2)cn1 72388254 PJNPIXSSLCBUTE-ZDUSSCGKSA-N 316.361 1.413 0 40 DDAB C[C@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H]1N(C)C 76050632 HOZVFPLPCGGVLJ-FZMZJTMJSA-N 319.434 1.410 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCSC[C@H]2CO)cc1 95461962 OEBDJZDYLOJSLQ-LLVKDONJSA-N 317.432 1.184 0 40 DDAB COC(=O)N1C=C[C@H]2ON=C(S(=O)(=O)c3ccccc3)[C@H]2C1 5760482 LMVFITDZDJFDCX-NWDGAFQWSA-N 322.342 1.385 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 14199596 ADTMPEPJDIXDGI-UHFFFAOYSA-N 304.371 1.525 0 40 DDAB Cn1cc(CN2CCc3nc4sccc4c(=O)n3CC2)cn1 19290710 OWSUBFVRESBYOT-UHFFFAOYSA-N 315.402 1.250 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccnc1 11006337 BEMLHLIITBAOOA-CYBMUJFWSA-N 302.355 1.730 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1 1889104430 VAEZQUWJEAQBKT-CYBMUJFWSA-N 321.764 1.965 0 40 DDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@H]1CCCO1 27849905 FHMRMHRVIFBDIS-IUODEOHRSA-N 315.373 1.853 0 40 DDAB O=c1c(=O)n(-c2cccc(F)c2)ccn1CC1CCOCC1 2086928918 XAHCTUPUTVYPEE-UHFFFAOYSA-N 304.321 1.565 0 40 DDAB COc1cccc(CNC(=O)CSc2cc(C)[nH]c(=O)n2)c1 4314745 RYQROMFXRQMDFS-UHFFFAOYSA-N 319.386 1.495 0 40 DDAB CC(=O)[C@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 6646070 JMYRQFURESEJJS-WELJMZOKSA-N 311.337 1.416 0 40 DDAB Cc1nnc2c(N3CCC(N(C)c4ccccn4)CC3)nccn12 1889133948 JHTONAAAICHBFB-UHFFFAOYSA-N 323.404 1.933 0 40 DDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)c1cccc(C)c1 17306757 VBQFQWVOPWITFB-UHFFFAOYSA-N 323.374 1.720 0 40 DDAB COc1cc(C(=O)NCCn2ccnc2)cc(Cl)c1OC 40457604 XGAJVRDBYBUNRE-UHFFFAOYSA-N 309.753 1.984 0 40 DDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cnccn1 40493894 NSRPSMAOQYDKPM-NSHDSACASA-N 319.386 1.713 0 40 DDAB Cn1c(Cl)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 522845 CWHPFMFTKGBCEJ-UHFFFAOYSA-N 322.727 1.275 0 40 DDAB COCC(=O)N1CCN([C@H](C)c2nc(-c3ccco3)no2)CC1 40540701 XSTVHGZNHDMFTD-LLVKDONJSA-N 320.349 1.181 0 40 DDAB Cc1ccc(O)c(S(=O)(=O)Nc2ccccc2C(N)=O)c1 40555291 DGCRNVFTBRTPNJ-UHFFFAOYSA-N 306.343 1.600 0 40 DDAB NC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 6290307 QKKQIRIEKYHGQT-UHFFFAOYSA-N 314.297 1.532 0 40 DDAB CCN1C(=O)N/C(=C/c2ccccc2OCC(=O)OC)C1=O 6951870 RCKKZHHADVKVGG-DHZHZOJOSA-N 304.302 1.151 0 40 DDAB O=C(CC[C@H]1CCCO1)NCc1ccc(N2CCOCC2)nc1 32296001 WACRYLCIFCNCLN-OAHLLOKOSA-N 319.405 1.494 0 40 DDAB CCN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)C1CC1 32330638 WQYIRSZTHRWQNV-UHFFFAOYSA-N 321.768 1.093 0 40 DDAB C[C@H](Sc1ncccn1)C(=O)Nc1ccc(C(N)=O)cc1 6913064 OWDFVOQYYQNIHQ-VIFPVBQESA-N 302.359 1.695 0 40 DDAB Nc1nnnn1NCc1ccc(OCc2cccs2)cc1 7602629 AEAFCVMLAHTPBD-UHFFFAOYSA-N 302.363 1.640 0 40 DDAB CC(C)S(=O)(=O)n1c(N)nc2ccc(Br)cc21 386948 GTAFFSCXOYJHSY-UHFFFAOYSA-N 318.196 1.967 0 40 DDAB CC(C)N1CCN(CC(=O)Nc2cccc3nonc23)CC1 32578590 YXKBQPGQLWIBMF-UHFFFAOYSA-N 303.366 1.187 0 40 DDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)[C@H]1CC[C@H](Cn2cnnn2)CC1 103469933 PBIWYSJSBSOPCW-OWYFMNJBSA-N 315.421 1.808 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 29825529 RZIARNRGIIZAGL-WDEREUQCSA-N 316.361 1.591 0 40 DDAB CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCNCC2)CC1 58041042 AVIZMDYPFAPLEH-UHFFFAOYSA-N 311.426 1.502 0 40 DDAB Cc1ccn2c(=O)c(C(=O)NC3CCCCC3)c(O)nc2c1 9830165 YEZQHKUHVJQDBC-UHFFFAOYSA-N 301.346 1.771 0 40 DDAB Cc1nn(CC(=O)N[C@@H](C)[C@H]2CCCO2)cc1Br 2780201 WNYYJZBDILVNIB-GXSJLCMTSA-N 316.199 1.638 0 40 DDAB CC(=O)N1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1 46823535 VBPGKNIWWXADFN-UHFFFAOYSA-N 321.446 1.131 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 53895125 CFAZBQSTZWKQJZ-VIFPVBQESA-N 316.279 1.418 0 40 DDAB CO[C@H]1C[C@H]2[C@H](OC(=O)c3ccccc3)[C@@H](CN2C(C)=O)O1 104200301 CREDLTBHVJDDDE-YJNKXOJESA-N 305.330 1.204 0 40 DDAB O=C(CN1CCN(c2ccccc2Cl)CC1)N1CCNC1=O 34867963 NJXVCUGXMLZYNZ-UHFFFAOYSA-N 322.796 1.014 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2ccccc2)CC1 25594238 HWWGYUQARJJKNK-UHFFFAOYSA-N 312.417 1.995 0 40 DDAB CCc1cc(NC(=O)Cn2nc(C)c3ccccc3c2=O)[nH]n1 58267122 BCNRRDPWOJUEQW-UHFFFAOYSA-N 311.345 1.629 0 40 DDAB COc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cn1 12615947 BZCBBYZVOXIJBO-UHFFFAOYSA-N 312.281 1.501 0 40 DDAB CCCc1c(C(=O)NCCCC(=O)OC)[nH]c(C)c1C(=O)OC 48164823 VJEFIOUNAYEGJF-UHFFFAOYSA-N 324.377 1.745 0 40 DDAB O=C(OCc1nccc[n+]1[O-])c1ccc(Br)s1 58441847 RHSXLTDERYGHHN-UHFFFAOYSA-N 315.148 1.896 0 40 DDAB Cn1c(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cc(=O)n(C)c1=O 58429410 IRQTXAUIPUGTFH-KBPBESRZSA-N 307.438 1.779 0 40 DDAB O=C(O)c1ccc(F)c(S(=O)(=O)NCc2cccnc2)c1 8030004 ZQOHNAZSGUOVTM-UHFFFAOYSA-N 310.306 1.397 0 40 DDAB O=C(OCC(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 3320016 YJILXHGPDYVGPN-UHFFFAOYSA-N 305.330 1.975 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)on1 48230500 HVENRLICBLTPLE-UHFFFAOYSA-N 315.377 1.542 0 40 DDAB COc1cccc(N2C[C@@H](C(=O)Nc3ncccn3)CC2=O)c1 8247235 AYJNYZVVZMONFQ-NSHDSACASA-N 312.329 1.477 0 40 DDAB CC(C)[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NC(N)=O 5037123 MISVVXUGBVQJOM-LBPRGKRZSA-N 303.318 1.544 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F 27061578 PHGZSFZKKALFPZ-MRVPVSSYSA-N 307.293 1.622 0 40 DDAB CC(C)[C@@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 5053450 QDZORCXREJGBKR-SNVBAGLBSA-N 321.406 1.621 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OCCO2 4339175 UAHCFSATGOVTIW-SNVBAGLBSA-N 311.359 1.221 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 65499955 CKQZXVSBEIXKBK-ZIAGYGMSSA-N 304.390 1.773 0 40 DDAB CCc1noc([C@@H](C)N(C)CC(=O)Nc2cccc(C)n2)n1 65589310 PYSSRXBLXJYOQL-LLVKDONJSA-N 303.366 1.967 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@H]3C[C@H](C)OC3=O)CC2)cc1 65552983 NTJUZZKFHXRERN-HOCLYGCPSA-N 316.401 1.386 0 40 DDAB Cc1cccc(C)c1N1CCN(C(=O)CN2CCCC2=O)CC1 5394570 CEKSOYRGQQWHCL-UHFFFAOYSA-N 315.417 1.574 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1nccs1 14105020 VOXTXNVDQXFGJC-UHFFFAOYSA-N 303.265 1.962 0 40 DDAB CCCc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1 69739842 ZSSYUIWDGNXNPG-HNNXBMFYSA-N 324.446 1.793 0 40 DDAB NC(=O)c1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2 6639252 JPMRXQQFXLJPSJ-UHFFFAOYSA-N 322.386 1.618 0 40 DDAB Cc1cccc(-c2[nH]ncc2CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 92006812 JCFUOOMCOPSBAP-IUODEOHRSA-N 314.389 1.460 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2cc(F)ccc2C)CC1 6846477 CRKGYVYOSZIKGK-UHFFFAOYSA-N 314.382 1.377 0 40 DDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1F 4958947 VYRXVECPQYHHNX-UHFFFAOYSA-N 319.313 1.853 0 40 DDAB CCNC(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 7502770 VLGZWLCUVGRTLV-NSHDSACASA-N 324.377 1.878 0 40 DDAB OCCN(Cc1ccccc1)C[C@@H](O)COC[C@@H]1CCCO1 68048913 HFQOHCQKYAXMMO-SJORKVTESA-N 309.406 1.037 0 40 DDAB COc1ccc(Cl)cc1[C@@]1(CCC(=O)O)NC(=O)NC1=O 71669908 PSQBJNPEPVHUCP-CYBMUJFWSA-N 312.709 1.248 0 40 DDAB C[C@H](C(=O)NCCNC(=O)c1ccccc1F)C1CCOCC1 89894372 SLIOZCYSYUVFRQ-LBPRGKRZSA-N 322.380 1.734 0 40 DDAB O=C(NCc1ccnc(N2CCCCC2)c1)NC[C@H]1CCOC1 89884804 IGTYAPXAQUAXQI-OAHLLOKOSA-N 318.421 1.908 0 40 DDAB CCOCC(=O)NCc1ccccc1CN1CCN(C)CC1 71851686 MZALPNSOYLYRSJ-UHFFFAOYSA-N 305.422 1.087 0 40 DDAB C[C@H](Cn1cccn1)NC[C@@H](O)CN1CCc2ccccc2C1 71877177 IENVCDXVNNQILO-CRAIPNDOSA-N 314.433 1.280 0 40 DDAB O[C@@H](COCc1ccccc1)CN1CCC[C@@H]1Cn1cccn1 71876979 HXDMZDSVEOLJIM-QZTJIDSGSA-N 315.417 1.925 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N1CCC(n2ccnc2)CC1 71897226 IWFVMUAYARJPDF-GFCCVEGCSA-N 300.366 1.337 0 40 DDAB Cn1c([C@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)n[nH]c1=S 72285520 ZJJJZKMBHIOXRR-QMMMGPOBSA-N 307.383 1.612 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1 72235295 PJYFPGMRZCRQBF-CYBMUJFWSA-N 319.365 1.434 0 40 DDAB CCn1cc(CNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cn1 72305808 FRLQJWGBOOAIPD-UHFFFAOYSA-N 321.768 1.977 0 40 DDAB COc1c(C)cnc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1C 76048767 HULCKZDOFSMBSE-AWEZNQCLSA-N 317.393 1.707 0 40 DDAB CCN(C(=O)c1cn(CC(N)=O)nn1)c1cccc2ccccc12 76059487 WNPKOXXLWRSYHO-UHFFFAOYSA-N 323.356 1.583 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1C 95396122 XUCWPQFIFMBBKH-ZWNOBZJWSA-N 307.394 1.598 0 40 DDAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccncc2F)cn1 95445989 YICAWKYTIXSYPP-LBPRGKRZSA-N 316.336 1.832 0 40 DDAB Cc1nc(Cl)cc(N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 95410435 AYMUHMCSEBDNQZ-SECBINFHSA-N 320.784 1.644 0 40 DDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCCOCC2)o1 78880342 AJBBBGXFZLQBOY-ZDUSSCGKSA-N 314.407 1.692 0 40 DDAB COC(=O)[C@@H](O)CNC(=O)c1oc2c(C)ccc(C)c2c1C 95452983 VACBLLOPJJYHKX-NSHDSACASA-N 305.330 1.622 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1=O 78935757 YTKKBUNJRHSDGA-PMPSAXMXSA-N 316.401 1.579 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 95955796 UBBGOXUWPACWDQ-CYBMUJFWSA-N 313.357 1.756 0 40 DDAB CCCN1C(=S)N[C@@H](c2cnn(C)c2)C(C(=O)OCC)=C1C 22356541 LLGHASSRSWRZJO-ZDUSSCGKSA-N 322.434 1.898 0 40 DDAB CCCCN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 60976854 ZTNRSLZQTZSBTR-UHFFFAOYSA-N 315.439 1.788 0 40 DDAB CC(C)n1nnnc1CNS(=O)(=O)c1ccc(Cl)cc1 72239351 JQNSYRVWGSUWKP-UHFFFAOYSA-N 315.786 1.386 0 40 DDAB COCC(=O)N[C@H](C(=O)N[C@H](C)c1cc(C)oc1C)C(C)C 78097454 ITGNESUETCOILY-ABAIWWIYSA-N 310.394 1.861 0 40 DDAB CCCc1noc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)n1 72599687 ZNHVLMVOQPGDEP-CQSZACIVSA-N 306.341 1.820 0 40 DDAB O=C(Cn1cc(I)cn1)NCC1CCC1 77962517 CLSDIKGXSPKMRR-UHFFFAOYSA-N 319.146 1.404 0 40 DDAB CSC[C@@H](C)NC(=O)c1cccc(CN2CCN(C)CC2)c1 73824676 IHFNSPAGYZLAIP-CQSZACIVSA-N 321.490 1.915 0 40 DDAB CN(C)CCNC(=O)C(=O)Nc1cccc(Br)c1 78701452 YRGDZBODSLPUKL-UHFFFAOYSA-N 314.183 1.065 0 40 DDAB O=c1occ(CN2CCSCC2)c(O)c1CN1CCCC1 79483998 RSIKSXUZGGTBLN-UHFFFAOYSA-N 310.419 1.490 0 40 DDAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F 72241592 OPLRPGOWEVPSJX-HUUCEWRRSA-N 308.353 1.640 0 40 DDAB Cc1nnc(NC(=O)c2ccc(C)c(C)c2-n2cnnn2)s1 71283439 WPRUGIZUEHCPAC-UHFFFAOYSA-N 315.362 1.691 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1C(=O)O 85344816 QRIIMEUPUIGYBM-LLVKDONJSA-N 315.347 1.081 0 40 DDAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 569527803 QQZYRQWEILYYNK-SEBNEYGDSA-N 322.449 1.547 0 40 DDAB Cn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)n1 130874007 SHTXAFOSCVADNV-CYBMUJFWSA-N 315.377 1.451 0 40 DDAB CCS(=O)(=O)c1ccc(NC[C@@](C)(O)c2cnn(C)c2)cc1 225519351 QCQRNBYEINFBMW-OAHLLOKOSA-N 323.418 1.533 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCc3ccc(C)o3)c(=O)nc2c1 226821722 QNICXCACVUZXET-UHFFFAOYSA-N 313.313 1.540 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccsc1)CC[C@H]2OC 96108523 IESDQBOTVCTTTC-RRFJBIMHSA-N 308.447 1.858 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@H](N)c1ccc(Cl)cc1Cl 96525264 LKOUWGFEAMZWMM-GHMZBOCLSA-N 312.218 1.789 0 40 DDAB C[C@H]1CN(C(=O)CN(C)[C@@H](CCO)c2ccccc2)C[C@H](C)O1 96441579 BQCPAODXEUXVLU-ZOBUZTSGSA-N 320.433 1.678 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 96055513 OXSCNDDICJOBTB-MELADBBJSA-N 305.378 1.621 0 40 DDAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccoc1 96055395 WCSZDUOVMNTLLJ-HRCADAONSA-N 322.405 1.364 0 40 DDAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1C 95477863 CPCZTMLWOFMEOB-SSDOTTSWSA-N 312.347 1.518 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cnn(C)c1 96200905 IGSATIAMYSFGSI-CABCVRRESA-N 318.446 1.869 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365414 ZCSYCHAKDVOYNY-CYBMUJFWSA-N 317.370 1.165 0 40 DDAB CN(C)C(=O)N[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 96185836 IZOGQTZHIDLVMR-MGPQQGTHSA-N 309.435 1.751 0 40 DDAB Cn1ncnc1CNC(=O)NCCOc1ccc(Cl)cc1 96437430 SKFRVDKBBRSFOY-UHFFFAOYSA-N 309.757 1.347 0 40 DDAB CC[C@@](O)(CNS(C)(=O)=O)c1ccc(Br)cc1 96472905 XWKSNBZPBYVXCC-LLVKDONJSA-N 322.224 1.596 0 40 DDAB Cn1cc(N2C[C@@]3(CCN(Cc4cccnc4)C3)CC2=O)cn1 96239299 NHVNUNNBJQXEJF-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB COc1ccccc1N1CC[C@H](N(C)[C@@H](C)C[S@@](C)=O)C1=O 248782874 VUOMMTJAUJHUMW-AHASJALOSA-N 324.446 1.499 0 40 DDAB O=C(c1ccsc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257285490 PHJJSEZMTTWVIN-VXGBXAGGSA-N 316.373 1.665 0 40 DDAB O=C(c1ccc(O)cc1)N1CCC[C@@](O)(CN2CCCC2)CC1 257230811 GEAORCMMJLXOIL-SFHVURJKSA-N 318.417 1.845 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3cnccn3)C2)s1 257245266 IOSLVTQBFWWTAP-CYBMUJFWSA-N 318.402 1.693 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCN(C1CCCCC1)C[C@@H]2O 257332199 XWFMVNYWMUHFOY-GJZGRUSLSA-N 316.467 1.180 0 40 DDAB c1cncc(CN2CC3(CC[C@H](CN4CCOCC4)CO3)C2)c1 253596887 XMTJRWQNHBBODE-QGZVFWFLSA-N 317.433 1.395 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3cccnn3)CCO2)n1 257338271 YWSCNEVFZPLJDZ-CQSZACIVSA-N 313.361 1.151 0 40 DDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2Cc2cc(C)on2)n1 257327534 XBTFBHSIJGMCLP-AWEZNQCLSA-N 317.393 1.721 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCO[C@@H](c2ccncc2)C1 257234415 GTKMNOMGIWIVGF-MRXNPFEDSA-N 323.356 1.426 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)NCc2ccc(F)cc2F)C1 257231236 GFWXWKDGGHWXRJ-HNNXBMFYSA-N 312.316 1.218 0 40 DDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)CCF)C2)OC1 575402806 CIUCHNHPXWMCBB-ZDUSSCGKSA-N 312.385 1.366 0 40 DDAB COCc1nnc2n1CCN(C(=O)C1CCSCC1)[C@@H]2C 585097435 LPTZAMCCEXESGP-SNVBAGLBSA-N 310.423 1.471 0 40 DDAB CN(C)C(=O)CN1CCC[C@]2(C1)CN(CC1CCCCC1)C2=O 585099624 SLIYQVMTVIDNIN-SFHVURJKSA-N 321.465 1.579 0 40 DDAB O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1Cc2cc(F)ccc2O1 585123855 HJIMPKJVQBJFKX-KCPJHIHWSA-N 317.320 1.499 0 40 DDAB OC[C@H](O)COCCCC(F)(F)C(F)(F)Br 1083808045 XDBBTOAOQFBHJZ-LURJTMIESA-N 313.085 1.759 0 40 DDAB C[C@@H](C(=O)N1CCN(Cc2cccs2)CC1)n1cccn1 44679924 MUAKHZXPUZRJSH-ZDUSSCGKSA-N 304.419 1.850 0 40 DDAB O=C(O)c1cc2ncccc2n1S(=O)(=O)c1ccccc1 953109765 OCHLSJNXWABDDU-UHFFFAOYSA-N 302.311 1.972 0 40 DDAB COCc1cccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 77991532 NOLMVZYENNTRGQ-ZDUSSCGKSA-N 303.280 1.972 0 40 DDAB CN1N=C(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CCC1=O 97527650 HEZKQBASMUVRPU-CQSZACIVSA-N 320.368 1.153 0 40 DDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5526986 IKGPJTBVFBEJHC-CLWVCHIJSA-N 315.369 1.877 0 40 DDAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)O 19619954 IPFVZGXFAOTXQF-BJMVGYQFSA-N 309.299 1.483 0 40 DDAB CC(C)(C)OC(=O)NC1CCN(C(=O)CCC(=O)O)CC1 19894280 SZTHXOJFNXFGLU-UHFFFAOYSA-N 300.355 1.367 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)o1 32913973 VERZKAJFKKLTOT-UHFFFAOYSA-N 300.380 1.592 0 40 DDAB CS(=O)(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 20275204 TURXGOPHHRXYHH-UHFFFAOYSA-N 306.790 1.556 0 40 DDAB O=C(c1cccnn1)N1CCC(O)(COc2ccccc2)CC1 2037905553 DTPOTMPYWIBKJG-UHFFFAOYSA-N 313.357 1.523 0 40 DDAB CCOC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 5139391 YVBOFLUIPYAOFE-UHFFFAOYSA-N 316.292 1.284 0 40 DDAB CNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C 12230588 HMVRZVXBVIRZRA-UHFFFAOYSA-N 304.321 1.621 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)Cn1c(=O)oc2ccccc21 21540530 GEYPAVBBEFEMKV-NSHDSACASA-N 300.314 1.935 0 40 DDAB NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 26421583 VIZFUPILPNZDGS-UHFFFAOYSA-N 323.404 1.112 0 40 DDAB O=C(NCC1CCN(c2cccnc2)CC1)NC1CCOCC1 225559100 LGMIPJJQKNJMSC-UHFFFAOYSA-N 318.421 1.776 0 40 DDAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccnc2)C1 225624218 CNXCROLTJCCINP-CQSZACIVSA-N 310.419 1.757 0 40 DDAB CN(C)[C@H]1CCCN(C(=O)c2csc(-c3nnc[nH]3)n2)C1 106363820 ADNHEIXPXBEAQZ-VIFPVBQESA-N 306.395 1.094 0 40 DDAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)cc1 40481295 NSLDBLMYQXOPIH-JXMROGBWSA-N 312.373 1.905 0 40 DDAB CCCc1nc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 40493290 CIAMWEXLGIKLPO-AWEZNQCLSA-N 323.462 1.919 0 40 DDAB OCC[C@H]1CN(C2CCOCC2)CCN1CCc1ccccc1 20452958 MLMUDCFJNVBRIM-IBGZPJMESA-N 318.461 1.777 0 40 DDAB COc1cc(C(C)=O)ccc1OCc1nc(N)nc(N(C)C)n1 16338375 ZXLRJFGMTARSJM-UHFFFAOYSA-N 317.349 1.310 0 40 DDAB Cc1c(C(=O)NCCCN(C)S(C)(=O)=O)oc2ccccc12 40515446 RGCALZSDZRMWLA-UHFFFAOYSA-N 324.402 1.753 0 40 DDAB C[C@@H](OCCCNS(=O)(=O)c1cnn(C)c1)c1ccccc1 40528086 YGXFVPPYULVYGI-CYBMUJFWSA-N 323.418 1.866 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cccnc1N1CCCC1 40534366 GVVUWFVRRYLCOL-CQSZACIVSA-N 318.421 1.132 0 40 DDAB Cc1c(C(=O)N2CCNC(=O)C2)cnn1-c1ccc(F)cc1F 40516578 SFMPLXAYYCYMFV-UHFFFAOYSA-N 320.299 1.031 0 40 DDAB COc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 4318862 GOJFKLRGAUBORJ-AWEZNQCLSA-N 318.329 1.860 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N(Cc1cccnc1)C1CC1 51874239 OIQHZSWYWRAFRE-UHFFFAOYSA-N 301.346 1.112 0 40 DDAB Cc1cnc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cn1 6348462 JTYYYJGZBJGWMG-UHFFFAOYSA-N 300.270 1.553 0 40 DDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6649258 OXMMCMZWPVDGLD-JTQLQIEISA-N 318.826 1.923 0 40 DDAB COc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3ncnn3C2)cc1 69521302 PFFCZSFYRNBFRF-CQSZACIVSA-N 324.388 1.781 0 40 DDAB O=CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 10284845 FZKBCZNYXHIQMT-UHFFFAOYSA-N 315.417 1.587 0 40 DDAB O=C(O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 11801503 CFTNFPGJYZBADA-QMMMGPOBSA-N 312.372 1.669 0 40 DDAB CCC(CC)NC(=O)CSc1nncn1CCCOC 32738721 ULAKTYBUKDZZBL-UHFFFAOYSA-N 300.428 1.712 0 40 DDAB C[C@H](NC(=O)COn1nnc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 108884635 OCNKOKCBEKYTDS-XDQVBPFNSA-N 314.389 1.801 0 40 DDAB CCNC(=O)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O 2625776 OLPZMKRRCCMXQD-OAHLLOKOSA-N 323.780 1.633 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)c(OC)c1 51356579 HZKHOUKOMHHRFC-UHFFFAOYSA-N 319.317 1.531 0 40 DDAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)NC1CCC(O)CC1 83884515 MMLAJWACPRSDCT-CLRIEMFWSA-N 312.410 1.711 0 40 DDAB CC(C)n1nccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 22292430 ZWXPEVZDGCMATO-UHFFFAOYSA-N 314.411 1.074 0 40 DDAB COc1ccccc1NC(=O)CCNc1ncnc2[nH]cnc12 12296307 MDTUZOQOGUJEQT-UHFFFAOYSA-N 312.333 1.802 0 40 DDAB biogenic CCN1CCN(c2nccc(-c3cnc4ncnn4c3C)n2)CC1 54202018 FMZJIFYNRAZOCO-UHFFFAOYSA-N 324.392 1.032 0 40 DDAB COC(=O)c1ccoc1COC(=O)c1ccc(C(N)=O)cc1 23458426 BSDOYTNZWHTMTH-UHFFFAOYSA-N 303.270 1.522 0 40 DDAB COC(=O)C1[C@@H]2C3C4[C@H]1[C@H]1C[C@@H]1[C@H]4C(C(=O)OC)[C@H]3[C@@H]1C[C@H]21 101003050 IBCKSPPYENJLNL-HWWQQAOXSA-N 302.370 1.589 0 40 DDAB CS(=O)(=O)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1 24055891 FOVHEUBCCGQBGR-UHFFFAOYSA-N 324.328 1.331 0 40 DDAB CC(C)CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 2917010 FJJOSSJRSBUUCA-UHFFFAOYSA-N 312.373 1.962 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccn2)c1 24356949 FDIKOWHPRRRBKL-LLVKDONJSA-N 320.370 1.908 0 40 DDAB CCONC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 22875162 VELOWIHDPWRORD-UHFFFAOYSA-N 314.407 1.546 0 40 DDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)cn1 107200045 LDSXWCWGKFTXPF-JKSUJKDBSA-N 317.437 1.721 0 40 DDAB S=C(NCCN1CCOCC1)Nc1cccc2cnccc12 25285772 RQAUIJSJMYHJAM-UHFFFAOYSA-N 316.430 1.853 0 40 DDAB CCc1nc(CN2CCN(C(=O)c3csnn3)CC2)cs1 56464260 BXCGLUKMQZOITR-UHFFFAOYSA-N 323.447 1.515 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)NCc1cccnc1 27062393 IFJOOQDQBCYXQD-UHFFFAOYSA-N 308.341 1.498 0 40 DDAB O=C(NCc1cccnc1)N1CCC([C@@H](O)C(F)(F)F)CC1 89794026 USQIZXDTLBMUQM-GFCCVEGCSA-N 317.311 1.926 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccnn1C1CCCCC1 57987113 YAXPREWZMYSDBA-UHFFFAOYSA-N 308.407 1.860 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(c2nccs2)CC1 10270119 GFVITTLKEKEPOD-UHFFFAOYSA-N 306.391 1.639 0 40 DDAB Cn1nccc1C1CCN(Cc2nnnn2-c2ccccc2)CC1 58289745 SZATYYBWHPTDFM-UHFFFAOYSA-N 323.404 1.775 0 40 DDAB O=S(=O)(N[C@@H]1CCN2CCCC[C@H]12)c1cc(F)cc(F)c1 44937583 PLAIBUFOPPJACU-ZIAGYGMSSA-N 316.373 1.870 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccncc1 44908253 BUMDUJJRVODZRQ-DZGCQCFKSA-N 311.389 1.965 0 40 DDAB C[C@H]1CN(C(=O)NCCc2cn3ccccc3n2)C[C@@H](C)O1 44914620 JDNRSPHMZYKNMV-BETUJISGSA-N 302.378 1.696 0 40 DDAB Nc1nc(SCC(=O)NCCCSc2ccccc2)n[nH]1 12686577 HEIJLAQMEQYDGT-UHFFFAOYSA-N 323.447 1.778 0 40 DDAB CCOC(=O)CCCNC(=O)COC(=O)c1cccc(F)c1 3317388 VOZVHAYUOOXAQC-UHFFFAOYSA-N 311.309 1.442 0 40 DDAB O=C(NCc1ccc(N2CCCCC2)nc1)NC[C@@H]1CCOC1 48237908 GXJOUUGABJDJMK-HNNXBMFYSA-N 318.421 1.908 0 40 DDAB COc1ncccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 48273760 IZTDKHZXJWLWIX-LSDHHAIUSA-N 313.357 1.548 0 40 DDAB Cc1cnc(C(=O)OCc2cc(=O)n3ccsc3n2)cn1 3542624 PPKWQBLCUAZWNO-UHFFFAOYSA-N 302.315 1.211 0 40 DDAB CC(=O)N[C@](C)(C(=O)N1CCC[C@@H]1Cn1cc(C)cn1)C1CC1 70038918 CQSIAHBRXLYPAO-WBVHZDCISA-N 318.421 1.487 0 40 DDAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cncc(F)c1 69366816 JDUNBVBPLPROEU-UHFFFAOYSA-N 320.349 1.918 0 40 DDAB COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@H]2C(N)=O)cc1 13638900 WNZGEMXWMYMOQV-ZJUUUORDSA-N 322.411 1.784 0 40 DDAB COC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 6085315 RSEFHJJEZMCJHI-UHFFFAOYSA-N 316.313 1.825 0 40 DDAB CCc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)o1 69420794 IAPLUHGMADSSTP-UHFFFAOYSA-N 316.405 1.924 0 40 DDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N1C[C@H](C)O[C@@H](C)C1 14049201 VGBPSWGKIRMFDO-IUCAKERBSA-N 311.407 1.309 0 40 DDAB COc1cc(CCC(=O)NC[C@@H]2CCCN2C)cc(OC)c1 65534379 OPQGEDZYAVSODW-AWEZNQCLSA-N 306.406 1.847 0 40 DDAB COc1cc(CC(=O)Nc2ccn(C)n2)cc(OC)c1OC 5336012 NHHYCSKBSAVTPP-UHFFFAOYSA-N 305.334 1.627 0 40 DDAB C[C@@H](CS(C)(=O)=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 89632752 HZRPTHFZIJWYEF-QWHCGFSZSA-N 324.446 1.897 0 40 DDAB CSc1nc2n(n1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 4731526 KNBZBKUGDBASSU-VIFPVBQESA-N 303.347 1.522 0 40 DDAB O=C(NCCc1cccc(O)c1)N[C@H]1c2ccccc2C[C@H]1O 66235109 DZOUBCJOOWPTTQ-SJORKVTESA-N 312.369 1.892 0 40 DDAB COCCN1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1=O 92029038 XYNGQCGPIRTFQM-UHFFFAOYSA-N 315.373 1.407 0 40 DDAB CS(=O)(=O)NCCOC(=O)C12CC3CC(CC(C3)C1)C2 69874461 JQAUVMUQNJNRQY-UHFFFAOYSA-N 301.408 1.295 0 40 DDAB Cc1csc(N2CCN(CCCN3CCCC3=O)C[C@@H]2C)n1 69894813 FCXHYNYFICKWPD-AWEZNQCLSA-N 322.478 1.975 0 40 DDAB Cn1ncnc1CNC(=O)NCc1ccccc1-n1cccn1 89741172 BOSSVODNBNWHEL-UHFFFAOYSA-N 311.349 1.000 0 40 DDAB Cc1c(Br)cccc1CS(=O)(=O)c1nc[nH]n1 90084942 MIXMSNDGDUQCDJ-UHFFFAOYSA-N 316.180 1.850 0 40 DDAB CNC(=O)COC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 69974324 OOZRADTUYLEKHQ-OAHLLOKOSA-N 304.390 1.639 0 40 DDAB Cc1nn(C)c(C)c1CN1CCN(Cc2nccn2C)CC1 69902412 GXHDLDICXOKFBZ-UHFFFAOYSA-N 302.426 1.088 0 40 DDAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCNC1=O 7633409 ATQMNLNTJSUQRJ-VIFPVBQESA-N 317.374 1.504 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2cccc(-n3cnnc3)c2)[C@H]1C(=O)O 71288503 BWYKPZFFJZEABP-NEPJUHHUSA-N 300.318 1.563 0 40 DDAB CCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1OC 9112970 JRVNXXJFIOJUIC-LBPRGKRZSA-N 312.391 1.448 0 40 DDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 9154827 CWRVXOXBXUVVNT-NSHDSACASA-N 311.359 1.237 0 40 DDAB CC(C)=CCN1CCC(NC(=O)N[C@@](C)(CO)C2CC2)CC1 96475246 OXVUMFITEUNABF-KRWDZBQOSA-N 309.454 1.877 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)NC[C@H]1CCOC1)C2 72254808 NIJLKSHESZUSDS-DGCLKSJQSA-N 306.362 1.334 0 40 DDAB CCCCn1nc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1=O 71874881 ULLOYTJGVDUYKB-CQSZACIVSA-N 318.421 1.354 0 40 DDAB Cc1cc(Cl)ccc1OCCCNC(=O)c1n[nH]c(=O)[nH]1 71889238 WGFOTOZYIFRLMM-UHFFFAOYSA-N 310.741 1.259 0 40 DDAB Cc1ccc(N2C(=O)N(CCS(C)(=O)=O)C(=O)[C@@H]2C)cc1 71812701 YWMAKRMMKWGVLT-NSHDSACASA-N 310.375 1.197 0 40 DDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N(C)CC(N)=O 71821514 JJXPMCWWYKHDAA-CYBMUJFWSA-N 300.305 1.312 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cccc(C(N)=O)c1 71880436 XSDCCDFYTVVQER-IAGOWNOFSA-N 315.417 1.761 0 40 DDAB COc1ccc(CC(=O)N[C@H]2CCc3nccn3C2)cc1OC 72278536 JPRRAWBGKVMRDA-ZDUSSCGKSA-N 315.373 1.574 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cs1 72254976 PVSVAQULSPXXED-LLVKDONJSA-N 319.390 1.775 0 40 DDAB CC(C)Cn1ccnc1CNS(=O)(=O)C1CCOCC1 97052412 NLGKWIAEWYEDDK-UHFFFAOYSA-N 301.412 1.138 0 40 DDAB CC1(C)CN(CC(F)(F)F)CCN1C(=O)N1CCOCC1 97052418 DGEQBAHUQMVKCM-UHFFFAOYSA-N 309.332 1.397 0 40 DDAB CO[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 75602553 QGXAYRKEQLABFL-HUUCEWRRSA-N 300.362 1.829 0 40 DDAB Cc1ncc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)s1 84290608 UISCKDDTSDHROV-CQSZACIVSA-N 308.407 1.356 0 40 DDAB c1ccc(Cn2cncn2)c(CNc2nccn3cnnc23)c1 72304124 UWHQEPSMXIVCKP-UHFFFAOYSA-N 306.333 1.376 0 40 DDAB CCc1nc([C@@H](C)NC(=O)Nc2nccn(C)c2=O)cs1 97234889 YQQCPBQGPNEKBS-MRVPVSSYSA-N 307.379 1.682 0 40 DDAB CCc1nc(CN(C)[C@H]2CCN(Cc3cnc(C)cn3)C2)no1 76047397 JEWNDASKRSYDGW-AWEZNQCLSA-N 316.409 1.437 0 40 DDAB CSCC[C@@H](O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 95451494 XAXYYTNQMFLECA-HUUCEWRRSA-N 310.463 1.828 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)Nc3nncs3)cc21 95439250 KXCHSEFTCHTBBD-UHFFFAOYSA-N 310.404 1.721 0 40 DDAB COCCN(CCC(=O)O)C(=O)CCC(=O)c1ccccc1 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1.264 0 40 DDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)CO)cc1 252514818 DZEVCIXWBXZONC-ZACQAIPSSA-N 317.410 1.625 0 40 DDAB Cc1nc(CCC(=O)N2CCCC2)cc(C2CCNCC2)n1 257291084 QFOGSQBFQYZNHB-UHFFFAOYSA-N 302.422 1.807 0 40 DDAB C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1ccc2c(c1)OCCO2 263528301 VDWNHWFGYVXCLX-JQWIXIFHSA-N 305.330 1.783 0 40 DDAB Cc1sc(/C=C/c2cn(C[C@@H]3CCOC3)nn2)nc1C(=O)O 630950600 JLMHQTSTVSZGPE-PBKGFPTLSA-N 320.374 1.948 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)C1CC(F)C1)CC2 585096328 IOMXCOHSFWXWNA-UNXYVOJBSA-N 322.384 1.673 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585276600 QEQYANAZLLMBQL-QGZVFWFLSA-N 319.380 1.663 0 40 DDAB CC(=O)N(C)CC(=O)NCCc1ccc(Br)s1 46195196 LZPIZHHEOQKJLH-UHFFFAOYSA-N 319.224 1.648 0 40 DDAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)C1CCC1 47277557 HBKLIVAGOQXZMQ-UHFFFAOYSA-N 310.375 1.671 0 40 DDAB C[C@H]1CN(CCNC(=O)c2scnc2Cl)C[C@@H](C)O1 47304644 JVSKPCKXAZFYNK-DTORHVGOSA-N 303.815 1.636 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)C1(c2ccccc2)CCOCC1 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DDAB COc1cc(OC)cc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1 28632942 GDKIYHWTUOGTES-NSHDSACASA-N 323.345 1.108 0 40 DDAB C[C@@H](O)CN1CCN([C@H](C)C(=O)NC2CCCCCC2)CC1 69740254 PCOPETMRNBHXBY-HUUCEWRRSA-N 311.470 1.212 0 40 DDAB O=C(NCCn1ccnc1)C1=NN(c2ccccc2)C(=O)CC1 48354612 XFWSEAHFGZITHB-UHFFFAOYSA-N 311.345 1.182 0 40 DDAB CC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1F 3455830 SNSOYNYINKFRQP-SNVBAGLBSA-N 302.371 1.409 0 40 DDAB C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1 12928483 XXZLVPYVVDFSGK-CYBMUJFWSA-N 314.389 1.649 0 40 DDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1C1CCCC1 62720460 WJMPYCJCMWCHKG-UHFFFAOYSA-N 301.350 1.408 0 40 DDAB CN(C)Cc1cc(CC2(NCc3ccccc3F)COC2)no1 67897797 AEFQEASZXZWDNI-UHFFFAOYSA-N 319.380 1.977 0 40 DDAB biogenic,in-vitro N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 4226917 MHSDXHURANOMDH-MNOVXSKESA-N 316.835 1.989 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 6218264 KSNOZPBVCHUNCC-MRXNPFEDSA-N 319.361 1.032 0 40 DDAB Cc1ccc(-n2nc(C(=O)N3CCOCC3)c(=N)s2)cc1 4468987 LYOXZPPIWCXESR-UHFFFAOYSA-N 304.375 1.194 0 40 DDAB Cc1cc(CNC(=O)N[C@](C)(C(=O)O)c2ccc(F)cc2)on1 65554049 OEDWUVGIAIIXDD-HNNXBMFYSA-N 321.308 1.921 0 40 DDAB CCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nnc1C1CC1 14185002 OHLMPHRJKCFADQ-CMPLNLGQSA-N 324.450 1.951 0 40 DDAB COc1ccc(CNC[C@@H]2CN(C)CCO2)cc1OCC1CC1 65615064 GQCNWLAMSNIRPQ-MRXNPFEDSA-N 320.433 1.904 0 40 DDAB CCCNC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 5487104 CMYOKJJJBWHROR-UHFFFAOYSA-N 315.377 1.482 0 40 DDAB COc1cccc(NC(=O)[C@@H](NCCO)c2ccccc2)c1 6586333 FIISJMNWWHHGDK-INIZCTEOSA-N 300.358 1.957 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)N1CCOC(C)(C)C1 69705879 BXWVARANOAEZHS-UHFFFAOYSA-N 301.387 1.332 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)c1 70015854 KLCIULFYFPBYAC-OAHLLOKOSA-N 301.394 1.721 0 40 DDAB C[C@H](C(=O)O[C@H]1CCCCC1=O)N1C(=O)c2ccccc2C1=O 5881250 WWRBQRCBUBMARB-YGRLFVJLSA-N 315.325 1.726 0 40 DDAB CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 69371649 AYSYHBOVXYLDGN-ZYHUDNBSSA-N 312.391 1.174 0 40 DDAB Cc1cnc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)s1 6969134 VKXPNUAQYUCXJE-UHFFFAOYSA-N 319.342 1.549 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccc3c(c2)OCO3)c(=O)[nH]1 7117983 RTICGPNYZJCMOC-UHFFFAOYSA-N 300.314 1.650 0 40 DDAB O[C@H](COc1ccccc1)CN1CCC[C@H](Cn2cncn2)C1 69872320 YUFBQJYPDJNMGW-HOTGVXAUSA-N 316.405 1.430 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnn(C)c1 18099345 WPMSOQJIIACAPX-UHFFFAOYSA-N 311.345 1.319 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 71282944 IIPLLTFRYQHRGG-STQMWFEESA-N 314.345 1.622 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CCOC1 96007702 JNZFMXSIGJKQCE-DTWKUNHWSA-N 324.324 1.804 0 40 DDAB c1cc(-c2noc(Cn3cnnn3)n2)cc(N2CCCCC2)n1 75610015 LGESJHKIXLFKBJ-UHFFFAOYSA-N 312.337 1.157 0 40 DDAB Cn1cc(NC(=O)NCCc2csc(N3CCCC3)n2)cn1 96433868 KFOGFFMUKHZXBU-UHFFFAOYSA-N 320.422 1.841 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2Cc2nnnn2-c2ccccc2)c1 71875816 RTUAVZMQICMKCX-INIZCTEOSA-N 323.404 1.832 0 40 DDAB O=C1OCC[C@H]1N1CCN(C(=O)Cc2ccccc2Cl)CC1 71830908 BLUMFSATRCVGPA-CQSZACIVSA-N 322.792 1.342 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1 71846597 PFJVVWTZMLQMLJ-HNNXBMFYSA-N 324.340 1.481 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 97051600 VMXXRYQQOJWXAE-LBPRGKRZSA-N 314.455 1.221 0 40 DDAB Cc1cc(F)cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 97035168 WZEDSBZVJPDQEP-NSHDSACASA-N 314.382 1.240 0 40 DDAB C[C@@H]1C[C@@H]1c1cc(NC(=O)c2c[nH]c3c(cnn3C)c2=O)[nH]n1 97162485 QWELWJSYCPFDEA-SFYZADRCSA-N 312.333 1.360 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCc3ccccc3)C[C@H]2C)CC1 76058368 ZXDFVPCGMNTHHO-APWZRJJASA-N 315.461 1.714 0 40 DDAB Cn1c(=O)[nH]c2cc(C(=O)N(CCCO)CC(C)(C)C)ccc21 97233108 ZVMRZQRYJSDZGW-UHFFFAOYSA-N 319.405 1.737 0 40 DDAB Cn1ccs/c1=N\C(=O)CN1CCCc2sccc2C1=O 84334688 KZWRPIADHJKVTI-PFONDFGASA-N 321.427 1.664 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN(C[C@H](O)c3ccccc3)C2)C1=O 84597325 KPXIEDDTJVGWOF-WMLDXEAASA-N 317.389 1.125 0 40 DDAB c1cn2c(n1)[C@H](CNCc1cnc(N3CCCC3)nc1)CCC2 84613345 VPQFRZVNMGUEQT-HNNXBMFYSA-N 312.421 1.941 0 40 DDAB COCCN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccnc2C)C1 95394071 OXZPMNXVPIGTNX-CQSZACIVSA-N 319.405 1.347 0 40 DDAB Cc1nccn1C[C@H]1CCCN1c1nccc(-n2cccn2)n1 95407810 KMVYJMALZCSQNO-CQSZACIVSA-N 309.377 1.836 0 40 DDAB NC(=O)c1cn[nH]c1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 95406953 XAJDUEBNQFSDPX-DYVFJYSZSA-N 310.357 1.741 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2nccn3ccnc23)C12CCC2 95404712 AJLYSZIFBWGNQN-NEPJUHHUSA-N 300.362 1.807 0 40 DDAB CC[C@H]1CN(C(=O)CN2C(=O)CCc3ccccc32)C[C@@H]1O 95445032 DGSHNXNEZHSYIL-WFASDCNBSA-N 302.374 1.195 0 40 DDAB NC(=O)C[C@@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)C1CC1 73960487 DAMWHPGFWMEFKM-SNVBAGLBSA-N 305.359 1.874 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Cl)s2)C[C@H](C(N)=O)O1 89496823 WMSDWCIANLTAHD-HRDYMLBCSA-N 316.810 1.606 0 40 DDAB NC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1 75106931 YZTBDMNIPWQJJE-UHFFFAOYSA-N 310.306 1.431 0 40 DDAB CC(C)(C)C(=O)NCCC(=O)NC[C@H]1CSCCS1 75108727 HUDUPMCJEJRZQU-JTQLQIEISA-N 304.481 1.504 0 40 DDAB O=C(c1cnn(CCO)c1)N1CCCN(c2ccccc2)CC1 1548629427 MYKFNWSUJQEXLL-UHFFFAOYSA-N 314.389 1.228 0 40 DDAB COc1ccnc(NCCNS(=O)(=O)c2ccc(C)cc2)n1 24215609 WOSJZHAXQXRBQR-UHFFFAOYSA-N 322.390 1.184 0 40 DDAB COc1ccc(OC)c(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)c1 33452413 VRYCAINCYXJNST-SBJJXXPASA-N 307.346 1.942 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)CCc3cscn3)CC2)S1 73119580 ACXMUWDADMHWRW-LLVKDONJSA-N 324.475 1.711 0 40 DDAB O=C1C=C(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CN1 524732664 VLEXLJJYFIVIKO-UHFFFAOYSA-N 320.352 1.710 0 40 DDAB Cc1ccc(F)c(OCC(=O)N(C)C[C@H](C)c2nnn[nH]2)c1 124598918 BLEYOCVZDOBWOC-JTQLQIEISA-N 307.329 1.288 0 40 DDAB C[C@H](NC(=O)CCn1cncn1)c1cccc(-n2cccn2)c1 74036489 USPSFIOGVJFWJK-ZDUSSCGKSA-N 310.361 1.731 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 39918301 XWCYIMMELSOAGH-ZDUSSCGKSA-N 321.396 1.637 0 40 DDAB C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2ccccc2)C1 72388752 UKIATODXYCGTOW-QGZVFWFLSA-N 312.373 1.703 0 40 DDAB COc1ccc(CC(C)(C)NC(=O)[C@H]2CCC(=O)N2C)cc1 189063510 SRWQCKQRMPRAJT-CQSZACIVSA-N 304.390 1.753 0 40 DDAB CCCS(=O)(=O)NC1CCN(Cc2c(C)noc2C)CC1 30132183 IJCXRNFYHOANHT-UHFFFAOYSA-N 315.439 1.585 0 40 DDAB COc1ccc2cc(CN3CCO[C@@](C)(C(N)=O)C3)ccc2c1 72379875 MTMMIXMSVDCDER-GOSISDBHSA-N 314.385 1.925 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(F)cc2C)n1 77837457 QHAUQRGUDXKABA-UHFFFAOYSA-N 320.324 1.513 0 40 DDAB N[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218039633 DKOHDDYWXPLZEM-YCPHGPKFSA-N 317.366 1.408 0 40 DDAB Cn1cc(CNC(=O)[C@@]2(C)Sc3ccccc3NC2=O)cn1 41644443 YPNFPRBLSPNODR-OAHLLOKOSA-N 316.386 1.539 0 40 DDAB C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCc2ccccc2CC1 130904494 RKMOEBMGGLLOQZ-WMLDXEAASA-N 318.417 1.991 0 40 DDAB COc1ccc(OC)c(-c2ccc(=O)n(CCC(=O)O)n2)c1 41528984 HJNJJSSVIFQSCS-UHFFFAOYSA-N 304.302 1.402 0 40 DDAB Cn1nnnc1COc1ccc(C(=O)NCc2cccnc2)cc1 226752228 AFJLSIGSEBOIIK-UHFFFAOYSA-N 324.344 1.114 0 40 DDAB O=C(Cc1cccs1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436761 YKSFFVFQDPUEBV-CQSZACIVSA-N 320.414 1.761 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223100703 PMIZCZAFIRLRCE-SSDOTTSWSA-N 306.413 1.209 0 40 DDAB O=S(=O)(NC[C@](O)(c1ccco1)c1cccs1)C1CC1 225589000 PFUHCKSMGPHYJM-ZDUSSCGKSA-N 313.400 1.659 0 40 DDAB COc1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223444754 AOVFRTYJNHSCOA-UHFFFAOYSA-N 304.302 1.375 0 40 DDAB O=S(=O)(c1cccc2nsnc12)N1CCc2cnccc21 84015596 CBOLUUIORHDUGK-UHFFFAOYSA-N 318.383 1.838 0 40 DDAB Cc1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)co1 225890800 XRFIEBXPKNCWDO-UHFFFAOYSA-N 323.374 1.794 0 40 DDAB Cc1n[nH]c(C)c1C(=O)NCCn1cnc2sccc2c1=O 225810501 UGEMYQKGSTUKNQ-UHFFFAOYSA-N 317.374 1.228 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@@H]2CC[C@H](SC)C2)CC1 81473281 CZDXTYORQIOMKV-CABCVRRESA-N 313.511 1.757 0 40 DDAB COc1ccc(S(=O)(=O)N2CCc3c(F)cccc32)cn1 195454093 SWWBKNLAJSNOPI-UHFFFAOYSA-N 308.334 1.981 0 40 DDAB CCOc1ccc(C(=O)N[C@H]2C[C@@H](O)[C@@H](CO)C2)cc1OCC 85468731 QSWWLEQSSAIKDM-MGPQQGTHSA-N 323.389 1.346 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2CC[C@H]3NC(=O)C[C@@H]32)cc1 96088887 MAVIYGUEPKJKJR-KGLIPLIRSA-N 308.403 1.462 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccc3ccccc3n2)C1 195571592 VEBACVVTIXWFMB-CYBMUJFWSA-N 305.403 1.753 0 40 DDAB C[C@H]1CN(C(=O)CN2CCCCC2=O)[C@@H](c2ccccc2)CO1 96433376 YHWYCRFDFKIGBH-GOEBONIOSA-N 316.401 1.988 0 40 DDAB CC(C)N1CCO[C@H]2CN(S(=O)(=O)c3cccs3)C[C@H]21 96248686 OVXAGVRCEQACOT-NEPJUHHUSA-N 316.448 1.230 0 40 DDAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccsc3)C2)O1 96063305 PUCMUFFVLAMGML-GDBMZVCRSA-N 324.446 1.700 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)c1cncc(F)c1)c1ccccc1 96406076 QHKCXMZUPPSJFQ-HNNXBMFYSA-N 323.393 1.802 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2CN(c3nncs3)C[C@H]2C1 96249180 HLMGSRKZUDOWIK-NXEZZACHSA-N 321.431 1.593 0 40 DDAB Cc1cc2ccccc2nc1NC[C@H](O)CN1CCOCC1 95428394 PQYRTJBWRMULSU-HNNXBMFYSA-N 301.390 1.648 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046332 BSFNNFZMASSXDL-TUKIKUTGSA-N 311.345 1.259 0 40 DDAB COc1ncc(CN2CCCC[C@H]2c2ccnc(N)n2)cn1 257300691 RVIBLLVRLHCKLP-ZDUSSCGKSA-N 300.366 1.585 0 40 DDAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2ccnc(O)n2)C1 257258134 KSMPSZXAWSCREM-JTQLQIEISA-N 313.361 1.414 0 40 DDAB CN(C)c1ccc(C[C@H](CO)n2cccc(C(=O)O)c2=O)cc1 257278747 ODMRRNSJWDGXNK-CQSZACIVSA-N 316.357 1.389 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@](O)(CN2CCCC2)C1 257315773 VCSHSEPWAWUTLG-KRWDZBQOSA-N 320.437 1.018 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccsc1 257233212 GOGQHUNMDALYLT-RBSFLKMASA-N 324.446 1.482 0 40 DDAB Cc1ccnc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257232259 GJZWVTDNRDFAMR-ZDUSSCGKSA-N 311.407 1.431 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccccc2F)n1 257230613 GDBPXHMLXAYSPK-ZDUSSCGKSA-N 319.336 1.836 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cncs2)c1 257295064 QWVYQBSSEHRPQM-HNNXBMFYSA-N 316.430 1.649 0 40 DDAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(C)=O 257324678 WPRFSFOMCJMYHB-BRWVUGGUSA-N 316.401 1.496 0 40 DDAB CCO[C@@H]1C[C@](NC(=O)c2ccnc(O)c2)(C(=O)O)C1(C)C 262781606 JDLFBCFQQCFPJO-BMIGLBTASA-N 308.334 1.175 0 40 DDAB CNC(=O)CCN(C)C(=O)COc1ccc(Cl)cc1Cl 30835349 UEAFIXLYQRDNKG-UHFFFAOYSA-N 319.188 1.967 0 40 DDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC2)C1 575406284 YWVMOEQGKGXYEN-ZDUSSCGKSA-N 314.345 1.260 0 40 DDAB CSCC(=O)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575403321 HXMYMYIYFSBYNJ-AWEZNQCLSA-N 322.430 1.721 0 40 DDAB c1ccc2[nH]c(N3CCN(c4ccc5nncn5n4)CC3)nc2c1 134946963 KPQLHKDLFHFREP-UHFFFAOYSA-N 320.360 1.327 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1Cc1ccccc1C(=O)O 585278008 OQHQAXQMUFOXQN-KRWDZBQOSA-N 320.389 1.502 0 40 DDAB O=C(O)[C@@H]1CC12CCN(C(=O)c1n[nH]c3c1CCCC3)CC2 675950244 IMZUVQRQPFZHGL-NSHDSACASA-N 303.362 1.615 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1Cl 66902132 LTYZCFCOQHTREK-CRALRDPISA-N 314.794 1.590 0 40 DDAB COc1ccc(NC(=O)NCC2(O)CCOCC2)c(OC)c1 70639080 PEWYTJYRAMMDFG-UHFFFAOYSA-N 310.350 1.367 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 37436295 SMCHLATVDOUCBF-NOZJJQNGSA-N 309.749 1.967 0 40 DDAB in-vitro Cn1ncnc1CNC(=O)c1sccc1Br 95403736 TVMRPTXSQDZWCG-UHFFFAOYSA-N 301.169 1.569 0 40 DDAB CCn1c(=O)n(CC(=O)Nc2ccccc2F)c2cccnc21 12222295 ADRHCDRHOJPIPU-UHFFFAOYSA-N 314.320 1.996 0 40 DDAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1 12602385 BCDNIZSGALHIFG-HRCADAONSA-N 308.470 1.500 0 40 DDAB biogenic,in-vitro COCC(=O)N1CC[C@H](c2ncccc2C(=O)NCC(C)C)C1 19708026 LIEXEWGXZIYSDO-ZDUSSCGKSA-N 319.405 1.430 0 40 DDAB CONC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 162741518 GHAIJIUXSNIFLW-LLVKDONJSA-N 310.373 1.499 0 40 DDAB Cc1ccn2c(O)c(C(=O)NC3CCCCC3)c(=O)nc2c1 164576409 FFXXVTCTQFGNOQ-UHFFFAOYSA-N 301.346 1.771 0 40 DDAB Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)c1C 19557189 DDTVRORREPTOSZ-OAHLLOKOSA-N 320.437 1.429 0 40 DDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCNC(=O)C1 5120209 BXWDEPPDLMJJFP-UHFFFAOYSA-N 310.419 1.413 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888843351 RLUABDMPDVCDNG-LBPRGKRZSA-N 311.769 1.679 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)nc1 1889125169 AXIYXSBYKVALFO-CYBMUJFWSA-N 315.377 1.822 0 40 DDAB C[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 27034209 NMDMAUJZYNTZNA-RYUDHWBXSA-N 317.389 1.679 0 40 DDAB COc1cccc(F)c1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037984152 RWEDTFLZGWVTBG-WFASDCNBSA-N 322.380 1.513 0 40 DDAB CCOC[C@H]1CN(C(=O)c2csnn2)Cc2cn(C)nc21 1565549184 NJFFHFKOWKICGU-SNVBAGLBSA-N 307.379 1.048 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nnc(C3CC3)s2)CC1 2086865366 QFSVDVASTGBCME-NSHDSACASA-N 323.466 1.451 0 40 DDAB COCCCN[C@H](CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O 4056950 WQTORXLFBFWVHE-CQSZACIVSA-N 323.393 1.161 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 203701 UFTQIECOROIOFO-NFFDBFGFSA-N 303.314 1.125 0 40 DDAB biogenic O=C(CCCn1c(=O)oc2ccccc21)NC[C@H]1CCCO1 36618163 GEPHFERBNSUKCE-GFCCVEGCSA-N 304.346 1.670 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1ccsc1)N(C)C 45658445 ZMERDVMTAXKPRT-AWEZNQCLSA-N 321.450 1.926 0 40 DDAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)c2ccccc2F)C1=O 28913737 SCZIITUFGBXSJZ-BLLLJJGKSA-N 318.304 1.919 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCc2ccco2)C1 40515921 ZCVYXRFEPKNTIO-LBPRGKRZSA-N 314.407 1.000 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)O[C@H](C(N)=O)c1ccc(F)cc1 11576217 AYRMDRVWQCRJOT-HNNXBMFYSA-N 319.336 1.488 0 40 DDAB CC(=O)N(C(C)=O)c1cc(/C=C/C(=O)O)ccc1/C=C/C(=O)O 3845226 QRBYVDKCUIHOBH-IJYBVRAASA-N 317.297 1.782 0 40 DDAB CS[C@H]1CCC[C@@H]1N(C)C(=O)NCc1nnc2n1CCC2 83855598 FSPPLDBGXQNQRQ-QWRGUYRKSA-N 309.439 1.650 0 40 DDAB O=C(CCSc1nnc(-c2ccco2)o1)N1CCOCC1 386042 KOSLEHYGXXDMCH-UHFFFAOYSA-N 309.347 1.671 0 40 DDAB CCNS(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1 21215468 FHLYZGRVIOPKMC-UHFFFAOYSA-N 312.376 1.089 0 40 DDAB CC(C)[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cccs1 32715713 VUHJRZSCXFAJCA-AWEZNQCLSA-N 321.402 1.122 0 40 DDAB O=C(NCc1cccc(F)c1)[C@H]1CC[C@H](Cn2cnnn2)CC1 103791883 XYRDLRSALPIQIF-XBXGTLAGSA-N 317.368 1.935 0 40 DDAB CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 32999454 IYNGQJLRWLGNNY-UHFFFAOYSA-N 324.336 1.856 0 40 DDAB Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1F 41361632 RPWTXDYPGXIVTI-UHFFFAOYSA-N 307.413 1.892 0 40 DDAB Cc1cnn(C[C@H]2CN(C[C@H](O)c3ccccc3)CCO2)c1 69453387 IUVSIRYJEJFYSC-SJORKVTESA-N 301.390 1.626 0 40 DDAB CCC[C@@](C)(NC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 41811136 NPWJHUDKAIRCIR-MRXNPFEDSA-N 307.346 1.919 0 40 DDAB COCCNC(=S)Nc1ncn(Cc2ccc(F)cc2)n1 2778297 YTZRFXNVBZYBNJ-UHFFFAOYSA-N 309.370 1.398 0 40 DDAB Cc1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1 786632 VRHDFOFOPYDLQA-UHFFFAOYSA-N 310.419 1.774 0 40 DDAB O=c1[nH]/c(=C\c2ccccc2)c(=O)[nH]/c1=C\C=C\c1ccccc1 104203224 YLTIVBKUHJPOTM-IGDPUKIESA-N 316.360 1.386 0 40 DDAB CC(C)(C)n1nc(C(=O)N2CC[C@@H](C(N)=O)C2)cc1C1CC1 53895070 LQXGMOIBUKISGH-LLVKDONJSA-N 304.394 1.463 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NN1CCN(C)CC1 2778707 AGOMAGZDWVDXJV-JTQLQIEISA-N 319.331 1.050 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@@H]13)O2 100314635 MWORSPXVTCBYLG-UUIJZJDISA-N 305.717 1.711 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnn(C)c2)c1 24359461 UMJCUIWGAIQSSA-UHFFFAOYSA-N 323.374 1.027 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)c2ccc[nH]c2=O)ccn1 47287156 MWJBDDSKNJDQIP-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@H](C)OC[C@H]1C 55258910 OKXITLWJSHNLMD-NEPJUHHUSA-N 316.405 1.915 0 40 DDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 3017996 XEGLSUZHGRIUCU-ZDUSSCGKSA-N 310.781 1.755 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCn1ccnc1 43310586 FBUVOVVKGUSFKF-UHFFFAOYSA-N 316.361 1.496 0 40 DDAB Cc1cccnc1NC(=O)Cn1nc(-c2ccco2)ccc1=O 61721104 IUXOPZVMMYURET-UHFFFAOYSA-N 310.313 1.845 0 40 DDAB CCOc1cccc(N2CCN(CCn3cccn3)CC2)n1 106873767 ARXBJOVLDZWMPX-UHFFFAOYSA-N 301.394 1.499 0 40 DDAB CC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1C[C@H](C)O 107351164 PGGYZSXEFHOUIK-BBRMVZONSA-N 323.481 1.068 0 40 DDAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)N3CCOCC3)ccc21 57882748 KBOGFBCATDJORM-LBPRGKRZSA-N 317.389 1.255 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc[nH]c1=O 58280370 AWLNVZMAKRWYGM-UHFFFAOYSA-N 310.313 1.114 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)NC[C@H]1CCCO1 44945569 LPMQNPDGVMQXND-CYBMUJFWSA-N 301.350 1.246 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@H](O)c1ccccc1F 44955360 HFNNLKBGAFYOJX-AWEZNQCLSA-N 306.341 1.445 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12623093 GTINKQKEGNIVSW-UHFFFAOYSA-N 322.430 1.418 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 22805035 JSWQJKDSBFMSPY-KONPQCLYSA-N 310.482 1.826 0 40 DDAB Cc1cccc(OCCCNC(=O)N2CC[C@H](C(N)=O)C2)c1 45274294 IANKGVUVPRQALW-ZDUSSCGKSA-N 305.378 1.281 0 40 DDAB CNC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 3320103 OVJIGCOVQOHGLZ-UHFFFAOYSA-N 319.144 1.012 0 40 DDAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 48236431 DOWNRQZWHZMQTQ-STQMWFEESA-N 309.435 1.526 0 40 DDAB CCN(CC)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 48299404 OQUKIBLOLQMCIA-UHFFFAOYSA-N 300.362 1.551 0 40 DDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1ccco1 48369660 RJSPHGKHJUENLE-UHFFFAOYSA-N 323.352 1.862 0 40 DDAB COCc1cc(=O)[nH]c(N2CCN(c3ccc(F)cc3)CC2)n1 12859732 PBMBKCDBRNPVBB-UHFFFAOYSA-N 318.352 1.382 0 40 DDAB CCc1nnc(NC(=O)Cn2c(=O)n(C)c3ccccc32)s1 12974282 JAURHKXITQOZHK-UHFFFAOYSA-N 317.374 1.393 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 13170340 PZALWLKEGHIWPD-ZETCQYMHSA-N 302.124 1.979 0 40 DDAB C[C@H](NC[C@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 69653074 CVHPSHJEIQRWHY-HOCLYGCPSA-N 309.454 1.302 0 40 DDAB CCOC(=O)CCNC(=O)c1ccc(Cn2ccccc2=O)o1 63975358 UBKPABWQSQPEGL-UHFFFAOYSA-N 318.329 1.173 0 40 DDAB CC(=O)Nc1nnc(SCn2nnc3ccccc32)s1 13844134 RXEIKZDXUTYGFK-UHFFFAOYSA-N 306.376 1.991 0 40 DDAB c1ccc(CNc2ncnc3[nH]c(N4CCOCC4)nc23)cc1 13831594 NNMVBKOCLTXBHC-UHFFFAOYSA-N 310.361 1.802 0 40 DDAB O=C1CSc2ccc(C(=O)NCCCn3ccnc3)cc2N1 5266502 RMOSSNLVRYNGDI-UHFFFAOYSA-N 316.386 1.747 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCN(Cc2ccsc2)CC1 65402182 QGSPXCBMRVLWMA-UHFFFAOYSA-N 305.407 1.499 0 40 DDAB Cc1nn(CCO)c(C)c1CNCCC(=O)NC1CCCCC1 65530223 YFEKCGADFICVCK-UHFFFAOYSA-N 322.453 1.421 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 4548298 VVTLXLWQSNFKML-RYUDHWBXSA-N 307.394 1.641 0 40 DDAB CN(C)CCNC(=O)c1nc([C@@H]2CCCN2C)n2ccccc12 306132843 LUBWZJZQOQQEJU-AWEZNQCLSA-N 315.421 1.392 0 40 DDAB Cc1cc(C)c2c(n1)oc1c(N(CCO)CCO)ncnc12 6764616 GHFLZYOGCRAFAT-UHFFFAOYSA-N 302.334 1.179 0 40 DDAB CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CNCCO1 5863063 HQOQHUQAQLNFOP-VIFPVBQESA-N 313.785 1.039 0 40 DDAB in-vitro C[C@@H](C(=O)O[C@H]1CCCCC1=O)N1C(=O)c2ccccc2C1=O 5880880 WWRBQRCBUBMARB-HZMBPMFUSA-N 315.325 1.726 0 40 DDAB C[C@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H](C)O1 15254715 KCTMWYHYZLUKQU-OKILXGFUSA-N 301.390 1.732 0 40 DDAB Cc1nc(C2CCN(Cc3cc(C(N)=O)cs3)CC2)no1 92787921 IDAGIMRDPBAHOK-UHFFFAOYSA-N 306.391 1.918 0 40 DDAB Cc1cc(C(=O)NC2CCCCC2)nc(N2CCOCC2)n1 71195496 ZDTCZZJPZCTGNR-UHFFFAOYSA-N 304.394 1.684 0 40 DDAB COc1ccc(C(=O)CCC(=O)NCc2nccn2C)cc1F 81734451 VYSOPPZBIXRZJF-UHFFFAOYSA-N 319.336 1.847 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)N(C)C 71914610 QBMGWBBUFZROMP-CABZTGNLSA-N 306.815 1.812 0 40 DDAB CCCCOc1ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](C)O)cc1 71921333 LGJBCDLRCVPJTK-SWLSCSKDSA-N 323.389 1.908 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)n1cncn1 71796479 WRYHKMQVZWOJSM-KBPBESRZSA-N 302.382 1.535 0 40 DDAB Cc1cccc(CNCCS(=O)(=O)N2CCOCC2)c1C 96404228 LIIIQZLADSVPOZ-UHFFFAOYSA-N 312.435 1.055 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(C)(C)O1 71831142 ILYFMCBXAVCZOC-JTQLQIEISA-N 321.402 1.484 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 71837305 KESLGCAKUJJYNF-LSDHHAIUSA-N 319.380 1.979 0 40 DDAB Cc1cc(C)c(CCNC(=O)N2CCS(=O)(=O)CC2)c(C)c1 71803898 QUOJDYOMPSUOBV-UHFFFAOYSA-N 324.446 1.594 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCC(=O)N1 89969265 MXYHXXBMNACNGA-GFCCVEGCSA-N 304.346 1.085 0 40 DDAB c1cnnc(NC[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1 76049796 XZIKOWWFPQTUGF-GFCCVEGCSA-N 316.365 1.050 0 40 DDAB CC(C)c1nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c[nH]1 76057231 UNKAADCWERHLHG-GXTWGEPZSA-N 306.410 1.326 0 40 DDAB CN(C[C@H]1CCCN1c1cccnn1)c1ncnc2[nH]ccc12 72276318 ZIJHIBUIFJTKBY-GFCCVEGCSA-N 309.377 1.853 0 40 DDAB CC(=O)N1CC[C@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1 84248036 LKUVJCILIVGDEE-CJNGLKHVSA-N 300.406 1.989 0 40 DDAB COC(=O)C1(c2ccccc2)CCN(CCC2OCCO2)CC1 97161644 XOOJHOIFGFMLDJ-UHFFFAOYSA-N 319.401 1.956 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)c2cccnc12 97379091 NCTPHSXULOEVSA-UHFFFAOYSA-N 318.398 1.689 0 40 DDAB CC1(C)CN(C(=O)c2ccc3[nH]cnc3c2)CCS1(=O)=O 84673633 VZNNTFCWFGKPKX-UHFFFAOYSA-N 307.375 1.212 0 40 DDAB O=C(OCC(=O)N1CCCC1)c1ncccc1OCC(F)F 95381543 TVDQUEWRETVWOV-UHFFFAOYSA-N 314.288 1.505 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ncc[nH]1 84736262 UPNOWVSLADGXLL-OLZOCXBDSA-N 314.455 1.338 0 40 DDAB COCCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1 95416254 XEWHUFIJCXWMGB-UHFFFAOYSA-N 321.425 1.273 0 40 DDAB COc1cccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)CC(C)C)c1 79492242 MKJJMXAEHYIVQC-UHFFFAOYSA-N 304.350 1.686 0 40 DDAB CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1Cl 95963637 OHBMLSAHTPXRNE-CMPLNLGQSA-N 310.781 1.892 0 40 DDAB CO[C@@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 89568531 ZPKBPVHOKBVOJR-OAHLLOKOSA-N 300.358 1.996 0 40 DDAB Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1S(C)(=O)=O 89651127 QCGKIHHDYLMMEL-LBPRGKRZSA-N 310.419 1.175 0 40 DDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2CCCS2(=O)=O)c1 68901664 BUNCZTYRQRQXKW-LLVKDONJSA-N 311.359 1.219 0 40 DDAB O=C(O)[C@@H]1CS[C@H](Cc2ccccc2C(F)(F)F)C(=O)N1 62712241 LUUWJEDWSBCBIH-VHSXEESVSA-N 319.304 1.933 0 40 DDAB COc1cc(N[C@@H]2CCN(c3c(F)cccc3F)C2=O)nn1C 547490160 GGVXZHXHLBAEND-LLVKDONJSA-N 322.315 1.924 0 40 DDAB CCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 2109534 WHYCYJUAIQNWPT-KIJLLGNVSA-N 302.367 1.810 0 40 DDAB biogenic COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@]1(C)C(=O)O 530207825 RLAAEQVGBWUVBW-SJCJKPOMSA-N 320.389 1.812 0 40 DDAB Cc1nnccc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 532799700 DISVNRCTQZDZCK-UHFFFAOYSA-N 306.347 1.409 0 40 DDAB CCN(CC)C(=O)CN(C)c1cncc(-n2nc(C)cc2C)n1 78979650 RSWGESSYRAQRJB-UHFFFAOYSA-N 316.409 1.584 0 40 DDAB CCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 30757593 WQRYQRHITHWCTI-UHFFFAOYSA-N 310.419 1.752 0 40 DDAB Cc1cnc(C[C@@H]2COCCN(C(=O)c3cncs3)C2)cn1 72388260 YYRBJOQUFMDOSZ-LBPRGKRZSA-N 318.402 1.573 0 40 DDAB CS(=O)(=O)c1cncnc1C1CCN(c2ncccn2)CC1 72356517 OVSPDGKYKJFCFY-UHFFFAOYSA-N 319.390 1.054 0 40 DDAB CCc1nc(CNc2cc([C@H]3CCN3C(C)=O)nc(C)n2)no1 72387648 OYGNCDIAQRXYRN-GFCCVEGCSA-N 316.365 1.636 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC 218558501 FOCCYJDNKLSTBP-QLFBSQMISA-N 315.410 1.708 0 40 DDAB Cc1cc(=NCc2cc(=O)n3ccccc3n2)[nH]c(C(C)C)n1 568024635 FGKFTKIDQUQPQA-UHFFFAOYSA-N 309.373 1.950 0 40 DDAB CN1C[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCC1=O 194981286 MSPTVNOSZYHUEL-HZSPNIEDSA-N 305.353 1.602 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC[C@@H]1c1ccccc1Cl 83599953 QPUALHPPSKUKDT-GFCCVEGCSA-N 316.810 1.553 0 40 DDAB C[S@@](=O)c1ccc(NC(=O)NCCCn2cccn2)cc1F 80129976 SBERSAJTBNWDPO-QFIPXVFZSA-N 324.381 1.971 0 40 DDAB O=C1N(CC2CC2)CC[C@@]12CCCN(c1ncc(F)cn1)C2 96224203 CHMDOODTZGBCMS-MRXNPFEDSA-N 304.369 1.845 0 40 DDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1c(F)cccc1Cl 96124347 WUQKXUUAYPBFCQ-SNVBAGLBSA-N 324.739 1.432 0 40 DDAB COCC(=O)N1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 96238554 HILANOWPOHNBKO-QGZVFWFLSA-N 302.374 1.597 0 40 DDAB CCc1nnc(Cn2cnc3nc(SC)sc3c2=O)o1 96409772 GWYXTFIDOPYUGM-UHFFFAOYSA-N 309.376 1.569 0 40 DDAB COc1ncnc2c1CN(CCC(=O)Nc1cc(C)on1)CC2 97202127 DYYYCZBEDSROGP-UHFFFAOYSA-N 317.349 1.169 0 40 DDAB CC(C)CC(=O)N1CC[C@]2(COCc3cnc(N(C)C)nc32)C1 96244032 FRYSIMNXUCCXKI-QGZVFWFLSA-N 318.421 1.589 0 40 DDAB CC(C)n1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)n1 96416127 MVCLSMKIXRLXSX-UHFFFAOYSA-N 318.352 1.901 0 40 DDAB Cn1ccnc1CN1CCc2ncnc(NC3CCC3)c2CC1 96255754 FFYGBVDGPIVTJH-UHFFFAOYSA-N 312.421 1.775 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@H]12 96251868 BQTTZAZDUKQHSQ-WMZOPIPTSA-N 315.417 1.933 0 40 DDAB c1ccc(NCc2cn3c(n2)CN(C[C@@H]2CCOC2)CC3)nc1 96197516 MRPQLGJVFUWGBX-AWEZNQCLSA-N 313.405 1.742 0 40 DDAB C[C@@H]1CCO[C@@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 97372131 DYEJEOQNBXXZAO-SWHYSGLUSA-N 322.792 1.765 0 40 DDAB O=C1C[C@H](c2ccncc2)C2(CCN(c3ncccn3)CC2)N1 96199918 VBWNBASUQKEHRP-CQSZACIVSA-N 309.373 1.514 0 40 DDAB CN(C)C(=O)N1Cc2c(cnn2C)[C@@H](COc2cccnc2)C1 96044671 PEUXZOMMCLSKCC-GFCCVEGCSA-N 315.377 1.475 0 40 DDAB COC[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242592283 OPPUZBNOEFEWEZ-WZRBSPASSA-N 318.778 1.568 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 257251547 JRFBVJYELMDXGQ-CYBMUJFWSA-N 301.350 1.084 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2cnc(C)nc2)CCO1 257313836 UUHHXGQMVDRNTN-CYBMUJFWSA-N 300.366 1.190 0 40 DDAB Cc1cnc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cn1 257228420 FTUFZWOXPRWKEA-CQSZACIVSA-N 313.361 1.747 0 40 DDAB O=S(=O)(N1CCCC1)N1CCC[C@H]1CCc1ccncc1 257271161 MXCNRNRRVNVLKX-HNNXBMFYSA-N 309.435 1.819 0 40 DDAB CN1CCC(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)CC1 257208543 BMPFXLYYEGXHOS-KRWDZBQOSA-N 301.434 1.844 0 40 DDAB Cn1nccc1CCC(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257325547 WTKWCQWQQXQMQR-ZDUSSCGKSA-N 301.394 1.557 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cccnn1 257224924 FDYVJOUIGMLSDI-ZDUSSCGKSA-N 313.361 1.049 0 40 DDAB COC(C)(C)C(=O)N1CC[C@@](O)(COc2cccc(C)c2)C1 585268929 DWBCZTJQRKXHSF-KRWDZBQOSA-N 307.390 1.762 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C(C)C)C2)no1 46198038 FNYZJPZRQZFDDX-TZMCWYRMSA-N 305.378 1.903 0 40 DDAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)sc1C 48250586 OQKNFBPJTHBFIL-UHFFFAOYSA-N 307.375 1.179 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)Nc1cn[nH]c1)N(C)C 49789641 MTPMZKXGIMKIBU-CYBMUJFWSA-N 303.366 1.843 0 40 DDAB CC(=O)NCCCC(=O)Nc1cccnc1N1CCSCC1 51989716 MDJMBJBXWBHIBL-UHFFFAOYSA-N 322.434 1.490 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 66237652 UALQGSUYKUKMDI-GUYCJALGSA-N 318.373 1.455 0 40 DDAB Cc1ccsc1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 66485976 RLECUZFDSZTKFF-CYBMUJFWSA-N 322.430 1.910 0 40 DDAB COc1ccc(C(=O)Cn2cnn(C(C)(C)C)c2=O)cc1OC 95997500 BDSZNINMOLREAE-UHFFFAOYSA-N 319.361 1.700 0 40 DDAB O=C(NCc1ncccc1F)N[C@H]1c2ccccc2C[C@@H]1O 89857875 FGCLAYNCCBIXJO-GJZGRUSLSA-N 301.321 1.678 0 40 DDAB COCCN1CCC(CNS(=O)(=O)c2cccs2)CC1 23127557 OQZJUIDIJKVGCW-UHFFFAOYSA-N 318.464 1.385 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NC(C)C)n1 16044273 PKJYVYJYAKYDOR-UHFFFAOYSA-N 312.395 1.049 0 40 DDAB Cc1ccc(CNc2nc([C@H]3CC(=O)N(C)C3)cc(=O)[nH]2)cc1 19210421 YFOQCXGFMYODQQ-ZDUSSCGKSA-N 312.373 1.636 0 40 DDAB Cc1cn(CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)nn1 19238748 DGADTAAUXKYZEY-UHFFFAOYSA-N 318.352 1.796 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c(F)c(=O)[nH]1 19579350 PPJQYCMWSZXUPW-VIFPVBQESA-N 322.365 1.960 0 40 DDAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccc(O)c1 6321646 UCIDIWBFDXUYSE-MDWZMJQESA-N 312.281 1.647 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 225808448 RCOZAKRMOWEYNQ-STQMWFEESA-N 303.362 1.821 0 40 DDAB O=C(NC1CC1)[C@H]1CN(Cc2nc3c(s2)CCC3)CCO1 1889071923 IZFYKXMEJLOXIZ-GFCCVEGCSA-N 307.419 1.111 0 40 DDAB Cc1nc(N2CC[C@@H](N3CCOC3=O)C2)cc(C(F)(F)F)n1 853806800 NGYOCTUHSUBUKW-SECBINFHSA-N 316.283 1.835 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2nc1C 29282215 WANMRJZYCDFXDH-VIFPVBQESA-N 304.375 1.874 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CC(Oc2cccnc2)C1 238966996 ZATJPKLUIOYRCO-UHFFFAOYSA-N 321.340 1.566 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 247517451 KIBKMHKWUBUFEX-XQQFMLRXSA-N 302.440 1.163 0 40 DDAB COc1ccc(CN2CCN(c3ncncc3F)C[C@H]2C)cn1 2086903800 DKRVZMBTQUHXQN-GFCCVEGCSA-N 317.368 1.730 0 40 DDAB CN(C)CCN1C[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]2C1=O 1565544441 KZKFKWVTPNBFJX-RVKKMQEKSA-N 319.449 1.211 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2O1)N1CCCC1 1565549618 WJUIATOHEFYECV-AVGNSLFASA-N 310.369 1.117 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(O)C=CCCC1 606440393 KHIBWJYFFCRJBU-QGZVFWFLSA-N 306.406 1.581 0 40 DDAB Cn1c(=O)c2c(Nc3ccc(F)cc3F)ccnc2n(C)c1=O 12227500 IKHWFEUMKGDCMS-UHFFFAOYSA-N 318.283 1.654 0 40 DDAB Cn1cc([C@H]2CN(C(=O)CCCn3cccc3)CCO2)cn1 97102771 FFDCIDJFSPMEOZ-OAHLLOKOSA-N 302.378 1.602 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N(C)Cc2ccccc2)on1 40106146 JTZOMUJMHORHCG-UHFFFAOYSA-N 322.386 1.556 0 40 DDAB Cc1cc(=O)n2nc(NCc3ccc4c(c3)OCO4)sc2n1 40487911 KKMIUFQRDDIGJE-UHFFFAOYSA-N 316.342 1.800 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 30935 HJQDOIANPPHDCA-UHFFFAOYSA-N 320.370 1.029 0 40 DDAB C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@@H](C)O1 28655535 RZJOHTRMZSMPCB-GHMZBOCLSA-N 310.781 1.706 0 40 DDAB COc1ccc(CC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 69557292 OSZYFNAZRYOPMC-INIZCTEOSA-N 316.401 1.755 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)Cc1noc2ccccc12 69558868 GVOXFWRIINUITO-LLVKDONJSA-N 301.346 1.627 0 40 DDAB Cc1cc([C@H]2CCCN2Cn2nnc3ccccc3c2=O)on1 40555898 IIFOQHWYFHMRAL-CQSZACIVSA-N 311.345 1.883 0 40 DDAB CC1=NN(S(=O)(=O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 4848502 NMRCBEJUWYLOTG-JTQLQIEISA-N 308.281 1.708 0 40 DDAB CN(C)c1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1 20733696 INYMEWSWVGWBLW-UHFFFAOYSA-N 302.334 1.275 0 40 DDAB CCN1C(=O)NC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 8769319 TWRVFEDMMGTOKF-UHFFFAOYSA-N 319.336 1.372 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[C@@H](C)C(N)=O 2664088 MNKMYQNJYGSVDZ-LXKVQUBZSA-N 313.357 1.919 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)NCc1ccncc1 32998100 FLIGKYKGMWIEKZ-UHFFFAOYSA-N 313.357 1.527 0 40 DDAB O=C(Cn1nnnc1C1CCCC1)N1CCO[C@H]2CCCC[C@H]21 52893605 AYBVXIUZTMOCSZ-KGLIPLIRSA-N 319.409 1.501 0 40 DDAB CCOC(=O)CCC(=O)c1ccc(CN2CCN(C)CC2)cc1 22027969 GVHCDIZODDPFQI-UHFFFAOYSA-N 318.417 1.960 0 40 DDAB Cc1ncc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)s1 53154463 OHNUWJKLAJGLSB-UHFFFAOYSA-N 310.423 1.604 0 40 DDAB c1coc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)c1 107738910 YRMDAMPUCRGRNC-DOTOQJQBSA-N 317.389 1.784 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)Cn1ccc(C(F)(F)F)n1 42534037 RLJFXCBOJAVECG-SECBINFHSA-N 301.272 1.303 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1cccnc1 23874525 IYTDFORYAOXPAN-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CN(C)c2ncnc3[nH]cnc23)C1 47403206 YIYYAIAMSHBKSG-QWRGUYRKSA-N 302.382 1.294 0 40 DDAB COCCOCCCNC(=O)c1ccc(Cn2cncn2)cc1 47631609 AWVJVAMTNGPYFH-UHFFFAOYSA-N 318.377 1.109 0 40 DDAB C[C@@]12CC[C@](C)(O1)[C@@H]1[C@@H]2[C@@]2(C)O[C@@]1(C)[C@H](C(=O)O)[C@@H]2C(=O)O 104595146 QIDVGQRHVGEPJG-LVRADNTESA-N 310.346 1.523 0 40 DDAB O=C(COc1cccc(F)c1)NCc1nnc2n1CCCCC2 24762789 FZXBCPGREORPQM-UHFFFAOYSA-N 318.352 1.839 0 40 DDAB Cc1nc(CC(=O)NC[C@@H]2COc3ccccc3O2)cs1 24858519 BLVKEEWMPXGCBY-GFCCVEGCSA-N 304.371 1.950 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](CC(C)C)N2CCOCC2)n(C)n1 43434067 NVSGQAKXOHBCJZ-CQSZACIVSA-N 323.441 1.597 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C[C@@H](O)CN2CCC(C)CC2)c1 106844103 WGQYTGNOZNNDBB-MSOLQXFVSA-N 320.481 1.749 0 40 DDAB Cc1cccc(N(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 55896555 MHVDPMWOQRIXPA-CQSZACIVSA-N 324.446 1.938 0 40 DDAB COc1cccc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c1 25348232 ZCKLYZLLFAURGJ-VMPITWQZSA-N 314.385 1.789 0 40 DDAB O=C(O)CCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 35687013 OJJZYPIRZQGWEZ-UHFFFAOYSA-N 314.744 1.712 0 40 DDAB COc1ccccc1N1CCN(CC(=O)NCCC(C)C)CC1 57827351 GCUWVJUDBXNSQD-UHFFFAOYSA-N 319.449 1.980 0 40 DDAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(=O)n(C)c1 58160339 BGWVKHJBWRDREO-UHFFFAOYSA-N 310.357 1.936 0 40 DDAB O=C(Nc1cc(C2CC2)n[nH]1)[C@@H]1CCCN(c2ncccn2)C1 58158109 QYBMHRUYPJHJKA-GFCCVEGCSA-N 312.377 1.932 0 40 DDAB Cc1nn(CC(=O)Nc2cc(C3CC3)n[nH]2)c(=O)c2ccccc12 58158118 TUPOLONGUYLGSZ-UHFFFAOYSA-N 323.356 1.944 0 40 DDAB CC(=O)N1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 27564685 PWGFDAADQQXRTF-UHFFFAOYSA-N 314.389 1.057 0 40 DDAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1CCCO1)c1ccccc1 44895213 HBIGFJCWWGEIQM-HUUCEWRRSA-N 314.389 1.988 0 40 DDAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 44893884 DOULHMGOYQKWOP-DGCLKSJQSA-N 311.403 1.697 0 40 DDAB CCCN(CC(F)(F)F)C(=O)c1ccc(OCC(N)=O)cc1 58272048 PMCRMKPDHLEJFQ-UHFFFAOYSA-N 318.295 1.965 0 40 DDAB COC(=O)[C@H](C)Sc1nnnn1-c1cc(OC)ccc1OC 58306570 AMPHIORGVBIXPU-QMMMGPOBSA-N 324.362 1.333 0 40 DDAB CCc1noc(CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)n1 58341867 KQQFFYVTQNIWFC-OAHLLOKOSA-N 318.308 1.738 0 40 DDAB CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N(C)C 27949060 KMJOGSYZJITHMP-GFCCVEGCSA-N 314.407 1.345 0 40 DDAB CN(C)S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 27957611 ADTZMLTZMXHPRL-UHFFFAOYSA-N 300.424 1.759 0 40 DDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCCC1 45299597 YYHKYVLHGMMLCZ-UHFFFAOYSA-N 308.382 1.047 0 40 DDAB COCCN(CCOC)C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 2323044 JVOOYPUZPHNMON-DLBZAZTESA-N 311.422 1.893 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(C)(C)C)c1C 3303740 OUXCDITXGWKFHA-UHFFFAOYSA-N 324.377 1.880 0 40 DDAB COCCN1C[C@H](C(=O)N(C)Cc2sccc2C)CC1=O 45318781 VWCJOHHBVPVJCV-GFCCVEGCSA-N 310.419 1.510 0 40 DDAB O=C(Nc1nnc(-c2ccco2)s1)[C@H]1CCS(=O)(=O)C1 48237429 ZNCCAOBXMWQLED-ZETCQYMHSA-N 313.360 1.171 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)N1 48252508 MELLCEZVPJXQQS-HUUCEWRRSA-N 318.373 1.139 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1cnc2ccccc2n1 12976187 RRMZYIRKUPMONK-VIFPVBQESA-N 304.375 1.956 0 40 DDAB COc1ccc2cc(C(=O)NCC(=O)NC3CC3)c(C)nc2c1 12923893 NSKFNDCGTINMDI-UHFFFAOYSA-N 313.357 1.560 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2ccncc2)n1 69624681 HMRQMBBNJQZXTI-OAHLLOKOSA-N 314.393 1.393 0 40 DDAB CC(=O)NCCNC(=O)c1cccc(Cn2nc(C)cc2C)c1 69617979 MQLMUMLITJGYCX-UHFFFAOYSA-N 314.389 1.414 0 40 DDAB Nc1nc(N)nc(COC(=O)/C=C/c2ccc(Cl)cc2)n1 17527221 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COCCC(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055739262 PAAFMYGNTXLZKG-LBPRGKRZSA-N 307.394 1.280 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713780 KNDHTBFKEFEZBT-CYBMUJFWSA-N 318.421 1.454 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@H]1CCc2n[nH]c(=O)cc2C1 225786321 XTOGCMYQJOLLSW-ZDUSSCGKSA-N 301.321 1.125 0 40 DDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc(O)cc1 12389639 PIWNMKLDCTZTOD-UHFFFAOYSA-N 313.317 1.003 0 40 DDAB O=C(CSc1nc2ccccc2[nH]1)NCCN1CCCC1 203530 NMXQCWCZJWXLKL-UHFFFAOYSA-N 304.419 1.867 0 40 DDAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 428749 HQLXLUZBMHZJFL-UHFFFAOYSA-N 308.403 1.770 0 40 DDAB CCn1cnnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 68488081 WNPGJRFWRHWCTA-UHFFFAOYSA-N 301.350 1.006 0 40 DDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccccc1O 69533531 KZRROPLKXQXBMX-UHFFFAOYSA-N 316.361 1.173 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)NC2CC2)C1 51045671 JXBISPFUXXHJDJ-ZFWWWQNUSA-N 301.390 1.204 0 40 DDAB Cc1c(C)c(N2C(=O)C=CC2=O)c(C)c(C)c1N1C(=O)C=CC1=O 1671520 PIXSVGBXTOZDIW-UHFFFAOYSA-N 324.336 1.779 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1 2512150 GIVOVVHLQZSIMC-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB NC(=O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4755450 SGQOBPHGKYGBLA-XXHBBNRNSA-N 316.744 1.750 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107263648 WZTUAIHCKFNPNF-ARFHVFGLSA-N 301.390 1.197 0 40 DDAB CN(Cc1ccncc1)C(=O)CCNC(=O)c1ccsc1 46045049 ULCZCFDFDABEJQ-UHFFFAOYSA-N 303.387 1.922 0 40 DDAB O=C(Nc1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 8735209 ZMXMHMPDIQJPCO-UHFFFAOYSA-N 323.360 1.374 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 52831987 AFFHXYSLNHYTJD-CQSZACIVSA-N 323.412 1.836 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)Nc1cnn(C[C@H]2CCCO2)c1 102942467 ROGMRVURGXLDJZ-CYBMUJFWSA-N 303.366 1.583 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccnc2ccnn12 89873282 NGWKVWIJKCVGGM-UHFFFAOYSA-N 320.312 1.078 0 40 DDAB CCOC(=O)N1CCN(CC(=O)c2ccc(O)cc2O)CC1 22625834 FQHOEIMAVGDPET-UHFFFAOYSA-N 308.334 1.055 0 40 DDAB COCCn1cc(NC(=O)NC[C@H]2Cc3ccccc3O2)cn1 46875663 GHHJKRYFYHWSFT-CQSZACIVSA-N 316.361 1.655 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1 12391926 OIXIFHPNDOMHKS-SNVBAGLBSA-N 323.399 1.283 0 40 DDAB COc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 54691582 UCAWCPLNFWVRMY-KRWDZBQOSA-N 312.369 1.971 0 40 DDAB COCCCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 51318170 PHHOKROTYPSDSS-UHFFFAOYSA-N 308.769 1.995 0 40 DDAB CC(C)C[C@@H](CN(C)C)NC(=O)NCc1nnc2ccccn12 89802476 JZCKCDSVFOOADI-ZDUSSCGKSA-N 318.425 1.505 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CSc1nncs1 25959331 FTNNLXLLXKIDIW-MRVPVSSYSA-N 321.383 1.287 0 40 DDAB O=c1oc(-c2cccs2)nn1C[C@@H](O)COCc1ccco1 44833944 AYWBBKGNCCKBQN-SNVBAGLBSA-N 322.342 1.736 0 40 DDAB Cc1cnc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)s1 58244912 BKFXTJBLLVSTFM-UHFFFAOYSA-N 315.358 1.340 0 40 DDAB COc1ncccc1NC(=O)C(=O)NCC1(N(C)C)CCCC1 44917524 XFGSZNSJOLSDFN-UHFFFAOYSA-N 320.393 1.019 0 40 DDAB Cc1nc(CCNC(=O)N[C@H](C)CN2CCOCC2)cs1 44953650 QZLJGINOAVPMLI-LLVKDONJSA-N 312.439 1.014 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)OCCO2 28057858 ICWWXOLVDSFWSH-WDEREUQCSA-N 313.375 1.256 0 40 DDAB Cn1cc(C(=O)C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cn1 58431054 ANRDQNVOAFPMDQ-ZJUUUORDSA-N 303.284 1.840 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCc1nnc2n1CCCCC2 48286948 IPWFWSOLUWZERG-CYBMUJFWSA-N 321.425 1.573 0 40 DDAB O=C(COc1ccccc1)NCCc1nnc2n1CCCCC2 48309930 FJINIXLTPDJPQZ-UHFFFAOYSA-N 314.389 1.742 0 40 DDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 12985105 LPPYYXJRXYKCBN-UHFFFAOYSA-N 314.341 1.886 0 40 DDAB Cc1ccc(Nc2nnc(SCC(=O)NC(N)=O)s2)cc1 3572652 SSAMOFTTXGJHIE-UHFFFAOYSA-N 323.403 1.877 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 70015959 IDMCHLZBURAHDP-JTQLQIEISA-N 300.761 1.618 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1COc2ccccc2O1 4275771 CKZCYKPVPXGUCC-LLVKDONJSA-N 304.327 1.626 0 40 DDAB Cc1cccn2cc(CC(=O)NCc3ccnc(N(C)C)c3)nc12 69414021 JJRQUCBRBJWASG-UHFFFAOYSA-N 323.400 1.963 0 40 DDAB COc1cc(NC(=O)c2nc3nccc(C)n3n2)cc(OC)c1 13986400 ZTYSAHTVYAZTIQ-UHFFFAOYSA-N 313.317 1.702 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@@H]1c1ccncc1 65433928 WECXCKUTMITRJW-OAHLLOKOSA-N 304.394 1.260 0 40 DDAB c1cc2c(cc1-c1n[nH]cc1CNC[C@@H]1CCOC1)OCO2 65479199 CFQXBJQSKGLUJC-NSHDSACASA-N 301.346 1.932 0 40 DDAB CC(C)c1nnc(Sc2ccc3nnnn3n2)n1C1CC1 14139356 BGMBDUVWXVSSMQ-UHFFFAOYSA-N 302.367 1.720 0 40 DDAB CN1CCO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1 65614888 AOODXFDGHHBLLC-KRWDZBQOSA-N 300.406 1.352 0 40 DDAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccco1 28048247 JLSGWTOWBMAOAY-LBPRGKRZSA-N 303.322 1.898 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)c1ccc2c(c1)OCCO2 6578357 AUTOUPLZNBEZMI-UHFFFAOYSA-N 323.308 1.446 0 40 DDAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2cccc(F)n2)CC1 69742247 CUNAWFNAMDKOAC-CYBMUJFWSA-N 320.412 1.790 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCc2cccc(OCC(N)=O)c2)c1 69742580 JAXOFKKKAUHUQR-KBPBESRZSA-N 316.405 1.795 0 40 DDAB O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 6940374 CIIMILFSPUUXIJ-CQSZACIVSA-N 322.792 1.803 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)o1 69815478 MJZQDFXKUROKKA-UHFFFAOYSA-N 314.319 1.150 0 40 DDAB Cc1cc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)on1 69874116 UEELSDQQVGJNDI-UHFFFAOYSA-N 304.354 1.152 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 7191825 AHPCBBGBTGBTRT-AWEZNQCLSA-N 312.373 1.593 0 40 DDAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)cc1 80525436 QWUIUZWMUGJPSC-CZUORRHYSA-N 313.357 1.728 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)O[C@H](C)C(N)=O)c(C)n2n1 7672733 RGVOUHGBBQTZQM-LLVKDONJSA-N 304.350 1.004 0 40 DDAB O=C(Cc1cc(Cl)ccc1Cl)NCC(=O)NC1CC1 71184900 MLKWUCBEZIJXBC-UHFFFAOYSA-N 301.173 1.931 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C(N)=O)c1ccccc1 89948737 YFRYGLIADYVLDL-BMFZPTHFSA-N 303.406 1.450 0 40 DDAB O=C(CN(Cc1cscn1)C[C@H]1CCCO1)N1CCCC1 76089857 GAOIOQSJAHTYNL-CQSZACIVSA-N 309.435 1.747 0 40 DDAB CCc1ccc([C@@H]2COCCN2CC(=O)Nc2nncs2)o1 76018022 GJXJLOBCAFNFET-NSHDSACASA-N 322.390 1.706 0 40 DDAB COc1cc(C)sc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76053340 WSWIQEROGBXTND-YPMHNXCESA-N 324.446 1.858 0 40 DDAB Cc1noc(C)c1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 71799541 NPPQQDZQBIKZLD-LBPRGKRZSA-N 322.365 1.147 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 83609701 VFMZESQMOMBYFM-GFCCVEGCSA-N 318.345 1.178 0 40 DDAB Cc1nc(-c2cccc(NC(=O)C(=O)NCC(C)C)c2)n[nH]1 77680150 AJOGWFMPWKDGQP-UHFFFAOYSA-N 301.350 1.491 0 40 DDAB Cc1nc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)cs1 72279628 RSJUCEGADHSFON-CQSZACIVSA-N 309.435 1.665 0 40 DDAB Cc1ccc(OC2CCN(C(=O)[C@H](C)n3cncn3)CC2)nc1 97085134 SSPLUICQXPDBGG-ZDUSSCGKSA-N 315.377 1.613 0 40 DDAB CN(C)CCC1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 97114656 WGYSAZOSOILKAU-AWEZNQCLSA-N 304.456 1.016 0 40 DDAB CNC(=O)CC1CCN(C(=O)COc2cccc(C)c2)CC1 72307238 JPQYRNPQOXDLBD-UHFFFAOYSA-N 304.390 1.749 0 40 DDAB CC1(C)NC(=O)N(Cc2ccnc(OC3CCOCC3)c2)C1=O 97232370 KSDSJUYUALEOOX-UHFFFAOYSA-N 319.361 1.470 0 40 DDAB O=C(CCc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 84528368 PBOJHLIWHLCOQQ-DLBZAZTESA-N 302.418 1.677 0 40 DDAB COC(=O)Cn1ncc2c(N3C[C@@H]4CCC[C@H]4C3)ncnc21 95410693 ZSQVTXHSSRMWIA-QWRGUYRKSA-N 301.350 1.236 0 40 DDAB O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 95949210 HKTMFIAIBGXSON-CHWSQXEVSA-N 308.378 1.101 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)o1 95982602 CFNSYEUBRGRJMK-DYEKYZERSA-N 312.435 1.917 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(CC)cc2)CC1 89284730 UIYLVESQCDGNLJ-KRWDZBQOSA-N 320.433 1.404 0 40 DDAB CCn1nc(C(=O)N2CCN(C)C[C@H]2C)c2ccccc2c1=O 89300034 ONUSKBXJEIMXHN-GFCCVEGCSA-N 314.389 1.193 0 40 DDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCNC(=O)C1 74907421 QCAWAAQWBXKAIP-AWEZNQCLSA-N 307.369 1.534 0 40 DDAB Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)c(=O)[nH]1 75119468 HQENQMDTBNHGCS-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB O=C(NCCOc1ccc(F)cc1)C(=O)Nc1nccs1 38731902 LWSXRIQSPXJIFY-UHFFFAOYSA-N 309.322 1.416 0 40 DDAB Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@H]2CO)nn1 187305370 RMUOXXOQSXKVGB-LBPRGKRZSA-N 304.325 1.312 0 40 DDAB Cn1c(=O)n(C)c2cc(CNc3ncnc4[nH]cnc34)ccc21 32537284 CHUDPKGKQPLEJQ-UHFFFAOYSA-N 309.333 1.155 0 40 DDAB C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCCCN1 521396571 WJEGRDZGIGAOIA-UAGQMJEPSA-N 316.449 1.550 0 40 DDAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cnccn1 32983480 JDKWWGBHUUMISV-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB Cc1ocnc1CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 553544563 MMZRLZBCLAINIA-KRWDZBQOSA-N 313.357 1.447 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NCc1nc(-c2ccncc2)no1 72401511 KCTMLHKLEZHQRA-GHMZBOCLSA-N 316.317 1.105 0 40 DDAB CN(CCc1nc(-c2ccccc2)no1)CCN1CCOCC1 77312381 KXKQZKWGIYKMNJ-UHFFFAOYSA-N 316.405 1.543 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1C 32689071 NLEYBWZZAIKJOJ-UHFFFAOYSA-N 315.329 1.195 0 40 DDAB Cc1nc(NC(=O)CSc2nnc3ncccn23)sc1C 35315855 RNUMQKHWWCYOGE-UHFFFAOYSA-N 320.403 1.928 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@H]1C=CCC1 32850778 HRXNMUOZXTZJSD-JTQLQIEISA-N 310.375 1.637 0 40 DDAB CN1C(=O)C[C@@H](C(=O)N2CCSCC2)[C@@H]1c1ccc(F)cc1 72242296 SGWJEPYZMIFVKF-HIFRSBDPSA-N 322.405 1.921 0 40 DDAB O=C(NC1CCC(O)CC1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 78998452 YQGCTRMBEJZMTE-SSHXOBKSSA-N 322.449 1.835 0 40 DDAB Nc1c(C(=O)O)cnc2nc(SCc3ccccc3)nn12 72415095 DXDHANSLPJPLFZ-UHFFFAOYSA-N 301.331 1.697 0 40 DDAB C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2)[C@@H]1CO 225510786 BMGOAXMGYZLOCX-IIAWOOMASA-N 303.406 1.678 0 40 DDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1Cl 225962443 RYECCPSNEKRHAH-UHFFFAOYSA-N 319.814 1.325 0 40 DDAB COc1ccccc1C(=O)N1C(=O)CN(C)C(=O)c2ccccc21 40385921 LISRFOKCTYTOSF-UHFFFAOYSA-N 324.336 1.954 0 40 DDAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCS(=O)CC1 80033940 SYKVQFCNMSBXDE-IHRRRGAJSA-N 301.452 1.951 0 40 DDAB CCS(=O)(=O)c1ccccc1N1CCC(n2ccnn2)CC1 225522465 ZYTZNPOWCJQVED-UHFFFAOYSA-N 320.418 1.913 0 40 DDAB CC[C@H]1c2ccccc2CCN1C(=O)[C@H](C)NS(C)(=O)=O 81408002 GBXSEFSUCQRALH-FZMZJTMJSA-N 310.419 1.460 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(Cc2nccs2)C3)n1 96038730 ODSJXOOXRZNWQV-BXUZGUMPSA-N 306.391 1.767 0 40 DDAB O=C(COC[C@]12COC[C@H]1CN(C1CCC1)C2)N1CCCC1 96108815 UPYNNIIKDHPWHG-PBHICJAKSA-N 308.422 1.126 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CCCN(C[C@@H]2CCCCO2)C1 96441633 HXLZXHICWONKKR-RYUDHWBXSA-N 308.344 1.946 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)Cc1ccon1 96427731 RBVPZFZFCHTSBO-AAEUAGOBSA-N 302.396 1.689 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181915 VHYGEAPVQHOJJW-GDBMZVCRSA-N 322.380 1.888 0 40 DDAB COC[C@@H](O)CN(C)Cc1nnc(-c2cccc(Cl)c2)o1 96424653 SIGQJNZNEKCNNX-LBPRGKRZSA-N 311.769 1.829 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)Cc1csc(C)n1)CC2 97198498 ATWHGZWRMXCKGN-JTQLQIEISA-N 305.407 1.279 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC[C@H](O)C3CC3)c2n1 533097923 QWQOKERGQJVNKN-ZDUSSCGKSA-N 306.387 1.592 0 40 DDAB C[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)N1CCOC[C@H]1C 245289707 DOUKKRWAPAYENX-KBUPBQIOSA-N 318.483 1.041 0 40 DDAB C[C@H]1c2nc(CC(=O)N(C)C)cn2CCN1Cc1nccs1 247957921 DHUKXCOPFBJLPM-NSHDSACASA-N 319.434 1.547 0 40 DDAB C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1 245316759 KNZGEPYVGSFWQC-OXGONZEZSA-N 310.438 1.560 0 40 DDAB Cc1nccc([C@H]2CCCN2C(=O)CCn2ccccc2=O)n1 257310915 UHDXTKUJNVNQMR-OAHLLOKOSA-N 312.373 1.701 0 40 DDAB OCCOc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 257205530 AZMIYUGCEUHCLU-IRXDYDNUSA-N 307.390 1.174 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(Cc2ccccc2)nc1 257273797 NIFVOEWBBLGDSD-INIZCTEOSA-N 309.369 1.681 0 40 DDAB N[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252515273 ICNAIGMPSMZXNG-ARFHVFGLSA-N 321.373 1.455 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccnnc3)cn2)n1 257325453 WSZGLFDYZZAQRN-UHFFFAOYSA-N 308.345 1.604 0 40 DDAB Cc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)[nH]n1 257276897 NVOTVPOWAYEVPW-AWEZNQCLSA-N 315.329 1.311 0 40 DDAB COc1cc(CCC(=O)N2CCO[C@H](c3cnccn3)C2)on1 257236976 HERBKVPPLLABSH-ZDUSSCGKSA-N 318.333 1.006 0 40 DDAB Cc1ccc(C2(O)CCN(CC3(O)CCOCC3)CC2)cc1 257334594 YGPOQSVYAZSHHV-UHFFFAOYSA-N 305.418 1.820 0 40 DDAB COc1ccccc1C(=O)N1CCN2[C@H](CN(C)CC2(C)C)C1 253398553 HGZJOQDHIXMBAE-CQSZACIVSA-N 317.433 1.546 0 40 DDAB biogenic,in-vitro COc1ccc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)cn1 257247847 JAVJKZSIXJDFTN-GFCCVEGCSA-N 314.345 1.606 0 40 DDAB COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)ccc1F 263132762 NGURGEXGDFLJEU-PSASIEDQSA-N 317.338 1.176 0 40 DDAB Cn1c(CNC(=O)c2ccc(C(=O)O)cn2)nnc1C1CCC1 647741368 AYAGBAUZXWCICM-UHFFFAOYSA-N 315.333 1.106 0 40 DDAB COc1ncc(NC(=O)c2cnc3ccccc3n2)cc1C(N)=O 390833606 KCEMYZUMRUIYRC-UHFFFAOYSA-N 323.312 1.385 0 40 DDAB C=CC(=O)N1CCC[C@@H]1c1nccnc1Nc1nccs1 585292233 YSQYPMRNFCEQJV-SNVBAGLBSA-N 301.375 2.526 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](CCNC(=O)c2cscn2)C1 585112239 LTJRYIMELJNBEK-GFCCVEGCSA-N 319.434 1.925 0 40 DDAB CN1N=C(C(=O)Nc2nc(-c3ccco3)cs2)CCC1=O 47171769 GLXNDPPXBJXMGX-UHFFFAOYSA-N 304.331 1.950 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCC(=O)c1cccs1 66369447 QZVHGVWLMQBICZ-JTQLQIEISA-N 317.432 1.603 0 40 DDAB CCc1noc([C@H](C)N2CCN([C@@H]3C[C@H](C)OC3=O)CC2)n1 69454466 KFQNABPRZIWMPU-SDDRHHMPSA-N 308.382 1.015 0 40 DDAB Cn1cnc2cc(C(=O)NCCOCc3ccccc3)cnc21 95997721 BFZGDFHVVAJKID-UHFFFAOYSA-N 310.357 1.915 0 40 DDAB CCc1nnc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)[nH]1 12146547 CRKRNPAWDSIBOF-UHFFFAOYSA-N 300.297 1.944 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)n(C)c3ncccc32)C1 12221970 WWTIZWVVEGFNNC-RYUDHWBXSA-N 302.378 1.240 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)Nc1ncccc1O 12643681 ZHTVTSMTRBZJFX-UHFFFAOYSA-N 315.329 1.554 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1OC 13119538 DHPRZEQLXRWFOD-XCCSTKFXSA-N 321.329 1.521 0 40 DDAB CN(C)c1ccnc(C(=O)N2CCC(N3CCCC3=O)CC2)c1 104941629 KICHUHFNXKZPKI-UHFFFAOYSA-N 316.405 1.375 0 40 DDAB CCOC(=O)C1CCN(CN2C(=O)c3ccccc3C2=O)CC1 19841859 ZEPRADBSCMLRJM-UHFFFAOYSA-N 316.357 1.515 0 40 DDAB O=C(C1CC(O)C1)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565547245 MXYIXQSXCZVZFJ-PYBGIAKNSA-N 301.390 1.028 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C1CC1 8986881 NKSCOBVMYKDLFU-JTQLQIEISA-N 302.330 1.294 0 40 DDAB COc1cn(CC(=O)Nc2ccc(F)cc2)c(CO)cc1=O 12230765 UDQIJJHNBFLMNI-UHFFFAOYSA-N 306.293 1.127 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 13791385 UZBPEQUCAKKVFX-ZDUSSCGKSA-N 324.402 1.499 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3cc[nH]c3)CC2)C1=O 2055784396 UCKCNVSMOPPCBO-QGZVFWFLSA-N 319.405 1.506 0 40 DDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)C2CC(F)C2)C1 2055771478 BHRHUGPDOJETEM-SEEARECTSA-N 322.384 1.037 0 40 DDAB COCC(=O)N1CCC2(CC[C@@H](CN(C)C(C)C)OC2)CC1 2055835370 QCJNAUZSLRSMPF-HNNXBMFYSA-N 312.454 1.761 0 40 DDAB c1cnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)nc1 1775978224 PUARXVJAJKVRSY-UHFFFAOYSA-N 308.345 1.853 0 40 DDAB COC[C@@](C)(CNC(=O)c1ccc(Br)o1)OC 575613861 XCFAHZJUOOWYRS-LLVKDONJSA-N 306.156 1.823 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)Cc1cc(F)ccc1F)OC 575612685 NRMMMOZPUJPANL-CYBMUJFWSA-N 323.361 1.436 0 40 DDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CSCCC(=O)N2)cc1 75171226 ZPEOYWYFMQFXAF-LBPRGKRZSA-N 322.386 1.424 0 40 DDAB O=C(NCC[C@@H](O)c1cccs1)C(=O)Nc1cccnc1 77115220 LEBDCESNILNYQY-LLVKDONJSA-N 305.359 1.322 0 40 DDAB CCOC(=O)[C@](NC(C)=O)(Nc1cccc(C)n1)C(F)(F)F 20458887 QKHMFFUWUCQAOY-LBPRGKRZSA-N 319.283 1.760 0 40 DDAB C[C@H](Sc1nnc(N)s1)C(=O)NC(=O)NC(C)(C)C 15699563 FPAZCIVUDLUWTM-YFKPBYRVSA-N 303.413 1.225 0 40 DDAB COC[C@@H](C)N(C)C(=O)Cn1cnc2ccc(F)cc2c1=O 40553963 KQWQRMDMJIFNOB-SNVBAGLBSA-N 307.325 1.029 0 40 DDAB COc1cc(C)c([C@@H](C)NC(=O)c2nccnc2N)cc1OC 40535587 NFKUEVXGKNFOGH-SNVBAGLBSA-N 316.361 1.875 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@@H](c2ccco2)N(C)C)cs1 31812154 BRZWRHBTNBYWEN-NSHDSACASA-N 322.390 1.727 0 40 DDAB O=C(NCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 3057224 YWXABAAOCYCJRV-UHFFFAOYSA-N 312.325 1.348 0 40 DDAB C[C@]12CC[C@@H]3[C@@H](CC[C@]45O[C@H]4C(=O)C=C[C@]35O)[C@@H]1CCC2=O 4292871 TWKOITGXPNYPJO-SLQTTXCMSA-N 302.370 1.799 0 40 DDAB COc1cc(OC)c([C@@H]2CC(=O)Nc3ncnn32)cc1OC 6169928 ISUMYSZAHPBWRS-VIFPVBQESA-N 304.306 1.236 0 40 DDAB CN(C)N1C(=O)C[C@]2(c3ccccc3)C(=O)c3ccccc3[C@@]12O 6490389 FMTGCPDYSAPBRS-OALUTQOASA-N 322.364 1.675 0 40 DDAB C[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1Cl 8766884 HOLXQPBSOXFXNC-SNVBAGLBSA-N 307.781 1.588 0 40 DDAB COc1cc(C(=O)NCc2cc[nH]c(=O)c2)cc(OC)c1OC 69564787 WQSNZVASSNXMGI-UHFFFAOYSA-N 318.329 1.331 0 40 DDAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)n1 46671780 JELFPYPJHBWRSP-UHFFFAOYSA-N 321.358 1.676 0 40 DDAB CCCCN(CC)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 32843967 HVBNUDDHBAKSHV-UHFFFAOYSA-N 317.389 1.729 0 40 DDAB Cc1nc2ccc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@H]43)cc2s1 32912388 ZPJKOYWIEKHWIO-JOYOIKCWSA-N 322.411 1.755 0 40 DDAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)NCCCn1cncn1 89929745 ICXJUISQXYPCLE-KBPBESRZSA-N 308.430 1.230 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2nc(-c3ccccn3)no2)n1 12389693 ROZBBRUNNVUMOT-UHFFFAOYSA-N 312.333 1.375 0 40 DDAB C[C@@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)CCO1 47130277 IIOXYXDWTCCBHQ-LLVKDONJSA-N 308.334 1.224 0 40 DDAB COC[C@@](C)(CCO)NCc1cc(OC)cc2c1O[C@H](C)C2 89941402 RJZFSLJPIAFUIB-SJKOYZFVSA-N 309.406 1.896 0 40 DDAB C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)[C@H]1CCCO1 23196544 SPVATIGUPWSSFL-SMDDNHRTSA-N 301.346 1.080 0 40 DDAB Cc1csc(=O)n1CC(=O)Nc1cccnc1-n1cccn1 23171466 YWADCCYJJSMHKF-UHFFFAOYSA-N 315.358 1.438 0 40 DDAB CCn1cnnc1CNC(=O)Nc1ccc(-n2ccnn2)cc1 75582466 HFAPIDQHSYLXGR-UHFFFAOYSA-N 312.337 1.200 0 40 DDAB CCCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 23946220 IGXQOGMBHNMHKG-MRXNPFEDSA-N 303.362 1.761 0 40 DDAB Cc1ccc(-n2nnn(CN3CCOCC3)c2=S)c(C)c1 23995845 WNHXGPOAZOEADT-UHFFFAOYSA-N 305.407 1.705 0 40 DDAB NC(=O)[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 52393919 ZERGPSJPLGBAAQ-MRVPVSSYSA-N 322.308 1.292 0 40 DDAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[C@@H]1CCCO1 1456977 FPHCOBKAEJTATF-KBPBESRZSA-N 304.346 1.922 0 40 DDAB CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccco3)ccc21 1431851 YSKBQQYIBSZBHN-UHFFFAOYSA-N 306.343 1.277 0 40 DDAB Cc1cnc(C(=O)OCC(=O)Nc2c(F)cccc2F)cn1 3216309 OPFDJIBXNIWARL-UHFFFAOYSA-N 307.256 1.859 0 40 DDAB O=S(=O)(CCn1nnc2ccccc21)NCC1CCCC1 26847516 PSLWQYYUNJGGOH-UHFFFAOYSA-N 308.407 1.541 0 40 DDAB CN(CC(=O)N[C@@H]1CCN(C2CC2)C1)C(=O)c1cccs1 58175391 BORTYVAKRRZZDQ-LLVKDONJSA-N 307.419 1.173 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(OC(F)(F)F)cc1 58190711 ZOMBDSUEPFCCDO-SNVBAGLBSA-N 302.252 1.594 0 40 DDAB CCCOc1ncccc1CNC(=O)N[C@H](C)C(=O)N(C)C 58209349 RQQUVPFTQBBEED-LLVKDONJSA-N 308.382 1.146 0 40 DDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(C)C 58314310 BPDBPKFJHUBAHK-UHFFFAOYSA-N 310.419 1.920 0 40 DDAB COc1cccc([C@H](CNC(=O)[C@@H](C)n2cncn2)N(C)C)c1 45195579 ABPLELGAKZMLLH-DOMZBBRYSA-N 317.393 1.267 0 40 DDAB CCc1nnsc1C(=O)NC1CCN(c2ccccn2)CC1 36392497 QZIRYDZIKSRONQ-UHFFFAOYSA-N 317.418 1.894 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)c2cnc3n(c2=O)CCS3)o1 48252910 WRNLGSSRZITLKE-SECBINFHSA-N 305.359 1.741 0 40 DDAB O=S(=O)(c1ccc(NC[C@H]2COCCO2)cc1)C(F)F 38062185 GAQXYXQLRZHTJG-JTQLQIEISA-N 307.318 1.510 0 40 DDAB Cc1cc(NC(=O)CN2CCCC[C@H]2Cn2cncn2)no1 69653090 UDZQZJVCFXKCPF-LBPRGKRZSA-N 304.354 1.068 0 40 DDAB Cc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n1 69625002 DKFBDCGQXTXUOR-LBPRGKRZSA-N 303.366 1.680 0 40 DDAB CC(C)CNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4045638 SLBUSPNFIMHBHF-BBRMVZONSA-N 316.357 1.619 0 40 DDAB biogenic O=C(NC[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)C1CC1 65417408 ZGBKSGKBJPWOLS-LBPRGKRZSA-N 323.418 1.190 0 40 DDAB CN1CCO[C@@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1 65625455 KJQADLNPITUUJT-AWEZNQCLSA-N 324.388 1.534 0 40 DDAB O=C1CCC(C(=O)OCC(=O)Nc2ccc(Cl)cc2)=NN1 6595556 XSTXFCGXYNIGRZ-UHFFFAOYSA-N 309.709 1.088 0 40 DDAB CCCCNC(=O)C(=O)NCC(=O)Nc1cccc(C)c1C 6590289 VPFOHPKCWZEVNC-UHFFFAOYSA-N 305.378 1.274 0 40 DDAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCS(=O)(=O)C1 14671065 JHHWIKDVJBVXPF-SSDOTTSWSA-N 314.363 1.809 0 40 DDAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)CCCC3 6719985 UOWBMETURGDVLB-UHFFFAOYSA-N 322.386 1.204 0 40 DDAB Cc1cc(NC(=O)CN[C@H]2CCc3nc(C(C)C)nn3C2)no1 70036385 OWFZNLZMSPNSCJ-NSHDSACASA-N 318.381 1.241 0 40 DDAB O=C(Nc1ccc(Br)cn1)[C@@H]1CC(=O)N(C2CC2)C1 67183713 FDVVYPNJIXHILA-MRVPVSSYSA-N 324.178 1.794 0 40 DDAB CCc1noc(CN(C)C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)n1 69768927 DYSRTBBAGQPDBM-CHWSQXEVSA-N 323.441 1.751 0 40 DDAB CNS(=O)(=O)c1cc(N)c(OCC(F)(F)F)cc1F 117161076 DGQAPUDRPYXACW-UHFFFAOYSA-N 302.249 1.257 0 40 DDAB O=C(Cn1cnnn1)N[C@H](COc1ccccc1)c1ccccc1 69812202 RZCIATZARZMGGA-MRXNPFEDSA-N 323.356 1.610 0 40 DDAB COCCC(=O)Nc1cc(CN2CCN(C)CC2)ccc1OC 71903914 GUYFSEJAFCCINE-UHFFFAOYSA-N 321.421 1.418 0 40 DDAB Cc1n[nH]cc1CN[C@@H](C(=O)N1CCOCC1)c1ccccc1 71837243 AKTIYUJWLCSOBP-MRXNPFEDSA-N 314.389 1.408 0 40 DDAB Cc1nnc2n1CCN(C(=O)Cc1c[nH]c3cc(F)ccc13)C2 71864829 DITRNQRFMZMHHA-UHFFFAOYSA-N 313.336 1.792 0 40 DDAB Cc1cccc(-c2noc(Cn3cnnc3[S@](C)=O)n2)c1 71804155 XIIDOJYBHNDBNU-OAQYLSRUSA-N 303.347 1.422 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCc1ccc(Br)c(F)c1 71843987 WIUDBLPJYYXCQX-LURJTMIESA-N 318.146 1.261 0 40 DDAB Cn1c(CN2CCO[C@@H](Cn3cncn3)C2)nc2ccccc21 72253402 MFDUTQACRGFMRC-CYBMUJFWSA-N 312.377 1.066 0 40 DDAB C[C@](O)(CNC(=O)Nc1nnc2ccccn12)c1ccsc1 72294243 XLZIMEBCQSZLFF-AWEZNQCLSA-N 317.374 1.820 0 40 DDAB Cc1nc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 84274734 PPZJNIRJCJUDAI-AWEZNQCLSA-N 308.407 1.356 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CCc2nccn2C1 97197473 WDPGWRCMOXJKEP-VIFPVBQESA-N 313.283 1.230 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)Nc1n[nH]c2ccccc12 79479442 RMSSZQIBHZKFOK-UHFFFAOYSA-N 319.324 1.912 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@H](C)[C@@H](N(C)C)C1)C2 84714272 UZEFCOOTGIPIIU-BJJXKVORSA-N 318.417 1.655 0 40 DDAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)c(F)c1 95433606 ACHRIFBSEYAIRK-GFCCVEGCSA-N 307.369 1.762 0 40 DDAB COCC1(C)CCN(C(=O)Cn2nnc3ccccc32)CC1 95459627 ZUYAFNQFMZQPJK-UHFFFAOYSA-N 302.378 1.706 0 40 DDAB CN1CCN(C)c2cc(NC(=O)CCn3cccn3)ccc2C1 95993463 VQBLDIBBGKZAIT-UHFFFAOYSA-N 313.405 1.794 0 40 DDAB O=C(O)c1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)c1 95989550 NNVBGKFRCXTWBH-MGPQQGTHSA-N 303.362 1.791 0 40 DDAB CO[C@H]1CCCN(c2cc(N3CCC[C@H](OC)C3)ncn2)C1 95946005 AIIQTTGIYSQCOA-KBPBESRZSA-N 306.410 1.707 0 40 DDAB Cc1csc(CCNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75111241 RBPGXIDPAZJNEY-UHFFFAOYSA-N 320.418 1.799 0 40 DDAB CC(C)Cn1nnc(NC(=S)NC(=O)/C=C/c2ccco2)n1 21596173 ZMDCJGQPHYUGHS-AATRIKPKSA-N 320.378 1.449 0 40 DDAB C[C@H]1C[C@H](N2CCCC2)CN1C(=O)N=c1cc2ccccn2[nH]1 554534262 OIYLEVMEUSMBDJ-ZFWWWQNUSA-N 313.405 1.847 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 65578032 BZLJUHHHRJXVJS-GFCCVEGCSA-N 314.345 1.103 0 40 DDAB CO[C@@H](C(=O)N1CCC(O)(Cc2ccncc2)CC1)C1CC1 515485928 LGPZFFIYNDUDAU-OAHLLOKOSA-N 304.390 1.403 0 40 DDAB CCOc1ccc2[nH]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1 34791689 XMQGDTTWUCFHGE-GFCCVEGCSA-N 316.357 1.836 0 40 DDAB CCN1CCO[C@H](C(=O)Nc2ccc(N(CC)CC)nc2)C1 72968416 BSXPBYSCTVFFPR-AWEZNQCLSA-N 306.410 1.587 0 40 DDAB C[C@H](c1n[nH]c(=O)[nH]1)n1cnc2sc3c(c2c1=O)CCCC3 32581789 LNXNQFNNYOBAAA-SSDOTTSWSA-N 317.374 1.358 0 40 DDAB Cc1cc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)ccn1 72366742 MFJVZTBHBKSOQA-UHFFFAOYSA-N 320.418 1.692 0 40 DDAB CCO[C@H]1C[C@@](O)(CNCc2cnc3ccccn23)C1(C)C 188926669 QPMFPAXKHMCZNX-WMLDXEAASA-N 303.406 1.990 0 40 DDAB Cn1ccnc1CN1CCC[C@H](Nc2ncccc2F)C1=O 543048223 CVDBVWVLGIEGMY-LBPRGKRZSA-N 303.341 1.557 0 40 DDAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C1(CO)CO 218038480 ZXSIRHQSPQZAHM-HZPDHXFCSA-N 318.394 1.597 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O 218470635 NSWHTGUSYRGYPH-OWCLPIDISA-N 311.447 1.741 0 40 DDAB CN1CCC[C@@H](C(=O)NCc2cccc(N3CCCC3=O)c2)C1 72954759 GRPCURYBYVCKSV-OAHLLOKOSA-N 315.417 1.771 0 40 DDAB COc1ncccc1CNC(=O)c1cc2ccccc2c(=O)[nH]1 30305456 ATJLAODSHOCYAF-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CCN1CCO[C@H](C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)C1 73514311 OOWZKPXKTSGEDV-WBVHZDCISA-N 323.481 1.620 0 40 DDAB Cc1noc(COC(=O)c2ccc(-n3cncn3)c(F)c2)n1 76913740 YFZPWSWFACXCTL-UHFFFAOYSA-N 303.253 1.455 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)C(=O)O 218552994 UIKGRSJWKLGRHI-NTZNESFSSA-N 317.794 1.270 0 40 DDAB Cn1cc(N2CCC[C@@H](NC3CCC4(CC3)OCCO4)C2)cn1 186213193 ARMZHWOCWBZFHB-OAHLLOKOSA-N 320.437 1.664 0 40 DDAB CN(C)c1cnnc(N2CCN(C(=O)c3ccccc3)CC2)c1 224306985 MAYCVUIRVUBXDV-UHFFFAOYSA-N 311.389 1.505 0 40 DDAB CN(c1cccc(NC(=O)c2cccnc2)c1)S(C)(=O)=O 225428863 HMYVBFDZJZGEAK-UHFFFAOYSA-N 305.359 1.730 0 40 DDAB CN(C)C(=O)CNC(=O)CCCn1cc(-c2ccccc2)cn1 227165144 RYBUKYFRCMNANO-UHFFFAOYSA-N 314.389 1.535 0 40 DDAB Cc1cnc(C)c(N2CCCN(C(=O)c3ccncc3)CC2)n1 195563685 ZLYUPQIHKSZMFV-UHFFFAOYSA-N 311.389 1.841 0 40 DDAB CCc1cccc2c(CCNS(=O)(=O)[C@@H]3CCOC3)c[nH]c12 96453017 WMYLYGZTOIHYJS-CQSZACIVSA-N 322.430 1.981 0 40 DDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccccc1)C2 96038837 NNCCCDQDXSOEON-SJLPKXTDSA-N 316.401 1.832 0 40 DDAB COC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)N1C 96209537 QINGWAVKFBAMBE-AWEZNQCLSA-N 306.406 1.924 0 40 DDAB CCn1nnc2c1[C@H](COC)CN(C(=O)Cc1cccs1)C2 96045517 NPTAUIYVUGIGAJ-NSHDSACASA-N 320.418 1.674 0 40 DDAB O=C(NC1CCCC1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96253213 SYEQPGLJHXMFSD-QLFBSQMISA-N 321.421 1.350 0 40 DDAB O=C(C[C@@H]1CO[C@@H]2CN(CC3CC3)C[C@H]12)Nc1cnccn1 96215660 RQMMOAMBUJHQRD-MGPQQGTHSA-N 302.378 1.162 0 40 DDAB c1ncc(O[C@@H]2C[C@@H]3CN(Cc4nccs4)CCN3C2)cn1 96055011 VUFOFFZRZXYDCE-CHWSQXEVSA-N 317.418 1.271 0 40 DDAB CC(C)c1cc(C(=O)NCCCn2ccnc2)nc(N(C)C)n1 96101167 HHLHYRIPUYBEDW-UHFFFAOYSA-N 316.409 1.683 0 40 DDAB COc1cccc(CC(=O)N(CC(=O)O)C2CCOCC2)c1 531747752 OVRLEHCIWCMOOE-UHFFFAOYSA-N 307.346 1.330 0 40 DDAB O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)C1CC1 96185302 CAOMQMVCMAFFHP-ZACQAIPSSA-N 315.417 1.445 0 40 DDAB CC(C)N1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1 96107922 FDPAPRAWXKAWQM-TZMCWYRMSA-N 302.440 1.100 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)O 236771183 ZLIKBCBPPGIQHH-ZDUSSCGKSA-N 304.346 1.874 0 40 DDAB O=C(Cc1ccon1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 331512464 JHFCXMDNZZNLIQ-RISCZKNCSA-N 308.284 1.830 0 40 DDAB OC[C@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 95948539 TUMCCEGHKOOBJG-LLVKDONJSA-N 303.318 1.422 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)Cn1cncn1 96484422 UZKOKQGLMKYWAU-NSHDSACASA-N 319.413 1.024 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4scnc4C)C[C@H]3O2)n1 96219624 MSRRDEWXAMALPD-YNEHKIRRSA-N 320.418 1.975 0 40 DDAB CCN(C)S(=O)(=O)NCCc1nnc(-c2ccccc2)o1 96475493 NRDXWFKTSWFPJF-UHFFFAOYSA-N 310.379 1.065 0 40 DDAB CSCC(=O)NCC1(CN2CCOCC2)CCCCC1 96459204 MWSWMOSNALVNLC-UHFFFAOYSA-N 300.468 1.748 0 40 DDAB Cc1ccc(N2CC3(C2)OCC[C@H]3COc2cccnc2)nn1 247951047 YIXJAZIPGITGHA-AWEZNQCLSA-N 312.373 1.854 0 40 DDAB COc1cccc(C(=O)N2Cc3cncn3[C@H](CN(C)C)C2)c1 248138382 SLRPQCVBMPYKGQ-OAHLLOKOSA-N 314.389 1.650 0 40 DDAB C[C@@H]1CN(Cc2nc(-c3cccnc3Cl)no2)CC[C@H]1O 245227480 OKMUEJNICCBMHH-MWLCHTKSSA-N 308.769 1.988 0 40 DDAB COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 242437256 BVEMMXPFHBPUFB-WZRBSPASSA-N 317.407 1.255 0 40 DDAB Fc1cnc(N2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)nc1 247530128 OLZUFOVXDFANHH-LBPRGKRZSA-N 317.324 1.223 0 40 DDAB Cc1ocnc1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257306131 STBFOFYIDLRGFZ-UMVBOHGHSA-N 307.394 1.481 0 40 DDAB CN(C)S(=O)(=O)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257246871 IWEZBYCVXPLANR-NHAGDIPZSA-N 310.419 1.582 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257311451 UJNIWKINSHICGI-MRXNPFEDSA-N 319.405 1.224 0 40 DDAB Cc1nc(CN2CCOC[C@@H](Cc3ccncn3)C2)cs1 257333621 YCHUKXVSFZEBJP-ZDUSSCGKSA-N 304.419 1.933 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1F 536992485 JCYDBNRVDITJSC-UHFFFAOYSA-N 313.310 1.367 0 40 DDAB CN(C(=O)Cc1ccsc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257278396 OCBWHSCBYKXCHY-UMVBOHGHSA-N 305.403 1.710 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnco1 257233985 GROVWDGURRXIJL-ZGMNHVEMSA-N 303.362 1.679 0 40 DDAB Cn1ccc(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)n1 257282789 OVHSWUUXVGTJEA-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB CCn1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cn1 257242206 IBMZPXWAWNJQSZ-LBPRGKRZSA-N 315.377 1.517 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 257325237 WSARPHAKRLPJJF-JTQLQIEISA-N 307.379 1.006 0 40 DDAB CCCn1ccc(C(=O)N2CCO[C@@H](c3ccncc3)C2)n1 257248838 JFKSNGURZKZXNP-OAHLLOKOSA-N 300.362 1.902 0 40 DDAB CCOc1ccc(NC(=O)C(=O)NCCc2ccoc2)cc1 90607438 CORFSTKRXMXSPS-UHFFFAOYSA-N 302.330 1.976 0 40 DDAB COC[C@]1(CC(=O)NCc2ccccc2F)CCCN1C(C)=O 585281430 XILSMHBWGRBYDH-QGZVFWFLSA-N 322.380 1.860 0 40 DDAB CO[C@@]1(COc2ccccc2C)CCCN(C(=O)CCN)C1 585275130 XVXFIZNAXQVUIB-KRWDZBQOSA-N 306.406 1.730 0 40 DDAB CNC(=O)[C@H]1CCCN1CCOc1cccc(C(=O)OC)c1 67978790 BIJGANGLQHKBHA-CQSZACIVSA-N 306.362 1.062 0 40 DDAB COc1ccc(C(=O)CCCC(=O)N2CCC[C@H]2C(N)=O)cc1 69670092 UDBKLTHGTJCCDS-AWEZNQCLSA-N 318.373 1.525 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 96098082 WJEATBRQBWJBFQ-LLVKDONJSA-N 321.320 1.965 0 40 DDAB Cc1ccoc1/C=C1\C(=O)Nc2ccc(S(N)(=O)=O)cc21 98056058 MIEZLXMVOLOIJY-XFFZJAGNSA-N 304.327 1.728 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 5575319 ZQDRFDLWYRFTEI-UHFFFAOYSA-N 311.388 1.646 0 40 DDAB Cc1ccc(OCCCC(=O)NCCN2CCOCC2)cc1 14398176 BXGKOGZHTSDWHG-UHFFFAOYSA-N 306.406 1.602 0 40 DDAB O=C(NCCC1CCCC1)[C@@H]1CN(c2ncccn2)CCO1 19747262 NBTJAUJVFSGNKN-AWEZNQCLSA-N 304.394 1.378 0 40 DDAB CN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 20830430 YQABPBODPJZWTC-UHFFFAOYSA-N 324.450 1.444 0 40 DDAB O=C1CCc2cc(S(=O)(=O)NC3CCCC3)cc3c2N1CC3 5153438 FYIYFCHQLKSXHU-UHFFFAOYSA-N 320.414 1.743 0 40 DDAB CCC(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4CC)C[C@H]2C1 1888856986 IIAXWZQVYYKIHZ-VXGBXAGGSA-N 314.393 1.151 0 40 DDAB CN([C@@H]1CCN(c2nc3ccccc3s2)C1)S(C)(=O)=O 1888863915 DOGPHWZSJOMJQA-SNVBAGLBSA-N 311.432 1.766 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C(=O)OC 24273214 UWRCNNXZLQXNSS-GFCCVEGCSA-N 304.302 1.274 0 40 DDAB O=C(NCCS(=O)(=O)NCc1cccs1)c1ccccc1 4940921 JJPUVMLJMPQYEU-UHFFFAOYSA-N 324.427 1.598 0 40 DDAB CC(C)C(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055730114 BFYOQVWURWLWFX-LBPRGKRZSA-N 307.394 1.136 0 40 DDAB O=C(CSc1ccc(F)cc1)N1CC(Cn2ccnn2)C1 1775966263 YVJOHUCIJUCKKW-UHFFFAOYSA-N 306.366 1.668 0 40 DDAB COc1nc(CNC(=O)Nc2ccc(C)c(F)c2)nc(OC)n1 575606279 HEHOUBOONRDOQX-UHFFFAOYSA-N 321.312 1.658 0 40 DDAB O=C(OCC(F)(F)F)N1CCN(c2cccnc2)C(=O)C1 585150193 JLTBBRMCSSEXNR-UHFFFAOYSA-N 303.240 1.429 0 40 DDAB Cc1ccc(=O)n(CC2CN(c3ncnc4cc(C)[nH]c34)C2)n1 585603498 XMYLGWVMIPPXCS-UHFFFAOYSA-N 310.361 1.268 0 40 DDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccc1F 16842598 LRUVXPLGZUJTQX-UHFFFAOYSA-N 313.310 1.526 0 40 DDAB Cc1ccccc1OCCN1C(=O)N[C@]2(CCSC2)C1=O 22523363 SEOQSTCEBXBCPG-HNNXBMFYSA-N 306.387 1.801 0 40 DDAB Cc1csc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)n1 101504926 QIKQRDOMOIIDMT-UHFFFAOYSA-N 318.362 1.062 0 40 DDAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 28869106 UVYGUWZSMOBHNM-SSDOTTSWSA-N 303.240 1.137 0 40 DDAB Cc1ccc(-c2noc(CN3CCCC[C@@H]3C(N)=O)n2)cc1 15479507 HSIOVIFVWNOASJ-CYBMUJFWSA-N 300.362 1.885 0 40 DDAB Cc1cc(NC(=O)CN(CCC2CCCCC2)CC(N)=O)on1 69433656 FZKHRKWUJSWXST-UHFFFAOYSA-N 322.409 1.679 0 40 DDAB COc1ccc(C)cc1[C@H](O)CN1CCN(C(=O)C(C)C)CC1 51124622 OXUOXJRIKATVMH-MRXNPFEDSA-N 320.433 1.837 0 40 DDAB Cc1c(C(=O)N2C[C@@H](C)OC[C@@H]2C)nnn1-c1ccc(F)cc1 45899402 IZJHOJQCYGIRGY-WDEREUQCSA-N 318.352 1.964 0 40 DDAB CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 102012491 LLGXVYIDBJEJNB-IHRRRGAJSA-N 303.406 1.167 0 40 DDAB COc1ccccc1NC(=O)CN1C(=O)C(=O)c2ccccc21 2025791 OEYRHSFFDQYLQZ-UHFFFAOYSA-N 310.309 1.863 0 40 DDAB O=C1CC2(CCN(C(=O)c3ccncn3)CC2)CN1CC1CC1 108534432 XIRPHBPVHPGGJE-UHFFFAOYSA-N 314.389 1.341 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(F)cc2)s1 102741540 SVQURDLVBKBSCP-WNEGCBGQSA-N 305.374 1.800 0 40 DDAB O=C(Nc1nnc(Cc2ccc3c(c2)OCCO3)o1)C1CC1 9812501 IGTAMQKEDYNJLC-UHFFFAOYSA-N 301.302 1.780 0 40 DDAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(O)cc1 101964774 SABJRAZCMVQGKK-YLFCFFPRSA-N 304.342 1.610 0 40 DDAB c1cc(CNc2ccc3nnnn3n2)cc(N2CCCCCC2)n1 89808162 IUYUZJHSXYKRRA-UHFFFAOYSA-N 324.392 1.907 0 40 DDAB Cc1cccn2c(=O)cc(CN(CC(N)=O)C3CCCC3)nc12 52826362 MOADHEBTBYXPLO-UHFFFAOYSA-N 314.389 1.233 0 40 DDAB CC[C@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)O)C1=O 33518123 XIFVUTTTWAPFFS-GFCCVEGCSA-N 320.345 1.172 0 40 DDAB O=C(c1nc(-c2ccncc2)no1)N1CCCC[C@H]1CCO 12390274 FVECSFLVFVXPIJ-LBPRGKRZSA-N 302.334 1.509 0 40 DDAB NC(=O)CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2 100433743 FIEWBQWRFAQKJK-ZIAGYGMSSA-N 302.378 1.289 0 40 DDAB CC1(C)CN(C(=O)[C@@H]2CCC(=O)N2)CCN1Cc1ccccc1 104650284 VMYNKSKMWIOKCT-HNNXBMFYSA-N 315.417 1.388 0 40 DDAB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 100187911 UPAAXCOGBXELPE-AVRGHOLYSA-N 303.289 1.021 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3nccs3)CC2)on1 54548325 PRRYZQUYCAIYSN-LLVKDONJSA-N 321.406 1.589 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)c1ccc(N2CCC(C)=N2)cc1 54776811 LRDJVMZIISBZBW-UHFFFAOYSA-N 316.405 1.823 0 40 DDAB Cc1ccc(CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C2CC2)o1 42870647 KGDXPCDTGFSGMA-LLVKDONJSA-N 312.391 1.449 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCCN1CCCCCC1 24102194 CUJNOIJHEVQPMQ-UHFFFAOYSA-N 315.439 1.836 0 40 DDAB C[C@H](CNC(=O)N[C@H]1CCOc2ccccc21)N1CCOCC1 47865704 CNYLVVOMDFJUQH-HIFRSBDPSA-N 319.405 1.530 0 40 DDAB COC(=O)CCCNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 47859736 LBPKLFASMMJUCJ-AWEZNQCLSA-N 319.405 1.765 0 40 DDAB O=C(NCCNc1cnccn1)N[C@@H]1CCOc2ccccc21 43165987 PUWNEIBMTJZFLU-CYBMUJFWSA-N 313.361 1.712 0 40 DDAB C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccn(C)n1 28233745 JWYRWGJNWGJJLH-QMMMGPOBSA-N 312.171 1.654 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)n1 106663029 ZPUBDMKXYRTQFP-JHJVBQTASA-N 322.409 1.576 0 40 DDAB O=c1c2sccc2n2c(S)nnc2n1C[C@H]1CCCO1 21730409 ZJBBYQZBCJABAY-SSDOTTSWSA-N 308.388 1.573 0 40 DDAB O=C1[C@H]2Cc3ccccc3CN2C(=O)[C@H]2Cc3ccccc3CN12 1430718 GNGZJTLHEDWLAM-QZTJIDSGSA-N 318.376 1.907 0 40 DDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccco1 1441662 UITVBKOACPUPAB-LBPRGKRZSA-N 307.331 1.310 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)N1CCCC[C@H]1C)OCC(=O)N2 20491632 XQXNBSRTQKOMCR-LLVKDONJSA-N 324.402 1.889 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NC[C@H]1CCCOC1 55923291 LAVILBTZJBFNAU-CYBMUJFWSA-N 315.373 1.329 0 40 DDAB C[C@H]1Cc2ccccc2N1CCNC(=O)NC[C@H]1COCCO1 107318539 UNMLZPQKZQIZJE-ZFWWWQNUSA-N 319.405 1.152 0 40 DDAB CC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)C(C)C 57458868 BXTQGRVOVVBWSD-TZMCWYRMSA-N 316.405 1.876 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 3345818 RDMXXGURWSELBF-RYUDHWBXSA-N 307.394 1.356 0 40 DDAB Cc1sc2nc(CN3CCC(CN)CC3)[nH]c(=O)c2c1C 44513379 YKVKFNLVGXWIPU-UHFFFAOYSA-N 306.435 1.772 0 40 DDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CCC(N)=O)C2=O 44871052 NXNNFEDGAPHHMX-UHFFFAOYSA-N 309.410 1.779 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)COCCOc2ccccc2)C1 58210290 BHWUTSUXBQYPFV-MRXNPFEDSA-N 320.433 1.929 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1Cl 58244362 SLCSEJNNVIEVTQ-JTQLQIEISA-N 318.826 1.674 0 40 DDAB CN(Cc1ccccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 44979993 HRQTVMWJWKMXQU-UHFFFAOYSA-N 320.374 1.393 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC2)cc1F 48299755 IJSWJYBJWFWTPG-LLVKDONJSA-N 316.398 1.597 0 40 DDAB CC(C)NC(=O)N1CCC[C@H](C(=O)NO[C@@H]2CCCCO2)C1 58419958 XETZTBPELJZHSA-QWHCGFSZSA-N 313.398 1.391 0 40 DDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15905609 CWTRIYDJEQTLDI-BASYENTBSA-N 310.353 1.252 0 40 DDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 12812232 WMROVLYBQWFEIP-HNNXBMFYSA-N 320.389 1.796 0 40 DDAB CC(C)c1nn(C)c(Cl)c1CNC[C@H]1CCS(=O)(=O)C1 48520184 VDDDLMSOXGGDQD-SNVBAGLBSA-N 319.858 1.721 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1C 16039550 DPMITAGBRCFRKI-UHFFFAOYSA-N 311.385 1.954 0 40 DDAB Cc1ccsc1[C@H](C)NC[C@@H]1CCN(S(C)(=O)=O)C1 90797403 UDIHQBZZPVYKQE-RYUDHWBXSA-N 302.465 1.989 0 40 DDAB CCc1ccc(S(=O)(=O)N(CC(N)=O)CC(C)C)s1 49240887 VRULKUMMKCPXPB-UHFFFAOYSA-N 304.437 1.443 0 40 DDAB COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4127050 XQUCOWVOYICUFX-RVSPLBMKSA-N 316.357 1.652 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)[nH]1 16510490 JUBIHCQBRXCMSR-UHFFFAOYSA-N 323.352 1.763 0 40 DDAB CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2 65487867 DYRKEWDTKAUZQU-UHFFFAOYSA-N 301.140 1.095 0 40 DDAB O=C(Cc1c(O)c2ccccc2[nH]c1=O)NCc1ccccn1 6494031 FLHKLNUPPZMWAG-UHFFFAOYSA-N 309.325 1.488 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1F 6538108 PECCRHPENPLYDI-UHFFFAOYSA-N 308.265 1.926 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 69699902 GAGDOPCJEXQLPT-YUELXQCFSA-N 305.422 1.083 0 40 DDAB CCOC(=O)c1c(C)oc2ncn(Cc3cc(C)no3)c(=O)c12 8252433 DOKYQLDDSJYFHE-UHFFFAOYSA-N 317.301 1.819 0 40 DDAB COCCc1noc(CN2CCC[C@H]2Cn2nc(C)cc2C)n1 70006638 MBPCTPOAAOWIHR-AWEZNQCLSA-N 319.409 1.736 0 40 DDAB Cc1ccsc1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 66485977 RLECUZFDSZTKFF-ZDUSSCGKSA-N 322.430 1.910 0 40 DDAB COc1ccnc(N2CCN(C(=O)CC3CCCC3)CC2)n1 69381966 LATLXRLZRZFETR-UHFFFAOYSA-N 304.394 1.714 0 40 DDAB O=C(NCCN1CCOCC1)Nc1ccccc1OC(F)F 69378206 DUDQBOOXLOROMZ-UHFFFAOYSA-N 315.320 1.742 0 40 DDAB CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C 4943958 HOETXQZTNDPJJW-SNVBAGLBSA-N 300.355 1.064 0 40 DDAB NS(=O)(=O)CCCOC(=O)c1ccccc1C(F)(F)F 71914286 XESLGUPQLPNDIN-UHFFFAOYSA-N 311.281 1.541 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C)CO1 96007592 KKMDUOAWZZDGCG-RKDXNWHRSA-N 324.324 1.898 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)c2ccoc2C)c(=O)[nH]c1=O 9314788 HWCPBDBAAIHHIY-UHFFFAOYSA-N 320.349 1.097 0 40 DDAB C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H](c2ccccc2)O1 71827211 LOKHYWAQSBPURB-ZFWWWQNUSA-N 300.362 1.657 0 40 DDAB COc1ccc(CCC(=O)N2CCCn3ncnc32)cc1F 71826671 VHVASVDWYJRYRS-UHFFFAOYSA-N 304.325 1.795 0 40 DDAB CC(C)[C@@H](NC(=O)c1cnn[nH]1)c1nc(-c2ccccc2)no1 71839359 ATCPNBWXYVNFTO-GFCCVEGCSA-N 312.333 1.982 0 40 DDAB Cn1cc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cn1 71870730 NFXJYROSEKUYHB-AWEZNQCLSA-N 316.409 1.435 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)C2=NN(CC)C(=O)CC2)no1 72299319 PIBLHMNRISIWBV-NSHDSACASA-N 319.365 1.294 0 40 DDAB CC(C)[C@@](O)(C(=O)NCCC(=O)N1CCCC1)c1ccccc1 72313824 URMCBVNZDZGASD-SFHVURJKSA-N 318.417 1.659 0 40 DDAB Cc1nnc2ccc(N[C@H]3CCO[C@@]4(CCSC4)C3)nn12 95426376 QFPLZRRPAOLWKD-FZMZJTMJSA-N 305.407 1.899 0 40 DDAB Cc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c(=O)[nH]1 95464773 MPWHFILCWYFGHC-CYBMUJFWSA-N 324.739 1.939 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 78881313 QAHAQQFQDJZLQE-SNVBAGLBSA-N 313.379 1.045 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 79046482 XOSZYNYEVVVRLP-GOEBONIOSA-N 313.357 1.474 0 40 DDAB CC(C)n1cnc(S(=O)(=O)Nc2c(F)cccc2CO)c1 95977427 ALRYHTYREJLIQX-UHFFFAOYSA-N 313.354 1.896 0 40 DDAB CN(CC(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1ncnc2[nH]cnc12 95955321 RUBNOWCANKMFPZ-CHWSQXEVSA-N 322.372 1.461 0 40 DDAB Cc1cnc([S@@](=O)CC(=O)NCc2sccc2C)nc1 95940705 DDYAXJGYSSYBBN-HXUWFJFHSA-N 309.416 1.579 0 40 DDAB COC(=O)CN1CCCN(Cc2cnc3ccc(C)cn23)CC1 95982757 IGELEKXUAVMRGJ-UHFFFAOYSA-N 316.405 1.323 0 40 DDAB CN(C)C(=O)NCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 95992107 QBSBJECMNFGOHD-MNOVXSKESA-N 311.332 1.456 0 40 DDAB COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)n[nH]c1C 79485754 RWLKRBDLTYSRFO-JTQLQIEISA-N 304.302 1.847 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCCCn1ncccc1=O 23137377 WWRUDJVQYNLGGI-UHFFFAOYSA-N 321.764 1.482 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)n1cccn1 75563752 ZNVVPEBLLFOYHM-WDEREUQCSA-N 319.390 1.530 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCc1ccco1 36358781 CKMLUGSFSJCHTD-UHFFFAOYSA-N 303.366 1.923 0 40 DDAB CC(=O)N1CCCN(Cc2ccnc(-c3ccncc3)n2)CC1 72343327 LOJPQKLYCBJPRT-UHFFFAOYSA-N 311.389 1.593 0 40 DDAB CCOC(=O)[C@@](C)(NC(=O)CCOCC(F)F)C(F)(F)F 1538328385 ZTGLNDZLQJUOOZ-SNVBAGLBSA-N 321.242 1.659 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)N2CCOC[C@H]2C2CC2)c1 120977337 MHIWREMTLOVGEX-HNNXBMFYSA-N 302.374 1.879 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 39918081 SLURICPJDQTYFX-AWEZNQCLSA-N 303.406 1.498 0 40 DDAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccco2)cc1OC 72227064 FRSNDYLJWQTRKO-LSDHHAIUSA-N 302.330 1.708 0 40 DDAB C[C@H](CCOc1ccccc1)C(=O)NC[C@H]1CN(C)CCN1C 73092941 WPUMFXNSHHZLKN-CVEARBPZSA-N 319.449 1.454 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCCCC2)c1Br 218816202 JRFCLPAOWLSLPC-UHFFFAOYSA-N 308.201 1.357 0 40 DDAB CS(=O)(=O)[C@@H]1[C@H](CN)[C@@H]1c1ccc(Br)cc1 218194330 FRHZTYZFDHVSDF-OUAUKWLOSA-N 304.209 1.534 0 40 DDAB CO[C@@](C)(C(=O)N[C@@H](C)c1nccc(N)n1)c1ccccc1F 564830188 IUUKMRIGGQHYNN-MGPLVRAMSA-N 318.352 1.937 0 40 DDAB CCOC(=O)CCC(=O)Nc1nnc(COc2ccccc2)o1 61973969 OVXHITPGYOMMNA-UHFFFAOYSA-N 319.317 1.930 0 40 DDAB CN1C[C@H](NC(=O)c2csc(-c3ccccc3)n2)CC1=O 75158351 FMIHSPUKVLAXES-LLVKDONJSA-N 301.371 1.771 0 40 DDAB O=C(OCCn1cccn1)[C@H]1CC(c2cc(F)ccc2F)=NO1 70010291 RHPQJSCZDUESLD-CQSZACIVSA-N 321.283 1.898 0 40 DDAB Cc1ccc(CCC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1F 238835308 GOVGDBBMSJIJEQ-UHFFFAOYSA-N 318.348 1.427 0 40 DDAB C[C@H]1CCCN(c2ncc3c(n2)CN(c2cnn(C)c2)C3=O)C1 46088827 ZOUYCRZVKAOQIH-NSHDSACASA-N 312.377 1.607 0 40 DDAB CCOC(=O)c1ccc(CN2C[C@H](C(=O)OCC)CC2=O)cc1 45953390 OCPHUGMNPHXSLL-CQSZACIVSA-N 319.357 1.775 0 40 DDAB Cc1ncc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1 193000458 HHMDEOWRBSQWBS-UHFFFAOYSA-N 303.322 1.362 0 40 DDAB CCn1cc([C@@H]2CN(C(=O)c3scnc3C)CCO2)cn1 191744916 OQIFOUVMBIDROA-LBPRGKRZSA-N 306.391 1.882 0 40 DDAB CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Cc2cnn(C)c2)C1 194299195 KDTFSRJDPXBYRS-MRXNPFEDSA-N 307.394 1.400 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCOCC2)on1 224076841 KEVAOLOOKLXHJC-UHFFFAOYSA-N 317.301 1.492 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)Oc3ccccc3N)ccc21 226863105 GREMCYRNATZSQC-UHFFFAOYSA-N 320.326 1.481 0 40 DDAB CC(C)(C)c1cc(C(=O)NC2(c3ncon3)CCOCC2)[nH]n1 97373328 KCAYRDZQCJZQIX-UHFFFAOYSA-N 319.365 1.526 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccn1 96060557 NRQFPECRYAYKHK-INIZCTEOSA-N 313.405 1.829 0 40 DDAB CCOC[C@@H]1CCC2(CCN(C(=O)c3cnn(C)c3)CC2)N1C 96207433 QMPCOIRBNJNCCW-HNNXBMFYSA-N 320.437 1.526 0 40 DDAB CCN(CC)S(=O)(=O)CCN[C@@H]1CC(C)(C)OC1(C)C 96477274 NMNZRPVTMFDKBB-GFCCVEGCSA-N 306.472 1.594 0 40 DDAB COCCN1CC[C@]2(CCCN(c3ccc(C)nn3)C2)C1=O 96223996 FOEDLKXIUQTRDZ-INIZCTEOSA-N 304.394 1.250 0 40 DDAB CC(=O)N1CCO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2C1 96108058 TVJOPHNKDPBSEQ-RHSMWYFYSA-N 318.373 1.094 0 40 DDAB O=C(c1ccsc1)N1CCn2c(Cn3cncn3)cnc2C1 96061920 IECPDHDTVKQLKB-UHFFFAOYSA-N 314.374 1.240 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2CN(C3CCOCC3)C[C@@H]2C1 96182281 QYCMXYPRVCRWFI-GASCZTMLSA-N 301.390 1.264 0 40 DDAB Cc1cnc([C@H](NC(=O)NCC[S@](C)=O)C2CC2)s1 96440355 ALRXWRGKWHOJQR-GIGQVBGESA-N 301.437 1.580 0 40 DDAB Cc1cnc(SCCCn2cnc3c(N)ncnc32)nc1 96403237 DSWNKPPZKUNPBV-UHFFFAOYSA-N 301.379 1.689 0 40 DDAB Cn1nc(C(=O)Nc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 95475336 SWRZISWAQLDARU-LLVKDONJSA-N 312.333 1.795 0 40 DDAB COC[C@@H]1CCC[C@]12CN(C(=O)c1ccncc1F)CCO2 96160861 ODPPVRMTQUFOQX-LRDDRELGSA-N 308.353 1.878 0 40 DDAB c1ccc(N2CCO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96226458 ZISNDCUQJPVWOU-QGZVFWFLSA-N 311.389 1.747 0 40 DDAB Cc1cc(C(=O)N[C@@H]2C[C@H]3C(=O)Nc4ccccc4N3C2)no1 230150575 NEHRVNPXJIUVJJ-YGRLFVJLSA-N 312.329 1.312 0 40 DDAB CC(C)N1CC[C@H](NC(=O)NC2Cc3ccccc3C2)C1=O 97377412 COTFSGUWVHGAMO-HNNXBMFYSA-N 301.390 1.462 0 40 DDAB O=C(C1CC=CC1)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 247872981 MOBIENOHEDAOPA-ARFHVFGLSA-N 313.401 1.933 0 40 DDAB Cc1ncoc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257262865 LNHOJMXRQGHATC-GFCCVEGCSA-N 302.334 1.945 0 40 DDAB c1cc([C@@H]2COCCN2Cc2ccc3c(c2)OCCO3)[nH]n1 257224907 FDWWFFRMRZUMMA-AWEZNQCLSA-N 301.346 1.754 0 40 DDAB NC1(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)CCCC1 257303227 SGGUWSUIZUOXPV-LBPRGKRZSA-N 304.394 1.258 0 40 DDAB CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 253407123 VPKAGBKMQQRNJE-INIZCTEOSA-N 315.417 1.454 0 40 DDAB biogenic,in-vitro O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@@H]12 253588212 PGHKUIMAONOIHP-SLVJWFQDSA-N 323.142 1.818 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 257217707 DAGRYKUUZHNVOF-LBPRGKRZSA-N 300.428 1.484 0 40 DDAB CC(C)CCN1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1COCCN12 604381112 DIMGMMWZIHYFEJ-MRXNPFEDSA-N 323.481 1.286 0 40 DDAB biogenic,in-vitro CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NC1Cc2ccccc2C1 390834200 UMMMUWVBFIPGDW-GJZGRUSLSA-N 301.390 1.368 0 40 DDAB CC(C)CS(=O)(=O)C1CN(C(=O)/C=C/c2ccccc2)C1 96121957 FEXPJYJPFGGGRW-CMDGGOBGSA-N 307.415 1.981 0 40 DDAB CSCC(=O)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575403323 HXMYMYIYFSBYNJ-CQSZACIVSA-N 322.430 1.721 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)C1CC(F)C1)CC2 585096329 IOMXCOHSFWXWNA-VOMCLLRMSA-N 322.384 1.673 0 40 DDAB Cc1cnc(-c2cnc([C@@H]3CCCN3S(C)(=O)=O)cn2)[nH]1 585178886 ZOMLBAWYONCSHM-LBPRGKRZSA-N 307.379 1.272 0 40 DDAB Cn1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)cn1 97107323 VYGFCRLMBPHNFD-CYBMUJFWSA-N 318.764 1.387 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1CC 89282510 HIBGKXPSDLGYAY-KBPBESRZSA-N 319.405 1.678 0 40 DDAB COc1cc(N2CCN(c3ccccc3OC)CC2)ncn1 269104650 BCJDSSADYZPVII-UHFFFAOYSA-N 300.362 1.820 0 40 DDAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)nn1 11738701 LYHLNYMAQNGIJM-UHFFFAOYSA-N 307.335 1.462 0 40 DDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N(C)C)c(=O)n12 12181942 DYMPAYLBTLCIBE-UHFFFAOYSA-N 314.345 1.054 0 40 DDAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1cnc(C)cn1 12188693 AANPUKOUCKMOMU-UHFFFAOYSA-N 312.329 1.431 0 40 DDAB CCS(=O)(=O)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 9038125 LYYZCNFAZAQYDT-LBPRGKRZSA-N 314.382 1.114 0 40 DDAB CC[C@@H]1CN(CCNC(=O)c2cncnc2C2CC2)CCO1 560453345 ALEFYZKXSQJYIX-CYBMUJFWSA-N 304.394 1.195 0 40 DDAB Cc1c(F)cc(N)c2c1CC[C@@H](NC(=O)C(F)(F)F)C2=O 22007016 DAOJPVPVIVBIAM-SECBINFHSA-N 304.243 1.892 0 40 DDAB Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2Cl)n(C)c1=O 794776 RAVHFAFBIMVTEW-UHFFFAOYSA-N 322.727 1.275 0 40 DDAB CC(C)[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 9503440 SQTUIAWDGRJOFS-LBPRGKRZSA-N 311.288 1.480 0 40 DDAB O=C(C1CC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1142675918 GLSROUFJLYPPLW-UHFFFAOYSA-N 314.385 1.821 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)OCc2c(C)noc2C)C1=O 23882669 OWPVVEINWCVYSC-AWEZNQCLSA-N 309.322 1.055 0 40 DDAB CCNC(=O)CNC(=O)c1cc(Br)cn1C(C)C 36860642 KVHWSQLFZFSDIN-UHFFFAOYSA-N 316.199 1.697 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)CC3(OC)CCC3)CC[C@H]2C1 1565553118 LBUWPGSZFRPZOM-GJZGRUSLSA-N 310.438 1.515 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2ncnc(-c3ccoc3)c2CC1 1565552983 FZIXWEXPLKZELJ-ZDUSSCGKSA-N 313.357 1.700 0 40 DDAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(=O)N(C)C3)c1C 1565545205 ZNDQIKAMQWMMAD-UHFFFAOYSA-N 302.378 1.178 0 40 DDAB COc1ccc(CCS(=O)(=O)NCC[C@H](O)C2CC2)cc1 77108044 FJMCWXHKIFOYFB-HNNXBMFYSA-N 313.419 1.318 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c(C)c1 15465411 RZECEAYIQWSMTA-GJZGRUSLSA-N 316.401 1.952 0 40 DDAB C[C@@H]1CCO[C@]2(O1)C(=O)N(CN1CCOCC1)c1ccccc12 27903062 ISQFMGIREOXAJJ-CXAGYDPISA-N 318.373 1.301 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 50246617 KAYSFTNNLMWKPP-QMMMGPOBSA-N 309.218 1.963 0 40 DDAB Cc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)oc2ccccc12 40497147 OVMFRAAJNRGNNU-LLVKDONJSA-N 307.371 1.906 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)N3CCCCC3)CC2)n1 40489664 IOPNWWIKAXJCTD-UHFFFAOYSA-N 321.425 1.917 0 40 DDAB C[C@@]1(NS(=O)(=O)c2ccccc2Cl)CCS(=O)(=O)C1 7304292 JXPRVHTYXCGEQH-LLVKDONJSA-N 323.823 1.196 0 40 DDAB CCC1=C(C(=O)OC)[C@H](c2cc(C)nn2C)n2ncnc2N1 36621382 UXTQGAQHARMHFK-LBPRGKRZSA-N 302.338 1.172 0 40 DDAB O=C(NCC(F)F)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619402 FCYYEIGSLYGPEN-UHFFFAOYSA-N 321.262 1.925 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCCN1c1ncnc2c1cnn2C 69560820 ZHWSPBOIJBYRLJ-LBPRGKRZSA-N 302.382 1.201 0 40 DDAB CN(C)c1cccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1 69515192 QRNHGYXDBGZZTJ-CQSZACIVSA-N 304.390 1.978 0 40 DDAB COCCOCC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 67822196 XMTHOWPOABANKY-UHFFFAOYSA-N 303.318 1.038 0 40 DDAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 40511013 AMMSRDIILVDGNR-SSDOTTSWSA-N 324.312 1.808 0 40 DDAB C[C@@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCO1 29790373 PRDYAUQQYGZGHR-SNVBAGLBSA-N 311.765 1.901 0 40 DDAB Cc1ccc(N2N=C(C(=O)Nc3cccnc3)NCC2=O)cc1 32647228 IDSLMINCJSJZHY-UHFFFAOYSA-N 309.329 1.278 0 40 DDAB O=C([C@H]1CN(Cc2ccsc2)[C@@H]2CCO[C@H]12)N1CCOCC1 108529771 HYKWHSDIPUQZKX-RRFJBIMHSA-N 322.430 1.196 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1 21668600 HFTXRHCRNAJZNH-MFKMUULPSA-N 314.382 1.427 0 40 DDAB CCCn1c(=O)c2sccc2n(CC(=O)NC(C)C)c1=O 57485849 VMNBQZWOMGAGLK-UHFFFAOYSA-N 309.391 1.159 0 40 DDAB C[C@H]1CCCC[C@H]1OCCn1cnc2c1c(=O)n(C)c(=O)n2C 42128788 AKBAQMQLJRLPLJ-NWDGAFQWSA-N 320.393 1.029 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1nncs1 22705078 WTOIBUAJMMNNTI-UHFFFAOYSA-N 304.253 1.357 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cc(C)on1)CC2 89986353 YEMISXYFJKITPP-KGLIPLIRSA-N 308.378 1.304 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H](c2nncn2C)C1 89904244 OOSOHOFRXUAIAC-STQMWFEESA-N 317.393 1.928 0 40 DDAB COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cn1 54484503 KWFAPDKXCSZVHW-CQSZACIVSA-N 312.325 1.488 0 40 DDAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cncc(F)c1)C2 108532968 GCTNOJLYSMPQHB-CZUORRHYSA-N 305.353 1.599 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Oc2ccccc2OC)cc1 42619901 GWUUZQYEDGZBHK-UHFFFAOYSA-N 321.354 1.823 0 40 DDAB CC(C)(CNC(=O)[C@@H]1COc2ccccc2O1)N1CCOCC1 23624821 OFBQPVSPDSNDCL-HNNXBMFYSA-N 320.389 1.053 0 40 DDAB CN(C)CCCNCC(=O)N1CCN(c2ccccc2F)CC1 26439544 QRGVPPOXBQVMTI-UHFFFAOYSA-N 322.428 1.016 0 40 DDAB C[C@H](CNC(=O)CCOc1ccccc1Cl)[S@@](C)=O 89900689 DUCCTCZZUJLTRK-DGIBIBHMSA-N 303.811 1.992 0 40 DDAB O=C1CNC(=O)N1C[C@@H](O)COc1c(Cl)cccc1Cl 24085038 BIWRIWRHKSRVAZ-SSDOTTSWSA-N 319.144 1.285 0 40 DDAB Nc1nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n[nH]1 12549840 OIQZJFIZQIGAQB-UHFFFAOYSA-N 318.406 1.718 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2c(F)cccc2Cl)C1=O 107966858 KTCCKGIHLBITDR-BJMVGYQFSA-N 312.684 1.545 0 40 DDAB O=C(NC[C@H](O)C1CCCC1)c1ccccc1Cn1cncn1 76083288 BRDFHMXQJHNDJC-INIZCTEOSA-N 314.389 1.607 0 40 DDAB CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc[nH]3)cc2C1=O 24650686 ZDFQUGVNGDFCFN-UHFFFAOYSA-N 312.281 1.280 0 40 DDAB O=C1C[C@@H](C(=O)N2CCN(CC3CC3)CC2)c2ccccc2N1 55672554 GDTFEEQWPOKKCO-OAHLLOKOSA-N 313.401 1.667 0 40 DDAB Cn1cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cn1 25228867 BHPDCXSWOYHNPS-UHFFFAOYSA-N 316.336 1.157 0 40 DDAB COCc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)o1 76054799 KKBPCJRGSJGJMS-WBMJQRKESA-N 322.405 1.527 0 40 DDAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)OCCO2 25466591 NSBOQMKMXPFWFZ-UHFFFAOYSA-N 324.340 1.473 0 40 DDAB CN1CC[C@@H](C(=O)NCCOc2ccc3c(c2)CCC3)CC1=O 56009519 WNASCVMOHUILQH-OAHLLOKOSA-N 316.401 1.539 0 40 DDAB Cc1cccc(N2CCN(C(=O)NC[C@@H]3COCCO3)CC2)c1 57081891 WZZDZHPPEKLIDE-MRXNPFEDSA-N 319.405 1.242 0 40 DDAB CN1CCC[C@@H](CNC(=O)N2CCN(c3nccs3)CC2)C1 108590705 OSZSQBVHUNRTBG-ZDUSSCGKSA-N 323.466 1.317 0 40 DDAB C[C@@H]1COCCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 44912369 BTNVYEXRHHITPL-SNVBAGLBSA-N 324.764 1.313 0 40 DDAB Cc1cccc(C2(CN[C@@H](C)C(=O)NC(N)=O)CCCC2)c1 58342340 YUUFWHOUKINJTN-ZDUSSCGKSA-N 303.406 1.980 0 40 DDAB C[C@@H](NC(=O)NCC(=O)NCCc1ccccc1)[C@H]1CCCO1 69633008 VQQRKVUNRKZQTR-UKRRQHHQSA-N 319.405 1.212 0 40 DDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1nc(N)nc(N)n1 17747877 BPFLJSKQHSUGIM-SSDOTTSWSA-N 323.740 1.200 0 40 DDAB CC(C)(C)c1ccc(OCCN2CCN(CCO)CC2)cc1 69774155 MPEFZTQCEXCYBS-UHFFFAOYSA-N 306.450 1.973 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1C 3557503 DQYHCIOBLBJILH-UHFFFAOYSA-N 322.430 1.546 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NCc1cnc(N2CCCC2)nc1 48711658 YLYUCIWVSLYWOA-HNNXBMFYSA-N 312.421 1.978 0 40 DDAB CN(CC(N)=O)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 48871977 ZVJOWGQBIULEBC-UHFFFAOYSA-N 318.204 1.369 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 69815287 MBUKYLOXMLOTJF-HNNXBMFYSA-N 305.426 1.229 0 40 DDAB CCN(CC)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 4192999 OBJATUCZWPRHHE-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB CCCCS[C@H](C)C(=O)N1CCC(CS(N)(=O)=O)CC1 69892619 NREVKGCKJHXMEI-LLVKDONJSA-N 322.496 1.435 0 40 DDAB CN1[C@H](Cc2ccccc2O)[C@@H](O)c2ccccc2S1(=O)=O 13681710 JTNFSXJUIOVEDA-CJNGLKHVSA-N 319.382 1.671 0 40 DDAB CCN1CCN(c2cc(CNC(=O)c3ccc[nH]3)ccn2)CC1 64510919 OSTFKBBLNRIIMM-UHFFFAOYSA-N 313.405 1.482 0 40 DDAB CC(=O)Nc1nc(CN2CCC[C@@H]2Cn2cccn2)cs1 69811392 ZRXJAJRDIBWWBS-CYBMUJFWSA-N 305.407 1.963 0 40 DDAB O=C(NCc1ccncc1)C(=O)Nc1cccc2nsnc12 13735651 BIOTWQOSTMGXQD-UHFFFAOYSA-N 313.342 1.341 0 40 DDAB CCOc1ccc([C@]2(O)C[C@@](O)(C(F)(F)F)NC(=O)N2)cc1 16732315 ADIRPQOUUJCVFF-VXGBXAGGSA-N 320.267 1.184 0 40 DDAB CC(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 4339313 LPGAYCDJECLIBZ-MRVPVSSYSA-N 313.741 1.131 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCCS(=O)(=O)C2)o1 69143014 FXVRYNFVAZLUCA-GFCCVEGCSA-N 309.391 1.645 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)N(Cc1ccccn1)C1CC1 65434521 ZKWCTJIYZRVNRO-AWEZNQCLSA-N 302.378 1.424 0 40 DDAB CCCNC(=O)CSc1nc2ncccc2c(=O)n1CC 14083225 LJPKSYNUHZYPPD-UHFFFAOYSA-N 306.391 1.430 0 40 DDAB NC(=O)CN(C(=O)c1ccc(C(F)(F)F)nc1)C1CCCC1 65520895 ZNCDORROENFTGK-UHFFFAOYSA-N 315.295 1.971 0 40 DDAB COCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C(=O)OC 65575969 LSZHZLDESFCMST-SECBINFHSA-N 315.753 1.657 0 40 DDAB Cn1c(NCCO)nc2sc3c(c2c1=O)CC(C)(C)OC3 4551004 UWDNUVRHCMXSNN-UHFFFAOYSA-N 309.391 1.251 0 40 DDAB COc1ccnc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1 65614903 JHPXXAJTCJMZMJ-CYBMUJFWSA-N 320.393 1.093 0 40 DDAB Nc1cc(N)nc(SCC(=O)NCc2cccc(Cl)c2)n1 6533199 QKXOZVXAAWSGNL-UHFFFAOYSA-N 323.809 1.703 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4814556 NHWVBDPHZSVMIF-FZMZJTMJSA-N 306.337 1.474 0 40 DDAB Cc1oc(-c2ccccc2)nc1CN1CCN(CCO)CC1 66608689 BRRDYCKUMACJNQ-UHFFFAOYSA-N 301.390 1.760 0 40 DDAB Cc1nn(C)c(N)c1[C@]1(O)C(=O)N(CC(C)C)c2ccccc21 6848186 JECDYMOKNKEKSB-KRWDZBQOSA-N 314.389 1.549 0 40 DDAB COc1ccccc1-c1noc(COC(=O)C2=COCCO2)n1 7156784 FNQHDAXGDFHLTE-UHFFFAOYSA-N 318.285 1.677 0 40 DDAB Cc1cc(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)on1 70843482 GDNDPCZDJBUCMK-QGZVFWFLSA-N 311.341 1.963 0 40 DDAB O=C(OC[C@@H]1CC=CCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 78349818 YBPRINSNWWHEDW-GFCCVEGCSA-N 322.386 1.384 0 40 DDAB Cc1cc(C)c(CNC(=O)CCc2c(C)nn(C)c2C)c(=O)[nH]1 9313757 BSJSJIPTABNEOQ-UHFFFAOYSA-N 316.405 1.591 0 40 DDAB CCCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 71771923 KYKUUVIASFUPRR-UHFFFAOYSA-N 306.391 1.738 0 40 DDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H](C)c1nc(C)no1 78897014 ZZZDHIUNUWCTJM-WCQGTBRESA-N 316.427 1.089 0 40 DDAB CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2c[nH]nn2)ccn1 71896611 KOIFQWPNXNLXDU-LLVKDONJSA-N 303.366 1.943 0 40 DDAB COc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1OC 71829808 NNXCQANOZNJACT-DGCLKSJQSA-N 320.389 1.359 0 40 DDAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCNC(=O)C1 71819677 RBPYHJVQZAAJMY-AWEZNQCLSA-N 312.316 1.327 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)Nc3nncs3)C2)n[nH]1 84111101 FLZRNMFJLXDMEE-SNVBAGLBSA-N 306.395 1.388 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 72282401 LQMTZHSNKRRHRA-IUODEOHRSA-N 322.430 1.574 0 40 DDAB COC[C@H](C)NC(=O)CN1CCC[C@H](c2noc(C3CC3)n2)C1 72299913 ULABXVWBEZZHDV-AAEUAGOBSA-N 322.409 1.278 0 40 DDAB COc1cccc(NC(=O)NC2CCN(CCN(C)C)CC2)c1 72280299 ZGYHJJFRNCRPSW-UHFFFAOYSA-N 320.437 1.843 0 40 DDAB Nc1ncc(Br)nc1C(=O)NCCc1ccccc1 97009307 BOEXXNHGTQEBLS-UHFFFAOYSA-N 321.178 1.794 0 40 DDAB CCN(C(=O)C[S@@](=O)Cc1cn2c(C)cccc2n1)C1CC1 97083714 XJGJUQHPFVHVFG-JOCHJYFZSA-N 319.430 1.902 0 40 DDAB CCn1cc(NS(=O)(=O)Cc2ccccc2F)ccc1=O 97140267 RCBOIEZFTFOWJQ-UHFFFAOYSA-N 310.350 1.949 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1ccc(Br)cn1 72343680 GHLJPWVOLCJVAJ-JTQLQIEISA-N 305.197 1.941 0 40 DDAB C[C@H]1CN(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)C[C@H](C)O1 97212567 RRNFRWLRYJDDMV-QWRGUYRKSA-N 316.427 1.404 0 40 DDAB COc1ccc(-c2ccc(=O)n(CN3CCOCC3)n2)cc1 72402205 BWMNYIKKVJIRHO-UHFFFAOYSA-N 301.346 1.209 0 40 DDAB COC(C)(C)CNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 95447307 AZKHAHOKPUSVMX-SNVBAGLBSA-N 311.348 1.689 0 40 DDAB Cc1cc(CC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)n[nH]1 95416023 IQOGYCGTZVHGFL-GFCCVEGCSA-N 310.361 1.719 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1Cl 88373498 IMFSPJDYWIBFPC-JTQLQIEISA-N 304.129 1.919 0 40 DDAB Cc1ccc(NC(=O)NC(C)(CO)CO)cc1Br 95979240 LSEFNUNXHLYVPG-UHFFFAOYSA-N 317.183 1.622 0 40 DDAB CCc1oc(C(=O)OC)cc1CN(C)C1CCS(=O)CC1 89280271 LNUVCYRDOUNAKD-UHFFFAOYSA-N 313.419 1.972 0 40 DDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2 89518796 QGNVWBVTRFSSNB-VXGBXAGGSA-N 307.394 1.822 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C 89651159 LWPDGAGGOKFPQE-JSGCOSHPSA-N 312.410 1.991 0 40 DDAB CC(=O)N1Cc2ccnn2[C@H](CC(=O)NC2CC(F)(F)C2)C1 306142540 XCMXTZZKKMQQFX-GFCCVEGCSA-N 312.320 1.090 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2cc(-c3ccc(F)cc3)on2)N1 38753187 DWAVPTMZWMZRNY-LBPRGKRZSA-N 303.293 1.376 0 40 DDAB CCN1CCN(C(=O)c2cccnc2N2CCCC2)[C@H](C)C1=O 548300381 NPYAYXYUHZFCQL-CYBMUJFWSA-N 316.405 1.375 0 40 DDAB O=C(CCc1ncccn1)N1CCCC[C@H]1CN1CCOCC1 514641605 YMSPWFJXKQMPCA-HNNXBMFYSA-N 318.421 1.123 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCCOC2)nc1 516967971 XHVOKTSCVKVXCT-OCCSQVGLSA-N 310.419 1.881 0 40 DDAB COCCNC(=O)C[C@H]1CC2(CCNCC2)Oc2ccccc21 306125428 CQOKBMKTZVKXKJ-AWEZNQCLSA-N 318.417 1.828 0 40 DDAB Cc1nc(N)cc([C@H]2CN(C(=O)c3cncs3)CCO2)n1 72387828 FZHKLJMAPYEENG-SNVBAGLBSA-N 305.363 1.037 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(CC(C)C)n[nH]1 79096087 VFAREPXAYGNWMY-SNVBAGLBSA-N 301.412 1.161 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCc1cccc2ccccc12 74377005 PJMMGAFSVYKLPO-UHFFFAOYSA-N 310.353 1.995 0 40 DDAB CC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980582 ZPANQKMJMYGJEZ-HNNXBMFYSA-N 318.373 1.311 0 40 DDAB COc1ccc2nnc(CCCC(=O)NC3CCCCC3)n2n1 72403279 CHKLXIIANMIBMD-UHFFFAOYSA-N 317.393 1.905 0 40 DDAB CS(=O)(=O)c1cncnc1[C@@H]1CCCN(c2cnccn2)C1 72356511 FPHXLBXOMUQNPN-LLVKDONJSA-N 319.390 1.054 0 40 DDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O 218247825 SIPZRJFTSGPMSX-VNHYZAJKSA-N 311.403 1.014 0 40 DDAB CN(C[C@H](O)c1ccc(F)c(F)c1)C1CCS(=O)(=O)CC1 79469843 NQYHRLKNTUDYGJ-AWEZNQCLSA-N 319.373 1.507 0 40 DDAB CN(CCO)C(=O)c1ccc(I)cc1 37853821 LASYGCSIVVIJKA-UHFFFAOYSA-N 305.115 1.356 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1N1CCCC1 217573335 BOBHJFUOGYLHHE-UHFFFAOYSA-N 310.375 1.426 0 40 DDAB N[C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc2c(c1)OCO2 72227632 LFBDARJRDSQXOR-HUUCEWRRSA-N 300.289 1.970 0 40 DDAB C[S@@](=O)c1nncn1Cc1coc(-c2ccc(F)c(F)c2)n1 78995938 UUMPNAUKHJGSDY-QFIPXVFZSA-N 324.312 1.997 0 40 DDAB CCN1C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc21 227162120 KKMXJMGUZKXQND-UHFFFAOYSA-N 312.391 1.462 0 40 DDAB COc1ccc(Cn2cc(NC(=O)N[C@@H](C)CCO)cn2)cc1 225485168 HBGSZHDNTSGUIM-LBPRGKRZSA-N 318.377 1.832 0 40 DDAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)[C@@H](CO)C(C)(C)C)c1 97096031 SENTWWRBTHRYJS-HNNXBMFYSA-N 320.433 1.899 0 40 DDAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1c[nH]c(=O)c(Cl)c1 96123188 GVGCHBQLOUSOQZ-SNVBAGLBSA-N 308.725 1.439 0 40 DDAB O=C(NCc1cccnc1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 96200024 ZNUXJFYYFRPKRY-DLBZAZTESA-N 311.385 1.969 0 40 DDAB C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)Cc1ccon1 96427733 RBVPZFZFCHTSBO-WCQYABFASA-N 302.396 1.689 0 40 DDAB C[C@H](CNC(=O)NCC[S@](C)=O)Oc1ccccc1F 96440352 XJZLAZCYYIVFIM-CFMSYZGJSA-N 302.371 1.271 0 40 DDAB COC(=O)[C@H](NCC(=O)N1CCc2ccccc21)C(C)(C)C 96461335 KETAEPZGWMCRGT-HNNXBMFYSA-N 304.390 1.753 0 40 DDAB CC[C@@H]1CN(C(=O)c2ncc(C)cc2O)C[C@]2(CCOC2)O1 330024613 AKFYQSOAENNULZ-WBMJQRKESA-N 306.362 1.506 0 40 DDAB c1ccc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)nc1 96056253 QAPOAVHMAXIEDG-RYQLBKOJSA-N 317.433 1.251 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2 96078252 OWWYAPIQPZQXGO-UHFFFAOYSA-N 319.409 1.077 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccccn1 96062108 AXPIMHSQTZMPAE-GFCCVEGCSA-N 323.360 1.135 0 40 DDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@@H]2CCCC[C@H]2O)C1 245289722 DRBTWDWTAPXRON-RRFJBIMHSA-N 318.483 1.330 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257329020 XIBGICIXFHWNEK-GFCCVEGCSA-N 323.422 1.030 0 40 DDAB Cc1ccc(N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)nc1 257204285 ATVHDAOVALTQJX-LLVKDONJSA-N 306.391 1.511 0 40 DDAB COc1ccc(OCCCC(=O)N2CC[C@@H](C(N)=O)C2)cc1 41128177 VXVVGVMRIRKQJD-GFCCVEGCSA-N 306.362 1.188 0 40 DDAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2N)C1 257314724 UYFFEZOLCLOWGX-NSHDSACASA-N 317.349 1.131 0 40 DDAB O=C(Nc1nccs1)c1cncnc1CC1CCNCC1 257287565 PQMHNDMIJWPHFE-UHFFFAOYSA-N 303.391 1.728 0 40 DDAB CC(=O)N1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257325342 WSOHAARFBABEDY-LBPRGKRZSA-N 315.377 1.157 0 40 DDAB Cn1ccnc1[C@]1(O)CCCN(C(=O)c2cncs2)CC1 257338206 YWLBUWZNDCXTAO-AWEZNQCLSA-N 306.391 1.391 0 40 DDAB O=C(CCc1ccccc1F)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257232716 GMBREZKGMAORAZ-RDJZCZTQSA-N 307.365 1.901 0 40 DDAB COC1(c2noc(COc3c(C)nn(C)c3C)n2)CCOCC1 278345891 ZPDKUSUKPFRUIE-UHFFFAOYSA-N 322.365 1.651 0 40 DDAB O=C(NC1CCN(Cc2cnns2)CC1)c1ccsc1 289994744 KRJVEJJONKXNQR-UHFFFAOYSA-N 308.432 1.994 0 40 DDAB CCn1nncc1CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 560779520 XBAIYDHKCQZULK-INIZCTEOSA-N 311.345 1.192 0 40 DDAB O=C(Cc1ccncc1)N1CC[C@@](O)(COc2ccccc2)C1 585279129 VBQLOZDKGALNLJ-SFHVURJKSA-N 312.369 1.667 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2scnc2C)Cc2ccnn21 585113104 ZUWLYNXDBYQWPB-LBPRGKRZSA-N 305.407 1.341 0 40 DDAB Cn1ncc2c(Nc3cccc(Cn4cncn4)c3)ncnc21 54061121 FLTPOSUIEHYMGK-UHFFFAOYSA-N 306.333 1.747 0 40 DDAB CC[C@@](C)(NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC 58311905 RQMJHDJRXFHEDG-CQSZACIVSA-N 313.375 1.509 0 40 DDAB COc1cccc2c1CCN(C(=O)NCCc1nccn1C)C2 96007859 OBWPUGMBLJZPIE-UHFFFAOYSA-N 314.389 1.739 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 1576103 RWAYODJQGJVQGX-BXUZGUMPSA-N 322.361 1.528 0 40 DDAB O=C(Cc1cccnc1)N1CCC(Oc2nncs2)CC1 827913480 MTJZAMSXUZJNSJ-UHFFFAOYSA-N 304.375 1.546 0 40 DDAB O=C(O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 5634943 LBOJYERPAPYDHQ-UHFFFAOYSA-N 313.375 1.761 0 40 DDAB CC(=O)N(CN1C(=O)CC[C@H]1C(=O)O)c1ccccc1Cl 5602031 WQKWFRNHAVWMJF-LBPRGKRZSA-N 310.737 1.726 0 40 DDAB O=C(c1ccc(CN2CCCCC2)o1)N1CCn2cnnc2C1 12115729 SVQMSLMQBFHOBP-UHFFFAOYSA-N 315.377 1.513 0 40 DDAB C[C@@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)n1cncn1 12201374 PQYOLZVGTVVYPJ-LRDDRELGSA-N 313.361 1.539 0 40 DDAB O=C(Nn1cnnc1)c1cccc(NC(=O)c2ccccc2O)c1 14405946 PIMVJYSVRIGITH-UHFFFAOYSA-N 323.312 1.620 0 40 DDAB COc1cc(OC)c(NC(=O)CN(C)C)cc1Br 157398495 XQVBVGHRUHGLGN-UHFFFAOYSA-N 317.183 1.966 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]3C2)nn1 1888906802 CZBFTYNTAPYNAT-TXEJJXNPSA-N 322.376 1.024 0 40 DDAB CS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)O)cn1 1848356190 MPLCEAXOSBWFPJ-UHFFFAOYSA-N 306.343 1.496 0 40 DDAB O=S(=O)(c1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 35362694 AJKOKLXYQMYSMT-LBPRGKRZSA-N 316.448 1.233 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C(C)C)no1 1775964076 QLKWLQJAEJNBPS-MUYACECFSA-N 319.405 1.994 0 40 DDAB biogenic,in-vitro CC1(C(=O)NC[C@H]2CCC3(CN(C(=O)C4(C)CC4)C3)O2)CCC1 1068601213 FRUIFHXABFIJBR-CYBMUJFWSA-N 320.433 1.853 0 40 DDAB Cn1cnc(CN2CCC(O)(COc3ccccc3)CC2)c1 2037905635 TXAHECIRRMDKFR-UHFFFAOYSA-N 301.390 1.826 0 40 DDAB CCN(CC)C(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 4271979 ZTSMMFXKKBIISR-UHFFFAOYSA-N 301.346 1.178 0 40 DDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1cccs1 9571169 BHRMHJWQQCOMRH-UHFFFAOYSA-N 321.387 1.202 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)c1 20101094 FUZUVGNENUDTDF-SNVBAGLBSA-N 319.390 1.113 0 40 DDAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 40488012 VOTLTPFRHPWTMS-ZDUSSCGKSA-N 310.419 1.566 0 40 DDAB CCOCC(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 11397158 UWRRIVOKNJRBNZ-JTQLQIEISA-N 311.334 1.569 0 40 DDAB CC(=O)N1CCC(NC(=O)CCOc2ccc(F)cc2)CC1 40510400 VEMHQLLVQVSMQE-UHFFFAOYSA-N 308.353 1.722 0 40 DDAB Cn1ncc2c(=O)n(CCC(=O)NC3CCCCCC3)cnc21 11430163 XEFOFXDCNLQRFV-UHFFFAOYSA-N 317.393 1.359 0 40 DDAB O=C(Nc1nccs1)[C@H](Cc1ccccc1)n1cnnn1 31812412 UELLLAQEZNPOKG-NSHDSACASA-N 300.347 1.552 0 40 DDAB CCOC(=O)[C@@](O)(NC(=O)Nc1ccc(F)cc1)C(F)(F)F 1856244 BWTPRZPEPJFKFX-NSHDSACASA-N 324.230 1.761 0 40 DDAB O=C(CN1CCCC1)NCC1(c2ccccc2)CCOCC1 200485 GGDFCHWIOLZXPM-UHFFFAOYSA-N 302.418 1.947 0 40 DDAB CCCCCCN(N=O)c1nc2c(c(=O)n(C)c(=O)n2C)n1C 4429939 PXYOAAGLBIOWDH-UHFFFAOYSA-N 322.369 1.039 0 40 DDAB Cc1sc(C(=O)Nc2ccon2)cc1S(=O)(=O)N(C)C 6679499 ZJTICUBKLASOGK-UHFFFAOYSA-N 315.376 1.547 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 10213731 IWRHAVYSQHHFFS-UHFFFAOYSA-N 320.326 1.315 0 40 DDAB Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncccn2)n1 107800317 XZYIIDUYWKCOQK-CABCVRRESA-N 309.373 1.560 0 40 DDAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1C 32771588 BRNDYKNOGKFUCY-JTQLQIEISA-N 304.350 1.306 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1Cc1nnnn1-c1ccccc1 32741602 DRUJMXBGZOPXAY-UHFFFAOYSA-N 312.333 1.027 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)C[C@H](SCCO)C1=O 8560103 NOTKAZMDWMYWMF-NSHDSACASA-N 315.778 1.706 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)NC1=NCCS1 32737977 GEVZNKNOSHSMPX-UHFFFAOYSA-N 307.400 1.344 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263882 JUKPHKVSDMVKNB-OKZBNKHCSA-N 314.429 1.987 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccccc1 416942 IPRKZMMFLYJYPQ-UHFFFAOYSA-N 322.324 1.766 0 40 DDAB O=C(CCn1nc(-c2cccs2)oc1=O)NC[C@H]1CCOC1 41371729 ZCTYJZPIEWVGKO-SNVBAGLBSA-N 323.374 1.108 0 40 DDAB Cc1ccc2c(c1)CCCN2C(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102353693 BXAVNXVDXRXTPD-VGWMRTNUSA-N 313.353 1.928 0 40 DDAB CS(=O)(=O)Nc1ccc(NC(=O)c2ncccc2O)cc1 58244481 YQILPESFUVYCFN-UHFFFAOYSA-N 307.331 1.411 0 40 DDAB COC(=O)CCN(CC(=O)N[C@@H](C)C1CC1)Cc1ccccc1 69519171 WQVSDOVIRSYIQE-AWEZNQCLSA-N 318.417 1.966 0 40 DDAB CC(=O)NCCNC(=O)c1c[nH]c(=S)n1-c1ccccc1 22758570 KOBXKPNIHNCNAE-UHFFFAOYSA-N 304.375 1.401 0 40 DDAB CCC(CC)[C@@H](CNC(=O)c1ccc(O)nn1)N1CCOCC1 22898317 JLHJMERVYWOGCS-CQSZACIVSA-N 322.409 1.049 0 40 DDAB O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721023 STNNHNDTQAXTMM-SOUVJXGZSA-N 303.362 1.275 0 40 DDAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCN2CCOCC2)c1 20567974 INJLWSJITYIZJC-HNNXBMFYSA-N 306.406 1.519 0 40 DDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1C 33876170 UUNFNTQWCRRLBK-LBPRGKRZSA-N 315.366 1.850 0 40 DDAB CC(C)(C)n1nc(C(=O)NC[C@H]2COCCO2)cc1C1CC1 54619950 HXYKWTMSCMSBQU-LBPRGKRZSA-N 307.394 1.661 0 40 DDAB CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C=C(C(=O)O)N2 12390070 RBRCIERQTITSDR-SNVBAGLBSA-N 304.331 1.689 0 40 DDAB C[C@H](CNC(=O)Nc1nnc(C2CC2)s1)N1CCOCC1 43359601 KCYPGTCGARQDFE-SECBINFHSA-N 311.411 1.258 0 40 DDAB O=C(O)c1ccccc1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21 43425792 BGYCSMRIZYQNLV-NWDGAFQWSA-N 311.359 1.327 0 40 DDAB Cc1cnc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cn1 69382646 ILJIHGQEEFQWOG-MRXNPFEDSA-N 301.394 1.499 0 40 DDAB COCCN(CC(C)C)C(=O)c1nn(C)c(=O)c2ccccc12 26115418 MVDYXXKXUKOMPY-UHFFFAOYSA-N 317.389 1.678 0 40 DDAB NC(=O)[C@@H](NC(=O)CN1CCCCCCC1=O)c1ccccc1 47959165 XBBXHDXOTXAKOZ-INIZCTEOSA-N 317.389 1.122 0 40 DDAB COc1ccccc1OCCn1cc(-c2nnco2)ccc1=O 57991788 VDIQOVPAVHAGAO-UHFFFAOYSA-N 313.313 1.986 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2ccco2)CC1 44896479 DGBLQIRJJQXBCH-UHFFFAOYSA-N 322.796 1.933 0 40 DDAB CS(=O)(=O)c1nc(C(=O)NCC(F)(F)F)c2ccccn12 58278932 UCGWMZSEZIUUBH-UHFFFAOYSA-N 321.280 1.030 0 40 DDAB O=C(Cn1cnnn1)NCc1ccc(Oc2ccccc2)cc1 58266879 VJAPRYLSGVIKBU-UHFFFAOYSA-N 309.329 1.782 0 40 DDAB C[C@H]1CN(CCNC(=O)c2ccc(NC3CC3)nc2)C[C@@H](C)O1 58268231 PJRWVKKIQGGCFS-BETUJISGSA-N 318.421 1.495 0 40 DDAB O=C(NCCN1CCCC1)NC[C@H]1COc2ccccc2O1 58297118 OCBKLHDPPFUKME-ZDUSSCGKSA-N 305.378 1.221 0 40 DDAB Cc1cccc(C(C)(C)CNC(=O)CCN2C(=O)CCC2=O)c1 58265815 AAFKQGYRMYWUEJ-UHFFFAOYSA-N 316.401 1.928 0 40 DDAB Cc1cc(CN2CCN(Cc3nnc(C(C)(C)C)o3)CC2)no1 44914526 HDXXBWWAAGBSPD-UHFFFAOYSA-N 319.409 1.981 0 40 DDAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)no1 44916739 DRBCXOQIFCJRRC-LBPRGKRZSA-N 317.345 1.583 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccnc2)o1 44918246 VGKNBGCKBVBSCI-VIFPVBQESA-N 309.347 1.074 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2ncccn2)CC1 44914855 JWAPQAMIOCWMNJ-ZDUSSCGKSA-N 315.377 1.532 0 40 DDAB Cc1noc(C)c1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 12808568 AJNAARPJJXXHGG-UHFFFAOYSA-N 313.313 1.782 0 40 DDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)o1 12940677 RGXNWLRSGFAYKO-UHFFFAOYSA-N 306.347 1.334 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)N1 12940313 XKLWEKHIVMQJKI-UHFFFAOYSA-N 321.764 1.083 0 40 DDAB COC(=O)[C@](NC(C)=O)(Nc1cccc(C)n1)C(F)(F)F 13142110 FHVAHBPXDAKACK-NSHDSACASA-N 305.256 1.370 0 40 DDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C=C2CCCCC2)CC1 69452687 CSLFEVNUSRAQPD-INIZCTEOSA-N 319.449 1.818 0 40 DDAB C[C@@H]1CN(C)c2ccccc2N(C(=O)C2=NN(C)C(=O)CC2)C1 89941208 RRAHACGANDQPKW-GFCCVEGCSA-N 314.389 1.714 0 40 DDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H]2Cn2cncn2)o1 69659417 STMBLTFNTPYWCC-CQSZACIVSA-N 317.393 1.303 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)N1CCCCC1 5204796 ZZRXZZJEXOCRIA-UHFFFAOYSA-N 300.362 1.584 0 40 DDAB CC[S@@](=O)c1ccccc1C(=O)NCCCn1cccn1 65428522 VUISJAUZGOWYPH-NRFANRHFSA-N 305.403 1.831 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1 69771089 PBFPKYJUTRPBAJ-UHFFFAOYSA-N 314.389 1.363 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CNC[C@@H]2CN(C)CCO2)cc1C 69870104 WPFIJCXGBFZPHF-DOTOQJQBSA-N 319.449 1.401 0 40 DDAB Cc1nc(CN2CCCN(C(=O)c3cnn(C)c3)CC2)cs1 69875020 UJZGSAQCEXIHJS-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB Cc1ccc(C)c(C[S@](=O)Cc2cc(=O)n(C)c(=O)n2C)c1 66293824 MVEAVIDVHMWTAA-JOCHJYFZSA-N 320.414 1.150 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)CCO2)n1 76045652 BGZHRANWJVLLOU-MFKMUULPSA-N 320.418 1.953 0 40 DDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1C 69969868 XGWHDBFPFRXFPS-KBPBESRZSA-N 324.425 1.353 0 40 DDAB O=C(CCSc1ccc2nncn2n1)Nc1nccs1 71287456 YJWKUNYEYDSYAZ-UHFFFAOYSA-N 306.376 1.702 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2CCOCC2)C1 67801270 STXKSKQKWJNTQE-CYBMUJFWSA-N 312.410 1.929 0 40 DDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 9154826 CWRVXOXBXUVVNT-LLVKDONJSA-N 311.359 1.237 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C 9503577 HKDQFQUYJALYPK-LBPRGKRZSA-N 322.361 1.238 0 40 DDAB O=C1NCCN1C1CCN(C[C@@H](O)c2ccccc2F)CC1 71810531 QRZPVBNSQBUHII-OAHLLOKOSA-N 307.369 1.349 0 40 DDAB Cc1cc(C)n(CCN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900411 UJUMJBMPWCVKKF-CYBMUJFWSA-N 316.409 1.202 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccc2c(c1)NC(=O)CS2 84139929 KYGHHVZNZWFPSQ-UHFFFAOYSA-N 308.359 1.412 0 40 DDAB FC(F)(F)c1ccnc(N2CCn3c(nnc3C3CC3)C2)n1 72268310 ZMVCNJWGVYRBBE-UHFFFAOYSA-N 310.283 1.985 0 40 DDAB Cn1ccnc1N1CCN(C(=O)CCc2ccsc2)CC1 72292885 RBKZIXHLODRYCE-UHFFFAOYSA-N 304.419 1.763 0 40 DDAB C[C@@H](O)C[C@H]1COCCN1C(=O)NCCCc1cccc(F)c1 97095021 ACBLDUOKKIIFAW-CJNGLKHVSA-N 324.396 1.940 0 40 DDAB COC[C@@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 97110600 GLVTVAACGBMRGY-CHWSQXEVSA-N 316.423 1.228 0 40 DDAB CCOC(=O)c1cn(Cc2ccon2)c2nc(C)ccc2c1=O 97212550 IEWUYRLZJWYZTN-UHFFFAOYSA-N 313.313 1.918 0 40 DDAB Cc1ccc(NCc2nnc(C)n2C)cc1S(=O)(=O)N(C)C 97233269 GSHQPKKYQYZHIF-UHFFFAOYSA-N 323.422 1.294 0 40 DDAB O=C(CNC(=O)[C@@H](C1CC1)N1CCCC1)Nc1cccnc1 97376425 HBPRLQJZTAWMMA-OAHLLOKOSA-N 302.378 1.011 0 40 DDAB NS(=O)(=O)c1cccnc1N1CC[C@@H](Cc2ccccc2)C1 84525724 QPCSUAXYPAKKCK-AWEZNQCLSA-N 317.414 1.798 0 40 DDAB CC(=O)NC[C@@H]1CN(c2ccc(Br)cn2)CCO1 95399779 ZECZIAOPRBAHKF-LLVKDONJSA-N 314.183 1.185 0 40 DDAB COc1ccsc1S(=O)(=O)N1C[C@@H](CO)CC[C@H]1C 95454449 UWSBFCYJHFQFSU-ZJUUUORDSA-N 305.421 1.538 0 40 DDAB C[C@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCN1CC(F)(F)F 95447384 MRIHLRORNPMUMY-AAEUAGOBSA-N 323.359 1.834 0 40 DDAB Cc1ccccc1NC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 95423243 JAQYYBMJXGKVMB-CVEARBPZSA-N 324.446 1.029 0 40 DDAB O=S(=O)(c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 95994966 KFFOEDOCCFHLEX-ZDUSSCGKSA-N 306.391 1.379 0 40 DDAB CCNC(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1 95969687 WUXSCZPUJJAWFV-UHFFFAOYSA-N 313.313 1.782 0 40 DDAB C[C@H](CNC(=O)c1ccccc1N1CCOCC1)CC(=O)O 95992058 FHJIZSQALNTGQB-LBPRGKRZSA-N 306.362 1.364 0 40 DDAB C[C@H]1COCCN1C(=O)NCCc1csc(N2CCCC2)n1 74501490 KWEFGURYYVMRAK-LBPRGKRZSA-N 324.450 1.716 0 40 DDAB CN1CCO[C@@H](C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 89382926 XYYJXMHTTWUSFJ-DZGCQCFKSA-N 324.446 1.586 0 40 DDAB Cc1ccc([C@H](CNC(=O)NCC2(O)CCC2)N2CCCC2)o1 89652519 WPZWBQUIDWHDMD-AWEZNQCLSA-N 321.421 1.939 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408709746 WORWICTVVKURBC-GFCCVEGCSA-N 308.378 1.547 0 40 DDAB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2ccnn2)CC1 175125342 BBEWRVIRYSJQLW-UHFFFAOYSA-N 313.361 1.155 0 40 DDAB COC(=O)C(C)(C)NC(=O)CSCC(=O)c1ccccc1 60295834 FERZRKHXMSYUQC-UHFFFAOYSA-N 309.387 1.670 0 40 DDAB O=C([C@@H]1CN(c2cccc(F)c2)CCO1)N1CCC(O)CC1 72366441 RSXHEARGFGNLTJ-HNNXBMFYSA-N 308.353 1.014 0 40 DDAB COC(=O)c1cc(F)ccc1CN1C(=O)[C@@H]2CCCN2C1=O 78440778 HZJYGKKMOMREKZ-LBPRGKRZSA-N 306.293 1.539 0 40 DDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cccc(C(=O)O)n1)C2 531997015 YDXWWUDSLWICDW-NSHDSACASA-N 312.329 1.166 0 40 DDAB Cc1nc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)no1 72367305 ZXWFAWTXDUVHFI-MRXNPFEDSA-N 306.410 1.958 0 40 DDAB COCCC1(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCC1 125338448 AVGNKVQBLLLQHF-HNNXBMFYSA-N 322.449 1.958 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218531067 OZRFEMVEMOUZPJ-RDBSUJKOSA-N 317.838 1.975 0 40 DDAB CC(C)c1nc(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)no1 557293723 FCCYUYKVYDBEOP-LBPRGKRZSA-N 320.393 1.425 0 40 DDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@@H]1c1ccccc1 72238032 UNBJQEILJSQWFQ-KBPBESRZSA-N 301.302 1.212 0 40 DDAB Cc1ccccc1OCC(=O)NCC[C@H](O)C1CCOCC1 217916673 DVZALJUZCARXRG-HNNXBMFYSA-N 307.390 1.668 0 40 DDAB CCNc1ccc(S(=O)(=O)N[C@H](C)CC)cc1C(=O)O 217704560 HGNZTQNINOUKRZ-SECBINFHSA-N 300.380 1.893 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CCC(=O)N1Cc1cccs1 72239742 KYHUVUOQAABOAG-DGCLKSJQSA-N 308.403 1.534 0 40 DDAB Cn1ccnc1[C@H]1CCN(C[C@@H](O)COc2ccccc2F)C1 565841259 ORQCCRORYPWSLI-UONOGXRCSA-N 319.380 1.788 0 40 DDAB CN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C1CCCC1 139926745 YCZWYICJIOXIKN-OKILXGFUSA-N 304.390 1.729 0 40 DDAB O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCCS1(=O)=O 76823432 FEBYJHGYGMBXFX-MWLCHTKSSA-N 301.314 1.630 0 40 DDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1 43767993 WYUSRYQPKZPUMW-UHFFFAOYSA-N 320.370 1.655 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(F)ccc1F 45896202 FFZPPRIUUHFUQZ-NSHDSACASA-N 307.260 1.413 0 40 DDAB CCC[C@H](C)NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225883653 NSTUDRIIVHGARY-QMMMGPOBSA-N 319.452 1.766 0 40 DDAB Cn1ccc(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)n1 41548951 YYHYALCTBFAMEA-CQSZACIVSA-N 320.736 1.802 0 40 DDAB COc1ccccc1-c1c2c(=O)n(C)ccc2nc2ncnn12 40398127 LVQWFJVVXNPZJX-UHFFFAOYSA-N 307.313 1.652 0 40 DDAB C[C@H](O)c1ccc(CCNS(=O)(=O)c2cnoc2)s1 225689353 LOOVAJSXMQUAFC-QMMMGPOBSA-N 302.377 1.310 0 40 DDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccoc2)C1 225495111 PVTSXOZOAGHANU-LBPRGKRZSA-N 303.318 1.762 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)o1 573150205 JHUUKPIFYZFGAX-CQSZACIVSA-N 315.391 1.547 0 40 DDAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223597040 AGTIURRRIMFQDY-LSDHHAIUSA-N 316.430 1.868 0 40 DDAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccncc1 224353841 ROBMNPHZXHSZAF-UHFFFAOYSA-N 312.377 1.790 0 40 DDAB CC(C)Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)[nH]n1 97373331 BONDZKMNMSHBDE-UHFFFAOYSA-N 319.365 1.427 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N(Cc1ccsc1)C1CC1 95397232 VSXXDLNRQQLIDT-CQSZACIVSA-N 322.430 1.877 0 40 DDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107486 RSJCFTFMTAUVGE-YOEHRIQHSA-N 317.389 1.667 0 40 DDAB CN1C[C@@H]2CN(C(=O)c3ccsc3)CCC[C@]2(C(=O)O)C1 96100483 GHCXTLZMOSSDEH-DOMZBBRYSA-N 308.403 1.617 0 40 DDAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc[nH]c1=O 95477653 LJYGOPWVPQJZFO-LLVKDONJSA-N 320.374 1.870 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCc1cccc(F)c1 96344358 UEJTXEWRVZEZAI-UHFFFAOYSA-N 315.348 1.578 0 40 DDAB c1cncc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 96038542 BUOJGHNQYKRRBN-JKSUJKDBSA-N 311.389 1.209 0 40 DDAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]3O2)no1 96046404 LSJPHOZFNZHTAW-WCFLWFBJSA-N 315.333 1.160 0 40 DDAB Nc1nccnc1C(=O)N(Cc1cccs1)C[C@H]1CCCO1 96474184 JKEYGNZSJRKLTQ-LLVKDONJSA-N 318.402 1.942 0 40 DDAB CCc1nc(NC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)n[nH]1 95477163 RZSGXFILUXXVMI-UHFFFAOYSA-N 314.353 1.360 0 40 DDAB CCN1CCOC[C@@]2(CCCN(C(=O)c3cccc(C)n3)C2)C1 96049610 GUTVAGGAJZFKBI-SFHVURJKSA-N 317.433 1.965 0 40 DDAB Cc1cnc(N2C[C@H]3CCN(C(=O)c4cnccn4)C[C@@H]3C2)nc1 96249185 MJLSMDDMNOSPDU-ZIAGYGMSSA-N 324.388 1.174 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3ccccn3)C2)C1 96062313 IERNRLRHNPCFLV-KRWDZBQOSA-N 305.422 1.252 0 40 DDAB Cn1cc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cn1 96296293 BQCFDBVWMINIGH-INIZCTEOSA-N 323.400 1.972 0 40 DDAB biogenic,in-vitro CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(CN)COC)cc1 242463905 DPYHRDDCUSZRRL-OWCLPIDISA-N 311.447 1.741 0 40 DDAB Cc1ccnc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257241857 HZXLPFGASUGGGW-AWEZNQCLSA-N 314.393 1.215 0 40 DDAB CC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3nccnc23)C1 257219440 DGTQRCCOYJTECQ-SNVBAGLBSA-N 318.402 1.729 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257337185 YRTRRWPHRDRLJL-CQSZACIVSA-N 315.377 1.362 0 40 DDAB CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257333721 YCUCYOKJOALHIC-JFIYKMOQSA-N 320.408 1.814 0 40 DDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccnc1)C2 253382751 JDJBELLPDGFBPP-CQSZACIVSA-N 310.419 1.107 0 40 DDAB C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)NCc1ccco1 41250110 HUSDESIREADSFD-VIFPVBQESA-N 308.284 1.993 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc3ccccc3c2)C1 257273372 NGGYQDRCRNIHKF-LJQANCHMSA-N 312.413 1.907 0 40 DDAB CC(C)NC(=O)CN1C(=O)CC[C@]12CCCN(CC1CC1)CC2 585100523 LXBMZEMBNRSZHW-SFHVURJKSA-N 321.465 1.768 0 40 DDAB COC(=O)[C@@](C)(NC(=O)[C@H](C)OC)c1cc(F)ccc1F 69702668 VTZPWWNGMKKRDX-RTHLEPHNSA-N 301.289 1.504 0 40 DDAB COCCN1CCN(Cc2nc(-c3ccsc3)no2)C[C@H]1C 69951071 WZDCOVSPLZTGAM-GFCCVEGCSA-N 322.434 1.951 0 40 DDAB C[C@H](CN(Cc1ccccc1)C(=O)c1cnn(C)c1)C(=O)O 97017817 SOTDIVVTCHIIFI-GFCCVEGCSA-N 301.346 1.783 0 40 DDAB CS(=O)(=O)Cc1nc(CN2CCOC[C@@H]2C2CC2)cs1 90007482 GKYYBIQMIULZJR-GFCCVEGCSA-N 316.448 1.299 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H](N(C)S(C)(=O)=O)C1 1888849867 DDQRXKATJIDDAS-LBPRGKRZSA-N 301.412 1.147 0 40 DDAB COC1CN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)C1 1772595741 KWWNYMPYSBJWLM-YCPHGPKFSA-N 320.364 1.294 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)[C@@H]2C[C@@H]2C)c1C 5701474 KZWQLMHDGATOER-WCQYABFASA-N 318.373 1.557 0 40 DDAB Cc1csc(NC(=O)c2cc(F)ccc2-n2cnnn2)n1 12408841 UCMWLYCFNHZPGO-UHFFFAOYSA-N 304.310 1.819 0 40 DDAB COc1ccc(CNC(=O)[C@@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 14014652 ZDJHWBPZRPVRFH-MELADBBJSA-N 306.406 1.809 0 40 DDAB COc1coc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1=O 16850862 WJKYNQLLKSSKRF-UHFFFAOYSA-N 302.286 1.859 0 40 DDAB O=C(NCc1ccc(Cl)cc1)N1C[C@H]2C[C@H]1CS2(=O)=O 575608297 RZVSSVSHQUWCQV-NWDGAFQWSA-N 314.794 1.421 0 40 DDAB Cc1cccc(OC[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 1775995947 OJFVJGPTQHPJGW-CYBMUJFWSA-N 310.419 1.973 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ncon3)C2)cc1 238892789 QTVBIPLBRXYCAL-SNVBAGLBSA-N 309.347 1.256 0 40 DDAB CCOC(=O)CCC(=O)N1CCC(Oc2ccncc2)CC1 252489595 JUOJMLFRFMKQMG-UHFFFAOYSA-N 306.362 1.795 0 40 DDAB COC1(CNC(=O)C(=O)Nc2ccccc2)CCSCC1 252549271 RAKPYULDJHVGGD-UHFFFAOYSA-N 308.403 1.654 0 40 DDAB CCOC(=O)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505653 GKYQJUHSEFWUES-UHFFFAOYSA-N 317.341 1.576 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)sn1 575620443 RAXUHILZBKZBPR-SECBINFHSA-N 304.375 1.697 0 40 DDAB O=C(O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20201035 SKQRCIZXKPFTNX-SECBINFHSA-N 310.737 1.284 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nnc2n1CCC2 40486274 LBSDXPCYLMABQU-MEBBXXQBSA-N 314.345 1.069 0 40 DDAB COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1OC 216174 BSDPQOKMZVMDAT-UHFFFAOYSA-N 306.362 1.446 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCOC3)CC2=O)cc1 40514273 ICLHVNCPEJOIIH-OLZOCXBDSA-N 318.373 1.201 0 40 DDAB CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@](O)(C(F)(F)F)C1 814211 WWXYWENATOPTMB-ZYHUDNBSSA-N 302.252 1.579 0 40 DDAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1N 11520622 HPOQVOQDKCEASE-VIFPVBQESA-N 306.391 1.117 0 40 DDAB Cc1ccsc1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 40505313 UQCOWWYRVOHQKW-KGLIPLIRSA-N 324.446 1.524 0 40 DDAB Cc1cn2nc(N3CCCN(c4ncccn4)CC3)sc2n1 69567665 DIBHHNAVTWZHKC-UHFFFAOYSA-N 315.406 1.606 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H](NCCCN)C(=O)O 4280165 HPZMSTAQZJFHIA-LBPRGKRZSA-N 313.785 1.369 0 40 DDAB COc1cccc(-c2nc(CC(=O)NCCC(=O)O)cs2)c1 20715572 GNTMFRXUKZVUSQ-UHFFFAOYSA-N 320.370 1.952 0 40 DDAB O=S(=O)(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCCO1 69569488 QPTUKZWVIATAGV-HNNXBMFYSA-N 306.387 1.966 0 40 DDAB CC(C)CCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 109044643 MTHHOVKQWNJDQD-MRXNPFEDSA-N 318.417 1.966 0 40 DDAB Cc1noc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)n1 29660923 SSHUCOPYRCXMSS-UHFFFAOYSA-N 304.325 1.475 0 40 DDAB CCc1nc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)cs1 83830288 WYZPRJQADCACGC-LLVKDONJSA-N 324.450 1.545 0 40 DDAB CN1CCN(C(=O)NCc2cnn(C)c2)[C@H](c2ccccc2)C1 54809183 PMFLLFYUOWYPNJ-INIZCTEOSA-N 313.405 1.618 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nccs1)C2=O 8131221 CWKHFUYATDIXAB-XPTSAGLGSA-N 322.390 1.582 0 40 DDAB Cc1cccc(C2(C(=O)NCCC(=O)N3CCOCC3)CC2)c1 53028969 CCDZSQONDGWTRX-UHFFFAOYSA-N 316.401 1.392 0 40 DDAB CN1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 33364734 LIICAASSTCKDCK-UHFFFAOYSA-N 322.352 1.783 0 40 DDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN([C@H]3CCOC3)C2)C1 107232084 PJBJWLNKMBECRG-XJKSGUPXSA-N 316.361 1.030 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 53645196 HNWMMADZTCKGQQ-UHFFFAOYSA-N 310.419 1.089 0 40 DDAB Cn1ncc(I)c1C(=O)N1CCCC1 2806710 RZFRXUBIVSZHKI-UHFFFAOYSA-N 305.119 1.261 0 40 DDAB NC(=O)COc1nc2c3c4c(sc3ncn2n1)CCCC4 12390893 OMDOAAXSXVAJJX-UHFFFAOYSA-N 303.347 1.082 0 40 DDAB CCn1cc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C)n1 101615634 GWDKSYUZXOTWAF-ULZOKTCUSA-N 317.389 1.912 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc[n+]1[O-] 47298213 FRWYNMWBFALSDP-LBPRGKRZSA-N 300.314 1.232 0 40 DDAB Cn1nc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)ccc1=O 47224678 AACWDXISTGWEDL-UHFFFAOYSA-N 301.302 1.540 0 40 DDAB c1cnc(N2CCC[C@@H](NCc3cccc4c3OCO4)C2)nc1 42797446 MPODMOHOUKEYSH-CQSZACIVSA-N 312.373 1.964 0 40 DDAB CCCCc1nc(C)c(C(=O)NCCNS(C)(=O)=O)s1 43012425 XOQJYXDIPFHWSF-UHFFFAOYSA-N 319.452 1.073 0 40 DDAB NS(=O)(=O)c1cccc(CNC(=O)c2cccc(Cl)c2)c1 24580936 BSMUIWLTAGGBKO-UHFFFAOYSA-N 324.789 1.917 0 40 DDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 57355490 GYDSPNSISQUZGT-DOTOQJQBSA-N 315.417 1.370 0 40 DDAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100621548 YNGMLSKSWGCPPB-RVMXOQNASA-N 309.749 1.834 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCO[C@@H](CN(C)C)C1 106787359 FUTRTMIFIQZHMR-ZBFHGGJFSA-N 317.433 1.227 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 43700475 HRLXZYGDSZKLSM-SECBINFHSA-N 304.129 1.919 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccncc1 28576452 XCBVUBCUXVTSBI-NSHDSACASA-N 310.317 1.463 0 40 DDAB CCCn1nc(C(=O)N[C@H]2CCOc3ccccc32)ccc1=O 44868693 DVIOMPYSPAVVCR-ZDUSSCGKSA-N 313.357 1.907 0 40 DDAB C[C@@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)C[C@@H](C)O1 10237677 QDEQMAAVDGNHNI-CHWSQXEVSA-N 323.418 1.475 0 40 DDAB Cc1ccnc(NC(=O)CN(C)c2cc(C)nc3ncnn23)c1 58223295 HAOJXJNVQNVHAV-UHFFFAOYSA-N 311.349 1.211 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 44913193 YIWXPVPYFWPQFS-STQMWFEESA-N 316.357 1.969 0 40 DDAB CN1C[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1=O 44911743 HCHSZVKRFZAWFT-OLZOCXBDSA-N 321.446 1.480 0 40 DDAB O=C(Nc1cccnc1-n1cncn1)c1cnc2ccccc2n1 58341312 ZGUNBPRMSPKHTK-UHFFFAOYSA-N 317.312 1.858 0 40 DDAB COc1ccc(Br)cc1CN1CC[C@H](C(N)=O)C1 48041485 KKBDSOISZJRLHB-VIFPVBQESA-N 313.195 1.765 0 40 DDAB Nc1nccnc1C(=O)NCCc1nc2c(s1)CCCC2 58423276 ZCIZGPJRWKMFLF-UHFFFAOYSA-N 303.391 1.367 0 40 DDAB O=C1NCc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc21 58497286 JDWKQIRDBIZKSI-UHFFFAOYSA-N 323.761 1.779 0 40 DDAB O[C@H](CNCc1nnnn1Cc1ccccc1)c1ccccc1 48262306 CDIDSHVILDUFSU-MRXNPFEDSA-N 309.373 1.545 0 40 DDAB CN1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H](c2ccccc2)C1 48261383 FXNILWVZWYRIMW-OAHLLOKOSA-N 317.433 1.664 0 40 DDAB O=C(Cn1cccn1)NC[C@H](c1cccs1)N1CCCC1 48234284 IEYYXFYVWPKKNX-CYBMUJFWSA-N 304.419 1.898 0 40 DDAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCNC(=O)C1 48315569 OZLRXQYIZLMDJT-MRVPVSSYSA-N 317.172 1.719 0 40 DDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H](n2ccnc2)C1 69662553 VYVRSMFSZJZRBY-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O 3645046 WUQKUDDPOSWVHA-ILXRZTDVSA-N 301.390 1.723 0 40 DDAB CS(=O)(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 13330474 NDDIKNHJPDZUHH-UHFFFAOYSA-N 306.790 1.556 0 40 DDAB CC1(C)CC(=O)c2cc(C(=O)NC[C@@H]3CCCO3)c(=O)[nH]c2C1 49544215 AGKXTIADPHGUTR-JTQLQIEISA-N 318.373 1.439 0 40 DDAB COC(=O)c1ccsc1NC(=O)C[C@@H]1SC(=N)NC1=O 5016677 IVZAPZJRKXNFAN-LURJTMIESA-N 313.360 1.030 0 40 DDAB Cc1ccccc1OCC(=O)NCCNC(=O)c1ccco1 5015360 GCXRMEKWUWVHNS-UHFFFAOYSA-N 302.330 1.513 0 40 DDAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1 17185544 BUPPIMABSWJPAR-WDZFZDKYSA-N 320.326 1.766 0 40 DDAB C[C@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)C1CC1 65451791 XMUZMPJLNASRAP-VHSXEESVSA-N 311.407 1.493 0 40 DDAB CCCCc1ccc(NC(=O)[C@H](CCC(N)=O)NC(C)=O)cc1 65593982 TWYGRXOBOAKBNO-HNNXBMFYSA-N 319.405 1.738 0 40 DDAB COCCCS(=O)(=O)N1CCN(Cc2occc2C)CC1 92062717 DGEYSYPQXTXALD-UHFFFAOYSA-N 316.423 1.072 0 40 DDAB Cc1nc(CN2CCC[C@H](NCc3nc(C4CC4)no3)C2)no1 69874590 YYPSKGUJBWNDMB-LBPRGKRZSA-N 318.381 1.393 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 66084198 VVHQNLFIZIFYIS-ZDUSSCGKSA-N 300.717 1.936 0 40 DDAB CC(C)OCCCNC(=O)CCN1C(=O)c2ccccc2C1=O 6648593 CWGTXUPYHIBXGK-UHFFFAOYSA-N 318.373 1.604 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)cc2F)CC1 69951530 WDLDVZOOOYAOTK-GFCCVEGCSA-N 310.369 1.363 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H]1Cn1cccn1 69974183 DLKSUOHNPBNGCJ-BBRMVZONSA-N 313.357 1.714 0 40 DDAB CCN(CC(=O)NC(C)C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 15420502 BZEODZKMXWZYEO-QLFBSQMISA-N 311.470 1.774 0 40 DDAB COc1cc(S(=O)(=O)N(C)C(C)C)ccc1NC(C)=O 7376017 WKEHOLBXHKHWBZ-UHFFFAOYSA-N 300.380 1.683 0 40 DDAB CC(C)n1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425684 ZBPXMZLYVCFJSW-SNVBAGLBSA-N 305.382 1.241 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)NCc2nc(C)c(C)s2)C1 80589296 JEDXPWIRLYNGSW-NSHDSACASA-N 310.423 1.428 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2ccccc2F)NC(=O)NC1 18322695 VJDBQFJCBFXRTB-UHFFFAOYSA-N 322.292 1.113 0 40 DDAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@]21C(=O)Nc2ccccc21 71280740 CLPILYOPJNCHMC-INIZCTEOSA-N 312.329 1.987 0 40 DDAB Cn1cc(C(N)=O)c(NC(=O)C[C@@H]2CCOc3ccccc32)n1 89749806 KDBPYDGWBRLPNO-JTQLQIEISA-N 314.345 1.414 0 40 DDAB O=C(COCC(F)(F)F)N1CCCC[C@@H]1Cn1cccn1 71865273 SWHCEJBBYSYRTN-LLVKDONJSA-N 305.300 1.843 0 40 DDAB CN(Cc1nnc(C2CC2)o1)C[C@H]1CCCN1c1cccnn1 71860062 KVPYRPYUHUBLEZ-CYBMUJFWSA-N 314.393 1.838 0 40 DDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C[C@@H](C)O)CC2)s1 71871472 QLYJUICTRCEGKR-BNOWGMLFSA-N 308.447 1.685 0 40 DDAB O=C(OC[C@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 89883710 MYJIQPSNEOIJTH-UKRRQHHQSA-N 318.373 1.542 0 40 DDAB CCc1c(C)cc(C(=O)N2CCC[C@@H](N(C)C)CC2)c(=O)n1C 72158560 BQZBVLXKNWSCSM-CQSZACIVSA-N 319.449 1.812 0 40 DDAB COc1nc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)n[nH]1 97048545 DYWXYSGWIFJYJM-UHFFFAOYSA-N 316.296 1.699 0 40 DDAB CC(C)(C)n1ncc2c(=O)[nH]c(NCCn3ccnc3)nc21 97115227 VRINQOFYEGQQNS-UHFFFAOYSA-N 301.354 1.183 0 40 DDAB COc1cc(C)sc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76053331 WSWIQEROGBXTND-DGCLKSJQSA-N 324.446 1.858 0 40 DDAB CN1CCC(O)(CNC(=O)c2ncoc2-c2ccco2)CC1 72310396 FJKFWTIQCFZCTO-UHFFFAOYSA-N 305.334 1.121 0 40 DDAB CC(=O)N1CCC(N[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 72314530 JJPGVQQNGPEPOB-CQSZACIVSA-N 317.433 1.634 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN([C@@H](C)c3cccnc3)C2)C1=O 84597295 ZEAMHMUYOUHSAD-BLLLJJGKSA-N 302.378 1.547 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)c1n[nH]c(=O)c2ccccc12 95369549 FELBBESESWLKIQ-NSHDSACASA-N 301.346 1.564 0 40 DDAB CN(CC(F)(F)F)C(=O)COc1ccccc1-c1nc[nH]n1 95437210 JVTTXFKRLRTDHT-UHFFFAOYSA-N 314.267 1.871 0 40 DDAB OCC[C@H]1COCCN1Cc1nc(-c2ccc(Cl)cc2)no1 95446812 QFWRHDHOMVTBGM-ZDUSSCGKSA-N 323.780 1.973 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O 95425297 UPYBBAMAUSPYNR-LLVKDONJSA-N 319.386 1.774 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(C)=O)c2)[C@@H]1OC 95942396 LFNQBOHNPNOYOO-KFWWJZLASA-N 321.377 1.959 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCO[C@H]2CCCC[C@@H]21 95960398 UGLSERSVRXXIII-KBPBESRZSA-N 321.421 1.494 0 40 DDAB Cc1ccc(C(=O)N2CCNC(=O)[C@H]2C)c(Br)c1 95974090 MHDNGJNUCZFRFU-SECBINFHSA-N 311.179 1.718 0 40 DDAB CSC[C@@H](CCO)NC(=O)c1ccc(Br)cn1 95976884 SVLMVRNVQDXERK-SECBINFHSA-N 319.224 1.688 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cnn(CC)c1)CC2 89305767 NKDLOLFEFUNEMD-ZIAGYGMSSA-N 307.394 1.295 0 40 DDAB c1ccc2sc(CN3CCO[C@@H](Cn4cncn4)C3)nc2c1 75132035 CAUAXUIAAQGOKR-GFCCVEGCSA-N 315.402 1.789 0 40 DDAB CC(=O)Nc1cnn(CC2CCN(c3ccnc(C)n3)CC2)c1 72369078 NCJBXZQLAATNQZ-UHFFFAOYSA-N 314.393 1.857 0 40 DDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(CO)o2)on1 548679423 RYVNWRFZEKLXPP-STQMWFEESA-N 323.368 1.771 0 40 DDAB Nc1ccc(N2CCN(c3cccc(O)c3)CC2)c(C(=O)O)c1 408712821 UMIGYYZOXQHYTJ-UHFFFAOYSA-N 313.357 1.999 0 40 DDAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2C)n1 35424980 AXAJGSJWFVTOPJ-LBPRGKRZSA-N 304.350 1.924 0 40 DDAB biogenic,in-vitro Cc1cc(CN2CCN(c3ncnc4c3CCCC4)CC2)no1 365918616 HFLZOUONVPGRCE-UHFFFAOYSA-N 313.405 1.974 0 40 DDAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)cc(N2CCCC2)n1 72364665 UQUAMXJNJYPWEM-CYBMUJFWSA-N 324.450 1.524 0 40 DDAB O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1cccc2c1COCC2 1571125629 GXLFJSMGLVQFQE-NCZKRNLISA-N 315.369 1.988 0 40 DDAB C[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 79409890 BMQYPODQRWUAGO-NWDGAFQWSA-N 311.426 1.582 0 40 DDAB Cc1nnnn1-c1ccc(C(=O)NCCc2ccccc2)cc1 71279823 WMPQPWVRAQMNRF-UHFFFAOYSA-N 307.357 1.943 0 40 DDAB CC(=O)c1c(O)cc(C)n([C@H](Cc2ccccc2)C(=O)O)c1=O 41104851 REMCNLSXYBANKT-CYBMUJFWSA-N 315.325 1.933 0 40 DDAB CC(C)=CCC[C@H](C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 138697197 AYRGGDSIYYYSRA-JQIDMEAISA-N 305.374 1.988 0 40 DDAB COCC[C@@](C)(O)CNC(=O)C1(c2ccccc2)CCOCC1 174872863 QLZHPQHGWUQHRT-QGZVFWFLSA-N 321.417 1.639 0 40 DDAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)[nH]1 223598357 OHAUEGIUXUTLAX-KBPBESRZSA-N 302.403 1.683 0 40 DDAB CC(C)N1C(=O)C[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1=O 81806683 DLAFRCFDCHRLKO-LLVKDONJSA-N 318.304 1.838 0 40 DDAB CC(C)NC(=O)Nc1ncnc2c1ncn2C(=O)NC(C)C 44790157 ZLQSKPMZZKWTJN-UHFFFAOYSA-N 305.342 1.322 0 40 DDAB CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CCCSC1 575054329 MCKZHXDEQJEYDN-GHMZBOCLSA-N 303.449 1.637 0 40 DDAB Cn1c(SCc2nc(-c3nc[nH]n3)no2)nnc1C1CCC1 195576563 RHEXPFZPBIDKPM-UHFFFAOYSA-N 318.366 1.543 0 40 DDAB COC(=O)C1(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 193654102 QPIREADSNMUCNM-OCCSQVGLSA-N 304.390 1.747 0 40 DDAB O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(C1CCCCC1)C2 96038725 BARTYCKIBZINFW-SJLPKXTDSA-N 322.449 1.659 0 40 DDAB CCN(C)c1ccnc([C@H]2COCCN2CC2CCOCC2)n1 96220668 QQNVMJOTDXZOSD-OAHLLOKOSA-N 320.437 1.733 0 40 DDAB CCOC(=O)Cn1c(=N)sc2cc(C(=O)OCC)ccc21 334159717 ZEFXIRYMZOKIRC-UHFFFAOYSA-N 308.359 1.922 0 40 DDAB CO[C@@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 96413298 APQFHXZZCAQWSP-NWDGAFQWSA-N 320.311 1.987 0 40 DDAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccn3)CC[C@@H]12)NCC1CC1 96206115 HRDZPNMMMWZEAC-KFWWJZLASA-N 316.405 1.234 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccsc1)CCC2 96059562 AWLGLJISWGZRSQ-UHFFFAOYSA-N 318.446 1.772 0 40 DDAB Cn1cc(N2C[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2=O)cn1 96053674 PHGXAIHJRGEKPE-JQWIXIFHSA-N 316.386 1.217 0 40 DDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCSC1 96436161 DWSDZAPSQRSAGL-OAHLLOKOSA-N 306.431 1.810 0 40 DDAB CNC(=O)NC[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1 96224965 DHGQGIPIERVMLI-CYBMUJFWSA-N 319.409 1.171 0 40 DDAB O=C1COC2(CCN(C(=O)c3ccoc3)CC2)CN1CC1CC1 96062162 XLVWJBOSYVDUEF-UHFFFAOYSA-N 318.373 1.523 0 40 DDAB O=C(c1ccco1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184440 WVTXVOZZPFIHRI-LSDHHAIUSA-N 304.390 1.995 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@H](O)c1ccccc1Cl 96487017 UBYDZKZYHLVVRW-TYNCELHUSA-N 324.808 1.353 0 40 DDAB NCC(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257340565 ZGRVDZJDHUCALH-UHFFFAOYSA-N 312.377 1.280 0 40 DDAB O=C(C1CCCCC1)N1CCn2c(nnc2[C@@H]2CCCN2)C1 257248778 JFDRTXAFLKWWFF-ZDUSSCGKSA-N 303.410 1.625 0 40 DDAB Cc1nc(CN2CCO[C@H](c3nccnc3N(C)C)C2)cs1 257249844 JJZFQUFBYYKMSW-ZDUSSCGKSA-N 319.434 1.881 0 40 DDAB Cc1nccc([C@@H]2CCCN2C(=O)CCN2CCOCC2)n1 257340566 ZGRWZOGFFXMJMO-HNNXBMFYSA-N 304.394 1.171 0 40 DDAB Cn1cccc(C(=O)NCCn2cc(-c3ccccc3)cn2)c1=O 253473396 USYHWZPKLGXHHD-UHFFFAOYSA-N 322.368 1.679 0 40 DDAB Cc1nc[nH]c1CN1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257294018 QSBYPWZPWWAPGI-GFCCVEGCSA-N 323.422 1.572 0 40 DDAB COCC(=O)N[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1O 257225991 FIRUTGKOBTWWKL-ZIAGYGMSSA-N 320.414 1.209 0 40 DDAB CN([C@H](C(=O)N1CCCCC1)c1ccccc1)S(C)(=O)=O 260811078 NEUSSLXWAJWXTK-AWEZNQCLSA-N 310.419 1.632 0 40 DDAB O=C(O)[C@H]1C=C[C@@H](NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1 573426189 NWSQPPFZWUZAEE-RFQIPJPRSA-N 307.371 1.491 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccc2c(c1)CCC2 585279797 YOZINDXCTVPUIG-GOSISDBHSA-N 316.401 1.672 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)C1CCC(F)(F)CC1 585277305 HYHAPCMZHBYASO-AWEZNQCLSA-N 318.364 1.695 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccccc1S(=O)(=O)C(F)F 585140150 ZPFPLYLXXPRIEA-SECBINFHSA-N 319.329 1.592 0 40 DDAB O=C(Cn1nnc2ccccc21)N(C[C@H]1CCOC1)C1CC1 44941006 UIUAAACKDIGSOL-GFCCVEGCSA-N 300.362 1.459 0 40 DDAB Cc1nc(NC(=O)NCCC(=O)Nc2ccccn2)oc1C 65983416 MGORLNAOCMPJIR-UHFFFAOYSA-N 303.322 1.837 0 40 DDAB Cc1nc(C(=O)NC[C@@H](C)N(C)C)nn1-c1ccccc1Cl 69260378 ALQNKMOQZYMGKZ-SNVBAGLBSA-N 321.812 1.909 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119140 AXNSQCTXXSCWTP-VIFPVBQESA-N 313.404 1.937 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1cccc(F)c1 5704225 QDLJJRHKRYZEIE-VOTSOKGWSA-N 308.309 1.616 0 40 DDAB Cc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3occc3n12 12115427 ZDDIGXSKTQTCPZ-UHFFFAOYSA-N 302.334 1.465 0 40 DDAB Cc1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc1C 19946651 VWVWJRLAONEPOE-UHFFFAOYSA-N 312.435 1.842 0 40 DDAB COC(=O)C1CCN(C(=S)NC(=O)c2ccc(C)cc2)CC1 226349952 OWXLXLJTLZBAAY-UHFFFAOYSA-N 320.414 1.895 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2nc(C)no2)nn1 1888843768 KBPQCSOBOXCKQX-PBWFPOADSA-N 318.381 1.484 0 40 DDAB Cc1noc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 26445290 BYAVSZRQZAEIOH-UHFFFAOYSA-N 322.315 1.614 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1 31694903 RICRTJKVAJKACI-MRVPVSSYSA-N 304.268 1.952 0 40 DDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)c1ccns1)C2 2056224591 XQQRLWHANJHOFY-JTQLQIEISA-N 313.448 1.079 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)cs1 1565543013 YRPWAPUPGSDRGY-VXGBXAGGSA-N 317.418 1.379 0 40 DDAB CC1=NN(C(=O)COc2ccccc2)[C@](O)(c2cccnc2)C1 4498339 ZJZQGBLVASUQJJ-QGZVFWFLSA-N 311.341 1.914 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H](NCCCCCCN)C(=O)O 10434164 KHMTZUHJUJMBAW-OAHLLOKOSA-N 321.421 1.886 0 40 DDAB CNC(=O)c1nn(-c2ccccc2)c(C(=O)OC(C)(C)C)c1N 1775967382 PLKIUCCYZRUSHT-UHFFFAOYSA-N 316.361 1.769 0 40 DDAB Cc1ccc(C(=O)N2CC(Oc3ccnc(C(N)=O)c3)C2)s1 1889133946 INADMVYATYEKMK-UHFFFAOYSA-N 317.370 1.454 0 40 DDAB Cn1c(=O)c2ccccc2n(Cc2nc3ccccc3n2C)c1=O 19625415 ZFJIQRFFDUGDSF-UHFFFAOYSA-N 320.352 1.635 0 40 DDAB C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccco1 75156265 JJSDEYSICJUAJG-MRXNPFEDSA-N 320.320 1.059 0 40 DDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccccc2)C(=O)N1 79635 QUOVFDCGGVVBMP-VXGBXAGGSA-N 322.386 1.179 0 40 DDAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N2CCOCC2)C1=O 423225 IWAUQXFUGKAUQD-CQSZACIVSA-N 318.373 1.358 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccccc1Cl 569504 LFEJXBWEMMPZKD-UHFFFAOYSA-N 324.797 1.863 0 40 DDAB CCOCC(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 11342888 QBUZAKZIIMYFAP-UHFFFAOYSA-N 317.349 1.586 0 40 DDAB C[C@H](CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 29189672 IRRUTIZEBDMSJQ-UKRRQHHQSA-N 324.446 1.720 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccccn1 21183711 WWGJLYORCDGARH-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB CCOC(=O)Cc1ccc2[nH]c(C(=O)OCC)cc(=O)c2c1 4878223 FYPQFNMTPAFZHB-UHFFFAOYSA-N 303.314 1.810 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccoc3)CC2)C1 108532232 ODRZTAHGXKEHQQ-UHFFFAOYSA-N 312.391 1.214 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)cc1F 102382535 PKSQKZUCSAMHRL-GHMZBOCLSA-N 320.295 1.855 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cc1 21518758 NCIOBLYUKPOOPQ-CYBMUJFWSA-N 313.375 1.667 0 40 DDAB O=S(=O)(Nc1ccc(N2CCOCC2)nn1)c1ccccc1 2634439 OXQQUABXROAUOP-UHFFFAOYSA-N 320.374 1.114 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCc2cccs2)C[C@H](C)O1 32895600 DBHZHFDFGGGHSM-QWRGUYRKSA-N 304.437 1.234 0 40 DDAB O=C1N[C@]2(Nc3ccccc31)C(=O)Nc1cc3c(cc12)OCCO3 8160929 GVAQCURCNIONKN-KRWDZBQOSA-N 323.308 1.418 0 40 DDAB CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 69043610 GZMNYKRFMXATGX-OAHLLOKOSA-N 308.447 1.936 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2COCCO2)cc1OC 32936619 RCSQNDREUXCPJN-CZUORRHYSA-N 321.373 1.783 0 40 DDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC(CO)CC2)n1 71954754 DNKGUGOXMRLLTB-UHFFFAOYSA-N 304.316 1.770 0 40 DDAB COc1cccc([C@@H](NC(=O)c2cnccn2)c2nccn2C)c1 29987216 MGWQXVFKFRARSX-OAHLLOKOSA-N 323.356 1.738 0 40 DDAB C[C@H](C(=O)N(C)CCCOc1ccc(F)cc1)n1cncn1 41469152 OVPLPPZENOQUNC-GFCCVEGCSA-N 306.341 1.906 0 40 DDAB CCOC(=O)[C@H]1Sc2c(c(=O)n(C)c3ccccc23)C1=O 104232025 QELINHNPPVGWTK-ZDUSSCGKSA-N 303.339 1.759 0 40 DDAB Cc1cnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102919991 CHCCTKMJFUFSHG-AOOOYVTPSA-N 307.375 1.565 0 40 DDAB CCOc1ccc(NC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)cc1 9607274 XLZZEEOCDUKFDU-UHFFFAOYSA-N 304.306 1.414 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCN(C)C1 54220988 GFQPTIZLAXHTON-SNVBAGLBSA-N 303.391 1.342 0 40 DDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO 42874963 VSWGDFIPZLPHLH-UHFFFAOYSA-N 302.378 1.340 0 40 DDAB Cn1ncc(C(=O)Nc2ccc(CC(N)=O)cc2)c1-n1cccc1 24491781 MOHCMMAIWJGKGG-UHFFFAOYSA-N 323.356 1.491 0 40 DDAB O=C(Nc1cnccn1)c1c(O)n2c3c(cccc3c1=O)CC2 1297844 XNNPPZPBBXDLTA-UHFFFAOYSA-N 308.297 1.306 0 40 DDAB Nc1ncccc1C(=O)OCC(=O)Nc1cccnc1Cl 24601674 DTOWJXCDLJVJEQ-UHFFFAOYSA-N 306.709 1.508 0 40 DDAB C[C@H](C(=O)N(C)C1CCCCC1)N1CCO[C@@H](CN(C)C)C1 106787341 RFGWEWVNQIYBPL-ZBFHGGJFSA-N 311.470 1.428 0 40 DDAB CCN1CCN([C@H]2CCN(C(=O)CCc3ccccn3)C2)CC1 106804720 FWSUBVMHDNQXHF-KRWDZBQOSA-N 316.449 1.253 0 40 DDAB COCCN(CCOC)C(=O)c1ccc(CNC(C)=O)cc1 25378489 BZSFPYVJKRLOPI-UHFFFAOYSA-N 308.378 1.058 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)Cn2ccnc2)C12CCC2 107061377 VWHKAULZTZRYJW-MGPQQGTHSA-N 306.410 1.919 0 40 DDAB CCOC(=O)C1=C(CN2CCC[C@H]2C2CCCC2)NC(=O)NC1 55927873 AWPLGEKBHVNPIU-HNNXBMFYSA-N 321.421 1.771 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(C[C@H]2CCCCO2)CC1 35413658 RVTWEGMKNLITQD-OAHLLOKOSA-N 324.446 1.562 0 40 DDAB CCOc1ccc2c(c1)CN([C@@H](C)C(=O)NC(=O)NC)CC2 58293338 PLJQZJJGUVZNJT-NSHDSACASA-N 305.378 1.288 0 40 DDAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)NC2=O)cc1 3220823 HUULDKVZAIILJR-UHFFFAOYSA-N 312.325 1.787 0 40 DDAB CN(C)c1cc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)ccn1 44915943 QQCJAUZGUSUNTK-AWEZNQCLSA-N 324.384 1.890 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)CCO1 44968683 IYSDIUVDKSHAEG-CYBMUJFWSA-N 315.377 1.257 0 40 DDAB C[C@@H]1COCCN1C(=O)NCc1ccccc1Cn1cccn1 44967306 LUXYIYFWXNJTMN-CQSZACIVSA-N 314.389 1.862 0 40 DDAB CCn1cnnc1CNC(=O)NCCO[C@@H]1CCCC[C@@H]1C 44955633 YDEUFRMSCYZSES-QWHCGFSZSA-N 309.414 1.693 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cccn1 44911022 ANJBHELFKMWQPO-SWLSCSKDSA-N 301.346 1.618 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)N1CCSCC1 44968545 JSBVTMKJJNRFDO-UHFFFAOYSA-N 306.435 1.940 0 40 DDAB O=C(CSc1nnc(-c2ccco2)o1)NC[C@H]1CCCO1 3291964 MINLGHPQJGSDCY-SECBINFHSA-N 309.347 1.717 0 40 DDAB CCN(CC)C[C@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 58391452 RQQQWYLFAWKGRP-ZDUSSCGKSA-N 301.394 1.727 0 40 DDAB COc1cc(F)c(S(=O)(=O)NCc2ccco2)cc1OC 27930933 QVQKZQKUMJXBLN-UHFFFAOYSA-N 315.322 1.914 0 40 DDAB CCn1c(N)c(C(=O)NCCOC)c2nc3ccccc3nc21 2225994 VQIDZVQQUJLHPX-UHFFFAOYSA-N 313.361 1.563 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 48138158 GGNMXUJFVIFNNA-UHFFFAOYSA-N 308.357 1.684 0 40 DDAB O=C(Cc1noc(CCc2cscn2)n1)Nc1ccccn1 69600385 OZJMPSXQQUUXPK-UHFFFAOYSA-N 315.358 1.888 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@@H]2CCN(C3CC3)C2)cs1 48251510 JONXPBZUTCMNKV-JTQLQIEISA-N 308.407 1.316 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@@H](C)c1nncn1C 48311292 NJDZGQGBNDUKIT-JTQLQIEISA-N 304.354 1.169 0 40 DDAB CC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12 3496982 HYHQPSAALYMOMA-UHFFFAOYSA-N 322.390 1.942 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3459786 AVJWYECOKDMMMV-INIZCTEOSA-N 303.362 1.368 0 40 DDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(C2CC2)CC1 62639972 SFXVANZXAXRHDZ-UHFFFAOYSA-N 310.401 1.721 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1CCC(C)CC1 8394957 JROGGKHYZHYOBY-UHFFFAOYSA-N 306.362 1.431 0 40 DDAB COc1cn(C)c(C(=O)Nc2nc3c(s2)CCC3)cc1=O 49550825 JHSOTIOVIGXNKS-UHFFFAOYSA-N 305.359 1.591 0 40 DDAB Cc1ccc(-c2cc(C(=O)O)c3c(=O)[nH]c(=O)n(C)c3n2)cc1 8427672 UFJYDUXXTRRZLA-UHFFFAOYSA-N 311.297 1.295 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1cccnc1 65591364 DOFWXKMTZOBAKI-UHFFFAOYSA-N 301.394 1.250 0 40 DDAB CS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2cccnc2)n1 5362078 SXXGNLFHPKYUAZ-UHFFFAOYSA-N 318.402 1.683 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc2c(c1)CCC2 14226350 FVRMRKKEEOXSIT-MRVPVSSYSA-N 303.391 1.995 0 40 DDAB Cc1nc(C(=O)N2CCCN(Cc3nccn3C)CC2)cs1 69878788 UFLVNFCNMURTTC-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB O=C(CSc1nccn1Cc1ccccc1)N1CCNC1=O 6589382 KWERAHUITZGQKM-UHFFFAOYSA-N 316.386 1.575 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1cn(C)c2ccccc12 6590661 GEKDILBKSJKDGN-UHFFFAOYSA-N 317.345 1.571 0 40 DDAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)N1CCCC1 18181535 NOOZMUOTZSVHBY-UHFFFAOYSA-N 316.405 1.459 0 40 DDAB CCO[C@@H](CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69973856 MLPORWJMUNABPC-IRXDYDNUSA-N 320.433 1.679 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)Cn1nnnc1-c1ccccn1 66738347 WVDKTFWYJZSOCR-HNNXBMFYSA-N 324.388 1.228 0 40 DDAB CCn1c(SCC(=O)N2CCN(C)CC2)nc2ccccc21 4939665 ANURHDORVPMGHO-UHFFFAOYSA-N 318.446 1.922 0 40 DDAB CCC(=O)Nc1nnc(SCCN2CCOCC2)s1 26416718 AQTOLIYBBICMCD-UHFFFAOYSA-N 302.425 1.311 0 40 DDAB Cc1ccccc1CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 81090660 ICMPYNSUWOMNAK-MRXNPFEDSA-N 316.401 1.434 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccccc2N(C)C)C1 92843682 YAFBDORMTJRARY-AWEZNQCLSA-N 311.451 1.266 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 83996784 DPLAKTJCHMEAET-CABCVRRESA-N 315.348 1.741 0 40 DDAB Cc1c(C)c(C)c(C(=O)OCC(=O)N2CCNC2=O)c(C)c1C 9458247 JIYBOPNIGPRJIH-UHFFFAOYSA-N 318.373 1.937 0 40 DDAB O=C(Cn1cnnn1)NCCCc1cccc(Br)c1 71888911 JEVYHIGVICUVFP-UHFFFAOYSA-N 324.182 1.185 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccncc3)CC2)cn1 71841293 ZYXZTDXNHAHPOF-CVEARBPZSA-N 311.389 1.267 0 40 DDAB O=C1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CCN1 71839494 OPDIQGVSQNVBQF-UHFFFAOYSA-N 316.279 1.433 0 40 DDAB CS(=O)(=O)c1ccc(OCCCN2CCC[C@@H](O)C2)cc1 71842037 LSROCIZVBDGYHN-CYBMUJFWSA-N 313.419 1.316 0 40 DDAB Cc1cccc(C(=O)NCC(=O)NCc2cnc(C)s2)c1 71886005 KEXKSYAQJSRWAA-UHFFFAOYSA-N 303.387 1.806 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)s1 71865404 PFPJYWKDBHYEJO-LLVKDONJSA-N 318.402 1.738 0 40 DDAB COc1ccc(C(=O)C(=O)NCCNC(=O)c2ccco2)cc1 71882484 VXEFKKIWIPUPEA-UHFFFAOYSA-N 316.313 1.017 0 40 DDAB CC[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[C@@H]1[S@@](=O)CC 83753451 WNEBAGXJNLCYJZ-UWPRPCKVSA-N 316.467 1.887 0 40 DDAB COc1ccnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 89979553 ZKLIMRHXSYGJGF-NSHDSACASA-N 303.362 1.820 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@@H]1N(C)C 89948325 HCUZPXUVYSYGMG-GLQYFDAESA-N 306.454 1.939 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc(F)c1 72282364 JAGNBWIXAAVCDI-SWLSCSKDSA-N 312.410 1.824 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)n1 72235625 LHJSWTBWTJDXLE-AWEZNQCLSA-N 319.409 1.071 0 40 DDAB Cc1nc([C@@H]2CCCN2Cc2cc(=O)n3ccsc3n2)no1 72279295 XGWBJBQDNRWGIB-NSHDSACASA-N 317.374 1.785 0 40 DDAB NC(=O)[C@@H](CNc1ncnc2[nH]ncc12)Cc1ccc(F)cc1 75582975 GHVHQBXYDWNDLK-SNVBAGLBSA-N 314.324 1.248 0 40 DDAB Cc1cccc(NC(=O)CSCC(=O)NC[C@H](O)C2CC2)c1 84211020 AOLSUYVGHYUUCR-AWEZNQCLSA-N 322.430 1.554 0 40 DDAB CN1C[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1=O 75723767 SDDHDSNMWPLVBE-NVXWUHKLSA-N 309.369 1.766 0 40 DDAB CCc1nncn1CCNC(=O)N[C@H](C)Cc1cccc(F)c1 76087080 DNXIRBUESKGHNU-GFCCVEGCSA-N 319.384 1.910 0 40 DDAB O=C1NC(=O)[C@@H](CC(=O)N2CC=C(c3ccc(F)cc3)CC2)N1 97597429 FKZTYZFABQRCJX-CYBMUJFWSA-N 317.320 1.040 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COc1ccccc1 84556772 XPQODPNAHKJVTF-YUELXQCFSA-N 301.342 1.378 0 40 DDAB COP(=O)(OC)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 97757462 RTXDKVFNAOMDFV-SNVBAGLBSA-N 317.234 1.809 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)NCc1cccnc1)C2 78481356 WPUHHNDLCDXBNS-CQSZACIVSA-N 313.357 1.893 0 40 DDAB Cn1cc(NC(=O)C(=O)NCC2C3CC4CC(C3)CC2C4)cn1 95449091 BJDGCBFXQKIJGV-UHFFFAOYSA-N 316.405 1.547 0 40 DDAB COc1ccc(Cc2noc(C[C@H]3CCS(=O)(=O)C3)n2)cc1 78774438 IJGNXXVEXDHDQF-GFCCVEGCSA-N 322.386 1.646 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)c2ccc(OCC(N)=O)cc2)no1 78875257 FIGDOWUIXGKWHC-JTQLQIEISA-N 303.318 1.338 0 40 DDAB O=S1(=O)CCC(O)(CNc2nc3ccccc3s2)CC1 98013107 IWRQWHFUDWGYHL-UHFFFAOYSA-N 312.416 1.648 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cncn1 78881332 NNQVSHPCTQUQLD-MWLCHTKSSA-N 302.338 1.463 0 40 DDAB COc1ccnc(NNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)n1 73545959 ICRMYEXSBXZTEX-GHMZBOCLSA-N 302.309 1.871 0 40 DDAB COC(=O)c1ccsc1NC(=O)C(=O)NCc1cc(C)on1 95962585 BGWSFHLSSRULBL-UHFFFAOYSA-N 323.330 1.086 0 40 DDAB O=C(CSc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 79018912 PSBVGMODCXITMS-OAHLLOKOSA-N 320.458 1.959 0 40 DDAB O=C(NCc1cccc(CO)c1)c1cccc(-n2cnnn2)c1 75110148 ARHDFWMHJNFPMY-UHFFFAOYSA-N 309.329 1.085 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(OC)cc2)C1=O 408549679 WSBCIXAISHMPES-HJSZHNSDSA-N 316.313 1.317 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306135236 OLKPVGUADBILIS-FRRDWIJNSA-N 320.364 1.873 0 40 DDAB CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc(C)n2C)C(=O)O)C1 515311228 CSNLBEBTDFBRHJ-SCRDCRAPSA-N 308.378 1.722 0 40 DDAB CC(C)(C)n1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)cn1 79051685 HWPBCZRJBGOCIF-UHFFFAOYSA-N 315.439 1.581 0 40 DDAB CCc1nsc(N2CCN(Cc3cc(=O)c(O)co3)CC2)n1 76062549 MWGAZPXMCFPNTK-UHFFFAOYSA-N 322.390 1.082 0 40 DDAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 33558939 WXEGGTAHACASAG-UXBLZVDNSA-N 321.310 1.594 0 40 DDAB C[C@]12CC[C@H](O)C[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@@H](O)C[C@@]3(CO)CC[C@@H]12 123377368 OCEUSYZMECFUAO-XLMVUGTOSA-N 322.445 1.902 0 40 DDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2ccc(Cl)nn2)C1 32124287 LOZAKIWYZONRSD-MNOVXSKESA-N 302.765 1.915 0 40 DDAB biogenic Cc1cc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)no1 78554213 MMKFPCKRGJRHHX-UHFFFAOYSA-N 313.235 1.655 0 40 DDAB CNC(=O)[C@]1(C)CCCN1Cc1ccnc(N2CCCC2)n1 72348337 BUPLXLTUULVSHC-INIZCTEOSA-N 303.410 1.177 0 40 DDAB O=C(O)CN(C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79391608 IYAVJUCAGSFYMX-OAHLLOKOSA-N 318.373 1.947 0 40 DDAB O=C(Cn1cnnn1)NCCCO[C@H]1CCCc2ccccc21 70874378 SWCHKPIDNAKHLE-HNNXBMFYSA-N 315.377 1.274 0 40 DDAB CC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 72358302 UVMBXHJJNQSKOV-AWEZNQCLSA-N 317.389 1.280 0 40 DDAB Cc1nc(CCN2C(=O)c3ccccc3C2=O)ncc1C(=O)O 223178732 BRYYJFOZEKECGQ-UHFFFAOYSA-N 311.297 1.322 0 40 DDAB O=C(CN1CCOCC1)N1CCC[C@@H]1COc1ccccc1 195554166 XLSSINVGLXQQAK-OAHLLOKOSA-N 304.390 1.389 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)CSC 75157297 NILXJOJHYIFISV-GFCCVEGCSA-N 323.411 1.227 0 40 DDAB CC1(C)CN(C(=O)c2cc(-n3cccn3)ccn2)CC[S@@]1=O 88205639 WRJQNMTYBBJZSP-JOCHJYFZSA-N 318.402 1.250 0 40 DDAB CCc1ccc([C@H]2COCCN2Cc2cnc(C(=O)O)cn2)o1 530163388 XFVHPICXIXLDQE-CQSZACIVSA-N 317.345 1.904 0 40 DDAB Cc1ccc(NC[C@H]2CCN(CC(=O)Nc3ccon3)C2)nc1 97200790 IASDJWSIHGUOMQ-CYBMUJFWSA-N 315.377 1.751 0 40 DDAB COCCN1CC[C@@]2(CCCN(Cc3cccnc3)C2)C1=O 96223973 RDJYFRJRSXHBKL-QGZVFWFLSA-N 303.406 1.543 0 40 DDAB O=C(c1ccccn1)N1CCC2(CC1)CN(c1cccnc1)C2=O 96202955 KVJRRXKXJNYLDR-UHFFFAOYSA-N 322.368 1.746 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96161717 IFFCQRWDOMWIBZ-OAGGEKHMSA-N 318.392 1.752 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)NCCn2cnnc2C)s1 96445368 KYLWIOVQJPTVPX-UHFFFAOYSA-N 316.333 1.988 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)nn1 96414357 MJMMDEGATSQFNB-LBPRGKRZSA-N 314.389 1.912 0 40 DDAB O=C(C1CC1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076551 OHXCKIAPFWGCCZ-KRWDZBQOSA-N 316.405 1.332 0 40 DDAB CN(Cc1ccco1)Cc1cnc2n1CCN(C(N)=O)CC2 96197097 QMELYFKOUHMJIH-UHFFFAOYSA-N 303.366 1.045 0 40 DDAB CCOCC(=O)N1CC[C@@]2(CCN2Cc2csc(C)n2)C1 96228681 KNGGMWOCUHJHJR-OAHLLOKOSA-N 309.435 1.665 0 40 DDAB COc1ncc(Cl)c(N2CC[C@H](Cc3cnn(C)c3)C2)n1 95426299 WGHLYYXQQVUWNM-SNVBAGLBSA-N 307.785 1.941 0 40 DDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C1CC=CC1 96041499 YMRQCJZEHWWNJC-ARFHVFGLSA-N 308.422 1.289 0 40 DDAB Cn1nc(C(=O)Nc2nc(C(F)(F)F)n[nH]2)c2ccccc21 95476238 DLCHTBQLJNMHSI-UHFFFAOYSA-N 310.239 1.963 0 40 DDAB CC(=O)N1CC[C@]2(CCC[C@@H](CNC(=O)c3ccncc3)O2)C1 96207825 JZEMBRSIYCYSMP-DOTOQJQBSA-N 317.389 1.372 0 40 DDAB O=C(C[C@H]1OC[C@H]2CN(C3CCC3)CC[C@H]21)N1CCCCO1 96218017 FVFJJFBQOZDFGK-FVQBIDKESA-N 308.422 1.820 0 40 DDAB COCC(=O)NCC[C@@H]1CN(C2CCC2)Cc2ccnn2C1 247823114 ITPSHWJAFURRFF-CYBMUJFWSA-N 306.410 1.020 0 40 DDAB Cc1ccc(N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)nn1 247904726 JLAFUMZSSPPQNO-CQSZACIVSA-N 312.373 1.997 0 40 DDAB COc1ccccc1CN(C)C(=O)[C@@]1(C)CN(C(C)=O)CCO1 257208912 BOAYGJJWDHFZFK-QGZVFWFLSA-N 320.389 1.291 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)N1C[C@H](O)[C@]2(CCCO2)C1 257334918 YHVTYJGMULXKSB-WMZOPIPTSA-N 314.385 1.853 0 40 DDAB COC(C)(C)C(=O)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257279397 OGJITMUINZGMOI-FRRDWIJNSA-N 304.394 1.551 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1 257234867 GVKNJFHCJWLLBA-CQSZACIVSA-N 310.419 1.621 0 40 DDAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ccn1 257301936 SAQPLQKULUFREE-GFCCVEGCSA-N 321.406 1.383 0 40 DDAB CC(=O)N1CCC(c2cnc(N3CCC[C@@H](O)C3)cn2)CC1 257261825 LIYHCALBXXMEBS-CQSZACIVSA-N 304.394 1.164 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257246648 IVCCMTNOGKFNCS-ZDUSSCGKSA-N 305.403 1.933 0 40 DDAB C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCCCCF)C1=O 252495429 OQEMLLLOINJAGW-INIZCTEOSA-N 321.352 1.692 0 40 DDAB Cc1nc[nH]c1CN1CCC[C@@H]1c1nccc(CN(C)C)n1 257273678 NHQXJJBNFVRNJW-OAHLLOKOSA-N 300.410 1.907 0 40 DDAB Cn1cc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 257326266 WWNUZCUBUGWSFA-BZUAXINKSA-N 315.373 1.511 0 40 DDAB C[C@]12CC(=O)[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 257345774 IQWPIVUYONOUOY-KQQSFPIESA-N 322.445 1.901 0 40 DDAB Cc1ncc(CN2CC[C@@H](c3ncc(CN(C)C)[nH]3)C2)cn1 257306112 SSYNGEVSXROKIT-CQSZACIVSA-N 300.410 1.559 0 40 DDAB O=S1(=O)CC[C@@H](S(=O)(=O)Nc2ccccc2Cl)C1 575419560 QBRFYYDNZGBQPI-MRVPVSSYSA-N 309.796 1.269 0 40 DDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cc[nH]n3)C2)c1 585269195 LCWPYAWPMZEAJI-QGZVFWFLSA-N 317.389 1.360 0 40 DDAB O=C(O)C1(C(=O)NC2CCS(=O)(=O)CC2)CCCCCC1 663083247 KUMSCFOGMFNTNE-UHFFFAOYSA-N 317.407 1.105 0 40 DDAB O=C(c1ccc(O)nc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 585147286 NPDXWTDRJDNHPY-GFCCVEGCSA-N 318.308 1.400 0 40 DDAB O=C(O)CCC(=O)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 585274619 LNRTZDGOUHHDKL-OCCSQVGLSA-N 309.337 1.442 0 40 DDAB COc1ccccc1[C@H](NC(=O)c1cnccn1)c1nccn1C 12114902 UHKYOLCUERXXDS-HNNXBMFYSA-N 323.356 1.738 0 40 DDAB CCCNC(=O)Cn1nc(-c2cc3c(s2)CCC3)oc1=O 12154247 ZWEODSZHYGHMCB-UHFFFAOYSA-N 307.375 1.580 0 40 DDAB CCCCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 13985577 YCTHACMEBIVVQB-UHFFFAOYSA-N 315.420 1.337 0 40 DDAB O=S(=O)(C[C@H]1CCCO1)c1nc(CCC2CCCC2)n[nH]1 108592808 SPAKNKPHNBWUQY-GFCCVEGCSA-N 313.423 1.880 0 40 DDAB Cc1nnsc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1 225454221 OIIXANQXVSIOJL-SNVBAGLBSA-N 305.363 1.320 0 40 DDAB CS(=O)(=O)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888870076 IWRDPQFQIYHBIX-GXFFZTMASA-N 315.370 1.056 0 40 DDAB COc1ccc([C@H]2SCC(=O)N2CCN2CCOCC2)cc1 19898642 HMHHOWHHSNKQPN-MRXNPFEDSA-N 322.430 1.601 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)n2cncn2)c1 29757575 XZHMZKMJWZCMQE-GHMZBOCLSA-N 304.350 1.734 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1cnccn1 1776009520 GWYDVMHGLBQYNQ-UHFFFAOYSA-N 312.358 1.100 0 40 DDAB COCC[C@](C)(O)CNC(=O)Cc1c(F)cccc1Cl 174936700 MGDMPPAMPWBKKT-AWEZNQCLSA-N 303.761 1.925 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1565552859 ZGRILWXHQWUVSR-NHAGDIPZSA-N 306.406 1.130 0 40 DDAB COc1nc(I)ccc1OCC(=O)O 1772717948 ARESGSIBOLKABY-UHFFFAOYSA-N 309.059 1.158 0 40 DDAB CCCCN1C(=O)N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C1=O 12419995 TYDDUSOJKKOTPJ-GFCCVEGCSA-N 323.315 1.759 0 40 DDAB Cn1nnc2c(=O)n(Cc3ccc(Cl)cc3Cl)cnc21 13531259 WOVJPCIRXNGXCX-UHFFFAOYSA-N 310.144 1.880 0 40 DDAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(Cc2ccccn2)C1 2055772422 HLGQNRZDBTXWSN-KRWDZBQOSA-N 313.405 1.358 0 40 DDAB Cc1noc(C)c1C(=O)N[C@H]1CCc2onc(CN(C)C)c2C1 2055730178 IFAREYVZGSFEKF-NSHDSACASA-N 318.377 1.628 0 40 DDAB COc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)C)C2)c1 2055754804 WRNWSRVMXRYFCU-RHSMWYFYSA-N 304.390 1.232 0 40 DDAB Cn1nc(C(=O)OCc2cc(-c3cccs3)on2)ccc1=O 36662611 CSZQHNSEKHTDTC-UHFFFAOYSA-N 317.326 1.854 0 40 DDAB Cc1cc(OC2CN(C(=O)c3ccsc3)C2)n2ncnc2n1 618256133 OFGIDIPFCRYMLL-UHFFFAOYSA-N 315.358 1.398 0 40 DDAB C[C@](O)(CNS(=O)(=O)CCc1ccccc1)Cc1ccco1 206617741 BVRXSEFSALIYRN-MRXNPFEDSA-N 323.414 1.735 0 40 DDAB O=C(NCCNC(=O)[C@@H]1Cc2ccccc2S1)c1ccco1 40490431 JEORJALTOXAGLX-AWEZNQCLSA-N 316.382 1.843 0 40 DDAB Cc1ncc(CN2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)s1 89736057 QDNBKJGYIZUGSY-CYBMUJFWSA-N 320.466 1.595 0 40 DDAB CC(C)(CNC(=O)Cn1cncn1)N1CCc2ccccc2C1 45526195 BJBGYHNFWAIGNT-UHFFFAOYSA-N 313.405 1.231 0 40 DDAB Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCOCC2)n1 36618632 KXAZKYGJZWRSAU-UHFFFAOYSA-N 309.320 1.960 0 40 DDAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 16222787 RPAYIUGLCGCEDI-NWDGAFQWSA-N 313.444 1.779 0 40 DDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2ccccc2F)C1=O 28913728 SCZIITUFGBXSJZ-WBMJQRKESA-N 318.304 1.919 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cccnc2)c1 40513548 RRMFTQFYJJKVQZ-AWEZNQCLSA-N 317.345 1.954 0 40 DDAB COc1ccc(OC)c(-c2c[n+]([O-])c3c([n+]2[O-])CCCC3)c1 2205340 HGRJLUYPPNPLAZ-UHFFFAOYSA-N 302.330 1.516 0 40 DDAB COc1ccccc1-c1nc(CC(=O)NCCC(=O)O)cs1 20745595 MWOJIHPNQGNJFS-UHFFFAOYSA-N 320.370 1.952 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1C 6953129 DWJAWCXTFSTYNO-CQSZACIVSA-N 303.406 1.842 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 57355432 RQRHUDCTZQXQIK-GOEBONIOSA-N 302.374 1.455 0 40 DDAB COc1ccc(C(N)=O)cc1S(=O)(=O)NC1CCCCC1 8475733 AWAJZFXSEHYVKM-UHFFFAOYSA-N 312.391 1.405 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CC(N)=O)c1C 69538984 ZLYUEQGPTITBLB-NSHDSACASA-N 321.377 1.288 0 40 DDAB COc1ccc([C@@H](NC(=O)Cn2cccnc2=O)C2CC2)cc1 33016277 RNLPLYRNPLYBRT-INIZCTEOSA-N 313.357 1.519 0 40 DDAB CCCNC(=O)c1snc(C(=O)NCc2ccccc2)c1N 33171818 GMALUYYYQWSSFK-UHFFFAOYSA-N 318.402 1.795 0 40 DDAB Cc1ccc(C(C)(C)C(=O)NCC(=O)Nc2cn[nH]c2)cc1 69557708 DFJIALFLXTXGST-UHFFFAOYSA-N 300.362 1.751 0 40 DDAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1 53492942 WKMQNLRMRWEQRO-VIFPVBQESA-N 311.332 1.933 0 40 DDAB CCn1cc(NS(=O)(=O)c2cc(C)ccc2C)c(C(N)=O)n1 28235455 MHKYMVLSPHZXHO-UHFFFAOYSA-N 322.390 1.420 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)NCCCN1CCOCC1 22688136 LBRPTXNPILNMPO-UHFFFAOYSA-N 315.417 1.939 0 40 DDAB C[C@@H](NC(=O)c1ccc(NC2CC2)nc1)C(=O)N1CCCCC1 69599938 VQVKSSPXSDKRML-GFCCVEGCSA-N 316.405 1.787 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(O)nn2)c1 22764709 VQXJJDZVTJIMDG-VIFPVBQESA-N 303.318 1.690 0 40 DDAB COC(=O)C12[C@@H]3C4C5[C@H]1[C@H]1C[C@@H]1[C@H]5C2(C(=O)OC)[C@H]4[C@@H]1C[C@H]31 104290569 RPBCQCIBCIGBRS-DUFXOZDYSA-N 300.354 1.343 0 40 DDAB CS(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1 12197375 XUWPCOCGOJNTGZ-LBPRGKRZSA-N 312.391 1.101 0 40 DDAB CC1CCN(CCNC(=O)N2CCN3CCCC[C@@H]3C2)CC1 105127351 BWLSBASASRFOBW-MRXNPFEDSA-N 308.470 1.598 0 40 DDAB CCOc1ccc(C(=O)NCCc2cnn(C)c2)cc1OC 42716902 SNXXTJAYOUMJIX-UHFFFAOYSA-N 303.362 1.800 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCCC1 42986522 KXUYHOSCAGNUPT-UHFFFAOYSA-N 314.382 1.377 0 40 DDAB Cc1ccc(C(=O)CCC(=O)NCc2nnc3n2CCC3)cc1 54904063 AIZMPKJHULSEIQ-UHFFFAOYSA-N 312.373 1.812 0 40 DDAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(O)c(OC)c1 21186817 QDBHEGWQTXTDAT-CYBMUJFWSA-N 322.386 1.709 0 40 DDAB Cc1ccccc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24689784 UMMKGQDWEPZKMA-CYBMUJFWSA-N 310.419 1.539 0 40 DDAB COc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 24746743 ICOJEYCUZWOFDH-UHFFFAOYSA-N 316.361 1.419 0 40 DDAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 57136901 MCJGLAKBYQBTTL-INIZCTEOSA-N 315.417 1.375 0 40 DDAB CCN(CC)C(=O)CN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 44889342 IKMWJGVBCKCBMH-CYBMUJFWSA-N 322.405 1.421 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H](C)Sc2ccc(O)cc2)CC1 58246340 VQNIYVJSHZMBBM-NSHDSACASA-N 308.403 1.564 0 40 DDAB CC1(C)COCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 58290871 ZSOUQSIJYGMYQZ-VMPITWQZSA-N 318.373 1.201 0 40 DDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 44941476 DXWQEQPFKCMJAF-CQSZACIVSA-N 324.384 1.890 0 40 DDAB Cc1csc(N2CCN(c3ncnc4nc[nH]c34)CC2)n1 44975463 UDTBFHJABKCBCG-UHFFFAOYSA-N 301.379 1.444 0 40 DDAB N[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 36297528 UPLRYTYNTOQRNG-ZDUSSCGKSA-N 312.341 1.943 0 40 DDAB COc1cc(OC)cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 58403217 BIOHRIZMSLPTGM-CJNGLKHVSA-N 320.389 1.297 0 40 DDAB NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]2CCCO2)CC1 58421279 NXXNOBPCQISFCJ-OAHLLOKOSA-N 317.389 1.506 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 28197494 ZWUVKVSWQUZIPL-UHFFFAOYSA-N 305.378 1.667 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NCCCOc2ccccc2F)C1 45259925 VYLSLJAVOSFMEP-NSHDSACASA-N 309.341 1.111 0 40 DDAB Cc1nc(CNC(=O)NC[C@H](O)COc2ccccc2)cs1 45343339 VKBKZARDRRKSDF-ZDUSSCGKSA-N 321.402 1.691 0 40 DDAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC1CC1)C2=O 12601594 RHRJVOAYDSWETR-QFYYESIMSA-N 307.394 1.402 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 62119718 LJLHDJNRXQJAPB-LURJTMIESA-N 309.265 1.199 0 40 DDAB COC(=O)CC[C@H]1NC(=S)N(Cc2ccc(F)cc2)C1=O 12769666 VBZWDOXGNJRATB-LLVKDONJSA-N 310.350 1.364 0 40 DDAB C[C@@H](CNC(=O)NC[C@@H]1CCCO1)N1CCc2sccc2C1 48263086 WZJODQHTXHCTNJ-JSGCOSHPSA-N 323.462 1.973 0 40 DDAB O=C(CNC(=O)NCc1ccccc1)NCCc1cccs1 12906482 LUNARHFLMUNNAC-UHFFFAOYSA-N 317.414 1.906 0 40 DDAB CCCOC(=O)[C@H](C)NC1(CNC(=O)OC(C)(C)C)COC1 306145656 LZXRDWXJSROMBJ-NSHDSACASA-N 316.398 1.211 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)[C@H]2CCCO2)cc1OC 13183647 AGWCQUPBPBZIFK-DGCLKSJQSA-N 323.345 1.515 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CCO1 25836737 SFENILZEBUJXJN-ZDUSSCGKSA-N 317.389 1.473 0 40 DDAB COCCCCNC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 49361854 ZYWNLJPVXVLVPL-LLVKDONJSA-N 321.377 1.804 0 40 DDAB Cc1cc(F)cc(NCC(=O)N2CCC3(CC2)OCCO3)c1 91550945 PMBOHJNEPZVPPW-UHFFFAOYSA-N 308.353 1.912 0 40 DDAB CCn1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4314445 PVIJIQJDWSHVNV-UHFFFAOYSA-N 317.393 1.442 0 40 DDAB Cc1noc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 65531877 TUQVHPRRVUQOPP-ZYHUDNBSSA-N 314.345 1.608 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)CCc1nc(C(C)C)no1)CC2 65520791 FTKIOSYCCHFBDL-LLVKDONJSA-N 318.381 1.157 0 40 DDAB C[C@@H](C(=O)NCc1ccco1)N1CCC[C@H](Cn2cncn2)C1 69950726 HOJWIKUGQYYXDS-KBPBESRZSA-N 317.393 1.288 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C 4924169 TUVHZGOBKMKEQT-SSDOTTSWSA-N 309.351 1.011 0 40 DDAB CCN(CC)C[C@@H]1CO[C@@H]2CN(Cc3cc(C)nn3C)C[C@@H]21 306127330 FWAUPMXDEXPWRE-DJIMGWMZSA-N 306.454 1.517 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7308597 SCDFXEKWUSXSGL-UHFFFAOYSA-N 308.403 1.028 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 92569840 NPZBXNMNGBZICP-WDEREUQCSA-N 316.448 1.392 0 40 DDAB Cc1nn(C)c(Cl)c1CC(=O)OC[C@@H]1CCCN1C(N)=O 96006867 ZEJNXAIHQUVTFC-VIFPVBQESA-N 314.773 1.011 0 40 DDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CCCO1 9386379 ZEXQATVNCXSIQW-ZBEGNZNMSA-N 302.330 1.395 0 40 DDAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ncccn2n1 71795800 TZYDLTMCCLBQOZ-UHFFFAOYSA-N 324.300 1.061 0 40 DDAB O=C(NCc1nnc2n1CCC2)N(Cc1ccncc1)C1CC1 89884945 NWXCRKRUWDJAME-UHFFFAOYSA-N 312.377 1.494 0 40 DDAB NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 9575643 JATYJAZULBLDTL-UHFFFAOYSA-N 311.341 1.083 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1ccc(Br)c(F)c1 71843988 WIUDBLPJYYXCQX-ZCFIWIBFSA-N 318.146 1.261 0 40 DDAB CCc1nnc2n1CCN(C(=O)CCOc1ccccc1C)C2 71864834 HHXWVWGRHKFXTQ-UHFFFAOYSA-N 314.389 1.960 0 40 DDAB CNc1cc(N2CCC[C@H]2CNc2ncnc3[nH]ccc23)ncn1 71859446 KIGQPCQWHIJAGQ-NSHDSACASA-N 324.392 1.871 0 40 DDAB CCCCCS(=O)(=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1 89897374 SLLRQEONJOYYSN-HUUCEWRRSA-N 318.483 1.428 0 40 DDAB Cc1ncsc1C(=O)NC[C@@H](O)COCc1ccccc1 71856853 GYCCCJKZHVISGD-CYBMUJFWSA-N 306.387 1.759 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCn1c(=O)oc2ccccc21 89938004 MWJDWUMCXIJGFK-GFCCVEGCSA-N 303.362 1.147 0 40 DDAB COc1cccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 72268913 UNSBTCKUIDTYHG-HOTGVXAUSA-N 304.390 1.366 0 40 DDAB O=C(Cn1cnnn1)N(CC(F)F)c1cccc(Cl)c1 84367814 RLTFSUDGIVMJCM-UHFFFAOYSA-N 301.684 1.625 0 40 DDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(C)o1 78898686 ILKVGJHUMNEZLK-OCCSQVGLSA-N 300.424 1.738 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN(CCc3ccccn3)C2)C1=O 84597372 MGSGNGBQUOTCNA-INIZCTEOSA-N 302.378 1.029 0 40 DDAB CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnn(C)c2)c1 95421712 HWAKGGONBLQIDK-NWDGAFQWSA-N 322.434 1.740 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](CO)CC(C)C)cc1N(C)C 95432901 SVGFRBLNRNZAFD-CYBMUJFWSA-N 314.451 1.746 0 40 DDAB O=C(Cc1ccc2c(c1)OCC2)NCc1nnc2ccccn12 95475145 QDVIFMPWEKHBGZ-UHFFFAOYSA-N 308.341 1.523 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@@](=O)c2cccc(C)c2)C1 95417825 MQIUUDYNLIUBNA-FPTDNZKUSA-N 322.430 1.230 0 40 DDAB CCOC[C@@H](O)CN1CCCN(C(=O)c2cccc(C)c2)CC1 84801182 JANDNXAYKDXMSD-KRWDZBQOSA-N 320.433 1.540 0 40 DDAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1ccccn1 79464541 JRZXPOCRNWGOKP-UHFFFAOYSA-N 320.312 1.078 0 40 DDAB CC[C@@H](N[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 95969099 CZTJTLQJGCBVLH-CZUORRHYSA-N 308.397 1.984 0 40 DDAB FC(F)c1nnc2ccc(Sc3nc4ncccn4n3)nn12 95983325 OFHIOWFQIBLOSW-UHFFFAOYSA-N 320.288 1.651 0 40 DDAB CC(C)(CNC(=O)[C@]1(C)CC1(Cl)Cl)S(C)(=O)=O 95963620 QPUHIAVDELXCFY-VIFPVBQESA-N 302.223 1.510 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 89289770 ABEZXQYKSFRXAK-JTQLQIEISA-N 305.338 1.186 0 40 DDAB COc1ccc(Br)c(CC(=O)Nc2nnc[nH]2)c1 89432597 DOZGXZOTSZTYEM-UHFFFAOYSA-N 311.139 1.757 0 40 DDAB CCCc1nc(CN2CCC(N3CCN(C)C3=O)CC2)no1 75131565 FOEJUXGAIOUUKJ-UHFFFAOYSA-N 307.398 1.354 0 40 DDAB Cc1cc(=O)oc2ccn(C[C@H](O)c3cccc(O)c3)c(=O)c12 1547212331 FBKDRCLIDOESDQ-ZDUSSCGKSA-N 313.309 1.702 0 40 DDAB biogenic C[S@](=O)c1nncn1Cc1ccc2c(c1)OC(F)(F)O2 505506500 METRIKKWBBVIDH-FQEVSTJZSA-N 301.274 1.385 0 40 DDAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(N)=O)cc1 408709660 DVUFOFSPYSEQGQ-UHFFFAOYSA-N 311.341 1.349 0 40 DDAB CC(C)OCc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 72264804 NFVNEKFVXOCILM-UHFFFAOYSA-N 312.435 1.548 0 40 DDAB NCCNC(=O)Nc1ccc2nccnc2c1Br 38599414 DGWNPILVHZDPMZ-UHFFFAOYSA-N 310.155 1.473 0 40 DDAB in-vitro COCCS(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 77373608 MAKNVPZORXNTAO-ZDUSSCGKSA-N 309.391 1.676 0 40 DDAB CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)Cc1ccccc1 74760096 CAFNKTHINKOAQG-JYJNAYRXSA-N 306.406 1.847 0 40 DDAB Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(F)cccc21 40788371 AZDIZLPHMIUZSN-UHFFFAOYSA-N 303.337 1.655 0 40 DDAB CC(C)(C)N1C[C@H](Nc2nnnn2-c2ccccc2)CC1=O 80674482 UYEIVOYDIGPUGA-LLVKDONJSA-N 300.366 1.474 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1nncs1)O2 41547298 VSYGIZJORVONSM-ZDUSSCGKSA-N 304.331 1.575 0 40 DDAB CN(C)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 138908588 PJRBMUBCJPSEJR-NWDGAFQWSA-N 311.432 1.406 0 40 DDAB Cn1ccc(C2CCN(C(=O)[C@H]3NCC34CCCC4)CC2)n1 1579971030 IWLAHTKNBSNTOX-OAHLLOKOSA-N 302.422 1.658 0 40 DDAB CCC(CC)C(=O)N1C[C@@H]2Oc3ncccc3C(=O)N(C)[C@@H]2C1 514288756 BIOWPLBQDWQGHJ-KGLIPLIRSA-N 317.389 1.562 0 40 DDAB biogenic,in-vitro Cc1nn(C)c2sc(C(=O)NC[C@@H](O)COCC3CC3)cc12 96450035 IEUSHTDQIGQUKQ-LLVKDONJSA-N 323.418 1.461 0 40 DDAB CCn1ncc2c1[C@H](COC)CN(C(=O)C1CCOCC1)C2 96198338 VGVHQNRNRVJKBU-AWEZNQCLSA-N 307.394 1.402 0 40 DDAB CC(C)(C)c1ccccc1S(=O)(=O)Nc1cnn(CCO)c1 96426094 LIYBENQDMLQIAN-UHFFFAOYSA-N 323.418 1.974 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)C(C)(C)c2cccc(F)c2)cn1 96450405 AWVXGXIGJUJLAO-KRWDZBQOSA-N 319.380 1.861 0 40 DDAB CC1=C(C)[C@@H](NCC(N)=O)N(CCc2ccc(Cl)cc2)C1=O 96501759 RHXRIKZAYRXENH-HNNXBMFYSA-N 321.808 1.462 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12)N1CCCC1 96057206 SHBYNRZCFVEZHV-ZACQAIPSSA-N 318.417 1.987 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1c1nnc(-c2ccccn2)s1 97104406 KNOMEOMRIIQCOX-GFCCVEGCSA-N 315.402 1.848 0 40 DDAB CC1(C)CN(C(=O)NC[C@@]2(C)CCC(=O)N2)[C@@H]1c1cccnc1 333599057 CKJDIUWIGRKQHS-RHSMWYFYSA-N 316.405 1.843 0 40 DDAB CCn1nc(C)cc1C(=O)N1CC2(C1)OCC[C@H]2CCOC 247857739 YKECNSLVHXURDX-CYBMUJFWSA-N 307.394 1.479 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2C(=O)CN2CCCC2=O)ccn1 257201640 AIKQEVOIFMUWKA-AWEZNQCLSA-N 316.405 1.434 0 40 DDAB Nc1cnc(C[C@H]2CCCN(C(=O)c3ccncn3)CC2)cn1 257203546 AQNULIDFTUSZNE-LBPRGKRZSA-N 312.377 1.334 0 40 DDAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)n1 257310860 UGYLPTTXTSTAIR-CQSZACIVSA-N 301.394 1.709 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257213695 CISBHLOKJJMNNH-JTQLQIEISA-N 304.375 1.967 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)/C=C/c3ccccc3)CC[C@@H]2N1 257270631 MUZYNEMUVVDNKM-KXLSMFKISA-N 300.358 1.206 0 40 DDAB c1cc2c(C[C@@H]3COCCN(Cc4c[nH]cn4)C3)nccn2c1 257300231 RTPALFAVXAQRAI-AWEZNQCLSA-N 311.389 1.749 0 40 DDAB CN1CCN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1c1ccccc1 257306420 SUEYMBFPKSMXBT-CQSZACIVSA-N 306.391 1.087 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ccnnc2)C1 257272538 NCTYITCOJAHKAI-LBPRGKRZSA-N 312.377 1.403 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@H](c2ccccc2)C1 368820679 CHZMIUKBQOYNIY-ZFWWWQNUSA-N 315.377 1.450 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@H](OCCO)c1ccsc1 575621666 QOTLUPUCXHZISN-LBPRGKRZSA-N 310.375 1.833 0 40 DDAB Cc1cccc(C[C@@]2(CO)CN(c3ccnc(C)n3)CCO2)c1 585276373 NMKUXCMFDYEEJD-SFHVURJKSA-N 313.401 1.904 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cscn2)CC1 43611497 RJAJXTGZTZYTHO-OAHLLOKOSA-N 316.430 1.487 0 40 DDAB Cc1csc(=O)n1CCOC(=O)Cc1n[nH]c2ccccc12 48332493 KZPKMWZFMMMSSJ-UHFFFAOYSA-N 317.370 1.880 0 40 DDAB Cc1ccnc2nc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)nn12 46492632 RYJITNJCVYPCMK-RYUDHWBXSA-N 301.350 1.216 0 40 DDAB O=C(Nc1cc(Br)c[nH]c1=O)C1CCOCC1 67937244 SWSDWUMZCHKHLD-UHFFFAOYSA-N 301.140 1.503 0 40 DDAB O[C@H](COCc1cccs1)Cn1nnc(-c2cccnc2)n1 69596722 XQNQSMACZCJQAP-LBPRGKRZSA-N 317.374 1.374 0 40 DDAB Cn1cnnc1CCNC(=O)c1cnn(Cc2ccccc2)c1 75137422 AKYNADHRDGNBGE-UHFFFAOYSA-N 310.361 1.032 0 40 DDAB COc1cc(OC)nc(N2CCN(C(=O)c3ccco3)CC2)n1 269474709 CWMXFMDWPXFBHK-UHFFFAOYSA-N 318.333 1.049 0 40 DDAB Cc1nn(C)cc1CCC(=O)NC1(C(=O)O)CCC(C)CC1 97036121 ZJVYFUYPDOCEFQ-UHFFFAOYSA-N 307.394 1.811 0 40 DDAB COc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1Cl 36110510 ULNVEUKEDTVZHQ-UHFFFAOYSA-N 319.810 1.932 0 40 DDAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCCC1 5220058 QDEHNXZEVXTENL-SNVBAGLBSA-N 321.381 1.904 0 40 DDAB Cc1csc2nc(Cn3cnc4ccccc4c3=O)cc(=O)n12 11204047 SLWKIULIACKXAN-UHFFFAOYSA-N 324.365 1.823 0 40 DDAB CCOc1ccc(CC(=O)NCCn2ncccc2=O)cc1 11856289 NWOOCOPDQVILCL-UHFFFAOYSA-N 301.346 1.001 0 40 DDAB COC(=O)c1ccccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 12541270 SUKNSIXBMOCKCL-TXEJJXNPSA-N 307.346 1.488 0 40 DDAB C[C@@H]1CN(Cn2nc3c4ccccc4ncn3c2=O)C[C@@H](C)O1 19497568 IMOBZTXCAFETJW-VXGBXAGGSA-N 313.361 1.111 0 40 DDAB O=C(c1ccc2nsnc2c1)N1CC[C@@H](n2ccnn2)C1 206926230 ZFQRKCJEYQEXCP-SNVBAGLBSA-N 300.347 1.370 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104147361 IVEJPPRNMLAXSO-GVARAGBVSA-N 301.342 1.834 0 40 DDAB COC(=O)C1CN(C(=O)c2ccnc(O[C@@H]3CCSC3)c2)C1 225724790 URGXDHFYIKCUHW-GFCCVEGCSA-N 322.386 1.211 0 40 DDAB Cc1ccn(-c2ccc(N3CCC[C@@H]([C@H]4CCNC4)C3)nn2)n1 561267817 YQQIBOIZPDXKOM-LSDHHAIUSA-N 312.421 1.797 0 40 DDAB O=C(CSc1nncs1)N1CCN(c2ccccc2)CC1 3491136 UMQKXQXUMAASTB-UHFFFAOYSA-N 320.443 1.979 0 40 DDAB CCN(CC)C(=O)CSCC(=O)N[C@H](C)c1ccccn1 5700139 PVSULXBTSAOHFD-GFCCVEGCSA-N 309.435 1.860 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@@H](CC(C)C)N1CCOCC1 26064373 FLAXJWXKVMCJEA-OAHLLOKOSA-N 323.437 1.697 0 40 DDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)NC(C)(C)C 34872230 DDIGMYGSDBAQOX-NSHDSACASA-N 316.405 1.831 0 40 DDAB COCCN1CC2(CCN(C(=O)C3CC(C)C3)CC2)CC1=O 1565553272 QVWDYZGHVPQPEL-UHFFFAOYSA-N 308.422 1.520 0 40 DDAB CCOC(=O)[C@](O)(c1ccc(NC(=O)NC)cc1)C(F)(F)F 2274505 YXSRHMQVPZUUSH-GFCCVEGCSA-N 320.267 1.751 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 13791383 UZBPEQUCAKKVFX-CYBMUJFWSA-N 324.402 1.499 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)no1 23106543 VJVZWAONBRKSDT-JTQLQIEISA-N 322.390 1.402 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CCCC[C@@H]1C(=O)O 20214772 PKLHFGLTKDHJDR-SECBINFHSA-N 315.167 1.867 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2ccco2)N2CCOCC2)o1 40477358 JRDIISOSXZGYHV-CYBMUJFWSA-N 304.346 1.984 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](C(F)(F)F)C1 40477276 FRUALRSAJPAVRL-IUCAKERBSA-N 318.347 1.855 0 40 DDAB CCOc1c(OC)cccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC 809707 BFMPYXVDWSVRCE-CYBMUJFWSA-N 320.345 1.895 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 83829955 VEZYAIBWQPVWPN-VIFPVBQESA-N 307.379 1.346 0 40 DDAB COc1ccc2cc(C(=O)N3CCn4c(C)nnc4C3)[nH]c2c1 69484988 LIYIXUXFZUTNQU-UHFFFAOYSA-N 311.345 1.732 0 40 DDAB CCOC(=O)NCCC(=O)Nc1cccnc1N1CCCC1 69443159 BMZVDJABNLAMRI-UHFFFAOYSA-N 306.366 1.757 0 40 DDAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1nncs1 31891517 JZYRVNVIHKKIPH-UHFFFAOYSA-N 305.294 1.026 0 40 DDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccccc2)c1 2809353 SEUXPPULAQRSEV-GEEKYZPCSA-N 323.352 1.598 0 40 DDAB OCNc1nc2c3ccccc3nc(CCN3CCCC3)n2n1 3030910 KSINSIXZXHSSQR-UHFFFAOYSA-N 312.377 1.278 0 40 DDAB COC(=O)Nc1snc(C)c1C(=O)NCc1ccccn1 32035070 XPUOLZKJHMMEQH-UHFFFAOYSA-N 306.347 1.955 0 40 DDAB CCOC(=O)C1=C(c2ccc(O)c(OC)c2)NC(=O)N[C@@H]1C 3190178 STYBLCAOUBPGQQ-MRVPVSSYSA-N 306.318 1.376 0 40 DDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1cccc(F)c1 32319204 CSUBSPDZESEMRJ-UHFFFAOYSA-N 320.320 1.938 0 40 DDAB COc1cccc(CO[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 32488232 GFSWOGDKLGYUMH-GFCCVEGCSA-N 320.389 1.324 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 45888946 MGVQHFSHMCTOQN-CYBMUJFWSA-N 305.378 1.211 0 40 DDAB CN(C)C(=O)COC(=O)c1cc(=O)c2cc(Cl)ccc2o1 7761629 KVMRQHZSFBRPFV-UHFFFAOYSA-N 309.705 1.691 0 40 DDAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1O 100280192 DZBRREFWOOFABV-CLTKARDFSA-N 313.107 1.344 0 40 DDAB CO[C@@](C)(C(=O)N1CCN(C(=O)C(C)C)CC1)c1ccccc1 69531112 IQTIUJPVTKCUBP-GOSISDBHSA-N 318.417 1.875 0 40 DDAB Cc1cccc(N2CCN(Cc3nnnn3C3CC3)CC2)c1C 46552139 PFFOUDSJQHDDIO-UHFFFAOYSA-N 312.421 1.947 0 40 DDAB COc1ccccc1/C=C/C(O)=C1\C(=O)NC(=O)N(C)C1=O 101393889 DLGJGTQBFXCYES-YZDDFNNUSA-N 302.286 1.229 0 40 DDAB CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccncc1 58018013 SBJGWBTUJXGNAX-CQSZACIVSA-N 311.382 1.348 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(F)cc1 23075055 DGBGRDSKOUKMEP-UHFFFAOYSA-N 320.320 1.734 0 40 DDAB COCCOc1ccc(CNC(=O)N2CCOC[C@@H]2C)cn1 46817946 HVEDJMOUVBATBI-LBPRGKRZSA-N 309.366 1.037 0 40 DDAB COc1ccccc1[C@H](CNC(=O)[C@H](C)n1cncn1)N(C)C 42474184 WPRAOMMYEUKCLZ-JSGCOSHPSA-N 317.393 1.267 0 40 DDAB CN(CCN1CCOC1=O)[C@@H]1CCN(c2ccccc2F)C1=O 71900653 VWKIUNBJAXKZGG-CQSZACIVSA-N 321.352 1.315 0 40 DDAB CCN(Cc1ccccc1)C(=O)COC(=O)c1cccnc1N 23989863 CYSWVZAMRFCLRA-UHFFFAOYSA-N 313.357 1.869 0 40 DDAB CCCN1C(=O)C(=O)N(CN2CCc3ccccc3C2)C1=O 24031748 DXNURNWRAVONAE-UHFFFAOYSA-N 301.346 1.203 0 40 DDAB CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)C1=CCCCC1 24105785 FHRQTFGMJZWIMW-UHFFFAOYSA-N 315.377 1.436 0 40 DDAB C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 107142688 WCIONPLTLWXKGF-PRHODGIISA-N 306.790 1.708 0 40 DDAB CN1CCC(N(C)CCN(C)C(=O)Nc2cccnc2)CC1 56500428 PHBOSJPRGVLDSG-UHFFFAOYSA-N 305.426 1.571 0 40 DDAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2cccs2)CC1 20612600 RBNHMCUZZUVTBD-ZDUSSCGKSA-N 322.430 1.896 0 40 DDAB O[C@H](CN[C@@H]1CCc2ncnn2C1)COc1ccc(Cl)cc1 69875518 PGWPXZZEVSNHTP-CHWSQXEVSA-N 322.796 1.276 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)C1 58018217 SKXMTOVBSTWAKK-CHWSQXEVSA-N 307.394 1.244 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)c1 10044261 YFUGOSYWTLCUSG-OAHLLOKOSA-N 318.398 1.808 0 40 DDAB Cc1noc(C)c1CN1C(=O)C(=O)N(Cc2cccs2)C1=O 44874784 GEKQQMCMGGNLNS-UHFFFAOYSA-N 319.342 1.844 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 44890793 SLOGJULFTNWINB-KBPBESRZSA-N 303.337 1.944 0 40 DDAB CN1CCC(NC(=O)CCc2ccc3c(c2)OCCO3)CC1 113969539 VERIQTLEQQJIBT-UHFFFAOYSA-N 304.390 1.601 0 40 DDAB Cc1noc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 44907453 JINNUQVOCOOLSC-UHFFFAOYSA-N 320.780 1.989 0 40 DDAB CCOC(=O)c1cn(C)nc1S(=O)(=O)N1CCCCCC1 67245717 JFURYUMUDHTBFD-UHFFFAOYSA-N 315.395 1.162 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 28325223 FWNVTIFAWMABJQ-HBIYDYFMSA-N 320.414 1.730 0 40 DDAB Cn1cnnc1SCC(=O)Nc1ccc(F)c(F)c1F 3239161 JVODZBAIPOYPOX-UHFFFAOYSA-N 302.281 1.963 0 40 DDAB C[C@H](C1CC1)N(C)C(=O)NCCCn1nc2n(c1=O)CCCC2 48364814 KKXXEWMNAGCWIM-GFCCVEGCSA-N 321.425 1.211 0 40 DDAB O=C(NCc1cc[nH]n1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 48302928 DYXXSGUITSTEGO-OKILXGFUSA-N 308.382 1.279 0 40 DDAB COC(=O)CCS[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7658622 LAWKPPRKOGDGLY-VIFPVBQESA-N 310.375 1.409 0 40 DDAB CCNC(=O)[C@H](CCSC)NC(=O)COc1ccccc1 3560125 BTMKHAVHWMPFOS-ZDUSSCGKSA-N 310.419 1.439 0 40 DDAB Nc1ncnc2c1nc(SCC(=O)O)n2Cc1ccccc1 3656495 IUOPLVWEXMRRFJ-UHFFFAOYSA-N 315.358 1.634 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 13112480 MFEKDMIBJKRBDT-PHIMTYICSA-N 308.403 1.848 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccc(Cl)cc1 3890054 QGKIVHLGDKAKBZ-VOAKCMCISA-N 307.733 1.610 0 40 DDAB CCN(CC)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 4193102 GFGZERBUWNFFSY-UHFFFAOYSA-N 314.407 1.330 0 40 DDAB COC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)o1 6054596 CAZQMBWKLQMMHV-SNVBAGLBSA-N 307.375 1.980 0 40 DDAB Cc1ccccc1CN1CCCN(CCN2CCOC2=O)CC1 68968331 UTSQLNAMVAXUFC-UHFFFAOYSA-N 317.433 1.955 0 40 DDAB Cc1ccccc1[C@@H]1CCCN1CC(=O)N1CCNC(=O)C1 65530614 GIBMFKBFJDOAFA-HNNXBMFYSA-N 301.390 1.090 0 40 DDAB CCc1nc(C[S@@](=O)CC(=O)Nc2cc(C)on2)cs1 69768962 ODHGGZCEQYURDA-FQEVSTJZSA-N 313.404 1.889 0 40 DDAB CON(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14111825 BXYCFTOJQNZWCO-UHFFFAOYSA-N 307.375 1.426 0 40 DDAB COCCCNC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 5518794 ZDYQJHQPYOYYOY-WFASDCNBSA-N 306.387 1.409 0 40 DDAB CCOC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8289485 XUNWWSPUQZPQMS-UHFFFAOYSA-N 314.363 1.276 0 40 DDAB Cc1nnc2n1C[C@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 65563867 IYTZFICBORWGBG-CYBMUJFWSA-N 320.418 1.095 0 40 DDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccccc1F 4894118 HUQWFCWDHDPPCI-SSDOTTSWSA-N 307.354 1.899 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1ccccc1C(F)(F)F 5871111 XMQHMZMXYRADHD-UHFFFAOYSA-N 300.236 1.793 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N1CCc2ccccc2C1 5895111 ATJYBKUSMQEKTQ-LBPRGKRZSA-N 317.341 1.391 0 40 DDAB O=C(NCCCO)Nc1ccccc1CN1CCSCC1 72049397 FEIVEUNAYOUNEN-UHFFFAOYSA-N 309.435 1.739 0 40 DDAB NC(=O)[C@@H]1CN(Cc2ccc(-c3c(F)cccc3F)o2)CCO1 92735167 LKGDSUHEYIIIJT-AWEZNQCLSA-N 322.311 1.911 0 40 DDAB NC(=O)C1(C(=O)N2CC(OCc3cccc4ccccc34)C2)CC1 96449936 TVPWXFCUSWGHPR-UHFFFAOYSA-N 324.380 1.833 0 40 DDAB Cc1cnn(CCN[C@H](C)C(=O)NCCc2cccs2)c1 71877635 XJUINPVMFVHMDN-CYBMUJFWSA-N 306.435 1.590 0 40 DDAB CC(=O)N(CCC(=O)N1CCOC[C@@H]1C)Cc1ccccc1 71854060 WVIQPUHNBWPZLJ-AWEZNQCLSA-N 304.390 1.673 0 40 DDAB COCc1nc(C(=O)N[C@H](C(N)=O)c2ccccc2)cs1 71830945 MQMMYSZMTMWRNP-LBPRGKRZSA-N 305.359 1.246 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H](c2ccccc2)O1 71827192 XQEPPXHBJCBDHU-FVQBIDKESA-N 316.401 1.843 0 40 DDAB CNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 113956070 AFMUUPBVWDYCQR-UHFFFAOYSA-N 304.799 1.632 0 40 DDAB COc1cc(C(=O)N2CCC(C(=O)O)CC2)cc(OC)c1C 72274545 FRKQJGIPMQVHSJ-UHFFFAOYSA-N 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O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2n1 40497116 SFQFANBCWRSSIB-NSHDSACASA-N 304.371 1.399 0 40 DDAB CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)O 6659141 MTUSKHQPPJMUCO-UHFFFAOYSA-N 306.771 1.355 0 40 DDAB CC(C)CC(=O)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738746 NYGGJDSHRSLFFG-GFCCVEGCSA-N 319.405 1.834 0 40 DDAB COCc1nsc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)n1 2298031805 GHSHODHHROHZMO-LLVKDONJSA-N 322.438 1.129 0 40 DDAB O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 13628206 CWTRIYDJEQTLDI-AFIMGQEJSA-N 310.353 1.252 0 40 DDAB COc1ccc2cc(C(=O)N3CCN(C(C)=O)CC3)[nH]c2c1 40494387 DDHLYVMHDAVQHS-UHFFFAOYSA-N 301.346 1.481 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 100702626 HKNRBOYOCOEZAS-OAGGEKHMSA-N 315.369 1.515 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)[C@@H]1CC(=O)Nc1ccccc1 67660 AFWMXBISGGOHMG-GFCCVEGCSA-N 302.330 1.598 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cncn1)Nc1ccc(Cl)cn1 69597690 ZSKRURRDQNMABM-LBPRGKRZSA-N 320.784 1.430 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 28843190 QXRHDMDQCHJKIW-GXSJLCMTSA-N 315.295 1.670 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C)c1 29023823 HTBKPGJYQVLXHR-OAHLLOKOSA-N 324.446 1.815 0 40 DDAB C[C@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)[C@H](C)CO1 40501212 WUQGUWDAMIDQIH-MNOVXSKESA-N 307.325 1.709 0 40 DDAB O=C(C1CCN(CCc2ccccc2)CC1)N1CCOCC1 1845573 PWUHTXQYJVXYLJ-UHFFFAOYSA-N 302.418 1.800 0 40 DDAB OC[C@@H]1O[C@H](n2cnc3cc(Cl)c(Cl)cc32)C[C@H]1O 4823997 PESSKGMTBFGAGJ-WOPDTQHZSA-N 303.145 1.984 0 40 DDAB COc1nc(OC)nc(N2CCN(c3ccc(F)cc3)CC2)n1 4931688 GAALYNWSHZGVEN-UHFFFAOYSA-N 319.340 1.355 0 40 DDAB COC(=O)C1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 100260233 HHZUSMYIDIAMKH-IRXDYDNUSA-N 323.389 1.520 0 40 DDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)N(C)C)C2)cc1 107263156 XOEDVFVTDNLWEM-OWCLPIDISA-N 304.390 1.373 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3ccc(C)o3)CC2)n1 69536204 WOLOULVCYTWDLB-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccc(Cl)o1 102141236 UYMZFUSBGDKMEX-QMMMGPOBSA-N 307.755 1.562 0 40 DDAB CCN1C[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O 46144123 PHWICLMMRSPOLR-NEPJUHHUSA-N 309.435 1.335 0 40 DDAB Cc1noc([C@H](C)N2CCN(C(=O)c3ccccn3)CC2)n1 32804102 MXAXMIOKISEXDB-NSHDSACASA-N 301.350 1.292 0 40 DDAB Cc1nn(CCC(=O)NCCN2CCOCC2)c2ccccc12 57279383 TYONQGFJWWDGTJ-UHFFFAOYSA-N 316.405 1.183 0 40 DDAB Cn1cnc(S(=O)(=O)Nc2ccc([S@](C)=O)c(F)c2)c1 89756624 GYLJJSZUPQOITC-LJQANCHMSA-N 317.367 1.097 0 40 DDAB Cc1cc(C(F)F)nc(S[C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)n1 101631263 QAUNUHCDUJOUHW-IQJOONFLSA-N 302.302 1.898 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCOC2)C1=O 41371421 FTLCQSYXLGKBPS-QWHCGFSZSA-N 318.373 1.343 0 40 DDAB COC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 21975971 FCPGFCFALIZJHC-UHFFFAOYSA-N 309.362 1.035 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccccc2OC)n1 530948 VSOFBFIPORJNLJ-UHFFFAOYSA-N 320.378 1.219 0 40 DDAB O=C(C[C@@H]1COCCN1CCn1cccn1)c1cccs1 119531885 ICBKRPOZLUGFLE-CYBMUJFWSA-N 305.403 1.918 0 40 DDAB Cc1ccc2nc(COc3ccc(C(N)=O)cc3)cc(=O)n2c1 22376611 YAJVZWURPAHQIZ-UHFFFAOYSA-N 309.325 1.681 0 40 DDAB CCOC(=O)c1ccc(N2CCC(C(=O)N(C)C)CC2)nc1 46478809 IFQZTWZQSTYGBW-UHFFFAOYSA-N 305.378 1.563 0 40 DDAB COc1ccc(CC(=O)N[C@H](C(N)=O)c2ccccc2)cc1F 41934079 QFSBNULGGVBRBY-INIZCTEOSA-N 316.332 1.720 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101615787 PHGWOEITLMNJNA-IMIFBBOLSA-N 303.362 1.176 0 40 DDAB O[C@H](COc1ccc(F)cc1)CN1CCC[C@@H]1Cn1cncn1 69699843 FEMXSGPBWUERSX-CABCVRRESA-N 320.368 1.322 0 40 DDAB CNC(=O)[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3C)C[C@H]1O2 107263056 OSHYPBRUCCOMHB-SOUVJXGZSA-N 317.389 1.040 0 40 DDAB Cc1nc2c(-c3ccccc3)c(=O)[nH]n2c(O)c1CCC(=O)O 102569326 NYVIKXIYFPNWIW-UHFFFAOYSA-N 313.313 1.721 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CC[C@@H](N2CCCC2)C1 175919597 NMGCVAGOUIGZRR-SJORKVTESA-N 323.481 1.476 0 40 DDAB C[C@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)C[C@H](C)O1 102685610 KNZGEPYVGSFWQC-GVRJEKJASA-N 310.438 1.560 0 40 DDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 24050971 HOIKMJLPEMKULI-UHFFFAOYSA-N 303.405 1.265 0 40 DDAB CCN(CCNC(=O)CCn1cncn1)c1ccccc1C 46992271 NEZHZYPVYCHGGC-UHFFFAOYSA-N 301.394 1.619 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cnn(C)c1-n1cccc1 24993690 KUUSSHHLOPURBV-CQSZACIVSA-N 324.388 1.752 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 12323630 ABROKRDPYHMLLV-UHFFFAOYSA-N 323.291 1.352 0 40 DDAB CN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1Br 1405539 RTZAYGTZQWIWIB-UHFFFAOYSA-N 316.199 1.687 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2C1 43702301 XYTVADQQOPZADS-MWLCHTKSSA-N 309.387 1.799 0 40 DDAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCNS(C)(=O)=O 47615494 JSITUDMXXMFSNW-LLVKDONJSA-N 314.407 1.120 0 40 DDAB Cc1nnsc1C(=O)N1CCC2(CC1)C[C@H](N(C)C)CCO2 108527475 FUPLTJRQSHSJCU-GFCCVEGCSA-N 324.450 1.562 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNc1nc(N)c2ccccc2n1 108147369 HBJDHBVKHPDADO-NEPJUHHUSA-N 301.394 1.733 0 40 DDAB CC[C@H](CNC(=O)CNC[C@H]1CN(C)CCO1)c1ccccc1 69740470 BAKDTTONFCIYIE-WBVHZDCISA-N 319.449 1.217 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1C(N)=O 26755100 LKDDDQSJEYWNDA-LLVKDONJSA-N 319.386 1.528 0 40 DDAB CCCCN(CC)C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525530 PSMNYUOTKUDRPY-UHFFFAOYSA-N 317.389 1.349 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1Cc1cnc2c(cnn2C(C)C)c1 108860748 ZVXAKFVWSZPUSN-HNNXBMFYSA-N 315.421 1.969 0 40 DDAB C[C@@H](NCC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 58160029 GQCQHQSCVFFRCT-SECBINFHSA-N 315.295 1.908 0 40 DDAB CCc1ccc(-c2noc(CN(C)CC(=O)N(C)C)n2)cc1 44871393 GTKSMPOVGHIEGT-UHFFFAOYSA-N 302.378 1.819 0 40 DDAB CCc1ccc(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 44889178 IPKVPKLCOJGESL-INIZCTEOSA-N 316.401 1.897 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 44889362 BOPWZYQOQNJIMU-WZRBSPASSA-N 311.403 1.639 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCN(C3CC3)C1)C2 58280046 DVTCCRDLCHURQJ-KGLIPLIRSA-N 316.401 1.599 0 40 DDAB C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 44906814 LFDCKJFPYLOSAF-VXGBXAGGSA-N 318.373 1.586 0 40 DDAB CN(CC(=O)c1cccn1C)Cc1cnn(-c2ccccc2)n1 44977592 FHFQKRIFYIYELN-UHFFFAOYSA-N 309.373 1.921 0 40 DDAB C[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)[C@@H]1CCCO1 27889800 QDJONJBCSXRHBS-AAEUAGOBSA-N 316.361 1.748 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 28336183 VXMXRKWRLTVFOU-WDEREUQCSA-N 320.393 1.530 0 40 DDAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)N3CCOCC3)nc2n1 3331139 AWLDFPRESTXUPS-NSHDSACASA-N 321.406 1.081 0 40 DDAB Cc1nnsc1C(=O)OCc1cc(=O)n2ccsc2n1 8395263 QLZIQSKHNJWXLS-UHFFFAOYSA-N 308.344 1.273 0 40 DDAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1N 3886088 YUKZIXZHUBFRQJ-UHFFFAOYSA-N 313.423 1.502 0 40 DDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cccnc1 69416066 ZKZOAEGQYANHLG-LLVKDONJSA-N 317.436 1.081 0 40 DDAB CCCCOc1ncccc1CNC(=O)c1cc[n+]([O-])cc1 63821656 AXBAPSKLZUBNEZ-UHFFFAOYSA-N 301.346 1.824 0 40 DDAB CCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 49480695 GOLJGZAXIGTEKU-UHFFFAOYSA-N 305.421 1.429 0 40 DDAB Cn1cnc2c1CCN(Cc1nc(Cc3ccccc3)no1)C2 69489218 IFFQYWUCZGPJBE-UHFFFAOYSA-N 309.373 1.952 0 40 DDAB Cn1nccc1-c1cc(-c2ccnn2C)n2nc(C(=O)O)cc2n1 4294498 BFVRFHNGJVSAFQ-UHFFFAOYSA-N 323.316 1.229 0 40 DDAB in-vitro CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@H]2C[C@@H](C)OC2=O)C1=O 14070550 DGOYYDYUERXRRL-RCAYSMOQSA-N 320.320 1.687 0 40 DDAB CNc1nnc(SCN2C(=O)c3ccccc3C2=O)s1 14120576 GWIMAMAFBVXFBX-UHFFFAOYSA-N 306.372 1.926 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](n2cccn2)C1 65611195 HVLTUXBEQAGGDZ-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(F)c(F)c1F 4807883 SHDHVUXVEFJTML-UHFFFAOYSA-N 303.269 1.358 0 40 DDAB CS(=O)(=O)NCCC(=O)N1CCC[C@H](c2ccccc2)CC1 66766053 JNQKNHSDAMXPLU-HNNXBMFYSA-N 324.446 1.722 0 40 DDAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 7126616 PLIKFEMFLKPQMV-KRWDZBQOSA-N 317.389 1.494 0 40 DDAB Cc1nc(NC[C@@H](O)CN2CCOCC2)nc(C)c1CC(C)C 80224421 AOBUAUPRCUHKAB-OAHLLOKOSA-N 322.453 1.397 0 40 DDAB NC(=O)[C@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 92735912 NNRKTDCWSCUBNB-LLVKDONJSA-N 306.259 1.531 0 40 DDAB O=C(Cc1n[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 19534880 OIPIZNDYWNVLQN-UHFFFAOYSA-N 322.372 1.244 0 40 DDAB O=C(NCc1ccco1)[C@H]1CCCN1CCOC[C@@H]1CCCO1 71921793 KNJPLIOPRXPSEJ-JKSUJKDBSA-N 322.405 1.556 0 40 DDAB Cc1ccc([C@H]2CSCCN2CC(=O)N2CCOCC2)cc1 71909423 SEFQVLGWHUGSGT-MRXNPFEDSA-N 320.458 1.944 0 40 DDAB CCOCCOC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 71913740 WFAVFYKZJUIAEX-SNVBAGLBSA-N 305.396 1.876 0 40 DDAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)N(C)C)c12 71793810 BYUGMCUJCQCBPF-UHFFFAOYSA-N 302.334 1.227 0 40 DDAB CC[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CCO1 71798167 APQRETOVAPKOQL-CQSZACIVSA-N 315.373 1.807 0 40 DDAB Cc1cc(C)n(C2CN(CC(=O)Nc3nnc(C)s3)C2)n1 71880762 WKFOSJNCFFXOHF-UHFFFAOYSA-N 306.395 1.155 0 40 DDAB c1ccc(-c2ncc(CN[C@@H]3CCc4ncnn4C3)cn2)cc1 71871753 YKPBIGDSCGCQQZ-OAHLLOKOSA-N 306.373 1.840 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H](C)n2ccnc2)n1 71870218 KSSWTQSLFLKMJW-HUUCEWRRSA-N 301.394 1.949 0 40 DDAB CCC(=O)N1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 71817060 OBZHFBWLHKZUHT-UHFFFAOYSA-N 314.389 1.367 0 40 DDAB O=C(Nc1ccccc1C(=O)NC1CCCC1)C(=O)NC1CC1 408709618 VEGOJUYVECBQNZ-UHFFFAOYSA-N 315.373 1.576 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)no1 76044289 DJGJZVXXQNHPCG-NSHDSACASA-N 317.349 1.264 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccc[nH]3)CCO2)n1 76046166 GHZLMELZPUUZPR-NSHDSACASA-N 303.366 1.644 0 40 DDAB Cc1cc([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n[nH]1 76059979 NUXXDZZMRCMNHX-AWEZNQCLSA-N 301.394 1.790 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)CC1 72268894 WRFQWXHQJITODN-AWEZNQCLSA-N 315.417 1.707 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)[C@H](C)Oc2cccnc2)no1 76043841 WSSWAHPAFWYSFK-GXFFZTMASA-N 302.334 1.904 0 40 DDAB Cc1cccc2nc(C[S@@](=O)CC(=O)NC(C)(C)C)cn12 97083702 RCSDRMMQYJDLFQ-NRFANRHFSA-N 307.419 1.806 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)c1cc(=O)[nH]c2ccc(F)cc12 77161002 RJCXPEGJXBHJKB-MEBBXXQBSA-N 318.348 1.948 0 40 DDAB O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCc2nccn2C1 97197762 UNSMRTYEQBDGAE-CYBMUJFWSA-N 313.357 1.676 0 40 DDAB C[C@]1([C@H]2CCCN(C[C@H](O)c3ccccc3)C2)NC(=O)NC1=O 72300797 CLJRKEYXHFQYFS-GRDNDAEWSA-N 317.389 1.030 0 40 DDAB Cc1csc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 97212942 ZHLVSTGRSNMUOB-GARJFASQSA-N 319.386 1.730 0 40 DDAB O=C(c1cccc(F)c1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788653 QEASTTZFCBARDL-KGLIPLIRSA-N 310.344 1.636 0 40 DDAB Cn1cc(CCCNC(=O)NC[C@](C)(O)c2ccco2)cn1 84638401 YWFDYACUNKRLCL-HNNXBMFYSA-N 306.366 1.153 0 40 DDAB O=C1NC2(CCN(C(=O)c3ccco3)CC2)Nc2ncccc21 95394212 ZBYQHXVWHMHHIA-UHFFFAOYSA-N 312.329 1.462 0 40 DDAB CN(Cc1c(Cl)nc2sccn12)c1ccc2nnnn2n1 95406079 BWAGWDDDRKFIFX-UHFFFAOYSA-N 320.769 1.518 0 40 DDAB C[S@](=O)CCNC(=O)c1ccnc(OC2CCCCC2)c1 95458736 YMIZLOXRHDXWGU-OAQYLSRUSA-N 310.419 1.901 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)no1 78881241 GERWQXLKFBYAES-WDEREUQCSA-N 321.381 1.086 0 40 DDAB Cc1ccccc1CS(=O)(=O)N1CCN(CC(F)F)CC1 78923455 RCNSBYAZHWFBOT-UHFFFAOYSA-N 318.389 1.708 0 40 DDAB COCCN1CCC(NC(=O)[C@@H](OC)c2ccccc2)CC1 95955612 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CC(=O)N1CCC(c2cncc(N3CCC[C@H](O)C3)n2)CC1 72365028 XNNRMQZSOMHTCP-AWEZNQCLSA-N 304.394 1.164 0 40 DDAB N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 72227227 FSEBTVODJKBUJL-GJZGRUSLSA-N 300.289 1.970 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)ccc1C 73743110 SNPQPSRDUYIPEP-CYBMUJFWSA-N 307.369 1.673 0 40 DDAB CN1CCN(C(=O)c2csc(O)n2)C[C@@H]1Cc1ccccc1 560834913 OTQWTELIOQNNDT-ZDUSSCGKSA-N 317.414 1.848 0 40 DDAB O=S(=O)(c1ccc(Cl)cc1)N1CN2CCCN(C2)C1 219781583 CHSDKIGQNHJIPR-UHFFFAOYSA-N 301.799 1.225 0 40 DDAB Cn1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 71195635 GLQVIJYSQCXAJD-CQSZACIVSA-N 322.372 1.808 0 40 DDAB CCN(CC)c1c(Br)cncc1S(N)(=O)=O 72210829 BOMXFUIPWNQELU-UHFFFAOYSA-N 308.201 1.338 0 40 DDAB Cc1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 44890561 UFFVUNZIQDQSLY-UHFFFAOYSA-N 321.410 1.812 0 40 DDAB CN1CCN(c2ncnc3c2cnn3C)[C@H](Cc2ccccc2)C1 521396649 YCHXDYSGXOGSEE-OAHLLOKOSA-N 322.416 1.726 0 40 DDAB O=C(CSc1ccccc1Cl)NCCc1nc(=O)o[nH]1 567374511 KYQCGKINBSNGKQ-UHFFFAOYSA-N 313.766 1.467 0 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DIGISMVFAAQTQH-LLVKDONJSA-N 319.390 1.453 0 40 DDAB CO[C@H](C)CS(=O)(=O)N[C@@H]1CCCC[C@H]1n1cccn1 249435997 FDENBCUTDPSFNW-JHJVBQTASA-N 301.412 1.321 0 40 DDAB CN(C)[C@@H](CNC(=O)CN1C[C@H]2CC[C@H]1C2)c1ccccc1 249369480 WBWFBGRXLSESLF-XIRDDKMYSA-N 301.434 1.890 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1 257269245 MPEMVEPRECSOJI-WBVHZDCISA-N 316.401 1.749 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2c[nH]nc2C)n1 257301383 RYGWFKGQHDKLHO-ZDUSSCGKSA-N 302.382 1.432 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)CCc2ccc(Cl)cc2)C1 257230181 GBEUVVXRIHGQQZ-INIZCTEOSA-N 310.825 1.798 0 40 DDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)CC1CC1 257204191 ATLFGRRAFFPHJZ-QGZVFWFLSA-N 321.396 1.811 0 40 DDAB CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)C[C@H](C)OC 253432864 OXCUVJGHNAOJTQ-QWHCGFSZSA-N 315.439 1.795 0 40 DDAB CC(=O)N1CCC(c2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 257323935 WMMRDSBQYTYRLM-JTQLQIEISA-N 304.350 1.548 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3nccn3C)CCO2)n1 257216955 CWVQILZCUMYNCF-INIZCTEOSA-N 315.421 1.763 0 40 DDAB O=C(c1cncs1)N1CCOC[C@@H]1CCc1cnccn1 257314819 UYPNLUNWENBRKV-LBPRGKRZSA-N 304.375 1.407 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)CCn2nccc2C)n1 257229579 FYQLNGJCMGOPET-AWEZNQCLSA-N 314.393 1.777 0 40 DDAB COCC[C@@H](CO)NC(=O)NC[C@@H]1CCN(C)c2ccccc21 252510390 ZJFXBBCZTBLKBR-KBPBESRZSA-N 321.421 1.307 0 40 DDAB CC(=O)N1CCC[C@@H]2N(C(=O)c3cnc(C)cn3)CCC[C@@]21C 257290405 QCVKTONDMADTAD-RDJZCZTQSA-N 316.405 1.791 0 40 DDAB Cn1ccnc1CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257322526 WGIMSNZXHHJHRV-RDJZCZTQSA-N 301.390 1.824 0 40 DDAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)COCC(F)(F)F 262498969 LTSCPHMSTRZLIY-GFCCVEGCSA-N 317.263 1.776 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccoc1 85471639 OIUTYYKNUOKRTK-AWEZNQCLSA-N 323.370 1.293 0 40 DDAB COc1cccc(C(=O)NCC(=O)N2CC[C@@H](OC)C[C@@H]2C)c1 281718805 IKGKTYLHHDYIAC-SWLSCSKDSA-N 320.389 1.451 0 40 DDAB CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cccc(F)c1F 287392095 DAKAXHDGSDBULU-PSASIEDQSA-N 319.329 1.839 0 40 DDAB C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1cccc(F)c1 390835826 ZDVGWASLEZCSND-UHIISALHSA-N 301.383 1.996 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3C2)[C@@H]1O 585280639 MMDISTGVQIIYTF-OAGGEKHMSA-N 302.374 1.147 0 40 DDAB Cc1cc(CN2Cc3ccnn3CC[C@H]2CN(C)C)n(C)n1 585097471 MBNLZPFFONGQNI-AWEZNQCLSA-N 302.426 1.261 0 40 DDAB Cc1ccc(C(=O)N2CC[C@](O)(CN3CCCC3)C2)cc1F 585182348 HDXYGMAGXVUYJE-KRWDZBQOSA-N 306.381 1.807 0 40 DDAB CO[C@]1(COc2cccc(C)c2)CCCN(S(C)(=O)=O)C1 585273766 DTIYPBHAAFRAAS-OAHLLOKOSA-N 313.419 1.814 0 40 DDAB C[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1ccc2c(c1)CCC2 51570837 MNXDSWJUBSMKEF-XHDPSFHLSA-N 315.369 1.816 0 40 DDAB CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)Cc1ccccc1 54274317 UWQDOBXYVRXNJD-UHFFFAOYSA-N 318.398 1.747 0 40 DDAB CC(C)(C)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 69580653 NTOJAILHXSYZCZ-UHFFFAOYSA-N 300.362 1.564 0 40 DDAB CCN(CC)C(=O)CCNC(=O)N[C@@H](C)c1c(C)nn(C)c1C 69583175 IRAVAYAXEMNJER-NSHDSACASA-N 323.441 1.656 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1nn(C)c2c1CCCC2 96099165 XIUZVBCJAOVYKV-UHFFFAOYSA-N 324.406 1.382 0 40 DDAB COc1cccc2c1OC[C@H](C(=O)N1C[C@H](C)[C@H](N(C)C)C1)C2 78894559 PMWXJEQUOTVXHZ-NWANDNLSSA-N 318.417 1.655 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)[C@H]2C[C@H]2C)c1C 5701484 KZWQLMHDGATOER-YPMHNXCESA-N 318.373 1.557 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 15421988 FCESGCVVDCNVCG-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB Cn1nnn(Cc2ccccc2)/c1=N\C(=S)Nc1ccccc1 17104998 DONMPEMIFAWVSV-VLGSPTGOSA-N 324.413 1.963 0 40 DDAB O=C(Cn1cccn1)N1CC[C@H](C(=O)N2CCCCCC2)C1 19748112 REGRIPAWIQRAJP-AWEZNQCLSA-N 304.394 1.134 0 40 DDAB Cn1nccc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238826406 DVXPZACZPRDCDH-ZETCQYMHSA-N 315.255 1.452 0 40 DDAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc2nccnc2c1 244970232 HORBSGJBOJTOOW-DAXOMENPSA-N 313.357 1.696 0 40 DDAB Cc1nc(C)c(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(=O)[nH]1 31203156 HOWBCQOHWYGACV-KBPBESRZSA-N 303.406 1.968 0 40 DDAB Cc1cc(CN2CCN(c3nc(O)cc(C4CC4)n3)CC2)no1 1888856908 WKYLIQHMBMVJIQ-UHFFFAOYSA-N 315.377 1.678 0 40 DDAB Cc1ncnc(N2CCN(c3ncnc4ncn(C)c34)CC2)c1C 1888885495 LTGGCYITZOFYNB-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB COCCN1CCC[C@]12CCCN(C(=O)c1cc[nH]n1)CC2 2055845249 WDZDISHMUDJBLL-INIZCTEOSA-N 306.410 1.517 0 40 DDAB Cc1cc(N2CC(Cn3nc(C)ccc3=O)C2)n2nccc2n1 585603326 OUCGJOXRNMJTHA-UHFFFAOYSA-N 310.361 1.039 0 40 DDAB Cc1nccc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298183893 VPZDYNBDRVSCSW-UHFFFAOYSA-N 306.435 1.577 0 40 DDAB O=C(C[C@@H](NCCO)C(=O)O)Nc1cccc2ccccc12 4280099 JHLAPQFCJHWPQN-CQSZACIVSA-N 302.330 1.204 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1F 30335233 MCHZTCCYEKQBTC-JOYOIKCWSA-N 303.355 1.680 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2cccs2)o1 31489778 IMLHTUSLZHUZAC-UHFFFAOYSA-N 314.388 1.222 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCO1 50858551 MKXHIRFDMQCKEY-INIZCTEOSA-N 324.380 1.531 0 40 DDAB COc1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 31546792 NQZDGXKCHIUAQE-UHFFFAOYSA-N 311.345 1.931 0 40 DDAB COC(=O)c1oc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1C 31608928 BJLIRLYRJFVTMA-CQSZACIVSA-N 324.358 1.302 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7400102 KCTKZSZRRAZQMO-MRXNPFEDSA-N 301.346 1.654 0 40 DDAB NC(=O)CCCNC(=O)c1nn(-c2ccccc2)c2c1CCC2 40523722 DGTJAPANTBEMCI-UHFFFAOYSA-N 312.373 1.356 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)Cn2cccnc2=O)cc1 31782530 GMNJFWCYBXCDBK-OAHLLOKOSA-N 313.357 1.616 0 40 DDAB Cc1[nH]nc2c1[C@H](c1ccccc1F)c1c([nH]c(=O)[nH]c1=O)N2 31807754 ZQURMJBNXJQOGI-JTQLQIEISA-N 313.292 1.471 0 40 DDAB COC(=O)c1cc(N2C(=O)C=CC2=O)ccc1Br 1690491 ZIGNDGKBGXXAER-UHFFFAOYSA-N 310.103 1.665 0 40 DDAB O=C(O)c1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 214767 KDILGXQBRXISBN-OLZOCXBDSA-N 303.314 1.668 0 40 DDAB CN(CC(=O)N(C)C)C[C@H](O)c1cccc(C(F)(F)F)c1 51588521 XQYFHCSPWHQDJX-LBPRGKRZSA-N 304.312 1.759 0 40 DDAB C[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 4504518 PYGIFSAOEFRANF-NSHDSACASA-N 305.357 1.318 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C1=O 6436098 VANPHHLNAYJHEL-UTUOFQBUSA-N 323.393 1.127 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(C)=O)cc1 8510974 BVYGWBZWAXXROP-UHFFFAOYSA-N 312.391 1.036 0 40 DDAB CCOCCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 60476891 YOWMPWUHHOHSML-WFASDCNBSA-N 317.451 1.728 0 40 DDAB NC(=O)[C@@H](NC(=O)COc1cccc(F)c1)c1ccccc1 12050956 IDEZSMRVSMYMTA-HNNXBMFYSA-N 302.305 1.547 0 40 DDAB O=C(c1cnsn1)N1CCC[C@H]1c1nnc2n1CCCCC2 53028730 JIMLESRWKZJZSH-NSHDSACASA-N 318.406 1.833 0 40 DDAB CCCN(CCC)C(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103138830 JIOVMSDOULQNDD-WMHQRMGPSA-N 318.417 1.832 0 40 DDAB CC[C@@H](C)Sc1nnc(NC(=O)C(=O)NC(C)C)s1 58965486 MEIZWHZBFJTKBE-SSDOTTSWSA-N 302.425 1.892 0 40 DDAB CCN(CC)[C@@H](C(=O)OCC(=O)NC1CC1)c1ccccc1 69662687 XJKVUDNNXKCYPB-MRXNPFEDSA-N 304.390 1.891 0 40 DDAB c1ccn2cc(CCNc3nccc(-n4cccn4)n3)nc2c1 69657716 UCGPQPWHOHIRMD-UHFFFAOYSA-N 305.345 1.965 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1c[nH]nc1-c1ccc(C)o1)CC2 69772887 FANWUOWOMDHYOB-ZDUSSCGKSA-N 312.377 1.983 0 40 DDAB O=C([C@@H]1COCCO1)N(Cc1ccccc1)C[C@H]1CCCO1 56150172 GYJGLEZXIKLOLX-CVEARBPZSA-N 305.374 1.610 0 40 DDAB C[C@H]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)[C@H]1C 108482122 AUWLCBZSZAQHPP-MQLXINIDSA-N 304.456 1.755 0 40 DDAB N[C@H](CSCC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 27027671 NIPWWGUUEKAOLA-SECBINFHSA-N 322.308 1.789 0 40 DDAB COc1ccc2cc(C(=O)NCCO)sc(=O)c2c1OC 2082513 QGZYNLSQTOZXRK-UHFFFAOYSA-N 309.343 1.001 0 40 DDAB biogenic C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCNC1=O 12552333 HVUHUCNTVPQCAM-NSHDSACASA-N 301.346 1.977 0 40 DDAB CC(C)OCCCNC(=O)c1cn(Cc2ccccc2)nn1 44896994 JSCWPYTVYAOXBP-UHFFFAOYSA-N 302.378 1.871 0 40 DDAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N(C)C)nc1 44895084 XFXZHBLDVPRUCB-UHFFFAOYSA-N 306.391 1.708 0 40 DDAB Cc1csc(=O)n1CCC(=O)N(C[C@H]1CCOC1)C1CC1 44941276 XGWNFKSXWMVMBI-GFCCVEGCSA-N 310.419 1.636 0 40 DDAB CC(C)C(=O)N[C@@H]1CCCN(c2ccccc2S(C)(=O)=O)C1 80975711 YFSOIRSGTJSURR-CYBMUJFWSA-N 324.446 1.831 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NC1Cc2ccccc2C1 36353025 GAMVBUUIDGBZNO-UHFFFAOYSA-N 319.364 1.680 0 40 DDAB NC(=O)C1CCN(C(=O)CCCOCCc2ccccc2)CC1 48209797 YYLNCECVFJXGGE-UHFFFAOYSA-N 318.417 1.750 0 40 DDAB O=C(NCc1ccc(-n2cncn2)nc1)c1n[nH]c2ccccc12 48279156 BVGWTLZBIVPDHU-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB CC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C(=O)O)c1 37913984 RDEKTJGRWQERJF-SNVBAGLBSA-N 313.375 1.957 0 40 DDAB O=C(CNC(=O)Cc1ccccc1)NCc1ccccc1F 12949019 SORSXIUIIPQZTE-UHFFFAOYSA-N 300.333 1.801 0 40 DDAB Cc1cccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c1C 12977597 ZJMKGFTZMNAXEM-UHFFFAOYSA-N 315.417 1.796 0 40 DDAB CCC(=O)c1ccc(OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 3503742 KKDKSNMPHNKLGC-ZDUSSCGKSA-N 318.373 1.382 0 40 DDAB COC(=O)CNC(=O)COc1ccc2oc3c(c2c1)CCCC3 13001358 SRVIBKAVFLXAHR-UHFFFAOYSA-N 317.341 1.980 0 40 DDAB Cc1noc2ncc(C(=O)NC[C@@H]3CCN(C(C)C)C3)cc12 63706608 QPGNELTWESZPHE-LBPRGKRZSA-N 302.378 1.991 0 40 DDAB CCOc1ccc(CN2C[C@H](C(=O)O)CC2=O)cc1OCC 8016628 OIGCGAAYKKTIRH-GFCCVEGCSA-N 307.346 1.917 0 40 DDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2nccs2)cs1 13735095 WRAUBSYFTXAQTO-UHFFFAOYSA-N 318.405 1.152 0 40 DDAB O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(N2CCCC2=O)c1 81766414 VOCLRXXSBCTHIF-GXTWGEPZSA-N 300.358 1.480 0 40 DDAB C[C@H]1CCCN(C(=O)CNc2cccc(-n3cnnn3)c2)C1 65595167 HTYHIWJZBIDCIL-LBPRGKRZSA-N 300.366 1.333 0 40 DDAB COc1ccccc1OCCNC(=O)NCc1nc(C)no1 66174457 CNVOXFUHRMXSFD-UHFFFAOYSA-N 306.322 1.265 0 40 DDAB COc1cccc(-c2noc(CN3CCC[C@@H]3C(N)=O)n2)c1 66560472 CFHHFFGTUUSKKK-GFCCVEGCSA-N 302.334 1.195 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 66771837 SSPORSOMYPQLCD-JQWIXIFHSA-N 319.361 1.178 0 40 DDAB COCCCn1nnc([C@@H](NC(=O)c2ccccc2)C(C)C)n1 71910039 BGDTVUJQKQFPNT-AWEZNQCLSA-N 317.393 1.837 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C)C1 71144667 QYQCZTRJOOUWBZ-NSHDSACASA-N 302.827 1.878 0 40 DDAB CCOc1ncccc1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 89988783 CSBAVKNWYNJKDU-GFCCVEGCSA-N 324.402 1.272 0 40 DDAB CCc1cccc(CC)c1NC(=O)CN(C)[C@@]1(CO)CCOC1 96007189 UAEHPHJEQUUDGP-GOSISDBHSA-N 320.433 1.833 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@H]2CCOc3ccccc32)CC1 89930526 IIGQTQJHEFZTOU-HNNXBMFYSA-N 302.374 1.634 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1 89904364 KKRNJIVNLKRRKE-BXUZGUMPSA-N 306.341 1.444 0 40 DDAB O=C(CCc1ccccn1)N1CCC[C@H](N2CCNC2=O)C1 71842093 ANBFOYHXHFGJSE-AWEZNQCLSA-N 302.378 1.030 0 40 DDAB CS[C@H](CNC(=O)c1n[nH]c(=O)[nH]1)c1cccc(Cl)c1 71898173 XUIPBYUAIRWKLS-SECBINFHSA-N 312.782 1.586 0 40 DDAB Cc1noc(CNC(=O)C2CCN(C(=O)OCC(C)C)CC2)n1 71847393 NTTAUVBHDMXWBK-UHFFFAOYSA-N 324.381 1.499 0 40 DDAB CCN1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)c2ccccc21 71894339 RKOAYYNFCAGPCR-ZDUSSCGKSA-N 322.430 1.684 0 40 DDAB Cc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccc(C)o3)C2)n1 71880947 YMVRTQHTFFBNAE-UHFFFAOYSA-N 316.405 1.917 0 40 DDAB Cc1cc([C@H]2NC(=O)c3cccnc3N2)ccc1-n1cncn1 76065193 JDLQPDLZAJQSLL-CQSZACIVSA-N 306.329 1.825 0 40 DDAB CN1C[C@@H](NC(=O)Nc2cc(CC(C)(C)C)nn2C)CCC1=O 72292062 JMBNXNLOJUWGNY-NSHDSACASA-N 321.425 1.751 0 40 DDAB Cc1ccc([C@H](CN[C@@H]2CCN(C)C2=O)N2CCOCC2)s1 72286546 TWXQPJNJNBANHX-KGLIPLIRSA-N 323.462 1.250 0 40 DDAB O=C(CN[C@@H](c1cc(F)ccc1F)C1CC1)N1CCNC1=O 97034241 PNNYHMMHALQVIG-CQSZACIVSA-N 309.316 1.557 0 40 DDAB Cc1cnc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1 97143679 ODABBNKCNVMMLK-UHFFFAOYSA-N 308.345 1.543 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cnn2ccccc12 72300599 BGFRXLUUOMMRFL-JSGCOSHPSA-N 322.434 1.094 0 40 DDAB CCOc1ncnc2c1CN(Cc1ccc(C(N)=O)cc1)CC2 97202545 YRFLPDFNGILXKV-UHFFFAOYSA-N 312.373 1.533 0 40 DDAB CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1N1CCOCC1 84735785 HMVGRKNIEXOIHW-IXDOHACOSA-N 324.465 1.905 0 40 DDAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CC(O)C1 95422140 NIDUPWVVWNWMAJ-UHFFFAOYSA-N 315.348 1.707 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@H](CO)C1 79438109 MFKWOHVQOFIIBS-HNNXBMFYSA-N 314.389 1.786 0 40 DDAB CC(C)Sc1nnc2ccc(S(=O)(=O)N(C)C)cn12 95944718 FCCIKNWQODNUSL-UHFFFAOYSA-N 300.409 1.480 0 40 DDAB c1ccc(CN2CCO[C@@H](CN[C@@H]3CCN(C4CC4)C3)C2)cc1 75093149 DGRPSFXYMARBPA-MJGOQNOKSA-N 315.461 1.714 0 40 DDAB O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)NCCc1ccccc1 37100407 MQKUHIPEHCLZFL-XHSDSOJGSA-N 315.417 1.135 0 40 DDAB CCOCc1ccccc1CNC(=O)C1=NN(C)C(=O)CC1 30178509 NBJISMCDLOYIHZ-UHFFFAOYSA-N 303.362 1.448 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 72242212 WMRQLTIYCAZHJH-OFQRWUPVSA-N 320.364 1.640 0 40 DDAB COc1c([C@H]2CC(=O)Nc3n[nH]cc32)cc2c(c1OC)OCO2 35324657 AMEAWJGRZRJMDF-SSDOTTSWSA-N 317.301 1.630 0 40 DDAB O=C(NS(=O)(=O)N1CCc2ccccc2C1)c1ccco1 78556608 VTNJTRRFRBVHOD-UHFFFAOYSA-N 306.343 1.313 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cncc([C@@H]2CCCN2)n1 72365641 VKMDGNDODICBFC-ZDUSSCGKSA-N 300.337 1.970 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C)c2)c1 31108114 WGIKACVIVDEOQI-UHFFFAOYSA-N 318.398 1.833 0 40 DDAB Nc1c(C(=O)c2ccccc2)nnc2nc(C(F)(F)F)nn12 70450779 CJGRXXMPDDIPIX-UHFFFAOYSA-N 308.223 1.351 0 40 DDAB O=C(c1c[nH]c2ccccc12)N1CCN(C[C@@H](O)C2CC2)CC1 85436678 NZNZPMMBDLQHCA-QGZVFWFLSA-N 313.401 1.697 0 40 DDAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223623606 FPTGANHHDYKKJK-HUUCEWRRSA-N 316.430 1.775 0 40 DDAB CO[C@](C)(C(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccccc1F 192144483 FEGVURCMPLOYFY-SJCJKPOMSA-N 322.380 1.801 0 40 DDAB O=C([C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1)N1CCOCC1 96183629 YZGIVGPUEANOFS-SOUVJXGZSA-N 322.430 1.339 0 40 DDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)N(C)C)CC2 96071928 JNQNHTBDSMGGDX-MRXNPFEDSA-N 310.442 1.077 0 40 DDAB CCN1CCN(CCC(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 96450833 GONVAKBYPLUFMD-DOTOQJQBSA-N 311.470 1.071 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)NCCCN(C)C)CC(=O)N2C)cc1 96181328 JVFSNQRSHCKSIF-RDJZCZTQSA-N 317.433 1.582 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1Cc1ccncc1 96061735 UAISEJLTKOIWCS-SJORKVTESA-N 310.401 1.864 0 40 DDAB COC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 98181675 DGWAHGFOAXXUQW-UHFFFAOYSA-N 311.128 1.778 0 40 DDAB CN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96075475 HHUDEBKVOCWXMN-XJKSGUPXSA-N 304.394 1.050 0 40 DDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)N(C)C)C2 96039571 LQJJNWGUIVIVGB-GDBMZVCRSA-N 313.442 1.117 0 40 DDAB CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@@H]21 96043412 CWKODVOPXOEOKC-JHJVBQTASA-N 309.435 1.458 0 40 DDAB Cc1csc(NC(=O)CCNC(=O)c2cc(C)nn2C)n1 96192454 RKEJKYHPBQXWFK-UHFFFAOYSA-N 307.379 1.252 0 40 DDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1cccnc1 95476019 YBDLECHYBAQMNI-UHFFFAOYSA-N 312.304 1.878 0 40 DDAB Cc1cc([C@@H](C)NC(=O)Cn2cc(C(=O)O)nn2)c(C)s1 90716190 PCGRVGSULZHOTQ-MRVPVSSYSA-N 308.363 1.532 0 40 DDAB CCS(=O)(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 96421262 SLEOQJJYJMQUJK-DZGCQCFKSA-N 312.435 1.215 0 40 DDAB CS(=O)(=O)C(Br)(Br)[C@H](O)C1CC1 96520860 GEDJWMZGHLMUKS-RXMQYKEDSA-N 322.018 1.246 0 40 DDAB Cn1cnnc1S(=O)(=O)Cc1ncc(Cl)cc1Cl 97094850 LKFZHKLWZPFISY-UHFFFAOYSA-N 307.162 1.491 0 40 DDAB c1ccc(CCN2C[C@@H]3OCCN(c4ncccn4)[C@@H]3C2)cc1 96246522 XPCSABABPBMBDN-SJORKVTESA-N 310.401 1.609 0 40 DDAB O=S1(=O)N=C(Cl)Nc2ccc(N3CCOCC3)cc21 95096738 RJHVOFXUJILIEN-UHFFFAOYSA-N 301.755 1.232 0 40 DDAB CCC[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1nnn[nH]1 96466432 PPLLJYBLZXLZAV-MRVPVSSYSA-N 314.271 1.885 0 40 DDAB COc1ccc(C2(CNC(=O)NCC3(O)CCC3)CC2)cc1 95416272 QZJLCFIHRZBCJW-UHFFFAOYSA-N 304.390 1.941 0 40 DDAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2nccs2)C3)nc1 248037440 NTSWLGLJZIJNEB-LBPRGKRZSA-N 318.402 1.746 0 40 DDAB Cc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 257329285 XJEWDZVXNNRVLZ-ZDUSSCGKSA-N 318.402 1.667 0 40 DDAB O=C(O)CCC(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257277087 NWIYOFJIHVGDFV-CKEIUWERSA-N 321.373 1.719 0 40 DDAB Cc1c[nH]c([C@H]2CN(Cc3ccccc3C(=O)O)CCO2)n1 257343084 ZRKMQOPSIBOUOE-CQSZACIVSA-N 301.346 1.990 0 40 DDAB CNC(=O)c1cc(C[C@H]2CCCN(c3ccncn3)C2)ncn1 257269232 MPDIAYJCZULSOV-GFCCVEGCSA-N 312.377 1.085 0 40 DDAB CCC(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 257215124 COUIBIQTNRNHBH-CQSZACIVSA-N 313.361 1.925 0 40 DDAB c1cc(N2CCN(c3cnccn3)CC2)nc(-n2ccnc2)c1 372114974 BRTJIYLAOOJOBR-UHFFFAOYSA-N 307.361 1.384 0 40 DDAB C[C@@H](NC(=O)C(=O)NCC[C@@H](O)c1ccoc1)c1ccccc1 90613190 KUEMQBHOFUGXMU-IUODEOHRSA-N 316.357 1.697 0 40 DDAB O=C(N=c1ccc2c([nH]1)OCCO2)[C@H]1[C@H]2c3ccccc3C[C@H]21 585123879 JRRKLFTVOMYWAK-UHOFOFEASA-N 308.337 1.799 0 40 DDAB COCc1nnc2n1CCN(Cc1cccc(OC)c1)[C@@H](C)C2 585097761 NWXXURXQNOOXOF-ZDUSSCGKSA-N 316.405 1.880 0 40 DDAB O=C(c1cncnc1)N1CCC[C@](O)(COc2ccccc2)C1 585269263 NKTXELRYEFQXGM-QGZVFWFLSA-N 313.357 1.523 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1ccccc1)C2 585110906 YBNVJDTYQAYQOU-HNNXBMFYSA-N 310.401 1.752 0 40 DDAB OC[C@]1(Cc2ccccc2F)CN(c2ncccn2)CCO1 585275769 JIWIIWPSEUSTSN-INIZCTEOSA-N 303.337 1.426 0 40 DDAB CC(=O)N1CCCN(CCS(=O)(=O)c2ccccc2)CC1 53815477 PPECXVYAHRVUBW-UHFFFAOYSA-N 310.419 1.015 0 40 DDAB Cc1cc(C(=O)NCCCOC(C)C)ccc1-n1cnnn1 65441004 WFGAEKDTPGLKIK-UHFFFAOYSA-N 303.366 1.516 0 40 DDAB CNC(=O)C1CCC(NCc2c(C)nn(C)c2N(C)C)CC1 65523265 FSIBQZFHXUNFMU-UHFFFAOYSA-N 307.442 1.189 0 40 DDAB O=C1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CCN1 65954550 MVMISUNWUMDQEX-GFCCVEGCSA-N 302.296 1.561 0 40 DDAB COCCN1CC[C@H](CNC(=O)COCc2ccccc2)C1 68493107 WGLQOUNHWYRURQ-MRXNPFEDSA-N 306.406 1.288 0 40 DDAB Cc1nc(CNC(=O)[C@H](C)NC(=O)CC2CCCCC2)no1 96412418 XXKZBEAQAFSCLI-JTQLQIEISA-N 308.382 1.469 0 40 DDAB O=C(COC(=O)CN1CCCCCC1=O)NCc1cccs1 11875498 MXRGOSINCIXJPL-UHFFFAOYSA-N 324.402 1.310 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CC3)n2)o1 12182865 ZLOSGAWHUWHDKP-VIFPVBQESA-N 302.334 1.234 0 40 DDAB COC(=O)CC1=N[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1O 16607964 FKJPBMDSUUXDGP-ZIAGYGMSSA-N 300.318 1.551 0 40 DDAB COc1ccccc1CCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 17054213 HUFBTXFPSGZORT-BARDWOONSA-N 317.341 1.008 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(OC)c1 169619871 YJFRWKBHTHRBMP-XCCSTKFXSA-N 319.313 1.297 0 40 DDAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1(O)CCCC1 36110504 YPRGAWHWHWJUFT-UHFFFAOYSA-N 313.419 1.895 0 40 DDAB COc1ccc(CN2CCO[C@H](C(=O)NC3CC3)C2)cc1F 1888860453 HYHGCBHKBUOQMW-HNNXBMFYSA-N 308.353 1.314 0 40 DDAB Cc1ncnc(N2CCN(c3ncnc4c3ncn4C)CC2)c1C 1888885519 WKVPZTMYHBKWHM-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB NC(=O)COc1cccc(NC(=O)c2ccc(Cl)nc2)c1 26002153 YEPYNKAYQPQLDJ-UHFFFAOYSA-N 305.721 1.851 0 40 DDAB O=C(c1cnco1)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223521 QARMGNDNTVCAKF-ZFWWWQNUSA-N 305.378 1.390 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1ccc(COC)cc1)C2 1073418025 ISOUHHYFYHTAGC-UHFFFAOYSA-N 318.417 1.627 0 40 DDAB NNc1nc(NN)nc(Nc2cccc(C(F)(F)F)c2)n1 1088931 PHLGWMLTBYPHMD-UHFFFAOYSA-N 300.248 1.205 0 40 DDAB Cc1cc(NC(=O)CSc2nc(=O)n3ccccc3n2)no1 4499765 DRDPGGDDFKOLCV-UHFFFAOYSA-N 317.330 1.117 0 40 DDAB O=C1O[C@H]2C[C@H]1N(C(=O)c1ccc(OC(F)(F)F)cc1)C2 101453336 SVKOJCVKVJDXHC-VHSXEESVSA-N 301.220 1.725 0 40 DDAB Cn1nc(C(=O)NCCOc2cccc3cccnc23)ccc1=O 38680989 SBAQYSPYCPDALJ-UHFFFAOYSA-N 324.340 1.137 0 40 DDAB Cc1nc(CN2CCN(Cc3cnn(C)c3)[C@@H](C)C2)cs1 2298029636 SAWBTZBCTPOUGY-LBPRGKRZSA-N 305.451 1.891 0 40 DDAB C[C@@H](C(=O)O)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 12086496 ICBAGNCLXBDYLD-GTNSWQLSSA-N 317.341 1.876 0 40 DDAB COc1ccccc1N1C[C@H](C(N)=O)C(C(=O)c2ccccc2)=N1 96136935 NMQQBDAPMQSWHA-ZDUSSCGKSA-N 323.352 1.856 0 40 DDAB CC(C)CN1C[C@@H](C(=O)NCCOc2ccccc2)CC1=O 30112655 OIRMMCLCTOFBEN-AWEZNQCLSA-N 304.390 1.686 0 40 DDAB Cc1nc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)oc1C 50147336 UEROGORQWDXHNA-GFCCVEGCSA-N 303.366 1.902 0 40 DDAB Cc1ccsc1C(=O)NC1CCN(S(C)(=O)=O)CC1 40497254 RYCZZHVECKCVNI-UHFFFAOYSA-N 302.421 1.210 0 40 DDAB O=C(NCc1cccnc1)N1CCC([C@H](O)C(F)(F)F)CC1 89794025 USQIZXDTLBMUQM-LBPRGKRZSA-N 317.311 1.926 0 40 DDAB COc1ccccc1/C=C/C(=O)NC(=S)N1CCOCC1 586947 BEIMWUWCAKWCPF-VOTSOKGWSA-N 306.387 1.442 0 40 DDAB CCC(CC)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 7737693 CCGODPUDBLDTIG-UHFFFAOYSA-N 304.398 1.561 0 40 DDAB Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1-n1cnnn1 28940297 QPXOMCLLUYXLQB-UHFFFAOYSA-N 323.360 1.684 0 40 DDAB C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 40511886 YYYKOVKYJFHHDM-GFCCVEGCSA-N 311.407 1.009 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1c[nH]c2ncccc12 40503892 HIONTHWWPLCMRU-UHFFFAOYSA-N 309.347 1.048 0 40 DDAB CC[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1 2804208 ZQCQIBXEJWXWHT-GHMZBOCLSA-N 316.199 1.892 0 40 DDAB CCc1nnc2n1CCN([C@@H](C(N)=O)c1ccc(F)cc1)C2 69583048 KEKRASWCZACBGI-CQSZACIVSA-N 303.341 1.022 0 40 DDAB COc1cccc(CNC(=O)CNC(=O)c2cccs2)c1 261654 WCOSQSXTLABWOG-UHFFFAOYSA-N 304.371 1.803 0 40 DDAB CN(CCn1cccn1)S(=O)(=O)c1ccc(Cl)s1 69587975 OLVAEVPCDDCNRL-UHFFFAOYSA-N 305.812 1.919 0 40 DDAB O=C(NCc1ccc(F)cc1)c1ccc(F)cc1-n1cnnn1 20727854 SKSSWKKBLPDPNS-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 6946855 HAJQHJHISOOPFA-QWHCGFSZSA-N 312.435 1.967 0 40 DDAB CCOC(=O)[C@H]1CCCCC12N1CC3(C)CN2CC(C)(C1)C3=O 19330463 ZYRCRMAJDMGMSL-PFQBFTEQSA-N 320.433 1.663 0 40 DDAB CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7458446 PZPJGORHCCXPAW-SNVBAGLBSA-N 319.336 1.909 0 40 DDAB CC(C)[C@@H](C(=O)Nc1ccc(N(C)C)cn1)N1CCCC1=O 69571639 ZWCKXLZEFPGPQK-HNNXBMFYSA-N 304.394 1.733 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCC1 8560275 PPZUJDGBVMIXOK-UHFFFAOYSA-N 312.391 1.182 0 40 DDAB c1coc([C@@H](CNc2ccc3nnnn3n2)N2CCCCC2)c1 8724776 WWQGSGJPVFRGKF-GFCCVEGCSA-N 313.365 1.751 0 40 DDAB COC(=O)c1cccc(CN2CCN(c3ncccn3)CC2)c1 32652188 QEZTZEYIAZIDCX-UHFFFAOYSA-N 312.373 1.585 0 40 DDAB COc1ccc(C)cc1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 52538258 HMSYUCVXIKEERX-CYBMUJFWSA-N 311.403 1.192 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2ccccc2)c1 32912702 XVLNCKHTKKLPOD-UHFFFAOYSA-N 319.386 1.916 0 40 DDAB Cc1cnc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 32924996 OMYZHEOVGGHOMT-UHFFFAOYSA-N 305.359 1.119 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NCc1ccncc1 9858421 QCTAAXHACWOIDQ-UHFFFAOYSA-N 317.776 1.710 0 40 DDAB CC(C)N1CC[C@H](Nc2ccccc2CN2CCOCC2)C1=O 81154310 NEORXAHUTCHPET-KRWDZBQOSA-N 317.433 1.940 0 40 DDAB CCCCNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 103107828 LMDDNMWBWWVDPT-ZDUSSCGKSA-N 303.362 1.434 0 40 DDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC(C)(C)CC)C1 46795855 LNMVXSLBZMDEFT-LLVKDONJSA-N 306.428 1.285 0 40 DDAB NC(=O)[C@H]1CCCN1c1ncnc2ccc(Br)cc12 112963609 LYIOIRZIZBFJCQ-LLVKDONJSA-N 321.178 1.846 0 40 DDAB COc1cccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c1 114183431 UKTKQVSEYLVSLI-UHFFFAOYSA-N 312.373 1.516 0 40 DDAB COc1ccc(NC(=O)c2cccc[n+]2[O-])cc1NC(C)=O 47298142 ZFVKRXRHVAKDTN-UHFFFAOYSA-N 301.302 1.539 0 40 DDAB CC(C)(CNCc1ccc(-n2cccn2)cc1)S(C)(=O)=O 89761799 BCQKSWHNKLDHOH-UHFFFAOYSA-N 307.419 1.785 0 40 DDAB CC(C)(C)OC[C@H](O)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104003854 SKKYDNDIAARCMO-SOUVJXGZSA-N 320.433 1.443 0 40 DDAB CC(C)COC[C@H](O)CNC(=O)N[C@H]1CCOc2ccccc21 89840285 WTYZKHHIWMLIGT-HIFRSBDPSA-N 322.405 1.843 0 40 DDAB Cc1nnc(NC(=O)CCn2cc(Br)cn2)s1 28227917 OBWCBDOWOJRKFB-UHFFFAOYSA-N 316.184 1.834 0 40 DDAB CC[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCO1 23888233 MUPUMUSEBGTYJF-QMMMGPOBSA-N 301.272 1.758 0 40 DDAB C[C@@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc(O)c1 3296650 YRLWHKWDKPOVLN-CMPLNLGQSA-N 315.441 1.786 0 40 DDAB C[C@H]1CN([C@@H](C)CNC(=O)/C=C/c2cnccn2)C[C@@H](C)O1 89930286 KNFDLDNGJXJQCT-LLSFEVHBSA-N 304.394 1.104 0 40 DDAB Cc1noc([C@H](C)N2CC[C@H](N(C)Cc3noc(C)n3)C2)n1 76047294 OGPRVMJQLQJSIM-CABZTGNLSA-N 306.370 1.337 0 40 DDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CC3CCOCC3)C2)C1=O 76058868 GZZJPSBDNBSOKE-XJKSGUPXSA-N 309.410 1.065 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cnc2ccccc2n1 107348124 IUTZKECAVVWQPS-STQMWFEESA-N 312.373 1.223 0 40 DDAB CC(=O)N1CCC(NC(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 56763458 ROYDSJNZBVGRBR-LBPRGKRZSA-N 319.405 1.633 0 40 DDAB C[C@@H]1COCCN1S(=O)(=O)CCn1cnc2ccccc21 26847038 CIDGHHMUFNKHFI-GFCCVEGCSA-N 309.391 1.087 0 40 DDAB O=C(Nc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 44872098 FSWALOVYKALFRD-MRVPVSSYSA-N 318.192 1.822 0 40 DDAB C[C@@H](OCC1CC1)C(=O)NCC(=O)N1CCCc2ccccc21 58281300 CGSBTUWZVHGHEZ-CYBMUJFWSA-N 316.401 1.897 0 40 DDAB CCOCCO[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 44979705 PMTXKFKSHZTWJY-WDEREUQCSA-N 322.361 1.786 0 40 DDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccccn1 44971507 SVMPTMHYNOHDQL-OAHLLOKOSA-N 322.434 1.411 0 40 DDAB CC(=O)NCCNC(=O)CN(C1CC1)[C@H]1CCc2ccccc21 58305715 FQHLSUAKVNCGLI-KRWDZBQOSA-N 315.417 1.391 0 40 DDAB CCNc1nc(Cl)nc(N(C#N)CC(=O)N(CC)CC)n1 2278534 RMWYHEPARJXKCK-UHFFFAOYSA-N 311.777 1.113 0 40 DDAB C[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)[C@H](c2ccccc2)CO1 76147822 GEUDSBMNUYYBML-PVAVHDDUSA-N 318.417 1.744 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)cc1 3436407 ZZLSXYOQZCZGOD-SNVBAGLBSA-N 308.334 1.015 0 40 DDAB Cn1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1=O 48961794 VGXSHGGIBFYQJJ-UHFFFAOYSA-N 316.741 1.979 0 40 DDAB CCOc1nnc(CN(C)CC(=O)Nc2cc(C)on2)s1 63483710 QWGIKMTXDKHBQD-UHFFFAOYSA-N 311.367 1.304 0 40 DDAB O=C(O)Cc1csc(NC(=O)Cc2ccc3c(c2)CCO3)n1 13406763 WAKMQQYCUDPHBP-UHFFFAOYSA-N 318.354 1.886 0 40 DDAB Cc1cccc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 49373057 ITAMSRKQRFNNAD-VXGBXAGGSA-N 313.444 1.779 0 40 DDAB O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)cc1 69418049 SWUHWMBCUFVWRE-HOTGVXAUSA-N 305.353 1.457 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)no1 8404254 NZXGUZVNABIQFM-UHFFFAOYSA-N 306.318 1.939 0 40 DDAB Cc1ccnc(NC[C@H]2CCN(CCC(=O)NC3CC3)C2)c1 65475303 FGIBZDJMMIFIFT-CQSZACIVSA-N 302.422 1.793 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCC(CN2CCOCC2)CC1 65415415 GKQHDAHVTOCCLG-UHFFFAOYSA-N 319.405 1.736 0 40 DDAB NC(=O)[C@@H](OC(=O)CN1CCCCCC1=O)c1ccccc1 14050676 YUUIMZJPHPSEID-HNNXBMFYSA-N 304.346 1.159 0 40 DDAB c1cc(CNCCc2nnc3n2CCC3)c2c(c1)OCCCO2 65532510 PWAQLHJIXRVVRV-UHFFFAOYSA-N 314.389 1.718 0 40 DDAB Cc1ccc(NC2CCN(C(=O)[C@@H](C)n3cccn3)CC2)nn1 69920442 HIZUOCXADMFJMN-CYBMUJFWSA-N 314.393 1.646 0 40 DDAB COc1nc(C)ccc1CNC(=O)C(=O)N(C)c1ccccc1 66221362 WMRHGBYBNMLYEV-UHFFFAOYSA-N 313.357 1.678 0 40 DDAB CC[C@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)CCO1 66374010 BPNHGEQLSHBZFT-NSHDSACASA-N 306.391 1.795 0 40 DDAB CCc1cccc(C)c1NC(=O)CSc1nc(N)nc(N)n1 4921708 OVATYYWHXYGDMX-UHFFFAOYSA-N 318.406 1.638 0 40 DDAB CCc1nc(SCC(=O)Nc2cccc(C(=O)O)c2)n[nH]1 5967790 JJBVENHKGJXLHJ-UHFFFAOYSA-N 306.347 1.796 0 40 DDAB CCCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)n[nH]c1=O 7113134 WYDFVHHULSVXBW-LBPRGKRZSA-N 320.418 1.903 0 40 DDAB O=C1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc2N1 7364603 PJDUAJXYJCLWFO-UHFFFAOYSA-N 317.370 1.445 0 40 DDAB CN1C[C@H](NC(=O)c2ccc(OCC3CC3)nc2)CCC1=O 78840539 XJEFFZVDBFBDAJ-CYBMUJFWSA-N 303.362 1.221 0 40 DDAB COc1ncccc1C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 71821628 WMRHTSNATNCWFH-CYBMUJFWSA-N 319.405 1.416 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)n1 71841433 YUBHAEALMQXUCU-MRVWCRGKSA-N 315.377 1.621 0 40 DDAB O=C1c2ccccc2C(=O)N1CCN1CCC(n2ccnc2)CC1 71897229 UFHGGPJZRZHNMK-UHFFFAOYSA-N 324.384 1.816 0 40 DDAB Cc1c[nH]cc1C(=O)N1CCN(Cc2nc(C(C)C)no2)CC1 71839638 ROQLVLHIJABIHF-UHFFFAOYSA-N 317.393 1.788 0 40 DDAB C[C@@H](CNC(=O)c1ccc2ccccc2n1)N1CCN(C)CC1 71867465 CINKNHRLJHHDQB-AWEZNQCLSA-N 312.417 1.601 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n[nH]1 78900956 ZYHMKWOSNWWVBE-VXGBXAGGSA-N 302.378 1.571 0 40 DDAB Cc1cc(C)n(CCN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900402 UJUMJBMPWCVKKF-ZDUSSCGKSA-N 316.409 1.202 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(=O)O)o1 94554782 OOBPYKOOYXVQEH-UHFFFAOYSA-N 313.306 1.904 0 40 DDAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2ccc(C(N)=O)cc2)cn1 84317487 MQCKOPPNYHKGKV-GDBMZVCRSA-N 314.389 1.386 0 40 DDAB COC(=O)CNC(=O)c1cc(-c2ccccc2Cl)nn1C 72406322 SBHXCZZRIWPGBL-UHFFFAOYSA-N 307.737 1.643 0 40 DDAB C[C@H](CCn1cncn1)NC(=O)N1CCOC2(CCCC2)C1 95422010 NSVPQEGEDFAPJO-CYBMUJFWSA-N 307.398 1.411 0 40 DDAB C[C@H](CC1CCCCC1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 95997874 WCMBLCAGVNBXOV-LLVKDONJSA-N 319.409 1.367 0 40 DDAB O=C(CN1CCC(n2ccnn2)CC1)Nc1ccccc1F 95994229 FCRSEWVNNZZGRG-UHFFFAOYSA-N 303.341 1.693 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCNCC3)O2)cc1 306143577 YFWKFUIRISIYMQ-MRXNPFEDSA-N 317.433 1.064 0 40 DDAB CCS(=O)(=O)N1c2ccc(C(=O)NC3CC3)cc2C[C@@H]1C 20448863 KDJWEKUSNXSLLL-JTQLQIEISA-N 308.403 1.680 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 27394200 UWKVMORWLAOGLH-CABCVRRESA-N 302.374 1.330 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](CO)OC(C)(C)C2)cc1 1557096861 JVWACZCOVWGGIH-AWEZNQCLSA-N 318.373 1.423 0 40 DDAB Cc1nnc(SCC(=O)NC2CCCC2)n1C[C@@H]1CCCO1 35311872 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Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 96414081 LNLSUPXMCOBPMO-MRVPVSSYSA-N 306.309 1.950 0 40 DDAB CCN1CC[C@@]2(C(=O)N(C)C)CCN(C(=O)NC(C)C)CC[C@@H]12 96145332 NOYWROUNULEBJM-RHSMWYFYSA-N 324.469 1.369 0 40 DDAB Cc1ccc(O)c(C(=O)NC2CCC(N3CCNCC3)CC2)c1 332447320 FAXBODVTGJVFSG-UHFFFAOYSA-N 317.433 1.647 0 40 DDAB C[C@@H](CNCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1 96494079 HRSLPZLTINYBNZ-NSHDSACASA-N 302.415 1.847 0 40 DDAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2cnccn2)n1 96184754 SVZOWFVQKTYVGB-DLBZAZTESA-N 323.400 1.669 0 40 DDAB CN(Cc1noc(-c2ccccc2)n1)C[C@@H]1CCS(=O)(=O)C1 96419654 SURXWJDPKCWXKX-LBPRGKRZSA-N 321.402 1.603 0 40 DDAB CNC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244388 NNGWWTQKSRTZTA-GOSISDBHSA-N 324.384 1.957 0 40 DDAB Cc1ccc([C@H](C)N(C)CCS(=O)(=O)CCC(N)=O)s1 48580498 LCKALFPXBOHZPD-NSHDSACASA-N 318.464 1.340 0 40 DDAB CCOC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CCC2 91303027 DGRCLCYNTBCWPR-UHFFFAOYSA-N 310.354 1.596 0 40 DDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1ncc[nH]1 96444709 KZGDUFRAQUHIBN-HNNXBMFYSA-N 314.389 1.317 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N[C@H](C)c1cnn(C)c1 96486802 PZRSCOLEMVLVFQ-DOMZBBRYSA-N 308.426 1.391 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC[C@@]2(COCCN(CC3CC3)C2)C1 96228797 YKISACPCJDJMTE-WMZOPIPTSA-N 322.449 1.516 0 40 DDAB CCOc1nccn2c(CNC(=O)Cc3cccs3)nnc12 253472882 QHXOEAVRASRXDP-UHFFFAOYSA-N 317.374 1.443 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H]1Cc2ccccc2O1 41177412 WRMVJNOIWQFLRN-GXTWGEPZSA-N 300.362 1.575 0 40 DDAB Cc1c[nH]c([C@@H]2CN(Cc3ccccc3C(=O)O)CCO2)n1 257343083 ZRKMQOPSIBOUOE-AWEZNQCLSA-N 301.346 1.990 0 40 DDAB COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 253473006 QYQHWNGELKKLKR-GFCCVEGCSA-N 302.334 1.117 0 40 DDAB O=C(c1cnccn1)N1CC2(CO[C@@H](Cc3cccnc3)C2)C1 257231024 GEXBVNIOKJDBOG-AWEZNQCLSA-N 310.357 1.345 0 40 DDAB C[C@]1(c2ncc(CNC(=O)c3ccon3)cn2)CCCCO1 257211944 CBEQMBMPADFRGU-OAHLLOKOSA-N 302.334 1.810 0 40 DDAB CS(=O)(=O)c1ccc(C[C@H]2COC3(CCNCC3)C2)cc1 257327751 XCOGEPBLEIGOFY-CQSZACIVSA-N 309.431 1.791 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@H]21 585109047 QEKGUVQETHFHBE-ILXRZTDVSA-N 302.374 1.441 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2ccccc2F)Cc2ccnn21 585112304 OGYAAPKOYQEXGQ-AWEZNQCLSA-N 302.353 1.715 0 40 DDAB Cn1nnc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)ccc21 69948356 IZJMJFLOHKSQDP-CYBMUJFWSA-N 310.361 1.642 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)c1C 74715885 AKCPHNAMHWRLRH-UHFFFAOYSA-N 311.385 1.954 0 40 DDAB CCn1c(=O)n(CC(=O)NC2CCCCC2)c2cccnc21 12117515 OCLRBBVGGZIUCQ-UHFFFAOYSA-N 302.378 1.667 0 40 DDAB C[C@H](NC(=O)[C@@]1(C)CCCO1)c1nc(-c2cccnc2)n[nH]1 12191780 BITITDNVDXLNDX-ZUZCIYMTSA-N 301.350 1.613 0 40 DDAB CCN1CCN(c2nc(-c3cccc(OC)c3)cc(=O)[nH]2)CC1 13639772 DRTQBIAGMMTYCO-UHFFFAOYSA-N 314.389 1.587 0 40 DDAB O=S(=O)(NC1CCNCC1)c1ccc(Br)cc1 19504542 ITCZLXSHVVNDSO-UHFFFAOYSA-N 319.224 1.479 0 40 DDAB Cn1cncc1CNc1ccc(S(=O)(=O)NC(C)(C)C)cn1 162056919 UMBPUNOBQIUFMG-UHFFFAOYSA-N 323.422 1.504 0 40 DDAB Cc1ccccc1NC(=O)C[C@H](NC[C@@H]1CCCO1)C(=O)O 4279954 KKJFHANHEJFZNG-JSGCOSHPSA-N 306.362 1.545 0 40 DDAB Cc1cc(C)nc(N2CCN(c3cc(N(C)C)ncn3)CC2)n1 1888842584 QQSFLACFLMZPHT-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB COc1nccnc1N(C)CC1CCN(C[C@H]2CCCO2)CC1 1888842694 ULSSSCOABSFOBT-OAHLLOKOSA-N 320.437 1.812 0 40 DDAB FC(F)(F)c1nnc2ccc(N3CC(Cn4ccnc4)C3)nn12 1889134462 QILLUJSFBDSQRK-UHFFFAOYSA-N 323.282 1.476 0 40 DDAB O=C(O)CC1(N2C[C@H]3C(=O)N(CC4CC4)CC[C@H]3C2)CCC1 1565549000 KZZZBVWZLCEHFK-UONOGXRCSA-N 306.406 1.574 0 40 DDAB O=C(Nc1nnc(-c2ccno2)o1)[C@@H]1COc2ccccc2O1 12234517 ZFGHBTRBTBYLOT-NSHDSACASA-N 314.257 1.503 0 40 DDAB Cn1nnc2c(SCC(=O)Nc3ccccc3F)ncnc21 13531758 AHMXNNSBAADLME-UHFFFAOYSA-N 318.337 1.628 0 40 DDAB CN(C)c1cc(N2CCC[C@@H](COc3cnccn3)C2)ncn1 2298183975 RSVVSVLSBXXXSF-CYBMUJFWSA-N 314.393 1.628 0 40 DDAB Cn1ccnc1[C@H](NC(=O)c1ccc(O)nn1)c1ccccc1 40015846 HBEFSRKIYDQUBG-CQSZACIVSA-N 309.329 1.435 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccoc2C)cc1 40498981 YKGCZBIHUWABNJ-UHFFFAOYSA-N 308.359 1.426 0 40 DDAB O=C(NCc1cccc(F)c1)NCc1nnc2n1CCCC2 45592307 CSCOEPNIINWUBF-UHFFFAOYSA-N 303.341 1.753 0 40 DDAB CCN(CC)S(=O)(=O)NCc1ccc(N2CCCC2)nc1 40501648 FIRVCGMFWLKWCL-UHFFFAOYSA-N 312.439 1.358 0 40 DDAB C[C@H](CNC(=O)c1ccc(Br)o1)N1CCOCC1 40509923 ORBMIZFRNXTDAZ-SECBINFHSA-N 317.183 1.493 0 40 DDAB CCOC(=O)NCC[C@@]1(C(N)=O)CCC(=O)c2ccccc21 1870384 VXPAPKWBKMJUBE-INIZCTEOSA-N 304.346 1.522 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)CC2=NN(C)C(=O)C2)c1 101779042 KLTLKDUKGZEWKG-SNVBAGLBSA-N 319.361 1.489 0 40 DDAB CC(=O)NCc1ccc(C(=O)COC(=O)c2cnccn2)s1 7414328 UFSZUBZFMYCYOC-UHFFFAOYSA-N 319.342 1.214 0 40 DDAB O=C1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1 89782951 VSPRMTYGAAEWPG-VIFPVBQESA-N 315.251 1.632 0 40 DDAB C[C@@]1(NC(=O)CCC(=O)c2cccs2)CCS(=O)(=O)C1 37077241 NKFTXZYCBQNMRA-CYBMUJFWSA-N 315.416 1.404 0 40 DDAB Cc1nc(CC(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)cs1 21447499 MVFCYINGNFCWJG-CYBMUJFWSA-N 308.334 1.903 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](C)C(C)C 9364095 UFQFYGWNOWDORG-JTQLQIEISA-N 314.407 1.976 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)o1 33020441 HFNVFVNAUPNYJE-SECBINFHSA-N 302.396 1.694 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(F)cc2)n1 559489 MYPOTGBZOJBPJW-UHFFFAOYSA-N 308.342 1.349 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CC[C@H]1[C@H]2OCc1ccccn1 107265968 QMRXYKOCKQNREX-KCXAZCMYSA-N 310.357 1.691 0 40 DDAB Cc1oc(C)c(C(=O)N2CCC(N3CCNC3=O)CC2)c1C 54318066 FKKNACKRAQWLHK-UHFFFAOYSA-N 305.378 1.835 0 40 DDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)Cc2cccc(OC)c2)C1 76058401 NIZMYKAMQAQAFD-SWLSCSKDSA-N 312.435 1.455 0 40 DDAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCO2 54951551 FJPOFFNICJWLTN-JTQLQIEISA-N 319.361 1.383 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 24480735 PTGFLJXVKPVCCT-QGZVFWFLSA-N 313.357 1.550 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 24599638 KTYVUPMUKALVHO-UHFFFAOYSA-N 305.359 1.741 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(F)cc1 24690294 KRJIUHMSMJKOJN-CYBMUJFWSA-N 314.382 1.370 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)[C@@H]1CCCO1 27862341 HIDIFSKFDVPNSY-YPMHNXCESA-N 304.346 1.096 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(CCCCC2)C1 76085285 CRBPLPMGRSYAFM-ZDUSSCGKSA-N 314.451 1.787 0 40 DDAB Cc1cc(C)cc(CCNC(=O)N[C@@H]2CCCCNC2=O)c1 77555657 FBYARFGRLYYBDU-OAHLLOKOSA-N 303.406 1.814 0 40 DDAB O=C(NC1CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89834980 RWWTZJJGUHOGPI-HOTGVXAUSA-N 301.390 1.444 0 40 DDAB O=C1NC[C@H](C(=O)Nc2ncc(Cc3ccccc3F)s2)N1 89814038 WMXKBFRAQQSRKI-LLVKDONJSA-N 320.349 1.493 0 40 DDAB Cc1ncsc1CCN1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 106918693 CNVWTFMSRSVORZ-ABAIWWIYSA-N 322.434 1.304 0 40 DDAB C[C@H]1C[C@@H](NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C(=O)O1 106907887 PJOHNJULOVDWDE-REWJHTLYSA-N 324.446 1.804 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2c(F)cccc2F)c[nH]1 34957572 UKXWDGHNHDJPHN-UHFFFAOYSA-N 302.258 1.792 0 40 DDAB COC(=O)c1ccc(Cn2cc(-c3nnco3)ccc2=O)cc1 58006654 XHMZVRKNDBJOED-UHFFFAOYSA-N 311.297 1.733 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C(C)(C)CO1 36076002 OIZLRXWNZUDXAZ-SNVBAGLBSA-N 324.402 1.369 0 40 DDAB Cc1cc(CNC(=O)C2=NN(C)C(=O)CC2)c2ccccc2n1 44917771 CZVFASTZHMLCHA-UHFFFAOYSA-N 310.357 1.768 0 40 DDAB Cc1cc2n(n1)C[C@H](CNCCCCn1ccccc1=O)CN2 58306390 QBMCAAULDSISRC-OAHLLOKOSA-N 315.421 1.465 0 40 DDAB O=C(Cn1ccccc1=O)NCc1cnn(-c2ccccc2)c1 48279493 MFZXPVAQPNVHEE-UHFFFAOYSA-N 308.341 1.350 0 40 DDAB c1coc(-c2noc(CN3CCC[C@H]3Cn3cncn3)n2)c1 69601686 GETCYWUQQYXRCT-NSHDSACASA-N 300.322 1.586 0 40 DDAB CNc1snc(C)c1C(=O)NC1CCN(C(=O)C2CC2)CC1 12981046 LKRCCROLGIAETK-UHFFFAOYSA-N 322.434 1.624 0 40 DDAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 12978792 AZGUIVNYEIWFTD-CJNGLKHVSA-N 306.362 1.285 0 40 DDAB CCN(CC(=O)NCc1cccs1)CC(=O)N1CCCCC1 12989671 DGFNTNLGHGETCF-UHFFFAOYSA-N 323.462 1.699 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1 69310261 REPYEDBKLIIPGB-KFWWJZLASA-N 310.438 1.861 0 40 DDAB Cc1csc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)n1 49200046 DMLAUKUASUYUHZ-UHFFFAOYSA-N 319.173 1.954 0 40 DDAB O=C(NCc1ccccn1)C(=O)Nc1cccc2nsnc12 13690408 FQGQHQQWKFLTOH-UHFFFAOYSA-N 313.342 1.341 0 40 DDAB Cc1nnc2n1CCN(CC(=O)NCCC1=CCCCC1)C2 69483798 LYWRFNVNMDBAFA-UHFFFAOYSA-N 303.410 1.409 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 4226905 FRCDZAQHPUAIIN-ZJUUUORDSA-N 302.808 1.994 0 40 DDAB COc1cc(OC)c(CNC(=O)[C@H](C)n2cccn2)c(OC)c1 65435011 DZOIOKKMJGRVNB-NSHDSACASA-N 319.361 1.786 0 40 DDAB CCC(=O)N1CCC[C@@H](C(=O)NCc2cccc3c2OCO3)C1 65730781 XUOVPUIMUSXQPT-CYBMUJFWSA-N 318.373 1.680 0 40 DDAB O=C(CNC(=O)NC1CC1)Nc1ccccc1Br 8728713 RGNBDTFLJGPXNA-UHFFFAOYSA-N 312.167 1.849 0 40 DDAB COc1ccc(SCC(=O)N2CCN(C)CC2)cc1OC 20041708 LJNUUHVVGIGVRB-UHFFFAOYSA-N 310.419 1.570 0 40 DDAB CC(C)c1cc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)n[nH]1 67732296 UUSKSIUCNIBWJT-GFCCVEGCSA-N 324.450 1.963 0 40 DDAB CCc1cn[nH]c1[C@@H]1CCCN(c2cncc(C(N)=O)n2)C1 67878972 WWJNOUTZVHEJRD-LLVKDONJSA-N 300.366 1.245 0 40 DDAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2ccccc12 7633592 RRAREJIEAKEAPG-JTQLQIEISA-N 316.313 1.838 0 40 DDAB C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccn(C)c(=O)c1 68293599 MEGVYSAQDKZIHN-ZDUSSCGKSA-N 311.385 1.566 0 40 DDAB NC(=O)[C@H]1CN(Cc2ccc(-c3c(F)cccc3F)o2)CCO1 92735168 LKGDSUHEYIIIJT-CQSZACIVSA-N 322.311 1.911 0 40 DDAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)n(C)n1 28575229 XKKKOICOUYIKJS-UHFFFAOYSA-N 320.437 1.493 0 40 DDAB O=C(CN1CSCC1=O)Nc1nc(-c2ccccn2)cs1 9657058 BCBLAJZSLJUKNB-UHFFFAOYSA-N 320.399 1.677 0 40 DDAB Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 9690884 CDLYHSWZOHWWFD-UHFFFAOYSA-N 300.362 1.718 0 40 DDAB CCOC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 71820665 AOPXCRVBDIJCLJ-UHFFFAOYSA-N 300.362 1.908 0 40 DDAB C[C@@H](C(=O)N(C)C1CCN(c2ccccn2)CC1)n1ccnc1 71850990 SVLAWMQVFNTJPG-AWEZNQCLSA-N 313.405 1.967 0 40 DDAB COc1ccc2[nH]cc(CC(=O)NCc3nc(C)no3)c2c1 71847385 QHSDRZGNXPKULK-UHFFFAOYSA-N 300.318 1.727 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccc(N(C)C)nc2)c(=O)[nH]1 84072794 MKWSDEYFURQWFT-UHFFFAOYSA-N 300.362 1.383 0 40 DDAB Cc1cc(C)n(CCN2CCO[C@H](CNc3cccnn3)C2)n1 78893966 DCQARAFSDPFXOT-OAHLLOKOSA-N 316.409 1.103 0 40 DDAB COC(=O)c1ccc(-c2noc(-c3ccn(C)c(=O)c3)n2)cc1 78803071 OOOYIIJOYNNQIK-UHFFFAOYSA-N 311.297 1.889 0 40 DDAB CC(C)c1ccsc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 72290703 VWLRCPTWHDXWSG-CQSZACIVSA-N 307.375 1.296 0 40 DDAB CN1CCC(Nc2cccnc2N2CCC(CO)CC2)CC1 97038746 ULLQUWRFQYEZBD-UHFFFAOYSA-N 304.438 1.796 0 40 DDAB NC(=O)[C@@H]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 97083724 GIJRLYFMZADYJG-SECBINFHSA-N 323.759 1.367 0 40 DDAB COCCN(CC(=O)OC)C(=O)/C=C(\C)c1ccc(F)cc1 97315705 RHMNAEUGLDLASD-ZRDIBKRKSA-N 309.337 1.877 0 40 DDAB COC(=O)C1=C(C)NC(=O)[C@]1(Nc1ccccn1)C(F)(F)F 20528382 PRUTUKJEANDINO-LBPRGKRZSA-N 315.251 1.371 0 40 DDAB c1ccc(-n2cnc(CSc3nc4ncccn4n3)n2)cc1 95457406 DPEMQXNDFOJBLC-UHFFFAOYSA-N 309.358 1.997 0 40 DDAB Cc1cnc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)o3)C2)o1 95402398 YQYYMKMIQMDSRK-ZDUSSCGKSA-N 317.393 1.950 0 40 DDAB COc1ccc(OC)c(CCC(=O)N[C@H]2CC(C)(C)OC2=O)c1 95435816 YKRGPIHJCOFMGV-ZDUSSCGKSA-N 321.373 1.847 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCO[C@H]2CCCC[C@H]21 95960396 UGLSERSVRXXIII-KGLIPLIRSA-N 321.421 1.494 0 40 DDAB CCc1ncc(NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn1 95972429 GYLUOQBWZWESKY-UWVGGRQHSA-N 314.411 1.324 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@@H]2CCOC2)c1 89432526 NPIFHOGCCYGUFU-FZMZJTMJSA-N 324.377 1.073 0 40 DDAB CCOC(=O)[C@@H](C)N(C)C(=O)CCCNC(=O)C(C)(C)C 75110651 KPRHETBDLYRYQP-LLVKDONJSA-N 300.399 1.339 0 40 DDAB CCn1cc(CCC(=O)NCCn2nc(C)cc2C)c(C)n1 28573851 YKEGNAYPSIWGSP-UHFFFAOYSA-N 303.410 1.774 0 40 DDAB NC(=O)[C@]1(c2ccccc2)CCN(Cc2cnc(C3CC3)nc2)C1 1550308663 YKTUGRPHYQRSOY-LJQANCHMSA-N 322.412 1.983 0 40 DDAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)O 30882164 HONZVBSOFMWRLY-AVGNSLFASA-N 303.424 1.865 0 40 DDAB biogenic,in-vitro Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c1 34888876 ZOIQNNDXXUQYEQ-HNNXBMFYSA-N 306.406 1.601 0 40 DDAB CN(C)C(=O)COCC[C@@H]1CN(CC2CCC2)Cc2ccnn21 306128855 HMQVMHQUQBDTCH-MRXNPFEDSA-N 320.437 1.535 0 40 DDAB CC(=O)N1CCN(c2ccc(CC[C@H]3CCCN3)cn2)CC1 72365053 SQUKOWUJTJPIQS-MRXNPFEDSA-N 302.422 1.435 0 40 DDAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)n1 72369690 CZJVZYFLDNJWBI-HNNXBMFYSA-N 313.405 1.923 0 40 DDAB CNCC(=O)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 72383010 AJAWRUGORISEGT-CYBMUJFWSA-N 312.377 1.498 0 40 DDAB COc1ccccc1N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 217347752 ROLKPLJIYRQHNY-FOCJUVANSA-N 301.298 1.066 0 40 DDAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCN1CCOCC1 30851694 XJOHMPJAAJDJKJ-INIZCTEOSA-N 320.433 1.909 0 40 DDAB CN(CC(=O)O)C[C@H]1CCCN1C(=O)OCc1ccccc1 79390896 MMCLSFLDOFKZPL-CQSZACIVSA-N 306.362 1.804 0 40 DDAB Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1c[nH]c2ncccc12 79354752 LFCYEFRRJDMDBX-JTQLQIEISA-N 319.390 1.644 0 40 DDAB C[C@@H](CNc1ncc(C(N)=O)cc1Cl)N1CCOC[C@@H]1C 79002703 SWGYNZBKOYQRBY-UWVGGRQHSA-N 312.801 1.355 0 40 DDAB COC(=O)c1ncn(CCCOc2ccc3c(c2)OCO3)n1 78995459 MZAQHWBNHCCFIF-UHFFFAOYSA-N 305.290 1.263 0 40 DDAB CNc1nccnc1C1CCN(C(=O)c2ccn(C)n2)CC1 72364210 VZLHOBAWZARSEA-UHFFFAOYSA-N 300.366 1.272 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCO2)N1CCc2ncsc2C1 41194299 CNLHYJDMHVHJSA-UHFFFAOYSA-N 324.383 1.619 0 40 DDAB CC(C)(C)n1cnc(C(=O)NCCc2ccc(C(=O)O)cc2)n1 567355501 BDDUXJKZOSQPMF-UHFFFAOYSA-N 316.361 1.704 0 40 DDAB O=C1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C(=O)N1 89754983 UXDQCPHGHPXATQ-SECBINFHSA-N 300.236 1.240 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NC3CCCCC3)c(O)n2c1 226821700 NIOWFBSYHVBYDZ-UHFFFAOYSA-N 301.346 1.771 0 40 DDAB CCC[C@H](NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)O 195551778 AKTUFVOJXKMCNH-LBPRGKRZSA-N 305.309 1.995 0 40 DDAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCCO)cc1 222984135 VHCKGGGZVRLTCX-ZDUSSCGKSA-N 322.405 1.177 0 40 DDAB COCC(C)(C)N1CCN(Cc2ccccc2C(=O)O)CC1 572127548 IVJFQWODNQGZOE-UHFFFAOYSA-N 306.406 1.927 0 40 DDAB Cc1cc(N(C)C)nc(CNC(=O)c2sc(C)nc2C)n1 224186952 IFBHYPLDQBOCSI-UHFFFAOYSA-N 305.407 1.854 0 40 DDAB Cc1ncc(C(=O)N(C)C2CCN(c3cnccn3)CC2)[nH]1 329872258 BHQZVVUZPSCGGN-UHFFFAOYSA-N 300.366 1.249 0 40 DDAB CCN(CC)CCNC(=O)CCC(=O)NCCc1ccccc1 199428773 HLWBJZSKJXRKEC-UHFFFAOYSA-N 319.449 1.584 0 40 DDAB C[C@H]1CCCN(CCCNS(=O)(=O)CC2CCOCC2)C1 96427722 UGIYLUSUVSHWLG-AWEZNQCLSA-N 318.483 1.454 0 40 DDAB COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccccc1F 91690068 RMJZPHOLZRTRIG-NWDGAFQWSA-N 313.325 1.925 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2ccnc(Cl)n2)C1 98063898 QUGHHEXVVGYINM-WDEREUQCSA-N 302.765 1.915 0 40 DDAB C[C@@H](CCc1cccn1C)NC(=O)Nc1cccn(C)c1=O 96435118 AKZSXSKPBMIIMK-LBPRGKRZSA-N 302.378 1.867 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)Cc3ccco3)CC2)CN1C 96209695 SREPBZIMEKVVRD-CQSZACIVSA-N 306.406 1.781 0 40 DDAB CNC(=O)C(C)(C)CN[C@@H](C)Cn1cc(Br)cn1 97373400 LKEZFJAHMWAYOT-VIFPVBQESA-N 317.231 1.396 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ccc(C)cn1)[C@H]2C 96109642 HJEYNMCHLPLYKR-LBPRGKRZSA-N 300.362 1.950 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc21 96111916 TURFQZRDLRWULT-ZFWWWQNUSA-N 302.374 1.664 0 40 DDAB biogenic,in-vitro NS(=O)(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 96496893 KHQMAPHXMJWTSQ-SSDOTTSWSA-N 320.239 1.685 0 40 DDAB c1coc(CN2CCO[C@@H]3CN(C4CCOCC4)C[C@@H]3C2)c1 96207340 XPKSEAABUIKEIZ-WMLDXEAASA-N 306.406 1.591 0 40 DDAB O=S(=O)(C1CC1)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042447 FXSDJTKNHYFXJX-KFWWJZLASA-N 324.402 1.184 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccc(OCc3nnnn3C)cc2)C1 96101315 VENWJOFGOSQMOE-LBPRGKRZSA-N 315.377 1.661 0 40 DDAB O=C(CN1CCCNC1=O)N(Cc1ccccc1)CC(F)F 96432669 BHANPJCUNQUQMO-UHFFFAOYSA-N 311.332 1.696 0 40 DDAB Cc1ccc(CN2CCO[C@H]3CN(C(=O)NC(C)C)C[C@H]32)o1 96248816 PZOXMFXEDJECMW-CABCVRRESA-N 307.394 1.591 0 40 DDAB CCN(C1CCN(c2cccc(F)n2)CC1)S(C)(=O)=O 96429453 OWCWHYZKZKREGC-UHFFFAOYSA-N 301.387 1.471 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257333536 YBYPGWPZWKUKPJ-JTQLQIEISA-N 305.407 1.919 0 40 DDAB O=C(Cc1cccs1)NCCn1ccc(-c2cnccn2)n1 253472323 LJNUKJSLBAXTDU-UHFFFAOYSA-N 313.386 1.761 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2CCc2ccncc2)c1 257212487 CDRHTIREPYAJKR-AWEZNQCLSA-N 320.418 1.601 0 40 DDAB COCCCOC1CN(C(=O)[C@@]2(O)CCc3ccccc3C2)C1 252501921 ULLJPUJPRWPJIR-GOSISDBHSA-N 319.401 1.170 0 40 DDAB O=C(NCc1cnn(-c2ccccc2C(=O)O)c1)c1cccnc1 257293386 QPGCCLKBZHFIJY-UHFFFAOYSA-N 322.324 1.896 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2ccoc2)cc1 90613103 SSSQCPHCMYYXNJ-HNNXBMFYSA-N 323.370 1.884 0 40 DDAB C[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)n1cccn1 42393030 AVZWLKGEOMMECD-CABCVRRESA-N 306.410 1.157 0 40 DDAB COCc1c(C(=O)N(C)CC(N)=O)sc2cccc(F)c12 46979831 QAEPEVIJXJRLLE-UHFFFAOYSA-N 310.350 1.744 0 40 DDAB NC(=O)CC1CCN(C(=O)COCCOc2ccccc2)CC1 49389666 KHYRZXQHWNGEDL-UHFFFAOYSA-N 320.389 1.196 0 40 DDAB CCN1C[C@@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1=O 66690086 FZPMSDADDXEUFL-WFASDCNBSA-N 320.364 1.594 0 40 DDAB CC(C)N(CCNS(=O)(=O)N(C)[C@H](C)C1CC1)C(C)C 66901649 FILYTBXDPWWANI-CYBMUJFWSA-N 305.488 1.670 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1COc2cc(OC)ccc2C1 64656342 MCGCRTBIPFSPSI-CYBMUJFWSA-N 320.389 1.183 0 40 DDAB CCN(C(=O)CN1CCn2c(C)nnc2C1)C1=CCCCC1 69528289 PTCIIPXYSRLUNQ-UHFFFAOYSA-N 303.410 1.709 0 40 DDAB CCOc1ccc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85436604 SJHMPLRSXGUWKE-QGZVFWFLSA-N 318.417 1.614 0 40 DDAB Cc1csc(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1 96121955 MNZBQOZLGUYCGL-UHFFFAOYSA-N 301.433 1.952 0 40 DDAB C[C@@H](CNC(=O)N1CCC[C@H](CO)C1)N(C)c1ccccc1 79272800 RPCZCPMKGUDKDI-GJZGRUSLSA-N 305.422 1.925 0 40 DDAB CCc1ocnc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](CC)C1 83817694 MDXFCBLQQPWQMW-CHWSQXEVSA-N 307.394 1.420 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 1548448295 ZYGQRNMXWSEWCO-HUUCEWRRSA-N 318.352 1.036 0 40 DDAB CN(c1ccc(C(=O)COC(=O)C2CC2)cc1)S(C)(=O)=O 5149135 SMDFGTZLWFFMQR-UHFFFAOYSA-N 311.359 1.218 0 40 DDAB CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)CC1 5977709 ZFLMOVQZIICQNV-CYBMUJFWSA-N 310.419 1.612 0 40 DDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCn2c(nnc2C2CC2)C1 12116189 HYCIBYKKSRQTTJ-UHFFFAOYSA-N 324.344 1.795 0 40 DDAB Cc1cccc(C)c1N1C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C1=O 16899681 DHDHSPBGJVJFAN-GHMZBOCLSA-N 322.386 1.080 0 40 DDAB CCN(C(=O)c1nc2nc(C)cc(C)n2n1)C1CCN(C)CC1 19656565 VKGCPRHDZNHJHS-UHFFFAOYSA-N 316.409 1.297 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)c1cccc(C(F)(F)F)c1 107286636 MJQKKRUKHLSTSU-USWWRNFRSA-N 303.280 1.567 0 40 DDAB COc1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)[C@@H](C)C2)c1 19575572 BDROWZBTQWCRPV-YOEHRIQHSA-N 318.417 1.907 0 40 DDAB CCOC(=O)C1CCC(O)(CSc2nnc(N)s2)CC1 233664308 VVBJJPKZRNHENG-UHFFFAOYSA-N 317.436 1.697 0 40 DDAB CCN=c1ccnc(N2CCN(Cc3c(C)noc3C)CC2)[nH]1 1889092427 AGTICMKYVGRFQL-UHFFFAOYSA-N 316.409 1.257 0 40 DDAB O=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 32832698 ZPRJHAFQAUHCBY-YFKPBYRVSA-N 314.310 1.535 0 40 DDAB CCCc1nnsc1C(=O)N1CCCN([C@H]2CCOC2)CC1 1565522875 ASMOQPALHPLERM-LBPRGKRZSA-N 324.450 1.427 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1cccnc1 10386491 RDNXDKWGILYBIY-UHFFFAOYSA-N 319.386 1.066 0 40 DDAB CCOc1ccc(-c2cc(C(=O)NCC(OC)OC)n[nH]2)cc1 1775968829 MRPDOXQGNIRGPB-UHFFFAOYSA-N 319.361 1.824 0 40 DDAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2ncc(F)cn2)C1 2086860229 DXIDAKFRRVPLKA-AWEZNQCLSA-N 305.288 1.568 0 40 DDAB O=c1c2ccccc2ncn1C[C@H](O)COCc1ccccc1 40477394 UHCJGUUQFUUETP-HNNXBMFYSA-N 310.353 1.974 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 146277 PLFFUTZIHSARGE-UHFFFAOYSA-N 310.331 1.863 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccncc1 45666039 NKFYMKRFIIWWST-ZIAGYGMSSA-N 302.378 1.597 0 40 DDAB NC(=O)[C@H]1CCC[C@@H](NC2CCN(c3nccs3)CC2)C1 90460920 VPEWEHMQWSIWFZ-WCQYABFASA-N 308.451 1.746 0 40 DDAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)cc1 51356875 IRWIARGPFKRHTA-UHFFFAOYSA-N 303.318 1.912 0 40 DDAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(C)cc2)C1=O 51373563 MEAAZFOJRDTLPD-DYVFJYSZSA-N 320.389 1.845 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(OC)c1 3473932 BTJOJUDLOONNDP-UHFFFAOYSA-N 324.333 1.096 0 40 DDAB CN1C(=O)C(=C2NCCc3c2[nH]c2ccccc32)C(=O)N(C)C1=O 20760042 PKLGFUFVDULMFF-UHFFFAOYSA-N 324.340 1.075 0 40 DDAB biogenic CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)on2)cs1 6681606 PQPRFYKVAVBBAU-UHFFFAOYSA-N 315.376 1.595 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100634639 MVEDZDROOIFVKH-RSUWNVLCSA-N 319.382 1.593 0 40 DDAB NC(=O)C1(CNCc2ccc(-c3cccnc3)o2)CCOCC1 89794107 MXRXJHNCQBPGQK-UHFFFAOYSA-N 315.373 1.713 0 40 DDAB COCCN1C(=O)C[C@H](Nc2ccc(OC)c(Cl)c2)C1=O 102615999 RSGFPUZUNNLHAD-NSHDSACASA-N 312.753 1.534 0 40 DDAB Cc1cc([C@H]2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)on1 52828088 YROOMMFNLYRTOL-LLVKDONJSA-N 314.349 1.290 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cccnc1N1CCOCC1 22080716 DLPMHHVMQBEMOA-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB CC(=O)c1cc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)n(C)c1 8414779 VTVYQVUBWAGQKV-NSHDSACASA-N 306.362 1.832 0 40 DDAB C[C@H](C(N)=O)N1CCN(Cc2csc3ccccc23)CC1 22786036 CISOKDKDQQKYQZ-GFCCVEGCSA-N 303.431 1.893 0 40 DDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 2929268 AFQOHCPIHVZWGB-NSHDSACASA-N 306.343 1.473 0 40 DDAB CC/N=c1\nc(NCC)nc2n1[C@@](O)(c1ccccc1)CS2 102916259 IXVDEQRZKLOCLJ-HNNXBMFYSA-N 317.418 1.430 0 40 DDAB O=C(NCc1cn2ccccc2n1)NCc1cn2ccccc2n1 42811603 QBFHGHPVLQWWNR-UHFFFAOYSA-N 320.356 1.981 0 40 DDAB C[C@@H]1CN([C@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)C[C@@H](C)O1 105650682 JCHONXYSGWIYGZ-IJLUTSLNSA-N 306.410 1.515 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccccc2F)CC1 24242997 SSFBZMWZZCYFBW-ZDUSSCGKSA-N 305.397 1.610 0 40 DDAB Cc1nc(CN2CC[C@H](N3CCCC3)C[C@H]2C(=O)O)cs1 107779244 LXGAOAYTNUULHK-KBPBESRZSA-N 309.435 1.965 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccsc1 24605647 VXMUOOLYIRTLOK-UHFFFAOYSA-N 324.427 1.727 0 40 DDAB O=C(NC1CC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 12599068 LIXCNHVUDFLTTN-CYBMUJFWSA-N 324.402 1.036 0 40 DDAB O=C(CN1CCc2cncnc2C1)N1CCO[C@H]2CCCC[C@H]21 106659679 LCPKQMHMANERQF-CVEARBPZSA-N 316.405 1.005 0 40 DDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)c(O)c1 12567975 DMBPARGPYLNXDT-VIFPVBQESA-N 306.318 1.234 0 40 DDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cnn(C)c1 25311208 XJUZVVDXCYXHLY-AWEZNQCLSA-N 300.362 1.813 0 40 DDAB C[C@@H]1CN([C@H](C)C(=O)Nc2sccc2C(N)=O)C[C@@H](C)O1 26462112 JDJACFGJUGCMHZ-OPRDCNLKSA-N 311.407 1.283 0 40 DDAB CC(=O)Nc1ccc(CC(=O)N(C)C2CCN(C)CC2)cc1 57693871 YIUREWFNRAEINK-UHFFFAOYSA-N 303.406 1.740 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2[nH]cnc2c1 12604052 XUIGLAOEITWLCU-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB CCCCOC[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2091579 OVGNNZJDYJKHBE-ARFHVFGLSA-N 320.433 1.445 0 40 DDAB biogenic CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2CCCNC2)CC1 58041034 MVONCMXBKQOXNX-LBPRGKRZSA-N 311.426 1.502 0 40 DDAB COc1cccc([C@H]2CCCN2CC(=O)N2CCNC2=O)c1 44894482 GNLOHVIULLLREI-CQSZACIVSA-N 303.362 1.384 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1CC(F)(F)F 44893678 AHKAUGIHGPNWDC-UHFFFAOYSA-N 303.284 1.239 0 40 DDAB C[C@@]1(NC(=O)c2ccc3c(c2)CCCC3)CCS(=O)(=O)C1 44869773 AAUAKTZDRBUFTD-MRXNPFEDSA-N 307.415 1.872 0 40 DDAB O=C(CNc1ccc(F)cc1OCCO)NCc1cccs1 58209000 YSPNCEOKPFUMGG-UHFFFAOYSA-N 324.377 1.987 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 58471594 GYLRTWBLDPJLEK-ZDUSSCGKSA-N 324.402 1.427 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(C)cc(=O)oc2C)on1 11010675 KKWYYHCSIJYNQT-SNVBAGLBSA-N 320.301 1.737 0 40 DDAB COc1cc(CC(=O)Nc2nc(CC(N)=O)cs2)ccc1C 11000050 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324.388 1.552 0 40 DDAB O=C(CSC1=NCCS1)NC(=O)NCc1ccccc1 9689842 XOIDFCUXPATOAF-UHFFFAOYSA-N 309.416 1.848 0 40 DDAB O=C(CNC(=O)c1ccc(Cl)cc1)NCc1ccncc1 9603793 ZVKVQJIERSZMRA-UHFFFAOYSA-N 303.749 1.781 0 40 DDAB C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 94345717 APEVGEIMINCIOT-KOLCDFICSA-N 322.352 1.982 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCOC(C)(C)C1 71843106 URETWBNGYCARAV-UHFFFAOYSA-N 305.334 1.086 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)on1 71824752 UTLMJGNHOGKLOD-UHFFFAOYSA-N 304.350 1.546 0 40 DDAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 71830778 FEKFAXNWSPROAJ-IJEWVQPXSA-N 317.433 1.863 0 40 DDAB Cc1ccc2nc(CN[C@H](C)[C@H](C)n3cccn3)cc(=O)n2c1 71882089 NFVWNPLUNXSRJM-KGLIPLIRSA-N 311.389 1.939 0 40 DDAB Cc1nn(C)c(NC(=O)CNC(=O)/C=C/c2ccccc2)c1C 71883719 DBBADBSEPKOWTM-MDZDMXLPSA-N 312.373 1.805 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 306123438 ANAMKYNQQDENRW-HZSPNIEDSA-N 302.374 1.734 0 40 DDAB CCc1nc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)no1 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318.373 1.589 0 40 DDAB CN1CCC(NCc2ccccc2CN2CCC[C@H]2CO)CC1 120637264 XVUQFGODTKLGMK-IBGZPJMESA-N 317.477 1.827 0 40 DDAB CCn1nc(C)c(CN2CC3(CCOCC3)CC[C@H]2CO)n1 528641760 SYLSAOYHVXRPCN-AWEZNQCLSA-N 308.426 1.360 0 40 DDAB COC[C@@H]1CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 72343701 WHWOBLLWALHJLP-OAHLLOKOSA-N 308.397 1.795 0 40 DDAB Cc1cnc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)c(C)c1 1553506463 OIRBOKHVESQLQU-HNNXBMFYSA-N 302.422 1.764 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2N2CCCC2)C1 72364649 YESGMLKFBFSNQJ-LBPRGKRZSA-N 310.423 1.216 0 40 DDAB c1ccc(-n2nnnc2N[C@H]2CCOC3(CCOCC3)C2)cc1 77522575 SUBOQHWNIWQTRS-ZDUSSCGKSA-N 315.377 1.802 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1 35670920 XSMKKGQOXRWXSO-UHFFFAOYSA-N 322.386 1.703 0 40 DDAB C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1ccccc1 72807742 VQMUHBWOTMMANK-CYBMUJFWSA-N 311.385 2.000 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218380866 QQDLQDQLUAFBNE-MDZLAQPJSA-N 317.794 1.111 0 40 DDAB Cc1cc(N[C@H](Cn2cncn2)c2ccccc2)n2ncnc2n1 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COc1ccc([C@@H]2CNCCN2C(=O)c2ccnn2C)cc1 257284481 PCWIFDPCIXMPKT-HNNXBMFYSA-N 300.362 1.215 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cc(C)on2)n1 257316735 VGTJPNBRPRUXAY-ZDUSSCGKSA-N 303.366 1.697 0 40 DDAB CCOc1ccc(CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1CO 257255174 KGLHORKONWFRDX-ROUUACIJSA-N 321.417 1.693 0 40 DDAB CCC(=O)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257271227 MXKOAMRMWGTOFE-MRXNPFEDSA-N 303.406 1.987 0 40 DDAB Cc1cnc(C(C)(C)NC(=O)Cn2c(O)nc3ccccc32)[nH]1 572848335 FZVRACUVERYVPF-UHFFFAOYSA-N 313.361 1.825 0 40 DDAB CCOC[C@@H]1CCn2nccc2CN1C(=O)c1cnc(C)[nH]1 585098415 XSBYEIGYVFFVGN-ZDUSSCGKSA-N 303.366 1.366 0 40 DDAB Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ncn(CC(=O)O)n2)cc1C 663337073 JSKMVUPELRXJQN-QWHCGFSZSA-N 314.345 1.722 0 40 DDAB Cc1cc2c(cc1NC(=O)[C@H]1CCCCN(C)C1=O)OCO2 585141831 ZEPBIHRBZYRQLO-LLVKDONJSA-N 304.346 1.921 0 40 DDAB NC(=O)[C@@H](NC(=O)CCOCc1ccccc1)c1ccccc1 57447721 PEFRMRODNPMNDE-KRWDZBQOSA-N 312.369 1.936 0 40 DDAB CCn1nccc1CNC(=O)[C@@]1(N)CCc2c(OC)cccc21 1578365151 HTWGQHLRXOCIAS-QGZVFWFLSA-N 314.389 1.328 0 40 DDAB COc1ccccc1C(=O)N1CCN(C[C@H](O)C2CC2)CC1 85436597 CPOABARZWLQRMF-HNNXBMFYSA-N 304.390 1.224 0 40 DDAB COCCCNC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 5015930 CZYRNBVVKAHQBG-CQSZACIVSA-N 305.378 1.579 0 40 DDAB CNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 13276642 JVLPJRIVZQTUKQ-UHFFFAOYSA-N 310.331 1.498 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@@H]12 5359188 TYOLRTYWMXRCLK-KATMMPPTSA-N 314.389 1.709 0 40 DDAB CC[C@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 5194642 UTNJJJLMKIYSDE-NEPJUHHUSA-N 309.341 1.001 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cc(C)on3)C2)nn1 1888853839 FMHNLVPHHYIJFO-LBPRGKRZSA-N 302.334 1.623 0 40 DDAB CN(CCC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 26920072 HZDKMTMQSHJXGU-AWEZNQCLSA-N 322.430 1.085 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@]32C(=O)NC2CCC2)cn1 2056225428 VZJAJTLREOTWIF-MLGOLLRUSA-N 300.362 1.058 0 40 DDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)C 5339387 XZEASNLRCDFUAB-UHFFFAOYSA-N 312.391 1.830 0 40 DDAB O=C(Cc1cccs1)NCc1nnnn1-c1ccc(F)cc1 9571046 XMSBGHLORZVASQ-UHFFFAOYSA-N 317.349 1.722 0 40 DDAB CCCNC(=O)Cn1nc(C)c2cnn(C(C)(C)C)c2c1=O 36665684 HPKJRKYMRAVOBS-UHFFFAOYSA-N 305.382 1.183 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@@H]1C(=O)NC[C@@H]1C(C)(C)C 585149704 KCQWPOVILAKWFZ-UWVGGRQHSA-N 324.402 1.882 0 40 DDAB O=S(=O)(c1cccc2nsnc12)N1Cc2cccnc2C1 585393021 DKUYFUDCPWRKFD-UHFFFAOYSA-N 318.383 1.791 0 40 DDAB O=C(N=c1cc[nH]cc1)[C@@H]1CCCN(c2cc3c(nn2)CCC3)C1 618257055 PRNGGEQORLOBIA-CQSZACIVSA-N 323.400 1.637 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 40043162 CSDMXNIRPSCZCD-UHFFFAOYSA-N 320.780 1.700 0 40 DDAB C[S@@](=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1 50603736 MQUKFZVUQOAXEY-NRFANRHFSA-N 318.280 1.813 0 40 DDAB NS(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 70004785 RFXGUFZISOAMRI-UHFFFAOYSA-N 312.391 1.410 0 40 DDAB CCOc1ccc(C(=O)NC2CCC(C(N)=O)CC2)cc1OC 69348927 ORWSVAKFERQMCY-UHFFFAOYSA-N 320.389 1.868 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)[C@H]2Cc3ccccc3O2)CC1 40500857 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C[C@H](Nc1cccc(OCC(N)=O)c1)C(=O)Nc1ccccc1 32808947 RRJZQQKUTNQFQL-LBPRGKRZSA-N 313.357 1.990 0 40 DDAB O=C(NCCCOC[C@H]1CCCO1)c1cccc2[nH]ncc12 71903961 GSYPOUZWXNBCEH-GFCCVEGCSA-N 303.362 1.878 0 40 DDAB O=C(c1cccnc1)N1CCC[C@@]2(CCN([C@H]3CCOC3)C2)C1 107191795 JOSOOLHZKSVOAV-WMZOPIPTSA-N 315.417 1.799 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H](CNS(C)(=O)=O)C1 41625446 VLSUVRWNKSAVNG-LBPRGKRZSA-N 301.412 1.053 0 40 DDAB CC(=O)N1CCC(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)CC1 46882206 PDUKHBXFDONMEP-OKILXGFUSA-N 309.454 1.339 0 40 DDAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)nc1 107226371 KCZHCPKWLLGUEJ-CZUORRHYSA-N 300.362 1.915 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)CN(C)C(=O)c1cccs1 53439167 XSBDBHBZQOCCNU-GFCCVEGCSA-N 310.419 1.848 0 40 DDAB C[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)[C@@H]1CCCO1 42059462 WVSARTRJYVHZSI-AAEUAGOBSA-N 317.345 1.187 0 40 DDAB COc1cccc([C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c1 42010415 NBWOQZMIUGWYAL-HNNXBMFYSA-N 315.373 1.967 0 40 DDAB O=C(c1ccncn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721097 CALRMLKZCOVXBN-SOUVJXGZSA-N 303.362 1.275 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101469085 RFXLAFBMVCLYPX-XUXIUFHCSA-N 303.314 1.678 0 40 DDAB CN(CCN1CCOCC1)Cc1nc(-c2cccs2)no1 22932590 GWQRSSVDIAEGHO-UHFFFAOYSA-N 308.407 1.562 0 40 DDAB CC(C)(C)NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 23697484 NILMHEMXXYLGCU-AWEZNQCLSA-N 324.446 1.595 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 47647405 STTGUJKDIDSLER-AWEZNQCLSA-N 324.327 1.428 0 40 DDAB O=c1c2cc(Cl)cc(Cl)c2ncn1CCOCCO 78707878 VCPGOKQXNHGUCD-UHFFFAOYSA-N 303.145 1.712 0 40 DDAB O=C(NCCn1ccnc1)NC[C@H]1CCN(CC(F)(F)F)C1 43311015 ALKAARWKJIDSPI-LLVKDONJSA-N 319.331 1.067 0 40 DDAB COC(=O)[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(C)C 24910788 ZFOBUTJGCZZBFO-CYBMUJFWSA-N 302.334 1.195 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 43702240 CJBMZANZQXYFRR-LBPRGKRZSA-N 309.749 1.684 0 40 DDAB CC(C)COCCCNC(=O)N1CCN(c2cnccn2)CC1 26264333 RABVPDUYQFWBKS-UHFFFAOYSA-N 321.425 1.371 0 40 DDAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CO)CC1 89942738 PBTITDZAJPTTBR-CHWSQXEVSA-N 308.426 1.885 0 40 DDAB CS(=O)(=O)CCSc1nc2ccccc2c(=O)n1C1CC1 57957834 WXAILUQQVNADHJ-UHFFFAOYSA-N 324.427 1.868 0 40 DDAB C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1cncn1 27581147 IQZDNNZZTOGTSE-LBPRGKRZSA-N 319.796 1.841 0 40 DDAB CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)c1nnc2ccccn12 58281108 LQMUGIIWPIZMDQ-RWMBFGLXSA-N 317.393 1.999 0 40 DDAB CC[C@@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)CCO1 44972005 RLEKQBKWUCOPCG-GFCCVEGCSA-N 322.361 1.615 0 40 DDAB Cc1nn(C)c(Oc2ccccc2)c1CNCCn1cncn1 58424115 WFKWDPLHEMQXBH-UHFFFAOYSA-N 312.377 1.902 0 40 DDAB COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)cn1 10582306 RVTCVOZTAMGRMV-CYBMUJFWSA-N 304.277 1.613 0 40 DDAB C[C@@H](NS(=O)(=O)CCn1cnc2ccccc21)[C@@H]1CCCO1 28327762 KGSPTHUKYFQYIQ-DOMZBBRYSA-N 323.418 1.523 0 40 DDAB COC(=O)c1cc(OC)ccc1OCC(=O)NCC(F)(F)F 48264639 XOCTWYBXTMGSOX-UHFFFAOYSA-N 321.251 1.539 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCN2CCSC2=O)n1 48406687 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69901249 YEBHUCIUHWHGIB-UHFFFAOYSA-N 312.416 1.694 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-n2cnnn2)cc1 5459616 JQOOPNFWCFLPJH-CHWSQXEVSA-N 315.377 1.831 0 40 DDAB O=C(O)C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1Cl 5511593 WNTIKQJCPFTHAW-GOSISDBHSA-N 310.158 1.765 0 40 DDAB C[C@@H](NC(=O)N(Cc1ccncc1)C1CC1)c1nncn1C 89913910 IZBNXCSIFXZRKU-LLVKDONJSA-N 300.366 1.645 0 40 DDAB Cc1cc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1 72368757 PGHVXPQZZZJIRE-CYBMUJFWSA-N 306.391 1.681 0 40 DDAB O=C(NCCNc1ncc(Br)cn1)c1cccnc1 67351202 FNPVMCOAUHJQRA-UHFFFAOYSA-N 322.166 1.476 0 40 DDAB O=C(CSc1ccccn1)N1CCN(c2ccccn2)CC1 18241255 JLQMJEXQNJBYSV-UHFFFAOYSA-N 314.414 1.918 0 40 DDAB CN1CCN(C2CCN(C[C@@H](O)c3ccccc3F)CC2)C1=O 75604117 ANVOIBSDRYAIHW-MRXNPFEDSA-N 321.396 1.691 0 40 DDAB C[C@H]1CCC[C@H](C)N(Cc2nc(CS(C)(=O)=O)no2)C1 75767298 HTWLBJHEROIJBA-QWRGUYRKSA-N 301.412 1.625 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1 9183882 NQYZKJKBYZYOQW-INIZCTEOSA-N 323.352 1.956 0 40 DDAB O=C(Cn1cnnn1)N[C@H](Cc1ccccc1)c1ccccc1 7988234 GAYNQZSPUZUICW-MRXNPFEDSA-N 307.357 1.773 0 40 DDAB COc1cc(C)sc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76053325 WSWIQEROGBXTND-WCQYABFASA-N 324.446 1.858 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 81700966 ONFVVULGCKFZJD-FUHWJXTLSA-N 324.380 1.499 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2cccc(OC)c2)CC1=O 8235055 RZFZKMLIELCBMC-NEPJUHHUSA-N 306.362 1.517 0 40 DDAB CNS(=O)(=O)CC(=O)N(Cc1ccco1)c1ccc(C)cc1 83606933 MZPLZRBEURRWOZ-UHFFFAOYSA-N 322.386 1.670 0 40 DDAB COCCN(CC(F)F)C(=O)N[C@H](C)c1cn(C)nc1C 71803234 LSEMLRCOYIJXDS-SECBINFHSA-N 304.341 1.713 0 40 DDAB CCN1C[C@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CC1=O 71865222 MXOQQKVJARBCKH-ZIAGYGMSSA-N 304.394 1.133 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3cscn3)CC2)n(C)n1 71823371 KFKRRVMFPUADEW-UHFFFAOYSA-N 305.407 1.143 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2ccco2)CC1 71892725 XYNUYJFICUTDRI-QGZVFWFLSA-N 312.369 1.928 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(Cc3ccco3)CC2)n1 71828054 GXFSLEQMDKGNQW-HNNXBMFYSA-N 316.405 1.998 0 40 DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](O)C1 83753090 WPBJXRMPKOEDLN-OXMIEMGYSA-N 302.440 1.233 0 40 DDAB Cc1ncccc1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97086392 GGTUZOJYAVBLLN-HNNXBMFYSA-N 310.357 1.710 0 40 DDAB O=C(OCC(=O)N1CCCC1)[C@@H]1CCCN1c1nccs1 97001545 DZYMIGWRVGAYDC-NSHDSACASA-N 309.391 1.278 0 40 DDAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCC(=O)NCc1ccco1 97164537 UDUSCNUNAIKYDI-SECBINFHSA-N 305.334 1.583 0 40 DDAB CCc1nnsc1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 97147425 AFANVYMYXYBWFG-JTQLQIEISA-N 308.338 1.196 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N(CCc1ccccc1)[C@H]1CCOC1 84528742 OZYJQXWVHZKEKP-INIZCTEOSA-N 312.369 1.849 0 40 DDAB O=C(Cc1ccccc1O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 84502378 MRJUDZRXCJHLFJ-OAHLLOKOSA-N 316.401 1.842 0 40 DDAB CC(C)Cc1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)n[nH]1 79491935 HKKXJOAICWMBOA-GFCCVEGCSA-N 313.361 1.817 0 40 DDAB O=S1(=O)CCC[C@@H](Nc2ncnc3cc(F)c(F)cc23)C1 95403252 QTRFRBSQRWCYAL-MRVPVSSYSA-N 313.329 1.897 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C1 95955044 LUZWTDVGTARZLG-BZUAXINKSA-N 301.390 1.853 0 40 DDAB COCCN1CCC(NC(=O)[C@H](OC)c2ccccc2)CC1 95955611 ISTUOEZZNKEWSK-MRXNPFEDSA-N 306.406 1.601 0 40 DDAB O=C(CN(C[C@H]1CCCO1)c1ncc(F)cn1)N1CCCC1 95974204 ONNPZZJDPOJRIA-CYBMUJFWSA-N 308.357 1.224 0 40 DDAB NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F 89091558 UUIQQXUGWKUBAG-LDYMZIIASA-N 306.790 1.885 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)OCC(=O)NC2CCCCC2)cn1 75136798 ORPHGXGVWVXVMH-KGLIPLIRSA-N 305.378 1.516 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@@H]1Cn1cncn1 75133025 JPVGHDROZITNAW-CYBMUJFWSA-N 317.397 1.111 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218562943 UEMYJSQEOMJZMY-PMPSAXMXSA-N 311.447 1.884 0 40 DDAB O=C(c1ccc(I)cc1)N1CCNCC1 34957789 UXNHOPYASITJEN-UHFFFAOYSA-N 316.142 1.337 0 40 DDAB C[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc(Cl)nc1 37989603 SXFHQPOXRQBNOF-VIFPVBQESA-N 300.771 1.299 0 40 DDAB CCN(C1CCN(Cn2cc(Cl)cn2)CC1)S(C)(=O)=O 66859370 TVLMQFPICLMZMF-UHFFFAOYSA-N 320.846 1.240 0 40 DDAB CCOC[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218001726 AVVOSUKEBKSAHU-CHWSQXEVSA-N 303.811 1.868 0 40 DDAB CCn1ncnc1CNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 516856060 IBPPCFUQUURVIJ-QWHCGFSZSA-N 306.391 1.274 0 40 DDAB O=C(NCCn1nc(-c2cccs2)ccc1=O)[C@@H]1CCCO1 72346819 MSEOXNKZTNVVSP-LBPRGKRZSA-N 319.386 1.267 0 40 DDAB O=C1N[C@@]2(CCCN(C(=O)c3cnccn3)C2)Oc2ccccc21 72347565 RMYZGDJWOYLLKT-KRWDZBQOSA-N 324.340 1.231 0 40 DDAB CC(C)N(C(=O)CN)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392940 GSTONUDYUSYSHC-OAHLLOKOSA-N 319.405 1.593 0 40 DDAB C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC2CCOCC2)C1 189145403 OWEADKNOXVKGRK-UONOGXRCSA-N 318.483 1.453 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)c(F)c1 77938170 FESXVUFKOSZJLG-TVQRCGJNSA-N 312.316 1.571 0 40 DDAB O=C(CNS(=O)(=O)c1ccccc1)NCCc1ccccc1 41778449 CRDYXHHKWWQIDN-UHFFFAOYSA-N 318.398 1.324 0 40 DDAB COCCCNC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1 226852871 SYTGFOKWYSUUBZ-ZDUSSCGKSA-N 303.362 1.792 0 40 DDAB CC(C)NC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 223204229 BCBMGGIZTMTONU-ZDUSSCGKSA-N 318.373 1.792 0 40 DDAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)n2nnnc2N1 45895996 SPDJRCKJUAPHBK-CYBMUJFWSA-N 315.333 1.534 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1Cc1cccs1 41122927 GOYHVZSGGWTDDL-UHFFFAOYSA-N 316.386 1.531 0 40 DDAB CC1(C)CC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccccc21 96183211 FXQFSWUQTDHTQQ-ZDUSSCGKSA-N 316.401 1.996 0 40 DDAB COc1cccc2nc(C[C@H]3CNCC[C@H]3CC(=O)O)[nH]c12 514288410 CXUQWORYNREGOL-QWRGUYRKSA-N 303.362 1.814 0 40 DDAB biogenic,in-vitro COC(=O)c1ccc(CN(C)[C@H]2CCN(C3CC3)C2=O)cc1 96486777 ADNOCOJTYXHFJK-HNNXBMFYSA-N 302.374 1.668 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2nccn2C)Oc2ccccc21 96111925 FDHWGCUPHJKLEE-JSGCOSHPSA-N 312.373 1.418 0 40 DDAB biogenic,in-vitro Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4cnn(C)c4)C[C@@H]23)n1 96057248 ORECSWVESKBZDI-KFWWJZLASA-N 317.393 1.049 0 40 DDAB Cc1c(CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cnn1C 97234274 ZLANEOKMJFOGJG-OAHLLOKOSA-N 316.409 1.931 0 40 DDAB O=C(c1ccoc1)N1CC2(CCN(C(=O)c3cscn3)C2)C1 96046442 JEMYFOKJNGCXSA-UHFFFAOYSA-N 317.370 1.724 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96048946 HLUBWKBVZQHWNQ-UHFFFAOYSA-N 318.421 1.430 0 40 DDAB O=C(c1cscn1)N1CCC2(C1)CN(C(=O)c1ccco1)C2 96046441 YSWOSAAUYXIDIA-UHFFFAOYSA-N 317.370 1.724 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)N(C)C)CC2 96254726 QYYSBLKYZBSDCT-UHFFFAOYSA-N 303.410 1.467 0 40 DDAB O=C1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)CC2)N1 96217607 INGLIMYMGBRRRZ-OAHLLOKOSA-N 308.403 1.510 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1nccs1 257339416 ZBPJNJLFHPEPTI-CQSZACIVSA-N 303.391 1.170 0 40 DDAB Cc1nc(CN2CCOC[C@H](Cc3ccncn3)C2)cs1 257333620 YCHUKXVSFZEBJP-CYBMUJFWSA-N 304.419 1.933 0 40 DDAB c1cn(-c2cncc([C@H]3CCCN(Cc4cc[nH]n4)C3)n2)cn1 257200940 AFKDBPIPYSQKAD-ZDUSSCGKSA-N 309.377 1.765 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)C3CCN(C)CC3)CCO2)nc(C)n1 257292878 QNIBAVAYGFHJTJ-INIZCTEOSA-N 318.421 1.335 0 40 DDAB CC(=O)c1ccc(NCC(C)(C)N2CCS(=O)CC2)nc1 271359539 UOXLAVDTSGGBDD-UHFFFAOYSA-N 309.435 1.539 0 40 DDAB C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)S1=O 573505391 FCWAXFVYTLDDQA-GHMZBOCLSA-N 301.433 1.436 0 40 DDAB Cc1ccc(C)c(OCCCCC(=O)N2CCNC(=O)C2)c1 65591226 RKPGCIRTKZIBCS-UHFFFAOYSA-N 304.390 1.811 0 40 DDAB CCc1[nH]ncc1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 75602712 BXMZVEFKRRLICF-LBPRGKRZSA-N 302.382 1.658 0 40 DDAB CCS[C@@H]1CC[C@H](N(C)CC(=O)NC[C@H]2CCCO2)C1 245343836 VXVABHFRRQBWKJ-BFHYXJOUSA-N 300.468 1.888 0 40 DDAB O=S(=O)(N[C@H]1CCN(C2CCOCC2)C1)c1ccccc1 1251173600 JOADKBCATXLDQB-ZDUSSCGKSA-N 310.419 1.218 0 40 DDAB CCOc1nn(CC)cc1-c1nnc(SCC(C)=O)n1C 12422692 RRXUIBMYDYHRKG-UHFFFAOYSA-N 309.395 1.778 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)[C@H]2C[C@@H]2C)c1C 5701478 KZWQLMHDGATOER-AAEUAGOBSA-N 318.373 1.557 0 40 DDAB CSc1nnc(CCNC(=O)N2CCOCC2)n1C(C)C 5001742 NTVQPWSXTISSCB-UHFFFAOYSA-N 313.427 1.165 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2cccnc2)oc1=O 12115864 YOPGWYZPCONJST-VXGBXAGGSA-N 316.361 1.688 0 40 DDAB CN1C(=O)N(CC(=O)NC2CCCC2)c2cccnc2N1C 12145117 CXVSJFXMQKTFNQ-UHFFFAOYSA-N 303.366 1.363 0 40 DDAB CC(C)Oc1ccc(-c2noc(C(=O)NC[C@@H](C)O)n2)cc1 12407663 FQNJDWRAXGGVAI-SNVBAGLBSA-N 305.334 1.634 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)NCCn3cccn3)c2)n1 162200712 UCNJAFRLEUCEPS-UHFFFAOYSA-N 311.349 1.500 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169341510 IMUKUNYFDMSYGJ-CRWXNKLISA-N 301.298 1.482 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)n1 225403467 XYKRSLCOLQMSEZ-UONOGXRCSA-N 316.405 1.879 0 40 DDAB Cn1cnc(CN2CC[C@](O)(COc3ccc(F)cc3)C2)c1 643914929 ZJHMVYODAGGABP-MRXNPFEDSA-N 305.353 1.575 0 40 DDAB COC1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2C)CC1 13454929 GBQLBOPUTVYCGI-UHFFFAOYSA-N 313.375 1.493 0 40 DDAB COCCc1nsc(N2CC[C@H](C(=O)NC(C)(C)C)C2)n1 1889077253 VNGASAKFUKIYKG-JTQLQIEISA-N 312.439 1.468 0 40 DDAB c1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 1889168597 COMMMSPYINFIJV-UHFFFAOYSA-N 320.400 1.985 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 30677435 CTLBRCLMLKBINR-JTQLQIEISA-N 319.386 1.715 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)O)cc1 32229231 YGGWZEAKVMWBGI-LLVKDONJSA-N 313.375 1.713 0 40 DDAB COC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2C)nc1C 40460874 JFSBJALIYJVAKY-GFCCVEGCSA-N 302.378 1.957 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2CN(c3ccc(F)cn3)C[C@H]21 2087137600 VSIWRJXNNBAKHC-ZWNOBZJWSA-N 311.382 1.223 0 40 DDAB Oc1cc(N2CCN(c3cnc4ccccc4n3)CC2)nc(O)n1 1565519261 JGKAILBKBZGUHD-UHFFFAOYSA-N 324.344 1.158 0 40 DDAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCCC1 9727157 KJIUKVNMJGHITQ-UHFFFAOYSA-N 323.356 1.180 0 40 DDAB CCn1nnc2c(SCC(=O)NCc3ccco3)ncnc21 13532206 LXNNIUUEBPEFCE-UHFFFAOYSA-N 318.362 1.243 0 40 DDAB CC(=O)c1cc(C(=O)N2CCCC3(CCN(C)CC3)C2)n[nH]1 2055793346 RQHRURKVRHUOSV-UHFFFAOYSA-N 304.394 1.560 0 40 DDAB CN(C1CCN(c2ncccc2F)CC1)S(=O)(=O)C1CC1 2086889190 MLDPPKKHRYHNQW-UHFFFAOYSA-N 313.398 1.614 0 40 DDAB CC(C)(C)c1nccc(N2CCO[C@H](C(=O)NC3CC3)C2)n1 2086875452 IGKZDBPCSDYIJO-LBPRGKRZSA-N 304.394 1.258 0 40 DDAB COC(=O)C1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 10463370 ZVCCKQYTHATMSU-UHFFFAOYSA-N 318.373 1.218 0 40 DDAB O=C(COc1cccc[n+]1[O-])Nc1ccc2c(c1)OCCCO2 50511604 BGZGKYVXZZKXCY-UHFFFAOYSA-N 316.313 1.499 0 40 DDAB COc1ccc(NC(=O)c2nccnc2C(=O)O)cc1OC 156521 OFZODGUNISMZAK-UHFFFAOYSA-N 303.274 1.444 0 40 DDAB COCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(Cl)cc1 40466710 FOGURGZYWPWTEX-VIFPVBQESA-N 305.783 1.265 0 40 DDAB O=C(CCOc1cccc(F)c1)NCc1nnc2ccccn12 40498553 HELUOTJGRLNZNW-UHFFFAOYSA-N 314.320 1.954 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc2c(c1)OCCCO2 31394013 WTNPAPFTRJYSMW-LBPRGKRZSA-N 301.346 1.863 0 40 DDAB COc1cccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)O)c1 20319233 KMWQDCZCXXLRTQ-VIFPVBQESA-N 303.318 1.618 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)N(C)Cc2ccco2)c1 70039483 MXKRLVVZXSPGHB-OAHLLOKOSA-N 316.405 1.908 0 40 DDAB COC(=O)[C@H]1CCC(=O)N1CN(C(C)=O)c1ccccc1Cl 1650043 KNXINTKZSLUNCY-CYBMUJFWSA-N 324.764 1.814 0 40 DDAB C[C@H](CNC(=O)c1cnccn1)N1CCc2sccc2C1 31964701 ZMBAWKAEIHOLRW-LLVKDONJSA-N 302.403 1.715 0 40 DDAB CCCn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2 4383484 HQRGXNLWCBQAIW-UHFFFAOYSA-N 320.374 1.829 0 40 DDAB COc1ccc(C(=O)Nc2nc3nc(C)c(C)c(O)n3n2)cc1 101471766 SSPJIECNCLCDNM-UHFFFAOYSA-N 313.317 1.708 0 40 DDAB O=C(OCCO)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 51702374 KUXAKXJXNIEIPS-UHFFFAOYSA-N 308.284 1.788 0 40 DDAB COC(=O)CCCN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 32278354 FHEPVHSMANYKBH-UHFFFAOYSA-N 306.362 1.867 0 40 DDAB CC[C@H](C)n1[nH]cc/c1=N\C(=O)[C@H](C)OC(=O)C1=COCCO1 102391832 PCRPRTALUZZHPK-HMILLTCMSA-N 323.349 1.034 0 40 DDAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(N)=O 46979548 QABASLSUVHNBEN-QMMMGPOBSA-N 315.167 1.160 0 40 DDAB CN(C(=O)CN(C)S(=O)(=O)c1cccnc1)C1CCCC1 41788037 TXEGJPNREMHSRN-UHFFFAOYSA-N 311.407 1.103 0 40 DDAB COc1ccnc(NC2CCN(C(=O)c3ccoc3)CC2)n1 24207145 TWXYAZKOCUNVHW-UHFFFAOYSA-N 302.334 1.795 0 40 DDAB CC(=O)N(C)C1CCN(C(=O)NC[C@H]2CCN(C(C)C)C2)CC1 69487577 MZBMECMYEFHHJW-OAHLLOKOSA-N 324.469 1.369 0 40 DDAB COCCCNC(=O)CN(C)Cc1csc(-c2ccco2)n1 55505867 HLSONWQZXRVARN-UHFFFAOYSA-N 323.418 1.988 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 48129709 VKGNOUBXKCCWDU-DOMZBBRYSA-N 315.373 1.684 0 40 DDAB CCCn1cc(C(=O)OCC)c(S(=O)(=O)N2CCCC2)n1 57478187 WXNJRVQHKDPIAQ-UHFFFAOYSA-N 315.395 1.254 0 40 DDAB CC(C)OCCCNC(=O)c1cn(-c2ccc(F)cc2)nn1 57511479 CZOXDZHWWFVJPM-UHFFFAOYSA-N 306.341 1.951 0 40 DDAB Cc1cc(C)nc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1 35655078 AMVFSPVKLQGXLC-UHFFFAOYSA-N 319.386 1.647 0 40 DDAB Cc1noc([C@@H](C)Sc2nnc(SCC(N)=O)s2)n1 22831266 SPVXNUZEHFPCMA-SCSAIBSYSA-N 317.421 1.660 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 57975684 IZERFGRZPQMBGD-UWVGGRQHSA-N 324.299 1.445 0 40 DDAB CC[C@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)CCO1 44865816 BGDBYWVLXGYBIY-JTQLQIEISA-N 323.374 1.202 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@@H](C)Cn1cccn1 44954357 UHBLMXDNWXGWJH-LBPRGKRZSA-N 303.366 1.565 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(-n2cnnn2)cc1 58344066 PHCSBTIUXSDRGG-GFCCVEGCSA-N 301.350 1.161 0 40 DDAB CN1CCN(c2ncccc2CNC(=O)C[C@@H]2C=CCC2)CC1 58328909 RAOCJRXEAFABLW-OAHLLOKOSA-N 314.433 1.806 0 40 DDAB O=C(OCCCOC(=O)C1(O)CCCC1)C1(O)CCCC1 58502111 XDDIWIHPZZAVQC-UHFFFAOYSA-N 300.351 1.073 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)on2)cc1 45312536 LWTLOXARDNVFTR-UHFFFAOYSA-N 324.362 1.213 0 40 DDAB O=C1CN(C(=O)c2ccccc2COc2ccccc2)CCN1 28630885 VZUFZAJNCBTVAR-UHFFFAOYSA-N 310.353 1.838 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)OCC(O)=N2 71286304 HTLGGZBODHPFSC-VXGBXAGGSA-N 304.302 1.962 0 40 DDAB CCCCc1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1 69657749 KJWMGLCDQUDXQI-CYBMUJFWSA-N 304.398 1.916 0 40 DDAB O=C1NC[C@@H]2CN(Cc3cccn3Cc3cccs3)CCN12 91863971 BXZVAEIVQNNIRH-CQSZACIVSA-N 316.430 1.807 0 40 DDAB COC(=O)CCNC(=O)c1c[nH]cc1-c1cccc(OC)c1 69745016 TTYYKSSVEAFGSC-UHFFFAOYSA-N 302.330 1.983 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2N=C(N3CCOCC3)N=C2O)cc1 13736501 OLRGOJZSHFASLR-CYBMUJFWSA-N 316.361 1.351 0 40 DDAB CC(C)c1noc(CN(C2CC2)S(=O)(=O)c2cccnc2)n1 69779600 SVGVZZYDVIWUCD-UHFFFAOYSA-N 322.390 1.941 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)cc1C 65488343 JTPOVYBQSAMAIF-GFCCVEGCSA-N 324.406 1.352 0 40 DDAB CN1CCO[C@@H](CNC(=O)Cc2c(F)cccc2Cl)C1 65539719 OKENYDLDMBAGQV-JTQLQIEISA-N 300.761 1.468 0 40 DDAB CN(CCCN1CCCC1=O)Cc1nc(=O)c2ccccc2[nH]1 65552675 QRORZQPRAOOISJ-UHFFFAOYSA-N 314.389 1.367 0 40 DDAB C[C@H](OC(=O)c1c(F)cccc1F)c1nc(N)nc(N(C)C)n1 14182934 FHEKFMPYJAZABB-ZETCQYMHSA-N 323.303 1.716 0 40 DDAB CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)C[C@H]1CCOC1 65610149 MTSCAVWAZLFWGV-GFCCVEGCSA-N 316.423 1.388 0 40 DDAB Nc1nc(N)nc(COC(=O)C2(c3ccccc3)CCCC2)n1 14247149 VIRXHYXTRMYZLH-UHFFFAOYSA-N 313.361 1.591 0 40 DDAB COc1cccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 4674223 CHLHSHNLERJUFP-UHFFFAOYSA-N 306.347 1.092 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NC2=O 4826466 VZKBLAYUGSULAS-JTQLQIEISA-N 310.309 1.976 0 40 DDAB Cc1ccc(C[C@@H](C)NC(=O)NCCS(C)(=O)=O)c(C)c1 66598181 VOVUQACBLDFWFQ-CYBMUJFWSA-N 312.435 1.578 0 40 DDAB CCn1c(=O)c2c(nc3n(C(C)C)c(C)c(C)n23)n(C)c1=O 4940654 WWNFNEGXBRYQEI-UHFFFAOYSA-N 303.366 1.367 0 40 DDAB C[C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@H](C)O1 7777025 PLTOGLAOCJDKGK-RYUDHWBXSA-N 301.346 1.032 0 40 DDAB Cc1csc(SCC(=O)NC(=O)NCC(F)(F)F)n1 16865811 AYRSPBKDIJJUAJ-UHFFFAOYSA-N 313.326 1.932 0 40 DDAB C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)C(N)=O 19606105 ACFCHJBYDQDITH-GHMZBOCLSA-N 309.387 1.988 0 40 DDAB COCc1nc(C(=O)N2CCN(c3cnccn3)CC2)cs1 71830994 AGVVPGVMZGDDAU-UHFFFAOYSA-N 319.390 1.042 0 40 DDAB O=C(NCc1ccc(Cl)s1)N1CCS(=O)(=O)CC1 71803872 GYUSXXNKWCNXDE-UHFFFAOYSA-N 308.812 1.342 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)Oc1cccnc1)C2 72287277 ZJQKSYZXKYWLTB-OLZOCXBDSA-N 300.362 1.485 0 40 DDAB O=C(CCCc1ccccn1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269916 YRLMYZCLKYHLIV-DLBZAZTESA-N 317.433 1.462 0 40 DDAB COCc1noc([C@H](C)N2CCN(CC3CCCC3)C(=O)C2)n1 97086144 MZWUKVZSDVDYDK-LBPRGKRZSA-N 322.409 1.611 0 40 DDAB Cc1cc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)ncn1 97081340 OPWIUXAKJRRGDB-CQSZACIVSA-N 324.450 1.616 0 40 DDAB C[C@@H](O)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97081961 QJZPSLWRDWHLRH-BXKDBHETSA-N 303.280 1.986 0 40 DDAB C[C@@H](CNc1nc(N)c2ccccc2n1)CN1CCOCC1 97031861 OETZRMHVNHMFPC-LBPRGKRZSA-N 301.394 1.592 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNCc1c[nH]nc1C 97159966 DKQUCLBKXIVWMF-UHFFFAOYSA-N 308.407 1.057 0 40 DDAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCNC(=O)C1 97162071 BDPXBVYGXOHNMO-SNVBAGLBSA-N 307.398 1.149 0 40 DDAB CCc1nncn1CCNC(=O)NCc1csc(C(C)C)n1 72304199 STBIZPAGVQFVFK-UHFFFAOYSA-N 322.438 1.920 0 40 DDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)CSc1ccccc1 78652143 LHOYIORJVXTUGU-LLVKDONJSA-N 301.433 1.670 0 40 DDAB Cn1cc(CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)cn1 95463995 RLMZWAFAKWOFJH-CQSZACIVSA-N 319.336 1.304 0 40 DDAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCOCC1 22357258 MUKCJEKPOJOZCM-NSHDSACASA-N 300.366 1.591 0 40 DDAB CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1nc(O)[nH]c(=O)c1N 73793574 PUOINAYRWKQLOK-VHSXEESVSA-N 308.382 1.345 0 40 DDAB CCOC(=O)C1=C(C)NN2C(=O)c3ccccc3N[C@H]2S1 67172561 SHCYWDZAKJCIRP-CQSZACIVSA-N 305.359 1.884 0 40 DDAB Nc1ncc(C(=O)N[C@H](CO)Cc2ccccc2)cc1Cl 95981013 SRCPRXZAFSABAQ-LBPRGKRZSA-N 305.765 1.651 0 40 DDAB NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl 89091937 RLHSBSHNFMJOEG-LDYMZIIASA-N 306.790 1.885 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)Nn2cn[nH]c2=S)c1C 9908691 QQYSCCIOFHPJGI-UHFFFAOYSA-N 309.351 1.446 0 40 DDAB CS(=O)(=O)Cc1ccc(NC(=O)Cc2cccnc2)cc1F 89484360 GOGIHBSCCKXCPE-UHFFFAOYSA-N 322.361 1.947 0 40 DDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1)c1ccc(Cl)s1 89496827 WMSDWCIANLTAHD-IWSPIJDZSA-N 316.810 1.606 0 40 DDAB CNCC(=O)N1CC(c2cc(Nc3nccs3)nc(C)n2)C1 72383037 UMVCMFVERINSSD-UHFFFAOYSA-N 318.406 1.130 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 78447570 GPWMJEZTXKNPHM-DZGCQCFKSA-N 317.389 1.218 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1 33996843 LEVZRLNEOFUVRL-NWDGAFQWSA-N 324.402 1.079 0 40 DDAB O=C(CO)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 72354360 CATHEXZDKFXDQE-GFCCVEGCSA-N 313.361 1.314 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2CCO)n1 72360132 VCVZOBPXHFBTCR-CYBMUJFWSA-N 300.366 1.448 0 40 DDAB CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C2CC(=O)C2)CC1 566791327 XDNHCEZPBMIFCX-INIZCTEOSA-N 324.465 1.685 0 40 DDAB O=C(c1cnn2ncccc12)N1CC[C@H](n2cc(Cl)cn2)C1 565575385 FMAKYEJNRWOXEH-NSHDSACASA-N 316.752 1.666 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c1 40465570 MCGRUGTXTHMRAK-LBPRGKRZSA-N 306.362 1.374 0 40 DDAB O=C(O)CCCCCNC(=O)Cn1ncc2ccccc2c1=O 49550357 YIWFWJUAQAJRPO-UHFFFAOYSA-N 317.345 1.158 0 40 DDAB Nc1nnc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 222645471 GINHRMKAEVGXPE-JTQLQIEISA-N 324.431 1.689 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)n1 46087469 SWPUDMODKKJVHG-CHWSQXEVSA-N 319.361 1.751 0 40 DDAB C[C@@]1(C(=O)NC2CCSCC2)Oc2ccccc2NC1=O 40776480 DYELFXCDZIXSTL-HNNXBMFYSA-N 306.387 1.788 0 40 DDAB CC(=O)c1cccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c1 41670390 UKRXJPFOLSJVJM-UHFFFAOYSA-N 314.297 1.388 0 40 DDAB CC(C)N1CCC[C@H](Cc2ccc(NCC[S@](C)=O)nn2)C1 225459490 JQGWXVDJAOIBFZ-PEBXRYMYSA-N 324.494 1.930 0 40 DDAB Nc1ccc(NCCN2CCOCC2)c(C(=O)N2CCCC2)c1 225497525 FSNBRJKXLFPGEF-UHFFFAOYSA-N 318.421 1.249 0 40 DDAB C[C@H]1CCN(Cc2ccc(N3CCCC3)nc2)CCS1(=O)=O 192050063 YIAVSNOZTRPJOO-AWEZNQCLSA-N 323.462 1.691 0 40 DDAB c1cnc(NCc2n[nH]c3c2CCN(Cc2ccncc2)C3)nc1 96084118 YACXOTODWPLFMC-UHFFFAOYSA-N 321.388 1.765 0 40 DDAB O=C(CC(F)(F)F)N1CCc2onc(Cn3cccn3)c2C1 96084867 QKVQJIMYDFGDLP-UHFFFAOYSA-N 314.267 1.757 0 40 DDAB COCCC(=O)N1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 96201798 IMRLDZHVGFBDBE-MLGOLLRUSA-N 322.430 1.986 0 40 DDAB CN(C)CCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 96183642 INZCAPAZGOQJKV-SOUVJXGZSA-N 323.462 1.158 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N1CCC(O[C@@H]2CCOC2)CC1 96452811 XZQGTLZDPSNGFS-ZYHUDNBSSA-N 324.343 1.323 0 40 DDAB COC[C@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1C(C)C 96051776 LMYHGBPGQDYLQM-CYBMUJFWSA-N 304.456 1.157 0 40 DDAB O=C(C1CC=CC1)N1CC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 96219466 FLGGFBXUYHILPA-PBHICJAKSA-N 314.389 1.615 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccccn1)C2 96214954 IKJJQGLPCWSYJI-OAHLLOKOSA-N 323.418 1.112 0 40 DDAB CCCS(=O)(=O)N1C[C@H]2CC[C@@H]1[C@@H]2OCc1ccccn1 96253759 UERFCQGNVPXUPE-BPLDGKMQSA-N 310.419 1.801 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 96081370 GHXIRBHCSCZDLQ-NEPJUHHUSA-N 302.359 1.491 0 40 DDAB CCN1CCC[C@H]1CNS(=O)(=O)Cc1c(F)cccc1F 97102329 NKKAMSALRLOPOP-NSHDSACASA-N 318.389 1.869 0 40 DDAB COCCC(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 247888610 SKCUMRKFXMXBHQ-CQSZACIVSA-N 320.389 1.505 0 40 DDAB CCCCNC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 242430794 BJWVFXSEWQYYJH-UHFFFAOYSA-N 312.435 1.806 0 40 DDAB CN1C[C@@H]2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2 604381660 JTKHOBRHDFXFNC-CQSZACIVSA-N 315.408 1.265 0 40 DDAB biogenic,in-vitro COCC1(NC(=O)Nc2ccnn2C[C@H]2CCOC2)CCC1 252484631 GBTZIEUWFPTZDP-GFCCVEGCSA-N 308.382 1.610 0 40 DDAB Cn1nc(CCNC(=O)NCCC2(O)CCC2)c2ccccc21 252509533 YPIOSNYYNMDNJW-UHFFFAOYSA-N 316.405 1.720 0 40 DDAB Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)cn1 257256104 KKCCALIPDLIRTD-AWEZNQCLSA-N 320.418 1.757 0 40 DDAB CCS(=O)(=O)N1CCC[C@H]1c1cccc(CNC(C)=O)n1 257240497 HTTLRSNYDMHLQG-AWEZNQCLSA-N 311.407 1.204 0 40 DDAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(S(C)(=O)=O)C2 257309176 TZWBCYKETKCBDP-UHFFFAOYSA-N 319.390 1.241 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccccc2)n1 257210060 BSYSWGDHASNHBR-CQSZACIVSA-N 301.346 1.697 0 40 DDAB c1cnc(N2CCC3(CC2)C[C@@H](Cc2cnccn2)CO3)nc1 257337099 YRIQPGQTTLXVIY-CQSZACIVSA-N 311.389 1.885 0 40 DDAB C[C@H]1Oc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2NC1=O 252496919 PVCSWPTUJAKZQI-GHMZBOCLSA-N 324.402 1.969 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1CCCN[C@H]1C 343509353 IHMCMCDPKVDPMJ-LZWOXQAQSA-N 317.433 1.556 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@@H](c3nc(C)c[nH]3)C2)n1 257252965 JWYADRRYTCSBBL-LLVKDONJSA-N 303.366 1.612 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(N)COC 252515333 IVEIXUKTHAQUOL-YNEHKIRRSA-N 303.811 1.584 0 40 DDAB c1cn(-c2cncc([C@@H]3CCCN(Cc4cc[nH]n4)C3)n2)cn1 257200939 AFKDBPIPYSQKAD-CYBMUJFWSA-N 309.377 1.765 0 40 DDAB COc1c(C)cc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cc1C 262448220 QQZOGDKHEPEOHH-JTQLQIEISA-N 301.364 1.406 0 40 DDAB COCCC(=O)N1CCC2(CC1)CN(C)C[C@@H]2COCC1CC1 585102891 GXOPVFJWESJNCO-MRXNPFEDSA-N 324.465 1.620 0 40 DDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)N(C)C)[C@H]3OCC[C@H]32)cc1 585108901 CMPMSWXLWLGNIS-ZMSDIMECSA-N 316.401 1.242 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)/C=C/c1ccccc1 585287045 RIXJOUFSCWEWLZ-JBHXMTARSA-N 305.374 1.587 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(Cc2ncc[nH]2)CCO1 585277293 UAWKBFLMBNVPMZ-KRWDZBQOSA-N 301.390 1.524 0 40 DDAB Cc1c(C(=O)N(C)[C@@H]2CC[C@@H](O)[C@@H]2O)oc2c(F)cccc12 585269077 CAJWBSUGYNMSLR-JHJVBQTASA-N 307.321 1.837 0 40 DDAB OC[C@@]1(Cc2ccc(Cl)cc2)CN(Cc2cc[nH]n2)CCO1 585268959 FSERCMXOHRTMEB-MRXNPFEDSA-N 321.808 1.869 0 40 DDAB COCCN1C[C@H]2C[C@H]1C[C@H]2NC(=O)Cc1ccc(C)cc1 585110249 NJMLKQCUCSSHHS-IXDOHACOSA-N 302.418 1.763 0 40 DDAB COc1ccc(CCC(=O)NCCCCN2CCOCC2)cc1 48284695 QGNCBNMZXPOVKG-UHFFFAOYSA-N 320.433 1.856 0 40 DDAB NC(=O)COC(=O)c1cccc(-n2cc(Br)cn2)c1 49417193 BUFNHTPBPPCPKR-UHFFFAOYSA-N 324.134 1.277 0 40 DDAB C[C@H](OC(=O)C1=C(Cl)CCCC1)C(=O)N1CCNC1=O 54754794 BVIYLXSJQHPLJY-QMMMGPOBSA-N 300.742 1.537 0 40 DDAB CCc1nc(CN2CCN(C(=O)c3cc(C)no3)CC2)cs1 52965759 KTAKPNFHQPKZOU-UHFFFAOYSA-N 320.418 1.960 0 40 DDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CCCO1 69148597 KBVUADMSGNNRMG-NVXWUHKLSA-N 318.417 1.665 0 40 DDAB CC(C)Oc1ccccc1C(=O)NCC(=O)Nc1cn[nH]c1 69811259 DYFBIHYQIWNKKZ-UHFFFAOYSA-N 302.334 1.565 0 40 DDAB Cc1noc(C(C)(C)NC(=O)c2ccc3c(O)ncnc3c2)n1 1556578179 HJLIPRHNJNDIDU-UHFFFAOYSA-N 313.317 1.692 0 40 DDAB CC(C)[C@@H](Nc1nc(C2CC2)ns1)C(=O)N1CCOCC1 96486684 UICKTVCNJDZSRY-LLVKDONJSA-N 310.423 1.711 0 40 DDAB O=C1O[C@H](CO)CN1c1ccc(I)cc1 1420675 KECRHMULLZOXQY-VIFPVBQESA-N 319.098 1.609 0 40 DDAB in-vitro Nc1ccc(S(=O)(=O)N2C(=O)c3ccccc3C2=O)cc1 5741196 GHRXBSPKDNBOIU-UHFFFAOYSA-N 302.311 1.254 0 40 DDAB CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 5977712 ZFLMOVQZIICQNV-ZDUSSCGKSA-N 310.419 1.612 0 40 DDAB CCCn1c(SCC(=O)NC2CCC(C)CC2)n[nH]c1=O 13113231 GVIUQTMIYPHRFD-UHFFFAOYSA-N 312.439 1.768 0 40 DDAB CCC1=C(C(=O)OC)[C@H](c2cnn(C)c2C)n2ncnc2N1 17030781 FRZDMSXGXDBBKJ-LBPRGKRZSA-N 302.338 1.172 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 18110462 BTSSGKMKMDAVEG-UHFFFAOYSA-N 311.385 1.641 0 40 DDAB Cc1nc(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)nn1C 19867916 DJMZSEXVAPSXNV-JTQLQIEISA-N 306.374 1.161 0 40 DDAB COC[C@H](C)NC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193568 DKMAKXIIBIQGDS-JQWIXIFHSA-N 309.341 1.265 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3ccno3)C2)nc1 1889128230 MNTYAEREZYZZML-LBPRGKRZSA-N 301.350 1.514 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cnn(C)c2)C1=O 25307710 MPGFWHXPOKLRLS-NSHDSACASA-N 314.345 1.563 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[nH]cc1-c1ccccc1 32928410 KAPIAMPUDIWDQF-GFCCVEGCSA-N 304.371 1.599 0 40 DDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)CC1(O)CCC1 1614937457 LCORKQMFRLXFOI-GFCCVEGCSA-N 319.405 1.183 0 40 DDAB C[C@H]1CC[C@H](C(=O)N2CCc3nc(C(N)=O)sc3CC2)CC1 1565554766 ZMNUABOVRWRNNG-XYPYZODXSA-N 321.446 1.996 0 40 DDAB CCOc1ccc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)cc1 2711154 TWEPCIDFQGMOPO-JTQLQIEISA-N 322.386 1.514 0 40 DDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)cc1 4941441 HUGOQDLFNYQNPM-CYBMUJFWSA-N 322.336 1.566 0 40 DDAB CC(=O)Cn1cnc2c(nnn2-c2ccc(C)c(Cl)c2)c1=O 5057402 KZEBZJYVFDEQHV-UHFFFAOYSA-N 317.736 1.528 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(C(C)=O)cc1)OC 575613586 UGFSSOVXHKHTJY-CQSZACIVSA-N 315.391 1.219 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H](Cn2ccnn2)C(C)C)cc1 575616520 MVMNHOCLCNQHHS-AWEZNQCLSA-N 316.361 1.519 0 40 DDAB O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1cc(Cl)ccc1Cl 85468795 RWVHXGVXFCVOIG-QOSJWCAFSA-N 304.173 1.855 0 40 DDAB O=C(c1ccccc1Br)N1CCN(CCO)CC1 20174562 MKDKBHPMMKXPFK-UHFFFAOYSA-N 313.195 1.199 0 40 DDAB COc1ccc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F 40476618 ZOFGTWPZSZSOJQ-LLVKDONJSA-N 315.366 1.070 0 40 DDAB CCc1ccc(NC(=O)CS(=O)(=O)CCCC(=O)O)cc1 20376469 CFUPLSNORRRYGR-UHFFFAOYSA-N 313.375 1.467 0 40 DDAB COc1ccccc1-c1ccc(NC[C@@H]2COCCO2)nn1 67788162 MDZUPFUTXRKBGB-GFCCVEGCSA-N 301.346 1.980 0 40 DDAB Cc1ccc(-c2cnc(CCC(=O)NS(C)(=O)=O)o2)cc1C 40543958 WECHVBAITLVOKL-UHFFFAOYSA-N 322.386 1.967 0 40 DDAB Cc1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 59393055 HONPGDSTBPQIDV-ZDUSSCGKSA-N 310.419 1.043 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccc(NC(N)=O)cc1 69452374 APVXSLYTTXOSHJ-GXFFZTMASA-N 306.366 1.716 0 40 DDAB CN1N=C(C(=O)NCCc2ccc3ccccc3n2)CCC1=O 69461414 IMIQVQSFBDUXND-UHFFFAOYSA-N 310.357 1.502 0 40 DDAB CCOC(=O)[C@@H]1C(=O)C[C@H]2c3nc4ccccc4cc3CN2C1=O 1722627 HMPKMPLZVHVHOX-DZGCQCFKSA-N 324.336 1.770 0 40 DDAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccnn1C 20607948 QWVXLSNOGDZRKO-JTQLQIEISA-N 320.378 1.195 0 40 DDAB C[C@H](O)CN(C)S(=O)(=O)c1ccccc1Br 51820307 VACXSKDSLXSNPD-QMMMGPOBSA-N 308.197 1.450 0 40 DDAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 6946913 HAJQHJHISOOPFA-STQMWFEESA-N 312.435 1.967 0 40 DDAB CN1C[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)CC1=O 46179812 SAYBDKGWYBAQDU-OAHLLOKOSA-N 316.401 1.673 0 40 DDAB CC(C)N1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 108535027 MNIKAIBOYSRSHR-GJZGRUSLSA-N 307.369 1.544 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 101451280 ITENAFXBHSLJTK-XUXIUFHCSA-N 305.330 1.820 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C)CC2=O)c1C 46258529 DKHLIOQEXASLSA-ZFWWWQNUSA-N 316.401 1.904 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 102599046 CLGZTQDXVYJPLL-QHSBEEBCSA-N 320.389 1.541 0 40 DDAB Cc1nc2ccc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@@H]43)cc2s1 32912389 ZPJKOYWIEKHWIO-CABZTGNLSA-N 322.411 1.755 0 40 DDAB Cc1cccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)c1 9288430 CLRVOKSGSUXADY-WDEREUQCSA-N 308.359 1.008 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 22030247 DMUNWHNYOOHRBQ-AEFFLSMTSA-N 304.434 1.689 0 40 DDAB COc1ccccc1CNC(=O)COc1cc(C)c(C)nn1 69739390 SFMRTILRJSKFRG-UHFFFAOYSA-N 301.346 1.797 0 40 DDAB C[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCCCC2)CC1 69740251 PCOPETMRNBHXBY-GJZGRUSLSA-N 311.470 1.212 0 40 DDAB O=C(CCn1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116058 NBEPEYMCOYTXCM-ZDUSSCGKSA-N 311.349 1.303 0 40 DDAB COc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c1OCCO2 17326615 KPSGGHUKKBUISI-PHIMTYICSA-N 307.346 1.716 0 40 DDAB CN1N=C(C(=O)Nc2ccc(N3CCCC3)nc2)CCC1=O 22326809 UPKAYCIKDGTAAQ-UHFFFAOYSA-N 301.350 1.229 0 40 DDAB COCCN1CC2(CCC1=O)CCN(Cc1ccncc1)CC2 108525685 DDRXNJGVDTZOSS-UHFFFAOYSA-N 317.433 1.933 0 40 DDAB C[C@]1(C(=O)NCCn2cnnc2C2CC2)CC1(Cl)Cl 71911528 FTYXJIBSJAGXKP-LLVKDONJSA-N 303.193 1.856 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COCc1cccs1 24101830 GWBOYSQDBVEOIH-LBPRGKRZSA-N 323.414 1.945 0 40 DDAB C[C@@H](O)CNC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 47673760 SUUAIJGGQPMDGE-ZWNOBZJWSA-N 322.796 1.843 0 40 DDAB CC[C@@H](NC)c1cccc(S(=O)(=O)Nc2cnn(C)c2)c1 37683194 DUHKXUIIQMXCGF-CQSZACIVSA-N 308.407 1.891 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(C)C 24817899 FTAZYIWZUZURNL-DOTOQJQBSA-N 317.433 1.790 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)[C@H](C)c1ccncc1 106911411 JIHSVTQLWBVPKJ-QLFBSQMISA-N 320.437 1.893 0 40 DDAB C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 25501920 RJKOWZJDMAXEBR-ZDUSSCGKSA-N 317.389 1.473 0 40 DDAB Cn1ncc(N[C@H]2C[C@H]3CC[C@H]2O3)c(Br)c1=O 108104726 XWHIWTFNKLJZHZ-BKPPORCPSA-N 300.156 1.275 0 40 DDAB Cc1ccccc1-n1ccnc1SCCCS(N)(=O)=O 57745507 YRVVMRQDCQBFMF-UHFFFAOYSA-N 311.432 1.951 0 40 DDAB Cc1ccc(C)c(OC2CCN(CCC(=O)NC(N)=O)CC2)c1 58137188 ZOPDMGJAUVXGPE-UHFFFAOYSA-N 319.405 1.732 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58185850 LURIRXVXULRNGL-MRXNPFEDSA-N 321.352 1.365 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)o2)C1=O 408588509 BQWZCNIJZZFDDM-XYOKQWHBSA-N 312.281 1.924 0 40 DDAB O=C(CN1CCSC1=O)NC[C@@H](c1ccco1)N1CCCC1 10217986 VRHJBVXHRAKILT-LBPRGKRZSA-N 323.418 1.702 0 40 DDAB CCN(CC)C(=O)[C@@H]1C(=O)N[C@@]2(C)C[C@H]1c1ccccc1O2 2137244 IQBBFZAIYZOIHP-RVSPLBMKSA-N 302.374 1.883 0 40 DDAB biogenic Cc1cc(C(=O)NC2CCN(C(=O)c3cccnc3)CC2)no1 58215601 SOKRURJNQBOOFH-UHFFFAOYSA-N 314.345 1.413 0 40 DDAB O=C(NCCCn1cccn1)[C@H]1CC(=O)N(Cc2ccco2)C1 44911111 QEUCRMROWXSOCQ-ZDUSSCGKSA-N 316.361 1.031 0 40 DDAB C[C@@H]1CN(c2ccc(NC(=O)Cn3cccn3)cn2)C[C@@H](C)O1 44966838 QTRYKQBLYGMIOA-CHWSQXEVSA-N 315.377 1.530 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)[C@@H]1CCCO1 27866890 FAPKKUSVCSPLLF-AAEUAGOBSA-N 320.414 1.809 0 40 DDAB Cc1c([C@H](C)NC(=O)c2ccnc(-n3ccnc3)c2)cnn1C 58329065 WPBOYPMYOHLEBC-NSHDSACASA-N 310.361 1.800 0 40 DDAB CN1CCO[C@H](CNC(=O)CCOc2ccc(Cl)cc2)C1 58392827 ORJIRVCTKQWKMO-CQSZACIVSA-N 312.797 1.556 0 40 DDAB O=C(OCC(=O)N1CCCC1)c1cncc(Br)c1 3301082 LEANDTJCPHSWLM-UHFFFAOYSA-N 313.151 1.623 0 40 DDAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCO1 58407743 LBCDSXGSIDWHRM-INIZCTEOSA-N 304.390 1.314 0 40 DDAB CC1(C)NC(=O)N(CCOC(=O)c2cc3c(s2)CCC3)C1=O 28136952 PBPGHNUFHXEQPU-UHFFFAOYSA-N 322.386 1.724 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cc(Br)c[nH]2)CC1 48286187 BSCUTSVKFIKJOE-UHFFFAOYSA-N 314.183 1.472 0 40 DDAB Cc1csc(CCNC(=O)NCc2ccnc(N(C)C)c2)n1 48229756 KJQYBCWKOJJCLU-UHFFFAOYSA-N 319.434 1.954 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3486224 TZNDRVGTKBWJHO-ZDUSSCGKSA-N 321.352 1.408 0 40 DDAB CCc1cc(Nc2cnn(CC(N)=O)c2)nc(-c2ccncc2)n1 68668903 AAUXBZOUWKIZMT-UHFFFAOYSA-N 323.360 1.526 0 40 DDAB O=C(CSc1nnc(NC2CC2)s1)NC[C@@H]1CCCO1 8039860 QEEIHWDJINUAPZ-VIFPVBQESA-N 314.436 1.500 0 40 DDAB CC(C)NC(=O)CNC(=O)COc1ccc(F)c(Cl)c1 8099056 UROHTDAQSRDTFI-UHFFFAOYSA-N 302.733 1.499 0 40 DDAB CC(C)CCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 5272581 XIGSOJXPVUMYOO-UHFFFAOYSA-N 324.402 1.384 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4505373 SBCDLUNKMSYYAY-GFCCVEGCSA-N 317.432 1.275 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 69520326 KVVDSWFSFFCRMP-NWDGAFQWSA-N 310.394 1.235 0 40 DDAB CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 306135756 OZUIHJUWPTWSLK-WDEREUQCSA-N 315.352 1.403 0 40 DDAB CC(C)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 28296032 LPQCUZAQQNYTKT-UHFFFAOYSA-N 301.346 1.689 0 40 DDAB CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)N1CCCCC1 70011076 WMLVPAGTLHSEKG-HOTGVXAUSA-N 311.470 1.022 0 40 DDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](n2cccn2)C1 69349425 MHBIHAKUJNSMLD-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB NC(=O)c1cc(Cl)ccc1OCC(=O)NC[C@@H]1CCCO1 7022560 YRLKEEKVFKOSFW-JTQLQIEISA-N 312.753 1.113 0 40 DDAB CC(C)C(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306135223 OLGXIVWKGOKMKJ-GFCCVEGCSA-N 308.353 1.873 0 40 DDAB CN(C)C(=O)CN(C)C(=O)c1cccnc1N1CCCCC1 69815328 NFSOGKNZRUTDGN-UHFFFAOYSA-N 304.394 1.232 0 40 DDAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)N1CCOCC1 9609853 HSUPUWIJCWKEER-MRVPVSSYSA-N 324.431 1.613 0 40 DDAB Cc1ccnc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 89701906 QIPVBOZZZJJLLX-DLBZAZTESA-N 310.401 1.875 0 40 DDAB O=C(NCc1ccncc1)C(=O)Nc1cccc2ncccc12 9303170 GNTIGECGEZLUFX-UHFFFAOYSA-N 306.325 1.885 0 40 DDAB O=C(CN1CCC[C@H]1c1nnc2n1CCCCC2)NC1CC1 89819279 KJMITIKZRPKLDR-ZDUSSCGKSA-N 303.410 1.420 0 40 DDAB O=C([C@@H]1CCCN1C(=O)CC(F)(F)F)N1CCSCC1 84136608 LSQZPRJOHYHZOX-VIFPVBQESA-N 310.341 1.505 0 40 DDAB Cc1ccc(N2CCC(NC(=O)C3CCOCC3)CC2)nc1 96422399 FZQVHLUWVQDTIJ-UHFFFAOYSA-N 303.406 1.902 0 40 DDAB O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)[C@@H]1CCOC1 96453003 FMCSMZDLFQTWFA-GFCCVEGCSA-N 312.366 1.558 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H]1c1ccco1)C2 71860231 LDLIOOKUVGNXTI-OLZOCXBDSA-N 312.373 1.824 0 40 DDAB O=C(c1cn(-c2ccccc2)nn1)N1CCN2CCCC[C@H]2C1 71839817 ZMZQJRXVEMXVTD-HNNXBMFYSA-N 311.389 1.578 0 40 DDAB CNC(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 71850130 ZBXYIWHNLUGKNI-JTQLQIEISA-N 320.393 1.471 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c1 71869777 BOGJNRGFASDQDT-CQSZACIVSA-N 300.362 1.195 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc(C)nn2C)c1 71865976 PRDLTNAYMWDCMI-CQSZACIVSA-N 301.394 1.928 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@H](Cc1ccccc1)C1CCCC1 71886557 QAFUJPCFTQTGFI-SWLSCSKDSA-N 303.406 1.961 0 40 DDAB CN(C)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccn1 72234879 PXRVCSXTIDOUCD-ZDUSSCGKSA-N 300.366 1.216 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)NC[C@H](OC)c1ccccc1 72270058 RKKMUBNBKZEOJW-KBPBESRZSA-N 305.378 1.294 0 40 DDAB COc1cccc(CS(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 72287561 CKHKQINNPXWILF-UKRRQHHQSA-N 324.446 1.694 0 40 DDAB O=C(CCCNc1nccn2cnnc12)N1CCc2ccccc21 97020335 NFQUKTOVWUFSHB-UHFFFAOYSA-N 322.372 1.906 0 40 DDAB NC(=O)c1csc(CN2CCOCC3(CCOCC3)C2)c1 97108689 ZKBQNATYIXAYQW-UHFFFAOYSA-N 310.419 1.476 0 40 DDAB CCn1nc2c(cc1=O)CN(CCOc1cccc(F)c1)CC2 72302219 QNDNNZIZWPZFLA-UHFFFAOYSA-N 317.364 1.839 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1 97230046 PZCXVXMJGXLDGU-GLQYFDAESA-N 302.374 1.878 0 40 DDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc2ccccc2[nH]1 89942219 ZYYVUYFXMQOTHO-XDTLVQLUSA-N 315.377 1.448 0 40 DDAB C[C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCSCC1 95435578 PRSORINBONCPGT-UONOGXRCSA-N 320.462 1.214 0 40 DDAB CCc1nc([C@H]2CCCN2C[C@H](O)COCc2ccco2)no1 75581801 ODQMPJGUQCUODX-GXTWGEPZSA-N 321.377 1.940 0 40 DDAB CCOCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 76023260 IZFKFRRBSJUSOP-NWDGAFQWSA-N 300.399 1.833 0 40 DDAB Cc1nn(CC(F)F)c(C)c1S(=O)(=O)N1CCCCC1 95944553 PXGQNTHMHJOEPV-UHFFFAOYSA-N 307.366 1.940 0 40 DDAB CC(=O)N[C@H]1CCCN(CC(=O)N(C)C2CCC(C)CC2)C1 95951775 SREJLYYVYXAIGI-SIWZUTFBSA-N 309.454 1.624 0 40 DDAB CC(C)COC[C@@H](C)NC(=O)N1CCC2(CC1)OC[C@@H](C)O2 95960682 SKQXTTSSPWYBPV-ZIAGYGMSSA-N 314.426 1.985 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(CC)cc2)CC1 89284731 UIYLVESQCDGNLJ-QGZVFWFLSA-N 320.433 1.404 0 40 DDAB COc1ccc2sc(C(=O)NCc3n[nH]c(=O)[nH]3)c(C)c2c1 75093061 JTGZMXUZORRBQX-UHFFFAOYSA-N 318.358 1.560 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCN(C(C)C)C2)c(=O)[nH]1 75124393 WHFHATDTLFQPCG-CYBMUJFWSA-N 306.410 1.274 0 40 DDAB Cc1nc(C)c(NC(=O)COc2cccc(C(N)=O)c2)s1 75107219 WZMYIQPQUGXHBX-UHFFFAOYSA-N 305.359 1.876 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n[nH]1 78900694 PXOSBDNVYHNEDP-RYUDHWBXSA-N 320.393 1.174 0 40 DDAB CN1CCC(NCc2ccccc2CN2CCC[C@@H]2CO)CC1 120637099 XVUQFGODTKLGMK-LJQANCHMSA-N 317.477 1.827 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 31398952 DHQAEAQXGINLBQ-ZWNOBZJWSA-N 316.336 1.653 0 40 DDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709846 XYNGWUIZQSBRIK-UHFFFAOYSA-N 311.341 1.301 0 40 DDAB CC(C)Oc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)nn1C 71195875 BCGLQWAPJJQHNE-GFCCVEGCSA-N 317.393 1.748 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2ncc(Cl)cc2Cl)C1=O 183198077 GOKSGINOXCXBQU-LBPRGKRZSA-N 318.160 1.845 0 40 DDAB Cc1nc(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cn1C 189151263 FFXNSEIRWBYLMO-RYUDHWBXSA-N 314.455 1.127 0 40 DDAB COc1cc(C(=O)NC[C@H](C)O)cc(OC)c1Br 35116213 RBSPKRQSKJPKAI-ZETCQYMHSA-N 318.167 1.577 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@H]1c1ccccc1 72238029 UNBJQEILJSQWFQ-ZIAGYGMSSA-N 301.302 1.212 0 40 DDAB COCCNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217595983 YVJOMQWDJZIJBQ-UHFFFAOYSA-N 316.379 1.130 0 40 DDAB O=C(O)c1cn([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)nn1 567968885 DEAGZJJEDDKYBD-NWDGAFQWSA-N 322.365 1.099 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccsc2)C1 225808107 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Cn1cnc2c1C[C@H](COc1ncccn1)N(CC1CCC1)C2 585094956 WQDOYQGFAUVYSE-CQSZACIVSA-N 313.405 1.816 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)COc1ccccc1 53668625 OEPHMQFDUDWUIZ-NSHDSACASA-N 323.418 1.783 0 40 DDAB C[C@@H](C(=O)N1CCN(Cc2cscn2)CC1)n1ccnc1 55449875 NZEJPKZIGRJTCI-LBPRGKRZSA-N 305.407 1.245 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 63817868 BPEZCKSQDOHKSI-ZYHUDNBSSA-N 304.394 1.875 0 40 DDAB C[C@H](O)CN1CCN(C(=O)NCCCc2ccccc2)CC1 85466928 LXZALESZRMIYFS-HNNXBMFYSA-N 305.422 1.327 0 40 DDAB Cc1ccccc1-c1cc(NC(=O)[C@H]2CN(C)CCO2)[nH]n1 85516535 UHLAFVHBEAHJOX-CQSZACIVSA-N 300.362 1.654 0 40 DDAB COCCNC(=O)N1CCC(Oc2ncccc2Cl)CC1 96024844 KYFSWLDMNWSRRN-UHFFFAOYSA-N 313.785 1.934 0 40 DDAB C[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)Cn1cccn1 81487522 PZOZFQFIRNJJMN-JQWIXIFHSA-N 320.315 1.228 0 40 DDAB CCc1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)ncn1 592455188 KHUYRFYOLWAOMB-CYBMUJFWSA-N 304.394 1.114 0 40 DDAB CC(=O)Nc1nc([C@H]2CCCN2CC(=O)N2CCCC2)cs1 1615189478 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C[C@@H](CNC(=O)c1sccc1-n1cccc1)N1CCOCC1 29962396 RFISAVMLJHSLCD-ZDUSSCGKSA-N 319.430 1.989 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(CC3(O)CCCC3)CC2)n1 2087122909 GAHLTPQHOWHNHS-UHFFFAOYSA-N 319.453 1.278 0 40 DDAB CCSC1=NCCN1S(=O)(=O)c1ccc(OC)cc1 2711384 MIHLSGOIOVCBEP-UHFFFAOYSA-N 300.405 1.809 0 40 DDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC)c2ccccc21 3007557 WIQOGNZCRFAMHG-UHFFFAOYSA-N 315.373 1.438 0 40 DDAB O=C(NCc1ccccn1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4272554 OUKBQWDWEKCTHD-CQSZACIVSA-N 310.357 1.686 0 40 DDAB CC(C)CNC(=O)CNC(=O)Nc1ccc(-n2nccn2)cc1 50056319 OIIYJVISTFUBEO-UHFFFAOYSA-N 316.365 1.161 0 40 DDAB COc1ncccc1CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 30304735 JJAQWTAYIRHWKT-ABAIWWIYSA-N 321.402 1.160 0 40 DDAB COc1ccc(OC)c(CNC(=O)N2CCC(C(N)=O)CC2)c1 40493419 INMCKCQZCJXJCF-UHFFFAOYSA-N 321.377 1.111 0 40 DDAB O=C(CNS(=O)(=O)c1c(F)cccc1F)NC1CCCC1 8081123 MXTOZEKDQTXLSV-UHFFFAOYSA-N 318.345 1.302 0 40 DDAB COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1F 20461941 VSUYLPJGGBDMJH-UHFFFAOYSA-N 316.398 1.599 0 40 DDAB 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CC[C@@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CCO1 23190329 BBMHPRUUPAMHEV-GFCCVEGCSA-N 319.336 1.173 0 40 DDAB O=C1CN(C(=O)CNCc2cccs2)c2ccccc2N1 57541652 DUVKNRYDRYZJEG-UHFFFAOYSA-N 301.371 1.823 0 40 DDAB O=c1c2ccccc2cnn1C[C@H](O)COc1ccc(F)cc1 42756013 AQOHHFCFOVZNAK-AWEZNQCLSA-N 314.316 1.976 0 40 DDAB c1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2nc[nH]c2n1 55037003 ZXPHRPQADNPTPS-UHFFFAOYSA-N 310.365 1.663 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC 55048442 QFVKDKMHYKRMAQ-ZDUSSCGKSA-N 322.361 1.723 0 40 DDAB CC(=O)Nc1ccc(Sc2ccc3nnc(N)n3n2)cc1 24990850 DDVAGHQEXKJINC-UHFFFAOYSA-N 300.347 1.816 0 40 DDAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1C[C@@H](C)OC[C@@H]1C 106640054 HVUOHIQAXPETBK-BNWICZARSA-N 316.401 1.840 0 40 DDAB CC1CCC(NC(=O)[C@H](C)N2[C@H]3CC[C@H]2CC(=O)NC3)CC1 106924506 ZPHPHJRCXWTVMB-HAGFKGRBSA-N 307.438 1.423 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(C[C@H]2CCOC2)C1 107322756 TZRVIIVYPYUUDY-HIFRSBDPSA-N 319.453 1.235 0 40 DDAB CN(C)c1c(Cl)cccc1NC(=O)NC[C@H]1COCCO1 56628205 SPJTVAWLFOFXQN-JTQLQIEISA-N 313.785 1.943 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 1678266 LYMTYKMJFYZNBN-CYBMUJFWSA-N 320.345 1.077 0 40 DDAB Cn1cc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cn1 61719829 LDYQSEAOOVJTOL-UHFFFAOYSA-N 315.358 1.344 0 40 DDAB C[C@@H](OC(=O)c1ccc(C(F)(F)F)nc1)C(=O)NC1CC1 26435409 URRWEDLOEZJROY-SSDOTTSWSA-N 302.252 1.924 0 40 DDAB Cc1nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2nc1C 57794594 AJROQSKLYPZWSB-UHFFFAOYSA-N 319.386 1.117 0 40 DDAB COCCOCCC(=O)NC1CCN(c2ccccc2)CC1 58177928 RRESPXHJZWRMIF-UHFFFAOYSA-N 306.406 1.825 0 40 DDAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc(F)cc1 58210170 QKVTUSIMHRQMJJ-UHFFFAOYSA-N 312.341 1.276 0 40 DDAB COC(=O)N1CCCN(C(=O)Cc2ccccc2OC)CC1 58283403 CTGLLQYDIHBKKS-UHFFFAOYSA-N 306.362 1.538 0 40 DDAB O=C(Cn1c(-c2ccccc2)noc1=O)NCC(F)(F)F 58222770 DPLCYIYGVYPDRW-UHFFFAOYSA-N 301.224 1.182 0 40 DDAB C[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)S(C)(=O)=O 44936659 AMJRYKGZOXHYJA-NEPJUHHUSA-N 321.402 1.483 0 40 DDAB O=C(CCNC[C@@H]1CNc2ccnn2C1)NCc1ccccc1 58313622 ZCBZVINKUDNBCD-OAHLLOKOSA-N 313.405 1.221 0 40 DDAB Cc1noc2ncc(C(=O)N3CCCC[C@H]3CC(N)=O)cc12 58406429 IFJKPXRVXXUTKZ-NSHDSACASA-N 302.334 1.401 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCN1CCO[C@H](Cn2cncn2)C1 70038565 WDTXTQQVNXBWOA-OWCLPIDISA-N 308.426 1.574 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2CCN(C(N)=O)CC2)n1 48406887 IXUCBINZDGMFFK-LLVKDONJSA-N 321.425 1.043 0 40 DDAB COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 48469176 NIZMCKRZUNMRFE-SECBINFHSA-N 318.782 1.657 0 40 DDAB COCCN1CCC(CNC(=O)Cc2cccc(OC)c2)CC1 38582859 PUQCYCNTMZZVPP-UHFFFAOYSA-N 320.433 1.712 0 40 DDAB Cc1cnn(C[C@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 69490074 UIXGMZUKYICFET-ZDUSSCGKSA-N 307.419 1.773 0 40 DDAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 69698425 AIPPAQCWGFVVQR-AWEZNQCLSA-N 310.781 1.718 0 40 DDAB CCc1nc(CCNC(=O)[C@H]2CC(=O)N(CC)C2)sc1C 69566829 JVKBSGJSWQKKDX-NSHDSACASA-N 309.435 1.541 0 40 DDAB Cc1cc(C)cc(OC[C@H](O)CN[C@@H]2CCc3ncnn3C2)c1 69769931 UQIRLYVGFQRARI-HUUCEWRRSA-N 316.405 1.239 0 40 DDAB COc1cccc(S(=O)(=O)CCN2CCOCC2(C)C)c1 69531120 YWTQGFYWSJWTCF-UHFFFAOYSA-N 313.419 1.580 0 40 DDAB Cc1ncc(C(=O)NCCNC(=O)Cc2ccccc2)s1 65402250 ONAYMHZRCNMWFU-UHFFFAOYSA-N 303.387 1.540 0 40 DDAB COc1ccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)N(C)C)cc1 65415391 HONXRQPGBBYOFW-IUODEOHRSA-N 317.393 1.267 0 40 DDAB O=C(CCCCN1CCOCC1)Nc1ccc2c(c1)OCCO2 65542031 LUFUWOOYOOZHQS-UHFFFAOYSA-N 320.389 1.899 0 40 DDAB O=C(CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCC1 14333060 BYCYWQPJYGCPID-UHFFFAOYSA-N 314.271 1.177 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2nnc(-c3ccccn3)[nH]2)cn1 66046502 DLEORCZFNYQNNE-GHMZBOCLSA-N 309.333 1.342 0 40 DDAB c1ccc(-c2nccc(N3CCO[C@@H](Cn4cncn4)C3)n2)cc1 69810476 IFWIDZTXCDURAA-OAHLLOKOSA-N 322.372 1.641 0 40 DDAB NC(=O)[C@H](Sc1nnnn1C1CCOCC1)c1ccccc1 69973575 NVMCIFCJUCJORG-GFCCVEGCSA-N 319.390 1.343 0 40 DDAB CCc1ncc(C(=O)N2CCCN(c3cccnn3)CC2)s1 69948840 NGIKPLGVJPNOPQ-UHFFFAOYSA-N 317.418 1.848 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@H]1CCCO1 69970563 FWKBYGBECWIPPX-LLVKDONJSA-N 300.305 1.822 0 40 DDAB O=C(C[C@@H]1NCCNC1=O)Nc1cc(Cl)cc(Cl)c1 5995919 FIBIBAITWGRILM-JTQLQIEISA-N 302.161 1.410 0 40 DDAB COC(=O)c1ccccc1OS(=O)(=O)c1c(C)noc1C 16089491 XWYAIIBRXMCRGB-UHFFFAOYSA-N 311.315 1.846 0 40 DDAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 8944900 RXTSETJBUHRCAG-UHFFFAOYSA-N 318.398 1.915 0 40 DDAB C[C@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)CC1 68819459 KFDJNYOBFGLWCG-ZDUSSCGKSA-N 304.390 1.742 0 40 DDAB C[C@@H](C(=O)O)S(=O)(=O)Cc1ccc(Br)cc1 19519522 RZRPIXOYOQYLCN-ZETCQYMHSA-N 307.165 1.837 0 40 DDAB COc1cccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)c1 9604979 WBSVRCYYTSVQMB-UHFFFAOYSA-N 320.370 1.273 0 40 DDAB COc1cc(Br)ccc1CN1CCO[C@@H](CO)C1 96005930 RLGLBBYNAQVNKY-GFCCVEGCSA-N 316.195 1.651 0 40 DDAB Cc1nc([C@H]2CCCN(c3c(C)c(C)nc4ncnn34)C2)no1 76050227 UGPJXWHXNCFORP-LBPRGKRZSA-N 313.365 1.817 0 40 DDAB CCc1nnc(NC(=O)c2ccc(CNC(C)=O)cc2)s1 9749999 ZANMUEUTOOXUDX-UHFFFAOYSA-N 304.375 1.989 0 40 DDAB CN(C)c1ncccc1CNC1=NS(=O)(=O)c2ccccc21 76721410 GLUPTDSUZYFCIH-UHFFFAOYSA-N 316.386 1.386 0 40 DDAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(=O)[nH]c1 71890123 ONSFIKCGYBTXQF-NSHDSACASA-N 321.377 1.456 0 40 DDAB COc1cccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 71829714 XQJGSIALSUTHQO-JSGCOSHPSA-N 304.390 1.740 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)NC[C@@H]2CCCO2)no1 72280242 CEJBHSWBZOQNQJ-NWDGAFQWSA-N 308.382 1.064 0 40 DDAB CC(C)C(=O)N1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 72274805 BSKWGFODACDKPG-OAHLLOKOSA-N 303.406 1.450 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@H](n2cncn2)C1 72235040 DIJRJHGXTWABPS-CABCVRRESA-N 319.409 1.233 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CN2CCCC2=O)n1 72279926 GMBBZRAYHGDKHH-OAHLLOKOSA-N 318.421 1.503 0 40 DDAB Cc1cccc2nc(C[S@@](=O)CC(=O)NCC(C)C)cn12 97083704 MUBCTFOXJNASJO-NRFANRHFSA-N 307.419 1.664 0 40 DDAB C[C@H](O)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 97083396 YHFBOXNNACEBTR-JOYOIKCWSA-N 303.280 1.986 0 40 DDAB C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCOC(C)(C)C1 97164798 MFOAUEPGUBABPH-LLVKDONJSA-N 320.393 1.430 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3cn[nH]c3)CC2)on1 97203585 LJLJTWDMBVOWSP-LLVKDONJSA-N 303.366 1.913 0 40 DDAB O=C(NC[C@@]1(CCO)CCOC1)c1cc(F)c(F)c(F)c1 84335097 YACQPUPYXNAZAQ-CQSZACIVSA-N 303.280 1.623 0 40 DDAB O=C(CCCc1nc(C2CC2)no1)Nc1ccnc2ccnn12 95399743 TVKWKRIYIHKMQS-UHFFFAOYSA-N 312.333 1.951 0 40 DDAB COC[C@H](C)NC(=O)CN1c2ccccc2N(C)CC[C@H]1C 95412426 MPXXQNDQPAGJTI-UONOGXRCSA-N 305.422 1.873 0 40 DDAB CCn1nc(C)cc1C(=O)N(CC(=O)O)Cc1ccccc1 89300356 UCMMXDOSRRFAMS-UHFFFAOYSA-N 301.346 1.938 0 40 DDAB CN(CCO)C1(CNC(=O)NCC(F)(F)F)CCCCC1 75139417 ICZQUFRDPZZUOA-UHFFFAOYSA-N 311.348 1.475 0 40 DDAB COc1ccccc1[C@H](C)NC(=O)CNCCn1cccn1 75133254 YXDGMZCLSNRLTF-ZDUSSCGKSA-N 302.378 1.359 0 40 DDAB Cc1nn(-c2ccc(C(=O)N(C)CC(N)=O)cc2)c(C)c1Cl 60565259 WPQPKASVWBSPHT-UHFFFAOYSA-N 320.780 1.700 0 40 DDAB CCc1ccnc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 181764834 NVAXUYCKSGJDKA-UHFFFAOYSA-N 324.384 1.637 0 40 DDAB CN1C(=O)C[C@@H](C(=O)NCCn2cccc2)[C@@H]1c1ccccc1 524733379 MKCXJTYQEUAZSS-WBVHZDCISA-N 311.385 1.824 0 40 DDAB CN1CC[C@H](N2C[C@@H]3C[C@H]2CN3C(=O)C23CCC(CC2)C3)C1=O 1032478422 HXBZJFFPJOMJOL-ZQYVVYLISA-N 317.433 1.083 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)CO 218415073 ZVOWQZRRRJGKPV-YNEHKIRRSA-N 303.811 1.178 0 40 DDAB NC(=O)c1coc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 187989489 LFMPSBAIYXPEHV-MLGOLLRUSA-N 321.377 1.215 0 40 DDAB COCCN1Cc2cc3cc(OC)ccc3nc2OCC1=O 72346409 ZIERBWDHNMCHAT-UHFFFAOYSA-N 302.330 1.611 0 40 DDAB CCOC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 42702439 BDHUBLHEIIZROZ-UHFFFAOYSA-N 321.782 1.532 0 40 DDAB O=C(c1cc2cc(Br)ccc2oc1=O)n1cncn1 31904095 SSEJSJPNSFRMEK-UHFFFAOYSA-N 320.102 1.836 0 40 DDAB O=C(NC1CCOCC1)[C@@H]1CN(c2cccc(F)c2)CCO1 72352794 LZZWCPWEHPNEMB-HNNXBMFYSA-N 308.353 1.326 0 40 DDAB O=C(Cc1n[nH]c2ccccc12)NCCCOC[C@@H]1CCCO1 79050039 QEAQKBHJAYXHMF-ZDUSSCGKSA-N 317.389 1.807 0 40 DDAB CCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(C)n1 49404635 ZSZPHPPQPVWWJU-UHFFFAOYSA-N 315.329 1.482 0 40 DDAB CNC(=O)[C@@H](C)Oc1nn(C)c2ccc(Br)cc12 226754636 ZUZGYAXQMAQDIO-SSDOTTSWSA-N 312.167 1.849 0 40 DDAB COc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224076236 XXJKLOHMPDIUEU-UHFFFAOYSA-N 303.318 1.772 0 40 DDAB O=C(O)[C@@H]1C[C@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058310 UDJQTENOUCHAHR-OXMMTESCSA-N 307.390 1.639 0 40 DDAB CCn1ncc2c1CN(C(=O)c1cscn1)C[C@@H]2COC 96044573 RLSWHXXYMIIIJD-SNVBAGLBSA-N 306.391 1.746 0 40 DDAB c1cnc(N2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)nc1 96042166 QYPPYWPICQIWTQ-HRCADAONSA-N 312.373 1.825 0 40 DDAB CN1C[C@@H](NC(=O)N2CCc3c(F)cc(F)cc3C2)CCC1=O 96477168 HAEMGCWOFSWZRW-LBPRGKRZSA-N 323.343 1.653 0 40 DDAB C[C@](Br)(C(=O)c1cccc(N)c1)S(C)(=O)=O 96518597 NFXLXZUCJJFQQR-SNVBAGLBSA-N 306.181 1.607 0 40 DDAB Cn1cc(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)cn1 96192259 JEQOYHROXBRKPB-JTQLQIEISA-N 302.309 1.551 0 40 DDAB N[C@H](CCCNC(=O)OCc1ccccc1Cl)C(=O)O 98044049 TWPRGWUUQAAZHW-LLVKDONJSA-N 300.742 1.758 0 40 DDAB CN(C)C(=O)[C@@H]1CCN(C(=O)Nc2cccc(C3CC3)n2)C1 333949047 WWXKMPRESDEQPG-GFCCVEGCSA-N 302.378 1.901 0 40 DDAB CCc1n[nH]c(CN2CCCN(C(=O)c3ccncc3)CC2)n1 97096284 OWAHUSKLZXUMRK-UHFFFAOYSA-N 314.393 1.110 0 40 DDAB O=C(c1ccno1)N1CCc2ncnc(-c3cccnc3)c2CC1 96255323 AAIRQEIYAOIPLD-UHFFFAOYSA-N 321.340 1.768 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ccncc3Cl)CC2)on1 95437755 XXQMSRDABYFJNJ-UHFFFAOYSA-N 306.753 1.994 0 40 DDAB Cn1cc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cn1 245266196 JCSPFTKWVWFTFV-MJBXVCDLSA-N 305.378 1.597 0 40 DDAB O=C(CN1Cc2cncn2[C@@H](COCC2CC2)C1)N1CCCC1 247759124 GGDVDDNCIQGEQM-MRXNPFEDSA-N 318.421 1.289 0 40 DDAB COc1ccccc1[C@@H]1CN(Cc2ccn(C)n2)CCN1C 257214008 CKCAMNJYYWMGKW-INIZCTEOSA-N 300.406 1.917 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2cnc(C)nc2)CCO1 257313837 UUHHXGQMVDRNTN-ZDUSSCGKSA-N 300.366 1.190 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)c2cn(C)nc2C)cc1 257203472 AQFKXFMWRKFWEP-INIZCTEOSA-N 314.389 1.524 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)ncn1 257293843 QRKGVUBULJPCPJ-OAHLLOKOSA-N 313.361 1.049 0 40 DDAB O=C(Cc1ccsc1)N1CCOC[C@H](Cc2ccncn2)C1 257216485 CURINGOBDMRITR-CQSZACIVSA-N 317.414 1.798 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@H]3CNCC[C@H]32)c(=O)n1C 257239486 HPLXGGDKJONGPX-DZGCQCFKSA-N 303.406 1.298 0 40 DDAB CN(C(=O)CCN)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257306149 STDICFHSNLWKQL-YCPHGPKFSA-N 310.369 1.294 0 40 DDAB CN1CCN(CC(=O)N2CCCCC2)C[C@H]1c1ccccc1 257263125 LONPOPNYYOXSQY-KRWDZBQOSA-N 301.434 1.988 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 257324364 WOJWZFJQPIRQSP-GFCCVEGCSA-N 315.377 1.528 0 40 DDAB CCn1cc(C(=O)N2CCO[C@H](c3ccncc3)C2)c(C)n1 257263228 LOYWFSVTLNOUQZ-HNNXBMFYSA-N 300.362 1.820 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257223535 DXUVJGQZAIBVHF-GFCCVEGCSA-N 300.362 1.908 0 40 DDAB Nc1cccc(C(=O)N2CCNC[C@H]2c2cccc(F)c2)n1 262076586 XHFKMMNXNYIMRL-AWEZNQCLSA-N 300.337 1.590 0 40 DDAB CCOC1CC(O)(CNC(=O)Nc2cc(C)cnc2OC)C1 278255452 WLJYTTKAMGBHAR-UHFFFAOYSA-N 309.366 1.450 0 40 DDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)N(C)C)[C@@H]3OCC[C@@H]32)cc1 585108902 CMPMSWXLWLGNIS-ZOBUZTSGSA-N 316.401 1.242 0 40 DDAB 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CCO[C@@H]1COC[C@H]1NCc1ccc(-n2cncn2)c(C)c1 571154091 IMFCBFLUIQZHJM-GDBMZVCRSA-N 302.378 1.469 0 40 DDAB Cn1ccnc1CN1CCC(NC(=O)c2ccsc2)CC1 195515208 YFEBAGHQQWAEAC-UHFFFAOYSA-N 304.419 1.876 0 40 DDAB O=C(NCc1ccccc1F)C1CCC(Cn2cnnn2)CC1 40286639 OFOVNTMHWIHJKT-UHFFFAOYSA-N 317.368 1.935 0 40 DDAB Cn1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1=O 46973475 UWHSLVRRAVTQCI-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCC[C@@H]1S(C)(=O)=O 96461174 AMPLOGWNWONQNN-NEPJUHHUSA-N 316.810 1.773 0 40 DDAB COc1ccc(CC(=O)N2CC[C@H](OC)[C@H]3OCC[C@@H]32)cc1 96217774 WOXQGLSJHGHZTG-ZOBUZTSGSA-N 305.374 1.643 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)Cc1cccs1)CC2 96206582 MNSYHHWVQGWIRD-CYBMUJFWSA-N 322.430 1.292 0 40 DDAB CC(C)C[C@@H](CN)NS(=O)(=O)c1cccc2ncccc12 97229347 WLONVCNBOZGTTQ-LBPRGKRZSA-N 307.419 1.887 0 40 DDAB CC(=O)NCCCNC(=O)N1CC[C@H](Cc2ccccc2)C1 96437591 GUDZHGKJCWWXOA-MRXNPFEDSA-N 303.406 1.787 0 40 DDAB C[C@H](Cc1cccs1)N(C)c1ncc(S(N)(=O)=O)s1 95429676 QBVVTSPCLVOGAG-MRVPVSSYSA-N 317.461 1.919 0 40 DDAB O=C(c1ccco1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96245894 KYWJRMCGPHQEDO-KGLIPLIRSA-N 311.341 1.690 0 40 DDAB CSCC[C@H](Nc1nc(Cl)nc2[nH]cnc12)C(=O)O 95480934 RTZUYATYVQVRPC-YFKPBYRVSA-N 301.759 1.625 0 40 DDAB O=C(c1ccncc1)N1CCc2ncnc(NC3CC3)c2CC1 96255478 UCPXBMBXJGFDBB-UHFFFAOYSA-N 309.373 1.687 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCC(O[C@H]2CCOC2)CC1 96452812 XZQGTLZDPSNGFS-JQWIXIFHSA-N 324.343 1.323 0 40 DDAB CC[S@](=O)CC(=O)NCC1(c2ccccc2)CCOCC1 96475575 AWZWCTKDNNNEAV-OAQYLSRUSA-N 309.431 1.620 0 40 DDAB COc1ccc([C@@H](NC(=O)CNC(C)=O)C(F)(F)F)cc1 97236066 PVNFVGOHBUIVNE-GFCCVEGCSA-N 304.268 1.551 0 40 DDAB CC(C)Cn1ncnc1CN1CCN([C@@H]2CCCN(C)C2)CC1 96497121 JJWLIWLKFDZRNC-MRXNPFEDSA-N 320.485 1.146 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](N)[C@H]1c1ccc(Br)cc1 242701958 WUZBETBPAMOOCP-MXWKQRLJSA-N 304.209 1.677 0 40 DDAB O=C(CCn1cnnn1)Nc1nc(-c2cccs2)cs1 524733368 LXDNETKKUNIYDR-UHFFFAOYSA-N 306.376 1.887 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cccnc2)c1 257221253 DODAFLAYTFXLDI-KRWDZBQOSA-N 310.401 1.588 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cn1 257281710 OQPHGLXJNVYSKK-RBSFLKMASA-N 300.362 1.471 0 40 DDAB CCS(=O)(=O)CCNC(=O)C1(c2cccc(Cl)c2)CC1 68058549 BQRODUDWIURGLR-UHFFFAOYSA-N 315.822 1.923 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2cc3cccc(F)c3[nH]2)CCO1 257241276 HXKGTUYAFBZUIR-INIZCTEOSA-N 319.336 1.284 0 40 DDAB CN1CCC[C@@H](Cc2nccnc2N2CCC(O)CC2)CC1 257339451 ZBUPGVPIDQBZCB-CQSZACIVSA-N 304.438 1.712 0 40 DDAB CC(C)(C)OC(=O)N1CCNC[C@@H](COc2ncccn2)C1 257219781 DICJHWADWLOAEY-GFCCVEGCSA-N 308.382 1.312 0 40 DDAB Cc1nc2ccc(C(=O)N3CC[C@@](O)(CN(C)C)C3)cc2[nH]1 257235171 GWTGRZOZDYSRIJ-MRXNPFEDSA-N 302.378 1.010 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(O)n1 390834254 VFNYABOQLKEMFK-UHFFFAOYSA-N 308.315 1.595 0 40 DDAB COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1ccc(OC)nc1)C2 390833188 DFWABWNMIISCJR-XJKSGUPXSA-N 306.362 1.102 0 40 DDAB Cc1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)n(C)n1 585150181 BZPNFELNDQZWOV-UHFFFAOYSA-N 313.361 1.180 0 40 DDAB NC(=O)CN(Cc1nc(Cc2ccccc2)no1)C1CCCC1 52826668 BXSDLSYZNPQVLX-UHFFFAOYSA-N 314.389 1.890 0 40 DDAB Cc1cc(C(=O)N2CCN(CC(C)(C)O)CC2)c2[nH]ncc2c1 69952201 MHVYTFWJUUIMCA-UHFFFAOYSA-N 316.405 1.400 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cc(C)cn1 71869924 CCEUMVJXBCRJPS-KBPBESRZSA-N 321.425 1.410 0 40 DDAB COc1ccc(-n2cc(CNC(=O)N(C)C3CC3)nn2)cc1 88621399 IOTINYKNEPSKMV-UHFFFAOYSA-N 301.350 1.580 0 40 DDAB CNC(=O)CN(C)C[C@H](O)c1ccc(Br)cc1 78441381 ICNGVIOSFKTVQZ-NSHDSACASA-N 301.184 1.160 0 40 DDAB COC[C@H](C)NC(=S)N1CCc2cc(OC)c(OC)cc2C1 5389467 SRLPCVWMAYFUAX-NSHDSACASA-N 324.446 1.971 0 40 DDAB O=C(CN1CCC(n2c(=O)oc3ccccc32)CC1)NC1CC1 12184672 NBOMVKYYVRZFAX-UHFFFAOYSA-N 315.373 1.510 0 40 DDAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 16610289 XSBBWGOSGLQEIH-JTQLQIEISA-N 314.407 1.474 0 40 DDAB CN1C(=O)N(C)C2(CCN(C(=O)c3ccccc3)CC2)C1=O 16849905 GYFFWONYTMYTBT-UHFFFAOYSA-N 301.346 1.185 0 40 DDAB CCc1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 17055237 JIBXFNHOEJZNFZ-IWDIQUIJSA-N 320.370 1.118 0 40 DDAB O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1ccccn1)CC2 19401866 IAGRINKWGLQQII-UHFFFAOYSA-N 320.356 1.180 0 40 DDAB COC(=O)C1CCN(C(=S)NC(=O)c2cccc(C)c2)CC1 226349944 GDNWGZRKYKXCKY-UHFFFAOYSA-N 320.414 1.895 0 40 DDAB Cc1ccccc1OCC(=O)N[C@H](Cn1nccn1)C(C)C 238908910 SBAFEROBUOHIPU-CQSZACIVSA-N 302.378 1.806 0 40 DDAB COC[C@@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)OC 575610781 AELSGAFDQWGPDT-QGZVFWFLSA-N 321.417 1.903 0 40 DDAB CSc1ccccc1C(=O)OCC(=O)NC(=O)NC(C)C 3420659 QCLQQORCEBNGNT-UHFFFAOYSA-N 310.375 1.800 0 40 DDAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)NC(C)C 6949210 PBOSTSLHWAFFFK-UHFFFAOYSA-N 307.394 1.480 0 40 DDAB C[C@@H](OC(=O)c1cc(Br)ccc1O)C(=O)N(C)C 6988202 ZMRCRXTZIHGSCY-SSDOTTSWSA-N 316.151 1.788 0 40 DDAB Cc1cc(C)nc(N2CC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 1888844222 DIEJCAQDJZBTBG-GFCCVEGCSA-N 310.423 1.096 0 40 DDAB NC(=O)C1CCN(C(=O)CCCc2nc3ccccc3[nH]2)CC1 29053527 UVALNRNOFKUUEG-UHFFFAOYSA-N 314.389 1.610 0 40 DDAB COc1cnc(C(=O)N2CCCC3(CCN(C)CC3)C2)nc1 816563214 OECSQAKVWWHQQK-UHFFFAOYSA-N 304.394 1.433 0 40 DDAB COc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1OC 63219 ZBHIECMSSHOYOF-UHFFFAOYSA-N 319.342 1.686 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccccc1 37310 NVJAHKFPABGDEW-CQSZACIVSA-N 304.346 1.582 0 40 DDAB CCOC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1 14775799 APEOYHMMWLHUAL-UHFFFAOYSA-N 324.285 1.639 0 40 DDAB biogenic CCC(=O)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771887 GWDXTITYGDJFMB-MRXNPFEDSA-N 304.394 1.137 0 40 DDAB CC(=O)N1CCC2(CCC(=O)N2Cc2cccc(C)n2)CC1 2055819398 FZGFVJPAQIOEEZ-UHFFFAOYSA-N 301.390 1.894 0 40 DDAB COc1ccc(C)c2s/c(=N\C(=O)C3=COCCO3)n(C)c12 100823912 YYMZIEFKCVFXPV-NXVVXOECSA-N 320.370 1.872 0 40 DDAB CC(=O)N1CCC(C(=O)N2CC(OCC(F)(F)F)C2)CC1 390831777 UWBFFKNJTVNBBF-UHFFFAOYSA-N 308.300 1.035 0 40 DDAB CC(C)CNC(=O)NC(=O)CN(C)CCCOc1ccccc1 30427058 IVTYRCXSYUIQJY-UHFFFAOYSA-N 321.421 1.869 0 40 DDAB CN(C)C(=O)CCNC(=O)c1ccn(-c2ccccc2Cl)n1 50583552 QFUMSDJWGRBTTI-UHFFFAOYSA-N 320.780 1.734 0 40 DDAB COC(=O)C1=C(C)[C@H](c2ccc(OC)c(OC)c2)NC(=O)N1 340009 YZDJIAOMCHIVEY-GFCCVEGCSA-N 306.318 1.505 0 40 DDAB O=C(OCn1nnc2ccccc2c1=O)c1c(F)cccc1F 428844 WWQPWDSVBARMEH-UHFFFAOYSA-N 317.251 1.884 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)n(C)n1 70038618 DVQLRCOGDUQNCZ-CYBMUJFWSA-N 302.382 1.238 0 40 DDAB COc1ccc(CCN2C(=O)C(=O)N(C(C)C)C2=O)cc1OC 1573113 WCMAXMUSGHLYOI-UHFFFAOYSA-N 320.345 1.446 0 40 DDAB Cc1cccc(C)c1NC(=O)C[C@H]1SC2=NCCN2C1=O 3311713 KZXBOIWIGFPWCX-LLVKDONJSA-N 303.387 1.946 0 40 DDAB COc1ccc([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1 10298374 PGPNIXZLJHCPSF-GFCCVEGCSA-N 311.305 1.180 0 40 DDAB COc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1OC 21821870 HSVMFJFYVRRGBV-VXGBXAGGSA-N 308.378 1.752 0 40 DDAB CN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)C(=O)CN1 42017529 BWXVDPWCSLAZMP-UHFFFAOYSA-N 312.329 1.188 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)C1 47490568 CUNZCEGUGHOOLP-GXTWGEPZSA-N 304.394 1.172 0 40 DDAB NC(=O)c1cccc(CN2C(=O)NC3(CCCCCC3)C2=O)c1 47438362 PCCODSPVDZLUFI-UHFFFAOYSA-N 315.373 1.930 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)Cn1ccnc1 42512837 PSNJULZFBLLRSG-LBPRGKRZSA-N 315.373 1.842 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647407 STTGUJKDIDSLER-CQSZACIVSA-N 324.327 1.428 0 40 DDAB Cc1csc(=O)n1CCC(=O)NCc1cccnc1N(C)C 43051175 JBPRWFBHURHZKA-UHFFFAOYSA-N 320.418 1.386 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 105852423 KKEDPYBCIZPFAA-CQSZACIVSA-N 314.389 1.622 0 40 DDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCOCC1 12514383 NRZPYPROHDZVGC-WDEREUQCSA-N 319.361 1.065 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCC[C@@H](O)C1 43137123 ZZYAFOQEFIEPMF-CABCVRRESA-N 321.421 1.973 0 40 DDAB NC(=O)[C@H](NS(=O)(=O)CCc1ccccc1)c1ccccc1 56003580 MVEDXNXTRNHIJR-OAHLLOKOSA-N 318.398 1.375 0 40 DDAB Cc1cc(NC(=O)c2ccncc2)n([C@@H]2CCS(=O)(=O)C2)n1 43964512 QHWGQUMQFGSHLT-GFCCVEGCSA-N 320.374 1.198 0 40 DDAB Cn1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 89756641 PZYBJDSPKKTVLP-CQSZACIVSA-N 312.373 1.630 0 40 DDAB C[C@H](NC(=S)NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 44219966 YKAUDFQQWMOCDS-GXFFZTMASA-N 319.430 1.885 0 40 DDAB C/C=C/C=C/C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3273353 QSIJCHDTRKMHBO-MQQKCMAXSA-N 303.314 1.707 0 40 DDAB O=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1cccc2cccnc12 44458945 UEDDNPKPWJXKGH-UHFFFAOYSA-N 322.324 1.292 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)Cc1c(C)noc1C 44599674 UQSNZPJEELWISH-UHFFFAOYSA-N 312.333 1.757 0 40 DDAB COC[C@H](C)NC[C@@H](O)COc1ccc(Br)cc1 3337958 RUADYBLYKWLSEE-CMPLNLGQSA-N 318.211 1.813 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCc2cccs2)c1 58246662 PBTOGEOZNMTKQR-UHFFFAOYSA-N 312.416 1.403 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1F 44910320 FZAQEZRFAKXDHM-WDEREUQCSA-N 314.382 1.621 0 40 DDAB Cc1noc([C@H](C)NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)n1 58315427 YRKVVFVQIMFOSP-MWODSPESSA-N 303.318 1.784 0 40 DDAB C[C@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)CCC(=O)N2 48274317 VORWIPGISXDSHN-JTQLQIEISA-N 313.361 1.855 0 40 DDAB CCOc1ncccc1NC(=O)NCc1ccc(C(N)=O)cc1 48200456 LICLNOPKGJBKBV-UHFFFAOYSA-N 314.345 1.901 0 40 DDAB C[C@@H](NC(=O)NCc1ccnc(-n2cccn2)c1)[C@@H]1CCCO1 48300970 SZYDLVPACQKXBT-OCCSQVGLSA-N 315.377 1.634 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccccc1F 48366131 LVQOYZWEBSGGTD-RISCZKNCSA-N 306.341 1.444 0 40 DDAB Cc1cc(CN2Cc3cncn3[C@@H](C(=O)NC(C)C)C2)n(C)n1 306140664 UZYQBQZCQYUYBC-OAHLLOKOSA-N 316.409 1.007 0 40 DDAB C[C@@H]1CN(Cc2nc(C3CC3)no2)CCN1Cc1nccn1C 69463609 VOLLCMQLEDCEEQ-GFCCVEGCSA-N 316.409 1.387 0 40 DDAB C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 13395056 ATXSEDJBJBBUED-PHIMTYICSA-N 315.366 1.235 0 40 DDAB O=C(Nc1ccccc1)Nc1cnn(CCN2CCOCC2)c1 69535981 VXSICRQJLZQSKC-UHFFFAOYSA-N 315.377 1.859 0 40 DDAB COc1ccc(CNCc2nnc3n2CCCC3)cc1OC 69527762 JSUNRDDFBGPOTB-UHFFFAOYSA-N 302.378 1.921 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccnc1)C2=O 5262139 MSJYKPPNGKNWDW-ZBEGNZNMSA-N 316.361 1.521 0 40 DDAB CNC(=O)c1ccc(CN(C)Cc2nc(-c3ccoc3)no2)o1 69705291 OTHBXTJUOBKDGH-UHFFFAOYSA-N 316.317 1.914 0 40 DDAB Cn1ccnc1SC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 65539938 LQFOCYKMGLYCNF-GFCCVEGCSA-N 312.416 1.649 0 40 DDAB Cn1cc(C2CCN(CC(=O)Nc3nncs3)CC2)cn1 65590164 HXIGHPCYVBFPSD-UHFFFAOYSA-N 306.395 1.090 0 40 DDAB N=C(N)N1CCN(Cc2ccc(Br)s2)CC1 6590919 FCUJORAHAWWONK-UHFFFAOYSA-N 303.229 1.522 0 40 DDAB O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)N1CCC1 69879639 ZRFBCRMAOYWJHT-OAHLLOKOSA-N 317.389 1.044 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 69870010 QMQGDAVLONQYDR-CQSZACIVSA-N 318.417 1.614 0 40 DDAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC(N)=O)n2)cc1 5867422 YIKNDTBNIAYAES-QMMMGPOBSA-N 305.363 1.456 0 40 DDAB CCN(C1CCN(CCc2ccccn2)CC1)S(C)(=O)=O 69976087 VQXBFAAXXKHXHH-UHFFFAOYSA-N 311.451 1.370 0 40 DDAB O=C(c1ccsc1)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 66921006 JIOXATFACSEXKN-GFCCVEGCSA-N 308.403 1.459 0 40 DDAB O=C(CCSc1ccccc1F)N1CCS(=O)CC1 69980191 LQMMGIPJEFNMHI-UHFFFAOYSA-N 301.408 1.899 0 40 DDAB O=C(CN1CCN(c2ccccn2)CC1)NCC1CCCCC1 8709187 VRDHQMWDDZFQQK-UHFFFAOYSA-N 316.449 1.900 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1N 7252381 MOSZGVOFKGONHF-SECBINFHSA-N 319.317 1.758 0 40 DDAB Cn1cccc1C(=O)N1CCc2c(sc3ncnc(N)c23)C1 8776415 DHMJFIVFRLGHAD-UHFFFAOYSA-N 313.386 1.811 0 40 DDAB Cn1ccnc1[C@H](Nc1ccc2nnnn2n1)c1cccc(F)c1 9113885 SAVVHZRDOCKRQB-CQSZACIVSA-N 324.323 1.593 0 40 DDAB C[C@@H](CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1)Cc1cccs1 89904270 AMBKGTUCRJISMM-NEPJUHHUSA-N 321.446 1.989 0 40 DDAB Cc1nc([C@H]2CCCCCN2S(=O)(=O)N(C)C(C)C)no1 96000589 ALNNRLLMPIMBTR-GFCCVEGCSA-N 316.427 1.880 0 40 DDAB CC[C@@H](NC(=O)Cn1nc(O)ccc1=O)c1ccccc1OC 89947929 WKZAOIBBUGUAFV-GFCCVEGCSA-N 317.345 1.225 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CN1CCCC[C@H]1C(N)=O 9365652 WMSPEMSMVCPCTF-ZDUSSCGKSA-N 309.797 1.927 0 40 DDAB COc1cccc(CN2C[C@H]3[C@@H](C2)OCCN3C)c1OC(C)C 93642169 BWUHEQGJQAJTMS-DOTOQJQBSA-N 320.433 1.997 0 40 DDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc2nnnn2c1 96222912 QOXGZRZVWISVPL-GXTWGEPZSA-N 314.393 1.119 0 40 DDAB biogenic COC(=O)c1ccc(-c2nc(-c3ccc(OC)nc3)no2)nc1 75609988 SPODZJKICORDPF-UHFFFAOYSA-N 312.285 1.989 0 40 DDAB C[C@H](CCNC(=O)N[C@H]1CC(C)(C)OC1(C)C)[S@](C)=O 96497030 HSECMHGPFHKLBS-QZXWKGOOSA-N 304.456 1.789 0 40 DDAB CCc1nncn1CCNC(=O)c1c(F)c(F)cc(F)c1F 96450312 ONPYULAYGBAJHD-UHFFFAOYSA-N 316.258 1.827 0 40 DDAB O=C(COCC(F)(F)F)N1CCCC[C@H]1Cn1cccn1 71865272 SWHCEJBBYSYRTN-NSHDSACASA-N 305.300 1.843 0 40 DDAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(N)=O)n[nH]2)c1 84037329 PTDAQLUIBLUIBW-VIFPVBQESA-N 316.317 1.117 0 40 DDAB CN1CCCN(S(=O)(=O)c2cn(C)cn2)c2cc(F)ccc21 77398673 HDSYZQVOIYFWQA-UHFFFAOYSA-N 324.381 1.594 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)n[nH]1 84110213 ZBGYECQAJMACDM-OLZOCXBDSA-N 316.405 1.435 0 40 DDAB Cc1nccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 78115797 RHGRDWYHWYEEBU-HNNXBMFYSA-N 312.373 1.625 0 40 DDAB Cc1ccccc1C[C@H](CNC(=O)c1ncoc1C)C(=O)O 97036036 PGDDRONGJLMIRR-CYBMUJFWSA-N 302.330 1.965 0 40 DDAB O=C(CCc1ccncc1)N[C@H]1CCCN(c2cccnc2)C1=O 97107923 UEUPTICVQQWAQH-INIZCTEOSA-N 324.384 1.721 0 40 DDAB Cc1cccc2nc(CN[C@@H]3CCCC[C@@H]3C(N)=O)cc(=O)n12 97103553 NJAROQQUAYCIEZ-UONOGXRCSA-N 314.389 1.137 0 40 DDAB CCS(=O)(=O)Nc1ccc(Nc2nccc(OC)n2)cc1 301107342 SXVJTGWZCZDMCS-UHFFFAOYSA-N 308.363 1.990 0 40 DDAB O=C([C@@H]1NCCc2[nH]cnc21)N1CCc2c([nH]c3ccccc23)C1 72469107 KZXYCJNCMDYVBA-QGZVFWFLSA-N 321.384 1.663 0 40 DDAB O=S(=O)(NCCCn1cccn1)N1CCC[C@H]1c1ccco1 78879893 ZOAKDMNTXCGTLX-ZDUSSCGKSA-N 324.406 1.538 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1Cl 78998361 IGAXXKHYNZVHLH-LBPRGKRZSA-N 310.781 1.362 0 40 DDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1 78989066 ADUBFMLLJWTDGZ-UHFFFAOYSA-N 316.401 1.788 0 40 DDAB C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)O 95425149 RPFVPOKXUIQXAD-SSDOTTSWSA-N 309.272 1.568 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cn[nH]c3C)CCO2)n1 95402183 VZKOUGHDZCAEKU-LLVKDONJSA-N 304.354 1.002 0 40 DDAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1CCO 95999911 FPMROSGPRDNFKG-INIZCTEOSA-N 319.380 1.994 0 40 DDAB COc1cccnc1N(C)S(=O)(=O)c1cn(CC(C)C)cn1 95973508 LQJYSJCIVXXVEU-UHFFFAOYSA-N 324.406 1.768 0 40 DDAB CN(Cc1ccco1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 31459323 LSMVBQZGUOAIHV-CYBMUJFWSA-N 300.362 1.945 0 40 DDAB CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC)cc1 408597566 ZIQQIRGELFGYEC-GFCCVEGCSA-N 312.435 1.832 0 40 DDAB CCn1cc(-c2cc(C(F)F)n3nc(CC(=O)O)nc3n2)cn1 35655504 OVYMLTVSDOZADO-UHFFFAOYSA-N 322.275 1.572 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)c2nnc(C)o2)n[nH]1 1032300302 WOCPQPHTQYPVEC-DLOVCJGASA-N 316.365 1.069 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1 72238134 WAJIQVDVANCEDP-IUODEOHRSA-N 323.462 1.726 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71288040 WYCDMNNQVICBOG-WDEREUQCSA-N 306.318 1.089 0 40 DDAB C[C@H]1CN(CC(=O)N(CCC(N)=O)c2ccccc2)C[C@H](C)O1 32757847 PZIGVHVDKHYJKY-KBPBESRZSA-N 319.405 1.004 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 36869867 WRQFMPRWIDKHFL-UHFFFAOYSA-N 309.410 1.746 0 40 DDAB COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 33787096 UDVXHWMQVSMINO-AWEZNQCLSA-N 322.405 1.885 0 40 DDAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@@H]2[C@H]1[C@H]2C(F)(F)F 39947707 LWSDFMTZOOHKNY-OSMVPFSASA-N 311.256 1.636 0 40 DDAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCCC(=O)O)=N1 33629384 VORKNFAJXJKGAP-ZDUSSCGKSA-N 319.386 1.654 0 40 DDAB O=C(CN1CCNC(=O)[C@@H]1c1cccs1)Nc1ccccc1 72800467 WXGDLGQDXSZHTB-HNNXBMFYSA-N 315.398 1.860 0 40 DDAB COCCNC(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 78441806 HIJAARPHDNSTTI-AWEZNQCLSA-N 321.421 1.730 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72238389 YLZABAQIJKHLOP-AWEZNQCLSA-N 307.394 1.229 0 40 DDAB CC1(C)[C@@H](C(=O)NCc2nc(-c3ccncc3)no2)[C@H]1C(=O)O 72401513 KCTMLHKLEZHQRA-MNOVXSKESA-N 316.317 1.105 0 40 DDAB Cc1cc2cc(C(=O)N3CCO[C@@](C)(C(N)=O)C3)ccc2o1 72379765 IIHDWHOQYDJYRG-MRXNPFEDSA-N 302.330 1.458 0 40 DDAB COc1cccc([C@]2(Cc3cccs3)NC(N)=NC2=O)c1 71975296 DUFPDLVZALBDDU-HNNXBMFYSA-N 301.371 1.639 0 40 DDAB CS(=O)(=O)Cc1ccc(CNc2ncnc3[nH]ncc23)cc1 48325398 GAMBEIUIZQHNGS-UHFFFAOYSA-N 317.374 1.510 0 40 DDAB CN(C)c1cccc(C(=O)NS(=O)(=O)c2nccs2)c1 225788655 QVPQUMKLBMMGKF-UHFFFAOYSA-N 311.388 1.328 0 40 DDAB COCc1nc([C@H]2CCCCN2CCc2ccnn2C)n[nH]1 574556587 CFYJAFAGHOAQCI-CYBMUJFWSA-N 304.398 1.454 0 40 DDAB O=S(=O)(C1CC1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 225780122 RYPOWWNGJMVOOB-UHFFFAOYSA-N 318.402 1.724 0 40 DDAB CCN1C[C@H](COC(=O)c2n[nH]c3c2CCCCC3)CC1=O 195579031 MHXUVQDDRSMNNH-LLVKDONJSA-N 305.378 1.704 0 40 DDAB O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1ccncc1 96059757 JXUYPMZURXGCBT-HNNXBMFYSA-N 312.373 1.732 0 40 DDAB O=C(NCc1cn2c(n1)CN(c1ncccn1)CC2)C1CCC1 96197436 UHTDOHLFMBCEIQ-UHFFFAOYSA-N 312.377 1.110 0 40 DDAB CCC[C@H](C)CS(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 96496846 JLRUJWCNQXSXIM-UONOGXRCSA-N 314.455 1.756 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)ccc1F 96420318 BBZVEUHIIBZNRM-RISCZKNCSA-N 308.353 1.740 0 40 DDAB O=C(Cn1cccn1)N1CCN(c2nncc3ccccc23)CC1 96443696 YOSBCQQXTOBWNQ-UHFFFAOYSA-N 322.372 1.175 0 40 DDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96108284 RHQJZHBMVNQKKW-ZBFHGGJFSA-N 323.462 1.232 0 40 DDAB CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)NCc2ccnc(C)c2)[C@H]31 334078097 KNFOYYFFUASAEM-RFBLXINOSA-N 301.390 1.955 0 40 DDAB CC(=O)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96080348 ACUCLZSLZOKYHV-MRXNPFEDSA-N 302.378 1.319 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN[C@H]2CCO[C@H]2C)s1 90582505 CXZOONVMFSPKLY-QWRGUYRKSA-N 304.437 1.102 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053761 OCYZIEMGYVPKPD-IYBDPMFKSA-N 308.385 1.681 0 40 DDAB CC(C)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344320 IIFSNQQIRQMUDQ-SECBINFHSA-N 304.325 1.580 0 40 DDAB C[C@@H](Cc1ccc(Cl)cc1)NC1CCN(CC(N)=O)CC1 91282455 PXFLJOLNGFCWJM-LBPRGKRZSA-N 309.841 1.810 0 40 DDAB COCCN1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158845 QNDRTGCFNHFSMP-UHFFFAOYSA-N 305.422 1.395 0 40 DDAB CO[C@@H]1CCN(c2ncc(F)cn2)[C@@H]2CN(CC3CC3)C[C@@H]21 96110987 UOFOWCDUWQOENK-RRFJBIMHSA-N 306.385 1.551 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96219214 VTMKSFACCPWNIM-BLLLJJGKSA-N 320.368 1.738 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 245777279 YJIAZQULELQLNO-YUTCNCBUSA-N 312.435 1.917 0 40 DDAB CC(C)(C)OC[C@@H](O)CN1CCC[C@H]1C(=O)NCc1ccco1 245316834 KTHOPKOXOHTAKG-ZFWWWQNUSA-N 324.421 1.536 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1c(C)noc1C 247831766 LLSNJIXWQYYOCA-YXAMBPQSSA-N 320.389 1.928 0 40 DDAB CS(=O)(=O)N1Cc2ccnn2[C@H](CCOc2cccnc2)C1 247526262 NFSJRRFQNKLQSZ-CYBMUJFWSA-N 322.390 1.064 0 40 DDAB Cc1nccn1CCNC(=O)c1cccnc1O[C@@H]1CCOC1 253408044 XBRJZHQCVJQURZ-CYBMUJFWSA-N 316.361 1.184 0 40 DDAB Cc1cc(C)nc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257246919 IWNOTCOYXOMULI-HNNXBMFYSA-N 312.373 1.631 0 40 DDAB C[C@H](Oc1cccnc1)C(=O)N1CCC(c2nc(O)n[nH]2)CC1 539926550 SPNUQIBBCIJWOY-JTQLQIEISA-N 317.349 1.079 0 40 DDAB CONC(=O)[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 62022944 QHAGOTXLOOOXQJ-SNVBAGLBSA-N 322.390 1.688 0 40 DDAB Cc1nc2ccc(N3C(=O)N[C@@H]4CS(=O)(=O)C[C@@H]43)cc2s1 575420524 CLFKJYYJVJBKDC-MNOVXSKESA-N 323.399 1.300 0 40 DDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575403699 MSXDCKZHLOXRLO-OLZOCXBDSA-N 320.414 1.583 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cn1 585269521 XXVFGJAHGXJETA-HOTGVXAUSA-N 317.364 1.767 0 40 DDAB CCCn1nc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)ccc1=O 44942175 HNMNGRLQPMPEMX-DZGCQCFKSA-N 321.421 1.978 0 40 DDAB COCCN1CCC(NC(=O)CCc2c(C)noc2C)CC1 85467886 AOWFBBMJXHQFEV-UHFFFAOYSA-N 309.410 1.451 0 40 DDAB COc1c(C)cnc(CN(C)C(=O)NC[C@@H]2CCCN2)c1C 561208711 HQNNJAJJUKABQG-ZDUSSCGKSA-N 306.410 1.600 0 40 DDAB O=C(O)c1ccc(CNS(=O)(=O)N2CCCCCC2)o1 94554780 GBXWRYNVFGENQW-UHFFFAOYSA-N 302.352 1.188 0 40 DDAB CC1(C)NC(=O)N(CCCn2cc(Br)cn2)C1=O 95442103 YKULVJLSFFJBPI-UHFFFAOYSA-N 315.171 1.366 0 40 DDAB COc1ccc(C(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)cc1 1549161737 KMJWNIFNHPRYAT-UHFFFAOYSA-N 316.357 1.464 0 40 DDAB NS(=O)(=O)c1ccc(CCOC(=O)c2ccncc2)cc1 5750491 WHPTYAOFLCZHQZ-UHFFFAOYSA-N 306.343 1.129 0 40 DDAB CCCc1cc(=O)oc2cc(OCC(=O)NCCCO)ccc12 5266760 QCABFTAGRPHOGR-UHFFFAOYSA-N 319.357 1.623 0 40 DDAB CO[C@H]1C[C@@H](NC(C)=O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 5373088 GDYLYTADQGGFEF-YIDVYQOGSA-N 307.346 1.367 0 40 DDAB O=C(c1cn[nH]c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 155835362 VFKQKNKLQGSLBU-UHFFFAOYSA-N 310.361 1.244 0 40 DDAB CCCN1C(=O)NC2(CCN(C(=O)c3ccco3)CC2)C1=O 17271884 RZWZQUFTNPSDBD-UHFFFAOYSA-N 305.334 1.216 0 40 DDAB CS(=O)(=O)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888870078 IWRDPQFQIYHBIX-ZWNOBZJWSA-N 315.370 1.056 0 40 DDAB CS(=O)(=O)N1CC[C@H](Cc2cncc(-c3cncs3)n2)C1 1848352535 CPYRDGIVAYMQNS-SNVBAGLBSA-N 324.431 1.424 0 40 DDAB Cc1cccc(OC[C@@H]2CCCN([C@@H]3CCN(C)C3=O)C2)n1 1848570851 POMJRBJGRQWOKJ-HUUCEWRRSA-N 303.406 1.712 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1 28327730 CEFIKHKFGHIEIA-BDAKNGLRSA-N 319.404 1.381 0 40 DDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC[C@@H]1CCCO1 32315697 FLZQAHOFNBANKE-JTQLQIEISA-N 321.402 1.902 0 40 DDAB CCOC(=O)N[C@H](CNC(=O)c1ccc(=O)[nH]c1)CC(C)C 32914568 UDRHLHHQCFWXGI-LBPRGKRZSA-N 309.366 1.266 0 40 DDAB COc1ccnc(N2CCC[C@@H](COc3ncccn3)C2)n1 1776001018 UYGPGLBCUIWPAU-GFCCVEGCSA-N 301.350 1.571 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1cccc(Cl)c1F 36885587 WSQWHJFCFCJVMS-UHFFFAOYSA-N 321.757 1.964 0 40 DDAB COC(=O)c1cc(N)ccc1OCCNC(=O)OC(C)(C)C 2037873300 DYXHMBUQABIWGF-UHFFFAOYSA-N 310.350 1.959 0 40 DDAB CN1C[C@H]2CN(Cc3ccc(F)cc3F)CC[C@@H]2OCC1=O 2037983654 BKOGGWBJBRNXBG-WFASDCNBSA-N 310.344 1.644 0 40 DDAB Cc1cc(C)cc(S(=O)(=O)NCCCn2ncccc2=O)c1 23242006 GBHNYHYBTGCVET-UHFFFAOYSA-N 321.402 1.229 0 40 DDAB CCc1cnc(N2CCC(NS(=O)(=O)C3CC3)CC2)nc1 2086861237 XLVDXSQVHNYPTF-UHFFFAOYSA-N 310.423 1.090 0 40 DDAB O=C1NC(=O)/C(=C/c2ccc(I)cc2)N1 35132704 AYKHCDIQJGOBPJ-YVMONPNESA-N 314.082 1.472 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cncc(O)c3)C2)nn1 2298042984 OZMYBJFNSPFFSP-GFCCVEGCSA-N 314.345 1.427 0 40 DDAB CC(C)(C)CC(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19082723 APDHDIXVFWYHTE-LBPRGKRZSA-N 302.422 1.874 0 40 DDAB COc1cc(CN[C@@H](C)Cn2cccn2)cc2c1OCCO2 30904474 ZBIKMSRUQCLMEX-LBPRGKRZSA-N 303.362 1.841 0 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Cc1nccn1-c1cc(CNC(=O)c2ccn(C)c(=O)c2)ccn1 47011924 GBMVRQKRMMSZFN-UHFFFAOYSA-N 323.356 1.204 0 40 DDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1cccc(F)c1 12321621 YOSCVTHGWLAZOT-UHFFFAOYSA-N 315.308 1.849 0 40 DDAB O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCCCCC1 47161000 UZLJUPILXVRFBO-UHFFFAOYSA-N 321.425 1.357 0 40 DDAB Cc1nccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 55837686 WKRFJEPEAAMSBW-OAHLLOKOSA-N 324.384 1.450 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)c(C)c1 25658940 NOGODJFAXYEZSM-HNNXBMFYSA-N 306.406 1.240 0 40 DDAB O=C(O)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 43702242 CJBMZANZQXYFRR-GFCCVEGCSA-N 309.749 1.684 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)[C@@H]1COCCO1)CC2 56462780 PIOLSZGSCIDIJP-INIZCTEOSA-N 321.373 1.046 0 40 DDAB CCc1cc(N[C@@H]2CCN(CC(F)(F)F)C2)n2ncnc2n1 57855207 AQUQCSXYGLCARO-SNVBAGLBSA-N 314.315 1.735 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)no1 44633780 MOFQFTQBVOFEDO-FZMZJTMJSA-N 303.362 1.657 0 40 DDAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccncc1 27407462 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COc1cc(NC(=O)c2ccc(O)nn2)cc(OC)c1OC 3360760 BUTQAZOUCLTBMK-UHFFFAOYSA-N 305.290 1.460 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 48263339 XODCOKVFWWNGOF-KBPBESRZSA-N 320.389 1.513 0 40 DDAB COC[C@H](C)NC(=O)COc1ccc(OC)cc1C(=O)OC 48264678 GYYNOAVWOXIPAK-JTQLQIEISA-N 311.334 1.012 0 40 DDAB O=C(Cn1cccn1)N[C@@H](CN1CCCC1=O)c1ccccc1 48310640 OTQYHFDBPKTWFW-HNNXBMFYSA-N 312.373 1.363 0 40 DDAB CC(C)C(=O)NCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 12982945 ZXLKUVDTJCBVRH-LLVKDONJSA-N 321.377 1.548 0 40 DDAB CCNC(=O)COC(=O)c1cc(Br)ccc1O 3513271 FIIIUAZHKATHIR-UHFFFAOYSA-N 302.124 1.448 0 40 DDAB O=C(NCCCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 13006961 MKKCCSGLDWEMFZ-AWEZNQCLSA-N 311.403 1.144 0 40 DDAB CS(=O)(=O)CCSCc1cc(=O)n2ccsc2n1 48842357 GQODEFXFDNSXCN-UHFFFAOYSA-N 304.418 1.034 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2Cc3ccccc3C2)C1 69663994 LESUDBLYLXHSDJ-CQSZACIVSA-N 308.403 1.200 0 40 DDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13264894 DQFBPVAAGKBOLE-UHFFFAOYSA-N 320.326 1.285 0 40 DDAB O=C1CNC(=O)N1CCCN1CCC[C@@H]1c1ccc(F)cc1 64140217 WTMNANSOGUJDGL-CQSZACIVSA-N 305.353 1.905 0 40 DDAB CN(Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 18174941 KNNNYPZGCYXRLK-UHFFFAOYSA-N 319.386 1.998 0 40 DDAB O=C(O)[C@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCO1 49864781 YOVGJPFYMMLUSH-LLVKDONJSA-N 317.700 1.170 0 40 DDAB Cn1cc(C(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cn1 65488332 SJPHAGOIHVWELZ-MRXNPFEDSA-N 320.352 1.904 0 40 DDAB Cc1cc(CNC(=O)c2ccc3c(=O)[nH]c(S)nc3c2)on1 65490222 YRKGTXGXIWQTRT-UHFFFAOYSA-N 316.342 1.438 0 40 DDAB C[C@@H](c1ccccc1Cl)N(C)CC(=O)N1CCNC(=O)C1 65548504 FSBBZSUXKPUWIM-NSHDSACASA-N 309.797 1.291 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 65548539 UULQRTDYOKQTDT-CABCVRRESA-N 316.405 1.551 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)c3cnccn3)cn2)C[C@H](C)O1 65537637 FRIIZKMEOGFEPJ-RYUDHWBXSA-N 313.361 1.738 0 40 DDAB N=C(N)Sc1nc(N2CCCCC2)nc(N2CCCCC2)n1 4525344 VYEVEAXUCMNDMV-UHFFFAOYSA-N 321.454 1.838 0 40 DDAB CCN(CCNC(=O)c1cccnc1OCCOC)C1CC1 69328072 XQRGBXBOXRONIN-UHFFFAOYSA-N 307.394 1.321 0 40 DDAB Cc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 6508690 VVEWWMVEZAHZRT-UHFFFAOYSA-N 317.370 1.431 0 40 DDAB Cc1nc(CN2CCCN(C(=O)c3ccnn3C)CC2)cs1 69816664 SHGIXVUHODCYBF-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB CCc1nnc2n1CCN(Cc1cccc3c1OCCO3)C2 69840784 YEVYKKDNXRICEM-UHFFFAOYSA-N 300.362 1.628 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC(CN)CC2)cc1OC 6746911 WONPRUKUQJVXQN-UHFFFAOYSA-N 314.407 1.063 0 40 DDAB in-vitro c1cncc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)c1 69484661 KPHAJCXVDXFAAQ-CYBMUJFWSA-N 311.349 1.388 0 40 DDAB COc1ccc(NC(=O)[C@H](C)NC(=O)C2CCOCC2)cc1F 66824024 PVBMRRBEYSELAY-JTQLQIEISA-N 324.352 1.704 0 40 DDAB Cc1cnn(CCC(=O)NCCC(=O)N2CCCC[C@H]2C)c1 69486073 WUWASIICQKXKAP-CQSZACIVSA-N 306.410 1.489 0 40 DDAB CCCNC(=O)C1(NC(=O)c2ccn(C)c(=O)c2)CCCCC1 69452969 ZNKFCRZBLZSJII-UHFFFAOYSA-N 319.405 1.344 0 40 DDAB C[C@@H](CC1CCOCC1)N[C@H]1CCN(c2cnn(C)c2)C1=O 90017487 XXOXSJUMSGMBNH-WFASDCNBSA-N 306.410 1.320 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)c(Cl)c1 15443377 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CN(Cc1ccco1)C(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 72270755 DMFPGCXEVFRKPX-CYBMUJFWSA-N 302.378 1.841 0 40 DDAB Cn1cc(CC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cn1 72299478 AZIRSRTZOPZPHU-LBPRGKRZSA-N 301.350 1.587 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1CCCN1c1nccs1 72278857 JWMHGVGOASFBIM-NWDGAFQWSA-N 317.418 1.440 0 40 DDAB O=C(NCCOCC1CC1)C(=O)Nc1cc(F)c(F)c(F)c1 72295109 FNFFDLYAGLBBML-UHFFFAOYSA-N 316.279 1.585 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@@H](n2cncn2)C1 72235043 DIJRJHGXTWABPS-LSDHHAIUSA-N 319.409 1.233 0 40 DDAB CCn1cc(NC(=O)C(=O)NCc2ccsc2)ccc1=O 72291027 OAUWLDPIDNQBFX-UHFFFAOYSA-N 305.359 1.185 0 40 DDAB CC(C)Nc1c(Cl)cccc1NC(=O)Cn1ncn(C)c1=O 97048396 OEHLSIRRFXHQOS-UHFFFAOYSA-N 323.784 1.694 0 40 DDAB O=C(NCCNC(=O)C1CCC(F)(F)CC1)c1ccn[nH]1 97057886 KSLPSMJSZNZBOT-UHFFFAOYSA-N 300.309 1.081 0 40 DDAB CC(C)(C(=O)NC(CO)CO)c1ccc(Cl)c(Cl)c1 97113048 FOSWRQXFZDEEMY-UHFFFAOYSA-N 306.189 1.740 0 40 DDAB CC(C)n1ccc(CC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1 72300512 MWUPZWRFNWHNEM-GDBMZVCRSA-N 320.437 1.186 0 40 DDAB Cn1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1=O 72303943 DZPSLIYBUYVDDY-AWEZNQCLSA-N 307.375 1.476 0 40 DDAB Cc1ncc(CN(C)c2ncnc3c2cnn3CCO)s1 97200283 AUJWKMRXQXQURN-UHFFFAOYSA-N 304.379 1.220 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 84344073 GZIFQCNTVCCLRW-MEDUHNTESA-N 324.371 1.989 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1n[nH]c(O)n1 84736509 PZFQXOVOKCZNSW-LLVKDONJSA-N 301.350 1.381 0 40 DDAB CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 95427416 FJSBSOHTOGNVHW-VXNVDRBHSA-N 308.325 1.943 0 40 DDAB CN(C)C(=O)Cn1cc(NC(=O)Nc2ccnc(Cl)c2)cn1 95454797 UVFVNJYMFGTQMC-UHFFFAOYSA-N 322.756 1.664 0 40 DDAB CC[C@@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 79038647 WHDHFECIZLWVJE-DGCLKSJQSA-N 303.424 1.370 0 40 DDAB Cc1ccc(O[C@H](C)CNC(=O)N2CCO[C@@H](CO)C2)cc1 79009172 UJLOZDFQASSPJF-UKRRQHHQSA-N 308.378 1.165 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1 95955046 LUZWTDVGTARZLG-OAGGEKHMSA-N 301.390 1.853 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)n1 95956711 HUUWQSSIAOBVIG-ZIAGYGMSSA-N 315.377 1.621 0 40 DDAB Cc1nnc(S[C@H](C)c2ncc(C(C)(C)C)o2)n(N)c1=O 89499458 WNAQUMLMDOQAJB-MRVPVSSYSA-N 309.395 1.799 0 40 DDAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccc(F)cc1 408667084 QAWQYIXOIWRWKS-BUNRJADRSA-N 318.300 1.749 0 40 DDAB Cc1cc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)ccc1F 67262036 QJBAOZHMVFDBRF-LBPRGKRZSA-N 304.325 1.624 0 40 DDAB CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc(C)n2C)C(=O)O)C1 515311226 CSNLBEBTDFBRHJ-BZPMIXESSA-N 308.378 1.722 0 40 DDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccn1 78986807 DCRMGIRJKFEBEM-QMMMGPOBSA-N 321.686 1.628 0 40 DDAB Cn1cc2c(n1)CCC[C@@H]2NC(=O)[C@H]1CCC(=O)c2cccn21 548897883 ULGKRCGPVXUFPU-SWLSCSKDSA-N 312.373 1.933 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1nc(-c2cccs2)n[nH]1 72401963 VLRZGKNYNSOXPM-UHFFFAOYSA-N 316.302 1.274 0 40 DDAB CCn1nncc1CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1OC 528014589 WHOCHHYFTCGSEW-CABCVRRESA-N 315.377 1.410 0 40 DDAB CCn1nc(C)c(CN2CC3(CCOCC3)CC[C@@H]2CO)n1 528641761 SYLSAOYHVXRPCN-CQSZACIVSA-N 308.426 1.360 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccc(N3CCCC3)cc2)CCO1 72379746 DUMHBBQUUHZXBH-KRWDZBQOSA-N 317.389 1.003 0 40 DDAB O=C(C[C@@H](CN1CCCC1)C(=O)O)Nc1ccc(Cl)nc1 72402901 UWFUGUXWWOAZPO-JTQLQIEISA-N 311.769 1.860 0 40 DDAB Cc1cc(NC(=O)CSc2ccc(-n3ccnc3)nn2)no1 70688593 OKYGFCJCDQCBOP-UHFFFAOYSA-N 316.346 1.690 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)OC2CCCCC2)CC1 78993260 YARNFIUXKOYNIE-UHFFFAOYSA-N 303.424 1.924 0 40 DDAB S=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccccn2)CC1 225226236 SQKPHCITODRTSO-HNNXBMFYSA-N 320.462 1.253 0 40 DDAB CC1(C)[C@H](NC(=O)N[C@@H]2CNCCC2(F)F)[C@H]2CCO[C@H]21 568609183 YCJUEKYCLYKUHD-GWOFURMSSA-N 303.353 1.096 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(F)ccc1F 45896206 WDGYXCGBVMXXPF-GFCCVEGCSA-N 321.287 1.803 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 96181176 YUGARJLSXIBPGF-WFASDCNBSA-N 323.462 1.726 0 40 DDAB O=C(c1ccco1)N1CCc2ncnc(N3CCCC3)c2CC1 96058723 RVURIPDTDNXENY-UHFFFAOYSA-N 312.373 1.911 0 40 DDAB CN(C)C(=O)N1CC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 96047003 NXBRMDMDKJJSQR-INIZCTEOSA-N 305.426 1.390 0 40 DDAB O=C(c1n[nH]c2c1CN(Cc1ccco1)CC2)N1CCOCC1 96187396 JKXAPOQVHNDQEJ-UHFFFAOYSA-N 316.361 1.033 0 40 DDAB CN(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1 96047968 CCHLESBQPKNWSX-GFCCVEGCSA-N 321.377 1.315 0 40 DDAB O=C(CC1CC1)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96222676 PLSYDIGYIGOOEQ-PBHICJAKSA-N 317.389 1.806 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053623 FOTIPPGFGQEGPB-HIFRSBDPSA-N 307.353 1.817 0 40 DDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccnn2C)C1 96420650 XSGASMKUKPNKCT-ZDUSSCGKSA-N 321.425 1.114 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CC[C@]2(C[C@@H](OC)CO2)C1 96209034 IUEBAAILTWKPBM-PBHICJAKSA-N 323.364 1.783 0 40 DDAB C[C@@H]1CN(c2ccc3nnnn3n2)C[C@H](c2ccsc2)O1 95413878 NONBNNVTFHPXNZ-MWLCHTKSSA-N 302.363 1.547 0 40 DDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccon1 96484637 NCKYERZCAWPPCK-ZDUSSCGKSA-N 306.293 1.257 0 40 DDAB C[C@H]1COCCN1c1ccc(NC(=O)Cn2cccn2)cc1 96414141 VHBYNKQKSYKHSA-ZDUSSCGKSA-N 300.362 1.747 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)c4ccoc4)C[C@@H]23)n1 96040850 TXHYSZUMIYMHDX-MCIONIFRSA-N 317.345 1.548 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 96427367 NFKDFEPLOAXFEK-OAHLLOKOSA-N 313.357 1.863 0 40 DDAB COCCN1C(=O)CCC[C@@]12CCCN(C(=O)c1c[nH]cn1)C2 96077073 DQWBGHFYANMADJ-INIZCTEOSA-N 320.393 1.043 0 40 DDAB O=C(c1cnco1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257328956 XHTRQBUEMOFQML-LLVKDONJSA-N 313.317 1.790 0 40 DDAB CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccncc2)s1 257248119 JCEXXMUEEZWYNO-NSHDSACASA-N 316.386 1.875 0 40 DDAB C[C@]1(O)CN(C(=O)c2ccon2)CC[C@@H]1Oc1ccccc1 257269842 MRPPJYXGROYMTP-HOCLYGCPSA-N 302.330 1.719 0 40 DDAB Cc1cnn(CC(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)c1 257315574 VCADNHMKARRAEJ-HNNXBMFYSA-N 315.377 1.198 0 40 DDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(C)=O)ccnc12 257342327 ZODYIAIIRPOBAD-GFCCVEGCSA-N 301.350 1.162 0 40 DDAB Cc1nnsc1C(=O)NCc1cc(-c2cccnc2)nn1C 253471529 DAVPNCYWCHIDAU-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB CN1CCN(C(=O)COc2cccnc2)C[C@H]1c1ccccc1 257287123 POQGVDPMXIXDBV-KRWDZBQOSA-N 311.385 1.976 0 40 DDAB CCOC(=O)[C@@H]1C(S)=N[C@]2(N3CCOCC3)CCCC[C@H]12 252695450 ZZFRVHIHHRPALT-XUJVJEKNSA-N 312.435 1.726 0 40 DDAB FC(F)(F)c1ccn(Cc2nnnn2CC2CCOCC2)n1 277486739 LDSOGKMPUVPOMG-UHFFFAOYSA-N 316.287 1.363 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2cnn3c2OCCC3)CC1 90627081 PRTXAETZSJPBEC-UHFFFAOYSA-N 322.365 1.016 0 40 DDAB COCC(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 575406271 MWEMHAASDLFBJA-BPUTZDHNSA-N 320.389 1.108 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)C3CC3)CO2)C1 575406933 YJMPWKCXRAWSHH-MBNYWOFBSA-N 306.406 1.176 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575402379 BVWOLPWLFDDGAH-JSGCOSHPSA-N 320.414 1.583 0 40 DDAB CN(C(=O)/C=C/c1cnc[nH]1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 585292054 WMQXOKASTCWTNX-JTWJQQFASA-N 318.421 1.259 0 40 DDAB O[C@]1(COc2ccccc2)COCCN(c2ncccn2)C1 585277327 UPXVMSBKQPGFKR-INIZCTEOSA-N 301.346 1.123 0 40 DDAB Cc1occc1CN(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 57010865 XYSMOVSAJDZKRS-UHFFFAOYSA-N 321.358 1.578 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)cc2)CC1 69628096 IHASCZKAEVTZBV-DLBZAZTESA-N 324.440 1.884 0 40 DDAB O=C(N1CC(CO)C1)C1(c2ccc(Br)cc2)CC1 91487543 MMFDIBKKZFBMNK-UHFFFAOYSA-N 310.191 1.931 0 40 DDAB CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)C1 107063613 ZSWRMTJKGIYNRM-OUCADQQQSA-N 323.466 1.582 0 40 DDAB COc1ccnc(N2CCN(c3ncnc4c3CCC4)CC2)n1 76922149 JLLQFQYKSOYSDN-UHFFFAOYSA-N 312.377 1.091 0 40 DDAB CNC(=O)CNC(=O)NCc1cc2c(s1)CCC(C)(C)C2 95407376 UXFADWMOCBRGJD-UHFFFAOYSA-N 309.435 1.808 0 40 DDAB COCCN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 8104313 XPDXMCJTDHCHGW-KHPPLWFESA-N 304.327 1.692 0 40 DDAB CCn1c(=O)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2cccnc21 12222282 ZWLMXMYANOOUCA-STQMWFEESA-N 316.405 1.722 0 40 DDAB COCCc1nnc(NC(=O)[C@H](C)n2cc(Cl)cn2)s1 19080771 WELQPZRXPNXFJD-ZETCQYMHSA-N 315.786 1.777 0 40 DDAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCCCN1CCC[C@H](C(N)=O)C1 104363380 DZJIWJFMWWOXKG-JONQDZQNSA-N 323.481 1.367 0 40 DDAB CCN=c1cc(C)nc(N2CCN(c3ccc(C)nn3)CC2)[nH]1 1889089359 FDIKBCYQNXFLGS-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB Cc1cccc(OC[C@H]2CCCN(Cc3nncn3C)C2)n1 1848567398 JSLBYIQWXXDBHJ-AWEZNQCLSA-N 301.394 1.810 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)NCCCn2cccn2)c1 30518771 MLUPQSRRMYVHCR-UHFFFAOYSA-N 307.375 1.454 0 40 DDAB COc1ccc2nc(SCC(=O)N3CCNC3=O)[nH]c2c1 4037286 CURHBCLOMBLHRK-UHFFFAOYSA-N 306.347 1.215 0 40 DDAB Cn1nc(C(=O)NCc2ccc(-c3ccoc3)nc2)ccc1=O 575615193 CLMVXZDGNPBDPK-UHFFFAOYSA-N 310.313 1.365 0 40 DDAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(n2ccnn2)CC1 585321697 ILDDSOJZRYDJFI-UHFFFAOYSA-N 324.340 1.862 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](Oc2cnsn2)C1 618256146 DKVLJDAVFSRQSO-YPMHNXCESA-N 319.386 1.985 0 40 DDAB Cc1cnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)nc1 2298050232 YNUBIYFZECLNRO-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB O=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCOCC1 109952419 BBJBJDQOEKLOHT-UHFFFAOYSA-N 303.383 1.959 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cc2ccccc2o1 111147164 VLVDVRWVHQQREJ-NWDGAFQWSA-N 303.314 1.835 0 40 DDAB Cc1ccc2nc(C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 40467935 ROESDEBIRZYGRY-LBPRGKRZSA-N 318.398 1.769 0 40 DDAB O=C(Nc1cc2c(cc1Cl)OCO2)[C@H]1CCS(=O)(=O)C1 40476215 KGKJWJMWYIANFM-ZETCQYMHSA-N 317.750 1.442 0 40 DDAB O=C(CNC(=O)c1cccnc1S)NCc1ccccc1 31423522 SFAKTSCIAXEXOM-UHFFFAOYSA-N 301.371 1.417 0 40 DDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(CCn2cccn2)C1 83836871 HXGQWZOTWCAGEX-HNNXBMFYSA-N 317.441 1.009 0 40 DDAB C[C@H]1CN(CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)CO1 28984308 RXCNLOHLBMEUJM-STQMWFEESA-N 302.374 1.782 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 100846459 UFTQIECOROIOFO-JXFSHQFZSA-N 303.314 1.125 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)c2c(C)noc2C)c1 31749698 AGLBDSSTIBVVTM-UHFFFAOYSA-N 323.374 1.130 0 40 DDAB CN(CC(=O)NCCc1cccs1)c1ncnc2[nH]cnc12 45978441 YIQHGQIMWLCAHR-UHFFFAOYSA-N 316.390 1.210 0 40 DDAB CCn1ncc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)c1C 20602631 QQSOUYZMCVSGCF-UHFFFAOYSA-N 311.411 1.372 0 40 DDAB O=C(NC1CC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29564390 VBABBWGMZDKEHY-QWHCGFSZSA-N 308.378 1.247 0 40 DDAB O=C(COC(=O)c1ccc(F)cc1)NC(=O)NCc1ccco1 3510702 XDGOGPWYPGKNSW-UHFFFAOYSA-N 320.276 1.602 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1C[C@@H]1CCCN2CCCC[C@H]12 32124016 HBJYFZOEAWYVOX-XJKSGUPXSA-N 313.401 1.954 0 40 DDAB biogenic CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 6597244 RBSJNWVGLZOVJV-ZDUSSCGKSA-N 312.435 1.968 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CN2CSCC2=O)c1 7801334 ZXTVGSMRPVHIQA-UHFFFAOYSA-N 308.359 1.253 0 40 DDAB CN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100178082 GCIKTBMECLKGJG-GASCZTMLSA-N 319.405 1.641 0 40 DDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1cccc2cn[nH]c12 102140174 VSDFOSIHUSIMJT-LLVKDONJSA-N 323.374 1.192 0 40 DDAB CC(C)OCCCNC(=O)NCc1ccc(-n2cccn2)nc1 32795197 KFALLJYLTXFYEQ-UHFFFAOYSA-N 317.393 1.882 0 40 DDAB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2ncccn2)c1 11984356 JIMQFDIKAMRGNO-SECBINFHSA-N 317.301 1.375 0 40 DDAB COc1cc(OC)cc(-c2ncc([C@H](N)CC(=O)O)cn2)c1 8731004 PVQWLGKROXREAX-CYBMUJFWSA-N 303.318 1.635 0 40 DDAB CC(C)(C)NC(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 21590467 GEZHGXWJGRHJLK-UHFFFAOYSA-N 302.330 1.600 0 40 DDAB COCCNc1nnc(S[C@H]2CCCCNC2=O)s1 32878878 YPKLAFPSKMYVLX-QMMMGPOBSA-N 302.425 1.357 0 40 DDAB COc1ccc(C(N)=O)cc1NCC(=O)N1CCC(C)CC1 71904275 WSJDEMIPYSTSBG-UHFFFAOYSA-N 305.378 1.465 0 40 DDAB NC(=O)Nc1ccc(NC(=O)CCCNC(=O)C2CC2)cc1 32937401 CTBULFDMXNFREC-UHFFFAOYSA-N 304.350 1.422 0 40 DDAB Cc1cccc(-n2ncc(C(=O)N3CCn4c(C)nnc4C3)n2)c1 69489002 UWGJFNCQSRMDBO-UHFFFAOYSA-N 323.360 1.132 0 40 DDAB COCCOc1ccc(NC(=O)NC[C@H]2CCN(C)C2)cn1 69419384 QOSWYDNPOFMSGJ-GFCCVEGCSA-N 308.382 1.180 0 40 DDAB CCCn1c(SCc2cc(C(=O)OC)c(C)o2)n[nH]c1=O 9739981 JTQSWPJYOJKNIE-UHFFFAOYSA-N 311.363 1.962 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108526048 IFNRYNUEXIHIBO-SIXLDLHFSA-N 315.417 1.539 0 40 DDAB CC(=O)Nc1nc(NC(=O)CCC(=O)O)n(-c2ccccc2)n1 550909 BCYIIHJHKURZCX-UHFFFAOYSA-N 317.305 1.029 0 40 DDAB O=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 89774713 VATNSDIKJMWYOG-OAGGEKHMSA-N 322.380 1.229 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCN(CCO)CC1 42287287 AADXXCSMXWTSGT-HZPDHXFCSA-N 319.449 1.171 0 40 DDAB CC[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCCC1 42500049 AWEWAIGFZGMKCI-CQSZACIVSA-N 313.405 1.872 0 40 DDAB COc1cccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 23624340 WEMAGPWKMFMEQN-INIZCTEOSA-N 304.390 1.632 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)c3cccnc3N(C)C)C2)n1 54662369 DADKYPCTXRFSDS-LBPRGKRZSA-N 315.377 1.859 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)Nc1nncs1)N(C)C 43130267 ZFFRPIXFBJSRIB-LLVKDONJSA-N 321.406 1.971 0 40 DDAB CC[C@H](C)[C@H](C(=O)O[C@H](C)C(=O)NC(N)=O)c1ccccc1 106520223 WTBXAAQCXSZQDA-LOWVWBTDSA-N 306.362 1.943 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108526050 IFNRYNUEXIHIBO-ORQFMDKSSA-N 315.417 1.539 0 40 DDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C[C@H](C)O)CC2)cc1 106780943 AZHGJWYNGQWWGP-JQFCIGGWSA-N 318.417 1.324 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)OCC(=O)N2 47931705 AKSJCUAJAMPDJT-SNVBAGLBSA-N 300.318 1.033 0 40 DDAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)CCn2c(C)csc2=O)C12CCC2 108171098 MEZMRRVNEHSHOZ-FPMFFAJLSA-N 324.446 1.928 0 40 DDAB CCOCCN1CCN(CC(=O)N[C@@H](C)c2ccco2)CC1 69627090 IVUIUSWEGGEQCJ-AWEZNQCLSA-N 309.410 1.111 0 40 DDAB CC[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCO1 27116741 VXIIXRDGEKMNFX-ZDUSSCGKSA-N 307.781 1.959 0 40 DDAB Cc1nc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2ccco2)cs1 58296864 JHOHUIZOGHKTRY-PORFMDCZSA-N 319.386 1.879 0 40 DDAB COc1ncccc1CNC(=O)NCc1ccc(N(C)C)nc1 44914818 OXMBKLKMGFPAAI-UHFFFAOYSA-N 315.377 1.551 0 40 DDAB CCOc1ccc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc1 10391106 UMTNJWNUNOOMKR-UHFFFAOYSA-N 317.349 1.276 0 40 DDAB Cn1c(Cl)cnc1CNS(=O)(=O)c1cccc(F)c1 58433327 XXCQLUFGYUMXGM-UHFFFAOYSA-N 303.746 1.691 0 40 DDAB CNC(=O)C1CCN(C(=O)NCCOc2cccc(C)c2)CC1 48290132 SGBUNBGRHFGCPB-UHFFFAOYSA-N 319.405 1.541 0 40 DDAB COC(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 12881261 PDQGESCTZYBXPC-UHFFFAOYSA-N 308.359 1.971 0 40 DDAB Cc1cc(C(=O)N2CCN(CCc3ccncc3)CC2)on1 69580587 QAUZFOMJHDPBRK-UHFFFAOYSA-N 300.362 1.379 0 40 DDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CO)c1 48865122 VSJYUGMYDMVFBU-CYBMUJFWSA-N 312.391 1.099 0 40 DDAB Cn1ncc2c(Nc3ccccc3)nc(N3CCOCC3)nc21 9276252 CILVARSBNGPPOJ-UHFFFAOYSA-N 310.361 1.944 0 40 DDAB O=C(c1ccsc1)N1CCCN(CCn2cccn2)CC1 64142968 GNPLVKZMSJEVEZ-UHFFFAOYSA-N 304.419 1.793 0 40 DDAB CCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1 13728340 AKYSVPYVYMHTMK-UHFFFAOYSA-N 308.407 1.633 0 40 DDAB O=C(CNC(=O)c1ccco1)NCCCOc1ccccc1F 8777912 JCXDEBROPDXNGR-UHFFFAOYSA-N 320.320 1.734 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 65592123 HCJHUDKSLULPTP-QFIPXVFZSA-N 322.430 1.364 0 40 DDAB CCCc1sc(C(=O)OCC(=O)N2CCNC2=O)cc1CC 5364327 YDAAMGUVZQAQSH-UHFFFAOYSA-N 324.402 1.972 0 40 DDAB CC(=O)NCCNC(=O)c1c(C)nn(-c2ccccc2)c1Cl 6509447 LAHFLVOSFFGTGM-UHFFFAOYSA-N 320.780 1.700 0 40 DDAB CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 96005800 RDBRCUBSXRNCHG-NSHDSACASA-N 324.410 1.150 0 40 DDAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(O)cc2)cn1 70902517 HFAWGTUOTBNNQG-UHFFFAOYSA-N 314.345 1.108 0 40 DDAB CCN(CC)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 67469182 KJLLAVJYWBYCHE-LLVKDONJSA-N 313.423 1.707 0 40 DDAB C[C@H]1CCNC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 71413054 RAAFCTRPZNWDPG-WRWORJQWSA-N 308.325 1.380 0 40 DDAB CNC(=O)CN(C)c1ncnc2sc3c(c12)CC[C@@H](C)C3 7467546 WKAOKNOOLNYUGB-SECBINFHSA-N 304.419 1.998 0 40 DDAB CS(=O)(=O)c1ccc(N2CCCC[C@H]2C(=O)O)c(F)c1 16158931 ADVWBBDLQVPIER-LBPRGKRZSA-N 301.339 1.673 0 40 DDAB COc1ccc(NC(=O)CNC(=O)c2ccccc2F)cn1 8016802 RMIWNFDWEQDWEY-UHFFFAOYSA-N 303.293 1.598 0 40 DDAB Cc1ccc(OCC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 8189921 WNIDIGSPHZDSIH-UHFFFAOYSA-N 310.309 1.896 0 40 DDAB CC(C)c1cc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)on1 69304541 CNFFADBTQYNPJM-CYBMUJFWSA-N 323.393 1.964 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(F)ccc1F 9513634 PNFFLVNKXDYITE-UHFFFAOYSA-N 323.299 1.768 0 40 DDAB C[C@H]1CN(C(=O)c2cccnc2-n2cccn2)CC(C)(C)O1 71831168 PURKLOPFUSLOCD-LBPRGKRZSA-N 300.362 1.907 0 40 DDAB NC(=O)COc1ccc(CNCc2cccc3c2OCO3)cc1 71820839 BFCAIUBDUBTPMR-UHFFFAOYSA-N 314.341 1.569 0 40 DDAB CC(C)(C)c1ccc(CNC(=O)N2CCS(=O)(=O)CC2)cc1 71803950 QRPWNSGHMFUAJP-UHFFFAOYSA-N 324.446 1.924 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269152 SVZMNFCBKCABSR-NWDGAFQWSA-N 324.343 1.013 0 40 DDAB Cn1cnc(-c2ccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)cc2)n1 97096175 FZLQHUALNUDDRL-SMDDNHRTSA-N 313.361 1.541 0 40 DDAB Cc1cc(NC(=O)CN(C)C(=O)c2cc(N(C)C)ccn2)no1 97000355 LWBFOUFBYKKMGC-UHFFFAOYSA-N 317.349 1.155 0 40 DDAB O=C(Cc1ccc(O)cc1)NC[C@@H]1CCN(CC(F)(F)F)C1 84397836 WHQPRGBKERHNHL-LBPRGKRZSA-N 316.323 1.935 0 40 DDAB C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 72868654 LRQIGJYLPWOGCB-HIFRSBDPSA-N 318.421 1.024 0 40 DDAB CCC(CC)[C@H](CNC(=O)c1cc[nH]c(=O)c1)N1CCOCC1 84727394 GLZHLDLTYQNFMQ-HNNXBMFYSA-N 321.421 1.242 0 40 DDAB CC(C)[C@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1nnc2n1CCC2 95411270 ZXJKAYBLCQKVCJ-OCCSQVGLSA-N 321.425 1.334 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 95448152 YZZJRMHBYHRPMK-OAHLLOKOSA-N 324.446 1.853 0 40 DDAB C[C@H](c1ccc(NC(=O)N2CCOCC2)cc1)N1CCOCC1 78600319 HTISROBIPZBKTQ-CQSZACIVSA-N 319.405 1.944 0 40 DDAB COc1ccccc1NCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 73921242 BBWUDFKSEMCYGG-ZDUSSCGKSA-N 318.295 1.633 0 40 DDAB Cc1ccc(C)n1-c1nc(CC(=O)N2CC[C@H](O)C2)cs1 85378977 SYYVLLWAZCIYDM-ZDUSSCGKSA-N 305.403 1.686 0 40 DDAB O=C(NCCNC(=O)C(F)(F)C1(O)CCC1)c1cccs1 95978333 XMSDMYDRLLPAGI-UHFFFAOYSA-N 318.345 1.144 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 95955797 UBBGOXUWPACWDQ-ZDUSSCGKSA-N 313.357 1.756 0 40 DDAB CC(C)n1ccnc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 95986381 WXAXOLUCATVODG-LBPRGKRZSA-N 322.434 1.962 0 40 DDAB CCn1c(C)nnc1CN1C(=O)N(C)C2(CCCCC2)C1=O 95994805 USOIVXIOQVWVMA-UHFFFAOYSA-N 305.382 1.703 0 40 DDAB Cc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)[nH]n1 89568628 WIRIJDJYZNTYQM-UHFFFAOYSA-N 314.267 1.941 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]1Cn1cccn1 75133017 FSAUEMHEPXNSDB-KFWWJZLASA-N 306.410 1.031 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)o1 79438586 FMDUNRDBATUWGN-QMMMGPOBSA-N 324.362 1.964 0 40 DDAB CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NC2CC(F)(F)C2)C1 306142541 XCMXTZZKKMQQFX-LBPRGKRZSA-N 312.320 1.090 0 40 DDAB Cc1cc(CNC(=O)N2CCN(Cc3ccccn3)CC2)no1 548114861 JFNPOWNAILRPNE-UHFFFAOYSA-N 315.377 1.405 0 40 DDAB CN(C)c1nccc(NC(c2nccn2C)c2nccn2C)n1 528129596 IOSQKVZGXPJIIR-UHFFFAOYSA-N 312.381 1.211 0 40 DDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccs1 71979991 XYXBSTVYYYIMMH-SNVBAGLBSA-N 310.375 1.096 0 40 DDAB Cc1nccc(N2CCC[C@@](C)(c3[nH]ncc3C(N)=O)C2)n1 72388733 HZYJBKNJGVTYLN-OAHLLOKOSA-N 300.366 1.165 0 40 DDAB CC(C)C(=O)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327375 HMNGWVWRIVKJCK-OLZOCXBDSA-N 311.385 1.968 0 40 DDAB Cc1ccnc([C@]2(C)CCCN2S(=O)(=O)c2cnn(C)c2)n1 72388561 YMJUOPXGUJJVCV-AWEZNQCLSA-N 321.406 1.218 0 40 DDAB O=C(NCCn1nc(-c2cccs2)ccc1=O)[C@H]1CCCO1 72346820 MSEOXNKZTNVVSP-GFCCVEGCSA-N 319.386 1.267 0 40 DDAB CC(C)[C@@H](C(=O)NC[C@]1(O)CCSC1)N1CCCCC1 82967233 SUXNMHXYVGDVQT-DZGCQCFKSA-N 300.468 1.481 0 40 DDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](O)c1ccoc1 75171968 PBSQKEFRAQDDLB-CYBMUJFWSA-N 322.748 1.399 0 40 DDAB CN(C[C@H](O)C(F)(F)F)S(=O)(=O)CCc1cccs1 195404398 DKIUELGDFOIMFG-VIFPVBQESA-N 317.354 1.475 0 40 DDAB CNc1snc(C)c1C(=O)N1CC[S@@](=O)C(C)(C)C1 88294120 OZJUSNVAZHSNMK-IBGZPJMESA-N 301.437 1.476 0 40 DDAB Cc1nc(N2CCc3ncnc(N(C)C)c3C2)c2cnn(C)c2n1 97201933 VUKKMAKZEJKLTH-UHFFFAOYSA-N 324.392 1.090 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(C=O)CC[C@@]314 96316348 AZHWHXLRFIFKTO-NUTGUDPMSA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)CC12CCOCC2 96052108 GTSOKOASWJJHKZ-MRXNPFEDSA-N 317.433 1.835 0 40 DDAB c1cnc(N2CCO[C@@H]3CN(Cc4cccs4)C[C@@H]3C2)nc1 96249537 PGCFOKSUIMQYLR-UKRRQHHQSA-N 316.430 1.875 0 40 DDAB O=C([C@@H]1CCCO1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187929 VMQWZXMBDMEBPO-GJZGRUSLSA-N 319.405 1.447 0 40 DDAB C[C@@H](CCNC(=O)Cc1ccc(O)cc1Cl)[S@@](C)=O 96486969 CBVNIPCGEZDRPL-UGZDLDLSSA-N 303.811 1.861 0 40 DDAB CCn1nc(C)c(CNC(=O)NC[C@](C)(O)c2ccco2)c1C 96439905 XWAYUXHUSWVHBA-INIZCTEOSA-N 320.393 1.820 0 40 DDAB CCOC[C@H]1CN(c2cc(OC)ncn2)Cc2cnn(C)c21 96044711 KPKDKKABCFYLME-GFCCVEGCSA-N 303.366 1.359 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccccn3)C2)n1 96057634 AJZSJBPDPJRXDJ-IACUBPJLSA-N 314.345 1.560 0 40 DDAB O=C1OCC[C@H]1N1CCN(c2ncnc3ccsc23)CC1 96424528 BJPBZBZGKLRGRV-LLVKDONJSA-N 304.375 1.129 0 40 DDAB CCc1nccn1CC(=O)N1CCOC[C@@H]1c1[nH]ncc1C 257207926 BJXXTQWOVPGVJU-GFCCVEGCSA-N 303.366 1.077 0 40 DDAB CC(C)(C)CC[C@@H](CO)NC(=O)c1cncc(-n2ccnn2)c1 252480910 CGFRJWVJXWCFKB-ZDUSSCGKSA-N 317.393 1.579 0 40 DDAB CC(C)NC(=O)c1nsc(C(=O)NC2CCCCC2)c1N 62006807 XSRQASHQPQVQCR-UHFFFAOYSA-N 310.423 1.926 0 40 DDAB C[C@@]12C[C@H](CNC(=O)CCn3ccnc3)N[C@@H]1CCCC[C@@H]2O 257259528 KYTQKMCAPNTUCB-PNBKFKSVSA-N 320.437 1.061 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CC[C@@](O)(CN2CCCC2)C1 257254554 KDPKQBDICXUEIG-QGZVFWFLSA-N 316.405 1.027 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)N2CCc3ccccc3C2)C1 257263707 LRCNMEYWBFRNMD-KRWDZBQOSA-N 302.374 1.209 0 40 DDAB CCn1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c(C)n1 257234739 GUXDTZQFSOKJFT-AWEZNQCLSA-N 301.350 1.215 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](O)[C@H](O)[C@]2(C)C12CC2 257372312 JEEMXIZVKNXKNM-LSFSDZQMSA-N 322.401 1.565 0 40 DDAB in-vitro CN(c1cnccn1)S(=O)(=O)c1ccc2c(c1)CCCO2 285135147 JEJRIDXGPUXNOP-UHFFFAOYSA-N 305.359 1.627 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(F)c(F)c1)[C@@H]2C 585096919 FPAGZFZLPFETLY-SECBINFHSA-N 322.315 1.920 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 585178889 BAAOOOZZEXUGGT-NSHDSACASA-N 321.406 1.081 0 40 DDAB Cn1ccc(CN2CC[C@](O)(COc3cccc(F)c3)C2)n1 585269108 KCYOCPXZOLGKCS-MRXNPFEDSA-N 305.353 1.575 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Cl)cc1Cl 14125539 DRZQRYIPKQZRFX-UHFFFAOYSA-N 314.128 1.482 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1F 48666457 KYDCWMBOEJVODW-UHFFFAOYSA-N 322.789 1.755 0 40 DDAB CC(C)N(C)CCCNC(=O)c1cn(C)nc1C(F)(F)F 53011409 LNDBYHBXPPXNRB-UHFFFAOYSA-N 306.332 1.899 0 40 DDAB CC(C)CN1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 55274990 RNCHITHCJVOQGL-OAHLLOKOSA-N 315.417 1.913 0 40 DDAB O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@@H]1O 100058906 NBQYBZYBTNQEQG-HUUCEWRRSA-N 304.254 1.186 0 40 DDAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101419670 CHBDFQHJNUSUGR-YVCQSUGNSA-N 316.401 1.583 0 40 DDAB COc1cc(N2CCN(c3ccnc(C(C)C)n3)CC2)ncn1 302141836 HHYNXRUGTDMZSQ-UHFFFAOYSA-N 314.393 1.725 0 40 DDAB COc1cc(N2CCN(c3ncnc4c3CCC4)CC2)ncn1 545891303 TZBTZQHYAKMBCJ-UHFFFAOYSA-N 312.377 1.091 0 40 DDAB Cn1cncc1CN1CCO[C@](CO)(Cc2ccccc2)C1 1615191393 KSSZYIUWBFISMF-QGZVFWFLSA-N 301.390 1.226 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCCc1ccccc1 5515099 VVNIFBGDEIBLTC-UHFFFAOYSA-N 312.369 1.670 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 16199510 NARZYIZFZUBSCB-UHFFFAOYSA-N 316.380 1.988 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)no3)C2)cn1 19290535 BKPVDYMBWFTSDB-LLVKDONJSA-N 324.344 1.495 0 40 DDAB CCn1ccnc1CN1CCC2(CC1)C[C@H](NC(C)=O)CN2C 19704258 WLYBTDNYUZVKTN-HNNXBMFYSA-N 319.453 1.078 0 40 DDAB Cc1cc(C)cc(OCc2noc(Cn3nnnc3C)n2)c1 154597522 HBZWRJNQWZMSJW-UHFFFAOYSA-N 300.322 1.609 0 40 DDAB Cc1oncc1CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 1888844566 IBFLBWGUQAQQJY-GJZGRUSLSA-N 311.341 1.604 0 40 DDAB Cc1cccc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)c1 1888865760 SMTAKKQLBTUHCE-MRXNPFEDSA-N 320.458 1.771 0 40 DDAB O=S(=O)(NC1CCN(c2ncc(Cl)cn2)CC1)C1CC1 1888864265 CWXFCCLAOJBQIA-UHFFFAOYSA-N 316.814 1.181 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 52669118 UPHMZEAOJFXUEY-CYBMUJFWSA-N 302.827 1.854 0 40 DDAB Cc1ccc(CNC(=O)CSc2nnc(C)c(O)n2)cc1 1281519 LFTFDNZOBCXQPN-UHFFFAOYSA-N 304.375 1.603 0 40 DDAB COC(=O)N1CCC(CNC(=O)Cc2cccc(OC)c2)CC1 43982233 YIDOFHDJEVSIMM-UHFFFAOYSA-N 320.389 1.832 0 40 DDAB COc1ncccc1C(=O)NCCc1ccc2c(c1)OCO2 40496186 QHZAKIOJLJWBSX-UHFFFAOYSA-N 300.314 1.791 0 40 DDAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 31604342 JCDCAFDGFLDFTH-LLVKDONJSA-N 316.386 1.834 0 40 DDAB C[C@@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)N1CCOCC1 40509857 ZJFQWIPIYRTGKL-XHDPSFHLSA-N 324.808 1.480 0 40 DDAB COc1ccc(-c2c(N)[n+]([O-])c3ccccc3[n+]2[O-])cc1OC 1616542 FMAYVRJZZULQNG-UHFFFAOYSA-N 313.313 1.373 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1C 3518280 QCGXFAUMUFHAIU-UHFFFAOYSA-N 304.302 1.744 0 40 DDAB CN(Cc1ccco1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 101270368 PJWTUTRLYJGVMY-OKILXGFUSA-N 316.357 1.579 0 40 DDAB CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NC)o1 29501790 IILKUKFTQSTNFG-UHFFFAOYSA-N 312.347 1.443 0 40 DDAB O=C(Nc1nc[nH]n1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 20724384 JDZKIJZDVZDUDP-SNVBAGLBSA-N 319.752 1.445 0 40 DDAB CS(=O)(=O)CCN1CCC(NC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101543103 NAWUVXZLACYXJK-KKUMJFAQSA-N 312.479 1.297 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2CCOC[C@H]2C2CC2)c1C 89781951 VYRXOWNHFZNCHE-ZDUSSCGKSA-N 313.423 1.319 0 40 DDAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nncs1 21215746 VRKCRIGGLNJSMC-UHFFFAOYSA-N 310.766 1.950 0 40 DDAB CS(=O)(=O)NCCc1ccc(C(=O)Oc2ccccc2)cc1 32836460 YXKCIJLPOSCCJC-UHFFFAOYSA-N 319.382 1.998 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccoc2C)CC1 32907622 ZZQBTUOTEAUKAR-UHFFFAOYSA-N 300.380 1.132 0 40 DDAB Cc1cc(NC[C@@H]2CCOC2)n2nc(C(F)(F)F)nc2n1 42106730 CVOQMYHZYYUZFD-QMMMGPOBSA-N 301.272 1.900 0 40 DDAB COc1ccc(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 22740736 WPDSTWZJJYTNNS-OAHLLOKOSA-N 311.403 1.321 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3ccno3)CC2)C1=O 108532313 QTKBFMMSCJWKIM-MRXNPFEDSA-N 321.377 1.166 0 40 DDAB C[C@H](COc1ccccc1)NC(=O)c1ccnc(-n2cncn2)c1 54099064 NLDSZHOUTCTZKR-CYBMUJFWSA-N 323.356 1.860 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)NC[C@H]1CCCO1 47580213 DUMJOJMDTOUJEU-CYBMUJFWSA-N 301.350 1.246 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 23409021 HVSVJKJMVMYOJB-JKSUJKDBSA-N 304.390 1.043 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 23886821 HDNGTQKDRLJZQQ-CQSZACIVSA-N 310.419 1.425 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1C 100187812 COZJIDVUGQIJMN-IDCJVQTKSA-N 313.353 1.499 0 40 DDAB CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 96009705 UJUSIFSNVDMQBB-UKRRQHHQSA-N 309.454 1.480 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 24987937 QDDRZHDJPDOQPX-AWEZNQCLSA-N 323.360 1.203 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(c2ccccc2)CC1 43494070 HDUMEILDNMNWMU-OAHLLOKOSA-N 307.415 1.827 0 40 DDAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc3c1OCCO3)CCO2 107720110 JILYFARMQRMHGT-XPKDYRNWSA-N 319.357 1.476 0 40 DDAB O=C(COc1ccccc1)NCCNC(=O)C[C@H]1C=CCC1 25998110 MSZBYKKJBPCVQM-AWEZNQCLSA-N 302.374 1.654 0 40 DDAB COc1ccc([C@H](CC(=O)Nc2nc[nH]n2)NC(C)=O)cc1 26259350 KSGKQIYZBMRCTD-LBPRGKRZSA-N 303.322 1.019 0 40 DDAB c1ncn(-c2ccc(CNC[C@@H]3CN(C4CC4)CCO3)cc2)n1 69738476 RZQGKGXOVOGTIB-QGZVFWFLSA-N 313.405 1.220 0 40 DDAB CCC[C@@](C)(NCC(=O)N(C)Cc1ccccc1)C(=O)OC 69739442 KPXZYIRLABHDOX-QGZVFWFLSA-N 306.406 1.966 0 40 DDAB COc1ccc(CCNC(=O)CSc2cccc[n+]2[O-])cc1 3222847 MTVUFLPSEZIZSS-UHFFFAOYSA-N 318.398 1.780 0 40 DDAB Cc1nc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n[nH]1 69776054 IHDZNKXADSAFTK-CYBMUJFWSA-N 302.334 1.923 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccccc2F)C1 58103115 RUAZWTICANABDO-SNVBAGLBSA-N 315.370 1.371 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C[C@H](NC(C)=O)c1cccs1 44895533 VSVIEXWNJJIESP-KBPBESRZSA-N 323.462 1.916 0 40 DDAB CC(C)c1nc(CN(C)CC(=O)Nc2ccc(O)cc2)no1 58209148 XXJSEYPXYRDMKO-UHFFFAOYSA-N 304.350 1.969 0 40 DDAB COCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O 60345308 BFEMHQDWNQTHQF-GFCCVEGCSA-N 315.373 1.696 0 40 DDAB Cc1ccc2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 44908136 LYQKDJOKCDNAEE-NSHDSACASA-N 306.387 1.641 0 40 DDAB O=C(NCc1cccnc1)Nc1ccc(N2CCOCC2)nc1 44951490 DQYPVEVTNYDIKR-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)OCC3CC3)cc2)C1 58390490 XHFXSANEPTZNIE-AWEZNQCLSA-N 302.374 1.955 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COCc1ccccc1Cl 58367359 MGNYLZDNPLXPTR-VXGBXAGGSA-N 324.808 1.969 0 40 DDAB COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 58847565 FQOSTHMBJHXTJU-JTQLQIEISA-N 314.363 1.012 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc2c(c1)OCCCO2 48220568 QJNJOPUEIOYITH-DGCLKSJQSA-N 318.373 1.551 0 40 DDAB C[C@H]1CCc2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)csc2C1 12850665 RSAVOHZYHZLURD-VHSXEESVSA-N 313.444 1.790 0 40 DDAB CC(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCC2)c1 3461924 XUKUZQNZCZGYOM-UHFFFAOYSA-N 304.346 1.861 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)CNC(=O)C1CC1 69520897 IIMTUTWBWJSUPF-UHFFFAOYSA-N 318.373 1.023 0 40 DDAB CC(C)(C)OC(=O)NC1CN([C@H](C(=O)O)c2cccnc2)C1 66354382 FZFRLJYWTHBXGV-LBPRGKRZSA-N 307.350 1.416 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 4113711 OMUMNNNUOXVUFT-ZDUSSCGKSA-N 308.309 1.643 0 40 DDAB CC[C@](C)(CO)NCCS(=O)(=O)c1cccc(OC)c1 69968369 ANIWSETXKUMGPE-CQSZACIVSA-N 301.408 1.220 0 40 DDAB CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1 4302585 BYEQTXCRDUUFOQ-NSHDSACASA-N 321.354 1.052 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CCc2nccn2C1 65487953 NRGPJYQUZXOGAG-ZDUSSCGKSA-N 316.453 1.911 0 40 DDAB CC(C)C[C@H]1COCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 71040876 DFYPWKBARYHUBV-LBPRGKRZSA-N 303.362 1.743 0 40 DDAB CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1 7359094 MQXMCRRNGQMPRN-UHFFFAOYSA-N 301.346 1.179 0 40 DDAB COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 68603538 XVOMKCVOLOSQTJ-GFCCVEGCSA-N 312.272 1.392 0 40 DDAB Cc1ccc(F)c(-n2nnnc2CN[C@@H](C)Cn2cccn2)c1 69368527 ZDMJBQOJGHBODA-LBPRGKRZSA-N 315.356 1.485 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2ccn(C)c(=O)c2)CC1 71836908 XVPNXEHMVFQAIY-UHFFFAOYSA-N 316.405 1.308 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 71837303 KESLGCAKUJJYNF-GJZGRUSLSA-N 319.380 1.979 0 40 DDAB COCCNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 83911676 IZSNEBIFJJDETH-UHFFFAOYSA-N 320.441 1.911 0 40 DDAB COCC(=O)N(C)CC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 89916911 CUUPGFSWERBWHI-YCPHGPKFSA-N 318.417 1.884 0 40 DDAB C[C@]1([C@H]2CCCN(Cc3ccccc3F)C2)NC(=O)NC1=O 89917267 KJWBWYRVCYBKGD-BLLLJJGKSA-N 305.353 1.636 0 40 DDAB CCNC(=O)NCCCOC(=O)[C@@H]1Cc2ccccc2C(=O)O1 89977481 WUFHJUZNEZLUDB-ZDUSSCGKSA-N 320.345 1.021 0 40 DDAB Cc1nc2sccn2c1CNC[C@@H]1CCc2nnc(C)n2C1 72267355 AJMXPYQBQDHQMY-LBPRGKRZSA-N 316.434 1.956 0 40 DDAB Fc1cccc2[nH]c(CN3CCO[C@@H](Cn4cncn4)C3)nc12 72253408 DKLRIYHJUQOWHQ-LLVKDONJSA-N 316.340 1.195 0 40 DDAB O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1n[nH]c(=O)[nH]1 72282461 UFEPIESBSSXLPF-QMMMGPOBSA-N 313.144 1.822 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)C1CC1)NC(=O)C1CC1 75610985 RBCDECGGBOHUFH-CQSZACIVSA-N 302.374 1.789 0 40 DDAB O=C(NS(=O)(=O)N1CCCCC1)c1cccc2cc[nH]c12 76090292 NFVFLOBYODSBJM-UHFFFAOYSA-N 307.375 1.628 0 40 DDAB COC(=O)[C@@H](F)CN1CCC[C@H](C(=O)N2CCC(C)CC2)C1 76018450 GBVSBTRZOVDOCB-KBPBESRZSA-N 314.401 1.468 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1cccc(-c2ncon2)c1)C(N)=O 78965154 SMZYYTIWEHITFO-JOYOIKCWSA-N 302.334 1.366 0 40 DDAB CCN(C[C@H]1CN(Cc2ncc(C)o2)CCO1)c1cccnn1 84774688 DPKTTXTZDPFSNF-CQSZACIVSA-N 317.393 1.500 0 40 DDAB COCCOc1ccc(NC(=O)N2CC(n3ccnc3)C2)cn1 95462308 XEAQFCTXDGGMFI-UHFFFAOYSA-N 317.349 1.392 0 40 DDAB NC(=O)c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 95453929 PLGPIFYXSDJVLY-MRXNPFEDSA-N 309.369 1.198 0 40 DDAB NNc1nc2nonc2nc1Nc1cccc(Br)c1 98086422 GXQUAWQVOVHVTF-UHFFFAOYSA-N 322.126 1.805 0 40 DDAB CCOC(=O)N1CCc2nn(CCCCCOC)c(=O)cc2C1 95946370 OLJUMNAWVHWOFA-UHFFFAOYSA-N 323.393 1.575 0 40 DDAB Cc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1 74986708 LTTQWQVLYPQXCO-UHFFFAOYSA-N 324.446 1.591 0 40 DDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2ccccc2oc1=O 75107250 VYDMAPCPKGVGPU-ZDUSSCGKSA-N 324.340 1.958 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@H](c3cc(N)nc(C)n3)C2)nc1 72387837 NEWUCTHXOPKWBY-AWEZNQCLSA-N 313.361 1.284 0 40 DDAB CN(C)CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 36359175 AYDXIZLNWKHIJE-UHFFFAOYSA-N 301.346 1.162 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](C(=O)OCCc2cccs2)C1 78442603 ABOBKILLMICNDW-LLVKDONJSA-N 317.432 1.505 0 40 DDAB C[C@]1(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)CCCCO1 32577574 HFJMOBXDXWSVSS-BLLLJJGKSA-N 305.378 1.435 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(F)cc2)C[C@H](C)O1 32895384 OCGZRHCHNNYFFU-RYUDHWBXSA-N 316.398 1.312 0 40 DDAB NS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217404020 MRTYMHWSDAWEGA-UHFFFAOYSA-N 320.370 1.687 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c1C 72239040 MNFGYZLRXIYBFL-UHFFFAOYSA-N 311.411 1.671 0 40 DDAB CCN(CC)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241690 XJXLNJBDKBIZRM-CABCVRRESA-N 308.353 1.592 0 40 DDAB CN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392862 NGKJFHJMXVQKKA-HNNXBMFYSA-N 319.405 1.452 0 40 DDAB NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1F 44556859 XHHUZISZUJVLMZ-VIFPVBQESA-N 306.790 1.981 0 40 DDAB Cc1nccn1-c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 72355690 URYYKXXTCLLAHO-CYBMUJFWSA-N 320.418 1.715 0 40 DDAB Cc1csc(N2CCN(C(=O)C[C@@H]3CCCNC3)CC2)n1 566688885 KKQBAIQAWIVIOA-ZDUSSCGKSA-N 308.451 1.490 0 40 DDAB NC(=O)[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 40481470 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Cc1nc(CN2C[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]3C2)cs1 96161534 WNHWHXFAOUUGSJ-MCIONIFRSA-N 321.446 1.378 0 40 DDAB CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)Nc3cccnc3)[C@H]2C1 96043511 YVQDRVKTZIMIPA-RBSFLKMASA-N 303.362 1.294 0 40 DDAB O=C(c1cscn1)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046329 RLPOOJXAUQOPEF-LEWSCRJBSA-N 316.386 1.925 0 40 DDAB COc1cc(N2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)ncn1 96249312 BYBFIOULTMMQFA-HUUCEWRRSA-N 318.421 1.565 0 40 DDAB Cn1cc(CCCCNC(=O)N2CCOC[C@H]2C2CC2)cn1 96485516 YWAQTPLNQLAUMV-HNNXBMFYSA-N 306.410 1.563 0 40 DDAB O=S1(=O)CC[C@H](c2nn3c(-c4ccncc4)nnc3s2)C1 96232278 INPYNLAVNZQONZ-VIFPVBQESA-N 321.387 1.150 0 40 DDAB O=C(O)CCC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257256036 KJVOYXOBHPWTCW-UHFFFAOYSA-N 318.333 1.006 0 40 DDAB CN1C(=O)N(Cc2ccnn2C)[C@H]2CC[C@@H](c3cnccn3)[C@H]21 257331067 XRGKIBQBZNEVMF-AEGPPILISA-N 312.377 1.392 0 40 DDAB Cn1ccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)n1 257227427 FPFIMKODJRFOTL-ZDUSSCGKSA-N 301.350 1.382 0 40 DDAB 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COC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 12971395 CAYBYXWSFXUFOD-LBPRGKRZSA-N 322.380 1.829 0 40 DDAB O=C1NC(=O)c2ccc(NC(=O)[C@H]3CCCO3)c3cccc1c23 17903480 RMXVTUATLLZDSB-CYBMUJFWSA-N 310.309 1.841 0 40 DDAB CCn1cc(C(=O)NC2CC2)c(=O)c2cc3c(cc21)OCO3 13689663 BMYNKNZRWDQKKJ-UHFFFAOYSA-N 300.314 1.642 0 40 DDAB C[C@H]1C[C@H](C)CN(CCNc2ncc(S(N)(=O)=O)s2)C1 69487108 BMEIHNOIVKNJLX-UWVGGRQHSA-N 318.468 1.180 0 40 DDAB Cc1ccc(S(=O)(=O)Oc2cc(C)nn3cnnc23)cc1 6214638 YERFJZURBJKVNT-UHFFFAOYSA-N 304.331 1.509 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNCc1c(C)n[nH]c1C 65492951 OZDKDROCZBNDQL-UHFFFAOYSA-N 322.434 1.366 0 40 DDAB CCN(CC(=O)NC)C(=O)Cc1cn(CC)c2ccccc12 65568501 HLMHPCJTCQOGMY-UHFFFAOYSA-N 301.390 1.798 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 14120633 KYXUWGBFACWHMZ-MRXNPFEDSA-N 321.352 1.365 0 40 DDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1cccs1 5992453 AJGFECZOLAFLMA-UHFFFAOYSA-N 318.185 1.928 0 40 DDAB CCNC(=O)N1CCN(C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 68251819 KOKVNAFWVIQVJR-LLVKDONJSA-N 321.425 1.014 0 40 DDAB Cc1cc(NC(=O)CN2CC(n3nc(C)cc3C)C2)n(C)n1 71880632 UEZYVBMBQVLBNN-UHFFFAOYSA-N 302.382 1.037 0 40 DDAB O=C1NCCN1C1CCN(CC[S@](=O)c2ccccc2)CC1 71856517 PJNYRZQUIROIJF-JOCHJYFZSA-N 321.446 1.284 0 40 DDAB CN(CCc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCCO1 71821813 QFGIUWYUQFDXDQ-CYBMUJFWSA-N 301.390 1.967 0 40 DDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[C@@H](O)c1ccccc1 9722350 CUAKVJMOKCGKOJ-JKSUJKDBSA-N 310.353 1.883 0 40 DDAB Cc1cc(CS(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)on1 72275140 LBOTXXLJFXQYMC-QWHCGFSZSA-N 300.380 1.456 0 40 DDAB COc1c([C@H]2CCCN2C(=O)c2nccnc2N)c(C)nn1C 72253217 WRSGCLRJAYOIFT-SNVBAGLBSA-N 316.365 1.087 0 40 DDAB CC[C@H](CC1CCCC1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 72290670 PSHQGORDCINNAR-WBMJQRKESA-N 307.394 1.403 0 40 DDAB CN(CCn1cncn1)C[C@H](c1cccs1)N1CCOCC1 75603895 YHSNQSZCPUJESB-CQSZACIVSA-N 321.450 1.345 0 40 DDAB Cc1ccc(-n2cc(C(=O)N[C@H]3CCc4nccn4C3)nn2)cc1 97197573 IXSIMJCTBKZVRN-ZDUSSCGKSA-N 322.372 1.517 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)[C@@H](C)Cc1cccs1 76089842 OPBJPMUGSYBLAH-JTQLQIEISA-N 304.437 1.630 0 40 DDAB COc1cccc(NC(=O)[C@@H](C)N(C)Cc2ncnn2C)c1 72305757 HEGFSNCSEBJDSN-LLVKDONJSA-N 303.366 1.283 0 40 DDAB Cc1ccc([C@@H](C)NCC(=O)N2CCC3(CC2)OCCO3)o1 97374065 YGUDAGNEIYBYAP-CYBMUJFWSA-N 308.378 1.604 0 40 DDAB CN(C)C(=O)CN(C)[C@H]1CCCN(c2cccc(F)c2)C1=O 72557467 IPJIHRHOEHOSJB-AWEZNQCLSA-N 307.369 1.341 0 40 DDAB O=c1[nH]c(=O)n(Cc2noc(-c3ccccc3)n2)cc1Cl 84564782 LIVCDAMJWYJDGF-UHFFFAOYSA-N 304.693 1.288 0 40 DDAB Cc1nc(N2CC[C@@](O)(C(F)(F)F)C2)c2cnn(C)c2n1 78299904 RLUDHKFTYKCPPM-NSHDSACASA-N 301.272 1.175 0 40 DDAB COC(=O)c1ccnc(N2CCCN(CC(C)(C)O)CC2)c1 95395035 NLHHGGSQTIHORL-UHFFFAOYSA-N 307.394 1.151 0 40 DDAB Cc1csc(S(=O)(=O)NCCCOC[C@H]2CCCO2)n1 95428031 HUELZCHXADVILE-LLVKDONJSA-N 320.436 1.316 0 40 DDAB COC(=O)c1ccc(C(=O)NCCCOC2CCOCC2)cn1 95401338 OBFMKUNCISWUJM-UHFFFAOYSA-N 322.361 1.184 0 40 DDAB CS(=O)(=O)N[C@H]1CCN([C@@H]2CCc3c(F)cc(F)cc32)C1 95433790 XXCRPYKMSIIDBG-IINYFYTJSA-N 316.373 1.576 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)C(=O)NC(C)(C)CC 95402481 ZAKXJJFVVVTDNF-CFVMTHIKSA-N 311.470 1.916 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)c1ccc(F)nc1 73332594 QTHPXNFVASPZOV-UHFFFAOYSA-N 303.337 1.901 0 40 DDAB O=C(CCc1ccccn1)N1CCC[C@@](O)(C(F)(F)F)C1 98016266 QNVNSJWPZOZDPF-ZDUSSCGKSA-N 302.296 1.930 0 40 DDAB O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1sccc1Br 85160419 FBLBKLJXKDMXNG-IYSWYEEDSA-N 320.164 1.171 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n(C)n1 95991655 TYHDYAWUTFSERD-RYCVTPFZSA-N 307.394 1.780 0 40 DDAB NC(=O)c1cnc(N2CCC(n3ccnn3)CC2)c(Cl)c1 95999396 DDRAWBVIECEJQR-UHFFFAOYSA-N 306.757 1.267 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCCC[C@H]1C(=O)O 95970335 YACLWKPZOAWDGX-MJBXVCDLSA-N 313.394 1.722 0 40 DDAB CC[S@@](=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 89104890 APLZUDJENDSAQC-FQEVSTJZSA-N 302.306 1.532 0 40 DDAB CCc1ccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)o1 89286565 JZEQOXSTUPWBDK-GFCCVEGCSA-N 316.361 1.501 0 40 DDAB Cc1cc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)no1 89600956 NODGMHLPTDZKLV-AWEZNQCLSA-N 307.737 1.767 0 40 DDAB CCc1cc(CC)nc(N2CCN(c3nnc(C)n3C)CC2)n1 1548518709 YOCPIODQSZEJPW-UHFFFAOYSA-N 315.425 1.365 0 40 DDAB Cc1nc(C(=O)N2CCC[C@H]2CO)nn1-c1ccc(Cl)cc1 125060477 KQUYWQFEXMBVTM-ZDUSSCGKSA-N 320.780 1.826 0 40 DDAB O=C(Cc1ccccc1Cl)NCCCn1ncccc1=O 38517175 ZWIADNCVJHDEFR-UHFFFAOYSA-N 305.765 1.646 0 40 DDAB O=C(Cc1cccs1)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 530359818 RVCBIDWZMNZHFB-UONOGXRCSA-N 320.418 1.675 0 40 DDAB COc1cc(OC)cc(C(=O)Nc2cnc(N(C)C)nc2)c1 75161688 KWBDJYIGZUWFMN-UHFFFAOYSA-N 302.334 1.812 0 40 DDAB O=C(O)CN(C(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 532602585 SIMIGBKNDOFPAA-UHFFFAOYSA-N 321.329 1.164 0 40 DDAB NC(=O)CN1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 72367833 WERCYIBQQBJSGV-NSHDSACASA-N 317.418 1.946 0 40 DDAB C[C@@H]1C(=O)N(CCOCC(F)(F)C(F)(F)F)C(=O)[C@@H]1C 189306705 TXLPCEVJNHKGGO-KNVOCYPGSA-N 303.227 1.842 0 40 DDAB C[C@H](N=c1[nH]c(-c2cccnc2)nc2c1CCC2)c1nc[nH]n1 538716469 QDICASUMWRCKST-JTQLQIEISA-N 307.361 1.740 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Sc1ncccn1 79044030 ZEYPOCBRTPPYPW-WDEREUQCSA-N 310.423 1.234 0 40 DDAB Cn1cc(S(=O)(=O)NCC(c2ccco2)c2ccco2)cn1 670879366 ROEMJTAPAFISCR-UHFFFAOYSA-N 321.358 1.717 0 40 DDAB COc1ccc(NC(=O)[C@H]2CSCCC(=O)N2)cc1Cl 75171345 IZLJQQCAFHUCSZ-SNVBAGLBSA-N 314.794 1.909 0 40 DDAB COc1ccc(CNC(=O)N2CC[C@H](c3nccn3C)C2)nc1 565872264 AMUCEFWBFAZQOU-LBPRGKRZSA-N 315.377 1.523 0 40 DDAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN(C(C)=O)C2)n1 72366399 XLHWKTZIANORAW-CYBMUJFWSA-N 304.394 1.190 0 40 DDAB CCCCOC(=O)c1ccc(Sc2nncn2N)c(N)c1 70462379 HLMBQBHZYHYHNU-UHFFFAOYSA-N 307.379 1.682 0 40 DDAB COc1ccc(CN2CCO[C@](C)(C(N)=O)C2)c2ccccc12 72379884 ARASQNYGJPEXKD-SFHVURJKSA-N 314.385 1.925 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](c3cccc(O)c3)[C@@H]12 16030560 OYYQTTDHEHANDY-MHNYQROPSA-N 304.350 1.074 0 40 DDAB biogenic COC(=O)c1ccc(S(=O)(=O)Nc2ccon2)cc1OC 225632559 FWTSMAWPANCYPU-UHFFFAOYSA-N 312.303 1.271 0 40 DDAB CCn1nccc1CNC(=O)[C@]1(C)Oc2ccccc2NC1=O 41545821 MTDPWILCSOEWPC-INIZCTEOSA-N 314.345 1.309 0 40 DDAB Cc1nc(CN(C)C(=O)C(=O)Nc2cccc(Cl)c2C)no1 134661052 WZYVAFCJTMFHGL-UHFFFAOYSA-N 322.752 1.937 0 40 DDAB Cc1nc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)cs1 41546396 ASVAJKJTISTAPM-HNNXBMFYSA-N 317.370 1.858 0 40 DDAB O=C(NCc1ncccn1)NC[C@H]1CCN1C1CCCCC1 528053362 WBJXOTTWTHRMNW-CQSZACIVSA-N 303.410 1.683 0 40 DDAB Cc1nc2n(c1CCNc1ncnc3c1cnn3C)CCCC2 49980007 VSSZUXZFSYEJAN-UHFFFAOYSA-N 311.393 1.859 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 96246130 ONQXSEBPCILPHD-ARFHVFGLSA-N 315.417 1.655 0 40 DDAB O=S(=O)(Nc1cnn(Cc2ccccc2)c1)N1CCCC1 96426088 PGGLKOHVYFQNDN-UHFFFAOYSA-N 306.391 1.684 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(O)n3n2)cc1 96319432 RFBWECUDABJDOD-UHFFFAOYSA-N 319.346 1.248 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2ccc(F)c(C)c2)[C@H](C)C1 96491183 SIFQEFRDBVNHLM-CYBMUJFWSA-N 322.380 1.844 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(C(=O)c1ccc(C)o1)CC2 96207412 IXVVQNUMHBCLLY-LBPRGKRZSA-N 306.362 1.203 0 40 DDAB CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)CC(C)(C)C)CC[C@@H]21 96251537 VCYMYFZNSVIXTI-QWHCGFSZSA-N 316.467 1.142 0 40 DDAB Cc1nc([C@@H]2CN(CCOc3ccc(F)cc3)CCO2)no1 95958084 FCQCNQOUYDUTNL-AWEZNQCLSA-N 307.325 1.969 0 40 DDAB NC(=O)c1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 97199894 JGSPWDKMRXJSCR-CYBMUJFWSA-N 303.387 1.816 0 40 DDAB CO[C@H]1CCN(C(=O)C2CC2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96109487 XWZZUFSLXMPBOJ-BBWFWOEESA-N 315.417 1.539 0 40 DDAB CC(C)c1ccc([C@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 230195456 SZWPEPLKHKFZJR-BBRMVZONSA-N 315.417 1.514 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96229027 INLJSZCLEMXNKN-QGZVFWFLSA-N 318.421 1.682 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 96241382 PKVIFCRTNWKLAV-UHFFFAOYSA-N 301.390 1.085 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncs3)n2)C1 257321167 WAJPABJIDJPFQD-SNVBAGLBSA-N 324.431 1.739 0 40 DDAB O=C(/C=C/c1ccccc1)N1CC[C@](O)(CN2CCCC2)C1 257245882 IRMLMQNSVQDSHS-BLGFXRMMSA-N 300.402 1.759 0 40 DDAB CCc1noc(CCC(=O)N2CCC3(CC2)OCCC[C@H]3O)n1 257203726 ARJMVJPHGTZXFJ-GFCCVEGCSA-N 323.393 1.097 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 257268559 MMFQZUHUQQFXGB-ZDUSSCGKSA-N 313.361 1.194 0 40 DDAB O=C(C1CCNCC1)N1Cc2nccn2C[C@H]1c1ccccc1 257220189 DJXYSAPRFXIECD-INIZCTEOSA-N 310.401 1.966 0 40 DDAB O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(-n2cccc2)cc1 85468387 LKCHTBOQDIGEEF-OFQRWUPVSA-N 300.358 1.339 0 40 DDAB Cc1cc(=O)n(CC(=O)NCc2ccc(-c3ccoc3)nc2)cn1 390831988 WMPYAENODNQTDC-UHFFFAOYSA-N 324.340 1.523 0 40 DDAB O[C@@]1(COc2cccc(F)c2)COCCN(c2ncccn2)C1 585276933 SSQMZXXCPKHIFC-MRXNPFEDSA-N 319.336 1.262 0 40 DDAB Cc1noc(CC(=O)N2CCC3(CC2)CC(N2CCCC2)C3)n1 585101524 PYTFJVAVHAQTOQ-UHFFFAOYSA-N 318.421 1.788 0 40 DDAB O=C(NC[C@@H]1CN(C2CCCC2)Cc2ccnn21)N1CCCC1 585111582 CXYKTOZCDOQBIV-MRXNPFEDSA-N 317.437 1.988 0 40 DDAB CC(C)(C)OC(=O)NCCn1c(=O)[nH]c2ccccc2c1=O 153339470 DHYGSPCIOPUQBM-UHFFFAOYSA-N 305.334 1.215 0 40 DDAB C[C@H](NC(=O)NCCc1nccs1)C(=O)N1CCCC[C@H]1C 65550835 OIKFONFFAYHKJD-NEPJUHHUSA-N 324.450 1.774 0 40 DDAB Cc1ccn(CCNc2cncc([C@H]3CCCN(C)C3)n2)n1 72365334 ZYQWETGOSXQOHY-AWEZNQCLSA-N 300.410 1.903 0 40 DDAB CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3cccnc3)nn2)C1 72366337 SODASWGNNCFBSM-GFCCVEGCSA-N 318.402 1.363 0 40 DDAB CCN(CC)S(=O)(=O)CCNC(=O)N(C)CC1CCCC1 78796514 AMGYCFZFKCLNDC-UHFFFAOYSA-N 319.471 1.490 0 40 DDAB CCC[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 1575974 LDWKLEOJLPWEIE-DGCLKSJQSA-N 322.361 1.671 0 40 DDAB CN1CCO[C@H](C(=O)NC2(c3ccc(F)cc3F)CCC2)C1 95977838 VWWVBRRCOGFTBT-AWEZNQCLSA-N 310.344 1.791 0 40 DDAB NS(=O)(=O)CCN1CCc2cc(Cl)cc(Cl)c2C1 84133072 IYKLDRXLMBMUJM-UHFFFAOYSA-N 309.218 1.640 0 40 DDAB O=C(Cn1c(S)nnc1-c1cccs1)N1CCOCC1 16642875 JCAPEOIPBIIOEP-UHFFFAOYSA-N 310.404 1.154 0 40 DDAB NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1F 95963907 YYGDFYFPVPUOMR-MWLCHTKSSA-N 300.355 1.148 0 40 DDAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)COC)cc2n1 12276460 ODKLGAVYKGFUNB-CYBMUJFWSA-N 318.377 1.697 0 40 DDAB Cc1cc(C(F)F)nc(S[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)n1 12848378 QAUNUHCDUJOUHW-NGZCFLSTSA-N 302.302 1.898 0 40 DDAB CCNC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13715995 ITXKKRYPCFCLOG-CQSZACIVSA-N 312.435 1.984 0 40 DDAB CCOC(=O)Cc1cs/c(=N\C(=O)c2ccccc2)n1N 17108602 DFHJOJVDRJQZIB-PEZBUJJGSA-N 305.359 1.110 0 40 DDAB CCc1cc(CNS(=O)(=O)c2cn(C(C)C)nc2C)on1 19522834 SNCFBJSAKPXYBS-UHFFFAOYSA-N 312.395 1.801 0 40 DDAB CNC(=O)[C@]1(C)CCCN(C(=O)c2c3c(nn2C)CCCC3)C1 19745937 DRZGMNDQNFUVRA-QGZVFWFLSA-N 318.421 1.287 0 40 DDAB CN1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2F)CC1 162032169 ZACHBHBREDDOIE-UHFFFAOYSA-N 313.760 1.582 0 40 DDAB COc1ccc(-c2cnc(CN3CCOC[C@@H]3C(=O)O)o2)cc1 560126785 GZEOGPAGQIBSAN-CYBMUJFWSA-N 318.329 1.636 0 40 DDAB Cc1ccc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)nn1 1888844682 YZRCNOIXNJAIFC-GJZGRUSLSA-N 316.405 1.106 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2ncnc3ccsc23)CCO1 1889085916 QACYNSZFZCOCGY-LLVKDONJSA-N 304.375 1.175 0 40 DDAB CN(Cc1ccc(C(C)(C)C)cc1)Cc1nc(N)nc(N)n1 24032139 ZNQILVUYRABHJA-UHFFFAOYSA-N 300.410 1.966 0 40 DDAB Cn1c(C(=O)NCCCN2CCOCC2)cc(Cl)c1Cl 28835510 BGJYHGQMIVUHJE-UHFFFAOYSA-N 320.220 1.784 0 40 DDAB CCc1cnc(OC2CCN(Cc3nnc(C)o3)CC2)nc1 1776008948 SRRIWZMJDDBZFT-UHFFFAOYSA-N 303.366 1.774 0 40 DDAB O=C(NCc1ccccc1)NCC1(N2CCOCC2)CCC1 1776008991 UTWVDPFBDNCYHP-UHFFFAOYSA-N 303.406 1.741 0 40 DDAB CN1C[C@@]2(CCN(C(=O)c3cccc(Cl)c3)C2)COCC1=O 2037985671 RRRILQJDCUTAJP-MRXNPFEDSA-N 322.792 1.661 0 40 DDAB Cc1nnc(CN2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1C 2087128227 AROZSYSHQFEZDR-CYBMUJFWSA-N 307.442 1.592 0 40 DDAB CCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055717912 FGKSGSIZRAJPNP-ZDUSSCGKSA-N 320.437 1.842 0 40 DDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cccnc1)CC2 575415727 YHUVKJHMJPAMCI-LBPRGKRZSA-N 310.375 1.045 0 40 DDAB C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccco1 75156266 JJSDEYSICJUAJG-INIZCTEOSA-N 320.320 1.059 0 40 DDAB COc1ccc(S(=O)(=O)N2CCOCC2)c2cccnc12 141293 KHVKBILCNMLYCM-UHFFFAOYSA-N 308.359 1.264 0 40 DDAB Nc1nc(Cl)cc(N2CCN(C(=O)CC3CCCC3)CC2)n1 40497812 GTJDTJRJFPZZRD-UHFFFAOYSA-N 323.828 1.941 0 40 DDAB Cc1cc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)no1 40485271 SJCBJGMNSWPAQB-UHFFFAOYSA-N 314.301 1.287 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nnc2n1CCC2 40486277 LBSDXPCYLMABQU-ZUZCIYMTSA-N 314.345 1.069 0 40 DDAB O=C1OCC[C@H]1Sc1nnc(S[C@@H]2CCOC2=O)s1 40456912 VOIYXJKPZKKPLB-PHDIDXHHSA-N 318.401 1.353 0 40 DDAB Cn1ccs/c1=N\C(=O)C1CCN(c2ncccn2)CC1 40544153 FVJMCVRCJLCINX-VKAVYKQESA-N 303.391 1.221 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)on2)cc1 40513034 SDMZWWPNPVLEGV-GFCCVEGCSA-N 320.370 1.567 0 40 DDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](O)c1ccccc1F 28913108 OUXLQFXPPHTBSP-SMDDNHRTSA-N 310.350 1.287 0 40 DDAB CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccoc2)CC1 45782869 TYLHAAZXXHUMHL-ZDUSSCGKSA-N 307.394 1.198 0 40 DDAB O=C(NCCCN1CCOCC1)c1ccn(-c2ccccc2)n1 40513922 HEMHOALTVNOTJU-UHFFFAOYSA-N 314.389 1.324 0 40 DDAB Cc1nn(CC(=O)N[C@H](C)[C@H]2CCCO2)cc1Br 2780202 WNYYJZBDILVNIB-MWLCHTKSSA-N 316.199 1.638 0 40 DDAB CO[C@]1(c2ccccc2)C(c2ccccc2)=NNC(=S)N1N 3171619 NCIHTMFTFSLLEQ-MRXNPFEDSA-N 312.398 1.954 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 3996068 CLFOLRNDKGIRRK-QOBDMFJFSA-N 315.325 1.935 0 40 DDAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCNCC1 32187296 DQAOIKYZBKRVBQ-UHFFFAOYSA-N 302.399 1.948 0 40 DDAB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCC#N 6656597 WKZUUCHBUACVRK-ZWNOBZJWSA-N 308.359 1.776 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN(CC(N)=O)C(C)C)cc1C 8532816 DUMLCLSGALDNPM-AWEZNQCLSA-N 305.422 1.676 0 40 DDAB O[C@@H](CNc1cccc(C(F)(F)F)n1)CN1CCOCC1 89794138 GKNYDHAKSWHXIJ-JTQLQIEISA-N 305.300 1.205 0 40 DDAB C[C@H]1COCCN1C(=O)CCn1cnc2sccc2c1=O 46255406 SMJHECZBFFAVET-JTQLQIEISA-N 307.375 1.095 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 102303461 DIEFOYIXBBLDHW-AJNGGQMLSA-N 301.342 1.992 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100858925 OQFZTIKWMRRYSB-CYDGBPFRSA-N 317.297 1.066 0 40 DDAB CCOCCSc1nnc2n(C)c(=O)c3ccccc3n12 53006677 QBRDTASDDIJGCU-UHFFFAOYSA-N 304.375 1.710 0 40 DDAB O=C(c1ccoc1)N1CCN(Cc2noc(C3CC3)n2)CC1 53607699 UHNVIBHHNJGYCF-UHFFFAOYSA-N 302.334 1.498 0 40 DDAB CCS(=O)(=O)CCNC(=O)Nc1ccc(F)cc1OC 69647568 UZPLNRVFCMTMJN-UHFFFAOYSA-N 304.343 1.391 0 40 DDAB C[C@@H](NC(=O)CCn1cccn1)c1nnc2n1CCCCC2 42497393 WAFUTCYFLJZMEH-GFCCVEGCSA-N 302.382 1.469 0 40 DDAB Nc1nonc1-c1noc(NCc2ccc3c(c2)OCO3)n1 12375102 IPHCPSZOQCURIW-UHFFFAOYSA-N 302.250 1.043 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 23957720 YEJKAYRFGPFNPT-HNNXBMFYSA-N 321.402 1.427 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCCC[C@H]3C)nc2n1 47144438 BLDUNFGOONHJEH-GFCCVEGCSA-N 316.409 1.345 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 37474898 WDZZLILCEUHSEI-DOMZBBRYSA-N 319.380 1.564 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCc2ccccc2C1 103066254 WRQKFPCOLGAHDI-HZPDHXFCSA-N 324.380 1.523 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 57355460 XDXFMVFAWRPMTE-DOTOQJQBSA-N 317.433 1.664 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C12CCC2 106916542 WVPDQGGFGAOIGN-IACUBPJLSA-N 308.422 1.755 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2cnc3ccsc3c2=O)C1 26017622 GLQFLSSEFRRYGD-PHIMTYICSA-N 305.403 1.963 0 40 DDAB COC[C@@H](C)CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 171968437 IMYORRDYNBUSCU-LSDHHAIUSA-N 313.442 1.023 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)c2ccco2)C1 27397462 UDLABYIYMNWESH-OLZOCXBDSA-N 306.362 1.427 0 40 DDAB C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)CN1CCCC1=O 58004387 COVLAEZFNRAKLR-SWLSCSKDSA-N 318.373 1.201 0 40 DDAB CN(C)C(=O)CCS(=O)(=O)Cc1cc(-c2ccccc2)on1 69744452 XGIPJAIVJIMHGC-UHFFFAOYSA-N 322.386 1.735 0 40 DDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(SC)cc1 20943779 FDYIOJNASSQLBH-ZDUSSCGKSA-N 308.403 1.272 0 40 DDAB CS(=O)(=O)c1nc(C(=O)NCc2ccoc2)c2ccccn12 58283032 ICLSEUDEUYDMDP-UHFFFAOYSA-N 319.342 1.261 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)no1 36383838 AGFPMOLONYLWHZ-UHFFFAOYSA-N 316.361 1.449 0 40 DDAB O=C(CNc1ccccc1OC(F)(F)F)N1CCNC1=O 10853947 AZXOLLTZTKLEDG-UHFFFAOYSA-N 303.240 1.549 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)O 3366376 BUZREBMUVLYWFH-LLVKDONJSA-N 317.432 1.788 0 40 DDAB c1cc2nncn2nc1NCC1(N2CCSCC2)CCCC1 48346032 GLNFWCHNAFTBKG-UHFFFAOYSA-N 318.450 1.898 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)N(CC)c2ccc(F)cc2)C1=O 12973100 SMDBSDYLMGBUHD-ZDUSSCGKSA-N 321.352 1.899 0 40 DDAB Cc1cc(-n2c(C)cc(C(=O)CN3CCNC(=O)C3)c2C)no1 38442948 XIZDVXDAEVBXLF-UHFFFAOYSA-N 316.361 1.005 0 40 DDAB CCOc1ccc(CC(=O)N2CCN(C[C@H](O)CC)CC2)cc1 70004687 TWWGYOQLZPSQOL-MRXNPFEDSA-N 320.433 1.543 0 40 DDAB O=C(CCCn1cncn1)NC1CCN(CC2CCCC2)CC1 63341612 LCWXHAXECUVUIO-UHFFFAOYSA-N 319.453 1.829 0 40 DDAB CCn1ccnc1CN1CCN(c2nccc(OC)n2)CC1 69328610 FQCBCCHLXSRBGW-UHFFFAOYSA-N 302.382 1.024 0 40 DDAB CC(=O)NCCNC(=O)CN1CCCC[C@@H]1Cc1ccccc1 69453344 COYZNZNZILEEQH-QGZVFWFLSA-N 317.433 1.336 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)c1 69416159 HALPFKRTGUGQDU-ZDUSSCGKSA-N 300.362 1.368 0 40 DDAB CCn1nnc2cc(C(=O)N3CCn4c(C)nnc4C3)ccc21 69451843 WHWSDRUHOOWMFJ-UHFFFAOYSA-N 311.349 1.007 0 40 DDAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 6374929 ASRGWIDVBAUVPC-UHFFFAOYSA-N 304.346 1.814 0 40 DDAB C[C@@H]1CN(C(=O)CCn2cnc3sccc3c2=O)C[C@@H](C)O1 14049308 RXVQWQVQHKLBLU-GHMZBOCLSA-N 321.402 1.484 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 65514693 NEENIDLVHCYWAG-JTQLQIEISA-N 312.316 1.458 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)n1 65548573 UWUCCTBQVHXQHU-OCCSQVGLSA-N 300.362 1.404 0 40 DDAB CCOc1cccc(C(=O)N2CCCC[C@H]2CNC(N)=O)c1 69970614 FBNUCXSETBHYDU-ZDUSSCGKSA-N 305.378 1.748 0 40 DDAB Cc1nnc2n1CCN(C(=O)Cc1cnn(-c3ccccc3)c1)C2 71185520 YSSIRJHGQUVUBO-UHFFFAOYSA-N 322.372 1.357 0 40 DDAB COc1cc([C@H]2ON=C(C(=O)O)[C@H]2C)c(OC)c2c1OCO2 14987662 YJJCMPMXQUYKAT-LDWIPMOCSA-N 309.274 1.581 0 40 DDAB Cc1cccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 8748861 WQUACVDIAUZPSZ-UHFFFAOYSA-N 324.340 1.193 0 40 DDAB CC(C)NC(=O)CNC(=O)CSc1ccc2ccccc2n1 9118266 XJUBUDNLTLOTRL-UHFFFAOYSA-N 317.414 1.968 0 40 DDAB CN(C)C(=O)[C@@H](OC(=O)c1nccnc1N)c1ccccc1 9448263 ORHMUXOZOCDRFR-LBPRGKRZSA-N 300.318 1.045 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCN2CCCC2=O)c1 71866158 TUXSRXUUWAXOQP-HNNXBMFYSA-N 318.421 1.585 0 40 DDAB COc1ncnc(N)c1CNC[C@@H]1CCO[C@@H]1c1ccccc1 83915165 ADAGMHGTDIENTC-DZGCQCFKSA-N 314.389 1.935 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1csc(=O)[nH]1 84190093 SWNLNDSNGJQNAX-UHFFFAOYSA-N 318.807 1.877 0 40 DDAB CSC1=NCCN1C(=O)CNC(=O)Cc1cccc(F)c1 72297906 HJKMVXPHUSPEKS-UHFFFAOYSA-N 309.366 1.046 0 40 DDAB CO[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269246 VUSHRFXOQRWRPA-IKGGRYGDSA-N 318.417 1.432 0 40 DDAB Cn1ncc(C(=O)Nc2nc(C(N)=O)cs2)c1-n1cccc1 72288752 QLFBLORJEVBSDX-UHFFFAOYSA-N 316.346 1.019 0 40 DDAB Cc1cnn(C2CN(CCNS(=O)(=O)c3ccccc3)C2)c1 72253881 VFGORQUJEXITSX-UHFFFAOYSA-N 320.418 1.027 0 40 DDAB O=c1c2ccncc2ncn1C[C@H](O)COCc1ccccc1 97080180 QSSMCUKASVEWEB-AWEZNQCLSA-N 311.341 1.369 0 40 DDAB c1ccc(OCCN2CCN(c3cncc4ncnn34)CC2)cc1 97032799 JRIOIFCDDQUPFN-UHFFFAOYSA-N 324.388 1.325 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@H]2C[C@@]23CCc2ccccc23)cn1 84318757 KSOOQSSACRYYJR-CJNGLKHVSA-N 317.414 1.603 0 40 DDAB Cc1cc(C)nc(NC(=O)N2CCN(c3ncccn3)CC2)c1 97378588 NUSRXHDRIIKLJS-UHFFFAOYSA-N 312.377 1.843 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@@H]1N1CCOCC1 84735611 IQCLRQFMPZQFAF-BMFZPTHFSA-N 310.438 1.371 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(CC(F)(F)F)C[C@@H]2C)CC1 84714405 KPFIYMRFFIJJQL-AAEUAGOBSA-N 307.360 1.423 0 40 DDAB Cc1nsc(N2CCCN(CC(=O)N[C@@H](C)C3CC3)CC2)n1 95404897 YMHZLDHRSKXCMM-NSHDSACASA-N 323.466 1.273 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CCc1nc[nH]n1 78735349 YOLCYEMYBLQAIQ-LBPRGKRZSA-N 316.361 1.426 0 40 DDAB c1ccc(-n2nnnc2COc2cccc(-n3cncn3)c2)cc1 78990670 WJLPEMMDUILMOM-UHFFFAOYSA-N 319.328 1.822 0 40 DDAB CCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)N(C)C1=S 409036266 VHNBHKODAHMASX-POHAHGRESA-N 322.386 1.829 0 40 DDAB O=C1SCC[C@H]1NC[C@H](O)COCc1ccc(Cl)cc1 95950817 IOAJXYYJMFLOHS-QWHCGFSZSA-N 315.822 1.839 0 40 DDAB Cc1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)n(C)n1 89591823 XFJBVXXIVRBOEW-LBPRGKRZSA-N 319.340 1.606 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@@H](C)CN2CCCC2)c(=O)[nH]1 75122248 LDOILVOSBKGNPC-ZDUSSCGKSA-N 306.410 1.275 0 40 DDAB COc1nc(N)nc2sc(C(=O)NC[C@H]3CCCO3)cc12 30798149 HLBNOGVGHNPTIY-SSDOTTSWSA-N 308.363 1.191 0 40 DDAB O=C(NCN1CCOCC1)Nc1ccc(Br)cc1 31629174 LNZBLOGTRVPDBT-UHFFFAOYSA-N 314.183 1.860 0 40 DDAB COC(=O)C[C@H](c1cnn(C)c1C)c1c(O)cc(C)[nH]c1=O 72404556 ANVMWASXGNEBTN-SNVBAGLBSA-N 305.334 1.126 0 40 DDAB COc1cc(C(=O)NCCCN2CCOCC2)cc2occc12 72240093 STZZWFNCDBYGRF-UHFFFAOYSA-N 318.373 1.894 0 40 DDAB C[C@H](Cc1ccccc1)N(CC(=O)O)S(=O)(=O)c1ccco1 562982567 QAMDHGGCMTVDMN-GFCCVEGCSA-N 323.370 1.986 0 40 DDAB O=C(O)Cn1ccc(NC(=O)c2cc3c(s2)CCOC3)n1 181793497 LOQRJPGGZSMMES-UHFFFAOYSA-N 307.331 1.354 0 40 DDAB CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 222450514 IKLHAPIXQITRCX-OSBMCDJTSA-N 303.358 1.539 0 40 DDAB CC1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 222878109 HFCBERVNNDZBTB-HNNXBMFYSA-N 324.446 1.878 0 40 DDAB Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)c1cnn(C)c1 568715420 GYHBSMOMYCNJDW-UHFFFAOYSA-N 315.376 1.313 0 40 DDAB Cc1nc(C(=O)NCc2nc(-c3cccn3C)no2)cs1 225764903 PYHLCJQOANTNKO-UHFFFAOYSA-N 303.347 1.770 0 40 DDAB C[C@H]1OCC[C@H]1S(=O)(=O)N(C)CCN(C)c1ccccc1 135584284 WDXGNEBYHGAXPY-UKRRQHHQSA-N 312.435 1.562 0 40 DDAB CC(C)NS(=O)(=O)[C@H]1CCN(C[C@H](O)C2CCCCC2)C1 225597773 ISDITTIMAWELCX-GJZGRUSLSA-N 318.483 1.330 0 40 DDAB CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnc(C)n1C1CC1 569512961 GLWQCDBNGZHXNE-HRCADAONSA-N 320.437 1.937 0 40 DDAB COCC[C@H](CO)NC(=O)NCc1cc(Cl)ccc1C 225584440 FBAYUYWRYVCCPR-CYBMUJFWSA-N 300.786 1.845 0 40 DDAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(N2CCOCC2)nn1 75172731 RFAIZIXBQLMSES-UHFFFAOYSA-N 324.344 1.442 0 40 DDAB Cc1c(NC(=O)c2cc3sccc3n2C)c(C(N)=O)nn1C 40798703 NEHFMADZIFFACF-UHFFFAOYSA-N 317.374 1.633 0 40 DDAB C[C@@H](CCNC(=O)N1CC(C)(C)OC(C)(C)C1)[S@@](C)=O 195574892 NXMXFOVGJWHTIE-PRWKNARSSA-N 304.456 1.743 0 40 DDAB CO[C@@H](CNC(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 96413296 APQFHXZZCAQWSP-RYUDHWBXSA-N 320.311 1.987 0 40 DDAB Cc1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)cn1 95452279 ZBUIIYGUGVVUMZ-UHFFFAOYSA-N 312.364 1.872 0 40 DDAB Cc1cccc(OC[C@@H](O)CNC(=O)[C@H]2CCCN(C)C2)c1 96475116 WXONWYZPPDMVQR-GJZGRUSLSA-N 306.406 1.193 0 40 DDAB c1nc2n(c1CN1CCCC1)CCN(C[C@H]1CCOC1)CC2 96196871 MMPSOXVHPKLLMZ-OAHLLOKOSA-N 304.438 1.374 0 40 DDAB c1nc2c(c(N3CCCC3)n1)CCN(CC1CCOCC1)CC2 96058730 GURZCCNFXYPFNM-UHFFFAOYSA-N 316.449 1.904 0 40 DDAB Cc1ccsc1C(=O)NC[C@@H]1COCc2c(C)nnn2C1 96199348 LCNPFPRTYVZNEY-NSHDSACASA-N 306.391 1.533 0 40 DDAB O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)C[C@@H]1CCCCO1 528543323 XGKLIZWXCMNRHP-GXTWGEPZSA-N 324.402 1.038 0 40 DDAB CCOC(=O)[C@@H]1C[C@@H](C)[C@](C(=O)OCC)(S(=O)(=O)CC)C1 242390227 AFRYOMGRENBVHP-JTNHKYCSSA-N 320.407 1.332 0 40 DDAB Cc1cccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1C 242906725 GQWKMTIGUGVRDM-UHFFFAOYSA-N 312.435 1.842 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(C)nc1 257319464 VSRDUQXWXMKNON-KRWDZBQOSA-N 311.389 1.417 0 40 DDAB O=C(CCc1nccs1)NCCOc1ccc(C(=O)O)cc1 537483161 XRTKFGRXDAIBRF-UHFFFAOYSA-N 320.370 1.969 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2cncs2)n1 257249649 JJFHFJJSXFRNMC-ZDUSSCGKSA-N 317.418 1.972 0 40 DDAB CCn1cc(CN2CC[C@H](c3[nH]ncc3C(=O)NC)C2)c(C)n1 257217502 CZFYTOZBJGOPAK-LBPRGKRZSA-N 316.409 1.284 0 40 DDAB Cc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257240466 HTPFSYCALJFJHI-RBSFLKMASA-N 300.362 1.423 0 40 DDAB O=C(CN1CCC[C@H]1CCc1ccncc1)N1CCOCC1 257221568 DPPWVFDDJKCHQG-INIZCTEOSA-N 303.406 1.337 0 40 DDAB CCOC(=O)c1[nH]c(=O)n([C@@H](CCSC)C(=O)O)c1C 256027986 MXCLAEKSCZAWAX-QMMMGPOBSA-N 302.352 1.040 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257206435 BDKDECJDYSZMAC-CQSZACIVSA-N 319.336 1.836 0 40 DDAB O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1CCOC1 41372161 FKFNOXVTWAWMLE-GFCCVEGCSA-N 301.346 1.822 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cc[nH]n1 585290594 FVEOCXYLIOBPRB-XJKSGUPXSA-N 306.410 1.448 0 40 DDAB Cc1ccc(C#N)c(N2CCN([C@H](C)C(=O)NC(C)C)CC2)n1 161188445 IJRVJFFQJRCMHS-CQSZACIVSA-N 315.421 1.297 0 40 DDAB CCN(CC)CCNC(=O)c1nn(CC(F)(F)F)cc1N 685936131 GJBYJSVSXSQPGR-UHFFFAOYSA-N 307.320 1.099 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2sccc2C)NC(=O)NC1 48344719 OEYHIIWLTHIBCB-UHFFFAOYSA-N 323.418 1.618 0 40 DDAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CC[C@H](C(N)=O)C1 53894301 ZDVZSJDUNZPEPF-NSHDSACASA-N 317.320 1.737 0 40 DDAB CC(C)(NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)C(N)=O 57256201 HIXHDSHQZUYCHC-VIFPVBQESA-N 323.780 1.073 0 40 DDAB Cn1nc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)cc1C1CC1 1551474897 AEHKYWNDWSMIGT-CQSZACIVSA-N 303.410 1.320 0 40 DDAB c1cnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 69150518 JPXJIZVCHVUWQL-UHFFFAOYSA-N 312.373 1.570 0 40 DDAB CC(C)C(=O)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O 85467627 SGPJGQGZKNAAOP-CQSZACIVSA-N 307.369 1.534 0 40 DDAB C[C@H]1C[C@@H]1CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C 95350267 BFLQQFSRRQCSKV-WCBMZHEXSA-N 300.362 1.525 0 40 DDAB CC1(C)C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)C(C)(C)O1 90799025 IKYLYFZRGFFOAL-NEPJUHHUSA-N 304.456 1.346 0 40 DDAB Cc1ccc(-c2nc(N3CCN(C)CC3)ncc2C(=O)O)cc1 169792352 JRGQHEUYHCJPLP-UHFFFAOYSA-N 312.373 1.902 0 40 DDAB COCc1ncsc1C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 561395742 VDJRXOLAGXFRDU-MRVPVSSYSA-N 323.378 1.133 0 40 DDAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)c1ccco1 12182667 RTHIORLZHWWAFN-LLVKDONJSA-N 312.329 1.593 0 40 DDAB Cc1ccc2c(c1)/C(=C1/SC(=O)N(CC(=O)O)C1=O)C(=O)N2 16711899 JGWRVRMLRRXGPE-KHPPLWFESA-N 318.310 1.438 0 40 DDAB COCC(=O)N[C@@H](C)c1nc2c3c(C)c(C)oc3ncn2n1 19559516 RHSSMAOLGSGOFU-QMMMGPOBSA-N 303.322 1.311 0 40 DDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CC1 19930446 ZIQIKGFMBJNEDI-UHFFFAOYSA-N 308.403 1.339 0 40 DDAB O=C([C@@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCCC1 1889096348 RTKBDAJAPCNBJL-HNNXBMFYSA-N 316.405 1.183 0 40 DDAB CN1C(=O)CC[C@H]1c1nc(CNC(=O)c2ccccc2)no1 1775963913 JNMNURKHTBJOMD-NSHDSACASA-N 300.318 1.293 0 40 DDAB biogenic,in-vitro COc1cccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c1 2037981057 SGGGLFMBOAMNLY-HOCLYGCPSA-N 304.390 1.374 0 40 DDAB Cc1cccc(F)c1C(=O)N1CCC2(CC1)CNC(=O)CO2 1565544192 AKLILQMEXNAJHL-UHFFFAOYSA-N 306.337 1.255 0 40 DDAB O=C(Nc1ccccn1)c1ccc(=O)n(Cc2ccccc2)n1 11781231 WJIMCPMXWLLXBH-UHFFFAOYSA-N 306.325 1.939 0 40 DDAB COC(=O)Nc1nc(CC(=O)NCc2cccnc2)cs1 12440344 HSSPVUUZOMMIKE-UHFFFAOYSA-N 306.347 1.575 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)c1ccc(-n2cccc2)cc1 107286230 LKCHTBOQDIGEEF-YCPHGPKFSA-N 300.358 1.339 0 40 DDAB COC(=O)c1ccccc1C(=O)N1CC(Oc2cccnc2)C1 238871824 NCDONPXTEGTTCT-UHFFFAOYSA-N 312.325 1.772 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC(Nc3ncccn3)C2)cc1 245130875 VCESSIVZCOBLRF-UHFFFAOYSA-N 312.329 1.200 0 40 DDAB C[C@H](N(C)C(=O)CCn1cnc2c(cnn2C)c1=O)C(C)(C)C 30421498 NGCGVOOBBRZBFE-NSHDSACASA-N 319.409 1.413 0 40 DDAB CC[C@@H]1CN(C(=O)CCc2c(C)nc3ncnn3c2C)CCO1 30855281 VNQBPHOSXPKLRW-CYBMUJFWSA-N 317.393 1.311 0 40 DDAB COc1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)[nH]c2c1 40496208 FGSOYBCPAIVINO-JTQLQIEISA-N 308.359 1.093 0 40 DDAB COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC 69462544 SKMIMFSHUJBGPO-HZPDHXFCSA-N 320.433 1.883 0 40 DDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1ccccn1 40553403 ARQODBBEJJOFOG-GFCCVEGCSA-N 323.356 1.209 0 40 DDAB Cc1ccn(CCNC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36616255 QAZJRWAWNWLGLE-UHFFFAOYSA-N 324.388 1.781 0 40 DDAB CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(N)=O)o1 40538693 ZHLOLNCLXNIDBO-UHFFFAOYSA-N 324.358 1.208 0 40 DDAB COc1ccc(C)cc1[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 40505150 XKMUWSUAOJYGLI-LLVKDONJSA-N 314.407 1.072 0 40 DDAB C[C@@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(N)=O 11498242 JQEHJGFQUVCQOB-SECBINFHSA-N 306.343 1.753 0 40 DDAB CC(=O)NCCNC(=O)c1sc(-c2cccnc2)nc1C 31868009 SHOLBTJAQSUBOT-UHFFFAOYSA-N 304.375 1.379 0 40 DDAB CC(C)c1csc2nc(-c3cn(C)c(=O)[nH]c3=O)[nH]c(=O)c12 101086862 JEHZNGNFZYMVBH-UHFFFAOYSA-N 318.358 1.162 0 40 DDAB Nc1c(-c2nc3ccccc3s2)[n+]([O-])c2ccccc2[n+]1[O-] 1616419 RZZQVVAFYJWGAT-UHFFFAOYSA-N 310.338 1.966 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)cc1 2293970 NLBPMILMRQHRGY-PYHGIMPFSA-N 322.364 1.837 0 40 DDAB C[C@@H](C(=O)O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51639042 PCSBGSOPKINWAH-VIFPVBQESA-N 314.744 1.710 0 40 DDAB CC[C@H](CO)NS(=O)(=O)c1cc(C(C)C)ccc1OC 41096290 UUYBORDKBZKCQH-GFCCVEGCSA-N 301.408 1.868 0 40 DDAB CC[C@H]1CCCN(C(C)(C)CNC(=O)CNC(=O)C2CC2)C1 69619928 SXUBFPRZEVUDAO-ZDUSSCGKSA-N 309.454 1.529 0 40 DDAB Cc1cc(NC(=O)Nc2ccc(N3CCOCC3)nc2)no1 32889646 DWYWLMXIXZJOPL-UHFFFAOYSA-N 303.322 1.859 0 40 DDAB O=C(Nc1cn[nH]c1)N[C@@H](CN1CCCC1=O)c1ccccc1 46458551 RYRXDMCMNJXJQL-AWEZNQCLSA-N 313.361 1.895 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)N2C[C@@H](C)O[C@H](C)C2)nc1 69622322 JRYPFVBYGTZUSJ-CHWSQXEVSA-N 320.393 1.537 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@@H](c2cccs2)N(C)C)n1 41953420 CTBSADPTQKWSCQ-ZDUSSCGKSA-N 306.435 1.981 0 40 DDAB CCC[C@H](C)NC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 47196746 KHJOYDFYJDVLIA-JTQLQIEISA-N 303.362 1.628 0 40 DDAB O=S(=O)(NC[C@H]1COc2ccccc2C1)N1CCCCCC1 23404575 KPRXYMQFZRELIR-AWEZNQCLSA-N 324.446 1.948 0 40 DDAB CCOc1ccc(CN(C)C(=O)C2=NN(C)C(=O)CC2)cc1 23572042 PYTLIMPMYODVKZ-UHFFFAOYSA-N 303.362 1.652 0 40 DDAB O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 23993607 HUNSOTVNXSMLAZ-LLVKDONJSA-N 313.375 1.305 0 40 DDAB CCOCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 25299982 GFGKAYBVNVDZLT-LLVKDONJSA-N 317.349 1.453 0 40 DDAB COc1ccnc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1 106933687 ULQXBYWOWFFRFE-AWEZNQCLSA-N 305.422 1.775 0 40 DDAB Cc1noc([C@@H](C)S(=O)(=O)Cc2noc(C(C)(C)C)n2)n1 89718562 RROUSCACQSKSBJ-SSDOTTSWSA-N 314.367 1.735 0 40 DDAB Cc1cc(N2CCCN(c3nc(C)cs3)CC2)nc(N)n1 57148332 MQHRUTFKCBXRFK-UHFFFAOYSA-N 304.423 1.849 0 40 DDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3ncc[nH]3)C2)C1=O 89869779 OCNMZNLLQOLIPP-WBMJQRKESA-N 319.409 1.341 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1Cc1nccn1Cc1ccccc1 26910614 YUNKCHATRMOUOT-MRXNPFEDSA-N 312.417 1.984 0 40 DDAB Cc1noc(C)c1C(=O)Nc1ccc(N2CCOCC2)cn1 57993292 HCOCBJJMWCMKKJ-UHFFFAOYSA-N 302.334 1.775 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2ccco2)C1 27397466 UDLABYIYMNWESH-CHWSQXEVSA-N 306.362 1.427 0 40 DDAB O=C(O)[C@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 62118643 MCBNHNFTWZIGGH-QMMMGPOBSA-N 301.701 1.791 0 40 DDAB CC(=O)N[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C 44888954 RVTKKKMIISEESS-SJORKVTESA-N 317.433 1.538 0 40 DDAB CN(C)C(=O)Cn1cnc2c(Br)cccc2c1=O 48234260 BJTJMMUYKCSAAD-UHFFFAOYSA-N 310.151 1.247 0 40 DDAB COc1cc(C)c(S(=O)(=O)NC[C@@H]2CCOC2)cc1OC 48325979 JQWVNYIJXGFJGF-NSHDSACASA-N 315.391 1.327 0 40 DDAB CC(=O)NCCC(=O)OCc1nnc(-c2ccc(F)cc2)o1 12862938 VMMYNGQGTDOLEI-UHFFFAOYSA-N 307.281 1.445 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nnnn1-c1ccc(OC)cc1 3580319 MEIAHOFYPIDTHQ-SNVBAGLBSA-N 321.406 1.678 0 40 DDAB C[C@@]1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCNC1 62888904 MCPNBAXIGVQUJR-MRXNPFEDSA-N 307.825 1.988 0 40 DDAB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccncc2)n2ncnc2N1 17832014 DVARGLQIDMMBGS-HNNXBMFYSA-N 324.388 1.975 0 40 DDAB CCOc1ccc2nc(SCC(=O)N3CCOCC3)[nH]c2c1 13284323 RQBNXWWWZOQGHO-UHFFFAOYSA-N 321.402 1.913 0 40 DDAB C[C@H](C(=O)NC1CCCCCC1)N1CCO[C@H](CN(C)C)C1 69808367 SJQGJGCBAHXGCG-GDBMZVCRSA-N 311.470 1.476 0 40 DDAB CC(C)c1cc(C(=O)NC[C@H]2CCC(=O)N2)nn1C(C)(C)C 69809792 HFOCXKUEJILXFZ-LLVKDONJSA-N 306.410 1.770 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 6084997 QUTXHBCTKQMUFC-HNNXBMFYSA-N 323.299 1.624 0 40 DDAB C[C@H](CC(=O)N1CCCN(c2cccnn2)CC1)n1cccc1 69947721 PKVBIGYFMNNIFK-OAHLLOKOSA-N 313.405 1.968 0 40 DDAB O=C(NN1C(=O)c2ccccc2C1=O)[C@@H]1COc2ccccc2O1 14159444 SIFWLDDYDRDLAO-AWEZNQCLSA-N 324.292 1.154 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](N)C1 65748307 VSZGPKBBMSAYNT-QLFBSQMISA-N 312.410 1.285 0 40 DDAB in-vitro Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 4731492 URQDJAMCTOLYLB-JTQLQIEISA-N 305.725 1.762 0 40 DDAB NS(=O)(=O)c1cccc(NC(=S)NC2CCCCC2)c1 4867494 IYIMFHWXLMQGEA-UHFFFAOYSA-N 313.448 1.953 0 40 DDAB CCCNC(=S)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 15155221 AYLGRZQYQMJWIK-ZDUSSCGKSA-N 307.419 1.627 0 40 DDAB O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)[C@@H]1CCCO1 68111457 KNBPNQUGNHQAPZ-STQMWFEESA-N 324.377 1.845 0 40 DDAB O=C1CC[C@H](C(=O)NC2(c3ccc(Br)cc3)CC2)N1 68217796 ZXJBWYVGPSKGIT-LLVKDONJSA-N 323.190 1.833 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(F)cc2)C1=O 8184069 IJXZFKNAPDWTHL-BJOHPYRUSA-N 323.324 1.345 0 40 DDAB CC(C)[C@@H](C(=O)NCCOc1ccc(F)cc1)N1CCCC1=O 69460377 TYHKFOYBBYSSND-INIZCTEOSA-N 322.380 1.968 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCC1=O 71847035 YRXVDXBLCXDGHN-UKRRQHHQSA-N 319.409 1.089 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cccc3ncccc23)CC1 71880978 VTRIJWYMTPXGPW-AWEZNQCLSA-N 313.401 1.764 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CC[C@@H]3CCCO3)CCO2)n1 83829872 RZBFFZFSNASOLZ-NWDGAFQWSA-N 308.382 1.226 0 40 DDAB NC(=O)CN1CCC(N[C@@H]2CSCCc3ccccc32)CC1 89865446 KJHUZFMKVJAMTQ-MRXNPFEDSA-N 319.474 1.556 0 40 DDAB CC[C@@](C)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(N)=O 89941963 LISZAYXGUZKICF-CQSZACIVSA-N 307.785 1.664 0 40 DDAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN1C(=O)CNC1=O 84129081 GGMMPFJNGYEKRU-NSHDSACASA-N 319.361 1.270 0 40 DDAB O=C(CN1CCC[C@@H]1c1nnc2n1CCCCC2)NCC1CC1 72291804 VRPGXSZAIXKISY-CQSZACIVSA-N 317.437 1.668 0 40 DDAB Cc1ccccc1CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269113 ASFVRQUBFYFBPU-IRXDYDNUSA-N 302.418 1.595 0 40 DDAB COCCCNc1cccc(C(=O)N2CCC(CO)CC2)c1 76061706 ZYAHYORLQIDKBG-UHFFFAOYSA-N 306.406 1.980 0 40 DDAB O=C(c1csc(NC2CC2)n1)N1CCC(n2cncn2)CC1 84338684 GTJDGKHQPWGUHR-UHFFFAOYSA-N 318.406 1.786 0 40 DDAB Nc1nccnc1C(=O)Nc1cccn(CC(F)(F)F)c1=O 84339001 MXEFDOVXBRRHKX-UHFFFAOYSA-N 313.239 1.035 0 40 DDAB O=C(NCCc1nnc2n1CCC2)[C@H]1CCOc2ccccc21 76849646 INTFVWWKBWYOHA-ZDUSSCGKSA-N 312.373 1.449 0 40 DDAB O=C(NC[C@H]1COCCO1)N1CCO[C@@H](c2ccccc2)C1 84525592 BJKAGSFIWGOKGZ-LSDHHAIUSA-N 306.362 1.185 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3ccno3)C2)o1 78892232 LDYLFFBRIBEDFA-ZDUSSCGKSA-N 318.377 1.848 0 40 DDAB CN1CCCN(c2nc(C(F)(F)F)nc3[nH]cnc23)CC1 95948761 VHANERUDABCCEK-UHFFFAOYSA-N 300.288 1.514 0 40 DDAB CC1CCC2(CC1)OC[C@H](CNC(=O)c1n[nH]c3c1CCC3)O2 95991335 LMTBVDIMDUCYJP-JKGQDXBKSA-N 319.405 1.950 0 40 DDAB CCn1cc([S@](=O)Nc2ccc([S@@](C)=O)c(F)c2)cn1 79112759 BSTPUTDWXPJHRI-VQTJNVASSA-N 315.395 1.914 0 40 DDAB CC(C)c1ncc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)[nH]1 75092138 HQXPOKFITDZONZ-UHFFFAOYSA-N 322.346 1.768 0 40 DDAB O=C(O)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccoc1 551998701 QRHYMTICEOAQAO-ZDUSSCGKSA-N 309.343 1.644 0 40 DDAB CC[C@H]1C(=O)N(CC)CCN1C(=O)CCc1cccc(O)c1 1548692356 WKIIMUXAZFCLCZ-HNNXBMFYSA-N 304.390 1.794 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32088713 YPISCWPLDGIBRH-GFCCVEGCSA-N 323.360 1.374 0 40 DDAB O=C([C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)N1CCc2c(O)ncnc2C1 515941519 QEPCQSSQUBGXJG-BFSVRSTQSA-N 323.396 1.461 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 33028088 IVVNWOROUBCVOJ-WFASDCNBSA-N 319.357 1.628 0 40 DDAB Cc1nc(CCC(=O)O)cc([C@H]2CCCN2c2ncccn2)n1 72363416 ZXHJGQHMGCDJMF-CQSZACIVSA-N 313.361 1.934 0 40 DDAB O=C(NCc1ncccc1F)c1ccnc(N2CCCC2)n1 558617317 MAXXIIHURMSKET-UHFFFAOYSA-N 301.325 1.541 0 40 DDAB O=C(NCCn1ccnc1)NC[C@H]1COc2ccccc2O1 30989559 CJQSXHNXEOFCSL-LBPRGKRZSA-N 302.334 1.022 0 40 DDAB Cc1nc([C@H]2CCN(CCc3ccccc3)C2)ncc1C(N)=O 72351985 OQWVOKZSASKAQB-HNNXBMFYSA-N 310.401 1.916 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2cn(C)c3ccccc23)CCO1 72379847 AGYYLWVUQKLAKL-GOSISDBHSA-N 315.417 1.857 0 40 DDAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 33634970 PIBPVPVSMHBDIG-UHFFFAOYSA-N 302.371 1.363 0 40 DDAB C[C@@H](c1ccccn1)N(C)C(=O)c1ccc2c(c1)C(=O)NC2=O 78520287 LUZREOIJOXUBFS-JTQLQIEISA-N 309.325 1.798 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 72241091 HEGLOHHCEISNHK-UMVBOHGHSA-N 320.389 1.715 0 40 DDAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223584755 SHAPLXISHNGERX-ZIAGYGMSSA-N 302.403 1.385 0 40 DDAB C[C@@H](C(=O)N(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 222585920 HSTDNHXVKXZLDM-QMMMGPOBSA-N 306.334 1.208 0 40 DDAB COc1ccc(C(=O)NCCn2ncc3ccccc3c2=O)cc1 40818835 DACBWCZEWBPBOY-UHFFFAOYSA-N 323.352 1.835 0 40 DDAB COC(=O)c1ccc(OC)c(N2C[C@H](C(=O)OC)CC2=O)c1 45953250 XHWXOAMFVKLBDU-SNVBAGLBSA-N 307.302 1.008 0 40 DDAB CN(C)C(=O)c1ccccc1NC(=O)c1cccc2nn[nH]c12 195572869 VYZGKPVUQRWEQB-UHFFFAOYSA-N 309.329 1.912 0 40 DDAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCc1cc(F)ccc1F 193896136 MASNMAWFWNMKHN-NOZJJQNGSA-N 311.332 1.331 0 40 DDAB O=C(Cn1cccc1)N1CC(n2cc(-c3ccccc3)nn2)C1 225662647 CMBUDPMVWCPYBP-UHFFFAOYSA-N 307.357 1.830 0 40 DDAB CCN(CC)C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O 514289594 WBKHEIFHPGAQBS-SOUVJXGZSA-N 310.369 1.026 0 40 DDAB biogenic,in-vitro Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccco1)CC2 96084167 GPYKVYKTIKKHHL-UHFFFAOYSA-N 314.389 1.807 0 40 DDAB CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@@H]21 96043403 LDTODCQUFWRAKB-MGPQQGTHSA-N 304.394 1.233 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cnoc3C)C2)C1=O 96224019 DSPVBJUEOOUFAC-MRXNPFEDSA-N 321.377 1.084 0 40 DDAB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192163 BXNFKAHZDRPHOP-CYBMUJFWSA-N 306.410 1.664 0 40 DDAB c1c2c(nn1CC1CC1)[C@@H](CNCC1CCOCC1)OCC2 96044381 QIGIAHCPYVVCHD-MRXNPFEDSA-N 305.422 1.923 0 40 DDAB CCCCn1nnnc1CNC(=O)[C@H]1CSc2ccccc21 95398506 DENPKKJUPRFFSK-LBPRGKRZSA-N 317.418 1.979 0 40 DDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(CC1CC1)C2 96061966 BPODUUMUWUITHF-UHFFFAOYSA-N 313.405 1.377 0 40 DDAB Cc1nc(CN2Cc3ccnn3C[C@H](C(=O)N(C)C)C2)cs1 96188776 DAYQZJWONMVTEK-GFCCVEGCSA-N 319.434 1.368 0 40 DDAB CC(=O)c1cn(Cc2csc(C(C)C)n2)c(=O)n(C)c1=O 96466320 NSIXTMZXSQTZID-UHFFFAOYSA-N 307.375 1.378 0 40 DDAB CC(C)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1 96189778 VBLYOBIHBKFUGX-OAHLLOKOSA-N 317.433 1.326 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(Cc1ccc(OC)cc1)CC2 96206124 LXCYPBQRVATNEM-INIZCTEOSA-N 318.417 1.670 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(Cc3ccncc3)[C@@H]2C1 96109421 CXVTUZHTHGLMAV-BBWFWOEESA-N 305.422 1.249 0 40 DDAB Cc1c[nH]c([C@@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)n1 257248799 JFFYZEWZIZHNFK-AWEZNQCLSA-N 301.346 1.990 0 40 DDAB CO[C@H]1CN(c2cc(N3CCSCC3)ncn2)CC[C@H]1C 252536107 HPMOLZIFVIENRG-OLZOCXBDSA-N 308.451 1.891 0 40 DDAB CN(C)c1cc(C[C@H]2COCCN(c3ccccn3)C2)ncn1 257336553 YOYOTIPAKNINDY-CQSZACIVSA-N 313.405 1.633 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cncs2)C1 257298294 RLBQCKMGLCBTRQ-SNVBAGLBSA-N 324.431 1.739 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cnc(Br)cn2)C1 257198359 ZZYCNQLYGGFUJQ-QMMMGPOBSA-N 320.212 1.378 0 40 DDAB Nc1nccnc1[C@H]1CN(Cc2ccc(Cl)cn2)CCO1 257340750 ZHJOZFQJRNALPN-GFCCVEGCSA-N 305.769 1.681 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cccn1C 257341644 ZLHCPDPYYLAQML-AWEZNQCLSA-N 314.389 1.597 0 40 DDAB CC(=O)N1CCC[C@@H](c2cnc(-c3cnc(N)s3)cn2)C1 257319899 VUNUEBDZVROOGY-SNVBAGLBSA-N 303.391 1.908 0 40 DDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccc1 257293705 QQULZBCAQWFCNJ-SFHVURJKSA-N 324.384 1.696 0 40 DDAB O=C(NCCCc1ccccc1F)N[C@H]1CCCCNC1=O 279552668 DMDXCEKYASNKDW-AWEZNQCLSA-N 307.369 1.726 0 40 DDAB O=C(O)c1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccn1 650767284 PBPPWOPWJWHEJG-HNNXBMFYSA-N 319.405 1.861 0 40 DDAB O=C(NCC1CC1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575405142 RGWNYKWUQMZTEH-CQSZACIVSA-N 302.378 1.093 0 40 DDAB COCCC(=O)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585284587 KFONKDVAGNDGDZ-DJSGYFEHSA-N 311.353 1.497 0 40 DDAB COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@H]12 585109718 LIJLFVXAVAYGTQ-XYJFISCASA-N 300.402 1.929 0 40 DDAB Cc1cc(N2CCO[C@](CO)(Cc3ccccc3C)C2)ncn1 585277940 ZBCDKBFYYQLZAY-GOSISDBHSA-N 313.401 1.904 0 40 DDAB CCOC[C@@H]1CCn2nccc2CN1C(=O)[C@H]1CCCS1 585096853 DRZIBPAGEHRCJG-UONOGXRCSA-N 309.435 1.916 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3cncnc3)C2)c1 585268867 BVUKCLPILZAUAH-QGZVFWFLSA-N 313.357 1.441 0 40 DDAB CCn1cc(NC(=O)NC[C@H](O)c2ccccc2OC)cn1 43644446 DMXYXRVSODIQTC-ZDUSSCGKSA-N 304.350 1.767 0 40 DDAB O=C(N1CCOCC1)N1CCN(CCOc2ccccc2)CC1 58202965 GBKSZHNCAORHNJ-UHFFFAOYSA-N 319.405 1.135 0 40 DDAB O=C(Cn1cnnn1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 64300650 ACEKJWUUEVHMTC-UHFFFAOYSA-N 309.289 1.448 0 40 DDAB Cn1nc(C2CC2)cc1CNC(=O)N1C[C@@H](N)C2(CCC2)C1 1551477075 KTABUHOPENVQHP-CQSZACIVSA-N 303.410 1.320 0 40 DDAB C[C@@H](OCC1CC1)C(=O)NS(=O)(=O)N1CCc2ccccc21 69812175 ZQOQBUAOEKTWBG-LLVKDONJSA-N 324.402 1.225 0 40 DDAB CN(C)C(=O)COC[C@@H]1CN(c2nccs2)CC(C)(C)O1 893748641 DEWJOARMJAAGSR-NSHDSACASA-N 313.423 1.232 0 40 DDAB CCn1ncc(Br)c1C(=O)N1CCN(C)CC1 20601876 CZBBJDXCNQNJCK-UHFFFAOYSA-N 301.188 1.053 0 40 DDAB C[C@H](C(=O)N(Cc1ccccc1)CC(C)(C)O)n1cncn1 96493087 GBFJZQCMRYHKBQ-CYBMUJFWSA-N 302.378 1.639 0 40 DDAB O=C(NCCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1 2274428 XPPYUUKFUKFQIF-NTCAYCPXSA-N 314.341 1.549 0 40 DDAB COc1ccc(C2CCN(CC(=O)N3CCOCC3)CC2)cc1 12113914 OAONSIZBRMGLMK-UHFFFAOYSA-N 318.417 1.733 0 40 DDAB CCCCN1C(=O)c2ccc(C(=O)NCCOC)cc2C1=O 17321212 PPILZQYGHLONTC-UHFFFAOYSA-N 304.346 1.459 0 40 DDAB CCN1CCN(Cc2cc(=O)oc3cc(C)cc(O)c23)CC1 19369894 JWDLUGZHRWHDEP-UHFFFAOYSA-N 302.374 1.945 0 40 DDAB CN1CCN(C2=C(Cl)C(=O)N(c3ccccc3)C2=O)CC1 19789628 AZBGJYLUIARQRV-UHFFFAOYSA-N 305.765 1.258 0 40 DDAB Cc1cnc2c(c1N1CCCCCC1)c(=O)n(C)c(=O)n2C 12226524 CUOOFXLJTRVVMG-UHFFFAOYSA-N 302.378 1.321 0 40 DDAB CCCN1C[C@@H](CN=c2[nH]nc(-c3ccon3)s2)CC1=O 562928531 PZFBKJOLYPGPCA-SECBINFHSA-N 307.379 1.285 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2cccnc2)C1 253492530 QDPLVDRSABCOAF-NWANDNLSSA-N 310.419 1.351 0 40 DDAB O=C([C@H]1CN(CCOc2ccccc2)CCO1)N1CCCCC1 1888910687 QILLEJOPKZBBKJ-QGZVFWFLSA-N 318.417 1.779 0 40 DDAB Cc1nc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)co1 1848353662 KRBPVWJFJWMAGW-CQSZACIVSA-N 316.361 1.658 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC(=O)N(C2CC2)C1 29461366 QZDKJFGZSDETPM-ZDUSSCGKSA-N 311.385 1.838 0 40 DDAB Cn1cc(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)nn1 240178528 YZBDBUDDSKQMLR-CQSZACIVSA-N 318.358 1.136 0 40 DDAB CC(C)/C=C/C(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056224161 KTIIDYLGLLFRRK-CSLAMCDYSA-N 315.417 1.705 0 40 DDAB O=C(N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1)C1(F)CC1 1565552654 RGKZQUKEQHKRQD-GJZGRUSLSA-N 319.380 1.385 0 40 DDAB Nc1nonc1-n1nnc(C(=O)O)c1-c1ccc(Cl)cc1 4281566 CLRVYAVIEOHTIZ-UHFFFAOYSA-N 306.669 1.251 0 40 DDAB COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4504995 YWSYUIMPWKQMBJ-OQHXTRMZSA-N 309.387 1.354 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NC[C@@H]1CCCO1 13806151 PKERDXVJKVETJI-AWEZNQCLSA-N 313.357 1.206 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714511 FGEASVLRIOGGBZ-LBPRGKRZSA-N 318.421 1.644 0 40 DDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCCN(C(=O)C3CC3)C2)C1 2055839519 AGTZGZOBMYSMQK-YOEHRIQHSA-N 316.405 1.473 0 40 DDAB CCOc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1 22999002 MKFYELVLNPTXOS-UHFFFAOYSA-N 319.405 1.482 0 40 DDAB O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc(Cl)s1 206889629 NLXSIVJRYHFPHW-VIFPVBQESA-N 312.778 1.354 0 40 DDAB C[C@H](NS(=O)(=O)N1CCOCC1)c1cc2ccccc2o1 40040353 WCOKBLBRHLDYHC-NSHDSACASA-N 310.375 1.660 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)c1cc(Cl)nc(N)n1 40067158 LQAWTFOGYLOTMQ-SECBINFHSA-N 306.753 1.988 0 40 DDAB Cc1ccc(OCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 40496986 QIPXKVIDRCWBSJ-CYBMUJFWSA-N 311.403 1.376 0 40 DDAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(C)C2)cc1 69559746 LUSHVTYVALUTBF-TZMCWYRMSA-N 304.390 1.563 0 40 DDAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1 308869 MOPOFMDTCBBHKB-UHFFFAOYSA-N 305.359 1.486 0 40 DDAB COc1ccc(C(=O)N2CCC(CC(N)=O)CC2)cc1OC 40542531 UWPJDEHYIWIACZ-UHFFFAOYSA-N 306.362 1.431 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCSCC1 40542210 ULGMEOFGCOFHFT-UHFFFAOYSA-N 304.415 1.931 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)NCc1ccco1 36799492 VURKCDDOCGIADZ-UHFFFAOYSA-N 302.330 1.725 0 40 DDAB O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1CCO 1615079 KSXOIXLSJDVXSI-UHFFFAOYSA-N 315.760 1.911 0 40 DDAB O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)n1cnnn1 32074406 NCBHHBBCSXZIFS-OAHLLOKOSA-N 311.320 1.718 0 40 DDAB COC(=O)CCCN(C)C(=O)c1ccc(CNC(C)=O)cc1 32278264 WQHIEPUAPVKFGQ-UHFFFAOYSA-N 306.362 1.348 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O 4702821 VLOFYTGPIZMFDG-SGMGOOAPSA-N 317.389 1.423 0 40 DDAB CN(CC1CCN(CCO)CC1)c1ncnc2ccccc12 69630074 DVWPYTUQZVURGA-UHFFFAOYSA-N 300.406 1.770 0 40 DDAB CCc1ccccc1-n1nnc(C(=O)NC[C@H]2CCCO2)c1N 4985074 PUINSPMOPLRAPW-GFCCVEGCSA-N 315.377 1.321 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccccn2)CC1 32823159 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1.995 0 40 DDAB CC(=O)c1cc(Cl)ccc1Oc1cc(=O)n(C)c(=O)n1C 984074 KAXVBOMGBJDMAI-UHFFFAOYSA-N 308.721 1.732 0 40 DDAB CCS(=O)(=O)N1CC[C@H]2O[C@H](c3nnc(C)o3)CC[C@H]21 107714412 GNQBMUGUUZOZFL-MXWKQRLJSA-N 301.368 1.022 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCCc3ccccc32)C1 46938548 WYQWWDWNZZDUKE-ZIAGYGMSSA-N 301.390 1.623 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(OC)cc1)C(=O)N2 20717120 QGSLERAOVJCVGS-LLVKDONJSA-N 315.333 1.371 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102202067 CLGZTQDXVYJPLL-JURCDPSOSA-N 320.389 1.541 0 40 DDAB CC(C)n1nnnc1SCc1cc(=O)n2ccccc2n1 24508421 DLMVSLDRNRGDND-UHFFFAOYSA-N 302.363 1.554 0 40 DDAB CC(C)N(C)C[C@@H]1CN(C[C@H]2CCOC2)Cc2nccn2C1 107209214 GIYJHOGSPCGPSI-HZPDHXFCSA-N 306.454 1.692 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 106918679 VQEXYIZVWOCXQF-FFSVYQOJSA-N 302.378 1.453 0 40 DDAB CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)s1 108339528 ZVCBLYWTBBFHEQ-LBPRGKRZSA-N 309.435 1.456 0 40 DDAB 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COc1cccc([C@@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)c1 29091033 COVWOHMOWKTBHE-LSDHHAIUSA-N 315.373 1.813 0 40 DDAB Cc1cc(N2CCN([C@@H](C)C(=O)N(C)C)CC2)nc(C(C)C)n1 40468445 PMGGDMFJMKCSMZ-AWEZNQCLSA-N 319.453 1.507 0 40 DDAB CC(C)N(CC(N)=O)Cc1cc(=O)n2cc(Cl)ccc2n1 31345935 ABUPKSWRAKWKMO-UHFFFAOYSA-N 308.769 1.044 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccccc1 40534620 BETMPTPOVFMJJW-CJNGLKHVSA-N 303.406 1.638 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2ccco2)C1 20572542 YOOXJJXQTZSQDY-UHFFFAOYSA-N 304.350 1.163 0 40 DDAB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)c1 4872030 KWAXNMVQELENOS-GVAFMPQTSA-N 311.337 1.587 0 40 DDAB CC(C)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 6256311 OSCFMWGUPKQVBP-UHFFFAOYSA-N 318.826 1.626 0 40 DDAB CC(=O)NCCNC(=O)C1CCN(c2ccc(Cl)cn2)CC1 32485734 ULSVCIDBUWETRC-UHFFFAOYSA-N 324.812 1.204 0 40 DDAB COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)cc1OC 2647461 VSXRYUDTFMVIBH-GFCCVEGCSA-N 320.389 1.692 0 40 DDAB NC(=O)C1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 32758153 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NC(=O)[C@@H]1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 53572931 IAUGWVOEHAYALM-GFCCVEGCSA-N 308.345 1.103 0 40 DDAB C[C@@H](COc1ccccc1)NC(=O)c1ccnc(-n2cncn2)c1 54099063 NLDSZHOUTCTZKR-ZDUSSCGKSA-N 323.356 1.860 0 40 DDAB CCOC(=O)CC(=O)N(CC(=O)OCC)Cc1ccccc1 34099790 AHXJAKSHPPOAQY-UHFFFAOYSA-N 307.346 1.532 0 40 DDAB Cn1cc(CCNC(=O)CCc2ccc3c(c2)OCO3)cn1 42717076 BEZRPEHDFMXBIL-UHFFFAOYSA-N 301.346 1.440 0 40 DDAB COc1ccccc1CNC(=O)N[C@H](C)C(=O)N1CCCC1 58017031 LXEPGKCLRIDHPW-GFCCVEGCSA-N 305.378 1.505 0 40 DDAB COc1cccc(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1 27565598 MKVUKBXFYAHNRV-CQSZACIVSA-N 305.378 1.186 0 40 DDAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)no1 44896809 SSVXXCDTEYUHQH-CYBMUJFWSA-N 317.345 1.554 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1cnc(-c2ccccc2)nc1 58267865 LINGYRUZRCELKZ-UHFFFAOYSA-N 312.373 1.742 0 40 DDAB COCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 44945402 BNCMYQSYKAXDKM-CHWSQXEVSA-N 322.409 1.141 0 40 DDAB O=S(=O)(Cc1nc(C2CC2)no1)c1ccc2c(c1)OCCO2 44948006 NZLOAUFGJHSOFJ-UHFFFAOYSA-N 322.342 1.692 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)N1 44940818 AGYGJUVGOGELFO-QMMMGPOBSA-N 303.240 1.240 0 40 DDAB Nc1nnc(SCC(=O)OCC(=O)Nc2ccccc2)s1 3358124 PCMFBAUYWYLSOG-UHFFFAOYSA-N 324.387 1.394 0 40 DDAB CCCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1 2377830 SIPBWSNPWLGCJF-UHFFFAOYSA-N 308.403 1.822 0 40 DDAB COC(=O)c1ccc(CNC(=O)COc2ccccc2O)cc1 48249998 XCWPNCJAWRGHEP-UHFFFAOYSA-N 315.325 1.874 0 40 DDAB COC(=O)c1cnc(NC(=O)[C@@H]2Cc3ccccc3O2)s1 12885797 KMSPRPMRLKOWBN-JTQLQIEISA-N 304.327 1.872 0 40 DDAB COc1ncccc1NC(=O)N1CCN(c2ccccn2)CC1 48415295 PAQDBEUQDDFRBA-UHFFFAOYSA-N 313.361 1.839 0 40 DDAB O=C(Nc1cc(Nc2ccc3nnnn3n2)ccc1F)C1CC1 12972336 QOWARZGOSZUXKX-UHFFFAOYSA-N 313.296 1.751 0 40 DDAB CCN(C(=O)[C@H](C)NC[C@@H]1CN(C)CCO1)C1CCCCC1 69652675 QIPQFBBPQLGEON-GOEBONIOSA-N 311.470 1.476 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN(CCCN3CCCC3=O)C2)n1 69699313 ZPPZWPLYOHTLIQ-INIZCTEOSA-N 319.453 1.619 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccccc1Cl 13686500 FPQVHGXHIGZSTE-WCBMZHEXSA-N 302.808 1.200 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CNC[C@H](O)CN1CCCC1 65476344 HBHIMMWZOANPSI-AWEZNQCLSA-N 323.485 1.156 0 40 DDAB CN1CCc2ncnc(N3CCC(N4CCCC4)CC3)c2C1 65474260 DQULKZVVYPVMNL-UHFFFAOYSA-N 301.438 1.529 0 40 DDAB COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(F)cc2F)CC1=O 8235041 AVWMEXKAYZJTLF-NXEZZACHSA-N 312.316 1.787 0 40 DDAB CO[C@H](C)CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69737546 WERBMLPRBMZHJA-GDBMZVCRSA-N 306.406 1.289 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCC2 4767831 ZOVAFVGYJQKJBV-UHFFFAOYSA-N 310.375 1.629 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 4702812 FFLXBNFRQNGMHI-ZNMIVQPWSA-N 301.390 1.723 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccoc1 14804334 LTBTVABTDRMWLV-UHFFFAOYSA-N 308.359 1.460 0 40 DDAB O=C(COc1cccc(F)c1)NCc1nnc2ccccn12 18124131 KJAYTSNZYGXQNA-UHFFFAOYSA-N 300.293 1.564 0 40 DDAB C[C@@H](CNC(=O)c1cccnc1Oc1cccnc1)N(C)C 69452917 UBDKZOACNRURMC-LBPRGKRZSA-N 300.362 1.949 0 40 DDAB NC(=O)[C@@H]1COCCN1CCOc1ccccc1C(F)(F)F 92231012 OZGGLMVHKQGMOD-NSHDSACASA-N 318.295 1.270 0 40 DDAB CC[C@@](NC(=O)COc1ccccc1OC)(C(N)=O)C(C)C 96005963 MMXHZILNPYYUFA-INIZCTEOSA-N 308.378 1.480 0 40 DDAB COc1ccccc1N1CCN(c2ncc(C(=O)O)cn2)CC1 71670626 RZPJAWFVSOVDNE-UHFFFAOYSA-N 314.345 1.510 0 40 DDAB O=C([C@@H]1CCCCn2nnnc21)N1CCC2(CCCO2)CC1 71758948 REFQUVVISWHDLC-GFCCVEGCSA-N 305.382 1.112 0 40 DDAB CC1(C)C[C@@H]1CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 96417763 HGTSIQQUQWOCFB-MRVPVSSYSA-N 317.315 1.868 0 40 DDAB O=C(CNC1(c2ccc(F)cc2)CCOCC1)N1CCOCC1 71886841 JIHBJXCCLMAWPB-UHFFFAOYSA-N 322.380 1.280 0 40 DDAB NC(=O)[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 71832849 ADQHWJQSFAHMGY-WMLDXEAASA-N 309.369 1.608 0 40 DDAB C[C@@H](OC[C@@H](O)CNC(=O)c1ccc[nH]c1=O)c1ccccc1 71829224 IDDMLGWZJCXZAA-OCCSQVGLSA-N 316.357 1.243 0 40 DDAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCS(=O)(=O)CC2)c1 71803860 WQUXMZTXWKWRIF-ZDUSSCGKSA-N 310.419 1.804 0 40 DDAB COCCN(CC(F)F)C(=O)N[C@@H](C)c1cn(C)nc1C 71803235 LSEMLRCOYIJXDS-VIFPVBQESA-N 304.341 1.713 0 40 DDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2ccn[nH]2)C1 72282836 YOOXCXISQCMTTC-NEPJUHHUSA-N 302.378 1.127 0 40 DDAB O=C(CCn1cnc2cnccc2c1=O)Nc1cccc(F)c1 97080145 FQJYKWAJUIGQGZ-UHFFFAOYSA-N 312.304 1.959 0 40 DDAB Cc1cc2c(=O)n(Cc3nnc(C4CC4)n3C)cnc2cc1F 97085573 BASDLDYIELSEDV-UHFFFAOYSA-N 313.336 1.898 0 40 DDAB COC[C@@](C)(O)CNC(=O)/C=C/c1ccc(Br)o1 72304502 KWFHIMGHTCGPNP-FUEXJSSKSA-N 318.167 1.569 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc(F)c1F 72300601 BDPIKQRDMSKWOU-GWCFXTLKSA-N 318.389 1.724 0 40 DDAB CCn1cc(C2CCN(CC(=O)NCC(F)(F)F)CC2)cn1 97203091 BBAMBUXOMFCSQX-UHFFFAOYSA-N 318.343 1.761 0 40 DDAB Cn1cc(C2CCN(Cc3nnnn3-c3ccccc3)CC2)cn1 97202843 MZPPMYMBBYNADM-UHFFFAOYSA-N 323.404 1.775 0 40 DDAB COc1ccc(COC[C@@H](O)CN2CCn3ccnc3C2)cc1 97201257 ONJGMUYCILHGJM-HNNXBMFYSA-N 317.389 1.285 0 40 DDAB O=C(OC[C@H]1CCCO1)c1ccc(CN2C(=O)CNC2=O)cc1 84398230 YYGRCQXTTJDNBL-CYBMUJFWSA-N 318.329 1.074 0 40 DDAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1ccc2c(c1)CCO2 95427322 VQWSHOJKQDNNPY-UHFFFAOYSA-N 321.340 1.978 0 40 DDAB CN(CCN1CCOC1=O)C(=O)c1ccc(-n2cccn2)cc1 89346204 LAHRXNRMQFOSNX-UHFFFAOYSA-N 314.345 1.397 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)[C@H]1COc2ccc(Cl)cc2C1 9918316 IPABOUZQEXUYLA-LLVKDONJSA-N 324.808 1.922 0 40 DDAB Cc1csc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)n1 75119661 LPRGTJZDGFXYPY-UHFFFAOYSA-N 318.402 1.411 0 40 DDAB CCN1C(=O)/C(=C/c2cc3c(cc2C)OCCO3)NC1=S 409007980 TXOYUTYPSOOJCG-XFFZJAGNSA-N 304.371 1.844 0 40 DDAB Cc1nnc(CC(=O)N2CCc3nc(N(C)C)sc3C2)s1 1548802904 PFPIOHGCSYOIIN-UHFFFAOYSA-N 323.447 1.496 0 40 DDAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1cccc(F)c1 35597102 DTECWLXEPPKHET-UHFFFAOYSA-N 305.309 1.092 0 40 DDAB NC(=O)c1ncn([C@@H]2CCCN(Cc3ncccc3Cl)C2)n1 528457242 IEEAWUBZFLAKTF-SNVBAGLBSA-N 320.784 1.263 0 40 DDAB CCN(C[C@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 79411039 KLOBPMMLGDSXKQ-INIZCTEOSA-N 306.406 1.959 0 40 DDAB CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@@H](C)CO)ccc21 77695118 DLUCRIWPMOJCIB-LBPRGKRZSA-N 317.389 1.733 0 40 DDAB CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1F 132507370 WOYNLHJVZNYLTL-VIFPVBQESA-N 321.345 1.925 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)C2)n1 46087484 JSKLBSBDTASBPH-UPJWGTAASA-N 319.361 1.751 0 40 DDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc21 49659624 HSAKSSWRSZOJHX-JTQLQIEISA-N 324.402 1.374 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 225713316 QSKDPRVTIGHXSF-GFCCVEGCSA-N 312.439 1.205 0 40 DDAB COc1ccccc1OCC(=O)NCC[C@@H](O)c1ccco1 77111034 UETUAGMEFSTGMK-GFCCVEGCSA-N 305.330 1.907 0 40 DDAB Cc1cc(C(=O)N2CCN(c3nncc4ccccc34)CC2)no1 96418516 SHXLWTZEBLHMGW-UHFFFAOYSA-N 323.356 1.889 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C[C@@H](O)c1cccc(OC)c1 96406572 WUPTXICNTWNRHX-OAHLLOKOSA-N 308.422 1.965 0 40 DDAB O=C([C@@H]1CCC2(CCN(c3ncccn3)CC2)O1)N1CCCC1 96061245 YHSMUWCPKJBWDT-AWEZNQCLSA-N 316.405 1.617 0 40 DDAB O=C(O)C1(c2cccc(I)c2)COC1 95630845 WSGNJKVAYGJCMP-UHFFFAOYSA-N 304.083 1.644 0 40 DDAB COCCO[C@@H]1CCN(c2ncccn2)[C@H]1Cc1ccncc1 96200309 IWRNVCHLWUEWDY-JKSUJKDBSA-N 314.389 1.725 0 40 DDAB COCCCNC(=O)[C@]1(C)CC(c2ccc(OC)cc2)=NO1 96192797 MNGOYUAJVGRKLQ-INIZCTEOSA-N 306.362 1.731 0 40 DDAB O=C(NC1CC1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96188598 SMFLJRNLBMEHOK-GFCCVEGCSA-N 300.366 1.084 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247971249 UUFUHMYGGMAQLA-CYBMUJFWSA-N 324.340 1.572 0 40 DDAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)C(C)C)C2)ncn1 257306677 SVIBLSPRPBJNJV-LBPRGKRZSA-N 304.394 1.273 0 40 DDAB CCN[C@@H]1CCOC2(CCN(C(=O)c3ccnn3C)CC2)C1 257261182 LGBYCOVNGYIMDA-CYBMUJFWSA-N 306.410 1.183 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)C1 252507984 WZFSZQHLZUQCME-WDEREUQCSA-N 324.402 1.827 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CCC2(CC1)OCCC[C@@H]2O 257303578 SHUDQNCJSCPJTQ-AWEZNQCLSA-N 317.389 1.500 0 40 DDAB COc1ccccc1[C@H]1CN(C(=O)c2cnco2)CCN1C 257243424 IGWZSYVTHVZWEY-CYBMUJFWSA-N 301.346 1.812 0 40 DDAB CNc1nc([C@H]2CCCN(C(=O)CCOC)C2)cn2nccc12 257310707 UGEXLZODSHBHGG-LBPRGKRZSA-N 317.393 1.514 0 40 DDAB CN(C)c1cc(CC[C@H]2CN(c3ncccn3)CCO2)ccn1 257328786 XHCPRSDHYVAZEN-HNNXBMFYSA-N 313.405 1.776 0 40 DDAB COCC[C@H](CO)NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 252488881 JBELXUMXHLYKDA-MGPQQGTHSA-N 310.398 1.063 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccn(C)n2)C[C@@H]1c1ccccc1 257333175 YAMZROMZEMKHPE-MRXNPFEDSA-N 312.373 1.466 0 40 DDAB C[C@@H](C(=O)O)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 263553327 MLVNHCKTVRTWFK-DGCLKSJQSA-N 304.346 1.361 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1ccon1)c1cccc(F)c1 96388621 LOXYOGIQXHILAH-NSHDSACASA-N 307.281 1.256 0 40 DDAB CC(C)CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccco1 585287707 BROJXJBUSBTXGR-SQUTVLSRSA-N 323.389 1.146 0 40 DDAB Cn1cnc(CN2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)c1 585278373 CXMNIDRTRJHJHQ-RHSMWYFYSA-N 303.381 1.985 0 40 DDAB C[C@@H](OCC1CC1)C(=O)NCCC(=O)N(C)Cc1ccccc1 65611500 JYMPBMMSYJCEKC-CQSZACIVSA-N 318.417 1.966 0 40 DDAB Cn1ncc2c(NCCCC(C)(C)C3OCCO3)ncnc21 69739072 CGSABYGFABLHNJ-UHFFFAOYSA-N 305.382 1.955 0 40 DDAB O=C(Nc1cnn(CCO)c1)c1cc(-c2cccs2)on1 66672247 VHCAJDWATZTXIN-UHFFFAOYSA-N 304.331 1.844 0 40 DDAB O=C(Cc1ccc(F)cc1F)N1CC(OC[C@H]2CCOC2)C1 1565522413 PGJCQPWMXBZMGC-NSHDSACASA-N 311.328 1.771 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(Cc2c(C)nn(C)c2C)C1 1615142891 DGAARPKSBHHCIM-QGZVFWFLSA-N 322.453 1.544 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(Cc3cn(C)cn3)CCO2)cc1 643913760 FYWRTPYVPWWPPR-GOSISDBHSA-N 315.417 1.535 0 40 DDAB Cc1cc(N2CC[C@@H](COc3ccccn3)C2)n2ncnc2n1 1888931020 AZGURKXOGDNPRQ-CYBMUJFWSA-N 310.361 1.733 0 40 DDAB Cc1cc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)n2ncnc2n1 1889084201 AUZGJTDXEJFWHH-LLVKDONJSA-N 302.382 1.174 0 40 DDAB O=C(N1CCOCC1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889128729 SWIFAFFYXWZUIX-KGLIPLIRSA-N 302.378 1.044 0 40 DDAB Cc1cc(OCC2CCN(c3cc(=O)n(C)cn3)CC2)ccn1 1775995132 DCTGSQFANXHQRI-UHFFFAOYSA-N 314.389 1.779 0 40 DDAB CCCCCn1c(=O)[nH]c2cc(C(=O)NC3CC3)ccc2c1=O 3906567 QYTSDPMQXPGVEG-UHFFFAOYSA-N 315.373 1.772 0 40 DDAB CCOCC(=O)NC[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 8925570 MAEAMYYTQPCLEW-ZDUSSCGKSA-N 320.389 1.591 0 40 DDAB COc1ccc2cc(C(=O)NC[C@H](O)c3cccn3C)[nH]c2c1 206697518 ICRORNFTYZCOBM-INIZCTEOSA-N 313.357 1.978 0 40 DDAB Fc1cncnc1N1CC[C@@H](COc2ccc3nccn3n2)C1 2298070636 VCUVMQCMSWIKCL-LLVKDONJSA-N 314.324 1.564 0 40 DDAB Cc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ncn1 2298212729 KENLLMNDNYHLIV-UHFFFAOYSA-N 310.361 1.876 0 40 DDAB COC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327861 OSRUKCSUSQOQGC-UHFFFAOYSA-N 301.331 1.451 0 40 DDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnccn1 31033322 KSDSWJQJMSYNSI-UHFFFAOYSA-N 300.318 1.104 0 40 DDAB C/C=C/CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40485058 SYSYBKFEQCOXJX-HWKANZROSA-N 314.389 1.570 0 40 DDAB Cn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 31468 WYYOHIHESUZJDM-UHFFFAOYSA-N 317.296 1.960 0 40 DDAB O[C@H](CN1CCN(c2ncccn2)CC1)c1ccccc1Cl 40528223 DAVFTZJPZSSYQH-OAHLLOKOSA-N 318.808 1.986 0 40 DDAB CCc1cc(C)cc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c1 253624 IWRZXBKIXBFSOD-ZDUSSCGKSA-N 320.389 1.628 0 40 DDAB CC(C)(C)NC(=O)CSc1nnnn1-c1cccc(F)c1 410611 HKIMXBJKDOODLP-UHFFFAOYSA-N 309.370 1.808 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)CO2 423106 AMPDRAYGYXUBPZ-UHFFFAOYSA-N 311.341 1.432 0 40 DDAB Nc1nccnc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 11408878 VPIXMXHLKNRQJH-UHFFFAOYSA-N 317.780 1.675 0 40 DDAB CCOC(=O)C1=C(CN2CCOc3ccccc32)NC(=O)NC1 40504764 SIIKQPAOWPIFKJ-UHFFFAOYSA-N 317.345 1.015 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C)n1N 1018382 QRIKCGGDURXRQD-UHFFFAOYSA-N 311.798 1.993 0 40 DDAB CCC[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(C)cc2)C1=O 51373560 MEAAZFOJRDTLPD-SUMWQHHRSA-N 320.389 1.845 0 40 DDAB CN(CC(=O)NCCCOC[C@H]1CCOC1)Cc1ccccc1 71920817 GWLWGOIDQAYBRP-QGZVFWFLSA-N 320.433 1.678 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc4ccccc34)[C@H]2C1 4227015 HGSBXHAYMXBNSO-OCCSQVGLSA-N 318.423 1.700 0 40 DDAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CC(=O)[C@@H]3CC2=O)c1 4872031 KWAXNMVQELENOS-APYUEPQZSA-N 311.337 1.587 0 40 DDAB CN(CCCC[C@H](O)CN(C)C(=S)S)C(=S)S 6437442 YLXPQEHODVVOHN-QMMMGPOBSA-N 312.551 1.811 0 40 DDAB Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1 386035 KWVFUGFGMQEPKG-UHFFFAOYSA-N 319.386 1.996 0 40 DDAB Cc1cc(C)c(OCC(=O)Nn2c(C)nnc2S)c(C)c1 32741448 WPBAXSZIASFAHH-UHFFFAOYSA-N 306.391 1.950 0 40 DDAB Cc1ccc(SCCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 8762456 IRHYXNUWALAQMK-NSHDSACASA-N 311.359 1.521 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c1 32853862 BZBPAITUOPLOLM-AWEZNQCLSA-N 306.362 1.397 0 40 DDAB COc1ccc(OC)c(C(=O)NCCNC(=O)c2ccco2)c1 32908626 BHHNJJMZAOFQSQ-UHFFFAOYSA-N 318.329 1.457 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccs1 102636596 PEILTWKMNPODGK-TXEJJXNPSA-N 306.387 1.540 0 40 DDAB O=C(CSC1=NCCS1)NCc1ccc(C(=O)O)cc1 9026897 CUOCEHKOFIZXCC-UHFFFAOYSA-N 310.400 1.837 0 40 DDAB CCOC(=O)[C@]1(Br)C(=O)Nc2ccccc2C1=O 500444 KZAHGSCWVYAKAK-GFCCVEGCSA-N 312.119 1.518 0 40 DDAB CN1N=C(c2ccncc2)[C@@H](C(=O)c2ccc3c(c2)OCO3)C1=O 103263871 XNLWSFAMZHANEC-AWEZNQCLSA-N 323.308 1.486 0 40 DDAB Cc1cc(C)c(NCC(=O)N(C)CC(=O)NC2CC2)c(C)c1 22907019 ACEZGXYAYHXCCF-UHFFFAOYSA-N 303.406 1.761 0 40 DDAB O=C(CC1CCCC1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 23100608 NVKWIRKBLHVXQZ-UHFFFAOYSA-N 317.389 1.240 0 40 DDAB CC(C)CO[C@H](C)C(=O)NCc1cccnc1N1CCOCC1 42495001 SWCCUPPFKBPHHJ-CQSZACIVSA-N 321.421 1.596 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)/C=C/c1cnn(C)c1C 104320155 OATQTPSNFAPJEI-HNAAWFTRSA-N 317.389 1.446 0 40 DDAB Cn1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1=O 47092274 ZAIHWDRFNHWHIC-UHFFFAOYSA-N 309.325 1.970 0 40 DDAB CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1c[nH]c(=O)cn1 55308886 FHWPTBWEBHKJJQ-NSHDSACASA-N 307.375 1.245 0 40 DDAB COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)c(OC)c1 25165873 UNFQLGQERQCAAH-UHFFFAOYSA-N 318.373 1.398 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C[C@@H](O)Cn2cccn2)n1 106844510 XKVRYLUWNIPRKB-HZPDHXFCSA-N 303.410 1.222 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 170613082 RPVUQQKYFIJTBV-XQQFMLRXSA-N 309.369 1.794 0 40 DDAB Cc1ccc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)o1 43723298 XGIAIFJXILWNGE-ZDUSSCGKSA-N 315.377 1.971 0 40 DDAB O=C(CN1CCc2ccccc21)N[C@H]1CCCc2[nH]c(=O)ccc21 57154462 VMELJJXIXCSQGW-INIZCTEOSA-N 323.396 1.931 0 40 DDAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccs2)C1 26957913 SRSAZAWENVCRTK-LBPRGKRZSA-N 318.464 1.383 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2nccs2)CC1 12520774 CLJJKKLZIUVLSP-UHFFFAOYSA-N 313.386 1.982 0 40 DDAB Cc1ccc(CNC(=O)CN(CC(N)=O)CC(C)C)cc1F 44898848 SAWBCXNRVXZFOK-UHFFFAOYSA-N 309.385 1.194 0 40 DDAB Cc1ccc(/C=C/C(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)o1 58281726 MHSHYAAHNYQJRG-AGKLADILSA-N 320.389 1.743 0 40 DDAB Cc1cccc(C(=O)NCC(=O)OCC(=O)N2CCCCC2)c1 3256159 PRYKWOLWVDAVIG-UHFFFAOYSA-N 318.373 1.281 0 40 DDAB CN1CCN(c2cc(CNC(=O)c3ccsc3)ccn2)CC1 44952849 VYBINSMUWJLYRX-UHFFFAOYSA-N 316.430 1.825 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)N1CCc2ccccc2C1 44907200 QTFWDVKFSVVQDL-UHFFFAOYSA-N 320.418 1.155 0 40 DDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCCO1 27864594 USAUJKINNNVEEE-BXUZGUMPSA-N 317.393 1.357 0 40 DDAB Cc1cc2n(n1)C[C@@H](CNC[C@H](O)c1cccc(F)c1)CN2 58342003 PESZGRSWFBUAAL-WFASDCNBSA-N 304.369 1.696 0 40 DDAB CC(=O)Nc1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc1 62001835 GTRNIURFMXHQRF-KGLIPLIRSA-N 324.384 1.825 0 40 DDAB biogenic COCCNC(=S)N1CCC(C(=O)c2ccc(O)cc2)CC1 10845702 OGRKSDSYNJWCAX-UHFFFAOYSA-N 322.430 1.808 0 40 DDAB COc1ccc([C@@H](C)NC(=O)c2ccn(C)c(=O)c2)cc1OC 45387199 BKTQWPXMLUVDEM-LLVKDONJSA-N 316.357 1.894 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)Nc1ccncc1 45376143 SVSOTCOQDLWZRC-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB Cc1nc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 48303181 XIWMYRAGAFXCIC-RGDDUWESSA-N 323.462 1.938 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)Nn2cnc3ccccc32)cc1 12995132 VIYGGSSBSHXAAW-UHFFFAOYSA-N 315.354 1.824 0 40 DDAB Cc1nnc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)s1 69325293 SGUTUYYNPSBKDW-LLVKDONJSA-N 319.390 1.893 0 40 DDAB C[C@@H](c1ccccc1)N(C)CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12997126 SGOFKAQHBYNERX-BBRMVZONSA-N 324.446 1.373 0 40 DDAB CCN(CC)C(=O)CNC(=O)[C@H]1COc2cc(OC)ccc2C1 69488365 PDUTWPXOJIGACO-CYBMUJFWSA-N 320.389 1.231 0 40 DDAB C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)CC(N)=O 49248527 OBBOUBFGKJXXTB-ZETCQYMHSA-N 305.161 1.704 0 40 DDAB COc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 17114445 ISJYHSJSCIVWMS-UHFFFAOYSA-N 317.345 1.595 0 40 DDAB NC(=O)[C@@H](NC(=O)CCCNc1ncccn1)c1ccccc1 49625074 YZLKJGDUIXGQBT-AWEZNQCLSA-N 313.361 1.012 0 40 DDAB CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 49992756 DUKHJPHNIIBSNX-UHFFFAOYSA-N 304.781 1.913 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)NCCC(=O)N(C)C)ccc12 49956363 IIGXKBQZFYJESC-UHFFFAOYSA-N 317.345 1.701 0 40 DDAB COc1ccc(C(C)C)cc1CN1C[C@@H]2CNC[C@]2(C(=O)O)C1 65405475 BOVBTYACHFKJET-YJBOKZPZSA-N 318.417 1.925 0 40 DDAB Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(=O)[nH]1 65514178 CSEXCQCDFZWQMF-UHFFFAOYSA-N 316.342 1.725 0 40 DDAB O=C(c1cnns1)N1CCC[C@H]1c1nnc2n1CCCCC2 65552970 VFMRGZPYRVUQRM-JTQLQIEISA-N 318.406 1.833 0 40 DDAB CN1CCO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1 65614885 AOODXFDGHHBLLC-QGZVFWFLSA-N 300.406 1.352 0 40 DDAB O=C(c1ccco1)N1CCN(Cc2cn3ccccc3n2)CC1 14217438 VSKIKUKFBVCTLS-UHFFFAOYSA-N 310.357 1.885 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)n(C)c1 9113312 FGNDIWKXUFKRDU-LLVKDONJSA-N 321.402 1.424 0 40 DDAB COc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c(OC)c1 6642051 DJCDVINYGWIKFV-JTQLQIEISA-N 309.347 1.199 0 40 DDAB CCN1C[C@@H](C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1=O 66690088 FZPMSDADDXEUFL-SWLSCSKDSA-N 320.364 1.594 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc2ccccc2n1 5847216 OYXLEYMZTGJVSN-UHFFFAOYSA-N 315.329 1.627 0 40 DDAB Cc1nc(C)n([C@@H](C)CNC(=O)c2ccc3c(c2)OCO3)n1 4988328 LRVNWNFVDHGTGV-VIFPVBQESA-N 302.334 1.615 0 40 DDAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 7126607 PLIKFEMFLKPQMV-QGZVFWFLSA-N 317.389 1.494 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)NCCc1ccco1 9254503 GYDIAWJQJSPXQM-UHFFFAOYSA-N 316.357 1.767 0 40 DDAB COCCn1ccc(NC(=O)Nc2ccc(C(N)=O)c(F)c2)n1 96013203 LTJVSPZFKMZEIF-UHFFFAOYSA-N 321.312 1.412 0 40 DDAB COc1cccc(CN2CC(n3cc(C(C)(C)O)nn3)C2)c1 96000074 IXVGOYVHKWJFTN-UHFFFAOYSA-N 302.378 1.571 0 40 DDAB C[C@H](Oc1ccccc1F)C(=O)NCCCn1ncccc1=O 23241627 MXPZYPODYIRMAU-LBPRGKRZSA-N 319.336 1.356 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 71871156 AKXPNEJBGQGBMD-JTQLQIEISA-N 317.311 1.239 0 40 DDAB COc1ccnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1 71859459 OBQJQWQTUFIXKR-LBPRGKRZSA-N 300.366 1.380 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3ccn(C(C)C)n3)C2)no1 76047306 BYPYHYWWMMNYQK-OAHLLOKOSA-N 318.425 1.862 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCS(C)(=O)=O 72253984 RTGNBQOFMDAWOL-JTQLQIEISA-N 305.831 1.563 0 40 DDAB C[C@H](Cn1cccn1)NCc1csc(-c2ncccn2)n1 72270793 GKUHGZMYBHRNMZ-LLVKDONJSA-N 300.391 1.975 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnnn1C1CC1 72268625 QLDZNIXKWQJTEO-KBPBESRZSA-N 318.425 1.373 0 40 DDAB CSCCN(C)c1cc(Br)cnc1C(N)=O 97095848 NAKZQLLEOMZYJU-UHFFFAOYSA-N 304.213 1.742 0 40 DDAB O=S(=O)(N[C@@H](CO)c1ccccc1)c1cccc(F)c1F 97020738 VRIRTDNVMVPKIW-LBPRGKRZSA-N 313.325 1.977 0 40 DDAB Cn1cc(Br)c(=O)c(NC(=O)c2cccnc2)c1 97050197 GTSBRHXSSVBGLM-UHFFFAOYSA-N 308.135 1.795 0 40 DDAB Cc1cc(NC(=O)CN2CCC(c3cnn(C)c3)CC2)on1 97203208 AAQWUTZMOYBAHO-UHFFFAOYSA-N 303.366 1.535 0 40 DDAB Cc1cccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 97378694 FEZSJXIDAOGOBL-GXTWGEPZSA-N 304.394 1.574 0 40 DDAB CC(C)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 78870180 MHJVDBHUGYOPTB-NSHDSACASA-N 311.407 1.715 0 40 DDAB O=S(=O)(CCNCc1cccc2[nH]ccc12)NCC1CCC1 95394354 MVDNQZCWWGJRGD-UHFFFAOYSA-N 321.446 1.977 0 40 DDAB COc1ccccc1NCC(=O)N[C@@H](C)[C@@H](C)n1cncn1 95396496 GSEAWXHXWYNGJZ-NWDGAFQWSA-N 303.366 1.465 0 40 DDAB CS[C@H]1CN(Cc2nc(-c3cccnc3)no2)C[C@H]1N(C)C 95446843 CMPRTNGYBLSCFH-OLZOCXBDSA-N 319.434 1.609 0 40 DDAB CSCCCNC(=O)NCc1cn(C)nc1C(F)(F)F 95431849 MAJRHYYSGZMUBL-UHFFFAOYSA-N 310.345 1.991 0 40 DDAB COc1cc(C(=O)N[C@@H](C)CCN2CCOCC2)ccc1F 95966899 UIBFCBVGJHJVQL-LBPRGKRZSA-N 310.369 1.675 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C(N)=O)nc2)on1 95956359 ZOYWUVFRFKBEDF-LBPRGKRZSA-N 300.318 1.454 0 40 DDAB COc1cccc(CN(C)C(=O)c2ccc(C)[nH]c2=O)c1OC 75118150 RYGWCDLSDWGZJS-UHFFFAOYSA-N 316.357 1.973 0 40 DDAB CN(C)c1ccnc(CNC(=O)N[C@H]2CC23CCOCC3)c1 1548454008 QAJIOKPHKXLEHI-AWEZNQCLSA-N 304.394 1.516 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2nnc(C)s2)c1C 72239045 OOORNWTYLZPNDP-UHFFFAOYSA-N 301.397 1.481 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1CCc1cc(Cl)ncn1 72343976 DXKHIIULZYYKTO-NSHDSACASA-N 303.815 1.877 0 40 DDAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(O)=Nc2nncn21 44901193 SUDGAMYGDYTAIF-ZETCQYMHSA-N 311.223 1.867 0 40 DDAB COc1ccc([C@@H]2C[C@@H](C)N(CCNS(C)(=O)=O)C2)cc1 76391410 KDWVEJULAWKHJC-TZMCWYRMSA-N 312.435 1.422 0 40 DDAB NC(=O)CN1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 72355719 GBVJQEVSGMVYOT-MRXNPFEDSA-N 314.364 1.829 0 40 DDAB O=C(c1ccncc1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72351205 DVTWAFYJEOWSQS-GFCCVEGCSA-N 308.345 1.768 0 40 DDAB Cn1cc(S(=O)(=O)NCc2cccnc2-c2ccco2)cn1 225663046 SJCNNMVVXKAPBZ-UHFFFAOYSA-N 318.358 1.554 0 40 DDAB COc1ncccc1CCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 574275674 PYFMLNZPWQTPCI-KBUPBQIOSA-N 315.373 1.228 0 40 DDAB CS(=O)(=O)c1nccn1Cc1nccn1Cc1ccccc1 81272574 KWLMZTZHGNLBEV-UHFFFAOYSA-N 316.386 1.580 0 40 DDAB CNS(=O)(=O)c1cccc(NC(=O)c2ccn(C)c2C)c1 195103945 QNDGMYUXWFEQBL-UHFFFAOYSA-N 307.375 1.494 0 40 DDAB Cn1cccc1-c1noc(CNC(=O)/C=C/c2cccnc2)n1 225767921 MVJCZESNIKYWMV-VOTSOKGWSA-N 309.329 1.800 0 40 DDAB CCN1CCO[C@@H](C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)C1 83003461 VVXNKDQERIAREE-WMLDXEAASA-N 317.433 1.574 0 40 DDAB Cc1ncc(CS(=O)(=O)c2nc(C(C)(C)C)n[nH]2)s1 195175444 CXEMEGMWBIMSLZ-UHFFFAOYSA-N 300.409 1.841 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)c3ccsc3)C2)nn1 225436605 NDGQQBZIUQBPIX-NSHDSACASA-N 305.359 1.840 0 40 DDAB C[C@@H](C(=O)NCC(=O)N(C)C)n1cc(-c2ccccc2)cn1 227165709 FBUQVXPNPQRVNA-LBPRGKRZSA-N 300.362 1.316 0 40 DDAB Cc1cc(NC(=O)N2CC[C@@H](C(=O)N(C)C)C2)cn2ccnc12 333939490 NHBUCSDNDOIDIR-GFCCVEGCSA-N 315.377 1.585 0 40 DDAB CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O 96296084 MMRYJGVLEIXPCJ-BZPMIXESSA-N 300.443 1.303 0 40 DDAB biogenic,in-vitro Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCCC1 96423551 CKXNLSLYKYEXIM-UHFFFAOYSA-N 308.403 1.771 0 40 DDAB CCC(CC)c1nnc(NC(=O)NCC[S@](C)=O)s1 96433882 QCFQSRVJIOMUSM-LJQANCHMSA-N 304.441 1.942 0 40 DDAB CCOCC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 96451562 YZSYDVNPDLUWTK-UHFFFAOYSA-N 322.380 1.466 0 40 DDAB Cn1cc(CN2CCCn3c(CN4CCCC4)nnc3C2)cn1 96259714 PGWXIGOPSJGUKY-UHFFFAOYSA-N 315.425 1.013 0 40 DDAB CCCCCC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O 514289036 OOLOKKYESITXLX-SGMGOOAPSA-N 320.380 1.152 0 40 DDAB biogenic,in-vitro O=S(=O)(c1cncc(F)c1)N1CCO[C@H]2CCCC[C@@H]21 96402466 AWJQNJJQCPEQJH-STQMWFEESA-N 300.355 1.553 0 40 DDAB O=C(c1ccoc1)N1CCO[C@]2(COCCN(CC3CC3)C2)C1 96228913 QYQKUYOGGNAFJX-KRWDZBQOSA-N 320.389 1.233 0 40 DDAB Cc1cccc(C)c1CNCCNS(=O)(=O)c1ccn(C)c1 91064348 GRNQECHESKATHH-UHFFFAOYSA-N 321.446 1.710 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2cc(F)ccc2C)[C@@H](C)C1 96492144 LGTVDFGXUBLZIG-ZDUSSCGKSA-N 322.380 1.844 0 40 DDAB CCC(=O)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076545 HTNGPSXJDKVKHD-MRXNPFEDSA-N 304.394 1.332 0 40 DDAB COCCN1CC[C@H](NC(=O)NCC2(c3ccccc3)CC2)C1 96413266 NEVSDRWZBKHNTD-INIZCTEOSA-N 317.433 1.738 0 40 DDAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N2CCOCC2)cc1 95479088 LHNLHNSFTKAHRB-UHFFFAOYSA-N 315.373 1.795 0 40 DDAB O=C(NCCN1CCOCC1)N1CCc2ccccc2CC1 96408001 JKQHVSSCDIQERQ-UHFFFAOYSA-N 303.406 1.129 0 40 DDAB O=C1CCCN1C[C@H]1CN(C2CCCC2)Cc2ccnn2C1 248008317 UVUKUGIFZNLOKG-AWEZNQCLSA-N 302.422 1.880 0 40 DDAB O=C(O)[C@@H]1CCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 257226246 FJUKWUNRPFPRSN-SECBINFHSA-N 305.309 1.568 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2cnccn2)n1 257227675 FQJSYUIREJGDBP-CYBMUJFWSA-N 300.366 1.190 0 40 DDAB Cc1cnc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)cn1 257229746 FZIKKKNXWGXWPS-GFCCVEGCSA-N 313.361 1.399 0 40 DDAB COC(=O)c1cc(S(=O)(=O)N(C)c2ncccn2)cs1 252509116 YCSNCFQWNGGQFV-UHFFFAOYSA-N 313.360 1.150 0 40 DDAB Cn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CCCc4cn[nH]c43)cc21 269814509 NFZCEYPAZKZVNO-LBPRGKRZSA-N 311.345 1.397 0 40 DDAB CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 264765268 NIHZOLWKUCPKJL-CHWSQXEVSA-N 302.382 1.462 0 40 DDAB Cc1cscc1-c1nc(CN2C(=O)NC(C)(C)C2=O)no1 278212909 WJXJBMZJWXKJMN-UHFFFAOYSA-N 306.347 1.937 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3ncccc3C#N)CC2)n1 68126271 GGAWPFJODZNHLA-UHFFFAOYSA-N 323.404 1.444 0 40 DDAB Cn1ccc(CC(=O)N2CCc3ncnc(C4CC4)c3CC2)n1 585110535 TVUSICSGDZTBAQ-UHFFFAOYSA-N 311.389 1.257 0 40 DDAB Cc1c(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cnn1C 585291824 DSGRPTKPRLVOFB-BRWVUGGUSA-N 319.380 1.189 0 40 DDAB Cn1ccnc1-c1nccnc1C[C@@H]1CCCN(CCO)C1 585178933 WOYKLZDZCRKZIX-ZDUSSCGKSA-N 301.394 1.124 0 40 DDAB CCN1CC[C@@]2(CN(Cc3cc(C)[nH]n3)CC(F)(F)C2)C1=O 585093402 UVPQHOYGHZBFGA-CQSZACIVSA-N 312.364 1.798 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 42367349 IZJNMCZYZUUASD-CHWSQXEVSA-N 304.394 1.179 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H]1C(=O)NCC(F)(F)F 54991360 KGXXVLBOFYQDKM-NSHDSACASA-N 305.300 1.934 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 68661292 PXXLOXAECWIHNB-MNOVXSKESA-N 318.377 1.047 0 40 DDAB CN(C)CCOc1ccc(CN[C@@H]2CCc3ncnn3C2)cc1 69521331 XCJMZNXOHSRKPX-OAHLLOKOSA-N 315.421 1.323 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)cn1 69738316 RPLCFUHOYLTDFQ-OAHLLOKOSA-N 323.360 1.373 0 40 DDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCCS1(=O)=O 69778058 IZQXNYAPZYUGID-BQYQJAHWSA-N 317.370 1.448 0 40 DDAB COC(=O)C[C@@H](NC(=O)CCn1ccnc1)c1ccccc1 69818855 FJBCVQCKXSPRKA-CQSZACIVSA-N 301.346 1.694 0 40 DDAB COc1ccc(C(=O)N[C@H](C)C2CCC2)cc1-n1cnnn1 97081430 HCUJXYRYHCCXPB-SNVBAGLBSA-N 301.350 1.589 0 40 DDAB COc1ccc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)cc1 12114785 MMIVUFRAZGKPHL-UHFFFAOYSA-N 323.356 1.848 0 40 DDAB Cc1nc(CNS(=O)(=O)Cc2ccc(Cl)cc2)no1 19286073 DWMKIGSCJLHAIV-UHFFFAOYSA-N 301.755 1.651 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cncc(F)c3)C2)nn1 1888849848 AXVPJDUYCBKAFY-LBPRGKRZSA-N 316.336 1.860 0 40 DDAB CN([C@@H]1CCN(c2cnc3ccccc3n2)C1)S(C)(=O)=O 1888863999 SDCLWEAAWYTGBR-LLVKDONJSA-N 306.391 1.100 0 40 DDAB Cn1ccnc1N1CCN(c2ncnc(C3CC3)c2F)CC1 1888890165 KHEAABHJJVJVAG-UHFFFAOYSA-N 302.357 1.553 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 239808102 KHNPDFRILYTAOZ-ZDUSSCGKSA-N 321.402 1.494 0 40 DDAB O=C(CC1CCOCC1)N1CC2(C[C@@H](NCC3CC3)CS2)C1 2056223620 WPXWTGVYIGITAC-OAHLLOKOSA-N 324.490 1.889 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@]21C(=O)NC1CCC1 2056225418 VMDMXJBQBPYTSI-BDJLRTHQSA-N 303.337 1.494 0 40 DDAB COCc1ccc(C(=O)N2CC[C@@H]3CN(C)CCO[C@H]3C2)cc1 1565548193 ZDOOZCCULSAAGU-SJORKVTESA-N 318.417 1.626 0 40 DDAB O=C(CCc1ccc[nH]1)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 1565544566 LYQSANKVBCFAPI-IRXDYDNUSA-N 317.433 1.659 0 40 DDAB COC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 4385891 VZHOLBOAQIAJJD-NORZTCDRSA-N 302.330 1.344 0 40 DDAB COCCN1C(=O)[C@@H](C(=O)O)[C@H]2C[C@]1(C)Oc1ccccc12 4511918 ANWDCYJXIAXLRD-RBOXIYTFSA-N 305.330 1.458 0 40 DDAB O=C(NC[C@H]1CCOCO1)Nc1cccnc1N1CCCC1 89773247 QRKLJRFQWWUEQI-GFCCVEGCSA-N 306.366 1.566 0 40 DDAB Cc1ccn2cc(C(=O)NCCCCN3CCOCC3)nc2c1 40541028 ZPMSETGGTGFWRA-UHFFFAOYSA-N 316.405 1.485 0 40 DDAB CS(=O)(=O)c1ccc(F)c(NC(=O)N2CCOCC2)c1 40526793 NJDKEQSNUCQNNS-UHFFFAOYSA-N 302.327 1.093 0 40 DDAB COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(OC)cc1 1702189 JAAFCACWWCLZFF-UHFFFAOYSA-N 303.314 1.496 0 40 DDAB Cc1cc(C)cc(OCCN(C)C[C@H](O)Cn2cccn2)c1 51500569 RMIHREKLQFYGNS-INIZCTEOSA-N 303.406 1.872 0 40 DDAB O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 4995854 FYMDPHPYLXMCGD-OXJKWZBOSA-N 305.717 1.711 0 40 DDAB Cn1c(=O)/c(=C\c2cccc(O)c2)s/c1=C\C(=O)C(C)(C)C 7700423 DHCSRSIXRBHFPQ-IJYCUAFPSA-N 317.410 1.377 0 40 DDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207179 MQKPHDPPBQKZQD-LLVKDONJSA-N 314.407 1.230 0 40 DDAB CCN1C(=O)C(=NNc2ccc(Cl)cc2)C(=O)N(CC)C1=O 103464436 CTOHVDKWRCEQSQ-UHFFFAOYSA-N 322.752 1.939 0 40 DDAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)O 9188936 UEVCWLPDGOFKCB-UHFFFAOYSA-N 311.359 1.166 0 40 DDAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)CC(N)=O)cc12 60564685 RYKJKGGRIOWXFN-UHFFFAOYSA-N 308.407 1.620 0 40 DDAB c1ccc2oc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)nc2c1 32909004 HKUWAURADRQZPD-ZFWWWQNUSA-N 317.389 1.977 0 40 DDAB CCCCNC(=O)C1CCN(c2cn[nH]c(=O)c2Cl)CC1 32923555 WFLFKEQMTIGZHV-UHFFFAOYSA-N 312.801 1.556 0 40 DDAB CC(C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 21733881 FOIHSEDXJALKGD-HNNXBMFYSA-N 308.309 1.544 0 40 DDAB C=CCn1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 868445 LJGZUZZOYBGSTE-UHFFFAOYSA-N 311.366 1.742 0 40 DDAB CC(=O)Nc1ccc(F)c(C(=O)N2CCN(CC3CC3)CC2)c1 54098565 XKTPHKPWNRRIJB-UHFFFAOYSA-N 319.380 1.952 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSCC(N)=O 42403884 PDYUKGSDWOOIBT-UHFFFAOYSA-N 324.402 1.025 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1 100664336 NHEDAEKECCCNGE-CDSWZMAWSA-N 322.364 1.678 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1c1ccccn1 55085569 BXQSGBPBESDGQM-HNNXBMFYSA-N 304.394 1.260 0 40 DDAB Cc1ccc2nc(C)c(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2c1 55254358 VHGIMSYOVGOHDM-YGRLFVJLSA-N 302.330 1.415 0 40 DDAB CCNC(=O)Nn1c(-c2ccccn2)nnc1-c1ccccn1 1393458 LAOLZRPAZKTBIB-UHFFFAOYSA-N 309.333 1.675 0 40 DDAB CCCCN1C(=O)c2ccc(C(=O)Nc3nc[nH]n3)cc2C1=O 23143384 MEKCXUXEDZYOBZ-UHFFFAOYSA-N 313.317 1.453 0 40 DDAB CC(C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N(C)C 25451422 FXWJVZMYOKRQMI-HNNXBMFYSA-N 316.405 1.168 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C(=O)O)C1 43701430 RUDBRVUIELGVMU-BXKDBHETSA-N 313.737 1.419 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O 1795928 JYLONKSMICIFOZ-VIFPVBQESA-N 307.368 1.310 0 40 DDAB in-vitro C[C@H]1[C@@H](C)N(C(=O)[C@@H]2CCOc3ccccc32)CC[S@]1=O 108082925 MXUQXHCKSYZWDA-DKSTVMKVSA-N 307.415 1.921 0 40 DDAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)no1 27348972 JAFCRHMJYIZBDO-HNNXBMFYSA-N 314.345 1.095 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)o2)CC1 44893903 QODFYKFBBDEOAM-UHFFFAOYSA-N 306.771 1.087 0 40 DDAB COc1cc2[nH]c3c(=O)n(CCCO)cnc3c2cc1OC 2145852 RDCDSEMLUBDDAY-UHFFFAOYSA-N 303.318 1.277 0 40 DDAB biogenic Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](C(N)=O)c1ccccc1 58655880 VLRPRXZUBXTUGC-BMIGLBTASA-N 314.389 1.483 0 40 DDAB COc1cc(C=O)ccc1O[C@@H](C)C(=O)NCC(F)(F)F 12931043 PQBIVXOMDIMUOB-QMMMGPOBSA-N 305.252 1.954 0 40 DDAB CCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 13041949 KWWWYRWZBFTKKY-CQSZACIVSA-N 308.338 1.422 0 40 DDAB Cn1cc(CN2Cc3cncn3[C@H](COCC3CC3)C2)cn1 306130931 JSUNQQNJYWEQRM-INIZCTEOSA-N 301.394 1.600 0 40 DDAB CCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 13170739 WMGGURKWFMHSOP-LBPRGKRZSA-N 307.346 1.787 0 40 DDAB COc1ccc2c(C)nc(Nc3nc(O)c(C)c(=O)[nH]3)nc2c1 18127290 NYRHBKQYUOPXRY-UHFFFAOYSA-N 313.317 1.788 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 13680700 JKFHJPPARVRCSH-GZMMTYOYSA-N 312.372 1.069 0 40 DDAB CCCCCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4248601 MKXODPWFZWCAPU-UHFFFAOYSA-N 303.366 1.185 0 40 DDAB O=C(CN1CCOc2ccccc2C1)N1CC[C@H]2CC[C@@H](C1)N2 65462064 CPGMCJXPHKSZAF-CVEARBPZSA-N 315.417 1.234 0 40 DDAB CC(C)NC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408974529 BBJXTFMUYCQBJQ-UHFFFAOYSA-N 310.313 1.415 0 40 DDAB NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 4591736 YNRMNCOPBZOFJR-UHFFFAOYSA-N 323.308 1.020 0 40 DDAB CN1C(=O)NC(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 8974578 ZKTRBKUOIAZWEI-BZNIZROVSA-N 317.320 1.045 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccccc2)N1 4854634 LFXHVTFJXRXTIK-SWLSCSKDSA-N 313.357 1.316 0 40 DDAB C[C@@H](C(N)=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15524121 LFFKKAADPVNRLT-JTQLQIEISA-N 316.327 1.486 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCC12CC3CC(CC(C3)C1)C2 15605667 YQVPXDVMVKZUSL-UHFFFAOYSA-N 318.417 1.858 0 40 DDAB C[C@@H]1CC(=O)N(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1=O 96008412 YPMAUMIEXBHBOY-MRVPVSSYSA-N 322.727 1.955 0 40 DDAB CCNC(=O)NC(=O)CSc1nnc(NCC(C)C)s1 8250872 WRYPOPYWXSHVHF-UHFFFAOYSA-N 317.440 1.544 0 40 DDAB CCOc1ccc(CN(C)C(=O)CCNC(C)=O)cc1OC 8267270 YCSWDOWVNSLYFX-UHFFFAOYSA-N 308.378 1.579 0 40 DDAB Cc1ncsc1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 71826708 IQJFJBCCVNFJIO-NSHDSACASA-N 321.377 1.665 0 40 DDAB CC(C)C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306143315 XYOBFBDCABGYNI-ZDUSSCGKSA-N 315.435 1.085 0 40 DDAB O=C1[C@H](n2cnc3sccc3c2=O)CCN1CC(F)(F)F 89885384 ACGYYWHOOQFGKH-MRVPVSSYSA-N 317.292 1.794 0 40 DDAB Cc1ccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)cc1F 72079298 UPLDONQGMQNVDR-GFCCVEGCSA-N 315.366 1.763 0 40 DDAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(N)nc(N)n1 9740213 GLFWCPPWZZGKNU-MRVPVSSYSA-N 304.379 1.464 0 40 DDAB CCc1noc(CCCC(=O)N2CCC[C@@H](n3cncn3)C2)n1 72234934 XNGHYKCCWAZUJH-GFCCVEGCSA-N 318.381 1.410 0 40 DDAB Cc1cnn(CCNCC(=O)N[C@@H]2CCCc3ccccc32)c1 72253057 YGHJLMFJOMTXRH-QGZVFWFLSA-N 312.417 1.975 0 40 DDAB Cc1nc(C)c(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)s1 97146939 XURRHMAWFAXYAN-LLVKDONJSA-N 307.350 1.855 0 40 DDAB CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccncc2Cl)CC1 97234186 YIXUCHIXXJXTNU-FZMZJTMJSA-N 310.829 1.757 0 40 DDAB Cn1cc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)cn1 72404518 WGPNCVNPHZTOQE-UHFFFAOYSA-N 309.329 1.283 0 40 DDAB CCc1nc(C)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)s1 76052977 DDEWXIVMDLGYQL-WCQYABFASA-N 323.462 1.807 0 40 DDAB COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1 76058148 SXTYXPWKYVUKRK-WFASDCNBSA-N 312.435 1.455 0 40 DDAB CCOC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 72838925 OOCBULAVVXPUAM-GFCCVEGCSA-N 317.389 1.755 0 40 DDAB Cc1nnc([C@H](NC(=O)c2nccnc2N)c2ccccc2)n1C 95397306 RHCFCULIUKUGAO-GFCCVEGCSA-N 323.360 1.015 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC(N2CCCC2)CC1)C1CCCC1 84752740 QTUJATHHLAQEGA-KRWDZBQOSA-N 321.465 1.768 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(CCc3ccncc3)CCO2)n1 78892818 RECPFOZBJBBLRG-AWEZNQCLSA-N 301.394 1.939 0 40 DDAB O=C(O)c1ccnc(OCCOc2cc(C(=O)O)ccn2)c1 74941936 MKRKJMHWVUAOEA-UHFFFAOYSA-N 304.258 1.331 0 40 DDAB O=C1C(CS(=O)(=O)Nc2ccccc2)=NC(=O)n2cccc21 32611915 FFQNLJPCLXTDGK-UHFFFAOYSA-N 317.326 1.535 0 40 DDAB CC(C)C[C@@H](C)OC(=O)NC1CCN(c2nnnn2C)CC1 521394707 CSUVDPLDCOGBTF-LLVKDONJSA-N 310.402 1.340 0 40 DDAB Cc1nc(C)c(C(=O)NCCOc2ccc(C(=O)O)cc2)o1 539683433 LUSMXHNKFPXFLC-UHFFFAOYSA-N 304.302 1.798 0 40 DDAB Cc1ccc(-c2cnn3c(C)c(S(C)(=O)=O)nnc23)cc1 1548338248 QMRJDPZKSIXDME-UHFFFAOYSA-N 302.359 1.812 0 40 DDAB CCc1nccn1-c1cncc([C@H]2CCCN(CCO)C2)n1 72355525 NZXIRLDXOANROH-ZDUSSCGKSA-N 301.394 1.396 0 40 DDAB c1ccc(CN2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@H]3C2)cc1 359906224 UMASUPRNGKJOMS-HUUCEWRRSA-N 320.400 1.921 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 71282942 IIPLLTFRYQHRGG-QWHCGFSZSA-N 314.345 1.622 0 40 DDAB N[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218039535 DKOHDDYWXPLZEM-IJEWVQPXSA-N 317.366 1.408 0 40 DDAB Cc1nc(NCCn2nccc2C)cc([C@@H]2CNCCO2)n1 72387877 DHQSHMTVVYUZBD-AWEZNQCLSA-N 302.382 1.063 0 40 DDAB O=C(O)c1nn(-c2ccccc2F)c2c1CS(=O)(=O)CC2 70453440 ANGIKNXQAZFHDK-UHFFFAOYSA-N 310.306 1.181 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 47465723 ONDKNMZBLJXZSE-HNNXBMFYSA-N 306.406 1.601 0 40 DDAB COc1cc(S(=O)(=O)N(C)CCn2cccn2)ccc1F 190645525 VWQNGLJUABZPPB-UHFFFAOYSA-N 313.354 1.352 0 40 DDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](N)c3ccccc3)[C@@H]2C1 195554829 DYHYNHMNIUWZFW-WCVJEAGWSA-N 304.390 1.481 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ccccc2O)cc1C(=O)O 226856774 VVFVQGQBAZPQNN-UHFFFAOYSA-N 323.326 1.900 0 40 DDAB Cc1cc(S(=O)(=O)NC2CCCC2)ccc1OCC(N)=O 226687826 DOVDHNOCKIOSFB-UHFFFAOYSA-N 312.391 1.080 0 40 DDAB CC[C@H](NC(=O)c1ccn(-c2ccc(F)cc2C)n1)C(=O)O 190910026 KFVFOLLSPHLORD-NSHDSACASA-N 305.309 1.913 0 40 DDAB CCS[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 195571200 LBMNJVQDOVETMV-ZIAGYGMSSA-N 300.468 1.936 0 40 DDAB COCCC(=O)N1CCc2nc(N3CCCC3)nc(C)c2C1 96253844 CWCYQCUNYJPFEY-UHFFFAOYSA-N 304.394 1.306 0 40 DDAB Cn1cc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cn1 96048552 GMTRBYDZPCYKBM-HOTGVXAUSA-N 301.394 1.613 0 40 DDAB CC[C@@](Br)([C@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521489 NLMLSJXPDDBTOS-MNOVXSKESA-N 322.224 1.848 0 40 DDAB COc1cccc(CCC(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)c1 96403405 ZUDAOKXETBKFSM-CQSZACIVSA-N 316.357 1.874 0 40 DDAB C[C@@](Br)([C@@H](O)c1cccc(N)c1)S(C)(=O)=O 96521244 HHFWHOCCXKZBSF-UWVGGRQHSA-N 308.197 1.458 0 40 DDAB CS(=O)(=O)c1ccccc1[S@](=O)C[C@@H]1CCCCO1 96452451 VXQBCSAZVHRLOS-VOJFVSQTSA-N 302.417 1.767 0 40 DDAB Cc1cc(=O)c(C(=O)Nc2cccc(-n3cnnc3C)c2)c[nH]1 96487298 ZVVSERICTQXUCE-UHFFFAOYSA-N 309.329 1.825 0 40 DDAB Cc1cc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)ccn1 96405759 IPWFIMWTVYOYIR-UHFFFAOYSA-N 316.346 1.167 0 40 DDAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncn1)C2 96039418 BBLBERXIMHMVAO-ZBFHGGJFSA-N 305.378 1.524 0 40 DDAB O=C(c1ccncc1)N1CC[C@H]2[C@H]1CCN2c1nncs1 96055868 MCQPLXNYJKTKRT-NEPJUHHUSA-N 301.375 1.427 0 40 DDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)c2occc2C)C3)n1 96110043 JGSIOAOLPWAELC-IAQYHMDHSA-N 303.318 1.320 0 40 DDAB CN1CC[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96201949 SRMVPEDWLYGBLQ-GOSISDBHSA-N 313.401 1.962 0 40 DDAB O=C([C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCCO1 97953540 LQMCHGFKEMXPCO-OAGGEKHMSA-N 320.389 1.528 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96093653 HXKBFPRMRZIVQT-INIZCTEOSA-N 319.409 1.077 0 40 DDAB O=C(C[C@]12COC[C@H]1CN(Cc1cccnc1)C2)N1CCCO1 96206781 KLFRDVXETVEOJJ-WBVHZDCISA-N 317.389 1.084 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O 245287243 BQSMUFXGLRLKIO-RQJABVFESA-N 318.483 1.529 0 40 DDAB COc1ccc(CNC(=O)C(=O)NCc2cccc(C)c2)cc1 242820535 FKOLQTWIVZIGEL-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB Cc1cn(C)c([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257307541 SZDNCGPWUTYHEX-ZDUSSCGKSA-N 313.423 1.374 0 40 DDAB O=C(/C=C/c1cccs1)N1CC[C@](O)(CN2CCOCC2)C1 257277852 NZTRGKNKTOWALB-CWDCEQMOSA-N 322.430 1.057 0 40 DDAB CS(=O)(=O)N1CCC2(CC[C@@H](Cc3ccccn3)OC2)CC1 257325879 WUVWAAPQVFNPJR-HNNXBMFYSA-N 324.446 1.845 0 40 DDAB Cc1cnc(C2(C)CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)s1 257223027 DVOMNKXFJMIYGB-LBPRGKRZSA-N 321.446 1.810 0 40 DDAB Cc1ncncc1C(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257312472 UOCFUWDWOIQCAG-BZUAXINKSA-N 318.421 1.235 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CCC2(CC1)OCCC[C@H]2O 257303579 SHUDQNCJSCPJTQ-CQSZACIVSA-N 317.389 1.500 0 40 DDAB Cc1nccc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 257316944 VHRGHSSDSPYCAY-HZPDHXFCSA-N 324.384 1.401 0 40 DDAB O=C(O)c1ccc(CNc2cc(N3CCOCC3)ncn2)cc1 262114634 KXFUMCPOPADGCT-UHFFFAOYSA-N 314.345 1.624 0 40 DDAB O=C(N[C@H]1C=CS(=O)(=O)C1)Oc1ccc(-n2cccc2)cc1 575423951 HOEWQALOHLZUFD-LBPRGKRZSA-N 318.354 1.876 0 40 DDAB CCOCc1nnc2n1CCN(CC1=CCCOC1)[C@@H](C)C2 585098183 QXJCSWWWAMNQMN-ZDUSSCGKSA-N 306.410 1.408 0 40 DDAB Cc1ccc(C)n1-c1nc(CC(=O)O[C@H](C)C(N)=O)cs1 51345543 TVPCYFYUCIPLSM-SNVBAGLBSA-N 307.375 1.510 0 40 DDAB CCNC1=NC(CN2CCOCC2)=N[C@H]2SC(C)=C(C)[C@H]12 70503723 AKSLLHLCAPHFJU-HIFRSBDPSA-N 308.451 1.722 0 40 DDAB NC(=O)[C@@H]1CCC[C@H](NC2CCN(c3nccs3)CC2)C1 90460927 VPEWEHMQWSIWFZ-YPMHNXCESA-N 308.451 1.746 0 40 DDAB O=C(O)CS[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1 5589805 VOBMLRGFTDUGFS-WDEREUQCSA-N 301.389 1.082 0 40 DDAB CCC(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 11738397 XHHZLEYOPIINOG-UHFFFAOYSA-N 303.337 1.966 0 40 DDAB O=Cc1c(NCCCN2CCCC2=O)c2ccccc2[nH]c1=O 13997015 KITXEEDPQOWKDR-UHFFFAOYSA-N 313.357 1.765 0 40 DDAB CC(C)(S[C@H]1CC(=O)N(c2ccccc2)C1=O)[C@@H](N)C(=O)O 19927517 FXNGREPNYOKNAY-JQWIXIFHSA-N 322.386 1.242 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](n2ccnn2)C1 206932200 ZEMYCYWMNGRGHH-GFCCVEGCSA-N 300.318 1.023 0 40 DDAB O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1C[C@@H]1C1CCCCC1 548017581 WDOJPHQUHSGLEP-RBSFLKMASA-N 302.422 2.572 0 40 DDAB Cc1cccc(OC[C@@H]2CCCN(Cc3nncn3C)C2)n1 1848567399 JSLBYIQWXXDBHJ-CQSZACIVSA-N 301.394 1.810 0 40 DDAB O=C(NCc1ccc(F)cc1)NC1CN(c2cnccn2)C1 1185489117 ATGRBXMGVZUPEX-UHFFFAOYSA-N 301.325 1.304 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@]12CCN(C(=O)C1CC(F)(F)C1)C2 1565543440 CZRFCXNTPSMDAB-SWLSCSKDSA-N 312.360 1.939 0 40 DDAB CC(C)NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)CCc1cncnc1 1565549166 NBVVLHJBXOLJCS-DZKIICNBSA-N 316.405 1.313 0 40 DDAB O=C(NC(=O)c1c(F)cccc1F)O[C@@H]1CCS(=O)(=O)C1 4580525 PIAMTCVJDYXETC-SSDOTTSWSA-N 319.285 1.018 0 40 DDAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1 5242038 KWODESGADOVKEH-UHFFFAOYSA-N 322.375 1.439 0 40 DDAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCCC3)cn2)cc1 13807109 GWRTVHALFJYXGJ-UHFFFAOYSA-N 313.357 1.541 0 40 DDAB O=C(c1cccc2ccccc12)N1CC(CN2C(=O)COC2=O)C1 575615312 DCKIAEQJZHRCIO-UHFFFAOYSA-N 324.336 1.891 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCc3nc4ncccc4cc3C2)C1 2298047904 FJPFTHLFCKLSPX-CQSZACIVSA-N 310.401 1.856 0 40 DDAB Nc1nnc(SCC(=O)CSc2nnc(N)s2)s1 8427398 OBKGZAGGXTVDQI-UHFFFAOYSA-N 320.450 1.008 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(C)C)C2)n(-c2cccnc2)n1 2332241682 VKDYYVZOZYRZLN-NUEKZKHPSA-N 315.421 1.966 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cccs3)CC2)n1 7507 KWJFGMKXERKQAL-UHFFFAOYSA-N 304.375 1.509 0 40 DDAB Nc1nc(Cl)cc(N2CCN(C(=O)N3CCCCC3)CC2)n1 40497787 QWWUGLSITLFIEP-UHFFFAOYSA-N 324.816 1.440 0 40 DDAB CC(C)(C)c1nc(CSc2nnnn2C[C@H]2CCCO2)no1 40496880 IBJJYRLGYUXEFB-SECBINFHSA-N 324.410 1.825 0 40 DDAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 172977 FABZQIVHZJJHHZ-UHFFFAOYSA-N 321.362 1.118 0 40 DDAB Cc1cc(NC(=O)CN(C[C@H]2CCCO2)C[C@H]2CCCO2)no1 40540236 AUHYXFFYDSFMCS-ZIAGYGMSSA-N 323.393 1.582 0 40 DDAB CCOC(=O)c1cccc(N)c1C(=O)OCCN(CC)CC 1581061 RLUQWWTZUPSLNC-UHFFFAOYSA-N 308.378 1.944 0 40 DDAB CCN(CC)C(=O)c1cc(C(=O)NC2CCCCC2)n(C)n1 20606138 WCOTVWYZTGJSOD-UHFFFAOYSA-N 306.410 1.965 0 40 DDAB CC(C)(CCS(C)(=O)=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 101365767 GNMVVEPQFZELFG-VXGBXAGGSA-N 316.467 1.745 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101705016 SRJUFPDHMIKWRJ-YDHLFZDLSA-N 313.401 1.451 0 40 DDAB CCc1ccc([C@H](C)NC(=O)CN2CCN(C(C)=O)CC2)cc1 36869678 SJWNLGDAVPCSOG-AWEZNQCLSA-N 317.433 1.590 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@H](C)c2nnc3n2CCC3)c1 89913812 IXPZVXUEPWNACD-SNVBAGLBSA-N 316.361 1.733 0 40 DDAB CCN1C[C@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O 46177757 FPZBGNVMXNGHOK-CYBMUJFWSA-N 310.357 1.951 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2occc2C)c2ccccc2O1 21669514 BFXROVLMQRQPPQ-CYBMUJFWSA-N 300.314 1.742 0 40 DDAB CCCCCCN(CCO)Cc1nc(O)c2cnn(C)c2n1 52828316 UGWHXUWSJXGRET-UHFFFAOYSA-N 307.398 1.444 0 40 DDAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc3c(c2)CCC3)CC1 37191912 RMDWCSLPIXWBJM-CYBMUJFWSA-N 315.417 1.666 0 40 DDAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N(C)C)nc1 22421305 SAFPANZKTLVUFZ-SNVBAGLBSA-N 318.402 1.966 0 40 DDAB c1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1 8079498 VMEBZSCYIYJKEP-UHFFFAOYSA-N 322.357 1.789 0 40 DDAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(F)cc1 879040 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108144935 GJKMBAKKZPYBFM-HOCLYGCPSA-N 314.389 1.317 0 40 DDAB COCCNC(=O)N1CCC(C(=O)Nc2cccc(C)n2)CC1 57412005 XBNISTQNOJTMGP-UHFFFAOYSA-N 320.393 1.397 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(Cc3ccno3)C2)C1=O 89869803 WXLFNFUNEMPEAZ-BLLLJJGKSA-N 320.393 1.606 0 40 DDAB C[C@@H]1COCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 26846701 XIVLRHWHPZTDCH-GFCCVEGCSA-N 324.402 1.223 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N1CCCC2(C1)OCCO2 89807017 AKSHFAIHEAKXTO-UHFFFAOYSA-N 320.345 1.464 0 40 DDAB N[C@H](CC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 119111837 BTKKOCTWXYQFPU-JKSUJKDBSA-N 315.417 1.690 0 40 DDAB Cc1ccsc1C(=O)NCCC(=O)NCc1cccnc1 58200936 HRBISTXBLAOOKY-UHFFFAOYSA-N 303.387 1.888 0 40 DDAB COC(=O)CSc1nc(-c2ccc(OC)cc2OC)n[nH]1 58217693 MCCVJRKRXYNIIU-UHFFFAOYSA-N 309.347 1.754 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1cc[nH]n1 58264597 FFNCITJODMXNIF-GFCCVEGCSA-N 308.382 1.816 0 40 DDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)N1CCOCC1 12514373 NRZPYPROHDZVGC-QWRGUYRKSA-N 319.361 1.065 0 40 DDAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1F 44936298 XLARYDJEYBSXFS-RKDXNWHRSA-N 303.355 1.445 0 40 DDAB CCN(CC(=O)NC)C(=O)c1cnn(-c2ccccc2Cl)c1 58341814 RZVKVHAILQPGDJ-UHFFFAOYSA-N 320.780 1.734 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(F)cc1 58357980 LSSWFCWBRKQFAC-LBPRGKRZSA-N 308.353 1.441 0 40 DDAB COc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1OC 27934446 VGRTVWOKGPFIDV-UHFFFAOYSA-N 322.386 1.886 0 40 DDAB Cc1nc(CN2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cs1 45055058 TWXPFEGEBMBGIX-LBPRGKRZSA-N 319.434 1.553 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1cccc(F)c1 28077393 QLAGAHNIGJXKHY-UHFFFAOYSA-N 315.304 1.936 0 40 DDAB O=S(=O)(NC1CCCCC1)c1ccc(N2CCNCC2)cc1 20397965 VLYMRMYOLJPOBD-UHFFFAOYSA-N 323.462 1.707 0 40 DDAB Cc1ccc(-c2noc(CN3CC[C@H](C(N)=O)C3)n2)cc1F 48035519 FUAZIPIZPACOLV-NSHDSACASA-N 304.325 1.491 0 40 DDAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c1 3313595 CXVYAIKQMXBUOI-UHFFFAOYSA-N 300.314 1.732 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2C3CCC2CC3)c1 12799457 GEQAIKIUCGXIAC-UHFFFAOYSA-N 308.403 1.704 0 40 DDAB CN(Cc1ccco1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 48273554 SFAGBXJPCVITHM-HNNXBMFYSA-N 309.387 1.849 0 40 DDAB NC(=O)c1cccc(NC(=O)CSc2nncn2C2CC2)c1 12884146 SGGGUUGUHHMYSN-UHFFFAOYSA-N 317.374 1.443 0 40 DDAB COC(=O)c1ccc2c(=O)[nH]c(COCC(F)(F)F)nc2c1 12810023 YQZBVPUDSXDCLS-UHFFFAOYSA-N 316.235 1.789 0 40 DDAB Cc1nc(-c2ccc(S(=O)(=O)NCCCN)s2)cs1 3466964 YQPLETYMAZQNNI-UHFFFAOYSA-N 317.461 1.807 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2Cc2nnnn2C2CC2)n1 70005326 HKXGSSQQZWFVIX-CQSZACIVSA-N 301.398 1.486 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N1CCCN2CCC[C@H]2C1 69777241 UPSKKKDILIJOKK-AWEZNQCLSA-N 317.389 1.795 0 40 DDAB Cc1c(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1C 13297531 JMFDRMRAMAAHCU-SNVBAGLBSA-N 312.329 1.883 0 40 DDAB O=C(Nc1ccc(F)cc1)C1CCN([C@@H]2CCOC2=O)CC1 69351026 VBHOFOBYFNYPGS-CQSZACIVSA-N 306.337 1.792 0 40 DDAB Cn1ccnc1CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 69443510 YLVKVVKOFRZXTD-INIZCTEOSA-N 318.396 1.410 0 40 DDAB Cc1ccccc1CS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C 69418536 DMFLSNMDHUJTBK-AWEZNQCLSA-N 310.419 1.377 0 40 DDAB Cc1cc(C)cc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c1 4385174 FEAOSBQXPCAYJG-ZBFHGGJFSA-N 316.401 1.952 0 40 DDAB CCOC(=O)c1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1 20616131 FEMFTTZOIZSGRH-UHFFFAOYSA-N 317.301 1.547 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2ccnc2)cc1C 65410768 JZVQDDRDQADXOF-ZDUSSCGKSA-N 323.418 1.957 0 40 DDAB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)[nH]c1=O 14136266 BAESWJYCGCVTLZ-LLVKDONJSA-N 319.386 1.134 0 40 DDAB Cn1cc(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)cn1 69527777 WXZJTVQQKWIGNF-UHFFFAOYSA-N 318.358 1.015 0 40 DDAB CC(C)(NCC(=O)NCC1CC1)c1ccc2c(c1)OCCO2 69508803 GPLNPBGTDAPORS-UHFFFAOYSA-N 304.390 1.809 0 40 DDAB COCCN1CCN(Cc2cccc(C(=O)N(C)C)c2)C[C@H]1C 69948643 YZNOBCJLPZQCRQ-OAHLLOKOSA-N 319.449 1.541 0 40 DDAB CC1(NC(=O)NCCCS(C)(=O)=O)Cc2ccccc2C1 92242706 ISZFHCUKBAFERB-UHFFFAOYSA-N 310.419 1.278 0 40 DDAB Cc1ccccc1-c1noc(COC(=O)C2=COCCO2)n1 7655219 FVAYRSLQELAEJW-UHFFFAOYSA-N 302.286 1.976 0 40 DDAB Cc1noc(C)c1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 9336450 NKZPOQMHBDMKGA-AWEZNQCLSA-N 315.329 1.113 0 40 DDAB CN(CCn1cncn1)C[C@@H](c1cccs1)N1CCOCC1 75603891 YHSNQSZCPUJESB-AWEZNQCLSA-N 321.450 1.345 0 40 DDAB C[C@H](O)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 71662047 IQURYYGMKKZROY-QMMMGPOBSA-N 307.300 1.620 0 40 DDAB Cc1n[nH]cc1CNC[C@@H]1CN(Cc2ccccc2)CCO1 71819517 ZOWHESMMVBAPCV-QGZVFWFLSA-N 300.406 1.709 0 40 DDAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCSCC1 71856946 VMLNDUYJHUXMFW-JTQLQIEISA-N 318.402 1.257 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 71836800 KLYNIIMJKOZRFB-CYBMUJFWSA-N 307.394 1.347 0 40 DDAB CCn1ncc2c1CCC[C@H]2N[C@H](C)C(=O)NCC(F)(F)F 72299763 LTZATHKFLSTRFA-MWLCHTKSSA-N 318.343 1.937 0 40 DDAB Cc1ccc(O)c(S(=O)(=O)Nc2c(C)cccc2C(N)=O)c1 78698599 RQRZFTNACDGLMT-UHFFFAOYSA-N 320.370 1.909 0 40 DDAB CCn1nc(C)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1C 72269445 ABOJEAYMJLWFNC-GJZGRUSLSA-N 320.437 1.191 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)COc2cc(C)on2)no1 72299175 SDVORXFWPHHEOQ-JTQLQIEISA-N 306.322 1.671 0 40 DDAB COC(=O)[C@H](c1ccc(Br)cc1)N(C)CC(N)=O 72287549 NQFUUWHIJQIBQJ-NSHDSACASA-N 315.167 1.080 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)n1 72279964 RQWLREHNKBSOJN-LSDHHAIUSA-N 318.421 1.407 0 40 DDAB COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)on1 97141921 DEILFULFLYSVKT-DOMZBBRYSA-N 319.336 1.998 0 40 DDAB C[S@](=O)c1nncn1CC(=O)c1cccc(C(F)(F)F)c1 78989625 YNHFOQRWZITXQK-OAQYLSRUSA-N 317.292 1.917 0 40 DDAB O=C(c1ccc2[nH]cnc2n1)N(CCO)CCc1ccccc1 97374922 CMLHGSQXTOASHG-UHFFFAOYSA-N 310.357 1.635 0 40 DDAB COCCn1cc(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cn1 79096531 YSJHDJOMSBFLTH-FZMZJTMJSA-N 307.398 1.134 0 40 DDAB CCCn1nc(C(=O)Nc2ccc(C(=O)O)cc2O)ccc1=O 95351899 CTWLFCIAFVVSTP-UHFFFAOYSA-N 317.301 1.309 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccccn1 27976179 UTWCLEARYNPPCH-LBPRGKRZSA-N 324.344 1.141 0 40 DDAB NC(=O)[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1 95426059 VDPPBNHPPAZFEI-SQWLQELKSA-N 306.431 1.857 0 40 DDAB CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccn(C)c1 95445881 MHBHHIFAHZMEQY-UHFFFAOYSA-N 301.390 1.935 0 40 DDAB CCOCCN(C[C@@H](C)C(=O)O)C(=O)CCOCC(C)C 95424518 QKGABIFAVSHENE-CYBMUJFWSA-N 303.399 1.635 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)Cc1sc(S)nc1C 85355315 AMCWYXPSVMHVLJ-UHFFFAOYSA-N 309.416 1.929 0 40 DDAB CS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471736 PQCRZNVGKKUWJE-UHFFFAOYSA-N 324.324 1.903 0 40 DDAB COC(=O)c1cc(CN2CCN(c3ccccc3O)CC2)c[nH]1 95982263 XHYGFWNEMYTFPC-UHFFFAOYSA-N 315.373 1.829 0 40 DDAB Cc1nc(N2CCCC2)ccc1NC1CCN(C(N)=O)CC1 95988502 ARJDXBIUIBTZMR-UHFFFAOYSA-N 303.410 1.945 0 40 DDAB CN(C)CCC1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 95939433 YRFUPKBSDXBAAF-AWEZNQCLSA-N 304.456 1.159 0 40 DDAB COc1cccc(N2CCN([C@H](C)c3nnnn3C)CC2)c1 188597911 DVWZAXXXIVVSTB-GFCCVEGCSA-N 302.382 1.102 0 40 DDAB Cc1n[nH]cc1CNC(=O)CC1(Cn2cnnn2)CCCCC1 524732688 IRSHUPAQWDOHRH-UHFFFAOYSA-N 317.397 1.362 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)N1CCC[C@H]1COc1ccccc1 79097854 JSLVMBCUIOCRKJ-ZDUSSCGKSA-N 321.402 1.950 0 40 DDAB Cc1nnc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)o1 78655942 PESOTORSCXQFRL-NSHDSACASA-N 324.381 1.784 0 40 DDAB Cc1csc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c1 556702499 WPALSNCAKGVSTE-UWVGGRQHSA-N 319.404 1.215 0 40 DDAB C[C@@]1(CNC(=O)c2cncc(C3CCNCC3)n2)CCCO1 72365723 TUROHQADRGYFOG-INIZCTEOSA-N 304.394 1.243 0 40 DDAB Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)s1 557095811 VZRJAUTWLFRULD-MNOVXSKESA-N 314.432 1.641 0 40 DDAB CC[C@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O 74364731 IXIOPBVLKHMEGJ-ASSNKEHSSA-N 308.403 1.764 0 40 DDAB Cc1cc(=O)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(N)n1 49410996 IREYFAVSJOIQNG-UHFFFAOYSA-N 324.743 1.243 0 40 DDAB O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)C1CCOCC1 71792356 NWMBTDLUCPZJCQ-MRXNPFEDSA-N 316.401 1.834 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(O)=Nc3nncn32)cc1 49547276 QPUGTIZOVJAAEM-NSHDSACASA-N 314.305 1.408 0 40 DDAB CCOC(=O)c1cnc(NC(=S)NC[C@@H]2CCCO2)nc1C 225196857 AWXQOJQTUARFTR-JTQLQIEISA-N 324.406 1.427 0 40 DDAB CC(C)Cc1nnc(NC(=O)N[C@H]2CCS(=O)(=O)C2)s1 48474227 MFWAXDAGQTXSHI-QMMMGPOBSA-N 318.424 1.045 0 40 DDAB COC(CN1CCN(C(=O)c2cc(C)cc(C)c2)CC1)OC 225449273 YTOBMTHRCZVNQC-UHFFFAOYSA-N 306.406 1.680 0 40 DDAB C[C@@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)O 195551933 OQCOILCKCUVVEG-NSHDSACASA-N 301.346 1.748 0 40 DDAB NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058311 XCXIPDKISYMILT-ZARQTOOBSA-N 306.406 1.040 0 40 DDAB CCOc1cc(Cl)ccc1CNC(=O)[C@@H]1CC(=O)N(C)C1 96483767 VEVXVFWLXFROFD-LLVKDONJSA-N 310.781 1.833 0 40 DDAB CN(C)c1cc(CNS(=O)(=O)N(C)C)c2ccccc2n1 96436458 WGLJMCGAUKFINH-UHFFFAOYSA-N 308.407 1.197 0 40 DDAB CCCC[C@H](C(=O)OC)N1CCN(Cc2nc(C)no2)CC1 96415687 VEJFSODWSYIZOE-CYBMUJFWSA-N 310.398 1.227 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@@H]2C1 96058433 PUTLHEDNOMOLJZ-CVEARBPZSA-N 308.447 1.684 0 40 DDAB COCCc1nnc(SCc2c(C)nn(C)c2Cl)n1N 96430392 QLDHBVRWQFLOSG-UHFFFAOYSA-N 316.818 1.168 0 40 DDAB CN(C)C(=O)CN1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 96200558 GAHHRIVPNKUDOQ-IRXDYDNUSA-N 317.433 1.582 0 40 DDAB CC(C)CN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]21 96080558 QQDAVTJBWPPYGP-CVEARBPZSA-N 308.447 1.788 0 40 DDAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 97953355 XYEHFCLTSUNXGO-GDBMZVCRSA-N 321.446 1.711 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC2(CC(OC)(OC)C2)C1 96528016 UKEBCJZACKCVFL-UHFFFAOYSA-N 300.351 1.662 0 40 DDAB Cc1cccc(N2CCC(NC(=O)c3ccc[nH]c3=O)CC2)n1 96408603 FFVGTTYOKNTXJR-UHFFFAOYSA-N 312.373 1.477 0 40 DDAB CC(C)N1CCc2ncn(C)c2[C@H]1C(=O)NCc1ccncc1 96264926 PSMSKPBNJIAIGR-INIZCTEOSA-N 313.405 1.439 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96048970 FQCHDNJCKWUIRU-UHFFFAOYSA-N 318.421 1.430 0 40 DDAB COc1cc(N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)ncn1 96216109 CVGOJKKEGUIKQK-QJPTWQEYSA-N 317.349 1.013 0 40 DDAB CN(C)C(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96202231 SRJHWLQIJZQBEE-HNNXBMFYSA-N 324.450 1.349 0 40 DDAB Fc1ccccc1CN1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 247491910 BRTWWPGAMYLWBZ-NXHRZFHOSA-N 320.408 1.890 0 40 DDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1scnc1C)C2 248015974 HOJIHRSKXPZBKY-NSHDSACASA-N 316.448 1.087 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3cscn3)CCO2)ncn1 257211889 CAYMDRDDGWTIAL-ZDUSSCGKSA-N 318.402 1.715 0 40 DDAB COCCN1C(=O)CO[C@H]2CN(Cc3ccccc3Cl)C[C@@H]21 257228248 FTBSTOVNTFEJAJ-GJZGRUSLSA-N 324.808 1.398 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)n1 257310372 UEVFWMYVVQYCIB-GFCCVEGCSA-N 308.345 1.457 0 40 DDAB O=C(NCc1cnn(CC(F)(F)F)c1)c1ccc(F)cn1 543157033 YQYCHANNEIEUEF-UHFFFAOYSA-N 302.231 1.910 0 40 DDAB CN1CCC[C@H](NC(=O)c2ccccc2-n2cnc(CN)c2)C1 257319273 VRPYWDXRJRMEOJ-ZDUSSCGKSA-N 313.405 1.155 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnc(C)cn2)C[C@H]1c1ccccc1 257342602 ZPKRAMVLBDWTRV-KRWDZBQOSA-N 324.384 1.831 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(Cc2nccs2)C1 257257033 KNVSBMHEACEBDV-SECBINFHSA-N 312.420 1.259 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257329021 XIBGICIXFHWNEK-LBPRGKRZSA-N 323.422 1.030 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2nccn2C)n1 257232826 GMORKBQZEJJLFY-CQSZACIVSA-N 314.393 1.183 0 40 DDAB CCc1occc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1 263544282 SIYMATUNDLJSGD-NSHDSACASA-N 322.361 1.237 0 40 DDAB Cc1cccc2nc(C(=O)N3CC[C@@]4(CCCO4)C(=O)C3)cn12 585288434 AFHGAUMLMDKSQX-KRWDZBQOSA-N 313.357 1.607 0 40 DDAB O=C(Cc1cnc[nH]1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 585275452 CIPFCRVYVVYLRX-CZUORRHYSA-N 317.364 1.543 0 40 DDAB O=C(c1cc(C2CC2)on1)N1Cc2ccnn2CC[C@@H]1CO 585097315 KBBWFKPGSNKKLQ-GFCCVEGCSA-N 302.334 1.156 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccccn2)cc1 45707902 KJRTZABQIUIXDQ-UHFFFAOYSA-N 320.374 1.311 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2ccccc2C1 69537915 XJOXICAJUXNUFX-HUUCEWRRSA-N 318.442 1.972 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H](C)COCc2ccccc2)CC1 69967842 YYWYSUQNISEXFS-CVEARBPZSA-N 320.433 1.364 0 40 DDAB O=C(CCN1CCC[C@@H]1Cn1cncn1)NC1CCCCC1 72268123 SRILEOKRMIQPPX-OAHLLOKOSA-N 305.426 1.582 0 40 DDAB CO[C@@]1(CNC(=O)c2ccc3nsnc3c2)CCSC1 96097588 NKMWLYKIFVTRBU-CYBMUJFWSA-N 309.416 1.943 0 40 DDAB COc1ccc(Br)cc1/C=C(/C#N)C(=O)NC(N)=O 8159597 WWZDLHLNAAHFOM-YWEYNIOJSA-N 324.134 1.560 0 40 DDAB CC(C)CSC(SCC(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO 5066661 VQNFWPLZQHASHJ-WOPDTQHZSA-N 312.497 1.166 0 40 DDAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NCc1ccco1 12697699 AGUOKTCOMUSUOM-FUNVUKJBSA-N 319.357 1.834 0 40 DDAB CCN(CC)C(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 13125213 SYCLJVQVALICGD-AWEZNQCLSA-N 312.377 1.830 0 40 DDAB O=C(NCc1nc(-c2cccnc2)n[nH]1)NC1CCCCC1 13565294 VCOLGTOSMUIBHJ-UHFFFAOYSA-N 300.366 1.999 0 40 DDAB Cc1cc(F)ccc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 16962238 KDFWMZIMSNBQDG-GFCCVEGCSA-N 300.355 1.497 0 40 DDAB OCCN1CCN(CCc2c3c(cc4c2CCC4)CCC3)CC1 19802253 LHOSHLYHYIOZMG-UHFFFAOYSA-N 314.473 1.816 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)no1 225446148 AVKFTKHIKRSCGP-LLVKDONJSA-N 317.349 1.133 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CN(Cc1cccn1-c1cccnc1)CC2 12222731 OBZOQDPRBPUXMT-UHFFFAOYSA-N 321.384 1.822 0 40 DDAB O=S(=O)(NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1 575607456 NIOPIYCBIWRRBG-HNNXBMFYSA-N 324.446 1.466 0 40 DDAB Cc1nc2ncnn2c(N2C[C@H]3CCCC[C@@]3(CO)C2)c1C 1888853170 IPCURGKYZLGHPU-CJNGLKHVSA-N 301.394 1.730 0 40 DDAB Cc1cc(N2CC[C@H](COc3ccccn3)C2)n2ncnc2n1 1888931021 AZGURKXOGDNPRQ-ZDUSSCGKSA-N 310.361 1.733 0 40 DDAB CCN=c1cc(C)nc(N2CCN(c3nccnc3C)CC2)[nH]1 1889090991 VQKZMQSMLGUUHC-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB CCn1cc(Br)c(C(=O)NCc2ccccn2)n1 27971316 QYAXLZCPLBQZEO-UHFFFAOYSA-N 309.167 1.991 0 40 DDAB CCCCSc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C 4139046 ROHOVPKONYOKJQ-UHFFFAOYSA-N 320.418 1.797 0 40 DDAB CCCCOCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 15081069 JQSZPQVWXMZUMO-UHFFFAOYSA-N 322.390 1.263 0 40 DDAB O=C(Cc1cccs1)NC1CCN(c2cnsn2)CC1 585148806 JRMIPBPRQSQVLI-UHFFFAOYSA-N 308.432 1.927 0 40 DDAB Cc1[nH]c(=O)c(C(=O)Nc2ccccc2C(N)=O)c(O)c1C 207011387 LLEXZEIHTPAWJI-UHFFFAOYSA-N 301.302 1.049 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1ccccc1C(N)=O 585149882 WUZPVQZOWWPGMX-JQWIXIFHSA-N 303.362 1.132 0 40 DDAB COc1cccc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 2298092170 ILFTVZLGKMDALN-UHFFFAOYSA-N 311.349 1.083 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 31125404 DPFWVKYEWJRDCC-WFASDCNBSA-N 316.357 1.949 0 40 DDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2COCCO2)cc1 30597834 WZDUBRNGZFLNJC-GWOGKKTRSA-N 312.369 1.688 0 40 DDAB NC1=NC(=O)C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)S1 169799 MVEOTIAQJIYAKK-MRVPVSSYSA-N 317.292 1.991 0 40 DDAB Cc1cc(C)n(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 40474073 LHTFTPVOLWLSOD-CQSZACIVSA-N 315.373 1.798 0 40 DDAB CC(C)(C)c1nc(Cn2nnn(-c3ccccc3)c2=O)no1 31765534 UFVDEUYGLFZBIR-UHFFFAOYSA-N 300.322 1.158 0 40 DDAB O=C1c2ccccc2[C@](O)(C(=O)O)[C@@]1(O)CC=C(Cl)Cl 1570271 OOVCCRDLVFBHOI-OLZOCXBDSA-N 317.124 1.595 0 40 DDAB CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O 2559959 ZBRYNVRGKDKHJB-GUBZILKMSA-N 302.371 1.515 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)N1CCSCC1 45967895 MTBSZJFGOCVLLF-UHFFFAOYSA-N 322.434 1.177 0 40 DDAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)NC(N)=O 51528657 ICQXGNGWDXXQQC-JTQLQIEISA-N 306.366 1.068 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)NC2CC2)CC1 89775011 ORGUDDJQETTWDH-UHFFFAOYSA-N 319.380 1.775 0 40 DDAB CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 4763432 LCJOVPVEQHMTHB-ONERCXAPSA-N 316.405 1.054 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2[nH]1 6506792 RYLUVBQJBOEZDU-UHFFFAOYSA-N 320.308 1.798 0 40 DDAB C[C@H](C(=O)N1CCCCCC1)N1CCC(N2CCNC2=O)CC1 52216573 QMPWJJJUHXGUOO-CQSZACIVSA-N 322.453 1.267 0 40 DDAB O=C1[C@@H](Sc2nc3ncccn3n2)CCN1CC(F)(F)F 71910959 ISVWITDTUDPCAM-ZETCQYMHSA-N 317.296 1.380 0 40 DDAB CCOC(=O)c1cc(C(=O)NOCc2ccccc2)nn1C 2794738 YFBJXEGQISQPRS-UHFFFAOYSA-N 303.318 1.458 0 40 DDAB NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 422610 IRMQAAMXSONZIO-UHFFFAOYSA-N 311.370 1.907 0 40 DDAB O=C([C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2)N1CCCC1 107264099 XULWVXBUAKIFQZ-RCCFBDPRSA-N 314.429 1.941 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccoc3)cn2)CCO1 46718749 ITNTVGIJBJGUDF-GFCCVEGCSA-N 301.346 1.830 0 40 DDAB CN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCO2)CC1 46935046 NZCKNIIPEGBYSM-QGZVFWFLSA-N 317.433 1.229 0 40 DDAB Cc1ccc(OCCN(C)C(=O)N[C@H](C)c2nncn2C)cc1 46963760 KGXUXHFUXAIHBU-CYBMUJFWSA-N 317.393 1.905 0 40 DDAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1cccc(F)c1 47328526 PURFJUPAMBNDKX-UHFFFAOYSA-N 319.321 1.602 0 40 DDAB Cc1cc(CSc2nnc(SCC(N)=O)s2)no1 23327801 MZAYQDCEPTXIMG-UHFFFAOYSA-N 302.406 1.704 0 40 DDAB Cc1cc(=O)[nH]c(SCC(=O)NCCCc2ccccc2)n1 12555793 KSRUCPQLZGSFDQ-UHFFFAOYSA-N 317.414 1.919 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 23979713 VMKAKEASWLVILA-QMMMGPOBSA-N 305.783 1.508 0 40 DDAB O=S(=O)(Cc1ccccc1)NCCc1cn2ccccc2n1 24471796 DAMDXMJUHCWTCJ-UHFFFAOYSA-N 315.398 1.996 0 40 DDAB O=C(NCC(F)(F)F)c1ccc2c(=O)[nH]c(S)nc2c1 47933204 IJDIPPAMWUVPQU-UHFFFAOYSA-N 303.265 1.504 0 40 DDAB Cc1ccc(C(=O)[C@@H](C)c2cnc3n(C)c(=O)[nH]c(=O)n23)cc1 28527403 FEXQABWUJDFARW-JTQLQIEISA-N 312.329 1.016 0 40 DDAB CC[C@@H]1CN(CCOc2ccccc2F)CCN1C[C@H](C)O 106841053 HUNPOZIJRWGYML-LSDHHAIUSA-N 310.413 1.982 0 40 DDAB C[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)C[C@@H](C)O1 25412077 STHWLXAACJVCKD-HUUCEWRRSA-N 302.418 1.944 0 40 DDAB CC(=O)N[C@H](CC(=O)N1C[C@@H](N(C)C)[C@H](C)C1)c1cccs1 107141671 JYDCFIZVFQKLMT-MRVWCRGKSA-N 323.462 1.724 0 40 DDAB NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3295008 WQYTUWZNEYOBDV-UHFFFAOYSA-N 313.386 1.313 0 40 DDAB COc1ccc(C)cc1[C@H](O)Cn1cnc2ncccc2c1=O 58171442 ILHSARLDDBFICW-CQSZACIVSA-N 311.341 1.842 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1occc1-c1ccccc1 44873851 PIMYJRQXOZCQBS-LBPRGKRZSA-N 305.355 1.864 0 40 DDAB O=C(Cn1ncc(=O)c2ccccc21)Nc1nc2ccccc2[nH]1 44872047 WBGWPIGOTXENTA-UHFFFAOYSA-N 319.324 1.912 0 40 DDAB Cc1nc(CN2CCC[C@H](CNC(N)=O)C2)nc2ccccc12 58251543 ZPIALFKBRVEBIZ-CYBMUJFWSA-N 313.405 1.819 0 40 DDAB COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1COc2ccccc2C1 58278659 YILJBRDJDTUSDN-KGLIPLIRSA-N 320.389 1.877 0 40 DDAB Cc1ccccc1CNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 44936377 CXOSQYDCNVAUCZ-UHFFFAOYSA-N 322.386 1.782 0 40 DDAB CCCn1nc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)ccc1=O 44940228 ZZHFCHJFMGWLNW-ZIAGYGMSSA-N 320.437 1.361 0 40 DDAB CNc1snc(C)c1C(=O)NCc1nnc2ccccn12 27993592 BNNDMRZQDPNAIE-UHFFFAOYSA-N 302.363 1.466 0 40 DDAB Cc1ccc2nc(COC(=O)c3cccnc3O)cc(=O)n2c1 10660222 YFLSULUQJFVUPU-UHFFFAOYSA-N 311.297 1.461 0 40 DDAB CC(=O)c1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc1 36357680 OWGMWCUACPJFEQ-UHFFFAOYSA-N 319.324 1.939 0 40 DDAB CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2Cl)CC1 36386259 RGWJVIYDCSFRLS-GFCCVEGCSA-N 323.824 1.622 0 40 DDAB Cc1cc(COC(=O)c2cccnc2N2CCOCC2)on1 28448962 RNYWWZOOWPZESZ-UHFFFAOYSA-N 303.318 1.572 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)NC(C)C 8167033 IUKQTFYLTVKABV-UHFFFAOYSA-N 314.389 1.744 0 40 DDAB O=C(Cn1cccn1)NCc1ccc(N2CCCCCC2)nc1 48276535 FJGRKJILBKHMJF-UHFFFAOYSA-N 313.405 1.975 0 40 DDAB CS(=O)(=O)CCNCc1ccccc1OCc1ccccn1 62423126 KZIYVHLGJKUOHR-UHFFFAOYSA-N 320.414 1.795 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@@H]1Cn1cccn1 69742056 MRHJPRLFQPJMFR-OAHLLOKOSA-N 309.373 1.765 0 40 DDAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NC1CC1 3419606 MUDYYQDUCIGXGD-UHFFFAOYSA-N 323.824 1.557 0 40 DDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CCCO1 12979314 KRTAYBGNQCMFCD-GFCCVEGCSA-N 312.316 1.931 0 40 DDAB COCCNC(=O)COc1ncnc2sc3c(c12)CCCC3 3599545 GFQUENJUUKLONH-UHFFFAOYSA-N 321.402 1.712 0 40 DDAB CNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 113965404 KRKGYUVIPYRLBU-UHFFFAOYSA-N 318.826 1.941 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 69843659 AWJMZDAABCDYBM-KRWDZBQOSA-N 320.433 1.079 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(OC(C)C)s1 49422754 SVSKGUVDXOXHCQ-UHFFFAOYSA-N 318.424 1.653 0 40 DDAB COc1cccc(CS(=O)(=O)NCCc2nc(C)no2)c1 69841231 CLKVPLUXYOVEEY-UHFFFAOYSA-N 311.363 1.049 0 40 DDAB O=C(Cn1cnc2cc3c(cc21)OCCO3)NCc1ccco1 64794782 SLIXRGCKOFJXCB-UHFFFAOYSA-N 313.313 1.717 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(-c3cccnc3)on1)CC2 65563892 VWXOEMDGUGZKJQ-LBPRGKRZSA-N 324.344 1.381 0 40 DDAB CS(=O)(=O)NCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 66766055 JNQKNHSDAMXPLU-OAHLLOKOSA-N 324.446 1.722 0 40 DDAB CO[C@H](CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(C)C 80602733 CWCMZOSXGQMXHI-UONOGXRCSA-N 310.398 1.855 0 40 DDAB CCC(C)(C)NC(=O)CN1CCC(OC[C@H]2CCCO2)CC1 83414143 MLFDGKWIASXVAF-OAHLLOKOSA-N 312.454 1.951 0 40 DDAB COCCOCc1cc(C(=O)NC2CCN(C)CC2)ccc1F 96427038 WINSFCADMOSUNK-UHFFFAOYSA-N 324.396 1.813 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1cc(C)on1)CC2 89986351 YEMISXYFJKITPP-ZIAGYGMSSA-N 308.378 1.304 0 40 DDAB CC(C)c1noc(CCNC(=O)CNC(=O)c2ccccc2)n1 71890862 LKUSEOJMQUUDRR-UHFFFAOYSA-N 316.361 1.282 0 40 DDAB O=C(CCNCC(F)(F)F)N1CCC[C@@H](n2ccnc2)C1 71856834 JEYCYPCHWNUTSU-LLVKDONJSA-N 304.316 1.589 0 40 DDAB CCOc1ccccc1C(=O)NC[C@@H](C)N1CCN(C)CC1 71867489 FMZCJQSBZMKXNQ-CQSZACIVSA-N 305.422 1.451 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](n2cncn2)C1 75583628 BQDZDRNTIKUUFG-ZDUSSCGKSA-N 302.382 1.035 0 40 DDAB CN(C)S(=O)(=O)NCCc1csc(-c2ccncc2)n1 19942545 TUSZYDDVNGVUDR-UHFFFAOYSA-N 312.420 1.144 0 40 DDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)no1 72232137 ZMSCKKIZHHEDSF-NWDGAFQWSA-N 309.366 1.314 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(OC)nn2)no1 72299228 KGATWANJHKWFGE-SNVBAGLBSA-N 303.322 1.408 0 40 DDAB CN(C)c1ncc(CNC(=O)c2ccc(O)c(Cl)c2)n1C 72290887 AUIJHOUDEQKNGD-UHFFFAOYSA-N 308.769 1.775 0 40 DDAB CN(C(=O)CCS(C)(=O)=O)[C@@H]1CCCN(c2ccccc2)C1 72285484 PHDYOEDHNRLGMF-OAHLLOKOSA-N 324.446 1.549 0 40 DDAB CN1C[C@H](NC(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCC1=O 76087180 KJAOFXVTCIQGPE-HUUCEWRRSA-N 322.453 1.171 0 40 DDAB C[C@H](Nc1ccn(CC(F)(F)F)n1)C(=O)NC(=O)NC1CC1 97060015 GPTHMXWSNCPZRD-ZETCQYMHSA-N 319.287 1.234 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)[C@H]1Cc3ccccc3S1)CC2 97198936 JSGRPKIHDKGVOF-GXTWGEPZSA-N 314.414 1.735 0 40 DDAB CC(C)COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 408707467 BPFKUZYZTHFAMC-UHFFFAOYSA-N 307.394 1.338 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@@H]1COc2ccccc2O1 97159756 HTOUTLFXBGENQF-CQSZACIVSA-N 317.389 1.422 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@H](C)C(=O)OC(C)C)cc1 72300941 DQRPVXGIXVVFKE-NSHDSACASA-N 307.346 1.791 0 40 DDAB COC(=O)[C@@H](C)N1CCCN(C(=O)Oc2ccccc2)CC1 78700129 ZEHPHSYPCFZADZ-CYBMUJFWSA-N 306.362 1.755 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 78787842 JEVSSJZTYUFUPI-ZDUSSCGKSA-N 322.434 1.344 0 40 DDAB CN(OCc1ccccc1)C(=O)NCc1nnc2n1CCC2 95467188 LOWVNAOVVLUOGF-UHFFFAOYSA-N 301.350 1.498 0 40 DDAB Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)o1 78835988 SNQUQCUVCNFGOR-FTYKPCCVSA-N 305.378 1.958 0 40 DDAB Cc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)o1 98010407 APEHXHXKVBLYIG-VBROQKIQSA-N 314.345 1.256 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(CC3(O)CCCCC3)C2)n[nH]1 78900913 NUJLCXGGVXNGCT-LBPRGKRZSA-N 306.410 1.383 0 40 DDAB CC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCCCC1 95986112 IBTHGJWWKMPGLV-UHFFFAOYSA-N 321.387 1.957 0 40 DDAB C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 74914066 MUABLISTQINKAC-GFCCVEGCSA-N 322.430 1.808 0 40 DDAB Cc1cc(CC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)n[nH]1 89599148 WZAYPAIIBUVVCN-INIZCTEOSA-N 317.389 1.898 0 40 DDAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C1CC1 75109611 KBHOEUIYPZXPFV-CYBMUJFWSA-N 313.375 1.315 0 40 DDAB O=C(CCc1nc(-c2cccnc2)no1)NCc1cccnc1 64799522 ABLQYGMJANDDQV-UHFFFAOYSA-N 309.329 1.776 0 40 DDAB c1cc(N2CC[C@H](N=c3ccc4nccn4[nH]3)C2)nc(C2CC2)n1 547694160 GAEODAWFHCCPGL-ZDUSSCGKSA-N 321.388 1.509 0 40 DDAB C[C@@H]1CN(C)C[C@H](C(=O)N2CCC=C(c3ccncc3)C2)O1 527554353 YRJFWNXLJFUJRJ-CZUORRHYSA-N 301.390 1.416 0 40 DDAB Cc1cc(N2CCC(C(=O)NC(C)(C)C)CC2)n2ncnc2n1 35313377 UBOCTDXEUCLGTO-UHFFFAOYSA-N 316.409 1.564 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2cccc(Br)n2)C1 72344471 QWPQOXOZIAOBEX-JTQLQIEISA-N 313.195 1.882 0 40 DDAB CCS(=O)(=O)NCCNC(C)(C)c1nc(C)c(C)s1 72866774 TVFQFLXCRJMUGB-UHFFFAOYSA-N 305.469 1.524 0 40 DDAB Cc1nc(NC(=O)N2CC[C@H](CO)C2)ccc1Br 185668939 LGLDQSXFDQQMKT-VIFPVBQESA-N 314.183 1.999 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccccc1 72237931 XJCJNKDVZFNULG-HZPDHXFCSA-N 314.341 1.494 0 40 DDAB CCN(CC)CCCNS(=O)(=O)c1cnn(C(C)C)c1 72239290 DQDPGZIUTKRJER-UHFFFAOYSA-N 302.444 1.474 0 40 DDAB C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H]1CN(C)CCN1C 73092938 WPUMFXNSHHZLKN-JKSUJKDBSA-N 319.449 1.454 0 40 DDAB Cc1nc2c(NCCn3cc(Cl)cn3)nc(N)nc2n1C 72240951 CXIDGEMNVDWGFE-UHFFFAOYSA-N 306.761 1.216 0 40 DDAB CO[C@@]1(C)C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C 72559929 JIABGUSRUWAIQX-LRDDRELGSA-N 323.441 1.770 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72240997 JOPSWEFGDKKKSC-ZDUSSCGKSA-N 316.361 1.760 0 40 DDAB O=C(NS(=O)(=O)c1ccccc1)[C@@H]1COc2ccccc2C1 71946668 KLJCVLJLJNEJSH-ZDUSSCGKSA-N 317.366 1.743 0 40 DDAB COc1ncccc1NC(=O)N(C)Cc1nnc2n1CCC2 61660783 NCRDQMJGYMIGCD-UHFFFAOYSA-N 302.338 1.292 0 40 DDAB C[C@H](NS(=O)(=O)N(C)C)c1ccc(-c2cncnc2)cc1 74974786 VDWUXTJCTDKTRP-NSHDSACASA-N 306.391 1.601 0 40 DDAB Cc1cc(C(=O)O)c(=O)n(CC(=O)Nc2cccc(Cl)c2)n1 225961648 KFMVZPOMPGFYEP-UHFFFAOYSA-N 321.720 1.542 0 40 DDAB COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 195531909 NKBXRJUNSMHHHK-NILFDRSVSA-N 313.357 1.859 0 40 DDAB COc1cc(N2CC[C@@H](CN)S2(=O)=O)c(OC)cc1Cl 222546065 GUNOIZCIMMCYCV-QMMMGPOBSA-N 320.798 1.224 0 40 DDAB CCN1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3OC2)C1 191907807 SXCAFPBKFTYHGR-AWEZNQCLSA-N 322.430 1.824 0 40 DDAB CC(C)CNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944746 GINFMTDOAQJWEU-CYBMUJFWSA-N 316.398 1.578 0 40 DDAB CCC[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1C(=O)O 91605079 QQWQCTQVOQPUFW-DGCLKSJQSA-N 301.350 1.599 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(F)c1 96427705 RDUREEVPEABNRA-GFCCVEGCSA-N 312.410 1.897 0 40 DDAB Cn1cc(CN2CCO[C@H]3CN(Cc4ccsc4)C[C@H]32)cn1 96248753 BTORMZRLSHATBR-CVEARBPZSA-N 318.446 1.567 0 40 DDAB C[C@H](NC(=O)CN(C)S(=O)(=O)CC1CCCCC1)C1CC1 96429036 SUHXSRBJSVQXHW-LBPRGKRZSA-N 316.467 1.743 0 40 DDAB Cc1occc1C(=O)N1CCN(CCOC[C@H]2CCCO2)CC1 95400866 YRQRAMHGUNIKPB-OAHLLOKOSA-N 322.405 1.541 0 40 DDAB CN1CC2(CCN(S(C)(=O)=O)CC2)C[C@H]1COCC1CC1 96216501 UMTUUMHAFGTGJF-AWEZNQCLSA-N 316.467 1.159 0 40 DDAB CCS(=O)(=O)N1CCCn2cnc(COCC3CC3)c2C1 96059029 NHLNBDJXNDPJDT-UHFFFAOYSA-N 313.423 1.365 0 40 DDAB Cc1nc([C@H]2CN(CCOc3ccc(F)cc3)CCO2)no1 95958085 FCQCNQOUYDUTNL-CQSZACIVSA-N 307.325 1.969 0 40 DDAB COCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 96261131 UNNPJSCCZPTGEN-OAHLLOKOSA-N 316.401 1.688 0 40 DDAB O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC(O)C1 96467440 LHIMKRIEIJXWOT-UHFFFAOYSA-N 301.346 1.261 0 40 DDAB C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)NCCN1CCOCC1 96421413 AEAUODVEZXUHDI-DZGCQCFKSA-N 323.462 1.968 0 40 DDAB Cc1ccc(OCCCC(=O)N2CCC[C@H]2C(N)=O)cc1C 96445270 XNTDTDNIQIGOPB-HNNXBMFYSA-N 304.390 1.939 0 40 DDAB C[C@H]1CCCN(C(=O)c2cccc(OCc3nnnn3C)c2)C1 96101356 DPESNKPZRIPDQC-LBPRGKRZSA-N 315.377 1.661 0 40 DDAB O=C(c1ccoc1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96047733 YFQDMXZMLUBEFU-XJKSGUPXSA-N 314.345 1.555 0 40 DDAB Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)CS(C)(=O)=O)c1 96408089 JAVNRFGTVHKXQZ-CYBMUJFWSA-N 324.446 1.758 0 40 DDAB Cc1ccc(CN2CCn3c(C(=O)N(C)C)cnc3C2)s1 96198642 RKDAPSJRKIDTEJ-UHFFFAOYSA-N 304.419 1.971 0 40 DDAB CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)Nc2ccccc2)[C@H]1O 96296130 TWHXQJSSUQMIGP-KFWWJZLASA-N 321.421 1.572 0 40 DDAB biogenic,in-vitro O=C(NC[C@@H]1CO[C@@H]2CN(CC3CC3)C[C@@H]21)c1cccnc1 247385646 KFJOBAAUGAEKIU-BZUAXINKSA-N 301.390 1.168 0 40 DDAB CCOCC[C@H]1CCOC12CCN(C(=O)c1ccn(C)n1)CC2 248158218 WIPLFICGVPTZGI-AWEZNQCLSA-N 321.421 1.858 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cnco2)n1 257225204 FFHDOYQCZKBPIG-CYBMUJFWSA-N 315.333 1.078 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCc2ccncc2)c1 257256865 KNFUNYFORRKBBN-UHFFFAOYSA-N 307.357 1.656 0 40 DDAB Cc1cc(C)n2ncc(CN3CCOC[C@H]3c3ccn[nH]3)c2n1 257313701 UTSGYPKPCFVVME-HNNXBMFYSA-N 312.377 1.643 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@H](c2cccc(N)n2)C1 257313790 UUDYKUPQYGVTPW-LBPRGKRZSA-N 302.334 1.482 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)Cc3nonc3C)CC[C@H]21 257301869 SAGUJLYTFSBTJR-DZGCQCFKSA-N 320.393 1.170 0 40 DDAB O=C(COc1cccc(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257300942 RWHVOKKBEZHALJ-HOCLYGCPSA-N 309.337 1.347 0 40 DDAB Cc1nnsc1C(=O)NC[C@H](O)c1ccc2c(c1)CCN2C 96362184 XFJMBGMNBTXTFK-ZDUSSCGKSA-N 318.402 1.302 0 40 DDAB CN(C)CCC(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575404531 NRSZUNFVZRPVTD-ZDUSSCGKSA-N 321.446 1.499 0 40 DDAB COc1ncnc2c1CCN(C(=O)CCc1ccc[nH]1)CC2 585110496 LZSORBULDOUNBM-UHFFFAOYSA-N 300.362 1.373 0 40 DDAB CC1(C)C[C@]2(CCCN2C(=O)C2CCOCC2)[C@H](CC(N)=O)O1 585288053 OMYUVPFUYIIVJZ-SUMWQHHRSA-N 324.421 1.217 0 40 DDAB CCCn1ccc(C(=O)N2CCOC[C@@H]2c2ncc(C)[nH]2)n1 585181452 JEAWANMVDWKUIO-CYBMUJFWSA-N 303.366 1.538 0 40 DDAB Cc1cncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)c1 585098120 UIKWSQMJFKIGEG-OAHLLOKOSA-N 313.405 1.563 0 40 DDAB Cc1[nH]ccc1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 85263758 SGNLAXJIYNYEHA-UHFFFAOYSA-N 306.435 1.962 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C[C@@H]1COc2ccccc2O1 12978733 QRVPHQYYYUKJIA-SNVBAGLBSA-N 318.295 1.437 0 40 DDAB C[C@H](NC(=O)c1nccnc1N)c1ccc2c(c1)OCCO2 14776979 BMIVXFRZHRTPRZ-VIFPVBQESA-N 300.318 1.321 0 40 DDAB CN1N[C@@H](c2cccnc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 19169160 BNLSUSHGDMKRKX-PMPSAXMXSA-N 322.368 1.127 0 40 DDAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CC(=O)OC2(C)C)cc1 19456699 QRTYECMJBPMUOW-SMDDNHRTSA-N 321.373 1.920 0 40 DDAB C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(N)=O 5626869 HEZPPVHOAOYQJE-HTQZYQBOSA-N 316.151 1.633 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)NCC3CC3)ncn2C1 2055717891 BHCPTCGXQOEGIV-LBPRGKRZSA-N 304.394 1.110 0 40 DDAB COCCOc1cc(C(=O)NCc2ccc(CO)o2)ccn1 244975262 IIQCTEXAPQPYKE-UHFFFAOYSA-N 306.318 1.122 0 40 DDAB CC(C)OCCCNS(=O)(=O)N(C)Cc1ccccc1 40061662 HAQBOBQCRPYKFO-UHFFFAOYSA-N 300.424 1.768 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1cc2c(C)nn(C)c2s1 45746550 HIBHMUFKWVWSKB-UHFFFAOYSA-N 308.407 1.671 0 40 DDAB Cn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1 91762627 XSLZMTFTLVMJSG-FZMZJTMJSA-N 307.300 1.646 0 40 DDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC 2559961 MLXYPLUNUWQNRD-ONGXEEELSA-N 302.371 1.215 0 40 DDAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(O)cc1O 3417561 OILUCHNUMBIADR-UHFFFAOYSA-N 315.325 1.913 0 40 DDAB COc1ccc(OC[C@H](O)CNCCCO)c(C(C)(C)C)c1 6790339 PPCCNVYGFNUISX-CYBMUJFWSA-N 311.422 1.704 0 40 DDAB C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(N)=O 7089168 MOGYADBKJCWQNB-XCBNKYQSSA-N 307.331 1.548 0 40 DDAB O=C1NS(=O)(=O)[C@H]2C(Cl)=C(Cl)[C@@]3(Cl)[C@H]2[C@@]13Cl 104088306 XUUFIFMBRBNMQE-ZKHLEPQOSA-N 322.984 1.102 0 40 DDAB O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)c1ccccc1 7988233 GAYNQZSPUZUICW-INIZCTEOSA-N 307.357 1.773 0 40 DDAB CCN(C(=O)CN1CCC(c2ccnn2CCO)CC1)C1CC1 58305273 BZIPCZGNTIAAEV-UHFFFAOYSA-N 320.437 1.066 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 41132150 POAYJEJMNZOCCO-LBPRGKRZSA-N 315.398 1.686 0 40 DDAB COCc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cl 8021125 SUJHOUNXDICPKZ-UHFFFAOYSA-N 323.711 1.946 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 108531142 WCXZPUPKBCZMIB-HOTGVXAUSA-N 322.405 1.458 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 69656325 FHVRREZQFOFJRR-CYBMUJFWSA-N 320.393 1.011 0 40 DDAB CCONC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 22874486 SMFLMYVWNWPISQ-CYBMUJFWSA-N 312.391 1.298 0 40 DDAB COc1ccc(CC(=O)NCCCN2CCOCC2)cc1OC 23379328 CKSCNNXDFWLGMW-UHFFFAOYSA-N 322.405 1.085 0 40 DDAB Cc1ccn2cc(C(=O)NCc3nnc4ccccn34)nc2c1 23644841 MBHKPKIONBUURN-UHFFFAOYSA-N 306.329 1.615 0 40 DDAB Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 108535725 NIDQVABYGPPTRP-SJLPKXTDSA-N 316.449 1.939 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3sccc3C)C[C@@H]21 108534044 NHUWGKUJMXTHRE-KBPBESRZSA-N 324.446 1.618 0 40 DDAB Cn1c(C(=O)N2CCCCC2)cc2c(=O)n3ccccc3nc21 2916947 GISPOPPSDFIWTG-UHFFFAOYSA-N 310.357 1.812 0 40 DDAB COc1cccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 25024734 HCQUFWVEFWVPFO-OAHLLOKOSA-N 320.370 1.305 0 40 DDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]2CCCC[C@H]21 106786818 FVAVWRKCRMYYBC-RRFJBIMHSA-N 317.437 1.364 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(F)c(C(N)=O)c1 25145651 JZDNFRLKVVWSSN-PSASIEDQSA-N 307.325 1.025 0 40 DDAB O=C(c1ccoc1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 25237252 NCGOUMGFLVZRMF-UHFFFAOYSA-N 307.737 1.859 0 40 DDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cnn(C)c1)C2=O 25309608 MCGFVSUPPQDJSU-JTQLQIEISA-N 312.329 1.352 0 40 DDAB Cc1nnc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)s1 100840455 VEHRZYQIOKQEGN-UHFFFAOYSA-N 306.347 1.372 0 40 DDAB CN1CCN(CC2CCN(C(=O)c3cccs3)CC2)CC1 57065571 OGIIQPNKTKHDAL-UHFFFAOYSA-N 307.463 1.848 0 40 DDAB CC(=O)NC[C@H]1CN(C[C@H](O)c2cc(C)ccc2C)CCO1 108090706 ATZUCMQLSUHSMD-RDJZCZTQSA-N 306.406 1.174 0 40 DDAB Cc1ccsc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 27270993 GXYPJNGQWFRIRT-UHFFFAOYSA-N 316.386 1.640 0 40 DDAB CC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 22273104 FCMHMTNLUFKZRH-ZDUSSCGKSA-N 312.435 1.984 0 40 DDAB CC[C@@](C)(NC(=O)/C=C/c1ccc(C(=O)OC)cc1)C(=O)OC 58181640 JHAKXOOUNONTGB-VGMNTSGFSA-N 319.357 1.944 0 40 DDAB CC(C)CNC(=O)CNC(=O)NCCCN1CCC(C)CC1 58210679 PQYCRDXQXAZSFS-UHFFFAOYSA-N 312.458 1.180 0 40 DDAB O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCOC1)C1CC1 44941003 UIUAAACKDIGSOL-LBPRGKRZSA-N 300.362 1.459 0 40 DDAB CN(C)S(=O)(=O)N1CCN(c2ccc3ccccc3n2)CC1 44933807 PMFAIBDENPSJGU-UHFFFAOYSA-N 320.418 1.163 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1ccoc1 44973705 WZNRYJBVNZAFQT-PWSUYJOCSA-N 310.350 1.102 0 40 DDAB COc1ccc([C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1F 44936295 XLARYDJEYBSXFS-DTWKUNHWSA-N 303.355 1.445 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](c2ccccc2)C1 58368514 KOWOBHBUDYFSHE-KGLIPLIRSA-N 321.446 1.793 0 40 DDAB CN(C)[C@@H](CNC[C@@H]1CNc2ccnn2C1)c1cccc(F)c1 58315926 MHRMWCUGWIIDQJ-CJNGLKHVSA-N 317.412 1.956 0 40 DDAB COc1ccccc1N1C(=S)S[C@H]2CS(=O)(=O)C[C@@H]21 2235329 SYANJXOHYBPDLI-ONGXEEELSA-N 315.441 1.699 0 40 DDAB O=C(NO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)nc1 58429883 YTHMYPDTTWGZOE-CQSZACIVSA-N 307.350 1.106 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ncccn2n1 12693712 MSACYCABNQFDIE-QWRGUYRKSA-N 305.407 1.911 0 40 DDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NC1CCCCC1 3315406 QSDPULSOUKCTFW-HNNXBMFYSA-N 319.357 1.819 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(S(C)(=O)=O)cc1 48432437 OWHVTYSBLOTCAX-GFCCVEGCSA-N 311.403 1.589 0 40 DDAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 409367418 XTZRQDGIJVIHLE-CYBMUJFWSA-N 312.435 1.753 0 40 DDAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCNC(=O)C4)cc3c2C1 12935561 FFOZORQZNFJLFA-LLVKDONJSA-N 311.385 1.865 0 40 DDAB Cc1cnn(C[C@H](C)N[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 69773898 LLAWFSJHUONGMC-BYNSBNAKSA-N 308.426 1.194 0 40 DDAB COc1cccc(Nc2nc(NCCO)c3cnn(C)c3n2)c1 4272768 XOQSUDBTHIZRCB-UHFFFAOYSA-N 314.349 1.520 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](n2ccnc2)C1 69742825 PIFOXFMXJMLZCJ-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CCC[C@H](C(F)(F)F)C1 65452304 HOWDDOQSZVBDID-VIFPVBQESA-N 317.315 1.708 0 40 DDAB O=C(NCc1ccccc1COc1ccccc1)c1n[nH]c(=O)[nH]1 69568115 VXSKFSVEYZVTQB-UHFFFAOYSA-N 324.340 1.607 0 40 DDAB Cn1c(NC(=O)Cn2nnc3ccccc32)nc2ccccc21 28233122 JVAPHFBXSUITKU-UHFFFAOYSA-N 306.329 1.957 0 40 DDAB O=C(NCCn1ccnc1)NC[C@H](c1ccco1)N1CCCC1 65553353 YOQQBGLEQXJCPQ-CQSZACIVSA-N 317.393 1.612 0 40 DDAB C[C@H](CN1CCCC1=O)NCc1cn(C)nc1-c1cccnc1 65552552 CLVGTTQSFWWYPO-CYBMUJFWSA-N 313.405 1.583 0 40 DDAB C[C@H](c1ccccc1Cl)N(C)CC(=O)N1CCNC(=O)C1 65548506 FSBBZSUXKPUWIM-LLVKDONJSA-N 309.797 1.291 0 40 DDAB C[C@@H](O)CNCc1cc2ccccc2nc1N1CCOCC1 65549053 OZVFIVJBBCXLNZ-CYBMUJFWSA-N 301.390 1.542 0 40 DDAB NC(=O)c1cccc(CS(=O)(=O)C[C@@H](O)c2ccccc2)c1 65652776 BISOQMGOBCEOBY-OAHLLOKOSA-N 319.382 1.434 0 40 DDAB CN(CCCC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 14232429 CQYZSNOKQDOKGL-UHFFFAOYSA-N 314.382 1.505 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc[nH]1 5653886 LOZINWYJMFNJRU-UHFFFAOYSA-N 312.281 1.037 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccnn2C)n1 71865587 GSNVPFMSAFDLDO-CQSZACIVSA-N 301.394 1.928 0 40 DDAB CCOC(=O)CCN(C)C(=O)[C@H]1COc2cc(OC)ccc2C1 71846871 QQEYLPBTDYYPRH-CYBMUJFWSA-N 321.373 1.658 0 40 DDAB Cc1ccc(C)n1-c1c(C(=O)/N=c2/sccn2C)cnn1C 84191362 CBBBCNULTJCWBY-BMRADRMJSA-N 315.402 1.969 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cc(C)nc(N)n1 72268327 RGFGXBTWSWCZPT-OLZOCXBDSA-N 303.410 1.737 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3CCc4ccccc43)CCO2)n1 76044731 RGHXHIGZAJRDNX-LSDHHAIUSA-N 312.373 1.743 0 40 DDAB C[C@@H]1CN(C)c2ccccc2N(CCN2C(=O)CNC2=O)C1 76040621 DEVQDTIKWGYRBZ-GFCCVEGCSA-N 302.378 1.131 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2ccccn2)C1 84281274 UVEQOIKRISJEPN-HNNXBMFYSA-N 315.377 1.396 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2nccn2C1 97197684 ZZRWRBBCQIGPPD-LLVKDONJSA-N 319.386 1.031 0 40 DDAB CC(C)NC(=O)c1cccc(CNC(=O)N2CCO[C@@H](C)C2)c1 72301260 JOHQTFBFPRIFPS-ZDUSSCGKSA-N 319.405 1.755 0 40 DDAB CC1CCC(NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 78994853 GWHRCYMKXRKWMT-MCIGGMRASA-N 305.465 1.602 0 40 DDAB Cc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)n1 79488683 ONFNNVJXMXBRFK-UHFFFAOYSA-N 310.313 1.845 0 40 DDAB Cc1ccc(C(=O)N[C@H](C(=O)NCCCC(=O)O)C(C)C)cc1 95956886 WNYZQLIPXPTFGD-HNNXBMFYSA-N 320.389 1.730 0 40 DDAB C[C@@]1(CO)CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 95940327 MBCNKZFKEFDBQI-KDOFPFPSSA-N 316.401 1.951 0 40 DDAB CS[C@@H]1CCC[C@H]1NC(=O)N1CCC(n2cncn2)CC1 74762215 GINVZCDBPAVQPE-CHWSQXEVSA-N 309.439 1.909 0 40 DDAB C[C@@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccccc1 547895556 HXAYNPWVNFOZMC-LBPRGKRZSA-N 320.370 1.746 0 40 DDAB Cc1csc(NC(=O)Cn2nc3c(cc2=O)CCCC3)n1 61717929 MMZFSFZPMJEFPT-UHFFFAOYSA-N 304.375 1.526 0 40 DDAB Cc1ccn(-c2ccc(N3CCC4(CC3)C[C@H]4C(=O)O)nn2)n1 514732406 GIHJMLPRJMYMEU-LBPRGKRZSA-N 313.361 1.662 0 40 DDAB O=C(CCn1cnnn1)N1CCc2[nH]c3ccc(F)cc3c2C1 524733644 ZNSLXTPWPPDTPM-UHFFFAOYSA-N 314.324 1.269 0 40 DDAB C[C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)N1CCCC1 32841136 RLGHXLNSNQPPHV-NSHDSACASA-N 316.357 1.739 0 40 DDAB O=C(OC[C@@H]1CC=CCC1)C1=CC=CN2CCS(=O)(=O)N=C12 71800518 PCDUKXQJUYRIGO-GFCCVEGCSA-N 322.386 1.384 0 40 DDAB Cc1cn(C)nc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 38871766 URUMZDYWBKQHFN-UHFFFAOYSA-N 315.337 1.808 0 40 DDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CCCCC1 225882446 RJGFMJGOHPCPKC-UHFFFAOYSA-N 317.436 1.473 0 40 DDAB CN(C)c1ncc(NC(=O)Nc2ccc3c(c2)OCO3)cn1 224260867 NMJDBKPTAIGUNB-UHFFFAOYSA-N 301.306 1.915 0 40 DDAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)NC(C)(C)C)CC1 85468297 XODBOMMXLITBOI-CQSZACIVSA-N 310.486 1.842 0 40 DDAB CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223353354 IFBNGZRGRJOPSX-GFCCVEGCSA-N 304.346 1.433 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)Cc1n[nH]c(=O)c2ccccc12 44571872 JZXKFIZOBSKLPW-GFCCVEGCSA-N 314.389 1.066 0 40 DDAB CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(C)=O 222746500 YDLACGLXNAUOOE-AWEZNQCLSA-N 306.406 1.966 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C)CC2=O)cc1OC 44666948 RXOHEGKVDQXXHA-NSHDSACASA-N 320.389 1.971 0 40 DDAB CN(c1ccc(CC(=O)NCC(C)(C)C)cc1)S(C)(=O)=O 225975774 PVIKCSLSPYLHCA-UHFFFAOYSA-N 312.435 1.787 0 40 DDAB COC(=O)c1ccc(NC(=O)COc2c(C)[nH]ccc2=O)cc1 40268200 HPGRIBAYMRXTTG-UHFFFAOYSA-N 316.313 1.487 0 40 DDAB O=C(Cc1cccc(Cl)c1)N[C@H]1CCc2n[nH]c(=O)cc2C1 238811835 AMMQWIUXKRBAJK-ZDUSSCGKSA-N 317.776 1.640 0 40 DDAB CS(=O)(=O)N1CCO[C@H](c2ccccc2Br)C1 96402773 WKJLYDAWDVAHQN-NSHDSACASA-N 320.208 1.782 0 40 DDAB CC(C)C[C@H](NC1CCOCC1)C(=O)N1CCC(CO)CC1 95422307 BBQCQXNVICRIML-INIZCTEOSA-N 312.454 1.401 0 40 DDAB Cc1ccc(N2Cc3ncn(CC(C)C)c3[C@@H](C(=O)O)C2)nn1 96067852 HXIMMNSTNFPHJK-LBPRGKRZSA-N 315.377 1.826 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(c1ncc(F)cn1)C2 96215131 BHRJHVHBXKWBRQ-ZDUSSCGKSA-N 314.386 1.010 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 97198124 OVXFGIPAYLIZMN-CYBMUJFWSA-N 324.388 1.526 0 40 DDAB CCn1cnc2c1[C@H](C(=O)O)CN(Cc1cccc(C)n1)C2 96067837 DQXQCSUQPWXHJX-CYBMUJFWSA-N 300.362 1.790 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cccnc1 96055712 FIKVTGZQRUCIQM-DZGCQCFKSA-N 310.357 1.440 0 40 DDAB CCN1CCN(c2ccc(C(=O)N[C@@H]3CCCOC3)cc2)CC1 96436385 XLTUWKDFMVBBKX-MRXNPFEDSA-N 317.433 1.737 0 40 DDAB Cc1cnc(C(=O)N2CCOC[C@H]2c2csc(C)n2)cn1 96218671 LWWQVQUYGWPGMQ-ZDUSSCGKSA-N 304.375 1.764 0 40 DDAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccncn1)C2 96039419 BBLBERXIMHMVAO-GDBMZVCRSA-N 305.378 1.524 0 40 DDAB COCCN1CCN(C(=O)CC2CC2)Cc2ccc(C)nc21 96199045 VMFSZXKLNIOOEV-UHFFFAOYSA-N 303.406 1.985 0 40 DDAB O=C1CCC2(CCN([C@H]3CCOC3)CC2)N1Cc1cccnc1 96228154 BFTJOMAYKGRBSQ-INIZCTEOSA-N 315.417 1.828 0 40 DDAB c1csc(CNC[C@H]2Cn3nnc(-c4ccoc4)c3CO2)n1 96199201 HSSKBQXGMLNFFI-NSHDSACASA-N 317.374 1.683 0 40 DDAB CN(C[C@H](O)C(F)(F)F)C(=O)Nc1cccc([S@](C)=O)c1 96491449 RPGHMASQXPBUEL-CHNSCGDPSA-N 324.324 1.811 0 40 DDAB C[C@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 97234158 XVWCMEORUHATRI-WPRPVWTQSA-N 303.284 1.427 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)c1nn(C)c3ccccc13)C2 248058695 PIBXUGVIMAYWLS-NSHDSACASA-N 317.414 1.920 0 40 DDAB O=C(O)c1ccccc1-n1cc(CN2CCC(CO)CC2)cn1 257270450 MUGUDJOGLLRTBN-UHFFFAOYSA-N 315.373 1.775 0 40 DDAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)n1 257333262 YAWOYHKBTTVSHW-CYBMUJFWSA-N 315.377 1.483 0 40 DDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN2CC(=O)N(C)C)n1 257317740 VKXYBHFNOWBZLV-ZDUSSCGKSA-N 320.393 1.027 0 40 DDAB CN(CC(=O)N1CCO[C@@H](c2cccc(N)n2)C1)C1CCCC1 257324975 WQZLGOCIVAXYKD-OAHLLOKOSA-N 318.421 1.438 0 40 DDAB Cn1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257209149 BPEYFCLKLSVYAC-FVQBIDKESA-N 315.373 1.511 0 40 DDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2S(C)(=O)=O)n1 257291505 QHFZKKBLWKFVKL-LBPRGKRZSA-N 307.379 1.272 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2F)CC[C@@H]1O 257268939 MNWPVFVOLVSWEL-HOTGVXAUSA-N 322.380 1.246 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3cc[nH]n3)cn2)C1 257240411 HTIPIWLFDWECMR-SNVBAGLBSA-N 307.379 1.006 0 40 DDAB Cc1cc(-c2ncccc2C[C@@H]2CCN(S(C)(=O)=O)C2)[nH]n1 257230459 GCLWUAHTPHUVFI-LBPRGKRZSA-N 320.418 1.604 0 40 DDAB O=C(Cn1cccn1)N1CCCC[C@H]1c1ccn2ccnc2n1 257201874 AJLIWDZBKHFVLU-AWEZNQCLSA-N 310.361 1.680 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1 257268621 MMLZVERVTBQHQE-CQSZACIVSA-N 318.421 1.827 0 40 DDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CCO2)C1 575406836 VERKKMXKDANHPA-ZDUSSCGKSA-N 303.424 1.385 0 40 DDAB O=C(c1cc[nH]n1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575607486 NLNXXQRWEHMPSM-CQSZACIVSA-N 319.386 1.412 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)/C=C/c3ccnn3C)CC[C@H]21 585289669 LVFJHFHOZLCZDO-RPWHMATFSA-N 316.405 1.293 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)NCCn1ccnc1 44889948 ZLLUUMUHYBJYJG-UHFFFAOYSA-N 316.386 1.138 0 40 DDAB O=C(Nc1ncn(Cc2ccccc2)n1)c1cnn2cccnc12 54113927 WOOKMXDUACEBCS-UHFFFAOYSA-N 319.328 1.621 0 40 DDAB Cc1cc(C)n(Cc2cccc(NC(=O)[C@@H](C)NC(N)=O)c2)n1 66426954 QKWVOGWMZWNJKE-GFCCVEGCSA-N 315.377 1.544 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)c1 69486289 BBAFGRGJSNXBNH-UKRRQHHQSA-N 316.405 1.366 0 40 DDAB COc1ccc(OC)c([C@@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)c1 5066942 KZBHVOAPLYGIMA-YPMHNXCESA-N 303.318 1.115 0 40 DDAB COC[C@@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 13717400 BEEQZZBQLALCKB-LLVKDONJSA-N 304.346 1.214 0 40 DDAB CC[C@@H](C1=CCCCC1)c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 17420235 NOQHZUSSLZIHMJ-NSHDSACASA-N 302.378 1.954 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2CN(C(=O)C(C)C)C2)n1 19749010 ZPRARQQYNHNNTN-GFCCVEGCSA-N 320.437 1.367 0 40 DDAB CN1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1 22999712 NUNDLRWAQVGDPQ-UHFFFAOYSA-N 302.827 1.960 0 40 DDAB CCOP(=O)(CCN1CCCNc2c1c(=O)c2=O)OCC 4277654 RMZDUZKPZCCPNF-UHFFFAOYSA-N 316.294 1.171 0 40 DDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccncc3)[C@@H]2CN1 2037980749 HHRDBFANUGUZLL-ZHALLVOQSA-N 323.396 1.565 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O 1565544473 ICLRNHHQRUQHJN-JMLCCBQJSA-N 322.449 1.910 0 40 DDAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)NC(C)C)OC[C@H]3C2)n[nH]1 1565550593 FCGLUCMNQWGQTK-BMFZPTHFSA-N 320.437 1.470 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1ccccc1 425477 ISZMNAWQOIYTDA-UHFFFAOYSA-N 322.368 1.541 0 40 DDAB CCCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 4280405 CQLRMELKLZXUCM-UHFFFAOYSA-N 309.391 1.490 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCCc1nnc2ccccn12 40093242 VHQHPXWTBAHJCV-SECBINFHSA-N 316.283 1.355 0 40 DDAB C[C@H](COc1cccc(F)c1)NC(=O)N1CCC(C(N)=O)CC1 50156463 VMNAVNBHHDMNLN-LLVKDONJSA-N 323.368 1.500 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)OCCCO2 40521794 DIKPXLUNJXWSOM-LBPRGKRZSA-N 304.346 1.246 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCCNC3=O)n[nH]2)s1 40522086 PPIDOEIQTWWHSZ-SNVBAGLBSA-N 318.402 1.845 0 40 DDAB Cc1cc(C)n(CC(=O)NCc2cccnc2-n2ccnc2)n1 45897747 LJRRJPOKMAUKJE-UHFFFAOYSA-N 310.361 1.397 0 40 DDAB O=C1CN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CCN1 51380111 MHCCWEMGFMXUCK-SFHVURJKSA-N 315.417 1.466 0 40 DDAB CC(C)CNC(=O)c1ccc2c(c1)nc1n2CCN(CCO)C1 20719463 XYIHGSCEFAYYMR-UHFFFAOYSA-N 316.405 1.230 0 40 DDAB CCCOc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1 101675399 KLYPVAGFVBSCGX-GFCCVEGCSA-N 301.306 1.445 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)o1 69652062 XMEKJBFHAHNROK-CQSZACIVSA-N 316.361 1.627 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 7688369 JBJNWPWYNLNTRB-NSHDSACASA-N 314.407 1.197 0 40 DDAB COc1ccc2[nH]c3c(N(C)CC4OCCO4)ncnc3c2c1 485640 SALXCISTGXZPEQ-UHFFFAOYSA-N 314.345 1.929 0 40 DDAB biogenic CCN(CC)S(=O)(=O)NCCCCN1CCC[C@@H](C)C1 32929528 FMLXLRVQEWEGDS-CQSZACIVSA-N 305.488 1.675 0 40 DDAB C[C@@H](CC(=O)OCCN1C(=O)NC(C)(C)C1=O)n1cccc1 69653457 YABMTOCHIOANRV-NSHDSACASA-N 307.350 1.313 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 103462254 NAWCTXDTMIDZMO-NWDGAFQWSA-N 314.407 1.517 0 40 DDAB CC(C)(C)C(=O)N1CCC(C(=O)NCCN2CCCCC2)CC1 46855965 IYBDGRORLRTVCC-UHFFFAOYSA-N 323.481 1.873 0 40 DDAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1n[nH]c(O)n1 71903233 NPNAAZGWZSSPCX-UHFFFAOYSA-N 306.282 1.420 0 40 DDAB Cc1cccc(CCNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)c1 110625111 YFUMHWJCVXQGKL-KGLIPLIRSA-N 312.435 1.481 0 40 DDAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccnc(-n2cncn2)c1 71920433 SXEHQKLGKGGJTP-ZIAGYGMSSA-N 324.344 1.809 0 40 DDAB Cn1cc(CCNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cn1 42729329 NJSXVAFBXGLLKU-AWEZNQCLSA-N 305.765 1.736 0 40 DDAB Cc1cccnc1NC(=O)COc1ccc(-n2cnnn2)cc1 27975986 GNAUKERJTFWRSX-UHFFFAOYSA-N 310.317 1.383 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)c2ncnc3[nH]cnc23)C1 47403207 YIYYAIAMSHBKSG-GHMZBOCLSA-N 302.382 1.294 0 40 DDAB CCCn1c(=O)c2ccccc2n2c(SCCCO)nnc12 25049162 IXOMSLWRARFDQU-UHFFFAOYSA-N 318.402 1.929 0 40 DDAB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 25266237 UIZHJBNCHYBXJO-OAHLLOKOSA-N 313.332 1.937 0 40 DDAB O=C([C@H]1CSCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 107495275 MEJUYJQPBHXPKZ-IGQOVBAYSA-N 308.447 1.947 0 40 DDAB O=S1(=O)CCC[C@@H]1CNCc1csc(-c2ccccn2)n1 89884652 CSTWZTMYXXRLGK-GFCCVEGCSA-N 323.443 1.872 0 40 DDAB C[C@H]1CCN(S(=O)(=O)NC[C@H](C)N(C)c2ccccc2)C1 108170382 HFCXZXFOSMLHAH-KBPBESRZSA-N 311.451 1.688 0 40 DDAB O=C1CC[C@H]2CN(c3cn[nH]c(=O)c3Cl)CC[C@H]2N1C1CC1 108489500 BHDLAYHCMDZGIN-GXSJLCMTSA-N 322.796 1.403 0 40 DDAB Cn1cc([C@]2(C)CN(C(=O)Cc3ccccc3O)CCO2)cn1 89919536 SUJJBFCSKINWJV-KRWDZBQOSA-N 315.373 1.442 0 40 DDAB CN1N=C(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)CCC1=O 58166865 XQHCSOJNYVSWSF-GFCCVEGCSA-N 305.382 1.022 0 40 DDAB O=C(N1CCCC1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 306130176 IYMCLDFZSCKTOK-AWEZNQCLSA-N 317.389 1.910 0 40 DDAB COc1ccccc1C(C)(C)CNC(=O)Cn1cccnc1=O 58269133 JWLBYFKAZOGZEW-UHFFFAOYSA-N 315.373 1.346 0 40 DDAB NC(=O)c1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 44944962 VBDBYAQTHKQBJQ-UHFFFAOYSA-N 317.374 1.836 0 40 DDAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1cccc(S(N)(=O)=O)c1 12777752 RKYUDMPOBAOLAN-RYUDHWBXSA-N 308.403 1.868 0 40 DDAB NC(=O)[C@@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 48234307 YZEWWKVPCLSPNU-ZDUSSCGKSA-N 300.362 1.500 0 40 DDAB O=C(NCCCO)NCc1cc(Cl)c2c(c1)OCCO2 48301501 LKXHVSFEPBFWQH-UHFFFAOYSA-N 300.742 1.293 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1N 3484302 RZUZVKQLBHVXAV-GXSJLCMTSA-N 309.439 1.656 0 40 DDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](n2ccnc2)C1 70020866 KPZQHJHEVBBNNL-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB O=C(NCCN1CCc2sccc2C1)NCC(F)(F)F 49028853 IFZMWGJEHYGZII-UHFFFAOYSA-N 307.341 1.968 0 40 DDAB O=C(CN1CCCC[C@@H]1C1OCCO1)NCc1ccccc1 69454381 BFWAHDIDFHOBPO-OAHLLOKOSA-N 304.390 1.530 0 40 DDAB CC(=O)Nc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392767 ZBHBTFRLXFANGV-LLVKDONJSA-N 310.375 1.408 0 40 DDAB COc1cc(OC)cc(C(=O)NCCNC(=O)c2ccco2)c1 4498076 JTJAROVAWAZQTG-UHFFFAOYSA-N 318.329 1.457 0 40 DDAB Cc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)n1C 14084029 PUABEMZOBQWANM-UHFFFAOYSA-N 323.353 1.703 0 40 DDAB O=C(c1cnc2ncnn2c1)c1cc(Br)ccc1O 14168562 VJSMNIPBMKQPHZ-UHFFFAOYSA-N 319.118 1.823 0 40 DDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(F)cc1 6669384 NEHFNXVAZDEEAF-UHFFFAOYSA-N 319.321 1.602 0 40 DDAB COC(=O)c1c(NC(=O)C(=O)NC(C)C)sc2c1CCC2 6759137 ARBMVGATHYRMFU-UHFFFAOYSA-N 310.375 1.487 0 40 DDAB CC(C)N1CCCC[C@H]1C(=O)Nc1ccc(CC(N)=O)cc1 69951750 JSXBICYGZCBLNC-HNNXBMFYSA-N 303.406 1.916 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(N)cc1 5709118 DILYCBDRYLVJIS-UHFFFAOYSA-N 319.342 1.225 0 40 DDAB C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1nc2ccccc2c(=O)[nH]1 14926017 NBSDPNIDNQIBTJ-NSHDSACASA-N 316.405 1.658 0 40 DDAB Cc1cc(C(=O)CN2C(=O)c3cccc(N)c3C2=O)c(C)n1C 8747563 BFNZPJVVZJHXAZ-UHFFFAOYSA-N 311.341 1.703 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 7191826 AHPCBBGBTGBTRT-CQSZACIVSA-N 312.373 1.593 0 40 DDAB Cc1cccc2c(CC(=O)N3CCOC[C@H]3CCO)c[nH]c12 92435979 JNMQXZMNTCMBCG-CQSZACIVSA-N 302.374 1.629 0 40 DDAB CC[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1 8852826 JAGOOOHCOSRHKL-VIFPVBQESA-N 322.369 1.685 0 40 DDAB C[C@@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)N1C(=O)CCC1=O 68120166 IEGYXAHEPJXONQ-JTQLQIEISA-N 312.329 1.553 0 40 DDAB C[C@@H](C(=O)N1CCNC(=O)[C@H]1c1cccs1)n1cccn1 81295485 MSSVCDNQHJFKLS-CMPLNLGQSA-N 304.375 1.205 0 40 DDAB COc1ccc(Br)c(C(=O)N(C)[C@H]2CCNC2)c1 71310055 VJTOJNMYUMZYAV-VIFPVBQESA-N 313.195 1.892 0 40 DDAB COCC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007656 KVJGICFYJANVNR-MRVPVSSYSA-N 312.313 1.804 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cnn(CC)c3)CCO2)n1 76045824 LJQYFGDCZPBMHZ-GFCCVEGCSA-N 318.381 1.187 0 40 DDAB Cc1cccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)n1 71795980 WIFGRLYIHOSQBR-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB C[C@H](NC(=O)N1C[C@H]2CC=CC[C@@H]2C1)C(=O)N1CCCCC1 83995727 ZKICDCVPXJKYOH-RRFJBIMHSA-N 305.422 1.995 0 40 DDAB COc1cc(CCNC(=O)NCc2cnn(C)c2)ccc1C 96421476 GUTRSFOVAXBFIZ-UHFFFAOYSA-N 302.378 1.779 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H](C(C)C)n2cncn2)c1 71869873 OIRFVTXRPPSTTK-HUUCEWRRSA-N 316.409 1.671 0 40 DDAB O=C(NCCc1csc(N2CCCC2)n1)NC[C@H]1CCCO1 76066183 KJUKNKDQQUODRO-CYBMUJFWSA-N 324.450 1.764 0 40 DDAB O=C(CCCn1cccn1)N1CCC(Nc2cccnn2)CC1 71863460 VJSBXUNNFPISDN-UHFFFAOYSA-N 314.393 1.556 0 40 DDAB CCn1c(CN(c2ccccc2)S(C)(=O)=O)n[nH]c1=S 19925877 LYLFLFIWAVTDCO-UHFFFAOYSA-N 312.420 1.927 0 40 DDAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)C1(O)CCCC1 96999413 HFOOEMNNXHNDGE-MRXNPFEDSA-N 318.417 1.481 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)CNc2cccc3ccccc23)C1 96969201 XZMIBSNGMLBHBZ-AWEZNQCLSA-N 311.385 1.976 0 40 DDAB O=c1[nH]c(CCN2CCC[C@H]2Cn2cccn2)nc2ccccc12 72268125 NLDMJMLTMWWGEP-AWEZNQCLSA-N 323.400 1.827 0 40 DDAB CCc1ncc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)s1 72269430 BDVHVWKZZPOVPW-VXGBXAGGSA-N 309.435 1.377 0 40 DDAB Cc1csc([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)n1 72298778 HAFJDCUJYHQKEB-LBPRGKRZSA-N 322.434 1.573 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)Nc2cccnc2)no1 72270861 VDAGLEPRKGIDTL-GFCCVEGCSA-N 301.350 1.803 0 40 DDAB COC(=O)CN1CCC(N[C@@H]2CCc3c(OC)cccc32)CC1 97085100 DQIQWPGGYIIMHN-MRXNPFEDSA-N 318.417 1.910 0 40 DDAB CNC(=O)CCOC(=O)c1c[nH]nc1-c1c(F)cccc1F 97147555 YHVUSFTXFVYODD-UHFFFAOYSA-N 309.272 1.648 0 40 DDAB OCC(CO)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 72301686 SVFYWDQOVQLXTK-UHFFFAOYSA-N 314.267 1.323 0 40 DDAB COCCN1CCC[C@H](Nc2nc3ccccc3c(=O)[nH]2)C1 95381572 MIPPRVHQXCBLSS-LBPRGKRZSA-N 302.378 1.446 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@@H]1N1CCOCC1 84736035 WMMGAHRKOHZWIK-ZFWWWQNUSA-N 321.421 1.981 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NC(C)(C)CO)C2)n1 95472893 PIZKAGLAGMYLHY-ZDUSSCGKSA-N 306.410 1.197 0 40 DDAB CC(=O)N1CCC(C(=O)OCc2ccnc(N(C)C)c2)CC1 95469287 NDCVJEGLUVLLDC-UHFFFAOYSA-N 305.378 1.449 0 40 DDAB C[C@H](O)CN(C(=O)NCc1nnc2n1CCC2)C1CCCCC1 95942731 WKABEPXFNPSXRE-LBPRGKRZSA-N 321.425 1.449 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(C(C)C)CC1 74220302 ZVWCQSFWVXRFMY-GFCCVEGCSA-N 304.456 1.887 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H]2CCOC2)c1 89432530 NPIFHOGCCYGUFU-BXUZGUMPSA-N 324.377 1.073 0 40 DDAB CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)CCO1 75127314 LWOMNJOTWQXISW-HUUCEWRRSA-N 306.410 1.194 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCO[C@H]3CCC[C@H]32)c(=O)[nH]1 75122527 QTGRACGTFCPGRW-KGLIPLIRSA-N 305.378 1.455 0 40 DDAB CN1CCN(CC(=O)NCC23CC4C[C@H](CC[C@H](C4)C2)C3)CC1 23109885 XAHBIZKDIFOXBS-GIOYIUAESA-N 319.493 1.957 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N(CCC(=O)O)C1CCCC1 547909117 GLZSTQNQJYIQMG-UHFFFAOYSA-N 315.395 1.435 0 40 DDAB Cc1noc([C@@H](NC(=O)NC[C@@H]2CCCO2)C2CCOCC2)n1 548343059 PCBAHLSCHSBOEY-STQMWFEESA-N 324.381 1.324 0 40 DDAB Nc1cncc(-c2cccc(CN3CCCS3(=O)=O)c2)c1 521398331 OUSKNIYPQWJGGL-UHFFFAOYSA-N 303.387 1.866 0 40 DDAB Cc1nc2ncnn2c(NCC[S@](=O)c2ccccc2)c1C 77220174 LWQAAWQISHJZBX-JOCHJYFZSA-N 315.402 1.961 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@H](O)CN1 37798086 IBBSDRKHRFMDEZ-JQWIXIFHSA-N 313.195 1.130 0 40 DDAB O=C(CC1CCN(c2ncccn2)CC1)NC1CCOCC1 72352814 KKVKZCLLGURAOL-UHFFFAOYSA-N 304.394 1.378 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72238221 FGRVEIQHUIIFQA-WBVHZDCISA-N 316.401 1.763 0 40 DDAB COc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227554 GJEKQFHJPBJSFV-JKSUJKDBSA-N 312.325 1.839 0 40 DDAB Cc1nc(CN2CCN(C(=O)CCc3cccnc3)CC2)no1 79001637 RBMXKGDJUXKSJC-UHFFFAOYSA-N 315.377 1.050 0 40 DDAB CS(=O)(=O)Nc1cnn(-c2cnn(Cc3ccccc3)c2)c1 36621107 HTAXIGXWBUQSGS-UHFFFAOYSA-N 317.374 1.489 0 40 DDAB O=C(c1cccc2nc(O)[nH]c12)N1CCC[C@@H](n2cncn2)C1 557598998 ZQTIOAYYNNKTLX-SNVBAGLBSA-N 312.333 1.337 0 40 DDAB CCn1nc(C)cc1NS(=O)(=O)c1c(C)nn(CC)c1C 72239049 MYAZMGSSPQCWPC-UHFFFAOYSA-N 311.411 1.845 0 40 DDAB Cn1ccc(C(=O)N2CC[C@@H](C(=O)O)[C@H]2c2ccc(F)cc2)n1 72342763 DSGPPUVCCKQBNC-TZMCWYRMSA-N 317.320 1.847 0 40 DDAB O=C(N[C@@H](CO)c1cccnc1)c1cc(-c2ccccc2)[nH]n1 1570463179 ILPXAINGLYYJJA-INIZCTEOSA-N 308.341 1.935 0 40 DDAB O=C(NCc1ccccc1)NCC1(OCCO)CCSCC1 1565519696 MBONAEJWXPNEFH-UHFFFAOYSA-N 324.446 1.761 0 40 DDAB CCCn1c(=O)c2c(ncn2CCCCC(C)=O)n(C)c1=O 39334986 SCWBBXYWLYSKGK-UHFFFAOYSA-N 306.366 1.066 0 40 DDAB in-vitro CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 36718875 DWCSATVZCQRGMX-UHFFFAOYSA-N 312.435 1.920 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 72242205 OFKIUJJSDYUSKX-ZFWWWQNUSA-N 308.353 1.498 0 40 DDAB COC(=O)[C@@H](C)NC(=O)NCCc1ccc(OC)c(OC)c1 15953909 ZCTRXKWAPRSFPY-SNVBAGLBSA-N 310.350 1.107 0 40 DDAB biogenic O=C1CNC(=O)N1CCN[C@@H]1CCC[C@H]1Cc1ccccc1 136300568 KPRXPFNQNHGYDK-LSDHHAIUSA-N 301.390 1.539 0 40 DDAB O=C(Cn1cccc1)NCc1nnc2c(C(F)(F)F)cccn12 225809087 SETQLYKYYIBHKG-UHFFFAOYSA-N 323.278 1.866 0 40 DDAB Cn1c(Cl)nc2cc(C(=O)NCCN3CCOCC3)ccc21 225987898 LSDVDRJIXIHDGL-UHFFFAOYSA-N 322.796 1.289 0 40 DDAB NC(=O)c1cc(N)ccc1N1CCN(c2ccccc2F)CC1 225488966 XNNXTAFNGVWXJX-UHFFFAOYSA-N 314.364 1.833 0 40 DDAB COc1cc(OC)cc(N2CC[C@@H](NCc3ccc[nH]3)C2=O)c1 190776721 VWRRRVDAYZELEU-MRXNPFEDSA-N 315.373 1.927 0 40 DDAB CCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944714 LUEWDAAPEVTEJJ-CYBMUJFWSA-N 316.398 1.722 0 40 DDAB C[C@@H](CNC1CCN(c2nccs2)CC1)CN1CCOCC1 96494471 IAZQLHUYVZKNAZ-AWEZNQCLSA-N 324.494 1.670 0 40 DDAB Fc1cnc(N2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)nc1 96072708 WGJHNABSWDNVTN-IUODEOHRSA-N 316.340 1.256 0 40 DDAB Cn1nc(Cn2ccnc2)c2c1CN(C(=O)Cc1ccccc1)C2 96090996 BTGHWAFPLSALGN-UHFFFAOYSA-N 321.384 1.750 0 40 DDAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccoc3)C2)O1 96063301 DNUBQJUMSMLYRB-GDBMZVCRSA-N 308.378 1.231 0 40 DDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(CC1CC1)C2 96215672 RZACTOFEPLJCID-WMLDXEAASA-N 301.390 1.309 0 40 DDAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccco4)C[C@H]3O2)o1 96216170 BMGCVKGBWSUFMQ-FPMFFAJLSA-N 317.345 1.372 0 40 DDAB CC[C@H](NC(=O)CN(C)S(C)(=O)=O)c1cc(F)ccc1F 96419059 FDXGGDIZHMCHRE-LBPRGKRZSA-N 320.361 1.424 0 40 DDAB CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)NCc1ccnc(C)c1)C[C@@H]3C2 334078099 KNFOYYFFUASAEM-UVPYHEFZSA-N 301.390 1.955 0 40 DDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96249545 JSWUSBWACUGBRD-JKSUJKDBSA-N 324.384 1.454 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccoc1 96201259 VYEOLTBFZPSEII-LBPRGKRZSA-N 311.345 1.938 0 40 DDAB Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)nc1 96186348 HLFWOPSBPVGVGR-HOTGVXAUSA-N 323.400 1.950 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 96413611 JIKRBPDOLZIUJG-MEDUHNTESA-N 310.369 1.986 0 40 DDAB Cc1noc([C@H]2COCCN2CC(=O)Nc2ccccc2)n1 97373627 RZNRGPTYDNBLPZ-CYBMUJFWSA-N 302.334 1.390 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(Cc4cccs4)C[C@H]3C2=O)cn1 248081293 AKJITYWVTHTBGY-IUODEOHRSA-N 316.430 1.967 0 40 DDAB O=C1CCCN1CC[C@@H]1CCOC12CN(Cc1nccs1)C2 248009551 VDUXAADQXBFZDK-CYBMUJFWSA-N 321.446 1.747 0 40 DDAB Cc1cc(-c2cc([C@H]3CCCN3S(C)(=O)=O)ccn2)[nH]n1 257232582 GLNFUYYOLBHIPM-CQSZACIVSA-N 306.391 1.877 0 40 DDAB CC(=O)NCc1cnc([C@@H]2CN(c3cccc(C)n3)CCO2)[nH]1 257283147 OWXDZYGIDKHOHY-AWEZNQCLSA-N 315.377 1.327 0 40 DDAB CN(C)S(=O)(=O)N1CCC(c2cccc3nccn23)CC1 257287147 POSPJBJUPFHCQW-UHFFFAOYSA-N 308.407 1.320 0 40 DDAB COCCN1CCC(Cc2cncc(-c3ccnn3C)n2)CC1 257283774 OZUOFRPZRFDPOZ-UHFFFAOYSA-N 315.421 1.778 0 40 DDAB Cc1cncc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)c1 257338604 YYDWEUQYTRKGBY-INIZCTEOSA-N 314.389 1.719 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[C@@]12CCCO2 257308198 TVURIBVPDFYTBV-RDJZCZTQSA-N 319.357 1.825 0 40 DDAB O=C(O)c1cnc(C(=O)NCCNC2CCCCCC2)cn1 576641693 PEJKYNHJGRNFAQ-UHFFFAOYSA-N 306.366 1.217 0 40 DDAB Cc1nc2ccc(N3C(=O)N[C@H]4CS(=O)(=O)C[C@@H]43)cc2s1 575420525 CLFKJYYJVJBKDC-QWRGUYRKSA-N 323.399 1.300 0 40 DDAB Cc1cccc(CN2CCC[C@](O)(CCC(=O)N(C)C)C2)n1 585276867 SDQLCIQHEKNURE-KRWDZBQOSA-N 305.422 1.585 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2ccc(OC)cc2)Cc2ccnn21 585112774 VGZVISRZOJCBLT-HNNXBMFYSA-N 314.389 1.585 0 40 DDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@@H]3OCC[C@H]32)c1 585108881 BCJMCPSJLZIBKH-XHSDSOJGSA-N 316.401 1.621 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc2c(c1)OCCCO2 44909388 RJYXEZGDPMNPNV-VXGBXAGGSA-N 316.361 1.878 0 40 DDAB COc1ccc(CCCNC(=O)N2CC[C@@H](C(N)=O)C2)cc1 56488935 OXILLIZEJYIWAW-CYBMUJFWSA-N 305.378 1.145 0 40 DDAB NC(=O)[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 55526973 FUMZTURHBXHAOX-AWEZNQCLSA-N 322.361 1.472 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H](Cc3nccn3C)C2)on1 90004056 MADFKTZILOEZPH-CYBMUJFWSA-N 317.393 1.610 0 40 DDAB N[C@@]12CCC[C@H]1CN(C(=O)Cc1ccn(CC(F)(F)F)n1)C2 1580158532 ZPTVUZSBHQRLGV-GXFFZTMASA-N 316.327 1.328 0 40 DDAB COc1cc(Br)ccc1CN[C@@H]1CCC(=O)NC1 96005641 XYIYEAFLUVIGQU-LLVKDONJSA-N 313.195 1.826 0 40 DDAB CCOC(=O)c1nc2cc(OC)c(OCCOC)cc2[nH]c1=O 5615645 MVTHILKBXPAIRE-UHFFFAOYSA-N 322.317 1.134 0 40 DDAB COc1cc(C(=O)Sc2nncn2C)cc(OC)c1OC 5749022 ZSLOXJFYYWIKLJ-UHFFFAOYSA-N 309.347 1.773 0 40 DDAB CC(C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 12220219 KFGHFPOAEAIBMN-ZDUSSCGKSA-N 321.421 1.615 0 40 DDAB O=C(C1CC1)N1[C@H]2CC[C@@H]1Cc1nc(N3CCOCC3)ncc12 13265688 KMJBJYRRXMQQKC-DOMZBBRYSA-N 314.389 1.311 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 225808428 RCOZAKRMOWEYNQ-QWHCGFSZSA-N 303.362 1.821 0 40 DDAB COc1cc(C(N)=O)ccc1OCC(=O)N1CCC(C)CC1 226360730 FWMJHHSQDTWICI-UHFFFAOYSA-N 306.362 1.431 0 40 DDAB CN1CC(=O)NCCCCCOc2ccc(CCCO)cc2C1 643579486 BHWZAGBIVKODCY-UHFFFAOYSA-N 320.433 1.722 0 40 DDAB O=C(NCc1ccnc(N2CCCC2=O)c1)NC1CCOCC1 575609669 ZMQGOPFJIFWTLA-UHFFFAOYSA-N 318.377 1.187 0 40 DDAB COc1ccc(CC(=O)NC[C@H](O)CCSC)cc1OC 1888911963 PXPPTFWACSXYHC-GFCCVEGCSA-N 313.419 1.477 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nc3ccc(Cl)cc3o2)CCO1 1889104397 MHTYCKFSKFEVLI-ZDUSSCGKSA-N 321.764 1.965 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)NC[C@@H](C)c1ccccc1 14093622 SXAFREZQHZUWEN-MNOVXSKESA-N 305.407 1.611 0 40 DDAB O=C(Cn1nc(O)c2ccccc2c1=O)NCCC1CCCC1 31935114 UDWKNTWFEOZYOZ-UHFFFAOYSA-N 315.373 1.799 0 40 DDAB O=S(=O)(NCC1(c2cccs2)CCOCC1)C1CC1 38940145 WLRPTYMYUHAUKL-UHFFFAOYSA-N 301.433 1.878 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)C3(F)CCC3)C2)C1=O 1614929711 HFOCFBUIWGULNO-HNNXBMFYSA-N 312.385 1.366 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)Cc3ccccc3)C2)C1 1565553315 TVXNFPGVKQWHJW-UHFFFAOYSA-N 315.417 1.881 0 40 DDAB COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3)cc(OC)c1OC 6667785 ZSDOTABARBKHBW-SECBINFHSA-N 319.313 1.127 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(OC)cc1 8744019 GYAWUIBBBDYWMK-LBPRGKRZSA-N 318.329 1.217 0 40 DDAB Cc1cc(N)nc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)n1 73090536 BIUCHRDQSUFVPG-ZETCQYMHSA-N 306.399 1.054 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@H]3CCC[C@@H]3O)C2)n1 585603744 IEEVSQQWYLKAHE-KBPBESRZSA-N 305.422 1.386 0 40 DDAB CN(C)[C@H](CNC(=O)c1nccnc1N)c1cccc(F)c1 22766989 KBNRVPIEUSDOPQ-GFCCVEGCSA-N 303.341 1.231 0 40 DDAB C[C@@H](SC(F)(F)F)C(=O)NCCNC(=O)c1ccco1 30844404 MHZOGAHMEAYHOG-SSDOTTSWSA-N 310.297 1.767 0 40 DDAB CC(C)N(C)S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C 40539416 NQUHXCOSIHSEBU-CQSZACIVSA-N 322.434 1.684 0 40 DDAB O=C(O)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 31775903 MDPDYUNAPDOFDL-ZETCQYMHSA-N 315.255 1.444 0 40 DDAB Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(F)cc2)n1 4217945 ZOYZAYWKCXYVGK-UHFFFAOYSA-N 312.308 1.700 0 40 DDAB C[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)c1cccs1 45977946 DPTUVOUAAUNERV-VIFPVBQESA-N 316.390 1.728 0 40 DDAB CC(C)CCn1nnnc1[C@H](C(C)C)N1CCC(C(N)=O)CC1 4875000 ASIINKDXMUDVDD-AWEZNQCLSA-N 322.457 1.614 0 40 DDAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCCCC1 8128531 WGIVXGIMZNAJPP-UHFFFAOYSA-N 307.369 1.709 0 40 DDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCCC1 32895316 XSMCKGXYXJCHOA-UHFFFAOYSA-N 301.368 1.197 0 40 DDAB C[C@H](OCC1CC1)C(=O)N1CCC(Nc2cccnn2)CC1 69658610 JUKPPWDKKBJLRW-LBPRGKRZSA-N 304.394 1.695 0 40 DDAB NC(=O)[C@H]1CCCN1c1ccc2nnc(-c3ccccc3)n2n1 71904058 BCWHBIJGYQRDFK-GFCCVEGCSA-N 308.345 1.245 0 40 DDAB CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N(C)C 22754599 LRUBDDXKDKCGBM-CYBMUJFWSA-N 302.378 1.239 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@H]13)O2 100634598 MCUHIBYSSDHIOM-YRBFXIGRSA-N 313.353 1.845 0 40 DDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)C(C)C 34161787 IBABAURSJXMCQJ-WDEREUQCSA-N 316.398 1.761 0 40 DDAB Cc1ccc(/C=C/C(=O)NCCCN2CCN(C)CC2)cc1 22933765 XGLXGZVOUKWTNA-CMDGGOBGSA-N 301.434 1.762 0 40 DDAB Cc1c(NC(=O)C2CCOCC2)c(=O)n(-c2ccccc2)n1C 24634984 YSJCEQXWUGJWBK-UHFFFAOYSA-N 315.373 1.850 0 40 DDAB Cc1ccccc1OCCCC(=O)N1CCC(C(N)=O)CC1 24926666 RTYPPRNTRRHFPN-UHFFFAOYSA-N 304.390 1.878 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)CC1 37418458 LJSIOCBIICHHBC-UHFFFAOYSA-N 304.412 1.292 0 40 DDAB Cc1cccc(N2CCN(CCN3CCOC3=O)[C@@H](C)C2)n1 106853904 NNTXGLIMAUXRLC-AWEZNQCLSA-N 304.394 1.353 0 40 DDAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(C(N)=O)CC1 25377841 YOEVINKCYDIVPN-ZDUSSCGKSA-N 322.409 1.678 0 40 DDAB COc1cc(-c2noc(CCC(=O)O)n2)c(OC)c2c1OCO2 34929184 QJJONIZUNHLBGU-UHFFFAOYSA-N 322.273 1.500 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@@H](C)C3)CCO2)n1 107055628 JXNBPZLQLBDSHD-BNOWGMLFSA-N 322.409 1.608 0 40 DDAB CCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1 20602597 NFGMGUUYDUBBHO-UHFFFAOYSA-N 319.337 1.315 0 40 DDAB CN(C)c1ccc(CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)cn1 56893690 RAOVKVSPWZRWNP-INIZCTEOSA-N 324.384 1.957 0 40 DDAB C[C@H](c1cccnc1)N1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 107505574 YENIODIGEGUDNM-SUYBPPKGSA-N 316.405 1.795 0 40 DDAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)NCCCC(N)=O 57474929 AMVQKJHQIGPAME-AWEZNQCLSA-N 314.332 1.750 0 40 DDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCCC1 58194103 QCKDEUNZKOJAJE-UHFFFAOYSA-N 308.403 1.906 0 40 DDAB CCc1ccc([C@@H](C)NC(=O)CN2CCCC[C@@H]2C(N)=O)cc1 44871330 CGCDHPPKSVDQFO-CZUORRHYSA-N 317.433 1.766 0 40 DDAB CC(=O)N1CCC(NC(=O)CSc2ccc(O)cc2)CC1 58246743 SRQSUIDDPADBPS-UHFFFAOYSA-N 308.403 1.611 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N(C[C@H]1CCOC1)C1CC1 44940980 XFOHFUCNQHMIOX-SNVBAGLBSA-N 317.311 1.929 0 40 DDAB COCCN1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 58323342 MNGLWLPIHHYTDC-ONEGZZNKSA-N 309.435 1.692 0 40 DDAB CN(C)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 58315827 WGAURLVLOJBBRL-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB CN(C)C(=O)CN(C)c1ccccc1S(=O)(=O)C(F)(F)F 58759710 XGYDPNGXQSTNJW-UHFFFAOYSA-N 324.324 1.505 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1nccs1 27976263 PTDUSAARDGQTDP-SECBINFHSA-N 316.346 1.525 0 40 DDAB CCOC(=O)c1ccc2nc(CCC(=O)O)c(=O)n(CC)c2c1 3268069 RMSGKZWAJGWCSV-UHFFFAOYSA-N 318.329 1.610 0 40 DDAB O=C(COc1ccccc1)NCCCNC(=O)c1cccnc1 12650524 QURLGHRNMFRNKG-UHFFFAOYSA-N 313.357 1.397 0 40 DDAB CCCCn1nnnc1CN1CCC[C@@H]1Cn1nc(C)cc1C 70018843 CUZAGXKJDKQBSC-OAHLLOKOSA-N 317.441 1.951 0 40 DDAB C[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1 3447053 NUFUSNWXMUQUJN-SNVBAGLBSA-N 318.329 1.131 0 40 DDAB Cc1cc(C(=O)OCC(=O)NOCc2ccccc2)n(C)n1 62508465 HTXPFRHCSDCPLS-UHFFFAOYSA-N 303.318 1.133 0 40 DDAB CNC(=O)c1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 12984297 UMYJMSRFZPDTTR-UHFFFAOYSA-N 314.389 1.968 0 40 DDAB COc1ccc(CN(C)C(=O)CN2CCC[C@H]2CO)cc1F 69738753 BNSKIYJCROAPRU-ZDUSSCGKSA-N 310.369 1.249 0 40 DDAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)c1 69708473 ZPJKAWSICLDVHI-UHFFFAOYSA-N 312.285 1.813 0 40 DDAB Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 13571161 FIUJLESAKTXELI-UHFFFAOYSA-N 303.343 1.965 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(-c3ccccn3)no1)C2 69459558 AYPZYKUYPSUCDN-UHFFFAOYSA-N 311.349 1.301 0 40 DDAB CON(C)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 69413825 TYMTVNNMISCERD-UHFFFAOYSA-N 314.407 1.538 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC 6011581 BWMWQLZYGMTQBI-USKTWTLRSA-N 321.329 1.685 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(-n2cccc2)c1 69527815 QHFITHRJKSXVLU-UHFFFAOYSA-N 311.341 1.955 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CC[C@H](c4ccccc4)C3)nc21 65415557 IAMGEYXXNHEMRA-ZDUSSCGKSA-N 309.373 1.646 0 40 DDAB CCN1CCN(CCNC(=O)c2cc(C)n(C(C)(C)C)n2)CC1 65403895 KGECQLOUYAJFPO-UHFFFAOYSA-N 321.469 1.314 0 40 DDAB CCC1CCC(CNC(=O)CN2CCS(=O)(=O)CC2)CC1 65562175 GCUIRDIOTZBMOU-UHFFFAOYSA-N 316.467 1.049 0 40 DDAB CCOC(=O)C1CCN(c2ccnc(C(=O)N(C)C)c2)CC1 65575344 TUBJQMDSSCTZQS-UHFFFAOYSA-N 305.378 1.563 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)Cn1ccnc1 65512359 BNSSCLDOQQRTFF-ZDUSSCGKSA-N 304.442 1.984 0 40 DDAB CC[C@H](C)[C@@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1 69895411 HXHRQVMBVNZIDQ-SWLSCSKDSA-N 317.389 1.484 0 40 DDAB C[C@H](CC[C@@H]1CCCO1)NC(=O)c1cnc2sccn2c1=O 65613288 YSVQFXDSOPSOTN-MNOVXSKESA-N 321.402 1.834 0 40 DDAB CCc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)o1 69948775 PWFBXVPAACCTMS-UHFFFAOYSA-N 300.362 1.985 0 40 DDAB Cc1nc2n(n1)C[C@H](NCC(=O)N(C)Cc1ccc(C)o1)CC2 69976546 GCZQZGWIIPSMQF-CYBMUJFWSA-N 317.393 1.051 0 40 DDAB CC[C@@H](NC(=O)CSc1nnnn1C)c1ccc(C)cc1 6851201 NYEHROVSVNYDHC-GFCCVEGCSA-N 305.407 1.878 0 40 DDAB Cc1cc(Cl)ccc1N(CC(=O)NC(C)C)S(C)(=O)=O 4995777 CHMGLCCDBXGJFH-UHFFFAOYSA-N 318.826 1.939 0 40 DDAB Cc1cc(C(=O)CN2CCC(N3CCO[C@@H](C)C3)CC2)c(C)[nH]1 67400161 LCTSBWLZMRHORD-AWEZNQCLSA-N 319.449 1.999 0 40 DDAB COc1cccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 408617474 ANMQZPWZGXPHIG-WGGGBPLMSA-N 323.348 1.889 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(=O)[nH]n1 9721235 JIEXTPADTMXKSH-UHFFFAOYSA-N 320.736 1.134 0 40 DDAB O=C(c1csc(I)c1)N1CCOCC1 71886364 VEIGDARZJUHONC-UHFFFAOYSA-N 323.155 1.825 0 40 DDAB O=C1CCCN1CCCNC[C@@H]1CCCN1c1cccnn1 71859925 NANCKINMRZXAHE-AWEZNQCLSA-N 303.410 1.048 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)C2 71860285 SGLCJJMZIIFFMH-HUUCEWRRSA-N 323.400 1.992 0 40 DDAB CCc1nnc2n1C[C@H](CN[C@H](C(N)=O)c1ccccc1)CC2 71871887 QFRVVNMOACUOHV-LRDDRELGSA-N 313.405 1.219 0 40 DDAB O[C@H](CNc1nccn2cnnc12)COc1ccc(F)cc1 72289827 CICUIALZQMTDAX-LLVKDONJSA-N 303.297 1.115 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncnn1C 97142565 RINRCZFPXYIKFR-OCCSQVGLSA-N 314.393 1.457 0 40 DDAB COC(=O)c1cn(CC(=O)N[C@H]2CCCc3ccccc32)nn1 78405951 PMKXDKWICYRWTP-ZDUSSCGKSA-N 314.345 1.259 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H]1N(C)C 95402445 XVGUBBATRVSCKV-KFWWJZLASA-N 317.437 1.102 0 40 DDAB C[C@H](C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1 95408432 OEMRPMDWODGYQS-ZETCQYMHSA-N 312.782 1.826 0 40 DDAB CC(=O)c1ccc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 95413852 VZNLTSUEMHUGBK-QWHCGFSZSA-N 305.334 1.044 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cn1 78850256 LOEUJUHYEOKZFS-CQSZACIVSA-N 323.352 1.848 0 40 DDAB CN(C(=O)c1ncn(-c2ccccc2)n1)[C@H](CO)C(C)(C)C 95994023 XZCKSUPBNKPORY-CYBMUJFWSA-N 302.378 1.746 0 40 DDAB O=C(O)c1cccc(C(=O)NCCCOCC2CCOCC2)n1 95969766 HIDMULLNMJYLHJ-UHFFFAOYSA-N 322.361 1.343 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H](c2ncc[nH]2)C1 95972690 WAUHAPFBSPARSF-ZJUUUORDSA-N 304.316 1.656 0 40 DDAB COC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccc2Cl)n1 95989157 JAPKACZUKOYJSA-NSHDSACASA-N 323.780 1.571 0 40 DDAB CNC(=O)c1cccc(C(=O)N[C@@H](CO)Cc2ccccc2)c1 95980996 IVOHDXDTVIKEGK-MRXNPFEDSA-N 312.369 1.380 0 40 DDAB Cc1nnc2n1CCC[C@H]2NC(=O)N(C)CCOCC1CC1 88614139 CDIOOOUKQDJRAG-CYBMUJFWSA-N 307.398 1.489 0 40 DDAB CCc1cc(C(=O)OC[C@H]2CCCN2c2ccc(C)nn2)n[nH]1 89282834 DRGLXACCELZQNL-CYBMUJFWSA-N 315.377 1.896 0 40 DDAB COCCN(CC(=O)O)C(=O)c1oc2ccc(OC)cc2c1C 89568191 QSPOXFJNVOYTLJ-UHFFFAOYSA-N 321.329 1.923 0 40 DDAB CN(C)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409385064 HBRUKNFHNMUOJI-VWPFQQQWSA-N 316.357 1.735 0 40 DDAB Cc1nc2n(c(=O)c1C)CN(CCO)CN2c1ccccc1 38829844 XIXWGAWUQGQIEH-UHFFFAOYSA-N 300.362 1.221 0 40 DDAB C[C@H](CC(=O)N1CCC(c2ccnn2C)CC1)n1ccnc1 517240085 XIBYYJSIGWSOFG-CYBMUJFWSA-N 301.394 1.974 0 40 DDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(O)cc2)c1C 36359285 UFCXXTXFJBTWCN-UHFFFAOYSA-N 316.361 1.480 0 40 DDAB CCn1ncc(CNC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)n1 528085782 ZITJTDIFXJPMCP-TZMCWYRMSA-N 306.414 1.066 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1cnn(Cc2ccccc2)c1 188595048 JTVJLTIQLNRUFU-JKSUJKDBSA-N 315.373 1.040 0 40 DDAB COc1cc(S(=O)(=O)N[C@H]2C=CCCC2)ccc1C(=O)O 566617993 QJESVPFUSJBHCR-JTQLQIEISA-N 311.359 1.780 0 40 DDAB O=C(O)c1c[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)c1=O 78401842 OBYQCZSGGLFZRR-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)CN2CCCC2)c1C 47905207 OIBFERQRXJGXHV-NSHDSACASA-N 321.421 1.880 0 40 DDAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCCO 222756649 QEWQIOBUJJHLQT-AWEZNQCLSA-N 306.406 1.558 0 40 DDAB O=C(NS(=O)(=O)CCc1cccs1)c1cscn1 195579078 NYYWCGKCUZSILO-UHFFFAOYSA-N 302.402 1.507 0 40 DDAB Cc1ccc2nnc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2c1 46087912 QSDUGACDLCLUBH-LBPRGKRZSA-N 319.386 1.197 0 40 DDAB C[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H](C)O1 44944134 YFTRUKPMAHTYKR-QWRGUYRKSA-N 302.396 1.139 0 40 DDAB CCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@@H]1CCNC1=O 570586164 ZLNNCPDHPXBRJG-CYBMUJFWSA-N 315.373 1.267 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccco2)cc1 75156213 QMINUCSKMLWFCK-MRXNPFEDSA-N 303.314 1.704 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(F)cc1C(F)(F)F 195578153 WOBXVWITMFCQHX-CMPLNLGQSA-N 321.270 1.953 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCSC[C@@H]1c1cnn(C)c1 191982699 GNWJFXRETRRIFV-CQSZACIVSA-N 320.418 1.884 0 40 DDAB CCN(CC)C[C@@H]1OC[C@H](NC2Cc3ccccc3C2)[C@H]1O 514288502 GLBNZMKHMLFHFU-OKZBNKHCSA-N 304.434 1.214 0 40 DDAB biogenic,in-vitro Cn1cc(CN2CCc3cnn(C)c3[C@@H]2COCC2CC2)cn1 96197765 CMHKHRBJFJVTDM-INIZCTEOSA-N 315.421 1.680 0 40 DDAB O=C(O)[C@@H]1C[C@@H](N2CCOCC2)CCN1C(=O)c1ccsc1 96198729 IAUNYGXXCPTFJS-STQMWFEESA-N 324.402 1.138 0 40 DDAB CC(C)C(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)N2CCCC2)CC1 96145303 NSOSXCRKLSHYNB-CRAIPNDOSA-N 321.465 1.578 0 40 DDAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccc(N)cc1 96518630 FRVPJRFDQZWMPM-NSHDSACASA-N 320.208 1.997 0 40 DDAB Cn1cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cn1 96469268 ILNIKJIVKVOXIF-UHFFFAOYSA-N 321.280 1.961 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1nnn2cc(C3CC3)ccc12 96267850 HHOLSDUWXIKUKO-CYBMUJFWSA-N 300.362 1.917 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1 96216221 LZBIHZQCYSWQBT-DMDPSCGWSA-N 318.333 1.147 0 40 DDAB CC(C)N1CC[C@@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1 96219009 FDPAPRAWXKAWQM-GXTWGEPZSA-N 302.440 1.100 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCCO1 97953325 ONTVPQLVSGLFIB-BPLDGKMQSA-N 322.430 1.606 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(c3ncccn3)C2)C1 96225522 DPBKIFJVLMJRMV-OAHLLOKOSA-N 303.366 1.069 0 40 DDAB O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@@H]21)c1ccncc1 97953484 HHYNBUMHEFEUMN-BBWFWOEESA-N 315.417 1.701 0 40 DDAB O=C(CCN1CC[C@H](CNc2ccccn2)C1)N1CCOCC1 97200702 CFVMOURAOJXEHC-OAHLLOKOSA-N 318.421 1.064 0 40 DDAB CC(=O)c1c(F)cccc1N1CCC[C@H](NS(C)(=O)=O)C1 97103039 BXEPWWCDLSOJCY-NSHDSACASA-N 314.382 1.546 0 40 DDAB COc1ccc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)nn1 95480544 JBKGJHRAIUQRIX-GFCCVEGCSA-N 322.434 1.277 0 40 DDAB c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCCN3c2ncccn2)nc1 247826208 FWMOMVLOENRPJZ-IHRRRGAJSA-N 313.361 1.329 0 40 DDAB CC(C)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 247981131 HGIAMHHUXCNXLS-ZDUSSCGKSA-N 313.405 1.993 0 40 DDAB O=C(c1ccoc1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247857162 KWQOXOTZGLVHEC-CYBMUJFWSA-N 315.329 1.522 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cncs2)n1 257309686 UBYAWFYFNADGLR-AWEZNQCLSA-N 317.418 1.906 0 40 DDAB CCOc1ccccc1CN1CCN(C)C[C@@H](C(=O)NC)C1 257285250 PGHLTMHSAKRBIA-OAHLLOKOSA-N 305.422 1.195 0 40 DDAB Cc1ccc(CC(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)s1 257248886 JFRFCMDQUKMJHB-IIAWOOMASA-N 308.447 1.703 0 40 DDAB CNC(=O)[C@]1(C)CN(Cc2ccccc2N2CCCC2)CCO1 257312610 UOTVIMCFFYATOA-SFHVURJKSA-N 317.433 1.624 0 40 DDAB COCc1c(C(=O)N2CCC[C@@H](c3ccncn3)C2)noc1C 257340678 ZHDSYSSGQRDPAM-GFCCVEGCSA-N 316.361 1.939 0 40 DDAB C[C@]12CCN(CCO)[C@H]1CCC(=O)N2Cc1ccccc1F 257338574 YYAOIZMUNMMUTJ-RDJZCZTQSA-N 306.381 1.773 0 40 DDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1ncccn1 257287529 PQJCHBUZMIPJBX-CQSZACIVSA-N 312.377 1.553 0 40 DDAB COc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257241856 HZXKOAOQARTSGO-RBSFLKMASA-N 319.405 1.150 0 40 DDAB COCC[C@H](CO)NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 252488879 JBELXUMXHLYKDA-HZSPNIEDSA-N 310.398 1.063 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2cccs2)n1 257251399 JQPQIGYPNMMDCD-JTQLQIEISA-N 313.404 1.542 0 40 DDAB O=C(C[C@@H]1CCCC[C@H]1O)NCCc1cn2ccccc2n1 280736224 JBSHVDBIHWCJEE-DZGCQCFKSA-N 301.390 1.934 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCC2)C1 575403163 DUGWMPHJOYGQAJ-HONMWMINSA-N 302.378 1.091 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2csc(Br)c2)CCO1 43701968 RVZVSLLYCJDFMK-SSDOTTSWSA-N 320.164 1.436 0 40 DDAB COc1ncccc1NC(=O)N1CCN(c2nccs2)CC1 44953569 QCFUJTBAPASCGF-UHFFFAOYSA-N 319.390 1.901 0 40 DDAB COc1ccc(Cl)cc1CN1CCN([C@H](C)C(N)=O)CC1 69515923 TZYDLJVZGYHUFS-LLVKDONJSA-N 311.813 1.340 0 40 DDAB Cn1cc(N2CCC[C@H](NC(=O)Cc3ccccc3O)C2)cn1 98014573 HBXHNFBNGSYCFL-AWEZNQCLSA-N 314.389 1.453 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccn1 5692935 JJNQQBYGGSEEDS-UHFFFAOYSA-N 305.315 1.038 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2ccncc2)oc1=O 12115884 QPPNEKZJARLMOD-TXEJJXNPSA-N 316.361 1.688 0 40 DDAB Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c2cccnc21 13265428 COZCGXOQHBFLAK-UHFFFAOYSA-N 300.293 1.513 0 40 DDAB CC(=O)NCC(=O)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19021273 IIYOTQUWUVOVIA-LBPRGKRZSA-N 306.366 1.179 0 40 DDAB CC(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C 19021436 WOHHYCJVHMQRQR-UHFFFAOYSA-N 304.369 1.887 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CCN(Cc1cccc3nccnc13)C2 19576625 CGDDDRCNKMRRTR-UHFFFAOYSA-N 307.357 1.580 0 40 DDAB OCCN1CCN(C2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 19885670 QYNZLWAIULROHW-LZLYRXPVSA-N 307.482 1.249 0 40 DDAB Cc1nc(CN2CCOC[C@H]2CC(=O)c2cccs2)no1 154452912 VMOMVJGFFHYDLR-LLVKDONJSA-N 307.375 1.913 0 40 DDAB O=C([C@H]1CSCN1)N1CCC(OCCc2ccccc2)CC1 154805522 WDINYWJZSQJQPV-MRXNPFEDSA-N 320.458 1.899 0 40 DDAB CC(C)CNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 17113243 DFKYLPAXZWFUDC-JTQLQIEISA-N 307.419 1.541 0 40 DDAB Cc1ccnc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888847402 AFSKBKPAYWMYIG-GJZGRUSLSA-N 322.368 1.406 0 40 DDAB COc1cnc(N2CC(Cn3cc(Br)cn3)C2)nc1 1889089347 ZIRBIHBKHWJWPZ-UHFFFAOYSA-N 324.182 1.581 0 40 DDAB O=S(=O)(N[C@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 1889130308 CCYYYPGVIUWXJN-AWEZNQCLSA-N 312.410 1.872 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCc1cccnc1N(C)C 32689316 WGFMXNSOFRPUMJ-UHFFFAOYSA-N 301.394 1.357 0 40 DDAB c1ccc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 39175379 DYGRGOLBAFULCZ-UHFFFAOYSA-N 306.373 1.989 0 40 DDAB CCn1nccc1C(=O)N1CC[C@H]2C[C@]21C(=O)NC1CCC1 2056225380 PEXRLUPXOBAZPT-MEDUHNTESA-N 302.378 1.176 0 40 DDAB COC1(CC(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)CCC1 1565545395 HOUBLBRJEFUGRM-HZPDHXFCSA-N 324.465 1.903 0 40 DDAB O=C(NCCCN1CCCC1=O)C(=O)c1c[nH]c2ccccc12 4163182 VZJDSOARBQRBBT-UHFFFAOYSA-N 313.357 1.479 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1 4956617 JUFMGOOYDOWDGO-UHFFFAOYSA-N 323.399 1.883 0 40 DDAB COc1cc2[nH]c(O)c(C(=O)NC(C)C)c(=O)c2cc1OC 8994886 OIELNZAWGPHMFX-UHFFFAOYSA-N 306.318 1.389 0 40 DDAB biogenic CN(CC(=O)NCCc1ccccn1)C(=O)c1cccs1 40073991 DPOQEGIQHJENIM-UHFFFAOYSA-N 303.387 1.574 0 40 DDAB COCCn1cc(NC(=O)CNC(=O)c2ccc(F)cc2)cn1 40139434 MNMOJWZFCOKUTF-UHFFFAOYSA-N 320.324 1.037 0 40 DDAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCS(=O)(=O)C1 40477544 ISMKHIKYELZFPQ-LBPRGKRZSA-N 322.361 1.599 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)CCc1nc(C(C)(C)C)no1 31398603 RBLDMVPARSPMJH-LLVKDONJSA-N 305.382 1.701 0 40 DDAB COc1ccc(N2C[C@H](C(=O)N3CCSCC3)CC2=O)cc1 40542179 CCVFOZFZKLUSFT-GFCCVEGCSA-N 320.414 1.624 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)c2cccnc2Cl)cn1 7871552 ZLUAWTXFRHTFSM-UHFFFAOYSA-N 318.764 1.598 0 40 DDAB CCOC(=O)[C@@H]1[C@@H](C)[C@H](C(=O)OCC)N(C(=O)OCC)[C@@H]1C 1697147 CORUWIWKNKXWHI-DDHJBXDOSA-N 315.366 1.594 0 40 DDAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)C1CC1 4105914 VELSNBIKDDNVQI-NRFANRHFSA-N 301.371 1.983 0 40 DDAB NC(=O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4755449 SGQOBPHGKYGBLA-OZVVPTBGSA-N 316.744 1.750 0 40 DDAB Cc1ccc(CC(=O)NS(=O)(=O)C[C@@H]2CCCCO2)cc1 69658448 NBAONWWZTQVNCS-AWEZNQCLSA-N 311.403 1.553 0 40 DDAB CCONC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 32845265 VUKXVSJOTFHGHG-UHFFFAOYSA-N 322.386 1.528 0 40 DDAB COc1cc(CNC(=O)CCNc2ncccn2)ccc1O 52638961 LNQFUAQPPBFJRD-UHFFFAOYSA-N 302.334 1.309 0 40 DDAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC 541749 NCFNBHAYTAMZCY-UHFFFAOYSA-N 321.402 1.415 0 40 DDAB CC(C)(C)c1ccc(-c2nnc(SCC(N)=O)n2N)cc1 523942 JHTDUCPQFGIIFX-UHFFFAOYSA-N 305.407 1.534 0 40 DDAB C[C@H](OC(=O)c1cc(Cl)cn1C)C(=O)NC(=O)NC1CC1 22003316 BYNBYXCVCMKBFY-ZETCQYMHSA-N 313.741 1.212 0 40 DDAB O=C1[C@@H](Nc2ncnc3[nH]cnc23)CCCN1c1ccccc1 71907740 IUGZNHHVYPKKOW-LBPRGKRZSA-N 308.345 1.960 0 40 DDAB CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O 71908340 NFYKMYGYGGSFRD-BXKDBHETSA-N 302.371 1.145 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1oc2ccc(F)cc2c1C 8544046 YSXMTCDUBYCOLO-UHFFFAOYSA-N 308.265 1.493 0 40 DDAB CS(=O)(=O)CCNC(=O)c1cc(C2CC2)nc2ccccc12 42093008 AKOHZWDJSZBAJU-UHFFFAOYSA-N 318.398 1.887 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccs1 22857886 IKLSFFWURNQRKS-NSHDSACASA-N 308.384 1.353 0 40 DDAB COCCN1CCCC2(CCN(C(=O)c3ccoc3)CC2)C1=O 108530710 PSUJCMSBQKQODY-UHFFFAOYSA-N 320.389 1.771 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2cccnc2)no1 12391181 GMOORHDLWDXFNP-UHFFFAOYSA-N 324.296 1.790 0 40 DDAB CNC(=O)C1CCN(C(=O)CCc2cccc(OC)c2)CC1 23195673 YMCPEPUAMJHLOC-UHFFFAOYSA-N 304.390 1.612 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)O 37417944 LAJYSIHLPJVKJT-LURJTMIESA-N 313.253 1.337 0 40 DDAB C[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC1CC1 23344828 GNHASWQBRQIFFY-GFCCVEGCSA-N 313.357 1.625 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 23409023 HVSVJKJMVMYOJB-HZPDHXFCSA-N 304.390 1.043 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Cn2cncn2)cc1 24479670 FGWWQZWLXPPFJI-UHFFFAOYSA-N 310.361 1.332 0 40 DDAB CC[C@@H]1CN(c2nc(C)cc(N(C)C)n2)CCN1C[C@H](C)O 106906100 YRPCXCIUJZBLCR-UONOGXRCSA-N 307.442 1.132 0 40 DDAB O=C(CNc1ccccc1OC1CCCC1)N1CCNC1=O 55874009 HMKHFVGTHJOYDZ-UHFFFAOYSA-N 303.362 1.972 0 40 DDAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 107075176 LRIXQSYFHHEDHC-UMVBOHGHSA-N 307.438 1.375 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cn1ncc2ccccc21 107135899 AQJICIKCEPMITR-INIZCTEOSA-N 320.352 1.480 0 40 DDAB COc1ccc(-n2cc(C(=O)N3CCSCC3)nn2)cc1 57511666 RMFVWPIWXVMQMZ-UHFFFAOYSA-N 304.375 1.465 0 40 DDAB COc1c(CN[C@H]2CCCN(c3ncccn3)C2)c(C)nn1C 58298942 QQYCFCVBSIGZTE-ZDUSSCGKSA-N 316.409 1.286 0 40 DDAB O=C(CCc1ccco1)Nc1cc(-n2cnnn2)ccc1F 58227449 QKQCILKHGVVCNU-UHFFFAOYSA-N 301.281 1.966 0 40 DDAB Cc1c(C(=O)N(C)CC(N)=O)cnn1-c1ccc(Cl)cc1 44941619 OXPZMNZZTRQKBM-UHFFFAOYSA-N 306.753 1.391 0 40 DDAB Cc1c(C(=O)NCCCN2CCOCC2)[nH]c2c1C(=O)CCC2 44998255 GWTPLVXNWZBPMO-UHFFFAOYSA-N 319.405 1.294 0 40 DDAB Cc1c([C@@H](C)NC(=O)NCCNc2ccccn2)cnn1C 44945065 CVGIJJVWBLSNEB-LLVKDONJSA-N 302.382 1.596 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H]2COc3ccccc3C2)no1 45081368 OWRSEINBCZQFFW-NSHDSACASA-N 315.329 1.289 0 40 DDAB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)N1CCOCC1 58407721 LRXUTXVIALWLNO-NTYUQYKDSA-N 306.337 1.202 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@H](C)OC[C@@H]3C)cnc12 45448667 VMASKRQTMWJIKF-STQMWFEESA-N 315.373 1.341 0 40 DDAB C[C@@H](CNC(=O)NC[C@@H]1CCOC1)N1CCc2sccc2C1 48261229 HIZAEDARLFATNU-STQMWFEESA-N 323.462 1.830 0 40 DDAB C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1ccco1 12973003 NLGGHSKQKZCLAA-CQSZACIVSA-N 314.389 1.674 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 48920185 FKACUQVDVWROHQ-LBPRGKRZSA-N 317.794 1.409 0 40 DDAB CCN(C(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1)c1ccccc1 8235000 WVNHGWPIVLKKOC-UONOGXRCSA-N 304.390 1.923 0 40 DDAB Cn1c(SCCNS(C)(=O)=O)nc2cc(Cl)ccc21 70039231 RPMHNGQMZGHLKV-UHFFFAOYSA-N 319.839 1.868 0 40 DDAB COc1ccc(CCCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 70037322 PCQUJHZFORUMOR-OAHLLOKOSA-N 320.433 1.543 0 40 DDAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCCn2ncnc21 69351686 MWBCSDOTMDAXPS-QPJJXVBHSA-N 320.356 1.914 0 40 DDAB NC(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1 6078954 LLEXLKOQNRXJSE-UHFFFAOYSA-N 313.309 1.325 0 40 DDAB O=C(O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 39595694 ISTMZIFNQQCIIZ-UHFFFAOYSA-N 310.309 1.567 0 40 DDAB CCCn1c(C)c(C)n2c3c(=O)n(CC)c(=O)n(C)c3nc12 4314421 OPTKKZRVSWQRLQ-UHFFFAOYSA-N 303.366 1.196 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1C 14095151 BAFCMAYUKMGSHF-UHFFFAOYSA-N 315.417 1.796 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2nccn2C)c1 65592555 DLHYSWFLVRAMSS-FZMZJTMJSA-N 312.373 1.945 0 40 DDAB CC(C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 65592466 AOJKUPZCLWKUHT-UHFFFAOYSA-N 324.855 1.842 0 40 DDAB CC(C)C(=O)N1CCCN(S(=O)(=O)c2cccs2)CC1 65553631 RBBZOEHTSQFQOM-UHFFFAOYSA-N 316.448 1.627 0 40 DDAB O=C(CN1CCSC1=O)NC[C@H](O)c1cccc(Cl)c1 65610538 HTELFTMWULGZCU-NSHDSACASA-N 314.794 1.658 0 40 DDAB Nc1ncnc2c1nc(SCCO)n2Cc1ccccc1 4614393 DSSTWRWIDRINTO-UHFFFAOYSA-N 301.375 1.541 0 40 DDAB CC1=NN(C(=O)[C@@H](C)n2nccc2C)[C@](O)(C(F)(F)F)C1 6790025 LAKZOKDEJPQXQG-MWLCHTKSSA-N 304.272 1.612 0 40 DDAB COCCN(Cc1ccnc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 66493427 UZAVMLJWQGVAKQ-GFCCVEGCSA-N 318.826 1.371 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975714 WVEGOFVQSZNTGH-CYBMUJFWSA-N 304.390 1.958 0 40 DDAB COCc1nc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cs1 69951666 UZQWLPPBUASVQN-OLZOCXBDSA-N 309.435 1.988 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 7400757 WTEYOFMJUQDCCQ-OAHLLOKOSA-N 321.764 1.999 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H](O)c1ccccc1 8764710 IYQULQWTPTVWFG-INIZCTEOSA-N 323.352 1.246 0 40 DDAB biogenic C[C@H](NC(=O)N1CCC[C@@H](c2nncn2C)C1)c1cccnc1 89910038 NIXXXGFIFWDUBT-GXTWGEPZSA-N 314.393 1.860 0 40 DDAB COCCN1CCO[C@H](c2noc(-c3ccc(OC)cc3)n2)C1 96000280 RXZDWGNUWXLSHA-AWEZNQCLSA-N 319.361 1.765 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]2C1 9304232 AWCLBMAXDNHSNA-UWVGGRQHSA-N 302.808 1.200 0 40 DDAB CC1(C)NC(=O)N(CCCS(=O)(=O)c2ccccc2)C1=O 71819402 VGJAZEAIWDBPQD-UHFFFAOYSA-N 310.375 1.181 0 40 DDAB c1ncn(C[C@@H]2CCCCN2Cc2nc(-c3ccoc3)no2)n1 71876467 CUELAIBKHPXESG-ZDUSSCGKSA-N 314.349 1.976 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)C[C@@H](C)n3cccc3)CCO2)n1 83829849 RATOUKILRAQMJR-OLZOCXBDSA-N 317.393 1.720 0 40 DDAB CC[C@@H](OC1CCCC1)C(=O)N1CCN(c2nccn2C)CC1 76084253 GASGYOBWBOISHB-OAHLLOKOSA-N 320.437 1.807 0 40 DDAB COc1c([C@@H]2CCCN2C[C@H](O)Cn2cccn2)c(C)nn1C 72267595 GZBJFMDFFJSZKI-KBPBESRZSA-N 319.409 1.132 0 40 DDAB c1ccc(Cn2ccnc2CNC[C@@H]2CCc3nncn3C2)cc1 72252912 QWOWOWZOLKVIHA-INIZCTEOSA-N 322.416 1.875 0 40 DDAB CCOC[C@H](C)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97084589 OUYFTLSBVPLREZ-ZDUSSCGKSA-N 312.435 1.758 0 40 DDAB CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ncccc1O 97165508 JPFYMGSCFJUDRW-SNVBAGLBSA-N 301.350 1.767 0 40 DDAB CCCCN(CC(N)=O)C(=O)Cn1cnc(-c2ccccc2)n1 97230107 HZNQNTJATJJACZ-UHFFFAOYSA-N 315.377 1.059 0 40 DDAB O=C1NCCN(C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccs1 78933222 YQLUUZVSXUTISA-JQWIXIFHSA-N 309.391 1.110 0 40 DDAB CCC(C)(C)NC(=O)C[S@@](=O)Cc1cccc(C(N)=O)c1 84721081 LKWVHMIZDJRODZ-OAQYLSRUSA-N 310.419 1.339 0 40 DDAB O=C(N[C@H](C(=O)O)c1ccccc1)[C@H]1CC(=O)N(CC2CC2)C1 95427758 KOOHGJYLDZFEFA-ZFWWWQNUSA-N 316.357 1.187 0 40 DDAB Cc1ccc2c(COC(=O)C(C)(CO)CO)cc(=O)oc2c1C 95444023 BXUKCJRKVJHALH-UHFFFAOYSA-N 320.341 1.444 0 40 DDAB CNC(=O)COc1ccc(S(=O)(=O)NCCC(C)C)cc1 95446962 SUJVGGRYYPOMDE-UHFFFAOYSA-N 314.407 1.136 0 40 DDAB O=S(=O)(NC[C@H]1CCC[C@H]1O)c1cc(F)c(F)c(F)c1 95441175 OIDQCYGFFDAXGM-RDDDGLTNSA-N 309.309 1.543 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@@H](c1nccs1)C1CC1 79005167 UOXPBAHLXRVFEB-GXFFZTMASA-N 320.418 1.657 0 40 DDAB C[C@H](C(=O)N1CCCC1)N1CCN(CCC(F)(F)F)CC1 88593412 JRYOFVOXTICWCM-GFCCVEGCSA-N 307.360 1.567 0 40 DDAB COc1ncc(C)cc1NC(=O)N[C@H]1CCc2[nH]ncc2C1 95975277 DDDXRFWVWCCNMY-NSHDSACASA-N 301.350 1.801 0 40 DDAB COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(Br)o2)C1 74497700 YOOPLQHCEYOWJT-LLVKDONJSA-N 320.114 1.769 0 40 DDAB O=C(NCC(F)(F)F)[C@@H]1CCC[C@H]1C(=O)NCC(F)(F)F 89598005 TZHQJEUCLWEAQA-RNFRBKRXSA-N 320.233 1.760 0 40 DDAB CCNS(=O)(=O)CCNC(=O)C1(Cc2ccccc2)CC1 75108271 CCNBOCRPMZVGIS-UHFFFAOYSA-N 310.419 1.065 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 32624376 UYZFADHGZSBQLH-CYBMUJFWSA-N 322.324 1.693 0 40 DDAB Cc1cc2c(NCCC(=O)NCCCN(C)C)ncnc2s1 31868861 TUBSREYSKKEKER-UHFFFAOYSA-N 321.450 1.870 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 194967 CFICVVRLSTXIIU-AWEZNQCLSA-N 318.329 1.995 0 40 DDAB biogenic COCCNC(=O)[C@@H](OC(=O)c1cccs1)c1ccncc1 35315700 KLWRAAIBHMPXIA-ZDUSSCGKSA-N 320.370 1.804 0 40 DDAB COC[C@@H]1CCN(C(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 528541730 IYNNKGJOKLSSDD-BXUZGUMPSA-N 303.362 1.228 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1cc(Cl)nc(N2CCCC2)c1 79034403 KYIZVQLQGFTVTM-NSHDSACASA-N 322.796 1.344 0 40 DDAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCS(N)(=O)=O)cc1 77613160 LFIOKERLITZDSF-KBPBESRZSA-N 310.419 1.318 0 40 DDAB NC(=O)COc1cccc(NC(=O)COCC(F)(F)F)c1 32930966 YSIYGQZPVCAWPT-UHFFFAOYSA-N 306.240 1.068 0 40 DDAB CC(=O)N1CC[C@@H](CNC(=O)c2cccnc2OCC(C)C)C1 564078882 NVJXYCZWXIQBJU-AWEZNQCLSA-N 319.405 1.715 0 40 DDAB Cc1noc(CNC(=O)CN(C)c2nc3ccccc3s2)n1 70973031 PJPYHSKYEVAUPN-UHFFFAOYSA-N 317.374 1.740 0 40 DDAB CCCS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 40162418 VMHVYTFOMGNZHK-CYBMUJFWSA-N 310.375 1.493 0 40 DDAB CC1(C)[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)[C@H]1C(=O)O 71282672 BATUTGLUDJGLDN-WQAKAFBOSA-N 305.330 1.299 0 40 DDAB Cc1nc(-c2ccc(C(=O)NC[C@H]3CNCCO3)cc2)cs1 565769230 KDAVRKASCBGOQG-CQSZACIVSA-N 317.414 1.837 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@H](Oc2cccnn2)C1 225411091 DZXBQEIPAWHQFF-AWEZNQCLSA-N 313.357 1.844 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H]1C[C@@H](O)[C@@H](CO)C1 85468369 AXEQWABOWAWPIU-IJLUTSLNSA-N 321.402 1.104 0 40 DDAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)oc1CC 570168959 KOEBMPDNXITQQH-LLVKDONJSA-N 317.393 1.923 0 40 DDAB COc1cccc(OC)c1C(=O)NCCSc1ncn[nH]1 222956386 QWQRVEMUXCNOJL-UHFFFAOYSA-N 308.363 1.344 0 40 DDAB O=C1CNc2ncnc(Nc3cccc(Cn4cccn4)c3)c2N1 41121509 MHRKSGWQVIUNRG-UHFFFAOYSA-N 321.344 1.829 0 40 DDAB CC(C)CCN1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 96001810 VNPCTESGRPMAJG-ZDUSSCGKSA-N 305.382 1.890 0 40 DDAB CCc1cnc(N2CC[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)nc1 96249845 QHIPJPDHBFLUEV-HUUCEWRRSA-N 304.394 1.113 0 40 DDAB COCC(=O)N1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12 96241373 JEUKFBXGWVFYOB-UHFFFAOYSA-N 316.401 1.868 0 40 DDAB COC(=O)[C@@H](O)C1CCN(CCN(C)c2ccccc2)CC1 96483400 HAEXBUSOFIZZPI-INIZCTEOSA-N 306.406 1.369 0 40 DDAB CC(C)c1nccn1CC(=O)N[C@@H](C)C(=O)N1CCCCC1 96500033 QFAZPPMNABYTEJ-ZDUSSCGKSA-N 306.410 1.524 0 40 DDAB O=C(C1CC1)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96222613 FINSKSUQVSBFMO-CJNGLKHVSA-N 303.362 1.416 0 40 DDAB CCC[C@@H](NC(=O)c1ccc(Br)o1)c1nnn[nH]1 96459595 HWBOOPNZCGZRMX-ZCFIWIBFSA-N 314.143 1.826 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccco3)CCO2)C1 96049740 AURTYGVIPSRDMJ-INIZCTEOSA-N 308.378 1.231 0 40 DDAB Cn1cc(CN2Cc3c(cnn3C)[C@@H](COCC3CC3)C2)cn1 96044637 HBILMVLEHUUPKS-OAHLLOKOSA-N 315.421 1.680 0 40 DDAB c1csc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)n1 96188614 ZEWGPFXGSKJJAE-LBPRGKRZSA-N 315.406 1.263 0 40 DDAB Cc1ccc(NCc2cn3c(n2)CN([C@@H]2CCOC2)CC3)nn1 96197531 UUHRCKDBSVSVJP-CQSZACIVSA-N 314.393 1.198 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCC4)O[C@H]3C2)nn1 96043228 OYPZYFFGLAQLTQ-CFVMTHIKSA-N 316.405 1.438 0 40 DDAB C[C@H](C(=O)N(C)[C@H](C)Cc1ccc(O)cc1)N1CCN(C)CC1 97374919 FUHDJLYRFKNJKU-HUUCEWRRSA-N 319.449 1.418 0 40 DDAB C[C@H](CNc1ncnc(-n2cccn2)c1N)CN1CCCC1 97104571 DPZKAFZLYCIOPE-GFCCVEGCSA-N 301.398 1.388 0 40 DDAB c1cnn(Cc2cn3c(n2)CN(CC2CCOCC2)CC3)c1 96059437 AJBAQLGMZWLNQU-UHFFFAOYSA-N 301.394 1.370 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1(CN)COC 242688161 VIEAGEMYHAWIPR-MCIONIFRSA-N 301.383 1.318 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn21 247953093 NAAQVRHPAMQBCW-CYBMUJFWSA-N 318.402 1.207 0 40 DDAB C[C@@H]1NCCn2cc(CC(=O)NCCc3cccs3)nc21 247961905 OSQXDBRYEIHRLB-NSHDSACASA-N 304.419 1.510 0 40 DDAB C[C@]12CCCN(C(=O)CN3CCCCC3)[C@H]1CCCC(=O)N2 257214183 CKXQGQPLGCTECP-YOEHRIQHSA-N 307.438 1.522 0 40 DDAB COCCC(=O)N1CCC[C@H]1c1cncc(-c2nc(C)c[nH]2)n1 257229299 FXNZZHJABJGVIC-AWEZNQCLSA-N 315.377 1.875 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(CCOc3ccccc3)CCO2)n1 257246951 IWRSAIODIHDVMH-HNNXBMFYSA-N 315.373 1.943 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2nccn2C(C)C)CCO1 257307838 TUIMGRHBBOSFMU-CYBMUJFWSA-N 316.409 1.869 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 257254776 KEQFAYSUCIIFEF-AWEZNQCLSA-N 319.405 1.928 0 40 DDAB NC(=O)CN1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccn1 257313793 UUEBOPXCWVDWGB-HUUCEWRRSA-N 316.405 1.026 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2cc(C)no2)O1 252509720 YTYHCZWQDLFZIL-WGBDABJCSA-N 308.334 1.307 0 40 DDAB Cn1nc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)c2ccccc21 263255219 UBAXVQKZAJSPMZ-MRXNPFEDSA-N 301.346 1.439 0 40 DDAB O=C(Cn1ccc2ccccc21)Nc1cc(-n2cncn2)ncn1 96098003 SIOIXMDORHIGMW-UHFFFAOYSA-N 319.328 1.651 0 40 DDAB O=C(/C=C/c1ccco1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122045 OAXQSBIGKYCFEP-AATRIKPKSA-N 321.354 1.712 0 40 DDAB Cc1nc2ccccn2c1CC(=O)N[C@@H](C)CN1CCOCC1 585171871 JVAIDJGADAUESD-ZDUSSCGKSA-N 316.405 1.022 0 40 DDAB OC[C@]1(Cc2ccccc2F)CN(Cc2cncnc2)CCO1 585277787 XXQIGUYHYNXQTB-KRWDZBQOSA-N 317.364 1.422 0 40 DDAB COC[C@@H]1CN(C)C2(C1)CN(S(=O)(=O)c1cccc(C)c1)C2 585093740 BGLQVOYNJSKQSN-AWEZNQCLSA-N 324.446 1.336 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccc(F)cc1 585094970 XPQLROXFPRYYFE-CQSZACIVSA-N 317.364 1.702 0 40 DDAB CO[C@@]1(CCC(=O)N(C)C)CCCN(Cc2c[nH]nc2C)C1 585276067 LPZBNZBZGBSZCJ-MRXNPFEDSA-N 308.426 1.568 0 40 DDAB CCc1ccccc1S(=O)(=O)NCCCc1nncn1C 585141684 FDNKLQQIFQBHJS-UHFFFAOYSA-N 308.407 1.289 0 40 DDAB C[C@@H]1Cc2cc(S(=O)(=O)NC3CC(C(=O)O)C3)ccc2O1 871637419 FBEYTLUOHUNVIA-MFAVDMRSSA-N 311.359 1.152 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H]1C1CCCC1 56034543 SBSKKNCUSXIBGW-AWEZNQCLSA-N 319.405 1.485 0 40 DDAB CN1CCN(C[C@H](NC(=O)N2CCCC2)c2ccccc2)CC1 69222906 JKGACSRJYZMDQM-KRWDZBQOSA-N 316.449 1.781 0 40 DDAB C[C@]1([C@@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O 72300723 IXWZTEUDGAZPDQ-IAQYHMDHSA-N 307.419 1.601 0 40 DDAB C[C@H]1CN(C(=O)Cn2cc(Nc3nccs3)cn2)C[C@@H](C)O1 892673955 KHGWJCSYXOTCDN-PHIMTYICSA-N 321.406 1.719 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc1 96098178 BXZDDBQEMJHOEA-UHFFFAOYSA-N 310.419 1.402 0 40 DDAB O=C1CN2CCNC[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594471 DDVJCTZRGYSDMP-INIZCTEOSA-N 323.396 1.958 0 40 DDAB C[C@@H](O)c1ccc2c(c1)OCCOCCOCCOCCO2 5211670 XXKHOINVWSXOSG-CYBMUJFWSA-N 312.362 1.561 0 40 DDAB Cn1ccnc1C1(O)CCN(C(=O)c2cccc(F)c2)CC1 12114443 LGGJMGGKYMJXSM-UHFFFAOYSA-N 303.337 1.683 0 40 DDAB CCCCNC(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O 12182709 WWMJXSBDBPQUNW-UHFFFAOYSA-N 304.350 1.310 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 15789816 KKSGHNVYHZGLMK-UHFFFAOYSA-N 322.361 1.664 0 40 DDAB OCC[C@H]1CN2CCC[C@H]2CN1CC1=Cc2ccccc2OC1 19375123 DRDMVAYTNIFCJE-ROUUACIJSA-N 314.429 1.993 0 40 DDAB COc1ccc(CN(Cc2ncc[nH]2)C[C@@H](C)O)cc1OC 19455997 QBIUMJFRPRZFSH-GFCCVEGCSA-N 305.378 1.810 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3ncc(F)cn3)CC2)n1 1888842555 JXDMDKKZGNIRFC-UHFFFAOYSA-N 317.372 1.107 0 40 DDAB CSc1nc(N2CC[C@@](F)(C(N)=O)C2)cc(C(C)(C)C)n1 1888849800 NGTFKRHDEFUIKA-AWEZNQCLSA-N 312.414 1.900 0 40 DDAB Cc1nnc(N2CCN(c3cc(N(C)C)ncn3)CC2)s1 1888899176 SBCMQMYODGFSHO-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB COc1ccccc1C(=O)N1CC[C@@]2(COCC(=O)N(C)C2)C1 2037985774 VXKLPAUUBOTPKL-KRWDZBQOSA-N 318.373 1.016 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)CCc1ccccc1F)C2 1073421614 ABKCHYDRIHLNRA-UHFFFAOYSA-N 320.408 1.939 0 40 DDAB Cc1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)s1 2087139275 CQNKWIXNMKLXGF-UHFFFAOYSA-N 315.464 1.844 0 40 DDAB CCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)C)cn1 1565548606 GDDGLMIYOMPHBF-JKSUJKDBSA-N 303.406 1.578 0 40 DDAB CCCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 5252382 ARQGECYLEITBGV-UHFFFAOYSA-N 303.362 1.450 0 40 DDAB COc1ccnc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C 9571613 CQWKYYITYCDKGX-UHFFFAOYSA-N 315.304 1.291 0 40 DDAB COc1ccc(C)cc1NC(=O)NCCn1ncccc1=O 23237037 AZMFUMVPBIUVOU-UHFFFAOYSA-N 302.334 1.382 0 40 DDAB Cc1cc(OC2CCN(C(=O)c3ccoc3)CC2)cc(=O)n1C 575610639 MHGTUCIXOCDFHA-UHFFFAOYSA-N 316.357 1.970 0 40 DDAB COC(=O)C1CCN(C(=O)C(=O)c2c[nH]c3ccccc23)CC1 4163038 YDPWQWSWHJQZTG-UHFFFAOYSA-N 314.341 1.762 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=O)CSc1ncn[nH]1 215678455 USYYCKAFFJHHNV-UHFFFAOYSA-N 308.319 1.242 0 40 DDAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CCS(=O)(=O)C1 40466519 JDLAEBUOEFHYTH-JTQLQIEISA-N 323.399 1.578 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(Cn2cncn2)cc1 11558770 CTUQLJMGUWEKAY-UHFFFAOYSA-N 318.340 1.877 0 40 DDAB O=C(c1cc[nH]n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 40513704 ATEPRPRDHUCSOX-UHFFFAOYSA-N 312.373 1.303 0 40 DDAB CCc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)o1 40511100 KCVKTCFETKCJRI-SNVBAGLBSA-N 322.386 1.980 0 40 DDAB C[C@@H](CNC(=O)NCc1ccccc1)CN1CCN(C)CC1 40554355 GDWCPXLZSXPCNF-HNNXBMFYSA-N 304.438 1.369 0 40 DDAB Cn1c(=O)c2nc(NCc3ccccc3)sc2n(C)c1=O 1646428 SQLHMVJHKRXZLY-UHFFFAOYSA-N 302.359 1.306 0 40 DDAB CS(=O)(=O)N[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 1695758 QZNMKLUUSKXLDR-HOCLYGCPSA-N 317.366 1.921 0 40 DDAB COC(=O)C1=CCCCCCC(N2CCOCC2)=C1C(=O)OC 1762100 BRYAUEIWKBLXLF-UHFFFAOYSA-N 323.389 1.809 0 40 DDAB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1 3522155 FTHSIXJUTGSYFB-SNVBAGLBSA-N 308.334 1.462 0 40 DDAB CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(OC)n2)C1 4967440 FNWVYHYOJUGYRN-YPMHNXCESA-N 306.410 1.925 0 40 DDAB CC(C)N(CC(N)=O)CC(=O)NC[C@@H]1CCCc2ccccc21 51966330 ZEVFCYFBTAJLQR-HNNXBMFYSA-N 317.433 1.418 0 40 DDAB Cc1nc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)sc1C 32722138 MCNNCOHXZUEZCG-UHFFFAOYSA-N 310.379 1.419 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 41132655 UAUYPCZHWGQAKC-JTQLQIEISA-N 316.279 1.462 0 40 DDAB Cc1ccccc1SCC(=O)NCC1(C(N)=O)CCOCC1 32912085 QOIWFFODQABNJH-UHFFFAOYSA-N 322.430 1.485 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 32918317 QTEZQGDDQMIAQB-UHFFFAOYSA-N 318.204 1.930 0 40 DDAB Cc1cccc([C@@H](CC(=O)NC[C@@H]2CCOC2)NC(N)=O)c1 41365752 CWQJHGLWGZTVQT-GXTWGEPZSA-N 305.378 1.247 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2sccc2C)NC(=O)N[C@]1(O)C(F)(F)F 102829297 HFTMWFJZNYYHAM-VHSKPIJISA-N 322.308 1.867 0 40 DDAB COC(=O)CN(CC(=O)NCC1CC1)Cc1ccccc1Cl 52864703 JKTXTPQTEKKUIL-UHFFFAOYSA-N 324.808 1.841 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)cc1 33212354 WUSSSAIUQAMPFF-CQSZACIVSA-N 313.361 1.008 0 40 DDAB CCN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CC(=O)NC1=O 103399430 GZHATOUHMMHPAP-LLVKDONJSA-N 312.728 1.285 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@@H]2CCC[C@H]21 53372506 PDFZPAMEEMVHDK-ZIAGYGMSSA-N 303.358 1.780 0 40 DDAB C[C@@H](OC(=O)c1cccnc1)C(=O)NC(=O)Nc1ccccc1 22195560 PDWAOICVGSXPFE-LLVKDONJSA-N 313.313 1.975 0 40 DDAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cc[nH]n1 55624589 WQVJKNHRVDXRLT-UHFFFAOYSA-N 308.341 1.550 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 37376997 BAIJOJWBDARVOD-JTQLQIEISA-N 301.339 1.619 0 40 DDAB C[S@@](=O)c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 24997589 AOPKQWDQQZARIF-NRFANRHFSA-N 309.387 1.403 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3cscn3)CC2)n1 55438772 AENAMTYFNBQDBP-UHFFFAOYSA-N 319.434 1.301 0 40 DDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C)nn2C)c1 67484350 KEDGLBMTVVKTGV-UHFFFAOYSA-N 323.374 1.480 0 40 DDAB Cc1ccccc1OC[C@H](C)NC(=O)N[C@@H](C)c1nncn1C 56861577 MJKWPXCOJZKSBR-STQMWFEESA-N 317.393 1.951 0 40 DDAB CCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@H]1CCS(=O)(=O)C1 82313146 MGOHNULJIWNHPG-JTQLQIEISA-N 324.377 1.956 0 40 DDAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NC(=O)c1cccnc1 67890270 NNJSOIMHSKCGQS-DOMZBBRYSA-N 315.373 1.949 0 40 DDAB biogenic,in-vitro CN1CCC(N(C(=O)c2cccnc2)C2CCN(C)CC2)CC1 28628037 XOFFMMYYDGJDSI-UHFFFAOYSA-N 316.449 1.712 0 40 DDAB CC(=O)N1CCN(CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 10051648 NDWCLXHZHPAWBB-AWEZNQCLSA-N 315.417 1.518 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 44871460 HFMUTMPUNUULML-QMMMGPOBSA-N 305.758 1.325 0 40 DDAB CC[C@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58266543 HCJHAJPIVMZZDN-AWEZNQCLSA-N 303.406 1.498 0 40 DDAB O=C(NCCNC(=O)N1CC[C@@H](c2ccccc2)C1)C1CC1 58290954 QELORUKAFHRVDC-OAHLLOKOSA-N 301.390 1.712 0 40 DDAB CCc1ccc(O)c(C(=O)NCc2cccnc2-n2cncn2)c1 58289416 UCMBMVJDNNKDEH-UHFFFAOYSA-N 323.356 1.860 0 40 DDAB COC[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2)cc1OC 44970012 JAMWROBGYHYPFB-GFCCVEGCSA-N 303.362 1.988 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)OCC(F)(F)F 44980510 DRFUPUOTEFNQEG-UHFFFAOYSA-N 319.283 1.707 0 40 DDAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)C(=O)N1CCOCC1 58379878 BGCWTRAHDRNTJL-CYBMUJFWSA-N 304.390 1.328 0 40 DDAB c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CCNC3)nc1 306125190 CIOMOXDUAKJLAK-AEFFLSMTSA-N 301.434 1.920 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1C 27939754 MSUNFCRLGJCDDM-JTQLQIEISA-N 303.380 1.325 0 40 DDAB CS(=O)(=O)Nc1ccccc1CNC(=O)CCc1ccco1 36392309 WCRDPSLHRFNLBS-UHFFFAOYSA-N 322.386 1.900 0 40 DDAB COc1ccc(CCN(C)C(=O)[C@H](C)n2cncn2)cc1OC 45239808 KKWVRVNQWROXTA-LBPRGKRZSA-N 318.377 1.557 0 40 DDAB O=C1CN(C(=O)Cc2csc(Cc3ccccc3)n2)CCN1 48118859 PZXIZBAZRGVJCF-UHFFFAOYSA-N 315.398 1.235 0 40 DDAB OCCN1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 69773042 NHEMBCDLBZSPBC-AWEZNQCLSA-N 318.339 1.349 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1 22829963 CJJCUNVVAXEEOC-MRXNPFEDSA-N 319.449 1.516 0 40 DDAB CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 12794363 AZZAZMODHIBWFK-GHMZBOCLSA-N 318.373 1.570 0 40 DDAB COc1cccc(C(=O)O[C@H](C(N)=O)c2ccccc2)c1O 48263275 LMBZTXNJUGPHFQ-AWEZNQCLSA-N 301.298 1.784 0 40 DDAB O=C1CC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CN1 48226448 NHFDLPNMCBYBHK-QMMMGPOBSA-N 317.267 1.487 0 40 DDAB C[C@H](OC(=O)c1nccnc1N)C(=O)N1CCc2ccccc21 8232192 HWWORNVJUIVCBM-JTQLQIEISA-N 312.329 1.193 0 40 DDAB O=c1[nH]c2c(Br)cc(Br)cc2[n+](=O)[nH]1 70461099 KHOHRZUIBPQFFV-UHFFFAOYSA-O 321.936 1.296 0 40 DDAB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)N1CCNC1=O 12996956 QAHPZKDHTASJKZ-SECBINFHSA-N 323.422 1.570 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O 3597293 DVSCOHLPXGMZRP-JSGCOSHPSA-N 317.389 1.830 0 40 DDAB Cn1cc(CCC(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)cn1 69461229 DAZYHRWGNMCILX-UHFFFAOYSA-N 317.370 1.749 0 40 DDAB COc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1 4192030 AGCXEVKTJDFEIW-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)c(Cl)c1 13718820 KGHZNTGZXYGARS-JTQLQIEISA-N 305.725 1.762 0 40 DDAB CCn1cc(CN2CCCN(C(=O)c3ccc[nH]3)CC2)cn1 69560081 QEEGXOJPQDLUFE-UHFFFAOYSA-N 301.394 1.579 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1nc(C3CC3)no1)C2=O 69509585 WNFKKDUVKXVVBJ-RFAUZJTJSA-N 304.350 1.948 0 40 DDAB CNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 4498539 DEGQARZILCNVNN-UHFFFAOYSA-N 324.446 1.759 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69902567 YWNKKJHQLAFLAQ-LBPRGKRZSA-N 302.378 1.092 0 40 DDAB CCN1CCC[C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 65530991 ZHTXKWLTADAEEN-JTQLQIEISA-N 318.343 1.901 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H](O)COc1ccc(F)cc1 69901292 AZPMMXPNULQLHL-DYEKYZERSA-N 310.369 1.151 0 40 DDAB CCOC(=O)C1=C(CN(C)CC)NC(=O)N[C@@H]1c1ccco1 65622425 HBBPGGHZGUZZHO-CYBMUJFWSA-N 307.350 1.402 0 40 DDAB NC(=O)NC(=O)CSc1nnc(NC2CCCCC2)s1 6513402 AUAYMNHVISXTKJ-UHFFFAOYSA-N 315.424 1.570 0 40 DDAB NC(=O)NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 8705585 VCJKVQMXHNVEQZ-UHFFFAOYSA-N 300.362 1.542 0 40 DDAB O=C(CSc1cn[nH]n1)Nc1ccc(Br)cn1 4945293 LISQKOIEJCCZBE-UHFFFAOYSA-N 314.168 1.693 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1CCN1CCCc2ccccc21 90529910 AJZPMNNIGMZZKW-ZBFHGGJFSA-N 304.390 1.047 0 40 DDAB COC[C@H](O)CNC(=O)c1sc(-c2ccsc2)nc1C 71264693 UZFGQKXTVXUNAA-SNVBAGLBSA-N 312.416 1.917 0 40 DDAB O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CC(O)C1 89821297 BLTQTPMGMALSKL-UHFFFAOYSA-N 318.764 1.615 0 40 DDAB O=C1CC[C@@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)N1 96456437 MIZGRRMCUPBKSZ-HOTGVXAUSA-N 316.401 1.515 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)nc2)CC1 96426667 GYTZONHDNIGEBY-CMPLNLGQSA-N 307.781 1.675 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)n(C)n1 71818694 WLOKCFUGDFKZME-UHFFFAOYSA-N 317.393 1.291 0 40 DDAB COCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 71847613 RHDVMJXNPKRESS-UHFFFAOYSA-N 318.299 1.181 0 40 DDAB CC1CCN(C[C@@H](O)Cn2cnc3ccsc3c2=O)CC1 71825063 WSKZXTBQYAGVEJ-GFCCVEGCSA-N 307.419 1.551 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)C1 71870373 GZYDXMHOJNILHX-JYJNAYRXSA-N 307.438 1.330 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCCS(=O)(=O)C(F)(F)F)c1 71882215 MOZLDSZDICJQNS-NXEZZACHSA-N 313.345 1.665 0 40 DDAB CC(C)CCO[C@H](C)C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76052475 QKWGIICDHFUHJE-BZUAXINKSA-N 312.454 1.617 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@H]1NCc1ccc(-n2cccn2)cc1 97033290 WFZFHKTZNFPJFU-CVEARBPZSA-N 319.430 1.928 0 40 DDAB O=C(CNC(=O)c1cc(F)c(O)c(F)c1)NCc1ccccc1 97140285 OOZFOKAPVGBCRS-UHFFFAOYSA-N 320.295 1.717 0 40 DDAB COC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccco1 97110614 NNOHZIZNMBEEKF-STQMWFEESA-N 304.350 1.096 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[C@@H](O)C1 97136115 PBRUJRVONZVWIZ-NEPJUHHUSA-N 302.296 1.936 0 40 DDAB COC[C@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 97110598 GLVTVAACGBMRGY-OLZOCXBDSA-N 316.423 1.228 0 40 DDAB O[C@@H](CN1CCC[C@H](c2noc(C3CC3)n2)C1)Cn1cccn1 78890735 YTYRCINYZINBIY-KBPBESRZSA-N 317.393 1.384 0 40 DDAB Cc1cc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)on1 78880128 AEEQRMIAIFVLOM-LBPRGKRZSA-N 311.363 1.748 0 40 DDAB C[C@H](CNC(=O)N1CCC[C@H](CO)C1)N(C)c1ccccc1 79272802 RPCZCPMKGUDKDI-CABCVRRESA-N 305.422 1.925 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN2C(=O)NC[C@H]2C1 95439721 HIIPDZXKDRQAPC-FZMZJTMJSA-N 321.808 1.755 0 40 DDAB OC[C@@H](O)CN(CCC(F)(F)F)Cc1ccncc1Cl 84867565 BEBZJRNIOCJNET-JTQLQIEISA-N 312.719 1.843 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCOCC1CC1 88480307 ICSPGUZLFXZZII-ZDUSSCGKSA-N 321.425 1.791 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)c1cccc(-n2ccnc2)n1 95993019 NCDGXWXOSYXKDS-QFIPXVFZSA-N 320.418 1.544 0 40 DDAB CCOc1ncccc1CNC1=NS(=O)(=O)c2ccccc21 74271515 KXXFNLCUAVULHI-UHFFFAOYSA-N 317.370 1.719 0 40 DDAB CSC[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78122020 DLHFQDPKPOCSRI-UKRRQHHQSA-N 308.447 1.755 0 40 DDAB CN(CCC[C@@H]1CCCO1)Cc1cnc2c(C(=O)O)cnn2c1 534660274 CLLDDFIBGMTTQP-CYBMUJFWSA-N 318.377 1.819 0 40 DDAB COc1cc(NC(=O)CCN2CCOCC2)c2ncccc2c1 31601688 MHAKWBMLSXOZRB-UHFFFAOYSA-N 315.373 1.904 0 40 DDAB O=C(CN1CCC(C(=O)O)CC1)NC1C2CC3CC(C2)CC1C3 566221094 OZPNGZXZSBFXES-UHFFFAOYSA-N 320.433 1.724 0 40 DDAB Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H](C)CO)c1 187580964 VYRJTZRROUXGBI-SECBINFHSA-N 322.224 1.759 0 40 DDAB O=C(O)CCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 218793315 VYTWNUSXHDJGOI-UHFFFAOYSA-N 302.330 1.976 0 40 DDAB O=C(CN1CSCC1=O)Nc1nc2c(s1)CCCCC2 44894794 DVGSTOMQKGSNRK-UHFFFAOYSA-N 311.432 1.883 0 40 DDAB C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H](C)O1 45617540 BOFKZTMSKKUBGD-UXLLHSPISA-N 319.449 1.515 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)c2cnccn2)cc1 225437218 GWUGGKUTGDXTCU-UHFFFAOYSA-N 321.358 1.478 0 40 DDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H]1CCNC1 568286873 ITCANYZHCSSZCP-JTQLQIEISA-N 304.316 1.083 0 40 DDAB CCS[C@H]1CCCC[C@@H]1NCC(=O)NC1CCOCC1 195571199 LBMNJVQDOVETMV-KBPBESRZSA-N 300.468 1.936 0 40 DDAB Cn1nc(C(=O)N2CCCC2)cc1NC(=O)c1cccs1 40745965 LVAZMCGVTHWTAH-UHFFFAOYSA-N 304.375 1.970 0 40 DDAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223634590 AIUPFBKVXRAXFP-CABCVRRESA-N 316.430 1.775 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]1C(F)(F)F 528512158 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COC(C)(C)C(=O)NCCCn1c(=O)c(C)nc2ccccc21 96495244 ZDXRGFHNWBRWHB-UHFFFAOYSA-N 317.389 1.636 0 40 DDAB O=C(NC[C@H]1Cn2nnc(-c3ccccc3)c2CO1)c1ccc[nH]1 96069424 LDYNYAHUCDZQLL-ZDUSSCGKSA-N 323.356 1.602 0 40 DDAB COc1cccc2c1CCN(C(=O)N[C@@H](C)Cn1cncn1)C2 96501270 HAGKFSDXTUEZNG-LBPRGKRZSA-N 315.377 1.443 0 40 DDAB Cn1ncc(N2CC[C@]3(CCOC3)C2)c(Br)c1=O 95410706 CCPMYSIHWGHGQA-LBPRGKRZSA-N 314.183 1.160 0 40 DDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)NC4CC4)C[C@@H]3C2=O)c1 96245279 YQLSNBRXAOTBSX-ZBFHGGJFSA-N 313.401 1.757 0 40 DDAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95479165 JQYQVRYVFQHJCS-NSHDSACASA-N 324.340 1.825 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccc1 96186233 LWRFHGKTMWLNOH-HZPDHXFCSA-N 316.401 1.467 0 40 DDAB CCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 244317776 XGNWHEUOQZBFNR-UHFFFAOYSA-N 318.826 1.941 0 40 DDAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1cccs1)C2 248044937 WHHCMGDULQSEIV-CYBMUJFWSA-N 324.446 1.586 0 40 DDAB CCn1cc(C(=O)N2CCO[C@@H](c3ccncc3)C2)c(C)n1 257263229 LOYWFSVTLNOUQZ-OAHLLOKOSA-N 300.362 1.820 0 40 DDAB Cc1cc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)nc(C)n1 257319054 VQLYMRQFVREOAE-HNNXBMFYSA-N 304.394 1.089 0 40 DDAB CC[C@@H](NC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21)c1nccs1 375596051 FTRXNFIEIGTIDU-IJLUTSLNSA-N 322.434 1.856 0 40 DDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575402713 FYVKXHUFDMSAFO-AWEZNQCLSA-N 320.433 1.807 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 575405417 SIZJHHSIKLZEPI-INIZCTEOSA-N 315.373 1.457 0 40 DDAB CNC(=O)C[C@@H]1C[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2O1 585109382 MFUKQZNLZLGHEY-KCQAQPDRSA-N 302.374 1.361 0 40 DDAB c1ccc(-n2nnnc2CNCc2ccc3c(c2)OCCO3)cc1 69161917 XYSYJJLKXCHYGN-UHFFFAOYSA-N 323.356 1.723 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69629681 VUJZRLCYPZANPV-QKKBWIMNSA-N 308.447 1.594 0 40 DDAB CC(=O)N1CCC[C@H]1c1nccnc1NC1CCN(C)CC1 72365437 RGLLRIKUGKSPOA-AWEZNQCLSA-N 303.410 1.666 0 40 DDAB O=C1CC[C@@H](COC(=O)c2c[nH]nc2-c2ccc(F)cc2)N1 97147530 GGTZQPMPZRFDGK-NSHDSACASA-N 303.293 1.651 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 71144675 DUHUBKDGDSKCMT-LLVKDONJSA-N 302.827 1.878 0 40 DDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC2CCCC2)nn1 1549160288 COJNRDMRSCRTRH-GZBFAFLISA-N 308.426 1.236 0 40 DDAB CCCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580404 XVXMBMGOYOWURM-UHFFFAOYSA-N 310.419 1.929 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(F)cc1)CS2 15940747 XCQSUZCJMZCWOJ-XJKSGUPXSA-N 322.405 1.938 0 40 DDAB COc1cc(NC(=S)NCCCO)cc(OC)c1OC 17024963 ZMJATBPMFHUHCO-UHFFFAOYSA-N 300.380 1.381 0 40 DDAB O=C(NC[C@H]1CCCN(C(=O)c2cc[nH]n2)C1)c1ccco1 19342172 SERDIBCQTCAFDJ-LLVKDONJSA-N 302.334 1.285 0 40 DDAB CN(CCN1CCCCC1)C(=O)Cn1cnc2ccccc21 19657555 CDNRMXYHNKQCGI-UHFFFAOYSA-N 300.406 1.981 0 40 DDAB Cc1cc(N2CCC(CNC(=O)c3cn(C)nn3)CC2)ccn1 253396058 CZAHBAAGZSTCPU-UHFFFAOYSA-N 314.393 1.165 0 40 DDAB COc1nn(C)cc1C(=O)N1CCCN([C@@H]2CCSC2)CC1 1888834218 COMCMOKXSQUWAS-GFCCVEGCSA-N 324.450 1.082 0 40 DDAB CNC(=O)Cc1csc(NC(=O)c2cc(C3CC3)ncn2)n1 1888864261 CAIWZLOWBSQPAZ-UHFFFAOYSA-N 317.374 1.351 0 40 DDAB c1ccc(N2C[C@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)cc1 1888897829 FZSGQBZGJREJST-BETUJISGSA-N 306.373 1.926 0 40 DDAB Cc1ccnc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 1889101118 PJZKCYLIMJKCAB-UHFFFAOYSA-N 317.437 1.166 0 40 DDAB COC(=O)c1snc(C(=O)NCc2cccc(OC)c2)c1N 33268023 ZDTBRYHSGSHBJT-UHFFFAOYSA-N 321.358 1.451 0 40 DDAB COc1ncccc1C(=O)N[C@H](Cn1nccn1)c1ccccc1 253406029 UCMMDVGQXMWBJN-OAHLLOKOSA-N 323.356 1.853 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)C1CC(F)(F)C1)CC2 2055734761 STKAQKZVVRNFLH-JTQLQIEISA-N 313.348 1.755 0 40 DDAB CCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713853 RRESCYKEZREUCA-CYBMUJFWSA-N 318.421 1.454 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1C(C)C 2055798684 ZSGMQDADWVYXDI-AWEZNQCLSA-N 320.437 1.761 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@@H]3CCCC[C@@H]3O)C2)n1 585603673 FSNULKXHHFJVHJ-CABCVRRESA-N 319.449 1.776 0 40 DDAB Cc1ccnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n1 2298042981 KCGFUPDVFNHJES-UHFFFAOYSA-N 314.393 1.399 0 40 DDAB C[C@H](NS(=O)(=O)N1CCOCC1)c1ccc(F)c(F)c1 40488215 QCQPKOHLQJNHSI-VIFPVBQESA-N 306.334 1.192 0 40 DDAB O=C(CCCNC(=O)C1CC1)NCCOc1ccc(F)cc1 30863555 WQGAAZFMGJUKSG-UHFFFAOYSA-N 308.353 1.627 0 40 DDAB CC(C)Oc1ccc(CCNC(=O)CCn2cncn2)cc1 31292379 FTBWEHIRXIRCAU-UHFFFAOYSA-N 302.378 1.814 0 40 DDAB Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 2620351 OAUYUKKIJDKCBO-UHFFFAOYSA-N 322.375 1.021 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 220461 MDXJRRVXLAYWDZ-OAHLLOKOSA-N 312.369 1.987 0 40 DDAB O=[N+]([O-])C(=C1NCCCN1)C(SCCO)=C(Cl)Cl 4301276 OBEDBCOMLZWWIG-UHFFFAOYSA-N 314.194 1.387 0 40 DDAB O=C1CCC(=O)N1CCSC(=S)N1CCSCC1 4857443 YTOMHXQCBCNQOF-UHFFFAOYSA-N 304.462 1.202 0 40 DDAB Cc1sc(C(=O)NC2CCCC2)cc1S(=O)(=O)N(C)C 6679574 IRZDVEBPFRBGQR-UHFFFAOYSA-N 316.448 1.979 0 40 DDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1 7688170 XZSYQFLAXBGVGJ-LLVKDONJSA-N 314.407 1.278 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cn1 32764906 GQPQDGFXQSFHPG-UHFFFAOYSA-N 324.340 1.694 0 40 DDAB C[C@H](CO)CNC(=O)NCCc1cc(F)cc2c1OCOC2 54536557 XKXOGUGUTALZDY-JTQLQIEISA-N 312.341 1.162 0 40 DDAB Cc1nc(CN2CCC3(CC2)CC(NS(C)(=O)=O)C3)c[nH]1 108526663 BVHVCJSTBQLXDM-UHFFFAOYSA-N 312.439 1.012 0 40 DDAB CCOC(=O)N1CCN(C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 103209696 ODIYRIJZPRHYRT-UPJWGTAASA-N 311.451 1.824 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)[C@@H](C)CO1 46437613 ABZODCVTIFUXCS-RYUDHWBXSA-N 316.361 1.700 0 40 DDAB CCc1noc([C@@H](C)N2CCN(Cc3cccnc3)CC2)n1 69625631 LLDUWIMRXLWBNQ-CYBMUJFWSA-N 301.394 1.906 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCCOc1c(C)cccc1C 47024219 HDVXTTIZMCVVCR-HNNXBMFYSA-N 304.390 1.809 0 40 DDAB C[C@@H](OC(=O)C1=C(Cl)CCCC1)C(=O)N1CCNC1=O 54754795 BVIYLXSJQHPLJY-MRVPVSSYSA-N 300.742 1.537 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1=O 108533602 ZVXKKQJTGUNRMI-JJRVBVJISA-N 308.422 1.520 0 40 DDAB O=C(NCCn1ccnc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 43311063 ZVKHUXVAANHVRC-GASCZTMLSA-N 322.409 1.253 0 40 DDAB Cc1ncsc1CN1C[C@H](C(=O)NCC2CC2)[C@H]2OCC[C@H]21 108533234 GECKRPVBKDSXLG-GZBFAFLISA-N 321.446 1.567 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)no1 25136221 LPUALWQTRPLYNQ-UHFFFAOYSA-N 322.386 1.800 0 40 DDAB NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 61883892 QJAZIGXHHPRWEY-CPCISQLKSA-N 308.325 1.510 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263391 CNLDPMYUQRZYTP-GVDBMIGSSA-N 302.418 1.843 0 40 DDAB C[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)c1ccccn1 56127539 UVIQGHHBEGVBCP-SNVBAGLBSA-N 311.349 1.062 0 40 DDAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 35107008 UJTZZMXZKMYPQN-UHFFFAOYSA-N 317.216 1.672 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@H]2CN(CC(C)C)CCO2)no1 43820889 CQUDEFTWSASQLB-HNNXBMFYSA-N 324.425 1.481 0 40 DDAB Cc1noc(C2CCN(Cc3cc(=O)n4nccc4[nH]3)CC2)n1 108855423 WGXQJZSRHYYDCD-UHFFFAOYSA-N 314.349 1.094 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)CNC(=O)c1cc(C)cc(C)c1 58087398 UIIIRMHWNVLSIE-LBPRGKRZSA-N 306.362 1.101 0 40 DDAB COc1ccccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 58178244 WFGSQDRNKWENBE-CQSZACIVSA-N 324.446 1.944 0 40 DDAB CC(=O)N1CCCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 44966388 NQLHCYLQTJUSRH-CQSZACIVSA-N 322.409 1.146 0 40 DDAB C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)[C@@H]1CCCO1 27889069 AGPWMSGIZXBBLL-WFASDCNBSA-N 317.389 1.414 0 40 DDAB O[C@H](CNC[C@H]1CNc2ccnn2C1)COc1ccc(F)cc1 58315960 QQMSTVBAIYFMEN-GXTWGEPZSA-N 320.368 1.093 0 40 DDAB COc1cc(F)c(S(=O)(=O)N[C@H](C)C2CC2)cc1OC 27976960 WZGBAMFSWMISPS-MRVPVSSYSA-N 303.355 1.920 0 40 DDAB CC[C@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)CCO1 28036361 YYTMMSBRQVGCQC-ZDUSSCGKSA-N 323.418 1.477 0 40 DDAB O=S(=O)(CCCOn1nnc2ccccc21)c1ccccc1 58439137 HXVXVKBIRMNXGK-UHFFFAOYSA-N 317.370 1.724 0 40 DDAB O=C([C@@H]1CCCN1Cc1nc2ccccc2o1)N1CCOCC1 58439756 DZUIIVWLNSCGPV-AWEZNQCLSA-N 315.373 1.651 0 40 DDAB C[C@@H](NS(=O)(=O)CCn1cnc2ccccc21)[C@H]1CCCO1 28327772 KGSPTHUKYFQYIQ-IUODEOHRSA-N 323.418 1.523 0 40 DDAB COc1ccc(OCCCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 7777181 ZRPBXAJGYZVDJZ-CYBMUJFWSA-N 320.389 1.578 0 40 DDAB CCc1nnc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)s1 12921281 DDKJPLFDJVQPEL-UHFFFAOYSA-N 307.379 1.372 0 40 DDAB C[C@@H](NCC(=O)NCCc1ccsc1)[C@@H](C)n1cccn1 69741344 WVTNJTUXBWMZHF-CHWSQXEVSA-N 306.435 1.843 0 40 DDAB COc1cccc(-n2c(C)cc3c(c2=O)C(=S)NC3=O)c1 6008883 RTOZWHMDWOVYJT-UHFFFAOYSA-N 300.339 1.573 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccnc1 65390772 PORQHSJXOLZHQU-LBPRGKRZSA-N 312.395 1.017 0 40 DDAB NC(=O)NC(=O)COC(=O)CSc1ccc2c(c1)CCC2 5267460 KKMXWGJAJUPLFE-UHFFFAOYSA-N 308.359 1.006 0 40 DDAB C[C@@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)n1cccn1 65449788 MOSWNCNQKCHXHI-STQMWFEESA-N 300.366 1.019 0 40 DDAB COc1ccc(-n2ccc(C(=O)NCCN(C)C3CC3)n2)cc1 65430423 STZUELSVEUKNOH-UHFFFAOYSA-N 314.389 1.705 0 40 DDAB O=C(C1=Cc2ccccc2OC1)N1CCN(c2cnccn2)CC1 65423765 CQOFQJYCHAULBH-UHFFFAOYSA-N 322.368 1.601 0 40 DDAB CCOCCN1CCN(Cc2nc(C3CC3)no2)C[C@@H]1CC 69840613 SWBIBBCDSTYLSC-AWEZNQCLSA-N 308.426 1.880 0 40 DDAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)NC(=O)NC1CCCC1 14161440 CPCFMHZTSPIROJ-JTQLQIEISA-N 320.345 1.706 0 40 DDAB CCOC(=O)N1CCN(C[C@H](O)COc2cccc(C)c2)CC1 23230543 FEIBIKYPLZOHHB-HNNXBMFYSA-N 322.405 1.509 0 40 DDAB COc1ccc(CCN2C[C@@H](C(=O)N(C)C)CC2=O)cc1OC 6550242 GCKIQBUCPDGKDU-ZDUSSCGKSA-N 320.389 1.183 0 40 DDAB COc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 3882482 ROLKPLJIYRQHNY-JFILPPLUSA-N 301.298 1.066 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CN)C1 70177212 LRURGLUHXPQSIZ-XJFOESAGSA-N 303.472 1.268 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1cc[nH]n1 69452503 OSBXZASAXUYOAR-UHFFFAOYSA-N 324.344 1.435 0 40 DDAB CC[C@@](C)(O)CNC(=O)Nc1cccc(CN(C)C(C)=O)c1 66159340 HWEVIRPODOYVLE-MRXNPFEDSA-N 307.394 1.947 0 40 DDAB CN1CCO[C@H](CN[C@H](C(=O)N2CCCC2)c2ccccc2)C1 69493078 AIKXJEADPSWXGY-SJORKVTESA-N 317.433 1.270 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(C2CC2)CC1 69418001 AAQZRKCJENZQDC-WBMJQRKESA-N 302.374 1.522 0 40 DDAB Cc1noc([C@H](C)N2CCN(CCCN3CCCC3=O)CC2)n1 69414719 ITGBRAQDKQSCTB-ZDUSSCGKSA-N 321.425 1.069 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCN(C2CC2)C1 67542821 NYHLWRSVZROPGJ-GFCCVEGCSA-N 303.362 1.451 0 40 DDAB NC(=O)[C@H]1CCCCN1C(=O)CSc1nc2ccccc2[nH]1 7221244 HKYSCFAGXHCZNH-GFCCVEGCSA-N 318.402 1.521 0 40 DDAB Cc1cc(N2CCN(c3nc(C)cs3)[C@H](C)C2)nc(N)n1 69928565 MCJXBRZVDXAHQZ-LLVKDONJSA-N 304.423 1.847 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccc1 9690886 GVRRHXCYEXZPPU-UHFFFAOYSA-N 300.362 1.088 0 40 DDAB CCCCN(C)S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 96006769 PIALBGHTJIXVCY-QWHCGFSZSA-N 318.439 1.033 0 40 DDAB CN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCS(=O)(=O)C1 9367892 IXKMARUMQHFTSU-OAHLLOKOSA-N 318.398 1.736 0 40 DDAB C[C@@H](CCc1ccccc1)CC(=O)N[C@]1(C(N)=O)CCCOC1 89895690 XKNSPNWAKOVGMQ-KBXCAEBGSA-N 318.417 1.796 0 40 DDAB Cc1[nH]ncc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 75469337 AMQQFCUIOVWUFQ-UHFFFAOYSA-N 312.373 1.753 0 40 DDAB CC(C)=CCN1CCC(NC(=O)N[C@](C)(CO)C2CC2)CC1 96475248 OXVUMFITEUNABF-QGZVFWFLSA-N 309.454 1.877 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)sc1C 72297504 JBELXNDZFWDYML-CHWSQXEVSA-N 310.419 1.881 0 40 DDAB CCc1nnc2n1C[C@H](CN[C@@H](C(N)=O)c1ccccc1)CC2 71871889 QFRVVNMOACUOHV-BLLLJJGKSA-N 313.405 1.219 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(C(F)(F)F)nc1 71829676 DMKBYODRXBSAGX-WCBMZHEXSA-N 315.295 1.826 0 40 DDAB O=C1C[C@H](C(=O)N2CCc3cnccc32)CN1CC(F)(F)F 72288288 WOSIDOJRHJINFP-JTQLQIEISA-N 313.279 1.382 0 40 DDAB CN(Cc1nc2c(F)cccc2[nH]1)C[C@@H]1CCS(=O)(=O)C1 72294007 ZLPRLVRRIQHJHU-JTQLQIEISA-N 311.382 1.569 0 40 DDAB CCN(CC)C1CCN(C(=O)CNC(=O)c2cccs2)CC1 72287135 GHQZKZLXZBYICH-UHFFFAOYSA-N 323.462 1.811 0 40 DDAB Cn1cc(CN2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)cn1 72279824 JJQSGLQTJNDBEF-INIZCTEOSA-N 320.437 1.414 0 40 DDAB Cc1ccc(-n2[nH]c(C(=O)Nc3ncccc3O)cc2=O)cc1 97085044 BUAQZQWWXCOOIA-UHFFFAOYSA-N 310.313 1.827 0 40 DDAB CC(=O)NCC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 84290989 BLPHTCMIKWEXOM-NSHDSACASA-N 300.362 1.494 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc2c(s1)CCC2 89919980 VORWURGUWWBAIK-NXEZZACHSA-N 313.444 1.884 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 89910242 NKMPXKHNXDWAPU-HACGYAERSA-N 316.405 1.795 0 40 DDAB CCC(CC)c1cc(C(=O)NC2CCS(=O)(=O)CC2)on1 72304054 IGZQGHLIJYLYKX-UHFFFAOYSA-N 314.407 1.885 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1Cc1ccc(-n2cccn2)nc1 97232021 MYUKLAXYZZLIQM-ZDUSSCGKSA-N 311.345 1.584 0 40 DDAB Cc1c([C@H]2CNC[C@@H]2c2nc(-c3ccncc3)no2)cnn1C 1554046061 UANDVXIFLPJYGW-KGLIPLIRSA-N 310.361 1.644 0 40 DDAB Cn1cc(N2CCC[C@H](Nc3cc(Cl)nc(N)n3)C2)cn1 76063577 SSWWIFIRBAJSTQ-VIFPVBQESA-N 307.789 1.527 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1 76044933 COAXWCISXRLKNZ-GXTWGEPZSA-N 314.345 1.189 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CC(F)(F)F 95437825 LWQBTUUESHESCC-SNVBAGLBSA-N 307.243 1.978 0 40 DDAB CCOC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1 95402755 QIDMOGFPZFWVJA-UHFFFAOYSA-N 303.362 1.074 0 40 DDAB CCCc1nnc(NC(=O)N2CCC[C@H]2c2nncn2C)s1 95981831 DVZWHMIMKWZHRD-VIFPVBQESA-N 321.410 1.988 0 40 DDAB C[C@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)O 95970590 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CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 4698168 CPXMIERIFISBPP-VWPFQQQWSA-N 323.389 1.147 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1cn(C)nc1C 72385989 LFHRURZRVLTLCD-LBPRGKRZSA-N 323.422 1.676 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCCN(C)C)o1 72241070 HBRBJXRAOZQKDJ-AWEZNQCLSA-N 307.394 1.147 0 40 DDAB NC(=O)c1cn[nH]c1[C@@H]1CCCN1C(=O)COc1ccccc1 72388688 XGROXSBHZQWNTO-ZDUSSCGKSA-N 314.345 1.251 0 40 DDAB O=C(O)c1nccnc1C(=O)N1CCc2[nH]c3ccccc3c2C1 32103762 FRGJOSTUOMTDEH-UHFFFAOYSA-N 322.324 1.855 0 40 DDAB O=C1N[C@@]2(CCCN(C(=O)c3cccnc3)C2)Oc2ccccc21 72347563 ZCLCNZQAAMTLKG-SFHVURJKSA-N 323.352 1.836 0 40 DDAB NC(=O)c1cn[nH]c1[C@H]1CCCN1S(=O)(=O)c1ccccc1 72366190 UFVMEBBFVSLEDS-GFCCVEGCSA-N 320.374 1.034 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCCc1ccc(OC2CCCC2)cc1 79334811 BQQOHGTYBWIBRH-LBPRGKRZSA-N 319.405 1.724 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1(COC)C(=O)O 218516371 QKJBZRSCNKITQT-MBNYWOFBSA-N 316.350 1.444 0 40 DDAB Cc1c(CCC(=O)N2CCCN(CC3CC3)CC2)cnn1C 72252833 URRXXHQJKBPABO-UHFFFAOYSA-N 304.438 1.605 0 40 DDAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN2CC(N)=O)n1 72360957 QVUKSFKTLGQSPZ-LLVKDONJSA-N 318.406 1.607 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@H]1CSCCC(=O)N1 75171279 LZJVWEDMWLPCQO-SNVBAGLBSA-N 314.794 1.909 0 40 DDAB C[C@]1(C(=O)N2CCC(O)CC2)CC(c2ccc(F)cc2)=NO1 226749297 XKWZUJSXYBCFQI-MRXNPFEDSA-N 306.337 1.692 0 40 DDAB O=C(Nc1cccc(N2C(=O)CCNC2=O)c1)[C@H]1CCCO1 225658935 GYHNVSIKHSVEBE-GFCCVEGCSA-N 303.318 1.250 0 40 DDAB CN(C[C@H]1Cc2ccccc2CO1)S(=O)(=O)c1cccnc1 225790160 UESOYMGTBVFNKO-OAHLLOKOSA-N 318.398 1.844 0 40 DDAB O=C(NCc1ccccc1F)c1ccc(F)cc1-n1cnnn1 40268946 ZOGPGEHTUPIWQT-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB Cn1c(CSCc2cn3ccccc3n2)cc(=O)n(C)c1=O 84495347 HOGYLFJALSMZET-UHFFFAOYSA-N 316.386 1.165 0 40 DDAB O=C(c1ccccn1)N1CC(c2nc(-c3ncccn3)no2)C1 49483016 YAZOSDUWRYLRBE-UHFFFAOYSA-N 308.301 1.161 0 40 DDAB CC[C@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C[C@@H](C)O1 195530431 MZUBPBKZLOZVMX-VHDGCEQUSA-N 323.441 1.232 0 40 DDAB Cc1c(C(=O)N2CC(n3ccnn3)C2)cnn1-c1ccccc1 225693302 GNQKFPRYEWWSED-UHFFFAOYSA-N 308.345 1.469 0 40 DDAB NCCn1ncc2c(=O)n(Cc3cccc4ccccc34)cnc21 85398350 ZSRSHEOKPLSFFI-UHFFFAOYSA-N 319.368 1.753 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 225438764 CLAQNNQHGODLIO-CYBMUJFWSA-N 314.345 1.103 0 40 DDAB Cc1c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)nnn1C 334028898 JLRARSIYAHXKML-WZRBSPASSA-N 309.414 1.196 0 40 DDAB C[C@H]1C[C@H](Nc2cnn(CCN3CCOCC3)c2)CN1C1CC1 96493822 CHTOXKQMRVXJJI-GJZGRUSLSA-N 319.453 1.252 0 40 DDAB c1ccc(CO[C@@H]2C[C@H]3CN(Cc4ccccn4)CCN3C2)nc1 96183468 MPYSMCFPGNIXIJ-RBUKOAKNSA-N 324.428 1.952 0 40 DDAB CCC(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 96208186 PIYHSGRLJFOKQO-ZDUSSCGKSA-N 300.362 1.726 0 40 DDAB CC(C)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 96189801 WQPDAYFNYSYRDI-HNNXBMFYSA-N 300.406 1.600 0 40 DDAB Cn1cc(CN2Cc3nnn(C)c3[C@H](COCC3CC3)C2)cn1 96060706 XJUYZJBUKDNVGC-AWEZNQCLSA-N 316.409 1.075 0 40 DDAB Cc1cnc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)cn1 96423175 LXLQLSLITTVTGE-UHFFFAOYSA-N 312.373 1.459 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)NC1CC1 96057278 JMUWATKFTLBWSK-BZPMIXESSA-N 321.446 1.506 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 96184520 GHXMTDCFQAFDCJ-CVEARBPZSA-N 324.421 1.967 0 40 DDAB NC(=O)c1nccnc1C(=O)N1CCC(=Cc2ccccc2)CC1 96454722 PKBIWTITBLMCJU-UHFFFAOYSA-N 322.368 1.895 0 40 DDAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C)CC(=O)NC(C)C 96440669 RUGANVKROHWRQE-QWRGUYRKSA-N 324.425 1.825 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 96025299 XGDNSVRLIHAZRV-LLVKDONJSA-N 323.823 1.148 0 40 DDAB CCOC[C@H]1CN(C(=O)N(C)C)Cc2ncn(CC3CC3)c21 96060343 WTAFMHSUBLTWPG-CYBMUJFWSA-N 306.410 1.910 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 245380307 VYKFMVZLUZZVBZ-AEGPPILISA-N 311.389 1.953 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 181295451 DRXIPRNCRFCLQJ-CYBMUJFWSA-N 308.378 1.836 0 40 DDAB CCN1CCO[C@@H](C(=O)N[C@H]2CCCN(C3CCCCC3)C2)C1 245338795 OOWZKPXKTSGEDV-DOTOQJQBSA-N 323.481 1.620 0 40 DDAB Cc1nccc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)n1 257316679 VGNVRNKRSOAFRW-GFCCVEGCSA-N 312.377 1.252 0 40 DDAB CCCn1ccnc1CN1CCO[C@H](c2cc(O)nc(C)n2)C1 257208376 BLYIHQSJKIJTLN-AWEZNQCLSA-N 317.393 1.671 0 40 DDAB Cn1ccc(C(=O)N2CC[C@H](c3ncn4ccsc34)C2)n1 257232908 GMYJAWJSVSTSRN-JTQLQIEISA-N 301.375 1.759 0 40 DDAB c1coc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 253596759 VTZGTOGKKPKCKX-DLBZAZTESA-N 317.389 1.926 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)CC3CCCC3)CCO2)n1 257216838 CWHUWDMVMADKTE-CYBMUJFWSA-N 305.378 1.971 0 40 DDAB COCC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 257211657 BZTCUAMXNDTNPX-YJBOKZPZSA-N 316.401 1.815 0 40 DDAB COCCOCC(=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257302771 SEHQOSQMFWLYQK-UAGQMJEPSA-N 319.401 1.965 0 40 DDAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2nc(C)c[nH]2)n1 257316563 VGCDLLGAUDVGGH-ZDUSSCGKSA-N 315.377 1.793 0 40 DDAB Cc1cccc(N2CCC[C@H](NS(=O)(=O)N3CCCC3)C2)n1 257233439 GPGKISPDOAXMRN-AWEZNQCLSA-N 324.450 1.289 0 40 DDAB NC(=O)CN1CCCC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 257342261 ZNVAPTZARUJNOS-JKSUJKDBSA-N 315.417 1.489 0 40 DDAB Cc1c(CNCc2ccn(CCF)n2)cnn1CC(F)F 256051953 LGFMDBZADUQJHX-UHFFFAOYSA-N 301.316 1.912 0 40 DDAB O=C(CCN1C(=O)CSc2ccccc21)NC[C@@H]1CCOC1 41372996 RHQYOLZCIMMNHH-LBPRGKRZSA-N 320.414 1.668 0 40 DDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(CCC(=O)O)CC1 558139829 ZNFDMBURFIJZAH-GFCCVEGCSA-N 324.421 1.785 0 40 DDAB Cn1cc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)nn1 96119895 GGSSCPPFUUITAG-UHFFFAOYSA-N 316.342 1.631 0 40 DDAB CO[C@@](C)(CNC(=O)C(=O)Nc1ccon1)c1ccccc1F 96123624 DYDMIXFGNMNXLY-HNNXBMFYSA-N 321.308 1.430 0 40 DDAB O=C1NCCN1C(=O)NCC1(c2cccs2)CCOCC1 96120239 CMOVMXSYMLUBKV-UHFFFAOYSA-N 309.391 1.531 0 40 DDAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 1576007 XCHVIDSCZYPFTR-WCQYABFASA-N 322.361 1.671 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 75156938 OQJKHSQADXWSID-IUCAKERBSA-N 319.404 1.117 0 40 DDAB CO[C@H]1C[C@H](NC(C)=O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 5373091 GDYLYTADQGGFEF-AALSBFMBSA-N 307.346 1.367 0 40 DDAB NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)cc(C(N)=O)c1 15927421 AJJHTHVRSPOKIP-UHFFFAOYSA-N 315.304 1.205 0 40 DDAB CC(C)CC(=O)N1CCc2nnc([C@H]3CCCN(C)C3)n2CC1 19709542 IPCGKLMUUNXSED-AWEZNQCLSA-N 319.453 1.518 0 40 DDAB COC(=O)C(=O)c1c[nH]c2c(Br)ncc(OC)c12 168353382 JAVFIHKQIIFDNL-UHFFFAOYSA-N 313.107 1.690 0 40 DDAB COCCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@H]1c1ccccc1 35327125 QQEODDDXXYDBAN-QRTARXTBSA-N 306.358 1.690 0 40 DDAB Cn1c(S[C@H]2CCCCNC2=O)nc2sccc2c1=O 22278688 JFKQCTHMLZRQLC-VIFPVBQESA-N 309.416 1.756 0 40 DDAB COc1ccc(NC(=O)c2cnccn2)cc1NS(C)(=O)=O 24770057 MBCKOZRPVNEWGV-UHFFFAOYSA-N 322.346 1.109 0 40 DDAB Cc1cc(Nc2nccs2)nc([C@H]2CCN(C(=O)CN)C2)n1 2037835020 RIGLNHQWSBBNMS-JTQLQIEISA-N 318.406 1.260 0 40 DDAB Cc1cnc(C)c(OC2CCN(Cc3nnc(C)n3C)CC2)n1 2087122775 ZPWHZAQKTWQVGI-UHFFFAOYSA-N 316.409 1.574 0 40 DDAB CC(C)OCc1nn(C)c2c1CCN(C(=O)c1cc[nH]n1)C2 1565551322 CLLSTHIVJXBAOS-UHFFFAOYSA-N 303.366 1.267 0 40 DDAB O=C(NC1CCC1)[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]2OCC[C@H]21 1565548427 CRJCBTLEFROLBK-YNEHKIRRSA-N 310.369 1.021 0 40 DDAB COc1cccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)c1 2710419 VHNOYTKZQSLVBB-AWEZNQCLSA-N 318.329 1.860 0 40 DDAB O=C(NCc1ccccc1)NCc1n[nH]c(=O)c2ccccc12 4317516 BSWBSZLTEMUGPL-UHFFFAOYSA-N 308.341 1.923 0 40 DDAB O=C(CCc1ccccc1F)N1CC[C@H](N2C(=O)COC2=O)C1 225701113 PQUJCOPSUPBUNO-LBPRGKRZSA-N 320.320 1.338 0 40 DDAB C[C@@]1(C(=O)C2=NNC[C@@H]2c2cccc(Br)c2)CO1 4898337 PSWXULULFFXBAS-MFKMUULPSA-N 309.163 1.850 0 40 DDAB COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1F 30335373 SUEZNMOVYFUTOR-UHFFFAOYSA-N 313.354 1.399 0 40 DDAB CCc1cccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 40456766 QNNKAPHYCXAOEZ-HNNXBMFYSA-N 311.403 1.321 0 40 DDAB Cc1ccc(-c2noc(CSc3nc(N)nc(N)n3)n2)cc1 11233664 ZUZWARWCOKLDJN-UHFFFAOYSA-N 315.362 1.687 0 40 DDAB CN(C)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 816498 KSCWAHTVIJASNU-UHFFFAOYSA-N 303.815 1.268 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 815505 GZTUNHHAWNJURI-WCQYABFASA-N 318.398 1.496 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 40512447 SBDWIGFJDOPJHU-YNEHKIRRSA-N 307.394 1.460 0 40 DDAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1O 904543 SJKUUWDFEVXGQJ-UHFFFAOYSA-N 318.402 1.902 0 40 DDAB CCN1C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1=O 40508576 PVUZJRKFGNRLIQ-NXEZZACHSA-N 317.345 1.213 0 40 DDAB Cc1cc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)on1 40540607 UXXQDAHBWJDOST-UHFFFAOYSA-N 303.366 1.111 0 40 DDAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCC2(CC1)OCCO2 51088642 LVZAASNVTCAXJS-AWEZNQCLSA-N 316.401 1.803 0 40 DDAB COc1cc(NC(=O)CC(C)=O)cc2c(C)cc(=O)n(C)c12 1583344 SIPVEBROUWEQLU-UHFFFAOYSA-N 302.330 1.773 0 40 DDAB CN(CN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)c1ccccn1 1630687 ZXDGVAMJEFKTIL-OAHLLOKOSA-N 322.368 1.864 0 40 DDAB OCCCNc1nc2nonc2nc1Nc1ccccc1F 3087808 SKWOEQUZTUNPPZ-UHFFFAOYSA-N 304.285 1.690 0 40 DDAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4310731 YLVNQBPUQHVOGL-NUZBWSBOSA-N 317.728 1.624 0 40 DDAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Cl)cc1OC 6958484 CEHYGMGRYOHZBD-WTKPLQERSA-N 323.736 1.849 0 40 DDAB CC(C)NC(=O)NC(=O)CSc1nnc(NC2CC2)s1 7577576 BEWGYESQSFFAHC-UHFFFAOYSA-N 315.424 1.439 0 40 DDAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCOCC1 101409665 QKIOMSIKBAJHFH-UHFFFAOYSA-N 322.405 1.554 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)c1ncnc2c1cnn2C 52186844 SKKXHNQBHXIRPM-UHFFFAOYSA-N 320.360 1.580 0 40 DDAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NC(N)=O 2639352 JBJKYBYJZOKVHV-SSDOTTSWSA-N 323.403 1.957 0 40 DDAB CN(CCn1nc2ccccn2c1=O)Cc1cccc(F)c1 32777993 VSNXMIJRRPOVQJ-UHFFFAOYSA-N 300.337 1.767 0 40 DDAB CCOC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 2787413 VSICYJBGDLKFTM-UHFFFAOYSA-N 311.359 1.915 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)CC(C)C)o1 33020584 UZDMRRHTWLVKRX-JTQLQIEISA-N 302.396 1.694 0 40 DDAB CCOC(=O)C1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 54455206 JJRYMVDPOAKKDV-UHFFFAOYSA-N 321.421 1.771 0 40 DDAB Cc1csc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 102969368 IBBABMOZFFJQQE-PHIMTYICSA-N 319.386 1.731 0 40 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CS[C@H](C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48265591 LZWPPGVDSANFDP-GFCCVEGCSA-N 308.451 1.201 0 40 DDAB COc1cc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)ccn1 48279466 LQRFWFPZEORVBI-UHFFFAOYSA-N 324.340 1.186 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459858 XZVNLCYBQPNCJZ-SJKOYZFVSA-N 317.389 1.758 0 40 DDAB CC(=O)N1CCC(C(=O)NCCOc2ccc(C)cc2)CC1 8314255 XANPSZUTLGVBLK-UHFFFAOYSA-N 304.390 1.749 0 40 DDAB COc1ccc(S(=O)(=O)NC(=O)c2csc(C)n2)cc1 49416903 SDXWJBKIQWWBIX-UHFFFAOYSA-N 312.372 1.579 0 40 DDAB O=C(NC1CC1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13570470 ORWNORPKPQBZHT-UHFFFAOYSA-N 320.784 1.501 0 40 DDAB CCC(=O)NCC(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69435593 IAHSXWFZAOUHQD-UHFFFAOYSA-N 308.288 1.820 0 40 DDAB C[C@@H]1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1 4275461 GVZPXLRJSGCMBS-MRVPVSSYSA-N 322.386 1.799 0 40 DDAB C[C@]1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCS(=O)(=O)C1 4337727 XMRMWMLMLJAQOK-NTUGICLWSA-N 311.447 1.896 0 40 DDAB CCOCCO[C@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C 69527444 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1.975 0 40 DDAB Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)s1 557095812 VZRJAUTWLFRULD-QWRGUYRKSA-N 314.432 1.641 0 40 DDAB COC(=O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1C 74966012 SBOKSIYWZCFOBM-UHFFFAOYSA-N 320.370 1.655 0 40 DDAB O=C(NCCc1cn2ccccc2n1)c1cc(O)nc(C2CC2)n1 557475778 UOAYTLOKFFTYKF-UHFFFAOYSA-N 323.356 1.680 0 40 DDAB CC(C)CNC(=O)Cn1c(=O)[nH]c2c(oc3ccccc32)c1=O 71289394 HLGHFFURVWDGMO-UHFFFAOYSA-N 315.329 1.208 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1nccc2ccccc12 79096067 UDVLQKYPTURHBV-LLVKDONJSA-N 306.387 1.788 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32912253 CNRLXQIBLGBXAN-DGCLKSJQSA-N 323.370 1.013 0 40 DDAB COC(=O)[C@@H](CCSC)NC(=O)c1cccnc1SC 33575197 GSUDSBHFXNANTM-SNVBAGLBSA-N 314.432 1.828 0 40 DDAB Cc1cc(C)n(Cn2ccc(C(=O)NC[C@@H]3CCCO3)n2)n1 35670704 DVAKAUMATWEHFP-ZDUSSCGKSA-N 303.366 1.111 0 40 DDAB Cc1cc(C)c(C(=O)NCCc2nc3ccccc3n2C)c(=O)[nH]1 74367747 JKUXPBOILPNJHP-UHFFFAOYSA-N 324.384 1.851 0 40 DDAB CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n[nH]1 77139983 GGZYHYYQYIRBGB-GHMZBOCLSA-N 313.423 1.619 0 40 DDAB CCN(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412385 MUJZZCOORHWTRQ-HNNXBMFYSA-N 319.405 1.452 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 79410079 JFPOOFAVDLWUCM-STQMWFEESA-N 313.442 1.828 0 40 DDAB COc1cccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)c1 40478869 UAKAXNVMJPQYCD-UHFFFAOYSA-N 312.281 1.386 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1F 238920934 TVZYYQOVOQYGCS-DFBGVHRSSA-N 309.337 1.901 0 40 DDAB CN1CCN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226747346 BKHNAKWMCDSZKC-MRXNPFEDSA-N 305.353 1.483 0 40 DDAB O=C(O)Cc1cccc(-c2nn3c(CC(=O)O)nnc3s2)c1 41126998 UVPWUTLFLZFHSK-UHFFFAOYSA-N 318.314 1.107 0 40 DDAB C[C@H](CN(C)C(=O)c1cc(-c2ccccc2)no1)c1nnn[nH]1 195562620 APSQKHFGUBETMR-SNVBAGLBSA-N 312.333 1.730 0 40 DDAB CCN(CC)C(=O)[C@H](C)N1CCC([C@@H](O)c2nccn2C)CC1 89926184 ACNVHLPIGGOHMZ-DZGCQCFKSA-N 322.453 1.422 0 40 DDAB C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)O1 527549670 ONSYGLZVTPOTEE-KYJSFNMBSA-N 318.417 1.480 0 40 DDAB CCCCC(=O)Nc1cccc(N2C[C@H](C(N)=O)CC2=O)c1 45953993 JIJKDLWBWWYEON-LLVKDONJSA-N 303.362 1.654 0 40 DDAB COC(=O)CN(C(C)C)S(=O)(=O)c1cc(F)cc(F)c1 47952639 NAEBFBHWMBWLAE-UHFFFAOYSA-N 307.318 1.537 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96245163 UBIUSSSPJOIYCI-HOCLYGCPSA-N 307.353 1.817 0 40 DDAB CC[C@@H](C(=O)OC)N(C(=O)Cc1cnn(C)c1)c1ccccc1 96409914 AVTGKWYLPBAMOF-HNNXBMFYSA-N 315.373 1.947 0 40 DDAB CC(=O)c1cccc(-n2ccc3c(nnc4ncnn43)c2=O)c1 95115670 IVWKKMZSUMPKFC-UHFFFAOYSA-N 306.285 1.026 0 40 DDAB Cc1ccc(CN2CCC3(CCCN3S(C)(=O)=O)CC2)o1 96049347 TVCJYTLYTVJNQL-UHFFFAOYSA-N 312.435 1.978 0 40 DDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107503 QUMSKBJMCXLFKX-YOEHRIQHSA-N 317.389 1.667 0 40 DDAB O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1ccccc1 96198740 DZTNOJGXYGGAOB-HUUCEWRRSA-N 318.373 1.077 0 40 DDAB CC(C)NC(=O)[C@H]1CN(C(=O)N2CCCC2)CC12CCOCC2 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316.405 1.274 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3ncoc3C)CCO2)ncn1 257218253 DCKGYDHXEWATEG-AWEZNQCLSA-N 316.361 1.555 0 40 DDAB CNc1ncccc1CN1CCO[C@@H](c2nccnc2NC)C1 257312382 UNRLABKCBUWRCB-CYBMUJFWSA-N 314.393 1.529 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3conc3C)C2)c1 585278462 SRTOLXQSCVVWPY-QGZVFWFLSA-N 316.357 1.947 0 40 DDAB O=C(CN1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1)NC1CCC1 585280036 WQZFKPNCDISDJY-RHSMWYFYSA-N 320.408 1.720 0 40 DDAB O=C(CN1CC[C@](O)(COc2cccc(F)c2)C1)N1CCCC1 585268932 DYSQSDVSIASDEX-QGZVFWFLSA-N 322.380 1.264 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@H]21 585108997 LUOKLQDDNPBEPZ-ILXRZTDVSA-N 320.364 1.580 0 40 DDAB C[C@H](COc1ccccc1F)NC(=O)N1CCC(C(N)=O)CC1 56854519 YIYIMQULKMESPH-LLVKDONJSA-N 323.368 1.500 0 40 DDAB COc1ccccc1C[C@H]1CCCN(S(=O)(=O)N(C)C)C1 66936351 IDLDOTKPJZGPMS-CYBMUJFWSA-N 312.435 1.756 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3ccc[nH]3)CC2)n1 69630076 VIERNOAWIZMOGD-UHFFFAOYSA-N 301.350 1.084 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(-c3cccnc3)no1)CC2 69872628 ZHHBTVZQKRWHQZ-LBPRGKRZSA-N 311.349 1.136 0 40 DDAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 72235061 WPOUDEYQHSCZNG-MRXNPFEDSA-N 313.405 1.817 0 40 DDAB C[C@H](NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)C1CCC1 95997844 ZTYGRMRXNKAMJV-HERUPUMHSA-N 320.414 1.995 0 40 DDAB Cn1cc(CCCNC(=O)NC[C@@](C)(O)c2ccco2)cn1 84638400 YWFDYACUNKRLCL-OAHLLOKOSA-N 306.366 1.153 0 40 DDAB c1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)cn1 277392022 JCQWEWSJWLSZPS-UHFFFAOYSA-N 311.393 1.193 0 40 DDAB CO[C@H](C)c1nc(Cn2cc(Cl)c(=O)[nH]c2=O)cs1 85252412 NXNOTKSNNDAUDQ-ZCFIWIBFSA-N 301.755 1.402 0 40 DDAB COc1ccccc1C1(O)CCN(Cc2cncn2C)CC1 12116980 AUYWXSDWUSGQEZ-UHFFFAOYSA-N 301.390 1.912 0 40 DDAB Cn1c2ccccc2c2nnc(SCC(=O)NC3CC3)nc21 15935712 QIFSMAJDIDRGLE-UHFFFAOYSA-N 313.386 1.887 0 40 DDAB O=C(c1ccccn1)N1CCC(N2C(=O)CSC2=O)CC1 206978807 BRBQLFYODNSWEQ-UHFFFAOYSA-N 305.359 1.382 0 40 DDAB CC/C(NC1CC1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 6419617 ZCMVEWJQSLFRDY-SEYXRHQNSA-N 305.378 1.814 0 40 DDAB O=C1COc2ccc(S(=O)(=O)N3CCCCCC3)cc2N1 15941852 BLWAUCYSTREVNA-UHFFFAOYSA-N 310.375 1.582 0 40 DDAB CCc1cc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)ncn1 1888834287 UOTIWYNTFLJDFS-CQSZACIVSA-N 304.394 1.257 0 40 DDAB c1ncc(-c2ccc(CN3CC(Cn4cncn4)C3)cc2)cn1 1888881733 XNMKZEHLDXKOKX-UHFFFAOYSA-N 306.373 1.867 0 40 DDAB Cc1ccnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 853769537 AFSKBKPAYWMYIG-GASCZTMLSA-N 322.368 1.406 0 40 DDAB Cn1ncc2c(N3CCN(c4ccc(O)cc4)CC3)ncnc21 21961712 CNCOBDBUJVDTQK-UHFFFAOYSA-N 310.361 1.396 0 40 DDAB CC(=O)N1CCN(CCC(=O)NCc2ccccc2Cl)CC1 28843294 AFXVGPKJRJXFMJ-UHFFFAOYSA-N 323.824 1.510 0 40 DDAB C[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CCO1 37195066 VVDRXZYBBATMFL-AAVRWANBSA-N 311.426 1.358 0 40 DDAB O=C(c1cc(-c2cccnc2)on1)N1CCC(n2nccn2)CC1 238920849 TVOVQVDAUPCBEH-UHFFFAOYSA-N 324.344 1.805 0 40 DDAB CCn1ncc(Br)c1C(=O)NC[C@@H]1CCCO1 28576111 OJCLRWGEGNNWDY-QMMMGPOBSA-N 302.172 1.574 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)C1CC(F)(F)C1)CC2 2055734762 STKAQKZVVRNFLH-SNVBAGLBSA-N 313.348 1.755 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1cccc(OC)c1)OC 575610978 CTPZPZIECDOJRU-ZDUSSCGKSA-N 303.380 1.025 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3F)C[C@@]23C=C[C@H]1O3 100018554 NRDULVCAICMSGX-IATRGZMQSA-N 303.289 1.192 0 40 DDAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cc(C)no1 40493931 HFYIPVCFADARQQ-UHFFFAOYSA-N 303.318 1.669 0 40 DDAB O=C1CCc2cc(S(=O)(=O)NCC[C@H]3CCCO3)ccc2N1 40489961 BMAVOYZWSFJTSA-GFCCVEGCSA-N 324.402 1.419 0 40 DDAB COc1cc(OC)c2[nH]c(C(=O)NCCNC(C)=O)cc2c1 40493476 MRUVYCMIUDCCIH-UHFFFAOYSA-N 305.334 1.051 0 40 DDAB CC(C)N(CC(N)=O)CC(=O)N[C@H](C)c1cccc(Cl)c1 31345595 KPBHIIAPCYASPZ-LLVKDONJSA-N 311.813 1.713 0 40 DDAB CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)c2ncccc12 40520585 ZBLDYHSBAPFNOT-UHFFFAOYSA-N 321.402 1.300 0 40 DDAB O=C(Nc1cccnc1N1CCCC1)N[C@@H]1CCCCNC1=O 45667088 MLNIIWDVIPGOPC-CYBMUJFWSA-N 317.393 1.472 0 40 DDAB CNC(=O)C1CCN(C(=O)NCCc2csc(C)n2)CC1 89709089 SDHLVTYTIVAXER-UHFFFAOYSA-N 310.423 1.162 0 40 DDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(C)cc2)C1 20567638 ZQWNTHGTWUOWTF-LBPRGKRZSA-N 314.389 1.818 0 40 DDAB COc1ccc2c(c1OC)C(=O)N(c1cc(C)n(C)n1)C2=O 17030644 DQOSDRLZABTEPF-UHFFFAOYSA-N 301.302 1.546 0 40 DDAB COc1cc2ncn(CC(=O)OC(C)C)c(=O)c2cc1OC 20762056 GKJQQKLYFQXPNN-UHFFFAOYSA-N 306.318 1.365 0 40 DDAB biogenic O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1ccc(O)cc1 4139358 DFMMSJMUYTWZMD-AWEZNQCLSA-N 315.329 1.359 0 40 DDAB CCCc1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 4985463 VCTNWCJGYXQKPX-UHFFFAOYSA-N 312.377 1.626 0 40 DDAB CCN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)CC1 6728821 MDHZFQIXQMFLKW-XNISGKROSA-N 320.433 1.844 0 40 DDAB CCOCCCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781200 QHIJXZTYBNYMIZ-UHFFFAOYSA-N 315.373 1.448 0 40 DDAB O=CN1CCN(C(=O)CSCc2ccccc2Cl)CC1 10282784 OWHPTYKWXZHITA-UHFFFAOYSA-N 312.822 1.874 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-n2cnnn2)cc1 2645390 RNGQTYKJQTYVLO-SWLSCSKDSA-N 315.377 1.736 0 40 DDAB Cc1cc(=O)n2nc(NC(=O)c3ccc(Cl)cc3)nc2[nH]1 101011737 KLIOKIFNRVZIEX-UHFFFAOYSA-N 303.709 1.632 0 40 DDAB Cc1ncsc1CN1C[C@H](C(=O)NC2CCC2)[C@H]2OCC[C@H]21 108528133 AXJMUGLPLDSWHS-GZBFAFLISA-N 321.446 1.710 0 40 DDAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)NC(N)=O)cc1 2617191 HSOMFXZDQGWAKA-UHFFFAOYSA-N 322.361 1.491 0 40 DDAB Cc1cnn(C[C@@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 69490072 UIXGMZUKYICFET-CYBMUJFWSA-N 307.419 1.773 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 53203106 XVWREHHWUVNJIL-VIFPVBQESA-N 308.325 1.476 0 40 DDAB COc1ccc(OC)c(CNC[C@@H]2CN(C3CC3)CCO2)c1 69667768 CALKSFFNPQCLMC-MRXNPFEDSA-N 306.406 1.657 0 40 DDAB COC(=O)C1CCN(C(=O)CCCc2nc(C(C)C)no2)CC1 46740810 MGBZNETYKYGCGZ-UHFFFAOYSA-N 323.393 1.927 0 40 DDAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1 23628789 DJLMCBVVEJHYLU-LLVKDONJSA-N 313.423 1.631 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCO[C@H](C)C1 12344778 KVJBWASODKVZLB-CYBMUJFWSA-N 304.390 1.695 0 40 DDAB CC(C)CNC(=O)c1cc(Br)ccc1-n1cnnn1 12321540 KOMOOFPPQRPWFJ-UHFFFAOYSA-N 324.182 1.811 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1SC(F)F 17637001 YWLYUPYPUAYXST-ZETCQYMHSA-N 322.358 1.313 0 40 DDAB NC(=O)c1cccc(CNC(=O)COc2ccc(F)cc2F)c1 25334402 VGTQNZXWQSWGBG-UHFFFAOYSA-N 320.295 1.759 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)cn12 69778940 WKYBJKLFUAIKKP-CABCVRRESA-N 313.405 1.737 0 40 DDAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@@H](C)C(N)=O)c(C)c12 44008764 ZOXOMDYBQKFPTR-QMMMGPOBSA-N 318.402 1.789 0 40 DDAB C[C@H](Sc1ccc(Br)cn1)C(=O)NC(N)=O 52914971 JMCUHHHTTWJYJO-YFKPBYRVSA-N 304.169 1.520 0 40 DDAB COC(=O)CN(C(C)C)S(=O)(=O)c1cccc(Cl)c1 47952603 IGCJQJYCRJOKLF-UHFFFAOYSA-N 305.783 1.912 0 40 DDAB C[C@@H]1CN(C(=O)CN(C)[C@H](CCO)c2ccccc2)C[C@@H](C)O1 110641504 BQCPAODXEUXVLU-BFYDXBDKSA-N 320.433 1.678 0 40 DDAB O=C(NCc1cc[nH]n1)[C@H]1CCCN1C(=O)Cc1ccccc1 58209863 TUJUWYIVKDHIKN-OAHLLOKOSA-N 312.373 1.260 0 40 DDAB COc1c(CN[C@H](C)c2nnc3ccccn23)c(C)nn1C 58299818 SADPGDLTKNHMKX-LLVKDONJSA-N 300.366 1.631 0 40 DDAB O=C1CCCN1CCCN1C(=O)N[C@H](Cc2ccccc2)C1=O 2199718 MDYOUMZOGWUPHY-CQSZACIVSA-N 315.373 1.162 0 40 DDAB NS(=O)(=O)c1cccc(CNc2ncnc3sccc23)c1 44913688 NGJXOPOLJGISHO-UHFFFAOYSA-N 320.399 1.951 0 40 DDAB CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 58405672 TYSNNUHQRNFXMI-GDBMZVCRSA-N 304.390 1.678 0 40 DDAB Cc1cc(NS(=O)(=O)c2cccs2)ccc1-n1cnnn1 28260913 NTBRPEHBXQCZQE-UHFFFAOYSA-N 321.387 1.833 0 40 DDAB Cc1cc2ncn(CN3CCN(S(C)(=O)=O)CC3)c2cc1C 28787418 SCQGKNPIHDIVCN-UHFFFAOYSA-N 322.434 1.188 0 40 DDAB CCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(OC)cc1 8406064 VMXVOHRLPRUXPH-UHFFFAOYSA-N 321.421 1.870 0 40 DDAB C[C@@H]1CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[C@H](C)CO1 69571355 HPJOBIXAXJLWMU-CHWSQXEVSA-N 319.405 1.543 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O 3597295 DVSCOHLPXGMZRP-GXTWGEPZSA-N 317.389 1.830 0 40 DDAB O[C@H](COCc1ccco1)CN1CCC[C@H](Cn2cncn2)C1 69808020 UAJVPJLLYZAVEW-GJZGRUSLSA-N 320.393 1.161 0 40 DDAB N=c1sc(N2CCOCC2)nn1CC(=O)c1ccccc1 4475280 NAZKBWLXVZNDAJ-UHFFFAOYSA-N 304.375 1.144 0 40 DDAB COc1cc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)ccn1 65516198 AZASSZZLICQZSB-UHFFFAOYSA-N 316.361 1.395 0 40 DDAB Nn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1 5335861 LDLBBJRTBAHRBX-UHFFFAOYSA-N 319.346 1.253 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1 14185453 UMSMCUZICNDTPV-UHFFFAOYSA-N 322.267 1.552 0 40 DDAB CCc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 408708321 XPFFCHZVDAURQG-INIZCTEOSA-N 317.433 1.466 0 40 DDAB COC(=O)[C@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C 65626839 HPJOOMREZSZJRY-QMMMGPOBSA-N 308.359 1.932 0 40 DDAB O=C(Nc1ccn(Cc2cccnc2)n1)c1cn2cccnc2n1 65608228 WLXNEYACKCQAJR-UHFFFAOYSA-N 319.328 1.621 0 40 DDAB CCC(CC)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 14247741 LJKWUETXSDJDDY-UHFFFAOYSA-N 303.362 1.628 0 40 DDAB CCN1C[C@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1=O 66690085 FZPMSDADDXEUFL-DOMZBBRYSA-N 320.364 1.594 0 40 DDAB Cc1ccsc1[C@H](C)NC[C@H]1CCN(S(C)(=O)=O)C1 90797405 UDIHQBZZPVYKQE-NWDGAFQWSA-N 302.465 1.989 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)NCCCn1ccnc1 8229694 NRXOSGMWCBUZEI-UHFFFAOYSA-N 315.373 1.843 0 40 DDAB Cc1cnn(CCNCC(=O)NCC2(c3ccccc3)CC2)c1 70004099 WZVWIIAPAVDACT-UHFFFAOYSA-N 312.417 1.629 0 40 DDAB Cc1nnc2n1C[C@@H](CNCc1cnn(C(C)(C)C)c1)CC2 71877330 MWFRPTVGLUXOQL-CYBMUJFWSA-N 302.426 1.890 0 40 DDAB COc1ccc([C@@H](CO)N(C)Cc2ccc(C(N)=O)cc2)cc1 71904374 INKMLYGDHKETLL-QGZVFWFLSA-N 314.385 1.960 0 40 DDAB Cc1nc(CN(C)C[C@H](c2cccs2)N2CCOCC2)no1 75603726 QBOCXAYSOVHNNR-CYBMUJFWSA-N 322.434 1.945 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@H](n3nc(C)nc3C)C2)c1 75602739 BQENTWREAIMHSM-HNNXBMFYSA-N 316.409 1.654 0 40 DDAB COCCCN(C)CCNC(=O)[C@@H]1CCOc2ccccc21 72295856 TWSJUJNDVGZACL-OAHLLOKOSA-N 306.406 1.637 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCC[C@H](n2cncn2)C1 72272153 CYWFTGUVUFYOIG-JTQLQIEISA-N 306.288 1.411 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)n1cncn1 72234058 UPKRWGWHYSWVPB-CHWSQXEVSA-N 302.382 1.553 0 40 DDAB COc1ccc2c(c1)N(Cc1nnnn1C1CC1)C[C@H](C)O2 75858065 SJDRQZLKKQICAB-JTQLQIEISA-N 301.350 1.804 0 40 DDAB Cn1c(C(=O)NC(C)(CO)CO)ccc1-c1ccc(F)cc1 97098104 OCOFQZXRNCEYQD-UHFFFAOYSA-N 306.337 1.304 0 40 DDAB C[C@@H](Cc1ccsc1)NC(=O)NC[C@](C)(O)c1cnn(C)c1 76021072 NDWICRRGHKTBOZ-NHYWBVRUSA-N 322.434 1.620 0 40 DDAB Cc1cc([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)n[nH]1 76059682 PEMJJHDVUOGQRX-CQSZACIVSA-N 306.410 1.146 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)CC1 72344275 ATNKSXYYHGMRDU-SNVBAGLBSA-N 303.815 1.734 0 40 DDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nc2ccccc2[nH]1 78418353 CGPZQXZXHWADAD-ABAIWWIYSA-N 314.389 1.855 0 40 DDAB CN(C)c1nccc(CNC(=O)c2cccc(-n3cncn3)c2)n1 95463232 GRIWSYJHZNPGMS-UHFFFAOYSA-N 323.360 1.053 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 78892524 IARDOFJCZONCDC-HNNXBMFYSA-N 316.361 1.458 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78900398 YNFXOMZGJBRIPS-LLVKDONJSA-N 303.366 1.493 0 40 DDAB CCNC(=O)c1cccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1 20963504 BTGTXGQBTHFHEW-BETUJISGSA-N 319.405 1.484 0 40 DDAB CCN(Cc1cnn(C)c1)C(=O)c1ccnc(-n2cncn2)c1 95956384 NDYWSWSGXJBJAW-UHFFFAOYSA-N 311.349 1.058 0 40 DDAB CCN(C(=O)c1cccn1C1CCCC1)[C@H]1CC(=O)NC1=O 95995660 YZIPTBXRZPSCPC-ZDUSSCGKSA-N 303.362 1.480 0 40 DDAB O=C1OCC[C@H]1N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 95958218 MSEJDCGJOBYAAH-CQSZACIVSA-N 312.373 1.967 0 40 DDAB CNC(=O)NC(=O)CCn1nnc2cc(Cl)c(Cl)cc21 95976481 KPYFMWYAWMEIFK-UHFFFAOYSA-N 316.148 1.584 0 40 DDAB COc1ncc(NC(=O)NCc2ccccc2F)cc1C(N)=O 79110906 BWXXWNWAOYYPOC-UHFFFAOYSA-N 318.308 1.650 0 40 DDAB CCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 113968604 WKWNGMICBNCXRJ-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(c3ncnc4ccccc34)CCO2)n1 75128643 INDVLAYWBIYKIV-AWEZNQCLSA-N 324.388 1.744 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)C[C@@](C)(O)C2CC2)cc1F 89643375 COPFVNXELCQCIX-QGZVFWFLSA-N 322.380 1.531 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)Cc1cn2ccccc2n1 60367730 FOEHLXCRVMNUMU-UHFFFAOYSA-N 318.377 1.518 0 40 DDAB Cc1cc(O)ccc1CC(=O)NCCN1C(=O)CSC1=O 1520806449 KDFFCWHTXFEOPN-UHFFFAOYSA-N 308.359 1.055 0 40 DDAB CCCOC(=O)c1ccc(Sc2nnc(C)n2N)c(N)c1 70462377 ZQZOMUVLFHVROS-UHFFFAOYSA-N 307.379 1.601 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OCc1ccccc1 79412742 KONBXNRWYUKTKY-DZGCQCFKSA-N 319.405 1.593 0 40 DDAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218088775 XOXMMNSDYLEMSJ-SOUVJXGZSA-N 313.419 1.330 0 40 DDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2 40386773 BFVISAZPQAGXSI-MRVPVSSYSA-N 321.287 1.462 0 40 DDAB O=C1CCCN1CCNC(=S)Nc1ccc2c(c1)OCCO2 225812038 DWFNSWRQGVRRQU-UHFFFAOYSA-N 321.402 1.367 0 40 DDAB CCn1nccc1CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O 41545818 MTDPWILCSOEWPC-MRXNPFEDSA-N 314.345 1.309 0 40 DDAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccccn3)C2)n1 225498307 AJJCXONVGYIBKH-LBPRGKRZSA-N 314.345 1.564 0 40 DDAB O=C(c1ccc2nnnn2c1)N1CCC[C@H]1Cc1ccccc1 532065449 LINHAEOZQMWVPG-HNNXBMFYSA-N 307.357 1.972 0 40 DDAB Cc1cccc(C(=O)N2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)n1 96054007 DCOMXUGDWYWVKB-KBPBESRZSA-N 309.373 1.388 0 40 DDAB COCCn1c(C)nc2nnc3ccc(C(=O)N(C)C)cc3c21 96264281 JOWPEGFBBAYPGY-UHFFFAOYSA-N 313.361 1.636 0 40 DDAB CCN(C)C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 96428768 MOQNTXFFKGRGMZ-UONOGXRCSA-N 303.472 1.237 0 40 DDAB c1nc2n(c1CN1CCCCC1)CCN([C@H]1CCOC1)CC2 96196896 GFRRFSDXJZUPQN-HNNXBMFYSA-N 304.438 1.516 0 40 DDAB CC(C)c1cc(C(=O)NCCCn2cccn2)nc(N(C)C)n1 96101139 LFJFTRJQHKZIQW-UHFFFAOYSA-N 316.409 1.683 0 40 DDAB O=C(c1ccno1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072522 HBLSCGLLMVISTH-CJNGLKHVSA-N 315.329 1.522 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061271 ZDSHKPQDMIVFQQ-ZDUSSCGKSA-N 309.410 1.304 0 40 DDAB Cc1nc[nH]c1CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257251517 JRBVVDGCADEMKK-HUUCEWRRSA-N 317.345 1.040 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccccc2F)n1 257274674 NMBMRBPQPAKTCC-CQSZACIVSA-N 303.337 2.000 0 40 DDAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)CN)C2)ncn1 257284494 PCXJSNNZNBVFHB-GFCCVEGCSA-N 315.377 1.098 0 40 DDAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)C3CCC3)CC2)ncn1 257213122 CGGDSSHOIFTGAG-LBPRGKRZSA-N 316.405 1.547 0 40 DDAB CCn1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cn1 257238696 HMCJHZYHLDMTPB-RBSFLKMASA-N 306.410 1.011 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cnccn2)n1 257291095 QFPSUMBNADGJKL-HNNXBMFYSA-N 312.377 1.240 0 40 DDAB CCn1ccc(C(=O)N2CCO[C@H](c3ccc(C)cn3)C2)n1 257236323 HBPFHZLOCOPLOE-HNNXBMFYSA-N 300.362 1.820 0 40 DDAB O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccc(OC2CCOCC2)cc1 263336461 QZMLYIQDMCMUSF-BETUJISGSA-N 319.357 1.837 0 40 DDAB O=C(c1cc[nH]n1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575405300 RGCVVZUVKBIFBW-CQSZACIVSA-N 323.356 1.710 0 40 DDAB O=C(C1CC(F)C1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 585100010 TUGSPRIPZQVOSB-YMAMQOFZSA-N 310.413 1.980 0 40 DDAB COc1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cn1 44951937 PORODJAAKQKVSU-UHFFFAOYSA-N 312.391 1.776 0 40 DDAB COc1ccc(CN2C[C@H](C(=O)NCC3CCC3)CC2=O)cc1 69373412 SRRQZSQTJNZCNM-OAHLLOKOSA-N 316.401 1.960 0 40 DDAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn[nH]1 58216559 CHRZUHLQEAAWBL-MRVPVSSYSA-N 309.167 1.928 0 40 DDAB C[C@H](CN1CCCC1=O)NC(=O)CCC(=O)c1ccccc1 58379018 JSAQSVZUPVWSKW-CYBMUJFWSA-N 302.374 1.777 0 40 DDAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NC1CC1 5088181 MKEKGPKCBINBHT-UHFFFAOYSA-N 322.166 1.381 0 40 DDAB Cc1cc2c(cc3c(=O)n(CC(=O)NCC4CC4)nc(C)n32)o1 12115497 GGEAUOGFUIVZJB-UHFFFAOYSA-N 314.345 1.385 0 40 DDAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(N)=O)C2)on1 12154618 YKHQANWMPIMQGE-LBPRGKRZSA-N 315.377 1.413 0 40 DDAB O=c1nc(C(F)(F)F)c(-c2nnnn2-c2ccccc2)c[nH]1 16523867 XVDFUZNYOARVMY-UHFFFAOYSA-N 308.223 1.431 0 40 DDAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cn1 16574628 ZUPXRHJJAJDKMK-WCQYABFASA-N 306.362 1.942 0 40 DDAB O=C1Oc2nc3ccccc3cc2CN1CCN1CCOCC1 19376295 GAGJSWGQLSHTJO-UHFFFAOYSA-N 313.357 1.881 0 40 DDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)C(C)(C)C)CC3)C1 19709465 VDFQECAKKDYZSI-ZDUSSCGKSA-N 319.453 1.518 0 40 DDAB CNc1cc(CN(C)CC2=CCCOC2)nc([C@@H]2CCCN2)n1 19759977 KSGIZYMBLLVAHV-HNNXBMFYSA-N 317.437 1.721 0 40 DDAB Cc1nnc(N2CCO[C@](C)(C(=O)N(C)C)C2)c2ccccc12 19746915 BYCBBKJXXXLDRA-KRWDZBQOSA-N 314.389 1.622 0 40 DDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)O)cs1 8746724 IJMAKGHNUXIWEB-UHFFFAOYSA-N 315.376 1.597 0 40 DDAB CN([C@H]1CCN(c2ncnc3ccccc23)C1)S(C)(=O)=O 1888864030 VYGUKLKMQOZIJL-NSHDSACASA-N 306.391 1.100 0 40 DDAB O=C([C@@H]1CN(Cc2ccc(Cl)cc2)CCO1)N1CCOCC1 1889125047 JUUKWSQQTJILLP-HNNXBMFYSA-N 324.808 1.400 0 40 DDAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Br)c1)[C@H]1C=C[C@H]2O1 247746634 QEZKEHCEVBLRMB-DDHJBXDOSA-N 320.142 1.892 0 40 DDAB CN1C[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)COCC1=O 2037985259 DBRSRCANFOAGBO-INIZCTEOSA-N 322.792 1.661 0 40 DDAB Cc1nnc(SCC(=O)Nc2nccs2)n1-n1cccc1 4518586 KYYBHKKORYPSRT-UHFFFAOYSA-N 320.403 1.887 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1cccc(Cl)c1C)OC 575612591 NDLYQKOUQWPTCR-ZDUSSCGKSA-N 321.826 1.978 0 40 DDAB O=C(O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20201033 SKQRCIZXKPFTNX-VIFPVBQESA-N 310.737 1.284 0 40 DDAB CCc1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc1 40386679 FXMZUBRJFCJKQF-LBPRGKRZSA-N 313.361 1.746 0 40 DDAB COC(=O)CNc1cc(S(=O)(=O)N(C)C)cc(C)c1C 40476533 XVLGKKIAOSZKCE-UHFFFAOYSA-N 300.380 1.139 0 40 DDAB Cc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)c(Cl)c1 558162 KKYDMDHJSSPELW-UHFFFAOYSA-N 310.770 1.299 0 40 DDAB O=C(c1ccc[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 68535523 TWGHGROKIYRNAW-UHFFFAOYSA-N 311.385 1.908 0 40 DDAB Cc1cc(COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)no1 7832587 DGIIMDSNTOUXBJ-UHFFFAOYSA-N 314.297 1.993 0 40 DDAB CCOC(=O)[C@@H](Sc1nnc(-c2ccncc2)o1)C(C)=O 1016694 CTIIINQJECNLFH-JTQLQIEISA-N 307.331 1.744 0 40 DDAB CNC(=O)N(O)[C@H]1N(C)C(=O)N(Cc2ccccc2)C1(C)C 1513685 BCHDAIOOSYWEDX-GFCCVEGCSA-N 306.366 1.689 0 40 DDAB O=C1NC(=O)[C@@H]2[C@@H]1ON(c1ccccc1)[C@@H]2c1cccs1 101264407 LQFAKSSYIXZCSM-XQQFMLRXSA-N 300.339 1.882 0 40 DDAB Cc1ccc(CN2CCOC[C@@]3(C[C@@H](CN(C)C)CO3)C2)o1 107738570 DYLCPCYQUOSQBJ-DOTOQJQBSA-N 308.422 1.757 0 40 DDAB COc1ccccc1CNC(=O)Cn1nnc(-c2ccccc2)n1 8403382 PODFKCYEINMMRO-UHFFFAOYSA-N 323.356 1.665 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCc2ccccc2F)C[C@@H](C)O1 32895609 IHPBPGFLYUXRKZ-TXEJJXNPSA-N 316.398 1.312 0 40 DDAB CN(C)CC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 11909635 ZDMAETVSDXXVIA-AWEZNQCLSA-N 312.373 1.125 0 40 DDAB CC(C)(C)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 29986332 RAOWTTQPZULIJG-UHFFFAOYSA-N 317.433 1.493 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@H]21 32912473 UJCOQNXQXUPZJO-LDYMZIIASA-N 315.778 1.499 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 41618482 BVOUPYMLTHVJPC-LLVKDONJSA-N 314.382 1.227 0 40 DDAB Cc1ccc(Oc2ccc(NC(=O)c3nc(=O)[nH][nH]3)cn2)cc1 69626383 VUEFMGYVMVKVAD-UHFFFAOYSA-N 311.301 1.846 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(=O)c2ccccc2o1 46887120 CSUYHNZCIUSRPV-GFCCVEGCSA-N 316.357 1.244 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(CCC(=O)NC(N)=O)C2CC2)o1 42145863 RHBJQULRWLKGKM-MFKMUULPSA-N 305.378 1.952 0 40 DDAB CC(=O)N1CCCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 42464387 YSWBHOHIBNBDFG-NRFANRHFSA-N 308.403 1.118 0 40 DDAB Cc1ccccc1SCC(=O)NCC(=O)NCC(F)(F)F 47180186 VHLYXQJYVZBQQI-UHFFFAOYSA-N 320.336 1.882 0 40 DDAB C[C@@H](OC(=O)CCc1ccccc1Cl)C(=O)N1CCNC1=O 23272279 VNHDOBSOVQNHBD-SNVBAGLBSA-N 324.764 1.756 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCN(c2ncccn2)CC1 23390975 NNCWOUIIRASTMT-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB Cn1ncc(N2CCC(C(=O)N3CCCC3)CC2)c(Cl)c1=O 42677713 DJQDEQORAXYDHD-UHFFFAOYSA-N 324.812 1.273 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnc2ccccc2n1 61649363 IUTZKECAVVWQPS-QWHCGFSZSA-N 312.373 1.223 0 40 DDAB CC(=O)NCC1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 61634431 MSUUNHXQEDHTMQ-UHFFFAOYSA-N 316.361 1.520 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 105579986 LAZZGPXFWFOAAU-OBJOEFQTSA-N 314.451 1.353 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1n[nH]c2ccccc12 24923644 QARUVKQEQFLJKC-UHFFFAOYSA-N 310.361 1.811 0 40 DDAB O=C(C1CC1)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119128 BHKSTCNXUKDMJG-CHWSQXEVSA-N 309.369 1.722 0 40 DDAB Cc1csc(N2CCCN(C(=O)[C@H](C)n3cccn3)CC2)n1 56362575 BTJDCVAYRVLIEN-ZDUSSCGKSA-N 319.434 1.948 0 40 DDAB CNC(=O)C1CCN(Cc2nc(-c3cccs3)no2)CC1 25755022 JDMRYCZVUWIASZ-UHFFFAOYSA-N 306.391 1.756 0 40 DDAB CCc1nc(CN2CCCC[C@H]2CNS(C)(=O)=O)cs1 26175888 HLDHCJISFGYXKY-LBPRGKRZSA-N 317.480 1.609 0 40 DDAB CCOC(=O)NCCC(=O)N(CC(=O)OC)Cc1ccccc1 58183104 NANXIGHPLFXJPB-UHFFFAOYSA-N 322.361 1.324 0 40 DDAB CC(=O)c1ccc(N2CCN(C(=O)C3CCOCC3)CC2)cc1 27631191 GRUIRTZTHCSBMP-UHFFFAOYSA-N 316.401 1.964 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)OC[C@@H]2C)c1C 27642581 UVNDTFKCWPSGAU-UWVGGRQHSA-N 308.378 1.710 0 40 DDAB CCN(CC(=O)NC(N)=O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 58296650 GVLLYUCTJXZRLB-ZFWWWQNUSA-N 318.421 1.339 0 40 DDAB O=C(NCc1ccco1)NC[C@H](O)COc1cccc(F)c1 44955235 MJSGXUWWTXNOEV-LBPRGKRZSA-N 308.309 1.658 0 40 DDAB O=C(CCN1CCSC1=O)NCCOc1cccc(F)c1 44918999 AEAGOHJMTAQUTM-UHFFFAOYSA-N 312.366 1.880 0 40 DDAB CC(C)C(=O)NC1CCN(c2cncc(-n3cccn3)n2)CC1 44976040 UBJVANYOCWYQNN-UHFFFAOYSA-N 314.393 1.403 0 40 DDAB C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H]1CCCO1 44908239 NMZYTEMWHBZHRX-MFKMUULPSA-N 301.346 1.231 0 40 DDAB COCCn1cnnc1S[C@@H](C)C(=O)N1CCCCCC1 58328870 AOUUTFIKWXPQNX-LBPRGKRZSA-N 312.439 1.808 0 40 DDAB S=C(NCc1ccccc1)NNC(=S)NC[C@@H]1CCCO1 3332594 FSNHURGACNEDFW-LBPRGKRZSA-N 324.475 1.209 0 40 DDAB CNC(=O)C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 12860421 CFNIRYUYPAVSTI-UHFFFAOYSA-N 312.316 1.886 0 40 DDAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 17635942 BVYRSBOXPKWMOK-CQSZACIVSA-N 303.383 1.686 0 40 DDAB COc1cccc(CNS(=O)(=O)c2cccc(C(=O)O)c2)c1 13067337 MAMSXGSNWWGPSM-UHFFFAOYSA-N 321.354 1.872 0 40 DDAB Cc1nn(C)c2ncc(S(=O)(=O)N(C)c3ccccn3)cc12 69327984 IQVLQFABRYCBTK-UHFFFAOYSA-N 317.374 1.497 0 40 DDAB Nc1c(N[C@H]2c3ccccc3C[C@H]2O)ncnc1-n1cccn1 91431027 YGKVRVPYZPSSEJ-OCCSQVGLSA-N 308.345 1.315 0 40 DDAB NC(=O)c1ccsc1NC(=O)CSC1=NCCS1 8329297 CSQDYXQVDNGUSQ-UHFFFAOYSA-N 301.418 1.622 0 40 DDAB Cc1c(CC(=O)NCCCO)c(=O)oc2c(C)c(O)ccc12 4085335 HPDSHIRRENJLLM-UHFFFAOYSA-N 305.330 1.157 0 40 DDAB biogenic Cc1ccc(CN(C)C(=O)CN2CCC[C@@H]2Cn2cccn2)o1 69778713 PWTRVSZPCDOSQR-OAHLLOKOSA-N 316.405 1.908 0 40 DDAB NC(=O)CCCNC(=O)c1cc(-c2cccc(Cl)c2)no1 69437071 QNVNVJRWCDBOSR-UHFFFAOYSA-N 307.737 1.990 0 40 DDAB NC(=O)Cn1cc(NC(=O)CCOc2ccc(Cl)cc2)cn1 65520399 PJEDZGPEQNSRNL-UHFFFAOYSA-N 322.752 1.429 0 40 DDAB COCCNC(=S)N1CCc2cc(OC)c(OC)cc2C1 5396728 AMAYFYCPJBDJJI-UHFFFAOYSA-N 310.419 1.583 0 40 DDAB O=C(NC[C@H](C(=O)N1CCOCC1)c1ccccc1)N1CCC1 69879642 ZRFBCRMAOYWJHT-HNNXBMFYSA-N 317.389 1.044 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1ccc2c(c1)OCCCO2 6436831 IYNALFNDACWRCU-VIFPVBQESA-N 310.375 1.784 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 14139441 DUENWHOJLIBGGK-LBPRGKRZSA-N 323.360 1.374 0 40 DDAB C[C@@H]1C[C@@H](c2ccccc2)n2nc(NS(C)(=O)=O)nc2N1 5497991 BTBPSPJYTFUGLY-KOLCDFICSA-N 307.379 1.443 0 40 DDAB COCC[C@@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 69538267 XUSHMFUCFQYIST-ZJUUUORDSA-N 307.350 1.953 0 40 DDAB CCc1ccccc1N(CC(=O)N[C@@H](C)CC)S(C)(=O)=O 5667778 KKLWOHZDDQTQBM-LBPRGKRZSA-N 312.435 1.930 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@@H]1Cn1cccn1 69947492 MYKXXKLMQHXXHH-CQSZACIVSA-N 316.409 1.716 0 40 DDAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](O)C1 61707123 NIVHRIVGCJWLPM-ZCFIWIBFSA-N 312.210 1.266 0 40 DDAB O=C(COC(=O)c1cc(Cl)ccc1F)NC[C@H]1CCCO1 7522573 ZNEHOMUCWASKSM-SNVBAGLBSA-N 315.728 1.931 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1F 25896838 ASOCMKZQYAKFMX-LLVKDONJSA-N 314.382 1.744 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)C1CCC1 96423117 RCVPRWZJXRANNA-CQSZACIVSA-N 302.374 1.583 0 40 DDAB Cn1nc(CC(C)(C)C)cc1NC(=O)CCN1CCCC1=O 71888212 DKJACJKURZPZEC-UHFFFAOYSA-N 306.410 1.960 0 40 DDAB Cc1cc(N(C)[C@H](C)CS(C)(=O)=O)nc(-c2ccncc2)n1 71904240 ZEIIPYZKARJKDE-GFCCVEGCSA-N 320.418 1.716 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)C1CC=CC1 97081792 QBZMJRZSGSTSJV-KRWDZBQOSA-N 300.402 1.836 0 40 DDAB Cc1cc(C(=O)O[C@H](C)CN2CCOCC2)nn1C(C)(C)C 97107131 DELSOKFIEFIVMI-CYBMUJFWSA-N 309.410 1.824 0 40 DDAB Cn1c(=O)c(CCC(=O)NCc2cccnc2)nc2ccccc21 72404807 ZHWWARKCUOZBLW-UHFFFAOYSA-N 322.368 1.578 0 40 DDAB Cc1ccc(NC(=O)N2CCN(CCOC(C)C)CC2)nc1 97372809 GYFYJHBHQVTLTD-UHFFFAOYSA-N 306.410 1.965 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccc(Cl)cn1)c1ccc(F)cc1 97380137 YJOGXZGPHJSLOO-LBPRGKRZSA-N 307.712 1.831 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@H](CCO)C1CC1 76021643 BCOZOKFNBZOYNB-CABCVRRESA-N 321.421 1.877 0 40 DDAB CNC(=O)c1cccc(C(=O)NC[C@@H](O)C2CCCCC2)c1 95404214 SJFYSLIQPYVHAS-OAHLLOKOSA-N 304.390 1.717 0 40 DDAB Cn1ccnc1[C@@H](O)C1CCN(Cc2noc(C3CC3)n2)CC1 95442023 TYEOSYJYTNQUPL-AWEZNQCLSA-N 317.393 1.626 0 40 DDAB Cn1cccc1CNC(=O)NCc1ccnc(-n2ccnc2)c1 73964081 RQFGPPJUCGRKQQ-UHFFFAOYSA-N 310.361 1.605 0 40 DDAB CN1C[C@H](C(=O)N2CCC(COC3CCCC3)CC2)CC1=O 95949497 QDRFJXNZAYSUFL-CQSZACIVSA-N 308.422 1.663 0 40 DDAB c1cnnc(NC[C@@H]2CN(CCNC3CCCCC3)CCO2)c1 78894046 WZAHKNPXKSXDBN-MRXNPFEDSA-N 319.453 1.512 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H]2CCOC2)c1 89432520 NPIFHOGCCYGUFU-SMDDNHRTSA-N 324.377 1.073 0 40 DDAB C[C@H](NCCn1cccn1)C(=O)N[C@@H]1CCOc2ccccc21 75133237 XJGILEPZVROFSI-DZGCQCFKSA-N 314.389 1.501 0 40 DDAB Cc1[nH]ccc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 75105088 KEWIIHFFYSUGDY-UHFFFAOYSA-N 315.377 1.831 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1COc2ccccc2C1 75126444 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COc1ccc([C@@H](CN(C)C)NS(=O)(=O)c2ccco2)cc1 225454616 ROWHGPKRLBISRX-CQSZACIVSA-N 324.402 1.869 0 40 DDAB Cc1noc(-c2ccnc(N3CCC[C@H]3C(=O)N(C)C)c2)n1 96453293 KKTNJTJIVFHCIR-LBPRGKRZSA-N 301.350 1.497 0 40 DDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(Cc2nccs2)C3)o1 96038807 YDQPSSHIVAYCMT-BXUZGUMPSA-N 306.391 1.767 0 40 DDAB C[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)C2)CN(Cc2ccccc2)C1 97095412 UIVSWJKIYQDGGO-OIISXLGYSA-N 322.474 1.674 0 40 DDAB CC(C)Cn1cc(N2C[C@@H](C(=O)NCC3CC3)CC2=O)cn1 96192158 HSGVCAGYDFASIE-ZDUSSCGKSA-N 304.394 1.418 0 40 DDAB O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96065478 YVFHRNITXCFDJN-JQFCIGGWSA-N 322.449 1.704 0 40 DDAB Nc1nc2c(s1)CN(CC(=O)NCc1ccccc1)CC2 95019771 CVGQXSDITXIAEN-UHFFFAOYSA-N 302.403 1.400 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@H]12)C1CC1 96185464 BBAXTYCYQARJLD-MELADBBJSA-N 321.446 1.506 0 40 DDAB Cc1c(C(=O)NC[C@@H](C)C(=O)O)nnn1-c1ccc(F)c(F)c1 518540387 JYMLYULFCVPDBA-SSDOTTSWSA-N 324.287 1.304 0 40 DDAB COc1cc(C[C@@H]2COc3c(cccc3OC)C2)nc(N)n1 95372516 PLAQTNVKOHEIRS-SNVBAGLBSA-N 301.346 1.870 0 40 DDAB Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)Cc2ccsc2)cn1 96200586 PREBYERYYXHGJG-KBPBESRZSA-N 305.403 1.229 0 40 DDAB c1cc(-c2nnn3c2COC[C@@H](CNC2CCOCC2)C3)co1 96045663 ZIRKKALXARISAF-LBPRGKRZSA-N 318.377 1.453 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)CC[C@@H]2CCCO2)C1 96472426 VMCMEQGYJKOSQY-KFWWJZLASA-N 318.483 1.453 0 40 DDAB COc1cc(N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)ncn1 96220787 BYEORLBKNWZSOR-QJPTWQEYSA-N 317.349 1.013 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)Cc1ccsc1)CC2 96206094 PRWZQNFORCPIPV-CYBMUJFWSA-N 322.430 1.292 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccccc3)[C@@H]2C1 96208589 YVKMPGBKBWXRHW-BBWFWOEESA-N 302.418 1.797 0 40 DDAB CC(=O)N1CCO[C@]2(CCC[C@H]2COCC(=O)N2CCCC2)C1 96063277 AISKPZWHYJYWHZ-DOTOQJQBSA-N 324.421 1.043 0 40 DDAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 330602788 FQTUQMNNDRVDEY-GAFUQQFSSA-N 324.343 1.453 0 40 DDAB CNC(=O)CCOC(=O)c1ccc(F)cc1Br 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Cc1cc(NS(C)(=O)=O)c(=O)n(Cc2cccc(F)c2)c1 4913809 FWYTYOHGZBSPQR-UHFFFAOYSA-N 310.350 1.716 0 40 DDAB CN(C)c1ccc(C(=O)N2CCN(c3nccs3)CC2)cn1 32300997 MRWZKWUMBWREKT-UHFFFAOYSA-N 317.418 1.567 0 40 DDAB CCCCOc1ccccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 101675114 WBVUOIXBEYYHID-GFCCVEGCSA-N 315.333 1.835 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 21267644 XBXGPACESLDOGY-GHMZBOCLSA-N 321.352 1.898 0 40 DDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 107202964 UCYYIAFGGFOXIZ-ILXRZTDVSA-N 322.478 1.516 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccco2)n2ncnc2N1 10157068 NOGLOZSUQGWTCX-ZDUSSCGKSA-N 315.333 1.019 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCc3sccc3C2)C1=O 52432627 FBUDGUQNSTWIFW-UHFFFAOYSA-N 307.419 1.827 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1 109502334 GIDFYFVMWLGCPE-JTQLQIEISA-N 308.363 1.271 0 40 DDAB O=C(OCCn1cccn1)c1ccc(N2C(=O)CCC2=O)cc1 52766142 MSDHGXNLJDUBMN-UHFFFAOYSA-N 313.313 1.394 0 40 DDAB Cc1cc([C@@H]2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)no1 52827372 BKDNSNKRCGCPRE-LBPRGKRZSA-N 314.349 1.290 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 100867350 USMJRFMICLNYFG-OXHZDVMGSA-N 315.325 1.935 0 40 DDAB O=C(NCCCO)NCc1cc(Cl)c2c(c1)OCCCO2 60907127 DWHZEWUNWJYFID-UHFFFAOYSA-N 314.769 1.683 0 40 DDAB C[C@H]1CN(C(=O)c2cccnc2N2CCOCC2)C[C@H](C)O1 22836315 YUCZQPDQRCGSSH-STQMWFEESA-N 305.378 1.168 0 40 DDAB CNC(=S)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 23243251 BFOPJUROBRGYGH-CQSZACIVSA-N 309.435 1.162 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)OCCCO2 42532549 ZJEPAAKKKXTQKZ-LBPRGKRZSA-N 301.346 1.863 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 106809893 VNFXCDFLBWDROW-RAIGVLPGSA-N 323.320 1.815 0 40 DDAB COc1ccnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1 24487091 VAOROKJXXALJAQ-ZDUSSCGKSA-N 318.421 1.960 0 40 DDAB C[C@H](O)CNC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 47673759 SUUAIJGGQPMDGE-GXFFZTMASA-N 322.796 1.843 0 40 DDAB O=C(COC(=O)Cn1cnc2ccccc21)NC1CCCC1 12564554 QQLNWDRQOYCLFN-UHFFFAOYSA-N 301.346 1.638 0 40 DDAB COc1ccccc1C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 3279456 IANKJTFKWGVVPM-VXGBXAGGSA-N 307.346 1.488 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520156 NMDJZUDMLFVBEB-IAGOWNOFSA-N 311.385 1.740 0 40 DDAB O=c1[nH]nc(SCc2csc(-c3ccccc3)n2)c(=O)[nH]1 3225386 BHOURLQXPVHLCI-UHFFFAOYSA-N 318.383 1.874 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C 57476789 RFDSFUVNJBUNPY-SNVBAGLBSA-N 305.403 1.940 0 40 DDAB CN(C)[C@@H](CNC(=O)Cn1ccccc1=O)c1cccs1 44516305 UALOUVUSIREWRJ-LBPRGKRZSA-N 305.403 1.329 0 40 DDAB CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](CO)Cc1ccccc1 110648523 CAFNKTHINKOAQG-PMPSAXMXSA-N 306.406 1.847 0 40 DDAB CC(=O)N1CCCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 10297383 RZZBPFDSEMIQSO-CYBMUJFWSA-N 321.396 1.385 0 40 DDAB Cc1cccc(OCCC(=O)Nc2ccn(CC(N)=O)n2)c1C 58226225 XROAQAQTIGZPKF-UHFFFAOYSA-N 316.361 1.393 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)Nc1cccnc1-n1cncn1 58267170 VGVVGTMUKICYPN-UHFFFAOYSA-N 321.340 1.778 0 40 DDAB CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC)o1 27706180 BGJMHXOSWWAIGV-WDEREUQCSA-N 314.407 1.886 0 40 DDAB C[C@H](C(=O)N(C)Cc1ccc2c(c1)OCCO2)n1cncn1 44908808 YXLNSUTXNGLHEA-LLVKDONJSA-N 302.334 1.269 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1ccnc1 44903277 NPPVFSTYMSTGBG-CYBMUJFWSA-N 302.353 1.932 0 40 DDAB COc1c(CNCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(C)nn1C 58391476 XDVUMTKMEDGXPK-CHWSQXEVSA-N 324.469 1.715 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)O1 17325477 CIKZUXXQZKUZAD-TXEJJXNPSA-N 311.403 1.481 0 40 DDAB CNC(=O)C1CCC(NCc2c(C(C)C)nn(C)c2OC)CC1 58433954 RMHDPDNWFBPHAA-UHFFFAOYSA-N 322.453 1.947 0 40 DDAB CCN1C[C@@H](CN(C)C(=O)Cn2cncn2)Oc2ccccc21 58585760 YCAZOAHBNRCMCZ-CYBMUJFWSA-N 315.377 1.024 0 40 DDAB C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(-n2cncn2)cc1 28439767 VSCGVMFGWVIKIQ-LBPRGKRZSA-N 323.356 1.457 0 40 DDAB Cn1cc(C(=O)NCc2ccc(N3CCCC3)nc2)ccc1=O 48263224 HQRBKNCKVLHJQI-UHFFFAOYSA-N 312.373 1.311 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 3461134 LXCWXRKSWNBTOT-SJCJKPOMSA-N 317.389 1.677 0 40 DDAB COc1ccc(CC(=O)OCC(=O)NC(=O)NC(C)C)cc1 3401322 HPNXVVSFDVNPCV-UHFFFAOYSA-N 308.334 1.015 0 40 DDAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 48465070 FCUZYORTDBHZHR-PWSUYJOCSA-N 319.361 1.249 0 40 DDAB O=C(OCC(=O)N1CCCC1=O)c1cc(=O)c2ccccc2o1 3513409 NVEQCNJQETXATC-UHFFFAOYSA-N 315.281 1.099 0 40 DDAB C[C@@H](C(=O)Nc1ccc(-c2csnn2)cc1)S(C)(=O)=O 48974007 IKKVMKJXGYJCLU-QMMMGPOBSA-N 311.388 1.577 0 40 DDAB CCc1ncc(C(=O)NCCNC(=O)c2cccs2)s1 49175733 IORYHYWEPNBADS-UHFFFAOYSA-N 309.416 1.927 0 40 DDAB CCOCC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 8393262 VXUKWVVEAMYWNC-UHFFFAOYSA-N 305.290 1.255 0 40 DDAB O=C(/C=C/c1ccc(Br)o1)O[C@@H]1CCOC1=O 6066271 NNURYBCJWWQIKB-BYDTYLDUSA-N 301.092 1.914 0 40 DDAB CC[C@](C)(NC(=O)[C@@H](C)NC(=O)c1cccs1)C(=O)OC 69416777 ISFIKWRUIXJDEQ-OTYXRUKQSA-N 312.391 1.324 0 40 DDAB CC1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCCC1 69484288 IMFRXKRQSXBEJY-UHFFFAOYSA-N 320.480 1.062 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1 28224405 VAVCXLKAVMOAKO-PSASIEDQSA-N 302.172 1.502 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCc2nccn2C1 65474213 LBGQIVMGFPWLIL-HWWQOWPSSA-N 313.357 1.543 0 40 DDAB CN(CCNC(=O)c1ccn(-c2cccc(F)c2)n1)C1CC1 65430363 MTYRUEAVDZRMLW-UHFFFAOYSA-N 302.353 1.835 0 40 DDAB Cc1noc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 65531882 TUQVHPRRVUQOPP-CMPLNLGQSA-N 314.345 1.608 0 40 DDAB O=C(O[C@H]1CCOC1=O)c1ccccc1S[C@@H]1CCOC1=O 6424209 IQBPXCQXTKECQV-CMPLNLGQSA-N 322.338 1.567 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C(N)=O)c1ccccc1 69769240 QULNHINVAUPVJU-IKGGRYGDSA-N 315.417 1.688 0 40 DDAB CC(C)CNC(=O)c1cccc(CNC[C@@H]2CN(C)CCO2)c1 69738529 JRRSQSBBKLQVDQ-QGZVFWFLSA-N 319.449 1.493 0 40 DDAB COCCN1CCN(CC(=O)Nc2ccnn2C(C)C)C[C@@H]1C 69740443 VINSGGVBMYUWTG-AWEZNQCLSA-N 323.441 1.055 0 40 DDAB O=C(CCNC(=O)c1ccco1)NCCc1ccccc1F 18825877 JKMKIFKICPZMLV-UHFFFAOYSA-N 304.321 1.898 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H]1Cn1cccn1 69974175 DLKSUOHNPBNGCJ-CJNGLKHVSA-N 313.357 1.714 0 40 DDAB COc1ccc(Br)cc1CN(C)[C@H](C)C(N)=O 7696668 LWJRAEVUMPIRDK-MRVPVSSYSA-N 301.184 1.763 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 8708639 RXCDRCZMGWGSNY-GFCCVEGCSA-N 312.391 1.448 0 40 DDAB COC(=O)C[C@H]1CSCCN1Cc1cn2ccsc2n1 178144280 SQILYVNERICMCP-NSHDSACASA-N 311.432 1.876 0 40 DDAB Cc1cc(=O)c(C(=O)Nc2c[nH]cc(Br)c2=O)c[nH]1 89990501 ONPOHWWMASUAIX-UHFFFAOYSA-N 324.134 1.386 0 40 DDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCc3cccs3)C2)C1=O 89914261 SFKQYWVWCCSJEV-BLLLJJGKSA-N 321.446 1.943 0 40 DDAB O=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)C1CC1 96000668 JBGAUCDFLCMNRK-LBPRGKRZSA-N 318.402 1.342 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 71796609 PXRDWYYMFXNSPB-CQSZACIVSA-N 313.361 1.152 0 40 DDAB CNS(=O)(=O)c1ccc(N2CCOc3ccccc3C2)nc1 71894096 REKTYQCOWYANOT-UHFFFAOYSA-N 319.386 1.389 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cn(-c2cccc(Cl)c2)nn1 67264185 LOWLRTIJHLKKIQ-GFCCVEGCSA-N 306.753 1.830 0 40 DDAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@H](n2cncn2)C1 72272187 SWHJWTRCZMLSGD-CABCVRRESA-N 312.373 1.693 0 40 DDAB O=C1N[C@@H](c2ccc(SC(F)F)cc2)N2CCOC[C@@H]12 97081114 ZKCJQPABFCXCBH-WDEREUQCSA-N 300.330 1.831 0 40 DDAB CC[C@@H]1CCC[C@@H](CN(CCO)[C@@H]2CCS(=O)(=O)C2)C1 97108396 NDRXHBGQXFTEFH-RBSFLKMASA-N 303.468 1.684 0 40 DDAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCCc2c1cnn2C 97159982 CSVFIIUJLCLKMV-OAHLLOKOSA-N 303.410 1.393 0 40 DDAB CC(C)c1nc(CNc2ccc(-n3cc(CO)nn3)cc2)no1 97161614 LIVOTCBPYQYKKM-UHFFFAOYSA-N 314.349 1.878 0 40 DDAB Cc1nc(CNc2ccc(S(=O)(=O)CCO)cc2)cs1 97163437 SEVQIBSDAAZKJN-UHFFFAOYSA-N 312.416 1.830 0 40 DDAB CCNC(=O)C1CN(C(=O)c2oc3c(OC)cccc3c2C)C1 72313809 LDVSSHNNPOLQEE-UHFFFAOYSA-N 316.357 1.958 0 40 DDAB CN(C)Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)no1 95456816 CXQPIQIVMKZFSD-LBPRGKRZSA-N 301.346 1.470 0 40 DDAB CSCCCN1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 78896277 KXMYPEYMJDTHJJ-HOCLYGCPSA-N 313.511 1.614 0 40 DDAB O=C1C[C@H](NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CN1 95996754 NFSRYFSPHWFWCX-QWRGUYRKSA-N 300.280 1.727 0 40 DDAB CN(C)C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 95955675 CYYXNQQEGRJKKQ-HNNXBMFYSA-N 314.389 1.810 0 40 DDAB CS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCCO3)cn1 95949707 GAMUZEMKSMKGQT-UHFFFAOYSA-N 320.370 1.868 0 40 DDAB O=C1CN(c2ccc(Nc3cnc4ccccc4n3)cn2)CCN1 85876839 ITKLSTMUQWCWDH-UHFFFAOYSA-N 320.356 1.705 0 40 DDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 27974925 BBAUPQRGBJHVIF-UHFFFAOYSA-N 305.787 1.017 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1COC2(CNC2)C1 1548570358 VYEJKTKEGSWPPK-YPMHNXCESA-N 308.353 1.230 0 40 DDAB COC(=O)[C@]1(NC(=O)[C@H]2CCCc3ccccc32)C[C@@H](O)C1 1548774395 RYISXVFPAMVZNZ-RVSPLBMKSA-N 303.358 1.289 0 40 DDAB FC(F)(F)c1nsc(N2CCN(c3cnccn3)CC2)n1 547762907 MALONWJDUWEPHQ-UHFFFAOYSA-N 316.312 1.674 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1 31071385 RZRHDELBXAFULJ-UHFFFAOYSA-N 312.322 1.013 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N1C(=O)CCCc2ccccc21 33249616 ZZJKBQUOKBYMDE-CYBMUJFWSA-N 302.374 1.603 0 40 DDAB CCOC(=O)Cc1ccc(CC(=O)OCC)c(NC(C)=O)c1 3845561 KVHUYAAYEUCPCY-UHFFFAOYSA-N 307.346 1.856 0 40 DDAB biogenic Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)c2nnc(C)o2)n[nH]1 1032300304 WOCPQPHTQYPVEC-USWWRNFRSA-N 316.365 1.069 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H]3NCCS[C@@H]3C2)cc1 39175803 RDBZGGDYXYAFFO-ZIAGYGMSSA-N 312.460 1.463 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)cc1 37414581 UJVHLUFDHZXNJW-WCQYABFASA-N 313.375 1.019 0 40 DDAB COc1ccc(OC)c(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)c1 33452412 VRYCAINCYXJNST-PXTSUWAFSA-N 307.346 1.942 0 40 DDAB Cc1ccc(N2CCC[C@@H](N3CCS(=O)CC3)C2=O)cc1 75720600 SKBBGSNCHORCMS-OAHLLOKOSA-N 306.431 1.555 0 40 DDAB Cc1ccccc1OCC(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 238874782 NTTXOXCTPSHYOJ-KBMXLJTQSA-N 305.374 1.827 0 40 DDAB CCc1nnc(Sc2c(N)cc(C(=O)O)cc2Cl)n1N 70462528 FFMPLCMGGRYMDL-UHFFFAOYSA-N 313.770 1.639 0 40 DDAB CCN1CCN(C(=O)c2sccc2-n2ccnn2)[C@H](C)C1 565348499 MSMZNJXCUFROBH-LLVKDONJSA-N 305.407 1.495 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc2c(c1)CCC2 77937119 CRGXIRNHLONQDV-GOEBONIOSA-N 316.401 1.781 0 40 DDAB O=C1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]([C@@H]2CCCO2)N1 562552626 MTXLTGYCOGEUNK-SGMGOOAPSA-N 323.780 1.291 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 29625535 YNWIFKMCFINYEX-JTQLQIEISA-N 311.432 1.814 0 40 DDAB COCCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1 40768253 OWBDGCDDWLNBPF-UHFFFAOYSA-N 308.363 1.110 0 40 DDAB Cc1cc(=O)c2cc(C(F)(F)F)ccc2n1Cc1nnn[nH]1 40175544 YSTBVLBZFOOEAI-UHFFFAOYSA-N 309.251 1.890 0 40 DDAB Cc1cccc2c1cnn2CCC(=O)NCCN1CCOCC1 40769009 QBWVLQBSHGAKQE-UHFFFAOYSA-N 316.405 1.183 0 40 DDAB CCn1c(CN2CC(S(=O)(=O)CC)C2)nc2ccccc21 571625866 BEVIOPGTMJGVQJ-UHFFFAOYSA-N 307.419 1.675 0 40 DDAB CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 195544802 NBXJKFPIDZMLAM-HOTGVXAUSA-N 314.389 1.206 0 40 DDAB COCC(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 96049429 VSVWAMRXBIGBIT-UHFFFAOYSA-N 316.401 1.817 0 40 DDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccco1)C2 97953376 UWPZMXACZISPRK-GDBMZVCRSA-N 306.362 1.425 0 40 DDAB CCc1cnc(CN(C)C(=O)N[C@@H](C)c2nncn2C)s1 332342177 SFXDKAVRHGRYFD-VIFPVBQESA-N 308.411 1.737 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)cn1 530359844 WNYRKTAKEUXWKM-LSDHHAIUSA-N 315.377 1.388 0 40 DDAB CN1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)C1 96201916 BJZLSDIHKQPWDN-KRWDZBQOSA-N 304.390 1.569 0 40 DDAB CCN(C)S(=O)(=O)NC[C@H](O)c1cc2ccccc2s1 95433407 MUVMPNCZLRCRJJ-NSHDSACASA-N 314.432 1.721 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3ccc(C)o3)[C@@H]2C1 96111061 QXJFJQMATJSMNM-ZNMIVQPWSA-N 322.405 1.396 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@H](c3nccs3)C2)no1 97203905 XBDDMCMGXJABBK-JTQLQIEISA-N 308.363 1.452 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@H]12 96251860 WZTNHPNSJFQWOQ-JKSUJKDBSA-N 322.430 1.211 0 40 DDAB Cc1nc(N2CCOCC2)nc2c1CN(c1ccccn1)CC2 96083689 ZDWZANMCFCJDEW-UHFFFAOYSA-N 311.389 1.579 0 40 DDAB CCN1CC[C@@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96100229 CQWZFLOGTWPQDX-KRWDZBQOSA-N 318.421 1.115 0 40 DDAB CC(C)Oc1ccc(C(=O)Cn2cnnc2[S@@](C)=O)cc1 96447779 WCXUZXQIGURERO-NRFANRHFSA-N 307.375 1.686 0 40 DDAB Cn1cc(CN2Cc3ncn(C)c3[C@H](COCC3CC3)C2)cn1 96044896 JEHPIVJWRARQMF-HNNXBMFYSA-N 315.421 1.680 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 96219019 JUBBFSAEELTZFB-RHSMWYFYSA-N 312.373 1.895 0 40 DDAB O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257227743 FQRZROAOHNXIKT-BFYDXBDKSA-N 303.406 1.118 0 40 DDAB Cc1nc(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)co1 257252685 JVSGGKPRGQHGBZ-RBSFLKMASA-N 307.394 1.433 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C1 257228731 FVABFUIAKZWXQU-CQSZACIVSA-N 322.372 1.929 0 40 DDAB CO[C@H]1CCN(c2ccc(C(=O)N3Cc4cncnc4C3)cc2)C1 252498359 QZPIQIMOOMXOMV-INIZCTEOSA-N 324.384 1.858 0 40 DDAB CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CC[S@@](=O)C1 252495525 OSBSYTCRRQSTRO-JLCFBVMHSA-N 324.446 1.802 0 40 DDAB CC(C)(C(=O)N1CCC[C@@H](Cc2cccnc2)C1)n1cncn1 257259896 LAORMHGKHIYAQQ-HNNXBMFYSA-N 313.405 1.890 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 257280082 OJJAIERFLIRCKT-OAHLLOKOSA-N 301.394 1.753 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H]1c1ccn[nH]1)N(C)CC(F)(F)F 287215760 VJNVPJUTRVOEME-GXSJLCMTSA-N 304.316 1.956 0 40 DDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCc3ccoc3)cc21 96026019 BJGKWAORRYRUBR-UHFFFAOYSA-N 322.342 1.246 0 40 DDAB Cn1cc(-c2noc(CNC(=O)Cc3cccs3)n2)cn1 390831260 QTLMLQWBFXDIIH-UHFFFAOYSA-N 303.347 1.391 0 40 DDAB CCc1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)s1 575423745 QBOQLQDPSYSWQW-RKDXNWHRSA-N 302.446 1.171 0 40 DDAB Cn1cccc(C(=O)NC2(c3cccs3)CCOCC2)c1=O 575603453 GHTUDNZFXYUOTN-UHFFFAOYSA-N 318.398 1.883 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccoc2C)Cc2cccn2C1 585099032 DASYNWHFFHJVJA-ZDUSSCGKSA-N 315.373 1.798 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1ccnc(F)c1)C2 585111015 RDIGZPFIMRMXDQ-ZDUSSCGKSA-N 318.352 1.823 0 40 DDAB Cc1cccc(OCCNC(=O)CN2CCC(CO)CC2)c1 46091292 YITLDZICVLJZGE-UHFFFAOYSA-N 306.406 1.194 0 40 DDAB Cc1cn(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc12 50311076 MWNWNYRPWMTYFD-ZDUSSCGKSA-N 320.414 1.501 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)NCCC(=O)N1CCOCC1 56676986 DJUYKUGNYHAKHI-SNAWJCMRSA-N 324.327 1.343 0 40 DDAB Cc1ccc(C(=O)NCCN2c3ccccc3C[C@H]2C)c(=O)[nH]1 68293255 GVSSVLUYROFBOG-CYBMUJFWSA-N 311.385 1.864 0 40 DDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](n2cccn2)C1 69519403 PDZYEYIAGLPRAW-GXTWGEPZSA-N 302.378 1.058 0 40 DDAB CCc1nnc2n1C[C@@H](CNc1nn3cc(C)nc3s1)CC2 69560927 ZRHUQKGCPBUCMD-SNVBAGLBSA-N 317.422 1.928 0 40 DDAB CN(C)S(=O)(=O)NCCCc1cccc(Br)c1 66581405 UUZGTPCREPMMIG-UHFFFAOYSA-N 321.240 1.778 0 40 DDAB CC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCN(C)C3=O)cc21 95399542 RNALGEBLWADGEN-CYBMUJFWSA-N 315.377 1.969 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4F)C(=O)[C@@H]13)O2 100018556 NRDULVCAICMSGX-BCUIYNNISA-N 303.289 1.192 0 40 DDAB Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)cc1 5420648 ZXRPDBDIBLUWFT-UHFFFAOYSA-N 320.370 1.287 0 40 DDAB COC(=O)[C@@H]1CON(Cc2ccccc2)[C@@H]1CC1(C)OCCO1 5741785 LAVQAPOQNOBNDN-HUUCEWRRSA-N 321.373 1.745 0 40 DDAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3C)C[C@H](C)O1 11676805 KSNMOHJHMIJONB-UWVGGRQHSA-N 321.406 1.091 0 40 DDAB O=C(O)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1c1ccc(F)cc1 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CN(C)[C@H](CNC(=O)C(=O)NC1CCCCC1)c1ccco1 10330912 GYDSDAGOEBQMIX-CYBMUJFWSA-N 307.394 1.447 0 40 DDAB COCC(=O)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 2055824343 AHGLTZOWIKHXSA-KRWDZBQOSA-N 322.380 1.670 0 40 DDAB CCS(=O)(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206846317 RQHREJHRKWDUPI-GFCCVEGCSA-N 323.374 1.485 0 40 DDAB C[C@]1(C(=O)C2=NNC[C@H]2c2cccc(Br)c2)CO1 520184 PSWXULULFFXBAS-GXFFZTMASA-N 309.163 1.850 0 40 DDAB CC(C)OCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1 1726060 UCNKUATVTXYJBU-UHFFFAOYSA-N 315.395 1.072 0 40 DDAB CCC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)O 36838194 IVYGAYFMZLYYGH-JTQLQIEISA-N 321.782 1.880 0 40 DDAB CCCC[C@@H](CC)CN(CP(=O)(O)O)CP(=O)(O)O 2572931 VCBDDOWPXBJZFB-SNVBAGLBSA-N 317.259 1.775 0 40 DDAB COc1ccc(OCCN2CCC[C@H]2C(=O)NC2CC2)cc1 45957472 MRIFAIMUOYFJPF-INIZCTEOSA-N 304.390 1.817 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)cc1 4362060 DFJORAFRJYBLAR-MELADBBJSA-N 305.353 1.554 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccccc1 20890214 XBJJOOJYKFOYJY-UHFFFAOYSA-N 323.374 1.599 0 40 DDAB COc1ccc([C@H](NC(=O)[C@H]2CCCO2)c2nccn2C)cc1 32301515 MBRHZZMSNMTIMF-CABCVRRESA-N 315.373 1.813 0 40 DDAB CNC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 20953565 YMAQAOMLMFCGHV-UHFFFAOYSA-N 315.339 1.569 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccccc1)C2 108527697 MXDDOZQEAAGJSQ-YJBOKZPZSA-N 300.402 1.994 0 40 DDAB NC(=O)C1CCN(C(=O)NCCCCc2ccccc2)CC1 32855769 YSOHJGQAVKGSHW-UHFFFAOYSA-N 303.406 1.916 0 40 DDAB COc1ccc(CC(=O)NCC(C)(C)N2CCOCC2)cc1 21911081 MTNOVHZFXLRZKJ-UHFFFAOYSA-N 306.406 1.465 0 40 DDAB CCOc1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)cc1 52975397 DNWLHJQKRZWWQZ-CQSZACIVSA-N 301.350 1.436 0 40 DDAB CC(=O)N1CCC[C@@H](S(=O)(=O)Oc2cccc(F)c2)C1 69702065 CRWDUXIZJMNVOM-CYBMUJFWSA-N 301.339 1.545 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)N1CCCC[C@H]1C)c(=O)[nH]n2C 69700860 MFTNMEDRGCXPAM-SNVBAGLBSA-N 316.405 1.822 0 40 DDAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1cncc(F)c1)C2 108532978 GCTNOJLYSMPQHB-CJNGLKHVSA-N 305.353 1.599 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CC=CCC1 12224237 BLPSKPIBUFBDIY-HNNXBMFYSA-N 301.390 1.891 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCCOc1cccc(Cl)c1 47023646 CQFAOZBDURYSSJ-AWEZNQCLSA-N 310.781 1.846 0 40 DDAB O=C(Nc1ccc(CCO)cc1)[C@@H]1CCCN1C1CCOCC1 104391337 XRTFCNKPRLZKDJ-KRWDZBQOSA-N 318.417 1.803 0 40 DDAB CN(C)c1nc2c(c(N)nn2-c2ccc(Cl)cc2)c(=O)o1 1389443 QTJSWOPYMHSKNE-UHFFFAOYSA-N 305.725 1.675 0 40 DDAB COc1ccccc1[C@@H](C)N(C)CCC(=O)N1CCOCC1 47888561 TZCXDKXSKCSWQL-CQSZACIVSA-N 306.406 1.937 0 40 DDAB CCn1c(C)cc(C(=O)N2CCN(c3cnccn3)CC2)c1C 25834825 SDRGLGWACIYMGL-UHFFFAOYSA-N 313.405 1.877 0 40 DDAB COCc1nc2n(n1)CCC[C@@H]2N[C@H]1CN(C(C)C)C[C@@H]1C 108116500 ATOSQAMYQAFERW-IHRRRGAJSA-N 307.442 1.578 0 40 DDAB COc1cccc(N2CCN(c3cc(NN)ncn3)CC2)c1 44841913 ZTFJAOKPVJHSKC-UHFFFAOYSA-N 300.366 1.097 0 40 DDAB CC(=O)NCCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 27672217 FXZKBHMWJNHARE-UHFFFAOYSA-N 305.378 1.537 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](C(N)=O)C1 58213896 BNPTXOPSXURQSB-ZFWWWQNUSA-N 303.406 1.915 0 40 DDAB C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1 44945994 IDLBROPBWAPIHA-PWSUYJOCSA-N 322.386 1.980 0 40 DDAB CC(=O)N1CCCN(Cc2csc(-c3ncccn3)n2)CC1 44974297 GLYDUJBMWKNMAI-UHFFFAOYSA-N 317.418 1.654 0 40 DDAB C[C@@H]1COCCN1C(=O)CN1C(=O)CSc2ccccc21 44912617 JCBGMZYNQKYNBN-LLVKDONJSA-N 306.387 1.373 0 40 DDAB O=C(NCc1cc[nH]n1)NC1CCN(Cc2ccccn2)CC1 44968493 KHYZXYZZJASIPJ-UHFFFAOYSA-N 314.393 1.269 0 40 DDAB Cc1noc(CCNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n1 58357527 PFQKWMXINQDOPM-ZDUSSCGKSA-N 318.308 1.369 0 40 DDAB O=C(CCn1cncn1)Nc1nnc(-c2ccccc2)s1 69453858 NAUWZZBIXRSQER-UHFFFAOYSA-N 300.347 1.825 0 40 DDAB COc1cc(CNC(=O)Cn2cnc3ccccc3c2=O)ccn1 48332730 LATMRZWILUZGAS-UHFFFAOYSA-N 324.340 1.117 0 40 DDAB Cc1ccccc1COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 3447262 WMHYDPBKAHVTEY-UHFFFAOYSA-N 324.336 1.742 0 40 DDAB O=C(NCCCn1cccn1)NC[C@@H](O)c1ccc(F)c(F)c1 49244000 VQDDLXWQGKBWAT-CQSZACIVSA-N 324.331 1.584 0 40 DDAB COC(=O)CCNC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 69535100 KGKOXAJMQKRQBY-GFCCVEGCSA-N 310.394 1.237 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1nccc(-c2ccco2)n1 13644992 TVVKIZFIKJRAQG-UHFFFAOYSA-N 313.273 1.421 0 40 DDAB O=C(Cn1cnc2cc3c(cc21)OCCO3)NC[C@H]1CCCO1 64794756 MOKPYPCCTCTUNK-LLVKDONJSA-N 317.345 1.103 0 40 DDAB c1ccc(-n2cc(CN3CCC[C@@H](Cn4cncn4)C3)nn2)cc1 69923571 ORYPXUFCHFGJSR-OAHLLOKOSA-N 323.404 1.771 0 40 DDAB O=C(NC1CCC(O)CC1)c1cccc(CN2CCCC2=O)c1 14201741 DALGLKOFUIUHDV-UHFFFAOYSA-N 316.401 1.842 0 40 DDAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 4602141 DZJCYKSNJIERGG-UHFFFAOYSA-N 310.310 1.423 0 40 DDAB COc1ccc(OC)c(NC(=O)C(=O)NCc2cccnc2)c1 4703117 WPHRHZZLJXRRNB-UHFFFAOYSA-N 315.329 1.354 0 40 DDAB O=C1C=C(N2CCC(O)CC2)C(=O)N1c1ccc(Cl)cc1 4770839 TVPJXPTWZGMGTJ-UHFFFAOYSA-N 306.749 1.554 0 40 DDAB COc1cc(CC(=O)NCc2ccccn2)cc(OC)c1OC 5898685 DLJFXQODRQSDAQ-UHFFFAOYSA-N 316.357 1.966 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(c2ccccn2)CC1 16638402 ZQHAKCKPCMWSMH-UHFFFAOYSA-N 300.362 1.578 0 40 DDAB Fc1cnc(N2CC[C@@H]3[C@H]2CCN3CC2CCOCC2)nc1 306128126 GQTWSXMQMGKQPK-HUUCEWRRSA-N 306.385 1.695 0 40 DDAB CCCNC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 8193687 ZGCFEBMBYRYRGV-UHFFFAOYSA-N 321.373 1.848 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 70040666 XZYKWPVXMVGKQS-CABCVRRESA-N 302.353 1.713 0 40 DDAB O=C(N1CCCC1)N1CC2(C1)OCC[C@H]2COc1ccccn1 306125322 CMODIZNBWLGVPT-AWEZNQCLSA-N 317.389 1.767 0 40 DDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCCc1ccccn1 9470917 OLAGHNHXRCWGIB-UHFFFAOYSA-N 318.402 1.427 0 40 DDAB CN(C)CCn1ccc2ccc(NC(=O)[C@H]3COCCO3)cc21 96418427 BNLVXVXHPQSPDY-MRXNPFEDSA-N 317.389 1.557 0 40 DDAB Cc1ccc(N2CCC[C@H](NCCOCC(F)(F)F)C2)nn1 71859786 OYRIKFGGDZBILB-LBPRGKRZSA-N 318.343 1.922 0 40 DDAB CNC(=O)[C@H](NC(=O)[C@H](C)c1ccc2c(c1)OCCO2)C(C)C 89775883 IWXHFQBWAVEGJB-IAQYHMDHSA-N 320.389 1.448 0 40 DDAB CC(C)CCc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1 71909477 KCAXUWGPXWDSBI-CQSZACIVSA-N 324.446 1.832 0 40 DDAB Cn1cc(CNC(=O)NCCOc2ccc(F)c(F)c2)cn1 72270162 XTTJCFJGRJALTF-UHFFFAOYSA-N 310.304 1.577 0 40 DDAB c1ccc(-c2nc3c(c(N[C@H]4CCCNC4)n2)CCNC3)cc1 67676338 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COc1cccc2c1OC[C@H](C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)C2 78894547 PMWXJEQUOTVXHZ-YUELXQCFSA-N 318.417 1.655 0 40 DDAB Cc1ccc(CCCC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)s1 79800666 FPLBUZNEVALBPY-CYBMUJFWSA-N 320.414 1.785 0 40 DDAB CCc1c(O)nc(SCC(=O)NCc2ccccc2)[nH]c1=O 20191122 XSKVAESAVFDBSO-UHFFFAOYSA-N 319.386 1.446 0 40 DDAB CCCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245766 RXJFYJJJDJDOPS-UHFFFAOYSA-N 313.423 1.459 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(-c2cccnc2)c1 188614131 NNPOFJJMYCQPBV-DLBZAZTESA-N 312.369 1.857 0 40 DDAB CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O 75893527 FITGLAPMWHHAFX-FZMZJTMJSA-N 312.373 1.705 0 40 DDAB OCCN1CCO[C@H](COc2ccccc2Br)C1 217496328 GRWMIPHQVNRYJN-NSHDSACASA-N 316.195 1.521 0 40 DDAB C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(N)c2)C1 215657545 SDMYVUHNBSYRRX-QWHCGFSZSA-N 311.451 1.668 0 40 DDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1nncs1 72400951 LFAYBOXXSXOFIJ-UHFFFAOYSA-N 324.757 1.299 0 40 DDAB COc1cc(C(=O)N[C@@H]2CCCc3nc(C)ncc32)nn1C 72242578 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40 DDAB CN(C)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1 96143911 SGABDRIUJQELFB-FUHWJXTLSA-N 300.402 1.985 0 40 DDAB CCc1nnc(NC(=O)NC[C@H](c2cnn(C)c2)N(C)C)s1 96410589 CYGMWKKRGABNFT-SNVBAGLBSA-N 323.426 1.258 0 40 DDAB CCS(=O)(=O)N1CCc2onc(COc3ccccn3)c2C1 96085097 KRWYLHZVQXSNIU-UHFFFAOYSA-N 323.374 1.356 0 40 DDAB COCCC(=O)N1C[C@@H]2[C@@H](C1)CN2Cc1ccc(OC)c(F)c1 96080514 RDHSLNLAUJOYIN-UKRRQHHQSA-N 322.380 1.513 0 40 DDAB CCOC[C@H]1CCC2(CCN(C(=O)c3ccnn3C)CC2)N1C 96207164 OTDUJQSBASFVPZ-CQSZACIVSA-N 320.437 1.526 0 40 DDAB Cn1cc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cn1 96192246 QYVBWJAWWFNKFP-CQSZACIVSA-N 312.373 1.132 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3ccco3)C[C@H]21 96248817 MHJPWMOGUNGJDH-SJORKVTESA-N 317.389 1.970 0 40 DDAB CC(C)N(C)[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]2CCCO[C@@H]21 97953433 IGRPHQXUCWOESF-BBWFWOEESA-N 306.454 1.740 0 40 DDAB Cn1cnc2c1CCN(C(=O)CC1CC1)[C@H]2CN1CCCC1 96259800 WRUPRIVEYGQWLP-HNNXBMFYSA-N 302.422 1.742 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96064886 JQBQUEADGJGIBG-YNEHKIRRSA-N 309.435 1.505 0 40 DDAB O=C(COCc1nc(-c2cccnc2)no1)N1CCCCC1 96182110 KSAIGVCDQHCXSF-UHFFFAOYSA-N 302.334 1.661 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2cncn2C1 96208953 JZZQPUVBLTWYHY-CYBMUJFWSA-N 305.403 1.792 0 40 DDAB C[C@@]1(NC(=O)Nc2cnn(CCN3CCCCC3)c2)CCOC1 91170279 ZNZCFNUESXDPRX-MRXNPFEDSA-N 321.425 1.670 0 40 DDAB COc1cccc(N2CCC[C@@H](NC(=O)[C@H]3CCCO3)C2)c1 248154780 YILRELGMJAEKMZ-CZUORRHYSA-N 304.390 1.959 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(COC)C(N)=S 242728106 YTHJRHNUFOVUBX-BZPMIXESSA-N 313.444 1.506 0 40 DDAB COCCC(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257335414 YKBAPSNURPNHAH-HZSPNIEDSA-N 304.394 1.186 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257277473 NYCUFIKIPCYPBG-CQSZACIVSA-N 310.361 1.977 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2cnco2)n1 257326329 WWVGCHCUPRNLDL-GFCCVEGCSA-N 315.333 1.078 0 40 DDAB CC(=O)N1CCCC[C@@H]2CN(C(=O)CN3CCCC3)CC[C@H]21 257312939 UQHSALURKJHESD-HZPDHXFCSA-N 307.438 1.332 0 40 DDAB COCC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 257284877 PERVUPZLTCNTDS-WMLDXEAASA-N 302.374 1.298 0 40 DDAB CCCc1nnsc1C(=O)N1CCN(C[C@H](O)C2CC2)CC1 85436575 XJSFQWLYDDQFKX-ZDUSSCGKSA-N 324.450 1.019 0 40 DDAB C[C@@H](c1noc([C@@H](C)NS(C)(=O)=O)n1)c1cccs1 273750724 BBMZHNFAEBYUNA-HTQZYQBOSA-N 301.393 1.893 0 40 DDAB CCc1ccc(NC(=S)N[C@H]2C=CS(=O)(=O)C2)s1 575422021 KJCVOSFRVWPXJO-QMMMGPOBSA-N 302.446 1.908 0 40 DDAB O=C(C1CC(F)C1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 585100009 TUGSPRIPZQVOSB-NRXISQOPSA-N 310.413 1.980 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1cnn(C)c1)[C@H]2C 585097448 KDZDCYIWUGOPFP-LBPRGKRZSA-N 317.393 1.413 0 40 DDAB Cc1snnc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2CC1CC1 585107696 YRICCTANKRSJGF-WDEREUQCSA-N 306.391 1.072 0 40 DDAB CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H](C)n1cncn1 57378971 CITSOSWNANJRAK-CYBMUJFWSA-N 315.377 1.004 0 40 DDAB NC(=O)CCCNC(=O)[C@@H](OCC(F)(F)F)c1ccccc1 56981925 YKURETIMNRZPIW-LBPRGKRZSA-N 318.295 1.688 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](C)N(C)C1CC1 57720424 VHKKYOMKFSTXFY-LBPRGKRZSA-N 324.446 1.611 0 40 DDAB Cc1c(C(=O)OCCN2C(=O)CNC2=O)oc2c(C)cccc12 64035328 YNANXOFEQVQXEU-UHFFFAOYSA-N 316.313 1.758 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(Cc3cccnc3)CC2)n1 68126763 JMQVAZRGORYCCU-UHFFFAOYSA-N 312.421 1.568 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2coc(NC(=O)C3CC3)n2)n1 70638721 DCWDPOKMCOTTPN-UHFFFAOYSA-N 317.349 1.266 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCOC[C@@H]2CN(C)C)c1 85469848 LNHYCQWIGBWTCC-ZDUSSCGKSA-N 308.378 1.106 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cscn3)CCO2)n1 76046221 UNIOVSFPNICBJO-SNVBAGLBSA-N 307.379 1.427 0 40 DDAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N(C)C)nc1 22421308 SAFPANZKTLVUFZ-JTQLQIEISA-N 318.402 1.966 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccnn2C)c1 24650666 MYMRFZPPNJSAPS-IAQYHMDHSA-N 312.373 1.945 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCCNC(=O)c1ccccc1 31727997 TVAJFHYTINJFLT-SNVBAGLBSA-N 318.295 1.500 0 40 DDAB FC(F)(F)c1cc(OC2CN(Cc3ncon3)C2)ccn1 1776009872 VPUMPXVEPMHSBT-UHFFFAOYSA-N 300.240 1.747 0 40 DDAB CN(C)C(=O)NC[C@H]1CC12CCN(C(=O)C1(F)CCC1)CC2 1565544625 ORLDNUJPJVFBIM-GFCCVEGCSA-N 311.401 1.779 0 40 DDAB COCCN1CC2(CCN(C(=O)C3(F)CCC3)CC2)CC1=O 1565544839 SRQSAIREYZDVQC-UHFFFAOYSA-N 312.385 1.366 0 40 DDAB COC1(CC(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CCC3)C2)CCC1 1565549923 JOFHZWIVMWQOMZ-YOEHRIQHSA-N 320.433 1.853 0 40 DDAB CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 2403807 RXACAGTWPFPNKS-ZDUSSCGKSA-N 317.345 1.450 0 40 DDAB COc1ccc(C(=O)NCc2nnnn2-c2ccccc2)cc1 16953390 QUIXDAWQBYKGAK-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB Cc1cnc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)cn1 2055730161 GQEHAPDAKVLCIK-NSHDSACASA-N 315.377 1.122 0 40 DDAB COCC(=O)N1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751171 OVRCHBSHJSCDKZ-QGZVFWFLSA-N 319.405 1.194 0 40 DDAB CN(C)c1nccc(CNC(=O)c2ccc3c(c2)OCO3)n1 206728662 CRYHUPNTOQAHMB-UHFFFAOYSA-N 300.318 1.201 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N(CCO)c1ccccc1 585149825 QQEPLYIPIDXWNR-KBPBESRZSA-N 304.390 1.420 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 73099000 HAMFWHZKCXOIQT-NSHDSACASA-N 321.402 1.369 0 40 DDAB C=CC(=O)OC[C@H](C)OC[C@H](C)OC[C@H](C)OC(=O)C=C 100046427 LJRSZGKUUZPHEB-AVGNSLFASA-N 300.351 1.644 0 40 DDAB CCONC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 50171812 SEVXWDRDEHYVQW-AWEZNQCLSA-N 320.389 1.762 0 40 DDAB O=C(Cn1ccccc1=O)NCc1ccc(N2CCCC2)nc1 40497929 KZOZGRLJFDHMPS-UHFFFAOYSA-N 312.373 1.160 0 40 DDAB CN(C(=O)CCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 40498779 GFIBGWLQXUIPIR-GFCCVEGCSA-N 315.366 1.240 0 40 DDAB Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)on1 40474116 OBNWEFLZKZEGST-UHFFFAOYSA-N 314.345 1.934 0 40 DDAB COc1cc(-c2noc(CCC(N)=O)n2)cc(OC)c1OC 2438214 LHXLAMMIXPQODJ-UHFFFAOYSA-N 307.306 1.180 0 40 DDAB Cn1c(=O)c2c(nc(CCCC3CCCCC3)n2C)n(C)c1=O 1596702 IBRDJABQTYULSU-UHFFFAOYSA-N 318.421 1.874 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1N 3486464 PUHDCTMIMCPNRX-UHFFFAOYSA-N 311.798 1.993 0 40 DDAB C[C@H]1C[C@H](N2CCCN(C(=O)Oc3ccccc3)CC2)C(=O)O1 72074136 HBTVJSMNZJCYLJ-ZFWWWQNUSA-N 318.373 1.897 0 40 DDAB CC(C)OCCCNC(=O)c1cccc(CS(C)(=O)=O)c1 20906960 WBVXGJVQNIFKAX-UHFFFAOYSA-N 313.419 1.776 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)cc(OC)n2)C1 4967438 FNWVYHYOJUGYRN-DGCLKSJQSA-N 306.410 1.925 0 40 DDAB Cc1cccc(C)c1N(CC(=O)NCC(C)C)S(C)(=O)=O 4995451 RDPBLZWSZVEWNL-UHFFFAOYSA-N 312.435 1.842 0 40 DDAB COc1ccccc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 102239418 NITZMBBMSOTMBK-AYMWWVTDSA-N 317.410 1.670 0 40 DDAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3cncc(F)c3)CC2)C1 108526785 VXMNUQOAOQLBEH-HNNXBMFYSA-N 321.396 1.936 0 40 DDAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC)C1=O 32859593 VEJYUUJYTVQLRM-CQSZACIVSA-N 309.753 1.243 0 40 DDAB COCCNC(=O)CSc1nnc(C)n1Cc1ccccc1 2624755 HCPTYBFVUWJONW-UHFFFAOYSA-N 320.418 1.490 0 40 DDAB COc1cc2c(cc1OC)-c1cc(N(C)C)nc(=O)n1CC2 491302 JZTIALSUKVPOMK-UHFFFAOYSA-N 301.346 1.550 0 40 DDAB biogenic O=C(NC1CC2(CCN(CC3CC3)CC2)C1)c1ccnnc1 108530444 UCQRIXAJNKQPJU-UHFFFAOYSA-N 300.406 1.861 0 40 DDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1C[C@H]1CCOC1 107781126 YPMVJZHKSMBVNW-CHWSQXEVSA-N 318.421 1.322 0 40 DDAB O=C(Nc1ncccc1O)[C@H]1CCCN(C(=O)c2ccco2)C1 22507212 YJNLBGSEGLOFNE-NSHDSACASA-N 315.329 1.871 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2n[nH]c3ccccc23)C1 22693584 JRAXDNRVKDAKKM-CYBMUJFWSA-N 316.405 1.650 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(CN2CCCCC2)cc1 22758697 DYLWEZVXQQGNJI-UHFFFAOYSA-N 303.406 1.538 0 40 DDAB Cc1nc(C)c2c(C)c(C(=O)N3CC[C@@H](C(N)=O)C3)sc2n1 53893777 GLLVMQVKGBBGOJ-SNVBAGLBSA-N 318.402 1.564 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCc2cccc(OCC(N)=O)c2)c1 69742581 JAXOFKKKAUHUQR-UONOGXRCSA-N 316.405 1.795 0 40 DDAB CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)NC)c1C 58159079 SYWPMNZKCBUQRS-NSHDSACASA-N 320.393 1.990 0 40 DDAB O=C(Cc1ccn[nH]1)NCCOc1ccc(C(F)(F)F)cn1 89794217 PAJNCYHZXBAWLY-UHFFFAOYSA-N 314.267 1.561 0 40 DDAB O=C(NCCc1ccc(F)cc1)c1ccccc1-n1cnnn1 12410044 CPSQNVLAFKMQDT-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB CN(C)CCn1cc(NC(=O)CCOc2ccccc2)cn1 61647027 ZRYXBVKAQLTLMZ-UHFFFAOYSA-N 302.378 1.852 0 40 DDAB C[C@@]1(c2cccs2)NC(=O)N(CC(=O)NCC2CC2)C1=O 42603992 LWTBCOXGBJGBBO-AWEZNQCLSA-N 307.375 1.041 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCCS(=O)(=O)C2)o1 69143015 FXVRYNFVAZLUCA-LBPRGKRZSA-N 309.391 1.645 0 40 DDAB CC1CCN(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)CC1 54780017 LNDDOUSAWRAMTF-UHFFFAOYSA-N 324.469 1.228 0 40 DDAB CC(C)(C)C(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 12533474 PVWZFHGMBUDCPW-UHFFFAOYSA-N 321.396 1.637 0 40 DDAB COC(=O)[C@H](NCC(=O)NCc1ccc(Cl)cc1)C(C)C 34863182 YHPKBXHPTHGECF-CQSZACIVSA-N 312.797 1.743 0 40 DDAB Cn1cc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cn1 25305097 RMRBWSAMPOFFPE-UHFFFAOYSA-N 315.329 1.793 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)nc1 56156037 MSMKJPVCUDFSQV-SSDOTTSWSA-N 320.271 1.279 0 40 DDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 35177043 ZZQHYORBBHIYIQ-CYBMUJFWSA-N 318.439 1.382 0 40 DDAB Cc1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1 20489716 MMAGKLNXUDODBP-INIZCTEOSA-N 319.449 1.516 0 40 DDAB CN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21 9134264 ZAEOAXCNDWQKKI-OAHLLOKOSA-N 323.352 1.137 0 40 DDAB C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)NC(N)=O 12539041 OUROAJMWNXNDGW-GWCFXTLKSA-N 307.350 1.240 0 40 DDAB Cc1nc(C)c(CCNS(=O)(=O)c2cnn(C)c2)s1 108404850 HJLFVCMKJXNKGY-UHFFFAOYSA-N 300.409 1.014 0 40 DDAB COc1cc(CC(=O)Nc2ncccc2O)cc(OC)c1OC 57632418 VYZATYBHCDVOGL-UHFFFAOYSA-N 318.329 1.994 0 40 DDAB Cc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)s1 44868214 UQDXZPNJUKCRNO-UHFFFAOYSA-N 318.464 1.366 0 40 DDAB O=C(COC(=O)c1cnccn1)Nc1ccc2c(c1)OCO2 3233240 WILPFGPWGSQYHR-UHFFFAOYSA-N 301.258 1.001 0 40 DDAB COc1cc(NC(=O)[C@@H]2CC(O)=Nc3nncn32)cc(OC)c1 44900847 YPXJZAAZWHJMGP-NSHDSACASA-N 317.305 1.467 0 40 DDAB NC(=O)CC1CCN(Cc2nc(-c3ccsc3)no2)CC1 44951118 KFXDTYIRXLFBGM-UHFFFAOYSA-N 306.391 1.886 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC)o1 44918066 HRSIPQCLHWKQOK-UHFFFAOYSA-N 324.358 1.126 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCC(C)CC3)nc2n1 44952486 KVILNKLRIRKKBR-UHFFFAOYSA-N 316.409 1.203 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)cn1C 58329609 KMNVNABVTCGYDN-GFCCVEGCSA-N 307.375 1.011 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)[C@@H](c1ccccc1)n1cccn1 58324846 ISHSDTSUWXSRDF-OAHLLOKOSA-N 314.389 1.503 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H](C)N(C)C 58365449 KSYCXRMQWJYGNA-SECBINFHSA-N 305.407 1.588 0 40 DDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1=NCCS1 10406823 MBHHJCHGHGUSGX-UHFFFAOYSA-N 312.778 1.873 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1nccs1 58419984 UDZMDPNWXVXRIE-UHFFFAOYSA-N 307.423 1.311 0 40 DDAB COc1cccc(-n2nnc(C(=O)N3CCO[C@@H](C)C3)c2C)c1 48127432 SPVSHLWSPOGWLE-NSHDSACASA-N 316.361 1.445 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C1 62119928 PEEMGAZJTXLFKD-ZETCQYMHSA-N 313.360 1.508 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 12794361 AZZAZMODHIBWFK-QWRGUYRKSA-N 318.373 1.570 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCc2nnc3n2CCC3)c(C)c1 48354516 BADPFQCTECSIEY-UHFFFAOYSA-N 320.418 1.628 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 3462058 LSKVJVSCWJJYBH-MRXNPFEDSA-N 303.362 1.370 0 40 DDAB CCOc1ccc(NC(=O)NC(=O)CN(C)C)cc1OCC 12909959 DUQVMYUZSMCPGJ-UHFFFAOYSA-N 309.366 1.694 0 40 DDAB COCCNC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C 12983841 QAVCGRVKPZXXDJ-UHFFFAOYSA-N 321.421 1.245 0 40 DDAB COCCN(C)CCNC(=O)c1cc2ccccc2oc1=O 69414839 GPVHZZGYSXTKRE-UHFFFAOYSA-N 304.346 1.101 0 40 DDAB O=C(Nc1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 13012986 DIEOOOKTMIZUSW-UHFFFAOYSA-N 309.325 1.991 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 69899809 CLODQSHPTIKLPB-RKDXNWHRSA-N 301.289 1.800 0 40 DDAB O=C(C[C@@H]1N=C(N2CCOCC2)N=C1O)Nc1ccccc1 13691184 ALJSGBJJZRIVQU-LBPRGKRZSA-N 302.334 1.042 0 40 DDAB CCCCOCCCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O 6084796 XMGCQKPZYGONGP-OAHLLOKOSA-N 321.421 1.589 0 40 DDAB CNC(=O)NC(=O)COc1ccc(Br)cc1Cl 6228489 QIVJKSWZADMQAR-UHFFFAOYSA-N 321.558 1.937 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 65472989 RAHBKUZZXYIXCW-NSHDSACASA-N 318.377 1.211 0 40 DDAB CN(C)C(=O)CNc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 65551257 UAKXKSKYLJVMBQ-CYBMUJFWSA-N 319.405 1.031 0 40 DDAB CC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2cc(C)ccc2C)C1=O 14236216 DGKSCCZCSWBFDW-CXAGYDPISA-N 320.389 1.764 0 40 DDAB O=S(=O)(c1ccc(F)cc1Br)N1CCNCC1 15442731 XLILGQOQTNBZAE-UHFFFAOYSA-N 323.187 1.182 0 40 DDAB C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(N)=O 6849589 ROVIEPLNMNEUJS-SECBINFHSA-N 302.286 1.563 0 40 DDAB O[C@H](COCc1cccs1)Cn1nnnc1-c1ccccn1 66738471 XLNFKOXTFLWWQR-NSHDSACASA-N 317.374 1.374 0 40 DDAB COC(=O)c1cccc(NC(=O)CSc2cnnc(O)n2)c1 15859740 BPCPHHPAPAWUJM-UHFFFAOYSA-N 320.330 1.095 0 40 DDAB Cc1csc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 9447916 JUEBJOPWWPUMQK-UHFFFAOYSA-N 319.342 1.549 0 40 DDAB Nc1nc(N2CCN(c3ccccc3F)CC2)c2nc[nH]c2n1 9421198 AINWJYDFMCJKNC-UHFFFAOYSA-N 313.340 1.401 0 40 DDAB Cc1nc(-c2ccccc2)sc1CS(=O)(=O)[C@@H](C)C(N)=O 84064713 CHPITYSEMRTHTC-JTQLQIEISA-N 324.427 1.907 0 40 DDAB O=C(N[C@H]1CCN(c2ccccn2)C1)NC1(CCO)CCC1 96483901 ONVZGZXNPOFDOT-ZDUSSCGKSA-N 304.394 1.265 0 40 DDAB CN(CC(=O)N1CCC(=Cc2ccccc2)CC1)S(C)(=O)=O 96454728 VWRWSVCWCKLKCG-UHFFFAOYSA-N 322.430 1.584 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 9515592 WOUMLJQRUQFZPQ-NSHDSACASA-N 323.393 1.453 0 40 DDAB CCN(C[C@@H](O)c1cccc(O)c1)c1ncnc2c1cnn2C 9532228 GUSCJTKNNCJBJP-CQSZACIVSA-N 313.361 1.629 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(C[C@@H]2CCCO2)C1 89741303 TZAVIAXZXUOSAE-CABCVRRESA-N 319.453 1.378 0 40 DDAB O=C1CCCN1C[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12 306136553 PWQMTVNHBIRMAK-ZMSDIMECSA-N 318.392 1.895 0 40 DDAB CN(CCNC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1 83860920 DFALIRIPXRLVOR-CQSZACIVSA-N 318.421 1.420 0 40 DDAB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)O)C1 83888594 IACZAPQHUMCRKB-AAEUAGOBSA-N 302.330 1.649 0 40 DDAB Cc1nc([C@@H]2CCCN(c3ncc(C(N)=O)cc3Cl)C2)no1 72274828 QEYHNBKCTMXLCM-SECBINFHSA-N 321.768 1.909 0 40 DDAB CCN(CC)c1ccc(NS(=O)(=O)c2cnn(CC)c2)cn1 72275928 PBSGQOHKTZXQKY-UHFFFAOYSA-N 323.422 1.945 0 40 DDAB Cn1c([C@@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)n[nH]c1=S 72285519 ZJJJZKMBHIOXRR-MRVPVSSYSA-N 307.383 1.612 0 40 DDAB C[C@@H](CNC(=O)N(C)Cc1ccccc1)N1CCOC[C@H]1C 72281347 HOMMYRCFPNIKIC-LSDHHAIUSA-N 305.422 1.937 0 40 DDAB O=C(c1cccc2c1OCO2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269168 ZOXVRQMBQDICBJ-KGLIPLIRSA-N 318.373 1.087 0 40 DDAB Cn1cc([C@@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)CCO2)cn1 89919543 DFKXPFIVJOVDHS-CQSZACIVSA-N 308.769 1.789 0 40 DDAB O=C(COC(=O)C1(O)CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 84544023 YNTPGYVOUCZHRB-QWHCGFSZSA-N 311.378 1.005 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 89930525 IIGQTQJHEFZTOU-OAHLLOKOSA-N 302.374 1.634 0 40 DDAB CC1(C2CCN(C(=O)NC3CCC(O)CC3)CC2)OCCO1 84673906 IIVGDFLCQIYACU-UHFFFAOYSA-N 312.410 1.475 0 40 DDAB COC(=O)CC(C)(C)CC(=O)NCc1cccc(C(N)=O)c1 95450555 QLUREYZWZIIFJW-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB C[S@@](=O)CCNC(=O)Nc1ccc(-c2csnn2)cc1 76070183 ZCEVITXUZAJWKB-FQEVSTJZSA-N 310.404 1.705 0 40 DDAB C[C@H](NCC(C)(C)S(C)(=O)=O)c1ccc(-n2cnnn2)cc1 95968925 CVOIWOPYNIXTSQ-NSHDSACASA-N 323.422 1.136 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCO[C@@H]2CCCC[C@@H]21 95960397 UGLSERSVRXXIII-UONOGXRCSA-N 321.421 1.494 0 40 DDAB CN(C(=O)Cc1csc(-c2nc[nH]n2)n1)[C@@H]1CCSC1 95975242 JNUHXCNOOYJBMK-SECBINFHSA-N 309.420 1.435 0 40 DDAB CNS(=O)(=O)CC(=O)NCC1(Cc2ccccc2)CCC1 89392253 AZOVKFHYAGJJKG-UHFFFAOYSA-N 310.419 1.065 0 40 DDAB CCc1nc(CN(C)[C@H]2CCN(Cc3nc(C)c(C)o3)C2)no1 78891588 QLSMKNCDZIMLFR-ZDUSSCGKSA-N 319.409 1.943 0 40 DDAB CCS[C@@H]1CC[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1 86425779 PWVJNPOFZXVIAI-VXGBXAGGSA-N 323.466 1.740 0 40 DDAB COc1ccc(OCCCN2C[C@H]3[C@@H](C2)OCCN3C)cc1 79109544 XVKJSKMGUMDLCT-DLBZAZTESA-N 306.406 1.479 0 40 DDAB O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc(F)cc1 39916382 QHCMKZIIPYXJDV-HIFRSBDPSA-N 320.364 1.695 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)CCCOc1ccc(F)cc1 30267554 JTNLPELADVYDPU-LLVKDONJSA-N 311.357 1.371 0 40 DDAB C[C@H](N)C(=O)N1CC[C@H](CNC(=O)OCc2ccccc2)C1 79412668 PBGLBNZHZAHXEB-GXTWGEPZSA-N 305.378 1.109 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(CN)COC 218084951 KSHXAXZOAQSFCB-QLFBSQMISA-N 313.419 1.187 0 40 DDAB CN(C)c1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1 69120381 JRNRCTUILRSZJQ-UHFFFAOYSA-N 308.407 1.007 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)cn1 72351210 IVGLPVRPWPAFDP-JTQLQIEISA-N 311.349 1.106 0 40 DDAB O=C(O)c1cn([C@H]2CCN(c3ccnc(C4CC4)n3)C2)nn1 564839700 BGQNZAVGXIKCGS-JTQLQIEISA-N 300.322 1.095 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)CC(F)(F)F)C1 225808854 XMGMZBXMUNTAGL-MRVPVSSYSA-N 305.256 1.417 0 40 DDAB O=C(NCCn1cnc2ccsc2c1=O)c1ccsc1 225776169 YELKIIXGTQSXIW-UHFFFAOYSA-N 305.384 1.950 0 40 DDAB C[C@H]1CN(C(=O)Cn2ccc(=O)c3sccc32)C[C@H](C)O1 84705881 PZQDWRSEJBKJJK-QWRGUYRKSA-N 306.387 1.699 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058304 CZKZJUQMJPBEAJ-JKGMGYAYSA-N 321.417 1.728 0 40 DDAB COc1ccccc1-n1cnnc1[S@@](=O)C[C@@H]1CCCCO1 86308706 SAWDAIODNVAOCY-AMXDTQDGSA-N 321.402 1.953 0 40 DDAB COc1ccc(CCCC(=O)N2CCC[C@@H]2C(N)=O)cc1F 84598748 BWWJJWLPUUMMQL-CYBMUJFWSA-N 308.353 1.633 0 40 DDAB CC(=O)N1CCOC[C@@]2(CN(Cc3ccsc3)CCO2)C1 96049902 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314.389 1.948 0 40 DDAB CC(C)CNC(=O)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1 96225440 QIPFOWVQPSVNNK-MRXNPFEDSA-N 305.378 1.773 0 40 DDAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccncc1F 96483100 YPIINGJPOPTLPM-LLVKDONJSA-N 314.320 1.260 0 40 DDAB Cc1cc(Br)oc1C(=O)OCCCNC(N)=O 96442293 FFXMOHKWFZFSOA-UHFFFAOYSA-N 305.128 1.566 0 40 DDAB Cc1ccc(S(=O)(=O)CCCn2nc(C)ccc2=O)cc1 91584517 ZRJAQIACXAGURM-UHFFFAOYSA-N 306.387 1.724 0 40 DDAB COC[C@@H]1CN(Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 96060446 RMWQPPUFOTYLKY-HNNXBMFYSA-N 315.421 1.772 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccco1)C2 96087562 OGHSLAKSGUGAEJ-UHFFFAOYSA-N 302.378 1.972 0 40 DDAB N[C@@H]1CCCCC[C@H]1NC[C@H](N1CCOCC1)C(F)(F)F 332298548 GUKLOPQCDCABPA-UPJWGTAASA-N 309.376 1.499 0 40 DDAB CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2c1cnn2C 96044607 IFTTXDMWPZHRSK-CYBMUJFWSA-N 314.389 1.520 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1cccnc1 96070024 UBQAUMXYFIEEFD-CVEARBPZSA-N 311.389 1.259 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)o2)O1 96057335 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312.373 1.826 0 40 DDAB COCC(=O)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1 12326959 FBBBYPBVBMJCMK-UHFFFAOYSA-N 317.345 1.313 0 40 DDAB CCOc1cc(/C=C2\N=C(C)OC2=O)ccc1OCC(N)=O 2749683 GZBPFZDQJHTAHA-WDZFZDKYSA-N 304.302 1.266 0 40 DDAB CCc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)cc1 4279966 PEDQVWKOJDNFQK-CABCVRRESA-N 320.389 1.799 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)ccn1 529479511 TZEGWBGNZSEGOD-KGLIPLIRSA-N 315.373 1.681 0 40 DDAB CCCCNc1ccccc1C(=O)O[C@H](C)C(=O)NC(=O)NC 4247580 CXGXJGMFVVWTCC-LLVKDONJSA-N 321.377 1.900 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 6011753 NDCFBXPNWAGTFA-HFCZWNMXSA-N 311.378 1.590 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 12862260 DFHQLCYJCRRURF-VIFPVBQESA-N 304.302 1.324 0 40 DDAB Cn1c(N2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)nc2ccccc21 1888881830 FGSCPLHNRZRHEI-KBPBESRZSA-N 320.400 1.936 0 40 DDAB OC1(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)CCC1 2087122209 CHWUEBQHBJCCOA-UHFFFAOYSA-N 317.437 1.114 0 40 DDAB 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CC(C)c1cc(C(=O)Nc2ccon2)nc(N2CCOCC2)n1 96100982 DJNCXKXDTLVQCV-UHFFFAOYSA-N 317.349 1.677 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H](C)N1CCc2ccccc2C1 96412338 IHHARVKADAHWPU-QWHCGFSZSA-N 304.390 1.501 0 40 DDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(c4ncc(F)cn4)CC[C@@H]23)n1 96207402 NKGXZUZTIKMSOJ-RTXFEEFZSA-N 318.356 1.126 0 40 DDAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2S(C)(=O)=O)n1 257334866 YHSCNPKXPXDRDI-LLVKDONJSA-N 307.379 1.272 0 40 DDAB CO[C@H]1CCN(C(=O)CCCn2cccn2)C[C@@]12CCCO2 257296126 RBJOBOWXZURZIH-HOCLYGCPSA-N 307.394 1.460 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccn(C)n2)[C@H](c2ccccc2)C1 257274977 NNMHAMAUZFPWCW-INIZCTEOSA-N 312.373 1.466 0 40 DDAB CCCc1cc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)no1 257202601 AMONZCOMFWDHBN-BPLDGKMQSA-N 318.377 1.626 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](N(C)C)CC2)cc1 257339556 ZCFUUNBEPJIJEA-GJZGRUSLSA-N 312.435 1.071 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2cc(C)on2)n1 257316734 VGTJPNBRPRUXAY-CYBMUJFWSA-N 303.366 1.697 0 40 DDAB 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COCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1nccn1C 12114945 HPFHVMDNBJHNOP-HNNXBMFYSA-N 319.361 1.289 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 4308777 MPRGGKQHJZRWGU-WBMJQRKESA-N 309.410 1.649 0 40 DDAB O=S(=O)(NCCCN1CCc2ccccc21)N1CCCCC1 23058303 PSPQULIJOIMDAU-UHFFFAOYSA-N 323.462 1.760 0 40 DDAB Cc1ncsc1CN1CC[C@H](O)[C@@H](N2CCOCC2)CC1 2037849869 YXSGEFJWZWLPKH-KBPBESRZSA-N 311.451 1.109 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3ccc4c(ccn4C)c3)C[C@@H]2C1 1614936519 DXABHFAHBVXLHA-DOTOQJQBSA-N 313.401 1.581 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N1CC(Nc2cccnn2)C1 618255933 KWENDVUOHQPJQL-CSKARUKUSA-N 316.386 1.573 0 40 DDAB NC(=O)c1cc(N2CCC[C@H](COc3cnccn3)C2)ccn1 2298049126 ROUXVWABQAOVOI-LBPRGKRZSA-N 313.361 1.266 0 40 DDAB C[C@@H]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1 197317 CWGSQWYGNMBLSA-MRVPVSSYSA-N 318.402 1.958 0 40 DDAB NC(=O)[C@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 40480427 FXMVTDBPEXZFBY-LBPRGKRZSA-N 322.372 1.517 0 40 DDAB C[C@H](O)CCNC(=O)NCc1cn(C)nc1-c1ccccc1 96008149 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CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC)[C@H]3C1=O 5177603 CEICVUCFKFAYJL-ZXFNITATSA-N 313.353 1.708 0 40 DDAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCC1 4304772 JISWUVAVBRBCQJ-UHFFFAOYSA-N 307.375 1.062 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)COCC(F)(F)F)C1 69951656 NLSDHODMSSQNMS-LLVKDONJSA-N 305.300 1.934 0 40 DDAB Cc1cccc(CN2CCC(C(=O)NCCN(C)C)CC2)c1 4499455 SAHSTFVABLVNOQ-UHFFFAOYSA-N 303.450 1.885 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)NC[C@@H](C)N(C)C)ccn1 65417376 FNTNBOHLESUDCE-GFCCVEGCSA-N 316.409 1.325 0 40 DDAB COc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CCC(=O)NC2)cc1 65625908 QHNRFVCFEYCGSZ-GXTWGEPZSA-N 304.390 1.611 0 40 DDAB O=C(CCC(=O)N1CCOCC1)NC1C2CC3CC(C2)CC1C3 4616743 VKNGKPHHODLFDS-UHFFFAOYSA-N 320.433 1.566 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C(=O)O)C(C)C)cc1OC 4657731 PIJGYUCXZCXNMM-ZDUSSCGKSA-N 310.350 1.612 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)NC[C@@H]1CCCO1)C(=O)[C@@H](C)O2 4970788 CPKUBPXAPAWDNZ-OLZOCXBDSA-N 318.373 1.404 0 40 DDAB CN(C)c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 9265993 OJTGPHVSUVEYKI-UHFFFAOYSA-N 304.375 1.567 0 40 DDAB C[C@H]1Cc2ccccc2N1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7114859 BEFGRFRPLFJVNB-GXTWGEPZSA-N 322.430 1.083 0 40 DDAB O=C(CSc1ncccn1)NC[C@@H]1COc2ccccc2O1 7122807 CWESSRYRBABAQR-LLVKDONJSA-N 317.370 1.525 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(N)=O)cc1)CS2 7769996 YBXRVCLWNMMIEU-NHYWBVRUSA-N 319.386 1.178 0 40 DDAB O=C(Cc1cn2ccsc2n1)NCc1ccc2c(c1)OCO2 8280874 NEYWKPQFBMRXOH-UHFFFAOYSA-N 315.354 1.983 0 40 DDAB CC(C)[C@H](Sc1nc2ccccc2n1C)C(=O)NC(N)=O 9366145 ZKCDAPLQTVUTCY-NSHDSACASA-N 306.391 1.885 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 96430439 GTDMBLQDFUQVGF-ZDUSSCGKSA-N 310.444 1.769 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCS(=O)(=O)CC2)c(C)c1 71803951 RHSYIFCDESKLKL-UHFFFAOYSA-N 310.419 1.552 0 40 DDAB Cn1cc(C(=O)N2CCN3CCCC[C@H]3C2)c(C(F)(F)F)n1 71839724 BLRIAWFMKGMUQS-JTQLQIEISA-N 316.327 1.749 0 40 DDAB O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn[nH]1 71896675 KVFKPECSAZNCDN-SNVBAGLBSA-N 321.331 1.477 0 40 DDAB Cc1nn(CC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)c1Cl 71829518 LVZLZXACZARWHZ-GZMMTYOYSA-N 312.801 1.266 0 40 DDAB O=C(c1cn2cccnc2n1)N1CCCC[C@@H]1Cn1cccn1 71865295 TYMINTVWESHLAP-CYBMUJFWSA-N 310.361 1.621 0 40 DDAB CCc1cc(NC[C@H]2CNCCOC2)nc(N2CCCCC2)n1 72144861 BXFGEIGWYMUTAC-CQSZACIVSA-N 319.453 1.677 0 40 DDAB CC(C)n1ncc([C@@](O)(c2nccn2C)C(F)(F)F)c1N 9646708 MYWVYNCSNZHVRB-LLVKDONJSA-N 303.288 1.578 0 40 DDAB COc1c([C@H]2CCCN2C(=O)c2ccnn2C)c(C)nn1C 84012451 YLGRPSBFBFLLNB-LLVKDONJSA-N 303.366 1.448 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C)on2)cc1 75568102 MURISEWJCHJRJL-LBPRGKRZSA-N 304.302 1.937 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCCn2ccnc2)o1 72275664 ZZDOPXZVKXNTMX-SWLSCSKDSA-N 317.345 1.849 0 40 DDAB COc1c([C@H]2CCCN2C(=O)[C@H](C)n2ccnc2)c(C)nn1C 72234410 KCVYOAIXFKKHNA-QWHCGFSZSA-N 317.393 1.858 0 40 DDAB COc1ccc2cccc(CC(=O)N3CCS(=O)CC3)c2c1 97021187 KRJFTFGOFPFOIC-UHFFFAOYSA-N 317.410 1.982 0 40 DDAB CC(C)(C)C(=O)NCCNC(=O)NC1Cc2ccccc2C1 97140192 HHUNIHQCBCSLNM-UHFFFAOYSA-N 303.406 1.615 0 40 DDAB O=C(c1ccccc1F)N1CCN(C[C@H](O)C(F)(F)F)CC1 97141578 KQJLQWBAQLGKTI-LBPRGKRZSA-N 320.286 1.507 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CN3C(=O)C[C@@H](C)C3=O)c2cc1C 72312489 GZRQXHHARSAGGN-CHWSQXEVSA-N 315.373 1.409 0 40 DDAB CCOc1ncnc2c1CN(CC(=O)Nc1cc(C)on1)CC2 97201870 MSBCEWJFXGFVLD-UHFFFAOYSA-N 317.349 1.169 0 40 DDAB O=C(Cn1ccccc1=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84606392 FCTHULOJOPPTKT-GFCCVEGCSA-N 314.345 1.472 0 40 DDAB CCc1cnc(CN2CCC[C@@H](CN3CCN(C)CC3)C2)o1 95442009 KESNKOKHPSYLLG-HNNXBMFYSA-N 306.454 1.696 0 40 DDAB NC(=O)[C@H]1COCCN1c1nccc(Oc2ccc(F)cc2)n1 95467539 IJZQLXZTHLQRBU-GFCCVEGCSA-N 318.308 1.099 0 40 DDAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)c2ccccc21 88452310 PEEOXFCZZSKYPC-SECBINFHSA-N 307.331 1.177 0 40 DDAB CC[C@H](C(=O)Nc1cncc(Br)c1O)N(C)C 95977169 TZYFUYRFUSIGNH-SECBINFHSA-N 302.172 1.828 0 40 DDAB CCC[C@@](C)(NC(=O)c1csc(-c2cnn(C)c2)n1)C(=O)O 95969836 SOLFFQOFHFYCHY-CQSZACIVSA-N 322.390 1.917 0 40 DDAB Cc1cc(C(=O)O[C@H](C)C(N)=O)nn1-c1ccc(F)cc1F 95972993 WCUIQPVOVOCDAY-MRVPVSSYSA-N 309.272 1.490 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)N[C@H]2CC(=O)N(C)C2)cc1 79023861 KEOYOMVQHRYZBY-DZGCQCFKSA-N 317.389 1.772 0 40 DDAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)s1 74397997 FRXIYROCMWCXPV-PWSUYJOCSA-N 317.374 1.400 0 40 DDAB CN(CCN1C(=O)CCC1=O)[C@H]1CCCN(c2ccccc2)C1 89346173 IYXQAKLXPDOTGB-INIZCTEOSA-N 315.417 1.736 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)C2=NNC(=O)CC2)cc1 89442030 YITYAUZOQZXRED-AWEZNQCLSA-N 301.346 1.625 0 40 DDAB COC(=O)[C@H](CNC(=O)CCCNC(=O)C1CC1)CC(C)C 75146349 XWIAZXFIGIUCFA-ZDUSSCGKSA-N 312.410 1.244 0 40 DDAB COC(=O)C[C@@H](c1cccnc1)c1c(O)n(C)c(C)cc1=O 1547206382 PYHCDKACXBUJFX-LBPRGKRZSA-N 302.330 1.489 0 40 DDAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccccn2)cc1 20456197 BXKJLVIXXCQDAV-UHFFFAOYSA-N 320.370 1.488 0 40 DDAB Cc1noc(C23CC(CN2C(=O)c2cccc(C(=O)O)c2)C3)n1 1548453816 LKCPJXNZNHOMSL-UHFFFAOYSA-N 313.313 1.838 0 40 DDAB S=C(NC[C@@H]1CCCO1)NNC(=S)NC1CCCCC1 4619965 OMIAZXKYSOMCCV-NSHDSACASA-N 316.496 1.341 0 40 DDAB CCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408600673 BWJMMBPDADPSPZ-UHFFFAOYSA-N 314.407 1.060 0 40 DDAB CC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 36360095 DGUNIGPYKLAHSR-UHFFFAOYSA-N 306.709 1.276 0 40 DDAB CCOc1ccc2c(c1)c1nnc(SCC(N)=O)nc1n2C 35314404 WZFITZGXHOBHLB-UHFFFAOYSA-N 317.374 1.493 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cccnc2)o1 72241081 XSOUAFHHCCXBMH-OAHLLOKOSA-N 313.357 1.790 0 40 DDAB C[C@@H](O)CN1CCN(Cc2nc3c(F)cccc3[nH]2)C[C@H]1C 71864634 DFOFAEMDVWYAEL-VXGBXAGGSA-N 306.385 1.589 0 40 DDAB CN1CCN(C[C@H](CC(=O)Nc2ccccc2F)C(=O)O)CC1 71282531 JUJFGJVLGLXPTB-LBPRGKRZSA-N 323.368 1.103 0 40 DDAB CCOC(=O)CCN[C@@H](COCc1ccccc1)C(=O)OCC 31672633 UDNCYKSFVNMHKX-HNNXBMFYSA-N 323.389 1.678 0 40 DDAB COCC1CCN(c2ccc(C[C@H]3CCCNC3)nn2)CC1 72387410 SKPVDPWNQUZQAV-OAHLLOKOSA-N 304.438 1.882 0 40 DDAB CC(=O)c1ccccc1OCc1ncc(CC(=O)O)c(=O)[nH]1 217386733 KIRQGFMNIKKFOX-UHFFFAOYSA-N 302.286 1.179 0 40 DDAB COC(=O)COC(=O)c1snnc1-c1ccc(OC)cc1 223839704 CJTRNXNMZIAQMB-UHFFFAOYSA-N 308.315 1.544 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2ncccc2Cl)[C@H](C)C1 528504335 MAYMIYABDKHYIK-LLVKDONJSA-N 317.842 1.591 0 40 DDAB CCCOc1cccnc1C(=O)NCc1cnc2nccn2c1 574331317 PXWLXMPCHJSVIS-UHFFFAOYSA-N 311.345 1.843 0 40 DDAB CCN(CC)C(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 42629702 ACXNEAKYBFGWPK-UHFFFAOYSA-N 312.435 1.759 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 195543839 BWEHYKCFRFXMLF-IHRRRGAJSA-N 317.437 1.572 0 40 DDAB COC(=O)[C@H]1[C@@H](NC(=O)/C=C/c2cnn(C)c2C)[C@H]2CC[C@@H]1C2 195546185 OATQTPSNFAPJEI-AFBBRMRGSA-N 317.389 1.446 0 40 DDAB Cc1cc(-n2c(C)cc(C(=O)N(C)S(C)(=O)=O)c2C)no1 83767277 VPNFYAVFGPLQKB-UHFFFAOYSA-N 311.363 1.422 0 40 DDAB Cc1cc(CN2C[C@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)oc1C 96186848 SWECWWOVCYRYJO-ARFHVFGLSA-N 321.421 1.899 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1Cc1cccnc1 96201279 MYWUEZUJHBTCGR-ZDUSSCGKSA-N 309.377 1.495 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)CC1 96248387 CWBNQZPILLYQIB-OAHLLOKOSA-N 301.390 1.264 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccco3)[C@@H]2C1 96209605 QZFKJZPGTMLBBX-XHSDSOJGSA-N 322.405 1.016 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96239277 XWMSWYNOPIZFED-CJNGLKHVSA-N 320.414 1.883 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(CC(=O)O)C[C@@H]12 96251878 KXRUAISDNPUQLC-WBVHZDCISA-N 302.374 1.336 0 40 DDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccco2)o1 96114240 KFCMRSSDYIZYTA-SNVBAGLBSA-N 308.286 1.780 0 40 DDAB biogenic Cc1nnc2n1C[C@@H](NC(=O)C1CCN(CC(C)C)CC1)CC2 97198948 MRRZEOFHJLPYEQ-HNNXBMFYSA-N 319.453 1.386 0 40 DDAB COC[C@@H]1COCCC12CCN(C(=O)c1ccnnc1)CC2 96106270 PRIMSZDEQJYTGK-CQSZACIVSA-N 305.378 1.382 0 40 DDAB c1cn2c(n1)CN(C1CCOCC1)C[C@@H](CN1CCCC1)C2 96188391 HXOWDVYISRMCNU-HNNXBMFYSA-N 304.438 1.590 0 40 DDAB O=C(C1CCOCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042094 ONKLNVVXUCGFFE-HRCADAONSA-N 309.406 1.598 0 40 DDAB CN(C)C(=O)COCC[C@H]1CN(C2CCCC2)Cc2ccnn21 247953108 CIEJCYYVZVJJSU-INIZCTEOSA-N 320.437 1.677 0 40 DDAB C[C@@H]1CN(C)C[C@H](c2nc(Cc3ccc4c(c3)OCO4)no2)O1 527542354 BJLGMYAPGAVSAP-QMTHXVAHSA-N 317.345 1.781 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1cccs1 257301700 RZMQVLDCZZPORW-SNVBAGLBSA-N 313.404 1.542 0 40 DDAB Cn1nccc1CNC(=O)c1ncccc1-c1cccc(CN)c1 257225995 FISBSHUVVQZGDQ-UHFFFAOYSA-N 321.384 1.871 0 40 DDAB CC(=O)NCc1cnc([C@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1 257321773 WDEDWIRHMQQXQL-LBPRGKRZSA-N 317.368 1.569 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1cn(C)nc1C 257333768 YCYNPUUDNVNUTL-HNNXBMFYSA-N 314.389 1.524 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)N2CCc3ccccc3C2)C1 257263708 LRCNMEYWBFRNMD-QGZVFWFLSA-N 302.374 1.209 0 40 DDAB COc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 257245217 IONUBQHVCPCIHP-ZIAGYGMSSA-N 308.353 1.115 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1nccc2ccccc12 257206241 BCNSZMTUUGYMTQ-IIAWOOMASA-N 300.358 1.629 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)s1 85473740 KHGVVQFXBUSSCR-MRVPVSSYSA-N 323.403 1.072 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4CC(O)C4)C[C@H]3C2)cs1 585107590 JTTQVVHXTYCPEW-DNCHLWJUSA-N 321.446 1.113 0 40 DDAB CC(C)[C@H](NC(=O)c1cc[n+]([O-])cc1)c1nc(C2CC2)no1 68049666 XIGGBUTWIRGZOK-LBPRGKRZSA-N 302.334 1.708 0 40 DDAB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)cc1OC 5067092 HYRCYYCLHCGDCJ-MFKMUULPSA-N 303.318 1.115 0 40 DDAB CCOC(=O)c1n[nH]cc1CN(C)Cc1n[nH]c2c1CCCC2 12147159 LGGZPVQOJDDLAD-UHFFFAOYSA-N 317.393 1.820 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCC(C)C)n2)o1 12182782 OBABDQAFXBEOMT-UHFFFAOYSA-N 304.350 1.166 0 40 DDAB CCn1c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)nc2ccccc21 19524295 UQLRBKNISHGGBT-SOUVJXGZSA-N 314.433 1.696 0 40 DDAB COc1ccc(CC(=O)O[C@H](C)CN2CCN(C)CC2)cc1 19897299 HWRVJFIGLNOGNV-CQSZACIVSA-N 306.406 1.417 0 40 DDAB C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)c2cccnc2O1 158426213 XTNPFUSSKITUCQ-OLZOCXBDSA-N 306.362 1.781 0 40 DDAB NS(=O)(=O)c1ccc(I)cc1F 167253858 PDCIWDANDSVURW-UHFFFAOYSA-N 301.080 1.078 0 40 DDAB C[C@H](OC(=O)/C=C/c1c(F)cccc1Cl)C(=O)NC(N)=O 5564259 JXYDAOFQZALZOZ-XPPMVYLVSA-N 314.700 1.619 0 40 DDAB CCN1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 19871463 OHSACAKVBCNZBK-HNNXBMFYSA-N 321.808 1.997 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)nn1C(C)C 572949908 FJHFPZUKCGUEPO-SGMGOOAPSA-N 304.394 1.498 0 40 DDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)on1 6646353 XGONQIXRQWHGSY-UHFFFAOYSA-N 319.336 1.901 0 40 DDAB Cc1nccnc1N1CCN(c2cc(-n3cccn3)ncn2)CC1 1889139118 XJOZROVBYRNOMX-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)C1=COCCO1 24985670 VPBSHGPAMVHNEA-CYBMUJFWSA-N 302.330 1.504 0 40 DDAB CCOc1nccn2c(CNC(=O)Cc3ccsc3)nnc12 244909655 APFPFWGDZNLILJ-UHFFFAOYSA-N 317.374 1.443 0 40 DDAB COc1cc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)ncn1 2087130528 YZNSQDPOEQWSAG-GFCCVEGCSA-N 306.410 1.959 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@H]3C2)C1 1565546647 BLLOGDIAXLNBAA-BOTDWXCTSA-N 320.433 1.565 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1csnn1)C2 1565542508 JZORFNGDZMHQAD-SNVBAGLBSA-N 307.379 1.141 0 40 DDAB COc1ccc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)cc1 1775967556 WNUJXEXNSOKMAT-UHFFFAOYSA-N 313.357 1.333 0 40 DDAB Cc1cccc(CC(=O)N2CC(CN3C(=O)CCC3=O)C2)c1 606440581 CYIGLKBJYQCTEY-UHFFFAOYSA-N 300.358 1.145 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)/C=C/c1ccco1)C2 618257564 XWGKKNCMTHEOLQ-STMXVASLSA-N 312.373 1.823 0 40 DDAB CCOC(=O)CCC(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390827148 FDQUZANUBKLCML-ZDUSSCGKSA-N 309.366 1.734 0 40 DDAB Cn1cnnc1CNC(=O)c1ccn(-c2ccccc2Cl)n1 50561867 IDJZIFSGPLLDCV-UHFFFAOYSA-N 316.752 1.584 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)COc1ccccc1 40496400 LUFMSWLXWDSTDJ-NSHDSACASA-N 302.286 1.536 0 40 DDAB Cn1cc(C(=O)NCCN2C(=O)CSC2=O)c2ccccc21 40554765 BKQVHISSKNXAHU-UHFFFAOYSA-N 317.370 1.604 0 40 DDAB O=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)NC1CC1 8279391 PXMLCSYGFZBLPL-UHFFFAOYSA-N 317.374 1.428 0 40 DDAB CCOCC(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C 11342854 CRKGONSPHBSNRE-UHFFFAOYSA-N 308.334 1.531 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)Cc1ccccc1 569500 HHQMRXAIXUTZPT-UHFFFAOYSA-N 304.379 1.139 0 40 DDAB Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 20719060 IVVHOIJBKTUIGO-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB O=CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20745260 XTDSRDUNMLTKBC-AWEZNQCLSA-N 305.309 1.207 0 40 DDAB COc1ccccc1CNC(=O)c1nc2nc(C)cc(C)n2n1 3428586 VHZWXGTZUKQJQG-UHFFFAOYSA-N 311.345 1.680 0 40 DDAB O=C(Cn1cccnc1=O)N[C@@H]1CCSc2ccccc21 32339599 QTAIRDJEFMKJCT-GFCCVEGCSA-N 301.371 1.597 0 40 DDAB CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 6205029 MZEKSZQDZITOTP-UHFFFAOYSA-N 312.435 1.778 0 40 DDAB COc1cc(C(=O)N2CCCS2(=O)=O)ccc1OC(C)C 69627398 XDIMJQVXTFVYEP-UHFFFAOYSA-N 313.375 1.658 0 40 DDAB CCc1cc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cs1 102599015 JIBXFNHOEJZNFZ-DDHJBXDOSA-N 320.370 1.118 0 40 DDAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC2CC2)o1 32967771 DDWSNLBMGTUNSJ-UHFFFAOYSA-N 300.380 1.639 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 102690043 YLVNQBPUQHVOGL-RDBQEKCUSA-N 317.728 1.624 0 40 DDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NC[C@H]1CCOC1 41369359 NWHVUSYLQLDBMV-SNVBAGLBSA-N 324.764 1.218 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)CCc1nc(C(C)(C)C)no1 46890050 FMFDPZPVKINVJL-GFCCVEGCSA-N 324.425 1.137 0 40 DDAB Cn1c(S)nc2cc(C(=O)NCc3ccoc3)ccc2c1=O 103528035 SQFOPQBQQAFXTB-UHFFFAOYSA-N 315.354 1.745 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H]1CCCO1 53508815 RFYADUKXNPIXQE-NSHDSACASA-N 316.361 1.244 0 40 DDAB O=C(NC[C@H]1CCOC1)N1CCN(Cc2cccs2)CC1 47068426 JZCRBTDJFDNTGL-CYBMUJFWSA-N 309.435 1.612 0 40 DDAB O=C(NCc1ccc(Cn2cccn2)cc1)NC[C@H]1CCCO1 54027800 QZNMYPWAGLDCHE-MRXNPFEDSA-N 314.389 1.910 0 40 DDAB CC1CCC(NC(=O)CN(C)c2ncnc3[nH]cnc23)CC1 47403479 QNZXSAOIGRORKQ-UHFFFAOYSA-N 302.382 1.484 0 40 DDAB COCC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 105455024 FKLAHSROEJGCEE-OBJOEFQTSA-N 310.325 1.004 0 40 DDAB O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1ccccc1 12556513 JIEUFVOPTXZVLP-UHFFFAOYSA-N 322.372 1.752 0 40 DDAB C[C@H]1CCCCN1C(=O)CCn1nc(O)c2ccccc2c1=O 25441208 HLVSSUHHIWQZJL-LBPRGKRZSA-N 315.373 1.893 0 40 DDAB CC(C)(C)c1nnc(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)s1 107519128 QRZGCPXXWNIKCK-KXUCPTDWSA-N 310.423 1.955 0 40 DDAB C[C@@H]1Oc2c(cccc2C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)NC1=O 107503989 YHVKIBNICNCMPC-UHIISALHSA-N 317.389 1.428 0 40 DDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 27271295 LEVDBBRCDSNVTM-UHFFFAOYSA-N 312.435 1.977 0 40 DDAB O=C(NCc1cc[nH]n1)NCC1(N2CCOCC2)CCCCC1 44966390 PWHZYSKQGLYRMJ-UHFFFAOYSA-N 321.425 1.244 0 40 DDAB CCOCCCNC(=O)c1ccccc1NS(=O)(=O)CC 58415110 ILEKMKKWUOBWHV-UHFFFAOYSA-N 314.407 1.605 0 40 DDAB O=S(=O)(NCC[C@@H]1CCCO1)c1cccc2nsnc12 58406239 XVLAEJJUBIIHPJ-VIFPVBQESA-N 313.404 1.539 0 40 DDAB Nn1c(SCc2cn3ccccc3n2)nnc1-c1ccncc1 12624058 WWSXRSRDRILBGU-UHFFFAOYSA-N 323.385 1.994 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(Br)c[nH]1 37845869 IMCCNFPKIIMDSE-HTQZYQBOSA-N 314.183 1.503 0 40 DDAB C[C@@]1(NC(=O)c2cnn(-c3ccccc3)c2)CCS(=O)(=O)C1 12751795 KGWYGAXUEWMFJI-OAHLLOKOSA-N 319.386 1.179 0 40 DDAB CCc1nnc2n1CCN(Cc1cc(=O)n3cccc(C)c3n1)C2 69490345 NNVHBOLCEIRJBG-UHFFFAOYSA-N 324.388 1.173 0 40 DDAB CN(CCc1cccs1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 110638189 QGOGMJAKTDUANN-UONOGXRCSA-N 323.462 1.795 0 40 DDAB CC[C@@H](C)NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 69967543 VGNFYJISSSMYBZ-SECBINFHSA-N 304.354 1.899 0 40 DDAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc(O)nc(O)n1 408718064 GOQNNMGBFLXDEQ-UHFFFAOYSA-N 315.314 1.659 0 40 DDAB CNC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCC3 5212742 QYVOHXUQJNYJFN-UHFFFAOYSA-N 322.415 1.728 0 40 DDAB Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)no1 14094250 OMVUZIFEFXZPPU-UHFFFAOYSA-N 301.346 1.711 0 40 DDAB O=c1n(CCN2CCOc3ccccc3C2)nc2ccccn12 65595151 YTHBTLLLISZAPS-UHFFFAOYSA-N 310.357 1.391 0 40 DDAB C[S@@](=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1 5377728 TYZZWDXLYBINEX-QFIPXVFZSA-N 317.414 1.859 0 40 DDAB Cc1cccn2cc(CC(=O)N3CCCN4CCC[C@@H]4C3)nc12 65606454 GUOXGJIJANXBGI-MRXNPFEDSA-N 312.417 1.882 0 40 DDAB O=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 14245837 AARYCSIPITZFOQ-PORFMDCZSA-N 322.411 1.613 0 40 DDAB C[C@H](Oc1ccc(Br)cc1)C(=O)O[C@H](C)C(N)=O 5626873 HEZPPVHOAOYQJE-SFYZADRCSA-N 316.151 1.633 0 40 DDAB CC(C)C(=O)NCCNC(=O)N1CC[C@H](Nc2ccccc2)C1 67608471 MSLTYDONDGJUDY-HNNXBMFYSA-N 318.421 1.655 0 40 DDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccc(C)c1 8193415 AGTPQXQNDCFYAT-UHFFFAOYSA-N 312.435 1.920 0 40 DDAB CC[C@@H](Oc1ccccc1)C(=O)NN1C(=O)N[C@@](C)(CC)C1=O 8263900 HJRMJTMJECVRPR-WBMJQRKESA-N 319.361 1.596 0 40 DDAB O=C(Cc1noc([C@H]2CCCc3[nH]ncc32)n1)NC1CCCC1 89764915 JTEKGGUDXLHQPH-NSHDSACASA-N 315.377 1.862 0 40 DDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cccnc1 71913575 SELRYVYWYUYBEQ-OAHLLOKOSA-N 306.410 1.334 0 40 DDAB COC(=O)c1c(C)cccc1NCC(=O)NC(=O)NC(C)C 9835983 MDIXDYYKKKKRJG-UHFFFAOYSA-N 307.350 1.428 0 40 DDAB Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 72292363 YJVCKSCOCLHDHH-BXUZGUMPSA-N 317.393 1.925 0 40 DDAB CC(C)(C)c1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 72290631 QMPASALJOGSLNF-QGZVFWFLSA-N 315.373 1.408 0 40 DDAB COc1ccccc1Nc1ncccc1C(=O)NCCC(N)=O 72297765 OPRBVIZQTBYFMC-UHFFFAOYSA-N 314.345 1.439 0 40 DDAB O=C(C[C@@H]1CCCCO1)NCCn1c(C2CC2)n[nH]c1=S 87377954 XNFYQUVOHPTSMV-NSHDSACASA-N 310.423 1.893 0 40 DDAB CC1(C2CCN(C(=O)NCCn3cccc3)CC2)OCCO1 97021770 CMJDMDRVAPPNBF-UHFFFAOYSA-N 307.394 1.673 0 40 DDAB COc1cc(Br)ccc1CCCNC(=O)CO 97107958 OCFQFGLGZRRLJL-UHFFFAOYSA-N 302.168 1.499 0 40 DDAB O[C@H](CNCc1c[nH]nc1-c1cccnc1)CN1CCCCC1 97160065 MWZSQZAKNHIIMU-MRXNPFEDSA-N 315.421 1.408 0 40 DDAB CCOCCC(=O)N1CCCN(C(=O)c2ccncc2)CC1 76845957 AKYCXJQZZNIODL-UHFFFAOYSA-N 305.378 1.183 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)CN(C)C(=O)OC(C)(C)C 95458437 LEYYAXPTGZSSCK-LBPRGKRZSA-N 316.398 1.117 0 40 DDAB CN(C)c1nc[nH]c(=O)c1NC(=O)c1cc2c(s1)CCC2 95427989 VBGSTCKNCNWPEL-UHFFFAOYSA-N 304.375 1.638 0 40 DDAB CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)CC[C@@H]2CCCO2)C1(C)C 95463070 OOGFRKHNTWHHEH-YVECIDJPSA-N 305.440 1.534 0 40 DDAB C[C@H](O)CN(C(=O)N[C@H](C)c1nncn1C)C1CCCCC1 95942727 QQXXCGXFBNNPKC-NWDGAFQWSA-N 309.414 1.601 0 40 DDAB Cn1cc2c(NCCc3nnc4n3CCCCC4)ncnc2n1 95973300 OMJFGTZBQSKSSR-UHFFFAOYSA-N 312.381 1.336 0 40 DDAB C[C@H]1CN(c2ccccc2CN[C@@H]2CC(=O)N(C)C2)C[C@@H](C)O1 88698046 BVYWWZGMHCGPBE-IJEWVQPXSA-N 317.433 1.621 0 40 DDAB CCc1ccc([C@@H](COC)NC(=O)N2CCC[C@@H](CO)C2)o1 74570794 BMIIFZVUBNSSIZ-TZMCWYRMSA-N 310.394 1.943 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1cccs1 9950622 KFMYCSFUBIUHDA-UHFFFAOYSA-N 313.382 1.886 0 40 DDAB C[C@H](NC(=O)CN1C(=O)COc2ccccc21)[C@@H]1CCCO1 27862348 HIDIFSKFDVPNSY-AAEUAGOBSA-N 304.346 1.096 0 40 DDAB O=C(NCCc1nc(-c2ccccc2)n[nH]1)N1CCOCC1 189172532 PLHLWJARWYFYSX-UHFFFAOYSA-N 301.350 1.056 0 40 DDAB COC(=O)c1ccc(CN2CCN(c3cnccn3)CC2)cc1 128729848 KTKRMDJHLYOMPZ-UHFFFAOYSA-N 312.373 1.585 0 40 DDAB Cc1nc(N(C)Cc2nnc3ccccn23)c2cnn(C)c2n1 71854199 KERQTSZRAHROOR-UHFFFAOYSA-N 308.349 1.351 0 40 DDAB COc1ccccc1OCc1nnc(SCC(=O)O)n1C 32211842 UHRUOTIXPVLYAX-UHFFFAOYSA-N 309.347 1.579 0 40 DDAB CN(C)C(=O)c1cn[nH]c1[C@@]1(C)CCCN(Cc2c[nH]cn2)C1 72388715 LFZPSIRDIKFUNJ-INIZCTEOSA-N 316.409 1.388 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3NCCS[C@@H]3C2)cc1 39175804 RDBZGGDYXYAFFO-UONOGXRCSA-N 312.460 1.463 0 40 DDAB Cc1nc(CCC(N)=O)cc([C@H]2CCCN2c2cnccn2)n1 72367027 QZERATJBJDMZAV-CQSZACIVSA-N 312.377 1.334 0 40 DDAB CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 79391380 ARTBZQRCZJEYHG-STQMWFEESA-N 313.442 1.876 0 40 DDAB Cc1nc(CN(C)C(=O)c2ccc3c(c2)CCC(=O)N3C)no1 183341150 BSKSQYSJMDQHCN-UHFFFAOYSA-N 314.345 1.559 0 40 DDAB O=C(NCc1nccc(N2CCOCC2)n1)C1CCCCC1 224167692 PQSZPYSCWVYMRL-UHFFFAOYSA-N 304.394 1.510 0 40 DDAB COc1ccc2cc(S(=O)(=O)NCCN(C)C)ccc2c1 225502843 KFXRRTLTMRCDPK-UHFFFAOYSA-N 308.403 1.688 0 40 DDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cccc(F)c2)n1 224191260 AMXGHSXTNURNBQ-UHFFFAOYSA-N 324.381 1.469 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccccc3O)ccc21 226860037 SCZRZYMKHAKFLC-UHFFFAOYSA-N 318.310 1.077 0 40 DDAB CC(C)(C)[C@@H](Cn1cccn1)Nc1ncnc2c1NC(=O)CN2 41121437 FPZYRRPGMAMPND-SNVBAGLBSA-N 315.381 1.564 0 40 DDAB O=C([C@@H]1CCCCO1)N1CCC(O)(Cc2ccncc2)CC1 573952982 ZXZIRNBMLDNHNG-HNNXBMFYSA-N 304.390 1.547 0 40 DDAB CNC(=O)c1cccc(CN2C[C@H](CN)C3(CCOCC3)C2)c1 573921176 LYIMOJMYGGASLR-INIZCTEOSA-N 317.433 1.234 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96208998 SXMPSVFTXOLUQX-HNNXBMFYSA-N 320.389 1.395 0 40 DDAB CCc1nc(C)ncc1C(=O)NC[C@H](O)CN1CCC(C)CC1 96436443 INDDSAAMSQIEBT-AWEZNQCLSA-N 320.437 1.170 0 40 DDAB O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1cncnc1 96239208 TVMAALJVRZKYLD-QGZVFWFLSA-N 309.373 1.501 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)O2)CC1 96061216 RRKDLYHKZWTVQD-CYBMUJFWSA-N 309.410 1.208 0 40 DDAB Cc1cc(N2CCN(CCOC[C@H]3CCCO3)CC2)nc(C)n1 96421083 HGWXAJRJQLCLFD-MRXNPFEDSA-N 320.437 1.411 0 40 DDAB O=S1(=O)CCCN1Cc1nnc(-c2cccc(Cl)c2)o1 96404594 BNAPGRPDDBBMSJ-UHFFFAOYSA-N 313.766 1.926 0 40 DDAB CCN(CC)C[C@@H]1CN(c2ncccn2)Cc2nccn2C1 96188283 SXMPTHTXGPKTLT-AWEZNQCLSA-N 300.410 1.651 0 40 DDAB NC(=O)c1cccc(CCNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)c1 96439721 JAXHVZIZNITYDD-HOTGVXAUSA-N 313.401 1.936 0 40 DDAB COc1ncccc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1 96110020 ZRVIIRBHKQPJIA-RHSMWYFYSA-N 319.405 1.063 0 40 DDAB c1ccc(CN2CC3(C[C@H](Oc4ncccn4)CCO3)C2)nc1 248115849 SGHGLRSEEIVJTJ-OAHLLOKOSA-N 312.373 1.684 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(N)CO)cc1 242543337 JXBFZNILVDCIJW-GVDBMIGSSA-N 317.410 1.625 0 40 DDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)no1 247944751 WAGPVKQQMZSQRQ-AWEZNQCLSA-N 319.405 1.586 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CN(C2CCC2)Cc2cncn21 247501833 QGECYAQYKMDSPT-HNNXBMFYSA-N 300.362 1.702 0 40 DDAB Cc1nc(CN2Cc3ccnn3[C@H](C(=O)NC(C)C)C2)cs1 247983423 YFKOMEVLQCTBFA-AWEZNQCLSA-N 319.434 1.730 0 40 DDAB Cc1cnn(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)c1 257342908 ZQOPLBUXXNECLW-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257264590 LVDMNMKMLWQKNY-CYBMUJFWSA-N 303.366 1.201 0 40 DDAB O=C(NCc1nnc2c(O)nccn12)c1c[nH]c2ccccc12 253396646 DYMKYBFUAJVLCZ-UHFFFAOYSA-N 308.301 1.241 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252515972 OZRFEMVEMOUZPJ-MCIONIFRSA-N 317.838 1.975 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](c3nc(C)cn3C)C2)nc(O)n1 257339748 ZDAMVVBKXSKROG-LBPRGKRZSA-N 315.377 1.552 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](c2ccncc2)C1 257239084 HNWXRYWPPKBXKO-HNNXBMFYSA-N 301.346 1.829 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 264225861 WTFHKBXTIUWJPM-QMMMGPOBSA-N 320.798 1.152 0 40 DDAB CN(C)CCN(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 575420017 DFFDXVYBLRYZEN-HNNXBMFYSA-N 314.426 1.376 0 40 DDAB O=c1c(=Cc2cccc(Br)c2)sc2n1CCN=2 585680356 ZITCLZQTDJPACO-UHFFFAOYSA-N 309.188 1.134 0 40 DDAB CCNC(=O)c1ccc2cccnc2c1OCC(=O)NC(C)C 585139912 XADPCZHOJJMKJF-UHFFFAOYSA-N 315.373 1.888 0 40 DDAB O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)C1CC1 585111964 FZYJPSCJHSARQC-AWEZNQCLSA-N 314.389 1.949 0 40 DDAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ncccc1F 585291695 BEXNAZTVYSFNIY-KBRIMQKVSA-N 320.339 1.681 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585111885 IFQPUTMVOKPICD-HNNXBMFYSA-N 302.353 1.715 0 40 DDAB O=C(c1cncc(F)c1)N1CCN(c2cccnc2)C(=O)C1 585150116 DTJBXHYYIKRYCU-UHFFFAOYSA-N 300.293 1.105 0 40 DDAB Cc1cccc(C)c1-n1nnnc1COC(=O)C1(O)CCCC1 51177146 JWIUXFDTJXBARH-UHFFFAOYSA-N 316.361 1.627 0 40 DDAB CC(C)(C)OC(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O 953095655 XIAXWIVMOSPZCZ-JTQLQIEISA-N 314.382 1.454 0 40 DDAB Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3CCc4nccn4C3)c2n1 75572968 PRSYJRSMYBDTDW-ZDUSSCGKSA-N 324.388 1.596 0 40 DDAB C[C@@H]1CN(C(=O)CN2C[C@H](O)C[C@@H]2C2CCCCC2)C[C@@H](C)O1 78726450 RCHJQXHOFKRECN-MUIFIZLQSA-N 324.465 1.638 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)[C@H]2CCCO2)CC1 1068642538 FNHHIVQOGGWFGP-CYBMUJFWSA-N 324.812 1.736 0 40 DDAB CN(CCCS(C)(=O)=O)Cc1nc2c(s1)CCCC2 96447118 LMEQOGFZAPRUHZ-UHFFFAOYSA-N 302.465 1.888 0 40 DDAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 5252755 IYKLQLCRXDBSQL-UHFFFAOYSA-N 318.354 1.991 0 40 DDAB COc1ccc(CC(=O)N2CCn3c(nnc3C3CC3)C2)cc1 12158722 LRWQRDOXZDKEJM-UHFFFAOYSA-N 312.373 1.749 0 40 DDAB Cc1cc2nnc(SCC(=O)NC3CCCCC3)n2c(N)n1 15936077 ABSFMNSRECBHSA-UHFFFAOYSA-N 320.422 1.556 0 40 DDAB COc1ccc(CC(=O)O[C@@H](C)CN2CCN(C)CC2)cc1 19897298 HWRVJFIGLNOGNV-AWEZNQCLSA-N 306.406 1.417 0 40 DDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCC3)C2=O)cc1 19972534 XJDSAXMMSNCKBZ-CQSZACIVSA-N 301.346 1.373 0 40 DDAB CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 8057739 UHSWELAOAXEHTI-UHFFFAOYSA-N 302.371 1.361 0 40 DDAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cncnc3)c2)CCCN1 953025680 AWOHBWOXINYEAM-SFHVURJKSA-N 310.401 1.897 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@H](NC4CCCC4)CS3)C2)c1 2056223293 DOARMDFMNLMEFK-ZDUSSCGKSA-N 320.462 1.652 0 40 DDAB COC(=O)CCCS(=O)(=O)N1CCO[C@H](C(C)(C)C)C1 390835043 BPASQPAOFUMMMX-NSHDSACASA-N 307.412 1.016 0 40 DDAB COCc1cncc2c1CCN(C(=O)c1cc(OC)no1)C2 1565546898 GNKMOSSOZZJJHB-UHFFFAOYSA-N 303.318 1.423 0 40 DDAB COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 6732971 UHVZPQKAHSPLRU-UHFFFAOYSA-N 324.336 1.719 0 40 DDAB Cc1csc(C(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)c1 2055771789 YXOBYXYQTGDDRF-MNOVXSKESA-N 314.432 1.162 0 40 DDAB CC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 100150613 AAWWSYXOHZXCPU-YDHLFZDLSA-N 302.355 1.987 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](Oc2ccncn2)C1 575610821 YSMCRQUEIVNLAD-GFCCVEGCSA-N 320.374 1.104 0 40 DDAB CCc1ncnc(N2CCN(c3ccc(C#N)nc3)CC2)c1F 285518456 GLGAPWZNKIKUDJ-UHFFFAOYSA-N 312.352 1.771 0 40 DDAB COC(=O)CNC(=O)NC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100846277 DOTDFHAVNYPCSI-MBFGLIKCSA-N 300.786 1.789 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3ccncc3)CC2)cs1 31258899 VOVFTHYQTXOCAG-UHFFFAOYSA-N 302.403 1.805 0 40 DDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1cccc(F)c1 40528231 PWQJQKGMOHYXTH-CQSZACIVSA-N 307.369 1.042 0 40 DDAB CCOC(=O)c1sc2ncn(CC(=O)OC)c(=O)c2c1C 144741 QTKGWQGZFRVBFU-UHFFFAOYSA-N 310.331 1.116 0 40 DDAB Cc1cc(C(=O)NCc2c(C)nn(C)c2C)c2cnn(C)c2n1 36616873 RLCQTZSLEYSACK-UHFFFAOYSA-N 312.377 1.557 0 40 DDAB Cc1nc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc2s1 7958524 JTHABVIMZZYUIF-SECBINFHSA-N 310.400 1.978 0 40 DDAB O=C(CCCN1C(=O)CNC1=O)N1CCC(C(F)(F)F)CC1 81312689 HFYQEUHYLMYLJA-UHFFFAOYSA-N 321.299 1.119 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1O[C@H]3c4ccccc4[C@@H]1[C@H]32 3852277 QHVLCBUNKCSGKW-LVQVYYBASA-N 319.320 1.723 0 40 DDAB C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O 4970616 NSTZOARSHFSRPM-LLVKDONJSA-N 300.314 1.710 0 40 DDAB COc1ccccc1COC[C@@H](O)CN1CCCC[C@H]1CO 102398324 PFDOMIHOTPTBDC-HOTGVXAUSA-N 309.406 1.420 0 40 DDAB COc1cccc(CSCc2nc(N)nc(N(C)C)n2)c1 32854129 PGLZVCSGZIXUPB-UHFFFAOYSA-N 305.407 1.962 0 40 DDAB CN(CCNC(=O)CCNC(=O)c1ccco1)c1ccccc1 32837403 YAWHAKUZFFLXSQ-UHFFFAOYSA-N 315.373 1.652 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)/C=C/c1cncc(F)c1 104103664 XGQADUWUASZXMR-WIUHADBRSA-N 318.348 1.938 0 40 DDAB O=C(CSc1nnnn1-c1cccc(F)c1)NC1CCCC1 412662 BCODENVGJPIXCA-UHFFFAOYSA-N 321.381 1.952 0 40 DDAB CCN(C(=O)CN(C)CC(=O)Nc1ccc(C)cn1)C1CC1 69014678 AJJZWHIJPLQCLJ-UHFFFAOYSA-N 304.394 1.271 0 40 DDAB COc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cn1 32901266 RBDPIONBJBSCLM-UHFFFAOYSA-N 310.350 1.849 0 40 DDAB CCOC(=O)CC1=Nn2c(nc3ccccc3c2=O)SC1 9482391 SKEDRUOHEJBUQA-UHFFFAOYSA-N 303.343 1.660 0 40 DDAB O=C(N[C@@H]1C(=O)NN[C@H]1c1ccc(Cl)cc1)c1ccccc1 576576 GVFZZTNAEBXZKO-KBPBESRZSA-N 315.760 1.814 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(-c2cccnc2)on1 54002757 ZHFZWLYVSCKPBE-LLVKDONJSA-N 300.318 1.135 0 40 DDAB CC(C)(C)OC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 23077272 NQNVVRJHKZMSGK-UHFFFAOYSA-N 304.302 1.422 0 40 DDAB CN1C(=O)C(=O)N(CN2CCCc3cc(F)c(F)cc32)C1=O 54546347 PQACMIILCJWCPQ-UHFFFAOYSA-N 309.272 1.096 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCS(C)(=O)=O 47697249 LBTFLROOBGBGOA-UHFFFAOYSA-N 322.386 1.210 0 40 DDAB COc1ccnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1 24856965 DIPYVQPICXHYEO-UHFFFAOYSA-N 318.299 1.380 0 40 DDAB Cn1cc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cn1 107731360 GMTRBYDZPCYKBM-HZPDHXFCSA-N 301.394 1.613 0 40 DDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2cnccn2)CC1 25344504 LIGSBNNPMIROOZ-UHFFFAOYSA-N 324.344 1.422 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1O 26022363 FLJMBKXWPHNZER-RYUDHWBXSA-N 307.346 1.493 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2ccsc2C(=O)O)no1 35246927 LHHCTCACKFXJKU-UHFFFAOYSA-N 316.360 1.563 0 40 DDAB O=C1CN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CCN1 35380095 OFNLPBYIVUDZHN-SFHVURJKSA-N 323.396 1.476 0 40 DDAB COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@H]1c1ccccc1 35327130 QQEODDDXXYDBAN-JLJPHGGASA-N 306.358 1.690 0 40 DDAB CC(C)OCCCNC(=O)CCn1cnc2ccccc2c1=O 27073966 CLQLGKCDMYPYIW-UHFFFAOYSA-N 317.389 1.718 0 40 DDAB Cc1cc(C)n2nc(C(=O)N=c3[nH]c4ccccc4[nH]3)nc2n1 12541955 MPFHJHSQUIHZDQ-UHFFFAOYSA-N 307.317 1.292 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(O)nn1 27602778 JCYHOYPZJNFMGP-GFCCVEGCSA-N 318.402 1.811 0 40 DDAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCC1 58245468 ZAFINRBSKITWDP-LLVKDONJSA-N 318.373 1.635 0 40 DDAB COc1ccc([C@H](O)CNCc2c(C)nn(C)c2OC)cc1 58296366 BTAVRAROGYRORH-OAHLLOKOSA-N 305.378 1.569 0 40 DDAB O=C(NS(=O)(=O)CC(F)(F)F)[C@H]1CC1(Cl)Cl 408490276 ZZOLYRZHPMUEPD-GSVOUGTGSA-N 300.085 1.189 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccnc(Cl)c2)C1 28017809 TXKUQRYWTDIGKR-CYBMUJFWSA-N 311.813 1.822 0 40 DDAB Cc1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C 28025451 CNTXWWSSVQUCBC-UHFFFAOYSA-N 315.417 1.340 0 40 DDAB COc1ccccc1[C@H](C)N(C)C(=O)CCN1C(=O)CCC1=O 45249965 XBPKJKMXFHIDCP-LBPRGKRZSA-N 318.373 1.754 0 40 DDAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 10889382 JAFAVCTXWWLPHI-JOYOIKCWSA-N 311.359 1.228 0 40 DDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nccs1 8267878 OQXUKEXWEKDEFD-UHFFFAOYSA-N 302.363 1.769 0 40 DDAB CC(C)OCc1cccc(CNC(=O)[C@@H](C)N2CCOCC2)c1 48367349 UUQPTUPFUKTIHB-OAHLLOKOSA-N 320.433 1.949 0 40 DDAB CN1C(=O)N(CC(=O)NCc2cccc(Cl)c2)C(=O)C1(C)C 12897813 NCIQRWAIZAVCIR-UHFFFAOYSA-N 323.780 1.629 0 40 DDAB Cc1ccccc1C(C)(C)CNC(=O)CCN1C(=O)CCC1=O 69350645 HBHMSTKNDGHBGU-UHFFFAOYSA-N 316.401 1.928 0 40 DDAB C[C@@H](Sc1ncnc2ccsc12)C(=O)N1CCNC1=O 8329098 GHGPWJODNWPYSG-SSDOTTSWSA-N 308.388 1.724 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)c(Cl)c1 13718818 KGHZNTGZXYGARS-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB O=C(C[C@H]1N=C(N2CCCCC2)NC1=O)Nc1ccccc1 13729993 LEUFZSJWEHQXAA-CYBMUJFWSA-N 300.362 1.356 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc1Cl 13725578 OJPZPDNDPMAMQY-JTQLQIEISA-N 305.725 1.762 0 40 DDAB CCOCCN1CCN(CCC(=O)NC2CCCCC2)CC1 69897947 BIMMQNKXKHNBGN-UHFFFAOYSA-N 311.470 1.480 0 40 DDAB CN1CCCN(C(=O)NCc2cccnc2-n2cccn2)CC1 65440630 BRALAKPOULLCNC-UHFFFAOYSA-N 314.393 1.114 0 40 DDAB Cc1cccc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 59810825 XRXALIGITWIHFG-MRXNPFEDSA-N 313.401 1.730 0 40 DDAB CCC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 6560499 QFXBIVSBEHZVIE-JTQLQIEISA-N 321.406 1.765 0 40 DDAB O=C1CCCN1C(=O)CSc1nnnn1-c1cccc(F)c1 5796019 RWVQGLOHNKSQAL-UHFFFAOYSA-N 321.337 1.043 0 40 DDAB CCN(CC)C(=O)CSc1nncn1CCc1ccccn1 68275059 DXYGEYVAGBSYBT-UHFFFAOYSA-N 319.434 1.876 0 40 DDAB CCCNc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1 7873404 QJBGESTWRZQHIX-ZETCQYMHSA-N 315.424 1.392 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)nc1 71803717 RKJMQPODJUNYTB-JTQLQIEISA-N 317.798 1.488 0 40 DDAB O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(C2CC2)n[nH]1 71847725 HFJSVUWSWXIENY-CQSZACIVSA-N 324.384 1.818 0 40 DDAB Cc1ccc(S(=O)(=O)CCCS(=O)(=O)N(C)C)c(C)c1 71857362 OZRRTKOFIYPRGF-UHFFFAOYSA-N 319.448 1.359 0 40 DDAB C/C(=C\C(=O)NN1CC(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 83812949 WBCGMNYMNDOAMZ-WTDSWWLTSA-N 317.389 1.732 0 40 DDAB CCNC(=O)COC(=O)[C@@H](c1ccccc1)N1CCSCC1 71921325 OLHBDHOPMPZMTO-OAHLLOKOSA-N 322.430 1.456 0 40 DDAB NC(=O)[C@H](NCc1cccc(-n2cncn2)c1)c1ccccc1 71910805 KUNUCVMXLAGZHD-MRXNPFEDSA-N 307.357 1.584 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)N1CCOCC1 72234160 FVGSTDIJHHHQHP-HUUCEWRRSA-N 320.437 1.421 0 40 DDAB Cc1cc(N2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)nc(C)n1 97034105 LCNKWSNNNBUYSI-MJGOQNOKSA-N 324.428 1.874 0 40 DDAB COc1cccc(F)c1[C@H](C)NCC(=O)Nc1nncs1 97033554 FLELIGMHUSWFLY-QMMMGPOBSA-N 310.354 1.975 0 40 DDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1C(=O)O 87767969 DZGICVFIHJJRTA-JQWIXIFHSA-N 312.391 1.677 0 40 DDAB C[C@@]1(NC(=O)c2ccnc3ccccc23)CCS(=O)(=O)C1 72752847 YOMLHVFYPUYHRE-OAHLLOKOSA-N 304.371 1.542 0 40 DDAB CCc1nc(C)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 76052995 DDEWXIVMDLGYQL-YPMHNXCESA-N 323.462 1.807 0 40 DDAB CCN(C(=O)CSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 95350027 AWBSHMSCWQOIAS-SSDOTTSWSA-N 305.343 1.275 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@@H]1N1CCOCC1 84735595 WJPHOTZCYHLDCQ-MJBXVCDLSA-N 300.468 1.555 0 40 DDAB CC[C@H]1CN(C(=O)c2ncoc2C(C)C)C[C@H]1N1CCOCC1 84735989 QZTYGHUQNAMCFM-UONOGXRCSA-N 321.421 1.981 0 40 DDAB COc1cccc2c1OC[C@H](Nc1cnn(C)c(=O)c1Cl)C2 77358094 YVLRFNZDKIKZLE-SNVBAGLBSA-N 321.764 1.858 0 40 DDAB C[C@@H](CN(Cc1ccccc1)C(=O)c1nccnc1N)C(=O)O 95463857 YUECKEHWHMWHBR-NSHDSACASA-N 314.345 1.422 0 40 DDAB O=C(Cc1cccnc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450429 HSFJKSZNDXKQFD-HOCLYGCPSA-N 313.401 1.626 0 40 DDAB COc1cccc(CN2CCO[C@@H](CNc3cccnn3)C2)c1 78899909 JCQUFQKLKRQRDH-INIZCTEOSA-N 314.389 1.798 0 40 DDAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(C)=O)c1 9908038 JDCLQDNJJMIFJI-UHFFFAOYSA-N 319.405 1.964 0 40 DDAB CNC(=O)c1cccc(NCC(=O)Nc2cc(C)nn2C)c1C 79062139 VDYJIOUMPQYJJH-UHFFFAOYSA-N 315.377 1.447 0 40 DDAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc2cc[nH]c12 79896064 KJMUFCTWDCXOBW-GFCCVEGCSA-N 303.387 1.771 0 40 DDAB C[C@@H](Cn1cccn1)Nc1cccc(CN2C(=O)CNC2=O)c1 121492376 WXXSBBQWOVIJMB-LBPRGKRZSA-N 313.361 1.436 0 40 DDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4473721 AIHBVMORMOHTSM-WVKUQDAKSA-N 312.325 1.147 0 40 DDAB CCCCO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]2N[C@@H]12 37245959 CPYRVZBXTVESHT-NEMWNAMBSA-N 305.374 1.983 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)NCc1cc(C(=O)O)co1 526951161 SFMQTOBZNWNIID-UHFFFAOYSA-N 313.306 1.904 0 40 DDAB O=C1COc2cc(C(=O)NC[C@@H]3Cc4ccccc4O3)ccc2N1 33112805 OLUDDEGGNVYHJU-ZDUSSCGKSA-N 324.336 1.751 0 40 DDAB C[C@@]1(C(N)=O)CN(Cc2ccccc2N2CCCC2)CCO1 72379850 SQFOGJOVWDXKLL-KRWDZBQOSA-N 303.406 1.363 0 40 DDAB Cc1ccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)o1 31214484 NTNNDDDFVNGTLJ-UHFFFAOYSA-N 321.402 1.774 0 40 DDAB CC(C)=CCN1CCN(Cc2cn(C)nc2C)C[C@H]1CCO 39437702 YUXXDZBTVIRPOR-QGZVFWFLSA-N 306.454 1.563 0 40 DDAB CCN1CCO[C@@H](C(=O)N2CCCc3cc(OC)ccc3C2)C1 73376300 SLTKVHCTPYXYMY-QGZVFWFLSA-N 318.417 1.691 0 40 DDAB Cc1cccc(C[C@@H]2COCCN(Cc3nccn3C)C2)n1 72388170 XLMODZYUTWQDSQ-HNNXBMFYSA-N 300.406 1.815 0 40 DDAB O=C(c1cccc(Cl)c1)N1CCN(CCn2ccnc2)CC1 77119459 ZVPCFMWBXRZGNI-UHFFFAOYSA-N 318.808 1.995 0 40 DDAB NC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 71788259 GDAQVXISDUMUJG-LBPRGKRZSA-N 323.349 1.205 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC[C@H](O)c1cccs1 77114600 ZKVZBNCJCUPPLQ-JTQLQIEISA-N 316.404 1.755 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71288044 WYCDMNNQVICBOG-QWRGUYRKSA-N 306.318 1.089 0 40 DDAB COc1cccc2c(=O)c(C(=O)NCCc3ccncc3)c[nH]c12 79484696 JZKNFPWSTWQBDU-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB Cc1ccc(NCCNS(=O)(=O)Cc2ccccc2)nn1 35597952 XZUIXRIHTLNQFW-UHFFFAOYSA-N 306.391 1.317 0 40 DDAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72364491 LMYISAWRKDHKPJ-ZDUSSCGKSA-N 306.391 1.649 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NC[C@H]1CCCO1)O2 40778659 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CN(C)C(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]1O2 96252811 ZUWJTNBKTOHBHZ-HZSPNIEDSA-N 303.362 1.396 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](CO)[C@H]1c1ccc(Br)cc1 242390177 ACLWSFCSOQOKEQ-IJLUTSLNSA-N 319.220 1.958 0 40 DDAB COc1ccccc1CN1Cc2ccnn2[C@@H](C(=O)N(C)C)C1 248024650 RYXQSNBFSZRHQC-OAHLLOKOSA-N 314.389 1.537 0 40 DDAB O=C(Cn1ccnc1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257311101 UHYBCYVFHQXIHZ-BFYDXBDKSA-N 315.373 1.360 0 40 DDAB C[C@]12CCCN(C(=O)c3ncccc3O)[C@H]1CCCC(=O)N2 257246897 IWJHRZWIENXQCM-LRDDRELGSA-N 303.362 1.451 0 40 DDAB O=C(c1csc2c1CCCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 257224493 FCADQZNXDARMRR-HUUCEWRRSA-N 320.458 1.908 0 40 DDAB O=C(c1cnco1)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257328957 XHTRQBUEMOFQML-NSHDSACASA-N 313.317 1.790 0 40 DDAB O=C(CCN1CCCCCC1)N1CC[C@@](O)(CN2CCCC2)C1 257239525 HPSXSBZEFNXPPL-GOSISDBHSA-N 323.481 1.312 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1c1ccn[nH]1 257275814 NQZYCHMHVVWLHP-CYBMUJFWSA-N 311.338 1.311 0 40 DDAB CNC(=O)c1cc(C[C@H]2CCCN(c3ncccn3)C2)ncn1 257258658 KUZIFGYHRLDDTE-GFCCVEGCSA-N 312.377 1.085 0 40 DDAB O=C(/C=C/c1cccnc1)N1CC[C@](O)(CN2CCCC2)C1 257327470 XBLVBTSPTIZMSX-RTRPANQVSA-N 301.390 1.154 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 85436798 WOKQXWUHSNGONK-KTRBRXNASA-N 308.809 1.878 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(-n2cnnn2)c1 362750255 MLWJVRABXROACA-JKSUJKDBSA-N 321.340 1.050 0 40 DDAB CS(=O)(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 96098179 NAHKUMZOKWKVHC-UHFFFAOYSA-N 311.359 1.065 0 40 DDAB CO[C@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(C)s1 96104840 LBOWKDBEECRHDG-GFCCVEGCSA-N 310.419 1.919 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)Nc2ncn(CC(=O)O)n2)c1 647781014 XVMJPDVHFWIWMA-SNVBAGLBSA-N 304.306 1.077 0 40 DDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)N(C)Cc1cccc(C)c1 585281237 UOIUKGLTBXWMMC-SFHVURJKSA-N 318.417 1.717 0 40 DDAB CCCS(=O)(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 57003402 BAZKQLZFZGDGFW-AWEZNQCLSA-N 323.418 1.848 0 40 DDAB COc1cccc(C(=O)N[C@@H](C)C(=O)NC2CCCC2)c1OC 69453649 BUNGBPZPJOOCKX-NSHDSACASA-N 320.389 1.881 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 71865905 XNOLCQPDUVDIJS-STQMWFEESA-N 313.423 1.006 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 106918676 VQEXYIZVWOCXQF-AXAPSJFSSA-N 302.378 1.453 0 40 DDAB CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 97263653 MZGRCBMROOWMTM-ZETCQYMHSA-N 320.233 1.808 0 40 DDAB Cn1cnc(CN2CCOC[C@](O)(COc3ccccc3)C2)c1 1615191015 JSGOTRSWODFHEL-KRWDZBQOSA-N 317.389 1.062 0 40 DDAB CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)n1C)S[C@H](C)C2 250216 PSZOLPRNYXACCX-HTQZYQBOSA-N 314.432 1.861 0 40 DDAB Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 5413524 APYWGVAGSBOPNR-GXTWGEPZSA-N 309.369 1.690 0 40 DDAB biogenic,in-vitro COc1ccc([C@@H](NC(=O)c2cncnc2)c2nccn2C)cc1 12114929 GNZLPUJOTHPGSQ-OAHLLOKOSA-N 323.356 1.738 0 40 DDAB CC(C)n1nccc1C(=O)Nc1cnccc1N1CCOCC1 153150605 WXNFZPZZJMGSNJ-UHFFFAOYSA-N 315.377 1.948 0 40 DDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)[C@@H]1CCOC1 238869983 MQZAALSMHJZDKN-MRVPVSSYSA-N 314.267 1.401 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1cccs1 2657416 HMPMCPNNQKVZPH-UHFFFAOYSA-N 319.338 1.950 0 40 DDAB CCN1CCN(C(=O)N2CC[C@H](c3cccs3)C2)C(=O)C1=O 823112189 OTVTYSKDWNANFG-NSHDSACASA-N 321.402 1.348 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580408 BWRPGPXPMJORNE-LLVKDONJSA-N 310.419 1.927 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889096343 QWTAILOTSBDWDA-AWEZNQCLSA-N 320.462 1.885 0 40 DDAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1(C)C 25148325 ZJCYJBVNFQXUAF-RYUDHWBXSA-N 319.405 1.425 0 40 DDAB Cc1nc2c(cc1C(=O)N[C@H](C)[C@@H]1CCCO1)c(C)nn2C 27908322 BWUSPAKOOMQZHG-RISCZKNCSA-N 302.378 1.882 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)nc1 2037984587 GKJQLEQOCWAUSF-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB Cc1noc(CN2CCN(Cc3ccncc3F)[C@H](C)C2)n1 2086903786 ALPKFHYPLMTUHP-LLVKDONJSA-N 305.357 1.618 0 40 DDAB CCc1ccc(C(=O)N2C[C@@H]3OCCN(C(C)C)[C@@H]3C2)cn1 1565548602 GDDGLMIYOMPHBF-CVEARBPZSA-N 303.406 1.578 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@]12CCN(C(=O)CC1(O)CCC1)C2 1565550076 ONRWFABEEIOIJM-XJKSGUPXSA-N 306.406 1.199 0 40 DDAB O=C(CCF)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1565548386 YJCILEACEBKLKS-YCPHGPKFSA-N 308.353 1.716 0 40 DDAB CC(C)N1CCO[C@@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@@H]2C1 1565547496 RWXVBFUWWDNNBV-TZMCWYRMSA-N 316.392 1.989 0 40 DDAB CCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5314596 KHYJIUWOYMHKHO-UHFFFAOYSA-N 318.420 1.378 0 40 DDAB CCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 21756760 XKZUJUFVKFFHKU-UHFFFAOYSA-N 312.391 1.374 0 40 DDAB CSc1ncc(C)c(N2CCN(Cc3nc(C)no3)CC2)n1 2086861083 FQEZCSFQPQXXFW-UHFFFAOYSA-N 320.422 1.521 0 40 DDAB COc1ccc(CCC(=O)NCCn2ccn3nccc23)cc1 206743552 QEARMQNUSBTYFZ-UHFFFAOYSA-N 312.373 1.893 0 40 DDAB Cc1ccc2c(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)cccc2n1 36708421 ZYAPWPKHWVMGJA-UHFFFAOYSA-N 324.340 1.409 0 40 DDAB COc1ccc2cccc(NC(=O)CN3C(=O)CCC3=O)c2n1 49027952 GZASWTAOBFJQSB-UHFFFAOYSA-N 313.313 1.331 0 40 DDAB O=C(c1ccncc1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031400 JZVWOESPYOJYQE-CQSZACIVSA-N 317.414 1.635 0 40 DDAB C[C@@H](N)C(=O)N1Cc2ccccc2O[C@@]2(CCCN(C)CC2)C1 72394792 YCNQXHSTPRIQLA-RDTXWAMCSA-N 317.433 1.609 0 40 DDAB C[C@@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 40033839 GUGXPYFQNMQDLV-LBPRGKRZSA-N 315.373 1.381 0 40 DDAB O=C(NCCCN1CCCC1=O)c1ccccc1-n1cccn1 40553291 XRCHLENQDHJRLQ-UHFFFAOYSA-N 312.373 1.615 0 40 DDAB CC(C)(C)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 11591401 CJXOQAMXVITRIZ-QGZVFWFLSA-N 316.357 1.831 0 40 DDAB Nc1nc(N)c(N2CCN(Cc3ccccc3)CC2)c(Cl)n1 1611387 CBUZCTGYNYPFSE-UHFFFAOYSA-N 318.812 1.617 0 40 DDAB CCOC(=O)[C@]12CCC(=O)C[C@@]1(O)CCC1(C2)OCCCO1 1727033 BEIFTWJQMHSNMF-CABCVRRESA-N 312.362 1.337 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)c1 20636300 GMVMXSUAUDOGHM-SNVBAGLBSA-N 319.390 1.113 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)N3CCOC[C@H]3C)CC2=O)c1C 46258532 DKHLIOQEXASLSA-UKRRQHHQSA-N 316.401 1.904 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccc(OC)cc3)C=C[C@@H]1O2 4350848 FZIWRTKVHSYYOT-SJCJKPOMSA-N 316.309 1.502 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101485371 GZSGYCLUCFHWPX-UTLUCORTSA-N 305.359 1.421 0 40 DDAB C[C@@](N)(CC(O)(C(F)(F)Cl)C(F)(F)Cl)C(=O)O 6442030 OMRIVBPYBDNNKV-SCSAIBSYSA-N 302.051 1.573 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H](n2ccnc2)C1 69662348 XGAOEYGDEIRXLW-ZDUSSCGKSA-N 315.402 1.999 0 40 DDAB NC(=S)n1ncc(C(=O)O)c1NC(=O)c1ccccc1Cl 2654030 KOTLAYVARXSPHM-UHFFFAOYSA-N 324.749 1.579 0 40 DDAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCOCC1)C(=O)C2 100378159 UFVYTBAYGAJUQD-RISCZKNCSA-N 301.408 1.044 0 40 DDAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N 531376 ANRNKABPSGYMTQ-UHFFFAOYSA-N 305.407 1.619 0 40 DDAB COc1ccccc1CC(=O)NCCCCN1CCOCC1 41573436 PAIBTTXSNPKJJT-UHFFFAOYSA-N 306.406 1.466 0 40 DDAB Cc1cc(C(F)F)nn1CC(=O)NCCCN1CCCC1=O 2782184 DIWXKZFJTRYURY-UHFFFAOYSA-N 314.336 1.258 0 40 DDAB COCCN(CC(N)=O)Cc1ccc(Br)cc1 53124125 CRIINSITFNFFHW-UHFFFAOYSA-N 301.184 1.383 0 40 DDAB CNC(=O)c1nnsc1N1CCN(Cc2ccccc2)CC1 33435887 DVYFTQJVTFMPEK-UHFFFAOYSA-N 317.418 1.220 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 810945 GUKWVVUJLURNRI-UHFFFAOYSA-N 316.810 1.950 0 40 DDAB COc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(O)c1 23100464 OVUHYXNOZKQYMZ-UHFFFAOYSA-N 316.313 1.517 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@@H]3C2=O)c(C)c1 101358942 QECXBLNTEYYVAF-HOCLYGCPSA-N 321.336 1.991 0 40 DDAB CC(C)C(=O)N1CCN(c2ccc3nc(NN)sc3c2)CC1 57354592 DVTDVFFUSRJMSD-UHFFFAOYSA-N 319.434 1.887 0 40 DDAB O=C1N[C@@H](c2ccccc2)c2cc3c(cnc4ncnn43)c(=O)n21 22606868 XJBMRCDEPPWIGI-ZDUSSCGKSA-N 318.296 1.100 0 40 DDAB C[C@H](O)CN1CCN(Cc2nc(-c3ccoc3)no2)C[C@@H]1C 106868188 QAFBWPAMIVUSQX-RYUDHWBXSA-N 306.366 1.217 0 40 DDAB c1cncc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)c1 107745269 UYHYXKSCTDWULR-ZACQAIPSSA-N 303.406 1.146 0 40 DDAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(CCCO)C3 61969225 ORZIFQGMGLXESW-UHFFFAOYSA-N 301.342 1.816 0 40 DDAB NC(=O)[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1 56182675 BWDHCFPPZUSWJR-SFHVURJKSA-N 324.428 1.862 0 40 DDAB COc1cc(/C=C/C(=O)OCC(=O)N2CCCCC2)ccc1O 3252915 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Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCNC(=O)[C@@H]2C)c1 58342708 JBAGXZJAVPXUET-QWRGUYRKSA-N 310.781 1.763 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 48243602 MQGUTQISVHVPEB-OAHLLOKOSA-N 322.453 1.725 0 40 DDAB COCCNC(=O)CN[C@H](C)c1ccccc1Br 12891843 TUQHMSRQKGDQMK-SNVBAGLBSA-N 315.211 1.862 0 40 DDAB COCCOc1ncccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 69322307 NARIZGMUNACPEW-HUUCEWRRSA-N 320.389 1.890 0 40 DDAB Cc1nnc2n1CCN(C(=O)C(C)(C)n1cc(Cl)cn1)C2 69490333 QLGJIQSEUXWLIS-UHFFFAOYSA-N 308.773 1.214 0 40 DDAB CCN(CC)C(=O)CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1OC 69414478 OCYMISBSCXLEJU-ZIAGYGMSSA-N 319.405 1.719 0 40 DDAB COC(=O)Cn1cnc2c(sc3nc(C)c(C)cc32)c1=O 13690208 BICAWUZWKQJWIS-UHFFFAOYSA-N 303.343 1.796 0 40 DDAB C[C@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)C[C@@H](C)O1 14138102 VTIDPGDAZNQEJQ-PHIMTYICSA-N 307.325 1.709 0 40 DDAB CN(C)c1ncccc1C(=O)NCCNC(=O)CC1CCCC1 65625099 UCTFNQFQKWIIAG-UHFFFAOYSA-N 318.421 1.574 0 40 DDAB CCOc1nc2ccccc2nc1N1CCC(C(N)=O)CC1 5483267 FIEIHBVIVAEGBS-UHFFFAOYSA-N 300.362 1.730 0 40 DDAB Cn1cc(CN2C[C@@H]3[C@@H](C2)c2ccccc2S3(=O)=O)cn1 306123730 AUVSNWLEWVWCKG-DZGCQCFKSA-N 303.387 1.175 0 40 DDAB COCCc1noc(CN2CCCC[C@H]2Cn2cc(C)cn2)n1 69841333 HWVYHDGSATVUNP-AWEZNQCLSA-N 319.409 1.818 0 40 DDAB CC(C)(C)OC(=O)CNc1ccc2nnc(C(F)(F)F)n2n1 69929363 UTNZUKHIFHHYBG-UHFFFAOYSA-N 317.271 1.897 0 40 DDAB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 8775069 STXVAJRKMYIPOG-GOSISDBHSA-N 323.352 1.753 0 40 DDAB CCN(CC)C(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 8783031 KMNSFCCKCIBJEH-NSHDSACASA-N 316.398 1.849 0 40 DDAB CCCCS(=O)(=O)N1CCN(c2cc(C)nc(C)n2)CC1 67404589 PDNUKRNSRHYOOT-UHFFFAOYSA-N 312.439 1.345 0 40 DDAB CC(C)CNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842642 JPULBDKKRZIKLH-NSHDSACASA-N 324.402 1.385 0 40 DDAB CCNC(=O)N1CCN(C(=O)c2ccc(SCC)nc2)CC1 68238767 XHEIIORKIGHBPF-UHFFFAOYSA-N 322.434 1.681 0 40 DDAB O=S1(=O)CCC[C@H]1CNCc1c[nH]nc1-c1ccccc1 89847954 OEUFSUXWVJISDV-AWEZNQCLSA-N 305.403 1.744 0 40 DDAB COc1cccc(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 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DDAB O=C(c1ccncc1)N1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 97034177 SGTXBFSZYMUNHR-MSOLQXFVSA-N 323.396 1.498 0 40 DDAB Cc1nn(CCO)c(C)c1CNCc1ccc2c(c1)OCCO2 97159807 TYKRPZPKGHFRCG-UHFFFAOYSA-N 317.389 1.553 0 40 DDAB Cc1ccc(CC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cn1 97146945 JLCIHUMJWYSQAL-HNNXBMFYSA-N 301.321 1.414 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC34CCC4)cc21 72307419 QDVMXUYTABZCBG-UHFFFAOYSA-N 320.414 1.913 0 40 DDAB Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CO)cc1C 97234535 RKLQHZIMHZQPHN-JKSUJKDBSA-N 318.417 1.701 0 40 DDAB Cc1ccc2cc(C(=O)N3C[C@@H](CO)OC[C@H]3C)ccc2n1 97230326 JQCQMRSTBMDAJU-DOMZBBRYSA-N 300.358 1.765 0 40 DDAB Cn1cc(C(N)=O)cc1C(=O)OCc1ccc(-n2cccn2)cc1 84314409 JNHQCXRSIKJRHQ-UHFFFAOYSA-N 324.340 1.667 0 40 DDAB COCc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)o1 76054782 KKBPCJRGSJGJMS-BLLLJJGKSA-N 322.405 1.527 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C[C@](C)(O)c3ccccc3)CCO2)n1 76048222 MZABCTQHUKRTAC-HOCLYGCPSA-N 302.378 1.394 0 40 DDAB O=C(Cc1ccc(F)cc1F)NCC(=O)Nc1ccccn1 95427234 YRNUIJNGJJLQPB-UHFFFAOYSA-N 305.284 1.657 0 40 DDAB NC(=O)NCCCCC(=O)N1CCC[C@@H]1CC(=O)c1ccco1 95412393 KFMVSGOLJLGZAA-GFCCVEGCSA-N 321.377 1.682 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(c2ccncc2Cl)CC1 95438389 HFFMJQQSWPJTQN-UHFFFAOYSA-N 318.764 1.386 0 40 DDAB CCS(=O)(=O)N(C)C1CCN(CC2(O)CCCCC2)CC1 95431939 BHVARIHDRPEVLS-UHFFFAOYSA-N 318.483 1.428 0 40 DDAB CN(C)CCn1ccc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc21 73102643 MMLPETLQVVJCAL-AWEZNQCLSA-N 314.389 1.420 0 40 DDAB COC[C@H]1CN(c2ccc(-n3nc(C)cc3C)nn2)CCO1 78343060 SYROXTMZIRAXGA-CYBMUJFWSA-N 303.366 1.131 0 40 DDAB COC(=O)c1cn(CC(=O)N[C@@H]2CCCc3ccccc32)nn1 78405942 PMKXDKWICYRWTP-CYBMUJFWSA-N 314.345 1.259 0 40 DDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NC(C1CC1)C1CC1 78590128 GQLNAMFEPRHFTA-UHFFFAOYSA-N 304.390 1.611 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3ccccc3F)C2=O)cn1 98010390 IVLBUDKOGBPVHO-ZDUSSCGKSA-N 302.309 1.095 0 40 DDAB NC(=O)c1ccn(-c2ccccc2NC(=O)C2CCOCC2)n1 78710315 VILFLNUCSQMCHR-UHFFFAOYSA-N 314.345 1.336 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n1 78892755 PBMWHSLBZGYPJJ-ZDUSSCGKSA-N 317.393 1.200 0 40 DDAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cn2cnnn2)cc1 74517521 QCQBJIREABEEIE-UKRRQHHQSA-N 301.350 1.018 0 40 DDAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1nn[nH]n1 79479772 DNZPXQSIPFOXGL-UHFFFAOYSA-N 319.712 1.474 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3nc[nH]n3)C2)n1 79481887 NTRDZTPUOMMILW-NSHDSACASA-N 301.354 1.067 0 40 DDAB COc1cc(N2CCC([C@@H](O)c3cccnc3)CC2)ncn1 65370165 LVAHHFVZPFBBPU-MRXNPFEDSA-N 300.362 1.830 0 40 DDAB CC(=O)Nc1nc2c(s1)COC[C@]21CCN(C(=O)C(C)C)C1 306135094 OHQHMRAJUJJUPI-OAHLLOKOSA-N 323.418 1.758 0 40 DDAB CCOC(=O)CN1CCO[C@H](COc2cccc(OC)c2)C1 217491234 APDXXBQRFMLMRC-HNNXBMFYSA-N 309.362 1.338 0 40 DDAB Cc1ccsc1S(=O)(=O)NCC1(C(=O)O)CCOCC1 548531154 SPCDNEHUZSZBQO-UHFFFAOYSA-N 319.404 1.216 0 40 DDAB CN(C)CCN1CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccsc1 306134149 NEKDZFWFYGRYRS-HUUCEWRRSA-N 307.463 1.527 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCC(c3nnc(O)o3)CC2)[C@@H]1C 529273138 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O=C(O)C1(CN2CCN(c3ncnc4ccsc34)CC2)CC1 570934071 WVOKZKYVUUHUMG-UHFFFAOYSA-N 318.402 1.678 0 40 DDAB c1ccc(CCCO[C@H]2CCN(c3ccc4nnnn4n3)C2)cc1 80232484 WBUKYQLHDDOISW-HNNXBMFYSA-N 324.388 1.747 0 40 DDAB C[C@H](CNC(=O)NC[C@](C)(O)c1cnn(C)c1)c1cccs1 96421628 OEXBIEDQKLUBNY-ABAIWWIYSA-N 322.434 1.792 0 40 DDAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cc(C)nn1CC 97953681 GVSJDBQYYAUAIQ-QEJZJMRPSA-N 307.394 1.620 0 40 DDAB CS(=O)(=O)[C@@H](CO)[C@@H](N)c1ccc(-c2ccccc2)cc1 96525036 GURMROZWJNLREB-HOTGVXAUSA-N 305.399 1.759 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCn2nccc2C1 239593181 DSCDYYMVHSAZAA-LBPRGKRZSA-N 309.366 1.624 0 40 DDAB CN1C[C@@H](NS(=O)(=O)c2ccccc2C(C)(C)C)CCC1=O 96428137 QWPDWRJPGOODLN-LBPRGKRZSA-N 324.446 1.883 0 40 DDAB O=C(c1ccncc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 238868401 MHQDKALFUNJBMS-UHFFFAOYSA-N 323.400 1.713 0 40 DDAB CC(C)CN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]21 248246868 QQDAVTJBWPPYGP-HZPDHXFCSA-N 308.447 1.788 0 40 DDAB COC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242722732 XSXFOGHGWCUQCY-JHJVBQTASA-N 303.811 1.442 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2cn(C)c3ccccc23)CCO1 257280236 OKAOUQSVMIBHMS-KRWDZBQOSA-N 315.373 1.155 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)Cc2cccs2)n1 257298855 RNNBNCAEYPDCJS-CYBMUJFWSA-N 319.386 1.695 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cncc(Cl)n2)C1 257259881 LALPIDZCKOMXFW-SNVBAGLBSA-N 318.830 1.191 0 40 DDAB CCc1cc(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)no1 257280918 OMYJWPOHFJBMFF-CYBMUJFWSA-N 302.334 1.428 0 40 DDAB Oc1nc(C2CCN([C@H]3COC[C@@H]3O)CC2)cc2ccccc12 257298386 RLKPRAWXWOIAMP-IRXDYDNUSA-N 314.385 1.880 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CC1CCCC1 257264461 LUMLCBXKMFBSIV-INIZCTEOSA-N 302.378 1.360 0 40 DDAB CN1C(=O)CO[C@H]2CN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 257240328 HSZVSVREGLJMET-HOTGVXAUSA-N 314.385 1.247 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257288471 PUIAIOQSHVCYFN-AWEZNQCLSA-N 304.394 1.119 0 40 DDAB CC(=O)N[C@]1(C)C[C@@H](C2CCNCC2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257290898 QETNFLDCRWFJQA-CWQOZTLDSA-N 322.449 1.365 0 40 DDAB O=C(c1cncs1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257328873 XHKVPNGRAHYJIX-VXGBXAGGSA-N 308.334 1.547 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)n1 257316174 VELMSVITHRUNLR-AWEZNQCLSA-N 317.393 1.142 0 40 DDAB COCc1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1 262367286 DWIIJILWJYXYKZ-CYBMUJFWSA-N 313.375 1.461 0 40 DDAB CCOc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1 260830807 HZJZPTYUOOBADK-ABAIWWIYSA-N 324.402 1.448 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585288557 DOQFXCFCOGCLTQ-MRXNPFEDSA-N 306.362 1.575 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2F)[C@@H]1O 585280964 QVSFMSHBLCIKFT-BMFZPTHFSA-N 322.380 1.402 0 40 DDAB COc1c(C)[nH]cc(CN(C)c2ccc3nccnc3n2)c1=O 894803948 FBVAKYYYTCUITI-UHFFFAOYSA-N 311.345 1.667 0 40 DDAB O=C(CN1CCCC2(C1)OCCO2)Nc1ccc(F)cc1F 90563264 CVVUTRUHWZGMNG-UHFFFAOYSA-N 312.316 1.742 0 40 DDAB Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2C2CC2)on1 13226139 DZQUONZJKCCEJJ-UHFFFAOYSA-N 316.361 1.609 0 40 DDAB O=C(CCn1ccc2ccc(F)cc21)N[C@@H]1C=CS(=O)(=O)C1 13693652 SUOZHJDONXVPAN-CYBMUJFWSA-N 322.361 1.597 0 40 DDAB Cc1cnc(C(=O)N2CC[C@H](c3cc4nccnc4[nH]3)C2)cn1 19717400 NPTZRQADLJKBPV-NSHDSACASA-N 308.345 1.686 0 40 DDAB O=C(NCCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 239611829 FFKGCBNJQSABJE-BZUAXINKSA-N 304.390 1.865 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C2CC2)n1 1888863835 CTUQOSUBHNEVDI-UHFFFAOYSA-N 324.388 1.415 0 40 DDAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)no1 1888891040 DJRFZPDMVOUQSM-HNNXBMFYSA-N 312.329 1.632 0 40 DDAB CC(C)NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 1849958258 JSBMNADSUPTHAF-UHFFFAOYSA-N 302.378 1.290 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@]21C(=O)N1CCCC1 2056224915 GNVQPSQWUVVDFC-BLLLJJGKSA-N 303.337 1.448 0 40 DDAB CCCN1CC2=C(C1=O)[C@H](c1ccc(OC)cc1)NC(=O)N2 4854726 LKIINERIZXLHAK-AWEZNQCLSA-N 301.346 1.555 0 40 DDAB CC(C)N1CCC(CNC(=O)C(=O)Nc2ccccc2)CC1 12441401 PMOIUQVFWWFPEL-UHFFFAOYSA-N 303.406 1.862 0 40 DDAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccno1 17170495 NQDRDYZWUOQXOV-UHFFFAOYSA-N 300.230 1.706 0 40 DDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2CC2)cn1 2055719431 BNJIVZOQHLEXST-JKSUJKDBSA-N 303.406 1.769 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1 225575690 GRNPOVWLICPDHU-UHFFFAOYSA-N 304.331 1.539 0 40 DDAB O=C(c1ccc[n+]([O-])c1)N1CC[C@@H](Oc2ccncc2Cl)C1 575609988 DQMSHKWLHJLPNP-GFCCVEGCSA-N 319.748 1.662 0 40 DDAB CN1CCN(C(=O)/C=C/c2cnn(C)c2)[C@H](c2ccccc2)C1 30030093 DTNVJDNJWOUKIT-IJDCCNJMSA-N 310.401 1.949 0 40 DDAB Cc1ccc([C@H](C)NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)o1 40039908 SWZWOXWAGFGKAJ-TUAOUCFPSA-N 302.396 1.593 0 40 DDAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCNC3=O)c2c1 77324 VUOSKYDVWYHMGW-CYBMUJFWSA-N 315.373 1.361 0 40 DDAB aggregator,biogenic COc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)O)cn2)cc1 20326330 QQANQGULSYHQQS-SNVBAGLBSA-N 303.318 1.467 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1C(=O)N[C@]2(C)C[C@@H]1c1ccccc1O2 100607300 GDQYQXBBTHPLFM-NDGTYSDOSA-N 302.374 1.930 0 40 DDAB CCOc1ncccc1NC(=O)N(C)Cc1nnc2n1CCC2 40540921 ZRBRHLFXZWCATQ-UHFFFAOYSA-N 316.365 1.682 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCNc1ncccn1 40513607 PSXRHPOUIXSFSD-UHFFFAOYSA-N 306.753 1.981 0 40 DDAB O=C(CN1CCSC1=O)Nc1cccnc1-n1cccn1 40504953 VRBFLDKVMWLGIX-UHFFFAOYSA-N 303.347 1.375 0 40 DDAB Nc1nccnc1C(=O)NCC1(N2CCSCC2)CCCC1 31958612 IDMFQIPXCDSPQV-UHFFFAOYSA-N 321.450 1.150 0 40 DDAB O=C(NCc1cccc(OCC(F)F)c1)N1CCOCC1 69619674 MTYGCFRQMSPQDU-UHFFFAOYSA-N 300.305 1.872 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 69627623 IIYYRLGDSLOROP-JKSUJKDBSA-N 319.449 1.238 0 40 DDAB CN1C[C@@H](C(=O)N2CCCN(Cc3ccccc3)CC2)CC1=O 46180645 XKCBZCDXVZYEFW-INIZCTEOSA-N 315.417 1.199 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 21061661 ISGLWDFQFCCSAC-RYUDHWBXSA-N 321.421 1.835 0 40 DDAB CCCCCNC(=O)c1nn(-c2ccc(F)cc2)nc1CO 21172891 HWDDJWKDHJIDAR-UHFFFAOYSA-N 306.341 1.819 0 40 DDAB O=C(NCCN(CCO)C(=O)c1cccs1)c1cccs1 6863505 YZYYQCJXHOXLLE-UHFFFAOYSA-N 324.427 1.674 0 40 DDAB O=C1NCCN1C1CCN(Cc2nnc(-c3ccco3)o2)CC1 52214982 HPWAWGKNNXKLQL-UHFFFAOYSA-N 317.349 1.319 0 40 DDAB CN(CCOc1ccccc1)C(=O)c1ccc(-n2cnnn2)cc1 21327255 RYAPNCPNCIPKTF-UHFFFAOYSA-N 323.356 1.813 0 40 DDAB CN(CC(=O)N1CCOCC1)CC12CC3CC(CC(C3)C1)C2 52798807 YPZLVJJNQFGYEG-UHFFFAOYSA-N 306.450 1.993 0 40 DDAB COc1ccc(Nn2ccc3c(cnc4ncnn43)c2=O)cc1 9290499 NOIXLUFKQRMALD-UHFFFAOYSA-N 308.301 1.323 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 69487482 GECJWRMTESJURV-HCRIHEDKSA-N 318.373 1.272 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)cc1 9515892 AFBSLSOYAOMBOH-AWEZNQCLSA-N 304.371 1.500 0 40 DDAB O=S(=O)(NC[C@H]1CCCN1)c1ccccc1Br 53254459 HPIIOCCLMJQJAX-SECBINFHSA-N 319.224 1.479 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCN1C[C@@H](C)C[C@H](C)C1 46881111 JASJTDHCDIGXIX-STQMWFEESA-N 306.454 1.674 0 40 DDAB O=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(=O)[nH]c21 12396437 YTTVEWLUWZFDPQ-UHFFFAOYSA-N 301.224 1.705 0 40 DDAB CCOC(=O)Cc1cs/c(=N\c2ccccc2)n1CCO 22855682 RDUGELKMUALVGS-NXVVXOECSA-N 306.387 1.880 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 102332270 OABOSBXICQEOPN-XUXIUFHCSA-N 305.330 1.902 0 40 DDAB COCCNC(=O)CN(C)C(=O)C1(c2ccc(F)cc2)CC1 47631724 SANIIUKWAJEWAI-UHFFFAOYSA-N 308.353 1.078 0 40 DDAB Cc1cc(NC(=O)NC2CCN(c3ncccn3)CC2)n(C)n1 43432473 YUBSYBWKJFEKHU-UHFFFAOYSA-N 315.381 1.309 0 40 DDAB O=C(CC(=O)N1CCOCC1)Nc1nc2ccc(F)cc2s1 1409734 VYQQMLWUJMWQLF-UHFFFAOYSA-N 323.349 1.623 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NOCc1ccccc1)CS2 25286521 ONAVIPQHPCMDES-WFASDCNBSA-N 306.387 1.688 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C12CCC2 106916539 WVPDQGGFGAOIGN-FPMFFAJLSA-N 308.422 1.755 0 40 DDAB O[C@@H](COCc1ccco1)CN1CCN(c2ccccc2)CC1 25514127 QEKKCGAUPPNWGZ-QGZVFWFLSA-N 316.401 1.979 0 40 DDAB Cc1cccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n1 25961328 SFKVMJUMIKEPEG-UHFFFAOYSA-N 305.359 1.598 0 40 DDAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 25910269 CAULRSXLBOHZOU-UHFFFAOYSA-N 311.341 1.505 0 40 DDAB O=C(NCc1cn[nH]n1)[C@@H]1CCCN1c1ncnc2ccccc12 89872915 KSYQCRBFESWRSC-AWEZNQCLSA-N 323.360 1.033 0 40 DDAB O=c1cc(I)cnn1[C@@H]1CCCCO1 115022339 AWGCIDIZOBRSTM-VIFPVBQESA-N 306.103 1.547 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)c2cn3cccnc3n2)C12CCC2 89985941 PWUJIBVNEOTORY-STQMWFEESA-N 300.362 1.807 0 40 DDAB C[C@H]1CCc2sc(C(=O)N3CCS(=O)(=O)CC3)cc2C1 57794867 OKTVVLCADKDNBW-JTQLQIEISA-N 313.444 1.744 0 40 DDAB Cc1noc(C(C)C)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 44720698 ANLDXHWIGZVPJA-SNVBAGLBSA-N 300.380 1.271 0 40 DDAB C[C@H]1CN(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)CCO1 44736741 HCJMKOBBFBQVOS-BBRMVZONSA-N 322.380 1.446 0 40 DDAB C[C@H](OC[C@H](O)CNC(=O)c1ccccn1)c1ccccc1 58266517 VSAKAPDEBXASBP-DZGCQCFKSA-N 300.358 1.950 0 40 DDAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1CCCO1 36185309 JNGKJESNZVKMSD-CQSZACIVSA-N 306.362 1.661 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc2c(c1)CCC2 58370220 AVDGFPGLZPKCLA-UHFFFAOYSA-N 310.401 1.914 0 40 DDAB Cc1nn(C[C@@H](O)c2ccc(F)cc2)c(=O)c2noc(C)c12 58342743 HSDPSUUZMRFFLK-GFCCVEGCSA-N 303.293 1.874 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 3309792 HTMKRUWLQRVZPL-UHFFFAOYSA-N 315.373 1.686 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3C4CCC3CC4)ccc21 12800258 IDHFNTNZTMQBQD-UHFFFAOYSA-N 313.357 1.477 0 40 DDAB C[C@@H](OC(=O)c1cnn(C)c1)C(=O)Nc1cccnc1Cl 12852856 HMQSQIOZSAEJGH-MRVPVSSYSA-N 308.725 1.653 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCc1cccs1 69597593 MXRLSQKUMTZSNX-LBPRGKRZSA-N 305.407 1.120 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5126919 IHOVFJMGGZZGHA-UHFFFAOYSA-N 322.405 1.980 0 40 DDAB O=[S@@]1NN(c2ccccc2)[S@@](=O)NN1c1ccccc1 4408686 YVTAKMRIUQIVMZ-BGYRXZFFSA-N 308.388 1.180 0 40 DDAB Nc1nccnc1C(=O)OCc1cn2cc(Cl)ccc2n1 14060031 XXAVJNRCOLCUSF-UHFFFAOYSA-N 303.709 1.717 0 40 DDAB CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4505441 CPWVMWSJCWRHIC-GFCCVEGCSA-N 317.432 1.057 0 40 DDAB CN(C)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 6608282 LLVSTUWZMZZFLT-UHFFFAOYSA-N 320.506 1.677 0 40 DDAB CC[C@@H](C)N(C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 66125974 GAAGCMROTAPNST-CYBMUJFWSA-N 316.409 1.051 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 110618294 VSIHOIRCGNTOAP-YHUYYLMFSA-N 307.438 1.681 0 40 DDAB CCCCN(CCO)CC(=O)NC[C@@H]1COc2ccccc2O1 70947610 WGIOVSNJWPITQQ-CQSZACIVSA-N 322.405 1.037 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(Cl)cn1 5895311 AUWFXLDHJKYCEL-QMMMGPOBSA-N 312.709 1.493 0 40 DDAB O=C(O)C1=C[C@@H](c2ccc(Br)cc2)n2nnnc2N1 4998541 IESBJFYDBBFYNV-VIFPVBQESA-N 322.122 1.419 0 40 DDAB CCOC(=O)C1CCN(Cn2ncc3ccccc3c2=O)CC1 15413888 USSDWJDBPHZMLC-UHFFFAOYSA-N 315.373 1.629 0 40 DDAB CC(C)Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1 7303509 TULDWUDGIXTSAJ-GFCCVEGCSA-N 318.373 1.982 0 40 DDAB CN([C@H]1CCNC1)S(=O)(=O)c1ccccc1Br 71310266 GQQWQVAAPICZCO-VIFPVBQESA-N 319.224 1.432 0 40 DDAB CCOC[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 81430583 WZIIYTVIZROMTR-GFCCVEGCSA-N 303.362 1.215 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@@H]2CCc3ccc(F)cc32)CCO1 96439982 RUBUEAZVUCCACI-DZGCQCFKSA-N 308.353 1.870 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 71871302 KBLDAYLODNSVEI-XQQFMLRXSA-N 322.371 1.880 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2nccn2C)c(C)c1 71818101 OWASJGUBOLNFFN-UHFFFAOYSA-N 309.391 1.558 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 71830239 XGZHPXKRCSMFKB-WLRDWWDVSA-N 316.357 1.541 0 40 DDAB Cc1nnc2n1CCN([C@@H](C)C(=O)Nc1ccnn1C(C)C)C2 72252992 WILCHRYVDPHHDQ-NSHDSACASA-N 317.397 1.207 0 40 DDAB Cc1cc(CN(C)[C@H]2CCCN(Cc3noc(C)n3)C2)on1 72234566 KHCQCAOVDFJWAG-ZDUSSCGKSA-N 305.382 1.771 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ncoc1[C@H]1CCCO1 72285416 SAQYYMDBFLYPGS-WDEREUQCSA-N 302.334 1.467 0 40 DDAB Cc1nsc(N2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)n1 76092834 NCJHISAPICLDSS-QMMMGPOBSA-N 321.233 1.689 0 40 DDAB COc1cccc(COCC(=O)N[C@H]2CCc3nccn3C2)c1 97197541 QHBXCMPJBGYDIN-AWEZNQCLSA-N 315.373 1.540 0 40 DDAB COCc1cc(N(C[C@@H]2CCOC2)C2CC2)n2ncnc2n1 97145523 UQAAOMZONZLASW-NSHDSACASA-N 303.366 1.276 0 40 DDAB CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)CS(=O)(=O)N(C)C 97107332 XQERQZXREHFZCG-STQMWFEESA-N 304.456 1.551 0 40 DDAB Nc1nc(CN2CCn3c(nnc3C3CC3)C2)nc2ccccc12 84593284 TXMWMOGNBOORQP-UHFFFAOYSA-N 321.388 1.697 0 40 DDAB COc1ccc(C(=O)CNC(=O)c2ccn3ccnc3c2)cc1 95446100 GFRBMPMOHFDMIS-UHFFFAOYSA-N 309.325 1.956 0 40 DDAB CC(=O)N1CCN(CCN[C@@H](C)[C@H](C)c2ccccc2)CC1 95420283 CSPHCIFMPKKURB-HOTGVXAUSA-N 303.450 1.932 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H](c3cc(C)[nH]n3)C2)n(C)n1 78901176 DZNDHMRMPXKHKC-CYBMUJFWSA-N 316.409 1.578 0 40 DDAB NC(=O)COc1ccc(OCc2nnc(-c3ccco3)o2)cc1 79110500 GCPFJFQWWWIMDZ-UHFFFAOYSA-N 315.285 1.773 0 40 DDAB CCNC(=O)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 95998820 RBCLNGDFMZEBLC-GFCCVEGCSA-N 302.334 1.839 0 40 DDAB C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc(F)c1 95941394 OLOWYHPLFVRFTI-LEWSCRJBSA-N 307.369 1.786 0 40 DDAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CCO1 79482009 HBWLCTFEWHJIQQ-KGLIPLIRSA-N 318.421 1.767 0 40 DDAB O=C(c1ccccc1O)N1CCN(c2ncccc2F)CC1 89589513 DTJGOYBEEVQVCE-UHFFFAOYSA-N 301.321 1.889 0 40 DDAB CCn1c(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)nc2ccccc21 72324830 UQLRBKNISHGGBT-QLFBSQMISA-N 314.433 1.696 0 40 DDAB CN(C)c1ncccc1CNS(=O)(=O)Cc1ccc(F)cc1 32438019 TXTFSESHKYIUKA-UHFFFAOYSA-N 323.393 1.906 0 40 DDAB COC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218536979 BVEMMXPFHBPUFB-NTZNESFSSA-N 317.407 1.255 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)c(F)c1F 32551691 GEYVWKYQEYEKES-UHFFFAOYSA-N 319.308 1.658 0 40 DDAB CC(C)NC(=O)[C@@H]1CCCN(c2nc3ncnc(O)c3s2)C1 71289434 XTXPPMZOMDCDNG-SECBINFHSA-N 321.406 1.533 0 40 DDAB CS(=O)(=O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1ccc(Br)cc1 218196505 WOZDOUMKQCWPFV-AEJSXWLSSA-N 319.176 1.660 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(N)COC 218514751 IVEIXUKTHAQUOL-XQQFMLRXSA-N 303.811 1.584 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C[C@@H](C)O1 72239755 XLGPSPJVQUAMHT-BZPMIXESSA-N 322.430 1.875 0 40 DDAB CCc1noc(C)c1CNC(=O)c1cc(O)nc2ncn(C)c12 568215419 VDPQHGFELBPAGI-UHFFFAOYSA-N 315.333 1.463 0 40 DDAB CN(C)[C@@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1 134051229 LNBNGVXITZDXHJ-HUUCEWRRSA-N 322.453 1.123 0 40 DDAB C[C@@]1(C(=O)NCCn2cccn2)Sc2ccccc2NC1=O 40774301 AEPKUKIJVXJKOZ-HNNXBMFYSA-N 316.386 1.502 0 40 DDAB CCc1cccnc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 571331319 QOOAYCYLGBRLLV-UHFFFAOYSA-N 301.350 1.488 0 40 DDAB COc1cc(OC)cc(C(=O)NCCSc2nc(C)n[nH]2)c1 222931725 GUCSJJKZLQNQEW-UHFFFAOYSA-N 322.390 1.652 0 40 DDAB CCN1CC2(CN(CCc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514289779 OMSVSQQACZZIEK-QZTJIDSGSA-N 315.461 1.054 0 40 DDAB biogenic,in-vitro Cc1cccn2c(CNCC3(C(N)=O)CCOCC3)cnc12 86250560 KCTPBVCKNDVOBO-UHFFFAOYSA-N 302.378 1.014 0 40 DDAB O[C@@H](COCc1ccco1)Cn1nnc(-c2cccs2)n1 193401631 QGFSQMNNSZZLHG-SNVBAGLBSA-N 306.347 1.572 0 40 DDAB Cc1nc([C@H]2CCN(C(=O)C3CN(C4CCCCC4)C3)C2)n[nH]1 333988458 IDWQKOSXWOGQFJ-ZDUSSCGKSA-N 317.437 1.694 0 40 DDAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1 96076260 YSURDIBCCORALR-KRWDZBQOSA-N 320.437 1.383 0 40 DDAB CCc1nc(CNc2cc(-n3cccn3)nc(N)n2)cs1 195575258 KXFOTNSRKNVICW-UHFFFAOYSA-N 301.379 1.876 0 40 DDAB COc1ccc(CN2CCOC[C@H](OCC(=O)N(C)C)C2)cc1 96296511 ICYRZCSOXVPRLZ-MRXNPFEDSA-N 322.405 1.001 0 40 DDAB biogenic,in-vitro CSc1ncc(CN2CC3(CCNCC3)CCC2=O)n1C 92062455 VXUPFDRJDGLCNA-UHFFFAOYSA-N 308.451 1.634 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)Cc1ccon1 96427730 RBVPZFZFCHTSBO-YPMHNXCESA-N 302.396 1.689 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1c(F)cccc1F 96413629 YSUWNSNEQMDOOL-VFZGTOFNSA-N 314.332 1.817 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)/N=c2/[nH]nc(-c3ccoc3)[nH]2)n1 96408400 NQMMAVRQBVGHOW-JTQLQIEISA-N 300.322 1.500 0 40 DDAB CN(C)C[C@@H]1CCN(C(=O)NCCOc2cccc(F)c2)C1 97101573 JNMWTBFAJDILHD-ZDUSSCGKSA-N 309.385 1.798 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)c1cccn1C)CC2 96058804 CEALHMVRLMOIOJ-UHFFFAOYSA-N 313.405 1.512 0 40 DDAB COC(=O)c1ccnc2[nH]nc(I)c12 238324414 YFZOQFUIWQYDPJ-UHFFFAOYSA-N 303.059 1.349 0 40 DDAB COc1ccccc1N1C[C@@H](C(N)=O)C(C(=O)c2ccccc2)=N1 96136938 NMQQBDAPMQSWHA-CYBMUJFWSA-N 323.352 1.856 0 40 DDAB NS(=O)(=O)c1cc(I)ccc1F 238621613 SUFSGEIHKMYXFM-UHFFFAOYSA-N 301.080 1.078 0 40 DDAB O=CN1CCC(OC(=O)c2ncccc2C(F)(F)F)CC1 97374854 RQSFXBKXTDWWOU-UHFFFAOYSA-N 302.252 1.878 0 40 DDAB CN(C(=O)CCC(F)(F)F)[C@@H]1CCC[C@H]1S(C)(=O)=O 96461172 DJLAMPJUQVVLKF-RKDXNWHRSA-N 301.330 1.753 0 40 DDAB CCN(C(=O)N1CCN(C(=O)Cc2ccccn2)CC1)C(C)C 97377837 YMCHNXFUTCWZKQ-UHFFFAOYSA-N 318.421 1.619 0 40 DDAB Cc1nc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)no1 96491108 IIGWJZRCGLYIMF-JTQLQIEISA-N 324.406 1.479 0 40 DDAB Cc1nc(CN2C[C@@]3(CCN(C(=O)N(C)C)C3)CC2=O)cs1 96050938 AMEXTVJLGADBIH-HNNXBMFYSA-N 322.434 1.558 0 40 DDAB CCOC[C@]1(CN)[C@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 242750650 ZUJZVZIEQXDYDF-MGPQQGTHSA-N 301.383 1.318 0 40 DDAB COCC(=O)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257206628 BEGZBVMGGUMULU-OAHLLOKOSA-N 314.345 1.085 0 40 DDAB C[C@@]12CCN(C(=O)CCn3ccccc3=O)[C@@H]1CC[C@@H](O)C2 257228830 FVLDBSHYJXVNAC-CPUCHLNUSA-N 304.390 1.390 0 40 DDAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2nc(C)cc(C)n2)C1 257295986 RASMFMZUPVBKOJ-CYBMUJFWSA-N 312.439 1.469 0 40 DDAB Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)n1 257236530 HCPJSSHDOIULTA-LLVKDONJSA-N 309.395 1.286 0 40 DDAB Nc1nccnc1[C@H]1CN(C(=O)CCc2cccs2)CCO1 257285123 PFTKSRYTNXRPCP-GFCCVEGCSA-N 318.402 1.653 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cccs3)CCO2)n1 257253623 JZPOWZDWDUDCLM-NSHDSACASA-N 305.359 1.766 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(c3cnccn3)CC2)C1 257325207 WRYKXNHOOGJQFL-CQSZACIVSA-N 304.394 1.473 0 40 DDAB CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCN3)o2)CC1 257267456 MHKICLPXKWVARU-LLVKDONJSA-N 314.411 1.023 0 40 DDAB COCCOc1cccc(C(=O)N2CCC[C@](CO)(OC)C2)c1 585142548 YCQWDSUSHYDLMU-KRWDZBQOSA-N 323.389 1.325 0 40 DDAB CCC(CC)NC(=O)[C@H]1CN(CC(N)=O)c2ccccc2O1 69347773 FKFLKDLACJUXJX-CQSZACIVSA-N 305.378 1.044 0 40 DDAB C[C@H](Sc1nnnn1CC(F)(F)F)C(=O)N1CCCC1 69538423 KWSWNSOJJHFMTR-ZETCQYMHSA-N 309.317 1.338 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 66849003 JAGGUJHZCJZBRR-GWCFXTLKSA-N 309.341 1.043 0 40 DDAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCNC(=O)CC1 74907538 JWIQJXYUDWBXDG-OAHLLOKOSA-N 321.396 1.924 0 40 DDAB CCC[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccn1 77749235 UIFRMWRTHOXPCH-GFCCVEGCSA-N 301.350 1.411 0 40 DDAB CS[C@@H]1CC[C@H](N(C)CC(=O)N2C[C@H](C)O[C@H](C)C2)C1 195531517 IHKVUZUROZRKCY-RFQIPJPRSA-N 300.468 1.838 0 40 DDAB CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1c[nH]cn1 95436033 LHFSWOBBHFKEDX-UHFFFAOYSA-N 322.434 1.599 0 40 DDAB C[C@H]1CN(Cc2ccccc2)CCCN1CCS(C)(=O)=O 96419649 HSJRRDYMDBDFNO-HNNXBMFYSA-N 310.463 1.627 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1-n1cnnn1 169680701 CQLOFQNDBXWBMH-GUTXKFCHSA-N 309.373 1.913 0 40 DDAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)NC1=O 2799625 GXERNGYHDBXHHN-YRNVUSSQSA-N 307.327 1.952 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@H]2c2cc(CN(C)C)n[nH]2)cn1 19708925 DBDKNUTXWDLHAQ-HNNXBMFYSA-N 314.393 1.547 0 40 DDAB CO[C@@H]1C[C@@H](c2nncn2C)N(c2ncc(Cl)cc2F)C1 571707293 NEHDQBIXXMLBSO-KOLCDFICSA-N 311.748 1.969 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3cscn3)C2)nc1 1889122643 SOFLWMYCWQWHDL-GFCCVEGCSA-N 317.418 1.983 0 40 DDAB Cc1ccccc1CC(=O)N1CCCN(S(C)(=O)=O)CC1 24778003 YCBBCOMFZZKQDD-UHFFFAOYSA-N 310.419 1.031 0 40 DDAB COCCNC(=O)NC[C@H](c1ccoc1)N1CCSCC1 245171696 XQNGAZYPSYYHCM-CYBMUJFWSA-N 313.423 1.315 0 40 DDAB COCCCN1C[C@]2(CCCCN2C(=O)C2(F)CC2)CC1=O 1565547709 WKVHYPFVENSODZ-HNNXBMFYSA-N 312.385 1.509 0 40 DDAB O=C1NCCN1CCNS(=O)(=O)c1ccc2ccccc2c1 111182 VIWDFTUCTSIHQO-UHFFFAOYSA-N 319.386 1.143 0 40 DDAB O=C(O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 425079 DAWCCCPRHUYKOC-UHFFFAOYSA-N 308.315 1.653 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 4079605 CXGWPDGFKFJPBK-UHFFFAOYSA-N 324.292 1.609 0 40 DDAB O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1cccnc1 4271752 VYPKVACBNNLRAS-UHFFFAOYSA-N 322.303 1.560 0 40 DDAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccccc1F 10186436 KTUIAMGEHRGANI-ZDUSSCGKSA-N 306.293 1.990 0 40 DDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 2055747134 KUWVTPDFCKUXOH-CQSZACIVSA-N 319.405 1.551 0 40 DDAB CC(=O)N1Cc2nnn(CC3CC3)c2[C@H](COCC2CC2)C1 2055747555 GNQFEIQOEWMBTH-AWEZNQCLSA-N 304.394 1.560 0 40 DDAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)CN1C(=O)CCC1=O 575415733 ZMZBLDRVPWIDPW-NSHDSACASA-N 314.341 1.629 0 40 DDAB CN1CCc2cc([C@H](O)CNC(=O)NC3CCOCC3)ccc21 225559055 XRPIACFWMOUUAO-MRXNPFEDSA-N 319.405 1.191 0 40 DDAB COc1cccc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)n1 2298082371 RBWDKKONBQIOBI-UHFFFAOYSA-N 324.388 1.997 0 40 DDAB O=C(COc1ccc(Cl)cc1)N1CC(Nc2cnccn2)C1 885936822 ATFRGCVBMPDMAC-UHFFFAOYSA-N 318.764 1.832 0 40 DDAB Cc1cc(NC(=O)C(C)C)ccc1NC(=O)CN1CCOCC1 20028138 CUCLRHMGBKKCIZ-UHFFFAOYSA-N 319.405 1.860 0 40 DDAB Nn1cnn2c(SCc3cccc(C(F)(F)F)c3)nnc12 54509 WXOCGCHUUAMVSY-UHFFFAOYSA-N 314.296 1.951 0 40 DDAB COCC(=O)OCC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C 50440348 XGHFXQIGDYQHKS-LBPRGKRZSA-N 323.393 1.321 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)NCCCOC(C)C)C1=O 40460008 VLOWMHNUKJHGRD-UHFFFAOYSA-N 313.398 1.028 0 40 DDAB Cc1cc(N2CCN(Cc3nc(C)no3)CC2)nc(C(C)C)n1 40489635 KIJXWSPKZDNRHD-UHFFFAOYSA-N 316.409 1.922 0 40 DDAB CCOC(=O)N1CCN(C[C@@H](O)c2c[nH]c3ccccc23)CC1 20461401 CZYNDGAOEOBFSN-MRXNPFEDSA-N 317.389 1.975 0 40 DDAB CC(C)[C@@H](CNC(=O)c1ccc(O)nn1)N1CCCCCC1 40522797 DLEXNONZZYQGAN-CQSZACIVSA-N 306.410 1.813 0 40 DDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(=O)[nH]n1 8294741 BMHFSGIPTJGBFA-UHFFFAOYSA-N 314.345 1.097 0 40 DDAB COc1ccc(CNC(=O)[C@]23CCC(=O)N2CCS3)cc1 8262936 GLHWEDKERUKPEQ-OAHLLOKOSA-N 306.387 1.377 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1NC(N)=Nc2nc3ccccc3n21 28923030 BSQPMOOYKOJXME-LBPRGKRZSA-N 315.768 1.828 0 40 DDAB COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(F)cc2F)CC1=O 8235040 AVWMEXKAYZJTLF-VHSXEESVSA-N 312.316 1.787 0 40 DDAB Cc1occc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 31939912 FJHDOTATGRQFLM-OAHLLOKOSA-N 310.419 1.526 0 40 DDAB OCCN(CCO)c1ccc(I)cc1 1668381 DXLDMGUELRTYGV-UHFFFAOYSA-N 307.131 1.082 0 40 DDAB C[C@@H](Cn1cccn1)C(=O)N1CCCN(c2cccnn2)CC1 70037001 VVOUNARIENIWPT-AWEZNQCLSA-N 314.393 1.048 0 40 DDAB O[C@@H]1NN(c2ccccc2)[C@@H](O)/C1=C\c1ccc2c(c1)OCO2 4712484 KHEUSHUDNRYPMG-LXLFLEKNSA-N 312.325 1.460 0 40 DDAB O=C(CCOc1ccccc1Cl)NCCN1CCOCC1 46121257 ZOFWYQULKLOLLV-UHFFFAOYSA-N 312.797 1.557 0 40 DDAB CCNC(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O 2625777 OLPZMKRRCCMXQD-HNNXBMFYSA-N 323.780 1.633 0 40 DDAB Cc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 69348993 NHGBCORNJCDTGU-CQSZACIVSA-N 301.390 1.768 0 40 DDAB O=C(CSc1nnnn1C1CC1)N1CCc2ccccc2C1 8324914 RLJLMKWVLCHKJM-UHFFFAOYSA-N 315.402 1.685 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cnccn2)c1 32988034 JFWMWRYZEIKZQM-UHFFFAOYSA-N 311.750 1.786 0 40 DDAB Cc1cnn(C[C@@H](C)NCc2cccc(OCC(N)=O)c2)c1 69632775 CJLDKMKUAYRWNA-CYBMUJFWSA-N 302.378 1.234 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 52603640 XZKZHFGWFNYLSY-OAHLLOKOSA-N 324.446 1.849 0 40 DDAB Cc1noc(C)c1COC(=O)[C@@H](CO)NC(=O)c1ccccc1 54707403 UQOISOKWTZUIAC-CQSZACIVSA-N 318.329 1.126 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H]1COc2ccccc2O1 42308962 YHTPJSNJTHRCDI-OLZOCXBDSA-N 316.361 1.411 0 40 DDAB COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 23017352 LZBNPXWVZUBHCA-RYUDHWBXSA-N 310.419 1.751 0 40 DDAB CCN(CC)S(=O)(=O)NCc1cnn(-c2ccccc2)c1 23437445 YJHHXRXRPXIRTH-UHFFFAOYSA-N 308.407 1.549 0 40 DDAB Cc1cc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)n(C)n1 47498912 OKJWHCFYCWAETE-UHFFFAOYSA-N 322.390 1.454 0 40 DDAB CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 37507129 RJEQTGMMXXXANP-LLVKDONJSA-N 311.179 1.800 0 40 DDAB COCCN1CC2(CCN(C(=O)c3cnoc3C)CC2)CC1=O 108530544 KAYRVFPSBCNSNC-UHFFFAOYSA-N 321.377 1.084 0 40 DDAB Cc1nc(CN2CCN(C(=O)[C@H](C)n3cccn3)CC2)cs1 42749593 XPDPMTONNTYTTO-LBPRGKRZSA-N 319.434 1.553 0 40 DDAB CCO/C=C/[C@](O)(CNC(=O)c1cccnc1)C(F)(F)F 3188242 GPNRMOUBTALYQZ-PZBABLGHSA-N 304.268 1.655 0 40 DDAB O=C1NC[C@@H](COC(=O)c2c3c(nc4ccccc24)CCC3)O1 24752965 MVVFBIHAEAQAPQ-JTQLQIEISA-N 312.325 1.989 0 40 DDAB Cc1cccc(CN2CC[C@@H]3[C@H]2CCN3C(=O)NC2CC2)n1 107200611 SXGIPQLTYGGMLT-HZPDHXFCSA-N 300.406 1.911 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O 1328184 KTVZAZRPWJLHID-GFCCVEGCSA-N 320.352 1.769 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCNc2ncc(S(N)(=O)=O)s2)C1 69487105 BMEIHNOIVKNJLX-AOOOYVTPSA-N 318.468 1.180 0 40 DDAB CCOCCN1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1CC 106786710 OMUHSNSZBQXLFE-CVEARBPZSA-N 311.470 1.430 0 40 DDAB Cn1cc(NC(=O)CN2C(=O)CSc3ccccc32)cn1 25306315 ZEZYZQUMSNUWGL-UHFFFAOYSA-N 302.359 1.498 0 40 DDAB O=C(NCc1ccccc1CN1CCOCC1)Nc1cn[nH]c1 43862785 HNCKJNKMOFNGRL-UHFFFAOYSA-N 315.377 1.564 0 40 DDAB CCN(CC)c1ccc(CNC(=O)CCn2cccn2)cn1 69441818 BFJVMQYHLWHZOZ-UHFFFAOYSA-N 301.394 1.831 0 40 DDAB CCCCCCOC(=O)[C@H](CC)Sc1n[nH]c(=O)[nH]c1=O 1747410 BEYBDSIHBGJQNB-VIFPVBQESA-N 315.395 1.452 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(N)=O 26748554 SGWGLDVMHXVNDL-UHFFFAOYSA-N 314.407 1.187 0 40 DDAB Cn1c(CO)nnc1SCc1ccn(-c2ccccc2)n1 89741432 XNVNKCPZRXALEB-UHFFFAOYSA-N 301.375 1.785 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)cc1 44890046 HAEHXLLBHFAMOH-ZDUSSCGKSA-N 310.419 1.304 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 27793822 UPXRHPYHCRZMIK-JQWIXIFHSA-N 315.366 1.286 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CCC2 44917636 KORRFAJGCHVZAO-GFCCVEGCSA-N 305.403 1.739 0 40 DDAB CN(C)S(=O)(=O)N1CCN([C@H]2CCCc3ccccc32)CC1 44977280 VARPCCFDRSTORF-INIZCTEOSA-N 323.462 1.488 0 40 DDAB Cc1occc1-c1nnc(SCCC(=O)N2CCOCC2)o1 2202946 TYTJDTXFJWYWJB-UHFFFAOYSA-N 323.374 1.979 0 40 DDAB C/C=C/Cn1c(S[C@@H](C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C 12647457 HSVLVBJYUMCCTL-CYNONHLPSA-N 322.390 1.069 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(-n2cccn2)nc1 48135178 CPWSLOODPNLDHR-UHFFFAOYSA-N 311.349 1.665 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)CC1CCCC1 3398519 PUZLCMNHRAIVGQ-UHFFFAOYSA-N 310.375 1.909 0 40 DDAB COc1cccc(C(=O)OCC(=O)NC2CCCC2)c1OC 3385491 PIWLMWOLQGQODZ-UHFFFAOYSA-N 307.346 1.919 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC[C@H]2c2ccsc2)n1 48366266 HGOKMIYRBMBZKY-NSHDSACASA-N 304.423 1.918 0 40 DDAB COCCN1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 48301252 BSFPZZZRNFEKCA-UHFFFAOYSA-N 302.378 1.357 0 40 DDAB COc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1 3478465 GSMIZLBEEQYKIK-UHFFFAOYSA-N 305.363 1.042 0 40 DDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 12925076 QNAWCRIEIGGBJC-UHFFFAOYSA-N 315.285 1.553 0 40 DDAB CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccccc1 13002451 FXHQUVYRNGXJDA-MRXNPFEDSA-N 324.446 1.202 0 40 DDAB COc1cccc(N2C[C@@H](C(=O)N3CCSCC3)CC2=O)c1 49213826 VVNNIWZLMRKQCU-LBPRGKRZSA-N 320.414 1.624 0 40 DDAB Cc1nc2cc3c(cc2n1CC(=O)NCC(C)C)OCCO3 64794965 ZRXKHJOAMOTGGP-UHFFFAOYSA-N 303.362 1.888 0 40 DDAB CCCCNC(=O)[C@H](C)NC(=O)N1CC(=O)Nc2ccccc21 9184214 UIQKQTGXHDVUPX-NSHDSACASA-N 318.377 1.460 0 40 DDAB COc1ccc(OC)c(C(=O)OCC(=O)NC(=O)NC(C)C)c1 5216758 LPXNGZXBWLIONM-UHFFFAOYSA-N 324.333 1.095 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@H]1CCOC1 65472897 FRKOHGPAGPJTLC-WMLDXEAASA-N 316.401 1.675 0 40 DDAB N=C1NC(=O)[C@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)S1 4575060 CNJOTGCNGXLYFM-YFKPBYRVSA-N 321.255 1.738 0 40 DDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)C1=Cc2ccccc2CC1 14228443 PZRYALICYNPOHR-GFCCVEGCSA-N 322.430 1.808 0 40 DDAB CC1=NN(C(=O)[C@@H](C)n2cc(C)cn2)[C@](O)(C(F)(F)F)C1 6790147 WPQHLLQKJOIRNI-MWLCHTKSSA-N 304.272 1.612 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1 6864120 FTDLZZRRCJRQAA-UHFFFAOYSA-N 304.371 1.193 0 40 DDAB in-vivo C[C@H](CC1CCOCC1)N[C@H]1CCN(c2cnn(C)c2)C1=O 90017489 XXOXSJUMSGMBNH-DOMZBBRYSA-N 306.410 1.320 0 40 DDAB C[C@@H](NC(=O)Cn1nnc(-c2cccc(F)c2)n1)c1ccco1 7333891 ULHARZXZCHUUFH-SNVBAGLBSA-N 315.308 1.950 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(OC(F)F)c(OC)c1 7644351 LYOOUTQEZBTLKL-QMMMGPOBSA-N 316.304 1.551 0 40 DDAB CS(=O)(=O)c1ccc(NC2CCCC2)c(S(C)(=O)=O)c1 16311027 BGRMICBOJWMDMM-UHFFFAOYSA-N 317.432 1.848 0 40 DDAB COCc1cccc(C(=O)NCc2nc(C(=O)O)cs2)c1 90932407 OKSIZDBEZOBSAV-UHFFFAOYSA-N 306.343 1.918 0 40 DDAB CC(C)NC(=O)CN(C)C(=O)CSc1nc2ccccc2[nH]1 9467355 FAAHPWDPZDBOPS-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)nc1 89885016 ZCSABGBPVANEJV-CYBMUJFWSA-N 313.361 1.072 0 40 DDAB COc1cccc(-c2noc(CN3C(=O)NC(C)(C)C3=O)n2)c1 9417438 IPJJWOXMQYFGTI-UHFFFAOYSA-N 316.317 1.576 0 40 DDAB CSc1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc1 9501242 SAMQSSVBLAUAGF-ZDUSSCGKSA-N 307.419 1.687 0 40 DDAB C[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC(C)(C)O1 71831199 HQJTYXJMTHVDEE-LBPRGKRZSA-N 315.377 1.231 0 40 DDAB C1CCCN(C[C@H]2CCCN(CCN3CCOCC3)C2)CC1 71912119 FQMISIGXRNHACQ-GOSISDBHSA-N 309.498 1.907 0 40 DDAB COC(=O)[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)C(C)(C)C 71916096 DMRSRNVSQBJKRA-CYBMUJFWSA-N 320.345 1.298 0 40 DDAB Cc1nccn1C[C@@H](C)CNC(=O)Nc1ccc(=O)n(C)c1 96999907 IFHPYNZVTGYFPC-NSHDSACASA-N 303.366 1.348 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(N2CCCC2)nn1 72232613 BEQNMDWDKNRJNF-LBPRGKRZSA-N 312.377 1.018 0 40 DDAB CC(C)c1nc(N[C@H]2CCCCC[C@H]2C(N)=O)nc(N(C)C)n1 97032344 WSXJDRIDDMXASR-NEPJUHHUSA-N 320.441 1.907 0 40 DDAB Cc1cccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)n1 97142793 YDQWVTYIAKUDHK-OAHLLOKOSA-N 319.453 1.784 0 40 DDAB Cc1cc(C)c(C(=O)OCCCn2ccccc2=O)c(=O)[nH]1 97113008 VTLGVGIVYSPDHA-UHFFFAOYSA-N 302.330 1.401 0 40 DDAB O=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCc2cnccc21 97163987 GXMIRIFEVIRKEP-AWEZNQCLSA-N 311.341 1.869 0 40 DDAB CCN1CCC(NC(=O)CNc2cccc(C(=O)OC)c2)CC1 72314849 SGRNGMZSDXBKBN-UHFFFAOYSA-N 319.405 1.486 0 40 DDAB CC(C)n1cnc([C@@H]2CNC[C@]23CCN(CC2CC2)C3=O)c1 306136417 PSSZMIVMRVVOBT-WMLDXEAASA-N 302.422 1.780 0 40 DDAB CC(C)CCO[C@H](C)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76052464 QKWGIICDHFUHJE-OAGGEKHMSA-N 312.454 1.617 0 40 DDAB CC[C@@](C)(CC(=O)O)NC(=O)c1cnn(-c2ccccc2)n1 95424875 RONCOGBMCXFVDC-HNNXBMFYSA-N 302.334 1.641 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95432787 XTINIKROTBJOIB-GXFFZTMASA-N 305.403 1.759 0 40 DDAB Cc1cccc(O[C@@H](C)CNC(=O)C(=O)Nc2cccnc2)c1 76540161 PCRLDFRLOADIKM-ZDUSSCGKSA-N 313.357 1.912 0 40 DDAB CCc1ccccc1CNC(=O)NC[C@@H]1CN(C)CCN1C 77575135 BMOHFNPJDCVIJJ-MRXNPFEDSA-N 304.438 1.294 0 40 DDAB COC[C@H](O)CNC(=O)c1nn(-c2ccccc2Cl)cc1C 95980950 AYOLNBSGIIQGTI-LLVKDONJSA-N 323.780 1.571 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(O)cc2F)C[C@@H]1N1CCOCC1 95993030 JWSHYCGFYZBTPR-NHYWBVRUSA-N 308.353 1.324 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 95970716 IXRRAWLKAZQTPM-CYBMUJFWSA-N 311.765 1.975 0 40 DDAB Cc1nc(NC(=O)[C@@H]2COCCO2)ccc1Br 74240497 JLQYLDYFASJEHH-VIFPVBQESA-N 301.140 1.506 0 40 DDAB Cc1n[nH]c(C)c1CNS(=O)(=O)c1ccc2c(c1)CCC2 74849883 FPIGMECTDWOFSS-UHFFFAOYSA-N 305.403 1.994 0 40 DDAB Cc1nc(C)c(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)s1 79004368 NBHVEPAWQVMMDE-SNVBAGLBSA-N 308.407 1.322 0 40 DDAB O=C(CN1CC[C@H](Oc2ccccc2)C1)NC[C@@H]1CCCO1 79355223 HZIVKCOKAPTZCF-HOTGVXAUSA-N 304.390 1.435 0 40 DDAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc2nnnn2c1 79475928 CUKLLHHAAWAVGV-UHFFFAOYSA-N 306.289 1.162 0 40 DDAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCCO 20738272 DBEJNQOYNPHDOE-ZDUSSCGKSA-N 308.403 1.821 0 40 DDAB CCCN1C(=O)N/C(=C/c2cc3c(cc2OC)OCO3)C1=O 409243947 ZLVPNVJAQHDLKA-BJMVGYQFSA-N 304.302 1.727 0 40 DDAB Cc1ccc(NC(=O)/C=C\C(=O)O)c(NC(=O)/C=C\C(=O)O)c1 31716728 WKNZCGAJBXKEIH-PEPZGXQESA-N 318.285 1.154 0 40 DDAB CCc1cccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)n1 514994036 BJGDTCHBWIMSDF-INWMFGNUSA-N 317.389 1.200 0 40 DDAB COC[C@@]1(C(=O)O)CCN(c2nc(C)cc(C(F)(F)F)n2)C1 520412263 QYGULMCILLKFKN-GFCCVEGCSA-N 319.283 1.731 0 40 DDAB Cc1ccccc1[C@H](O)CNC(=O)[C@H](C(C)C)N1CCCC1=O 79028463 VANIFURUGRECGP-WBVHZDCISA-N 318.417 1.792 0 40 DDAB Cc1ccc2c(NC(=O)CSc3nnnn3C)cccc2n1 38489107 MXXYNNMQISXOKH-UHFFFAOYSA-N 314.374 1.798 0 40 DDAB CC(C)CNC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O 36594789 AKFWGHKBBIDOPQ-CYBMUJFWSA-N 303.362 1.939 0 40 DDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)C(C)(C)C)cc2)[C@H]1CO 72321461 PILPZFVRUSLCDH-UKRRQHHQSA-N 320.389 1.562 0 40 DDAB biogenic,in-vitro OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 223603983 BJCOPMOYNQYJTQ-UONOGXRCSA-N 302.403 1.765 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@H]1[C@H]2CCc3ccccc3[C@H]21 195546421 TYSBDMDLJCGTSG-RVKKMQEKSA-N 316.401 1.183 0 40 DDAB O=C(NC[C@@H]1CNCCCO1)N1CCc2cc(Cl)ccc2C1 333857549 RHRPOCAVLIZWFP-HNNXBMFYSA-N 323.824 1.786 0 40 DDAB Cc1ccc(N2CC[C@@H](C(=O)N[C@]3(C)CCOC3)C2=O)cc1 96487278 DRZIMPANRWPGNP-WMLDXEAASA-N 302.374 1.643 0 40 DDAB O=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(c3nncs3)C2)C1 96071641 LDJCZBBKUUCUDK-DOMZBBRYSA-N 322.434 1.394 0 40 DDAB C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CC(C)(C)O1 142097140 CJUMLHPJXXMHPT-VIFPVBQESA-N 309.341 1.956 0 40 DDAB COc1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 96192368 PQOJWBFZAAJLSG-UHFFFAOYSA-N 302.334 1.187 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccccn1)C2 96061787 LDLRQXKYDQHJFM-UHFFFAOYSA-N 313.405 1.774 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(C3CCCC3)C[C@H]21)N1CCCO1 96043399 LGQLJFGZPPQKGU-OWCLPIDISA-N 308.422 1.820 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1)N1CCCC1 96043196 WASVOHZWFRSDOT-IMJJTQAJSA-N 308.422 1.267 0 40 DDAB Cn1nnc2cc(C(=O)O[C@@H]3[C@H]4CCO[C@H]4C3(C)C)ccc21 248032591 IKLANMQESYWBLQ-ZLKJLUDKSA-N 301.346 1.939 0 40 DDAB O=C(NCC1CC1)[C@H]1CN(C2CCOCC2)Cc2cccn2C1 247501368 PYLLMDGMNCFTDO-OAHLLOKOSA-N 317.433 1.625 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccsc2)C[C@H]1O)c1ccccn1 257258595 KUSDAYJHLLPRRU-ZIAGYGMSSA-N 303.387 1.118 0 40 DDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)CCCn2cccn2)[C@H]1O 257252080 JTLSLPDCHXBSBG-IIAWOOMASA-N 309.410 1.440 0 40 DDAB Cc1cnc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)cn1 257208661 BNBSFKQWCZIUCD-AWEZNQCLSA-N 311.389 1.921 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2csc(C)n2)n1 257272487 NCOTULDIMKXWDZ-LBPRGKRZSA-N 306.391 1.626 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC 252513887 AOGFQQUSRAZWPE-NFAWXSAZSA-N 311.403 1.156 0 40 DDAB C[C@H](C(=O)O)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 263544245 FWVFEKGIMRLCQL-QWRKXWFKSA-N 324.764 1.449 0 40 DDAB O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccoc1 285547319 IFPCGSSRGBFPRV-AAEUAGOBSA-N 315.391 1.126 0 40 DDAB O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CCOC1 41372143 JHLCRPSKYDQLHQ-SNVBAGLBSA-N 307.375 1.883 0 40 DDAB CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccccn1)N1CCOCC1 298572979 FLVGMCCELPTGAH-HOCLYGCPSA-N 320.437 1.799 0 40 DDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccsc1 390830275 JXIPCHRVHRISOL-NSHDSACASA-N 314.374 1.195 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575402378 BVWOLPWLFDDGAH-GXTWGEPZSA-N 320.414 1.583 0 40 DDAB CCN(CC)CCNC(=O)c1c(N)cnn1CC(F)(F)F 685936348 RXFMSOCHBYHHOX-UHFFFAOYSA-N 307.320 1.099 0 40 DDAB c1cc2nncn2nc1N1CCC(c2nnc(C3CC3)o2)CC1 1330035908 FYTLFJGOXXQCMK-UHFFFAOYSA-N 311.349 1.769 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CC(=O)NCCCN2CCCCCC2=O)C1 51158392 YAUUHZPZSUQLIX-HZPDHXFCSA-N 323.481 1.873 0 40 DDAB NC(=O)Cn1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)cn1 53413993 NTVFULZYKFLKBD-UHFFFAOYSA-N 318.764 1.692 0 40 DDAB CC(C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(N)=O 57051200 YQLJLEBMIPIGTL-VIFPVBQESA-N 323.780 1.073 0 40 DDAB CCCCc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1 69392335 PNYSLKJCZJROKF-ZDUSSCGKSA-N 305.382 1.510 0 40 DDAB CNC(=O)C1CCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 69369137 BYPVYALVHJBYJP-CQSZACIVSA-N 317.389 1.678 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)no1 69562651 HAUZKXWQDLXGOJ-MRVPVSSYSA-N 302.290 1.857 0 40 DDAB Cc1nc(C(=O)N2CCC(Nc3cccnn3)CC2)cs1 71863449 SDEZYQOMGSVKDI-UHFFFAOYSA-N 303.391 1.958 0 40 DDAB Cc1nc(C(=O)N2CCN(c3nccs3)C(=O)C2)cs1 1565522429 PSSGDXYSQPHZJG-UHFFFAOYSA-N 308.388 1.397 0 40 DDAB Cc1cc(C(=O)N2CCN(c3nccs3)C(=O)C2)c(C)o1 1565522732 YLHXEUZFDZXAQQ-UHFFFAOYSA-N 305.359 1.842 0 40 DDAB CCOc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CC)c2=O)cc1 405163 DWQKSMPZQBLRLJ-UHFFFAOYSA-N 304.302 1.185 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H]2c2noc(C)n2)n(C)n1 75573167 SUVOHJFDYVRNQG-NSHDSACASA-N 304.354 1.196 0 40 DDAB O=C(OC[C@@H]1CCCO1)C1CCN(C(=O)N2CCCC2)CC1 89819053 UAJLQNGCHILYLC-AWEZNQCLSA-N 310.394 1.636 0 40 DDAB CC(C)(CC(=O)NCCN1C(=O)CCC1=O)c1ccccc1 78703043 LJBJYXNXZMGFGD-UHFFFAOYSA-N 302.374 1.620 0 40 DDAB CCOC(=O)CSc1nc2c(c(=O)n1CC)SCC2 4339373 LPOSEUXVVVVGCN-UHFFFAOYSA-N 300.405 1.567 0 40 DDAB C[C@H](O)CN[C@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5258073 PDSSVCSVMJQBQL-XHDPSFHLSA-N 316.357 1.592 0 40 DDAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CCCC3)ccc21 12146842 JIVFXBISQMVEIL-OAHLLOKOSA-N 310.419 1.138 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 12791496 MCHINBSAZPVGNH-HZMBPMFUSA-N 304.346 1.074 0 40 DDAB O=C(c1ccccc1)N1CCC(NC(=S)NC2CC2)CC1 16705148 CHXCRYTXIWNQKU-UHFFFAOYSA-N 303.431 1.918 0 40 DDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC 2577489 MUICEMIMMHJMGE-QMMMGPOBSA-N 311.271 1.886 0 40 DDAB O=C(NCCn1ccc2ccoc2c1=O)NC[C@@H]1CCCO1 253473423 UVTWPJYAAWDMAO-LBPRGKRZSA-N 305.334 1.073 0 40 DDAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)[C@H]1CCOC1 1888854013 SHJGBLRMXGHMFN-DZGCQCFKSA-N 301.346 1.058 0 40 DDAB COc1cnc(OC2CCN(c3nc(C)ns3)CC2)nc1 1889095525 UBYQJAKTHFJPTL-UHFFFAOYSA-N 307.379 1.693 0 40 DDAB COc1cccc(CCNC(=O)c2cc3c(nn2)CCOC3)c1 1889125139 MXZXHVRUGUDOHZ-UHFFFAOYSA-N 313.357 1.530 0 40 DDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(O)CC1 15307064 FCHQTVQLDAHYSE-LBPRGKRZSA-N 317.389 1.207 0 40 DDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)nc1 238810982 AHNIBFMJQOLNQW-ZDUSSCGKSA-N 319.386 1.627 0 40 DDAB O=C(NCCn1ccc(-c2cnccn2)n1)c1cc(C2CC2)on1 244986299 JPAGWSFSDQTIBU-UHFFFAOYSA-N 324.344 1.636 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@@]21C(=O)NC1CCC1 2056225419 VMDMXJBQBPYTSI-BZNIZROVSA-N 303.337 1.494 0 40 DDAB CNC(=O)C1=NO[C@@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 2056225818 CJDIOSHFWBTCLI-KRWDZBQOSA-N 317.389 1.552 0 40 DDAB COc1nn(C)cc1-c1nnc(SCc2ccccn2)n1C 12422582 HKORSOVNODUWNA-UHFFFAOYSA-N 316.390 1.912 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NC[C@H]1CCCO1 13806153 PKERDXVJKVETJI-CQSZACIVSA-N 313.357 1.206 0 40 DDAB COc1ccc(C(=O)NCc2nccnc2-c2cccnc2)cn1 575620707 UKZGKRUJBIZKGV-UHFFFAOYSA-N 321.340 1.872 0 40 DDAB COc1ncccc1C(=O)NCc1nccnc1-c1ccncc1 585150674 YJHAUERITKXRDM-UHFFFAOYSA-N 321.340 1.872 0 40 DDAB OCC1(CO)CO[C@@H](/C(Br)=C/c2ccccc2)N1 20508529 NYBQWBYMDVCFJA-DSDFTUOUSA-N 314.179 1.092 0 40 DDAB CNC(=O)NC(=O)CCN1CCC[C@@H]1COc1ccccc1 96405950 SCVQBTNCNXEWIN-CYBMUJFWSA-N 305.378 1.376 0 40 DDAB O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NCC1CC1 40106303 SBXYOPWQXAYEMU-UHFFFAOYSA-N 301.795 1.781 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cnn(C)c2)o1 40528040 JDQPMNHOALOVJM-ZWNOBZJWSA-N 309.391 1.957 0 40 DDAB C[C@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 17327343 VSQHPPAWBHJGBQ-OKILXGFUSA-N 316.401 1.992 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N1CCCc2cc(OC)ccc2C1 69390654 BJHQCLWZOBDCMI-NSHDSACASA-N 305.378 1.288 0 40 DDAB Cc1[nH]c2ccc(C(=O)NCCN3CCN(C)CC3)cc2c1C 20583757 ZMFYPAFBZLVVJX-UHFFFAOYSA-N 314.433 1.762 0 40 DDAB Cc1ccc(NC(=O)c2c(N)oc(=O)c3nnsc23)cc1 1417043 WYFQSKVCGZMSRI-UHFFFAOYSA-N 302.315 1.787 0 40 DDAB CCOC(=O)Cc1c[nH]c2ccc(N(CCO)CCO)cc12 1695691 GCMQNVDOHOMSFP-UHFFFAOYSA-N 306.362 1.065 0 40 DDAB COC(=O)CNC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O 32123941 RNTGUHMITCHHFW-AWEZNQCLSA-N 318.373 1.346 0 40 DDAB biogenic COCCn1nc(C(=O)Nc2ccc(C)c(C)c2)ccc1=O 29485212 PIDZCQIPYGZPJZ-UHFFFAOYSA-N 301.346 1.759 0 40 DDAB CS(=O)(=O)n1c([C@@H](O)c2ccccc2)nc2ccccc21 6173863 SJCNHXBXBIVTGE-AWEZNQCLSA-N 302.355 1.926 0 40 DDAB COC[C@H](C)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 69665916 SRKRXWJTWHLCLD-UONOGXRCSA-N 323.412 1.487 0 40 DDAB Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(Cl)o3)C2=O)n1 89756669 ABWFUDNTVOXKAO-SECBINFHSA-N 322.752 1.592 0 40 DDAB CCCCN(C)S(=O)(=O)NCCc1cn2ccccc2n1 32825690 WVWCGCBUHAGGME-UHFFFAOYSA-N 310.423 1.443 0 40 DDAB Cc1ccc(/C=C/C(=O)N(C)CC(=O)NCc2ccco2)o1 33028498 OKTIBFHGMLEUAT-BQYQJAHWSA-N 302.330 1.969 0 40 DDAB Cn1nc(C(=O)NN2CCOCC2)c(Cl)c1C(F)(F)F 2770818 RFDKLVKIKFUHCQ-UHFFFAOYSA-N 312.679 1.069 0 40 DDAB O=C(NCCCn1ccnc1)c1cncc(Br)c1 42200311 FRTRPVAFHOXVDX-UHFFFAOYSA-N 309.167 1.861 0 40 DDAB CCc1cc(N[C@@H](C)C(=O)N2CCCCC2)n2ncnc2n1 54061096 RHWRBWOZDJCBDP-NSHDSACASA-N 302.382 1.500 0 40 DDAB Cc1cnc2c(S(=O)(=O)N[C@H](C)CC(=O)O)cccc2c1 37417958 XSLXYUMNOHOFBW-SNVBAGLBSA-N 308.359 1.685 0 40 DDAB O=C([C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC1 110592359 IMIQHTVKCZTZBJ-KBUPBQIOSA-N 306.406 1.557 0 40 DDAB NC(=O)NCc1ccc(C(=O)NCCc2ccccc2F)cc1 24333706 BMXLIOSVPQAIKT-UHFFFAOYSA-N 315.348 1.967 0 40 DDAB O=C(C1CC1)N1CCN(Cc2nc(-c3ccco3)no2)CC1 24597744 QXYZWQDNOFSXET-UHFFFAOYSA-N 302.334 1.384 0 40 DDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)C 24611293 IDPZMWPBVZUALE-UHFFFAOYSA-N 312.435 1.787 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 24776041 QCHHBZYKIYJOCH-UHFFFAOYSA-N 318.345 1.072 0 40 DDAB O=C1CS(=O)(=O)CC(=O)N1Cc1ccc(Cl)cc1Cl 1391652 DRSXSZYRRJRDIG-UHFFFAOYSA-N 322.169 1.277 0 40 DDAB CN(CCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1ccccc1 107146354 AODCVCJQWJTNJT-YYIAUSFCSA-N 315.417 1.942 0 40 DDAB CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCCN(C)C1CC1 69739303 NTJWNVSEVJFXMC-ZFWWWQNUSA-N 324.469 1.417 0 40 DDAB COc1ccccc1CCNC(=O)CNC(=O)c1cccs1 17845760 BVCOBZRODJKWQO-UHFFFAOYSA-N 318.398 1.845 0 40 DDAB COC(=O)C1CCN(C(=O)CCn2ncc3ccccc32)CC1 57279556 DZGJUCSLECYNMP-UHFFFAOYSA-N 315.373 1.838 0 40 DDAB COC(=O)CCCNC(=O)[C@H]1CCCN(c2ccccn2)C1 47815880 VVHFUDNODCAKHU-ZDUSSCGKSA-N 305.378 1.367 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)[C@@H]1CN 70177251 MSRYNILLOOGWCS-SMDDNHRTSA-N 300.399 1.715 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@H]3CCCO3)ccc21 27395084 WBUUFOHFEVZFRF-CYBMUJFWSA-N 315.373 1.634 0 40 DDAB CC(=O)N1CCCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 27564941 PAJHPNKGTHTXDO-UHFFFAOYSA-N 314.389 1.057 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(c2nccs2)CC1 44858091 FZCKQOMVEOAYRC-UHFFFAOYSA-N 303.391 1.706 0 40 DDAB Cc1ccc2c(CC(=O)N[C@H]3CCCNC3=O)coc2c1C 58225941 OEILMOMUTKGRLZ-AWEZNQCLSA-N 300.358 1.987 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)N1CCc2sccc2C1 44969834 SQAQHOPMQNAOTG-GFCCVEGCSA-N 309.435 1.537 0 40 DDAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cnccn2)cc1 3262202 DTRIBZIANQSRMC-UHFFFAOYSA-N 314.301 1.231 0 40 DDAB CC(C)N1C[C@H](C(=O)NCCC(=O)NC2CCCCC2)CC1=O 58393436 GSMNUPQZKPILBX-CYBMUJFWSA-N 323.437 1.199 0 40 DDAB C[C@H](C(N)=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58315684 PZORKAFMAAMXIL-PWSUYJOCSA-N 318.352 1.929 0 40 DDAB N[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 36297130 PZAJKGAPBZKUPS-SECBINFHSA-N 324.324 1.697 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 28016256 VPSYIKOBFPEPSY-CQSZACIVSA-N 307.394 1.304 0 40 DDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3CCCO3)cc21 58738097 OBURZEXFNHHZJM-CQSZACIVSA-N 319.361 1.274 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cn1nc(-c2ccccc2)oc1=O 45447366 JDVCPULNWPWKQS-NWDGAFQWSA-N 317.345 1.139 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCOC1)c1ccccc1 48246409 IFOHPVATAXRSLT-HIFRSBDPSA-N 314.389 1.845 0 40 DDAB CC(=O)N1CCN(C(=O)C(=O)c2ccc(C(C)(C)C)cc2)CC1 48313480 IICRGVHCIKSMTM-UHFFFAOYSA-N 316.401 1.858 0 40 DDAB O=C(NCC(=O)N1CCCc2ccccc21)c1ccc[nH]c1=O 48301812 JKIKFQIPRSNWSD-UHFFFAOYSA-N 311.341 1.084 0 40 DDAB CN(C)c1cccc(C(=O)N2CCC(C3OCCO3)CC2)c1 69420449 NLBRHSAAWNRXJN-UHFFFAOYSA-N 304.390 1.978 0 40 DDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccn(C)n1 28235900 APVXMOPRSRTTGF-UHFFFAOYSA-N 315.299 1.764 0 40 DDAB O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cn[nH]n1 69585560 JMIKAVAVWKLXEU-UHFFFAOYSA-N 319.218 1.731 0 40 DDAB COc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1Cl 5015985 ONDVMAMEYFVYLK-VIFPVBQESA-N 313.766 1.844 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccccc2Cl)nn1 5026065 UPLJOGUIFSEXPZ-UHFFFAOYSA-N 308.725 1.747 0 40 DDAB COc1cccc(S(=O)(=O)N2CCN(CC(C)C)CC2)c1 39974999 KYTWSLJBDBFJRV-UHFFFAOYSA-N 312.435 1.658 0 40 DDAB COc1cc(CNCCNc2ncccn2)cc2c1OCCO2 65459195 GVVRLZVSKRIXCT-UHFFFAOYSA-N 316.361 1.458 0 40 DDAB COc1cc(CNC(=O)c2ccoc2C)ccc1OCC(N)=O 65467465 DRGUPQHVKIENIB-UHFFFAOYSA-N 318.329 1.391 0 40 DDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CCOC1 65472895 FRKOHGPAGPJTLC-YOEHRIQHSA-N 316.401 1.675 0 40 DDAB C[C@H]1CN(CCNC(=O)c2cc(-c3ccco3)[nH]n2)C[C@H](C)O1 65405980 IPNMVZJRXXZVIH-RYUDHWBXSA-N 318.377 1.509 0 40 DDAB Cc1cc(C(=O)NCCN2CCOCC2)c(C)n1CC1CC1 65577315 UZGZWFMEKJIMSN-UHFFFAOYSA-N 305.422 1.577 0 40 DDAB COC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 65542219 AMKLAAOKAHEXAV-MELADBBJSA-N 310.394 1.635 0 40 DDAB CCN(CC)C(=O)CSCC(=O)Nc1ccc2c(c1)OCO2 6543422 SXTIFERAYFMQQL-UHFFFAOYSA-N 324.402 1.955 0 40 DDAB Cc1cc(C(=O)OCC(=O)N2CCc3sccc3C2)on1 14304226 IHIVCWLVZKJXFT-UHFFFAOYSA-N 306.343 1.786 0 40 DDAB NC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 5885671 WBASXFZOLUWKCF-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(N)=O)CC2=O)c1C 5933167 MCPFEFWBFIDJPO-RYUDHWBXSA-N 304.346 1.073 0 40 DDAB Cc1cc(-c2nnc(COC(=O)C3=COCCO3)o2)c(C)o1 7156862 YIOYBDAUTLPZER-UHFFFAOYSA-N 306.274 1.878 0 40 DDAB COc1ccccc1CNC(=O)c1ccccc1-n1cnnn1 7305850 FGECQFUKGFKNMD-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(C(N)=O)c2)[C@H]1C(=O)O 71284285 NWAQMSULAOFQPH-ZJUUUORDSA-N 310.737 1.734 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc(C(=O)O)c1 96006955 PMUGFEHSYQXACL-UHFFFAOYSA-N 323.312 1.677 0 40 DDAB CCN(CC)CCCNC[C@@H](O)COc1ccc(C(C)=O)cc1 23623642 CIVWISVCYCIWMI-QGZVFWFLSA-N 322.449 1.950 0 40 DDAB O=C(Nc1ncccn1)C1CCN([C@H]2CCCC[C@H]2O)CC1 96485534 DVAAAVGSZRURDL-UONOGXRCSA-N 304.394 1.431 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 71871161 NQUBXCQGXQMQDN-CYBMUJFWSA-N 322.836 1.897 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)CCOc1ccc(C)cc1OC 71837403 HDHUISBGQBUPDY-GFCCVEGCSA-N 309.362 1.840 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1 71865904 XNOLCQPDUVDIJS-CHWSQXEVSA-N 313.423 1.006 0 40 DDAB COc1cccc(C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c1 83877320 VVHWDFROBJGKAC-HUUCEWRRSA-N 316.401 1.707 0 40 DDAB Cc1cccc2nc(C(=O)NCc3nnc4ccccn34)cn12 9671902 SPEZSVZWOHWFOH-UHFFFAOYSA-N 306.329 1.615 0 40 DDAB C[C@@](O)(Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 97002609 XNPAPUDHJYITPJ-OAHLLOKOSA-N 302.355 1.659 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3noc(C)n3)C2)n1 75582534 WDCKJCKHJQWWQW-CQSZACIVSA-N 317.393 1.988 0 40 DDAB CCn1nnc2cc(C(=O)N[C@@H]3CCc4nc(C)cn4C3)ccc21 97198979 FSLLTAMSXJFWSD-CYBMUJFWSA-N 324.388 1.701 0 40 DDAB c1ccc(-c2nnc3sc(CCN4CCOCC4)nn23)cc1 72333589 PUGVCMWSDIZSLK-UHFFFAOYSA-N 315.402 1.728 0 40 DDAB CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(F)nc2)n1 72500734 YQZXHJWPDZBYNZ-VIFPVBQESA-N 308.313 1.973 0 40 DDAB CNC(=O)NC(=O)CN1CCCN(C)c2ccc(Cl)cc21 76040465 HZDCKWMSIOKQSL-UHFFFAOYSA-N 310.785 1.442 0 40 DDAB O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1C(=O)O 95399987 NAAMMCVMDYTXQH-RYUDHWBXSA-N 306.318 1.897 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)c2cccc(C)c2)C1 95417827 MQIUUDYNLIUBNA-PEBXRYMYSA-N 322.430 1.230 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402712 WDTYFCOKRACBNH-SNVBAGLBSA-N 318.402 1.898 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)NC1(c2ccccc2F)CC1 77536216 LGMGMZGRQLSFDF-SNVBAGLBSA-N 312.366 1.301 0 40 DDAB CC(=O)CCN(C)C(=O)CCc1c(C)nc2ncnn2c1C 95451282 DVHRLLMIDSJZEV-UHFFFAOYSA-N 303.366 1.111 0 40 DDAB CN(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 95992106 QBSBJECMNFGOHD-GHMZBOCLSA-N 311.332 1.456 0 40 DDAB C[C@H](CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1)[S@](C)=O 95988930 FCOCIKMUQYIQQK-QOAZOABKSA-N 324.446 1.407 0 40 DDAB COc1cccc(-c2nnn(Cc3nsc(N(C)C)n3)n2)c1 89326893 GIPLGNCASBWPPP-UHFFFAOYSA-N 317.378 1.315 0 40 DDAB C[C@H](c1ncc(-c2ccccc2)o1)N1CCN(C(=O)CO)CC1 89422926 WZAKLWVAGLYRDE-CYBMUJFWSA-N 315.373 1.539 0 40 DDAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@@H](O)Cc1ccccc1 89522766 SIFZSKGKUHIDMH-LRDDRELGSA-N 315.417 1.925 0 40 DDAB Cc1nc(COC(=O)c2cn(Cc3cccnc3)nn2)oc1C 89558549 PFKJITKCJMGFRR-UHFFFAOYSA-N 313.317 1.683 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2F)c(=O)[nH]1 75123893 OQQSCTWBDLZRNF-CYBMUJFWSA-N 308.284 1.425 0 40 DDAB Cc1cccc2nc(CNS(=O)(=O)c3c[nH]cn3)n(C)c12 89689011 JEEJHLRGLYCCMM-UHFFFAOYSA-N 305.363 1.083 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@]2(CC=CCC2)C1 79349237 RBVRDRRLGZONMJ-QGZVFWFLSA-N 307.438 1.851 0 40 DDAB CCOC(=O)CNCC1(NC(=O)OC(C)(C)C)CCCC1 73633261 OOKVOLIXEIQIGR-UHFFFAOYSA-N 300.399 1.977 0 40 DDAB Cc1nnc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)s1 72238911 HYQZTMKBXFXNMY-UHFFFAOYSA-N 322.375 1.228 0 40 DDAB O=S(=O)(O)c1[nH]c2ccccc2[n+]1CCc1ccccc1 6192934 HSHCBOFBRHIKDO-UHFFFAOYSA-O 303.363 1.945 0 40 DDAB CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1 36693819 FPWRJNYLSPMDOL-UHFFFAOYSA-N 321.358 1.879 0 40 DDAB Cn1nccc1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 195556318 SPDZUGZNRDBKTF-HCKVZZMMSA-N 323.418 1.401 0 40 DDAB Cn1cc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)cn1 96047947 MZLHXVMZWAHAGP-MRXNPFEDSA-N 304.438 1.639 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)c(C)o1 96184504 SSULZKOLNAJRNU-OLZOCXBDSA-N 312.391 1.145 0 40 DDAB O=C(c1ccco1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058657 ABHHJIXBLRYJQR-GFCCVEGCSA-N 313.357 1.815 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 96415632 SZTZGIGSAZCYJV-BPLDGKMQSA-N 324.446 1.452 0 40 DDAB COCCn1cc2c(n1)[C@H](CNCc1ccncc1)OCC2 96059704 KETNWPLHKFXKBZ-HNNXBMFYSA-N 302.378 1.328 0 40 DDAB COC(=O)[C@H]1CCCCN1CC(=O)NCc1ccccc1C 96455944 DCWWFDMVQDURSS-OAHLLOKOSA-N 304.390 1.639 0 40 DDAB CCc1ccc([C@H](COC)NS(=O)(=O)c2cccnc2)o1 96428288 LYOJZAAFMWTRML-ZDUSSCGKSA-N 310.375 1.903 0 40 DDAB Brc1cnc(N2CCC[C@@H](c3nc[nH]n3)C2)nc1 96452907 QRSXRHSUCQPVJC-MRVPVSSYSA-N 309.171 1.741 0 40 DDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C1CCC1)N1CCCC1 96041678 UEACRRVRZWPIHW-ZMSDIMECSA-N 308.422 1.410 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1c[nH]nn1 96423805 MFYDQYMOYWCAAL-JTQLQIEISA-N 305.769 1.857 0 40 DDAB O=C(c1cnccn1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238432 BBSKQCIRJZNLRE-GOSISDBHSA-N 322.368 1.746 0 40 DDAB CCOC[C@@H]1COCCC12CCN(C(=O)c1ccn(C)n1)CC2 96206294 NEVQGKVPPWKUPY-CQSZACIVSA-N 321.421 1.716 0 40 DDAB CCn1cc([C@H](C)NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C)n1 248004625 GWDKSYUZXOTWAF-CPSKLWFRSA-N 317.389 1.912 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257301182 RXIITGDWECWJJU-MRXNPFEDSA-N 318.417 1.919 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(Cc3ccncc3)CCN2C)c1 257204863 AWPPLFYAVFHVQS-GOSISDBHSA-N 324.428 1.930 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cnco1 257241399 HXYBVGGIDZSGRJ-GFCCVEGCSA-N 302.334 1.247 0 40 DDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(Cl)cc1 257241835 HZUVHYRXHOVJNR-HOCLYGCPSA-N 324.808 1.894 0 40 DDAB N[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516452 SPGUCVKARSNSDL-ARFHVFGLSA-N 321.373 1.455 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 257207767 BJDGYUKXIARDBL-OWCLPIDISA-N 312.421 1.557 0 40 DDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 257302460 SCZVWIUNPWJEAP-AWEZNQCLSA-N 311.389 1.478 0 40 DDAB CCc1cc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)on1 257335666 YLIFHLDWUIIAFI-IIAWOOMASA-N 316.357 1.938 0 40 DDAB O=C(NCC[C@H](O)c1ccsc1)C(=O)NCc1ccco1 253407220 VTGHHRRVJZKSRH-LBPRGKRZSA-N 308.359 1.197 0 40 DDAB CN(Cc1ccc(C(=O)O)cc1)C(=O)CN1CCCCC1=O 620185439 RFFUVONWBXIRJN-UHFFFAOYSA-N 304.346 1.356 0 40 DDAB CC(C)[C@H](CNC(=O)N[C@H](C)c1ccccn1)N1CCOCC1 298572982 FLVGMCCELPTGAH-ZBFHGGJFSA-N 320.437 1.799 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCC2)C1 575404979 QMQPTPPXAARSDC-KWCYVHTRSA-N 302.378 1.045 0 40 DDAB CN(C)C(=O)CC[C@@]1(O)CCCN(CCOc2ccccc2)C1 585277044 JLWYNZYQVBESOV-SFHVURJKSA-N 320.433 1.761 0 40 DDAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585386680 HATHVFCSXUAHOY-VXGBXAGGSA-N 318.760 1.098 0 40 DDAB O=C(NCc1cnn(-c2ccc(F)cc2F)c1)[C@@H]1CCCO1 52057428 BALLZDISCRDSBL-AWEZNQCLSA-N 307.300 1.946 0 40 DDAB CCOc1cccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 66382769 RXAWXYMDJGKCRS-UHFFFAOYSA-N 316.361 1.622 0 40 DDAB CCOc1cc(NC(=O)NCCN2CCOCC2)ccc1C 67346998 CKYWPRMJKJCWBZ-UHFFFAOYSA-N 307.394 1.847 0 40 DDAB CCC1(N)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551494291 YDLKSBRDNDDXLF-HUUCEWRRSA-N 302.422 1.524 0 40 DDAB COCCS(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1 69739850 GTGANAXBVCVNNE-UHFFFAOYSA-N 323.374 1.093 0 40 DDAB C[C@H](OCC1CC1)C(=O)Nc1cccc(-n2cn[nH]c2=O)c1 95942028 VBUMXFKQJMCDLM-JTQLQIEISA-N 302.334 1.314 0 40 DDAB CN(c1nc2cc(Br)ccc2o1)[C@@H]1COC[C@H]1O 709325847 MHIPJYFBIRKTDJ-NXEZZACHSA-N 313.151 1.786 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC3)CC2)cc1 5824524 SSOBWGDZPPVUAI-UHFFFAOYSA-N 322.430 1.628 0 40 DDAB Cc1sc(-n2cccc2)nc1C(=O)N[C@H]1C=CS(=O)(=O)C1 11866088 MQKWIVWEWKBYPH-JTQLQIEISA-N 323.399 1.283 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)NC(C)(C)C)c(=O)c1n2C 12131822 PHBUYEPMRVDCLI-UHFFFAOYSA-N 316.361 1.704 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199388 PPPMKXZDWZZGRO-UHFFFAOYSA-N 310.375 1.274 0 40 DDAB CN1CCN(C(=O)Nc2c[nH]c3c(Cl)cccc3c2=O)CC1 13565976 NREPIRKNSGXOPL-UHFFFAOYSA-N 320.780 1.961 0 40 DDAB Cn1cc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 643913860 JRAOXQJKXQAKCU-KRWDZBQOSA-N 319.380 1.365 0 40 DDAB Cc1ccc(CNC(=O)NCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14049344 QPFBYKVGEBWHDL-OKILXGFUSA-N 319.405 1.430 0 40 DDAB O=C1CC2(CCN(C(=O)[C@@H]3CCc4cccc(O)c43)CC2)CN1 556432157 IDKDSNRJGBEJDB-CYBMUJFWSA-N 314.385 1.551 0 40 DDAB Cc1cc(C)n(CCC(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)n1 10572949 KEEQAOMSFPRBPK-OAHLLOKOSA-N 319.336 1.799 0 40 DDAB CSc1ncc(C)c(N2CCN(c3ncccn3)CC2)n1 1888853653 GCKCVGYXJJBVGW-UHFFFAOYSA-N 302.407 1.624 0 40 DDAB CSc1ncc(C)c(N2CCN(c3ccnc(C)n3)CC2)n1 1888854192 GYEOSXHWLIDYMU-UHFFFAOYSA-N 316.434 1.932 0 40 DDAB CCc1cnc(OC2CCN(S(=O)(=O)C3CC3)CC2)nc1 1776001988 XFPBDGJCKXPXFB-UHFFFAOYSA-N 311.407 1.374 0 40 DDAB Cc1noc2ncc(C(=O)N3CCC4(CC3)OCCO4)cc12 24998612 SNGWYDYBDWGBGE-UHFFFAOYSA-N 303.318 1.510 0 40 DDAB COc1ccc(CNC(=O)N2CC(Nc3ncccn3)C2)cc1 238836863 GXOFRYNQHFXNDA-UHFFFAOYSA-N 313.361 1.491 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)NC4CCC4)O[C@H]3C2)C1 1565548422 CPWAMTCICFOONP-VCSNZZLKSA-N 320.433 1.707 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)no1 44226087 ROTWEZXGKVOCFH-KOLCDFICSA-N 323.374 1.719 0 40 DDAB CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 40468642 GVDVKAWFMUYFRY-UHFFFAOYSA-N 323.418 1.011 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 40512927 AYNQNPHTDKYRNM-DZGCQCFKSA-N 317.389 1.068 0 40 DDAB CCC[C@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 16601618 PPYMGRWXBNMEIZ-NSHDSACASA-N 323.418 1.420 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H](C(=O)OCc2ccccc2)[C@@H](O)C1 1857794673 KBWRRUGYMQKSGW-KBPBESRZSA-N 321.373 1.958 0 40 DDAB Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)n(C)n1 11265229 UBWOVRQFDOWMLB-UHFFFAOYSA-N 321.410 1.561 0 40 DDAB CNC(=O)CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 413216 GNMTUJBEAULMAQ-JTQLQIEISA-N 322.390 1.555 0 40 DDAB CCCCOc1ccccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 101675111 WBVUOIXBEYYHID-LBPRGKRZSA-N 315.333 1.835 0 40 DDAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2)n1N 7779282 JSFSTHILZIEIIN-MRVPVSSYSA-N 309.370 1.409 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32747607 MQLCQLMDHZKYJY-SNVBAGLBSA-N 315.276 1.640 0 40 DDAB COCc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cl 8018235 FAGJOEFMBNSCQK-UHFFFAOYSA-N 305.721 1.807 0 40 DDAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 8476084 YNQOEBJTKDEOEZ-SNVBAGLBSA-N 314.407 1.522 0 40 DDAB O[C@H](CSc1nnnn1C[C@@H]1CCCO1)c1ccccc1 32814770 PUACYLXJEOTPPN-QWHCGFSZSA-N 306.391 1.678 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(CC(=O)Nc2cccnc2)CC1 69626858 ZGOJIMWCUVWORB-OAHLLOKOSA-N 320.437 1.045 0 40 DDAB Cn1c(C(=O)N2CCN(CC(C)(C)O)CC2)cc2ccccc21 69631948 NDJWNQWIYPAHAA-UHFFFAOYSA-N 315.417 1.707 0 40 DDAB CCCOc1ccc(N2C(=O)NC(=O)C2=O)cc1OCCC 2653962 PESMTNZGLIICRW-UHFFFAOYSA-N 306.318 1.847 0 40 DDAB CC(C)[C@@H]1Cc2c(sc3c2-c2nncn2-c2nncn2-3)CO1 520737 WZRSOTSQQOESQC-VIFPVBQESA-N 314.374 1.987 0 40 DDAB CC(C)n1nccc1NC(=O)CNC(=O)c1ccccc1F 22290162 NJRIBJLWNZXKMG-UHFFFAOYSA-N 304.325 1.972 0 40 DDAB O=C(NCCNc1cnccn1)NC[C@H]1Cc2ccccc2O1 46876406 DIQODUKDCATDNR-CYBMUJFWSA-N 313.361 1.191 0 40 DDAB CCOC(=O)[C@@H]1CCCN(c2ncnc3c(C)nn(CC)c23)C1 57280132 DYILYRZVVLBTHJ-GFCCVEGCSA-N 317.393 1.934 0 40 DDAB OCCN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 22943104 IMUDKHOEHAGZOW-UHFFFAOYSA-N 322.796 1.500 0 40 DDAB C[C@H](NC(=O)NCCc1cn2ccccc2n1)[C@@H]1CCCO1 42325216 UOXKDBRRBHTFJY-JSGCOSHPSA-N 302.378 1.744 0 40 DDAB O=C(NC1CCN(Cc2ccccc2)CC1)C1=COCCO1 23156947 SCMITTQSYYYNAR-UHFFFAOYSA-N 302.374 1.655 0 40 DDAB CC(C)OCCCNC(=O)c1cccnc1N1CCOCC1 23177826 PSJOYPFWGTXRGN-UHFFFAOYSA-N 307.394 1.463 0 40 DDAB CCc1nc(C(=O)N2CCOCC2)nn1-c1ccccc1Cl 69375656 PQUYFFKTQCRVIU-UHFFFAOYSA-N 320.780 1.956 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1COc2ccccc2O1 54539202 GVZXSCWWHGRQRH-CYBMUJFWSA-N 314.345 1.023 0 40 DDAB CO[C@H](CNC(=O)C1CCN(C(C)=O)CC1)c1ccccc1 42749996 MZADXVQMWMLWDM-MRXNPFEDSA-N 304.390 1.749 0 40 DDAB C[C@@H]1C[C@@H]1CNC(=O)Cn1nnc(COc2ccccc2)n1 42980671 YJMPIYUMGDPTFC-VXGBXAGGSA-N 301.350 1.024 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 107195642 DRIVQEPGTVELJS-QAPCUYQASA-N 310.401 1.526 0 40 DDAB Cc1noc([C@@H](C)N2CC[C@@H](N(C)Cc3noc(C)n3)C2)n1 107056196 OGPRVMJQLQJSIM-BXKDBHETSA-N 306.370 1.337 0 40 DDAB COC(=O)c1cccc(NCCn2nc3ccccn3c2=O)c1 25627146 IWMMPJKJTOLPJM-UHFFFAOYSA-N 312.329 1.395 0 40 DDAB O=C(NCC1CCC1)c1cccc(CN2C(=O)CNC2=O)c1 26143210 RVGPYULNMLLGQD-UHFFFAOYSA-N 301.346 1.268 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2)c1 35485423 VNFDLVFTGKXSSP-KRWDZBQOSA-N 323.396 1.764 0 40 DDAB Cc1cc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)no1 69773376 CJGXECAVSCURRR-UHFFFAOYSA-N 308.301 1.322 0 40 DDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccccc1)CN=2 1819025 OCRQQABGMPLXQL-GDNBJRDFSA-N 322.393 1.188 0 40 DDAB Cc1cc(=O)oc2cc(NCC(=O)N3CCO[C@H](C)C3)ccc12 57882648 VEBHGWZAASJQQR-GFCCVEGCSA-N 316.357 1.761 0 40 DDAB O=C(CCNC(=O)OCc1ccccc1)O[C@@H]1CC(O)=NC1=O 64219240 FMSDPMBKSZAEBL-LLVKDONJSA-N 320.301 1.102 0 40 DDAB CCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 29504975 PVBLWEYYZWNXOA-ZDUSSCGKSA-N 312.391 1.357 0 40 DDAB Cn1ncc2c(=O)n(Cc3ccn(-c4cccc(F)c4)n3)cnc21 58183332 QGGWBZZSCGFOKW-UHFFFAOYSA-N 324.319 1.503 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)F)s1 58152418 RUEHPXSLRROXCD-YFKPBYRVSA-N 316.289 1.826 0 40 DDAB CN(C)CCNC(=O)C[C@@H]1CC2(CCNCC2)c2ccccc21 306125852 DDXCYFXTBNRQPR-OAHLLOKOSA-N 315.461 1.863 0 40 DDAB CN(CC(=O)NC1CC1)S(=O)(=O)C1=Cc2ccccc2CC1 44869358 GZMPKIPGTTUGTP-UHFFFAOYSA-N 320.414 1.514 0 40 DDAB CC(C)N1CCC(NC(=O)COc2ccc(C(N)=O)cc2)CC1 58263954 YZDXDKJHFSKOOG-UHFFFAOYSA-N 319.405 1.153 0 40 DDAB CC[C@@H](C)[C@@H](NC(C)=O)C(=O)NC(=O)NCc1ccccc1 2114973 LYTIXGUTYOIHJZ-BXUZGUMPSA-N 305.378 1.563 0 40 DDAB biogenic Cc1nc2ccccc2n1CCCNC(=O)[C@@H](C)S(C)(=O)=O 44967048 GSSWVISQSQYHPL-LLVKDONJSA-N 323.418 1.284 0 40 DDAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)o1 2228217 ZQTGBVUKYLKEPO-UHFFFAOYSA-N 309.347 1.589 0 40 DDAB COCCN1C[C@@H](C(=O)N[C@H]2CCOc3ccccc32)CC1=O 45288251 SZDIAGLOLQNXTP-JSGCOSHPSA-N 318.373 1.121 0 40 DDAB C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)[C@H]1CCOC1 110697338 KRXZUJLRVOOASO-WOPDTQHZSA-N 323.359 1.689 0 40 DDAB COc1ccc(CN(C)C(=O)Cn2ccccc2=O)cc1F 12994446 RDABCSSBJZHMRU-UHFFFAOYSA-N 304.321 1.655 0 40 DDAB COc1cccc(C(=O)NC(=S)NCc2cccnc2)c1 4090380 WFPNRMGRYNVBCF-UHFFFAOYSA-N 301.371 1.895 0 40 DDAB Cc1occc1C(=O)NCC(=O)OCc1noc(C2CC2)n1 63979421 CHALDRYPXJPOFL-UHFFFAOYSA-N 305.290 1.322 0 40 DDAB CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)NC(=O)NC1=O 5029058 URWHVKUXFXVDOR-UHFFFAOYSA-N 313.235 1.757 0 40 DDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2nccnc2N)C1 69845978 RDWCRCZEXIJOFW-GFCCVEGCSA-N 314.393 1.856 0 40 DDAB O=C(CSc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 6351794 JQMGLRINSAZYFT-SECBINFHSA-N 319.835 1.735 0 40 DDAB COC[C@H](C)NC(=O)N[C@H](c1ccccc1F)c1nccn1C 65424137 CWOPFLHDANANRX-SMDDNHRTSA-N 320.368 1.983 0 40 DDAB COc1cccc(N2CCN(Cc3[nH]cnc3C)[C@@H](C)C2=O)c1 65424549 BZILYLPCZSICRQ-ZDUSSCGKSA-N 314.389 1.964 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)N[C@H]1CCc2c(O)cccc21 65522630 CMYVXCIBKFIQPI-INIZCTEOSA-N 324.380 1.855 0 40 DDAB CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)C1CCCC1 20036102 XNYGDNQLYNGEKL-UHFFFAOYSA-N 310.419 1.854 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@H]1CCCO1 5325107 RGYZKZNFKPHHSX-SNVBAGLBSA-N 304.268 1.162 0 40 DDAB Cc1ccc(C(=O)Nn2c(=O)[nH]c3ccsc3c2=O)cc1 71289385 ZVHQTKNHUUENRU-UHFFFAOYSA-N 301.327 1.444 0 40 DDAB OCCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1 6529470 SJBZDXHHFOXXEV-QGZVFWFLSA-N 301.386 1.921 0 40 DDAB Cc1cccc2c(=O)n(CCCC(=O)N3CCOCC3)cnc12 8753870 VBDMTAZTRMXWGI-UHFFFAOYSA-N 315.373 1.344 0 40 DDAB O=C(O)c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 5778263 BXJWQRFCIGSXNO-GFCCVEGCSA-N 313.313 1.569 0 40 DDAB Cc1nc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)[nH]c(=O)c1C 67172894 OIHRKGOXJGSYHF-LBPRGKRZSA-N 322.409 1.880 0 40 DDAB CC(C)c1cc(NCCN2C(=O)CNC2=O)nc(C(C)C)n1 90092791 CCTUCFDGYBWRJZ-UHFFFAOYSA-N 305.382 1.687 0 40 DDAB Cc1ccc(CN(C)[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15565679 NVGPCXBGKLBYEU-DZGCQCFKSA-N 324.446 1.119 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)C1 68462614 HUPGRYLUQWABKD-XQQFMLRXSA-N 304.456 1.708 0 40 DDAB C[C@H](c1cccnc1)N1CCN(C(=O)C2(O)CCCCC2)CC1 86539852 RUINTPVFCXHZRE-OAHLLOKOSA-N 317.433 1.982 0 40 DDAB COCCNC(=O)COC(=O)CCC(=O)c1ccc(C)cc1 9498459 IJPDLUPSTIHBGV-UHFFFAOYSA-N 307.346 1.264 0 40 DDAB COC(=O)c1c(C)cccc1NCC(=O)NC(=O)NC1CC1 9591340 QUZXUPMGWLOSCG-UHFFFAOYSA-N 305.334 1.182 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2c(C)c(C)nn2C)cc1 71883572 IIMTXKCCNCTAQS-UHFFFAOYSA-N 322.390 1.197 0 40 DDAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCNC(=O)CC1 71839452 YZSHTSFXWLDJNT-CQSZACIVSA-N 316.401 1.854 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCN1Cc1ccccc1 72278678 BAFKIFZWPMYDBT-SJORKVTESA-N 324.428 1.979 0 40 DDAB CCN(CC)c1ccc(CNC(=O)NCC(=O)NC(C)C)cn1 75572592 DJFUGIQNDRRWKI-UHFFFAOYSA-N 321.425 1.252 0 40 DDAB Cn1c(=O)c(Cn2cnc3ccsc3c2=O)nc2ccccc21 97201472 WPKVQSATMAEFRB-UHFFFAOYSA-N 324.365 1.753 0 40 DDAB Cc1noc(Cl)c1CCC(=O)N1CCN(C[C@@H](C)O)CC1 75602984 KVIGTNDYFUMTMR-SNVBAGLBSA-N 315.801 1.094 0 40 DDAB COc1ccc(-c2ccc(=O)n(CN3CCSCC3)n2)cc1 72403044 FZNHNEREUXXVLS-UHFFFAOYSA-N 317.414 1.925 0 40 DDAB CC(C)n1ncc2ccc(NC(=O)N[C@H]3CCN(C)C3=O)cc21 95399543 RNALGEBLWADGEN-ZDUSSCGKSA-N 315.377 1.969 0 40 DDAB CC(C)(C)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 78357586 AKLLWJHTKYZDIA-HNNXBMFYSA-N 320.433 1.617 0 40 DDAB O=C(Cn1cnnn1)Nc1cc(-c2ccc(Cl)s2)[nH]n1 95441601 FLANBLJZRPDYGZ-UHFFFAOYSA-N 309.742 1.417 0 40 DDAB O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](c1ccccc1)C1CCC1 95449730 KSMQOIHJSBUYJZ-JSGCOSHPSA-N 301.346 1.242 0 40 DDAB CCN(C[C@H](O)c1ccc(C)cc1)S(=O)(=O)c1cnn(C)c1 95433343 AIPKGHHPMFGSQX-HNNXBMFYSA-N 323.418 1.473 0 40 DDAB CN1C[C@H](NS(=O)(=O)Cc2c(F)cccc2F)CCC1=O 95452343 BJYZKWUUJRHDDZ-SECBINFHSA-N 318.345 1.005 0 40 DDAB O=C(c1ccccc1)N1CCN(Cc2cnc3ncccn23)CC1 95453768 QDTHCJSJZSSLIW-UHFFFAOYSA-N 321.384 1.687 0 40 DDAB CCOC(=O)Cn1c(=O)cc(C)n(-c2ccc(C)cc2C)c1=O 98063760 FJKFTSYKJBLUQL-UHFFFAOYSA-N 316.357 1.488 0 40 DDAB COc1ccccc1NC1CCN(S(=O)(=O)N(C)C)CC1 85297694 OYOGEXSJWDSTJG-UHFFFAOYSA-N 313.423 1.378 0 40 DDAB CO[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 95961128 PYDWEARMNXVYER-SECBINFHSA-N 316.279 1.680 0 40 DDAB Cn1nccc1C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 95965434 MYAHEQSRLMAGEZ-CQSZACIVSA-N 313.357 1.534 0 40 DDAB CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 95951772 FSSLYLOEQWSUOO-AWEZNQCLSA-N 310.419 1.061 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NCCN(C)C3CC3)c2C)cc1 95956032 TZFXAEIMVLFHFR-UHFFFAOYSA-N 313.405 1.708 0 40 DDAB CCCOc1ccc2c(c1)CCN(CCNS(C)(=O)=O)C2 95972739 STGJYQUWHHHPHB-UHFFFAOYSA-N 312.435 1.383 0 40 DDAB O[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1N1CCOCC1 22853431 OJADJRYGRNNTHK-RYUDHWBXSA-N 302.827 1.279 0 40 DDAB CCCNC(=O)c1[nH]nc2c1COC[C@]21CCN(C(C)C)C1 306136033 PHAGOJZPFLDBRY-MRXNPFEDSA-N 306.410 1.432 0 40 DDAB O=C(NC1Cc2ccccc2C1)c1ccc(F)cc1-n1cnnn1 32074637 TZFKYWKYFDSBPP-UHFFFAOYSA-N 323.331 1.699 0 40 DDAB Nc1cccnc1-c1cccc(CN2CCCS2(=O)=O)c1 521398334 PQZLFRSERCCKQF-UHFFFAOYSA-N 303.387 1.866 0 40 DDAB COc1ccc2c(c1)CN(C(=O)c1cnc3[nH]c(O)nc3c1)C2 1530024574 NRCDYZZNJOFAQB-UHFFFAOYSA-N 310.313 1.828 0 40 DDAB Cc1occc(=O)c1OCc1noc(C(=O)NC2CCCC2)n1 32103991 MUSMMPBRVCRWHG-UHFFFAOYSA-N 319.317 1.583 0 40 DDAB O=C(O)CCN1CCN(c2ncccc2C(F)(F)F)CC1 35687101 JBEPBMWJGCWPJJ-UHFFFAOYSA-N 303.284 1.697 0 40 DDAB Cc1sc2ncnc(NCCN3CCN(C)CC3)c2c1C 37497027 SMLJEMIKFYXZFE-UHFFFAOYSA-N 305.451 1.967 0 40 DDAB CCc1nnsc1C(=O)NCc1ccc(C(=O)OC)cc1 32740588 MTMBULKHYIIIAD-UHFFFAOYSA-N 305.359 1.817 0 40 DDAB CCCNC(=O)Cn1nc(CC)n2c(cc3oc(C)cc32)c1=O 72346405 MKJVEBBUOKYZNW-UHFFFAOYSA-N 316.361 1.639 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cc(N3CCCC3)ncn2)C1 72364657 UKZPDYWLTIHACI-CYBMUJFWSA-N 324.450 1.291 0 40 DDAB CCn1ncc(CNc2nc(N)nc3c2nc(C)n3C)c1C 72240960 YVUFUGBYNPHSTN-UHFFFAOYSA-N 300.370 1.391 0 40 DDAB CCn1cc(CC(=O)N2CCN(c3cncc(F)c3)CC2)cn1 565188291 AEMPFYZAHDYMEZ-UHFFFAOYSA-N 317.368 1.328 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1 48363870 XQLDDNODBPSLRV-GUYCJALGSA-N 320.389 1.701 0 40 DDAB O=C([C@H]1CCc2nnnn2CC1)N(Cc1ccncc1)C1CC1 567902967 CMXXMGNPDJOUAA-ZDUSSCGKSA-N 312.377 1.212 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 225405987 BGVTVHZJUQQBNU-UHFFFAOYSA-N 313.253 1.534 0 40 DDAB CCn1cnnc1CNC(=O)NCCc1ccc(C)c(OC)c1 96421438 QMOHHEMHKBIAJD-UHFFFAOYSA-N 317.393 1.657 0 40 DDAB Cc1ccncc1NC(=O)C(=O)NC[C@H](C)CN1CCCCC1 96411859 IRKIZTSHLJZGCI-ZDUSSCGKSA-N 318.421 1.567 0 40 DDAB CS(=O)(=O)c1nccn1Cc1nc(-c2ccsc2)no1 96444626 ZUKVXCQZFLRSFW-UHFFFAOYSA-N 310.360 1.446 0 40 DDAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1ccncc1 95475961 JSASZTFDLWMVGW-UHFFFAOYSA-N 312.304 1.361 0 40 DDAB O=C(c1ccco1)N1CCC2(CC1)C(=O)NCCN2CC1CC1 96230194 RQOWRZMSUGMNQQ-UHFFFAOYSA-N 317.389 1.096 0 40 DDAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n1 96134070 MLINKZHAYVTHGW-CVEARBPZSA-N 323.437 1.980 0 40 DDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2 96108403 VDULUTUROSWOOZ-PBHICJAKSA-N 322.380 1.037 0 40 DDAB CC(C)N(CCS(C)(=O)=O)CC(=O)N1C[C@@H](C)C[C@H](C)C1 96485420 RWYYGXDJIJVKMD-KBPBESRZSA-N 318.483 1.246 0 40 DDAB O=C(N1CCCC1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042143 LDIOPONIKSYCAP-HRCADAONSA-N 317.389 1.908 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 96454873 OXYWATLDNJCNSS-LBPRGKRZSA-N 316.810 1.494 0 40 DDAB COCC(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cccnc1 96200169 BLZYCVQFQSNMKR-JKSUJKDBSA-N 304.390 1.667 0 40 DDAB Cc1ccc(CN2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)o1 96057451 XEZADPFSGPLMEL-IKGGRYGDSA-N 308.422 1.898 0 40 DDAB CC(C)(C)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 244508226 ZMTSIIQJSXAONJ-UHFFFAOYSA-N 316.398 1.502 0 40 DDAB Cn1nc(-c2cnccn2)cc1CNC(=O)Cc1cccs1 240002275 PQZHIBDNJUAGTQ-UHFFFAOYSA-N 313.386 1.798 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 245380308 VYKFMVZLUZZVBZ-QEJZJMRPSA-N 311.389 1.953 0 40 DDAB O=C1CO[C@@H]2CN(Cc3ccncc3)C[C@H]2N1Cc1ccccc1 257318372 VNPWLNITOOYEJQ-QZTJIDSGSA-N 323.396 1.693 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)C1CCOCC1 257247671 IZZVWHVIKDRHJM-HNNXBMFYSA-N 319.405 1.372 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)[C@H](C)CSC)O1 253392582 DPKPPLZBXGZODC-FHUSYTEZSA-N 315.435 1.696 0 40 DDAB C[C@@]12CC[C@@H]3C[C@]1(C(N)=O)N(NC(=O)c1ccccc1)C[C@]32C 253387733 ZGRBDTOEMOEBAV-NKGKWGDASA-N 313.401 1.697 0 40 DDAB Cc1nc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc(C(N)=O)n1 257318429 VNWIQESCPHDNCW-GFCCVEGCSA-N 318.421 1.711 0 40 DDAB CN(C)c1ccc(C[C@@H](CO)n2cc(C(=O)O)ccc2=O)cc1 257303770 SIQGFBXZWKGRPC-HNNXBMFYSA-N 316.357 1.389 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2ccncn2)C1 585276405 JNQLSAGDVKWRFY-QGZVFWFLSA-N 313.357 1.441 0 40 DDAB Nc1cn(C2CCCC2)nc1C(=O)NCCCN1CCOCC1 685936190 JKVIDIYZLXOQAY-UHFFFAOYSA-N 321.425 1.033 0 40 DDAB CC[C@@](C)(CNC(=O)Nc1cc(C)nn1C)N1CCOCC1 43432970 PWODPALUAKFALZ-HNNXBMFYSA-N 309.414 1.351 0 40 DDAB Cc1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C 44865672 QLJJBVWSHZAOAR-HNNXBMFYSA-N 311.403 1.376 0 40 DDAB O=C(COC1CCCCC1)N1CCC(N2CCNC2=O)CC1 55786818 RBNQXLCXWNBSSP-UHFFFAOYSA-N 309.410 1.352 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 52135485 BAEHPKWYMAVHFP-UHFFFAOYSA-N 315.370 1.325 0 40 DDAB COCCn1cc(C(=O)NC(C)(C)C(N)=O)c2ccccc21 57436606 SSXXMJAYZRLUQI-UHFFFAOYSA-N 303.362 1.281 0 40 DDAB COc1ccc(C(=O)N2CCCN(c3nccs3)CC2)cn1 68297629 ZFYXPNQCBOEYLA-UHFFFAOYSA-N 318.402 1.899 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN(c3nccs3)C(=O)C2)s1 1565522509 RIZWXXPFEUQFKF-UHFFFAOYSA-N 322.415 1.705 0 40 DDAB CC(C)CCC(=O)NCC(=O)NC[C@@](C)(O)CCC(C)C 75127111 ZNEQPKKYQJOKDA-INIZCTEOSA-N 300.443 1.842 0 40 DDAB COc1cc(NC(=O)c2cncc(Br)c2)ncn1 77198904 UYCNINFNERIXCS-UHFFFAOYSA-N 309.123 1.895 0 40 DDAB COCCN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1225709594 ZKDGJPOCKOYUIN-UHFFFAOYSA-N 305.300 1.985 0 40 DDAB O=S(=O)(c1ccccc1Br)N1C[C@H]2C[C@H]1CO2 371746598 KPGAWNQFEQWFJB-DTWKUNHWSA-N 318.192 1.611 0 40 DDAB CCCCN1C(=O)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 5568847 WJNZTMDYLVVYRT-UHFFFAOYSA-N 318.329 1.564 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(CC)cc2)n[nH]1 12414690 XEADGSCSEACYBM-UHFFFAOYSA-N 323.374 1.950 0 40 DDAB CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c(F)c(=O)[nH]2)on1 19522749 MQWFDQINBJQBBO-JTQLQIEISA-N 320.324 1.745 0 40 DDAB O=C(CNC[C@H]1CCCO1)N1CCC[C@@H](N2CCCCC2)C1 167773964 FOVNEYBQTHCBNV-HZPDHXFCSA-N 309.454 1.232 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccn(C)n2)C1 390831647 TVNCBAIRWWOLGM-GFCCVEGCSA-N 324.406 1.593 0 40 DDAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(N)=O 5786030 BLZFFXJSKOCGJV-KOLCDFICSA-N 324.764 1.106 0 40 DDAB CCC(=O)N1C[C@H]2CN(c3ncnc4c3ncn4CC)C[C@@H]2C1 1888856985 IIAXWZQVYYKIHZ-RYUDHWBXSA-N 314.393 1.151 0 40 DDAB COc1ccccc1NC(=O)CCN1CCC2(CC1)OCCO2 32825304 DCGCPHQSHFZXKW-UHFFFAOYSA-N 320.389 1.863 0 40 DDAB CC(=O)N1CCN([C@H]2CCN(C3CCCCC3)CC[C@@H]2O)CC1 2037849841 SZDBYKTXOQWPLH-ROUUACIJSA-N 323.481 1.309 0 40 DDAB Cc1nc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CCC3)C2)cs1 1565550246 VQYJKPVQGAMEAV-LRDDRELGSA-N 319.430 1.972 0 40 DDAB CC(C)(C)C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251019 LPWGDSJBTFEYPD-UHFFFAOYSA-N 311.345 1.698 0 40 DDAB CC(C)CC(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738747 NYGGJDSHRSLFFG-LBPRGKRZSA-N 319.405 1.834 0 40 DDAB CO[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccccc1)c1ccco1 206867011 KYTKCKWOQYJZKX-WFASDCNBSA-N 316.357 1.961 0 40 DDAB O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1ccco1 1830976 FYKMUPYRJOUFBP-QBFSEMIESA-N 316.313 1.502 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1csc(Br)c1 40529219 IBCOERUHLJYRJB-RXMQYKEDSA-N 306.185 1.184 0 40 DDAB O=C(NCc1ccco1)N[C@@H]1CCCN(c2ncccn2)C1 40549223 QPWIQMNTLOWSIB-GFCCVEGCSA-N 301.350 1.538 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)O 36623946 YXBZNKKSXVLCOU-QWHCGFSZSA-N 307.394 1.886 0 40 DDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O 4725754 MJRWXIQFTMLYFG-GFCCVEGCSA-N 322.361 1.323 0 40 DDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cccc(C)c3)N2N1 10152963 AEEWDJBKXIEXLW-GFCCVEGCSA-N 313.361 1.250 0 40 DDAB Cc1ccc2cc(CN(C)C(=O)[C@@H]3CCCO3)c(=O)[nH]c2c1 8579323 RTQMSUNKXGJFGR-HNNXBMFYSA-N 300.358 1.974 0 40 DDAB COc1ccc(OC)c(N2C(=O)C[C@@H](SCCO)C2=O)c1 8570078 LMGDIJKXYOXFMP-GFCCVEGCSA-N 311.359 1.061 0 40 DDAB COc1ccc(F)cc1C(=O)COC(=O)c1cnn(C)c1C 10890124 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O=C1CCCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2N1 21531986 WLADOSPECDTMDI-GFCCVEGCSA-N 324.402 1.419 0 40 DDAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCO1 27849279 ZPBISFDGWINJTL-SMDDNHRTSA-N 315.373 1.539 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] 44311292 ADKWNVJJHQLNFK-IUCAKERBSA-N 320.273 1.287 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CN)cc1OC 44556604 DUZXDKJVHHKVLR-NSHDSACASA-N 314.407 1.206 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)CCCC3CCCCC3)CC2)N1 22699723 HOMDOJLYJUMXPV-UHFFFAOYSA-N 321.421 1.938 0 40 DDAB C[C@H]1CO[C@H](C)CN1CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 27646327 HPJOBIXAXJLWMU-QWHCGFSZSA-N 319.405 1.543 0 40 DDAB O=C(Nc1ccccn1)c1cccc(S(=O)(=O)NC2CC2)c1 27653815 KHABBVMSPMUCIH-UHFFFAOYSA-N 317.370 1.775 0 40 DDAB CN(C)c1cc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)ccn1 58224696 SZKTXMQZGPBWDG-UHFFFAOYSA-N 309.329 1.636 0 40 DDAB CCCCOc1ccc2cc(C(=O)N3CCNC(=O)C3)[nH]c2c1 47717997 UPMPKVVDSJUWAU-UHFFFAOYSA-N 315.373 1.919 0 40 DDAB O=C(NCc1cccc(F)c1)N1CCN(c2cnccn2)CC1 44914895 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Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)n1 72253037 HKGLLSDOUHSFCB-HZPDHXFCSA-N 304.438 1.975 0 40 DDAB COCCS(=O)(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 72273669 VCBHLDZTDFIDMI-LBPRGKRZSA-N 324.406 1.236 0 40 DDAB CC(=O)NCC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 97235927 XJKQNDXRYQAUJM-VIFPVBQESA-N 302.296 1.889 0 40 DDAB O=C(c1ccc2nncn2c1)N1CCC[C@H]1c1noc(C2CC2)n1 84494153 AFPHVTPYJMVLDF-LBPRGKRZSA-N 324.344 1.967 0 40 DDAB CC[C@@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1N1CCOCC1 84736036 WMMGAHRKOHZWIK-UKRRQHHQSA-N 321.421 1.981 0 40 DDAB CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H]1CCN(CC2CC2)C1 95436928 CBVXRWJUQAURKB-GJZGRUSLSA-N 311.470 1.813 0 40 DDAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1C 79479050 ZGJBUQKIGZEJQX-JTQLQIEISA-N 306.318 1.833 0 40 DDAB C[C@@H]1CCCN(CCN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 95984936 UGPUUGDXDUADPW-KFWWJZLASA-N 302.484 1.664 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)N[C@@]1(C)CCOC1 95975360 ITECNKMKLMCBSQ-INIZCTEOSA-N 307.394 1.415 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)cc1C 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c1ccc(-n2nnnc2N[C@@H]2CCOC3(CCOCC3)C2)cc1 77522573 SUBOQHWNIWQTRS-CYBMUJFWSA-N 315.377 1.802 0 40 DDAB COC[C@H](NC(=O)c1cccc2[nH]c(C)nc12)c1ccnn1C 71388638 OAWXGOHUCRDHIP-ZDUSSCGKSA-N 313.361 1.722 0 40 DDAB O=C(O)CCc1cnc(COc2ccc(F)cc2F)[nH]c1=O 223445660 PKONKNCUXXLCRN-UHFFFAOYSA-N 310.256 1.644 0 40 DDAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)OC)n1 41155367 VRZILNJFMPXCQB-UHFFFAOYSA-N 317.798 1.925 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(-c2ccsc2)oc1C 195578119 VYJRQWJURWAQBV-YPMHNXCESA-N 322.386 1.820 0 40 DDAB O=C(c1nnn(-c2ccc(F)cc2)n1)N1CCc2ccccc2C1 75163539 FBSIKHYMFKOHFH-UHFFFAOYSA-N 323.331 2.000 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)C[C@@H](C)S1 195531378 IIJCJXIJPOCGQT-UPJWGTAASA-N 323.466 1.534 0 40 DDAB O=C(NC[C@H]1COCc2nc3ccccc3n21)c1cccnc1 96112447 LWPXVORDDRVSMT-ZDUSSCGKSA-N 308.341 1.933 0 40 DDAB biogenic,in-vitro Cn1nnc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)n1 96223486 SGTYKBACXOBNEE-UHFFFAOYSA-N 310.317 1.290 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 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DDAB CNC(=O)c1cccc(CCNc2cnn(C)c(=O)c2Cl)c1 96419462 YFMSAJOYSZHWNJ-UHFFFAOYSA-N 320.780 1.448 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ncoc1C 257272843 NECNIPXQYFLTRG-ZDUSSCGKSA-N 316.361 1.555 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cnc(-c3cn[nH]c3)cn2)C1 257287465 PQCGBBZMZJGPAR-JTQLQIEISA-N 307.379 1.006 0 40 DDAB CNc1cncc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257223548 DXWBHXAFANUHBL-ZDUSSCGKSA-N 310.423 1.928 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)c2cnc(C)cn2)nc(C)n1 257235993 HAKCEYLJTQVIMY-CQSZACIVSA-N 312.377 1.902 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3cccn3C)CCO2)nc(C)n1 257328222 XESFGQQXESUNCN-OAHLLOKOSA-N 300.362 1.646 0 40 DDAB CNC(=O)[C@@]1(C)CN(c2ccc(C(F)(F)F)cn2)CCO1 257331040 XRDYRYKJDITVON-GFCCVEGCSA-N 303.284 1.442 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)Nc2cnc3ccccc3c2)C1 257272115 NBCVCZAURRLBEK-QGZVFWFLSA-N 313.357 1.811 0 40 DDAB Cc1cc(-c2cccc([C@H]3CCCN3S(C)(=O)=O)n2)[nH]n1 257301923 SAONQWYMECSDJJ-CQSZACIVSA-N 306.391 1.877 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(c3ccnc(C)n3)CC2)C1 257297697 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NC(=O)C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O 16887860 AQVMYSDRWMCUIU-GFCCVEGCSA-N 301.302 1.290 0 40 DDAB Cc1ccc2cc(CNC[C@H]3COCCO3)c3nnnn3c2c1 19234297 YAWVFEMKFQJVLS-AWEZNQCLSA-N 313.361 1.091 0 40 DDAB COc1cncc(O[C@H]2CCN(C(=O)c3c(C)noc3C)C2)n1 225394988 OEVMJFBSSQNXMK-NSHDSACASA-N 318.333 1.384 0 40 DDAB CC(C)NC[C@@H](O)COc1ccc([C@H](O)COCC2CC2)cc1 5760527 NDOYCLDFWYZWIO-SJLPKXTDSA-N 323.433 1.884 0 40 DDAB Cc1ccc([C@@H](CNC(=O)C2(C(=O)O)CC2)N2CCCC2)o1 558387131 IXEZFCDXTFPDTP-GFCCVEGCSA-N 306.362 1.706 0 40 DDAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NCc1ccco1 3246980 NERGORAACYMSLM-UHFFFAOYSA-N 308.721 1.988 0 40 DDAB CCN(Cc1ccccc1)C(=O)COC(=O)C1=COCCO1 3515491 FJPLADQKRSDTBX-UHFFFAOYSA-N 305.330 1.467 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888857058 BVLQOSPYDBADPR-NSHDSACASA-N 323.418 1.547 0 40 DDAB Cc1ccc(S(=O)(=O)N(CC(=O)O)CC2CC2)cc1F 36885481 KTYLDCKZYFILNQ-UHFFFAOYSA-N 301.339 1.619 0 40 DDAB COc1cc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)on1 1074218846 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313.313 1.801 0 40 DDAB C[C@H](Sc1n[nH]c(=O)n1C)c1nc2ccccc2c(=O)[nH]1 40161940 KSCCZXUSCZRGJF-ZETCQYMHSA-N 303.347 1.198 0 40 DDAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCSCC1 40283911 NCTBGDBCSVWIKF-UHFFFAOYSA-N 321.431 1.402 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccn(C)c(=O)c1)c1cccs1 40496658 DFBWLEREWSEEPG-GFCCVEGCSA-N 305.403 1.480 0 40 DDAB NS(=O)(=O)c1ccc(OCCOc2ccc(F)cc2)cc1 40464851 DLKFUPYLFGGTEV-UHFFFAOYSA-N 311.334 1.931 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CCCN(c2cnccn2)C1 31401246 SLYRPBVCJBPPCM-UONOGXRCSA-N 314.393 1.094 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)NCc1ccncc1)CC(=O)O2 31844780 VSUUPTKCISFXSE-UHFFFAOYSA-N 311.341 1.432 0 40 DDAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 428760 COCSDUCZYWIDKL-UHFFFAOYSA-N 324.402 1.007 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 8120599 NJGBVCJXRUSVDS-SNVBAGLBSA-N 313.785 1.495 0 40 DDAB Cc1ccc(-n2ncc3c(N4CCN(C)CC4)ncnc32)cc1 4355011 DKDVFBUXUMVOOB-UHFFFAOYSA-N 308.389 1.876 0 40 DDAB NC(=O)NCCCCCC(=O)N[C@@H]1CCOc2ccccc21 32739293 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C[C@H](NCCCN1CCCC1=O)C(=O)Nc1ccccc1F 3440275 ZWSDBLVKSOXREV-LBPRGKRZSA-N 307.369 1.755 0 40 DDAB O=S(=O)(c1ccc(NC[C@@H]2COCCO2)cc1)C(F)F 38062184 GAQXYXQLRZHTJG-SNVBAGLBSA-N 307.318 1.510 0 40 DDAB NC(=O)NCCCC(=O)OCc1ncc(-c2ccccc2)o1 8328143 YIKWSCBZBKTZAD-UHFFFAOYSA-N 303.318 1.833 0 40 DDAB C[C@H](O)CN1CCC(CN(C)CC(=O)Nc2cccnc2)CC1 69808353 VAJCDQUVMBNBFS-AWEZNQCLSA-N 320.437 1.045 0 40 DDAB Nc1ccc(Br)cc1C(=O)OCC(=O)NC1CC1 4246372 CKMLCHHLDCCRKH-UHFFFAOYSA-N 313.151 1.467 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2nc(C3CC3)no2)n1 69519417 IZAVWZHQELMWHC-ZDUSSCGKSA-N 302.382 1.820 0 40 DDAB CN1N=C(C(=O)N[C@@H]2C[C@@H]2c2ccccc2Cl)CCC1=O 69507759 CJVGSKBRIZGUSS-ZWNOBZJWSA-N 305.765 1.920 0 40 DDAB CN(Cc1ccccc1)C(=O)CCNC(=O)Nc1cn[nH]c1 65564568 FPONJGPWXGGXMG-UHFFFAOYSA-N 301.350 1.580 0 40 DDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NC1CCCC1 6649331 SKBCGRBJHFGVEG-UHFFFAOYSA-N 315.329 1.139 0 40 DDAB Cc1ccc(CNCCNS(=O)(=O)Cc2ccccc2)o1 66875045 RCGQOXGHGYBZMM-UHFFFAOYSA-N 308.403 1.797 0 40 DDAB O=C(Nc1ccccc1C(=O)NC1CC1)C(=O)NC1CCCC1 408709243 QOJSWOSCPIPLEU-UHFFFAOYSA-N 315.373 1.576 0 40 DDAB Cc1cc(=O)[nH]c(NNC(=S)NCCc2ccccc2)n1 15481733 WVYISZSZIZWHSR-UHFFFAOYSA-N 303.391 1.112 0 40 DDAB CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 8987035 KAZLHNKUDLTOAU-UHFFFAOYSA-N 302.363 1.182 0 40 DDAB COc1ccsc1S(=O)(=O)N(C)[C@H](C)C[S@](C)=O 96012558 CERHMIYQSORXLI-CQLKUDPESA-N 311.450 1.144 0 40 DDAB COCCN1CCO[C@@H](c2noc(-c3ccc(OC)cc3)n2)C1 96000281 RXZDWGNUWXLSHA-CQSZACIVSA-N 319.361 1.765 0 40 DDAB Cc1nnc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)s1 71797245 HQIQVYUWEWPDJY-LLVKDONJSA-N 306.395 1.356 0 40 DDAB Cc1ccc2oc(C(=O)NC3CCN(CC(N)=O)CC3)cc2c1 71819838 RMFHWENWTCZETD-UHFFFAOYSA-N 315.373 1.421 0 40 DDAB Cc1nc2cc(C(=O)N3CCNC(=O)C3(C)C)ccc2n1C 72277480 UPKFNSFPWKPJON-UHFFFAOYSA-N 300.362 1.232 0 40 DDAB CN(Cc1nc2c(F)cccc2[nH]1)C[C@H]1CCS(=O)(=O)C1 72294008 ZLPRLVRRIQHJHU-SNVBAGLBSA-N 311.382 1.569 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)N[C@H](C)Cn1cccn1 89904380 QZUPCCDAGZZZLR-TZMCWYRMSA-N 318.377 1.313 0 40 DDAB COCCC(C)(C)CNC(=O)N[C@@H]1CCc2nc(C)nn2C1 97115880 DSMOYQYIVLKTEN-GFCCVEGCSA-N 309.414 1.263 0 40 DDAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)[C@@H](C)OC 75611218 FWOLFMGNUREZMN-CYBMUJFWSA-N 321.421 1.416 0 40 DDAB O=C1CCC(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)CC1 72306957 XIFSCHBJCXYFPK-OAHLLOKOSA-N 318.373 1.646 0 40 DDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3ccncc3)C2)C1=O 76059032 BRUZOLXEWSLIPB-RHSMWYFYSA-N 316.405 1.276 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC[C@H]2c2cccs2)n1 97495041 HGFADAQKUPVWQU-JTQLQIEISA-N 304.423 1.918 0 40 DDAB CCO[C@@H](C)C(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1 95402121 WGONJPLRKVBTLO-RYUDHWBXSA-N 313.423 1.232 0 40 DDAB Cn1cc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)cn1 78880092 QIMWCSPOXYKFFG-LBPRGKRZSA-N 310.379 1.185 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1CC(=O)NC(=O)NC 88562037 HHJYPENZKVQSPD-ZDUSSCGKSA-N 304.394 1.173 0 40 DDAB Cc1noc(C)c1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27555857 LNWPDIJQZOPWAA-VIFPVBQESA-N 321.402 1.890 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 95969482 FSAWUMKLGODKBN-NSHDSACASA-N 317.320 1.948 0 40 DDAB CCNC(=O)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 95998819 RBCLNGDFMZEBLC-LBPRGKRZSA-N 302.334 1.839 0 40 DDAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 88777538 WNKGVDTYVLDREK-LLVKDONJSA-N 309.395 1.194 0 40 DDAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)CNC(=O)c1cccs1 79018477 JUQFUIOJJNILSX-BXUZGUMPSA-N 310.419 1.655 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)cc1N(C)C 89644158 BYPDKZNYDKULLB-MRXNPFEDSA-N 324.446 1.862 0 40 DDAB C[C@H](N)CN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 65090400 DVJDRWJKRNANKC-NHYWBVRUSA-N 315.373 1.558 0 40 DDAB COc1cc(CC(=O)OCc2nnc(C)o2)cc(OC)c1OC 24905212 SWLPQTSVUHDYEI-UHFFFAOYSA-N 322.317 1.690 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1 217410876 BRDKUCOJCOLIMG-UHFFFAOYSA-N 312.391 1.673 0 40 DDAB C[C@H]1CC[C@@H](CNc2cc(N3CCN(C)C(=O)C3)ncn2)C1 530483482 PWZWHLNNYQDBBE-QWHCGFSZSA-N 303.410 1.603 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC=CCC2)c1 31749389 MGWAZDHSNJNLLD-ZDUSSCGKSA-N 308.403 1.567 0 40 DDAB O=C(Cn1cnnn1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 78190587 JTMIFNXLPDPJLQ-JTQLQIEISA-N 319.674 1.746 0 40 DDAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)cc1 32508695 ZMCNAEPKMHSXDG-CHWSQXEVSA-N 310.444 1.695 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1cccnc1 72324836 WYIMZPPFHCMAKZ-ZTFGCOKTSA-N 312.417 1.512 0 40 DDAB O=C1NCCC[C@@H]1N1Cc2cc(Br)ccc2C1=O 2362803582 MXZXFYUKMWHJNL-NSHDSACASA-N 309.163 1.684 0 40 DDAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCNS(C)(=O)=O)cc1 76956805 FRIIEJRPTFQZTM-GJZGRUSLSA-N 324.446 1.579 0 40 DDAB COc1ccc(-c2ccnc3nc(CC(=O)O)nn23)cc1OC 35655501 XGHRRKASCUYSRA-UHFFFAOYSA-N 314.301 1.436 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(CN)CN 218375067 QQRFFSGSVLZIJO-NEPJUHHUSA-N 302.827 1.144 0 40 DDAB CNC(=O)[C@@]1(C)CN(Cc2[nH]c3ccc(F)cc3c2C)CCO1 72379699 FRQOZGJSLWFFKN-QGZVFWFLSA-N 319.380 1.952 0 40 DDAB CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1 61603992 LCYQCOHPQXFMOJ-UHFFFAOYSA-N 321.465 1.768 0 40 DDAB C[C@@H]1CCN(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1C(=O)O 568389487 LHBHYUXJAUMMOP-MFKMUULPSA-N 319.361 1.038 0 40 DDAB CSCC[C@@](C)(O)CNS(=O)(=O)Cc1cccc(C)c1 75157547 KWYSDMFMFGFNPP-CQSZACIVSA-N 317.476 1.919 0 40 DDAB CN1CCN(C(=O)c2ccc3c(c2)OCC(C)(C)CO3)CC1 225361408 RFKGESUJAOBEQY-UHFFFAOYSA-N 304.390 1.872 0 40 DDAB O=C(COc1ccn(-c2ccccc2)n1)NCc1cccnc1 226853497 XKWYKKUBXMFYLF-UHFFFAOYSA-N 308.341 1.963 0 40 DDAB CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2 96108295 VDRJHTABGRVOLS-PBHICJAKSA-N 321.396 1.545 0 40 DDAB CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2c1cnn2CC 96044625 DJNFROHIZODRED-CQSZACIVSA-N 303.410 1.772 0 40 DDAB Cc1cnc2n1CCN(C)C21CCN(Cc2cnn(C)c2)CC1 96036996 ZFFSCJINBUZRLM-UHFFFAOYSA-N 314.437 1.362 0 40 DDAB Cn1cccc1C(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 96110647 GCSJTYIFZMNOGP-GJZGRUSLSA-N 310.401 1.624 0 40 DDAB CC(C)CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2ccco2)C1 96065588 TWFUUHVDDUWQFN-HRCADAONSA-N 306.406 1.889 0 40 DDAB CSc1cncc(N2CCN(c3cc(C)nc(C)n3)CC2)n1 97095840 BSSHRIXYAMYDFX-UHFFFAOYSA-N 316.434 1.932 0 40 DDAB CCN1CCN(C)C2(CCN(Cc3ccccn3)CC2)C1=O 96230032 UOAPKMNHKQDQJJ-UHFFFAOYSA-N 302.422 1.210 0 40 DDAB Cc1oc(-c2cccs2)nc1Cn1nc2cnccn2c1=O 97107149 GTPJTWUWYRLVNY-UHFFFAOYSA-N 313.342 1.964 0 40 DDAB CCC[C@H]1Cn2nnc(C(=O)OC)c2CN1C(=O)OC(C)(C)C 242390138 AAHWVOFSHGGCFI-JTQLQIEISA-N 324.381 1.984 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257300888 RWBAHJJFGUHOJS-CQSZACIVSA-N 311.345 1.808 0 40 DDAB COCC(=O)N1CCC[C@H]1c1cncc(-c2nc(C)c[nH]2)n1 257215501 CQKGHBDVUKCYBP-ZDUSSCGKSA-N 301.350 1.485 0 40 DDAB Nc1nccnc1[C@@H]1CN(Cc2ccc(Cl)cn2)CCO1 257340751 ZHJOZFQJRNALPN-LBPRGKRZSA-N 305.769 1.681 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccon2)C1 257322772 WHIMZFAOCFWUGX-LLVKDONJSA-N 301.350 1.601 0 40 DDAB CC(C)S(=O)(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257338568 YXZXITICDRTDED-VHDGCEQUSA-N 310.419 1.909 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1=O 253592848 ZVXKKQJTGUNRMI-CKEIUWERSA-N 308.422 1.520 0 40 DDAB Cc1nc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc(-n2cccn2)n1 85470282 MWLQNLPPXOHVKW-UHFFFAOYSA-N 319.328 1.521 0 40 DDAB Cn1cnnc1NC(=O)c1ccc(OC2CCOCC2)cc1 275229376 SWKLJXJHTNLHTQ-UHFFFAOYSA-N 302.334 1.625 0 40 DDAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cnn(-c2ccccc2)n1 96122972 CGSAEQAZCJXMKU-CQSZACIVSA-N 324.344 1.678 0 40 DDAB CCO[C@@]1(C(=O)Nc2ccc(CCN(C)C)cc2)CCOC1 585140164 KDMAOZFHBHXCAW-KRWDZBQOSA-N 306.406 1.925 0 40 DDAB Cc1nnc(CN(C)C(=O)Nc2ccc(OC(C)C)nn2)s1 585101478 WQDXGSDMJMCRAE-UHFFFAOYSA-N 322.394 2.088 0 40 DDAB COC[C@@]1(CC(N)=O)CN(Cc2ccccc2Cl)CCO1 585275994 CSGRXQZUNZGZLA-OAHLLOKOSA-N 312.797 1.433 0 40 DDAB CCOC[C@H]1CN(C)C2(C1)CN(C(=O)c1ccc(C)cn1)C2 585093799 GHZVGHBBZZGYSG-CQSZACIVSA-N 303.406 1.573 0 40 DDAB C[C@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 46597880 GWKCMCKYJJMOME-JGVFFNPUSA-N 301.799 1.979 0 40 DDAB CS(=O)(=O)NCC(=O)Nc1ccccc1N1CCCCC1 67778052 NVLVADZRFJXDSK-UHFFFAOYSA-N 311.407 1.165 0 40 DDAB CCc1nnc2n1CCN(Cc1noc(-c3ccccc3)n1)C2 69737465 FRGMCBQTNMDUPK-UHFFFAOYSA-N 310.361 1.906 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@H]1CSc2ccccc21 92237632 YJARHYAWNMTBCX-IINYFYTJSA-N 309.412 1.952 0 40 DDAB CCN(CC)C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 40475921 WUXZLWDQVNJJOH-QGZVFWFLSA-N 319.449 1.206 0 40 DDAB Nc1nnc(SCC(=O)NC(=O)NC2CCCCC2)s1 3517423 FGKVUAYNMSFEMF-UHFFFAOYSA-N 315.424 1.371 0 40 DDAB CCCNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 5392192 RNYBWYOWUODRTH-UHFFFAOYSA-N 305.407 1.897 0 40 DDAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)[C@@H]1CC12CCC2 19286299 MEYJDUPBPXBMBS-SCRDCRAPSA-N 313.401 1.727 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19292369 NHYDVSQQPYRLGR-SWLSCSKDSA-N 316.405 1.007 0 40 DDAB CCn1cncc1C(=O)N1CC[C@@H](C(=O)NC2CCCC2)C1 19750432 APTHHJOEJFRZOC-GFCCVEGCSA-N 304.394 1.424 0 40 DDAB COC1=C(OC)/C(=C2\C(OC)=C(OC)C=C[N+]2=O)N(O)C=C1 204803840 XBAOQFWSBDCXHG-QXMHVHEDSA-N 309.298 1.732 0 40 DDAB COCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19586650 MWGWHBUBGYUYIY-UHFFFAOYSA-N 318.417 1.955 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCCn1cccn1 30170881 WXCUSXDVCAQSKE-CQSZACIVSA-N 318.377 1.437 0 40 DDAB Cc1cc(C)c2nc(N3CC[C@]4(C3)NC(=O)NC4=O)sc2c1 881997897 VWTWIGZMARAQFI-OAHLLOKOSA-N 316.386 1.701 0 40 DDAB CCCC[C@H](CC)Cn1c(NC)nc2c1c(=O)[nH]c(=O)n2C 36693369 NJQLASMFRJUOKC-JTQLQIEISA-N 307.398 1.681 0 40 DDAB COCc1cncc2c1CCN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1565553771 IROFYHZDNCXICV-UHFFFAOYSA-N 314.345 1.352 0 40 DDAB O=C(CN1CCC[C@@H](NC(=O)C2CC2)C1)NCc1ccccc1 1481522807 OGWYDYXNZXCZET-MRXNPFEDSA-N 315.417 1.293 0 40 DDAB COC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 5139148 UKJCIGZQIUFQJK-UHFFFAOYSA-N 318.720 1.409 0 40 DDAB CC(C)OCCCN[C@H](CC(=O)Nc1ccccc1O)C(=O)O 5258548 UOUHHTBBBUBIAW-CYBMUJFWSA-N 324.377 1.579 0 40 DDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 13146810 VWKRLMFBGUWAGA-AOOOYVTPSA-N 324.377 1.321 0 40 DDAB O=C(C1CC1)N1CC[C@H]2[C@@H](CC1)OCCN2Cc1ccncc1 2055746048 FJIDKYYMKYJVFD-DLBZAZTESA-N 315.417 1.683 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](NCc1ccncc1)CC2 2055745505 FHFFSLXWNDYQQQ-CYBMUJFWSA-N 314.389 1.855 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CCN(c2ncccn2)CC1 44442786 FBTFTRIMOONSGY-UHFFFAOYSA-N 322.372 1.175 0 40 DDAB O=C(NC[C@@]1(OCCO)CCOC1)c1cc2ccccc2[nH]1 617716739 VFXZRZJCDFCKTD-INIZCTEOSA-N 304.346 1.066 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 4044182 UUPIQDRVFLAETN-ZXFNITATSA-N 313.353 1.450 0 40 DDAB biogenic C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N(C)C)c2)C1 40087748 YDNPUEOLTCFHPL-GFCCVEGCSA-N 312.439 1.214 0 40 DDAB CCOC(=O)CCCNS(=O)(=O)c1ccc(OC)c(F)c1 30332412 HMUUMLFMWDOSJB-UHFFFAOYSA-N 319.354 1.456 0 40 DDAB CCCCn1nnnc1Cn1nc(-c2cccs2)oc1=O 30971687 ZEYGFTXNAFMYDP-UHFFFAOYSA-N 306.351 1.400 0 40 DDAB COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCCNC2=O)cc1 40521836 GDPYRBJGTMWYFC-SMDDNHRTSA-N 306.362 1.247 0 40 DDAB CN(CCCNC(=O)c1ccc2ccccc2n1)S(C)(=O)=O 40515434 YMGBIEHOHUNQPF-UHFFFAOYSA-N 321.402 1.246 0 40 DDAB CCOc1ccc(-n2ncc(C(=O)NC[C@H]3C[C@H]3C)c2C)nn1 40523801 NYLUAONSYBYTHU-ZYHUDNBSSA-N 315.377 1.755 0 40 DDAB COCCNc1nc(NCc2ccccn2)nc2nccnc12 31819657 LITDXSLTFUPRCC-UHFFFAOYSA-N 311.349 1.485 0 40 DDAB COC(=O)CCCNC(=O)CN1CCCc2cc(C)ccc21 16338935 CTJUPBMJCMLFBS-UHFFFAOYSA-N 304.390 1.817 0 40 DDAB CC(C)OC[C@@H](O)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 519388 FQWYZLYUAHEXFV-KKUMJFAQSA-N 306.406 1.053 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1OC 298710 OOAPTPBMRROFQK-JTQLQIEISA-N 301.364 1.161 0 40 DDAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(C=O)CC1 20734559 KGQYWPAOLKXSDW-OAHLLOKOSA-N 301.346 1.376 0 40 DDAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1O 6958688 FXMKGYQQJPCSFW-BAQGIRSFSA-N 309.709 1.546 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1ccc2c(c1)OCCO2 32520917 VPJWCOXXSMQFTL-UHFFFAOYSA-N 302.330 1.922 0 40 DDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O 7882116 PNVIOSVTZJPZIF-BMFZPTHFSA-N 316.401 1.891 0 40 DDAB CCOC(=O)c1cnc(N2CC[C@H](N3CC=CC3)C2)nc1C 102001107 DRGBGTRQYHESNX-ZDUSSCGKSA-N 302.378 1.412 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)n1C 21497823 ZENXZYLGYIJMNA-CYBMUJFWSA-N 318.398 1.982 0 40 DDAB COc1c2c(cc3c1[C@H](CC(=O)CC(C)=O)N(C)CC3)OCO2 490641 QJPOLHYFCZTYBZ-ZDUSSCGKSA-N 319.357 1.891 0 40 DDAB biogenic NC(=O)c1cc(NC(=O)CN2CCCCCC2=O)ccc1F 33063807 BTSFLBOSRPJIFI-UHFFFAOYSA-N 307.325 1.266 0 40 DDAB CC(=O)N1CCN(CCNC(=O)NCc2sccc2C)CC1 89702046 KZFRHLPGKVYMQC-UHFFFAOYSA-N 324.450 1.020 0 40 DDAB O=C(CSc1nncc(-c2ccccc2)n1)N1CCOCC1 12139008 AYLDBWDXAJQWND-UHFFFAOYSA-N 316.386 1.490 0 40 DDAB Cc1ccc2c(CC(=O)N3CC[C@H](C(N)=O)C3)coc2c1C 53891187 GRBOGZXMJYYYIP-LBPRGKRZSA-N 300.358 1.926 0 40 DDAB COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 42382594 FZXICYQLVUNZDB-HNNXBMFYSA-N 316.401 1.960 0 40 DDAB O=C(O)C1=C[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 100479333 HEPCWHJYWJAIFW-VIFPVBQESA-N 312.116 1.963 0 40 DDAB C[C@@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(N)=O 23522802 QFPCXCKVSFCAQM-LLVKDONJSA-N 324.340 1.510 0 40 DDAB CCCc1nc(CN2Cc3ccccc3C[C@H]2C(N)=O)no1 54983505 DVDWTYSXUWBAMV-ZDUSSCGKSA-N 300.362 1.434 0 40 DDAB c1ncc(O[C@@H]2C[C@H]3CN(Cc4ccsc4)CCN3C2)cn1 107746723 FAEGGLWVNGHJFD-LSDHHAIUSA-N 316.430 1.876 0 40 DDAB COc1ccccc1[C@@H]1c2c(C)nnc(O)c2Nc2nnnn21 10298395 JNNQHDROKMVTLL-GFCCVEGCSA-N 311.305 1.180 0 40 DDAB NC(=O)[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 108118892 VDPPBNHPPAZFEI-FMKPAKJESA-N 306.431 1.857 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C1CCCCC1 57419764 OCZIJLPPOJSBHT-KGLIPLIRSA-N 314.451 1.928 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCc2ccccc2Cl)CC1 57655118 WGNZEMZGPNJUSH-ZDUSSCGKSA-N 310.825 1.798 0 40 DDAB CC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(F)cc1 57879056 PRPGRQZOHWXVMN-INIZCTEOSA-N 319.380 1.710 0 40 DDAB COc1ccccc1C(=O)N1CCN(Cc2cc(C)no2)CC1 27232741 HGTVZKGGTAOTLV-UHFFFAOYSA-N 315.373 1.950 0 40 DDAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1O 10028879 DSOMVHOLRHPHOM-SECBINFHSA-N 320.301 1.881 0 40 DDAB O=C(COc1cccc(Cl)c1)NC[C@@H]1CCS(=O)(=O)C1 44719534 WZJUSFLHZLIPTI-JTQLQIEISA-N 317.794 1.270 0 40 DDAB COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 58196943 RDDZZMYHKTWLMH-UHFFFAOYSA-N 303.318 1.695 0 40 DDAB NC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 10268424 YHYPVZXLYIIQHW-MRXNPFEDSA-N 320.352 1.829 0 40 DDAB CN1CCC(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 58393634 LZDFMTCMQGXVCL-OAHLLOKOSA-N 317.437 1.151 0 40 DDAB O[C@H](CNC[C@H]1CNc2ccnn2C1)c1ccc(F)cc1F 58307287 BRXKJUJSJKYJJY-IINYFYTJSA-N 308.332 1.526 0 40 DDAB Cc1cccc(NC(=O)CCNC(=O)COC2CCCC2)n1 58365203 GDASOVVXOCNSNO-UHFFFAOYSA-N 305.378 1.794 0 40 DDAB O=C(O)[C@H]1CS[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1 62712258 FKZBGZZOOSFHGB-NXEZZACHSA-N 319.304 1.933 0 40 DDAB COCCOCCCNS(=O)(=O)c1ccc(Cl)cc1 48381798 TWSNCIWEEWXIHT-UHFFFAOYSA-N 307.799 1.671 0 40 DDAB O[C@H](COc1ccccc1F)Cn1nnc(-c2cccnc2)n1 69708183 QPNXCGZODWXWRW-LBPRGKRZSA-N 315.308 1.314 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(Br)cn2)C1 62914150 SQNAYRSFELQQMY-GFCCVEGCSA-N 313.151 1.781 0 40 DDAB CC[C@@H](C)C(=O)NS(=O)(=O)c1c(Cl)nc2ccccn12 49514605 FWWYFESKVPIIQX-MRVPVSSYSA-N 315.782 1.839 0 40 DDAB CN(C)[C@H](CNC(=O)C1CCN(C(N)=O)CC1)c1ccsc1 69460114 OAAPSDDHFMWWNV-CYBMUJFWSA-N 324.450 1.258 0 40 DDAB Cc1noc([C@H](C)N2CCN(CCc3ccccn3)CC2)n1 69464184 DCBRSVBLBBEAKJ-ZDUSSCGKSA-N 301.394 1.694 0 40 DDAB O=c1ccc(C(F)(F)F)cn1Cc1nnnn1-c1ccccc1 17936665 GFNALSHXPFISPR-UHFFFAOYSA-N 321.262 1.891 0 40 DDAB O=C(Cn1cnnn1)Nc1ccc(Cl)cc1-n1cccc1 65554697 NNWKZDZDUOBFLA-UHFFFAOYSA-N 302.725 1.756 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCc2cc(=O)n3ccccc3n2)c1 69810173 SHAJOGJKIOYTQB-KBPBESRZSA-N 311.389 1.939 0 40 DDAB CCOC(=O)Cn1nc(C)c(NC(=O)c2cccnc2)c1C 4694777 IYPKDBGZPYSWGP-UHFFFAOYSA-N 302.334 1.710 0 40 DDAB CCCc1nc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)no1 69917802 LOXZGHGBCUIJFA-KGLIPLIRSA-N 306.410 1.997 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCC(=O)NCc2ccco2)c1C 8704961 GHKKHYIGMVVRSX-UHFFFAOYSA-N 317.345 1.473 0 40 DDAB Nc1c(C(=O)O)nsc1C(=O)NCc1ccc2c(c1)OCO2 67172774 LYSUYXLFCFECJQ-UHFFFAOYSA-N 321.314 1.082 0 40 DDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCC1 7209658 UJXCKRNMYDWMNP-UHFFFAOYSA-N 307.394 1.690 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)C2CCCC2)c(=O)[nH]c1=O 7799599 MYYXEVQMZYOWFP-UHFFFAOYSA-N 308.382 1.072 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 8942911 SIMQRBCXJWYLSG-VXGBXAGGSA-N 320.389 1.677 0 40 DDAB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)NC(N)=O 9156840 KBCHNZFAXWRXEC-SNVBAGLBSA-N 304.375 1.607 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc(F)c(Cl)c1 19878743 JZHYXWSVIUVSLX-UHFFFAOYSA-N 322.789 1.090 0 40 DDAB Cc1ccc(NC(=O)NCc2cccnc2)cc1-n1nnnc1C 71795682 OFRIGNDQIDOMNM-UHFFFAOYSA-N 323.360 1.996 0 40 DDAB CC[C@](C)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(N)=O 89941962 LISZAYXGUZKICF-AWEZNQCLSA-N 307.785 1.664 0 40 DDAB Cc1ncsc1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 96419145 KPRZIKIATZFMNT-ZJUUUORDSA-N 302.421 1.537 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nnc(-c3ccco3)o1)CC2 71879323 RIZLDGQEYBPKDI-SNVBAGLBSA-N 300.322 1.334 0 40 DDAB NC(=O)[C@H](CNC(=O)Cc1ccsc1)Cc1ccc(F)cc1 71841570 QFMDLVREPUPLPC-ZDUSSCGKSA-N 320.389 1.890 0 40 DDAB Cc1cn2nc(N3CCC[C@@H](N4CCNC4=O)C3)sc2n1 71830517 UOCMPRGMIFXXTR-SNVBAGLBSA-N 306.395 1.093 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)NCCNc2ncccn2)c1 71914584 PHBMDBHKNWNIHP-UHFFFAOYSA-N 310.354 1.315 0 40 DDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(Cl)ccn1 71904049 YRIGSSPQXLCQRL-UHFFFAOYSA-N 304.799 1.678 0 40 DDAB CN(CC(=O)NCCCOC[C@@H]1CCOC1)Cc1ccccc1 71920816 GWLWGOIDQAYBRP-KRWDZBQOSA-N 320.433 1.678 0 40 DDAB CC(=O)N1CC(NC(=O)c2ccc(Br)cc2C)C1 72297845 XLYPWERXBLBBLM-UHFFFAOYSA-N 311.179 1.718 0 40 DDAB Cc1ncc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C(C)C)n1 72285177 MWSRVOVGJBBRJE-ZDUSSCGKSA-N 314.393 1.977 0 40 DDAB CCCCc1cc(NC(=O)Cn2nc3ccccn3c2=O)[nH]n1 97048946 RXENQRCHFPPYIM-UHFFFAOYSA-N 314.349 1.200 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(C)s1 97013408 ILLZDZZQYPIBJV-JTQLQIEISA-N 312.420 1.770 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)c1ccc2nncn2c1 87427226 SRRQJTZINCGLIS-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB Cc1cnc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)cn1 84258168 JOLSLTLZKRFJOH-SNVBAGLBSA-N 303.284 1.969 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)NC[C@@H]1CN2CCC[C@@H]2CO1 84452494 OTYVDVJFAVFVSZ-HZPDHXFCSA-N 316.401 1.143 0 40 DDAB COC[C@@H]1CN(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CCO1 95404480 FIPVQBQWJIDJJH-UBHSHLNASA-N 308.378 1.960 0 40 DDAB NC(=O)CCNC(=O)NCC1(c2ccccc2Cl)CCC1 95453657 YVVASENVFQYBDL-UHFFFAOYSA-N 309.797 1.936 0 40 DDAB CCn1nccc1/C=C/C(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 95438271 MZDNUMUUQROXBZ-BKBYIFCJSA-N 319.405 1.711 0 40 DDAB NC(=O)[C@H]1CC[C@@H](CNC(=O)CCc2ccc(F)cc2F)O1 95434045 TXGWZSUVHHMCML-WCQYABFASA-N 312.316 1.047 0 40 DDAB O=C1C[C@@H](COC(=O)c2sccc2Br)CN1 95451888 DVTUUSXUTRPVND-ZCFIWIBFSA-N 304.165 1.804 0 40 DDAB C[C@H]1CN(C)c2ccccc2N(C(=O)Cn2ccccc2=O)C1 78878398 HEKAQFWMXSLZLA-AWEZNQCLSA-N 311.385 1.967 0 40 DDAB CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(C3CCCC3)C[C@@H]12 306123987 BCLHKAHFBVMTMI-BPUTZDHNSA-N 310.438 1.371 0 40 DDAB O=c1[nH]c(N[C@@H]2C=C[C@H](CO)C2)nc2c1cnn2-c1ccccc1 95963408 YLBDIRVDHSGBHR-NWDGAFQWSA-N 323.356 1.458 0 40 DDAB CC(C)[C@@H](NC[C@@H](O)c1ccccc1F)C(=O)N1CCOCC1 95985490 BSPCJQOMTWBGKG-HZPDHXFCSA-N 324.396 1.332 0 40 DDAB CCc1nc(C)ncc1C(=O)N1CC(=O)N(C)c2ccccc21 89280339 DRSIZXPCPATLJD-UHFFFAOYSA-N 310.357 1.971 0 40 DDAB Cc1ccoc1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 78989077 PBIXLDQQFUHOTI-UHFFFAOYSA-N 320.389 1.689 0 40 DDAB Cn1ncc2c(=O)[nH]c(NCCCc3nc4ccccc4[nH]3)nc21 79047580 BWXBICNTGJZIQE-UHFFFAOYSA-N 323.360 1.578 0 40 DDAB COCCN1CCC(CNC(=O)c2ccc(OC)c(F)c2)CC1 89414380 OJROQPQWNFONNI-UHFFFAOYSA-N 324.396 1.923 0 40 DDAB CC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Oc1ccccc1F 75093852 MFOLGMDZPTVJTL-NWDGAFQWSA-N 308.353 1.578 0 40 DDAB Cc1ccc(Nc2[nH]nnc2C(=O)N2CCN(C)CC2)cc1C 67284509 SHYKPRRHHXIETB-UHFFFAOYSA-N 314.393 1.553 0 40 DDAB Cc1csc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 32611595 WARKVOLJMOVIGB-VIFPVBQESA-N 303.409 1.062 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1 4677052 RIQLMDXNQFFCCH-UONOGXRCSA-N 321.354 1.152 0 40 DDAB biogenic CCn1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)n1 72238910 YVOVBFREMKLUCY-UHFFFAOYSA-N 318.362 1.285 0 40 DDAB NS(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2)cs1 32842639 WNSZYELXULGBBB-UHFFFAOYSA-N 315.347 1.892 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218526055 RRFKYUCXGORNGX-IHRRRGAJSA-N 317.838 1.975 0 40 DDAB CC(C)CN1CCN(S(=O)(=O)c2cccc3nonc23)CC1 32578700 NPCHQHWVZVKLMI-UHFFFAOYSA-N 324.406 1.185 0 40 DDAB CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)C(=O)O)cc1 218581564 RAQRABVSSMLRLU-YDHLFZDLSA-N 311.403 1.179 0 40 DDAB NC[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218036009 IFEBLMVDUZKFJD-IKGGRYGDSA-N 317.410 1.564 0 40 DDAB COc1cccc(CC(=O)NC[C@H](C)N2CCOC[C@H]2C)c1 79002044 KMROHQQYPWNACR-UONOGXRCSA-N 306.406 1.463 0 40 DDAB COc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ncn1 79439098 HMKKEALYLZNMIB-NSHDSACASA-N 308.382 1.931 0 40 DDAB CC(C)Oc1ccc(C(=O)NCCCN2CCOCC2)cc1 47465910 BLBUAVZDELFTPV-UHFFFAOYSA-N 306.406 1.926 0 40 DDAB CCCN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 61782061 CTUUTBGUVYAVNH-UHFFFAOYSA-N 315.417 1.700 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 44868106 VXLUJKMIWNHXHI-UHFFFAOYSA-N 304.346 1.152 0 40 DDAB CCCC[C@H](N)C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 195554265 ODHVPDSZISEVSY-CVEARBPZSA-N 310.486 1.132 0 40 DDAB COC(=O)[C@@H](CNC(=O)Cc1cc(C)on1)c1ccc(F)cc1 192707796 IFHSJOAVMJCJPV-AWEZNQCLSA-N 320.320 1.738 0 40 DDAB CCOC(=O)[C@@]1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1 238797560 DGZNMZANSOFJFJ-HNNXBMFYSA-N 315.366 1.740 0 40 DDAB COC(=O)[C@H]1CCCCN1Cc1cn2c(C)cc(C)nc2n1 95432251 ZHXQXYSFMODBRX-CQSZACIVSA-N 302.378 1.874 0 40 DDAB O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccco1 96423116 YTOFNOCBUHYZSL-ZDUSSCGKSA-N 314.341 1.689 0 40 DDAB CS(=O)(=O)N1CCCC[C@@]12CCN(C(=O)c1ccccc1)C2 96203140 ZPLPAGTZCKFHKR-INIZCTEOSA-N 322.430 1.717 0 40 DDAB O=C1N(Cc2cccnc2)CC12CCN(C1CCOCC1)CC2 96202890 GUYXMKPGSBKHEL-UHFFFAOYSA-N 315.417 1.685 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C[C@H]1CCOC1 96184588 RPIPUWPBSGSKSH-BNOWGMLFSA-N 307.419 1.468 0 40 DDAB COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccccc1F 91690073 RMJZPHOLZRTRIG-NEPJUHHUSA-N 313.325 1.925 0 40 DDAB CN(CCO)C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 230196101 NLJHFKPKADHLMQ-GVDBMIGSSA-N 317.433 1.531 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccncc3)CC2)C1=O 96062939 CKWSBVNPMDXFSR-UHFFFAOYSA-N 317.389 1.183 0 40 DDAB C[C@@H](C1CC1)N(C(=O)Cn1ccnc1S(C)(=O)=O)C1CC1 96447800 ZOVUCHVFLSJOAM-JTQLQIEISA-N 311.407 1.076 0 40 DDAB O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)C[C@H]1CCCCO1 528543326 XGKLIZWXCMNRHP-TZMCWYRMSA-N 324.402 1.038 0 40 DDAB Cc1ccccc1C(=O)N1CCC[C@]1(C(N)=O)c1cnccn1 257296487 RDBSARPSULAEBA-QGZVFWFLSA-N 310.357 1.402 0 40 DDAB COCC(=O)N1CCN(c2ccc(Br)cn2)CC1 41348134 TWUDWZTZEWCCHQ-UHFFFAOYSA-N 314.183 1.139 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257269654 MQUIRFGDWWDJAW-LBPRGKRZSA-N 314.345 1.408 0 40 DDAB CN(C)CCNc1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 257303023 SFLNMQMRXOZHOL-ZDUSSCGKSA-N 312.439 1.152 0 40 DDAB NC(=O)CN1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257334177 YEWAPMZMPVSHSM-ILXRZTDVSA-N 301.390 1.346 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@@H](Cc3ccn[nH]3)C2)CC1 257343293 ZSHRZYLCGCXRGR-HNNXBMFYSA-N 320.437 1.038 0 40 DDAB Cc1cnccc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 274633714 XHNRNGSCXUPARW-UHFFFAOYSA-N 311.389 1.789 0 40 DDAB CC(C)O[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)C1(C)C 390833043 BBTHAWWYQSSKSW-OLZOCXBDSA-N 311.426 1.485 0 40 DDAB Cc1nccc(O[C@H]2CCCN(C(=O)c3ccc(O)nc3)C2)n1 575605528 QYDCJHIBYHIOFV-ZDUSSCGKSA-N 314.345 1.569 0 40 DDAB CCc1nc(C)c(CN2CCC[C@@]2(COC)CC(=O)NC)[nH]1 585278395 SLWXQKUKBXRNJF-INIZCTEOSA-N 308.426 1.398 0 40 DDAB COC(C)(C)C(=O)N1CCOC[C@](O)(COc2ccccc2)C1 585268994 GVENIZWNBRAVMU-KRWDZBQOSA-N 323.389 1.080 0 40 DDAB OCCN1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 56492370 PEWWVDZSKDRNKR-UHFFFAOYSA-N 318.339 1.738 0 40 DDAB Cc1ccc(CSCC(=O)NCCN2CCN(C)CC2)cc1 53717783 RPSIIFGLIOSLLQ-UHFFFAOYSA-N 321.490 1.592 0 40 DDAB CC(=O)N(C)CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 67361412 XADPRMPQKULCSK-QGZVFWFLSA-N 317.433 1.493 0 40 DDAB CC[C@](C)(NC(=O)c1cc(Br)cn1C)C(=O)OC 69628806 SUAPKNCMDFLUPJ-LBPRGKRZSA-N 317.183 1.859 0 40 DDAB O=C(C[C@H]1C=CCC1)Nc1cnn(CCN2CCOCC2)c1 69631479 OWECSPXMNISMOQ-AWEZNQCLSA-N 304.394 1.510 0 40 DDAB COCCN(C)C(=O)c1nc(C)n(-c2ccccc2Cl)n1 63938986 TUJKBXQALOVSJP-UHFFFAOYSA-N 308.769 1.948 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1ccsc1 89532539 OMPKAVNURWWJNM-LBPRGKRZSA-N 316.404 1.539 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1O 14188956 GQPZQKLPMIYYSU-QWRGUYRKSA-N 300.314 1.282 0 40 DDAB COc1cccc(OC)c1CN1C[C@@H]2CCCN2C[C@H]1CCO 19566986 AUGVTKHFMSHJRZ-LSDHHAIUSA-N 320.433 1.735 0 40 DDAB CCOC(=O)[C@@](NCc1ccccc1)(NC(C)=O)C(F)(F)F 19939197 HOXLXYGQMSDREP-CYBMUJFWSA-N 318.295 1.734 0 40 DDAB O=C1CC[C@H](C(=O)N2CC(Oc3nc4ccccc4s3)C2)N1 206656908 KRVYQCXWXHBFLE-LLVKDONJSA-N 317.370 1.165 0 40 DDAB Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)no1 240002211 PPAYXIXBAQIBAM-HAQNSBGRSA-N 302.334 1.893 0 40 DDAB Cn1cc([C@H]2CN([C@H](C(=O)O)c3ccc(F)cc3)CCO2)cn1 571691829 PCKFJYLNRFQMPH-CABCVRRESA-N 319.336 1.758 0 40 DDAB O=C(NC1CN(c2ccccn2)C1)c1ccc2nsnc2c1 1888890278 GUBRMHFDSUTPLM-UHFFFAOYSA-N 311.370 1.705 0 40 DDAB CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(O)nn1 32075322 BSIVTDHAKHHEJS-UHFFFAOYSA-N 305.309 1.862 0 40 DDAB CCN=c1[nH]c([C@@H]2CCCN2C(=O)COCC)c2sccn12 2037838628 RVDSWRRMBPTROL-NSHDSACASA-N 322.434 1.950 0 40 DDAB CCc1ccc(C(=O)N2Cc3cn(C)nc3[C@H](COC)C2)cn1 1614935703 VEXFPSRXEOLMHL-AWEZNQCLSA-N 314.389 1.764 0 40 DDAB O=C([C@@H]1CCOC1)N1CCn2c(-c3cccs3)cnc2C1 1614940848 PYDMOMXFLIINQU-LLVKDONJSA-N 303.387 1.990 0 40 DDAB CS(=O)(=O)N1CCCCC12CCN(C(=O)C1(F)CC1)CC2 1565552263 XUKSJPLIJBLMAF-UHFFFAOYSA-N 318.414 1.295 0 40 DDAB CCOCC(=O)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055734731 PIDYPQUIPCRDOS-GFCCVEGCSA-N 307.394 1.280 0 40 DDAB COCCN1CCO[C@@H]2CCN(C(=O)c3ccc(C)o3)CC[C@@H]21 2055746203 ZFQBJQUPGDORPM-LSDHHAIUSA-N 322.405 1.540 0 40 DDAB COc1nc(CNC(=O)/C=C/c2cccs2)nc(OC)n1 575607943 QZEYMHSKSGBJPU-AATRIKPKSA-N 306.347 1.280 0 40 DDAB O=c1cc2c(nn1CC1CN(c3ncnc4c3CCC4)C1)CCC2 585604368 JAJGVWKCHJGVOE-UHFFFAOYSA-N 323.400 1.147 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCN(c2ccncn2)CC1 1251195135 ZTLTXOHXSDOQPD-OAHLLOKOSA-N 314.389 1.039 0 40 DDAB COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1C 30335376 IQCKJTQJLLQYTG-UHFFFAOYSA-N 309.391 1.569 0 40 DDAB COc1ccc([C@H](C)NC(=O)Cn2ccc(C(=O)O)n2)cc1 20320505 UESGMKTWCSBYNZ-JTQLQIEISA-N 303.318 1.467 0 40 DDAB O=C(C1CCNCC1)N1CCN(c2ccccc2Cl)CC1 20425770 JAQZRRULJNIJJD-UHFFFAOYSA-N 307.825 1.988 0 40 DDAB CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCC(N)CC1 45796219 WDMVSURPZQYWFP-UHFFFAOYSA-N 305.403 1.583 0 40 DDAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)c1 51356548 IRVGKJIAONJZLV-UHFFFAOYSA-N 319.317 1.531 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)/C=C/c1cccnc1 101178314 GHWIIJPRBAYXOY-ZGWDUCBGSA-N 300.358 1.799 0 40 DDAB CS(=O)(=O)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 2759007 AEPIFBZZXIPHDP-UHFFFAOYSA-N 301.748 1.205 0 40 DDAB CC(=O)N1CCN([C@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20726070 KBUCYBOBPSLIQY-INIZCTEOSA-N 315.373 1.766 0 40 DDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 6540588 UZEMUSWPGBQOHV-LLVKDONJSA-N 314.407 1.230 0 40 DDAB O=C(NC1CCC2(CC1)OCCO2)c1cn2ccccc2n1 46191224 VOGCNWWXPZEFAA-UHFFFAOYSA-N 301.346 1.750 0 40 DDAB O=C(O)COc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 8906976 MFUJSYWVIKUWKE-OLZOCXBDSA-N 321.329 1.980 0 40 DDAB Cc1cnc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cn1 29901739 HDCOFPSGSCHEQU-NSHDSACASA-N 300.366 1.594 0 40 DDAB NC(=O)[C@@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 52941948 DQEWRWYPWDQCPE-SNVBAGLBSA-N 306.753 1.697 0 40 DDAB Cc1ccc(C)c(OCCC(=O)NCCNC(=O)C2CC2)c1 41597526 DZSNCFUMOZHBJM-UHFFFAOYSA-N 304.390 1.715 0 40 DDAB Cc1noc(CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)n1 42245587 OYOOQLWNUYYPNZ-MRVPVSSYSA-N 304.281 1.874 0 40 DDAB CC[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(OC)cc1 23649909 AJZZOUDOWOBZQK-ZDUSSCGKSA-N 303.362 1.871 0 40 DDAB CN(CC(=O)N(Cc1ccncc1)C1CC1)C(=O)c1ccco1 47630137 ACTWXARUUBSTGN-UHFFFAOYSA-N 313.357 1.938 0 40 DDAB Cc1cnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 12541088 OFSDSKZDQDYDHS-DCAQKATOSA-N 321.402 1.954 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C 24557657 MHDUPYOGAQMOLP-UHFFFAOYSA-N 320.780 1.700 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)Nc1nnc(-c2ccccn2)s1 89938253 BIJSCJXGZFJAFF-JTQLQIEISA-N 318.406 1.768 0 40 DDAB COC(=O)CNc1c(C)cccc1C(=O)N1CCC(O)CC1 55843126 BUDKSDGRJKEZDO-UHFFFAOYSA-N 306.362 1.177 0 40 DDAB C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 107142684 WCIONPLTLWXKGF-QPUJVOFHSA-N 306.790 1.708 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)CCSc1nnnn1C 56130263 SDQWETUTKJYABA-LLVKDONJSA-N 305.407 1.878 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccccc2-n2ccnc2)CCO1 56894983 TWUMFXUKPUISOE-CYBMUJFWSA-N 300.362 1.803 0 40 DDAB COc1cccc(C(=O)NCCCn2ncccc2=O)c1OC 23241705 CKSPWPUYLCRHGU-UHFFFAOYSA-N 317.345 1.081 0 40 DDAB O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)C1CCC1 76477201 YRZAUGVSSCIMSM-GFCCVEGCSA-N 323.418 1.859 0 40 DDAB C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@H]1O 108502009 IMSMAAONKGVSKI-GZMMTYOYSA-N 307.774 1.871 0 40 DDAB CC[C@H](C)[C@H](NC(=O)CN(C)Cc1ccccc1)C(=O)OC 58010041 DYZMSWKCNPMBPP-BBRMVZONSA-N 306.406 1.822 0 40 DDAB CCc1noc(CN(C)S(=O)(=O)c2cc(C)ccc2F)n1 58265093 TXUNXRWKUBSZQQ-UHFFFAOYSA-N 313.354 1.900 0 40 DDAB CCN(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)(C)C 58201629 JJLQKSJWHOQMLA-UHFFFAOYSA-N 307.394 1.838 0 40 DDAB O=c1ccccn1Cc1nc2cc(Cl)ccc2n1CCO 44944413 HEBOJCBGOBEGKC-UHFFFAOYSA-N 303.749 1.892 0 40 DDAB NC(=O)[C@H]1CCN(CCOc2ccc(Br)cc2)C1 48034360 UQFMMBMDJADUFE-JTQLQIEISA-N 313.195 1.635 0 40 DDAB CCN1C[C@H](C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1=O 48174503 MRZFBBXIHLGDGB-HUUCEWRRSA-N 315.417 1.498 0 40 DDAB CC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 20140168 DRKRGZLVVURSDW-HNNXBMFYSA-N 322.457 1.331 0 40 DDAB Cn1cc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1=O 48303402 AEZAHCULMZJKAE-UHFFFAOYSA-N 300.314 1.087 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCn1ccnc1 48353943 UKYGQUCXUQBXMD-DOMZBBRYSA-N 301.346 1.618 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1cccc(S(C)(=O)=O)c1 12800440 VNVPWIXMKVQILU-UHFFFAOYSA-N 308.359 1.876 0 40 DDAB CC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8395249 FWQHKGOFDHYOKC-CCUNJIBTSA-N 310.350 1.008 0 40 DDAB COc1ccc(COC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 13148710 NGEJZYVZVMATJU-OFQRWUPVSA-N 309.406 1.682 0 40 DDAB CN1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 69433842 MJAPJHMOEINKCV-LLVKDONJSA-N 315.439 1.070 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCCN2C(=O)NC(C)(C)C2=O)c1 69490823 CNDMAIIPHALWQV-NEPJUHHUSA-N 307.398 1.061 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)c2ccccc2O1 69441181 XMNDLPFHIIQOBW-AWEZNQCLSA-N 313.313 1.366 0 40 DDAB COc1cc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)ccc1O 13771034 LEBNVSHADGGORE-XFFZJAGNSA-N 323.326 1.912 0 40 DDAB O=C(NCCc1cccnc1)c1ccccc1N1CCOCC1 69532410 QYNXWXHDEJJXLK-UHFFFAOYSA-N 311.385 1.891 0 40 DDAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)N(C)C)cn1 69581370 USDOSURZIAFOSL-SECBINFHSA-N 307.379 1.240 0 40 DDAB COCCN(C)CCNC(=O)C1(c2cccc(F)c2)CCC1 69534940 CJCPXUPEPLIJBO-UHFFFAOYSA-N 308.397 1.942 0 40 DDAB Cc1cc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n2ncnc2n1 69877261 PXBLCGZZJZOSIS-CYBMUJFWSA-N 324.392 1.328 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)NC1CCSCC1 69876445 QFFJEAMPUHKQTD-UHFFFAOYSA-N 303.428 1.706 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CNC[C@H]2CN(C)CCO2)cc1C 69870110 WPFIJCXGBFZPHF-RDJZCZTQSA-N 319.449 1.401 0 40 DDAB CC(C)CCNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O 65552488 OMSDMDFVVAQUFK-UHFFFAOYSA-N 320.436 1.196 0 40 DDAB CC[C@H](C(=O)N[C@H](C)C(C)=O)N1C(=O)c2ccccc2C1=O 9193569 CYAGOALCAMFRTG-NOZJJQNGSA-N 302.330 1.155 0 40 DDAB O=C(COC(=O)c1cc(Br)ccc1O)NC1CC1 4808109 YDJCLKLRXAQWNW-UHFFFAOYSA-N 314.135 1.590 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 67618549 HKIVTEHPCPQANY-GDBMZVCRSA-N 316.401 1.850 0 40 DDAB CCCNC(=O)[C@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 15807353 JEYIYAJFQSWCGC-JTQLQIEISA-N 302.330 1.600 0 40 DDAB CC1(C)NC(=O)N(CC(=O)Nc2nc3ccccc3s2)C1=O 8936816 FEDMSSPKRCEFRX-UHFFFAOYSA-N 318.358 1.565 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)N(C2=CCCCC2)C2CC2)n1 9349349 XJKWINMOQPPKGT-UHFFFAOYSA-N 320.418 1.893 0 40 DDAB O=C1N[C@H](c2ccc(OC(F)F)c(Cl)c2)N2CCOC[C@@H]12 93884181 FYVDQSBRUJDXID-ONGXEEELSA-N 318.707 1.771 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)N(C)C[C@@H]1CCN(C)C1 84012149 HLMKGPZFUQMCGF-CQSZACIVSA-N 307.442 1.173 0 40 DDAB CS(=O)(=O)c1ccccc1N1CCC[C@@]2(CNC(=O)C2)C1 78569287 GVTBMUPUIKRNMA-OAHLLOKOSA-N 308.403 1.197 0 40 DDAB O=C1CCN(C(=O)c2cccnc2N2CCCCC2)CCN1 71839517 ZIHOPCLPGFGZGS-UHFFFAOYSA-N 302.378 1.034 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2C)C1 71870627 MVMJETVUTADWGI-ZIAGYGMSSA-N 322.434 1.276 0 40 DDAB Cc1ccccc1CS(=O)(=O)N[C@@H](C)CN1CCCC1=O 71897412 NDGLNIFAGWLNMH-ZDUSSCGKSA-N 310.419 1.425 0 40 DDAB CN(C)C[C@H]1CCCCN1C(=O)CNC(=O)NC1CCCCC1 71846971 ABLQPSROEVBQNV-OAHLLOKOSA-N 324.469 1.561 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(=O)O)CC2=O)cc1 96999747 NWBRITYGVGLIII-JTQLQIEISA-N 320.345 1.028 0 40 DDAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)ccnc2n(C)c1=O 9698378 FGMVWFFYSYOBIG-UHFFFAOYSA-N 301.733 1.953 0 40 DDAB COc1ccccc1[C@@H](NC(=O)NC1CC1)c1noc(C)n1 72285600 CVCUJJFLUCQFKM-CYBMUJFWSA-N 302.334 1.938 0 40 DDAB CCCCc1nc(CN2CCO[C@@H](Cn3cncn3)C2)cs1 72253396 DYLXYLZGWBZFFV-CQSZACIVSA-N 321.450 1.978 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1 84205390 UJTIFYFPEIORAL-GJZGRUSLSA-N 308.447 1.657 0 40 DDAB CN(C)CCC1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 97114655 WGYSAZOSOILKAU-CQSZACIVSA-N 304.456 1.016 0 40 DDAB Cc1noc(NC(=O)c2cc(Br)c(C)[nH]c2=O)n1 97102390 ZYDPRTAZBAPHQT-UHFFFAOYSA-N 313.111 1.390 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N1CCCC[C@H]1C(=O)O 78869510 HSPVWIVVYPJCRP-NSHDSACASA-N 315.320 1.903 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)CC1CC1 306132804 LSNDDMSJFRELAL-SNPRPXQTSA-N 320.433 1.566 0 40 DDAB Cc1nnc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)s1 95467295 SEKCCJCQOWXTQR-SECBINFHSA-N 314.374 1.918 0 40 DDAB Cc1nnnn1CC(=O)NCc1ccc(F)cc1C(F)(F)F 95412986 CXSCZQPSUJTXTD-UHFFFAOYSA-N 317.246 1.456 0 40 DDAB CCCN(CCC)C(=O)CCCC(=O)NC[C@H](C)C(=O)O 95425324 MXGPNAFWJWOCOX-LBPRGKRZSA-N 300.399 1.642 0 40 DDAB CN1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2C1 95466078 RRQZLQGGVKCGNC-DGCLKSJQSA-N 303.362 1.973 0 40 DDAB Cc1ccn2cc(C(=O)N[C@H]3CCc4nnc(C)n4C3)nc2c1 95957935 VFGYSKQRLLAYEM-LBPRGKRZSA-N 310.361 1.287 0 40 DDAB CC1CCN(C(=O)COC(=O)[C@@H](C2CC2)N2CCCC2)CC1 95946238 UUVQFOQENSJJTR-MRXNPFEDSA-N 308.422 1.663 0 40 DDAB O=C(N[C@@H]1C=CCCC1)N[C@H]1CS(=O)(=O)c2ccccc21 95941501 SFAOXALCVNRDDA-YPMHNXCESA-N 306.387 1.923 0 40 DDAB CCN(CC)c1ccc(C(=O)N[C@H]2CCN(C(N)=O)C2)cc1 95992071 XONZKAVCSIWYFT-ZDUSSCGKSA-N 304.394 1.416 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1nc2ccccc2s1 9911830 JNQDJUGJPGWTPU-UHFFFAOYSA-N 306.391 1.303 0 40 DDAB O=C(c1cccnc1OCC(F)F)N1CCc2[nH]ncc2C1 89694595 VJAHZTLUIBZURQ-UHFFFAOYSA-N 308.288 1.647 0 40 DDAB CN(C)C(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 306138744 SGFKWHPFFFBKAY-ZDUSSCGKSA-N 307.419 1.840 0 40 DDAB O=C(O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 32917849 NCVSCFRIKRANCX-UHFFFAOYSA-N 323.370 1.234 0 40 DDAB C[C@@H]1Oc2ccc(S(=O)(=O)NC3CCCC3)cc2NC1=O 71542764 SISFDBMTUCBZTO-VIFPVBQESA-N 310.375 1.627 0 40 DDAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C(N)=O)CC1 36226582 HHOMFMMELDHXQQ-UHFFFAOYSA-N 313.357 1.988 0 40 DDAB Cc1c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 11865458 WLUDKAJBUMWIEQ-SECBINFHSA-N 319.313 1.247 0 40 DDAB biogenic COC[C@@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218471295 BPXWDRQVNSJUND-GVXVVHGQSA-N 302.323 1.054 0 40 DDAB O=C1CCCC[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)N1 560872867 VFRHZGGDLGWRFS-ZNMIVQPWSA-N 302.374 1.380 0 40 DDAB CS(=O)(=O)N1CCC[C@H](C(=O)OCCc2cccs2)C1 78442601 ABOBKILLMICNDW-NSHDSACASA-N 317.432 1.505 0 40 DDAB COc1cc2c(cc1OC)CN([C@@H]1CCN(C3CC3)C1=O)CC2 336871134 LJWYQKMHYXXSBH-OAHLLOKOSA-N 316.401 1.825 0 40 DDAB c1nc(NCc2cc3n(n2)CCCNC3)c2sccc2n1 82160731 XKZQDSUSSOKGTB-UHFFFAOYSA-N 300.391 1.993 0 40 DDAB Cn1nccc1CNc1cccc(C(=O)N2CCC[C@@H]2CO)n1 190205925 WOOVNGQHIYRVKR-CYBMUJFWSA-N 315.377 1.024 0 40 DDAB CCc1nnc2sc(-c3cccc(OCC(N)=O)c3)nn12 226298182 NWMBCTJMUUMBCO-UHFFFAOYSA-N 303.347 1.279 0 40 DDAB CNS(=O)(=O)c1cccc(CN[C@@H]2CCCSC2)c1 195558476 MJKMSBBWONWBQG-GFCCVEGCSA-N 300.449 1.580 0 40 DDAB CCOc1ccccc1CN1CCN(S(C)(=O)=O)[C@H](C)C1 225685151 UMEXXQVGNZEZSB-CYBMUJFWSA-N 312.435 1.551 0 40 DDAB Cc1ccc(N(C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1C 226076041 MJLFCEFNQAIXQP-UHFFFAOYSA-N 324.446 1.938 0 40 DDAB COC(=O)/C=C(/CCCOC(=O)C1=CCCC=C1)C(=O)OC 222374686 JCUGDALCISWTJO-QBFSEMIESA-N 308.330 1.859 0 40 DDAB Cc1ccc(CNC(=O)CN2CCN(C3CCC3)CC2)cc1 264961574 FYXPVWTXEBPAMC-UHFFFAOYSA-N 301.434 1.781 0 40 DDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)nc1 238810981 AHNIBFMJQOLNQW-CYBMUJFWSA-N 319.386 1.627 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)nn1 96043139 IMTCTKOKDBUFPR-MJBXVCDLSA-N 304.394 1.293 0 40 DDAB O=C(c1cscn1)N1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 96158131 GBMATWFBSRUGJP-CJNGLKHVSA-N 321.446 1.860 0 40 DDAB CS(=O)(=O)[C@H](CO)[C@H](N)c1ccc(-c2ccccc2)cc1 96525034 GURMROZWJNLREB-HZPDHXFCSA-N 305.399 1.759 0 40 DDAB COC[C@H](C)NC(=O)CNC(=O)c1ccc(OC(C)C)cc1 143528431 BZFNLDNHGKCTTB-LBPRGKRZSA-N 308.378 1.355 0 40 DDAB O=C1[C@H]2CN(Cc3ccccn3)C[C@@H]2CCN1Cc1cccnc1 96054638 HRELOQWIDAZNFM-WMZOPIPTSA-N 322.412 1.957 0 40 DDAB Cn1nnc2c1[C@@H](COCc1cccnc1)CN(CC1CC1)C2 96060734 VEJOCBXKZZOLTK-OAHLLOKOSA-N 313.405 1.736 0 40 DDAB CCc1nnc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)o1 96409782 LJTXFBCEJLVGCQ-HNNXBMFYSA-N 318.333 1.809 0 40 DDAB Cc1cccc2nc(CNS(=O)(=O)CC[C@H]3CCCO3)cn12 96472625 UEHQAHGRYPXVMZ-CQSZACIVSA-N 323.418 1.631 0 40 DDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCCN(CC1CC1)C1CC1 95400959 HAWKUIGVCIJIHB-XHSDSOJGSA-N 321.465 1.974 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4cc(C)on4)C[C@H]3O2)n1 96217109 KTLPMLUAYPBFHE-IACUBPJLSA-N 304.350 1.506 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(Cc4cccnc4)C[C@@H]3C2=O)cn1 96249155 MVCKRQMVDQOPSS-ZBFHGGJFSA-N 311.389 1.300 0 40 DDAB Cc1nn(C(C)(C)C)c(=O)n1Cc1nnnn1-c1ccccc1 96499908 QEFJWMGQNXJEAC-UHFFFAOYSA-N 313.365 1.132 0 40 DDAB COCCN1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 96250817 JVVILNMTFZKQSX-BRWVUGGUSA-N 306.406 1.724 0 40 DDAB CN(C)C(=O)C[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 247948109 BIVLRGBJJYNXAU-CQSZACIVSA-N 304.419 1.980 0 40 DDAB COC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242400338 AUWZGLJRCSXNJT-BBWFWOEESA-N 317.410 1.970 0 40 DDAB COC(=O)c1cn([C@H]2CCC[C@@H](C(=O)O)C2)cc2c(O)nnc1-2 524735104 VVOMHAGITZOHII-BDAKNGLRSA-N 319.317 1.691 0 40 DDAB CC(C)(C)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c1 257332155 XVYLIFHPFFNURN-BPLDGKMQSA-N 307.390 1.694 0 40 DDAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1=O 257341494 ZKOMQQCFVUMCSV-JTOWHCCKSA-N 319.449 1.473 0 40 DDAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 257302715 SDZHBRHMCKCZTE-CYBMUJFWSA-N 301.394 1.965 0 40 DDAB CN(C)Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1 257305012 SOBSFDCLGQJJDH-MRXNPFEDSA-N 314.389 1.685 0 40 DDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2c[nH]cn2)n1 257200710 AEOUWSNOOJAOEY-OAHLLOKOSA-N 300.410 1.907 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 257224508 FCCQBUQKNMMMBT-HNNXBMFYSA-N 315.377 1.393 0 40 DDAB Cc1ccc(-n2nc(C)c(C(=O)NC[C@H]3CCOC3)n2)c(C)c1 41374120 GPSPSISHPWEVGV-CQSZACIVSA-N 314.389 1.959 0 40 DDAB O=C1CO[C@@H]2CN(c3cnccn3)C[C@H]2N1Cc1ccccc1 257244462 ILKWOROOGQQCPG-HUUCEWRRSA-N 310.357 1.093 0 40 DDAB Cc1cccc(C[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257212303 CCTJQDVEJRHSBH-OAHLLOKOSA-N 315.417 1.794 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCn3nccc3C)CCO2)n1 257322633 WGTPYLCYPWBXMX-AWEZNQCLSA-N 317.393 1.224 0 40 DDAB O=C(c1cccc([C@H]2CCOC2)c1)N1CC[C@@](F)(C(=O)O)C1 263360965 UDYFVSIHYQFTRN-BBRMVZONSA-N 307.321 1.829 0 40 DDAB CC1(C)CC[C@H](CNC(=O)c2cccc(OCC(=O)O)c2)O1 263575802 POZZLBXNEMMYCE-CYBMUJFWSA-N 307.346 1.837 0 40 DDAB Cc1cc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)nn1C 575606138 DTAPHSDNXXKZSS-UHFFFAOYSA-N 310.361 1.454 0 40 DDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](O)C1 43851461 FXZKBRKFQXRLRY-VIFPVBQESA-N 300.261 1.997 0 40 DDAB O=C(NCCNc1ncccn1)[C@@H]1Cc2cc(Cl)ccc2O1 47105998 BCTBWZHRSCWULA-ZDUSSCGKSA-N 318.764 1.662 0 40 DDAB O=C(CNc1ccccc1Cl)NC[C@@H]1CCS(=O)(=O)C1 49478431 LQJVJDKXYWIYGO-JTQLQIEISA-N 316.810 1.303 0 40 DDAB Cc1cnn(CCC(=O)N(C)CC(=O)Nc2cccc(C)n2)c1 69484011 FHPBQZXXYKZGLL-UHFFFAOYSA-N 315.377 1.382 0 40 DDAB Cc1cnn(C[C@H](C)N[C@H](C)C(=O)NCCc2cccs2)c1 69778953 DMPYIHRSXATGBL-UONOGXRCSA-N 320.462 1.979 0 40 DDAB C[C@H]1CCC[C@@H](CO)N1C(=O)CCNC(=O)OC(C)(C)C 89927463 QCMKHKSDMNTHSL-RYUDHWBXSA-N 300.399 1.663 0 40 DDAB Cc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 11615538 VGGXWCCYRPQPOT-UHFFFAOYSA-N 313.360 1.419 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 13119526 ITENAFXBHSLJTK-CRWXNKLISA-N 305.330 1.820 0 40 DDAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(N)=O)C1=O 16255369 QPDRTLIOQNDNRJ-LBPRGKRZSA-N 316.144 1.246 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)Nc1cc(-c2ccccc2)on1 154854703 HJUILDTXIQYHCG-JTQLQIEISA-N 300.318 1.694 0 40 DDAB COc1cccc(C(=O)NCCS(=O)(=O)NCC(C)C)c1 5301861 MJGCAVSVPYQTAQ-UHFFFAOYSA-N 314.407 1.000 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@H](n2cc(C3CC3)nn2)C1 245015294 LUPVJERVGCTNEN-NSHDSACASA-N 324.431 1.853 0 40 DDAB Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1 18231112 IYOGSYDMURNZGY-CHWSQXEVSA-N 315.373 1.894 0 40 DDAB CCn1c(=O)c2c(nc(NC3CCCCC3)n2C)n(C)c1=O 36693359 NJLPWNMCZNIEJT-UHFFFAOYSA-N 305.382 1.198 0 40 DDAB O=c1c2ccccc2ncn1CC1CCN([C@H]2CCOC2)CC1 1776008698 MUXUHNIZHGFXRS-HNNXBMFYSA-N 313.401 1.897 0 40 DDAB CC(C)(C)OC(=O)N(CC(=O)NCC(=O)O)c1ccccc1 64219707 CKOUZSCHLHWPJU-UHFFFAOYSA-N 308.334 1.629 0 40 DDAB O=C(CCF)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 1565547906 PQIKCKFWVPSECN-YCPHGPKFSA-N 308.353 1.716 0 40 DDAB O=C(N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21)C1(F)CC1 1565547926 TXUQJSCQSUFGMS-SGMGOOAPSA-N 306.337 1.721 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc(Cl)cc1 4315976 JHOUIQOHEORBOG-UHFFFAOYSA-N 306.753 1.682 0 40 DDAB O=S1(=O)c2ccccc2[C@@H]2Sc3ncnc4ncn(c34)[C@H]21 9142755 PXNSENBHHUVNOU-GWCFXTLKSA-N 316.367 1.959 0 40 DDAB Cc1cnc(C)c(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 2086884751 UFEADWHVZMAJDL-GFCCVEGCSA-N 310.423 1.144 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3ncc(Cl)cn3)C2)nc1 2086884411 OJPLXHLNLXKCLX-SNVBAGLBSA-N 307.741 1.586 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)NCC(=O)N1CCCCC1 40093773 WMEOKEKTYSQVNY-UHFFFAOYSA-N 317.455 1.098 0 40 DDAB Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)C2CC2)c(C)c1 40087092 FRGBYFXTBYOBID-UHFFFAOYSA-N 317.389 1.193 0 40 DDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1noc(-c2ccc(C)cc2)n1 40528929 YLFJHDBPBSYOJK-JTQLQIEISA-N 323.374 1.094 0 40 DDAB CCc1nc2ccccc2n1CC(=O)NC(C)(C)C(=O)OC 40508950 CJXUBDYGOJGGEA-UHFFFAOYSA-N 303.362 1.667 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 479639 XFDILOCVJXWQKU-UHFFFAOYSA-N 324.446 1.832 0 40 DDAB CC[C@H](c1nnc(SCC(=O)N2CCOCC2)o1)N(C)C 6939993 SXKBQJGNVGKHTH-SNVBAGLBSA-N 314.411 1.033 0 40 DDAB CCCCC(=O)N1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 101142410 JVHBVITZCAUVQD-UHFFFAOYSA-N 322.409 1.826 0 40 DDAB Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)[nH]n2)cc1 32145739 MNVUDTCDEFDPMP-UHFFFAOYSA-N 314.389 1.447 0 40 DDAB C[C@H]1COCCN1C(=O)CCn1nc(-c2cccs2)oc1=O 46256013 MLPUOVBHIZVKJJ-JTQLQIEISA-N 323.374 1.202 0 40 DDAB O=CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 6453236 ULQAASGAXOQTDF-UHFFFAOYSA-N 323.201 1.456 0 40 DDAB CCNc1ncc(S(=O)(=O)NCCOCC)cc1Cl 81678975 YENBDQQZWGMAJN-UHFFFAOYSA-N 307.803 1.482 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 102664033 QYFGPQIWWMPKDY-NUNXZZDCSA-N 302.374 1.052 0 40 DDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCc1cccs1 102916739 HHDPQRORMGPBLC-CHWSQXEVSA-N 320.414 1.582 0 40 DDAB COC(=O)Cc1ccc(NC(=S)N2CCC(O)CC2)cc1 539581 AGINJGYNOFTBTP-UHFFFAOYSA-N 308.403 1.556 0 40 DDAB CC1=NNC(=O)[C@H]1C(c1ccccc1Cl)[C@@H]1C(=O)NN=C1C 100922666 HJKZSTIQINGLLG-VXGBXAGGSA-N 318.764 1.667 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)cc2)NC(=O)NC1 57879063 QRHDVLALCIGBRG-UHFFFAOYSA-N 321.352 1.388 0 40 DDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnn1C 23193609 GFYSHWVCVVALLQ-ZDUSSCGKSA-N 320.418 1.552 0 40 DDAB COC(=O)[C@@]12N=NC[C@]1(C(=O)OC)[C@H]1[C@H]3[C@@H]4C=C[C@@H]5[C@H]4[C@H]1[C@H]2[C@@H]35 104287326 MIVOYEFKTASFLI-GIUAXERXSA-N 314.341 1.077 0 40 DDAB O=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1 12530918 ZECXQCFUUUSPPY-UHFFFAOYSA-N 309.369 1.888 0 40 DDAB CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1 59213756 VHQRPCUSKCMDRB-GJZGRUSLSA-N 306.406 1.650 0 40 DDAB COC(=O)c1cc(NC(=O)[C@H]2CCOC2)cc(C(=O)OC)c1 69313742 QBUWSBQYWHPRRO-VIFPVBQESA-N 307.302 1.235 0 40 DDAB COC1CCN(C(=O)CCn2cnc3sccc3c2=O)CC1 55208927 VHDDYKOKHPAIMG-UHFFFAOYSA-N 321.402 1.486 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 25046872 GUWAFZYLIZAMSI-VHSXEESVSA-N 302.330 1.807 0 40 DDAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)CC)cc1 175676055 CNBFJYKSMYJGSS-UHFFFAOYSA-N 300.380 1.305 0 40 DDAB Cc1cc(C)c(C(=O)COC(=O)CN2C(=O)CCC2=O)cc1C 24714837 GEYZRYLMHZMXIJ-UHFFFAOYSA-N 317.341 1.487 0 40 DDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(C(=O)OC)c1 25261765 XZKBPRAXHOCELT-SKDRFNHKSA-N 307.350 1.495 0 40 DDAB Nc1nccnc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 25845529 SWEZDVGSPXBEDQ-UHFFFAOYSA-N 322.372 1.955 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107519983 QSDODDLEAUSGME-SJORKVTESA-N 324.384 1.202 0 40 DDAB NC1=N[C@@H](c2cccc(O)c2)n2c(nc(=O)c3ccccc32)N1 22239108 LGUXYPOTDVEXPQ-CYBMUJFWSA-N 307.313 1.389 0 40 DDAB COCCCn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O 2091295 JKHPSEOGPAXJHQ-UHFFFAOYSA-N 317.345 1.932 0 40 DDAB biogenic C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ncccn3n2)C1 10073148 ADTXXWCOWLVGPF-GHMZBOCLSA-N 305.407 1.721 0 40 DDAB Cc1nc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cs1 44871821 WJNGUMPGKOLNHM-UHFFFAOYSA-N 300.347 1.252 0 40 DDAB CC(C)COC(=O)N1CCN(C(=O)c2cccnc2S)CC1 58231503 HDSRSCDOEBTDSL-UHFFFAOYSA-N 323.418 1.921 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1cccc(F)c1 58229552 RFDLDHZVLALGBD-NSHDSACASA-N 315.366 1.146 0 40 DDAB CC[C@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)CCO1 44968328 YEZZAEOPNMEPKH-AWEZNQCLSA-N 319.409 1.266 0 40 DDAB C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccncc1 44909914 ULGGPCYERIEOPG-ZDUSSCGKSA-N 312.377 1.464 0 40 DDAB Cc1nn(C)c(C)c1-c1nn2c(-c3cnccn3)nnc2s1 44900698 ARCTXDTUAYPQOE-UHFFFAOYSA-N 312.362 1.660 0 40 DDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 10889373 JAFAVCTXWWLPHI-BXKDBHETSA-N 311.359 1.228 0 40 DDAB NC(=O)CN1CCC(NC(=O)c2ccc(Cl)s2)CC1 48287502 RFQKFLAIXSTKQX-UHFFFAOYSA-N 301.799 1.081 0 40 DDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccco2)c1 48235641 PLBJRGLVZSOELN-NSHDSACASA-N 322.386 1.987 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NC(C)C)nc2n1 3466919 KITSTSIQXQUXGO-UHFFFAOYSA-N 322.394 1.067 0 40 DDAB O=C(c1n[nH]c2c1CCC2)N1CCN([C@H]2CCSC2)CC1 80433839 APAWQVAJXOGZPL-NSHDSACASA-N 306.435 1.162 0 40 DDAB CCCNC(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1C 6004074 YMFMYBKNUMUHTD-UHFFFAOYSA-N 313.375 1.082 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 4308778 MPRGGKQHJZRWGU-LRDDRELGSA-N 309.410 1.649 0 40 DDAB COC(=O)[C@@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(C)C 5245639 IRPZVBZYIUYDCL-ZDUSSCGKSA-N 307.350 1.964 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(F)cc1 5245590 JLDTUAVCVZBXIP-UHFFFAOYSA-N 312.304 1.959 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1C[C@@H](C)O[C@H](C)C1)C2=O 14086561 WXGJQEYKGBFLAR-VLXAULBPSA-N 309.410 1.554 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N(C)C)C1 65608155 WHTZUAXRFIDPAE-UONOGXRCSA-N 322.409 1.192 0 40 DDAB CCCC(=O)Nc1ccc(OC[C@H](O)CNCC)c(C(C)=O)c1 65739913 BKGQPZMMLAGZCQ-CQSZACIVSA-N 322.405 1.977 0 40 DDAB in-vitro CCNC(=O)NC(=O)[C@@H](Sc1n[nH]c(N)n1)c1ccccc1 5473162 POSKEIPRASNSCD-VIFPVBQESA-N 320.378 1.066 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H](OC[C@H]1CCCO1)C(C)C)C2 69598090 ZRTUPMIBEOFLOZ-UKRRQHHQSA-N 322.409 1.149 0 40 DDAB O=C(COc1cccnc1)N1CCC(Nc2cccnn2)CC1 69930429 MJNUMBDONJEPPR-UHFFFAOYSA-N 313.361 1.354 0 40 DDAB CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCC1 72296998 BQXWUESOFLRZHA-UHFFFAOYSA-N 308.403 1.633 0 40 DDAB O=C(Cn1cnnn1)Nc1nc(Cc2ccccc2)cs1 96009768 XEURNVALAORBDW-UHFFFAOYSA-N 300.347 1.359 0 40 DDAB CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 9322816 HKJDLLKAZBANDJ-JTQLQIEISA-N 320.422 1.878 0 40 DDAB COc1cc(CNC(=O)c2cc(C)no2)cc(OC)c1OC 9390038 FWFLWVDBKQSXQS-UHFFFAOYSA-N 306.318 1.939 0 40 DDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 9483762 XHRVYPJUSFKKML-GFCCVEGCSA-N 321.402 1.607 0 40 DDAB Cc1nnc(COC(=O)c2cccc(-n3cccn3)n2)n1C1CC1 97033078 HAJMFQKNJUSLKA-UHFFFAOYSA-N 324.344 1.859 0 40 DDAB CC(C)NS(=O)(=O)N1CCCN(CC2CCCCC2)CC1 97048078 PQYWROUCEDSASN-UHFFFAOYSA-N 317.499 1.817 0 40 DDAB Cc1cc(-c2nnn(CC(=O)N3CCO[C@@H](C)C3)n2)ccc1F 71839278 ZXHATPPCPFINSU-NSHDSACASA-N 319.340 1.035 0 40 DDAB Nc1nc(S[C@H]2CCN(c3ccccc3Cl)C2=O)n[nH]1 71893884 XNSVZORYGNZJCX-VIFPVBQESA-N 309.782 1.938 0 40 DDAB CC[C@H](CCO)CNS(=O)(=O)c1ccc(OC)c(C)c1 94960166 IVBRNMZEDSXTNW-GFCCVEGCSA-N 301.408 1.691 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN(CCc3ccncc3)C2)C1=O 84597376 JNATVIDNEJEPNN-INIZCTEOSA-N 302.378 1.029 0 40 DDAB CC1(C)CN(C(=O)c2cnc3nc(O)[nH]c(=O)c3c2)C1(C)C 84673606 ASXUTQKQVSOMKO-UHFFFAOYSA-N 302.334 1.284 0 40 DDAB O=C1CN(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)CCN1 95414423 URPHOHREDSAFRP-KBXCAEBGSA-N 313.401 1.422 0 40 DDAB C[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)n1cccn1 95463996 NLCIEIUVSLLCOB-GWCFXTLKSA-N 305.309 1.395 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1cccc(-n2nnnc2C)c1 95473131 CNSXDGDTXMBACL-OAHLLOKOSA-N 314.393 1.185 0 40 DDAB COc1cc(Nc2ncccc2S(N)(=O)=O)cc(OC)c1 65183158 OCODUVHOEBWURQ-UHFFFAOYSA-N 309.347 1.490 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3cccnc3)cn2)C1 72365172 LWLHKAGDKUTLJW-CYBMUJFWSA-N 318.402 1.678 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2ccc(Cl)cn2)cn1C 524732759 ZSFWUWZEPVBCDU-UHFFFAOYSA-N 307.737 1.760 0 40 DDAB OCCN1CCCC[C@@H]1c1ccnc(Nc2ncccn2)n1 72377401 PLSZHGDTKDQBIJ-CYBMUJFWSA-N 300.366 1.530 0 40 DDAB CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccncc1 536949706 LUTAFCQKHIGHJH-VXGBXAGGSA-N 310.350 1.571 0 40 DDAB COC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218421613 XSXFOGHGWCUQCY-AGIUHOORSA-N 303.811 1.442 0 40 DDAB Cc1ccnc([C@@]2(C)CCCN2S(=O)(=O)c2cnn(C)c2)n1 72388562 YMJUOPXGUJJVCV-CQSZACIVSA-N 321.406 1.218 0 40 DDAB CNC(=O)CCc1cccc([C@H]2CCCN2c2ncccn2)n1 72382851 UJZFZSZHIZMXRN-OAHLLOKOSA-N 311.389 1.892 0 40 DDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)NC(=O)N2 38488442 APWICSIDXCZQDH-LBPRGKRZSA-N 314.345 1.561 0 40 DDAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241710 MLMPOFCRZQROFV-CABCVRRESA-N 308.353 1.640 0 40 DDAB CC(C)NC(=O)N1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 77266202 KXUFMRARRPDPQX-CQSZACIVSA-N 317.393 1.121 0 40 DDAB biogenic,in-vitro CCOC(=O)c1cnc(N2CCN(Cc3ccc[nH]3)CC2)s1 225413595 MUWAIGIMYMOACV-UHFFFAOYSA-N 320.418 1.970 0 40 DDAB Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](Oc2cnccn2)C1 225474526 AGVUSIVHQYJTGX-GFCCVEGCSA-N 301.350 1.500 0 40 DDAB O=C(O)[C@H](N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12 40165669 IUYNKRBKKSUGHN-TVQRCGJNSA-N 308.359 1.070 0 40 DDAB CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H](C2)N=C(O)N3C(C)C)C1 329187229 QBDAMCKBAVEUGJ-TUVASFSCSA-N 323.437 1.799 0 40 DDAB O=C(O)c1nn(-c2ncccc2Cl)nc1Br 89261658 YDZRMWLOIKWYBR-UHFFFAOYSA-N 303.503 1.776 0 40 DDAB CCN1CCN(C(=O)CCn2ncc3cc(C)ccc32)CC1 40758717 GKLBXIHZVLCEDU-UHFFFAOYSA-N 300.406 1.899 0 40 DDAB CN(CCNS(C)(=O)=O)[C@@H]1CCCN(c2ccccc2)C1 81014784 XLGSVGUILKUBGN-OAHLLOKOSA-N 311.451 1.136 0 40 DDAB NC(=O)C1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 84935685 JTSBXSJDQBAZFG-UHFFFAOYSA-N 308.359 1.319 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42646020 UHTZITNAIXWHNY-UHFFFAOYSA-N 318.204 2.000 0 40 DDAB Cc1cccc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)n1 96200897 VXVQNDHLHKTRDW-MSOLQXFVSA-N 313.449 1.871 0 40 DDAB CCn1c(C)nnc1[S@](=O)CC(=O)NCc1ccccc1C 96450250 FDSIEVYAGABSIU-QFIPXVFZSA-N 320.418 1.339 0 40 DDAB COCCNC(=O)CNC(=O)C1(c2cccs2)CCCCC1 96414248 QBRDVTIGADQEIB-UHFFFAOYSA-N 324.446 1.829 0 40 DDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2 96108396 HTTVTNRLXJYGLU-PBHICJAKSA-N 322.380 1.037 0 40 DDAB NS(=O)(=O)CCN1CCC[C@H]1[C@H]1CCCc2ccccc21 95407311 YFYJZNJCXFUCKB-HOTGVXAUSA-N 308.447 1.859 0 40 DDAB COC(=O)CN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 95407304 QTGPEVCYBWJAJL-UHFFFAOYSA-N 320.437 1.982 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1ccccc1-n1nnnc1C 95474774 XMEQIMNYOLAJLK-ZDUSSCGKSA-N 314.393 1.185 0 40 DDAB Cc1nc(N2CCS(=O)(=O)CC2)c2cnn(C(C)(C)C)c2n1 95426226 NQGYVQDYAQNXJP-UHFFFAOYSA-N 323.422 1.125 0 40 DDAB COc1ncnc2c1CN(Cc1csc(NC(C)=O)n1)CC2 97202208 YLJUVKGDJPIMJY-UHFFFAOYSA-N 319.390 1.458 0 40 DDAB CS(=O)(=O)CCOCCNc1ncc(Cl)cc1Cl 252497519 QJULIGSZZUAKAU-UHFFFAOYSA-N 313.206 1.862 0 40 DDAB Cc1ncoc1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 257231766 GICNWTNAQBWJQG-CQSZACIVSA-N 315.377 1.812 0 40 DDAB CCN(CC)S(=O)(=O)N1CCN(C)[C@H](c2ccccc2)C1 257293617 QQJRVZLKFXJGFP-HNNXBMFYSA-N 311.451 1.562 0 40 DDAB COc1ccc(CC(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)cc1 257263660 LQXYELCCUWBEBL-OAHLLOKOSA-N 315.373 1.869 0 40 DDAB NC(=O)CN1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 257289660 PZRCHYPEDDEUCI-OWCLPIDISA-N 315.417 1.216 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 575404808 PNJBDDRDAOJIGL-HIFRSBDPSA-N 303.358 1.397 0 40 DDAB CC(=O)N[C@H]1CCCN(CC(=O)O)[C@H]1Cc1cccc(F)c1 585275037 UNENBTSNLSPCTD-GJZGRUSLSA-N 308.353 1.422 0 40 DDAB Cc1nc(CC(=O)N2CCC(N3CCNC3=O)CC2)cs1 55785864 FTGRLRRODHOFIS-UHFFFAOYSA-N 308.407 1.010 0 40 DDAB Cn1cc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)cn1 57264406 BMVTYDMHRDAPCJ-UHFFFAOYSA-N 317.364 1.924 0 40 DDAB COC(=O)[C@H](NS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 57218428 NDNFABIUONPIRT-UYIBLKNYSA-N 301.408 1.294 0 40 DDAB in-vitro Cc1noc(CN2CCN(Cc3nc4ccccc4o3)CC2)n1 69150433 ANMWLUPGOPZNKP-UHFFFAOYSA-N 313.361 1.837 0 40 DDAB c1ccc(Cc2noc(CN3CCC[C@H]3Cn3cncn3)n2)cc1 69601279 TWLYOCLMDZAUHY-HNNXBMFYSA-N 324.388 1.917 0 40 DDAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCNC(=O)C1 97162072 BDPXBVYGXOHNMO-JTQLQIEISA-N 307.398 1.149 0 40 DDAB COCCN1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1 85467877 LCIRWEWFADRZQN-UHFFFAOYSA-N 319.361 1.775 0 40 DDAB Cn1cc(CCCN2CCN(C3=NCC(C)(C)S3)CC2)cn1 85821239 NSFQUUJUAUDDEF-UHFFFAOYSA-N 321.494 1.852 0 40 DDAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1 5865894 VKQYONGOMRRURX-UHFFFAOYSA-N 307.390 1.605 0 40 DDAB CC(C)(C)c1ccc(N2CCN(Cc3ncon3)CC2)nn1 1888843297 XZOAQFNUPGDGLG-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB Cc1cccc(CS(=O)(=O)N2CC(Cn3ccnn3)C2)c1 1775985852 CKFNWYJEXSEIKF-UHFFFAOYSA-N 306.391 1.048 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1nc2ccccc2n1C)C(C)C 39985008 MQNCUINACUQYTO-HNNXBMFYSA-N 302.378 1.350 0 40 DDAB CC(C)N1CCO[C@H]2CN(C(=O)CC3(O)CCC3)CC[C@@H]2C1 1565546168 VEEZRULPXMLKLZ-CABCVRRESA-N 310.438 1.249 0 40 DDAB O=C(NC1CC2(CCN(C(=O)CCc3ccc[nH]3)C2)C1)C1CC1 1565544164 SUJJUECNURYWND-UHFFFAOYSA-N 315.417 1.855 0 40 DDAB O=C1C[C@@H](NS(=O)(=O)c2cccnc2)CN1c1ccccc1 4303419 HTVHCZOPEVVMJR-GFCCVEGCSA-N 317.370 1.165 0 40 DDAB CN1CCN(C(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 19874170 GXIGPDZGDQNIQA-UHFFFAOYSA-N 321.490 1.851 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)CSC2=O)C1 575611500 ZAPDUOLAIVDLCV-JTQLQIEISA-N 320.370 1.360 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@H]1C(=O)NC[C@@H]1C(C)(C)C 585149705 KCQWPOVILAKWFZ-VHSXEESVSA-N 324.402 1.882 0 40 DDAB CCOC(=O)CCC(=O)NCCn1cc(-c2ccncc2)cn1 575613018 SHFIFHJAKFJCAB-UHFFFAOYSA-N 316.361 1.405 0 40 DDAB CC(C)(C)C(=O)N[C@H]1CCCN(CC(=O)N2CCCCC2)C1 358391493 YRODFZOTMLHSGB-AWEZNQCLSA-N 309.454 1.626 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1 5652420 DZRNKUZLHFZXTI-UHFFFAOYSA-N 322.390 1.796 0 40 DDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCCCC1 36654547 JHVFCIRVVBOZLG-CQSZACIVSA-N 315.373 1.162 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1C 30522261 GRZNZKHSDGATLX-STQMWFEESA-N 316.357 1.960 0 40 DDAB CON(C)C(=O)[C@H](NS(=O)(=O)c1ccccc1F)C(C)C 40457546 PEWSKBHIUQDTKU-GFCCVEGCSA-N 318.370 1.148 0 40 DDAB CN(C)C(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100775464 DPSSMMFTNRYPLZ-NZBPQXDJSA-N 310.353 1.700 0 40 DDAB CCCn1c(NC(=O)[C@@H](C)S(C)(=O)=O)nc2ccccc21 40527780 WJRAQPCJNXUYEY-SNVBAGLBSA-N 309.391 1.818 0 40 DDAB Cc1nnc2ccc(NCCOc3ccc(Cl)cn3)nn12 89740968 SYPWYFLKNIXKNO-UHFFFAOYSA-N 304.741 1.972 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)N1CCCc2ccccc21 1328133 RIXMQFQWGDEYCS-UHFFFAOYSA-N 320.352 1.771 0 40 DDAB CN1C(=O)[C@](NC(=O)c2cccs2)(C(F)(F)F)N=C1O 2195163 DMWFDARQLGKKOJ-SECBINFHSA-N 307.253 1.123 0 40 DDAB CC(C)CN(CC(N)=O)Cc1nc(Cc2ccccc2)no1 46061255 DNVXFJLEEVBJJV-UHFFFAOYSA-N 302.378 1.604 0 40 DDAB CC(C)Oc1ccc(-c2noc(C(=O)N(C)CCO)n2)cc1 20716592 QPCZOHFUSIYOAP-UHFFFAOYSA-N 305.334 1.588 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1 46198034 OEOFEFHAAGEEDO-UKRRQHHQSA-N 317.389 1.905 0 40 DDAB CCN1C[C@H](C(=O)N(CCOC)Cc2ccccc2)CC1=O 46141990 JCWPGVMCDWJQEW-OAHLLOKOSA-N 304.390 1.530 0 40 DDAB CCOc1c(OC)cccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 101675158 KKJANBPEEYXEMY-SNVBAGLBSA-N 317.305 1.064 0 40 DDAB COCCN(CCOC)C(=O)c1cc(-c2ccccc2)[nH]n1 29631694 XXYFLCAOORPFOJ-UHFFFAOYSA-N 303.362 1.812 0 40 DDAB CC(C)c1ccc(-n2nnnc2SCC(=O)N(C)C)cc1 8428600 ZXJYQZUJGTYPHS-UHFFFAOYSA-N 305.407 1.966 0 40 DDAB O=c1[nH]cnc2nc(N3CCN(c4ccccc4)CC3)sc12 8652887 PPMDOXHNXRGEMV-UHFFFAOYSA-N 313.386 1.706 0 40 DDAB COc1ccccc1CNC(=O)CN1[C@H](CO)CCC[C@H]1C 89927537 BAGAJUOQRPLCGR-HIFRSBDPSA-N 306.406 1.547 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 41130408 LQZHHQWHMYKKHQ-SECBINFHSA-N 320.374 1.065 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCc2ccccc21 103061744 PWXMCSZKVVEDTR-OKILXGFUSA-N 310.353 1.527 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 102676236 QZDINGCMWIXPPJ-YOPIWALVSA-N 316.401 1.442 0 40 DDAB O=C(NCCNC(=O)C1CC1)c1cc2ccccc2oc1=O 41598392 GUHWCKOWVYBPPY-UHFFFAOYSA-N 300.314 1.049 0 40 DDAB COc1ccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1F 41934080 QFSBNULGGVBRBY-MRXNPFEDSA-N 316.332 1.720 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NC1CCCC1 42091429 ISSTWCYGPBRYCC-UHFFFAOYSA-N 312.373 1.742 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863711 JNBYWKGHORPHPD-OAHLLOKOSA-N 323.418 1.677 0 40 DDAB Cc1nc(C(C)(C)C)sc1C(=O)NCCN1CCOCC1 61342194 XPIIYSGOAHSDCA-UHFFFAOYSA-N 311.451 1.811 0 40 DDAB CCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 113967855 CFQASMRZVDOPDW-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB Nc1nccnc1C(=O)NCc1ccc(OC2CCCC2)nc1 53995248 RFWZQYOULMQVFI-UHFFFAOYSA-N 313.361 1.705 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C3[C@@H](OC(C)(C)C)C4[C@@H]([C@@H]13)[C@@H]42 100661177 LLTLZFVQBXWSLR-MPSNJGTMSA-N 306.358 1.564 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@H](O)CSc1nncs1 25959335 FTNNLXLLXKIDIW-QMMMGPOBSA-N 321.383 1.287 0 40 DDAB COCCCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23506190 BXUTXQWOLSPBAI-SJORKVTESA-N 304.434 1.692 0 40 DDAB C[C@H]1CN(CCCNc2ncnc3c2cnn3C)C[C@@H](C)O1 23619449 XEKRMVCLWBRCAZ-TXEJJXNPSA-N 304.398 1.275 0 40 DDAB Cn1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)cn1 61718903 IHVCPSKXINDARW-UHFFFAOYSA-N 324.340 1.940 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F 57355005 YAZKAUWCWKQGSZ-XJKSGUPXSA-N 320.364 1.594 0 40 DDAB O[C@@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1 3145184 VLWOYPVPCIUXFG-HOTGVXAUSA-N 317.385 1.456 0 40 DDAB COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCO[C@H](C)C2)cc1 105942795 ZIZJHLDNLXWNKC-CHWSQXEVSA-N 320.389 1.199 0 40 DDAB COC(=O)c1cc(CN(C)C(=O)Nc2nncs2)oc1C 43130732 ASGKZICKAGKARG-UHFFFAOYSA-N 310.335 1.890 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)OCCO2 24723786 BRRRADXSULQKIA-GFCCVEGCSA-N 307.346 1.775 0 40 DDAB Cc1noc(C)c1Cn1nnn(-c2ccccc2Cl)c1=O 24836089 SMPQFTPLJUCKAT-UHFFFAOYSA-N 305.725 1.736 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)N3CCCC3)CC2=O)cc1 34916653 LNVUTXBVZVQHBA-AWEZNQCLSA-N 302.374 1.666 0 40 DDAB C[C@H](NC(=O)N1CCN(c2nccs2)CC1)[C@@H]1CCCO1 26399871 OONUPYSNCUZTIS-RYUDHWBXSA-N 310.423 1.542 0 40 DDAB NC(=O)NC(=O)CNc1ccccc1OCCc1ccccc1 69630763 HVEMNQPBDQXRPI-UHFFFAOYSA-N 313.357 1.915 0 40 DDAB COc1cccc2c1OCC(C(=O)NCC(=O)NC(C)(C)C)=C2 69633065 YGVMBRVUYRVXLY-UHFFFAOYSA-N 318.373 1.502 0 40 DDAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)O)c(=O)c12 1944807 JSQCBVJDFHOEJZ-UHFFFAOYSA-N 310.331 1.416 0 40 DDAB Cc1c(C(=O)NCCC(=O)N(C)C)cnn1-c1ccc(F)cc1 58193566 NUNALIYPSIFJDZ-UHFFFAOYSA-N 318.352 1.528 0 40 DDAB CCOc1ncccc1C(=O)Nc1ccc2nc[nH]c(=O)c2c1 58201252 CBSFJDZIWJTEDM-UHFFFAOYSA-N 310.313 1.969 0 40 DDAB O=C(CN1CCCC1=O)NCc1ccc(N2CCCCC2)nc1 44953117 OLGCPUYLZAWERC-UHFFFAOYSA-N 316.405 1.311 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1cc(F)ccc1F 44935952 QLQOKSTXBMJLLD-VIFPVBQESA-N 301.318 1.528 0 40 DDAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@H]1CCCO1 27865777 LOPOZQODIMXGSH-GXSJLCMTSA-N 318.295 1.551 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(OCC)c1 58401537 RXFUUQREZFIATR-RYUDHWBXSA-N 307.394 1.970 0 40 DDAB CN(Cc1csc(-c2ncccn2)n1)[C@@H]1CCS(=O)(=O)C1 48287030 NISJAWPBPIZJPM-LLVKDONJSA-N 324.431 1.219 0 40 DDAB CCOc1cccc(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 48377507 OLXBBHCGSYMUKX-IUODEOHRSA-N 304.390 1.864 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCCn2cncn2)n1 70006907 LRSBWRDXPVQMRQ-OAHLLOKOSA-N 316.409 1.563 0 40 DDAB c1cnn(C[C@@H]2CN(c3ncnc4ccsc34)CCO2)c1 69376893 LWNYNSOENMEAGT-NSHDSACASA-N 301.375 1.793 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 60292202 CSNHTHDOMLOEGW-LBPRGKRZSA-N 304.346 1.328 0 40 DDAB CCN(CC)C(=O)c1cccc(NC(=O)CCNC(C)=O)c1 12909353 UOFBIAVDIVLRTI-UHFFFAOYSA-N 305.378 1.633 0 40 DDAB Cn1ccc(C(=O)NCc2ccccc2Cn2ccnc2)cc1=O 28513514 YCCWWAJUQDBYLB-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](C(=O)O)C1 13170919 ZNIJPHBZNCURRM-GFCCVEGCSA-N 307.346 1.706 0 40 DDAB CN(CCOc1cccc(Cl)c1)C[C@H](O)Cn1cccn1 69453378 TVQDVDGPGOVIHF-AWEZNQCLSA-N 309.797 1.908 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F 4192783 ODZKPFXBDSJFNH-NQMVMOMDSA-N 308.281 1.558 0 40 DDAB O=C1CC[C@@H]2CN(c3cnnc(O)c3Cl)CC[C@H]2N1C1CC1 91504938 BHDLAYHCMDZGIN-MWLCHTKSSA-N 322.796 1.815 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2COCC1CCOCC1 306134369 NLDVPTSUSIUFSB-CQSZACIVSA-N 312.410 1.202 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)[C@H](C)CO1 65437307 CRCLCQCDNJCDQG-OLZOCXBDSA-N 318.373 1.438 0 40 DDAB CN1CCS/C1=C\C=c1\sc2nc3ccccc3n2c1=O 4579132 YBWWVRJQLLCFQZ-FVPAAFGUSA-N 315.423 1.929 0 40 DDAB CCN(C(=O)/C=C/c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 4505003 CNQHHGYCXJBWQR-MRZGDXHCSA-N 323.414 1.744 0 40 DDAB O=C(NCc1cccc(O)c1)c1cccnc1N1CCOCC1 69847793 XWWCPUAWJPMEFX-UHFFFAOYSA-N 313.357 1.554 0 40 DDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCC[C@H](C)C3)nc2c1 6506424 IOQOSYXHJZITKE-NSHDSACASA-N 315.373 1.942 0 40 DDAB COCCn1c(C)cc(O)c([C@H]2OC(=O)c3ccccc32)c1=O 6661190 NLFWWCPBZJHXBQ-HNNXBMFYSA-N 315.325 1.769 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c(O)c1 6623370 RMWIRODICYXOFN-UHFFFAOYSA-N 323.326 1.905 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2cccn2)no1 69950226 JJHJRZJZYXNYOE-QWHCGFSZSA-N 303.366 1.671 0 40 DDAB C[C@@H](O)C[C@@H](CNC(=O)N1CCC[C@@H]1CO)c1ccccc1 89894835 HMMAOSYOWRFTAC-VNQPRFMTSA-N 306.406 1.707 0 40 DDAB CCOC(=O)N1CCN(c2ncc3c(n2)CCCC3=O)CC1 4983463 MBLCIHCXHHAXPQ-UHFFFAOYSA-N 304.350 1.274 0 40 DDAB CCOc1ccc(N2C[C@H](C(=O)N[C@H](C)COC)CC2=O)cc1 4943345 RGTFXZSXMQYJLP-CHWSQXEVSA-N 320.389 1.589 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)Nc2cnn(C(C)(C)C)c2)c1C 67027583 XWBPAGOCDHPJCQ-UHFFFAOYSA-N 303.366 1.601 0 40 DDAB O=C(COc1ccc(F)cc1)N1N=CC[C@]1(O)C(F)(F)F 6926439 RLSQLIVUXRKABQ-NSHDSACASA-N 306.215 1.674 0 40 DDAB O=C(COc1cccc(F)c1)Nc1ccc(-n2cnnn2)cc1 7265601 GHXLISWGJPLFHG-UHFFFAOYSA-N 313.292 1.819 0 40 DDAB CCCn1c(SCC(=O)NCCc2ccccc2)n[nH]c1=O 8824088 LKCQYKKGVFFOEQ-UHFFFAOYSA-N 320.418 1.432 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C[C@@H](C)O1 7495050 PWTJPASYOOMJMR-NXEZZACHSA-N 307.375 1.094 0 40 DDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(C)=O)c1 7688248 VKBHCIDCMFATPZ-SNVBAGLBSA-N 312.391 1.082 0 40 DDAB COC(=O)c1ccccc1N(C)C(=O)c1nccnc1C(=O)O 71282859 QDYVHYVPWBOION-UHFFFAOYSA-N 315.285 1.238 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CN(C)CCO1 83003934 PKUOXMKZASKTMI-BBRMVZONSA-N 303.406 1.184 0 40 DDAB COc1ccc(C(=O)Oc2ccccc2P(=O)(O)O)cc1 9184436 NMUNWDXYUCYXSR-UHFFFAOYSA-N 308.226 1.717 0 40 DDAB CCCCN1C(=O)N[C@@](Nc2ncccn2)(C(F)(F)F)C1=O 96231767 AQQWHLFTCNUXIW-LLVKDONJSA-N 317.271 1.499 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(CCOc2ccccc2)CC1 96845433 HXOGNSPRABHBCD-INIZCTEOSA-N 319.449 1.596 0 40 DDAB c1cnn(CCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 71819650 TUGLZWMNECSXNW-UHFFFAOYSA-N 311.345 1.792 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 83829931 HXQCCSSPZCJVCP-GFCCVEGCSA-N 320.418 1.880 0 40 DDAB CC(C)(C)OC(=O)NN1C[C@H](C(=O)NCc2ccco2)CC1=O 71922152 ACIMJMVBDLMKNL-SNVBAGLBSA-N 323.349 1.184 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 9834512 LCHBTZUZZRCIGT-UHFFFAOYSA-N 320.370 1.856 0 40 DDAB CCC(=O)N1CC[C@H](NCc2ccc(C(N)=O)cc2)[C@@H](C)C1 76057289 NLGTYAWRWJIBTH-WFASDCNBSA-N 303.406 1.522 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)NC[C@H]2CCCn3ccnc32)no1 84117242 JQHTWHMXQJGLHI-VXGBXAGGSA-N 303.366 1.674 0 40 DDAB Cc1cc2ncn(C[C@H](O)CNCCn3cccn3)c2cc1C 72254031 KYHMCHVWPYHBFQ-OAHLLOKOSA-N 313.405 1.500 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 78789165 BHUAOUIXZWFYQA-GJZGRUSLSA-N 310.344 1.636 0 40 DDAB C[C@@H](C[S@@](C)=O)NC(=O)Nc1ccc(-n2cccn2)cc1 97107343 JSFDNGYIFCPBDW-MQJDWESPSA-N 306.391 1.761 0 40 DDAB CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCNC(=O)C1 97138387 NNJBZJSTBVDSCS-CVEARBPZSA-N 318.417 1.558 0 40 DDAB C[C@@]1([C@H]2CCCN(Cc3ccc(F)cc3)C2)NC(=O)NC1=O 72300692 NXAQRBUPIIFNKM-LRDDRELGSA-N 305.353 1.636 0 40 DDAB Cc1cc(N[C@@H]2CCCNC2=O)n2nc(C(F)(F)F)nc2n1 95389921 ORCRGFQZXTYYLN-SSDOTTSWSA-N 314.271 1.142 0 40 DDAB CCN(C)C[C@H]1CCN(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)C1 84760824 ZZNOGZMAMCUGBT-IXDOHACOSA-N 324.513 1.948 0 40 DDAB CC[C@H]1COCCN1C(=O)Nc1cc(Br)n(C)n1 95460760 OMGNDMQYLFSOGG-QMMMGPOBSA-N 317.187 1.825 0 40 DDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnn(C)c1C 95437827 LWGNCNAPDGLZSQ-AWEZNQCLSA-N 319.336 1.382 0 40 DDAB C/C(=C\C(=O)NC1CCC(N2C(=O)CCC2=O)CC1)C1CC1 95440308 UBIORPNKESHUFK-ZHACJKMWSA-N 304.390 1.919 0 40 DDAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95429921 SVWLBZZQPINVEL-PZDALLCQSA-N 313.401 1.980 0 40 DDAB CC(=O)N1CCC(CCC(=O)NCc2ccnc(C)n2)CC1 79661828 HICPTWZHCKYIAW-UHFFFAOYSA-N 304.394 1.440 0 40 DDAB CCc1ccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)o1 95984610 WLHAGCGBFAAXPX-LBPRGKRZSA-N 308.378 1.551 0 40 DDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)CC1 95971093 TWDOJYDCCASACL-PMPSAXMXSA-N 321.465 1.670 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2cc(C)no2)C1 89606883 AFNHOGMCFSHBAK-ZDUSSCGKSA-N 319.365 1.297 0 40 DDAB COCc1c(I)cnn1CC(F)F 408717349 YRQMFFDMDVCBEI-UHFFFAOYSA-N 302.062 1.899 0 40 DDAB CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OC)NC1=S 409005032 CXEDNDNAGFBVDD-FLIBITNWSA-N 320.370 1.316 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)c2cnc(COC)[nH]c2=N)C12CCC2 547783728 MQSNZJZZZZOLIA-VXGBXAGGSA-N 320.393 1.113 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCc2ccccc2)on1 32929834 NLLROSBOCYJSEB-GFCCVEGCSA-N 322.386 1.603 0 40 DDAB O=C(NC1=NCCS1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32795548 SQGZNFNMKCOZFT-SECBINFHSA-N 323.805 1.912 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(C3CCC3)n2)co1 524733664 CCLJXAIRGCXTME-UHFFFAOYSA-N 304.306 1.351 0 40 DDAB COCC(=O)N1CCCC[C@@H]1c1ccc2c(N)nc(C)nc2n1 72374630 AHHDNPLZVMQLSE-CYBMUJFWSA-N 315.377 1.615 0 40 DDAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 34389054 WUGJBOLEJDOLMJ-OXJKWZBOSA-N 305.717 1.145 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cc(Sc2ncccn2)ccn1 72243488 AAXQJFZRILFILL-NSHDSACASA-N 316.386 1.932 0 40 DDAB O=C(O)C1(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 558590288 JHJLJHWALGDKEG-UHFFFAOYSA-N 323.292 1.742 0 40 DDAB CC(=O)Nc1nc(C2CN(C(=O)c3cncs3)C2)cs1 72368458 PCJXODIKBKZIEU-UHFFFAOYSA-N 308.388 1.798 0 40 DDAB CS(=O)(=O)N1C[C@H](C(=O)NC2CCCC2)Oc2ccccc21 35511570 YOQWGPNJEZYIBF-CQSZACIVSA-N 324.402 1.272 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(CN)CN 218375148 QQRFFSGSVLZIJO-NWDGAFQWSA-N 302.827 1.144 0 40 DDAB CN(C)c1cccc(C[C@H]2COCCN(Cc3ncc[nH]3)C2)n1 72381119 MHQMADKKHNKLSX-CQSZACIVSA-N 315.421 1.562 0 40 DDAB Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)C2CCOCC2)c1 72321671 CIPOYXVDXYAJJR-QBPKDAKJSA-N 319.401 1.116 0 40 DDAB biogenic,in-vitro C[C@@H](Nc1ncnc2cc(F)ccc12)C(=O)N1CCOCC1 79089546 KACHIRGJMRSCHW-SNVBAGLBSA-N 304.325 1.428 0 40 DDAB COc1nn(C)cc1C(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225788791 PHPNYDMJSWVUPT-AWEZNQCLSA-N 315.373 1.642 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C)C2)CC1 82314648 SZTWOZPUTNDQBK-OAHLLOKOSA-N 317.433 1.686 0 40 DDAB O=C(NCCCn1ccnc1)c1ccc(O[C@H]2CCOC2)nc1 225707678 KSBQDQDXWIKJDY-AWEZNQCLSA-N 316.361 1.266 0 40 DDAB Cc1cc(C)cc(CS(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)c1 573852139 DKZIWWCZTVFMLZ-UONOGXRCSA-N 309.387 1.752 0 40 DDAB O=C(NCc1cnn2c1CCCC2)c1cnn(-c2ccccc2)n1 225607398 LXPVBSJLTFIPQA-UHFFFAOYSA-N 322.372 1.730 0 40 DDAB Cn1nc(C(=O)NCc2ccnc(-c3ccco3)c2)ccc1=O 225655935 HFCLCWINDHYHDM-UHFFFAOYSA-N 310.313 1.365 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)[C@@H](N)c2ccccc2)C[C@H]1C 195554739 KZOQRNIXCGSPLK-LZWOXQAQSA-N 305.422 1.254 0 40 DDAB NC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 49543526 VLVYEOCJJOTTTN-ZSGNIPIJSA-N 305.765 1.457 0 40 DDAB biogenic Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225556779 JTNNQRNHVIFNTA-NSHDSACASA-N 319.390 1.641 0 40 DDAB Cc1ccccc1-c1nnc(S(=O)(=O)CCOC(C)C)n1C 83025088 NDSAHRFSQRVKKN-UHFFFAOYSA-N 323.418 1.989 0 40 DDAB Cc1cscc1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C 84215717 KNYOCYOMMFCTKC-ZDUSSCGKSA-N 310.419 1.670 0 40 DDAB COc1ccc(C2=NO[C@@](C)(C(=O)N3CCOCC3)C2)cc1 96192578 FRZYJBRITKQRJJ-MRXNPFEDSA-N 304.346 1.437 0 40 DDAB Nc1ccc(S(=O)(=O)N2CCC[C@@H](n3cccn3)C2)cc1 97375634 HSXBFTWDTLDMSX-CYBMUJFWSA-N 306.391 1.491 0 40 DDAB Cc1cc(CC(=O)NCc2ccn(-c3ccc(F)cc3)n2)n[nH]1 96487341 BHUXLQGBKRJTHA-UHFFFAOYSA-N 313.336 1.902 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)N1 96414604 KQTIYWFNZPICFU-GXTWGEPZSA-N 318.348 1.526 0 40 DDAB CCOc1c(Br)cc(C(=O)NCCO)cc1OC 98067250 FCJRNLFYEUOMSO-UHFFFAOYSA-N 318.167 1.579 0 40 DDAB CN(C)C(=O)c1nc2c(s1)CCN(Cc1nccn1C)CC2 96187573 YPGAGQYWPDYIEJ-UHFFFAOYSA-N 319.434 1.179 0 40 DDAB CN(C)C(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21 96185272 YEJXMKADUSKNKZ-KFWWJZLASA-N 307.394 1.388 0 40 DDAB Cn1cccc1C(=O)N1CC2(CCN(c3nccs3)C2)C1 96202597 WJXSMTNZXUKTFC-UHFFFAOYSA-N 302.403 1.834 0 40 DDAB C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)n1cccn1 96422455 FFNGLLVSHWKOAK-AGIUHOORSA-N 313.423 1.258 0 40 DDAB COc1ccc(/C=C/C(=O)O[C@@H](CC(=O)O)C(=O)O)cc1OC 95864782 FZQDBBBREHNBJN-FUEXJSSKSA-N 324.285 1.188 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C1 96192278 ZRUSNWDZUVRXAA-JHJVBQTASA-N 304.394 1.278 0 40 DDAB Cn1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cn1 95478059 DKPASUOAMFQPCZ-LLVKDONJSA-N 317.349 1.385 0 40 DDAB C[C@@H]1CCN(C)c2ccccc2N1CCN1C(=O)CNC1=O 96467077 AUXZNUYDJLPIFN-GFCCVEGCSA-N 302.378 1.273 0 40 DDAB CN(C)CCN1CCO[C@@H]2CCN(Cc3cccs3)CC[C@H]21 248056667 YGYJZNXSFYERDM-IAGOWNOFSA-N 323.506 1.975 0 40 DDAB CCN1C(=O)C[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)c(OC)c1 257277799 NZKPMHRHQDRLLZ-ABAIWWIYSA-N 306.362 1.359 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)no1 252491922 LZPYXEIMWFTKFG-MRVPVSSYSA-N 323.330 1.503 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 252582019 YRUKHSXXKWLSDG-MRVWCRGKSA-N 304.394 1.783 0 40 DDAB C[C@]1(O)CN(C(=O)c2ccno2)CC[C@@H]1Oc1ccccc1 257289915 QATGIDQDOYAVHZ-HOCLYGCPSA-N 302.330 1.719 0 40 DDAB CC(=O)N1CC2(CCN(c3cnccn3)CC2)C[C@@H](O)C1(C)C 257260609 LDOMZWXFBUJVBM-CQSZACIVSA-N 318.421 1.455 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccccc2F)n1 257230612 GDBPXHMLXAYSPK-CYBMUJFWSA-N 319.336 1.836 0 40 DDAB O=C(Cn1ccc2ccc(F)cc21)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257255791 KIWJKTGMAJXWHX-XNRPHZJLSA-N 306.337 1.171 0 40 DDAB COC(=O)[C@@H]1CCN(C(=O)CC2=CCCCC2)[C@@H](C(=O)OC)C1 272669700 JZTIYFFIAJFYKF-ZIAGYGMSSA-N 323.389 1.830 0 40 DDAB CCn1c(=O)c(O)nc2cc(C(=O)N3CCC=C(F)C3)ccc21 272118003 PQJRZFBRIKYSND-UHFFFAOYSA-N 317.320 1.821 0 40 DDAB NC(=O)[C@H](Cc1ccc(F)cc1)Sc1nnnn1C1CC1 272939748 NICBIDYMUJDZDH-NSHDSACASA-N 307.354 1.336 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 34267170 ONPMQVDELWBJTG-GJZGRUSLSA-N 304.390 1.704 0 40 DDAB Cc1cc(N(C)C)nc(NC(=O)NCCc2ccccn2)n1 282852173 SDIUJELNYZTYLH-UHFFFAOYSA-N 300.366 1.610 0 40 DDAB C[C@H](O)C(=O)Nc1ccc(I)cc1O 390833461 HWMLLYOVRJYLJB-YFKPBYRVSA-N 307.087 1.316 0 40 DDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccoc3)C2)cc1 96121889 VIRIEWWTXAWYIV-UHFFFAOYSA-N 321.354 1.587 0 40 DDAB Cc1ccc(C[C@H]2CCN(C(=O)/C=C/CN(C)C)C[C@@H]2O)cc1 585290667 ZPBBIYDKOIYKJZ-ZLKFPQNLSA-N 316.445 1.865 0 40 DDAB CC1(C)C[C@@H](O)c2cccc(NCC(=O)N3CCNC3=O)c2O1 901461116 KLFJLCARCADYDV-GFCCVEGCSA-N 319.361 1.245 0 40 DDAB O=C(NCc1cncc(N2CCCC2=O)c1)c1ccncc1F 585150425 YGUCIBRXJQPYLM-UHFFFAOYSA-N 314.320 1.673 0 40 DDAB Cc1nccc(N2CCO[C@](CO)(Cc3ccccc3F)C2)n1 585276595 QDEWNXWTPNZVNX-QGZVFWFLSA-N 317.364 1.735 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1ncc[nH]1 585290523 FCICOHAXSZTUAO-BLLLJJGKSA-N 306.410 1.448 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2cccnc2C)C1 585279513 ZWDULZBURDYGCN-KRWDZBQOSA-N 319.405 1.537 0 40 DDAB COCC(=O)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585286545 ZYJRNJWXICEDFB-WDBKCZKBSA-N 313.781 1.621 0 40 DDAB O=C(C1CC(F)C1)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 585108390 DJQSYSHYMZLOIS-SWEPWFITSA-N 310.369 1.021 0 40 DDAB COc1cccc(F)c1CN1C[C@H](CC(=O)N(C)C)[C@@H](OC)C1 585277622 JKWZWENYYKGKEQ-LRDDRELGSA-N 324.396 1.759 0 40 DDAB COc1ccc([C@@H](C)NC(=O)NCCCn2cncn2)cc1F 48173980 HYXXSYKCCBGQTD-LLVKDONJSA-N 321.356 1.876 0 40 DDAB COC[C@](C)(NC(=O)CCSc1ccc(F)cc1)C(N)=O 72281143 KYURACSYQUROLV-AWEZNQCLSA-N 314.382 1.315 0 40 DDAB Cc1nn(C)c(C)c1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 89996488 SWNLJIUBHYJKME-UHFFFAOYSA-N 312.333 1.264 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCc1cccs1 102916736 HHDPQRORMGPBLC-BETUJISGSA-N 320.414 1.582 0 40 DDAB O=C(c1cccc(Cl)c1)N1CCN(C[C@H](O)C2CC2)CC1 85436619 ZMUTWUNGXCFVHX-HNNXBMFYSA-N 308.809 1.869 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCOC[C@H]2CN(C)C)c1 85469845 LNHYCQWIGBWTCC-CYBMUJFWSA-N 308.378 1.106 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CC(=O)c1ccccc1 5003611 XGFAGMHTCRTIIH-PWSUYJOCSA-N 310.400 1.018 0 40 DDAB COc1ccc2[nH]c(C)c(CN(C(C)=O)C(C)=O)c(=O)c2c1 5479048 CRZVNIBFABOYOY-UHFFFAOYSA-N 302.330 1.740 0 40 DDAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cscn1 12141992 JRXBZDQJAREDPD-SECBINFHSA-N 303.343 1.870 0 40 DDAB O=C1N[C@]2(Cc3ccccc31)CN(Cc1ccccc1)C[C@H]2CO 19372645 IHLZGTIRXVFGAT-FXAWDEMLSA-N 322.408 1.836 0 40 DDAB CN1CCc2nc(N)c(C(=O)NCCC3CCCC3)cc2C1 19700665 WILGYLJOHQCATF-UHFFFAOYSA-N 302.422 1.962 0 40 DDAB COc1ccc(N2C[C@H](NC(=O)NC(C)C)CC2=O)cc1OC 5201996 GGZWFMXGHSQPGE-LLVKDONJSA-N 321.377 1.517 0 40 DDAB Cc1cc(N2CCC(CNS(=O)(=O)C3CC3)CC2)ccn1 253395991 CYQPMDSSDZRQDK-UHFFFAOYSA-N 309.435 1.688 0 40 DDAB C[C@H](c1ccccc1)N1CCO[C@H](C(=O)N2CCOCC2)C1 1889119655 UXXPCKUGDCAOJO-ZBFHGGJFSA-N 304.390 1.307 0 40 DDAB CCc1nccn1CC(=O)N1CCO[C@@H](c2ccnc(C)c2)C1 1848441913 BBGKDKZHHBQAIV-OAHLLOKOSA-N 314.389 1.749 0 40 DDAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1065980640 CIHCEJKTOBLHAK-BETUJISGSA-N 313.336 1.219 0 40 DDAB c1cnc(OC[C@H]2CCCN(c3nccn4nccc34)C2)nc1 1776000780 JLDRMXKMHJTRKM-ZDUSSCGKSA-N 310.361 1.815 0 40 DDAB O=C([C@@H]1CSCN1C(=O)c1ccccc1)N1CCOCC1 38344822 KSRUGUITCLNAOC-ZDUSSCGKSA-N 306.387 1.061 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)O)c1 13076440 TYWXGNIFCNICBW-UHFFFAOYSA-N 301.364 1.398 0 40 DDAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cc(-c2ccco2)n[nH]1 238870553 MUKGUJSZCYXNKY-ZDUSSCGKSA-N 314.349 1.716 0 40 DDAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)on1 2037985052 WIJXIMXUSWFNGA-INIZCTEOSA-N 321.377 1.091 0 40 DDAB Cc1cccc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)n1 2037985151 ZFJOVZQHKBQMPZ-KRWDZBQOSA-N 317.389 1.244 0 40 DDAB CN1C[C@]2(CCN(C(=O)c3cccc(Cl)c3)C2)COCC1=O 2037985670 RRRILQJDCUTAJP-INIZCTEOSA-N 322.792 1.661 0 40 DDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 100078475 ABVBOYDDLJKDFV-WFGGJUAMSA-N 319.744 1.454 0 40 DDAB O=C(NC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1)C1(F)CC1 1614929554 CYGRGAYQHIPEJN-SNVBAGLBSA-N 306.297 1.055 0 40 DDAB CN(C)CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@H]2C1=O 1565544440 KZKFKWVTPNBFJX-RKVPGOIHSA-N 319.449 1.211 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)CCc3ccccc3F)CC[C@H]2C1 1565548247 WBMZVCJHEFIAAT-DOTOQJQBSA-N 320.408 1.937 0 40 DDAB Cc1nc(C(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@H]3C2)cs1 1565552187 WFDHPORKCKQWRS-OLZOCXBDSA-N 319.430 1.782 0 40 DDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccco1 75156273 XKUJQFUMFZOYIM-OAHLLOKOSA-N 324.283 1.520 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)c1ccco1 75156311 QEKOPJKLMJBSNJ-AWEZNQCLSA-N 313.350 1.913 0 40 DDAB CCOC(=O)C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 100972993 VHEUGIYZKQQAEG-SECBINFHSA-N 302.330 1.585 0 40 DDAB N=c1c2c3c(sc2ncn1N)CN(Cc1ccccc1)CC3 20100295 RXAJNDJGRMRBHR-UHFFFAOYSA-N 311.414 1.849 0 40 DDAB O=C(Nc1nnc2ccccn12)c1ccc(-n2cncn2)cc1 30692540 GNVZDGPADFZACG-UHFFFAOYSA-N 305.301 1.562 0 40 DDAB O=C(/C=C/c1ccco1)NCC(=O)NCCc1cccs1 40511878 RCTJIIBZHSFECQ-AATRIKPKSA-N 304.371 1.829 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCc3ccccc3C2)C1=O 51112607 QSWSRZQYNBRKAQ-UHFFFAOYSA-N 301.390 1.765 0 40 DDAB CCC(=O)N(CCO)Cc1cc2cc(CC)ccc2[nH]c1=O 410979 BDWAYYLAHICNRW-UHFFFAOYSA-N 302.374 1.821 0 40 DDAB Cn1c(CNc2cccc(Cl)c2)nnc1SCC(N)=O 421947 HAERDTAZDGGGQS-UHFFFAOYSA-N 311.798 1.658 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)c(F)c1 45896196 AHZXNHHKTHXYPN-GFCCVEGCSA-N 321.287 1.803 0 40 DDAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)O 36863877 PTENGFBIDHSNLQ-SNVBAGLBSA-N 300.380 1.769 0 40 DDAB Cc1noc(C)c1CC(=O)NCCc1nc(C(=O)O)cs1 90939151 HAPNDFHTVXNTGL-UHFFFAOYSA-N 309.347 1.348 0 40 DDAB CCNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 7980854 ADMBFZXDQVHBFW-UHFFFAOYSA-N 323.374 1.982 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(O)cc2O)C1 3417556 FDMQNEWWWABAAA-QWRGUYRKSA-N 307.346 1.759 0 40 DDAB O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21 20722384 CWLHYPMSORHOPU-UHFFFAOYSA-N 311.135 1.605 0 40 DDAB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1OC 4870446 CMJKJWGDJPXOHQ-VIFPVBQESA-N 323.345 1.536 0 40 DDAB C[C@@H](c1ccccc1F)n1cc(C(=O)NC[C@H]2CCCO2)nn1 4985874 OBKNVRLFDXYTGX-NWDGAFQWSA-N 318.352 1.935 0 40 DDAB COCCN(C)S(=O)(=O)c1csc(C(=O)NC(C)C)c1 6681467 VYTANGCVXUJGPF-UHFFFAOYSA-N 320.436 1.153 0 40 DDAB CCc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)cc1 100855890 PUJWAGRQEUXYHG-NEPJUHHUSA-N 322.386 1.026 0 40 DDAB COc1cc2c(cc1OC)CN(c1ncnc3[nH]ncc13)CC2 41121012 VXSAVMRWSGYKGL-UHFFFAOYSA-N 311.345 1.933 0 40 DDAB Cc1cccc(C)c1NC(=O)C(=O)NC1CCN(C2CC2)CC1 41240874 FSRJTVHSGQKNDT-UHFFFAOYSA-N 315.417 1.985 0 40 DDAB Cc1csc(CNC(=O)c2cccnc2N2CCOCC2)n1 29886079 BKGMAUSNBDRMSZ-UHFFFAOYSA-N 318.402 1.613 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 26505286 CQGQSLDQXDUVQF-QWRGUYRKSA-N 300.380 1.475 0 40 DDAB CCOCCNC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 103568988 VNABJXTZILOJCP-UHFFFAOYSA-N 321.402 1.471 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@H]1Cc1ccccc1)C(=O)N(C)C 46967624 SEEVZKYKUPRWOJ-HIFRSBDPSA-N 303.406 1.880 0 40 DDAB Cc1ccc(CN2CCCN(CCS(C)(=O)=O)CC2)cc1 42684643 SGMVCLDTHJAQCO-UHFFFAOYSA-N 310.463 1.547 0 40 DDAB C[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)n1cccn1 42924085 MOSCLCHQJYGUEF-CYBMUJFWSA-N 312.373 1.887 0 40 DDAB CC(C)[C@H](C(=O)NCc1ccncc1)N1C[C@H](C)O[C@H](C)C1 106515970 OADDOMDFUWXDJV-IJEWVQPXSA-N 305.422 1.832 0 40 DDAB CN(CC(=O)N1CCO[C@@H]2CCC[C@@H]21)c1ccc(Cl)cn1 56195048 REWJLNYOILPMEP-QWHCGFSZSA-N 309.797 1.951 0 40 DDAB C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1C[C@H]2CC[C@H]1C2 107314925 QJHMXHMLOUVEGN-NAKRPEOUSA-N 312.391 1.482 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)C(=O)N1CCC(C)CC1 107504787 BFNYVNLERCNOQT-DJIMGWMZSA-N 323.481 1.870 0 40 DDAB COc1ccc([C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1F 44261669 JHJDVRSOCUIOAY-GFCCVEGCSA-N 322.336 1.732 0 40 DDAB O=C(NC1CC1)[C@H]1CN(Cc2cccc(F)c2F)[C@@H]2CCO[C@H]12 108525680 CXOMIXIVNQIMQM-JGGQBBKZSA-N 322.355 1.833 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(-n3ccnc3)nc2)c1 12544592 BJKUMENVVARAJX-UHFFFAOYSA-N 309.329 1.728 0 40 DDAB CCCNC(=O)Cn1c(=O)n([C@@H](C)CC)c(=O)c2ccccc21 44840664 NWBXNUCOLZYGDG-LBPRGKRZSA-N 317.389 1.660 0 40 DDAB CCN1C[C@H](C(=O)NCc2cnn(-c3ccccc3)c2)CC1=O 44913307 QWWPFECYDSAURO-CQSZACIVSA-N 312.373 1.357 0 40 DDAB Cc1ncc(CN(C)C[C@@H](O)COC[C@@H]2CCCO2)s1 44974888 WRDBKMAOUORGOC-OLZOCXBDSA-N 300.424 1.440 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@@H](O)c1ccccc1F 44955357 HFNNLKBGAFYOJX-CQSZACIVSA-N 306.341 1.445 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)on1 44909153 JEQVJINDWPPHQN-GFCCVEGCSA-N 322.386 1.775 0 40 DDAB CCN(CC(C)C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58342386 FSINNPZTNPFJEJ-UHFFFAOYSA-N 323.418 1.856 0 40 DDAB COc1ccc(OC)c(NC(=O)CSc2nncn2C)c1 3266337 WTSQEGOJETYTSL-UHFFFAOYSA-N 308.363 1.563 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H](C)n1cccn1 28443085 IAHRMNXLDAHXGX-NSHDSACASA-N 319.361 1.786 0 40 DDAB COc1ccc(C(=O)OCC(=O)N2CCCC2=O)c(OC)c1 3357345 PVSZDHYVDLRDDY-UHFFFAOYSA-N 307.302 1.010 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)Nc2cc(C)on2)CC1=O 48355601 ULEYDMBADWQFBV-LLVKDONJSA-N 315.329 1.983 0 40 DDAB CCNc1ncc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cn1 91269827 HUMLPCWBPAMYJU-FZMZJTMJSA-N 300.362 1.760 0 40 DDAB Cc1cc(C)nc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 8234595 ZLGFKPSZGLRWBV-LBPRGKRZSA-N 302.378 1.823 0 40 DDAB CN(C)c1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1 4092021 FJNVTAFNQUCSGW-UHFFFAOYSA-N 318.402 1.846 0 40 DDAB NC(=O)c1cc(NC(=O)CCCNc2ncccn2)ccc1F 49677321 WHRJJPIIFUOESN-UHFFFAOYSA-N 317.324 1.545 0 40 DDAB O=C(OCC(=O)N1CCOCC1)c1ccc2ccccc2n1 5079800 SGXHSDHHKVALKH-UHFFFAOYSA-N 300.314 1.250 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccccc2)C1=O 8323842 DFVLUEBKPATWIZ-ZUZCIYMTSA-N 305.334 1.206 0 40 DDAB COC(=O)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(C)C 6358777 SENAJFYSYBCLRB-CYBMUJFWSA-N 308.334 1.777 0 40 DDAB COc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@@H](C)O2 65615069 NZOVAIAKNRYKNW-MLGOLLRUSA-N 306.406 1.439 0 40 DDAB COc1cccc(CC(=O)N2CCCC[C@H]2CNC(N)=O)c1 69594867 WIMHGECJHYOPLL-ZDUSSCGKSA-N 305.378 1.287 0 40 DDAB CC[C@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230390 BIRPEUVQLSWLBE-NSHDSACASA-N 314.407 1.376 0 40 DDAB Cc1c(Cl)cccc1N(CC(=O)NC(C)C)S(C)(=O)=O 4980173 WXBYZAZZOJLJFY-UHFFFAOYSA-N 318.826 1.939 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 69814941 ICBGCWCXTMPXTP-LLVKDONJSA-N 318.389 1.869 0 40 DDAB CCCSc1nnc(S[C@H](C)C(=O)NC(N)=O)s1 7397692 BWSIJCGBXQCZMY-RXMQYKEDSA-N 306.438 1.716 0 40 DDAB CCc1ccc(S(=O)(=O)Nc2ccn(CC(=O)OC)n2)cc1 67899351 BZUMMBIEQUVHBL-UHFFFAOYSA-N 323.374 1.419 0 40 DDAB CCNC(=O)NC(=O)CN1CCC(Cc2ccccc2)CC1 7788080 SDVQDBQPNPNQSR-UHFFFAOYSA-N 303.406 1.787 0 40 DDAB O=C(NC[C@H]1CO[C@@H]2CN(CC3CC3)C[C@H]12)c1cccnc1 306131464 KFJOBAAUGAEKIU-ARFHVFGLSA-N 301.390 1.168 0 40 DDAB Nc1ncccc1C(=O)N1CCN(c2ccccc2F)CC1 67292099 PRTPTFSZSZIAQV-UHFFFAOYSA-N 300.337 1.765 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)N1CCNC(=O)CC1)[C@H](C)C2 96003567 YCXZFKPKNYESAW-MLGOLLRUSA-N 301.390 1.760 0 40 DDAB CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC(=O)N(C)C1 96415430 BRXTZIMPQZQNKK-CABCVRRESA-N 303.406 1.928 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCCO2 71829873 UGSVOEXDYWRARS-YPMHNXCESA-N 318.373 1.113 0 40 DDAB CN1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC=CCC2)CC1 71885850 UOXVVGKYBVOXKC-DLBZAZTESA-N 305.466 1.971 0 40 DDAB CCN(C(C)=O)c1nc(CN2CC(n3cccn3)C2)cs1 89977094 MUGYSKLNYLNCKH-UHFFFAOYSA-N 305.407 1.769 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 72234061 FBHDUNSSOHHFAG-AWEZNQCLSA-N 314.389 1.713 0 40 DDAB O=C(Cn1cnnn1)N[C@H](c1c(F)cccc1F)C(F)(F)F 97055876 ZCNRKOQMYHWXIG-SNVBAGLBSA-N 321.209 1.371 0 40 DDAB CCc1ccc(C(=O)/N=c2/[nH]cc(C)[nH]2)cc1S(C)(=O)=O 97032250 YQCAJDZDDHDQJF-UHFFFAOYSA-N 307.375 1.358 0 40 DDAB CCOc1cc(N2CCO[C@@](C)(c3cnn(C)c3)C2)ncn1 97162112 BWWCQQXAQJUADA-OAHLLOKOSA-N 303.366 1.361 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1nc(C3CC3)no1)CC2 97202332 AJEQPBFERSBSPV-UHFFFAOYSA-N 300.366 1.361 0 40 DDAB O=C(CN1CCn2ccnc2C1)NCCc1c[nH]c2ccccc12 97201451 DTDVYNGRXQFILX-UHFFFAOYSA-N 323.400 1.539 0 40 DDAB O=C(CN(C[C@H]1CCCO1)C(=O)c1ccoc1)N1CCCC1 72534313 FAJUSQJQDNNOSK-CQSZACIVSA-N 306.362 1.523 0 40 DDAB CCCN(C)c1ccc(C(=O)Nc2n[nH]c(C)c2C(N)=O)cc1 95410980 HTPNARXUGJMNFO-UHFFFAOYSA-N 315.377 1.916 0 40 DDAB CNC(=O)c1cnc(/C=C/c2cccc(-n3cccn3)c2)[nH]c1=O 95414543 HVLSBQYOWMAXTQ-VOTSOKGWSA-N 321.340 1.486 0 40 DDAB CC(C)c1nc(CN(C)[C@@H]2CCN([C@@H]3CCOC3=O)C2)no1 78891749 GNJYIRFDDKWQCI-VXGBXAGGSA-N 308.382 1.015 0 40 DDAB C[C@@](NC(=O)[C@@H]1CCCOC1)(C(N)=O)c1cccc(Cl)c1 98008451 RIVHVGVVBZACID-BMIGLBTASA-N 310.781 1.583 0 40 DDAB C[C@H]1COCCN1c1ncc(Cl)c(N2CCOC[C@@H]2C)n1 78998675 SXURKKLASYHHCD-QWRGUYRKSA-N 312.801 1.580 0 40 DDAB CN1C[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)CC1=O 73955547 CHJSLIULQRLRFS-CQSZACIVSA-N 316.401 1.329 0 40 DDAB COc1cc(CNC(=O)CN(C)[C@H]2CCSC2)ccc1O 89337171 YGVYTTWVGXRFOS-LBPRGKRZSA-N 310.419 1.454 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc(C)on2)c1 25139354 GGKZQIZXDUGRQZ-UHFFFAOYSA-N 323.374 1.163 0 40 DDAB Cc1cnc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cn1 21193625 JKFQCHZDQSUUKT-UHFFFAOYSA-N 306.347 1.409 0 40 DDAB CCS(=O)(=O)NCCSc1nc(-c2ccccc2)n[nH]1 68043952 QZGJJHRXGIYAQO-UHFFFAOYSA-N 312.420 1.503 0 40 DDAB C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCNS(C)(=O)=O 548166269 LVAFBDLDTJMMTQ-DTWKUNHWSA-N 316.345 1.115 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)CC1CC1 306132805 LSNDDMSJFRELAL-VHDGCEQUSA-N 320.433 1.566 0 40 DDAB COc1ccc(NC(=O)c2nnn3cc(C)nc(O)c23)c(C)c1 75163982 UOTDLFNJZIJPNH-UHFFFAOYSA-N 313.317 1.708 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)c1cnn2c1OCCC2 556685971 UCPCLJFODVXHAF-UHFFFAOYSA-N 317.393 1.454 0 40 DDAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(CC(N)=O)C2)n1 72383581 HFIDJWKTOSVYNT-LBPRGKRZSA-N 312.377 1.198 0 40 DDAB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)CN 79409426 XBCZCPFWDWBVTK-STQMWFEESA-N 311.426 1.772 0 40 DDAB CCCc1cc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)no1 563660676 JZQFCCVKDIBYTR-NSHDSACASA-N 305.338 1.818 0 40 DDAB CCOC(=O)c1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C 217352538 DACWPHRPRMJYOH-ZDUSSCGKSA-N 300.380 1.210 0 40 DDAB Cc1cc(N)nc(SCCCN2CCN(C(C)C)CC2)n1 188264145 RNPOSORZCBRSAO-UHFFFAOYSA-N 309.483 1.875 0 40 DDAB CCOC(=O)[C@H]1[C@@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1 218272493 BOZMDNILTMQQNS-ZIAGYGMSSA-N 305.330 1.174 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)COC 218467418 FQJUQKKVUJOQFL-MELADBBJSA-N 317.838 1.832 0 40 DDAB C[C@]12CC[C@H](C[C@@H]1C(=O)O)[C@]1(C2)NC(=O)c2cccnc2N1 72342735 MOLUQBOUIQINHD-MEHYJIPSSA-N 301.346 1.844 0 40 DDAB COC1(c2ccccc2)CCN(C[C@@]2(O)CCCNC2)CC1 72422856 IUPHRYVUMVILRE-QGZVFWFLSA-N 304.434 1.739 0 40 DDAB CCN(CC)S(=O)(=O)c1cncc(Br)c1N 72210851 VXFZCCKFTIGINE-UHFFFAOYSA-N 308.201 1.457 0 40 DDAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1 131724157 HQDAAOXMPYEMBQ-FZMZJTMJSA-N 303.362 1.983 0 40 DDAB NC(=O)c1cc(C2CCN(C(=O)c3cccs3)CC2)n[nH]1 225559550 DGRRAMGEOABWJB-UHFFFAOYSA-N 304.375 1.590 0 40 DDAB CSCC[C@](C)(O)CNS(=O)(=O)Cc1cccc(C)c1 75157548 KWYSDMFMFGFNPP-AWEZNQCLSA-N 317.476 1.919 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@H](Oc3ccc(C)nn3)C2)cn1 225464839 AYRGRMDHQWNIBR-ZDUSSCGKSA-N 313.361 1.567 0 40 DDAB C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2ccoc2)CC1 225398273 JMLVEPQFAOFKPM-NSHDSACASA-N 316.365 1.120 0 40 DDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccco3)C2)nn1 225445048 GLTJBWYUGQFMGO-NSHDSACASA-N 302.334 1.429 0 40 DDAB CN1CCN(c2ncc(NC(=O)c3ccc(F)cc3)cn2)CC1 224252288 XJQDQRQJBHFCSG-UHFFFAOYSA-N 315.352 1.620 0 40 DDAB Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccncc2)n1 49155441 DHAAUCPXKJOJEU-ZDUSSCGKSA-N 323.360 1.841 0 40 DDAB biogenic,in-vitro O=C(CC1CC1)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082016 TUXLCXAUQQEZIE-HOTGVXAUSA-N 313.401 1.689 0 40 DDAB CN(C)C(=O)[C@@]12CCO[C@@H]1CCN(CCc1ccccc1)C2 96038694 WAYYSMJNZQDWOC-SJLPKXTDSA-N 302.418 1.798 0 40 DDAB CCc1ccc([C@@H]2COCCN2C(=O)c2ccc[nH]c2=O)o1 96412792 DTBYWAVVKFSSAJ-ZDUSSCGKSA-N 302.330 1.744 0 40 DDAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(=O)n(C)c1 96487237 JPJXIOSNOSRCCF-JTQLQIEISA-N 304.371 1.838 0 40 DDAB c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)nc1 96047719 TUOGGBCLRAUXOH-WFASDCNBSA-N 317.418 1.779 0 40 DDAB CS(=O)(=O)N1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 96070683 JQDNRJIFNMWBSD-GARJFASQSA-N 313.379 1.059 0 40 DDAB O=C(c1ccco1)N1CCn2nnc(COCC3CC3)c2C1 96255983 PWGODHAZBGWGHX-UHFFFAOYSA-N 302.334 1.454 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96048649 AQXKOGGDYHGZIW-QGZVFWFLSA-N 316.405 1.578 0 40 DDAB COCC(=O)N1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 96209039 CRAMSJZZORRXGY-WBVHZDCISA-N 320.389 1.313 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CCO[C@H]2[C@@H](OC)CC[C@@H]21 96041962 PDNOGUQPFMHTKB-GRDNDAEWSA-N 323.364 1.782 0 40 DDAB C[C@H]1CN(CC(=O)NC[C@H]2CCCO2)c2ccc(F)cc2O1 245289725 DRPNVEMVSABOIZ-WCQYABFASA-N 308.353 1.708 0 40 DDAB c1ccc(COC[C@@H]2CCOC23CN(c2ncccn2)C3)nc1 247845144 MHBZPLQMGGRXCA-AWEZNQCLSA-N 312.373 1.684 0 40 DDAB Cc1ocnc1C(=O)N1CCOC[C@H]1CCc1cnccn1 257220442 DKVXDOQTUHAWNH-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB Cc1cc(N)cc([C@@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257271703 MZKYKQLXIRFNAV-INIZCTEOSA-N 301.394 1.588 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cnccn2)C1 257234196 GSNMEAZOWXMLTH-GFCCVEGCSA-N 312.377 1.403 0 40 DDAB COCC(=O)N1CCC[C@H](c2cnc(-c3cc(C)n[nH]3)cn2)C1 257289541 PZBUAZSKYNTUCG-LBPRGKRZSA-N 315.377 1.528 0 40 DDAB Cc1nsc(Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 271334518 QSKQWTQJBGXJOA-UHFFFAOYSA-N 318.402 1.991 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)c1 44456953 QYYJRKOMGACPQY-GFCCVEGCSA-N 317.432 1.016 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccnc(-n2ccnc2)c1 58097723 WQWGXFARNUYGSN-AWEZNQCLSA-N 322.372 1.808 0 40 DDAB CCOC(=O)N1CCN(c2c(C)c(C)nc3ncnn23)CC1 69967684 AFRKJKCZSWEINZ-UHFFFAOYSA-N 304.354 1.020 0 40 DDAB CC(=O)c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 5045210 CRIFCJXWCSCVHQ-UHFFFAOYSA-N 303.343 1.703 0 40 DDAB COc1ccc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc1F 11064797 VGGDTOWCNKGKTB-UHFFFAOYSA-N 321.312 1.025 0 40 DDAB CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C(C)=C1C(=O)OC 19819092 VIMNJWZORSGKCR-ZDUSSCGKSA-N 316.357 1.623 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619743 XTVYWQYFLZVDAA-LOWDOPEQSA-N 317.297 1.066 0 40 DDAB CNC(=O)c1ccc(B(O)O[C@@]2(C)CC[C@H]3C[C@H]2C3(C)C)cn1 504697702 HZZKWWZLSMDZHF-YLVFBTJISA-N 316.210 1.360 0 40 DDAB in-vitro Cc1ccc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)nn1 1889078010 HZXXTLMWYBKPBI-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB O=C1CS[C@@H](c2ccc(O)cc2)N1CCN1CCOCC1 19799362 FDZYNDUPRDTKGC-HNNXBMFYSA-N 308.403 1.298 0 40 DDAB Cc1cccc(C2(O)CCN(CC3(O)CCOCC3)CC2)c1 1848355260 JBLSYRKMVPJTIG-UHFFFAOYSA-N 305.418 1.820 0 40 DDAB CCCn1nnnc1Cn1cnc2sc(CC)cc2c1=O 24174730 UTLLMCRYPXTDRZ-UHFFFAOYSA-N 304.379 1.465 0 40 DDAB O=C(NCCCn1cc(Br)cn1)c1cnccn1 27928973 MQKAMKOOGOHEHG-UHFFFAOYSA-N 310.155 1.256 0 40 DDAB C[C@@]12C[C@H](CN)N(C(=O)c3ccncc3)[C@@H]1CCCC[C@H]2O 2037844076 NPORNVBFEVPCRK-KCYZZUKISA-N 303.406 1.565 0 40 DDAB CCN1CCO[C@H]2CCN(C(=O)Cc3ccc(C)cc3)C[C@@H]21 1074288397 BSXXZRZAQXXFNM-IRXDYDNUSA-N 302.418 1.859 0 40 DDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1 99266 UAYXRLYZQKWDKN-UHFFFAOYSA-N 315.417 1.633 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)c1 2710763 STGLCJIMFNALPK-QWRGUYRKSA-N 306.387 1.813 0 40 DDAB O=c1[nH]c2ccccc2c(N2CCOCC2)c1N1CCOCC1 9353612 LFJDLXCHEKAAJF-UHFFFAOYSA-N 315.373 1.201 0 40 DDAB CC(C)CC(=O)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738884 XPOQRQGJBQCARY-LBPRGKRZSA-N 319.405 1.930 0 40 DDAB O=C(c1cccc(-n2cccn2)c1)N1CC(Nc2ccncn2)C1 618255707 HWBLPVPTXWOXOK-UHFFFAOYSA-N 320.356 1.599 0 40 DDAB Cc1nc(NCCNC(=O)c2cnccn2)cc(-n2cccc2)n1 85472149 XDLGIGHXLZRHOU-UHFFFAOYSA-N 323.360 1.208 0 40 DDAB Cc1cccc(N2C(=O)N[C@@]3(O)C(=O)c4ccccc4[C@]23O)c1 39380633 ZOFGPHYRDFBESD-IAGOWNOFSA-N 310.309 1.255 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 50081610 VPCNOICTDZKZTG-MRXNPFEDSA-N 317.433 1.493 0 40 DDAB O=C(CCc1nc(-c2ccccn2)no1)Nc1nncs1 30568330 FTQIJUKJUYIFQE-UHFFFAOYSA-N 302.319 1.554 0 40 DDAB CN(Cc1ccc(F)c(F)c1)Cc1nc(N)nc(N(C)C)n1 40496355 IKOHUZCUCOOBND-UHFFFAOYSA-N 308.336 1.430 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 40553818 MEYBMCHMJHWSAO-CABCVRRESA-N 323.414 1.874 0 40 DDAB O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCCCCC1 17321121 LFUGNMZNJMSQLG-UHFFFAOYSA-N 315.373 1.755 0 40 DDAB CCN1CCN(C2CCN([C@@H](C)c3nnc(C)o3)CC2)C1=O 69699779 AAKWRUIARLVXEO-NSHDSACASA-N 307.398 1.661 0 40 DDAB Cc1ccc2ncc(C(=O)NCCC(=O)Nc3ccncc3)n2c1 90502225 RHVAVQNORLOFSV-UHFFFAOYSA-N 323.356 1.796 0 40 DDAB O=C(CCn1nc(O)c2ccccc2c1=O)NCC1CCCC1 31985189 SXTARZBFLKOCAV-UHFFFAOYSA-N 315.373 1.799 0 40 DDAB Cc1c(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cnn1C 32429390 HPFVEKMDBZWJEF-LLVKDONJSA-N 318.446 1.967 0 40 DDAB CCc1ccc(OC[C@@H](O)CS(=O)(=O)c2ccccn2)cc1 6244666 JLRNPYMCBLHNEZ-CQSZACIVSA-N 321.398 1.858 0 40 DDAB CCOC(=O)N[C@@H](C(=O)NCc1nnc2ccccn12)C(C)C 32911701 OUBSVDMHSAWKCY-CYBMUJFWSA-N 319.365 1.116 0 40 DDAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 22606503 DPVKHRKYYPPTIQ-UHFFFAOYSA-N 311.190 1.823 0 40 DDAB CCn1nc(C(=O)OCCn2cccn2)c2ccccc2c1=O 52766148 JSIREXAQHKJIGX-UHFFFAOYSA-N 312.329 1.470 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1csc(Br)c1 29959403 IHIMKLVBGORFFC-SSDOTTSWSA-N 324.221 1.428 0 40 DDAB COc1cc(CNC(=O)NCC(F)(F)F)ccc1OCCO 56380332 JUWFMODOKRKRPI-UHFFFAOYSA-N 322.283 1.428 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)CN1CCCCC1)C2=O 100628389 SFPMCNGQOVTBMP-GLJUWKHASA-N 322.449 1.645 0 40 DDAB CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100394079 IKLHAPIXQITRCX-AESLDDEASA-N 303.358 1.539 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355051 UERQTPXRCRCUNX-IUODEOHRSA-N 308.353 1.498 0 40 DDAB CN1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO 104346091 ITOBCSMIRNAWMP-MRXNPFEDSA-N 306.454 1.956 0 40 DDAB C[C@H](NC(=O)N1CCC[C@H]1Cc1ccccc1)C(=O)N(C)C 46967623 SEEVZKYKUPRWOJ-ZFWWWQNUSA-N 303.406 1.880 0 40 DDAB C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(-n2ccnc2)cc1 23155150 JQALCEPPIHQMIO-GFCCVEGCSA-N 323.356 1.457 0 40 DDAB COc1ccc(CCNc2ccc(S(N)(=O)=O)cn2)cc1 23674356 SBMUTMPIODFRQL-UHFFFAOYSA-N 307.375 1.392 0 40 DDAB C[C@H](NC(=O)C(=O)NCc1ccccn1)c1ccc(F)cc1 22540608 YJOOGVJGMUYUES-NSHDSACASA-N 301.321 1.714 0 40 DDAB CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917197 WKMQTKDTSORNRI-UHFFFAOYSA-N 312.373 1.977 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2OC)C1 12411121 QQHHVNFILKZSBA-UHFFFAOYSA-N 316.361 1.129 0 40 DDAB C[C@H]1CN(C(=O)[C@H](C)N2CCC(c3ccn[nH]3)CC2)C[C@@H](C)O1 106178801 IFXSRLUHLVXPNG-MJBXVCDLSA-N 320.437 1.613 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCCC2)cc1 3073105 JRYPLFIWRQBLOB-UHFFFAOYSA-N 311.407 1.079 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)c2ccccn2)C1 47620926 SOJUSBAUDLNKCT-JHJVBQTASA-N 310.419 1.748 0 40 DDAB O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)cc1 106665446 SWUHWMBCUFVWRE-JKSUJKDBSA-N 305.353 1.457 0 40 DDAB Cc1csc(N2CCN(CCCN3CCCC3=O)C[C@H]2C)n1 106775802 FCXHYNYFICKWPD-CQSZACIVSA-N 322.478 1.975 0 40 DDAB C[C@H](OC(=O)[C@H]1CC(=O)N(C)C1)C(=O)c1c[nH]c2ccccc12 47735220 RBGZQAKWINILQT-QWRGUYRKSA-N 314.341 1.761 0 40 DDAB C[C@H](C(=O)NC(N)=O)N(C)Cc1ccccc1OC(F)(F)F 25242782 RRCUKHKYGBWVIK-MRVPVSSYSA-N 319.283 1.600 0 40 DDAB C[C@H](O)CN1CCN(CC[S@@](=O)c2ccccc2)C[C@@H]1C 106906594 ZNIZEYFUAOKWMH-GXZWQRSESA-N 310.463 1.181 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)n1 56952412 SUYDVQLJGJXACW-AWEZNQCLSA-N 303.366 1.514 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN(C)CC(=O)N(C)C)cc1C 26882649 XPFSLTXUNNLHKQ-AWEZNQCLSA-N 305.422 1.501 0 40 DDAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(CCO)CC1 57798582 JXOZWLQSMARULZ-QGZVFWFLSA-N 319.449 1.206 0 40 DDAB NC(=O)c1cccc(CNC(=O)NCc2ccccc2F)c1 27349163 XGJPDLOXROIXOS-UHFFFAOYSA-N 301.321 1.924 0 40 DDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1cccc(Cl)c1 3285092 PVUWNZZHSJMWKF-LLVKDONJSA-N 315.826 1.746 0 40 DDAB COC(=O)C[C@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1 58217280 RXTFDQGZMILELQ-ZDUSSCGKSA-N 323.374 1.003 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21 44910224 UFRGCDXPAGMXMI-DGCLKSJQSA-N 324.402 1.244 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Cn1nc(O)ccc1=O 44942155 BNBSPBIPPCBGGP-SNVBAGLBSA-N 321.764 1.350 0 40 DDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1cc[nH]n1 44977915 AGRCRDOTIPFUIJ-INIZCTEOSA-N 314.389 1.409 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC2CC2)nc1 58330009 RCIUVDGXAXQOOO-HNNXBMFYSA-N 324.384 1.482 0 40 DDAB CC(=O)NCCC(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 7977441 HOALFUBIJHWKBT-UHFFFAOYSA-N 308.334 1.086 0 40 DDAB COCCNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 58432227 SFSWYUSBWQCKLI-MRVPVSSYSA-N 312.420 1.619 0 40 DDAB COc1ccc(CCN(C)C(=O)[C@@H](C)n2cncn2)cc1OC 45239809 KKWVRVNQWROXTA-GFCCVEGCSA-N 318.377 1.557 0 40 DDAB CN(C)Cc1cc(CC2(NCc3cccnc3)COC2)no1 67897812 NQBLPBTVFVDFOU-UHFFFAOYSA-N 302.378 1.233 0 40 DDAB biogenic,in-vitro C[C@@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccncc1 81470911 WVHNNSXDYKDNSX-BXKDBHETSA-N 303.284 1.851 0 40 DDAB C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccncc1 81470908 WVHNNSXDYKDNSX-JOYOIKCWSA-N 303.284 1.851 0 40 DDAB COC(=O)CNC(=O)c1ccc(OC)c(Br)c1 12904604 BKRVZBQOQYJCCD-UHFFFAOYSA-N 302.124 1.361 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc2c(c1)OCO2 3513142 ZVWHTWMACAUAIY-ZETCQYMHSA-N 307.335 1.058 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69771556 GEURKOXCQCZOPH-UKRRQHHQSA-N 312.454 1.353 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1 38342067 WRFNKRQIINADQG-UHFFFAOYSA-N 312.269 1.123 0 40 DDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H](n2cccn2)C1 69421061 BUVRNPACXPVMHR-MRXNPFEDSA-N 322.372 1.941 0 40 DDAB CC1CCC(C)(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1 69433895 GYSQXDWJOFGZPO-UHFFFAOYSA-N 316.361 1.310 0 40 DDAB C[C@@H](NC(=O)CCC(=O)NC[C@@H]1CCCO1)c1ccccc1 4599318 HAYDJLJKSIYLQX-HIFRSBDPSA-N 304.390 1.939 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(C)cc1 6652869 IVNLELQAJFUPMT-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB NOCC(=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 5771135 HLPYBCOYWIGYCE-BDJLRTHQSA-N 300.314 1.554 0 40 DDAB COc1ccccc1-n1cnnc1SCC(=O)NC1CC1 4895118 RYVYNVWUODCDOD-UHFFFAOYSA-N 304.375 1.647 0 40 DDAB CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccco1 6851334 SKEZYAUTXUWFQC-SSDOTTSWSA-N 309.351 1.234 0 40 DDAB CN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 4982928 XPBQSYLKVLARIE-UHFFFAOYSA-N 309.377 1.021 0 40 DDAB COc1ncccc1C(=O)NC[C@@H](O)COc1ccc(F)cc1 67146996 NNLKEJLYVZELNL-GFCCVEGCSA-N 320.320 1.399 0 40 DDAB Cc1c(CCC(=O)NC(C)(C)CO)c(=O)oc2cc(O)ccc12 8764308 LVSGMZNQKJNIHU-UHFFFAOYSA-N 319.357 1.627 0 40 DDAB biogenic COc1ccc(CCC(=O)NCCCCn2ccnn2)cc1F 96007926 WXONGMRKXVJALX-UHFFFAOYSA-N 320.368 1.955 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)Cc1ccccc1O 96003258 NSXRSNUJNYKNGN-UHFFFAOYSA-N 300.362 1.449 0 40 DDAB CCCc1nc(C[S@@](=O)CC(=O)NCc2ccccc2)no1 75572910 SFKKAFHGVUEHOK-QFIPXVFZSA-N 321.402 1.587 0 40 DDAB CC(C)N1C[C@@H](NC(=O)NC[C@@H](c2ccco2)N(C)C)CC1=O 72293225 BGRGAJQONHRLEZ-STQMWFEESA-N 322.409 1.191 0 40 DDAB O=C(c1cn(-c2ccccc2)nn1)N1CCN2CCCC[C@@H]2C1 71839816 ZMZQJRXVEMXVTD-OAHLLOKOSA-N 311.389 1.578 0 40 DDAB O=C1CN(C(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)CCN1 71856402 JEDKAMCHKZYBQC-INIZCTEOSA-N 321.808 1.339 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(c2ncnc3ccsc23)C1 71830515 ORFVQIDEESKRQK-SNVBAGLBSA-N 303.391 1.685 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@H](CC(C)C)N1CCCC1 71857149 QPCNQYPEWGBZTE-AWEZNQCLSA-N 322.457 1.608 0 40 DDAB CN1CC[C@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)C1=O 71915400 XLGDJSSIVCOLCH-LBPRGKRZSA-N 318.764 1.486 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cnn(C)c2)cc1 97113261 VGWJBCRSYSUMDC-ZDUSSCGKSA-N 307.419 1.681 0 40 DDAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCNC(=O)CC1 97162080 QTGHXIVBCIZAGQ-NSHDSACASA-N 321.425 1.539 0 40 DDAB Cc1n[nH]c(C(N)=O)c1NS(=O)(=O)c1ccccc1Cl 78601472 RXHHMYDUFBTFKR-UHFFFAOYSA-N 314.754 1.271 0 40 DDAB CS(=O)(=O)NCCCOC(=O)CCn1ccc2ccccc21 95377413 LASKREXQHGRHMS-UHFFFAOYSA-N 324.402 1.514 0 40 DDAB CC(=O)N1CCN(CCN[C@H](C)[C@@H](C)c2ccccc2)CC1 95420280 CSPHCIFMPKKURB-HZPDHXFCSA-N 303.450 1.932 0 40 DDAB Cn1cccc1[C@@H]1CCCCN1C(=O)CCCS(C)(=O)=O 95405788 ZBDOFTHZXBZJDE-AWEZNQCLSA-N 312.435 1.904 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)c(F)cc1F 95441151 CPNWQXUIUKEFPX-BXKDBHETSA-N 305.346 1.713 0 40 DDAB Cc1nccn1CCCOc1ccc(S(=O)(=O)N(C)C)cc1 95455427 PIPPQTWRIUDZHZ-UHFFFAOYSA-N 323.418 1.911 0 40 DDAB C[C@@H](NC(=O)Cc1ccon1)C1(N2CCOCC2)CCCC1 85293324 UJBLPAJGZCHIAP-CYBMUJFWSA-N 307.394 1.367 0 40 DDAB COc1ccnc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)n1 95975497 CHUZOXDRPZVOLT-ZDUSSCGKSA-N 300.362 1.597 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1COc2ccccc2C1=O 95986912 GASNYBHZLJFFCK-AWEZNQCLSA-N 313.357 1.340 0 40 DDAB C[C@@H](O)CN(C(=O)NCc1nnc2n1CCC2)C1CCCCC1 95942732 WKABEPXFNPSXRE-GFCCVEGCSA-N 321.425 1.449 0 40 DDAB CC1(C)CCC[C@H]1NCCS(=O)(=O)NC[C@H]1CCCCO1 89596691 CGICRVDOFCTTGW-ZIAGYGMSSA-N 318.483 1.643 0 40 DDAB Cc1cncnc1[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 72364472 IIXCOOVNUQAJSL-LBPRGKRZSA-N 321.406 1.087 0 40 DDAB Cc1nc2ccc(NCCCN3CCC(C(=O)O)CC3)nn2n1 518984758 GNRKQXGMBUHFTF-UHFFFAOYSA-N 318.381 1.031 0 40 DDAB Cc1ccsc1[C@@H](O)CNC(=O)C(=O)NCc1cccs1 70635788 LFHPMYQCMQTFTD-NSHDSACASA-N 324.427 1.584 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3C)cn2)n1 31115772 ZRDOACOAVYJICE-ZDUSSCGKSA-N 300.362 1.745 0 40 DDAB N=C1O[C@H]2CSC[C@H]2N1C(=O)c1ccc2c(c1)OCCO2 72342801 MXSSRIDNJJNADD-SKDRFNHKSA-N 306.343 1.349 0 40 DDAB CN(CC(C)(CO)CO)C(=O)Nc1ccc2ccn(C)c2c1 181982838 ACLWIHKSWPERLL-UHFFFAOYSA-N 305.378 1.633 0 40 DDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1 13690825 FCTGLEJIEDUYAR-UHFFFAOYSA-N 311.388 1.696 0 40 DDAB CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCC2)Oc2ccccc21 35511571 YOQWGPNJEZYIBF-AWEZNQCLSA-N 324.402 1.272 0 40 DDAB CCN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1cccs1 32800761 XBRBYLGFWXLFCF-UHFFFAOYSA-N 318.464 1.873 0 40 DDAB CN1C(=O)C[C@H](C(=O)N2CCSCC2)[C@@H]1c1ccc(F)cc1 72242298 SGWJEPYZMIFVKF-ZFWWWQNUSA-N 322.405 1.921 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241905 ROWZVAPHBYRCDC-GOEBONIOSA-N 322.380 1.888 0 40 DDAB CC(=O)N1CCC(c2cnc(NC3CCOCC3)cn2)CC1 72365469 PXXAOJLWRDAGCF-UHFFFAOYSA-N 304.394 1.793 0 40 DDAB CCO[C@](C)(C(=O)Nc1ccc(OCC(N)=O)cc1)C1CC1 225722737 MCPRFYYEUXWEKL-INIZCTEOSA-N 306.362 1.694 0 40 DDAB CC(=O)Nc1ccc(CN2CC[C@@H](C)S(=O)(=O)CC2)cc1 192050722 XHEMKWSBWVFKSK-GFCCVEGCSA-N 310.419 1.654 0 40 DDAB CN1CCC(N(C)S(=O)(=O)c2ccc(N(C)C)cc2)CC1 195580584 NBOKLDPTBTXUGB-UHFFFAOYSA-N 311.451 1.467 0 40 DDAB CC[Sn](O)(c1ccccc1)c1ccccc1 231981777 BWMYSZXHKWUXMJ-UHFFFAOYSA-M 318.992 1.759 0 40 DDAB CC[C@H](C)n1cnc(S(=O)(=O)N2CCCn3ncnc32)c1 96471623 NUIXMVNYIBUYSF-JTQLQIEISA-N 310.383 1.045 0 40 DDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 96041013 SUJJDKVWWVQPNV-XIRDDKMYSA-N 300.402 1.945 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2ncnc(NC3CC3)c2CC1 96255493 SBSGNVRXMKBSSP-NSHDSACASA-N 302.378 1.015 0 40 DDAB CC(C)c1n[nH]c(NC(=O)Cn2nc3c(cc2=O)CCCC3)n1 95474963 LWWMKFJTOJKZQM-UHFFFAOYSA-N 316.365 1.002 0 40 DDAB CC(C)Cc1cnc(NC(=O)N2CCN(CCO)CC2)s1 95418818 SQTVKHPMPWHJQJ-UHFFFAOYSA-N 312.439 1.483 0 40 DDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)COc1ccccc1)C2 96215013 NWRFJAFOYDJREE-MAUKXSAKSA-N 318.417 1.492 0 40 DDAB CC(C)CN1CCO[C@H]2CCN(C(=O)c3csnn3)CC[C@@H]21 96082183 ZVPMVFAQJZGERK-KBPBESRZSA-N 324.450 1.500 0 40 DDAB CCCCn1nnnc1CN1CCO[C@@H](c2nc(C)cs2)C1 97199597 APUCWHFJOQRLIU-GFCCVEGCSA-N 322.438 1.812 0 40 DDAB Cc1nn2cccnc2c1C(=O)Nc1cnn(CC(F)F)c1 96408621 VTSVAWRLQKOESR-UHFFFAOYSA-N 306.276 1.752 0 40 DDAB C[C@@](O)(CNC(=O)N[C@@H]1COc2ccccc21)c1ccco1 96439600 RHEPWKNHKCZAML-MLGOLLRUSA-N 302.330 1.920 0 40 DDAB O=C(CNC(=O)c1ccccc1-n1cnnn1)c1ccccc1 95472564 HIZIPEOOFJXQSG-UHFFFAOYSA-N 307.313 1.275 0 40 DDAB COc1ncccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@@H]2C1 96042697 UOMIWQWFMVXDOH-NWANDNLSSA-N 319.405 1.158 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)N[C@@H]3C[C@H]4CC[C@H]3O4)c2)n1 249371550 WTLGUKBSDQJDPV-MGPQQGTHSA-N 313.361 1.924 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cc[nH]n3)n2)C1 257220409 DKTDDPCAIVXAHQ-LLVKDONJSA-N 321.406 1.081 0 40 DDAB Cc1cc(NC2CC3(CCN(C(=O)c4ccncn4)C3)C2)ncn1 257292421 QLIYWLGMNMUCNG-UHFFFAOYSA-N 324.388 1.682 0 40 DDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)Cn2cc(C)cn2)C1 257274276 NKHPBWWUJYVJRH-JKSUJKDBSA-N 318.421 1.441 0 40 DDAB Cc1nc(NC(=O)Cn2cc(C(=O)O)ccc2=O)sc1C 257197950 OJSIBIJRRDCTHE-UHFFFAOYSA-N 307.331 1.259 0 40 DDAB CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCCN3)o2)CC1 257267457 MHKICLPXKWVARU-NSHDSACASA-N 314.411 1.023 0 40 DDAB Cc1cccc(N2N=C(C(=O)NC[C@@H]3CCOC3)CCC2=O)c1 41379127 KVYLULZFEDXDMJ-ZDUSSCGKSA-N 315.373 1.631 0 40 DDAB O=C(N1CC[C@@]2(CCCO2)[C@@H](O)C1)C1(c2ccccc2F)CC1 257301123 RXCIDXZVLFLSNS-YJBOKZPZSA-N 319.376 2.000 0 40 DDAB CCOc1ncccc1C(=O)N1CCOC[C@H]1c1[nH]ncc1C 257226982 FNBPNHYBXPXAKL-ZDUSSCGKSA-N 316.361 1.726 0 40 DDAB CO[C@H]1CN(C(=O)c2cn3c(C)cccc3n2)C[C@@]12CCCO2 257208989 BOLVAQZKRMXRCS-YOEHRIQHSA-N 315.373 1.663 0 40 DDAB CCN1CCC(N2CCO[C@H](c3nc(C)cc(O)n3)C2)CC1 257216395 CUKACMZIVZPRBH-AWEZNQCLSA-N 306.410 1.348 0 40 DDAB CCN(Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O 575420160 GNIJMJZLNOWBTN-CHWSQXEVSA-N 303.811 1.320 0 40 DDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccco2)C1 575406320 ZRWQQOAYHCRMRX-CQSZACIVSA-N 316.361 1.332 0 40 DDAB O=c1cc(C2CC2)ncn1CC1CCN([C@H]2CC[C@@H]2O)CC1 585630297 UAEQVUCJNIEJFR-HOTGVXAUSA-N 303.406 1.356 0 40 DDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1 56997364 QKCOIZSWOQKYTQ-UHFFFAOYSA-N 307.825 1.988 0 40 DDAB O=c1oc(-c2cccs2)nn1CN1CCO[C@@H]2CCC[C@@H]21 57100771 VDQVSRDAWQJDNR-WDEREUQCSA-N 307.375 1.776 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccnc2)C1 57315154 HQRQDBQBDFOZPK-OCCSQVGLSA-N 305.378 1.085 0 40 DDAB Cc1cc(N(C)CC(=O)N2CCCC2)nc(-c2ccncc2)n1 57825873 RHZDGJQZKGVEKX-UHFFFAOYSA-N 311.389 1.906 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CNC(=O)NC1CC1 58307973 JFQWDHKLBDIFGK-SNVBAGLBSA-N 309.797 1.849 0 40 DDAB CCN(CCC(=O)OC)C(=O)[C@H]1COc2cc(OC)ccc2C1 58390899 FOHFERARNFCUSG-CYBMUJFWSA-N 321.373 1.658 0 40 DDAB C[C@H]1CN=C(N2CCN(Cc3nnsc3Cl)CC2)S1 84715277 SJPGDXCIPNKGJA-QMMMGPOBSA-N 317.871 1.800 0 40 DDAB O=C1NC(=O)C([C@H](c2ccccc2)c2ccc(F)cc2)C(=O)N1 5604355 BERIJZCUAPSUTR-CYBMUJFWSA-N 312.300 1.940 0 40 DDAB CCC(=O)N1C(=O)[C@H](C)[C@@]23c4ccccc4C(=O)N2CCCN13 5662638 RRQUVGMUTHUYRK-APPDUMDISA-N 313.357 1.331 0 40 DDAB Cn1c(=O)c(I)c(O)c2ccccc21 5730905 PICINENQXCVLTM-UHFFFAOYSA-N 301.083 1.849 0 40 DDAB Cc1cc(NC(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)no1 14032312 WSNTYTOEVGKMQQ-SECBINFHSA-N 306.347 1.524 0 40 DDAB COCCC(=O)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 19699027 FECPRPGIXIVEFN-CYBMUJFWSA-N 300.362 1.983 0 40 DDAB COC(=O)/C=C1\S[C@](OC)(N(C)c2ccccc2)N(C)C1=O 1607467 WGNKSFGEFVHWDM-KUGGDMIFSA-N 322.386 1.643 0 40 DDAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nn1cnnc1 162962 BNOGNPXDPWIWLR-UHFFFAOYSA-N 315.120 1.382 0 40 DDAB CCOC(=O)CNC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225712687 KJUNUJCSCBORTP-LLVKDONJSA-N 310.375 1.259 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)NC1CCCC1 4316925 KBSDKLONZKSZBA-UHFFFAOYSA-N 307.419 1.800 0 40 DDAB O=C(C1CC1)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19405834 FZGJDNCRBBFOKZ-CYBMUJFWSA-N 310.357 1.558 0 40 DDAB CC1(C)[C@]2(C(=O)NCCCN3CCOCC3)CC[C@@]1(C)C(=O)C2 19873581 SYBVAYYARAAZTJ-ZWKOTPCHSA-N 322.449 1.610 0 40 DDAB O=S(=O)(NC1CCN(C[C@H]2CCCCO2)CC1)C1CC1 1850157669 ZCAKOJJUNUVUJS-CYBMUJFWSA-N 302.440 1.102 0 40 DDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C)sc1C 24686371 RWKGRJQMNXFLQX-NSHDSACASA-N 316.448 1.654 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC(Oc3cccnc3)C2)cc1 238879601 OXOCJTJQSOVQCQ-UHFFFAOYSA-N 312.325 1.772 0 40 DDAB CC1CCN(C(=O)[C@]23C[C@@H]2CCN3C(=O)c2cnco2)CC1 2056225245 LXIUCRJEMACWIZ-LRDDRELGSA-N 303.362 1.538 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2csnn2)Cc2cn(C)nc21 1614934037 NJFFHFKOWKICGU-JTQLQIEISA-N 307.379 1.048 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@]12CCN(C(=O)C1CC(F)(F)C1)C2 1565543439 CZRFCXNTPSMDAB-IUODEOHRSA-N 312.360 1.939 0 40 DDAB COc1cnccc1C(=O)N1C[C@H]2CN(CC(C)C)C(=O)[C@H]2C1 1565555334 XDZVFWNXDJAZNX-OCCSQVGLSA-N 317.389 1.277 0 40 DDAB CNC(=O)CSc1nnc(NC(=O)NC(C)(C)C)s1 4851512 MLIRANOPFHZRKY-UHFFFAOYSA-N 303.413 1.296 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2cccc(C)c2)C1 2055772602 AWYJMBHKIZCMCM-GOSISDBHSA-N 312.417 1.929 0 40 DDAB CN(C[C@@H]1CCCN1c1cccnn1)C[C@H](O)C(F)(F)F 97378022 ITLXXIOFGUAGQX-QWRGUYRKSA-N 304.316 1.300 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCc3sccc3C2)C[C@H](C)O1 40039967 CCBPYMWZFUOBNX-QWRGUYRKSA-N 316.448 1.460 0 40 DDAB COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1 40489062 VEZNANNHUAFHTL-UHFFFAOYSA-N 301.350 1.338 0 40 DDAB C[C@@H]1CN(CCNC(=O)[C@@H](C)OCc2ccccc2)C[C@@H](C)O1 40516200 KAYNYDSRIWDUHH-BZUAXINKSA-N 320.433 1.817 0 40 DDAB CCOc1ncccc1C(=O)N1CCCN(CCOC)CC1 40541213 UAWJKRRKAXJPTC-UHFFFAOYSA-N 307.394 1.275 0 40 DDAB COC(=O)CCNC(=O)CN1C[C@@H](C)Oc2ccc(C)cc21 81572035 CIIQETTVQZDISD-GFCCVEGCSA-N 306.362 1.262 0 40 DDAB Cc1csc(NC(=O)c2cccnc2N2CCOCC2)n1 29120441 MYMRJPYEANFWDO-UHFFFAOYSA-N 304.375 1.935 0 40 DDAB OCCN(CCO)C[C@H](O)COc1ccc(Cl)cc1Cl 2679989 PALOEAWHSCPFER-NSHDSACASA-N 324.204 1.020 0 40 DDAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20745261 XTDSRDUNMLTKBC-CQSZACIVSA-N 305.309 1.207 0 40 DDAB O=C(NCCO)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 20727286 NQEHIGCKBMRKQO-VIFPVBQESA-N 316.279 1.167 0 40 DDAB CN(C)c1nc(Cl)nc(N(C#N)CCOc2ccccc2)n1 366105 UUCKQQFJPSRZRH-UHFFFAOYSA-N 318.768 1.957 0 40 DDAB CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 4399716 VNRSRVXFGIQMBW-UHFFFAOYSA-N 319.405 1.627 0 40 DDAB O=C(NCCc1cccnc1)[C@H]1CCCN(c2cnccn2)C1 29787264 YGIRMURRANJBHJ-HNNXBMFYSA-N 311.389 1.447 0 40 DDAB C[C@H](O)CNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983880 WUIZLFBGHCJEGL-GQVHDAKQSA-N 313.357 1.283 0 40 DDAB O=C(N[C@H](Cc1c[nH]cn1)C(=O)N1CCCC1)C1CCCC1 6001615 BFXBKZKSACANKU-CQSZACIVSA-N 304.394 1.250 0 40 DDAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 6415580 YBKMWJGWWQEDGR-WDEREUQCSA-N 316.398 1.797 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 32738231 RNQBKAZMJFOYPX-JTQLQIEISA-N 305.378 1.487 0 40 DDAB C[C@@H](CNC(=O)Nc1ccc(N(C)C)nc1)Cn1cccn1 52462623 LRCXDXOGVSHOSF-LBPRGKRZSA-N 302.382 1.802 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccncc1 46629238 CSNJMCOFGHOMKW-DGCLKSJQSA-N 311.407 1.073 0 40 DDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NCC(F)(F)F 8281878 OZSDOVXVJGJSSU-SNVBAGLBSA-N 319.235 1.048 0 40 DDAB O=S(=O)(N1CCCCCC1)N1CCN2CCCC[C@@H]2C1 32927706 YRKAIBSUEMLODP-CQSZACIVSA-N 301.456 1.277 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]cc1-c1ccccc1 32928412 KAPIAMPUDIWDQF-LBPRGKRZSA-N 304.371 1.599 0 40 DDAB COC[C@H](C)N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 8245152 RYKGZUUMWFDFRV-WDEREUQCSA-N 320.345 1.237 0 40 DDAB Cn1c(-c2cccnc2)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 102999717 ZDLZDVQVPSPYEQ-XWIASGKRSA-N 318.358 1.268 0 40 DDAB Cn1cnn(CN2CCN(c3ccccc3O)CC2)c1=S 53492095 MIYDCBZVSDDIKF-UHFFFAOYSA-N 305.407 1.436 0 40 DDAB CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccccc2)CC1 22699129 RRWSWNQYJWFDGM-CQSZACIVSA-N 303.406 1.246 0 40 DDAB C/C=C/c1cc(C(=O)NCCNC(C)=O)cc(OC)c1OC 22759060 ZHXAOUKBLDPWTC-AATRIKPKSA-N 306.362 1.603 0 40 DDAB Cc1nnc2n1CCN(C[C@@H](O)COCc1ccccc1F)C2 69653083 RGWKKGAEKNMFEX-CQSZACIVSA-N 320.368 1.119 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)s1 24070690 VTHOJAPDZAADEU-UHFFFAOYSA-N 310.400 1.981 0 40 DDAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCCO)cc1 25038615 KOQDKICCYKPKSO-UHFFFAOYSA-N 324.336 1.843 0 40 DDAB CC(C)=C[C@@H]1[C@H](C(=O)NC2CCN(CC(N)=O)CC2)C1(C)C 25518094 PULSZZYYNWVHKJ-UKRRQHHQSA-N 307.438 1.291 0 40 DDAB CON(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1 43728544 RLOHQARIHGWZRG-UHFFFAOYSA-N 309.343 1.887 0 40 DDAB CCOC(=O)[C@](O)(C1C(=O)CC(C)(C)CC1=O)C(F)(F)F 100642213 IBSXGAROORABTI-GFCCVEGCSA-N 310.268 1.417 0 40 DDAB NC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 44556889 VQCOCQRBFDYNHF-SECBINFHSA-N 306.790 1.981 0 40 DDAB COc1ccc(CN(C)Cc2nc(N)nc(N(C)C)n2)cc1 27347037 UKJAJZLGXBFFPK-UHFFFAOYSA-N 302.382 1.160 0 40 DDAB CCN1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 20040549 SVLIUCBBQVZESO-UHFFFAOYSA-N 315.417 1.587 0 40 DDAB C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccc2c(c1)OCO2 3285393 XAOWKPFLTRLJGM-SNVBAGLBSA-N 314.297 1.994 0 40 DDAB C[C@H](OC(=O)c1nccnc1N)C(=O)c1c[nH]c2ccccc12 10139135 CSEBPYSACRHABK-VIFPVBQESA-N 310.313 1.968 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)COC)cc1 58264327 SOCXMYSTZCAWRQ-LLVKDONJSA-N 315.391 1.519 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc[nH]1 58265424 PDJKHKIKCPKXGG-UHFFFAOYSA-N 312.778 1.872 0 40 DDAB CC(C)Cn1c(N)c(-c2csc(C3CC3)n2)c(=O)n(C)c1=O 44910786 WKNMJUVTHDFBFI-UHFFFAOYSA-N 320.418 1.786 0 40 DDAB CN(C)C(=O)[C@@H]1CN(CC(=O)OC(C)(C)C)c2ccccc2O1 58369473 YWAUZZYVSKJOKH-AWEZNQCLSA-N 320.389 1.684 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ncccc1O 58391793 ZVPGNOOFXFTBEP-UHFFFAOYSA-N 306.343 1.751 0 40 DDAB CC(C)c1ccc(O)c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 58316198 ZSJISYJVCXKKSA-LLVKDONJSA-N 311.403 1.680 0 40 DDAB COC[C@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 58889879 RSCCSYCRWKCWHP-JTQLQIEISA-N 316.365 1.831 0 40 DDAB O=C1NC(=O)c2c(NC(=O)[C@H]3COc4ccccc4O3)cccc21 3313068 HHWUENXEHRNNBO-CYBMUJFWSA-N 324.292 1.349 0 40 DDAB COCCN1C[C@@H](C(=O)NCc2cc3ccccc3o2)CC1=O 48362012 PVVNLEICDDUEJB-ZDUSSCGKSA-N 316.357 1.544 0 40 DDAB CN1CCN(c2cc(CNC(=O)[C@@H]3CC=CCC3)ccn2)CC1 48330597 ONGQKTFGQXAGCU-MRXNPFEDSA-N 314.433 1.806 0 40 DDAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCNC(=O)C1 12883804 DTGVVQJQEZNQBH-UHFFFAOYSA-N 310.781 1.766 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@H](C)N(C)C)C(=O)Nc1nccs1 91842711 ZBSGOHBNTCVNIH-WDEREUQCSA-N 312.439 1.563 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccccc1 12926425 KSTKUERTPHMQBL-UHFFFAOYSA-N 318.398 1.615 0 40 DDAB COc1cc(CCC(=O)NC[C@H]2CCCO2)cc(OC)c1OC 12912196 KIMZZXDPJSWAOS-CYBMUJFWSA-N 323.389 1.940 0 40 DDAB CCc1noc(CN(C)CCc2nc3ccccc3c(=O)[nH]2)n1 69744102 ORNRZENUYIZOOL-UHFFFAOYSA-N 313.361 1.543 0 40 DDAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)[C@H]1CCCO1 29958861 SDYHWDRJPMZIIP-QMTHXVAHSA-N 301.346 1.149 0 40 DDAB C[C@@H](C(=O)Nc1cccc(N2CCOC2=O)c1)S(C)(=O)=O 49675291 UZXRMBFYTVYMBY-VIFPVBQESA-N 312.347 1.015 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)c2n1 69849420 RODPLVRCMBBRMI-HUUCEWRRSA-N 313.405 1.737 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)C)cc1 6053863 GLWLWPYRBDJQNZ-RMKNXTFCSA-N 320.345 1.486 0 40 DDAB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1ccccc1 6196343 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1.970 0 40 DDAB C[C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCSCC1 95435580 PRSORINBONCPGT-KBPBESRZSA-N 320.462 1.214 0 40 DDAB C[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O)n1cccn1 95463998 NLCIEIUVSLLCOB-GXFFZTMASA-N 305.309 1.395 0 40 DDAB COc1ccc2c(c1)C[C@@H](NC1CCN(C(N)=O)CC1)CC2 95973574 PMMIUKMYYXHEJH-HNNXBMFYSA-N 303.406 1.685 0 40 DDAB COC(=O)[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1 89371288 UURLSFLLEHQQCY-CABZTGNLSA-N 315.728 1.846 0 40 DDAB c1ccc(-n2nnnc2CN2CCn3c(nnc3C3CC3)C2)cc1 78787980 AVHOMJPYBALQGB-UHFFFAOYSA-N 322.376 1.147 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1cn[nH]c1 75118805 ZNILMOWPWXQTJD-UHFFFAOYSA-N 310.317 1.045 0 40 DDAB COCc1ccccc1C(=O)N1CCO[C@H](CC(=O)OC)C1 75104472 XIFQOULFCUWDRV-CYBMUJFWSA-N 307.346 1.237 0 40 DDAB CCS[C@@H]1CC[C@H](NC(=O)NCCc2nnc3n2CCC3)C1 86425777 PWVJNPOFZXVIAI-NWDGAFQWSA-N 323.466 1.740 0 40 DDAB CN(C)C(=O)NCC[C@H]1CN(Cc2ccoc2)Cc2ccnn21 306136081 PIODZIRWXLLPSK-AWEZNQCLSA-N 317.393 1.694 0 40 DDAB CN1CCOC[C@H]1C(=O)Nc1ccc(Nc2ncccn2)cc1 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COc1ccccc1CCC(=O)NCc1nnc2n1CCCC2 41141149 IBNJYSKFPQZMRN-UHFFFAOYSA-N 314.389 1.872 0 40 DDAB Cc1c(Cl)cccc1C(=O)NS(=O)(=O)Cc1ccon1 193839021 MUIAATFWXDCRPW-UHFFFAOYSA-N 314.750 1.896 0 40 DDAB O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccccn1 75172211 AIUYQNKIEMMQCY-UHFFFAOYSA-N 308.345 1.504 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccco2)cc1 75156318 RXHNFHCWRBXFHF-OAHLLOKOSA-N 323.370 1.668 0 40 DDAB NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058313 XCXIPDKISYMILT-BBFKJOKFSA-N 306.406 1.040 0 40 DDAB O=C(NCc1noc(-c2cccc(F)c2)n1)N1CCOCC1 332288534 KTFGPVWQFHNBAH-UHFFFAOYSA-N 306.297 1.418 0 40 DDAB Cn1nc(COc2cccnc2)c2c1CCN(c1ncccn1)C2 96259813 UWZLOAGIKYAQOF-UHFFFAOYSA-N 322.372 1.747 0 40 DDAB O=C1NCC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96080082 LYASYOCNCAKOQO-UHFFFAOYSA-N 320.414 1.256 0 40 DDAB CCc1ccnc(CNC(=O)N2CC(NC(=O)C3CC3)C2)c1 333457173 OVESOEPCHBHDBG-UHFFFAOYSA-N 302.378 1.064 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(c2ncccn2)CC3)cn1 96083957 MGCUVSOXKVQSRK-UHFFFAOYSA-N 307.361 1.272 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@H]12)C1CC1 96083122 CZJDQNFDLHJJOI-CWRNSKLLSA-N 304.390 1.643 0 40 DDAB CC(C)NC(=O)C[C@H]1COC2(CCN(c3ncccn3)CC2)C1 96221955 SORSWZPVFVXECK-CQSZACIVSA-N 318.421 1.767 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](CSC)C2)c1C 96428191 XBLDIPRNMOYQMI-GFCCVEGCSA-N 317.480 1.893 0 40 DDAB Cn1cc(N2C[C@@]3(CCN(Cc4ccccn4)C3)CC2=O)cn1 96239289 GEEVHOYZUMPIJU-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@@H](Cn3ccnc3)CC[C@H]21 96250245 MHCKZNFMOWLRLB-BZUAXINKSA-N 312.373 1.598 0 40 DDAB c1cnc(N2CCC[C@@]3(C2)CN(c2nccs2)CCO3)nc1 96074815 PCVFYZURTWMXGM-OAHLLOKOSA-N 317.418 1.809 0 40 DDAB CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Oc1ccccc1Cl 96451806 OHBMLSAHTPXRNE-JQWIXIFHSA-N 310.781 1.892 0 40 DDAB CCc1cc(N2CCO[C@@H](c3nccs3)C2)n2ncnc2n1 97203875 YQXAZNZSVSGVMM-LLVKDONJSA-N 316.390 1.721 0 40 DDAB CC(C)c1ncc(C(=O)N2CCC[C@@H](c3nnn[nH]3)C2)s1 96485687 IJTJOMHHUXFHHJ-SECBINFHSA-N 306.395 1.799 0 40 DDAB C[C@@H]1CSCCN(C[C@@H](O)CN2CCSC[C@H](C)C2)C1 248759378 XMWWNFXRYIHHKE-FICVDOATSA-N 318.552 1.717 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1ccc2[nH]cnc2c1 257219758 DIAAFGJMELKLGI-CQSZACIVSA-N 311.345 1.808 0 40 DDAB CN1C(=O)CO[C@H]2CN(Cc3cc4ccccc4s3)C[C@@H]21 257343510 ZTHQSTGKOFDDTD-KBPBESRZSA-N 302.399 1.943 0 40 DDAB CCOCC(=O)Nc1cccc2c1OCCN2C(=O)COCC 252493385 NAYVMEJKLFPJJO-UHFFFAOYSA-N 322.361 1.424 0 40 DDAB Cc1nn(C)c2nc([C@@]3(C)CCCN(CC(N)=O)C3)ccc12 257333452 YBPRMOVPLJDWFY-INIZCTEOSA-N 301.394 1.116 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(C)nc1 257319465 VSRDUQXWXMKNON-QGZVFWFLSA-N 311.389 1.417 0 40 DDAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)C3(F)CCC3)C2)OC1 575403106 CXDCYJJFZPFGHK-ZDUSSCGKSA-N 324.396 1.509 0 40 DDAB O=C(NCc1nccnc1-c1cccnc1)NC[C@@H]1CCCO1 575620417 SKJLPSZPFHIHIK-ZDUSSCGKSA-N 313.361 1.517 0 40 DDAB O=C(N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1)C1(F)CC1 575405853 UNNZQNOOTXSHEE-NSHDSACASA-N 324.327 1.862 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccco2)Cc2cccn2C1 585099217 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O=C(c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 12176247 PYUCSZAPNWGRSV-LSDHHAIUSA-N 323.414 1.495 0 40 DDAB COCCCNC(=S)N1CCN(c2ccccc2O)CC1 16237315 YXYXGPGXKIPLPA-UHFFFAOYSA-N 309.435 1.425 0 40 DDAB CCOc1ccccc1NC(=O)Cc1c(C)nc(C)[nH]c1=O 19937444 FDRGDLIJYZEIFD-UHFFFAOYSA-N 301.346 1.967 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 607854276 LLIGXCABAJBURL-INIZCTEOSA-N 305.353 1.446 0 40 DDAB COc1ccc([C@@H](NC(=O)[C@H]2CC23CCOCC3)C(=O)O)cc1 553756726 AOBRHJNXPOWQDP-ZIAGYGMSSA-N 319.357 1.754 0 40 DDAB COc1ccc(C)cc1CN1CCC[C@@H]1c1nc(=N)n(C)[nH]1 574721259 FQAUQBCCTYVYPT-CYBMUJFWSA-N 301.394 1.882 0 40 DDAB O=C(CCNC(=O)c1ccsc1)N=c1[nH]c2ccccc2[nH]1 17304144 ZMZDIKAMIVYZHB-UHFFFAOYSA-N 314.370 1.805 0 40 DDAB Cc1nnc(N2CC(NC(=O)c3cc(C4CC4)on3)C2)s1 1888844019 PPWUXCFTIUOJSP-UHFFFAOYSA-N 305.363 1.331 0 40 DDAB NC(=O)[C@]1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1 1888850068 DGNVAJVRKYTNGG-HNNXBMFYSA-N 304.300 1.686 0 40 DDAB COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 35161551 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130728725 LJOWVGAHCHZDSF-UHFFFAOYSA-N 317.389 1.560 0 40 DDAB CC(C)C[C@H](C)CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 225570520 WTKJHVSECFMPQZ-QWRGUYRKSA-N 304.412 1.024 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1ccc2c(c1)CCCC2 44972598 ABQCZJWALLZNSU-UHFFFAOYSA-N 318.398 1.991 0 40 DDAB COc1cccc2c1CC[C@]2(N)C(=O)N(C)CC1CCOCC1 1579288080 IURSPMAYHDANIU-GOSISDBHSA-N 318.417 1.680 0 40 DDAB NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)c(Cl)c2)C1 45958275 NUBNYHSTZQSKPU-JTQLQIEISA-N 307.781 1.778 0 40 DDAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)Cc1ccccc1 224976670 RUHZFACSJMCEHO-UHFFFAOYSA-N 319.386 1.482 0 40 DDAB O=C(Cc1ccccn1)N1CC[C@@]2(CCN2c2ncccn2)C1 96076124 GZVQHYCVZMGFMM-QGZVFWFLSA-N 309.373 1.296 0 40 DDAB Cc1cc(S(=O)(=O)N2CCN(C)c3ccncc32)c(C)o1 95463657 VQOVIWHCBGIJRJ-UHFFFAOYSA-N 307.375 1.937 0 40 DDAB CCCCn1nnnc1CNC(=O)[C@@H]1CSc2ccccc21 95398505 DENPKKJUPRFFSK-GFCCVEGCSA-N 317.418 1.979 0 40 DDAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccn3)CC[C@@H]12)N1CCCC1 96208201 MTMBXCRDNOGJLT-KFWWJZLASA-N 316.405 1.330 0 40 DDAB CC(=O)N1CC[C@]2(CCC[C@@H](CNC(=O)c3cccn3C)O2)C1 96206715 FBPCAULICPKIKH-WMLDXEAASA-N 319.405 1.315 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCCC1 96038594 VOEICDFDARUGTA-MGPQQGTHSA-N 321.446 1.460 0 40 DDAB CCc1c(Cl)nc(C)nc1NCCCN1C(=O)CCC1=O 96429432 HTXSVFPJFZADKM-UHFFFAOYSA-N 310.785 1.952 0 40 DDAB Cn1cc(CN2CCc3cnn(C)c3[C@H]2COCC2CC2)cn1 96197766 CMHKHRBJFJVTDM-MRXNPFEDSA-N 315.421 1.680 0 40 DDAB C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 96427692 QCPCBADRPKEHAL-RYUDHWBXSA-N 301.456 1.035 0 40 DDAB Cc1ccc(N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)nn1 96040598 BOIAQKVOVHKIHR-UXLLHSPISA-N 302.422 1.865 0 40 DDAB O=C(c1cc[nH]n1)N1CCCn2cnc(COCC3CC3)c2C1 96259975 MGANQAWSSHPGBM-UHFFFAOYSA-N 315.377 1.579 0 40 DDAB C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccncc1 96435344 ULIAAJMJWZFAPT-GFCCVEGCSA-N 302.382 1.722 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1cncc(-c2cncs2)n1 257333106 YAEHWBIZPYURNF-LLVKDONJSA-N 310.404 1.697 0 40 DDAB Cc1cc(N)cc([C@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257271704 MZKYKQLXIRFNAV-MRXNPFEDSA-N 301.394 1.588 0 40 DDAB CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1CN 252514991 FRHZTYZFDHVSDF-HBNTYKKESA-N 304.209 1.534 0 40 DDAB O=C(c1cnn2cccnc12)N1CCO[C@H](c2ccncc2)C1 257308926 TYTQYWOTEQCXJN-AWEZNQCLSA-N 309.329 1.338 0 40 DDAB CC(=O)NCc1cnc([C@H]2CN(c3cccc(C)n3)CCO2)[nH]1 257283148 OWXDZYGIDKHOHY-CQSZACIVSA-N 315.377 1.327 0 40 DDAB CCCc1cc(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)no1 257270407 MUCDVLBXKJUNQL-AWEZNQCLSA-N 316.361 1.818 0 40 DDAB CCN[C@@H]1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1 257243212 IFXDSHFEJUEFTJ-OAHLLOKOSA-N 303.406 1.845 0 40 DDAB O=C(NCC(=O)N1CC(OCC(F)(F)F)C1)c1ccccc1 390830611 METCPVOBUYSADU-UHFFFAOYSA-N 316.279 1.206 0 40 DDAB O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)C1CC1 575405457 IFEWUXBOCFZOEP-GFCCVEGCSA-N 306.406 1.320 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(Cc3cncnc3)CCO2)cc1 585277946 ZDTSQESVRBVFSL-GOSISDBHSA-N 313.401 1.591 0 40 DDAB O=C(NCC(F)(F)F)N[C@@H]1CCCc2c1cnn2CCO 46907156 LUBDVHKLIREYBA-SECBINFHSA-N 306.288 1.114 0 40 DDAB CCN(CCO)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 97177568 FHHSMDAEPOSCGG-UHFFFAOYSA-N 300.399 1.474 0 40 DDAB CS(=O)(=O)CCN(C[C@@H](O)c1ccc(F)cc1)C1CC1 96424439 AYEDHZZFDMVMOR-CQSZACIVSA-N 301.383 1.368 0 40 DDAB CCCC[C@@H](CC)C(=O)OCCOCCOCCOCCO 5821732 KMFYCMCMPSNIJX-OAHLLOKOSA-N 320.426 1.788 0 40 DDAB COC(=O)N1C=C[C@@H]2ON=C(S(=O)(=O)c3ccccc3)[C@H]2C1 5760485 LMVFITDZDJFDCX-RYUDHWBXSA-N 322.342 1.385 0 40 DDAB COCCCNC(=O)CSc1nnc(-c2ccco2)n1C 5862800 JUXZBCUZAAJQGE-UHFFFAOYSA-N 310.379 1.320 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)N(C)C)c(=O)c1n2C(C)C 12131859 AETZJBNLSHXLRX-UHFFFAOYSA-N 316.361 1.922 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCC(O)(c2cccnc2)CC1 12222012 DXXJVHLLUCSGMM-OAHLLOKOSA-N 317.433 1.766 0 40 DDAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCC(C)CC1 12602496 MIFAVTHFDJIBIL-YESZJQIVSA-N 323.481 1.191 0 40 DDAB biogenic,in-vitro NC(=O)c1ccc[n+](CCOc2ccc(Br)cc2)c1 13135256 VMUSIIDXUJSHAJ-UHFFFAOYSA-O 322.182 1.915 0 40 DDAB COc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 19936385 BOIROEUIEZZOQD-UHFFFAOYSA-N 320.326 1.931 0 40 DDAB CCOCC(=O)NC[C@H](c1ccc(C)cc1)N1CCN(C)CC1 22582600 GZEKRKUFTLOSEN-QGZVFWFLSA-N 319.449 1.436 0 40 DDAB Fc1cnc(N2CCN(c3ncnc4ncccc34)CC2)nc1 1888869919 FIPXTSYUSCGEQS-UHFFFAOYSA-N 311.324 1.281 0 40 DDAB Cc1ccccc1CN1CCO[C@H](C(=O)N2CCOCC2)C1 1889122671 GPXUHBMRVSPTOW-INIZCTEOSA-N 304.390 1.055 0 40 DDAB OC1(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)CCC1 2087120162 KQUUNPMAAGHQKG-UHFFFAOYSA-N 316.327 1.532 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1OC)C2 1565553829 KVUBDIPYODFPPR-WBVHZDCISA-N 320.389 1.748 0 40 DDAB COCCN1C[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]2C1=O 1565553858 FHQHXRXSHSHBFT-JKIFEVAISA-N 306.406 1.296 0 40 DDAB O=C(c1cc2ccccc2o1)N1CC(N2C(=O)CSC2=O)C1 206954812 SZEHMCXJUYFWFK-UHFFFAOYSA-N 316.338 1.953 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@@](C)(O)CCc2ccccc2)cn1 206708574 AKRRCPGRRGBTKD-HNNXBMFYSA-N 323.418 1.082 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)c1 4139259 GVGKDIGTINVUOQ-OAHLLOKOSA-N 313.357 1.962 0 40 DDAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(=O)n(C)n1 96423988 VDSAYMZHOYRRGA-GFCCVEGCSA-N 312.373 1.656 0 40 DDAB Cc1csc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 30674507 SDEFDYJNBOAJLP-UHFFFAOYSA-N 316.342 1.093 0 40 DDAB C[C@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)C[C@@H](C)O1 40486027 NUGZYKULGNKKKX-BETUJISGSA-N 317.389 1.366 0 40 DDAB CCOC(=O)C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 40554235 QFXHUTLEZJQJEQ-UHFFFAOYSA-N 311.769 1.613 0 40 DDAB O=C(NC[C@@H]1CCOC1)c1cn(-c2ccc(Cl)cc2)nn1 40514260 RFUFYUPYJYKHGB-JTQLQIEISA-N 306.753 1.687 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCSCC2)C1=O 40542202 DSCGPVRGADZVFW-NSHDSACASA-N 306.387 1.376 0 40 DDAB COC(=O)c1ccccc1-n1ncc(NCCO)c(Cl)c1=O 29223734 KFJUVAWMCHMJTI-UHFFFAOYSA-N 323.736 1.077 0 40 DDAB C[C@H](N[C@H]1CCc2ncnn2C1)c1nnc(-c2ccccc2)o1 69654136 KACPGBBVDVZYQZ-AAEUAGOBSA-N 310.361 1.994 0 40 DDAB CCCn1nnnc1CSc1nnnn1-c1ccc(O)cc1 7946079 GGQLUNAXSOYRCY-UHFFFAOYSA-N 318.366 1.057 0 40 DDAB Nc1ncn(Cc2ccccc2)c2nc(SCCO)nc1-2 2502928 ANMQXNSSIWREOG-UHFFFAOYSA-N 301.375 1.493 0 40 DDAB CCOC(CNC(=O)c1nnc(-c2ccccc2)o1)OCC 4929088 GJBFQHAKCYKLNR-UHFFFAOYSA-N 305.334 1.866 0 40 DDAB CC[C@H](CCNC(=O)COc1ccccc1)N1CCCC1=O 60367840 RNUPRVQERGAXIC-CQSZACIVSA-N 304.390 1.973 0 40 DDAB O=C(COc1ccccc1)OCc1cc(=O)n2ccsc2n1 6459816 HCXDMZUVHMGHHS-UHFFFAOYSA-N 316.338 1.878 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 32771693 JLZFGINQCMUTBT-MRVPVSSYSA-N 322.340 1.430 0 40 DDAB Cc1ccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)cc1 8040869 GNQSOOIEJDDZFT-UHFFFAOYSA-N 310.419 1.820 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)CNC(=O)COc1ccccc1 53434331 BAHAKIJJVKZAAJ-OAHLLOKOSA-N 320.389 1.209 0 40 DDAB Cc1nsc(N2CCCN(Cc3noc(C4CC4)n3)CC2)n1 76062994 RMZSHLWMBOWACP-UHFFFAOYSA-N 320.422 1.819 0 40 DDAB CCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 104053009 NCRUHMQGKNBOAW-IUCAKERBSA-N 322.390 1.214 0 40 DDAB NS(=O)(=O)c1cccc(CNc2cnc3ccccc3n2)c1 54058186 GFWNHSPCBPIVCW-UHFFFAOYSA-N 314.370 1.889 0 40 DDAB C[C@@H](NC(=O)NCCc1cn2ccccc2n1)[C@H]1CCCO1 42325225 UOXKDBRRBHTFJY-TZMCWYRMSA-N 302.378 1.744 0 40 DDAB CC[C@H](C)NC(=O)CCc1c(C)nc2c(C(N)=O)ncn2c1C 54188743 YSVAKRGGSVJRBV-VIFPVBQESA-N 317.393 1.292 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cscn3)CC2)c1 104521492 YCMKLDNZWVKWLR-UHFFFAOYSA-N 304.375 1.509 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cccc(C[S@@](C)=O)c1 55430922 CMKZPLNZWADCRA-NRFANRHFSA-N 305.403 1.571 0 40 DDAB Cc1noc(C2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)n1 56131778 BWSQCKVLCVNBRG-UHFFFAOYSA-N 315.377 1.859 0 40 DDAB CCOC(=O)C1CCN(C(=O)COc2ccc(OC)cc2)CC1 3236420 GZLFYGAJLGIJHK-UHFFFAOYSA-N 321.373 1.876 0 40 DDAB NC[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12 44556260 SZWUJQREWWHWKV-ZDUSSCGKSA-N 305.403 1.737 0 40 DDAB O=C(Nc1ccc(N2CCOCC2)nc1)N1CCSCC1 48070055 DSYRNIJJIABNOU-UHFFFAOYSA-N 308.407 1.499 0 40 DDAB O=C(CN1CCCC1=O)NCc1ccc(OC(F)(F)F)cc1 44893060 HUVUMYJMSVZGLS-UHFFFAOYSA-N 316.279 1.824 0 40 DDAB O=C(NCCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 58248352 LQMHTQLKOXDDOK-AWEZNQCLSA-N 323.462 1.797 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 44934865 XDJBAMFGXVQASH-LBPRGKRZSA-N 322.372 1.778 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N(C[C@H]1CCOC1)C1CC1 44941333 YLDSJFPOSRPODI-CYBMUJFWSA-N 312.373 1.908 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)c1cccs1 58393334 AUHWLOCTMOPKGK-UHFFFAOYSA-N 321.450 1.376 0 40 DDAB Cc1ccc(CC(=O)NCCC(=O)NCc2ccncc2)cc1 58355560 ALUUKUPCWHQTNB-UHFFFAOYSA-N 311.385 1.755 0 40 DDAB C[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)S(C)(=O)=O 58377787 ASUOANSBBBHIJF-SNVBAGLBSA-N 321.358 1.641 0 40 DDAB CC(C)C[C@H]1NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 3487424 GZRXZWINOPVBQS-SNVBAGLBSA-N 320.374 1.223 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N([C@@H](C)COC)C1 8235089 SMWSMTRZGDVQDM-STQMWFEESA-N 320.389 1.907 0 40 DDAB C[C@@H]([C@@H](C)NCC(=O)NCCc1ccsc1)n1cccn1 69741346 WVTNJTUXBWMZHF-OLZOCXBDSA-N 306.435 1.843 0 40 DDAB C[C@@H]1C[C@H](NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CN1C 110704640 XZZBGJNNIZOVPK-LAVFITLUSA-N 303.450 1.304 0 40 DDAB COc1ccc(NC(=O)NCC2CCC2)cc1-n1nnnc1C 69702401 ZIMVLQPMYDUXQT-UHFFFAOYSA-N 316.365 1.901 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCCN(Cc2cscn2)CC1 69778983 UYQMGAMXHZMXKO-AWEZNQCLSA-N 309.435 1.747 0 40 DDAB CC(C)[C@@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 17056844 DLJOXNSUCAANHK-LLVKDONJSA-N 323.418 1.276 0 40 DDAB c1ccc(Cn2cc(CN[C@H]3CCc4ncnn4C3)cn2)cc1 69491627 STCGQHPNKGBRSM-INIZCTEOSA-N 308.389 1.628 0 40 DDAB Cc1nnc2n1CCN(Cc1nccn1Cc1ccccc1)C2 69464668 FSQXXTRUPSFHAB-UHFFFAOYSA-N 308.389 1.847 0 40 DDAB COc1ccnc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)n1 65550484 PSMVLIRLHWYWTF-JTQLQIEISA-N 304.354 1.060 0 40 DDAB CC(C)(C)[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccccc1 65551739 KUVYIMDBFLIDJZ-INIZCTEOSA-N 303.406 1.322 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1cc2ccccc2c(OC)n1 65548106 WJEIVZMYZCQWKF-UHFFFAOYSA-N 302.330 1.925 0 40 DDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)CCN1CCOCC1 69876848 VQFVZMMBUBOJFH-AWEZNQCLSA-N 323.412 1.094 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 5878436 HILYQBGGLPPTQC-UHFFFAOYSA-N 318.373 1.583 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 7141412 JPKLQTGKJMKXGZ-INIZCTEOSA-N 317.345 1.548 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnc(N)[nH]1 15690629 AWXFHRMZFRIKOA-MRVPVSSYSA-N 307.379 1.823 0 40 DDAB C[C@@](O)(Cc1ccccc1)C(=O)NCCCCN1CCOCC1 78903110 NUAFTGCEJKCELV-GOSISDBHSA-N 320.433 1.209 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 72267947 QARSHDHZHWJSAH-BFHYXJOUSA-N 323.441 1.101 0 40 DDAB O=C(Nc1nnn[nH]1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 72294765 DNUUAIPQDGYDIM-YUMQZZPRSA-N 313.239 1.841 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)NC[C@@H]1CCOC1)C2 72254806 NIJLKSHESZUSDS-AAEUAGOBSA-N 306.362 1.334 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 72294946 MOKORJBOJOLPNE-INIZCTEOSA-N 312.417 1.998 0 40 DDAB CC(C)c1ocnc1C(=O)NCC1CCN(CCN(C)C)CC1 71907646 SSXGAOKQGZVHHN-UHFFFAOYSA-N 322.453 1.801 0 40 DDAB Cn1cccc1[C@H]1COCCN1C(=O)Cc1cn2ccccc2n1 97143968 OENQFCRIHGEDSH-MRXNPFEDSA-N 324.384 1.815 0 40 DDAB COC[C@@H](C)NC(=O)CN1CCC[C@@H]1c1noc(C2CC2)n1 72300060 FOIQRXKZTMUDEA-ZYHUDNBSSA-N 308.382 1.235 0 40 DDAB CCNC(=O)NCCCOC(=O)[C@@H](C)n1cnc2ccccc21 95461516 BHDHQNRAYUONDD-GFCCVEGCSA-N 318.377 1.850 0 40 DDAB COc1cc(C(=O)N[C@@H](C)[C@H](CO)SC)cc(OC)c1C 95426687 KJMAEVBGOSVVHP-HZMBPMFUSA-N 313.419 1.854 0 40 DDAB C[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(OCC2CC2)c(F)c1 95413215 XFTFMNSQPLBFCV-MRVPVSSYSA-N 320.324 1.517 0 40 DDAB NC(=O)c1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 23045919 UOXYRWZLFKBVLK-UHFFFAOYSA-N 318.373 1.781 0 40 DDAB COc1cncc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 89484151 YFYRXMPMSUYUSN-UHFFFAOYSA-N 318.406 1.541 0 40 DDAB Cc1cc(NC(=O)N[C@H](C(=O)N2CCCC2)C(C)C)n(C)n1 89593916 JCLIHKZXSCLZPT-ZDUSSCGKSA-N 307.398 1.497 0 40 DDAB CCC[C@](C)(CO)NC(=O)NCc1ccnc(-n2ccnc2)c1 86372974 SHROFKBIZLAJPS-MRXNPFEDSA-N 317.393 1.618 0 40 DDAB O=C(Nc1ccc(F)cn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 60380993 ARJFVTKGXQVWDM-ZETCQYMHSA-N 305.231 1.570 0 40 DDAB Cc1csc2ncnc(N[C@@H]3CCCN(CCO)C3=O)c12 518931719 TXXUWSOKKNJDOD-SNVBAGLBSA-N 306.391 1.395 0 40 DDAB O=C(O)[C@@H]1C=C[C@H](NS(=O)(=O)c2cnc3ccsc3c2)C1 548260563 HWJIWFPDOQRVPH-BDAKNGLRSA-N 324.383 1.604 0 40 DDAB COc1ccccc1CNC(=O)c1cccnc1-n1cncn1 39551969 ZNVGXRMAABDXIS-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB O[C@]1(Cn2ccnn2)CCCN(Cc2nc3ccccc3o2)C1 521475297 IMFYVZTZEZVNDJ-MRXNPFEDSA-N 313.361 1.446 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 72238122 ZBTHMYZFGJXUPP-BXUZGUMPSA-N 308.403 1.516 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1CCc1cccnc1-n1ccnc1 72364821 JWLJHFNLKXTWIV-CQSZACIVSA-N 320.418 1.624 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@H]2Cc3ccccc3O2)cs1 31117262 CDCILWBDYIEGKI-LLVKDONJSA-N 317.370 1.835 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)C(=O)O)cc1 218581651 RAQRABVSSMLRLU-NFAWXSAZSA-N 311.403 1.179 0 40 DDAB COCCC(=O)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 72389880 HABGQCQYNWPXOX-LLVKDONJSA-N 302.334 1.484 0 40 DDAB COc1ccc(S[C@H](C)C(=O)NCCN(C)C)cc1OC 44849316 GJWCBTURYDWTQJ-LLVKDONJSA-N 312.435 1.862 0 40 DDAB Cc1nn(C)c2cn([C@H](C)C(=O)N[C@@H](C)c3ccncc3)nc12 41123804 CEDHMMIHCZFFOY-CMPLNLGQSA-N 312.377 1.912 0 40 DDAB CN1CCN(C)[C@@H](CNC(=O)NCCCC2CCCCC2)C1 195530156 KLPSLYODPPGVGR-INIZCTEOSA-N 310.486 1.892 0 40 DDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1SCCc2sccc21 195531665 QVORIBJYKOSYFJ-HLUHBDAQSA-N 310.444 1.849 0 40 DDAB CCOC(C)(C)CNC(=O)NCCN1CCN(C)C(C)(C)C1 225654432 SPNVMHLHOPVUKA-UHFFFAOYSA-N 314.474 1.127 0 40 DDAB COc1cccc2cc(C(=O)N[C@H]3C[C@@H](O)[C@@H](CO)C3)oc12 85468402 ZVZQIRCADHHDJO-IJLUTSLNSA-N 305.330 1.303 0 40 DDAB CCC(=O)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)C1 570565377 ILSFZKMICBWMFB-UHFFFAOYSA-N 312.373 1.583 0 40 DDAB Cc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)O 49543458 BWXHLQHGSLZQTO-CQSZACIVSA-N 315.281 1.207 0 40 DDAB biogenic COc1cc(C)c(CNC[C@H]2CN3CCC[C@@H]3CO2)cc1OC 83455422 SYBVRPFPGGRYMH-CVEARBPZSA-N 320.433 1.965 0 40 DDAB CSCc1cc(F)ccc1CNC(=O)[C@H]1CC(=O)N(C)C1 87434971 NJXWBBPOSDCTER-NSHDSACASA-N 310.394 1.783 0 40 DDAB CCc1noc([C@H]2CCCN(C(=O)c3ccnn3CC)C2)n1 41122295 UYHUFWZYDUAELS-NSHDSACASA-N 303.366 1.868 0 40 DDAB CC(=O)N1CCC(C(=O)OCCN(C)c2ccccc2)CC1 80395852 DXTYCWRNDQAVMD-UHFFFAOYSA-N 304.390 1.925 0 40 DDAB Cc1nnc([C@]23COC[C@H]2CN(C(=O)Cc2ccsc2)C3)o1 96110108 HONPXUVCABCOPS-IUODEOHRSA-N 319.386 1.409 0 40 DDAB COc1ccccc1[C@H](CNC(=O)c1cn(C)nc1OC)OC 96384475 HUYMBCVCMWNZIO-AWEZNQCLSA-N 319.361 1.555 0 40 DDAB Cc1cc(=NC(=O)[C@@H]2CCn3c(cnc3C)C2)[nH]n1C(C)C 333769576 RBELAJILBHKEMX-CYBMUJFWSA-N 301.394 1.900 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2COC[C@]2(CN2CCCCC2)C1 96206589 BDNKEXKVBKVKKX-QAPCUYQASA-N 315.417 1.656 0 40 DDAB CS(=O)(=O)NC[C@@H]1CC12CCN(Cc1nccs1)CC2 96238304 AKYCCPCJGSDYIV-NSHDSACASA-N 315.464 1.294 0 40 DDAB C[C@H](CCc1cccc(F)c1)NC(=O)NCc1ncnn1C 96440343 CAUFKHXWVVIHFC-LLVKDONJSA-N 305.357 1.775 0 40 DDAB Cc1ncsc1CNC(=O)NCC[S@](=O)C(C)(C)C 96408881 AWHMQWMLRQRKAQ-LJQANCHMSA-N 303.453 1.798 0 40 DDAB COC[C@H]1CN(C(=O)C2CCSCC2)Cc2cncn2C1 96206503 ATPPBNLUIQRHET-LBPRGKRZSA-N 309.435 1.631 0 40 DDAB COC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)C(C)(C)C 95413980 YQLRZIRYVHXGKZ-IUCAKERBSA-N 310.316 1.327 0 40 DDAB O=C1NCCO[C@H]2CN(Cc3ccc(Cl)c(F)c3)CC[C@@H]12 96107066 KRUMHEZRLPAKSX-RISCZKNCSA-N 312.772 1.816 0 40 DDAB O=C(NCC[C@H]1CCCO1)N1CCCN(c2ccccn2)CC1 96502992 NRVQMQVBOGWZAC-OAHLLOKOSA-N 318.421 1.872 0 40 DDAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cnnn1 96412213 NUOWEMAFKSVRST-TVQRCGJNSA-N 309.757 1.219 0 40 DDAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)c4ccoc4)C[C@H]3O2)n1 96070641 SDAAUHGKYTXJBL-CYZMBNFOSA-N 302.334 1.698 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2 247971266 UVTSIPSULCGULX-GFCCVEGCSA-N 315.366 1.394 0 40 DDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@H]2N)cc1 242648556 QZTGSBKLXUUZFV-OAGGEKHMSA-N 303.383 1.962 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1C(N)=S 242718228 XGPBHCZJTVKDJQ-UTUOFQBUSA-N 313.400 1.218 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)CN2CCCC2)cc1 257201609 AIHUJJXAEAXMJY-MRXNPFEDSA-N 303.406 1.264 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3cncnc3C)CCO2)nc(C)n1 257222856 DUXKFWIJVFMIAV-HNNXBMFYSA-N 313.361 1.406 0 40 DDAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(C)CC1 253399728 JVTHBONWJOIXSF-JTQLQIEISA-N 321.402 1.844 0 40 DDAB biogenic,in-vitro O=C1CN(Cc2ccc(-c3ccccc3C(=O)O)nc2)CCN1 257327729 XCLLABLETKLJKH-UHFFFAOYSA-N 311.341 1.379 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1ccnc(N2CCOC2=O)c1 257304760 SNBDHFHZLLUXFM-LLVKDONJSA-N 311.363 1.135 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 62132436 IVTQEZKBRZUZLI-ZETCQYMHSA-N 307.730 1.574 0 40 DDAB O=C(CSc1ccncc1)Nc1cc(-n2cccn2)ncn1 90614192 ZRVDEJRODVSMNA-UHFFFAOYSA-N 312.358 1.788 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2cc3n(n2)CCCO3)CC1 90626729 JBQHLSPKIJEEDK-UHFFFAOYSA-N 322.365 1.016 0 40 DDAB CN(CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)CC(C)(C)C 585139587 BFGFBCWHNMEUJW-HNNXBMFYSA-N 323.481 1.729 0 40 DDAB CC1CCN(c2ccc(CNC(=O)[C@H]3CCC(=O)N3)cn2)CC1 48278044 FUXAAEVSCPADCN-CQSZACIVSA-N 316.405 1.213 0 40 DDAB CC[C@](C)(NC(=O)CSc1nc(C)cc(C)n1)C(=O)OC 69348293 NPRRWCFCYXUZNL-AWEZNQCLSA-N 311.407 1.643 0 40 DDAB COCCOc1ncccc1C(=O)NC[C@@H]1CCN(C2CC2)C1 69570934 ZLAQXXXQCZMAEP-ZDUSSCGKSA-N 319.405 1.321 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)Cn1cnc2ccccc2c1=O 65565291 SODOYRPGBBLKQO-GFCCVEGCSA-N 311.341 1.737 0 40 DDAB CN1CCC[C@@H](CNC(=O)Nc2ccc(-n3cnnn3)cc2)C1 95953694 ZACNTTGIJXEJKQ-LBPRGKRZSA-N 315.381 1.126 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(Cc3cn(C)cn3)CC2)C1 1615152573 BYTNEILFNIHOJH-CQSZACIVSA-N 306.410 1.070 0 40 DDAB CCCNC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 12185682 VOZVIVKPYBURPW-UHFFFAOYSA-N 317.389 1.127 0 40 DDAB O=C(Cn1cccnc1=O)Nc1cccc(-c2csnn2)c1 12202065 RCCMQCCGYMBIGA-UHFFFAOYSA-N 313.342 1.401 0 40 DDAB CC(C)Nc1nc(CCn2ncc3c2CCCC3)cc(=O)[nH]1 19450244 NJQQYBRQZMVAAD-UHFFFAOYSA-N 301.394 1.908 0 40 DDAB COc1cccc(OC)c1CN1C[C@H]2CCCN2C[C@H]1CCO 19566989 AUGVTKHFMSHJRZ-HUUCEWRRSA-N 320.433 1.735 0 40 DDAB CN(C)C(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19580928 KAXUCEMKUSEHAP-UHFFFAOYSA-N 302.374 1.826 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCO[C@@H](C2CC2)C1 153964299 GBMMBHCVTZUBEQ-YESZJQIVSA-N 318.417 1.847 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2C)cc1 2634395 BVIKRFHIMXWVJK-MRVPVSSYSA-N 320.378 1.288 0 40 DDAB COC(=O)C1=CN(Cc2ccc(C)cc2)S(=O)(=O)N=C1C 1888990269 BQAWIQSWULZJIB-UHFFFAOYSA-N 308.359 1.573 0 40 DDAB c1ccc2sc(N3CCN(CCn4nccn4)CC3)nc2c1 1848741352 NYJHNFRDXGEEGB-UHFFFAOYSA-N 314.418 1.710 0 40 DDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccoc1 245174471 YOCBIIHHNZMOMZ-UHFFFAOYSA-N 312.333 1.248 0 40 DDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100072406 KONWAFWYYOOUOD-AJNGGQMLSA-N 313.309 1.341 0 40 DDAB CC(=O)c1cc(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)n[nH]1 1565548534 DNZKCLPMDWSPDS-HOTGVXAUSA-N 313.357 1.430 0 40 DDAB O=C(N[C@@H]1CCN(C2CCOCC2)C1)c1ccc2c(c1)OCO2 1565520509 WKKFQFJQFRHHIV-CYBMUJFWSA-N 318.373 1.398 0 40 DDAB CC1CCC(C(=O)N2C[C@H]3ON=C(C(=O)N(C)C)[C@H]3C2)CC1 1565551185 NGYBUZDUDJCFRT-IFWUJCSASA-N 307.394 1.114 0 40 DDAB CNC(=O)C[C@@H]1OC[C@H]2CN(Cc3c(C)noc3C)CC[C@@H]12 1565550552 CSUUPVRPTTVIOG-NFAWXSAZSA-N 307.394 1.264 0 40 DDAB Cc1cncnc1N1CCN(Cc2nc(C(C)C)no2)CC1 1775974271 VWQPRHOQWUSPTL-UHFFFAOYSA-N 302.382 1.614 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1cccs1 23106528 CRHAACMHJFWCBR-GFCCVEGCSA-N 309.435 1.526 0 40 DDAB Cc1ccc(=O)n(CC2CCN(CC3(O)CCCC3)CC2)n1 585501483 GMVVUKMYZGMIPA-UHFFFAOYSA-N 305.422 1.569 0 40 DDAB C[C@](O)(CNS(=O)(=O)c1cccnc1)Cc1ccsc1 618254881 GHCDWERAYSZZIC-CYBMUJFWSA-N 312.416 1.415 0 40 DDAB CC(C)(C)c1ccc(N2CCO[C@H](C(=O)NC3CC3)C2)nn1 2298171798 TTWGIOGQRRUXMW-LBPRGKRZSA-N 304.394 1.258 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)N[C@@H](C)COc1ccc(F)cc1 50154869 LTWZBICWHKAIHP-WDEREUQCSA-N 311.357 1.417 0 40 DDAB O=S(=O)(c1ccc(SCCO)nc1)N1CCCCC1 31747012 OQDPBCHQPWUYQI-UHFFFAOYSA-N 302.421 1.341 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 40511103 LZVQAEBHIXINBK-NSHDSACASA-N 316.336 1.553 0 40 DDAB NC(=O)N[C@H](CC(=O)Nc1ccncc1)c1ccccc1F 40514011 RZUDPJAMLXYOJX-CYBMUJFWSA-N 302.309 1.959 0 40 DDAB O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1F 149399 BZJAXBJYQYDDTI-UHFFFAOYSA-N 310.712 1.482 0 40 DDAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1cccc(O)c1 202827 WEDUZIRGFOOZAO-CYBMUJFWSA-N 304.302 1.557 0 40 DDAB O=S1(=O)CCC[C@@H]1CN[C@H](Cc1ccncc1)C(F)(F)F 90468268 IOHAXZNSFTVSMJ-VXGBXAGGSA-N 322.352 1.722 0 40 DDAB CCOC(=O)NS(=O)(=O)c1ccc(Br)cc1 1698893 NGOCYFAMAWQZDZ-UHFFFAOYSA-N 308.153 1.884 0 40 DDAB CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)O)C(=O)O 2391109 REOCNKZXONOGGX-OLZOCXBDSA-N 307.346 1.545 0 40 DDAB COc1ccnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 69698037 QVYSMYZIGGNUDW-CYBMUJFWSA-N 302.382 1.610 0 40 DDAB Cc1ccccc1-n1ncc(C(=O)N2CCNC(=O)C2)c1C1CC1 29760247 UJQNYPLEASFRIF-UHFFFAOYSA-N 324.384 1.630 0 40 DDAB CCN(C(=O)CN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 20949046 LKEYORNGTCZJLE-LBPRGKRZSA-N 307.369 1.376 0 40 DDAB CCC[C@H](c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1 4849817 JNUWOJJBXXLLKE-CQSZACIVSA-N 320.441 1.827 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC3CCCC3)c2N)cc1F 4984810 ZSFLTPJAQFDBLR-UHFFFAOYSA-N 303.341 1.969 0 40 DDAB CCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@](=O)C2 6528343 QQXQOHBKEBIHST-QFIPXVFZSA-N 319.386 1.992 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C)c1 6953160 RHCLVYQGDFZIOU-HNNXBMFYSA-N 303.406 1.842 0 40 DDAB Cc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C 2631285 IRUJMNFWNALISJ-UHFFFAOYSA-N 322.386 1.318 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 101445075 DHPRZEQLXRWFOD-IMIFBBOLSA-N 321.329 1.521 0 40 DDAB CC1(C)C(=O)N(CCC(=O)N2CCOCC2)c2ccccc21 57355651 FNYIGSGPWZBJLF-UHFFFAOYSA-N 302.374 1.560 0 40 DDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 29957539 WMYBHUKBZDJTEH-ZDUSSCGKSA-N 305.378 1.211 0 40 DDAB Cn1ncc(I)c1C(=O)NC1CCCC1 483388 ITCGUSSOFWYBOG-UHFFFAOYSA-N 319.146 1.697 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)N1C[C@H](C)O[C@@H](C)C1 32975460 ZVSVPSFTEXGFSA-STQMWFEESA-N 320.389 1.451 0 40 DDAB COC(=O)C(=NNc1cccc(Br)c1)C(=O)OC 105252217 ISTYFHAGHJENGY-UHFFFAOYSA-N 315.123 1.563 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O 83996172 RKFPAFVCILCWIZ-SWHYSGLUSA-N 320.389 1.674 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863793 QKKOVUMGRBEWGC-CQSZACIVSA-N 309.391 1.431 0 40 DDAB CCOc1ccc(OC[C@H](O)CNC[C@H]2CCCN2CC)cc1 22920914 JVXSYAHNRVHKSR-HZPDHXFCSA-N 322.449 1.899 0 40 DDAB CC(=O)N1CCC(NC(=O)CN(C)c2cc(C)ccc2C)CC1 54273506 TWHNRVDBBCTGAN-UHFFFAOYSA-N 317.433 1.867 0 40 DDAB CC1CCN(CCSc2nnc(Cn3cncn3)o2)CC1 89929973 QWKQVEQRBDZCQX-UHFFFAOYSA-N 308.411 1.533 0 40 DDAB COc1cc(CNC(=O)Cn2ncc(=O)c3ccccc32)ccn1 42621575 UVTRPTYQVPHXJM-UHFFFAOYSA-N 324.340 1.117 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1ccccc1 24359365 YPAGBBVEPBRSJD-CQSZACIVSA-N 310.419 1.159 0 40 DDAB C[C@@]1(NC(=O)CCOc2ccc(F)cc2)CCS(=O)(=O)C1 24861516 CNNRUWPNFKYQLZ-CQSZACIVSA-N 315.366 1.288 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1ccnc1 12507565 KNJGWUMLVGZXGE-UHFFFAOYSA-N 306.753 1.634 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)c1cnc2ccccn2c1=O 55416043 FWZFQSZTGLTDME-CQSZACIVSA-N 309.325 1.158 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1F 25308571 BLFSNTNTYMASRL-NSHDSACASA-N 316.336 1.859 0 40 DDAB Cc1nc2c(NCc3nc4ccccc4n3C)nc(N)nc2n1C 57279203 INHAUXZVAJWSMM-UHFFFAOYSA-N 322.376 1.753 0 40 DDAB CC(C)C[C@@H](CNc1ncnc2c1cnn2C)N1CCOCC1 26146294 ZORPHBGMVKQRIR-ZDUSSCGKSA-N 318.425 1.522 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)CN(CC(N)=O)CC(C)C 26126134 SOWHKNDNMGWRKO-CQSZACIVSA-N 305.422 1.616 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)C3CC=CC3)CC2)C1=O 108531187 ISDGLZVLHLGWPF-GOSISDBHSA-N 320.433 1.830 0 40 DDAB CCC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccoc2)CC1 27467844 ORZLNFYPZSUQQF-CYBMUJFWSA-N 307.394 1.342 0 40 DDAB C[C@H](C(=O)NC1CCSCC1)N1C(=O)c2ccccc2C1=O 58161074 KZPNEJAWNUDUTL-SNVBAGLBSA-N 318.398 1.683 0 40 DDAB CCc1ccc([C@H](C)NC(=O)CN2CCCC[C@@H]2C(N)=O)cc1 44871334 CGCDHPPKSVDQFO-XJKSGUPXSA-N 317.433 1.766 0 40 DDAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)CNC(=O)c1ccccc1 58217846 NMYZIZWZIZFGBQ-ZFWWWQNUSA-N 304.390 1.880 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O 58282814 HWVNKFSILMDMGZ-NSHDSACASA-N 324.402 1.277 0 40 DDAB Cc1nccn1-c1ccc(CNC[C@@H]2CNc3ccnn3C2)cn1 58291759 CCGVYWNHSPODNW-OAHLLOKOSA-N 323.404 1.604 0 40 DDAB O=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCCC1 3240016 PIGKOQSIFABCMM-UHFFFAOYSA-N 322.336 1.111 0 40 DDAB aggregator C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)[C@H]1CCCO1 44954156 BFIFYSSPBKJLPQ-GXTWGEPZSA-N 319.409 1.312 0 40 DDAB Cn1cnnc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 44947035 OFPLNZWZADLSBX-UHFFFAOYSA-N 305.281 1.808 0 40 DDAB Cc1cc(=O)n2nc(NCCCN3CCC(C)CC3)sc2n1 12812442 JFKZPLXKYSANBR-UHFFFAOYSA-N 321.450 1.993 0 40 DDAB CC(C)OCCCNC(=O)Cn1cnc2ccccc2c1=O 3476959 UDRHABYFEYXNIS-UHFFFAOYSA-N 303.362 1.328 0 40 DDAB COCc1ccccc1CNC(=O)N[C@@H](C)c1nncn1C 65399441 DNWLATYJPNHPKX-NSHDSACASA-N 303.366 1.522 0 40 DDAB O[C@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1 69873015 OORUYQJPTSYXEV-XJKSGUPXSA-N 304.369 1.863 0 40 DDAB COC(=O)CSc1nc2ccccc2c(=O)n1CCCO 6366410 HVPLMHBRXYAZCY-UHFFFAOYSA-N 308.359 1.044 0 40 DDAB CCCO[C@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 65459330 HUBYASYUJIXIBT-ZDUSSCGKSA-N 317.389 1.747 0 40 DDAB Cn1ncc2c(N3CCNC(=O)[C@H]3c3ccccc3)ncnc21 65412408 PWANMSONRQCDFG-CYBMUJFWSA-N 308.345 1.041 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 70038196 XMZGLNKRKVHYTF-KBPBESRZSA-N 322.434 1.104 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2cc(C)no2)c1 70039664 HVIJXQAPZFYEID-ZDUSSCGKSA-N 303.366 1.591 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)Cc1ccccc1C 69377205 CQBGIZJJQRVBAQ-UHFFFAOYSA-N 312.435 1.625 0 40 DDAB NC(=O)NC(=O)CN1CCC(Nc2ccccc2Cl)CC1 69443226 FEYNIOOXMLUGRJ-UHFFFAOYSA-N 310.785 1.411 0 40 DDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 69415326 BHRBEAQFZCTDQU-HNNXBMFYSA-N 319.453 1.032 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccccc1-n1cccn1)C2 69461836 HECJJKYTSQXTNK-UHFFFAOYSA-N 308.345 1.428 0 40 DDAB CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C 4943959 HOETXQZTNDPJJW-JTQLQIEISA-N 300.355 1.064 0 40 DDAB C[C@@H](C(N)=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 69595147 WNXPBQZTJJWLFW-ZDUSSCGKSA-N 311.389 1.139 0 40 DDAB COc1ccc([C@H]2C[C@@H]2C(=O)N(C)CC(=O)N2CCCC2)cc1 69571318 ZSXXXVVPZZUPRI-CVEARBPZSA-N 316.401 1.880 0 40 DDAB Cc1noc(C)c1CNC(=O)CN[C@](C)(CO)C1CCCCC1 77656449 JMMOUWZGMQJKCD-QGZVFWFLSA-N 323.437 1.829 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)Cn3cccn3)C2)c1 71185873 RUXCDTBKMIKVPJ-LSDHHAIUSA-N 301.394 1.888 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(=O)[nH]1 84130974 RRLGXECNBGDSDL-GFCCVEGCSA-N 314.345 1.921 0 40 DDAB Cc1nnc2n1C[C@H](NS(=O)(=O)CC1CCCCC1)CC2 96000637 IOPRYMALLHOISM-CYBMUJFWSA-N 312.439 1.401 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)sc1C 72297354 YSPLJSWUBCRJNF-VXGBXAGGSA-N 307.419 1.745 0 40 DDAB Cc1csc([C@@H]2CCCN(C(=O)c3nccnc3N)C2)n1 72299583 CREWRFKLWIBSKW-SNVBAGLBSA-N 303.391 1.844 0 40 DDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCCC1 9481362 UHHOCLDRKBGESX-AWEZNQCLSA-N 315.373 1.510 0 40 DDAB C[C@H](O)C[C@H]1COCCN1C(=O)NCCCc1cccc(F)c1 97095020 ACBLDUOKKIIFAW-BBRMVZONSA-N 324.396 1.940 0 40 DDAB CN1CCN(CCNC(=O)C[C@H]2CCc3ccccc3C2)CC1 71899387 FJSPMNGMNQOZOE-INIZCTEOSA-N 315.461 1.545 0 40 DDAB CN(C(=O)c1cn[nH]n1)[C@@H]1CCN(c2ccccc2Cl)C1=O 71896595 PVDYCRWWANQKAD-GFCCVEGCSA-N 319.752 1.336 0 40 DDAB C[C@H](CNC(=O)c1cc(Cl)ccc1F)N1CCN(C)CC1 71867482 KEKZUDHOFOFOBJ-LLVKDONJSA-N 313.804 1.845 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCn1nnc2ccccc21 9667816 MZRAMIONGMHDHP-LBPRGKRZSA-N 324.340 1.751 0 40 DDAB O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2cnccn2)C1 97109547 OPNHEFAVWGDDMW-ZDUSSCGKSA-N 310.423 1.307 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)Nc1cnn(CC(F)F)c1 72546390 GCMKOHVQLPKYLQ-UHFFFAOYSA-N 303.313 1.184 0 40 DDAB O=S(=O)(CCCF)NC[C@@H](O)c1ccc(Cl)c(F)c1 95447168 SRLHUDUVTFTNBT-LLVKDONJSA-N 313.753 1.792 0 40 DDAB COCCNc1ccc(CNC(=O)c2c[nH]c(C)cc2=O)cc1 95418035 CYWIPQIDLUKFGH-UHFFFAOYSA-N 315.373 1.672 0 40 DDAB CC[C@@H](CO)N1CCN(C(=O)Cc2cc(C)ccc2C)CC1 95430236 QBKGFQSGUXGRDU-KRWDZBQOSA-N 304.434 1.761 0 40 DDAB CO[C@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 95400515 RTCSKMMPNZTSIJ-DLBZAZTESA-N 318.417 1.525 0 40 DDAB CN(C)CCN(C(=O)c1nccn2ccnc12)c1ccccc1 73127342 WUJQOJJAFIVDDQ-UHFFFAOYSA-N 309.373 1.938 0 40 DDAB Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1 98036424 MSWOFARQGIYJOK-OAHLLOKOSA-N 316.401 1.952 0 40 DDAB C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)c1nccnc1C(N)=O 73939464 IXHLFTJUWDLORU-GXSJLCMTSA-N 316.386 1.655 0 40 DDAB Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CCN(C)C(=O)C2)o1 95954486 ZFHPNWNJYLIPLQ-AWEZNQCLSA-N 321.421 1.347 0 40 DDAB CNC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1S(C)(=O)=O 95985127 PGOHDOVLUITIGP-RQJABVFESA-N 316.467 1.237 0 40 DDAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)NCC2CC2)C1 95999919 YZQJCCQBPDEAOR-OAHLLOKOSA-N 322.430 1.621 0 40 DDAB COCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 74234607 BSPFBIDYMXNYFC-NSHDSACASA-N 319.386 1.872 0 40 DDAB CC(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1Cn1cccn1 75129549 GQQXPJQIOJOINX-ZDUSSCGKSA-N 313.423 1.087 0 40 DDAB CC(C)(C)[C@H](NC(=O)CCNC(=O)Nc1ccccc1)C(=O)O 89621422 BLDVHSHGOOQABE-CYBMUJFWSA-N 321.377 1.814 0 40 DDAB CC(C)(CNC(=O)N1C[C@@H](N)C2(CCC2)C1)c1ccncc1 1553472585 MONAABCZCDWGPU-CQSZACIVSA-N 302.422 1.882 0 40 DDAB CCc1cc(N2CCc3ncnc(N(C)C)c3C2)n2ncnc2n1 65458793 ZAGUFHUYGCUIAA-UHFFFAOYSA-N 324.392 1.105 0 40 DDAB Cc1ncc(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)c(=N)[nH]1 547751137 NDOVKVTVKTUVCB-UHFFFAOYSA-N 318.327 1.790 0 40 DDAB Cc1noc([C@@H](NC(=O)[C@H]2CCCS2)C2CCOCC2)n1 548004158 CDXQWYZMEBLEFS-NEPJUHHUSA-N 311.407 1.858 0 40 DDAB Cc1cc(CS(=O)(=O)N2CCCC[C@H]2CCC(=O)O)on1 548241407 APGSKIXBOXBSFK-NSHDSACASA-N 316.379 1.532 0 40 DDAB Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C)n1 3176576 OASFQIQCNPJCPO-UHFFFAOYSA-N 320.374 1.912 0 40 DDAB biogenic Cn1nccc1CNC(=O)N1CCCN(CC(F)(F)F)CC1 79452686 MGWDDWPPHPKBCZ-UHFFFAOYSA-N 319.331 1.200 0 40 DDAB CNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217705094 YFXLRGPXNLGAIH-UHFFFAOYSA-N 310.331 1.498 0 40 DDAB O=S(=O)(NCCN1CCCC[C@@H]1CCO)c1ccccc1 78773055 HGRHFUXRGILPSO-CQSZACIVSA-N 312.435 1.202 0 40 DDAB Cc1c(C(=O)N2CCn3c(CO)nnc3C2)oc2ccccc12 72347147 RPKIAGMDDMCEFI-UHFFFAOYSA-N 312.329 1.481 0 40 DDAB CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 79410137 BQXONZPLDZMMAD-OLZOCXBDSA-N 313.442 1.828 0 40 DDAB COc1ccc(C)cc1-n1nc(C(C)=O)cc(C(=O)O)c1=O 225966674 NTQVDFJUOLAMEV-UHFFFAOYSA-N 302.286 1.450 0 40 DDAB CN(C)c1cccc(CNC(=O)N2CC[C@@H]3CNC[C@@H]3CC2)n1 568371511 HJZGOERSBKALGB-OKILXGFUSA-N 317.437 1.289 0 40 DDAB C[C@@H](Cc1ccccc1F)Nc1[nH]c(=N)nc2c1cnn2C 573220096 XXKYQUMVOLAFAS-VIFPVBQESA-N 300.341 1.958 0 40 DDAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223634634 AIUPFBKVXRAXFP-LSDHHAIUSA-N 316.430 1.775 0 40 DDAB CCC[C@@H](N)C(=O)N1CCN(CCc2ccc(F)cc2)CC1 195543834 YWXFKBPFLOEMTR-MRXNPFEDSA-N 307.413 1.640 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2 40386687 HKEDRYBDTZEXOW-LBPRGKRZSA-N 313.361 1.800 0 40 DDAB C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCCc2nn(C)cc21 573782979 LZQAEKBVISVTLT-HZMBPMFUSA-N 312.439 1.362 0 40 DDAB CC[C@]1(C)CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCO1 195574863 SWUHKGNYPYAVBJ-WCQYABFASA-N 323.359 1.834 0 40 DDAB Nc1cc(C(=O)N2CCCC2)ccc1NCCN1CCOCC1 225450857 IOUIAPRAWFCPMY-UHFFFAOYSA-N 318.421 1.249 0 40 DDAB CCc1nnc(NC(=O)N2CCN(Cc3ccon3)CC2)s1 96433727 CBDOEKNRNNHMGK-UHFFFAOYSA-N 322.394 1.438 0 40 DDAB Cn1cc(CN2CCC3(CC2)C[C@H](c2cnn(C)c2)CO3)cn1 96047792 XJVWBHMAFFLPML-HNNXBMFYSA-N 315.421 1.692 0 40 DDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 96185605 BNIGJIMWWDWBLI-PMPSAXMXSA-N 317.462 1.934 0 40 DDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)Cc2ccsc2)C3)n1 96110046 PHMUOMXIWDQYJB-IUODEOHRSA-N 319.386 1.409 0 40 DDAB O=S(=O)(CCn1cnnc1)c1cccc(Br)c1 95438549 YJGOKWGNKOAUKZ-UHFFFAOYSA-N 316.180 1.515 0 40 DDAB COCCN(CCNc1ncncc1Br)C1CC1 97228352 ZDVYIPLHAMFZGL-UHFFFAOYSA-N 315.215 1.762 0 40 DDAB CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)c1 92511194 ZSBQZRMTSNRNHV-CYBMUJFWSA-N 316.361 1.865 0 40 DDAB CCc1n[nH]c(=S)n1CCNC(=O)[C@H]1CCCCN1CC 96440901 MYYOGHRDLBNAKU-LLVKDONJSA-N 311.455 1.494 0 40 DDAB Cc1cc(NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)nn1C 96485982 VERKIYXQLDDPGY-SNVBAGLBSA-N 319.331 1.829 0 40 DDAB CC(C)CN1CC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226042 JCUWPFFKYNDFSA-INIZCTEOSA-N 302.378 1.897 0 40 DDAB CN(C)C(=O)N1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 96110400 WMIYIXQXSOELEX-WBVHZDCISA-N 319.405 1.761 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2 96215090 FTPYOFRAMWHVNZ-OAHLLOKOSA-N 309.435 1.472 0 40 DDAB Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)cn1 96083005 QVGKNUOINICMTR-QWHCGFSZSA-N 316.386 1.502 0 40 DDAB O=C(c1cocn1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247874647 SOIVTMSAXKVHCX-LBPRGKRZSA-N 315.329 1.380 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccncc3Cl)CCO2)n1 266650850 FDJBPGXHIPWEJI-NSHDSACASA-N 321.768 1.629 0 40 DDAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1ccncc1F 575609260 SWEORDQZPGYWGX-UHFFFAOYSA-N 314.320 1.673 0 40 DDAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cnccn2)CC1 43978077 SHCYPNMLASODTE-UHFFFAOYSA-N 319.409 1.427 0 40 DDAB Cc1ccc(CC[C@H](C)NC(=O)N2CC(=O)N(C3CC3)C2)o1 684117446 AOGGXLGFZCTOHZ-NSHDSACASA-N 305.378 1.883 0 40 DDAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1CC1CC1 69778740 OGINOWHUCVAFAY-GJZGRUSLSA-N 316.405 1.133 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NCC[C@H]1CCCO1 70960395 VYLFQDXKNJPBFE-CYBMUJFWSA-N 315.373 1.472 0 40 DDAB CCS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 75091934 PFEZDLLSPFFEME-AWEZNQCLSA-N 310.419 1.621 0 40 DDAB CN(CCN1CCOC1=O)C(=O)Cc1c[nH]c2ccccc12 89346196 VRSSYDXOMQMQAZ-UHFFFAOYSA-N 301.346 1.621 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@]2(CNCCO2)C1 1577184337 GSTVVGBNKTZJPT-YOEHRIQHSA-N 322.380 1.574 0 40 DDAB Fc1cnc(N2CCN(c3ncnc4c3CCCC4)CC2)nc1 680530231 CGPMZCKTXYCSQX-UHFFFAOYSA-N 314.368 1.611 0 40 DDAB Cc1cc(C(=O)O)nc2cc(I)nn12 1548918942 UNURBXOPAMNZCO-UHFFFAOYSA-N 303.059 1.341 0 40 DDAB CCN(CC)CCCNC(=S)NCCCN(CC)CC 5561558 ZVWJEUNDFGRNEP-UHFFFAOYSA-N 302.532 1.914 0 40 DDAB CCc1nn(CC(=O)N(CC)CC)c(=O)c2cc3occc3n12 12115456 FWEILSORNXFZDM-UHFFFAOYSA-N 316.361 1.673 0 40 DDAB C[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)n1cncn1 12201508 ADGDNBHBVKZORD-LBPRGKRZSA-N 313.361 1.396 0 40 DDAB C[C@@H](CC(=O)N1CCc2ncc(Cl)cc2C1)n1cncn1 12220664 PFJBXWKGIOPZMZ-JTQLQIEISA-N 305.769 1.863 0 40 DDAB S=c1[nH]nc(Cc2ccccc2)n1CCN1CCOCC1 13684486 WJCFEWNZLMRHPM-UHFFFAOYSA-N 304.419 1.864 0 40 DDAB COc1cc(OC)c(OC)cc1CN1C(=O)[C@H](C)NC1=S 15570339 IJYMLQHTHAXNLM-QMMMGPOBSA-N 310.375 1.318 0 40 DDAB Cc1nnc2c(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nccn12 1888890927 DQWTVOLRLQQWIE-OLZOCXBDSA-N 322.372 1.218 0 40 DDAB O=S(=O)(N[C@H]1CCCN(c2ccnc(C3CC3)n2)C1)C1CC1 1889104484 QSUYYVOJPJDVMC-LBPRGKRZSA-N 322.434 1.405 0 40 DDAB CC(C)n1ncc2cc(C(=O)N3CCC(C(N)=O)CC3)cnc21 25951742 AHPLLSHKWNOMMJ-UHFFFAOYSA-N 315.377 1.350 0 40 DDAB O=C1COc2ccc(S(=O)(=O)Oc3ccccc3F)cc2N1 29221807 MWSPBYCSBDFBFM-UHFFFAOYSA-N 323.301 1.924 0 40 DDAB Cc1cnc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cn1 31737649 AIVABCMTMFWNAR-SNVBAGLBSA-N 312.329 1.607 0 40 DDAB O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(F)c(Cl)c1 77108021 PZLFHXYKKXDDSW-GFCCVEGCSA-N 307.774 1.918 0 40 DDAB O=C(COc1ccccc1)NCc1nnnn1C1CCCCC1 10594223 OHBFXHDTYXTXPE-UHFFFAOYSA-N 315.377 1.874 0 40 DDAB CN1CC2(CN(C(=O)c3cccc(Cl)n3)C2)c2nccnc21 2055794331 KSXGZIMORFSPFG-UHFFFAOYSA-N 315.764 1.369 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@H]3COC[C@@H]3C2)C1 1775977219 GWEYANZRIGSPBP-IHRRRGAJSA-N 324.421 1.738 0 40 DDAB Cc1cc(-c2cccnc2)nn1CCNC(=O)C1CCOCC1 390826337 IKKXHKMZKDWDPV-UHFFFAOYSA-N 314.389 1.796 0 40 DDAB COc1cc(OC)nc(N2CC(COc3cccnc3)C2)n1 2298192882 HGIWFJWOPHXVMC-UHFFFAOYSA-N 302.334 1.404 0 40 DDAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccno1 675007671 GLJRDXGFPCCRPW-QGZVFWFLSA-N 316.357 1.719 0 40 DDAB CN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 7991005 ZIQDKLXMTLOXTK-LLVKDONJSA-N 322.162 1.529 0 40 DDAB COC(=O)c1ccc(C(=O)NCC[C@H](O)c2ccco2)cc1 77110959 DIARSKWRULASOB-ZDUSSCGKSA-N 303.314 1.920 0 40 DDAB CCN1CCO[C@H](C(=O)N(C2CC2)[C@@H](C)c2ccccn2)C1 73019090 RDQWXNCMWPZBPF-BBRMVZONSA-N 303.406 1.854 0 40 DDAB O=C(CCN1CCC(O)CC1)Nc1ccnn1C1CCCC1 40025014 DMJHDUNVVYHIKZ-UHFFFAOYSA-N 306.410 1.784 0 40 DDAB O=C1NCCCC[C@@H]1NCc1ccc(-n2cncn2)c(F)c1 40554315 SMMXQMRNZHMYPA-ZDUSSCGKSA-N 303.341 1.165 0 40 DDAB CC(C)c1noc(CN2C(=O)c3ccccc3S2(=O)=O)n1 29137899 QXVIBHUWTIKBRL-UHFFFAOYSA-N 307.331 1.538 0 40 DDAB CC(=O)N1CCN(C(=O)c2c(Cl)nc3sccn23)CC1 3230769 VTKLUCRDQKBSIB-UHFFFAOYSA-N 312.782 1.354 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCO1 32471141 AAKKNBDCHBUUIS-NWDGAFQWSA-N 322.792 1.940 0 40 DDAB CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11906490 QWWWAGJDWSDWCY-UHFFFAOYSA-N 317.370 1.656 0 40 DDAB Cc1cccc2nc(Cn3nnc4ccccc4c3=O)cc(=O)n12 29876774 PBSVZSQVWFZJBV-UHFFFAOYSA-N 319.324 1.156 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2nccs2)CC1 46462175 XOQIYXBVNVIYHW-LBPRGKRZSA-N 320.422 1.260 0 40 DDAB Cn1ncc(Br)c1C(=O)N1CCN2CCC[C@H]2C1 2767680 HHURMLLKOPWPAY-VIFPVBQESA-N 313.199 1.103 0 40 DDAB Cc1c(NC(=O)c2nn(C)c(C)c2Br)cnn1C 2781450 PCPGSFOOBTYGMB-UHFFFAOYSA-N 312.171 1.785 0 40 DDAB O=C1NC(=S)N(C(=O)[C@H]2CCCO2)/C1=C/c1ccccc1 59471495 VNFGCMAUJYHXML-LMMOQWNQSA-N 302.355 1.450 0 40 DDAB COc1cc(OC)c(N2C(=O)[C@@H]3CN=N[C@H]3C2=O)cc1Cl 101630027 ABVXTTXRDHIOOP-KSBSHMNSSA-N 309.709 1.681 0 40 DDAB Nc1nccnc1C(=O)N1CCN(Cc2cccs2)CC1 22691943 FOBYOXLEDZYDSP-UHFFFAOYSA-N 303.391 1.078 0 40 DDAB CCN(Cc1cc(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 53766804 GHJLQVGAWIBKSB-UHFFFAOYSA-N 309.316 1.389 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)c1ccnc(-n2ccnc2)c1 53810024 WTBHVKYONNMOFW-AWEZNQCLSA-N 313.405 1.872 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C[C@@H](C)O1 47103013 DDMIXQUIOAHJOH-HZSPNIEDSA-N 319.409 1.264 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 815506 GZTUNHHAWNJURI-DGCLKSJQSA-N 318.398 1.496 0 40 DDAB CC(=O)NC1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1 50416451 RPSPNXMPMRACEB-UHFFFAOYSA-N 313.361 1.008 0 40 DDAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(CCO)CC2)cc1 22943335 KHPBVSDIXXXFPZ-OAHLLOKOSA-N 319.449 1.036 0 40 DDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cnccn1 24226286 KYGXNMIBIXQBPQ-UHFFFAOYSA-N 307.357 1.994 0 40 DDAB CC1CCN(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 58178653 XHODJLOPBHOTNE-HUUCEWRRSA-N 317.499 1.673 0 40 DDAB O=C(Nc1cc(-n2cccc2)ccc1F)[C@@H]1CCS(=O)(=O)C1 69708458 DJJBHCIBYKGWMT-LLVKDONJSA-N 322.361 1.990 0 40 DDAB CC(=O)OC1[C@H]2C(=O)[C@@H]3[C@H]4C=C[C@H]5C4C4[C@H]3[C@H]2[C@@H]2[C@@H]1C(=O)[C@@H]5[C@@H]42 104289692 KDWQSRJKZWENCT-FYOPICSBSA-N 310.349 1.102 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCc1cccnc1 12527361 YLKQDBSZUVZALO-UHFFFAOYSA-N 307.357 1.943 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCN([C@H]3C[C@@H](C)OC3=O)CC2)n1 106663033 ZPUBDMKXYRTQFP-UPJWGTAASA-N 322.409 1.576 0 40 DDAB CC(=O)N[C@H](C)C(=O)NCc1ccc(OC(F)(F)F)cc1 25406635 BNKVIZLRSVVJCI-MRVPVSSYSA-N 304.268 1.726 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1CCC[C@@H](O)C1 108364785 QNFWEWPNIGAFJN-UONOGXRCSA-N 321.396 1.961 0 40 DDAB CCc1nnc2n1CCN(Cc1nnc(-c3ccco3)o1)C2 69490250 DDVZWZNOOUGJGQ-UHFFFAOYSA-N 300.322 1.499 0 40 DDAB C[C@H](C(=O)N1CCN(Cc2cccs2)CC1)n1cccn1 44679926 MUAKHZXPUZRJSH-CYBMUJFWSA-N 304.419 1.850 0 40 DDAB CONC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12694177 RTEAIVVSXCBRMH-UHFFFAOYSA-N 320.370 1.456 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC1CCCCC1 10031787 GEMREVOLNJECOA-UHFFFAOYSA-N 316.409 1.562 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 21821992 APEINNYJGPSPHV-GRYCIOLGSA-N 306.362 1.852 0 40 DDAB O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1ccc(F)cc1 27441631 IAEQCVVMFDCYJZ-AWEZNQCLSA-N 306.337 1.335 0 40 DDAB CCOc1cn(C)c(C(=O)NCCc2ccc(F)cc2)cc1=O 23135561 IXLUYUKFLADBEX-UHFFFAOYSA-N 318.348 1.896 0 40 DDAB C[C@H](c1c(F)cccc1F)N1CCN(CC(=O)N(C)C)CC1 58201703 VKTDRUXSVCWQEB-GFCCVEGCSA-N 311.376 1.732 0 40 DDAB Cc1nc(NCC(=O)NCCc2ccccc2)c2cnn(C)c2n1 58283846 LGMSGFFONABZET-UHFFFAOYSA-N 324.388 1.443 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(N(C)C)c1 3347773 RMWUGFIULDOJFH-SNVBAGLBSA-N 307.350 1.144 0 40 DDAB Cn1ccc(C(=O)N2CCn3c(-c4ccncc4)cnc3C2)n1 306130085 IVYHHSAFNRIJKS-UHFFFAOYSA-N 308.345 1.335 0 40 DDAB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(N)=O 44906769 CHUQHFNYTBXTFS-UHFFFAOYSA-N 307.331 1.409 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccncc1 44908259 BUMDUJJRVODZRQ-ZFWWWQNUSA-N 311.389 1.965 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)NC[C@H]1CCCO1 44945536 XSXJPYRJGRRRFU-CQSZACIVSA-N 304.394 1.660 0 40 DDAB COCCN(Cc1ccco1)S(=O)(=O)N1CCCC[C@@H]1C 44914343 BTXZIZDSEQVWPV-ZDUSSCGKSA-N 316.423 1.847 0 40 DDAB COc1ccc(-c2noc(=O)n2Cc2cccnc2)cc1OC 58324322 NIMZCQLCJFKJAV-UHFFFAOYSA-N 313.313 1.964 0 40 DDAB Cc1nc(CNC(=O)NCc2ccc(C(N)=O)cc2)cs1 45342378 DLQOVPIHAFCRAA-UHFFFAOYSA-N 304.375 1.550 0 40 DDAB Cc1nc2ccccc2nc1CN1CCN(C(=O)C2CC2)CC1 48251701 BZEMZHOSMCQDHX-UHFFFAOYSA-N 310.401 1.992 0 40 DDAB COC(=O)C1(NS(=O)(=O)Cc2ccccc2)CCCCC1 12873961 ZUWLVPFZPLBREL-UHFFFAOYSA-N 311.403 1.982 0 40 DDAB Cc1ccc2c(COC(=O)c3nccnc3N)cc(=O)oc2c1 3568494 JJLNUQVNHWTHFK-UHFFFAOYSA-N 311.297 1.831 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1noc(C2CC2)n1 69840909 AMKWBPBNTSOPLQ-UONOGXRCSA-N 304.394 1.922 0 40 DDAB C[C@@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)N1CCCC1 63732765 JVKOBTXAAJVPCU-ZDUSSCGKSA-N 317.389 1.857 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1Sc1nnc(O)[nH]c1=O 4158669 RIFAZTSPIQICHA-UHFFFAOYSA-N 315.358 1.824 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14120630 KYXUWGBFACWHMZ-INIZCTEOSA-N 321.352 1.365 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 6658457 APPHYBZRXBQTBJ-UWVGGRQHSA-N 304.343 1.618 0 40 DDAB COCCOc1ccccc1C(=O)N1CCC[C@H](C(=O)O)C1 66152161 SQZWPALYXNRYBE-LBPRGKRZSA-N 307.346 1.649 0 40 DDAB CCOC(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 8879812 PQGXOOYPAAFXRW-AWEZNQCLSA-N 316.357 1.591 0 40 DDAB biogenic CNC(=O)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 66870572 CNFNNNFRRJALLL-KRWDZBQOSA-N 323.396 1.458 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cnn(C)c2)cc1 27919108 QHFYSNUFFKYMDC-JTQLQIEISA-N 322.390 1.418 0 40 DDAB O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(F)cc1 8136638 NFGXHMWSZJWRGO-UHFFFAOYSA-N 321.739 1.920 0 40 DDAB CCNC(=O)CNC(=O)CSc1cc(C)c2ccccc2n1 9377833 JZZLWXUVPVKNTQ-UHFFFAOYSA-N 317.414 1.888 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCn1c(=O)oc2ccccc21 89938006 MWJDWUMCXIJGFK-LBPRGKRZSA-N 303.362 1.147 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 71803289 HMTQIIIWARAVIJ-SNVBAGLBSA-N 316.361 1.516 0 40 DDAB Cn1ncc(N[C@@H]2CCCC[C@H]2CO)c(Br)c1=O 76065116 PALYHOJUSFVVIG-DTWKUNHWSA-N 316.199 1.506 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C12CCC2 72295803 WVPDQGGFGAOIGN-KWCYVHTRSA-N 308.422 1.755 0 40 DDAB CCc1nnc2n1C[C@H](CNCc1nnc(C(C)(C)C)o1)CC2 72267495 NMXBLOCVHYYNSN-NSHDSACASA-N 318.425 1.873 0 40 DDAB O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]c(=O)[nH]1 76088002 HFXPNHMHMNIDBN-SSDOTTSWSA-N 320.658 1.785 0 40 DDAB O=C(CN[C@H](c1cc(F)ccc1F)C1CC1)N1CCNC1=O 97034242 PNNYHMMHALQVIG-AWEZNQCLSA-N 309.316 1.557 0 40 DDAB O=C(Cn1cnnn1)NCCCc1ccc(Cl)cc1Cl 76093594 LGJHNKUPGCLOSA-UHFFFAOYSA-N 314.176 1.729 0 40 DDAB CC(C)(C)n1ncc2c(N[C@H]3CCCN(C(N)=O)C3)ncnc21 97108334 SATFLADGNUTKMZ-JTQLQIEISA-N 317.397 1.536 0 40 DDAB CC(C)(C)c1nc(CC(=O)NCC2(O)CCOCC2)cs1 72304475 OBMOVHJVBMERRU-UHFFFAOYSA-N 312.435 1.641 0 40 DDAB CN(C)c1ncnc2c1CN(CCC(=O)N1CCCCC1)CC2 97202515 JZYCACXAZLIREU-UHFFFAOYSA-N 317.437 1.303 0 40 DDAB CCN(CC)C(=O)CN(Cc1cccnc1)C[C@H]1CCCO1 76779744 DCNLEHIOWRVSHD-MRXNPFEDSA-N 305.422 1.931 0 40 DDAB CC(C)c1nsc(N[C@H]2CCN(C3CCOCC3)C2=O)n1 95408666 SWOGYWPDMXSZFY-NSHDSACASA-N 310.423 1.853 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N2CCOC3(CCCC3)C2)c1CC 95422748 MBYPXBXXHHCELO-UHFFFAOYSA-N 319.405 1.680 0 40 DDAB CC[C@H](C)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 95947313 JJCYPBIDAXZWDK-ZDUSSCGKSA-N 321.396 1.955 0 40 DDAB COn1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc21 95966710 ICEMQLABWLJLMR-PHIMTYICSA-N 324.406 1.156 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)c1c(O)cccc1O 95986376 DJGXJXFATQMRGQ-UHFFFAOYSA-N 303.362 1.811 0 40 DDAB COCCN1CCC(CNC(=O)COc2cccc(F)c2)CC1 89414266 FDUMQVNSBGMTQH-UHFFFAOYSA-N 324.396 1.679 0 40 DDAB O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1CN2CCC[C@@H]2CO1 89774716 VATNSDIKJMWYOG-PMPSAXMXSA-N 322.380 1.229 0 40 DDAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(C)no3)cc12 25016424 QFEKRCGUOQGUAC-UHFFFAOYSA-N 300.274 1.898 0 40 DDAB CN(C)CCCNS(=O)(=O)c1ccc(-n2cccn2)cc1 36364940 TXWSKGBQPLKWEF-UHFFFAOYSA-N 308.407 1.102 0 40 DDAB CCOc1ccccc1N[C@]1(O)CSc2nc(C)cc(=O)n21 35682843 QXCIRQBAMPAERN-OAHLLOKOSA-N 319.386 1.771 0 40 DDAB CN(C)c1cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)ccn1 72369433 IKBNHJAROXDXRM-INIZCTEOSA-N 316.449 1.949 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1cccc(OC)c1 79042178 HIUVDLOUJYDYFX-LBPRGKRZSA-N 313.419 1.519 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2cc(-c3ccccc3F)on2)N1 38754275 XUNVYOVDVBSWGH-LBPRGKRZSA-N 303.293 1.376 0 40 DDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32639798 PLQGYFQLOUOXTR-JQWIXIFHSA-N 314.407 1.920 0 40 DDAB C[C@H](N)C(=O)N(C)C1CCN(C(=O)OCc2ccccc2)CC1 79393085 PEDOJJQDXYMPFG-ZDUSSCGKSA-N 319.405 1.593 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1nc2ccccc2s1 42383809 QXJYMARBXFERRR-VIFPVBQESA-N 310.400 1.461 0 40 DDAB CN(C)C[C@H]1CN(C(=O)c2cn(C)nc2C2CCC2)CCO1 574903837 GCGPETCMVLCIDT-ZDUSSCGKSA-N 306.410 1.090 0 40 DDAB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccc(F)c(Cl)c1 40386574 HIYGWJHQYHTMCX-SSDOTTSWSA-N 323.715 1.668 0 40 DDAB CC(C)N(CC1CCC1)C(=O)N[C@H](C)CN1CCN(C)CC1 193628846 GMPPCBXCLBIZGD-OAHLLOKOSA-N 310.486 1.842 0 40 DDAB C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)O1 527549671 ONSYGLZVTPOTEE-QGPMSJSTSA-N 318.417 1.480 0 40 DDAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223634693 AIUPFBKVXRAXFP-GJZGRUSLSA-N 316.430 1.775 0 40 DDAB CC[C@@H](C)n1[nH]c(=NC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1C 332805286 ASBBKDPDZWGJOL-ZWNOBZJWSA-N 316.409 1.987 0 40 DDAB Cn1cc(CN2CCCN(C(=O)c3ccsc3)CC2)nn1 92875415 ZRTLRJDCFKDDIT-UHFFFAOYSA-N 305.407 1.225 0 40 DDAB CN(C)c1ccnc(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)c1 97101803 IXWLFZXOVBHRQL-QGZVFWFLSA-N 312.373 1.278 0 40 DDAB Cc1noc(C)c1CC(=O)N(CCS(C)(=O)=O)C(C)(C)C 97101024 BQMPPEFVIDNHPU-UHFFFAOYSA-N 316.423 1.506 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3ccsc3)CCO2)n1 96432801 CDMJDFTUVXWNMV-CYBMUJFWSA-N 306.391 1.498 0 40 DDAB Cc1ccc(N2CC[C@@H](N(C)CCS(C)(=O)=O)C2=O)cc1 96424185 JSOBTUNWQFQYEG-CQSZACIVSA-N 310.419 1.077 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 96161782 TUOJAHFBEKLDCU-TXEJJXNPSA-N 318.377 1.886 0 40 DDAB CCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc(C)cc1 96183795 MGNRBKQTHFJFHR-LSDHHAIUSA-N 322.430 1.520 0 40 DDAB COCCOC1CCN(C(=O)Cc2c(C)noc2Cl)CC1 96408526 QPFYSZSQBVGNEP-UHFFFAOYSA-N 316.785 1.833 0 40 DDAB CC[C@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C[C@H](C)O1 96410730 MZUBPBKZLOZVMX-QEJZJMRPSA-N 323.441 1.232 0 40 DDAB C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](c2ccco2)C1 96441277 DPTTXSZVJJYBTL-NWDGAFQWSA-N 317.345 1.129 0 40 DDAB CS(=O)(=O)NCC[C@H]1CN(C2CCCC2)Cc2ccnn21 247513355 JAEVBCJMXLYOTH-AWEZNQCLSA-N 312.439 1.122 0 40 DDAB CS(=O)(=O)NCC[C@@H]1CN(C2CCCC2)Cc2ccnn21 247513363 JAEVBCJMXLYOTH-CQSZACIVSA-N 312.439 1.122 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 257243525 IHKFLNDLIQPHKK-NSHDSACASA-N 320.374 1.469 0 40 DDAB Cc1cc([C@H](O)CCNC(=O)C(=O)NCc2ccco2)c(C)o1 253401850 NPJZAWAWGYBGIE-CQSZACIVSA-N 320.345 1.346 0 40 DDAB Cc1cc(C2CCN(C(=O)c3ccnnc3)CC2)nc2ccnn12 257271446 MYJKKAKTPNENAU-UHFFFAOYSA-N 322.372 1.848 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2oc3ccccc3c2C)CCO1 257286180 PKPZCSUSCYSRMF-KRWDZBQOSA-N 316.357 1.718 0 40 DDAB CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CC[S@](=O)C1 252495524 OSBSYTCRRQSTRO-FPTDNZKUSA-N 324.446 1.802 0 40 DDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257249660 JJGNXWMREPXRES-LLVKDONJSA-N 321.406 1.314 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2ccc(F)c(Cl)c2)CCO1 257326741 WYLCGAPWNLPPID-CYBMUJFWSA-N 300.717 1.196 0 40 DDAB COc1cccc([C@H](CNC(=O)C(=O)NC2CCCC2)OC)c1 96390423 VICXIDCBMNMTOQ-HNNXBMFYSA-N 320.389 1.558 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575403846 KVJMLJOLSFEDML-JHJVBQTASA-N 303.362 1.271 0 40 DDAB Cc1ncoc1C(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093437 WNYOZBPORFOMHY-CYBMUJFWSA-N 313.304 1.313 0 40 DDAB Cc1cncc(CN2CC(F)(F)C[C@@]3(CCN(C)C3=O)C2)n1 585093481 YYCBDHFJMNJCAM-AWEZNQCLSA-N 310.348 1.475 0 40 DDAB COc1cccc(C(=O)N2CCC[C@@](CCC(N)=O)(OC)C2)c1 585276788 JATLDDIGSOZQGX-KRWDZBQOSA-N 320.389 1.582 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nnc2ccccc21 52413147 QZVIEGICTAJUDM-GFCCVEGCSA-N 304.350 1.135 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCN2CCN(C)CC2)o1 53718181 IOMYUOFYLQPIEH-GDBMZVCRSA-N 319.449 1.699 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 68910041 CNFTXMKPMNDCKB-UHFFFAOYSA-N 314.382 1.210 0 40 DDAB Cc1cc(N(C)C)nc(N2CCC[C@H]2Cn2nc(C)nc2C)n1 69559620 AZEKYMUCDIEMJX-AWEZNQCLSA-N 315.425 1.728 0 40 DDAB COC(=O)CNC(=O)c1[nH]nc(C(C)C)c1Br 69538188 IOFFTAPZJQSLNV-UHFFFAOYSA-N 304.144 1.198 0 40 DDAB COc1ccnc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)n1 65614998 UVTFEEYCTYQJOD-GFCCVEGCSA-N 304.394 1.570 0 40 DDAB O=C(NCc1cccs1)N1CCN(C[C@@H](O)C2CC2)CC1 85466782 LHADUXPMJDPWLS-CQSZACIVSA-N 309.435 1.346 0 40 DDAB COc1ccc(-c2cc(C(=O)N3CC[C@H](N)C3)no2)c(F)c1 97228904 GBIJSFRTCCONCS-VIFPVBQESA-N 305.309 1.663 0 40 DDAB O=S(=O)(NCc1nc[nH]n1)c1ccc(F)cc1C(F)(F)F 89768474 CYYOZAWPIJTSTG-UHFFFAOYSA-N 324.259 1.441 0 40 DDAB C[C@@H](c1cccnc1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100018626 YJVLFNZBZUJYKU-PHCHWBIASA-N 300.314 1.009 0 40 DDAB CCOc1ccccc1/C=C1/NC(=O)N(CC(=O)OC)C1=O 5006674 AGOGFTROKOXBFH-DHZHZOJOSA-N 304.302 1.151 0 40 DDAB C[C@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O 12146846 HDWPFWHTOXHISQ-BLLLJJGKSA-N 324.446 1.526 0 40 DDAB Cc1ccnc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)c1 12666897 BJEIGHDTKXKHII-SNVBAGLBSA-N 302.359 1.622 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 13632401 FSUSYNYCANSDFP-UHFFFAOYSA-N 311.403 1.710 0 40 DDAB CCOC(=O)[C@H](C)CN1CCN(C[C@@H](C)C(=O)OCC)CC1 19797924 RWWDHEQJEDLGRP-ZIAGYGMSSA-N 314.426 1.002 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619640 JBRQLWVBBWJLQN-LOWDOPEQSA-N 323.732 1.941 0 40 DDAB O=C(NCCn1ccn2nccc12)c1ccc(Br)o1 206744214 VQVWKTRRTHXQCE-UHFFFAOYSA-N 323.150 1.921 0 40 DDAB CCOC(=O)c1c(O)c2ccnc(C(F)(F)F)c2n(C)c1=O 167784655 NFPOVFOQUQLAJL-UHFFFAOYSA-N 316.235 1.835 0 40 DDAB COc1cccc(CC(=O)N(C)C2CN(c3ccccn3)C2)c1 1888863695 VAZKNAHGOOKNQP-UHFFFAOYSA-N 311.385 1.980 0 40 DDAB Cc1cc(C)nc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)n1 1888882263 MMQSAHDMUUOSCJ-CQSZACIVSA-N 305.426 1.129 0 40 DDAB CC(C)c1noc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)n1 1888913534 VNOGQRQKHPXLBC-CYBMUJFWSA-N 322.409 1.406 0 40 DDAB COc1cc(OC)nc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)n1 1889084144 JKKQOOHESKVXQI-TXEJJXNPSA-N 304.394 1.414 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136227 AUOMKDDYFLGLTE-CJNGLKHVSA-N 300.402 1.922 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(c2cnsn2)CC1 585148920 OLSYVUAVDKFTKY-UHFFFAOYSA-N 310.404 1.049 0 40 DDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(Cc2ccncc2)C1 2055771987 OVCJLEOMLUITAN-QGZVFWFLSA-N 313.405 1.358 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](Nc1ncccn1)CC2 2055739415 WWGVKRUWZANLBK-SNVBAGLBSA-N 301.350 1.572 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)C3(c4ccccc4)CC3)C2)n1 585603415 STRKSZXGZVIQGF-UHFFFAOYSA-N 323.396 1.742 0 40 DDAB C[C@@H]1CN(c2ncc(Cl)cn2)CCN1Cc1cnn(C)c1 2298028475 BBMIJXOKWJLQNE-LLVKDONJSA-N 306.801 1.574 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4OC)C(=O)[C@@H]13)O2 1322823 BIRNAPJPYSZWAB-CFAJVAMVSA-N 315.325 1.155 0 40 DDAB biogenic CCOc1cc2c(cc1NC(=O)[C@@H]1CCC(=O)N1)O[C@H](C)C2 73005304 VDDZYWIYDCDSOI-KOLCDFICSA-N 304.346 1.626 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)N1CCCCC1 20123589 DHCQZRYJOXJXHE-CYBMUJFWSA-N 312.410 1.483 0 40 DDAB Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 30967060 NACFIGNHJHCWPC-SNVBAGLBSA-N 316.313 1.871 0 40 DDAB O=C(COc1ccc(Br)cc1F)N1CCOCC1 40457013 MLXOOLSNFXBXBZ-UHFFFAOYSA-N 318.142 1.826 0 40 DDAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 40466555 FPAHMLZZSWNLHK-GFCCVEGCSA-N 308.403 1.660 0 40 DDAB COc1cc(C(=O)NCCN2C(=O)CSC2=O)ccc1C 40554775 IYOKWIBLCAYSHH-UHFFFAOYSA-N 308.359 1.429 0 40 DDAB COc1ccc(CC(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 40536257 MWDRDVLWAXHEOE-OAHLLOKOSA-N 306.406 1.857 0 40 DDAB CN(C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)C1CC1 40555017 KSBHJHNODVAFNF-KGLIPLIRSA-N 319.405 1.466 0 40 DDAB COc1cccc(N2CCN(C(=O)c3ccnc(C)n3)CC2)c1 40554210 GGZLYKVUSPLZDH-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB CN(CCC(=O)NC(N)=O)Cc1ccc(Br)s1 11282809 WUKVKXGTRNXYDZ-UHFFFAOYSA-N 320.212 1.527 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(C)o1 28924526 JZRQGJHQCLUGOD-MRXNPFEDSA-N 313.357 1.925 0 40 DDAB Cc1ccccc1C1(CNC(=O)NCC(C)(C)C(N)=O)CC1 69618102 FVTONVBFUDPHEN-UHFFFAOYSA-N 303.406 1.837 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)NCC2CCC2)CC1 69657840 JIPHUXKSLDQPAD-UHFFFAOYSA-N 302.440 1.401 0 40 DDAB CO[C@@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 897575 YGPRSGKVLATIHT-PWBULWKKSA-N 301.342 1.187 0 40 DDAB CNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C 904654 JMCCTFKKKPSRAA-UHFFFAOYSA-N 322.390 1.337 0 40 DDAB CO[C@H]1[C@H](COC(=O)c2ccccc2)O[C@@H]2OC(C)(C)O[C@H]12 1674786 YRTLYGPRRYJPFB-RMRHIDDWSA-N 308.330 1.735 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N(C)Cc2ccnn2C)c1C 20602595 IKNVUGARIAJPBT-UHFFFAOYSA-N 311.411 1.074 0 40 DDAB Cn1cccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3512155 RGXIQBDQYBNBHX-UHFFFAOYSA-N 316.313 1.227 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(O)cc1O 3529503 GFOBGAOVBSNXHE-GWCFXTLKSA-N 307.346 1.950 0 40 DDAB Cc1nnc(S[C@H](C)C(=O)NCc2ccccc2)nc1O 4911694 RPHFQQHTEMNSBI-SNVBAGLBSA-N 304.375 1.683 0 40 DDAB O=C1OC[C@@H]2C(=O)N3Cc4nc5ccccc5cc4[C@@H]3OC[C@H]12 4984339 VIPUNZPBDGWVHE-MKBNYLNASA-N 310.309 1.395 0 40 DDAB O=C(CN1CCC(O)CC1)Nc1ccc(OC(F)(F)F)cc1 32664890 KRNRXIGBLZZPQA-UHFFFAOYSA-N 318.295 1.980 0 40 DDAB COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)on1 108473946 DEILFULFLYSVKT-IUODEOHRSA-N 319.336 1.998 0 40 DDAB CS(=O)(=O)N1CC[C@]2(CCC[C@H]2C(=O)N2CCCC2)C1 108533305 PEQVPDIQCOUBRZ-GXTWGEPZSA-N 300.424 1.061 0 40 DDAB C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cnn(C)c1 90913844 SIJGEECOZVJRGQ-WBAXXEDZSA-N 314.433 1.706 0 40 DDAB O=C(NCCCO)C1CCN(C(=O)Nc2ccccc2)CC1 32721879 HVGCJBQLICAXJC-UHFFFAOYSA-N 305.378 1.429 0 40 DDAB COCCN1CCCC2(CCN(C(=O)C3CC=CC3)CC2)C1=O 108534497 OEKVZXIMZFNGTM-UHFFFAOYSA-N 320.433 1.830 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCN1C(=O)CCC1=O)C2 102782302 IRNZDAIIVCDJMF-JKDFXYPNSA-N 306.406 1.857 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1ccccc1)N(C)C 22315300 BGYALTYRWOVCJL-QGZVFWFLSA-N 314.433 1.999 0 40 DDAB O=C(NC(C1CC1)C1CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 42012609 HHKCVNYPJMFWGS-CYBMUJFWSA-N 302.374 1.933 0 40 DDAB CCn1cnnc1CNC(=O)N1CCC(N2CCCCC2)CC1 46964992 OTQCSOUCJFUBRN-UHFFFAOYSA-N 320.441 1.458 0 40 DDAB CC(=O)N[C@H]1CCCN(c2cncc(-n3ccnc3C)n2)C1 92891207 KQSMTJQLZUQLLT-ZDUSSCGKSA-N 300.366 1.076 0 40 DDAB CCc1ccccc1N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)OC)[C@@H]3C1=O 100634613 CEICVUCFKFAYJL-FSZRXZPDSA-N 313.353 1.708 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1cccnc1-n1cncn1 47122377 UKTQINAAONDKAY-ZDUSSCGKSA-N 301.350 1.238 0 40 DDAB CNC(=O)[C@H](C)Sc1nnc2ccc(C(F)(F)F)cn12 24145999 WQBRULNHKPZCEK-LURJTMIESA-N 304.297 1.975 0 40 DDAB Cn1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)n1 24579317 BHXVNCVSYUFPRE-UHFFFAOYSA-N 306.322 1.908 0 40 DDAB CCOC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1 56158667 KISOVTSCDMELOD-SNVBAGLBSA-N 320.349 1.607 0 40 DDAB CCCCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 59517024 UKIPGYUAOFVESS-UHFFFAOYSA-N 306.362 1.728 0 40 DDAB CC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@H]1C[C@@H]1C 55739123 XVDLZJZUUPOIKW-ZFWWWQNUSA-N 303.406 1.981 0 40 DDAB CCOC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21 57218584 RQDXDXZDTLPQLD-UHFFFAOYSA-N 300.112 1.050 0 40 DDAB in-vitro C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1nccs1 27976266 PTDUSAARDGQTDP-VIFPVBQESA-N 316.346 1.525 0 40 DDAB O=S1(=O)C[C@H]2[C@H](C1)SC(=S)N2c1cccc(O)c1 3296674 PZOXVLAOSAAIKU-UWVGGRQHSA-N 301.414 1.396 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(COC)cc1 83028405 FCGPXXGPYHKLFD-NWDGAFQWSA-N 313.419 1.910 0 40 DDAB NC(=O)c1ccsc1NC(=O)Cn1c(=O)oc2ccccc21 10029835 ZGYMEZNDWFKGRT-UHFFFAOYSA-N 317.326 1.394 0 40 DDAB CC(=O)Nc1cccc(NC(=O)CN(C)C(=O)c2ccoc2)c1 44754535 LORADFAFRBWEHQ-UHFFFAOYSA-N 315.329 1.949 0 40 DDAB CN1N=C(C(=O)NC[C@H](c2ccco2)N2CCCC2)CCC1=O 44890512 HKHGBCBEDOWHQJ-CYBMUJFWSA-N 318.377 1.141 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@@H]1CCCO1 27879881 MJERMEHNTBUQEC-RISCZKNCSA-N 300.362 1.873 0 40 DDAB Cc1cccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 58356216 QKCOKRRNKFBHSO-JSGCOSHPSA-N 304.346 1.161 0 40 DDAB Cc1cc(-c2nnn(CC(=O)N(C)CC3CC3)n2)ccc1F 58392259 XXRQBUPAOAGBFI-UHFFFAOYSA-N 303.341 1.656 0 40 DDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1ccc(F)cc1 45138605 ZDEJLHOJZAGADB-JTQLQIEISA-N 317.386 1.125 0 40 DDAB CC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 11109895 FTJXQNXIWFSWJW-UHFFFAOYSA-N 319.766 1.336 0 40 DDAB CCCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12 3375601 GGQONHGILCNGSJ-UHFFFAOYSA-N 317.374 1.032 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1OCC 12757311 JXEIORSVSQJLPG-JTQLQIEISA-N 308.334 1.476 0 40 DDAB NC(=O)CN(CCCN1CCCCCC1=O)Cc1cccs1 48276998 XYDKEHDFTPHSNM-UHFFFAOYSA-N 323.462 1.828 0 40 DDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc[nH]c1=O 48261216 RHLZOQBNTCUFNU-UHFFFAOYSA-N 313.235 1.963 0 40 DDAB CCCNC(=O)CNC(=O)Nc1ccc(C)c(NC(C)=O)c1 48363699 PDHKGYZEWDZDGQ-UHFFFAOYSA-N 306.366 1.601 0 40 DDAB O=C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 3442010 SNBXSJONFHRTOD-UHFFFAOYSA-N 302.330 1.566 0 40 DDAB CC(C)CNC(=O)COC(=O)COc1ccc2c(c1)CCC2 3496872 GMKVRYOWDQFZCQ-UHFFFAOYSA-N 305.374 1.870 0 40 DDAB CCN(CC)S(=O)(=O)NCCN1CCc2sccc2C1 48907558 FFFDFAGNKPYIOC-UHFFFAOYSA-N 317.480 1.282 0 40 DDAB C[C@@H](CCc1ccccc1)N1CC(=O)N2CSC[C@H]2C1=O 4084269 VRYSNFITELMPDF-JSGCOSHPSA-N 304.415 1.751 0 40 DDAB biogenic O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3o2)CC1 69419220 HJSMTFSMPYPLNR-UHFFFAOYSA-N 323.356 1.576 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)N2CCCC[C@@H]2C)CC1 69439570 NDIZQGYAXVIEQY-MOKVOYLWSA-N 316.467 1.886 0 40 DDAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 13710573 RBMKNXUQDLAQBE-CYBMUJFWSA-N 304.390 1.795 0 40 DDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CCOC1 65472899 FRKOHGPAGPJTLC-PBHICJAKSA-N 316.401 1.675 0 40 DDAB CC(C)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 65459373 VNAGLFPXUGGPTQ-UHFFFAOYSA-N 313.405 1.362 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 65459326 HUBYASYUJIXIBT-CYBMUJFWSA-N 317.389 1.747 0 40 DDAB Cc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCC2)n1 65593600 CZRUUEJVKYFBLD-UHFFFAOYSA-N 318.421 1.709 0 40 DDAB CC(=O)Nc1ccc(SCC(=O)NCC(=O)NC(C)C)cc1 14242640 WVGBGOTZQXEQBI-UHFFFAOYSA-N 323.418 1.378 0 40 DDAB CN1CCC[C@@H](CNS(=O)(=O)N(C)C)[C@H]1c1ccccc1 110591528 INLUIUPHYARMME-LSDHHAIUSA-N 311.451 1.466 0 40 DDAB NC(=O)[C@H](CNC(=O)NCc1ccco1)Cc1ccc(F)cc1 66457023 YZRSWGLCRLABTC-LBPRGKRZSA-N 319.336 1.562 0 40 DDAB CCn1c(SCC(C)=O)nc2cc(S(N)(=O)=O)ccc21 6977187 LKYNLPQIRHCRBV-UHFFFAOYSA-N 313.404 1.385 0 40 DDAB Nn1c(S)nnc1Cn1c(C(F)(F)F)nc2ccccc21 7465496 FZVQLIXYZOKOBY-UHFFFAOYSA-N 314.296 1.697 0 40 DDAB CCNC(=O)COc1ncnc2ccc(Br)cc12 7653223 NALSIIKMPTWPDU-UHFFFAOYSA-N 310.151 1.907 0 40 DDAB CN1C(=O)C[C@H](NC(=O)c2cscn2)[C@H]1c1ccc(F)cc1 96485024 DAMPKUISBODYSZ-SMDDNHRTSA-N 319.361 1.984 0 40 DDAB O=C([C@@H]1CCCN1Cc1ccccc1)N1CCCn2ncnc21 71841578 HMOFCQFJGDFZMM-HNNXBMFYSA-N 311.389 1.679 0 40 DDAB C[C@](O)(CNC[C@H]1CCCN1c1cccnn1)c1ccccc1 71859929 SATDXCPSXXKDKA-AEFFLSMTSA-N 312.417 1.943 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c[nH]1 19993647 RSQOIVGTROHNOX-UHFFFAOYSA-N 302.258 1.792 0 40 DDAB CC(C)CCc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2)cc1 71909478 KCAXUWGPXWDSBI-AWEZNQCLSA-N 324.446 1.832 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](n2cncn2)C1 75583664 NRRDJMUUEBKHIC-CYBMUJFWSA-N 303.366 1.679 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 72235504 LDZYPBGDRBLPSA-BXUZGUMPSA-N 302.382 1.516 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 72272374 VVNMTPOUNIIPKD-GWCFXTLKSA-N 303.366 1.850 0 40 DDAB COc1ccc(COCC(=O)N[C@H]2CCc3nccn3C2)cc1 72278660 IUOJUGRXNHWUGJ-AWEZNQCLSA-N 315.373 1.540 0 40 DDAB O=C(O)C[C@@H](NC(=O)COCC(F)(F)F)c1ccccc1 72281683 LNRUXGKGTHXWGW-SNVBAGLBSA-N 305.252 1.898 0 40 DDAB COc1ccnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 84240418 QJZNKTNUECPZSN-NSHDSACASA-N 308.382 1.979 0 40 DDAB Cc1nc(NC(=O)[C@H](C)N2CCn3ccnc3C2)sc1C 97201073 YFGRVMUMWKHPAP-JTQLQIEISA-N 305.407 1.799 0 40 DDAB COC(=O)CCN(C(=O)c1cnccn1)c1cccc(F)c1 76023088 VLVIXAMSMJJNSY-UHFFFAOYSA-N 303.293 1.826 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nnc(C2CC2)n1C 95430724 SGVXJGCZJBPTRU-QMMMGPOBSA-N 319.331 1.191 0 40 DDAB Cc1cc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)o3)C2)no1 95402400 LRRMJWPYDJAWOJ-AWEZNQCLSA-N 317.393 1.950 0 40 DDAB C[C@@H](CNC(=O)C(C)(C)c1cccnc1)CN1CCOCC1 95456907 RIMOLIWEYCOHJD-AWEZNQCLSA-N 305.422 1.444 0 40 DDAB C[C@](O)(CNC(=O)NCCn1cccc1)c1ccc(F)cc1 95442753 VZOQLBAPRZYLAH-INIZCTEOSA-N 305.353 1.834 0 40 DDAB Cc1cc(Br)cnc1N(C)CCNS(C)(=O)=O 95412051 CCLLMBUUMLKUDJ-UHFFFAOYSA-N 322.228 1.138 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 78788725 NNERSDHJCBFFGV-IAGOWNOFSA-N 302.418 1.920 0 40 DDAB Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)C(C)C)c2)n[nH]1 78824550 AQZPOSUWWMFCAC-JTQLQIEISA-N 315.377 1.879 0 40 DDAB Cc1c(O)cccc1C(=O)N[C@H](C)C(=O)NCc1ccco1 95978401 RLDVDIYBQUBCPA-LLVKDONJSA-N 302.330 1.728 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1sccc1C 79019012 LZZQDSXNVOHPRA-SNVBAGLBSA-N 302.421 1.210 0 40 DDAB Cc1nc(CN2CCN(C(=O)Nc3cccnn3)CC2)oc1C 95981897 QSAQJIKQTHOXEQ-UHFFFAOYSA-N 316.365 1.431 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H]1CCCC[C@H]1O 88622553 AQIJALHRDWULMA-HUUCEWRRSA-N 315.377 1.370 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 74675583 PLNMQQPALZFNJL-SWLSCSKDSA-N 321.469 1.704 0 40 DDAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1=O 74706411 IPUBXEHRUARNKM-UHFFFAOYSA-N 311.385 1.343 0 40 DDAB CN(CCN1CCOCC1)C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 89346221 VFPLBHFGMIJKTK-HZPDHXFCSA-N 321.396 1.655 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1ncnn1C 89420199 WNVFRXRHLQBBQR-CYBMUJFWSA-N 313.405 1.220 0 40 DDAB O=C(NCCCNc1ccccn1)c1cccc(-n2cnnn2)c1 75141776 BKMGGLIYHYUJNX-UHFFFAOYSA-N 323.360 1.289 0 40 DDAB Cn1cc(C(=O)N2CCC[C@@H](c3ccnc4nccn34)C2)cn1 72368551 KEIXEXTXLHFESQ-GFCCVEGCSA-N 310.361 1.483 0 40 DDAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(F)cc1F 38717907 JQKPQDOJWXXXJO-UHFFFAOYSA-N 300.305 1.835 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCOCC2)c1 34888877 ZOIQNNDXXUQYEQ-OAHLLOKOSA-N 306.406 1.601 0 40 DDAB Cc1cc(C(=O)NCCn2cccn2)nc(N2CCCC2)n1 72241120 JXNNWAXOOBGXFO-UHFFFAOYSA-N 300.366 1.012 0 40 DDAB CCOC(=O)COc1cc(Br)c(CO)cc1OC 34772849 VJFVQBCAKAGFCY-UHFFFAOYSA-N 319.151 1.892 0 40 DDAB CC(C)c1cc(N2CC[C@@]3(CCN(C)C3)C2)n2ncnc2n1 567540116 NXCAYKOAMLGDEA-MRXNPFEDSA-N 300.410 1.780 0 40 DDAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@H]3C)cc1 72342366 WDVCLIGPMRGZCA-JTQLQIEISA-N 315.329 1.482 0 40 DDAB CC[C@]1(C)CN(C(=O)NCCc2nc(C(C)C)no2)CCO1 188034764 MZHSIMKQKUFWJL-OAHLLOKOSA-N 310.398 1.946 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc21 226860503 RTIKFDUVSVQFDH-UHFFFAOYSA-N 316.338 1.049 0 40 DDAB COc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 238933860 VHXDMZRJTKKYGW-KBMXLJTQSA-N 305.374 1.690 0 40 DDAB CCn1cc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)cn1 569656071 DSWIHFGGLMMWLG-CYBMUJFWSA-N 323.374 1.050 0 40 DDAB CN(Cc1cccnc1)Cc1nc(C2(O)CCNCC2)cs1 225476656 QKMHFIHZICPGSU-UHFFFAOYSA-N 318.446 1.741 0 40 DDAB biogenic,in-vitro Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)nc2ccccc12 195567969 ASBSTRALXTZEEU-LLVKDONJSA-N 310.361 1.932 0 40 DDAB COCCNC(=O)NCC1CCN(C(=O)c2ccoc2)CC1 75156994 DQXDPHKOEHMQIV-UHFFFAOYSA-N 309.366 1.077 0 40 DDAB COc1cccc(C2(F)CCN(Cc3nnn(C)n3)CC2)c1 572923447 GQAQGWOISHBTBA-UHFFFAOYSA-N 305.357 1.680 0 40 DDAB CC(C)[C@@H](C(=O)NC[C@](C)(O)c1cnn(C)c1)N1CCCCC1 96450401 TWGUULUSSRAFST-RDJZCZTQSA-N 322.453 1.254 0 40 DDAB COc1cc(=O)n(CC(=O)NCC(C)C)nc1-c1ccccc1 96184166 CFBPIDGDFJYBCJ-UHFFFAOYSA-N 315.373 1.691 0 40 DDAB Cc1ccc(CN2CCN3C[C@H](C(=O)O)CN(C)C[C@@H]3C2)cc1 96184902 GJBBABZNKMXDKN-IAGOWNOFSA-N 317.433 1.127 0 40 DDAB COCC(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040456 ZWQZMFYEXQAJCZ-RHSMWYFYSA-N 320.389 1.505 0 40 DDAB COC[C@H](O)CNC(=O)Nc1ccc(C)c(Br)c1 96410602 XEKJNQZUKSIODF-SNVBAGLBSA-N 317.183 1.886 0 40 DDAB CNC(=O)[C@H]1CCCN1Cc1c(C2CC2)nc2sccn12 97230871 RXGPUNBDCMBUBG-LLVKDONJSA-N 304.419 1.984 0 40 DDAB O=C(c1ccc[nH]1)N1CCn2cc(CN3CCCCC3)nc2C1 96067973 ISEKSGILCMXRQT-UHFFFAOYSA-N 313.405 1.853 0 40 DDAB CCc1nnc(S[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1C 96424907 PFXPBIKGFBAAHB-LLVKDONJSA-N 320.422 1.399 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCOC[C@@H]1CCCO1)C2 97198899 AYDSJERCHJHXFF-KBPBESRZSA-N 307.394 1.208 0 40 DDAB Cn1cc(-c2csc(CC(=O)NCc3ccco3)n2)cn1 96421298 SMOKPJLPDPEWKF-UHFFFAOYSA-N 302.359 1.996 0 40 DDAB Cc1noc(C)c1CN1CC[C@H](N2CCOCC2)C[C@@H]1C(=O)O 96092619 QDRVHOXUNOEZEE-DZGCQCFKSA-N 323.393 1.041 0 40 DDAB COCC(=O)N1CC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 96050935 DHWNVUGLOBCHRB-OAHLLOKOSA-N 323.418 1.049 0 40 DDAB O=C(CC1CCN(CCN2CCCCC2)CC1)N1CCOCC1 95400250 LEXKWXLXAOUFCR-UHFFFAOYSA-N 323.481 1.433 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)[C@H](N)Cc3cnc[nH]3)ccc12 98092034 YSUYDFDITKBMJW-CYBMUJFWSA-N 312.329 1.333 0 40 DDAB O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccccc1)C2 96064856 PJRZSEXRPPSHRR-SJLPKXTDSA-N 300.402 1.946 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@H](C)Cn1cncn1 96484423 UZKOKQGLMKYWAU-LLVKDONJSA-N 319.413 1.024 0 40 DDAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96222136 UWNKTXHERQMJBL-XJKSGUPXSA-N 305.378 1.524 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(S(=O)(=O)c3ccccc3)[C@@H]2C1 96109399 XOYWVNVPSKPZDI-XHSDSOJGSA-N 324.446 1.416 0 40 DDAB Nc1c(O)nn(-c2ccc(Br)cc2)c(=O)c1Cl 242592402 OSSYCWLUVVFNJM-UHFFFAOYSA-N 316.542 1.936 0 40 DDAB COCC(=O)NCC[C@@H]1CN(C2CCCC2)Cc2ccnn21 247824602 JBSLYMXDULGAEP-CQSZACIVSA-N 306.410 1.335 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCN3CCCCCC3)CCO2)n1 257290149 QBUGQDPBWFZZPM-OAHLLOKOSA-N 320.437 1.884 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2cc(C)on2)n1 257225790 FHVSMZNZJRDLJN-MRXNPFEDSA-N 315.377 1.746 0 40 DDAB CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@@H](O)C2CCCCC2)C1 252536497 ISDITTIMAWELCX-HUUCEWRRSA-N 318.483 1.330 0 40 DDAB Cc1cc(C)nc([C@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257273649 NHOZPJGHOWBCEO-CQSZACIVSA-N 304.394 1.089 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2ccccn2)n1 257219298 DGIOQGPOUDNBTN-KRWDZBQOSA-N 311.389 1.845 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCc2cccnc2)c1 257239381 HPBCFVKUDDATBB-UHFFFAOYSA-N 307.357 1.656 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2nccnc2-c2cncs2)C1 257266807 MEPGENJGUDDLIM-JTQLQIEISA-N 324.431 1.424 0 40 DDAB CCn1cc(C(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)cn1 257300161 RTDZSCATJTULRV-CYBMUJFWSA-N 303.366 1.159 0 40 DDAB CN(c1ccncn1)C1CC2(CCN(C(=O)c3ccncn3)C2)C1 257232282 GKEIXFIGBKGRQK-UHFFFAOYSA-N 324.388 1.398 0 40 DDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)CCn2ccc(C)n2)[C@H]1O 257304351 SLFZNPVZRUEXJP-IIAWOOMASA-N 309.410 1.359 0 40 DDAB C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H](C)Cc1cccc(F)c1 253369459 CUTMREDOLHKNNQ-DVOMOZLQSA-N 324.396 1.938 0 40 DDAB O=C(Nc1ccc2ncccc2c1)N[C@@H]1C=CS(=O)(=O)C1 575424850 PDSCHGCHLFMSPN-GFCCVEGCSA-N 303.343 1.667 0 40 DDAB C[C@H]1CN(C(=O)NCCc2ccco2)CC2(CCOCC2)O1 581468827 PZGYQWMVRHXKND-ZDUSSCGKSA-N 308.378 1.802 0 40 DDAB O=C1CCCN1CCCC(=O)N1CCO[C@H](c2ccncc2)C1 585180252 ZFILHIXWSRGGFF-HNNXBMFYSA-N 317.389 1.384 0 40 DDAB CC[C@](C)(O)Cc1cn([C@H](Cc2ccccc2)C(=O)OC)nn1 585141678 FCFFIYFQVKAYCC-WBVHZDCISA-N 317.389 1.938 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C 585096304 HFEPMLVGKPBNNC-GFCCVEGCSA-N 318.421 1.511 0 40 DDAB Cc1[nH]c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2c1C 44719227 ZOWFWBAIEMDFAY-GFCCVEGCSA-N 320.414 1.949 0 40 DDAB COCCNC(=O)NCc1cccc(N2CCCCC2=O)c1 55087512 XLPNMQVRJPZTIV-UHFFFAOYSA-N 305.378 1.649 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)CCc1cc(F)ccc1F 69743972 IIOBLWXSFWQFJN-OAHLLOKOSA-N 310.344 1.880 0 40 DDAB COCCN1CCN(Cc2nc3ccccc3n2C)C[C@@H]1C 69706967 VUHNZRALCQVLSU-AWEZNQCLSA-N 302.422 1.726 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCC[C@@H]1Cn1cccn1 69967262 WXRGAXMLEGMEST-LLVKDONJSA-N 305.300 1.843 0 40 DDAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 72272373 VVNMTPOUNIIPKD-MFKMUULPSA-N 303.366 1.850 0 40 DDAB CCS(=O)(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165393 NUSGVYUKWDTXIZ-UHFFFAOYSA-N 313.301 1.618 0 40 DDAB CC(C)(C)OC(=O)N1CCN(CCNCc2ccccn2)CC1 78552836 NRGCDYWZRQTYDI-UHFFFAOYSA-N 320.437 1.724 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@H](CF)C1 882630039 SGRKFQSNCUVGLV-LLVKDONJSA-N 315.366 1.828 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC(C)C)n2)s1 12181543 WIRSFKQSSYVJDV-UHFFFAOYSA-N 306.391 1.387 0 40 DDAB COC(=O)CCN(Cc1ccc(OC)cc1)C(=O)CC(=O)OC 166370269 BVELNNCEMNILTG-UHFFFAOYSA-N 323.345 1.150 0 40 DDAB Cn1nc2c(c1CNC(=O)c1noc3c1CCCC3)CCC2 225818261 BCSNQWODUVGTJJ-UHFFFAOYSA-N 300.362 1.706 0 40 DDAB O=C(CN1CCCCCC1=O)NCCc1cn2ccccc2n1 23464602 VWXRTBVLSUFLTO-UHFFFAOYSA-N 314.389 1.396 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCO1)c1cccc(F)c1 29080139 LLEHVEHOIQBOGD-KGLIPLIRSA-N 303.337 1.944 0 40 DDAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC(n2nccn2)C1 888106946 HBSJIAATJHHQFX-UHFFFAOYSA-N 312.251 1.874 0 40 DDAB Cn1cccc(C(=O)N[C@H](Cn2nccn2)c2ccccc2)c1=O 238945743 WKNGMBTTYFCQOD-OAHLLOKOSA-N 323.356 1.148 0 40 DDAB O=C1NC2(CCCCC2)C(=O)N1Cc1cn(CC2CCC2)nn1 2086918819 NSABCDZAAJZGNW-UHFFFAOYSA-N 317.393 1.833 0 40 DDAB COC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 4853694 OUFDZLTUCZBFMK-UHFFFAOYSA-N 304.324 1.202 0 40 DDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NC(C)C)cc21 5252471 JHEFYAZSAZYFEV-UHFFFAOYSA-N 303.362 1.449 0 40 DDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C(C)C)CN3)cc1C 19939172 XAGKYOQSWVOTJC-UHFFFAOYSA-N 314.389 1.736 0 40 DDAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCOC1 618255786 IXRLUDUDKWNHQR-CQSZACIVSA-N 317.307 1.906 0 40 DDAB COc1cccc(N2CCN(c3ncnc4ncccc34)CC2)n1 2298080208 ZJLLAHJLNDYFBD-UHFFFAOYSA-N 322.372 1.755 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2ccco2)cc1 77111665 WBTSFHVCJUBADL-CQSZACIVSA-N 323.370 1.884 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCOCC3)C2)n(C(C)C)n1 2332241603 MROXQHVOKYEWPC-NUEKZKHPSA-N 322.453 1.933 0 40 DDAB NC(=O)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 40139298 KRXOVKXDXWRMNA-UHFFFAOYSA-N 318.345 1.385 0 40 DDAB CNC(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 40497387 SCHHYRSRDAEWHR-NSHDSACASA-N 316.361 1.711 0 40 DDAB Cn1cnnc1CNC(=O)COc1ccc(C(C)(C)C)cc1 40497635 ZXNHMJKNBSLKRM-UHFFFAOYSA-N 302.378 1.808 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccc(F)c1 40480274 HUUJHVHXBMYQKP-SECBINFHSA-N 319.336 1.321 0 40 DDAB CCc1c(C(=O)NC[C@@H]2CCCO2)cnn1-c1ccccn1 31810914 UIXMRTVPONDFPZ-LBPRGKRZSA-N 300.362 1.739 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 214730 DZWMBXNPBAFQCI-RFGFWPKPSA-N 321.329 1.521 0 40 DDAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNCCO)C(=O)CCC1 2502464 BGCMDTGXQZMFEJ-ZDUSSCGKSA-N 316.401 1.412 0 40 DDAB Cc1cc2ncn(C[C@H](O)CN3C(=O)C[C@H](C)C3=O)c2cc1C 101456361 GZRQXHHARSAGGN-STQMWFEESA-N 315.373 1.409 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(C[C@@H]3CCOC3)C2)C1=O 89869726 GGWADVBAWNTOCG-JJRVBVJISA-N 323.437 1.454 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)c2ccccc2)n1 6636097 DDHZGQAUZLGBPN-UHFFFAOYSA-N 304.379 1.600 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 101758830 OLHMEUBJVMFKGS-FIQHERPVSA-N 320.732 1.147 0 40 DDAB Cc1cc(C(=O)OCCc2c(C)[nH]c3ncnn3c2=O)c(C)o1 102153875 YRWCXGIFFFEJGI-UHFFFAOYSA-N 316.317 1.335 0 40 DDAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(C[C@@H](C)O)CC1 69655671 DULITBHIBCMCMA-NEPJUHHUSA-N 322.434 1.858 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(-n2cnnn2)cc1 2645392 RNGQTYKJQTYVLO-WFASDCNBSA-N 315.377 1.736 0 40 DDAB CN(CC(N)=O)C(=O)COc1ccc2oc3ccccc3c2c1 60738865 CPRSXXDPMJFHJT-UHFFFAOYSA-N 312.325 1.909 0 40 DDAB COc1cccc(C(=O)NCc2ccc(N(C)C)nc2)c1O 32914498 QABUGYVFAWUANA-UHFFFAOYSA-N 301.346 1.792 0 40 DDAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1CCCC1 526730 PABQJYOEGXMWLU-UHFFFAOYSA-N 301.350 1.748 0 40 DDAB COc1cccc(OCc2nc3c4cnn(C)c4ncn3n2)c1 537384 YSMSKEANBNMRLD-UHFFFAOYSA-N 310.317 1.599 0 40 DDAB O=C(NCN1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 55175227 YKKSBMWONAQMKO-UHFFFAOYSA-N 310.781 1.866 0 40 DDAB O=C(O)CCCn1nnnc1CN1CCc2ccccc2C1 12377442 MFWMYRZMSDMTDG-UHFFFAOYSA-N 301.350 1.096 0 40 DDAB O=C1[C@H]2CCC3(C[C@H]2C(=O)N1Cc1ccccc1)OCCO3 101113553 ANYOKHUCYYVPQO-UONOGXRCSA-N 301.342 1.715 0 40 DDAB OCCOc1ccccc1CN1CCC[C@@H](N2CCOCC2)C1 22920092 IBIUSBMCFMPIOP-QGZVFWFLSA-N 320.433 1.354 0 40 DDAB CCN1CC2(CCN(C(=O)c3cnccc3C)CC2)CC1=O 108528967 XDTWQENSDDLXMT-UHFFFAOYSA-N 301.390 1.865 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 23390252 BTCUOGZIKHGCCM-NSHDSACASA-N 319.386 1.528 0 40 DDAB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC2CC2)cc1 7989056 DJHBZFBRCHNQJD-AWEZNQCLSA-N 322.430 1.825 0 40 DDAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 101508952 FMHZTEAQMFBNSQ-GOEBONIOSA-N 322.320 1.988 0 40 DDAB COc1cc(C)c(CNC[C@H]2CN3CCC[C@H]3CO2)cc1OC 110670905 SYBVRPFPGGRYMH-HOTGVXAUSA-N 320.433 1.965 0 40 DDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCO[C@H]2CCC[C@H]21 56198013 XBXXMLAHTCKGDY-CVEARBPZSA-N 312.369 1.851 0 40 DDAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccccn2)c1 3246605 PBJICEBUYXQQNL-UHFFFAOYSA-N 316.313 1.894 0 40 DDAB CN(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)CN(C)C1=O 57766789 YNYROSYSOLCUNZ-UHFFFAOYSA-N 321.352 1.458 0 40 DDAB Cc1cc(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)on1 57923113 XPFISLKOTQSYEI-UHFFFAOYSA-N 320.326 1.568 0 40 DDAB Cc1noc(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)n1 58192878 TUMNNBOTHRDGMP-AWEZNQCLSA-N 304.281 1.484 0 40 DDAB CC(C)c1nc(CC(=O)N[C@H](C)CN2CCOCC2)cs1 44940571 GOKJTQXSTMXAAP-GFCCVEGCSA-N 311.451 1.646 0 40 DDAB COc1ncccc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 44954467 BEQWVPUTIRJNMI-NSHDSACASA-N 315.329 1.670 0 40 DDAB Cc1cc2n(n1)C[C@H](CNC[C@H](O)c1cccc(F)c1)CN2 58342002 PESZGRSWFBUAAL-DOMZBBRYSA-N 304.369 1.696 0 40 DDAB COc1c(CNCC(=O)N(C)Cc2ccccc2)c(C)nn1C 58328410 ZOWYKNQGFXMHSA-UHFFFAOYSA-N 316.405 1.485 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C(N)=O)nc1 58411639 JHEUABKJNYMBQT-FZMZJTMJSA-N 305.378 1.506 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C(N)=O)nc1 58411637 JHEUABKJNYMBQT-RISCZKNCSA-N 305.378 1.506 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H](C)n1cccn1 28442402 XLKQMUOSCDMEGP-NSHDSACASA-N 307.375 1.795 0 40 DDAB COc1ccc(OCCN2CCN(c3ncccn3)CC2)cc1 48333486 FGLHNKDGOVMRAE-UHFFFAOYSA-N 314.389 1.686 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 12814274 OGDAFYAERBZIKE-UHFFFAOYSA-N 311.403 1.877 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(F)cc2)C1=O 8184070 IJXZFKNAPDWTHL-VFZGTOFNSA-N 323.324 1.345 0 40 DDAB COC(=O)C[C@H](NC(=O)CCn1ccnc1)c1ccccc1 69818853 FJBCVQCKXSPRKA-AWEZNQCLSA-N 301.346 1.694 0 40 DDAB NS(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1Cl 6024096 DYICAFXJIYAMBU-UHFFFAOYSA-N 311.750 1.635 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1csc(C3CC3)n1)C2 69461884 WYSOMEVDQDBSDY-UHFFFAOYSA-N 303.391 1.830 0 40 DDAB CNC(=O)CN(CCO)Cc1cc(Br)ccc1F 69492420 JCVBJQOMMXGTRW-UHFFFAOYSA-N 319.174 1.129 0 40 DDAB NC(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814388 MXRXJJXKNBHVRJ-UHFFFAOYSA-N 301.224 1.312 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCCCN1CCCCCC1=O 65449389 WFKQIARJLYDPON-CQSZACIVSA-N 321.425 1.364 0 40 DDAB COc1ccc(CNCc2nnc3n2CCCC3)c(OC)c1 65543149 OFSXPTFBDZUFLR-UHFFFAOYSA-N 302.378 1.921 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccccc1CN(C)C 14159286 YLOCRKCKJONEDO-UHFFFAOYSA-N 323.418 1.832 0 40 DDAB COc1cc(OC)c(NCC(=O)N2CCNC2=O)cc1Cl 14137465 TZLOSRAWCHOWGZ-UHFFFAOYSA-N 313.741 1.321 0 40 DDAB COCCNC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 4504737 WOQIMGNZNOJZIS-NSHDSACASA-N 300.717 1.735 0 40 DDAB Cc1cc(Nc2ccc3nnnn3n2)ccc1N1CCCC1=O 14320753 KQXCLOHIWREATG-UHFFFAOYSA-N 309.333 1.698 0 40 DDAB CCCn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4679166 SYRFPSHSXZABGR-UHFFFAOYSA-N 314.345 1.636 0 40 DDAB CN1C[C@H](NC(=O)c2ccc(Br)cc2O)CC1=O 69533715 MAKYXHOOFIZQDQ-MRVPVSSYSA-N 313.151 1.115 0 40 DDAB CCN(CC)CCNS(=O)(=O)c1ccc(F)c(F)c1F 6638995 QIYKVOFEHGWOSQ-UHFFFAOYSA-N 310.341 1.724 0 40 DDAB O=C(CN1CCSC1=O)NCCCOc1ccccc1F 14701697 FMSRDVNMABIXSK-UHFFFAOYSA-N 312.366 1.880 0 40 DDAB COc1ccccc1CC(=O)N1CCN(c2ncccn2)CC1 6762531 CEECZXCYTRTQQF-UHFFFAOYSA-N 312.373 1.377 0 40 DDAB CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CNCCO1 5863067 HQOQHUQAQLNFOP-SECBINFHSA-N 313.785 1.039 0 40 DDAB in-vitro CC[C@](C)(O)C(=O)N[C@H]1CCCN1C(=O)/C=C/c1ccccc1 5923638 ZSSIVXBCHJDPDR-IHUUNXMQSA-N 316.401 1.926 0 40 DDAB biogenic,in-vitro Cc1c(Br)cccc1CS(=O)(=O)C[C@H](O)CO 90085240 OUAQDQKFHIXCDJ-SNVBAGLBSA-N 323.208 1.026 0 40 DDAB COCCCNC(=O)CSc1nnc(-c2ccoc2C)n1C 7236469 AFXZFPTXEKMGBJ-UHFFFAOYSA-N 324.406 1.628 0 40 DDAB O[C@H](CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 19403899 ZNBHOYMWWOCGJP-OAHLLOKOSA-N 302.353 1.471 0 40 DDAB C[C@H](CO)CNS(=O)(=O)c1cc(Cl)sc1Cl 83220173 MIYIDGHAODBHOS-YFKPBYRVSA-N 304.220 1.962 0 40 DDAB COc1ccc([C@H](O)CNC(=O)N[C@H](C)Cn2cccn2)cc1 89904372 ARUILTSVCNZIIX-IUODEOHRSA-N 318.377 1.313 0 40 DDAB COc1cccc(/C=C/C(=O)N2CCN(C)C[C@H]2C)c1OC 89937746 USBUQJRYFSBBHD-MMQHEFTJSA-N 304.390 1.880 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1nnnn1-c1ccccc1 9341896 YWUIBORJCUFYOF-UHFFFAOYSA-N 305.297 1.459 0 40 DDAB Cc1noc([C@H](C)N2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 76059050 OVLLJSFBLZOWHT-CCUNJIBTSA-N 321.381 1.091 0 40 DDAB CCc1nc(C)ncc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76054697 QKMZLACTHMDIKM-MLGOLLRUSA-N 318.421 1.140 0 40 DDAB Cc1ncsc1CCN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O 84065687 BCYPAJQYQCQMBY-HNNXBMFYSA-N 322.434 1.399 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)on1 76052606 YTESQHSSUQFDGD-TZMCWYRMSA-N 307.394 1.591 0 40 DDAB COc1cc(CNC(=O)C[C@H]2C=CCC2)ccc1OCC(N)=O 71815170 XVUPYAOXDGEXHQ-LBPRGKRZSA-N 318.373 1.532 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccn1 71856600 WXJSTLUCBYCCHE-MJBXVCDLSA-N 304.394 1.305 0 40 DDAB CC[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1 71829336 UAIWTUOSEPMYGK-OAHLLOKOSA-N 303.406 1.200 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)NCC[S@@](=O)c2ccccc2)n1 71896455 SVWPPRYDPLOZJD-FPTDNZKUSA-N 319.430 1.985 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 76049141 NTUMYTWLKHRVGV-NSHDSACASA-N 318.381 1.591 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)NCCCc1ccccc1 72283966 MRECTRBTIWOYPU-UHFFFAOYSA-N 312.435 1.407 0 40 DDAB Cc1ccc(F)cc1C(=O)NCCNC(=O)c1ccc(O)cc1 71961879 YXOUYFIYCMDGHA-UHFFFAOYSA-N 316.332 2.000 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)CN1CCc2cncnc2C1 72253896 GLTCTWMAHLFFDT-KRWDZBQOSA-N 312.417 1.328 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)C2 72292645 IRGLTJFFHZKRSA-DZGCQCFKSA-N 315.348 1.765 0 40 DDAB Cc1cnn(C2CN(CC(=O)N3CCC(c4ccccc4)=N3)C2)c1 72253843 ZRBXKUDIMPIURN-UHFFFAOYSA-N 323.400 1.685 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)NC[C@H]1CCOC1)C2 72254809 NIJLKSHESZUSDS-YPMHNXCESA-N 306.362 1.334 0 40 DDAB C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCS(=O)(=O)N(C)C 97047638 HEAIQKUGSJRCME-LRDDRELGSA-N 324.446 1.708 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)c1ccc(-n2ccnc2)cc1 97107117 JHJQFNORZCMUDL-CQSZACIVSA-N 315.373 1.750 0 40 DDAB O=C(CCc1ccncc1)N1CCOCC2(CCOCC2)C1 97108160 NUKNAESITFMSGW-UHFFFAOYSA-N 304.390 1.670 0 40 DDAB O=C(CN1CCO[C@H](c2nccs2)C1)Nc1nncs1 97199950 RZLPGPWDSWVABQ-QMMMGPOBSA-N 311.392 1.007 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)CCC2)NC[C@H]1CCC[C@H]1O 84452017 RVWWKPGQLKJWRU-HZPDHXFCSA-N 316.401 1.182 0 40 DDAB CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCn2cccc2)C1 84440326 AZQNPZDHTDWWCU-HUUCEWRRSA-N 320.437 1.871 0 40 DDAB COCCOc1c(Cl)cccc1NC(=O)N(C)CCO 97597985 INAICCOWLHGAQY-UHFFFAOYSA-N 302.758 1.821 0 40 DDAB CC(C)C[C@H]1COCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C 72887284 RWEHMOWOEITBMA-ZDUSSCGKSA-N 317.389 1.754 0 40 DDAB CCCNC(=O)C1CCN(C(=O)c2ccc(O)cc2F)CC1 95465600 HLQOTAYUWHWGBV-UHFFFAOYSA-N 308.353 1.910 0 40 DDAB COCCNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 95460996 XPWVVHMANKIVMN-GFCCVEGCSA-N 307.398 1.497 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1 88059560 PBUBWUQJLLNRRY-MRVPVSSYSA-N 309.218 1.976 0 40 DDAB CCOc1ccc(CNC(=O)[C@H]2CN(CC)CCO2)cc1C 73560144 WMPHTJBZZWHTOE-MRXNPFEDSA-N 306.406 1.731 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(C(N)=O)nc2)on1 95956360 ZOYWUVFRFKBEDF-GFCCVEGCSA-N 300.318 1.454 0 40 DDAB Cc1noc(CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 95988908 BPGXSCUYJKGJPX-CQSZACIVSA-N 316.361 1.531 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccccn1 95964227 QBVCOGLANZUGLE-KRWDZBQOSA-N 309.369 1.671 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](O)c1ccccc1F 89512242 KUJQRFPHDRDBDG-CQSZACIVSA-N 321.352 1.405 0 40 DDAB CN(C(=O)Nc1cn[nH]c1)[C@@H]1CCN(c2ccccc2F)C1=O 75137578 AOOIWVXKMUOPRV-CYBMUJFWSA-N 317.324 1.818 0 40 DDAB CCO[C@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1 75123524 FMYOSCNRXDBBCF-ZDUSSCGKSA-N 307.394 1.702 0 40 DDAB O=C(O)c1nn(CC(F)(F)F)cc1I 408715114 UFLSJMPKEHMZKC-UHFFFAOYSA-N 320.008 1.748 0 40 DDAB CCn1nncc1CNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1 528059408 CRFXSBHUKBPMDY-JURCDPSOSA-N 301.394 1.652 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)cc1 72595197 COOKUPIRLZVSGB-UHFFFAOYSA-N 311.341 1.688 0 40 DDAB COC(=O)c1cn[nH]c1NC(=O)Cc1ccccc1C(=O)O 71280573 GOUIQXNPLAMBPT-UHFFFAOYSA-N 303.274 1.076 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCC[C@H](O)C1CCOCC1 217916337 ZHYNIKWOUOUBIQ-BBRMVZONSA-N 307.390 1.748 0 40 DDAB O=C(NC[C@]1(O)CCCc2occc21)c1ccc2c(c1)OCO2 1565523194 ISXBUQOLWUBLRC-QGZVFWFLSA-N 315.325 1.962 0 40 DDAB Cc1ccc(NCCNC(=O)c2cc(CC(C)C)n[nH]2)nn1 79046552 ZNAVKDMEUSUVIZ-UHFFFAOYSA-N 302.382 1.549 0 40 DDAB CCOC(=O)c1cccc(N2C[C@@H](C(=O)OCC)CC2=O)c1 45953153 YLHLJCNTMJCKEH-LBPRGKRZSA-N 305.330 1.779 0 40 DDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cnn(-c3ccccn3)c2)C1 72238986 YNIINYPLHQYTAM-STQMWFEESA-N 320.418 1.934 0 40 DDAB CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)Cn2cnnn2)n1 46087518 QRJGHWHWCMAFBC-QWRGUYRKSA-N 319.369 1.323 0 40 DDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 229852988 KAXCZSAKZGTKSB-KNPMLCFXSA-N 319.744 1.535 0 40 DDAB COc1ccc2cc(C(=O)N[C@H]3C[C@@H](CO)[C@H](O)C3)[nH]c2c1 85469418 XICDKRNFKQVDSP-ZIBATOQPSA-N 304.346 1.038 0 40 DDAB COc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1OC 224192220 UWOYSCOEJYNEON-UHFFFAOYSA-N 316.361 1.490 0 40 DDAB C[C@@H]1CN(C(=O)N=c2nc3ccccn3[nH]2)CC2(CCC2)O1 570512782 QTSROPPMBOWWGQ-LLVKDONJSA-N 301.350 1.327 0 40 DDAB Cc1ncc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 82311559 FZHSXHLVSXYQJS-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB O=C(NCCCn1ccnc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 222420875 YQFSMMHEUONBBL-RFQIPJPRSA-N 303.362 1.302 0 40 DDAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223603929 BJCOPMOYNQYJTQ-KGLIPLIRSA-N 302.403 1.765 0 40 DDAB C[C@H]1CN(CCCCNC(=O)[C@H]2C[C@@H]3CC[C@@H]2O3)C[C@@H](C)O1 195537293 KNZGEPYVGSFWQC-QRJUGERDSA-N 310.438 1.560 0 40 DDAB CN(C)CCN1CC[C@]2(CCCN(C(=O)c3ccc[nH]3)C2)C1=O 96223898 HDLQQQAIRDBOOY-KRWDZBQOSA-N 318.421 1.031 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1cccs1)OCC2 96044318 IVEUTRHRZBHTIJ-LBPRGKRZSA-N 321.402 1.635 0 40 DDAB COCCN1CCOC[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 96228778 CTSDCDWJFVODGZ-QGZVFWFLSA-N 322.405 1.481 0 40 DDAB CN(C)CC(=O)N1CCC[C@@]2(C[C@@H](Nc3nccs3)CO2)C1 96223360 ONKVVPYWBAMIQD-IUODEOHRSA-N 324.450 1.267 0 40 DDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1C(=O)c1ccsc1 96198727 IAUNYGXXCPTFJS-QWHCGFSZSA-N 324.402 1.138 0 40 DDAB CN(C)C(=O)CN1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 96224585 KZEYENFRGHVXKB-MRXNPFEDSA-N 321.446 1.655 0 40 DDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 96185603 WCHZBRRZRGOZTR-YCPHGPKFSA-N 317.462 1.934 0 40 DDAB COCc1ccc(C(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1 97198853 VELMAGSOGQRGNV-CQSZACIVSA-N 300.362 1.478 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)NC[C@@](C)(O)c1cnn(C)c1 96450410 KYBJSRYUOVDOBA-QGZVFWFLSA-N 312.373 1.847 0 40 DDAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)Cc1ccccc1F)C2 96214964 RBEGWCGJWYGPPJ-CRAIPNDOSA-N 320.408 1.795 0 40 DDAB COC(=O)c1ncn(CC(=O)c2cccc(F)c2)c1C(=O)OC 98211165 NAZLWTBMVWAZKT-UHFFFAOYSA-N 320.276 1.478 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccnc(N(C)C)c1 96425501 GPFGYZLSLCRHGE-NSHDSACASA-N 315.421 1.859 0 40 DDAB CCc1cnc(N2CC[C@@H]3CN(CC4CC4)CCO[C@H]3C2)nc1 253606239 AVWUFWAQKFEDGI-SJORKVTESA-N 316.449 1.976 0 40 DDAB Cc1cnc([C@H]2CCCN(C(=O)c3cnc(O)nc3O)C2)s1 257244875 INEGUMRHXQDJAN-VIFPVBQESA-N 320.374 1.673 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)C2CCOCC2)cc1 257312184 UMUCBWNZCLRZQH-INIZCTEOSA-N 304.390 1.595 0 40 DDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CC1 257271343 MXXWGMPBAYOSPI-MRXNPFEDSA-N 302.378 1.183 0 40 DDAB Nc1nc(N2CCO[C@H]3CCCC[C@H]32)cc(-n2cccn2)n1 253370949 YQXVRZSKWOHCTC-NEPJUHHUSA-N 300.366 1.392 0 40 DDAB Cc1cc2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)ccn2n1 257303667 SIDQNGMLHJWOIQ-UHFFFAOYSA-N 324.388 1.791 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)cc(O)n1 262759287 KFWGDKJJYMUCCV-UHFFFAOYSA-N 322.361 1.037 0 40 DDAB O[C@H](CN1CCN(Cc2ccccn2)CC1)c1cccs1 85436954 MFTZKYOFFCGYFF-OAHLLOKOSA-N 303.431 1.994 0 40 DDAB CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)NC2CC2)cc1 585141188 QTLQHIACUIKBAM-QFIPXVFZSA-N 324.406 1.685 0 40 DDAB CN1C[C@H](CO)CC12CN(C(=O)c1ccc3ccccc3c1)C2 585093951 RSPHFJHOGQVULN-CQSZACIVSA-N 310.397 1.978 0 40 DDAB CCCn1nccc1C(=O)N1CCC[C@H](OC)[C@@H]1CCC(N)=O 585279525 ZWNJUSKYIQYNIB-JSGCOSHPSA-N 322.409 1.178 0 40 DDAB CNC(=O)[C@@H]1COC2(CN(CC3CCCC3)C2)CN1CC1CC1 585109156 BJHPKTXFEALZLG-INIZCTEOSA-N 321.465 1.088 0 40 DDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)N1Cc2ccccc2C1 585280463 IWZGTPWBPOGFAL-KRWDZBQOSA-N 302.374 1.292 0 40 DDAB CCOc1ccc(-c2noc(CN3CC[C@H](C(N)=O)C3)n2)cc1 48035811 YPNRSVUPKGRXDV-LBPRGKRZSA-N 316.361 1.443 0 40 DDAB CCOc1cccc(CNC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1 48377508 OLXBBHCGSYMUKX-DOMZBBRYSA-N 304.390 1.864 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)CCC(=O)c1ccccc1 58379012 JSAQSVZUPVWSKW-ZDUSSCGKSA-N 302.374 1.777 0 40 DDAB O=C1CCN(C[C@@H](O)c2ccccc2Br)CCN1 95433752 CGQYGSABIOEESV-GFCCVEGCSA-N 313.195 1.304 0 40 DDAB O=C(C1CC1)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 13265686 KMJBJYRRXMQQKC-SWLSCSKDSA-N 314.389 1.311 0 40 DDAB CNc1cc(CN(C)C(=O)C(C)(C)OC)nc([C@@H]2CCCN2)n1 19760007 OGLWLUJYNZCEKT-LBPRGKRZSA-N 321.425 1.326 0 40 DDAB Cc1ncc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)[nH]1 153576794 MKPFWQYTDXHGOB-UHFFFAOYSA-N 305.319 1.569 0 40 DDAB CC(C)OCCCNC(=O)c1c(O)nc2sccn2c1=O 10166632 WZGAWSQJKKRCCV-UHFFFAOYSA-N 311.363 1.007 0 40 DDAB CCN1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 20347352 TXGGYDDOLGANNN-MRXNPFEDSA-N 306.406 1.266 0 40 DDAB aggregator CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 79342 PUBFKRMZYRISMK-SCVCMEIPSA-N 320.242 1.636 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccsc1 8863605 VLJVRLSMNYXIBU-SNVBAGLBSA-N 308.363 1.094 0 40 DDAB O=S(=O)(NC1CCN(CCC(F)(F)F)CC1)C1CC1 2086861373 JABVWNZAYAVDKI-UHFFFAOYSA-N 300.346 1.485 0 40 DDAB Cc1ncsc1C(=O)NCCn1cnc2sccc2c1=O 225810403 NQTSWLBKQYRXOD-UHFFFAOYSA-N 320.399 1.653 0 40 DDAB CN(C)C1(CNS(=O)(=O)N2CCCCCC2)CCCC1 40090067 GJNSTIQJXDMSIZ-UHFFFAOYSA-N 303.472 1.571 0 40 DDAB C=CC(=O)OC[C@H](C)OC[C@@H](C)OC[C@H](C)OC(=O)C=C 100046428 LJRSZGKUUZPHEB-AGIUHOORSA-N 300.351 1.644 0 40 DDAB COc1ccc(C(=O)C[C@H](NCc2cccnc2)C(=O)O)cc1 49079 CISOGTUUGFWMDZ-HNNXBMFYSA-N 314.341 1.906 0 40 DDAB Cc1cnc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1 1348881 WMWOPPQSBUGQGQ-UHFFFAOYSA-N 312.358 1.975 0 40 DDAB Cc1nn(CC(=O)NC(C)C)c(C)c1I 1430673 FOSZCYOLKOKIML-UHFFFAOYSA-N 321.162 1.629 0 40 DDAB O=S1(=O)CCC[C@H]1CNCc1cnn(-c2ccccc2)c1 89857581 PIPIJICPTKXTFY-HNNXBMFYSA-N 305.403 1.539 0 40 DDAB CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)C 1647630 JRVSQBQQVQMPMO-UHFFFAOYSA-N 302.418 1.554 0 40 DDAB O=C1CNC(=O)N1CCN1C[C@@H]2CCCC[C@]21c1ccccc1 89827785 QZKJDCFNRIBIOR-YJBOKZPZSA-N 313.401 1.940 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1C 32392142 XLHXUKJDXUVDTP-INIZCTEOSA-N 318.398 1.914 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 3904562 FBZUBYSGXHVIFO-HMEQZMJYSA-N 312.369 1.965 0 40 DDAB Cn1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1=O 51908913 ZPURDBHNXMNXOM-OAHLLOKOSA-N 303.406 1.124 0 40 DDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1ccc(O)cc1 4139365 DFMMSJMUYTWZMD-CQSZACIVSA-N 315.329 1.359 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccccc1F 7137187 JYJHEUNEIGKBIR-LLVKDONJSA-N 315.300 1.862 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)cc2)C1 41126972 AAMWKDUTNIYADD-ZXCPCRMDSA-N 323.190 1.796 0 40 DDAB O=C1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CCN1 2648612 FWWVZOLWDLYECA-UHFFFAOYSA-N 302.161 1.364 0 40 DDAB Cc1nc(C(=O)O[C@@H]2C[C@H](C)OC2=O)nn1-c1ccc(F)cc1 32828761 OXCLNNBKLCUQKH-QPUJVOFHSA-N 319.292 1.576 0 40 DDAB CO[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](CN2C(C)=O)O1 104200295 CREDLTBHVJDDDE-GBJTYRQASA-N 305.330 1.204 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN([C@@H]2CCC[C@H]2O)CC1 78789482 FRZKVHQHYSNYFB-HUUCEWRRSA-N 314.389 1.234 0 40 DDAB Cc1nc(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)cs1 23328039 RUYJEJWRJTXPNI-UHFFFAOYSA-N 303.343 1.964 0 40 DDAB O=c1c(NCc2ccncc2)c(NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O 101700478 ZTGFOBMIDLIUFS-HZSPNIEDSA-N 309.369 1.914 0 40 DDAB Cc1cc(NC(=O)N[C@@H]2CCCc3c2cnn3CCO)n(C)n1 47125403 ODMYKTSHJPALCM-GFCCVEGCSA-N 318.381 1.116 0 40 DDAB CN1C(=O)c2ccc(C(=O)NCCc3ccc(O)cc3)cc2C1=O 54632010 ADXWVVGRKCVCGL-UHFFFAOYSA-N 324.336 1.591 0 40 DDAB Cc1nn(C)c(C)c1CN[C@@H]1CCCN(c2cccnn2)C1 105802431 YQEMOXJDVYRPBV-CQSZACIVSA-N 300.410 1.586 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCCn1ccnc1 43310687 WXWDFQNSKGSROK-ZDUSSCGKSA-N 316.361 1.365 0 40 DDAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1(C)C 25148328 ZJCYJBVNFQXUAF-VXGBXAGGSA-N 319.405 1.425 0 40 DDAB CS(=O)(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@H]21 107201843 YCCGPKDBFWGAGQ-OAGGEKHMSA-N 324.446 1.073 0 40 DDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)N1CCCC1 12553877 SDMIURRGPMAKOZ-QWRGUYRKSA-N 303.362 1.829 0 40 DDAB CN(C)C(=O)C1CCN(C[C@@H](O)COc2ccccc2)CC1 57942933 CRHNLQPFRLUQNP-OAHLLOKOSA-N 306.406 1.227 0 40 DDAB Cc1ccc(-c2nnn(C[C@H](O)CN3CCC(C)CC3)n2)cc1 58142454 GEWZEOIIYHSVGI-MRXNPFEDSA-N 315.421 1.741 0 40 DDAB COc1ccc(S[C@H](C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 58341747 WCPLGZXTARMPOC-TZMCWYRMSA-N 324.446 1.623 0 40 DDAB CN(CC(=O)Nc1ccc(-n2cncn2)nc1)Cc1ccccc1 58322883 IENZWQULUWZIDL-UHFFFAOYSA-N 322.372 1.733 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 10767725 GLHYRCBGZXFREE-AWEZNQCLSA-N 319.288 1.779 0 40 DDAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 12647775 OWMAQTZRMHFZDG-UHFFFAOYSA-N 311.345 1.192 0 40 DDAB COC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 28449401 WUZUSGQPUWMWLN-UHFFFAOYSA-N 302.256 1.866 0 40 DDAB O=C1CC[C@H](C(=O)NCCc2cnn(-c3ccccc3)c2)CN1 48083652 JFFYXERMXDEMMS-AWEZNQCLSA-N 312.373 1.057 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)CCc2ccsc2)n1 11015379 BBOQFJYIGFSWJQ-UHFFFAOYSA-N 307.379 1.257 0 40 DDAB Cc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2cccc(C)c2)cc1 409063628 AHTNMATUCQKXPB-JKSUJKDBSA-N 309.369 1.778 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NC[C@H](c1ccco1)N(C)C 48237280 MASGNCFVJZBYJK-UONOGXRCSA-N 309.410 1.950 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1cnn(-c2ccccc2)n1 48263374 IIAUFPBEGMSZEK-CYBMUJFWSA-N 300.362 1.766 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 17635684 XLGVGHASZREYEO-LLVKDONJSA-N 313.375 1.011 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)Cc1noc2ccccc12 62640111 XUOMZGSNCMAYIJ-ZDUSSCGKSA-N 303.362 1.647 0 40 DDAB CCCCn1nnnc1COc1c(CO)cc(F)cc1CO 12918684 LXQVJNNRXRGACV-UHFFFAOYSA-N 310.329 1.176 0 40 DDAB C[C@]1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCNC1 62888902 MCPNBAXIGVQUJR-INIZCTEOSA-N 307.825 1.988 0 40 DDAB CS[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 69492712 SNQNMTWBHJIIHS-RISCZKNCSA-N 306.431 1.744 0 40 DDAB C/C(=C\C(=O)N[C@@H]1CCS(=O)(=O)C1)CCc1ccccc1 69456112 KMGKJFSEQLPECY-HFBDAHEESA-N 307.415 1.869 0 40 DDAB CCOC(=O)C(=CNNc1ccccc1C(=O)O)C(=O)OCC 4207183 XAELKFLKABPRSY-UHFFFAOYSA-N 322.317 1.311 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H]1COc3ccccc3C1)C2 69511306 WTMAUVGAGYZJQM-CYBMUJFWSA-N 312.373 1.434 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CN1CCCCCC1=O 69518006 SEXJRRRCESKPDD-HOTGVXAUSA-N 321.465 1.864 0 40 DDAB C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]n2)CC1 69588929 VMZHTEKOTUTZJV-JTQLQIEISA-N 321.331 1.602 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@H]2Cn2cccn2)ccc1=O 69893113 VTCRMKKWCAUCFO-ZDUSSCGKSA-N 315.377 1.155 0 40 DDAB C[C@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc21 65434478 BQGOKYLPDXLGAR-GFCCVEGCSA-N 319.430 1.723 0 40 DDAB COc1ccc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cn1 69925271 FKHZGFLKGKNXIU-CQSZACIVSA-N 321.421 1.255 0 40 DDAB O=C1C[C@H](N(C(=O)c2ccc(-n3cccc3)cc2)C2CC2)C(=O)N1 65532802 RYHIVSGQJPSLOK-HNNXBMFYSA-N 323.352 1.497 0 40 DDAB Cc1cc(C)c(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1C 6435713 XRDGWXCCKFSHJY-UHFFFAOYSA-N 316.357 1.994 0 40 DDAB CC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 14187435 ATTJWUYQGGLINN-UHFFFAOYSA-N 310.781 1.846 0 40 DDAB CCN1CCN(c2ccc(C(=O)NCCOC)cc2F)CC1 66306817 CZCUGTQGTFSZGF-UHFFFAOYSA-N 309.385 1.344 0 40 DDAB C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)[S@@](C)=O 89901212 UPIOXGLQCNSKRR-XFNZEKPQSA-N 318.398 1.539 0 40 DDAB Cn1cc(N2CCN(C[C@@H](O)c3c(F)cccc3F)CC2)cn1 80624834 UGMXBKIBDSCTDE-OAHLLOKOSA-N 322.359 1.554 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)c1cccs1 76092285 NHDZPHQNJQRZFT-WBMJQRKESA-N 324.446 1.863 0 40 DDAB CC[C@@H](C(=O)N[C@@H](C)C(C)=O)N1C(=O)c2ccccc2C1=O 9203753 CYAGOALCAMFRTG-ZANVPECISA-N 302.330 1.155 0 40 DDAB CC(=O)NCC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 96009691 YQAKXNWTUZIKQS-LLVKDONJSA-N 310.222 1.821 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[S@@](=O)C1 84101434 KRUPUTFOTRPGBF-QGHHPUGFSA-N 307.824 1.448 0 40 DDAB COc1c([C@H]2CCCN2CC(=O)N2CCCCC2)c(C)nn1C 72253674 JMXCVGVWZGYWNT-CQSZACIVSA-N 320.437 1.887 0 40 DDAB COCCS(=O)(=O)N[C@H]1CCSc2ccc(F)cc21 72230455 WMXSUFXYFBOZCK-NSHDSACASA-N 305.396 1.928 0 40 DDAB Cc1nnc(CN2CCN(C(=O)C3CCCCC3)CC2)n1C 71833207 QWAOMLZVASAESJ-UHFFFAOYSA-N 305.426 1.348 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)s2)CC1 71881792 YRUWDVYUCTWEKS-SNVBAGLBSA-N 302.827 1.930 0 40 DDAB O=c1cc(CN2CCCC[C@H]2Cn2cncn2)nc2ccccn12 71876220 URZGUYBFILRJBE-HNNXBMFYSA-N 324.388 1.341 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)COCc2nc(C)no2)no1 72299153 ZPFUNINLDRYHAB-JTQLQIEISA-N 321.337 1.204 0 40 DDAB C[C@@H](NC(=O)N[C@H]1CCc2c(O)cccc21)c1nncn1C 71920309 GIDBMPYJBKOJPL-SKDRFNHKSA-N 301.350 1.568 0 40 DDAB CC(CO)(CO)NC(=O)c1cc(-c2ccccn2)ccc1Cl 97098077 LQBZMPXZLSONQF-UHFFFAOYSA-N 320.776 1.875 0 40 DDAB Cc1ccccc1OCCCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 84247598 IINBZHVRGQUDIT-ZFWWWQNUSA-N 320.389 1.303 0 40 DDAB C[C@H](C[S@](C)=O)NC(=O)Nc1ccc(-n2cccn2)cc1 97107342 JSFDNGYIFCPBDW-WSVYEEACSA-N 306.391 1.761 0 40 DDAB C[C@]1([C@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O 72300725 IXWZTEUDGAZPDQ-XHDPSFHLSA-N 307.419 1.601 0 40 DDAB CC(C)(C)CN(CCCO)S(=O)(=O)N1CCCCCC1 95433017 LWEQEDBKEAADQZ-UHFFFAOYSA-N 306.472 1.838 0 40 DDAB C[C@H](N[C@@H](C)c1ccccc1N(C)C)C(=O)N1CCOCC1 89588348 XTCMFVPPHMFJMN-KBPBESRZSA-N 305.422 1.651 0 40 DDAB CC1(C)CCC[C@H]1NCCS(=O)(=O)NC[C@@H]1CCCCO1 89596689 CGICRVDOFCTTGW-UONOGXRCSA-N 318.483 1.643 0 40 DDAB COc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1 75142085 DKZUQGDSOKPZMT-UHFFFAOYSA-N 324.388 1.768 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@H](O)C(C)C 75145525 VJFXALKAURZDNG-INIZCTEOSA-N 321.421 1.970 0 40 DDAB CCOCCCNC(=O)[C@@H](C)n1cc(Br)cn1 28224266 KMXLKRZOSHRCEL-SECBINFHSA-N 304.188 1.749 0 40 DDAB O=C(CN1CCCNCC1)Nc1ccccc1OC(F)(F)F 64875882 UUIGDYLRJXXBDX-UHFFFAOYSA-N 317.311 1.819 0 40 DDAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(F)cc1 408667077 QAWQYIXOIWRWKS-ALTYAODHSA-N 318.300 1.749 0 40 DDAB Cn1nc(C2CC2)nc1CN1CCC[C@H]1c1ccc(O)nn1 528787901 KKXTWGAULQCEHH-LBPRGKRZSA-N 300.366 1.525 0 40 DDAB COc1ncccc1C(=O)N[C@@]1(CO)COc2ccccc2C1 529822183 MHXAVQLDHNVPLB-KRWDZBQOSA-N 314.341 1.186 0 40 DDAB COC(=O)c1cc2c(C)n(C)c(C)c2cc(C(=O)OC)c1=O 218891107 GVMVHKQMJHLVRJ-UHFFFAOYSA-N 303.314 1.729 0 40 DDAB Cc1cc(C(=O)Nc2c(C)nn(C)c2C)nc(N2CCCC2)n1 72239862 XLBKMXZGPGHOMG-UHFFFAOYSA-N 314.393 1.988 0 40 DDAB Cc1cccc(CN2CCCN(C(=O)c3cnn(C)c3)CC2)n1 72368533 CSABBXYIVOAZDZ-UHFFFAOYSA-N 313.405 1.472 0 40 DDAB NC(=O)c1coc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 187989558 LFMPSBAIYXPEHV-LRDDRELGSA-N 321.377 1.215 0 40 DDAB CC(C)N1CCC(c2nc(N(C)C)ncc2NCCO)CC1 72366268 GGTLVFGPIGUKCK-UHFFFAOYSA-N 307.442 1.535 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(N)C(=O)O 218575984 LIEZWOARQLCJMM-FOGDFJRCSA-N 303.767 1.023 0 40 DDAB COC[C@]1(C(=O)O)CCN(c2nc(C)cc(C(F)(F)F)n2)C1 520412264 QYGULMCILLKFKN-LBPRGKRZSA-N 319.283 1.731 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C)n(C)n2)c1F 225394130 SMBKBXJSIAWGRB-UHFFFAOYSA-N 301.347 1.193 0 40 DDAB Cn1nc(CC(=O)N2CCSCC2)c2ccccc2c1=O 40542190 JKWNULSHWPXVMG-UHFFFAOYSA-N 303.387 1.051 0 40 DDAB CC(C)NC(=S)Nc1nc(Cl)cc(N2CCOCC2)n1 225890300 IGZQFEPFNPIFML-UHFFFAOYSA-N 315.830 1.661 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CC[C@@H]1CCCO1 195574159 ZXFBOJQCSICIKO-ILXRZTDVSA-N 318.483 1.595 0 40 DDAB Cc1ccn2c(=NC(=O)c3nn(C)c4c3CCCC4)[nH]nc2c1 333580942 RJRLWEZFRFDUJJ-UHFFFAOYSA-N 310.361 1.324 0 40 DDAB COc1coc(CSc2nnnn2-c2ccccc2)cc1=O 96137130 OHNDYNLFXPKFDA-UHFFFAOYSA-N 316.342 1.916 0 40 DDAB CCCN1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)c2cnccn2)C1 97953491 FPPBMKXLLJHSIX-CFVMTHIKSA-N 304.394 1.096 0 40 DDAB Cc1cc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)n(C)n1 238819262 CFQZQQRHOFKOOF-AWEZNQCLSA-N 310.361 1.491 0 40 DDAB C[C@H]1CCCc2ccccc2[C@H]1NS(=O)(=O)c1cnnn1C 330049125 KNRTVOHCMJYQBP-NHYWBVRUSA-N 320.418 1.807 0 40 DDAB Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cccs2)cn1 96110723 XRFZUVMODMSCPM-UONOGXRCSA-N 302.403 1.861 0 40 DDAB COC[C@H]1c2c(cnn2C)CCN1C(=O)Cc1ccsc1 96197724 HNZWMLZQJCKRQE-ZDUSSCGKSA-N 305.403 1.797 0 40 DDAB COCCC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 96080906 FYLLEDSJVSLJJT-GJZGRUSLSA-N 306.381 1.752 0 40 DDAB Cn1nc(CN2CCCC2=O)c2c1CN(Cc1ccco1)C2 96259096 HQBYISBPKZUJAH-UHFFFAOYSA-N 300.362 1.651 0 40 DDAB COCCN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96100415 ILGDFMWFFMFDLY-OWCLPIDISA-N 304.390 1.039 0 40 DDAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 245338693 NWAPXIZWIWXFGO-CVWVJMLGSA-N 319.449 1.822 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2c[nH]nc2C)n1 257254279 KCLFLJADMBRUPF-OAHLLOKOSA-N 314.393 1.481 0 40 DDAB CC(=O)N1CCC(Cc2nc(C)cc(-c3ccnn3C)n2)CC1 257267857 MJBHOVKVIWQXOM-UHFFFAOYSA-N 313.405 1.987 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 257322716 WHBJUHGELPHGMS-ZDUSSCGKSA-N 301.350 1.071 0 40 DDAB CCCn1c(=O)n(CC(=O)NC[C@H]2CCOC2)c2ccccc21 41371593 FCUFJDQEBVHUHM-CYBMUJFWSA-N 317.389 1.366 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2cccc(F)c2)n1 257293881 QROYULNLHDPWTP-CQSZACIVSA-N 303.337 2.000 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 257325140 WRQSWNMMQJZVEW-ZDUSSCGKSA-N 312.373 1.896 0 40 DDAB O=C(O)c1ccccc1-n1cnc(CNC2CCOCC2)c1 257292112 QKBROBSETZGXMH-UHFFFAOYSA-N 301.346 1.839 0 40 DDAB Cn1ccc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)n1 257214353 CLRFUGHZHSXXRG-INIZCTEOSA-N 315.377 1.556 0 40 DDAB Cc1ccc2ncnc(NC[C@H]3CCCN3S(C)(=O)=O)c2c1 269847670 DSRKSDFUFJSGRO-GFCCVEGCSA-N 320.418 1.774 0 40 DDAB O=S1(=O)C=C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 575422762 OFWMDLJIGMNEBY-ZDUSSCGKSA-N 323.395 1.429 0 40 DDAB CNc1nc([C@H]2CCN(C(=O)c3cnccn3)C2)cn2cccc12 585178926 SODVBQZGWGZXST-LBPRGKRZSA-N 322.372 1.796 0 40 DDAB Cc1nn(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)c1Cl 57447719 URIQCMNCDASCPN-CQSZACIVSA-N 320.780 1.496 0 40 DDAB O=C(CCNC(=O)c1ccc(F)cc1)NCc1cccnc1 52930237 AAKOIQXLGBQXRS-UHFFFAOYSA-N 301.321 1.657 0 40 DDAB Cc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)nn(C)c2C)on1 53667224 JBTFHMCQFGOROL-GFCCVEGCSA-N 324.406 1.859 0 40 DDAB Cc1cc(NC(=O)CCN2CCC(c3ccnn3C)CC2)no1 69371123 HTYRTFFODCYQBC-UHFFFAOYSA-N 317.393 1.925 0 40 DDAB O=C(Cn1ccc(=O)c2ccccc21)NCC[C@@H]1CCCO1 58418271 KTFYNFADUJWJIB-ZDUSSCGKSA-N 300.358 1.687 0 40 DDAB Cc1cc(NC2CCCC2)nc(C2CN(S(C)(=O)=O)C2)n1 72364702 KUPOWAMLNPFTRZ-UHFFFAOYSA-N 310.423 1.498 0 40 DDAB Cc1nc2n(n1)CCN(C(=O)c1cc(C(C)(C)C)n(C)n1)C2 72339449 LCYMQGGHYIYFRX-UHFFFAOYSA-N 302.382 1.274 0 40 DDAB COCCNc1cc(CC[C@H]2CCCCN2C(C)=O)ncn1 72366297 RVSQQNGDGPBYOW-OAHLLOKOSA-N 306.410 1.869 0 40 DDAB CC[C@H]1CN(Cc2nnsc2Cl)CCN1C[C@H](C)O 106929201 OXTNGJGAXVHSEI-UWVGGRQHSA-N 304.847 1.469 0 40 DDAB O=c1cc(-c2c(O)cc(O)cc2O)oc2cc(O)cc(O)c12 5004393 ISJMMWDSNQVANM-UHFFFAOYSA-N 302.238 1.988 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccncc1 12236500 FYHYILGSQUDMAB-LLVKDONJSA-N 302.359 1.622 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N1C[C@H](C)O[C@@H](C)C1 12895033 HZLXKGLKRKHWLA-STQMWFEESA-N 320.389 1.451 0 40 DDAB CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C 13115508 UJPPOIRSNSWFKB-UHFFFAOYSA-N 302.378 1.406 0 40 DDAB CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)C2CC2)C1 19020147 YDIAOUCDSOJSEK-GDBMZVCRSA-N 301.390 1.907 0 40 DDAB COCCC(=O)N1C[C@H]2Cc3c(n[nH]c3-c3ccncc3)[C@H]2C1 19593219 QLIYNRXYFNZQBK-OCCSQVGLSA-N 312.373 1.606 0 40 DDAB O=C(Cc1ccccc1)NC(=S)N1CCC(C(=O)O)CC1 226346330 LGRGNOQFAZLWMO-UHFFFAOYSA-N 306.387 1.427 0 40 DDAB Cc1nc(S(=O)(=O)N2CCC(c3ccn(C)n3)CC2)cn1C 575606547 ILAAQPHIRYFJJC-UHFFFAOYSA-N 323.422 1.030 0 40 DDAB O=C(Cn1cnc2ccsc2c1=O)NCc1ccc(F)cc1 26017871 AGBFCDHKQQBVGW-UHFFFAOYSA-N 317.345 1.914 0 40 DDAB Cc1cc(OC2CCN(C(=O)Cn3cccc3)CC2)nc(C)n1 390829203 XDZFVLQPXKYDDV-UHFFFAOYSA-N 314.389 1.965 0 40 DDAB COc1cc(N2CCN(c3ncccc3F)CC2=O)ccn1 1888860072 YGCKQZNBIZMRES-UHFFFAOYSA-N 302.309 1.478 0 40 DDAB Cc1cc(N2CCN(c3ncc(F)cn3)CC2)n2nccc2n1 1888866330 AXGANZAMJPMDQK-UHFFFAOYSA-N 313.340 1.293 0 40 DDAB c1cnn(-c2ccc(N3CCN(Cc4ccncc4)CC3)nn2)c1 1889139821 CITQTZDPYVACIV-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB C[C@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)OCO2 25583955 PVHGFAZEHZQOLX-NSHDSACASA-N 300.314 1.454 0 40 DDAB O=C1OCC[C@@H]1N1CCN(C(=O)c2cc3ccccc3o2)CC1 26732468 IDMWSMDMJVYIMY-ZDUSSCGKSA-N 314.341 1.506 0 40 DDAB O=C(c1cnc2n(c1=O)CCS2)N(Cc1ccco1)C1CC1 29270061 QRHKIQXUFQYLQZ-UHFFFAOYSA-N 317.370 1.747 0 40 DDAB O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccccc1 32826340 MWLRRLGHWIZEPD-UHFFFAOYSA-N 305.359 1.389 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21 2037985509 MFFPUSUNICBXSV-ZFWWWQNUSA-N 320.364 1.074 0 40 DDAB Cc1nnc(CN2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)o1 2086934229 IDOVMZWCWYPSFH-VXGBXAGGSA-N 303.341 1.480 0 40 DDAB CC(C)c1nccn1CC1CN(c2ncnc3c2cnn3C)C1 2087139484 OFPHCWABHRLQKD-UHFFFAOYSA-N 311.393 1.820 0 40 DDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 17244058 VYUGWERAQQWTFK-DTORHVGOSA-N 310.350 1.643 0 40 DDAB CCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055771864 FIKOSARUNCSQFN-NSHDSACASA-N 304.394 1.206 0 40 DDAB Cc1ccc(=O)n([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)n1 44395445 AFKCLTNXCSRFFT-ZDUSSCGKSA-N 324.384 1.953 0 40 DDAB CCc1ocnc1C(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449819 RTCLVDSOGKOUFZ-UHFFFAOYSA-N 321.768 1.643 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 32748011 ROPYCHZEOYUSMS-LLVKDONJSA-N 319.386 1.481 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc(-c2ccco2)[nH]n1 30514890 RJWTYEAOGGQRHL-UHFFFAOYSA-N 308.301 1.642 0 40 DDAB CC(C)(CNC(=O)Nc1nc2ccccc2[nH]1)N1CCOCC1 40477812 QTCBLQJTPCNAMY-UHFFFAOYSA-N 317.393 1.795 0 40 DDAB O=C(NCc1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 40468342 KSMFUPZEXGLXOS-INIZCTEOSA-N 303.406 1.693 0 40 DDAB COc1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cn1 31483740 FOLSWLJKUWQQCL-UHFFFAOYSA-N 312.333 1.326 0 40 DDAB CCN(CC)C(=O)[C@@H]1C(=O)N[C@]2(C)C[C@@H]1c1ccccc1O2 100835429 IQBBFZAIYZOIHP-IFIJOSMWSA-N 302.374 1.883 0 40 DDAB CCCn1nc(C(=O)NCc2cccnc2N(C)C)ccc1=O 40525125 UZGWXMHZOVOVGN-UHFFFAOYSA-N 315.377 1.044 0 40 DDAB Cc1cc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)no1 51254572 WBROSJFVEPIBDP-QGZVFWFLSA-N 319.380 1.973 0 40 DDAB CN(C)c1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1 416954 ZWDLZPHBXNHWJC-UHFFFAOYSA-N 300.366 1.029 0 40 DDAB C[C@@H](OCC1CC1)C(=O)NCCC(=O)NCc1ccncc1 69323203 AVUBRTNGJRGSIA-GFCCVEGCSA-N 305.378 1.019 0 40 DDAB CC(C)Oc1ccc(CCNC(=O)N2CC[C@H](C(N)=O)C2)cc1 45894644 XTMMMYBCRNLFSB-AWEZNQCLSA-N 319.405 1.533 0 40 DDAB O=C(NCc1ccsc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 69665284 XZXVNRIVWFNZBL-RKDXNWHRSA-N 306.309 1.821 0 40 DDAB Cc1cc(C)n(CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 69655831 XLRFADDDCPCGKG-UHFFFAOYSA-N 324.425 1.919 0 40 DDAB CCOc1ccccc1NC(=O)CN1C(=O)CS[C@@H](C)C1=O 2711150 CWUBOJBZGPUTTM-JTQLQIEISA-N 322.386 1.514 0 40 DDAB O=C(c1ccc(OC2CCCC2)cc1)N1CCN(CCO)CC1 75572344 TYEBZURZHAJDBN-UHFFFAOYSA-N 318.417 1.758 0 40 DDAB NS(=O)(=O)c1cccnc1NCCc1ccc(F)cc1F 75611170 JVRRHZYBGLYGJW-UHFFFAOYSA-N 313.329 1.662 0 40 DDAB Cc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4975391 PEBUXYDTCLGVRK-CQOGHXNDSA-N 314.337 1.919 0 40 DDAB C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 94345651 AFAQCZZJJBJTPZ-RDDDGLTNSA-N 308.325 1.380 0 40 DDAB COC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)o1 7735732 OTAMUWYRVWYELN-UHFFFAOYSA-N 311.315 1.341 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCCN(CC3CCCCC3)CC2)N1 60397849 XFTPMTINRTUGGD-HNNXBMFYSA-N 307.438 1.380 0 40 DDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NCC(F)(F)F 8281879 OZSDOVXVJGJSSU-JTQLQIEISA-N 319.235 1.048 0 40 DDAB Cc1cc2c(c(Br)c1N)=N[C@@H](c1cccnc1)N=2 103534015 CJGSNHYGIXIREF-ZDUSSCGKSA-N 303.163 1.686 0 40 DDAB Cc1nc(CN2CCO[C@@H](CNc3cccnn3)C2)cs1 76049790 RFOWYLXJFHWBDO-ZDUSSCGKSA-N 305.407 1.554 0 40 DDAB CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 32816630 DLOCJURWFZIHIY-ZDUSSCGKSA-N 305.378 1.353 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1[C@H](C)CCC[C@H]1C 32958233 YDSSSXAYAWKAAK-VXGBXAGGSA-N 320.389 1.962 0 40 DDAB CCc1cc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)on1 76094036 WZAXRNCTWXXOCO-GFCCVEGCSA-N 317.393 1.745 0 40 DDAB CN(C)C(=O)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 29925192 YANGWFMUZVFWBI-UHFFFAOYSA-N 315.377 1.536 0 40 DDAB CC(C)N(Cc1ccccn1)Cc1nc2c(cnn2C)c(=O)[nH]1 52833442 AJQDDTNVXOMYNF-UHFFFAOYSA-N 312.377 1.462 0 40 DDAB Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c2c(C)noc2n1 69456863 RNWDWKSVWXUWTB-UHFFFAOYSA-N 312.333 1.396 0 40 DDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cnccn1 22687203 LLDDJHHROSBTSM-OAHLLOKOSA-N 312.373 1.107 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)Cn3ccnc3)ccc21 42513684 XTJXGFWNQSDYPU-GFCCVEGCSA-N 312.373 1.611 0 40 DDAB NC(=O)c1cccc(NC(=O)c2ccccc2-n2cccn2)n1 89811929 ZUTPSCXDGZOWJN-UHFFFAOYSA-N 307.313 1.619 0 40 DDAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1 24134852 XMORZKCZUWOHBV-NSHDSACASA-N 301.346 1.588 0 40 DDAB O=C(NCCN1CCc2ccccc2C1)Nc1nncs1 43129185 GNXMXUHZENXBCQ-UHFFFAOYSA-N 303.391 1.718 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1 55215203 UQPHDBGSRMNSPC-PLWJUESGSA-N 308.403 1.493 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCO[C@H]2CCCC[C@H]21 106861619 TXBIILMSGUUUSL-WWGRRREGSA-N 303.358 1.996 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccco2)CC1 25260092 VZVDWFREKYOVHJ-NSHDSACASA-N 314.407 1.519 0 40 DDAB Cc1nnc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)s1 25900873 WLMUZAQKFOFFJB-UHFFFAOYSA-N 318.358 1.749 0 40 DDAB Cc1ccccc1N1CCN(CC(=O)NC(=O)NC(C)C)CC1 35310648 PSTOOGNHVOJKTL-UHFFFAOYSA-N 318.421 1.351 0 40 DDAB CN(C)C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 10668311 SZFQAVDOOOXXPE-HNNXBMFYSA-N 320.370 1.247 0 40 DDAB CC[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)C(C)C 57458867 BXTQGRVOVVBWSD-OCCSQVGLSA-N 316.405 1.876 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)Nc2ccc(OC)nc2)cc1 48019235 ULHYEIBXZNOGNV-AWEZNQCLSA-N 317.345 1.954 0 40 DDAB CCN(CC)c1ccc(NC(=O)N2CCN(C(C)=O)CC2)cn1 48174128 KEPJSUUXFXQXLS-UHFFFAOYSA-N 319.409 1.624 0 40 DDAB C[C@@H](C(=O)NC[C@@H]1CCN(c2ccccc2)C1)S(C)(=O)=O 48126327 ITBSIZAWIHGDKZ-STQMWFEESA-N 310.419 1.062 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)NC[C@H]3CCCO3)cnc12 27027642 IOPGXLUFPBEDKM-CYBMUJFWSA-N 315.373 1.390 0 40 DDAB CCCc1[nH]ncc1C(=O)NC[C@@H]1COc2ccccc2O1 58158005 JAKGMTHYTPMWLF-LLVKDONJSA-N 301.346 1.932 0 40 DDAB c1csc([C@H](CNc2ccc3nnnn3n2)N2CCCC2)c1 58263916 UHTAOTVDSDCYAO-NSHDSACASA-N 315.406 1.830 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cncn1-c1ccccc1 44940383 HQIODZKMHFLKLR-CQSZACIVSA-N 314.389 1.323 0 40 DDAB Cc1ccccc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 58377641 LIPMWMDTQYPHKB-INIZCTEOSA-N 315.417 1.549 0 40 DDAB COc1ccc(C(=O)NC(=O)CSc2nnc(C)s2)cc1 28864539 ZCYKOUYXQOQGDS-UHFFFAOYSA-N 323.399 1.904 0 40 DDAB O=C(NCc1ccc(N2CCCCC2)nc1)NCc1cc[nH]n1 48234450 IONQCJFIIOIWGP-UHFFFAOYSA-N 314.393 1.794 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COc1ccc(F)cc1 12909226 XTSDJKNDLBTWDL-YUELXQCFSA-N 319.332 1.517 0 40 DDAB CCN1CCO[C@@H](CNCc2ccc(-n3cncn3)c(F)c2)C1 69771971 DVSRXOXGADKQSI-AWEZNQCLSA-N 319.384 1.217 0 40 DDAB O=C(CN(CCO)CCCO)N1CCC[C@@H]1c1cccs1 69700732 SQHITBVMNULMMI-CYBMUJFWSA-N 312.435 1.088 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)CCOc1ccc(OC)cc1 69815999 FISVSFQVDLAUNA-CQSZACIVSA-N 306.362 1.201 0 40 DDAB CC(=O)c1cccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)c1 5376100 UDUGELMMXHVKFQ-NEPJUHHUSA-N 310.400 1.543 0 40 DDAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(=O)[nH]c1 14494051 JFZAVNXCMOHDTN-CQSZACIVSA-N 308.341 1.812 0 40 DDAB CCCC(=O)N1CSC[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 66265380 RQXQWGWWRPUGSZ-GFCCVEGCSA-N 318.402 1.625 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cccc(-n2cccc2)c1 6830729 NWEXDQSVRRJFCC-UHFFFAOYSA-N 313.313 1.186 0 40 DDAB O=c1c2cnc(NC3CC3)nc2nc(O)n1-c1cccc(F)c1 67263736 SLRWDAVDVOFGAI-UHFFFAOYSA-N 313.292 1.595 0 40 DDAB O=S(=O)(CC1CCC1)N1CCC[C@@H](c2nnc3n2CCC3)C1 92864355 SAWFFGADVFFXED-CYBMUJFWSA-N 324.450 1.534 0 40 DDAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2[nH]1 7221248 HKYSCFAGXHCZNH-LBPRGKRZSA-N 318.402 1.521 0 40 DDAB COc1ccc(S[C@H](C)C(=O)N2CCNC(=O)CC2)cc1 68257485 JDLSOICRSXTNCM-LLVKDONJSA-N 308.403 1.524 0 40 DDAB CC(C)[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(N)=O 7903855 QUEQKDVMDJOBCN-JTQLQIEISA-N 323.422 1.802 0 40 DDAB CC(=O)NCC(=O)N[C@@H](C)Cc1ccccc1Br 89904188 CUKILNJEIOHBEJ-VIFPVBQESA-N 313.195 1.632 0 40 DDAB CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@@H]21 306141127 VLWOITDBNBMNSJ-BRWVUGGUSA-N 317.433 1.447 0 40 DDAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(N)=O)CCC2=O)c1 9397554 MGBJWMIBLFWVRQ-LLVKDONJSA-N 317.345 1.203 0 40 DDAB CN(C)C(=O)CN1CCN(Cc2nc(C(C)(C)C)cs2)CC1 79072677 FZNSRJIKVPLWCQ-UHFFFAOYSA-N 324.494 1.646 0 40 DDAB NC(=O)[C@H](CNC(=O)C[C@@H]1C=CCC1)Cc1ccc(F)cc1 71826733 MMMFVWLJNPRIRM-OCCSQVGLSA-N 304.365 1.942 0 40 DDAB C[C@@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)[C@H](C)CO1 71828387 XKIXCIBDXXQOTF-VXGBXAGGSA-N 300.358 1.706 0 40 DDAB Cc1ccoc1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71841572 IIXJFOQOKQSHMP-GFCCVEGCSA-N 304.321 1.801 0 40 DDAB CC1(C)COCCN1C(=O)Cn1ncc(=O)c2ccccc21 71830851 FBPQIKIJXOHWSA-UHFFFAOYSA-N 301.346 1.034 0 40 DDAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCNC1=O 71832835 DGWMYZBWHGRRIJ-UHFFFAOYSA-N 322.796 1.014 0 40 DDAB CN1CCC(N(C)[C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19943662 IDGIUMMSDWTVDX-HNNXBMFYSA-N 301.390 1.345 0 40 DDAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)N1CCOCC1 9609851 HSUPUWIJCWKEER-QMMMGPOBSA-N 324.431 1.613 0 40 DDAB O=C(NC(C1CC1)C1CC1)N1CCC(N2CCNC2=O)CC1 84136813 PMLVTIADJJJFGX-UHFFFAOYSA-N 306.410 1.374 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n[nH]1 84110205 ZBGYECQAJMACDM-CHWSQXEVSA-N 316.405 1.435 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCCc1nc(C)no1)C2 72279135 NJTCMBMDOGNFEP-LBPRGKRZSA-N 303.366 1.337 0 40 DDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(CN(C)C)CC1 72272926 PLYOPSLYSGCLTE-VOTSOKGWSA-N 304.438 1.850 0 40 DDAB CN(C)[C@H](CNC(=O)NC[C@H]1CC=CCC1)c1cnn(C)c1 72287700 HYKSBDGOZNDVNH-DZGCQCFKSA-N 305.426 1.678 0 40 DDAB Cc1nc(CCCC(=O)N(C)S(=O)(=O)C(C)C)cs1 84274609 ILMNTXOVFVBGCQ-UHFFFAOYSA-N 304.437 1.971 0 40 DDAB COC(=O)C1(C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)CC1 97146831 IGTZNZPXPBLBTE-GFCCVEGCSA-N 305.378 1.911 0 40 DDAB Cc1nc2ccc(NC(=O)[C@H](C)N3CCN(C)CC3)cc2o1 95395208 VQWGHGJWSSXSBD-NSHDSACASA-N 302.378 1.711 0 40 DDAB CCc1n[nH]c([C@H]2CN(Cc3cccc4c3OCO4)CCO2)n1 95430527 OIOGAUJHTBUFGF-CYBMUJFWSA-N 316.361 1.669 0 40 DDAB Cn1c(CNS(=O)(=O)CCc2ccccc2)nnc1C1CC1 95469260 HNWSHJRESBJOHO-UHFFFAOYSA-N 320.418 1.355 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 95965893 KCGMGRABEPOEBS-CPRYYRBXSA-N 321.417 1.992 0 40 DDAB CS(=O)(=O)Nc1cccc2c1CCCN2CCn1ccnc1 95980390 WQAURNCPKIZYGX-UHFFFAOYSA-N 320.418 1.707 0 40 DDAB O=S(=O)(CCN[C@H]1CCC[C@@H](C2CC2)C1)N1CCOCC1 89540632 GBMPIADZQSLTCG-CABCVRRESA-N 316.467 1.207 0 40 DDAB CCN(CC)[C@H](CNC(=O)Cn1ccnn1)c1ccsc1 75104683 KLHKEWGOWYWMKZ-CYBMUJFWSA-N 307.423 1.539 0 40 DDAB Cc1cnc(CNS(=O)(=O)c2ccc(C)c(N(C)C)c2)o1 89644196 XIHMUMAAMLBPJY-UHFFFAOYSA-N 309.391 1.836 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ncc(C)o2)C1 548010530 SHHOBUASQGLEID-OAHLLOKOSA-N 320.418 1.985 0 40 DDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C1(NCC(=O)O)COC1 306145605 KFEHDQQKAIZARR-NSHDSACASA-N 316.398 1.369 0 40 DDAB C[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1ccc(Cl)cn1 520420979 TYUCCNABPBMGSJ-ZETCQYMHSA-N 321.772 1.059 0 40 DDAB Cc1nnc(Sc2ccc(N)cc2C(=O)OC(C)C)n1N 70462463 PBFGEMUYARMTTI-UHFFFAOYSA-N 307.379 1.599 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 521402341 XQZYVALCURSSDN-YIZRAAEISA-N 311.411 1.262 0 40 DDAB COCCn1cnnc1CN(C)c1ncccc1C(F)(F)F 1529186855 LEMORNKMNCZBMN-UHFFFAOYSA-N 315.299 1.975 0 40 DDAB CN(CCc1ccncc1)[C@@H]1CCCN(c2ccn(C)n2)C1=O 181497243 ACKYREYVVGPUJS-OAHLLOKOSA-N 313.405 1.485 0 40 DDAB CCCNC(=O)[C@H](C)[S@](=O)Cc1cc(F)ccc1OC 79324395 GWQWEWCGZSFWEJ-FVINQWEUSA-N 301.383 1.998 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=S 218302526 JBEKUUIMSRDTMF-UHFFFAOYSA-N 300.405 1.114 0 40 DDAB CCCNC(=O)CN1C(=O)N/C(=C\Cc2ccccc2)C1=O 32818829 JAZAVRINRIUCKT-LCYFTJDESA-N 301.346 1.191 0 40 DDAB Cc1cccc(Cc2cncc([C@@H]3CCCN3CC(N)=O)n2)c1 72355716 WCOHFJFGKMKHDP-KRWDZBQOSA-N 310.401 1.998 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncnc3)n2)C1 72354397 UIQNJLIGUWMMPJ-LLVKDONJSA-N 319.390 1.073 0 40 DDAB COCCNc1c(C)c(C)nc2cc(-c3nccn3C)nn12 72338504 UMQXMBFTEMNKMI-UHFFFAOYSA-N 300.366 1.805 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2cncs2)c1 41096413 AVBIHGDGPIVTMV-UHFFFAOYSA-N 300.361 1.961 0 40 DDAB COc1ccccc1NC(=O)C[C@@H]1Cn2nc(C)nc2NC1=O 40386669 MWXIDWJRBLOEET-SNVBAGLBSA-N 315.333 1.192 0 40 DDAB CCCNC(=O)N1CCOC[C@H](Oc2ccc(OC)cc2)C1 85435994 FYMZOFIYETWSHO-OAHLLOKOSA-N 308.378 1.894 0 40 DDAB biogenic,in-vitro CS(=O)(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 48265221 ITWXGKMQVCEISI-UHFFFAOYSA-N 321.402 1.322 0 40 DDAB CC[C@@H]1CCCCN1CCNC(=O)c1cc(C)[nH]c(=NC)n1 330701135 ZAJJBTWTLBZTNW-CYBMUJFWSA-N 305.426 1.243 0 40 DDAB C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@H](Cc2ccccc2)C1 96494057 ZQMFOMBJXWCQBW-NUEKZKHPSA-N 304.390 1.817 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(-n2cccn2)n1 96449507 QLALEPJAFGHQCM-RDJZCZTQSA-N 320.352 1.655 0 40 DDAB CN(CCn1cnnc1)C(=O)c1ccccc1OC(F)(F)F 97230658 AXBZDKMTQFWDTC-UHFFFAOYSA-N 314.267 1.949 0 40 DDAB COc1cc(N2CC3(CCN(Cc4ccncc4)C3)C2)ncn1 96100138 YQQCVXMIRUIRDF-UHFFFAOYSA-N 311.389 1.593 0 40 DDAB CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccncc3)C2)O1 96052299 ICJZIWPIGQDQOU-IRXDYDNUSA-N 305.422 1.393 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1 96049750 VFBFJCSWWTUFIB-KRWDZBQOSA-N 319.405 1.033 0 40 DDAB O=c1[nH]c2c(cnn2Cc2ccccn2)cc1Br 95096544 LTYDZEALQPDJRZ-UHFFFAOYSA-N 305.135 1.930 0 40 DDAB O=C(CC1CC1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96226535 DVRJHTGWZIXZFQ-KRWDZBQOSA-N 316.405 1.475 0 40 DDAB CCOC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 242390282 AIFNAENWTBVKJZ-MJBXVCDLSA-N 301.383 1.460 0 40 DDAB CCc1nnsc1C(=O)N1CC[C@H](c2nc(C)cn2C)C1 257237541 HGZWXVLHCNODGC-JTQLQIEISA-N 305.407 1.772 0 40 DDAB CC(=O)N1CCC(c2cncc(N3C(=O)OC[C@H]3C)n2)CC1 257205209 AYBYPJFYKXKTAY-SNVBAGLBSA-N 304.350 1.548 0 40 DDAB Cc1cc(C)n2ncc(CN3CCO[C@@H](c4cnccn4)C3)c2n1 257322138 WESKWCOMTKRFTM-MRXNPFEDSA-N 324.388 1.710 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2cccn2C)n1 257307198 SXPQTGUUWAZXNA-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2ccncc2)n1 257260326 LCIKLCSWANDZTD-HNNXBMFYSA-N 311.389 1.911 0 40 DDAB Cn1nccc1C(=O)N1CC2(CO[C@@H](Cc3cccnc3)C2)C1 257278488 OCLONFNPFJTAIT-AWEZNQCLSA-N 312.373 1.289 0 40 DDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CC2(O)CCCCC2)[C@H]1O 257334999 YIGDDPUZLDIHMQ-IIAWOOMASA-N 321.421 1.457 0 40 DDAB COCC(=O)N1CC2(CCN(CC3CC3)CC2)C[C@]1(C)CO 257311480 UJQPQANTBKWRCQ-MRXNPFEDSA-N 310.438 1.108 0 40 DDAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2ccn(C)n2)ccn1 257286371 PLHYFWFUUTYPEL-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB CC(=O)N1CCC[C@@H]1c1cncc(CN2CCSCC2)n1 257228488 FUBSSNRKOFDZJR-OAHLLOKOSA-N 306.435 1.709 0 40 DDAB CO[C@@H](CNC(=O)C(=O)NCc1ccco1)c1ccsc1 96363976 NCBGVUAUCRFKFZ-LBPRGKRZSA-N 308.359 1.461 0 40 DDAB CNC(=O)CN1CCC[C@](COc2ccccc2C)(OC)C1 585274436 LCARUAYTWAYKAK-KRWDZBQOSA-N 306.406 1.601 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCc1nccnc1-c1ccncc1 585150670 WKFIERFXGFLRPU-UHFFFAOYSA-N 322.372 1.819 0 40 DDAB Cc1ncc(CN(C)Cn2nnn(-c3cccs3)c2=O)s1 44979306 LPJHTNSVZJOEIA-UHFFFAOYSA-N 322.419 1.345 0 40 DDAB CS(=O)(=O)c1nc(C(=O)N2CCCCC2)c2ccccn12 48275773 MEQDLPGMWQTJMO-UHFFFAOYSA-N 307.375 1.364 0 40 DDAB S=C(NCCN1CCOCC1)N1CCC[C@@H]2CCCC[C@H]21 57766969 NAEAYZQUIQLPND-LSDHHAIUSA-N 311.495 1.848 0 40 DDAB CN(C)C(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21 53061515 NFAOKECLSPALAA-UHFFFAOYSA-N 307.781 1.889 0 40 DDAB COCCNC(=O)NCc1cccc(OC[C@H]2CCCO2)c1 57413255 UYPJVPVQWXXZGC-OAHLLOKOSA-N 308.378 1.690 0 40 DDAB CC(C)N(Cc1cnn(C)c1)C(=O)c1ccnc(N(C)C)c1 56026383 MBSZOVLMGUXQAV-UHFFFAOYSA-N 301.394 1.932 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1Cn1cccn1 69893177 QVYWVAQQGPRZIE-LBPRGKRZSA-N 323.356 1.424 0 40 DDAB O=c1[nH]c(=O)n(C[C@@H](O)c2ccc(F)cc2F)cc1Cl 76091442 WEDMNXYGSRIEAA-SNVBAGLBSA-N 302.664 1.202 0 40 DDAB O=C([C@@H]1CCCN(c2ncccc2Cl)C1)N1CCOCC1 78433246 QWELVQVKVZSCFC-GFCCVEGCSA-N 309.797 1.810 0 40 DDAB COC(=O)[C@H](C)CNC(=O)Nc1cccc(CCOC(C)=O)c1 96013040 ZTMJMCOIUVJWRQ-LLVKDONJSA-N 322.361 1.723 0 40 DDAB Cn1ncc2c(N3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)ncnc21 579617017 LFJGKEQVWMPJFT-ZIAGYGMSSA-N 320.400 1.936 0 40 DDAB COCC[C@](C)(O)CNC(=O)c1ccccc1Br 174867313 BMTQZPZSZHFVMO-ZDUSSCGKSA-N 316.195 1.966 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cncn2C)CCO1 1615142948 WLNGMBQRQRBUND-SFHVURJKSA-N 315.417 1.535 0 40 DDAB CCOC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 5105318 HJPYVBXSWHAMMD-INIZCTEOSA-N 302.330 1.029 0 40 DDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)F 5242187 MVFZOKVEBOKBMW-IMSIIYSGSA-N 314.288 1.174 0 40 DDAB CO[C@@H]1C[C@@H](NC(C)=O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 5373093 GDYLYTADQGGFEF-LYYZXLFJSA-N 307.346 1.367 0 40 DDAB COC(=O)c1cc(Nc2nc(C)cc(=O)[nH]2)cc(C(=O)OC)c1 11903654 LZRFDRJVGYSVQU-UHFFFAOYSA-N 317.301 1.395 0 40 DDAB CCC1=C(C(=O)OC)[C@H](c2cn(C)nc2C)n2ncnc2N1 13960865 BUZLHKCHQOUYFU-LBPRGKRZSA-N 302.338 1.172 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(F)c1 15519928 NSUDDTTWJJWHDW-UHFFFAOYSA-N 304.325 1.549 0 40 DDAB CCOc1ccc(/C=C2\C(=O)N=C(N)N=C2N)cc1OCC 18126382 KLFYCKLRTAKFOE-YFHOEESVSA-N 302.334 1.080 0 40 DDAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19400167 KTKDWSHOSPOUOK-INIZCTEOSA-N 323.400 1.885 0 40 DDAB Cc1ccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 19946648 BUNDAYBNTWSAOY-UHFFFAOYSA-N 312.435 1.984 0 40 DDAB COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C)N2CCOCC2)cc1 22686297 YOBKTPNBLIQQQL-XKQJLSEDSA-N 318.417 1.841 0 40 DDAB CN(C)c1cccc(C(=O)N2CC(n3cc(C4CC4)nn3)C2)c1 585149199 WISWPHFBPXFLFD-UHFFFAOYSA-N 311.389 1.919 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)NC2CCC(F)(F)CC2)CC1 390831173 QGVFPQLPEREZHN-UHFFFAOYSA-N 324.393 1.352 0 40 DDAB CCc1nccn1CC(=O)N1CCO[C@H](c2ccnc(C)c2)C1 1848441912 BBGKDKZHHBQAIV-HNNXBMFYSA-N 314.389 1.749 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35284160 DQCPVFKYHLINHI-WFASDCNBSA-N 319.380 1.564 0 40 DDAB CCn1ncc(Br)c1C(=O)NC[C@H]1CCCO1 28576112 OJCLRWGEGNNWDY-MRVPVSSYSA-N 302.172 1.574 0 40 DDAB CN(CC(=O)OCCCCCC(=O)O)C(=O)CCCCCO 2060999776 IISULMZWZKHQPT-UHFFFAOYSA-N 317.382 1.186 0 40 DDAB CN(C)C(=O)CSc1nnc(COc2ccccc2)n1C 107030 KZEJFZZNZNQLFM-UHFFFAOYSA-N 306.391 1.574 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1 30671755 BRUJXIWBBIFMNC-UHFFFAOYSA-N 309.325 1.006 0 40 DDAB O=C(NCCOCCn1ccnc1)c1cccc2c1OCCO2 575619652 LINIZDYLOZWIOH-UHFFFAOYSA-N 317.345 1.101 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccccc2)s1 40461268 HTHRTEPXRPCURK-UHFFFAOYSA-N 324.427 1.863 0 40 DDAB CCOc1cc2c(cc1CNC(=O)Cn1cccn1)O[C@@H](C)C2 40476090 SXAMVYKLJRTUNJ-LBPRGKRZSA-N 315.373 1.922 0 40 DDAB CN(CCCNC(=O)c1cc(Cl)ccc1O)S(C)(=O)=O 40515430 XLJKZANMCVHTBC-UHFFFAOYSA-N 320.798 1.057 0 40 DDAB NC(=O)c1ccsc1NC(=O)CN(C[C@@H]1CCOC1)C1CC1 40539372 IMVRUBDKJGLCJD-JTQLQIEISA-N 323.418 1.286 0 40 DDAB O=C(Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1)c1ccco1 101000190 TVFDKUOJLUAXOL-UHFFFAOYSA-N 321.296 1.930 0 40 DDAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(C)=O)cc1 569407 UEYOMCUHTOZMSG-UHFFFAOYSA-N 324.431 1.743 0 40 DDAB Cc1nn(CC(=O)N[C@@H](C)c2ccncc2)c(=O)c2ccccc12 21302119 OWZPRDDEFNYHFD-LBPRGKRZSA-N 322.368 1.977 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1OC 8475971 RMIWGAUOGYCZKG-UHFFFAOYSA-N 300.380 1.132 0 40 DDAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1)C2 108527694 MXDDOZQEAAGJSQ-CRAIPNDOSA-N 300.402 1.994 0 40 DDAB O=C(Cc1ccccc1F)NC1CCN(c2ncccn2)CC1 32930102 GAEITDMBLUHEAF-UHFFFAOYSA-N 314.364 1.943 0 40 DDAB O=C(CNc1ccc(OC(F)(F)F)cc1)N1CCNC1=O 29902556 LLXMUZUYOIAJHW-UHFFFAOYSA-N 303.240 1.549 0 40 DDAB CCN1CC[C@@]2(CCCN(S(=O)(=O)C3CC3)CC2)C1=O 108532227 LGTOPTJESLUACW-CQSZACIVSA-N 300.424 1.203 0 40 DDAB Cc1ccnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 103595724 GMQYZSIGYNQVNE-TXEJJXNPSA-N 301.346 1.504 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](n2ccnc2)C1 69706690 ZFMJYBAHMJPFTJ-CZUORRHYSA-N 313.357 1.887 0 40 DDAB CCSc1nn2c(=O)cc(C(F)(F)F)[nH]c2c1C(=O)O 103584524 LGBUENPBKIJESO-UHFFFAOYSA-N 307.253 1.852 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1ccc(Br)cn1 52914964 RPURIWDPZNXSPB-ZCFIWIBFSA-N 318.196 1.780 0 40 DDAB O=C(C[C@H]1SC(NC2CC2)=NC1=O)NCc1ccccc1 8039988 XIEPMYGTNYSMNX-GFCCVEGCSA-N 303.387 1.443 0 40 DDAB CC(C)(CNC(=O)c1n[nH]c2ccccc12)N1CCOCC1 23408897 LCIWJLSYJIOAOL-UHFFFAOYSA-N 302.378 1.404 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@H]12 107202264 LDGKVCBORJFCCK-YESZJQIVSA-N 302.418 1.654 0 40 DDAB Cc1cnn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 54856471 UQDXMQFLRPSXQN-UHFFFAOYSA-N 302.353 1.679 0 40 DDAB COc1ccccc1[C@H](CNC(=O)Nc1nncs1)N(C)C 43130265 ZFFRPIXFBJSRIB-NSHDSACASA-N 321.406 1.971 0 40 DDAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(c2ccccn2)C1)C1CC1 55720115 CZCOXXXJJMZJIT-HZPDHXFCSA-N 316.449 1.754 0 40 DDAB CO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 107063602 YJKREVBHTXTQLF-BPLDGKMQSA-N 321.425 1.256 0 40 DDAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)NC(N)=O)cc1OC 55994905 AQSLWHRZCKHQJX-ZJUUUORDSA-N 309.366 1.246 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 66059295 VTXNECKRGPUNLB-UHFFFAOYSA-N 312.435 1.792 0 40 DDAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCOCC1 26226699 CRBLLUFXHMHXJZ-JTQLQIEISA-N 322.434 1.830 0 40 DDAB CCOC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 57023119 IPOGFHJKQDAEGB-UHFFFAOYSA-N 316.379 1.446 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)on1 76052601 YTESQHSSUQFDGD-JSGCOSHPSA-N 307.394 1.591 0 40 DDAB CS(=O)(=O)Nc1cc(C(=O)Nc2ncn[nH]2)ccc1Cl 58283186 PBHSUKWDVUVHHF-UHFFFAOYSA-N 315.742 1.082 0 40 DDAB CCn1ccnc1CN1CCN(C(=O)c2ccccc2O)CC1 111649608 CLIDKNHFSQKULJ-UHFFFAOYSA-N 314.389 1.567 0 40 DDAB O=C(Cc1cccc(F)c1)NCCNc1ncnc2[nH]cnc12 58289678 GDOVQJHXWYOYQU-UHFFFAOYSA-N 314.324 1.263 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 44909603 UKXKFWHOYLPYFH-YNEHKIRRSA-N 318.373 1.436 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCSCC1 44950587 IWKTXFVVETVNOC-CYBMUJFWSA-N 322.430 1.334 0 40 DDAB CCC[C@@H](C)N(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58379280 NKLNASMYBXZZCN-LLVKDONJSA-N 323.418 1.998 0 40 DDAB Cc1noc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)n1 28142703 IKXMMGKMQBKQLH-UHFFFAOYSA-N 305.338 1.525 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccccc21 36384659 KBYWSVIGZIUWGP-HNNXBMFYSA-N 323.352 1.464 0 40 DDAB Cc1c(C(=O)c2cccc3ccccc23)c(=O)n(C)c(=O)n1C 36357411 IGESCJGFQXWOPB-UHFFFAOYSA-N 308.337 1.777 0 40 DDAB COc1ccc([C@@H](C)NC(=O)CCn2cncn2)c(OC)c1 45242288 OXDSZVJPYLSSEW-LLVKDONJSA-N 304.350 1.563 0 40 DDAB Cc1nc(CNC(=O)N(C)Cc2ccc(C(N)=O)cc2)cs1 45342665 YLWGFEDIAXNMKW-UHFFFAOYSA-N 318.402 1.892 0 40 DDAB Nn1c(SCCN2CCCC2)nnc1-c1ccc(F)cc1 36646231 TULXRRZDTDHVFV-UHFFFAOYSA-N 307.398 1.986 0 40 DDAB O=C(NCCc1nnc2n1CCC2)[C@@H]1CCOc2ccccc21 76849641 INTFVWWKBWYOHA-CYBMUJFWSA-N 312.373 1.449 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)nn1 5026090 XLVAHDPVGHPJCH-UHFFFAOYSA-N 302.334 1.710 0 40 DDAB C[C@H]1C[C@H](OC(=O)CCNC(=O)Nc2ccccc2)C(=O)O1 39977671 JNXRBWMHSRMCFV-JQWIXIFHSA-N 306.318 1.445 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@@H]2Cn2cccn2)ccc1=O 69893111 VTCRMKKWCAUCFO-CYBMUJFWSA-N 315.377 1.155 0 40 DDAB Cc1cnn(CC(=O)NCCC(=O)N(C)Cc2ccccc2)c1 69566696 MQDUOOSLBVZRHF-UHFFFAOYSA-N 314.389 1.356 0 40 DDAB Cc1cc(OCC(=O)NCCCO)c2c(C)cc(=O)oc2c1 5324313 PEGMEEYHXUYHNE-UHFFFAOYSA-N 305.330 1.287 0 40 DDAB COCCNC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O 5352110 IIBGDSOPPDNQDH-UHFFFAOYSA-N 319.357 1.724 0 40 DDAB 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303.362 1.365 0 40 DDAB C[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)C[C@@H](C)O1 96494574 LHOCGKDSAHIYHV-HZSPNIEDSA-N 306.410 1.299 0 40 DDAB O=C(N[C@@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)CCO1 96420526 QECLGYKLLCJVCE-HZPDHXFCSA-N 304.390 1.183 0 40 DDAB CO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 71896819 SOYNKBJJXLXKMF-GOEBONIOSA-N 306.406 1.081 0 40 DDAB Cc1nn(C[C@@H](O)CN2CCC(C)CC2)c(=O)c2ccccc12 71825069 DABSJOLPCLJHNB-HNNXBMFYSA-N 315.417 1.798 0 40 DDAB CC(C)(C)CN(CC(F)(F)F)C(=O)[C@H]1CCS(=O)(=O)C1 71804230 KMFFPQFLOBQDAA-VIFPVBQESA-N 315.357 1.858 0 40 DDAB COCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 83888780 AJVRJOHDJHCDDS-CMPLNLGQSA-N 309.366 1.662 0 40 DDAB CCCN(C(=O)c1snnc1CC)[C@@H]1CCS(=O)(=O)C1 61052833 UJZLNCJQIAJHNJ-SECBINFHSA-N 317.436 1.140 0 40 DDAB COc1ncnc2c1CN(C[C@H](O)c1cc(F)ccc1F)CC2 97201803 VWDKQRLHEIGYPE-HNNXBMFYSA-N 321.327 1.855 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCn2cncn2)C1 84636466 LSTKAHWSIVAWBZ-KBPBESRZSA-N 323.441 1.903 0 40 DDAB 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CCOCCCNC(=O)Cn1ccc(=O)c2cc(F)ccc21 225752332 LDYJZIULAUXPOR-UHFFFAOYSA-N 306.337 1.683 0 40 DDAB COC(=O)[C@H]1CC(=O)N(c2ccc(NC(=O)C(C)C)cc2)C1 45953807 XBEJARIHKQSIHW-NSHDSACASA-N 304.346 1.807 0 40 DDAB CCNC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 41262791 XILSNAVSFSNOLG-UHFFFAOYSA-N 320.389 1.692 0 40 DDAB COc1ccnc(CN2CCCC[C@H]2Cn2ccnn2)c1OC 225598270 READUZLBTIFLET-ZDUSSCGKSA-N 317.393 1.745 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccsc3)C2)n1 225402344 KANPQPJWQWIICH-LBPRGKRZSA-N 318.402 1.898 0 40 DDAB CC(C)(C)C1=CCN(CCNC(=O)c2ccc(O)nn2)CC1 329903221 IEBSQXANKNQALT-UHFFFAOYSA-N 304.394 1.590 0 40 DDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CCCC1 225882418 LVJRKRWYHLYQAG-UHFFFAOYSA-N 303.409 1.083 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)Cc2cccs2)C1 225807356 PMHXWGHLFXZEBD-NSHDSACASA-N 319.386 1.769 0 40 DDAB CC(C)(C)OC(=O)CN[C@@]1(C)CCN(C(=O)c2ccco2)C1 225670120 VPKABQRSOHOUMI-INIZCTEOSA-N 308.378 1.816 0 40 DDAB CCCCCS(=O)(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 195562776 TUYVMXCSFRCBNS-AWEZNQCLSA-N 315.439 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318.373 1.499 0 40 DDAB COc1c(C)cc(C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)cc1C 263259124 JFYQGSFPMJNAFU-OCCSQVGLSA-N 321.373 1.922 0 40 DDAB O=S1(=O)CC[C@@H](NC(=S)Nc2ccc3ncccc3c2)C1 575424461 LIXNQXQXVVADTI-GFCCVEGCSA-N 321.427 1.708 0 40 DDAB OC1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585284335 HJKPEUWIWFZHGV-GVDBMIGSSA-N 309.381 1.943 0 40 DDAB CO[C@@H]1CCN(Cc2ccc3ccccc3n2)C[C@H]1CC(N)=O 585277945 YARRYFZDJAZYCM-RHSMWYFYSA-N 313.401 1.947 0 40 DDAB CC1(C)C[C@]2(CCCN2C(=O)c2ccncc2)[C@H](CC(N)=O)O1 585287883 GNRPILPZTJPYKC-SUMWQHHRSA-N 317.389 1.499 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)C1=CCCC1)[C@@H](C)C2 585098641 VYRXVVOHFHRBHF-LBPRGKRZSA-N 304.394 1.698 0 40 DDAB CN(C)c1nc([C@H]2CCCN(S(C)(=O)=O)C2)cn2cccc12 585178772 WXHDYMXTEFQSCH-LBPRGKRZSA-N 322.434 1.539 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585288556 DOQFXCFCOGCLTQ-INIZCTEOSA-N 306.362 1.575 0 40 DDAB Cc1ccc(OC[C@@]2(O)CCN(CC3(O)CCOCC3)C2)cc1 585278630 UTISUHXKOOPRES-GOSISDBHSA-N 321.417 1.352 0 40 DDAB CCC(=O)N1CC[C@H](NCc2nnn(C(C)(C)C)n2)[C@@H](C)C1 1035864023 DYBMDLZXVVUETQ-RYUDHWBXSA-N 308.430 1.165 0 40 DDAB O=C(CCN1CCO[C@@H](Cn2cccn2)C1)NC1CCCCC1 69487186 RUKJIQAWGQPEQI-MRXNPFEDSA-N 320.437 1.423 0 40 DDAB CC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CCO1 69440844 KKYHJKQWIIMDKZ-DLBZAZTESA-N 316.401 1.597 0 40 DDAB COCCOc1ccc(NC(=O)NCC2(O)CCCCC2)cn1 62639957 DSNZOAHMQITAPS-UHFFFAOYSA-N 323.393 1.924 0 40 DDAB O=C(c1cccc2c1OCCO2)N1CCC[C@H]1Cn1cccn1 69740670 ISRQWOBVDNBKPQ-ZDUSSCGKSA-N 313.357 1.959 0 40 DDAB CN1CC[C@@H](C(=O)Nc2nccn2Cc2ccccc2)CC1=O 95954034 VQTQEQDCXWHZOK-CQSZACIVSA-N 312.373 1.738 0 40 DDAB CCc1nc([C@H]2CCCN2Cc2cc(=O)n3nccc3[nH]2)no1 101025816 MYPNMQAQEARSFQ-LLVKDONJSA-N 314.349 1.305 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N2CCC(c3ccn[nH]3)CC2)C1 84697549 BCYREBRAWCJTSW-LBPRGKRZSA-N 312.439 1.566 0 40 DDAB CN1C(=O)CN(C2CCN(C(=O)CCC(F)(F)F)CC2)C1=O 669746612 YIBLBOSOLCRZLG-UHFFFAOYSA-N 321.299 1.214 0 40 DDAB Cc1cc2c(cc3c(=O)n(CC(=O)NC4CC4)nc(C)n32)s1 12115341 MAHQMXVZBJFZDA-UHFFFAOYSA-N 316.386 1.606 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3c(C)noc3C)C2)nn1 225426686 GDJNWAVNLKTLKG-LBPRGKRZSA-N 302.334 1.683 0 40 DDAB O=C(Nc1ccc(SCCN2CCOCC2)nn1)C1CC1 13702007 VPWYAPPBKSSVOG-UHFFFAOYSA-N 308.407 1.249 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)c(Cl)c1 570199064 KMTHVCIVUMLOKG-ZDUSSCGKSA-N 321.808 1.963 0 40 DDAB O=C(c1ccco1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 6538288 ULENFISYGUCYAB-UHFFFAOYSA-N 324.340 1.754 0 40 DDAB CN(c1ccccn1)C1CCN(C(=O)NC2CCOCC2)CC1 1889118434 PPABGIDENKWCHX-UHFFFAOYSA-N 318.421 1.871 0 40 DDAB Cc1nc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)no1 1849314919 LPOPXIRAAJXDGF-UHFFFAOYSA-N 322.800 1.922 0 40 DDAB CN1CCO[C@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@H]2C1 1565545841 QMUHHAZSMRJLSS-GWCFXTLKSA-N 311.332 1.153 0 40 DDAB CCC(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 427776 IMZMUJCGHNJHBV-UHFFFAOYSA-N 304.346 1.614 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1cccs1 10255936 VKRBSHGKPCQWLP-AWEZNQCLSA-N 300.383 1.995 0 40 DDAB Cn1cc(-c2cc(CNC(=O)c3cncc(F)c3)ccn2)cn1 575619541 VQKCGYHDCCPXAP-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB Cc1nnc(CN2CCC[C@H](COc3nccs3)C2)n1C 2298180914 CZCGFDMCEQAVRY-LBPRGKRZSA-N 307.423 1.871 0 40 DDAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 16031594 QKTGECBOBFPOAE-BPQIPLTHSA-N 318.417 1.849 0 40 DDAB biogenic CCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)c(C)c2)cn1 96468320 FNVGMBSNYBBELT-UHFFFAOYSA-N 321.402 1.545 0 40 DDAB CC(C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 230210419 BOOOEVQTMVKNGI-GJZGRUSLSA-N 304.390 1.168 0 40 DDAB O=S(=O)(CCn1nnc2ccccc21)NCC1CCCCC1 40017334 QBCUHIGTQBQOAB-UHFFFAOYSA-N 322.434 1.931 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)NCCNc1ncccn1 50156704 WNKIQUOVQHMZKG-LLVKDONJSA-N 305.407 1.880 0 40 DDAB NC(=O)c1ccsc1NC(=O)CN1CCOc2ccccc21 30594368 NJUQZCSBQUHWIV-UHFFFAOYSA-N 317.370 1.685 0 40 DDAB Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 40468044 SXQKJUGNGSZQTQ-CYBMUJFWSA-N 319.386 1.098 0 40 DDAB Cc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1 40536319 ITGIWVSXHCSRPX-HNNXBMFYSA-N 306.406 1.993 0 40 DDAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(O)nn1 31935002 XYCNOBBUFLICEL-UHFFFAOYSA-N 313.357 1.660 0 40 DDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccccc1 60305 NRKXAVULMYQWDF-XJIUQZFPSA-N 320.341 1.072 0 40 DDAB CN1C(=O)N=C(O)/C(=C2\C[C@H](c3ccc(Cl)cc3)NN2)C1=O 17028756 AKLBMHMKNFJCDL-ZAGORRGESA-N 320.736 1.682 0 40 DDAB O=C(CC[C@@H]1NC(=O)NC1=O)Nc1cccc2c1CCCC2 32033507 BDJHHUXJFMWYKB-ZDUSSCGKSA-N 301.346 1.492 0 40 DDAB CCc1cc(NCCN2C[C@H](C)O[C@H](C)C2)n2ncnc2n1 51651908 ZEDZFAXBHAUWAO-TXEJJXNPSA-N 304.398 1.208 0 40 DDAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 359982 VROWYRYYUVDMRE-UHFFFAOYSA-N 306.435 1.661 0 40 DDAB Cn1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 32759801 XKQPGLKVVKDSDV-NSHDSACASA-N 318.402 1.973 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(F)c1 6999930 YMICPXHQBCGXLQ-UHFFFAOYSA-N 323.299 1.768 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 41131531 JBEBJWDZFLJLNH-VIFPVBQESA-N 301.173 1.870 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1OCC 8478826 OCVQADDRCUBXMJ-LLVKDONJSA-N 317.407 1.797 0 40 DDAB COC(=O)Cc1c(C)c2ccc(OCC(C)=O)cc2oc1=O 488657 GUTJOSVGVKUWBC-UHFFFAOYSA-N 304.298 1.785 0 40 DDAB biogenic CCn1ncc(NC(=O)[C@H](C)n2ncc(Cl)c2C)c1C(N)=O 2778071 UQBBYCLNSVEHRH-QMMMGPOBSA-N 324.772 1.360 0 40 DDAB NC(=O)C1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 33029254 RVJODFKJDYKKJM-UHFFFAOYSA-N 317.418 1.762 0 40 DDAB CCN1CCCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 69663235 JGGJNNIPNLYQDX-XJKSGUPXSA-N 304.390 1.769 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2cccnc2)n1 69624580 XCAIXTFJIAHIEX-OAHLLOKOSA-N 314.393 1.393 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)C1 53894848 OCPNQKAKFPNXPN-JTQLQIEISA-N 303.293 1.428 0 40 DDAB C[C@H]1C(=O)N(CC(=O)NCC2CC2)C(=O)N1c1ccc(F)cc1 42245639 UKBFUVGWUQNKKP-JTQLQIEISA-N 319.336 1.509 0 40 DDAB O=C(NCCNc1ncccn1)C1C[C@@H]2CCC[C@H](C1)C2=O 47104523 FLBKAEGPGWMPJQ-FUNVUKJBSA-N 302.378 1.400 0 40 DDAB Cn1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1=O 47484667 KEBRBJGJLCQFQL-UHFFFAOYSA-N 320.732 1.834 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2CC[C@H]1[C@H]2OCCN1CCCC1 107806772 NBGFHZAZGYBMMN-KBMXLJTQSA-N 303.406 1.730 0 40 DDAB C[C@H](C(=O)N1CCCCCC1)N1CCN(c2cnccn2)CC1 42633100 VKHVQZQICAHAQM-OAHLLOKOSA-N 317.437 1.390 0 40 DDAB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101910660 KWBXEOTZQGMCDJ-TXEJJXNPSA-N 308.359 1.014 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 25218669 JSEJDAGMUMGCKY-HOTGVXAUSA-N 322.380 1.182 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCc1ccco1 3237744 UUWTWDHHWNDFIU-UHFFFAOYSA-N 317.297 1.524 0 40 DDAB CS(=O)(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2 44024703 CYVOEXATVMOQAH-UHFFFAOYSA-N 314.451 1.258 0 40 DDAB C[C@@H]1CCC[C@H](NCC2(S(C)(=O)=O)CCOCC2)[C@@H]1C 96004759 IZFYMQLSVWBDAP-MCIONIFRSA-N 303.468 1.995 0 40 DDAB CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 96009708 UJUSIFSNVDMQBB-ZFWWWQNUSA-N 309.454 1.480 0 40 DDAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(N)=O)cnc21 57428322 ASNIPARZHKXFDV-UHFFFAOYSA-N 317.736 1.029 0 40 DDAB C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc21 69779119 QNQYUXCBDKFCJH-OCCSQVGLSA-N 311.389 1.160 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)CCO1 48029968 MHIVDOQSXCWZIS-RYUDHWBXSA-N 324.812 1.594 0 40 DDAB CCOC(=O)N1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 23230540 FEIBIKYPLZOHHB-OAHLLOKOSA-N 322.405 1.509 0 40 DDAB Cc1cccc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 57930164 DKESYGXIZJGIQS-NSHDSACASA-N 322.352 1.910 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1 58016420 IXXOGMPQOWMACA-LBPRGKRZSA-N 303.362 1.954 0 40 DDAB Cc1nc(Cn2c(NC[C@H](C)O)nc3ccccc32)n(C)n1 44944408 MDAMLJSNYOGESE-JTQLQIEISA-N 300.366 1.314 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2ccccc2C)CC1 58324968 FGGCPKOVOGCIFW-CYBMUJFWSA-N 318.421 1.715 0 40 DDAB Cc1cc(C(=O)NCc2ccccc2N2CCOCC2)no1 58417433 SLDLZCUJPFWZCG-UHFFFAOYSA-N 301.346 1.750 0 40 DDAB CC(C)(C)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10910121 YVIUZHNEIOJDEO-UHFFFAOYSA-N 304.268 1.581 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(F)c(C(N)=O)c1 62389236 QWGFQTOYCGFQTN-RKDXNWHRSA-N 324.356 1.349 0 40 DDAB O=C(CN1CCOCC1)NCCc1nc2ccccc2s1 12896017 LPDKMGBCVXIPFF-UHFFFAOYSA-N 305.403 1.287 0 40 DDAB Cc1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1 3417594 JDGNBLHYAIZOMA-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB Cc1cccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 12993570 MACMUIDLYMKXNK-UHFFFAOYSA-N 310.361 1.813 0 40 DDAB O=C(CSc1nnnn1-c1ccccc1)NC[C@H]1CCCO1 3504195 USHSBAWKYDNZIW-GFCCVEGCSA-N 319.390 1.050 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)c2ccccc2)C1=O 3597145 SCLMMFSCCLLZJH-ZDUSSCGKSA-N 303.362 1.616 0 40 DDAB O=C(NCCCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 13006959 MKKCCSGLDWEMFZ-CQSZACIVSA-N 311.403 1.144 0 40 DDAB CN(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1C1OCCO1 69594364 IYYFJQAQTNFQAU-MRXNPFEDSA-N 318.417 1.872 0 40 DDAB CNC(=O)[C@@H]1CCCN1CC(=O)Nc1cc(C)ccc1OC 69571534 STNCCBGPFSOTIJ-ZDUSSCGKSA-N 305.378 1.153 0 40 DDAB O=C1CC[C@H](C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)N1 4195115 HMFWWUKETBSSFG-CQCMJFKXSA-N 305.374 1.594 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)n1 69876961 BFTVQXJTIKPXSE-LBPRGKRZSA-N 320.422 1.394 0 40 DDAB Cc1cc(N2CCN(C[C@@H](O)c3ccccc3)CC2)nc(N)n1 69842854 NHSRWMLIEPFZKI-OAHLLOKOSA-N 313.405 1.223 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(OCC)cc2)nn1 5026081 HGFFFUFYLDGEIS-UHFFFAOYSA-N 318.333 1.492 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 8707719 TZTIHSSXKGNJLZ-AWEZNQCLSA-N 315.373 1.292 0 40 DDAB NCCc1nc(NCCN2CCCOC2=O)c2ccccc2n1 65403547 BCSAFBMPBRBWDK-UHFFFAOYSA-N 315.377 1.385 0 40 DDAB NC(=O)Cn1cc(NC(=O)N2CCC[C@H]2C2CCCCC2)cn1 65427791 XVXZZZOVMKKEBP-AWEZNQCLSA-N 319.409 1.945 0 40 DDAB CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 4731937 QDBBUAXXESNLFT-CYBMUJFWSA-N 320.389 1.591 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(Br)o2)C1=O 408589797 FPFOTPNWVDPEEW-ZZXKWVIFSA-N 315.079 1.019 0 40 DDAB C[S@](=O)c1nncn1-c1ccc(S(=O)(=O)C(F)F)cc1 92653943 AAOFZIRSEKKKIK-LJQANCHMSA-N 321.330 1.001 0 40 DDAB O=C(Nc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 7666833 NOWULWSBZRSWES-UHFFFAOYSA-N 303.343 1.123 0 40 DDAB CNC(=O)NC(=O)[C@@H](SC(=S)N(C)C)c1ccccc1 7737427 ZOHYLBJFVSOAKW-JTQLQIEISA-N 311.432 1.763 0 40 DDAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ncn[nH]1 7735222 VSTTYZOFIRLGRB-UHFFFAOYSA-N 317.378 1.316 0 40 DDAB COc1ccc(NC(=O)C[C@H](CN2CCOCC2)C(=O)O)cc1 71279339 MBJBLDGWQPVVOV-GFCCVEGCSA-N 322.361 1.057 0 40 DDAB CC(C)OCc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 8191470 APVZFZKGKDIRKE-UHFFFAOYSA-N 304.390 1.949 0 40 DDAB CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 81628599 OXLMRKAUOOPOCF-LLVKDONJSA-N 315.377 1.923 0 40 DDAB CSc1nsc(N/C=C2/C(=O)NC(=O)c3ccccc32)n1 16719554 WLEJNLHPPNGMMZ-RMKNXTFCSA-N 318.383 1.983 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccs1 96305640 KPINENMHBDBHJW-CHWSQXEVSA-N 320.414 1.930 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)on1 71872783 AXKDHBUVDKDRFE-LBPRGKRZSA-N 303.318 1.497 0 40 DDAB CC(C)(CNC(=O)CC1=CCCCC1)N1CCS(=O)CC1 71907632 LYNUZOUGZUZHSR-UHFFFAOYSA-N 312.479 1.836 0 40 DDAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 72272375 VVNMTPOUNIIPKD-ZWNOBZJWSA-N 303.366 1.850 0 40 DDAB Cc1nnc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n1C 72281842 OCEHCDQUWMDAKF-CYBMUJFWSA-N 317.324 1.072 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N1CCC(CO)CC1)C2 72254826 RKODQMUYONIJHK-CQSZACIVSA-N 320.389 1.413 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 72235384 SEVRTOYDIGAHEY-CQSZACIVSA-N 315.377 1.071 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)C1=NN(C(C)C)C(=O)CC1)C2 72271693 BBEUHJBHAXDAIQ-LBPRGKRZSA-N 317.393 1.009 0 40 DDAB Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(C)s2)n1 97098156 VWQYSNQOIGSQEE-GFCCVEGCSA-N 307.375 1.891 0 40 DDAB O=C(c1ccccc1F)N1CCN(CCC2OCCO2)CC1 97094925 DCRVLNDQCIQSNO-UHFFFAOYSA-N 308.353 1.347 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 84205386 UJTIFYFPEIORAL-CABCVRRESA-N 308.447 1.657 0 40 DDAB Cc1cc(C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)n(C)n1 97109395 QZMKSHAWLACNRV-UHFFFAOYSA-N 301.281 1.356 0 40 DDAB CC(C)[C@H](CNC(=O)Nc1ccncc1F)N1CCN(C)CC1 97135986 SMMHAYBBLADXLS-HNNXBMFYSA-N 323.416 1.614 0 40 DDAB CN1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1=O 75723768 SDDHDSNMWPLVBE-DOTOQJQBSA-N 309.369 1.766 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1cccc3c1OCCO3)CC2 72302415 JLEVNJLOIGDQPC-UHFFFAOYSA-N 313.357 1.110 0 40 DDAB CCCn1cc(NC(=O)CN(C)c2ncnc3[nH]cnc23)cn1 76066767 KAZNNEFZCTZXCQ-UHFFFAOYSA-N 314.353 1.034 0 40 DDAB CC(C)c1cnc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)o1 72675315 BSZDQNPHMRQAJO-GFCCVEGCSA-N 316.361 1.649 0 40 DDAB CCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1 84790990 DJJFROZEFYEXSF-GFCCVEGCSA-N 314.389 1.271 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)s1 95442366 MCSQMRDUTWSGSL-CHWSQXEVSA-N 324.427 1.697 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCC([C@@H](O)C(F)(F)F)CC1 95967094 XIIPNNURHIRLDR-GHMZBOCLSA-N 310.316 1.510 0 40 DDAB O=C(NCC1(O)CCC1)N1CCC[S@@](=O)c2ccccc21 95964326 LWLBFAGSVGRJKQ-NRFANRHFSA-N 308.403 1.629 0 40 DDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CC(=O)N(C)C1 95956396 RAQHUFVCSKDQDM-TZMCWYRMSA-N 301.390 1.032 0 40 DDAB Cc1cc(C(=O)N2CCOCC2)ccc1NCc1nccn1C 95982012 OEGKXOXYDYHQIX-UHFFFAOYSA-N 314.389 1.813 0 40 DDAB O=C(NC(C1CC1)C1CC1)[C@@H]1CSCN1C(=O)C1CCC1 89598014 HHHWFZWRNUPZSR-ZDUSSCGKSA-N 308.447 1.993 0 40 DDAB C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)C1CC1 61976394 PUJSUBCKJGMCHD-HNNXBMFYSA-N 311.403 1.128 0 40 DDAB Cc1ccc([C@@H]2NNC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1 409063624 AHTNMATUCQKXPB-HOTGVXAUSA-N 309.369 1.778 0 40 DDAB Cc1ccc(OCC(=O)N(CC(N)=O)C2CCCC2)cc1C 36398502 OFUUUBCSASBJHW-UHFFFAOYSA-N 304.390 1.939 0 40 DDAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3C)n2)c1 35425068 FXZSTTZAKOEKHI-ZDUSSCGKSA-N 304.350 1.924 0 40 DDAB biogenic,in-vitro O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1ccco1 32124157 QTMYCWVOYOWSLC-ZDUSSCGKSA-N 313.313 1.686 0 40 DDAB biogenic Cc1cc2c(cnc3ncnn32)c(=O)n1NC(=O)c1ccccc1 38784032 WPJAMPNFFAUAFB-UHFFFAOYSA-N 320.312 1.132 0 40 DDAB Cc1cc(N2CCC[C@@H](O)C2)n2nc(-c3nccn3C)cc2n1 72338485 IAXUYEVPXMOOQU-GFCCVEGCSA-N 312.377 1.399 0 40 DDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccco3)o2)CC1 72243253 LTGPBTILZAUQKV-UHFFFAOYSA-N 324.358 1.257 0 40 DDAB Cc1cc2c(NCCC(=O)NCCN(C)C)ncnc2s1 31868876 WANSUOZRVNPAFC-UHFFFAOYSA-N 307.423 1.480 0 40 DDAB Cc1nc([C@@H]2CCN(CCc3ccccc3)C2)ncc1C(N)=O 72351984 OQWVOKZSASKAQB-OAHLLOKOSA-N 310.401 1.916 0 40 DDAB CN(CC1CCN(C(=O)CN)CC1)C(=O)OCc1ccccc1 79412347 RKQQIBOAWMNZBD-UHFFFAOYSA-N 319.405 1.452 0 40 DDAB CCN1CCN(C(=O)c2cc(C)nc(N3CCCC3)n2)CC1 72241142 FDIKJPOYEPYBQG-UHFFFAOYSA-N 303.410 1.163 0 40 DDAB COC(=O)c1nn(CC(C)C)cc1I 72339415 NJZQCTHUGAWOOY-UHFFFAOYSA-N 308.119 1.930 0 40 DDAB CC1CCN(Cc2nnc(CN3CCC(C)CC3)n2N)CC1 225148758 BXKIFYYEOAOKIQ-UHFFFAOYSA-N 306.458 1.456 0 40 DDAB Cc1cc(O[C@@H]2CCN(C(=O)Cc3cccnc3)C2)nc(C)n1 606440826 HVWIEVXJZVWPAA-OAHLLOKOSA-N 312.373 1.711 0 40 DDAB CN1CCC[C@](O)(CN2CCN(c3ccccc3Cl)CC2)C1 46087338 PGGAEPPWHFJWHW-QGZVFWFLSA-N 323.868 1.919 0 40 DDAB C[C@@H](O)c1ccc(CCNS(=O)(=O)c2cnoc2)s1 225689374 LOOVAJSXMQUAFC-MRVPVSSYSA-N 302.377 1.310 0 40 DDAB O=S(=O)(NCC1(O)Cc2ccccc2C1)c1cccs1 225715983 BWEMFWOJIHKNAZ-UHFFFAOYSA-N 309.412 1.556 0 40 DDAB Cn1nccc1-c1cccc(S(=O)(=O)CCCC(=O)O)c1 572781594 VTNNUXPHKHXXMD-UHFFFAOYSA-N 308.359 1.726 0 40 DDAB CCCCc1cc(=O)[nH]c(N2CCN(C(=O)OCC)CC2)n1 41604392 NIFOJJGTGMXSKJ-UHFFFAOYSA-N 308.382 1.391 0 40 DDAB CNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 224892680 SOLJVEHJSDMLOH-UHFFFAOYSA-N 302.421 1.911 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(c1ncc(F)cn1)C2 96159189 IGLQBPKCNHFZPW-CZUORRHYSA-N 313.336 1.866 0 40 DDAB COc1cccc(C2(NC(=O)C[C@@H]3CSCCN3)CC2)c1 195544111 BABFYFNCMMOWAH-CYBMUJFWSA-N 306.431 1.896 0 40 DDAB COC[C@H]1CN(C(=O)N[C@H](C)Cc2cccc(F)c2)CCO1 96440398 ZNZWYIFJDLVLIQ-IUODEOHRSA-N 310.369 1.814 0 40 DDAB Cc1cc(C)n(C[C@@H](C)NC(=O)NC[C@](C)(O)c2ccco2)n1 96439318 PSGYCOUEHCCVOR-WBMJQRKESA-N 320.393 1.688 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 96042704 UWPAHGLIZQFTTB-GVDBMIGSSA-N 318.417 1.429 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1cn(C)nc1-c1ccncc1)CC2 97199371 GJZKWIJVRKRXJU-HNNXBMFYSA-N 323.404 1.487 0 40 DDAB Cc1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)NC3CC3)C2)nn1 96064858 XWPFLVKSLYJKTQ-CZUORRHYSA-N 302.378 1.049 0 40 DDAB Fc1ccc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)cc1 247531855 PALNWLICXHTRDF-KURKYZTESA-N 320.408 1.890 0 40 DDAB O=C(NC[C@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCCC1 257292693 QMOXUHOQDHHMIP-QGZVFWFLSA-N 321.396 1.858 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)CC3CCOCC3)CCO2)n1 257211831 CAPXDJRQJWRLHN-AWEZNQCLSA-N 305.378 1.380 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc3ccccc3n2)CCO1 257332993 XZPIUOQFYZOXRQ-KRWDZBQOSA-N 313.357 1.212 0 40 DDAB CCc1cc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 257228316 FTJNAPDKAYTNTQ-FVQBIDKESA-N 316.357 1.938 0 40 DDAB CS(=O)(=O)N(CC(=O)O)Cc1ccccc1Br 298094937 QYJUNLFYKIUWEV-UHFFFAOYSA-N 322.180 1.295 0 40 DDAB CCCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575405106 RBGXDETZJJMEIR-RRFJBIMHSA-N 317.389 1.085 0 40 DDAB CCCN(CCCc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O 585290521 FCFAQFHUQFSDPV-KURKYZTESA-N 307.434 1.699 0 40 DDAB COc1ccc(CN(C)C(=O)[C@H]2CCN(C)C(=O)C2)c(OC)c1 44291340 YZNWEUDDUQQBIJ-LBPRGKRZSA-N 320.389 1.531 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 43931853 DHXABXQHGSDMOY-MRVPVSSYSA-N 320.349 1.708 0 40 DDAB CCc1noc(Cn2c(NC[C@@H](C)O)nc3ccccc32)n1 69161168 QTFXBMKZCZZOAZ-SNVBAGLBSA-N 301.350 1.823 0 40 DDAB O=C(NCc1ccccc1-n1ccnc1)NC[C@@H]1CCC[C@@H]1O 73865644 VMOVNFIUDKHIQH-HOCLYGCPSA-N 314.389 1.833 0 40 DDAB Cn1nc(C(F)(F)F)cc1CNC(=O)[C@H]1NCC12CCCC2 1579991913 BJKICMFKQKBGRZ-LLVKDONJSA-N 316.327 1.587 0 40 DDAB CC1([C@@H]2CCCN(C(=O)NCCn3cccc3)C2)OCCO1 97086359 VUKATZVPNQPLEQ-CQSZACIVSA-N 307.394 1.673 0 40 DDAB CSC1=Nc2cc3c(cc2C(=O)N2C[C@H](O)C[C@@H]12)OCO3 5760006 JWOZBJCNLXEDAC-XCBNKYQSSA-N 306.343 1.397 0 40 DDAB C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 12345625 YJBMESSSMLPELD-ISVAXAHUSA-N 321.764 1.171 0 40 DDAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC(C)(C)C)no1 15673404 IITUPEQWRYZAFR-STQMWFEESA-N 323.437 1.894 0 40 DDAB biogenic,in-vitro CCc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)O)C2=O)cc1 16899743 PUJWAGRQEUXYHG-NWDGAFQWSA-N 322.386 1.026 0 40 DDAB Cc1ccc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1 36397694 AGXJAMXYRYTXEK-UHFFFAOYSA-N 323.326 1.275 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CC(Oc2cccnc2)C1 238811504 AKOGBLMPTKTSEZ-MRXNPFEDSA-N 312.325 1.511 0 40 DDAB O=C(N[C@@H]1CCn2nccc2C1)c1cc(-c2cccnc2)on1 245026593 NBZANVAKTIQLBR-GFCCVEGCSA-N 309.329 1.678 0 40 DDAB CN1C[C@H]2CN(C(=O)Cc3cccc(F)c3)CC[C@@H]2OCC1=O 2037985194 AHARFXXZTBYRHA-ZFWWWQNUSA-N 320.364 1.074 0 40 DDAB O=C(O)CC1(N2C[C@@H]3CCN(CC4CC4)C(=O)[C@H]3C2)CCC1 1565548998 KZZZBVWZLCEHFK-KBPBESRZSA-N 306.406 1.574 0 40 DDAB CCC(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1 9824506 XIXOEOFQXKRZHU-UHFFFAOYSA-N 313.404 1.895 0 40 DDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)NCCc2ccccc2)C1=O 17244012 DVJVPDNOTMZVDV-TXEJJXNPSA-N 320.414 1.224 0 40 DDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)c3cc(C)cs3)C[C@H]2O1 2055714756 QGIUFDFXKUKKRU-QJPTWQEYSA-N 308.403 1.422 0 40 DDAB Cc1ccc(CNC(=O)COc2cc(=O)n3ccccc3n2)cc1 23141322 RODXNRZDYHOISS-UHFFFAOYSA-N 323.352 1.698 0 40 DDAB Nc1c2c(nn1CC(=O)NCCc1ccccc1)CSC2 26422021 GYPQLHGJERFMOJ-UHFFFAOYSA-N 302.403 1.571 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2cc(C3CC3)on2)CC1 2086865377 ROIUWNWCVHGECS-ZDUSSCGKSA-N 320.437 1.583 0 40 DDAB COCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cn1 40512051 KYLURZXCGZUDBD-LBPRGKRZSA-N 321.377 1.302 0 40 DDAB Cc1noc(CNC(=O)NC2[C@H]3CCC[C@H]2CN(C2CC2)C3)n1 100729803 HNANFGCOUTWFPY-RYUDHWBXSA-N 319.409 1.440 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccccn2)s1)C(C)C 40553998 FZDOEQHJGPWGBV-LLVKDONJSA-N 319.390 1.699 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CN3CCC[C@H](O)C3)c2cc1C 51091050 JELKTQZQPVMUHF-GJZGRUSLSA-N 303.406 1.471 0 40 DDAB OC[C@H]1CCCN(c2cc(NCC3(O)CCCCC3)ncn2)C1 91477641 MZHQSDMMZNACKZ-AWEZNQCLSA-N 320.437 1.792 0 40 DDAB COc1ccc(C)cc1-n1nnnc1SCc1nnc(C)o1 69607361 LXTBJXRMZQXDDK-UHFFFAOYSA-N 318.362 1.963 0 40 DDAB Cc1cc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)on1 46177769 JDAUQHKJDNDPAX-CQSZACIVSA-N 307.394 1.586 0 40 DDAB O=S(=O)(C[C@@H](O)c1ccccc1)C[C@@H](O)c1ccccc1 1751484 LCYLPHIZRTWPLF-HZPDHXFCSA-N 306.383 1.868 0 40 DDAB O=C(NCCc1cn2ccccc2n1)[C@H]1CC(=O)N(C2CC2)C1 29609753 BLXUNAAFBLHKBB-LBPRGKRZSA-N 312.373 1.004 0 40 DDAB CCOC(=O)c1[nH]nc2c1C(=O)N(c1ccc(F)cc1)C2=O 101397741 QAECTGAHQSNGTR-UHFFFAOYSA-N 303.249 1.526 0 40 DDAB Nc1c(C(=O)NCc2cccs2)nnn1-c1ccccc1F 4984484 BHWACNQDUCXELH-UHFFFAOYSA-N 317.349 1.980 0 40 DDAB O=S(=O)(O)c1[nH]c2ccccc2[n+]1Cc1ccc(F)cc1 6197331 PGDLJWARXGYNEX-UHFFFAOYSA-O 307.326 1.890 0 40 DDAB COC(=O)c1ccc(COC(=O)[C@@H]2COc3ccccc3O2)o1 2641231 PAUZJTCQUFAKHR-AWEZNQCLSA-N 318.281 1.949 0 40 DDAB COCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 11970621 FAXJAWLLSYSUMR-UHFFFAOYSA-N 319.342 1.726 0 40 DDAB C[C@H](C(=O)N1CCCN(Cc2cscn2)CC1)n1cncn1 69664519 TUCGTTZWBAGUNH-GFCCVEGCSA-N 320.422 1.030 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)o1 32940474 ZEGAGYQJGOIWCI-SNVBAGLBSA-N 320.370 1.779 0 40 DDAB NC(=O)[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 52393913 AHRYMLVCYWXVAR-MRVPVSSYSA-N 322.308 1.292 0 40 DDAB CS[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 69492714 SNQNMTWBHJIIHS-SMDDNHRTSA-N 306.431 1.744 0 40 DDAB CSCC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 53377072 UOISOSPAVNWXHZ-UHFFFAOYSA-N 304.297 1.727 0 40 DDAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1 104198262 HVKATQMNKFSTNB-UHFFFAOYSA-N 316.361 1.384 0 40 DDAB O=C(NCCc1cc(=O)[nH]cn1)c1c[nH]c(-c2ccccc2)n1 23144715 JVQISMWZOSOEND-UHFFFAOYSA-N 309.329 1.133 0 40 DDAB Cc1nnc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)o1 9155619 CEZOAIRYFAXGGH-AWEZNQCLSA-N 318.358 1.723 0 40 DDAB O=C(NC1CC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 113958653 FXHAUHOSWVBCSJ-UHFFFAOYSA-N 308.403 1.504 0 40 DDAB COc1ccccc1C[C@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 55667087 COLBXYNDCYEHRQ-JSGCOSHPSA-N 304.390 1.611 0 40 DDAB COc1ccc(OCCCN2C[C@H]3OCCN(C)[C@@H]3C2)cc1 107157812 XVKJSKMGUMDLCT-IAGOWNOFSA-N 306.406 1.479 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(CC(N)=O)CC2)C1(C)C 25518085 PULSZZYYNWVHKJ-HIFRSBDPSA-N 307.438 1.291 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3ccsc3c2=O)C1 26017634 GLQFLSSEFRRYGD-QWRGUYRKSA-N 305.403 1.963 0 40 DDAB COCCCN[C@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)O 3354661 CYRGRDQGNXFMRJ-CQSZACIVSA-N 308.378 1.711 0 40 DDAB CCC[C@H](NC(=O)[C@@H](C)N1CCNC(=O)C1)c1ccccc1 57577000 RJRDIXNAHSBFDC-HIFRSBDPSA-N 303.406 1.464 0 40 DDAB CN(C)CCCNC(=O)CCNC(=O)c1ccccc1Cl 35655433 XADZYOHZZLSEQT-UHFFFAOYSA-N 311.813 1.528 0 40 DDAB Cc1cnn([C@@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)c1 108867995 NXLOZTITKPFBSD-CQSZACIVSA-N 312.377 1.365 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2cccnc2)CC1 44894012 HDPQFYOQCRCYHI-UHFFFAOYSA-N 317.418 1.454 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 45163937 NTCWWYTUGFZEND-LBPRGKRZSA-N 310.419 1.918 0 40 DDAB C[C@@](O)(CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 69517852 FPSQLANPEHPXBZ-DLBZAZTESA-N 301.390 1.492 0 40 DDAB COc1cc2nc(CCn3cc(C)cn3)[nH]c(=O)c2cc1OC 69579008 FPOMVDZIQADYSK-UHFFFAOYSA-N 314.345 1.688 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc12 69919003 PQWQRXBJRDWHNB-ZDUSSCGKSA-N 310.361 1.940 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(C)cc1F 6011445 IVJOLQUWSAPKSO-VOTSOKGWSA-N 309.293 1.735 0 40 DDAB CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408708678 KNWBOHOQKASOBW-LLVKDONJSA-N 305.378 1.678 0 40 DDAB COc1ccc(C(=O)N2CCOCC2)nc1Br 68675245 CNVWTCPRTRNXKK-UHFFFAOYSA-N 301.140 1.325 0 40 DDAB Cc1noc(C)c1C(=O)OCc1cc(=O)n2ccsc2n1 5196040 BXNYNALKFVROQC-UHFFFAOYSA-N 305.315 1.718 0 40 DDAB CC(=O)NCCNC(=O)COc1ccccc1-c1ccccc1 6330990 KDVNELHULSBQEX-UHFFFAOYSA-N 312.369 1.985 0 40 DDAB CCOc1ccc(C[C@@H](CNC(=O)c2ccco2)C(N)=O)cc1 65476754 HBJSCRDQNLSRRM-ZDUSSCGKSA-N 316.357 1.752 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCCCN1CCCCCC1=O 65449387 WFKQIARJLYDPON-AWEZNQCLSA-N 321.425 1.364 0 40 DDAB CC[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1 14066852 JAGOOOHCOSRHKL-SECBINFHSA-N 322.369 1.685 0 40 DDAB CCC[C@H](C)NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 65591825 TWDJNOGXJMSGCN-RYUDHWBXSA-N 305.444 1.288 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)c(F)c1 65500977 UBDAIFMCMQBABV-AWEZNQCLSA-N 311.332 1.360 0 40 DDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC1CCCCCC1 14158746 OFVYGIUNSCGTBG-UHFFFAOYSA-N 315.373 1.529 0 40 DDAB COc1ccc(OCCN2C(=O)NC3(CCCC3)C2=O)cc1 4547919 SBFUDRQMYDQWDJ-UHFFFAOYSA-N 304.346 1.939 0 40 DDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@H]2CCOC2=O)C(C)C)cc1 14249973 BXSMMRVTJDTQLB-KBPBESRZSA-N 319.357 1.608 0 40 DDAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N(C)C)c(C)c1 7087352 FTOFTZICQUPGIB-LLVKDONJSA-N 305.407 1.848 0 40 DDAB COc1cccc(N2CCN(Cc3[nH]cnc3C)[C@H](C)C2=O)c1 67724023 BZILYLPCZSICRQ-CYBMUJFWSA-N 314.389 1.964 0 40 DDAB Cc1c(O)ccc2c(COC(=O)C3=COCCO3)cc(=O)oc12 7655052 SGUJZUKWDIKCLB-UHFFFAOYSA-N 318.281 1.738 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)CS2 7769999 YBXRVCLWNMMIEU-IAQYHMDHSA-N 319.386 1.178 0 40 DDAB O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc2[nH]nnc2c1 68534261 AMOSRFZZOPMKTO-AWEZNQCLSA-N 321.340 1.493 0 40 DDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccnc1 27974431 QWBPKGLYVWNLBP-NSHDSACASA-N 300.314 1.894 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)cn1 69348632 TWIOJYPWDDFPTQ-ZDUSSCGKSA-N 307.419 1.677 0 40 DDAB 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Cn1nc2c(cc1=O)CN(CCCOc1ccc(F)cc1)CC2 72302349 IXHREFPIQNNGPH-UHFFFAOYSA-N 317.364 1.747 0 40 DDAB Cc1cccc(O[C@H](C)CNC(=O)NCc2nccn2C)c1 76088178 PZXQFTAXCXCPGY-CYBMUJFWSA-N 302.378 1.995 0 40 DDAB O=c1[nH]c2ccccc2nc1Cn1nc(-c2ccco2)oc1=O 97201469 WAZKJQDOZFATLG-UHFFFAOYSA-N 310.269 1.381 0 40 DDAB CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 95395487 LOJJJIMPXRSROW-OLZOCXBDSA-N 303.406 1.917 0 40 DDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)C3O)C1 95398886 QAJJDTFLJHMNFA-IUOOZAAYSA-N 320.433 1.254 0 40 DDAB COc1ccccc1NCC(=O)N[C@H](C)[C@@H](C)n1cncn1 95396497 GSEAWXHXWYNGJZ-VXGBXAGGSA-N 303.366 1.465 0 40 DDAB OC1(CN2CCOCC2)CCN(c2ccnc(C3CC3)n2)CC1 95468686 MRVDIPRRJMWEFS-UHFFFAOYSA-N 318.421 1.018 0 40 DDAB CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)O)cc1 95424030 STTWZALLZGBJPC-CQSZACIVSA-N 318.373 1.648 0 40 DDAB O=C(Cc1cc(F)ccc1F)NCC(=O)Nc1ccc(O)cc1 95404159 YQKQEQFTQAJICU-UHFFFAOYSA-N 320.295 1.968 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)[C@@H]2CCCCN2C(C)C)n1 73499149 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COc1ccc(I)cc1OCC(=O)O 72220718 JGBWPXRASLSWQS-UHFFFAOYSA-N 308.071 1.763 0 40 DDAB O=C1O[C@@H](C(=O)OCCCn2cccn2)Cc2ccccc21 78715149 VWTYZQNYQLJKQW-CQSZACIVSA-N 300.314 1.598 0 40 DDAB CCOC(=O)Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2 32611783 ISHBGHZHEJIUMC-UHFFFAOYSA-N 320.389 1.567 0 40 DDAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(CCO)C2)n1 72359958 PQFVCRXTXFOAJQ-ZDUSSCGKSA-N 314.393 1.490 0 40 DDAB CS(=O)(=O)NC1CCN(CCOC2CCCCCC2)CC1 77248165 SRYXHZUVBVJCMR-UHFFFAOYSA-N 318.483 1.739 0 40 DDAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 36684278 PFXCTXMSCXQVKB-UHFFFAOYSA-N 314.407 1.428 0 40 DDAB CC(C)(C(=O)N1CCC[C@H](c2cnccn2)C1)n1cncn1 72369384 FFROLULSFXYMOF-LBPRGKRZSA-N 300.366 1.209 0 40 DDAB CCn1ccc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)n1 71195475 UJBWFALOBBPOKR-UHFFFAOYSA-N 316.365 1.090 0 40 DDAB Cc1cccc(N2CCO[C@H](C(=O)NC3CCOCC3)C2)c1 72366518 DOWAUWXXHKOHEF-INIZCTEOSA-N 304.390 1.495 0 40 DDAB COc1cccc(CN2CCN(c3nccc(OC)n3)CC2)c1 337684708 YMHGPLUZKISAAE-UHFFFAOYSA-N 314.389 1.816 0 40 DDAB O=C(Nc1cccc2nsnc12)c1ccc(-n2ccnc2)nn1 75163813 CYDQSOVQOCDDOX-UHFFFAOYSA-N 323.341 1.919 0 40 DDAB CCN1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)CC1 225791168 MDHZFQIXQMFLKW-VRKREXBASA-N 320.433 1.844 0 40 DDAB O=S1(=O)CC[C@]2(CCCN(Cc3nc4ccccc4[nH]3)C2)C1 573911303 AILPWUNKFLUXSN-INIZCTEOSA-N 319.430 1.964 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1 96041248 WAVVEYLCGGQDGI-NUEKZKHPSA-N 301.390 1.340 0 40 DDAB O=C([C@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCO1 96216653 CQPLTXBBVWCIPM-OAHLLOKOSA-N 320.389 1.957 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 97104407 KNOMEOMRIIQCOX-LBPRGKRZSA-N 315.402 1.848 0 40 DDAB C[C@H](CN(C)c1ccccc1)NS(=O)(=O)Cc1ccon1 96427793 XUFBYFQNCAIABD-GFCCVEGCSA-N 309.391 1.619 0 40 DDAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(S(C)(=O)=O)C3)n1 96109303 BPKXSWREDKIUGH-ZBFHGGJFSA-N 324.446 1.968 0 40 DDAB Cc1c[nH]/c(=N/C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)[nH]1 96500277 BPEOFIFVZPCEQD-LLVKDONJSA-N 316.336 1.579 0 40 DDAB CCN1C(=O)C2(CCN(CCN(C)C)CC2)c2ccccc21 96078901 WUESGZSLRLOUAV-UHFFFAOYSA-N 301.434 1.948 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCC2)Nc1cccc(Cl)c1 98211243 JNVFGEBINKMUSY-UHFFFAOYSA-N 306.753 1.673 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)c1nccnc1C(N)=O)[C@H](C)C2 97236478 ULYSBMWYZJXHMA-ZWNOBZJWSA-N 310.357 1.547 0 40 DDAB O=C(C1CCSCC1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107992 ONYWSQURRMLBEW-JKSUJKDBSA-N 324.490 1.699 0 40 DDAB CN1Cc2ccccc2[C@@H](NC(=O)CN2CCCCCC2=O)C1 535280187 HVLHNWYWPXVIHU-INIZCTEOSA-N 315.417 1.692 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(CO)C(=O)O 242687466 UGZSXEULGFAUDD-LOWVWBTDSA-N 318.778 1.304 0 40 DDAB CC1(C)CC[C@H](CN2CCCC[C@H]2CCNS(C)(=O)=O)O1 248593047 ZVKREUTYFIGZSV-UONOGXRCSA-N 318.483 1.738 0 40 DDAB Cc1cccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)n1 248157364 ZQZVEFVKZAZYMR-ZWKOTPCHSA-N 319.449 1.702 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](CCNC(=O)c2cccn2C)C1 248122844 KOXHJBWHNFGYNM-CQSZACIVSA-N 315.421 1.807 0 40 DDAB COc1cccc([C@H]2Cn3ccnc3CN2S(C)(=O)=O)c1 257253495 JZDZYMORXVFVFZ-CYBMUJFWSA-N 307.375 1.408 0 40 DDAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CN)[C@@H]3C[C@H]21 257244606 IMBQTRIQBGDOSU-SMKXDYDZSA-N 316.401 1.863 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257209568 BQWXTPCZNDFZSM-ZDUSSCGKSA-N 311.345 1.808 0 40 DDAB Cc1cccnc1Nc1nccc([C@@H]2CCN(C(=O)CN)C2)n1 257216290 CTWLDALYZPYJNS-GFCCVEGCSA-N 312.377 1.198 0 40 DDAB O=C(c1ccncn1)N1CCC(c2ccnc3ccnn23)CC1 257256386 KLFXJXVZNMJWEX-UHFFFAOYSA-N 308.345 1.539 0 40 DDAB CC(=O)N1CC2(CCN(Cc3nccs3)CC2)C[C@@]1(C)CO 257332890 XZFMHLIHOMNOFC-HNNXBMFYSA-N 323.462 1.729 0 40 DDAB C[C@]1(O)CN(C(=O)c2c[nH]cn2)CC[C@@H]1Oc1cccc(F)c1 257286436 PLPIDPZPVSURFH-HOCLYGCPSA-N 319.336 1.593 0 40 DDAB c1cc2n(n1)C[C@H](CN1CCCC1)CN(CC1CCOCC1)C2 253478665 MKENVJZGDBBBAZ-QGZVFWFLSA-N 318.465 1.837 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1OC 257278374 OBZZNDCFEALLRM-CJNGLKHVSA-N 320.389 1.749 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)CCn2nccc2C)n1 257229580 FYQLNGJCMGOPET-CQSZACIVSA-N 314.393 1.777 0 40 DDAB COc1ncc(C)cc1NC(=O)[C@H](C)n1nnnc1C(C)(C)C 272306165 XPFMCRGOZRVTKR-JTQLQIEISA-N 318.381 1.882 0 40 DDAB O=C(CC1CC1)NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575405856 KDPQYPWYAOTDBP-AWEZNQCLSA-N 320.433 1.710 0 40 DDAB COCC[C@H]1CN(C(=O)c2ccncn2)Cc2cccn2C1 585095563 XPPHGUXGTPTQDD-CYBMUJFWSA-N 300.362 1.587 0 40 DDAB Cc1cc(C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)no1 43978082 BCTNKTHCUIAZIO-UHFFFAOYSA-N 322.409 1.933 0 40 DDAB Fc1cccc(Cn2cnc3c2CCNC32CCNCC2)c1 96032947 ZYYSOZWDADAQQX-UHFFFAOYSA-N 300.381 1.795 0 40 DDAB CN(C)S(=O)(=O)Nc1nc(-c2csc(N)n2)cs1 5586261 DNAZUCKKCLNYAH-UHFFFAOYSA-N 305.410 1.067 0 40 DDAB c1ccc2c(c1)NN=C(n1nnc3ccccc31)c1nnnn1-2 5669823 ULLOANIWNXGWEU-UHFFFAOYSA-N 303.289 1.042 0 40 DDAB CN1CCC[C@@H](NC(=O)COc2ncnc3ccccc23)C1 12195060 ALMZOOYBURVWCH-GFCCVEGCSA-N 300.362 1.219 0 40 DDAB O=C(c1ccc[nH]c1=S)N1CCN(c2ncccn2)CC1 14167024 WDLSLPYJCQUOAN-UHFFFAOYSA-N 301.375 1.497 0 40 DDAB CS(=O)(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735829 HBEGJZPQDHPOOG-VIFPVBQESA-N 310.297 1.513 0 40 DDAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(O)c1 25983938 AXTXXFYZNSPMAH-LBPRGKRZSA-N 315.325 1.971 0 40 DDAB Cc1cc(CNC(=O)CNc2ccccc2C(N)=O)ccc1F 21391685 ZCOLRUFUWVICCU-UHFFFAOYSA-N 315.348 1.961 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](C)N1CCOCC1 24682283 BMCCPAUIJBJFOK-GFCCVEGCSA-N 316.398 1.133 0 40 DDAB Cc1ccc(OCC2CCN(Cc3nncn3C)CC2)nn1 1775985929 JNQDIDMWHOCLEB-UHFFFAOYSA-N 302.382 1.205 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(Cc3nc(C)no3)C2)nc1 1776000956 RHRAAXMBJHJZIU-ZDUSSCGKSA-N 303.366 1.767 0 40 DDAB O=C(Cn1ncccc1=O)NCc1cccnc1-c1cccnc1 238833278 GKLVRKGTXZIEKU-UHFFFAOYSA-N 321.340 1.017 0 40 DDAB O=S(=O)(CCN1CCC[C@H](O)C1)c1ccc(Cl)cc1 32652152 LCTFILOOYKEILZ-LBPRGKRZSA-N 303.811 1.570 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 1565542825 VLIHOQQIBXMSNM-FIDHJVLJSA-N 313.401 1.007 0 40 DDAB CC(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055745552 JHWMFSLLNGPSFN-JTQLQIEISA-N 303.318 1.191 0 40 DDAB Cc1cc(C)cc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967101 FOZZQXIQDPDTJG-UHFFFAOYSA-N 311.385 1.941 0 40 DDAB O=C(COc1ccccc1)N1CC[C@H](N2C(=O)CSC2=O)C1 217781096 NRUJLRDEZYXIBJ-NSHDSACASA-N 320.370 1.362 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccccc2F)CC1 43979483 IXCSAQDSKZLFIG-UHFFFAOYSA-N 314.382 1.227 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 226859784 AJYRUWKZHXNLAX-UHFFFAOYSA-N 308.359 1.135 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CCc1nc(C(C)(C)C)no1 40516146 DLJSYXIGUORELU-UHFFFAOYSA-N 308.382 1.037 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)NC[C@H]3CCOC3)cnc12 40514289 MYNCLCGQQOCCQM-CYBMUJFWSA-N 315.373 1.248 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CCN2CCCC[C@H]12 40534780 IGNTZYXKZCLCPU-WDEREUQCSA-N 316.327 1.645 0 40 DDAB Cc1nnc([C@@H](C)N2CCN(C[C@H](O)c3ccccc3)CC2)o1 69667402 NUMIOPZIOCVBDR-CJNGLKHVSA-N 316.405 1.790 0 40 DDAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1CCC[C@H](O)C1 69622115 CNQPWCREMDYMCC-ZDUSSCGKSA-N 318.373 1.613 0 40 DDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1c1ccccc1 45879304 FCQVLYBWIIINMF-HNNXBMFYSA-N 322.430 1.081 0 40 DDAB Cc1cc(CNC(=O)NCc2ccc3c(c2)OCCO3)no1 60058924 DXHKQHLBOCVACN-UHFFFAOYSA-N 303.318 1.754 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 1677525 ICFOBMSVJMGIMX-HNNXBMFYSA-N 319.382 1.802 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cc(C(F)(F)F)n(C)n1 2774979 KGMJEIYAHYOMKG-UHFFFAOYSA-N 301.272 1.445 0 40 DDAB COc1ccccc1CCNC(=O)CN1C[C@H](C)O[C@H](C)C1 20963536 SDAJELWXXZUMGS-OKILXGFUSA-N 306.406 1.463 0 40 DDAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4019413 DIEFOYIXBBLDHW-BARDWOONSA-N 301.342 1.992 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 7655469 CFAKMWKKUOCHFS-FDYHWXHSSA-N 311.378 1.747 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)C[C@@H](SCCO)C1=O 101312592 NOTKAZMDWMYWMF-LLVKDONJSA-N 315.778 1.706 0 40 DDAB C[C@H](NC(=O)Cc1ccccc1O)C(=O)N1CCSCC1 69737144 KLOSMRPBNJXAOK-NSHDSACASA-N 308.403 1.015 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C[C@@H]2OCCc3sccc32)CC1 69706846 MSSSQWURMIWGHD-OCCSQVGLSA-N 324.446 1.277 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@H](c1ccccc1)C1CCCCC1 52832118 JOIAEMHVGVCCJN-GOSISDBHSA-N 317.433 1.841 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H]2Cc3ccc(C)cc3S2)CC1 71794339 CZGRZUMCNNUEBH-OAHLLOKOSA-N 304.415 1.703 0 40 DDAB CS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 42001339 BMOQDTJELIWXOM-UHFFFAOYSA-N 322.430 1.212 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)c1C 12533718 NSMRWURKHIMORD-UHFFFAOYSA-N 300.362 1.282 0 40 DDAB C[C@@H](C(N)=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 22793454 FCLMBEDCGNRJSK-NSHDSACASA-N 315.339 1.697 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(=O)n1C 71796495 LKOJABZGNHUZEO-ZDUSSCGKSA-N 300.362 1.368 0 40 DDAB Cc1cc(NCC(=O)N2CCC[C@@H](C)C2)ccc1-n1cnnn1 23057930 XSCNYPNSTQKGLF-GFCCVEGCSA-N 314.393 1.641 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(c2nccs2)CC1 23009149 CLOWZESBBRGPAE-CQSZACIVSA-N 315.398 1.795 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3ccc(C)n3C)CC2)no1 54459240 WYDVTMNQYOHKIH-UHFFFAOYSA-N 302.378 1.588 0 40 DDAB NC(=O)CCCNC(=O)COc1ccc(Cl)c(Cl)c1 42924918 KUEHQRCHRWJFCH-UHFFFAOYSA-N 305.161 1.754 0 40 DDAB Cc1occc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24679121 BNMIXWGGPXBCMA-NSHDSACASA-N 300.380 1.132 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cn2)c1C 76068584 TZKBZHNHSVHOFI-UHFFFAOYSA-N 323.422 1.782 0 40 DDAB C[C@@H]1C[C@H](N2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)C(=O)O1 76049728 YETUAAQHBWGHNQ-VWYCJHECSA-N 308.382 1.180 0 40 DDAB COCCN1C(=O)CO[C@H]2CN(CCCc3ccccc3)C[C@H]21 67897284 PYENYHOLAUJHER-SJORKVTESA-N 318.417 1.177 0 40 DDAB biogenic,in-vitro O=C(NCCc1cccnc1)NC[C@H]1COc2ccccc2O1 26312543 QFZKEKNBKAHZSY-AWEZNQCLSA-N 313.357 1.763 0 40 DDAB COc1ccccc1CN(C)C(=O)CN1C[C@H](C)N(C)C[C@@H]1C 108153184 SECQPTZCXROGIW-GJZGRUSLSA-N 319.449 1.678 0 40 DDAB C[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)N1CCOCC1 58293816 QAPXZCUGWZRDFX-VIFPVBQESA-N 314.744 1.456 0 40 DDAB CCN1C[C@@H](C(=O)NCc2ccccc2-n2cccn2)CC1=O 58203545 DCPCMYASLMVCJL-AWEZNQCLSA-N 312.373 1.357 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCSCC1 44950641 NXJIVYPOYUCWMU-UHFFFAOYSA-N 322.430 1.465 0 40 DDAB Cc1ccc(N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 58329953 NROJAAMQFVWNEU-AWEZNQCLSA-N 324.446 1.513 0 40 DDAB CN(CC1CC1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 48368467 DOBFTKQXQHJYFE-UHFFFAOYSA-N 317.432 1.340 0 40 DDAB CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C)cc1 12860502 KVGXKVMQVILOEU-CYBMUJFWSA-N 301.346 1.113 0 40 DDAB C[C@H](C1CC1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 12814206 LUHPDQPCLYDXEU-LLVKDONJSA-N 310.419 1.807 0 40 DDAB Cn1cc([C@@H]2CCCN2Cc2cccc(OCC(N)=O)c2)cn1 69968271 CHCAHPYLIDOHMA-INIZCTEOSA-N 314.389 1.621 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)Nc2cccnc2OC)cc1 48414786 SNELWACASBRPJC-AWEZNQCLSA-N 317.345 1.954 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 12909924 NOJKPKWUUMRHGO-YUELXQCFSA-N 324.380 1.915 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2c(C)nn(CC)c2C)CC1 69951552 HTNQDQUAJUWSNW-AWEZNQCLSA-N 308.426 1.049 0 40 DDAB CC(C)CN(CC(=O)O)C(=O)c1cc(Br)cn1C 62742066 UEVXDHUCEZCUHM-UHFFFAOYSA-N 317.183 1.970 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 5209868 ZRINPYZPDWINSX-MRVPVSSYSA-N 305.363 1.408 0 40 DDAB Cc1ccccc1OCCN(C)C(=O)[C@H](C)N1CCN(C)CC1 65554557 KMSCTWBMWYYJCH-INIZCTEOSA-N 319.449 1.468 0 40 DDAB C[C@@H](CN1CCCC1=O)NCc1cn(C)nc1-c1cccnc1 65552551 CLVGTTQSFWWYPO-ZDUSSCGKSA-N 313.405 1.583 0 40 DDAB O=C1C[C@H](c2ccccc2)N(CCCN2CCOC2=O)CCN1 65564851 RVLJSAIJHJCLJQ-OAHLLOKOSA-N 317.389 1.392 0 40 DDAB CC[C@](C)(O)CNC(=O)Nc1cccc(CN(C)C(C)=O)c1 66159339 HWEVIRPODOYVLE-INIZCTEOSA-N 307.394 1.947 0 40 DDAB CN(c1ncnc2sc3c(c12)CCC3)[C@H]1CCS(=O)(=O)C1 5668565 GMGYDFBSVHKIFV-VIFPVBQESA-N 323.443 1.803 0 40 DDAB CCOCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 7470918 NKHWGLXOBUCGFD-INIZCTEOSA-N 320.345 1.261 0 40 DDAB CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 71796562 WBSKQAFCNQLEOO-CHWSQXEVSA-N 307.398 1.311 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)OCCc1c(C)n[nH]c1C 96013449 JMSNJAKHSIXSMA-UHFFFAOYSA-N 315.373 1.851 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)C1 69322951 MAXCRTBFDAXPSW-OLZOCXBDSA-N 318.439 1.048 0 40 DDAB O=C(NCc1ccccc1OCc1ccccc1)c1n[nH]c(=O)[nH]1 69538915 JWCGHLAKKIWPAB-UHFFFAOYSA-N 324.340 1.607 0 40 DDAB Cc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)cs1 71863977 UFNKEUAUYLQWKM-UHFFFAOYSA-N 317.418 1.590 0 40 DDAB Cc1noc(CCCNC(=O)NC[C@](C)(O)c2ccc(C)o2)n1 78941126 DOLVAKZWHJXBBO-HNNXBMFYSA-N 322.365 1.419 0 40 DDAB CNC(=O)NC(=O)CN[C@H](C)c1cccc(Br)c1 97033060 GOHHPDFJVGFMLD-MRVPVSSYSA-N 314.183 1.555 0 40 DDAB O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](NC2(CO)CC2)C1 97100345 CBIBQBYWLQOUHT-QWHCGFSZSA-N 314.385 1.708 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1nnc(C(C)C)o1)CC2 72302197 DEPFPCOLMJINPA-UHFFFAOYSA-N 303.366 1.328 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCC3(CC2)NC(=O)NC3=O)s1 97600745 IIJQVSQYINRIBT-SNAWJCMRSA-N 319.386 1.270 0 40 DDAB C[C@@H](NC(=O)[C@H]1COc2ccccc21)C(=O)N1CCCCC1 95396806 COBXRZWSHCBFNK-OCCSQVGLSA-N 302.374 1.680 0 40 DDAB O=c1ccnc2sc(N3CCCC[C@H]3c3cn[nH]c3)nn12 95407837 AIMMGRZFMWALFP-JTQLQIEISA-N 302.363 1.606 0 40 DDAB COc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1 21495556 DQFCZYZUVKSKFL-UHFFFAOYSA-N 319.386 1.751 0 40 DDAB C[C@H]1CN(CCCCNC(=O)c2ccncc2F)C[C@H](C)O1 85456460 FNVFNMSQNQVNDJ-STQMWFEESA-N 309.385 1.840 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)c1csc(NC2CC2)n1 95963351 DMCUIPZNHDSJOM-FQEVSTJZSA-N 315.464 1.994 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)c(C)c1 74767761 KFLKRLOHXJKGAK-UHFFFAOYSA-N 310.419 1.545 0 40 DDAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 26496382 NYGATDJJWBGLPP-SNVBAGLBSA-N 321.402 1.163 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1nc2nc(C)cc(C)n2n1 24726856 DWHUKDJVISLMAG-NSHDSACASA-N 319.365 1.059 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](COCC3CC3)CCN2C)C1 306137167 QNIZLWNQQZJDTH-HNNXBMFYSA-N 310.438 1.372 0 40 DDAB CC(C)(C)CN1CCC[C@@H](N2CC[C@H](O)C(F)(F)C2)C1=O 521398729 NABQTXHTMGPCIO-NEPJUHHUSA-N 304.381 1.725 0 40 DDAB Cc1ccc(N2C(=O)N[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1 39379191 AYOKDJXRGYCPJN-DLBZAZTESA-N 310.309 1.255 0 40 DDAB O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)NC1CCCCC1 35485334 MXSCVUVDBBOKTI-INIZCTEOSA-N 315.417 1.266 0 40 DDAB CCc1ccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 217392093 FFKLYVZNYZQJEL-UHFFFAOYSA-N 302.330 1.847 0 40 DDAB Cc1nc(COc2ccc(F)cc2F)[nH]c(=O)c1CC(=O)O 217393556 SVDQNKZRLHAERA-UHFFFAOYSA-N 310.256 1.563 0 40 DDAB CNC(=O)Cc1ccc(NC(=O)COCC(F)(F)F)cc1 32930926 LMWBVRNSOCFXAC-UHFFFAOYSA-N 304.268 1.493 0 40 DDAB COc1ccc(Nc2nc(NCCO)nc3[nH]cnc23)cc1 36370055 JEBIUZWCBIYLBG-UHFFFAOYSA-N 300.322 1.509 0 40 DDAB biogenic CCOc1cc(C=O)ccc1OCC(=O)N1CCN(C)CC1 72226341 JSECQJGRXYCUMA-UHFFFAOYSA-N 306.362 1.051 0 40 DDAB COc1ccc(CNC(=O)[C@@H](C)n2nc(C)ccc2=O)cc1 44394773 YHIJHSOFXAWPOL-GFCCVEGCSA-N 301.346 1.438 0 40 DDAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCO 222906052 OJXPEBUKVNFORF-LBPRGKRZSA-N 310.369 1.451 0 40 DDAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCO 222824892 TUGOLEXBYGKJLU-NSHDSACASA-N 312.797 1.576 0 40 DDAB C[C@@H](Cc1cnc[nH]1)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 568763200 OJZQZUUOEGMNCE-LBPRGKRZSA-N 324.388 1.732 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCc1ccnc(N(C)C)n1 224236418 PEXOAFQACGSZBC-LBPRGKRZSA-N 300.362 1.626 0 40 DDAB O=C(NCCCO)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 195560331 USGMFVJNHAVBGU-IXDOHACOSA-N 317.433 1.579 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2nc(C3CC3)ns2)CC1 528117512 JVAOPSMBDXWUNJ-UHFFFAOYSA-N 314.436 1.030 0 40 DDAB COC(=O)c1sccc1CN1CCc2nn(C)c(=O)cc2C1 88536977 OSJLKTQSNLEBLN-UHFFFAOYSA-N 319.386 1.187 0 40 DDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccn2)n1 96186529 KEEISMJHYLBAON-HZPDHXFCSA-N 323.400 1.950 0 40 DDAB CC(C)C[C@H](CN)NS(=O)(=O)c1cccc2cccnc12 95432082 GQLRKMOVYQRETP-CYBMUJFWSA-N 307.419 1.887 0 40 DDAB CCN(c1ccncc1)S(=O)(=O)c1cc(Cl)cnc1N 96483678 GCBVDRCLDFXSMM-UHFFFAOYSA-N 312.782 1.927 0 40 DDAB O=C1NCC[C@]12CN(C[C@H]1CCOC1)C[C@H]2c1ccccc1 96201829 MTENTPQSPAXYNH-UWWQBHOKSA-N 300.402 1.629 0 40 DDAB Cc1cccc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)n1 96202617 CIUVLOUUJNSQHK-UHFFFAOYSA-N 307.419 1.394 0 40 DDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041589 RINHXGXJQGQNLY-NUEKZKHPSA-N 304.390 1.824 0 40 DDAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)[C@H]3CCOC3)[C@H]2C1 96268348 NZJOCLADXBPEJC-STECZYCISA-N 314.385 1.456 0 40 DDAB C[C@@H](C(=O)NCCCC(=O)Nc1cn[nH]c1)N1CCCCCC1 95404282 MLDQGPUMMYHUED-ZDUSSCGKSA-N 321.425 1.509 0 40 DDAB CCc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[nH]n1 96421686 QXZWGZFYRXZXMT-HNNXBMFYSA-N 314.389 1.812 0 40 DDAB C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1 245316758 KNZGEPYVGSFWQC-DGXTUMSLSA-N 310.438 1.560 0 40 DDAB CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252515074 GWSINPKOOKHISK-MGPQQGTHSA-N 317.838 1.832 0 40 DDAB O=C(CC1(O)CCCCC1)N1CC[C@@](O)(CN2CCCC2)C1 257220653 DLPDTWHJEFRRRR-QGZVFWFLSA-N 310.438 1.131 0 40 DDAB COc1ccc([C@H]2CN(C(=O)c3cnn(C)c3)CCN2C)cc1 257279173 OFIWJJJRXVDOLY-MRXNPFEDSA-N 314.389 1.558 0 40 DDAB O=C(NC[C@H]1CCOC1)c1cccnc1OCC(F)(F)F 41366934 AHKDNAYRSHJSBQ-SECBINFHSA-N 304.268 1.789 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccccc1 630446711 UVHJMQBOZGHSMA-GHMZBOCLSA-N 319.329 1.777 0 40 DDAB CC(=O)OC(C)(C)C(=O)NC[C@H](c1ccco1)n1cccn1 575614194 PEACLPGUDKMQAN-GFCCVEGCSA-N 305.334 1.523 0 40 DDAB O=C(C1CC(F)C1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 585108860 YMJYXICBBUOVKM-MVKYRMLYSA-N 320.364 1.967 0 40 DDAB Cc1nccc(N2CC[C@@](O)(COc3ccc(F)cc3)C2)n1 585274336 JFJDMZBWODRIPQ-INIZCTEOSA-N 303.337 1.944 0 40 DDAB CN(C)C(=O)NC[C@H]1CN(Cc2ccco2)Cc2ccnn21 585112894 WKCBVWOARJPBFQ-ZDUSSCGKSA-N 303.366 1.304 0 40 DDAB NC(=O)NC(=O)COC(=O)c1ccc2c(c1)Cc1ccccc1-2 46277512 WRCVBSPVXUSKQD-UHFFFAOYSA-N 310.309 1.610 0 40 DDAB COCCNC(=O)CCNc1cc(C)nc(-c2ccncc2)n1 57828038 MJULNXIOAXUWAD-UHFFFAOYSA-N 315.377 1.412 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1 35959605 NQUVLSHOQCRWTA-SNVBAGLBSA-N 312.163 1.971 0 40 DDAB COCCN1CCC(CNC(=O)c2cc(C3CC3)on2)CC1 75166836 KSZAFGRPTDYJNV-UHFFFAOYSA-N 307.394 1.640 0 40 DDAB COCc1nc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)cs1 78892476 WZWMBAPOPNWODS-NSHDSACASA-N 309.395 1.290 0 40 DDAB CCn1nc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1C 13703708 WQLPBSMKTLZGFL-UHFFFAOYSA-N 312.329 1.690 0 40 DDAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)C(C)(C)C)CC1 19756572 QRQFLMXYNAUPCF-UHFFFAOYSA-N 320.437 1.607 0 40 DDAB COc1ccc(CNC(=O)Cn2cc3c(n2)[C@H](N)CCC3)cc1 562981082 XDXQCLZWLGEJOT-OAHLLOKOSA-N 314.389 1.544 0 40 DDAB CN(CC(=O)NC(=O)NCc1ccco1)Cc1ccc(F)cc1 3588299 PJNDXWWALFKPDR-UHFFFAOYSA-N 319.336 1.877 0 40 DDAB COc1ccccc1C(=O)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888853180 MAFSZVCSVUDVAD-KBPBESRZSA-N 324.384 1.694 0 40 DDAB CC(=O)N1CCC(N2CCC(Oc3ncc(F)cn3)CC2)CC1 1254431511 SXXYHXQMLKYIKC-UHFFFAOYSA-N 322.384 1.470 0 40 DDAB CN(c1cc(C(F)(F)F)ncn1)C1CN(c2cnccn2)C1 1888901213 VVYBTUFUXUYXAG-UHFFFAOYSA-N 310.283 1.610 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ncnn2C)CC1 1848741261 LFDQHOMCNNJDFD-UHFFFAOYSA-N 321.816 1.359 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](C)C1)c1ccc(C)cc1 22281856 XCMWMNFNZKUSCF-BBRMVZONSA-N 304.390 1.810 0 40 DDAB Cc1ccc(F)cc1CN1CCO[C@@]2(COCC(=O)N(C)C2)C1 2037984371 YRTXDCWSVLQSRT-QGZVFWFLSA-N 322.380 1.194 0 40 DDAB CO[C@H]([C@@H]1CCCN1)[C@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 504431603 PHUURGQFDDGNRU-GWCDLVAZSA-N 320.433 1.628 0 40 DDAB O=C(O)c1cc(N2CCOCC2)c2scc(C(=O)O)c2n1 953109883 ZPXHPHQJXDTIKX-UHFFFAOYSA-N 308.315 1.529 0 40 DDAB O=C(Cc1ccc(F)cn1)N1C[C@H]2COC[C@@H](C1)N2CC1CC1 1565548671 HRXXTZLJOJPKGH-IYBDPMFKSA-N 319.380 1.085 0 40 DDAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1=O 1565542989 SPNPNNHXCITLKW-KSSFIOAISA-N 324.384 1.498 0 40 DDAB O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1 2055738966 DSELDTXGMLQBTA-KEYYUXOJSA-N 302.374 1.264 0 40 DDAB CCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055715773 IQFGZJYMPKTHIH-NSHDSACASA-N 304.394 1.254 0 40 DDAB O=C(O)CSc1nc(O)c2cnn(-c3ccccc3)c2n1 20209606 CLZMJCQSDUEKAE-UHFFFAOYSA-N 302.315 1.698 0 40 DDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1 5251276 QGYCRRHASGUFAA-UHFFFAOYSA-N 302.286 1.321 0 40 DDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100166130 NADRFVQJUKWNGP-KOLCDFICSA-N 322.704 1.147 0 40 DDAB CN1CCN(c2cc(CNC(=O)c3ccco3)ccn2)CC1 40541094 KDCUZUAZDUYHJH-UHFFFAOYSA-N 300.362 1.356 0 40 DDAB O=C(NCCCN1CCCC1)Nc1ccc(-n2cnnn2)cc1 40526622 IBRWEJFMPAUNDP-UHFFFAOYSA-N 315.381 1.270 0 40 DDAB CCOC(=O)[C@@]1(O)CC(C)=NN1C(=O)c1cccc(Cl)c1 33263 YHBLOJHWHSNGKL-AWEZNQCLSA-N 310.737 1.814 0 40 DDAB CCC[C@]1(C)NC(=O)N(C[C@H](O)COc2ccc(C)cc2)C1=O 51373561 MEAAZFOJRDTLPD-GUYCJALGSA-N 320.389 1.845 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 68282304 SSZXWRROYUDMBZ-NSHDSACASA-N 314.389 1.931 0 40 DDAB NC(=O)[C@@H]1CCCN1[C@@H](C(=O)O)c1c[nH]c2ccc(Cl)cc12 20745401 JTLBHLHMNBXTSI-QWHCGFSZSA-N 321.764 1.897 0 40 DDAB Cc1cccn2c(=O)nc(SCC(=O)NC(C)(C)C)nc12 4504157 NHYXRIMBWSWTQB-UHFFFAOYSA-N 306.391 1.405 0 40 DDAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(O)cc1 6971018 ROJDWUHKNVBXSH-MDWZMJQESA-N 309.281 1.454 0 40 DDAB CC(=O)c1ccc(N2CCN(C(=O)C3=COCCO3)CC2)cc1 6981667 ADMXAAMVGYAEAV-UHFFFAOYSA-N 316.357 1.426 0 40 DDAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 107203460 SIFFBJDSUQGYJC-SQNIBIBYSA-N 311.433 1.873 0 40 DDAB O=CN1CCN(c2nc(N3CCCC3)c3ccccc3n2)CC1 41148316 XBWFBDOMGJAQEZ-UHFFFAOYSA-N 311.389 1.508 0 40 DDAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(N)=O)cc1 32837455 PIHPOZWEQKCTBT-UHFFFAOYSA-N 322.361 1.745 0 40 DDAB COc1ccc(NC(=O)C[C@H](NCC(C)C)C(=O)O)c(OC)c1 8235353 WLBNSOPZKRKYLD-ZDUSSCGKSA-N 324.377 1.731 0 40 DDAB Cc1cc(C)n2nc(C(=O)N[C@H]3CCN4CCCC[C@@H]34)nc2n1 60722359 YIRKHCFELDBOEC-STQMWFEESA-N 314.393 1.098 0 40 DDAB NC(=O)Nc1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1 32899192 QRSSMRFFVNMKCJ-OAHLLOKOSA-N 311.341 1.797 0 40 DDAB O=C(CCCNC(=O)OCc1ccccc1)Nc1nc[nH]n1 52555822 YTILBAGIAWCNCQ-UHFFFAOYSA-N 303.322 1.450 0 40 DDAB Cc1cc2nc(N3CCS(=O)CC3)c3ccccc3n2n1 69696980 DAGUJASWKJJMMQ-UHFFFAOYSA-N 300.387 1.760 0 40 DDAB CN1C(=O)[C@H]2[C@@H](c3ccccc3)NN(Cc3ccccc3)[C@@H]2C1=O 100896252 OMWIXGLNODRCFR-BBWFWOEESA-N 321.380 1.732 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H](O)C1 52635957 HFZXFTICNIOPHE-WBVHZDCISA-N 317.433 1.180 0 40 DDAB C[C@H](c1ccccc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1 37218979 SGOFKAQHBYNERX-CZUORRHYSA-N 324.446 1.373 0 40 DDAB O=C(COC(=O)c1cccnc1-n1cncn1)c1ccccc1 22834979 MZXHIYIFGJMBAS-UHFFFAOYSA-N 308.297 1.702 0 40 DDAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)NC(=O)NC(C)(C)C 12516063 WLPXFKXXTAVRLW-VIFPVBQESA-N 307.350 1.840 0 40 DDAB O=C(NCc1ccoc1)Nc1cccnc1N1CCOCC1 54482710 HYNRTXACTPYKIL-UHFFFAOYSA-N 302.334 1.833 0 40 DDAB COc1ccc([C@H](O)CNC(=O)Nc2cc(C)nn2C)cc1 43432804 DXYHRJXOYPIQIA-CYBMUJFWSA-N 304.350 1.592 0 40 DDAB C[C@H]1CN(c2ncnc3c2cnn3C)CCN1c1nccs1 89939461 XARCPMBMSLTWLA-JTQLQIEISA-N 315.406 1.535 0 40 DDAB Cc1nn(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 57280024 MWEVGTRRKUODHI-GFCCVEGCSA-N 321.402 1.038 0 40 DDAB COc1ccccc1OCCN(C)C(=O)NC[C@@H]1CCCO1 56780016 ZCZNDQZFLOZBPJ-ZDUSSCGKSA-N 308.378 1.894 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107505605 NKMPXKHNXDWAPU-IFIJOSMWSA-N 316.405 1.795 0 40 DDAB Cc1ccnc(NC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)c1 57252177 HIEKPYPQKFHVKU-CQSZACIVSA-N 317.389 1.746 0 40 DDAB CCCCc1nc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)no1 76048668 PUIZZZLCMDGIAH-NSHDSACASA-N 306.370 1.412 0 40 DDAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(N2CCNC2=O)c1 57554273 VFSLTFZGRMITSB-CYBMUJFWSA-N 314.389 1.183 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 24257701 CRWLOGCTAPAMSV-UHFFFAOYSA-N 306.343 1.347 0 40 DDAB CN(C)C(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 27057802 NXOPAYXVNLDBCQ-NEPJUHHUSA-N 316.357 1.994 0 40 DDAB NC(=O)[C@@H]1CCCCN1Cc1csc(-c2ncccn2)n1 44975150 WIVRAAKJQSTRTK-NSHDSACASA-N 303.391 1.440 0 40 DDAB CC(C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 44934047 SKIFUJDORWCPRE-CHWSQXEVSA-N 311.426 1.452 0 40 DDAB C[C@@H]1COCCN1C(=O)CCc1nc(-c2cccnc2)no1 44913765 NASHVQNZCXIMOV-LLVKDONJSA-N 302.334 1.312 0 40 DDAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)[C@@H]1CCCO1 27889637 RNSOGSANSPCYGB-WFASDCNBSA-N 300.362 1.624 0 40 DDAB CNC(=O)c1cnc(/C=C/c2ccc(NC(C)=O)cc2)[nH]c1=O 58306353 XQJSLBWVRRBYIW-VMPITWQZSA-N 312.329 1.258 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H](C(N)=O)c1ccccc1 45340674 OAZHDWJOALHTLH-ABAIWWIYSA-N 316.332 1.936 0 40 DDAB Cn1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cn1 10996971 QALUGEZSPCZPIS-LBPRGKRZSA-N 305.359 1.069 0 40 DDAB CSc1ncccc1C(=O)OCC(=O)NCC(F)(F)F 3450990 MGIJPLRFSSFSEH-UHFFFAOYSA-N 308.281 1.639 0 40 DDAB COC(=O)CC[C@@H]1NC(=S)N(c2cc(C)cc(C)c2)C1=O 12981414 CVIWYQKBXKDWDO-LBPRGKRZSA-N 306.387 1.846 0 40 DDAB O=C(CCNCc1c[nH]nc1-c1ccccc1)N1CCOCC1 48786461 CGUIYJCPSSSZSG-UHFFFAOYSA-N 314.389 1.415 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 16695637 RDMXXGURWSELBF-TXEJJXNPSA-N 307.394 1.356 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 65390787 WYLZVWNNINMEII-UONOGXRCSA-N 320.368 1.719 0 40 DDAB Cc1cnn(CCNCc2nnnn2-c2c(C)cccc2C)c1 69897363 MXAQFNKYNJMKKW-UHFFFAOYSA-N 311.393 1.574 0 40 DDAB CCNC(=O)NC(=O)CN1CCC(Nc2ccc(C)cc2)CC1 65593048 LCQDVKAVCQQDDN-UHFFFAOYSA-N 318.421 1.717 0 40 DDAB CCC(C)(C)NC(=O)CSc1nc(=O)[nH]c(C)c1C(C)=O 14149359 OPWXBAUZDZRZCW-UHFFFAOYSA-N 311.407 1.678 0 40 DDAB O=C(CN1CCc2cncnc2C1)N1CCO[C@@H]2CCCC[C@@H]21 69493359 LCPKQMHMANERQF-JKSUJKDBSA-N 316.405 1.005 0 40 DDAB Cc1cnn(C[C@@H]2CN([C@@H](C)c3nc(C4CC4)no3)CCO2)c1 69486426 YTRIOKNDVXABEV-JSGCOSHPSA-N 317.393 1.914 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3[nH]ncc32)cc(OC)c1OC 15081887 ANPREABSZOKIJI-VIFPVBQESA-N 303.318 1.910 0 40 DDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15083203 BQTVUFVSWJPWQV-RVSPLBMKSA-N 316.357 1.734 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCNc1ncccn1 69518305 PBSNQMAGULYVSI-CABCVRRESA-N 317.437 1.754 0 40 DDAB Cc1noc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 69517601 QLPOEOAZENINEI-SECBINFHSA-N 304.281 1.509 0 40 DDAB CCONC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 8774753 IDTPQILEOFIJDH-UHFFFAOYSA-N 300.380 1.398 0 40 DDAB CCCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 8765022 WQZUCYFLUDWTBS-UHFFFAOYSA-N 315.373 1.638 0 40 DDAB biogenic Cc1cc(C(=O)Nc2ncc(C)s2)nc(N2CCOCC2)n1 71195516 RDMQOBSDKCTSFL-UHFFFAOYSA-N 319.390 1.639 0 40 DDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnccn1 9390125 MQDJTKFBKVFBON-AWEZNQCLSA-N 324.340 1.472 0 40 DDAB COC(=O)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1F 79094250 DOTBZXIIKHQTOH-SKDRFNHKSA-N 306.297 1.009 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1 25771892 CSDBLLACMPNDLL-DOMZBBRYSA-N 324.446 1.904 0 40 DDAB Cc1cc(=O)[nH]c([C@H](C)N2CCN(c3nc(C)ns3)CC2)n1 84114342 OFSNSFQXFHCMOF-JTQLQIEISA-N 320.422 1.121 0 40 DDAB CCc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)CC2)cc1 71803857 OWCKSONUKDSISE-GFCCVEGCSA-N 310.419 1.750 0 40 DDAB O=C(NCC(=O)N1CCCCC1)N[C@@H]1CCN(C2CCCC2)C1 71882546 NVCVJGCOBYJEOB-CQSZACIVSA-N 322.453 1.315 0 40 DDAB CN1CCN(CCNC(=O)C[C@@H]2CCc3ccccc3C2)CC1 71899386 FJSPMNGMNQOZOE-MRXNPFEDSA-N 315.461 1.545 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)CCNc1ncccn1)C2 72279886 UKZGFNQUVAIXDG-UHFFFAOYSA-N 315.381 1.036 0 40 DDAB COC(=O)CCN1CCN(Cc2nc3ccccc3[nH]2)[C@@H](C)C1 97099210 BQXZAHUCUBHHMY-ZDUSSCGKSA-N 316.405 1.632 0 40 DDAB CSCCCN1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 84281192 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CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1CCCN1C 95955538 URVCNCWHYGWQRZ-IRXDYDNUSA-N 315.417 1.170 0 40 DDAB O=C(c1n[nH]c(O)n1)N1CC(OCc2cccc3ccccc23)C1 75093109 BJVOWOXNOHCTTG-UHFFFAOYSA-N 324.340 1.705 0 40 DDAB Cc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(=O)[nH]1 75118428 ILSSTSDWZQHJDW-MRXNPFEDSA-N 311.385 1.812 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCOc3cc(F)ccc32)cc1 75141002 RVGRCWVMEMJLIE-UHFFFAOYSA-N 300.289 1.964 0 40 DDAB O=C(NCCCc1cccc(F)c1)NC[C@]1(O)CCSC1 89775061 HHVRARDWSDDJJD-OAHLLOKOSA-N 312.410 1.926 0 40 DDAB C[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1cccnc1 122566914 XLENUHURZWZHIO-ZDUSSCGKSA-N 316.405 1.797 0 40 DDAB COC1(C(=O)NCc2cccc(N3CC[C@H](N)C3)n2)CCCC1 1550196339 YYYPBOKXEWBVIT-ZDUSSCGKSA-N 318.421 1.194 0 40 DDAB COc1cc2c(cc1OC)[C@@H]1CCN3C(=O)CC[C@@H]3N1CC2 61953323 XMBORYXHUFGCCB-XJKSGUPXSA-N 302.374 1.955 0 40 DDAB COCc1ccccc1CNC(=O)CCCNC(=O)C1CC1 33047225 SFUZTAPWYMTWAH-UHFFFAOYSA-N 304.390 1.756 0 40 DDAB CCC[C@]1(C)C(=O)NCCN1Cc1csc(NC(C)=O)n1 187310871 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Cn1cccc1C(=O)N1CC2(CCN(Cc3ncccn3)C2)C1 1072480151 ZIVIFTMSJNXLDZ-UHFFFAOYSA-N 311.389 1.163 0 40 DDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cnoc1C 238837264 GZZSZRFSSCSDCU-QGZVFWFLSA-N 316.357 1.946 0 40 DDAB C[C@H](O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 96494417 WYCLUUHABSWVSD-UWVGGRQHSA-N 313.195 1.525 0 40 DDAB CCOc1ncnc2c1CCN(C(=O)C1CCOCC1)CC2 96058776 QPCFZUYBQOOOGL-UHFFFAOYSA-N 305.378 1.229 0 40 DDAB COc1ccccc1N1CCC[C@H](NC(=O)c2ccc[nH]2)C1=O 96411309 BTPORNGVKFQGEH-ZDUSSCGKSA-N 313.357 1.949 0 40 DDAB O=C(c1ccoc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96188557 HNHQLNBTHWIHRP-ZDUSSCGKSA-N 311.345 1.645 0 40 DDAB CC(=O)N[C@@H](C(=O)N[C@H]1CCc2nc(C)cn2C1)C1CCCC1 97198811 KSNUBSQWZJUDPD-GOEBONIOSA-N 318.421 1.317 0 40 DDAB Cc1cccc(CC(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 96454790 RKPXJMLVGQOAAJ-QGZVFWFLSA-N 302.418 1.718 0 40 DDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N[C@H]1CCN(C)C1=O 96415311 HNJOMKUOFANBJB-ZANVPECISA-N 311.332 1.426 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)C[C@H]1O2 96100400 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DDAB COC(CNC(=O)c1ccnc(OCC2CCOCC2)c1)OC 253471556 DGMXBFNQWRZCEK-UHFFFAOYSA-N 324.377 1.236 0 40 DDAB CC1(C)[C@H](NCCS(=O)(=O)NCC2CCC2)[C@H]2CCO[C@H]21 253369401 CCMNLGNBYDHHHM-MGPQQGTHSA-N 316.467 1.109 0 40 DDAB CN1CC[C@H](NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)C1=O 363553903 YKCOZOWRFVDYOM-GJZGRUSLSA-N 319.380 1.773 0 40 DDAB O=C1CN(C2CC2)C(=O)[C@H](c2ccccc2Br)N1 390825771 ALRMGWFQGIFYKQ-LBPRGKRZSA-N 309.163 1.611 0 40 DDAB Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)nn1C 575410748 FGLIPTRBAOITBQ-GOEBONIOSA-N 310.357 1.898 0 40 DDAB CO[C@H]1[C@H](C(=O)N2Cc3ccccc3C2)CC[C@H]1N(C)C(C)=O 585281088 STSQDAHPYGXFFR-ZACQAIPSSA-N 316.401 1.801 0 40 DDAB CO[C@@H]1CCN(C(=O)CCCc2ccncc2)C[C@H]1CC(N)=O 585275803 HGNXOHGQVBIKPJ-HUUCEWRRSA-N 319.405 1.143 0 40 DDAB Cc1nc2ccccn2c1CC(=O)N[C@H](C)CN1CCOCC1 585171870 JVAIDJGADAUESD-CYBMUJFWSA-N 316.405 1.022 0 40 DDAB CC(C)Oc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 44456469 DZHKDRYWDREZHO-GFCCVEGCSA-N 311.403 1.638 0 40 DDAB C[C@@H]1NCCCN(CCO)CCCN[C@@H](C)c2cccc1n2 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Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(=O)[nH]2)cc1 18154838 GQKVYUPAOHKOJO-SECBINFHSA-N 304.375 1.780 0 40 DDAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ccnc2ncnn12 19400081 NPDHGGGJCFFIDZ-CYBMUJFWSA-N 308.345 1.887 0 40 DDAB CCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930430 YWEXOMSBQZHTLA-UHFFFAOYSA-N 310.419 1.586 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](n2ccnn2)C1 206932154 ZEMYCYWMNGRGHH-LBPRGKRZSA-N 300.318 1.023 0 40 DDAB CN(C)c1ccc(C2CCN(CC3(O)CCOCC3)CC2)nc1 607853372 UYTSWMYFLHBNJE-UHFFFAOYSA-N 319.449 1.869 0 40 DDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC1CCCC1 5272616 JUDACBWFPGBTGS-UHFFFAOYSA-N 322.386 1.280 0 40 DDAB O[C@@H]1O[C@H]([C@@H]2N[C@@H]2c2cccs2)N2[C@H]1[C@@H]2c1cccs1 256000591 RYUJUWWXTHBUSR-VFTUYNSUSA-N 306.412 1.923 0 40 DDAB O=S1(=O)CC[C@@H](NCc2csc(-c3ccccn3)n2)C1 35053811 MEOVFTSLRSGLRU-SNVBAGLBSA-N 309.416 1.482 0 40 DDAB C/C=C/C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 5135802 BHJJSSMSEKTLRZ-SNAWJCMRSA-N 311.359 1.384 0 40 DDAB O=S(=O)(Cc1ccccc1Cl)N1CC(n2nccn2)C1 1888873372 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O=C(NCc1ccccc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5351984 YBIHADVCCSHACW-CQSZACIVSA-N 318.373 1.105 0 40 DDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 17244039 OKYZJIQYDLQHOI-DTORHVGOSA-N 310.350 1.643 0 40 DDAB CC1CCN(C(=O)CN2CCC(NC(=O)C(C)(C)C)CC2)CC1 1004020620 GBIULMCFATYHPM-UHFFFAOYSA-N 323.481 1.872 0 40 DDAB COc1ccc(CC(=O)NCCNc2ccc(C)nn2)cc1 36705692 FKCIYQIECCJPPV-UHFFFAOYSA-N 300.362 1.564 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CCO1 30596855 YAOUAHYWJZUIIE-CYBMUJFWSA-N 312.391 1.309 0 40 DDAB O=CN1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 40266683 DFXRBXVKROAHGN-UHFFFAOYSA-N 305.765 1.595 0 40 DDAB CCOc1cc2c(cc1CNC(=O)Cn1cccn1)O[C@H](C)C2 40476088 SXAMVYKLJRTUNJ-GFCCVEGCSA-N 315.373 1.922 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553761 RCJNTLWVSSBESZ-GFCCVEGCSA-N 301.350 1.480 0 40 DDAB O=C(CN1CCSC1=O)NC[C@H]1CCN(c2ccccc2)C1 40510952 PRHMYRZWEDNMRD-CYBMUJFWSA-N 319.430 1.798 0 40 DDAB O=C(COc1ccc2ccc(=O)oc2c1)NCC(F)(F)F 3341537 VMCSIFOFJNEQDG-UHFFFAOYSA-N 301.220 1.850 0 40 DDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1ccc(Cl)s1 46110469 FBNSOXKEMZHTOD-SSDOTTSWSA-N 307.824 1.983 0 40 DDAB O=C(O)c1cccnc1C(=O)N[C@@H](C(=O)O)c1ccccc1 6344643 XPFQMHJQJPYSJN-LLVKDONJSA-N 300.270 1.336 0 40 DDAB Cc1nnnn1-c1cccc(NCC(=O)NC2CCCCC2)c1 29687457 SBOUEIWOHPBETH-UHFFFAOYSA-N 314.393 1.832 0 40 DDAB Cc1cn2nc(NCCC(=O)N3C[C@H](C)O[C@@H](C)C3)sc2n1 52445354 RJOIHSXRONVYRW-QWRGUYRKSA-N 323.422 1.537 0 40 DDAB O=C(Cn1cnc2cc(F)ccc2c1=O)NCc1ccco1 8328934 NDGKQOHBGQTKDR-UHFFFAOYSA-N 301.277 1.445 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(C)=O)c1 8392968 OZLMPLIBWWQGSN-UHFFFAOYSA-N 313.423 1.742 0 40 DDAB NC(=O)Nc1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 32899191 QRSSMRFFVNMKCJ-HNNXBMFYSA-N 311.341 1.797 0 40 DDAB C[C@@H](OC(=O)CCNC(=O)c1ccccc1)C(=O)NC1CC1 32947083 CKCCWNMUMYBIJC-LLVKDONJSA-N 304.346 1.017 0 40 DDAB Cc1nn(C)c(C(=O)NC2=NCCS2)c1Br 2768023 WIFWIFYVQZHOEF-UHFFFAOYSA-N 303.185 1.324 0 40 DDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 103507415 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c1ccn2cc(CN3CCN(C[C@@H]4CCCO4)CC3)nc2c1 61783289 WMGXZJVOWWHEAV-INIZCTEOSA-N 300.406 1.631 0 40 DDAB C[C@H](Cc1ccco1)NS(=O)(=O)c1ncn(C)c1Cl 26880970 COJPWUVAEPRIAW-MRVPVSSYSA-N 303.771 1.576 0 40 DDAB C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)NC(N)=O 58161937 QVASDNPWTGIFGK-YUMQZZPRSA-N 303.284 1.939 0 40 DDAB CCOC(=O)c1ccc(NC(=O)NCc2nncn2CC)cc1 58144698 PBUDHIQCGZASFX-UHFFFAOYSA-N 317.349 1.796 0 40 DDAB CCOC(=O)N1CCCN(CC(=O)Nc2cccc(F)c2)CC1 58191576 BTJMPIXELFKLDG-UHFFFAOYSA-N 323.368 1.928 0 40 DDAB CCCOc1ccc(Oc2nc(NCC)nc(N(C)C)n2)nn1 2117773 DOQZXTDUWXGOAK-UHFFFAOYSA-N 319.369 1.741 0 40 DDAB NC(=O)NC[C@H]1CCCN(Cc2cnn(-c3ccccc3)n2)C1 44975688 KXRNEVKXWCOVQH-CYBMUJFWSA-N 314.393 1.148 0 40 DDAB COCCn1cc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cn1 44973118 MPASGMXGXSRQQL-LBPRGKRZSA-N 308.382 1.562 0 40 DDAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCSCC1 44954972 FQJHDCFFANJUNH-CYBMUJFWSA-N 303.391 1.032 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2cscn2)CC1 58309342 SNCNMDDRFKQDKG-CYBMUJFWSA-N 324.494 1.954 0 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CC(=O)NC1(C(=O)N2CCC[C@@H](n3cccn3)C2)CCCCC1 65609707 UXGIKOHPDVWATE-OAHLLOKOSA-N 318.421 1.886 0 40 DDAB Cc1ccc(NC2CCN([C@H](C)C(=O)NC(N)=O)CC2)cc1 65609379 SOGREXILACZVGA-GFCCVEGCSA-N 304.394 1.455 0 40 DDAB CC(C)c1nc(CN2CCO[C@H](Cn3cncn3)C2)cs1 69951416 WYKGVLAHLXVNHH-ZDUSSCGKSA-N 307.423 1.759 0 40 DDAB C/C=C/c1ccc(OC[C@H](O)CN[C@H](CC)CO)c(OC)c1 6552537 SSOTZYNVHANWFJ-WYVSAIIBSA-N 309.406 1.829 0 40 DDAB CCN(CC)C(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 8783030 KMNSFCCKCIBJEH-LLVKDONJSA-N 316.398 1.849 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 7001391 ZCRUPIPPBSQXNS-HNNXBMFYSA-N 303.406 1.103 0 40 DDAB CC[C@H](C)NC(=O)CCNC(=O)c1cccc(C[S@@](C)=O)c1 80431974 HUWDIHBCLWMPPV-YTEVENLXSA-N 324.446 1.600 0 40 DDAB CCc1ccccc1NC(=O)CN1C(=O)N[C@](C)(CC)C1=O 7653630 JRWDEAWUTWPYPI-MRXNPFEDSA-N 303.362 1.908 0 40 DDAB CCN(CC(=O)NCc1cccs1)CC(=O)NC1CCCC1 16373343 PQNCMGJRRIXUCQ-UHFFFAOYSA-N 323.462 1.745 0 40 DDAB CN1CCC(N2CCC(CNCc3ccncc3)CC2)CC1 19735499 XPYZZLHFNVDYGE-UHFFFAOYSA-N 302.466 1.977 0 40 DDAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)noc2N)cc1 9314082 YWGNLASGAWRDTD-VIFPVBQESA-N 319.317 1.758 0 40 DDAB CC1(C)CCC[C@@H]1NCCS(=O)(=O)N1CCSCC1 96477307 JYHLGUVQDKPYSO-LBPRGKRZSA-N 306.497 1.533 0 40 DDAB COC(=O)c1ccc(-c2noc(CCN3CCCC3=O)n2)cc1 96405347 FALBKANMKFTZDY-UHFFFAOYSA-N 315.329 1.688 0 40 DDAB c1ccc(-n2cncn2)c(CNC[C@@H]2CN(C3CC3)CCO2)c1 71880878 YWLAXLVUWMXVEG-MRXNPFEDSA-N 313.405 1.220 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cc1cnn(-c2ccccc2)n1 71852373 PSMVZVZVYQRDOV-QWHCGFSZSA-N 300.362 1.446 0 40 DDAB Cc1cc(C)nc(NNC(=O)[C@H]2CC(c3ccccc3)=NO2)n1 71818683 PUQVULVCLAVMLY-CQSZACIVSA-N 311.345 1.730 0 40 DDAB CC1(C)CN(C(=O)CCn2cnc3sccc3c2=O)CCO1 71843097 CRRFBKWHWIQLPH-UHFFFAOYSA-N 321.402 1.486 0 40 DDAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 76068502 DJWCVOAJCGVYNV-ZMSDIMECSA-N 316.401 1.858 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@@H](C)OC2=O)c1C 9835365 UGEPDDYVBSXORE-GMSGAONNSA-N 309.318 1.669 0 40 DDAB CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 76058687 WFCIGJLUZXLZSR-WBMJQRKESA-N 324.446 1.724 0 40 DDAB Cc1cc(C(=O)Nc2ccn(CCCN3CCCC3)n2)no1 72290131 LPGFBDCJIQAMLR-UHFFFAOYSA-N 303.366 1.918 0 40 DDAB CCc1nnsc1C(=O)N1CCc2nnc(N(C)C)cc2C1 72279521 PZEBVTGPUZJUPK-UHFFFAOYSA-N 318.406 1.155 0 40 DDAB CN(C)c1nc(N)nc(COc2ccc(-n3cccn3)cc2)n1 72291799 YARVQLCVSQYWIE-UHFFFAOYSA-N 311.349 1.285 0 40 DDAB CCOC(=O)c1ccc(CN[C@H]2CCc3nc(C)nn3C2)o1 97032941 FLLATBURQRVIQO-NSHDSACASA-N 304.350 1.461 0 40 DDAB CN(C)c1ccc(CCNC(=O)NCCc2cnn(C)c2)cc1 84318382 FCEXDULJSUPNAZ-UHFFFAOYSA-N 315.421 1.571 0 40 DDAB O[C@@H](CN1CCN(CC2CC2)c2ccccc21)Cn1cccn1 72696292 HGSKYCZULPJUNL-INIZCTEOSA-N 312.417 1.981 0 40 DDAB Cn1cc(C[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2=O)cn1 72675351 IXJZQLYHCXDACK-CYBMUJFWSA-N 301.321 1.677 0 40 DDAB COc1cc(OC)cc(-n2nnnc2CN(C)CC2CC2)c1 95418526 VUFTWJMCYRARTC-UHFFFAOYSA-N 303.366 1.521 0 40 DDAB CS(=O)(=O)N1CCC(NC[C@H]2CCOc3ccccc32)CC1 95422217 NJESEKWEQQCOCY-CYBMUJFWSA-N 324.446 1.566 0 40 DDAB C[C@H]1CCCCN1C(=O)CCNC(=O)N[C@H](C)c1cnn(C)c1 95404558 LEWIAMRVYXIESW-QWHCGFSZSA-N 321.425 1.571 0 40 DDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCCC2 97915075 JDJOOTDXOZFCGA-NSHDSACASA-N 321.402 1.231 0 40 DDAB Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)C(C)C)c2)n[nH]1 78824564 AQZPOSUWWMFCAC-SNVBAGLBSA-N 315.377 1.879 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1CCC[C@H](N(C)C)C1 74536489 FAAQCGAEYGTMAW-AWEZNQCLSA-N 307.442 1.775 0 40 DDAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cnsn1 89313379 JHGHDYKBFIEGON-GFCCVEGCSA-N 316.386 1.317 0 40 DDAB COC(=O)[C@@H](NC(=O)Cc1cn2ccsc2n1)C(C)(C)C 75143969 LJIZTYAQCWBVLE-LLVKDONJSA-N 309.391 1.642 0 40 DDAB CC(C)(C)OC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 89662519 SLGGXAYHZKPSDL-OAHLLOKOSA-N 306.406 1.930 0 40 DDAB Cc1cccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)c1C 36635288 PETBULGINGZOTJ-LBPRGKRZSA-N 303.387 1.946 0 40 DDAB Cc1cc(C)cc([C@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)O)c1 548589623 AGCGICUIKLUXQI-STQMWFEESA-N 313.375 1.137 0 40 DDAB CC(C)c1nnc2n1C[C@H](NC(=O)CC[C@@H]1CCCO1)CC2 65475818 ANUAOHLDAWOJDW-OLZOCXBDSA-N 306.410 1.792 0 40 DDAB CCCS(=O)(=O)N1CCN(C)[C@H](c2ccc(OC)cc2)C1 65281854 QWEJMXBKZYATML-HNNXBMFYSA-N 312.435 1.724 0 40 DDAB Cn1cc(-c2cc(C(F)F)n3nc(CC(=O)O)nc3n2)cn1 35655498 VIHVIJYZPYQGKA-UHFFFAOYSA-N 308.248 1.090 0 40 DDAB COc1ccc(CNS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239305 RTTJZTYVUMQACJ-UHFFFAOYSA-N 309.391 1.951 0 40 DDAB NCC1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218035680 BFJXUQYNYILNKN-HOTGVXAUSA-N 316.426 1.530 0 40 DDAB Cc1nnc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)s1 182261838 BTDAMZZINXHOQC-SNVBAGLBSA-N 306.347 1.662 0 40 DDAB Cc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(C(C)C)c1 72239157 KRASUYXPLRPSDY-UHFFFAOYSA-N 311.411 1.293 0 40 DDAB O=C1C[C@]2(CCN(C(=O)NCc3ccc4c(c3)CCO4)C2)CN1 519518458 UGKDMCCLAOYPPU-QGZVFWFLSA-N 315.373 1.043 0 40 DDAB CC(=O)N1CC[C@H](NC(=O)CCc2ncc[nH]2)c2ccccc21 566756574 QGCNCFDBIWCTSJ-AWEZNQCLSA-N 312.373 1.956 0 40 DDAB Cc1cccc([C@H](C)N2CCC[C@H](CNS(N)(=O)=O)C2)c1 75718587 LBPNVVDPCXPRIV-UONOGXRCSA-N 311.451 1.561 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(COC)cc1 83028407 FCGPXXGPYHKLFD-NEPJUHHUSA-N 313.419 1.910 0 40 DDAB O=C(O)c1ccc(OCCN2CCS(=O)CC2)c(Cl)c1 568642081 XDLBGGWXIBVZLP-UHFFFAOYSA-N 317.794 1.481 0 40 DDAB CCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225737507 DIIFBTREGBQBCG-UHFFFAOYSA-N 309.163 1.900 0 40 DDAB CN=c1nc(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc(C)[nH]1 569657981 AZQRCIPFVHNZLP-UHFFFAOYSA-N 324.384 1.642 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224841137 IJRJYBWINSNOKT-CYBMUJFWSA-N 312.435 1.924 0 40 DDAB O=C(NCc1ccncc1)c1nnn(-c2ccc(Cl)cc2)n1 75163659 LUMXBBQLXXXRKW-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB CCOC(=O)C(C)(C)c1csc(CN2C(=O)CCC2=O)n1 225565612 XGPJGMZYDZKSCB-UHFFFAOYSA-N 310.375 1.633 0 40 DDAB COC(=O)[C@]1(C)CC(c2cnc(N3CCCCC3)nc2)=NO1 226084599 FPVCMUQKVHGSSQ-HNNXBMFYSA-N 304.350 1.523 0 40 DDAB CCCN1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 96158953 YZRRADGGBQPMLK-UHFFFAOYSA-N 303.406 1.799 0 40 DDAB Cc1cnc(C(=O)N2CCN(c3ccncc3Cl)CC2)cn1 95437751 KVAGADCMDPYXOC-UHFFFAOYSA-N 317.780 1.796 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)C1CCN(CC(C)C)CC1)CC2 97198947 MRRZEOFHJLPYEQ-OAHLLOKOSA-N 319.453 1.386 0 40 DDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(N)cc1Cl 97104505 PMKMTDXXRDZYMW-UFBFGSQYSA-N 304.799 1.519 0 40 DDAB CC(C)CC(=O)N1CC[C@@]2(COCc3cnc(N(C)C)nc32)C1 96244033 FRYSIMNXUCCXKI-KRWDZBQOSA-N 318.421 1.589 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)ccc1C 236754819 NVZXGCUOPZAGMJ-CYBMUJFWSA-N 304.346 1.890 0 40 DDAB O=C([C@H]1CCCO1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 247803874 HMIGUAUAIDGJIC-GDBMZVCRSA-N 319.405 1.447 0 40 DDAB CNC(=O)C1(CCCc2ccccn2)CCN(CCOC)CC1 257202458 ALWJYAANSKTMQO-UHFFFAOYSA-N 319.449 1.879 0 40 DDAB CC1(c2ncc(C(N)=O)s2)CCN(C2CCOCC2)CC1 257336506 YOTHSMUBLZRNOF-UHFFFAOYSA-N 309.435 1.775 0 40 DDAB CNS(=O)(=O)[C@@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 253370926 YDPZPRYUPWDPJF-IUODEOHRSA-N 314.426 1.770 0 40 DDAB CC(C)c1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)on1 257277025 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O=C(c1ccccn1)N1CC[C@@H]2[C@H]1CCN2CC1CCOCC1 96184458 BHDHYKRROAXQGQ-IAGOWNOFSA-N 315.417 1.797 0 40 DDAB C[C@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCSCC1 97379377 KREOUJCJJIPVEJ-UKRRQHHQSA-N 323.462 1.362 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cc(C)nn3CC)[C@@H]2C1 96109410 FSVTWJIQLVSBTI-IMJJTQAJSA-N 320.437 1.393 0 40 DDAB COc1cc(CNC(=O)CCn2cncn2)c2ccccc2n1 96426777 SVRRNOVWWJQSRW-UHFFFAOYSA-N 311.345 1.541 0 40 DDAB CN(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 231182446 NDNCCUCKGXVEOX-VIFPVBQESA-N 318.370 1.831 0 40 DDAB Cn1cc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)cn1 96092203 OEURLIIFRUSMGW-HOTGVXAUSA-N 311.389 1.585 0 40 DDAB CCN1CCOC[C@@]2(CCCN(C(=O)c3ccnnc3)C2)C1 96049608 VUMLVLBBPVNDGQ-INIZCTEOSA-N 304.394 1.051 0 40 DDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3ccoc3)CC2)C1 96047817 CLHJTCWGLCGYJO-HNNXBMFYSA-N 322.405 1.508 0 40 DDAB Cc1cncc(C(=O)N2CCc3ncnc(N(C)C)c3CC2)c1 96255408 NTPIJALERRIQPH-UHFFFAOYSA-N 311.389 1.487 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccco2)cn1 96186476 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C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1O 253370288 OSKIFUPJUNAWOJ-OIISXLGYSA-N 319.449 1.108 0 40 DDAB COCCN(C)C(=O)c1ccccc1-n1cc(CN(C)C)cn1 257228713 FUYHUBJDUZYGJE-UHFFFAOYSA-N 316.405 1.652 0 40 DDAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2nccn2C)nc1 257305896 SRZWBIJMOVZIET-MRXNPFEDSA-N 313.405 1.788 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)c2cc(C)nc(O)n2)ccn1 257218573 DDPMUCGCFWHMLN-CYBMUJFWSA-N 313.361 1.905 0 40 DDAB O=C(Nc1cccnc1N1CCCC1)N1CCc2[nH]ncc2C1 299357392 UCENRRMGVDRYQQ-UHFFFAOYSA-N 312.377 1.995 0 40 DDAB CCOC[C@H]1CCn2cncc2CN1C(=O)c1ccnnc1 585097194 INQSMYLQQMETGG-CYBMUJFWSA-N 301.350 1.124 0 40 DDAB CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)CC(N)=O)cc1 47628914 ZRGPUGCISYHYNT-ZDUSSCGKSA-N 305.422 1.479 0 40 DDAB COC(=O)[C@H](C)N1CCN(Cc2cn3ccccc3n2)CC1 51533089 VLDIKJXXDOBEIU-ZDUSSCGKSA-N 302.378 1.013 0 40 DDAB C[C@@H](C(=O)N(C)CC(=O)NCCC1=CCCCC1)n1cccn1 54362528 FOZAWARIWKBXOB-AWEZNQCLSA-N 318.421 1.909 0 40 DDAB O=C(Cc1c(F)cccc1Cl)NCCc1nnc2n1CCC2 54562523 LPBLXSYEPSVSCE-UHFFFAOYSA-N 322.771 1.918 0 40 DDAB COC(=O)[C@H]1CC(=O)N(Cc2cccc(Br)c2)C1 35959606 NQUVLSHOQCRWTA-JTQLQIEISA-N 312.163 1.971 0 40 DDAB Cc1cc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)ccn1 1548453722 UIKNWOSPGAEDSC-CYBMUJFWSA-N 302.378 1.200 0 40 DDAB Cc1ccc(N2CCCN(C(=O)CN(C)C(C)C)CC2)nn1 69493181 LQBJMSJBJYROOL-UHFFFAOYSA-N 305.426 1.164 0 40 DDAB c1ccc(CCCN2CCN(c3ccc4nncn4n3)CC2)cc1 69878495 HRTOLUVCZYQTHE-UHFFFAOYSA-N 322.416 1.879 0 40 DDAB O=C(O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327732 SGHFOSLAIOLGNO-INIZCTEOSA-N 303.314 1.488 0 40 DDAB O=C(CCN1CCCC[C@H]1Cn1cncn1)N1CCCCC1 75131954 CHNNHAWRYWCKIL-HNNXBMFYSA-N 305.426 1.535 0 40 DDAB Cc1nn(CC(=O)N[C@](C)(CC(C)C)C(N)=O)c(C)c1Cl 75136784 LVDLCABJQRQJHT-CQSZACIVSA-N 314.817 1.560 0 40 DDAB C[C@@](O)(CNC(=O)Nc1nnc2ccccn12)c1ccco1 78937241 PFIOFIWQKGTLMN-CQSZACIVSA-N 301.306 1.352 0 40 DDAB O=C(Cn1ccccc1=O)N1CCC[C@H]1c1noc(C2CC2)n1 84606393 FCTHULOJOPPTKT-LBPRGKRZSA-N 314.345 1.472 0 40 DDAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cccnc1 5927203 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1.605 0 40 DDAB Cn1c(=O)c2c(nc(OC3CCCCCC3)n2C)n(C)c1=O 13284793 ZDVVOJQIAFYYLU-UHFFFAOYSA-N 306.366 1.072 0 40 DDAB C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 93467943 IBPZSXPJZASLOK-ZJUUUORDSA-N 305.346 1.889 0 40 DDAB COc1cccc2cc(C(=O)NCc3nnc(C)o3)c(=O)oc12 36709909 IQSOJTAADAIMJD-UHFFFAOYSA-N 315.285 1.423 0 40 DDAB Cn1cc(-c2ccc(CNC(=O)OC[C@@H]3CCOC3)cn2)cn1 575617742 ZVAWPWLJOXIBBT-CYBMUJFWSA-N 316.361 1.745 0 40 DDAB CC(C)(C)CC(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19082720 APDHDIXVFWYHTE-GFCCVEGCSA-N 302.422 1.874 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(CCC(C)C)C1=O 40059266 AVQJYAHQWIZPES-MRXNPFEDSA-N 311.426 1.895 0 40 DDAB COC(=O)c1cnc(NC(=O)c2cccnc2N(C)C)s1 31713072 KQFAWAFPYYOGFJ-UHFFFAOYSA-N 306.347 1.643 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCCC2)no1 40528868 USLXAIOMWWGFFD-NSHDSACASA-N 314.407 1.735 0 40 DDAB CN1CCN(c2nc(C(=O)O)cc(-c3cccs3)n2)CC1 11729824 BEUHVOZMUCZRFE-UHFFFAOYSA-N 304.375 1.655 0 40 DDAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cc[nH]n2)CC1=O 60168933 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DSKLNTORHNNTED-UHFFFAOYSA-N 300.358 1.467 0 40 DDAB O=C1NS(=O)(=O)[C@@H]2C(Cl)=C(Cl)[C@@]3(Cl)[C@H]2[C@@]13Cl 104088310 XUUFIFMBRBNMQE-FFQAUZOYSA-N 322.984 1.102 0 40 DDAB CCCCc1nc(CN2CCC(N3CCNC3=O)CC2)no1 53611489 XKZSZUITMMFDRT-UHFFFAOYSA-N 307.398 1.402 0 40 DDAB O=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)OCCO2 892031 YMKWGHGDTPTYIT-UHFFFAOYSA-N 310.313 1.841 0 40 DDAB Cc1nc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)sc1C 23141939 BCYLKKCRNYLELS-UHFFFAOYSA-N 308.363 1.016 0 40 DDAB CS[C@H](C)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 42855809 IVPOMTPNZKZGRH-CHWSQXEVSA-N 312.435 1.829 0 40 DDAB CN1CCN2CCN(c3cc(C(F)(F)F)ccn3)C[C@H]2C1=O 106273564 HNHIORFRJGZXOU-NSHDSACASA-N 314.311 1.063 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1CCCOC1 55923290 LAVILBTZJBFNAU-ZDUSSCGKSA-N 315.373 1.329 0 40 DDAB Cc1cc(Br)oc1C(=O)N[C@@H]1CCS(=O)(=O)C1 44366990 DECNAWMFMSNQCS-SSDOTTSWSA-N 322.180 1.267 0 40 DDAB CN(C)C(=O)C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 57943015 KMZJMACUCBMMAZ-HNNXBMFYSA-N 324.396 1.366 0 40 DDAB CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2cn[nH]c2)cc1 58026640 ZTHISJFHUZKZHJ-CYBMUJFWSA-N 319.365 1.355 0 40 DDAB O=C(Nc1nncs1)N1CCC[C@H]1c1nnc2ccccn12 58024122 LXFNSCVMNPQTLV-VIFPVBQESA-N 315.362 1.950 0 40 DDAB Cc1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C 44865668 QLJJBVWSHZAOAR-OAHLLOKOSA-N 311.403 1.376 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCN(c3cnccn3)CC2)n1 27635472 JHMUVFAEOZKXKV-GFCCVEGCSA-N 302.382 1.866 0 40 DDAB COc1cccc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(C)on2)c1 44947615 TZVQYCCGYKWFCK-SNVBAGLBSA-N 324.358 1.793 0 40 DDAB CCn1c(NC(=O)c2scnc2C)c(NC)c(O)nc1=O 58392564 NOLJSGMOOFMVDF-UHFFFAOYSA-N 309.351 1.028 0 40 DDAB O=C(O)C[C@H](NCc1ccco1)C(=O)OCc1ccccc1 2230665 FMNDHIYJCFGUGE-AWEZNQCLSA-N 303.314 1.956 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCCCCn1ccccc1=O 58421081 HELLXVONLYZSCS-UHFFFAOYSA-N 317.437 1.526 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3nccs3)CC2)no1 36390072 WPHVBGXEBDVCJG-UHFFFAOYSA-N 307.379 1.200 0 40 DDAB CCCN1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 58847767 XOKCWHSEBFIYGY-UHFFFAOYSA-N 300.362 1.091 0 40 DDAB Cc1nccc(C(=O)N2CCCN(Cc3cscn3)CC2)n1 69776810 LIERNDASXQLDKY-UHFFFAOYSA-N 317.418 1.590 0 40 DDAB Nc1nccnc1C(=O)OCC(=O)Nc1cccc(Cl)c1 3525718 BEGMBTVLZXAOLK-UHFFFAOYSA-N 306.709 1.508 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(F)c1 3605956 HJXWXBFOMVHIMK-UHFFFAOYSA-N 305.309 1.629 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 69919169 QCFYQEQUSAWKBR-INIZCTEOSA-N 320.408 1.772 0 40 DDAB CNC(=S)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 6397151 UIOYSOJUACCAJI-JXMROGBWSA-N 322.415 1.212 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5341742 PJWPCFJNBDJDPS-UHFFFAOYSA-N 315.373 1.476 0 40 DDAB O=C(c1ccc(Cn2cccn2)cc1)N1CCOC[C@H]1CCO 92438107 SRFAKMDTOLCNSO-MRXNPFEDSA-N 315.373 1.155 0 40 DDAB Cn1cnnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 5560791 AOQALOCYHUNTFH-ZDUSSCGKSA-N 318.402 1.507 0 40 DDAB CCOC(=O)N1CCC(NC(=O)C[C@H](C)CC(=O)O)CC1 4784822 KGWLBCWPXJCAMM-JTQLQIEISA-N 300.355 1.224 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)N1CC[C@H]([C@@H](C)O)C1 96003355 HHEQZSPMUZDNTA-OCCSQVGLSA-N 321.373 1.506 0 40 DDAB CN1CCN(Cc2cc(=O)n3nccc3[nH]2)Cc2ccccc21 66498299 VWMXVIDRMKGHHG-UHFFFAOYSA-N 309.373 1.475 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCOC1=O 14914149 FRMARLHTFSMNNS-NSHDSACASA-N 312.753 1.534 0 40 DDAB COCC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 71186146 WBJXHZCBBQNUHY-UHFFFAOYSA-N 300.399 1.977 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cn1 9134607 GLQVWSZFTLTDCC-LLVKDONJSA-N 310.785 1.274 0 40 DDAB Cc1ccc(NC(=O)C(=O)NNc2cnccn2)c(Cl)c1 96013259 OILLYZZOCJBLLY-UHFFFAOYSA-N 305.725 1.520 0 40 DDAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@@H](O)c1ccccc1 89825777 YQJDPWCOFQRACH-CVEARBPZSA-N 316.401 1.627 0 40 DDAB C[C@@H]1CN(CCc2nc(=O)c3ccccc3[nH]2)CC(C)(C)O1 71831050 GGYXVEFWHNCFAI-GFCCVEGCSA-N 301.390 1.965 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1cnn(C)c1 71870471 FRWYLPAIDWZGTR-CVEARBPZSA-N 304.438 1.828 0 40 DDAB COCCc1noc(CN2CCC[C@H]2Cn2cc(C)cn2)n1 71876035 LRMOZOZRRFWVHH-ZDUSSCGKSA-N 305.382 1.428 0 40 DDAB Cc1ccccc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 71921229 DFOHSBRGZORWOJ-UHFFFAOYSA-N 307.375 1.488 0 40 DDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)NCc2cnn(C)c2)o1 84195322 KLJUTCHLQQUWEI-CYBMUJFWSA-N 324.406 1.493 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(N)=O 72290078 RBFBNVKOYFCPBT-BDJLRTHQSA-N 315.373 1.900 0 40 DDAB COc1cccc(CNC(=O)C2=NN(C(C)C)C(=O)CC2)c1 72271677 ZLTINYSAUNUTRL-UHFFFAOYSA-N 303.362 1.698 0 40 DDAB Cc1ccccc1C(=O)NCCC(=O)N1CCC(C(=O)O)CC1 72291170 HXSRLLAXPNCDGH-UHFFFAOYSA-N 318.373 1.438 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1ccc(CO)o1 72298342 BGMAQPUDFIHDNO-CXAGYDPISA-N 319.405 1.990 0 40 DDAB CCc1cc(NC(=O)NCC[S@](=O)c2ccccc2)n(C)n1 76070470 GJWRWRMUSWZPEN-JOCHJYFZSA-N 320.418 1.912 0 40 DDAB COc1c(CN2CCC(OC[C@H]3CCOC3)CC2)c(C)nn1C 97108583 GHZJEUKIDGMJQV-AWEZNQCLSA-N 323.437 1.755 0 40 DDAB COCCn1ccc(NC(=O)NC2Cc3ccccc3C2)n1 97140891 QFSQIESFOGYLPO-UHFFFAOYSA-N 300.362 1.818 0 40 DDAB Cc1ccc(-n2cc(C(=O)N[C@@H]3CCc4nccn4C3)nn2)cc1 97197572 IXSIMJCTBKZVRN-CYBMUJFWSA-N 322.372 1.517 0 40 DDAB CNc1snc(C)c1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76056933 CBHQLGGDWOCACD-PWSUYJOCSA-N 324.450 1.286 0 40 DDAB CCC(CO)(CO)NC(=O)c1cn(-c2ccccc2)nc1C 97376861 XWLQAPNVCRDXOW-UHFFFAOYSA-N 303.362 1.044 0 40 DDAB CCc1cnc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)o1 76058950 LQLJBLLXDMBDJV-MEDUHNTESA-N 320.393 1.389 0 40 DDAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCCCO 84409252 YWHOTRKUEQTWGE-CYBMUJFWSA-N 314.332 1.218 0 40 DDAB O=C(CC1(O)CCCCC1)N[C@H]1CCN(c2ccccn2)C1 95435582 NIXCTRBCEGYWRN-AWEZNQCLSA-N 303.406 1.862 0 40 DDAB CCOCCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F 78904421 JLHAXKXTIXKJJR-UHFFFAOYSA-N 312.313 1.801 0 40 DDAB Cc1ccc(CCC(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)o1 85295396 MRDLCTHWDRIHRR-KBPBESRZSA-N 313.419 1.945 0 40 DDAB COCCN1CCC(CNC(=O)CCn2cc(C)cn2)CC1 89702477 BSWUMTJBNUAIHJ-UHFFFAOYSA-N 308.426 1.056 0 40 DDAB NC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 41161966 KNKBBHJIXSZFFX-VIFPVBQESA-N 324.324 1.054 0 40 DDAB Cc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH]c(=O)c1C 67172881 MZNMATHQSAVTDS-NSHDSACASA-N 308.382 1.490 0 40 DDAB COC[C@H](C)CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 171968439 IMYORRDYNBUSCU-HUUCEWRRSA-N 313.442 1.023 0 40 DDAB Cn1ccc(N2CCC[C@@H](Nc3cnn(C(C)(C)C)c3)C2=O)n1 186266603 AMXOJUMCAUEBEY-CYBMUJFWSA-N 316.409 1.979 0 40 DDAB O=C(O)CCCS(=O)(=O)N1CCOC2(CCCCCC2)C1 515839602 LEBRXTFBQSZWEX-UHFFFAOYSA-N 319.423 1.606 0 40 DDAB Cc1nc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c(C)o1 518928559 SNIXLZQWCJRVEE-LLVKDONJSA-N 322.409 1.012 0 40 DDAB Cc1cc(Nc2cccc([C@@H]3CCCN3CC(N)=O)n2)no1 72383054 SICJCKVERJZXQX-LBPRGKRZSA-N 301.350 1.744 0 40 DDAB Cc1nc2sc(C(=O)NCc3ccncc3)c(C)c2c(=O)[nH]1 31868318 DNFIQGABIZLNSR-UHFFFAOYSA-N 314.370 1.926 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1-c1cccnc1 72324838 WYIMZPPFHCMAKZ-FHLIZLRMSA-N 312.417 1.512 0 40 DDAB COCCCNC(=O)CN1CCN(c2cccc(C)n2)C[C@H]1C 79355247 ILUHOODIHVWNRR-OAHLLOKOSA-N 320.437 1.053 0 40 DDAB COc1ccc(NC(=O)CNC(=O)c2cc(C)nn2C)cc1 40757435 QHRRGPDKTNSMRX-UHFFFAOYSA-N 302.334 1.106 0 40 DDAB COc1ccc(C(=O)NCCSc2nc(C)n[nH]2)cc1C 222961058 WDNAYRGBRQTLJR-UHFFFAOYSA-N 306.391 1.952 0 40 DDAB O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)C1(c2cccs2)CCCC1 85469336 VFPQTPZVQWNJJR-YNEHKIRRSA-N 309.431 1.808 0 40 DDAB Cc1occc1C(=O)NCC(=O)NCC1(O)CCCCCC1 81761740 OVJUIFZDGQWFSK-UHFFFAOYSA-N 308.378 1.519 0 40 DDAB Cc1cnc(C)c(N2CCC(C(=O)N3CCSCC3)CC2)n1 137837880 BQOAYEWMKYMHJF-UHFFFAOYSA-N 320.462 1.885 0 40 DDAB COC(=O)C1(CNC(=O)c2ncccc2Br)CC1 193953101 YGWFFSVQHZVXQH-UHFFFAOYSA-N 313.151 1.527 0 40 DDAB CCN(C)[C@@H]1COC2(CCN(C(=O)c3cscn3)CC2)C1 96220799 LIKMQIGFVGBUHG-LBPRGKRZSA-N 309.435 1.859 0 40 DDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1 514289288 PEJSWIMHGQDEDS-KCQAQPDRSA-N 324.446 1.338 0 40 DDAB biogenic,in-vitro COc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)cc1 96199317 VLOFZYLNHKEXAT-AWEZNQCLSA-N 302.378 1.531 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96161672 KFTOBEQUZPQIGD-TXEJJXNPSA-N 315.402 1.137 0 40 DDAB NS(=O)(=O)NCCCc1ccc(Br)cc1F 96407716 ARPNGKWYAZYKMP-UHFFFAOYSA-N 311.176 1.314 0 40 DDAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccn(C)c(=O)c1 96487239 YUNWXZSILBTCBL-JTQLQIEISA-N 304.371 1.838 0 40 DDAB CN(Cc1cnn(C)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 96424132 XNHSDBUDILDYRT-OAHLLOKOSA-N 300.362 1.877 0 40 DDAB NC(=O)c1cc2n(n1)CCN(C(=O)OCc1ccccc1)C2 91690087 ZHIFHVFXROCXNO-UHFFFAOYSA-N 300.318 1.134 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)n1 96058203 KPTRBWIXVISRBS-CYZMBNFOSA-N 315.333 1.160 0 40 DDAB O=C(CC(F)(F)F)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161511 VVGQDNWNRFZKLV-BETUJISGSA-N 313.323 1.924 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)CCN2CCOCC2)c(C)c1 96426492 VKRBIIGZLUYMNK-AWEZNQCLSA-N 306.406 1.844 0 40 DDAB Cc1cc(NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)c[nH]c1=O 96495213 LEXUITYODNJDGP-UHFFFAOYSA-N 301.346 1.822 0 40 DDAB COc1c(Br)c(C(=O)NCc2ccco2)nn1C 96181030 LGSHNYSDKWNLBL-UHFFFAOYSA-N 314.139 1.714 0 40 DDAB CCCN(CC(F)F)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 96427855 WHQQKZNDKHWFHS-UWVGGRQHSA-N 300.371 1.318 0 40 DDAB Cc1ccc(C(=O)N2CCN3[C@H](CN(C)CC3(C)C)C2)cc1 253406932 VGXMFIVUSIYDTF-MRXNPFEDSA-N 301.434 1.845 0 40 DDAB biogenic,in-vitro COc1ccccc1[C@@H]1CN(C(=O)c2ccnn2C)CCN1C 257338751 YYVJMYYARZDIFF-HNNXBMFYSA-N 314.389 1.558 0 40 DDAB O=C(CN1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1)N1CCCC1 257305535 SQMFDKXWYZWOGT-HYVNUMGLSA-N 315.417 1.793 0 40 DDAB CCC(=O)N1CCC[C@@H](c2cn3nccc3c(N(C)C)n2)C1 257277172 NWSXIQHTIZIRTP-GFCCVEGCSA-N 301.394 1.911 0 40 DDAB CN1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H](C(N)=O)C1 257330207 XNJRCGOFVHSKIX-GFCCVEGCSA-N 315.339 1.554 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(CC2(O)CCOCC2)C1 257330238 XNMWBXMZRBEVRR-AWEZNQCLSA-N 320.437 1.314 0 40 DDAB O=C(CCCn1ccnc1)N1CCC2(CC1)OCCC[C@H]2O 257296754 REGKPXCEKDJVFW-CQSZACIVSA-N 307.394 1.196 0 40 DDAB O=C(c1ccccc1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1 257315506 VBSFRIGWHCBPBU-MRXNPFEDSA-N 309.369 1.950 0 40 DDAB c1ccc(OC[C@H]2CCOC23CN(CC2CCOCC2)C3)nc1 253477893 IAWAWKVPHZCOGN-MRXNPFEDSA-N 318.417 1.978 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 575404810 PNJBDDRDAOJIGL-UKRRQHHQSA-N 303.358 1.397 0 40 DDAB COCc1csc(CNc2nnc(-c3nccn3C)o2)c1 585091690 UCGUOXDKXYZNKY-UHFFFAOYSA-N 305.363 2.290 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 53139534 FVWFCWQFEIBPTD-CQSZACIVSA-N 313.394 1.794 0 40 DDAB Cc1noc(C)c1NC(=O)CCn1nnc2ccccc2c1=O 58203163 GJUDKHNITLVEOK-UHFFFAOYSA-N 313.317 1.425 0 40 DDAB CCc1noc([C@@H](C)N2CCN(Cc3cc(C)on3)CC2)n1 69619868 BRONYTQVKWTJPP-GFCCVEGCSA-N 305.382 1.807 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)n1 72388627 ODCLVBLHMGNVDB-CYBMUJFWSA-N 314.393 1.860 0 40 DDAB CN(CCCS(C)(=O)=O)[C@H]1CCCN(c2ccccc2)C1=O 96406647 FOLDCLPNFQDMSC-HNNXBMFYSA-N 324.446 1.549 0 40 DDAB C=CC(=O)O[C@@H](C)CO[C@@H](C)COC[C@@H](C)OC(=O)C=C 100355840 ZDQNWDNMNKSMHI-XQQFMLRXSA-N 300.351 1.644 0 40 DDAB CCO[C@@H]1COC[C@H]1n1cc(C(=O)Nc2cc(C)ns2)nn1 1548452890 YYVGYGYVCUPHAL-GHMZBOCLSA-N 323.378 1.272 0 40 DDAB O=C1CC[C@@H](c2nc(C3CCN(C(=O)C4CC4)CC3)no2)N1 12219354 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CCOc1ccc(CNC(=O)CCn2cncn2)cc1OC 36390771 GMCVCAIFUJLUCQ-UHFFFAOYSA-N 304.350 1.392 0 40 DDAB CS(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1 238837362 HAQMMOKPDGJKJR-NSHDSACASA-N 303.430 1.595 0 40 DDAB O=C1CN(C(=O)CCc2ccc(Cl)cc2Cl)CCN1 30576848 JSGLVVIMFCGSSM-UHFFFAOYSA-N 301.173 1.884 0 40 DDAB S=C(NC[C@H]1CCCO1)NNC(=S)NC1CCCCC1 4619968 OMIAZXKYSOMCCV-LLVKDONJSA-N 316.496 1.341 0 40 DDAB CCOc1ncc(NS(=O)(=O)c2ccccc2)c(N(C)C)n1 206730568 KZVFDIAKWIFEOV-UHFFFAOYSA-N 322.390 1.742 0 40 DDAB CC(=O)NCCCNC(=O)c1ccc(-n2nc(C)cc2C)nc1 30899122 TYXFSPQIYIXZJF-UHFFFAOYSA-N 315.377 1.140 0 40 DDAB CC(C)OCCCNC(=O)NC[C@H]1COc2ccccc2O1 40498131 QBFVFFAKALPERR-ZDUSSCGKSA-N 308.378 1.941 0 40 DDAB CC(C)CCNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F 40488160 QQRIRNSUGBFPQT-LBPRGKRZSA-N 307.316 1.722 0 40 DDAB N=c1c2cnn(-c3ccccc3)c2[nH]c(=O)n1-c1ccccc1 100854553 LVMPAQHBEIOTLZ-UHFFFAOYSA-N 303.325 1.984 0 40 DDAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CC(O)C1 89874933 JLUZZKRENYUBQR-UHFFFAOYSA-N 301.346 1.247 0 40 DDAB 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CC(C)CCN(CCC(C)C)C(=O)CNC(=O)Cn1cncn1 58794259 JGXKEKCLNXDCGW-UHFFFAOYSA-N 323.441 1.315 0 40 DDAB NC(=O)[C@@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1 45340671 UHBZRSOJAMFQCT-INIZCTEOSA-N 316.332 1.937 0 40 DDAB CN(C)C1(CNC(=O)c2cccc3c2OCCO3)CCOCC1 69743159 OMHBVYNYAAFABQ-UHFFFAOYSA-N 320.389 1.298 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1c(F)cccc1Cl 3382783 YAUUMHMDNZTTHZ-UHFFFAOYSA-N 316.716 1.872 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)C[C@@H]1C=CCC1 12896060 FRANPPSNEFOMOV-CYBMUJFWSA-N 322.430 1.708 0 40 DDAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)N1CCCCCC1 70039339 DKBARJIJHAHYQK-CQSZACIVSA-N 312.435 1.995 0 40 DDAB Cc1cc(S(=O)(=O)NCCCn2ccccc2=O)ccc1F 69704291 QHCXFWSKOMHGDA-UHFFFAOYSA-N 324.377 1.664 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)on1 12990161 CHBCBKZCKGTLSN-UHFFFAOYSA-N 318.352 1.883 0 40 DDAB CCc1nnc(CN2CCC(N3CCN(CC)C3=O)CC2)o1 69490131 DOPUAWCUYYKOQQ-UHFFFAOYSA-N 307.398 1.354 0 40 DDAB C[C@H](CC(=O)NCCN1CCN(C)CC1)c1ccccc1F 69595357 CZOZHXXMGOVKMG-CQSZACIVSA-N 307.413 1.683 0 40 DDAB CN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCO4)c2C1 65478924 HERQWYXFHPQTBA-UHFFFAOYSA-N 312.373 1.830 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 69917775 SRAXQDBISMLUPD-HNNXBMFYSA-N 306.406 1.371 0 40 DDAB O=C1Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2C1=O 6950449 CXDJMQUAOPFUPQ-UHFFFAOYSA-N 316.338 1.300 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 9366432 MKAXFXKSKVRDKB-KPWCQOOUSA-N 304.390 1.727 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCO2)c1 9513878 DSKWIJQDBXDQRD-LLVKDONJSA-N 303.767 1.861 0 40 DDAB Nc1cc(=O)[nH]c(SCc2nnc(-c3cccs3)o2)n1 9516745 SJUOSBFGPVQCRD-UHFFFAOYSA-N 307.360 1.756 0 40 DDAB C[C@H]1SCCN(CCNS(C)(=O)=O)[C@@H]1c1ccccc1 71911162 CZVLJMVEXJJIJU-OCCSQVGLSA-N 314.476 1.714 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 72279061 ZMPDUAFGAVGGQT-FZMZJTMJSA-N 315.421 1.777 0 40 DDAB CCOC(=O)CC1(N(C)C(=O)CNC(=O)OC)CCCCC1 72295395 JGUGZHJJMGPKPM-UHFFFAOYSA-N 314.382 1.457 0 40 DDAB COC(=O)C[C@H](c1cn(C)nc1C)c1c(O)cc(C)[nH]c1=O 72404893 VUIPACRHPHEMSM-SNVBAGLBSA-N 305.334 1.126 0 40 DDAB COCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C 76955552 IAKFYIXDBLFXPV-HUUCEWRRSA-N 304.390 1.320 0 40 DDAB O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccoc1)N1CCCC1 72534312 FAJUSQJQDNNOSK-AWEZNQCLSA-N 306.362 1.523 0 40 DDAB CC(C)N1C(=O)CN(CC(=O)N(C)CC(F)(F)F)CC1(C)C 72795385 KPVSPTOUYQIRKW-UHFFFAOYSA-N 323.359 1.338 0 40 DDAB CC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 95413853 VZNLTSUEMHUGBK-CHWSQXEVSA-N 305.334 1.044 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H]1N(C)C 78894877 GEUWDELPQNAHEA-ZWNOBZJWSA-N 319.430 1.753 0 40 DDAB Cc1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)no1 95997990 WBDSEETWQQRPCD-UHFFFAOYSA-N 309.329 1.939 0 40 DDAB C[C@@H](O)CN(C(=O)N[C@H](C)c1nncn1C)C1CCCCC1 95942728 QQXXCGXFBNNPKC-VXGBXAGGSA-N 309.414 1.601 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O 74674702 DJECZHJNJVCSDD-LKTVYLICSA-N 308.426 1.571 0 40 DDAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCCCO 75093226 NLCAAEQBYRZQMQ-UHFFFAOYSA-N 301.412 1.163 0 40 DDAB COC(=O)[C@H](NCCn1cc(Br)cn1)C(C)(C)C 89621450 DQEBDBPLJWIRSD-JTQLQIEISA-N 318.215 1.823 0 40 DDAB O=C(CCN1CCN(c2ccccn2)CC1)NC1CCCC1 60460739 WWAOHDKITIMCDK-UHFFFAOYSA-N 302.422 1.653 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409378727 QWFZPBWHBXQMLP-XJIUQZFPSA-N 317.341 1.356 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1C 72239079 OYJZMRUHWGHVSR-UHFFFAOYSA-N 322.390 1.420 0 40 DDAB Cc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C(=O)O)c(C)c1 538742063 MBZOQNPSIOFEEB-UHFFFAOYSA-N 323.374 1.844 0 40 DDAB Cc1cc(CCC(=O)NCC(=O)O)cc([C@H]2CCCN2C)n1 72366949 XJMIRNBTKFBBGF-CQSZACIVSA-N 305.378 1.290 0 40 DDAB O=C(NC[C@@]1(O)CCCNCC1)c1cc(-c2ccccc2)on1 72151216 RXRZRRVQONFZDP-QGZVFWFLSA-N 315.373 1.576 0 40 DDAB O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCCS1(=O)=O 76823427 FEBYJHGYGMBXFX-GXSJLCMTSA-N 301.314 1.630 0 40 DDAB O=C(c1cnccn1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 49171056 IPWHHFXGOKOKGN-LBPRGKRZSA-N 322.328 1.551 0 40 DDAB biogenic,in-vitro O=C(CN(Cc1ccccn1)C[C@H]1CCCO1)N1CCCC1 76048006 RYRBBVVLNQPNIY-MRXNPFEDSA-N 303.406 1.685 0 40 DDAB CC(C)N1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 45522275 WAIYKMDNZIHPFS-CQSZACIVSA-N 301.390 1.665 0 40 DDAB Cc1ccc(OCCNC(=O)[C@H](CC(C)C)NC(N)=O)cc1 48331821 VJWXLSBSHPEQGL-AWEZNQCLSA-N 307.394 1.573 0 40 DDAB S=C(NC[C@@H]1CCCO1)Nc1cnc(Br)cn1 223897876 LUKNNOLBRVIVGG-ZETCQYMHSA-N 317.212 1.705 0 40 DDAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H](c1ccccc1)N1CCOCC1 195558575 IZUWTGSWCQNINA-DKKFBQAASA-N 316.445 1.975 0 40 DDAB Cn1nc(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c2ccccc21 570930995 AIYASJQRJDEDEA-NVBFEUDRSA-N 313.357 1.580 0 40 DDAB Cn1nc(CNC(=O)/C=C/c2ccco2)c2ccccc2c1=O 75148867 LKZNQONWIVFYLI-CMDGGOBGSA-N 309.325 1.856 0 40 DDAB CCN1CCN(C(=O)COc2ccn(-c3ccccc3)n2)CC1 226853513 HGSZFSDAOUDKDN-UHFFFAOYSA-N 314.389 1.415 0 40 DDAB COc1cccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)c1 223445344 UZGXIGWVAFXNJF-UHFFFAOYSA-N 304.302 1.375 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3cccs3)C2)C1 96062293 WQAGMWFJZNXHND-INIZCTEOSA-N 310.463 1.919 0 40 DDAB c1cnc(N2CCC[C@]3(CN(Cc4ccoc4)CCO3)C2)cn1 96049136 IFJAJLDIICLCSO-KRWDZBQOSA-N 314.389 1.941 0 40 DDAB Cc1cc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)no1 97953387 IISMYESZCKSFQE-ARFHVFGLSA-N 319.405 1.346 0 40 DDAB CC[C@H](NC(=O)N[C@@H](C)CN1CCCC1=O)c1ccncc1 96440507 NHOMQPRFCNPUJI-JSGCOSHPSA-N 304.394 1.843 0 40 DDAB CN(C)C(=O)c1nn(C)c2c1CN(Cc1ccc(F)cc1)C2 96187532 YYBZORAQOMDCKY-UHFFFAOYSA-N 302.353 1.777 0 40 DDAB CCc1cnc(N2CCN(Cc3cc(=O)c(O)co3)CC2)s1 96441510 LBKVUFHAMDFBCB-UHFFFAOYSA-N 321.402 1.687 0 40 DDAB Cc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)o1 96056273 MNGGGSTZKXELKH-BHYGNILZSA-N 318.417 1.951 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccnc1 247945725 BABJFZUNUDAGBC-KSZLIROESA-N 319.449 1.639 0 40 DDAB COc1ccccc1N1CC[C@H](N(C)[C@H](C)C[S@@](C)=O)C1=O 248782888 VUOMMTJAUJHUMW-UZRORNOBSA-N 324.446 1.499 0 40 DDAB Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257295845 RADRCXFQRGJLBC-AWEZNQCLSA-N 304.375 1.706 0 40 DDAB CN1CCN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1 257208718 BNJLYWUBUVUXNZ-KRWDZBQOSA-N 317.433 1.224 0 40 DDAB O=C(O)COc1ccc(CN2CC[C@H](c3ccn[nH]3)C2)cc1 257254447 KDCIQPJUJKCXTF-ZDUSSCGKSA-N 301.346 1.863 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)n1 257307991 TUZUSTSTPIDTLJ-OAHLLOKOSA-N 315.421 1.719 0 40 DDAB C[C@@]1(C(=O)NCCCN2CCCCCC2=O)C[C@H]2CC[C@H]1O2 252586890 UHELXZRLDKQGQZ-CKEIUWERSA-N 308.422 1.853 0 40 DDAB Cc1noc([C@H]2CN(S(C)(=O)=O)C[C@@H]2c2ccccc2)n1 253472057 INAAWLYMFTUESR-OLZOCXBDSA-N 307.375 1.521 0 40 DDAB O=C(COc1ccc(F)cc1F)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257314823 UYQGGTFNHCVEBC-LALPHHSUSA-N 315.316 1.124 0 40 DDAB Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ncnc(N)c2Cl)C1 253430653 FOUVTNJDCZTNHF-MWLCHTKSSA-N 322.800 1.396 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2c2ccnc(C)n2)n1 257233848 GQZKPSXLUBJNFN-OAHLLOKOSA-N 312.377 1.553 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3NCCS[C@H]3C2)cc1 299803685 RDBZGGDYXYAFFO-KBPBESRZSA-N 312.460 1.463 0 40 DDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cnc2ccccc2n1 575617141 PROUWHRSUKTZHZ-HNNXBMFYSA-N 310.361 1.676 0 40 DDAB CCCN1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 585101544 FDADAFNVQLNLSE-OAHLLOKOSA-N 314.401 1.218 0 40 DDAB Cn1cnc2c1[C@H](C(=O)NC1CC1)CN(Cc1cccs1)C2 585110926 ZUPRZRROAAQNJD-CYBMUJFWSA-N 316.430 1.860 0 40 DDAB COCCOc1cccc(C(=O)N2CCC[C@@](CO)(OC)C2)c1 585142555 YCQWDSUSHYDLMU-QGZVFWFLSA-N 323.389 1.325 0 40 DDAB C[C@H](C(N)=O)S(=O)(=O)Cc1csc(C2CCCCC2)n1 46189661 ISYKJVYVVNFITC-SECBINFHSA-N 316.448 1.979 0 40 DDAB CCCc1noc([C@@H](C)N2CCN(c3ncccn3)CC2)n1 44583967 GLKCBUDRUXNEJN-GFCCVEGCSA-N 302.382 1.695 0 40 DDAB COCCN(CCOCCOc1ccccc1)CC(=O)N(C)C 51922452 WQVBBGUGXVUGSM-UHFFFAOYSA-N 324.421 1.119 0 40 DDAB O=C(CN1CCC[C@H]1c1nnc2ccccn12)N1CCCCC1 52686127 CCBDMUHZRWGMPX-AWEZNQCLSA-N 313.405 1.879 0 40 DDAB NC(=O)CN(CC(=O)NCc1cccc(Cl)c1)C1CCCC1 52826273 XIRUMAVFKLZUEO-UHFFFAOYSA-N 323.824 1.686 0 40 DDAB CCOC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 58874935 JWULDLYJBXSNLH-UHFFFAOYSA-N 317.389 1.350 0 40 DDAB NC(=O)c1ccc(-c2nnn(CC3(O)CCCCC3)n2)cc1 58247618 QLWVCYKBGWCSEH-UHFFFAOYSA-N 301.350 1.134 0 40 DDAB NC(=O)c1cccc(CN2CCN(Cc3cscn3)CC2)c1 58378431 YQUZVAHUHVPXJE-UHFFFAOYSA-N 316.430 1.560 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 75606869 MUTAKIOSIAOFAL-GWCFXTLKSA-N 323.368 1.815 0 40 DDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1csnn1 97378972 GIJHSXIROIXZRS-AAEUAGOBSA-N 302.403 1.788 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 5368546 FMMCKONUOQGALJ-SEBNEYGDSA-N 313.353 1.713 0 40 DDAB CC[C@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 5795847 XOPGOFZASNHUKM-VIFPVBQESA-N 309.370 1.808 0 40 DDAB CN(CCc1ccccn1)[C@H]1CC(=O)N(c2ccccc2)C1=O 19855256 YTCDIDHTIJERMC-INIZCTEOSA-N 309.369 1.888 0 40 DDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccco3)ccc21 19936737 DQFFXFPRKJLFEF-UHFFFAOYSA-N 322.342 1.686 0 40 DDAB Cc1cc(N(C)C)nc(CNC(=O)[C@@H](C)Oc2ccccc2)n1 206722719 WNGXCENNWDBILI-CYBMUJFWSA-N 314.389 1.935 0 40 DDAB O=C(C[C@H](NCCc1ccccc1)C(=O)O)Nc1cccnc1 5258813 WACZZAXAZXWNJV-HNNXBMFYSA-N 313.357 1.696 0 40 DDAB CCc1nc(CN2CCN(C(=O)c3ccc(Cl)o3)CC2)no1 78777106 OKFABNZYOSEGKH-UHFFFAOYSA-N 324.768 1.836 0 40 DDAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)[C@@H]1CCCO1 11769084 JQXBITDPNOSNFH-JTQLQIEISA-N 307.375 1.799 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@]1(O)CCCc2sccc21 1889091596 LARRNJUQODVLKX-OAHLLOKOSA-N 321.402 1.444 0 40 DDAB O=S(=O)(N[C@H]1CCCN(C[C@H]2CCCCO2)C1)C1CC1 1889116308 YUJFKMKCGGNBCK-QWHCGFSZSA-N 302.440 1.102 0 40 DDAB COc1ccc(CNC(=O)c2cc3cccnc3n(C)c2=O)cc1 5303544 AITXEEBHTYGPGK-UHFFFAOYSA-N 323.352 1.872 0 40 DDAB Cn1nnc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21 13531235 OTRILABVUHZVIS-UHFFFAOYSA-N 309.251 1.592 0 40 DDAB CCN(CC)[C@@H]1CC(=O)N(c2ccc(CC(=O)OC)cc2)C1=O 22133860 LZMZMUIFKLCTPC-CQSZACIVSA-N 318.373 1.376 0 40 DDAB O=C(NCCCn1ncccc1=O)c1ccc2nsnc2c1 38488193 GWELCQSGQUIJEM-UHFFFAOYSA-N 315.358 1.068 0 40 DDAB Cn1cc(-c2cncc(CNC(=O)c3cncc(F)c3)c2)cn1 575414355 HCMNPLKZJRGZKS-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)N2CCN(c3ccccc3)CC2)n1 20614446 ZKTSBKTUXOQCSJ-UHFFFAOYSA-N 314.345 1.081 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1cccn1 30554879 QBQVYPJVRDJMBY-ZDUSSCGKSA-N 302.353 1.932 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc1Cl 40386587 YHPQBGXLHUSDFB-VIFPVBQESA-N 319.752 1.837 0 40 DDAB O=C(CCc1cccnc1)Nc1ccc(N2CCOCC2)cn1 40490413 HFQIGXAKHOUFCX-UHFFFAOYSA-N 312.373 1.885 0 40 DDAB O=C1CCCN1C(=O)Cn1cnc2cc(Cl)ccc2c1=O 31786526 NUUXEBXYHWPCLW-UHFFFAOYSA-N 305.721 1.199 0 40 DDAB CCc1nnsc1C(=O)N1CCC(NC(=O)C2CC2)CC1 40516550 IBSZAXDKCBWBNL-UHFFFAOYSA-N 308.407 1.231 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 40521643 KZDQRHZBCFNKKJ-DGCLKSJQSA-N 308.765 1.428 0 40 DDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccsc1 40505255 YVLIQBUOYJUUOY-TZMCWYRMSA-N 310.419 1.215 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40553816 MEYBMCHMJHWSAO-GJZGRUSLSA-N 323.414 1.874 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)NCCc1cn2ccccc2n1 40523640 FRTXAGZDMJXWRE-JTQLQIEISA-N 315.295 1.960 0 40 DDAB Cn1c(=O)c2c(ncn2Cc2cccc3ccccc23)n(C)c1=O 93667 TUKFRDHQZYOXFC-UHFFFAOYSA-N 320.352 1.635 0 40 DDAB biogenic COC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)cc1OC 8184140 GVZNKGHCHVKGDE-JTQLQIEISA-N 304.302 1.599 0 40 DDAB COC(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 555260 PFKXAOVDDDSKQA-UHFFFAOYSA-N 302.330 1.287 0 40 DDAB Cc1nc(NC(=O)CSc2nnnn2C2CC2)sc1C 11760237 WGABEUYRYNPMNU-UHFFFAOYSA-N 310.408 1.812 0 40 DDAB COC(=O)c1cc(=O)n(-c2ccccc2OC)c(SC)n1 1560595 FPYGNBRHNXOHJY-UHFFFAOYSA-N 306.343 1.750 0 40 DDAB COC(=O)[C@](NNc1ccccc1C)(NC(C)=O)C(F)(F)F 2050531 COPBSAATJQNBBG-GFCCVEGCSA-N 319.283 1.479 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccc(Cl)cc1-n1cnnn1 20744969 CMPOQKQWGAHLHA-SNVBAGLBSA-N 307.741 1.225 0 40 DDAB C[C@@H]1C(=O)N(C[C@H](O)CN(C)Cc2ccccc2)C(=O)[C@H]1C 83976484 ZQHQIPQMWWWELZ-KCQAQPDRSA-N 304.390 1.120 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 21194377 LSPVFGCOYLIVMX-UHFFFAOYSA-N 304.331 1.684 0 40 DDAB CCOC(=O)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 6332458 ODIYRIJZPRHYRT-XQQFMLRXSA-N 311.451 1.824 0 40 DDAB CCN(CC)C(=O)C(=O)N1CCN(c2ccccc2OC)CC1 6629782 KZBXVKIHPCJUBJ-UHFFFAOYSA-N 319.405 1.212 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 57355458 XDXFMVFAWRPMTE-NVXWUHKLSA-N 317.433 1.664 0 40 DDAB Cc1n[nH]c(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n1 21586570 BXMXBPBWDQCALF-SSDOTTSWSA-N 318.358 1.808 0 40 DDAB CC1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 37117548 CDFBYQLXOXEORM-UHFFFAOYSA-N 307.375 1.823 0 40 DDAB COC[C@@H](C)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 8774585 FGFNAXWTKPXVIG-SECBINFHSA-N 318.295 1.586 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 103512839 VKKJUZODTIMMGO-GVAFMPQTSA-N 312.369 1.965 0 40 DDAB Cn1cc(I)c(C(=O)NC2CCCC2)n1 483092 XBTAIFSSMOXOSF-UHFFFAOYSA-N 319.146 1.697 0 40 DDAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[C@H](C(N)=O)C1 52961022 VOHWJMNVCABTHU-RYUDHWBXSA-N 308.382 1.288 0 40 DDAB Cn1ccnc1[C@H](NC(=O)c1cnccn1)c1ccccc1F 41565903 ATPGKTAFTRFXLC-CQSZACIVSA-N 311.320 1.869 0 40 DDAB CN1CC[C@@H](C(=O)NC[C@H](C2CCCCC2)N(C)C)CC1=O 46948967 FFGLCBOXOIWTGN-HUUCEWRRSA-N 309.454 1.482 0 40 DDAB NC(=O)C1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 42200569 BLXLLQCSZHXZCQ-UHFFFAOYSA-N 316.405 1.409 0 40 DDAB O=S(=O)(CCc1ccccc1)NC1CCN(C2CC2)CC1 47497055 VXLOFIWVMSDWJW-UHFFFAOYSA-N 308.447 1.775 0 40 DDAB NC(=O)Nc1cccc(C(=O)NCc2nnc3ccccn23)c1 24333196 KTBMRZPXXLEVDS-UHFFFAOYSA-N 310.317 1.150 0 40 DDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@@H](C)O[C@H](C)C1 24600889 USUAHKWMNYETHB-UTUOFQBUSA-N 305.378 1.222 0 40 DDAB COc1ccc(-c2nc(N(C)C)ncc2S(C)(=O)=O)cc1 1402971 MEZYVIRVBKYLMY-UHFFFAOYSA-N 307.375 1.622 0 40 DDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1 1441647 XWNFTKAMJNKIGK-CQSZACIVSA-N 317.370 1.717 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@@H]1OCCc2ccccc21 43511131 ATTKFHVKHXEYHH-DOMZBBRYSA-N 307.371 1.377 0 40 DDAB Cc1ccccc1CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 107060075 IKCOIKLOJXAUEJ-UONOGXRCSA-N 312.435 1.781 0 40 DDAB CN(CC[C@@H]1CCCN1C)C[C@@H](O)COCc1ccccc1 107365912 UPNUVZDCVWTFNC-ZWKOTPCHSA-N 306.450 1.980 0 40 DDAB O=C1[C@@H](N(Cc2cccnc2)C[C@@H]2CCCO2)CCN1C1CC1 107530449 DUDQCOXSBJDIMU-IRXDYDNUSA-N 315.417 1.826 0 40 DDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCC(c2ccn[nH]2)CC1 106178796 IFXSRLUHLVXPNG-MCIONIFRSA-N 320.437 1.613 0 40 DDAB COc1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1F 44175365 KMNTXSYKKQQPAU-AWEZNQCLSA-N 310.350 1.762 0 40 DDAB CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCN(C)C(=O)C1 44390119 OPBKZYZIBCEKFP-INIZCTEOSA-N 317.433 1.445 0 40 DDAB Cc1cc([C@@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)no1 26927606 UUCWMZYTIFARGP-LBPRGKRZSA-N 306.366 1.450 0 40 DDAB CCOc1ccc(Nc2nn3c(=O)c(C)nnc3s2)cc1 27526361 JGPDFGNIABZPOC-UHFFFAOYSA-N 303.347 1.997 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCN([C@H]3CCOC3=O)CC2)c1 27451023 IRVGDEWQMOLDEP-HNNXBMFYSA-N 302.374 1.377 0 40 DDAB Cc1ccc(-n2cc(C(=O)NC[C@@H](C)Cn3cccn3)nn2)cc1 58280229 SQJKQFMHCPMZOG-CQSZACIVSA-N 324.388 1.838 0 40 DDAB O=C(O)c1ccccc1-n1ccc2c(cnc3ncnn32)c1=O 36125554 KHWLAIRDFRMQBF-UHFFFAOYSA-N 307.269 1.127 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 44950202 ARFYJGXTMJELGK-VXGBXAGGSA-N 316.365 1.612 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)[C@@H]1CCCO1 27879886 MJERMEHNTBUQEC-FZMZJTMJSA-N 300.362 1.873 0 40 DDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 58309005 ZZEZTCFPYPWGGG-MRXNPFEDSA-N 315.304 1.804 0 40 DDAB COc1cccc(NC(=O)CNc2ccc(-n3cnnn3)cc2)c1 58393577 KVJNPSWPWNDXOC-UHFFFAOYSA-N 324.344 1.722 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccnc(-n2cncn2)c1 58327927 AZUPNFGACZHFDX-ZDUSSCGKSA-N 323.360 1.203 0 40 DDAB O=C(NC1CCCC1)c1ccc(Oc2ccc3nnnn3n2)cc1 58356676 TWGXGMZPDOBWCD-UHFFFAOYSA-N 324.344 1.984 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 62132432 JVIUQSPZVIUJHT-LURJTMIESA-N 309.265 1.199 0 40 DDAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cccn1 48273193 ODEFWYXXKZBUMM-CQSZACIVSA-N 315.373 1.962 0 40 DDAB CNC(=O)CCCS(=O)(=O)c1nnc(C(C)C)n1C1CC1 48368133 LMYKKRCKVCWNOH-UHFFFAOYSA-N 314.411 1.036 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccccc1 3505528 OVUQKWDRLGFWFM-UHFFFAOYSA-N 315.373 1.558 0 40 DDAB O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 13015854 RSVXTZSALYCZTN-ZIAGYGMSSA-N 307.415 1.657 0 40 DDAB NC(=O)NCCCC(=O)OCCOc1ccc(Cl)cc1 8345937 MEUMRIQARVAEFP-UHFFFAOYSA-N 300.742 1.711 0 40 DDAB C[C@@H](c1ccc(F)cc1)N1CCC(NS(C)(=O)=O)CC1 69420224 UKUBOVMJNNWIIF-NSHDSACASA-N 300.399 1.900 0 40 DDAB CCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408594437 RWHVPNVRBCORJB-LLVKDONJSA-N 314.407 1.277 0 40 DDAB Cc1cccn2cc(Cn3c(-c4ncccn4)noc3=O)nc12 69461006 PJOGFNOXPRPFQV-UHFFFAOYSA-N 308.301 1.298 0 40 DDAB COc1cc2c(cc1CN[C@H]1CCc3ncnn3C1)O[C@H](C)C2 69488869 VCGCNMHYKBRWPC-RISCZKNCSA-N 314.389 1.715 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)c1 69486298 BBAFGRGJSNXBNH-ZFWWWQNUSA-N 316.405 1.366 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2ccnn2C(C)C)CC1 69776755 YGRSPMMFZJBJBQ-UHFFFAOYSA-N 323.441 1.057 0 40 DDAB COCCn1cc(NC(=O)NC[C@H](O)c2ccccc2F)cn1 65412401 BBCDGKGKWNQTDP-AWEZNQCLSA-N 322.340 1.524 0 40 DDAB COCCCNC(=O)COc1cc(C)cc2oc(=O)cc(C)c12 5302938 GFKWOMJWSTZFIT-UHFFFAOYSA-N 319.357 1.941 0 40 DDAB CS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1 5362089 SGDGSDPRWPCTHO-UHFFFAOYSA-N 318.402 1.683 0 40 DDAB O=C(CN1CCC[C@H](CN2CCCCCC2)C1)N1CCOCC1 69743784 IWABRECRABNZDW-QGZVFWFLSA-N 323.481 1.433 0 40 DDAB COc1ccnc(N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)n1 65614899 JHPXXAJTCJMZMJ-ZDUSSCGKSA-N 320.393 1.093 0 40 DDAB O=C1NC(=O)[C@@H](CCC(=O)N(Cc2ccc(F)cc2)C2CC2)N1 65609783 DDKCTKXVLHVLII-CYBMUJFWSA-N 319.336 1.305 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2nccs2)CC1 65609734 QDWDJFMKGVGBKG-NSHDSACASA-N 318.406 1.082 0 40 DDAB COC(=O)N1CCC(NC(=O)c2cc(C(C)(C)C)nn2C)CC1 66325845 ZQZSEFZBKYBVCO-UHFFFAOYSA-N 322.409 1.678 0 40 DDAB O=C(NCCNc1ncnc2[nH]cnc12)c1ccc(F)cc1F 69814502 YJMBUMWGPOUMCV-UHFFFAOYSA-N 318.287 1.473 0 40 DDAB CC[C@H](C)[C@H](NC(=O)COC(=O)c1cccc(O)c1)C(=O)OC 7101434 DJTULOINOYHLCN-HZMBPMFUSA-N 323.345 1.253 0 40 DDAB O=C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 18271566 NCKAZENXCFXTMR-CYBMUJFWSA-N 306.749 1.637 0 40 DDAB O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc2[nH]nnc2c1 68534262 AMOSRFZZOPMKTO-CQSZACIVSA-N 321.340 1.493 0 40 DDAB COC(=O)c1ccc(NC(=O)CCN2CCN(C)CC2)cc1 19881282 FWWSEYQZIBECNF-UHFFFAOYSA-N 305.378 1.049 0 40 DDAB OCCN(CCO)Cc1ccc(Br)cc1Cl 96441414 NSMLFXRQOXQTGL-UHFFFAOYSA-N 308.603 1.889 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCOC1 71897697 RMVJLARTZANTLF-WBVHZDCISA-N 317.433 1.939 0 40 DDAB c1ccc(-c2ncc(CN[C@H]3CCc4ncnn4C3)cn2)cc1 71871754 YKPBIGDSCGCQQZ-HNNXBMFYSA-N 306.373 1.840 0 40 DDAB Cn1cc([C@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccsc2)cn1 71857703 NGEXPHIULZDTMM-YPMHNXCESA-N 305.359 1.656 0 40 DDAB CN(C)c1ncc(CNS(=O)(=O)CCc2ccccc2)n1C 71914937 MRHGJCMLSHVCTK-UHFFFAOYSA-N 322.434 1.148 0 40 DDAB CN1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)C1=O 172405046 JZKINVQTEPTNNZ-KGLIPLIRSA-N 321.352 1.139 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2ccc(Br)cn2)C1 72343677 CDWXTHJSAUZRPL-VIFPVBQESA-N 319.224 1.983 0 40 DDAB in-vitro O=C(c1cc(Cl)cc2cccnc12)N1CCN(CCO)CC1 84493610 MFVTYKABBSBYHN-UHFFFAOYSA-N 319.792 1.638 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cn(-c2ccccc2)nn1 84576702 JKWUEOPJWNJADZ-SJORKVTESA-N 320.352 1.655 0 40 DDAB C[C@@H]1CCCN(CCNC(=O)c2cc3c([nH]c2=O)CCC3)C1 84697513 MFBXXDYTHOPTIV-GFCCVEGCSA-N 303.406 1.325 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)N3CCCN(C)CC3)CC2=O)cc1 95348859 DHPMUINCMMUCAC-OAHLLOKOSA-N 315.417 1.512 0 40 DDAB NC(=O)C1(CN[C@@H]2CSCCc3ccccc32)CCOCC1 95420239 UMSWPEFYCABWEL-OAHLLOKOSA-N 320.458 1.889 0 40 DDAB COc1ccc(C(=O)N2CCC(C)(O)CC2)c(OC)c1OC 79106982 LAMBKAYCNGPHQO-UHFFFAOYSA-N 309.362 1.699 0 40 DDAB CSC[C@@H](CCO)NC(=O)c1cc(Br)c[nH]1 95976872 PPCBUQNVRGWYCZ-MRVPVSSYSA-N 307.213 1.621 0 40 DDAB COc1ccc2c(c1)[C@@H](NCCN1C(=O)CNC1=O)CCCO2 95940754 HPGIUUIHVDNPCH-ZDUSSCGKSA-N 319.361 1.050 0 40 DDAB CCOC(=O)c1cnn([C@H]2CCCN(c3nccc(C)n3)C2)c1 95982759 VLWGEHNLSKCRIR-AWEZNQCLSA-N 315.377 2.000 0 40 DDAB Cc1c(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cnn1C 95991315 MIFGHYOEAYMRFR-ULKWEWGCSA-N 307.394 1.780 0 40 DDAB Cc1cc(C)c(NC(=O)CS(=O)(=O)c2nc[nH]n2)c(C)c1 86169906 COELLHPCGVBYPU-UHFFFAOYSA-N 308.363 1.142 0 40 DDAB COc1ccc2c(c1)C[C@@H](NCCN1CCCS1(=O)=O)CC2 89519898 WJCCEFACXGUXAT-HNNXBMFYSA-N 324.446 1.178 0 40 DDAB CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccncc2)c1 75128338 JGDGIQZUGJFPAY-UHFFFAOYSA-N 312.372 1.286 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccs2)C1 60376715 BLPAVCUQTFBMQI-LLVKDONJSA-N 322.411 1.601 0 40 DDAB Cc1nc(CNC(=O)N2CCC[C@@H](c3nncn3C)C2)cs1 89712462 WKNJPQAYHBBADV-LLVKDONJSA-N 320.422 1.669 0 40 DDAB Cc1nsc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 89721340 WUJPYLYMEVCTAM-LSDHHAIUSA-N 316.430 1.936 0 40 DDAB N=C1NC(=O)/C(=C\c2cc(Br)c(O)cc2O)S1 408718121 KPFRQIAFBQHAEN-KRXBUXKQSA-N 315.148 1.999 0 40 DDAB O=C(C1CC1)N1C[C@@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2C1 67897451 NDYBDPPOUUXBKH-CABCVRRESA-N 306.406 1.415 0 40 DDAB biogenic,in-vitro O=C(O)c1c(I)cnn1CC(F)(F)F 408715111 IIBCOLQVMLPIGV-UHFFFAOYSA-N 320.008 1.748 0 40 DDAB Cc1c(I)c(C(F)F)nn1CCO 408717601 JUKXVUZBMFQHKB-UHFFFAOYSA-N 302.062 1.726 0 40 DDAB NC(=O)CN1CCC([C@@H]2CCCCN2Cc2ccccn2)CC1 72367849 MQKPZEJESRFKKZ-KRWDZBQOSA-N 316.449 1.633 0 40 DDAB CCC(=O)c1ccc(OCc2ncc(C(=O)O)c(=O)[nH]2)cc1 217382611 ROPNDBJYRZNGJG-UHFFFAOYSA-N 302.286 1.640 0 40 DDAB CC(C)(C)SCCOC(=O)[C@@H]1CCCCN1S(C)(=O)=O 79037316 ZCQSJEBUEYIJAE-NSHDSACASA-N 323.480 1.875 0 40 DDAB O=C(O)CN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 37594626 BOQUBXNUYODISV-LLVKDONJSA-N 317.794 1.414 0 40 DDAB C[C@H]1CN(C(=O)[C@@H](C)n2cc(Br)cn2)C[C@@H](C)O1 32611335 UUEAHULKWYPPKJ-KXUCPTDWSA-N 316.199 1.842 0 40 DDAB COCc1cc(C(=O)NCCn2c(C)nc3ccccc32)no1 79322907 XPNHMZUSXMJUES-UHFFFAOYSA-N 314.345 1.909 0 40 DDAB Cc1nc(NS(=O)(=O)c2ccc(F)cc2)ncc1C(=O)O 217401680 BIODBYOQQISKDZ-UHFFFAOYSA-N 311.294 1.423 0 40 DDAB CCC(=O)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1 72341959 MHJAHRWOKVQHCZ-CYBMUJFWSA-N 301.350 1.003 0 40 DDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](Cc2cccnc2)C1 72386288 CBJMZBFAZGCCOS-ZDUSSCGKSA-N 306.391 1.448 0 40 DDAB C[S@@](=O)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 132384164 VHFNFHABKGWHFA-XFNZEKPQSA-N 319.390 1.152 0 40 DDAB C[C@H]1CN(Cc2ccc(-c3ccccn3)nc2)S(=O)(=O)C1 567661619 GNBWGIIOMDBEOV-LBPRGKRZSA-N 303.387 1.925 0 40 DDAB CO[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 571337329 PJIPEMHBMIYIIF-IUODEOHRSA-N 320.389 1.500 0 40 DDAB COc1ccc(OCc2cn(CC(=O)NC(C)C)nn2)cc1 227168048 SBVMYOSJAPGMGK-UHFFFAOYSA-N 304.350 1.390 0 40 DDAB CN([C@@H](C(=O)NC1CCCC1)c1ccccc1)S(C)(=O)=O 225876554 UDUHCANCSGAPMC-CQSZACIVSA-N 310.419 1.678 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccccc1C 96041418 SOZPPPVVGPLLMI-YSVLISHTSA-N 305.374 1.779 0 40 DDAB O=C(c1cccnc1)N1CCc2ncnc(N3CCCC3)c2CC1 96094544 QKLKIEMWQBTVBE-UHFFFAOYSA-N 323.400 1.713 0 40 DDAB CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 145489683 DOORLMZWXWAASK-UHFFFAOYSA-N 311.384 1.696 0 40 DDAB CCc1cc(NC(=O)CCn2c(C)csc2=O)nc(C)n1 96425620 LYYMZYHLQMGHQQ-UHFFFAOYSA-N 306.391 1.908 0 40 DDAB Nc1nccnc1C(=O)NCCc1nc(C(F)(F)F)cs1 96432827 JSABGPLGPMUZRJ-UHFFFAOYSA-N 317.296 1.507 0 40 DDAB COc1cccc(-n2ccnc2SCc2n[nH]c(=O)[nH]2)c1 91577334 CLCYEZPXJHMMNG-UHFFFAOYSA-N 303.347 1.585 0 40 DDAB Cn1cc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)cn1 96189090 YYUXDIPHXIAWGB-MRXNPFEDSA-N 315.421 1.675 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(Cc4ccoc4)C3)C2=O)cn1 96050512 FQVBMEAUUNEJJC-MRXNPFEDSA-N 300.362 1.642 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3ccncn3)CCO2)n1 257322991 WIHWCZDOUUESDR-CQSZACIVSA-N 313.361 1.151 0 40 DDAB Cn1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257255771 KITXNKIQZVPRNF-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB Cc1ncc(CNC(=O)c2ncoc2C)c([C@H]2CCCN2C)n1 257263431 LPXGQEPENQDCMD-CYBMUJFWSA-N 315.377 1.778 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3F)CC2)C1 257242882 IEPDQCQVIGRFAB-INIZCTEOSA-N 306.381 1.382 0 40 DDAB Cc1nccc(C(=O)N2CCC(c3ccnc4ccnn34)CC2)n1 257340334 ZFOIYSTZKWXOMN-UHFFFAOYSA-N 322.372 1.848 0 40 DDAB O=C(/C=C/c1ccco1)NCCn1ccc(-c2cnccn2)n1 253472339 LKXVOMDYTVXWAB-ONEGZZNKSA-N 309.329 1.763 0 40 DDAB Cc1cc(NC(=O)C(=O)NCC[C@H](O)c2cc(C)oc2C)no1 85561939 VZTLAPFAPOZOFS-LBPRGKRZSA-N 321.333 1.371 0 40 DDAB C[C@@](O)(CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(F)(F)F 270933971 QNQFEUMETYDBOJ-CYBMUJFWSA-N 316.279 1.614 0 40 DDAB CCCNC(=O)C1=NO[C@@]2(CCCN(Cc3nccs3)C2)C1 585101342 ZHMXLVWHQHUKHU-HNNXBMFYSA-N 322.434 1.780 0 40 DDAB CCN(C(=O)c1c(F)cccc1Cl)[C@@H]1COC[C@@H](O)[C@H]1O 585286162 JSTZVAWFPSEWOV-WZRBSPASSA-N 317.744 1.062 0 40 DDAB Cc1ccccc1O[C@@H]1CCC[C@H](N2CCN(C)CC2)[C@H]1O 585288861 BBXFDPFYOLOSIS-CGTJXYLNSA-N 304.434 1.903 0 40 DDAB NC(=O)CCCNC(=O)CCOc1ccc(F)cc1Cl 44524556 DFBJPEJYGWXGEX-UHFFFAOYSA-N 302.733 1.630 0 40 DDAB CN1C[C@@H](C(=O)N(C)Cc2cnn(-c3ccccc3)c2)CC1=O 44911854 WPYWKRCZFLPJGT-AWEZNQCLSA-N 312.373 1.309 0 40 DDAB COC[C@H](NC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(F)cc1 74925158 JGPFDNWHOFIEJR-GWCFXTLKSA-N 309.341 1.043 0 40 DDAB Cc1nc([C@@H](NC(=O)c2nccn2C)c2ccccc2F)no1 79065638 AOAQVRIYFILYIS-LBPRGKRZSA-N 315.308 1.770 0 40 DDAB O=C(CSC1CCCC1)Nc1cc(-n2cncn2)ncn1 96098004 CYYSZHCHWQJFCX-UHFFFAOYSA-N 304.379 1.672 0 40 DDAB O=c1/c(=C/c2ccc(Br)cc2)sc2n1CCN=2 13574109 FZTJQFHWRYULMQ-YFHOEESVSA-N 309.188 1.134 0 40 DDAB Cc1nc(CCN2CCN(Cc3ccccc3)CCC2=O)no1 12327497 QSZCJFYPKDLAIB-UHFFFAOYSA-N 314.389 1.655 0 40 DDAB CCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 13042502 MFQNIRGQUGZBAS-UHFFFAOYSA-N 318.398 1.826 0 40 DDAB O=C(NCCn1nc(-c2cccs2)oc1=O)c1cscn1 19344769 RNXZUQBHFIKYRJ-UHFFFAOYSA-N 322.371 1.451 0 40 DDAB CCS(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19520291 LOMLYAARSHXQDC-UHFFFAOYSA-N 312.439 1.534 0 40 DDAB CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)NC1=S 6401045 QZGZDBGHOSRLLT-POHAHGRESA-N 322.386 1.790 0 40 DDAB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2OC(=S)O[C@H]12 4990486 WQXKACVWXQXVKD-XQZGEAEESA-N 324.354 1.541 0 40 DDAB Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)no1 245039092 OEXVPUJIAVVFHQ-HAQNSBGRSA-N 302.334 1.893 0 40 DDAB O=C(NCc1cc2n(n1)CCCO2)c1ccnc(OC(F)F)c1 573384746 FSBVIPLUMCXORZ-UHFFFAOYSA-N 324.287 1.592 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncc(Cl)cn4)C[C@H]3C2)nn1 1888853803 UCPUDJIHWKAHEF-VXGBXAGGSA-N 316.796 1.801 0 40 DDAB COc1ccnc(N2CCC(C(=O)Nc3ncccn3)CC2)n1 24760332 VUYKONLSLUXNGC-UHFFFAOYSA-N 314.349 1.130 0 40 DDAB CC(C)NC(=O)CN(C)Cn1nc(-c2ccc(F)cc2)oc1=O 28791597 MEWMAVYQLNKEFW-UHFFFAOYSA-N 322.340 1.056 0 40 DDAB O=C1CC[C@@H](c2nc(CNC3CCC(F)(F)CC3)no2)N1 1775964252 YZZBDWOSMJXZIU-VIFPVBQESA-N 300.309 1.688 0 40 DDAB biogenic,in-vitro CCN1CCO[C@@H]2CN(C(=O)c3ccncc3OC)CC[C@@H]2C1 1565551479 RADKNYVEKPXOQR-CZUORRHYSA-N 319.405 1.273 0 40 DDAB Cn1cnc(C(=O)N[C@H]2CCCn3cnc(-c4ccccc4)c32)n1 2055713776 KHENMRAWOIYIBL-ZDUSSCGKSA-N 322.372 1.944 0 40 DDAB Cc1noc(C2CN(C(=O)c3cc(-c4ccco4)on3)C2)n1 49482277 SUKYNQVMXBODRO-UHFFFAOYSA-N 300.274 1.866 0 40 DDAB O=C(Nc1c(F)cccc1F)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585386540 DFCWPTQXRKCHTN-DTORHVGOSA-N 321.283 1.186 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)COCC(F)(F)F)c1 40548697 ILHAQTIUDCIPRF-UHFFFAOYSA-N 315.255 1.488 0 40 DDAB CCOc1ccc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cn1 51064852 RKPCEAMHQJONRE-AWEZNQCLSA-N 313.357 1.976 0 40 DDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccccc1F 69615660 XDPIKGLKGZTDBU-UHFFFAOYSA-N 318.352 1.607 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cncn1)NCc1ccco1 69615240 SPCXRJGYEVDUHK-ZDUSSCGKSA-N 303.366 1.042 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@@H](C(N)=O)C1 41128758 OOWOJCHMKBJVSZ-CQSZACIVSA-N 320.437 1.422 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(F)c2)C1 53202929 CQDPFEMWNBAZQN-JTQLQIEISA-N 302.371 1.207 0 40 DDAB Cc1cccc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 23290003 ANQPPUCIBNJWQB-MRXNPFEDSA-N 308.447 1.300 0 40 DDAB COC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc(N)cc32)N2CCC[C@H]12 54969072 UTIANWNXFPNUBS-CKUKBARFSA-N 301.346 1.074 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1 55199236 MGPKHHJSKSORHD-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB COC(=O)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O 1387816 MQSVICKTFXDDDG-UHFFFAOYSA-N 303.293 1.465 0 40 DDAB CC(=O)[C@@H]1CC(C(=O)NC2=NCCS2)=NN1c1ccccc1 72067435 QTMLRYAXZZCMDY-ZDUSSCGKSA-N 316.386 1.429 0 40 DDAB C[C@@H](SCc1nnnn1C1CC1)C(=O)NCc1ccccc1 56233215 YDYJKZKYDBMMEN-LLVKDONJSA-N 317.418 1.946 0 40 DDAB CC(C)C(=O)N1CCC(Nc2ncnc3c2cnn3C)CC1 26717003 NBJRABVAWJOSGU-UHFFFAOYSA-N 302.382 1.422 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(F)cccc1Cl 3382766 RSPBAQHKFMATDR-ZETCQYMHSA-N 316.716 1.870 0 40 DDAB CC[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccncc1 175111562 BACVFBWPPMYIJQ-CHWSQXEVSA-N 300.366 1.438 0 40 DDAB CC(C)c1ccc(C2(C(=O)NCCS(N)(=O)=O)CCC2)cc1 58264730 VELFUJGIURLAQV-UHFFFAOYSA-N 324.446 1.636 0 40 DDAB CN(C[C@H]1CCCCO1)C(=O)c1ccnc(-n2ccnc2)c1 58299622 YSUOZFLZINBCNF-CQSZACIVSA-N 300.362 1.908 0 40 DDAB C[C@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)C[C@H](C)O1 44968360 VWRFTNFFBFDHBN-STQMWFEESA-N 319.409 1.264 0 40 DDAB Cc1nc(N[C@H]2CCCN(c3ncccn3)C2)c2cnn(C)c2n1 44978830 JPGMTWKNGSWLJW-LBPRGKRZSA-N 324.392 1.543 0 40 DDAB O=C1CCc2cc(OCC(=O)N3CCSCC3)ccc2N1 44955047 AMEDAJWPBISSTE-UHFFFAOYSA-N 306.387 1.526 0 40 DDAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCSCC1 44954969 FQJHDCFFANJUNH-ZDUSSCGKSA-N 303.391 1.032 0 40 DDAB O=C(NCCCOC[C@@H]1CCCO1)c1cc(-c2ccco2)[nH]n1 44908425 RRHXHVMRQKISSX-LBPRGKRZSA-N 319.361 1.985 0 40 DDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccccn2)C1 58308514 XFOGMKQUSLFIBK-NSHDSACASA-N 312.395 1.017 0 40 DDAB O=C(CN1CCCC1=O)NC[C@H](c1ccco1)N1CCCC1 48234253 WDHDEKIPMSBANX-CYBMUJFWSA-N 305.378 1.155 0 40 DDAB O=C1CSCN1CC(=O)N1CCC[C@@H]1Cc1ccccc1 68746703 PFWIMQSLCQYETG-CQSZACIVSA-N 304.415 1.753 0 40 DDAB c1ccc(-n2nnnc2N[C@@H]2CCCN(c3ncccn3)C2)cc1 48310711 JPPDZJSIOFFPCT-CYBMUJFWSA-N 322.376 1.533 0 40 DDAB O=C(CSc1nnc(NC2CC2)s1)NC[C@H]1CCCO1 8039856 QEEIHWDJINUAPZ-SECBINFHSA-N 314.436 1.500 0 40 DDAB COc1cc(C)c(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1OC 110670910 SYBVRPFPGGRYMH-JKSUJKDBSA-N 320.433 1.965 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)[C@@H]2CCCO2)cc1OC 13183641 AGWCQUPBPBZIFK-YPMHNXCESA-N 323.345 1.515 0 40 DDAB O=C(O)C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 13427802 RSHBXJXLXWZSDR-CQSZACIVSA-N 324.340 1.764 0 40 DDAB COc1ccccc1N1CCN(C(=O)C2=COCCO2)CC1 8200738 KYSHCFIEXOTICP-UHFFFAOYSA-N 304.346 1.232 0 40 DDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3CCCO3)cc21 69378287 OBURZEXFNHHZJM-AWEZNQCLSA-N 319.361 1.274 0 40 DDAB COCCOc1ccc(NC(=O)NC[C@@H]2CCN(C)C2)cn1 69419386 QOSWYDNPOFMSGJ-LBPRGKRZSA-N 308.382 1.180 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@H](n2cccn2)C1 69463855 BCHVMEHQVSSYLL-CVEARBPZSA-N 318.421 1.838 0 40 DDAB O=C(COC(=O)c1n[nH]c2ccccc12)NC[C@H]1CCCO1 6370936 DAEWEPFQKVBWQE-SNVBAGLBSA-N 303.318 1.015 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCN2CCN(C)CC2)o1 65592823 WSWGPXSGMFJTPF-CXFYGJIZSA-N 317.433 1.780 0 40 DDAB CCOc1ncccc1CNC(=O)N1CC[C@H](N2CCCC2)C1 66178051 MFRMDAVNMREEMR-HNNXBMFYSA-N 318.421 1.860 0 40 DDAB CC(C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 4806964 VQKSNVYBVRXVSN-UHFFFAOYSA-N 304.371 1.873 0 40 DDAB CNC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)ccc1Cl 71288296 DWJOPUYCVKDLCS-WDEREUQCSA-N 324.764 1.995 0 40 DDAB Cc1cnc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)cn1 7536702 DMRXXLBXDHOAFW-NSHDSACASA-N 317.349 1.746 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cc(Cl)ccc1F 7523263 SCOZLVZSOYUGGU-UHFFFAOYSA-N 300.673 1.188 0 40 DDAB O=C(N1CC2(C1)OCC[C@@H]2CCOc1ccccn1)C1(F)CC1 306130506 JINWEVYEWIWPJK-ZDUSSCGKSA-N 320.364 1.970 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)CCNC(=O)c2ccco2)C12CCC2 89985666 UPWSMUYLYCSDGL-KBPBESRZSA-N 320.389 1.863 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(Cc3ccn(C(C)C)n3)C2)no1 76047307 BYPYHYWWMMNYQK-HNNXBMFYSA-N 318.425 1.862 0 40 DDAB CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)O 9550289 WIHFIKJBMOSUAE-CABZTGNLSA-N 315.366 1.916 0 40 DDAB CCn1c(Cn2cnnc2[S@](C)=O)nc2cc(F)ccc21 71899922 HOWQQDPMIQTNNI-OAQYLSRUSA-N 307.354 1.573 0 40 DDAB COc1cccc(COCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 71829548 JJVHULZGVKYLGM-OCCSQVGLSA-N 320.389 1.324 0 40 DDAB COCCN1C[C@H](C(=O)N2CCC[C@H]2c2cc(C)no2)CC1=O 71821554 FUJGZRJCXBABAG-OLZOCXBDSA-N 321.377 1.141 0 40 DDAB C[S@@](=O)c1nncn1CCCOc1ccc2c(c1)OCO2 71899914 KAOPLJXFCLLFEM-NRFANRHFSA-N 309.347 1.213 0 40 DDAB CC(C)c1cc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)n[nH]1 71829420 IQYLZOAARUFFDT-ZDUSSCGKSA-N 320.437 1.858 0 40 DDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@H](O)c1cccc(F)c1 71904645 KKGMVBYUOSXJKE-GYSYKLTISA-N 303.399 1.613 0 40 DDAB O=C(CCNC(=O)N1CCc2ccccc2C1)O[C@H]1CCOC1 71913778 XPYYYBQETCKNCJ-HNNXBMFYSA-N 318.373 1.477 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)c3cnns3)CCO2)n1 76046229 MMDGYPGPVUNVRZ-QMMMGPOBSA-N 322.394 1.167 0 40 DDAB CN(C[C@@H]1CCCN1c1cccnn1)c1ncnc2c1CCC2 72276319 KNECGOWRIPGLPV-ZDUSSCGKSA-N 310.405 1.861 0 40 DDAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)COC[C@H]1CCCO1 95396699 TVXPNBOZZWBLOS-KGLIPLIRSA-N 309.410 1.610 0 40 DDAB Cn1cc(N2CCC[C@H](n3nc(C(C)(C)C)oc3=O)C2=O)cn1 95414776 OOZLKWURBLOXRL-NSHDSACASA-N 319.365 1.235 0 40 DDAB CN(C)CCOCCNC(=O)Nc1ccccc1OC(F)F 95943853 IIHIJRNTKPHIFI-UHFFFAOYSA-N 317.336 1.988 0 40 DDAB CCC[C@@H]1C(=O)NCCN1c1nc(C2CC2)nc2c1CCC2 95980580 NCWISKZEKSVDNW-CQSZACIVSA-N 300.406 1.948 0 40 DDAB C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCC[C@@H]3CN)ccc2O1 95972639 IDIIJUZCRGYDEB-GYSYKLTISA-N 310.419 1.416 0 40 DDAB CO[C@@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 178093316 KTVYNUWFAONNFJ-DOTOQJQBSA-N 318.417 1.555 0 40 DDAB CN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccncc2)no1 20464186 KGBOURHYBVCYGV-STQMWFEESA-N 313.361 1.403 0 40 DDAB biogenic,in-vitro C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 408733401 IFZHBBLWIXHJRF-APYUEPQZSA-N 319.744 1.535 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@H]2CCCOC2)nc1 516967969 XHVOKTSCVKVXCT-GXTWGEPZSA-N 310.419 1.881 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 72324772 COHAKBKQYHEPDX-WCFLWFBJSA-N 324.808 1.708 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC(n3cnnc3O)CC2)[C@H]1C 529221716 HEEXFWILOUNLLX-MEWQQHAOSA-N 308.382 1.207 0 40 DDAB C[C@@H](CN(C)c1ncccc1S(N)(=O)=O)c1ccccc1 79037758 LODOKFTYFZKTOX-LBPRGKRZSA-N 305.403 1.969 0 40 DDAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C1(CO)CO 218038558 ZXSIRHQSPQZAHM-JKSUJKDBSA-N 318.394 1.597 0 40 DDAB Cc1nnc2c(N3CCN(C(=O)C4CC=CC4)CC3)nccn12 225445076 GEQUNZASJMOYCO-UHFFFAOYSA-N 312.377 1.048 0 40 DDAB CON(C)C(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 75163723 JIOZDDARCLMRTG-UHFFFAOYSA-N 301.228 1.315 0 40 DDAB O=C([C@@H]1CC=CCC1)N1CCN(C[C@H](O)c2ccco2)CC1 85436792 KYXNTSQUQWAOAJ-CABCVRRESA-N 304.390 1.814 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCOc1ccccc1 44903623 AQRHLMZBAAHJAF-UHFFFAOYSA-N 316.361 1.171 0 40 DDAB CC1CCN(C[C@H](O)CNC(=O)CCc2cccnc2)CC1 96407854 HFODYZMELQUDHR-MRXNPFEDSA-N 305.422 1.223 0 40 DDAB Cc1nc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)n[nH]1 96404583 GYENNWWEMVDYLS-UHFFFAOYSA-N 320.418 1.823 0 40 DDAB CC(C)OC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)N(C)C)C2 96040552 LWXTUBKGJVCQOT-KBPBESRZSA-N 320.455 1.089 0 40 DDAB CCc1c(Cl)nc(C)nc1NCCCNS(=O)(=O)CC 96429312 WPYVHFAJFQYAGE-UHFFFAOYSA-N 320.846 1.742 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(Cc3ccc(C)o3)[C@@H]2C1 96109420 BHUIVLPQQVXPIZ-BBWFWOEESA-N 308.422 1.756 0 40 DDAB c1cc(NC2CCOCC2)nc([C@@H]2COCCN2CC2CC2)n1 96216093 DDMFDLLBIBXJBP-HNNXBMFYSA-N 318.421 1.851 0 40 DDAB Cc1noc([C@@H]2C[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@H]3O2)n1 96042976 QSXRZAWLZUMQTH-ZMLRMANQSA-N 313.379 1.022 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCCc2ccccn2)c1 339318650 YNLILFUGRHSHQE-UHFFFAOYSA-N 313.357 1.065 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)NCC(=O)N(C)CC(F)(F)F)o1 96440817 OESRCOIBJURUHC-SECBINFHSA-N 321.299 1.969 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 96226919 ISAFPVYYHTXCGD-RHSMWYFYSA-N 314.389 1.948 0 40 DDAB CO[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1 247907995 XNJZEJJGZUAUPT-LBPRGKRZSA-N 302.334 1.420 0 40 DDAB COc1ccc([C@H](NC(=O)CCn2cnnn2)C(C)C)cc1 524734844 RIASWELPCZJCQL-OAHLLOKOSA-N 303.366 1.585 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)n1 257330683 XPLZJBZSVJXTED-FVQBIDKESA-N 314.389 1.779 0 40 DDAB Cc1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)on1 257236364 HBUQABDOCIPCCH-NSHDSACASA-N 302.334 1.597 0 40 DDAB COc1ccc(OCC(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257339141 ZAJBMFUUFLPZMD-RDJZCZTQSA-N 321.373 1.216 0 40 DDAB Cc1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)no1 257336666 YPLHTBVHKGOAGE-NSHDSACASA-N 302.334 1.597 0 40 DDAB Cc1nccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1 257256102 KKBZXWYBPCSOIR-CQSZACIVSA-N 313.361 1.747 0 40 DDAB CCOc1ccc2nnc(CNC(=O)c3sccc3C)n2n1 252479664 BJOUUPJOACKFAA-UHFFFAOYSA-N 317.374 1.823 0 40 DDAB Cc1ocnc1C(=O)N1CCO[C@@H](CCc2ccncn2)C1 257251076 JPHNITNDXPKUST-ZDUSSCGKSA-N 302.334 1.247 0 40 DDAB CCOC(=O)CCC(=O)N1CC(c2nc(-c3ccco3)no2)C1 96024261 NOZAJSRKMGDFCE-UHFFFAOYSA-N 319.317 1.599 0 40 DDAB COc1ncc(NS(=O)(=O)c2cccc(C)c2)c(OC)n1 96121362 BFVLNIBSBHIWET-UHFFFAOYSA-N 309.347 1.603 0 40 DDAB CC(=O)N[C@H]1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)C1 575241179 MXXYOAVZGFXCAF-JSGCOSHPSA-N 303.410 1.428 0 40 DDAB C[C@@]12CCN(C(=O)/C=C/CN3CCOCC3)[C@@H]1CC[C@@H](O)C2 585290865 IHMRTIJPGSNNLP-KLSWABSNSA-N 308.422 1.027 0 40 DDAB CC1(C)CC[C@@H](NC(=O)N2CCNC(=O)C2)c2ccccc21 57635153 NEJGBHDOYXMJQW-CQSZACIVSA-N 301.390 1.941 0 40 DDAB CCN(CC)CC(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 67732746 HHIFAQSUAGLVDM-LLVKDONJSA-N 301.456 1.144 0 40 DDAB Cc1ccc(C(C)(C)C(=O)NCC2(C(N)=O)CCOCC2)cc1 69520598 UEDILOWWBMIYIC-UHFFFAOYSA-N 318.417 1.671 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 69564386 YZRGCGOFBIHOQT-HNNXBMFYSA-N 316.401 1.755 0 40 DDAB Cc1ccn2/c(=N/C(=O)Cc3noc4ccccc34)[nH]nc2c1 88253540 QERWSSFAXLZWIM-UHFFFAOYSA-N 307.313 1.782 0 40 DDAB COC[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)OC 95994585 UTSFQYJOIJCBHN-OAHLLOKOSA-N 305.374 1.412 0 40 DDAB CCCCSC(SCCCC)[C@H](O)[C@@H](O)[C@H](O)CO 96300818 QUDBRYPRPNLJKZ-GRYCIOLGSA-N 312.497 1.454 0 40 DDAB CCOC(=O)CCCS(=O)(=O)NC[C@@H](O)c1ccsc1 95461990 BMDPKJXBNZRFNE-LLVKDONJSA-N 321.420 1.044 0 40 DDAB O=C(c1ccc(-n2cccc2)cc1)N1CC(Cn2cncn2)C1 952964627 JHLWZUFFEPWGJU-UHFFFAOYSA-N 307.357 1.841 0 40 DDAB O=C(/C=C/c1ccco1)Nc1cccc(C(=O)Nn2cnnc2)c1 14405913 BXKDAZLZDBYGLV-VOTSOKGWSA-N 323.312 1.907 0 40 DDAB CC1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 17355557 QGJOIEWBNBSTFW-UHFFFAOYSA-N 310.419 1.525 0 40 DDAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)C1CCC1 575616726 MFZUMQHRDFXQMW-VIFPVBQESA-N 302.300 1.819 0 40 DDAB Cc1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(C)n1 1888864403 FRJSGRJWRRLDDD-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB CO[C@H](CNC(=O)c1cn(C)nn1)c1cc2ccccc2o1 239846193 KYUOVEAKJUKADD-CQSZACIVSA-N 300.318 1.679 0 40 DDAB CC1CC(C(=O)NC[C@@H]2Cn3nnc(-c4ccoc4)c3CO2)C1 1614932406 LCARBVGFKRMXOB-KGPNIALWSA-N 316.361 1.599 0 40 DDAB Cn1cnc(C(=O)N2CCc3ncnc(-c4ccccc4)c3C2)n1 1565556578 WFUMEBKUQPICGT-UHFFFAOYSA-N 320.356 1.471 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1 9822724 MCILLTQTUBKDPD-OAHLLOKOSA-N 316.382 1.553 0 40 DDAB Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)ncn1 2086889390 RKMNDBVBCNEVLD-LBPRGKRZSA-N 310.423 1.178 0 40 DDAB Cn1ccc2ccn(CCNC(=O)/C=C/c3cccnc3)c(=O)c21 575618843 WPJFBRCUJGWUMY-SNAWJCMRSA-N 322.368 1.565 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N1CC(CN2C(=O)COC2=O)C1 575617596 XTXPSFYMVFJUDZ-UHFFFAOYSA-N 322.748 1.320 0 40 DDAB CN1c2ccc(NC(=O)c3ccco3)cc2N(C)S1(=O)=O 390826025 AAZGHKFUUCHNJI-UHFFFAOYSA-N 307.331 1.663 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cn[nH]c2)C1=O 40512184 DFEMGBQBONRKKZ-JTQLQIEISA-N 300.318 1.552 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)N1 102840020 RIIJVOUFVUGWKI-SDDRHHMPSA-N 305.378 1.013 0 40 DDAB COC(=O)c1c(O)c2c([nH]c1=O)CN(C(=O)OC(C)(C)C)CC2 148152627 ITXUFWQGHJHXIG-UHFFFAOYSA-N 324.333 1.160 0 40 DDAB Cc1cc(N2CCC(C(=O)N3CCOCC3)CC2)nc(C)n1 40490469 WZKZWXSEQDVWLB-UHFFFAOYSA-N 304.394 1.169 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 40539187 XHHUWAIBFRCMRQ-GFCCVEGCSA-N 320.345 1.766 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccncc2)c1 40553984 HLAASMDHLKYKIG-CQSZACIVSA-N 317.345 1.954 0 40 DDAB CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(C)s1 69689043 GBUZEWAOCVTMIP-JTQLQIEISA-N 304.437 1.851 0 40 DDAB COC(=O)[C@](O)(CC(=O)Nc1ccc(C)cc1)C(F)(F)F 2765994 PPBKDGAQZIXCPN-GFCCVEGCSA-N 305.252 1.790 0 40 DDAB Cc1cc(=O)n(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)[nH]1 2686743 HXOYDWHJMQALHP-UHFFFAOYSA-N 302.359 1.651 0 40 DDAB Cc1ccc(CNC(=O)c2nn(-c3ccccc3)nc2CO)cc1 21148967 DVHJCDHEGSTQHP-UHFFFAOYSA-N 322.368 1.998 0 40 DDAB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)n2ncnc2N[C@@]1(C)O 6822317 UJUIRZOSFAEDOK-OBJOEFQTSA-N 306.753 1.860 0 40 DDAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 21213381 YQCVHXUQNQAPJA-GFCCVEGCSA-N 316.386 1.568 0 40 DDAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)NC(C)C 8475835 WGEACJCBSNUYBU-UHFFFAOYSA-N 314.407 1.520 0 40 DDAB CCc1cc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 102210947 JIBXFNHOEJZNFZ-BJDJZHNGSA-N 320.370 1.118 0 40 DDAB C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1nc(N)nc(N)n1 17747880 BPFLJSKQHSUGIM-ZETCQYMHSA-N 323.740 1.200 0 40 DDAB O=C(/C=C/c1ccc(Br)cc1)NN1CCOCC1 483194 GJAIGEPWYLNNEU-ZZXKWVIFSA-N 311.179 1.826 0 40 DDAB COC(=O)c1ccc(/C=C/C(=O)NCCC(=O)N(C)C)cc1 32936630 XNKHGVSIZRZLBD-RMKNXTFCSA-N 304.346 1.081 0 40 DDAB O=C(NCc1ccc(F)cc1)c1ccc(N2CCOCC2)nc1 24497782 WXOOPFWZGGMVPD-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB CN1CCC(CCNC(=O)N2CCC[C@H](N3CCCC3)C2)CC1 103321284 PBGODYMYOOLZIH-KRWDZBQOSA-N 322.497 1.988 0 40 DDAB CC(C)CO[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 47382937 LARCHCWTUQFVBG-CQSZACIVSA-N 321.421 1.596 0 40 DDAB O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)C1CCCC1 23382986 SRGSSACDYSXHAU-UHFFFAOYSA-N 321.465 1.627 0 40 DDAB COc1ncccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 47521096 JPCPVUMSYLQABC-UHFFFAOYSA-N 322.342 1.898 0 40 DDAB O=C1CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CCN1 23420304 WJWRZSNXGAOEIT-UHFFFAOYSA-N 310.737 1.073 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cn1 47523248 MKTMPZQEOGVCKP-UHFFFAOYSA-N 311.389 1.789 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2nc(-c3ccc[nH]3)cs2)C1 47769166 GYEXZXDRFMBLEZ-MRVPVSSYSA-N 305.363 1.477 0 40 DDAB Cc1c(C(=O)NCCCC(N)=O)cnn1-c1cccc(Cl)c1 42924965 XSJZLEPYTFAKFF-UHFFFAOYSA-N 320.780 1.829 0 40 DDAB O=C(Nc1cccnc1)c1c(O)n2c3c(cccc3c1=O)CC2 1245525 SEVZLSAGJIERLI-UHFFFAOYSA-N 307.309 1.911 0 40 DDAB Cc1nc(C(=O)N2CCC[C@]3(CCN(C)C3=O)CC2)cs1 108530853 MNAZEDXPSPRMPN-HNNXBMFYSA-N 307.419 1.926 0 40 DDAB Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(C(N)=O)CC1 56841829 BOUGOFIVNUOGJB-OAHLLOKOSA-N 301.390 1.889 0 40 DDAB C[C@@H]1Cc2cc(C(=O)N(C)CC3CC3)ccc2N1S(C)(=O)=O 47904345 VWVGCEDSQPBHJB-LLVKDONJSA-N 322.430 1.879 0 40 DDAB OCCN1CCC(CNCc2cc3ccccc3nc2O)CC1 69739614 FTIDDMOLGIZOPT-UHFFFAOYSA-N 315.417 1.734 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)CCOc2ccccc2)C[C@H](C)O1 3254141 DYYNUDZSDRJDRK-KBPBESRZSA-N 321.373 1.635 0 40 DDAB COc1cc(C(=O)CSc2nncn2C)cc(OC)c1OC 3225161 JLBHMDTWXMRZBT-UHFFFAOYSA-N 323.374 1.816 0 40 DDAB COC(=O)CSc1sc(C(=O)OC)c(N)c1NC(C)=O 27562664 POQVACBORDQJDM-UHFFFAOYSA-N 318.376 1.340 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCNc1ncccn1 48010158 HNRJAHNLDKUBTB-BXUZGUMPSA-N 314.345 1.233 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 48130436 NUQJCGRADOXZTE-ZIAGYGMSSA-N 301.346 1.642 0 40 DDAB COCCCNC(=O)Nc1ccccc1CN1CCOCC1 48146834 KCZOSWXQMIWFFI-UHFFFAOYSA-N 307.394 1.677 0 40 DDAB Cc1cnc(NC(=O)[C@H](C)NC(=O)COc2ccccc2)s1 58228630 XYEOZJQXKSHOEU-NSHDSACASA-N 319.386 1.974 0 40 DDAB O=C(NCCN1CCCCC1)NCc1nnc2ccccn12 44966648 TZVHOXNBPCYYRA-UHFFFAOYSA-N 302.382 1.014 0 40 DDAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)co1)CC2 36369838 GUTCFBBJIMNIIU-UHFFFAOYSA-N 317.341 1.921 0 40 DDAB biogenic C[C@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@@H](C)CO1 45447388 ILYXIGGOLRFOHM-RYUDHWBXSA-N 315.373 1.112 0 40 DDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1ccco1 36593532 QTMYCWVOYOWSLC-CYBMUJFWSA-N 313.313 1.037 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)N1CCCc2cc(F)ccc21 48234786 XDTQYJUXTWTBAK-ZDUSSCGKSA-N 305.353 1.957 0 40 DDAB CCNC(=O)CN(c1ccc(Cl)cc1F)S(C)(=O)=O 8185859 WAKRTDLJGBZABG-UHFFFAOYSA-N 308.762 1.381 0 40 DDAB O=C(N[C@H]1CCOc2ccccc21)c1cnc2ccccn2c1=O 12815460 ZTZMGQRTLDBRGZ-AWEZNQCLSA-N 321.336 1.948 0 40 DDAB CCOCC(=O)N1CCCN(Cc2csc(CC)n2)CC1 70015589 WTFMVUXCWKCHIB-UHFFFAOYSA-N 311.451 1.776 0 40 DDAB Cc1nnc2ccc(N3CCN(Cc4cccnc4)CC3)nn12 69370660 QOPSXAKHKFOXEK-UHFFFAOYSA-N 309.377 1.150 0 40 DDAB COC(=O)c1ccc2c(c1)CCN2C(=O)CN(C)C(=O)OC 49635996 ACGGQIVNPNLVOY-UHFFFAOYSA-N 306.318 1.061 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)CCO3)C2 69492989 SSHVXCGUZCNGSD-UHFFFAOYSA-N 312.373 1.360 0 40 DDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCO1 69416858 RRBJNFIFNJXOGQ-WDEREUQCSA-N 316.423 1.592 0 40 DDAB Cc1nnc(COC(=O)C[C@H]2Sc3ccccc3NC2=O)o1 5288913 YTOKBJUBHMIIRU-LLVKDONJSA-N 319.342 1.924 0 40 DDAB CC(C)c1ncncc1C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 65452638 QEDHZHSEHAJCOA-CHWSQXEVSA-N 306.410 1.439 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 65403905 YROPKFOMNPKKHS-OAHLLOKOSA-N 303.406 1.103 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)cc1 65552986 NTJUZZKFHXRERN-GDBMZVCRSA-N 316.401 1.386 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CNC[C@@H]2CN(C)CCO2)cc1C 69870100 WPFIJCXGBFZPHF-NVXWUHKLSA-N 319.449 1.401 0 40 DDAB O=C1CCCN1CCCNS(=O)(=O)c1cccc(Cl)c1 6471407 DEHCMQRQKZJZEU-UHFFFAOYSA-N 316.810 1.631 0 40 DDAB CC(C)(C)CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 69568791 GIIYCASSWMSCRN-UHFFFAOYSA-N 319.405 1.906 0 40 DDAB COc1ccc(NC(=O)NCc2c(C)c(C)n[nH]c2=O)cn1 69592081 RBLIHDBSVMASKX-UHFFFAOYSA-N 303.322 1.112 0 40 DDAB c1nc(N2CCCC2)cc(N2CCN(Cc3ccon3)CC2)n1 302889091 MYKPHDHZNKTJNR-UHFFFAOYSA-N 314.393 1.387 0 40 DDAB O=C(CC1CC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306123932 BAVYYFNIIHKCNC-AWEZNQCLSA-N 302.374 1.878 0 40 DDAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCC[n+]1ccccc1 18212607 KAJVHSYIMJGDTK-KBPBESRZSA-N 305.785 1.882 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 7653570 GJXSJVUOHAIKRY-AWEZNQCLSA-N 311.288 1.624 0 40 DDAB O=C1NC(=O)C(CCc2ccncc2)(Cc2ccccc2)C(=O)N1 8997376 OMDBKQPXCDWVJX-UHFFFAOYSA-N 323.352 1.609 0 40 DDAB C[C@@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)[S@@](C)=O 89901210 UPIOXGLQCNSKRR-SAHAZLINSA-N 318.398 1.539 0 40 DDAB CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCCc2occc21 84139855 WXXCDILNEHZRFE-JTQLQIEISA-N 300.380 1.101 0 40 DDAB c1nc(N2CCOCC2)cc(N2CCN(CC3CCC3)CC2)n1 96441451 ZNNCLDCWLSNOQH-UHFFFAOYSA-N 317.437 1.235 0 40 DDAB C[C@H]1CCCN(C(=O)CNc2ccc(CC(=O)N(C)C)cc2)C1 96414779 ULEIAGANVNYWRY-AWEZNQCLSA-N 317.433 1.988 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)Cc3cccc(O)c3)C2)cn1 96410558 OIKKUEDOUSNFIY-CYBMUJFWSA-N 300.362 1.063 0 40 DDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2cnn(C)c2)C1 96420697 SUNZGJANTWGIIM-AWEZNQCLSA-N 321.425 1.114 0 40 DDAB NC(=O)Cn1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 71821405 NTYXSVNKDQWJQT-UHFFFAOYSA-N 302.309 1.178 0 40 DDAB Cc1cc(OCC(=O)N2CCNC(=O)CC2)ccc1C(C)C 71839608 MAHMLXZXXUQRAE-UHFFFAOYSA-N 304.390 1.846 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCCOc1ccccc1 71829568 XCCWUTBDHTUCAO-KGLIPLIRSA-N 320.389 1.194 0 40 DDAB CCc1nnsc1C(=O)N1CCCN(c2cccnn2)CC1 71860322 WQZVMKCNWOALDP-UHFFFAOYSA-N 318.406 1.243 0 40 DDAB COc1ccnc(N2CCN(Cn3cc(Cl)cn3)CC2)n1 71826801 HCNRTYVDZYEDET-UHFFFAOYSA-N 308.773 1.115 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)c2cccn2C)CC1 71863852 FFGKDZVMDTZBJS-UHFFFAOYSA-N 315.421 1.590 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 71915814 BEXDCNXXAZCNSA-UHFFFAOYSA-N 316.810 1.334 0 40 DDAB COc1cc(/C=C/C(=O)NC2=NCCS2)cc2c1OCCO2 9689690 XSFIHQCAUARXCJ-NSCUHMNNSA-N 320.370 1.699 0 40 DDAB Cc1nnc([C@H](C)OC(=O)c2ccccc2Cn2cncn2)o1 76090370 NOADHCFPHZEABC-JTQLQIEISA-N 313.317 1.936 0 40 DDAB Cc1cccc(N2CCN(C(=O)CSc3cn[nH]n3)CC2)c1 97012142 IXYMIVROIVEZIV-UHFFFAOYSA-N 317.418 1.554 0 40 DDAB NC(=O)c1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccn1 97095856 WKHUXSFGSURFIG-OAHLLOKOSA-N 318.421 1.262 0 40 DDAB Cc1cccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 84210702 SYZXJUYGRIEEPH-SJORKVTESA-N 302.418 1.595 0 40 DDAB CCc1nnc2n1C[C@H](NCc1cccc3c1OCO3)CC2 97199582 HWLSGVCKCKHVBN-GFCCVEGCSA-N 300.362 1.674 0 40 DDAB O=S1(=O)CCN(Cc2nc3ccccc3n2C(F)F)CC1 72603119 KZJIRNZIGMOPCL-UHFFFAOYSA-N 315.345 1.662 0 40 DDAB C[C@H](CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)[S@](C)=O 95436483 XIPRHMLPZZJBNV-ZJNREGCTSA-N 314.373 1.144 0 40 DDAB Cc1nnc2c(NCCC(=O)N(C)Cc3ccccc3)nccn12 95405411 XIQUBQVRPGYDMZ-UHFFFAOYSA-N 324.388 1.893 0 40 DDAB CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 95507599 PWPQUFXNXWPFMT-ZDUSSCGKSA-N 316.409 1.188 0 40 DDAB O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCCS1(=O)=O 98015883 ZNPLWDYPGBVZAU-GDBMZVCRSA-N 305.399 1.843 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)c3ccncc3F)CC2)S1 78950753 PCHFVAKDXDKSPP-SNVBAGLBSA-N 308.382 1.470 0 40 DDAB CO[C@H]1CNC[C@@H]1NC(=O)c1cccc(Br)c1C 88441905 AEWHQXSIEHKNGV-RYUDHWBXSA-N 313.195 1.474 0 40 DDAB CN1C[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)CC1=O 95954332 NLJCJISNKHOGER-JSGCOSHPSA-N 307.369 1.023 0 40 DDAB CCCCN1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95999600 IIJIWUOCAZQYGZ-INIZCTEOSA-N 319.453 1.333 0 40 DDAB Cc1sc2ncnc(NCCCc3n[nH]c(=O)[nH]3)c2c1C 95963826 WXGXBFPZNFEJIY-UHFFFAOYSA-N 304.379 1.764 0 40 DDAB C[C@@H](CCO)CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 95961829 GIIIRYQBXQWSJM-GWCFXTLKSA-N 301.383 1.652 0 40 DDAB CC[S@](=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 89104891 APLZUDJENDSAQC-HXUWFJFHSA-N 302.306 1.532 0 40 DDAB Cc1nn(C)cc1-c1nn2c(-c3cnn(C)c3C)nnc2s1 79495579 PVRUXLRGKNTCQM-UHFFFAOYSA-N 314.378 1.604 0 40 DDAB Cn1nccc1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75119587 QJLSXCMAFZLMLB-UHFFFAOYSA-N 308.341 1.705 0 40 DDAB O=C1[C@H](N(Cc2cccnc2)C[C@@H]2CCCO2)CCN1C1CC1 89793972 DUDQCOXSBJDIMU-DLBZAZTESA-N 315.417 1.826 0 40 DDAB CC(C)c1nccc(N2CCN(c3ncc(F)cn3)CC2)n1 353280746 FPLDSHLBDRXQIO-UHFFFAOYSA-N 302.357 1.856 0 40 DDAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(C3CC3)nc21 36617288 STPPXFWXAIJFSQ-UHFFFAOYSA-N 321.358 1.676 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 72238135 WAJIQVDVANCEDP-WFASDCNBSA-N 323.462 1.726 0 40 DDAB Cc1cc(C(=O)N2CCC(C)CC2)nc(N2CCOCC2)n1 71195525 OUZPZANHRAGFOG-UHFFFAOYSA-N 304.394 1.494 0 40 DDAB COC(=O)C1(NCC(=O)N(C)Cc2ccco2)CCCCC1 71910879 MPZSLHKXJKAQGV-UHFFFAOYSA-N 308.378 1.704 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 222349185 RWQVTRRMQBFQPY-ARILJUKYSA-N 316.401 1.633 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 225788755 CEHHARBVLAPYBK-RNJOBUHISA-N 323.732 1.941 0 40 DDAB O=C(CNC[C@H](O)COc1cccc2[nH]ccc12)N1CCCC1 573358466 PIEFBNUMXJLLKR-ZDUSSCGKSA-N 317.389 1.120 0 40 DDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)nn1 567968884 DEAGZJJEDDKYBD-NEPJUHHUSA-N 322.365 1.099 0 40 DDAB C[C@@H](O)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 192539019 GBJHVKLLDDFUMK-LERXQTSPSA-N 311.813 1.765 0 40 DDAB CCCNC(=O)Nc1ncnc2c1ncn2C(=O)NCCC 44790153 CFKOLMKXEPTVLK-UHFFFAOYSA-N 305.342 1.326 0 40 DDAB C[C@H]1CN([C@H](C)c2nnnn2C2CCCCC2)CCN1CCO 225549823 ZKSASEAYAOFYIA-UONOGXRCSA-N 322.457 1.238 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1 198537065 BOGDCZNKYYXXEJ-UHFFFAOYSA-N 318.398 1.867 0 40 DDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)NCc1cccn1C)C2 225459409 HELDURSOOZJWLQ-CXAGYDPISA-N 319.405 1.900 0 40 DDAB O=C(NCC[C@H](O)c1ccco1)C(=O)NCc1ccc(F)cc1 77112189 ZDOOEJUOCSLQAV-ZDUSSCGKSA-N 320.320 1.275 0 40 DDAB C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn[nH]n2)CC1 96426835 ZTMPXQLZVYVQHN-LLVKDONJSA-N 319.796 1.977 0 40 DDAB CCN1C[C@H](COC(=O)c2ccc(-n3ccnc3)cc2)CC1=O 97230979 KBMBLZCCKMMKGY-CYBMUJFWSA-N 313.357 1.898 0 40 DDAB CS(=O)(=O)CCN(C#N)c1ccc(F)c(Br)c1 96447838 PHNSYQWAMXLWFE-UHFFFAOYSA-N 321.171 1.920 0 40 DDAB CO[C@H]1CCN(Cc2cc(C)on2)[C@@H]2CN(CC3CC3)C[C@H]12 96109449 BUMZPHWGYPDWGN-BBWFWOEESA-N 305.422 1.914 0 40 DDAB CN1CCN(C(=O)c2ccc(=O)n(C)c2)c2ccc(F)cc21 96432413 IQRJPXWEPOFADJ-UHFFFAOYSA-N 301.321 1.621 0 40 DDAB Cn1nnc2cc(C(=O)O[C@H]3[C@H]4CCO[C@H]4C3(C)C)ccc21 96416280 IKLANMQESYWBLQ-GDLCADMTSA-N 301.346 1.939 0 40 DDAB COC(=O)C[C@H]1CN(c2cncc(Br)c2)CCO1 96453938 SMJLLANYTHDWGK-NSHDSACASA-N 315.167 1.612 0 40 DDAB O=C(N1CCCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 96038712 YOPPKEZPRPFATJ-SJLPKXTDSA-N 315.417 1.685 0 40 DDAB Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1ccco1)C2 96060705 FMVOQEZVNBFBRF-ZDUSSCGKSA-N 302.378 1.934 0 40 DDAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cnccn1)C2 96056838 FGIJPRNUWUWMLD-GOEBONIOSA-N 305.378 1.524 0 40 DDAB Cc1ncccc1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414056 UPZLTSYFXSMFMC-VIFPVBQESA-N 301.268 1.283 0 40 DDAB O=C([C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCC1 96041143 FPCFDPQLGSQKAQ-MELADBBJSA-N 321.446 1.602 0 40 DDAB O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 96063651 UKBKACILZUOZJS-CALCHBBNSA-N 308.385 1.681 0 40 DDAB COCCN1C(=O)CCC12CCN(c1ccc(C)nn1)CC2 96228066 WMWTWBDEXMIAPF-UHFFFAOYSA-N 304.394 1.393 0 40 DDAB Fc1cnc(N2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1 96107828 PVYNEYPWAXGXFG-CJNGLKHVSA-N 316.336 1.828 0 40 DDAB Cc1cccc(CN2CCO[C@H]3CN(Cc4cccnc4)C[C@H]32)n1 96248837 ICCODPJUAGTSAO-MOPGFXCFSA-N 324.428 1.870 0 40 DDAB CS(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCNCC2)C1 96205754 ZVBVUCJEVLPEBD-VIFPVBQESA-N 300.346 1.200 0 40 DDAB CN(CCOC[C@H]1CCCO1)[C@H](C(N)=O)c1cccc(F)c1 96421106 YIRYJRGSMSOICZ-CABCVRRESA-N 310.369 1.480 0 40 DDAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)C1 253369445 CSZSPJORDWPHAK-KBXIAJHMSA-N 307.438 1.282 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2nc(C)cc2C)[C@H]1O 257321921 WDVQOLHYIIEMCG-BFYDXBDKSA-N 323.437 1.667 0 40 DDAB CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2cnccn2)c1C 257282235 OSZAIPJSUKQVAS-ZDUSSCGKSA-N 321.406 1.527 0 40 DDAB Cn1nccc1C(=O)N1CCOC[C@@H](Cc2cccc(F)c2)C1 257329179 XIVLNWBGMLPVMG-AWEZNQCLSA-N 317.364 1.891 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2ccnc2)C[C@H]1c1ccccc1 257220655 DLPIVBWUMIYXCD-INIZCTEOSA-N 312.373 1.315 0 40 DDAB Cn1cnc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)c1 257290461 QDBHXQFCIWTFQZ-YNEHKIRRSA-N 312.377 1.173 0 40 DDAB CO[C@H]1CN(C(=O)CN(C)C2CCCC2)CC[C@@]12CCCO2 257324255 WNWLZKFUXDDDSA-RDJZCZTQSA-N 310.438 1.657 0 40 DDAB CCOc1ccc(-n2nc(C(=O)O)c(N3CCCC3)n2)cc1 256048169 RDPIONJHHTVLCG-UHFFFAOYSA-N 302.334 1.964 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 257205172 AXXUUYFWTYZYEG-CYBMUJFWSA-N 301.394 1.790 0 40 DDAB O=C(O)Cn1cnc(NC(=O)[C@@H]2CCCc3ccccc32)n1 647780828 PMMJXPOLZRPWLB-GFCCVEGCSA-N 300.318 1.421 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@H](OCCO)c1cccs1 575606029 IWNVQHOYWKLJFA-NSHDSACASA-N 310.375 1.833 0 40 DDAB CCCC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@@H]1C 585098589 VASJGOHHAIQITP-ZDUSSCGKSA-N 318.421 1.751 0 40 DDAB COC(=O)C[C@@H]1Cc2ccccc2N1C(=O)Cc1cncn1C 585141206 QZXLYFQBWWWGMX-ZDUSSCGKSA-N 313.357 1.484 0 40 DDAB Cc1noc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 56911868 WTAIKBYYOMZXML-UHFFFAOYSA-N 319.346 1.405 0 40 DDAB Cn1ncc2c(=O)[nH]c(NC[C@H](O)c3ccc(Cl)cc3)nc21 57841330 PBMLDJQCOAYXKJ-NSHDSACASA-N 319.752 1.456 0 40 DDAB Cc1ncc2c(n1)CN(Cc1cn(-c3ccccc3)nn1)CC2 69490386 BTFKWVZYIUGLEK-UHFFFAOYSA-N 306.373 1.924 0 40 DDAB O=C(Nc1nc[nH]n1)c1occc1CN1C(=O)Cc2ccccc21 69567899 KJIICBFJZAHOET-UHFFFAOYSA-N 323.312 1.739 0 40 DDAB Cc1ccn(-c2cccc(C(=O)N3CCn4c(C)nnc4C3)c2)n1 69560183 RUWSVFKKAMWDMV-UHFFFAOYSA-N 322.372 1.737 0 40 DDAB CCOC(=O)c1cn(CC(=O)NC2CC2)nc1C(F)(F)F 69629914 UAFGMVBILOKTJN-UHFFFAOYSA-N 305.256 1.357 0 40 DDAB O=C(COc1ccccc1)N1CCC(Nc2cccnn2)CC1 69655456 KDIFXMZWMOXNBT-UHFFFAOYSA-N 312.373 1.959 0 40 DDAB Cc1cnnc(N2CCN(Cc3nccn3C(F)F)CC2)c1 892046533 TZCBKRLWMMXCQO-UHFFFAOYSA-N 308.336 1.699 0 40 DDAB C[C@@H](CN1CCC(C2(C)OCCO2)CC1)CS(C)(=O)=O 95966282 KHUSXIBYZONCNZ-LBPRGKRZSA-N 305.440 1.142 0 40 DDAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)N1CCOCC1 12938228 YAGUWGBPMFOMSV-NSHDSACASA-N 303.318 1.363 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cccnc1 13688767 VDGAXZRQRQQJQT-OKILXGFUSA-N 313.357 1.039 0 40 DDAB Cc1nn(C[C@H](C)C(=O)NCCc2cnccn2)c(C)c1C 19556919 VNSIQPJFVABEGG-NSHDSACASA-N 301.394 1.593 0 40 DDAB Cc1cc(C(=O)NCc2noc(C)n2)c2cnn(C(C)C)c2n1 19569497 GZCXDYQZYWSYRT-UHFFFAOYSA-N 314.349 1.942 0 40 DDAB CCn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21 19936707 LZLYLIYMCSVVAS-UHFFFAOYSA-N 310.375 1.835 0 40 DDAB Cc1c(NC(=O)C(=O)N(C)CCN(C)C)cccc1N(C)C 154813277 GWQPSTMTFDVRNL-UHFFFAOYSA-N 306.410 1.020 0 40 DDAB O=C(CCc1ccccc1F)NC1CN(c2cnccn2)C1 1888856513 KOGBJTFLEDUCGN-UHFFFAOYSA-N 300.337 1.553 0 40 DDAB COCCN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848590379 IPEDVDHVABODEH-UHFFFAOYSA-N 319.380 1.894 0 40 DDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cn1 25310871 CSQWTXVCJJDLCH-AWEZNQCLSA-N 324.384 1.900 0 40 DDAB CCOc1ccc(S(=O)(=O)NCCn2ccnc2)cc1C 30322626 MBIIMYNPEGQWSI-UHFFFAOYSA-N 309.391 1.569 0 40 DDAB CS(=O)(=O)NC[C@@](O)(c1ccsc1)c1cccs1 238837361 HAQMMOKPDGJKJR-LLVKDONJSA-N 303.430 1.595 0 40 DDAB COc1cc(C)ccc1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037984059 OTJNGVHVTZUFLL-HOTGVXAUSA-N 318.417 1.683 0 40 DDAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(C(=O)C3CC(C)C3)C[C@H]1O2 1565547263 HSEYKNOIZQFHHQ-MMCPYJTDSA-N 308.422 1.421 0 40 DDAB COc1ccc(N2C[C@@H](NC(=O)N3CCCCC3)CC2=O)cc1 5190493 FCTOHCNEEDDSEA-ZDUSSCGKSA-N 317.389 1.996 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2)ncn1 1888965440 HYXCOQRUCNFTBE-STQMWFEESA-N 322.359 1.725 0 40 DDAB COCCNC(=O)Cn1c(-c2ccccn2)nc2ccccc21 38670398 VAHCPDQMGRSPLR-UHFFFAOYSA-N 310.357 1.861 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](Oc2ccncc2)C1 575613568 RYIGLRLMMYXECI-CQSZACIVSA-N 319.386 1.709 0 40 DDAB Cc1nnc2c(N3CC(c4nnc5ccccn45)C3)nccn12 2298230475 ZMBWFIBBYILECK-UHFFFAOYSA-N 306.333 1.079 0 40 DDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc2c(c1)OCO2 3313642 JBQCDWZOMLRMPA-UHFFFAOYSA-N 310.265 1.551 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C 40161927 KRIXIVSRVMNNMK-MRVPVSSYSA-N 308.363 1.236 0 40 DDAB COc1ccc(NC(=O)CN(C)Cc2nnnn2C2CC2)cc1 31173041 YYSXMCKWOMZEHE-UHFFFAOYSA-N 316.365 1.087 0 40 DDAB COc1ncccc1NS(=O)(=O)c1cc(C(=O)O)cs1 37045670 GUSPKLUDXAQOIS-UHFFFAOYSA-N 314.344 1.651 0 40 DDAB CO[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 20866820 GOHDMVQCBHCDQZ-WCQYABFASA-N 307.346 1.820 0 40 DDAB Cc1ccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c2c1 20841019 RKLGYWHHBRHXTM-UHFFFAOYSA-N 311.389 1.091 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1 6344454 CQMWNAHSFVPGJL-UHFFFAOYSA-N 319.386 1.698 0 40 DDAB in-vivo CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)cs1 6680992 ZMAYLAWSWCTMTL-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3ccccc3F)C[C@@H]21 108528463 STURVVQIZJEIKM-IRXDYDNUSA-N 308.397 1.747 0 40 DDAB CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCOCC1 21999541 HGCMORIXARVWPL-UHFFFAOYSA-N 319.405 1.343 0 40 DDAB CC(C)CC(=O)N[C@@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 53129531 AKAJJJWFZLNKEB-NSHDSACASA-N 315.377 1.590 0 40 DDAB CCCCCNC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O 42091294 LGYNJGZSTQTSCN-UHFFFAOYSA-N 314.389 1.989 0 40 DDAB COC(=O)/C=C(\Nc1ccc(OCCO)cc1)C(=O)NC(C)C 12324510 MRXWUYFZZKSQHT-UVTDQMKNSA-N 322.361 1.051 0 40 DDAB O=C1[C@@H]2OC[C@H](O2)[C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@H]12 100250686 CLDOBSIZFBVYSI-JGBXFCRRSA-N 302.370 1.958 0 40 DDAB biogenic,in-vitro CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1cnn2C 12485876 JOYZWAJVMHSZBY-UHFFFAOYSA-N 311.345 1.771 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)CNC(=O)c3ccccc3)cc12 23098880 SLBPQSGXQSLVPD-UHFFFAOYSA-N 323.356 1.645 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccs2)CC1 54621021 XHUAHAGGGFHOQZ-UHFFFAOYSA-N 320.422 1.244 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(Cl)o1 24684784 LUQSFEYVFWHRPY-VIFPVBQESA-N 320.798 1.477 0 40 DDAB CCCc1noc(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 28485155 BIQHAFAUEUZQRB-UHFFFAOYSA-N 318.377 1.576 0 40 DDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOC[C@H]2C)o1 106917490 WIBRSPNDIHKZML-DGCLKSJQSA-N 314.407 1.690 0 40 DDAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 107075173 LRIXQSYFHHEDHC-VNHYZAJKSA-N 307.438 1.375 0 40 DDAB Cc1cc(C)nc(Nc2nc3c4ccccc4[nH]c(=O)n3n2)n1 20799774 HRXFGLNJBGRLLH-UHFFFAOYSA-N 307.317 1.721 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1C 58289530 PXGFDZUIWLUAKW-NSHDSACASA-N 314.407 1.197 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc2c(c1)CCO2 58224330 HNQXVYQIMMITRB-MRXNPFEDSA-N 324.380 1.377 0 40 DDAB CCC(CC)[C@H](CNc1ccc2nnnn2n1)N1CCCC1 58279931 QWSGUNFQVLMSTO-ZDUSSCGKSA-N 303.414 1.832 0 40 DDAB O=C(NCCCCN1CCOCC1)N1CCc2sccc2C1 44970202 PDHUMIWMXWOUHI-UHFFFAOYSA-N 323.462 1.928 0 40 DDAB O=C(NCc1ccoc1)Nc1ccc(N2CCOCC2)nc1 48069897 BKWIELKLYPSYHW-UHFFFAOYSA-N 302.334 1.833 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(N)=O)C2)cc1F 12762806 WDAULWMRDCMBTQ-HOSRBBHYSA-N 306.337 1.571 0 40 DDAB O=C(NCCc1ccccn1)NCc1ccc2c(c1)OCCO2 48260896 DAXDTHDQMAJEPB-UHFFFAOYSA-N 313.357 1.895 0 40 DDAB CN(C)C[C@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)CCO1 70016324 PTKINSJUXGQFGE-KRWDZBQOSA-N 318.396 1.774 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1 3591127 ULYMHSXFSKOHGH-UHFFFAOYSA-N 308.334 1.403 0 40 DDAB in-vivo NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)on1 69741302 UXPBLOXXGIWHIG-ZDUSSCGKSA-N 323.308 1.991 0 40 DDAB CC(C)N(CC(N)=O)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 69736958 CVHJPRLKXKRTMD-UHFFFAOYSA-N 306.410 1.851 0 40 DDAB CNC(=O)NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 69302840 CSDDTBHIPLERNB-NSHDSACASA-N 318.402 1.889 0 40 DDAB O=C1CN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CCN1 17818547 QOHHRBUEEUDPHQ-UHFFFAOYSA-N 313.313 1.104 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1 13118096 DNXZZQJSOGXNHD-RISCZKNCSA-N 310.419 1.903 0 40 DDAB Cc1ccc([C@@H]2NC(N)=Nc3nc(=O)c4ccccc4n32)cc1 13635363 BZOFNDDXXUWKIW-CQSZACIVSA-N 305.341 1.801 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)N2CCCC[C@H]2C)CC1 69439571 NDIZQGYAXVIEQY-ROKHWSDSSA-N 316.467 1.886 0 40 DDAB COc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc2c1OCCO2 65434707 DNIHWOXSTWTMRZ-WDEREUQCSA-N 307.346 1.716 0 40 DDAB O=S(=O)(Cc1noc(C2CC2)n1)Cc1nc(C2CC2)no1 65462627 XUUOXNNOYCAYIT-UHFFFAOYSA-N 310.335 1.322 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc21 14020045 KANXSYJROYRXPU-UHFFFAOYSA-N 317.736 1.422 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1Cl 18008004 XIAIOVGLUMSCDW-NSHDSACASA-N 305.725 1.788 0 40 DDAB O=C(Cn1nnc(-c2cccs2)n1)NCCc1cccs1 65548194 IWZBAZHOSQZEFH-UHFFFAOYSA-N 319.415 1.822 0 40 DDAB Cc1nn(CC(=O)N2CCC(CC(N)=O)CC2)c(C)c1Cl 65532624 YVYCFBGKSUJJOV-UHFFFAOYSA-N 312.801 1.267 0 40 DDAB CCc1ncc2c(n1)CN([C@@H](C)C(=O)Nc1ncccn1)CC2 69876042 OBGORMDBZWGYKC-NSHDSACASA-N 312.377 1.214 0 40 DDAB Cc1ccc2oc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2n1 65624093 WWJJUJOMWAPIAL-AWEZNQCLSA-N 308.359 1.443 0 40 DDAB COc1cc2c(cc1OC)CN1C(=S)N(C3CC3)C(=O)[C@@H]1C2 4761232 ISOMRGOBRCPXAC-LBPRGKRZSA-N 318.398 1.720 0 40 DDAB C[C@@H](CC(=O)N1CCCN(c2cccnn2)CC1)n1cccc1 69947718 PKVBIGYFMNNIFK-HNNXBMFYSA-N 313.405 1.968 0 40 DDAB CN(C)c1nc(N)nc(CSc2ncnc3ccccc23)n1 8745679 QRRZIXOAPUYIBB-UHFFFAOYSA-N 313.390 1.755 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ccc3nncn3c2)cc1F 67172411 BBIQOQGHZGDLCU-UHFFFAOYSA-N 306.322 1.978 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C2CCOCC2)C1 67801323 STXKSKQKWJNTQE-ZDUSSCGKSA-N 312.410 1.929 0 40 DDAB C[C@H](CN(C)c1ccccc1)NC(=O)CCCn1cncn1 68443977 FMWHOASWBUXHHO-CQSZACIVSA-N 301.394 1.699 0 40 DDAB NC(=O)CN(C1CC1)S(=O)(=O)C1=Cc2ccccc2CC1 89857929 IQMBTCUGIBMJCX-UHFFFAOYSA-N 306.387 1.253 0 40 DDAB CCN1CCN(C(=O)N[C@@H]2CCCC[C@H]2[S@@](=O)CC)CC1 89977288 HWQSVPMTLDZXLM-ZMOMAAQPSA-N 315.483 1.413 0 40 DDAB CCN(CC)CCNC(=O)C(=O)Nc1cccc2ncccc12 9418324 DKXCGGJRESQKFY-UHFFFAOYSA-N 314.389 1.631 0 40 DDAB COC(=O)c1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)s1 89920435 PEWJCHZTMDVJQH-WCQYABFASA-N 322.430 1.835 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 71883100 IMKUJFMGVRTKSK-CMPLNLGQSA-N 319.386 1.870 0 40 DDAB CC1CCN(C[C@@H](O)CNC(=O)Cc2ccccc2O)CC1 72286650 AXLIHSYEZHYYKK-HNNXBMFYSA-N 306.406 1.144 0 40 DDAB Cc1ccc(CNC(=O)N2CCC(CC(=O)N(C)C)CC2)cn1 96500538 GZUMZERFGIXETJ-UHFFFAOYSA-N 318.421 1.790 0 40 DDAB CN(CCN1CCOCC1)C(=O)N[C@H]1CCc2ccccc2C1 72274299 NKOJCAMKOJHMGC-KRWDZBQOSA-N 317.433 1.518 0 40 DDAB CC(C)[C@H](NC(=O)Cn1ncc2ccccc21)C(=O)N(C)C 72270493 UFFPHLMFKNIYPD-HNNXBMFYSA-N 302.378 1.265 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@@H](n2cncn2)C1 75602548 YUAZPVWVXMBLAG-CYBMUJFWSA-N 315.381 1.124 0 40 DDAB COc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c(C)c1 76083390 AXIKEAKTXYEBNW-HNNXBMFYSA-N 320.433 1.826 0 40 DDAB O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCSc2c(F)cccc21 97597440 KSRVDMFANAXJNS-UWVGGRQHSA-N 323.349 1.077 0 40 DDAB CC(=O)Nc1ccc(O)c(C(=O)N2CCOC3(CCC3)C2)c1 95451973 WWJRTCNZLMHOJG-UHFFFAOYSA-N 304.346 1.746 0 40 DDAB CC(C)C[C@@H](NC(=O)C1CC=CC1)C(=O)N1CCC(CO)CC1 95976436 MUPOSUOFKMGTIF-MRXNPFEDSA-N 322.449 1.714 0 40 DDAB COC[C@H](O)CNC(=O)Cc1ccc(Br)cc1C 95995268 GYSGETKPKLTMEI-GFCCVEGCSA-N 316.195 1.424 0 40 DDAB Cc1ocnc1C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 95981847 UBIOVBNRIBQOMW-UHFFFAOYSA-N 311.345 1.822 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@H]2COC3(CCCCC3)O2)n1 95986977 BPQACRMNAAPTAI-AWEZNQCLSA-N 307.394 1.692 0 40 DDAB COc1cccc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)c1 89470001 HHDDSMPATITWNS-UHFFFAOYSA-N 312.369 1.845 0 40 DDAB O=C(Cc1ccn[nH]1)Nc1cnn(CCN2CCCCC2)c1 89433243 LQDOVHCWIUSLDB-UHFFFAOYSA-N 302.382 1.273 0 40 DDAB Cc1ccc(C(=O)NCc2ccccc2Cn2cncn2)c(=O)[nH]1 75118652 JBPSUWFOOIDQDT-UHFFFAOYSA-N 323.356 1.253 0 40 DDAB NC(=O)NC(=O)CCNC(=O)C1(c2cccc(Cl)c2)CC1 75108918 PPBXWLOGSWNVNZ-UHFFFAOYSA-N 309.753 1.073 0 40 DDAB O=C(N[C@H](C(=O)O)[C@@H](O)c1ccncc1)C1CCCCCC1 1548598645 FCSAPVDEQVJIHD-KBPBESRZSA-N 306.362 1.655 0 40 DDAB CCOC(=O)c1nn(CCF)cc1I 408717280 XYKJAQUKBZWMFK-UHFFFAOYSA-N 312.082 1.634 0 40 DDAB CC[C@](C)(CNC(=O)c1cc(C(C)=O)c[nH]1)N1CCOCC1 31927447 ZCLZWAPRIIVQFQ-MRXNPFEDSA-N 307.394 1.448 0 40 DDAB CC(C)C1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 516786767 FMWPYTVNMBRMHT-PFSRBDOWSA-N 322.453 1.155 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN1C(=O)c1cccnc1 72388603 FRBGHWIZIIMCNX-NSHDSACASA-N 320.374 1.186 0 40 DDAB Cc1ncn(CC(=O)NC[C@H]2COc3ccccc32)c(=O)c1C 675008062 TZJYEUQCKOATKG-ZDUSSCGKSA-N 313.357 1.153 0 40 DDAB Cn1nnnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 560344335 MQRJUOKLXLNLOD-IAQYHMDHSA-N 315.381 1.104 0 40 DDAB COC(=O)c1cc(S(N)(=O)=O)ccc1NC1CCCCC1 42623038 CCFPLJFSHRAQPV-UHFFFAOYSA-N 312.391 1.865 0 40 DDAB CC(C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944682 KORRSMYLFSWZBQ-GFCCVEGCSA-N 302.371 1.331 0 40 DDAB O=C(c1[nH]nc(C2CC2)c1Br)N1CCOCC1 49167900 PXRGDRBNLAKGEU-UHFFFAOYSA-N 300.156 1.522 0 40 DDAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC)CC2=O)cc1 45953156 WPMCNJZTEWQFJP-GFCCVEGCSA-N 305.330 1.779 0 40 DDAB C[C@H]1CN(Cc2nnc(-c3cc4ccccn4n3)o2)C[C@H](C)O1 40714573 JRZURMSVLGZKJG-RYUDHWBXSA-N 313.361 1.994 0 40 DDAB CN1C(=O)c2ccccc2O[C@H]2CN(C3CCOCC3)C[C@H]21 514289376 JFSJMRCZEVSNIS-ZBFHGGJFSA-N 302.374 1.383 0 40 DDAB biogenic,in-vitro COC[C@@H]1CCC2(CCN(S(C)(=O)=O)CC2)N1CC1CC1 96208690 UXLRKJRMJVLSCU-AWEZNQCLSA-N 316.467 1.301 0 40 DDAB c1cc(-c2nnn3c2COC[C@H](CNC2CCOCC2)C3)co1 96045664 ZIRKKALXARISAF-GFCCVEGCSA-N 318.377 1.453 0 40 DDAB O=S(=O)(C1CC1)N1CCc2c(COCC3CC3)cncc2C1 96189419 DKBLGXAMWFWRSZ-UHFFFAOYSA-N 322.430 1.859 0 40 DDAB CC(=O)NCc1cccc(CNC(=O)[C@H](O)c2ccccc2)c1 95450496 GNDZJHNMACEPOL-QGZVFWFLSA-N 312.369 1.673 0 40 DDAB O=C(NCc1ccon1)N1CCO[C@@H](Cc2ccccc2)C1 96494015 YRONKJOQLCEHHW-HNNXBMFYSA-N 301.346 1.828 0 40 DDAB O=C(C1CC1)N1CCc2ccc(=O)n(Cc3cccnc3)c2CC1 96196716 YAWSYGPNKKBVPT-UHFFFAOYSA-N 323.396 1.629 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cnccn3)CC2)oc1C 330395219 ABYMINQTOXRIRQ-UHFFFAOYSA-N 301.350 1.039 0 40 DDAB COc1cc(N2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)ncn1 96046189 AUESFRIWLNSKAU-QJPTWQEYSA-N 317.349 1.533 0 40 DDAB COC[C@H]1CN(CC2CCOCC2)Cc2nnn(CC3CC3)c21 96060901 UBFOADKTNBYVRW-OAHLLOKOSA-N 320.437 1.660 0 40 DDAB CC(C)c1cc(CNC(=O)NC[C@](C)(O)c2cnn(C)c2)on1 96421574 RLGWGQNXORNUMK-HNNXBMFYSA-N 321.381 1.238 0 40 DDAB O=C(NC1CC1)N1CCO[C@@]2(CCCN(c3ncccn3)C2)C1 96226480 FULDXUACDRAKHE-MRXNPFEDSA-N 317.393 1.020 0 40 DDAB Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)C(=O)N(C)C)c1 96408474 ISTYBIMDCFXWTP-ZDUSSCGKSA-N 303.406 1.802 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccco1 96045346 CKAYMNFDTRYWFQ-CYBMUJFWSA-N 316.361 1.667 0 40 DDAB CCc1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)no1 257335527 YKOATWRTHWSKJQ-HUUCEWRRSA-N 320.320 1.640 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccccc2)n1 257206469 BDPIPBPINVDJOV-CYBMUJFWSA-N 307.375 1.480 0 40 DDAB Cc1cccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)c1C 256047907 PHEZFTMMVIGRNK-UHFFFAOYSA-N 315.377 1.334 0 40 DDAB NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)c1cc2cccc(F)c2[nH]1 257246365 ITUJDSJATUPXID-MNOVXSKESA-N 318.352 1.114 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 257305212 SOXSBZGNHLFOFH-AWEZNQCLSA-N 318.421 1.795 0 40 DDAB Cc1ccc(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)cc1F 257250770 JNXNYUKQVWOHSH-KRWDZBQOSA-N 322.380 1.043 0 40 DDAB O=C(c1cccs1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257266643 MDVWRFQWZPYLAK-LBPRGKRZSA-N 319.386 1.718 0 40 DDAB CCn1nccc1-c1cncc([C@H]2CCCN2C(=O)COC)n1 257301584 RZBDFVUQIMLKOA-CQSZACIVSA-N 315.377 1.670 0 40 DDAB O=C(Cc1cccs1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828388 QYCGOMDWZXCAMT-LLVKDONJSA-N 307.350 1.900 0 40 DDAB COc1nc(CNC(=O)Nc2cccc(C)c2C)nc(OC)n1 575603629 HDSOBTKIKIOHDH-UHFFFAOYSA-N 317.349 1.827 0 40 DDAB c1cc2n(n1)[C@H](CCN1CCCC1)CN(C1CCOCC1)C2 585111937 DWTOMXRXJVGAAK-QGZVFWFLSA-N 304.438 1.905 0 40 DDAB COC[C@H]1CCn2nccc2CN1C(=O)c1cnc(C)cn1 585096845 DPSWWTPSKVYVRV-CYBMUJFWSA-N 301.350 1.043 0 40 DDAB C[C@@H]1Cc2nnc(COCC3CC3)n2CCN1Cc1cn[nH]c1 585097327 IVCCJSGWIROGQL-GFCCVEGCSA-N 316.409 1.375 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 44938420 OJPVVZABDUYLHU-SNVBAGLBSA-N 313.375 1.070 0 40 DDAB COc1ccc([C@@H](C)NC(=O)NCc2cc[nH]n2)c(OC)c1 48260379 HGLGVRFCQPHPOZ-SNVBAGLBSA-N 304.350 1.987 0 40 DDAB CC(=O)NCCNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 57213327 RWGBIRJUGUUEJA-UHFFFAOYSA-N 324.808 1.641 0 40 DDAB Cc1nc2ccccc2nc1CN1CCC[C@@H](CNC(N)=O)C1 58316960 WAYQJMSAOUSXOT-ZDUSSCGKSA-N 313.405 1.819 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 72235516 PJYBRZZNIYYROG-OAHLLOKOSA-N 316.409 1.425 0 40 DDAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(F)cc1 5040479 KESYIIVILWDRBQ-QMMMGPOBSA-N 304.281 1.382 0 40 DDAB CCCC[C@H](CC)CN(CP(=O)(O)O)CP(=O)(O)O 5421127 VCBDDOWPXBJZFB-JTQLQIEISA-N 317.259 1.775 0 40 DDAB O=C1c2ccccc2C(=O)N1[C@@H]1Cc2nc3ccccc3n2C1=O 5479028 HODZCEVLJZMWHD-CQSZACIVSA-N 317.304 1.897 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccncc1 17586181 PSSMYLZHHBWMTJ-JTQLQIEISA-N 323.349 1.526 0 40 DDAB CCOc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)cc1OC 19533707 SQNBRMTXJLAEGL-NUEKZKHPSA-N 320.433 1.733 0 40 DDAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccno2)C1 225502007 KYTVBWBQBLIPIQ-NSHDSACASA-N 317.349 1.214 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncncc2F)nn1 1888843445 RZBIXKKLMGYBTO-FUNVUKJBSA-N 318.356 1.726 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nc3ccc(F)cc3s2)CCO1 1889108486 SYFRWOMTMCZUTO-LBPRGKRZSA-N 321.377 1.919 0 40 DDAB CNC(=O)Cc1csc(NC(=O)c2ncc(C)cc2F)n1 1889130431 ZFKFFAHFGBDPOV-UHFFFAOYSA-N 308.338 1.526 0 40 DDAB Oc1cc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc(O)n1 1776001858 OKFBDEXQICCSNH-ZIAGYGMSSA-N 312.373 1.456 0 40 DDAB Cc1cc(CCNC(=O)c2cc3ccccc3oc2=O)nn1C 245171811 XWFWDSGYJNTDCA-UHFFFAOYSA-N 311.341 1.807 0 40 DDAB COc1c(C)cccc1CN1CC[C@]2(COCC(=O)N(C)C2)C1 2037983703 CQZSJMXVOGPCAX-GOSISDBHSA-N 318.417 1.684 0 40 DDAB c1cnc(N2CC[C@H]3C[C@@H](CN4CCCOCC4)O[C@H]3C2)nc1 2056225480 NWVAEFYOVDRBSL-JYJNAYRXSA-N 318.421 1.183 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)C3(F)CCC3)C2)C1=O 1565546563 HFOCFBUIWGULNO-OAHLLOKOSA-N 312.385 1.366 0 40 DDAB NC(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O 5388338 OFESBPXPRMBISJ-UHFFFAOYSA-N 308.135 1.158 0 40 DDAB O=c1nc(SCc2cccnc2)c2c(n1CCO)CCCC2 10256681 FPDMWPZGXLNIND-UHFFFAOYSA-N 317.414 1.802 0 40 DDAB O=C(Cc1cccs1)NCc1nnnn1-c1cccc(F)c1 10593632 NHJZQGVOTMHKJH-UHFFFAOYSA-N 317.349 1.722 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@H](NCCN(C)C)C(=O)O)c1 22592698 FWRCEBFTJGGOAV-AWEZNQCLSA-N 307.394 1.236 0 40 DDAB Cc1ccccc1CCC(=O)N1CC(N2C(=O)CSC2=O)C1 217744856 PTZCUXRTEGCOEW-UHFFFAOYSA-N 318.398 1.834 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccncc1F)C2 618257364 UYVMTDOHBBQZLS-LLVKDONJSA-N 315.352 1.364 0 40 DDAB COc1ccc(Br)cc1C[C@H](NC(C)=O)C(=O)O 69552811 JYSIQVOCFJBUOK-JTQLQIEISA-N 316.151 1.590 0 40 DDAB CSc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccoc2)c1 75171961 XJMDBYJRFIUHFN-CYBMUJFWSA-N 320.370 1.790 0 40 DDAB Cn1cc(C[C@@H]2CC(=O)N(Cc3cccc(F)c3F)C2=O)cn1 102703634 LIAVEIPDELTODU-GFCCVEGCSA-N 319.311 1.816 0 40 DDAB CC1(C)CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCO1 30196198 OVIQWPNJOWHCEE-UHFFFAOYSA-N 307.781 1.959 0 40 DDAB C[C@H]1COCCN1S(=O)(=O)c1ccc(F)c2ncccc12 30337918 ZSFKCNVXOZZOJP-JTQLQIEISA-N 310.350 1.783 0 40 DDAB CC(C)OCCN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 40460707 UTIUZFWIZLAANI-MRXNPFEDSA-N 304.346 1.641 0 40 DDAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 40457454 NXPNUEVYWFKSDX-CYBMUJFWSA-N 321.421 1.332 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC=C(c2ccccc2)CC1 40476346 BTGZLARAVZHXDA-HNNXBMFYSA-N 320.414 1.672 0 40 DDAB CCN1CCN(c2ccc(CNC(=O)c3ccoc3)cn2)CC1 40541128 CVZNEBFIXHVHKI-UHFFFAOYSA-N 314.389 1.747 0 40 DDAB C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)N(C)C 40540955 DCKKJMPOXQGGBU-MRVPVSSYSA-N 319.283 1.229 0 40 DDAB NC(=O)c1cc(-c2csc(NC(=O)COCC3CC3)n2)c[nH]1 40535485 MXJGUQZIVJDSLH-UHFFFAOYSA-N 320.374 1.602 0 40 DDAB Cc1csc(NC(=O)c2ccc(-n3cnnn3)c(C)c2)n1 40511952 TVLLHXVGCXTGNG-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 29197367 LVBJWWGDGLYPMC-QMMMGPOBSA-N 306.771 1.087 0 40 DDAB CCn1nnnc1SCC(=O)NCc1ccc(OC)cc1 410553 DEHGTGLVHXMBGM-UHFFFAOYSA-N 307.379 1.110 0 40 DDAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)C(=O)N(C)C 69520736 ZGKLXTUYWMURQG-SECBINFHSA-N 321.402 1.847 0 40 DDAB COC(=O)CCNC(=O)c1nnn(-c2ccccc2Cl)c1C 69616055 UYAAZPAHWSMXCA-UHFFFAOYSA-N 322.752 1.522 0 40 DDAB CCc1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 11773570 QHMFYLMEZPPUOW-JXMROGBWSA-N 313.357 1.298 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29670920 PKWPTWTVKJJZOW-GFCCVEGCSA-N 318.373 1.746 0 40 DDAB C[C@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 21323651 KPYYUDAESJZIMF-STQMWFEESA-N 312.435 1.546 0 40 DDAB Cc1ccc([C@H](O)CN2CCN(C(=O)N(C)C)CC2)cc1C 67964260 HRCFGDVECVLDHJ-MRXNPFEDSA-N 305.422 1.636 0 40 DDAB CCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 544845 JQVRWDKAQRLYQE-UHFFFAOYSA-N 308.389 1.957 0 40 DDAB NC1=N[C@](O)(c2ccccc2)[C@@H](NC(=O)c2ccccc2)S1 523874 ASLFRGULYHGHOP-HOCLYGCPSA-N 313.382 1.649 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCN(CCO)CC1 42287289 AADXXCSMXWTSGT-CVEARBPZSA-N 319.449 1.171 0 40 DDAB CCc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1 806834 PNHJCROIIQEMEE-GFCCVEGCSA-N 317.414 1.821 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)CCn2cncn2)c1 23748448 GMTMAHWYMIUEBA-NSHDSACASA-N 304.350 1.563 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCCCNc2ncccn2)c1C 42757431 WEDSFLLXTMMSAW-UHFFFAOYSA-N 315.377 1.856 0 40 DDAB COC(=O)[C@@H](NCC(=O)NCc1ccc(Cl)cc1)C(C)C 34863181 YHPKBXHPTHGECF-AWEZNQCLSA-N 312.797 1.743 0 40 DDAB C[C@@H](C(=O)NCCOc1ccc2c(c1)CCC2)n1cncn1 56009761 SKRGACXPXUJSNQ-LBPRGKRZSA-N 300.362 1.523 0 40 DDAB O=C(c1ccno1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 107199417 KYDBRHKQCJZROU-UONOGXRCSA-N 305.378 1.390 0 40 DDAB O=C1CC[C@H](C(=O)N[C@@H]2CCc3c(Br)cccc32)N1 68192499 CEXRPQMIJPNNMB-VXGBXAGGSA-N 323.190 1.831 0 40 DDAB COc1ccc(-n2cc(C(=O)NCCCOC(C)C)nn2)cc1 57511652 HHGJASHBQUCTDF-UHFFFAOYSA-N 318.377 1.821 0 40 DDAB COc1cc(CN2CCN(CCO)CC2)ccc1OC(F)F 58007693 DHYAKCIRMOBTJQ-UHFFFAOYSA-N 316.348 1.407 0 40 DDAB COc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409376234 WFCJKVPGEVLGLL-LMOYCYGVSA-N 303.314 1.678 0 40 DDAB CN(C)[C@H](CNC(=O)C1CCN(C(N)=O)CC1)c1cccs1 47872495 PFUWNWPSEZEGHK-GFCCVEGCSA-N 324.450 1.258 0 40 DDAB Cc1nnc(NC(=O)CN2C(=O)CCOc3ccccc32)s1 44870182 DXJWNTXXZAIEEJ-UHFFFAOYSA-N 318.358 1.601 0 40 DDAB COCCn1cc(NC(=O)NCCCCCC(=O)OC)cn1 58214183 ITYVPAFXNYWWLB-UHFFFAOYSA-N 312.370 1.384 0 40 DDAB Cc1cc(-c2nnn(CC(=O)Nc3nccs3)n2)ccc1F 58264009 KQYUMFRRIZKXBA-UHFFFAOYSA-N 318.337 1.883 0 40 DDAB Cc1csc(CNC(=O)c2cccc(N3CCNC3=O)c2)n1 44936746 XQISTQVYYMLCFP-UHFFFAOYSA-N 316.386 1.911 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1CCC[C@H](C)C1 44937474 FAWUFAZRGPXZNL-JTQLQIEISA-N 301.412 1.302 0 40 DDAB C[C@H](NC(=O)Nc1cccnc1-n1cccn1)[C@@H]1CCCO1 44952249 WZEUZORANMBKIX-AAEUAGOBSA-N 301.350 1.956 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H]1Cc2ccccc2O1 58392622 QAOJSLHNXIZMHA-AWEZNQCLSA-N 300.406 1.888 0 40 DDAB Cc1nn(C)c(C)c1C(=O)OCc1cc(=O)n2ccccc2n1 10954808 QQTDOMPZFABSGT-UHFFFAOYSA-N 312.329 1.402 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccco2)c1 48375487 POGSYNHBMCDFGR-AWEZNQCLSA-N 320.345 1.830 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1cc[nH]n1 48303690 TZHBUOBTPJBNKH-CYBMUJFWSA-N 316.361 1.781 0 40 DDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1 12800751 ZAKACTMMPPLEIR-UHFFFAOYSA-N 309.325 1.719 0 40 DDAB COc1ccc(SCC(=O)NCCCN(C)C)cc1OC 20111478 UNXRHJFRZYEFDK-UHFFFAOYSA-N 312.435 1.864 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(O)c1 3494787 FHTNROTTYQNRSF-RYUDHWBXSA-N 307.346 1.493 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505409 CCSUMMABWXVFHW-OLZOCXBDSA-N 321.421 1.936 0 40 DDAB Cc1nc2ncnn2c(C)c1CC(=O)NCCc1cccs1 12939227 FBBZCJLPPPLUIL-UHFFFAOYSA-N 315.402 1.704 0 40 DDAB CNC(=O)NC(=O)CCSc1nnc(NC2CC2)s1 12918855 MRNVMNYPDJUMCB-UHFFFAOYSA-N 301.397 1.050 0 40 DDAB O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccccc1 7916356 JXPNFCISVQPOIG-UHFFFAOYSA-N 303.749 1.781 0 40 DDAB CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1CC 13096075 RVUIMQMPHKSOFO-VXGBXAGGSA-N 309.410 1.769 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N(C)Cc1ccc(C)o1)CC2 69976548 GCZQZGWIIPSMQF-ZDUSSCGKSA-N 317.393 1.051 0 40 DDAB O=C(CNc1cccc(F)c1)N1CC[C@](O)(C(F)(F)F)C1 81442947 DXBWPDVJAXVLCB-GFCCVEGCSA-N 306.259 1.763 0 40 DDAB COc1ncccc1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69771721 LVZBFGIGXQPQID-CQSZACIVSA-N 321.421 1.255 0 40 DDAB C[C@@H](C(=O)Nc1ccc(F)c(-n2cccc2)c1)S(C)(=O)=O 69702482 RBCNTIVSBDXZJD-JTQLQIEISA-N 310.350 1.988 0 40 DDAB COCCCNC(=O)[C@H](C)[S@](=O)Cc1cccc(OC)c1 64809958 YBYZFFLJROICCA-QKVFXAPYSA-N 313.419 1.485 0 40 DDAB CC(C)CCNC(=O)COCC(=O)N1CCc2ccccc2C1 13942252 GTOSDORUKXIIDC-UHFFFAOYSA-N 318.417 1.750 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O 65575851 XNYVNYSGLHWTOK-OAHLLOKOSA-N 316.357 1.373 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1ccc2c(c1)OCCCO2 6436832 IYNALFNDACWRCU-SECBINFHSA-N 310.375 1.784 0 40 DDAB C[C@H](O)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5426499 LMFZAWXLAJFKLM-ZUZCIYMTSA-N 304.346 1.441 0 40 DDAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 4671287 GRCYBILJJACYPP-SNVBAGLBSA-N 307.730 1.717 0 40 DDAB Nc1nc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n[nH]1 8292544 YYNLGGDBMDOPAU-NSHDSACASA-N 303.391 1.843 0 40 DDAB O=C(OCC(=O)N1CCCC1=O)c1cccc(-n2cccc2)c1 6830673 YDAVAPVERSQHFL-UHFFFAOYSA-N 312.325 1.783 0 40 DDAB O=C(NCCN1CCOCC1)N[C@@H](c1ccc(F)cc1)C1CC1 69808591 FVSCDLLWTGKFPZ-MRXNPFEDSA-N 321.396 1.908 0 40 DDAB Cn1ccnc1CNc1ccc(CCN2CCOCC2)cc1 80194938 XGQRBCNSJSGDOU-UHFFFAOYSA-N 300.406 1.907 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1 8884252 QCGJPIPBFOLBGJ-LLVKDONJSA-N 302.783 1.703 0 40 DDAB CN1C(=O)CN(NC(=O)Nc2cc(Cl)ccc2F)C1=O 96006809 QLIBSOXITPPHTL-UHFFFAOYSA-N 300.677 1.410 0 40 DDAB O=S(=O)(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)C1CC1 96000667 JBGAUCDFLCMNRK-GFCCVEGCSA-N 318.402 1.342 0 40 DDAB COc1ccc(C(=O)O[C@H](C)CN2CCN(C)CC2)cc1OC 19720253 JCTYMVKSQDZVTE-CYBMUJFWSA-N 322.405 1.497 0 40 DDAB CCc1nc([C@@H]2CCCN2Cc2nc(CCOC)no2)no1 72271008 WVRMMJFDPMTLNY-JTQLQIEISA-N 307.354 1.541 0 40 DDAB CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cc(C)cn1 71869925 CCEUMVJXBCRJPS-UONOGXRCSA-N 321.425 1.410 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@H](N2CCNC2=O)C1 71841657 TYSNTHBOHWTVNB-RWMBFGLXSA-N 303.362 1.399 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 83829957 VEZYAIBWQPVWPN-SECBINFHSA-N 307.379 1.346 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1 83829984 DCKBLTQASHYYBO-GFCCVEGCSA-N 317.349 1.446 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)C1 89920259 CDQCXLQYFXHYAG-CRTZDJKQSA-N 322.496 1.052 0 40 DDAB Cc1cc(C)n(CCOc2ccc(S(=O)(=O)N(C)C)cc2)n1 97082527 XUWSQWNVUKQAKC-UHFFFAOYSA-N 323.418 1.829 0 40 DDAB O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCSCC1 84590786 QVMIEGRHKUZLCX-UHFFFAOYSA-N 303.387 1.787 0 40 DDAB CCOC[C@H](O)CN1CCN([C@@H](C)c2ccccc2OC)CC1 95396837 FGRPGGYSDNDAOB-JKSUJKDBSA-N 322.449 1.771 0 40 DDAB CC(C)C[C@@H]1COCCN1CCn1nc2ccccn2c1=O 72978508 LZKKPBJTFGHEOL-CQSZACIVSA-N 304.394 1.243 0 40 DDAB NC(=O)[C@@H](Nc1ncnc2c1oc1ccccc12)[C@@H]1CCOC1 95452101 DZUAQUFSODOUEM-SKDRFNHKSA-N 312.329 1.678 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H](C)n3ccnc3)CCO2)n1 78889408 BXFGTCAXIBQJLP-NWDGAFQWSA-N 318.381 1.286 0 40 DDAB CCc1cnc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)o1 78967496 QDGVSTLRBMEHDH-UHFFFAOYSA-N 322.328 1.576 0 40 DDAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C)cc1 95776734 KDICPVVWHKVHMD-UHFFFAOYSA-N 323.356 1.199 0 40 DDAB Cc1noc(CCCOc2cccc(C(=O)NC[C@@H](C)O)c2)n1 79112097 CUZSGBOJAQTFEZ-LLVKDONJSA-N 319.361 1.500 0 40 DDAB Cc1cc(C)c(CNC(=O)Cn2nc(C)c(Cl)c2C)c(=O)[nH]1 75121473 KUWKMBYUIYMISN-UHFFFAOYSA-N 322.796 1.775 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2CC(=O)Nc2nncs2)c1 75131909 VRDUSGQSDYHVDF-GFCCVEGCSA-N 320.422 1.536 0 40 DDAB Cc1cc(=O)oc2ccn(C[C@H](O)c3ccc(O)cc3)c(=O)c12 1547138270 DSVQLPHMXCRBCC-ZDUSSCGKSA-N 313.309 1.702 0 40 DDAB biogenic CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC)cc1C 30435969 USZRQMKARNAPBI-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB CN1CCN(C(=O)CSc2nncc3ccccc23)CC1 33940548 LBGXGQOGMVMZIT-UHFFFAOYSA-N 302.403 1.496 0 40 DDAB CCCCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O 123754313 CFWICLBPQYDZAY-UHFFFAOYSA-N 312.435 1.755 0 40 DDAB NC(=O)CCc1cccc(C2CCN(c3ncccn3)CC2)n1 72360507 DUYFGLOEACBVQJ-UHFFFAOYSA-N 311.389 1.674 0 40 DDAB CCN([C@H]1CCOC(C)(C)C1)S(=O)(=O)Cc1ccon1 329474477 ZXFUFEOBUPRWEG-LBPRGKRZSA-N 302.396 1.784 0 40 DDAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)nc1 41904913 ATPJNGYTDBRQGB-AWEZNQCLSA-N 308.345 1.799 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2cccnc2C)C1 225388504 NOXMRABOUZCDSO-GFCCVEGCSA-N 314.345 1.482 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccco2)cc1F 77112193 WRUWLSCQPKUDBR-ZDUSSCGKSA-N 320.320 1.906 0 40 DDAB O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@@H]1CCCOC1 80084346 IZIRAUZCISPRFZ-GFCCVEGCSA-N 301.346 1.193 0 40 DDAB CC(=O)N1CCOC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 96049907 POXBKWYBMGTYMX-KRWDZBQOSA-N 322.380 1.275 0 40 DDAB Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)no1 96038686 ZZFCCSUYDCAZAV-NVXWUHKLSA-N 319.405 1.490 0 40 DDAB C[C@H](NC(=O)c1cc[nH]n1)c1ccc(S(C)(=O)=O)c(F)c1 96425836 IDLNPQSPYBIVOJ-QMMMGPOBSA-N 311.338 1.443 0 40 DDAB CN(C)c1cccc([C@@H]2CCCN2C(=O)Cn2cnnn2)c1 96410179 XUDWAMMQXPBBRM-AWEZNQCLSA-N 300.366 1.103 0 40 DDAB COCCN1CCN(CCN2CCCC2)Cc2cccnc21 96069187 OKBOUIUIANQATE-UHFFFAOYSA-N 304.438 1.446 0 40 DDAB CCC[C@@H](NC(=O)c1coc(Br)c1)c1nnn[nH]1 96466448 SJIISYWGEXFPMD-SSDOTTSWSA-N 314.143 1.826 0 40 DDAB Cc1nc([C@@H]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3O2)no1 96070492 UPRVNBGMSPJHKS-WCFLWFBJSA-N 302.334 1.319 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3ccc[nH]3)C2)C1=O 96224029 NHAQRLXNAXMCHK-INIZCTEOSA-N 305.378 1.116 0 40 DDAB CCOCC(=O)N1CCc2c(COCC3CC3)cncc2C1 96189416 WRNYEHQLNFJDMS-UHFFFAOYSA-N 304.390 1.929 0 40 DDAB CC(C)(C)OC[C@H](O)CN1CCC[C@H]1C(=O)NCc1ccco1 245316833 KTHOPKOXOHTAKG-HIFRSBDPSA-N 324.421 1.536 0 40 DDAB Cn1nccc1CCC(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257221811 DQPXYOMHSHXSTF-LBPRGKRZSA-N 315.377 1.255 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccc1 257257634 KQMHHPGEXLVALZ-KRWDZBQOSA-N 310.357 1.354 0 40 DDAB CCN1CCC(N2CCOC[C@@H](Cc3ccncn3)C2)CC1 257327034 WZPFIMJXJXDOGF-HNNXBMFYSA-N 304.438 1.452 0 40 DDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nccc(C)n2)C1 257248165 JCKDNEZBOUGRMO-LLVKDONJSA-N 319.390 1.413 0 40 DDAB CCN[C@H]1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1 257243211 IFXDSHFEJUEFTJ-HNNXBMFYSA-N 303.406 1.845 0 40 DDAB O=C(c1cccnn1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257200485 ADNOMMRUQHDQJS-CYBMUJFWSA-N 324.344 1.592 0 40 DDAB CC(=O)N1CCC[C@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 257264919 LWNKGJHIPLBCIJ-LBPRGKRZSA-N 318.377 1.938 0 40 DDAB CNCC(=O)N1CCC2(CC1)CO[C@H](Cc1ccc(F)cc1)C2 257341001 ZIKPBKNLOYFHBW-MRXNPFEDSA-N 320.408 1.985 0 40 DDAB O=C(Cc1ccsc1)N1CCOC[C@@H]1CCc1cnccn1 257232327 GKKMHXNLDZTDTJ-HNNXBMFYSA-N 317.414 1.941 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257230639 GDEPZXJVFIHZIG-LLVKDONJSA-N 320.374 1.146 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2cccnc2-c2cncs2)C1 257335620 YLBYHGFNWZJKAQ-JTQLQIEISA-N 316.386 1.543 0 40 DDAB O=C(c1cc2c(nc1O)CCCCC2)N1CC[C@@](F)(C(=O)O)C1 262864849 WZPSHUMJMPSHOA-INIZCTEOSA-N 322.336 1.695 0 40 DDAB O=C(c1cnc[nH]1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585274932 RUFMDRHFHKJTNZ-GJZGRUSLSA-N 303.337 1.757 0 40 DDAB CN(C)C[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 585095379 SZSMJHUMFSHUAO-AWEZNQCLSA-N 300.362 1.347 0 40 DDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)N(C)C)[C@@H]3OCC[C@H]32)cc1 585108899 CMPMSWXLWLGNIS-UXLLHSPISA-N 316.401 1.242 0 40 DDAB O=C(CN1CCC[C@@H](NC(=O)C2CC2)C1)NC1CCCCC1 1006519916 HEZGXMQGEPFCDJ-OAHLLOKOSA-N 307.438 1.426 0 40 DDAB O=C(Nc1cncnc1N1CCCC1)c1ccc(C(=O)O)nc1 680628716 YQKMOIUDGULCEM-UHFFFAOYSA-N 313.317 1.422 0 40 DDAB CCc1nnsc1C(=O)NCc1cn2c(C)cccc2n1 68571472 DOYHXYHMAIDUQE-UHFFFAOYSA-N 301.375 1.987 0 40 DDAB C[C@H](NC(=O)CN1CCO[C@H](Cn2cccn2)C1)c1ccco1 69372662 NCZISHPKVZKJSE-KBPBESRZSA-N 318.377 1.054 0 40 DDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](n2ccnc2)C1 69770591 OSVBCDGYJMOWCS-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cccn2)ccn1 79015827 JOIRMZJFQZXHJC-CHWSQXEVSA-N 313.361 1.041 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 96098083 WJEATBRQBWJBFQ-NSHDSACASA-N 321.320 1.965 0 40 DDAB Cc1cccc(OC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)n1 96119547 ARALLBWDYNLYEN-CYBMUJFWSA-N 317.389 1.238 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1ccc(-n2cccn2)cc1 97033289 WFZFHKTZNFPJFU-HZPDHXFCSA-N 319.430 1.928 0 40 DDAB COCc1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc1 5254132 RDIWJNRIUVJTFF-UHFFFAOYSA-N 308.334 1.224 0 40 DDAB CCc1ccc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)cc1 13986193 ALKOMNMVOJOZIY-ZDUSSCGKSA-N 303.362 1.196 0 40 DDAB O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1cccc(F)c1 17055215 YULRTCJYJAVAKG-HIFRSBDPSA-N 320.364 1.695 0 40 DDAB Cc1nc(-c2cncnc2[C@H]2CN(CC3CC3)CCO2)no1 19693687 MZUIHFVVVNBMQE-CYBMUJFWSA-N 301.350 1.618 0 40 DDAB CCCSCC(=O)N1CCN(Cc2noc(CC)n2)CC1 78777109 AYCKGHRZIJASHS-UHFFFAOYSA-N 312.439 1.419 0 40 DDAB CCCCNC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1 29588907 SFWHQTVJUWOYMH-UHFFFAOYSA-N 311.817 1.845 0 40 DDAB Cc1nc2ccccc2n1C1CN(c2cc(=O)n(C)c(O)n2)C1 1776008776 MUWZSEAZMZXVJE-UHFFFAOYSA-N 311.345 1.205 0 40 DDAB COCCN1CC[C@]2(CN(C(=O)C3CC(C)C3)C[C@H]2C)C1=O 1614930506 FBIOZIKACJAIIQ-NHMAURGWSA-N 308.422 1.376 0 40 DDAB Cc1ccccc1OCC(=O)NCc1n[nH]c(=O)c2ccccc12 4317494 RBLRZRDQOCIMDF-UHFFFAOYSA-N 323.352 1.927 0 40 DDAB CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152839 WWQDPWGZIYFFJH-CQSZACIVSA-N 313.357 1.246 0 40 DDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(Cc2ccccn2)C1 2055772423 HLGQNRZDBTXWSN-QGZVFWFLSA-N 313.405 1.358 0 40 DDAB O=C(c1ccco1)N1CCN(C[C@H](O)c2cccs2)CC1 30148241 HUCJFXOWKUAAIB-LBPRGKRZSA-N 306.387 1.833 0 40 DDAB CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 13605976 MLPSDBJCWIYSEA-UHFFFAOYSA-N 301.323 1.423 0 40 DDAB O=C(NCCCn1cccn1)c1cncc(Br)c1 30170826 LJGBWJSMYUXIAU-UHFFFAOYSA-N 309.167 1.861 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NOCc2ccccc2)o1 31616614 UBJLIJLWBHLQMX-UHFFFAOYSA-N 310.331 1.049 0 40 DDAB CC(=O)N1CCC(NC(=O)CCOc2cccc(F)c2)CC1 40510399 HKIABXDZSFUOKJ-UHFFFAOYSA-N 308.353 1.722 0 40 DDAB O=C1[C@H]2ON3CCCC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 100915231 DCKWXMCHZLHISR-UPJWGTAASA-N 306.749 1.998 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 29207092 WKBSBGUAUUJLSQ-SNVBAGLBSA-N 318.345 1.119 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)NCCCn1cccn1 45936198 JHPUKHPPSQQATB-UHFFFAOYSA-N 301.272 1.305 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(O)CC2)c1 16338327 UKLVQAIQLINSMY-NSHDSACASA-N 308.378 1.488 0 40 DDAB CC(=O)c1c[nH]c(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c1 11760406 WNBFKLKITSIIDH-ZDUSSCGKSA-N 304.277 1.740 0 40 DDAB CC(=O)O[C@@H]1C=CN(C(C)=O)[C@@H](SC(C)(C)C)[C@]1(C)O 1565629 YNKFHIBMGWWPCE-MBNYWOFBSA-N 301.408 1.903 0 40 DDAB O=C1CC[C@@H](C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)CN1 51568683 CUFCXCXRMLHERF-UDMGLPGGSA-N 319.401 1.841 0 40 DDAB Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c(Cl)c1 3352676 IARHPQXWUMOYHT-UHFFFAOYSA-N 309.797 1.784 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 60126849 UZQNEIJHFZKOGJ-AWEZNQCLSA-N 308.341 1.389 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCC1)C(C)C 6432285 MZLSXDXRTFGYQK-GOEBONIOSA-N 321.421 1.693 0 40 DDAB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 6960519 LITOSOORFNAVIX-WQLSENKSSA-N 313.313 1.199 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2nnsc2Cl)c2ccccc2O1 32764739 BVVQHDHOBBAIOP-NSHDSACASA-N 324.793 1.705 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 41126098 GUTSGKBGNQHLLE-ZCFIWIBFSA-N 303.181 1.458 0 40 DDAB CN(CCCNC(=O)c1ccc(Cl)s1)S(C)(=O)=O 32915143 DXBKCHZCWZGNKN-UHFFFAOYSA-N 310.828 1.413 0 40 DDAB Cc1nc2cc(NC(=O)CSc3nncn3C)ccc2[nH]1 12324068 SHRIQQOLNBQCLN-UHFFFAOYSA-N 302.363 1.731 0 40 DDAB O=C1O[C@@H]2C[C@@H]1N(C(=O)CSc1nc3ccccc3s1)C2 101452739 WAJVHPLTTKEGSS-SCZZXKLOSA-N 320.395 1.915 0 40 DDAB CCCCOC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 103122149 NOADGSFFXCNYIO-SNVBAGLBSA-N 302.371 1.489 0 40 DDAB CCNCCNS(=O)(=O)c1ccc(Br)c(C)c1 54266234 JXGMPFJTVYJVSR-UHFFFAOYSA-N 321.240 1.645 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccncc2)cc1 42678538 ROKNJOGHKNDHRC-UHFFFAOYSA-N 320.370 1.689 0 40 DDAB C[C@@H]1COCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 47508584 GJMKRTORONHVSB-SNVBAGLBSA-N 306.387 1.982 0 40 DDAB CCCCn1c(=O)c2sccc2n(CC(=O)NCCC)c1=O 57427288 PGFDLSREHGKLKJ-UHFFFAOYSA-N 323.418 1.551 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CC[C@@H]2CCCC[C@@H]2C1 55077519 JMZJFNZJLQQISL-QWHCGFSZSA-N 303.410 1.946 0 40 DDAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 20017077 PSBYWYAVNYFBFK-LLVKDONJSA-N 314.382 1.744 0 40 DDAB CCn1cc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cn1 43646158 XXEQFDRCXCIEGC-CQSZACIVSA-N 309.414 1.381 0 40 DDAB COC[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 56921775 BJBPPRHZBLCMLW-LBPRGKRZSA-N 301.350 1.161 0 40 DDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC2CC2)C1=O 26207089 YDVCKOCPVHTPJP-INIZCTEOSA-N 319.336 1.119 0 40 DDAB O=C(c1ccoc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26935233 KTIXWJADXOYVGR-UHFFFAOYSA-N 314.341 1.966 0 40 DDAB CC(C)C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C(=O)O 3276838 JNVHWCIOBJHXIY-NSHDSACASA-N 315.347 1.162 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCCNC1 44502503 JZHFRIMDWCFPQS-NSHDSACASA-N 302.827 1.926 0 40 DDAB CC[C@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)O)C1=O 57842205 TYBWWICGISYOPB-MRXNPFEDSA-N 320.345 1.716 0 40 DDAB COc1ccc2cc(C(=O)NCCC(=O)N(C)C)c(C)nc2c1 58223590 UBEIPTPRVLEMQH-UHFFFAOYSA-N 315.373 1.760 0 40 DDAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1 2118173 UVROLOKXJYRRMD-VIFPVBQESA-N 319.313 1.247 0 40 DDAB biogenic CC(=O)Nc1ccc(CC(=O)N[C@H](C)Cn2ccnc2)cc1 44934279 NZLXQVDNFXNGOM-GFCCVEGCSA-N 300.362 1.589 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 44945901 QLDGIDHZJFOWPA-PSASIEDQSA-N 318.345 1.512 0 40 DDAB C[C@H]1CN([C@@H](C)CNC(=O)NCCCn2ccnc2)C[C@@H](C)O1 44946486 FIOZHKOEAHRIJO-SOUVJXGZSA-N 323.441 1.070 0 40 DDAB CN(CCc1ccncc1)C(=O)CNC(=O)/C=C/c1ccccc1 58341006 OLDHBLPMRHIDGO-BQYQJAHWSA-N 323.396 1.912 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1cc(C)c(OC)c(C)c1 58330292 OAAYPMUJRFFMNB-GFCCVEGCSA-N 307.394 1.588 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1ccc(F)cc1 58357981 LSSWFCWBRKQFAC-GFCCVEGCSA-N 308.353 1.441 0 40 DDAB Oc1ccc(C2=CCN(C[C@H](O)CN3CCOCC3)CC2)cc1 58391968 PFSPZPOJKCGRPX-SFHVURJKSA-N 318.417 1.174 0 40 DDAB O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCCC[C@@H]1CO 81633791 FYZYGVSMRIVZDY-OCCSQVGLSA-N 315.377 1.940 0 40 DDAB O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCS(=O)(=O)C1 17635866 SRMPCOKJWUAASX-OAHLLOKOSA-N 303.383 1.686 0 40 DDAB C[C@@H](Cc1nnc(S[C@H](C)C(N)=O)n1N)c1ccccc1 3326084 LYFOBQVCSCRAOR-VHSXEESVSA-N 305.407 1.304 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)NCc1ccccc1F 12778988 PLFZGGJICHJCML-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB O=C(NCCn1ccnc1)NC[C@H](O)c1ccc(F)cc1F 48235134 BZHMFJQMJVLJPA-ZDUSSCGKSA-N 310.304 1.194 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N1CCc2sccc2C1 48301331 YRRPIKYFYBTNHJ-AAEUAGOBSA-N 321.446 1.089 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 12981199 OAXJIUZBLREFBQ-NXEZZACHSA-N 307.350 1.300 0 40 DDAB Cc1cnn(CCN[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 70005020 XLDHHENVBYQAAB-GFCCVEGCSA-N 304.398 1.159 0 40 DDAB CS(=O)(=O)N(CCCC(=O)NC1CC1)c1ccccc1F 113964745 CCZNGFGOKLJHAD-UHFFFAOYSA-N 314.382 1.651 0 40 DDAB CC(=O)c1ccc(N2CCN(c3nc(=O)c(C)n[nH]3)CC2)cc1 5009340 YOVAVCGJJGPRBP-UHFFFAOYSA-N 313.361 1.003 0 40 DDAB COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4385898 GEABFLISLCYQKM-GHJWDPDVSA-N 320.320 1.483 0 40 DDAB CC(C)CCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 6325717 ZTTBQNLKUWYYKJ-UHFFFAOYSA-N 316.398 1.754 0 40 DDAB CCn1cc(CNC(=O)c2cc(C(F)(F)F)nn2C)cn1 28235690 ZAVMZNWYYUMDPV-UHFFFAOYSA-N 301.272 1.585 0 40 DDAB COc1c(CN[C@H](C(=O)NC2CCCC2)C(C)C)c(C)nn1C 65475857 JXLCPBXIKSPXIG-HNNXBMFYSA-N 322.453 1.910 0 40 DDAB CC(C)[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 65603568 GSJUAHGDWJYFOG-MRVPVSSYSA-N 324.855 1.841 0 40 DDAB CCN1CCN(CCS(=O)(=O)c2cccc(OC)c2)CC1 65621080 ZRHKGDDJILWJLS-UHFFFAOYSA-N 312.435 1.106 0 40 DDAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(N)=O 7232408 RLGRQKXKMWRFKQ-NSHDSACASA-N 303.358 1.945 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2c1OCO2 80319239 NKEBPTYXFCKDPA-AWEZNQCLSA-N 324.336 1.468 0 40 DDAB CCn1cc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cn1 71195483 GRHYMOTZTWAQRD-UHFFFAOYSA-N 316.365 1.090 0 40 DDAB Cc1cc(C)cc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)c1 71326417 MOFOJRQXJBQLBE-AWEZNQCLSA-N 300.362 1.793 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)Nc3ccncc3F)n2)cc1 96007551 PJLNUKDESZRGJT-UHFFFAOYSA-N 312.308 1.821 0 40 DDAB COCCOc1ncccc1NC(=O)N[C@@H](C)[C@H]1CCCO1 71795641 XJZLRVLCUFWMPM-WCQYABFASA-N 309.366 1.796 0 40 DDAB Cc1occc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 96443217 CXMUCTNMFJXSKM-CQSZACIVSA-N 320.389 1.832 0 40 DDAB Cc1cnn(CCC(=O)N2CCCC[C@@H]2C(=O)NC(C)(C)C)c1 71894187 SUBSCMAQLKVZTI-CQSZACIVSA-N 320.437 1.877 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(Cl)cn2)CC1 71834700 IDPIHVSILFSQFE-UHFFFAOYSA-N 318.764 1.386 0 40 DDAB C[C@H]1CN(C(=O)Cc2cnn(-c3ccccc3)n2)[C@H](C)CO1 71852372 PSMVZVZVYQRDOV-OLZOCXBDSA-N 300.362 1.446 0 40 DDAB COc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(OC)c1 71867447 JBJAMXRUMRWZFJ-ZDUSSCGKSA-N 321.421 1.070 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1 83829982 DCKBLTQASHYYBO-LBPRGKRZSA-N 317.349 1.446 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)CCC(=O)O)CC1=O 96595572 IYHIUUSHYJZJMG-GXTWGEPZSA-N 318.373 1.529 0 40 DDAB CCc1noc(CC)c1CC(=O)N1C[C@@H]2CCC[C@H](C1)C2O 87375067 SGFCWYQSOLQSQV-GTKHYJCHSA-N 306.406 1.961 0 40 DDAB Cc1cccc(NC(=O)CCNC(=O)c2ccc(F)cn2)n1 97085667 JXXLLCVEKDJJOZ-UHFFFAOYSA-N 302.309 1.683 0 40 DDAB C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1c1ccccc1 97032203 STACMMOTCSIYKO-DOMZBBRYSA-N 310.419 1.488 0 40 DDAB C[C@@H]1OCC[C@@H]1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97379653 JISAJVCIYHPKDJ-AAEUAGOBSA-N 300.362 1.555 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@H](C)[C@H](N(C)C)C1)C2 84714277 UZEFCOOTGIPIIU-JGGQBBKZSA-N 318.417 1.655 0 40 DDAB NC(=O)CCCOC(=O)[C@H]1CCCCN1Cc1ccccc1 95461529 OZNUCRPZBGTOCH-OAHLLOKOSA-N 304.390 1.850 0 40 DDAB Cc1[nH]c(=O)ccc1C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 95435600 DLAICEFRPVNBKA-IBGZPJMESA-N 324.380 1.997 0 40 DDAB O=C1NCCN(C(=O)C2CC2)[C@H]1c1ccccc1Br 95453532 SJLVQAMGZJEUNW-LBPRGKRZSA-N 323.190 1.859 0 40 DDAB O=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1cccs1 97995081 TXQZTKSYFFUVKL-UHFFFAOYSA-N 314.370 1.827 0 40 DDAB COc1ccccc1CS(=O)(=O)Cc1ccn(C)c(=O)c1 95953194 ADZLRENVIIJKHB-UHFFFAOYSA-N 307.371 1.509 0 40 DDAB Nc1ccnc(CNC(=O)C2=Cc3cc(Cl)ccc3OC2)n1 95993381 WDKYSFQSWZVGPS-UHFFFAOYSA-N 316.748 1.804 0 40 DDAB COc1cc2c(cc1CN[C@H]1CCCCNC1=O)O[C@@H](C)C2 85876847 DPIPYWPGHOPPGS-FZMZJTMJSA-N 304.390 1.777 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)CCn2cncn2)C12CCCCC2 75092903 KIHHLZUKGQSJAY-KBPBESRZSA-N 306.410 1.912 0 40 DDAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)C[C@@H]1CCCO1 75111298 UVFPQADKZWAETM-AAEUAGOBSA-N 322.390 1.317 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(=O)[nH]1 75121738 QAMOWVQNJCXDHB-HNNXBMFYSA-N 317.364 1.855 0 40 DDAB Cc1cc(O)cc(=O)n1CCCc1nc(-c2cccnc2)no1 1547200869 MKSWCYPMOOFZPT-UHFFFAOYSA-N 312.329 1.940 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)c1ccccc1 71281732 RYMZCSDNXOHGBH-MELADBBJSA-N 304.390 1.762 0 40 DDAB COC(=O)[C@@H](C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 5235507 YUJFJCXRWYSCJQ-SNVBAGLBSA-N 319.313 1.158 0 40 DDAB biogenic O=C(Cn1cc(Cl)cn1)N1CCC(c2cnccn2)CC1 72384902 LLBLDXOZVNUWRV-UHFFFAOYSA-N 305.769 1.733 0 40 DDAB CC(C)C(=O)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1 72341948 WLMTUVVUEKILPE-AWEZNQCLSA-N 315.377 1.249 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cn1 71284952 DMWRZWNXMQKRTF-UHFFFAOYSA-N 312.207 1.841 0 40 DDAB COc1ccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 49468704 MTWZZSHBHPEMKX-UHFFFAOYSA-N 304.302 1.293 0 40 DDAB COc1ccccc1C(=O)Nc1cnc(N(C)C)nc1N(C)C 224348344 FSFZJFSFTZDDIG-UHFFFAOYSA-N 315.377 1.870 0 40 DDAB CCO[C@@H]1C[C@@](O)(CNc2cnn(C)c(=O)c2Cl)C1(C)C 225592757 CCJGASHASROODR-QMTHXVAHSA-N 315.801 1.412 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCc2ccccc2C)c1 339595195 QFSFUFYPMFXFOV-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB O=C1[C@@H]2CCN(c3ncccn3)C[C@@H]2OCCN1c1ccccc1 96107118 OCVBTGBFDXGMDJ-CVEARBPZSA-N 324.384 1.735 0 40 DDAB Cn1ncc2c(N3CC[C@H](CNc4ccccn4)C3)ncnc21 97200881 ZGOSNDFSRKLYDL-GFCCVEGCSA-N 309.377 1.697 0 40 DDAB CCn1ncc2c1CN(C(=O)Cc1ccccn1)C[C@H]2COC 96044574 HZTDBPXZAKSAIL-ZDUSSCGKSA-N 314.389 1.613 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@H]3C2)no1 97953828 KPCPYBZNXQKJKP-IMJJTQAJSA-N 319.405 1.489 0 40 DDAB CC[C@H](NC(=O)c1cccc2cc[nH]c12)C(=O)N1CCOCC1 96460482 TYNVSRVQBDEFOZ-AWEZNQCLSA-N 315.373 1.535 0 40 DDAB CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 230481020 AAZKJJBFTWUBOI-NUEKZKHPSA-N 318.417 1.558 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(CC3CC3)C[C@H]2O1)NCc1cccnc1 96207798 BVTDJZFHLDYKQI-YESZJQIVSA-N 315.417 1.587 0 40 DDAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)o1 96252915 PENVAUSJORYEHT-OWCLPIDISA-N 306.406 1.950 0 40 DDAB CCOCC(=O)NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1 96199190 RMBFKRSFVUPUAJ-NSHDSACASA-N 322.390 1.058 0 40 DDAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3S(=O)(=O)C3CC3)O2)n1 96040887 WOAWWSHUENKQQP-UTUOFQBUSA-N 313.379 1.165 0 40 DDAB NC(=O)C[C@H](Nc1ncc(Cl)cc1F)C1CCOCC1 96485208 LSHMGWVNAUATNL-NSHDSACASA-N 301.749 1.957 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(S(C)(=O)=O)[C@@H]2C 96070139 AQIYWFFRLVEVEM-LLVKDONJSA-N 300.428 1.060 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 96185256 SJOOUZXEOMTWLJ-AEGPPILISA-N 308.447 1.716 0 40 DDAB Cc1cc(-c2noc(CNC(=O)c3cc(C4CC4)on3)n2)no1 252536971 KAAIGTPECAQWEC-UHFFFAOYSA-N 315.289 1.828 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CN)COC 252515201 HVXSZJKHIWFJJU-MCIONIFRSA-N 317.838 1.832 0 40 DDAB CNC(=O)c1sc2nccnc2c1C1CCN(C(C)=O)CC1 257332456 XXKACJFCZSRKSB-UHFFFAOYSA-N 318.402 1.777 0 40 DDAB COCC(=O)N1CCC(c2nccnc2-c2ccnn2C)CC1 257244397 ILCKDPRGRAMUKL-UHFFFAOYSA-N 315.377 1.230 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 257289451 PYRJRUOAUUKCIO-HUUCEWRRSA-N 308.809 1.550 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257215311 CPOFLSOPNXFJTK-CQSZACIVSA-N 316.361 1.555 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257328521 XGAGVBMWHPWSKO-OAHLLOKOSA-N 312.373 1.661 0 40 DDAB CO[C@H]1C[C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@@H]2C1 257203431 AQADEIRQIYVKSQ-URLYPYJESA-N 317.311 1.785 0 40 DDAB COC1(CNC(=O)C(=O)NC2CC2)C2CC3CC(C2)CC1C3 96123905 JUPCVGMTEOXHDA-UHFFFAOYSA-N 306.406 1.223 0 40 DDAB CCOCC(=O)N1CCc2ncc(-c3c(C)cnn3C)n2CC1 585111290 MTFKFQSUTLARBY-UHFFFAOYSA-N 317.393 1.013 0 40 DDAB O=C1CSCN1CC(=O)N1CCC[C@H]1Cc1ccccc1 68746700 PFWIMQSLCQYETG-AWEZNQCLSA-N 304.415 1.753 0 40 DDAB c1cc2c(cc1C1(CNC3=NCCN3)CCCC1)OCCO2 69656078 SOTIPKDQWOJEAD-UHFFFAOYSA-N 301.390 1.818 0 40 DDAB COCc1ccc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)cc1 1553425226 CDDUTXFSFNUJJF-HNNXBMFYSA-N 303.406 1.856 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)c1ccccc1Cl 75157293 AMQMLZNHUMKEIC-LLVKDONJSA-N 309.840 1.732 0 40 DDAB Cn1nc(-c2ccncc2)cc1C(=O)N[C@H]1CCNC12CCC2 1579989250 OANDOBBUSVEHHR-HNNXBMFYSA-N 311.389 1.497 0 40 DDAB CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1c[nH]cn1 96413242 NXGMITKKAQZWTK-UHFFFAOYSA-N 322.434 1.552 0 40 DDAB O=C1NC(=O)/C(=C\c2ccc(I)cc2)N1 564113 AYKHCDIQJGOBPJ-VMPITWQZSA-N 314.082 1.472 0 40 DDAB O=C(c1ccccc1F)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549168477 WYNOFJHCZUFAPH-UHFFFAOYSA-N 304.321 1.594 0 40 DDAB Cc1nn(CC(=O)NC2CCC2)c(=O)c2cc3sccc3n12 12115267 QQEKVZUEWHQOFB-UHFFFAOYSA-N 316.386 1.688 0 40 DDAB O=C1CC[C@H](NC(=O)c2cccs2)[C@@H](c2cccnc2)N1 12147987 LRSIHZQRXQGAOA-SMDDNHRTSA-N 301.371 1.893 0 40 DDAB C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2 12345636 YJBMESSSMLPELD-SDBXPKJASA-N 321.764 1.171 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)[C@@H]1CCCO1 13226869 TVVSLCSISYUBKC-LNSITVRQSA-N 312.373 1.805 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 13688753 RWQVTRRMQBFQPY-XPABHHOTSA-N 316.401 1.633 0 40 DDAB CN1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)CC1 155512970 NDGGYZWETXNHLS-UHFFFAOYSA-N 313.760 1.582 0 40 DDAB Cc1cccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)c1C 4280108 NUZPWCCIYOWCOD-HIFRSBDPSA-N 320.389 1.854 0 40 DDAB O=S(=O)(Cc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 253404318 QYDUWDUVWWFWMI-RBSFLKMASA-N 311.403 1.443 0 40 DDAB O=C(c1ccccc1)N1CCN(Cc2nc(C3CC3)no2)CC1 29454195 PWKXYUOLNYRPKT-UHFFFAOYSA-N 312.373 1.905 0 40 DDAB COC(=O)Cn1ncc(N(C)Cc2ccccc2)c(Cl)c1=O 3180769 ZEIFQBWEUJFDBJ-UHFFFAOYSA-N 321.764 1.706 0 40 DDAB Cc1cn2nc(N3CCN(c4nnc(C)s4)CC3)ccc2n1 1888881744 BRWIPYRZYCJPCS-UHFFFAOYSA-N 315.406 1.524 0 40 DDAB Cn1cnc(CN2CC[C@H](O)[C@@H](Oc3cccc(F)c3)CC2)c1 2037849866 XKPKWLLJDCBMOR-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 968352658 LGZORNXXRJDPGQ-PHIMTYICSA-N 300.318 1.132 0 40 DDAB CCO[C@H]1CO[C@@]2(CCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1565545211 BKNQHINKHHOJTP-WBVHZDCISA-N 322.380 1.950 0 40 DDAB CSCC[C@H](O)CNC(=O)C1(c2ccccc2)CCOCC1 1775967518 VBWUPTRKBPTCPM-HNNXBMFYSA-N 323.458 1.965 0 40 DDAB O=C(Cc1ccsc1)NCCn1nc2c(cc1=O)CCC2 585150315 KLHFFMDFQSUNJU-UHFFFAOYSA-N 303.387 1.152 0 40 DDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cc2ccsc2)n[nH]1 225556729 AAAXMTDTJUNFLF-ZDUSSCGKSA-N 318.402 1.866 0 40 DDAB O=S(=O)(NCc1nncn1-c1ccccc1)c1cccs1 30361507 STFXFUAFHWRLJH-UHFFFAOYSA-N 320.399 1.807 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)N2CCOCC2)o1 40488257 NTLWTKDAXYQWHL-WCQYABFASA-N 314.407 1.412 0 40 DDAB CCOC(=O)CN1C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C1=O 100522019 YZWSDYCXIUSQAG-AWEZNQCLSA-N 319.357 1.879 0 40 DDAB COCCNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 40516050 BVOOMPSOBWDJEE-UHFFFAOYSA-N 314.267 1.662 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 40534765 LFFUUTAPEQZAPU-LSDHHAIUSA-N 322.430 1.447 0 40 DDAB O=C(NCCNc1cnccn1)[C@H]1Cc2cc(Cl)ccc2O1 40512319 GBNGLPCCEYVGIF-CYBMUJFWSA-N 318.764 1.662 0 40 DDAB C[C@@H](C(=O)NCc1cccnc1)N1C(=O)c2ccccc2C1=O 258006 UPVUBERKGOWNHO-NSHDSACASA-N 309.325 1.383 0 40 DDAB O=C(O)[C@H]1C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 2571154 ASKYUNKQJIMTOK-UWVGGRQHSA-N 303.236 1.922 0 40 DDAB CC(C)CNC(=O)[C@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 51823427 YDBIERRLDQFJSV-HNNXBMFYSA-N 305.422 1.370 0 40 DDAB Cn1nnc(-c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2)n1 71285026 NDOMSNUSYAYMSP-WDEREUQCSA-N 315.333 1.172 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 6738531 RHFHOEDNWKOTSK-MEBBXXQBSA-N 322.361 1.348 0 40 DDAB C[C@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)NCc1ccccc1 7681717 YRXDARWTIJRGHQ-LBPRGKRZSA-N 300.314 1.182 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 60470449 BDDGJIRVPORJKW-TZMCWYRMSA-N 307.438 1.376 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)n1C 21521500 BAZRYTJVTLJUAG-UHFFFAOYSA-N 314.389 1.495 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 8475969 MUUOTASCXSTVFP-SECBINFHSA-N 300.380 1.132 0 40 DDAB CCOC(=O)N[C@H](C(=O)Nc1ccc(N(C)C)nc1)C(C)C 32912209 XJUQSRSDXLQDLO-ZDUSSCGKSA-N 308.382 1.857 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nnnn1C1CC1 52799331 KALDEBASIXHQKA-GFCCVEGCSA-N 324.392 1.782 0 40 DDAB COC(=O)c1cccnc1S[C@H]1[C@H]2OC(=O)[C@@H]3C[C@H]1C[C@H]23 102781144 AHWJVKRUQMIORR-BRANHHFCSA-N 305.355 1.910 0 40 DDAB Cc1cc(CN(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)no1 103145672 MMRKNEFGYMDZQM-CHWSQXEVSA-N 319.361 1.117 0 40 DDAB O=C(/N=c1/sccn1Cc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] 103239894 XQKOURAATWYSPN-PUDGCBNKSA-N 321.333 1.830 0 40 DDAB O=C(NCc1ccoc1)NC[C@@H]1CCN(CC(F)(F)F)C1 46953809 JYXQBHNRUNOIIL-JTQLQIEISA-N 305.300 1.963 0 40 DDAB Cc1ccc(N2C(=O)N(CC(=O)NC3CC3)C(=O)[C@@H]2C)cc1 22704140 FSGSBVDJOLBWDX-NSHDSACASA-N 301.346 1.431 0 40 DDAB CN1CC(=O)N(C[C@H](O)c2cccc(C(F)(F)F)c2)C1=O 42246449 BDFZQGUUGDKPQJ-JTQLQIEISA-N 302.252 1.633 0 40 DDAB COc1ccccc1C(=O)NCCS(=O)(=O)c1ccccc1 47386044 PYRSYHZHACFRDM-UHFFFAOYSA-N 319.382 1.899 0 40 DDAB NC(=O)c1cccc(Cn2nc(-c3cccs3)oc2=O)c1 47438936 SFNVIBVCRYBQSX-UHFFFAOYSA-N 301.327 1.712 0 40 DDAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H](C)O[C@H](C)C1 24032452 SQEHNPSDRXEGJE-MXWKQRLJSA-N 318.377 1.292 0 40 DDAB COC[C@H]1CCC[C@]12CN(C(=O)Cc1ccccn1)CCO2 107194406 ZFNLMEWEEAKEBR-PBHICJAKSA-N 304.390 1.668 0 40 DDAB CCOc1cccc(N2CCN(C(=O)c3ncoc3C)CC2)n1 106705614 JRZQJRROUWVCRR-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)c3ccc(F)cc3)c12 57279749 UJQNSPKKKMOYBD-UHFFFAOYSA-N 301.325 1.647 0 40 DDAB O=S(=O)(NCCNc1ncccn1)c1cccc(Cl)c1 26711984 IFQVJMNORYPYPW-UHFFFAOYSA-N 312.782 1.520 0 40 DDAB C[C@@H](C(=O)N1CCCC1)N1CCN(c2ccccc2O)CC1 58160685 OESIKSSQRRZAOQ-AWEZNQCLSA-N 303.406 1.525 0 40 DDAB COC(=O)C1(NC(=O)c2ccc3c(c2)OCCO3)CCCC1 44840995 XAAQNSONFZKMTF-UHFFFAOYSA-N 305.330 1.673 0 40 DDAB O=C(Nc1cc(-n2cnnn2)ccc1F)c1cccc2cn[nH]c12 58230569 FBWCKPASQMZJJH-UHFFFAOYSA-N 323.291 1.930 0 40 DDAB COC(=O)CNC(=O)NCc1cccc(Br)c1 58217520 BNPYWRZTXXWNQE-UHFFFAOYSA-N 301.140 1.421 0 40 DDAB O=S(=O)(C/C=C/c1ccccc1)Cc1nnnn1C1CC1 44954041 MVNNYHBJESNDHT-QPJJXVBHSA-N 304.375 1.636 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NOCc1ccccc1 10319305 SVEVOXWGVYWCHI-UHFFFAOYSA-N 310.313 1.040 0 40 DDAB CCCN(CC(=O)OC)S(=O)(=O)c1cccc2ncccc12 58306977 FOFPWJZKYGLOGV-UHFFFAOYSA-N 322.386 1.809 0 40 DDAB Cc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1F 36394385 JAUAKACVZXYOEW-UHFFFAOYSA-N 314.382 1.288 0 40 DDAB COc1cc(CNC(=O)c2ccc(Cn3cncn3)cc2)ccn1 48291091 QAQWJXHDARNDSB-UHFFFAOYSA-N 323.356 1.660 0 40 DDAB Cc1ncc2c(n1)CN(CC(=O)N1CCc3ccccc31)CC2 69489272 ZMKXONKQPTYXSQ-UHFFFAOYSA-N 308.385 1.732 0 40 DDAB CCc1c(C(=O)N(C)CCN2CCOCC2)[nH]c(C)c1C(C)=O 69456104 JWBALYBSAXJQBR-UHFFFAOYSA-N 321.421 1.492 0 40 DDAB CN1CC(=O)N(CC(=O)c2ccccc2)c2ccccc2C1=O 12893976 NWEGEFOQKLXZMC-UHFFFAOYSA-N 308.337 1.988 0 40 DDAB biogenic CCc1ccc(C(=O)N2CCN(CCCC(=O)O)CC2)cc1 116344112 ZHBMLTXXLMYUBV-UHFFFAOYSA-N 304.390 1.872 0 40 DDAB O=C1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccccc2N1 12939175 GQMWCBISJLUCHS-OAHLLOKOSA-N 322.320 1.753 0 40 DDAB CNC(=O)c1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1 8424115 WTNKMIKGXOSTCG-UHFFFAOYSA-N 303.362 1.243 0 40 DDAB CN(C)CCOc1ccc(CN[C@H]2CCc3ncnn3C2)cc1 69521332 XCJMZNXOHSRKPX-HNNXBMFYSA-N 315.421 1.323 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2O)cc1 69582144 AJSILOQEHAIGMU-UHFFFAOYSA-N 319.382 1.655 0 40 DDAB O=C(N[C@@H]1CCOc2ccccc21)c1cccnc1-n1cncn1 39551986 IJXGHKQSFKAFDD-CQSZACIVSA-N 321.340 1.916 0 40 DDAB CCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988416 NSERNDBMVBTTQJ-CYBMUJFWSA-N 312.391 1.048 0 40 DDAB O=C(Cc1ccc(F)cc1)NCCNCc1cccc(O)c1 69847247 WANQRHVRFZJPOB-UHFFFAOYSA-N 302.349 1.980 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 69841828 WYKQBYWSZXVSSW-ZFWWWQNUSA-N 306.410 1.076 0 40 DDAB CNC(=O)CNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 65535800 JLERMKWBPICKSG-UHFFFAOYSA-N 312.373 1.145 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3nnc(C4CC4)o3)CC2)on1 65542261 GGJRFCIAGPGEQW-UHFFFAOYSA-N 317.349 1.201 0 40 DDAB CC(C)c1nn(C)c(Cl)c1CNC[C@H]1CN(C)CCO1 69979356 PEHUFYHAGICJPP-NSHDSACASA-N 300.834 1.617 0 40 DDAB Cc1ccccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1O 5603988 LMSVWGGKOOKUJN-UHFFFAOYSA-N 306.343 1.600 0 40 DDAB Cc1ccccc1CN(C)C(=O)CSc1nc(N)cc(N)n1 4894223 DAEPUOYZVDRBNE-UHFFFAOYSA-N 317.418 1.700 0 40 DDAB C[C@H](CC1CCOCC1)N[C@@H]1CCN(c2cnn(C)c2)C1=O 90017485 XXOXSJUMSGMBNH-IUODEOHRSA-N 306.410 1.320 0 40 DDAB Cc1cccc2nc(CNC(=O)N[C@@H]3CCCC[C@@H]3CO)cn12 81494463 IMHQMEGTLOGERV-UKRRQHHQSA-N 316.405 1.993 0 40 DDAB O=C1OCCN1CCN1CCCN(Cc2ccccc2F)CC1 68973261 SSZDFNMCXAGXBR-UHFFFAOYSA-N 321.396 1.786 0 40 DDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 408976874 SSOMLPKUMPLARD-KNPMLCFXSA-N 319.744 1.535 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)N[C@@H](CO)c1ccccc1 89826377 NHCWZOCALWACEF-HNNXBMFYSA-N 309.362 1.979 0 40 DDAB C[C@@H]1CN(C(=O)CN2CSCC2=O)C[C@@H](c2ccccc2)O1 71827250 UQZNICCNIAANDJ-OCCSQVGLSA-N 320.414 1.508 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 71830830 RQLCCNDCGCVBCH-CZUORRHYSA-N 316.401 1.891 0 40 DDAB NC(=O)[C@@H](CNC(=O)c1cc(Cl)c[nH]1)Cc1ccc(F)cc1 71841567 PIVKJOMOJBHLDV-SNVBAGLBSA-N 323.755 1.881 0 40 DDAB CN(CC(=O)N1CCOCC1)Cc1cc(Cl)nc(Cl)c1 71897214 CHAUCRSYKJBTMV-UHFFFAOYSA-N 318.204 1.679 0 40 DDAB Cc1ccc([C@@H]2CSCCN2CC(=O)N2CCOCC2)cc1 71909422 SEFQVLGWHUGSGT-INIZCTEOSA-N 320.458 1.944 0 40 DDAB CC(C)(C)c1cc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)no1 71920348 AZJDVXFYXIXSOR-JTQLQIEISA-N 320.393 1.264 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1c(C)noc1Cl)C2 72230263 ZFQZSOBAWWTNOS-SNVBAGLBSA-N 308.769 1.815 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc12 72283094 BQSJJXLADMEBON-CYBMUJFWSA-N 310.361 1.940 0 40 DDAB COc1ccc(C(=O)N(C)CC2CCC2)cc1-n1cnnn1 97081266 MMUUPPOMFJIODO-UHFFFAOYSA-N 301.350 1.543 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(OC(F)F)cc1 97099927 PTQVABLGFMCYRQ-ZYHUDNBSSA-N 301.289 1.396 0 40 DDAB CC(C)c1noc(CCNC(=O)N(C)C[C@@H]2CCCC[C@H]2O)n1 97049367 YMLYUAHTWOPWLZ-QWHCGFSZSA-N 324.425 1.928 0 40 DDAB Cc1noc(COc2ccc(OCc3nnc(C)n3C)cc2)n1 97114866 YSTGDUXDGPXLJA-UHFFFAOYSA-N 315.333 1.973 0 40 DDAB CC(C)[C@H]1CC[C@H](C)CCN1C(=O)CS(=O)(=O)N(C)C 97107330 XQERQZXREHFZCG-QWHCGFSZSA-N 304.456 1.551 0 40 DDAB Cn1ccnc1CNC[C@@H](c1cccs1)N1CCOCC1 72314841 UCOBNSDDKVGIQB-ZDUSSCGKSA-N 306.435 1.645 0 40 DDAB COc1ccc(CCNC(=O)c2cc(=O)c(OC)cn2C)cc1 72325106 NSSAXXYCIBJDGZ-UHFFFAOYSA-N 316.357 1.375 0 40 DDAB biogenic CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCOC3)CCO2)n1 76046285 MLMYYFAHSTWZJI-WDEREUQCSA-N 308.382 1.039 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2cccc3ncccc23)CC1 76084316 YCZOVUASFDMHOS-UHFFFAOYSA-N 321.384 1.931 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3nccs3)[C@H](C)C2)on1 95351834 RVAHPTCNCOQFPA-LLVKDONJSA-N 321.406 1.589 0 40 DDAB CC[C@H]1C(=O)NCCN1CC(=O)Nc1cccc(C(C)=O)c1 76418854 XYPZDIMBPTVUPV-AWEZNQCLSA-N 303.362 1.038 0 40 DDAB O=C(NCCOc1ncc(Cl)cc1Cl)c1cc[nH]n1 95417290 FEYDIIDMGBUYLM-UHFFFAOYSA-N 301.133 1.920 0 40 DDAB Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(N)=O)cc2)no1 78875264 FIGDOWUIXGKWHC-SNVBAGLBSA-N 303.318 1.338 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 79054063 LMAFSDVIHRMLCY-ZETCQYMHSA-N 316.188 1.935 0 40 DDAB O=C(Nc1cc(N2CCNC2=O)ccc1Cl)[C@@H]1CCCO1 95958532 GLTDNAYPXDANJO-LBPRGKRZSA-N 309.753 1.987 0 40 DDAB O=S(=O)(CC1CCC1)N1CCN(c2nccs2)CC1 95976325 HNSFSUYHJVMKKI-UHFFFAOYSA-N 301.437 1.395 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)c(C)c1 74767772 OVPFKZJPCPMRRI-UHFFFAOYSA-N 324.446 1.853 0 40 DDAB COC(=O)CCNC(=O)c1c2c(nc3onc(C)c13)CCC2 79475614 HCELWWOBGBHUMM-UHFFFAOYSA-N 303.318 1.313 0 40 DDAB Cc1cnc(CN2CCN(Cc3nccn3C(F)F)CC2)cn1 86230865 CMJRCPKIVPOUQO-UHFFFAOYSA-N 322.363 1.694 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)CS(=O)(=O)C(C)C)C2)n[nH]1 89598992 SSSMCVCVOXUNPN-GFCCVEGCSA-N 313.423 1.247 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnnn1C1CC1 75132366 FVFKCDQMZMMTEM-ZDUSSCGKSA-N 301.398 1.695 0 40 DDAB O=C(N[C@@H]1CCCn2ncnc21)[C@H]1CSc2ccccc2O1 75108183 CQRHIYPVLYWFIG-ZYHUDNBSSA-N 316.386 1.783 0 40 DDAB Cc1nc(Cc2noc([C@H]3CC(=O)N(C4CC4)C3)n2)cs1 544910950 GSJWOFYSTISXBZ-VIFPVBQESA-N 304.375 1.904 0 40 DDAB CC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241310 NOIIDLBTKYZCIE-KGLIPLIRSA-N 310.781 1.763 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 79311398 WIPBLZGWJNOECV-WDEREUQCSA-N 322.327 1.425 0 40 DDAB Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c1 77938178 VSBMSVKIWQEOQS-RISCZKNCSA-N 308.353 1.740 0 40 DDAB CCN(CC)c1ccc(NS(=O)(=O)c2cnn(C)c2)cn1 78556730 HLPKPGHEWKIDNU-UHFFFAOYSA-N 309.395 1.462 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 79410083 JFPOOFAVDLWUCM-OLZOCXBDSA-N 313.442 1.828 0 40 DDAB COC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218419912 NVTZOBTVXRSMQW-AGIUHOORSA-N 303.811 1.442 0 40 DDAB CN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1 72242179 WEHNETWWMLXEHW-HIFRSBDPSA-N 306.337 1.204 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218380937 QQDLQDQLUAFBNE-GMXVVIOVSA-N 317.794 1.111 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)Nc1nncs1 30038833 PXLZIDROXSUPIH-UHFFFAOYSA-N 315.152 1.101 0 40 DDAB COc1ccc(CNC(=O)COc2c[nH]c(C)cc2=O)cc1 72400592 XHQDRXZYZPCRLJ-UHFFFAOYSA-N 302.330 1.387 0 40 DDAB Cc1cc(C[C@H]2COCCN(C(=O)C3CCCC3)C2)ncn1 72388293 KJCHSIXHDGKELG-CQSZACIVSA-N 303.406 1.993 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1CCC(=O)NC(N)=O 88562435 VPLOMWIKATZBNC-CYBMUJFWSA-N 304.394 1.302 0 40 DDAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCOC 222751919 VLAIZGUBUSOZDB-AWEZNQCLSA-N 306.406 1.966 0 40 DDAB CCOC(=O)Cn1cc(C(=O)OCC)c(=O)c2ccccc21 46085274 CGDSLDHETJPANQ-UHFFFAOYSA-N 303.314 1.741 0 40 DDAB O=C(NCCc1ccc2c(c1)CCO2)C(F)(F)C1(O)CCC1 195547418 JVHQCTARBNRSBV-UHFFFAOYSA-N 311.328 1.831 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nn1 225421353 SPLBCPTTXPHQRO-NSHDSACASA-N 304.375 1.843 0 40 DDAB CCOC(=O)[C@]1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1 238283977 DGZNMZANSOFJFJ-OAHLLOKOSA-N 315.366 1.740 0 40 DDAB O=C(CCn1cc(Cl)cn1)NC(=O)NCc1ccccc1 95438805 VICZZJVQEGOVIO-UHFFFAOYSA-N 306.753 1.953 0 40 DDAB O=S1(=O)CC[C@H](N(Cc2cn3ccccc3n2)C2CC2)C1 96405528 ACRRBVZTZRAACJ-AWEZNQCLSA-N 305.403 1.486 0 40 DDAB Cn1cc(N2C[C@@]3(CCN(Cc4ccncc4)C3)CC2=O)cn1 96239303 QESAAOUWRYWRIK-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)no1 96448159 AXOGBFGQDMELGB-UHFFFAOYSA-N 306.299 1.890 0 40 DDAB CN(C)CC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96157421 GBAORBJDBZNSMZ-UHFFFAOYSA-N 316.449 1.458 0 40 DDAB CCOC[C@@H]1CN(C(=O)N(C)C)Cc2nnn(CC3CC3)c21 96045630 DCRYUVFMZKYNPC-LBPRGKRZSA-N 307.398 1.305 0 40 DDAB CC(C)n1nc(CN(C)C)c2c1CN(Cc1cnn(C)c1)C2 96084534 CVDFSFVZUPIRKI-UHFFFAOYSA-N 302.426 1.775 0 40 DDAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc2nnnn2c1 96118671 CTYOKOUMVUTQFI-UHFFFAOYSA-N 321.344 1.363 0 40 DDAB CCN(CC)CCNC(=O)c1ccc(=O)n(-c2ccccc2)c1 96192068 ZYKRJUYIOPKOIJ-UHFFFAOYSA-N 313.401 1.909 0 40 DDAB CCN(CC)[C@@H]1[C@@H](O)[C@H](NCC2CCCCC2)[C@H]2CO[C@@H]1O2 96533295 JHAFNLMRIZRFQX-OVYGPGRDSA-N 312.454 1.351 0 40 DDAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccccn1)C2 96214955 IKJJQGLPCWSYJI-HNNXBMFYSA-N 323.418 1.112 0 40 DDAB C[C@H](Cc1ccsc1)N(C)c1ncc(S(N)(=O)=O)s1 96483063 SWBUBACEDUJPBM-MRVPVSSYSA-N 317.461 1.919 0 40 DDAB Fc1cccnc1O[C@H]1CCOC2(C1)CN(c1ncccn1)C2 247497858 DNQABZNBXIBYOW-LBPRGKRZSA-N 316.336 1.828 0 40 DDAB Cc1cccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)c1 257303496 SHMWSMBCUODIBE-HUUCEWRRSA-N 324.371 1.911 0 40 DDAB CC(=O)N1CCCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257318399 VNTWXCLDJHZHRQ-CYBMUJFWSA-N 315.377 1.505 0 40 DDAB COc1cccc(CC(=O)N2CCOC[C@@H]2c2ccn[nH]2)c1 257215208 CPDNHGMEUZANPU-OAHLLOKOSA-N 301.346 1.561 0 40 DDAB CC(=O)N1CCCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257318400 VNTWXCLDJHZHRQ-ZDUSSCGKSA-N 315.377 1.505 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CC[C@@](O)(CN(C)C)C1 257294217 QTCBBDXXOFXYNV-QGZVFWFLSA-N 306.406 1.071 0 40 DDAB Cc1cc([C@@H]2CCCCN2C(=O)Cn2cccn2)nc2nccn12 257244245 IKMFOEHYKRSKOP-HNNXBMFYSA-N 324.388 1.988 0 40 DDAB Cc1nc[nH]c1CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257225628 FHBNPYZXLQWLEI-HUUCEWRRSA-N 317.345 1.040 0 40 DDAB Cc1c(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)cnn1C 257339087 ZADXKBSREZGNPI-INIZCTEOSA-N 315.421 1.763 0 40 DDAB O=C(COc1ccc(F)c(Cl)c1)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257263647 LQVNOTHHDPDHCK-YRGRVCCFSA-N 317.744 1.248 0 40 DDAB O=C(c1cnccn1)N1CC2(CC[C@@H](CN3CCCC3)CO2)C1 575406158 XAJKIHHSAWAOKV-AWEZNQCLSA-N 316.405 1.194 0 40 DDAB C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccn(C)c(=O)c1 494742365 MUQGGLHISVZWGL-LLVKDONJSA-N 323.393 1.418 0 40 DDAB CCCCc1ncc(CN(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)[nH]1 585291580 QJKMRZVAINCZTL-FMKPAKJESA-N 311.426 1.613 0 40 DDAB COc1cccc(-n2cc(C(=O)N3Cc4cnn(C)c4C3)nn2)c1 585140358 CCOUKSPYWAEABA-UHFFFAOYSA-N 324.344 1.165 0 40 DDAB CNC(=O)c1ccc(CNC(=O)NC2CCC(O)CC2)cc1 45547740 QDWXZPNBZLYSJO-UHFFFAOYSA-N 305.378 1.149 0 40 DDAB CC1CCN(CCNC(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 65496143 ZCGKHOCWRYXNNA-HOTGVXAUSA-N 312.454 1.809 0 40 DDAB COC1CCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 71808711 XVDUXBUSIUMUOQ-UHFFFAOYSA-N 302.378 1.906 0 40 DDAB Cc1nc(NC(=O)[C@H]2COCCO2)ccc1Br 74240498 JLQYLDYFASJEHH-SECBINFHSA-N 301.140 1.506 0 40 DDAB O=C1/C(=C\c2ccc(-n3cncn3)cc2)N=C2SCCCN12 4051253 QTFUGYCXGIYBDU-MDWZMJQESA-N 311.370 1.943 0 40 DDAB Cc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C2=O)c(C)c1 19765581 QXYDEVOURBANIZ-ZYHUDNBSSA-N 322.386 1.080 0 40 DDAB CCCC[S@@](=O)C[C@H]1CO[C@H](C[S@@](=O)CCCC)CO1 35326126 WDTXZNJFCMZNEA-GOFCXKROSA-N 324.508 1.868 0 40 DDAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@@H]21 169298434 XMLLJWLJLCSFBK-DJBIQUGXSA-N 314.341 1.902 0 40 DDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101273921 ULFBAUZGGGJIEX-LLVKDONJSA-N 311.334 1.754 0 40 DDAB O=C(CSc1nc(=O)n2ccccc2n1)NC1CCCCC1 4499760 HTRCHODRYCYJTE-UHFFFAOYSA-N 318.402 1.631 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)nn1 1888856999 LANRRBOLGXWZOR-HUUCEWRRSA-N 309.373 1.388 0 40 DDAB CN([C@H]1CCN(c2cnc3ccccc3n2)C1)S(C)(=O)=O 1888864000 SDCLWEAAWYTGBR-NSHDSACASA-N 306.391 1.100 0 40 DDAB COCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 24590245 QGDANKRFOHQYBP-UHFFFAOYSA-N 320.776 1.926 0 40 DDAB CC1CC(C(=O)N2C[C@H]3CN(CCN4CCCC4)C(=O)[C@H]3C2)C1 1565552663 ROTVOEANTSBESL-FJBKBRRZSA-N 319.449 1.045 0 40 DDAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(C)CC1 22999022 AGBZTYZZEYUPGG-UHFFFAOYSA-N 321.446 1.805 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cccnc1SC 225631921 UVECPCHTSXWNLQ-ONGXEEELSA-N 310.375 1.206 0 40 DDAB COC1CCN(C2CN(C(=O)[C@H](C)Oc3ccccc3)C2)CC1 575610333 JTBUKRRBUYEFIJ-AWEZNQCLSA-N 318.417 1.776 0 40 DDAB Nc1ccc(S(=O)(=O)Nc2nc(O)c3c(n2)CCCC3)cc1 8581324 IGRUZSGUUNZKEB-UHFFFAOYSA-N 320.374 1.444 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)c(C)c1 15465415 RZECEAYIQWSMTA-LSDHHAIUSA-N 316.401 1.952 0 40 DDAB NC(=O)CCCNC(=O)/C=C/c1ccc(Br)s1 40093511 VOKZRURAHAFWLJ-GQCTYLIASA-N 317.208 1.906 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)C(=O)OC)ccc21 30886728 KDLAWCTUSKHCIS-JTQLQIEISA-N 317.345 1.016 0 40 DDAB Cc1nc(C)c(CC(=O)NCCc2csc(C)n2)c(=O)[nH]1 31272151 QVNKRMZAXGJSHV-UHFFFAOYSA-N 306.391 1.053 0 40 DDAB Cc1noc(C)c1CCC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 40489254 HSSXHROCRWSFTO-VXGBXAGGSA-N 309.410 1.449 0 40 DDAB O=S(=O)(NCCSc1nncn1C1CC1)c1ccccc1 40555271 SILNEDQWPHZBFK-UHFFFAOYSA-N 324.431 1.684 0 40 DDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccc(C)cc2)no1 40528580 VSGMRUUSQUHJJF-JTQLQIEISA-N 323.374 1.094 0 40 DDAB Cc1cc(NC(=O)CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)no1 40540234 AUHYXFFYDSFMCS-KBPBESRZSA-N 323.393 1.582 0 40 DDAB CNC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 36750920 ZAPJEBGUUUAIOJ-UHFFFAOYSA-N 312.373 1.471 0 40 DDAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)O)C1=O 36722483 MBKPMQYFUMHDOR-GFCCVEGCSA-N 317.128 1.845 0 40 DDAB in-vitro Cc1nc2ccccc2c(=O)n1CCC(=O)NCC(F)(F)F 29075391 GBVDWBWGSVDWMY-UHFFFAOYSA-N 313.279 1.774 0 40 DDAB COC(=O)[C@@H](CNC(=O)Nc1cn[nH]c1)Cc1cccc(C)c1 69654227 WPCPPWSTLLXEFK-CYBMUJFWSA-N 316.361 1.872 0 40 DDAB COc1cc(OC)c(C2=CCN(CC(N)=O)CC2)c(OC)c1 29595817 BOYNPTYKMZDYDK-UHFFFAOYSA-N 306.362 1.287 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccccc1 1709628 VZNNEWFFVQPORY-UHFFFAOYSA-N 323.304 1.709 0 40 DDAB O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O 3617733 IWQJEAWVHIBCDP-UHFFFAOYSA-N 313.357 1.444 0 40 DDAB in-vitro COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 3905462 UUPIQDRVFLAETN-BASYENTBSA-N 313.353 1.450 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)=O)C1 71870736 FOYBTNRYAYITDW-LSDHHAIUSA-N 318.421 1.620 0 40 DDAB O=C(CCNC(=O)N1CCCC1)N1CCc2sccc2C1 52140279 DVFUTENCKYBYBK-UHFFFAOYSA-N 307.419 1.828 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCN(c2ncccn2)CC1 6285418 YAHZCECEKPFVSC-UHFFFAOYSA-N 316.336 1.343 0 40 DDAB COC(=O)c1ccc(-c2ccc(CNc3nnnn3C)o2)cc1 7602255 CJJRLNOFBXIOEJ-UHFFFAOYSA-N 313.317 1.869 0 40 DDAB Cc1nn2c(=O)cc(CN(C[C@H]3CCOC3)C3CC3)nc2s1 52774807 WFNMZRLLWDYJBK-LLVKDONJSA-N 320.418 1.460 0 40 DDAB CN1CCN(C(C)(C)CNCc2c[nH]nc2C(C)(C)C)CC1 71819565 YLDFMEMBSLHUDE-UHFFFAOYSA-N 307.486 1.823 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCOc2ccccc2F)CC1 71870996 JTUADLWDFXNKFX-ZDUSSCGKSA-N 310.369 1.120 0 40 DDAB O=C(CCc1cc(F)ccc1F)NC[C@H]1CCS(=O)(=O)C1 53009512 XGYGLBPDWKFSRG-SNVBAGLBSA-N 317.357 1.448 0 40 DDAB CCCc1cc(=O)n2nc(C(=O)N3CCC(C)CC3)nc2[nH]1 100906252 SNDBJUFZEBRHNY-UHFFFAOYSA-N 303.366 1.242 0 40 DDAB CCN(CC)[C@@H](C)CNC(=O)c1cccnc1N1CCOCC1 41915167 GDJATMGADSCXES-AWEZNQCLSA-N 320.437 1.378 0 40 DDAB CN(CC(N)=O)C(=O)COc1ccc(Cl)c2ccccc12 47109580 YFRMWTJJGRUWTQ-UHFFFAOYSA-N 306.749 1.816 0 40 DDAB CCCCNC(=O)C1CCN(c2ncnc3c2cnn3C)CC1 42100168 QODSMQSGBZZUPW-UHFFFAOYSA-N 316.409 1.496 0 40 DDAB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1cccnc1 47220632 SALPWLGUNOBHDV-UHFFFAOYSA-N 311.345 1.812 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1cc(C)on1 69737593 HXENSZZSWOHQMS-KGLIPLIRSA-N 320.393 1.397 0 40 DDAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCCN1CCC[C@H](C(N)=O)C1 104363370 DZJIWJFMWWOXKG-JJXSEGSLSA-N 323.481 1.367 0 40 DDAB CC1(C)C[C@@H](NC(=O)[C@H](c2ccccc2)n2cnnn2)CCO1 61721275 ZICMPIYIFKBGPW-KBPBESRZSA-N 315.377 1.336 0 40 DDAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC(=O)NC1 47771362 VCSWHUCJVNKGFX-JTQLQIEISA-N 303.387 1.781 0 40 DDAB Cc1ccc(N2C(=O)N([C@H](C)C(=O)NC3CC3)C(=O)[C@H]2C)cc1 12587971 WNJFBPIWTHIVOX-VXGBXAGGSA-N 315.373 1.819 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCCC[C@@H]1Cn1cncn1 71876288 HYWXHJQHKHJREM-HZPDHXFCSA-N 316.405 1.573 0 40 DDAB COc1ccc(CCN2CCN(C(=O)c3cc[nH]n3)CC2)cc1 71836602 KCIOSJSXPJMRGY-UHFFFAOYSA-N 314.389 1.419 0 40 DDAB CCCCN(CC)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 24978666 GEAXQLBDLHFJHA-HNNXBMFYSA-N 316.405 1.755 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cc(C)nc2ncnn12 106788618 ZYLKNHVUUZONNY-ZIAGYGMSSA-N 314.393 1.412 0 40 DDAB CCOc1cccc(N2CCN(C(=O)c3cscn3)CC2)n1 106706568 AMSBFFTXHJVEBD-UHFFFAOYSA-N 318.402 1.899 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(CCc2cccs2)CC1 55644431 YIUPRNGXMZHKGX-UHFFFAOYSA-N 317.414 1.437 0 40 DDAB Cc1csc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 47890940 XPDCUBDUZNSZGD-CYBMUJFWSA-N 308.451 1.584 0 40 DDAB CCc1nnsc1C(=O)N1C[C@H](CC)[C@H](N2CCOCC2)C1 83820191 BXWULMKNLNKNMI-WCQYABFASA-N 324.450 1.283 0 40 DDAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccn1 108129350 JSJNVMGSNOBMGB-FRRDWIJNSA-N 318.421 1.983 0 40 DDAB C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1CC(F)(F)F 108145456 MRIHLRORNPMUMY-DGCLKSJQSA-N 323.359 1.834 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 71907888 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Fc1cccc(-n2ccc(CN[C@H]3CCc4ncnn4C3)n2)c1 69848480 YAMAWRLWCQRTNF-AWEZNQCLSA-N 312.352 1.708 0 40 DDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(C3CCCC3)C[C@@H]1C2 306124118 BGLXNENZIWKFAX-STQMWFEESA-N 317.437 1.463 0 40 DDAB O=S1(=O)C[C@@H]2N=C(Nc3ccc(F)c(F)c3)S[C@H]2C1 3907040 JLZSQDSKGFHSJJ-UWVGGRQHSA-N 304.343 1.645 0 40 DDAB CCN(CC(=O)NC(C)C)CC(=O)N[C@H](C)c1ccccc1 6085834 DTKTZVSXXGQAQF-CQSZACIVSA-N 305.422 1.710 0 40 DDAB CC(=O)N1CCCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 65403773 PMBXMIFEGXRWQJ-OAHLLOKOSA-N 317.389 1.254 0 40 DDAB COc1cc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc(OC)c1 14108465 WSOYCFQJONQLKS-CYBMUJFWSA-N 309.366 1.725 0 40 DDAB CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)CNC2=O)cc1 14235837 VVRGKLVMTIUOHG-GFCCVEGCSA-N 306.362 1.276 0 40 DDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccnc1 14371531 MXKZQXYUPICNTM-UHFFFAOYSA-N 300.343 1.652 0 40 DDAB CN(C)S(=O)(=O)N1CCC(Nc2ccccc2F)CC1 96428458 DIBJKDWEDFRHCN-UHFFFAOYSA-N 301.387 1.508 0 40 DDAB N[C@@H](CSCC(=O)Nc1ccccc1C(F)(F)F)C(=O)O 4769886 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72234734 DYAFILPUPRNMCR-OAHLLOKOSA-N 300.362 1.902 0 40 DDAB CCc1ncc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 72269428 BDVHVWKZZPOVPW-NEPJUHHUSA-N 309.435 1.377 0 40 DDAB CC1(C)[C@@H](OC(=O)CCn2ccccc2=O)[C@H]2CCCO[C@H]21 76090210 JGAWPSXBDNXICU-MAZHCROVSA-N 305.374 1.985 0 40 DDAB Cc1cc(C)nc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 97142883 RXLVHVAAFHMEMG-AWEZNQCLSA-N 319.453 1.703 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3cnn(C)c3)CC2)on1 97203125 XSPSSKRVBMYJTJ-GFCCVEGCSA-N 317.393 1.923 0 40 DDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(C[C@@H]3CCCO3)C2)C1=O 95402606 UDVQYDOUGIPMHA-DVOMOZLQSA-N 309.410 1.208 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ccncc2Cl)CC1 95408603 TWWXGJUVUVJAEQ-LBPRGKRZSA-N 310.829 1.770 0 40 DDAB COC[C@](C)(NC(=O)CNC(=O)C(C)(C)C)c1ccccc1 79971674 UDLMDHVYWSZXLE-KRWDZBQOSA-N 306.406 1.827 0 40 DDAB CN1C[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)CC1=O 95954331 NLJCJISNKHOGER-OCCSQVGLSA-N 307.369 1.023 0 40 DDAB COC(=O)N1CC(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 89478412 LVPROGMASWBRQS-MRVPVSSYSA-N 314.288 1.299 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ccncc2Cl)CC1 89448696 YVWUBINONYNDPJ-NSHDSACASA-N 308.813 1.524 0 40 DDAB C[C@H]1[C@@H](NCc2ccc(-n3cncn3)c(F)c2)CCS1(=O)=O 552311890 HMUTWBSKGBWXHB-GWCFXTLKSA-N 324.381 1.072 0 40 DDAB Cc1ncsc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 65538542 LIKDOZIYNYADLC-JTQLQIEISA-N 305.407 1.911 0 40 DDAB COc1cccc(CN2CCO[C@]3(CCCN(C(C)=O)C3)C2)c1 63527725 HKEDMJHPMVNWIQ-GOSISDBHSA-N 318.417 1.909 0 40 DDAB O=C(NCCO)C(=O)NCC(c1ccccc1)c1ccccc1 408706794 DIFBSWGBVNVABL-UHFFFAOYSA-N 312.369 1.043 0 40 DDAB COCCCNC(=O)CCn1nc(C)c(Br)c1C 32611174 RFRFGLHMZVVCSG-UHFFFAOYSA-N 318.215 1.805 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@H]2[C@H]2CCCOC2)nc1 516967970 XHVOKTSCVKVXCT-JSGCOSHPSA-N 310.419 1.881 0 40 DDAB C[C@H]1CN(Cc2nnnn2C(C)(C)C)CCN(C2CCC2)C1 519858676 QYQWHOZIGQJELD-ZDUSSCGKSA-N 306.458 1.734 0 40 DDAB COC(=O)c1cn([C@H]2CCC[C@H](C(=O)O)C2)cc2c(O)nnc1-2 524735106 VVOMHAGITZOHII-IUCAKERBSA-N 319.317 1.691 0 40 DDAB COc1ncc(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)cc1Cl 528749192 AHUBMORGSAUKTE-GASCZTMLSA-N 314.813 1.556 0 40 DDAB NC(=O)C[C@H](NC(=O)c1coc(-c2ccccc2)c1)C(=O)O 408723358 SHQZISOLVLWUIG-NSHDSACASA-N 302.286 1.005 0 40 DDAB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(F)cc1 408667086 QAWQYIXOIWRWKS-HQCMNVCHSA-N 318.300 1.749 0 40 DDAB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N2C(C)=O)c1 39940599 NDDLIXNZUBZNFY-YRNVUSSQSA-N 306.343 1.308 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1ccc2cc[nH]c2c1 32072170 IYOAJOBLVWCMEJ-MRXNPFEDSA-N 323.352 1.956 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccn2)n[nH]1 72242843 YNUATTJCHKANJN-UHFFFAOYSA-N 305.297 1.663 0 40 DDAB CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCCCCC1 225404326 NCNRZPMAZDBYIF-LSDHHAIUSA-N 307.438 1.378 0 40 DDAB biogenic,in-vitro Cn1nccc1C1=CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 329333050 WYIWHBDWSLRFNJ-CQSZACIVSA-N 311.389 1.495 0 40 DDAB CCC[C@H](N)C(=O)N1CCN(CCc2ccc(F)cc2)CC1 195543836 YWXFKBPFLOEMTR-INIZCTEOSA-N 307.413 1.640 0 40 DDAB Cc1cc(=O)n2nc(CN[C@H]3CC(C)(C)OC3(C)C)sc2n1 132537485 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COc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)cc1 96057472 PCHLPJABMVTLSQ-BRWVUGGUSA-N 318.417 1.905 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2nnn(C)c21 96198510 HGMJMSPDOXRZPI-JTQLQIEISA-N 306.391 1.192 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1cc(C)oc1C 96081206 ZZCHCPAGLRJJOB-UONOGXRCSA-N 306.362 1.358 0 40 DDAB CCOC[C@@H]1C[C@]2(COCCN2C(=O)c2ccccc2F)CO1 96240711 ZVWLOKGTMGYPQR-GUYCJALGSA-N 323.364 1.862 0 40 DDAB COCCc1noc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 96511616 KRHSSYGBYAKMSZ-UHFFFAOYSA-N 312.329 1.780 0 40 DDAB O=C(Cn1cnnn1)N[C@@H]1CCCN(c2ccccc2Cl)C1 96423041 ALHZXFCTRQRJSQ-LLVKDONJSA-N 320.784 1.112 0 40 DDAB CN1CC[C@H](C(=O)OCCN2CCCc3ccccc32)CC1=O 96442710 BQLBOFMVFBXFGP-HNNXBMFYSA-N 316.401 1.851 0 40 DDAB Cn1cc(N2C[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]3C2=O)cn1 96245259 NUZDBAFMGHYQEX-BBRMVZONSA-N 314.364 1.654 0 40 DDAB Cc1ccc(NC[C@@H]2CCN(CC(=O)Nc3ccon3)C2)nc1 97200789 IASDJWSIHGUOMQ-ZDUSSCGKSA-N 315.377 1.751 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 257298279 RLAIZBSDAKEIDJ-LBPRGKRZSA-N 301.350 1.071 0 40 DDAB Cc1cc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)[nH]n1 257229167 FWYKEAFEZYDDFA-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB Cn1ccnc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 257217029 CXDYRGFRGPRDTP-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)c2cc3cccc(F)c3[nH]2)CCO1 257283933 PANHBHUWHHMEPB-HNNXBMFYSA-N 305.309 1.023 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)n1 257316175 VELMSVITHRUNLR-CQSZACIVSA-N 317.393 1.142 0 40 DDAB CNC(=O)[C@@]1(C)CN(CCCOc2ccccc2F)CCO1 257310653 UFZNBRIVVSMDEL-MRXNPFEDSA-N 310.369 1.432 0 40 DDAB CO[C@H]1CN(C(=O)COc2ccccc2F)C[C@@]12CCCO2 257329005 XHZJENQOQIGRLW-HOCLYGCPSA-N 309.337 1.611 0 40 DDAB CCOC(=O)[C@@H]1C[C@H](C(=O)OCC)N1C(=O)OC(C)(C)C 259557189 HWUJJICITUTJRX-AOOOYVTPSA-N 301.339 1.491 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2cc(C)on2)n1 257225789 FHVSMZNZJRDLJN-INIZCTEOSA-N 315.377 1.746 0 40 DDAB Cn1cc([C@H](O)C[C@H]2CCCN2Cc2c(Cl)cnn2C)cn1 390835505 OVMQOGCYKCQGOR-IUODEOHRSA-N 323.828 1.895 0 40 DDAB CO[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1Cc1ccccc1 585113288 OIKODAIWQGIWOK-KBPBESRZSA-N 300.362 1.287 0 40 DDAB O=C(N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1ccccc1 585262339 ONCPRXFHVNNOIX-MWQQHZPXSA-N 310.353 1.791 0 40 DDAB CC(=O)N1Cc2cccn2C[C@H](CC(=O)NCc2ccco2)C1 585099167 RAXUTIOOEUIKRP-AWEZNQCLSA-N 315.373 1.766 0 40 DDAB CON(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 42160683 MGYRLZZVBREGJR-UHFFFAOYSA-N 314.407 1.705 0 40 DDAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccc(F)cc1 13608535 YJMPHPAGYONRMY-ZIAGYGMSSA-N 301.383 1.891 0 40 DDAB O=C(CCCNC(=O)C1CC1)Nc1nnc(C(F)F)s1 49043492 PATKIMBVGGTSFV-UHFFFAOYSA-N 304.322 1.721 0 40 DDAB Nc1cc(C(=O)NCCCN2CCCCCC2=O)cc(Cl)n1 58315847 BKDUHLBPUMXYAT-UHFFFAOYSA-N 324.812 1.840 0 40 DDAB CC(C)c1ncncc1C(=O)NCCN1C[C@H](C)O[C@@H](C)C1 65452635 QEDHZHSEHAJCOA-STQMWFEESA-N 306.410 1.439 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 67619799 FCQHYISHUQWIFN-ZDUSSCGKSA-N 318.373 1.888 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccn(C)c2)CCN1CC(F)(F)F 95447332 HTQYPJNPDQKPDU-LLVKDONJSA-N 318.343 1.803 0 40 DDAB OCCOCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 96424956 OXHDNOAUYRJDAO-UHFFFAOYSA-N 301.318 1.851 0 40 DDAB CC[C@@H]1CN(c2nccnc2N2CCO[C@H](CC)C2)CCO1 97144423 WADJDLFTAYQMCX-ZIAGYGMSSA-N 306.410 1.707 0 40 DDAB O=C(c1ccncc1F)N1CCN(c2ccccn2)C(=O)C1 1775966293 WNAHPHPOKQGTGX-UHFFFAOYSA-N 300.293 1.105 0 40 DDAB Cc1nc(SCC(=O)N2CCNC2=O)n(CC(C)C)c1C 5262905 SQRFXHPRTGMDEU-UHFFFAOYSA-N 310.423 1.800 0 40 DDAB Cc1c(CCC(=O)O)c(=O)oc2cc(O[C@@H](C)C(=O)O)ccc12 5546285 DDNOAPDXGFXDJH-VIFPVBQESA-N 320.297 1.971 0 40 DDAB O=C(NCCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 239611830 FFKGCBNJQSABJE-OAGGEKHMSA-N 304.390 1.865 0 40 DDAB CN1CC[C@]2(O)Oc3ccc(Br)cc3[C@@H](O)[C@@H]2C1 1889077986 YLHNNNJDAYNMMN-UHTWSYAYSA-N 314.179 1.515 0 40 DDAB Cc1ccccc1CN1CCO[C@@H](C(=O)N2CCOCC2)C1 1889122672 GPXUHBMRVSPTOW-MRXNPFEDSA-N 304.390 1.055 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2cnccn2)CC1 25834072 QFDPDCHVCNNACR-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB O=C(N[C@H]1CCc2nc(N3CCCC3)ncc2C1)[C@H]1CCOC1 1565556548 NKXRRZKVPNZFCY-JSGCOSHPSA-N 316.405 1.087 0 40 DDAB O=C(c1ccccc1Br)N1CC(Cn2cncn2)C1 1565520319 MTIZPJVESXGAAS-UHFFFAOYSA-N 321.178 1.813 0 40 DDAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](N2CCOC2=O)C1 618257551 XSNFXBPELDBDOT-NEPJUHHUSA-N 322.336 1.646 0 40 DDAB C[C@@H](O)CN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4280011 GUBIJNTUYZRNSJ-LDYMZIIASA-N 300.742 1.092 0 40 DDAB COC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 100117511 BEMIFCKFLHMUJC-TXEJJXNPSA-N 301.346 1.771 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=S)NC[C@H]2CCCO2)C1 50252899 GAPYKFRGIIKXQC-CHWSQXEVSA-N 313.467 1.278 0 40 DDAB Cn1cnnc1CNC(=O)COc1cc(Cl)ccc1Cl 40497644 WMVZPFNLDWMIBW-UHFFFAOYSA-N 315.160 1.817 0 40 DDAB Cc1ccc2nc(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 40467933 ROESDEBIRZYGRY-GFCCVEGCSA-N 318.398 1.769 0 40 DDAB COc1ccc(-c2nnc3c4cnn(C)c4ncn23)cc1OC 108388 SGTNTUICMAWADE-UHFFFAOYSA-N 310.317 1.695 0 40 DDAB COc1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2=O)c(OC)c1 100840689 FJEWELOHNTZPEF-CYBMUJFWSA-N 306.362 1.329 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cc(=O)n2ccsc2n1 100893138 BCIONILMJTYNSE-GHMZBOCLSA-N 315.354 1.207 0 40 DDAB Cc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)s1 40505310 AITILVKXWRRSNO-UONOGXRCSA-N 324.446 1.524 0 40 DDAB O=C(C1CCCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 40509935 LABPTIVMQDZTKK-UHFFFAOYSA-N 323.418 1.105 0 40 DDAB O=C(NCCNc1cnccn1)c1cncc(Br)c1 40505016 VJFOJZNWCDKPBN-UHFFFAOYSA-N 322.166 1.476 0 40 DDAB NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 416856 DNHDWMKWKXWWBZ-UHFFFAOYSA-N 315.358 1.559 0 40 DDAB FC(F)(F)c1ccnc(NC[C@@H]2CN(C3CC3)CCO2)n1 69601637 QQMNORWSEOYBCW-SNVBAGLBSA-N 302.300 1.771 0 40 DDAB Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCC2 1617174 WIVMYCMTHVFMHS-UHFFFAOYSA-N 304.737 1.883 0 40 DDAB COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 20762297 RVRWGNOMMJFSPT-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB biogenic CCCN(CCC)C(=O)CCC(=O)OCCNc1ncccn1 69654735 PGMJHXAGTVJCGF-UHFFFAOYSA-N 322.409 1.861 0 40 DDAB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2OC(=S)O[C@@H]12 4990489 WQXKACVWXQXVKD-DHRKEOQWSA-N 324.354 1.541 0 40 DDAB CCOC(=O)[C@@H](N)[C@@]1(N2CCOCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635548 SWNZLWUXFFBWHH-JFTQMJAMSA-N 324.465 1.794 0 40 DDAB Cc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 9875777 HROQQYZDGMVTHR-HNNXBMFYSA-N 317.389 1.850 0 40 DDAB CCNC(=O)Cn1nc(C)c2c(C(=O)O)cc(C3CC3)nc21 12396371 GHTLLKGHZKQOGI-UHFFFAOYSA-N 302.334 1.451 0 40 DDAB CN(C(=O)NCc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 69378409 YXBNNFDXIOZAHX-LBPRGKRZSA-N 322.386 1.761 0 40 DDAB CC1(C)C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CCO1 61718008 LMGDWOAJALUASB-GFCCVEGCSA-N 307.398 1.406 0 40 DDAB COc1cccc(CNC(=O)NCCN2CCCCCC2=O)c1 47684672 JPSOFXXCQXXKFX-UHFFFAOYSA-N 319.405 1.897 0 40 DDAB O=C1CN(C(=O)COc2ccc(C(F)(F)F)cc2)CCN1 53849394 UIENBMWQTQQGCI-UHFFFAOYSA-N 302.252 1.043 0 40 DDAB CCc1cc2c(=O)n(NC(=O)C3CCOCC3)cnc2s1 22869125 SEYHBCWICCYBEG-UHFFFAOYSA-N 307.375 1.517 0 40 DDAB O=C(C1CC1)N1CCN(Cn2nc3ccccn3c2=S)CC1 23995873 JYIPLFYCSNEWKN-UHFFFAOYSA-N 317.418 1.377 0 40 DDAB CCOc1cc2c(cc1CNC(=O)C1=COCCO1)O[C@@H](C)C2 24645941 MZLLVLVOZVAPIP-NSHDSACASA-N 319.357 1.913 0 40 DDAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCn1ccnc1 69777257 PJNFKAQJEWCXPH-LBPRGKRZSA-N 324.450 1.337 0 40 DDAB CC(C)[C@H](C(=O)NCc1cccnc1)N1C[C@H](C)O[C@H](C)C1 106153725 QMNAMPFHFZDVBY-IJEWVQPXSA-N 305.422 1.832 0 40 DDAB CCCCc1nc(CN[C@H]2CCCN(c3cccnn3)C2)no1 69738314 CXVWQXABFVJNQC-ZDUSSCGKSA-N 316.409 1.961 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2C)c1C 3307624 ARNUIKFSJMJSBB-UHFFFAOYSA-N 323.378 1.307 0 40 DDAB Cc1noc(C)c1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 3378942 RKZPUGROKURAOV-RISCZKNCSA-N 310.375 1.789 0 40 DDAB COc1ccccc1NC(=O)NCCN1C[C@H](C)O[C@H](C)C1 26225040 YCDOCWNFJICKGU-BETUJISGSA-N 307.394 1.926 0 40 DDAB CCNC(=O)CN(CC)C(=O)CCc1ccc(OC)c(OC)c1 57024936 XSDDHNVBRWIKPQ-UHFFFAOYSA-N 322.405 1.621 0 40 DDAB Cn1nccc1CNC(=O)NCc1ccc(Cn2cccn2)cc1 26394900 JPAFPXHZXXYCGO-UHFFFAOYSA-N 324.388 1.664 0 40 DDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1=COCCO1 24594327 ZMFRPMCCXNELLH-UHFFFAOYSA-N 304.346 1.589 0 40 DDAB CCN(Cc1ccccc1)S(=O)(=O)NCc1ncc(C)o1 89969286 SRNDPEURKPVYFT-UHFFFAOYSA-N 309.391 1.840 0 40 DDAB O=C(Nc1ccc(-n2nccn2)cc1)NC1CCC(O)CC1 57612171 KZKZSIQBXRQQPJ-UHFFFAOYSA-N 301.350 1.692 0 40 DDAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCNC1=O 12780989 SQCGLJUQOXFSGG-SNVBAGLBSA-N 305.334 1.200 0 40 DDAB CCOC(=O)NCC(=O)N[C@H](C)c1ccc(NC(=O)CC)cc1 58179576 FGXTUDOVSBXSNM-LLVKDONJSA-N 321.377 1.958 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)COc1ccccc1F 58282546 NKWZMQGJFVWAPA-JTQLQIEISA-N 320.276 1.675 0 40 DDAB CCOCCO[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 44979708 PMTXKFKSHZTWJY-GHMZBOCLSA-N 322.361 1.786 0 40 DDAB C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)n1cncn1 44910893 CGUGUUNFZOAFNG-RISCZKNCSA-N 321.812 1.912 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)NCc1ccc2c(c1)OCO2 27931035 WJIFTSVXYLXYIE-LLVKDONJSA-N 312.391 1.624 0 40 DDAB CCCOc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 48345319 QVCORFORBBVZGL-GFCCVEGCSA-N 312.391 1.784 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 10889354 JAFAVCTXWWLPHI-SKDRFNHKSA-N 311.359 1.228 0 40 DDAB CCOC(=O)CCN(CC(=O)OCC)C(=O)OC(C)(C)C 36451677 DCKXWKWPBLYKJP-UHFFFAOYSA-N 303.355 1.740 0 40 DDAB in-vitro O=C1N[C@H](CCC(=O)N2CCCC2)C(O)=Nc2ccccc21 36594924 BHDBADUKZKXHED-CYBMUJFWSA-N 301.346 1.789 0 40 DDAB O=C(Nc1ccc(OC(F)F)cc1)c1nc2ncccn2n1 36618793 RJDJCFUHFMCGLX-UHFFFAOYSA-N 305.244 1.978 0 40 DDAB Cc1sc2ncnc(OCC(=O)N3CCOCC3)c2c1C 3599905 YIZXCXWAXVNENB-UHFFFAOYSA-N 307.375 1.546 0 40 DDAB Cc1nc(C)c(CCC(=O)NCc2ccccc2F)c(=O)[nH]1 12927337 CFQBQHYTNGMOEA-UHFFFAOYSA-N 303.337 1.775 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](n2cccn2)C1 69431897 GWMWUJVWPGWDJR-XJKSGUPXSA-N 313.357 1.887 0 40 DDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccnc1 69444481 XWYWTKJGPQAPHB-INIZCTEOSA-N 304.438 1.570 0 40 DDAB CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)cc1 13691331 ZMDYAKPJLNWOKG-LBPRGKRZSA-N 315.333 1.507 0 40 DDAB CC(C)CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940977 JZYXQYZBJZBWJE-LLVKDONJSA-N 316.398 1.752 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1c[nH]cc1-c1ccccc1OC 69536837 QSWOUKHFEHUUKG-LLVKDONJSA-N 315.373 1.945 0 40 DDAB Cc1ncc(C(=O)NCCNC(=O)c2ccccc2F)s1 65403167 ZJABJKFFLCDIOU-UHFFFAOYSA-N 307.350 1.750 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H](C)Nc2ccc3c(c2)CCO3)CC1 65410868 IQIPZKCJCOIVDW-LBPRGKRZSA-N 317.389 1.113 0 40 DDAB Cc1cccc(C)c1OC[C@@H](O)CN1CCn2ccnc2C1 65594487 XCBFOQBJOJKFKX-HNNXBMFYSA-N 301.390 1.755 0 40 DDAB COc1cccc(-c2n[nH]cc2CNC[C@H]2CN(C)CCO2)c1 65615062 QYGBFZVLWOUUCZ-INIZCTEOSA-N 316.405 1.506 0 40 DDAB Cc1ccc2oc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2n1 65624091 WWJJUJOMWAPIAL-CQSZACIVSA-N 308.359 1.443 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(SCC)s1 5450445 XUVLNIWTPSJZOF-UHFFFAOYSA-N 320.465 1.978 0 40 DDAB COc1cc2c(cc1O)-c1ccc(O)cc1OC[C@@](O)(CO)C2 14681321 MPBIWBGTEYMVRN-KRWDZBQOSA-N 318.325 1.432 0 40 DDAB biogenic C=CCn1c(O)c(C(=O)Nc2ncccn2)c(=O)c2ccccc21 5685807 GPHABZSGROKBSD-UHFFFAOYSA-N 322.324 1.935 0 40 DDAB COc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2ccccc2)n1 4999470 VEJQESZHVVDKRH-SNVBAGLBSA-N 319.386 1.576 0 40 DDAB O=C(CCNC(=O)c1ccco1)NCCOc1ccccc1 15554533 HCKFIZHOTKJTLI-UHFFFAOYSA-N 302.330 1.595 0 40 DDAB CCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cn1 80307951 JPNFMCRDOZFJDY-NSHDSACASA-N 322.390 1.209 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 7814161 VIZWJKOZTCGPRQ-SNVBAGLBSA-N 324.324 1.494 0 40 DDAB CCc1cnc(CN(C)[C@H]2CCN(CCn3cncn3)C2)o1 78892008 ICWZJQCDOWQWGA-ZDUSSCGKSA-N 304.398 1.035 0 40 DDAB Cc1nc(C(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)c[nH]1 78894271 RJZMJJLNBPRJOJ-LLVKDONJSA-N 304.354 1.173 0 40 DDAB C[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)N1CCCCCC1 96449136 QAXPMICPCZFMIN-CYBMUJFWSA-N 316.467 1.287 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1nc(C)c(C)s1 96439687 YLVWAILLPWSFRX-SCZZXKLOSA-N 312.439 1.862 0 40 DDAB COc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cn1 9871434 CCRBWAOWDZPDEM-UHFFFAOYSA-N 310.313 1.973 0 40 DDAB CCN1CCN(C(=O)CC2CCN(C(=O)C=C(C)C)CC2)CC1 71888944 GEKJCFWQSRQYQN-UHFFFAOYSA-N 321.465 1.745 0 40 DDAB COc1cccc(CNC[C@@H]2CNc3ccnn3C2)c1OC 71888642 VEJFTHRMJITNPU-GFCCVEGCSA-N 302.378 1.732 0 40 DDAB O=C(CCc1ccco1)N1CCCN(c2cccnn2)CC1 71860318 WSJFAOBQDAOLEY-UHFFFAOYSA-N 300.362 1.741 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCN2CCCC2=O)c1 71866159 TUXSRXUUWAXOQP-OAHLLOKOSA-N 318.421 1.585 0 40 DDAB O=C1CCCN1CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820004 AIXDRCAUNUSUFY-AWEZNQCLSA-N 322.792 1.862 0 40 DDAB CC[S@](=O)CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 72283754 IEVXUBRXASKRBR-YCRPNKLZSA-N 308.447 1.536 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC(C(=O)O)(c2ccccc2)CC1 72274554 XNYWARWBFLXSHB-AWEZNQCLSA-N 303.358 1.810 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNCc2cccnc2C)ncn1 72254079 JWPXVMYSRPDCDG-OAHLLOKOSA-N 312.421 1.980 0 40 DDAB CC(=O)c1cc(C(=O)N2CCOC[C@H]2c2cccn2C)n(C)c1 97143924 BSNVDVJHMALVID-INIZCTEOSA-N 315.373 1.780 0 40 DDAB Cn1cc(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)cn1 84318535 UVTZBXCPFFNVFJ-CYBMUJFWSA-N 306.316 1.593 0 40 DDAB O=C(NCCC(=O)N1CCc2ccccc2C1)c1cnccn1 72405347 SRKHTJCJEWDXON-UHFFFAOYSA-N 310.357 1.181 0 40 DDAB CNC(=O)COc1ccc(C(=O)OCC2(C)COC2)cc1OC 60372885 MCODKYWSIDSALH-UHFFFAOYSA-N 323.345 1.013 0 40 DDAB CCN(C)CCNC(=O)NCc1ccccc1Cn1cccn1 95956112 VJMGEYHHUAULIM-UHFFFAOYSA-N 315.421 1.682 0 40 DDAB CC(C)CN1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961297 JLRGTPGMECTWJI-MRXNPFEDSA-N 319.453 1.189 0 40 DDAB CC[C@](C)(CC(=O)O)NC(=O)c1ccc(Cn2cccn2)o1 95970254 MGDKKDSWDSDCPT-OAHLLOKOSA-N 305.334 1.898 0 40 DDAB COc1cc(CN2CC[C@@H](NCc3ncc[nH]3)C2)cc(OC)c1 88755825 WNASOHLGYBIMFU-CQSZACIVSA-N 316.405 1.791 0 40 DDAB CN1CCN(CN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 20311143 XYKIPCCZIBVQDC-UKTHLTGXSA-N 318.402 1.323 0 40 DDAB CN(CCO)C1(CNC(=O)Nc2ccccn2)CCCCC1 75139419 NIEYRWLFEJSHIY-UHFFFAOYSA-N 306.410 1.830 0 40 DDAB O=C1CN(c2nccc(OCc3ccccc3)n2)CCN1C1CC1 89600634 FGOJLTGTWAQAQT-UHFFFAOYSA-N 324.384 1.867 0 40 DDAB CC(C)(C)NCCNC(=O)[C@H]1CCCN(CC(F)(F)F)C1 89661587 UOEFOSCYICULSY-NSHDSACASA-N 309.376 1.765 0 40 DDAB Cc1nccn1CCNC(=O)C(=O)NCCC1=CCCCC1 38717804 ZUPQUJHCJYXNCQ-UHFFFAOYSA-N 304.394 1.314 0 40 DDAB Cc1cc(CNC(=O)Cc2ccc(F)cc2)nc(N(C)C)n1 189935570 OMRAIHAXMDPJHX-UHFFFAOYSA-N 302.353 1.849 0 40 DDAB CC(C)(C)OC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 33678251 CHLOOSRSKMKBDP-GFCCVEGCSA-N 322.361 1.499 0 40 DDAB Cc1nccn1-c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 72355692 DIAOBIKZSKECHL-UHFFFAOYSA-N 320.418 1.715 0 40 DDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1Cl 30329348 RJMDPQQHJWNLKA-VIFPVBQESA-N 305.783 1.758 0 40 DDAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218531150 OZRFEMVEMOUZPJ-MELADBBJSA-N 317.838 1.975 0 40 DDAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 72242216 QMJRRFOXNVIUDV-ZBFHGGJFSA-N 319.380 1.119 0 40 DDAB COC[C@]1(C(=O)O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218003874 SBVVFARKJYGIJX-CMPLNLGQSA-N 304.751 1.603 0 40 DDAB COCCNc1cc(-c2noc([C@@H]3CCCN3C)n2)ccn1 35424549 BVZGQXIJEAQQLB-LBPRGKRZSA-N 303.366 1.957 0 40 DDAB biogenic,in-vitro CC(=O)N1CC[C@@H]1c1cc(NCCn2ccc(C)n2)nc(C)n1 72387074 IQOFDTPPGRLUDA-OAHLLOKOSA-N 314.393 1.695 0 40 DDAB NCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392832 RMHIZQHCPPOEIR-KBPBESRZSA-N 305.378 1.299 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2c(c1)OCCO2 47490435 JGBPZRPSGDBZBV-ZDUSSCGKSA-N 313.357 1.999 0 40 DDAB CCOC(=O)[C@@H](CC)Sc1nnc(N2CCOCC2)n1C 225440384 ZXRCYPVFYDCWML-SNVBAGLBSA-N 314.411 1.086 0 40 DDAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCCCCO2)c1C 329943243 WCPULUFSJJORPH-UHFFFAOYSA-N 312.391 1.509 0 40 DDAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1c1cccnc1 195570111 CFKUPICETBESGQ-UONOGXRCSA-N 324.446 1.857 0 40 DDAB Cc1ccccc1NC(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163182 NISPTRNMTMYKIW-UHFFFAOYSA-N 324.344 1.918 0 40 DDAB CS(=O)(=O)N[C@H](CC(=O)NC1CC1)c1ccc(F)cc1 225944896 IWZVLSVUTXSBKL-GFCCVEGCSA-N 300.355 1.085 0 40 DDAB NC(=O)CN[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 199430941 HBWYSCFQDSCZQL-QGZVFWFLSA-N 309.369 1.459 0 40 DDAB COc1ccccc1OC1CN(c2ncncc2C(=O)O)C1 95356430 PHBQJIDLYCBACD-UHFFFAOYSA-N 301.302 1.451 0 40 DDAB COCCN1CC[C@]2(CN(Cc3cccc(C)n3)C[C@H]2C)C1=O 96201657 RCFBNKCYPGWREU-RDTXWAMCSA-N 317.433 1.707 0 40 DDAB CC(=O)N1CCn2c(-c3ccccc3)cnc2C12CCNCC2 96144936 YIFQWLXDOXAXDB-UHFFFAOYSA-N 310.401 1.991 0 40 DDAB NC(=O)[C@@H]1CN(CCOc2cc(Cl)cc(Cl)c2)CCO1 96424166 PYWGTQIAXPEAAK-LBPRGKRZSA-N 319.188 1.558 0 40 DDAB c1cnc(N2CCO[C@H]3CN(Cc4ccsc4)C[C@H]32)nc1 96054427 IYDGHQSWSUXYQS-KGLIPLIRSA-N 302.403 1.628 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2cccc(F)c2O1 96426256 ZWBJDHSAQHFJQQ-STQMWFEESA-N 308.353 1.406 0 40 DDAB CN(C[C@H](O)C(F)(F)F)C[C@H]1CCCN1c1cccnn1 97378023 ITLXXIOFGUAGQX-MNOVXSKESA-N 304.316 1.300 0 40 DDAB Cn1ccc2c(C(=O)OC[C@H]3CCCN3C(N)=O)cccc21 96442198 XBPBVOCCFVKVNG-LLVKDONJSA-N 301.346 1.878 0 40 DDAB C[C@H](CS(C)(=O)=O)NC(=O)C1(Cc2ccccc2)CCC1 96462886 RZTSPGDHLURKLB-CYBMUJFWSA-N 309.431 1.949 0 40 DDAB CCOCCN[C@H](C(N)=O)c1ccc(Br)cc1F 96437002 YGLXICWXLXRXRZ-NSHDSACASA-N 319.174 1.741 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(Cc4nccs4)C3)C2=O)cn1 96050517 GHMBRLXLHJXRAJ-HNNXBMFYSA-N 317.418 1.506 0 40 DDAB CN1CC[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 96201957 FZIGEQXMADMQJY-QGZVFWFLSA-N 306.381 1.549 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 96219448 NGUNCXBJDSKYHW-DOMZBBRYSA-N 305.382 1.240 0 40 DDAB Cc1noc([C@@H](C)NS(=O)(=O)c2ccccc2)c1C(=O)O 96297055 BSARADMGKOUVBD-SECBINFHSA-N 310.331 1.721 0 40 DDAB biogenic,in-vitro CO[C@@H]1CN(C(=O)COc2ccc(F)cc2)Cc2ccnn2C1 247814034 AAVQBQXSTLWOAH-OAHLLOKOSA-N 319.336 1.458 0 40 DDAB O=C1CCCN1CC[C@H]1CCOC12CN(Cc1nccs1)C2 248009556 VDUXAADQXBFZDK-ZDUSSCGKSA-N 321.446 1.747 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1ccc(OC)cc1)C2 248103563 FJNPWLVCPWRDCA-CQSZACIVSA-N 318.417 1.878 0 40 DDAB COc1cc(OC)cc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)c1 257276514 NUBMSDMBVMNJNS-RDJZCZTQSA-N 321.373 1.460 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CCCN[C@@H]1C 343509354 IHMCMCDPKVDPMJ-YCPHGPKFSA-N 317.433 1.556 0 40 DDAB Cc1nc(O)cc([C@H]2CN(Cc3ccc(F)cn3)CCO2)n1 257229569 FYOVDWXOKQKMHK-CQSZACIVSA-N 304.325 1.598 0 40 DDAB CCOc1cc(N2CCC[C@@H]2CN2CCC[C@H]2CO)ncn1 253369666 GMRFPNJPXXEXLP-KGLIPLIRSA-N 306.410 1.301 0 40 DDAB CNc1cc([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)ccn1 257298699 RMXQPXWIRZCJBU-OAHLLOKOSA-N 318.421 1.162 0 40 DDAB Cc1nc(OCC(=O)Nc2nccs2)cc(-n2cccn2)n1 85471929 YZCKLQHPXCFONR-UHFFFAOYSA-N 316.346 1.445 0 40 DDAB CCC(=O)N1CCc2ccc(NC(=O)N3CCNC3=O)cc2C1 96120187 PIXQWJRNXVPMIX-UHFFFAOYSA-N 316.361 1.538 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2cnc[nH]2)CCO1 585277730 XIXRNLCPUZXDTD-KRWDZBQOSA-N 315.373 1.164 0 40 DDAB Cn1cnc(CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)c1 585269000 HBCNZEWOJSEEPX-KRWDZBQOSA-N 319.380 1.965 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2c2ncnc3c2cnn3C)n1 69454320 OJFKXAUAENEFQL-GFCCVEGCSA-N 312.381 1.241 0 40 DDAB C[C@H](O)CN1CCC(CN(C)Cc2cccc(C(N)=O)c2)CC1 69897184 LNJZLIXCNFUCKY-AWEZNQCLSA-N 319.449 1.310 0 40 DDAB C[C@@H](CC(=O)N1CCN(C[C@@H](C)O)CC1)c1ccccc1F 69980788 IWSGYRMVTMWBRR-UONOGXRCSA-N 308.397 1.844 0 40 DDAB c1ccc(-c2noc(CN3CCn4c(nnc4C4CC4)C3)n2)nc1 72268824 MYCQHICJZGRYEB-UHFFFAOYSA-N 323.360 1.616 0 40 DDAB CCn1c(C)nnc1SCCNC(=O)OCC(F)(F)F 78449076 JGEINHQQTCOVDI-UHFFFAOYSA-N 312.317 1.987 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)ccc2OC)C1=O 5006662 YQYVRJGYRJMVDA-UXBLZVDNSA-N 324.720 1.414 0 40 DDAB CCn1c(=O)n(CC(=O)NCc2cccs2)c2cccnc21 12117544 XTXOXRZOCZJXFG-UHFFFAOYSA-N 316.386 1.596 0 40 DDAB O=c1[nH]c(N2CCOCC2)nc2c1CN(C1CCCCC1)CC2 12144550 OXWKPSGZIFUVAL-UHFFFAOYSA-N 318.421 1.297 0 40 DDAB O=C([C@H]1CCCN1)N1Cc2ccccc2OC2(CCOCC2)C1 12337495 JJWDVQKCXCKJJK-OAHLLOKOSA-N 316.401 1.709 0 40 DDAB CSCC[C@H]1NC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 14138052 UQIUEFOXIDEXAW-SNVBAGLBSA-N 324.427 1.754 0 40 DDAB Cc1cc(C)nc(N2N=C(CSc3nncn3C)CC2=O)n1 17054289 CJRIXOZNLLIXFB-UHFFFAOYSA-N 317.378 1.107 0 40 DDAB C[C@@H](Cn1cnc2ccccc21)C(=O)NCCc1cnccn1 19457757 IDYWIXMPIHALBI-ZDUSSCGKSA-N 309.373 1.821 0 40 DDAB CCn1cc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cn1 19524991 FVTVUGKAVGATMP-UHFFFAOYSA-N 315.421 1.711 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)CC2CCCCC2)Cc2cn(C)nc21 19701212 GPBRLDAONMLUBJ-AWEZNQCLSA-N 318.421 1.562 0 40 DDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 225447025 CYSNXNCLPRYNBA-ZIAGYGMSSA-N 316.405 1.879 0 40 DDAB C[C@@H](C(=O)O)N1CC2(CCOCC2)Oc2ccccc2C1=O 19080798 CVDLHUHWODAZFM-NSHDSACASA-N 305.330 1.544 0 40 DDAB Cc1nnc2n1N=C(c1ccc3c(c1)NC(=O)CO3)CS2 6320501 ZUEDPWMLBVFZAV-UHFFFAOYSA-N 301.331 1.276 0 40 DDAB Cc1cc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)ncn1 1888847479 IGBCKJNPRPYIEZ-GJZGRUSLSA-N 322.368 1.406 0 40 DDAB O=C(NCCCn1cccn1)c1ccc2c(c1)OCCCO2 30169913 UUUBAMRLYVEYSO-UHFFFAOYSA-N 301.346 1.865 0 40 DDAB CCOC(=O)N1CCN(C(=O)CCc2c(C)noc2C)CC1 40460935 GSPLWJLIIUPCLQ-UHFFFAOYSA-N 309.366 1.525 0 40 DDAB Cc1ncnc(C(=O)N2C[C@H]3CCN(CC4CC4)C[C@H]3C2)c1C 1615603629 KKSSKSCIVYAIDY-CVEARBPZSA-N 314.433 1.897 0 40 DDAB Cc1noc(CN2CCN(c3nc(C)nc4c3CCC4)CC2)n1 2086946018 XGFAHNIMHSGLFZ-UHFFFAOYSA-N 314.393 1.287 0 40 DDAB COc1cc(OC)nc(N2CC(Cn3ccnc3C(C)C)C2)n1 2087130850 GHLQSGTVHXHDMT-UHFFFAOYSA-N 317.393 1.950 0 40 DDAB O=C(NC1CCC1)[C@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055716072 WSIORJHFHBUWBM-LBPRGKRZSA-N 316.405 1.350 0 40 DDAB Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(N)=O)c(=O)c21 22768097 JRKYJXRNBLRBJR-UHFFFAOYSA-N 323.356 1.253 0 40 DDAB COc1ccccc1C(=O)N1CC(Cn2nc(C)ccc2=O)C1 1775967641 ZFKDRCISGPRWIG-UHFFFAOYSA-N 313.357 1.333 0 40 DDAB Cc1nc2c(c(N3CCn4c(nnc4C(F)(F)F)C3)n1)CCC2 2298028263 LADBMSHFVFNKNV-UHFFFAOYSA-N 324.310 1.904 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c(C)c1 15465413 RZECEAYIQWSMTA-CABCVRRESA-N 316.401 1.952 0 40 DDAB COc1ccc(OCCSCC(=O)N2CCNC2=O)cc1 50250034 DUHHIPQGIYIITO-UHFFFAOYSA-N 310.375 1.359 0 40 DDAB O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCC[n+]1ccccc1 100587383 KAJVHSYIMJGDTK-UONOGXRCSA-N 305.785 1.882 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCCN(c2cnccn2)C1 31401250 SLYRPBVCJBPPCM-ZIAGYGMSSA-N 314.393 1.094 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cc(C)on2)c1C 31658393 RILWEWOFBLXCAO-UHFFFAOYSA-N 305.334 1.987 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 20475488 OOIREHOPLOJCKQ-JTQLQIEISA-N 319.224 1.561 0 40 DDAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCSCC1 40542008 UYCTUTRJAJTABB-UHFFFAOYSA-N 305.359 1.079 0 40 DDAB CS(=O)(=O)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 40543744 ZZNTWECPXZXIFT-UHFFFAOYSA-N 323.374 1.120 0 40 DDAB CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1Cl 241882 PPLGSGJSEXULCB-UHFFFAOYSA-N 316.810 1.728 0 40 DDAB COC(=O)c1ccc(Cn2ncc(Cl)c(Cl)c2=O)o1 3514550 PBZAGGKQIBBGEW-UHFFFAOYSA-N 303.101 1.978 0 40 DDAB Cc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1 4131201 MJEHTQZYZZULLB-UHFFFAOYSA-N 315.417 1.648 0 40 DDAB O=C(CC[C@H]1CCCO1)NCCc1nnc2n1CCCCC2 46330663 HAIKZXAWQOABSZ-CYBMUJFWSA-N 306.410 1.622 0 40 DDAB COc1ccc(C2=NC[C@@H](CSc3nnnn3C)S2)cc1 2659534 YPXDYYIFQHURJK-NSHDSACASA-N 321.431 1.873 0 40 DDAB O=C1O[C@H]2CC[C@@H]3[C@H]2[C@@H]2[C@@H]4[C@H]5[C@@H]6[C@H]7CC[C@H]8OC(=O)[C@]([C@H]5[C@@H]87)([C@H]34)[C@]162 104285523 QJPJBOJVIXYGHB-RCNLQWBXSA-N 324.376 1.628 0 40 DDAB O=C(/N=c1/sccn1Cc1ccccc1)[C@H]1COCCO1 102395203 CTZHHCHVYYFTHZ-UWZWCOGJSA-N 304.371 1.441 0 40 DDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccnc2)c1 105778949 YFFMRVUISSZEDE-UHFFFAOYSA-N 306.343 1.977 0 40 DDAB FC(F)(F)c1nc2nccn2nc1-n1nnc2ccccc21 8782869 YEORZRSHCCTYMY-UHFFFAOYSA-N 305.223 1.877 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CC(=O)N(Cc2ccccc2)C1 32990968 XLELHJBEEQQISD-NSHDSACASA-N 300.280 1.714 0 40 DDAB Cc1c(CNC(=O)c2nc(-c3ccc(F)cc3)no2)cnn1C 2733052 GSFJNXYQFXJHEE-UHFFFAOYSA-N 315.308 1.848 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccn(C)c(=O)c1 28431466 WDENWEAKDUKOHM-UHFFFAOYSA-N 314.341 1.429 0 40 DDAB O=C(Cc1cc2ccccc2[nH]c1=O)/N=c1\[nH]nc2ccccn12 47090536 PFPJQHIXMNJUNR-UHFFFAOYSA-N 319.324 1.174 0 40 DDAB Cc1cnc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cn1 22699681 NNRIINYATJEGOQ-UHFFFAOYSA-N 324.384 1.820 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCCN1CCCCCC1=O 22620175 FHTCFVDGVXEABS-UHFFFAOYSA-N 320.437 1.488 0 40 DDAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)c1ccccn1 47620041 NUMAPOHJNIYZJZ-NSHDSACASA-N 315.358 1.592 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCCCC1 102803217 NQLOWZDPHFOGAJ-LWWSYDQCSA-N 302.374 1.242 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 24051011 CWODTUDHGUUTMU-LLVKDONJSA-N 317.432 1.511 0 40 DDAB COc1ccccc1CN1CC[C@@H]2OCCN(C(C)=O)[C@H]2C1 108532001 UDRVNRQFQHBVJG-RDJZCZTQSA-N 304.390 1.517 0 40 DDAB O=S(=O)(N[C@@H]1CN2CCC1CC2)c1ccc(Cl)cc1 7989878 WVENYHDREYRFDY-CYBMUJFWSA-N 300.811 1.713 0 40 DDAB Cc1ccccc1CN1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 106918649 OVCAPQVPRJVZPO-PBHICJAKSA-N 301.390 1.805 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@]1(C(=O)O)CCSC1 43510131 GNKNNGJYNGHCSO-OTYXRUKQSA-N 313.350 1.670 0 40 DDAB COc1ccc(N(CCO)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cn1 107336864 MSNPHHCDQRMOAJ-OBJOEFQTSA-N 321.446 1.952 0 40 DDAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(C)c1 35737946 SUGMCZRKTYMWQC-UHFFFAOYSA-N 309.347 1.482 0 40 DDAB O=C(CN1CC[C@@H]2CCCC[C@H]2C1)N[C@@H]1CCCCNC1=O 48009342 FVNLALIPWIHANS-SOUVJXGZSA-N 307.438 1.283 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCCNC2=O)cc1 58202860 JTIDDEJYSXFHCJ-CQSZACIVSA-N 318.373 1.443 0 40 DDAB O=C(CCNc1ncccn1)N1CCN(c2nccs2)CC1 44936427 IMKZGSHMAWQRKJ-UHFFFAOYSA-N 318.406 1.084 0 40 DDAB CS(=O)(=O)Nc1ccccc1CNC(=O)C[C@H]1CCCO1 44943278 ZVPJANLOARQESB-GFCCVEGCSA-N 312.391 1.243 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@H]1CCN2CCCC[C@H]12 44968882 PWSUSBJBSHJKAR-LSDHHAIUSA-N 318.421 1.906 0 40 DDAB C[C@H]1COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 44912293 SRTIBHVLJNAPIZ-JTQLQIEISA-N 307.375 1.978 0 40 DDAB COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1COc2cc(OC)ccc2C1 58403372 BCCFDKVDTXQIAZ-YPMHNXCESA-N 321.373 1.514 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 36389885 OTSNYVXPOFDODW-UHFFFAOYSA-N 308.382 1.075 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCCCN3CCCC3)nc2n1 48325711 GWQFNUAJSPMQDZ-UHFFFAOYSA-N 316.409 1.347 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc2c1CCCC2 12864132 NCEHNASOTWBGTE-OAHLLOKOSA-N 322.430 1.928 0 40 DDAB O=C1[C@H]2CCCN2C(=O)N1CC(=O)N1CCCc2ccccc21 12884912 ZZRACXYWSKQPOO-CQSZACIVSA-N 313.357 1.392 0 40 DDAB CC[C@H]1CN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CCO1 12863863 LDGGEUUFDSMOJK-UYJPIKCFSA-N 309.410 1.555 0 40 DDAB O=C(Nc1cccc(-c2noc(=O)[nH]2)c1)c1cn2cccnc2n1 69777692 QLUBKVAEDGTRHK-UHFFFAOYSA-N 322.284 1.325 0 40 DDAB COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)nc2onc(C)c12 69352052 MQTAGMMNBMPARC-MRVPVSSYSA-N 305.334 1.721 0 40 DDAB CC(C)Cc1nc(CN2CCO[C@@H](Cn3cccn3)C2)no1 69392307 VWFAKDXCPMPJHQ-CYBMUJFWSA-N 305.382 1.366 0 40 DDAB Cc1ccccc1C1CCN(S(=O)(=O)N2CCOCC2)CC1 69322931 GJEYBGXQNSHAHF-UHFFFAOYSA-N 324.446 1.751 0 40 DDAB CNC(=O)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 4051850 QUIPMCDJRFFKGK-GOSISDBHSA-N 301.780 1.718 0 40 DDAB CC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F 4192781 ODZKPFXBDSJFNH-KHQFGBGNSA-N 308.281 1.558 0 40 DDAB O=C(CN1CCCN2CCC[C@@H]2C1)NCCCc1ccccc1 64571237 OAEGDPPQTNLMJM-GOSISDBHSA-N 315.461 1.906 0 40 DDAB COC(=O)c1ccc2c(=O)n(C[C@H](C)O)c(SC)nc2c1 6003248 KZIJPSBOAXAHDA-QMMMGPOBSA-N 308.359 1.286 0 40 DDAB COc1ccc(CCNC(=S)N2CCC(C(N)=O)CC2)cc1 13879027 RAKSVCYJUWFTER-UHFFFAOYSA-N 321.446 1.310 0 40 DDAB COCCOc1cccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1 69456482 DKPKJELDCQKJAB-AWEZNQCLSA-N 318.417 1.926 0 40 DDAB CC(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC3)s1 65411537 GPAHYMARMMBTQX-UHFFFAOYSA-N 304.375 1.761 0 40 DDAB Cc1cc2ncc(CNCc3ccc(-n4cncn4)nc3)cn2n1 65492297 SPFLKBIHXHJCSU-UHFFFAOYSA-N 320.360 1.303 0 40 DDAB COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@H](C(N)=O)C1 65478351 WYZVXRMCBJBNIK-DGXRNCNBSA-N 308.765 1.696 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)s1 65536828 IITDEGQXGOZWDG-JTQLQIEISA-N 322.839 1.547 0 40 DDAB COc1ncnc2c1CN(C[C@@H](O)c1cccc(F)c1)CC2 65584934 RHYDHNLCFYJUAV-OAHLLOKOSA-N 303.337 1.716 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCN2CCN(C)CC2)o1 65592821 WSWGPXSGMFJTPF-WQDDEOEWSA-N 317.433 1.780 0 40 DDAB CCNC(=O)NC(=O)CN1CCC(C(=O)c2ccccc2)CC1 14320603 CCWFBQZKSHOVRA-UHFFFAOYSA-N 317.389 1.427 0 40 DDAB Cc1cccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)n1 69557617 SVHVSIOYKRJCPD-UHFFFAOYSA-N 321.340 1.927 0 40 DDAB Cc1cc(NCC(=O)OC(C)C)n2nc(C(F)(F)F)nc2n1 69586666 MFBHQHCGSZMWQP-UHFFFAOYSA-N 317.271 1.815 0 40 DDAB C[C@@H](O)CN1CCC(CN[C@H](C)c2nc(C3CC3)no2)CC1 69511561 UFFDBCISTWLMAM-VXGBXAGGSA-N 308.426 1.690 0 40 DDAB CCCC(=O)OCC(=O)NCCc1ccc(OC)c(OC)c1 5782299 NWZLKUQANADAPK-UHFFFAOYSA-N 309.362 1.706 0 40 DDAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 4988551 SBCYMPSCDLAGIO-NSHDSACASA-N 306.362 1.186 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(=O)n(C)n2)c1 7007389 ILCYMFYSMHWCLE-UHFFFAOYSA-N 301.302 1.128 0 40 DDAB CCC(=O)Nc1cc(O)nc2nc(-c3ccc(OC)cc3)nn12 8970084 PQCMMBWKBYNZMW-UHFFFAOYSA-N 313.317 1.854 0 40 DDAB C[C@H]1CNCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 94345792 IZUXPLKGTFFIKG-JOYOIKCWSA-N 322.352 1.982 0 40 DDAB OCCSc1nnc(N2CCOCC2)n1-c1ccccc1 9112025 KSYQKSIWAZHCQK-UHFFFAOYSA-N 306.391 1.188 0 40 DDAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 9721948 NZGXZMLTWAOIJJ-LBPRGKRZSA-N 313.405 1.874 0 40 DDAB Cn1ccnc1N1CCN(C[C@H](O)c2ccccc2Cl)CC1 89926412 JTNQKAUGEMRWSX-HNNXBMFYSA-N 320.824 1.929 0 40 DDAB COCCN1[C@H](C)CN(Cc2ccc([S@](C)=O)cc2)C[C@H]1C 93479262 YOTRDVUBEUOPNH-DOQJBMMISA-N 324.490 1.965 0 40 DDAB CSc1ccc(NC(=O)CN2CCCC[C@@H]2C(N)=O)cc1 9501233 SAMQSSVBLAUAGF-CYBMUJFWSA-N 307.419 1.687 0 40 DDAB Cc1ccoc1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 71841573 IIXJFOQOKQSHMP-LBPRGKRZSA-N 304.321 1.801 0 40 DDAB Cc1c[nH]cc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 71811799 AZEXSEWFQFVPEM-UHFFFAOYSA-N 302.378 1.886 0 40 DDAB COc1ccccc1C[C@H](C)NC(=O)N1CC[C@@H](C(N)=O)C1 71819724 QRFZYLZGBIIZBQ-WCQYABFASA-N 305.378 1.143 0 40 DDAB COc1cc(Cl)ccc1C(=O)N1CCN(C[C@@H](C)O)CC1 71871410 ALDBXQSYAIEKJT-LLVKDONJSA-N 312.797 1.487 0 40 DDAB C[C@@H]1CN(C(=O)C(=O)NC[C@H](O)C2CCCC2)c2ccccc21 72287742 LFIBHJFKDSYUAK-WBMJQRKESA-N 316.401 1.804 0 40 DDAB Cc1nccn1CCCNC(=O)c1cc2c([nH]c1=O)CCC2 84290906 KTVHEYSFAGQYIL-UHFFFAOYSA-N 300.362 1.189 0 40 DDAB CC(C)OCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 76852066 FGMSQLMPGVCYLV-OAHLLOKOSA-N 320.389 1.902 0 40 DDAB CS(=O)(=O)Nc1cccc2c1CCCN2CC(=O)NC1CC1 77169154 JDBMMOUWZVSGAF-UHFFFAOYSA-N 323.418 1.089 0 40 DDAB O=C([C@H]1COc2ccccc21)N1CCC[C@@H]1CN1CCOCC1 78933389 FQXJQHLMJPXCJM-ZBFHGGJFSA-N 316.401 1.486 0 40 DDAB COc1cccc2c1OC[C@@H](Nc1cn[nH]c(=O)c1Cl)C2 95349189 ZRNJGZFSQTWTHG-VIFPVBQESA-N 307.737 1.848 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCC(OCCCO)CC1 79095407 BMSOIKVLRVZOGH-UHFFFAOYSA-N 311.353 1.838 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)C1CC1 84823041 MFBVRSNIFZBZPT-OAHLLOKOSA-N 313.357 1.944 0 40 DDAB CCc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 98010427 XHAZVCYRENKNDU-HNNXBMFYSA-N 312.373 1.518 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)NC(N)=O 88282445 WHOULRXBRSXGDA-DGCLKSJQSA-N 304.394 1.300 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C(=O)O)c(C)c1 88376912 JBNGELCRKGXHGB-LBPRGKRZSA-N 313.375 1.086 0 40 DDAB C[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 95975098 TVBNRNPZWZALCC-MRVPVSSYSA-N 320.773 1.129 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(c3ncnc4ccccc34)CCO2)n1 75128646 INDVLAYWBIYKIV-CQSZACIVSA-N 324.388 1.744 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCC(N2CCN(C)C2=O)CC1 75131547 BSPFWSTXKCPUSR-LLVKDONJSA-N 319.409 1.840 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@@H](O)c1ccccc1C)C1CCCC1 89689184 HFBAGNSGMZTVGU-SJORKVTESA-N 318.417 1.840 0 40 DDAB COc1cccc2c1OCC(=O)N(c1ccc(C(N)=O)cc1)C2 65184492 PYEXAPKGURAXSS-UHFFFAOYSA-N 312.325 1.720 0 40 DDAB C[C@H](c1cnn(C)c1)N(C)c1cc(N2CCOCC2)ncn1 302858493 SYKYWAFPECVVQO-GFCCVEGCSA-N 302.382 1.244 0 40 DDAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccncc2)cc1 30863974 HRBJSZDAOCOIGQ-UHFFFAOYSA-N 320.370 1.488 0 40 DDAB CC(C)c1nnc(Cn2c(-c3ncccn3)noc2=O)s1 530104706 QJMRQIMTEFIKPC-UHFFFAOYSA-N 304.335 1.317 0 40 DDAB CC(C)(C)OC(=O)N(C[C@@H]1CCCCN1C(=O)CN)C1CC1 79409386 PTSPDCKVUZEZOX-ZDUSSCGKSA-N 311.426 1.726 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(N)CO)cc1 218050579 JXBFZNILVDCIJW-BBWFWOEESA-N 317.410 1.625 0 40 DDAB Cc1nc(N2CCN(C=O)CC2)ccc1[C@H](O)c1ccccc1 72224728 MXHJYVQENVWSFR-GOSISDBHSA-N 311.385 1.750 0 40 DDAB Cn1cc(OCC(=O)N2CCC[C@H]2COc2ccccc2)cn1 565757606 ZUJWVKGFZCMFEE-AWEZNQCLSA-N 315.373 1.869 0 40 DDAB Cc1csc(C(C)(C)NCC(=O)NCc2cccnc2)n1 72663139 ROPGSMBRWLIXLW-UHFFFAOYSA-N 304.419 1.988 0 40 DDAB CS(=O)(=O)N(Cc1ccccc1)Cc1ncc(C(=O)O)cn1 49468360 HDKDXCNEOXZLGF-UHFFFAOYSA-N 321.358 1.137 0 40 DDAB O=C(NCCN1CCCC1)c1nnc2ccc(Cl)cc2n1 46088519 LQYDFBYOAGTNCA-UHFFFAOYSA-N 305.769 1.504 0 40 DDAB CC1(C)CN(C(=O)c2cccc(-n3cccn3)n2)CC[S@@]1=O 88206198 HKHKJOMAJDRMRE-JOCHJYFZSA-N 318.402 1.250 0 40 DDAB CN(C)CCn1ccc(NC(=O)Nc2cnc(C3CC3)nc2)n1 191397540 JBMKRTGTKOYIMQ-UHFFFAOYSA-N 315.381 1.756 0 40 DDAB O=C(Cc1ccsc1)NCCn1cnc2ccsc2c1=O 225776367 CCEYNLAWXIJCIU-UHFFFAOYSA-N 319.411 1.878 0 40 DDAB CCOC1CC(CN=c2[nH]c(C)ncc2C)(N2CCOCC2)C1 572497154 DSLFQEYQISAHPI-UHFFFAOYSA-N 320.437 1.197 0 40 DDAB C[C@@H]1COCCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 96406892 MXALHMVJRNTMAO-GFCCVEGCSA-N 309.385 1.818 0 40 DDAB O=C1NCCN(C(=O)c2ccncc2)[C@@H]1CC1CCCCC1 333462644 GUDAJLILVDYITK-OAHLLOKOSA-N 301.390 1.993 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)C(=O)N1Cc2ccccc2C1 331926248 KQTAKVWOHXQFDN-HZSPNIEDSA-N 316.401 1.849 0 40 DDAB CSCC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 96445602 WQLLOPIVIOJCEE-UHFFFAOYSA-N 320.458 1.947 0 40 DDAB Cc1cnnn1C[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccco1 96082645 MXKSDDDDRZCLNT-GZBFAFLISA-N 316.361 1.499 0 40 DDAB COC[C@@H](C)S(=O)(=O)N(C)Cc1nc2ccccc2n1C 96428268 WSGXKUDFXSBKHM-LLVKDONJSA-N 311.407 1.370 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048419 LIEPDLUKDVOHLK-SWLSCSKDSA-N 305.382 1.194 0 40 DDAB CN(C)C(=O)CC1CCN(C(=O)NCc2ccn(C)c2)CC1 96500542 IPAJBXIEDLMXJT-UHFFFAOYSA-N 306.410 1.425 0 40 DDAB O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96161675 KCOBOJGVVMUZAE-BETUJISGSA-N 315.402 1.137 0 40 DDAB COc1ccc2cccc(CC(=O)NCC[S@](C)=O)c2c1 95435963 TVQWXAFYLJGDNH-OAQYLSRUSA-N 305.399 1.886 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC1=CCCCC1 96454868 URAVKAIYYUGJOL-CYBMUJFWSA-N 300.424 1.417 0 40 DDAB CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCNCC2 96260477 ONWCPDCVCAVTBX-UHFFFAOYSA-N 302.422 1.826 0 40 DDAB CCS(=O)(=O)N1CCC2(CCN(c3ncccn3)CC2)CC1 96158475 OAYZCKKGYWAQLJ-UHFFFAOYSA-N 324.450 1.509 0 40 DDAB COCCC(=O)N1CCC[C@]2(CCC(=O)N2CCOC)CC1 96217834 CFFXWGQEMGQWQH-INIZCTEOSA-N 312.410 1.043 0 40 DDAB c1ccc(N2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96226459 ZISNDCUQJPVWOU-KRWDZBQOSA-N 311.389 1.747 0 40 DDAB COC[C@@H]1CN(Cc2cccnc2OC)Cc2ncn(C)c21 96068370 VGTYMWFHKXDKQE-ZDUSSCGKSA-N 302.378 1.570 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(CC(=O)O)C[C@@H]12 96251877 KXRUAISDNPUQLC-NVXWUHKLSA-N 302.374 1.336 0 40 DDAB O=C(CC1CCCC1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96110957 WZKVHPZCWZAJRS-AEFFLSMTSA-N 322.449 1.374 0 40 DDAB CCCCNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 243787529 QIWNIJJTFVMKFJ-UHFFFAOYSA-N 316.398 1.504 0 40 DDAB O=C1OC2(CCOCC2)CN1c1cnc([C@H]2CCCN2)cn1 257216987 CWZYNABLRJVQGP-LLVKDONJSA-N 304.350 1.407 0 40 DDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H]1CCc1ccncc1 257285981 PJQYVNXSWRFPDC-CYBMUJFWSA-N 306.391 1.591 0 40 DDAB C[C@H]1CCCCN1Cc1nnc(CN2CCCC[C@@H]2C)n1N 260571834 DROOCPPBMWYJOT-KBPBESRZSA-N 306.458 1.741 0 40 DDAB Cc1c(C(=O)Nc2cnn(CC(=O)O)c2)oc2c1C(=O)CCC2 647745684 LPKGYPYHFAOMDC-UHFFFAOYSA-N 317.301 1.640 0 40 DDAB Cc1ccc(F)c(-c2cc(NC(=O)[C@@H]3COCCN3C)n[nH]2)c1 390835554 QNSGSQONVZQREW-AWEZNQCLSA-N 318.352 1.793 0 40 DDAB Cc1cnc([C@H]2COCCN2C(=O)CCCn2ccnc2)[nH]1 585181444 BJFKTVYTQJPWDF-CYBMUJFWSA-N 303.366 1.295 0 40 DDAB Cc1noc(C)c1CN1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093167 GPOXTZSRQSGTKQ-AWEZNQCLSA-N 313.348 1.981 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)c2ccnc(-n3cncn3)c2)no1 53797532 TXSWFQRUZXVGJP-AWEZNQCLSA-N 324.344 1.936 0 40 DDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc[nH]c3=O)cn2)n1 53995797 ZXVDRRONKJLRPE-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)NCc2ccco2)c1 70040089 KVXBJNAFUUSJFE-CQSZACIVSA-N 302.378 1.565 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125399 LKEUCAUISORDRL-NSHDSACASA-N 312.329 1.650 0 40 DDAB O=C(c1ccccc1Cl)N1CCN(C[C@@H](O)C2CC2)CC1 85436618 IPFIZHOJXWPKJT-OAHLLOKOSA-N 308.809 1.869 0 40 DDAB c1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1 1776009364 XIOFBFYVOAYWPG-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB C[C@@](CN)(NS(=O)(=O)c1cccc(Cl)c1F)C1CC1 95972371 VEMOAUGODYHPGN-LBPRGKRZSA-N 306.790 1.885 0 40 DDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 3240386 RHDIPJSTOJGGQY-NSHDSACASA-N 303.767 1.666 0 40 DDAB CCn1ncc(Br)c1C(=O)N[C@H](C)[C@@H]1CCCO1 2779131 QZZPTTRQEPMMOJ-SCZZXKLOSA-N 316.199 1.963 0 40 DDAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCCCC2)c1=O 12146712 LQVKJZSIQBUSPB-UHFFFAOYSA-N 318.402 1.567 0 40 DDAB CC(C)(C)c1ccc(C(=O)Nc2cnc3nc[nH]n3c2=O)cc1 14291654 ZUOUTPSZJCMRTP-UHFFFAOYSA-N 311.345 1.967 0 40 DDAB CCc1cc2c(cc1C(=O)CCN1CCOCC1)OCCO2 19204622 UKYHEFLMKXBBSO-UHFFFAOYSA-N 305.374 1.925 0 40 DDAB CCCCNc1ccccc1C(=O)OCC(=O)N1CCNC1=O 4247560 DOHYEIKIPNGXHM-UHFFFAOYSA-N 319.361 1.607 0 40 DDAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 16553876 QXHNFVIWOPSDNH-QMMMGPOBSA-N 324.362 1.974 0 40 DDAB COc1ccccc1-c1cc(C(=O)NCC(OC)OC)n[nH]1 1889038762 NODDTPYINFOOMY-UHFFFAOYSA-N 305.334 1.434 0 40 DDAB CC(C)c1nnc(N2CCO[C@@H](C(=O)N3CCCC3)C2)s1 1889101402 REAQTVCWVVGFTG-LLVKDONJSA-N 310.423 1.489 0 40 DDAB COc1cc(C)c(CSCCN2C(=O)CNC2=O)cc1OC 23079118 DKENHEOYSOCETL-UHFFFAOYSA-N 324.402 1.797 0 40 DDAB Cc1cc(N2CCC[C@H](CO)C2)n2nc(C(F)(F)F)nc2n1 26691382 ZBPVMSHKSIHQAK-VIFPVBQESA-N 315.299 1.660 0 40 DDAB Cn1cnc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)c1 2037601920 ZGOQFEDVFGULEB-AWEZNQCLSA-N 323.404 1.775 0 40 DDAB COc1ccnc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 9571614 WYKMXCYUMIODMH-UHFFFAOYSA-N 315.304 1.291 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)NC1CCCCC1 40498722 AFOMGUZFWBJMKB-UHFFFAOYSA-N 314.407 1.655 0 40 DDAB Cc1cc(C)cc(OCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 40496989 ZZXAVZXRIAKYDH-ZDUSSCGKSA-N 311.403 1.376 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CC2 40506209 OQMTVWFCVMKTKQ-CYBMUJFWSA-N 318.373 1.067 0 40 DDAB CNC(=O)CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 40528935 ICWCFUXTMUJARF-UHFFFAOYSA-N 312.322 1.142 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CN2CCSC2=O)n1 40541165 SOHHIWSGGGQKIE-SNVBAGLBSA-N 310.423 1.421 0 40 DDAB CCN(CC)C(=O)[C@H]1C(=O)N[C@@]2(C)C[C@@H]1c1ccccc1O2 488160 IQBBFZAIYZOIHP-SUYBPPKGSA-N 302.374 1.883 0 40 DDAB COCCOCCNS(=O)(=O)c1cc(F)c(F)cc1F 69632104 GBWVFKNMIKDSSC-UHFFFAOYSA-N 313.297 1.045 0 40 DDAB Cc1cnn(C[C@@H](C)NCC(=O)Nc2ccnn2C(C)C)c1 70040846 CQEMNZUOZCENPA-CYBMUJFWSA-N 304.398 1.586 0 40 DDAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 208153 LOXNFSABFXGNQL-UHFFFAOYSA-N 320.374 1.934 0 40 DDAB O=C(CN1CCOC1=O)N1CCC[C@H](OCc2ccccc2)C1 20910413 ATIFFZZQFGFJOQ-HNNXBMFYSA-N 318.373 1.646 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCCCC1 4317047 YIFTXFLFHAROCR-UHFFFAOYSA-N 307.419 1.753 0 40 DDAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCO1 21202826 UWCXVROGGIIFMN-HNNXBMFYSA-N 302.374 1.718 0 40 DDAB Cc1c(NC(=O)C2=COCCO2)c(=O)n(-c2ccccc2)n1C 21343429 MCUUBMKJMHFLEY-UHFFFAOYSA-N 315.329 1.311 0 40 DDAB CC[C@H](C(=O)Nc1ccccn1)n1nnc2ccccc2c1=O 6659809 QCPOSUMKWFKQTI-CYBMUJFWSA-N 309.329 1.776 0 40 DDAB C[C@H]1CCCN(C(=O)Cn2c(=O)n(C)c(=O)c3sccc32)C1 6679622 QSZSGCHSDDZXSR-JTQLQIEISA-N 321.402 1.020 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)Cn1nnc2ccccc2c1=O 7778282 BZXNIXFSADUOTL-UHFFFAOYSA-N 324.340 1.610 0 40 DDAB C[C@H]1CCC[C@@H](NC(=O)NC(=O)CN2CCO[C@H](C)C2)[C@H]1C 103434745 VVDRXZYBBATMFL-RFQIPJPRSA-N 311.426 1.358 0 40 DDAB C[C@@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 24775720 JXLJFPBJRCJWGL-AWEZNQCLSA-N 324.446 1.674 0 40 DDAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1(C)C 25148331 ZJCYJBVNFQXUAF-NWDGAFQWSA-N 319.405 1.425 0 40 DDAB CCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1N 1425193 GRPZDQBJAHUZBL-UHFFFAOYSA-N 304.375 1.737 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 100634626 JMMVFEXMFJPKAO-WFGGJUAMSA-N 319.744 1.799 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C[C@@H](C)O1 47615246 RQRXBUGZVASIPC-HZSPNIEDSA-N 317.389 1.066 0 40 DDAB CCCc1cc(C(=O)N2CCN(Cc3cc(C)on3)CC2)[nH]n1 47615474 RRZQGAMQCKBANR-UHFFFAOYSA-N 317.393 1.617 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 56156894 JQVVNRWQXWFPDO-VXGBXAGGSA-N 307.394 1.969 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1N1CCOCC1 107354644 CDVDLGJRAZOMOS-RRFJBIMHSA-N 306.410 1.013 0 40 DDAB Cc1occc1CN(C)S(=O)(=O)c1ccc(C(N)=O)cc1 57010890 GLHZSFIVLSDAAH-UHFFFAOYSA-N 308.359 1.508 0 40 DDAB CN1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)Cc2ccccc21 108356252 ZIJMOEKKCAIGRO-IIAWOOMASA-N 301.390 1.968 0 40 DDAB Cc1cccc(C2(CNC(=O)[C@@H](C)NC(N)=O)CCCC2)c1 69775675 JINYBGVCNVMFEA-CYBMUJFWSA-N 303.406 1.980 0 40 DDAB CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](CC)OC)CC2)cc1 58156110 MEENFOZWABCTCK-MRXNPFEDSA-N 318.417 1.958 0 40 DDAB COCCNc1nn2c(=O)cc(-c3ccccc3)nc2s1 44974149 XAUXIAFPGGLHLF-UHFFFAOYSA-N 302.359 1.876 0 40 DDAB O=C(Nc1nc[nH]n1)c1nc(N2CCCCC2)ncc1Cl 44977208 LQOROVJDFKPRNT-UHFFFAOYSA-N 307.745 1.491 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NCc1cccnc1N(C)C 44969342 AUARAQDCCPNQGN-UHFFFAOYSA-N 302.382 1.223 0 40 DDAB O=C(NCc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 28065686 WJXYGWZOJXIZMC-MRXNPFEDSA-N 316.401 1.720 0 40 DDAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1(C)C 58403966 NELQSQWTJFAOAC-STQMWFEESA-N 314.451 1.329 0 40 DDAB COCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12794332 MJVARGIBJASZTH-BQYQJAHWSA-N 316.401 1.701 0 40 DDAB COc1ccc([C@H](C)NC(=O)NCc2cc[nH]n2)c(OC)c1 48260377 HGLGVRFCQPHPOZ-JTQLQIEISA-N 304.350 1.987 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)Nn2cnc3ccccc32)c1 12898660 ADUGDUNRMZMELH-UHFFFAOYSA-N 315.354 1.824 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 12984621 ASSYVXKOJBFSMK-HOCLYGCPSA-N 315.417 1.734 0 40 DDAB CCOC(=O)c1cn(NC)c2c(F)c(F)c(F)cc2c1=O 38242745 TYLIDSWDHUJJNT-UHFFFAOYSA-N 300.236 1.769 0 40 DDAB Cc1ccc(C(C)(C)CNC(=O)CCNS(C)(=O)=O)cc1 69591069 ZCKXXFKOJMVGFP-UHFFFAOYSA-N 312.435 1.328 0 40 DDAB CCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4045358 FBZKDTTWVGSKCQ-SWLSCSKDSA-N 302.330 1.373 0 40 DDAB biogenic NC(=O)c1csc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1 69870958 WQMMZAWQTITKHL-NSHDSACASA-N 304.375 1.521 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCCN(C)C1)C2 64657030 QAMQHDZULQGTJB-ZIAGYGMSSA-N 304.390 1.457 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1cccnc1 69902542 FSFVZGHOGLMSOZ-HOTGVXAUSA-N 316.405 1.495 0 40 DDAB O=C1CS[C@@]2(CCS(=O)(=O)C2)N1c1ccc(F)cc1 5183018 GPGPDJWBAMSRFG-GFCCVEGCSA-N 301.364 1.420 0 40 DDAB O=C([C@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)N1CCCC1 110592367 IMIQHTVKCZTZBJ-LXTVHRRPSA-N 306.406 1.557 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCn3c(nc(C)c3C)C2)no1 65474454 GIIQUFSVVBPCDI-GFCCVEGCSA-N 303.366 1.639 0 40 DDAB CC[C@@](C)(NC(=O)/C=C/c1ccc(C(=O)NC)cc1)C(=O)OC 65586673 RKDIOEXWUHFNNH-VGMNTSGFSA-N 318.373 1.517 0 40 DDAB C[C@H](NC(=O)NCCc1nccs1)C(=O)N1CCCC[C@@H]1C 65550838 OIKFONFFAYHKJD-RYUDHWBXSA-N 324.450 1.774 0 40 DDAB COc1cccc([C@@H](CNc2ccc3nnnn3n2)N(C)C)c1 14254752 GSYPFIXIRYCFJA-CYBMUJFWSA-N 313.365 1.243 0 40 DDAB COC(=O)[C@@](O)(c1ccc(N)c2ncccc12)C(F)(F)F 4622855 KJWQDDIXCXBRAH-LBPRGKRZSA-N 300.236 1.740 0 40 DDAB Nc1nc(COC(=O)c2ccc(O)cc2O)nc2ccccc12 18333616 WFHAWPGGHFJWOZ-UHFFFAOYSA-N 311.297 1.980 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc[nH]1 6779094 SNEKKQOSFQUDBP-NSHDSACASA-N 300.314 1.559 0 40 DDAB Cc1noc(C)c1CNS(=O)(=O)c1ccc2c(c1)OCCO2 61997195 YMEPSFFOEOBXCT-UHFFFAOYSA-N 324.358 1.541 0 40 DDAB C[C@H](COCC(F)(F)F)NC1=NS(=O)(=O)c2ccccc21 67507728 MDJUXXBYYQIUQF-MRVPVSSYSA-N 322.308 1.693 0 40 DDAB NC(=O)[C@@H]1CCC[C@@H](NC2CCN(c3nccs3)CC2)C1 90460925 VPEWEHMQWSIWFZ-DGCLKSJQSA-N 308.451 1.746 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1SC(N(C)C)=NC1=O 28757101 HMEUKDVXUQJWQO-LLVKDONJSA-N 307.375 1.583 0 40 DDAB Cc1nc(N2CCN(c3ccc(N)nc3)CC2)c2cc[nH]c2n1 80970638 TYJPFWPHHMHSTP-UHFFFAOYSA-N 309.377 1.570 0 40 DDAB CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C)CC1 21658117 GLVFCTZZBQJACP-UHFFFAOYSA-N 319.336 1.128 0 40 DDAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cn1 9447697 DKZBENBKWBILGU-LBPRGKRZSA-N 300.314 1.660 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn[nH]n2)CC1 71883547 OJNCWKZZLJHFEY-JTQLQIEISA-N 323.397 1.570 0 40 DDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(C[C@@H](C)O)CC1 71877426 LITAHHWYEXIIHN-CVEARBPZSA-N 323.481 1.380 0 40 DDAB Cc1nc(CN2CCC[C@H](NCc3c(C)noc3C)C2)no1 71870560 MMJLJOBUXLOVTN-ZDUSSCGKSA-N 305.382 1.737 0 40 DDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)COCc1cccs1 71877697 GJKFZDBUXPYTDD-JQWIXIFHSA-N 310.375 1.052 0 40 DDAB CCCn1nc2c(cc1=O)CN(Cc1nc(C)c(C)o1)CC2 76064660 WTTDPWSTJPNURO-UHFFFAOYSA-N 302.378 1.816 0 40 DDAB CCc1nc([C@@H]2CCCN2c2nc(C)nc3c2cnn3C)no1 72279267 STNJICCWPANMIK-NSHDSACASA-N 313.365 1.959 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1 72231955 NKXNFAIJFBGQIR-RYUDHWBXSA-N 318.377 1.095 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccnc(N2CCCC2)n1 72292185 QURSLBKIBVTXIF-GFCCVEGCSA-N 312.377 1.018 0 40 DDAB COCCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 72274174 XRZLMPJZCYWWKR-OAHLLOKOSA-N 319.405 1.166 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 72235693 PERCFLLMAJEGPU-KGLIPLIRSA-N 302.382 1.516 0 40 DDAB CC[C@@H](NC(=O)NCCN1C[C@H](C)O[C@H](C)C1)c1ccncc1 97010503 TUCYEPLGIWZENP-IJEWVQPXSA-N 320.437 1.941 0 40 DDAB CC(C)(C)NC(=O)N1CCC(NC(=O)c2cncc(F)c2)CC1 97036921 LFBVVFBFLGIPGD-UHFFFAOYSA-N 322.384 1.923 0 40 DDAB Cn1ccnc1-c1cc(NC(=O)c2cnc3c(c2)ncn3C)[nH]n1 97162558 KZJHCMQZRMSYKJ-UHFFFAOYSA-N 322.332 1.344 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2Cl)C1 72369362 ZFADRZWMWYEFSV-SECBINFHSA-N 304.803 1.116 0 40 DDAB O=C(CSCC1CCCC1)N1CCN(C(=O)C2CC2)CC1 97376823 XOHAROHSQMONPB-UHFFFAOYSA-N 310.463 1.991 0 40 DDAB CCOc1ccnc(N2CCCN(c3cc(C)ncn3)CC2)n1 95425712 PLKMQCUUTYHLJE-UHFFFAOYSA-N 314.393 1.690 0 40 DDAB Cc1ccc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)s1 95461092 FHSDLPYNADUSNV-JTQLQIEISA-N 302.421 1.433 0 40 DDAB Cc1occc1-c1nnc(SCCCn2ccnc2)n1N 95468097 CPRBRAAZVUOBTN-UHFFFAOYSA-N 304.379 1.939 0 40 DDAB C[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)O 95425448 KAKLTRGCMRKXOZ-SSDOTTSWSA-N 320.326 1.742 0 40 DDAB O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCCS1(=O)=O 98015886 ZNPLWDYPGBVZAU-HOCLYGCPSA-N 305.399 1.843 0 40 DDAB CN(C)C(=O)C1(CNC(=O)NC2(CO)CCCC2)CCCC1 95966428 ITZHTKNGAWNQDR-UHFFFAOYSA-N 311.426 1.239 0 40 DDAB CCS[C@H]1CCC[C@H]1NC(=O)c1c[nH]c2c(cnn2C)c1=O 95983153 QZQHTRRZTPASNT-NEPJUHHUSA-N 320.418 1.666 0 40 DDAB CNC(=O)[C@H](C)CN(C)c1cncc(OCc2ccccc2)n1 86187231 HJKSBUSAVPMIKF-CYBMUJFWSA-N 314.389 1.874 0 40 DDAB CNC(=O)Cc1noc(-c2sccc2Br)n1 89386254 NMVQMXRRKKRRIC-UHFFFAOYSA-N 302.153 1.849 0 40 DDAB CCc1nn(C)c(OC)c1CNC(=O)Cc1cccc(O)c1 89460681 VHPMQKFBBUORJY-UHFFFAOYSA-N 303.362 1.556 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H](O)C(C)C 75145527 VJFXALKAURZDNG-MRXNPFEDSA-N 321.421 1.970 0 40 DDAB CN1CCO[C@H](C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)C1 89763527 FQQCJRWYTRFIOO-GJZGRUSLSA-N 324.808 1.650 0 40 DDAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H](O)C1CCC1 516393075 GTERHZKQKDSCNM-ZDUSSCGKSA-N 304.325 1.388 0 40 DDAB CCc1cc(C(=O)NS(=O)(=O)[C@H]2CC3CCC2CC3)n[nH]1 408492823 KQPCUKUJOILFGV-ZPPKWKGLSA-N 311.407 1.610 0 40 DDAB OC[C@H]1CCC2(CCOCC2)CN1Cc1ccc2nonc2c1 528637868 GDYOPJVFDQONQZ-CQSZACIVSA-N 317.389 1.976 0 40 DDAB Cn1nnc(-c2ccccc2NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)n1 71285074 DTXISFHMFABOBH-QWRGUYRKSA-N 315.333 1.172 0 40 DDAB CN1C(SCc2ccccc2F)=N[C@H]2CS(=O)(=O)C[C@@H]21 32508750 AGQLAKDIYLTAJJ-RYUDHWBXSA-N 314.407 1.526 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@@H](c2cc[nH]n2)C1 72384922 QCESEYKZFVJYIQ-SECBINFHSA-N 313.283 1.641 0 40 DDAB Cc1nc(CN2CCO[C@H](c3ccc(C(N)=O)cn3)C2)cs1 72388099 OPLGTLKPOZFFFH-AWEZNQCLSA-N 318.402 1.519 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(COC)C(N)=S 218030570 YTHJRHNUFOVUBX-SGMGOOAPSA-N 313.444 1.506 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1c1cc(NCC2CC2)ncn1 134893465 OIIOAFQMXRVKDO-CYBMUJFWSA-N 301.394 1.546 0 40 DDAB COCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2C)c(N)n1 49411127 NGVVEEOXGVEVMO-UHFFFAOYSA-N 320.324 1.058 0 40 DDAB Cn1cc(CNc2ccc(F)c(N3CCCS3(=O)=O)c2)cn1 89793134 XEZPFEZEHVTQAX-UHFFFAOYSA-N 324.381 1.711 0 40 DDAB CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(C)ccc2O)C1(C)C 191705405 SWTZYBOFIMCPFC-WMLDXEAASA-N 307.390 1.997 0 40 DDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccccc2)c1=O 222657375 IPBPQGQBRDHYHW-UHFFFAOYSA-N 317.345 1.066 0 40 DDAB CCc1cc(=O)n(CCNC(=O)Cc2ccccc2OC)cn1 85470872 SZGAHEMKOMYFFD-UHFFFAOYSA-N 315.373 1.173 0 40 DDAB CSc1ccc(-c2ccc(=O)n(CC(=O)NC3CC3)n2)cc1 49544417 OWVJCLGWEXZTFO-UHFFFAOYSA-N 315.398 1.911 0 40 DDAB CCSc1nnc(NC(=O)[C@@H]2CSCCC(=O)N2)s1 75171316 RMATZPARUAGNEF-LURJTMIESA-N 318.449 1.210 0 40 DDAB COc1ccc(CNC(=O)Cn2cc3c(n2)c(C)nn3C)cc1 41124241 ULLJEIFCYPBYRM-UHFFFAOYSA-N 313.361 1.403 0 40 DDAB Cc1cc(C)n(C(=O)c2cn(C[C@@H](O)c3cccs3)nn2)n1 98211083 LZIJQHHYZITUMB-GFCCVEGCSA-N 317.374 1.575 0 40 DDAB Cc1ccc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)o1 96425414 GUPGVSRSVZUNFP-UHFFFAOYSA-N 307.371 1.964 0 40 DDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3c2ncc(F)cn2)cn1 96063976 ZLUWAPWLZMYIAH-UONOGXRCSA-N 302.357 1.202 0 40 DDAB CCS(=O)(=O)N1CC2(CCN(Cc3ccsc3)C2)C1 96202759 QDQBNARXHNWUCR-UHFFFAOYSA-N 300.449 1.606 0 40 DDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1c[nH]cn1)C2 96084527 PFSGKUJWSFWNCM-UHFFFAOYSA-N 314.393 1.285 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96218678 VDUFMAXCOOZZLX-GDBMZVCRSA-N 303.362 1.566 0 40 DDAB CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(C1CCC1)C2 248000676 NQFJLAZTKUFKPW-AWEZNQCLSA-N 310.438 1.515 0 40 DDAB CC(C)N1CCOCC2(CC(Cc3nc(N)ncc3F)C2)C1 257203045 AOKJNIOZCSMJAH-UHFFFAOYSA-N 308.401 1.877 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)CCc2ccc(Cl)cc2)CCO1 257324803 WQGMYDINRMZFCB-INIZCTEOSA-N 324.808 1.636 0 40 DDAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)CN)[C@@H]1CCC[C@@H](O)[C@@H]2O 257209428 BQIGIVXKWASAIJ-IFCWYPFCSA-N 318.417 1.199 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@H](c3cnccn3)C2)on1 257323691 WLMCXJSQGVDVKR-LBPRGKRZSA-N 316.361 1.812 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ncccn3)CCO2)ncn1 257311914 ULOHFJLHCORJNK-CQSZACIVSA-N 313.361 1.049 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C(N)=O)C1 265119953 NLMGGCSVEMSRCU-LLVKDONJSA-N 309.341 1.252 0 40 DDAB Cc1cccc(NC(=O)CN2CCC(C(=O)NC3CC3)CC2)c1 377439964 MZEXIMKAYGIYAC-UHFFFAOYSA-N 315.417 1.924 0 40 DDAB COCCN1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 585101272 DYKZRKSPVRQCAM-UHFFFAOYSA-N 324.446 1.702 0 40 DDAB O=C(CN1CCC[C@@]2(CCC(=O)O2)C1)NCc1ccc(F)cc1 585283301 NBFXQCIKKHKPIN-QGZVFWFLSA-N 320.364 1.614 0 40 DDAB Cc1cccnc1CN1C[C@H](CC(=O)N2CCCC2)[C@@H](O)C1 585275709 IHCXSBTXEURBEQ-HOCLYGCPSA-N 303.406 1.195 0 40 DDAB COc1cccc([C@H](CNC(=O)Nc2nncs2)N(C)C)c1 43130217 NHGRKEQCDQGLBB-LBPRGKRZSA-N 321.406 1.971 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc1F 57984447 LIYFROOHNXGQGN-GQCTYLIASA-N 306.337 1.538 0 40 DDAB O=c1oc2c(C3OCCCO3)c(O)ccc2c2c1CNCC2 169347633 UYYMWNUDIOPESF-UHFFFAOYSA-N 303.314 1.580 0 40 DDAB CN1CCN([C@H]2CCCCN(C(=O)Nc3nccs3)C2)CC1 95405453 XZHSVPJXHSMGNK-ZDUSSCGKSA-N 323.466 1.777 0 40 DDAB CC(=O)c1cccc(NC(=O)NC[C@@](C)(O)c2cnn(C)c2)c1 78869945 FBILFFKHZZWMHK-MRXNPFEDSA-N 316.361 1.652 0 40 DDAB C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1N(C)C 78894487 HWRNCRDFFIDYSY-DGCLKSJQSA-N 300.358 1.815 0 40 DDAB COC(=O)COc1ccc(C=O)cc1I 5660251 RSCFRXRJMGCWGR-UHFFFAOYSA-N 320.082 1.656 0 40 DDAB COc1ccc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)cc1 12114864 FZPKNPGLZWCZCD-UHFFFAOYSA-N 323.356 1.848 0 40 DDAB CN(C(=O)Cn1nc(-c2cccnc2)oc1=O)C1CCCCC1 12115863 ZQPRZABBFVJZLQ-UHFFFAOYSA-N 316.361 1.689 0 40 DDAB Cn1cc(CN2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 643914326 OWMRCDVCVRUOJD-KRWDZBQOSA-N 301.390 1.226 0 40 DDAB CSc1nc(C)cc(=N[C@H]2CCN(C3CCOCC3)C2)[nH]1 1889064675 DQZJXKACRFZRNV-LBPRGKRZSA-N 308.451 1.594 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)/C=C/c2ccco2)c1 27347099 RBHQXJZQQUXQRA-BQYQJAHWSA-N 320.370 1.517 0 40 DDAB Cc1noc(C)c1CC(=O)NC1CCN(c2ncccn2)CC1 32930110 VKUBORYLHJVIQN-UHFFFAOYSA-N 315.377 1.409 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984107 QPHMKLGLUDKLLV-GOSISDBHSA-N 316.401 1.925 0 40 DDAB Cc1cc(C)cc(NC(=O)CN2C(=O)CS[C@H](C)C2=O)c1 2711104 BDYYWFWDQGYLBI-LLVKDONJSA-N 306.387 1.732 0 40 DDAB Cc1c(C(=O)Nc2cnn(COCC(F)(F)F)c2)cnn1C 8782573 FUZBGKQRGHDDCU-UHFFFAOYSA-N 317.271 1.714 0 40 DDAB O=C(O)C[C@@H](c1ccco1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100116363 LBQJCSNPNIVDQG-ZGAQPHEGSA-N 301.298 1.603 0 40 DDAB COc1ncccc1CNC(=O)c1ccc2c(c1)OCCO2 31320043 FNQSSLRYUGRXOK-UHFFFAOYSA-N 300.314 1.791 0 40 DDAB COc1ccc2cc(C(=O)NC[C@H](C)N3CCOCC3)[nH]c2c1 31370296 AQABTNOAYFTVPI-LBPRGKRZSA-N 317.389 1.627 0 40 DDAB Cc1noc(C)c1C(=O)N[C@H]1CCCN(c2ncccn2)C1 40553762 RCJNTLWVSSBESZ-LBPRGKRZSA-N 301.350 1.480 0 40 DDAB CCc1nnc(NC(=O)CN2CC(=O)Oc3ccccc32)s1 31846951 YYNRJNJKJCYGPV-UHFFFAOYSA-N 318.358 1.465 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 69294555 ZEYZYJZJFHVQHE-WFASDCNBSA-N 311.403 1.456 0 40 DDAB CCOC(=O)CC(=O)c1cc2ccc(OC(C)=O)cc2oc1=O 517845 VIZRBHZDSIBETL-UHFFFAOYSA-N 318.281 1.854 0 40 DDAB biogenic CC(C)(C)CC(=O)NCC(=O)Nc1cc(-c2ccncc2)n[nH]1 69388768 ZYWCMUAJJJMKPE-UHFFFAOYSA-N 315.377 1.963 0 40 DDAB COc1ccccc1CCN(C)CC(=O)NC(=O)NC(C)(C)C 69325427 KMVMFNIRQGXFRD-UHFFFAOYSA-N 321.421 1.794 0 40 DDAB CCOc1ccc(CN(C)C(=O)[C@H](C)n2cncn2)cc1OC 45882730 QJPPTXVQQXSICM-LBPRGKRZSA-N 318.377 1.905 0 40 DDAB CC(C)CNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 20722558 OTVJSUJHLYDCQZ-UHFFFAOYSA-N 319.317 1.763 0 40 DDAB Cn1c(=O)c2nc(SC3CCCCC3)n(C)c2n(C)c1=O 1593074 QOJPGFMTJRZALP-UHFFFAOYSA-N 308.407 1.396 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4179255 IMUKUNYFDMSYGJ-RFGFWPKPSA-N 301.298 1.482 0 40 DDAB CN(Cc1ccc(F)c2cccnc12)[C@@H]1CCS(=O)(=O)C1 29714631 XEFOSPRZRPBEQW-GFCCVEGCSA-N 308.378 1.993 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)n2cncn2)c1 29757577 XZHMZKMJWZCMQE-MNOVXSKESA-N 304.350 1.734 0 40 DDAB COC(=O)c1ccc(CNC(=O)N[C@H](C)c2nncn2C)cc1 32934661 OWZFIMHMGZJQCQ-SNVBAGLBSA-N 317.349 1.162 0 40 DDAB COc1cc(OC)c(NC(=O)CN(C)CCO)cc1Cl 32932770 GYHKOWQCDMNRGE-UHFFFAOYSA-N 302.758 1.220 0 40 DDAB CCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 53095126 ITMUMWKOABYRSS-ZDUSSCGKSA-N 319.405 1.455 0 40 DDAB C[C@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)NC(=O)CO2 46975817 AYRYPBFRHGZIIN-VIFPVBQESA-N 315.333 1.301 0 40 DDAB COC(=O)[C@@]12CN=N[C@@]1(C(=O)OC)[C@H]1[C@@H]3[C@H]4[C@H]5C=C[C@H]4[C@@H]1[C@H]5[C@@H]32 104287321 MIVOYEFKTASFLI-OOVWTKPJSA-N 314.341 1.077 0 40 DDAB Cc1ccc2c(CCNC(=O)N3CCNC(=O)[C@H]3C)c[nH]c2c1 75606898 RLTDCOUUWLVUHS-GFCCVEGCSA-N 314.389 1.549 0 40 DDAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCOCC1 100467040 SVTNZVZWTDZKDD-RLFYNMQTSA-N 323.481 1.239 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccsc2)NC(=S)N1 21186637 QJDCWBNOIPNBBI-GFCCVEGCSA-N 323.443 1.400 0 40 DDAB NS(=O)(=O)c1cccc(CNc2ncnc3ccsc23)c1 24658660 MONLYHVADJHNFV-UHFFFAOYSA-N 320.399 1.951 0 40 DDAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 61883890 QJAZIGXHHPRWEY-WRWORJQWSA-N 308.325 1.510 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 1465605 FBCAMGJFCOZWFV-UHFFFAOYSA-N 323.304 1.937 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 101139458 FCUNYDGWNHWKIE-WFFHOREQSA-N 301.298 1.846 0 40 DDAB CNC(=O)c1nnsc1[S@](=O)c1ccc(Cl)cc1 1401271 QUIPMCDJRFFKGK-SFHVURJKSA-N 301.780 1.718 0 40 DDAB Cc1ccc(-c2nnc([C@@H](C)N3CC[C@@H](C(N)=O)C3)o2)cc1 106827075 GIABEFAOIPLKIG-DGCLKSJQSA-N 300.362 1.913 0 40 DDAB Cc1ncc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)s1 107059203 VUBUYSPZSYMVNT-NHYWBVRUSA-N 322.434 1.604 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl 56276578 XZDKGKRREBSRQG-ZYHUDNBSSA-N 309.797 1.930 0 40 DDAB O=C(Nc1nc2c(s1)CCC2)c1ccc(-n2cnnn2)cc1 25767541 MMAVNTDSBBLURO-UHFFFAOYSA-N 312.358 1.860 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N1CCO[C@@H](C(=O)O)C1 43701130 HTXRUWFHANKTDG-GFCCVEGCSA-N 313.737 1.203 0 40 DDAB Cc1cccnc1CN1CCC2(CC(NS(C)(=O)=O)C2)C1 108528877 KGEBFISNWBHUBG-UHFFFAOYSA-N 309.435 1.294 0 40 DDAB COc1ccc(NC(=O)COC(=O)c2ccncc2)c(OC)c1 3234179 FLRVMGRDCFKTNM-UHFFFAOYSA-N 316.313 1.894 0 40 DDAB CCOc1ccc(NC(=O)CC)cc1S(=O)(=O)N(C)C 12689764 GJOQQBKRFJQTRJ-UHFFFAOYSA-N 300.380 1.684 0 40 DDAB Cc1cc([C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)no1 26927609 UUCWMZYTIFARGP-GFCCVEGCSA-N 306.366 1.450 0 40 DDAB CC(C)CNC1(Cc2cc(CN3CCOCC3)on2)COC1 67898394 WYYVMHOYIJHWEZ-UHFFFAOYSA-N 309.410 1.064 0 40 DDAB biogenic,in-vitro COc1ccc([C@H](O)CNC(=O)Nc2ccc(OC)nc2)cc1 48019234 ULHYEIBXZNOGNV-CQSZACIVSA-N 317.345 1.954 0 40 DDAB CN1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1cnn(C)c1 44978541 DCLRBFHPMUTMQR-HNNXBMFYSA-N 318.402 1.605 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 44937605 URRCUYPJYKOUBH-JKSUJKDBSA-N 322.430 1.794 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)S(C)(=O)=O)c1 44936287 HCWGULASDONSPY-UWVGGRQHSA-N 315.391 1.314 0 40 DDAB CCN(CCCNC(=O)c1ccc(N(C)C)c(F)c1)C(C)=O 58367665 AJOVUESLUMZPQZ-UHFFFAOYSA-N 309.385 1.880 0 40 DDAB O=C(NCCO)/C(=C\c1cccs1)NC(=O)c1cccs1 2297777 GCPCIPWRZXEAGF-PKNBQFBNSA-N 322.411 1.689 0 40 DDAB Cn1cc(S(=O)(=O)NCCCN2CCc3ccccc32)cn1 58561602 LYOQKRTXLDXDLU-UHFFFAOYSA-N 320.418 1.151 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)Cn1ccnc1 48277824 KQVLDNWCBFZEGA-LBPRGKRZSA-N 321.402 1.495 0 40 DDAB COC(=O)C1CCN(Cc2nnnn2-c2ccccc2)CC1 12852196 FYCTVWZWAOXDKU-UHFFFAOYSA-N 301.350 1.047 0 40 DDAB Cc1cc(C(=O)OCC(=O)NC(=O)c2ccc(Cl)cc2)no1 3452488 RXNKDKHUWCRSAP-UHFFFAOYSA-N 322.704 1.750 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccccc1OC(F)F 3430844 ZZOMUIFKEGKUPL-UHFFFAOYSA-N 315.305 1.542 0 40 DDAB CCCN(CCO)C(=O)Nc1ccc(S(C)(=O)=O)cc1 69453094 MSRBDBKTBDXXDP-UHFFFAOYSA-N 300.380 1.326 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)n1 69571689 ZDMCRKOUWVKUBT-INIZCTEOSA-N 313.405 1.658 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H]1Cc3ccccc3S1)C2 69569702 DMRVCYSFGMOJQU-ZDUSSCGKSA-N 314.414 1.900 0 40 DDAB Cc1nc2n(n1)C[C@H](NCC(=O)NCCC1=CCCCC1)CC2 69968793 HGZAYULNVPRPTH-OAHLLOKOSA-N 317.437 1.498 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)C[C@H]1CCCO1 65574920 BVERYJDHAOAFDU-TZMCWYRMSA-N 323.414 1.558 0 40 DDAB CC[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O 69901372 PVKNGJDVBGNTDB-LLVKDONJSA-N 314.389 1.988 0 40 DDAB CCC[C@H](C(=O)OCC)N1CCN(C(=O)[C@@H]2CCCO2)CC1 69968972 GDNOZEHRVOFDRY-KGLIPLIRSA-N 312.410 1.041 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1 6476983 BXXBJOIMFYZZEC-UHFFFAOYSA-N 304.300 1.717 0 40 DDAB CCCn1nnnc1CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14171576 AQHUTTVABZSFPA-LLVKDONJSA-N 314.349 1.440 0 40 DDAB CCN(CC)CCCNCC(=O)Nc1ccc2c(c1)OCCO2 26439598 NREDXCGDLDVSNW-UHFFFAOYSA-N 321.421 1.718 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 65622856 ZJBQNCNGIHTWGJ-XVJNWHFHSA-N 324.384 1.609 0 40 DDAB Cc1cc(=O)nc(SCC(=O)Nc2cccc(C(=O)O)c2)[nH]1 5800426 JXSPITCHLWFQNQ-UHFFFAOYSA-N 319.342 1.507 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2noc(-c3cccs3)n2)C1=O 67099590 MVPGPBINMJKYQR-ZDUSSCGKSA-N 322.346 1.255 0 40 DDAB COCc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)o1 16197679 HDMCCCLHBBYBBH-UHFFFAOYSA-N 320.326 1.852 0 40 DDAB O=C(NN1CCCCC1=O)c1cnc(Oc2ccccc2)cn1 91041660 QUPIKEJWDQVFFN-UHFFFAOYSA-N 312.329 1.926 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)NCc2ccccn2)C1 9763803 ZJHMVNPALKLHQP-KBPBESRZSA-N 303.406 1.983 0 40 DDAB Cn1cc(C(N)=O)c(NC(=O)Cc2cc(F)c(F)cc2F)n1 93298408 MPYKVRYRJVRZNB-UHFFFAOYSA-N 312.251 1.118 0 40 DDAB c1cc2c(cc1OCc1nc([C@H]3COCCN3)no1)CCC2 96001455 JAWSUJZHDDAULA-CQSZACIVSA-N 301.346 1.798 0 40 DDAB CCc1nc(NC(=O)CNCCn2cc(C)cn2)sc1C 72253126 TYNUYLQVWAYCLA-UHFFFAOYSA-N 307.423 1.747 0 40 DDAB COc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1F 71829758 IVVDLCPSBNQAHH-ZYHUDNBSSA-N 308.353 1.489 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2ccnc(-n3cncn3)c2)C1 71825646 NYYKBNZLKBHDPJ-ZDUSSCGKSA-N 301.350 1.303 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)no1 72299126 HBFZSMINSCTGID-LLVKDONJSA-N 316.365 1.465 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)NC1CCN(CC(F)F)CC1 72274285 BFRAWHUWBVVJBD-ZDUSSCGKSA-N 319.396 1.926 0 40 DDAB Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 71921980 NQCYBYNIMIMYKK-LLVKDONJSA-N 300.355 1.833 0 40 DDAB Cc1n[nH]cc1CNC[C@@H](c1ccccc1)N1CCOCC1 97159470 YRKYAGSMMPVREB-KRWDZBQOSA-N 300.406 1.881 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)C1CCN(CC(C)C)CC1)C2 97199255 VWFZIEFSKMUZSQ-INIZCTEOSA-N 318.465 1.991 0 40 DDAB Cn1cc(NS(=O)(=O)c2cccs2)cc(Cl)c1=O 84314362 CAWLLKPYCHFDBW-UHFFFAOYSA-N 304.780 1.901 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2)C1=O 408591788 KNPGRNJSQCAORJ-UKTHLTGXSA-N 311.297 1.455 0 40 DDAB CCc1c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cnn1CC(C)C 95439980 MYXOTUFETAQJQX-BBRMVZONSA-N 322.453 1.550 0 40 DDAB CNc1nc(CNC(=O)Nc2cc(COC)ncn2)cs1 95429388 HXMHERSNFILDKH-UHFFFAOYSA-N 308.367 1.443 0 40 DDAB COC(=O)[C@@H]1CCC[C@H]1C(=O)NCCc1cn2ccccc2n1 95994671 FNGFGPDATNUIFN-ZIAGYGMSSA-N 315.373 1.582 0 40 DDAB CC[C@@H](N[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 95969097 CZTJTLQJGCBVLH-XJKSGUPXSA-N 308.397 1.984 0 40 DDAB Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CC(N(C)C)C1 95939090 ORCDTKIPTJYUSX-UHFFFAOYSA-N 318.421 1.911 0 40 DDAB CS(=O)(=O)NCC(=O)N[C@@H](Cc1ccccc1)C1CCCC1 89486686 ZBUKHZYQQTZYSN-HNNXBMFYSA-N 324.446 1.453 0 40 DDAB Cc1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c(C)n1C(C)C 75093035 YFZRCLIHNCYOPU-UHFFFAOYSA-N 305.382 1.460 0 40 DDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cnn(CC(F)(F)F)c1 75140985 FWPWPYBHBIOEHK-MRVPVSSYSA-N 320.315 1.935 0 40 DDAB CCN(CC)[C@@H](CNC(=O)Cn1ccnn1)c1ccsc1 75104681 KLHKEWGOWYWMKZ-ZDUSSCGKSA-N 307.423 1.539 0 40 DDAB Cc1ccc2c(N)c(C(=O)N3CCC[C@@H]3C(=O)O)sc2n1 8783638 HDUVMUHMMQPXOZ-SECBINFHSA-N 305.359 1.876 0 40 DDAB biogenic O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCOCC1 181225365 PVCLQBPVAUJCFR-WBVHZDCISA-N 318.417 1.603 0 40 DDAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227556 GJEKQFHJPBJSFV-HZPDHXFCSA-N 312.325 1.839 0 40 DDAB O=C(c1cncs1)N1CCC(c2n[nH]c3nccnc23)CC1 72368385 AJBOAKOJRZJXQB-UHFFFAOYSA-N 314.374 1.829 0 40 DDAB C[C@@]1(C(=O)N2CCOCC2)CN(Cc2cccs2)CCO1 72379401 LYVPCMCXVOUKRU-HNNXBMFYSA-N 310.419 1.198 0 40 DDAB CC(=O)c1c(O)cc(C)n([C@@H](Cc2ccccc2)C(=O)O)c1=O 41104850 REMCNLSXYBANKT-ZDUSSCGKSA-N 315.325 1.933 0 40 DDAB CN1CCN(c2ncc(NC(=O)/C=C/c3ccco3)cn2)CC1 224255366 HNYMQNCDZGYWDT-SNAWJCMRSA-N 313.361 1.473 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCCN1CCCCC1 84582106 CYAVDWAGXSTHBE-KRWDZBQOSA-N 301.434 1.775 0 40 DDAB CCc1cc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(N)n1 49411025 VRUNDGYZLPEFEG-UHFFFAOYSA-N 320.780 1.358 0 40 DDAB Cn1cc(NC(=O)N2CCC[C@H]2COc2ccccc2)nn1 570601953 JBOGFOHXLGGBMF-LBPRGKRZSA-N 301.350 1.890 0 40 DDAB C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)NC1=O 41096428 DMNCLWBMFKYFKX-GFCCVEGCSA-N 323.418 1.349 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccccn1 41295798 GWSMOCLDXXADSJ-UHFFFAOYSA-N 322.368 1.610 0 40 DDAB COCC(=O)N1CC[C@H]2COC(=O)N2c2cc(C)ccc2C1 225487295 SHMYDKGVQCEKER-ZDUSSCGKSA-N 304.346 1.699 0 40 DDAB biogenic,in-vitro CCNC(=O)O[C@H]1COCCN(c2nc3ccccc3o2)C1 85436019 XIMDFXFJPIKHOU-LLVKDONJSA-N 305.334 1.779 0 40 DDAB biogenic,in-vitro CO[C@@H]1CCN(C(=O)c2ccoc2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108552 OXNQASJFKDNWKG-ARFHVFGLSA-N 304.390 1.851 0 40 DDAB CN(C)CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C1 96081077 BTMIHLMBIOQWME-ZIAGYGMSSA-N 316.405 1.170 0 40 DDAB CCN(CC)c1ncc2c(c1C(=O)O)CCN([C@H]1CCOC1)C2 96189233 KHGHGPWBUIIVEI-ZDUSSCGKSA-N 319.405 1.773 0 40 DDAB O=C(C[C@]12COC[C@H]1CN(C1CCOCC1)C2)N1CCCCO1 96209251 SMBDBRJNOVXOCV-PBHICJAKSA-N 324.421 1.058 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CN1CCCN(C(N)=O)CC1 96447040 IIZZOIJKCIWSED-UHFFFAOYSA-N 324.812 1.673 0 40 DDAB COc1c(C(=O)NCCCO)nnn1Cc1ccccc1Cl 96183577 JHEJBHQVPVTRJQ-UHFFFAOYSA-N 324.768 1.101 0 40 DDAB O=C(C1CCOCC1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053701 PVGCXOOEBVQHAN-JSGCOSHPSA-N 320.414 1.596 0 40 DDAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCOCC2)C1 96193084 YNAPGZPLJCNRBI-MRXNPFEDSA-N 304.346 1.437 0 40 DDAB CCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O 96184136 WTCGRWLEXVSQJT-UHFFFAOYSA-N 315.373 1.835 0 40 DDAB COc1ccc([C@@H](N)c2n[nH]c([C@H]3CCCO3)n2)cc1OC 95533881 ZBBZCIMKFOEEQS-DGCLKSJQSA-N 304.350 1.722 0 40 DDAB CCc1nnc(S[C@H]2CCCN(c3cnn(C)c3)C2=O)n1C 96424908 PFXPBIKGFBAAHB-NSHDSACASA-N 320.422 1.399 0 40 DDAB O=C(NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1)NC1CC1 96069301 AQEUXIAERAPROD-LLVKDONJSA-N 319.390 1.367 0 40 DDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1 96181802 LFKKQMHYFQBCHA-KGLIPLIRSA-N 319.292 1.351 0 40 DDAB Cc1csc(=O)n1CCSc1nc2c(c(=O)[nH]1)CCC2 96494673 WHEHZHUSHPSTCX-UHFFFAOYSA-N 309.416 1.583 0 40 DDAB CCOC(=O)C1=C(CN2CC[C@H]3CCCC[C@H]3C2)NC(=O)NC1 245237834 YVOODVUQGWVPDH-OLZOCXBDSA-N 321.421 1.629 0 40 DDAB Cc1nc(O)c2c(n1)CCN(C(=O)[C@@H]1[C@H]3CCCC[C@H]31)CC2 247973639 UIORQIOGVQUVPR-JYAVWHMHSA-N 301.390 1.854 0 40 DDAB CN(C)C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 248149010 WTYKVWBKKXMSBP-CYBMUJFWSA-N 315.377 1.507 0 40 DDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2Cc2ncc[nH]2)n1 257208347 BLTVSUOJLQUBGI-MRXNPFEDSA-N 314.393 1.379 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)Cc2cccs2)n1 257298856 RNNBNCAEYPDCJS-ZDUSSCGKSA-N 319.386 1.695 0 40 DDAB c1cc2n(n1)[C@H](CN1CCCCC1)CN(C1CCOCC1)C2 253603672 JDNJOYCKWBKORW-QGZVFWFLSA-N 304.438 1.905 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2cccs2)CCO1 257301047 RWUALCVAVJZCBG-GFCCVEGCSA-N 318.402 1.722 0 40 DDAB CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CC[S@](=O)C1 252495526 OSBSYTCRRQSTRO-PEBXRYMYSA-N 324.446 1.802 0 40 DDAB Cc1ncsc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257301862 SAGPQLQNFIEREJ-JHJVBQTASA-N 309.435 1.511 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)CO)C2)cc(C(F)(F)F)n1 257217840 DAVNLNZRLJISLG-SECBINFHSA-N 303.284 1.502 0 40 DDAB CCn1nc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)cc1C 257239564 HPWONADRKBPMPO-GFCCVEGCSA-N 315.377 1.727 0 40 DDAB CCOc1ncccc1C(=O)N1CCOC[C@H]1c1ccn[nH]1 257328914 XHOZIMVDCPDUII-ZDUSSCGKSA-N 302.334 1.417 0 40 DDAB CN([C@@H]1CCCC[C@@H](O)[C@@H]1O)S(=O)(=O)c1cccc(F)c1 257299399 RPXYNUIQFBGHFF-MGPQQGTHSA-N 317.382 1.111 0 40 DDAB O=C(c1cccc([C@H]2CCOC2)c1)N1CC[C@](F)(C(=O)O)C1 263360968 UDYFVSIHYQFTRN-XJKSGUPXSA-N 307.321 1.829 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2cccn2)CC1 85436401 DIPZNEXFJCVHHX-UHFFFAOYSA-N 324.406 1.589 0 40 DDAB CCCn1c(C)nnc1CN1CCN(c2cncc(F)c2)CC1 270779540 HCROYZHXIJWKSB-UHFFFAOYSA-N 318.400 1.853 0 40 DDAB O=C1CCCN1C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575406713 QYFQRMQKNLYESS-AWEZNQCLSA-N 302.378 1.189 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1ccccn1 585182047 ZGEUDQJSYGFERP-ZDUSSCGKSA-N 320.418 1.935 0 40 DDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2nccn2C)cc1 585275306 AAQLSTBRNQDWTC-HOTGVXAUSA-N 313.401 1.937 0 40 DDAB CNC(=O)[C@H]1COC2(CN(CC3CCCC3)C2)CN1CC1CC1 585109159 BJHPKTXFEALZLG-MRXNPFEDSA-N 321.465 1.088 0 40 DDAB CN1C(=O)c2cccn2[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]21 585109865 CLEUCUYJVDJSLI-OLZOCXBDSA-N 314.320 1.174 0 40 DDAB O=C(CN1CC[C@H](Cc2ccccc2)[C@H](O)C1)NC1CCC1 585279879 RYXXANQGRZPONR-NVXWUHKLSA-N 302.418 1.581 0 40 DDAB COc1cccc(CCC(=O)N[C@@]2(C(=O)O)CCSC2)c1 43509865 JPTFENHCIUWUIK-HNNXBMFYSA-N 309.387 1.704 0 40 DDAB CNC(=O)NC(=O)[C@H](C)SCCOc1ccc(OC)cc1 50249949 AMHOFDBUGYQJCC-JTQLQIEISA-N 312.391 1.651 0 40 DDAB CCCN(CCN(C)C)C(=O)c1csc(-c2cnn(C)c2)n1 65475389 CLITWCYKYXGCSV-UHFFFAOYSA-N 321.450 1.957 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@H](CC(C)C)C(=O)N(C)C 65554335 FJMDTQUXSQSALN-CQSZACIVSA-N 309.458 1.387 0 40 DDAB O=C(NCCCn1ccnc1)c1ccc(-c2ccco2)[nH]c1=O 75125764 PLKVCMIXCPRCQO-UHFFFAOYSA-N 312.329 1.652 0 40 DDAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 5931536 KASZRZMKLVQCQR-UHFFFAOYSA-N 319.386 1.409 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NCCn3ccnc3C)cn2)n1 19656333 RFAGJDSCNPODPU-UHFFFAOYSA-N 324.388 1.819 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2o1 19936505 AIJWWCCNVZXFQS-UHFFFAOYSA-N 322.317 1.739 0 40 DDAB CN(CC(=O)NC[C@H]1CCCO1)C(=O)OCc1ccccc1 6792063 PJKMRJBTFNQHDA-CQSZACIVSA-N 306.362 1.550 0 40 DDAB c1ccc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)cc1 1888882131 FLENWWPIXAQDRU-ZIAGYGMSSA-N 306.373 1.697 0 40 DDAB O=C([C@H]1CN(Cc2ccccc2F)CCO1)N1CCSCC1 1888904384 LIWQQQAWDRTWSC-OAHLLOKOSA-N 324.421 1.602 0 40 DDAB Cc1ccnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889095493 NEAKFHCQXWIAEN-ZDUSSCGKSA-N 306.435 1.577 0 40 DDAB CN1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 21548793 QOPFNUBSZWIJSW-NSCUHMNNSA-N 310.810 1.836 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(Cl)c[nH]1 32882643 PENQUNJQHWPXEN-UHFFFAOYSA-N 320.780 1.830 0 40 DDAB CN1C[C@@]2(CCN(C(=O)CCC3CCCC3)C2)COCC1=O 2037984861 PZFMWXYYQJBUQA-QGZVFWFLSA-N 308.422 1.664 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H](NC[C@H](C)O)C(=O)O 5258240 ZEQIMLXMSUBOJN-CABZTGNLSA-N 314.769 1.401 0 40 DDAB CS(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 8977148 MIUMFWLCVNKZOL-UHFFFAOYSA-N 320.370 1.850 0 40 DDAB c1ccc(-c2ccc(N3CCN(Cc4nnco4)CC3)nn2)cc1 1775974856 UBFRDKPFWVJOEJ-UHFFFAOYSA-N 322.372 1.849 0 40 DDAB Cc1nnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)s1 2086886954 IWJOJIPUVJMTGV-UHFFFAOYSA-N 316.452 1.239 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC(N2C(=O)CSC2=O)CC1 206982321 WKWZMHSREHGLDL-UHFFFAOYSA-N 323.374 1.591 0 40 DDAB O=C(Cn1ccnc1)NCc1nnc2cc(C(F)(F)F)ccn12 225807143 OIMHHHIYELHRPO-UHFFFAOYSA-N 324.266 1.261 0 40 DDAB CSc1nc2n(n1)[C@@H](c1ccc(C)o1)C(C(N)=O)=C(C)N2 12289300 VILSLJKCJJMUSA-JTQLQIEISA-N 305.363 1.676 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CCO1 30617768 SMCSJNXLNVTYCD-NSHDSACASA-N 324.812 1.594 0 40 DDAB COc1ccc(CN2CCN(Cc3nnc(C)o3)CC2)cc1 50508687 JXQLMLMUJXFBLY-UHFFFAOYSA-N 302.378 1.704 0 40 DDAB C[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)C[C@H](C)O1 40480008 GLACKSQFTAVQIJ-YUMQZZPRSA-N 301.272 1.757 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCC2(CO)CCOCC2)c1 40636188 QRNATCBKSYBVEN-UHFFFAOYSA-N 313.419 1.371 0 40 DDAB CN(CC(=O)N1CCC1)S(=O)(=O)c1ccc(Cl)cc1 16061593 GZVUASSUGIBIIK-UHFFFAOYSA-N 302.783 1.193 0 40 DDAB CC(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 16047018 UKDHRXPZBJRFNA-UHFFFAOYSA-N 304.325 1.540 0 40 DDAB O=C1C[C@H](Cc2ccc(NC(=O)C[C@@H]3CCCO3)cc2)C(=O)N1 101219695 SUQVONOVLCLQIT-JSGCOSHPSA-N 316.357 1.399 0 40 DDAB Cc1ccc(S(=O)(=O)n2cnc3ccccc3c2=O)cc1 1628068 WPJNHZDJFRLNSG-UHFFFAOYSA-N 300.339 1.942 0 40 DDAB NC(=O)C1CCN(C(=O)Cc2ccc(OC(F)F)cc2)CC1 20901818 MIMKEPSIDYOQAF-UHFFFAOYSA-N 312.316 1.554 0 40 DDAB CNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 3396253 AWUKEDMJKLRBEK-UHFFFAOYSA-N 319.144 1.535 0 40 DDAB CCCCOC(=O)CSCC(=O)Nc1nnc(C)s1 4263069 QOQHDLKODPIMOZ-UHFFFAOYSA-N 303.409 1.862 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2ccccc2[nH]1 101965698 ZEUWKGLINABKTC-QWRGUYRKSA-N 324.340 1.453 0 40 DDAB COc1ccc(NC(=O)c2ccccc2N)cc1S(N)(=O)=O 6586680 XEVGZTHNTZSRIK-UHFFFAOYSA-N 321.358 1.177 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3cccnc3)CC2)n1 69655964 UKISDFRJNYKJJZ-UHFFFAOYSA-N 313.361 1.151 0 40 DDAB COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cn1 32842958 RLPGOVVHGJFCFI-AWEZNQCLSA-N 311.341 1.143 0 40 DDAB CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccccc1 57355478 QFVIQCORGBJGDS-ZOBUZTSGSA-N 316.401 1.891 0 40 DDAB COc1cc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(OC)c1 101781479 IXLUKWQAVUSBKF-XUXIUFHCSA-N 321.329 1.521 0 40 DDAB COc1ccc(CC(=O)NCCC(=O)OC(C)C)c(OC)c1 52970333 TXIMJWYAHXSBAI-UHFFFAOYSA-N 309.362 1.704 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCc1ccc(C)cc1 9908624 SLPRUCPMRJUZMW-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB CN(CC(N)=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 47628446 RDGKTFMPODSKBC-UHFFFAOYSA-N 314.267 1.673 0 40 DDAB Cn1cnnc1S(=O)(=O)Cc1cc(-c2ccccc2)on1 47623215 MVKDVEPPKSQUOV-UHFFFAOYSA-N 304.331 1.444 0 40 DDAB CC(C)OCCN1CCN(Cc2nnc3n2CCCCC3)CC1 42596820 VRFYYTYWMCBRFG-UHFFFAOYSA-N 321.469 1.547 0 40 DDAB CC(C)c1ccccc1OC[C@H](O)CN1CCC[C@@H](C(N)=O)C1 12549894 GVNVYCIATKRBNB-HUUCEWRRSA-N 320.433 1.747 0 40 DDAB CC(C)COC1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 55911613 SGTZFOVUVMVUJS-CQSZACIVSA-N 310.438 1.907 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2ccccn2)CC1 54708262 FVNKCAADZYHTOA-UHFFFAOYSA-N 313.405 1.390 0 40 DDAB Cc1ccc(OCCN(C)C(=O)CNC(=O)C(C)(C)C)cc1 24184915 LIELERISGUSNCI-UHFFFAOYSA-N 306.406 1.995 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)o1 24609662 ZFURGRUPGFRZTJ-UHFFFAOYSA-N 308.359 1.307 0 40 DDAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1N 24601452 SDTIKGLVFAXLHJ-UHFFFAOYSA-N 313.313 1.662 0 40 DDAB C[C@@H](NC(=O)CCn1cncn1)c1ccc2c(c1)OCCO2 55292707 WZOWVVCOIKUGQP-LLVKDONJSA-N 302.334 1.317 0 40 DDAB CC(C)CN1C(=O)c2ccc(C(=O)NCCC(=O)O)cc2C1=O 1448308 CRHXKTPWRJZWDL-UHFFFAOYSA-N 318.329 1.143 0 40 DDAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@H]1CCCO1 1456974 FPHCOBKAEJTATF-ZIAGYGMSSA-N 304.346 1.922 0 40 DDAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCCC3)ccc12 1522263 PRTVREQEMSZQKI-CYBMUJFWSA-N 303.358 1.937 0 40 DDAB CS(=O)(=O)N[C@H]1CCN([C@H]2CCc3c(Cl)cccc32)C1 110692446 QLJYXJOBVIINRA-HZMBPMFUSA-N 314.838 1.951 0 40 DDAB O=C(NC1CC1)C1CCN(c2nc3ncnc(O)c3s2)CC1 35463040 OATJLJUPMSMRFD-UHFFFAOYSA-N 319.390 1.287 0 40 DDAB CC[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCO1 44864789 RPAGMASPMHOYAC-STQMWFEESA-N 306.362 1.266 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2cc(F)cc(F)c2)CC1 44891550 CCGDWHCWLWESCO-UHFFFAOYSA-N 318.345 1.254 0 40 DDAB Cc1c(C(=O)N2CCC[C@H](C(N)=O)C2)cnn1-c1ccccc1 44893719 SWDNXGNOPXCLEB-ZDUSSCGKSA-N 312.373 1.518 0 40 DDAB Cc1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)no1 44971816 AQLVJMVQXRQAMA-NSHDSACASA-N 302.338 1.564 0 40 DDAB C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)[C@@H](C)CO1 44909560 HOZYTLXOBGSLPZ-STQMWFEESA-N 315.373 1.422 0 40 DDAB NC(=O)C1CCN(CCc2ccc(NC(=O)C3CC3)cc2)CC1 58344547 YZTUEXYOLRTFAJ-UHFFFAOYSA-N 315.417 1.775 0 40 DDAB CCN(C(=O)Cn1nnc(-c2ccc(F)c(C)c2)n1)C1CC1 58324824 ZUSPTACCMJEFBH-UHFFFAOYSA-N 303.341 1.799 0 40 DDAB COc1ccc(CCNS(=O)(=O)N2CCC[C@H](C)C2)cc1 28082917 JDRHTUYJTYJGAI-ZDUSSCGKSA-N 312.435 1.804 0 40 DDAB c1ccc(Cc2nnc(CN3CCC4(CC3)OCCO4)o2)cc1 58415430 JTKWALVVNQVRLF-UHFFFAOYSA-N 315.373 1.999 0 40 DDAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NO[C@@H]2CCCCO2)C1 58419959 XETZTBPELJZHSA-CHWSQXEVSA-N 313.398 1.391 0 40 DDAB C[C@]1(c2cccc(NC(=O)COCC3CC3)c2)NC(=O)NC1=O 58403174 VKFMFHGKRRMZSV-MRXNPFEDSA-N 317.345 1.106 0 40 DDAB Cc1ccc(C(=O)OCCN2C(=O)NC(C)(C)C2=O)cc1O 28184953 HGAVAAZEZLZMPY-UHFFFAOYSA-N 306.318 1.188 0 40 DDAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1cccc(S(N)(=O)=O)c1 12777746 RKYUDMPOBAOLAN-NEPJUHHUSA-N 308.403 1.868 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)N1CCN(c2cnccn2)CC1 28417486 QMHHZBVFWCSWRB-CYBMUJFWSA-N 315.377 1.532 0 40 DDAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)n(C)n1 48262215 UZUKCQJUSBHNBD-ZDUSSCGKSA-N 319.409 1.595 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccc(F)cc1 48230400 QAWQVNOXXIEHAV-SMDDNHRTSA-N 306.341 1.444 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)NCc1ccoc1 45376107 FEDZFPQNFHBXJD-UHFFFAOYSA-N 316.361 1.511 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@@H](C)O1 28655539 RZJOHTRMZSMPCB-PHIMTYICSA-N 310.781 1.706 0 40 DDAB Nc1nccnc1C(=O)N1CCC(c2nnc3ccccn23)CC1 28737611 OFGXYDRHFYYDNA-UHFFFAOYSA-N 323.360 1.121 0 40 DDAB CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@@H]21 306135634 OWHPGZSRSLKTQS-MGPQQGTHSA-N 309.435 1.466 0 40 DDAB CC(C)OC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12900670 HCIQTTBQJWXORD-UHFFFAOYSA-N 302.330 1.673 0 40 DDAB biogenic CC(C)c1ccc(CCC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 81813111 AEAAXJONXCBCMS-UHFFFAOYSA-N 302.378 1.513 0 40 DDAB COc1ccc(CNC(=O)CCn2c(C)csc2=O)cc1 8313694 YMXVNJVSAFVODG-UHFFFAOYSA-N 306.387 1.933 0 40 DDAB C[C@H]1C[C@H](Sc2nnc(N3CCOCC3)s2)C(=O)O1 49048915 UZQMRWWQCYXCBZ-YUMQZZPRSA-N 301.393 1.171 0 40 DDAB CNC(SCc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4283287 ADYXXNPYJZVSKQ-UHFFFAOYSA-N 319.386 1.401 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N(C)CCN(C)c1ccccc1 69584940 KPTMWBGULQADKZ-HNNXBMFYSA-N 305.422 1.302 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 65472986 RAHBKUZZXYIXCW-LLVKDONJSA-N 318.377 1.211 0 40 DDAB O=C(Cn1cccn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91765678 STYQWQNILRYOSI-FZMZJTMJSA-N 307.300 1.496 0 40 DDAB CN1CCc2ncnc(N3CCNC(=O)[C@@H]3c3ccccc3)c2C1 65595465 KQRLLYLHQCFAGJ-INIZCTEOSA-N 323.400 1.142 0 40 DDAB CN1CCC[C@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 65549011 WUGFSUHKNXQHRX-QMMMGPOBSA-N 300.288 1.649 0 40 DDAB CCOC(=O)c1nnc(-c2ccccc2)nc1N1CCOCC1 6463829 VYAAZBFFQSIXER-UHFFFAOYSA-N 314.345 1.552 0 40 DDAB CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)C[C@@H]1CCOC1 65610147 MTSCAVWAZLFWGV-LBPRGKRZSA-N 316.423 1.388 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2coc(Br)c2)CC1 69875174 WZSRNXJTKZADJU-VIFPVBQESA-N 317.183 1.181 0 40 DDAB C[C@H](c1ccc(F)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 69811544 NRGPXIMQSFUSTG-NEPJUHHUSA-N 300.399 1.887 0 40 DDAB O=C(CCCn1cnc2ccccc2c1=O)N1CCOCC1 6659705 FZKIBLDULLIZIC-UHFFFAOYSA-N 301.346 1.036 0 40 DDAB CN(C)C(=O)Cn1cc(NC(=O)c2cc(Cl)ccn2)cn1 66384193 CFSCJNBQORMDHS-UHFFFAOYSA-N 307.741 1.272 0 40 DDAB CCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)n[nH]c1=O 6888284 XMKKRMBJHFKOEQ-MNOVXSKESA-N 312.439 1.768 0 40 DDAB Cc1ccc2c(=O)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)oc2c1 6811246 ADOQUVCZSZBZAS-JTQLQIEISA-N 321.354 1.018 0 40 DDAB CN(C)N(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 61251672 HEQOKUHOKWACLP-LBPRGKRZSA-N 313.448 1.349 0 40 DDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1C[C@@H](C)O[C@H](C)C1 15254582 PLZQSARLABPFQQ-MCIONIFRSA-N 308.397 1.982 0 40 DDAB COCC(=O)N1CCCN(C2CCC3(CCNCC3)CC2)CC1 67879490 QDXRBMNUYKRITI-UHFFFAOYSA-N 323.481 1.480 0 40 DDAB CC[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(C)cc1 7459008 DBBUBRXDKRTGAK-INIZCTEOSA-N 317.433 1.760 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N(C)Cc1cccc(F)c1 7419620 BFRMQKQVIGFNGF-VIFPVBQESA-N 309.370 1.488 0 40 DDAB S=C(NCc1ccccc1)N1CCN(c2ncccn2)CC1 7572436 IRZYFEKDJWKDIL-UHFFFAOYSA-N 313.430 1.673 0 40 DDAB Cc1c(C(=O)O)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 27531675 URVAMHRSSWRLPW-UHFFFAOYSA-N 302.311 1.747 0 40 DDAB CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 20029307 WDCUZOIOBDUMTA-INIZCTEOSA-N 320.433 1.620 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 72270635 OZVIEDNRSBAPOW-CYBMUJFWSA-N 316.409 1.578 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)Cn2cncn2)n1 71865516 DHDFHADQZOMSQO-CQSZACIVSA-N 302.382 1.173 0 40 DDAB CCCNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O 96500489 YVQJNCYMCDWQSW-KRWDZBQOSA-N 300.358 1.156 0 40 DDAB CN(C)c1nccc(N2CCN(CCc3cccs3)CC2)n1 71916181 VPMBRRWHTOKPDR-UHFFFAOYSA-N 317.462 1.969 0 40 DDAB CCNc1nc(SCC(=O)NCCOC)nc2ccccc12 9690468 SABJHUGIYAHTFF-UHFFFAOYSA-N 320.418 1.916 0 40 DDAB CCc1nsc(N2CCN(C(=O)c3ccc(N)cc3)CC2)n1 97019899 VCEGVDAKIUEGGK-UHFFFAOYSA-N 317.418 1.645 0 40 DDAB O=C(NC[C@H]1CCOC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 78606536 MEZARCBQNKVECI-VXGBXAGGSA-N 306.337 1.331 0 40 DDAB Cc1cc(NC(=O)CCN2CCC(c3cnn(C)c3)CC2)no1 97203230 XZTCVTRUNFZHJP-UHFFFAOYSA-N 317.393 1.925 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 78888683 RVFZZTPIXKGJIW-SNVBAGLBSA-N 307.379 1.400 0 40 DDAB CC[C@H](c1ccc(F)cc1)N1CCCN(S(N)(=O)=O)CC1 95399441 UVDBESYZCLVQST-CQSZACIVSA-N 315.414 1.488 0 40 DDAB O=C(CCn1ccc2cc(Cl)ccc21)NCc1n[nH]c(=O)[nH]1 95443155 WSWNBHXWXSSNNB-UHFFFAOYSA-N 319.752 1.413 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(Cc3cccs3)CC2)C1 78970875 XFRHLOXCVAZTMG-NWANDNLSSA-N 324.446 1.178 0 40 DDAB 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1.695 0 40 DDAB O=C(NC[C@H]1CCOC1)NC[C@H](c1ccco1)N1CCCC1 48302360 GQTLSSKFOARQMN-ZIAGYGMSSA-N 307.394 1.752 0 40 DDAB NC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 48354270 RYXFODGUOSPWMP-VIFPVBQESA-N 318.345 1.385 0 40 DDAB CCOC(=O)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 3400366 UJJODOLFAGMGQE-LLVKDONJSA-N 321.402 1.531 0 40 DDAB C[C@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1ccc(F)cc1 17734213 OGUGIXIMKGUIAQ-VIFPVBQESA-N 321.308 1.304 0 40 DDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC(C)C)cc1 28209388 DFZRAMUUZJPEAI-CYBMUJFWSA-N 324.402 1.199 0 40 DDAB CN(CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC1 63117709 RLBPHXZAEGWSHY-UHFFFAOYSA-N 319.405 1.342 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H](c1ccccc1)n1cccn1)C2 69516505 LIFSZSUFOMPSHL-MRXNPFEDSA-N 322.372 1.415 0 40 DDAB Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)nn1C(C)(C)C 69532629 OXNJTXARSAXCJH-GFCCVEGCSA-N 306.410 1.817 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1 78889398 BXFGTCAXIBQJLP-VXGBXAGGSA-N 318.381 1.286 0 40 DDAB NC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 13640586 TULWIXGGESFZIG-UHFFFAOYSA-N 311.223 1.585 0 40 DDAB C[C@@H]1CN(Cc2ccccc2OCC2CC2)C[C@@H](C(N)=O)O1 92007643 GPYFICSAPZMJSO-WBMJQRKESA-N 304.390 1.550 0 40 DDAB COc1ccc(C)cc1NC(=O)CSc1nncc(O)n1 4317422 KKGZKXLURLYTLI-UHFFFAOYSA-N 306.347 1.625 0 40 DDAB CC(C)c1nc(CN(C)CC2CCN(C[C@H](C)O)CC2)no1 69947329 REVYGFPZWYLNKH-ZDUSSCGKSA-N 310.442 1.718 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 65404223 MUWPGKGOYRKMIZ-LBPRGKRZSA-N 315.381 1.607 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1ccnc1 65550398 RMKYTTDTTAERRC-LBPRGKRZSA-N 319.796 1.841 0 40 DDAB CC(=O)Nc1ccc(F)c(NC(=O)Nc2cnn(CCO)c2)c1 65562675 FWESWGRVFRMIKB-UHFFFAOYSA-N 321.312 1.617 0 40 DDAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccc(F)cc1 408667089 QAWQYIXOIWRWKS-RJYVHDGYSA-N 318.300 1.749 0 40 DDAB CCOCCO[C@@H](C)C(=O)N(CC(=O)OCC)CC1CC1 65613189 UJXXPEAWPOSQNB-LBPRGKRZSA-N 301.383 1.230 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O 66083935 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Cc1nc2ncnn2c(N2CCN(Cc3ccccn3)CC2)c1C 96453278 DXHVFMDHZBWPAZ-UHFFFAOYSA-N 323.404 1.458 0 40 DDAB Cn1cccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c1=O 96435121 FGBYXEINPFRNMK-HNNXBMFYSA-N 313.357 1.991 0 40 DDAB O=C(C1CCN(Cc2nnc(C3CC3)o2)CC1)N1CCOCC1 71824698 DFNFBJRTXRYVPC-UHFFFAOYSA-N 320.393 1.018 0 40 DDAB COc1ccccc1OCCN1CCN(C[C@@H](C)O)[C@H](C)C1 71864561 WSLVAZXEMKHPCI-HUUCEWRRSA-N 308.422 1.461 0 40 DDAB C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1cc2ccccc2o1 79355162 DNFHLGDNBVWVBC-NSHDSACASA-N 322.386 1.934 0 40 DDAB CCCOC(=O)[C@@H](C)Sc1nnnn1C1CCOCC1 71922150 AWTXFDFLTLOFQO-SECBINFHSA-N 300.384 1.458 0 40 DDAB CCCCOc1ccc(C(=O)N[C@@H](C(=O)OC)[C@H](C)O)cc1 71921337 ZDBCWKFXHZUSPI-SMDDNHRTSA-N 309.362 1.518 0 40 DDAB Cc1nnc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)s1 72253022 MAUZKFNZIYPKIT-UHFFFAOYSA-N 321.410 1.016 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)ccc1=O 72282819 GVMQZHPWMPETHD-GFCCVEGCSA-N 315.377 1.396 0 40 DDAB CCCCN(CC)C(=O)[C@H](c1cnn(C)c1)N1CCOCC1 72313816 ADLCICZOAKBKFV-HNNXBMFYSA-N 308.426 1.442 0 40 DDAB CSc1ccc(-c2ccc(=O)n(CN3CCOCC3)n2)cc1 72405342 ATRJIZTYLJAHGV-UHFFFAOYSA-N 317.414 1.922 0 40 DDAB C[C@H](NS(=O)(=O)N1CCC[C@@H]1c1ccco1)c1cnn(C)c1 84667534 HLMJWXHTKFOPRP-WCQYABFASA-N 324.406 1.746 0 40 DDAB CC[C@H](C)[C@H](NC(=O)COCCOc1ccccc1)C(=O)O 95969876 UEJLUMQCJNTELM-WFASDCNBSA-N 309.362 1.698 0 40 DDAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nnc(C2CC2)s1 75092452 YLINZLOBSBEONI-RKDXNWHRSA-N 310.379 1.879 0 40 DDAB C[C@@H](CNC(=O)c1cn(C)c2ccccc12)CN1CCOCC1 75143409 HJELZJJGQJZANZ-AWEZNQCLSA-N 315.417 1.876 0 40 DDAB COc1nn(C)cc1CNC(=O)N[C@H]1CCc2c(O)cccc21 1548449059 ZHRGTXNSLOUJGS-ZDUSSCGKSA-N 316.361 1.621 0 40 DDAB Cc1nccn1CC1CCN(c2ncnc3c2CCNC3)CC1 67515407 ZYHYXEGGQCHRNU-UHFFFAOYSA-N 312.421 1.544 0 40 DDAB CC(C)[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)O 33520769 CWWPKYKISLVPAI-OAHLLOKOSA-N 320.345 1.028 0 40 DDAB CC(=O)Nc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)cc1 188477908 SAOCOIGOMBUIEU-OAHLLOKOSA-N 316.361 1.910 0 40 DDAB CNc1cc([C@@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1 72387829 DFMACJXRBSDFBL-NSHDSACASA-N 319.390 1.497 0 40 DDAB CC[C@@](C)(NCC(=O)N1CCN(C(C)=O)CC1)c1nccs1 72684469 NFBMYJIIKDKQKY-OAHLLOKOSA-N 324.450 1.049 0 40 DDAB O=S(=O)(c1cncc(Br)c1S)N1CCCC1 72210879 HSXZLZBQYKAKBC-UHFFFAOYSA-N 323.237 1.917 0 40 DDAB O=C1O[C@H]2C[C@@H]1N(C(=O)c1ccc(OC(F)(F)F)cc1)C2 75162501 SVKOJCVKVJDXHC-UWVGGRQHSA-N 301.220 1.725 0 40 DDAB C[C@@H](N)C(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1 72394528 HDXROHONEAVTDQ-CYBMUJFWSA-N 303.406 1.219 0 40 DDAB Cc1nc(N2CCOCC2)sc1-c1nnc2n1CCOC2 566488430 BQFVYVMTQLGMFT-UHFFFAOYSA-N 307.379 1.077 0 40 DDAB COc1cccc(N2CCO[C@@H](C(=O)NC3CCCC3)C2)c1 72356766 IFMYWBMMBFNHTR-MRXNPFEDSA-N 304.390 1.959 0 40 DDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccoc3)C2)n1 225499148 PFMAVTIIBBFCGX-GFCCVEGCSA-N 303.318 1.762 0 40 DDAB CO[C@@](C)(C(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1F 192144464 FEGVURCMPLOYFY-SJKOYZFVSA-N 322.380 1.801 0 40 DDAB Cc1cc([C@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)ccc1F 96487337 ONWDXGHLRXMDRU-OAHLLOKOSA-N 303.337 2.000 0 40 DDAB CCCCN(C)S(=O)(=O)Nc1cccc([S@](C)=O)c1 96416854 IWTLNDMIUDVDKL-GOSISDBHSA-N 304.437 1.813 0 40 DDAB CNC(=O)[C@@H]1COC[C@H]2CN(C(=O)CCc3ccccc3)C[C@@H]12 96038601 QVNPTNOTQOXWBB-BZUAXINKSA-N 316.401 1.086 0 40 DDAB C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ccc(O)nn3)cn21 333229335 XXHCHISKRSKVRH-MRVPVSSYSA-N 309.351 1.077 0 40 DDAB CCn1cc(Br)c(=O)c(NC(=O)[C@@H](C)COC)c1 97374298 LIOFRBWHOODNPA-QMMMGPOBSA-N 317.183 1.852 0 40 DDAB CN(C)CCCNC(=O)c1ccn(-c2ccc3ccccn23)n1 96038046 AAGIFESMECYCTP-UHFFFAOYSA-N 311.389 1.807 0 40 DDAB COCC(=O)N[C@H](C(=O)N1CCc2ccccc2CC1)C(C)C 96420545 MBGHTTWYVILFTO-KRWDZBQOSA-N 318.417 1.401 0 40 DDAB O=C(c1ccco1)N1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@H]21 247801451 GCQLMOKMECMKOJ-GZBFAFLISA-N 301.346 1.796 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc3c(nc2O)CCC3)C1 257263725 LRDTZWGIZHOGTF-GFCCVEGCSA-N 312.373 1.937 0 40 DDAB Cc1cc(C)nc(N2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)n1 257317259 VJANMAHVVYQIMA-KBPBESRZSA-N 306.410 1.195 0 40 DDAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 257263594 LQRQKSKRSUZQQN-AWEZNQCLSA-N 314.393 1.397 0 40 DDAB CN(CC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1 257262022 LJRPJWMCYMGIOA-MRXNPFEDSA-N 311.389 1.667 0 40 DDAB c1cnc(Nc2cncc([C@H]3CN(CC4CC4)CCO3)n2)nc1 257221911 DRBQZTVGARRLLU-CQSZACIVSA-N 312.377 1.794 0 40 DDAB Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN(C)C 585096838 DODBFLYLGXFJFJ-ZDUSSCGKSA-N 302.378 1.761 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccoc1)C2 585110796 HKQSFBUDDZVCPD-CYBMUJFWSA-N 300.362 1.345 0 40 DDAB C[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)C(N)=O 54277659 CPIPZHBRNOHYAU-NSHDSACASA-N 324.340 1.736 0 40 DDAB CC(C)c1nc(CCNC(=O)NCC(=O)N2CCCC2)cs1 69485904 SJRFDAJKZLRXSV-UHFFFAOYSA-N 324.450 1.731 0 40 DDAB CC(C)[C@@H]1CN(C)CCN1C(=O)c1nnc2ccccc2c1N 81433100 PWLQPEQJZAQCHU-AWEZNQCLSA-N 313.405 1.624 0 40 DDAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC(C)(C)C)n2)c(C)o1 12146799 SCKHONQLJUYOLB-UHFFFAOYSA-N 318.377 1.617 0 40 DDAB CC[C@@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582760 VUNFPXCMQFVHQB-SNVBAGLBSA-N 314.407 1.619 0 40 DDAB C[C@H](Cn1cnc2ccccc21)C(=O)NCCc1cnccn1 19457760 IDYWIXMPIHALBI-CYBMUJFWSA-N 309.373 1.821 0 40 DDAB CCCC(=O)N1CCc2nc([C@H]3CCCN(C)C3)ncc2C1 19501625 WIDQTXVFDNELSR-ZDUSSCGKSA-N 302.422 1.971 0 40 DDAB O=C1CO[C@@H]2CN(Cc3cscn3)C[C@@H]2N1c1ccccc1 643913325 QZWWCOBTAVVICT-LSDHHAIUSA-N 315.398 1.759 0 40 DDAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc2nsnc2c1 253407719 WRUFXTKSKLEHML-LERXQTSPSA-N 319.386 1.758 0 40 DDAB COc1cc(N2CCC[C@H](C(=O)N3CCSCC3)C2)ncn1 1889099063 HJPRIZCHJRXQED-LBPRGKRZSA-N 322.434 1.277 0 40 DDAB COc1cnc(N2CCC(COc3cnccn3)CC2)nc1 1889101380 JQLQEGLSWLTBEL-UHFFFAOYSA-N 301.350 1.571 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)C 33026210 PUQYQWWJQSZFIL-LBPRGKRZSA-N 302.371 1.217 0 40 DDAB COc1cc(C(=O)N2CC3(CCN(C(=O)C(C)C)C3)C2)on1 1018958549 NRAHENAOLBXXJV-UHFFFAOYSA-N 307.350 1.014 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1565544065 DEBQGLWMTWQHHK-UHFFFAOYSA-N 323.437 1.334 0 40 DDAB O=C(CC1CCCC1)NCc1nnnn1-c1ccc(F)cc1 9570999 PUDVJQIWEWOZEP-UHFFFAOYSA-N 303.341 1.998 0 40 DDAB COc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)c1 10088981 GKYILEFGGKHETK-AWEZNQCLSA-N 324.402 1.869 0 40 DDAB CC(C)CC(=O)N1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055771579 JUFIOXXTYQELFZ-INIZCTEOSA-N 306.410 1.335 0 40 DDAB Cc1cncc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086886960 JMFAMHKDJDHAKH-LBPRGKRZSA-N 310.423 1.178 0 40 DDAB CN(C)C(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1 390832418 ZJLNLHRSHPXBFS-UHFFFAOYSA-N 309.435 1.800 0 40 DDAB COC(=O)[C@H](C)n1cnc2c(cnn2-c2ccc(C)cc2)c1=O 4268641 LCOQZEDEKNFFOT-NSHDSACASA-N 312.329 1.625 0 40 DDAB COc1ccccc1N1CC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1=O 101607806 HQAXHLJFUMYIPC-AVGNSLFASA-N 314.385 1.963 0 40 DDAB Cc1cc(C(=O)Nc2nnc3ccccn23)c2c(C)nn(C)c2n1 30691817 AUJJSTONMZEBOX-UHFFFAOYSA-N 321.344 1.880 0 40 DDAB Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)[nH]c2c1C(=O)CCC2 40460883 PYTBUFCCYSXEOX-HNNXBMFYSA-N 324.402 1.149 0 40 DDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)ccc1OC 40528546 AQTMWJPVURSQFM-QMMMGPOBSA-N 305.783 1.398 0 40 DDAB O=C(COCC1CC1)NCc1ccc(Cn2cncn2)cc1 40529865 BMFQONFMPHWYMA-UHFFFAOYSA-N 300.362 1.369 0 40 DDAB CC(=O)OC12CC3C[C@@H](C1)C(OC(C)=O)(OC(C)=O)[C@H](C3)C2 390882 YMBKKVTWXAWGMY-HFDVOGEKSA-N 310.346 1.951 0 40 DDAB CCN(CC)C(=O)CSc1nnnn1-c1cccc(OC)c1 415254 IRKMKTFQZYFTOX-UHFFFAOYSA-N 321.406 1.631 0 40 DDAB COc1ccc(C(=O)Nc2nnn(C)n2)cc1Br 527579 UQADQTPHDAOGJA-UHFFFAOYSA-N 312.127 1.234 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 69368464 WZKAUWIEJFTFNI-AWEZNQCLSA-N 317.393 1.661 0 40 DDAB O=C(Nc1nnc[nH]1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 29666897 SXRJJLVWFGLTEJ-SSDOTTSWSA-N 307.260 1.075 0 40 DDAB Cc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1 1348877 KPDLRIHSAGCRSG-UHFFFAOYSA-N 312.358 1.975 0 40 DDAB COCCNC(=O)[C@@H](C)OC(=O)c1cc2sccc2n1C 4967014 HBPOCBWICAHIFS-SECBINFHSA-N 310.375 1.548 0 40 DDAB CN(Cc1nc2ccccc2s1)C(=O)C1=NN(C)C(=O)CC1 21937203 RGOCQYGBZXYTNP-UHFFFAOYSA-N 316.386 1.863 0 40 DDAB CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)NC)c1C 58137534 YLUBXHYAANXDFP-JTQLQIEISA-N 322.365 1.819 0 40 DDAB CCc1nc2n(n1)C[C@@H](Nc1nc3ccccc3c(=O)[nH]1)CC2 105793303 DTSBDPYTTUNKJC-JTQLQIEISA-N 310.361 1.504 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc21 24478529 HVBRMIKTXIKEOM-UHFFFAOYSA-N 312.373 1.601 0 40 DDAB Cc1cccc(N2CCN(C[C@]3(O)CCCN(C)C3)CC2)c1C 57279001 FFAPFQNJLPWQCV-IBGZPJMESA-N 317.477 1.882 0 40 DDAB COc1ccc(C[C@@H](C)N(C)C(=O)Cn2cccnc2=O)cc1 69454509 OMFGSCRLIRSCSQ-CYBMUJFWSA-N 315.373 1.342 0 40 DDAB Fc1cc(CN[C@@H]2CCc3ncnn3C2)ccc1-n1cncn1 69490854 GBSWUCDZNUBUFP-GFCCVEGCSA-N 313.340 1.103 0 40 DDAB CN1CCN([C@@H](CNC(=O)[C@H]2CCCO2)c2cccs2)CC1 36089825 SKWKVZIJXQRISJ-UONOGXRCSA-N 323.462 1.332 0 40 DDAB CN(C)CCn1cc(NC(=O)COc2ccc(F)cc2)cn1 58268129 TYYUZOQBOIPKKL-UHFFFAOYSA-N 306.341 1.601 0 40 DDAB c1ccc(Cn2nnnc2CN2CCC(c3cc[nH]n3)CC2)cc1 58281240 DIMGDVSQMXTXLC-UHFFFAOYSA-N 323.404 1.824 0 40 DDAB COc1ncccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 44953528 FWSJDBDNQLXOTR-ZDUSSCGKSA-N 322.409 1.569 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cccc(N(C)C)c2)C1 28013634 HFLZBQUBURMAGM-KRWDZBQOSA-N 319.449 1.839 0 40 DDAB CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 28047677 LVPUIMQONCKCRY-UHFFFAOYSA-N 322.361 1.664 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)NO[C@H]1CCCCO1 58420249 PXFPLEFVDNSFCX-KRWDZBQOSA-N 318.373 1.930 0 40 DDAB CCC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)O 36340070 NRZCATHOCUNSOG-CQSZACIVSA-N 313.375 1.543 0 40 DDAB CC(=O)c1c(SCC(=O)NCc2ccco2)nc(=O)[nH]c1C 10913792 MVFOKGAFGAUNJX-UHFFFAOYSA-N 321.358 1.282 0 40 DDAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12652162 XGZOVLJJQYXWPE-LRDDRELGSA-N 322.430 1.131 0 40 DDAB CCCS(=O)(=O)NC[C@H](c1cccs1)N1CCOCC1 48301860 QPFSWGVTTQJGFD-GFCCVEGCSA-N 318.464 1.451 0 40 DDAB Cn1cc(CN2CCCN(C(=O)[C@H]3CC=CCC3)CC2)cn1 69741521 AVZKYBVUPLAKID-INIZCTEOSA-N 302.422 1.811 0 40 DDAB CCc1nc(CN2CCC[C@H](Nc3nccc(OC)n3)C2)no1 69516582 UPYLJRVTLXLBCN-NSHDSACASA-N 318.381 1.507 0 40 DDAB OCc1cn2cc(Br)nc(Br)c2n1 91692496 YYMYQOUCEBQSNQ-UHFFFAOYSA-N 306.945 1.747 0 40 DDAB in-vitro Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n(C)n1 91757097 IBHAAWZDIBFODO-RISCZKNCSA-N 321.327 1.955 0 40 DDAB Cn1cc([C@H]2CCCN2CC(=O)NCc2cccs2)cn1 69660130 ABLMLGRBMORKLZ-CQSZACIVSA-N 304.419 1.935 0 40 DDAB C[C@@H]1CN(CCc2ccccn2)CCN1c1ccc2nncn2n1 69621888 IDBVYEWTIKLBJF-CQSZACIVSA-N 323.404 1.273 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 69816018 TUNOISLKCMCHMR-CQSZACIVSA-N 301.394 1.814 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)N(CC(N)=O)C1CCCC1 65501369 PEMKCFPGSVBWGV-ZDUSSCGKSA-N 304.390 1.848 0 40 DDAB C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H](c2ccccc2)O1 65515024 USRCAALWEHWWKP-ZFWWWQNUSA-N 302.374 1.597 0 40 DDAB CC(C)n1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCC3 6760825 YEPCOGWBFXRVIH-UHFFFAOYSA-N 308.359 1.379 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)N2CCCc3ccccc32)n1 4920647 PYKFOHNMRVPDDW-UHFFFAOYSA-N 316.386 1.424 0 40 DDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1cccc(F)c1 7051811 QSNFMTXGKLORBT-UHFFFAOYSA-N 319.321 1.602 0 40 DDAB COc1c(C)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)cc1C 93051117 KLVLUAPKUCHJQY-QMTHXVAHSA-N 313.419 1.703 0 40 DDAB CCc1nc([C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)no1 67940015 RRXBFSIOGBBRKA-NEPJUHHUSA-N 303.366 1.796 0 40 DDAB CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 9322817 HKJDLLKAZBANDJ-SNVBAGLBSA-N 320.422 1.878 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)C2 71796305 RZVZNVDGQMOZTD-YUTCNCBUSA-N 320.389 1.865 0 40 DDAB O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CCOC1 96444669 APKIHPOBZVZXRO-MRXNPFEDSA-N 317.433 1.351 0 40 DDAB CN1CCCC[C@@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1 71897908 FEEQVVPIBOFYIU-CYBMUJFWSA-N 322.840 1.868 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3cnn(C)c3)CC2)nn1 75584913 SIVJKKRZWPAFEQ-UHFFFAOYSA-N 300.366 1.235 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)NCc2cccnc2)no1 75610292 NLAOLDFUZKYKDB-CYBMUJFWSA-N 301.350 1.226 0 40 DDAB CCn1ccnc1CN1CCN(Cc2cc(C)no2)C[C@@H]1C 72279621 BPGJMLQZQQTCRD-AWEZNQCLSA-N 303.410 1.906 0 40 DDAB CCN1CCO[C@@H](CNCc2ccccc2-n2cncn2)C1 72268800 HJJPLRPIPKAIIH-HNNXBMFYSA-N 301.394 1.078 0 40 DDAB O=C(CN[C@H]1CCc2ncnn2C1)NCCC1=CCCCC1 75603357 FZJDCCBKAXLDMA-AWEZNQCLSA-N 303.410 1.189 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)on1 76052613 YTESQHSSUQFDGD-GXTWGEPZSA-N 307.394 1.591 0 40 DDAB Cn1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cn1 87501260 LCQBFICQEFXKLT-NSHDSACASA-N 306.316 1.707 0 40 DDAB O=S(=O)(CCCN1CCn2ccnc2C1)c1ccccc1 97201138 BFRHXWGEARDNDQ-UHFFFAOYSA-N 305.403 1.563 0 40 DDAB Cn1c(C(=O)NS(C)(=O)=O)cc2cc(C(F)(F)F)ccc21 76089954 JPZACHRGDCKJAX-UHFFFAOYSA-N 320.292 1.887 0 40 DDAB CCN(C)S(=O)(=O)N1CCS[C@H](c2ccccc2)C1 72710860 IUXBVAHBXOJSPQ-ZDUSSCGKSA-N 300.449 1.973 0 40 DDAB CCC[C@@H](C)N1C[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 77506308 JPHAJNCDFQPVJT-VXGBXAGGSA-N 314.389 1.960 0 40 DDAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1cscn1 95443706 KMWUFTFRBCHDJI-UHFFFAOYSA-N 304.375 1.623 0 40 DDAB Cc1cc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)no1 95402401 LRRMJWPYDJAWOJ-CQSZACIVSA-N 317.393 1.950 0 40 DDAB O=C(NCc1ncc[nH]1)C(O)(c1ccccc1)c1ccccc1 78997103 YYHLDVMXGTVXGD-UHFFFAOYSA-N 307.353 1.962 0 40 DDAB O=C(CN1CCCCC1=O)NCc1cc(=O)[nH]c2ccccc12 75092992 FBEHCJDPWYGIHE-UHFFFAOYSA-N 313.357 1.157 0 40 DDAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)c(=O)[nH]1 75122756 QEZUDOAWONRHCK-UHFFFAOYSA-N 308.341 1.799 0 40 DDAB O=C(O)COCC(=O)N1CC[C@H](c2nc3ccccc3o2)C1 35442846 RTGNKNFZOCZHHL-JTQLQIEISA-N 304.302 1.245 0 40 DDAB biogenic,in-vitro CN(C)c1nc(N)nc(CN2CCOc3cc(F)c(F)cc32)n1 521396619 HWJLAZOBJQMBQC-UHFFFAOYSA-N 322.319 1.197 0 40 DDAB Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c1C 77939545 PYNSGKOJNDVRMC-HIFRSBDPSA-N 304.390 1.909 0 40 DDAB Cn1ccnc1[C@H](CC(=O)Nc1nncs1)C(F)(F)F 557482150 WIEGESSUEDYVMC-LURJTMIESA-N 305.285 1.946 0 40 DDAB O=C(NCCCc1ccc(O)cc1)C1(O)Cc2ccccc2C1 73819009 SZSHVNHTYAYRCM-UHFFFAOYSA-N 311.381 1.971 0 40 DDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nc(C(=O)O)co1 563206090 JGSFUXCFHKKOIQ-VIFPVBQESA-N 324.358 1.974 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)Nc3cnccn3)cc21 137257776 DDGGTRNUGHOREI-UHFFFAOYSA-N 304.375 1.660 0 40 DDAB CN(C[C@H]1CCCN1C)C(=O)c1ccc2c(c1)nc(O)n2C 569210835 FSQOHWJTLXVDQN-GFCCVEGCSA-N 302.378 1.445 0 40 DDAB CN1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 82315217 DJKZJBBWCZZYBH-AWEZNQCLSA-N 305.397 1.816 0 40 DDAB CC(C)Cc1nnc(NC(=O)[C@@H]2CCS(=O)(=O)C2)s1 40466508 CPHXYILQIIDQCQ-MRVPVSSYSA-N 303.409 1.110 0 40 DDAB O=C(NCC(=O)N1[C@H]2CC[C@H]1c1cncnc1C2)c1ccccc1 225673534 XNBFYLLSWDJQOU-BBRMVZONSA-N 322.368 1.495 0 40 DDAB COc1cccc(C2(NC(=O)C[C@H]3CSCCN3)CC2)c1 195544114 BABFYFNCMMOWAH-ZDUSSCGKSA-N 306.431 1.896 0 40 DDAB CO[C@H](C)CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 95401106 DZQAZXBSFHPNRJ-SSDOTTSWSA-N 304.268 1.584 0 40 DDAB CCOC(=O)N1CCC(CN)(NC(=O)OC(C)(C)C)CC1 96102469 DMYVOHPNVAJUTM-UHFFFAOYSA-N 301.387 1.461 0 40 DDAB O=C(c1ccncc1F)N1CC2CC1(C(=O)NCC1CC1)C2 96252609 XMAJNDVVMOAMEX-UHFFFAOYSA-N 303.337 1.352 0 40 DDAB CN(C)[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1ccncc1 96200985 BXHGYEAENIMGNJ-CABCVRRESA-N 301.369 1.762 0 40 DDAB C[C@H]1C[C@H]1N1C[C@H](NC(=O)COc2ccccc2F)CC1=O 96432039 KRAQTSQHVKGKBO-DMDPSCGWSA-N 306.337 1.330 0 40 DDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccncc1 238869029 MLFHNBAHKSUVHD-UHFFFAOYSA-N 323.360 1.050 0 40 DDAB O=C([C@@H]1CCOC1)N1CCc2ncnc(NC3CC3)c2CC1 96255492 SBSGNVRXMKBSSP-LLVKDONJSA-N 302.378 1.015 0 40 DDAB CCNC(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96183169 LARYZFQZYPJSCZ-UHFFFAOYSA-N 317.345 1.064 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1CCCN(C)C1 95437674 GHCJXAGBOJNELB-CYBMUJFWSA-N 321.469 1.686 0 40 DDAB Cc1cc(CN2C[C@H]3[C@H](CC(=O)N(C)C)COC[C@H]3C2)no1 96040829 JRVFPZJUSXIKDT-NFAWXSAZSA-N 307.394 1.156 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CC[C@@H](CN(C)C)C1 97238766 GJICIQSRBCCDHO-HOCLYGCPSA-N 311.470 1.190 0 40 DDAB CC(C)CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181821 CFONBDXVQCARDY-LSDHHAIUSA-N 308.353 1.496 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1 248061266 YYWQSROMSOGCRM-XIRDDKMYSA-N 308.422 1.837 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1ccncn1 257313356 USBMVNZVRIFVKE-CQSZACIVSA-N 302.378 1.543 0 40 DDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)CCn2nccc2C)[C@H]1O 257273199 NFQKIFZOMGUZEV-IIAWOOMASA-N 309.410 1.359 0 40 DDAB Cc1nn(C)c(F)c1CNCc1cc(C(F)(F)F)n(C)n1 256050116 CSWLINWOPCTKAU-UHFFFAOYSA-N 305.279 1.910 0 40 DDAB c1c[nH]c(CN2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)n1 257343022 ZRBWSJIXRBMGSI-CQSZACIVSA-N 311.389 1.977 0 40 DDAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCNC1 257325561 WTNFMWDDOQARGY-LLVKDONJSA-N 318.446 1.665 0 40 DDAB Cc1nc([C@@H]2CCCN2)cc(N2CC3(CCOCC3)OC2=O)n1 257296868 RESAMARMVKCBPX-LBPRGKRZSA-N 318.377 1.715 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)Cn3ccnc3)cn2)CCCCO1 257231394 GGNCNUNQUUEHCW-INIZCTEOSA-N 315.377 1.405 0 40 DDAB COc1cccc(C[C@@H]2CN(C(=O)c3cnccn3)CCO2)c1 257250411 JMKFWHSKSUWZLW-OAHLLOKOSA-N 313.357 1.569 0 40 DDAB CCn1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)cn1 257304055 SJXCJOUJJUUZFX-CYBMUJFWSA-N 301.394 1.965 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)O)CC1 262724181 RKMOWTMSFLISKW-IHRRRGAJSA-N 318.373 1.090 0 40 DDAB CC(C)=CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 668387002 FJVAMSFORWFUSC-CYBMUJFWSA-N 300.424 1.561 0 40 DDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)C(F)F 585111366 QNIQLWJUYJPXIE-CYBMUJFWSA-N 321.327 1.927 0 40 DDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2ccccc2F)CCO1 585276991 TWYKARFSJOJKNW-QGZVFWFLSA-N 324.396 1.521 0 40 DDAB Nc1ncccc1C(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585279456 MNIHFNXWHXNKGS-GDBMZVCRSA-N 311.385 1.730 0 40 DDAB Cc1csc(NC(=O)CN2CC(c3nc(C4CC4)no3)C2)n1 70637003 IKPIIOYLWROQPA-UHFFFAOYSA-N 319.390 1.750 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1nccnc1N 72253188 KZBQQUJZWNDVOR-VIFPVBQESA-N 320.784 1.731 0 40 DDAB O=C(NCC1CCN(c2ccncc2)CC1)NC[C@@H]1CCCO1 92853454 KAMCEBDURGOHDZ-INIZCTEOSA-N 318.421 1.776 0 40 DDAB CCOCC(=O)N1CCO[C@](CO)(Cc2ccccc2C)C1 1615142274 BDGHLKYXKYYVLB-QGZVFWFLSA-N 307.390 1.164 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)N(C)C1=S 8091433 HACJBCOSHJFEMN-XFFZJAGNSA-N 308.334 1.399 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]23C[C@H]4CC[C@]2(C(=O)[C@H]1O3)C4(C)C 5742325 NEDQAWRPFLOHDN-FACPQVBNSA-N 320.341 1.176 0 40 DDAB CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C)C1 12530087 XWRWRBQJSMDAKM-STQMWFEESA-N 315.377 1.801 0 40 DDAB biogenic,in-vitro CC(=O)N[C@H](N1C[C@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 13551518 INQURHWBKQKKHZ-BKPPORCPSA-N 303.617 1.928 0 40 DDAB CCC1=C(C(=O)OC)[C@@H](c2cnn(C)c2C)n2ncnc2N1 17030780 FRZDMSXGXDBBKJ-GFCCVEGCSA-N 302.338 1.172 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccnc(N2CCCC2)n1 19575800 BBNQXGXNCUUMGX-GOEBONIOSA-N 301.438 1.745 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC(CC(=O)N(C)C)CC1 19748502 IBZBTUWDMUDTEZ-UHFFFAOYSA-N 307.394 1.551 0 40 DDAB CCC(CC)C(=O)NCCNc1ccc(-n2cccn2)nn1 19924354 AEZORJPEEVGPGB-UHFFFAOYSA-N 302.382 1.627 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCO[C@H](C2CC2)C1 153964115 GBMMBHCVTZUBEQ-ULQDDVLXSA-N 318.417 1.847 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)C(C)(C)n3cncn3)C2)n1 607854682 YGEHKMKJDJUYNL-LBPRGKRZSA-N 300.366 1.128 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Oc2cnccn2)C1 225472143 GQVXCBDDGBWTPZ-ZDUSSCGKSA-N 316.361 1.694 0 40 DDAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1 253407107 VPIWTHBLXVHOKM-BZUAXINKSA-N 318.373 1.711 0 40 DDAB O=C(C1CCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 1361413 PPRRHLZVKJNFGL-UHFFFAOYSA-N 312.377 1.111 0 40 DDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1ncc[nH]1 1848352031 FXINPOIRUGDNNK-HNNXBMFYSA-N 314.389 1.824 0 40 DDAB NC(=O)CN1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995104 BTDAILFBNISXQA-UHFFFAOYSA-N 317.311 1.677 0 40 DDAB CN(C)CCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 21516147 OMNYOAQGEQPEQH-UHFFFAOYSA-N 320.798 1.268 0 40 DDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 2710906 VWKRLMFBGUWAGA-NXEZZACHSA-N 324.377 1.321 0 40 DDAB Cc1ccc(-n2nnnc2CNC(=O)NC(C)(C)C)cc1C 9571286 FTOJBALCTWZQGM-UHFFFAOYSA-N 302.382 1.877 0 40 DDAB COCCc1nsc(N2CCC(C(=O)NC3CC3)CC2)n1 2086883006 RVNPPQHWIXLBAQ-UHFFFAOYSA-N 310.423 1.222 0 40 DDAB CC(C)CC(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1 20405389 IYESDXPAFZZWOV-UHFFFAOYSA-N 321.421 1.696 0 40 DDAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnnn1 40535192 FBJMPIDUQFHNLN-VIFPVBQESA-N 324.182 1.183 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)[C@H]1CCS(=O)(=O)C1 40541260 MXXFRYIOBZSOMR-VIFPVBQESA-N 317.794 1.400 0 40 DDAB C[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)N1CCOCC1 40509859 ZJFQWIPIYRTGKL-IAQYHMDHSA-N 324.808 1.480 0 40 DDAB O=C(Cn1ccc2ccc(F)cc21)N[C@@H]1CCS(=O)(=O)C1 32088619 UIWQJNQZKBVPQL-GFCCVEGCSA-N 310.350 1.084 0 40 DDAB Cc1cccc(N2CCN(C(=O)CCNC(N)=O)CC2)c1C 8137477 FSOSARGCBADOCA-UHFFFAOYSA-N 304.394 1.010 0 40 DDAB O=S(=O)(NC[C@H]1CCOC1)c1ccc2c(c1)OCCCO2 45743383 UHUBRWDICKGLBR-LLVKDONJSA-N 313.375 1.163 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NCc3ccco3)nnc2n1 804316 FUAQFFSPNBBGAK-UHFFFAOYSA-N 317.374 1.743 0 40 DDAB CCn1ccc(CN(C)S(=O)(=O)c2cnn(CC)c2C)n1 20602748 DKMXZKUCMWPLTO-UHFFFAOYSA-N 311.411 1.249 0 40 DDAB CCOC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 1675891 LMMWOFYDEWQWGB-GFCCVEGCSA-N 311.359 1.238 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4186586 XCZFTKUACZLDMX-KBPBESRZSA-N 306.362 1.545 0 40 DDAB O=C(Nc1ccncc1)c1ccc(CN2C(=O)CCC2=O)cc1 32726016 QZRRWWLPLRUQFM-UHFFFAOYSA-N 309.325 1.983 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)c(C)c1 7215649 YTPPNGSGPJYXCS-UHFFFAOYSA-N 312.435 1.839 0 40 DDAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)cc1 51357213 JUOFVCJPHOOGHL-UHFFFAOYSA-N 316.317 1.472 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3occc3C)C[C@@H]21 108530267 JFONRJFRDGNXOE-KBPBESRZSA-N 308.378 1.150 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 69384635 VWFZRWSZMUQLAY-CQSZACIVSA-N 321.446 1.998 0 40 DDAB C[C@H](NC(=O)NCCOc1ccc2c(c1)OCO2)[C@H]1CCCO1 41375760 HOGVVPVCTIEOCO-WCQYABFASA-N 322.361 1.661 0 40 DDAB CN1C[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1=O 69328298 IPZFKBOYZVAVCE-OCCSQVGLSA-N 322.792 1.718 0 40 DDAB CCOC(=O)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 103248874 ODIYRIJZPRHYRT-AVGNSLFASA-N 311.451 1.824 0 40 DDAB CCn1cnnc1CNC(=O)C[C@H](NC(C)=O)c1cccs1 47020541 PPAZMGXLKWBAEO-NSHDSACASA-N 321.406 1.243 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 100634845 IARBWFOJICOXTA-RSUWNVLCSA-N 319.744 1.799 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(C=O)CC[C@]314 100393482 AZHWHXLRFIFKTO-LNINBKOHSA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C[C@@H](C)O[C@H](C)C1 24032184 XVPOLABAXGWXDG-MCIONIFRSA-N 319.405 1.510 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cccnc1 12516198 PYOWRSPGHHLBAB-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 106171710 QHJQJBAZEDZHKW-DIOULYMOSA-N 319.380 1.775 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25076145 YEHGDEORHSQBLL-UHFFFAOYSA-N 316.336 1.566 0 40 DDAB O=C(COc1ccc(Cl)cc1)N[C@]1(C(=O)O)CCSC1 43503597 DMFPLGBZFDWSEY-CYBMUJFWSA-N 315.778 1.795 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1[C@@H](C)COC[C@H]1C)C2 108351008 PHMSHQMWTGPSNL-SCRDCRAPSA-N 305.374 1.882 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCOC[C@@H]3C)ccc21 44912611 DTNARDIHBVTBGT-NSHDSACASA-N 315.373 1.586 0 40 DDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CCNS(C)(=O)=O 58344293 JHSPQBUWTQKBSS-JHJVBQTASA-N 304.456 1.503 0 40 DDAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1nccnc1N 58421615 KJEBURXBBPIZMP-UHFFFAOYSA-N 323.356 1.995 0 40 DDAB COC[C@H](C)NC[C@H](O)COc1ccc(Br)cc1 3337954 RUADYBLYKWLSEE-JQWIXIFHSA-N 318.211 1.813 0 40 DDAB COc1ccc(OC)c(NC(=O)c2nc3nccc(C)n3n2)c1 3412480 XAIMVJHHFRNYPU-UHFFFAOYSA-N 313.317 1.702 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1nccnc1N 3569262 DUORSTIIWVZQIL-UHFFFAOYSA-N 310.313 1.888 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)c1ccccn1 13072090 YRLICTHLTUGAKL-VIFPVBQESA-N 324.333 1.958 0 40 DDAB C[C@@H](C(N)=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69419882 DJQISWVTFVWEFN-VIFPVBQESA-N 313.760 1.111 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)C(C)(C)C)CC2)n1 69513790 MGSZJZYRDABJFJ-UHFFFAOYSA-N 306.410 1.878 0 40 DDAB CCn1cc(CN2CCCN(C(=O)[C@H](C)SC)CC2)cn1 69511749 FDHWBGRNRVHNSR-ZDUSSCGKSA-N 310.467 1.689 0 40 DDAB Cn1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91762616 XSLZMTFTLVMJSG-BXUZGUMPSA-N 307.300 1.646 0 40 DDAB CC(C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 5231042 SEMAVBPBNHTCFQ-INIZCTEOSA-N 304.346 1.881 0 40 DDAB Cc1ccccc1[C@H](CC(=O)Nc1nncs1)NC(N)=O 65437394 BPWONKSVVMEJLF-JTQLQIEISA-N 305.363 1.585 0 40 DDAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COC)CC1 65475232 DTAIJFXOKVOQLG-CYBMUJFWSA-N 323.412 1.791 0 40 DDAB Cc1nc2n(c1C)CCN(Cc1nnnn1-c1ccccc1)C2 65590210 FCZCQVDONYDSKE-UHFFFAOYSA-N 309.377 1.491 0 40 DDAB CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)c1 14138981 KAKTWTNMANCKIB-LHLIQPBNSA-N 303.767 1.626 0 40 DDAB O=C(O)c1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 5778242 BXJWQRFCIGSXNO-LBPRGKRZSA-N 313.313 1.569 0 40 DDAB NOCC(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 5771133 HLPYBCOYWIGYCE-MEDUHNTESA-N 300.314 1.554 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 6879241 QQJXFNBODNOMTH-YVEFUNNKSA-N 317.389 1.758 0 40 DDAB O=C1COc2ccc(C(=O)COC(=O)c3cccnc3)cc2N1 5896452 PGFRQWZIVXVMHT-UHFFFAOYSA-N 312.281 1.452 0 40 DDAB CC[C@H](C)[C@@H](C(=O)OCc1nc(N)nc(N)n1)c1ccccc1 7185517 GPGKJFZQFREGHL-GXFFZTMASA-N 315.377 1.909 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)OCC(O)=N3)[C@H]1C(=O)O 71286308 HTLGGZBODHPFSC-NEPJUHHUSA-N 304.302 1.962 0 40 DDAB COc1cccc(CN2NS(=O)(=O)c3ccccc3C2=O)c1 7973818 NNOFHUZHBFINHK-UHFFFAOYSA-N 318.354 1.545 0 40 DDAB COc1ccsc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 96010220 IQCZVZFMHXSQLO-UHFFFAOYSA-N 303.343 1.856 0 40 DDAB Cc1nccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)n1 72235490 NTLGMFWKMODYRH-ZDUSSCGKSA-N 300.366 1.471 0 40 DDAB CSCC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)O 9550291 WIHFIKJBMOSUAE-JOYOIKCWSA-N 315.366 1.916 0 40 DDAB C[C@H](Cn1cccn1)NC[C@H](O)CN1CCc2ccccc2C1 71877175 IENVCDXVNNQILO-QAPCUYQASA-N 314.433 1.280 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)nc1 71803716 RKJMQPODJUNYTB-SNVBAGLBSA-N 317.798 1.488 0 40 DDAB Cn1cc(-c2csc(NC(=O)c3ccc[nH]c3=O)n2)cn1 72295794 PVBVTPOGRHSIBL-UHFFFAOYSA-N 301.331 1.484 0 40 DDAB CCc1nc([C@H]2CCCN2c2nc(C)nc3c2cnn3C)no1 72279268 STNJICCWPANMIK-LLVKDONJSA-N 313.365 1.959 0 40 DDAB COCc1nsc(NC(=O)c2cc(F)cc3[nH]cnc23)n1 97107959 HVRLZHJJJKPZII-UHFFFAOYSA-N 307.310 1.952 0 40 DDAB COc1ccc(NC(=O)Nc2cn[nH]c2)cc1-n1nnnc1C 72313361 NAYUBVXJXCABBS-UHFFFAOYSA-N 314.309 1.346 0 40 DDAB CCN1C[C@@H](NS(=O)(=O)Cc2cccc(OC)c2)[C@H](C)C1 76058405 NIZMYKAMQAQAFD-IUODEOHRSA-N 312.435 1.455 0 40 DDAB CC[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@H]1N1CCOCC1 84735980 UIHUZTRTLAXGRR-ZIAGYGMSSA-N 307.394 1.474 0 40 DDAB O=C(CCc1nc[nH]n1)N1CCC[C@H]1COc1ccccc1 78741761 PGYLXCQDUUAQNN-ZDUSSCGKSA-N 300.362 1.807 0 40 DDAB CCN(CC)C(=O)C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 95426474 XPNGRSWNBGIADH-MRXNPFEDSA-N 317.433 1.793 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)COCc3ccccc3)CCO2)n1 78888555 ZQMFIXUPBDXPRF-AWEZNQCLSA-N 316.361 1.230 0 40 DDAB Cc1ccc([C@H](C)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)o1 95420029 DJVPENFYRUMLHS-ARFHVFGLSA-N 308.422 1.976 0 40 DDAB CCN(Cc1ccoc1)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 73263186 UAMQXDKUMNUCCE-UHFFFAOYSA-N 322.386 1.898 0 40 DDAB O=C1NCCN(C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccs1 78933214 YQLUUZVSXUTISA-CMPLNLGQSA-N 309.391 1.110 0 40 DDAB CCc1ocnc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78901414 NWGAMPBKUSBRJM-SECBINFHSA-N 317.349 1.079 0 40 DDAB C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 95982936 VPXSTQKJJHYDKV-OCCSQVGLSA-N 324.446 1.915 0 40 DDAB CNC(=O)c1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1F 95981667 UBGZCJOTAUXJLK-UHFFFAOYSA-N 316.279 1.674 0 40 DDAB Cc1noc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 95955818 YYMRHGHCTCHNPT-UHFFFAOYSA-N 314.389 1.655 0 40 DDAB Cc1cc(Cl)cc(C)c1CNCCCNS(C)(=O)=O 95975526 LJWFORDCCYGFMB-UHFFFAOYSA-N 304.843 1.986 0 40 DDAB O=C(CN1CCN(Cc2cccc(O)c2)CC1)NCC1CCC1 79014097 YLNIUDANHVYUEH-UHFFFAOYSA-N 317.433 1.426 0 40 DDAB CCS(=O)(=O)c1cccc(NC(=O)[C@@H](C2CC2)N(C)C)c1 89274637 WYJPSOXDOBRSSE-CQSZACIVSA-N 310.419 1.759 0 40 DDAB COC(=O)[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1 89371283 UURLSFLLEHQQCY-BXKDBHETSA-N 315.728 1.846 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(=O)[nH]1 75119050 QYMLEOOUMMTPSI-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB Cc1ccc(OCC(=O)Nc2cccnc2)c(-n2cnnc2)c1 32646667 JOBPTENVTBLLIB-UHFFFAOYSA-N 309.329 1.988 0 40 DDAB O=C(COCC(F)(F)F)Nc1ccc(N2CCNC2=O)cc1 60613920 MZUXWWNWUDKAOE-UHFFFAOYSA-N 317.267 1.734 0 40 DDAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)C(=O)O)cc1 218581728 RAQRABVSSMLRLU-GUTXKFCHSA-N 311.403 1.179 0 40 DDAB COCCNC(=O)[C@H](C)n1cc(C(=O)OC)c2ccccc21 409195635 JSLPZBMIBPRYPG-NSHDSACASA-N 304.346 1.752 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCn1cccc1 524734626 WOXSITQSUFYLGX-UHFFFAOYSA-N 316.409 1.632 0 40 DDAB Cc1cccc(C[C@H]2COCCN(Cc3noc(C)n3)C2)n1 72388171 IVYUOYYOGMYRFA-CQSZACIVSA-N 302.378 1.773 0 40 DDAB Cc1nc(C(F)(F)F)ccc1C(=O)N(C)CC(C)(CO)CO 182919528 XYYFWAZCIXORAK-UHFFFAOYSA-N 320.311 1.472 0 40 DDAB CN(c1ccccc1)S(=O)(=O)c1cncc(Cl)c1NN 72210746 LEEKLSMRXAIAEA-UHFFFAOYSA-N 312.782 1.846 0 40 DDAB NC(=O)c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72358307 KYONHNTUMMKKDL-ZDUSSCGKSA-N 310.357 1.595 0 40 DDAB CNc1ncc2c(n1)CN(c1ccc(-n3cccn3)cc1)C2=O 40714337 KIKQLRZZVFSZDW-UHFFFAOYSA-N 306.329 1.864 0 40 DDAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ccnc(C2CC2)n1 527566706 VPNINXMFTVYTOV-QJPTWQEYSA-N 300.366 1.439 0 40 DDAB COCCNCCNC(=O)c1ccccc1Br 195547813 KTIRPPNFDUBABJ-UHFFFAOYSA-N 301.184 1.415 0 40 DDAB CCOC(=O)c1ccc(CN2C[C@@H](C(=O)OCC)CC2=O)cc1 45953393 OCPHUGMNPHXSLL-AWEZNQCLSA-N 319.357 1.775 0 40 DDAB NCC1(NS(=O)(=O)c2cc(F)cc(Cl)c2)CCOCC1 528057530 YCVJWKZYWYXSTC-UHFFFAOYSA-N 322.789 1.265 0 40 DDAB O=C(O)c1cc(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]1 222650123 YYRMCNJTCUVOMX-UHFFFAOYSA-N 300.192 1.243 0 40 DDAB CN1C(=O)c2cccnc2O[C@H]2CN(CC3CCCC3)C[C@H]21 514290208 VUXQRXVFGUOVJK-CABCVRRESA-N 301.390 1.789 0 40 DDAB biogenic,in-vitro CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3cccs3)C2)nn1 225445101 BJOACCYHBOVDAW-LLVKDONJSA-N 318.402 1.898 0 40 DDAB COCc1nnc(NC(=O)c2n[nH]c3c2CCCCC3)s1 96231260 CHQSRZYFPFPCPM-UHFFFAOYSA-N 307.379 1.929 0 40 DDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)c2ccco2)C3)o1 97953361 IBOVYLIRLQQGLP-IUODEOHRSA-N 303.318 1.544 0 40 DDAB COCC(=O)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 96158505 FETKDCGJQSAISU-UHFFFAOYSA-N 317.433 1.933 0 40 DDAB c1coc(CN2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)c1 96054374 HXSHLMVFPXEBMA-SJORKVTESA-N 305.422 1.260 0 40 DDAB CCN(CC)[C@H]1COC[C@@H]2CN(Cc3cccnc3OC)C[C@@H]21 96186817 WKRXJOHEKRIFSH-ULQDDVLXSA-N 319.449 1.879 0 40 DDAB CN(C)C(=O)N1C[C@H]2CN(S(C)(=O)=O)c3ccccc3[C@@H]2C1 96251764 SEQDEVPNMTUBDX-WCQYABFASA-N 323.418 1.163 0 40 DDAB CCO[C@@H]1C[C@H](N(C)C(=O)CNC(=O)C2CC2)C12CCCC2 96419405 NWSBLHHHZSLRPM-UONOGXRCSA-N 308.422 1.709 0 40 DDAB O=C(c1cnccn1)N1CCN(CC2CC2)c2ncccc2C1 96198920 UQLIOVPDTKIRCB-UHFFFAOYSA-N 309.373 1.744 0 40 DDAB O=C(CN1CCOCC1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 97234617 TYUWXUCEDNMSGH-INIZCTEOSA-N 322.380 1.182 0 40 DDAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)N3CCCC3)O2)n1 97953575 HAPCXBGFXOYIJQ-UPJWGTAASA-N 306.366 1.888 0 40 DDAB CC(=O)N1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 96111632 PCXLOZYGNIFOKB-ZFWWWQNUSA-N 300.358 1.811 0 40 DDAB biogenic,in-vitro CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cnnn1 96412212 NUOWEMAFKSVRST-RNCFNFMXSA-N 309.757 1.219 0 40 DDAB CCn1cc(C(=O)N2CC[C@@H](c3nc(C)cn3C)C2)c(C)n1 257300706 RVJPYFAMYYYRLF-CYBMUJFWSA-N 301.394 1.883 0 40 DDAB CCc1nccn1CCC(=O)N1CCOC[C@H]1c1[nH]ncc1C 257202335 ALIGFVWJHCLCCG-ZDUSSCGKSA-N 317.393 1.467 0 40 DDAB CCn1cc(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)cn1 257300162 RTDZSCATJTULRV-ZDUSSCGKSA-N 303.366 1.159 0 40 DDAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CNC2 257244363 IKYZVOJARTZSBD-CQSZACIVSA-N 302.353 1.105 0 40 DDAB O=C(C1CCC1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257243241 IGAAGEYPKRAXTG-HZPDHXFCSA-N 314.385 1.425 0 40 DDAB CC(=O)N1CCC(Cc2cccc(N3CCOC3=O)n2)CC1 257234780 GVBOGQWIBBEXLW-UHFFFAOYSA-N 303.362 1.839 0 40 DDAB Cc1c(CNCc2cnn(CCF)c2)cnn1CC(F)F 256051524 JMFXBHNPGXWTMO-UHFFFAOYSA-N 301.316 1.912 0 40 DDAB CNC(=O)CCNC(=O)c1ccc(-c2cccs2)nc1C 257173864 ZOVXXUFZCCJLLN-UHFFFAOYSA-N 303.387 1.984 0 40 DDAB Cn1cc([C@H]2CCCCN2C(=O)c2cccn(C)c2=O)cn1 548676108 MMDSKFWOZFZGOO-CQSZACIVSA-N 300.362 1.486 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2)C1 52669119 UPHMZEAOJFXUEY-ZDUSSCGKSA-N 302.827 1.854 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3C[C@H]3C)C2)OC1 575405928 KYQYJFZGSXSESA-RDBSUJKOSA-N 308.422 1.422 0 40 DDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575406234 WFHODGMMWYBTJD-AWEZNQCLSA-N 320.393 1.367 0 40 DDAB CC(C)(C)c1noc(CCC(=O)N2CCC3(CC2)OCCO3)n1 48251784 KWZFRJXSNMVWRX-UHFFFAOYSA-N 323.393 1.665 0 40 DDAB CS(=O)(=O)CCN1CCn2cccc2[C@@H]1c1ccccc1 48354177 HOIFMFVLNZVNDD-INIZCTEOSA-N 304.415 1.938 0 40 DDAB Cc1cnn(CC(=O)N2CCCN(c3nc(C)cs3)CC2)c1 56999534 ZHBDOAIUYJIGPA-UHFFFAOYSA-N 319.434 1.695 0 40 DDAB O=C(CNc1ccccc1Cl)N1CCN(C(=O)C2CC2)CC1 55824491 RZRATZOYJYJEPY-UHFFFAOYSA-N 321.808 1.833 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)CCc1cc(F)ccc1F 69743974 IIOBLWXSFWQFJN-HNNXBMFYSA-N 310.344 1.880 0 40 DDAB CSC[C@H](CCO)Nc1cncc(-n2nc(C)cc2C)n1 77236699 PAZABTMVJBKMTO-LBPRGKRZSA-N 307.423 1.805 0 40 DDAB Cc1ccc(OCCNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 78998890 ZWFBAORRLHZCLG-CYBMUJFWSA-N 311.403 1.315 0 40 DDAB COc1cc(CNC[C@H](C)O)cc(Br)c1OC 8497865 ZPIWHVFPMMVYTH-QMMMGPOBSA-N 304.184 1.937 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 5368544 FMMCKONUOQGALJ-KHMAMNHCSA-N 313.353 1.713 0 40 DDAB COc1ccc2cc(C)c3nn(CC(=O)N(C)C)c(=O)n3c2c1 12181565 OQRDOUODSKPQFN-UHFFFAOYSA-N 314.345 1.054 0 40 DDAB COc1ccc(OC)c2c1cc(C(=O)N1CC[C@@H](CO)C1)n2C 12290565 YOSJCNSEMZWZEJ-LLVKDONJSA-N 318.373 1.650 0 40 DDAB CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 12390236 GOZCAPZCUNZFRK-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB Cc1cccc2c(=O)c(NC(=O)N3CCC[C@@H](O)C3)c[nH]c12 13565880 ZNNCJYBCYPUFHF-LLVKDONJSA-N 301.346 1.825 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H]1SC[C@H](C(=O)O)NC1=O 13636894 RHDCPEDMIKAZRK-MNOVXSKESA-N 308.359 1.008 0 40 DDAB CCOC(=O)C1CCN(CC(=O)NCc2ccc(C)cc2)CC1 16476479 YIXHFRVLFLUMKY-UHFFFAOYSA-N 318.417 1.886 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)/C=C\c2ccccc2)cc1 16951356 DRDKNAUOBNKFGM-WDZFZDKYSA-N 302.355 1.986 0 40 DDAB Cc1oncc1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225447872 HFASDCMCKSPIHI-LLVKDONJSA-N 317.349 1.133 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 245070547 QONXGSVWOAHLBI-BPLDGKMQSA-N 308.378 1.677 0 40 DDAB COc1ccc(S(=O)(=O)NCCC(=O)O)c2ccccc12 35685428 YDLZRKOATVKIOT-UHFFFAOYSA-N 309.343 1.601 0 40 DDAB COc1ccnc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n1 1888853127 WFMANXDQPGKUQD-CHWSQXEVSA-N 324.340 1.111 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2ncnc3sccc23)CCO1 1889085884 CUWKWTMRKIIHKC-LLVKDONJSA-N 304.375 1.175 0 40 DDAB O=C(c1ccoc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25819138 HGELWXWGVOSDKF-GFCCVEGCSA-N 309.343 1.702 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)C1(F)CCC1)CC2 1565550692 DLUFTHCEEYPZEE-UHFFFAOYSA-N 311.445 1.897 0 40 DDAB CCCOc1ccnc2c1c(=O)n(CCC(C)C)c(=O)n2C 9571965 JFBIYQMTYPCEBU-UHFFFAOYSA-N 305.378 1.930 0 40 DDAB Cc1csc2nc(O)c(C(=O)NCc3ccco3)c(=O)n12 10166718 BBQWCMRZORCRQR-UHFFFAOYSA-N 305.315 1.293 0 40 DDAB CC(C)CNC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 23127498 UFTWAGQCOAXWPN-UHFFFAOYSA-N 321.421 1.380 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(F)cc1Cl 217602926 ATXDMTPVBOLZPZ-CABZTGNLSA-N 315.728 1.882 0 40 DDAB Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(N2CCCC2)n1 49410858 FJWHYZWKOOSDSF-UHFFFAOYSA-N 312.373 1.791 0 40 DDAB COC[C@](C)(CNS(=O)(=O)Cc1ccccc1Cl)OC 575613610 VFINZAYZHBOQAI-ZDUSSCGKSA-N 321.826 1.811 0 40 DDAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 40466504 JGLZSCFHPKJRSK-MRVPVSSYSA-N 300.405 1.395 0 40 DDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cnccn1 40493896 NSRPSMAOQYDKPM-LLVKDONJSA-N 319.386 1.713 0 40 DDAB O=C(O)c1cc(Br)cnc1OC1CCNCC1 40447910 VXMXIRUDQBAEQD-UHFFFAOYSA-N 301.140 1.673 0 40 DDAB CNC(=O)CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1 40487832 VSKOJXJVXHBCNA-UHFFFAOYSA-N 319.336 1.618 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H](C)O1 40488143 FJJJSQBPFRRJKN-STQMWFEESA-N 316.357 1.739 0 40 DDAB CCN(CC)C(=O)C[C@]1(C)NC(=S)N(c2ccccc2)N1 128645 WOQYEHNRIHUJDW-OAHLLOKOSA-N 306.435 1.860 0 40 DDAB O=C(CCN1CCSC1=O)Nc1cccnc1-n1cccn1 40504947 JPUKAFWNXMZILF-UHFFFAOYSA-N 317.374 1.765 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CCSCC1 40553528 VRGQBCGHHOGSGB-UHFFFAOYSA-N 322.434 1.177 0 40 DDAB C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 40526592 WBBPOMIBNWEGEZ-QWRGUYRKSA-N 312.391 1.731 0 40 DDAB O=C(NCC1CCCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 51189852 MEXBKOFLLAMEAP-HNNXBMFYSA-N 323.437 1.457 0 40 DDAB Cc1cc(CN2CCN(Cc3noc(C(C)(C)C)n3)CC2)on1 51153914 ZEVNDNXCIWRTNR-UHFFFAOYSA-N 319.409 1.981 0 40 DDAB COc1ccc(CC(=O)n2nc(O)cc(C)c2=O)cc1OC 31951 RDKXSXPYXYESQS-UHFFFAOYSA-N 304.302 1.157 0 40 DDAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N1CCOCC1 415826 WTOMFNNESHEXBC-UHFFFAOYSA-N 323.349 1.827 0 40 DDAB CCOC(=O)[C@H](CCCN1C(=O)c2ccccc2C1=O)C(C)=O 2565352 XDGCOSMBEZEXSN-GFCCVEGCSA-N 317.341 1.831 0 40 DDAB CCc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)C=C(C(=O)O)N2 20724985 FLRGKFMXFXBFGL-JTQLQIEISA-N 316.317 1.538 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 20723486 CMDHYAUFEBVHIZ-SNVBAGLBSA-N 303.297 1.502 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccs3)ccc21 20856188 HJHBOFFYYQCAGP-UHFFFAOYSA-N 324.383 1.672 0 40 DDAB CCN1C(=O)C[C@@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O 10168092 ZUDHBPJVORNGOK-GFCCVEGCSA-N 323.780 1.358 0 40 DDAB COc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1OC 21821869 HSVMFJFYVRRGBV-RYUDHWBXSA-N 308.378 1.752 0 40 DDAB CN1CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 101274055 HVURISGLOUXEOT-CYBMUJFWSA-N 307.781 1.219 0 40 DDAB O=C(NCCNC(=O)C1CC1)C1=NO[C@@H](c2ccccc2)C1 52998273 CYMARNRZYSXCGR-CQSZACIVSA-N 301.346 1.146 0 40 DDAB CN1C(=O)C(=O)N(CN2CCC(Cc3ccccc3)CC2)C1=O 22408665 JRCOJHPGRDYQMH-UHFFFAOYSA-N 315.373 1.319 0 40 DDAB CCn1nc(C)c2nc(C)nc(N[C@@H]3CCS(=O)(=O)C3)c21 57355786 NQIQSQGCCHESHZ-SNVBAGLBSA-N 309.395 1.062 0 40 DDAB Cc1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1C 54531495 UYPJIPJENAQETH-UHFFFAOYSA-N 317.433 1.284 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)C(C)(C)C)cc1 12588437 RKZSHVYKFCAJOJ-SNVBAGLBSA-N 320.393 1.927 0 40 DDAB CCOc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@H](C)O2 106585525 DKPOTJFJCJANAX-SUMWQHHRSA-N 320.433 1.829 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC(=O)OC12CCCCC2 57355686 UFHMWIONYLDDCL-CQSZACIVSA-N 319.405 1.919 0 40 DDAB O=C(c1cnns1)N1CCCN(Cc2cccs2)CC1 47831380 DNDDNSNEAXYSHN-UHFFFAOYSA-N 308.432 1.948 0 40 DDAB CCn1nc(C)c2c1cnn2CCNC(=O)Cc1cccs1 57279080 SQUNGCIHJHKOKT-UHFFFAOYSA-N 317.418 1.982 0 40 DDAB Cn1c(S)nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O 102777496 JIMRJXBFJSOMCY-SNVBAGLBSA-N 319.386 1.131 0 40 DDAB Cc1cccc(OCCN2CCCN(S(C)(=O)=O)CC2)c1 43613852 HOAKCEXVWGZHNR-UHFFFAOYSA-N 312.435 1.341 0 40 DDAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccnc2)n2nnnc2N1 35148026 QEKJEBXGENSOIY-GFCCVEGCSA-N 314.349 1.699 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)[C@H]1CO 107539883 PFXGYPQGHQUNHI-KOLCDFICSA-N 304.799 1.517 0 40 DDAB Cc1nnc([C@@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)o1 58225190 HHSCOAPJWHTRDC-YPMHNXCESA-N 308.382 1.010 0 40 DDAB CC[C@H](C)C(=O)NCC(=O)NCc1nc2ccccc2n1CC 58247136 AYHQJLAYGYYJJI-LBPRGKRZSA-N 316.405 1.835 0 40 DDAB CN(C)CCCNCCCNC(=O)c1nc2ccccc2s1 22473364 NVVFXLXTBVJHNQ-UHFFFAOYSA-N 320.462 1.958 0 40 DDAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 36179668 UFPIDJNSTMWISU-CQSZACIVSA-N 309.387 1.803 0 40 DDAB COc1c(CN[C@H](C)c2nnc3n2CCC3)c(C(C)C)nn1C 58391404 WESBRRDDGYUJBW-LLVKDONJSA-N 318.425 1.941 0 40 DDAB CCN(CCCNC(=O)CCNc1ccc(OC)cc1)C(C)=O 58421436 KFQITTIWILIMEZ-UHFFFAOYSA-N 321.421 1.872 0 40 DDAB CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)O 36377894 ZGBBDTSPDSBUSY-SECBINFHSA-N 302.377 1.008 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 58846981 NDGKPSUVTGIKSA-YGRLFVJLSA-N 307.346 1.775 0 40 DDAB C[C@@H](NC(=O)C(=O)NCc1ccncc1)c1ccc(F)cc1 22540617 ASNHMTWGYZZIJW-LLVKDONJSA-N 301.321 1.714 0 40 DDAB NS(=O)(=O)c1cccnc1NCC1(c2ccccc2)CC1 69597561 LOENUDHYGXGDAJ-UHFFFAOYSA-N 303.387 1.873 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)[C@@H]2CCCO2)CC1 69656054 IKENQIAUIYZYSL-AWEZNQCLSA-N 306.410 1.116 0 40 DDAB Cc1c(C(=O)OCC(=O)N(C)Cc2ccccc2)cnn1C 13296747 ADYAGBMZSLSZPC-UHFFFAOYSA-N 301.346 1.544 0 40 DDAB CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc1 13690569 CIEWDDXLSXJHCD-NSHDSACASA-N 301.306 1.199 0 40 DDAB COC(=O)c1cccc(Nc2ncccc2S(N)(=O)=O)c1 65183161 HZHUKLFEBDUXNQ-UHFFFAOYSA-N 307.331 1.259 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 65414404 VEEHZSSEUOMSDS-GFCCVEGCSA-N 307.369 1.247 0 40 DDAB CCCn1c(O)nnc1SCC(=O)Nc1nc(C)cs1 14094284 RTSKBHADYFGFHZ-UHFFFAOYSA-N 313.408 1.889 0 40 DDAB CNC(=O)CN(C)C(=O)c1ccc(-c2nc(C)cs2)cc1 65592099 QAOYOXDTDRGKEQ-UHFFFAOYSA-N 303.387 1.937 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ncc(C(N)=O)s1 14170108 VRBZQKKZURMSOX-SSDOTTSWSA-N 309.322 1.787 0 40 DDAB Cn1cc(/C=C/C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cn1 14228894 VMIQMBPFQHFFRD-GORDUTHDSA-N 320.299 1.466 0 40 DDAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC1CC1 6509471 ULVFTWYJWNQJHO-ZDUSSCGKSA-N 322.430 1.825 0 40 DDAB CCOC(=O)CNC(=O)Cc1ccc(Br)cc1 4690920 YIXUCJCOEHBRPW-UHFFFAOYSA-N 300.152 1.671 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CCOC1=O 14914148 FRMARLHTFSMNNS-LLVKDONJSA-N 312.753 1.534 0 40 DDAB CCN1C[C@H](C(=O)N(CC(F)(F)F)c2ccccn2)CC1=O 60059227 JMKANSGSNYPGCF-SNVBAGLBSA-N 315.295 1.845 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C1=Cc2ccccc2OC1 68138450 FUINMHHNGTVJSQ-WCQYABFASA-N 300.358 1.575 0 40 DDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCS(=O)(=O)CC2)c1 96440906 WWMUZOYQMAYKJU-CQSZACIVSA-N 324.446 1.674 0 40 DDAB Cc1ncsc1CNC(=O)NC1CCN(CC(F)F)CC1 71803990 PAKXBVQZBKYVNC-UHFFFAOYSA-N 318.393 1.980 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCC1=O 71847032 YRXVDXBLCXDGHN-ZFWWWQNUSA-N 319.409 1.089 0 40 DDAB COc1ccc(CC(=O)N2CCCN(C(C)=O)CC2)cc1OC 71876841 PBNMNGFMVRCATN-UHFFFAOYSA-N 320.389 1.327 0 40 DDAB C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)[C@H](C)CO1 71828388 XKIXCIBDXXQOTF-NEPJUHHUSA-N 300.358 1.706 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)n1cncn1 71866612 CASGVLXYCHZVRU-UONOGXRCSA-N 302.382 1.363 0 40 DDAB CCOC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 71821395 RMQKEHBNVXJYMY-UHFFFAOYSA-N 302.378 1.918 0 40 DDAB CCCCn1nnnc1CN1CCCC[C@@H]1Cn1cccn1 71875221 PFOSQQITPFRXTL-CQSZACIVSA-N 303.414 1.724 0 40 DDAB C[C@H](CNC(=O)c1c(F)cccc1Cl)N1CCN(C)CC1 71867426 GJTPAFKYIKBJFU-LLVKDONJSA-N 313.804 1.845 0 40 DDAB COCCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 71877723 IEAITZORVRIDHR-UHFFFAOYSA-N 308.813 1.752 0 40 DDAB COc1ccc(CCC(=O)NCC2(N(C)C)CCOCC2)cc1 71905386 MZGADAGLWLANPT-UHFFFAOYSA-N 320.433 1.855 0 40 DDAB NC(=O)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)C1 71955456 NVWFHZFDIDYRCI-GFCCVEGCSA-N 308.345 1.103 0 40 DDAB Cc1nc([C@H]2CCCN(c3ncc(C(N)=O)cc3Cl)C2)no1 72274829 QEYHNBKCTMXLCM-VIFPVBQESA-N 321.768 1.909 0 40 DDAB Cc1n[nH]c2c1[C@@H](c1cccc(O)c1)c1c([nH]c(=O)[nH]c1=O)N2 72406062 OKKQPDFOPZPTJY-SNVBAGLBSA-N 311.301 1.038 0 40 DDAB O=c1[nH]c(N[C@H]2CCC[C@@H]2O)nc2c1cnn2-c1ccccc1 76063178 IZLDPRBREDYQAB-STQMWFEESA-N 311.345 1.434 0 40 DDAB CCN1C(=S)NN[C@]1(O)c1cccc(Br)c1 67321291 ZAPZOTLMUQYNSW-SNVBAGLBSA-N 302.197 1.266 0 40 DDAB CN(C)c1cccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 78026225 YSBWMXOAHLSQLO-ZDUSSCGKSA-N 302.296 1.892 0 40 DDAB O=C(Nc1nnn[nH]1)c1c(-n2cccc2)sc2c1CCC2 95442940 IGKHVCDHABGIRN-UHFFFAOYSA-N 300.347 1.793 0 40 DDAB COC(=O)C[C@H]1CN(Cc2c(C)nc3ccccn23)CCO1 95413181 CQDDGONNBPXTRU-ZDUSSCGKSA-N 303.362 1.407 0 40 DDAB NC(=O)C1(NS(=O)(=O)c2ccc(Cl)s2)CCCC1 78806493 MUXYAJQUMMLQDE-UHFFFAOYSA-N 308.812 1.478 0 40 DDAB Nc1c(C(=O)NC(C2CCCC2)C2CCCC2)[nH]c(=O)[nH]c1=O 73796689 YGZNJUWNOUUCBJ-UHFFFAOYSA-N 320.393 1.124 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC(=O)N(C)C2)cc1 79023868 KEOYOMVQHRYZBY-ZFWWWQNUSA-N 317.389 1.772 0 40 DDAB CC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95956466 XANOTTUVWKDALS-AWEZNQCLSA-N 308.403 1.390 0 40 DDAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C1CCOCC1 95948668 XHGISWSODCFNAS-OAHLLOKOSA-N 316.357 1.706 0 40 DDAB CCn1cc(S(=O)(=O)N[C@H]2C[C@](C)(OC)C2(C)C)cn1 74975524 GJUMHCPHZPHMTB-AAEUAGOBSA-N 301.412 1.385 0 40 DDAB Cc1cc(F)cc(S(=O)(=O)NC(=O)CCn2cccn2)c1 89585510 NHVZFLVBDUTZMZ-UHFFFAOYSA-N 311.338 1.226 0 40 DDAB O=C(c1cocn1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1 306131357 KCJPBDHHCUPWCB-CYBMUJFWSA-N 315.377 1.239 0 40 DDAB CCNC(=O)c1ccc(OCC)c(S(=O)(=O)NCC)c1 408696577 CJFSXIKNZPZHSB-UHFFFAOYSA-N 300.380 1.133 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCC(c3nnc(O)o3)CC2)[C@H]1C 529273137 SJRMDGGSRKUGJT-GUDRVLHUSA-N 309.366 1.541 0 40 DDAB NCCN(C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391852 YZJZMZMHGNEDCT-INIZCTEOSA-N 303.406 1.821 0 40 DDAB NC(=O)CN1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 72360939 VOCFLJNEMBHYRP-LBPRGKRZSA-N 312.377 1.280 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(CO)CO 218373940 KEVJQDACSWWOLC-VXGBXAGGSA-N 304.795 1.212 0 40 DDAB COc1ccccc1S(=O)(=O)Nc1ccc(N(C)C)nc1 78556716 VQXSUFOOWIIGIJ-UHFFFAOYSA-N 307.375 1.957 0 40 DDAB Cc1cc(C(=O)N(C)Cc2ccco2)nc(N2CCOCC2)n1 71195482 DTLQUCIONJZVPO-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB Cc1cc(C(=O)N(C)Cc2ncnn2C)nn1-c1ccccc1 73391040 HVDARXRTQZVEQM-UHFFFAOYSA-N 310.361 1.581 0 40 DDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccco1 71980144 USFWRRDWNGDNIN-LLVKDONJSA-N 308.334 1.017 0 40 DDAB COc1ccccc1OCc1nc(N)cc(SCC(=O)O)n1 49470151 ODRHJICVHOPCCB-UHFFFAOYSA-N 321.358 1.823 0 40 DDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)C2 79427348 WKMKPFUZCWNEMJ-IAGOWNOFSA-N 324.380 1.950 0 40 DDAB O=C(O)c1ccc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)cc1 567501722 DRXHTILEEHJWJD-NSHDSACASA-N 316.317 1.228 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc2[nH]c(Cl)nc2c1 225975397 BSNOPOYLNCYUAM-UHFFFAOYSA-N 308.769 1.278 0 40 DDAB CC(C)C[C@@H]1C(O)=NCCCN1C[C@H]1CCCS(=O)(=O)C1 328749617 BRSZUXSGJLXPPF-ZIAGYGMSSA-N 316.467 1.888 0 40 DDAB COc1ccc(C(=O)NCCNc2nc(C)cnc2C)cc1 195563726 IUCYELCXNOEJQC-UHFFFAOYSA-N 300.362 1.944 0 40 DDAB COCC(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](N(C)Cc2ccco2)C1 96040681 OQFDCEDLRJRHCX-LXZKKBNFSA-N 322.405 1.364 0 40 DDAB COC(=O)c1sc(NC(=O)[C@H]2CC(=O)OC2(C)C)nc1C 96114588 RNPBIVYPTBKDAK-SSDOTTSWSA-N 312.347 1.518 0 40 DDAB biogenic CC1(C)O[C@H]2NC(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3OC[C@@H]21 96306166 RABQDEDLDXSAFJ-QVSJOPQTSA-N 302.330 1.369 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N1CC[C@H](CNc2ccccn2)C1 97200480 JNBQLXZHEADMFS-HUUCEWRRSA-N 318.421 1.063 0 40 DDAB CC(C)Cn1ncnc1CN[C@]1(CO)CCc2ccccc21 97233693 XGMVAQPLAIZGAO-KRWDZBQOSA-N 300.406 1.858 0 40 DDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cn(C(C)C)cn1 97102318 LGFQLUZOTAFPTO-GFCCVEGCSA-N 300.428 1.227 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)[C@H](C1CC1)N1CCCC1 97376663 NYSPNEOEEYGECF-HNNXBMFYSA-N 317.437 1.375 0 40 DDAB Cc1nnc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)s1 96209917 FWBUQDQPEYRQIM-HIFRSBDPSA-N 308.451 1.785 0 40 DDAB Cc1ocnc1CNC(=O)N1CCN(C(=O)c2ccco2)CC1 92520657 UCHOLQPPAFDLOH-UHFFFAOYSA-N 318.333 1.244 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96216954 AYTDSAJMFRPHIF-RHSMWYFYSA-N 316.405 1.475 0 40 DDAB CSC[C@@](C)(O)CN[C@@H](C)Cn1cc(Br)cn1 96478072 UYEDUWLAKRVDTF-ONGXEEELSA-N 322.272 1.738 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@]3(COCCN(C)C3)C2)cn1 96076199 QGNSQEWLVXODBH-KRWDZBQOSA-N 303.406 1.574 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cccc(-c3cc[nH]n3)n2)CC1 257218892 DESYNQKMYZIWGJ-UHFFFAOYSA-N 320.418 1.686 0 40 DDAB COc1cccc(CS(=O)(=O)N[C@@H]2CCCC[C@H]2CN)c1 252509564 YQNWEKDVDBQPPD-DZGCQCFKSA-N 312.435 1.632 0 40 DDAB O=C(O)c1cc(-c2cccc([C@H]3CNCCO3)n2)ccc1O 257201938 AJSABCUMZIMECE-OAHLLOKOSA-N 300.314 1.813 0 40 DDAB CC(=O)N1CCC[C@H]2N(C(=O)c3ocnc3C)CCC[C@@]21C 257286132 PKLANIHWPFMBJJ-CJNGLKHVSA-N 305.378 1.989 0 40 DDAB COc1nccn2c(CNC(=O)c3cc4ccccn4c3)nnc12 253472102 JAVWUZACZVUCCL-UHFFFAOYSA-N 322.328 1.316 0 40 DDAB O=C(Cn1ccc2ccccc21)NCCOCCn1ccnc1 575620328 RXOLEYIWPBYCJL-UHFFFAOYSA-N 312.373 1.671 0 40 DDAB CCOC(=O)[C@@H]1CN(C(=O)C2(F)CCC2)Cc2ncn(CC)c21 585110606 HMYQLKSVFZMOSA-LLVKDONJSA-N 323.368 1.784 0 40 DDAB Cc1nccc(N2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)n1 585182030 KHEYSJVPLFVEHM-LLVKDONJSA-N 321.406 1.643 0 40 DDAB CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)cc1 585269679 HUTVFNRVOTXKLC-IRXDYDNUSA-N 308.422 1.209 0 40 DDAB O=C1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CCN1 47717857 GPAGFKFGSGTNKU-UHFFFAOYSA-N 302.252 1.086 0 40 DDAB Cc1cc(=O)n2ncnc2n1C[C@@H](O)c1cc(F)ccc1F 51319813 GPCBPMWTCBPJFC-GFCCVEGCSA-N 306.272 1.211 0 40 DDAB CC(C)(C)c1nnc(N2CCN(c3ncccn3)CC2)s1 268511668 USMPZQAFIDIPMC-UHFFFAOYSA-N 304.423 1.952 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC(c3ccc4cccnc4n3)CC2)N1 655265404 SJVIWBZTVNLDCA-OAHLLOKOSA-N 324.384 1.614 0 40 DDAB O=C(Nc1cccc(F)c1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549161760 KRYIBOSEGWQTFC-UHFFFAOYSA-N 319.336 1.986 0 40 DDAB CC(C)n1cnnc1SCC(=O)NC(=O)c1ccccc1 5417184 WSBZWQBUBYGGJQ-UHFFFAOYSA-N 304.375 1.908 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)NC3CC3)c(=O)c1n2C 12183580 VIJGPBZYLIWFFO-UHFFFAOYSA-N 300.318 1.068 0 40 DDAB Cc1ccnc(NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)c1 12667082 SLWWUHFWHCGWLU-NSHDSACASA-N 316.386 1.931 0 40 DDAB NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 13758812 OVTYKIUGSFYWRG-HYVNUMGLSA-N 306.381 1.979 0 40 DDAB CC(=O)N[C@@H](CSCC(=O)c1ccc(Cl)cc1)C(=O)O 16320982 FMKVGVMYQCBABL-NSHDSACASA-N 315.778 1.845 0 40 DDAB O=c1[nH]n([C@@H]2C=C[C@@H]3[C@@H]2[C@H]2C=C[C@H]3C2)c(=O)n1-c1ccccc1 100350024 FQVQAXRHYGQZAT-AMSCCUFHSA-N 307.353 1.877 0 40 DDAB CC[C@H](C)[C@H](NC(=O)Cc1cn2cccc(C)c2n1)C(=O)O 31958375 HDCKCOKFDVVBIY-HZMBPMFUSA-N 303.362 1.801 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@@H](NCC3CC3)CS2)C1 2056224223 MHHVZUUAZSTFEI-CYBMUJFWSA-N 304.419 1.176 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3nc(C)cc(C)n3)C2)nc1 2087126174 YZRQPCYWLGBLBT-GFCCVEGCSA-N 301.350 1.550 0 40 DDAB O=C(N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1)C1(F)CC1 1565549324 VIYVEPNGAWOABF-GJZGRUSLSA-N 319.380 1.385 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)C(=O)NCCC2=CCCCC2)o1 49026910 FNCHAQQDDAGZRR-CQSZACIVSA-N 320.389 1.744 0 40 DDAB O=C(c1ccc2nccnc2c1)N1CCN(CC(F)(F)F)CC1 282757332 KFZBZACICDLHPB-UHFFFAOYSA-N 324.306 1.950 0 40 DDAB O=C1NCCN1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 206713368 LKSIHJMSAAEBPI-JTQLQIEISA-N 317.267 1.474 0 40 DDAB COCCn1nc(C(=O)N2CCCc3ccccc32)ccc1=O 40467773 ILXBDTLFGUDVDW-UHFFFAOYSA-N 313.357 1.483 0 40 DDAB COCCOCC(=O)N[C@H](c1ccccc1)c1nccn1C 40476130 CZWOTONUFPNHAN-OAHLLOKOSA-N 303.362 1.289 0 40 DDAB 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1.254 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)ccn1 257258528 KUJRRFRHQSVHMP-INIZCTEOSA-N 314.389 1.885 0 40 DDAB COc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)O)CC2)cc1 41539047 SFTQCYDQEXJAPE-NSHDSACASA-N 307.346 1.786 0 40 DDAB O=C(CNc1ccccc1Cl)N[C@H]1C=CS(=O)(=O)C1 575419592 WPIBQWBZAIKSBY-VIFPVBQESA-N 300.767 1.179 0 40 DDAB COCCN1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 585111445 ANFFFUFTCSSWPX-STQMWFEESA-N 321.421 1.797 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN(C)S(C)(=O)=O)o1 47642740 MURSFRSEFYGNEL-JQWIXIFHSA-N 314.407 1.253 0 40 DDAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H]1CCCNC1=O 50637418 YVZFTBVSAKDCAH-OAHLLOKOSA-N 312.369 1.859 0 40 DDAB NC(=O)[C@H](NCCOc1ccc2c(c1)OCO2)c1ccccc1 56162180 MLCVLJGIUAQNFI-MRXNPFEDSA-N 314.341 1.610 0 40 DDAB CN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@@H]3O)cc2C1=O 77151366 LWRMFWGTXRZQNV-RISCZKNCSA-N 316.357 1.193 0 40 DDAB C[C@H](CC(=O)Nc1cccc2c1CCNC2=O)c1cnn(C)c1 562716437 LYSQMQKWAXIECH-LLVKDONJSA-N 312.373 1.838 0 40 DDAB COc1cc(O)c2c(c1O)[C@@]1(C)C(=O)CCC[C@@]1(O)CC2=O 5460222 DIAIAAXIAGNHSL-HZPDHXFCSA-N 306.314 1.435 0 40 DDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1F 14268138 VOGOIGCEUVYYBC-UHFFFAOYSA-N 305.309 1.390 0 40 DDAB O[C@H](COc1ccccc1Br)CN1CCNCC1 19229518 LXGBDGCDSQBZQA-NSHDSACASA-N 315.211 1.094 0 40 DDAB COc1ccnc(N2C[C@@H]3CN(Cc4cc(C)on4)C[C@@H]3C2)n1 1888843371 GPMGBKAJYRLFBD-BETUJISGSA-N 315.377 1.350 0 40 DDAB O=c1c2ccccc2nnn1C[C@H](O)COc1ccc(F)cc1 24719587 GHLBADARWKYWDF-LBPRGKRZSA-N 315.304 1.371 0 40 DDAB O=C(c1cc(Cl)ccn1)N1CCN(c2cnccn2)CC1 25343843 UWBUOKOJAAZVOE-UHFFFAOYSA-N 303.753 1.487 0 40 DDAB O=C1[C@H](N2CCC(Oc3ncc(F)cn3)CC2)CCN1C1CC1 1776009460 NKHQQOCRJXOMCZ-CQSZACIVSA-N 320.368 1.222 0 40 DDAB Cn1cnc(S(=O)(=O)NCCOc2ccccc2)c1Cl 28323432 XRYDBCYXQJOJSJ-UHFFFAOYSA-N 315.782 1.431 0 40 DDAB CN1CCCC[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 2037984866 QAXOXDFEJGXNPD-KRWDZBQOSA-N 320.364 1.679 0 40 DDAB CO[C@H]1CO[C@]2(CCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1565551420 FEZLHPLCRSWEDJ-BXUZGUMPSA-N 311.769 1.540 0 40 DDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cc[nH]n1)CC2 1565551703 QTSGSJTYBRABJY-UHFFFAOYSA-N 314.345 1.141 0 40 DDAB O=C(NC1CC1)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055717914 FLBXOSHZPQQZKF-SNVBAGLBSA-N 302.378 1.006 0 40 DDAB O=C(/C=C/c1ccoc1)NCC1CCN([C@@H]2CCOC2)CC1 575415731 YUYHCPBXSUPBKQ-XGBNDESESA-N 304.390 1.910 0 40 DDAB COc1nc(CNC(=O)c2cc3ccccc3o2)nc(OC)n1 575605391 ACOFBCGCGMDPCE-UHFFFAOYSA-N 314.301 1.565 0 40 DDAB O[C@H]1CCN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 664601170 QDYUZANFQHGWJP-NSHDSACASA-N 316.327 1.531 0 40 DDAB COC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 495539689 HPKWXFBFNUZRGP-UHFFFAOYSA-N 314.348 1.517 0 40 DDAB CCOc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1OCC 30011278 FCAVTSVYBYYEMW-NSHDSACASA-N 321.377 1.836 0 40 DDAB O=C1CSc2ccc(C(=O)NCCCn3cncn3)cc2N1 31443865 LEWWKHVRGLWWRQ-UHFFFAOYSA-N 317.374 1.142 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 40549751 OZPQFPYYTDOBCO-UHFFFAOYSA-N 306.753 1.392 0 40 DDAB CC(=O)[C@H](CS(=O)(=O)c1ccccc1)C(=O)C(F)(F)F 100923731 BJVKCTHEWGLZIH-JTQLQIEISA-N 308.277 1.797 0 40 DDAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(F)c1 29080134 LLEHVEHOIQBOGD-UONOGXRCSA-N 303.337 1.944 0 40 DDAB NC(=S)NC(=O)COc1ccc(Br)cc1Cl 359131 MGCXETULVPTQNE-UHFFFAOYSA-N 323.599 1.841 0 40 DDAB COc1ccc2c(c1)NC(=O)[C@@]21NC(=O)c2cccc(C)c2N1 59589536 ZKKWVRGDZAYYRM-KRWDZBQOSA-N 309.325 1.964 0 40 DDAB Cn1cnc2c1CCN(CCS(=O)(=O)c1ccccc1)C2 69484947 WIPSQQVWDQWANH-UHFFFAOYSA-N 305.403 1.252 0 40 DDAB O=c1/c(=C\c2ccc(Br)cc2)sc2ncnn12 208274 NNZFABCEKKYIQH-WEVVVXLNSA-N 308.160 1.461 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)C(=O)NC2CCCC2)c(OC)c1 60354129 PEARZALISWBZCS-NSHDSACASA-N 320.389 1.881 0 40 DDAB O=C(O)CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1 2948995 LQYBBCQUTUGQDR-LUAWRHEFSA-N 318.285 1.234 0 40 DDAB CCc1ccc(OCc2nnc(SCC(N)=O)n2C)cc1 4167971 JTOILEUXRRCHEY-UHFFFAOYSA-N 306.391 1.534 0 40 DDAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nnn(C)n1 4475571 COPGJTXFCSEONW-UHFFFAOYSA-N 302.121 1.778 0 40 DDAB COc1cccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 4503972 NYCPQLLMXVMECC-SOUVJXGZSA-N 317.389 1.423 0 40 DDAB Cc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)NC1CC1 32776536 KSYCYBOAAVGCGO-GFCCVEGCSA-N 318.373 1.325 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)cc1F 102382533 PKSQKZUCSAMHRL-PHIMTYICSA-N 320.295 1.855 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@@H]1Cc2ccccc2O1 41177367 IQUAGDMWWNWHRH-LBPRGKRZSA-N 301.350 1.101 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@H]2COc3ccccc3O2)no1 46728424 RHIDMFJLWJANHM-ZDUSSCGKSA-N 317.345 1.964 0 40 DDAB Cn1c(S)nc2cc(C(=O)Nc3cccnc3)ccc2c1=O 102873680 CJIMDVLAPRXBDH-UHFFFAOYSA-N 312.354 1.870 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O 101852326 UTODEGPNKYMIQG-GHMZBOCLSA-N 324.377 1.161 0 40 DDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(Cc3nccn3C)C2)C1=O 107195707 MFQBOOGLIRVOPS-APWZRJJASA-N 324.428 1.868 0 40 DDAB Cc1cc(C(=O)NS(C)(=O)=O)c(C)n1Cc1ccccn1 42280662 DDWBHNLRCQMZDV-UHFFFAOYSA-N 307.375 1.238 0 40 DDAB CN1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 47886450 FVKCPOPNWSORBP-OAHLLOKOSA-N 316.449 1.906 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1 12632157 LSQQEXGKJDTWRX-NSHDSACASA-N 319.386 1.481 0 40 DDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(C)cc2)C1 57318705 DWCYJJMOSLRMPM-HOCLYGCPSA-N 318.417 1.998 0 40 DDAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)NC[C@H]1CCOC1 107056398 CKVMXQLHJWMLGM-YPMHNXCESA-N 320.393 1.237 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(N(C)C)nc3)C2)n1 56131509 AUSYISJUWNHGIC-CYBMUJFWSA-N 315.377 1.859 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 56877306 OHVSTHFCXPEIOL-SNVBAGLBSA-N 318.764 1.473 0 40 DDAB CC1CCN(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)CC1 26865448 OTQKYFRCPYTURF-CQSZACIVSA-N 310.419 1.556 0 40 DDAB COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCO1)c1nccn1C 44890347 BNHKDBRGAAABOQ-LSDHHAIUSA-N 315.373 1.813 0 40 DDAB COc1ccc(NC(=O)COCC(=O)O)cc1C(F)(F)F 44894015 LJEXEZLKQZNQQV-UHFFFAOYSA-N 307.224 1.754 0 40 DDAB CC(C)OCCCNC(=O)c1ccc(Cn2cncn2)cc1 44896990 GDUQKGQPXQKLDI-UHFFFAOYSA-N 302.378 1.871 0 40 DDAB COCC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 58228254 DIOPERNADMBRSW-GFCCVEGCSA-N 306.362 1.157 0 40 DDAB COc1ccc(COC[C@H](O)CNC(=O)c2cc(C)no2)cc1 58292435 HFAQHJBRKKIFKV-CYBMUJFWSA-N 320.345 1.299 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)c1 58202970 CNDCOOJEYJEQMX-LLVKDONJSA-N 324.402 1.178 0 40 DDAB C[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)[C@H]1CCCO1 27907744 KNDXKQIHAFMILZ-DGCLKSJQSA-N 316.361 1.748 0 40 DDAB CC(C)=C(NC(=O)c1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)C 2299582 UTCOQVOSDTUVTA-CQSZACIVSA-N 318.373 1.936 0 40 DDAB COc1ccc([C@@H](O)CNCc2c(C)nn(C)c2N(C)C)cc1 58413960 HNLRIQTXFXLSJI-INIZCTEOSA-N 318.421 1.626 0 40 DDAB Cc1ccccc1[C@@H](CC(=O)NCc1cc[nH]n1)NC(N)=O 48252346 FKEAQEOFOYPBHP-CYBMUJFWSA-N 301.350 1.134 0 40 DDAB CC(C)c1nn(C)cc1[C@H]1NC(N)=Nc2nc3ccccc3n21 48367244 NUWZHZHZKZIVHB-AWEZNQCLSA-N 309.377 1.990 0 40 DDAB O=C(C[C@@H]1C=CCC1)NCc1ccc(N2CCOCC2)nc1 10719655 UVAMYXBCFLIPLJ-CQSZACIVSA-N 301.390 1.891 0 40 DDAB Cc1cccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)c1 48302866 FOYCNCJDKZQKQV-GFCCVEGCSA-N 310.419 1.721 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1F 12918798 HDUSIGZELVTCRS-SNVBAGLBSA-N 321.377 1.706 0 40 DDAB CCc1cc2c(=O)n(CC(=O)N3CCCC3=O)cnc2s1 12981104 CTTXWQFEOCZIFM-UHFFFAOYSA-N 305.359 1.169 0 40 DDAB O=C1C(Cl)=C(NC[C@H]2CCCO2)C(=O)N1c1ccccc1 3946910 MTFSFJBVNNSFCP-LLVKDONJSA-N 306.749 1.779 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)CC(=O)Nc2ccncc2)CC1 69658904 YGFDPMRLMRNLBM-CQSZACIVSA-N 320.437 1.045 0 40 DDAB Cn1c(CN2CCN(C[C@H](O)C(C)(C)C)CC2)nnc1C1CC1 69624380 KLHVHEKSOGBWRO-AWEZNQCLSA-N 321.469 1.217 0 40 DDAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc2nncn2c1 65199246 WGUZQPLGFQTYON-UHFFFAOYSA-N 310.285 1.808 0 40 DDAB COC(=O)c1c(CC(=O)N[C@@H](C)C2CC2)[nH]c(C(C)=O)c1C 39985022 IYQJHKXARTVYFB-VIFPVBQESA-N 306.362 1.770 0 40 DDAB CS(=O)(=O)N1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 69814546 JMJDBRXKWNNZTD-UHFFFAOYSA-N 322.390 1.277 0 40 DDAB CN1CCO[C@H](CNC(=O)Cc2ccc(Cl)cc2Cl)C1 65516361 VVKBPIWDORIYNU-GFCCVEGCSA-N 317.216 1.983 0 40 DDAB NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 5397974 IVAXSXOWWWPZAH-UHFFFAOYSA-N 308.135 1.158 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N1CCCCC1 69927239 PNVFELLEYGOPPQ-HOTGVXAUSA-N 307.438 1.474 0 40 DDAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14267586 VUZJEMVIISRNEF-UHFFFAOYSA-N 320.349 1.710 0 40 DDAB Cc1ccc(C(C)C)c(OCC(=O)NCC(=O)NC2CC2)c1 14238578 WGSJMVNSTFSAIJ-UHFFFAOYSA-N 304.390 1.892 0 40 DDAB CCCNC(=O)CN(C)C[C@@H](O)COc1c(C)ccc(C)c1C 14200950 RPKHMZUVLNKDAX-MRXNPFEDSA-N 322.449 1.810 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 66084200 VVHQNLFIZIFYIS-CYBMUJFWSA-N 300.717 1.936 0 40 DDAB COC(=O)Cn1c(=O)c2c3c(sc2n(C(C)C)c1=O)CCC3 6759831 AMKXOPIGUVXLNM-UHFFFAOYSA-N 322.386 1.467 0 40 DDAB COc1cccc(NC(=O)CN(C)C(=O)c2cccn2C)c1 6859704 WYPWUFAXESSRAG-UHFFFAOYSA-N 301.346 1.744 0 40 DDAB CC(C)CCNC(=O)CSc1nnnn1-c1ccc(O)cc1 6906708 BGORMTLVGFIBMP-UHFFFAOYSA-N 321.406 1.622 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 7471507 XHCTYUGHLPSBSD-KRWDZBQOSA-N 315.373 1.332 0 40 DDAB CCN(CC(=O)NC(C)C)CC(=O)N1CCc2ccccc21 7682216 JDTNEGBZZYOZRD-UHFFFAOYSA-N 303.406 1.422 0 40 DDAB CC(=O)Nc1cccc([C@@H](C)NC[C@@H]2CN3CCN2CC3)c1 90647413 CEMIZWALUMOYFZ-CXAGYDPISA-N 302.422 1.295 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c(C)c1 71184882 CKFWLDNGVBPLAA-UHFFFAOYSA-N 324.384 1.692 0 40 DDAB O=C(NC[C@]1(O)CCSC1)c1nc(Cl)ccc1Cl 82967785 NUBJQVNYNWYZLL-LLVKDONJSA-N 307.202 1.986 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NCc1nc(-c2ccccc2)no1 71283550 VIHIPJVDHQSAHX-RYUDHWBXSA-N 315.329 1.710 0 40 DDAB COc1ccc2nnc(CCC(=O)Nc3cc(C)ccn3)n2n1 71288140 ONTPSEBQVCOAQG-UHFFFAOYSA-N 312.333 1.408 0 40 DDAB CCO[C@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 70021103 QRQHIGUWQOURGH-ZBFHGGJFSA-N 306.406 1.289 0 40 DDAB O=C1N(CC2CC2)[C@]2(NC13CCCC3)C(=O)Nc1ccccc12 89857850 KVSRNPDPRBHGBS-SFHVURJKSA-N 311.385 1.946 0 40 DDAB O=C(COC[C@@H]1CCCO1)N[C@H]1CCOc2ccc(F)cc21 71890864 AGRURCLPSOMATJ-JSGCOSHPSA-N 309.337 1.961 0 40 DDAB CC(C)(C)CN(CC(F)(F)F)C(=O)CN1CSCC1=O 71804232 JYBSWTOBXZEZNO-UHFFFAOYSA-N 312.357 1.956 0 40 DDAB O=C1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CCN1 71839471 LUNQOSSRJZBXBD-HOCLYGCPSA-N 302.374 1.503 0 40 DDAB Cc1cc(NC(=O)CCN2CCCC[C@@H]2Cn2cncn2)no1 71876194 BCXPUBKBNUVPNK-CYBMUJFWSA-N 318.381 1.458 0 40 DDAB CCNC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 71858794 YTUXMPWLZBRWLI-LBPRGKRZSA-N 311.407 1.159 0 40 DDAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)cn1 97012804 OFMCKOGXKLTWRO-NSHDSACASA-N 313.404 1.244 0 40 DDAB CCn1cnnc1CNC(=O)N[C@](C)(CC)c1nccs1 89942123 TVBZPAWFCGORHW-CYBMUJFWSA-N 308.411 1.879 0 40 DDAB COc1cccc(CNc2cc(N3CCC[C@H]3CO)ncn2)n1 72276228 RWYGFGPYLPAQJR-ZDUSSCGKSA-N 315.377 1.453 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)c3ccsc3)CCO2)n1 72299545 APXUMQGYHIKYIF-SKDRFNHKSA-N 306.391 1.878 0 40 DDAB CSc1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1 97139958 WBVRAKUQTWHPMB-UHFFFAOYSA-N 309.435 1.803 0 40 DDAB Cc1noc(C)c1CCC(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76053562 OBJAOSQJSSWUPS-LRDDRELGSA-N 321.421 1.403 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)C12CCC2 76066587 VAHOWJAVQUOZLH-RYUDHWBXSA-N 319.409 1.371 0 40 DDAB CC[C@H](C)n1cnc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)O)c1 95442394 CJPZRKVWGHZVKR-YNEHKIRRSA-N 315.439 1.778 0 40 DDAB CNS(=O)(=O)CCC(=O)N[C@@H](C)Cc1ccc(C)s1 95453198 ONIKRXURBMDKAU-VIFPVBQESA-N 304.437 1.043 0 40 DDAB CC[C@@H]1C(=O)NCCN1CCc1nc(-c2ccccc2)no1 77318351 QFBSQESCANDEKY-CYBMUJFWSA-N 300.362 1.490 0 40 DDAB C[C@@H](NC(=O)N(C)Cc1ncnn1C)c1ccc(F)c(F)c1 73415035 QHFHUKKXRCXKSU-SECBINFHSA-N 309.320 1.996 0 40 DDAB CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1nc(O)[nH]c(=O)c1N 73793576 PUOINAYRWKQLOK-ZJUUUORDSA-N 308.382 1.345 0 40 DDAB Cn1cc(CNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)cn1 95988875 OHWKUZYJZNMRJD-INIZCTEOSA-N 314.389 1.573 0 40 DDAB CCC[C@H](N)CNS(=O)(=O)c1cc(C(C)=O)ccc1Cl 95972671 LNEVVGFTTCODSK-NSHDSACASA-N 318.826 1.948 0 40 DDAB O=c1[nH]ncc(N2CCC(c3n[nH]c(C4CC4)n3)CC2)c1Cl 95957286 SMIBUVFWWMZWPB-UHFFFAOYSA-N 320.784 1.803 0 40 DDAB Cc1noc(CN2CCC(C(=O)Nc3ncccn3)CC2)n1 95952962 SSUMKUHJDYOPNS-UHFFFAOYSA-N 302.338 1.019 0 40 DDAB CCO[C@@H](C)c1noc(Cn2cnc3ccccc3c2=O)n1 78825128 OGOGILBKIGBGGA-JTQLQIEISA-N 300.318 1.925 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c(C)o1 78901392 FFVRGKQZQSWKJZ-LLVKDONJSA-N 316.361 1.738 0 40 DDAB Cc1ccccc1CS(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 74862790 RECRHEZPDPWUPB-CQSZACIVSA-N 324.446 1.814 0 40 DDAB COc1coc(CN2CCCC[C@@H]2C(=O)NC(C)(C)C)cc1=O 75109808 BMHPXXRDFZIYBD-CYBMUJFWSA-N 322.405 1.918 0 40 DDAB Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(=O)[nH]1 75125649 ROYSDPDANJLROC-UHFFFAOYSA-N 313.401 1.887 0 40 DDAB NC(=O)C[C@H](NC(=O)Nc1ccc(F)cc1)C1CCOCC1 75110593 QZDHARLGASXHRC-ZDUSSCGKSA-N 309.341 1.618 0 40 DDAB CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnn2)cc1 89772316 USXXYXPDNUYIQH-GJZGRUSLSA-N 300.362 1.955 0 40 DDAB CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(C)ccc21 408713192 NNQSSUJHFGERAU-UHFFFAOYSA-N 300.358 1.802 0 40 DDAB CCc1ccc([C@H](COC)NS(=O)(=O)c2cscn2)o1 521396200 HYACRXPIRPNNFA-JTQLQIEISA-N 316.404 1.965 0 40 DDAB O=C1COc2ccc(Cl)cc2N1[C@H]1CCS(=O)(=O)C1 217341940 VZGKKWXCHSKCFM-VIFPVBQESA-N 301.751 1.253 0 40 DDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1ccncc1 79473776 DOSRHCSLCQHXHX-UHFFFAOYSA-N 324.340 1.257 0 40 DDAB Cc1nc([C@H]2CCN2C(=O)c2cnccn2)cc(N2CCCC2)n1 72387542 NLOPPBWREMYTGO-OAHLLOKOSA-N 324.388 1.762 0 40 DDAB C[C@@H]1C[C@@H](c2ccccc2F)N(CCN2C(=O)CNC2=O)C1 75900695 RVTYUYUWMDHXRW-RISCZKNCSA-N 305.353 1.760 0 40 DDAB Cn1nc(N2CCC[C@H](C(=O)Nc3nccs3)C2)ccc1=O 75166423 QDSOHVNXTPSTNK-JTQLQIEISA-N 319.390 1.092 0 40 DDAB O=C(NCc1ccc(F)cc1)[C@H]1CCN(c2ncccn2)C1 72366466 BXYSLGQHAKGMBJ-ZDUSSCGKSA-N 300.337 1.758 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCCCC2=O)cc1 227115582 QPUDPCVQBWZNFK-GFCCVEGCSA-N 317.389 1.776 0 40 DDAB C[C@H](c1ccccn1)N1CCN(c2ncnc(N)c2Cl)CC1 225485783 RFYPXFAREMWSBX-LLVKDONJSA-N 318.812 1.990 0 40 DDAB CCOc1ccc(CNS(=O)(=O)C2COC2)cc1Cl 328888902 QLNFFRVAFAJOEP-UHFFFAOYSA-N 305.783 1.557 0 40 DDAB CC(C)c1nc(C2(NC(=O)c3cncnc3N)CCCC2)no1 194204342 PUZFPAVDFPFBIN-UHFFFAOYSA-N 316.365 1.765 0 40 DDAB CC(C)[C@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCO1 333816466 IARLFMMWENCXBL-SWLSCSKDSA-N 306.410 1.724 0 40 DDAB CCOCCNS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 96421221 DQCJKTQCRSESEK-UHFFFAOYSA-N 309.391 1.496 0 40 DDAB CCOC(=O)C[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 96526948 YVJIKJYHNGOYFM-LLVKDONJSA-N 313.375 1.557 0 40 DDAB C[C@H]1C[C@H](Nc2nccn3cnnc23)C(=O)N1c1ccccc1 95404368 GXWHJDXTVSUXNJ-AAEUAGOBSA-N 308.345 1.730 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1CCCN(C)C1 95437673 GHCJXAGBOJNELB-ZDUSSCGKSA-N 321.469 1.686 0 40 DDAB Cc1ccc(CNC2CCN(CC(=O)N3CCCC3)CC2)nc1 95416647 XNJUTLZYWPLROZ-UHFFFAOYSA-N 316.449 1.566 0 40 DDAB O=C1NC2(CCN(C(=O)NC3CC3)CC2)C[C@@H]1c1ccccc1 96069547 VWZGGWBKBSNXOV-OAHLLOKOSA-N 313.401 1.997 0 40 DDAB Cc1cccc(CN2C[C@@H]3CN(Cc4nccn4C)C[C@@H]3C2=O)c1 96245285 XBYDYDSMCFKCCQ-IRXDYDNUSA-N 324.428 1.819 0 40 DDAB CCS(=O)(=O)N1CCn2cc(CNc3ccccn3)nc2C1 96068065 IKZPVOPRGWRBHA-UHFFFAOYSA-N 321.406 1.056 0 40 DDAB CCOC(=O)[C@@H]1CN(C(=O)c2ccco2)Cc2ncn(CC)c21 96059375 LCRLTSKRROPYBI-LLVKDONJSA-N 317.345 1.799 0 40 DDAB CCc1nnc(CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)o1 96409781 LJTXFBCEJLVGCQ-OAHLLOKOSA-N 318.333 1.809 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(C)c(F)c2)n1 96413582 PIAUPAINPFPHEH-UHFFFAOYSA-N 320.324 1.513 0 40 DDAB CCC(=CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)CC 236923980 SZPWECWXDOHADE-HZPDHXFCSA-N 321.465 1.840 0 40 DDAB Cc1ccc(CN2C[C@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)s1 96246338 JIOVEBMCMNENRA-HUUCEWRRSA-N 306.431 1.878 0 40 DDAB COCCNC(=O)C[C@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2O1 96206752 METCEDJOIUKIFL-NWANDNLSSA-N 308.378 1.022 0 40 DDAB COc1ccc(-n2nnnc2SCCn2ccnc2C)cc1 96485825 SSPJBSZXQBPCPI-UHFFFAOYSA-N 316.390 1.968 0 40 DDAB c1ccc(OC[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)nc1 96219347 JZENUXBNEDFNPV-PBHICJAKSA-N 312.373 1.936 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)CCc1ccccc1 97375769 GACLDYAMRBHNQM-CABCVRRESA-N 302.374 1.797 0 40 DDAB Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccccc3)C2)cn1 96406829 HHDGWDMEXYOUSM-HNNXBMFYSA-N 313.405 1.888 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257243842 IITZDMFFAOJRHV-GJZGRUSLSA-N 311.403 1.300 0 40 DDAB O=C(Nc1c(F)cccc1F)C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 252497820 QRHWJFFEWKVIBD-XHSYRHOGSA-N 324.327 1.427 0 40 DDAB CN1C[C@@H]2CN(C(=O)CCc3ccccc3)CCN2C(C)(C)C1 253400068 KLLMDHAWJKNLEZ-QGZVFWFLSA-N 315.461 1.856 0 40 DDAB biogenic,in-vitro C[C@@H]1Oc2cc(S(=O)(=O)NCc3ccco3)ccc2NC1=O 252488021 IHKAPILXDZNHPL-VIFPVBQESA-N 322.342 1.478 0 40 DDAB Cc1ccc(CC(=O)N2CC[C@@](O)(CN3CCCC3)C2)s1 257233674 GQETZVRNSMCPIR-MRXNPFEDSA-N 308.447 1.658 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC(=O)NC1=O 89755962 RLAVVIQTSYDKLO-LDYMZIIASA-N 310.737 1.029 0 40 DDAB O=C(c1cccnc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104321 BHRKUGSUIQSGBW-UHFFFAOYSA-N 308.403 1.654 0 40 DDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CC(=O)N(C)C)C1 585095221 KVFKAMQFDJPOEN-CQSZACIVSA-N 306.410 1.681 0 40 DDAB C[C@@H](CNc1cc(C(N)=O)c2ccccc2n1)N1CCOCC1 44915647 NKKQOBMZLOMBKS-LBPRGKRZSA-N 314.389 1.466 0 40 DDAB CCONC(=O)c1sccc1S(=O)(=O)N1CCCC1 45894558 QJZHKXSRNHENFK-UHFFFAOYSA-N 304.393 1.214 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)C1 46938549 WYQWWDWNZZDUKE-UONOGXRCSA-N 301.390 1.623 0 40 DDAB CC1CCC(N(C)C(=O)CS(=O)(=O)c2nccs2)CC1 49103339 RCWIMBKKRIUMPE-UHFFFAOYSA-N 316.448 1.954 0 40 DDAB COc1ccc([C@@H](O)CNC[C@@H]2CNc3ccnn3C2)cc1 58327833 GRGFADYYVMVAOR-DOMZBBRYSA-N 302.378 1.257 0 40 DDAB CCOC(=O)c1cnn(C)c1NC(=O)CN1CCCC[C@H]1C 65491076 CNGLMGAWJDNFBC-LLVKDONJSA-N 308.382 1.410 0 40 DDAB Brc1cnc(N2CCN(c3ccncc3)CC2)nc1 67347744 UTBULSXPQWNQBG-UHFFFAOYSA-N 320.194 1.961 0 40 DDAB O=C(NCCc1cccs1)N[C@@H]1CCCS(=O)(=O)C1 95963184 UFRXWJVFVXLCEL-SNVBAGLBSA-N 302.421 1.167 0 40 DDAB N[C@@H]1C[C@H](C(=O)NCCc2ccnn2-c2ccccc2)[C@H]2C[C@H]21 1580401484 FZBWMVMNOVEOMJ-VVLHAWIVSA-N 310.401 1.514 0 40 DDAB Cc1noc(C)c1C(=O)NCC1(O)CSCCSC1 1888844560 HUKIARXVBJRXTO-UHFFFAOYSA-N 302.421 1.232 0 40 DDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 8105268 RHIDHAHNPUIHJU-YFHOEESVSA-N 310.331 1.079 0 40 DDAB CS(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2cccc(F)c2)C1 19572212 FAESYMQFHBMSGH-NILFDRSVSA-N 313.394 1.705 0 40 DDAB COC(=O)[C@H](Cc1cn(C(C)C)nn1)NC(=O)OC(C)(C)C 202420876 XLKIMLXBDGJECK-NSHDSACASA-N 312.370 1.468 0 40 DDAB Cn1nccc1C(=O)N1CC[C@@H](COc2ccc(F)cn2)C1 1889128320 QPCBACZOVULXPL-LLVKDONJSA-N 304.325 1.495 0 40 DDAB CCOc1ccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)cc1 23387110 RERYVNGTAMEQBU-CQSZACIVSA-N 322.405 1.022 0 40 DDAB CC(C)N1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O 32301025 TZPAPDUIYDKJFD-LBPRGKRZSA-N 322.434 1.049 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 907581495 IMSVSNPDXRIFIO-AOOOYVTPSA-N 302.371 1.803 0 40 DDAB O=C(NCCc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 5251008 NTNRZGLABSODCN-UHFFFAOYSA-N 316.313 1.348 0 40 DDAB O=C(NCCCn1ncccc1=O)c1cc(-c2ccccc2)on1 38517307 FEYKHZKBLKVFRC-UHFFFAOYSA-N 324.340 1.718 0 40 DDAB COc1cc(N2CCC[C@@H](COc3cnccn3)C2)ncn1 2298188654 XEJKBXSBZPNFGH-GFCCVEGCSA-N 301.350 1.571 0 40 DDAB COc1cccc(CCC(=O)N[C@H]2CCSC2=O)c1OC 20274592 IRNLFNCZWXAIJM-NSHDSACASA-N 309.387 1.785 0 40 DDAB CCc1noc(CN2CCN(C(=O)c3ccccc3F)CC2)n1 40494081 APJMFTGDEAKHAJ-UHFFFAOYSA-N 318.352 1.729 0 40 DDAB CCCn1nc(C(=O)NC[C@@H](C(C)C)N2CCCC2)ccc1=O 40522803 WZVVYNFQFBDIGW-HNNXBMFYSA-N 320.437 1.504 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)N[C@H](CO)c1ccccc1 89826375 NHCWZOCALWACEF-OAHLLOKOSA-N 309.362 1.979 0 40 DDAB COC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 150470 HYWCPXNSJSJZKQ-SFYZADRCSA-N 307.375 1.712 0 40 DDAB COc1ccc(OCCCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 7777180 ZRPBXAJGYZVDJZ-ZDUSSCGKSA-N 320.389 1.578 0 40 DDAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@@H](O)[C@@H]1NC(C)=O 4531031 UEPLFYOSRDQVTQ-LMMHAMTPSA-N 319.401 1.807 0 40 DDAB Cc1c(C(=O)NCc2nnc3n2CCC3)[nH]c2c1C(=O)CCC2 32889102 XGFALCCELOQRNO-UHFFFAOYSA-N 313.361 1.310 0 40 DDAB NC(=O)[C@H](NC(=O)COc1cccc(F)c1)c1ccccc1 12050959 IDEZSMRVSMYMTA-OAHLLOKOSA-N 302.305 1.547 0 40 DDAB COc1ccccc1CNC(=O)CCNC(=O)c1ccncc1 32915751 QTAOLGMUVQWITF-UHFFFAOYSA-N 313.357 1.527 0 40 DDAB CS(=O)(=O)Nc1cccc(C(=O)NCCc2ccccn2)c1 21775353 CJDYYOIFCJPLIM-UHFFFAOYSA-N 319.386 1.426 0 40 DDAB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21873338 ZBMFBDNESGYWRD-GFCCVEGCSA-N 318.373 1.583 0 40 DDAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(c2ccccc2F)C1 21901792 WPYIUAABIPQAHI-JTQLQIEISA-N 315.304 1.918 0 40 DDAB C[C@@H]1CCN(C)c2ccccc2N1C[C@H](O)Cn1cccn1 89930040 VQHDHOJVJBQVTR-HUUCEWRRSA-N 300.406 1.979 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCCOc2cccc(F)c2)CC1=O 27720656 ZENXASPKDMEOST-LBPRGKRZSA-N 308.353 1.578 0 40 DDAB OCCN1CCN(Cc2ccc(F)cc2Br)CC1 42229633 LVKMBTDRZWKZHU-UHFFFAOYSA-N 317.202 1.698 0 40 DDAB O=C(COc1ccc(Cl)cc1)NC[C@H]1CN2CCC[C@H]2CO1 106166497 IQYPQWLEKPDZFL-ZFWWWQNUSA-N 324.808 1.698 0 40 DDAB Cc1ccc(-c2noc(CN(C)CC(=O)N(C)C)n2)cc1F 55371809 RUEZHHLWJBZYJY-UHFFFAOYSA-N 306.341 1.704 0 40 DDAB CC1(C)NC(=O)N(CCSCc2nc(C3CC3)no2)C1=O 56242060 MAJGBYNFVLDHSA-UHFFFAOYSA-N 310.379 1.511 0 40 DDAB CC[C@H]1CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCO1 26130329 FHPIHDBJKALIPS-AWEZNQCLSA-N 319.405 1.544 0 40 DDAB Cc1nn(Cn2ccc(C(=O)N3CCOCC3)n2)c(C)c1Cl 28575364 SGCHOKAEBVORLC-UHFFFAOYSA-N 323.784 1.328 0 40 DDAB CC[C@H]1CCCN(C(=O)CCn2cnc3c(cnn3C)c2=O)C1 27153424 XESBHSSIYPYDOI-LBPRGKRZSA-N 317.393 1.169 0 40 DDAB O=C(NCCNc1ncccn1)NCCc1c(F)cccc1F 58141857 NFSWHYCIZUTTFH-UHFFFAOYSA-N 321.331 1.709 0 40 DDAB CC1(C)COCCN1C(=O)CCN1C(=O)COc2ccccc21 58210562 VTAQPCDKVNTAGQ-UHFFFAOYSA-N 318.373 1.440 0 40 DDAB CCOC(=O)C1=C(CNC(C)(C)C)NC(=O)N[C@H]1c1ccco1 23697549 FZALNMOHTYZWNO-ZDUSSCGKSA-N 321.377 1.839 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1cccnc1 58428872 QESMRODKFMKECY-CYBMUJFWSA-N 315.421 1.811 0 40 DDAB COc1c(CNCc2nnc3n2CCCCC3)c(C)nn1C 58407331 DVLQRUQXWFNVQF-UHFFFAOYSA-N 304.398 1.345 0 40 DDAB Cc1ccc2nc(Cn3cnc4ccccc4c3=O)cc(=O)n2c1 10500309 GQMBOBHBAFLXEN-UHFFFAOYSA-N 318.336 1.761 0 40 DDAB C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1 10670727 HXHCRUJALBUEFB-GFCCVEGCSA-N 324.402 1.087 0 40 DDAB COc1cccc(CN(C)C(=O)CNC(=O)C2CCCC2)c1 48191309 XGCWUUWVNMIWOU-UHFFFAOYSA-N 304.390 1.960 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)C2CC2)CC1 48331988 GIWUGZMFCYXZDR-CQSZACIVSA-N 324.421 1.339 0 40 DDAB C[C@@H](C(=O)N(C)C1CCCCC1)N1CCO[C@H](CN(C)C)C1 69808331 RFGWEWVNQIYBPL-GOEBONIOSA-N 311.470 1.428 0 40 DDAB Cc1ccc(-c2nc(CN3CCn4c(C)nnc4C3)no2)cc1 69483803 MSLWWBVKKWLOKT-UHFFFAOYSA-N 310.361 1.961 0 40 DDAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc2c(c1)n(C)c(=O)n2C 49545563 YEKAJNIWDOVMMD-JTQLQIEISA-N 311.345 1.734 0 40 DDAB CN1[C@@H](Cc2ccccc2O)[C@@H](O)c2ccccc2S1(=O)=O 13681707 JTNFSXJUIOVEDA-BBRMVZONSA-N 319.382 1.671 0 40 DDAB O=C1CCNC(S/C(=C/c2ccc(C(=O)O)cc2)C(=O)O)=N1 6191794 AXTOQLSNUUUEPA-JXMROGBWSA-N 320.326 1.419 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ncnc2c1CCC2 69589526 YBYFGDUHRKBBGT-JKSUJKDBSA-N 300.406 1.945 0 40 DDAB O=S(=O)(NCCCn1cccn1)c1cc(F)ccc1F 14238092 XNDWFRNPPRGVCZ-UHFFFAOYSA-N 301.318 1.530 0 40 DDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCC(C)CC3)nc2c1 6503572 BWJKHRGGENBONK-UHFFFAOYSA-N 315.373 1.942 0 40 DDAB O=C(CCNc1ncccn1)N1CCC[C@@H](n2ccnc2)C1 69656662 MAQDVNMSEISNDR-CYBMUJFWSA-N 300.366 1.339 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC(n2cccn2)C1 69632791 QVRNAHFNXVRXBY-AWEZNQCLSA-N 310.401 1.713 0 40 DDAB CC1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1 6671887 BWBQHHVBQSUTMJ-UHFFFAOYSA-N 300.362 1.486 0 40 DDAB O=C(CCc1ccccc1O)N1CCN(c2ncccn2)CC1 6607312 LXIRRDPXZJVPCU-UHFFFAOYSA-N 312.373 1.464 0 40 DDAB CCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]c1=O 6888286 XMKKRMBJHFKOEQ-GHMZBOCLSA-N 312.439 1.768 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(O)c1 15545347 DKACSAXXOLOJSD-GFCCVEGCSA-N 308.359 1.367 0 40 DDAB Cn1cc(CNCC(C)(C)S(C)(=O)=O)c(-c2ccccc2)n1 93079259 MBQXXHKVAWMOHU-UHFFFAOYSA-N 321.446 2.000 0 40 DDAB Cc1ncsc1CCN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O 84065686 BCYPAJQYQCQMBY-OAHLLOKOSA-N 322.434 1.399 0 40 DDAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1 71824482 NWQIIYNHVLWHHH-CZUORRHYSA-N 311.385 1.508 0 40 DDAB CCS(=O)(=O)NCCCNC(=O)N(C)CC1CCCCC1 71803255 VAOVOXYSNTZLOX-UHFFFAOYSA-N 319.471 1.538 0 40 DDAB Cc1ncc(CN2CCO[C@H](CNc3cccnn3)C2)s1 84290620 RSYDHNAAWAVYKE-GFCCVEGCSA-N 305.407 1.554 0 40 DDAB Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)NC[C@H]2C1 97161889 PCGSVRUVPDFQJL-JTQLQIEISA-N 308.769 1.890 0 40 DDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncnn1C 97142566 RINRCZFPXYIKFR-JSGCOSHPSA-N 314.393 1.457 0 40 DDAB CC1([C@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)OCCO1 97108679 KGSWKFJJYFXKMB-LBPRGKRZSA-N 310.419 1.822 0 40 DDAB CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 76017353 JSFIIZFDUKPYRA-TZMCWYRMSA-N 307.394 1.389 0 40 DDAB COc1ccc(C)nc1NC(=O)N[C@H]1CCc2[nH]ncc2C1 97378609 HIGJFSMNKXHJPH-NSHDSACASA-N 301.350 1.801 0 40 DDAB O=C(Nc1ccccc1CN1CCSCC1)[C@H]1COCCO1 84504727 VMQMJCCALYHJDR-OAHLLOKOSA-N 322.430 1.589 0 40 DDAB NC(=O)c1cccc(CNc2ncc(C(N)=O)cc2Cl)c1 77303274 WPZQXXLFTANSOZ-UHFFFAOYSA-N 304.737 1.545 0 40 DDAB Cc1ccc(OCC(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1 95468244 FPICHVCBTHYXOW-AWEZNQCLSA-N 317.345 1.665 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)Nc1cnn(C)c1)C2 77492137 YTRPCDHVJNAQFK-LLVKDONJSA-N 302.334 1.554 0 40 DDAB NC(=O)c1c[nH]c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 95429519 ZIRSLSHNGAAOQZ-ZDUSSCGKSA-N 317.345 1.528 0 40 DDAB COCCN(CCNC(=O)C1=COCC1)C(=O)OC(C)(C)C 95453551 VOBDXJABOZUGCK-UHFFFAOYSA-N 314.382 1.290 0 40 DDAB C[C@@H](CNC(=O)N(C)[C@H](C)c1cccnc1)N1CCOC[C@@H]1C 110588207 KBCRAKQMYGMZRS-SOUVJXGZSA-N 320.437 1.893 0 40 DDAB C[C@H]1CCc2sc(C(=O)N3CCOC[C@H]3C(=O)O)cc2C1 88373656 UBOATGWKARPJEY-ONGXEEELSA-N 309.387 1.799 0 40 DDAB CN(C)c1ncc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cn1 95973243 SSESTNOMFGEODG-LLVKDONJSA-N 301.354 1.465 0 40 DDAB COCCN1CCC(CNc2ccnc(C(=O)OC)c2)CC1 89414509 XKMHSCRGFOVEJY-UHFFFAOYSA-N 307.394 1.639 0 40 DDAB Cc1cc(N2CCCC[C@@H]2CN2CCOCC2)n2ncnc2n1 89598839 PXHKHUYXJVXQIL-CQSZACIVSA-N 316.409 1.124 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(=O)[nH]1 75118464 HIDQPCLCCMOWPY-ZDUSSCGKSA-N 305.403 1.778 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(c3ncnc4[nH]ccc34)CCO2)n1 75128667 YOIQBTAVRIACAV-GFCCVEGCSA-N 313.365 1.072 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306135235 OLKPVGUADBILIS-AGIUHOORSA-N 320.364 1.873 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCN(C)C2=O)s1 152492623 FWGKWADHOZMTQA-SSDOTTSWSA-N 304.318 1.618 0 40 DDAB COCCN1CC[C@@]2(CNC[C@@H]2c2cn(C(C)C)cn2)C1=O 306138331 RUZRURCTXWTVMB-CJNGLKHVSA-N 306.410 1.016 0 40 DDAB COc1cc(CC(=O)Nc2c[nH]nc2[C@H]2CCNC2)ccc1C 1549746470 PVSJKLFHQZHQKF-ZDUSSCGKSA-N 314.389 1.985 0 40 DDAB CNc1cncc(C2CCN(C(=O)c3coc(C)n3)CC2)n1 72364594 FNRWQSARKWYAIT-UHFFFAOYSA-N 301.350 1.835 0 40 DDAB Cc1csc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)n1 72239008 KNFXIVFGGHKZKV-UHFFFAOYSA-N 321.387 1.833 0 40 DDAB CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)c1ncc[nH]1 78818961 SKHXRLAVRUYFAN-CYBMUJFWSA-N 321.402 1.793 0 40 DDAB Cn1cnnc1SCCNC(=O)c1cc(-c2ccco2)[nH]n1 38488931 LHRHDBDSPZLPDZ-UHFFFAOYSA-N 318.362 1.320 0 40 DDAB O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)c1cc(Cl)ccc1Cl 85468787 RWVHXGVXFCVOIG-JWKOBGCHSA-N 304.173 1.855 0 40 DDAB Cc1cccnc1Sc1nnc(NS(C)(=O)=O)s1 41107536 IXUYGJWQEWUYAJ-UHFFFAOYSA-N 302.406 1.764 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 40478397 KOELDUYCTVCFBT-UHFFFAOYSA-N 316.336 1.553 0 40 DDAB c1coc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)c1 96063427 RTOFSRAQNJELBS-HZPDHXFCSA-N 318.377 1.321 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)c1ccc(C)nc1)CC2 96207614 OGVBFBNSZDGQTR-CQSZACIVSA-N 317.389 1.005 0 40 DDAB CC(C)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 96038892 IJSPDESFNIAIRE-ARFHVFGLSA-N 303.406 1.443 0 40 DDAB O=C(Nc1cccnc1Cl)N1CC[C@H](CN2CCOCC2)C1 96441330 FHLBSOBBSDOTPV-GFCCVEGCSA-N 324.812 1.921 0 40 DDAB NC(=O)NCCCOC(=O)c1ccc(F)c(Br)c1 96442259 CXFQUVBVBPRLDA-UHFFFAOYSA-N 319.130 1.803 0 40 DDAB O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cnc[nH]1 96451674 ZAFXFDDUNDCUAX-UHFFFAOYSA-N 304.316 1.804 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CCO1 96439533 NGBPAQOLIORNBA-ZNMIVQPWSA-N 308.353 1.738 0 40 DDAB Cn1ncnc1CNC(=O)NCCSc1ccccc1F 96440235 OHSHEFRUECOELM-UHFFFAOYSA-N 309.370 1.546 0 40 DDAB COCCn1cc2c(n1)[C@@H](COCc1c(C)noc1C)OCC2 96044226 WUEWFNGYPGAMOY-OAHLLOKOSA-N 321.377 1.965 0 40 DDAB COc1ccc(C(=O)Cn2cnnc2[S@](C)=O)cc1Cl 96447756 UMIFCRHBRIOAAE-HXUWFJFHSA-N 313.766 1.560 0 40 DDAB Cn1c2c(ccc1=O)CCN(C(=O)NCc1cccnc1)CC2 96196636 GDMFXSUOUMKFON-UHFFFAOYSA-N 312.373 1.091 0 40 DDAB Cc1cc(C)nc(NCCCC(=O)NCC2CCOCC2)n1 95480876 JEAMWIAHVUFONQ-UHFFFAOYSA-N 306.410 1.828 0 40 DDAB COC(=O)[C@@H](C)CNC(=O)c1cc(C)ccc1-n1ccnc1 96444687 RFRRKLWBRKNJIC-LBPRGKRZSA-N 301.346 1.720 0 40 DDAB O=C1[C@H]2CN(c3cnccn3)C[C@@H]2CCN1Cc1ccncc1 96249101 HTSHDNVAJLSBIN-GJZGRUSLSA-N 309.373 1.357 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 96484060 YRUKHSXXKWLSDG-BNOWGMLFSA-N 304.394 1.783 0 40 DDAB Cc1cc(NC(=O)N[C@@]2(C)CCOC2)n(Cc2ccccn2)n1 95440668 BGYKRLZOAAMCDK-INIZCTEOSA-N 315.377 1.935 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccc(F)cc1 96181722 JMRRDEVETNQWFM-JKSUJKDBSA-N 320.364 1.783 0 40 DDAB CCCC[C@@H](C(N)=O)N1CCN(c2ccncc2Cl)CC1 96487497 UMKSJFBHFNFQKX-AWEZNQCLSA-N 310.829 1.901 0 40 DDAB O=C([C@H]1CCCO1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 247803876 HMIGUAUAIDGJIC-GOEBONIOSA-N 319.405 1.447 0 40 DDAB CCOc1cc(C(=O)NCCc2ccccc2OC)ncn1 245026561 NAHHFDVWOGPJIF-UHFFFAOYSA-N 301.346 1.856 0 40 DDAB Nc1cnc(C[C@@H]2CCCN(C(=O)C3CCOCC3)CC2)cn1 257207035 BGBPQKZKSONPBB-CYBMUJFWSA-N 318.421 1.657 0 40 DDAB Nc1cnc(C[C@H]2CCCN(C(=O)C3CCOCC3)CC2)cn1 257207036 BGBPQKZKSONPBB-ZDUSSCGKSA-N 318.421 1.657 0 40 DDAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2ccn3nccc3n2)c1 257299178 RPAJRXHAWHEULA-HNNXBMFYSA-N 324.388 1.988 0 40 DDAB CCN1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](OC)c1ccccc1 252484475 FXKLQVKSJQORAM-IXDOHACOSA-N 318.417 1.696 0 40 DDAB O=C(c1ccno1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257236366 HBUQVIHOPWNYBR-NSHDSACASA-N 313.317 1.790 0 40 DDAB O=C(NCCc1nccs1)[C@@H]1COCCN1CC(F)(F)F 252507559 WOMXGEMTNZYQMR-VIFPVBQESA-N 323.340 1.065 0 40 DDAB NC(=O)CNc1ccc(Cc2ccc(NCC(N)=O)cc2)cc1 255186976 AKFYYXVTERAVFV-UHFFFAOYSA-N 312.373 1.072 0 40 DDAB Cc1cnc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)cn1 257208662 BNBSFKQWCZIUCD-CQSZACIVSA-N 311.389 1.921 0 40 DDAB CC(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2COCCN2)cc1 261969619 CQWVWHNRUZDOQB-HOTGVXAUSA-N 305.422 1.305 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1cccnc1)c1cccc(F)c1 96388627 KGWKHCGOGMZUJM-AWEZNQCLSA-N 317.320 1.663 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCC2)C1 575404981 QMQPTPPXAARSDC-MRVWCRGKSA-N 302.378 1.045 0 40 DDAB CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585282830 IHSZDPQZPMWFMY-INIZCTEOSA-N 324.352 1.088 0 40 DDAB O=C(NCC[C@@H]1CN(CC2CC2)Cc2ccnn21)N1CCCC1 585112483 RTNCPHBHFUHVCW-OAHLLOKOSA-N 317.437 1.845 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2ccncc2)c1 44970145 JDUUFSJQUXVYIY-UHFFFAOYSA-N 320.374 1.311 0 40 DDAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 51373599 KJNDSUIEGOSOSX-PBHICJAKSA-N 320.389 1.675 0 40 DDAB O=C(c1cnsn1)N1CCC[C@@H]1c1nnc2n1CCCCC2 53028729 JIMLESRWKZJZSH-LLVKDONJSA-N 318.406 1.833 0 40 DDAB C[C@@H]1CCCN(C(=O)CCNC(=O)c2cccnc2S)C1 58344276 NRHNPLVUEKQMMN-LLVKDONJSA-N 307.419 1.749 0 40 DDAB CC1CCN(C[C@H](O)CN2CCC[C@@H]2Cn2cccn2)CC1 69631980 KFHDYWIXQGXDGE-SJORKVTESA-N 306.454 1.440 0 40 DDAB O=C([C@@H]1CC=CCC1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122073 RTZQMPFVXJUIMZ-GFCCVEGCSA-N 309.387 1.762 0 40 DDAB CSc1ncc(Br)c(=NC[C@H]2CCCO2)[nH]1 1889077164 IPBCOHJSYPMRHT-SSDOTTSWSA-N 304.213 1.974 0 40 DDAB O=S1(=O)CC[C@@H](NCc2ccc(Br)cc2)C1 16769923 DTXMONMUGZGOEC-LLVKDONJSA-N 304.209 1.726 0 40 DDAB C/C=C/C(C)=C/[C@H](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1 17060056 ATUBIBZJAGAIBW-HTXKVWFQSA-N 307.390 1.908 0 40 DDAB in-vitro Cc1cccc(N2CCN(c3cc(-n4cncn4)ncn3)CC2)c1 1888899342 YAJIJCDCHMREKB-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB CC[C@@H](NS(=O)(=O)c1cccc2cc(C)cnc12)C(=O)O 35186299 RRJYJZCCLAIGCG-LLVKDONJSA-N 308.359 1.685 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(CCn3cccn3)C2)nc1 1776000479 IAELCHIFIJOGQE-OAHLLOKOSA-N 301.394 1.773 0 40 DDAB COC(=O)[C@H](C)NC(=O)N1CCN(Cc2ccccc2)CC1 20358305 YABNUFSIMVNVNV-ZDUSSCGKSA-N 305.378 1.075 0 40 DDAB CC(C)N(C)CC(=O)N1CCc2c(CN(C)C)cncc2C1 1565553257 QQYXZSFHYQHNSN-UHFFFAOYSA-N 304.438 1.368 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CN1C 1565542705 WFXWLMBRGJNWBV-MRXNPFEDSA-N 319.449 1.907 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2CCN1c1cncnc1 1565545090 VVPTVOCXNFMVDY-AAEUAGOBSA-N 318.352 1.180 0 40 DDAB COc1ccc(N2C[C@@H](NC(=O)NCC(C)C)CC2=O)cc1 4479561 MYRUNTOKSHTADN-LBPRGKRZSA-N 305.378 1.756 0 40 DDAB CS(=O)(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907125 AVKAVSJOJWVYSY-OAHLLOKOSA-N 320.414 1.928 0 40 DDAB Cc1nc(C(=O)NCCn2ccnc2-c2cnccn2)cs1 585147625 RCKPDWATQWYCES-UHFFFAOYSA-N 314.374 1.535 0 40 DDAB COc1cc(OC)nc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 2298179004 RKQLYZHGINNZPM-LLVKDONJSA-N 322.409 1.625 0 40 DDAB O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 5146350 PWBCMFRVRQSIEB-OXJKWZBOSA-N 323.707 1.850 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 100885728 MVEDZDROOIFVKH-IATRGZMQSA-N 319.382 1.593 0 40 DDAB Cc1cc(NC(=O)CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)no1 40540235 AUHYXFFYDSFMCS-OKILXGFUSA-N 323.393 1.582 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2F)C1 20589126 JUXQJPCKYHWQEB-UHFFFAOYSA-N 318.352 1.650 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1OC 51356604 HJDUFWROGLRIEN-UHFFFAOYSA-N 322.342 1.956 0 40 DDAB COc1cccc([C@H](NC(=O)[C@H]2CCCO2)c2nccn2C)c1 29091045 COVWOHMOWKTBHE-CABCVRRESA-N 315.373 1.813 0 40 DDAB O=C(NCc1ccoc1)c1ccc(S(=O)(=O)NC2CC2)cc1 45783926 RVPRXDJXVIHWMS-UHFFFAOYSA-N 320.370 1.650 0 40 DDAB Cc1c(C(=O)O)sc2nc(O)n(Cc3ccco3)c(=O)c12 8914915 DMGSWYXSHPHDFP-UHFFFAOYSA-N 306.299 1.812 0 40 DDAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)NC[C@H]1CCCO1 17735911 OQEHNONODDYCKD-LLVKDONJSA-N 321.764 1.345 0 40 DDAB COc1ccc(Nc2nc(OC)nc(N3CCOCC3)n2)cc1 910009 RPSCCKVMEGUKOO-UHFFFAOYSA-N 317.349 1.469 0 40 DDAB Cc1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 20721821 IRWNXXFZGGQKRT-JTQLQIEISA-N 310.400 1.522 0 40 DDAB COC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCOCC1 2524308 FETZISJHTFVPGH-AWEZNQCLSA-N 307.346 1.881 0 40 DDAB Cn1cc(CN[C@@H]2CCc3ncnn3C2)c(-c2ccncc2)n1 69741058 NVEJQTBZFDSGHD-CQSZACIVSA-N 309.377 1.178 0 40 DDAB CC(C)OCCOC[C@@H](O)CN(C)CCOc1ccccc1 69702371 ZXPJDZYCEOSQDS-INIZCTEOSA-N 311.422 1.800 0 40 DDAB CNC(=S)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 4131789 VUEAWCQFHJHXCV-UHFFFAOYSA-N 319.430 1.525 0 40 DDAB O=C(NCc1ccccc1F)[C@H]1CC[C@H](C(F)(F)F)NC1=O 32672761 SHTSEBILSADENS-MWLCHTKSSA-N 318.270 1.899 0 40 DDAB COc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2N)cc1 4985009 LXMITIDGJXAUBA-UHFFFAOYSA-N 323.356 1.788 0 40 DDAB COc1cccc(OC)c1C(=O)Nn1c(C)nnc1SC 6452405 LYWDHQCXCKQEEJ-UHFFFAOYSA-N 308.363 1.710 0 40 DDAB O=C(NCc1ccccc1CN1CCOCC1)C1CCOCC1 32741147 NZXALNOYBVTVHE-UHFFFAOYSA-N 318.417 1.562 0 40 DDAB CC[C@H](C)NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 21577404 WVRPICBXFVMHOP-JTQLQIEISA-N 309.391 1.355 0 40 DDAB Cc1nc(C(=O)/N=c2/sccn2C)nn1-c1ccc(F)cc1 32808657 RQUVVDCVSFLDKK-SAPNQHFASA-N 317.349 1.856 0 40 DDAB O=C(NC[C@@H](O)COc1ccccc1)c1cc(C2CC2)[nH]n1 41331479 SYUZZXVCRDYCLV-GFCCVEGCSA-N 301.346 1.457 0 40 DDAB O=C(Cc1ccccc1F)N1CCN(C[C@@H]2CCCO2)CC1 33028376 UPXWHJQUJYPPAK-HNNXBMFYSA-N 306.381 1.691 0 40 DDAB O=C(NCc1ccc(F)cc1)c1nnc(Cn2ccnc2)s1 26911046 OZRKSHDXNRCNKM-UHFFFAOYSA-N 317.349 1.852 0 40 DDAB O=C(NCCNC(=O)C1CC1)C1=NO[C@H](c2ccccc2)C1 52998272 CYMARNRZYSXCGR-AWEZNQCLSA-N 301.346 1.146 0 40 DDAB COC(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1c(OC)cccc12 103008043 DLAIRTVEVSFSPC-BFVZDQMLSA-N 308.359 1.112 0 40 DDAB CCOC(=O)N1[C@@H]2C3C4[C@H]5C=C[C@H]4[C@@H]2[C@H]5[C@H]3N1C(=O)OCC 104287364 RSHGBAWRRZYYBS-SNDFPQCMSA-N 304.346 1.877 0 40 DDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC1CC1 42207455 HXOPHJKYFUMJNG-NSHDSACASA-N 317.842 1.704 0 40 DDAB O=C1O[C@@]23CCC[C@H]2[C@H]2[C@H]4[C@H]5[C@H]6[C@H]7CCC[C@]78OC(=O)[C@@]2([C@@H]58)[C@]16[C@H]43 104287796 BUGJQNBAIFDVLY-RGHBNJAXSA-N 324.376 1.916 0 40 DDAB C[C@H](C(=O)NCCCCN(C)c1ccccc1)n1cncn1 53212376 PNBOTNVCDWRDPE-CQSZACIVSA-N 301.394 1.872 0 40 DDAB CCc1nnc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)o1 24038613 AACOTRUFKNGNEV-UHFFFAOYSA-N 324.358 1.701 0 40 DDAB C[C@@H]1NC(=S)N(c2ccc(C(=O)NC3CC3)c(Cl)c2)C1=O 55179553 SJVHGYOLCAGSDC-ZETCQYMHSA-N 323.805 1.842 0 40 DDAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccn1 25405563 ALDNVUUSSOGATB-NSHDSACASA-N 319.386 1.944 0 40 DDAB CC(C)NC(=O)CN1CCN(C(=O)NCc2ccccc2)CC1 25531628 CEGYNOKDXVWUDI-UHFFFAOYSA-N 318.421 1.038 0 40 DDAB CCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207828 NPQGBTGAAGVERX-UHFFFAOYSA-N 320.798 1.105 0 40 DDAB CCN1CCC(NC(=O)NC[C@H]2Cc3ccccc3O2)CC1 47980412 CUPPKWCAMNESIL-OAHLLOKOSA-N 303.406 1.774 0 40 DDAB CC(=O)N[C@@H](C(=O)c1cccs1)S(=O)(=O)c1ccccc1 27015416 IZXCLNNBEPWDMC-CQSZACIVSA-N 323.395 1.867 0 40 DDAB CN(C)c1cc(C(=O)NC[C@@H](c2ccco2)N(C)C)ccn1 48016423 WSXZFFKBJWJIKI-ZDUSSCGKSA-N 302.378 1.773 0 40 DDAB CCc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)s1 44954602 ARCQRDIAHATIKA-GFCCVEGCSA-N 311.451 1.830 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(OC(F)F)c1 48258786 PKFPLCPDZKORLK-UHFFFAOYSA-N 312.272 1.766 0 40 DDAB COCCn1c(O)cc2nn(-c3ccc(F)cc3)c(=O)c-2c1C 36585071 AOZKRLGGITUYPN-UHFFFAOYSA-N 317.320 1.938 0 40 DDAB Cc1ccc([C@@H](C)N(C)CCS(=O)(=O)CCC(N)=O)s1 48580495 LCKALFPXBOHZPD-LLVKDONJSA-N 318.464 1.340 0 40 DDAB Cc1ccc([C@H]2NC(N)=Nc3nc(=O)c4ccccc4n32)cc1 13635367 BZOFNDDXXUWKIW-AWEZNQCLSA-N 305.341 1.801 0 40 DDAB C[C@H](NC(=O)Nc1ccc(N(C)C)nc1)C(=O)NC(C)(C)C 65610662 KCNUQWPTTHRQCW-JTQLQIEISA-N 307.398 1.572 0 40 DDAB C[C@H](O)CN1CCC(CN[C@@H](C)c2nc(C3CC3)no2)CC1 69511546 UFFDBCISTWLMAM-RYUDHWBXSA-N 308.426 1.690 0 40 DDAB NC(=O)NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 17288403 VJLWEFXKTOOXSG-JTQLQIEISA-N 304.375 1.628 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4702814 FFLXBNFRQNGMHI-KKUMJFAQSA-N 301.390 1.723 0 40 DDAB COc1cccc(/C=C2/SC(=O)NC2=O)c1O[C@@H](C)C(=O)O 4743034 LYYBMSNYYPCRJF-FSEMZKDTSA-N 323.326 1.871 0 40 DDAB O=C(NCc1nnc2ccccn12)[C@H]1COc2ccccc2O1 6851123 NIWLRMGVJXRMEZ-CYBMUJFWSA-N 310.313 1.186 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(N2CCCC2=O)cc1 7627689 RQQLXMHKDWUNHM-GFCCVEGCSA-N 317.389 1.458 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 7667632 NGGBZOGLAYXPSO-PHIMTYICSA-N 324.402 1.369 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@@H]1C 16049852 ZPDHGWNKRPDOPE-MRVPVSSYSA-N 324.358 1.423 0 40 DDAB CC1(C)C[C@H](NC(=O)Cn2ncc3ccccc3c2=O)CCO1 71284313 LXWBOBWHKBDZNV-CYBMUJFWSA-N 315.373 1.470 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H]2CCOC2)cc1 96430683 OXKOPJRYGRAIGM-HZPDHXFCSA-N 316.401 1.639 0 40 DDAB Cc1sc(=O)n(CCN2C(=O)NC3(CCCC3)C2=O)c1C 96428925 HQKMYTKKWQYXCD-UHFFFAOYSA-N 309.391 1.391 0 40 DDAB Cc1ccc(N2CCCN(C(=O)C[C@H]3CCCO3)CC2)nn1 71860377 SLCFXFWYKCBNGL-CQSZACIVSA-N 304.394 1.393 0 40 DDAB O=C(c1ccc(NC2CC2)nc1)N1CCN(CC2CC2)CC1 71830303 FLGXURAGYDPMKA-UHFFFAOYSA-N 300.406 1.824 0 40 DDAB CN(C[C@H]1CN(Cc2cccc(F)c2)CCO1)c1cccnn1 83859292 SYPWOXJZJDCZCO-INIZCTEOSA-N 316.380 1.953 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)C[C@H](C)n3cccc3)CCO2)n1 83829854 RATOUKILRAQMJR-QWHCGFSZSA-N 317.393 1.720 0 40 DDAB CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)no1 76044292 DJGJZVXXQNHPCG-LLVKDONJSA-N 317.349 1.264 0 40 DDAB CC1CCC(N2C[C@@H](C(=O)N[C@H](CCO)C(C)C)CC2=O)CC1 84689314 YSBQHWGQJHTHGI-BHDPWAOGSA-N 324.465 1.937 0 40 DDAB O=C(CSC(F)(F)F)N(C1CC1)[C@H]1CCS(=O)(=O)C1 95350031 LJVFCBUEZXLEAH-QMMMGPOBSA-N 317.354 1.418 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)cc1N(C)C 95441158 AZOMEZIXEZDDBM-SWLSCSKDSA-N 312.435 1.500 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)N1C[C@H](C(=O)O)c2ccccc21 78002121 DBECSKXBMGXKDX-JTQLQIEISA-N 307.331 1.095 0 40 DDAB N[C@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 95996566 CHMFFVWNYDQHKQ-INIZCTEOSA-N 314.364 1.569 0 40 DDAB COC[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 78241782 ZYABXMNLVZXUPP-SECBINFHSA-N 322.224 1.903 0 40 DDAB NC(=O)[C@H](Nc1ccn(Cc2ccccn2)n1)c1ccccc1 86152769 WTBJXAYPWKRDBV-MRXNPFEDSA-N 307.357 1.965 0 40 DDAB CN(c1nc(CN2CCN(C3CC3)C(=O)C2)cs1)C1CC1 89365642 LNPXJOREXKAEMI-UHFFFAOYSA-N 306.435 1.548 0 40 DDAB Cc1n[nH]c([C@H]2CN(CCC(=O)NC3CCCCC3)CCO2)n1 78892374 OSCIXVYAPCFWTH-CQSZACIVSA-N 321.425 1.325 0 40 DDAB CC[C@H](COC)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 78844257 XRSARAAJIMUWTK-CVEARBPZSA-N 318.417 1.761 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCSCC1)C2 75127247 UOADSNZOWMCUJQ-LBPRGKRZSA-N 308.403 1.757 0 40 DDAB CC(=O)Nc1cccc(OCCNC(=O)NC2CCOCC2)c1 75127682 LARMXSUOFKVIJU-UHFFFAOYSA-N 321.377 1.502 0 40 DDAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)CNC(=O)c1cccs1 79018480 JUQFUIOJJNILSX-RISCZKNCSA-N 310.419 1.655 0 40 DDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)N1CCSCC1 79501795 XIRJRBLURQYNCJ-UHFFFAOYSA-N 310.419 1.271 0 40 DDAB CC(C)N1Cc2ncnn2C[C@@H](C(=O)NCc2ccccc2)C1 306128873 HNINMWBDYTWAPL-HNNXBMFYSA-N 313.405 1.435 0 40 DDAB CCCN1C(=O)N/C(=C/c2ccccc2OCC(=O)OC)C1=O 409241173 JFUWOTGUDIDTMO-FMIVXFBMSA-N 318.329 1.541 0 40 DDAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)C(=O)NC1CCCC1 73051561 ZMQDPLKSLCKGLE-GWCFXTLKSA-N 320.437 1.769 0 40 DDAB O=C1CCSC[C@@H](C(=O)Nc2cccc(OC(F)F)c2)N1 75171486 KXJIEBZBHBMYGM-JTQLQIEISA-N 316.329 1.848 0 40 DDAB CC[C@@H]1CN(c2ccc3c(n2)CCC3=O)CCN1C[C@H](C)O 519461593 JOIOXYONWQFUSO-QWHCGFSZSA-N 303.406 1.492 0 40 DDAB O=C(NCCc1ccccn1)[C@H](c1ccccc1)n1cnnn1 79483732 LBDIQKHDRJWBMX-HNNXBMFYSA-N 308.345 1.016 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1(COC)C(=O)O 218521616 MZCUCTNIHYFXLW-SGMGOOAPSA-N 316.350 1.444 0 40 DDAB CCOC(=O)c1ccc(CNC(=O)c2c(C)nn(C)c2C)o1 79586666 IFHXPVAEPWQEOY-UHFFFAOYSA-N 305.334 1.737 0 40 DDAB NC(=O)CN1CCC[C@@H](c2cccc(Oc3cccnc3)n2)C1 72367853 FWZFTPFVMAWZTJ-CYBMUJFWSA-N 312.373 1.934 0 40 DDAB CCCCC[C@H](C)NC(=O)CS(=O)(=O)Cc1nc(C)no1 46129988 MNKGYJLBITUMIR-JTQLQIEISA-N 317.411 1.378 0 40 DDAB Cn1ccnc(N2CCN(c3nc4ccccc4o3)CC2)c1=O 174731725 SHDFCJOVSUOSKR-UHFFFAOYSA-N 311.345 1.248 0 40 DDAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccnn2)c1 527761381 GQKDCBFGUATRII-UHFFFAOYSA-N 311.345 1.428 0 40 DDAB Cn1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)cn1 46088653 DKCIGZRRWBNGIM-UHFFFAOYSA-N 300.318 1.782 0 40 DDAB COc1cncc(O[C@H]2CCN(C(=O)c3cccs3)C2)n1 225393498 CLHOXSJVPKEZCG-JTQLQIEISA-N 305.359 1.840 0 40 DDAB COCc1nc(C2CC2)[nH]c(=O)c1I 85449282 FXQUVAUSBICYLM-UHFFFAOYSA-N 306.103 1.398 0 40 DDAB COc1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc1 40386661 WGAKYPAFFMIBEV-SNVBAGLBSA-N 315.333 1.192 0 40 DDAB CN(c1ccc(CC(=O)NCc2ccco2)cc1)S(C)(=O)=O 225976448 MABPDZQKJGKYHU-UHFFFAOYSA-N 322.386 1.534 0 40 DDAB COc1ccc(C(=O)N[C@H](C)CCN2CCOCC2)c(C)c1 96426493 VKRBIIGZLUYMNK-CQSZACIVSA-N 306.406 1.844 0 40 DDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4cocn4)CC3)O2)n1 96109985 QJMDBFQVAFHUBX-GFCCVEGCSA-N 318.333 1.893 0 40 DDAB CC(C)N(C)Cc1ncn2c1CN(C(=O)[C@H]1CCCO1)CCC2 96084630 AGCPCSPAZDLYCK-MRXNPFEDSA-N 320.437 1.635 0 40 DDAB COC(=O)c1ccc(Cn2c(-c3ccccn3)noc2=O)s1 96465957 SSQAAUZOBUSCNO-UHFFFAOYSA-N 317.326 1.795 0 40 DDAB CC[C@@H](C)n1cnc(S(=O)(=O)N2CCCn3ncnc32)c1 96471620 NUIXMVNYIBUYSF-SNVBAGLBSA-N 310.383 1.045 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(-n2cccn2)ccn1 96449514 GYWQMCNLDVQVPN-IAGOWNOFSA-N 320.352 1.655 0 40 DDAB O=S(=O)(Cc1ccccc1)NC[C@H](O)c1ccccc1F 96417484 IWMQPGVMPUDMNN-HNNXBMFYSA-N 309.362 1.979 0 40 DDAB CC(C)N(C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccccc1 96061680 XUYQGUPDOQLOGT-CVEARBPZSA-N 310.463 1.972 0 40 DDAB CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)[nH]n1 96483096 WTFMTSGNDPJOKA-LBPRGKRZSA-N 313.361 1.012 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96110729 JSMPTRAYSPKZRR-CABCVRRESA-N 321.446 1.859 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4ccccn4)C[C@H]3O2)n1 96058206 OCCIUKDGAVNEIV-IACUBPJLSA-N 314.345 1.765 0 40 DDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 97953329 DGEPAWMXMFROFZ-GDBMZVCRSA-N 308.378 1.023 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN(c2ncccc2C(=O)O)C1 96515900 CVUAFDGMJOHHCE-JTQLQIEISA-N 307.350 1.883 0 40 DDAB O=C(C1CCC1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247802110 GMTRFEODNRLDES-MRXNPFEDSA-N 323.433 1.990 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 248304423 MEVVEZMOJSNPHX-CQSZACIVSA-N 319.405 1.538 0 40 DDAB CCn1nncc1CNC(=O)Nc1cccc(N(C)C(C)=O)c1 529005609 WAMSKFWBQNPFAR-UHFFFAOYSA-N 316.365 1.602 0 40 DDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3COc2ccccn2)cn1 248146490 RZPCIMDKZQIWBH-OAHLLOKOSA-N 314.389 1.485 0 40 DDAB CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 257343311 ZSIYQQCUZUAIRC-QGZVFWFLSA-N 306.406 1.240 0 40 DDAB Cc1cc(O)nc([C@@]2(C)CCCN2C(=O)c2cncnc2C)n1 257302148 SBSFWUSPITZVED-MRXNPFEDSA-N 313.361 1.740 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)n1 257293779 QRDYNZUDDRWPTG-LBPRGKRZSA-N 323.422 1.296 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2ccnc3ccccc23)CC[C@@H]1O 257241708 HZGDQKQJSDXCLN-ROUUACIJSA-N 313.401 1.696 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccsc1 257221326 DOMARFRXWXVRRL-OAHLLOKOSA-N 316.386 1.084 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(F)cc1 257322704 WHAGXSBFIYVXFO-MRXNPFEDSA-N 314.320 1.233 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1C 257293281 QOWHEHYSUAMYBV-WBVHZDCISA-N 318.417 1.745 0 40 DDAB COc1c(C(=O)NCC(=O)N2CCOCC2)oc2ccccc12 252496918 PVBWFQRAHXKNRY-UHFFFAOYSA-N 318.329 1.030 0 40 DDAB Cc1ccsc1C(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257213073 CGBXKPMOVSOWLA-JHJVBQTASA-N 310.419 1.010 0 40 DDAB CCO[C@@H]1C[C@@](NC(=O)c2ccnc(O)c2)(C(=O)O)C1(C)C 262781608 JDLFBCFQQCFPJO-MEBBXXQBSA-N 308.334 1.175 0 40 DDAB CC[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cccc(F)c1F 287392117 DAKAXHDGSDBULU-WPRPVWTQSA-N 319.329 1.839 0 40 DDAB O=C(Cc1ccc(F)cc1)NCc1cn(-c2ccncc2)nn1 390832036 WSRPJVNMRMPDEX-UHFFFAOYSA-N 311.320 1.660 0 40 DDAB Cc1cc(N2CC(S(C)(=O)=O)C2)nc(-c2ccccn2)n1 577532257 FCEPTVZIZCSWTP-UHFFFAOYSA-N 304.375 1.080 0 40 DDAB O=S1(=O)C=C[C@@H](NC(=S)Nc2ccc3ncccc3c2)C1 575425873 ZIVDYVZGKOJGFV-GFCCVEGCSA-N 319.411 1.832 0 40 DDAB CCN(CC)C[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 585095478 ZIMYGHWCHUWMIF-AWEZNQCLSA-N 314.393 1.212 0 40 DDAB O[C@H](CNCc1cnc(N2CCOCC2)nc1)c1ccccc1 65514873 SQPWPERRICPUED-MRXNPFEDSA-N 314.389 1.136 0 40 DDAB CC1CCN(CCN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)CC1 245312427 JEBHLTIAESBLQP-LSDHHAIUSA-N 302.484 1.616 0 40 DDAB O=C(Nc1nccs1)N(CCO)CCOCC(F)(F)F 78671457 JVIOFUCSSFJLBZ-UHFFFAOYSA-N 313.301 1.548 0 40 DDAB CS(=O)(=O)CCC(=O)Nc1ccc(F)c(Br)c1 75346522 LJVLVRVULQIUGU-UHFFFAOYSA-N 324.171 1.961 0 40 DDAB CC(C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 5018760 HXKCKZYQUNYNPX-KPKJPENVSA-N 304.302 1.451 0 40 DDAB Nc1cc(=O)[nH]c(=O)n1CCc1c[nH]c2ccc(Cl)cc12 5205754 PYAASWMFUDXVPR-UHFFFAOYSA-N 304.737 1.496 0 40 DDAB CC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233460 VXQUWAJLNMEVEU-LLVKDONJSA-N 313.361 1.318 0 40 DDAB CCCn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 14258567 LCFGLHLZWWODHS-UHFFFAOYSA-N 321.337 1.361 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 17031169 OABOSBXICQEOPN-DGAVXFQQSA-N 305.330 1.902 0 40 DDAB CCCC[C@H](c1nnnn1CCOC)N1CCN(CC)CC1 19502143 NGNQHGICLXESLS-CQSZACIVSA-N 310.446 1.188 0 40 DDAB c1ccc(COC(CN2CCOCC2)CN2CCOCC2)cc1 19806004 WIWOVPZUTLHJEB-UHFFFAOYSA-N 320.433 1.236 0 40 DDAB O=S1(=O)CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 158569824 OWWDKKJAEIIAMJ-UHFFFAOYSA-N 312.782 1.456 0 40 DDAB O=S(=O)(NC[C@@H]1CNCCCO1)c1cc(F)cc(Cl)c1 518739593 MHWWHVKKHCCWBB-NSHDSACASA-N 322.789 1.136 0 40 DDAB O=C(N[C@H]1CCCOC1)c1ccc(-n2cnnc2)cc1Cl 12148329 CFOVWONWUBWWDG-JTQLQIEISA-N 306.753 1.830 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)NC[C@H]3CCCO3)cn2)C[C@@H](C)O1 30018023 UEXVFACIWSHROM-VNHYZAJKSA-N 319.405 1.604 0 40 DDAB CN1C[C@]2(CCN(Cc3cccc(F)c3F)C2)COCC1=O 2037984406 ZWVNKAQUDHJBTN-INIZCTEOSA-N 310.344 1.646 0 40 DDAB OC1(CN2CCN(c3nccc(N4CCCC4)n3)CC2)CCC1 2087122210 CKBFNIOVNOQHOO-UHFFFAOYSA-N 317.437 1.114 0 40 DDAB COCC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565542573 OZYMIXLWKMONGI-HNNXBMFYSA-N 315.373 1.308 0 40 DDAB Cc1cc(C)cc(C(=O)N2CC[C@H]3CN(S(C)(=O)=O)C[C@@H]32)c1 1565542158 XODFQMPSGLTKEK-ZFWWWQNUSA-N 322.430 1.409 0 40 DDAB CN1CCO[C@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@H]2C1 1565546033 UPFGPVQWTQLFRV-AAEUAGOBSA-N 309.797 1.528 0 40 DDAB CN(C)c1cccc(C(=O)NC[C@@]2(OCCO)CCSC2)c1 1565520190 HXFSZZSYINGITO-INIZCTEOSA-N 324.446 1.367 0 40 DDAB CO[C@H](CCSC)CNC(=O)C(=O)Nc1cccc(F)c1 1775967879 FMXCTYXSVWCDOL-GFCCVEGCSA-N 314.382 1.649 0 40 DDAB Cc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(N)n1 49410990 NZDPOSDEZZKIRS-UHFFFAOYSA-N 306.753 1.104 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)NCc1c(F)cccc1F 585149712 KFQDTWHDQYFQCT-MFKMUULPSA-N 310.344 1.989 0 40 DDAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccno1 244975210 IGQSGTTWIZPFMM-AWEZNQCLSA-N 304.327 1.995 0 40 DDAB CC(C)(C)c1ccc(N2CCO[C@@H](C(=O)NC3CC3)C2)nn1 2298171797 TTWGIOGQRRUXMW-GFCCVEGCSA-N 304.394 1.258 0 40 DDAB CC[C@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1 30850543 DSDBXBVHDMCCMS-ZDUSSCGKSA-N 315.373 1.342 0 40 DDAB COCC(=O)Nc1ccc(NC(=O)c2ccc[nH]c2=O)cc1 31139944 RWZSONWMUHVWPM-UHFFFAOYSA-N 301.302 1.212 0 40 DDAB Cc1nc(C)c(CC(=O)NCCc2cccc(Cl)c2)c(=O)[nH]1 31214901 GOKOPWMWDRWONV-UHFFFAOYSA-N 319.792 1.942 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCO[C@@H](C)C3)ccc21 40477914 VXDOZYDNWGPKHK-NSHDSACASA-N 315.373 1.586 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1 31700112 GIUYKHXRVXGERK-QMMMGPOBSA-N 304.268 1.952 0 40 DDAB NC(=O)C1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 40513953 LDDLQUZNZQDSAZ-UHFFFAOYSA-N 316.336 1.349 0 40 DDAB Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1 40521651 ISQADIPTAMAFSF-OAHLLOKOSA-N 312.373 1.579 0 40 DDAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C2=COCCO2)cc1 11444823 BHTJEQBLXTXDFB-JTQLQIEISA-N 319.313 1.648 0 40 DDAB CN1C[C@H](C(=O)N2CCCN(Cc3ccccc3)CC2)CC1=O 46180642 XKCBZCDXVZYEFW-MRXNPFEDSA-N 315.417 1.199 0 40 DDAB NC(=O)C(=O)[C@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 1636170 LCKONQIIZYWIMG-HNNXBMFYSA-N 317.366 1.397 0 40 DDAB Cn1ccs/c1=N\C(=O)c1cccc(CN2CCCC2=O)c1 29763091 HMAWPKHIYIXOEN-MSUUIHNZSA-N 315.398 1.950 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1 21212987 XWWPQPGKURSWKQ-GFCCVEGCSA-N 316.386 1.834 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@H]1CCCCC1=O 4251248 SSVRNIXGKNADPL-AWEZNQCLSA-N 314.341 1.911 0 40 DDAB COc1ccccc1-n1nnnc1S[C@@H]1C[C@@H](C)OC1=O 32736414 CMQLQFDPLLLIMW-LDYMZIIASA-N 306.347 1.467 0 40 DDAB COc1ccc(CN(C)C(=O)[C@@H](NC(C)=O)C(C)C)cc1F 32719759 PEEZYSURYCGZRW-HNNXBMFYSA-N 310.369 1.953 0 40 DDAB CC[C@H](NC[C@@H]1CCCCO1)c1cccc(S(N)(=O)=O)c1 96008608 IVVXVLKOYNIAGG-ZFWWWQNUSA-N 312.435 1.944 0 40 DDAB Cc1ccc(OCCOC(=O)c2nc3nccc(C)n3n2)cc1 2646864 LDFDLOYUYQJWQX-UHFFFAOYSA-N 312.329 1.977 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)no1 32929953 YKBRZQXNSXQANG-UHFFFAOYSA-N 320.370 1.487 0 40 DDAB CC(C)OC(=O)CCNS(=O)(=O)Cc1ccc(F)cc1 32901263 SAEKNAMFHAEIFG-UHFFFAOYSA-N 303.355 1.587 0 40 DDAB CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C)n[nH]1 89833996 MUUZRHCGCSPJJX-ZDUSSCGKSA-N 311.349 1.575 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)NCc2ccccc2)cc1 52635729 KSYIEZNJZYPAOC-UHFFFAOYSA-N 319.386 1.333 0 40 DDAB Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(F)c1 21892604 CFBGHQZQKRORJY-UHFFFAOYSA-N 314.382 1.744 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 52997637 QPXHCZKJQUNAMM-RKDXNWHRSA-N 301.330 1.658 0 40 DDAB Cc1ccccc1N1CCN(c2ncnc3c2cnn3C)CC1 22000210 YUPOBKOBUSHOPT-UHFFFAOYSA-N 308.389 1.998 0 40 DDAB Cc1cc(CN2CCN(Cc3ncc(Cl)n3C)CC2)no1 53136182 PEVMEMSVEDIDKW-UHFFFAOYSA-N 309.801 1.688 0 40 DDAB CC(C)CNC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 22891318 VWQOOUYGCUXHSP-UHFFFAOYSA-N 323.441 1.083 0 40 DDAB O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc[nH]c1=O 53990719 GVRNGMHXJYWJQK-UHFFFAOYSA-N 312.373 1.164 0 40 DDAB CCOCCCN1C(=O)/C(=C/c2ccc(O)cc2)NC1=S 105328077 RAMBOLNJVYTLKN-RAXLEYEMSA-N 306.387 1.876 0 40 DDAB Cc1cnc(NC(=O)COc2ccc(-n3cnnn3)cc2)s1 27976049 GZIWIYUCWXHQMX-UHFFFAOYSA-N 316.346 1.445 0 40 DDAB O=C(CCn1cc(Br)cn1)NC[C@H]1CCCO1 27938952 WPWWOEXFWHGHLG-SNVBAGLBSA-N 302.172 1.331 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 57355429 RQRHUDCTZQXQIK-GDBMZVCRSA-N 302.374 1.455 0 40 DDAB Cc1c(Cl)cccc1N(CC(=O)N(C)C)S(C)(=O)=O 22273583 WWXKKMYNHSEZTB-UHFFFAOYSA-N 304.799 1.503 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)C(C)C 24817910 FTAZYIWZUZURNL-WBVHZDCISA-N 317.433 1.790 0 40 DDAB Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1 24715814 QGHQJJJDHRWKKC-UHFFFAOYSA-N 312.435 1.384 0 40 DDAB CC(=O)N1CCc2cc(C(=O)NC[C@@H]3CCCOC3)ccc21 55923364 AGBVVEMPWRMRFC-ZDUSSCGKSA-N 302.374 1.752 0 40 DDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 57293397 HMRLWGJSVMHAQE-CYBMUJFWSA-N 305.378 1.788 0 40 DDAB Cc1cc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)[nH]n1 57520072 LJQOTCVMBKQBPU-UHFFFAOYSA-N 317.736 1.720 0 40 DDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCCO1 27393758 WSYNLDWLGGLSSY-GFCCVEGCSA-N 315.373 1.541 0 40 DDAB CCc1ccc(N2C[C@@H](C(=O)NCCCOC)CC2=O)cc1 21449740 QPCFIJNPFYKJCX-AWEZNQCLSA-N 304.390 1.755 0 40 DDAB CCN1CCC(NC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 47980411 CUPPKWCAMNESIL-HNNXBMFYSA-N 303.406 1.774 0 40 DDAB FC(F)(F)c1nnc2ccc(NCCNc3ncccn3)nn12 47996262 LQMUVIPKBRWFBQ-UHFFFAOYSA-N 324.270 1.457 0 40 DDAB COc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1OC(F)F 58168824 QLNKBJSPGVXWDD-JTQLQIEISA-N 300.305 1.617 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 44871456 HFMUTMPUNUULML-MRVPVSSYSA-N 305.758 1.325 0 40 DDAB Cn1cc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1 44888975 GEILKRJXRAVBNI-IWAYRVGRSA-N 310.401 1.824 0 40 DDAB Cc1cc(C(=O)N2CCOCC2(C)C)c2c(C)nn(C)c2n1 58263965 RQOCNJIYNHBYQT-UHFFFAOYSA-N 302.378 1.836 0 40 DDAB CCOCCCC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 58365033 YRROBLGDJGCSTI-UHFFFAOYSA-N 323.393 1.521 0 40 DDAB Cn1nc(C(=O)Oc2ccc3c(c2)OCO3)c2ccccc2c1=O 3354125 HMUMSKJPULWRSE-UHFFFAOYSA-N 324.292 1.881 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 48234372 YLLIGOSVNLZNEK-FZMZJTMJSA-N 318.373 1.646 0 40 DDAB O=c1cc(CN(Cc2ccsc2)Cc2ccco2)[nH]c(=O)[nH]1 48286067 DLPOFUJKWYBVCZ-UHFFFAOYSA-N 317.370 1.920 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(C)C)C1=O 3462039 PUVYDYCNVZNDBT-QGZVFWFLSA-N 317.389 1.616 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)NCc1ccco1 8341620 UOHZUCAGIMHUSZ-UHFFFAOYSA-N 311.135 1.520 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCCCCC2)C1 69453242 FLJYKGFKNVNRPL-CQSZACIVSA-N 310.394 1.191 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)C1CCN(Cc2ccccc2)CC1 64099140 IEHQJCRMVHSIKF-MRXNPFEDSA-N 315.417 1.293 0 40 DDAB CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 8485155 MNZFAKBBWSBLJB-UHFFFAOYSA-N 322.386 1.802 0 40 DDAB c1cc(CN2CCC[C@@H](Cn3cncn3)C2)c2c(c1)OCCO2 69630218 DLUCTKXJPQWOHI-CQSZACIVSA-N 314.389 1.962 0 40 DDAB CC(C)c1nc2c(n1C)CCN(CCCN1CCCC1=O)C2 69696925 JRDIOCBEXNXJEJ-UHFFFAOYSA-N 304.438 1.914 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCCCC1)C2=O 4308879 TUKUYSPIVTWMNM-CXAGYDPISA-N 321.421 1.890 0 40 DDAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 4314100 ZFQDGPQWJQVERZ-QMMMGPOBSA-N 303.366 1.274 0 40 DDAB CCN(C(=O)CN[C@H]1CCc2ncnn2C1)C1=CCCCC1 69894923 HMAULVGBWMVXFM-ZDUSSCGKSA-N 303.410 1.489 0 40 DDAB O=C(CSC1=NCCS1)NC(=O)NCc1cccs1 8523110 GQCHUEFCWAWLIG-UHFFFAOYSA-N 315.445 1.910 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 65403936 XRBJCPFDRSZUCQ-GFCCVEGCSA-N 323.824 1.761 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CNC(=O)NC1CC1 65594793 JFQWDHKLBDIFGK-JTQLQIEISA-N 309.797 1.849 0 40 DDAB Cc1ccccc1SCC(=O)NCCN1CCN(C)CC1 65550656 DVWJDGXANWSDLI-UHFFFAOYSA-N 307.463 1.451 0 40 DDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1Cn1cccn1 69981645 MOTWKYZFQSHRME-XHSDSOJGSA-N 321.421 1.848 0 40 DDAB CC(C)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 65603570 GSJUAHGDWJYFOG-QMMMGPOBSA-N 324.855 1.841 0 40 DDAB CC(=O)NCC(=O)NCc1ccc(N2CCC(C)CC2)nc1 65612079 ACMTZAZLZKJNAQ-UHFFFAOYSA-N 304.394 1.070 0 40 DDAB Cc1cc(COC(=O)c2ccccc2NS(C)(=O)=O)no1 18263480 LRDZMQQKUKHKOG-UHFFFAOYSA-N 310.331 1.712 0 40 DDAB C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)[C@H]1COCCO1 66885758 UYHPXUYLMPSWDZ-IAQYHMDHSA-N 308.330 1.695 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCN(c2ccccc2F)CC1)C(C)C 6910017 YUIWQBJVHYGRGT-INIZCTEOSA-N 321.396 1.635 0 40 DDAB c1ccc(-n2cnc(CN3CCCC[C@H]3C3OCCO3)n2)cc1 92795948 GUGJKCCRRLBDGH-HNNXBMFYSA-N 314.389 1.995 0 40 DDAB Cc1cc(NC(=O)CSc2nc([C@H]3CCCO3)n[nH]2)no1 8924398 KRQKNZDSRCBXDJ-MRVPVSSYSA-N 309.351 1.683 0 40 DDAB CCNc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 7247368 SNOBHZRQHRWPRW-ZCFIWIBFSA-N 303.413 1.282 0 40 DDAB CCC[C@@H]1C[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 96003093 OPBVFBOWLCZBBE-USXIJHARSA-N 324.465 1.951 0 40 DDAB COc1cc2c(cc1CN[C@H]1CCS(=O)(=O)C1)O[C@H](C)C2 71837458 UVWIJZKYFYFSGM-MFKMUULPSA-N 311.403 1.295 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cccc2c1OCO2 71857651 WZDUXNFJYRRVLC-RISCZKNCSA-N 321.329 1.426 0 40 DDAB O=C(CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)Nc1cn[nH]c1 71884641 OEGHRDFXEBYCJQ-OLZOCXBDSA-N 318.764 1.922 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3ccco3)CC2)cn1 71830445 DKXRWLIHGBJROU-HOTGVXAUSA-N 314.389 1.461 0 40 DDAB CCN(C)S(=O)(=O)N(CC)C[C@H](O)c1ccc(C)cc1 89960866 WTDYZSJTQQDESW-AWEZNQCLSA-N 300.424 1.547 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)CN2Cc3ccccc3C2=O)CC[S@@]1=O 72290783 GWVDRFIHWZAUST-HIMNYSJASA-N 320.414 1.010 0 40 DDAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nnn[nH]1 72288576 KQFFOKDNJUPICR-UHFFFAOYSA-N 304.310 1.644 0 40 DDAB COCCN1CCN(Cc2cn3c(C)cc(C)nc3n2)CC1 72296368 GMGXKWAYWOFBSR-UHFFFAOYSA-N 303.410 1.110 0 40 DDAB Cc1ccc(NC(=O)Cc2noc(CN3CCOCC3)n2)cc1 97164364 KNMRFFSOJYXJNV-UHFFFAOYSA-N 316.361 1.391 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCn3c(nc(C)c3C)C2)on1 97201092 PJQIJKUFTJILCL-LBPRGKRZSA-N 303.366 1.639 0 40 DDAB COc1ccc(Cl)cc1Nc1nc2nonc2n2nnnc12 408972359 AZPYXDYMILWOMD-UHFFFAOYSA-N 318.684 1.461 0 40 DDAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@H](O)c1ccccc1 95438664 AVLCSWMKNMPRAJ-UONOGXRCSA-N 320.320 1.192 0 40 DDAB COC(=O)CC(C)(C)CC(=O)NCCCNc1ncccn1 95451530 AEJNRLZKPDIFNZ-UHFFFAOYSA-N 308.382 1.374 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306135237 OLKPVGUADBILIS-JHJVBQTASA-N 320.364 1.873 0 40 DDAB COc1cccc2c1OC[C@H](C(=O)N1C[C@H](C)[C@@H](N(C)C)C1)C2 78894553 PMWXJEQUOTVXHZ-CFVMTHIKSA-N 318.417 1.655 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)O)c(C)c1 88376910 JBNGELCRKGXHGB-GFCCVEGCSA-N 313.375 1.086 0 40 DDAB COc1ccccc1CSCC(=O)N[C@H]1CCCCNC1=O 89473776 MMIMHVVSVXOXHI-ZDUSSCGKSA-N 322.430 1.713 0 40 DDAB COC[C@@H]1CCCN1C(=O)CN1C(=O)COc2ccccc21 75093829 NUZCVMKVSWTMIZ-LBPRGKRZSA-N 304.346 1.049 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)c(C)n2)cc1 217401780 BXLRIFQEHDIAPF-UHFFFAOYSA-N 323.330 1.293 0 40 DDAB Cc1cc(C(=O)NC[C@H](O)[C@H]2CCOC2)c2ccccc2n1 532145915 SSWLLQUZIBVRST-LRDDRELGSA-N 300.358 1.670 0 40 DDAB Cn1ccnc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 75546290 OIODEOJKHHDVOE-UHFFFAOYSA-N 308.345 1.335 0 40 DDAB CC(C)C(=O)Nc1ccc([C@H]2OCC(=O)N(C)[C@@H]2CO)cc1 72321452 NHSSMVYXQVOXRU-UKRRQHHQSA-N 306.362 1.172 0 40 DDAB biogenic,in-vitro CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1 39985167 WPNBASBPGHYCBE-UHFFFAOYSA-N 312.435 1.860 0 40 DDAB O=C(NCc1ccco1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655731 WGKLUTSJAVKDCS-UHFFFAOYSA-N 320.295 1.946 0 40 DDAB CN(C)c1ccccc1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 72629506 QOLBMKVXBTYWKQ-HNNXBMFYSA-N 308.447 1.904 0 40 DDAB O=C1N[C@]2(CCCN(C(=O)c3cccnc3)C2)Oc2ccccc21 72347562 ZCLCNZQAAMTLKG-GOSISDBHSA-N 323.352 1.836 0 40 DDAB C[C@]1(NC(=O)/C=C/c2ccc3c(c2)OCO3)CCS(=O)(=O)C1 37077244 RXOWFCYXOJMARN-UJAVWCLSSA-N 323.370 1.122 0 40 DDAB O=C1O[C@@H]2C[C@H]1N(C(=O)CSc1nc3ccccc3s1)C2 75162204 WAJVHPLTTKEGSS-PSASIEDQSA-N 320.395 1.915 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-n2cccc2)cc1 74889706 CJQYUXQGGMTACK-AWEZNQCLSA-N 309.369 1.970 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc2ccccc2s1 225628365 BBTOGGUGIGKYTH-LLHIFLOGSA-N 316.338 1.889 0 40 DDAB O=C(NCc1cc2n(n1)CCCO2)[C@H]1CCc2cccc(O)c21 575071200 RHTTZEZHUHBBGM-ZDUSSCGKSA-N 313.357 1.717 0 40 DDAB CCn1nc(C)cc1CNC(=O)c1cccc(-n2cnnn2)c1 226745409 NFURPYRZHKFZNE-UHFFFAOYSA-N 311.349 1.117 0 40 DDAB Cc1ccc(CCNC(=O)NCc2csc(N(C)C)n2)cn1 96447003 VUXCZCLKHMKBSP-UHFFFAOYSA-N 319.434 1.954 0 40 DDAB Cn1cc(N2CC[C@@]3(CCCN(C(=O)NC4CC4)C3)C2=O)cn1 96074087 BKZNFPVUCFXXGI-MRXNPFEDSA-N 317.393 1.111 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)Sc1nc2ncccn2n1 96501835 KQDJYGZMQDWGMV-GFCCVEGCSA-N 313.386 1.574 0 40 DDAB CCS(=O)(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187205 JPQMPMVCJUJUJM-DYEKYZERSA-N 312.391 1.042 0 40 DDAB CN(C)CC(=O)N1CCC[C@@]2(CCCN2Cc2ccncc2)C1 96071491 NUCWVGPTGHLWIH-GOSISDBHSA-N 316.449 1.600 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccn(C)n2)c2cccc(F)c2O1 330058788 ZOADTRYNCBKFPZ-SECBINFHSA-N 311.338 1.535 0 40 DDAB CCN1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2 96230162 BSWHQVSINAKMQO-UHFFFAOYSA-N 321.446 1.104 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 96227064 SJJBRNYLOHWXDP-YOEHRIQHSA-N 316.405 1.528 0 40 DDAB CCn1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)cn1 96445475 IBYNMRHAWMODRF-LHSJRXKWSA-N 305.403 1.753 0 40 DDAB Cc1nc(COC[C@H]2CC[C@H]3[C@H](CCN3C(N)=O)O2)cs1 96186770 IXFIVUPNRVDAMS-AGIUHOORSA-N 311.407 1.669 0 40 DDAB COc1ccc(CC(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OC)cc1 96041396 RPLLMMXQQHVNID-ZMSDIMECSA-N 305.374 1.643 0 40 DDAB CN(C)CCOCc1cncc2c1CCN(C[C@H]1CCOC1)C2 96189349 HBKKCBIDOQWEND-OAHLLOKOSA-N 319.449 1.554 0 40 DDAB C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)O1 97229688 IADKMMGMCJRUKV-BXUZGUMPSA-N 309.797 1.951 0 40 DDAB CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCC[C@@H]1S(C)(=O)=O 96461175 AMPLOGWNWONQNN-RYUDHWBXSA-N 316.810 1.773 0 40 DDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(CC1CCC1)CC2 96216658 ADYRGYMLCIFGCS-CQSZACIVSA-N 316.467 1.207 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CN(C2CCC2)C[C@H]2OCC[C@H]21 96038902 VVJBSLMCCOGMMW-ARFHVFGLSA-N 304.390 1.785 0 40 DDAB O=C(CO)N1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 96218162 ZCAGZDUHXLHCLU-GOSISDBHSA-N 316.401 1.553 0 40 DDAB Cc1nnc(N2CC3(C2)OCC[C@@H]3COc2cccnc2)s1 248003407 GHXLUPYWAFYIMJ-GFCCVEGCSA-N 318.402 1.916 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257275222 NOKPJQPQYBCGFL-AWEZNQCLSA-N 315.377 1.051 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCCC[C@H]1c1ccn[nH]1 257233100 GNUXTJPUBIGILA-AWEZNQCLSA-N 310.361 1.908 0 40 DDAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccnc1 257249763 JJRASTVZLKUOSQ-HUUCEWRRSA-N 304.394 1.275 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252516234 QQDLQDQLUAFBNE-WZRBSPASSA-N 317.794 1.111 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 257254777 KEQFAYSUCIIFEF-CQSZACIVSA-N 319.405 1.928 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3ncco3)n2)C1 257210338 BUEQQTMPEUSLGM-NSHDSACASA-N 322.390 1.346 0 40 DDAB COC(=O)C1=NO[C@H](CSc2nnnn2C2CCCC2)C1 299026331 JPWRVQQYMLZMQF-VIFPVBQESA-N 311.367 1.198 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1cc(C)on1)c1cccc(F)c1 96388631 PRQNYVDGARSFDY-LBPRGKRZSA-N 321.308 1.565 0 40 DDAB CC(C)n1cccc1C(=O)N1CCC(Cc2nn[nH]n2)CC1 1548803884 CHKIRQITJUEJJS-UHFFFAOYSA-N 302.382 1.677 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 75161527 ZTNIORJJKQIUEU-GFCCVEGCSA-N 303.362 1.258 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](O)C2)cc1OC 75156849 LLZHQXRRTRMANZ-OLZOCXBDSA-N 308.378 1.807 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCOC2(CCOCC2)C1 90608842 CHZNXXDMKMWCSE-UHFFFAOYSA-N 311.403 1.398 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520165 NRTDYHYIYVSCDA-QZTJIDSGSA-N 323.396 1.807 0 40 DDAB O=C(c1ccccc1Br)N1CC(n2ccnn2)C1 225693269 SIDHFICHXGYCQX-UHFFFAOYSA-N 307.151 1.738 0 40 DDAB Brc1cnn(CC2CN(c3nncs3)C2)c1 1889078092 LOINUNREZRHLQK-UHFFFAOYSA-N 300.185 1.634 0 40 DDAB Cc1cnn(CC(=O)Nc2cccc(CN3CCOCC3)c2)c1 19239957 JYGNDLWZGGHVBR-UHFFFAOYSA-N 314.389 1.662 0 40 DDAB CCN(CC)c1nc(CCn2ncc3c2CCCC3)cc(=O)[nH]1 19526511 CCNGKKHFATUVTI-UHFFFAOYSA-N 315.421 1.934 0 40 DDAB CN1CCc2c(O)nc(C3CCN(C(=O)C4CC4)CC3)nc2C1 19590725 ORWRHBJIWDWTHF-UHFFFAOYSA-N 316.405 1.286 0 40 DDAB Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](c1ccccc1)CC3=O 19819862 YDXDSBMSHROXBO-SNVBAGLBSA-N 306.325 1.813 0 40 DDAB C[C@@H]1CC[C@H](CCC(=O)N2CCC(n3cnnc3O)CC2)O1 555529560 NNRXLYDBBGULPK-DGCLKSJQSA-N 308.382 1.495 0 40 DDAB Cc1nc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)no1 1889101416 SMAKDVXPHJXMFJ-LBPRGKRZSA-N 310.423 1.165 0 40 DDAB CSc1ncccc1C(=O)N1CCCN([C@@H]2CCOC2)CC1 1848830904 WWRUXOVGKDHDIF-CYBMUJFWSA-N 321.446 1.740 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1 25301567 ZWEZKKJHCFLMNW-HNNXBMFYSA-N 312.373 1.613 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(C(=O)C3CCOCC3)C2)nc1 1776000490 JIECKRKLSJBSAN-AWEZNQCLSA-N 319.405 1.829 0 40 DDAB O=C(NCC(=O)N1CCn2nccc2C1)OCc1ccccc1 238875567 NYJYRMZUMNTIOI-UHFFFAOYSA-N 314.345 1.152 0 40 DDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@H]3C2)cn1 2056223849 HJYXZQDKRFNUME-GJZGRUSLSA-N 317.389 1.025 0 40 DDAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NC4CC4)cnc3c2c1 23125609 GSYUEUGYGSSFEK-UHFFFAOYSA-N 310.357 1.855 0 40 DDAB CCOC(=O)c1c(NC[C@H](C)O)c2cccc(C)c2[nH]c1=O 49001465 LYOKPMZFMPODSO-JTQLQIEISA-N 304.346 1.806 0 40 DDAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585386678 HATHVFCSXUAHOY-RYUDHWBXSA-N 318.760 1.098 0 40 DDAB C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)N1CCOCC1 30682597 WJSGFEJXELTXAL-CQSZACIVSA-N 314.389 1.323 0 40 DDAB COC(=O)c1c(NC(=O)c2cc3occc3n2C)c(C)nn1C 40284908 HYOPLBRAGQUAHT-UHFFFAOYSA-N 316.317 1.852 0 40 DDAB COc1ccc(CCN(C)C(=O)c2nccnc2N)cc1OC 30781306 LUKJNMVCMQRAPV-UHFFFAOYSA-N 316.361 1.391 0 40 DDAB CC[C@H]1CN(C(=O)c2nn(CC)c(=O)c3ccccc23)CCO1 30860016 YEAACXVNLXBFNR-LBPRGKRZSA-N 315.373 1.667 0 40 DDAB CCOc1ccc(C(=O)O[C@@H](C)CN2CCN(C)CC2)cc1 20266580 ORJYUGXIZORXEC-AWEZNQCLSA-N 306.406 1.878 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cc(=O)n2ccsc2n1 100893135 BCIONILMJTYNSE-PHIMTYICSA-N 315.354 1.207 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 40542748 VNRCJAZYYKPJLL-VIFPVBQESA-N 320.798 1.334 0 40 DDAB Cc1ccc(-n2cc(C(=O)NCC(C)(C)N(C)C)nn2)cc1 40523769 UYIKGSKUOICXRZ-UHFFFAOYSA-N 301.394 1.646 0 40 DDAB O=C(CN1CSCC1=O)Nc1nc(-c2cccnc2)cs1 29252725 RXJQDTJBCXRYSX-UHFFFAOYSA-N 320.399 1.677 0 40 DDAB CCOC[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 80755186 UTTZTDJTKJXBTF-GFCCVEGCSA-N 315.439 1.970 0 40 DDAB CNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 46174374 CPIXSKGNZKFSSZ-UHFFFAOYSA-N 312.322 1.142 0 40 DDAB COC(=O)CNC(=O)N1CCSC[C@@H]1c1ccc(OC)cc1 20739277 SRDMVNCHKKTBTG-CYBMUJFWSA-N 324.402 1.668 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccccc1F)CS2 7754186 QJOGVRTURVULAQ-WFASDCNBSA-N 308.378 1.896 0 40 DDAB c1cc(CN2CCC[C@H](Cn3cncn3)C2)c2c(c1)OCCO2 69630216 DLUCTKXJPQWOHI-AWEZNQCLSA-N 314.389 1.962 0 40 DDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(F)c2)C1 53202928 CQDPFEMWNBAZQN-SNVBAGLBSA-N 302.371 1.207 0 40 DDAB CN(C)CCCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl 2778169 QRYNQXSMNLNUCI-UHFFFAOYSA-N 312.723 1.774 0 40 DDAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C=O)CC1 20105979 XHNMFVMMBPXETM-CQSZACIVSA-N 310.781 1.798 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)Cn1ccc(C(F)(F)F)n1 42501871 GQKYZRJXZLEOAS-VIFPVBQESA-N 301.272 1.303 0 40 DDAB CC[C@](C)(CNC(=O)Nc1cc(C)nn1C)N1CCOCC1 43432972 PWODPALUAKFALZ-OAHLLOKOSA-N 309.414 1.351 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 106748243 KWFPQWQDXMKDKW-IGJVIKARSA-N 303.406 1.870 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(F)c(C(N)=O)c1 25145645 JZDNFRLKVVWSSN-SCZZXKLOSA-N 307.325 1.025 0 40 DDAB O=C(O)CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O 1472480 JVBFYIXBOLXBJC-MDZDMXLPSA-N 304.283 1.130 0 40 DDAB Cc1ccc(N2C(=O)N([C@H](C)C(=O)NC3CC3)C(=O)[C@@H]2C)cc1 12587982 WNJFBPIWTHIVOX-NEPJUHHUSA-N 315.373 1.819 0 40 DDAB COC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 44411936 ABCXJTADTLJXSM-YPMHNXCESA-N 304.302 1.418 0 40 DDAB CCOC(=O)C1CCN(Cc2nc(N)c3ccccc3n2)CC1 27342824 ZZLZWPRPQQYGQX-UHFFFAOYSA-N 314.389 1.987 0 40 DDAB C[C@H]1CN(C)CCN1CC(=O)Nc1ccnn1C1CCCC1 89939123 AOSONGWRSIMERN-ZDUSSCGKSA-N 305.426 1.573 0 40 DDAB Cc1n[nH]cc1NC(=O)CCn1cnc2c(C)cccc2c1=O 58063385 IPBVLTDSLGMAGI-UHFFFAOYSA-N 311.345 1.765 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@](=O)Cc2ccccc2)C1 89954625 MIHDFGPIPJMYJW-NYHFZMIOSA-N 322.430 1.062 0 40 DDAB NC(=O)[C@H]1CN(C(=O)c2cc(Cl)ccn2)c2ccccc2O1 10025060 CTACDFDBKDEDQN-CYBMUJFWSA-N 317.732 1.628 0 40 DDAB CC(=O)N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 58132971 HNVKCAUDQUKWRU-UHFFFAOYSA-N 313.361 1.568 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)N1CCN(c2ncccn2)CC1 44914859 JWAPQAMIOCWMNJ-CYBMUJFWSA-N 315.377 1.532 0 40 DDAB O=C(NCCNc1cnccn1)c1ccc2c(c1)OCCCO2 44915311 MLAWVMXTOHYRSS-UHFFFAOYSA-N 314.345 1.480 0 40 DDAB CC(=O)NCCCNC(=O)Nc1cccc(-c2noc(C)n2)c1 58381274 IFSHHWPMVMAPJY-UHFFFAOYSA-N 317.349 1.693 0 40 DDAB O=C(CCCNS(=O)(=O)c1ccccc1)NCc1ccco1 3622248 OIVLQEDEXIKQBZ-UHFFFAOYSA-N 322.386 1.655 0 40 DDAB CCn1nc(C)cc1C(=O)N[C@@H](Cn1cncn1)c1ccccc1 69809989 IRUWRQNZTNZNOK-HNNXBMFYSA-N 324.388 1.974 0 40 DDAB CNC(=O)NC(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1 6141649 DTYKGGGJZOWERW-UHFFFAOYSA-N 321.362 1.028 0 40 DDAB CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C(C)C)C2)no1 65415437 NUDKIKUYXSHMRJ-NSHDSACASA-N 322.409 1.630 0 40 DDAB Cc1ccc(CSCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 6546604 YCTOAQRJADICLR-ZDUSSCGKSA-N 313.444 1.532 0 40 DDAB CCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4704324 IUBHCITXDPLPJG-AWEZNQCLSA-N 320.389 1.193 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2c2ncnc3c2cnn3C)n1 69454319 OJFKXAUAENEFQL-LBPRGKRZSA-N 312.381 1.241 0 40 DDAB COCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2s1 17122435 NMQRPLLPCCJHRC-UHFFFAOYSA-N 317.370 1.594 0 40 DDAB COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976136 FGKGVVCPYIBAGL-GXTWGEPZSA-N 322.380 1.368 0 40 DDAB Cc1csc(=O)n1CCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 77989961 TWINLVYYRGCKSW-NSHDSACASA-N 324.324 1.134 0 40 DDAB CC(C)c1noc(CCNC(=O)N(C)C[C@H]2CCCC[C@@H]2O)n1 97049366 YMLYUAHTWOPWLZ-OLZOCXBDSA-N 324.425 1.928 0 40 DDAB Cc1ccc2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c(=O)n2c1 71823510 WAYAHLIKOVSWPA-UONOGXRCSA-N 313.357 1.396 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)CC3(O)CCCCC3)C2)no1 71876926 UBXCWMDPFAXJFP-HNNXBMFYSA-N 322.453 1.969 0 40 DDAB Cc1cc(C)c(C)c(SCC(=O)N2CCNC(=O)C2)c1C 71892835 ANZDFYQFGWGLKZ-UHFFFAOYSA-N 306.431 1.971 0 40 DDAB C[C@H](O)CN1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 71877413 VLVHOROQBPKAHV-HOTGVXAUSA-N 319.449 1.032 0 40 DDAB O=C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCN1 71839469 LUNQOSSRJZBXBD-ZBFHGGJFSA-N 302.374 1.503 0 40 DDAB Cc1cc(C)n(CCOC(=O)[C@H]2CC(=O)N(CC3CC3)C2)n1 71803588 QBUMOZGULSMDOT-AWEZNQCLSA-N 305.378 1.302 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1OC 19962519 JLRHGOPPXGCVCK-LLVKDONJSA-N 316.317 1.587 0 40 DDAB CN1CCN(CCCNC(=O)CCSc2ccccc2)CC1 22934834 QDKSXAJGDYBCPL-UHFFFAOYSA-N 321.490 1.923 0 40 DDAB O=C(Nc1cnn(-c2ncccn2)c1)[C@H]1Cc2ccccc2O1 72291552 MTSDQJVGNFUAHN-CQSZACIVSA-N 307.313 1.605 0 40 DDAB Cc1nnc(CN(C)[C@@H]2CCN(CCOCC3CC3)C2)n1C 84291198 CEDNHDGMUOSUCG-OAHLLOKOSA-N 307.442 1.056 0 40 DDAB CN(C)c1ncc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)s1 84317573 ZFQWCFXQCPNKQA-SMDDNHRTSA-N 321.450 1.810 0 40 DDAB CCc1nc(CN(C)[C@@H]2CCN(C[C@@H]3CCCCO3)C2)no1 78891464 LEVSKQWJMBQDQL-KGLIPLIRSA-N 308.426 1.707 0 40 DDAB CN1CCC(OCCCNc2ncnc3c2CCNCC3)CC1 72462952 DGBCHUPANYHWAI-UHFFFAOYSA-N 319.453 1.078 0 40 DDAB CCN(C)c1ccccc1CNC(=O)COCc1nc(C)no1 95397183 WBXSSUGCMBSIIN-UHFFFAOYSA-N 318.377 1.667 0 40 DDAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccccc2F)n1 21596176 ZGAMTVUGMSTKPR-UHFFFAOYSA-N 322.369 1.595 0 40 DDAB CCOC(=O)[C@](C)(O)CNC(=O)c1cc(F)c(C)cc1F 95942040 ZCRLCTWCLTTWFC-CQSZACIVSA-N 301.289 1.317 0 40 DDAB CCOCCOc1ccc(S(=O)(=O)N[C@H](CC)CO)cc1 95986805 BNYFJFBWJQPHST-GFCCVEGCSA-N 317.407 1.151 0 40 DDAB CN1C[C@@H](C(=O)N2CCC(COC3CCCC3)CC2)CC1=O 95949498 QDRFJXNZAYSUFL-AWEZNQCLSA-N 308.422 1.663 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cn1 75130738 SXIAAWLRRVPGNY-CABCVRRESA-N 302.422 1.846 0 40 DDAB COC[C@@](C)(O)C(=O)N1CCC[C@@H](n2cnc3ccccc32)C1 86583631 ZKLCKDLAYDAMFJ-CXAGYDPISA-N 317.389 1.597 0 40 DDAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(C=O)CC1 22514038 QEZQHMJMRCWYPE-HNNXBMFYSA-N 304.390 1.761 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NC(=O)CC[C@@H]1CCCO1)CC2 65475820 ANUAOHLDAWOJDW-STQMWFEESA-N 306.410 1.792 0 40 DDAB O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCNCC1 38478376 UGAYGSJRKGXOEM-CHWSQXEVSA-N 309.207 1.984 0 40 DDAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCC[C@H](n2ccnn2)C1 514865792 CCKYRPLWWABLIT-UONOGXRCSA-N 304.325 1.880 0 40 DDAB Cc1nnc(CN2CCC[C@H]2c2ccc(O)nn2)n1C1CC1 528795170 RVZXMVKNXUKSRM-ZDUSSCGKSA-N 300.366 1.754 0 40 DDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)[C@H]4CCCO4)C[C@]3(C)C2)n1 1052162887 CPWQQUCSJYOTGK-JJRVBVJISA-N 316.405 1.249 0 40 DDAB Cn1ccnc1CN1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 72322067 VDOSBLWQTXFPQO-HNNXBMFYSA-N 324.388 1.779 0 40 DDAB biogenic,in-vitro O=C(O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 72238906 HHTLQHIOSBVDEV-UHFFFAOYSA-N 324.336 1.491 0 40 DDAB CCCn1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1 184044386 SPRPLSDTQVIMMW-LLVKDONJSA-N 305.382 1.426 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1cc(-n2cccc2)ccc1F 77679335 CLFJXKCJWANHTR-LLVKDONJSA-N 319.336 1.442 0 40 DDAB COC(=O)[C@@H](SC)Sc1nc2ccsc2c(=O)n1C 521394553 XDMGKXBJSDEWLE-JTQLQIEISA-N 316.429 1.949 0 40 DDAB CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN 79391117 PHJOMBZUSXIMBD-CYBMUJFWSA-N 313.442 1.829 0 40 DDAB CC(C)[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225192482 SVVKDVRPJUEMAP-NSHDSACASA-N 316.398 1.752 0 40 DDAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223597097 AGTIURRRIMFQDY-GJZGRUSLSA-N 316.430 1.868 0 40 DDAB O=C(COc1cccc2c1NC(=O)CC2)NCCc1ccco1 227167415 ACOWIMMIAHPKHR-UHFFFAOYSA-N 314.341 1.902 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2csc(C)n2)C1 225806113 AVXYPGSZJLVBOO-JTQLQIEISA-N 320.374 1.544 0 40 DDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cccnc1 227161548 XADIKAPKKNUBSN-UHFFFAOYSA-N 305.315 1.625 0 40 DDAB CCO[C@@H]1C[C@](O)(CNc2cnn(C)c(=O)c2Cl)C1(C)C 225592811 CCJGASHASROODR-YGRLFVJLSA-N 315.801 1.412 0 40 DDAB CNc1ncc2c(n1)CN(CCc1ccc3c(c1)OCO3)C2=O 46087085 IAWMRWODBOOQKF-UHFFFAOYSA-N 312.329 1.446 0 40 DDAB Cc1cnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)s1 225513602 YPWVGQOZJXAGOO-UHFFFAOYSA-N 318.402 1.993 0 40 DDAB COC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958057 BDEAJTAFBUNTAS-LBPRGKRZSA-N 304.346 1.049 0 40 DDAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N(C)C)cc1 96193998 PQNAZJUNUBKFAA-ZDUSSCGKSA-N 305.403 1.576 0 40 DDAB O=C(NCc1cccnc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200451 SPVBTHJPGUSTBG-HOTGVXAUSA-N 312.373 1.364 0 40 DDAB COCCN1CCC2(CCN(Cc3ccncc3)CC2)C1=O 96157762 BBIFSWCNDBPSFJ-UHFFFAOYSA-N 303.406 1.543 0 40 DDAB COC[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 96420864 ZBLCRKVADMRZGK-IAGOWNOFSA-N 318.417 1.382 0 40 DDAB CCCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192175 LSZSMFWTQKUUFG-CYBMUJFWSA-N 306.410 1.808 0 40 DDAB CN(C)c1ncc(NC(=O)N2CCC(n3cccn3)CC2)cn1 96483758 FETUXSIQOVPMTN-UHFFFAOYSA-N 315.381 1.608 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCCn1cccc1)CC2 97100770 HKIUWFIFZBNCAF-LSDHHAIUSA-N 321.421 1.450 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccon3)OCC(=O)N2C)cc1 96181549 QGJJLNUFCPGEHR-HUUCEWRRSA-N 315.329 1.520 0 40 DDAB O=C(CCN1CCO[C@@H](c2nccs2)C1)NC1CCCC1 97200043 LTCQAFDLCFDYKE-CYBMUJFWSA-N 309.435 1.965 0 40 DDAB O=C(NC1CC1)[C@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 96041170 HJPZKXPRORVHEU-OKZBNKHCSA-N 314.429 1.845 0 40 DDAB CCOC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)C1CC1)C2 96056868 HWOJBRVLMYQCIR-ZIAGYGMSSA-N 303.424 1.386 0 40 DDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)C(C)(C)C 96473494 WROYXECPICXONL-GHMZBOCLSA-N 309.414 1.993 0 40 DDAB O=C(NCCc1ccc(O)cc1)[C@@H](c1ccccc1)n1cnnn1 95473413 VBYKAPAEQOTPJH-MRXNPFEDSA-N 323.356 1.327 0 40 DDAB COCCNC(=O)[C@H]1CC[C@H](C)N(c2ncc(Cl)cn2)C1 95406779 LUKDMNMBHSIHJA-QWRGUYRKSA-N 312.801 1.498 0 40 DDAB CC(C)(C)OC(=O)N1Cc2c(-c3ccoc3)nnn2C[C@H]1CO 96060904 DBSSCBGCHHPXCN-NSHDSACASA-N 320.349 1.650 0 40 DDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN([C@@H]1CCOC1)CC2 96069803 PCUQNZOMERBBOM-CVEARBPZSA-N 315.417 1.651 0 40 DDAB CS(=O)(=O)NCC[C@H]1CN(C2CCCC2)Cc2cncn21 247510795 IJILFHUEUJNLEQ-ZDUSSCGKSA-N 312.439 1.122 0 40 DDAB CN1CCN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1c1ccccc1 248137966 PFSLSBZUTNDKOE-CQSZACIVSA-N 320.418 1.098 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1ccc(OC)cc1)C2 248103560 FJNPWLVCPWRDCA-AWEZNQCLSA-N 318.417 1.878 0 40 DDAB COCC[C@H]1CN(Cc2cccnc2OC)Cc2ccnn21 247886467 RXGWCNSIJJDHQC-HNNXBMFYSA-N 302.378 1.880 0 40 DDAB Cc1noc(-c2cncnc2N2CCC3(CC2)OCCO3)n1 253403892 QPWOFRGJSRXQOT-UHFFFAOYSA-N 303.322 1.178 0 40 DDAB Cc1cc(C)nc(N2CCO[C@H](CCc3ccnc(N)c3)C2)n1 257228137 FSLWSEHUSIFPAA-OAHLLOKOSA-N 313.405 1.909 0 40 DDAB CO[C@@H]1CCCOC12CCN(C1CCN(C(C)=O)CC1)CC2 257234122 GSFPLGWKMCHOLC-MRXNPFEDSA-N 310.438 1.657 0 40 DDAB CN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CC[C@@H](O)[C@@H]1O 257240443 HTNFZSVOEYFEMV-JFIYKMOQSA-N 319.401 1.287 0 40 DDAB c1cnc(N2CCC3(CCO[C@@H]3Cc3cncnc3)CC2)nc1 257209468 BQMVRMIBKIZPQE-OAHLLOKOSA-N 311.389 1.885 0 40 DDAB CN1CCC[C@H](Cc2nccnc2N2CCC(O)CC2)CC1 257339450 ZBUPGVPIDQBZCB-AWEZNQCLSA-N 304.438 1.712 0 40 DDAB COc1nc(OC)nc(N2CCC[C@H](c3cncc(C)n3)C2)n1 257341925 ZMLUFPSCCKSCOZ-NSHDSACASA-N 316.365 1.371 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cc(C)on2)c1 257232424 GKUCTGCYPJRVIB-INIZCTEOSA-N 314.389 1.489 0 40 DDAB CC(C)c1ccc(O)c(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)c1 257218418 DDBNDKDCNZXFOL-FVQBIDKESA-N 307.390 1.862 0 40 DDAB Cn1ccnc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257320073 VVGJFBLAHRMZJH-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB CC(=O)N1CCC(c2ccnc3c(C(=O)N(C)C)cnn23)CC1 257229446 FYEBDZOLGDQPDQ-UHFFFAOYSA-N 315.377 1.157 0 40 DDAB Nc1cc(CC[C@H]2CN(CC3(O)CCCCC3)CCO2)ccn1 257317216 VIVSGGIHOOIGNC-INIZCTEOSA-N 319.449 1.992 0 40 DDAB CSc1ncccc1C(=O)N1CC[C@H](Oc2ncccn2)C1 575604734 ADRVHQUIMACBAD-NSHDSACASA-N 316.386 1.887 0 40 DDAB CCc1cc2c(N[C@@H]3C[C@@H](C(=O)O)C[C@H]3O)ncnc2s1 662895835 HNLRRBMRKSTVJN-AVPPRXQKSA-N 307.375 1.890 0 40 DDAB C[C@H](c1nc(-c2ccncc2)n[nH]1)n1cc(C(=O)O)ccc1=O 585261614 AVDPGIKYDIBRIZ-SECBINFHSA-N 311.301 1.336 0 40 DDAB CCOC[C@@H]1CCN(C)C2(C1)CN(Cc1cc(C)nn1C)C2 585103096 PVIQMFYLMAZZJI-OAHLLOKOSA-N 306.454 1.661 0 40 DDAB Cn1cc(CN2Cc3cccn3C[C@H](Oc3ncccn3)C2)cn1 585112699 TVEDBYOAZUMLHW-MRXNPFEDSA-N 324.388 1.475 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccco2)CC1 44908432 UKXGYIHOEHTJJC-UHFFFAOYSA-N 300.362 1.838 0 40 DDAB Cc1cc(Br)ccc1SCC(=O)NCCO 35100980 QMONBKJAGUATSU-UHFFFAOYSA-N 304.209 1.958 0 40 DDAB COc1c(CNCCC(=O)NC2CCCCC2)c(C)nn1C 58296388 KNSMAIGQHIGJNY-UHFFFAOYSA-N 308.426 1.666 0 40 DDAB COCC(=O)N(CC(=O)N1CCCCC1)c1cccc(C)c1 69666104 IWCQGHJZXIHQGU-UHFFFAOYSA-N 304.390 1.987 0 40 DDAB CCO[C@H](CC)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69973865 MLPORWJMUNABPC-IAGOWNOFSA-N 320.433 1.679 0 40 DDAB O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCOCC1 73891388 XCJWCQJTMGFPJQ-MRXNPFEDSA-N 303.406 1.865 0 40 DDAB O=C(NCC1CCN(c2ccncc2)CC1)NC[C@H]1CCCO1 92853456 KAMCEBDURGOHDZ-MRXNPFEDSA-N 318.421 1.776 0 40 DDAB COC(=O)c1ccc(=O)n(Cc2nc3ccccc3s2)n1 83895694 JNIAZTMHZFXLFE-UHFFFAOYSA-N 301.327 1.688 0 40 DDAB CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1N(C)C 89314142 XMFQMSUTMWVHOY-STQMWFEESA-N 318.439 1.492 0 40 DDAB O=C(O)C[C@H]1CN(S(=O)(=O)CC2CCCCC2)CCO1 91294018 GQLYESHAJFICOO-LBPRGKRZSA-N 305.396 1.072 0 40 DDAB C[C@H](CO)NC(=O)Nc1ccc(I)cc1 38304958 OPQUGGDKGZHCKN-SSDOTTSWSA-N 320.130 1.794 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 5565218 JZKAEUGBDSBGSH-CRWXNKLISA-N 303.314 1.678 0 40 DDAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)C)CC2)c1 19867738 NKUJDWKJNCWHNC-UHFFFAOYSA-N 324.446 1.625 0 40 DDAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc2nccnc2c1 244970235 HORBSGJBOJTOOW-WQVCFCJDSA-N 313.357 1.696 0 40 DDAB CNC(=O)C1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 555835175 UANLINYLFPGXNC-CYBMUJFWSA-N 302.374 1.407 0 40 DDAB Cc1cc(C)n(CCC(=O)Nc2nc(CC(=O)O)cs2)n1 37433703 BEMOBCOYMABNGZ-UHFFFAOYSA-N 308.363 1.612 0 40 DDAB Cc1cc(S(=O)(=O)NCC[C@@H](C)N)ccc1OC(C)C 63171272 HUTHEHXVXLRUPZ-GFCCVEGCSA-N 300.424 1.798 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccccc1F 86393 WBXHDLZCHODMGR-CQSZACIVSA-N 322.336 1.721 0 40 DDAB O=C(N[C@@H](Cc1ccccc1C(=O)O)C(=O)O)c1ccccc1 148701054 ZIONPGLGITVPNO-AWEZNQCLSA-N 313.309 1.811 0 40 DDAB CC(=O)N1CCN(C(=O)CCCc2nc(C(C)C)no2)CC1 40529525 BBSBPLLFQDOLEO-UHFFFAOYSA-N 308.382 1.206 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)CN3CCCC3=O)cn2)n1 40514127 JRTFEWKJMWBPGN-UHFFFAOYSA-N 313.361 1.445 0 40 DDAB CCN1CCN(Cc2cc(=O)oc3cc(C)c(O)cc23)CC1 20519410 JVERLMULCCJCBX-UHFFFAOYSA-N 302.374 1.945 0 40 DDAB COc1cc(OC)c2cc(C(=O)NCCC(=O)O)n(C)c2c1 11867339 IRLWFAZRUFGKDP-UHFFFAOYSA-N 306.318 1.400 0 40 DDAB CCOC(=O)N1CCN(CN2C(=O)c3ccccc3C2=O)CC1 20613961 ZMMDNJHUODCPMH-UHFFFAOYSA-N 317.345 1.014 0 40 DDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccn1 1441658 KDTPCMWLLSNKGH-ZDUSSCGKSA-N 318.358 1.112 0 40 DDAB CC[C@H](C)Oc1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 51643789 AEPNVUTZFCVVKA-FZMZJTMJSA-N 321.377 1.582 0 40 DDAB CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(OC)n2)C1 4967441 FNWVYHYOJUGYRN-AAEUAGOBSA-N 306.410 1.925 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102232892 YAVRKBRPBBRBBO-YIKMNZTOSA-N 306.343 1.308 0 40 DDAB C[C@@H](CCc1ccccc1)CC(=O)N[C@@]1(C(N)=O)CCCOC1 89895694 XKNSPNWAKOVGMQ-KSSFIOAISA-N 318.417 1.796 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7928269 WLSYOGCFCXDPBH-NEPJUHHUSA-N 322.792 1.988 0 40 DDAB OCCC1(NCc2cnn(-c3ccccc3)c2)CCOCC1 89857580 MKEOTPVSRWUXBV-UHFFFAOYSA-N 301.390 1.894 0 40 DDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CC[C@H](C(N)=O)C1 41132513 KEJLPQWUIZYGQZ-NSHDSACASA-N 304.394 1.463 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 41129406 XBPMEUWZCWBVKW-CYBMUJFWSA-N 313.357 1.608 0 40 DDAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc12 488953 LTQDSTMTYWKRKA-VIFPVBQESA-N 319.313 1.324 0 40 DDAB biogenic CC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24909315 DKMUNQGICYHCBH-JTQLQIEISA-N 304.346 1.683 0 40 DDAB CC(=O)NCCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 52958068 YQLYQMUOSGLGGK-UHFFFAOYSA-N 324.808 1.641 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(-n2cccn2)nc1 41867979 VWQHXMBQWIFIDG-UHFFFAOYSA-N 310.361 1.548 0 40 DDAB COc1cccc(N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)c1 53508577 JNSRAEGEZBPLIX-INIZCTEOSA-N 319.405 1.706 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1c[nH]cn1 12323691 ADKSFDZECDHHFB-UHFFFAOYSA-N 301.375 1.938 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCc2ccccc21 42242030 QFVIPJHZZKQXAF-ZFWWWQNUSA-N 315.417 1.552 0 40 DDAB Cc1cc(C)c(S(=O)(=O)Nc2ccn(C)n2)cc1C(=O)O 37560120 MKGJFBSXQLHJGB-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccs2)C1 57318840 DFCRTRTVZDMPAW-NEPJUHHUSA-N 310.419 1.751 0 40 DDAB O=c1c(NCc2ccncc2)c(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1=O 101700474 ZTGFOBMIDLIUFS-RDBSUJKOSA-N 309.369 1.914 0 40 DDAB N[C@@H](CCC(=O)NC(=O)c1ccc2ccccc2c1)C(=O)O 20231643 GJMSSCQMFSUWJD-ZDUSSCGKSA-N 300.314 1.288 0 40 DDAB Cc1ccc(C23NC(=O)NC2(c2ccc(C)cc2)NC(=O)N3)cc1 3220576 UTALSOMHWSQODY-UHFFFAOYSA-N 322.368 1.935 0 40 DDAB CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cc(C)nn1CC)CCO2 106912924 AECIZIOIJMGQRG-YUELXQCFSA-N 307.394 1.620 0 40 DDAB CC(=O)c1csc(C(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)c1 108142908 PMUDCZFIZPKPSX-UONOGXRCSA-N 322.430 1.934 0 40 DDAB CC[C@](C)(c1nnnn1-c1cccc(C)c1)N1CCOCC1 35622126 DCKKSWJGZXWJSV-MRXNPFEDSA-N 301.394 1.928 0 40 DDAB Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)o1 3319381 YHUWMOCQZVYGGG-UHFFFAOYSA-N 307.331 1.515 0 40 DDAB O=C(NCCNC(=O)c1ccc(F)cc1F)Nc1cn[nH]c1 58191111 ILMQVOJQHVXNHU-UHFFFAOYSA-N 309.276 1.239 0 40 DDAB NC(=O)NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 3301200 CPEWSGFXWAPJNX-ZZXKWVIFSA-N 314.244 1.039 0 40 DDAB COc1cc(C(=O)OCCn2cccn2)cc(OC)c1OC 58161678 XAWWEZVOUSYMKU-UHFFFAOYSA-N 306.318 1.766 0 40 DDAB COC(=O)c1ccc(CNC(=O)CN2C[C@H](C)OC[C@@H]2C)cc1 27640344 OGDWGLWAFUXIJF-STQMWFEESA-N 320.389 1.199 0 40 DDAB Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)O)c(=O)c2ccccc21 2133074 ZNXKQDPGHAYKBF-HNNXBMFYSA-N 324.336 1.569 0 40 DDAB biogenic CCN(CC)c1ccc(CNC(=O)c2cnn(C)c2C)cn1 44952589 UTVBSLPXJVYSPJ-UHFFFAOYSA-N 301.394 1.900 0 40 DDAB NS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 44978322 OMUIDCNIRWVPSK-UHFFFAOYSA-N 301.327 1.238 0 40 DDAB in-vitro Cc1cc(N2CCC(N3CCNC3=O)CC2)nc(C(C)C)n1 58404168 VOGNLIJHMJTRNX-UHFFFAOYSA-N 303.410 1.902 0 40 DDAB CN1N=C(C(=O)NCc2coc(-c3cccs3)n2)CCC1=O 10882281 YRZUBJCFWPNPDN-UHFFFAOYSA-N 318.358 1.628 0 40 DDAB CCN(Cc1ccc(OC)cc1)C(=O)Cn1ccccc1=O 45398213 UMYINUBTNZLQEG-UHFFFAOYSA-N 300.358 1.906 0 40 DDAB COCCOc1ncccc1CNC(=O)c1cc(C2CC2)[nH]n1 48375481 ZEXUOEJAWRYVFH-UHFFFAOYSA-N 316.361 1.637 0 40 DDAB COC(=O)c1cc(NCC(=O)NCC(F)(F)F)ccc1F 12945754 SJSIPFCWQNVBSG-UHFFFAOYSA-N 308.231 1.703 0 40 DDAB CCCCS(=O)(=O)NCCc1ccc(OC)c(OC)c1 8394120 KUXQYQHSVCPXIE-UHFFFAOYSA-N 301.408 1.966 0 40 DDAB Fc1ccc(-c2nnc(CN[C@H]3CCc4ncnn4C3)o2)cc1 69849099 NIZZGVWGLMYJFL-LBPRGKRZSA-N 314.324 1.572 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nncn2C)c1C 5126557 DCTQJHGOFFIPBO-SECBINFHSA-N 322.390 1.910 0 40 DDAB CCOCCO[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C 69527442 JACORYVGLWJOGL-KGLIPLIRSA-N 314.426 1.335 0 40 DDAB CCc1nc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)sc1C 69517682 ANNGFPOYXQYAHB-NSHDSACASA-N 321.446 1.684 0 40 DDAB C[C@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1 69652244 LSMHNCXQACBSGV-LBPRGKRZSA-N 321.450 1.042 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cncn1 69665116 NTPZGADNEZSDNI-WDEREUQCSA-N 306.395 1.226 0 40 DDAB Cn1ccn2ncc(C(=O)NC[C@@H]3OCCc4ccccc43)c12 65530895 KEUVQINFBBMXBH-HNNXBMFYSA-N 310.357 1.717 0 40 DDAB O=C(Cn1cnnn1)Nc1nc(-c2cc(F)ccc2F)cs1 14139311 JGCXTSJAIJKIAV-UHFFFAOYSA-N 322.300 1.714 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)c2ccccc2O1 69981905 DEPISSIZHUXHBI-VIFPVBQESA-N 322.342 1.689 0 40 DDAB Cc1c(Br)c(=O)n(C2CCCCC2)c(=O)n1N 164287460 XABVXGUWNDHGQF-UHFFFAOYSA-N 302.172 1.300 0 40 DDAB C[C@@H]1CCCCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 7525296 XHNLDNJUGQBZCG-GFCCVEGCSA-N 310.419 1.903 0 40 DDAB Cc1cnc([C@H](C)CNC(=O)NCCc2cnn(C)c2)s1 96013789 UCQNBAZFVUNIPU-SNVBAGLBSA-N 307.423 1.830 0 40 DDAB COc1ccc(CC(=O)N[C@H]2CN(c3ccccc3)C2=O)cc1 96006998 NLORQZQXOVVLBE-INIZCTEOSA-N 310.353 1.769 0 40 DDAB Cc1cc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)no1 9498778 NCWBSKLAUVAOEA-UHFFFAOYSA-N 317.345 1.825 0 40 DDAB CN(C)c1nc(CNC(=O)NCCc2cccc(O)c2)cs1 96447338 BORJNJAHMMVYDS-UHFFFAOYSA-N 320.418 1.957 0 40 DDAB CCCCCC[C@@H](C)NC(=O)CSc1nc(N)cc(=O)[nH]1 9512603 FNFYNGLYOQBBKR-SNVBAGLBSA-N 312.439 1.919 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc12 71819738 XHMNUGSYTXUDGM-CYBMUJFWSA-N 309.329 1.223 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)Cc1cn3ccccc3n1)C2 71864903 LFTDBGCKOHGFBV-UHFFFAOYSA-N 324.388 1.634 0 40 DDAB CCOc1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 71841663 JXCVFUGQGUTGIN-CYBMUJFWSA-N 318.377 1.110 0 40 DDAB Cc1nnc(O)c(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)c1C 71818691 VACHTOSYTXWPEM-GFCCVEGCSA-N 314.345 1.295 0 40 DDAB CCOC(=O)c1nc2ccccn2c1NC(=O)[C@H]1CCCO1 96556736 TYWNDYRVQLSNKO-SNVBAGLBSA-N 303.318 1.629 0 40 DDAB c1nc(N2CCO[C@@H](Cn3cncn3)C2)c2ccsc2n1 72276516 AGYAZAUSRMUTFH-SNVBAGLBSA-N 302.363 1.188 0 40 DDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282875 YOFWHWVCBZOKBF-VXGBXAGGSA-N 313.423 1.329 0 40 DDAB O=C(NCCCc1nc2ccccc2[nH]1)C(=O)Nc1cccnc1 72291082 KBLHSHMBUVVULX-UHFFFAOYSA-N 323.356 1.645 0 40 DDAB O=C(c1cnc(C2CC2)s1)N1CCN([C@H]2CCC[C@H]2O)CC1 75606463 BAAIPNRSZHQVEU-QWHCGFSZSA-N 321.446 1.692 0 40 DDAB C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1N(C)C 76050410 MGOSJDPRFXJCKI-AAEUAGOBSA-N 306.410 1.678 0 40 DDAB CCOC[C@@H](O)CN1CCCN(Cc2ccccc2)C[C@@H]1C 76020114 KIIGSCWRMICHGY-WMZOPIPTSA-N 306.450 1.980 0 40 DDAB COc1cc(NC(=O)Cc2ccc(-n3cccn3)cc2)ncn1 95436545 OOSFFYVQQVLJQJ-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CC1(C)CN=C(N2CCN(CCN3CCCC3=O)CC2)S1 78969362 YSVQZMKOKOCKOI-UHFFFAOYSA-N 310.467 1.108 0 40 DDAB O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCO1 79013519 YTWISKLFHSRSIK-GFCCVEGCSA-N 308.344 1.946 0 40 DDAB Cc1nnsc1-c1nn2c(-c3snnc3C)nnc2s1 79493575 VUPYGCLXWMAEAD-UHFFFAOYSA-N 322.404 1.840 0 40 DDAB COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1 89466103 PGXRNEHUQTZEAO-ZDUSSCGKSA-N 300.314 1.516 0 40 DDAB CC(C)COc1ncccc1C(=O)NCCc1nncn1C 75137450 AEVANAXEAXEJQY-UHFFFAOYSA-N 303.366 1.217 0 40 DDAB Cc1cc(C)c(CNC(=O)NCc2ccc(C)n2C)c(=O)[nH]1 75111054 ZRNBVJXPHUSNHB-UHFFFAOYSA-N 302.378 1.638 0 40 DDAB O=C(NC[C@@H]1CCCOC1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123149 AMHUBXMFADOWSG-QMMMGPOBSA-N 319.283 1.942 0 40 DDAB CC(C)N1CCCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551527198 VAZOOPFUTVJTNE-IAGOWNOFSA-N 316.449 1.737 0 40 DDAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@H](O)C1CCC1 516393074 GTERHZKQKDSCNM-CYBMUJFWSA-N 304.325 1.388 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(CO)CO 218375319 SICUHXXZRZUCOH-VXGBXAGGSA-N 304.795 1.212 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F 71280943 OWISLOOEQCSIFW-GHMZBOCLSA-N 319.296 1.097 0 40 DDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccsc1 56906447 WAJHYRRPPLMUGZ-CYBMUJFWSA-N 322.361 1.353 0 40 DDAB c1cc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccn1 503731155 WJZCSFWLMAHCAB-CVEARBPZSA-N 311.389 1.209 0 40 DDAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCCOC 222748069 RNORCHGQRQKGFJ-CQSZACIVSA-N 306.406 1.966 0 40 DDAB Cc1cc(S(=O)(=O)NCCn2ccnc2)sc1Cl 191843165 FAQVENDXURAANB-UHFFFAOYSA-N 305.812 1.885 0 40 DDAB CCC(=O)NS(=O)(=O)c1cc(Br)ccc1C 193506378 XKFHCAMSOHVYFA-UHFFFAOYSA-N 306.181 1.972 0 40 DDAB CCC(=O)Cn1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1 96409201 JAZFLNLLZSGVNI-CQSZACIVSA-N 315.377 1.779 0 40 DDAB CCOC[C@@H]1c2c(cnn2C)CCN1Cc1cccnc1OC 96197739 JFNURUVOPROUNZ-OAHLLOKOSA-N 316.405 1.960 0 40 DDAB COCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96200812 GUHRCOKTCVSQAC-SJORKVTESA-N 318.417 1.177 0 40 DDAB c1cn2c(n1)CN(C1CCOCC1)C[C@H](COCC1CC1)C2 96187924 BAAOLYBPMHDMGP-OAHLLOKOSA-N 305.422 1.921 0 40 DDAB Cc1cc(NCC(C)(C)N2CCS(=O)CC2)nc(C2CC2)n1 96429551 BOEMJAFLUGOBTH-UHFFFAOYSA-N 322.478 1.917 0 40 DDAB Cc1cncc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)c1 96063896 ZMYNWGXQVBVASU-JKSUJKDBSA-N 322.368 1.805 0 40 DDAB Cc1cccc(CN2C[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3C2=O)c1 96245284 AIVIWPHQNQLCNT-ROUUACIJSA-N 324.428 1.819 0 40 DDAB C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](c2ccco2)C1 96441274 DPTTXSZVJJYBTL-NEPJUHHUSA-N 317.345 1.129 0 40 DDAB CN(C)CCNC(=O)C1CCN(C(=O)C2=CCCCC2)CC1 97103934 RVFVWMIDIQLPGT-UHFFFAOYSA-N 307.438 1.403 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 96042914 DYUGIRMMEJDMRT-RWMBFGLXSA-N 309.435 1.519 0 40 DDAB CN(C)C(=O)[C@@H]1C[C@@]2(CCCN(Cc3cccnc3)C2)CO1 96224830 VOEISBSNJWYAIQ-DOTOQJQBSA-N 303.406 1.541 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccncc2)C1 95864742 WICUPPYAMZXFKJ-OLZOCXBDSA-N 321.377 1.806 0 40 DDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(CC1CC1)CC2 96061535 DCXRLJRWBDOYCJ-OAHLLOKOSA-N 302.422 1.610 0 40 DDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@H]23)n1 96215490 ITLYVPCWDHOHRX-YRGRVCCFSA-N 317.345 1.609 0 40 DDAB CN(C[C@H](O)C(F)(F)F)C(=O)Nc1cccc([S@@](C)=O)c1 96491453 RPGHMASQXPBUEL-CWKPULSASA-N 324.324 1.811 0 40 DDAB CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@H]21 96043295 LDTODCQUFWRAKB-HZSPNIEDSA-N 304.394 1.233 0 40 DDAB C[C@H]1CC[C@@H](CO)CN1C/C=C/CN1C[C@@H](CO)CC[C@H]1C 95443132 ILXKADWHYPCQNI-VKKSWGCMSA-N 310.482 1.728 0 40 DDAB Cc1cccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)n1 248157357 ZQZVEFVKZAZYMR-QZTJIDSGSA-N 319.449 1.702 0 40 DDAB Cc1cc(CN2Cc3ccnn3[C@H](C(=O)NCC3CC3)C2)no1 247936625 SNCDKWUQIPAWJW-HNNXBMFYSA-N 315.377 1.263 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)CCc2ccc(Cl)cc2)C1 257230182 GBEUVVXRIHGQQZ-MRXNPFEDSA-N 310.825 1.798 0 40 DDAB C[C@@H]1CCO[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 253369551 DYEJEOQNBXXZAO-HONMWMINSA-N 322.792 1.765 0 40 DDAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)c1 257299179 RPAJRXHAWHEULA-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB Cc1ncc2cncc([C@@H]3CCCN(C(=O)CCC(N)=O)C3)n12 257257468 KPRFPJZAGZAVLP-GFCCVEGCSA-N 315.377 1.009 0 40 DDAB CC(C)N1CCC(C(=O)N2CCOC[C@H]2c2ccn[nH]2)CC1 257286407 PLNARLGVZFAEJX-HNNXBMFYSA-N 306.410 1.430 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2c(C)nn(C)c2C)CCO1 257324566 WPHFCFWCGVQHHC-AWEZNQCLSA-N 316.409 1.442 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(N)C(=O)O 252516131 QFGKNOHDHKYYJJ-HOSYDEDBSA-N 303.767 1.023 0 40 DDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(CC(=O)O)CC1 262372752 BCPDNTISFRWFOE-LLVKDONJSA-N 310.394 1.395 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC(=O)Nc3cccnc32)c(C)o1 390833844 NVWBFTPQQIYAII-UHFFFAOYSA-N 321.358 1.829 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2O1)N1CCCC1 585109561 WUKPILBLQPZOMR-MELADBBJSA-N 324.396 1.507 0 40 DDAB O=C(N1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1)C1(F)CCC1 585108525 QCWOJZNSPDQSCJ-IUODEOHRSA-N 310.369 1.165 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc(F)cc2Cl)[C@@H]1O 585291142 KYLXCAZWXCYRFX-MCIONIFRSA-N 303.761 1.686 0 40 DDAB Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@@H]1CO 585098608 ZPRKPQYCMUQBJE-QGZVFWFLSA-N 313.401 1.918 0 40 DDAB Cc1ccccc1-n1c(=O)cc(NCc2cccnc2)[nH]c1=O 44019588 QJBPSBMJQOMZCH-UHFFFAOYSA-N 308.341 1.841 0 40 DDAB COC[C@H](C)N(C)S(=O)(=O)c1cccc(C)c1C(=O)OC 58180802 SWHQSOGJRFDAAF-NSHDSACASA-N 315.391 1.437 0 40 DDAB CCN(c1ccc(C(=O)NCc2nncn2C)cc1)C(C)C 58265117 NPSXPFXDSBYQBQ-UHFFFAOYSA-N 301.394 1.980 0 40 DDAB O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCOCC1 69195198 TUDZUKGKPMPIDA-VHSXEESVSA-N 316.345 1.274 0 40 DDAB COc1nn(C)cc1C(=O)N(CC(F)(F)F)C1CCOCC1 75166669 AEJYAQGXMXHXMO-UHFFFAOYSA-N 321.299 1.612 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 97051648 LPYJBXZMBHDSHL-SNVBAGLBSA-N 322.352 1.618 0 40 DDAB O=C([C@@H]1COCCO1)N1CCc2ccc(Br)cc21 78998241 KWQHORMRRHPRFS-LBPRGKRZSA-N 312.163 1.754 0 40 DDAB CCn1cc(CC(=O)N[C@H]2CNC[C@H]2OC)c2ccccc21 1548448092 KULGZQPDDQOFNC-GOEBONIOSA-N 301.390 1.307 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)c1 13636929 LFLAFJKQWMPHKF-NEPJUHHUSA-N 322.386 1.317 0 40 DDAB O=CN1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 13669991 HIHUCGXCCSZPCM-UHFFFAOYSA-N 312.822 1.874 0 40 DDAB O=C(NCc1ccncc1)c1cnc(-c2ccccc2)[nH]c1=O 19937201 NZRDCJUOEBYNNN-UHFFFAOYSA-N 306.325 1.762 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4846609 MYYRFPHNWHRJPQ-NSHDSACASA-N 322.386 1.232 0 40 DDAB O=C(O)CN1C[C@H](c2ccc(F)cc2)[C@@H](c2csnn2)C1 12181176 OWDMBVNOSPDVST-NEPJUHHUSA-N 307.350 1.945 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)NC1CCCC1 10940349 AHHCYNWDZRCFLR-BZNIZROVSA-N 319.357 1.817 0 40 DDAB Cc1nnc(CN2CCC(Oc3ncc(Cl)cn3)CC2)o1 1888843643 LNOBCNOUGYBXRI-UHFFFAOYSA-N 309.757 1.865 0 40 DDAB CCc1cc(N2CCN(c3ccc(N(C)C)nn3)CC2)ncn1 1888854067 JIYHKLNLJFRSIZ-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB COc1cnc(OC2CCN(c3ncc(Cl)cn3)CC2)nc1 1889098142 YCCYVDSTVSDWBD-UHFFFAOYSA-N 321.768 1.976 0 40 DDAB CCOC(=O)c1ccoc1Cn1nnn(-c2ccccc2)c1=O 16362299 LLTWIZFZYGCILE-UHFFFAOYSA-N 314.301 1.247 0 40 DDAB CN(C)C(=O)c1cccc(N2CCC[C@@H](C(=O)N(C)C)C2)n1 1848352070 DWNPSLMFXAMWLO-GFCCVEGCSA-N 304.394 1.088 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3ccco3)CC2)no1 23467687 ZRKJVQRCWCCOAV-ZDUSSCGKSA-N 318.377 1.721 0 40 DDAB c1cnc(OC[C@H]2CCCN(c3ccc4nncn4n3)C2)nc1 1776000963 RKTAMSOUOZMNCX-LBPRGKRZSA-N 311.349 1.210 0 40 DDAB CC(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037841095 VZWRYOGTTCUQRA-MRXNPFEDSA-N 306.337 1.570 0 40 DDAB CC(C)(C)C1CCN(S(=O)(=O)N2CCC(N)CC2)CC1 195555156 RBODPYGBSAIZDG-UHFFFAOYSA-N 303.472 1.412 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)C(F)(F)Br 953095506 LGQPXGWTFUETNV-UHFFFAOYSA-N 317.130 1.615 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC(Nc3ncccn3)C2)C1 1565552611 PIDGVXFJULHZDP-JLTNHSJASA-N 314.389 1.162 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2 211394 HPDFPQUQBVMZTJ-JTQLQIEISA-N 313.382 1.940 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(Cc2ccccc2)CC1 2055772251 NFUHLEPUUKYJFC-UHFFFAOYSA-N 312.417 1.963 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)no1 2055734522 GIDIYZZJPGVCFQ-SNVBAGLBSA-N 304.350 1.320 0 40 DDAB COc1cccc(CN2CC3(CCN(S(C)(=O)=O)C3)C2)c1 2055806636 GIOZGTCJEYGBSS-UHFFFAOYSA-N 310.419 1.163 0 40 DDAB COC(=O)c1ccc(COc2cc(=O)n3cccc(C)c3n2)o1 35597031 KNKMCNRAZIGSHV-UHFFFAOYSA-N 314.297 1.962 0 40 DDAB O=C(NCCn1ncccc1=O)c1cc(-c2cccs2)n[nH]1 38489006 XNAATEQYWRDXTO-UHFFFAOYSA-N 315.358 1.125 0 40 DDAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN1CCCCCC1=O 30659243 BVEGDJPAQSBHIX-UHFFFAOYSA-N 314.389 1.924 0 40 DDAB COc1ccccc1COC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1 40459157 YEEGJUNIXGTMJM-LZWOXQAQSA-N 309.406 1.682 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)o1 40514086 DULKXXXEXGYUGU-LLVKDONJSA-N 322.386 1.987 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 71144437 RNROTAVFTZZVAO-JTQLQIEISA-N 322.352 1.935 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCO1 11517978 JXZFFDUOTPAYHI-SNVBAGLBSA-N 321.764 1.297 0 40 DDAB COc1ccc(N2C(=O)C[C@H](Sc3ncccn3)C2=O)cc1 339204 YHTZYMHBGQPPJS-LBPRGKRZSA-N 315.354 1.909 0 40 DDAB Cc1cc(OCC(=O)NCC(=O)O)c2c(C)c(C)c(=O)oc2c1 489644 SLXGCWXVDUAKSV-UHFFFAOYSA-N 319.313 1.298 0 40 DDAB biogenic Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CC4)cnc32)cc1 1330699 DQHIOEINIXQFGS-UHFFFAOYSA-N 323.356 1.169 0 40 DDAB COc1ccnc(N2CCN(C(=O)Cc3cccs3)CC2)n1 52102300 SZFDVODFRHIJMU-UHFFFAOYSA-N 318.402 1.438 0 40 DDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1 7918325 HTHBONDJANBDMT-LLVKDONJSA-N 303.380 1.685 0 40 DDAB CCOC(=O)NC(=O)CSc1nncn1-c1ccccc1F 6129205 AKQGYKUWARRHNN-UHFFFAOYSA-N 324.337 1.771 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)NCCC(=O)N1CCCC1 32716752 GHAQQHIABVVQOZ-UHFFFAOYSA-N 318.373 1.129 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)c2ccc(F)cc2)C1=O 52206332 BUIPSZOIRPWGKY-OAHLLOKOSA-N 322.340 1.014 0 40 DDAB CNC(=O)C1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 32857868 QKQZNIGUGDZKMY-UHFFFAOYSA-N 305.378 1.432 0 40 DDAB CCNC(=S)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 490395 DOLVFSKAELZIPZ-UHFFFAOYSA-N 324.402 1.605 0 40 DDAB biogenic C[C@@]1(NC(=O)c2cc(-c3ccccc3)[nH]n2)CCS(=O)(=O)C1 32904880 IBAYGKYBFROEOF-OAHLLOKOSA-N 319.386 1.384 0 40 DDAB Cc1noc(C)c1CN(C)Cn1nnn(-c2cccs2)c1=O 46478453 FWHLYDNOMIFGPM-UHFFFAOYSA-N 320.378 1.185 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCC1=CCCCC1 102698177 YFWSQQKXWNMTSQ-GASCZTMLSA-N 316.401 1.944 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc[n+]([O-])cc2)c1 16498765 QVPQUKGHSJVASN-NSHDSACASA-N 302.330 1.828 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(N)=O)sc1C 91042940 GDEHPOZALQLXFK-VHSXEESVSA-N 302.421 1.297 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1SC[C@@H](C(=O)O)NC1=O 20635118 SQEZZJVBZLVOGT-NWDGAFQWSA-N 322.386 1.262 0 40 DDAB CC(C)Cn1nnc(NC(=S)NC(=O)c2cccs2)n1 9140265 FVPRWIDVPCJZEM-UHFFFAOYSA-N 310.408 1.517 0 40 DDAB Cc1ccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1 103007821 XNPLFXSRZOREKO-UHTWSYAYSA-N 318.358 1.362 0 40 DDAB CC(C)c1nc(CN[C@@H]2CCCN(c3cccnn3)C2)no1 69737988 ZCOCPWXAWRAYBJ-GFCCVEGCSA-N 302.382 1.742 0 40 DDAB COC1CCN(CC(=O)/N=c2\cc[nH]n2[C@H](C)C2CC2)CC1 104251007 MBKCDPYKCXKCKY-JIUKNFRESA-N 306.410 1.325 0 40 DDAB O=C(NCCc1ccco1)NC[C@@H]1COc2ccccc2O1 54036957 MDKFHUBLMYWRIF-CYBMUJFWSA-N 302.330 1.961 0 40 DDAB C[C@H](O)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 22858733 DZJBWPMAQOFXPB-RYQLBKOJSA-N 320.433 1.142 0 40 DDAB O=C(CNC(=O)c1ccco1)Nc1ccc(-n2ccnc2)cc1 23889997 XIXGHDVXZQNICM-UHFFFAOYSA-N 310.313 1.834 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@H]1CCCO1 42865971 VYXMIPRJMVFZNB-OAHLLOKOSA-N 315.377 1.588 0 40 DDAB CC(C)OC(=O)c1ccc(NC(=O)CN2CCC[C@H](O)C2)cc1 24166919 CMBLDIUHENXGJH-HNNXBMFYSA-N 320.389 1.647 0 40 DDAB CC(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1 25381141 PYVBSEIEBCUJPX-UHFFFAOYSA-N 318.354 1.789 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 26161323 OAPGMFIPSVRBOW-QGZVFWFLSA-N 323.396 1.671 0 40 DDAB CC1CCC(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 57505040 QIYWYJKMOOULDZ-UHFFFAOYSA-N 321.421 1.936 0 40 DDAB CCNC(=S)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 21193787 IZGXZJJQPOATPS-HNNXBMFYSA-N 323.462 1.553 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 58162132 VQPNPTVDTLOBSY-DOMZBBRYSA-N 316.357 1.556 0 40 DDAB C[C@H](C(=O)NC1CC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 44869282 IBKCPLNBYXSXQU-SNVBAGLBSA-N 300.362 1.022 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1 44895546 WNIMVTAWBWDUAF-NSHDSACASA-N 322.386 1.987 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 44910329 SJYLVCIYEJXSJV-GFCCVEGCSA-N 308.403 1.189 0 40 DDAB CCOc1ccc(CCC(=O)NC[C@H]2CN(C)CCO2)cc1 58341732 KFLSFHCZTCPULW-INIZCTEOSA-N 306.406 1.465 0 40 DDAB CCOc1cc(C)ccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 58391889 SKEJHKZWHMLFAR-NSHDSACASA-N 312.391 1.702 0 40 DDAB COc1ccc(CC2CCN([C@H](C)C(=O)NC(N)=O)CC2)cc1 58326738 NBWSOBFRNOHBGO-GFCCVEGCSA-N 319.405 1.533 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccs1 3317891 URKGHCVBQUKREZ-UHFFFAOYSA-N 307.375 1.229 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)Nc1cc(F)cc(F)c1 58617207 AXANHLRRACQCPK-UHFFFAOYSA-N 304.256 1.413 0 40 DDAB CCO[C@H](C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 58818880 MRGXSRDEPMXSFV-GFCCVEGCSA-N 317.389 1.918 0 40 DDAB Cc1cnn(CC(=O)NCCc2nc3c(s2)CCCC3)c1 69893314 NQBHAZIMNHMNAJ-UHFFFAOYSA-N 304.419 1.886 0 40 DDAB CCOC(=O)NC(=O)COC(=O)c1ccc2ccccc2n1 3510786 MGNIYOLMSUDPHN-UHFFFAOYSA-N 302.286 1.664 0 40 DDAB Cc1cnc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cn1 3568100 WUVFLRFKQIJVBG-UHFFFAOYSA-N 312.329 1.675 0 40 DDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 3882481 ROLKPLJIYRQHNY-OQMKEHIESA-N 301.298 1.066 0 40 DDAB biogenic,in-vitro CCn1ncc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1C 17054974 QYDZQURODCMETB-FWIFWCIWSA-N 319.405 1.965 0 40 DDAB CN1CCN(CCNC(=O)CCc2cccc(F)c2F)CC1 69414502 YNXQNWIGCUIQII-UHFFFAOYSA-N 311.376 1.261 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C[C@@H](C)O1 69475099 WQGXEHCIGNFSIN-VNHYZAJKSA-N 317.389 1.611 0 40 DDAB Cc1noc2ncc(C(=O)NCCCOC[C@@H]3CCCO3)cc12 65417523 IVIOSQCKNISYDV-ZDUSSCGKSA-N 319.361 1.847 0 40 DDAB Cc1ccc(CNC(=O)CN(CC(N)=O)C2CCCC2)cc1F 65517821 YDUFBWDHXPXDME-UHFFFAOYSA-N 321.396 1.480 0 40 DDAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC1CC1 5317010 ORGASAYRYJCHJF-UHFFFAOYSA-N 312.156 1.982 0 40 DDAB Cc1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 14114610 FLJSFLWMRGTQIC-UHFFFAOYSA-N 315.373 1.823 0 40 DDAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cn1 14138927 NGQKIMQIVPEXNE-UHFFFAOYSA-N 314.341 1.834 0 40 DDAB CC(C)Cc1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1 69630409 YXTXAOAEHZQCIC-CYBMUJFWSA-N 304.398 1.772 0 40 DDAB COC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 5670834 CDMISBDINCSWQS-UHFFFAOYSA-N 307.346 1.729 0 40 DDAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCSCC1 67284401 YGNLJKBUTMOCSY-UHFFFAOYSA-N 307.354 1.876 0 40 DDAB CCc1cccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)c1 7003308 LXBDFFIEHZUSTC-OAHLLOKOSA-N 306.406 1.186 0 40 DDAB Cc1noc(C)c1CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96421548 WPUMKPMGWAQLKC-MJBXVCDLSA-N 307.394 1.947 0 40 DDAB CCc1[nH]c(C(=O)OCC(=O)NC(C)(C)C)c(C)c1C(=O)OC 9549331 SOFPYVUAVORIJS-UHFFFAOYSA-N 324.377 1.744 0 40 DDAB CCc1c(C)cc(C(=O)N2CCC[C@H](N(C)C)CC2)c(=O)n1C 72158559 BQZBVLXKNWSCSM-AWEZNQCLSA-N 319.449 1.812 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)OCc2nnnn2-c2ccccc2)cn1 71859326 JRTDNWSOLYFJIZ-KGLIPLIRSA-N 324.344 1.243 0 40 DDAB C[C@@H](NC(=O)NCc1ccoc1)c1ccc(S(N)(=O)=O)cc1 89904871 GNJCKLFKJJJMDL-SNVBAGLBSA-N 323.374 1.487 0 40 DDAB CC(=O)N(c1nc(/C=C/c2nccc(=O)[nH]2)cs1)C1CC1 89930391 XVATZRBENYVJBN-GORDUTHDSA-N 302.359 1.912 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)NCc3cccnc3)C2)n[nH]1 84111021 JGTAGFWRGZNLDY-OAHLLOKOSA-N 313.405 1.609 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 89930530 YDUALOLCNOPTPD-CVEARBPZSA-N 319.380 1.945 0 40 DDAB COCc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)o1 72235139 CLOJZWBLNMQAHI-GFCCVEGCSA-N 304.350 1.803 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(N2CCCC2)nc1 72288382 WELXLGCLFFAJJF-AWEZNQCLSA-N 311.389 1.623 0 40 DDAB Cc1cnn(C2CN(CC(=O)Nc3ccnn3C(C)C)C2)c1 72253861 KRLGWSBALALYFQ-UHFFFAOYSA-N 302.382 1.464 0 40 DDAB CNC(=O)c1cc(NC(=O)NCCc2ccnn2C)ccc1F 97140889 AKCIYQXSVKBWBP-UHFFFAOYSA-N 319.340 1.283 0 40 DDAB C[C@H]1CN(c2cc(N3CCCCC3)ncn2)CCS1(=O)=O 97142335 YGERISZQBRYFFC-LBPRGKRZSA-N 310.423 1.090 0 40 DDAB CCOc1ncnc2c1CN(CC(=O)NC1CCCC1)CC2 97202015 ZOIYQTIQVJLZOE-UHFFFAOYSA-N 304.394 1.292 0 40 DDAB O=S(=O)(N[C@@H]1CCCC[C@H]1n1cccn1)c1cccnc1 72728822 ZOEVLQTXUCBUAP-ZIAGYGMSSA-N 306.391 1.740 0 40 DDAB C[C@H]1C[C@H](OC(=O)CCCn2c(=O)oc3ccccc32)C(=O)O1 84686021 FSQWLEGIPUIXFZ-GWCFXTLKSA-N 319.313 1.622 0 40 DDAB Cc1cc(C)cc(CCNC(=O)N(C)CCN2CCOCC2)c1 77874402 RPXLWXFLAUMRTQ-UHFFFAOYSA-N 319.449 1.820 0 40 DDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1occc1C 84736268 SYPGGMLTQUPCDB-OLZOCXBDSA-N 300.424 1.738 0 40 DDAB C/C=C/C=C/C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 95446278 CBHBPRYNLKHJGR-LXYAXSOMSA-N 300.402 1.870 0 40 DDAB CCc1ccc([C@@H]2COCCN2C(=O)CN2CCCOC2=O)o1 79055440 IZHDPTCSSALHKU-ZDUSSCGKSA-N 322.361 1.584 0 40 DDAB CCc1ncsc1NC(=O)C(=O)NCc1ccccc1CO 95972444 SUSSXSBZKQPVDW-UHFFFAOYSA-N 319.386 1.453 0 40 DDAB CS[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)SC)[C@H](C)C1 95962511 XGDRSUIHHHEPKN-GMTAPVOTSA-N 304.481 1.549 0 40 DDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O 95961659 ABSQCXNAFHRBHW-IAQYHMDHSA-N 306.366 1.217 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2c(C)noc2C)C1 95954921 DRYIDVJYLYJBMD-SMDDNHRTSA-N 309.410 1.655 0 40 DDAB O=C1C[C@H](C(=O)NC2(C(=O)O)CCCC2)c2ccc(F)cc2N1 95948856 MLOHTMLMBOTSDF-NSHDSACASA-N 320.320 1.765 0 40 DDAB O=C(NCc1nccn1Cc1ccccc1)N1CCC[C@@H]1CO 74818170 OWGQURDMTQVUCS-OAHLLOKOSA-N 314.389 1.598 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1ccnc(OC2CCCCC2)c1 89341866 MWFWKWMSXCNRHU-QGZVFWFLSA-N 320.389 1.674 0 40 DDAB Cc1cccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 75136929 QUMJBPKXLFPEOW-OAHLLOKOSA-N 303.406 1.717 0 40 DDAB CCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)NC1=S 409007110 NSXGKYBWFXWECQ-YFHOEESVSA-N 306.343 1.228 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306140110 UKFGVHDZVCLGKE-FVQBIDKESA-N 316.401 1.872 0 40 DDAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C 188335103 ZENSBFDYQYJKHE-GXFFZTMASA-N 318.826 1.908 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 32689137 UHRZCVWKZYYOAJ-UHFFFAOYSA-N 315.329 1.195 0 40 DDAB Cc1cc(C(=O)NCCc2ncc[nH]2)c(C)n1[C@@H]1CCOC1 528516252 JBVYTCJLKKOHTD-CYBMUJFWSA-N 302.378 1.762 0 40 DDAB CC(C)N(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C 79409293 YGHMRROJVSZURX-CYBMUJFWSA-N 313.442 1.829 0 40 DDAB Cc1n[nH]c(SCc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)n1 33007468 UWQSYLYXGCHXNB-UHFFFAOYSA-N 315.358 1.346 0 40 DDAB CNC(=O)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 77398334 VEEJJPFBSKBEPJ-UHFFFAOYSA-N 318.398 1.567 0 40 DDAB CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc2nc(S)oc2c1 152465380 QZPJORJMQOZNJM-HQJQHLMTSA-N 312.416 1.959 0 40 DDAB CN(C)C(=O)c1cc([C@H]2CCCCN2c2cnccn2)n[nH]1 72356365 ZPLNHYLGMHEAND-CYBMUJFWSA-N 300.366 1.633 0 40 DDAB CNC(=O)[C@@H]1NCC2(CCCC2)c2cc(OC)c(OC)cc21 35993585 RWMSWBMYEASOIA-OAHLLOKOSA-N 304.390 1.906 0 40 DDAB Cc1nc([C@@H]2CCN(CC(=O)NCc3sccc3C)C2)n[nH]1 563942371 BUSOOVSBZNXALA-GFCCVEGCSA-N 319.434 1.589 0 40 DDAB COC[C@](C)(O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 562377967 SMIVWFJYHCLKKD-INIZCTEOSA-N 303.362 1.825 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)Cc1ccon1 81075307 FSRGPVFZBTWGPG-GFCCVEGCSA-N 321.402 1.845 0 40 DDAB CCOc1ccc(C)cc1S(=O)(=O)N1CCN(CC)CC1 41091678 SPMQOYVPHZZVEM-UHFFFAOYSA-N 312.435 1.720 0 40 DDAB Cc1[nH]ccc(=O)c1OCC(=O)Nc1ccc2c(c1)OCO2 40309151 PFIQLLYQXNBMDV-UHFFFAOYSA-N 302.286 1.430 0 40 DDAB biogenic O=C(NCCc1ccccc1)N1CC[C@H](Oc2cccnn2)C1 225418066 CXOBENZYTHZDGW-HNNXBMFYSA-N 312.373 1.882 0 40 DDAB CCCN1CC[C@@H](CNc2ccc(S(=O)(=O)NC)cn2)C1 91457297 IFBNMASUGWCJPX-LBPRGKRZSA-N 312.439 1.134 0 40 DDAB Cc1cc2ccccc2nc1NCCN1CCCS1(=O)=O 96480960 OJUXKTWPHDQIAP-UHFFFAOYSA-N 305.403 1.991 0 40 DDAB Cc1nc([C@@H]2C[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@H]3O2)n[nH]1 96045878 DYNVFYQZNMOXRG-FPMFFAJLSA-N 316.361 1.925 0 40 DDAB CC1CCN(C[C@@H]2OC[C@H](NCc3ccc(F)cc3)[C@H]2O)CC1 514288536 HSCQXIKUNYNSDN-OKZBNKHCSA-N 322.424 1.776 0 40 DDAB biogenic,in-vitro Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 96435377 YQSRFXONEDIFIT-SNVBAGLBSA-N 320.397 1.932 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1ccsc1 96486697 VVKHFHGDHXLUOT-DGCLKSJQSA-N 309.435 1.292 0 40 DDAB O=C(c1cscn1)N1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 96158130 GBMATWFBSRUGJP-CZUORRHYSA-N 321.446 1.860 0 40 DDAB Cc1nc(CNC(=O)N[C@@H](C)COc2ccccc2C)no1 96439406 UJWBUXABTPKGPR-NSHDSACASA-N 304.350 1.953 0 40 DDAB COCC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 96047064 HWJBFNTZVVUYMO-KRWDZBQOSA-N 317.389 1.183 0 40 DDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)C4CC4)CO3)C2)no1 247896297 HKIAIEPQLMMXCH-CYBMUJFWSA-N 319.405 1.490 0 40 DDAB c1cnc(NC[C@H]2CCC3(CN(C4CCOCC4)C3)OC2)nc1 248023925 GCCJGHHOGUGWRQ-CQSZACIVSA-N 318.421 1.549 0 40 DDAB CNc1cncc(C[C@@H]2COCCN(Cc3ccccn3)C2)n1 257242347 ICBHMNBNPZTLRO-AWEZNQCLSA-N 313.405 1.604 0 40 DDAB O=C(c1ccc2ncccc2c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257236583 HCVWOTFIGGCNIK-WMZOPIPTSA-N 312.369 1.991 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCO[C@H](c2cnccn2)C1 257232472 GKZPCLPYJTZSAN-HNNXBMFYSA-N 301.321 1.758 0 40 DDAB CN(C)c1ccnc(NC(=O)N2CCC3(CCOCC3)C2)n1 373928315 KENKQYXYGOSGMI-UHFFFAOYSA-N 305.382 1.577 0 40 DDAB Cn1cc(-c2noc(CNC(=O)c3cccc(C#N)c3)n2)cn1 390831246 QQBYDNXQZPCXIG-UHFFFAOYSA-N 308.301 1.272 0 40 DDAB Cc1n[nH]c(C)c1-c1cccc(CN2CCS(=O)(=O)CC2)c1 649430720 NREGYHDKCASELB-UHFFFAOYSA-N 319.430 1.924 0 40 DDAB CNC(=O)[C@H]1CCC[C@@H]1Nc1noc(Cc2ccc(F)cc2)n1 585142311 SQMPXVYNHBNPGV-STQMWFEESA-N 318.352 2.126 0 40 DDAB O[C@]1(COc2ccc(F)cc2)COCCN(c2ncccn2)C1 585275206 AHKHXZZBIGNLQO-INIZCTEOSA-N 319.336 1.262 0 40 DDAB Cn1cccc1-c1csc(NC(=O)CCN2CCOC2=O)n1 55248367 PTJMKTRLERQCMF-UHFFFAOYSA-N 320.374 1.929 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)NC(=O)CS2 52749644 UDIQNJBDWALBAV-SNVBAGLBSA-N 316.386 1.746 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(OCC(F)(F)F)nc1 56156036 MSMKJPVCUDFSQV-ZETCQYMHSA-N 320.271 1.279 0 40 DDAB O=C(CS(=O)(=O)Cc1cc(-c2ccccc2)no1)N1CCC1 57737986 BNQDOYCNFOCOAP-UHFFFAOYSA-N 320.370 1.489 0 40 DDAB Cc1cnn(C[C@@H](C)NCC(=O)NCCc2ccsc2)c1 69592298 XWIHWMJMXFJNAU-CYBMUJFWSA-N 306.435 1.590 0 40 DDAB CCc1nnc(CN2CCN(C(=O)c3ccc(O)cc3)CC2)o1 85785839 AICCOTKBAGCEJS-UHFFFAOYSA-N 316.361 1.296 0 40 DDAB CC(C)Oc1ccc(CNC(=O)NCC(=O)NC2CC2)cc1F 71879930 ZKZAPGNACXZZBG-UHFFFAOYSA-N 323.368 1.691 0 40 DDAB COc1cc(OC)cc([C@@H]2CCN(CCn3cncn3)C2)c1 89423929 UQFKIALBUYUWLW-CYBMUJFWSA-N 302.378 1.785 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 503776480 LLCBVTODLKFHEK-GHMZBOCLSA-N 301.375 1.142 0 40 DDAB CC[C@H](C)c1cc(C(=O)NC2CCS(=O)(=O)CC2)on1 96436123 DZZIKHFTXSXYAZ-VIFPVBQESA-N 300.380 1.495 0 40 DDAB CC(C)CC(=O)N1CCC(Nc2ncnc3c2cnn3C)CC1 97160178 SHCRYZUDFOPKNG-UHFFFAOYSA-N 316.409 1.812 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1ncc(Cl)n1C)CC2 97202358 BYIKEGBWSZTYAN-UHFFFAOYSA-N 306.801 1.488 0 40 DDAB C[C@@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O 12146843 HDWPFWHTOXHISQ-WBMJQRKESA-N 324.446 1.526 0 40 DDAB CCCNC(=O)Cn1ncc2c3oc(C)cc3n(CC)c2c1=O 12183650 HAZMFXCJCNFANC-UHFFFAOYSA-N 316.361 1.799 0 40 DDAB CCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234192 IQGMJQZFTOHAGY-UHFFFAOYSA-N 317.324 1.069 0 40 DDAB COc1cc(CN2CCN(c3nccn3C)CC2)cc(OC)c1 13694392 QPEJYWXTVWUCBL-UHFFFAOYSA-N 316.405 1.760 0 40 DDAB Cc1cc(N2CCN(Cc3nnc(C)o3)CC2)nc(C2CC2)n1 1888843510 HHUXCWOPNIYBJG-UHFFFAOYSA-N 314.393 1.676 0 40 DDAB CN(C)S(=O)(=O)CCCn1ccc2sccc2c1=O 330753563 DKGJVKRYRVFBQH-UHFFFAOYSA-N 300.405 1.345 0 40 DDAB COCCCN1CCO[C@H]2CN(C(=O)c3cc(C)cs3)C[C@@H]21 2056224058 BOJJWJPFZPFWKE-KBPBESRZSA-N 324.446 1.618 0 40 DDAB Cc1ccccc1NC(=O)C[C@H](NCCCCCCN)C(=O)O 10434161 KHMTZUHJUJMBAW-HNNXBMFYSA-N 321.421 1.886 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)nc1 2055732546 MUPOEAXFZUGKPE-LBPRGKRZSA-N 314.389 1.727 0 40 DDAB O=C(c1ccc2nccn2n1)N1CCN(c2ccccn2)CC1 2069560533 YYNVOVCYWGSEMJ-UHFFFAOYSA-N 308.345 1.087 0 40 DDAB C[C@@H](Cc1ccoc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 206663879 GFFATAWUNNLVCL-NSHDSACASA-N 323.370 1.960 0 40 DDAB CCN1N=C(C(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc21 49402642 ZBASCPBJOXHXLZ-UHFFFAOYSA-N 321.402 1.545 0 40 DDAB COC1CCN(C2CN(C(=O)COc3ccccc3C)C2)CC1 575609917 BOAURNITARVTQB-UHFFFAOYSA-N 318.417 1.695 0 40 DDAB CC(C)CN1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 585501126 BGVAGARNZXGAQF-UHFFFAOYSA-N 315.421 1.797 0 40 DDAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cn(CC)c(C)n1 50265526 JLYHJOMEYWUUKZ-VIFPVBQESA-N 303.384 1.085 0 40 DDAB CC(C)c1noc(CSc2nnc(N3CCOCC3)n2C)n1 30975899 ZYQXSLBKBPFVJG-UHFFFAOYSA-N 324.410 1.450 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(C(=O)NC3CC3)CC2)C[C@H](C)O1 31101475 ZCCFURXOWTVMAT-RYUDHWBXSA-N 309.410 1.206 0 40 DDAB Cc1ccccc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40467437 UTZXLLWSBSONFK-GFCCVEGCSA-N 313.444 1.733 0 40 DDAB C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)[C@@H]1CCCO1 40504369 LURLABFWNKXUPZ-FZMZJTMJSA-N 303.362 1.514 0 40 DDAB COc1cccc(Nc2nc(NCCO)c3nccnc3n2)c1 32094654 QVYIAPDVJHIIPL-UHFFFAOYSA-N 312.333 1.576 0 40 DDAB CC1=NNC(=O)[C@H]1CCNC(=O)Nc1ccc2c(c1)OCCO2 101147525 UGGCXHBHJJGYJC-NSHDSACASA-N 318.333 1.091 0 40 DDAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)n1 8343973 SDQUTPCUXMZQJY-UHFFFAOYSA-N 314.345 1.172 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1 46033695 HFXWUXHWLVEBTL-ZDUSSCGKSA-N 324.406 1.129 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4976711 OVLZQHTYFLCAQK-LBPRGKRZSA-N 323.824 1.761 0 40 DDAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccncc1 6962587 VWCFPEJWFYESCA-JYRVWZFOSA-N 309.329 1.591 0 40 DDAB c1cnc(-c2nc(CN[C@H]3CCc4ncnn4C3)cs2)nc1 69491711 LEPNPJUMOILITQ-JTQLQIEISA-N 313.390 1.296 0 40 DDAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC[C@@H]1CCCO1 32765538 VBIWADLFZYIQIY-YKXBDCQTSA-N 314.385 1.887 0 40 DDAB CCOC(=O)N1CCN(c2nc(NC)c3ccccc3n2)CC1 41146791 DBNZTXZCLVMFOA-UHFFFAOYSA-N 315.377 1.950 0 40 DDAB C[C@@H](CC(=O)NC[C@H](O)c1ccccc1)NC(=O)C1CCCC1 69439825 VMPSKSLIXBVSOV-BBRMVZONSA-N 318.417 1.921 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 22685237 CYZUBPGVFKPASD-BBRMVZONSA-N 303.406 1.464 0 40 DDAB O[C@H]1C[C@](CNCC2CCCC2)(COc2cnccn2)C[C@H]1O 107430563 MAMOWRBBEXGPFO-SCAQPMJSSA-N 321.421 1.137 0 40 DDAB biogenic,in-vitro CCS(=O)(=O)c1ccc(N(C)CC2CCOCC2)cc1N 42783789 AQHQPPRTCHCUJO-UHFFFAOYSA-N 312.435 1.925 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1cccnc1 12409462 BHCAOTCLZUDENO-INIZCTEOSA-N 309.369 1.701 0 40 DDAB CN1CCN(C(=O)CCc2cnn(C)c2)[C@H](c2ccccc2)C1 54830834 QRLHIXKXSGBVTH-KRWDZBQOSA-N 312.417 1.868 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc2c(c1)OCCO2 47746711 VCTDLYBXCDRZFD-PWSUYJOCSA-N 304.346 1.161 0 40 DDAB Cn1cc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)cn1 24450091 VNXNLUXXORQNDP-UHFFFAOYSA-N 315.373 1.942 0 40 DDAB COCC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005191 VNBGBCOGUYTIEY-CYBMUJFWSA-N 312.391 1.066 0 40 DDAB Cc1ccc(-c2ccc(C(=O)NCCS(N)(=O)=O)s2)o1 96006613 UBHGLDAPBOZJIO-UHFFFAOYSA-N 314.388 1.335 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 106908948 QARSHDHZHWJSAH-IHRRRGAJSA-N 323.441 1.101 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)Cc1noc2ccccc12 55813176 LJVFKVDKBHWYAL-NSHDSACASA-N 301.346 1.497 0 40 DDAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(=O)[nH]n1 21193374 UGZTZPBZXFLAJN-UHFFFAOYSA-N 324.296 1.868 0 40 DDAB CCC[C@H](NC(=O)[C@H](C)N1CCNC(=O)C1)c1ccccc1 57577006 RJRDIXNAHSBFDC-ZFWWWQNUSA-N 303.406 1.464 0 40 DDAB C[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC(C)(C)C 27035569 JZHPHHZHCWLXSM-QWRGUYRKSA-N 319.405 1.971 0 40 DDAB CN(C)C[C@@H](Cc1ccccc1)NC[C@H]1CNc2ccnn2C1 58296099 PBHCWQIBZUJFIH-DLBZAZTESA-N 313.449 1.687 0 40 DDAB Cc1ccc(-n2nnnc2N2CCc3nc(C)ncc3C2)cc1 44978769 SVXSUFQJOPSCLD-UHFFFAOYSA-N 307.361 1.632 0 40 DDAB NC(=O)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 3224031 CMGHIPPWCAVQIC-UHFFFAOYSA-N 303.343 1.150 0 40 DDAB CCCCn1c(N)c(C(=O)c2ccccc2)c(=O)n(C)c1=O 3239584 GRDOOSPGSDSNKF-UHFFFAOYSA-N 301.346 1.160 0 40 DDAB O=C(NO[C@H]1CCCCO1)c1ccc(N2CCOCC2)nc1 58429884 YTHMYPDTTWGZOE-AWEZNQCLSA-N 307.350 1.106 0 40 DDAB Cc1cc(C)n(CCC(=O)OCc2ccc(C(N)=O)cc2)n1 10572721 NHMWICTVLOJNDM-UHFFFAOYSA-N 301.346 1.732 0 40 DDAB Cc1cc(NC(=O)[C@H](C)OC(=O)COc2ccccc2)on1 10998936 QAMQYFGEXDIISX-NSHDSACASA-N 304.302 1.932 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)c2cnc(C)s2)cc1 65402331 QCHGTXKTOJXWKO-UHFFFAOYSA-N 319.386 1.620 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69530665 QWKMTWJCIUDKMF-GFCCVEGCSA-N 314.389 1.893 0 40 DDAB Cc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1 17945685 VINQBTSHGQQHAI-UHFFFAOYSA-N 305.359 1.525 0 40 DDAB CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 9303889 RLJWGJHYPGHYSY-UHFFFAOYSA-N 317.779 1.847 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nccs2)C1 67047233 JYFUKEMYTBEXQQ-NWDGAFQWSA-N 319.430 1.860 0 40 DDAB CCOCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 71186224 AJFDTRRTNYABCD-UHFFFAOYSA-N 318.299 1.181 0 40 DDAB c1ccc(-c2nc3c(c(N4C[C@@H]5CC[C@H](C4)N5)n2)CCNC3)cc1 67641291 XINJUBVWMIISGX-GASCZTMLSA-N 321.428 1.730 0 40 DDAB O=C(c1n[nH]c2c1CCC2)N1CCN([C@@H]2CCSC2)CC1 80433831 APAWQVAJXOGZPL-LLVKDONJSA-N 306.435 1.162 0 40 DDAB O=C(NCc1ccncc1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9364488 LIWOBGRUQNNNFF-MRXNPFEDSA-N 322.368 1.933 0 40 DDAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)N1CCC[C@H](CO)C1 80545708 YQOILBDJBCIBTJ-JKSUJKDBSA-N 309.454 1.665 0 40 DDAB CCCCS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 9137920 NLPSCJDNTVWZIL-UHFFFAOYSA-N 315.376 1.957 0 40 DDAB Cn1cccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O 409097112 HLYGIGXREUDZJD-UVTDQMKNSA-N 324.340 1.557 0 40 DDAB CC(=O)N[C@@](C)(C(=O)N1CCC[C@@H]1Cn1cccn1)C1CC1 70006680 HWJWAEJPUBSBGO-GDBMZVCRSA-N 304.394 1.179 0 40 DDAB CS(=O)(=O)/N=C(\O)c1ccc(CNC(=O)C2CCCC2)cc1 70030097 FCPUZXALMQYPSQ-UHFFFAOYSA-N 324.402 1.757 0 40 DDAB COc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1OC 93664708 OQDVGRQAUFOXJH-HNNXBMFYSA-N 320.433 1.858 0 40 DDAB O=C(c1cccs1)N1CCN(Cc2nnc(C3CC3)o2)CC1 71824665 HIYOLEPQRMCFTD-UHFFFAOYSA-N 318.402 1.967 0 40 DDAB COc1ccc(CNCC2(O)CCOCC2)c(Cl)c1OC 71885900 YZTULEOSPUJZLO-UHFFFAOYSA-N 315.797 1.988 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)n2cncn2)n1 71870148 RIMBJMTVWDYSRW-KBPBESRZSA-N 302.382 1.344 0 40 DDAB COc1ccc(-n2ccc(C(=O)N3CCN(C)C[C@@H]3C)n2)cc1 89938714 XSAQUVBXEODLTH-ZDUSSCGKSA-N 314.389 1.657 0 40 DDAB c1cc(CN2CCC[C@@H](N3CCNCC3)C2)c2c(c1)OCCO2 97019928 YWSQCWNYKMLUQG-MRXNPFEDSA-N 317.433 1.327 0 40 DDAB CC(C)c1nc([C@H]2CCCN2C(=O)CCCn2cncn2)no1 72299392 SDISLBZGJVMEMA-GFCCVEGCSA-N 318.381 1.928 0 40 DDAB COc1cccc2cc([C@@H](C)NC(=O)[C@H]3CNC(=O)N3)oc12 89904625 QGAGGSXZRQATNI-PSASIEDQSA-N 303.318 1.300 0 40 DDAB O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCSc2c(F)cccc21 97597442 KSRVDMFANAXJNS-ZJUUUORDSA-N 323.349 1.077 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 75606491 RCFVSSXIOBQMLL-CABCVRRESA-N 320.437 1.309 0 40 DDAB COc1ccc2cccc(CC(=O)NCc3n[nH]c(=O)[nH]3)c2c1 95436102 UZSGYPNXHJOHBL-UHFFFAOYSA-N 312.329 1.119 0 40 DDAB C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc2ncccc12 95428011 SEVMVCXOMAKRPH-RYUDHWBXSA-N 322.386 1.005 0 40 DDAB CCOC(=O)C(C)(C)C(=O)NCc1ccc(C(=O)OC)cc1 95447046 LUVWWHMKMCRKLO-UHFFFAOYSA-N 307.346 1.679 0 40 DDAB CCn1cc(S(=O)(=O)N2CCc3c(ncn3C3CC3)C2)cn1 95432695 BHNCDNKGBCKQJW-UHFFFAOYSA-N 321.406 1.181 0 40 DDAB COc1cc(CCNC(=O)N[C@@H]2CCCC[C@H]2O)ccc1F 95985362 WKMUZSZJLGYPNP-ZIAGYGMSSA-N 310.369 1.980 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)c1ccnn1C)c1cccs1 95943163 SJNDFNKCGHSGBT-JTQLQIEISA-N 314.436 1.063 0 40 DDAB COc1cc(CCC(=O)NC2(C(=O)O)CCC2)cc(OC)c1 95989669 AYTMIIALDNBTOK-UHFFFAOYSA-N 307.346 1.760 0 40 DDAB CCc1cnc(CN(C)[C@H]2CCN(CCc3cnn(C)c3)C2)o1 78891999 PYYDWISNUALIRT-HNNXBMFYSA-N 317.437 1.719 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C[C@H]2CCOC2)C2CC2)c(=O)[nH]1 75117938 GXISDELTBVGNBH-CYBMUJFWSA-N 319.405 1.702 0 40 DDAB Cc1c(NC(=O)CCn2cc(Br)cn2)cnn1C 28234744 YTWKSJBRSMWCGE-UHFFFAOYSA-N 312.171 1.716 0 40 DDAB C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(-n3cccn3)cc2)[C@@H]1C 1548490350 WLTTWTJVVCOEGT-XQQFMLRXSA-N 312.373 1.610 0 40 DDAB CCCN(C[C@@H](C)O)S(=O)(=O)c1ccc(C(=O)O)cc1 65742996 LSENJUHYDIWQAU-SNVBAGLBSA-N 301.364 1.166 0 40 DDAB in-vitro Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C(N)=O)c1ccccc1)C2 79427337 WKMKPFUZCWNEMJ-IRXDYDNUSA-N 324.380 1.950 0 40 DDAB COCCNC(=O)[C@H](OC(=O)c1cccs1)c1cccnc1 35315717 VGISLZXLXGUWBD-CYBMUJFWSA-N 320.370 1.804 0 40 DDAB CCO[C@H]1C[C@](O)(CNC2CCC(NC(C)=O)CC2)C1(C)C 189427072 UQSKFKYRAQUISP-NDTCATRNSA-N 312.454 1.589 0 40 DDAB O=C(CCc1ccccc1Br)NCCn1nccn1 238945238 WJHFHGMMIWNPFQ-UHFFFAOYSA-N 323.194 1.790 0 40 DDAB CCOC(=O)[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217998718 JVPMPPWJNOMAAA-WCQYABFASA-N 317.794 1.394 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)n1 72388040 NLVXJNQWJBRRLM-CQSZACIVSA-N 313.361 1.165 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217407834 PYKREBZTBGWGGZ-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB Cc1cc(-c2cncnc2[C@H]2CCCN(S(C)(=O)=O)C2)on1 72334665 QBCTUOZHJCXICV-NSHDSACASA-N 322.390 1.579 0 40 DDAB C[C@@]1(C(N)=O)CN(Cc2cccc(C(F)(F)F)c2)CCO1 72379577 CFXOLAZUBHMDLB-ZDUSSCGKSA-N 302.296 1.782 0 40 DDAB CCn1nc(C)c(NC(=O)CCc2ccccc2)c1C(N)=O 72265461 RCLVIXQRCOBWSZ-UHFFFAOYSA-N 300.362 1.882 0 40 DDAB Cc1ccc(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)c(=O)[nH]1 79350040 SWPVJTMKONXNMA-INIZCTEOSA-N 322.311 1.599 0 40 DDAB CCc1cc(CNc2cc([C@H]3CN(C)CCO3)nc(C)n2)on1 72387894 HRSUJLFATIRCIU-OAHLLOKOSA-N 317.393 1.951 0 40 DDAB Cc1ccn2cc(C(=O)Nc3ccc(C(=O)N(C)C)nc3)nc2c1 1537704281 WSQWUKWYNWBTDI-UHFFFAOYSA-N 323.356 1.992 0 40 DDAB O=c1c2ccccc2[nH]c(=S)n1C[C@@H]1CCS(=O)(=O)C1 44993355 AQZHKZHSANJVSB-VIFPVBQESA-N 310.400 1.494 0 40 DDAB CNC(=S)Nc1nc(Cl)cc(Sc2ncccn2)n1 225881122 UVWISTIPWHLERD-UHFFFAOYSA-N 312.811 1.987 0 40 DDAB CCn1nc(C)cc1CNC(=O)CNC(=O)c1cccs1 226745492 BNTFFECBXNRMTE-UHFFFAOYSA-N 306.391 1.319 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2cnccn2)C1 225791962 OSVCKMYCFBKWNO-CYBMUJFWSA-N 323.356 1.506 0 40 DDAB CCc1nc(CN(C)C(=O)[C@H]2CCc3nncn3C2)cs1 568962897 VMKMBUKHHAHYPG-JTQLQIEISA-N 305.407 1.518 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1ccccn1)O2 40779205 JMANUZQHQGHAMU-KRWDZBQOSA-N 311.341 1.796 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C2)nn1 225427370 IMXSGZACHANJQE-GDBMZVCRSA-N 313.357 1.498 0 40 DDAB O=C(NC[C@]1(O)CCSC1)c1cccc(-n2cccn2)c1 82966860 QCHMXMSLLWYYJK-OAHLLOKOSA-N 303.387 1.470 0 40 DDAB CS(=O)(=O)c1nccn1Cc1csc(-c2ccccn2)n1 81272476 SSZURWCXHLXPKA-UHFFFAOYSA-N 320.399 1.853 0 40 DDAB CS(=O)(=O)N1CCC(CNc2ncnc3ncccc23)CC1 178890955 CQQOJPQZXVAUCD-UHFFFAOYSA-N 321.406 1.108 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(F)c1F 96420333 JPPJQGQRGUNTIR-CABZTGNLSA-N 312.316 1.571 0 40 DDAB CCN1CC[C@H](N(C)S(=O)(=O)C2CCOCC2)C[C@@H]1C 96419768 XNMXHWWGRQEBCL-STQMWFEESA-N 304.456 1.300 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@@H]21)N1CCCCO1 96066424 IDAIERBDTGVYSO-BZUAXINKSA-N 308.422 1.677 0 40 DDAB c1ccc(CN2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nc1 96053831 VSOYUFAVQXDJRL-CALCHBBNSA-N 301.434 1.872 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053610 JHVBFFXHEUGSTE-JSGCOSHPSA-N 308.341 1.212 0 40 DDAB CN1CC[C@H](Oc2ncc(Br)cc2C(=O)O)C1 144745643 XVNOWVJVNLHCSW-QMMMGPOBSA-N 301.140 1.625 0 40 DDAB c1coc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 96087213 LSIHFZQJKDQRKK-CQSZACIVSA-N 311.345 1.622 0 40 DDAB Cc1ccc(N2CCC3(CC2)COCCN3CC2CC2)nn1 96074635 QPMLUMXTBDGVIO-UHFFFAOYSA-N 302.422 1.866 0 40 DDAB CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1cccc(N)c1 96521379 ZVSIZCCHRHIFQA-MNOVXSKESA-N 322.224 1.848 0 40 DDAB Cc1nc2c(c(NC3CC3)n1)CCN(C(=O)CCC(=O)O)CC2 96254943 SGMIJFIHFHFREQ-UHFFFAOYSA-N 318.377 1.151 0 40 DDAB CC(C)NC(=O)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1 96043137 AEKPOKMTXDPRJD-XHSDSOJGSA-N 303.406 1.586 0 40 DDAB Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)c2ccc3[nH]ccc3c2)cn1 96069952 UBVKHSXRXIBZRM-IRXDYDNUSA-N 324.384 1.720 0 40 DDAB O=C(CC1CC1)NC[C@H]1Cn2nnc(-c3ccoc3)c2CO1 96199209 PSFMLZRGGFGIOH-LBPRGKRZSA-N 302.334 1.353 0 40 DDAB CC(C)n1nccc1C(=O)N1CCO[C@H](c2cnccn2)C1 257210181 BTOSIFLBDAHMHT-AWEZNQCLSA-N 301.350 1.468 0 40 DDAB Cc1noc(C)c1C(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257249109 JGVUGVGWPUWBEF-ZDUSSCGKSA-N 316.361 1.413 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257264766 LVYGNJPGDZROCZ-ZDUSSCGKSA-N 324.388 1.791 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2ccn(C)n2)cc1 257300614 RVBHKWTUNYJJNS-OAHLLOKOSA-N 300.362 1.215 0 40 DDAB CCN1CCC(N2CCOC[C@@H](Cc3cc(O)ncn3)C2)CC1 257292338 QLAVWUIRAPHQIB-AWEZNQCLSA-N 320.437 1.157 0 40 DDAB CCn1cc(C(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 257337888 YUXLHCGVJMIEIV-CYBMUJFWSA-N 303.366 1.457 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257233802 GQUIWWYPNKDZHV-HOCLYGCPSA-N 307.394 1.102 0 40 DDAB CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cn[nH]c3)C2)c1 257317818 VLGRHXMRCCWRJZ-NSHDSACASA-N 321.406 1.333 0 40 DDAB NC(=O)c1cnc([C@H]2CCCN2C(=O)c2ccncc2)s1 257317930 VLTACUKUWSDHFO-SNVBAGLBSA-N 302.359 1.614 0 40 DDAB CCOCC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 58749852 JQCJDHWFRVBNIO-NSHDSACASA-N 315.167 1.128 0 40 DDAB CC(C)C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(=O)O 95427717 CSDWXEJBFNVPMX-ZDUSSCGKSA-N 316.361 1.556 0 40 DDAB C[C@H](CCO)CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 95961828 GIIIRYQBXQWSJM-ZWNOBZJWSA-N 301.383 1.652 0 40 DDAB COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)s1 178735016 JQNOLGIUVCLIPH-SNVBAGLBSA-N 313.828 1.467 0 40 DDAB COc1ccc(C(=O)NC(C)(C)C(N)=O)cc1Br 40675530 OMTCUFICTXRIIP-UHFFFAOYSA-N 315.167 1.451 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(OC)cc1 6054566 GEHMGOUHPPDSEM-RMKNXTFCSA-N 320.345 1.487 0 40 DDAB O=C(CCN1C(=O)CCC1=O)OC[C@@H]1CCCN2CCCC[C@@H]12 5382574 VGRHPOFGZZATBT-KBPBESRZSA-N 322.405 1.333 0 40 DDAB biogenic,in-vitro O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 5613036 QGPIRIBENPIUCZ-IIEHIVEUSA-N 317.385 1.726 0 40 DDAB Cc1cc2nc([C@@H](C)NC(=O)C[C@@H]3CCCO3)cc(O)n2n1 19129700 XSTWQEVPYOQMCQ-MNOVXSKESA-N 304.350 1.490 0 40 DDAB CC(C)CC(=O)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19446738 ZUFCJCOGCULLRF-CYBMUJFWSA-N 315.421 1.671 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19462744 HTAWPGRSPPKVGH-MRVWCRGKSA-N 324.384 1.804 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1cccnc1 19575979 WYIMZPPFHCMAKZ-BMGDILEWSA-N 312.417 1.512 0 40 DDAB CC(=O)N1CCc2nnc(C3CCN(CC(C)C)CC3)n2CC1 19708958 XNWXOFDQQCYFCU-UHFFFAOYSA-N 319.453 1.518 0 40 DDAB Cc1cc(=O)n(CC(=O)N2CC3(CC(c4ccccc4)C3)C2)cn1 1848746001 XOHMXAIZYYRCQV-UHFFFAOYSA-N 323.396 1.958 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)C1 32917401 BIJPYEGILDRZEE-IJLUTSLNSA-N 304.412 1.006 0 40 DDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(OC)c(F)c1 30335419 QFXBLDTYEMSZBB-UHFFFAOYSA-N 305.327 1.064 0 40 DDAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]1C(=O)O 35301297 MLTKKOOZHUMUNS-SNVBAGLBSA-N 316.810 1.909 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)CC1(O)CCC1)C2 1614948734 RQIUAVGSBUPQSN-ZDUSSCGKSA-N 307.394 1.280 0 40 DDAB Cc1nnc(N2CCO[C@@H](C(=O)NC3CC3)C2)c2ccccc12 2086964088 TUCJKDGBCXSRAV-OAHLLOKOSA-N 312.373 1.422 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ncnc3cc(F)ccc23)CCO1 2086967256 YAWZEMYVFGLHTE-AWEZNQCLSA-N 316.336 1.253 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1C)C2 1565553577 FBBWDLQYNDEZIB-PBHICJAKSA-N 320.389 1.043 0 40 DDAB CC1CC(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NC3CCC3)C2)C1 1565549699 ZWAJCLXTNFWPST-MVKYRMLYSA-N 320.433 1.565 0 40 DDAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccccc1F 10186437 KTUIAMGEHRGANI-CYBMUJFWSA-N 306.293 1.990 0 40 DDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)C1CC1)C2 2055719472 MNJPDYLGJNPHCA-UHFFFAOYSA-N 318.421 1.548 0 40 DDAB CO[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1Cl 206854586 KPBWNZIFKPMJIM-LLVKDONJSA-N 323.736 1.770 0 40 DDAB CCOc1ccc(SCC(=O)N(C)CC(=O)NC2CC2)cc1 31326628 YCNYYOQTXKUEIF-UHFFFAOYSA-N 322.430 1.914 0 40 DDAB O=C(C[C@H](NCc1ccccn1)C(=O)O)Nc1ccc(F)cc1 202829 RFYDVPHMANAHOL-AWEZNQCLSA-N 317.320 1.792 0 40 DDAB CC(=O)Nc1ccc(OCC[n+]2cccc(C(N)=O)c2)cc1 297622 RIWLBIRNODUKPF-UHFFFAOYSA-O 300.338 1.110 0 40 DDAB Cc1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1F 11773973 JUXKUQRTKXIYJZ-FNORWQNLSA-N 317.320 1.183 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@H](c1ccccc1)c1cccs1 51826900 KCBTXFYTQCMVMS-MRXNPFEDSA-N 317.414 1.371 0 40 DDAB Cc1cc(C)cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 3841765 BHZJMQWOUZFGAU-REWJHTLYSA-N 308.403 1.117 0 40 DDAB biogenic,in-vitro Cc1ccc(C(=O)N[C@H](C(=O)O)C(=O)Nc2ccccc2)cc1 41154940 LLCASKSWZORWBH-AWEZNQCLSA-N 312.325 1.817 0 40 DDAB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 6948339 YHVCCFOCCGXOIH-UKTHLTGXSA-N 310.313 1.569 0 40 DDAB COCCN1CC2(CCN(C(=O)C3CC=CC3)CC2)CC1=O 108531461 QMEIOTSGRUAXEJ-UHFFFAOYSA-N 306.406 1.440 0 40 DDAB Cc1cnn(C[C@H]2CCCN2Cc2cc(=O)n3ccccc3n2)c1 70040706 WHIDVEHSFDUHTJ-MRXNPFEDSA-N 323.400 1.864 0 40 DDAB O=c1[nH]ncc(N2CCOCC2)c1SCc1ccccc1 8652397 NSMXYMJPLOYLFZ-UHFFFAOYSA-N 303.387 1.899 0 40 DDAB Cn1c(-c2ccco2)nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103000091 JFYUOYIRFCTBPK-KOLSJAJHSA-N 307.331 1.466 0 40 DDAB CCn1ncc(Cl)c1C(=O)Nc1cnn(CC)c1C(N)=O 2780178 QBPTYYKILKXVHK-UHFFFAOYSA-N 310.745 1.124 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1=CCCC1 102681068 CWXIHODNLDYTJP-AJNGGQMLSA-N 314.385 1.410 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69741382 MOYMQNDMLJAZGX-CQSZACIVSA-N 317.393 1.242 0 40 DDAB O=C(CSc1nnc(CCC2CCCC2)[nH]1)N1CCOCC1 12104376 FUBQBQXNTITUHA-UHFFFAOYSA-N 324.450 1.878 0 40 DDAB O=C(NCc1ccoc1)[C@@H]1CCCN1C(=O)c1ccccc1O 53040410 OXDMCYONKMJRMS-AWEZNQCLSA-N 314.341 1.906 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)c1 70040501 CEGXJCLGZIMNBU-INIZCTEOSA-N 313.405 1.367 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccc2c1OCO2 53670422 HRWTYHUQYLQCKR-UHFFFAOYSA-N 323.374 1.244 0 40 DDAB Cc1csc(=O)n1CC(=O)NCCO[C@H]1CCCC[C@@H]1C 47005007 FPECAHZWXMPGJL-AAEUAGOBSA-N 312.435 1.930 0 40 DDAB COc1cc(CC(=O)NCC[C@H]2CCCO2)cc(OC)c1OC 23189547 WGAHVZWOCASQIX-CYBMUJFWSA-N 323.389 1.940 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(F)cc1 23886678 JKFITELTMQHGNR-CYBMUJFWSA-N 314.382 1.256 0 40 DDAB CN1CCC[C@H](CNS(=O)(=O)N(C)C)[C@H]1c1ccccc1 110591532 INLUIUPHYARMME-HUUCEWRRSA-N 311.451 1.466 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCN2CCCC[C@H]12 42841645 CWVFVKJAXKYBAY-UONOGXRCSA-N 317.389 1.841 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C[C@@H](C)O1 12581492 WCQWNJNQVXTARZ-BETUJISGSA-N 320.389 1.545 0 40 DDAB C[C@@H](CCO)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 89895581 MRNWGNSSYZSPOP-NSHDSACASA-N 315.391 1.145 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CCO1 43701440 FFHHFMCICJUAGV-NSHDSACASA-N 318.156 1.848 0 40 DDAB C[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2cnccn2)C[C@@H](C)O1 107493619 KNFDLDNGJXJQCT-TUCADOHPSA-N 304.394 1.104 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cnn2cccnc12 44033914 OLVYBTYWQLBLQJ-LLVKDONJSA-N 310.313 1.299 0 40 DDAB C[C@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1CC(F)(F)F 108145461 MRIHLRORNPMUMY-WCQYABFASA-N 323.359 1.834 0 40 DDAB CCCc1noc(CCCC(=O)NC[C@@H](O)c2ccncc2)n1 89960503 WDZGONNEUKVDDD-CYBMUJFWSA-N 318.377 1.590 0 40 DDAB CCNC(=O)N1CC[C@H](NC(=O)NCCc2cccc(C)c2)C1 89977440 FOYQIVCEOKLUBQ-HNNXBMFYSA-N 318.421 1.641 0 40 DDAB COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)on1 108473949 DEILFULFLYSVKT-SWLSCSKDSA-N 319.336 1.998 0 40 DDAB CC(=O)n1cc(/C=c2\sc3ncnn3c2=O)c2ccccc21 27642441 HXMINBXJEBSNAR-MLPAPPSSSA-N 310.338 1.314 0 40 DDAB Cn1cc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cn1 110568595 JCSPFTKWVWFTFV-IHRRRGAJSA-N 305.378 1.597 0 40 DDAB CCc1nc([C@H]2CCCN2CCC(=O)N2CCOCC2)no1 75573219 HVOCLAOOWLFKCQ-GFCCVEGCSA-N 308.382 1.018 0 40 DDAB NC(=O)[C@H]1CCCN(CCCNC(=O)Nc2ccccc2F)C1 58264908 OUOATCYCEYZAOX-LBPRGKRZSA-N 322.384 1.535 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3cc[nH]n3)CC2)on1 58267251 JDTDRNMCMYMRDN-NSHDSACASA-N 303.366 1.913 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N2CCNC(=O)CC2)cc1F 75583983 MPJALWOWQJBXHE-SNVBAGLBSA-N 309.341 1.427 0 40 DDAB CCc1n[nH]c(=S)n1CCNC(=O)c1ccc(Cl)nc1 76088710 JLXXIXYCNNPFRH-UHFFFAOYSA-N 311.798 1.981 0 40 DDAB C[C@H](CNS(=O)(=O)c1cnn(C)c1)N(C)c1ccccc1 44937438 QCDYDPFIHWULFZ-GFCCVEGCSA-N 308.407 1.223 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCC[C@@H]1c1ccsc1 44940697 JQTYPSNSVRCILT-GFCCVEGCSA-N 306.387 1.951 0 40 DDAB O=C(NC1CCN(c2ncccn2)CC1)N1CCSCC1 44968332 RXTKQHAGRJNXBV-UHFFFAOYSA-N 307.423 1.204 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@H]2CCCO2)CC1 44975130 KFQICCLTELLHJH-DGCLKSJQSA-N 320.393 1.331 0 40 DDAB CCCNC(=O)NC(=O)CNC(C)(C)c1ccc2c(c1)OCO2 58343429 PJHMAWSSNPYPQU-UHFFFAOYSA-N 321.377 1.476 0 40 DDAB CCOCCCC(=O)NCc1ccc(N2CCN(C)CC2)nc1 58310559 FEAKTUMBBZZDEL-UHFFFAOYSA-N 320.437 1.266 0 40 DDAB Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)nn1C(C)(C)C 45036564 ZTLCSTKTYPWFMR-AWEZNQCLSA-N 314.389 1.903 0 40 DDAB O=C(NCCCN1CCCC1=O)c1cc(=O)[nH]c2ccccc12 36309604 DLFXLWXOLYWXHY-UHFFFAOYSA-N 313.357 1.270 0 40 DDAB CC(C)NC(=O)CCNC(=O)CN1CCc2sccc2C1 58794347 HBTPNYQLEVKAOW-UHFFFAOYSA-N 309.435 1.137 0 40 DDAB O=C(NCCc1cnn(-c2ccccc2)c1)NC[C@H]1CCOC1 48314592 LDKQOKFVLSMUKG-OAHLLOKOSA-N 314.389 1.751 0 40 DDAB CC(=O)NCC1CCN(C(=O)Cc2noc3ccccc23)CC1 48357227 HEXZPAMCYINAKK-UHFFFAOYSA-N 315.373 1.745 0 40 DDAB CC[C@H](C(=O)N1CCCC1)n1c(=O)[nH]c2ccccc2c1=O 17028660 NHOWCWHWZWVVAE-CYBMUJFWSA-N 301.346 1.263 0 40 DDAB CCCN(CC(=O)NC)S(=O)(=O)c1ccc(F)cc1Cl 48673742 GDQSRIYRIYNHBX-UHFFFAOYSA-N 322.789 1.626 0 40 DDAB Cc1cnn(CC(=O)NCC2(c3ccc4c(c3)OCO4)CC2)c1 69488976 KRQZOFPNCMDVHW-UHFFFAOYSA-N 313.357 1.768 0 40 DDAB CN1CCC[C@@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 69484966 ARKGLCBGVOGDEJ-CYBMUJFWSA-N 303.410 1.025 0 40 DDAB CC(=O)NCCNC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 77542519 KPCDYNRSSYSOQT-CQSZACIVSA-N 307.369 1.536 0 40 DDAB COCCNC(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 63395691 RQKHOKPHZVNRBL-UHFFFAOYSA-N 321.377 1.699 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69661553 NWQQRLVQUFBPMT-CYBMUJFWSA-N 310.361 1.492 0 40 DDAB O=C1C[S@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2N1 4387591 JWHRIPUDTMYJLV-GOSISDBHSA-N 313.278 1.040 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)cn1 69842448 CXKGZWSFENOAKY-NSHDSACASA-N 304.375 1.558 0 40 DDAB O=S1(=O)CC[C@H](N(CCO)Cc2cccc3ccccc23)C1 69870493 UMGJZKMTISOTLT-INIZCTEOSA-N 319.426 1.821 0 40 DDAB O=C1C[C@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)CN1CC1CC1 69917393 LXSJQYAYQGDMTO-LSDHHAIUSA-N 316.405 1.305 0 40 DDAB Cn1cc(CCC(=O)NC[C@@]2(O)CCCc3ccccc32)cn1 66929965 KZXSXSUDHCAKAN-SFHVURJKSA-N 313.401 1.693 0 40 DDAB O=S1(=O)CCC[C@H]1CN[C@@H](Cc1ccncc1)C(F)(F)F 90468265 IOHAXZNSFTVSMJ-RYUDHWBXSA-N 322.352 1.722 0 40 DDAB C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(N)=O 19161510 TYHRBBNLOKIGFT-SSDOTTSWSA-N 312.709 1.055 0 40 DDAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)cc1F 7866118 BTHMDJOYFWQJML-SSDOTTSWSA-N 322.369 1.603 0 40 DDAB CC1CCC(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)CC1 96002879 SZISURJTSCPFSE-YIZWMMSDSA-N 318.421 1.688 0 40 DDAB CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 78869472 ANAOZOLAMWGYMQ-GJZGRUSLSA-N 305.426 1.705 0 40 DDAB Cc1ccc2nc(CN3CC(n4nc(C)cc4C)C3)cc(=O)n2c1 71880681 WSWURDHZTWEYKV-UHFFFAOYSA-N 323.400 1.873 0 40 DDAB COCCOCC(=O)N(Cc1cccnc1)Cc1ccco1 71837608 PDRHSSCRVJVWQD-UHFFFAOYSA-N 304.346 1.866 0 40 DDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(C2CC2)CC1 71836776 IGCBCLJNMZMAAX-UHFFFAOYSA-N 315.373 1.291 0 40 DDAB Cc1ccc(N2CCC[C@@H](NCCOCC(F)(F)F)C2)nn1 71859787 OYRIKFGGDZBILB-GFCCVEGCSA-N 318.343 1.922 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)n2)C1 71825563 KGTNPRVJORDAFM-CQSZACIVSA-N 300.362 1.908 0 40 DDAB NC(=O)[C@@H](NCc1cccc(-n2cncn2)c1)c1ccccc1 71910804 KUNUCVMXLAGZHD-INIZCTEOSA-N 307.357 1.584 0 40 DDAB Cc1cc(C)n(-c2cncc(NCCC(=O)NC(C)C)n2)n1 72283100 YVPKFHCJLZTGGG-UHFFFAOYSA-N 302.382 1.606 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 72253490 WVJUVOOCKQAUGB-CYBMUJFWSA-N 318.381 1.056 0 40 DDAB CCNS(=O)(=O)c1ccc(CC(=O)NCC(F)(F)F)cc1 97115891 PNPZJDWIDVUYMG-UHFFFAOYSA-N 324.324 1.206 0 40 DDAB Cc1csc([C@@H](C)CNC(=O)Nc2nccn(C)c2=O)n1 97113812 QPVVFZMIIMHKIR-QMMMGPOBSA-N 307.379 1.470 0 40 DDAB C/C(=C\C(=O)NCCC(=O)N1CCN(C)CC1)c1ccccc1 97298227 XZGRINMTOHHLAM-CCEZHUSRSA-N 315.417 1.370 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CCc4cncnc4C3)cc12 95396028 HHZCJFKNZHRQJQ-UHFFFAOYSA-N 313.386 1.932 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)CCC(=O)Nc1ccccn1 95446895 DBGBFFSGMNJFPN-GFCCVEGCSA-N 313.423 1.165 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 98013075 OTFFSYUZVHYQEA-GFCCVEGCSA-N 305.300 1.777 0 40 DDAB COc1ccccc1CC(=O)N1CC[C@](O)(C(F)(F)F)C1 98013033 CQVRFAMOLLWRGM-CYBMUJFWSA-N 303.280 1.763 0 40 DDAB CNC(=O)NCC(=O)N(Cc1ccncc1)CC1CCCCC1 95976628 CQQXQQVWTQHEOF-UHFFFAOYSA-N 318.421 1.920 0 40 DDAB CC(C)N1C(=O)C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O 75109518 YHRDCZXUORMAHP-LLVKDONJSA-N 309.753 1.997 0 40 DDAB CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 89772317 USXXYXPDNUYIQH-HUUCEWRRSA-N 300.362 1.955 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccncc1 28576020 OXVKBPWYXUYTDY-LBPRGKRZSA-N 324.344 1.141 0 40 DDAB Cc1cc(NC(=O)CCN2C(=O)c3ccc(F)cc3C2=O)no1 176381533 VRIKKGDYICNQTF-UHFFFAOYSA-N 317.276 1.747 0 40 DDAB Cc1ccc(N2C(=O)N[C@@]3(O)C(=O)c4ccccc4[C@]23O)cc1 39379190 AYOKDJXRGYCPJN-IAGOWNOFSA-N 310.309 1.255 0 40 DDAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H](C)n1cnnn1)CC2 524733685 FWOLCKOPHZLEEJ-CABZTGNLSA-N 317.349 1.055 0 40 DDAB Cc1c(CCC(=O)N2CCc3ccccc3[C@@H]2CO)cnn1C 185709827 XIJSFTNZDCIGHT-KRWDZBQOSA-N 313.401 1.779 0 40 DDAB O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 71771717 GMFSADMCGQGJRC-XRGAULLZSA-N 300.358 1.372 0 40 DDAB COCc1nc(C)cc(N2CCN(c3ccc(N)nc3)CC2)n1 75047774 CSPXQFORYAAQTO-UHFFFAOYSA-N 314.393 1.235 0 40 DDAB COC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218419994 NVTZOBTVXRSMQW-FRRDWIJNSA-N 303.811 1.442 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2cccc(N3CCCC3)n2)C1 72366312 VYHVDVFQGVUGCY-ZDUSSCGKSA-N 309.435 1.506 0 40 DDAB Cc1cc(=O)[nH]c([C@H]2CCCN(C(=O)c3cscn3)C2)n1 72351255 OLRYYHDJFPOHPP-JTQLQIEISA-N 304.375 1.555 0 40 DDAB Cc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[nH]c2c1C(=O)CCC2 44889010 JFEUTUSSEJLRRD-JTQLQIEISA-N 324.402 1.101 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)n1 46087467 SWPUDMODKKJVHG-STQMWFEESA-N 319.361 1.751 0 40 DDAB CO[C@@H]1CN(c2cc(N3CCSCC3)ncn2)CC[C@@H]1C 225489653 HPMOLZIFVIENRG-QWHCGFSZSA-N 308.451 1.891 0 40 DDAB COC(=O)C1CCN(C(=O)c2nnc3ccc(C)cc3n2)CC1 46088936 KGWMWIPVSZCVAL-UHFFFAOYSA-N 314.345 1.358 0 40 DDAB CCS(=O)(=O)C1CN(C(=O)c2cccc(-n3cccn3)c2)C1 225747312 HXQNCUSOGRWWPV-UHFFFAOYSA-N 319.386 1.131 0 40 DDAB CCOc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1 225532836 RKOJBNHQTBIBIZ-UHFFFAOYSA-N 321.358 1.531 0 40 DDAB COc1cc(NS(=O)(=O)c2cnn(C)c2)ccc1Cl 193489385 CBTPLLQLJKUBGF-UHFFFAOYSA-N 301.755 1.883 0 40 DDAB c1cc(OC[C@@H]2CO[C@@H]3CN(C4CCOCC4)C[C@H]23)ccn1 96216554 JEISBUHYTHJZBP-KBRIMQKVSA-N 304.390 1.586 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@@H]32)n1 96219088 ITLYVPCWDHOHRX-OUCADQQQSA-N 317.345 1.609 0 40 DDAB CN(C)Cc1cccc(C(=O)NCc2cnc(N(C)C)n2C)c1 96421714 NDAMVLILQMUWKL-UHFFFAOYSA-N 315.421 1.478 0 40 DDAB C/C=C/CC(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 91693663 ZBPUHFGPQGJOHB-WRFKIARRSA-N 321.465 1.745 0 40 DDAB O=C(Nc1ccc(C2CC2)nn1)N1CCN(C(=O)C2CC2)CC1 533445302 NZZZDNNTIKZKFG-UHFFFAOYSA-N 315.377 1.440 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccoc2)N1Cc1ccncc1 96055687 VBWYRUNPIZYJMH-LSDHHAIUSA-N 311.341 1.690 0 40 DDAB COc1ccccc1C1(CNC(=O)NCc2ncnn2C)CC1 96439639 RYVDORJSKBKCIS-UHFFFAOYSA-N 315.377 1.355 0 40 DDAB CNc1ncnc2ncn(C[C@@H](O)COCc3ccccc3)c12 96407759 QSSNDXNWDWGMGS-CYBMUJFWSA-N 313.361 1.446 0 40 DDAB COCc1nc(N2CCCCC2)ncc1C(=O)NCC(C)C 96182430 APULACZWZWABGH-UHFFFAOYSA-N 306.410 1.999 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC(c3ccncn3)CC2)o1 332403199 ADVAVEBSMKZYNZ-UHFFFAOYSA-N 307.375 1.946 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3nccs3)CC2)O1 96061128 JMTCHNMSRVRDOQ-LBPRGKRZSA-N 309.435 1.745 0 40 DDAB COC(=O)/C(=C\c1c(C)cc(OC(C)=O)cc1C)NC(C)=O 96024397 PDNQTSIFHHZKQF-OVCLIPMQSA-N 305.330 1.879 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccoc2)cn1 96186493 JJANYQDIFZZFNA-ZIAGYGMSSA-N 314.345 1.423 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccn1)C2 96039037 XUIJUCNYITVELD-NVXWUHKLSA-N 304.390 1.668 0 40 DDAB C[C@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1C 248107214 GDAFISQZJKIQFK-NSHDSACASA-N 304.419 1.924 0 40 DDAB Oc1cc(CC[C@@H]2CN(Cc3cccnc3)CCO2)ncn1 257325725 WUDSDCUPMFUJGC-OAHLLOKOSA-N 300.362 1.411 0 40 DDAB CCCn1ccnc1CN1CCO[C@@H](c2nccnc2NC)C1 257235587 GYMJKGFTFRDRGM-CYBMUJFWSA-N 316.409 1.698 0 40 DDAB CNc1cc([C@H]2CCCN2CC2(O)CCOCC2)nc(C)n1 257217896 DBAQFGMDDQOFHC-CQSZACIVSA-N 306.410 1.505 0 40 DDAB Cc1c[nH]c([C@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)n1 257250181 JLJYBLOHRMTKQP-CYBMUJFWSA-N 321.402 1.789 0 40 DDAB O=C1CCCN1CCCC(=O)N1CCNC[C@@H]1c1ccccc1 257321871 WDPOGZFJIGSPID-MRXNPFEDSA-N 315.417 1.562 0 40 DDAB Cc1nc(CC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)cs1 257261585 LHZFOXJNYYBANJ-CYBMUJFWSA-N 318.402 1.571 0 40 DDAB O=C(c1ccc(F)cc1)N1CCOC[C@H](Cc2cncnc2)C1 257251880 JSQVOBRJEUMMOC-CQSZACIVSA-N 315.348 1.947 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cncc(C)n2)CC1 257235387 GXPVXOCTBIRCIV-MRXNPFEDSA-N 316.405 1.502 0 40 DDAB C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1ccoc1)c1ccccc1 90613185 KUEMQBHOFUGXMU-DOMZBBRYSA-N 316.357 1.697 0 40 DDAB CO[C@H]1CCN(C(=O)CCC(=O)O)C[C@H]1Cc1ccccc1 585268827 ANJSLVSGATXWSL-CABCVRRESA-N 305.374 1.957 0 40 DDAB Cn1cnc(CN2CCC[C@](O)(COc3ccc(F)cc3)C2)c1 585269001 HBCNZEWOJSEEPX-QGZVFWFLSA-N 319.380 1.965 0 40 DDAB COc1cc(CN2CC3(C[C@@H](CO)CN3C)C2)cc(OC)c1 585093861 KSMYZUZPCQBALD-CQSZACIVSA-N 306.406 1.202 0 40 DDAB CN1C[C@@H](CO)CC12CN(C(=O)CCc1ccc(Cl)cc1)C2 585093766 DXVLNJYNVNWWJW-AWEZNQCLSA-N 322.836 1.798 0 40 DDAB C[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCc2sccc2C1 46243622 HJAWKWDUKJTCDE-RYUDHWBXSA-N 319.434 1.464 0 40 DDAB C[C@@]1(c2c(F)cccc2F)NC(=O)N(CC(=O)NC2CC2)C1=O 47356635 VWLUWCIMZVSPJB-HNNXBMFYSA-N 323.299 1.010 0 40 DDAB Cc1cccc(N2N=C(C(=O)Nc3cnn(C)c3)CCC2=O)c1 47536872 LIFISQUSECTMSL-UHFFFAOYSA-N 311.345 1.850 0 40 DDAB CS(=O)(=O)c1ccc(OCc2cccc(C(N)=O)c2)cc1 69492927 FNQXLLIDBBLAEG-UHFFFAOYSA-N 305.355 1.768 0 40 DDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCCc1nccn1C 69455258 HAZWINYTBQJUNW-CYBMUJFWSA-N 320.437 1.554 0 40 DDAB CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2cccc(C)c2)C1 69895968 TZBSHODDIVRXAJ-HNNXBMFYSA-N 324.446 1.468 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)Cc1ccccc1Cl 65607477 LXLPUOVGJOLVFD-UHFFFAOYSA-N 318.826 1.628 0 40 DDAB COCC(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467364 NJWDMWFAUKMWSB-CQSZACIVSA-N 308.353 1.122 0 40 DDAB CC(=O)c1cccc(NC(=O)N2C[C@H](N3CCCC3)[C@H](O)C2)c1 72306033 APTPLQQFBVJTEU-JKSUJKDBSA-N 317.389 1.562 0 40 DDAB Oc1nc(-c2ccncc2)nc2c1CN(C[C@@H]1CCOC1)CC2 105747213 PZTHZSMFTDDWPL-LBPRGKRZSA-N 312.373 1.639 0 40 DDAB CCc1nc(NN)c2nnn(Cc3ccccc3Cl)c2n1 5002104 XNLDZKIHYRQWJF-UHFFFAOYSA-N 303.757 1.771 0 40 DDAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)COC)cc2n1 12276459 ODKLGAVYKGFUNB-ZDUSSCGKSA-N 318.377 1.697 0 40 DDAB CCCNC(=O)[C@@H]1CCN(C(=O)c2cnn3cc(C)cnc23)C1 19747302 LWWBOHFWRLJAAW-GFCCVEGCSA-N 315.377 1.026 0 40 DDAB CC(C)N(CC(=O)O)C(=O)CNC(=O)c1cc2ccccc2[nH]1 520306399 FJZXSLILVOYDRE-UHFFFAOYSA-N 317.345 1.219 0 40 DDAB CSc1nc(NC(C)C)c2cnn(CCNC(C)=O)c2n1 8941079 KGHNWYNVHWUJOY-UHFFFAOYSA-N 308.411 1.505 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(N)=O 9157243 UPRGLFOLSFUNOJ-UHFFFAOYSA-N 311.407 1.067 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2c[nH]c3ccccc23)CC[C@@H]1O 1848354811 QLKWHUXDMKQLOQ-IRXDYDNUSA-N 301.390 1.629 0 40 DDAB O=S(=O)(c1cccc2nsnc12)N1CCn2nccc2C1 238826487 DWLGLBSAWUOHDT-UHFFFAOYSA-N 321.387 1.092 0 40 DDAB CC1CCN(C(=O)[C@@]23C[C@H]2CCN3C(=O)c2cncnc2)CC1 2056225228 KLGSFOHNBKOHIN-RHSMWYFYSA-N 314.389 1.340 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)N1CC(Nc2ncccn2)C1 253473090 RJNOVLCUZVZPSA-UHFFFAOYSA-N 307.357 1.823 0 40 DDAB CN(C)[C@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@H]2CCC(=O)N21 12413920 BTPPIVIFIBWRNQ-RISCZKNCSA-N 311.744 1.662 0 40 DDAB CC(C)NC(=O)C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101078917 RJKRAAJPHVTTHG-SNVBAGLBSA-N 315.373 1.546 0 40 DDAB O=C([C@@H]1CN(c2nccs2)CCO1)N1CCC(F)(F)CC1 2086875435 HIMKQCRDZUOLBC-JTQLQIEISA-N 317.361 1.606 0 40 DDAB O=C(Cc1ccon1)N1CCN(C(=O)c2ccc(F)cc2)CC1 72868766 XDGLZADXBKSUGW-UHFFFAOYSA-N 317.320 1.341 0 40 DDAB Cc1csc(=O)n1CC(=O)NC[C@H]1Cc2ccccc2O1 33116843 XCPMTDZMHUHVCW-GFCCVEGCSA-N 304.371 1.338 0 40 DDAB CCc1nnsc1C(=O)NCCN1CCc2ccccc2C1 30318232 CPMIATNAAWZSPT-UHFFFAOYSA-N 316.430 1.889 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 65625 DZGNVWGIODILIW-LLVKDONJSA-N 305.725 1.788 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(C(N)=O)cc1 30708149 HNUFDRBOLHRIJZ-QGZVFWFLSA-N 323.396 1.458 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(OC)c3c(c2)OCCO3)CCO1 30854963 KKOPXMURAYGJFT-LBPRGKRZSA-N 307.346 1.717 0 40 DDAB Cc1ccc2[nH]c(C)c(CC(=O)NCCN3CCOCC3)c2c1 40498711 BDQPTFKBAFDXEP-UHFFFAOYSA-N 315.417 1.776 0 40 DDAB CN(CCCOc1ccccc1)C(=O)C1=NN(C)C(=O)CC1 40514156 PBOQNFGOIBLXPT-UHFFFAOYSA-N 303.362 1.522 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 40516112 XOHBSEUDLQTRTM-GFCCVEGCSA-N 308.426 1.900 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)NCCN1CCOCC1 20567975 JATJLVXZQDGKBZ-CQSZACIVSA-N 310.369 1.432 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H](C)OCc1ccccc1)C2 69770078 RZZQEHJTVJYQAV-ZDUSSCGKSA-N 314.389 1.788 0 40 DDAB C[C@@H]1CCCN2C(=O)CN(CCc3ccccc3)CC(=O)N12 1579214 SYUGDVHJQKNRMA-CQSZACIVSA-N 301.390 1.299 0 40 DDAB NC1(C(=O)O)C[C@](O)(c2ccccc2)[C@@](O)(c2ccccc2)C1 1686527 JLEWWTDDLVAJRD-ROUUACIJSA-N 313.353 1.338 0 40 DDAB O=C(c1cnccn1)N1CCC(NC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101543641 SRFBROGITJTVKI-KKUMJFAQSA-N 312.417 1.883 0 40 DDAB CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N 385750 QMEZOQCELICHIQ-UHFFFAOYSA-N 305.407 1.902 0 40 DDAB CC1(C)[C@]2(C(=O)N3CCC(C(=O)O)CC3)CC[C@@]1(C)C(=O)O2 6764383 MMJKXLMXSQEHQX-JKSUJKDBSA-N 309.362 1.432 0 40 DDAB CCC(=O)N(c1nnc(S[C@@H](C)C(N)=O)s1)C1CC1 7673034 ZHFYAQOEGKUVTM-LURJTMIESA-N 300.409 1.409 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 76045881 KQTGUQDYWIQUDR-GFCCVEGCSA-N 306.391 1.707 0 40 DDAB Cc1cccc(N2CCN([C@@H]3CC(=O)N(C)C3=O)CC2)c1C 102616032 SBPUOYLUSQGMKA-OAHLLOKOSA-N 301.390 1.183 0 40 DDAB CCN(CC(=O)NC1CCOCC1)C[C@H](O)c1ccc(C)cc1 76089699 RLKGWYGPEDGIJJ-KRWDZBQOSA-N 320.433 1.646 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 9676950 FTSVOYNOJBMOJK-UHFFFAOYSA-N 321.764 1.905 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 100634747 WGPUMASERPUING-YRBFXIGRSA-N 313.353 1.845 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 108534638 FACGFDAMQCWZQH-IRXDYDNUSA-N 318.417 1.557 0 40 DDAB COc1ccccc1CNC(=O)[C@H](C)N1CCC(OC)CC1 53898028 UMYZXDWUMWCLQO-ZDUSSCGKSA-N 306.406 1.811 0 40 DDAB COCCN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 69813378 SFJBSTJQAZWLPN-MRXNPFEDSA-N 305.422 1.080 0 40 DDAB C[C@@H](C(=O)O)N(C)S(=O)(=O)c1cccc(Br)c1 54053475 QWMAUOICMQHCLL-ZETCQYMHSA-N 322.180 1.543 0 40 DDAB CCn1c(CN[C@@H]2CCc3ncnn3C2)nc2cc(F)ccc21 69873365 NTVMWWOEYHIVEV-GFCCVEGCSA-N 314.368 1.891 0 40 DDAB Cc1ccc(C(=O)N2CCCN(Cc3nccn3C)CC2)cn1 69817426 PAJLQBKGWWMIPD-UHFFFAOYSA-N 313.405 1.472 0 40 DDAB O=C(OCC(=O)c1ccc[nH]1)c1cn(Cc2ccccc2)nn1 23349889 SYOSXWJMRGAWGS-UHFFFAOYSA-N 310.313 1.694 0 40 DDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@H]1C[C@H]1C 23893000 SCDVDSPQRGNHJX-RISCZKNCSA-N 317.389 1.619 0 40 DDAB CN(C)C(=O)Cc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 55049233 XJGULDPQDAMCNR-UHFFFAOYSA-N 315.398 1.960 0 40 DDAB CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)nc1 71857895 KYVAIDCFFQJEAO-TZMCWYRMSA-N 317.389 1.563 0 40 DDAB CN(C(=O)CN1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 23693356 LWVPETQQZGDQCF-CQSZACIVSA-N 322.430 1.085 0 40 DDAB Cc1nc(C)c([C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)s1 56487779 WFCGIBCBRGBBCK-SECBINFHSA-N 310.423 1.728 0 40 DDAB NC1=N[C@@H](c2cccc(F)c2)n2c(nc(=O)c3ccccc32)N1 22239115 LKWNYGZHPGVRBV-CYBMUJFWSA-N 309.304 1.823 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 108490392 KUTQPQRBWHXYGP-JONQDZQNSA-N 323.481 1.332 0 40 DDAB O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(Cl)cc1F 44502604 PBRPFALHZLKOME-SECBINFHSA-N 306.790 1.757 0 40 DDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC(F)(F)F 44612147 HNNBGBWZUIVKSX-UHFFFAOYSA-N 305.281 1.895 0 40 DDAB CC(C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 2065547 KAGMWEZECJNHJY-UHFFFAOYSA-N 304.799 1.391 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 83829923 AZBJHRJIGGTHMD-GFCCVEGCSA-N 319.365 1.115 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1Cc1cnn(-c2ccccc2)n1 89857644 WKCMQWSHECHKGX-AWEZNQCLSA-N 311.345 1.584 0 40 DDAB CCC[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 58291932 VKSXEXWLRIHZES-CYBMUJFWSA-N 321.421 1.733 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 58394044 YNCQXLFIVXVUOR-LSDHHAIUSA-N 310.438 1.909 0 40 DDAB CCN1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 58404740 IFWLZQDQXRRHHD-OAHLLOKOSA-N 308.447 1.938 0 40 DDAB COCCNC(=O)CN(C)C[C@@H](O)c1ccccc1Cl 36396117 NAIMYCPAJHYGHA-CYBMUJFWSA-N 300.786 1.068 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc2cn[nH]c12 89919988 BIEREVOULVZWSJ-NXEZZACHSA-N 307.375 1.211 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1 45654956 KHIQVHOPHZXEAU-GHMZBOCLSA-N 314.382 1.621 0 40 DDAB COCCOc1ccc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)cn1 89937202 XJUPBFGBDKRIQO-TZMCWYRMSA-N 307.394 1.129 0 40 DDAB COc1cc(/C=C/C(=O)N2CCN(C)C[C@H]2C)cc(OC)c1 89937694 JHDALDRUUNKDSF-URWSZGRFSA-N 304.390 1.880 0 40 DDAB CC(C)OCc1ccc(CNC(=O)CCn2cncn2)cc1 49134330 BEFTVRCBXSHTGD-UHFFFAOYSA-N 302.378 1.910 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1Cl 13725574 OJPZPDNDPMAMQY-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB O=C(CSc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1 6351797 JQMGLRINSAZYFT-VIFPVBQESA-N 319.835 1.735 0 40 DDAB Cc1ccc(Nc2n[nH]nc2C(=O)N2CCOCC2)cc1C 67284507 FDUVPXJCKDXVAW-UHFFFAOYSA-N 301.350 1.638 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 71144578 GVUUXTNWQJHSTO-JTQLQIEISA-N 318.826 1.579 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCO1 9668482 YUMSDFJDPKMKDU-DOMZBBRYSA-N 318.373 1.713 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(NCC(C)C)s1 8250877 HRDLVOJSCWSFRH-ZETCQYMHSA-N 317.440 1.542 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)c(C)c2)CC1 70040986 UEBSTCCAPFRSTD-OAHLLOKOSA-N 324.396 1.289 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)c(=O)n1C 70040790 MSRWSBAXTATYDH-ZDUSSCGKSA-N 300.362 1.195 0 40 DDAB Cc1cc(NC(=O)CSc2nnc(CN3CCCC3)o2)no1 8394627 WFDCMHXRONVHHE-UHFFFAOYSA-N 323.378 1.693 0 40 DDAB C[C@H](NC(=O)NCc1ccco1)c1ccc(S(N)(=O)=O)cc1 17115218 CICMLKQFZDEOTM-JTQLQIEISA-N 323.374 1.487 0 40 DDAB COc1cc(C(=O)O)cc(Br)c1OCC(N)=O 8469984 GFQSBYDKSAWAHV-UHFFFAOYSA-N 304.096 1.020 0 40 DDAB Cc1noc(C)c1CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 84023462 RTZCKXKYOQJNJU-CYBMUJFWSA-N 317.393 1.799 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1C 72287338 QWLSYGQOXARTLJ-OAHLLOKOSA-N 312.373 1.572 0 40 DDAB CCCC[C@H](C(N)=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC 72268653 KTKHFZPDERVQDQ-QLFBSQMISA-N 309.454 1.896 0 40 DDAB C[C@H](O)[C@@H](C)S(=O)(=O)Cc1nnc(-c2ccccc2)s1 97148196 XWYKVIVHGPRPLO-VHSXEESVSA-N 312.416 1.889 0 40 DDAB CCCOc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O 25808488 RVZURWKPJMJGHN-UHFFFAOYSA-N 319.361 1.744 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C(=O)[C@@H]1COc2ccccc21 95396620 HXLMTXVWGYEDLN-SNVBAGLBSA-N 316.279 1.300 0 40 DDAB C[C@H]1CN=C(N2CCN(C[C@@H](O)c3ccccc3)CC2)S1 79496566 CSTYDQFTPPGBGT-DZGCQCFKSA-N 305.447 1.829 0 40 DDAB COC(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3)c2)on1 95465201 ZEZBFMVKXUIQQR-UHFFFAOYSA-N 312.285 1.899 0 40 DDAB Cn1cc(NC(=O)c2cscn2)cc(Br)c1=O 88214192 FYVPNKHYYWQEKK-UHFFFAOYSA-N 314.164 1.857 0 40 DDAB CCCc1cc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)[nH]n1 95980328 UHLDYSNJUFQDBT-CQSZACIVSA-N 317.393 1.916 0 40 DDAB C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 95982937 VPXSTQKJJHYDKV-JSGCOSHPSA-N 324.446 1.915 0 40 DDAB CN1C(=O)CN(S(=O)(=O)c2cccs2)c2ccccc21 74597468 GZHYJOVXGPSCGI-UHFFFAOYSA-N 308.384 1.920 0 40 DDAB COc1ccc([C@H](CO)N(C)C(=O)NCc2ccncc2)cc1 89310240 AQUFCZOWQLUTSB-INIZCTEOSA-N 315.373 1.965 0 40 DDAB Cc1cc(S(C)(=O)=O)ccc1NCC(=O)NCc1ccco1 75138772 FOVIWNCYMLZCNK-UHFFFAOYSA-N 322.386 1.720 0 40 DDAB Cc1ccc(C(=O)NCCCN2Cc3ccccc3C2)c(=O)[nH]1 75119374 QMIXGNPPIBVSEF-UHFFFAOYSA-N 311.385 1.819 0 40 DDAB O=C(N1CC2(C1)OCC[C@H]2COc1cccnc1)C1(F)CCC1 306129756 ILYOFYSEDGTRKX-ZDUSSCGKSA-N 320.364 1.970 0 40 DDAB Cc1c(Br)c(C(=O)NCc2cccnc2)nn1C 28304239 HFMOLOGYRLNEJR-UHFFFAOYSA-N 309.167 1.816 0 40 DDAB O=C(N1CCCC1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 306127377 FXDBWYTUDWFZJI-CYBMUJFWSA-N 318.377 1.305 0 40 DDAB O=C(CSc1nc(C2CCCC2)n[nH]1)NC(=O)NC1CC1 32883964 LNZPBZQOYCRIMO-UHFFFAOYSA-N 309.395 1.543 0 40 DDAB CCc1nc(NCCN2CCOCC2)c2c(n1)c(C)nn2CC 72237831 QAAGLCJLVNQOCD-UHFFFAOYSA-N 318.425 1.461 0 40 DDAB NC(=O)CSCC(=O)NCC1(c2cccs2)CCCC1 79330427 IVDZOWCIJPVLAG-UHFFFAOYSA-N 312.460 1.895 0 40 DDAB CCOc1cc(N2CCN(C(=O)c3cccs3)CC2)ncn1 120655318 FJKVRCXFNZOJDM-UHFFFAOYSA-N 318.402 1.899 0 40 DDAB Cc1nc(N)n(C2=CC(=O)N(c3ccc(Cl)cc3)C2=O)n1 30874362 AWUSKUMFIACCAW-UHFFFAOYSA-N 303.709 1.236 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCCC1 74690068 DDAJCDSFWZQHGK-BBRMVZONSA-N 304.390 1.891 0 40 DDAB CN1CC[C@@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 75584164 LDLOYZRQPLTBGF-CYBMUJFWSA-N 300.362 1.599 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(-c3nnnn3C)cc2)C[C@@H](C)O1 72239333 PUYOUXDRSBLWDR-GHMZBOCLSA-N 301.350 1.127 0 40 DDAB COC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 79051380 YXGPLCUEAWMXIS-GHMZBOCLSA-N 322.327 1.282 0 40 DDAB O=C(NCCCNC(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1 78984326 QLYSUNCOHPUBJM-AWEZNQCLSA-N 323.368 1.424 0 40 DDAB Cn1cc([C@@]2(C)CN(c3cc(NC4CC4)ncn3)CCO2)cn1 562719395 LVFOCROEIBPVLT-MRXNPFEDSA-N 314.393 1.536 0 40 DDAB COc1ncc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cn1 49403142 FVZDKQRAZHQRLH-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB CC1(C)CN(c2ncnc3n[nH]cc23)C[C@H](C(F)(F)F)O1 522055113 ZMPPVPFJTVWEJW-MRVPVSSYSA-N 301.272 1.899 0 40 DDAB Cc1cnc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 130188078 DJHKTFNJELILAE-UHFFFAOYSA-N 322.434 1.605 0 40 DDAB O=C(O)c1[nH]nnc1[C@H]1CCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 1574423786 WDLQYVNNKWKVOH-YTWAJWBKSA-N 304.350 1.603 0 40 DDAB Cc1nn(C)cc1CN(C)c1nccc(-c2cn(C)nc2C)n1 48072045 ANHZIEVXYUNLIB-UHFFFAOYSA-N 311.393 1.864 0 40 DDAB CCNc1ncc(C2=NO[C@H](C(=O)N3CCCCC3)C2)cn1 226080501 AVZQGVRGDKYYHH-ZDUSSCGKSA-N 303.366 1.414 0 40 DDAB CCc1c(NC(=O)N[C@@H](C)C(=O)N(C)C)cnn1CC(C)C 225403067 LYBLZPCGDHSENZ-NSHDSACASA-N 309.414 1.700 0 40 DDAB Cc1nnc(C(=O)N2CCC(CCN3CCOCC3)CC2)s1 329853554 SCMNXGQFHRABNY-UHFFFAOYSA-N 324.450 1.421 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[S@@](=O)[C@H](C)[C@@H]1C)C2 96431167 GPBPSBZOSKBSKF-PPHVIZSJSA-N 321.442 1.975 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072536 LRMCXNJJUKERNN-BFYDXBDKSA-N 318.373 1.399 0 40 DDAB Cc1ccc(C[C@@H](C)NC(=O)C[C@H]2CCS(=O)(=O)C2)s1 96413920 DHGLRZCWWWHEJZ-ZYHUDNBSSA-N 315.460 1.929 0 40 DDAB O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C3CCC3)C[C@@H]12 97953309 XEUDUWOPBRXSQR-MRVWCRGKSA-N 302.378 1.162 0 40 DDAB Cc1ccnc([C@H](NS(=O)(=O)c2ccc(N)cc2)C2CC2)n1 97376023 HEKCPOJURRDXNB-CQSZACIVSA-N 318.402 1.797 0 40 DDAB COc1ccc(-c2cc(C(=O)Nc3nc[nH]n3)n[nH]2)cc1OC 95472923 YUVXPUUVPYPZRL-UHFFFAOYSA-N 314.305 1.464 0 40 DDAB O=C(NC[C@H](CO)Cc1ccccn1)[C@H]1COc2ccccc21 96454742 PBTPHKWUOKONNL-CJNGLKHVSA-N 312.369 1.525 0 40 DDAB COc1nccc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1 91355781 ZOONWCQIRGOCRT-UHFFFAOYSA-N 308.382 1.979 0 40 DDAB COc1ccc([C@H](NC(=O)CNC(C)=O)C(F)(F)F)cc1 97236065 PVNFVGOHBUIVNE-LBPRGKRZSA-N 304.268 1.551 0 40 DDAB COCCNC(=O)[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 247840283 KROVGDWREFEVMG-AWEZNQCLSA-N 320.418 1.264 0 40 DDAB O=C(COC[C@@H]1CCOC12CN(C1CCC1)C2)N1CCCC1 247744146 QCNKTXDALWXZRV-AWEZNQCLSA-N 308.422 1.269 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257312292 UNFYFUAFEZZKRD-CQSZACIVSA-N 317.393 1.224 0 40 DDAB CC(=O)N1[C@@H]2CN(C(=O)c3ccnn3C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257202192 AKVBIIIFZGZLCL-PWXKEOIMSA-N 316.405 1.424 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2cccc(OC(C)C)c2)CC[C@@H]1O 257250117 JLCFXBMSNICXSI-ROUUACIJSA-N 320.433 1.935 0 40 DDAB O=C(CCc1cccnc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257270519 MUPBPOIMXJHEAA-CQSZACIVSA-N 312.373 1.916 0 40 DDAB CCN(CC)S(=O)(=O)N1CC[C@H](c2nc(C)cc(C)n2)C1 257295987 RASMFMZUPVBKOJ-ZDUSSCGKSA-N 312.439 1.469 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)no1 257268760 MNARETHISWMAOK-YNEHKIRRSA-N 313.361 1.736 0 40 DDAB CCC(=O)c1cccc(S(=O)(=O)N(C)c2cnccn2)c1 390835397 MLNRHOGXGGEZIL-UHFFFAOYSA-N 305.359 1.894 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2cccc(C)c2)[C@@H]1O 585286043 HZGFEFHVQUWGGX-GNTUDQNXSA-N 305.374 1.241 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)[C@H]1CCCS1)[C@H](C)C2 585097948 POVPOZFLNLUQCD-VXGBXAGGSA-N 324.450 1.483 0 40 DDAB O=C(c1cncnc1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585279882 SDVIEYBYALGTIY-CJNGLKHVSA-N 315.348 1.681 0 40 DDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]3CCCC[C@H]32)CC1 49971523 GVUYGDSCZDZJHR-DZGCQCFKSA-N 307.438 1.365 0 40 DDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O 58181692 ITKBOLLQRZYTRV-INIZCTEOSA-N 319.336 1.215 0 40 DDAB C[C@H](Cn1cncn1)NS(=O)(=O)Cc1ccccc1Cl 69706299 NQUKIKARICQVQO-SNVBAGLBSA-N 314.798 1.440 0 40 DDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H](n2ccnc2)C1 69869690 AIKKNVCITMDLRS-OAHLLOKOSA-N 323.360 1.336 0 40 DDAB CN(CCNC(=O)C1CCN(C(=O)c2ccco2)CC1)C1CC1 63117783 DAVVGFQXGQJQHJ-UHFFFAOYSA-N 319.405 1.342 0 40 DDAB Cc1cc(CN(C)[C@@H]2CCCN(Cc3noc(C)n3)C2)on1 72234565 KHCQCAOVDFJWAG-CYBMUJFWSA-N 305.382 1.771 0 40 DDAB C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl 76058300 BUGIQPAGIHFNCW-KCJUWKMLSA-N 306.790 1.708 0 40 DDAB NCCCNS(=O)(=O)/C=C/c1cccc(Br)c1 95432007 SPXMHWQFUOEHAN-VMPITWQZSA-N 319.224 1.688 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC(N2CCCC2)C1 912324437 DCXJSBCNSYOTSA-GQCTYLIASA-N 300.358 1.735 0 40 DDAB COc1cccc(C(=O)NCCOC(=O)c2cccnc2)c1 5527437 LUSGBFNXQKLGJH-UHFFFAOYSA-N 300.314 1.677 0 40 DDAB Cc1cnn(CC(=O)Nc2cc(C)nn2Cc2ccncc2)c1 19574591 PVXXMSZNEOAVFD-UHFFFAOYSA-N 310.361 1.778 0 40 DDAB Cc1nn(C(C)C)cc1S(=O)(=O)NC[C@H](C)N1CCCC1 19583315 OSBOVFUYKOIIGG-LBPRGKRZSA-N 314.455 1.535 0 40 DDAB COCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCCC3=O)C1 19700877 AFKCSKWSSFIUBX-LLVKDONJSA-N 303.362 1.348 0 40 DDAB CCn1c(SCC(N)=O)nnc1-c1cc(OC)cc(OC)c1 19928861 KBWQOCUXRMVAQB-UHFFFAOYSA-N 322.390 1.560 0 40 DDAB Cc1cc(OC2CN(C(=O)c3sc(C)nc3C)C2)cc(=O)o1 206960243 IKEKJHDAIATNSJ-UHFFFAOYSA-N 320.370 1.925 0 40 DDAB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(C)CC2)c(OC)c1 22851680 NQIPUHHDQRNNNE-APHBUQMISA-N 320.433 1.715 0 40 DDAB CS(=O)(=O)n1nc(OC(=O)c2ccc(Cl)cc2)cc1N 4562885 NSBSRDVBRXKWQG-UHFFFAOYSA-N 315.738 1.146 0 40 DDAB CSc1nc(N2CC[C@](F)(C(N)=O)C2)cc(C(C)(C)C)n1 1888849801 NGTFKRHDEFUIKA-CQSZACIVSA-N 312.414 1.900 0 40 DDAB Cc1cnccc1OCC1CCN(S(=O)(=O)C2CC2)CC1 1889136268 GETSMZQOIXJEAI-UHFFFAOYSA-N 310.419 1.973 0 40 DDAB O=C(N[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CC1 1058097078 GNVIOQJGMDEPND-JTQLQIEISA-N 314.311 1.990 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C 32845429 LGJRTRBPYQSCMV-LBPRGKRZSA-N 314.389 1.825 0 40 DDAB CC(C)N1C[C@@]2(CCN(C(=O)CC3CCC3)C2)COCC1=O 2037983624 AOZCMAFSAKPVTN-KRWDZBQOSA-N 308.422 1.663 0 40 DDAB CN1CCCC[C@]2(CN(C(=O)c3ccccc3F)CCO2)C1=O 2037985046 WDTPEWMPJJWISZ-KRWDZBQOSA-N 320.364 1.679 0 40 DDAB O=C1CCC[C@@]2(CN(CC3CC3)CCN(C(=O)C3(F)CC3)C2)N1 1565550031 NDNWCOMATRWKES-INIZCTEOSA-N 323.412 1.082 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1cccs1 9571053 KYLIAMHPOZUBEX-UHFFFAOYSA-N 303.322 1.793 0 40 DDAB FC(F)(F)c1nnc2n1CCN(c1ncc(Cl)cn1)C2 267032278 BCRNXSKSYJDAPR-UHFFFAOYSA-N 304.663 1.761 0 40 DDAB Cn1nnc2c1CCN(C(=O)c1cc[nH]c1)[C@@H]2COCC1CC1 2055750806 ZUFWBQQTKFHFOJ-CQSZACIVSA-N 315.377 1.309 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2cccc(C)n2)C1 2055772475 MGDHXLKEQSOHCG-QGZVFWFLSA-N 313.405 1.324 0 40 DDAB CN1C(=O)[C@@H]2[C@@H](c3ccccc3)NN(Cc3ccccc3)[C@H]2C1=O 102871078 OMWIXGLNODRCFR-BRWVUGGUSA-N 321.380 1.732 0 40 DDAB O=C(NCCOc1cccc2cccnc12)c1ccc(=O)[nH]c1 44455621 ZLMYDWYXMLHPNU-UHFFFAOYSA-N 309.325 1.732 0 40 DDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cccnc1)CC2 575415726 YHUVKJHMJPAMCI-GFCCVEGCSA-N 310.375 1.045 0 40 DDAB C=CC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 585291062 IZIHHZOWBQHTRV-AWEZNQCLSA-N 309.373 2.507 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC=CCC2)CC1 40490255 KIVAJQYWVSBVPS-LBPRGKRZSA-N 300.424 1.273 0 40 DDAB COc1ccc2occ(/C=C3\NC(=S)NC3=O)c(=O)c2c1 100689233 AEPQHDASDOBSAW-WMZJFQQLSA-N 302.311 1.147 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)CN2CCC(CC(N)=O)CC2)c1 40540755 LSEBPYSZOCXPNB-MRXNPFEDSA-N 320.433 1.631 0 40 DDAB Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2 32097158 JDAVAIQNKVCEQV-UHFFFAOYSA-N 309.123 1.333 0 40 DDAB COC(=O)C1=NN[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccccc1 1096692 WLDGRWOPCYIIHR-AAEUAGOBSA-N 304.346 1.613 0 40 DDAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)[C@@H](c1ccccc1)n1cnnn1 101343511 HHYGYMQXGYDRPP-ARLBYUKCSA-N 309.373 1.591 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1 10042677 UZEBKIMRMHULGU-UHFFFAOYSA-N 307.331 1.189 0 40 DDAB COc1c(C=O)c(CCN(C)C(=O)NC(C)C)cc2c1OCO2 491317 JSADAYCOEDFIAX-UHFFFAOYSA-N 322.361 1.829 0 40 DDAB biogenic O=C(NCc1ccc2c(c1)OCO2)N1CCC2(CC1)OCCO2 32923860 SYAKVHWIASFLOV-UHFFFAOYSA-N 320.345 1.464 0 40 DDAB CN(C)C(=O)c1cccc(CNc2ncnc3c2cnn3C)c1 46484433 CNPNCPYOSPCFNM-UHFFFAOYSA-N 310.361 1.677 0 40 DDAB COc1cc(CNC(=O)NCC(=O)N2CCCC2)cc(OC)c1 58142759 ADIFTIWKENVGNZ-UHFFFAOYSA-N 321.377 1.125 0 40 DDAB C[C@H](OC(=O)c1ccccc1O)C(=O)NC(=O)NC(C)(C)C 9752062 PWFWXXWHMMYMLM-VIFPVBQESA-N 308.334 1.562 0 40 DDAB CN1CC[C@H](C(=O)NC[C@@H](C2CCCCC2)N(C)C)CC1=O 46948964 FFGLCBOXOIWTGN-GJZGRUSLSA-N 309.454 1.482 0 40 DDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCC(=O)O)CC1 26478296 PCXAITGDJOJZGM-UHFFFAOYSA-N 300.355 1.224 0 40 DDAB COc1cccc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 22591005 WINLXILPGIJZSM-AWEZNQCLSA-N 317.433 1.480 0 40 DDAB CC(C)=CCN1CCN(Cc2cn(C)nc2C)C[C@@H]1CCO 22913235 YUXXDZBTVIRPOR-KRWDZBQOSA-N 306.454 1.563 0 40 DDAB O=C(CCNc1ncnc2cccc(F)c12)N1CCOCC1 54056547 RSUJIHRUVKNCDV-UHFFFAOYSA-N 304.325 1.430 0 40 DDAB CC[C@](C)(CNC(=O)N(C)Cc1cnn(C)c1)N1CCOCC1 42343639 QUABDPKDGRVMKG-MRXNPFEDSA-N 323.441 1.062 0 40 DDAB Cn1ncc2c(-n3nnc(-c4cccc(Cl)c4)n3)ncnc21 12486143 GUZVVDCGJQJSJC-UHFFFAOYSA-N 312.724 1.659 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1Cc1ccco1 23296701 AKMQCGSSYOCZCS-UHFFFAOYSA-N 301.346 1.318 0 40 DDAB Cc1oncc1C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107467583 GCZKWJBCEUEZOW-KKUMJFAQSA-N 306.362 1.782 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 42985858 NGIAHDPJLGFSDF-JTQLQIEISA-N 300.355 1.020 0 40 DDAB Fc1cnc(N[C@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1 107786179 VMJFDOFAMRDEOX-IUODEOHRSA-N 316.340 1.256 0 40 DDAB S=C(NC[C@H]1CCCO1)Nc1ccc(N2CCOCC2)nc1 55031836 LXGUVUCHTQPOSM-CYBMUJFWSA-N 322.434 1.384 0 40 DDAB Cc1cnc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)o1 107059161 MWAWQKMPIZIULW-ABAIWWIYSA-N 306.366 1.135 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C)C[C@H]2C)c1 107581066 RILIKCRSMRCDNR-OAHLLOKOSA-N 310.463 1.713 0 40 DDAB CC(C)(NC(=O)COc1ccc(Cl)c2cccnc12)C(N)=O 57258242 LWQSLNBPCCPJIL-UHFFFAOYSA-N 321.764 1.647 0 40 DDAB Cc1nc(C2(NC(=O)CN3CCSC3=O)CCCCC2)no1 26491603 BVKDWWCLCNMJRK-UHFFFAOYSA-N 324.406 1.822 0 40 DDAB COc1ccc(CCNC(=N)NCc2nnc3n2CCC3)cc1 58185279 KQKKGZKPSRJLBY-UHFFFAOYSA-N 314.393 1.090 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CC=C(c2ccccc2)CC1 44873321 DZHSCWSQJYVTEQ-HNNXBMFYSA-N 305.399 1.737 0 40 DDAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1CCS(=O)(=O)C1 44891373 XMZNWJOILGFOGK-GFCCVEGCSA-N 317.370 1.517 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCC(c2cc3ccccc3[nH]2)CC1 58289381 TWWZEKIAALXVOD-LLVKDONJSA-N 314.389 1.931 0 40 DDAB OC[C@H](CNC[C@H]1CNc2ccnn2C1)Cc1ccc(F)cc1 58299037 XYALLSVIVFXJGG-GJZGRUSLSA-N 318.396 1.505 0 40 DDAB COc1ccc(CNc2ncnc3[nH]cnc23)cc1NC(C)=O 58223166 VWGCRRXGYYEVDZ-UHFFFAOYSA-N 312.333 1.932 0 40 DDAB Cc1ccccc1OCCCC(=O)NC[C@H]1CN(C)CCO1 58331042 WCNATKFSJYHVCF-HNNXBMFYSA-N 306.406 1.601 0 40 DDAB Cc1ccc(-c2nc(CC(=O)NCCC(=O)N(C)C)cs2)o1 58307197 VLFIOYNXZUURIE-UHFFFAOYSA-N 321.402 1.849 0 40 DDAB COc1ccc2nc(SCCN3C(=O)CNC3=O)[nH]c2c1 28007205 DUXWACRTNGJNTD-UHFFFAOYSA-N 306.347 1.215 0 40 DDAB Cn1cc(CCNC(=O)NC[C@H]2COc3ccccc3C2)cn1 45128546 GZFJLHZTPFGMLG-AWEZNQCLSA-N 314.389 1.513 0 40 DDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3388397 RQIVJDVFIMQNTA-UHFFFAOYSA-N 312.325 1.889 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 7990696 PKZMBTVKEBUTQB-TVQRCGJNSA-N 301.346 1.525 0 40 DDAB COC(=O)c1cc(-c2ccc(C)cc2)nc2nc(O)[nH]c(=O)c12 36613091 UWXVJFLEYPRLGS-UHFFFAOYSA-N 311.297 1.786 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@H]2CCN(C3CC3)C2)cs1 48251512 JONXPBZUTCMNKV-SNVBAGLBSA-N 308.407 1.316 0 40 DDAB CCOCCNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 45644318 IUKHWKWSAHHDBZ-UHFFFAOYSA-N 318.377 1.642 0 40 DDAB C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(F)c1)n1cccn1 28996051 UJRAOZHMASZRCO-NSHDSACASA-N 304.325 1.680 0 40 DDAB C[C@H]1CN(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)O1 48304251 PKVCBYUZSGWVBT-QWRGUYRKSA-N 318.377 1.294 0 40 DDAB O=C(NCCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCOC1 48314590 LDKQOKFVLSMUKG-HNNXBMFYSA-N 314.389 1.751 0 40 DDAB Nc1nc(SCC(=O)Nc2ncc(Cl)cc2Cl)n[nH]1 7989843 JDUJXCGENIFSLF-UHFFFAOYSA-N 319.177 1.820 0 40 DDAB NC(=O)Cn1c(SC[C@H]2CCCO2)nnc1-c1cccs1 12815358 JRCCLYNFYQPWQH-SECBINFHSA-N 324.431 1.763 0 40 DDAB Cc1cc(C)c(CNC(=O)c2c(C)nn(C)c2Cl)c(=O)[nH]1 12826032 YXHHMWXXDHMGSO-UHFFFAOYSA-N 308.769 1.617 0 40 DDAB COc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2C)c(OC)c1OC 62715978 NGSHHQFBVBUOOQ-BXKDBHETSA-N 309.318 1.316 0 40 DDAB O=C1CC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)N1 69808703 GIURRDMHXDCJPD-ZDUSSCGKSA-N 322.792 1.741 0 40 DDAB COCCN1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 69843104 DFBBIYACNHZJTA-HNNXBMFYSA-N 311.470 1.335 0 40 DDAB Cc1[nH]n([C@H]2CCS(=O)(=O)C2)c(=O)c1CCc1ccccc1 61718716 PQPQXSQQZRKPTN-AWEZNQCLSA-N 320.414 1.630 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1cscn1 65566899 PZLITSYEJZXFLS-UHFFFAOYSA-N 307.423 1.311 0 40 DDAB CC(C)CCNC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O 6375100 ZAEPANNDCGFWMM-UHFFFAOYSA-N 317.345 1.155 0 40 DDAB Cn1ccnc1SC[C@H](O)c1ccc(S(C)(=O)=O)cc1 65539936 LQFOCYKMGLYCNF-LBPRGKRZSA-N 312.416 1.649 0 40 DDAB Cc1ccc(OCC(=O)NCCN2CCN(C)CC2)cc1C 65565966 NMLOLILFENGKQK-UHFFFAOYSA-N 305.422 1.046 0 40 DDAB CNC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1 14113426 FFUUJRZPPMJNMX-UHFFFAOYSA-N 317.389 1.681 0 40 DDAB CCOC(=O)N1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 14140783 JMAJIRCDPXCRPB-ZDUSSCGKSA-N 309.341 1.126 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 65918581 SSZXWRROYUDMBZ-LLVKDONJSA-N 314.389 1.931 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCCCC2)cc1 26102161 KRQUBGOQGQUYBS-UHFFFAOYSA-N 324.446 1.970 0 40 DDAB NC(=O)C1CCN(c2ncnc3sc4c(c23)CCC4)CC1 5862083 IDVPMJLSPVYKTM-UHFFFAOYSA-N 302.403 1.882 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1ncccn1 6913770 FYMHPWDLMXPCST-GHMZBOCLSA-N 308.407 1.973 0 40 DDAB CCCNC(=O)c1nsc(C(=O)NCc2ccncc2)c1N 67334872 PREGUBJJUGDMSQ-UHFFFAOYSA-N 319.390 1.190 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)C2CC2)c1C 7482553 OIFSRJCZRHGAPQ-VIFPVBQESA-N 306.362 1.906 0 40 DDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1=O 15842645 JGZVEZUAUVVARY-LLVKDONJSA-N 322.386 1.235 0 40 DDAB COc1ccc(NC(=S)NCCc2c[nH]cn2)c(OC)c1 9191574 HYGVFFROFRFPLB-UHFFFAOYSA-N 306.391 1.956 0 40 DDAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1nc[nH]n1 19850102 HKLHGTOGKKJNCM-UHFFFAOYSA-N 316.342 1.370 0 40 DDAB C[C@H]1CN(C(=O)CCc2ccsc2)CCN1S(C)(=O)=O 96494127 DZAVKRCHEFAGKC-NSHDSACASA-N 316.448 1.173 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(C3CCCC3)CC2)cn1 71841351 ZUAONAGLCHZZCL-HOTGVXAUSA-N 302.422 1.610 0 40 DDAB O=C(c1cccnc1Cl)N(C1CC1)[C@H]1CCS(=O)(=O)C1 71829017 SMYOOUWGIFUXJV-JTQLQIEISA-N 314.794 1.527 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 71871140 GVCVUMNYLNSPDQ-WFASDCNBSA-N 306.431 1.228 0 40 DDAB CC(C)C[C@H](C)n1nccc1NC(=O)[C@@H](C)S(C)(=O)=O 71903421 SKQLQQDGXOETIJ-WDEREUQCSA-N 301.412 1.862 0 40 DDAB COC(=O)[C@]12CCC[C@H]1CN(Cc1c(C)nn(C)c1OC)C2 97084934 UJTLNXDICKDJQN-LRDDRELGSA-N 307.394 1.512 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2ccn[nH]2)C1 72282834 YOOXCXISQCMTTC-VXGBXAGGSA-N 302.378 1.127 0 40 DDAB O=C(Cc1ccn[nH]1)N1CCN(Cc2ccc(Cl)cn2)CC1 97107814 BWRHXXTUXFSOJK-UHFFFAOYSA-N 319.796 1.345 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)CCCNc2ncccn2)no1 76043536 LKPYCAAJSBYKNT-LBPRGKRZSA-N 316.365 1.724 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3CC=CC3)CCO2)n1 76046419 IRKPRYHQPAOMTM-GFCCVEGCSA-N 304.394 1.968 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCc2ccccc2C1 84582003 VWOLKGPFCWSOKG-UHFFFAOYSA-N 313.401 1.909 0 40 DDAB O=S(=O)(CC1CC1)N1CCC[C@H]1c1nnc2n1CCCCC2 95397132 AXLNSJPWAGLFSE-ZDUSSCGKSA-N 324.450 1.881 0 40 DDAB CCc1nc(CN(C)[C@@H]2CCN(CCn3cccn3)C2)no1 95961633 SBMWQDJOFQENKM-CYBMUJFWSA-N 304.398 1.035 0 40 DDAB O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)NCC2CC2)C1 95999918 YZQJCCQBPDEAOR-HNNXBMFYSA-N 322.430 1.621 0 40 DDAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1nccnc1N 74467071 PBMFNWPPQDLAJX-UHFFFAOYSA-N 317.296 1.806 0 40 DDAB CN(C(=O)NCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 89335178 DJCWILCGVQIUHO-CYBMUJFWSA-N 314.382 1.197 0 40 DDAB C[C@@H]1CN(CCCNC(=O)NCc2cccc(O)c2)C[C@@H](C)O1 79727963 XUZIZSCPYLOYNF-ZIAGYGMSSA-N 321.421 1.691 0 40 DDAB Cn1ccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cc1=O 89756643 KHOISNQFYFYMFC-GFCCVEGCSA-N 314.345 1.623 0 40 DDAB O=C(c1ccc(OCC2CC2)nc1)N1CCN(C2CC2)CC1 89794205 XDTSLGABSDLTTN-UHFFFAOYSA-N 301.390 1.791 0 40 DDAB C[C@@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)CN1CCOCC1 74372345 HTCIZAMJQSEBPJ-HRCADAONSA-N 307.438 1.562 0 40 DDAB O=S(=O)(O)CCCCOC[C@H]1COc2cscc2O1 72266075 OIRKLPHRLOQDLU-VIFPVBQESA-N 308.377 1.573 0 40 DDAB O=C(O)CN[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79391529 LISLRYFKTCKXTM-UONOGXRCSA-N 306.362 1.898 0 40 DDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)Cc1cccs1)C2 564057010 ZZCKWQJEOSVTSK-GFCCVEGCSA-N 319.430 1.462 0 40 DDAB O=S(=O)(Nc1ccccc1N1CCOCC1)c1cccnc1 78773349 ALSWNUQNIOTUQE-UHFFFAOYSA-N 319.386 1.719 0 40 DDAB COC(=O)c1ccccc1-c1ccc(CN2CCNC(=O)C2)o1 132109294 VOZZPKHCCRNHJZ-UHFFFAOYSA-N 314.341 1.665 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCCO2 49705997 MWJXURRQGOLBNL-UHFFFAOYSA-N 316.379 1.209 0 40 DDAB Cn1cc(C(=O)NCCc2ccccn2)c2ccccc2c1=O 79484302 VVCBOTGNXDLYCR-UHFFFAOYSA-N 307.353 1.906 0 40 DDAB Nc1nccc([C@H]2CCCN(C(=O)[C@@H](N)c3ccccc3)C2)n1 72355907 PWKMXJUPFPRKKA-ZFWWWQNUSA-N 311.389 1.465 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 78447567 GPWMJEZTXKNPHM-UKRRQHHQSA-N 317.389 1.218 0 40 DDAB COCCN(Cc1ccccc1)C(=O)c1ccn(C)c(=O)c1 44599493 VLKZOVGYOGGTSK-UHFFFAOYSA-N 300.358 1.674 0 40 DDAB CCOC(=O)N1CCN(C(=O)COc2cc(C)ccc2C)CC1 48088886 SFLZIOXTTXRDLO-UHFFFAOYSA-N 320.389 1.983 0 40 DDAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 225605893 PPEVERYJMRPKIB-MRXNPFEDSA-N 308.378 1.940 0 40 DDAB O=S(=O)(CCc1ccccc1)NC[C@H](O)c1cccs1 49923683 AJFHEPVORSBKCS-ZDUSSCGKSA-N 311.428 1.944 0 40 DDAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)[nH]1 223598236 OHAUEGIUXUTLAX-KGLIPLIRSA-N 302.403 1.683 0 40 DDAB O=C(CCNC(=O)c1nnc2ccccc2n1)Nc1ccncc1 225558179 NQXHUPXOHKSTEG-UHFFFAOYSA-N 322.328 1.178 0 40 DDAB CCOCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 339563773 PZTXWEVUEMDYJE-UHFFFAOYSA-N 306.406 1.969 0 40 DDAB COCCN1CC[C@]2(CCCN(Cc3ccccn3)C2)C1=O 96223976 ZGZMPKLMRXGKHE-KRWDZBQOSA-N 303.406 1.543 0 40 DDAB Cc1c(C(=O)N2CCOC[C@H](O)C2)[nH]c2ccc(Cl)cc12 96152976 AEHJBBSAKBCUNQ-LLVKDONJSA-N 308.765 1.963 0 40 DDAB CCS(=O)(=O)C[C@@]1(c2cccc(Cl)c2)OC[C@@H](CO)O1 96531789 MJXOJPHTXAILHP-CHWSQXEVSA-N 320.794 1.335 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)s1 333116470 UEJXCUZMPGHZKV-TXEJJXNPSA-N 316.448 1.198 0 40 DDAB COc1ccc(C)cc1CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 331443164 XUQIVHHRFMYXBA-YUELXQCFSA-N 316.401 1.672 0 40 DDAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2C(=O)[C@H]1CCCO1 96252251 SPGSGAVFVMOTJN-IJEWVQPXSA-N 319.405 1.503 0 40 DDAB CCOC(=O)c1nn(CC)c(N)c1I 95094618 VPJPVRDJYCJTBN-UHFFFAOYSA-N 309.107 1.267 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C4CCOCC4)C[C@@H]23)n1 96100504 GNTDYQGVGIWDGA-NFAWXSAZSA-N 307.394 1.294 0 40 DDAB Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CC3)C2)cs1 96108753 UCKRHKSKUTXHME-CZUORRHYSA-N 322.430 1.967 0 40 DDAB C[C@H](O)C(=O)N1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 96501706 XFTYZLIQWVFCOE-NSHDSACASA-N 324.808 1.300 0 40 DDAB Cn1ccnc1CN1C[C@H]2OCC(=O)N(CC3CCCC3)[C@@H]2C1 96246404 MHQSCKUWXLHESU-HUUCEWRRSA-N 318.421 1.022 0 40 DDAB CCOC(=O)c1cnn(-c2ccnc(N3CCOCC3)c2)c1 95704768 IQBJNSZDKGZSGR-UHFFFAOYSA-N 302.334 1.281 0 40 DDAB O=C(NCCCn1cccn1)c1ccc(=O)n(-c2ccccc2)c1 96192067 REPHLHUJMXZJLB-UHFFFAOYSA-N 322.368 1.854 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2cccc(F)c2)C1 96419150 RROPQURPLINPIX-KBPBESRZSA-N 313.394 1.840 0 40 DDAB O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccccn1)C2 96048706 HKXZMQVZWSUZHU-SFHVURJKSA-N 323.400 1.891 0 40 DDAB CC1CCN(C[C@H](O)COc2ccc(-n3cncn3)cc2)CC1 95439062 XLYMXWYNJSUTFQ-INIZCTEOSA-N 316.405 1.739 0 40 DDAB O=C(N[C@H](CO)C(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 252494286 NRAGGSMVWLGJNK-BZUAXINKSA-N 316.401 1.426 0 40 DDAB Cn1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(N)=O)s2)n1 257307869 TULAYBNXAHLGKE-JTQLQIEISA-N 319.390 1.343 0 40 DDAB Cc1nc[nH]c1CN1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257294019 QSBYPWZPWWAPGI-LBPRGKRZSA-N 323.422 1.572 0 40 DDAB C[C@]1(C(=O)NCCCN2CCCCCC2=O)C[C@H]2CC[C@H]1O2 252586891 UHELXZRLDKQGQZ-CPUCHLNUSA-N 308.422 1.853 0 40 DDAB Cc1onc(C(C)C)c1C(=O)N1CC[C@@H]2NC(=O)CO[C@H]2CC1 257254538 KDOLEORMOMTZKJ-RYUDHWBXSA-N 321.377 1.226 0 40 DDAB CN(C)c1cccc([C@H]2CN(Cc3nccn3C)CCO2)n1 257234701 GUTMOAIHBJWOHP-CQSZACIVSA-N 301.394 1.455 0 40 DDAB CCOCC(=O)N1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 257205291 AYKFQNYJJWCRIN-OAHLLOKOSA-N 305.378 1.418 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@H](c3nc(C)c[nH]3)C2)n1 257252966 JWYADRRYTCSBBL-NSHDSACASA-N 303.366 1.612 0 40 DDAB CC(=O)N1CCC(c2cncc(N3C[C@H](C)OC3=O)n2)CC1 257287280 PPHANCBIFQFNDT-JTQLQIEISA-N 304.350 1.548 0 40 DDAB CC(=O)N1CCN(Cc2ccccc2F)C[C@H](C(=O)N(C)C)C1 257329410 XJWVGXPBQDSCSH-HNNXBMFYSA-N 321.396 1.194 0 40 DDAB N[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252516113 QDGHABKKIPLKIS-BZUAXINKSA-N 317.366 1.682 0 40 DDAB CCc1nccn1CCC(=O)N1CCOC[C@@H]1c1ccn[nH]1 257310196 UECAAXAFCWTUCR-CYBMUJFWSA-N 303.366 1.159 0 40 DDAB c1cnc(O[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)cn1 253595691 HNGXUIVBFWDODG-AWEZNQCLSA-N 305.378 1.268 0 40 DDAB O=C(NC[C@@H](C(=O)O)c1ccccc1)c1ccnc(C2CC2)n1 362773559 MOYPDDBQUQOXQJ-CYBMUJFWSA-N 311.341 1.952 0 40 DDAB Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 96025640 HOSNYFDFRYLXGI-UHFFFAOYSA-N 306.347 1.106 0 40 DDAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1cnn(-c2ccccc2)n1 96122973 CGSAEQAZCJXMKU-AWEZNQCLSA-N 324.344 1.678 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(F)c(F)c1)[C@H]2C 585096922 FPAGZFZLPFETLY-VIFPVBQESA-N 322.315 1.920 0 40 DDAB Cn1ccc(CN2CCC[C@](O)(COc3cccc(F)c3)C2)n1 585269290 OHXPVNQFMDUVAW-QGZVFWFLSA-N 319.380 1.965 0 40 DDAB COCCc1cnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@H]2C 585098705 XQUMVUCGGSMPAN-AAEUAGOBSA-N 309.435 1.871 0 40 DDAB Cc1nnc2n1CCN([C@@H](C(=O)NC1CC1)c1ccccc1)C2 69461731 MQCLMZWQPRZPPQ-MRXNPFEDSA-N 311.389 1.422 0 40 DDAB CCCN1CC[C@@H](CNC(=O)NCc2c(C)cc(C)[nH]c2=O)C1 75122584 LAIYCONIJPTZOY-AWEZNQCLSA-N 320.437 1.523 0 40 DDAB COc1nc(OC)nc(N(C)Cc2ccc3c(c2)OCCO3)n1 78903557 QAPPEKKUZAJUTC-UHFFFAOYSA-N 318.333 1.296 0 40 DDAB CN(OCc1ccccc1)[C@@H]1CCN(c2cnn(C)c2)C1=O 90565737 ZIECEKJYRSFPGE-OAHLLOKOSA-N 300.362 1.589 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(Cl)cc3)C2)n1 1775967371 OSNVAXNBSNSJMJ-UHFFFAOYSA-N 317.776 1.977 0 40 DDAB CCc1nnc(-n2nc(C)cc2C)n1NC(=O)C(F)(F)F 5318730 VJIGKNKDTSNZTI-UHFFFAOYSA-N 302.260 1.275 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)NC(C)C)c(=O)c1n2C 12183584 JUBMKCUNVBTHFD-UHFFFAOYSA-N 302.334 1.314 0 40 DDAB O=C(Cc1ccccc1)Nc1cccc(C(=O)Nn2cnnc2)c1 14405819 ZWPPWDYZJQCIRS-UHFFFAOYSA-N 321.340 1.843 0 40 DDAB Cc1nc(CC(=O)N2CCC(CC(=O)N(C)C)CC2)cs1 19748497 FHZWIFHALUVTEL-UHFFFAOYSA-N 309.435 1.711 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)C1(c2cccs2)CCCC1 107287300 VFPQTPZVQWNJJR-AVGNSLFASA-N 309.431 1.808 0 40 DDAB O=C(NC[C@H]1CCCO1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373790 WLUMZGDYYJHYKV-GXTWGEPZSA-N 321.352 1.409 0 40 DDAB COC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193571 DKMAKXIIBIQGDS-PWSUYJOCSA-N 309.341 1.265 0 40 DDAB O=C(C1CC1)N1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 13266333 YTFPQOGSIJFJKF-LBPRGKRZSA-N 312.377 1.384 0 40 DDAB COc1ccnc(N2CCC[C@H](N(C)c3ncc(C)cn3)C2)n1 1889096882 WMOFBAHPIRHOHB-ZDUSSCGKSA-N 314.393 1.689 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3cscn3)C2)nc1 1889122644 SOFLWMYCWQWHDL-LBPRGKRZSA-N 317.418 1.983 0 40 DDAB Cc1cnccc1O[C@H]1CCN(c2ncnc3c2cnn3C)C1 1889138936 VATFQCZBRCLERR-LBPRGKRZSA-N 310.361 1.724 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CNC2CCN(S(C)(=O)=O)CC2)o1 30656984 KZSUYVXWPULWCT-SMDDNHRTSA-N 312.435 1.917 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)cn1 1775995130 DBEPDOFSYSJLBE-CYBMUJFWSA-N 313.361 1.506 0 40 DDAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)CCF)C1)CC2 1614935778 RVRCAYKXYCHCDW-INIZCTEOSA-N 307.369 1.466 0 40 DDAB Cc1cnc(C)c(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087139268 FAHVDHLTWPBJBY-UHFFFAOYSA-N 324.450 1.486 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ncnc(C)c1C)[C@H]2C 1565555255 DFDLGTKSPQJUIK-LBPRGKRZSA-N 315.377 1.653 0 40 DDAB CCN(CCO)C(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 4359954 VNTKIOAZSLNDQC-CYBMUJFWSA-N 305.378 1.124 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(CC2CC(F)(F)C2)CC1 2086865333 KUWQPWUIBBRBMH-LBPRGKRZSA-N 303.397 1.562 0 40 DDAB CC(C)CCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 9317365 VTIOCFSAQILVQY-HNNXBMFYSA-N 315.373 1.889 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 50246616 KAYSFTNNLMWKPP-MRVPVSSYSA-N 309.218 1.963 0 40 DDAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 100574217 LPCIQFTWJPPFLL-XUJVJEKNSA-N 318.354 1.571 0 40 DDAB NC(=O)[C@@H]1CCCN1c1nn2cc(-c3ccccc3)nc2s1 51211214 LLUNBSPNWWLEBT-LBPRGKRZSA-N 313.386 1.912 0 40 DDAB Cc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1C 75690 IGHXYDWLUYVBMA-UHFFFAOYSA-N 303.391 1.989 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 220811 LXTOCXCBURQHBZ-GFCCVEGCSA-N 314.407 1.348 0 40 DDAB C[C@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)c1ccc2c(c1)CCC2 51570842 MNXDSWJUBSMKEF-NHYWBVRUSA-N 315.369 1.816 0 40 DDAB CC(C)n1cnn(CN2CCC(NC(=O)C3CC3)CC2)c1=S 29586859 GJZJAXWWXDHJOE-UHFFFAOYSA-N 323.466 1.943 0 40 DDAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cn[nH]c2)c1 29677107 VIDWWCAZFPSVPU-UHFFFAOYSA-N 308.363 1.814 0 40 DDAB COc1ccc2[nH]cc(CCNC(=O)c3nc(C)no3)c2c1 20761399 BAHOFPLULDITLM-UHFFFAOYSA-N 300.318 1.840 0 40 DDAB biogenic O=C(O)/C=C/C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 4966783 CEBRPVBGXKXFOS-AATRIKPKSA-N 305.305 1.888 0 40 DDAB CCNCc1cc(Br)c(OCC(N)=O)c(OC)c1 8227121 LVXPWNOTDINFEL-UHFFFAOYSA-N 317.183 1.431 0 40 DDAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(O)cc1O 8560767 LZJBGAMJOSQHBQ-UHFFFAOYSA-N 321.354 1.975 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2occc2C)c2ccccc2O1 21669511 BFXROVLMQRQPPQ-ZDUSSCGKSA-N 300.314 1.742 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 100616343 RHWMYSAVEUCXPV-QXKUPLGCSA-N 313.353 1.834 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)o1 32914168 GGICURUIKLHYQI-UHFFFAOYSA-N 312.322 1.888 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncnc3[nH]ncc23)C1 101355984 VBMWUVSZOVYKTE-QWRGUYRKSA-N 308.345 1.138 0 40 DDAB O=C(Nc1ccncc1)N[C@@H]1CCCc2c1cnn2CCO 47125391 MTQUMWNWZZYHIQ-CYBMUJFWSA-N 301.350 1.470 0 40 DDAB COC(=O)c1cc(COC(=O)CN(C)c2ncccn2)oc1C 23173351 UNJDXIROTDNULV-UHFFFAOYSA-N 319.317 1.344 0 40 DDAB CCOc1ncccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 61650310 ZSLAUKWXUQWXCO-STQMWFEESA-N 305.378 1.073 0 40 DDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1ccco1 100128433 CZOWBHZUPRHUBM-VXGBXAGGSA-N 301.346 1.668 0 40 DDAB Cc1ccnn1-c1ccc(C(=O)NCCc2cnn(C)c2)cc1 42716775 JOWMXJJNQIGFKX-UHFFFAOYSA-N 309.373 1.887 0 40 DDAB CC[C@H](C)N1CN2C(=O)N[C@@H]3[C@@H]2N(C1)C(=O)N3C1CCCCC1 12418622 PHSZPWDBBSPHRA-UBHSHLNASA-N 321.425 1.763 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)C(C)(C)c3ccccc32)C[C@@H](C)O1 57355629 ULTYCHXJZQVVEO-BETUJISGSA-N 316.401 1.947 0 40 DDAB C[C@H]1CN(Cc2ccccc2NCC(=O)N(C)C)C[C@H](C)O1 55869851 XWLACMVNTDLLAQ-KBPBESRZSA-N 305.422 1.796 0 40 DDAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)CCC(=O)O)C[C@@H]12 107805924 DASZLFWEGVIPEO-CRAIPNDOSA-N 316.401 1.726 0 40 DDAB Cc1cnc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cn1 25633771 AFJQBTZACIOMLU-CQSZACIVSA-N 310.401 1.962 0 40 DDAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)[C@H]1CCCO1 26399373 GHUBFEKQPANIEV-GXTWGEPZSA-N 320.389 1.867 0 40 DDAB CS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100450080 DEWDGOSQVZZEJA-JTNHKYCSSA-N 308.403 1.977 0 40 DDAB CC1CCN(c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)CC1 57332319 ISYMELVPYOHWRY-CYBMUJFWSA-N 301.390 1.761 0 40 DDAB CN(CC(=O)Nc1ccccc1C(N)=O)C1Cc2ccccc2C1 58174833 KGHCYKIDCQGWGQ-UHFFFAOYSA-N 323.396 1.823 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccs1 44893404 UHPMIVRGBYSXKD-SECBINFHSA-N 307.375 1.243 0 40 DDAB C[C@@H](O)[C@H]1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 119499057 KXIVXWQUSAEGGZ-OLZOCXBDSA-N 316.405 1.908 0 40 DDAB CCc1ccccc1OCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 58265072 CLOWLGLJGYBLLS-OCCSQVGLSA-N 304.390 1.740 0 40 DDAB CCc1ccc(CNC(=O)N[C@@H](C)CN2CCOCC2)s1 44955179 AEILBQMFNBIAQL-LBPRGKRZSA-N 311.451 1.830 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)N(C)C1CCCCC1 44935918 BURRVYZMTBVVOV-GFCCVEGCSA-N 300.428 1.371 0 40 DDAB Cc1noc(CN2C(=O)N[C@](C)(c3ccc(F)cc3F)C2=O)n1 44944326 TXDAJAOVXJBYMI-CQSZACIVSA-N 322.271 1.623 0 40 DDAB Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)sc2ncn(C)c(=O)c12 27872707 ACCRTNRNBZRWHT-UWVGGRQHSA-N 321.402 1.601 0 40 DDAB C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cnnn2)cc1 58341151 UFKYGSYPZZDULQ-GFCCVEGCSA-N 308.345 1.891 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2 45075062 NQAZXDFACKFQQK-LLVKDONJSA-N 314.382 1.265 0 40 DDAB CCOCC(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 58514035 UZLGMUKOBXITHA-UHFFFAOYSA-N 305.378 1.604 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)[C@H](C)CO1 45449409 KNRNSZUJFURTEZ-VXGBXAGGSA-N 316.361 1.700 0 40 DDAB Cc1cccn2c(=O)cc(CNC(=O)NC3CCCC3)nc12 48264717 ZHDAOYDLUNDYQT-UHFFFAOYSA-N 300.362 1.745 0 40 DDAB Cc1c([C@@H](C)NC(=O)NCCCN2CCCCC2)cnn1C 48290491 SKJOASFNQRHPBI-CYBMUJFWSA-N 307.442 1.965 0 40 DDAB CN(Cc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1 12806935 ZLYSTRSLOZLEBC-UHFFFAOYSA-N 306.801 1.805 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 3452195 RNJVQDKGYOLMIK-UHFFFAOYSA-N 320.773 1.332 0 40 DDAB O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2)cc1 38430827 PSIGOATVFULPLF-UHFFFAOYSA-N 317.433 1.739 0 40 DDAB O=C(Cn1cncn1)N1CCC(Cc2ccc(F)cc2)CC1 69486719 IRIXVAFBSDHCTK-UHFFFAOYSA-N 302.353 1.899 0 40 DDAB Cc1ccn2cc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)nc2c1 17183602 WVGXRUHAHIWFTL-LBPRGKRZSA-N 318.333 1.019 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccnc(OC3CCCCC3)c2)N1 69617752 WSZGGVPKISDGEW-AWEZNQCLSA-N 317.389 1.688 0 40 DDAB CCOc1cc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)ccn1 69698389 BSVLAWNGCOWWBR-UHFFFAOYSA-N 324.340 1.647 0 40 DDAB CCOCCN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1CC 69840623 XTKNFZMIKRZRJF-HNNXBMFYSA-N 321.469 1.625 0 40 DDAB Cc1nc2ccccc2nc1CN1CCO[C@H](Cn2cncn2)C1 69876952 YCFWIPVNDDOMQD-AWEZNQCLSA-N 324.388 1.431 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 69816020 TUNOISLKCMCHMR-AWEZNQCLSA-N 301.394 1.814 0 40 DDAB O=C(Nc1ccncc1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641450 CLXJQJYDKGGCOR-HNNXBMFYSA-N 311.341 1.448 0 40 DDAB COC(=O)[C@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 14244939 ZZGMCFADBNTTDT-JTQLQIEISA-N 307.375 1.468 0 40 DDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15083208 BQTVUFVSWJPWQV-HACGYAERSA-N 316.357 1.734 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)NCC(=O)NCc1ccccc1 5881542 URSFVAYJSVHWBN-UHFFFAOYSA-N 320.780 1.428 0 40 DDAB CC1(C)COCCN1C(=O)c1ccc(N2CCOCC2)c(F)c1 71186170 PXUWFVJOZWBRRY-UHFFFAOYSA-N 322.380 1.913 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cn1 9134608 GLQVWSZFTLTDCC-NSHDSACASA-N 310.785 1.274 0 40 DDAB COCCNC(=O)CN[C@@H](C)c1ccc(Br)cc1 16695805 DVXPLPJEJXAOKT-JTQLQIEISA-N 315.211 1.862 0 40 DDAB CC(C)(C)C(=O)N1CCCN(CCOC[C@@H]2CCCO2)CC1 96421133 NXFSEOCUPHMKPV-HNNXBMFYSA-N 312.454 1.762 0 40 DDAB O=C(CNc1ccc(F)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 9578805 UKDOQBWDBRCPQA-SECBINFHSA-N 320.773 1.194 0 40 DDAB CCCCN(CC(N)=O)Cc1nnnn1-c1c(C)cccc1C 71821743 IHLMWTIERRXEHU-UHFFFAOYSA-N 316.409 1.367 0 40 DDAB CNC(=O)c1ccc(NC(=O)NCCN2CCCC2)cc1Cl 71818888 JJCZIXKHOUYINU-UHFFFAOYSA-N 324.812 1.917 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)n2cncn2)c1 71865850 CYOBUDKDDYWPRK-KBPBESRZSA-N 302.382 1.425 0 40 DDAB Cc1ccc(-n2cc(S(=O)(=O)Nc3ccn(C)n3)cn2)cc1 71914688 AIBQYFMCQSLCOH-UHFFFAOYSA-N 317.374 1.715 0 40 DDAB CN1CCN(CCCN(C)S(=O)(=O)C2CCCCC2)CC1 71920984 HBPNUJJFNGHQPT-UHFFFAOYSA-N 317.499 1.218 0 40 DDAB NC(=O)[C@H]1CN(Cc2c(Cl)cccc2N2CCCC2)CCO1 97033898 XOOQABCMVTYIPX-OAHLLOKOSA-N 323.824 1.626 0 40 DDAB Cc1noc(C)c1[C@H](C)NC(=O)NCCNC(=O)C1CCCC1 72283361 HOECEMPJGKYUNS-JTQLQIEISA-N 322.409 1.958 0 40 DDAB CCCc1c(C(=O)NCCCCNC(N)=O)[nH]c(C)c1C(C)=O 72288520 SODLNDJVZFJJTF-UHFFFAOYSA-N 322.409 1.657 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H](C)n1cncn1 72234203 GVWUTHZAYMIICT-QWRGUYRKSA-N 322.800 1.898 0 40 DDAB Cc1cccc(N2N=C(C(=O)NCCCC(=O)O)CCC2=O)c1 84210750 NSGZBGHILHOGQO-UHFFFAOYSA-N 317.345 1.459 0 40 DDAB Cc1cc(C)n(CCOC(=O)c2ccnc(-n3ccnc3)c2)n1 97141482 DVAFPYNVBJKGAP-UHFFFAOYSA-N 311.345 1.938 0 40 DDAB Cc1cc(Cl)nc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72369356 RKIJBRCNGVDKHQ-UHFFFAOYSA-N 318.830 1.424 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)CC1 75605847 ZWELQRIOSLQDNF-JTQLQIEISA-N 324.812 1.572 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc3O2)C[C@H]1N(C)C 76050731 XOHSHJGPVVHHAP-BZPMIXESSA-N 306.431 1.948 0 40 DDAB O=C(NCc1ncc[nH]1)[C@H]1COc2ccc(Br)cc21 95442877 FXJMTQYEYZFMOV-JTQLQIEISA-N 322.162 1.965 0 40 DDAB CCN(CC)C(=O)N1CCN(C(=O)[C@@H](C)c2cccnc2)CC1 95405498 PMYBAIRHVASFAS-AWEZNQCLSA-N 318.421 1.791 0 40 DDAB COc1cc(OC)cc(C(=O)O[C@H](C)CN2CCOCC2)c1 95458434 JNGXWUVFHXXVLL-GFCCVEGCSA-N 309.362 1.581 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCN1 88059558 NHVFWYFCUDZCMG-MRVPVSSYSA-N 309.218 1.976 0 40 DDAB CN1CCC(NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1 78422973 GJYAGSZEAMMXPU-UHFFFAOYSA-N 315.417 1.633 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1N(C)C 78894936 BYJSRTTTZYKDOK-GXTWGEPZSA-N 302.378 1.547 0 40 DDAB O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nnn[nH]2)C1 95976986 PVXHEFWVKJKTBA-QMMMGPOBSA-N 320.284 1.267 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)Nc2cnc(C(C)(C)C)nc2)C1 95955534 CCSJFHNMNSJMIO-GFCCVEGCSA-N 304.394 1.971 0 40 DDAB CC(C)N1CCC[C@@H](N2CCN(C(=O)c3ccco3)CC2)C1=O 95963649 RODVBCLZIHNEBT-CQSZACIVSA-N 319.405 1.437 0 40 DDAB C[C@H]1CN(c2nccnc2N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 95944367 QBGPSIYOEZXXSO-KPWCQOOUSA-N 306.410 1.704 0 40 DDAB O=C(N[C@@H]1CCc2c(F)cccc21)N1CCC2(C1)OCCO2 78952021 TXRRWNAPFAFZAI-CQSZACIVSA-N 306.337 1.971 0 40 DDAB COCc1nn(Cc2nc(Cc3ccccc3)no2)c(=O)o1 89420508 CBZIJIMYPSQHGG-UHFFFAOYSA-N 302.290 1.005 0 40 DDAB O=C(C[C@H]1COCCN1C(=O)CCn1cccn1)c1ccco1 89794336 DSGUQTBLCUQTCT-ZDUSSCGKSA-N 317.345 1.367 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 36633883 YSUFMIPXUUBTTO-MRXNPFEDSA-N 315.417 1.573 0 40 DDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](O)C(C)(C)C2)c1 1521381410 JKPBGBXDMSJOFP-CQSZACIVSA-N 318.373 1.750 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1CCCOCC(F)(F)F 77273344 LSXKTNBEZTYIJS-LBPRGKRZSA-N 302.296 1.872 0 40 DDAB CSc1ncc(Cl)c(C(=O)N[C@@H]2CC[S@@](=O)C2)n1 530643190 VUKXOLVWRTXTTP-FWCARGHBSA-N 305.812 1.103 0 40 DDAB CN(CCO)C(=O)c1cccc(I)c1 37853831 SVIYRIUQIWOGJJ-UHFFFAOYSA-N 305.115 1.356 0 40 DDAB COc1ncccc1CNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 30304845 KCOJTYUNFRHEGU-ABAIWWIYSA-N 314.341 1.935 0 40 DDAB O=S(=O)(CCNc1ccc(Cl)cn1)NCC1CCC1 189622494 UHILKXFXUNSLMI-UHFFFAOYSA-N 303.815 1.866 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CO)C(=O)O 218414025 YTBYPGRVPSEQLK-DMDPSCGWSA-N 318.778 1.304 0 40 DDAB CNc1cncc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 72364209 VUAWDPCPXOEPQI-UHFFFAOYSA-N 300.366 1.272 0 40 DDAB COc1ccc2c(c1)OC[C@H]2CC(=O)N1C[C@H](OC)[C@H](OC)C1 558925025 IQNRUBTXWXYWBJ-LYRGGWFBSA-N 321.373 1.434 0 40 DDAB O=C(CN1CCC[C@H](CO)C1)NCCc1c(F)cccc1F 75617396 XREBPKWQYKQXHE-LBPRGKRZSA-N 312.360 1.328 0 40 DDAB CC[C@@H](c1ccc(F)cc1F)N(C)CCNS(C)(=O)=O 72634227 KULHLGSGLPXMNI-ZDUSSCGKSA-N 306.378 1.897 0 40 DDAB COc1cccc(NC(=O)Cc2noc(CCC(=O)O)n2)c1 78400988 HOFRNCPISSABIE-UHFFFAOYSA-N 305.290 1.277 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H](C)O)c(Br)c1 42646285 VRHVWFJEDJJUEP-QMMMGPOBSA-N 315.167 1.193 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)C1 46089142 DLLNJBOJUAESTP-PHIMTYICSA-N 304.394 1.887 0 40 DDAB COc1ccc(NC(=O)COc2c(C)n(C)ccc2=O)cc1 44901798 DUPRPLBVVBSOKJ-UHFFFAOYSA-N 302.330 1.720 0 40 DDAB COc1cccc2cc(C(=O)N[C@@H]3C[C@@H](CO)[C@H](O)C3)oc12 85468413 ZVZQIRCADHHDJO-QJPTWQEYSA-N 305.330 1.303 0 40 DDAB O=C(NCc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)nc1 40287330 JFUFXJQGRAKJNJ-UHFFFAOYSA-N 324.262 1.750 0 40 DDAB CN(CC1(CO)CC1)C(=O)N[C@H]1CCN(c2ccccc2)C1 225471785 LPSNTXJSANZHAT-AWEZNQCLSA-N 303.406 1.679 0 40 DDAB C[C@@]1(C(=O)NCCc2ccco2)Oc2ccccc2NC1=O 40776466 MSILKXKGITWEBD-INIZCTEOSA-N 300.314 1.728 0 40 DDAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1cccnc1)C2 225494660 BZNADOLSLQILQI-KRWDZBQOSA-N 312.417 1.988 0 40 DDAB biogenic,in-vitro Cn1cccc1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 225758422 NVNPWEUJAKGLCL-OAHLLOKOSA-N 320.437 1.279 0 40 DDAB CN(CCNS(C)(=O)=O)[C@H]1CCCN(c2ccccc2)C1 81014786 XLGSVGUILKUBGN-HNNXBMFYSA-N 311.451 1.136 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3ccncc3)C2)C1 96201981 XVDLGVYDQUUURI-QGZVFWFLSA-N 305.422 1.252 0 40 DDAB Cc1nc(N2CCC(c3cnn(C)c3)CC2)c2cnn(C)c2n1 97202110 OGLSLSFRLJDZRS-UHFFFAOYSA-N 311.393 1.789 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)no1 96365417 WZOJKKXRXPUVCB-CYBMUJFWSA-N 320.370 1.671 0 40 DDAB O=C(NC1CC1)c1nc2c(s1)CCCN2c1ncccn1 96264647 ZPCPPJKHBZPEEM-UHFFFAOYSA-N 301.375 1.910 0 40 DDAB COc1cn(C)c(C(=O)Nc2nnc(C3CC3)s2)cc1=O 96224042 LIZXFEAGBVFZEK-UHFFFAOYSA-N 306.347 1.375 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 96038690 QTKOAOWBLMWKRI-GDBMZVCRSA-N 307.394 1.361 0 40 DDAB COC[C@H]1c2c(cnn2C)CCN1Cc1ccc2c(c1)OCO2 96197712 XUYSAXNORYIPCX-AWEZNQCLSA-N 315.373 1.895 0 40 DDAB CN(C)C[C@@H]1CO[C@@]2(COCCN(Cc3cccnc3)C2)C1 96051950 CPEBGDBPPODJBJ-SJORKVTESA-N 305.422 1.251 0 40 DDAB C[C@@H](N=c1[nH]c(-c2cccnc2)nc2c1CCC2)c1nc[nH]n1 538716470 QDICASUMWRCKST-SNVBAGLBSA-N 307.361 1.740 0 40 DDAB COCCC(=O)N1CCC(c2nccnc2-c2ncc[nH]2)CC1 257323318 WJQKLBUOXISNQI-UHFFFAOYSA-N 315.377 1.609 0 40 DDAB CN1CCN(CCCCNC(=O)c2cc(F)ccc2F)CC1 41361888 QLABRUHZCPKURB-UHFFFAOYSA-N 311.376 1.722 0 40 DDAB C[C@@]1(O)CCN(C(=O)c2cccnn2)C[C@H]1Oc1ccccc1 257301603 RZCLREVNTZKZQK-NVXWUHKLSA-N 313.357 1.521 0 40 DDAB Cc1nc(N)cc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257249347 JHVCEAYDZXSXDJ-CQSZACIVSA-N 315.377 1.878 0 40 DDAB O=C(CN1CCC[C@@H]1CCc1ccncc1)N1CCOCC1 257221569 DPPWVFDDJKCHQG-MRXNPFEDSA-N 303.406 1.337 0 40 DDAB COCCOc1cc(C(=O)NCCc2ccncc2)ccn1 253473898 ZNPWLZXGCGJFGZ-UHFFFAOYSA-N 301.346 1.474 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260845701 WGBKNEZBNXBXRH-MJVIPROJSA-N 309.387 1.940 0 40 DDAB CCc1cc2nncn2c(SCC(=O)Nc2cc(C)on2)n1 280068291 ZUYWNSJRTSOUEJ-UHFFFAOYSA-N 318.362 1.714 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 575405211 GZVLINKQEOWLOW-MRVWCRGKSA-N 302.378 1.045 0 40 DDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(F)c(Cl)c2)[C@@H]1O 585284435 ILOGSJYFLXTIIT-WQAKAFBOSA-N 317.744 1.231 0 40 DDAB O=C(NCCCn1cccn1)N1CCc2ccc(O)cc2C1 45713941 QGKUQHRIDKYJAC-UHFFFAOYSA-N 300.362 1.747 0 40 DDAB Cc1ccccc1-c1noc(=O)n1CC(=O)NCc1ccco1 58281469 RFWFJAHGZJUKDI-UHFFFAOYSA-N 313.313 1.721 0 40 DDAB COCCN(CCc1ccccc1)C(=O)NCCCC(=O)OC 58167223 SGEUPEAGTLAQGH-UHFFFAOYSA-N 322.405 1.840 0 40 DDAB CC1(C)CN(C(=O)CCc2nc(-c3ccccn3)no2)CCO1 65552887 XWPIVRLDKQSAMF-UHFFFAOYSA-N 316.361 1.702 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)[C@H]1CCC(=O)NC1 66291854 RVHGHYYBULZMSV-ZDUSSCGKSA-N 318.373 1.023 0 40 DDAB Cc1ccc([C@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1 69489620 CYIDBUQAKDDBBA-CQSZACIVSA-N 313.357 1.209 0 40 DDAB COc1cnc(C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)nc1 1548430883 WIHKVCUWBLNDDM-GJZGRUSLSA-N 313.357 1.823 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cccnc2)C1 72365176 NKMYPJKMIRXPPM-ZDUSSCGKSA-N 318.402 1.678 0 40 DDAB O=C(NCc1ccccc1)N1CCCN([C@H]2CCOC2)CC1 1565522406 HLQVXVVCPHCHGX-INIZCTEOSA-N 303.406 1.693 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CC(OC[C@@H]2CCOC2)C1 1565522482 ISEZDOPHMFNTPN-ZIAGYGMSSA-N 305.374 1.718 0 40 DDAB CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1CC(=O)NC1=O 75107766 IXBONHCJCNJRGH-NSHDSACASA-N 318.308 1.113 0 40 DDAB C[C@@H](CNC(=O)c1ccccc1N1CCOCC1)CC(=O)O 95992059 FHJIZSQALNTGQB-GFCCVEGCSA-N 306.362 1.364 0 40 DDAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 96365019 CJZLYZRCFQTXPU-SNVBAGLBSA-N 317.794 1.608 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)Cc1nc(N)c2ccccc2n1 97083738 YQXLRNMLLQCAMO-LLVKDONJSA-N 322.434 1.467 0 40 DDAB C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 110707233 YUFDKFSORLILKN-AVGNSLFASA-N 306.472 1.596 0 40 DDAB CCCCc1nc(SCC)c2c(=O)n(C)c(=O)n(C)c2n1 7392209 ISDNOXATFVGLNP-UHFFFAOYSA-N 308.407 1.482 0 40 DDAB CCN1C(=O)[C@@](O)([C@@H]2COC(C)(C)CC2=O)c2cc(C)ccc21 5018915 DTXIHQDLCHPHQA-ACJLOTCBSA-N 317.385 1.933 0 40 DDAB CS(=O)(=O)N(Cc1ccc(C(N)=O)cc1)c1ccccc1 19947614 VPYXOMDWVOHCNK-UHFFFAOYSA-N 304.371 1.752 0 40 DDAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)NC1CCOCC1 225549754 BJEKGJNNLRDNHP-UHFFFAOYSA-N 315.373 1.822 0 40 DDAB CCS(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 9169859 GUQVOTTYMCVVBZ-UHFFFAOYSA-N 312.391 1.830 0 40 DDAB CCn1nnc2c(SCC(=O)NC3CCCC3)ncnc21 13532186 ZFHJRHJAWLZEPZ-UHFFFAOYSA-N 306.395 1.392 0 40 DDAB CSc1nccc(N2CCO[C@@H](C(=O)N3CCCC3)C2)n1 1889098693 SREBRJZTEOIPEN-LLVKDONJSA-N 308.407 1.026 0 40 DDAB C[C@@]1(NC(=O)CCCc2cccs2)CCS(=O)(=O)C1 22740709 ZINGBGOUNMQVLM-CYBMUJFWSA-N 301.433 1.764 0 40 DDAB CC[C@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)cc2)C1 4359973 HHPATCQOOCZMDF-OLZOCXBDSA-N 305.378 1.170 0 40 DDAB Cc1cncc(C(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)NC(C)C)c1 503775928 JTHCIAIBGJNUEL-AEGPPILISA-N 301.390 1.908 0 40 DDAB Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1 585603205 JWIPTEMOWLXZKV-UHFFFAOYSA-N 307.357 1.631 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1sccc1C 585306143 KSZUTLQBSKJWSM-NEPJUHHUSA-N 311.403 1.778 0 40 DDAB Cc1cccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c1 40536299 DRASHBRBTLSONQ-HNNXBMFYSA-N 306.406 1.993 0 40 DDAB O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccccc1 40554060 SWPXKPUAAZRDGX-UHFFFAOYSA-N 315.377 1.593 0 40 DDAB CC1CCN([C@@H](CNC(=O)c2ccc(O)nn2)C(C)C)CC1 31900795 FVVVUAGNLGBXMD-AWEZNQCLSA-N 306.410 1.669 0 40 DDAB C[C@H](C(=O)N1CCC(c2ccc(O)cc2)CC1)n1cncn1 45890573 ACCQQUXBZSXPPV-GFCCVEGCSA-N 300.362 1.951 0 40 DDAB CN1CCN(NC(=O)CSc2nccc3ccccc23)CC1 532011 GQWDLXKATOSATJ-UHFFFAOYSA-N 316.430 1.606 0 40 DDAB COc1ncccc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69771722 LVZBFGIGXQPQID-AWEZNQCLSA-N 321.421 1.255 0 40 DDAB COc1ccc(CN(C)C(=O)CN2CCC[C@@H]2CO)cc1F 69738752 BNSKIYJCROAPRU-CYBMUJFWSA-N 310.369 1.249 0 40 DDAB COc1cc2ncnc(N3CCC[C@@H](C(=O)O)C3)c2cc1OC 20762486 AWBYEVQSKRPFMX-SNVBAGLBSA-N 317.345 1.948 0 40 DDAB biogenic O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)[nH]n1 29632630 OLJUDKONRBAZQS-UHFFFAOYSA-N 300.362 1.139 0 40 DDAB C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(N)=O 69704116 ODLUXNUCIJMSCR-JTQLQIEISA-N 301.371 1.836 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 8707718 TZTIHSSXKGNJLZ-CQSZACIVSA-N 315.373 1.292 0 40 DDAB Cc1cccc(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 52634835 ZUBHORMBAAHTQH-GXTWGEPZSA-N 310.419 1.441 0 40 DDAB COc1ccc(NC(=O)N2CCC[C@H](C(N)=O)C2)cc1OC 59497693 SOCKUYMEAXWBIG-JTQLQIEISA-N 307.350 1.433 0 40 DDAB COc1cccc(N2CCN(C(=O)NC[C@H]3CCCO3)CC2)c1 53508581 JNSRAEGEZBPLIX-MRXNPFEDSA-N 319.405 1.706 0 40 DDAB C[C@H](C(=O)Nc1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22774351 VZEWKPUORWDZEB-WBVHZDCISA-N 317.433 1.810 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2ccnc(-n3cncn3)c2)cnn1C 53800706 XVFHHMJPMSSTPQ-SNVBAGLBSA-N 311.349 1.195 0 40 DDAB CC(C)NC(=O)c1cc(Br)ccc1-n1cnnn1 12407657 NKNAPABUQXAOSE-UHFFFAOYSA-N 310.155 1.563 0 40 DDAB O=C(CNC(=O)c1cccs1)Nn1cnc2ccccc21 12539975 DSOLIDRPPVXTOF-UHFFFAOYSA-N 300.343 1.598 0 40 DDAB O=C(NCCNc1ncccn1)N[C@H]1CCOc2ccccc21 43165411 QBXYCSOASKNHIB-ZDUSSCGKSA-N 313.361 1.712 0 40 DDAB C[C@@H]1[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)CCC[C@H]1C 106084038 KWMODHADRPQXAP-AGIUHOORSA-N 319.471 1.392 0 40 DDAB CSc1ccsc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 89939169 YMNQRWNUEVCRRV-GHMZBOCLSA-N 314.476 1.997 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](c1cccs1)N(C)C 47833225 XEBDNKZENXAJGR-QWHCGFSZSA-N 321.450 1.935 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1cccs1)CS2 25842571 RSHOYRCPKOXMIS-BXUZGUMPSA-N 310.444 1.861 0 40 DDAB Cc1cc2nc(SCC(=O)N3CCCC3)n(C)c(=O)c2[nH]1 57521213 PTXATARVMOJDPI-UHFFFAOYSA-N 306.391 1.285 0 40 DDAB CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2cnc[nH]2)cc1 91436474 RLXBGEYUNAKGAT-UHFFFAOYSA-N 309.347 1.573 0 40 DDAB COC(=O)CCN(CC(=O)Nc1nc(C)cs1)CC(C)C 58181199 QLSVMKWIFOSKCX-UHFFFAOYSA-N 313.423 1.911 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cccs1 27626758 FLGWDJYXRSYAED-UHFFFAOYSA-N 316.390 1.244 0 40 DDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)c1ccccc1 58283289 WVKNVVFHMYKCHV-UHFFFAOYSA-N 315.350 1.855 0 40 DDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)Nc1ccn(C)n1 58282323 YZUBDLDKFOHIIQ-UHFFFAOYSA-N 314.349 1.357 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)NCc1nnc2n1CCC2 44935817 GTAFFINCZDFQFH-CSKARUKUSA-N 304.375 1.315 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccsc1 44919667 IAUBXXGXHQCCRU-AAEUAGOBSA-N 324.450 1.258 0 40 DDAB Cc1nc(COc2ccc(C(=O)N(C)CC(N)=O)cc2)cs1 44943019 UGWKNCIVOGVJTP-UHFFFAOYSA-N 319.386 1.588 0 40 DDAB CN(Cc1nnnn1C1CC1)C[C@H]1COc2ccccc2O1 44908276 CCEUWXWQYPACRI-LBPRGKRZSA-N 301.350 1.280 0 40 DDAB CC(=O)N1CCN(C(=O)NCc2ccc(OC(C)C)nc2)CC1 44970357 QLUAPXZJMQPIRO-UHFFFAOYSA-N 320.393 1.243 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 58423908 XASOHXFRGAQMHA-NSHDSACASA-N 323.397 1.314 0 40 DDAB O=C(COC(=O)C1CCCCC1)NC(=O)Cc1ccccc1 10627111 LKHSZRNDBNNHQH-UHFFFAOYSA-N 303.358 1.995 0 40 DDAB C[C@@H](NC(=O)C1=NNC(=O)CC1)c1cccc(Br)c1 37983334 DHUDTCDCNRASOC-MRVPVSSYSA-N 324.178 1.892 0 40 DDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 13341442 YYHGHQYXIHEBOT-NSHDSACASA-N 305.302 1.593 0 40 DDAB CCn1cnnc1CNC(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 49208274 LSBNCZURDRQLHJ-OKILXGFUSA-N 322.457 1.465 0 40 DDAB NC(=O)N1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 69535091 FOVRBFPHXIRKLH-UHFFFAOYSA-N 319.380 1.860 0 40 DDAB NC(=O)CCNC(=O)Nc1cccc(OCc2cscn2)c1 69621856 UPCXSLQITKNPHL-UHFFFAOYSA-N 320.374 1.719 0 40 DDAB NC(=O)c1cnn2c1NC[C@@H](CNCCCc1ccccc1)C2 69846564 VERKFLUFYDXJSU-CQSZACIVSA-N 313.405 1.246 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)C1C2CC3CC(C2)CC1C3 39976020 JHZDNKYKPFPPPJ-UHFFFAOYSA-N 306.362 1.154 0 40 DDAB CC(C)c1nnc(SCC(=O)NC2CC2)n1C[C@@H]1CCCO1 13995076 NJFKKBZYJPKVAF-LBPRGKRZSA-N 324.450 1.951 0 40 DDAB O=C1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)c2ccccc2N1 65516206 ADQCEBBBXAIJPB-WCQYABFASA-N 310.357 1.440 0 40 DDAB O=C(NCc1nc(-c2ccccc2)n[nH]1)NC[C@H]1CCCO1 65532095 VHPFZWMVGYGHOT-GFCCVEGCSA-N 301.350 1.450 0 40 DDAB CN1CCO[C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)C1 65516364 VVKBPIWDORIYNU-LBPRGKRZSA-N 317.216 1.983 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)NC(C)(C)C1=O 4516789 AFKQPZIEZNZTMT-LBPRGKRZSA-N 317.389 1.454 0 40 DDAB Cc1cc(N[C@H](C)C(=O)NC(N)=O)ccc1Br 8780170 UCTCVEWZOHNJOA-SSDOTTSWSA-N 300.156 1.753 0 40 DDAB COc1c(F)cc(NC(=O)NCCNc2ncccn2)cc1F 65621160 WTISYMBDAPISFP-UHFFFAOYSA-N 323.303 1.997 0 40 DDAB COC[C@@H](C)NC(=O)NC(=O)Cn1cnc2cc(C)c(C)cc21 178478840 CFVHQALGLPJHQY-GFCCVEGCSA-N 318.377 1.514 0 40 DDAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 6678894 PSNBMAPOTGRMKG-SECBINFHSA-N 309.391 1.159 0 40 DDAB O=c1c2cnc(N3CCOCC3)nc2ccn1Cc1ccccc1 6769847 KJQCRWLQDACCBW-UHFFFAOYSA-N 322.368 1.676 0 40 DDAB O=C(c1ccccc1F)N1CCC(NCc2ncc[nH]2)CC1 67667950 STURLVJYIGKZDP-UHFFFAOYSA-N 302.353 1.943 0 40 DDAB CCCSc1nnc(SCC(=O)N2CCNC2=O)s1 7397731 QAROSLSUKRLIOF-UHFFFAOYSA-N 318.449 1.684 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)no1 67888193 HUVNWEJFXXAEBQ-LLVKDONJSA-N 302.334 1.340 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccccc2)C1 27394204 UWKVMORWLAOGLH-GJZGRUSLSA-N 302.374 1.330 0 40 DDAB O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCCC1 9059593 IPAWLRSZPQENRJ-LLVKDONJSA-N 300.366 1.192 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(C[C@@H]2CC=CCC2)CC1 93057349 HPXFPHRKMVUPKI-DLBZAZTESA-N 321.465 1.208 0 40 DDAB Cc1ccc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 16222788 RPAYIUGLCGCEDI-NEPJUHHUSA-N 313.444 1.779 0 40 DDAB Cc1n[nH]cc1CNCc1ccc(N2CCO[C@H](C)C2)nc1 71819596 VSXJKGIFISEDKY-GFCCVEGCSA-N 301.394 1.628 0 40 DDAB CC(C)Oc1ccc(CCC(=O)N2CCN(CCO)CC2)cc1 75572727 TXPYRFLLRFJHNZ-UHFFFAOYSA-N 320.433 1.543 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2nccs2)n1 72285911 BJECFYGUASEFTI-GFCCVEGCSA-N 318.402 1.762 0 40 DDAB Cc1ccccc1C(C)(C)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 72290627 RGBMPIKBCSYZGS-QGZVFWFLSA-N 315.373 1.083 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1cccc(-n2cn[nH]c2=O)c1 97163215 NMJTWJNJECMPFP-UHFFFAOYSA-N 313.317 1.347 0 40 DDAB C[C@@H](CNC(=O)NC1Cc2ccccc2C1)N1CCOC[C@H]1C 97140220 DPUBASBGPKVMSM-UONOGXRCSA-N 317.433 1.562 0 40 DDAB C[C@H]1C[C@H](NCCNS(=O)(=O)Cc2ccon2)CC[C@H]1C 97379727 DZDOWNJUMAWDKQ-FRRDWIJNSA-N 315.439 1.508 0 40 DDAB COC(=O)c1ccccc1CCC(=O)N1CCc2[nH]ncc2C1 95442259 YGWBJWZQTGAXHB-UHFFFAOYSA-N 313.357 1.714 0 40 DDAB CN(C)C(C)(C)CNC(=O)N1CCC(N2CCCCC2=O)CC1 95418914 KGYACIQCEJVUNW-UHFFFAOYSA-N 324.469 1.513 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1ccc(Cl)cc1Cl 88373496 IMFSPJDYWIBFPC-SNVBAGLBSA-N 304.129 1.919 0 40 DDAB Cc1cc(CC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n[nH]1 95992172 PKCXDHMDXSHHOP-OFWKBQFLSA-N 307.394 1.699 0 40 DDAB COC[C@](C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)O 95989797 WZWMQGZCFXZJRJ-HNNXBMFYSA-N 321.308 1.231 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)[nH]n1 95998152 MNHSFFFIQMRINZ-ZDUSSCGKSA-N 322.372 1.721 0 40 DDAB COc1cc(CN2CC[C@H](NCc3ncc[nH]3)C2)cc(OC)c1 88755824 WNASOHLGYBIMFU-AWEZNQCLSA-N 316.405 1.791 0 40 DDAB COCCCNC(=O)[C@H](C)[S@@](=O)Cc1cccc(OC)c1 79324293 YBYZFFLJROICCA-LAJNKCICSA-N 313.419 1.485 0 40 DDAB COC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(F)cc1 74925160 JGPFDNWHOFIEJR-GXFFZTMASA-N 309.341 1.043 0 40 DDAB C[C@@H](c1ncc(-c2ccccc2)o1)N1CCN(C(=O)CO)CC1 89422925 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Cn1ncc2c1CCC[C@@H]2NC(=O)c1cnn(C)c1-n1cccc1 24993687 KUUSSHHLOPURBV-AWEZNQCLSA-N 324.388 1.752 0 40 DDAB COCCN1CC2(CCN(C(=O)c3occc3C)CC2)CC1=O 108525661 CMIXQXHPWMVVAI-UHFFFAOYSA-N 320.389 1.689 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccnc1-n1cccn1 25012552 FPOLPJAFAVJHSY-VXGBXAGGSA-N 313.361 1.368 0 40 DDAB Nc1ccn(C[C@@H](O)COc2cccc3ccccc23)c(=O)n1 1442679 AAKZPZWKFWKYSL-CYBMUJFWSA-N 311.341 1.419 0 40 DDAB O=C(c1cccc2cn[nH]c12)N1CCN(c2cnccn2)CC1 25344083 ITEOUQVQGBJVQI-UHFFFAOYSA-N 308.345 1.315 0 40 DDAB CC(=O)NC(CCc1c[nH]c2ccccc12)(C(=O)O)C(=O)O 22046854 HLAXNURKPQFWIA-UHFFFAOYSA-N 304.302 1.145 0 40 DDAB in-vitro COc1ccc(C(=O)NCCn2cnc3ccccc3c2=O)cc1 62001443 RAPOMCJNOIMJGS-UHFFFAOYSA-N 323.352 1.835 0 40 DDAB biogenic CC[C@H]1CN(C(=O)COc2cccc(C(=O)NC)c2)CCO1 58084890 STALCUBXBRMGME-ZDUSSCGKSA-N 306.362 1.062 0 40 DDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[C@@H]1CCCO1 44896574 FJJOLBORFQKBCF-KGLIPLIRSA-N 302.374 1.873 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)c3cnccn3)cn2)CCO1 44939159 FDLSJTMQPCYATF-GFCCVEGCSA-N 313.361 1.027 0 40 DDAB CCOc1ncccc1CNC(=O)NC[C@@H]1CCN(CC)C1 44968878 IJLZPAVRQCMHFR-ZDUSSCGKSA-N 306.410 1.621 0 40 DDAB Cn1cc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)cn1 58343438 SBSYKVZHKYRTHK-UHFFFAOYSA-N 322.346 1.178 0 40 DDAB O=C(NCC(F)(F)F)C1=NN(Cc2ccccc2)C(=O)CC1 58430823 BSACCMTVSVYUMO-UHFFFAOYSA-N 313.279 1.844 0 40 DDAB O=C(NCC[C@H]1CCCO1)c1ccc2c(=O)[nH]c(S)nc2c1 58411773 VBABISDUXWDENV-SNVBAGLBSA-N 319.386 1.511 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1 3328490 HDPXMQIYJNMGHV-UHFFFAOYSA-N 310.419 1.604 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(F)cc1F 3434970 KOGYDQPHLKSEHB-UHFFFAOYSA-N 314.288 1.746 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 3480377 RAOAZZSLPXQHBW-AWEZNQCLSA-N 317.389 1.312 0 40 DDAB Cc1nnc(NC(=O)c2nn(C)c(=O)c3ccccc23)s1 3557765 SYQNFIVQDOKVEM-UHFFFAOYSA-N 301.331 1.346 0 40 DDAB O=C(NCCNC(=O)c1ccco1)C1=Cc2ccccc2OC1 12982109 AMLIDJAWUDUDBD-UHFFFAOYSA-N 312.325 1.602 0 40 DDAB O[C@H](COCc1cccs1)Cn1nnc(-c2ccccc2)n1 69057862 AQTXXNFJCBGBJU-ZDUSSCGKSA-N 316.386 1.979 0 40 DDAB Cc1noc(C)c1C(=O)NCc1cccc(Cn2cncn2)c1 49362197 WIPWHEFHFJSYOK-UHFFFAOYSA-N 311.345 1.861 0 40 DDAB CCC[C@@H](NC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)O 4061941 NYRZXCKYQUEKOL-GFCCVEGCSA-N 319.313 1.411 0 40 DDAB biogenic Cn1c(NC(=O)CNC(=O)C2CC2)nc2cc(Cl)ccc21 64091347 BBRCJLSAECFYIS-UHFFFAOYSA-N 306.753 1.691 0 40 DDAB CN(C)S(=O)(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 69322680 WUYWEBNBGQEJKD-UHFFFAOYSA-N 315.414 1.533 0 40 DDAB CCOC(=O)NCCC(=O)N(CCN(C)C)c1ccccc1 69347930 NBRSNJQZHKJIDC-UHFFFAOYSA-N 307.394 1.717 0 40 DDAB CCCO[C@H]1C=CC(Oc2nc(NCC)cc(N(C)C)n2)=NN1 4223097 JCXPURFLJNYWEG-ZDUSSCGKSA-N 320.397 1.579 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCCC(=O)O 4204330 FXBPKENYOGLSOM-SNVBAGLBSA-N 300.355 1.367 0 40 DDAB COc1ccc(CNCc2cnc(N3CCOCC3)nc2)cc1 65464507 DGADEZVTGXAZIK-UHFFFAOYSA-N 314.389 1.612 0 40 DDAB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)nn1C(C)(C)C 65437270 FXICXAFQIKOQKL-UHFFFAOYSA-N 324.406 1.372 0 40 DDAB C[C@H](NC(=O)NCCCn1cccn1)C(=O)N1CCCC[C@H]1C 65539568 BTASUEVKWPXNQI-KGLIPLIRSA-N 321.425 1.362 0 40 DDAB CC(C)N1CCC(N(C)c2ncnc3c2cnn3CCO)CC1 65541075 LRTDGFNBZLNATJ-UHFFFAOYSA-N 318.425 1.128 0 40 DDAB Cc1ncc(C(=O)N2CCCN(Cc3nccn3C)CC2)s1 69900053 FSCZAESAYYVPIC-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB CCOC(=O)CN1C(=O)[C@H]2Cc3ccccc3CN2C1=S 5472709 ZBTYJWXBYAWBOF-GFCCVEGCSA-N 304.371 1.104 0 40 DDAB CC[C@@H](C(=O)Nc1ccccn1)n1nnc2ccccc2c1=O 6659808 QCPOSUMKWFKQTI-ZDUSSCGKSA-N 309.329 1.776 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 69513366 WOSFFHLFKDXWCZ-JTQLQIEISA-N 314.345 1.436 0 40 DDAB COCCCn1c(C)c(C)c2c(N3CCN(C)CC3)ncnc21 6759761 PUTLNXLXXNIXKY-UHFFFAOYSA-N 317.437 1.836 0 40 DDAB COc1ccc(C(C)=O)c(Oc2cc(=O)n(C)c(=O)n2C)c1 5726471 GHTZHTZPKADUMR-UHFFFAOYSA-N 304.302 1.088 0 40 DDAB O=C(COc1ccc2c(c1)CCC2)NCCN1CCOCC1 21642040 VVHNHRXQWGYLFQ-UHFFFAOYSA-N 304.390 1.003 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN1C(=O)CCCC1CCCC1 80244509 QGWYMDLHYZMREP-CYBMUJFWSA-N 302.440 1.626 0 40 DDAB Cn1cnc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)n1 92531642 KCXMJWAYGDRGCY-UHFFFAOYSA-N 318.352 1.319 0 40 DDAB O=C(c1cccnc1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005417 LGVQQWQPHWHSGK-UHFFFAOYSA-N 317.370 1.348 0 40 DDAB C[C@H](C[S@@](C)=O)NC(=O)NCCC1Cc2ccccc2C1 96010078 MSVWVCKLRGWIOG-GTJPDFRWSA-N 308.447 1.858 0 40 DDAB C[C@@H]1CCC[C@@H](C)N(Cc2nc(CS(C)(=O)=O)no2)C1 75767299 HTWLBJHEROIJBA-GHMZBOCLSA-N 301.412 1.625 0 40 DDAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867538 RSXXYDMLXQVIQX-UHFFFAOYSA-N 310.419 1.317 0 40 DDAB O=C1OCC[C@@H]1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 71792447 VZANRTVXVOSYHR-HNNXBMFYSA-N 313.357 1.241 0 40 DDAB CNS(=O)(=O)CC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C 83612812 IKMCOQWXLSDLSD-GXSJLCMTSA-N 302.421 1.002 0 40 DDAB CCOC(=O)CCN(C)C(=O)[C@@H]1COc2cc(OC)ccc2C1 71846872 QQEYLPBTDYYPRH-ZDUSSCGKSA-N 321.373 1.658 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCCCNC1=O 173901069 BHTHLHZIBQJSMP-LBPRGKRZSA-N 307.398 1.007 0 40 DDAB C[S@@](=O)c1ccccc1NC(=O)NCCCn1cccn1 83990397 PAQYUIUOKJJMSB-NRFANRHFSA-N 306.391 1.832 0 40 DDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C)CC1 97109710 ZZUCEOAFUULSCY-CYBMUJFWSA-N 313.442 1.700 0 40 DDAB CN(C)Cc1csc(CN2CCN([C@H]3CCNC3)CC2)c1 97173016 ZPLDPBCANSTTJT-HNNXBMFYSA-N 308.495 1.289 0 40 DDAB CCCn1cc(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cn1 72300565 NQVBTBJAEXONHD-JSGCOSHPSA-N 314.455 1.053 0 40 DDAB O=C(NCCc1nccs1)C1(n2cnnn2)CCCCC1 72403549 PVOBJKRWTFNOBR-UHFFFAOYSA-N 306.395 1.148 0 40 DDAB CCN1CCC(NC(=O)c2ncccc2OCC(F)F)CC1 95350930 KQYZVOYWGUUPAU-UHFFFAOYSA-N 313.348 1.940 0 40 DDAB CC(C)c1nc(CC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cs1 95399406 MCDKORQLOZHQFC-MNOVXSKESA-N 309.435 1.969 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)n[nH]1 95410048 BIGWBULYZGZAKE-LLVKDONJSA-N 319.409 1.730 0 40 DDAB Cc1nn(CCO)c(C)c1CNCC1([C@H](C)CCO)CCC1 95463558 XHLGKBOUBCUDJK-CYBMUJFWSA-N 309.454 1.771 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1 78881135 BAMYRLRIBHCSJW-CYBMUJFWSA-N 303.366 1.635 0 40 DDAB C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1C2CC3CC(C2)CC1C3 95997748 UWAGNSQIJFDKCI-CLRMKRGCSA-N 320.433 1.203 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(CC(=O)O)CC(C)C 95969873 VXGQVABZPWSDFE-NSHDSACASA-N 309.410 1.785 0 40 DDAB O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc2nnnn2c1 79097185 NVWPSGXWNOLZFS-AWEZNQCLSA-N 314.393 1.119 0 40 DDAB CN(C)CCOc1ccccc1C(=O)NCC1=COCCO1 75148570 UOJFDGUNWUGGQA-UHFFFAOYSA-N 306.362 1.245 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382009 XECGOQLECKSGMU-LMOYCYGVSA-N 303.314 1.678 0 40 DDAB Cc1n[nH]c(=O)c(C(=O)OCc2ccn(-c3ccccc3)n2)c1C 179410085 XXJFKKBESCHZFC-UHFFFAOYSA-N 324.340 1.929 0 40 DDAB Cc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1 409063623 AHTNMATUCQKXPB-CVEARBPZSA-N 309.369 1.778 0 40 DDAB Cc1ccc(F)c(OCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c1 1549736413 MYLXBLUDKASLNG-NSHDSACASA-N 318.352 1.952 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CC[C@@H](C(=O)O)C1 62117614 ZODSIXZGUUTLBA-SSDOTTSWSA-N 301.140 1.334 0 40 DDAB Oc1nnc(Cl)cc1Sc1nnnn1-c1ccccc1 1559052763 ASMUQDFXPYGXAS-UHFFFAOYSA-N 306.738 1.963 0 40 DDAB CC[C@@]1(O)CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)C1 515867135 PGKOOBTUJXJOSI-QGZVFWFLSA-N 314.389 1.398 0 40 DDAB COC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218469571 FIWUXWIFWKYTGM-MDZLAQPJSA-N 302.323 1.054 0 40 DDAB O=C(CNC(=O)NC1CCCCC1)NCCCn1ccnc1 79351743 KISMEHIOYQLQAF-UHFFFAOYSA-N 307.398 1.021 0 40 DDAB NCCN(C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79391854 YZJZMZMHGNEDCT-MRXNPFEDSA-N 303.406 1.821 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2CCO)n1 72360131 VCVZOBPXHFBTCR-ZDUSSCGKSA-N 300.366 1.448 0 40 DDAB O=C(O)c1ccc2c(=O)n(Cc3ccc(F)cc3)c(=O)[nH]c2c1 70460558 ITHCUNCVIFJHSN-UHFFFAOYSA-N 314.272 1.575 0 40 DDAB O=c1n(C2CC2)nnn1C1CCN(Cc2ccccn2)CC1 72335780 FRGQJGJCHQMPHU-UHFFFAOYSA-N 300.366 1.007 0 40 DDAB COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 73203692 NKBXRJUNSMHHHK-GLQYFDAESA-N 313.357 1.859 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O 79098788 PTBDSFPSUBHLRG-ZIAGYGMSSA-N 307.394 1.774 0 40 DDAB CN1CCN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226747351 BKHNAKWMCDSZKC-INIZCTEOSA-N 305.353 1.483 0 40 DDAB CC1(CO)CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 573015955 CSFREIJIRSOCPC-QGZVFWFLSA-N 304.434 1.986 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 222740169 NEMPWJYDYWBPJW-UHFFFAOYSA-N 315.391 1.487 0 40 DDAB CC[C@@H](CO)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 42645994 PNRFAQLVMGHKNJ-VIFPVBQESA-N 305.161 1.819 0 40 DDAB CC(C)N1CCC[C@@H](N2CC3(CCOCC3)CC[C@@H]2CO)C1=O 528641173 RBOINLQFXLUUOK-HZPDHXFCSA-N 324.465 1.639 0 40 DDAB CCOC(=O)CNC(=O)[C@H](Nc1ccc(C)cc1)C(=O)OCC 227163617 PSDXEZXCMCWZNX-AWEZNQCLSA-N 322.361 1.018 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccs1 229804032 XJRVEGAXABEXEL-UHIISALHSA-N 308.403 1.563 0 40 DDAB COC(=O)c1ccc2c(c1)CN(CC(F)(F)F)C(=O)CO2 96530230 GXJAXTHMYGYAQX-UHFFFAOYSA-N 303.236 1.757 0 40 DDAB Cn1ccc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c1 96502237 XAADTEANCCGZHD-CQSZACIVSA-N 307.394 1.710 0 40 DDAB COCCO[C@@H]1CCCN(C(=O)Cc2c(C)nn(C)c2C)C1 330387466 BJRDTITWHKDEEV-CQSZACIVSA-N 309.410 1.233 0 40 DDAB C[C@](NC(=O)C[C@@H]1CCCO1)(C(N)=O)c1cccc(Cl)c1 96454811 CLOURIPATSSGDL-SWLSCSKDSA-N 310.781 1.726 0 40 DDAB CC(C)(C)[C@@H](N[C@@H]1CCCOC1)c1nc(-c2nc[nH]n2)no1 96494921 HVFATUCFBRULQO-ZJUUUORDSA-N 306.370 1.711 0 40 DDAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc2n(n1)CCCO2 90626832 OQCOFRJWVUUSKF-UHFFFAOYSA-N 318.358 1.893 0 40 DDAB CC[C@](C)(CC(=O)OC)NCc1cc(=O)n2ccccc2n1 96461843 ODIRBBNTIQUXAE-MRXNPFEDSA-N 303.362 1.516 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CCCN(C[C@H]2CCCCO2)C1 96441634 HXLZXHICWONKKR-NWDGAFQWSA-N 308.344 1.946 0 40 DDAB CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccsc1 96056535 INJFSYRKXQFLHU-ZIAGYGMSSA-N 321.446 1.402 0 40 DDAB O=C1[C@@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1CC1CC1 96208888 DXIMFULZWYXMCD-CVEARBPZSA-N 304.390 1.739 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)CC(=O)N2C)cc1 96181294 XFKPGLAADXEWKE-ZBFHGGJFSA-N 302.374 1.373 0 40 DDAB COCCN1CC[C@H]2O[C@H](C(=O)NCc3cccs3)CC[C@H]21 97953578 ARKGJIGAHDDQAP-KFWWJZLASA-N 324.446 1.633 0 40 DDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)[C@@H]1CCCO1 96067674 SKPHQMNBGNCQSS-HOCLYGCPSA-N 316.401 1.411 0 40 DDAB O=C(c1ccncc1)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 96072260 KOMCCKCZMHLXPS-RDJZCZTQSA-N 302.374 1.882 0 40 DDAB COC[C@H](O)CNC(=O)Nc1ccc(Br)c(F)c1 96435435 VHMIBUOSNWYXBS-MRVPVSSYSA-N 321.146 1.717 0 40 DDAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCS(=O)(=O)CC1 96440838 QRBAULCMCFUHQY-QWHCGFSZSA-N 300.424 1.395 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)NCCNC(=O)c1ccn[nH]1 96500174 ZLMCIYKKOKXXMB-GFCCVEGCSA-N 315.377 1.542 0 40 DDAB COCCNC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21 247837791 JRWGLKYHASZWMV-LMWIJYBJSA-N 315.369 1.809 0 40 DDAB Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3Cc2ccc(F)cc2)cn1 248129371 MRYCFOGDDYEGJB-CVEARBPZSA-N 314.364 1.939 0 40 DDAB CCCS(=O)(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 249693043 NKZKDPVEICZNKI-OLZOCXBDSA-N 309.391 1.001 0 40 DDAB CCO[C@@H]1C[C@@](CO)(N[C@H]2CCCN(C(C)C)C2=O)C1(C)C 248729148 IZQOREAROXJLFX-VBQJREDUSA-N 312.454 1.542 0 40 DDAB CCCS(=O)(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257303699 SIIXZLJQRDFSMI-CYBMUJFWSA-N 313.423 1.261 0 40 DDAB COCC(=O)N1CC[C@H](Cc2cccnc2-c2cc(C)n[nH]2)C1 257312816 UPRGBFYMGRQXCZ-CYBMUJFWSA-N 314.389 1.818 0 40 DDAB C[C@H](C(=O)N1CCOCC1)n1cc(COc2ccccc2)nn1 257173726 VSAMKFLNMZLEEQ-CYBMUJFWSA-N 316.361 1.277 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257299462 RQDJXLGVSZHVAR-GFCCVEGCSA-N 318.333 1.309 0 40 DDAB CCOC(=O)N1[C@H]2C[C@@H]3C[C@H]1[C@H]([C@H]2O)N(Cc1ccccc1)C3 616568836 FQEBJRNMVULMRK-VIQHNZTISA-N 316.401 1.851 0 40 DDAB CCCCN1CCOC[C@]2(CC(=O)N(Cc3cncs3)C2)C1 585103517 DDTIELYSJPHGNE-MRXNPFEDSA-N 323.462 1.994 0 40 DDAB CC[C@@H]1C(=O)NCCN1Cc1ccccc1OCCCCO 585141481 WPDQUQSWFURDKE-OAHLLOKOSA-N 306.406 1.548 0 40 DDAB CN1CCC(NC(=O)c2ccc(Br)cc2O)CC1 44490642 NYWPGYDFUIMDNQ-UHFFFAOYSA-N 313.195 1.979 0 40 DDAB O=C1C(=O)N(CN2CCCCC2)c2cc3c(cc21)OCCO3 57335763 WREABSHELOPRNH-UHFFFAOYSA-N 302.330 1.431 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccccc2CN2CCCC2)N1 68931848 GLSOEJVTJCMDBG-OAHLLOKOSA-N 301.390 1.177 0 40 DDAB COc1cccc2c1OCC(C(=O)NCCC(=O)N(C)C)=C2 69513308 FIPBRLQVKSMQJU-UHFFFAOYSA-N 304.346 1.066 0 40 DDAB NC(=O)CNC(=O)c1cccc(OCc2ccc3c(c2)CCC3)c1 72293921 JSWHKZWXKDXCAB-UHFFFAOYSA-N 324.380 1.969 0 40 DDAB C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(C(=O)O)cc1F 92114237 DJXJHLLUQVWTBE-MRVPVSSYSA-N 301.339 1.943 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CSc1nncn1N 415214 PJWSJMBOMFOXBG-UHFFFAOYSA-N 313.770 1.385 0 40 DDAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccccn2)c1=O 12146684 FSVDJZMZEXXGJA-UHFFFAOYSA-N 311.301 1.119 0 40 DDAB COc1ccc(Cc2c(C)nc(SCC(=O)O)[nH]c2=O)cc1 12653592 IZMOACRVLLMUGS-UHFFFAOYSA-N 320.370 1.854 0 40 DDAB O=C(NC[C@@]1(O)CCOc2ccccc21)NC1CCOCC1 225556281 CXINKZSMHRWBMP-INIZCTEOSA-N 306.362 1.135 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)NC2CCCC2)cc1OC 211090198 FPGLIDYVAHNUNT-ZDUSSCGKSA-N 308.378 1.979 0 40 DDAB CCCN1C(=O)NC2(CCN(C(=O)C3CCCC3)CC2)C1=O 17271780 NUMUWJIMTYISMI-UHFFFAOYSA-N 307.394 1.500 0 40 DDAB COc1ccc(CN2CCC(NS(=O)(=O)C3CC3)CC2)cc1 1259277679 FFNWHUCOTMCOLQ-UHFFFAOYSA-N 324.446 1.741 0 40 DDAB Cc1cnccc1CN1CCO[C@]2(CCCCN(C)C2=O)C1 2037981004 QEIGBOBUZDPSFM-QGZVFWFLSA-N 303.406 1.603 0 40 DDAB COC(=O)CS[C@H](C)C(=O)Nc1nnc(C(C)C)s1 4274298 JIHBDQQUCGZNMW-SSDOTTSWSA-N 303.409 1.895 0 40 DDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 12364707 KONWAFWYYOOUOD-XGUBFFRZSA-N 313.309 1.341 0 40 DDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](CF)C3)cc21 1849179333 SSJSPPHFDCNEKZ-SECBINFHSA-N 314.338 1.112 0 40 DDAB Cc1nc(C(=O)N2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)cs1 2055839538 GTFTVUDTGRGXRT-RISCZKNCSA-N 319.390 1.289 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19017154 VORSYODDSHYGML-CQSZACIVSA-N 316.336 1.787 0 40 DDAB O=C(O)Cn1c(S)nc2c(-c3ccccc3)c[nH]c2c1=O 100071625 NHIVPNXSWZMSPH-UHFFFAOYSA-N 301.327 1.765 0 40 DDAB Cn1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1=O 30317339 HWKMCXPNHBZLBE-UHFFFAOYSA-N 311.385 1.173 0 40 DDAB O=C(CNC(=O)NC1CC1)Nc1ccc2c(c1)OCCCO2 40497681 UIBUZLSNPWNBQL-UHFFFAOYSA-N 305.334 1.248 0 40 DDAB CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 40526998 LFFCMCQCRAGLNP-TXEJJXNPSA-N 305.378 1.616 0 40 DDAB CC(=O)NCCNC(=O)CCNc1ncnc2sc(C)cc12 31868840 MCUMZJWXPPOIGR-UHFFFAOYSA-N 321.406 1.054 0 40 DDAB COCCN1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 51281744 YHGKASNSYLAKBV-HNNXBMFYSA-N 300.349 1.262 0 40 DDAB O=C(O)C1CCN(c2cnc(N3CCSCC3)nc2)CC1 45796048 SKRSYFZGFNOWLN-UHFFFAOYSA-N 308.407 1.331 0 40 DDAB C[C@@H]1CN(Cc2cccnc2)CCN1c1ccc2nncn2n1 69458636 NYLVOWWHMQJUMG-CYBMUJFWSA-N 309.377 1.230 0 40 DDAB O=C1NC[C@H]2CN(Cc3ccc(OC(F)F)c(F)c3)CCN12 91863988 NDANMRKTRMGZFE-JTQLQIEISA-N 315.295 1.637 0 40 DDAB COc1cc2nc(C)sc2cc1NC(=O)[C@H]1CCC(=O)N1 69780528 XFZLVIFBJFZQOT-MRVPVSSYSA-N 305.359 1.830 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCOCC2)cc1 2698046 SBHKFZQJWBSJJD-AWEZNQCLSA-N 322.361 1.199 0 40 DDAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@@H](O)[C@H]1NC(C)=O 4531030 UEPLFYOSRDQVTQ-PNVOZDDCSA-N 319.401 1.807 0 40 DDAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCNC(=O)C1 7420558 OTLRWRMZOJFQBH-QMMMGPOBSA-N 316.188 1.752 0 40 DDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCC1 32820522 LIYVHQPZZIVRGC-UHFFFAOYSA-N 302.355 1.581 0 40 DDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2ccccc21 2644767 VKLAMINNAYMIMM-UHFFFAOYSA-N 321.336 1.279 0 40 DDAB c1cnnc(NC[C@@H]2CN(CCc3cccs3)CCO2)c1 78893702 CAVCKYKDQFKXRZ-CYBMUJFWSA-N 304.419 1.894 0 40 DDAB C[C@H](Cn1cccn1)C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69771560 QKYCLBRWVHOZOT-CABCVRRESA-N 322.453 1.070 0 40 DDAB Cc1nc(N2C[C@@H](O)C[C@@H]2C(N)=O)c2c(C)c(C)sc2n1 33010950 JDHXRPKUKXKKEC-VHSXEESVSA-N 306.391 1.041 0 40 DDAB COc1ccc([C@H](C)NC(=O)c2c(C(=O)O)cnn2C)cc1 20318455 ZBFBVUZSFOAOEB-VIFPVBQESA-N 303.318 1.618 0 40 DDAB Cn1/c(=N\C(=O)[C@H]2CC(=O)N(C3CC3)C2)sc2ccccc21 103718401 HAKRDVBZWCPCME-VXFCLOCWSA-N 315.398 1.678 0 40 DDAB CS(=O)(=O)Nc1nnc(NC(=O)C[C@H]2C=CCC2)s1 47293468 QBPWILXKTDZDSY-ZETCQYMHSA-N 302.381 1.204 0 40 DDAB COc1ccc2[nH]c(=O)c(/C=C3/SC(=N)NC3=O)cc2c1 21596689 XGVAXRQSHQJKJO-IZZDOVSWSA-N 301.327 1.675 0 40 DDAB Cc1ccc(-n2nnnc2NCCCCN2CCOCC2)cc1 54059967 FWJFYZUFTADVJP-UHFFFAOYSA-N 316.409 1.495 0 40 DDAB O=C1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCN1 23419986 DMNJTSQTYRKYGH-UHFFFAOYSA-N 310.357 1.322 0 40 DDAB Cc1nc(-c2cccs2)sc1C(=O)N1CCNC(=O)C1 23420310 YWZPGVMAIUKANZ-UHFFFAOYSA-N 307.400 1.752 0 40 DDAB CCOC(=O)[C@@](O)(NC(=O)Nc1ccccc1)C(F)(F)F 3138022 GBWHYVMJDUUHHP-NSHDSACASA-N 306.240 1.622 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCN(C[C@H]2CCCO2)CC1 23623940 CWTMPGCGYGUVDJ-OAHLLOKOSA-N 321.421 1.547 0 40 DDAB NC(=O)[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 54551201 GEUZTBGPWKHMRZ-CABCVRRESA-N 324.336 1.111 0 40 DDAB Cc1cccc(OC[C@@]2(CNCC(C)C)C[C@H](O)[C@H](O)C2)n1 107283855 ATVNVYJDECNEFG-SCAQPMJSSA-N 308.422 1.516 0 40 DDAB biogenic,in-vitro Cc1cccc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)c1 105882954 LSNBGLHKHHRRKI-OAHLLOKOSA-N 313.405 1.937 0 40 DDAB O=C(C1CC1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 24595080 HVUAEIUWVXNPQD-UHFFFAOYSA-N 320.364 1.746 0 40 DDAB Cc1nc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)no1 106776308 SEPWOOCHYPZFTG-BBRMVZONSA-N 316.405 1.618 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NOCc1ccccc1)CS2 25286512 ONAVIPQHPCMDES-DOMZBBRYSA-N 306.387 1.688 0 40 DDAB CCCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 25425748 UASOFRPQEUUGEB-UHFFFAOYSA-N 316.398 1.753 0 40 DDAB Cn1cnnc1SCCC(=O)Nc1ccc2c(c1)OCO2 10861616 JUXKIPBOIQZNFK-UHFFFAOYSA-N 306.347 1.665 0 40 DDAB CN(Cc1ccco1)S(=O)(=O)c1ccsc1C(=O)O 35126607 KNUCBJBHAXQNIW-UHFFFAOYSA-N 301.345 1.860 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)c2ccccc2C1 89930493 KQLIZSAKEUJCNJ-MRXNPFEDSA-N 301.390 1.476 0 40 DDAB COCc1ccccc1CNC(=O)N1CCC(C(N)=O)CC1 26390657 YCTIEBPVLLCLSN-UHFFFAOYSA-N 305.378 1.240 0 40 DDAB CCOc1ccc(CN(C)C(=O)[C@@H]2CCN(C)C(=O)C2)cc1 44303659 OQEHMBADUOWJAB-CQSZACIVSA-N 304.390 1.912 0 40 DDAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC2(CC1)OCCO2 26934746 PBBJTERTVIUBMV-HNNXBMFYSA-N 304.390 1.655 0 40 DDAB Cc1ccc(-c2nc(NC(=O)c3ccc(O)nn3)n[nH]2)s1 58265730 BTKMXVQKRIEDDI-UHFFFAOYSA-N 302.319 1.590 0 40 DDAB CN(C)[C@@H](CNC(=O)Cc1ccccc1C(=O)O)c1ccco1 44980283 IQNLEVLEPZAGSA-AWEZNQCLSA-N 316.357 1.939 0 40 DDAB O=C(NCc1ccc(-n2cncn2)cc1)Nc1nncs1 44972386 OYYDIZPJOBMNIU-UHFFFAOYSA-N 301.335 1.441 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1cccnc1 44950217 KIUSOYCTMOAMSA-UHFFFAOYSA-N 309.333 1.687 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1 44936030 DIVXOVYTVCHWLF-LBPRGKRZSA-N 309.391 1.649 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 58311033 USOQIUCBAQOXKG-AWEZNQCLSA-N 303.406 1.693 0 40 DDAB CC(C)NC(=O)N1CCC[C@H](C(=O)NO[C@H]2CCCCO2)C1 58419963 XETZTBPELJZHSA-STQMWFEESA-N 313.398 1.391 0 40 DDAB CS(=O)(=O)CCNC(=O)Nc1cccc(-n2cccc2)c1 67574774 OFODEVFRUIZONG-UHFFFAOYSA-N 307.375 1.643 0 40 DDAB COC(=O)CNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12770845 YJHHGYUGXYJXJO-UHFFFAOYSA-N 324.340 1.382 0 40 DDAB O=C(NCc1ccc(N2CCCCC2)nc1)NC[C@H]1CCOC1 48237911 GXJOUUGABJDJMK-OAHLLOKOSA-N 318.421 1.908 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCN(Cc2nccn2C)CC1 69529303 MPNOJWSGIQXDTJ-UHFFFAOYSA-N 322.844 1.433 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)CSCC(=O)c2ccccc2)C1 69569545 VYBXXLAQDXADCD-ZDUSSCGKSA-N 320.414 1.326 0 40 DDAB CCCNC(=O)CNC(=O)c1cc2ccc(OC)cc2nc1C 13013033 RYWHOJJNKMZQSG-UHFFFAOYSA-N 315.373 1.808 0 40 DDAB Cn1cnc(CNC(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 91773903 WULIIFDTHWCFBR-CYBMUJFWSA-N 319.340 1.237 0 40 DDAB O=C(CN1CCCC1)N1CCN(C(=O)NC2CCCCC2)CC1 69600467 ISCUZHNYMYQYRR-UHFFFAOYSA-N 322.453 1.269 0 40 DDAB Cc1cnc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cn1 69616758 IERWCCNKHFUIQC-GFCCVEGCSA-N 320.418 1.625 0 40 DDAB C[C@]12C(=O)N(C3CC3)CC(=O)N1CCc1c2[nH]c2ccccc12 4073626 PGTFBZQUXVTVSQ-SFHVURJKSA-N 309.369 1.772 0 40 DDAB biogenic Cn1c(O)c(C(=O)Nc2nccs2)c(=O)c2ccccc21 5730903 RLDFNXFWBJLDAW-UHFFFAOYSA-N 301.327 1.953 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNC[C@H]1CCCO1 6881769 MITYVVHGAMDZJY-HUUCEWRRSA-N 323.389 1.406 0 40 DDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccon3)CC2)cc1 67708361 CRLIFWRZWPDVGL-UHFFFAOYSA-N 315.329 1.281 0 40 DDAB O=C(Nc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 7666910 UPKNPQRZNBLTOS-UHFFFAOYSA-N 321.333 1.262 0 40 DDAB COc1ccc(Br)cc1CN(C)[C@@H](C)C(N)=O 7696667 LWJRAEVUMPIRDK-QMMMGPOBSA-N 301.184 1.763 0 40 DDAB CCSc1nnc(NC(=O)[C@H](NC(C)=O)C(C)C)s1 8938656 OCFBGRXRZPOBFG-MRVPVSSYSA-N 302.425 1.749 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCCN(c2nccs2)CC1 68270618 HDZMPDVSHRYWGR-GFCCVEGCSA-N 310.423 1.544 0 40 DDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc[nH]n1 77925705 PGQHHWKOSUCUBV-AWEZNQCLSA-N 312.329 1.405 0 40 DDAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N1CCNC1=O 7853468 BBCYEXWSRRZWPG-ZCFIWIBFSA-N 313.408 1.145 0 40 DDAB O=c1[nH]c(N2CC[C@H](CN3CCOCC3)C2)nc2ccccc12 78404477 XODNWSIPCZHDEV-CYBMUJFWSA-N 314.389 1.082 0 40 DDAB Cc1cc(C)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n1 9364954 NQSCKMWJSAZSBQ-UHFFFAOYSA-N 322.315 1.533 0 40 DDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)CCC(C)C)C2 306129453 IDSXPVALCURSDN-ZDUSSCGKSA-N 317.451 1.475 0 40 DDAB CN1C(=O)C[C@@H](NC(=O)c2cscn2)[C@H]1c1ccc(F)cc1 96485022 DAMPKUISBODYSZ-BXUZGUMPSA-N 319.361 1.984 0 40 DDAB O=C(NC[C@H](O)C1CCOCC1)[C@@H]1C[C@@]12CCc1ccccc12 96436989 ZAXNLPDQHFTIDI-JENIJYKNSA-N 315.413 1.794 0 40 DDAB Cc1nccc(CNC(=O)NCCN(C)C(=O)OC(C)(C)C)n1 71803899 IVJDCOWYOSLQSJ-UHFFFAOYSA-N 323.397 1.451 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1 71811749 RGHHUPCWLNGAJC-UHFFFAOYSA-N 316.361 1.657 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCC[C@@H]1Cn1cccn1 71866613 PQXZQVXNSVMBSX-CYBMUJFWSA-N 310.361 1.539 0 40 DDAB CC(=O)c1cccc(OC[C@@H](O)CN(CCO)CC2CC2)c1 71830716 HGHOUAWSNZCNPP-INIZCTEOSA-N 307.390 1.333 0 40 DDAB Cc1cn2nc(N[C@H]3CCCc4c3cnn4CCO)sc2n1 71811048 XVVPDQOJRNQZES-NSHDSACASA-N 318.406 1.778 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NCCNc1ncccn1 71914592 DZOJIZQHVHPDNX-UHFFFAOYSA-N 310.354 1.315 0 40 DDAB O=C(CCn1ccccc1=O)N1CCC[C@@H](c2ccn[nH]2)C1 72283059 VTTJYSINTIDHJY-CYBMUJFWSA-N 300.362 1.368 0 40 DDAB Cc1cc(C)n(-c2cncc(NCCC(=O)N3CCCC3)n2)n1 72283098 QKQUOZBDVUFNCU-UHFFFAOYSA-N 314.393 1.704 0 40 DDAB CCN(CC)C(=O)CCNC(=O)c1cc(F)c(F)c(O)c1F 97112459 HNVHJMQUIUUJJI-UHFFFAOYSA-N 318.295 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O=C(CN1CCN(c2nccs2)CC1)NCc1ccco1 44894354 JNIIHIGXKGJCIO-UHFFFAOYSA-N 306.391 1.175 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CCOc2ccccc21 44949801 UOADEHYHIIGWTP-HIFRSBDPSA-N 319.405 1.530 0 40 DDAB CN(Cc1ccncc1)C(=O)CN1C(=O)COc2ccccc21 44916201 CFRANQMUPHPSLK-UHFFFAOYSA-N 311.341 1.466 0 40 DDAB CCOCCCNC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC 58393670 WWVWWAQQOBPNTO-RYUDHWBXSA-N 302.440 1.477 0 40 DDAB CCCN(CCC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 12775215 RHNMUIZAGIJRGS-UHFFFAOYSA-N 319.448 1.901 0 40 DDAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)N1CCCCC1 28040867 MZVUXPUJUGFJDY-UHFFFAOYSA-N 324.450 1.502 0 40 DDAB CC[C@H]1CN(C(=O)COc2ccc(NC(C)=O)cc2)CCO1 58441602 HVJNJHUXMIPNCD-AWEZNQCLSA-N 306.362 1.661 0 40 DDAB C[C@H]1CCC[C@H](C)C12NC(=O)N(Cc1nnnn1C1CC1)C2=O 12778556 VFLWGIYQFFXQEZ-UWVGGRQHSA-N 318.381 1.255 0 40 DDAB O=C(NCCNc1ncccn1)NCC1(c2ccccc2)CC1 45376343 OHXYHNYOQXYIMG-UHFFFAOYSA-N 311.389 1.920 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)CCNC(=O)[C@H]1C[C@H]1C 48305195 KATJHVXOULIMCX-OCCSQVGLSA-N 319.405 1.647 0 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CCN(CC(=O)O)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 89961001 URQUNUNNLNCTIG-AWEZNQCLSA-N 318.373 1.472 0 40 DDAB CCc1cccc(C)c1NCC(=O)N1CCC[C@H](C(N)=O)C1 96453958 BQQUGLKVANSZHM-AWEZNQCLSA-N 303.406 1.693 0 40 DDAB c1ccc(-n2nnnc2CSc2nnnn2C2CC2)cc1 9515327 IKSWMYCZWMRUNM-UHFFFAOYSA-N 300.351 1.276 0 40 DDAB CC1CCN(C[C@@H](O)Cn2nc(-c3ccco3)oc2=O)CC1 71825105 ARHSFXZUYGDWRX-GFCCVEGCSA-N 307.350 1.189 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@@H]21 71822671 RTXSOLXIGUZAAQ-HOTGVXAUSA-N 312.373 1.590 0 40 DDAB CC(=O)c1ccccc1NC(=O)CSCCS(C)(=O)=O 71884082 OTUGMCYVXGHVIO-UHFFFAOYSA-N 315.416 1.606 0 40 DDAB CC(C)c1nc([C@H]2CCCN2Cc2nnnn2C2CC2)no1 75573283 XDSDHHJUUXFUQP-LLVKDONJSA-N 303.370 1.852 0 40 DDAB Cc1ccc2c(c1)cc(C(=O)NCCCN1CCOCC1)n2C 19991264 OBEUXDIQIJJFNR-UHFFFAOYSA-N 315.417 1.939 0 40 DDAB COC(=O)CCN(CCS(=O)(=O)c1ccccc1)C(C)C 71904919 KIZISDOLWBQDNX-UHFFFAOYSA-N 313.419 1.734 0 40 DDAB CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(Cl)c1 71920730 AHQKXYGRNJTXAR-SNVBAGLBSA-N 301.795 1.847 0 40 DDAB Cc1cnc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C2CC2)s1 72296834 BSEAIZNRWQEMQZ-GFCCVEGCSA-N 306.391 1.627 0 40 DDAB C[C@@H]1C[C@@H](N(C)C[C@@H](c2cccs2)N2CCOCC2)C(=O)O1 75603762 BGZZVRRPKMDHTI-MCIONIFRSA-N 324.446 1.757 0 40 DDAB CCS(=O)(=O)N1CCN(c2noc(-c3ccccc3)n2)CC1 97108532 MYDKWHULBWMGAP-UHFFFAOYSA-N 322.390 1.208 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@H]1N1CCOCC1 72300465 BQNQCBWKOHGWGP-MWQQHZPXSA-N 315.417 1.364 0 40 DDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1CN(C)C[C@@H]1C 76058384 LGPHCKVWBFYXSQ-GXFFZTMASA-N 314.455 1.309 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)OC3CCCC3)CCO2)n1 76045638 SNUBKRBAWWLMBE-MFKMUULPSA-N 308.382 1.361 0 40 DDAB COC[C@@H]1CN(C(=O)[C@]2(N(C)C)CCc3ccccc32)CCO1 95401344 JTQWMYYNVGZZNY-YJBOKZPZSA-N 318.417 1.264 0 40 DDAB CN(C)c1nc[nH]c(=O)c1NC(=O)c1ccc(Cl)c(F)c1 95452126 LRAVCROWMRTIDK-UHFFFAOYSA-N 310.716 1.881 0 40 DDAB CCNC(=O)NCCCOC(=O)c1ccnc(OC2CCC2)c1 95456261 WKWSGDOEOUCRIM-UHFFFAOYSA-N 321.377 1.879 0 40 DDAB COc1ccc([C@@H](CO)N(C)C(=O)c2cn(C)nc2C)cc1 95465494 XWRASCXJHRHFGO-OAHLLOKOSA-N 303.362 1.543 0 40 DDAB CS[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)SC)C[C@@H]1C 95962514 XGDRSUIHHHEPKN-AXFHLTTASA-N 304.481 1.549 0 40 DDAB Cn1cc(N2CCN(C[C@H](O)c3ccccc3F)CC2)cn1 74798703 UEJULAYSYDJMOG-INIZCTEOSA-N 304.369 1.415 0 40 DDAB Cc1ccc(CC(=O)NCc2nnc3nc(C)cc(C)n23)cc1 9908702 ZIMVUKFRCYPZPN-UHFFFAOYSA-N 309.373 1.908 0 40 DDAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cnccn1)C2 306124975 CDMHCVOOHIUPIQ-ZDUSSCGKSA-N 304.394 1.050 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)NCCCOC)ccc1C 408618032 CEUCPJFJNYUZBW-UHFFFAOYSA-N 314.407 1.060 0 40 DDAB Nc1ccc(NCc2ccc(S(N)(=O)=O)cc2)c(C(=O)O)c1 408712632 CYXMZOAXXWWNPL-UHFFFAOYSA-N 321.358 1.227 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc(OC)cc1 408732818 ZQBVWLQUCZEOHV-ZDUSSCGKSA-N 305.334 1.472 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC(O)CC1 33015066 DKGSMDAYXUWNOF-HNNXBMFYSA-N 323.389 1.094 0 40 DDAB Cc1nn(C)c2c(=O)n(C(C)C)c(NC[C@H]3CCCO3)nc12 32652094 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COc1ccccc1C1=NO[C@@](C)(C(=O)NC[C@@H]2CCCO2)C1 222284395 ZQJYJZBAPQEICJ-YVEFUNNKSA-N 318.373 1.874 0 40 DDAB Cc1noc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)n1 44454830 HQGCATBTVGSNTC-UHFFFAOYSA-N 315.308 1.848 0 40 DDAB CN(C)C(=O)CCNC(=O)[C@]1(C)CC(c2ccccc2F)=NO1 223297491 OEVWLLFLATUVKZ-INIZCTEOSA-N 321.352 1.303 0 40 DDAB COC(=O)c1ccc(CN2CCNC(=O)[C@@H]2c2cccs2)o1 96443544 NKBCTFAWADWJJT-ZDUSSCGKSA-N 320.370 1.801 0 40 DDAB Cn1ncnc1CN1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 97103513 YALJKFZVRZQXFG-BETUJISGSA-N 321.425 1.789 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(OC)cc1)CC[C@H]2OC 96108526 OZRLFKAEVKHREW-GVDBMIGSSA-N 318.417 1.876 0 40 DDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCC1CCC1 96473517 USDMFCZUJMTTIO-GFCCVEGCSA-N 307.398 1.749 0 40 DDAB CCOC(=O)c1cnc(N2CCN(Cc3ccno3)CC2)s1 96443548 MOPYGSUYHOKMLB-UHFFFAOYSA-N 322.390 1.630 0 40 DDAB O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)CN(C(=O)c1ccco1)C2 96252315 XTWSXWJFOYPEHL-TXEJJXNPSA-N 320.345 1.065 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@H]12)C1CC1 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1.755 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)CN3CSCC3=O)sc2C1 40462179 KUYHVUIADWVWGQ-MRVPVSSYSA-N 311.432 1.739 0 40 DDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)N1CCc2ccccc21 40498856 FRCALFRXBUYFKC-ZDUSSCGKSA-N 309.387 1.170 0 40 DDAB COC(=O)c1oc(Cn2nnn(-c3cccs3)c2=O)cc1C 31609769 XGTWDAMIUOIJFU-UHFFFAOYSA-N 320.330 1.227 0 40 DDAB CC1CCN(CCNC(=O)c2n[nH]c(=O)c3ccccc23)CC1 40535629 OCFNOOTYDSIPAL-UHFFFAOYSA-N 314.389 1.385 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2cc(C)sc2C)C1 40597568 OFDPXVZUBAGYKW-GFCCVEGCSA-N 302.465 1.985 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@@H]3CCOC3)ccc21 40514312 CRKXDFPSBQKSKV-LBPRGKRZSA-N 315.373 1.491 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)C1=Cc2cc(Cl)ccc2OC1 40521726 GQFNHPCJIHTJND-ZDUSSCGKSA-N 320.776 1.901 0 40 DDAB CNC(=O)C1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 29165127 JMNMOQXPAKFUHG-UHFFFAOYSA-N 322.409 1.369 0 40 DDAB Cc1cc(C)cc(NC(=O)CCN2CCC(C(N)=O)CC2)c1 254586 MBFAFIQCWLPFQG-UHFFFAOYSA-N 303.406 1.829 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)c1 82314537 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O=C1COc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2N1 12290363 TXBYSDRLIMEKHF-UHFFFAOYSA-N 312.281 1.999 0 40 DDAB Clc1snnc1CN1CCN(Cc2ccccn2)CC1 54187183 ZWLNPSAHBCSLIU-UHFFFAOYSA-N 309.826 1.904 0 40 DDAB O=C(Nc1cccc2cccnc12)N[C@@H]1CCS(=O)(=O)C1 43529133 QJSBCTCKOJYDHB-LLVKDONJSA-N 305.359 1.543 0 40 DDAB Cn1cc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cn1 25309824 WUZKUWHVGKHYKF-UHFFFAOYSA-N 302.334 1.504 0 40 DDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)c1ccccc1 28206710 BMVJSWYXXSCELJ-NSHDSACASA-N 316.382 1.925 0 40 DDAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2OC(F)F)C[C@@H]1O 108153142 MTKXATNXISNSHJ-FOGDFJRCSA-N 314.332 1.928 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)o1 44297442 IBTHCUXWLDQQFM-QMMMGPOBSA-N 315.167 1.735 0 40 DDAB C[C@H](NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 108371049 KERQVAZAWJABMB-XIRDDKMYSA-N 305.422 1.470 0 40 DDAB CCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 58439667 RYROZVJZAKPJJU-GFCCVEGCSA-N 320.389 1.925 0 40 DDAB O=C(NCCc1nccs1)[C@H]1CCCN(c2ncccn2)C1 50468591 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COc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 12789460 BDMITGALOXQBET-NSHDSACASA-N 316.409 1.721 0 40 DDAB COc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 12817543 RDYVQJFMDZESPI-UHFFFAOYSA-N 312.325 1.956 0 40 DDAB CN(C)C[C@@H]1CN(CC(=O)NCCC2=CCCCC2)CCO1 69951246 KLCCZZVYDSAXFJ-MRXNPFEDSA-N 309.454 1.256 0 40 DDAB CCn1ccnc1S(=O)(=O)Cc1ncn(-c2ccccc2)n1 92210411 OGHXOCIDULKMLD-UHFFFAOYSA-N 317.374 1.458 0 40 DDAB COc1c(CNC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(C)nn1C 65475075 KYBMQBBIHJZETK-UPJWGTAASA-N 310.442 1.324 0 40 DDAB Cc1cc(NC(=O)Cn2c(-c3ccccc3C)noc2=O)no1 65552244 OZYCGILTKRQDGB-UHFFFAOYSA-N 314.301 1.747 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 65530187 NIYDQEASZLZISE-GFCCVEGCSA-N 323.356 1.452 0 40 DDAB COc1ccc2nc(NC(=O)CCn3cnnn3)sc2c1 4721503 CSQWHPZOQOZVPJ-UHFFFAOYSA-N 304.335 1.320 0 40 DDAB Cc1ccc(NC(=O)COCC(=O)NCc2ccco2)cc1 4700271 JSPYXAUNCTYQDE-UHFFFAOYSA-N 302.330 1.860 0 40 DDAB C[C@H](CN1CCOCC1)Nc1ncc(Br)cn1 67119842 UZOGJIQPGQFLKU-SECBINFHSA-N 301.188 1.372 0 40 DDAB Cn1nnc(-c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2)n1 71285027 NDOMSNUSYAYMSP-GHMZBOCLSA-N 315.333 1.172 0 40 DDAB O=S(=O)(CCn1nnc2ccccc21)NC1CCCCC1 15780424 ZNZMWYYTKRNXIW-UHFFFAOYSA-N 308.407 1.683 0 40 DDAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCSc1ncn[nH]1)C[C@@H]2O 67954315 MDWQHUBGSGLVBD-VQISRLSMSA-N 324.450 1.590 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 68563267 HKJGSLGPOOZROJ-NFMDPKQHSA-N 312.435 1.394 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)/C=C/c2ccccc2)cn1 7871532 KATFHWVLNIQILE-CSKARUKUSA-N 309.369 1.949 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C[C@H](O)CN1CCCC1 69157792 FUXOCPXVOUPGDT-KRWDZBQOSA-N 315.421 1.156 0 40 DDAB CSCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)O 8238203 OLZMFHFHYJXQLF-LLVKDONJSA-N 300.355 1.831 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CCN(C[C@@H](C)O)CC1 70040980 QKUCMVWBROUOFR-CQSZACIVSA-N 306.406 1.071 0 40 DDAB CCOc1ccc(CC(=O)N2CCN(C[C@@H](O)CC)CC2)cc1 70004685 TWWGYOQLZPSQOL-INIZCTEOSA-N 320.433 1.543 0 40 DDAB O=C(CN1CCc2cncnc2C1)N1CCc2sccc2C1 69538681 PIGONXSJYBLZLF-UHFFFAOYSA-N 314.414 1.481 0 40 DDAB Cc1cnc(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cn1 69507832 DWVOSFIXJFSYGR-AWEZNQCLSA-N 302.359 1.814 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)NC(C)C)cc1OCC 17301033 XLPASPASVMEGKG-UHFFFAOYSA-N 308.378 1.738 0 40 DDAB CCN(CCCNC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C 69665552 FRCYOAISUGKTMJ-LLVKDONJSA-N 313.398 1.028 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NC(C)(C)C 9434517 MHACOCAKFANQFF-LLVKDONJSA-N 300.399 1.385 0 40 DDAB CS(=O)(=O)NCCNCc1cccc(OC(F)(F)F)c1 71794748 MXSSUVLAWWHADR-UHFFFAOYSA-N 312.313 1.224 0 40 DDAB C[C@H]1CCC[C@H](C)C1NC(=O)NCC(=O)NCC(F)(F)F 96448365 QALSSZJCBCYEMM-IUCAKERBSA-N 309.332 1.789 0 40 DDAB CCc1nc(CN2CCC[C@@H](N(C)CCn3cccn3)C2)no1 71882278 CUNAEYVFJBQZLZ-CQSZACIVSA-N 318.425 1.425 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3cscn3)CC2)nn1 71863614 FOVQMXHLEKHWDT-UHFFFAOYSA-N 303.391 1.958 0 40 DDAB CCCN1CCC(NC(=O)NCc2cccc(C(N)=O)c2)CC1 71885912 NKBVVMZLUHIKDT-UHFFFAOYSA-N 318.421 1.459 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)Cc1c(C)noc1Cl 71904569 VYHSLTJPBKZPMC-SSDOTTSWSA-N 308.787 1.118 0 40 DDAB COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br 9690544 UWNRDWVMSVHXGI-UHFFFAOYSA-N 322.180 1.486 0 40 DDAB Cc1cccn2cc(CNS(=O)(=O)c3ccccn3)nc12 97054268 JUFDXPNGFDSOKT-UHFFFAOYSA-N 302.359 1.516 0 40 DDAB O=C(c1ccc(-n2cccc2)c(F)c1)N1CCCS1(=O)=O 72271770 UIDNSAGOYYWMBH-UHFFFAOYSA-N 308.334 1.792 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(OC(F)F)cc1 72270046 GLYQRPGDRCZSCG-SECBINFHSA-N 313.304 1.318 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NCC[C@@H](O)C(C)C)CC2=O)cc1 76022723 QHJLAWVLGFLZSM-GOEBONIOSA-N 318.417 1.871 0 40 DDAB CNC(=O)Cn1cnc(NC(=O)c2ccc(C(C)C)s2)n1 97137620 NGEPQPZCOQILDN-UHFFFAOYSA-N 307.379 1.461 0 40 DDAB CNS(=O)(=O)c1cccc(CNCc2ccc(OC)cc2)c1 66988919 FTWJXWBXXBFCMD-UHFFFAOYSA-N 320.414 1.893 0 40 DDAB CC(=O)NCC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 97235928 XJKQNDXRYQAUJM-SECBINFHSA-N 302.296 1.889 0 40 DDAB CN1C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CCC1=O 78841768 JFGQMBVJNAYZNH-LBPRGKRZSA-N 314.307 1.985 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCCOc1ncccc1Cl 84647104 SRXDINRBJSQLFI-NSHDSACASA-N 323.784 1.698 0 40 DDAB C[C@@H](CNC(=O)NCCc1cccs1)CN1CCN(C)CC1 78869501 MKLNVIGNBNGPAN-AWEZNQCLSA-N 324.494 1.473 0 40 DDAB CC(=O)N1CCN(C(=O)CN2CCc3ccccc32)[C@@H](C)C1 84714994 LKTHNQNVBPZOOA-ZDUSSCGKSA-N 301.390 1.128 0 40 DDAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C2=CCCCO2)cn1 95445997 GRZGJEVSLKAHTF-ZDUSSCGKSA-N 303.362 1.678 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1cn[nH]c1C(C)(C)C 95400393 ICTKDIMYZFGLOC-UHFFFAOYSA-N 311.411 1.261 0 40 DDAB CC1(C)CN(C(=O)CCc2cccc(F)c2)CCS1(=O)=O 95410811 WYSDSVWMHHCEKD-UHFFFAOYSA-N 313.394 1.794 0 40 DDAB CC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 95413855 VZNLTSUEMHUGBK-OLZOCXBDSA-N 305.334 1.044 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cl)C2=O)cn1 98010388 WYDNNLKRIQOHQA-ZDUSSCGKSA-N 318.764 1.609 0 40 DDAB CCn1cc([S@](=O)Nc2ccc([S@](C)=O)c(F)c2)cn1 79112757 BSTPUTDWXPJHRI-WOJBJXKFSA-N 315.395 1.914 0 40 DDAB CCn1cc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cn1 95969568 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CN(Cc1nnc2ccccn12)C(=O)c1ccc(N(C)C)nc1 79333511 KXRLDAKXSURZNX-UHFFFAOYSA-N 310.361 1.463 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)no1 44226092 ROTWEZXGKVOCFH-ONGXEEELSA-N 323.374 1.719 0 40 DDAB COc1cccc2c1CC[C@]2(N)C(=O)NCc1cc(C)[nH]n1 1579291677 OJEULDHGJXEHCG-MRXNPFEDSA-N 300.362 1.143 0 40 DDAB CC[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223363003 DZVVDJJNJZWOFB-WCQYABFASA-N 318.373 1.821 0 40 DDAB O=C(Nc1ccc(F)cc1)c1n[nH]c2c1CS(=O)(=O)CC2 41120929 AEHMXXPALOQQNW-UHFFFAOYSA-N 309.322 1.272 0 40 DDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2nccs2)cc1 223293893 PFOGWUKCBBSRRJ-QPJJXVBHSA-N 323.399 1.703 0 40 DDAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2C)c(N)n1 49410956 GQMJPGPEOKVJEI-UHFFFAOYSA-N 304.325 1.474 0 40 DDAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)c4ccco4)C[C@H]3O2)n1 96046207 OAINVYDTHWWRJH-CYZMBNFOSA-N 302.334 1.698 0 40 DDAB C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1c(F)cccc1F 97095155 ABGOTYSKSOITDU-MNOVXSKESA-N 314.332 1.646 0 40 DDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(c1ncccn1)CC2 96201571 FGDPLBZAQUOFOI-ZDUSSCGKSA-N 316.405 1.473 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2O)n[nH]1 95951680 BBJFHFLCYYEGFF-UHFFFAOYSA-N 320.308 1.974 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC[C@]2(CCOC2)C1 97227605 UTJYPAGSMHALPI-NUJGCVRESA-N 324.465 1.810 0 40 DDAB C[C@@H]1CN(C(=O)CN(C)[C@@H](CCO)c2ccccc2)C[C@@H](C)O1 96441580 BQCPAODXEUXVLU-INMHGKMJSA-N 320.433 1.678 0 40 DDAB CN1CC[C@@H](NC(=O)Nc2ccc(F)c(-n3cccc3)c2)C1=O 96415997 NMTOIYUQADENNI-CYBMUJFWSA-N 316.336 1.969 0 40 DDAB Cc1nccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 97198168 IKZLGBLFVYJAFX-NSHDSACASA-N 300.366 1.245 0 40 DDAB c1cnc(N2CCn3c(COCc4cccnc4)nnc3C2)nc1 96084435 FFFDBVJSFGSHEP-UHFFFAOYSA-N 323.360 1.200 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4cscn4)C[C@H]3O2)no1 96070624 KODMIICSXDOUCY-MVWJERBFSA-N 320.374 1.827 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1c(C)noc1C 96056489 CQUITKGKHFRSFB-CABCVRRESA-N 307.394 1.503 0 40 DDAB Cc1noc(-c2cccnc2N(C)C[C@H]2CCS(=O)(=O)C2)n1 96429561 MFMLYFPSOXSZRD-LLVKDONJSA-N 322.390 1.311 0 40 DDAB O=[N+]([O-])c1cc(S(=O)(=O)NC2CC2)ccc1Br 95836960 KHIYLDKUMPVDIV-UHFFFAOYSA-N 321.152 1.798 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(c1ncccn1)C2)c1ccccc1 96207779 UWHAZOGCEFJODF-QAPCUYQASA-N 324.384 1.359 0 40 DDAB COCCN1CCC(c2cnc(N3C[C@H](C)OC3=O)cn2)CC1 257253925 KAWPVHCYTJKFHH-LBPRGKRZSA-N 320.393 1.648 0 40 DDAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncnc1 257236564 HCSWMUVCWRTDNY-QSJFSLAZSA-N 300.406 1.954 0 40 DDAB C[C@]1(O)CN(C(=O)Cn2ccnc2)CC[C@@H]1Oc1ccccc1 257322516 WGGYMIPQRGFYQM-RDJZCZTQSA-N 315.373 1.314 0 40 DDAB Cn1cc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)cn1 257272362 NCDJIGMYILKFJJ-INIZCTEOSA-N 315.377 1.556 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2cscn2)n1 257285425 PHAYDZGYMHRWPN-AWEZNQCLSA-N 317.418 1.972 0 40 DDAB Cc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CC1CC1 257234983 GVWGAMTVHXLNPR-ZDUSSCGKSA-N 300.406 1.941 0 40 DDAB C[C@@H](C(=O)O)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 263541220 CWMLIAKWGZIBLB-KCJUWKMLSA-N 310.737 1.060 0 40 DDAB C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCc2nn(C)cc2Cl)C1 263147882 FDIJPMMBSNZYNR-RKDXNWHRSA-N 314.773 1.326 0 40 DDAB Cc1cc(C(=O)N2CC[C@@](F)(C(=O)O)C2)ccc1-n1cncn1 262781511 NJGKTRGCEZWUSR-HNNXBMFYSA-N 318.308 1.215 0 40 DDAB Cc1cc(C(=O)N2CC[C@](F)(C(=O)O)C2)ccc1-n1cncn1 262781513 NJGKTRGCEZWUSR-OAHLLOKOSA-N 318.308 1.215 0 40 DDAB C[C@]1(c2ccc(C(=O)N3CCC=C(F)C3)cc2)NC(=O)NC1=O 273023212 CLACIFJQUWIACZ-MRXNPFEDSA-N 317.320 1.441 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 575403911 IPSOTDJLJPYIED-MRXNPFEDSA-N 315.373 1.457 0 40 DDAB O=C(N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21)C1(F)CC1 585108530 BLSBUHHKPFKKCW-ILXRZTDVSA-N 320.364 1.859 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCCc3ccccc31)C2 69489200 KTWYYJXVYOSIEU-UHFFFAOYSA-N 311.389 1.382 0 40 DDAB Cn1cnnc1CCNC(=O)c1csc(-c2cccs2)n1 69780440 QMFZWOJYRSBZSI-UHFFFAOYSA-N 319.415 1.973 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCCn2cncn2)n1 70006903 LRSBWRDXPVQMRQ-HNNXBMFYSA-N 316.409 1.563 0 40 DDAB O=C(c1ccc(Cl)s1)N1CCN(C[C@@H](O)C2CC2)CC1 85436698 JNTVAPQAYQDNGZ-LLVKDONJSA-N 314.838 1.930 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1 75156896 PNYQNNKNNMBQPM-WDEREUQCSA-N 303.355 1.416 0 40 DDAB O[C@]1(CNCc2cc(F)ccc2Br)CCOC1 90193642 LPNHHZUYFSEGNZ-LBPRGKRZSA-N 304.159 1.829 0 40 DDAB CN(CCCNC(=O)CN1CCSC1=O)c1ccccc1 12522291 QAXQBQLHEHAXAW-UHFFFAOYSA-N 307.419 1.798 0 40 DDAB CCCn1c(=O)c2ccccc2n2c(SCCO)nnc12 12533173 IRGPOYOPNVJAPT-UHFFFAOYSA-N 304.375 1.539 0 40 DDAB CCc1ccc(CN(C)C(=O)CC[C@H]2NC(=O)NC2=O)cc1 13986196 ALKOMNMVOJOZIY-CYBMUJFWSA-N 303.362 1.196 0 40 DDAB Cc1ccc2c(c1)CCCN2C(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 17052371 BXAVNXVDXRXTPD-UGUYLWEFSA-N 313.353 1.928 0 40 DDAB O=C(c1ccccn1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19399975 RPPYSVPIJSXMHS-ZDUSSCGKSA-N 324.384 1.604 0 40 DDAB CC[C@@H](NC(=O)c1cc(=O)[nH]c(C)n1)c1ccc(OC)cc1 19500503 RIXZWGDLSSMZIX-CYBMUJFWSA-N 301.346 1.968 0 40 DDAB O=C(COC(=O)c1ccncc1)NC(=O)NCc1ccccc1 3301040 FRQBVAQGWRPXFE-UHFFFAOYSA-N 313.313 1.264 0 40 DDAB COCCN(Cc1ccccc1)C[C@@H](O)COC[C@@H]1CCCO1 7015482 XRWCDBJOPYEFGF-MSOLQXFVSA-N 323.433 1.692 0 40 DDAB Cc1cncc(N2CCN(c3nc(C)cc(N(C)C)n3)CC2)n1 1889078145 YRJOQXDTJZNFFF-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB Cc1c(C(=O)N2CCO[C@](C)(C(N)=O)C2)[nH]c2ccc(F)cc12 1848351989 LELKBMPOMKBAOW-INIZCTEOSA-N 319.336 1.332 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCN([C@@H]3CCOC3=O)CC2)c1 27451019 IRVGDEWQMOLDEP-OAHLLOKOSA-N 302.374 1.377 0 40 DDAB O=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCO2 28050702 HNGJMBIVBCRNKT-UHFFFAOYSA-N 317.794 1.868 0 40 DDAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(O)ncn1 245060706 PXDHWRZNMGUVEH-UHFFFAOYSA-N 312.373 1.577 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@H]2CCN(c3cnccn3)C[C@@H]2C1 1565554532 UOMUQBWTYLVHMK-DGCLKSJQSA-N 322.359 1.807 0 40 DDAB CCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055714880 WHMBLZIUXSQJBR-LBPRGKRZSA-N 306.410 1.452 0 40 DDAB CCn1cc(CN2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)cn1 2055841061 YMZHUSYXYGRSNK-HOTGVXAUSA-N 301.394 1.706 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCCn2ncccc2=O)c1 23242008 OZJDZUWURZLNEP-UHFFFAOYSA-N 321.402 1.229 0 40 DDAB COCCn1/c(=N\C(=O)c2ccnn2C)sc2ccccc21 101335295 WYZVBGZPLDHZIF-BMRADRMJSA-N 316.386 1.824 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 40105106 DYRQXZHVXGJBGG-ILXRZTDVSA-N 317.499 1.673 0 40 DDAB Cc1n[nH]c(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 50247773 DQCNFBZMNXECCH-LBPRGKRZSA-N 305.407 1.941 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n(C)n1 40512268 PGGGEDYRPIZERO-MRVPVSSYSA-N 304.272 1.078 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)no1 40516159 VBIKVDQOTNBADT-LLVKDONJSA-N 306.343 1.259 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)C[C@@H](C)O1 40510962 HGJZZRZPAPNECG-VXGBXAGGSA-N 316.361 1.700 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](c1ccccc1)N2 31890736 WSUOBCJBQQLCLY-ZDUSSCGKSA-N 303.343 1.439 0 40 DDAB O=C(O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 248568 NYCJFDQLNWQJAX-UHFFFAOYSA-N 302.311 1.498 0 40 DDAB C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(N)=O 11548051 NOMWTQOIEGYCDR-SECBINFHSA-N 317.320 1.531 0 40 DDAB O=C(CN1CCC[C@H]1CN1CCCCC1)NCC(F)(F)F 69078527 HMCOLYGWLJMYEJ-LBPRGKRZSA-N 307.360 1.615 0 40 DDAB C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccn1 8164280 BJWPKGZLIBAVIK-LLVKDONJSA-N 304.371 1.976 0 40 DDAB CN(CC(=O)NC(C)(C)C)Cn1nc(-c2ccccc2)oc1=O 29502681 ZGHGKHPZPDZSKL-UHFFFAOYSA-N 318.377 1.307 0 40 DDAB Cc1nnnn1-c1cccc(NCC(=O)NCC(F)(F)F)c1 29690008 APAZVQOSFWNPFZ-UHFFFAOYSA-N 314.271 1.061 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 29782780 AZPZZWGRHGCTCU-CQSZACIVSA-N 314.393 1.085 0 40 DDAB Cn1ccs/c1=N\C(=O)CCn1c(=O)n(C)c2ccccc21 21397256 SSXLAQMDZFYCOQ-PEZBUJJGSA-N 316.386 1.258 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cccn2C)cc1 2663473 FSUNTZLKTAOGLW-LBPRGKRZSA-N 316.357 1.895 0 40 DDAB CC[C@@H](CCO)NS(=O)(=O)c1cccc2ccc(C)nc12 89943298 NTSUGBZUJYCGIA-ZDUSSCGKSA-N 308.403 1.983 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC(=O)NC1 89949274 BKXFJRLMJBRPCC-UKRRQHHQSA-N 315.417 1.770 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 8225369 CTJLQNHMHBTLFQ-UHFFFAOYSA-N 312.435 1.595 0 40 DDAB Nc1nnc(CCC(=O)Nc2cc(Cl)ccc2Cl)n1N 8653186 HZQNPMNVGSRMJS-UHFFFAOYSA-N 315.164 1.452 0 40 DDAB COC(=O)CCCNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 32971832 YUMJDVUFMBJXPM-OAHLLOKOSA-N 321.373 1.927 0 40 DDAB C[C@H]1CN(C)CCN1CC(=O)N1CCC(c2ccccc2)=N1 89938922 JTUBLUFGSNUSSJ-AWEZNQCLSA-N 300.406 1.259 0 40 DDAB CN(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O 22606505 ZPIGAICCDYKJMF-UHFFFAOYSA-N 311.190 1.823 0 40 DDAB COc1ccc(OC)c([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)c1 12322697 FRTJGPRARQWRGO-GFCCVEGCSA-N 316.317 1.587 0 40 DDAB CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1C(F)(F)F 76051737 PTZMFHWNLZKGSS-KOLCDFICSA-N 318.343 1.944 0 40 DDAB NC(=O)CN(C1CCCC1)S(=O)(=O)/C=C/c1ccccc1 47281751 CYTJMOQIRBKSIJ-ZHACJKMWSA-N 308.403 1.717 0 40 DDAB CCc1nc(C)ncc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76054701 QKMZLACTHMDIKM-LRDDRELGSA-N 318.421 1.140 0 40 DDAB Cc1ccc(CCCNC(=O)CCSCC(N)=O)c(C)c1 23082411 VDZWDARAZUNHGM-UHFFFAOYSA-N 308.447 1.961 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN(C)CC1 22239091 HEFBXQGDADOMRQ-JTQLQIEISA-N 304.316 1.545 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NCc2ccccn2)cc1 47596456 REYMOUXPOHDDKB-UHFFFAOYSA-N 319.386 1.485 0 40 DDAB COC(=O)[C@H](C)OC(=O)c1ccc(CNC(=O)NC(C)C)cc1 24753461 VSJBYBUXCQOPND-NSHDSACASA-N 322.361 1.613 0 40 DDAB COCCNC(=O)CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C 76955549 IAKFYIXDBLFXPV-GJZGRUSLSA-N 304.390 1.320 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)N2CCCCCC2)CC1 71185854 RTLJJITZQSHVML-UHFFFAOYSA-N 316.467 1.887 0 40 DDAB CC(C)OC(=O)Nc1nn(C)cc1S(=O)(=O)N1CCCC1 57478206 WWGMXOIPAQDQOH-UHFFFAOYSA-N 316.383 1.162 0 40 DDAB COc1cc(CNc2cn[nH]c2)cc(Cl)c1OCC(N)=O 35764003 YTUJEQDTXDGNOK-UHFFFAOYSA-N 310.741 1.548 0 40 DDAB COc1ccc(CNC(=O)NCc2cccc(C(N)=O)c2)cc1 27349181 PCDGIROWNXKLPC-UHFFFAOYSA-N 313.357 1.794 0 40 DDAB O=C(NC[C@@H](O)COc1cccc(F)c1)Nc1nccs1 44969925 IIBRVMDDEGLAJF-SNVBAGLBSA-N 311.338 1.844 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1cc2ccccc2[nH]1 44972601 HCGQDYHNZDGXHO-UHFFFAOYSA-N 303.343 1.593 0 40 DDAB CC[C@@H](OC)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 58417647 KZLGNHMKEJSNDG-GFCCVEGCSA-N 309.366 1.585 0 40 DDAB CN(CC(=O)N[C@@H]1C[C@H]1c1ccccc1)c1ncnc2[nH]cnc12 62300445 RUBNOWCANKMFPZ-QWHCGFSZSA-N 322.372 1.461 0 40 DDAB O=C(Nc1nccs1)N1CCN(Cc2cscn2)CC1 48954778 YDRFBNUZWBOIRB-UHFFFAOYSA-N 309.420 1.949 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1cccnc1SC(F)(F)F 64099266 MXJNZIJDUMBEMB-QMMMGPOBSA-N 319.308 1.702 0 40 DDAB Cc1ccc(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 69668186 AOZPZCPGQWSGDK-GDBMZVCRSA-N 304.390 1.353 0 40 DDAB OCCN(CCO)c1ncnc2c1oc1ccc(Cl)cc12 5193374 YCRWNKGJOSYPQR-UHFFFAOYSA-N 307.737 1.820 0 40 DDAB CCN1CCN(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 65415589 KBJPIFMJDJSAFO-UHFFFAOYSA-N 317.437 1.529 0 40 DDAB CN1C[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1=O 65459487 XDWMMCMMIHCQMU-CVEARBPZSA-N 315.417 1.246 0 40 DDAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1 65530346 NMGWKDQQRZUEPX-OAHLLOKOSA-N 312.373 1.264 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCCc2ccc3c(c2)OCO3)c1 14161426 VXNZTIKLOLJVCX-UHFFFAOYSA-N 300.314 1.919 0 40 DDAB C[C@@H](O)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5426496 LMFZAWXLAJFKLM-BMIGLBTASA-N 304.346 1.441 0 40 DDAB O=C(NC1CCN(C2CC2)CC1)c1n[nH]c(=O)c2ccccc12 14528259 WESMPLAVKUPBMG-UHFFFAOYSA-N 312.373 1.280 0 40 DDAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ncccc1C(F)(F)F 92496505 COTSLANLDCTGLX-MRVPVSSYSA-N 313.279 1.594 0 40 DDAB CSC[C@H](C)NC(=O)NCc1ccc([S@](C)=O)cc1 80144904 XPYUVTYDVLDBIV-APBUJDDRSA-N 300.449 1.975 0 40 DDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCNC(=O)C2)c(C)c1C 7216360 VKJWSBGIJHETRZ-UHFFFAOYSA-N 310.419 1.349 0 40 DDAB O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 8921413 PHFAFJARRQFKFM-KRWDZBQOSA-N 321.384 1.816 0 40 DDAB COCc1cc(NC(=O)N2CCC(c3ccn[nH]3)CC2)ncn1 93328796 WCTWYLLVYNKMBV-UHFFFAOYSA-N 316.365 1.758 0 40 DDAB Cc1noc2ncc(NC(=O)[C@@H]3CCc4nnc(C)n4C3)cc12 84067939 DNRDLCDKGAGMCG-SNVBAGLBSA-N 312.333 1.632 0 40 DDAB CCc1nc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)no1 96404007 RZUFUSMXWUEAAI-UHFFFAOYSA-N 322.328 1.576 0 40 DDAB CCc1nnc(CN2CCCN(C(=O)c3ccncc3)CC2)o1 71850376 DWKYNTFNJJIDHN-UHFFFAOYSA-N 315.377 1.375 0 40 DDAB COc1ncccc1C(=O)N1CCC(c2nc(C)no2)CC1 71817159 PFNWISDBDCQHGJ-UHFFFAOYSA-N 302.334 1.801 0 40 DDAB Cc1cc(N2CCN(C(=O)[C@H]3CCOC3)CC2)nc(C(C)C)n1 71834621 ZQTJTTJJCFGPGO-AWEZNQCLSA-N 318.421 1.594 0 40 DDAB Cc1ccccc1OCCCNC(=O)N[C@H]1CCCCNC1=O 71856664 ONINPHUKRQDUIZ-AWEZNQCLSA-N 319.405 1.732 0 40 DDAB COCCc1noc(CN2CCC[C@H](c3ccnn3C)C2)n1 72270999 MQIRXTHSJIMMOT-LBPRGKRZSA-N 305.382 1.372 0 40 DDAB CN(CCCC(=O)O)C(=O)c1ccc(OCC(F)(F)F)nc1 72291217 QYLSJFYTJJZTSD-UHFFFAOYSA-N 320.267 1.960 0 40 DDAB CN1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1=O 72293607 APYFJHPBBNVYIZ-UHFFFAOYSA-N 319.361 1.863 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1ccc(-n3cccn3)cc1)CC2 72302436 XZAZJQLOTVMUSE-UHFFFAOYSA-N 321.384 1.524 0 40 DDAB CC(C)COC1CCN([C@H](C)C(=O)Nc2ncccn2)CC1 84544384 GUQFZMWYJMBZDP-CYBMUJFWSA-N 306.410 1.941 0 40 DDAB Cc1nc(C(C)(C)NCCC(=O)N2CCOCC2)sc1C 72866326 DQHJDYOQIXYGLK-UHFFFAOYSA-N 311.451 1.834 0 40 DDAB Cc1noc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)n1 95463392 JRRKCDNYPXRRKC-UHFFFAOYSA-N 318.377 1.861 0 40 DDAB NC(=O)c1cccc(CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 95988044 TWIUMNUKQGVMIM-XHSDSOJGSA-N 300.402 1.875 0 40 DDAB CC(C)OC(=O)C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccccc1 95971662 ZPANXBHZNWLSIM-PBHICJAKSA-N 322.380 1.887 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccnc(N(C)C)c2)c(=O)[nH]1 75110999 NCLALXYNPVBYSH-UHFFFAOYSA-N 300.362 1.383 0 40 DDAB Cn1ccnc1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 89662211 OJEQLCQMZAZWKR-GFCCVEGCSA-N 322.409 1.940 0 40 DDAB Cc1nnc2n1C[C@@H](CNC[C@@H](O)c1ccc(F)cc1)CC2 89740897 WZEGMBUPRXMVRR-IUODEOHRSA-N 304.369 1.611 0 40 DDAB O=C(CNC(=O)Nc1cccc(-c2nccs2)c1)NCCO 89780554 GPLBBBKALXIAHF-UHFFFAOYSA-N 320.374 1.040 0 40 DDAB O=C(NCc1nc(=O)o[nH]1)c1ccc(N2CCCCCC2)cc1 1553126015 ANJHOBGFDAEZIV-UHFFFAOYSA-N 316.361 1.673 0 40 DDAB CCOC(=O)[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(C)cc1 218247877 SIPZRJFTSGPMSX-YDHLFZDLSA-N 311.403 1.014 0 40 DDAB Cc1noc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 32895093 RDCHKFVZVHUCLQ-INIZCTEOSA-N 312.329 1.662 0 40 DDAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCS(N)(=O)=O)cc1 77613161 LFIOKERLITZDSF-KGLIPLIRSA-N 310.419 1.318 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H]1Cc1cccc(F)c1)S(C)(=O)=O 79351940 UZHQDPYNXUGPJV-SMDDNHRTSA-N 313.394 1.792 0 40 DDAB N[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218039117 CDUKAWAUSBSEPE-OWCLPIDISA-N 303.383 1.316 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1c(F)cccc1F 77938686 JITTWJUGAHNOMU-BXKDBHETSA-N 312.316 1.571 0 40 DDAB O=S(=O)(c1cc(F)ccc1Cl)N1CCCn2ncnc21 78556777 STHYJYMKAOKGLM-UHFFFAOYSA-N 316.745 1.670 0 40 DDAB Cc1cc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ccn1 72366748 XEEBVPYMEOYDOC-CQSZACIVSA-N 320.418 1.692 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)c1ccc2c(c1)OCCO2 32648018 YJBMTZUFNUIETN-UHFFFAOYSA-N 301.346 1.738 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ncc(Cl)cc2F)C1 79295721 UDWKLXIQBMRJNQ-VIFPVBQESA-N 307.778 1.392 0 40 DDAB c1cnc(N2CCC[C@H](c3nccnc3-n3ccnc3)C2)nc1 72359249 YDLBADVOCPHLJV-ZDUSSCGKSA-N 307.361 1.836 0 40 DDAB O=C(O)c1ccc(C2=Nc3ccccc3S(=O)(=O)N2)cc1 72221318 RNHUENANARFYJZ-UHFFFAOYSA-N 302.311 1.755 0 40 DDAB CN(CC(=O)O)Cc1ccccc1I 79421083 DBRMVQMIODTSBY-UHFFFAOYSA-N 305.115 1.808 0 40 DDAB CC[C@@H](C)NC(=O)Cn1cc(COc2ccc(OC)cc2)nn1 227167803 SOXYIHGLYFDJOS-GFCCVEGCSA-N 318.377 1.780 0 40 DDAB CCc1nc(Cl)c(C)c(N2CCC[C@H](N3CCNC3=O)C2)n1 80786343 YBPXCHQXVIPLSG-NSHDSACASA-N 323.828 1.995 0 40 DDAB CO[C@H](C)CS(=O)(=O)NCc1cn(-c2ccccc2)nc1C 195449158 MZNKLNSAPIVVNQ-GFCCVEGCSA-N 323.418 1.635 0 40 DDAB CO[C@H]1C[C@@H](CN(C)C(=O)c2cc3cccnc3[nH]2)N(C)C1 571144073 GEANISSIMJABEI-STQMWFEESA-N 302.378 1.354 0 40 DDAB CC(C)N1CCC[C@@H](N2CC3(CCOCC3)CC[C@H]2CO)C1=O 528641176 RBOINLQFXLUUOK-JKSUJKDBSA-N 324.465 1.639 0 40 DDAB Cc1nc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)sc1C 44867888 MBYDMBOLNQHBPL-CQSZACIVSA-N 322.390 1.419 0 40 DDAB Cc1cc(C(=O)N2CC(=O)N(C3CC3)C2)c(C)n1[C@@H]1CCOC1 529219093 PTEPFPISADCWLF-CQSZACIVSA-N 317.389 1.471 0 40 DDAB Cn1cc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)cn1 96049473 BVNWNWMDESXAAI-GOSISDBHSA-N 318.465 1.745 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1 96041003 SEPVVQXDRWIZEW-XIRDDKMYSA-N 315.417 1.730 0 40 DDAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C[C@@H]1C=CCC1 237303541 YPUKFELKLCYWHB-GFCCVEGCSA-N 308.378 1.124 0 40 DDAB O=C(N1CCOCC1)N1CCN(c2ccncc2Cl)CC1 96455754 DGZNRKHFJOGMMW-UHFFFAOYSA-N 310.785 1.309 0 40 DDAB COCC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1csc(C)n1 96110751 GGDXRJWCTIWUAE-CHWSQXEVSA-N 323.418 1.190 0 40 DDAB CN(Cc1cccc(F)c1)C(=O)NCCNC(=O)c1ccn[nH]1 96500172 RQRCZBBZOYOMRW-UHFFFAOYSA-N 319.340 1.120 0 40 DDAB COCC(=O)N1CC[C@H](Cc2cccc(-c3cc(C)n[nH]3)n2)C1 257258668 KVAXJGCLNHHDRD-CYBMUJFWSA-N 314.389 1.818 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)Cc2sc(C)nc2C)[C@H]1O 257286499 PLVAPEQAYGSPLE-LALPHHSUSA-N 312.435 1.737 0 40 DDAB Cn1cncc1-c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 257260422 LCTKIJYTRPBDTP-UHFFFAOYSA-N 320.418 1.621 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257318170 VMTMVTWJHIVNNO-CYBMUJFWSA-N 304.394 1.057 0 40 DDAB Cc1ccc(C[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cn1 257326947 WZFHJJPWGQNOSY-MRXNPFEDSA-N 323.462 1.985 0 40 DDAB Cn1cc(-c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257223687 DYMXPZBGJOIGFV-NSHDSACASA-N 321.406 1.016 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1 257228332 FTKXITJQFQXGIW-HNNXBMFYSA-N 313.361 1.406 0 40 DDAB COCC(=O)NCc1ccc(-c2ccccc2C(=O)O)cn1 257227223 FOEMJAGNHDOUHM-UHFFFAOYSA-N 300.314 1.709 0 40 DDAB O=C(N[C@H]1CCC[C@H]1C(=O)O)c1csc([C@@H]2CCCO2)n1 262901323 MGRHLLUJHQXCKC-YWVKMMECSA-N 310.375 1.978 0 40 DDAB C[C@](O)(CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(F)(F)F 270933972 QNQFEUMETYDBOJ-ZDUSSCGKSA-N 316.279 1.614 0 40 DDAB CCCNC(=O)C1=NO[C@@]2(CCCN(c3cnccn3)C2)C1 585101186 MCNNXJVHLYDQPE-HNNXBMFYSA-N 303.366 1.118 0 40 DDAB Cc1ccc(-c2nc(C(=O)N3CC[C@H](C(N)=O)C3)cs2)o1 53894656 DZDXZTQRSZQYLL-VIFPVBQESA-N 305.359 1.659 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 58024897 SHIRPMAUWUTSLO-CQSZACIVSA-N 316.401 1.973 0 40 DDAB CNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 68739827 FCYXNWNKYGFZGQ-MRVPVSSYSA-N 311.432 1.969 0 40 DDAB N[C@]12CC[C@H]1CN(C(=O)NCCc1ccc(F)c(F)c1F)C2 1553467943 FDTMVSTXTCJCEL-BONVTDFDSA-N 313.323 1.779 0 40 DDAB C[C@H](CO)[C@@H](C)NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 84640229 IAYLMDUSYPRSGU-NUPCCRGMSA-N 312.316 1.591 0 40 DDAB c1nc(C2CC2)cc(N2CCN(c3ccc4nncn4n3)CC2)n1 641352544 XLOWZIAVCFFAER-UHFFFAOYSA-N 322.376 1.118 0 40 DDAB CC1(O)CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 89646120 KIZAPBSIGGHLSP-UHFFFAOYSA-N 311.281 1.341 0 40 DDAB O=C(c1c(F)cccc1F)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549168383 WBBMAEGJNWWIOZ-UHFFFAOYSA-N 322.311 1.733 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N2CCCN=C2c2ccccc21 12142781 UIMOPFAHIIAUEY-UHFFFAOYSA-N 314.389 1.947 0 40 DDAB Cc1occc1-c1nn(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)o1 12154217 RVUYZLMVPPSPHS-QWRGUYRKSA-N 319.361 1.909 0 40 DDAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)NC1CC1 13266783 ZZPLNQCBQFOJHH-UHFFFAOYSA-N 312.329 1.118 0 40 DDAB COCCNC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(C)c1 16386326 IFOVLPHMCVKJRO-CYBMUJFWSA-N 307.394 1.016 0 40 DDAB Cc1cccc(C)c1N1C(=O)C[C@@H](SC[C@H](N)C(=O)O)C1=O 16899683 DHDHSPBGJVJFAN-WDEREUQCSA-N 322.386 1.080 0 40 DDAB CC(C)CC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 19446279 DLIROEHGSGYBCX-UHFFFAOYSA-N 302.422 1.874 0 40 DDAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]3C[C@@H]32)ccc1F 521394170 MCTLQGOKXLTPLZ-HZMBPMFUSA-N 312.366 1.957 0 40 DDAB COC1CCN(C2CN(C(=O)[C@@H](C)Oc3ccccc3)C2)CC1 575610334 JTBUKRRBUYEFIJ-CQSZACIVSA-N 318.417 1.776 0 40 DDAB CN([C@@H]1CCN(c2nc3cnccc3s2)C1)S(C)(=O)=O 1888853535 VSLHQXKITZVFIL-SECBINFHSA-N 312.420 1.161 0 40 DDAB CC(C)c1nsc(N2CCO[C@H](C(=O)N3CCCC3)C2)n1 1889101443 ZEGRTUVHTPNHFV-NSHDSACASA-N 310.423 1.489 0 40 DDAB Cc1ncc2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n12 1848355596 MNGZQMBDRILLJX-UHFFFAOYSA-N 323.422 1.024 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccco2)C1 33028084 HWEVZHYJPZZTQF-LBPRGKRZSA-N 322.361 1.201 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(S(C)(=O)=O)cc2)no1 40467378 RGEDNEZUKMEUBO-SNVBAGLBSA-N 324.358 1.793 0 40 DDAB CCN1CCn2nnc(CNC(=O)[C@H]3CC[C@H](C)CC3)c2C1=O 1565556497 KNUYXLNYVTWOGI-HAQNSBGRSA-N 319.409 1.196 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC2CC2)cc1N1CCCC1=O 10220993 FSGVVTWERTZOTB-UHFFFAOYSA-N 301.346 1.339 0 40 DDAB Cc1cc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)no1 2055713188 BJYMCSNOVASAKJ-UHFFFAOYSA-N 317.393 1.259 0 40 DDAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)c3cccc(=O)n3C)C1)CO2 2055793338 QNMPVAIXQITDNL-LJQANCHMSA-N 324.380 1.870 0 40 DDAB COCc1cnc2n1CCN(C(=O)CCc1ccc[nH]1)[C@@H]2C 2055730026 STCRZSJUCJCYKF-GFCCVEGCSA-N 302.378 1.894 0 40 DDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC2)C1 2055751021 ZDCMPQJOKOOPEV-INIZCTEOSA-N 305.353 1.365 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)CCc1ccccc1)OC 575612799 OBWFDZPYWFJIOK-CQSZACIVSA-N 301.408 1.200 0 40 DDAB Cc1ccc(C2=NN(C(N)=S)[C@@](O)(C(F)(F)F)C2)cc1 192784 GCAIZWWIHDNAQG-NSHDSACASA-N 303.309 1.899 0 40 DDAB O=C(/C=C/c1ccccc1)N1CCN(C[C@@H](O)C2CC2)CC1 85436644 QADCBFFDWMEPNP-RCMYXZNBSA-N 300.402 1.615 0 40 DDAB O=C(CN1CCCC1=O)N1CCN(c2cccc(Cl)c2)CC1 13447 HZWKRHQTTJJKDX-UHFFFAOYSA-N 321.808 1.611 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cccnc1N1CCCC1 40486241 MNNGVMYXDRIQRD-UHFFFAOYSA-N 312.377 1.150 0 40 DDAB COc1ccc(C2=CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1 40542396 JQNLOCZSDLXNDU-UHFFFAOYSA-N 311.341 1.708 0 40 DDAB O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 467368 PMDZJAXLDDLOSC-UHFFFAOYSA-N 320.345 1.352 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 1576134 XMVYSQUPGXSTJR-WCQYABFASA-N 320.345 1.377 0 40 DDAB Cn1c(=S)c2[nH]c(SC[C@H]3CCCO3)nc2n(C)c1=O 1638340 SXLIZCRHKYNSMR-SSDOTTSWSA-N 312.420 1.601 0 40 DDAB CCOC(=O)c1cnn(CCN2C[C@H](C)OC(C)(C)C2)c1N 69770755 NZRVHPPAELHINV-NSHDSACASA-N 310.398 1.141 0 40 DDAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=C1SCC(=O)N12 101408011 AAWWSYXOHZXCPU-GZBFAFLISA-N 302.355 1.987 0 40 DDAB COP(=O)(OC)OC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2516827 SXAHQDUCEZPJRG-ZETCQYMHSA-N 313.243 1.382 0 40 DDAB Cc1nnnn1-c1ccc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101715617 BCUHMPMPKYUUFN-QEJZJMRPSA-N 309.373 1.913 0 40 DDAB 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DDAB CC(C)CNC(=O)CNC(=O)N[C@H](c1nccs1)C1CC1 96439628 JWHXCCKIPHKMOE-LBPRGKRZSA-N 310.423 1.666 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2cccn2C)[C@H]1Cc1ccncc1 96200991 HWUQVANHGSHZPP-WBVHZDCISA-N 312.417 1.808 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(F)c(C)c1 96454863 KWWOFQGQGZUXKJ-GFCCVEGCSA-N 314.382 1.288 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)CC[C@@H]1O 257205502 AZJOUSRHLSUXPZ-GJZGRUSLSA-N 324.808 1.371 0 40 DDAB CC(C)(C(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1)n1cncn1 257309743 UCFQKGFMIBMRNA-LBPRGKRZSA-N 302.382 1.218 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 257227950 FRRWXEKESNLXTI-CQSZACIVSA-N 316.323 1.844 0 40 DDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C[C@@H]21 257272561 NCWMCASINRVTNI-HOTGVXAUSA-N 314.385 1.247 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)no1 257201125 AGKHLRORYUQADM-CQSZACIVSA-N 315.377 1.812 0 40 DDAB O=C(Cc1cccnc1)NCc1cnc([C@H]2CCCCO2)nc1 257261980 LJNJUKJYNIWYTO-OAHLLOKOSA-N 312.373 1.972 0 40 DDAB Nc1cc(CC[C@@H]2CN(Cc3cscn3)CCO2)ccn1 257343305 ZSILTOCPQICPOK-CQSZACIVSA-N 304.419 1.954 0 40 DDAB O=C(CCF)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575404260 RFMIMGPAHAQZEE-CYBMUJFWSA-N 317.426 1.876 0 40 DDAB CCn1cncc(NS(=O)(=O)c2ccc(C)cc2C)c1=O 585141141 QKKHRELHKDIYSM-UHFFFAOYSA-N 307.375 1.681 0 40 DDAB O=C(O)[C@H](F)[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 1548600120 VCQVQWLTDJWSQP-IAQYHMDHSA-N 323.320 1.272 0 40 DDAB C[C@@H]1CO[C@H](c2ccccc2)CN1CC(=O)NC[C@@H]1CCCO1 67228554 SGPBGJMMVMULMA-PVAVHDDUSA-N 318.417 1.744 0 40 DDAB CCOC(=O)[C@@H]1CCCCN1CC1CCS(=O)(=O)CC1 89983539 LZAVRPUPQIIPBP-ZDUSSCGKSA-N 303.424 1.229 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 5577636 XTVYWQYFLZVDAA-RNJOBUHISA-N 317.297 1.066 0 40 DDAB CCN1C(=O)[C@](O)(CC(C)=O)c2cc(Br)ccc21 13568771 CNLRJVJNEUDQOQ-ZDUSSCGKSA-N 312.163 1.982 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2CN(C(=O)C(C)C)C2)n1 19749009 ZPRARQQYNHNNTN-LBPRGKRZSA-N 320.437 1.367 0 40 DDAB CC[C@@H](C)Oc1ccc(C(=O)NCc2cc(O)nc(O)n2)cc1 521396332 MVQOAKNKLQREGV-SNVBAGLBSA-N 317.345 1.995 0 40 DDAB CC(=O)N1CCCCc2ccccc2OC[C@H](C)NC(=O)C1 643583486 DKNCOSMAHGAKEY-ZDUSSCGKSA-N 304.390 1.755 0 40 DDAB Cc1nccc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889095566 ZPMCJCJLCPBAQP-CYBMUJFWSA-N 306.435 1.577 0 40 DDAB COc1nccnc1N(C)CC1CCN(C(=O)C2CC2)CC1 1776009855 URVJLHIONSBGLE-UHFFFAOYSA-N 304.394 1.570 0 40 DDAB O=C(CC1(O)CCC1)N1CCc2ncnc(NC3CC3)c2CC1 2056214979 IFFKJPWQNTVAAX-UHFFFAOYSA-N 316.405 1.283 0 40 DDAB Cc1nnc(CN2CCN(Cc3ccncc3F)[C@H](C)C2)o1 2086903792 RLARPHYWTKVFSJ-LLVKDONJSA-N 305.357 1.618 0 40 DDAB CCCCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O 2952112 UOJRQSNPFYJOEG-UHFFFAOYSA-N 303.362 1.386 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)NCc1cccs1 10256246 NMOFRSJJKNYILM-CYBMUJFWSA-N 301.371 1.874 0 40 DDAB CCCCN(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 40020087 INUAPNBIMQVBEL-UHFFFAOYSA-N 319.448 1.730 0 40 DDAB CN(C)S(=O)(=O)c1ccc(Cn2cnc3ccccc32)o1 40538822 WFSWKWUWVQBAET-UHFFFAOYSA-N 305.359 1.928 0 40 DDAB C[C@@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C)CO1 40501485 QOGLPJMUQBZJKT-GHMZBOCLSA-N 307.781 1.957 0 40 DDAB CCc1ccc(OCCc2nnc(NC(=O)CN)s2)cc1 31959246 NKKMWLHWQUOHTA-UHFFFAOYSA-N 306.391 1.619 0 40 DDAB COc1nc(C)nc(NC(=O)c2c[nH]c3ccccc3c2=O)n1 43509 IMSPTNDSEJKNRX-UHFFFAOYSA-N 311.301 1.282 0 40 DDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O)cc1 65508 AGVQWRRBKQXJSG-CYBMUJFWSA-N 300.318 1.836 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 262463 PWWYAESYBFUPEP-JSGCOSHPSA-N 316.467 1.743 0 40 DDAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NC(C)(C)C 16795467 ZGZLPMHGMMGOMJ-VIFPVBQESA-N 307.350 1.637 0 40 DDAB O=C(CON1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)OC1CCCC1 389890 LWOHTTZGTQFKQB-IOQCUFBNSA-N 305.330 1.211 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1F 8252592 ODDHFNHEDROIGY-UHFFFAOYSA-N 322.336 1.015 0 40 DDAB O=C1NC(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]12 101264413 LQFAKSSYIXZCSM-YNEHKIRRSA-N 300.339 1.882 0 40 DDAB Cc1noc(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 21058471 UETRBKPDBMQECY-TXEJJXNPSA-N 323.437 1.838 0 40 DDAB Cc1ccc([C@@]2(C)NC(=S)N(NC(N)=S)C2=S)cc1 6487768 OLLKVWNYRQLLGO-GFCCVEGCSA-N 310.473 1.476 0 40 DDAB CCOC(=O)N[C@H]1CCCN(c2ncnc3c2cnn3C)C1 52325398 XHWWNFHBBQKKCV-JTQLQIEISA-N 304.354 1.078 0 40 DDAB CCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6954059 GOENQBYEPUKBKC-UHFFFAOYSA-N 314.407 1.278 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N(C)CCCOc1ccccc1 29852909 WITGWLBBLDHOBW-ZDUSSCGKSA-N 307.394 1.622 0 40 DDAB CCOC(=O)N[C@@H](C(=O)N1CCC2(CC1)OCCO2)C(C)C 32914468 XBBLAJKEBOFCFD-GFCCVEGCSA-N 314.382 1.123 0 40 DDAB C[C@@H](NC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCCO1 41375757 HOGVVPVCTIEOCO-YPMHNXCESA-N 322.361 1.661 0 40 DDAB O=C(O)c1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1O 9295452 CRPRWAYXVSUXKY-UHFFFAOYSA-N 318.310 1.651 0 40 DDAB CC(=O)N1CCC(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)CC1 46882210 PDUKHBXFDONMEP-ZIAGYGMSSA-N 309.454 1.339 0 40 DDAB O=C(O)[C@@H]1CCCN1C(=O)COc1ccc(F)cc1Cl 37410438 IQLRCINIUSXVDM-JTQLQIEISA-N 301.701 1.934 0 40 DDAB Cc1noc(C(C)C)c1C(=O)NCC(C)(C)N1CCOCC1 22618274 ZMEUDNIOODAQHL-UHFFFAOYSA-N 309.410 1.947 0 40 DDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 23765358 NTZARRVOBAELNS-SECBINFHSA-N 323.299 1.034 0 40 DDAB COc1cccc2c1N(CC(=O)N1CCO[C@@H](C)C1)CCC2 26339252 VFKJLQAIHWSVIY-ZDUSSCGKSA-N 304.390 1.695 0 40 DDAB O=C(CCc1ccco1)NCc1ccnc(N2CCOCC2)c1 25291165 XAVCLFMABGDQJZ-UHFFFAOYSA-N 315.373 1.760 0 40 DDAB NC(=O)[C@@H](NS(=O)(=O)CCc1ccccc1)c1ccccc1 56003579 MVEDXNXTRNHIJR-HNNXBMFYSA-N 318.398 1.375 0 40 DDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)[C@@H]2C[C@@H]2C)nn1 107341641 WMCQMTWYSFDYFI-YGNMPJRFSA-N 307.350 1.748 0 40 DDAB CNC(=O)NC(=O)CCSCc1cccc(C(=O)OC)c1 27187591 RLMPGRIKKCODNR-UHFFFAOYSA-N 310.375 1.552 0 40 DDAB O=C1CCCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 44709369 HEPXFCPIBMRRBZ-AWEZNQCLSA-N 306.337 1.348 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 44890116 TUZJVIUGOFKUQT-ZDUSSCGKSA-N 316.361 1.020 0 40 DDAB O=C(NCCN1CCN(c2ccccc2)CC1)C1CCOCC1 58292701 ICGFWHPAWSCJKN-UHFFFAOYSA-N 317.433 1.351 0 40 DDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NC1CCCCC1 3315408 QSDPULSOUKCTFW-OAHLLOKOSA-N 319.357 1.819 0 40 DDAB COCCN(CCCc1ccccc1)CCC(=O)NC(N)=O 58370280 LHENCUMCKWJKQY-UHFFFAOYSA-N 307.394 1.153 0 40 DDAB CN1CCO[C@H](CNC(=O)c2cc(Cl)cc3cccnc23)C1 58312327 UGZCTVVOARRUPI-CYBMUJFWSA-N 319.792 1.949 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1cc(Cl)cn1 58305103 QRIWDSASSGJUEW-CQSZACIVSA-N 304.781 1.667 0 40 DDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccc(C)o1 3407452 PPQFRCWMVXTUSW-CMDGGOBGSA-N 323.345 1.604 0 40 DDAB Nc1nccnc1C(=O)OCC(=O)N1CCCc2ccccc21 3527997 VIOFZOLYRHJZHR-UHFFFAOYSA-N 312.329 1.195 0 40 DDAB Cc1ccc(O)c(CN[C@H]2CCCN(Cc3noc(C)n3)C2)n1 69463021 LYTZYTTUOJELLG-ZDUSSCGKSA-N 317.393 1.541 0 40 DDAB O=C(NC1CC1)c1ccc(CN[C@H]2CCc3ncnn3C2)cc1 69490061 FUMTYNUODBTSKL-HNNXBMFYSA-N 311.389 1.275 0 40 DDAB CCOc1ccc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 48927752 QRCFATLNQWFDMG-QMMMGPOBSA-N 318.782 1.051 0 40 DDAB CCCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4045213 IDRIKTYNVGJLJT-XJKSGUPXSA-N 316.357 1.763 0 40 DDAB biogenic O=c1[nH]c(CN2CCC[C@@H]2Cn2cccn2)nc2ccccc12 69626996 GOQSCUGENCQMQI-CYBMUJFWSA-N 309.373 1.784 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)c2ccc3cc[nH]c3c2)CC1 69808922 CLXPBPUQIMALMA-CQSZACIVSA-N 314.433 1.924 0 40 DDAB CC[C@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CCN1CCOC 69972570 BPUNOXKRXDWLAQ-KBPBESRZSA-N 324.425 1.353 0 40 DDAB N[C@H](CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)O 39957147 DREJVQVAEDFVEY-CQSZACIVSA-N 306.362 1.837 0 40 DDAB Cc1nc(CC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cs1 65466066 DTFVUZLBRPVPNE-LLVKDONJSA-N 319.434 1.840 0 40 DDAB COCc1ccccc1CNC(=O)N1CCC(CC(N)=O)CC1 65475443 FDGPECBVNMZTGI-UHFFFAOYSA-N 319.405 1.630 0 40 DDAB Cc1ccc(CC(=O)NCc2ccc(-n3ccnc3)nc2)cn1 65575392 XCOSNGFVOGVKHZ-UHFFFAOYSA-N 307.357 1.830 0 40 DDAB NC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(F)c1 8772225 MTTLQPNRTUBOHZ-UHFFFAOYSA-N 316.288 1.720 0 40 DDAB NC(=O)C1CCN(C(=O)CCc2nc3ccccc3s2)CC1 7016073 LOKXLCQFTFNSFE-UHFFFAOYSA-N 317.414 1.953 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cnc(-c2ccccc2)nc1 67709456 WIPRXSHUJVEBAW-AWEZNQCLSA-N 310.357 1.542 0 40 DDAB CNC(=O)C1(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)CC1 81194129 SGDOLKXFFSYRFD-QWHCGFSZSA-N 301.390 1.296 0 40 DDAB CCn1nc(C)cc1C(=O)NCCc1nc(C(=O)O)cs1 90940629 YGACZNBXEHXYED-UHFFFAOYSA-N 308.363 1.339 0 40 DDAB NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 9113490 VAEIWXJIQJOSGG-UHFFFAOYSA-N 301.371 1.704 0 40 DDAB CCOC(=O)Nc1ccc2c(CNC[C@@H](C)O)cc(=O)oc2c1 8038967 LKTFXEMTMMCIDF-SNVBAGLBSA-N 320.345 1.832 0 40 DDAB C[C@@H]1Oc2ccc(NC(=O)CN3CCSC3=O)cc2NC1=O 8016560 HRNVKHLTVDGIBY-QMMMGPOBSA-N 321.358 1.513 0 40 DDAB CC(C)CNC(=O)CNS(=O)(=O)Cc1cccc(F)c1 68906263 ABCAHZAIVMNOSE-UHFFFAOYSA-N 302.371 1.017 0 40 DDAB CN(C)c1ccc(NC(=O)CSc2nnnn2C2CC2)cc1 9322920 VKKODVGYECUYNM-UHFFFAOYSA-N 318.406 1.805 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 9318969 KBDKMDAOYHLJCB-GFCCVEGCSA-N 319.386 1.336 0 40 DDAB NC(=O)CN1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 71829329 RDKVNXBOGOVJMD-MRXNPFEDSA-N 315.417 1.126 0 40 DDAB CCOC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)nc1 71857894 KYVAIDCFFQJEAO-JSGCOSHPSA-N 317.389 1.563 0 40 DDAB COCC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 71886510 DILILZOKKRZQBW-UHFFFAOYSA-N 313.419 1.520 0 40 DDAB CCN1CCO[C@H](CNCc2cc(OC)c3c(c2)OCO3)C1 71880811 YGNHOHQTKMRCHP-CYBMUJFWSA-N 308.378 1.234 0 40 DDAB O=C1CCN(C(=O)CCCc2nc3ccccc3o2)CCN1 71839516 UPRQRHLTHITDOO-UHFFFAOYSA-N 301.346 1.499 0 40 DDAB Cc1noc(CCCC(=O)N2CCC[C@H]2Cn2cccn2)n1 71866507 UQPREDSNZFRPTF-ZDUSSCGKSA-N 303.366 1.588 0 40 DDAB Cc1nc2n(n1)C[C@@H](Nc1ncccc1C(=O)OC(C)C)CC2 96503058 OHCLAQHGLJMDSF-LBPRGKRZSA-N 315.377 1.974 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2occc21 83984846 IMZYFDATMFZCFP-VXGBXAGGSA-N 312.391 1.197 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCc2ccccc2[C@@H]1CO 97097684 GKUPDXBJBPBAMH-KRWDZBQOSA-N 313.401 1.698 0 40 DDAB COC1(CNC(=O)NCc2cn(C)nc2C(F)(F)F)CCC1 97055240 OEDYTTPXCRAFEX-UHFFFAOYSA-N 320.315 1.807 0 40 DDAB C[C@H](Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccn1 97038929 BYWPPIYCYNIKTO-ZDUSSCGKSA-N 315.377 1.310 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(CCc3ccncc3)C2)no1 76047302 AYZUGIQJVZMNRX-OAHLLOKOSA-N 301.394 1.522 0 40 DDAB CNC(=O)c1cccnc1N1CCN(c2ccc(O)cc2)CC1 72301775 ITQHNXBWEXZGQR-UHFFFAOYSA-N 312.373 1.473 0 40 DDAB CCCCN(C)C(=O)COC(=O)[C@H]1COc2ccccc2O1 72330864 PJQCTRNSNSXVDT-CQSZACIVSA-N 307.346 1.628 0 40 DDAB COCCN(Cc1ccco1)S(=O)(=O)Cc1cc(C)no1 72301856 FIAMMDUVHYFYLM-UHFFFAOYSA-N 314.363 1.554 0 40 DDAB CN1CCC(CNC[C@]2(O)CCCNC2)(c2ccccc2)CC1 72430399 XEYQCMUZUMKXFV-IBGZPJMESA-N 317.477 1.354 0 40 DDAB O=C(Cc1ccccc1O)N[C@H]1CCN(C(=O)C2CCCC2)C1 84502381 MRJUDZRXCJHLFJ-HNNXBMFYSA-N 316.401 1.842 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(Cc2ccc(OC)cn2)CC1 95462341 UVMYRJMGEVONBK-AWEZNQCLSA-N 320.437 1.123 0 40 DDAB O=C(NCc1csc(C2CC2)n1)N[C@@H]1CC(=O)N(C2CC2)C1 78964822 IVTJALDBLJPHNZ-SNVBAGLBSA-N 320.418 1.583 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1cc2cc(F)ccc2s1 88374684 KCCGQWBQDYKTHF-JTQLQIEISA-N 309.318 1.966 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 79295765 GPZIYTXYCVUDFQ-VIFPVBQESA-N 321.805 1.640 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@H](C)C(=O)O)C1CC1 95991919 HIIRNFZLSNIQAO-VHSXEESVSA-N 307.394 1.852 0 40 DDAB NC(=O)[C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccccc1 86152767 WTBJXAYPWKRDBV-INIZCTEOSA-N 307.357 1.965 0 40 DDAB C[C@H](NC(=O)c1ccnc(F)c1)C1(N2CCOCC2)CCCC1 75092648 DQDRBFUNGKWFLF-ZDUSSCGKSA-N 321.396 1.984 0 40 DDAB Cc1cc(NC(=O)NCc2cc3c([nH]c2=O)CCC3)n(C)n1 89593904 CKZSKFLPCVHWBT-UHFFFAOYSA-N 301.350 1.227 0 40 DDAB Cn1cnnc1CCNC(=O)/C=C/c1nc2ccccc2s1 75137445 GTSRAYGCORTXFM-VOTSOKGWSA-N 313.386 1.797 0 40 DDAB CO[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1cnn(C)c1 306145129 ZZCFCOHTFGTLGC-LSDHHAIUSA-N 319.430 1.883 0 40 DDAB Cc1nn(C)cc1-c1cc(C(F)F)n2nc(CC(=O)O)nc2n1 35655503 SQMQJZROSPWBLT-UHFFFAOYSA-N 322.275 1.398 0 40 DDAB COc1cc(CN2CCO[C@H](C)[C@H]2c2nc(C)no2)sn1 521396495 JFCLIKVPZRQKQL-PELKAZGASA-N 310.379 1.805 0 40 DDAB NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392835 RMHIZQHCPPOEIR-ZIAGYGMSSA-N 305.378 1.299 0 40 DDAB O=C(O)COc1ccc(/C=C2/NC(=S)NC2=O)cc1Cl 408856919 MHMFTJFXVFXJOB-XBXARRHUSA-N 312.734 1.149 0 40 DDAB COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@]1(C)C(=O)O 530207820 RLAAEQVGBWUVBW-PXAZEXFGSA-N 320.389 1.812 0 40 DDAB CC[C@@H](C)OCC(=O)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 530518105 KQPGURLBYOQSRW-KWCYVHTRSA-N 310.398 1.185 0 40 DDAB CNC(=O)O[C@@H](COC)CN1CCN(c2ccccc2C)CC1 73417873 FQAYLEMUHCIKDA-OAHLLOKOSA-N 321.421 1.488 0 40 DDAB Cc1cncc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)n1 72386281 RTFJDHJISDAQGS-UHFFFAOYSA-N 307.379 1.076 0 40 DDAB CCn1ccc(NC(=O)c2cc(C)nc(N3CCCC3)n2)n1 72239863 WGNUCVYGBKLQJY-UHFFFAOYSA-N 300.366 1.854 0 40 DDAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccoc2)CC1 30810232 QGJZECKYUUTFKY-UHFFFAOYSA-N 304.268 1.810 0 40 DDAB CC[C@@H]1CCCCN1C(=O)CN1CCC(n2cnnc2O)CC1 559691276 CJOYDPIGBMOLNM-CYBMUJFWSA-N 321.425 1.412 0 40 DDAB Cc1cc(C(=O)N2CCC(O)CC2)nc(C2CCN(C)CC2)n1 72365907 KMHBQUWMNCAXDN-UHFFFAOYSA-N 318.421 1.191 0 40 DDAB COC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O 218416699 SHOQIVRAYXHNLG-MBNYWOFBSA-N 313.444 1.424 0 40 DDAB O=C(Cn1cc(Cl)cn1)N1CCC[C@@H](c2cnccn2)C1 72384895 JWDLTFUXYNHGSI-LLVKDONJSA-N 305.769 1.733 0 40 DDAB Cc1c(C(=O)N2CCO[C@@](C)(C(N)=O)C2)oc2ccccc12 72379667 INBOWUWCUZZCLA-MRXNPFEDSA-N 302.330 1.458 0 40 DDAB COc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)cc1OC 72324761 ZZNORGIHCLYKFO-NWANDNLSSA-N 306.406 1.343 0 40 DDAB Cc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)c1 71980074 OWAXRQCXBVAQKE-CQSZACIVSA-N 318.373 1.343 0 40 DDAB OCCN1CCC(c2nccnc2Oc2cccnc2)CC1 72361623 LXECDZCMNVZGRS-UHFFFAOYSA-N 300.362 1.836 0 40 DDAB CCN1CCN(c2ncc3c(n2)CN(c2ccccc2)C3=O)CC1 46088852 UFOYORNBAZKYSH-UHFFFAOYSA-N 323.400 1.779 0 40 DDAB C[C@H]1CN(C(=O)Cn2ccc(=O)c3sccc32)C[C@@H](C)O1 84705878 PZQDWRSEJBKJJK-PHIMTYICSA-N 306.387 1.699 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc(-c3cnco3)cc1)CC2 97198950 JANFRPRKJDHELL-AWEZNQCLSA-N 323.356 1.986 0 40 DDAB Cc1cccc(CN2CCc3nnc(CN(C)C)n3CC2)n1 96259864 CXDUUMMPDGFDKZ-UHFFFAOYSA-N 300.410 1.101 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCCn1cccc1)CC2 97100775 HKIUWFIFZBNCAF-HUUCEWRRSA-N 321.421 1.450 0 40 DDAB O=C(N1CCCC1)N1CC2(CCN(Cc3cccnc3)C2)C1 96070823 IXFPUQSAYWAMRK-UHFFFAOYSA-N 300.406 1.805 0 40 DDAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)C)n1 95479591 LBDMIKUURQXBJR-UHFFFAOYSA-N 301.346 1.444 0 40 DDAB COCCN1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 96107979 RZIWOBNTOHIAOJ-DOTOQJQBSA-N 308.397 1.605 0 40 DDAB COc1c(CN2CCC[C@H](C3(C)OCCO3)C2)c(C)nn1C 97373164 DSBMYIOINGWOGZ-ZDUSSCGKSA-N 309.410 1.712 0 40 DDAB CCCCN1C(=O)N[C@](Nc2ncccn2)(C(F)(F)F)C1=O 96231768 AQQWHLFTCNUXIW-NSHDSACASA-N 317.271 1.499 0 40 DDAB COC(=O)c1ccc2nn(Cc3ncoc3C(C)C)c(=O)n2c1 96490197 PUVPPFZOTMKOLM-UHFFFAOYSA-N 316.317 1.442 0 40 DDAB CN(C)CCN1C(=O)CCC12CCN(Cc1ccoc1)CC2 96228039 CXIWAVXWQIYOLP-UHFFFAOYSA-N 305.422 1.798 0 40 DDAB CCN(C)C[C@H]1CCN(S(=O)(=O)c2cccc3nonc23)C1 96476655 UNGRWRTXEZRWMQ-LLVKDONJSA-N 324.406 1.185 0 40 DDAB Cc1noc(C)c1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96122107 JFSGTKPSJTZJCW-UHFFFAOYSA-N 324.358 1.324 0 40 DDAB CC[C@H](c1ccccc1)N1CCN(C(=O)CNC(=O)NC)CC1 96485555 PTHOJGJVMZANLZ-OAHLLOKOSA-N 318.421 1.211 0 40 DDAB Cc1ncc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 257337770 YUHBSZATAHKWCF-IRXDYDNUSA-N 324.384 1.401 0 40 DDAB Cc1nc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)co1 257319078 VQPHVXJOZJNPGB-MRXNPFEDSA-N 316.361 1.139 0 40 DDAB Cn1ccc(CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)n1 257226381 FKKUTOFHETYBHA-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2ccnn2C)n1 257334461 YFZFIDJNXQZZKB-MRXNPFEDSA-N 314.437 1.917 0 40 DDAB CN(C)c1cccc([C@H]2CN(Cc3ccnn3C)CCO2)n1 257339019 YZWKUFRAYFCRSG-OAHLLOKOSA-N 301.394 1.455 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc3oc(C)cc3c2)CCO1 257321584 WCGIHRNNKKACHB-KRWDZBQOSA-N 316.357 1.718 0 40 DDAB Cc1ncccc1O[C@H]1CCN(Cc2ccn(C)n2)CC[C@@H]1O 257326747 WYLNRJFXTJNXRP-RDJZCZTQSA-N 316.405 1.528 0 40 DDAB CN(C)c1cccc([C@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257223156 DWDNQBOIOHFEAP-OAHLLOKOSA-N 318.421 1.143 0 40 DDAB O=C(Cn1cncn1)N1CCC(Oc2ccncc2Cl)CC1 390826138 CQMNPVKNFOHPRY-UHFFFAOYSA-N 321.768 1.397 0 40 DDAB CN(C)CCC(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575403169 DYAZXVVCWIWQRZ-CQSZACIVSA-N 319.405 1.172 0 40 DDAB O=C(CCF)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 575404209 QSHPMFLDRBOHSS-ZDUSSCGKSA-N 308.353 1.828 0 40 DDAB COCCN1CCC[C@]2(C1)CN(Cc1c(C)noc1C)C2=O 585099650 UTTWJUPPDYNISW-INIZCTEOSA-N 307.394 1.362 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC3)cn2)CCO1 45877538 KWXUFIVIFGIXIZ-CYBMUJFWSA-N 304.394 1.612 0 40 DDAB c1csc(N2CCCN(c3ncnc4[nH]cnc34)CC2)n1 58158578 NOTJMDNKLSMXCF-UHFFFAOYSA-N 301.379 1.526 0 40 DDAB Cc1ccccc1[C@@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)C1 69348940 FJFHJWGDYMFZFB-CQSZACIVSA-N 313.401 1.382 0 40 DDAB CCn1cc(NC(=O)c2ccccc2N2CCOCC2)cn1 69567217 KCTQPLKEERJYOC-UHFFFAOYSA-N 300.362 1.992 0 40 DDAB CCOC(=O)C(C(=O)OCC)=C(C)CO[C@@H]1CCCCO1 96031794 LESSPILOSKJBKI-GFCCVEGCSA-N 300.351 1.972 0 40 DDAB in-vitro C[C@H](Oc1ccccc1)C(=O)N1CCC(S(C)(=O)=O)CC1 96098180 LEEHMTKQZONLJR-LBPRGKRZSA-N 311.403 1.490 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)NC[C@H](O)C3CC3)c(C)n2n1 84129357 YNQQMFAXMUWFBY-HNNXBMFYSA-N 316.405 1.474 0 40 DDAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)NC1CC1 12184430 ZMNCGCFOCGHBRR-UHFFFAOYSA-N 323.356 1.200 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3)cc2[nH]c1=O 13582069 CKCICUDDIJJRJW-UHFFFAOYSA-N 317.326 1.017 0 40 DDAB Cc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1 19656438 XFKFRAKEFMSQDI-UHFFFAOYSA-N 302.382 1.217 0 40 DDAB CCc1ccc(S(=O)(=O)NCc2nnc(C(C)C)n2C)cc1 155119392 RMZNZJVLPNILNE-UHFFFAOYSA-N 322.434 1.979 0 40 DDAB NC(=O)CN1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 607853302 QRGORUHFAXNWNF-LLVKDONJSA-N 318.406 1.689 0 40 DDAB CCCN1C(=O)NC2(CCN(C(=O)C3CCCCC3)CC2)C1=O 17271787 MELADTDCOYTYPJ-UHFFFAOYSA-N 321.421 1.890 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccnc3)[C@H]2C1 253492529 QDPLVDRSABCOAF-AEGPPILISA-N 310.419 1.351 0 40 DDAB CC(C)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22783054 OFNDXHSVVRGXEL-MRXNPFEDSA-N 307.413 1.886 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 6778342 XZQPYCYGHNQRTE-BBFKJOKFSA-N 307.390 1.338 0 40 DDAB in-vitro O=C([C@H]1CCCO1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888843349 RLUABDMPDVCDNG-GFCCVEGCSA-N 311.769 1.679 0 40 DDAB O=C([C@@H]1CN(Cc2ccc(F)cc2)CCO1)N1CCSCC1 1888843897 WBNLJPPISNBCQV-HNNXBMFYSA-N 324.421 1.602 0 40 DDAB Cc1ncnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c1C 881786206 PSSQKYBFEASDKM-AWEZNQCLSA-N 304.394 1.169 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40543589 LMKIBPIDCOKMGK-GHMZBOCLSA-N 312.801 1.498 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 76949943 IVLXLGKYSHSXEF-NSHDSACASA-N 304.362 1.478 0 40 DDAB CCOCCC(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223568 SOZDDIWBWVNKJJ-HOTGVXAUSA-N 310.438 1.515 0 40 DDAB Cc1cccc(-n2ccn(CC3CCOCC3)c(=O)c2=O)c1 2086928082 SZSHQAPIJFVITH-UHFFFAOYSA-N 300.358 1.734 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3ccccc3)C2)C1 1565547873 PILDWUJCNIQAAS-UHFFFAOYSA-N 301.390 1.953 0 40 DDAB CCc1ccc(C(=O)N2CCc3ncnc(OC)c3CC2)cn1 1565542257 HHBFAMFVHJJBPD-UHFFFAOYSA-N 312.373 1.684 0 40 DDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1 424201 WSDLDRTZJROHMQ-UHFFFAOYSA-N 309.325 1.719 0 40 DDAB CCCc1cc(=O)[nH]c2nnc(S[C@H](CC)C(=O)OCC)n12 4250274 NCPXIBMYHRWWCD-SNVBAGLBSA-N 324.406 1.804 0 40 DDAB Cc1cc(N2CCN(c3ncnc(C)c3C)CC2)n2nccc2n1 1775974275 VYGHPSFCCXBOIO-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB CCOc1coc(C(=O)NCc2cccc(OC)c2)cc1=O 23136951 AUPQNCSCHIHMEJ-UHFFFAOYSA-N 303.314 1.977 0 40 DDAB Cc1cncc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086886959 JMFAMHKDJDHAKH-GFCCVEGCSA-N 310.423 1.178 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCc1ccc(-c2ccoc2)cc1 575414220 XVKFACPEHMHGBS-UHFFFAOYSA-N 312.325 1.712 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccsc1)C2 585150256 IDNAUWJMHBATJJ-LBPRGKRZSA-N 302.403 1.891 0 40 DDAB Cn1ncnc1CN1CCC(O)(c2ccc(Cl)cc2)CC1 2298032736 OOZIROKHZGPCFE-UHFFFAOYSA-N 306.797 1.952 0 40 DDAB CC(=O)N[C@H](C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30175833 NVHWCTMGZKMPHL-QMTHXVAHSA-N 319.361 1.267 0 40 DDAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1 40488204 JPDYGAVCENAVCI-UHFFFAOYSA-N 304.799 1.349 0 40 DDAB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1ccccc1 100646820 NEQHLTQAFZUKDB-LOISDPQCSA-N 315.325 1.366 0 40 DDAB COc1ccc([C@H](O)CNC(=O)Cc2c(C)noc2C)cc1 31577113 XVBWJOUPIGFLBQ-OAHLLOKOSA-N 304.346 1.692 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CN1CCc2ccccc21 51183481 OBWMRQUVRFLKGA-TZMCWYRMSA-N 301.390 1.162 0 40 DDAB CCC[C@]1(C)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 51373549 KZFDBIAKFPREJT-LRDDRELGSA-N 306.362 1.537 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)cc(OC)c1 194806 XUIAYMGJLOTVNH-CQSZACIVSA-N 320.345 1.895 0 40 DDAB CCOC(=O)CSc1nnnn1-c1cc(OC)ccc1OC 1360966 UEBSXYXUXONPLH-UHFFFAOYSA-N 324.362 1.335 0 40 DDAB O=[N+]([O-])O[C@H](c1ccncc1)[C@H](O[N+](=O)[O-])c1ccncc1 1661107 LBDNUOVNUKBWJV-VXGBXAGGSA-N 306.234 1.676 0 40 DDAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCCC1 21004106 ZYVZEBILBOJLPM-UHFFFAOYSA-N 316.810 1.631 0 40 DDAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccccc1 101966054 CKETYMLHWZZHGX-VEESAYDSSA-N 300.310 1.610 0 40 DDAB Cc1c(O)nc(SCC(=O)Nc2ccc(F)cc2)[nH]c1=O 4861704 NJYOTVGJHWVYHH-UHFFFAOYSA-N 309.322 1.654 0 40 DDAB c1ncc(O[C@H]2C[C@H]3CN(Cc4nccs4)CCN3C2)cn1 107746727 VUFOFFZRZXYDCE-STQMWFEESA-N 317.418 1.271 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCc1nnc(S)n1C 109055619 JZBMMFGGXLBSIU-SECBINFHSA-N 324.381 1.369 0 40 DDAB O=C(c1ccncc1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1 41344683 YDOCMHJNVQEYHQ-UHFFFAOYSA-N 324.340 1.479 0 40 DDAB Cc1noc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)n1 42245583 OYOOQLWNUYYPNZ-QMMMGPOBSA-N 304.281 1.874 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 100634733 CNSGYHNQURHNQW-JTOWHCCKSA-N 313.353 1.532 0 40 DDAB O=C(COC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2 807466 CZHXKBHQSFTKDC-UHFFFAOYSA-N 300.270 1.606 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 12345732 QKTRNOUOPHQMMU-AWEZNQCLSA-N 319.336 1.312 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCn2ccnc2)n1 43311511 CLDPSNYYBGTHBF-LBPRGKRZSA-N 304.398 1.332 0 40 DDAB C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986747 OJVWXXOEBPCHRM-FJBKTCEDSA-N 307.390 1.806 0 40 DDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1 25410523 DXGCNADPORGIHM-ZDUSSCGKSA-N 315.417 1.157 0 40 DDAB COc1cc(NC(=O)CCn2cncn2)c(OC)cc1Cl 25537310 SZYFQNZDRCHMHD-UHFFFAOYSA-N 310.741 1.978 0 40 DDAB C[C@@H](Cn1cccn1)NCC(=O)N[C@@H]1CCOc2ccccc21 69740444 DXPKHUTWSJYKGD-DZGCQCFKSA-N 314.389 1.501 0 40 DDAB COCCNC(=O)NCc1cccc(OC[C@@H]2CCCO2)c1 57413252 UYPJVPVQWXXZGC-HNNXBMFYSA-N 308.378 1.690 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)C1(c2ccc(F)cc2)CC1 44724564 YCQNDKDZYMOTIZ-LLVKDONJSA-N 311.378 1.408 0 40 DDAB Cc1ccc(C)c(OCC(=O)OCC(=O)NC(=O)NC(C)C)c1 10220033 HYNJTATZPANDMB-UHFFFAOYSA-N 322.361 1.460 0 40 DDAB COc1ccc(CNC(=O)NC[C@H](O)c2ccccc2F)cn1 44955326 KOMFJIXMSZJIKZ-AWEZNQCLSA-N 319.336 1.762 0 40 DDAB C[C@H]1C[C@@H]1CNC(=O)NCc1cccnc1N1CCOCC1 44954372 MXAZHVZZGPSFJE-GXTWGEPZSA-N 304.394 1.373 0 40 DDAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@@H]1CCCO1 27865763 LOPOZQODIMXGSH-ONGXEEELSA-N 318.295 1.551 0 40 DDAB CO[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cnnn2)cc1 58378397 AZBZWDKKARFDPB-KBPBESRZSA-N 302.334 1.777 0 40 DDAB Cc1ccc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)cc1 3352316 HAOZIBCRPGREQC-HNNXBMFYSA-N 306.406 1.854 0 40 DDAB O=C(Nc1ccncc1)c1cc(-n2cnnn2)ccc1Cl 20718096 TWHKBRNEVAVQBK-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB CCOC(=O)[C@@](O)(NC(=O)c1ccc(C)cc1)C(F)(F)F 2322867 CGQQVHSURZSLOK-LBPRGKRZSA-N 305.252 1.539 0 40 DDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c1 48345246 CRLXGPSGXILKAC-UKRRQHHQSA-N 318.373 1.470 0 40 DDAB N=C(NCc1ccccc1)NCc1ccc(S(N)(=O)=O)s1 70039217 SSQMUXDHVIFBHT-UHFFFAOYSA-N 324.431 1.210 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1 12911732 IMRUBUUQQXSEBU-UHFFFAOYSA-N 302.378 1.446 0 40 DDAB CCOC(=O)[C@H]1C(O)=Nc2nc(C)nn2[C@@H]1c1ccccc1 13127037 NULKNWNNTGSSHC-VXGBXAGGSA-N 300.318 1.957 0 40 DDAB Cc1cnc(CN2CCN([C@H](C)c3nc(C)no3)CC2)cn1 69349847 DYAXEGZZZRRJKZ-GFCCVEGCSA-N 302.382 1.355 0 40 DDAB C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 63194275 BFVAMRPEMDJTHS-ZANVPECISA-N 304.362 1.855 0 40 DDAB COc1cccc(COCC(=O)N2CCC(CC(N)=O)CC2)c1 49389671 BWYAXYOJONSLLI-UHFFFAOYSA-N 320.389 1.326 0 40 DDAB CCOC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 59889507 DPNMXIDPVBGKMR-UHFFFAOYSA-N 304.346 1.622 0 40 DDAB Cc1ccc(CNc2ccc(C(=O)N3CCNC(=O)C3)cn2)cc1 69896590 GVPODYAZAVLRAI-UHFFFAOYSA-N 324.384 1.574 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N1 17050296 LAYPOJNWRADDTF-ONGXEEELSA-N 324.764 1.797 0 40 DDAB CC(=O)N(CCC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccccc1 69490538 BGZUFKYIDOJLCY-ZDUSSCGKSA-N 319.405 1.018 0 40 DDAB c1ccc(-n2cccn2)c(CNC[C@H]2CNc3ccnn3C2)c1 69464648 OCBVFIFOXLUHLT-AWEZNQCLSA-N 308.389 1.900 0 40 DDAB CCc1ccc(-c2noc(CN(CCOC)CC(N)=O)n2)cc1 65608468 OBIKVJAVBBHDFG-UHFFFAOYSA-N 318.377 1.233 0 40 DDAB CCn1cc(NC(=O)c2cccc(C[S@@](C)=O)c2)ccc1=O 65609832 ZWFXOUZBLSQKAF-QFIPXVFZSA-N 318.398 1.999 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nn1cnc2ccccc21 14240853 DOXNFHJVAVNICQ-UHFFFAOYSA-N 319.324 1.586 0 40 DDAB O=C(Cn1c(-c2cnccn2)noc1=O)c1c[nH]c2ccccc12 69519577 JAXPVIPCXUZOHQ-UHFFFAOYSA-N 321.296 1.658 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)COCC(F)(F)F)C1 69951657 NLSDHODMSSQNMS-NSHDSACASA-N 305.300 1.934 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C[C@H](O)c2ccc(F)cc2)CC1 69628100 IHASCZKAEVTZBV-IRXDYDNUSA-N 324.440 1.884 0 40 DDAB CC1(C)C[C@H](NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)C(C)(C)O1 90391312 NWHBZTGKGORKTE-AGIUHOORSA-N 318.483 1.640 0 40 DDAB CCNC(=O)N1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 68239350 XSFTTWKCSPOJIS-AWEZNQCLSA-N 305.378 1.248 0 40 DDAB CCOC(=O)c1cnc(C(=O)NCc2ccnn2C)c(Cl)c1 89984832 CKVAVFRFGKYHEU-UHFFFAOYSA-N 322.752 1.575 0 40 DDAB COCCNC(=O)[C@@H]1CS[C@@H](c2ccc(C)cc2)N1C(C)=O 9846080 NXXBVDHKUNIWFG-HOCLYGCPSA-N 322.430 1.720 0 40 DDAB CNC(=O)NCC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 97079936 OSDMJOYMLTVOTR-SECBINFHSA-N 317.311 1.682 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cccc(C(N)=O)c1 71880432 XSDCCDFYTVVQER-DLBZAZTESA-N 315.417 1.761 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 71871323 DXSCKNWKVBSXCF-CYBMUJFWSA-N 315.373 1.480 0 40 DDAB CCOc1ccc(C[C@H](CNC(=O)C(C)(C)C)C(N)=O)cc1 71826770 CZPSTXHFRQDDOM-CYBMUJFWSA-N 306.406 1.892 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)o1 71886362 MZAXQSVEFRWGJH-UHFFFAOYSA-N 323.326 1.802 0 40 DDAB C[C@@H]1CN(C(=O)CCNCc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 71837078 QDABGNOQXWCTKV-CHWSQXEVSA-N 322.453 1.823 0 40 DDAB CN(CC(=O)N1CCOCC1)Cc1nc2ccccc2s1 71867376 BBGUJPLOFSPVTI-UHFFFAOYSA-N 305.403 1.587 0 40 DDAB Cc1cc(C)nc(N2CCN(c3cc(C)nc4ncnn34)CC2)n1 97012548 WMRUIRUPMIZVHC-UHFFFAOYSA-N 324.392 1.166 0 40 DDAB Cn1c(CN2CCN(C[C@@H]3CCCO3)CC2)nc2ccccc21 71915602 LKXJZZPYSPRKDE-HNNXBMFYSA-N 314.433 1.870 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 72269211 SZZQVIIYMBVWPI-IRXDYDNUSA-N 302.418 1.975 0 40 DDAB Cc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1F 72300555 BJKHDNAUUGMUQJ-WFASDCNBSA-N 314.426 1.894 0 40 DDAB CC(=O)N1CCN(CCN[C@@H](C)[C@@H](C)c2ccccc2)CC1 95420282 CSPHCIFMPKKURB-CVEARBPZSA-N 303.450 1.932 0 40 DDAB CC(C)N1C[C@H](C(=O)NCCOc2cccc(F)c2)CC1=O 27720663 ZENXASPKDMEOST-GFCCVEGCSA-N 308.353 1.578 0 40 DDAB CN(C(=O)c1cccn1C)[C@H]1CCN(CC(F)(F)F)C1=O 79002133 QLVMXTBXRCTRKR-JTQLQIEISA-N 303.284 1.260 0 40 DDAB NC(=O)C1(CNCc2ccc(Cl)c(F)c2)CCOCC1 86250722 UZCWJEILHBEETD-UHFFFAOYSA-N 300.761 1.851 0 40 DDAB Cc1cc(C)c(CNC(=O)NCc2cnc(C)s2)c(=O)[nH]1 75123078 GQMSZEZBWKXVSB-UHFFFAOYSA-N 306.391 1.756 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC2(C(=O)O)CCCCC2)C1 89775660 JVJWPLRZVJDCAT-CYBMUJFWSA-N 324.421 1.785 0 40 DDAB Oc1c([C@@H](c2ccco2)N2CCOCC2)sc2ncnn12 22610078 NXQIRLYJSAYIKY-SNVBAGLBSA-N 306.347 1.511 0 40 DDAB COc1ccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408621132 LEKOMBZWOKFZCV-WGGGBPLMSA-N 323.348 1.889 0 40 DDAB O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)C1CC1 38583502 DJWWUSASWBIFNG-UHFFFAOYSA-N 308.447 1.980 0 40 DDAB CSC1=N/C(=C/c2cccs2)C(=O)N1CN1CCOCC1 31872373 GVSINYPEYJLMHI-FMIVXFBMSA-N 323.443 1.940 0 40 DDAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2[n+]1ccccc1 32603961 DWBILJNNAUNCQS-HNNXBMFYSA-O 312.393 1.865 0 40 DDAB O=C(NCC[C@H](O)c1ccco1)c1ccc(Cn2cccn2)o1 72243130 AFVDQGAPHSNNFU-ZDUSSCGKSA-N 315.329 1.971 0 40 DDAB CC1(CNC(=O)NCc2nc(-c3ccncc3)n[nH]2)CCC1 556847196 OCKPBTQUSGLOLH-UHFFFAOYSA-N 300.366 1.856 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218447680 HSKRTJBWZWQIEF-HZSPNIEDSA-N 317.838 1.832 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)c1cccc(-n2cccn2)n1 79590241 PQOPTIQPLGZBKH-UHFFFAOYSA-N 309.329 1.527 0 40 DDAB CCOC(=O)[C@@H]1[C@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1 218272564 BOZMDNILTMQQNS-KBPBESRZSA-N 305.330 1.174 0 40 DDAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CN(C)C)n1 72378589 PPOBSCKOUVUKNR-OAHLLOKOSA-N 313.405 1.801 0 40 DDAB Cc1c(C(=O)N2CCO[C@](C)(C(N)=O)C2)c2ccccc2n1C 72379776 UVQJQSONYKMHRR-KRWDZBQOSA-N 315.373 1.203 0 40 DDAB CC(C)[C@@H](NC(=O)N1CCSCC1)c1nnc2n1CCC2 78663638 QEUWBXDZHPPTLW-GFCCVEGCSA-N 309.439 1.680 0 40 DDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2 40386685 HKEDRYBDTZEXOW-GFCCVEGCSA-N 313.361 1.800 0 40 DDAB COCC[C@H](C)NC(=O)NC[C@](C)(O)c1ccc(F)cc1F 79349451 DLMOKNVAMXCGDS-BONVTDFDSA-N 316.348 1.897 0 40 DDAB O=C(Cc1ccc(Br)cc1)N1CC(n2ccnn2)C1 225692579 YTSLSXYSPYYLOS-UHFFFAOYSA-N 321.178 1.667 0 40 DDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCS(C)(=O)=O 44908298 KXMNHZMYGVORFL-NSHDSACASA-N 319.448 1.128 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)n3cccc(C)c3nc2=O)cc1 136836920 PPPGZGWWKIFGND-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB O=C(NCCc1c[nH]cn1)c1ccc(Nc2ncccn2)cc1 85874961 QGVARCQLXBTKDJ-UHFFFAOYSA-N 308.345 1.916 0 40 DDAB biogenic CC(C)(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O 226056271 SSZONGFAUIICRC-UHFFFAOYSA-N 304.456 1.743 0 40 DDAB CC(C)c1ccc([C@H]2C[C@@H]2NC(=O)Cn2ncn(C)c2=O)cc1 195553316 SMBYCEUMQHOEDY-CABCVRRESA-N 314.389 1.378 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)N2CCc3ccccc32)C1 331933095 IRCKFZVDIVMIIS-GFCCVEGCSA-N 323.418 1.170 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)c1ccc(C)o1)CC2 96207413 IXVVQNUMHBCLLY-GFCCVEGCSA-N 306.362 1.203 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(c4cncnc4)C(=O)[C@H]3C2)s1 96053651 GNUBXOJMTOFERQ-WFASDCNBSA-N 314.414 1.941 0 40 DDAB CCN1CCNC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 96230149 MVHPEIYGGDBNCG-UHFFFAOYSA-N 317.433 1.482 0 40 DDAB Cc1cnc(N2CCC[C@@]3(CCCN3CC(=O)N(C)C)C2)nc1 96214887 MLZAXIHRBSHTLB-QGZVFWFLSA-N 317.437 1.308 0 40 DDAB c1ccc(N2CC[C@@]3(COCCN(c4ncccn4)C3)C2)nc1 96062480 BONCDDXHEHNOQJ-QGZVFWFLSA-N 311.389 1.605 0 40 DDAB COCCn1nc(C)c(NC(=O)N2CCN(C(C)C)CC2)c1C 90153947 XDEGPKQHJVYGSA-UHFFFAOYSA-N 323.441 1.704 0 40 DDAB C[C@H]1CC[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)O1 97229689 IADKMMGMCJRUKV-SMDDNHRTSA-N 309.797 1.951 0 40 DDAB C[C@@H]1[C@@H](CC(=O)N2CCOCC2)COCCN1Cc1ccoc1 249700657 XSBCCRSCRBSOAX-ZBFHGGJFSA-N 322.405 1.365 0 40 DDAB CN(CC(=O)N1CCC[C@@H]1c1ccnc(O)n1)C1CCCC1 257335556 YKRSMKSDJBFTAN-CQSZACIVSA-N 304.394 1.720 0 40 DDAB CN1CCO[C@](Cc2ccc(F)cc2)(C(=O)NC2CCC2)C1 257309934 UCYGGYRTERGUGT-KRWDZBQOSA-N 306.381 1.738 0 40 DDAB NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257329685 XLAWIQZQMFRRJN-FHWLQOOXSA-N 318.461 1.643 0 40 DDAB c1cnc(N2CCC3(CC2)CO[C@@H](Cc2cnccn2)C3)nc1 257205410 AYWXFZURPLXDBE-HNNXBMFYSA-N 311.389 1.885 0 40 DDAB Cn1cnc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)c1 257301648 RZGNHNKGIZTQPM-HOTGVXAUSA-N 312.373 1.036 0 40 DDAB O=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cccnc1 390826931 CRUWADLKNUTNRN-ZDUSSCGKSA-N 322.390 1.648 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1Cc2cncnc2C1 96366451 DMKFRUYYQOFPEA-UHFFFAOYSA-N 305.359 1.498 0 40 DDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cc(C)no1 585094842 PJAJNBWYVHJHFW-NSHDSACASA-N 304.350 1.320 0 40 DDAB O=C(NCc1nccnc1-c1ccncc1)NC1CCOCC1 585150657 PBTZPDJBMNCPQI-UHFFFAOYSA-N 313.361 1.517 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cc(C2CC2)on1 585276656 HBFBQZCJLBVBPG-INIZCTEOSA-N 321.377 1.309 0 40 DDAB C[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccco1 58160256 SPSLHUUZZNCUFA-LLVKDONJSA-N 319.336 1.923 0 40 DDAB CCCN(CCC(=O)NC(N)=O)[C@@H]1CCc2ccccc2C1 58157720 IKYGETGAACWZFV-OAHLLOKOSA-N 303.406 1.841 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 69455728 LYTNCMCAMBFLGG-KEYYUXOJSA-N 316.401 1.912 0 40 DDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]1Cn1cncn1 69701237 IKVFZFNOJZJHRR-OLZOCXBDSA-N 318.381 1.456 0 40 DDAB O=C(c1cnn2cccnc12)N1CCCC[C@@H]1Cn1cccn1 69971309 GLLILMZPNVMWTB-CYBMUJFWSA-N 310.361 1.621 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O 81700977 ONFVVULGCKFZJD-AEFFLSMTSA-N 324.380 1.499 0 40 DDAB CCCCCS(=O)(=O)N1CCC[C@@H](CN2CCOCC2)C1 95939965 PWCXIVBKUKPODY-HNNXBMFYSA-N 318.483 1.551 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2cn(C)cn2)C1 1615144358 SDAXCJFMVLZBPC-QGZVFWFLSA-N 301.390 1.744 0 40 DDAB Nc1nc(COC(=O)c2cnccn2)nc(Nc2ccccc2)n1 5259400 TWNMRSCGKCWJDM-UHFFFAOYSA-N 323.316 1.344 0 40 DDAB C[C@@H]1C[C@H](CCC(=O)NC(=S)Nc2nncs2)C(=O)O1 16809015 MSVFANCOFWXBST-RQJHMYQMSA-N 314.392 1.083 0 40 DDAB CCOC(=O)[C@@](NCc1ccco1)(NC(C)=O)C(F)(F)F 19419487 HXHCNCUGVTVROC-LLVKDONJSA-N 308.256 1.327 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1 19746736 TVTJJSYWENLJSA-KRWDZBQOSA-N 318.421 1.782 0 40 DDAB CCN(CC)c1ncc(CN2CCO[C@@](C)(C(N)=O)C2)s1 19746902 REJXSCXEPILLCS-CQSZACIVSA-N 312.439 1.066 0 40 DDAB CN(C)CCn1ccc(C(=O)N2CCC[C@H]2c2cccn2C)n1 565172625 NZAUGORNLKYSCS-INIZCTEOSA-N 315.421 1.761 0 40 DDAB COC(=O)[C@H](Cn1cnc2ccccc21)[C@H](O)c1ccncc1 12537017 FCPHRZKTXCJTOR-CZUORRHYSA-N 311.341 1.954 0 40 DDAB Cc1cnc(C(=O)N2CCN(c3ncccn3)CC2)c(F)c1 1889122694 SOMLQHVTMBDEPS-UHFFFAOYSA-N 301.325 1.282 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 40511310 BPYHUOLQKKMIFV-UHFFFAOYSA-N 316.810 1.501 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NCc1cccs1 425480 PIOHPTDZKYWHJB-UHFFFAOYSA-N 314.370 1.560 0 40 DDAB Cn1cc(-c2ccc(CNC(=O)NCc3ccccn3)cn2)cn1 575617166 SUTIIHNJQLAFCL-UHFFFAOYSA-N 322.372 1.877 0 40 DDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1C[C@H]2C[C@H]1CO2 575616012 LPFWXXBKLDJZHA-QWHCGFSZSA-N 305.359 1.034 0 40 DDAB O=C([C@H]1CC=CCC1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 585603239 LQWDEMOLSYLMMO-HNNXBMFYSA-N 313.401 1.935 0 40 DDAB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 100186119 GZMDFKKLXHSWDH-UDVXPWBQSA-N 313.309 1.608 0 40 DDAB O=C(NCCCn1cccn1)NC[C@@H]1COc2ccccc2O1 40520708 SZOQCJNXNKUOEX-CYBMUJFWSA-N 316.361 1.412 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 40534763 LFFUUTAPEQZAPU-HUUCEWRRSA-N 322.430 1.447 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1 20572634 OVGIWHMAOSXINT-UHFFFAOYSA-N 314.389 1.819 0 40 DDAB O=C(CNC(=O)c1csc(-c2ccco2)n1)Nc1cn[nH]c1 51413811 RFBVLSMGWAOMPD-UHFFFAOYSA-N 317.330 1.495 0 40 DDAB CC(C)CCn1nnnc1[C@@H](C(C)C)N1CCC(C(N)=O)CC1 416788 ASIINKDXMUDVDD-CQSZACIVSA-N 322.457 1.614 0 40 DDAB CC(C)C[C@@H](NC(=O)c1cnn(C)c1)C(=O)Nc1nccs1 91840408 QMRZJWFNGRALFX-LLVKDONJSA-N 321.406 1.660 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)n1 557692 YLGAZPRSKWRPGZ-UHFFFAOYSA-N 324.797 1.782 0 40 DDAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 32247799 VDZYBXWBCHVFSG-HNNXBMFYSA-N 300.358 1.910 0 40 DDAB 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CN(C(=O)CN1CSCC1=O)c1nc2ccccc2s1 26962876 UWKIBLRZRZHWJL-UHFFFAOYSA-N 307.400 1.792 0 40 DDAB CCc1ccc(N2C[C@H](/C(O)=N/S(C)(=O)=O)CC2=O)cc1 48479381 FDGJCEPQHQNNKU-LLVKDONJSA-N 310.375 1.518 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CC1 12973926 IVWBEICXBHANTM-LLVKDONJSA-N 324.446 1.930 0 40 DDAB CC(C)N(C(=O)CN1CCN(c2ccccn2)CC1)C(C)C 48616585 GDUOIUGAXNDTLR-UHFFFAOYSA-N 304.438 1.849 0 40 DDAB C[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)Cn1ccnc1 70039517 LKUVFNISZCOWQD-LLVKDONJSA-N 311.345 1.186 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1cc2ccccc2oc1=O 64470268 AZCQTTUMZUHOOO-UHFFFAOYSA-N 302.330 1.391 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 65449883 KJNJGVHTWBBILF-UHFFFAOYSA-N 320.780 1.986 0 40 DDAB Cc1nnc2n1C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2 65552907 WEYDRPRJKBDQIG-OAHLLOKOSA-N 308.389 1.877 0 40 DDAB COCc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1 4558830 BUCKGZLPBOXLDU-UHFFFAOYSA-N 323.374 1.883 0 40 DDAB CC(C)c1nc2c(n1C)CCN(c1ncnc3c1cnn3C)C2 69512841 VHSLSFFRKQOBTH-UHFFFAOYSA-N 311.393 1.783 0 40 DDAB CCN1CCCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 69661565 AZYBJQSLDYEIMM-UHFFFAOYSA-N 317.389 1.539 0 40 DDAB C[C@H](OC[C@@H](O)CNCCOCCO)c1ccc(Cl)cc1 6936431 JSVCAZLHEZKVLX-WFASDCNBSA-N 317.813 1.377 0 40 DDAB COc1ccc(C(=O)N(C(C)C)C(C)C)cc1-n1cnnn1 96005661 ZKXNYWHJZPRRCZ-UHFFFAOYSA-N 303.366 1.930 0 40 DDAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1 89888021 ZSWNNNMDXVAKHX-DOMZBBRYSA-N 319.405 1.593 0 40 DDAB O=c1nc(Nc2ccc3ccccc3c2)nc(N2CCOCC2)[nH]1 9310754 IKXQAFTVMYMIGX-UHFFFAOYSA-N 323.356 1.898 0 40 DDAB C[C@H]1CCC[C@H](CO)N1C(=O)CCNC(=O)OC(C)(C)C 89927457 QCMKHKSDMNTHSL-NWDGAFQWSA-N 300.399 1.663 0 40 DDAB CCN(CC)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 71771799 DAKAJTMXVZUMSF-UHFFFAOYSA-N 306.391 1.738 0 40 DDAB CCSCCC(=O)N(CCN(C)C)C1CCN(C)CC1 71821558 IQGPVWFBYDWBMG-UHFFFAOYSA-N 301.500 1.614 0 40 DDAB CCO[C@@H]1C[C@@H]1C(=O)NCC1(N2CCCCC2)CCOCC1 71896785 UECKXYLDHNCSPR-LSDHHAIUSA-N 310.438 1.563 0 40 DDAB Cc1csc(N2CCN(CC(=O)N3CCCC3)C[C@@H]2C)n1 71877504 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CCc1nnsc1C(=O)N1CCOC[C@@H]1c1cccn1C 97144173 FIDSLEHSFPPEBU-GFCCVEGCSA-N 306.391 1.653 0 40 DDAB Cn1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cn1 87501257 LCQBFICQEFXKLT-LLVKDONJSA-N 306.316 1.707 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 84335492 VNAXDBADRICOLO-LSDHHAIUSA-N 310.344 1.636 0 40 DDAB O=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1cnccn1 95403667 ICNVBNPLRNGCLD-SNVBAGLBSA-N 307.300 1.336 0 40 DDAB CN1C[C@@H](NC(=O)c2ccccc2NCc2cccnc2)CC1=O 78995676 MSWZDHKPACZLAZ-AWEZNQCLSA-N 324.384 1.654 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 74448260 MBMYFKJLJAGERE-HIFRSBDPSA-N 318.421 1.166 0 40 DDAB NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1 67335267 LHQDCXLJHZHFAW-UHFFFAOYSA-N 321.383 1.677 0 40 DDAB N=c1nc2c(c[nH]1)CN(C(=O)C1(c3cccnc3)CCCC1)CC2 555528099 CZPYGBCDJZNHGP-UHFFFAOYSA-N 323.400 1.681 0 40 DDAB Cc1cc(C)cc(OCCN(C)C(=O)CN2NC(=O)C[C@@H]2C)c1 521395226 CVPXSCHJHSZRQQ-AWEZNQCLSA-N 319.405 1.266 0 40 DDAB O=C(NCc1cccc(N2CCOCC2)n1)[C@H]1C[C@@H]1C(F)F 549081850 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DDAB Cc1noc(C)c1S(=O)(=O)N1CC(Oc2nccs2)C1 218793797 WFRMBUUYNCYJFW-UHFFFAOYSA-N 315.376 1.200 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713578 JJTDZOANXOVTOJ-ZDUSSCGKSA-N 318.421 1.596 0 40 DDAB O=C1NCCN1C(=O)NCc1nccnc1-c1cccs1 575620048 JHBJWOOJTORQBM-UHFFFAOYSA-N 303.347 1.440 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccco1 30847457 XRSBKOCTOJHEDU-QWRGUYRKSA-N 310.350 1.102 0 40 DDAB O=C1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CCN1 40459124 SYBLRRZBVJLDHK-SECBINFHSA-N 319.188 1.165 0 40 DDAB CC(=O)NCCCNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 40511028 BGPLAKHRADBJPB-UHFFFAOYSA-N 321.768 1.177 0 40 DDAB CC(C)COC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1 260738 FTQWYJFAPRUITF-ZIAGYGMSSA-N 324.352 1.992 0 40 DDAB COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 2630262 HYVXFIPUNPDWBJ-CQSZACIVSA-N 307.394 1.437 0 40 DDAB CN1C(=O)N(C2CCCCC2)C(=O)[C@@](C)(CN2CCCC2)C1=O 1574187 RDQFZTFJCHENPM-KRWDZBQOSA-N 321.421 1.842 0 40 DDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 3328496 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Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](C)C(=O)N(C)C 46830218 SKMXDLWUTGRKLG-QMMMGPOBSA-N 307.375 1.918 0 40 DDAB CN(C)c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cn1 22421311 IDPCBWYMKCTQOA-UHFFFAOYSA-N 312.329 1.731 0 40 DDAB CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 798540 DEMJJUAVBAHYOJ-UHFFFAOYSA-N 310.419 1.566 0 40 DDAB COC(=O)C1[C@@H]2C3C4[C@@H](C(C(=O)OC)[C@@H]3[C@H]3C[C@H]23)[C@H]2C[C@H]2[C@H]14 101003053 IBCKSPPYENJLNL-ICTISBPLSA-N 302.370 1.589 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)NCC[C@H]1CCCO1 23189284 ZITYFDXAGRPFII-CQSZACIVSA-N 321.373 1.962 0 40 DDAB COC1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1 54231994 DQDHMSYCFLHPDD-QPJJXVBHSA-N 318.373 1.201 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)NC[C@H]1CCOC1 47718549 LIHVNZOKOYKHGX-CYBMUJFWSA-N 306.362 1.336 0 40 DDAB NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 54389455 ONOWGRFPCJGACN-UHFFFAOYSA-N 322.372 1.493 0 40 DDAB Cc1cnc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cn1 23535725 BJFPGKVXVZPMIY-UHFFFAOYSA-N 310.357 1.383 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1F 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Cc1cc(C)n(-c2ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn2)n1 44954232 FAGRQFFVHMAHHD-NSHDSACASA-N 322.390 1.256 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CN2CCOCC2)c1C 44943293 TVFXJYHCDXEPGD-JTQLQIEISA-N 307.394 1.285 0 40 DDAB O=C1C[C@@H](C(=O)NCCCn2ccnc2)c2ccc(F)cc2N1 48301864 LSRXFPZVQGFWRU-CYBMUJFWSA-N 316.336 1.655 0 40 DDAB CC[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 28504428 SPBNLTNLRCGKRF-SECBINFHSA-N 304.437 1.661 0 40 DDAB Cc1cc(C)n(-c2ccc(SCC(=O)NC3CC3)nn2)n1 11068183 SQNDSTGHLJKOSZ-UHFFFAOYSA-N 303.391 1.650 0 40 DDAB COC(=O)C1CCN(C(=O)CSc2ccc(O)cc2)CC1 38078757 PHUUOQKIYLXZID-UHFFFAOYSA-N 309.387 1.896 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1F 12920932 GSJSAFGIQVTKNV-UHFFFAOYSA-N 302.309 1.084 0 40 DDAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)NC1CCCCC1 70037381 PZUWAXOGPRLEJQ-HNNXBMFYSA-N 316.442 1.763 0 40 DDAB C[C@H](Sc1ncnc2ccsc12)C(=O)N1CCNC1=O 8329097 GHGPWJODNWPYSG-ZETCQYMHSA-N 308.388 1.724 0 40 DDAB Cc1c(C(=O)OCc2cc(=O)n3c(C)csc3n2)cnn1C 13297470 VYYNDSJBQPNSCR-UHFFFAOYSA-N 318.358 1.463 0 40 DDAB C[C@@H]1CC(=O)c2cc(C(=O)NCc3cccnc3)c(=O)[nH]c2C1 49551582 UVMKNHXIWRLGBZ-JTQLQIEISA-N 311.341 1.465 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2)nn1 5026067 WDPRJTWHVUQTPE-UHFFFAOYSA-N 308.725 1.747 0 40 DDAB COc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409376235 WFCJKVPGEVLGLL-NFFDBFGFSA-N 303.314 1.678 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65402466 VBMALTKIYUJYSY-CQSZACIVSA-N 315.417 1.558 0 40 DDAB CC(C)(NC(=O)c1cnc(-c2ccccc2F)s1)C(N)=O 65410409 MOVKLOHRNNPHAE-UHFFFAOYSA-N 307.350 1.943 0 40 DDAB CN(C(=O)Cn1[nH]c(=O)ccc1=O)[C@H]1CCCc2ccccc21 65554458 FPYOEGHXXILTNL-AWEZNQCLSA-N 313.357 1.073 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)c3cnccn3)cn2)C[C@@H](C)O1 65537634 FRIIZKMEOGFEPJ-TXEJJXNPSA-N 313.361 1.738 0 40 DDAB CN1CCN(c2ncnc3c2cnn3C)[C@@H](c2ccccc2)C1 14267264 ZRBSJVCKCNBEGC-OAHLLOKOSA-N 308.389 1.856 0 40 DDAB CC(C)C[C@@H](C(=O)N1CCOCC1)N1Cc2ccccc2C1=O 5522431 WUWIADLZQWFISA-INIZCTEOSA-N 316.401 1.916 0 40 DDAB NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O 5769629 ZJEPNINFDREESI-UHFFFAOYSA-N 323.308 1.829 0 40 DDAB NC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 90023189 RXYMZXLZOQPRRF-ZDUSSCGKSA-N 303.362 1.493 0 40 DDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 8937252 FAGINUSFMIPOKE-ZDUSSCGKSA-N 307.325 1.649 0 40 DDAB C[C@H](Cc1cc(NC(=O)Cn2ncn(C)c2=O)[nH]n1)C(C)(C)C 96004805 OLDGCSFSOXXMKA-SNVBAGLBSA-N 320.397 1.168 0 40 DDAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccn1 9338877 YGTOHQCWZWDFMQ-NSHDSACASA-N 316.361 1.123 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H](c2nncn2C)C1 89904245 OOSOHOFRXUAIAC-OLZOCXBDSA-N 317.393 1.928 0 40 DDAB COc1ccnc(N2CCC[C@@H]2c2c(C)nn(C)c2OC)n1 75584779 POYHWAHDZCCMOQ-LLVKDONJSA-N 303.366 1.877 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCCc1ccsc1 71875688 MDUOYWXOYFXZBI-HNNXBMFYSA-N 318.446 1.768 0 40 DDAB Cc1nc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 71864074 VHLMVHSJASKGSP-OAHLLOKOSA-N 302.378 1.229 0 40 DDAB CC(C)Oc1ccc(C(=O)N(CC(N)=O)C2CCCC2)cn1 71821140 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O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN2C(=O)NC[C@@H]2C1 95439715 JPIVZOVZLJHLCY-GBJTYRQASA-N 305.422 1.829 0 40 DDAB O=C(CCc1nccs1)N1CCN([C@H]2CCC[C@@H]2O)CC1 78789412 WDOMNMJGWAINDL-STQMWFEESA-N 309.435 1.133 0 40 DDAB COc1ccc(CNS(=O)(=O)N2CCSCC2)cc1 89444046 ZBARDHXRTZDASR-UHFFFAOYSA-N 302.421 1.078 0 40 DDAB CC[C@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 113939259 YYJKBWDYQHSSNN-VIFPVBQESA-N 320.361 1.646 0 40 DDAB O=C(OCCN1CCOCC1)c1c(Cl)nc2sccn12 21548794 WPAODJARZBNANF-UHFFFAOYSA-N 315.782 1.538 0 40 DDAB CC(C)(C)OC(=O)C(C[C@H](N)C(=O)O)C(=O)OC(C)(C)C 38228954 QGYDDDZJFUWBJQ-VIFPVBQESA-N 303.355 1.088 0 40 DDAB in-vitro Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2C)cc1 32508693 ZMCNAEPKMHSXDG-QWHCGFSZSA-N 310.444 1.695 0 40 DDAB CCS[C@@H]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 72535967 ZKNQYZKMRBDTOX-NWDGAFQWSA-N 309.435 1.801 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCc2ccccc21 30775420 QEIFLXBEJNPYIE-UHFFFAOYSA-N 312.373 1.361 0 40 DDAB CCN1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 68427516 ICJJGNLDZGNZSD-UHFFFAOYSA-N 317.393 1.371 0 40 DDAB COC(=O)c1cc(C)sc1NC(=O)c1nccnc1C(=O)O 72401762 RAOPLFOZUDRTRX-UHFFFAOYSA-N 321.314 1.584 0 40 DDAB O=C(NCC(F)(F)F)C(=O)NCC1(c2ccc(F)cc2)CC1 49512675 QGBCZCMUNPKCIA-UHFFFAOYSA-N 318.270 1.652 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)n2nc(C)ccc2=O)cc1 44394771 YHIJHSOFXAWPOL-LBPRGKRZSA-N 301.346 1.438 0 40 DDAB C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)Cc1cccc(F)c1 195566135 CUTMREDOLHKNNQ-XEZPLFJOSA-N 324.396 1.938 0 40 DDAB COC(=O)c1ccc(Cl)c(N2C[C@@H](C(=O)OC)CC2=O)c1 45953302 ZERGANOFUHUTTO-VIFPVBQESA-N 311.721 1.653 0 40 DDAB O=S(=O)(Cc1c(F)cccc1F)C[C@H](O)C(F)(F)F 195564212 LYLABFHKKSFQNY-VIFPVBQESA-N 304.236 1.803 0 40 DDAB Cc1noc([C@]23COC[C@H]2CN(Cc2csc(C)n2)C3)n1 96208750 ASUCLBWYQNXWIJ-BXUZGUMPSA-N 306.391 1.543 0 40 DDAB CCc1ccc(C(=O)N2CC[C@@H]3[C@H]2CC(=O)N3CCOC)cc1 96081193 PXBPXIOZQPGIMR-HZPDHXFCSA-N 316.401 1.711 0 40 DDAB c1cncc(CO[C@@H]2C[C@H]3CN(Cc4cccnc4)CCN3C2)c1 96183400 QFOMLUPGDZTTDN-RBUKOAKNSA-N 324.428 1.952 0 40 DDAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)c2ccccc2F)CO1 96240709 ZVWLOKGTMGYPQR-SUMWQHHRSA-N 323.364 1.862 0 40 DDAB O=C(COCc1nc(-c2cccnc2)no1)NC1CCCC1 96182082 XWNVRWGAXBUKRL-UHFFFAOYSA-N 302.334 1.707 0 40 DDAB COC[C@H]1COCCC12CCN(C(=O)c1ncccn1)CC2 96106379 DVLIEPSFBDZJON-ZDUSSCGKSA-N 305.378 1.382 0 40 DDAB Cn1cc(S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)cn1 96501469 OKYOKFOZUNOHEJ-UHFFFAOYSA-N 318.362 1.016 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3ccsc3)C2)C1 96201974 PNVNEWMODIMBTL-INIZCTEOSA-N 310.463 1.919 0 40 DDAB O=C(C1CC1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239725 KDILBLIXTBXYLA-HNNXBMFYSA-N 322.359 1.951 0 40 DDAB COc1cccc2c1CCN(C(=O)NCC[C@H](C)[S@](C)=O)C2 96501293 ZACIYWDILNRNJU-AMXDTQDGSA-N 324.446 1.920 0 40 DDAB CCN1C(=O)CCC[C@]12CCCN(c1cc(OC)ncn1)C2 96229847 RNZVKKGFIVCNBK-MRXNPFEDSA-N 304.394 1.857 0 40 DDAB O=C(c1cccc(-n2cccn2)c1)N1CC(Nc2ncccn2)C1 253471873 GHNCREGCRLBPMU-UHFFFAOYSA-N 320.356 1.599 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@]3(C)NCCCC[C@H]23)c1 257223364 DXAGZDKAVCWBLI-JSGCOSHPSA-N 312.439 1.105 0 40 DDAB O=C(NCCn1ccc2ccoc2c1=O)c1cnn2cccnc12 253472655 ODISGXWLBAHTSA-UHFFFAOYSA-N 323.312 1.067 0 40 DDAB Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cn1 257326946 WZFHJJPWGQNOSY-INIZCTEOSA-N 323.462 1.985 0 40 DDAB O=C(C1CCNCC1)N1Cc2nccn2C[C@@H]1c1ccccc1 257220190 DJXYSAPRFXIECD-MRXNPFEDSA-N 310.401 1.966 0 40 DDAB Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)nn1C 575410750 FGLIPTRBAOITBQ-ZBFHGGJFSA-N 310.357 1.898 0 40 DDAB COCCN1CC[C@@]12CCCN(C(=O)c1csc(C)n1)C2 585102038 OLHGKXUQDUBSFJ-OAHLLOKOSA-N 309.435 1.778 0 40 DDAB Cc1nn(C[C@H](C)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(=O)o1 585141264 SHEJGUPHQQLMJK-ZENOOKHLSA-N 318.421 1.814 0 40 DDAB O=C(N=c1ccc2c([nH]1)OCCO2)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 585123880 JRRKLFTVOMYWAK-VBNZEHGJSA-N 308.337 1.799 0 40 DDAB CCOC(=O)CCC(=O)N1CCC(Cn2ccnc2C)CC1 62017633 GRTDKLBUROWDJG-UHFFFAOYSA-N 307.394 1.773 0 40 DDAB O=C(CNc1cnc([C@@H]2CCCNC2)cn1)N1CCCCC1 72365283 DJDRKQVGLHVPFC-CYBMUJFWSA-N 303.410 1.368 0 40 DDAB CCOC(=O)[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(C)(C)C 75108715 DBWWQDOJGUJOHP-NWDGAFQWSA-N 321.439 1.453 0 40 DDAB CN(Cc1ncc[nH]1)C[C@H](c1cccs1)N1CCOCC1 78806167 ZASXJMZZYJXICS-CYBMUJFWSA-N 306.435 1.977 0 40 DDAB Cc1cc(N2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)ncn1 585416071 WXIYQDLKEMWTEY-VXGBXAGGSA-N 322.376 1.024 0 40 DDAB C1CCN(C2CCN([C@@H]3COC4(CCNCC4)C3)CC2)CC1 19201485 ZREJDHYRNJQOCB-KRWDZBQOSA-N 307.482 1.848 0 40 DDAB O=C(C1CC1)N1CCC[C@H](Cn2nnc(-c3ccncc3)n2)C1 19406010 LLXADWMFYBMQDG-LBPRGKRZSA-N 312.377 1.384 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CC[C@H](Oc2cnccn2)C1 225794336 LGNXGXYYIFQOMI-NSHDSACASA-N 300.318 1.636 0 40 DDAB CCN1C(=O)NC2(CCN(C(=O)c3cccs3)CC2)C1=O 11612488 MRCVEMCNSVWRPH-UHFFFAOYSA-N 307.375 1.295 0 40 DDAB Cc1noc(C)c1C(=O)NCC1CCN([C@H]2CCOC2)CC1 575605691 GVJCCSYFTIMHGE-AWEZNQCLSA-N 307.394 1.522 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(C)C)cc1 4332750 RTJHPEXGQYKHBP-LLVKDONJSA-N 322.361 1.722 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1F 36300058 RNDSISQKRXUYEK-UHFFFAOYSA-N 302.371 1.207 0 40 DDAB O[C@]1(COc2ccc(F)cc2)CCCN(Cc2cc[nH]n2)C1 2037905652 WMEZIVQSBVSTNE-MRXNPFEDSA-N 305.353 1.955 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@@H]2C[C@@]21C(=O)N1CCCC1 2056224956 IXDGOBXJKUSYNO-PBHICJAKSA-N 306.406 1.417 0 40 DDAB COCCCN1C[C@@]2(CCCCN2C(=O)C2(F)CC2)CC1=O 1614931213 WKVHYPFVENSODZ-OAHLLOKOSA-N 312.385 1.509 0 40 DDAB O=C(NCc1cccs1)N1CCCN([C@H]2CCOC2)CC1 1565523733 ZABKESPBWAXPBF-ZDUSSCGKSA-N 309.435 1.754 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)C1CCCC1 9570826 YHNJNLXPALBTDU-UHFFFAOYSA-N 307.304 1.747 0 40 DDAB Cc1cc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)ncn1 2086889222 REWOTZPENFALND-UHFFFAOYSA-N 310.423 1.178 0 40 DDAB CCCC[C@@H](CC)Cn1c(NC)nc2c1c(=O)[nH]c(=O)n2C 36693367 NJQLASMFRJUOKC-SNVBAGLBSA-N 307.398 1.681 0 40 DDAB COc1ncccc1C(=O)NCc1cn(-c2ccsc2)nn1 575619571 WKCKAXJTKTTXEG-UHFFFAOYSA-N 315.358 1.662 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@@H](OCCO)c1ccsc1 575621665 QOTLUPUCXHZISN-GFCCVEGCSA-N 310.375 1.833 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)nn1 575611857 YOYMEBIBXLFUFG-LLVKDONJSA-N 318.358 1.600 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@@H]1C[C@@H](O)[C@@H](CO)C1 85468898 LAAVOIIZVVFMLN-HLLBOEOZSA-N 315.369 1.467 0 40 DDAB C[C@H]1CCO[C@]2(O1)C(=O)N(CN1CCOCC1)c1ccccc12 27903069 ISQFMGIREOXAJJ-SUMWQHHRSA-N 318.373 1.301 0 40 DDAB CC(C)[C@@H](CNC(=O)NCc1ccccc1)N1CCN(C)CC1 40058136 OGIFHEXCQDFCAM-QGZVFWFLSA-N 318.465 1.758 0 40 DDAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cnccn1 30820091 JVZWHMDROOPATG-UHFFFAOYSA-N 307.317 1.717 0 40 DDAB CCc1c(C(=O)NCCNC(C)=O)cnn1-c1ccc(C)cc1 40498151 RUSZGEJOJDTJII-UHFFFAOYSA-N 314.389 1.609 0 40 DDAB O=C(Nc1cccc(NC(=O)c2cccc[n+]2[O-])c1)NC1CC1 51061158 TVFUMVSMFVGTAI-UHFFFAOYSA-N 312.329 1.856 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C)cc1F 51317756 BSGRHZTVQSDIPO-ZDUSSCGKSA-N 318.352 1.932 0 40 DDAB O=C1NC[C@@H]2CN(Cc3c(F)cccc3N3CCCC3)CCN12 91865574 DFSXICFZWFKCNA-CYBMUJFWSA-N 318.396 1.635 0 40 DDAB Cc1cc2cc3c(cc2n2c(SCC(N)=O)nnc12)OCO3 412596 QBEMHCDUIIXYKA-UHFFFAOYSA-N 316.342 1.497 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnnn1C 29277001 CHXBUGMNJOADTJ-UHFFFAOYSA-N 319.390 1.290 0 40 DDAB O=C(NCCc1cccc(O)c1)NCC(=O)N1CCCCC1 69774453 KZYYMJVDQICLPY-UHFFFAOYSA-N 305.378 1.246 0 40 DDAB Cc1n[nH]c(SCc2cccc(S(=O)(=O)N(C)C)c2)n1 11700012 QJQBTGMGPPCHNE-UHFFFAOYSA-N 312.420 1.656 0 40 DDAB CCOc1ccc([C@]2(O)C[C@](O)(C(F)(F)F)NC(=O)N2)cc1 16732321 ADIRPQOUUJCVFF-NEPJUHHUSA-N 320.267 1.184 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689081 BWRSGRZRDOUIBL-UHFFFAOYSA-N 315.329 1.195 0 40 DDAB COCC(=O)Nc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1 32771676 FQNWGIJFNUCGRP-LLVKDONJSA-N 307.394 1.987 0 40 DDAB CCN(CC)S(=O)(=O)NCCCc1ccc(N(C)C)cc1 32825779 FZPBBKSSUOIRGD-UHFFFAOYSA-N 313.467 1.861 0 40 DDAB Cc1c(Br)c(C(=O)N[C@H](C)[C@@H]2CCCO2)nn1C 2777537 MJLJDINTWNGMNN-APPZFPTMSA-N 316.199 1.788 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 22283112 ISQJAZGBYUBSHC-VIFPVBQESA-N 305.359 1.577 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)C(=O)NCc1ccco1 9993510 NTQDLKRSYHSGCM-UHFFFAOYSA-N 311.341 1.736 0 40 DDAB Nc1nc(CN2CCNC(=O)C2)nc2sc3c(c12)CCCC3 53778749 QYLHCBKWFBCAEJ-UHFFFAOYSA-N 317.418 1.084 0 40 DDAB COCCN1CCN(CC(=O)N2CCc3ccccc32)C[C@@H]1C 70018206 SDTXOWONHKGRRQ-HNNXBMFYSA-N 317.433 1.228 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(C(=O)NC2CC2)CC1 42933251 NATBEPDFDBCFTP-UHFFFAOYSA-N 310.442 1.028 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1 55215205 UQPHDBGSRMNSPC-QSYFUGGGSA-N 308.403 1.493 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)Cn2cccn2)c1C 24805623 QDSMKWWAZMQKPH-JTQLQIEISA-N 318.377 1.823 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccc[nH]c1=O)c1cccs1 25086733 CLTMAKSRCSKHJK-JTQLQIEISA-N 306.343 1.471 0 40 DDAB COC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894766 BLVFQFQBNSNNGQ-UHFFFAOYSA-N 304.390 1.373 0 40 DDAB CN(CC1CC1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 47904414 JQWTURQIBSHMGT-UHFFFAOYSA-N 307.394 1.500 0 40 DDAB COc1cc(OC)c(NC(=O)CCn2cncn2)cc1Cl 25157790 GCFPBCGTVBVUKQ-UHFFFAOYSA-N 310.741 1.978 0 40 DDAB O=C(NC[C@H]1COCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 55847829 IAOMLWYUSALZPZ-GJZGRUSLSA-N 324.421 1.089 0 40 DDAB COC[C@H](C)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 25381470 RGRGLSQAVNNIJU-VIFPVBQESA-N 323.418 1.616 0 40 DDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2cccnc12 25434967 SNFDGFJJBHMVHS-AWEZNQCLSA-N 313.357 1.098 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1 56057186 FGGFAIAFYNDSTQ-LLVKDONJSA-N 324.427 1.731 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1NS(C)(=O)=O 56959808 GWUNKQQWFAGYKB-ZWNOBZJWSA-N 312.391 1.414 0 40 DDAB C[C@@H](NC(=O)NCCc1ccccc1)C(=O)NC1CCCC1 58014419 ZLCIRTQSMGPYRW-CYBMUJFWSA-N 303.406 1.976 0 40 DDAB COC(=O)N(C)CC(=O)NCc1cccc(Cn2ccnc2)c1 48123410 FKPVGSVFGLQJPP-UHFFFAOYSA-N 316.361 1.246 0 40 DDAB C[C@@H](C(=O)NC1CCSCC1)N1C(=O)c2ccccc2C1=O 58161073 KZPNEJAWNUDUTL-JTQLQIEISA-N 318.398 1.683 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)CCNc2ncccn2)CC1 58283487 COIJYOWFHWNBGY-AWEZNQCLSA-N 305.426 1.515 0 40 DDAB COc1c(CNCc2cccc(C(=O)N(C)C)c2)c(C)nn1C 58296416 VAOMHYCWGRJPMP-UHFFFAOYSA-N 316.405 1.729 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccc2)no1 44943459 YEBJYKMMYOQAEP-CYBMUJFWSA-N 315.373 1.792 0 40 DDAB Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C 12741249 PHRUCVJSMMHZTF-UHFFFAOYSA-N 307.375 1.268 0 40 DDAB CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)NC2)cn1 48286491 RXXRBYDHOFGXIQ-ZDUSSCGKSA-N 304.394 1.070 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)Cn1cccn1 48230329 ZXGWHUHQJZDOCQ-GFCCVEGCSA-N 321.402 1.495 0 40 DDAB CC(=O)NCCNC(=O)NCc1ccc(-c2ccn[nH]2)cc1 48331916 KTHGFUQODJRIRB-UHFFFAOYSA-N 301.350 1.012 0 40 DDAB NC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 48354271 RYXFODGUOSPWMP-SECBINFHSA-N 318.345 1.385 0 40 DDAB Cc1ccc(NC(=O)COCC(=O)Nc2ccc(C)cn2)nc1 69464103 KWAGVGYGEMVCQL-UHFFFAOYSA-N 314.345 1.687 0 40 DDAB C[C@H]1CN(CC2(O)CCCCC2)CCN1Cc1nccn1C 69442906 NNPQIKUAMFHKHN-HNNXBMFYSA-N 306.454 1.621 0 40 DDAB CCOc1ccc(Br)cc1NCC(=O)NC(N)=O 69593935 NKBGZWNGZFKGLM-UHFFFAOYSA-N 316.155 1.455 0 40 DDAB Cc1ccc(CNC(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F 69562559 FYLBZYQOFWQSFA-JSGCOSHPSA-N 321.396 1.336 0 40 DDAB CC(C)OCC(=O)NS(=O)(=O)Cc1ccc(Cl)nc1 49515151 WVRXHZJWBBVBNT-UHFFFAOYSA-N 306.771 1.106 0 40 DDAB CCc1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4198001 LKPOBHQMUOURDX-CYBMUJFWSA-N 311.403 1.273 0 40 DDAB COc1ccc2c(C)c(CCC(=O)NCCCO)c(=O)oc2c1 13685037 HXYHYELATKKGMN-UHFFFAOYSA-N 319.357 1.541 0 40 DDAB Cn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O 5000050 YDZNLPDTUAQMEU-UHFFFAOYSA-N 315.373 1.149 0 40 DDAB Cc1ccnc(NC[C@@H]2CCN(CCC(=O)NC3CC3)C2)c1 65475302 FGIBZDJMMIFIFT-AWEZNQCLSA-N 302.422 1.793 0 40 DDAB COc1ccc(OC)c(CN2CCN(CCC(=O)O)CC2)c1 69948351 GILNGERIDXDPHJ-UHFFFAOYSA-N 308.378 1.296 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2ccccn2)CC1 14063107 RKHRGYMYSKOCJK-UHFFFAOYSA-N 323.396 1.908 0 40 DDAB C[C@H](C(=O)Nc1ccccc1)N1CCN(C(=O)C2CC2)CC1 14093790 JZYOFIWDTNCZPO-CYBMUJFWSA-N 301.390 1.568 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)nc(C)[nH]c1=O 65592425 OGONYZNTUHLHBK-CYBMUJFWSA-N 323.393 1.023 0 40 DDAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NC(C)(C)C)n1 65589273 ZTHLIWGLUIZOAA-LBPRGKRZSA-N 306.410 1.564 0 40 DDAB COc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1Br 5355345 IXMYBFSIBBGGJY-LURJTMIESA-N 302.124 1.488 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14120636 SDCLJVWZPNXLLW-HNNXBMFYSA-N 307.325 1.119 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1 4668541 DSOOEHVNCNKAPL-GFCCVEGCSA-N 314.363 1.033 0 40 DDAB COC(=O)c1nnn(CC(=O)c2ccc(C)cc2)c1C(=O)OC 67240426 TWLYHIFTNYQJMU-UHFFFAOYSA-N 317.301 1.043 0 40 DDAB CCCCN(C)C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 80195405 BSNYXIVPYKXRTB-UHFFFAOYSA-N 319.405 1.514 0 40 DDAB CCCCn1nnnc1NCc1ccc2c(c1)n(C)c(=O)n2C 7262194 PBIJSXKEZSVFLV-UHFFFAOYSA-N 315.381 1.276 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 92569843 NPZBXNMNGBZICP-MNOVXSKESA-N 316.448 1.392 0 40 DDAB CC(C)CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842428 QDYUSCLMHLZGHF-UHFFFAOYSA-N 310.375 1.139 0 40 DDAB C[C@@H]1CN(C(=O)NCCCOC[C@@H]2CCCO2)CC(C)(C)O1 68543304 RJJDRTULUDRBTF-KGLIPLIRSA-N 314.426 1.781 0 40 DDAB O=C(CSc1nc2ncccn2n1)N1CCc2ccccc21 8938604 FYGWYCQQIYSGKH-UHFFFAOYSA-N 311.370 1.806 0 40 DDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCc1ccccc1 16375836 GVXHHGZVASGZDI-LLVKDONJSA-N 317.418 1.848 0 40 DDAB O=C(Cn1cnc2cnccc2c1=O)N1CCCc2ccccc21 96003391 QIEJYFKKMRXRCT-UHFFFAOYSA-N 320.352 1.771 0 40 DDAB Cc1nc(CS(=O)(=O)CCCC(=O)N(C)C)sc1C 84064402 RFZYCBCNTDCDOO-UHFFFAOYSA-N 304.437 1.543 0 40 DDAB CN1CC[C@H](NC(=O)NCCCCCc2ccccc2)C1=O 96415415 CVCMLXLOCAKQLS-HNNXBMFYSA-N 303.406 1.929 0 40 DDAB C[C@H](Cc1c(F)cccc1F)NC(=O)NCc1ncnn1C 96439335 WUZAGMHAUUUECK-SECBINFHSA-N 309.320 1.524 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](N(C)C)[C@H](C)C1 84177525 KHAICOHWJDLFGH-IUODEOHRSA-N 324.446 1.421 0 40 DDAB CCc1nnsc1C(=O)N1CCCC[C@H]1Cn1cccn1 71865111 PYWSSQMXTGEAFJ-NSHDSACASA-N 305.407 1.992 0 40 DDAB Cc1nc(N2CCC[C@@H](N3CCCC3)C2)c2cnn(C)c2n1 71816908 DJIBJEMHFAXISZ-CYBMUJFWSA-N 300.410 1.736 0 40 DDAB CC[C@@H]1CN(c2ncnc3ccsc23)CCN1C[C@@H](C)O 71859507 AUIAPNJTCHSAFW-VXGBXAGGSA-N 306.435 1.973 0 40 DDAB NC(=O)C1(NC(=O)c2cccc(Br)c2Cl)CC1 97054873 YRWMYNILWJKZFW-UHFFFAOYSA-N 317.570 1.850 0 40 DDAB Cc1nccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 97014729 ACCRXBCQAKCXQA-IAGOWNOFSA-N 310.401 1.875 0 40 DDAB O=C([C@H]1COCCO1)N(CCN1CCCC1)Cc1ccccc1 72277519 KIZSAIOBHOJFLP-QGZVFWFLSA-N 318.417 1.526 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)s1 72233938 ZYQIJGJNWZDEQN-SNVBAGLBSA-N 304.375 1.348 0 40 DDAB Cc1nnc(CN(C)[C@@H]2CCN(CCc3cccs3)C2)n1C 84291208 QRXRGWFAYDYZBP-CQSZACIVSA-N 319.478 1.934 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3cnn(C)c3)CC2)no1 97203486 IRVUMDAHVIKNAU-GFCCVEGCSA-N 317.393 1.923 0 40 DDAB Cn1c(C2CC2)nc2c1CCN(CC(=O)Nc1ccncc1)C2 84310803 BXFDOEISUMSFRO-UHFFFAOYSA-N 311.389 1.689 0 40 DDAB O=C1C[C@@H](C(=O)NC2(C(=O)O)CCCC2)c2ccc(F)cc2N1 95948857 MLOHTMLMBOTSDF-LLVKDONJSA-N 320.320 1.765 0 40 DDAB Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(CCO)CCO 95985975 GMEFRLLSAGSNGI-UHFFFAOYSA-N 323.780 1.465 0 40 DDAB O=C(CN1CCOc2ccc(Cl)cc21)NC1CCC(O)CC1 78965102 YAPBHIHOSYHDMB-UHFFFAOYSA-N 324.808 1.959 0 40 DDAB CCn1nc(C)c(NC(=O)N2CCC[C@H]2C(=O)N(C)C)c1C 89482590 ODTHUOGJCMGELT-LBPRGKRZSA-N 307.398 1.604 0 40 DDAB CC(C)[C@H]1OCC[C@H]1CNC(=O)CNC(=O)c1cccs1 79018474 JUQFUIOJJNILSX-SMDDNHRTSA-N 310.419 1.655 0 40 DDAB O=C(CNCCn1cccn1)N1CCC[C@H]1c1cccs1 89799969 LREOIVWYOXPJKK-ZDUSSCGKSA-N 304.419 1.898 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc3snnc3c2)CC1 408996302 CXLMHTANNSNVJD-UHFFFAOYSA-N 320.374 1.606 0 40 DDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)c(C)o1 306125461 CRWKIELPYBFYLC-CQSZACIVSA-N 316.405 1.927 0 40 DDAB c1cn2[nH]c(=N[C@@H]3CCN(Cc4cscn4)C3)ccc2n1 548022399 MMIOOUMDSQFQLG-LLVKDONJSA-N 300.391 1.294 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCN(C2CCC2)CC1 1551517672 HDDHCURFIKTBQG-IAGOWNOFSA-N 314.433 1.491 0 40 DDAB O=S(=O)(NCCCN1CCN(c2ccccc2)CC1)C1CC1 38592824 YMTMHSCUVDQYFS-UHFFFAOYSA-N 323.462 1.281 0 40 DDAB CCn1c(=O)n(CC)c2cc(NC(=O)CSCCO)ccc21 33666053 YOPNQMAEGLNHQR-UHFFFAOYSA-N 323.418 1.507 0 40 DDAB CO[C@H](C)CNC(=O)N1CCC(CN)(c2ccccc2)CC1 1553517409 KQOSCRPAMYZBEI-CQSZACIVSA-N 305.422 1.723 0 40 DDAB Cn1c(=O)c(-c2ccccc2)cc2cnc(S(C)(=O)=O)nc21 34424368 AYYAGZHKFLLINM-UHFFFAOYSA-N 315.354 1.399 0 40 DDAB CCN(CCCN(C)C)C(=O)N[C@@H]1COc2ccccc2C1 188759055 VRKNLDSQPZHTBY-HNNXBMFYSA-N 305.422 1.973 0 40 DDAB O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCOCC1 181225311 PVCLQBPVAUJCFR-DOTOQJQBSA-N 318.417 1.603 0 40 DDAB O=C(N[C@@H]1CC=CCC1)N1CCN(C(=O)c2ccco2)CC1 77642596 ISKFJBLVHJJGRL-CYBMUJFWSA-N 303.362 1.856 0 40 DDAB O=C(NCCOc1ccc(F)cc1)C(=O)NCc1cccs1 38490197 JYPNXCFBBDVYCN-UHFFFAOYSA-N 322.361 1.699 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)NCCOc2ccccc2)o1 75170219 HZWGEHWWJKRENV-AWEZNQCLSA-N 304.346 2.000 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1(C)C 73270197 JXFGYAZDZWPCNP-KANYHAFZSA-N 308.378 1.718 0 40 DDAB Cc1cc(CNS(=O)(=O)c2ccc(F)cc2)nc(N(C)C)n1 188284911 JVZHPJNEHRTFQI-UHFFFAOYSA-N 324.381 1.469 0 40 DDAB CC1(C)C[C@H](NC(=O)CN2C(=O)Cc3ccccc32)CCO1 521394395 VATJVFFDPUKGOM-CYBMUJFWSA-N 302.374 1.650 0 40 DDAB O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CCc2cncn2C1 569133292 NWUSBYMCVRPSPA-AWEZNQCLSA-N 322.372 1.343 0 40 DDAB CN1CCN(c2ncc(NC(=O)c3cccc(F)c3)cn2)CC1 224252215 GIOVDLKDAYHCRF-UHFFFAOYSA-N 315.352 1.620 0 40 DDAB NC1(CNC(=O)NCC2CCNCC2)C2CC3CC(C2)CC1C3 572015525 RQOAYEZUKDUGRK-UHFFFAOYSA-N 320.481 1.439 0 40 DDAB COc1ccc(Cc2ncc(CCC(=O)O)c(=O)[nH]2)cc1OC 223446089 JFBUNPXPBIIKKL-UHFFFAOYSA-N 318.329 1.395 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)Nc1nc(C2CC2)cs1 225648964 BJVMGRSMLLDTAV-UHFFFAOYSA-N 305.359 1.980 0 40 DDAB COC(=O)Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 94992599 HETDUAFXPGVVOW-UHFFFAOYSA-N 316.338 1.655 0 40 DDAB Cc1nc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)oc1C 96441684 QLUQIBQTJPGELP-OAHLLOKOSA-N 321.421 1.895 0 40 DDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(c3cnccn3)C[C@@H]2C1 96249547 WRIUIAZZHHIZMA-JKSUJKDBSA-N 324.384 1.454 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)[C@H]1CCOC1)CC2 96217811 YOBBFARPLHMBMJ-WMLDXEAASA-N 324.421 1.043 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2cc(F)c(F)cc2F)C1 96500478 FBVAGLLMRILCJA-MRVPVSSYSA-N 315.295 1.240 0 40 DDAB CO[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)(C)C 96443814 YESLBHZIZPQELJ-ZIAGYGMSSA-N 310.438 1.812 0 40 DDAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2cncnc2)COC1 96112607 MVQGVUFDSIDNFM-ZDUSSCGKSA-N 323.356 1.636 0 40 DDAB biogenic,in-vitro Cc1ccc([C@@H]2[C@H](C(=O)NCCCN(C)C)CC(=O)N2C)cc1 96181325 JVFSNQRSHCKSIF-NVXWUHKLSA-N 317.433 1.582 0 40 DDAB O=C1C[C@@H](NCc2cccc3cn[nH]c23)CN1CC(F)(F)F 96494364 QTIHHQXBLPVWNO-LLVKDONJSA-N 312.295 1.816 0 40 DDAB Cc1ccc(N2CC3(CCN(C(=O)c4cccnc4)C3)C2)nn1 96202734 MQNXMFJYFOTZEV-UHFFFAOYSA-N 309.373 1.533 0 40 DDAB Cc1nccc([C@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)n1 96046153 AKSJKZUQFGDNPT-USXIJHARSA-N 313.405 1.871 0 40 DDAB COc1cc(=O)n(CC(=O)NC(C)C)nc1-c1ccccc1 96184131 TVVKTBUAJSBBCJ-UHFFFAOYSA-N 301.346 1.444 0 40 DDAB Cc1cc(C)nc([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)n1 257269296 MPJLMQWHYUWILL-CQSZACIVSA-N 313.405 1.776 0 40 DDAB c1cnc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)nc1 253596005 LYYFZIQDXMYKMN-AWEZNQCLSA-N 312.373 1.936 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cccnc2Cl)C1 257312228 UMYBEVXQLHXOBQ-NSHDSACASA-N 317.842 1.796 0 40 DDAB CNCC(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C)c2)C1 257209846 BSCVSZZEQHYMDJ-OAHLLOKOSA-N 315.417 1.415 0 40 DDAB COCCN1CC[C@H](Cc2cncc(-c3cc(C)n[nH]3)n2)C1 257330880 XQJVXDANTYLDQU-CYBMUJFWSA-N 301.394 1.686 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257269653 MQUIRFGDWWDJAW-GFCCVEGCSA-N 314.345 1.408 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2cccn2)C[C@H]1c1ccccc1 257269120 MOQWDHSSODJEDU-INIZCTEOSA-N 312.373 1.315 0 40 DDAB CCn1nccc1-c1cnc([C@@H]2CCCN2S(C)(=O)=O)cn1 257299250 RPHJRZIMORONES-AWEZNQCLSA-N 321.406 1.457 0 40 DDAB O=C(CCF)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575404273 RFMIMGPAHAQZEE-ZDUSSCGKSA-N 317.426 1.876 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)CN1C 585103555 JENDYQXIYRGGKD-CQSZACIVSA-N 321.396 1.794 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1ccc(O)cc1 52963977 PJCMEQWKSVAXOH-LLVKDONJSA-N 302.330 1.762 0 40 DDAB COC(=O)c1ccc(NCC(=O)N2CCO[C@@H](C)C2)c(C)c1 58249269 LJMDRBUYXNDLLH-LBPRGKRZSA-N 306.362 1.441 0 40 DDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)CC2CCCC2)CC1 69566473 AEHDOGAUBFGZDC-AWEZNQCLSA-N 309.454 1.626 0 40 DDAB COc1ccc(-n2cnnc2SCC(=O)N(C)C(C)C)cn1 69581628 ASWQDOJVQMUVRQ-UHFFFAOYSA-N 321.406 1.630 0 40 DDAB CC(C)(C)c1nnc(CN2CCC[C@@H](Cn3cncn3)C2)o1 69630313 OYANZTBFHHPTDX-GFCCVEGCSA-N 304.398 1.871 0 40 DDAB C[C@H](O)CNC(=O)C1CCN(Cc2noc(C(C)(C)C)n2)CC1 65435162 UKWBEOWCJIDSEU-NSHDSACASA-N 324.425 1.076 0 40 DDAB C[C@@H](Oc1ccccc1F)C(=O)N1CC(OC[C@H]2CCOC2)C1 1565522766 PBXFDJMTSLOXIY-OLZOCXBDSA-N 323.364 1.857 0 40 DDAB O=C(c1c(F)cccc1F)N1CCN(C[C@@H](O)C2CC2)CC1 85436630 APHYLEYRVCEHAV-CQSZACIVSA-N 310.344 1.494 0 40 DDAB NC(=O)NC(=O)COc1ccc(Br)cc1Cl 4846902 LVWMMBCHDHXTOS-UHFFFAOYSA-N 307.531 1.676 0 40 DDAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCCC3)ccc21 12291408 BFXPHKKQFHOWOE-INIZCTEOSA-N 324.446 1.528 0 40 DDAB COc1ccc(CN2CCC(C(=O)N(C)OC)CC2)c(OC)c1 13999911 MXGXKMINBJQFGW-UHFFFAOYSA-N 322.405 1.936 0 40 DDAB Cn1cncc1CN1CCc2nc3ccccc3c(=O)n2CC1 19291841 RWVZJNXRBIBMKB-UHFFFAOYSA-N 309.373 1.188 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619619 FQOJPAYLDFVNPE-DGAVXFQQSA-N 303.314 1.596 0 40 DDAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1noc2c1CCCC2 211125252 MUURNAPZPUIMHM-LLVKDONJSA-N 302.334 1.964 0 40 DDAB Cc1nc2cc(C(=O)NC[C@@H](C)N3CCOCC3)ccc2n1C 19656350 WBJFORDLBGACLD-GFCCVEGCSA-N 316.405 1.332 0 40 DDAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)CC(C)C)no1 1775963763 BOZPTZKKZCIFCM-NSHDSACASA-N 324.381 1.042 0 40 DDAB biogenic,in-vitro CO[C@H]1COC2(CCN(C(=O)c3ncnc(C)c3C)CC2)C1 1614947217 DJSBQTLJBCRQPO-CYBMUJFWSA-N 305.378 1.504 0 40 DDAB O=C(N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1CCC1 2055729726 CGCKEZFWWICGQT-QWHCGFSZSA-N 319.405 1.015 0 40 DDAB Cc1cccc(CN2CC[C@@H]3OCC[C@H](C(=O)N(C)C)[C@H]3C2)n1 503794373 WTCXGCXQNIUCST-BBWFWOEESA-N 317.433 1.705 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1 40381421 XAKMDYVUOKFDSL-UHFFFAOYSA-N 314.363 1.716 0 40 DDAB in-vitro COc1ncccc1C(=O)NCc1nnc2n1CCCCC2 40496242 HWTPAHHOWCXWDB-UHFFFAOYSA-N 301.350 1.338 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cn[nH]c2)C1=O 40512183 DFEMGBQBONRKKZ-SNVBAGLBSA-N 300.318 1.552 0 40 DDAB Cn1cc(S(=O)(=O)NCCOc2cccc(Cl)c2)cn1 40539639 BRDGTXZXQPNTIV-UHFFFAOYSA-N 315.782 1.431 0 40 DDAB COc1ccc(CCC(=O)N2CCC(CC(N)=O)CC2)cc1 40542537 GTEWJRKUFGCOEY-UHFFFAOYSA-N 304.390 1.742 0 40 DDAB COCc1ccc(CNC(=O)[C@H](C)Sc2ncn[nH]2)cc1 40555307 NOVQHHBDRTUPJD-JTQLQIEISA-N 306.391 1.748 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1-n1cccn1 40548571 FZVNJZGOQNPOHL-CHWSQXEVSA-N 312.373 1.973 0 40 DDAB C[C@@H](OC(=O)c1ccc[nH]c1=O)C(=O)N1CCc2ccccc21 11425478 OVQOURXXNVSXJH-LLVKDONJSA-N 312.325 1.510 0 40 DDAB COC(=O)[C@H](C)Oc1nc(C)c(Br)c(OC)n1 188186 JCQAPVJVZRYLDN-LURJTMIESA-N 305.128 1.496 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 69740055 HDGPAXOHUSBQFK-RISCZKNCSA-N 324.402 1.119 0 40 DDAB Cc1ccc(Cl)cc1N(CC(=O)N(C)C)S(C)(=O)=O 972099 UPOCOQAEPWWEOI-UHFFFAOYSA-N 304.799 1.503 0 40 DDAB NS(=O)(=O)c1ccc(NCc2cnc3ccccc3n2)cc1 1871681 ZBXQQAIQGLIMCK-UHFFFAOYSA-N 314.370 1.889 0 40 DDAB in-vitro Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)CN1CCOCC1 46480530 XGWHDXWHKCTBDH-NSHDSACASA-N 310.398 1.154 0 40 DDAB C[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)N1CCOCC1 29960140 KYWDXWKBPNZOGS-LBPRGKRZSA-N 317.389 1.022 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)NC2CCCC2)cs1 6681660 GPZQKAKEGZAURV-UHFFFAOYSA-N 302.421 1.719 0 40 DDAB CCCCNC(=O)CCc1ccc(S(=O)(=O)NCC)cc1 6635524 AJYAJULSCZHMQI-UHFFFAOYSA-N 312.435 1.834 0 40 DDAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(N)=O 7089167 MOGYADBKJCWQNB-XVKPBYJWSA-N 307.331 1.548 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102233035 NRTXGKDVQAIEOG-HLFFCZDVSA-N 321.354 1.996 0 40 DDAB NC(=O)[C@H]1CCN(c2ncnc3c2cnn3-c2ccccc2)C1 52393458 XTNLUZBXNVYBGX-NSHDSACASA-N 308.345 1.127 0 40 DDAB Cc1cc2nnc(SCC(=O)NCc3ccco3)n2c(C)n1 32922624 LZXVHVQAIHAQBA-UHFFFAOYSA-N 317.374 1.743 0 40 DDAB C[C@@H](CO)CNC(=O)NCCc1cc(F)cc2c1OCOC2 54536559 XKXOGUGUTALZDY-SNVBAGLBSA-N 312.341 1.162 0 40 DDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H]2Cn2cccn2)o1 69778716 PWTRVSZPCDOSQR-HNNXBMFYSA-N 316.405 1.908 0 40 DDAB COC(=O)CN(C(=O)c1ccccc1)n1c(C)cc(C=O)c1C 9324272 UTJMXEXJEZNMOH-UHFFFAOYSA-N 314.341 1.869 0 40 DDAB Cc1[nH]ncc1C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 76083208 VGBUDGGEXLIFOO-OAHLLOKOSA-N 303.362 1.969 0 40 DDAB CCN1CCC[C@@H](NC(=O)Nc2ccccc2CC(=O)NC)C1 69417218 SLFHZTTWQMDAIM-CQSZACIVSA-N 318.421 1.581 0 40 DDAB O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1 69420859 WKXFTZMTZWAJDR-UHFFFAOYSA-N 322.430 1.887 0 40 DDAB CCCCN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 108532327 KZDLNLWONDIGSC-HOTGVXAUSA-N 303.406 1.797 0 40 DDAB CC(C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965911 SMKXAOOSEWXTDV-UHFFFAOYSA-N 316.398 1.897 0 40 DDAB CSc1ncn(-c2nc(NC(C)C)nc(NC(C)C)n2)n1 25495632 BHVSZEXEGQWIPK-UHFFFAOYSA-N 308.415 1.815 0 40 DDAB CCOc1cccc(N2CCN(C(=O)N3CCOCC3)CC2)n1 106507257 BGXSYSYECYVMLT-UHFFFAOYSA-N 320.393 1.055 0 40 DDAB COC(=O)[C@@H](CNCc1ccccn1)[C@H](O)c1ccncc1 12537008 PIHBIQNNBYFXDJ-LSDHHAIUSA-N 301.346 1.089 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1O 102914487 GQPZQKLPMIYYSU-PHIMTYICSA-N 300.314 1.282 0 40 DDAB CN(C)C(=O)COc1ccc(NC(=O)C2CCOCC2)cc1 25656888 RLQCVINLADMALB-UHFFFAOYSA-N 306.362 1.519 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 26015356 FEMFLRDJXKBFEI-VIFPVBQESA-N 322.390 1.372 0 40 DDAB C[C@@H]1NC(C(=O)NCC2CCC2)=NN(c2ccccc2)C1=O 26145567 WGLYDBWTGBYWEO-NSHDSACASA-N 300.362 1.241 0 40 DDAB Cc1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)n[nH]1 57146384 WMFOVFNOUIYOKC-UHFFFAOYSA-N 300.366 1.276 0 40 DDAB Cc1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1 12543870 SSPJHHSGYRCIEG-UHFFFAOYSA-N 324.340 1.422 0 40 DDAB CCC(C)(C)NC(=O)Cn1cc(Br)ccc1=O 47835045 ADESNNDNJSYVPL-UHFFFAOYSA-N 301.184 1.916 0 40 DDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1cccc(C(=O)OC)c1 25261757 XZKBPRAXHOCELT-BXKDBHETSA-N 307.350 1.495 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCO1 58282459 AMOWNSWZHFVYEQ-CBAPKCEASA-N 309.309 1.950 0 40 DDAB Cc1noc(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12696850 KSTGTDGTUMJIOG-UHFFFAOYSA-N 312.329 1.800 0 40 DDAB Cc1csc(N2CCN(C(=O)NCC(F)(F)F)CC2)n1 44970601 HSAJPVROITZMKU-UHFFFAOYSA-N 308.329 1.845 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)c(OC)c1 3385781 NTTWGZXFDHIEJZ-UHFFFAOYSA-N 320.301 1.796 0 40 DDAB CN(CCCC(=O)NC(N)=O)Cc1cccc(OC(F)F)c1 58377714 DSTMUQKMQFAOOO-UHFFFAOYSA-N 315.320 1.695 0 40 DDAB CN1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 3310193 QOGLDYJEDCCOFE-UHFFFAOYSA-N 305.403 1.509 0 40 DDAB CC[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 28504430 SPBNLTNLRCGKRF-VIFPVBQESA-N 304.437 1.661 0 40 DDAB Cc1ccc(-c2noc(CCC(=O)N3CCOCC3)n2)cc1 2405045 QNSBMWNGRXQCJA-UHFFFAOYSA-N 301.346 1.836 0 40 DDAB COc1cccc(NC(=O)CN(C)C(=O)c2cc(C)no2)c1 36726253 HMOXOZQNJXYPRN-UHFFFAOYSA-N 303.318 1.702 0 40 DDAB CN1CCC(N(C)CCN(C)C(=O)NC2CCCCC2)CC1 69599831 REFRYXJAVUGVFQ-UHFFFAOYSA-N 310.486 1.987 0 40 DDAB CC[C@H]1CN(C(=O)c2[nH]nc(C)c2Br)CCO1 48912777 ZSAWOTWVHMKWJH-QMMMGPOBSA-N 302.172 1.732 0 40 DDAB Cc1nc2n(n1)C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)CC2 69894970 NAIKSBPXWLGZHM-GOEBONIOSA-N 313.405 1.320 0 40 DDAB Cc1cc(C)n(C2CN([C@H](C)C(=O)Nc3nccs3)C2)n1 69920317 HHSNEXMRUWPHPE-LLVKDONJSA-N 305.407 1.840 0 40 DDAB CC(C)Cn1nc(C(=O)O[C@@H](C)C(N)=O)c2ccccc2c1=O 5102735 GBEQGHBNQNZWDK-JTQLQIEISA-N 317.345 1.083 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cn[nH]n2)c1 65551800 HHMZYVVZWPYHGD-ZDUSSCGKSA-N 302.334 1.799 0 40 DDAB CCS(=O)(=O)NCCNC(=O)c1cc(C(C)C)ccc1O 65533293 MNVQCXIAEGNQID-UHFFFAOYSA-N 314.407 1.185 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O 66083932 LZIAVWNIQKJVIG-MRXNPFEDSA-N 320.345 1.355 0 40 DDAB CCN(CC)[C@@H]1CCN(C(=O)NCc2c(C)nn(C)c2C)C1 173476263 MDPOMDVCHHXSPC-CQSZACIVSA-N 307.442 1.663 0 40 DDAB CC(C)CNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842644 JPULBDKKRZIKLH-LLVKDONJSA-N 324.402 1.385 0 40 DDAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(C)ns1 90622553 SVJJBMUKGDPNTI-UHFFFAOYSA-N 318.402 1.876 0 40 DDAB COc1ccccc1CNC(=O)c1ccccc1-n1nnnc1C 71288729 PLGJVVUCWWOIBE-UHFFFAOYSA-N 323.356 1.909 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 71794564 MNOWXHWXSCAYOW-ZDUSSCGKSA-N 321.446 1.624 0 40 DDAB COc1ccccc1/C(C)=C/C(=O)N1CCCN(C(N)=O)CC1 71847517 HTKACIJXOJHJNK-OUKQBFOZSA-N 317.389 1.712 0 40 DDAB CCO[C@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 71825552 NPJJXUGNSJHLQB-LBPRGKRZSA-N 315.373 1.493 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)[nH]n1 71839626 YPDKTTHOOPTWJW-UHFFFAOYSA-N 318.381 1.183 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2nccnc2N)n1 71872065 SXKBMGDQUSROLI-LBPRGKRZSA-N 300.366 1.177 0 40 DDAB O=C1C=C(Nc2ccccc2Br)C(=O)N1CCO 21945314 MFUNCCIJHOVDAG-UHFFFAOYSA-N 311.135 1.106 0 40 DDAB O=C1[C@H](Nc2ncnc3[nH]cnc23)CCCN1c1ccccc1 71907741 IUGZNHHVYPKKOW-GFCCVEGCSA-N 308.345 1.960 0 40 DDAB C[C@@H]1C[C@@H]1COC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 78804370 NBJVOKZRROFRBG-NLRBGTRBSA-N 305.378 1.529 0 40 DDAB O=C(NC1CC1)[C@H](NCCN1CCOCC1)c1ccc(F)cc1 97009957 KQKDAGQIRLHBSZ-MRXNPFEDSA-N 321.396 1.067 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cnn(C(C)(C)C)c1 72275635 GMTBAEJXQHGIJD-GXTWGEPZSA-N 323.393 1.649 0 40 DDAB COCCS(=O)(=O)N(C)CC(=O)Nc1c(C)cccc1C 72273682 MXWKZDHBZWVKJJ-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB Brc1cnc(Nc2cnn(-c3ncccn3)c2)nc1 72291273 PXXQZGHZGJZMRS-UHFFFAOYSA-N 318.138 1.958 0 40 DDAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H]1CCCNC1=O 84410488 SFSZSPDMEAORBS-HUUCEWRRSA-N 321.396 1.971 0 40 DDAB C[C@H](NC(=O)N[C@H](C)CO)c1nc(Cc2ccccc2)no1 79136901 RYEVUZABZDBUJW-MNOVXSKESA-N 304.350 1.401 0 40 DDAB O=C(CN1CCCNC1=O)N[C@H]1CCCOc2cc(F)ccc21 95464537 HIIKOQIQKAHGOH-ZDUSSCGKSA-N 321.352 1.571 0 40 DDAB O=C(NCC[S@](=O)Cc1ccccc1)NC1(CO)CCCC1 95416173 XKPWVZMYQPHIIX-JOCHJYFZSA-N 324.446 1.540 0 40 DDAB O=C1[C@H](NC(=O)C2(O)CCCC2)CCCN1Cc1ccccc1 95446936 ZPOUTWZUHKAUBA-OAHLLOKOSA-N 316.401 1.599 0 40 DDAB O=C(c1ccncc1F)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95450436 ACVQSXPUCUILJL-IAQYHMDHSA-N 317.364 1.836 0 40 DDAB CCCN(CC(=O)O)C(=O)[C@H](C)OCc1cccc(OC)c1 95424621 KDVJMRFZRDNIFQ-LBPRGKRZSA-N 309.362 1.924 0 40 DDAB C[C@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCN(C)C1=O 73884447 CVVXNJJCLSDABN-DZGCQCFKSA-N 315.417 1.565 0 40 DDAB CC(C)NC(=O)N1CCN(Cc2nnc(C3CCC3)o2)CC1 95959293 HTCVUHMYQIGMSK-UHFFFAOYSA-N 307.398 1.573 0 40 DDAB O=C(CNC(=O)NC1CCC(C(F)(F)F)CC1)NCC1CC1 95994836 KGMBCTRCKTUTGD-UHFFFAOYSA-N 321.343 1.933 0 40 DDAB O=C(Cc1ccn[nH]1)N[C@@H]1CCCN(Cc2ccccc2)C1=O 95977317 ZPUJQYLGAKWDSS-OAHLLOKOSA-N 312.373 1.260 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)c2cc3ccccn3c2)n1 74593022 HPHCKWRQWTWWDE-UHFFFAOYSA-N 311.345 1.524 0 40 DDAB CNC(=O)c1cccnc1N[C@@H]1CC(=O)N(Cc2ccccc2)C1 89392093 VQVLUGVZAZNUIJ-CQSZACIVSA-N 324.384 1.654 0 40 DDAB Cc1c(C(=O)N2CCC[C@H]([C@@H](C)O)C2)nnn1-c1ccccc1 89556370 FKFVZPALGAFOKO-KGLIPLIRSA-N 314.389 1.809 0 40 DDAB CSCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O 408730164 ODRFULPSWYZYOZ-UHFFFAOYSA-N 316.448 1.240 0 40 DDAB CC(C)C[C@@H](C)OCCC(=O)N=c1ccn([C@@H]2CCNC2)[nH]1 548672956 UCPVGTWMSDLPET-ZIAGYGMSSA-N 308.426 1.619 0 40 DDAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 38752006 HXFAEUPBEYVGTH-AWEZNQCLSA-N 324.402 1.226 0 40 DDAB C[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393032 PHVDSIAXJWALSA-JSGCOSHPSA-N 305.378 1.109 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NCC2CCCC2)[C@H]1c1ccccc1 72237909 XRVUKBHLGMTVRV-SJORKVTESA-N 316.401 1.891 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(N)COC 218511795 ILLLMTZITQXMCB-XQQFMLRXSA-N 303.811 1.584 0 40 DDAB CC(=O)Nc1cccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 75770689 CZKMUVDXRNDPBX-SUMWQHHRSA-N 315.417 1.945 0 40 DDAB COc1cc2c(cc1CN1CCO[C@@H](CN)C1)OCCCO2 71762513 BYEDKBSBOOFJOI-ZDUSSCGKSA-N 308.378 1.016 0 40 DDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1c3ccccc3C[C@@H]1O)C2 225519786 DIGRAPIHZGZSEK-DQYPLSBCSA-N 311.385 1.598 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)Cc1ccc(F)cc1 75157289 GPCPEVWHQNXXCS-GFCCVEGCSA-N 307.412 1.359 0 40 DDAB NS(=O)(=O)c1cc(-c2cccc(C(=O)O)c2)cc2c1OCC2 570970563 WLCXNXJCKMSNHK-UHFFFAOYSA-N 319.338 1.634 0 40 DDAB Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)N(C)C)cc1C 225961229 BKSCGVHBZLUOGV-UHFFFAOYSA-N 313.423 1.004 0 40 DDAB CN(C)C(=O)c1cncc(-c2ccc(OC[C@@H](O)CN)cc2)c1 530250928 RPXZQPQJJJXCBO-HNNXBMFYSA-N 315.373 1.149 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCc2cc(Cl)cc(Cl)c2C1 84132853 PAQMKALUEJCAEN-SSDOTTSWSA-N 316.188 1.935 0 40 DDAB O=C(c1ccccn1)N1CCC[C@]2(C[C@H](n3ccnc3)CO2)C1 96048582 LQOHZPPQJKHWBY-YOEHRIQHSA-N 312.373 1.915 0 40 DDAB CC(C)(C)[S@@](=O)CCNC(=O)N[C@@H]1COc2ccccc21 96408806 BHLLLKRTCKKALP-XUSGNXJCSA-N 310.419 1.967 0 40 DDAB Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H]2CO)n1 97102514 ZAPFCEHQDPIBFC-ZDUSSCGKSA-N 303.337 1.917 0 40 DDAB CN1CC(=O)N(Cc2nc([C@H]3CCC(F)(F)C3)no2)C1=O 331571808 LNBRSFIOYGRNQI-ZETCQYMHSA-N 300.265 1.366 0 40 DDAB COC(=O)CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 96192914 DXEFPUGKXVVHIF-CQSZACIVSA-N 310.737 1.512 0 40 DDAB Cn1cccc1C(=O)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 96239115 HXQXKXLRLIOXAN-SFHVURJKSA-N 324.384 1.689 0 40 DDAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 96042959 BMCNZIDNCQBLTO-BHYGNILZSA-N 322.449 1.561 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053697 BOTMVMCBCFICBS-AAEUAGOBSA-N 313.382 1.878 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(Cc4ccccn4)C[C@H]3C2=O)cn1 248093669 COJKDCRZHCVKCZ-CZUORRHYSA-N 311.389 1.300 0 40 DDAB Cc1nccc([C@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1 257201000 AFSAIDOCNHCCRQ-ZDUSSCGKSA-N 314.393 1.518 0 40 DDAB Cc1ccnc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257241858 HZXLPFGASUGGGW-CQSZACIVSA-N 314.393 1.215 0 40 DDAB OC1(CN2CCC(O)(c3ccccc3F)CC2)CCOCC1 257287670 PRACTWHJNJOOMO-UHFFFAOYSA-N 309.381 1.651 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)on1 257277033 NWEUAIKIHXSOFP-LBPRGKRZSA-N 318.377 1.820 0 40 DDAB CC(C)Nc1nc(NCCO)nc(N2CCS[C@H](C)C2)n1 252506309 VYVLSPSJFORPIY-SNVBAGLBSA-N 312.443 1.038 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)Cc1c(C)noc1C 257310381 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CN(C)CC(C)(C)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 68880812 LACOFDXEKKVEAU-UHFFFAOYSA-N 320.441 1.874 0 40 DDAB CO[C@]1(CNC(=O)c2ccc3nsnc3c2)CCSC1 96097587 NKMWLYKIFVTRBU-ZDUSSCGKSA-N 309.416 1.943 0 40 DDAB Cn1c(=O)/c(=C/c2ccccc2F)s/c1=C/C(=O)C(C)(C)C 96759225 LKRUOODYCLPACD-AYMWWVTDSA-N 319.401 1.810 0 40 DDAB CCOc1ccccc1C(=O)N1CCN(C[C@H](O)C2CC2)CC1 85436601 DCVXWDCNUUSDRF-INIZCTEOSA-N 318.417 1.614 0 40 DDAB CCn1nncc1CNC(=O)N[C@H]1CCOCC12CCCC2 1548453622 AICQVLLDBCXSCU-ZDUSSCGKSA-N 307.398 1.447 0 40 DDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1 14228254 GNCUUHFYGBJDNE-UHFFFAOYSA-N 301.346 1.880 0 40 DDAB C[C@H]1C[C@@H](CCC(=O)NC(=S)Nc2nncs2)C(=O)O1 16809014 MSVFANCOFWXBST-NKWVEPMBSA-N 314.392 1.083 0 40 DDAB CC(=O)N1CCc2nnc([C@@H]3CCCN3CC(C)C)n2CC1 19710719 GYASVXDHRXFFRH-AWEZNQCLSA-N 305.426 1.476 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCN(CC(F)(F)F)C1 102942517 YEEQXGYOJJDEDW-JTQLQIEISA-N 304.316 1.322 0 40 DDAB CCN=c1nc(N2CCN(c3ncc(CC)cn3)CC2)cc[nH]1 1888860225 YNHKNWDSTJZRAB-UHFFFAOYSA-N 313.409 1.009 0 40 DDAB Cc1ccc(C)c(CN2CCO[C@@H](C(=O)N3CCOCC3)C2)c1 1889128237 RRRNSVPRDIJGBQ-QGZVFWFLSA-N 318.417 1.363 0 40 DDAB O=C1NCCN1C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 245130874 VBYQKQQPCQWCFW-CQSZACIVSA-N 321.358 1.312 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CCC2)cn1 2056225429 VZJAJTLREOTWIF-WBMJQRKESA-N 300.362 1.058 0 40 DDAB CNC(=O)C1=NO[C@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 2056225819 CJDIOSHFWBTCLI-QGZVFWFLSA-N 317.389 1.552 0 40 DDAB O=C(CCF)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565556122 XMUGIKMUMDYCIE-GXTWGEPZSA-N 312.410 1.767 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1565553502 AYZPMKMLYUSJTG-ZBFHGGJFSA-N 321.377 1.270 0 40 DDAB O=C1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1CC1CC1 1565544720 RBPNUIXFRBBAKM-UHFFFAOYSA-N 302.378 1.274 0 40 DDAB O=S(=O)(NCCc1cn2ccsc2n1)c1cccs1 4248551 BREOISZXUHJSCL-UHFFFAOYSA-N 313.429 1.978 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)C[C@@H]1c1ccc2c(c1)OCO2 6667783 RUBAGMZCOLBUHU-LLVKDONJSA-N 303.314 1.808 0 40 DDAB COc1ccc(CC(=O)Nc2nnc(-c3ccno3)o2)cc1 12234586 XURAQVXHPHNUCU-UHFFFAOYSA-N 300.274 1.914 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055771632 NQXIOJDGBOTKCB-CYBMUJFWSA-N 318.421 1.358 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055715713 DIFYQBKEVOWNMH-LBPRGKRZSA-N 304.394 1.206 0 40 DDAB CCc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1 22999053 MIBWKACLVXZCIV-UHFFFAOYSA-N 303.406 1.646 0 40 DDAB CSCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 1775967564 WSKQQKBZZVSMDL-VIFPVBQESA-N 318.345 1.134 0 40 DDAB Cc1nnsc1C(=O)NCC1CCN(c2cccnc2)CC1 225654512 IPLLNEYVZRFGEM-UHFFFAOYSA-N 317.418 1.888 0 40 DDAB CC(C)[C@H](Cn1ccnn1)NC(=O)c1cccc(N(C)C)c1 575616804 PSWLPIZPZPZVRN-HNNXBMFYSA-N 301.394 1.799 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc(Br)cn1 40208 ARUJSCMERHQQGJ-UHFFFAOYSA-N 323.106 1.585 0 40 DDAB COc1ncccc1C(=O)NC[C@@H](C)Cn1nc(C)cc1C 40541205 OEMKTKNNJBGYAW-LLVKDONJSA-N 302.378 1.970 0 40 DDAB COc1ccc(Cl)c2c1N(CCN1CCOCC1)C(=O)C2=O 20589394 CWHJOEAYXAGMCZ-UHFFFAOYSA-N 324.764 1.210 0 40 DDAB O=C1/C(=C\NCCO)c2ccccc2C(=O)N1c1ccccc1 101189112 VPJGEUDZBBRNAM-VBKFSLOCSA-N 308.337 1.796 0 40 DDAB CCN(CC)C(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 150458 SUGFUOPMTOSZFO-UHFFFAOYSA-N 320.418 1.600 0 40 DDAB CCOC(=O)N1CCN(C(=O)COc2ccccc2C)CC1 318523 YPEYMVLPNWFKET-UHFFFAOYSA-N 306.362 1.675 0 40 DDAB Cc1ccc(C)c(OCCC(=O)OCc2nc(N)nc(N)n2)c1 17535338 OERJWZQDVSYOET-UHFFFAOYSA-N 317.349 1.165 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)c2c(=O)[nH]c(=O)[nH]c2n1 20607268 HBCBDBLSKJQBLL-KWQFWETISA-N 316.361 1.228 0 40 DDAB COC(=O)NCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 1842716 UGENBJKPPGFFAT-AWEZNQCLSA-N 310.394 1.323 0 40 DDAB in-man O=c1c(NCC2CC2)c(N2CCN(c3ccccc3)CC2)c1=O 101696361 ZRDFEDUVOANFJU-UHFFFAOYSA-N 311.385 1.431 0 40 DDAB CCc1ccc(-n2nc(CO)c(C(=O)NCCCOC)n2)cc1 21173124 UERMEQXUTNJSIQ-UHFFFAOYSA-N 318.377 1.088 0 40 DDAB COc1cccc(NC(=O)CSc2nnc(C3CC3)n2N)c1 3484359 UQAVDCKWJHTULE-UHFFFAOYSA-N 319.390 1.609 0 40 DDAB CN(C)C(=O)C(C)(C)NS(=O)(=O)c1cc(F)ccc1Cl 69703587 CKKGIVRIFYESTM-UHFFFAOYSA-N 322.789 1.624 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CCCCC1=O 4251247 SSVRNIXGKNADPL-CQSZACIVSA-N 314.341 1.911 0 40 DDAB CN1CCN(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 6126040 NGZYHCNDRKCBPL-UHFFFAOYSA-N 309.238 1.274 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)c1 91294152 IHURVVHOAWFZMH-LBPRGKRZSA-N 313.375 1.168 0 40 DDAB CCOC(=O)/C=C/C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2696440 LENCPSRBOOTWPH-BQYQJAHWSA-N 322.386 1.784 0 40 DDAB CCn1cc(CN2CCCN(C(=O)c3cscn3)CC2)cn1 69773835 GQSNJMVECQMZRG-UHFFFAOYSA-N 319.434 1.708 0 40 DDAB CC(=O)O[C@@H]1CCN2C(=O)C=C[C@@H](OCc3ccccc3)[C@H]12 8653392 UDKKAMHHDCVXRP-BFYDXBDKSA-N 301.342 1.674 0 40 DDAB O=C(CNc1ccccc1OC(F)(F)F)NC(=O)NC1CC1 22356383 ATUUFIJUUXDKPU-UHFFFAOYSA-N 317.267 1.985 0 40 DDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F 9995168 BHIARJBKVKPWLZ-VIFPVBQESA-N 316.279 1.939 0 40 DDAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COC 23043411 HDVIFEZLYLRUTD-UHFFFAOYSA-N 323.780 1.962 0 40 DDAB CC(C)OC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 958774 BNFPTXGYVLUWDW-SECBINFHSA-N 321.402 1.929 0 40 DDAB Cc1c([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cnn1C 47491480 UAUJAOJNQKFYGZ-JTQLQIEISA-N 301.346 1.991 0 40 DDAB CC[C@@H]1CN(Cc2cn3ccccc3n2)CCN1C[C@H](C)O 106906694 DDOKKJJBJLGXJR-GOEBONIOSA-N 302.422 1.611 0 40 DDAB CCc1ncncc1C(=O)NCCN1C(=O)c2ccccc2C1=O 56172545 KSJAYXYIOUFAQH-UHFFFAOYSA-N 324.340 1.065 0 40 DDAB O=C(c1cccnc1Cl)N1CCN(c2cnccn2)CC1 25832555 IPEULSYJKWNTHA-UHFFFAOYSA-N 303.753 1.487 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N1CCN(CCO)CC1 35107018 ARKHZFSHSPMIPS-UHFFFAOYSA-N 300.761 1.158 0 40 DDAB O=C1CCCN1[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCCO[C@H]12 107204015 SHJVIGKZLVUGJC-JMSVASOKSA-N 320.414 1.743 0 40 DDAB O=C(NCCN1CCOCC1)[C@H](c1ccccc1)N1CCCC1 57893440 XEQHZIZXGSHTHG-KRWDZBQOSA-N 317.433 1.272 0 40 DDAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 44872555 RGLFPMJUMHXLCE-DTWKUNHWSA-N 314.432 1.641 0 40 DDAB COc1ccc(COCC(=O)N2CCC[C@H]2C(=O)N(C)C)cc1 44952625 OHVXIUGZLHQFFY-HNNXBMFYSA-N 320.389 1.291 0 40 DDAB NC(=O)Cn1cc(NC(=O)/C=C/c2c(F)cccc2F)cn1 58311945 WCFYDXUNANKFMQ-SNAWJCMRSA-N 306.272 1.299 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN1CCCC1 58427301 NEAXLGRYIPQCCM-UHFFFAOYSA-N 324.446 1.614 0 40 DDAB CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CCC[C@@H]32)C1=O 2239082 QPKKKPADWLPCOF-CYBMUJFWSA-N 313.357 1.248 0 40 DDAB COc1ccccc1[C@@H](C)N(C)C(=O)CCN1C(=O)CCC1=O 45249966 XBPKJKMXFHIDCP-GFCCVEGCSA-N 318.373 1.754 0 40 DDAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(O)nn2)cc1 45581403 DUJCTGQBQYCXKB-UHFFFAOYSA-N 314.389 1.954 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)on1 45683057 NVLXBTMFDFKNKS-HIFRSBDPSA-N 322.409 1.378 0 40 DDAB Cc1ccc(CN(C)C(=O)CN[C@H](C)[C@@H](C)n2cccn2)o1 70040839 UNGZLVATBBVKTB-ZIAGYGMSSA-N 304.394 1.982 0 40 DDAB Cc1ccc(-n2nc(CO)c(C(=O)NCc3cccnc3)n2)cc1 8613395 WTJKZONXGYUEKP-UHFFFAOYSA-N 323.356 1.393 0 40 DDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccco2)c1 48235643 PLBJRGLVZSOELN-LLVKDONJSA-N 322.386 1.987 0 40 DDAB COc1cccc(CNC(=O)CN[C@H](C)Cn2cccn2)c1 69378917 LZHBDGYXFIJOOH-CYBMUJFWSA-N 302.378 1.186 0 40 DDAB CN(Cc1nccn1C)S(=O)(=O)c1cccc(F)c1F 69348650 JPWJIPAPKGEHIW-UHFFFAOYSA-N 301.318 1.519 0 40 DDAB Cc1cc(N2CCO[C@H](Cn3nc(C)cc3C)C2)nc(N)n1 69349897 GOOBLFWFCHWOKH-ZDUSSCGKSA-N 302.382 1.086 0 40 DDAB C[C@H](c1ccccc1)N(C)CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12997124 SGOFKAQHBYNERX-CJNGLKHVSA-N 324.446 1.373 0 40 DDAB CCc1ccc([C@@H](CNc2ccc3nnnn3n2)N(C)C)cc1 9050169 OQRJJDKLTGDZFM-CQSZACIVSA-N 311.393 1.797 0 40 DDAB NC(=O)[C@@H]1C[C@H](Cc2ccccc2)N[C@]12C(=O)Nc1ccccc12 49543718 CSEPEFGIDFCTIP-RFUYNDQBSA-N 321.380 1.540 0 40 DDAB biogenic O=C(Nc1nnc(-c2ccccn2)s1)N1CCS(=O)CC1 69594741 QZZBODGJQHNIIV-UHFFFAOYSA-N 323.403 1.196 0 40 DDAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2C1 69894340 SSGPHMLFEVGXGR-CQSZACIVSA-N 313.401 1.476 0 40 DDAB NC(=O)C1CCN(CCCNCc2ccc(F)cc2F)CC1 65516977 ARJAMQKLTKUTOI-UHFFFAOYSA-N 311.376 1.642 0 40 DDAB CN(CCOc1cccc(Cl)c1)Cc1nc(N)nc(N)n1 14167916 ZRHYLPXWZXTJSN-UHFFFAOYSA-N 308.773 1.200 0 40 DDAB CCN1CCC[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)C1 65624500 GOLDSPPYARHCHF-OAHLLOKOSA-N 317.437 1.294 0 40 DDAB CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cccn2)CCO1 65612408 VMMKGTJUGUKZBM-CQSZACIVSA-N 315.377 1.588 0 40 DDAB CNC(=O)[C@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1Cl 69974466 LBLBMDNZWJPKPU-ZETCQYMHSA-N 312.757 1.554 0 40 DDAB CCOc1ccccc1OCC(=O)N[C@](C)(CC(C)C)C(N)=O 69925330 NVPQBHKVKHNGOO-QGZVFWFLSA-N 322.405 1.870 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)Cn1ccccc1=O)OCO2 7985138 YRWMFUANAKURFR-UHFFFAOYSA-N 314.297 1.418 0 40 DDAB COCc1nc([C@@H]2CCCCCN2C(=O)N2CCOCC2)no1 96000623 KYCCWEZWAYZWBX-LBPRGKRZSA-N 324.381 1.585 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 71796819 QASDDNLOWPXFSV-FZMZJTMJSA-N 302.378 1.095 0 40 DDAB COc1ccccc1C[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1 71819721 KLZYFBMVGNPKBL-GFCCVEGCSA-N 319.405 1.533 0 40 DDAB O=C([C@H]1CCOC1)N1CCN(Cc2ccc(Cl)cn2)CC1 96502380 HTVASWSIKWFGKC-LBPRGKRZSA-N 309.797 1.416 0 40 DDAB Cc1nnc([C@@H](C)OC(=O)c2ccccc2Cn2cncn2)o1 76090367 NOADHCFPHZEABC-SNVBAGLBSA-N 313.317 1.936 0 40 DDAB O=C(Nc1cc[nH]n1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 72035894 UHZCMTUPUTUAMM-CQSZACIVSA-N 312.373 1.830 0 40 DDAB CCc1csc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 72282186 DUFHTKIRJVSFCK-SNVBAGLBSA-N 306.395 1.098 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCC(F)(F)F)C1 84281169 CLCZNYXKGGUUQX-LLVKDONJSA-N 320.315 1.753 0 40 DDAB COC(=O)c1cccnc1N1CCC(c2cnn(C)c2)CC1 97140679 GXJPGZFJJUIYPQ-UHFFFAOYSA-N 300.362 1.986 0 40 DDAB Cc1cccc(OCCNC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1 25412885 WGIAQNKAXIMXRP-XHSDSOJGSA-N 320.433 1.988 0 40 DDAB CCc1cnc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 72300777 IDVPCUJGBZBGSF-MEBBXXQBSA-N 306.366 1.047 0 40 DDAB CCOc1cccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 78788410 KNIHIRWNRSKGEV-IAGOWNOFSA-N 318.417 1.757 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3cnn(C)c3)C2)no1 78771311 MOAGHXGKDHCLBF-CQSZACIVSA-N 304.398 1.208 0 40 DDAB O=C1NCCN(C(=O)[C@H]2CCOC2)[C@@H]1c1ccccc1Cl 97372156 UEXRIRDTHPNEEP-GXFFZTMASA-N 308.765 1.376 0 40 DDAB CC[C@@H]1CC[C@H](C)N1C(=O)Cn1nnc2ccccc2c1=O 95458853 IVZZCTSJUUQTNI-NWDGAFQWSA-N 300.362 1.581 0 40 DDAB Cc1cc(N)n(-c2cc(N[C@H](C)c3cn(C)nc3C)ncn2)n1 98013299 NFOUQYWDIUDVAD-SNVBAGLBSA-N 312.381 1.768 0 40 DDAB CCCC[C@@H](CN)NS(=O)(=O)c1cnc2onc(C)c2c1 95972674 BHGQYKIUBOFDJV-JTQLQIEISA-N 312.395 1.327 0 40 DDAB CNS(=O)(=O)c1cccc([C@H](C)NCCn2cccn2)c1 89514719 BTBDRNIRWYXVTO-LBPRGKRZSA-N 308.407 1.142 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CC[C@H](CC(=O)O)C3)cc12 89711587 CJHOFJJNLHVEOI-SECBINFHSA-N 307.375 1.880 0 40 DDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC3)ccc21 20487249 XAZNVQKCJNZJJU-UHFFFAOYSA-N 308.403 1.725 0 40 DDAB CC(C)(C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 66351915 DDVGELOVMNYTHH-UHFFFAOYSA-N 300.399 1.881 0 40 DDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCC2(CC1)CNC2 1548564523 CRUCDUMUUPKVGM-UHFFFAOYSA-N 310.401 1.627 0 40 DDAB O=C(NCCCn1ccnc1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35897833 YQFSMMHEUONBBL-RFGFWPKPSA-N 303.362 1.302 0 40 DDAB CN(C)C(=O)c1cc(NC(=O)c2ncoc2C2CC2)ccn1 556184300 SMNRYHZYLLKCCT-UHFFFAOYSA-N 300.318 1.901 0 40 DDAB Cc1nc(CCC(=O)NC2CCC2)cc([C@@H]2CCCNC2)n1 72366492 DNJFRBPJOGBVFF-CYBMUJFWSA-N 302.422 1.853 0 40 DDAB CCN(CCc1nccs1)C(=O)C(=O)Nc1cc(C)nn1C 124944738 ZTXLSRSIOJLHQU-UHFFFAOYSA-N 321.406 1.215 0 40 DDAB CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2CC(F)(F)F 35655630 OIUBAEFUGMVZNH-UHFFFAOYSA-N 303.240 1.772 0 40 DDAB CCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217541159 JUBJIQTWRQFWME-SECBINFHSA-N 316.379 1.130 0 40 DDAB O=C1O[C@H]2C[C@@H]1N(C(=O)CSc1nc3ccccc3s1)C2 75162207 WAJVHPLTTKEGSS-WPRPVWTQSA-N 320.395 1.915 0 40 DDAB NC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CC12CCOCC2 566213260 YSEPTTKUOLPPNP-LLVKDONJSA-N 309.797 1.563 0 40 DDAB CCn1nccc1C1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC1 566540084 FBSYEEKYJWISJX-WHEQGISXSA-N 324.450 1.313 0 40 DDAB CNC(=S)Nc1nc(OC)cc(N2Cc3ccccc3C2)n1 225877932 FRBNKMYJTDIYFO-UHFFFAOYSA-N 315.402 1.922 0 40 DDAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1C 223570838 HCFLUFHVPMAMGY-GJZGRUSLSA-N 316.430 1.693 0 40 DDAB COC(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1 48512782 SYIQYBZRSZSZOY-UHFFFAOYSA-N 308.334 1.936 0 40 DDAB COC(=O)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 223809691 LUDIKGXXIOCLCX-VIFPVBQESA-N 310.331 1.289 0 40 DDAB CN1CC[C@H](NC(=O)c2ccc(F)c(COCC3CC3)c2)C1=O 80403015 CRFNFZAWCBAKBE-HNNXBMFYSA-N 320.364 1.713 0 40 DDAB Cc1ncccc1CN1CCC(N2CCS(=O)(=O)CC2)CC1 191940260 IYBWUDBTXPQTFN-UHFFFAOYSA-N 323.462 1.085 0 40 DDAB C[C@@H](NCCOc1cccnc1)c1ccc(-n2cnnn2)cc1 96477699 OJUCYPXWALITMI-CYBMUJFWSA-N 310.361 1.787 0 40 DDAB CCO[C@H]1C[C@@H](N(C)CCCS(=O)(=O)NC)C12CCCC2 96419678 ABPOWBMQNCFIDI-KGLIPLIRSA-N 318.483 1.595 0 40 DDAB C[C@H]1CC[C@H](CO)CN1C/C=C/CN1C[C@H](CO)CC[C@@H]1C 95443133 ILXKADWHYPCQNI-QAOFUZHOSA-N 310.482 1.728 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)Nc1cccc(F)c1 96081231 MRCIYCQHYTUKFG-ZIAGYGMSSA-N 321.352 1.679 0 40 DDAB CC(=O)N1CCOC[C@@H]1c1nccc(NCc2cccnc2)n1 96217561 LEZRVOWRUDPVBD-CQSZACIVSA-N 313.361 1.404 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccco2)C1 96227192 OZIFHBOHZOJGOP-BBRMVZONSA-N 305.378 1.726 0 40 DDAB CCSCC[C@H](C)NC(=O)NC[C@H]1CN(C)CCN1C 96440130 PLZVLVSBQASPSP-STQMWFEESA-N 302.488 1.063 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@@H]21 96043408 FTCDWHBDRPLENQ-RBSFLKMASA-N 316.405 1.234 0 40 DDAB COCC(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 96160135 ULWMJMOEVOLWJV-WMLDXEAASA-N 320.389 1.505 0 40 DDAB CCN1CCNC(=O)C12CCN(Cc1cccc(F)c1)CC2 96230166 MLOGVBDXHNGSGN-UHFFFAOYSA-N 305.397 1.612 0 40 DDAB Cc1ccncc1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 607821973 ZAYRZIWTZOVKCR-OAHLLOKOSA-N 317.389 1.244 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(C(=O)CCC(=O)O)CCO2)c1 257231704 GHWXSESCGKGRPE-ZDUSSCGKSA-N 307.350 1.196 0 40 DDAB CO[C@H]1CN(Cc2ccc(OCCO)cc2)C[C@@]12CCCO2 257217703 DAFVGXQWJUNONM-IRXDYDNUSA-N 307.390 1.438 0 40 DDAB CNC(=O)c1sc2nc([C@]3(C)CCCNC3)ccc2c1N 257219861 DINFLMCDHXXHBC-OAHLLOKOSA-N 304.419 1.879 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3n[nH]cc3C)C2)n1 257227118 FNTNMWGGMWGLCS-CQSZACIVSA-N 301.394 1.938 0 40 DDAB O=C(Cc1ccsc1)N1CCO[C@@H](CCc2ccncn2)C1 257305086 SOJVQISTRUBRDY-HNNXBMFYSA-N 317.414 1.941 0 40 DDAB O=C(NCCn1nc([C@H]2CCCNC2)c2cccnc21)C1CC1 257315824 VCXJBSUMXIPCMK-ZDUSSCGKSA-N 313.405 1.425 0 40 DDAB Cn1cc(C(=O)N2CCC(Cc3ccncc3)CC2)ccc1=O 257255018 KFUAMUHALNFSGG-UHFFFAOYSA-N 311.385 1.875 0 40 DDAB Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)c2sccn12 257247043 IXDCYNKGFIAMMS-SNVBAGLBSA-N 314.436 1.300 0 40 DDAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)CN)n1 257249643 JJFAHEJCVOCVFT-ZDUSSCGKSA-N 301.350 1.371 0 40 DDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 298249148 ZMNAGKRRZHIAIE-NSHDSACASA-N 314.407 1.230 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCCC2)C1 575406573 YLMXNLOACYBIEK-CQSZACIVSA-N 304.394 1.625 0 40 DDAB O=C(c1cnccn1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099238 XVUPGCSACPCMFX-CQSZACIVSA-N 313.361 1.124 0 40 DDAB COCc1nnc2n1CCN(C(=O)C1=CCCCC1)[C@H](C)C2 585097558 LRRFFCCXYPHGOY-GFCCVEGCSA-N 304.394 1.698 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCCN(c3cnccn3)C2)C1 585101194 MWHIIHVBBSKEHS-INIZCTEOSA-N 317.393 1.459 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cn1 42949130 CHXOAEUGKIXVLW-UHFFFAOYSA-N 320.393 1.276 0 40 DDAB C[C@H](COc1cccc(F)c1)NC(=O)CN1CSCC1=O 58160336 UHPIMLISOHOZBL-SNVBAGLBSA-N 312.366 1.242 0 40 DDAB Cc1ncsc1C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 69772477 OBJTYKRGBHDWPS-SECBINFHSA-N 313.448 1.881 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 70038199 XMZGLNKRKVHYTF-UONOGXRCSA-N 322.434 1.104 0 40 DDAB Cc1ncc2c(n1)CCC[C@@H]2Nc1nnc(Cl)cc1C(N)=O 95406097 PHAIPEWVEILYGO-NSHDSACASA-N 318.768 1.817 0 40 DDAB NC(=O)OCCNC(=O)c1cccc(Br)c1Cl 97079812 XYFWSCVUBBBBHY-UHFFFAOYSA-N 321.558 1.928 0 40 DDAB O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)NCCc1ccccc1 14607358 MQKUHIPEHCLZFL-JYJNAYRXSA-N 315.417 1.135 0 40 DDAB CC(C)c1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(CO)o2)n1 15674742 XLYOULHDKKQGCS-MFKMUULPSA-N 307.350 1.586 0 40 DDAB biogenic,in-vitro C[C@H]1CN(Cn2nc3c4ccccc4ncn3c2=O)C[C@H](C)O1 19497570 IMOBZTXCAFETJW-RYUDHWBXSA-N 313.361 1.111 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)N2CCOc3ccccc32)c1 30581817 JHRNSSLCEKQNNW-UHFFFAOYSA-N 319.338 1.973 0 40 DDAB Cc1c(C(=O)N2CCN(CCO)CC2)sc2ccccc12 35117553 VTHAWEWFCSRCDF-UHFFFAOYSA-N 304.415 1.960 0 40 DDAB Cc1cc(C(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)n(C)n1 2056224610 ZEINOZVEELTBJF-ZDUSSCGKSA-N 320.462 1.428 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cnn2ccccc12 1614935643 QLXSOZJEYDHUTH-RRFJBIMHSA-N 301.346 1.353 0 40 DDAB O=C(N1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1)C1(F)CC1 1565545537 IDXSEIAKDZMEGK-ZFWWWQNUSA-N 323.368 1.019 0 40 DDAB COc1cccc2c(=O)n(CC(=O)NCc3ccco3)ccc12 2712194 LAVRWSIPQAJMHA-UHFFFAOYSA-N 312.325 1.920 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)C1CCOCC1)CC2 2055730269 SOGDEJBGSUSHDB-LBPRGKRZSA-N 307.394 1.136 0 40 DDAB O=C(CN1CCC[C@H](NC(=O)C2CC2)C1)NC1CCCCC1 1006519915 HEZGXMQGEPFCDJ-HNNXBMFYSA-N 307.438 1.426 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 50443943 DESVERXDYFTKMX-LBPRGKRZSA-N 324.384 1.761 0 40 DDAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100540147 QGKIVHLGDKAKBZ-RVMXOQNASA-N 307.733 1.610 0 40 DDAB COc1ncccc1C(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 40512372 NIGTULBFNLBDGC-AVGNSLFASA-N 307.394 1.318 0 40 DDAB CCc1noc(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1 40511254 IDWVAJCDDDQXLU-LLVKDONJSA-N 319.361 1.698 0 40 DDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cnn(-c2ccccc2)n1 40534872 GIKQKSSFUSXXML-GOEBONIOSA-N 311.389 1.624 0 40 DDAB O=C(O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 486214 DFHGBKJKGOWVKZ-VHSXEESVSA-N 324.427 1.370 0 40 DDAB biogenic COc1cc2c(cc1OC)C(=O)[C@H](Sc1nncn1C)C2 32105477 QHVQXVVFLDZZOU-GFCCVEGCSA-N 305.359 1.732 0 40 DDAB N[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 1719793 KGXGNCWRTGFTGA-CVEARBPZSA-N 301.298 1.877 0 40 DDAB COc1cccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c1 101489986 PJGAEQYTRLOXLM-AYMWWVTDSA-N 317.410 1.670 0 40 DDAB CC1CCN(Cc2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)CC1 102152175 YLZYUUJHRKMMOY-UHFFFAOYSA-N 315.299 1.668 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 41129692 GWNBFCCWIGCGDA-QMMMGPOBSA-N 300.717 1.192 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680490 UAASTWBGSRBXKV-UHFFFAOYSA-N 302.421 1.672 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1c[nH]c2ccccc12 7508838 UVWUHQBNFOYOHE-UHFFFAOYSA-N 303.318 1.561 0 40 DDAB CCOC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 7787088 JJGDYCSDMXXWJS-CQSZACIVSA-N 310.737 1.670 0 40 DDAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2 32816585 BXRRWMADXUFSPK-UHFFFAOYSA-N 322.324 1.926 0 40 DDAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)O)CC2)cc1 8327645 SZZDBEQCVGOJMM-UHFFFAOYSA-N 306.318 1.802 0 40 DDAB Cc1ccnc2nc(C(=O)OCC(=O)c3ccc(F)cc3)nn12 8390661 DYQOYRFHCOFXLT-UHFFFAOYSA-N 314.276 1.612 0 40 DDAB CCOC(=O)N1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 8770950 IZFUITOVBVQKTN-UHFFFAOYSA-N 308.382 1.260 0 40 DDAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 54226058 XFEVZUCYLKSXKN-BBRMVZONSA-N 311.385 1.940 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCOC[C@H]1C 55298346 LLZDZCHBNZLVAK-SECBINFHSA-N 304.375 1.769 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 106586106 QRUCKJYUGPMESG-YDHLFZDLSA-N 304.390 1.704 0 40 DDAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cnc(C)cn3)cc12 25012824 KQMDLSRXNWFVHC-UHFFFAOYSA-N 311.301 1.700 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)N(C)C1CC1 57710158 LTCGHINFBIDCDH-JSGCOSHPSA-N 307.438 1.234 0 40 DDAB COc1ccc(CCNC(=O)C(=O)N2CCCCC2)cc1OC 3168433 SFDYIHYOIGMIDN-UHFFFAOYSA-N 320.389 1.375 0 40 DDAB biogenic COc1ccccc1[C@H](NC(=O)[C@H]1CCCO1)c1nccn1C 44890354 BNHKDBRGAAABOQ-CABCVRRESA-N 315.373 1.813 0 40 DDAB O=C(CCNc1ncccn1)NCc1ncc(-c2ccccc2)[nH]1 58281249 LNNBQXZPFUEJIQ-UHFFFAOYSA-N 322.372 1.985 0 40 DDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccccn1 44971509 SVMPTMHYNOHDQL-HNNXBMFYSA-N 322.434 1.411 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1C 175716800 PMKZHDHDMGPCMN-UHFFFAOYSA-N 304.799 1.868 0 40 DDAB COc1ccc(-n2nnnc2SCC(=O)NCC(C)C)cc1 3266910 AWIKMAWKWDAGJT-UHFFFAOYSA-N 321.406 1.535 0 40 DDAB CSCC[C@H](NC(=O)NCCc1ccc(F)cc1)C(=O)O 2345787 SNBKAWLHUFXNFL-LBPRGKRZSA-N 314.382 1.874 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@H](C)O[C@@H](C)C1 28655708 XDMQFOIKLCOPRH-IUCAKERBSA-N 305.334 1.084 0 40 DDAB COc1ccc(C(=O)CSc2nnc(C3CC3)n2N)cc1 3291283 YFYGMUHAUDGPKW-UHFFFAOYSA-N 304.375 1.853 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2ccccc21 45654771 AKFWYOVDSKCGQF-SMDDNHRTSA-N 308.403 1.408 0 40 DDAB C[C@H]1CO[C@H](C)CN1CC(=O)N1CCC(c2ccccc2)=N1 28984384 KKRSSXSSISFXRU-UONOGXRCSA-N 301.390 1.732 0 40 DDAB CN(C)C(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 48030288 XIVLRFFDHWZMCG-ZDUSSCGKSA-N 304.394 1.134 0 40 DDAB C[C@H](O)CNc1nc2ccccc2n1CCCn1cncn1 48343074 UAXUXSHQCDPLTR-LBPRGKRZSA-N 300.366 1.511 0 40 DDAB Cc1cccnc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 48345776 GBLZAZSHYHBLAR-UHFFFAOYSA-N 316.361 1.583 0 40 DDAB CC(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCOCC1 48333538 ZJVGCQGUUZLKQF-WBVHZDCISA-N 318.417 1.463 0 40 DDAB Cc1ccc(OC[C@@H](O)Cn2nnc3ccccc3c2=O)cc1 12896378 XSFXWLBVYNPNIO-ZDUSSCGKSA-N 311.341 1.540 0 40 DDAB Cc1nc2ccccc2c(=O)n1CC/C(O)=N/S(C)(=O)=O 48487107 YHNGKDOAHPBUBX-UHFFFAOYSA-N 309.347 1.011 0 40 DDAB C[C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@@H](C)O1 13063415 PLTOGLAOCJDKGK-TXEJJXNPSA-N 301.346 1.032 0 40 DDAB O=S(=O)(CCn1cccn1)c1ccc(C(F)(F)F)cn1 63546035 DMTIMPCIAYJLLZ-UHFFFAOYSA-N 305.281 1.771 0 40 DDAB COc1cc(C(=O)OCC(=O)NC(N)=O)ccc1OCC(C)C 4333385 WUVBVGMJIMPQCS-UHFFFAOYSA-N 324.333 1.082 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)C1 69950736 MSZHCZLHZRPBHY-HZPDHXFCSA-N 318.421 1.441 0 40 DDAB O=C1C[C@H](C(=O)N2CCC[C@H](n3ccnc3)C2)CN1CC1CC1 69917394 LXSJQYAYQGDMTO-GJZGRUSLSA-N 316.405 1.305 0 40 DDAB CCCNC(=O)CCC(=O)NCCc1ccc(OC)c(OC)c1 4590145 LEWJWDLHQURVBD-UHFFFAOYSA-N 322.405 1.669 0 40 DDAB Cc1cccc(NC(=O)CN(C)Cc2nc(C(C)C)no2)n1 65609119 JRUJWGGSBYGJLI-UHFFFAOYSA-N 303.366 1.967 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N(C)C)C1 65608153 WHTZUAXRFIDPAE-ZIAGYGMSSA-N 322.409 1.192 0 40 DDAB CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 14245449 VNKCRRPEKPXWTB-SSDOTTSWSA-N 312.786 1.861 0 40 DDAB O=C(Cn1cnnn1)NCCOc1ccccc1-c1ccccc1 66028888 ZRSMYWWCPMFCGD-UHFFFAOYSA-N 323.356 1.535 0 40 DDAB Cn1ccnc1SCC(=O)N1CCN(c2ccccn2)CC1 18217988 NOEKNIVQXJTKQG-UHFFFAOYSA-N 317.418 1.256 0 40 DDAB CCOc1ccc(CN(CC)CC(=O)NC(N)=O)cc1OC 14898158 ZBCUCSULWFHFLW-UHFFFAOYSA-N 309.366 1.111 0 40 DDAB C[C@H]1CN(C2CCN([C@H](C(N)=O)c3ccccc3)CC2)CCO1 66562125 MVERJEFYGOHYMJ-YOEHRIQHSA-N 317.433 1.398 0 40 DDAB CN(C)C(=O)CNC(=O)Nc1ccc(Cn2cccn2)cc1 69201120 QDNSEAHMGPRAJC-UHFFFAOYSA-N 301.350 1.141 0 40 DDAB COCCc1noc(CN2CCC[C@H]2Cn2nc(C)nc2C)n1 71186404 IFDGDNSIJYPUPW-ZDUSSCGKSA-N 320.397 1.131 0 40 DDAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 16222750 UKURLWBPMHNZHH-ONGXEEELSA-N 317.794 1.411 0 40 DDAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C)CC2)cc1 7980995 XZZUHALQBHZXOF-UHFFFAOYSA-N 324.446 1.922 0 40 DDAB Cc1ncc(CN(C)CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)s1 69153696 JYOUAPKSPIBAFI-UHFFFAOYSA-N 316.386 1.936 0 40 DDAB Nc1nc(N)nc(COc2ccc(F)cc2Br)n1 8222240 DZSLAYIXBUUXQN-UHFFFAOYSA-N 314.118 1.517 0 40 DDAB CC1(C)NC(=O)N(CCC(=O)NCCc2ccc(F)cc2)C1=O 9594300 KADJUINQYSPNKC-UHFFFAOYSA-N 321.352 1.205 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccccn2)CC1 71892849 PNEVNIMDQGMTLV-QGZVFWFLSA-N 310.401 1.426 0 40 DDAB CC[C@@H]1CN(C(=O)CNc2ccn(-c3ccccc3)n2)CCO1 71830885 VZGWXPIHYAGIIV-OAHLLOKOSA-N 314.389 1.922 0 40 DDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CC(N)=O)C1CCCC1 71821118 OOXBWWRVIZLMFU-BQYQJAHWSA-N 324.812 1.652 0 40 DDAB COCCNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 71909612 YBHHULRUGROJPR-CYBMUJFWSA-N 309.341 1.267 0 40 DDAB O=C1CC[C@@H](CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)N1 87354505 DCQPQXNKZSOHKO-NSHDSACASA-N 318.764 1.739 0 40 DDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC(C(=O)O)CC3)c2n1 72277070 DROUKILIBIXYFZ-UHFFFAOYSA-N 316.361 1.591 0 40 DDAB Cc1noc([C@@H]2COCCN2CC(=O)N2CCC(C)CC2)n1 97109121 OQFCZHYRSQDUDM-ZDUSSCGKSA-N 308.382 1.010 0 40 DDAB Cn1cc(Br)cc1C(=O)NCc1nncn1C1CC1 72302865 SURASBWQIPATBE-UHFFFAOYSA-N 324.182 1.644 0 40 DDAB C[C@@H]1C[C@@H](N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C(=O)O1 75929113 YRJZJZQOXRKJJQ-KXUCPTDWSA-N 308.300 1.081 0 40 DDAB CCc1cc(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)on1 76094039 WZAXRNCTWXXOCO-LBPRGKRZSA-N 317.393 1.745 0 40 DDAB COc1cc([C@@H](C)NC(=O)c2cc[nH]n2)ccc1OCCO 84651508 XJZMOCJYXMDORE-SNVBAGLBSA-N 305.334 1.280 0 40 DDAB O=C(NCCCn1cccn1)Nc1ccc2c(c1)C(=O)NCC2 95398202 NOGUNYPUIFNIJN-UHFFFAOYSA-N 313.361 1.381 0 40 DDAB COc1ccc(NS(=O)(=O)N(C)C)c(Br)c1 95401774 SGGZMTLQLINPQR-UHFFFAOYSA-N 309.185 1.676 0 40 DDAB O=C(Cc1cccnc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95450426 HSFJKSZNDXKQFD-GDBMZVCRSA-N 313.401 1.626 0 40 DDAB CC(=O)N[C@@H]1CCCN(CC(=O)N(C)C2CCC(C)CC2)C1 95951776 SREJLYYVYXAIGI-OGVSOVDVSA-N 309.454 1.624 0 40 DDAB CC[C@H](N[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 95969096 CZTJTLQJGCBVLH-BBRMVZONSA-N 308.397 1.984 0 40 DDAB CCNC(=O)c1ccc(N[C@@H]2CCN(CC3CCCC3)C2)nn1 95990002 MYIFUZQBNXJRMD-CQSZACIVSA-N 317.437 1.903 0 40 DDAB O=C(NCCN1C(=O)CCC1=O)c1cccc(Cl)c1Cl 78703380 DFLSHIGLMDQPRY-UHFFFAOYSA-N 315.156 1.872 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)c1ccc(N2CCCC2)nc1 78976332 SZCMOWFQTTUWHZ-UHFFFAOYSA-N 312.373 1.941 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C(=O)Cc1ccccc1F)C1CC1 79094049 IWBXJDLSOJFAEX-NSHDSACASA-N 313.394 1.792 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)CC(C)C 75121566 HYUGWERBMQWDPW-UHFFFAOYSA-N 314.389 1.797 0 40 DDAB O=C1CNC(=O)N1CCSCc1cccc2c1OCCO2 89774315 CSUWLSQSWRCQQA-UHFFFAOYSA-N 308.359 1.243 0 40 DDAB Cc1ccc(F)cc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 20017080 PSBYWYAVNYFBFK-NSHDSACASA-N 314.382 1.744 0 40 DDAB CN(C)C(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 35315863 WOSRTHJNZHQRDA-UHFFFAOYSA-N 319.386 1.262 0 40 DDAB O=S(=O)(CCC1CC1)NCc1n[nH]cc1Br 536553157 ICFAIGDHJDADMN-UHFFFAOYSA-N 308.201 1.392 0 40 DDAB Cc1ccsc1[C@H](O)CNC(=O)C(=O)NCc1cccs1 70635786 LFHPMYQCMQTFTD-LLVKDONJSA-N 324.427 1.584 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)NCCSc1ccccc1F 79098653 SQDFVOXJHBKDAY-LLVKDONJSA-N 323.397 1.897 0 40 DDAB CC(C)(C)OC(=O)N(C[C@H]1CCCCN1C(=O)CN)C1CC1 79409392 PTSPDCKVUZEZOX-CYBMUJFWSA-N 311.426 1.726 0 40 DDAB C[C@@H](Oc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)O 218788366 ZLQYSCSMMNNWIO-SNVBAGLBSA-N 302.330 1.975 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N2CCOC23CCNCC3)c(C)c1 34936206 XCEMVCISFAEQMB-UHFFFAOYSA-N 324.446 1.712 0 40 DDAB COC[C@H](O)CN1CCN(Cc2cccc3ccccc23)CC1 72403482 FKRIKVFBFXTGQQ-GOSISDBHSA-N 314.429 1.965 0 40 DDAB Cc1nn(C)c(C)c1-c1nn2c(-c3cnn(C)c3)nnc2s1 79480953 ALPIKAAOAJWLPH-UHFFFAOYSA-N 314.378 1.604 0 40 DDAB Cn1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cnc1O 521396308 KOVOTPWYZMZEJL-UHFFFAOYSA-N 324.381 1.255 0 40 DDAB O=C(c1cnc2sccn2c1=O)N1CCOc2ccccc21 223035026 FMWUUDKBAJKYGJ-UHFFFAOYSA-N 313.338 1.795 0 40 DDAB O=C1CN(C(=O)c2ccc(Oc3nccs3)cc2)CCN1 225637569 NCCDQARMLKKOIP-UHFFFAOYSA-N 303.343 1.507 0 40 DDAB Cc1cc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c(C)o1 43979498 CXHBLXPJUHEUSZ-UHFFFAOYSA-N 314.407 1.298 0 40 DDAB C[C@@H](NC(=O)c1cc(NC(=O)C2CC2)n(C)n1)c1ccncc1 46089097 JYGNAMJWXJYAFP-SNVBAGLBSA-N 313.361 1.655 0 40 DDAB C[C@@H](C[S@@](C)=O)NC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 574354810 BKKVJKSNIUZWFG-DKTYOWNSSA-N 314.451 1.136 0 40 DDAB O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)c1ccccc1C(F)(F)F 85468819 BQKKJMMHRFRISF-KBVBSXBZSA-N 303.280 1.567 0 40 DDAB COC(=O)[C@H](c1ccccc1F)N1CCN(CC(F)F)CC1 195531716 ZPQLOFLGGMRULA-AWEZNQCLSA-N 316.323 1.923 0 40 DDAB O=C(c1cnn(Cc2ccccc2)c1)N1CCn2nncc2C1 572852922 RTIMEZGOKDDCAE-UHFFFAOYSA-N 308.345 1.179 0 40 DDAB COc1cccc([C@H](C)N[C@H](C)C(=O)N2CC[C@@](C)(O)C2)c1 195580385 WQNNRNNXKULZCS-OGHNNQOOSA-N 306.406 1.718 0 40 DDAB C[C@H]1CO[C@H](CO)CN1C(=O)CCc1cn(C)c2ccccc12 95450094 AXGOOMLRTARPKW-ZFWWWQNUSA-N 316.401 1.719 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1ccco1)C2 96060704 FMVOQEZVNBFBRF-CYBMUJFWSA-N 302.378 1.934 0 40 DDAB CCN1C(=O)CC[C@]12CCCN(C(=O)c1cnc(C)cn1)C2 96203169 SKUIBSWXRLAEGZ-INIZCTEOSA-N 302.378 1.402 0 40 DDAB CCCc1n[nH]cc1C(=O)N1CCC2(CC1)CN[C@H](C(=O)O)C2 91351184 YNCGMOAOOTXGTQ-ZDUSSCGKSA-N 320.393 1.031 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccc(OC)cc1 96245780 RXQMCKFRCJJWBD-HUUCEWRRSA-N 318.373 1.157 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1c(C)nn(C)c1C)C2 97198711 QVZJSFLJYCLSFN-AWEZNQCLSA-N 315.421 1.606 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 96181454 DUKNWDOTDRWZIR-JKSUJKDBSA-N 304.390 1.762 0 40 DDAB CN(C)c1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2 97201976 FHEZFXYFMYLTFW-UHFFFAOYSA-N 324.310 1.914 0 40 DDAB CCOCC(=O)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96106027 BUKLHIQZYFCGBD-HNNXBMFYSA-N 311.422 1.847 0 40 DDAB COCCN1C[C@H]2[C@@H](C1)N(Cc1c(C)noc1C)CC[C@H]2OC 96208907 NEODJBWQIONCGR-GVDBMIGSSA-N 323.437 1.459 0 40 DDAB COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H](C1CC1)N1CCCC1 97376279 QDBOANMNBDIJJB-CQSZACIVSA-N 305.378 1.923 0 40 DDAB COC[C@@H](C)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 97095318 UAAITTRWVQIOKA-CQSZACIVSA-N 305.422 1.798 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 96110754 ODMLWERCSHSQPR-HZPDHXFCSA-N 322.368 1.887 0 40 DDAB O=C(c1ccoc1)N1CCc2ncc(CN3CCCC3)n2CC1 96196858 JRYJMBWYLYZPIO-UHFFFAOYSA-N 314.389 1.770 0 40 DDAB O=C([C@@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCCO1 247852323 JESMDCIOKXZRIE-HNNXBMFYSA-N 316.361 1.587 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 257247960 JBJDQUMYLADRAD-LLVKDONJSA-N 309.395 1.020 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2cc[nH]n2)n1 257321947 WDZOSXKAMNTWBC-OAHLLOKOSA-N 300.366 1.173 0 40 DDAB Cc1ccccc1C(=O)N1CCC[C@@]1(C(N)=O)c1cnccn1 257296486 RDBSARPSULAEBA-KRWDZBQOSA-N 310.357 1.402 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2coc(C)n2)n1 257308264 TWCQRMXZTKXEBD-GFCCVEGCSA-N 304.306 1.001 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)n1 257199936 ABIMWCGMPNFPBF-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB C[C@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1C1CCC1 253590570 CFDVDCPFFRYKSR-LBPRGKRZSA-N 304.394 1.285 0 40 DDAB CCCS(=O)(=O)NCCNc1ccc(-n2cccc2)nn1 90607788 JMQVQLKARUXBTO-UHFFFAOYSA-N 309.395 1.009 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 585107654 JNZAZUZVEYGLDO-OLZOCXBDSA-N 303.337 1.446 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)nn1 585148041 MRNKDONJFSMXPW-AWEZNQCLSA-N 312.329 1.539 0 40 DDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1Cl 58244361 SLCSEJNNVIEVTQ-SNVBAGLBSA-N 318.826 1.674 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc3c(s1)CCOC3)C2 69484949 LIBGJYNTIQOADR-UHFFFAOYSA-N 318.402 1.631 0 40 DDAB O=c1cc(CSc2ccc3c(c2)OCCO3)[nH]c2ncnn12 103100425 WTBKZLZLDMLZQL-UHFFFAOYSA-N 316.342 1.481 0 40 DDAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCS(=O)(=O)CC1 106838302 OEYVENDFVNZIQF-RWMBFGLXSA-N 300.424 1.253 0 40 DDAB N[C@H]1C[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C12CCC2 1580167068 ZKDWOHRYENCZFL-UWVGGRQHSA-N 306.328 1.732 0 40 DDAB O=c1[nH]c(Cn2cncn2)nc2sc3c(c12)CCCS3 97021840 DCVOBCYXBDNQNL-UHFFFAOYSA-N 305.388 1.663 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)NC[C@H]1CCCO1 12794274 FJKAMIQJMKXASM-GFCCVEGCSA-N 306.362 1.110 0 40 DDAB Cc1ccc(C(=O)NCc2ccncc2)cc1NS(C)(=O)=O 13677172 LDSALZLGMJEHML-UHFFFAOYSA-N 319.386 1.692 0 40 DDAB Cc1cc(C)nc(N2N=C(CSc3ncccn3)CC2=O)n1 17052724 OHPWPRBOJUSGBE-UHFFFAOYSA-N 314.374 1.768 0 40 DDAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19021270 IIYOTQUWUVOVIA-GFCCVEGCSA-N 306.366 1.179 0 40 DDAB COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cnn(C)c1 19719806 KQJPEKIWVIGFSJ-CQSZACIVSA-N 321.402 1.955 0 40 DDAB CC[C@@H](Oc1ccccc1C)C(=O)NCCN1CCOCC1 19933829 KQLFZVYDTCOZKT-OAHLLOKOSA-N 306.406 1.601 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H]2[C@@H]1C(=O)O)OCCO3 309850830 JKWOLNXRPQAVAW-HBNTYKKESA-N 313.350 1.460 0 40 DDAB CC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130124 XITSRXDJGJGBNR-UHFFFAOYSA-N 313.361 1.670 0 40 DDAB Cc1cc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)no1 4165605 KHTQOCFPIPYBKQ-LBPRGKRZSA-N 318.285 1.305 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCC[C@@H](O)[C@@H]1O 1848357346 KBGCGXJDRDKYQJ-BFYDXBDKSA-N 302.374 1.491 0 40 DDAB CCCCN(CCO)C[C@@H](O)COc1ccc(NC(C)=O)cc1 30529561 FLYYSMOQHZJOJC-MRXNPFEDSA-N 324.421 1.479 0 40 DDAB O=C1NCCN1C(=O)NC[C@](O)(c1ccoc1)c1cccs1 244998639 KNNGTQSIJHCCRU-AWEZNQCLSA-N 321.358 1.312 0 40 DDAB COCCN1CC=CCC2(CCN(C3CCOCC3)CC2)C1=O 2037834700 DVTMCEQJZGALAC-UHFFFAOYSA-N 322.449 1.683 0 40 DDAB 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c1ccc2oc(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)nc2c1 32909001 HKUWAURADRQZPD-UKRRQHHQSA-N 317.389 1.977 0 40 DDAB Cc1nc(COc2ccc(C(=O)NC[C@@H]3CCOC3)cc2)no1 41370435 IESWWNNALPWZPT-LBPRGKRZSA-N 317.345 1.723 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ccc2c(c1)NC(=O)CO2 33174731 MWRGKGLTZULDHU-GHMZBOCLSA-N 314.345 1.652 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)Nc2ccncc2)cc1 46922638 DRXJGHVNHOBVIM-UHFFFAOYSA-N 305.359 1.807 0 40 DDAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nncs1 23140280 QTPUANCKIHSEHD-UHFFFAOYSA-N 317.418 1.294 0 40 DDAB C[C@](O)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(F)(F)F 89900648 CEFRNWBVZNLCCI-JQWIXIFHSA-N 307.243 1.559 0 40 DDAB Cc1cccnc1CNC(=O)N1CCN(c2cnccn2)CC1 105288732 WFWGGNPPACPJFF-UHFFFAOYSA-N 312.377 1.212 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)C=C(C)C)CC2)C1=O 108532473 RHESWLPVHJAFLL-KRWDZBQOSA-N 308.422 1.830 0 40 DDAB CCN1CCN(CCCCNC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)CC1 102713913 BVKGGGSFOLCBHX-HZPDHXFCSA-N 322.497 1.702 0 40 DDAB CC1(C)C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CCO1 61718009 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COC[C@@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 48324658 IYPRKEYYWKLQEP-GFCCVEGCSA-N 306.362 1.343 0 40 DDAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 48325578 ZNPFDIJYSSROMC-HUUCEWRRSA-N 306.406 1.440 0 40 DDAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 12812228 WMROVLYBQWFEIP-OAHLLOKOSA-N 320.389 1.796 0 40 DDAB O=c1[nH]c(Cn2cc(Br)cn2)nc2ccccc12 38074835 FHJYVHSOHLNPLF-UHFFFAOYSA-N 305.135 1.930 0 40 DDAB CS(=O)(=O)/N=C(\O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 48486848 SPWJLQBWERQQBU-LBPRGKRZSA-N 322.386 1.444 0 40 DDAB CS(=O)(=O)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 69848873 KKOZBYXRNRDPLV-UWVGGRQHSA-N 318.192 1.628 0 40 DDAB O=C(O)CCc1ccc(S(=O)(=O)NCc2ccco2)cc1 13087114 JTNZSBCBHZURMJ-UHFFFAOYSA-N 309.343 1.775 0 40 DDAB Cc1nc(Cl)cc(Oc2cccc(C(=O)NCC(N)=O)c2)n1 69977401 RLYUMWCDYPFXLX-UHFFFAOYSA-N 320.736 1.446 0 40 DDAB COc1cccc(CNC(=O)c2ccc(-n3cnnn3)cc2)c1 9366112 JBNNRZUSSSOVLD-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB CCN(Cc1ccccc1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 5012177 MKJAKCPIHYIIEE-ZDUSSCGKSA-N 317.432 1.025 0 40 DDAB CN1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 13722186 KFNHKPANYJZHCJ-UHFFFAOYSA-N 318.446 1.626 0 40 DDAB Cc1cccc(NC(=O)COC(=O)CNC(=O)c2ccco2)c1 6101308 AHQAVTCZYFMWAP-UHFFFAOYSA-N 316.313 1.500 0 40 DDAB NC(=O)Cn1cc(NC(=O)N2CCC[C@@H]2C2CCCCC2)cn1 65427786 XVXZZZOVMKKEBP-CQSZACIVSA-N 319.409 1.945 0 40 DDAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2cnn(CC(N)=O)c2)s1 65437271 FVSDDRCTIMMRLP-SNVBAGLBSA-N 321.406 1.963 0 40 DDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCCC1 14048860 WGQGLHWFUVKNNQ-UHFFFAOYSA-N 301.346 1.092 0 40 DDAB Cn1cc(Cl)c(C(=O)OCN2C(=O)c3ccccc3C2=O)n1 4734982 RSJIHYZNCMJPSS-UHFFFAOYSA-N 319.704 1.484 0 40 DDAB COCCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C 9498582 OIROFEJUOXOJMM-AWEZNQCLSA-N 322.336 1.985 0 40 DDAB C[C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@@H](C)O1 7777026 PLTOGLAOCJDKGK-VXGBXAGGSA-N 301.346 1.032 0 40 DDAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]c1=O 8484561 NMHBCEGOIZRDSH-UHFFFAOYSA-N 306.391 1.939 0 40 DDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC(C)(C)CN(C)C 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CC(C)[C@@H]1c2cccn2CCN1S(=O)(=O)c1cn(C)cn1 72368808 KGSVIHPMTMTYFC-CQSZACIVSA-N 308.407 1.623 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(Cc2ccccc2F)CC1 369678074 JGZBVBREUBGVQP-UHFFFAOYSA-N 312.410 1.826 0 40 DDAB CCCc1noc(C2CCN(C(=O)CCCC(=O)O)CC2)n1 41123549 PIZXXVBMRIICOT-UHFFFAOYSA-N 309.366 1.983 0 40 DDAB Cc1cc(C)c2c(=O)ccn(CC(=O)NC[C@@H]3CCCO3)c2c1 225754028 WULUBEGPQITVPA-AWEZNQCLSA-N 314.385 1.914 0 40 DDAB COCCn1cc(NC(=O)[C@H]2C[C@]2(C)Br)cn1 528041770 VZPHQRYLOKWGFN-KOLCDFICSA-N 302.172 1.642 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1c2ccccc2C[C@H]1C(=O)O 192638791 LEYLHGOOABEILB-LBPRGKRZSA-N 322.342 1.496 0 40 DDAB Cc1nc2cc(NC(=O)N[C@H]3CCCCNC3=O)ccc2o1 193226765 NHXDILVEFWGQFF-NSHDSACASA-N 302.334 1.926 0 40 DDAB COCCNC(=O)COc1nn(-c2ccccc2)cc1Cl 227152008 LKBYDKVYRSVCGI-UHFFFAOYSA-N 309.753 1.667 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42645993 ZAWNOJNYZVUGKG-MRVPVSSYSA-N 305.161 1.819 0 40 DDAB CC(C)Oc1ccc(NC(=O)[C@]23C[C@@H]2CN(C)S3(=O)=O)cc1 225947497 RQZQUNPJRBMQGA-ABAIWWIYSA-N 324.402 1.446 0 40 DDAB Cn1nccc1C(=O)NCc1nnc2cc(C(F)(F)F)ccn12 225807916 GDRGFPGFKDGNOM-UHFFFAOYSA-N 324.266 1.412 0 40 DDAB O=C(CNc1cccc(F)c1)N1CC[C@@](O)(C(F)(F)F)C1 81442948 DXBWPDVJAXVLCB-LBPRGKRZSA-N 306.259 1.763 0 40 DDAB Cc1cc(-c2noc(CNC(=O)Cc3cccs3)n2)no1 225812298 XYCVNCRADIJHIA-UHFFFAOYSA-N 304.331 1.953 0 40 DDAB Nc1nc(S[C@@H]2CCCN(Cc3ccccc3)C2=O)n[nH]1 89660649 GLWKOPQOVRIISV-LLVKDONJSA-N 303.391 1.670 0 40 DDAB COc1ccccc1N1CC[C@H](N2CCC[C@]2(C)C(=O)O)C1=O 530207836 RLVSXCZSFLSOGD-SUMWQHHRSA-N 318.373 1.740 0 40 DDAB COc1cc(CCNC(=O)N[C@@H](C)Cn2cncn2)ccc1C 96421523 QJQQZJQZMWRJBA-ZDUSSCGKSA-N 317.393 1.526 0 40 DDAB CCC(=O)N1Cc2nnn(C)c2[C@H](COCc2ccccc2)C1 96068847 LZWGKNWLZKMCDZ-AWEZNQCLSA-N 314.389 1.868 0 40 DDAB CCc1ncc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)s1 428190068 DPICIRKSWQUXAP-UKKRHICBSA-N 312.416 1.279 0 40 DDAB O=C(NC[C@H]1OC[C@H]2CN(c3ccccn3)CC[C@@H]12)C1CC1 96187326 MXPKQBMKAABUCO-RBSFLKMASA-N 301.390 1.449 0 40 DDAB COCC[C@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 96455051 SGJKIZBWRVQMRI-WDEREUQCSA-N 311.348 1.689 0 40 DDAB CCS(=O)(=O)C(Br)(Br)[C@H](C)O 96520922 IPKVBZVYZXYXJY-BYPYZUCNSA-N 310.007 1.246 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)c1ccccc1 95476180 CAUWVMIVYMIQRV-UHFFFAOYSA-N 321.336 1.465 0 40 DDAB CC[C@@H](C(=O)Nc1nccn(C)c1=O)c1ccc(OC)cc1 96493642 AYYMZZDJKLUFEC-CYBMUJFWSA-N 301.346 1.921 0 40 DDAB CC(=O)N(C)c1ccc(OC(=O)CCc2cnn(C)c2)cc1 96431552 MRYPPXWVSVSXBM-UHFFFAOYSA-N 301.346 1.941 0 40 DDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccco1)C2 96058890 HEMNBYJCRHHANI-UHFFFAOYSA-N 301.350 1.009 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3nccn3C)C2)C1 96225507 GJZFBBIBOXUKOP-INIZCTEOSA-N 319.409 1.008 0 40 DDAB COc1cccc2c1CCN(C(=O)NC[C@@H](C)[S@](C)=O)C2 96501298 GCEBLOKPHVQHHS-WSVYEEACSA-N 310.419 1.530 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@]2(CCCN(c3nncs3)C2)CO1 96224848 KRDPLCCIFDOWJT-DOMZBBRYSA-N 322.434 1.440 0 40 DDAB CNC(=O)C[C@@H]1COC[C@H]2CN(Cc3sccc3C)C[C@@H]12 96040858 HFKKNAXYJDIIDQ-MCIONIFRSA-N 308.447 1.887 0 40 DDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(Cc4nccs4)CC[C@@H]23)n1 96216085 VKMYUZGDZUZNKO-UPJWGTAASA-N 319.434 1.649 0 40 DDAB C[S@@](=O)C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1 96445390 ZKOFIIVNOJQABW-ZSEKCTLFSA-N 304.371 1.225 0 40 DDAB CC(C)[C@@H]1NC(C2CCN(C(=O)OC(C)(C)C)CC2)=NNC1=O 91690047 RFFHXDVGUXCHEW-LBPRGKRZSA-N 324.425 1.691 0 40 DDAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(n1cc(CN)nn1)C2 95096505 YXFLJZCLLFUPRT-FUNVUKJBSA-N 307.398 1.840 0 40 DDAB c1cnc(N2CCN(CCCNC(C3CC3)C3CC3)CC2)nc1 96476566 CAKSTEWFGUYNGR-UHFFFAOYSA-N 315.465 1.767 0 40 DDAB CCc1cc(N2CC[C@H](N3CCN(CC)CC3)C2)nc(C)n1 253425724 CHOXNAJZSKWMTE-INIZCTEOSA-N 303.454 1.564 0 40 DDAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)nc(C)n1 257224518 FCDRZSJDHGFJHB-GFCCVEGCSA-N 322.394 1.076 0 40 DDAB O=C(NC[C@]1(O)CCN(c2ncccn2)C1)C1CCCCC1 257307837 TUIKGJVTPMINHP-MRXNPFEDSA-N 304.394 1.114 0 40 DDAB O=C(NCc1ccccn1)[C@@H]1CN(c2ccc(F)cc2)CCN1 257335385 YJXRRHVPAASSEC-INIZCTEOSA-N 314.364 1.315 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257212043 CBRQTBSKHDMNCM-NSHDSACASA-N 314.345 1.606 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257318942 VQAJWAFAPYMEQZ-ZDUSSCGKSA-N 302.334 1.604 0 40 DDAB CCc1noc(CCC(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)n1 257313342 URYWOMFVDKBXQC-LLVKDONJSA-N 319.365 1.196 0 40 DDAB CC(=O)N1CCC(c2nc(C)cc(N3C(=O)OC[C@@H]3C)n2)CC1 257232900 GMXYPJZEFKALGZ-NSHDSACASA-N 318.377 1.856 0 40 DDAB NC(=O)[C@@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 41793337 VQWNBSUJXKCFLF-CVEARBPZSA-N 323.352 1.522 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N1CCc2ncncc2C1 96122853 ANJVJLOMFNLSCA-VQHVLOKHSA-N 301.371 1.835 0 40 DDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccncc1F 575608121 LWJUXLPUXDVFBX-UHFFFAOYSA-N 302.309 1.085 0 40 DDAB COc1nc(CNC(=O)c2cc3ccccn3c2)nc(OC)n1 575605479 BCKVWNUDZRWJKI-UHFFFAOYSA-N 313.317 1.072 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2nccc3sccc23)C1 681975379 BFSRYQKJYPFUMO-JTQLQIEISA-N 311.432 1.814 0 40 DDAB COC(=O)C[C@H](NC(=O)CCn1cncn1)c1ccc(F)cc1 52871442 RZLMQNCQGIHGMO-ZDUSSCGKSA-N 320.324 1.228 0 40 DDAB CCC(=O)N1CC[C@@H](NCc2nnn(C(C)(C)C)n2)[C@@H](C)C1 1035864022 DYBMDLZXVVUETQ-NWDGAFQWSA-N 308.430 1.165 0 40 DDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCCN1CCCC1 69902575 XPCYCOCTIYWUMT-CQSZACIVSA-N 309.454 1.674 0 40 DDAB O=C(Nc1cc(C(=O)N2CCc3cncnc3C2)ccn1)C1CC1 552010703 NHKTVNIFWJBIAP-UHFFFAOYSA-N 323.356 1.419 0 40 DDAB O=C1NS(=O)(=O)[C@@H]2C(Cl)=C(Cl)[C@@]3(Cl)[C@@H]2[C@@]13Cl 5640942 XUUFIFMBRBNMQE-VIANUYIESA-N 322.984 1.102 0 40 DDAB Cc1ccccc1N1C(=O)[C@H]2ON=C(C(=O)c3ccco3)[C@@H]2C1=O 100355228 DKYXYHSXOOWNCQ-WFASDCNBSA-N 324.292 1.715 0 40 DDAB Cc1nc(C)n(CCC(=O)N2CCc3ncc(Cl)cc3C2)n1 13228088 IHDNDHKYBGRZLR-UHFFFAOYSA-N 319.796 1.918 0 40 DDAB O=C1CCc2cc(S(=O)(=O)N3C[C@H]4C[C@H]3CS4)ccc2N1 575608407 SLEWRMUPFONXLX-WDEREUQCSA-N 324.427 1.450 0 40 DDAB O=C(/C=C/c1ccco1)NCC(=O)Nc1nnc(C2CC2)s1 28975948 MHIPRVGGEABMSW-AATRIKPKSA-N 318.358 1.777 0 40 DDAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)N(C)C)o2)cs1 29991499 LLCMMOPWYSXNLU-ZETCQYMHSA-N 312.420 1.994 0 40 DDAB Cc1nc(CN2CCN(c3cc(N(C)C)ncn3)CC2)cs1 891652019 AWKATKYKBGAOJF-UHFFFAOYSA-N 318.450 1.630 0 40 DDAB O=C(NCc1ccncc1)c1nc(Cn2cc(Cl)cn2)no1 15082490 NHJHZVOTFXZAEM-UHFFFAOYSA-N 318.724 1.293 0 40 DDAB CC(C)(C)C(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055734482 AKYLZZLADNCALP-LBPRGKRZSA-N 321.421 1.526 0 40 DDAB O=C(CN1CCC(Oc2nccs2)CC1)NCc1ccco1 2086867482 RMFJLMVFUNONLY-UHFFFAOYSA-N 321.402 1.896 0 40 DDAB COc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 1741507 WXDHZIGHLOGJRK-UHFFFAOYSA-N 321.358 1.987 0 40 DDAB O=C(NCCCN1CCCC1=O)c1cc(-c2cccnc2)on1 40553270 RUXOISYHHLQTAO-UHFFFAOYSA-N 314.345 1.479 0 40 DDAB O=S(=O)(NCCc1ncc2ccccn12)c1cccs1 31773179 AMADHPCFFCPHAG-UHFFFAOYSA-N 307.400 1.917 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)on2)cc1 40513035 SDMZWWPNPVLEGV-LBPRGKRZSA-N 320.370 1.567 0 40 DDAB COc1cc2c(cc1OC)CN(Cc1ccn(C)c(=O)c1)CC2 51315214 PPZHSQKVNITIMK-UHFFFAOYSA-N 314.385 1.961 0 40 DDAB O=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1ccccc1 32071748 MPMDLURSHBHFFZ-UHFFFAOYSA-N 300.318 1.391 0 40 DDAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C)nc1 69348700 GVTCBEBIRFCFCV-GXFFZTMASA-N 307.419 1.820 0 40 DDAB Cc1cccc(N2CCN(CCNC(=O)[C@@H]3CCCO3)CC2)c1 46052982 MGTSPOSKWBAXIE-KRWDZBQOSA-N 317.433 1.412 0 40 DDAB CCCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1 2595216 DLXRKWBOJMEVGC-UHFFFAOYSA-N 320.378 1.126 0 40 DDAB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1 3522154 FTHSIXJUTGSYFB-JTQLQIEISA-N 308.334 1.462 0 40 DDAB CCCCNC(=O)COC(=O)CCn1c(=O)oc2ccccc21 7620936 CZEYCANXJXQIFS-UHFFFAOYSA-N 320.345 1.444 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1C[C@H](O)Cn1cccn1 89930041 VQHDHOJVJBQVTR-LSDHHAIUSA-N 300.406 1.979 0 40 DDAB OCCN1CCN(C2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)CC1 102611467 QYNZLWAIULROHW-NUJGCVRESA-N 307.482 1.249 0 40 DDAB Cc1ccc(CCCC(=O)NCC2(C(N)=O)CCOCC2)cc1 52745277 KJWLBTIUHPZNBZ-UHFFFAOYSA-N 318.417 1.716 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C[C@@H](C)O1 8030046 WVOJRRGMQWUFRK-DTORHVGOSA-N 317.338 1.322 0 40 DDAB Cn1c(N)c(C(=O)CCCCCCN)c(=O)n1-c1ccccc1 8132297 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CCC[C@H](C(=O)NC1CCN(CC(N)=O)CC1)c1ccccc1 24905531 DULUTYGQYCLOHX-INIZCTEOSA-N 317.433 1.636 0 40 DDAB OC[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 24990754 JDBJXMFXVBQTOB-MRVPVSSYSA-N 301.272 1.352 0 40 DDAB CCCn1nnnc1COC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 25109757 NUWXWWHJDTUNEI-LBPRGKRZSA-N 322.752 1.783 0 40 DDAB COc1ccc(-n2nc(N)c3c(=O)oc(N(C)C)nc32)cc1 1400275 IBPARLYJEXSTGU-UHFFFAOYSA-N 301.306 1.031 0 40 DDAB CCNC(=O)[C@@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 77939027 OEVJOXRFZLTODX-CYBMUJFWSA-N 314.393 1.323 0 40 DDAB Cc1cc2nc(SCC(=O)NCCC(C)C)[nH]c(=O)c2[nH]1 57520846 NJHRYWVOJDGQIM-UHFFFAOYSA-N 308.407 1.814 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)N(C)C)cc1C 26882644 XPFSLTXUNNLHKQ-CQSZACIVSA-N 305.422 1.501 0 40 DDAB CCN(CC)CCn1c(NC(=O)COC)nc2ccccc21 28305537 SERDBFLUOLFTLN-UHFFFAOYSA-N 304.394 1.963 0 40 DDAB CCc1nnc([C@@H](C)N2CCO[C@H](CNc3cccnn3)C2)o1 78894037 NGZKAJZYILJZON-VXGBXAGGSA-N 318.381 1.296 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)NC2CCCCCC2)no1 44938626 BZMXJGNHXFRXAQ-UHFFFAOYSA-N 314.407 1.737 0 40 DDAB Cc1csc(=O)n1CCC(=O)N(C[C@@H]1CCOC1)C1CC1 44941272 XGWNFKSXWMVMBI-LBPRGKRZSA-N 310.419 1.636 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCCn2cccn2)c1C 58438600 KJXXKCIPUSVJCZ-UHFFFAOYSA-N 305.334 1.862 0 40 DDAB O=C(NCc1c(F)cccc1OC(F)F)N1CCOCC1 78950664 QXXBGUOXXPCEBL-UHFFFAOYSA-N 304.268 1.969 0 40 DDAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCOCC2)cc1 28267971 BNLTUIZKAMRQCE-FPYGCLRLSA-N 300.358 1.451 0 40 DDAB CNC(=O)N(C)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 2334125 PTFPCGDKFNGNJT-LBPRGKRZSA-N 320.267 1.385 0 40 DDAB Cc1noc(C)c1CC(=O)O[C@H](C(N)=O)c1ccc(F)cc1 11206963 QOQUDQFHTLOODL-AWEZNQCLSA-N 306.293 1.743 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)N1 48252506 MELLCEZVPJXQQS-CABCVRRESA-N 318.373 1.139 0 40 DDAB C[C@@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 48288829 UDPCJKJRISJKRM-GFCCVEGCSA-N 320.418 1.652 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 3597165 GFVAJISLVQAOAV-CQSZACIVSA-N 317.389 1.612 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)Cc1noc2ccccc12 69558871 GVOXFWRIINUITO-NSHDSACASA-N 301.346 1.627 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 69627614 IIYYRLGDSLOROP-CVEARBPZSA-N 319.449 1.238 0 40 DDAB CCO[C@@H](C)C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 63744278 HDAHVBCZUMZHSC-LBPRGKRZSA-N 323.368 1.927 0 40 DDAB COCc1nc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cs1 69951667 UZQWLPPBUASVQN-STQMWFEESA-N 309.435 1.988 0 40 DDAB Cc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCCC1 5196645 BXRVVKKUMLPXDQ-UHFFFAOYSA-N 323.349 1.607 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCCN(C[C@@H]2CCCO2)CC1 65440601 QDSCGQZCKKWTLS-AWEZNQCLSA-N 319.405 1.879 0 40 DDAB CC(C)(C)[C@H]1CCCC[C@H]1NCC(=O)NCC(=O)N1CCCC1 65493356 CUUZZFVFTXAEDN-LSDHHAIUSA-N 323.481 1.920 0 40 DDAB CCN1CCN(c2cc(-n3ncc(C(C)=O)c3C)ncn2)CC1 5348630 WUHPGKVHORGFMU-UHFFFAOYSA-N 314.393 1.315 0 40 DDAB O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCCCC1 14114558 HBMVZGPMOPKJIZ-UHFFFAOYSA-N 301.346 1.365 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 4514901 OTNPULBXKBFHOT-MQIPJXDCSA-N 309.410 1.648 0 40 DDAB CC1(COC(=O)CCn2ncc(=O)c3ccccc32)COC1 66522514 MCKOEBHPUPCFLU-UHFFFAOYSA-N 302.330 1.366 0 40 DDAB Cc1nn(C)c(C)c1/C=C/C(=O)OCC(=O)N1CCCCCC1 5775221 IOWWSJYZSHCVQD-CMDGGOBGSA-N 319.405 1.996 0 40 DDAB NC[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 70975393 MYGZQTYIPSKDRN-SECBINFHSA-N 308.325 1.817 0 40 DDAB CC1CCN(CN2C(=O)C(=O)c3cc4c(cc32)OCCO4)CC1 7074563 VZUCLISWEWHSHI-UHFFFAOYSA-N 316.357 1.677 0 40 DDAB Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 80599524 KRVKRNPCWPLNLZ-DZGCQCFKSA-N 324.446 1.721 0 40 DDAB CCn1c(SCC(=O)O)nnc1-c1ccc2c(c1)OCCO2 9193258 DCMHBXSCZPGWAR-UHFFFAOYSA-N 321.358 1.913 0 40 DDAB C[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1cccs1)n1cccn1 81295483 MSSVCDNQHJFKLS-JQWIXIFHSA-N 304.375 1.205 0 40 DDAB CC(C)c1nncn1CCNC(=O)c1[nH]nc2c1CCCC2 96444406 QBQFCLYEJDBBPH-UHFFFAOYSA-N 302.382 1.433 0 40 DDAB CC1CCN(C[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)CC1 71825037 HJLXMYATJGTXNY-CQSZACIVSA-N 319.380 1.628 0 40 DDAB Cc1cnn(C2CN(CC(=O)NCCc3ccsc3)C2)c1 71876819 QHXSPGDSGJCODR-UHFFFAOYSA-N 304.419 1.469 0 40 DDAB NC(=O)CCCNC(=O)Nc1nnc(-c2ccccc2)s1 71831252 CGKUQXUQRGFJJP-UHFFFAOYSA-N 305.363 1.592 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 71881134 KRQQAMKWCSGMPL-HZPDHXFCSA-N 306.406 1.289 0 40 DDAB CCC[C@@H](C)CS(=O)(=O)NCc1cccnc1-n1cncn1 71904688 LKHGZXCLZIAUJA-GFCCVEGCSA-N 323.422 1.518 0 40 DDAB Cc1cc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n[nH]1 84110209 ZBGYECQAJMACDM-QWHCGFSZSA-N 316.405 1.435 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(OCC)c2)C1 97051558 YEIXKANZTWAUIU-HNNXBMFYSA-N 312.435 1.599 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCCn2ccnc2)o1 72275663 ZZDOPXZVKXNTMX-WFASDCNBSA-N 317.345 1.849 0 40 DDAB Cn1c(C2CC2)nc2c1CCN([C@@H](C(N)=O)c1ccccc1)C2 84310764 VEEATYCABDCNQQ-MRXNPFEDSA-N 310.401 1.882 0 40 DDAB CCN(Cc1ccccn1)S(=O)(=O)c1c[nH]c(C(=O)O)c1 94911658 GAGSTVODLOIHNX-UHFFFAOYSA-N 309.347 1.319 0 40 DDAB O=S(=O)(Cc1ccn(-c2ccc(F)cc2)n1)c1nc[nH]n1 84421994 LLACQVOWUGMWBU-UHFFFAOYSA-N 307.310 1.103 0 40 DDAB CC1(C)OC[C@H](CCOC(=O)c2cccc(NC(N)=O)c2)O1 84673847 YDBHZSOGJIEMMO-LBPRGKRZSA-N 308.334 1.876 0 40 DDAB NC(=O)c1cc(Cl)nnc1N1CCN(Cc2ccco2)CC1 95406078 HKDBKHYZFQNXPG-UHFFFAOYSA-N 321.768 1.144 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)c1ccccc1Cl 95417185 HDTLAJGVMDXNSV-KGLIPLIRSA-N 310.781 1.501 0 40 DDAB Cc1cc(C[S@](=O)CC(=O)N(C)Cc2cccs2)on1 95406555 BGFRDHAKMRHRCS-HXUWFJFHSA-N 312.416 1.952 0 40 DDAB Cc1ccc(N2CCC(C(=O)N3CCC(CN)CC3)CC2)nc1 95971482 YITYKKVHIAAHII-UHFFFAOYSA-N 316.449 1.804 0 40 DDAB CCc1cc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)[nH]n1 89282755 UAJVIGIXHFTFKI-INIZCTEOSA-N 314.389 1.773 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 74812592 LNBHBNGYHIRCFK-UHFFFAOYSA-N 308.403 1.299 0 40 DDAB Cc1ccc(C(=O)NCc2noc(-c3ccsc3)n2)c(=O)[nH]1 75125197 BGYIDDCQLJFSDI-UHFFFAOYSA-N 316.342 1.725 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)c2ccoc2)cc1N(C)C 89644172 KFHVNTFDZHMUEZ-UHFFFAOYSA-N 308.359 1.773 0 40 DDAB O=C(CN1CCCN(c2cncc(F)c2)CC1)N1CCCC1 89764641 NOSNOXHYGFKZSB-UHFFFAOYSA-N 306.385 1.355 0 40 DDAB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)C(=O)c1ccccc1 408649802 AHSNBLYTSUMQTG-YKOQMJMCSA-N 314.337 1.999 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)N2C[C@H](CO)OC(C)(C)C2)cc1 1557096862 JVWACZCOVWGGIH-CQSZACIVSA-N 318.373 1.423 0 40 DDAB CS(=O)(=O)CCCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 548349894 BLVVVDFABKRIEJ-AWEZNQCLSA-N 311.451 1.860 0 40 DDAB C[C@@H](NC(=O)c1cccc2oc(O)nc12)C1(S(C)(=O)=O)CC1 515669035 URLFIZQUQMVECY-MRVPVSSYSA-N 324.358 1.229 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CC1 71328796 AUMDESSGBURYOQ-CYBMUJFWSA-N 316.405 1.185 0 40 DDAB Cn1ccnc1[C@@H](CC(=O)Nc1nncs1)C(F)(F)F 557482152 WIEGESSUEDYVMC-ZCFIWIBFSA-N 305.285 1.946 0 40 DDAB O=C(O)CN1CCCC[C@@H]1CNC(=O)OCc1ccccc1 79413611 UBUQUWJIAVSALY-CQSZACIVSA-N 306.362 1.852 0 40 DDAB CN(C[C@@H]1CCCN(CCN)C1)C(=O)OCc1ccccc1 79411495 LPJBHNSZMSPYGH-INIZCTEOSA-N 305.422 1.926 0 40 DDAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 33648609 CJUQJXPBHMRZGJ-UHFFFAOYSA-N 320.370 1.660 0 40 DDAB CC(C)[C@H](NCCc1ccccc1F)C(=O)N1CCOCC1 138743881 YJBDSZXTVUBYQF-INIZCTEOSA-N 308.397 1.841 0 40 DDAB Cc1nocc1CS(=O)(=O)CC(=O)NC1CCCCC1 568882915 ADVBQFDSUQDIGP-UHFFFAOYSA-N 300.380 1.347 0 40 DDAB CN(C)[C@@H]1CC[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1 134050852 LNBNGVXITZDXHJ-LSDHHAIUSA-N 322.453 1.123 0 40 DDAB O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CCc2cccc(O)c21 575071199 RHTTZEZHUHBBGM-CYBMUJFWSA-N 313.357 1.717 0 40 DDAB O=C(O)c1ccc2c(=O)[nH]c3c(-c4ccccc4)nnn3c2c1 45918712 OBJXEXZMBLICAW-UHFFFAOYSA-N 306.281 1.936 0 40 DDAB CC(C)COCCN1CCC[C@@H]1C(=O)N1CCSCC1 225720345 KFKXPNBKYVRINM-CQSZACIVSA-N 300.468 1.699 0 40 DDAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223145473 SUUXJPJPLPUTNY-UHFFFAOYSA-N 301.364 1.096 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn1 225459564 XAEQOCVFFRTDGV-GFCCVEGCSA-N 314.345 1.157 0 40 DDAB COCCN(Cc1ccc(C)o1)S(=O)(=O)c1cccnc1 96470412 GFIUATFUICNGQD-UHFFFAOYSA-N 310.375 1.820 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96239269 GXHDKNFYVPIMAI-ZDUSSCGKSA-N 314.432 1.527 0 40 DDAB Cc1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cn1 96426937 LKPXFKKHEMWDKA-LBPRGKRZSA-N 304.419 1.639 0 40 DDAB COCCC(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202278 QNNHZFWZQFGWDI-QGZVFWFLSA-N 319.405 1.173 0 40 DDAB Cc1c(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)nnn1C 334028895 JLRARSIYAHXKML-LOWVWBTDSA-N 309.414 1.196 0 40 DDAB Cn1cc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)cn1 96192247 QYVBWJAWWFNKFP-AWEZNQCLSA-N 312.373 1.132 0 40 DDAB Cc1cnc(N2CCC3(CN(C(=O)c4cccnc4)C3)C2)nc1 96202775 BAJLEACVPNCSLK-UHFFFAOYSA-N 309.373 1.533 0 40 DDAB Nc1ncnc2c1ncn2CCCn1cc(Br)cn1 91332488 UTMUVBVDSFJUCI-UHFFFAOYSA-N 322.170 1.458 0 40 DDAB CS(=O)(=O)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 96445768 QOMJUYOLKRZZDV-OAHLLOKOSA-N 324.446 1.316 0 40 DDAB CN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 96192845 UBMSBIIGAVONST-OAHLLOKOSA-N 323.780 1.428 0 40 DDAB COc1cc2c(c(OC)c1OC)S(=O)(=O)N=C(Cl)N2 90529343 QCPWSNSCALYTPF-UHFFFAOYSA-N 306.727 1.421 0 40 DDAB c1cn(Cc2noc3c2CN(CCN2CCCC2)CC3)cn1 96259766 WIJCNKQCROFASU-UHFFFAOYSA-N 301.394 1.373 0 40 DDAB C[C@H]1[C@H](CCN(C)C)COCCN1C(=O)COC1CCCC1 248126830 OYKVMVCUOFNTTG-LSDHHAIUSA-N 312.454 1.761 0 40 DDAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCC(CN)CC2)C[C@@H](C)O1 257213596 CIGBMFUKKZGMLJ-VTXSZYRJSA-N 320.437 1.892 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257330251 XNOYDJKAWWVEGL-BFYDXBDKSA-N 322.836 1.986 0 40 DDAB Fc1ccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)cc1F 257293523 QPWKHGWCPNYBJG-HNNXBMFYSA-N 309.316 1.970 0 40 DDAB Cc1cc(N2CCC[C@H](Nc3ncccc3F)C2=O)n(C)n1 267739430 FMUZTASEFFXIKO-LBPRGKRZSA-N 303.341 1.870 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OCC(C)C)cc2)CCO1 272822068 NFXBBAOBKBAZGP-OAHLLOKOSA-N 320.389 1.308 0 40 DDAB O=C1NCCN1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 96098432 HOYSFNXIMVXSTN-UHFFFAOYSA-N 314.345 1.543 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccoc1)[C@@H](C)C2 585097910 OWMFVDYVHKLWDN-NSHDSACASA-N 304.350 1.495 0 40 DDAB CN1CCN(CC2(O)CCCCCC2)C[C@@H](C(=O)N(C)C)C1 585282521 FONKCVGSPXYWMF-HNNXBMFYSA-N 311.470 1.024 0 40 DDAB COc1cccc2cc(C(=O)N3CC(Cn4cncn4)C3)oc12 824804960 AFHPUBYKQPFWGL-UHFFFAOYSA-N 312.329 1.805 0 40 DDAB CCC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58281812 PXUHXQPDHQXTAI-GFCCVEGCSA-N 323.824 1.809 0 40 DDAB COc1ccc(CCCNC(=O)N2CC[C@H](C(N)=O)C2)cc1 56488934 OXILLIZEJYIWAW-ZDUSSCGKSA-N 305.378 1.145 0 40 DDAB C[C@H]1CCCN(C(=O)CCNC(=O)c2cccnc2S)C1 58344277 NRHNPLVUEKQMMN-NSHDSACASA-N 307.419 1.749 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N1CC=C(c2ccc(O)cc2)CC1 69461215 VBBKENVPLIVGFA-CQSZACIVSA-N 316.401 1.729 0 40 DDAB CC[C@@H](C(N)=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 69812446 BLUURWQREASZHY-CJNGLKHVSA-N 305.422 1.638 0 40 DDAB C[S@](=O)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 69894208 HWOYCVUTSNMONN-OAQYLSRUSA-N 302.355 1.775 0 40 DDAB CCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 79110883 GNVDJKUQARJJAO-CYBMUJFWSA-N 317.364 1.977 0 40 DDAB CC(=O)N(CCC(=O)NCCNC(C)(C)C)Cc1ccccc1 97594209 OTEXBMDZIFAJGE-UHFFFAOYSA-N 319.449 1.930 0 40 DDAB CCCc1nc(C)c(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)o1 550381471 IROFWUGQJXAOGG-GFCCVEGCSA-N 320.393 1.565 0 40 DDAB Cn1cc(C(=O)NCC2(c3ccsc3)CCOCC2)nn1 952986353 LMSFNHSGBFIKGY-UHFFFAOYSA-N 306.391 1.355 0 40 DDAB CCN(CC)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 5952332 ACCMOLJUKTVKHA-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB O=C(CN1CCC(O)(c2cccnc2)CC1)N1CCCCC1 12113213 FVTCOKRFFMWZFD-UHFFFAOYSA-N 303.406 1.378 0 40 DDAB Cc1ccccc1NC(=O)C[C@H]1SC[C@@H](C(=O)O)NC1=O 13636891 RHDCPEDMIKAZRK-WDEREUQCSA-N 308.359 1.008 0 40 DDAB O=c1nc(/C=C\c2ccccc2Cl)cc2n1CCN2CCO 17191157 RXZOQVURGPBVGS-WAYWQWQTSA-N 317.776 1.879 0 40 DDAB CN(C)c1cc(CCNC(=O)C2CC2)nc(-c2ccccn2)n1 19584285 VYCXPVNBSSYPGB-UHFFFAOYSA-N 311.389 1.673 0 40 DDAB CN1CCC2(CC1)CN(C(=O)CCCN)Cc1ccccc1O2 19588409 CDXVYDANEGNDGP-UHFFFAOYSA-N 317.433 1.611 0 40 DDAB O=C(O)[C@H]1CCN(C(=O)C2CCN(Cc3ccccn3)CC2)C1 19746031 MGHNAEAYSKQUMN-AWEZNQCLSA-N 317.389 1.227 0 40 DDAB CCOCn1nc(C)c(CC(=O)NCC2(C(=O)OC)CC2)c1C 521396364 QUSOLIUZEOFMSO-UHFFFAOYSA-N 323.393 1.106 0 40 DDAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)N1CCCC1 5155047 VOZGFJWJNAHGOO-UHFFFAOYSA-N 307.297 1.503 0 40 DDAB CCc1ncncc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 561527684 MFSOILNLXBJVHQ-CYBMUJFWSA-N 302.422 1.985 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncncc4F)C[C@@H]3C2)nn1 1888853787 QIFZPIUISWLTNC-TXEJJXNPSA-N 300.341 1.287 0 40 DDAB O=C([C@H]1CN(c2ncnc3ccccc23)CCO1)N1CCCC1 1889130577 ROYUONGTHFLDPY-OAHLLOKOSA-N 312.373 1.457 0 40 DDAB Cc1cnn(CC2CN(C(=O)c3cccc4c3OCCO4)C2)c1 1848666935 RHQGIHZALKCSOW-UHFFFAOYSA-N 313.357 1.735 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)[C@@H](C)n2cncn2)CC1 29756659 UTLIWZBEJUBQJQ-OAHLLOKOSA-N 313.405 1.492 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]21 2037983860 IZXCCKLXNZOEKK-WFASDCNBSA-N 310.344 1.644 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1cccnc1Br 199347425 BQWMXJCFQUGCMZ-UHFFFAOYSA-N 301.977 1.098 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 75606710 MVUWXAWGSHVUBQ-ZBFHGGJFSA-N 315.417 1.246 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(c3cnccn3)CC[C@H]2C1 1565554531 UOMUQBWTYLVHMK-AAEUAGOBSA-N 322.359 1.807 0 40 DDAB CCOC[C@H]1CN(C(=O)CCc2ccc[nH]2)Cc2cn(C)nc21 1565549487 SGEVCAOUSXGDQZ-CQSZACIVSA-N 316.405 1.843 0 40 DDAB Cn1cc(C(=O)N2CCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661290 DNYKSOXJIZKODZ-UHFFFAOYSA-N 322.368 1.912 0 40 DDAB COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)on1 10325844 PXDANSNCSURBHZ-UHFFFAOYSA-N 303.318 1.289 0 40 DDAB Cc1ccc(-n2nnnc2CNC(=O)COc2ccccc2)cc1 10592587 ZKYVAZIHRJVUGZ-UHFFFAOYSA-N 323.356 1.666 0 40 DDAB Cc1ccc2cc(CNC[C@@H]3COCCO3)c3nnnn3c2c1 19234296 YAWVFEMKFQJVLS-CQSZACIVSA-N 313.361 1.091 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2nc3ccc(F)cc3o2)C1 891803777 YSWCXERZACQKOF-SNVBAGLBSA-N 313.354 1.485 0 40 DDAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192162 XIIWCTFHUTWGEN-STQMWFEESA-N 306.410 1.807 0 40 DDAB CC(C)CN1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897183 XQVJZVIEJPLOEC-CVEARBPZSA-N 306.381 1.893 0 40 DDAB biogenic,in-vitro O=S(=O)(NCc1cccnc1)c1cccc2nsnc12 93263 KTUYIXIFHLFETM-UHFFFAOYSA-N 306.372 1.565 0 40 DDAB Cc1ccn2cc(C(=O)NC[C@@H](C)N3CCOCC3)nc2c1 40509870 GIQRUZWLMYVAHU-CYBMUJFWSA-N 302.378 1.093 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 40529727 DBYWQNGHXMDJKS-ZDUSSCGKSA-N 319.386 1.098 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)C1 20572613 CXCVAHMZMLIERA-UHFFFAOYSA-N 320.780 1.774 0 40 DDAB CC(C)Cc1noc(CN2C(=O)c3ccccc3S2(=O)=O)n1 45798783 GPBKUIZEIDZPAZ-UHFFFAOYSA-N 321.358 1.613 0 40 DDAB O=C(Nc1c(F)cccc1F)c1cnc2n(c1=O)CCS2 211343 LKEBONRHPJXINO-UHFFFAOYSA-N 309.297 1.880 0 40 DDAB CCCNC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 32551900 QNMMYOAFSFKCHD-UHFFFAOYSA-N 312.435 1.725 0 40 DDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](n2cccn2)C1 69377852 GLLVWNVCXBCOQJ-HNNXBMFYSA-N 323.360 1.336 0 40 DDAB CC[C@H](C)Oc1ccccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 102171513 FLJWLKKWDHAGSC-CABZTGNLSA-N 315.333 1.834 0 40 DDAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(C)n2)C1=O 6630299 GWQRPPDNKFSXNJ-YRNVUSSQSA-N 306.343 1.989 0 40 DDAB CCCCNC(=O)CNc1ccc(OC)c(-n2nnnc2C)c1 102395428 SUCLIZRKUFTYHB-UHFFFAOYSA-N 318.381 1.308 0 40 DDAB COc1ccc([C@H]2CCCN2CCC(=O)NC(N)=O)cc1OC 69324264 GOQHIOHEPPPDCC-GFCCVEGCSA-N 321.377 1.426 0 40 DDAB CCOc1ccc(OCC)c(N[C@H](C)C(=O)NC(=O)NC)c1 46578386 FMNLDEWJKCATSF-SNVBAGLBSA-N 309.366 1.740 0 40 DDAB CCOC(=O)/C=C/c1ccc(NC(=O)CCn2ccnn2)cc1 32908101 NVLZGPUVSADIJD-VMPITWQZSA-N 314.345 1.883 0 40 DDAB COc1ccc(OC)c([C@@H]2C=C(C(=O)O)Nc3ncnn32)c1 12389697 KMEGANCNTUDJBM-NSHDSACASA-N 302.290 1.279 0 40 DDAB Cn1nccc1CN1CCC2(CC(NC(=O)c3ccco3)C2)C1 108529922 GSFZZCVQLLSUGS-UHFFFAOYSA-N 314.389 1.798 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@@H](C)O1 54304136 WFWZGJJLQPYVJM-VXGBXAGGSA-N 303.362 1.466 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)n1 54661746 RLSBVNFYDSKNQC-QWHCGFSZSA-N 320.393 1.341 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@@H]1c1cccc(F)c1 61718634 BTJKRLAZGGJILR-PWSUYJOCSA-N 320.349 1.835 0 40 DDAB O=S(=O)(Cc1ccc(Br)cc1)c1nc[nH]n1 57341305 PPJQUPMMVZBGSM-UHFFFAOYSA-N 302.153 1.541 0 40 DDAB C[C@H](OC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)c1c[nH]c2ccccc12 47735216 RBGZQAKWINILQT-WDEREUQCSA-N 314.341 1.761 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1c1ccsc1 42950906 YCYDPHHSZWMCLU-AWEZNQCLSA-N 309.435 1.927 0 40 DDAB COC(=O)c1cc2n(n1)CCN(Cc1cccc(OC)c1)C2=O 1387833 ALQWHKUJMNRJAN-UHFFFAOYSA-N 315.329 1.334 0 40 DDAB C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 24961564 VJEOCKIJPSAHQF-CYBMUJFWSA-N 310.419 1.566 0 40 DDAB CCOCC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 25299985 GFGKAYBVNVDZLT-NSHDSACASA-N 317.349 1.453 0 40 DDAB Cc1ccc([C@H](C)NC(=O)N2CCN(c3cnccn3)CC2)o1 43720093 GLCGUGJHEBOVHW-ZDUSSCGKSA-N 315.377 1.971 0 40 DDAB COc1ccc(N(CCO)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cn1 107336862 MSNPHHCDQRMOAJ-SGMGOOAPSA-N 321.446 1.952 0 40 DDAB CSc1sc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)nc1C 69454542 YUGIHRMVMIVFEQ-MRVPVSSYSA-N 314.436 1.903 0 40 DDAB CCCc1ccccc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 25903673 CABVMIMIRMCTMU-ZDUSSCGKSA-N 310.419 1.354 0 40 DDAB CSC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C 108458296 GSMJYROUCUBYNI-NXEZZACHSA-N 307.419 1.945 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)NC[C@H]3CCCO3)c(C)n2n1 27395296 SEECCNSANUNTTC-CQSZACIVSA-N 316.405 1.882 0 40 DDAB CCNC(=O)C1CCN(Cc2nnnn2-c2ccccc2)CC1 27412925 NCOKCNNWGAZDGI-UHFFFAOYSA-N 314.393 1.010 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N(C)C 58169161 JVGRHSBULNFRFZ-GDBMZVCRSA-N 317.433 1.492 0 40 DDAB COc1cc(CC(=O)N[C@H](C(N)=O)c2ccccc2)ccc1C 10269180 VMEVMFQGMBJWTG-KRWDZBQOSA-N 312.369 1.889 0 40 DDAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1nnc2n1CCC2 44934467 OYDHSYGGPIWTCX-MFKMUULPSA-N 314.345 1.242 0 40 DDAB O=C(c1cnc2sccn2c1=O)N(C[C@@H]1CCOC1)C1CC1 44941176 NNWWWTMIIBSREF-JTQLQIEISA-N 319.386 1.397 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccc3c(c2)OCO3)C1 27931093 MMDZNIAYAVJLQV-LLVKDONJSA-N 312.391 1.482 0 40 DDAB Cc1nc2ccc(C(=O)Nc3c(C(N)=O)n[nH]c3C)cc2nc1C 58429607 HHQCLGZUGYDMLX-UHFFFAOYSA-N 324.344 1.629 0 40 DDAB Cn1nc(C(=O)OCC(=O)NC(C)(C)C)c2ccccc2c1=O 3370942 AICUBESTBMBOAE-UHFFFAOYSA-N 317.345 1.005 0 40 DDAB COCC(=O)OCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 10888126 ZEOHTVZNELNNSS-UHFFFAOYSA-N 321.308 1.448 0 40 DDAB Cn1c2ccccc2c2nnc(S[C@H]3CCOC3=O)nc21 2349671 RLPSHTWDXGOTBD-JTQLQIEISA-N 300.343 1.924 0 40 DDAB Nc1nccnc1C(=O)NCc1ccc(Cn2ccnc2)cc1 28695541 NQYUWELDUUIDSU-UHFFFAOYSA-N 308.345 1.234 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NCCN1C[C@H](C)O[C@H](C)C1 45523970 BFCOMXPNNGCIEW-TXEJJXNPSA-N 324.425 1.542 0 40 DDAB C[C@H]1CN(C(=O)NCCc2nnc3ccccn23)C[C@@H](C)O1 48310938 FOEKJBRYNJASJU-TXEJJXNPSA-N 303.366 1.091 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccn(C)n3)cnc12 12947144 WVBRWIBEDFYCJU-UHFFFAOYSA-N 311.345 1.467 0 40 DDAB CCOc1ncccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 63606949 OPYRACIRSPNFHP-JTQLQIEISA-N 308.382 1.905 0 40 DDAB CCc1nc(NC(=O)c2cc(=O)c(OC)cn2C)sc1C 49548015 XMBYULNYVDYVAL-UHFFFAOYSA-N 307.375 1.974 0 40 DDAB O=C(COc1ccccc1)N1CCCN(c2cccnn2)CC1 69949415 QQOAGIPJBGNTRF-UHFFFAOYSA-N 312.373 1.594 0 40 DDAB CSCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69966668 JOJFWQHUWVJMKG-HNNXBMFYSA-N 308.447 1.617 0 40 DDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(C)(C)C1=O 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Cc1cc(F)ccc1CCNC(=O)N[C@H]1CCC(=O)N(C)C1 87118839 VSJJKKFMRBCQBK-AWEZNQCLSA-N 307.369 1.597 0 40 DDAB Cn1nc(C(=O)N2CCN(CC3CCCCC3)CC2)ccc1=O 71832903 LDFINOBDKVWOLI-UHFFFAOYSA-N 318.421 1.118 0 40 DDAB Cc1cnn(C[C@H]2CCCN2Cc2nnnn2-c2ccccc2)c1 71875817 RTUAVZMQICMKCX-MRXNPFEDSA-N 323.404 1.832 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2cc(C)nn2C)c1 71875833 JQNNMCVIDYCTMT-CQSZACIVSA-N 316.409 1.337 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC(n2cccn2)C1 71879075 DVVWVUYMXMXCDO-GFCCVEGCSA-N 302.382 1.117 0 40 DDAB COc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 71829861 YWZGJPZGKUXHJP-OCCSQVGLSA-N 304.390 1.740 0 40 DDAB CCc1nnnn1Cc1nc(-c2ccc3c(c2)OCO3)no1 83834438 LGTFUWHITLTCDO-UHFFFAOYSA-N 300.278 1.063 0 40 DDAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H](C)C(=O)N2CCCC2)cn1 83843407 IIZNWQKOZLYTRN-SQWLQELKSA-N 320.437 1.581 0 40 DDAB Cc1nc(-c2cccc(C(=O)O[C@H](C)C(=O)NC(C)C)c2)n[nH]1 83996407 YDDKOACKPZVOMC-SNVBAGLBSA-N 316.361 1.850 0 40 DDAB COc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(F)c1 72269059 AXLCXQDOGITOQR-JKSUJKDBSA-N 322.380 1.506 0 40 DDAB CS(=O)(=O)NC1CCN(CCc2ccccc2F)CC1 97162625 DARJXFXGZLLQKI-UHFFFAOYSA-N 300.399 1.382 0 40 DDAB NC(=O)CC1CCN(Cc2nc3ccccc3[nH]c2=O)CC1 97201572 CVNLETBVNNZFGS-UHFFFAOYSA-N 300.362 1.011 0 40 DDAB Cn1cccc1[C@H]1COCCN1C(=O)CNC(=O)C(C)(C)C 97379418 LFQSFIFXTCOCEE-CYBMUJFWSA-N 307.394 1.087 0 40 DDAB Cc1ccc(-n2ccnc2)c(C(=O)N(CC(N)=O)C(C)C)c1 72810179 MWZFQOYVHDVHFD-UHFFFAOYSA-N 300.362 1.517 0 40 DDAB C[C@@H](NC(=O)NCCC(=O)N1CCCCCC1)[C@@H]1CCCO1 84636572 YQYUMYRBTQGECM-KGLIPLIRSA-N 311.426 1.646 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 78788716 NNERSDHJCBFFGV-SJORKVTESA-N 302.418 1.920 0 40 DDAB CN1C[C@H](C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O 95435450 ZRJHADASVYHNIM-NUEKZKHPSA-N 316.401 1.749 0 40 DDAB CN(C)C[C@H]1CN(Cc2n[nH]c(-c3cccs3)n2)CCO1 95456073 AFNVOARLSLLEIM-NSHDSACASA-N 307.423 1.296 0 40 DDAB Cc1nc(CN(C)CC(=O)NCCOc2ccccc2)no1 95466698 OTGSOONVQPACCY-UHFFFAOYSA-N 304.350 1.005 0 40 DDAB C[C@@](CO)(NC(=O)NCCCn1cccn1)C1CCCCC1 88482474 QSKACHKGXDNRIU-INIZCTEOSA-N 308.426 1.904 0 40 DDAB O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 95949209 HKTMFIAIBGXSON-OLZOCXBDSA-N 308.378 1.101 0 40 DDAB CN(Cc1ccccc1)[C@H]1CCN(c2ccc(C(N)=O)nn2)C1 75055264 MIXBOXWOLSXUJA-AWEZNQCLSA-N 311.389 1.286 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)CCc1ccncc1)C2 75129122 YSNJLWKBFPMQJA-UHFFFAOYSA-N 311.389 1.455 0 40 DDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2ccccc2oc1=O 75107251 VYDMAPCPKGVGPU-CYBMUJFWSA-N 324.340 1.958 0 40 DDAB O=C(NCc1ncccc1F)N[C@@H]1c2ccccc2C[C@H]1O 89857874 FGCLAYNCCBIXJO-HUUCEWRRSA-N 301.321 1.678 0 40 DDAB O=C(NCCCOc1ccccc1)NCCC(=O)N1CCCC1 32809183 JPODBRPNWZOINV-UHFFFAOYSA-N 319.405 1.767 0 40 DDAB CCN1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 32501768 DHNGWIOBMBGFBE-UHFFFAOYSA-N 301.394 1.363 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C)on2)C1 548664398 IRDFXGIXTUEAHL-HNNXBMFYSA-N 320.418 1.985 0 40 DDAB c1cn2[nH]c(=N[C@@H]3CCN(Cc4cncs4)C3)ccc2n1 548678043 XZPAEEMVLOMPOJ-LLVKDONJSA-N 300.391 1.294 0 40 DDAB O=C(Nc1ccc2c(=O)[nH]ccc2c1)c1ccc2nc(O)[nH]c2n1 1557420804 DWCQSPJENDJRJF-UHFFFAOYSA-N 321.296 1.757 0 40 DDAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](c2ccccc2)C1(CO)CO 218038321 ZXSIRHQSPQZAHM-CVEARBPZSA-N 318.394 1.597 0 40 DDAB O=C(/C=C/c1cccnc1)Nc1ccc(N2CCOCC2)nc1 30936567 WTOOAWRIFPODPJ-ZZXKWVIFSA-N 310.357 1.965 0 40 DDAB Cn1ncc(Cl)c1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 565248531 QAKOKLBFCSRMSR-VIFPVBQESA-N 315.757 1.169 0 40 DDAB Cn1nccc1CCNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 186528349 JUMKUASEVMFTHS-LSDHHAIUSA-N 302.353 1.957 0 40 DDAB C[C@@H]1CN(Cc2ccc(-c3ccccn3)nc2)C[C@H](C(N)=O)O1 570039608 QILSXTPRQZBDCZ-MLGOLLRUSA-N 312.373 1.218 0 40 DDAB CCN1CCN(C(=O)Cn2ccc(=O)c3cc(C)ccc32)CC1 225747033 HTTDCJQGDKFXFA-UHFFFAOYSA-N 313.401 1.474 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1nc2ccccc2s1 42383813 QXJYMARBXFERRR-SECBINFHSA-N 310.400 1.461 0 40 DDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccccc1 224202137 MVQYVQPZKOSQHX-UHFFFAOYSA-N 318.402 1.555 0 40 DDAB CCN1CC2(CN(CCc3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514289782 OMSVSQQACZZIEK-ZWKOTPCHSA-N 315.461 1.054 0 40 DDAB biogenic,in-vitro O=C(c1ccco1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058658 ABHHJIXBLRYJQR-LBPRGKRZSA-N 313.357 1.815 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1nccs1)C2 96198581 VVVOFILXWYPZIK-GFCCVEGCSA-N 319.434 1.798 0 40 DDAB CCc1cnc(CN(C)C(=O)N[C@H](C)c2nncn2C)s1 332342175 SFXDKAVRHGRYFD-SECBINFHSA-N 308.411 1.737 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 96219098 KXSBFXDTVSURNO-CZUORRHYSA-N 302.378 1.599 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)NC2CC2)cc1 97104398 NMBNVBSVJMWODM-AWEZNQCLSA-N 308.403 1.338 0 40 DDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)C 95448296 XAXUDLUQGQKOOC-LBPRGKRZSA-N 306.410 1.852 0 40 DDAB COCC(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21 97953461 KZDDNMPZDIVFPW-BJJXKVORSA-N 324.446 1.490 0 40 DDAB COC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1 96187758 STGBWJGOWVJWNN-CYBMUJFWSA-N 321.402 1.350 0 40 DDAB C[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2 96496899 VKPBXDDSEMCENN-QWRGUYRKSA-N 321.425 1.931 0 40 DDAB Cc1noc([C@H]2COC[C@H]3CN(c4ncc(F)cn4)C[C@H]32)n1 96040729 LJLQNWFMXFYRBO-JLLWLGSASA-N 305.313 1.174 0 40 DDAB COCCC(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 247895044 UTMAXCVMFKOLFK-OAHLLOKOSA-N 320.389 1.395 0 40 DDAB Cc1ncsc1C(=O)N1CCOC[C@H]1CCc1cnccn1 257317454 VJUYVEIYNSJLAN-CYBMUJFWSA-N 318.402 1.715 0 40 DDAB COCC(=O)N1CC[C@H](O)[C@@H](Oc2cccc(OC)c2)CC1 257244675 IMIQHVRQDJAJDF-GJZGRUSLSA-N 309.362 1.072 0 40 DDAB Cc1cc(C)cc([C@@H](O)CNC(=O)NCCn2cccn2)c1 252510335 ZHSMKXRAISDRAJ-HNNXBMFYSA-N 302.378 1.533 0 40 DDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCCC(C)(C)C)n1 604382680 YXZYYOQHRRWAFQ-QBPKDAKJSA-N 321.465 1.711 0 40 DDAB biogenic,in-vitro Cc1nc(O)cc([C@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257308220 TVWRXGLRRRATOO-CQSZACIVSA-N 303.366 1.106 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2c(C)noc2C)n1 257220958 DMYIYBRWRJVVKO-LBPRGKRZSA-N 318.333 1.309 0 40 DDAB Cc1c[nH]c(-c2cncc([C@@H]3CCCN3C(=O)CN(C)C)n2)n1 257265286 LYAHDXVEPLXGRK-AWEZNQCLSA-N 314.393 1.400 0 40 DDAB Cc1cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)nc(C)n1 257277048 NWFYETVGEJACST-OAHLLOKOSA-N 304.394 1.089 0 40 DDAB CC(C)S(=O)(=O)NC1=NCN([C@H]2CCC[C@@H](C)[C@@H]2C)CN1 253565822 IFBYVQSQGMXKAI-AGIUHOORSA-N 316.471 1.315 0 40 DDAB Cc1cn(C)c([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 257291182 QFZQSRDIHZVINX-ZDUSSCGKSA-N 305.403 1.907 0 40 DDAB Cc1nonc1CNC(=O)c1cccc(-c2c(C)noc2C)n1 257244871 INDUIKYBMULLAY-UHFFFAOYSA-N 313.317 1.975 0 40 DDAB CCCS(=O)(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257226009 FITPVZIQKYKSDS-VHDGCEQUSA-N 310.419 1.911 0 40 DDAB O=C(NCCn1ccnc1-c1ncccn1)c1cc(C2CC2)on1 96103905 FSUUEHHTPHISTD-UHFFFAOYSA-N 324.344 1.636 0 40 DDAB Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2c(Cl)cnn2C)cn1 390835506 OVMQOGCYKCQGOR-SWLSCSKDSA-N 323.828 1.895 0 40 DDAB CCc1cc2c(N[C@@H]3C[C@@H](C(=O)O)C[C@@H]3O)ncnc2s1 662895836 HNLRRBMRKSTVJN-ONOSFVFSSA-N 307.375 1.890 0 40 DDAB CC1(C)[C@@H](CNS(=O)(=O)c2cccc(C(=O)O)c2)C1(F)F 663427010 QPYCQZCOJILMCG-SNVBAGLBSA-N 319.329 1.954 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108668 UALRQAMWYVBPCA-ZWECLDOCSA-N 310.369 1.019 0 40 DDAB CN(C)C(=O)NC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 585112892 WKCBVWOARJPBFQ-CYBMUJFWSA-N 303.366 1.304 0 40 DDAB CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)NC2CC2)cc1 585141187 QTLQHIACUIKBAM-JOCHJYFZSA-N 324.406 1.685 0 40 DDAB CN1CCN(CCCCNC(=O)NCCc2cccs2)CC1 58291544 OPQDBZYRYSYUPP-UHFFFAOYSA-N 324.494 1.617 0 40 DDAB O=C(Cc1ccc(F)cc1F)N1CC(OC[C@@H]2CCOC2)C1 1565522412 PGJCQPWMXBZMGC-LLVKDONJSA-N 311.328 1.771 0 40 DDAB Cc1nc(CN2CCN(C(=O)Nc3cnn(C)c3)CC2)cs1 76061284 DFQOFDCDJZBIQZ-UHFFFAOYSA-N 320.422 1.535 0 40 DDAB COC(=O)C1(CNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 547946913 HEPHOEHIMRHACG-GFCCVEGCSA-N 322.405 1.237 0 40 DDAB Cc1ccc(NC(=O)CSc2nnc(C)n2N)cc1Cl 5556869 SWTHANUPXBYXHU-UHFFFAOYSA-N 311.798 1.993 0 40 DDAB CC(C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12996346 SAYTVHMZKAIPIA-LLVKDONJSA-N 304.346 1.335 0 40 DDAB O=S(=O)(c1cccc2cccnc12)N1CCN2CCC[C@@H]2C1 14223650 IAFPBCBORIIMPW-CQSZACIVSA-N 317.414 1.704 0 40 DDAB CC[C@H](Oc1ccccc1C)C(=O)NCCN1CCOCC1 19933832 KQLFZVYDTCOZKT-HNNXBMFYSA-N 306.406 1.601 0 40 DDAB CCn1c(=O)oc2cc(S(=O)(=O)NCCC(C)C)ccc21 19936838 WRKFOHXUEIZKTQ-UHFFFAOYSA-N 312.391 1.939 0 40 DDAB Cc1ccc(N2C[C@H](NC(=O)NCCN(C)C)CC2=O)cc1C 5187763 ZTPDWEWNBOUCQG-CQSZACIVSA-N 318.421 1.270 0 40 DDAB C[C@H]1C[C@H](C)CN(c2nc(NCCO)c3cnn(C)c3n2)C1 7449773 JGTXLMMEWBHLGW-QWRGUYRKSA-N 304.398 1.250 0 40 DDAB C[C@H](C(=O)N1CCCC1)N1CCN(c2ccccc2F)CC1 34668475 UEBCZZYYZKEGIZ-CQSZACIVSA-N 305.397 1.959 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037985068 WVRDBXLOZKWXON-MRXNPFEDSA-N 321.377 1.145 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C 30522265 GRZNZKHSDGATLX-QWHCGFSZSA-N 316.357 1.960 0 40 DDAB CC1CC(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)C1 1614947689 JIMVBLMRBVBDDC-YMAMQOFZSA-N 322.449 1.955 0 40 DDAB Cc1cc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)nc(N(C)C)n1 2087122243 CYDAMJVNAVPAOQ-HUUCEWRRSA-N 319.453 1.277 0 40 DDAB CN(C1CCN(Cc2cccnc2)CC1)S(=O)(=O)C1CC1 2087139738 HJKYCCRIYQAOIL-UHFFFAOYSA-N 309.435 1.470 0 40 DDAB CCCS(=O)(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 9037661 MGLYCJRALVVNBS-AWEZNQCLSA-N 310.419 1.365 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccsc2)C1 2055772452 KHGSUYBPISPZQA-HNNXBMFYSA-N 318.402 1.322 0 40 DDAB Cc1cc([C@]2(C(F)(F)F)NC[C@@H](C)NC2=O)cc(C)c1O 20529173 RTYWNOAMQHSNGT-RNCFNFMXSA-N 302.296 1.875 0 40 DDAB CN(C)c1nc(CNC(=O)Nc2ccccc2)nc(N(C)C)n1 575607549 OKQLYCKEIMJQHP-UHFFFAOYSA-N 315.381 1.325 0 40 DDAB O=C(C1CN(c2ccc(C(F)(F)F)nc2)C1)N1CCOCC1 2298041222 ITDVNYZNSQXLOK-UHFFFAOYSA-N 315.295 1.395 0 40 DDAB COc1ccccc1-c1ccc2nnc(SCC(N)=O)n2n1 4376602 DESWTFXHGAVWQM-UHFFFAOYSA-N 315.358 1.377 0 40 DDAB C[C@@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1 75156260 AGVJRVQMWJWSIM-PXAZEXFGSA-N 316.357 1.481 0 40 DDAB O=C(CCCc1nnc2ccccn12)NCC1CCOCC1 96117045 XRZSKLZJUKELDZ-UHFFFAOYSA-N 302.378 1.595 0 40 DDAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 40030687 RNUNSOTVTPUCIS-AWEZNQCLSA-N 323.414 1.749 0 40 DDAB O=C(NCc1cccc(F)c1)C(=O)Nc1n[nH]c2ncccc12 40287470 WSFUXEZEQXOXSJ-UHFFFAOYSA-N 313.292 1.352 0 40 DDAB CC[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CCO1 30851236 OICFPEOXWOOJRV-ZDUSSCGKSA-N 316.357 1.741 0 40 DDAB COc1ccc2cc(/C=C3\NC(=S)NC3=O)c(O)nc2c1 100789987 DRDXFWAEAUULKY-WZUFQYTHSA-N 301.327 1.294 0 40 DDAB O=C(NCc1cccs1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31602658 BKNJTJATYWBZMV-LBPRGKRZSA-N 315.398 1.808 0 40 DDAB C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)[C@@H]1CCCO1 40504371 LURLABFWNKXUPZ-RISCZKNCSA-N 303.362 1.514 0 40 DDAB NC(=O)CC1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 40542545 MMHQOSPZOXJMAN-UHFFFAOYSA-N 314.341 1.521 0 40 DDAB C[C@H]1CN(C(=O)CNc2cc(Cl)ccc2C(N)=O)CCO1 40511219 IZELDDQCZTXTRL-VIFPVBQESA-N 311.769 1.098 0 40 DDAB CN1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 203745 WMCRUOUJDVCHSC-KRWDZBQOSA-N 301.434 1.673 0 40 DDAB O=C1CC[C@@H](C(=O)OCc2nc(-c3ccc(F)cc3)no2)N1 11701169 LNYLPHJWWSKOKZ-JTQLQIEISA-N 305.265 1.198 0 40 DDAB O=C(O)CC(CC(=O)O)CN(CC(=O)O)Cc1ccccc1 1592503 BFEDEBUVJPYTGL-UHFFFAOYSA-N 309.318 1.139 0 40 DDAB CC(C)NC(=O)c1nnn2c1[nH]c(=O)c1cc(Cl)ccc12 20745596 WMACLNJGWFPVNE-UHFFFAOYSA-N 305.725 1.362 0 40 DDAB O=C1CCCN1CCCNS(=O)(=O)c1ccc(F)cc1F 3293387 YGRYKMPOKKKKGG-UHFFFAOYSA-N 318.345 1.256 0 40 DDAB Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2 4944794 SLIMHJPTTFRADA-LBPRGKRZSA-N 306.325 1.979 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)CC(=O)N(C)C)c1C 7309336 IPMGOWOWLHMKBP-UHFFFAOYSA-N 312.435 1.629 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 103512841 VKKJUZODTIMMGO-APYUEPQZSA-N 312.369 1.965 0 40 DDAB CCOc1ncccc1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 89988785 CSBAVKNWYNJKDU-LBPRGKRZSA-N 324.402 1.272 0 40 DDAB COCCn1c(C)c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc1=O 12391722 YNDVHSIOFLHTDR-UHFFFAOYSA-N 317.320 1.574 0 40 DDAB CC/C(N[C@@H](C)C1CC1)=C1/C(=O)NC(=S)N(CC(C)C)C1=O 102634452 QKTQUIYIZGISBG-ZFEMDRMUSA-N 323.462 1.938 0 40 DDAB COc1cc(CNC(=O)CN(C)c2cnccn2)ccc1C 54282787 CRGYMQIPRUXPAS-UHFFFAOYSA-N 300.362 1.546 0 40 DDAB COc1ccc(CC(=O)N2CCC(N3CCNC3=O)CC2)cc1 54318536 ZUWSSHXUQOFVJQ-UHFFFAOYSA-N 317.389 1.254 0 40 DDAB CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 23421541 ICGBILIHJGJFCT-UHFFFAOYSA-N 305.403 1.555 0 40 DDAB Cc1n[nH]c([C@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)n1 76048847 MEZXBGMUCQPRFI-PEBXRYMYSA-N 320.418 1.294 0 40 DDAB Fc1cnc(N[C@H]2CO[C@]3(CCN(c4ncccn4)C3)C2)nc1 107786140 GVGPKBNTOUOIQZ-IUODEOHRSA-N 316.340 1.256 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)Cn2cccn2)c1C 24805630 QDSMKWWAZMQKPH-SNVBAGLBSA-N 318.377 1.823 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)nc2)nc1 25011990 RNIBBPFCHMHJHW-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CC(C)(C)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3297837 BBIJHJOMIVXKOJ-UHFFFAOYSA-N 303.314 1.865 0 40 DDAB Cc1cc(CN(C)C(=O)NCc2nnc3n2CCCCC3)no1 43779757 QYWGPUGCYYQLFO-UHFFFAOYSA-N 318.381 1.643 0 40 DDAB C[C@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@H](C)O1 26396157 AXRHJSFXORVVQX-RYUDHWBXSA-N 301.346 1.032 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 172383653 NFNIZQBCLLEPDE-IUPBHXKESA-N 310.781 1.811 0 40 DDAB COc1ccccc1NC(=O)[C@H](Cc1cccnc1)c1nnn[nH]1 57523555 IDUXZWRVYFWETG-GFCCVEGCSA-N 324.344 1.568 0 40 DDAB CCn1cc(CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(C)n1 20606865 VVHOCQWQVCFXRI-UONOGXRCSA-N 305.378 1.837 0 40 DDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O 2028046 ROLKPLJIYRQHNY-LMOYCYGVSA-N 301.298 1.066 0 40 DDAB biogenic,in-vitro CC[C@@H]1CN(CCC(=O)NC2CCCC2)CCN1C[C@@H](C)O 78766594 GBFCJQYMCAKNTJ-GDBMZVCRSA-N 311.470 1.212 0 40 DDAB COCc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 44890070 YFGJLDNDXJQPMR-OAHLLOKOSA-N 302.374 1.716 0 40 DDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCSCC1 44950631 QEQCYISNLOPMFL-NSHDSACASA-N 308.403 1.469 0 40 DDAB Cc1cc(O[C@H](C)C(=O)N2CCNC(=O)C2)ccc1C(C)C 44959854 QQNUFGQOZNNDBP-CYBMUJFWSA-N 304.390 1.844 0 40 DDAB COc1c(CNCc2cccnc2-n2ccnc2)c(C)nn1C 58393349 TVHQYTNUORTQTH-UHFFFAOYSA-N 312.377 1.608 0 40 DDAB CCN(CC)c1ccc(NC(=O)NCc2nncn2CC)cn1 48172775 WCEAZDMBYVBTQL-UHFFFAOYSA-N 317.397 1.861 0 40 DDAB C[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(N)=O 10654100 OOWNMXFHDYHPSG-JTQLQIEISA-N 317.345 1.461 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)o1 11359516 KCBLEJIXQVIEJY-UHFFFAOYSA-N 308.359 1.890 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N[C@H]2CCCCNC2=O)cn1 45668671 NUBULHDCEAUKLL-ZDUSSCGKSA-N 320.393 1.337 0 40 DDAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCOCC1 3612688 SICYXLFGOZDBMP-MRXNPFEDSA-N 318.417 1.998 0 40 DDAB C[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1nncn1C 69484247 OARFBDUFWOPVNF-ZETCQYMHSA-N 318.761 1.647 0 40 DDAB c1coc(-c2nnc(CN3CCC[C@H]3Cn3cncn3)o2)c1 69488849 DMDLWRRBSXUCLT-NSHDSACASA-N 300.322 1.586 0 40 DDAB COC(=O)[C@H]1CN(C(=O)c2cnc(C)cn2)c2ccccc2O1 69441178 XMNDLPFHIIQOBW-CQSZACIVSA-N 313.313 1.366 0 40 DDAB CCc1noc([C@@H](C)N2CCN(C[C@H]3CCCCO3)CC2)n1 69436328 MZLLLRUEFIBFJN-ZIAGYGMSSA-N 308.426 1.880 0 40 DDAB O=C(NCc1ccccc1)N1CCC[C@@H](N2CCNC2=O)C1 63975085 OWGDBVFIGKEMEJ-CQSZACIVSA-N 302.378 1.386 0 40 DDAB Cc1c(NC(=O)CNC(N)=O)cccc1OCC(F)(F)F 69534690 YWCFKCNQXRFPAC-UHFFFAOYSA-N 305.256 1.543 0 40 DDAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CCC[C@H](O)C1 69628899 XXOGXAUSQNTKQN-INIZCTEOSA-N 314.389 1.581 0 40 DDAB Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1 6140001 BPMBKDZJUXAPNR-UHFFFAOYSA-N 317.374 1.126 0 40 DDAB CC[C@@H](C)[C@@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1 69895409 HXHRQVMBVNZIDQ-IUODEOHRSA-N 317.389 1.484 0 40 DDAB Cn1ccnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 6370343 RVGUSVUNNFTFGO-UHFFFAOYSA-N 303.343 1.726 0 40 DDAB COC[C@H](O)CN(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 65428643 OWWZJEDDIYFUSD-DGCLKSJQSA-N 324.377 1.168 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@H](C)COCc2ccccc2)CC1 69967847 YYWYSUQNISEXFS-HZPDHXFCSA-N 320.433 1.364 0 40 DDAB CN1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 4680959 AEQNGJPLAFXGJS-UHFFFAOYSA-N 319.424 1.812 0 40 DDAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC=CC[C@H]1C(=O)O 6847401 FJUQTIWEBLERLG-QWHCGFSZSA-N 317.341 1.741 0 40 DDAB c1cc2c(cc1[C@@H]1CCCN1c1ccc3nnnn3n1)OCCO2 8855924 VAOQVTNRLBFBJK-LBPRGKRZSA-N 324.344 1.632 0 40 DDAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CCC(N)=O)C1=O 7201535 YHLMNNTYFKVQKJ-QGZVFWFLSA-N 311.341 1.482 0 40 DDAB CCCCn1c(N)c(N(CC)C(=O)CCC(C)C)c(=O)[nH]c1=O 7814017 KVYINLORMCXYIF-UHFFFAOYSA-N 324.425 1.708 0 40 DDAB CC(=O)c1ccc(NC(=O)N[C@H]2CCCN(C(N)=O)C2)cc1 96012615 JVNKNXNUWHINJQ-ZDUSSCGKSA-N 304.350 1.554 0 40 DDAB CC(C)N(C(=O)CSc1nc(N)cc(=O)[nH]1)c1ccccc1 9704071 IMIDKBDXWWSGFI-UHFFFAOYSA-N 318.402 1.886 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2occc2C)cc1 9479165 KZMRPUOFCMZIAA-UHFFFAOYSA-N 322.386 1.567 0 40 DDAB COC(=O)[C@]1(C)CCN(Cc2cnc3nc(C)cc(C)n23)C1 93813745 CICVMHAUYMUKLK-MRXNPFEDSA-N 302.378 1.731 0 40 DDAB Cc1cc(NC(=O)CC2(Cn3cnnn3)CCCCC2)nn1C 79464435 UTOOWNYXIXHQBS-UHFFFAOYSA-N 317.397 1.694 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)n(C)n1)CC2 96420931 AWKHSMXCHQBABW-KGLIPLIRSA-N 307.394 1.121 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCO2 71829493 HLLARFRCOFYNFC-JQWIXIFHSA-N 304.346 1.070 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 71871322 DXSCKNWKVBSXCF-ZDUSSCGKSA-N 315.373 1.480 0 40 DDAB C[C@H](O)CN1CCC(CNCc2nc(-c3ccoc3)no2)CC1 71871158 ZFETVGLUPJRWGH-LBPRGKRZSA-N 320.393 1.512 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cnn(C(C)(C)C)c1 97034178 IKDRLWCBTCNVCV-MNOVXSKESA-N 307.398 1.756 0 40 DDAB O=C(NCc1cn[nH]n1)[C@H]1CCCCN1C(=O)c1ccccc1 97013691 JTOCTZXDNNHHRL-CQSZACIVSA-N 313.361 1.116 0 40 DDAB Cc1noc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)n1 97086514 AVKROUKPIQHXSC-CYBMUJFWSA-N 306.753 1.705 0 40 DDAB CC(=O)Nc1cccc(NS(=O)(=O)c2c(N)noc2C)c1 72240863 WCTZNLPTVIUHHR-UHFFFAOYSA-N 310.335 1.324 0 40 DDAB OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc2nnnn2n1 72296133 JHLBPVBIHMYVJH-LLVKDONJSA-N 309.333 1.016 0 40 DDAB O=C([C@@H](O)c1ccccc1)N1CCN([C@@H]2CCSC2)CC1 87494072 FIKOHCPRLOXTOD-CABCVRRESA-N 306.431 1.370 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NCCn1cc(C)cn1 97166084 FFPWMCNKHGZUFB-OAHLLOKOSA-N 305.353 1.705 0 40 DDAB CCC(CO)(CO)NC(=O)c1cc(-c2ccc(F)cc2)on1 97376836 SHAUAUFYOQGLFV-UHFFFAOYSA-N 308.309 1.344 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CCc2[nH]ncc2C1 84489905 PMVOMDVFHRDXGT-LLVKDONJSA-N 314.345 1.860 0 40 DDAB O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C1=CCCC1 95446273 PPKLDEKUNASVJZ-IAGOWNOFSA-N 300.402 1.848 0 40 DDAB O=C(CCc1ccc(Br)cc1)NCc1nc[nH]n1 95407187 QSZOINPRZSUDFZ-UHFFFAOYSA-N 309.167 1.816 0 40 DDAB CCC(=O)N1CC[C@@H](NC(=O)Nc2cccc3c2CCN3C)C1 95416971 CNHCCBAGWNBUGX-GFCCVEGCSA-N 316.405 1.811 0 40 DDAB O=C(NCc1ccnc(N2CCCCC2)c1)NC[C@@H]1CCOC1 89884803 IGTYAPXAQUAXQI-HNNXBMFYSA-N 318.421 1.908 0 40 DDAB C[C@@H]1CCc2onc(C(=O)N3CCC4(CC3)OCCO4)c2C1 20572061 KBBPIUVFWVOEPZ-LLVKDONJSA-N 306.362 1.779 0 40 DDAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCN1CCOCC1 20459768 OOQOGEFWOIBMEC-KRWDZBQOSA-N 320.433 1.991 0 40 DDAB NCC[C@H](NC(=O)c1coc(C2CCOCC2)n1)C(F)F 516288368 AHCQQXWHVKTHFW-VIFPVBQESA-N 303.309 1.281 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)oc1C 530412437 VCUMJBIRBDLKGT-UONOGXRCSA-N 318.377 1.894 0 40 DDAB O=C(O)C1=NC2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 33837947 SINTYOCGLUYQQO-FSPLSTOPSA-N 318.280 1.783 0 40 DDAB COc1ccc([C@H](O)CNC(=O)N[C@H](C)Cn2ccnc2)cc1 41451822 YVZOQPZNBILQEQ-IUODEOHRSA-N 318.377 1.313 0 40 DDAB CCOCCCNC(=O)[C@H](C)Cn1cc(Br)cn1 32611164 BCHDLGIITADGAC-SNVBAGLBSA-N 318.215 1.825 0 40 DDAB COc1ccnc(N2CCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)c1 188878637 XUHOXVGMENTXMP-QWHCGFSZSA-N 322.409 1.345 0 40 DDAB Cn1ccc(C(=O)N2CCC(O)(c3cccnc3F)CC2)n1 72340045 IKULAMGJAMXCCJ-UHFFFAOYSA-N 304.325 1.078 0 40 DDAB CCCCn1ncc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1C 133101643 KJRPXVODBFJJOX-GFCCVEGCSA-N 317.397 1.720 0 40 DDAB CCc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c(O)c1 191702029 CFPCNYIISUFJES-HNNXBMFYSA-N 316.405 1.721 0 40 DDAB Cn1cc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)cn1 225723719 GWONMGOXJSUUIA-LBPRGKRZSA-N 304.375 1.952 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CC[C@@H](Oc2cnccn2)C1 225794360 LGNXGXYYIFQOMI-LLVKDONJSA-N 300.318 1.636 0 40 DDAB O=S(=O)(c1ccc(Cl)s1)N1CC(n2ccnn2)C1 225694249 RFEPMTRGRYVYFV-UHFFFAOYSA-N 304.784 1.239 0 40 DDAB CCOC(=O)c1cnc(N(C)[C@@H]2CCN(C)[C@H](C)C2)nc1C 96496065 RMMACSGSSYIEAY-DGCLKSJQSA-N 306.410 1.881 0 40 DDAB CC(C)c1nsc(N2CCC[C@H](NS(C)(=O)=O)C2)n1 92607296 LXDOTCRXRHWGEK-VIFPVBQESA-N 304.441 1.180 0 40 DDAB c1cn2c(n1)CN(C[C@@H]1CCOC1)C[C@H](CN1CCCC1)C2 96188388 PCQNUJGXYAWLLT-HOTGVXAUSA-N 304.438 1.447 0 40 DDAB CN(C)C(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 96042699 XCZKBXXYVNWXFG-GVDBMIGSSA-N 302.418 1.797 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181902 IKCWPEGKOUTTNM-DZGCQCFKSA-N 308.353 1.498 0 40 DDAB O=C(N=c1ccc(-c2ccccc2)n[nH]1)N1[C@H]2CC[C@H]1COC2 333823886 JOHJDPHLBUYLFO-KBPBESRZSA-N 310.357 1.961 0 40 DDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccco3)[C@H]2C1 96250471 HBGMMXWJMHSXJT-BPUTZDHNSA-N 322.405 1.364 0 40 DDAB Cc1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)n(C)n1 95997974 YDBOBVFZYSLTAZ-UHFFFAOYSA-N 322.372 1.684 0 40 DDAB CC(C)OCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 96451089 YXRPPRWXFHXYNT-KGLIPLIRSA-N 315.439 1.711 0 40 DDAB COC(=O)c1cccc(CCNC(=O)c2ccncc2F)c1 92031453 QWBXJKKPFAPWCA-UHFFFAOYSA-N 302.305 1.980 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)[C@@H](C1CC1)N1CCCC1 97376662 NYSPNEOEEYGECF-OAHLLOKOSA-N 317.437 1.375 0 40 DDAB O=C(c1cocn1)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96106659 NSYBUKXZLDMBTH-CYBMUJFWSA-N 306.362 1.865 0 40 DDAB CCc1cnc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1 96067911 QWMYJESGGVOYEF-UHFFFAOYSA-N 323.404 1.543 0 40 DDAB O=C(c1ccncn1)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 96042394 VIKVLWPTTIWDKG-KFWWJZLASA-N 303.362 1.275 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 243681948 PHGWOEITLMNJNA-AUZPSNTRSA-N 303.362 1.176 0 40 DDAB CCCOCC(=O)NS(=O)(=O)Cc1cccc(Cl)c1 252509534 YPLYYPNSLWTPNM-UHFFFAOYSA-N 305.783 1.713 0 40 DDAB O=C1NC(=O)C2(CCN(Cc3c(F)cccc3Cl)CC2)N1 41599275 PZWIQBXGACSWOR-UHFFFAOYSA-N 311.744 1.653 0 40 DDAB CC(=O)N1CCN(C2CCN(C)CC2)C[C@@H]1c1ccccc1 257234741 GUXFEVCBWQCVNG-GOSISDBHSA-N 301.434 1.986 0 40 DDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3cccn3C)C2)ncn1 257328801 XHEJCWCAJXNBGW-AWEZNQCLSA-N 314.389 1.455 0 40 DDAB CC(=O)N1CCC[C@H]1c1nccnc1-c1cnc2ncccn12 257288380 PTZIJSIVBYVVBQ-LBPRGKRZSA-N 308.345 1.870 0 40 DDAB O=C(/C=C/c1ccccc1Cl)N1CC(N2C(=O)CNC2=O)C1 390828655 SQBRXCNOSQVMHP-AATRIKPKSA-N 319.748 1.116 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)Cc1cccc(F)c1 585094744 KEWDSBAKTMAHOM-CQSZACIVSA-N 317.364 1.702 0 40 DDAB NC(=O)CN1CCCC[C@H]2CN(CC3(O)CCCCC3)CC[C@H]21 585283979 PZVFXFWHSUNVRD-JKSUJKDBSA-N 323.481 1.343 0 40 DDAB CCS(=O)(=O)N1CC[C@@](COc2ccc(C)cc2)(OC)C1 585275136 YAONSRHAJAXVIM-OAHLLOKOSA-N 313.419 1.814 0 40 DDAB C[C@H]1CN(CCNC(=O)c2ccc(NC3CC3)nc2)C[C@H](C)O1 58268232 PJRWVKKIQGGCFS-STQMWFEESA-N 318.421 1.495 0 40 DDAB Cn1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)n1 55315617 QSKFDUQMNOHIMU-GFCCVEGCSA-N 316.386 1.574 0 40 DDAB C[C@H]1CN(c2ccc(CNCc3ncc[nH]3)cn2)C[C@@H](C)O1 67668937 NTFRCVIFPLOQNW-BETUJISGSA-N 301.394 1.708 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cn1 69349776 TZCXSFVHOOGMNT-CYBMUJFWSA-N 305.403 1.431 0 40 DDAB Cc1nnc2n1CCN(C(=O)Cc1ccc(-n3cccc3)cc1)C2 69484892 ZQXCCPHQCYCZLG-UHFFFAOYSA-N 321.384 1.962 0 40 DDAB Cn1cnc(CNC(=O)N2CCCC[C@H]2C2(CN)CCC2)c1 1553542270 YZXMNIVUXMYXCY-AWEZNQCLSA-N 305.426 1.613 0 40 DDAB CCc1nnsc1C(=O)N1CCn2c(nnc2C(C)C)C1 69771500 FLUHWPHENBVEHE-UHFFFAOYSA-N 306.395 1.471 0 40 DDAB COc1ccc(-n2cnnc2SCC(=O)NC(C)C)cn1 70036815 JIDVHNONBQQVHY-UHFFFAOYSA-N 307.379 1.288 0 40 DDAB CCn1cc(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cn1 95991678 AKGYYUIUMINXKA-CXOJTPOUSA-N 307.394 1.955 0 40 DDAB Cc1cc2n(n1)C1(CCN(C(=O)C(C)(C)C)CC1)CC(=O)N2C 1772596209 VUZVEXSHOMFLHU-UHFFFAOYSA-N 318.421 1.922 0 40 DDAB O=C(Cc1ccccc1)Nc1ccc(C(=O)Nn2cnnc2)cc1 14405675 YGZILAMAQJSDIZ-UHFFFAOYSA-N 321.340 1.843 0 40 DDAB Cn1cc([C@@H]2CN(Cc3ccncc3)C[C@H]2N)c2ccncc21 19290472 SPKWSQKVUKRBRH-DLBZAZTESA-N 307.401 1.895 0 40 DDAB Cn1cc(CNC(=O)N2CCC(c3ccnn3C)CC2)cn1 157507258 VTWSWAPSMUNJOP-UHFFFAOYSA-N 302.382 1.243 0 40 DDAB CC(C)(C)CN1CCC[C@H](N2CC[C@@H](O)C(F)(F)C2)C1=O 521398730 NABQTXHTMGPCIO-NWDGAFQWSA-N 304.381 1.725 0 40 DDAB Cc1ccc(C)c2sc(N3CC[C@]4(C3)NC(=O)NC4=O)nc12 1888864344 QIPAIJTUEVUNTQ-OAHLLOKOSA-N 316.386 1.701 0 40 DDAB FC(F)(F)c1ccnc(N2CCN(c3cnsn3)CC2)n1 1889078529 RGTKLZXJUHCOHE-UHFFFAOYSA-N 316.312 1.674 0 40 DDAB CN(c1ccccn1)C1CCN(c2ccc3nncn3n2)CC1 1889134412 FHZNKGZMVMTZNV-UHFFFAOYSA-N 309.377 1.625 0 40 DDAB O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1NCc1cccnc1 36739940 GFAVXFMJJIJTRC-QZTJIDSGSA-N 315.392 1.946 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 96432152 ZYYUVTXAZMHDRX-IIAWOOMASA-N 324.384 1.605 0 40 DDAB CC(=O)NCCCNC(=O)c1cnc2c(cnn2C(C)C)c1 31243629 PVMJLJFWKPUOMB-UHFFFAOYSA-N 303.366 1.268 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1 40497522 IVIOSSCFNWCNRF-LLVKDONJSA-N 318.295 1.505 0 40 DDAB CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCOc2ccccc21 40540771 APLBNJBUBZREFB-ZDUSSCGKSA-N 311.403 1.697 0 40 DDAB CN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12 226317 BMPMMAGFHGAYLM-UHFFFAOYSA-N 320.414 1.927 0 40 DDAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCOCC1 318424 PMJHYRTVDJPHOR-UHFFFAOYSA-N 317.311 1.640 0 40 DDAB O=S(=O)(O)C[C@@H](O)CSc1nc2ccccc2s1 3156491 ODFCBACQQKKDTR-ZETCQYMHSA-N 305.402 1.637 0 40 DDAB O=C(O)[C@]12Nc3ccccc3[C@](C(=O)O)(Nc3ccccc31)O2 3198550 PXEUECDUVOBJPD-HOTGVXAUSA-N 312.281 1.729 0 40 DDAB CCOC(=O)C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F 4009306 HKJXTYXFXMSKIL-LLVKDONJSA-N 310.272 1.435 0 40 DDAB OCCN1CCC(CNCc2ccc(-n3cccn3)cc2)CC1 69415334 LBBROABSRJFROD-UHFFFAOYSA-N 314.433 1.666 0 40 DDAB COc1cc(NC(=S)NCC(OC)OC)cc(OC)c1 477833 CQZSNAKBHPOIMV-UHFFFAOYSA-N 300.380 1.609 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)C1 59747440 UUKSEFNVLPYFHF-ZETCQYMHSA-N 322.312 1.754 0 40 DDAB COC(=O)c1ccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1 102334147 HEHVNUXGUCHIRL-GFCCVEGCSA-N 314.301 1.357 0 40 DDAB CCn1c(=O)n(CCC(=O)NC[C@H]2CCCO2)c2ccccc21 22516327 QFSRAOFPHLNBEO-CYBMUJFWSA-N 317.389 1.508 0 40 DDAB CN1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 22795501 KAVNNAJQECZJJT-UHFFFAOYSA-N 301.312 1.891 0 40 DDAB Fc1cc(CNC[C@@H]2CCN(C3CC3)C2)ccc1-n1cncn1 42229069 FVQAURRZDFDWTP-AWEZNQCLSA-N 315.396 1.980 0 40 DDAB C[C@@H]1CCC[C@@H](OCC(=O)N[C@H](C)CCN2CCOCC2)C1 110594059 ABRDHZFHUWCCNY-BZUAXINKSA-N 312.454 1.809 0 40 DDAB COc1ccc(CCNC(=O)C(=O)N2CCCCCC2)cc1 59435623 ULTGZZPFXIDQGB-UHFFFAOYSA-N 304.390 1.757 0 40 DDAB Cn1nc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2c1=O 101728530 LVPBZMYCBWTTRQ-RWMBFGLXSA-N 309.369 1.876 0 40 DDAB C/C=C/C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 23261062 PIMQNSMQFZTXSV-PGLGOXFNSA-N 305.330 1.754 0 40 DDAB Cn1ccnc1COc1ccc(CSc2nnnn2C)cc1 42571273 BNPDYKWUKWSZRT-UHFFFAOYSA-N 316.390 1.815 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)n1 54674116 IZGDHNPSDUVIGR-ZDUSSCGKSA-N 317.393 1.677 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCOC3)CCO2)n1 76046280 MLMYYFAHSTWZJI-GHMZBOCLSA-N 308.382 1.039 0 40 DDAB Cc1cccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)n1 108531032 RABKVEORXZSIDD-UHFFFAOYSA-N 309.435 1.294 0 40 DDAB O=C(O)C1=C[C@@H](c2ccccn2)n2nc(C(F)(F)F)nc2N1 102335947 YGWPQDNRIURNTO-QMMMGPOBSA-N 311.223 1.675 0 40 DDAB O=C1CCN(CC(=O)N2CCCC[C@@H]2c2nccs2)C(=O)N1 76016976 NPWNNDORESXZCF-SNVBAGLBSA-N 322.390 1.139 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 106049411 QFPWWYZXBGVEJW-WDEREUQCSA-N 324.402 1.369 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1cnn(C)c1 25310681 RZKWRGNZGPPQJK-UHFFFAOYSA-N 311.345 1.467 0 40 DDAB COC(=O)[C@H](C)N1CCCN(C(=O)Oc2ccccc2)CC1 78700123 ZEHPHSYPCFZADZ-ZDUSSCGKSA-N 306.362 1.755 0 40 DDAB COc1ccc(CCC(=O)NCCCN2CCOCC2)cc1 23379341 AVNOQKFKWLQSFJ-UHFFFAOYSA-N 306.406 1.466 0 40 DDAB Cc1cc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c2[nH]1 57520784 URUCOGAKHSWNOA-UHFFFAOYSA-N 318.358 1.561 0 40 DDAB CN(CC1CC1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 47919809 NKNGMWLVXOEYSW-UHFFFAOYSA-N 308.403 1.709 0 40 DDAB CCOC(=O)[C@@H](N)[C@]1(N2CCOCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635540 SWNZLWUXFFBWHH-MJSCVDMRSA-N 324.465 1.794 0 40 DDAB COc1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)cc1 44648941 FVEHQVKEODTEHT-UHFFFAOYSA-N 305.378 1.457 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2F)CC1 27500640 BGDWBOLMBJVRSZ-CQSZACIVSA-N 322.384 1.167 0 40 DDAB C[C@H](NC(=O)CCc1ccccc1O)C(=O)NCc1ccco1 58281261 MUCYHPRFJHTIKJ-LBPRGKRZSA-N 316.357 1.739 0 40 DDAB COc1ccc([C@@H](O)CNC[C@H]2CNc3ccnn3C2)cc1 58327838 GRGFADYYVMVAOR-WFASDCNBSA-N 302.378 1.257 0 40 DDAB Cc1cc(C)cc(OCCC(=O)NC[C@H]2CN(C)CCO2)c1 58365165 QZDKRGFSXRURDT-INIZCTEOSA-N 306.406 1.519 0 40 DDAB CCOc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 24087813 WVQSXJLCWOXZAX-NSHDSACASA-N 322.361 1.155 0 40 DDAB C[C@@H](C(=O)NCc1ccnc(N2CCCC2)c1)n1cncn1 45239511 PGKQPQXZLPBHHU-LBPRGKRZSA-N 300.366 1.151 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)CCCOc1cccc(C(C)=O)c1 58637321 TYNZJHVSWCNSKF-LBPRGKRZSA-N 320.389 1.689 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 48127077 ZFVHXWAOTLMQGA-BBRMVZONSA-N 312.369 1.935 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)NCC(F)(F)F)cc1 3330344 HYRZIDCSUCZUMQ-QPJJXVBHSA-N 317.263 1.930 0 40 DDAB C[C@H]1CN(C(=O)COc2ncnc3ccccc23)C[C@H](C)O1 3399372 DUNLBNKKNFNJBO-RYUDHWBXSA-N 301.346 1.644 0 40 DDAB CN1CCC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1 63527798 DPBMAEAMNNQOFJ-UHFFFAOYSA-N 312.410 1.932 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](c1ccsc1)N(C)C 48313777 LXMRKXXXZJFOCU-GXTWGEPZSA-N 321.450 1.935 0 40 DDAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 3449223 RJPBJVIUALRGJV-NSHDSACASA-N 309.288 1.022 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 3487615 VCEGGXGCIXCHOQ-ZDUSSCGKSA-N 303.362 1.900 0 40 DDAB CCN(CC)c1ncc(CNCCCS(C)(=O)=O)s1 38047608 STDNILSNVYKPQK-UHFFFAOYSA-N 305.469 1.514 0 40 DDAB COCCN1CCCN(C(=O)COc2cccc(C)c2)CC1 48426162 AUEVKVFMMWLXJL-UHFFFAOYSA-N 306.406 1.555 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnc(C)cn1)c1cc(F)ccc1F 69518661 GBVWJMDXQHWFJF-ZDUSSCGKSA-N 321.283 1.707 0 40 DDAB c1cnc(N2CCC[C@H](CNc3ncnc4[nH]cnc34)C2)nc1 91687616 JDQDRGBPMHPPOQ-LLVKDONJSA-N 310.365 1.471 0 40 DDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCC)C(=O)[C@H]13)O2 4044221 PVOCUWNFIPNMEB-XJIUQZFPSA-N 307.390 1.912 0 40 DDAB biogenic C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 69653072 CVHPSHJEIQRWHY-GDBMZVCRSA-N 309.454 1.302 0 40 DDAB O=C(CCNc1ncccn1)N1CCC[C@H](n2ccnc2)C1 69656660 MAQDVNMSEISNDR-ZDUSSCGKSA-N 300.366 1.339 0 40 DDAB CN(C)c1ncccc1CNC(=O)NCCN(C)C1CCCC1 69876838 OKZSCHNSZRISJZ-UHFFFAOYSA-N 319.453 1.821 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1Cc3ccccc3O1)C2 69879645 BUOQOFSYXUSFHS-CQSZACIVSA-N 312.373 1.747 0 40 DDAB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O 4218166 BXPACRLYOPBGRM-MRXNPFEDSA-N 302.330 1.706 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469420 NLQPVUFNTZMJJK-LBPRGKRZSA-N 309.410 1.792 0 40 DDAB C[C@H](CNC(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1 14093620 SXAFREZQHZUWEN-GHMZBOCLSA-N 305.407 1.611 0 40 DDAB COc1cc(C)ccc1OCCC(=O)N1CC[C@@H](C(N)=O)C1 65549058 QXLIEMMFUZZMJL-GFCCVEGCSA-N 306.362 1.106 0 40 DDAB COc1ccc([C@H]2CCCN2Cc2nc(N)nc(N)n2)cc1 14158237 MHLXMMPZWIGRCM-GFCCVEGCSA-N 300.366 1.382 0 40 DDAB CCCn1c(S[C@H](C)C(=O)N2CCCCCC2)n[nH]c1=O 7364959 IIUPZSRCBUSNPT-LLVKDONJSA-N 312.439 1.865 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(=O)[nH]n2)cc1 80525447 QWUIUZWMUGJPSC-BBRMVZONSA-N 313.357 1.728 0 40 DDAB CC(C)CCNC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 9059913 GSQZTWLGDMKHME-UHFFFAOYSA-N 316.409 1.732 0 40 DDAB CCc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 91021465 KSOAXDHVAFGJAR-UHFFFAOYSA-N 307.375 1.718 0 40 DDAB C[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)Cn1cccn1 81487521 PZOZFQFIRNJJMN-ZYHUDNBSSA-N 320.315 1.228 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)N1CC[C@@H]([C@H](C)O)C1 96003352 HHEQZSPMUZDNTA-GXTWGEPZSA-N 321.373 1.506 0 40 DDAB COCCN1CC[C@H](NC(=O)NCc2nc(C)c(C)s2)C1 96440585 CGJXGIIDHGGUKS-LBPRGKRZSA-N 312.439 1.280 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1 71897078 ZMRLZDFWLVJGRB-TZMCWYRMSA-N 314.389 1.746 0 40 DDAB CCOc1nnc(CN2CCO[C@@H](c3nc(CC)n[nH]3)C2)s1 83830199 VLEYSXSDKFGQAQ-SECBINFHSA-N 324.410 1.191 0 40 DDAB Cn1cc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cn1 71915673 FBIDHCBCLVKXPR-UHFFFAOYSA-N 313.405 1.457 0 40 DDAB O=C(NC1CC1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 9606145 RSHYZDWSWRAJKN-NSHDSACASA-N 311.428 1.858 0 40 DDAB CCOC(=O)c1ccc(CN[C@@H]2CCc3nc(C)nn3C2)o1 97032940 FLLATBURQRVIQO-LLVKDONJSA-N 304.350 1.461 0 40 DDAB C[C@H](O)CC(C)(C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1 87422579 VTKSUYCSMYSFPA-STQMWFEESA-N 312.454 1.985 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1 97146968 IQAZIDFBIRGXBR-GFCCVEGCSA-N 307.712 1.831 0 40 DDAB CC(C)(CO)CCCNC(=O)N1CCC2(CC1)OCCO2 72313665 KPKXGPDKOQWKPM-UHFFFAOYSA-N 300.399 1.334 0 40 DDAB CC(C)c1noc(CCNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1 97378852 XZEMDMMMOZQGML-QWHCGFSZSA-N 322.409 1.992 0 40 DDAB C[C@H]1C[C@@H](NCCNS(=O)(=O)Cc2ccon2)CC[C@H]1C 97379725 DZDOWNJUMAWDKQ-AGIUHOORSA-N 315.439 1.508 0 40 DDAB Cc1cccc2c1N(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)CC2 95447759 QNWYQAZIJMHRMX-UHFFFAOYSA-N 321.336 1.728 0 40 DDAB CC(=O)NC1(C(=O)NCc2c(C)cc(C)[nH]c2=O)CCCCC1 75121925 XGHVCOBHWGRZIC-UHFFFAOYSA-N 319.405 1.447 0 40 DDAB Cc1nnc(CN2CCN(c3nc4ccccc4o3)CC2)n1C 171545928 RKIZKDHYEQNIJS-UHFFFAOYSA-N 312.377 1.587 0 40 DDAB O=C([C@H]1CN(Cc2ccoc2)Cc2cncn21)N1CC(F)(F)C1 306141212 VONOLEKLFKJADL-CYBMUJFWSA-N 322.315 1.511 0 40 DDAB c1cn2[nH]c(=N[C@H]3CCN(Cc4cscn4)C3)ccc2n1 548022400 MMIOOUMDSQFQLG-NSHDSACASA-N 300.391 1.294 0 40 DDAB O=C(OC[C@H]1CCCO1)[C@H]1CSCN1C(=O)c1ccccc1 78411182 SRPSTDSNXYYYHY-ZIAGYGMSSA-N 321.398 1.924 0 40 DDAB O=C1O[C@H](C(=O)Nc2ccnc3ccnn23)Cc2ccccc21 78717214 WLBCNDOVMOLCQZ-LBPRGKRZSA-N 308.297 1.450 0 40 DDAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)c2cscn2)n1 72388474 DVFFGAJDEGBFKC-CQSZACIVSA-N 303.391 1.975 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 79410007 VOYHZWJTSDQRTP-OLZOCXBDSA-N 313.442 1.733 0 40 DDAB Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)no1 48985375 RQUORXXKTBBVTA-NSHDSACASA-N 317.320 1.791 0 40 DDAB CCO[C@H]1C[C@](O)(CNC(=O)c2c(C)nn(C)c2C)C1(C)C 191792942 YVXFRISNSMNIJM-LRDDRELGSA-N 309.410 1.333 0 40 DDAB CCn1cnc2c(N3CCN(c4ccccn4)CC3)ncnc21 299591291 JXELBFWNTVPYLN-UHFFFAOYSA-N 309.377 1.568 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC(C)(C)C)CC2=O)cc1OC 44666947 RXOHEGKVDQXXHA-LLVKDONJSA-N 320.389 1.971 0 40 DDAB COc1cccc(-c2ncc(C(=O)O)c(N3CCOCC3)n2)c1 49469332 VOVBKEQMXRXCJY-UHFFFAOYSA-N 315.329 1.687 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCCSc1ncn[nH]1 222970484 PMFLHIYJFXFWRB-UHFFFAOYSA-N 312.782 1.745 0 40 DDAB O=C(NCCc1ccccn1)C(=O)Nc1ccc(F)cc1F 42645852 LTNASAKEKCULST-UHFFFAOYSA-N 305.284 1.657 0 40 DDAB O=C(NCc1cccs1)N1CC[C@H](Oc2cnccn2)C1 225796563 PVWUHOZZZSNYCC-NSHDSACASA-N 304.375 1.901 0 40 DDAB c1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 96047725 BBUFIYUDWGHPGR-DOTOQJQBSA-N 311.389 1.717 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccnnc4)CC[C@@H]3O2)n1 96070544 HLDRGOSNYRTTDK-RWMBFGLXSA-N 315.333 1.160 0 40 DDAB CCOC(=O)[C@]12CCCN(CC3CC3)C[C@H]1CN(C(C)=O)C2 96056018 XPZGSRHRNSIANA-RDJZCZTQSA-N 308.422 1.520 0 40 DDAB CCn1cc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cn1 97377371 CRHIBERZPQOKSR-UHFFFAOYSA-N 323.360 1.410 0 40 DDAB c1cnc(N2CCO[C@H]3CN(Cc4cccs4)C[C@H]32)nc1 96054426 GRUGVVHWGDVCDZ-KGLIPLIRSA-N 302.403 1.628 0 40 DDAB CN(C)c1ncc(-c2cc(C(=O)N3CCCO3)n(C)c2)cn1 96037555 YOIRVAPWVSWCAF-UHFFFAOYSA-N 301.350 1.326 0 40 DDAB O=C(N1CCCC1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058691 LZGYNAWLCDGDEC-CYBMUJFWSA-N 316.405 1.597 0 40 DDAB O=C(C1CC1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245326 FODNLSLOBGDJQE-HIFRSBDPSA-N 302.349 1.653 0 40 DDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccnnc1 96067661 PEDNEQDGCQZNNT-OAHLLOKOSA-N 324.384 1.336 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96106734 IEWIHYSXLHUGPH-AWEZNQCLSA-N 305.378 1.766 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)on1 96219152 DBURCXRAQHGSQK-GMXVVIOVSA-N 318.333 1.147 0 40 DDAB NC1(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)CCCC1 257303226 SGGUWSUIZUOXPV-GFCCVEGCSA-N 304.394 1.258 0 40 DDAB Cc1ncoc1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257294925 QWHOEIKHSCADNZ-MRXNPFEDSA-N 316.361 1.091 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2occc2C)Cc2ccnn21 253478841 NIJUUZBQDBMPIN-LBPRGKRZSA-N 302.334 1.118 0 40 DDAB Cc1nc(N)cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 257253672 JZUMDYAUXSSDOS-CQSZACIVSA-N 318.402 1.893 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2nccs2)n1 257267229 MGLRWMJGDBSKHM-NSHDSACASA-N 305.407 1.857 0 40 DDAB Cc1nc(C[C@@H]2CCCN(C(=O)C(C)C)C2)cc(C(N)=O)n1 257327046 WZRHXMYSECBMGC-LBPRGKRZSA-N 304.394 1.321 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 257326691 WYFCMHKNXRVLPN-ZDUSSCGKSA-N 300.318 1.099 0 40 DDAB Cc1cc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)ccn1 257258529 KUJRRFRHQSVHMP-MRXNPFEDSA-N 314.389 1.885 0 40 DDAB CCCCc1noc(CN[C@H](C(=O)NC)c2ccccc2)n1 58223720 VZVMENTZMVQHBL-HNNXBMFYSA-N 302.378 1.989 0 40 DDAB O=C(NC[C@H](O)COc1cccc(F)c1)c1ccccc1O 56668721 IEJSHTPSSQFRQH-LBPRGKRZSA-N 305.305 1.701 0 40 DDAB O=C(CCSc1ccccc1F)N1CC[C@@H](c2nn[nH]n2)C1 1548499921 ZPCRETFHQGPEKH-SNVBAGLBSA-N 321.381 1.837 0 40 DDAB C[C@@H](CC(=O)Nc1cc[nH]n1)S(=O)(=O)c1ccc(F)cc1 69893896 FDNNJNOWLWBPGU-VIFPVBQESA-N 311.338 1.740 0 40 DDAB CCCCn1nnnc1CN1CCC[C@H]1c1noc(CC)n1 72279350 AMGOIXUTPCAPMI-NSHDSACASA-N 305.386 1.756 0 40 DDAB CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 76017351 JSFIIZFDUKPYRA-OCCSQVGLSA-N 307.394 1.389 0 40 DDAB CC(=O)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615158003 DHPFJUKUIMJPTR-DLBZAZTESA-N 321.417 1.752 0 40 DDAB Cc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 11204964 XRMSTLJQWAQPHY-UHFFFAOYSA-N 324.427 1.563 0 40 DDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccon1 11331837 PPYQDEKBPWTXMH-UHFFFAOYSA-N 313.269 1.312 0 40 DDAB O=C(Cn1nc(-c2ccncc2)oc1=O)N1CCc2ccccc21 12115889 VOZPEPDBDMYXIO-UHFFFAOYSA-N 322.324 1.488 0 40 DDAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnccn1 12182689 IYLAIUJIIOEURL-CYBMUJFWSA-N 323.356 1.395 0 40 DDAB O=C(c1ccncc1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19404823 PAPNFWZCEZBZOF-AWEZNQCLSA-N 324.384 1.604 0 40 DDAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1nccs1 19657835 QIPNUVRKUQFTAH-UHFFFAOYSA-N 319.390 1.415 0 40 DDAB COc1cccc(C(N)=O)c1OS(=O)(=O)c1ccc(C)cc1 226307401 UGHGMLNDIHEPEE-UHFFFAOYSA-N 321.354 1.870 0 40 DDAB COc1cnc(N2CCC(COc3ncccn3)CC2)nc1 1889101401 RDHGOBSFAFIGEU-UHFFFAOYSA-N 301.350 1.571 0 40 DDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cnn(C)c1 14895517 OCMKGURKGMNUJA-UHFFFAOYSA-N 300.362 1.748 0 40 DDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(OC)c(C)c1 30335422 ZKEOIOJKYVVUOZ-UHFFFAOYSA-N 301.364 1.234 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cccnc2)C1 238878570 ORFFIAVEFBQWGB-NSHDSACASA-N 321.377 1.584 0 40 DDAB COC1(CC(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)CCC1 1565545396 HOUBLBRJEFUGRM-JKSUJKDBSA-N 324.465 1.903 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN([C@@H]2CCOC2)CC1 1565521996 HBZPDWCTKRKASD-HZPDHXFCSA-N 318.417 1.777 0 40 DDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)CC2CC2)C1 2055771573 JDZXITRSJJPWHG-INIZCTEOSA-N 304.394 1.089 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C 2055839555 NKYXEXDZDRZQPE-LBPRGKRZSA-N 324.450 1.419 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1 26881788 POFKMPMQGQBJPR-NSHDSACASA-N 323.370 1.976 0 40 DDAB c1csc(OC2CCN(Cc3nnc4n3CCC4)CC2)n1 2086875378 CKBIEYAJVSMUGY-UHFFFAOYSA-N 305.407 1.724 0 40 DDAB Cn1nccc1-c1cncc(CNC(=O)c2ccncc2F)c1 575617689 ZMCJYXPZRJAANS-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)C(=O)NCc2cccs2)o1 49026902 NYHFEFXQCXYSQE-LLVKDONJSA-N 308.359 1.116 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccc(Cn2ccccc2=O)o1 40488800 BHTAGHBOJNLATB-GFCCVEGCSA-N 302.330 1.398 0 40 DDAB Cn1cc(CCCSc2nnnn2Cc2ccco2)cn1 40554535 VUAZGHJJZSTJKZ-UHFFFAOYSA-N 304.379 1.773 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)N[C@H](CC(=O)O)c2ccccc2)n1 20615807 QKFVYHOTAGWFNF-LLVKDONJSA-N 317.301 1.064 0 40 DDAB CCOc1cc([C@H]2C=C(C(=O)O)Nc3ncnn32)ccc1O 101347669 GHJUSIXFJNHNQB-SNVBAGLBSA-N 302.290 1.366 0 40 DDAB C[C@H](NCC(=O)NCCOc1ccccc1)[C@H](C)n1cccn1 69741385 OBNSUHNIDAUZGW-GJZGRUSLSA-N 316.405 1.617 0 40 DDAB O=C(NCCc1ccco1)[C@@H](Cc1ccccc1)n1cnnn1 51865828 UGBMZEQJNRIOHA-OAHLLOKOSA-N 311.345 1.409 0 40 DDAB O=C(NC1CCN(C2CC2)CC1)c1c[nH]c2ccccc2c1=O 32923878 WCTVDVYPFMLDOW-UHFFFAOYSA-N 311.385 1.885 0 40 DDAB CCOc1ccccc1C(=O)N1CCN(c2ncccn2)CC1 2774286 QAXSVYQNGTXWJU-UHFFFAOYSA-N 312.373 1.838 0 40 DDAB COc1ccc2[nH]c3c(=O)n(CCCN(C)C)cnc3c2c1 525893 QDNXWCVIOUUSAV-UHFFFAOYSA-N 300.362 1.838 0 40 DDAB biogenic OCC1(NCc2nc(-c3ccoc3)no2)Cc2ccccc2C1 70008174 PRGGXQVSXPCEHT-UHFFFAOYSA-N 311.341 1.949 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)N[C@@H](C)C2)cc1F 70076642 VHHYLUWOSWPORF-UWVGGRQHSA-N 302.371 1.205 0 40 DDAB COc1ccc(CCNC(=O)c2cc(=O)c(OC)c[nH]2)cc1 16968338 LVACPLWHCGTPIM-UHFFFAOYSA-N 302.330 1.365 0 40 DDAB biogenic C[C@H](Cn1cc(Br)cn1)C(=O)NC[C@@H]1CCCO1 2803991 PNLMURVGHNBORP-KOLCDFICSA-N 316.199 1.577 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)Nc1nccs1 43163214 NHGZFQFMNQYIKK-UHFFFAOYSA-N 319.390 1.696 0 40 DDAB O=C(O)[C@@H](CNS(=O)(=O)c1cccs1)c1ccccc1 61609235 CZNBEVBLGLZIPA-NSHDSACASA-N 311.384 1.895 0 40 DDAB NC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 1428178 DMANICHCHOWBMO-UHFFFAOYSA-N 318.333 1.081 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)c3cccc(F)c3)c12 57279748 LJXWWNXTUXRDAU-UHFFFAOYSA-N 301.325 1.647 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@@H]1CCOC1 106846094 AZDIDSKRWWGUCN-SNVBAGLBSA-N 304.375 1.769 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)c1cc2c(C)nn(C)c2s1 35178438 CXFDQUIPERJENG-JTQLQIEISA-N 307.375 1.721 0 40 DDAB CCCCNC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 1784856 KOVHZJAKYKLCHJ-UHFFFAOYSA-N 320.418 1.648 0 40 DDAB CCN(Cc1ccccc1)C(=O)CNC(=O)C[C@@H]1CCCO1 57314690 RDODUVDOBOSZCX-HNNXBMFYSA-N 304.390 1.720 0 40 DDAB CCCNC(=O)Cn1c(Nc2cccc(F)c2)nc(C)cc1=O 57506332 DORDXQPAFFEKAS-UHFFFAOYSA-N 318.352 1.961 0 40 DDAB CCOCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)NC)cc1 58166219 XAMZPGGYSHHFKY-NSHDSACASA-N 309.366 1.818 0 40 DDAB COc1cccc([C@@H]2CCCN2CCCNS(C)(=O)=O)c1 58170895 CFNKWFWPRLETFR-HNNXBMFYSA-N 312.435 1.771 0 40 DDAB CCn1cnnc1CNC(=O)N[C@H]1CCOc2ccccc21 47866897 GXYCKJMHZOZKLA-LBPRGKRZSA-N 301.350 1.621 0 40 DDAB CCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1 58203502 WYMKQRUZTOBOOE-AWEZNQCLSA-N 324.446 1.738 0 40 DDAB CS(=O)(=O)Nc1cccc(CNC(=O)NC2CCCC2)c1 10356269 IPGZUHJMXVIOPU-UHFFFAOYSA-N 311.407 1.800 0 40 DDAB CC[C@@H](NCc1cccnc1OC)C(=O)Nc1cc(C)on1 28340426 YFOHMFLGSDMZPB-GFCCVEGCSA-N 304.350 1.894 0 40 DDAB C[C@H](Sc1nnc2ccccn12)C(=O)N1C[C@@H](C)O[C@H](C)C1 12617635 HNJATLWNJNZUAK-UTUOFQBUSA-N 320.418 1.846 0 40 DDAB C[C@@H](Sc1ccccc1)C(=O)NCCCN1CCN(C)CC1 22934870 DPPZUAHMAXSSDP-OAHLLOKOSA-N 321.490 1.921 0 40 DDAB CN(C)CCCNC(=O)CCc1nc(O)c2ccccc2n1 8686297 VTSUIRRRYPJICY-UHFFFAOYSA-N 302.378 1.336 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cn2ccc(C)cc2n1 48333255 QAESHNIPTZYHJD-LBPRGKRZSA-N 302.378 1.533 0 40 DDAB O=C(NCCc1nnc2n1CCCCC2)Nc1cccnc1 48300822 FQRKRWMOQRAYHK-UHFFFAOYSA-N 300.366 1.764 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N(C)C 48326274 LNSUYFTWICYSNP-LBPRGKRZSA-N 318.826 1.731 0 40 DDAB C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 63194276 BFVAMRPEMDJTHS-RNCFNFMXSA-N 304.362 1.855 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)N(C)Cc2ccco2)c1 69656177 RAWZIRNSUYGNDJ-UONOGXRCSA-N 304.394 1.982 0 40 DDAB CN(C)C(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 5060263 URDGYFNBCDFWPL-UHFFFAOYSA-N 316.382 1.951 0 40 DDAB FC(F)Oc1ccc(NC(=S)NN2CCOCC2)cc1 8581654 HUCRNSQYUDPJFC-UHFFFAOYSA-N 303.334 1.822 0 40 DDAB C[C@@H](C(=O)N1CCCN(c2nccs2)CC1)n1cccn1 65499512 QCDOMZNJZOWGAV-LBPRGKRZSA-N 305.407 1.640 0 40 DDAB Cc1cc(C)n(C[C@H](C)NCc2c(C)nn(C)c2N(C)C)n1 65552439 UZJPXFXLMLQPST-LBPRGKRZSA-N 304.442 1.786 0 40 DDAB CCNC(=O)COc1ccc(NC(=O)c2cscn2)cc1 65523488 SHLJUWKCEAVXKU-UHFFFAOYSA-N 305.359 1.910 0 40 DDAB Cc1ccc2oc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 5349145 IOVAHRBVRYGLRY-JTQLQIEISA-N 321.354 1.018 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCOc2ccccc2F)CC1 69969564 ZHBHZLPGMNEWRC-CQSZACIVSA-N 324.396 1.510 0 40 DDAB CCOc1ccc(C(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1 4505095 ZSFZBFNFILUKQJ-OAHLLOKOSA-N 311.403 1.735 0 40 DDAB CCN(CC)C(=O)CN(C)C[C@@H](O)COc1ccc(F)cc1 14238463 WMBVVCAUYBILKO-CQSZACIVSA-N 312.385 1.366 0 40 DDAB O=C([C@@H]1CCCCN1C(=O)c1ccccc1F)N1CCOCC1 66485881 SKXRLHSSULAZRX-HNNXBMFYSA-N 320.364 1.679 0 40 DDAB Cn1ccnc1[C@@H](Nc1ccc2nnnn2n1)c1ccccc1 8710017 SOVFFYUZJRJIFB-AWEZNQCLSA-N 306.333 1.454 0 40 DDAB COCCNC(=O)NC(=O)COc1cc(Cl)ccc1Cl 8750101 LKDDTEQEWGVBQG-UHFFFAOYSA-N 321.160 1.844 0 40 DDAB COc1cc(C(=O)NCCN(C)C(C)C)cc(OC)c1OC 71186326 ROAWPKBZDXSSNO-UHFFFAOYSA-N 310.394 1.782 0 40 DDAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccn(C)n1 90093821 AYCGYYLSGQMAKJ-UHFFFAOYSA-N 300.362 1.450 0 40 DDAB C[C@@H](NCCc1c[nH]c2ccccc12)c1c[nH]c(=O)n(C)c1=O 89904515 BHVHTXJHUWXODY-LLVKDONJSA-N 312.373 1.448 0 40 DDAB NC(=O)c1cncc(NCc2cn3cc(Cl)ccc3n2)n1 80767927 JPDWJHHHQNGIBJ-UHFFFAOYSA-N 302.725 1.489 0 40 DDAB O=C(c1cccc(Cl)c1)N1CCN(CCn2cccn2)CC1 62021972 ILGMFJHSPVSTFT-UHFFFAOYSA-N 318.808 1.995 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)NOCc2ccccc2)cc1 8096906 IOYIREZWIAOBGC-UHFFFAOYSA-N 305.355 1.952 0 40 DDAB CNC(=O)c1cccc(CCNC(=O)c2cccc3nn[nH]c23)c1 96004342 YZYHQRDQIBGDKU-UHFFFAOYSA-N 323.356 1.290 0 40 DDAB CCOc1ccc(C(=O)N2CCOC[C@@H]2c2noc(C)n2)cc1 96000937 BORWUUFRQOAEJC-CQSZACIVSA-N 317.345 1.990 0 40 DDAB COc1cccc(CNC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 9452792 KFUKCHLCPVYTIE-UHFFFAOYSA-N 315.373 1.644 0 40 DDAB Cc1ccnc2nc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)nn12 71796837 KQVISQCCXNBAJO-GFCCVEGCSA-N 311.349 1.144 0 40 DDAB Cc1cc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n[nH]1 78901979 PXXVUBYFMCSGIW-AWEZNQCLSA-N 314.389 1.676 0 40 DDAB Cc1c(NC(=O)NCC(=O)NC2CC2)cccc1OC(F)F 71854979 HQKFMXUOAWHSMY-UHFFFAOYSA-N 313.304 1.997 0 40 DDAB COc1cccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 71829712 XQJGSIALSUTHQO-OCCSQVGLSA-N 304.390 1.740 0 40 DDAB CN(CCNC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 83860921 DFALIRIPXRLVOR-AWEZNQCLSA-N 318.421 1.420 0 40 DDAB COc1ccnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1 71924290 DJLXZSLBKWPVSA-NSHDSACASA-N 317.345 1.556 0 40 DDAB O=C(CNC[C@@H]1CCCO1)Nc1nnc(-c2ccccc2)s1 97019766 DCGJIXMZLBYXRL-LBPRGKRZSA-N 318.402 1.912 0 40 DDAB Cc1ccc(C(=O)N(C)Cc2cnc(N(C)C)nc2)cc1O 97079849 JFIBFOGZCKSMFD-UHFFFAOYSA-N 300.362 1.829 0 40 DDAB O=C1NCCN(C(=O)c2ccon2)[C@H]1c1ccccc1Cl 97086596 GTYYTVCWNHRNOZ-LBPRGKRZSA-N 305.721 1.641 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 97046900 AQVKRSGBQDTVKO-JTQLQIEISA-N 323.201 1.648 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)o1 72271479 NIZRUQZGOUSUOH-SNVBAGLBSA-N 301.364 1.875 0 40 DDAB c1cnnc(N2CCC[C@@H]2CNCc2cn3ccccc3n2)c1 72276727 IEGZGSJBJGFDKW-OAHLLOKOSA-N 308.389 1.883 0 40 DDAB Cc1noc(C)c1CNC(=O)Cn1ncc2ccccc2c1=O 67760999 ZVJWGWIJUFLBBG-UHFFFAOYSA-N 312.329 1.318 0 40 DDAB O=C(COc1cccc(NC(=O)C2CC2)c1)NC1(C(=O)O)CC1 95989646 USVHHLMERLXQMD-UHFFFAOYSA-N 318.329 1.147 0 40 DDAB CS(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 95945083 DZTFKISIJFIGHD-VIFPVBQESA-N 320.296 1.462 0 40 DDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc(Cl)cc1 22592363 WEHHCSWUPCBRHH-LBPRGKRZSA-N 311.769 1.027 0 40 DDAB CC(C)n1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)cn1 75105814 GTDNAFDOTHVXLG-WCQYABFASA-N 308.382 1.070 0 40 DDAB O=C(NC[C@H]1CN2CCN1CC2)c1cc(Cl)sc1Cl 89762040 GISAXSGQKALXAC-QMMMGPOBSA-N 320.245 1.785 0 40 DDAB C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cn(C)cn1 89895864 VTYPZIVNXWTIQK-LLVKDONJSA-N 301.412 1.124 0 40 DDAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCCn2ncnc21 89857931 NDIJSHZUDQQVIU-UHFFFAOYSA-N 316.386 1.805 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)on1 548354514 RZERWVXJVCVUND-QWRGUYRKSA-N 323.328 1.017 0 40 DDAB Cc1ncsc1CN(C)c1nccc(=N[C@@H]2CCCOC2)[nH]1 548681386 IYNVNMQAQFCFEB-GFCCVEGCSA-N 319.434 1.891 0 40 DDAB CC(C)c1nccc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 517026399 RUIBOXCCBPWLLT-HNNXBMFYSA-N 302.382 1.223 0 40 DDAB CCOC(=O)CNS(=O)(=O)c1cc(Cl)sc1Cl 37565103 PFGMLKQQFVBMMG-UHFFFAOYSA-N 318.203 1.896 0 40 DDAB CNC(=O)c1ccc(NC(=O)CCCn2cnnn2)cc1Cl 524735225 IFSTYQMQWCMZPI-UHFFFAOYSA-N 322.756 1.105 0 40 DDAB COc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1OC 33452403 WJZDAQCDYPJFMY-PMGBHYCQSA-N 307.346 1.942 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1csc(Nc2cnccn2)n1 72384785 JBTOEZNULMFUFB-LLVKDONJSA-N 319.390 1.987 0 40 DDAB O=C(NC[C@H]1CNCCCO1)c1ncccc1C(F)(F)F 564727151 QHJFEIHYHHNBTH-SECBINFHSA-N 303.284 1.209 0 40 DDAB Cc1ncsc1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 78984885 AHWJWMOUXHMMQZ-ZANVPECISA-N 312.416 1.949 0 40 DDAB Cc1cccc(CNC(=O)c2c(O)n3cc(C)ccc3nc2=O)c1 226822216 MEIFBECMGUWHCZ-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@H](c1ccccc1)N1CCOCC1 195558578 IZUWTGSWCQNINA-RNIPGJKVSA-N 316.445 1.975 0 40 DDAB Cc1csc(CN2CC[C@H](N=c3ccc4nccn4[nH]3)C2)n1 570506956 VDPMHIIRRQPODX-LBPRGKRZSA-N 314.418 1.603 0 40 DDAB CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@H]1Cc2ccccc21 130995274 WVZDCKZULHSMBD-CQSZACIVSA-N 324.446 1.791 0 40 DDAB COc1cc(OC)c([C@@H](N)CC(=O)O)cc1Br 44216354 SGCNBWHVFAYVHK-QMMMGPOBSA-N 304.140 1.941 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1cnc(N2CCCC2)nc1 224273268 PQEZKUMMQOQGMH-UHFFFAOYSA-N 323.378 1.482 0 40 DDAB CCOc1nc(C)c(NC(=O)COc2ncccn2)c(C)n1 224335829 GSMHYLBXQYVLIM-UHFFFAOYSA-N 303.322 1.300 0 40 DDAB CN1CC[C@@H](NC(=O)c2ccccc2NCc2cccnc2)C1=O 81785829 WPGWSYAWMMYVFE-MRXNPFEDSA-N 324.384 1.654 0 40 DDAB COC(=O)CNC(=O)CSCc1nc2ccccc2s1 41780136 DOTDWPPFFRZYJE-UHFFFAOYSA-N 310.400 1.819 0 40 DDAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)N1CCOCC1 226851414 FKELAXFIXRIYMR-AWEZNQCLSA-N 315.373 1.807 0 40 DDAB Cc1nc2ccc(C(=O)N3CCO[C@H](C(=O)O)C3)cc2nc1C 532256021 GDMCTFDOMDXZHR-AWEZNQCLSA-N 315.329 1.172 0 40 DDAB Cc1cnc(C)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 195563941 PHGQPQFTYBZNNH-CQSZACIVSA-N 303.410 1.012 0 40 DDAB CCOC[C@]12COC[C@H]1CN(C(=O)c1cc(C)nc(C)c1)C2 96108687 CCAUZNVIGZHZML-NVXWUHKLSA-N 304.390 1.824 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(CC3CCCC3)C[C@H]2O1)N1CCOCC1 96066093 NSQIHPFLRBMLPY-GVDBMIGSSA-N 322.449 1.515 0 40 DDAB COc1ccc(S(=O)(=O)N2CC(NCc3ccco3)C2)cc1 97102503 IHEATJIJWVIPIY-UHFFFAOYSA-N 322.386 1.451 0 40 DDAB CSC1=NCCN1C(=O)Cc1c(C)nn(C(F)F)c1C 96454390 VWTUJRCKXZFASG-UHFFFAOYSA-N 302.350 1.999 0 40 DDAB CC(C)N(C)Cc1nnn2c1CN(Cc1cccnc1)CCC2 96084689 PZPLFKQLJXHGCJ-UHFFFAOYSA-N 314.437 1.919 0 40 DDAB Fc1cnc(N2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)nc1 96223382 NRGPTCNDLNBXTP-JSGCOSHPSA-N 304.329 1.208 0 40 DDAB CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1 96104833 JBNGIOOCXRZRNZ-NSHDSACASA-N 315.420 1.456 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)N1CCCC1 96045384 ZESUSIZQIMKMLS-CQSZACIVSA-N 319.409 1.450 0 40 DDAB CO[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)(C)C 96443816 YESLBHZIZPQELJ-UONOGXRCSA-N 310.438 1.812 0 40 DDAB C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(CC1CC1)CC2 96201612 GJGAZSPQXSSNQJ-CYBMUJFWSA-N 318.421 1.416 0 40 DDAB CCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 96254391 BNVMACWFHRAOIR-UHFFFAOYSA-N 323.393 1.966 0 40 DDAB CCS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)OC[C@@H](CO)O1 96531814 ZMBBQSLDOLHVFY-OLZOCXBDSA-N 320.794 1.335 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCS(=O)(=O)C2)s1 96413921 DHGLRZCWWWHEJZ-CMPLNLGQSA-N 315.460 1.929 0 40 DDAB CC(=O)N1Cc2ccccc2[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 96268305 DOXVWYLSCXSEEI-RDJZCZTQSA-N 309.369 1.985 0 40 DDAB COc1ccc(CC(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1 96201925 WXIBFUOSLQVBRH-GOSISDBHSA-N 318.417 1.418 0 40 DDAB CNCC1CCN(S(=O)(=O)c2cc(C)c(C)s2)CC1 97234941 DNMVTINMYYJXMC-UHFFFAOYSA-N 302.465 1.985 0 40 DDAB CN(C)CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2cccnc2)O1 96186675 DQAVKHZGIOWPRB-SQNIBIBYSA-N 319.449 1.782 0 40 DDAB NC(=O)CCCNC(=O)/C=C/c1csc(Br)c1 96407175 RWIYPTXNMFBHOD-ONEGZZNKSA-N 317.208 1.906 0 40 DDAB COCCn1cnnc1C1CCN(CC2(O)CCCCC2)CC1 257259055 KWQSJBVAPQDZHI-UHFFFAOYSA-N 322.453 1.799 0 40 DDAB COc1ccc([C@@H]2CNCCN2CC2(O)CCOCC2)cc1 257247982 JBMLLKPBGACLLH-INIZCTEOSA-N 306.406 1.183 0 40 DDAB CC(=O)N1CC2(CCN(Cc3nccs3)CC2)C[C@]1(C)CO 257332891 XZFMHLIHOMNOFC-OAHLLOKOSA-N 323.462 1.729 0 40 DDAB Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)n1 257244933 INJXYICQJATFKW-ZDUSSCGKSA-N 321.406 1.353 0 40 DDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)cc1 257313351 USBAYPITLYZOKJ-HZPDHXFCSA-N 304.390 1.109 0 40 DDAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCOCC1 253408870 YVXFRUIFKRVXMZ-VIFPVBQESA-N 308.359 1.929 0 40 DDAB biogenic,in-vitro COCCN1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 585112931 WWYUYCVAZDTLLA-GFCCVEGCSA-N 307.394 1.551 0 40 DDAB CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1COC[C@@H](O)[C@H]1O 585286031 HVTUDWNARRXNID-UTUOFQBUSA-N 320.172 1.186 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)C1CCC(F)(F)CC1 585277306 HYHAPCMZHBYASO-CQSZACIVSA-N 318.364 1.695 0 40 DDAB CCCn1ccc(C(=O)N2CCOC[C@H]2c2ncc(C)[nH]2)n1 585181453 JEAWANMVDWKUIO-ZDUSSCGKSA-N 303.366 1.538 0 40 DDAB CC(C)NC(=O)CNC(=O)NCCSCc1ccccc1 54400036 FMXOMMXNRJGIEG-UHFFFAOYSA-N 309.435 1.744 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3ccnc(C)n3)CC2)nn1 69653137 WZBIWGXPJPHFOA-UHFFFAOYSA-N 312.377 1.236 0 40 DDAB CN(CCc1ccncc1)CCn1cnc2ccccc2c1=O 95999369 HGTAYRHADWTOEX-UHFFFAOYSA-N 308.385 1.966 0 40 DDAB CCN1OC2(CCN(C(=O)c3cccc(OC)c3)CC2)CC1=O 1549163083 YNZBFKFYBZMAQK-UHFFFAOYSA-N 318.373 1.854 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@H](O)COCc1ccccc1 3471255 BQPGTZDMUJNXJZ-AWEZNQCLSA-N 311.337 1.860 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2ncoc2-c2cccc(F)c2)C1 12144654 DKAARLNFEZOCRJ-NSHDSACASA-N 317.320 1.818 0 40 DDAB COc1cc(C)c(NC(=O)CCN2C(=O)CCC2=O)cc1OC 12766508 SMRKTJNGQGFRIQ-UHFFFAOYSA-N 320.345 1.490 0 40 DDAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ncc[nH]2)C1 15674122 PUPDXGKCXYGCKM-OLZOCXBDSA-N 311.345 1.768 0 40 DDAB biogenic,in-vitro COC(=O)[C@@H](CCSC)NC(=O)NCc1ccc(F)cc1 16033554 CPBHEOSKWLEWTN-GFCCVEGCSA-N 314.382 1.920 0 40 DDAB O=C1C[C@@H](C(=O)Nc2ccc3ccccc3c2)n2ncnc2N1 17031505 QCPRDQJDAQDRSV-ZDUSSCGKSA-N 307.313 1.953 0 40 DDAB CN1CCN(C(=O)c2ccccc2)C[C@H](Cc2ccccn2)C1=O 19700822 WXKBRRJHUWJGRX-INIZCTEOSA-N 323.396 1.855 0 40 DDAB O=C(C[C@H]1Sc2ccccc2NC1=O)O[C@@H]1CCOC1=O 4546685 CKFGGRXLEIYZEQ-MWLCHTKSSA-N 307.327 1.348 0 40 DDAB COc1cc(N2CCN(c3nc4ccccc4[nH]3)CC2=O)ccn1 1888914232 CVOHZLQCMLWJDZ-UHFFFAOYSA-N 323.356 1.820 0 40 DDAB Cc1cncc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889095484 LHCVQHODWDTSDX-ZDUSSCGKSA-N 306.435 1.577 0 40 DDAB Cc1cc(C[C@H]2COCCN(Cc3noc(C)n3)C2)ncn1 1848355266 NOXIYFZPVVCSLV-CYBMUJFWSA-N 303.366 1.168 0 40 DDAB CC(=O)N1CCN(C(=O)c2nccn2C)C[C@H]1c1ccccc1 1848356788 LXEBAXBMMLWQKJ-HNNXBMFYSA-N 312.373 1.466 0 40 DDAB NC(=O)C1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 23991800 KWHLYANVWXBCKL-UHFFFAOYSA-N 304.325 1.573 0 40 DDAB O=C(O)CN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1CC1 37588925 IWZNOGQQVZHZQU-UHFFFAOYSA-N 306.343 1.420 0 40 DDAB CN1CCCC[C@]2(CN(Cc3ccc(F)cn3)CCO2)C1=O 2037980721 GFZDRGSNWUYVDV-INIZCTEOSA-N 307.369 1.434 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)N2CCCC2)cn1 2056225241 LLFHOQZMBFBNHH-CJNGLKHVSA-N 300.362 1.012 0 40 DDAB CCOC(=O)c1cn(CC(=O)NCCc2ccccc2F)cn1 953019500 KGPGYPGJKNRWNW-UHFFFAOYSA-N 319.336 1.558 0 40 DDAB CCc1cnc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)nc1 2086850352 XXUMQCMRBILSGJ-CQSZACIVSA-N 304.394 1.257 0 40 DDAB NCCCCCCN[C@@H](CC(=O)Nc1ccccc1)C(=O)O 5257653 DYRPSFNSKOIUPQ-AWEZNQCLSA-N 307.394 1.577 0 40 DDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 13724137 OBTHLUFHPJCVFO-UHFFFAOYSA-N 318.354 1.790 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 542124 JMMVFEXMFJPKAO-NFFDBFGFSA-N 319.744 1.799 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@@H]1c1ccc(F)cc1 40488750 JGPAITQCFCEDKE-CQSZACIVSA-N 314.382 1.540 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)CN(C)C2=O)c1C 40465547 TYPOMNYONBQJDZ-ZDUSSCGKSA-N 306.362 1.246 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)s1 40506196 KOBGRFVDNISVCY-LURJTMIESA-N 308.285 1.196 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cnn(C)c2)C1=O 40512504 OXJNFFPDRRTXIM-JTQLQIEISA-N 300.318 1.173 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(O)c(C(=O)O)c2)C1 20548143 LYQQRTBHFOAYER-NXEZZACHSA-N 313.375 1.757 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)c(F)c1 45896190 GXAJCKKHVRSAQH-NSHDSACASA-N 307.260 1.413 0 40 DDAB Cc1cc(C(=O)OCCN2CCOC2=O)c2c(C)noc2n1 29395346 RZBCYTIOMAQDAQ-UHFFFAOYSA-N 305.290 1.449 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)nc1 32295998 WACRYLCIFCNCLN-HNNXBMFYSA-N 319.405 1.494 0 40 DDAB COc1cc(/C=C2/N=C(C)OC2=O)cc(OC)c1OC(C)=O 325414 MGMFAWDKIPZJKC-VZUCSPMQSA-N 305.286 1.945 0 40 DDAB NS(=O)(=O)c1ccc(CNc2ncnc3ccccc23)cc1 32540772 GWPRSPQJPYBUHR-UHFFFAOYSA-N 314.370 1.889 0 40 DDAB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)c1ccccc1 101966061 CKETYMLHWZZHGX-OPYWOCCESA-N 300.310 1.610 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cccc2ccccc12 4227012 HGSBXHAYMXBNSO-GXTWGEPZSA-N 318.423 1.700 0 40 DDAB O=C(Cn1nnc(-c2ccco2)n1)NCCc1ccc(F)cc1 32769824 OSSMNPIQGNVHPG-UHFFFAOYSA-N 315.308 1.431 0 40 DDAB CCOc1cccc(NC(=O)CSc2nc(N)cc(O)n2)c1 4922780 ZEEMCHJVDWSIDS-UHFFFAOYSA-N 320.374 1.894 0 40 DDAB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1ccc2c(c1)OCO2 2650572 QLVSJYMAENQAKP-JTQLQIEISA-N 316.313 1.938 0 40 DDAB O=C(NCCCN1CCCC1)c1cnc(-c2ccncc2)nc1 102536353 OJFGFURHRVPINF-UHFFFAOYSA-N 311.389 1.754 0 40 DDAB Cc1ccc(C(=O)NCCNC[C@@H]2CNc3ccnn3C2)cc1 69534857 CDKRGSGRGFZEOB-CQSZACIVSA-N 313.405 1.253 0 40 DDAB O=C(O)CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O 100751472 ZDJUKAJXDZBLHX-IDMWBNCISA-N 303.358 1.685 0 40 DDAB Cc1nc(N[C@H](C(=O)O)[C@H](C)O)c2oc3ccccc3c2n1 540180 JLARVDCFFCLLEY-CPCISQLKSA-N 301.302 1.930 0 40 DDAB CC[C@@](C)(NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C(=O)OC 69739337 HXXNSBBAKZFUEO-WMLDXEAASA-N 318.373 1.422 0 40 DDAB O=S(=O)(NC[C@@H]1CCCN1)c1ccccc1Br 53254458 HPIIOCCLMJQJAX-VIFPVBQESA-N 319.224 1.479 0 40 DDAB CC[S@@](=O)CCNCc1cc(Cl)c2c(c1)OCCO2 75612344 CWMIIFHUWUUTCK-IBGZPJMESA-N 303.811 1.969 0 40 DDAB C[C@]12CC[C@@](C)(O1)[C@@H]1[C@@H]2[C@@]2(C)O[C@@]1(C)[C@H](C(=O)O)[C@@H]2C(=O)O 104595145 QIDVGQRHVGEPJG-ZDDJNBDASA-N 310.346 1.523 0 40 DDAB CC(C)c1cc(C(=O)NS(C)(=O)=O)c2cnn(C(C)C)c2n1 42278847 AQPXMFQNCRILSO-UHFFFAOYSA-N 324.406 1.825 0 40 DDAB NC(=O)CN(CC(=O)NCc1ccc(Cl)cc1)C1CCCC1 47274396 ZSTWDORAPLVHQO-UHFFFAOYSA-N 323.824 1.686 0 40 DDAB O=C(CCNC(=O)Cc1ccccc1)NCC[C@@H]1CCCO1 23189982 NQOYLJOQDQZZAO-HNNXBMFYSA-N 304.390 1.421 0 40 DDAB NCCC[C@H](NC(=O)OCc1ccccc1Cl)C(=O)O 54965140 QLMIHQAOCYVUQU-NSHDSACASA-N 300.742 1.758 0 40 DDAB CCOC(=O)N1CCC(NC(=O)CCc2cccnc2)CC1 23798807 HFQBOHYSPHNUCN-UHFFFAOYSA-N 305.378 1.751 0 40 DDAB O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCOCC1 34090537 RSEDAJBYGYYDDU-OAHLLOKOSA-N 318.373 1.646 0 40 DDAB CC[C@H]1C(=O)NCCN1CCc1nc(-c2ccccc2)no1 77318352 QFBSQESCANDEKY-ZDUSSCGKSA-N 300.362 1.490 0 40 DDAB CC/C(N[C@H](C)C1CC1)=C1/C(=O)NC(=S)N(CC(C)C)C1=O 102634454 QKTQUIYIZGISBG-LRZCVGBLSA-N 323.462 1.938 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831809 WEDLJPOUXKKRCL-YFHUEUNASA-N 310.482 1.826 0 40 DDAB CCOc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 55114412 NLSTWVNLJWHSAY-UHFFFAOYSA-N 304.390 1.742 0 40 DDAB COCC(=O)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 47994755 XWUNYENSRYPGDJ-UHFFFAOYSA-N 314.389 1.163 0 40 DDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1CN(C)C[C@H]1C 107058966 LGPHCKVWBFYXSQ-MFKMUULPSA-N 314.455 1.309 0 40 DDAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c(=O)[nH]c1=O 3291117 VCTBBMLAURVIIH-UHFFFAOYSA-N 314.345 1.306 0 40 DDAB COc1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OC)ccc1F 105837795 RARDBAJGFMINOJ-YDHLFZDLSA-N 309.337 1.853 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C[C@@H](O)c3cccc(F)c3)CCO2)n1 107503766 FJTNJIRPSPPAPD-KGLIPLIRSA-N 306.341 1.359 0 40 DDAB COC(=O)c1ccc(CNC(=O)CSc2nncn2C)cc1 3224820 ROQAXXVAYLHZDS-UHFFFAOYSA-N 320.374 1.010 0 40 DDAB CNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 21316286 NZJCKOVAHPAWSK-XYOKQWHBSA-N 300.318 1.848 0 40 DDAB C[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)CN1CCCC1=O 58004381 COVLAEZFNRAKLR-WFASDCNBSA-N 318.373 1.201 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 44720971 YABIZBLQMAZVDR-QMMMGPOBSA-N 305.758 1.644 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 58169255 CSCNCXSFAFCSKT-LBPRGKRZSA-N 308.403 1.838 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N(C)C 36078861 KEIPTYANUJHHDI-LLVKDONJSA-N 313.379 1.466 0 40 DDAB COC(=O)CCCN(C)C(=O)c1ccn(-c2ccccc2)n1 58266963 MRMIYBIMEFBQMN-UHFFFAOYSA-N 301.346 1.898 0 40 DDAB C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H](C(N)=O)O1 92007443 ASVHTRHKSDEISW-PELKAZGASA-N 320.286 1.919 0 40 DDAB NC(=O)COC(=O)C1CCN(c2nc3ccccc3o2)CC1 10653698 FXAURTVNAIGTAT-UHFFFAOYSA-N 303.318 1.073 0 40 DDAB Nc1nc(SCc2ccc(C(=O)N3CCCC3)cc2)n[nH]1 48252711 KGSMATHWIQDFQB-UHFFFAOYSA-N 303.391 1.915 0 40 DDAB COc1ccc(F)cc1C(=O)CNC(=O)NCC(F)(F)F 48333904 PWNOREVHCODYOV-UHFFFAOYSA-N 308.231 1.879 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCCC1 408683424 MWSPBEAJLFQLDB-DDHJSBNISA-N 304.390 1.420 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc12 69923481 FYUIUXXNWTXCNH-AWEZNQCLSA-N 310.361 1.977 0 40 DDAB CC(C)NC(=O)NC(=O)COc1ccc2ccc(=O)oc2c1 3598751 KPAWIDAWVDRHFO-UHFFFAOYSA-N 304.302 1.406 0 40 DDAB CN(CC(N)=O)C(=O)c1cc2cccc(Br)c2o1 49248621 JBLZNKWUZSMKCD-UHFFFAOYSA-N 311.135 1.753 0 40 DDAB CCCc1nc(C[S@](=O)CC(=O)NCc2ccccc2)no1 64824728 SFKKAFHGVUEHOK-JOCHJYFZSA-N 321.402 1.587 0 40 DDAB C[C@H](N1CCN(CC(C)(C)S(C)(=O)=O)CC1)C(F)(F)F 93883318 XZCSROKHGTYPSP-JTQLQIEISA-N 316.389 1.378 0 40 DDAB CC[C@H](CO)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 65390786 WYLZVWNNINMEII-KGLIPLIRSA-N 320.368 1.719 0 40 DDAB CCOc1ncnc2c1CN(CC(=O)NCc1ccco1)CC2 65462870 IQHBQOSGNDGNLZ-UHFFFAOYSA-N 316.361 1.143 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)[C@H](C)CO1 65437305 CRCLCQCDNJCDQG-CHWSQXEVSA-N 318.373 1.438 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 65512915 AMSPFUGQZXZYAY-IAGOWNOFSA-N 300.402 1.768 0 40 DDAB CCCn1c(SCC(=O)N2CCc3ccccc32)n[nH]c1=O 6482164 ZHDXRQXIKQEVEM-UHFFFAOYSA-N 318.402 1.663 0 40 DDAB CC(C)C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1 5440567 KYEYWALNUYLVDE-UHFFFAOYSA-N 304.346 1.951 0 40 DDAB COC(=O)c1cccc(Nc2nnc(C(C)(C)C)c(=O)n2N)c1 6585081 OPBWFBKPJAMAGW-UHFFFAOYSA-N 317.349 1.180 0 40 DDAB CCOC(=O)C[C@@H](c1ccsc1)c1oc(CO)cc(=O)c1O 71284779 FUFZXCAKMMKACP-NSHDSACASA-N 324.354 1.984 0 40 DDAB CCOC(=O)C1CCN(C(=O)CSc2nccc(C)n2)CC1 5517469 QZIQLGNGXJFFLI-UHFFFAOYSA-N 323.418 1.679 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1NC(=O)OC(C)(C)C 14983776 RHCVWDKJCGSONV-NXEZZACHSA-N 301.387 1.376 0 40 DDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 15398653 LMHZDBHFXBMPNT-MRXNPFEDSA-N 319.336 1.215 0 40 DDAB COc1ccnc(N2CCCN(c3cc(C)nc(C)n3)CC2)n1 80975008 YGKITRIBUDPZOQ-UHFFFAOYSA-N 314.393 1.609 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc(=O)[nH]c2ccccc12 16695510 GUEBCCWIMCOEAJ-UHFFFAOYSA-N 319.324 1.501 0 40 DDAB Cc1cccc(C(=O)NCCNC[C@@H]2CNc3ccnn3C2)c1 69454127 IFDBZYBWVVRDOH-CQSZACIVSA-N 313.405 1.253 0 40 DDAB CC(C)N1C[C@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CC1=O 71865229 IPHBZSZLNBXGHC-HUUCEWRRSA-N 318.421 1.521 0 40 DDAB Cc1noc([C@@H](NC(=O)CNC(=O)c2ccccc2)C(C)C)n1 71899713 LXVKKCPTZOTABT-AWEZNQCLSA-N 316.361 1.621 0 40 DDAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(OC)c1O 409030759 FDMUJPUICAJARQ-UITAMQMPSA-N 308.359 1.439 0 40 DDAB CN(CCOCC(F)(F)F)S(=O)(=O)c1cccs1 96501057 AHJJRKYWAZHUCP-UHFFFAOYSA-N 303.327 1.948 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(CCOC2CCCCCC2)C1 71913985 ZKGVELUPNDBHBE-AWEZNQCLSA-N 318.483 1.739 0 40 DDAB CCc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 72191566 XYXOTHDMHFFRAR-UHFFFAOYSA-N 320.374 1.807 0 40 DDAB COc1cccc(F)c1[C@@H](C)NCC(=O)Nc1nncs1 97033555 FLELIGMHUSWFLY-MRVPVSSYSA-N 310.354 1.975 0 40 DDAB Cc1cccc(CNC(=O)CN(C)C2CCS(=O)(=O)CC2)c1 79469708 WHDHIZNYRIYPBH-UHFFFAOYSA-N 324.446 1.120 0 40 DDAB Cc1ccc([C@@H](CNCc2ncc[nH]2)N2CCOCC2)s1 72273392 SAZUVMGPHXNEFP-CYBMUJFWSA-N 306.435 1.943 0 40 DDAB Cc1cnn(C2CN(Cc3cc(=O)n4c(C)csc4n3)C2)c1 72253831 UZQAAICJJKZEJB-UHFFFAOYSA-N 315.402 1.626 0 40 DDAB CC(C)(C)c1cnc(COC(=O)c2ccc3nnnn3c2)o1 97110905 PKAZHFXBHOLUDR-UHFFFAOYSA-N 301.306 1.767 0 40 DDAB O=c1[nH]nc(CCCNc2ncnc3cc(F)c(F)cc23)[nH]1 72307675 YLRWKQZROOTZKD-UHFFFAOYSA-N 306.276 1.364 0 40 DDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(C(N)=O)cc1 84714843 HASIHAPNYOEQJH-MLGOLLRUSA-N 315.417 1.522 0 40 DDAB COC(=O)c1ccc(Cn2c(-c3cccnc3)noc2=O)s1 95411110 ASJAOSWBDCDYFA-UHFFFAOYSA-N 317.326 1.795 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N[C@@H](CO)c2cnn(C)c2)o1 95444636 FQAMJOWEOUCPHK-SNKZMMRKSA-N 315.373 2.000 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)C1CC1 84823230 CHDQZYDGIOXKSE-HNNXBMFYSA-N 313.357 1.944 0 40 DDAB CS(=O)(=O)N1CCCN(Cc2ccc3ccccc3n2)CC1 73893823 AMONYOYDEUGGGF-UHFFFAOYSA-N 319.430 1.702 0 40 DDAB CN(CC(=O)NCCc1ccc2c(c1)CCO2)[C@@H]1CCSC1 95978713 XIOMTDMWAGUVAR-OAHLLOKOSA-N 320.458 1.718 0 40 DDAB C[C@@H](CCC(=O)O)NC(=O)c1cnn(Cc2ccccc2)c1 95991890 MJIQNKCCMTYNTL-LBPRGKRZSA-N 301.346 1.915 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CCc3cscn3)CCO2)n1 89289745 NEWKCTCYCVIJGX-LLVKDONJSA-N 321.406 1.356 0 40 DDAB Cc1csc(=O)n1Cc1cc(=O)n2cc(Cl)ccc2n1 89702607 QWKWKHSYFKSADK-UHFFFAOYSA-N 307.762 1.928 0 40 DDAB COc1c[nH]c(C(=O)NC(C)(C)c2nc(C)cs2)cc1=O 1548648819 UIPKQGKWEYFBQI-UHFFFAOYSA-N 307.375 1.814 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccncc3)C[C@H]2N1Cc1cccnc1 67897133 UJBMDUFEIQSRTE-SJORKVTESA-N 324.384 1.088 0 40 DDAB biogenic,in-vitro CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccccn3)[C@H](O)[C@H]2O1 22115854 BROBLMZLNSWKNT-IBEHDNSVSA-N 320.389 1.456 0 40 DDAB Cc1ccc(O)c(CN2CC[C@H](N=c3ccc4nccn4[nH]3)C2)n1 547696167 RNCMRTKBZBDLFF-ZDUSSCGKSA-N 324.388 1.247 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 74684157 KLMWTCCVRBSGIF-UHFFFAOYSA-N 313.405 1.703 0 40 DDAB COC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218544061 SVOMTJUNEIJFKV-GVXVVHGQSA-N 317.407 1.255 0 40 DDAB COc1cccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)c1 36056523 KBQZOQZWORZASV-MHORFTMASA-N 318.369 1.913 0 40 DDAB CCOC(=O)[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 217998885 JVPMPPWJNOMAAA-DGCLKSJQSA-N 317.794 1.394 0 40 DDAB Cc1cc(N2CCCC2)nc([C@H]2CCCN2S(C)(=O)=O)n1 72364662 VCDMWUIWXNZGSN-GFCCVEGCSA-N 310.423 1.482 0 40 DDAB Cc1c(Br)cccc1C(=O)N1CCCS1(=O)=O 76823241 OIWHNJUASVEJLM-UHFFFAOYSA-N 318.192 1.933 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC2CCOCC2)C1 189145380 OWEADKNOXVKGRK-ZIAGYGMSSA-N 318.483 1.453 0 40 DDAB C[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1cnn(C)c1 131246766 DJNZOPBVIQLDGS-LBPRGKRZSA-N 315.377 1.143 0 40 DDAB CN(C)c1ccnc(C(=O)N2CCNC[C@@H]2c2ccncc2)c1 567260678 MNGPITQRAYSCKJ-MRXNPFEDSA-N 311.389 1.329 0 40 DDAB COC(=O)c1ccc(OC)c(N2C[C@@H](C(=O)OC)CC2=O)c1 45953253 XHWXOAMFVKLBDU-JTQLQIEISA-N 307.302 1.008 0 40 DDAB Cn1cc([C@H]2CN([C@H](C(=O)O)c3ccccc3F)CCO2)cn1 573733385 HQQSIDBGQSNPLR-CABCVRRESA-N 319.336 1.758 0 40 DDAB Cc1nc(N2CCC(NCCO)CC2)nc(C)c1CC(C)C 568458309 YRTXOSXMVQULHR-UHFFFAOYSA-N 306.454 1.843 0 40 DDAB CC(C)[C@H](C(=O)NC[C@@]1(O)CCSC1)N1CCCCC1 82967239 SUXNMHXYVGDVQT-HIFRSBDPSA-N 300.468 1.481 0 40 DDAB CN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 226056583 JAXLROCXFRUJIT-UHFFFAOYSA-N 316.398 1.609 0 40 DDAB CC(C)(CO)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 199403265 CLANZKVZTXFXFD-UHFFFAOYSA-N 308.397 1.925 0 40 DDAB Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)o1 96052281 KTIYUUNGQLRBBI-SJORKVTESA-N 308.422 1.900 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 96186089 HLOBLFYWRSBTIW-JYJNAYRXSA-N 317.389 1.665 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1ccoc1)C2 96198579 ZNUMWUFEUQKWJO-CQSZACIVSA-N 302.378 1.934 0 40 DDAB Cc1nncn1CCNC(=O)Cc1cccc(Br)c1 96445332 ZBPBCLUZDKGMGT-UHFFFAOYSA-N 323.194 1.708 0 40 DDAB O=C(NCCCSc1nnnn1C1CCCC1)C(F)(F)F 96475791 KWGCRGXZTGCKGH-UHFFFAOYSA-N 323.344 1.949 0 40 DDAB CN(C)c1cnc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)cn1 332406350 ZVNHAYQESIFFKV-GFCCVEGCSA-N 316.336 1.935 0 40 DDAB CS[C@@H](CO)[C@H](C)NC(=O)Cc1ccc(-n2cccn2)cc1 96481356 CDKUEQMIXRZCCW-WFASDCNBSA-N 319.430 1.643 0 40 DDAB CN(C)C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109027 HERWJPISKBVEKO-CJNGLKHVSA-N 305.378 1.228 0 40 DDAB COCCC(=O)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202277 QNNHZFWZQFGWDI-KRWDZBQOSA-N 319.405 1.173 0 40 DDAB O=S(=O)(Cc1cccc(Br)c1)c1cn[nH]n1 97233317 VRVGUZJEKXENPQ-UHFFFAOYSA-N 302.153 1.541 0 40 DDAB CC(C)N(C)C[C@H]1CN(c2ncccn2)Cc2nccn2C1 96188312 XNZWWKRIDBCTHW-CQSZACIVSA-N 300.410 1.650 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccccn3)C2)c1F 253473173 RYLBGFXMWLVLAS-LLVKDONJSA-N 316.336 1.867 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257208322 BLRNPPUTAUMTHH-BBRMVZONSA-N 303.362 1.110 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)C3(C)CCN(C)CC3)CCO2)n1 257262332 LKZAQVBXSUOICJ-ZDUSSCGKSA-N 306.410 1.350 0 40 DDAB COCc1c(C(=O)N2CCC[C@H]2c2ccnc(O)n2)noc1C 257297552 RHUHYBBJPAJABC-LBPRGKRZSA-N 318.333 1.602 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 257313545 UTCBOSUUUJHABO-ZDUSSCGKSA-N 324.388 1.489 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(C(=O)O)cc1F 261985532 XCRGHIHDNABDSQ-UHFFFAOYSA-N 321.308 1.892 0 40 DDAB NC(=O)N1CCC(C(=O)NCC2(c3ccccc3)CC2)CC1 42007875 XCGLYDXOZLTQNS-UHFFFAOYSA-N 301.390 1.625 0 40 DDAB CC(C)CC(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@H]1C 585096236 CJQJDVNZGRNIGS-GFCCVEGCSA-N 306.410 1.971 0 40 DDAB Cc1nnc(NC(=O)C2CCN(C(=O)NC3CC3)CC2)s1 42384715 VZCKDULAOVMOCU-UHFFFAOYSA-N 309.395 1.369 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@@]2(CCCO2)C(=O)C1 585288696 HVNHFGPFKZTAKM-INIZCTEOSA-N 307.321 1.555 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1ccccc1C)NC(=O)N2 11665612 VAGWYTRNOBDFCC-HNNXBMFYSA-N 315.373 1.482 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCn2ncccc2=O)cc1C 11856342 IGJXWRGBURGCSL-UHFFFAOYSA-N 321.402 1.147 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CC3)n2)o1 12182870 ZLOSGAWHUWHDKP-SECBINFHSA-N 302.334 1.234 0 40 DDAB O=C(NC[C@@H]1CCCN(C(=O)c2cccnc2)C1)c1ccco1 12184872 GRFVXNXVRACOAE-ZDUSSCGKSA-N 313.357 1.957 0 40 DDAB Cc1ccccc1-c1ocnc1C(=O)N1CCC[C@H](C(N)=O)C1 12338297 XOZCCXSYISHKFN-LBPRGKRZSA-N 313.357 1.988 0 40 DDAB CCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)CC 13583937 LRBZXRQTPFRLBG-UHFFFAOYSA-N 310.419 1.929 0 40 DDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 15746648 GZIZQJIGTHWOFL-RSLMWUCJSA-N 305.286 1.232 0 40 DDAB O=C(c1ccc2nc[nH]c2c1)N1CC[C@@](O)(CN2CCCC2)C1 1848356791 MKVOAQHTCCUMPY-QGZVFWFLSA-N 314.389 1.236 0 40 DDAB Cn1cc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cn1 25119463 KUPTWQHSLBDQNM-UHFFFAOYSA-N 313.313 1.263 0 40 DDAB O=C(/C=C/c1cccnc1)N1CCN(c2nccs2)CC1 30981421 VNUPRRWJKCJQAK-ONEGZZNKSA-N 300.387 1.900 0 40 DDAB CC(C)N1CCO[C@@H]2CN(C(=O)CCc3ccc[nH]3)CC[C@@H]2C1 1565545077 XOFRIEZKLMQROC-NVXWUHKLSA-N 319.449 1.905 0 40 DDAB CCCCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 5252388 BAMPZUDCMBNKJY-UHFFFAOYSA-N 317.389 1.841 0 40 DDAB Cn1cc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C 15082296 RQGCENHTWQDIEY-UHFFFAOYSA-N 303.749 1.896 0 40 DDAB O=C(NC1CCCC1)c1noc2c1C[C@H](NC(=O)C1CC1)CC2 2055746195 YBBOQPSHETYJBG-GFCCVEGCSA-N 317.389 1.731 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)C(C)(C)C)CC1 2055772231 KSXJTBDDCXTRHY-UHFFFAOYSA-N 306.410 1.335 0 40 DDAB O=C(NCCCn1cccn1)[C@@H]1CCCN(c2cnccn2)C1 30164998 UDZHWRCWBUKVCY-CQSZACIVSA-N 314.393 1.096 0 40 DDAB COc1ccc(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1F 40467513 OCHOGTSSMYTDND-LLVKDONJSA-N 315.366 1.022 0 40 DDAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 40511916 DYILMNCKWCBYJI-VIFPVBQESA-N 301.268 1.739 0 40 DDAB C[C@@H](CNC(=O)c1nccnc1N)N1CCc2sccc2C1 40512338 XGHPOZYLBZPLCD-JTQLQIEISA-N 317.418 1.297 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Cl)cc1 65627 DZGNVWGIODILIW-NSHDSACASA-N 305.725 1.788 0 40 DDAB CCC[C@H](NCC(=O)N1CCSc2ccccc21)C(=O)O 36839814 IOUOMYYMBBRTNJ-NSHDSACASA-N 308.403 1.968 0 40 DDAB COc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1 411233 AARJAUGVKVDRTO-UHFFFAOYSA-N 309.329 1.987 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)c1 70036531 KASDOAOXWIPKKM-OAHLLOKOSA-N 315.421 1.776 0 40 DDAB COc1cc2ccccc2cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 17636286 DIXIAAMMOJDTLM-CYBMUJFWSA-N 319.382 1.765 0 40 DDAB COCCc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)no1 69776141 LRKPDSJNEGNFQG-UHFFFAOYSA-N 319.317 1.211 0 40 DDAB COc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)c1O 2540052 KYEDQSPMZFJTCW-ZDUSSCGKSA-N 315.325 1.827 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 32409842 PUKIFUMFCZYPCX-UHFFFAOYSA-N 314.382 1.377 0 40 DDAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(NC(=O)c1ccncc1)C2=O 3151211 YBFKDDUDQWANQK-MEDUHNTESA-N 301.346 1.538 0 40 DDAB O=C(O)c1cc(NC[C@H](O)COc2ccccc2)ccc1O 3194581 DAKCOFMNVPCBIF-LBPRGKRZSA-N 303.314 1.942 0 40 DDAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1cc(C)on1 3394817 DXCFSIUFGOXIOA-UHFFFAOYSA-N 320.301 1.796 0 40 DDAB CCc1ccc(-n2nc(CO)c(C(=O)N[C@@H](C)CC)n2)cc1 21173178 TVQIOUGXGHOSDX-NSHDSACASA-N 302.378 1.850 0 40 DDAB CCNC(=S)N(CCO)Cc1cc2cccc(C)c2[nH]c1=O 4131762 CWEWQSVTTRRTJF-UHFFFAOYSA-N 319.430 1.525 0 40 DDAB Cc1csc(CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)n1 29885976 DBBGSNHYRKAGHL-UHFFFAOYSA-N 317.370 1.589 0 40 DDAB CCN1C(=O)C[C@@H](Nc2cccc(N3CCCC3=O)c2)C1=O 32771804 NBFDQDQCUHLBTI-CYBMUJFWSA-N 301.346 1.373 0 40 DDAB O=C(CN1CCC(N2CCCCC2)CC1)NC[C@H]1CCCO1 4401532 DGTFMJDHJBQXLU-MRXNPFEDSA-N 309.454 1.232 0 40 DDAB CCOC(=O)/C(C(N)=S)=C1\NN=C(Cc2ccccc2)O1 100955235 BINPEDTYCSAHBS-ACCUITESSA-N 305.359 1.223 0 40 DDAB C[C@@H](CNC(=O)c1ccc2ncsc2c1)N1CCOCC1 29957824 VMZAKRKMIMVKCT-NSHDSACASA-N 305.403 1.747 0 40 DDAB CN(C)C(=O)CN(C)C(=O)CCc1nc(-c2ccsc2)no1 52552181 ZPUMALSPOKKJBB-UHFFFAOYSA-N 322.390 1.277 0 40 DDAB C[C@@]1(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)CCCO1 89919355 NBDXBBOMJZBRQM-JKSUJKDBSA-N 310.369 1.902 0 40 DDAB COCCOCC(=O)NCc1ccnc(OC2CCCC2)c1 46853442 GKRNJJPVBLYVMK-UHFFFAOYSA-N 308.378 1.682 0 40 DDAB CCN1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 22030306 KDBLSYDPJYQVRX-HNNXBMFYSA-N 312.841 1.855 0 40 DDAB Cc1ccc(C(=O)OCCn2cnc3ccccc3c2=O)cn1 22468562 UDOFXMWKVLYRNM-UHFFFAOYSA-N 309.325 1.957 0 40 DDAB CC(C)C[C@H](C(=O)NC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 22515775 JVAOWNDOYAQKMM-MELADBBJSA-N 306.406 1.877 0 40 DDAB C[C@H]1C[C@@H](N2CCCN(Cc3noc(C4CC4)n3)CC2)C(=O)O1 75603309 HQAYEMUZLCWJDD-WCQYABFASA-N 320.393 1.159 0 40 DDAB Cc1ccc([C@@H](CNCc2cnn(C)c2)N2CCOCC2)s1 75603907 YNNRSHWTTFHQTO-OAHLLOKOSA-N 320.462 1.953 0 40 DDAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 23993605 HUNSOTVNXSMLAZ-NSHDSACASA-N 313.375 1.305 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)N3CC[C@@H](C(N)=O)C3)sc2C1 47753059 NASNPFRWOORMLY-RKDXNWHRSA-N 308.407 1.607 0 40 DDAB O=C(NCCn1ccnc1)NC[C@@H]1CCN(CC(F)(F)F)C1 43311014 ALKAARWKJIDSPI-NSHDSACASA-N 319.331 1.067 0 40 DDAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 107053184 SELVWZAQFWFVHV-RBSFLKMASA-N 324.469 1.179 0 40 DDAB O=C(CCN1C(=O)CCC1=O)OCc1nc2ccccc2s1 25990329 WMCLXAJMJQKLSF-UHFFFAOYSA-N 318.354 1.879 0 40 DDAB CSc1ccsc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 107502302 YMNQRWNUEVCRRV-MNOVXSKESA-N 314.476 1.997 0 40 DDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1ccncc1 57136523 GGTNZOVMFSRPPY-UHFFFAOYSA-N 305.284 1.406 0 40 DDAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@H](Cc2ccccc2)C1 108167430 OAEISYXGSBYHIV-WCXIOVBPSA-N 316.401 1.959 0 40 DDAB CCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 27038521 UPMPOFDZCUCARM-RYUDHWBXSA-N 319.405 1.973 0 40 DDAB Cc1ccc(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 57891833 UNLFUJXXHFYCNO-NSHDSACASA-N 314.382 1.192 0 40 DDAB O=C1CN(c2ccc(NC(=O)[C@H]3CC=CCC3)cn2)CCN1 27263500 LGNFQOUKRZMKSA-LBPRGKRZSA-N 300.362 1.313 0 40 DDAB C[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@H](C)O1 44889028 WMDUWHNGEYUCKS-STQMWFEESA-N 315.373 1.422 0 40 DDAB Cc1ccc(CNC(=O)COC(=O)c2ccc[n+]([O-])c2)cc1 3297889 ZIPCDMJVAVGLMP-UHFFFAOYSA-N 300.314 1.102 0 40 DDAB COc1ncccc1NC(=O)C1CCN(c2ncccn2)CC1 44968787 CZOYCWWOTRWPPE-UHFFFAOYSA-N 313.361 1.735 0 40 DDAB c1ccc(N2CCC(NC[C@@H]3CNc4ccnn4C3)CC2)nc1 58304950 SPGRVVOGMFZOJH-CQSZACIVSA-N 312.421 1.578 0 40 DDAB C[C@H](C(N)=O)N1CCO[C@H](c2ccccc2Br)C1 58406191 WERUDRXWQJPLDN-SKDRFNHKSA-N 313.195 1.696 0 40 DDAB O=C(NCCN1CCOCC1)N[C@@H]1CCOc2ccccc21 45546264 XXAPZBTXQSELNM-CQSZACIVSA-N 305.378 1.142 0 40 DDAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCO[C@H](C)C1)(C3)C2 11454738 PKYLNNINQAYPLC-ZMPDWNCDSA-N 320.433 1.709 0 40 DDAB CN(CCN1CCOCC1)C(=O)[C@H]1CCCc2ccccc21 69570849 MOUZVRWIXLWUAT-KRWDZBQOSA-N 302.418 1.897 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)no1 3464702 WGDZMWOYQWFYLX-PSLIRLAXSA-N 320.349 1.422 0 40 DDAB COCCCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 69531432 OIGKBMHBHRMATH-UHFFFAOYSA-N 303.362 1.974 0 40 DDAB COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)N1CCOCC1 69529373 HEUIYPDOELWKQN-UONOGXRCSA-N 306.406 1.902 0 40 DDAB c1nc2n(n1)C[C@@H](NCc1nc(-c3ccsc3)no1)CC2 69661450 PPIZJUHHNSVVCL-JTQLQIEISA-N 302.363 1.494 0 40 DDAB C[C@H](O)CN1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 69655669 DULITBHIBCMCMA-RYUDHWBXSA-N 322.434 1.858 0 40 DDAB CN(C)C[C@@H]1CCCCN1C(=O)Cc1cn2ccccc2n1 69697992 CGOGKBGXZMHEPN-HNNXBMFYSA-N 300.406 1.820 0 40 DDAB NC(=O)[C@H](CNC(=O)Nc1ccccn1)Cc1ccc(F)cc1 69813602 PCWHHXMNFJUIFU-LBPRGKRZSA-N 316.336 1.686 0 40 DDAB CCc1nc(CN2CCCN(c3ccc(C)nn3)CC2)no1 69848135 FHRPYNAYVMMGPF-UHFFFAOYSA-N 302.382 1.443 0 40 DDAB Cc1cc(N2CCN(C(=O)N3CCCCC3)CC2)nc(C)n1 65435214 HSKRNQKDJWOFIW-UHFFFAOYSA-N 303.410 1.821 0 40 DDAB Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14049342 QPFBYKVGEBWHDL-ZIAGYGMSSA-N 319.405 1.430 0 40 DDAB C[C@H](CN1CCCC1=O)NC(=O)c1cc2ccccc2c(=O)[nH]1 65523788 ZLNCJEHLGMIARC-LLVKDONJSA-N 313.357 1.269 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(OC)c1 65552768 GSTYMNJSCPQLKH-YPMHNXCESA-N 320.389 1.359 0 40 DDAB C[C@H]1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1 14142041 DLCTUHHGPLHECM-ZDUSSCGKSA-N 309.410 1.700 0 40 DDAB Cc1cc(OCC(=O)NCCO)cc(C)c1Br 4678919 XUVYPDYMSLKBMZ-UHFFFAOYSA-N 302.168 1.553 0 40 DDAB Cn1c(S)nc(=O)c2c(C(=O)O)cc(-c3cccnc3)nc21 20615580 PGDFNUTYSAXLQD-UHFFFAOYSA-N 314.326 1.377 0 40 DDAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc[n+]([O-])cc1 6989999 BDBCWVIXMFZZLR-HNNXBMFYSA-N 312.325 1.497 0 40 DDAB O=C(O)[C@H]1CS[C@@H](Cc2ccccc2C(F)(F)F)C(=O)N1 62712250 LUUWJEDWSBCBIH-ZJUUUORDSA-N 319.304 1.933 0 40 DDAB CCc1cc(C(=O)NCc2nc(C)c(C(=O)O)s2)n(C)n1 90125765 AWZQNIWPSODUQM-UHFFFAOYSA-N 308.363 1.376 0 40 DDAB C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)NC(N)=O 7358892 UKIRTFXSTRGROK-JTQLQIEISA-N 301.302 1.218 0 40 DDAB COc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)N1CCCC1 7985524 UVZRMSFIXOPXMQ-UHFFFAOYSA-N 324.402 1.326 0 40 DDAB CN(CCC(=O)NC(N)=O)[C@@H]1CCCN(c2ccccc2)C1 78969241 ZDZYOZNVWKZLSE-CQSZACIVSA-N 304.394 1.172 0 40 DDAB O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc[nH]n1 96462330 KJHQGHLHJRTBSD-AWEZNQCLSA-N 312.373 1.373 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)C1CCCC1 71866326 OPJLXKSEYRMACT-HOTGVXAUSA-N 318.421 1.569 0 40 DDAB Nc1cc(=O)[nH]c(SCCCn2c(=O)[nH]c3ccccc32)n1 9791407 FKFAIQVMDQQVNB-UHFFFAOYSA-N 317.374 1.178 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN(CCSc2ccccc2)C1 71910675 RLNDIPRUTUWRLG-CYBMUJFWSA-N 314.476 1.779 0 40 DDAB COC(=O)[C@H](NC(=O)[C@H](C)n1cncn1)c1ccccc1F 79094258 DOTBZXIIKHQTOH-JOYOIKCWSA-N 306.297 1.009 0 40 DDAB CCN1CCO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1 72268797 SLMWNSAMOVVMFH-GOSISDBHSA-N 314.433 1.742 0 40 DDAB CCc1ccc(NC(=O)C(=O)NCCCc2nc(C)no2)cc1 72291118 YTPPSOACAGIELN-UHFFFAOYSA-N 316.361 1.628 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1c(F)cccc1Cl 97146846 JTGNRTVBXSJNOR-UHFFFAOYSA-N 322.789 1.755 0 40 DDAB CO[C@]1(C)C[C@H](N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1(C)C 97212713 XJJCOSZJNMIIAZ-IIYDPXPESA-N 320.437 1.709 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 60740093 MZBUCAUZQRJDOM-KBPBESRZSA-N 320.462 1.929 0 40 DDAB Cc1[nH]ccc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 95450586 ZODZEZSLGBQMAK-AWEZNQCLSA-N 319.405 1.567 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(-n2cncn2)cc1 95434985 SOYRVWQNZWUXEH-UHFFFAOYSA-N 319.324 1.319 0 40 DDAB C[C@H](ONC(N)=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 95972266 WTCMEIPINONCAR-QWRGUYRKSA-N 305.378 1.731 0 40 DDAB COc1ccc(S(=O)(=O)NC(C)(C)C)c(CC(=O)O)c1 21965751 JWAGHPJKGSGSBX-UHFFFAOYSA-N 301.364 1.399 0 40 DDAB CS(=O)(=O)NCCCOC(=O)c1cc2ccccc2s1 89486784 QGZQOFYGSHCMEZ-UHFFFAOYSA-N 313.400 1.997 0 40 DDAB O=C(CCCNC(=O)C1CC1)NC[C@H]1OCCc2sccc21 89885347 GYGYYOOQRVIRIM-CYBMUJFWSA-N 322.430 1.785 0 40 DDAB O=C(OCCc1cnc(O)nc1)[C@H]1OCCc2ccccc21 1548592245 UVVWNQLUKITMJY-AWEZNQCLSA-N 300.314 1.582 0 40 DDAB CCOc1ccccc1NC(=O)C[C@@H]1SC2=NCCN2C1=O 36635308 UNWHHYVHWDABGK-LBPRGKRZSA-N 319.386 1.728 0 40 DDAB CN(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392871 QNMSPXSGYNATLX-LSDHHAIUSA-N 319.405 1.641 0 40 DDAB CNc1ccc(C[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nn1 72387368 OLECJGUYZYOOLN-GFCCVEGCSA-N 314.393 1.347 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 72324818 COHAKBKQYHEPDX-RAIGVLPGSA-N 324.808 1.708 0 40 DDAB CC(=O)NC1CCN(c2cnc([C@H]3CCCNC3)cn2)CC1 72365376 REFQDHRRIYPEOB-ZDUSSCGKSA-N 303.410 1.049 0 40 DDAB CCN1CCN(CCC(=O)NC(C)(C)c2nc(C)cs2)CC1 74679079 GMEHWLGPROHPOQ-UHFFFAOYSA-N 324.494 1.830 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCO[C@H](c2ccccn2)C1 72385364 GTWAMJPREKUEPT-INIZCTEOSA-N 318.398 1.985 0 40 DDAB COc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2C[C@@H]2CCCO2)cc1 49466650 XZKFTDREKPHAIA-DZKIICNBSA-N 319.357 1.848 0 40 DDAB Nc1nnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 222640016 XFCVISXBCPSPSP-UHFFFAOYSA-N 324.431 1.689 0 40 DDAB CCN1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 46115404 XVFPGPQAVCSRJW-ZDUSSCGKSA-N 319.380 1.343 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@H]3O2)n1 96058211 QSXRZAWLZUMQTH-MVWJERBFSA-N 313.379 1.022 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21)N1CCCO1 96058299 AAXLYZQBFCURSW-OWCLPIDISA-N 320.389 1.671 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96058178 PLICQZUYANGQLV-RRFJBIMHSA-N 308.378 1.022 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 96159549 ICJRKGSYUTXQIB-BLLLJJGKSA-N 320.414 1.740 0 40 DDAB Cc1nnc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 330173862 HTNUHSDSFSQCJM-GWCFXTLKSA-N 323.299 1.533 0 40 DDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(CC2CC2)C1 96244449 XECFKMGDGNFVBM-KRWDZBQOSA-N 302.422 1.735 0 40 DDAB O=C(c1cccs1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 96161828 BGQXLGMKSRPZRV-PHIMTYICSA-N 318.377 1.886 0 40 DDAB Cc1cc(CN2CC3(CC[C@H](CN4CCCC4=O)CO3)C2)no1 247899831 IHRUJWSFXBWXII-CQSZACIVSA-N 319.405 1.586 0 40 DDAB Cn1nccc1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257274731 NMJXBYBAMBQFNF-NSHDSACASA-N 321.406 1.016 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257251059 JPFPAIQSWFBMKK-AWEZNQCLSA-N 323.356 1.875 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccccc2C)n1 257236244 HBILNODLDRLJBL-CYBMUJFWSA-N 321.402 1.789 0 40 DDAB COc1ccccc1[C@@H]1CN(Cc2c[nH]cn2)CCN1C(C)=O 257204455 AURUARNOPJFRHL-INIZCTEOSA-N 314.389 1.824 0 40 DDAB CCC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260743551 KVIQSENLXKPONX-OCCSQVGLSA-N 312.435 1.924 0 40 DDAB 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323.368 1.584 0 40 DDAB C[C@H](OC(=O)CCc1ccccc1Cl)C(=O)N1CCNC1=O 23272283 VNHDOBSOVQNHBD-JTQLQIEISA-N 324.764 1.756 0 40 DDAB Cc1ccc(CNC(=O)Cn2nnc(-c3ccco3)n2)cc1F 32769850 MGHIZQQJXGXYDK-UHFFFAOYSA-N 315.308 1.697 0 40 DDAB Cc1nnc(N2CCC(N3CC[C@@H](O)C3)CC2)c2ccccc12 1776007865 IHRJXCBWFOQZCE-OAHLLOKOSA-N 312.417 1.974 0 40 DDAB CN1CCC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1565544117 KWVOHTIWDJNIDQ-INIZCTEOSA-N 307.369 1.086 0 40 DDAB CC1CC(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)C1 1565554870 IFMXQLPEXVJBGZ-UHFFFAOYSA-N 312.435 1.059 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3cn[nH]c3c2)CC1 29373741 NPEDLDYNIYQMLE-UHFFFAOYSA-N 322.390 1.173 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)nn1 585148042 MRNKDONJFSMXPW-CQSZACIVSA-N 312.329 1.539 0 40 DDAB Cn1c(=O)c2c(NCCc3ccccc3)ccnc2n(C)c1=O 22767819 IJILILLAMJSDGY-UHFFFAOYSA-N 310.357 1.287 0 40 DDAB C[C@@H](C(=O)NCCC(=O)N(C)c1ccccc1)n1cncn1 40107693 RVJYQKUUAFVNIJ-LBPRGKRZSA-N 301.350 1.008 0 40 DDAB Cc1cc(CN(C)C(=O)Cc2ccc3c(c2)OCCO3)no1 31115692 XAWGPHJJNVWQKE-UHFFFAOYSA-N 302.330 1.955 0 40 DDAB CC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1cccs1 40479586 YSPWYFLBLSJKTK-AWEZNQCLSA-N 307.419 1.632 0 40 DDAB CS(=O)(=O)NC(=O)c1cnn(Cc2ccccc2Cl)c1 40543895 BVWVXZQPQCODMG-UHFFFAOYSA-N 313.766 1.274 0 40 DDAB C[C@H]1Oc2ccccc2N(CC(=O)N2CCSCC2)C1=O 40542200 DSCGPVRGADZVFW-LLVKDONJSA-N 306.387 1.376 0 40 DDAB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCC(F)(F)F 40503339 PUXWPNYWCAFVFT-VIFPVBQESA-N 307.224 1.676 0 40 DDAB CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc3c(c2)OCO3)S1 180110 VILFLEUBVLDRPD-LBPRGKRZSA-N 307.331 1.416 0 40 DDAB CC(C)C(=O)Nc1nnc(SCC(=O)NC2CC2)s1 1371478 RZNNSZSUHFOTPX-UHFFFAOYSA-N 300.409 1.503 0 40 DDAB C[C@@]1(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)CCCCO1 32577568 HFJMOBXDXWSVSS-WBMJQRKESA-N 305.378 1.435 0 40 DDAB Cn1cnnc1SCC(=O)NCCc1ccc(Cl)cc1 3395212 GNTOXXJPJWZYAF-UHFFFAOYSA-N 310.810 1.920 0 40 DDAB CN(C)[C@H](CNC(=O)/C=C/c1cnn(C)c1)c1cccc(F)c1 32729461 RXBMULXWBFPTQF-KXPUMZMLSA-N 316.380 1.992 0 40 DDAB 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Cc1ccn(-c2ccc(N[C@@H](C)c3nnc4n3CCC4)nn2)n1 97115243 FXJHANDFWXXFRR-NSHDSACASA-N 310.365 1.682 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H](c1ccccc1)n1cccn1 97197426 SAYGUCZOAQEDKH-WBVHZDCISA-N 321.384 1.800 0 40 DDAB Cn1c(=O)c(CCC(=O)NCc2ccncc2)nc2ccccc21 72402917 CIRZBBTYYDJJLB-UHFFFAOYSA-N 322.368 1.578 0 40 DDAB NC(=O)C1(NC(=O)Cc2noc3ccccc23)CCCCC1 78390325 IMSKMLMNKHJKCZ-UHFFFAOYSA-N 301.346 1.675 0 40 DDAB COc1ccc2c(c1)N(CC(C)C)CC[C@]21NC(=O)NC1=O 78503014 ZUZAQQOTIHSKMK-INIZCTEOSA-N 303.362 1.596 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CCCN(CCN2CCCCC2)C1 72795693 UTHITMWDBROYRH-ZDUSSCGKSA-N 321.387 1.863 0 40 DDAB Cn1cc(/C=C/C(=O)OC2CCCCCCC2)c(=O)n(C)c1=O 95347411 LHBGLZCXVZFSEA-ZHACJKMWSA-N 320.389 1.753 0 40 DDAB C[C@@H]1COC2(CCN(S(=O)(=O)CCC(C)(C)C)CC2)O1 95960664 NVKQVSLVOBPLHY-GFCCVEGCSA-N 305.440 1.980 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN2CCOC[C@H]2C)cc1C 95948171 VEBNCGPVIPBBPY-CQSZACIVSA-N 312.435 1.302 0 40 DDAB O=C(NC1CC1)c1cccc(OS(=O)(=O)c2cccnc2)c1 79909205 NICXOWSBSFCQER-UHFFFAOYSA-N 318.354 1.742 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)SC[C@H](O)CO 75094286 FWGCEZXWSMOJFQ-PSASIEDQSA-N 319.810 1.762 0 40 DDAB Cc1cccc(OCCNC(=O)[C@H](C)N2CCN(C)C[C@@H]2C)c1 89677736 IQMCAZNUOLWRKX-HOTGVXAUSA-N 319.449 1.514 0 40 DDAB CCS(=O)(=O)N1c2ccc(C(=O)NC(C)C)cc2C[C@@H]1C 20448830 IMXXHTVQFIKTNV-NSHDSACASA-N 310.419 1.926 0 40 DDAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CCNC1=O 32759634 OMMBRDHATXOMQK-LLVKDONJSA-N 316.361 1.166 0 40 DDAB CC[C@@H]1CN(C(=O)c2cnc3ccc(OC)nn23)CCCO1 521395374 YRXLJAJYBASHRJ-LLVKDONJSA-N 304.350 1.379 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 36633875 UIRDESOAIIUAKG-OAHLLOKOSA-N 301.390 1.264 0 40 DDAB O=C(O)CCCNC(=O)c1cc(I)c[nH]1 217654235 IGKJIOMEEXHFBW-UHFFFAOYSA-N 322.102 1.214 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N(C(=O)CN)C1CC1 79391172 HJYWOEQQOMDQGK-QWHCGFSZSA-N 311.426 1.772 0 40 DDAB CC(C)[C@@H](C(=O)O)C(=O)NCc1nncn1-c1ccccc1 566299593 FHEBIBQITYNJPT-CYBMUJFWSA-N 302.334 1.240 0 40 DDAB O=C(CCc1nc2ccccc2[nH]c1=O)Nc1nccs1 72403867 XNBCNERKWOSAML-UHFFFAOYSA-N 300.343 1.951 0 40 DDAB NC(=O)[C@H]1C[C@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058312 XCXIPDKISYMILT-XOJFTNBJSA-N 306.406 1.040 0 40 DDAB CCn1cc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cn1 41545855 RZMHBYYNQVTBQZ-MRXNPFEDSA-N 314.345 1.309 0 40 DDAB O=C(C1CCCCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 41058388 XOOXILZPHSVVRI-HNNXBMFYSA-N 308.422 1.664 0 40 DDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1 226746441 XRWWEXIRGVGQSW-UHFFFAOYSA-N 321.358 1.007 0 40 DDAB Cc1cc(C)cc([C@H](O)CNC(=O)NCCCn2ccnn2)c1 225759636 XLEMFHACJTWBTG-OAHLLOKOSA-N 317.393 1.318 0 40 DDAB Cc1nc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)n[nH]1 80076621 AFJUFVDLMDLNAO-UHFFFAOYSA-N 324.344 1.971 0 40 DDAB O[C@H](CSCc1nnnn1-c1ccccc1)C(F)(F)F 191097927 OPYAWZLXVBYLSO-SECBINFHSA-N 304.297 1.819 0 40 DDAB O=C1c2cnc(N3CCCC3)nc2CN1c1ccc2c(c1)OCO2 46087681 RONWAPVEIDGMCO-UHFFFAOYSA-N 324.340 1.966 0 40 DDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)C1(c3ccccc3)CC1)CC2 225789031 OPAQBNRMYSEJDX-OAHLLOKOSA-N 323.396 1.486 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CC1 40625544 DATGYHJVGSEORR-UHFFFAOYSA-N 324.402 1.828 0 40 DDAB Cc1ccc(CN2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)o1 96050520 GLWHDZBLJCSKSE-QGZVFWFLSA-N 314.389 1.951 0 40 DDAB Cn1c(=O)c2c(ncn2CCSc2cccs2)n(C)c1=O 96409134 LFOOMLUQNUDBCF-UHFFFAOYSA-N 322.415 1.288 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12)N1CCCO1 96057303 FJGDIDWDAHLJOX-OAGGEKHMSA-N 320.389 1.528 0 40 DDAB COCC(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040458 ZWQZMFYEXQAJCZ-PBHICJAKSA-N 320.389 1.505 0 40 DDAB O=C(C1CCOCC1)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053645 PEEYCYLMPBNRHS-ZBFHGGJFSA-N 314.385 1.534 0 40 DDAB Cc1cc(CN2CC[C@@]3(C[C@H](N4CCCC4=O)CCO3)C2)no1 96205948 UEKFQWGAOXHGAK-NVXWUHKLSA-N 319.405 1.729 0 40 DDAB COC[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501200 RDYOOVUULWURLY-VIFPVBQESA-N 324.324 1.900 0 40 DDAB O=C(c1cnccn1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96239167 VDYVSCOOTQCJQL-KRWDZBQOSA-N 323.356 1.141 0 40 DDAB CCc1cnc(CCNS(=O)(=O)N2CCC[C@H](C)C2)s1 96428651 LOCLENFMAYIMKQ-NSHDSACASA-N 317.480 1.814 0 40 DDAB Cc1ccc(N2CCC[C@H](NC(=O)c3csnn3)C2=O)cc1 96426758 FZYWUGVFQGDSJD-LBPRGKRZSA-N 316.386 1.772 0 40 DDAB O=C(NC[C@H]1Cn2ccnc2CO1)Nc1ccc(F)cc1F 96269278 VDSKLCBRXWAYGO-JTQLQIEISA-N 308.288 1.882 0 40 DDAB biogenic,in-vitro CC(C)n1nnc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 96232633 OBCSWCWAZVCNFM-AWEZNQCLSA-N 315.377 1.830 0 40 DDAB CN(C(=O)c1cc(-c2ccc(F)cc2)on1)[C@@H]1CC[C@@H](O)[C@@H]1O 257293735 QQYWPCJMPUEYGZ-UMVBOHGHSA-N 320.320 1.437 0 40 DDAB COCc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257205772 BAMNTHSVZLSWDF-RDJZCZTQSA-N 305.374 1.589 0 40 DDAB COc1ncc(CN2CC[C@@H]3[C@H](CCCC(=O)N3C)C2)cn1 257340072 ZEILQPZWDDEEFL-ZIAGYGMSSA-N 304.394 1.318 0 40 DDAB COC(C)(C)C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257294515 QUNBUPJDEAUJDX-YOEHRIQHSA-N 307.390 1.842 0 40 DDAB CO[C@H]1CCN(C(=O)CCCn2ccnc2)C[C@@]12CCCO2 257209242 BPOKYKBKUCRZOV-HOCLYGCPSA-N 307.394 1.460 0 40 DDAB Cn1nccc1CN1CCO[C@@H](CCc2ccnc(N)c2)C1 257308797 TYCZEBQKGLNZAX-HNNXBMFYSA-N 301.394 1.231 0 40 DDAB CN(C(=O)CCn1ccnc1)[C@@H]1CCCN(c2ccccn2)C1 257275761 NQTUVXPXRYETGE-OAHLLOKOSA-N 313.405 1.796 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CCCC1 257237666 HHNLGQFITQZKSW-QGZVFWFLSA-N 316.405 1.621 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CC[C@H](c3[nH]ncc3C)C2)ccn1 257215597 CQUUMEPHLCOOPE-ZDUSSCGKSA-N 313.361 1.701 0 40 DDAB Cn1nccc1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257327472 XBLXCPBXSVFWLZ-MRXNPFEDSA-N 315.377 1.556 0 40 DDAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCC1)C2 604381983 XRRQFPQXUKXHNP-MRXNPFEDSA-N 321.465 1.182 0 40 DDAB biogenic,in-vitro C[C@@]1(C(N)=O)CN(C(=O)c2cc3ccccc3s2)CCO1 257274058 NJJBGIJDUSMOCJ-HNNXBMFYSA-N 304.371 1.618 0 40 DDAB CCn1ncc(NC(=O)C[C@@]2(COC)CCCN2C(C)=O)c1C 585280817 PMPDBYREVQVGIH-MRXNPFEDSA-N 322.409 1.568 0 40 DDAB CN(CCc1cccs1)C[C@H]1CCCN(S(C)(=O)=O)C1 132029599 XJHLZYUVVZPTIF-CYBMUJFWSA-N 316.492 1.894 0 40 DDAB CCC(CC)[C@@H](CNc1ccc2nnnn2n1)N1CCCC1 58279928 QWSGUNFQVLMSTO-CYBMUJFWSA-N 303.414 1.832 0 40 DDAB CCN([C@H](C)COC)S(=O)(=O)c1ccsc1C(=O)OC 58210609 HWLSNRVACYUXDV-SECBINFHSA-N 321.420 1.580 0 40 DDAB COc1ccc(C[C@@H]2CCCN2C(=O)Cn2cncn2)cc1 55610167 BIRSFAJSIYUDEO-AWEZNQCLSA-N 300.362 1.520 0 40 DDAB COc1nc(C)cc(C)c1CNC(=O)C(=O)Nc1cccnc1 67599413 JZQZEYDRGXCUFO-UHFFFAOYSA-N 314.345 1.357 0 40 DDAB CC(C)N1CC[C@H](NC(=O)NC2CCN(CC(F)F)CC2)C1 69845353 VHSJQKJIHXJIAH-ZDUSSCGKSA-N 318.412 1.498 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H](C)COCc2ccccc2)CC1 69967837 YYWYSUQNISEXFS-HOTGVXAUSA-N 320.433 1.364 0 40 DDAB CC(C)CS(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1 96121959 GCQBVAVXEUPDHK-UHFFFAOYSA-N 313.394 1.650 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2cc(F)ccc2n1 96836638 DILYNYQMMUIMOM-ZFWWWQNUSA-N 304.321 1.482 0 40 DDAB C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 95433449 AGEVPSSSWXEJFS-ZJUUUORDSA-N 305.346 1.746 0 40 DDAB CCn1ncc(Br)c1C(=O)N[C@H](C)[C@H]1CCCO1 2779129 QZZPTTRQEPMMOJ-PSASIEDQSA-N 316.199 1.963 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)cc1 5575149 CHGSRESNWMBIGI-HZSPNIEDSA-N 312.387 1.688 0 40 DDAB COc1ccc2[nH]cc(NC(=O)NC[C@H]3CCCO3)c(=O)c2c1 13565905 FJCASRUJCDWHMS-LLVKDONJSA-N 317.345 1.837 0 40 DDAB CC(C)Oc1ccc2c(c1)C(=O)N(CN1CCOCC1)C2=O 19285874 OAMRXNXJAQPWIQ-UHFFFAOYSA-N 304.346 1.360 0 40 DDAB NC(=O)CC[C@H]1CCCN(C(=O)CCCc2ccccn2)C1 104887811 XUXNKCLYOQUNGS-CQSZACIVSA-N 303.406 1.908 0 40 DDAB c1cnc(N[C@@H]2CC[C@@H]3CN(Cc4cscn4)C[C@@H]32)cn1 643913554 BMKYEMGKDBAPDJ-KWCYVHTRSA-N 301.419 2.256 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(=O)[nH]c1 11008274 CWMLEOUHIROLNC-GFCCVEGCSA-N 318.354 1.023 0 40 DDAB c1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)nc1 1889139863 PUBSPTRRHLDHQU-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB C[C@@H](CC(=O)O)NC(=O)Cc1ccc(Br)cc1 36966857 OAXWHHMCNXFYLQ-QMMMGPOBSA-N 300.152 1.971 0 40 DDAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]1C(=O)O 37518409 CQMYIZIZBACJQZ-VHSXEESVSA-N 303.236 1.922 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CC2)OCCO3)cc1OC 31180230 IVIPDKYDNPYMSO-UHFFFAOYSA-N 321.373 1.612 0 40 DDAB Cn1cc(CN2CCC(O)(COc3ccccc3)CC2)cn1 2037905658 ZSLHLQMQUCFZLY-UHFFFAOYSA-N 301.390 1.826 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]21 2037984690 KJOOHQBZNWLSST-JSGCOSHPSA-N 306.337 1.145 0 40 DDAB O=C(/C=C/c1ccccc1)N1CCC(N2C(=O)COC2=O)CC1 252479465 BFTURTZZWAQVFI-VOTSOKGWSA-N 314.341 1.670 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](NC[C@@H](C)O)C(=O)O 5258239 ZEQIMLXMSUBOJN-BXKDBHETSA-N 314.769 1.401 0 40 DDAB COC[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 9992080 WQXGMIPQPDKBKT-QMMMGPOBSA-N 300.742 1.438 0 40 DDAB CC(C)N(C)CC(=O)N1CCn2c(-c3ccco3)cnc2C1 2055772221 KFDLASRTZUGOPI-UHFFFAOYSA-N 302.378 1.826 0 40 DDAB Cc1nc2ccccc2n1C1CN(C(=O)c2ccc(=O)n(C)n2)C1 1775973236 CQCCRUGZTVAICQ-UHFFFAOYSA-N 323.356 1.136 0 40 DDAB O=C(/C=C/c1cccs1)N1CCN(c2cnsn2)CC1 585148831 KDQXZXWERPKCON-ONEGZZNKSA-N 306.416 1.962 0 40 DDAB O=C(Nc1ncccc1O)c1c(O)c2c([nH]c1=O)CCCC2 8818407 HTCMHJDMALTSOD-UHFFFAOYSA-N 301.302 1.312 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2cnccc21 97098114 KCPQTMXGDGVIBP-SFHVURJKSA-N 321.380 1.944 0 40 DDAB C[C@H](O)Cn1c(S)nc2ccc(Br)cc2c1=O 100453189 OKSRUSRDMBOQMK-LURJTMIESA-N 315.192 1.829 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cn1 40497530 GXDRYOJWZJEMHE-SNVBAGLBSA-N 317.798 1.488 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccn3)ccc21 104699 YBXVBJCIEODZBP-UHFFFAOYSA-N 305.315 1.327 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](CC4=O)[C@@H]3C2=O)cc1C 100825634 YIJQTZZRXLLESI-VZAMPYOESA-N 311.337 1.587 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OC2CCCC2)cc1 40508586 ISWJUIGWDBDAOT-ZDUSSCGKSA-N 323.414 1.925 0 40 DDAB Cn1cc(C(=O)Nc2ccccn2)c(C(=O)Nc2ccccn2)n1 20617139 NBOGCYIGOPQZOL-UHFFFAOYSA-N 322.328 1.715 0 40 DDAB Cn1c(=O)sc2cc(S(=O)(=O)NC3CCCC3)ccc21 75433434 ZZTUQTIFNDMTKO-UHFFFAOYSA-N 312.416 1.821 0 40 DDAB COCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 2965273 IEMFYTGRIHYRFZ-UHFFFAOYSA-N 315.373 1.371 0 40 DDAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C1CC1 4224327 JAGJPWFDNVRXMG-UHFFFAOYSA-N 317.370 1.649 0 40 DDAB O=C(OC1CCN(C(=O)c2ccncc2)CC1)c1ccncc1 32815361 YKAORIMYYJUSJA-UHFFFAOYSA-N 311.341 1.938 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1C 32845427 LGJRTRBPYQSCMV-GFCCVEGCSA-N 314.389 1.825 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)Cc2cccc(F)c2)c1 6881745 WRCWGANRTSYHKF-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(N)=O)c1 7056141 YAZXBXPMDNKZRM-UHFFFAOYSA-N 318.354 1.789 0 40 DDAB CN(CC(N)=O)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 60564385 BCZPAMCWUKTHSX-UHFFFAOYSA-N 305.309 1.357 0 40 DDAB CCOC(=O)[C@H]1CCCN(c2nc(N)c3ccccc3n2)C1 41146403 GFKHTYITTNNOEV-NSHDSACASA-N 300.362 1.992 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(CC)c1 21883847 WSPZTZCPVLQVFU-UHFFFAOYSA-N 323.374 1.950 0 40 DDAB CCOCCCNC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 22190770 AQRHTTAQHAHSEG-LBPRGKRZSA-N 306.362 1.343 0 40 DDAB COc1c(C)cc(CN(C)S(=O)(=O)c2cnn(C)c2)cc1C 101581276 SFWJUMBVOBXMQS-UHFFFAOYSA-N 323.418 1.866 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@H]1C)CC2 76022951 KYQNECJEOAXWPZ-MFKMUULPSA-N 308.403 1.530 0 40 DDAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCC(N)=O)C1=O 24088263 QHLCUVRPWPEYRK-CQSZACIVSA-N 309.753 1.373 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc2c(c1)OCO2 42841510 ABTFMYCTTLICSR-ZDUSSCGKSA-N 306.362 1.983 0 40 DDAB COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2C(N)=O)cc1OC 76089411 CGQLDCCCFIXRMT-RYUDHWBXSA-N 321.377 1.157 0 40 DDAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N1C[C@H]2CC[C@H]1C2 107501103 GWPPFYLMMBVCQM-YESZJQIVSA-N 300.402 1.898 0 40 DDAB CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 106547188 JLLKVSDVAVJNGG-HZSPNIEDSA-N 311.378 1.575 0 40 DDAB C[C@@H](CS(C)(=O)=O)NC(=O)C1(c2ccc(Cl)cc2)CC1 78681943 ANUNQHDXEAKDSV-JTQLQIEISA-N 315.822 1.921 0 40 DDAB CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1 55575130 SCVPRILYPGGXSU-UHFFFAOYSA-N 322.390 1.796 0 40 DDAB COC(=O)C1(NC(=O)CCNC(=O)c2ccco2)CCCCC1 25171041 LDHAXSQIWOVBFR-UHFFFAOYSA-N 322.361 1.392 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1 78889972 XHCAXXNFJOHQJI-VXGBXAGGSA-N 318.381 1.115 0 40 DDAB C[C@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)CO1 34892258 KKRSSXSSISFXRU-KGLIPLIRSA-N 301.390 1.732 0 40 DDAB COc1cccc(CS(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 106913235 CKHKQINNPXWILF-ZFWWWQNUSA-N 324.446 1.694 0 40 DDAB CN(C(=O)c1ccc(Cl)cc1)[C@@]1(C)CCS(=O)(=O)C1 3240130 NILJOVHOMBZWSJ-ZDUSSCGKSA-N 301.795 1.989 0 40 DDAB CC[C@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C 57521268 VXYHFRYDVJHZSN-QMMMGPOBSA-N 308.407 1.577 0 40 DDAB NC(=O)[C@H](Sc1nnnn1CC(F)(F)F)c1ccccc1 58298322 ZGZMXLFPAAXGTK-MRVPVSSYSA-N 317.296 1.554 0 40 DDAB CCN(CC)CCNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 27974579 UAKLZQBOVDIDLT-LBPRGKRZSA-N 308.378 1.641 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1c(-c2cccs2)noc1=O 58305302 YXRLGPISOKUIGW-UHFFFAOYSA-N 324.362 1.189 0 40 DDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc2[nH]ncc12 58391757 SSKVUVVYUVKBGA-SECBINFHSA-N 312.295 1.929 0 40 DDAB CC[C@H]1CN(C(=O)c2nnn(-c3ccc(F)cc3)c2C)CCO1 48137800 NMCWPFAACDBWKV-AWEZNQCLSA-N 318.352 1.966 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OCC)c1 58401539 RXFUUQREZFIATR-VXGBXAGGSA-N 307.394 1.970 0 40 DDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccncc2)c1 11359883 TZLUCEXSIFSVLB-UHFFFAOYSA-N 305.359 1.383 0 40 DDAB O=C(NC1CCN(C2CC2)CC1)c1ccccc1-n1cnnn1 48237538 JXLBHIZJOUGQLP-UHFFFAOYSA-N 312.377 1.019 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)no1 48235196 HQDDKMURGRAORR-JTQLQIEISA-N 301.302 1.736 0 40 DDAB CCc1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cs1 48574072 UYJLHDJPFSYMBG-LLVKDONJSA-N 317.480 1.467 0 40 DDAB Cc1[nH]ncc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91762121 KSNWMORHKPUIKD-IINYFYTJSA-N 307.300 1.944 0 40 DDAB CC[C@@H](C)c1ccccc1OCC(=O)NC[C@@H]1CCC(=O)N1 69875431 NMKHHQHFLJVKNU-OLZOCXBDSA-N 304.390 1.974 0 40 DDAB COc1c(C)cnc(CN[C@H]2CCc3nc(C)nn3C2)c1C 69969598 KLLQIWAYPWJVFU-ZDUSSCGKSA-N 301.394 1.712 0 40 DDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCO1 65417557 WEVPYRFDSZJIKP-WFASDCNBSA-N 300.362 1.966 0 40 DDAB COc1cc(CNCCN2CCCCCC2=O)cc2c1OCO2 65492258 AIDVTXOCXWQCGI-UHFFFAOYSA-N 320.389 1.916 0 40 DDAB CN(C)S(=O)(=O)NCCCOc1cccc2cccnc12 65564818 CDLBZDGTKTZMOZ-UHFFFAOYSA-N 309.391 1.400 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(C(N)=O)cc1 14168888 KVBDOPVOJWOXIZ-UHFFFAOYSA-N 323.374 1.211 0 40 DDAB Cc1noc(CNC(=O)NCc2ccc(OC(C)C)nc2)n1 66179300 PZENYVHOARERDC-UHFFFAOYSA-N 305.338 1.560 0 40 DDAB O=C(Cc1c(O)c2ccccc2[nH]c1=O)NC[C@H]1CCCO1 5687480 PDKNIXUQHZFTNE-SNVBAGLBSA-N 302.330 1.071 0 40 DDAB CC(C)OCCCN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 18219872 KDHMDEMQZRVXLT-CQSZACIVSA-N 308.353 1.862 0 40 DDAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)NC)C2=O)cc1 7126257 ZHVNUQDTLWIZQX-INIZCTEOSA-N 303.362 1.152 0 40 DDAB CC(C)OCCC(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 67732019 VWQKGTOEKXBGJH-LLVKDONJSA-N 302.440 1.618 0 40 DDAB Cc1ccc(SCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1 7779946 QHGFBGNJBXVZGM-CYBMUJFWSA-N 323.414 1.926 0 40 DDAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCc1cccs1 7776274 UWSJTEISYVTBQB-QMMMGPOBSA-N 324.431 1.765 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)CN2CC[C@](O)(C(F)(F)F)C2)[C@@H]1C 81048755 OJFZQQLSTUFTSP-NRWUCQMLSA-N 322.371 1.926 0 40 DDAB O=S1(=O)C[C@@H]2SC(=S)N(CCc3ccccc3)[C@@H]2C1 7995068 HPRXAIOAQGTBFJ-NEPJUHHUSA-N 313.469 1.728 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCc1nc(N)nc(N)n1 16615180 GRVROGANWOFIHN-SSDOTTSWSA-N 323.740 1.200 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(C3CCCC3)CC2)cn1 71841353 ZUAONAGLCHZZCL-JKSUJKDBSA-N 302.422 1.610 0 40 DDAB Cn1c(SCCN2CCCCC2)nnc1N1CCOCC1 71831241 NQQQQENWUYUHSX-UHFFFAOYSA-N 311.455 1.230 0 40 DDAB COc1ccc(OC)c(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c1 19937449 VWWGDWRCSOXSJB-UHFFFAOYSA-N 317.345 1.585 0 40 DDAB Cc1cccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)n1 78979924 YHRZBVVNDPPRGO-UONOGXRCSA-N 318.421 1.979 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CSc3nnnn3C)c2cc1C 71948346 STRYSMPJHLAKTM-LLVKDONJSA-N 318.406 1.330 0 40 DDAB COc1ccccc1C1(CNCc2c(N)ncnc2OC)CC1 83976248 MJGAYWHFGFARLP-UHFFFAOYSA-N 314.389 1.897 0 40 DDAB COCCN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc2C1 72274294 SNEWUCGMFRKFKD-QGZVFWFLSA-N 319.449 1.764 0 40 DDAB CCN(CC)C(=O)CCNC(=O)NC1Cc2ccccc2C1 97140154 XAZLMWVNORXYKV-UHFFFAOYSA-N 303.406 1.712 0 40 DDAB CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1n[nH]c(=O)[nH]1 79028562 PHBYLQRCXKHGTF-NSHDSACASA-N 322.340 1.461 0 40 DDAB Cc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)ncn1 95463890 LBIQLFXWJJICTA-OAHLLOKOSA-N 324.340 1.692 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)c1cccc(-n2cccn2)c1 95458432 SPPUCMOIOYFAAE-CQSZACIVSA-N 315.373 1.750 0 40 DDAB O=C(NCc1ccccc1-n1ccnc1)NC[C@@H]1CCC[C@H]1O 73865649 VMOVNFIUDKHIQH-GOEBONIOSA-N 314.389 1.833 0 40 DDAB COc1ncc(C)cc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1 95975276 DDDXRFWVWCCNMY-LLVKDONJSA-N 301.350 1.801 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N(C)C[C@@H](C)C(=O)O)C2 95970480 URGQRUQGXJMFJA-ZYHUDNBSSA-N 307.346 1.425 0 40 DDAB O=C(c1ccc(N2CCCC2)nn1)N1CCOC2(CCCC2)C1 95968189 SQXGTBYLPNONAZ-UHFFFAOYSA-N 316.405 1.862 0 40 DDAB CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Oc1ccccc1F 75093851 MFOLGMDZPTVJTL-RYUDHWBXSA-N 308.353 1.578 0 40 DDAB CC(C)CCC(=O)NCC(=O)NC[C@](C)(O)CCC(C)C 75127109 ZNEQPKKYQJOKDA-MRXNPFEDSA-N 300.443 1.842 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)C[C@](C)(O)C2CC2)cc1F 89643374 COPFVNXELCQCIX-KRWDZBQOSA-N 322.380 1.531 0 40 DDAB CCN1CCc2ncnc(N3CCC(n4cncn4)CC3)c2C1 65552914 LLEWNJBLOLFXEN-UHFFFAOYSA-N 313.409 1.288 0 40 DDAB O=C(c1noc2c1COCC2)N1CCC[C@@H]([C@@H]2CCCCN2)C1 527592882 DMRMWARMNNVUDI-OCCSQVGLSA-N 319.405 1.742 0 40 DDAB C[C@@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccncc1 527956641 QKAHFEIZGTXHKL-RHSMWYFYSA-N 305.422 1.348 0 40 DDAB CCCc1nc(NCC(=O)N(C)C)c2c(n1)c(C)nn2CC 72237834 DZDLLCDAARQLMB-UHFFFAOYSA-N 304.398 1.607 0 40 DDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@H](C(=O)O)C1 566119200 TTXLPXQQWDEVCB-XYPYZODXSA-N 315.395 1.222 0 40 DDAB Cc1cc(N2CCC[C@H](C(=O)NCC3CC3)C2)n2ncnc2n1 76832138 GSKGKDYDHWCRBY-ZDUSSCGKSA-N 314.393 1.175 0 40 DDAB COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccco1 73658776 QBFBUODFUKYJJO-UHFFFAOYSA-N 322.342 1.590 0 40 DDAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCN2CCO)n1 72382366 FZMUJSGXBJXZAW-GFCCVEGCSA-N 300.366 1.448 0 40 DDAB CN(CC(F)(F)F)C(=O)CNc1ccccc1S(C)(=O)=O 78340199 URHJBYLGJXSFOA-UHFFFAOYSA-N 324.324 1.523 0 40 DDAB C[C@H](N)C(=O)N1CC[C@@H](N(C)C(=O)OCc2ccccc2)C1 79412737 QYLQUESVQLCWGO-GXTWGEPZSA-N 305.378 1.203 0 40 DDAB CNC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 41262345 SJRQCCNZUTZBIT-UHFFFAOYSA-N 306.362 1.302 0 40 DDAB O=C(c1cc(-c2cccs2)n[nH]1)N1CC(n2ccnn2)C1 225693335 UMOXTXZIMSQFPD-UHFFFAOYSA-N 300.347 1.427 0 40 DDAB CSc1ncc2c(C)nc(N)c(C(=O)N3CCCC3)c2n1 224841217 IIDDYVLTWYPLHJ-UHFFFAOYSA-N 303.391 1.873 0 40 DDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@H]2CCOC2)cs1 96186379 CBZZKGIFMIXOKH-RRFJBIMHSA-N 321.446 1.806 0 40 DDAB Cc1cc(O)c([C@H](CC(=O)O)c2c(C)nn(C)c2C)c(=O)[nH]1 95476911 IEHOQDZMWAVJRZ-SNVBAGLBSA-N 305.334 1.346 0 40 DDAB C[C@H]1CN(C)C[C@@]12COCCN(C(=O)Cc1ccsc1)C2 96070408 FTTGZIQZIWBVSF-XJKSGUPXSA-N 308.447 1.717 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2C1 96082020 CXGJGMYNCSHPRZ-HUUCEWRRSA-N 324.384 1.530 0 40 DDAB CCNC(=O)NC[C@H]1COCc2nc3cc(OC)ccc3n21 96112465 JCBBUEMGHABJIL-JTQLQIEISA-N 304.350 1.435 0 40 DDAB biogenic,in-vitro O=C(CC(F)(F)F)N[C@H]1CC(=O)N(Cc2ccccc2)C1 96404140 LIZJUFUUIKWOBA-NSHDSACASA-N 300.280 1.856 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1coc(-c2cccs2)n1 96473821 LZAVHOSIQQWMCH-QWRGUYRKSA-N 308.359 1.511 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)C1CC=CC1)CC2 96255814 IZMKSXGCMYDYEM-UHFFFAOYSA-N 300.406 1.826 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 96479525 VUKYUNVTTIGEJQ-LLVKDONJSA-N 317.320 1.948 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(Cc3ccncc3)C[C@@H]2C1 96053948 UKHYLPQLZJPAGN-ZIAGYGMSSA-N 314.414 1.742 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccon1 96484636 NCKYERZCAWPPCK-CYBMUJFWSA-N 306.293 1.257 0 40 DDAB COCc1cncc2c1CCN(S(=O)(=O)c1ccccc1)C2 96189285 WASIIRIFWAZLMD-UHFFFAOYSA-N 318.398 1.975 0 40 DDAB O=C(c1cscn1)N1CCn2cc(CN3CCCC3)nc2C1 96197224 NVDNMCRYBDHOGP-UHFFFAOYSA-N 317.418 1.591 0 40 DDAB CC(=O)c1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)s1 332712077 OXSRQWLBQRHPJB-ZYHUDNBSSA-N 310.419 1.478 0 40 DDAB Cc1cnc(N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)nc1 96064176 GRPOROJOWFRPMR-XHSDSOJGSA-N 312.373 1.600 0 40 DDAB c1cncc(CO[C@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)c1 96055042 PZASUWAVVOYLQC-OALUTQOASA-N 324.428 1.952 0 40 DDAB O=C(c1cnccn1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247895060 ZPSONAABSIAWBP-GFCCVEGCSA-N 305.403 1.603 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1cc(C)on1 257218202 DCFVUEGOVQIKSN-AWEZNQCLSA-N 301.346 1.778 0 40 DDAB C[C@]1(c2ncc(CNC(=O)c3cnccn3)cn2)CCCCO1 257243653 IHYDLNBCZIBZRC-MRXNPFEDSA-N 313.361 1.612 0 40 DDAB Cn1nccc1CN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257338397 YXFGENALLMCVNS-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB O=C(Nc1c(F)cccc1F)C(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 252497818 QRHWJFFEWKVIBD-AVWBDOJWSA-N 324.327 1.427 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257321493 WBXKEEKMPUEMMT-UMVBOHGHSA-N 307.394 1.399 0 40 DDAB CO[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@]12CCCO2 257324268 WNXDXTICEFUYHN-GJZGRUSLSA-N 311.403 1.645 0 40 DDAB CS(=O)(=O)NCc1ncc(-c2ccccc2C(=O)O)s1 257253793 KAIATSVPGKEZAB-UHFFFAOYSA-N 312.372 1.558 0 40 DDAB Cn1cnc(C(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)c1 257311200 UIJGWMUYPRPDRC-GFCCVEGCSA-N 310.361 1.711 0 40 DDAB COCC(=O)N1CCC[C@@H](c2nccnc2-c2cn[nH]c2)C1 257275555 NPWJGLPPXBHPKV-LLVKDONJSA-N 301.350 1.219 0 40 DDAB CN(C)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1 257276951 NVWAEABWBABROH-QGZVFWFLSA-N 316.405 1.482 0 40 DDAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2nccn2C)ccn1 257279096 OEZYNSRUJQFRNO-INIZCTEOSA-N 313.405 1.788 0 40 DDAB CN(C)c1ncc(C(=O)N2CC[C@H]3NCCCC[C@H]3C2)cn1 257272463 NCMXLDOJJZBAKV-GXTWGEPZSA-N 303.410 1.147 0 40 DDAB c1coc(CN2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)c1 253596484 RTOFSRAQNJELBS-HOTGVXAUSA-N 318.377 1.321 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2ocnc2C)CCO1 257266476 MDEHAQJBPKSGFN-SNVBAGLBSA-N 303.322 1.028 0 40 DDAB CN(C)S(=O)(=O)CCC(=O)NC1CC(c2ccccc2)C1 252481852 CTXKUCLZHJRFPK-UHFFFAOYSA-N 310.419 1.330 0 40 DDAB O=c1/c(=C/Nc2ccccc2C(F)(F)F)sc2ncnn12 256055894 YBFWHDGOEAHPPX-UITAMQMPSA-N 312.276 1.739 0 40 DDAB Cc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)ccn1 274381768 STBIZKXAAJDHDK-UHFFFAOYSA-N 318.406 1.002 0 40 DDAB CCOc1cc(C(=O)N2CC(=O)N(C)c3ccccc3C2)[nH]n1 585140465 FFPYDJYYCZTMIG-UHFFFAOYSA-N 314.345 1.427 0 40 DDAB Cc1ccc(OC[C@]2(O)CCN(CC(=O)N3CCCC3)C2)cc1 585269516 XWKQZLWBQMVCOG-SFHVURJKSA-N 318.417 1.433 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)c1ccnc(F)c1)CC2 585110522 ZJLBHWJMYHPDIP-UHFFFAOYSA-N 315.352 1.318 0 40 DDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@@H]12 585109163 YOVYFAWASCLMHM-MJBXVCDLSA-N 306.337 1.143 0 40 DDAB CCOC[C@@H]1CCn2nccc2CN1Cc1cncc(C)n1 585098123 UKCOBMRTGYUAGL-INIZCTEOSA-N 301.394 1.793 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@H](Cc2cc(C(N)=O)ncn2)C1 585180117 BJDPQNNJNRNXRZ-LLVKDONJSA-N 304.394 1.403 0 40 DDAB CCO[C@H](C)C(=O)N1CCC(NC(=O)c2ccncc2)CC1 58215896 DQPYVQOTRLLWGW-GFCCVEGCSA-N 305.378 1.227 0 40 DDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 55485252 UUWLTRVSJCJWQT-OCCSQVGLSA-N 303.406 1.917 0 40 DDAB CC(C)(NCCC(=O)N1CCOCC1)c1ccc2c(c1)OCO2 58327309 WANNTXWIRQCTID-UHFFFAOYSA-N 320.389 1.489 0 40 DDAB Cc1nc([C@H](C)NC(=O)N2CCC(c3cncn3C)CC2)no1 1548453689 CDLRYPPCXPYMNX-JTQLQIEISA-N 318.381 1.762 0 40 DDAB COc1ccc(CC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)cc1 1549742078 CVRYLSWCXYIWSN-GFCCVEGCSA-N 300.362 1.676 0 40 DDAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1nncn1C 65418733 IKVVWAPZIZXFHH-AVGNSLFASA-N 309.414 1.771 0 40 DDAB COCCOc1ncccc1C(=O)N[C@@H]1CCc2nccn2C1 72278709 WDSBRRZMHCEFNU-GFCCVEGCSA-N 316.361 1.048 0 40 DDAB Cc1ncc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)s1 84290619 OOYCOJUPNMYAQM-ZDUSSCGKSA-N 319.434 1.579 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CC(OC[C@H]2CCOC2)C1 1775966247 VTDAUOZQOQCSDT-LRDDRELGSA-N 319.357 1.090 0 40 DDAB CNC(=O)CSc1nnc(Cc2ccccc2)n1CCOC 5860889 YAMNLTMBVWOZLB-UHFFFAOYSA-N 320.418 1.353 0 40 DDAB CCc1n[nH]c(SCC(=O)NCCc2ccc(F)cc2)n1 13009127 UEMSJEODIPDZNZ-UHFFFAOYSA-N 308.382 1.957 0 40 DDAB Cc1ccccc1NC(=O)C[C@H](NC[C@H]1CCCO1)C(=O)O 4279956 KKJFHANHEJFZNG-OCCSQVGLSA-N 306.362 1.545 0 40 DDAB CCc1ccccc1NC(=O)C[C@@H](NC[C@@H]1CCCO1)C(=O)O 4279969 KLEWRDJYEOFKRP-DZGCQCFKSA-N 320.389 1.799 0 40 DDAB O=C(CCCOc1ccc2c(c1)OCO2)N[C@H]1CCCOC1 12194463 HKWCFXPAYUNDRH-LBPRGKRZSA-N 307.346 1.870 0 40 DDAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 253407111 VPIWTHBLXVHOKM-OWCLPIDISA-N 318.373 1.711 0 40 DDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(F)cc1 3543800 TUOMEFMXPSLUMP-UHFFFAOYSA-N 318.304 1.742 0 40 DDAB CCNC(=O)N1C[C@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888860475 MBSOSGZLBKVHSO-CHWSQXEVSA-N 315.421 1.371 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2ccc(OC)cc2O)CC1 24469728 YJQMMDXXMMFYPZ-UHFFFAOYSA-N 322.361 1.752 0 40 DDAB c1ccc(-c2ccc(N3CCN(Cc4nnco4)CC3)nn2)nc1 1776009211 VVLMPZZQDUZRPI-UHFFFAOYSA-N 323.360 1.244 0 40 DDAB Fc1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1 1776008374 BYFMCKDRXCVCNZ-UHFFFAOYSA-N 314.368 2.000 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2[C@H](Cn3cccc3)CC[C@H]21 1565545824 PUKKXGMLFHKVNF-ZDGDKENJSA-N 316.401 1.387 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cccnn2)C1 225410684 PUNQMJBVZFSHSD-GFCCVEGCSA-N 313.313 1.499 0 40 DDAB O=c1ccc(C2CC2)nn1CC1CCN(C[C@@H]2CCOC2)CC1 585502740 NGHOPESYZRYRSD-HNNXBMFYSA-N 317.433 1.869 0 40 DDAB COc1ccc(CN2CCN(c3ncnc(C)c3C)CC2)cn1 2298032730 QWFDPHUOUVJINK-UHFFFAOYSA-N 313.405 1.819 0 40 DDAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(O)nn1 40082920 LSKBJUPZABPAEH-UHFFFAOYSA-N 312.329 1.951 0 40 DDAB CCN1C[C@H](C(=O)NCCSCc2ccsc2)CC1=O 40073858 AQGTUNRGTPYHMY-GFCCVEGCSA-N 312.460 1.966 0 40 DDAB COc1cccc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)c1O 20086565 TXTCEZGLIMWCOX-LBPRGKRZSA-N 313.313 1.801 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CCC3)c(=O)[nH]1 31282927 ATTLUSKABYAJCO-UHFFFAOYSA-N 304.375 1.513 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 40498813 HCEJWISAWRDSDI-GHMZBOCLSA-N 315.366 1.144 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100824922 YLVNQBPUQHVOGL-DJBIQUGXSA-N 317.728 1.624 0 40 DDAB c1ccc(CN2CCO[C@H](CNc3ncnc4[nH]cnc34)C2)cc1 40512383 GBFDJZGWAQMOMO-CQSZACIVSA-N 324.388 1.666 0 40 DDAB O=C(COCC(F)(F)F)N[C@H]1CCCN(c2ncccn2)C1 40553669 ZWYGMQURWXXKFO-JTQLQIEISA-N 318.299 1.141 0 40 DDAB CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(N)=O)cc1 40520589 SIGOTJURTXUKOY-UHFFFAOYSA-N 308.359 1.589 0 40 DDAB CCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 51373550 KZFDBIAKFPREJT-MLGOLLRUSA-N 306.362 1.537 0 40 DDAB O=c1/c(=C\c2ccccc2Br)sc2ncnn12 208402 OOSJPNZPICYRMK-WEVVVXLNSA-N 308.160 1.461 0 40 DDAB CC[C@@H](C)C1=NN(C(=O)c2ccccc2)[C@](O)(C(=O)OC)C1 55006 UBGPHXJAIPYFNH-BDJLRTHQSA-N 304.346 1.796 0 40 DDAB CCOc1ccc(CN(C)C(=O)[C@@H](C)n2cncn2)cc1OC 45882727 QJPPTXVQQXSICM-GFCCVEGCSA-N 318.377 1.905 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1cc(C)cc(C)c1 505933 JVVGISHYRROZSX-UHFFFAOYSA-N 318.406 1.827 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C(C)C)C2)no1 46198039 FNYZJPZRQZFDDX-JSGCOSHPSA-N 305.378 1.903 0 40 DDAB Cn1c(=O)c2[nH]c(=S)n(Cc3ccccc3)c2n(C)c1=O 1649287 JTXXGQPZZGMSMQ-UHFFFAOYSA-N 302.359 1.145 0 40 DDAB CC(=O)N(CN1C(=O)CC[C@@H]1C(=O)O)c1ccccc1Cl 1650038 WQKWFRNHAVWMJF-GFCCVEGCSA-N 310.737 1.726 0 40 DDAB CC[C@H](C)NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 7939164 KTFPYAZGZKIVPZ-JTQLQIEISA-N 323.345 1.538 0 40 DDAB Cc1cnc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)s1 10040601 NAHJYOQRNRERIA-UHFFFAOYSA-N 320.326 1.976 0 40 DDAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1=COCCO1 21709287 AMSCIYYJIJANCM-UHFFFAOYSA-N 318.373 1.370 0 40 DDAB COCCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C 51317684 GCBADZIFYUZDBC-UHFFFAOYSA-N 308.769 1.995 0 40 DDAB Cc1c(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cnn1C 29893703 JSNAWAWSBZCKHS-JTQLQIEISA-N 302.382 1.537 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCc1cccc(OCC(=O)NC2CC2)c1 50386076 PXXHIKYLNWMSBZ-IAQYHMDHSA-N 302.374 1.616 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H]1Cc2ccccc2O1 41177410 WRMVJNOIWQFLRN-OCCSQVGLSA-N 300.362 1.575 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)cc2)C1 57318704 DWCYJJMOSLRMPM-GOEBONIOSA-N 318.417 1.998 0 40 DDAB CCN1C[C@@H](C(=O)N2CCO[C@H](c3cccs3)C2)CC1=O 89977160 YCTBCHCOHGDWDG-RYUDHWBXSA-N 308.403 1.516 0 40 DDAB CC(C)c1cccc(N2C[C@@H](C(=O)N(C)CC(N)=O)CC2=O)c1 46980106 PJYGDDUYJORYTG-ZDUSSCGKSA-N 317.389 1.107 0 40 DDAB CN1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO 22851674 CZKBJSXLIMPTMH-INIZCTEOSA-N 303.381 1.872 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1nn(-c2ccccc2)cc1OC 23152245 NZKHMKSVDPFQTI-UHFFFAOYSA-N 317.345 1.562 0 40 DDAB O=C(c1[nH]nc2c1CCCC2)N1CCC(O)(C(F)(F)F)CC1 89947677 FQFNYIWGONTVPS-UHFFFAOYSA-N 317.311 1.818 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccsc2)no1 89937983 QHIVKYFCVZNDTO-LLVKDONJSA-N 320.418 1.893 0 40 DDAB COCCN1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc(C(=O)O)cc12 110769465 WFMLEKWNQXTUDR-ABAIWWIYSA-N 306.318 1.596 0 40 DDAB C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H](C)NC(N)=O 56134932 FAXNHHINLJCJDM-RYUDHWBXSA-N 321.421 1.924 0 40 DDAB CN(Cc1ccco1)C(=O)NCc1nnc2n1CCCCC2 43780069 ALJVUAYSOLMKLJ-UHFFFAOYSA-N 303.366 1.939 0 40 DDAB CCCn1nc(C(=O)NC[C@@H]2Cc3ccccc3O2)ccc1=O 43772622 YJXLYFAQMRBHCO-ZDUSSCGKSA-N 313.357 1.387 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)n1 76046340 UIIZUBKIPUMKLJ-WDEREUQCSA-N 308.382 1.181 0 40 DDAB O=C(O)CCCCCNS(=O)(=O)c1cccc(C(=O)O)c1 1746503 KTJKAUYDELWLNS-UHFFFAOYSA-N 315.347 1.308 0 40 DDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)NCCCC(N)=O 57474930 AMVQKJHQIGPAME-CQSZACIVSA-N 314.332 1.750 0 40 DDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NN1CCOCC1 76082389 KXAGXYBKVGMNMK-UHFFFAOYSA-N 320.780 1.811 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1 44895916 ZOFZVAXPUFNMFT-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB CCn1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 44873501 DTONWALXUAXYHI-LLVKDONJSA-N 306.387 1.578 0 40 DDAB CC(=O)NCCNC(=O)CCc1ncc(-c2ccccc2F)o1 27672006 GPCZANWIDVGAGD-UHFFFAOYSA-N 319.336 1.666 0 40 DDAB COc1ccc(OCc2noc(CN3CCOC[C@H]3C)n2)cc1 44914568 SHMARXVQXCUBSB-GFCCVEGCSA-N 319.361 1.878 0 40 DDAB O=C(NCc1cnn(Cc2ccccc2)c1)N1CCOCC1 44970789 QQOIDGBYQGOCBS-UHFFFAOYSA-N 300.362 1.473 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)OCc2ccccc2)CC(C)(C)O1 58391641 AIXKUFJSQWRHKX-ZDUSSCGKSA-N 320.389 1.939 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)N=c1[nH]c2ccccc2[nH]1 28647196 TYJJXSXZRDHJHV-NSHDSACASA-N 308.341 1.742 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCO[C@@H](c2ccc(F)cc2)C1 48230692 RSUWGYMQGLZTLA-CQSZACIVSA-N 304.325 1.832 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 48332636 DXYGZMUBXUDLMR-SMDDNHRTSA-N 321.425 1.043 0 40 DDAB COC(=O)CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 12901525 KRLSHUIRBYJFHY-CYBMUJFWSA-N 302.330 1.329 0 40 DDAB biogenic CCOCCO[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@@H]1C 69527437 JACORYVGLWJOGL-KBPBESRZSA-N 314.426 1.335 0 40 DDAB O=C([C@@H]1Cc2ccccc2O1)N1CCC(Nc2cccnn2)CC1 69661696 AOQDWJLAQUNZJC-INIZCTEOSA-N 324.384 1.883 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 69899816 CLODQSHPTIKLPB-BDAKNGLRSA-N 301.289 1.800 0 40 DDAB COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@H]2C(N)=O)cc1 13638898 WNZGEMXWMYMOQV-NXEZZACHSA-N 322.411 1.784 0 40 DDAB CCOc1ccc(CC(=O)N2CCN(C[C@H](C)O)CC2)cc1 69979032 NKBZEKIBTNAMPT-AWEZNQCLSA-N 306.406 1.153 0 40 DDAB c1cnn(CCNCc2nc(-c3ccc4c(c3)OCO4)no2)c1 69925724 NKDUHRHOCNXNOE-UHFFFAOYSA-N 313.317 1.452 0 40 DDAB CCn1c(Cn2cc(Cl)c(C)n2)nnc1SCC(=O)O 6125730 XJSJACCYYJMQJZ-UHFFFAOYSA-N 315.786 1.681 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1C 408610799 VYHBNAWGSJBLTA-UHFFFAOYSA-N 319.386 1.228 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 65411483 BVMFHEBRXLYHMH-LLVKDONJSA-N 301.350 1.700 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C(N)=O)c1ccccc1 65489816 VLRPRXZUBXTUGC-MEBBXXQBSA-N 314.389 1.483 0 40 DDAB O[C@@H](COCc1ccco1)CN1CCC(Cn2cccn2)CC1 65589486 WXKFMNVYHBFEGQ-MRXNPFEDSA-N 319.405 1.766 0 40 DDAB C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 5398276 KTLJCFMYOSFNTL-OOPCZODUSA-N 318.373 1.970 0 40 DDAB COC(=O)c1c(NC(=O)C(=O)N2CCCC2)sc2c1CCC2 6670124 UHVMZRJFAKRIEL-UHFFFAOYSA-N 322.386 1.584 0 40 DDAB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(C)C(=S)N1C 409047864 VBLAAEAPPDKJJH-POHAHGRESA-N 322.386 1.742 0 40 DDAB COCCCNC(=O)CSc1nnc2[nH]c3ccccc3n12 6908252 GQJZAYRRSJSNPT-UHFFFAOYSA-N 319.390 1.455 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)cn1 70004562 OCNYMZLCBVWKHM-CQSZACIVSA-N 310.361 1.679 0 40 DDAB COC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn(C)c1C 9477066 FGWBNEPKERUEHH-UHFFFAOYSA-N 323.374 1.624 0 40 DDAB COC[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 96428181 QLVQOCUXUHUQEI-MRVPVSSYSA-N 309.309 1.761 0 40 DDAB Cc1cc([C@@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)n[nH]1 84111304 MSUXANOHJCBKRM-GFCCVEGCSA-N 312.377 1.434 0 40 DDAB Cc1ccc(CNC(=O)CN2CCS[C@H]3COCC[C@@H]32)cc1 84148842 STEOBCHBEJRURK-HOTGVXAUSA-N 320.458 1.818 0 40 DDAB CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2nccn2C)c1 97082356 GKNKBMACVQGFJV-UHFFFAOYSA-N 321.402 1.663 0 40 DDAB COc1cccc(SCC(=O)N2CCNC(=O)C2(C)C)c1 78930717 GGNDCEJCRHDABD-UHFFFAOYSA-N 308.403 1.524 0 40 DDAB CO[C@H](CNC(=O)N(C)CCN1CCOCC1)c1ccccc1 72274200 LBLNAKBEXFBWNY-MRXNPFEDSA-N 321.421 1.348 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)C2)no1 72231737 BMUFPXITAHEQRK-YUTCNCBUSA-N 323.393 1.668 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CCC1=O 72271454 GNBKTXOMTCIXOF-NSHDSACASA-N 303.366 1.114 0 40 DDAB Cc1cc(C(=O)N2CCC(Nc3cccnn3)CC2)n(C)n1 72279597 QWXCCRZCKLYEQG-UHFFFAOYSA-N 300.366 1.235 0 40 DDAB Cc1n[nH]cc1CNCc1cccc(OCC(=O)N(C)C)c1 97159164 WMHSTKYJTKFSCW-UHFFFAOYSA-N 302.378 1.475 0 40 DDAB COc1ccc(OC)c([C@H](O)CNCc2c(C)n[nH]c2C)c1 97159527 NNSIIDNAXNVDSK-OAHLLOKOSA-N 305.378 1.867 0 40 DDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCN(C2CC2)CC1 72552366 HEVKEMAYFTVYPS-OAHLLOKOSA-N 319.409 1.374 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cn1 95455485 YCUVTIQSVJEBQS-UHFFFAOYSA-N 311.294 1.203 0 40 DDAB CN(C)C(=O)N1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 95986567 FPBGEPJXYYJUGP-UHFFFAOYSA-N 307.442 1.517 0 40 DDAB O=C(OCCCCO)c1ccc(C(=O)OCCCCO)cc1 95917658 MRLFFZIIRRKXBJ-UHFFFAOYSA-N 310.346 1.545 0 40 DDAB CN(C)c1cccc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 89326692 FZSYNVKZYJWCOZ-JKSUJKDBSA-N 304.390 1.773 0 40 DDAB Cc1cccc(O[C@H]2COCCN(C(=O)c3cncnc3)C2)n1 77265991 DWCIAVAXGNCPJL-CQSZACIVSA-N 314.345 1.100 0 40 DDAB biogenic,in-vitro C[C@H](NCc1ncccc1F)c1cccc(S(N)(=O)=O)c1 530471517 CKDNRYCLTYZRNS-JTQLQIEISA-N 309.366 1.719 0 40 DDAB Cn1ccnc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 72355601 LTTVEMQWFXEMHB-CQSZACIVSA-N 323.404 1.775 0 40 DDAB CCc1ccc([C@H]2COCCN2C(=O)NCc2cnn(C)c2)o1 77349392 YKLCFDWVZJROLR-CQSZACIVSA-N 318.377 1.859 0 40 DDAB CC(C)(C)OC(=O)N1CCC(C[C@@]2(C(N)=O)CCCN2)CC1 72366091 UBVCNCJHPMBTPP-MRXNPFEDSA-N 311.426 1.631 0 40 DDAB CCN(C[C@@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 79412373 XKJVZISRCCHVIA-HNNXBMFYSA-N 319.405 1.595 0 40 DDAB Nc1nc2nc([C@@H]3CCN(C(=O)c4cnco4)C3)ccc2s1 72368354 SAILZPTUSCLBHR-MRVPVSSYSA-N 315.358 1.891 0 40 DDAB Cc1cc(CCC(=O)NC2CCC2)nc([C@@H]2CCCNC2)n1 72366494 FJYRLVIRFOIIBG-CYBMUJFWSA-N 302.422 1.853 0 40 DDAB Cc1cc(C)c(C(=O)O)cc1NC(=O)[C@@H]1CCCS1(=O)=O 566925740 CWVOFUZIZNWHAR-LBPRGKRZSA-N 311.359 1.517 0 40 DDAB O=C(NC[C@H]1Cc2ccccc2CO1)c1cnn2c1OCCC2 225786152 VJLWKIDTAHRLRN-CQSZACIVSA-N 313.357 1.537 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058305 CZKZJUQMJPBEAJ-NJVMCNKBSA-N 321.417 1.728 0 40 DDAB Cc1cc(C)n(CCNS(=O)(=O)c2cc(F)ccc2F)n1 44159184 BPUNGWUQQVHYED-UHFFFAOYSA-N 315.345 1.757 0 40 DDAB CN(C)c1nccc(CNC(=O)Cn2cnc3ccccc32)n1 224236857 DRGQQGLUCRZKRF-UHFFFAOYSA-N 310.361 1.209 0 40 DDAB O=C(NCc1ccco1)C(=O)Nc1ccc(C(F)(F)F)nc1 40283037 JNLJYRURBSQBFO-UHFFFAOYSA-N 313.235 1.948 0 40 DDAB O=C(NCC[C@H](O)C1CC1)C(=O)NCc1ccccc1Cl 77108409 ZRSVRCJTSCHKGT-ZDUSSCGKSA-N 310.781 1.233 0 40 DDAB C[C@H](Oc1nn(C)c2ccccc12)C(=O)NCc1cnn(C)c1 226755268 PCUFJXCRCBNRRN-NSHDSACASA-N 313.361 1.391 0 40 DDAB CN(C)[C@H](C(=O)NCc1ccc(O)nn1)c1ccc(Cl)cc1 571700162 OZGYNPHBFFZGPZ-AWEZNQCLSA-N 320.780 1.755 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)C(C)C)c2)C1 45953921 CQJUIAAOVXLHMC-LLVKDONJSA-N 304.346 1.807 0 40 DDAB COC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344700 NAMHMGDTWTTWIU-VXGBXAGGSA-N 305.330 1.241 0 40 DDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)C2 225519884 DIGRAPIHZGZSEK-AFAVFJNCSA-N 311.385 1.598 0 40 DDAB C[C@H]1C[C@H]1NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 195539307 MISBPLBNETWOBD-SVGFKBNWSA-N 315.417 1.690 0 40 DDAB CCc1noc(C)c1C(=O)N1CCC[C@H](Cn2cncn2)C1 331393645 NBFRUZOJFJXTIX-LBPRGKRZSA-N 303.366 1.689 0 40 DDAB CN(CCc1cccs1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 96439872 QGOGMJAKTDUANN-KGLIPLIRSA-N 323.462 1.795 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccco3)C[C@@H]2C1 96053919 XDVCFIAIKBRDLH-TXEJJXNPSA-N 303.387 1.940 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21 96044770 FXZGRZMHZSYPOB-NSHDSACASA-N 305.403 1.797 0 40 DDAB C[C@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccncc1 97370630 ZGCVOHJAHDTFJI-BBRMVZONSA-N 311.385 1.852 0 40 DDAB O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@@H]21)c1cnccn1 96040663 FPWSCBTXCRYQLK-IMJJTQAJSA-N 316.405 1.096 0 40 DDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC[C@@H](CN(C)C)C1 97238767 GJICIQSRBCCDHO-GOEBONIOSA-N 311.470 1.190 0 40 DDAB Cn1cc(CSc2nncn2CCc2ccccn2)cn1 96405382 NAFSTXYESCASAU-UHFFFAOYSA-N 300.391 1.942 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223271 JPKBPUGMDZUSGE-SWLSCSKDSA-N 323.372 1.333 0 40 DDAB COc1ccc(Br)cc1CC(=O)NC(C)(C)CO 97233137 DDURLXJTSHCJEM-UHFFFAOYSA-N 316.195 1.887 0 40 DDAB CS(=O)(=O)[C@@](Cl)(I)C(=O)C1CC1 96518259 OVUBMKSLRVFVLA-LURJTMIESA-N 322.551 1.338 0 40 DDAB O=C([C@@H]1CCCO1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187928 VMQWZXMBDMEBPO-CABCVRRESA-N 319.405 1.447 0 40 DDAB O=C(NCC1CC1)[C@H]1COC2(CCN(c3nncs3)CC2)C1 96224887 ZCGXMFZQGXWGEV-GFCCVEGCSA-N 322.434 1.440 0 40 DDAB Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CCN2Cc1ccccn1 96038571 OYKINQLXDCGYQC-CVEARBPZSA-N 312.373 1.867 0 40 DDAB CS(=O)(=O)N[C@H]1CCN([C@@H]2CCc3c(Cl)cccc32)C1 96483658 QLJYXJOBVIINRA-IINYFYTJSA-N 314.838 1.951 0 40 DDAB CC[C@@](Br)([C@@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521492 NLMLSJXPDDBTOS-QWRGUYRKSA-N 322.224 1.848 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccccn1)C2 96039039 XUIJUCNYITVELD-DOTOQJQBSA-N 304.390 1.668 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@H]2CSc3ccccc32)CC1 96411184 OKSGNACHWLRPSF-AWEZNQCLSA-N 304.415 1.957 0 40 DDAB O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)C1CC=CC1 96420369 IFIROQFJXRQXAZ-UHFFFAOYSA-N 314.341 1.589 0 40 DDAB Cn1ccnc1CN1CCN(CCCN2CCCCC2)CC1 97103370 WKPYHSKULWIJBK-UHFFFAOYSA-N 305.470 1.414 0 40 DDAB Cc1ccc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)o1 248098539 NFBMBQQFMJIPPX-CWRNSKLLSA-N 302.378 1.859 0 40 DDAB C[C@H](Oc1nn(C)c2ccccc12)C(=O)N1C[C@@H](C)O[C@H](C)C1 252514512 CRSMPYBWSDZCMK-UPJWGTAASA-N 317.389 1.976 0 40 DDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)Cn2cc(C)cn2)C1 257274275 NKHPBWWUJYVJRH-HZPDHXFCSA-N 318.421 1.441 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@](O)(CN2CCCC2)C1 257337210 YRXITZILJOJJFU-KRWDZBQOSA-N 321.421 1.283 0 40 DDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2)n1 257280111 OJMCPSKJKPSHRY-AWEZNQCLSA-N 311.389 1.733 0 40 DDAB OCCN1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 257216001 CSPUOVXOZCGWRW-LBPRGKRZSA-N 300.366 1.182 0 40 DDAB CCc1nccn1-c1ccc(C(=O)N2CCC[C@@H](O)CC2)cn1 257219408 DGRDTACMZGZTNC-CQSZACIVSA-N 314.389 1.817 0 40 DDAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)CN)n1 257223510 DXQXMGISKYISHL-LBPRGKRZSA-N 301.350 1.371 0 40 DDAB CC(=O)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn23)C1 257238953 HNFRZZZLRSKNCG-VIFPVBQESA-N 313.283 1.869 0 40 DDAB Cc1ncccc1C(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257321928 WDWXBXZTCYOUMY-RBSFLKMASA-N 300.362 1.389 0 40 DDAB NC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 68425827 GOJZOSGHCGCSIE-OAHLLOKOSA-N 313.357 1.856 0 40 DDAB O=C(NCc1cn(-c2ccncc2)nn1)Nc1nccs1 390832039 WTHMMUUTENWSGV-UHFFFAOYSA-N 301.335 1.441 0 40 DDAB FC(F)(F)c1cc(N2CCN(c3ncccn3)CC2)ncn1 575617208 QZIOWPTWXXXPIN-UHFFFAOYSA-N 310.283 1.612 0 40 DDAB Cc1oncc1CNS(=O)(=O)c1cccc2nsnc12 575607803 CVSOPTNPIQEYDT-UHFFFAOYSA-N 310.360 1.466 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc2nccnc2c1 585291691 RRLNOURRXGEMRE-ZACQAIPSSA-N 317.389 1.490 0 40 DDAB COc1ccc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 44457195 MQDPXYKHWJBRQI-ZDUSSCGKSA-N 311.403 1.179 0 40 DDAB COc1c(CNCCS(=O)(=O)c2ccccc2)c(C)nn1C 58298921 CBUQGWYMYDGUDD-UHFFFAOYSA-N 323.418 1.301 0 40 DDAB Cc1ccccc1C(=O)OC1CCN(CC(=O)N(C)C)CC1 69698458 MTPZKAKOMKWFTC-UHFFFAOYSA-N 304.390 1.704 0 40 DDAB COC(=O)CCN(C(=O)Cc1cn2cccc(C)c2n1)C(C)C 69770143 YNGXVOLMZXSOKK-UHFFFAOYSA-N 317.389 1.985 0 40 DDAB COc1cc(CN2CCN(C(=O)C3CC3)CC2)cc(OC)c1 78565653 RFUPPUDEOMNLKO-UHFFFAOYSA-N 304.390 1.758 0 40 DDAB OCCO[C@H]1CCCN(c2ccc(Br)cn2)C1 95399773 NUQQVLVLRUBVTL-NSHDSACASA-N 301.184 1.822 0 40 DDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 11501133 HZKPCWAZYAEELK-NSHDSACASA-N 314.407 1.278 0 40 DDAB CCn1c(=O)n(CC(=O)NCc2ccccc2)c2cccnc21 12117503 ZMSUSMCCEMLGHS-UHFFFAOYSA-N 310.357 1.534 0 40 DDAB Cc1nc(N)cc(CC2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 19758438 LTCLTTXPMOOOAF-AWEZNQCLSA-N 304.394 1.327 0 40 DDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)n1 1888843356 FIQAJSAIYMUZJA-KBPBESRZSA-N 309.373 1.388 0 40 DDAB Cn1nc(C(=O)NCc2coc(-c3cccs3)n2)ccc1=O 22239760 JKMOQSCLDXAQAB-UHFFFAOYSA-N 316.342 1.427 0 40 DDAB CO[C@@H]1CCN(C(=O)CC2(OC)CCC2)[C@H]1Cc1cnn(C)c1 1614935047 NUNHUQFTWCSFHV-LSDHHAIUSA-N 321.421 1.538 0 40 DDAB O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1CC1CCOCC1 2086968269 BDVWZRKJJWRYGD-UHFFFAOYSA-N 322.311 1.704 0 40 DDAB COC1(CC(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)CCC1 1565545394 HOUBLBRJEFUGRM-HOTGVXAUSA-N 324.465 1.903 0 40 DDAB CCOC[C@H]1CN(C(=O)CC2(OC)CCC2)Cc2cn(C)nc21 1565549863 HKXATHPRTMOGGU-CQSZACIVSA-N 321.421 1.842 0 40 DDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CC1 2055738703 LCNWOJAQXXGTDA-LLVKDONJSA-N 303.362 1.294 0 40 DDAB CCS(=O)(=O)N1CCC2(CN(CC3CCCCC3)C2)C1 2055803579 LTJCHNNCSYFHMH-UHFFFAOYSA-N 300.468 1.924 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](Oc3cc(C)oc(=O)c3)C2)no1 206962882 QOTUSUSHKMOXQN-NSHDSACASA-N 304.302 1.538 0 40 DDAB C1CN([C@@H]2CC[C@@H]3S[C@H]2CC[C@H]3N2CCOCC2)CCO1 35904207 AISSRCQTANXUHV-WCVJEAGWSA-N 312.479 1.446 0 40 DDAB Cc1cc(O[C@@H]2CCN(C(=O)c3cccnc3)C2)cc(=O)o1 218877309 GYQOXVMUMOYYBX-CYBMUJFWSA-N 300.314 1.637 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=O)N[C@]1(O)C(F)(F)F 102860386 JQYMIOCQKZLHAF-NTZNESFSSA-N 316.279 1.805 0 40 DDAB CCNC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20112777 XGUHXIOOJRLZSN-AWEZNQCLSA-N 307.350 1.230 0 40 DDAB biogenic COc1cccc(N2CCN(C(=O)CCn3cncn3)CC2)c1 31386000 WILPKNBYEYYHNA-UHFFFAOYSA-N 315.377 1.026 0 40 DDAB Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cs1 40510427 WMILDEIOQNLOEZ-GFCCVEGCSA-N 307.419 1.369 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccc(F)cc2n1 40508598 OKFZWYILCJSCQT-NSHDSACASA-N 322.361 1.599 0 40 DDAB C[C@H](CNC(=O)c1cnc2ccccc2n1)N1CCOCC1 40509881 SKHVNMPHTCFTMX-GFCCVEGCSA-N 300.362 1.080 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CCOc1ccc(Cl)cc1 40533835 PGXITEJBTOXIKB-UHFFFAOYSA-N 310.781 1.846 0 40 DDAB COc1cc(C(=O)N2CCC(CC(N)=O)CC2)cc(OC)c1C 40542695 MNZIUXIYELFRAE-UHFFFAOYSA-N 320.389 1.740 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NCCc2cccs2)c1 20565527 JANFWWBGVLTTLF-UHFFFAOYSA-N 311.384 1.967 0 40 DDAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 220275 MVEGIRIQRMNTDL-JSGCOSHPSA-N 304.390 1.958 0 40 DDAB Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 45750903 NRPNHACYVXHGOM-HNNXBMFYSA-N 302.374 1.643 0 40 DDAB O=C(CSc1nnnn1-c1ccccc1F)N1CCCCC1 414691 SAWYOXHTPAMLDO-UHFFFAOYSA-N 321.381 1.906 0 40 DDAB CCc1ccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 45915433 VRNBTMDOSDNGPF-UHFFFAOYSA-N 314.389 1.898 0 40 DDAB CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1 382397 NYXDCFPLPBHQIA-UHFFFAOYSA-N 310.419 1.461 0 40 DDAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(S(C)(=O)=O)CC1 32754370 KLVHAISDOJINHV-JTQLQIEISA-N 316.427 1.005 0 40 DDAB CN(C(=O)COc1ccc(C(N)=O)cc1)C1Cc2ccccc2C1 69527944 BDICFIUMTARMPJ-UHFFFAOYSA-N 324.380 1.790 0 40 DDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1[C@H]1CCOC1 107781134 WEEQZAMVNOSJQT-YPMHNXCESA-N 304.394 1.075 0 40 DDAB Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1C 8051767 ODYRYZPZVXUYNL-UHFFFAOYSA-N 307.375 1.542 0 40 DDAB O=C(c1ccc(O)cc1)C1CCN(C(=O)N2CCOCC2)CC1 32889688 NGOAHDFGUQIRDT-UHFFFAOYSA-N 318.373 1.739 0 40 DDAB O=C(CCn1cncn1)Nc1ccc(N2CCCCC2)nc1 32885676 FMPGNGMMTLGMIM-UHFFFAOYSA-N 300.366 1.692 0 40 DDAB CN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 52529004 HKSKFYVAHXNBBN-HOTGVXAUSA-N 316.449 1.906 0 40 DDAB C[C@H]1NC(C(=O)Nc2ccccn2)=NN(c2ccccc2)C1=O 32941773 VITHRYFJXCKGOA-LLVKDONJSA-N 309.329 1.359 0 40 DDAB O=C(CN[C@H]1CCc2ncnn2C1)N(C1=CCCCC1)C1CC1 69707495 NMIHQCDIBLDMKL-ZDUSSCGKSA-N 315.421 1.631 0 40 DDAB CCOc1ccc2nc(SCCNS(C)(=O)=O)[nH]c2c1 69774120 JKHPCFWBBIQSKF-UHFFFAOYSA-N 315.420 1.603 0 40 DDAB Cn1nnc(NC(=S)NC(=O)c2ccc3ccccc3c2)n1 528483 LBCJBRNDTFGNLA-UHFFFAOYSA-N 312.358 1.490 0 40 DDAB Cc1ccc(C(=O)[C@H](C)n2cnc3c(=O)[nH]c(=O)n(C)c32)cc1 26441988 YKFLEMFSNWDIFK-JTQLQIEISA-N 312.329 1.176 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)c1ccnc(-n2cncn2)c1 53791168 ZFJFENQFOHGLTB-AWEZNQCLSA-N 309.329 1.126 0 40 DDAB NC(=O)c1cnc(NCCC(=O)N2CCCCC2)c(Cl)c1 54060765 GRJKYLBPIXJJPY-UHFFFAOYSA-N 310.785 1.648 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCCN(C[C@@H]2CCCO2)CC1 42393138 LGOGPAPFQSZNNI-AWEZNQCLSA-N 318.421 1.614 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@H]2CCCC[C@@H]2C1 42354212 UZXLAOAXIPEMSY-IJEWVQPXSA-N 321.465 1.611 0 40 DDAB CCN1CCC[C@@H](NC(=O)N2CCC(CC(=O)NC)CC2)C1 174195444 RGJJVLJZYWILBF-CQSZACIVSA-N 310.442 1.028 0 40 DDAB CCCN(CC(F)F)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 110625101 WHQQKZNDKHWFHS-VHSXEESVSA-N 300.371 1.318 0 40 DDAB O=C(NCCN1CCOCC1)c1cc(Cl)c2c(c1)OCO2 23640212 LYXHBQNLLOHOBS-UHFFFAOYSA-N 312.753 1.131 0 40 DDAB Cn1ncc2c(NCCCN3CCCCCC3=O)ncnc21 54845636 MVQPPVXCOMYZNI-UHFFFAOYSA-N 302.382 1.568 0 40 DDAB Cc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1C 47647416 CWORLNDNGHGWHY-MRXNPFEDSA-N 316.401 1.767 0 40 DDAB Cc1noc([C@H](C)Sc2nnc(SCC(N)=O)s2)n1 22831271 SPVXNUZEHFPCMA-BYPYZUCNSA-N 317.421 1.660 0 40 DDAB O=C(Cn1ccccc1=O)Nc1ccccc1N1CCOCC1 12534047 NJIMMSFBUYMDFE-UHFFFAOYSA-N 313.357 1.324 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 106065931 CGWSWBYCXZDVKO-JMSVASOKSA-N 301.346 1.616 0 40 DDAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NS(=O)(=O)Cc1ccon1 76094830 XMKJTIRDGQRWMI-UONOGXRCSA-N 320.370 1.733 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 63526861 SKXSKLVLSIALGI-HOTGVXAUSA-N 308.385 1.681 0 40 DDAB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100315995 SMLSGZWTQNCHJF-IATRGZMQSA-N 301.298 1.066 0 40 DDAB COc1cc2nc(CN3CCOC[C@@H]3C)[nH]c(=O)c2cc1OC 26451338 VZHQXFCKSNKZHR-JTQLQIEISA-N 319.361 1.161 0 40 DDAB Cc1cccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)c1 58225109 JCYSOASTWITCND-AWEZNQCLSA-N 311.345 1.483 0 40 DDAB CC(=O)N1CCC(NC(=O)NC[C@H]2Cc3ccccc3O2)CC1 48155335 IUGFRVAFKAHTCX-OAHLLOKOSA-N 317.389 1.300 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC)CC)c1C 3365447 NXPRNUDMNCAMHW-UHFFFAOYSA-N 324.377 1.833 0 40 DDAB CC(=O)N1CCN(C(=O)NC[C@H](C)Cn2nc(C)cc2C)CC1 44971706 TYFYSZZHASEVRS-LBPRGKRZSA-N 321.425 1.010 0 40 DDAB CCCNC(=O)CCNC(=O)[C@H]1COc2cc(OC)ccc2C1 58327108 CAXVIIRZHJKXSO-CYBMUJFWSA-N 320.389 1.279 0 40 DDAB COCCCNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 58428687 KFPFXWDDYZRZAS-UHFFFAOYSA-N 320.798 1.478 0 40 DDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnccn2)c1 28813397 ADLVFPCHAURKLC-UHFFFAOYSA-N 307.331 1.228 0 40 DDAB C[C@@H](CNC(=O)NCc1cc[nH]n1)N1CCc2sccc2C1 48303282 GPGPEUTWGOVPEN-NSHDSACASA-N 319.434 1.717 0 40 DDAB CC(C)(C)c1ccc(OCCNC(=O)Cn2cnnn2)cc1 48361775 XFGGFCRLHBJFJS-UHFFFAOYSA-N 303.366 1.166 0 40 DDAB CNC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1 9337192 LNDRUQPERFFSNZ-UHFFFAOYSA-N 318.354 1.903 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCCOc2ccccc2)C[C@@H](C)O1 12982471 QJFHJWBBQCCELU-CHWSQXEVSA-N 314.407 1.009 0 40 DDAB NC(=O)NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 8735530 YJRWWENRDMMOSI-UHFFFAOYSA-N 318.402 1.671 0 40 DDAB Cc1ccc(C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)c(=O)[nH]1 71796099 IXJVRENMLLCVHU-UHFFFAOYSA-N 324.340 1.723 0 40 DDAB NC(=O)[C@@H]1CN(Cc2ccc(SC(F)(F)F)cc2)CCO1 92735545 XONJUCBEXPFNPW-NSHDSACASA-N 320.336 1.985 0 40 DDAB CC(C)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 5231041 SEMAVBPBNHTCFQ-MRXNPFEDSA-N 304.346 1.881 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(-c2cccnc2)on1 65465457 GZJRRRNOEHOOLA-PWSUYJOCSA-N 314.345 1.463 0 40 DDAB O=C(C1CC1)N1CCN(Cc2nc(O)c3sccc3n2)CC1 14184282 RVMXTMFAIGVHRK-UHFFFAOYSA-N 318.402 1.451 0 40 DDAB COc1ccc(CNC[C@H]2CN(C)CCO2)cc1OCC1CC1 65615066 GQCNWLAMSNIRPQ-INIZCTEOSA-N 320.433 1.904 0 40 DDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1nccs1 9486535 CBZGZTHRDPOQHS-UHFFFAOYSA-N 323.769 1.904 0 40 DDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 14245042 MYQIWKQGDZQTDQ-SNVBAGLBSA-N 316.313 1.871 0 40 DDAB COc1ccc(CNC(=O)c2ccc(CNC(N)=O)cc2)cc1 6590071 AMXLBHOGEGBHIQ-UHFFFAOYSA-N 313.357 1.794 0 40 DDAB CCOC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 6638899 GDSCUGOWHVOUFD-UHFFFAOYSA-N 301.350 1.442 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C 4924163 TUVHZGOBKMKEQT-ZETCQYMHSA-N 309.351 1.011 0 40 DDAB O=C(Nc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 7069735 LPOQJVJYPJMRPH-QMMMGPOBSA-N 318.192 1.822 0 40 DDAB COc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cn1 15616829 UAOLASVFHVJLHA-UHFFFAOYSA-N 310.313 1.508 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2cnn(C)c2)CC1 7910411 WXYJUXBBFOFAFF-UHFFFAOYSA-N 300.362 1.391 0 40 DDAB CCOC[C@@H]1C[C@@H]2OCCN(C(=O)NCc3cccnc3)[C@H]2C1 306144543 ZIERZGHKTACEPT-JYJNAYRXSA-N 319.405 1.807 0 40 DDAB CCNS(=O)(=O)c1ccc(C(=O)NN2CCCCC2)cc1 8138723 LUBUEYWFGJPLDD-UHFFFAOYSA-N 311.407 1.116 0 40 DDAB CCOc1nnc(CN2CCn3c(nnc3C(C)C)C2)s1 70018148 OVUXZZPLTFRJTD-UHFFFAOYSA-N 308.411 1.668 0 40 DDAB CCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCO2 69350837 HVHJWGYABRDXSH-GFCCVEGCSA-N 319.361 1.398 0 40 DDAB Cc1csc(=O)n1CCC(=O)Nc1ccc(C(N)=O)cc1 8327484 DSFNAHYVBCPEGP-UHFFFAOYSA-N 305.359 1.346 0 40 DDAB CCn1cc(/C=C2/NC(=S)N(C[C@H]3CCCO3)C2=O)cn1 17031353 XYUCSUSLDXFECQ-GGQLTLKSSA-N 306.391 1.140 0 40 DDAB COCCN1C(=O)N[C@H](c2ccccc2F)C(C(=O)OC)=C1C 9498575 CNWZMIDGWSNFHJ-CQSZACIVSA-N 322.336 1.985 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)c1 69445507 VFVLXAUPPJJUHI-CYBMUJFWSA-N 303.366 1.353 0 40 DDAB Cc1cnn(C[C@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)c1 69454043 CRFMDSWSSOXBMU-CVEARBPZSA-N 314.389 1.119 0 40 DDAB Cc1ccc(CNC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc1 9885487 CBEUWDYGHOOJGC-UHFFFAOYSA-N 304.375 1.385 0 40 DDAB CC(C)=CC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 71910597 LIQMVPBHWGTWHP-OAHLLOKOSA-N 302.422 1.675 0 40 DDAB CC1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 9646298 KHSUGHTZCGZOLB-UHFFFAOYSA-N 310.419 1.809 0 40 DDAB Cc1ccc(CNC(=O)CN2CCS[C@@H]3COCC[C@@H]32)cc1 84148843 STEOBCHBEJRURK-JKSUJKDBSA-N 320.458 1.818 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)NCc2ccccn2)C1 9763547 ZJHMVNPALKLHQP-ZIAGYGMSSA-N 303.406 1.983 0 40 DDAB C[C@@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccccn1 97015908 OWEJJBBRQPSWIM-CQSZACIVSA-N 312.421 1.474 0 40 DDAB CCc1nnnn1-c1ccccc1NC(=O)[C@@H](C)n1cccn1 72290300 ZPVJNBSIGTVVAE-LLVKDONJSA-N 311.349 1.621 0 40 DDAB Cc1cn2nc(N3CCn4c(nnc4C4CC4)C3)sc2n1 84257897 JSMYYBBSBVDKHB-UHFFFAOYSA-N 301.379 1.588 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CC(=O)N(C2CCCC2)C1 97197775 BGTQVIZETBUOBF-QWHCGFSZSA-N 316.405 1.105 0 40 DDAB COCCOCC(=O)N[C@@H](CC(=O)O)c1ccccc1Cl 95393695 YBYGGJGLAZTPBC-LBPRGKRZSA-N 315.753 1.635 0 40 DDAB C[C@H](CCc1ccccc1F)C(=O)Nc1cnn(CC(N)=O)c1 79581132 RCODTHXGCPARIX-LLVKDONJSA-N 318.352 1.715 0 40 DDAB COc1ccc(CN(CCC(=O)NC(N)=O)C2CC2)c(OC)c1 27591721 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Cc1nnc2n1C1(CCN(Cc3ccccn3)CC1)CN(C)C2 306138514 RZGCGFUMXOEAPX-UHFFFAOYSA-N 312.421 1.418 0 40 DDAB O=C(N[C@H](C1CC1)[C@@H]1COCCO1)[C@H]1CCCn2nccc21 1551782063 NZOOXDCERCKMIM-AEGPPILISA-N 305.378 1.071 0 40 DDAB C[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)n1cccn1 75563764 ZNVVPEBLLFOYHM-MNOVXSKESA-N 319.390 1.530 0 40 DDAB Cn1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)nc2)cn1 78556727 YLNXAYYRBWQUHF-UHFFFAOYSA-N 321.406 1.606 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NCC2CCCC2)[C@@H]1c1ccccc1 72237910 XRVUKBHLGMTVRV-IRXDYDNUSA-N 316.401 1.891 0 40 DDAB CC(C)[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)N1CCCC1 79051814 CJZSJZNEXKNKRQ-CYBMUJFWSA-N 318.483 1.436 0 40 DDAB NC[C@H]1CCN(c2ccccc2Br)S1(=O)=O 222542719 LFEOWHOVXPKGND-MRVPVSSYSA-N 305.197 1.316 0 40 DDAB COc1ccn2c(C(=O)N3CC[C@@H](O)CC(C)(C)C3)cnc2c1 568990707 GWTOYPCYLJBHKW-GFCCVEGCSA-N 317.389 1.966 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCC[C@@H](O)C1 75156939 OQJKHSQADXWSID-RKDXNWHRSA-N 319.404 1.117 0 40 DDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ccccn2)CC1 49551824 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CC(=O)N1CCOC[C@@]2(CN(Cc3ccc(C)o3)CCO2)C1 96049906 YNCKUDBSRLBRKP-MRXNPFEDSA-N 308.378 1.038 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053755 ZMNSSYQOKAJHCG-CALCHBBNSA-N 308.385 1.681 0 40 DDAB Cn1cnc(S(=O)(=O)NC[C@@](C)(O)CCc2ccccc2)c1 96025808 WDMHMAJEVJVJTA-HNNXBMFYSA-N 323.418 1.082 0 40 DDAB Cc1ccccc1CC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414060 UWUPXLAXMBALRY-LBPRGKRZSA-N 314.307 1.817 0 40 DDAB C[C@@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc(-n2cnnn2)cc1 90454052 XUAAZEVHSAITNP-BXUZGUMPSA-N 309.377 1.594 0 40 DDAB CCCNC(=O)c1cccc(C(=O)NCc2ccnn2C)c1 96420649 JRZPRFVVXXKLFS-UHFFFAOYSA-N 300.362 1.490 0 40 DDAB Cc1nc(C(=O)NC2CCOCC2)cc([C@@H]2CCCNC2)n1 257305617 SQUNTSQSTXHWAU-GFCCVEGCSA-N 304.394 1.161 0 40 DDAB COc1ccc(C[C@@H]2CN(C(=O)c3ccnn3C)CCO2)cc1 257263527 LQIRGFUOXUAVHV-OAHLLOKOSA-N 315.373 1.512 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CCO[C@@H](c2ccncc2)C1 257200189 ACIFNKLTMJZPOX-OAHLLOKOSA-N 310.357 1.963 0 40 DDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cncnc4)C[C@@H]32)nn1 257335072 YIOGXZLBKNSRQM-IXDOHACOSA-N 324.432 1.922 0 40 DDAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257249346 JHVCEAYDZXSXDJ-AWEZNQCLSA-N 315.377 1.878 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)n1 257269380 MPSMQLPETJLZID-HNNXBMFYSA-N 315.421 1.948 0 40 DDAB C[C@@]1(C(N)=O)CN(Cc2c[nH]nc2-c2cccs2)CCO1 257274843 NMWJOEBJXUEUCU-AWEZNQCLSA-N 306.391 1.214 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2c[nH]cn2)C1 257239596 HQBGZHRZHSYJPE-NSHDSACASA-N 300.366 1.336 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O 262550487 SKAAMYNXJTUTHG-GFCCVEGCSA-N 323.374 1.001 0 40 DDAB CC(C)[C@@H](CNC(=O)Cc1cccc(F)c1)N1CCOCC1 41934397 JVDIUORIMHBZAD-MRXNPFEDSA-N 308.397 1.841 0 40 DDAB CC(C)Sc1n[nH]c(NS(=O)(=O)c2cncc(F)c2)n1 390834390 XUHSQWYQYVFVDM-UHFFFAOYSA-N 317.371 1.640 0 40 DDAB COc1ccc(C(=O)N[C@H](Cn2ccnn2)C(C)C)cc1F 575609276 UCUPIABHCAQAPJ-CYBMUJFWSA-N 306.341 1.880 0 40 DDAB COCC(=O)N1CC2(C[C@@H](OCc3cncc(C)c3)CCO2)C1 575406211 YFFSDIRKZFFOIF-HNNXBMFYSA-N 320.389 1.313 0 40 DDAB CCC1CCC(N(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)CC1 58282954 XDEJSRAIBYKCQG-UHFFFAOYSA-N 319.405 1.496 0 40 DDAB COC(=O)C[C@@H](NC(=O)CCCn1cncn1)c1cccs1 54205186 YZUGOPKAGRAURG-LLVKDONJSA-N 322.390 1.540 0 40 DDAB O=C(CNC(=O)NCc1ccsc1)NCCc1ccccc1 58559880 LOBIHKSJQHVJTN-UHFFFAOYSA-N 317.414 1.906 0 40 DDAB Cn1cc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCO3)cn1 69349581 KIXLPQHEHNRYNN-UHFFFAOYSA-N 323.374 1.362 0 40 DDAB NC(=O)c1csc(C(=O)N2CCC[C@H](n3cccn3)C2)c1 69377913 RRZMKQSFJXRGFQ-NSHDSACASA-N 304.375 1.521 0 40 DDAB O=C(NCCc1nnc2n1CCC2)c1cc(=O)[nH]c2ccccc12 69538600 OUBJOEWMIKXZKV-UHFFFAOYSA-N 323.356 1.038 0 40 DDAB CN(CCCNC(=O)NCc1cccnc1)CC(F)(F)F 71798625 KGEQBOCWMSPNBD-UHFFFAOYSA-N 304.316 1.765 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCC(Oc3ncccn3)CC2)C1 85557072 CZXFHAXDAGAZPQ-CYBMUJFWSA-N 304.394 1.188 0 40 DDAB C[C@H](Nc1cncc(Cl)n1)c1cccc(S(N)(=O)=O)c1 96453254 KRYFFOYLFBZJOO-QMMMGPOBSA-N 312.782 1.951 0 40 DDAB O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)N1CCCCC1 45769 RDTBXUREIFVVBN-CMDGGOBGSA-N 302.330 1.892 0 40 DDAB CCN(CC)C(=O)CSc1nnc(-c2cccc(F)c2)n1N 5675303 SEPFBOUOCRBAJQ-UHFFFAOYSA-N 323.397 1.759 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cccnc1 12666982 BJFCENRZBJDDSB-LBPRGKRZSA-N 316.386 1.300 0 40 DDAB CCCCCNC(=O)/C=C/c1ccc(OCC(N)=O)c(OC)c1 12994527 IKVVFPRIHKNAAC-VQHVLOKHSA-N 320.389 1.879 0 40 DDAB CN(C)CCCn1ccc2nc(N3CCCCC3)ncc2c1=O 13638609 NRBMTVWETVWPRG-UHFFFAOYSA-N 315.421 1.734 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCOCC3)c12 14898723 OAUWVWMIKAXYFE-UHFFFAOYSA-N 300.362 1.627 0 40 DDAB CCCCCNC(=O)CCc1ccc(S(=O)(=O)NC)cc1 17322431 JMZSYKJIBBJNNL-UHFFFAOYSA-N 312.435 1.834 0 40 DDAB C1CNC[C@H](CCc2nc(N3CCCC3)nc3c2CNCC3)C1 19015014 FCZGGDMTTUQECS-AWEZNQCLSA-N 315.465 1.655 0 40 DDAB CC(C)N1CCc2nc3ccc(C(=O)O)cc3c(=O)n2CC1 19448637 AXWFUEINZUXACY-UHFFFAOYSA-N 301.346 1.361 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 74414 KTMGPIGNLAPLER-ZDUSSCGKSA-N 323.345 1.800 0 40 DDAB in-vitro CS(=O)(=O)NC[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 643585649 VOOGWMCFKIFKNR-LERXQTSPSA-N 317.382 1.283 0 40 DDAB Cc1cc(N2CCC(CNC(=O)[C@H]3CCOC3)CC2)ccn1 1888842750 OGUDHFVIMNKWFS-HNNXBMFYSA-N 303.406 1.759 0 40 DDAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)nn1 1776009876 VYLBRTUGJDAMPN-QWRGUYRKSA-N 320.784 1.673 0 40 DDAB CN1CCCC[C@]2(CN(Cc3ccc(Cl)cn3)CCO2)C1=O 2037984120 REISTCMMDJMMTB-INIZCTEOSA-N 323.824 1.948 0 40 DDAB O=C(CC1(O)CCC1)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 1074241104 BYMBDTSDUQWTPZ-GJZGRUSLSA-N 308.422 1.003 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)c(C)c1 4583799 JUQWVUXGUGFNJK-UHFFFAOYSA-N 317.389 1.371 0 40 DDAB CNC(=O)CSc1nnc(-c2c(C)nc3sccn23)n1C 23141477 NDBJDFNMFLGVTL-UHFFFAOYSA-N 322.419 1.338 0 40 DDAB COCCCNC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 35592712 JKDDANRHPTWVGZ-UHFFFAOYSA-N 318.329 1.766 0 40 DDAB CCNCCNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100602539 KWKLEOJHTKDUBM-UHFFFAOYSA-N 303.362 1.066 0 40 DDAB COc1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1F 40554762 GPHYXXGBZVNXST-UHFFFAOYSA-N 312.322 1.260 0 40 DDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)cc1 65506 AGVQWRRBKQXJSG-ZDUSSCGKSA-N 300.318 1.836 0 40 DDAB Cc1c(C(=O)N2CCOC[C@H]2C)sc2ncn(C)c(=O)c12 46256233 UMWXBZJVBRGQGR-MRVPVSSYSA-N 307.375 1.164 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](n2cccn2)C1 69416278 LIZFPHICLINXBQ-OAHLLOKOSA-N 323.360 1.336 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1C 787157 VFQWUIWXBYGQQK-LBPRGKRZSA-N 306.362 1.374 0 40 DDAB CCOC1CCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 69455575 BCOSTCDZWGBQHB-UHFFFAOYSA-N 305.378 1.496 0 40 DDAB CC1(C)CN(C(=O)c2ccccc2N2CCOCC2)CCO1 69462744 XDAUSXAKMGCKQZ-UHFFFAOYSA-N 304.390 1.774 0 40 DDAB O=C1CN(Cc2ccccc2)CC(=O)N2Cc3ccccc3CN12 1579234 QJECZKCQCXHSBG-UHFFFAOYSA-N 321.380 1.788 0 40 DDAB COc1cc(CCCC(C(=O)O)C(=O)O)cc(OC)c1OC 1594178 GEPGZJKFDKYVHK-UHFFFAOYSA-N 312.318 1.821 0 40 DDAB CCOC(=O)[C@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(C)C 1761439 MXYBMLFDVFOETP-GHMZBOCLSA-N 316.423 1.000 0 40 DDAB CC(=O)N[C@@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)C(C)=O 2028516 NEZXCCWOJHPRJA-AWEZNQCLSA-N 321.329 1.173 0 40 DDAB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2s1 2722857 FHXGDBXIEYMWDZ-UHFFFAOYSA-N 317.370 1.676 0 40 DDAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(NC(=O)c1ccccc1O)C2=O 3098065 WCNSSBRGCNUNTP-APPDUMDISA-N 316.357 1.848 0 40 DDAB CCN(CC)CCNC(=O)CCc1nc(-c2cccnc2)no1 46417729 RSTLPLPVBHANKA-UHFFFAOYSA-N 317.393 1.522 0 40 DDAB COC(=O)[C@@H](C)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O 4139882 GYVRAJGFVYFCHK-SNVBAGLBSA-N 313.317 1.020 0 40 DDAB C[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)n1cncn1 29961774 KJWMQAUSESLYEJ-LBPRGKRZSA-N 313.361 1.282 0 40 DDAB COc1ccc(CCC(=O)N2CC[C@@H](C(N)=O)C2)cc1Cl 41130735 JVLZAQJMNCDTPF-LLVKDONJSA-N 310.781 1.615 0 40 DDAB O=S(=O)(NCCc1c[nH]cn1)c1cccc2cccnc12 6622624 BSLZWNBGURVJPZ-UHFFFAOYSA-N 302.359 1.479 0 40 DDAB O=C(CSc1nc(-c2ccco2)n[nH]1)NCC(F)(F)F 32873570 ZMBNHUWKNJIUIU-UHFFFAOYSA-N 306.269 1.835 0 40 DDAB S=C(NCc1cccs1)N1CCN(c2ncccn2)CC1 7982708 GFGNACJIPAOTFF-UHFFFAOYSA-N 319.459 1.735 0 40 DDAB COc1cccc(CNC(=O)N2CCC3(CC2)OCCO3)c1 32923865 JRRZMXJEJNJHGJ-UHFFFAOYSA-N 306.362 1.744 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 32958231 YDSSSXAYAWKAAK-RYUDHWBXSA-N 320.389 1.962 0 40 DDAB CCNC(=O)NC(=O)CNc1cc(C(=O)OC)cc(F)c1C 69452486 BHBRXOUUJWPUKK-UHFFFAOYSA-N 311.313 1.178 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 69739209 AKDMZVRXJPFSBN-CVEARBPZSA-N 312.417 1.962 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CC(c2ccccc2)=NO1 69740057 HDGPAXOHUSBQFK-BXUZGUMPSA-N 324.402 1.119 0 40 DDAB Cc1cccc(-c2nnc([C@H](C)N3CCN(CCO)CC3)o2)c1 69771978 JCGMVUUPWWSDMH-AWEZNQCLSA-N 316.405 1.716 0 40 DDAB CO[C@H](C)CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69737544 WERBMLPRBMZHJA-ZBFHGGJFSA-N 306.406 1.289 0 40 DDAB CCO[C@H](C)C(=O)NC[C@@](C)(NC(=O)[C@@H](C)OCC)C(C)C 75612088 NHNFHJDBVKMHQP-XJKCOSOUSA-N 316.442 1.484 0 40 DDAB CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@H](C)c1nnc2ccccn12 106097948 LQMUGIIWPIZMDQ-YNEHKIRRSA-N 317.393 1.999 0 40 DDAB CCC[C@@H]1SCCN1C(=O)CSc1nnnn1C1CC1 76017315 WRIUEHGIFHYCIV-NSHDSACASA-N 313.452 1.802 0 40 DDAB COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)C[C@@H]2O 1394840 JISVZQDTSKRCPM-IUCAKERBSA-N 305.252 1.861 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1cccnc1-n1cccn1 25011841 YJNSDQSFQXCUNR-UHFFFAOYSA-N 310.361 1.799 0 40 DDAB CC(C)(C)N1C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC1=O 34928949 CPVQVSILCQNSOF-LLVKDONJSA-N 304.346 1.970 0 40 DDAB COCCN(CCOC)C(=O)COC(=O)c1sccc1C 3295872 NMTYWCXFOQVLGG-UHFFFAOYSA-N 315.391 1.335 0 40 DDAB O=C(/C=C/c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 25832683 NCOPHBPZVMEGSO-ZZXKWVIFSA-N 312.348 1.978 0 40 DDAB COc1ccccc1NC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 26225044 YCDOCWNFJICKGU-CHWSQXEVSA-N 307.394 1.926 0 40 DDAB O=C(NC[C@H]1CCCOC1)N1CCN(c2nccs2)CC1 57161930 BZBKRUXASYLPFQ-GFCCVEGCSA-N 310.423 1.401 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1F 35390764 HJIWDUHDEHKEMW-NSHDSACASA-N 303.355 1.912 0 40 DDAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1nncs1 20613091 MRWFVXCEPDJJBO-UHFFFAOYSA-N 311.388 1.974 0 40 DDAB COc1ccc(S(=O)(=O)N(C)c2cccc(OC)n2)cc1 26716736 CPXYVYZBVBXCFN-UHFFFAOYSA-N 308.359 1.924 0 40 DDAB COc1cc(C(=O)Nn2c(C)nnc2C)ccc1OC(F)F 10027238 KIFMNUGDDRRMHS-UHFFFAOYSA-N 312.276 1.889 0 40 DDAB CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1 44744123 ACVHSPHGIDECNR-QWHCGFSZSA-N 323.441 1.225 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)N1CCCCCC1)c1ccco1 44895798 LNNHTJMGQASKKF-CYBMUJFWSA-N 315.439 1.593 0 40 DDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2F)C1 58290479 AHBUUKWKQNARFD-VIFPVBQESA-N 318.345 1.575 0 40 DDAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1ccccn1 27824684 LKFGWLPSDHEAMJ-UHFFFAOYSA-N 319.386 1.827 0 40 DDAB C[C@H](OCC1CC1)C(=O)NCC(=O)N1CCCc2ccccc21 58281298 CGSBTUWZVHGHEZ-ZDUSSCGKSA-N 316.401 1.897 0 40 DDAB COc1cc(C)cc2oc(=O)c(CC(=O)NCC(=O)O)c(C)c12 2115624 BVZFNTCBXORKHQ-UHFFFAOYSA-N 319.313 1.162 0 40 DDAB biogenic Cc1ccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)cc1C 3361805 HWRKLXOROIVRQZ-UHFFFAOYSA-N 300.314 1.732 0 40 DDAB Cc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)s1 44968256 XGFAMCLWQBTYRM-UHFFFAOYSA-N 317.418 1.878 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccnc2)o1 44918251 VGKNBGCKBVBSCI-SECBINFHSA-N 309.347 1.074 0 40 DDAB CN(C)CCNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 12751626 AGFRSMMTTYYPAO-UHFFFAOYSA-N 318.826 1.182 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccco3)[nH]n2)c(=O)[nH]1 28485182 LIRAXSIBOVJSBQ-UHFFFAOYSA-N 312.329 1.905 0 40 DDAB COc1ccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CCCC2)cc1 58809838 LUQCPMFWZMSDSV-CYBMUJFWSA-N 316.401 1.841 0 40 DDAB CC(C)CNC(=O)CN(C)CC(=O)Nc1ccccc1Cl 13058214 VZTOYVAKDDWDEP-UHFFFAOYSA-N 311.813 1.983 0 40 DDAB CN(CC(N)=O)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 48871665 YUUNXHIHOFDWCB-UHFFFAOYSA-N 318.204 1.369 0 40 DDAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C 67889743 MONGWNTWWUKWSN-RISCZKNCSA-N 309.410 1.874 0 40 DDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)cc1C 63194007 AUEUMBVSKXSIGL-OCCSQVGLSA-N 312.435 1.894 0 40 DDAB CN(C)c1ccc(CCNC(=O)NCCn2ccnc2)cc1 69586845 RTBDYHYXNGNKLV-UHFFFAOYSA-N 301.394 1.491 0 40 DDAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 6053469 HEEZPSSKUBKMPA-AWEZNQCLSA-N 324.402 1.589 0 40 DDAB CCS(=O)(=O)NCc1ccc(OCCN2CCCC2)cc1 69814579 RKZWDSSMGVSXQY-UHFFFAOYSA-N 312.435 1.601 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3ccco3)CC2)n1 6233312 PBSHPZBHEPAYOY-UHFFFAOYSA-N 302.334 1.349 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCO[C@H](CN(C)C)C1 69808433 FUTRTMIFIQZHMR-GOEBONIOSA-N 317.433 1.227 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65477764 GXRVNRQUXPHYRU-OAHLLOKOSA-N 317.433 1.493 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NC(=O)CC[C@H]1CCCO1)CC2 65475823 ANUAOHLDAWOJDW-QWHCGFSZSA-N 306.410 1.792 0 40 DDAB COCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1 4933110 WJVJLWNXKDVQEO-UHFFFAOYSA-N 305.334 1.440 0 40 DDAB COc1ccccc1C(=O)NCCNC(=O)c1ccc(C)nc1 4985512 FJOFXBMSSLZIGK-UHFFFAOYSA-N 313.357 1.558 0 40 DDAB CC(=O)c1ccc(N2CCN(C(=O)Cn3cccn3)CC2)cc1 27079834 HHNDXCZZACRBQP-UHFFFAOYSA-N 312.373 1.435 0 40 DDAB CC(=O)Nc1ccc(OC(=O)/C=C2/SC(=O)NC2=O)cc1 16956749 BRVYPDYAQBVFLL-UXBLZVDNSA-N 306.299 1.417 0 40 DDAB COc1cc(C(=O)N(C)CC(=O)NC(C)C)cc2c1OCCO2 8354625 DOHZGAYEFXKIMH-UHFFFAOYSA-N 322.361 1.063 0 40 DDAB Cn1ccnc1CN1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@@H]21 306132841 LTZMMCAFHJEVIP-OFQRWUPVSA-N 301.394 1.296 0 40 DDAB O=C(CNC(=O)NC1CC1)NCCc1nc2c(s1)CCCC2 71799393 INQBFYJXSQQWTD-UHFFFAOYSA-N 322.434 1.142 0 40 DDAB CCN(C(=O)CNC(=O)c1ccccn1)c1nc(C)cs1 96444807 VJHKIJILIZDEFA-UHFFFAOYSA-N 304.375 1.629 0 40 DDAB CCn1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2ccccc21 71871101 BMROIBAQMUEIJE-AWEZNQCLSA-N 315.417 1.800 0 40 DDAB CN1CCN(c2ncccc2CNCc2cccc(O)c2)CC1 71850029 CIIUEYVTROJJGZ-UHFFFAOYSA-N 312.417 1.829 0 40 DDAB O=C(O)C[C@H](NC(=O)COCC(F)(F)F)c1ccccc1 72281685 LNRUXGKGTHXWGW-JTQLQIEISA-N 305.252 1.898 0 40 DDAB CN(C)[C@H](CNC(=O)NC[C@@H]1CC=CCC1)c1cnn(C)c1 72287702 HYKSBDGOZNDVNH-UKRRQHHQSA-N 305.426 1.678 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)c3ccc4cc[nH]c4c3)C2=O)cn1 72287329 RUCASTPNIMVUDG-CQSZACIVSA-N 323.356 1.437 0 40 DDAB CN1C[C@H](NC(=O)c2ccccc2NCc2cccnc2)CC1=O 78995669 MSWZDHKPACZLAZ-CQSZACIVSA-N 324.384 1.654 0 40 DDAB CC1CCC(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 78961257 OAOWMJRQCISXRS-UHFFFAOYSA-N 319.409 1.357 0 40 DDAB O=C(CN1CC[C@H](CNc2ccccn2)C1)NCc1ccco1 97200514 IKWHZCHPPAJHQX-CQSZACIVSA-N 314.389 1.725 0 40 DDAB Cn1cc(CCC(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)cn1 84318288 UNUMBBBLSYMTMM-GFCCVEGCSA-N 319.327 1.923 0 40 DDAB O=C(CN(CCO)Cc1ccsc1)NCc1cccs1 84442227 GWKOUSMEBDPQIQ-UHFFFAOYSA-N 310.444 1.920 0 40 DDAB CC(C)=CCOc1cccc(C(=O)NC[C@@]2(O)CCOC2)c1 95438455 VLIGYEITMDSMIU-KRWDZBQOSA-N 305.374 1.913 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC[C@H]3CCC[C@@H]3O)c2n1 95441181 DDSPRPACNFWPNX-KGLIPLIRSA-N 320.414 1.983 0 40 DDAB O=C(CC1(O)CCCC1)N1CCN(c2ccc(O)cc2)CC1 95419038 CZNJMNJQGKTXSG-UHFFFAOYSA-N 304.390 1.736 0 40 DDAB CCC1CCN(S(=O)(=O)N2CCCC[C@@H]2CNC)CC1 88989074 AHBQYPYGFPZUSD-CQSZACIVSA-N 303.472 1.427 0 40 DDAB COc1ccccc1OCCN(C)C(=O)c1ccc(C)[nH]c1=O 75120692 GTYYQSGKJVSNPB-UHFFFAOYSA-N 316.357 1.843 0 40 DDAB O=C(NCCc1nnc2n1CCC2)NCc1ccccc1Cl 75103676 SLOPALIZIDLQAN-UHFFFAOYSA-N 319.796 1.920 0 40 DDAB Cc1cnc(CN(C)[C@H]2CCN(CCc3cnn(C)c3)C2)o1 89702294 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DTLOXENQPUGZCG-CQSZACIVSA-N 306.362 1.804 0 40 DDAB O=C(O)[C@@H](Cc1ccc(Br)cc1)N1CCOCC1 41566927 NQNCSMZLLMSNLI-GFCCVEGCSA-N 314.179 1.777 0 40 DDAB Cc1cc(C(=O)N2CC(C(=O)Nc3ncc(C)s3)C2)no1 70811461 QFGMMNGPTDAYTQ-UHFFFAOYSA-N 306.347 1.459 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)[C@@H](NC(C)=O)C(C)C)cc1 40040754 BORJWPYEUWTJCE-HNNXBMFYSA-N 305.378 1.422 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCc1ccccn1)O2 40779202 JMANUZQHQGHAMU-QGZVFWFLSA-N 311.341 1.796 0 40 DDAB CCc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1 224239873 RABBZLDCPCAQMP-UHFFFAOYSA-N 320.418 1.584 0 40 DDAB O=C(CN1CCN(C(=O)c2c(O)cccc2F)CC1)C1CC1 225398745 ZBPLTHBGRPMWOG-UHFFFAOYSA-N 306.337 1.268 0 40 DDAB O=C(O)[C@H](N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12 40165667 IUYNKRBKKSUGHN-NOZJJQNGSA-N 308.359 1.070 0 40 DDAB O=S(=O)(NCc1cccnn1)c1c(F)c(F)cc(F)c1F 225754629 ZOMVVOQNFMGGCF-UHFFFAOYSA-N 321.255 1.512 0 40 DDAB COc1ccc2nnc(C(=O)NCc3csc(C)n3)nc2c1 46088262 AFUWNYYGEXNXPS-UHFFFAOYSA-N 315.358 1.728 0 40 DDAB Cn1ccc(CCC(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 571304383 LHBVXXOBEYVSDN-MRXNPFEDSA-N 320.437 1.066 0 40 DDAB CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)CCO 83025102 ILYJISFFHVOMCY-UHFFFAOYSA-N 315.782 1.384 0 40 DDAB O=C(CN(C[C@@H]1CCC=CO1)C[C@@H]1CCCO1)N1CCCC1 225580459 HXHHPZKOUNUUJN-HOTGVXAUSA-N 308.422 1.783 0 40 DDAB NC(=O)CN[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 199430926 HBWYSCFQDSCZQL-KRWDZBQOSA-N 309.369 1.459 0 40 DDAB CS(=O)(=O)CCN1CCC(NC[C@@H]2CC=CCC2)CC1 95434000 LGDOTJYELBTFNZ-CQSZACIVSA-N 300.468 1.441 0 40 DDAB O=C(O)[C@@H]1CCCN(c2nccn(Cc3ccccc3)c2=O)C1 96530543 LUFFNTKDZUXFQA-CQSZACIVSA-N 313.357 1.593 0 40 DDAB CC(C)CC(=O)N1CC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96218794 JIMOZIWSBPOZBY-CJNGLKHVSA-N 305.378 1.662 0 40 DDAB COCC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96062851 JHDOQYGHWCCDSA-UHFFFAOYSA-N 303.406 1.543 0 40 DDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)c2cnoc2C)C3)o1 96064871 NTGFANUBBQIWJB-IUODEOHRSA-N 318.333 1.247 0 40 DDAB Cc1ccc(N2CC[C@H]3[C@@H](CC2)OCCN3CC2CC2)nn1 96082208 QKBXDFSSZSDOGK-JKSUJKDBSA-N 302.422 1.865 0 40 DDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CCCO1 96209516 IKCFLWPXZGJBNA-PBHICJAKSA-N 317.389 1.084 0 40 DDAB Cc1cc(-c2nnc3sc(-c4snnc4C)nn23)n(C)n1 95479409 AFXDSHMMJZSQNS-UHFFFAOYSA-N 318.391 1.722 0 40 DDAB Cc1ccc(N[C@H]2CO[C@]3(CCN(C(=O)CC4CC4)C3)C2)nn1 96219565 VLLFNHNZKUKHDG-RHSMWYFYSA-N 316.405 1.757 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1 96206646 KSOCMIRQQQGEND-WMLDXEAASA-N 318.421 1.767 0 40 DDAB Fc1cnc(N2CCO[C@@H]3[C@@H](Cn4ccnc4)CC[C@H]32)nc1 96082624 JDRAHXOWXAXKNN-MRVWCRGKSA-N 303.341 1.496 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@@H](c3[nH]ncc3C)C2)CC1 257259234 KXKUSHZQFXWCHB-OAHLLOKOSA-N 320.437 1.271 0 40 DDAB CNC(=O)[C@@]1(C)CN(Cc2c[nH]nc2-c2cccs2)CCO1 257263381 LPQFBEBTOKVDLO-OAHLLOKOSA-N 320.418 1.475 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(Cc2cnn(C)c2)C1 257251158 JPROEHCYONACLX-ZDUSSCGKSA-N 300.410 1.707 0 40 DDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCNCC1 257321722 WCXOLBPWGLTKMV-UHFFFAOYSA-N 324.450 1.337 0 40 DDAB Cn1nccc1CCC(=O)N1CCO[C@H](c2ccncc2)C1 257252300 JUGWHEMSUQBVMO-HNNXBMFYSA-N 300.362 1.348 0 40 DDAB CN1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1ccccc1 257201006 AFTOBYGGAYQUMK-MRXNPFEDSA-N 317.414 1.759 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@H](c3cc(O)nc(C)n3)C2)n1 257299004 ROHQLWJTAQXQPI-CYBMUJFWSA-N 301.350 1.475 0 40 DDAB O=C(O)CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2ncncc2C1 647733949 KQNMMZUHRXKEAN-OCCSQVGLSA-N 317.389 1.827 0 40 DDAB CC(=O)c1sc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)nc1C 575423392 PTOWZWZJVWSVTM-QMMMGPOBSA-N 315.376 1.086 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)c3nccc4ccccc34)CC2)N1 58419144 DZFYRVYQPNWLBN-UHFFFAOYSA-N 324.340 1.049 0 40 DDAB C[C@@H](CC(=O)NCCC(=O)N1CCOCC1)c1ccc(F)cc1 58202674 KHMWTKADBOUOAC-ZDUSSCGKSA-N 322.380 1.684 0 40 DDAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCNC(=O)[C@H]2C)c1 58342710 JBAGXZJAVPXUET-MNOVXSKESA-N 310.781 1.763 0 40 DDAB CC[C@@H](C)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1 58342949 SVTVPPRLHPLWJJ-SNVBAGLBSA-N 318.464 1.846 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)NCC[C@@H]1CCCO1)C2 69322351 LRKUCNKDMOIDRL-KBPBESRZSA-N 305.374 1.932 0 40 DDAB CCCc1noc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)n1 69589553 PGAQAIDAQSIWCW-KGLIPLIRSA-N 306.410 1.997 0 40 DDAB CN(C)S(=O)(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 69699701 OUQUMRZFHXEVPX-CYBMUJFWSA-N 312.391 1.289 0 40 DDAB CO[C@]1(CNS(=O)(=O)c2ccc(F)c(C)c2)CCSC1 96097658 NWIZKSOUXKYATQ-ZDUSSCGKSA-N 319.423 1.935 0 40 DDAB O=C1c2ccccc2C(=O)N1[C@H]1Cc2nc3ccccc3n2C1=O 12967495 HODZCEVLJZMWHD-AWEZNQCLSA-N 317.304 1.897 0 40 DDAB CN(C(=O)Cn1c(=O)n(C)c2ncccc21)C1CCCCC1 13265417 FBBZPJXJDVNGSO-UHFFFAOYSA-N 302.378 1.526 0 40 DDAB CCn1nnc2c(SCC(=O)Nc3cc(C)on3)ncnc21 13532221 GXZDHWCMGZNJEI-UHFFFAOYSA-N 319.350 1.268 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O 13639101 RKKZDESZTPGZSN-HRCADAONSA-N 315.417 1.977 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 13691138 ZKYZQJSBUSLLBQ-JTQLQIEISA-N 305.725 1.762 0 40 DDAB Nc1nc(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2[nH]1 16982837 SFMWKHDNKKSIFL-UHFFFAOYSA-N 311.132 1.452 0 40 DDAB CN(C)CCCNC(=O)CSc1ncnc2ccccc12 19117537 GUPZJJYXJYZNLT-UHFFFAOYSA-N 304.419 1.790 0 40 DDAB CCCC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)ncc2C1 19501624 WIDQTXVFDNELSR-CYBMUJFWSA-N 302.422 1.971 0 40 DDAB Cc1ccc(F)cc1C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O 527560493 KDPFZMLNGBSHKF-SUNKGSAMSA-N 318.352 1.537 0 40 DDAB O=C(COc1ccccc1F)N1CC(OCC(F)(F)F)C1 390829320 DNQYIOXSGLJMPJ-UHFFFAOYSA-N 307.243 1.994 0 40 DDAB COc1cc(OC)nc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)n1 1889077221 MQWKKVVVWAOWOY-SNVBAGLBSA-N 308.382 1.235 0 40 DDAB COCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1cc[nH]c1)CC2 1146887754 DRBFKHKVMQQORU-AWEZNQCLSA-N 315.373 1.110 0 40 DDAB CC(C)OCc1nn(C)c2c1CCN(C(=O)c1csnn1)C2 1565551855 LDVBITKAVCHAMR-UHFFFAOYSA-N 321.406 1.395 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@H]2O1 1565546811 DWCDCPYCAOAFTP-MELADBBJSA-N 324.396 1.411 0 40 DDAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2Cc3ccccc3CN12 1430715 GNGZJTLHEDWLAM-ROUUACIJSA-N 318.376 1.907 0 40 DDAB CCc1ncnc(N2CC[C@H](Oc3ncc(OC)cn3)C2)c1F 2086884659 DNWCQIVLCRZPEX-JTQLQIEISA-N 319.340 1.634 0 40 DDAB COc1ncccc1C(=O)NCc1cccnc1-c1cnn(C)c1 575617454 BJNAGTXYPQRBIU-UHFFFAOYSA-N 323.356 1.816 0 40 DDAB Cc1noc([C@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 40105843 CMGSTGNAVUUHEK-ZDUSSCGKSA-N 314.389 1.826 0 40 DDAB Cn1ccs/c1=N\C(=O)c1cccc(NS(C)(=O)=O)c1 30992558 QCCMPEUGSVHDLI-SEYXRHQNSA-N 311.388 1.199 0 40 DDAB CN(C)[C@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)C1CC1 40555020 KSBHJHNODVAFNF-ZIAGYGMSSA-N 319.405 1.466 0 40 DDAB C[C@H]1CN(C(=O)Nc2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 40526638 WRSKOZAHCFNYTF-PHIMTYICSA-N 302.338 1.303 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1nccn1CC(F)(F)F 101196119 UPVMVZQRIQLQDE-NXEZZACHSA-N 313.279 1.897 0 40 DDAB Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccnc1 416655 OTSIEODFYUSNLZ-UHFFFAOYSA-N 305.407 1.884 0 40 DDAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](C(C)C)N(C)C)C1 46194711 UNOJEIJJWGAPDC-LSDHHAIUSA-N 311.470 1.583 0 40 DDAB COc1cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc1NC(C)=O 7212485 RRRCOELGBUOZBF-JTQLQIEISA-N 314.407 1.976 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)CCC1 69415768 FZKYSVKEPTXJJP-ZDUSSCGKSA-N 304.394 1.271 0 40 DDAB O=C(CCc1cccs1)NCc1ccc(-n2cncn2)nc1 60474120 JKWNLFLMZNYSNI-UHFFFAOYSA-N 313.386 1.973 0 40 DDAB Cc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)s1 8342665 SMHUDLFCNMVXKS-UHFFFAOYSA-N 316.342 1.842 0 40 DDAB CS[C@@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 60691115 ORXWDLPNRPXCHT-NEPJUHHUSA-N 309.435 1.674 0 40 DDAB Cc1ccc(-c2nnc([C@@H](C)N3CC[C@H](C(N)=O)C3)o2)cc1 52942386 GIABEFAOIPLKIG-YPMHNXCESA-N 300.362 1.913 0 40 DDAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1 22159188 YMOPYIPNMULDML-UHFFFAOYSA-N 312.322 1.972 0 40 DDAB CN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccn1 9644378 FRCFQNZQYQMLFO-UHFFFAOYSA-N 319.386 1.609 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863741 SDLIHHYMVOFFFK-MEBBXXQBSA-N 323.418 1.820 0 40 DDAB COc1ccc(S(=O)(=O)NC2CCN(C)CC2)c(C)c1C 117357805 MYVUHZZCWVRGQG-UHFFFAOYSA-N 312.435 1.685 0 40 DDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1noc(-c2ccco2)n1 47350392 AOFJFPCIQIOCJP-ZDUSSCGKSA-N 320.330 1.257 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2ccc3ccccc3n2)n1 12487932 HJWBRBDJWHVFIS-UHFFFAOYSA-N 324.344 1.425 0 40 DDAB Cn1nc(C(=O)/N=c2\ccccn2Cc2ccccc2)ccc1=O 105321601 LHZQXYFBJPHIFL-KNTRCKAVSA-N 320.352 1.371 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 24776778 UGZVYBPKXMAYSX-UHFFFAOYSA-N 316.810 1.448 0 40 DDAB COc1ccc(-c2noc(CN3CCO[C@H](C)C3)n2)cc1OC 25755844 VYAAFHDAZJTVLH-LLVKDONJSA-N 319.361 1.975 0 40 DDAB CC(=O)N(C)Cc1cccc(NC(=O)c2cnn(C)c2C)c1 25961103 KGNHZWNPCURCMK-UHFFFAOYSA-N 300.362 1.959 0 40 DDAB O=C(COc1ccc2c(c1)CCC2)NCC(=O)N1CCCC1 10116679 DPDJXQQLBUFUNE-UHFFFAOYSA-N 302.374 1.293 0 40 DDAB O=C1CNC(=O)N1Cc1csc(COc2ccc(F)cc2)n1 44896598 DYMRWGBQUWQHKV-UHFFFAOYSA-N 321.333 1.913 0 40 DDAB Cc1ccnc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 27647752 GMQYZSIGYNQVNE-VXGBXAGGSA-N 301.346 1.504 0 40 DDAB COCCOCCNC(=O)C1(c2ccc(C)c(OC)c2)CC1 58277995 LTRACGMQQTWKGD-UHFFFAOYSA-N 307.390 1.814 0 40 DDAB CC(=O)c1ccc(N2CCN(Cc3nnc(C)n3C)CC2)cc1 44945241 GHQFWMICCIKLPV-UHFFFAOYSA-N 313.405 1.648 0 40 DDAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CCCCNC1=O 44939698 HIPLGCABJGGWLY-OAHLLOKOSA-N 312.373 1.200 0 40 DDAB COc1cc(C)c(S(=O)(=O)N2CCO[C@H](C)C2)cc1OC 27967238 OEOWSPJNMOYCCF-LLVKDONJSA-N 315.391 1.422 0 40 DDAB O=c1[nH]c(=O)n(C[C@H](O)c2ccc(F)cc2F)cc1Cl 76091444 WEDMNXYGSRIEAA-JTQLQIEISA-N 302.664 1.202 0 40 DDAB O=C1COc2ccc(C(=O)COC(=O)c3ccco3)cc2N1 3237417 DIPDQETVABFWOH-UHFFFAOYSA-N 301.254 1.650 0 40 DDAB COc1c(CNC[C@@H]2CCS(=O)(=O)C2)c(C(C)C)nn1C 58421656 JFIGGNATUHKAFA-NSHDSACASA-N 315.439 1.076 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCC1=CCCCC1 36618069 YFWSQQKXWNMTSQ-GJZGRUSLSA-N 316.401 1.944 0 40 DDAB O=C(COC(=O)c1ccccc1)NC(=O)NCc1ccco1 3398496 JGFUDYQQVWRJCB-UHFFFAOYSA-N 302.286 1.462 0 40 DDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NC1CCCC1 408708758 MELOJVJQGCTIIY-UHFFFAOYSA-N 317.389 1.822 0 40 DDAB CC(C)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709796 XCZGOZBVLFWQEA-UHFFFAOYSA-N 317.389 1.822 0 40 DDAB Cc1ccc(NCCNC(=O)[C@@H]2COc3ccccc3C2)nn1 69846668 SHPPJLDJQMWHJR-AWEZNQCLSA-N 312.373 1.564 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)COC3)CC1 69951549 JRBNMWWTEVQCOV-MRXNPFEDSA-N 304.390 1.246 0 40 DDAB NC(=O)COc1ccc(Cl)cc1[C@H]1NCCc2[nH]cnc21 65386046 KRHRBRYYPBRGNG-CYBMUJFWSA-N 306.753 1.162 0 40 DDAB C[C@H](CNC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)N(C)C 65440306 QTEPQKMPYULDBQ-LLVKDONJSA-N 317.393 1.015 0 40 DDAB CN(C)c1ncccc1CNS(=O)(=O)Cc1cccc(F)c1 65553566 ZPIAYPORUWVLDZ-UHFFFAOYSA-N 323.393 1.906 0 40 DDAB COc1ccc(C(=O)NCc2cc[nH]c(=O)c2)cc1OC(F)F 65533023 MYONQPLLJITDIC-UHFFFAOYSA-N 324.283 1.915 0 40 DDAB COC[C@H](C)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 5319729 ARKLMCSVCGFOPQ-VIFPVBQESA-N 321.402 1.098 0 40 DDAB CCOC(=O)N1CCN(c2ncc(Cn3cccn3)s2)CC1 5598255 CNURWFUTINBMND-UHFFFAOYSA-N 321.406 1.666 0 40 DDAB CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc([S@](C)=O)cc2)C1 90411932 OQSWZSUISMCOIG-UZRORNOBSA-N 323.462 1.878 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)CC2)cc1 68257779 HKMUYISROWLHPI-BXUZGUMPSA-N 315.373 1.243 0 40 DDAB COc1cc(CO)c(OCc2noc(C3CC3)n2)c(CO)c1 96006433 CJPPPAHYEXYHIT-UHFFFAOYSA-N 306.318 1.519 0 40 DDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(CC2CC2)CC1 71818249 AXYGOEGVAKPIRH-UHFFFAOYSA-N 324.428 1.969 0 40 DDAB NC(=O)c1ccc(=O)n(Cc2cc3ccccc3nc2Cl)n1 71803681 WJBQCULSTBGQEM-UHFFFAOYSA-N 314.732 1.592 0 40 DDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1Cn1cccn1 71866615 FYOQKYBGTZWZIE-HNNXBMFYSA-N 322.372 1.769 0 40 DDAB CCOC(=O)CN(Cc1nnnn1C1CC1)C1CCCCC1 71914569 VEWAUKXHVSVKDM-UHFFFAOYSA-N 307.398 1.706 0 40 DDAB COc1ccc2c(c1)C[C@H](N[C@@H](C)CCS(C)(=O)=O)CC2 97021058 LCYBNINSTNTRJC-SWLSCSKDSA-N 311.447 1.965 0 40 DDAB Cc1cc(CN2CCCC3(C2)OCCO3)ccc1-n1cncn1 97058841 LRZFYQYKGPCKCK-UHFFFAOYSA-N 314.389 1.915 0 40 DDAB Cn1cc(Br)c(=O)c(NC(=O)c2cscn2)c1 97050196 ODGMFOKMODNJMF-UHFFFAOYSA-N 314.164 1.857 0 40 DDAB C[C@](NC(=O)c1cnn(Cc2ccccc2)c1)(C(=O)O)C1CC1 97036224 VRVWVEAMXQWOCM-QGZVFWFLSA-N 313.357 1.915 0 40 DDAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H](O)c1ccccc1 84519395 FGPZFJWRLPBCGY-QGZVFWFLSA-N 308.337 1.878 0 40 DDAB CCCc1cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)n[nH]1 95394606 IMQXBSRBIFSIAO-UHFFFAOYSA-N 300.318 1.945 0 40 DDAB O=C(CN1CCC[C@H]1C(=O)O)NCc1ccc(Cl)s1 95428053 SGKQHVRIHINYPO-VIFPVBQESA-N 302.783 1.567 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccccc2)C1 74216951 HOMYPPWHZKMXHD-HIFRSBDPSA-N 323.414 1.411 0 40 DDAB COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccncc2)cc1 89310242 AQUFCZOWQLUTSB-MRXNPFEDSA-N 315.373 1.965 0 40 DDAB COCCCOc1cccc(NC(=O)[C@@H](C)n2cncn2)c1 89573902 FVRXQZIPKTWUAC-GFCCVEGCSA-N 304.350 1.893 0 40 DDAB COC(=O)C[C@H](NC(C)=O)C(=O)OCc1cc(C)ccc1OC 89616599 NLOLZODPTHRVAB-ZDUSSCGKSA-N 323.345 1.115 0 40 DDAB Cn1cc(C(=O)NS(=O)(=O)[C@H]2CC3CCC2CC3)ccc1=O 408491213 GLKCLFTUIMSKFG-XIVSLSHWSA-N 324.402 1.024 0 40 DDAB CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC 408990172 NBKRPNNZUIBESD-CQSZACIVSA-N 303.362 1.961 0 40 DDAB O=C(Cc1ccccc1)N1CCN(C(=O)Nc2ccon2)CC1 183488281 PJEMAGDCCIOHAT-UHFFFAOYSA-N 314.345 1.593 0 40 DDAB Cn1ccc(CN2CC3(CCOCC3)CC[C@H]2CO)cc1=O 528640372 ORIBNFNLBREPCF-HNNXBMFYSA-N 306.406 1.139 0 40 DDAB COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@]1(C)C(=O)O 530207826 RLAAEQVGBWUVBW-SJKOYZFVSA-N 320.389 1.812 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2)CCO1 532001989 JNFYDTIJQYPTRK-ZDUSSCGKSA-N 313.313 1.069 0 40 DDAB COc1ccccc1CNS(=O)(=O)c1cnn(C(C)C)c1 72239303 QBFJXGCMACVMFQ-UHFFFAOYSA-N 309.391 1.951 0 40 DDAB Cc1c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)cnn1C 78882017 HPTNWLRVFVSPJW-NSHDSACASA-N 324.425 1.961 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NC[C@@H]1COc2ccccc2O1 71282669 BATUTGLUDJGLDN-JIMOISOXSA-N 305.330 1.299 0 40 DDAB C[C@@]1(CNC(=O)c2nccnc2C2CCNCC2)CCCO1 72365725 VNLZLNFQXGLYSL-INIZCTEOSA-N 304.394 1.243 0 40 DDAB O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccccn2)n[nH]1 72219817 IWVSVEOARDLEKJ-UHFFFAOYSA-N 319.324 1.705 0 40 DDAB CCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241330 KAAZGRRYIPVYLX-KGLIPLIRSA-N 310.781 1.765 0 40 DDAB CN1C(=O)C[C@@H](C(=O)N2CCSCC2)[C@H]1c1ccc(F)cc1 72242295 SGWJEPYZMIFVKF-UKRRQHHQSA-N 322.405 1.921 0 40 DDAB O=C(NCCN1CCNCC1)NC[C@@H]1CCCc2ccccc21 565764514 KMJPGWKDWBDVFY-INIZCTEOSA-N 316.449 1.311 0 40 DDAB Cc1cccc(OCCNC(=O)N2CCC(C(N)=O)CC2)c1 30982031 SEFMGQUPXYRZJQ-UHFFFAOYSA-N 305.378 1.281 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 79391404 OEYWHFOMTYYOBG-ZDUSSCGKSA-N 313.442 1.828 0 40 DDAB OCc1nnn2c1CN(c1ccnc(-c3ccccc3)n1)CC2 566481239 GHNFZZDNXNMWEW-UHFFFAOYSA-N 308.345 1.248 0 40 DDAB COc1cccc(C(=O)NCc2nccc(N(C)C)n2)c1OC 224192298 LILXTDWDCSTGMK-UHFFFAOYSA-N 316.361 1.490 0 40 DDAB Cc1cccc(CNC(=O)CN2CC[C@@H](c3n[nH]c(C)n3)C2)c1 570803603 HYPBLMUIAICBHJ-OAHLLOKOSA-N 313.405 1.527 0 40 DDAB Cc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1 224167931 WMSSKZBHQNIQBX-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C[C@H](C)O)[C@@H](C)CO)c(C)c1 190411924 FGPWSIKTFNKAAF-GJZGRUSLSA-N 308.422 1.885 0 40 DDAB COc1cc(C(=O)NC[C@H]2CCCO2)n(-c2ccccc2)n1 227162417 WOQLNDHNWRMQIY-CYBMUJFWSA-N 301.346 1.790 0 40 DDAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(N)cc1 96521364 WRCLRMBATHSFIB-GHMZBOCLSA-N 322.224 1.848 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(F)cc1 96181866 XPNBXIXGKOPZHN-GOEBONIOSA-N 320.364 1.594 0 40 DDAB COC(=O)[C@@H](NC(=O)Cc1n[nH]c2ccccc12)C(C)(C)C 96412460 KSOIXUHINPPGGP-CQSZACIVSA-N 303.362 1.809 0 40 DDAB CO[C@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1cccnc1 96200481 VBZDGWMUGWHJJO-IRXDYDNUSA-N 311.385 1.878 0 40 DDAB CN1CC[C@]2(COCCN(S(=O)(=O)c3cccs3)C2)C1 96201928 DYBZXCDCDRDVPK-ZDUSSCGKSA-N 316.448 1.091 0 40 DDAB CN(C)C[C@@H]1CO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 96240634 NDCKRTTYNCMHTE-CJNGLKHVSA-N 308.378 1.089 0 40 DDAB C[S@@](=O)c1nncn1CC(=O)c1ccccc1OC(F)F 96447751 FPLWGIQRSSIECV-NRFANRHFSA-N 315.301 1.500 0 40 DDAB O=C(C1CCOCC1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107492 GIQJZVLMPMBIDJ-WMZOPIPTSA-N 323.433 1.990 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 96081439 GGLXRTBVRJVCHS-BBWFWOEESA-N 315.417 1.655 0 40 DDAB CC(=O)N1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C2(F)F 96261719 MQRVOVAJAMZCKS-OKILXGFUSA-N 308.328 1.872 0 40 DDAB O=C1CC[C@@H]2[C@@H](CCN2S(=O)(=O)C2CC2)N1c1ccccc1 96110758 QJWGRHMPOHUKGE-HUUCEWRRSA-N 320.414 1.749 0 40 DDAB C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccncc1 96435343 ULIAAJMJWZFAPT-LBPRGKRZSA-N 302.382 1.722 0 40 DDAB CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Oc1ccccc1Cl 96451807 OHBMLSAHTPXRNE-PWSUYJOCSA-N 310.781 1.892 0 40 DDAB Cc1cn2c(=O)c(C(=O)NCc3ccncc3)cnc2s1 92859543 CNBIFGARJNYMJR-UHFFFAOYSA-N 300.343 1.389 0 40 DDAB Cc1ccc2c(c1)[C@@H](NC(=O)c1nccnc1C(N)=O)[C@@H](C)C2 97236482 ULYSBMWYZJXHMA-GWCFXTLKSA-N 310.357 1.547 0 40 DDAB CCCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 244417597 YRSAPNXFQLODGH-UHFFFAOYSA-N 314.407 1.296 0 40 DDAB Cc1ccc(N2CC3(C[C@H](Oc4cccnc4)CCO3)C2)nn1 247906161 JWNHVEGIWWYZEC-CQSZACIVSA-N 312.373 1.997 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2ncoc2C)n1 257333708 YCRWMSYIYLIIFG-LLVKDONJSA-N 304.306 1.001 0 40 DDAB Cc1cnc([C@@H]2CCCN(C(=O)c3cnc(O)nc3O)C2)s1 257244874 INEGUMRHXQDJAN-SECBINFHSA-N 320.374 1.673 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC2(CC1)OCCC[C@H]2O 257239114 HOABQNSYEODAKW-OAHLLOKOSA-N 321.421 1.112 0 40 DDAB COCc1cccc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1 257311841 ULFPWKBCKNWOGC-BRWVUGGUSA-N 318.417 1.551 0 40 DDAB NC(=O)C1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257256698 KMMLMSDHFCOBDS-UHFFFAOYSA-N 310.353 1.969 0 40 DDAB c1ccc(CN2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)nc1 253595517 FMIZHIXGAXVEEN-INIZCTEOSA-N 317.433 1.395 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2F)n[nH]1 257277773 NZHRLFFBWRWUSI-KCPJHIHWSA-N 319.336 1.220 0 40 DDAB C[C@]1(O)CCN(Cc2c[nH]cn2)C[C@@H]1Oc1cccc(F)c1 257207725 BIYPRNPBFYLJRD-HOTGVXAUSA-N 305.353 1.953 0 40 DDAB COc1ccc(OCC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257316046 VDXDOBPIDOVDSP-RDJZCZTQSA-N 321.373 1.216 0 40 DDAB CNC(=O)[C@@H]1CN(C)CCN(c2ccc(C(F)(F)F)cn2)C1 257302114 SBPOEGGISSFOBU-SNVBAGLBSA-N 316.327 1.214 0 40 DDAB COc1ccc([C@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)cc1 257245685 IQQAKLCPTHKGJU-MRXNPFEDSA-N 314.389 1.476 0 40 DDAB COCC(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575405101 SASQUBCSUABAJC-CYBMUJFWSA-N 308.403 1.331 0 40 DDAB O=C(c1cnco1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585276149 MMDPTOWYQFNSGY-INIZCTEOSA-N 320.320 1.260 0 40 DDAB CCC(=O)N[C@@H](CN1CCN(C)CC1)c1ccc(OC)cc1 58393834 RACLVLHFTFRHJX-INIZCTEOSA-N 305.422 1.510 0 40 DDAB C[C@H](OC(=O)c1cc(Cl)ccc1O)C(=O)N1CCNC1=O 58153352 XSWYBXMNWDJUSU-ZETCQYMHSA-N 312.709 1.143 0 40 DDAB COc1cccc(/C=C/C(=O)NCCN2CCN(C)CC2)c1 58430832 XLMBCBREJBCENA-VOTSOKGWSA-N 303.406 1.072 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c1 58215700 LJTIYLYKSNKYJP-CQSZACIVSA-N 324.446 1.792 0 40 DDAB COc1ccc(CCC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 96098077 KHTWVYOZQVSUJB-CQSZACIVSA-N 311.403 1.273 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1F 98010403 CBJHXUMFDZSNKD-AWEZNQCLSA-N 316.336 1.403 0 40 DDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCC(C)C 13582757 XLYPSBCBAWRWPI-UHFFFAOYSA-N 314.407 1.477 0 40 DDAB Nc1cc(-c2cccs2)nn(CC(=O)NCC2CC2)c1=O 12146728 HJQUOMDKYDFBFP-UHFFFAOYSA-N 304.375 1.080 0 40 DDAB O=C([C@@H]1CCCO1)N1CCc2nc3ccsc3c(=O)n2CC1 13268337 NCGRJTBQQGSFQC-NSHDSACASA-N 319.386 1.022 0 40 DDAB Cc1cc(OC2CCN(S(=O)(=O)C3CC3)CC2)cc(=O)o1 206975353 BIHVLYKSKGWFIC-UHFFFAOYSA-N 313.375 1.284 0 40 DDAB COc1cccc(C(=O)OCC(=O)N2CCCCCC2)c1O 6898039 LPQLGUHXVQCQGO-UHFFFAOYSA-N 307.346 1.960 0 40 DDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(C)CC1)O2 19588490 YVCZOKFYRUSVRX-INIZCTEOSA-N 304.346 1.199 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)n(C)c1 9113311 FGNDIWKXUFKRDU-NSHDSACASA-N 321.402 1.424 0 40 DDAB CCN=c1nc(N2CCN(Cc3cnoc3C)CC2)cc(C)[nH]1 1889096039 MESRWZFDTMQGTE-UHFFFAOYSA-N 316.409 1.257 0 40 DDAB COCc1nnc(NC(=O)Cc2c(C)nc3ccccn23)s1 1848356225 XQCHPSMVPGIPEN-UHFFFAOYSA-N 317.374 1.822 0 40 DDAB COCc1cncc2c1CCN(C(=O)c1ccncc1OC)C2 1565547753 WXIZSUYJUJJZNG-UHFFFAOYSA-N 313.357 1.830 0 40 DDAB O=C1C[C@H]2[C@H](CCN2Cc2ccncc2)N1Cc1cccnc1 1565552160 MFCHLKCFYOBBSO-IRXDYDNUSA-N 308.385 1.852 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)no1 2055734521 GIDIYZZJPGVCFQ-JTQLQIEISA-N 304.350 1.320 0 40 DDAB Cc1ccc(NC(=O)CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 1006524124 WBMCFOZWQRZQOU-MRXNPFEDSA-N 315.417 1.924 0 40 DDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1cc(-c2ccco2)[nH]n1 575617171 QEZILRFNVWCQFA-CYBMUJFWSA-N 314.349 1.716 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cnsn2)CC1 585148856 KSIZTOGATHAQLW-GFCCVEGCSA-N 318.402 1.654 0 40 DDAB COc1ccccc1OCC(=O)NC[C@@](C)(O)c1ccco1 75156217 PMAFAVMXUPCVBK-MRXNPFEDSA-N 305.330 1.691 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@H](C)N1CCc2ccccc21 40086264 ICEPXSXXSFXOBR-ZDUSSCGKSA-N 311.451 1.614 0 40 DDAB Cc1nccc(CNC(=O)NCCOc2ccccc2C)n1 50122430 PORJZCFAXZGKLO-UHFFFAOYSA-N 300.362 1.972 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 40498529 QSXCWSFUBCBVEB-OCCSQVGLSA-N 310.419 1.596 0 40 DDAB Cc1c(NC(=O)CCCC(=O)O)c(=O)n(-c2ccccc2)n1C 152544 GCHNYRFIDAUPAN-UHFFFAOYSA-N 317.345 1.678 0 40 DDAB CS(=O)(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 20405321 SAMQBRCYETZYQM-UHFFFAOYSA-N 317.720 1.715 0 40 DDAB COC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 100846490 UUPIQDRVFLAETN-ADAWSYLGSA-N 313.353 1.450 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n(C)n1 40512269 PGGGEDYRPIZERO-QMMMGPOBSA-N 304.272 1.078 0 40 DDAB COc1ccccc1N1C(=O)CN=C1Nc1nc(C)cc(C)n1 240793 JKWYLYNBNFKARI-UHFFFAOYSA-N 311.345 1.917 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC(C)=O)cc2)CC1 68004 MHLZJFLWBWKNHR-UHFFFAOYSA-N 320.345 1.526 0 40 DDAB CCC[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1579637 UZHWJZICZBCMQG-TZMCWYRMSA-N 303.362 1.407 0 40 DDAB CCOC(=O)[C@@H]1C[C@@H](C(=O)OCC)C(=O)c2ccccc2C1=O 1632524 DQQXHVALWWDZRX-CHWSQXEVSA-N 318.325 1.814 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)c(C)n2)cc1 1672565 SQUDDAHMWLNLIQ-UHFFFAOYSA-N 321.362 1.248 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1Cl 4065811 MGURCIRDLGQAPO-FQPOAREZSA-N 316.744 1.792 0 40 DDAB Cc1csc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 21482555 OWPHCNSACZCMLE-NSHDSACASA-N 307.419 1.859 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 41130405 LQZHHQWHMYKKHQ-VIFPVBQESA-N 320.374 1.065 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)C(=O)NCC(F)(F)F 89948647 ADPLCGBFTOTHFV-MVWJERBFSA-N 323.359 1.290 0 40 DDAB O=C(C1CCOCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721176 NWYOCAFVHAFDBJ-HRCADAONSA-N 309.406 1.598 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCCOc1ccccc1 29852905 WITGWLBBLDHOBW-CYBMUJFWSA-N 307.394 1.622 0 40 DDAB CCCCn1nc(C(=O)N2C[C@@H](N(C)C)[C@H](CC)C2)ccc1=O 89954905 RKFXJXMSGWSSFC-UKRRQHHQSA-N 320.437 1.456 0 40 DDAB Clc1cccc(N2CCN(c3nnc4nccn4n3)CC2)c1 8782867 DTBYSNHIYAPIQJ-UHFFFAOYSA-N 315.768 1.499 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCCO)C2=O)cc1 101312566 JZALDRSJBDZOLU-GFCCVEGCSA-N 323.370 1.221 0 40 DDAB COCC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 105455016 NYYMNGBTIGSFGQ-DZKIICNBSA-N 306.362 1.003 0 40 DDAB COC(=O)CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O 103102487 OFUDJOXYIXXMQT-UHFFFAOYSA-N 300.318 1.868 0 40 DDAB CN(C(=O)Cn1nnc(COc2ccccc2)n1)C1CCCC1 53333982 BWLQMULPEQYYKF-UHFFFAOYSA-N 315.377 1.653 0 40 DDAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(=O)n(C)n1 22402828 ZRTQQGUDGUIWIR-UHFFFAOYSA-N 321.764 1.585 0 40 DDAB Cn1cnnc1S[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 102242096 RDXKKYVGALXEIA-JTQLQIEISA-N 324.312 1.518 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(C/C=C/c4ccccc4)C(=O)[C@@H]13)O2 100764576 NNUJCNWGCDEOES-RZJWZKPSSA-N 311.337 1.566 0 40 DDAB Cc1cnc(C(=O)N2CCN(Cc3ccccc3F)CC2)cn1 23441386 ANHNSOCFQDIJNY-UHFFFAOYSA-N 314.364 1.882 0 40 DDAB CCN(CC)C(=O)CN(C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 23799460 YSYUVAKCMUPVNQ-UHFFFAOYSA-N 307.394 1.775 0 40 DDAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 47534624 GANGOUZEUNKGEZ-SSDOTTSWSA-N 300.318 1.952 0 40 DDAB CC(=O)N[C@H](CC(=O)N(C)Cc1cnn(C)c1)c1cccs1 25049650 CLRUKBINHYEGFA-CYBMUJFWSA-N 320.418 1.708 0 40 DDAB COC(=O)/C(=C\N(C)C)S(=O)(=O)c1cc(F)ccc1F 67340828 NFTCLYQFKUPRBR-YRNVUSSQSA-N 305.302 1.315 0 40 DDAB Cc1ccoc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 25325278 ZZAYVGIWXSFFJD-UHFFFAOYSA-N 300.362 1.987 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 20367523 UBHKMFOTFQROLB-ZNMIVQPWSA-N 316.401 1.984 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3C)C[C@H]1O2 107263055 OSHYPBRUCCOMHB-RRFJBIMHSA-N 317.389 1.040 0 40 DDAB COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c(F)cc1F 44466386 COKTYXHKPZOBLT-WKEGUHRASA-N 300.217 1.355 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccc2c(c1)OCCO2 47862957 BMEVBROWRBRVRQ-GFCCVEGCSA-N 316.361 1.542 0 40 DDAB CNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010062 UPHFYBMYHHLVAR-UHFFFAOYSA-N 314.432 1.309 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 100525988 MFNGQGUIVNUSNV-IMIFBBOLSA-N 321.329 1.521 0 40 DDAB CC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 3287152 MTQJFUUXTSRUEW-UHFFFAOYSA-N 312.167 1.148 0 40 DDAB CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1 44866490 MRMXRAOURKCGJI-MRVPVSSYSA-N 312.753 1.456 0 40 DDAB CC(=O)Nc1nc(CN2CCN(c3cnccn3)CC2)cs1 27631393 JZUFWSGVXXSUMI-UHFFFAOYSA-N 318.406 1.214 0 40 DDAB COc1ccc2c(c1)c1ncn(CCc3c[nH]cn3)c(=O)c1n2C 2129942 OVDNTHVEGUYUJA-UHFFFAOYSA-N 323.356 1.863 0 40 DDAB biogenic COc1cccc(C[C@@H](C(=O)NC(C)C)n2nnnc2C)c1 44948746 DDUAYQGSRSVOJD-AWEZNQCLSA-N 303.366 1.299 0 40 DDAB O=C(NCC[C@@H]1CCCO1)c1cccc(N2CCNC2=O)c1 44974091 OGHQCAROCGMADT-AWEZNQCLSA-N 303.362 1.515 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1CCCO1 44911972 HYQYFNXFKMIBFD-OUCADQQQSA-N 306.362 1.312 0 40 DDAB CN(CC(N)=O)C(=O)c1cnn(Cc2ccccc2Cl)c1 44941638 BGTQTMZCJKHYTL-UHFFFAOYSA-N 306.753 1.142 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cncn2)cc1 58381308 JFWHOXRMQHXZRS-FZMZJTMJSA-N 314.345 1.730 0 40 DDAB C[C@@H](c1ccccn1)N(C)C(=O)c1ccnc(-n2cncn2)c1 58357791 ZBKMTDWAUMKJKP-LBPRGKRZSA-N 308.345 1.891 0 40 DDAB COCCNC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 3313581 SQYPQLXUTHKJGC-LBPRGKRZSA-N 306.406 1.865 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NCCc2ccccn2)cn1 48289948 LMCQDIQYMHQHHK-UHFFFAOYSA-N 320.374 1.244 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1cccnc1 48244427 GXNDBHBRIHAMGJ-UHFFFAOYSA-N 321.340 1.717 0 40 DDAB Cc1ncc2c(n1)CCN(Cc1nnnn1Cc1ccccc1)C2 48326793 PPUGMDCKOBMVOG-UHFFFAOYSA-N 321.388 1.378 0 40 DDAB CC[C@@H]1CN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CCO1 12863859 LDGGEUUFDSMOJK-MFOWVQHXSA-N 309.410 1.555 0 40 DDAB COC(=O)[C@@]12CNC[C@@H]1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C2 91303026 KEPLUTFWEJFEIK-JBBSTSQOSA-N 310.394 1.252 0 40 DDAB O=C1NC(=O)[C@H](CCC(=O)OCc2nc3ccccc3s2)N1 12985828 PFZXKCNFNHTXLR-VIFPVBQESA-N 319.342 1.328 0 40 DDAB O=C(NC1CCN(C(=O)c2ccccc2O)CC1)C1CCC1 69347354 RMQJEANBWUVZIC-UHFFFAOYSA-N 302.374 1.913 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H](n2cccn2)C1 69348489 WWVOSWNKCVXYST-CYBMUJFWSA-N 323.356 1.368 0 40 DDAB CC(C)(C)C1CCN(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)CC1 92013630 NSBXPGMIMMQTDD-GXTWGEPZSA-N 316.467 1.516 0 40 DDAB Cc1noc(C)c1C(=O)Nc1nnc(SCC(=O)O)s1 4107223 KTWRARWYLOWPTI-UHFFFAOYSA-N 314.348 1.572 0 40 DDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1 5060417 OSPVTNOQKWZIAC-UHFFFAOYSA-N 322.386 1.437 0 40 DDAB CN(C)CCN(Cc1cccnc1)C(=O)NC[C@@H]1CCCO1 69844334 URHZNXSOEDDCAZ-HNNXBMFYSA-N 306.410 1.334 0 40 DDAB CCOC(=O)N1CCC(NCCNC(=O)c2ccco2)CC1 4498170 OKINZEHTDGBYCT-UHFFFAOYSA-N 309.366 1.220 0 40 DDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 65554816 RAAAZMSVMFKLNA-UHFFFAOYSA-N 318.401 1.347 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NC1CCCC1 69589715 ZONXPYITJFNKCO-HZPDHXFCSA-N 307.438 1.521 0 40 DDAB COCCNC(=O)CSc1nnc(C)n1C1CCCCC1 6479858 QXWJWAYQRLBNAY-UHFFFAOYSA-N 312.439 1.946 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCCO2 69518063 DZYBLDDSMGNKGS-AWEZNQCLSA-N 324.336 1.515 0 40 DDAB CCCC(=O)OCC(=O)NCC(=O)Nc1cccc(C)c1C 5782232 YIZIGTCHWJMPLU-UHFFFAOYSA-N 306.362 1.701 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 5878546 PSNQABULRYVKFN-UHFFFAOYSA-N 314.341 1.559 0 40 DDAB C[C@@H](CN1CCOCC1)Nc1ncc(Br)cn1 67119841 UZOGJIQPGQFLKU-VIFPVBQESA-N 301.188 1.372 0 40 DDAB Cc1n[nH]cc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 68238815 ZXJDDZBVRDWOPA-UHFFFAOYSA-N 311.345 1.204 0 40 DDAB CCCCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 70979788 GGEVXGOUUSLTQZ-UHFFFAOYSA-N 300.399 1.932 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2nc(C)cc2C)cc1 16229224 TVRNWQUPAIRLRJ-UHFFFAOYSA-N 314.389 1.905 0 40 DDAB COc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C)cc1OC 89938158 NXIVLVCHQQVJLG-LBPRGKRZSA-N 307.394 1.549 0 40 DDAB O=C(Cc1cn2ccccc2n1)NC1(C(=O)O)CCCCC1 83255444 XKQGUVABINRSIC-UHFFFAOYSA-N 301.346 1.781 0 40 DDAB in-vitro Cc1cc(C(=O)Cn2nnn(-c3ccccc3)c2=O)c(C)n1C 9365607 GQASHGRGWWLCHH-UHFFFAOYSA-N 311.345 1.267 0 40 DDAB C[C@H]1CC[C@H](CO)CN1C/C=C/CN1C[C@H](CO)CC[C@H]1C 110695561 ILXKADWHYPCQNI-HLXXEPFRSA-N 310.482 1.728 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)C2 72278954 VUGXICJQDZGKKO-CYBMUJFWSA-N 301.394 1.216 0 40 DDAB C[C@@H](Cc1ccccc1F)C(=O)NCCCNS(C)(=O)=O 96414262 WQOLOCQAAKHGND-NSHDSACASA-N 316.398 1.060 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)N1CCOCC1 72234162 FVGSTDIJHHHQHP-LSDHHAIUSA-N 320.437 1.421 0 40 DDAB CCO[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 71825551 NPJJXUGNSJHLQB-GFCCVEGCSA-N 315.373 1.493 0 40 DDAB CCc1nc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)no1 71893136 PVGVEUNVUAPXPF-CYBMUJFWSA-N 322.409 1.235 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2cccnc2N2CCCCC2)C1 71820800 AMHAPPYSZZGQKO-GFCCVEGCSA-N 317.393 1.411 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3ccc[nH]3)CCO2)n1 76046169 GHZLMELZPUUZPR-LLVKDONJSA-N 303.366 1.644 0 40 DDAB CCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956618 XFQXSFGQAOTELW-MRVPVSSYSA-N 306.334 1.255 0 40 DDAB COc1ccc(CNCc2c(C)nn(CCO)c2C)cc1OC 97159778 YNLVMXYRWBYDPX-UHFFFAOYSA-N 319.405 1.799 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@@H](c1ccccc1)n1cccn1 97197429 SAYGUCZOAQEDKH-DOTOQJQBSA-N 321.384 1.800 0 40 DDAB CCNS(=O)(=O)CCNC(=O)Cc1c[nH]c2c(C)cccc12 95400547 KLSJJNPGVBPLNV-UHFFFAOYSA-N 323.418 1.074 0 40 DDAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc[n+]([O-])c1 73842867 ZRTSYERUYJKRFU-QGZVFWFLSA-N 311.385 1.714 0 40 DDAB CNC(=O)c1cccc(N2C[C@H](O)C[C@@H]2C2CCCCC2)n1 78260249 NHQHXKJFRPEMGA-UKRRQHHQSA-N 303.406 1.961 0 40 DDAB CC(C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccsc2)c1 95939411 XATMLGRRLVTCIY-NSHDSACASA-N 315.420 1.537 0 40 DDAB C[C@H]1CO[C@@H](CO)CN1c1ncnc2sc3c(c12)CCC3 95967563 ZJCKZNSISYXVJI-VHSXEESVSA-N 305.403 1.766 0 40 DDAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Cn2cnnn2)cc1 74517525 QCQBJIREABEEIE-DZGCQCFKSA-N 301.350 1.018 0 40 DDAB C[C@H](CS(C)(=O)=O)NC(=O)c1cncc(Br)c1 78636876 FNIJENIQYFYIMC-SSDOTTSWSA-N 321.196 1.007 0 40 DDAB CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 78875416 YELKSFUTWVTZHA-UHFFFAOYSA-N 316.354 1.195 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(c2cn[nH]c2)CC1 89420067 XKANCBSKZZHVQJ-LLVKDONJSA-N 316.361 1.527 0 40 DDAB O=C(Cc1c[nH]c2ncccc12)N[C@H]1c2ccccc2C[C@H]1O 89510418 YVPNQNAQONZZFI-WBVHZDCISA-N 307.353 1.880 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)NCCc1nnc2n1CCC2 86370274 MZPXJJYCQCNSOM-LLVKDONJSA-N 319.434 1.759 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[C@H]1C(N)=O 78904163 MXWDBCKFVOUYIL-MNOVXSKESA-N 300.355 1.066 0 40 DDAB CN(C(=O)Nc1cn[nH]c1)[C@H]1CCN(c2ccccc2F)C1=O 75137581 AOOIWVXKMUOPRV-ZDUSSCGKSA-N 317.324 1.818 0 40 DDAB Cn1nc2c(cc1=O)CN(C(=O)c1ccc(O)c(Cl)c1)CC2 79015909 WSTMRCNEZJMHFZ-UHFFFAOYSA-N 319.748 1.338 0 40 DDAB COCc1cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)no1 79617803 XWHATQAVGZJTTQ-NSHDSACASA-N 306.322 1.449 0 40 DDAB CC[C@H]1CN(c2ccc3c(n2)CCC3=O)CCN1C[C@H](C)O 519461595 JOIOXYONWQFUSO-STQMWFEESA-N 303.406 1.492 0 40 DDAB CCn1nncc1CNC(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1 529057169 PRJVDGUVWNJDTP-NSHDSACASA-N 317.397 1.518 0 40 DDAB COc1ccc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)cn1 1553514811 MDHMYXNIBPHPNY-ZDUSSCGKSA-N 304.394 1.156 0 40 DDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1C 77845041 CGOGFXBWZRMWTQ-BDJLRTHQSA-N 310.369 1.986 0 40 DDAB Cn1nccc1[C@@H](CO)NCc1cccc2c1OC(F)(F)O2 414467134 WBCBLJSFLFAHSV-SNVBAGLBSA-N 311.288 1.565 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CO)C(=O)O 218415504 UGZSXEULGFAUDD-GMXVVIOVSA-N 318.778 1.304 0 40 DDAB NC(=O)c1ccc(-c2nccc([C@@H]3CCCN3CCO)n2)cc1 72355778 ILJJWZMQQCFHSV-HNNXBMFYSA-N 312.373 1.372 0 40 DDAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC 217704030 OQFMBYOOYGEDGC-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB CCOCn1nc(C)c(C[C@H](C)C(=O)NC[C@H]2CCCO2)c1C 521396450 ZSHDXUXVRHXINH-SWLSCSKDSA-N 323.437 1.968 0 40 DDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(NC(=O)CC)cc2)C1 45953792 VTQCDAPJOBKGEC-LLVKDONJSA-N 304.346 1.951 0 40 DDAB CNC(=O)c1nsc(C(=O)NCc2ccc(OC)cc2)c1N 49006200 MSRJXBHXFXAHGY-UHFFFAOYSA-N 320.374 1.024 0 40 DDAB COc1ccc(CCNC(=O)C(=O)Nc2cccc(O)c2)cc1 40285850 LCBIFSSNPWLLAI-UHFFFAOYSA-N 314.341 1.698 0 40 DDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)s1 225786958 SYRMBVAQTYACIT-MRVPVSSYSA-N 309.778 1.772 0 40 DDAB CC[C@H](C(=O)O)N1CCN(C(=O)Cc2ccccc2F)CC1 191413040 JAYMHSCMJOEFAR-CQSZACIVSA-N 308.353 1.376 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)cc1 225587304 KKPJIXDBDQMFPQ-AAVRWANBSA-N 323.370 1.183 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCCC1 96100066 WASVOHZWFRSDOT-CWRNSKLLSA-N 308.422 1.267 0 40 DDAB C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)O1 97229691 IADKMMGMCJRUKV-RISCZKNCSA-N 309.797 1.951 0 40 DDAB COc1cccc(C(=O)N2CCOC[C@]3(CCN(C)C3)C2)c1 96201956 IJVKETUTSADRJJ-KRWDZBQOSA-N 304.390 1.490 0 40 DDAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2CC2CC2)O1 96055588 QRPNBAZSJDBVOY-OAGGEKHMSA-N 308.422 1.171 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)c1 96070352 FNWYZIKYHRWAAK-MRXNPFEDSA-N 324.446 1.338 0 40 DDAB Cc1nccn1CCCNC(=O)NCc1cccc(N(C)C)n1 95437513 FLJIECDIIUBMIK-UHFFFAOYSA-N 316.409 1.542 0 40 DDAB Cc1cc(OC[C@@H](O)CN2CCc3ccccc3C2)nnc1C 96415105 IWUZCMFYVRPJAZ-KRWDZBQOSA-N 313.401 1.891 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3cnoc3C)C2)C1=O 96224017 DSPVBJUEOOUFAC-INIZCTEOSA-N 321.377 1.084 0 40 DDAB COC(=O)c1oc2ccccc2c1Cn1cnnc1[S@@](C)=O 96447748 CODNHTKVWYWRKP-QFIPXVFZSA-N 319.342 1.597 0 40 DDAB Cc1nnc(N2C[C@@H]3C[C@@H](CC(=O)NC4CCC4)O[C@@H]3C2)s1 96220485 QRMPCLQPNKTKST-WCFLWFBJSA-N 322.434 1.499 0 40 DDAB O=C(Cc1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 96200283 XVWCSVFDBQJXAJ-LSDHHAIUSA-N 302.399 1.890 0 40 DDAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCN2CCCC2=O)cn1 248163797 YXRZDZRBSYRULM-OAHLLOKOSA-N 318.421 1.024 0 40 DDAB Cc1cnn(CC(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)c1 257316398 VFKVPEPXBHNPGX-HNNXBMFYSA-N 313.405 1.680 0 40 DDAB Cc1ccc(Cl)c(OCC(=O)N(C)[C@@H]2CC[C@@H](O)[C@@H]2O)c1 257228474 FUAHDQFGDDXVFW-LALPHHSUSA-N 313.781 1.370 0 40 DDAB Cn1cccc1C(=O)N1CCOC[C@@H]1CCc1cnccn1 257322640 WGUIKFIJIYIZIP-AWEZNQCLSA-N 300.362 1.289 0 40 DDAB CN1C(=O)CO[C@H]2CCN(CC3=Cc4ccccc4OC3)C[C@@H]21 257231048 GEZIKVOLFKHBBS-RDJZCZTQSA-N 314.385 1.394 0 40 DDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)CC3CC3)C2)OC1 575406822 UUYCPHRYTDQNBA-OAHLLOKOSA-N 320.433 1.807 0 40 DDAB CCc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)s1 575424600 UFBXZIBUJNRMNI-SECBINFHSA-N 302.421 1.867 0 40 DDAB CCc1ccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)s1 575420313 AOYBJGUIXDVMNK-MRVPVSSYSA-N 304.462 1.784 0 40 DDAB Cc1noc(C2CCN(Cc3cccc(C(N)=O)c3)CC2)n1 53639407 CBKVHJXAGKSGFB-UHFFFAOYSA-N 300.362 1.857 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)c1cc(C)n[nH]1)CC2 56463095 LKJMGPXVVPJROC-UHFFFAOYSA-N 315.373 1.976 0 40 DDAB CNC(=O)c1cccc(CNC(=O)c2cnn3ccc(C)nc23)c1 68667546 KRPJRNSLRFWTCD-UHFFFAOYSA-N 323.356 1.327 0 40 DDAB COc1cccc(S(=O)(=O)CCN2C[C@@H](C)OC[C@H]2C)c1 69433847 WUMSCGHOHWQGAE-CHWSQXEVSA-N 313.419 1.578 0 40 DDAB Cc1n[nH]c(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1C 69454471 QWRFTSIGJGEPNZ-UHFFFAOYSA-N 309.329 1.825 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)o2)CC1 69870015 IPBVWHBASAOWCP-SECBINFHSA-N 317.183 1.181 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNC[C@@H]2CCS(=O)(=O)C2)cc1 97287446 ASPRUICEWSPRRE-ZDUSSCGKSA-N 319.430 1.909 0 40 DDAB c1cc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)ccn1 730106491 HAAIUFHQNQXXPM-UHFFFAOYSA-N 324.432 1.794 0 40 DDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 12378083 SNKNSEBHKHUNDR-ZENOOKHLSA-N 322.405 1.494 0 40 DDAB CC(=O)NC(NC(C)=O)c1coc2ccc(Cl)cc2c1=O 16321008 ADVCCFGHZZZGNJ-UHFFFAOYSA-N 308.721 1.717 0 40 DDAB CCOc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937445 FTWHLIIBVUBHFE-UHFFFAOYSA-N 301.346 1.967 0 40 DDAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NC1CC1 19937565 ITGUCSJZBZRBQY-UHFFFAOYSA-N 303.749 1.911 0 40 DDAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)n1 153523917 SBOVXXGRGZOSNA-KRWDZBQOSA-N 312.417 1.916 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1c[nH]c2ccccc12 643586297 VYMPTWPNHGQUSM-OAGGEKHMSA-N 318.373 1.669 0 40 DDAB O=C(COc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 4070775 ONBBCOPPHRRPQK-ZDUSSCGKSA-N 319.382 1.522 0 40 DDAB Cc1noc([C@H](C)N2CCC(C(=O)NCC(F)(F)F)CC2)n1 27782352 RXXKUCZJDQABEY-QMMMGPOBSA-N 320.315 1.830 0 40 DDAB Cc1ccccc1CC(=O)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066008640 IEGHTJLIQHTLTL-CALCHBBNSA-N 322.412 1.922 0 40 DDAB Cn1cc(CC(=O)N2CC(Nc3ncccn3)C2)c2ccccc21 238857706 KDGXCGUPAUAXQG-UHFFFAOYSA-N 321.384 1.834 0 40 DDAB Cc1cc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)ccn1 2037978441 WIIKMJMMSRGXGJ-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1 84860840 YYTBUDUJIWYBME-LBPRGKRZSA-N 304.362 1.478 0 40 DDAB COCCN[C@H]1CSC2(C1)CN(Cc1c(C)nn(C)c1C)C2 2056224539 UPTNIDIHQRHKFR-CQSZACIVSA-N 324.494 1.333 0 40 DDAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 212346 NIEJUQYQKMJBCT-UHFFFAOYSA-N 324.362 1.135 0 40 DDAB O=C(C(=O)N1CCC2(CC1)OCCO2)c1c[nH]c2ccccc12 4163050 ILIWJCLIFKITFP-UHFFFAOYSA-N 314.341 1.716 0 40 DDAB CC(C)OCCCN[C@H](CC(=O)Nc1ccccc1)C(=O)O 4939467 NMLPGWPPEZDHSB-CQSZACIVSA-N 308.378 1.873 0 40 DDAB COc1cccc(CNC(=O)c2cc3cccnc3n(C)c2=O)c1 5303746 ITOCOWRWTNNRIN-UHFFFAOYSA-N 323.352 1.872 0 40 DDAB CCn1ccc(C(=O)Nc2nnc(-c3cc(C)nn3C)o2)n1 13702562 DRKZSMFWKRUIHU-UHFFFAOYSA-N 301.310 1.247 0 40 DDAB CCc1cccc(NS(=O)(=O)c2n[nH]cc2C(=O)OC)c1 48991466 JXDDCYYFGRZGAE-UHFFFAOYSA-N 309.347 1.560 0 40 DDAB CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1=O 102688160 PONJIDSCIPGRHU-JQWIXIFHSA-N 308.403 1.579 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1CC1CC1 67897107 NVBAYVCFVCEMSW-CVEARBPZSA-N 322.355 1.786 0 40 DDAB biogenic,in-vitro Cc1nc(CCNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cs1 40510428 WMILDEIOQNLOEZ-LBPRGKRZSA-N 307.419 1.369 0 40 DDAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cn[nH]c3)CC2)o1 51235602 YBKWDVOTXVEOAM-UHFFFAOYSA-N 317.349 1.737 0 40 DDAB O=C(O)Cn1c2ccccc2n2nc(-c3ccccc3)c(=O)nc12 51325933 MQLNBLARPJIEPM-UHFFFAOYSA-N 320.308 1.796 0 40 DDAB C[C@@H](SC[C@H](O)c1ccccc1)C(=O)NC(=O)NC1CC1 69454368 RJMDYXUEGOUUIW-MFKMUULPSA-N 308.403 1.830 0 40 DDAB COc1ccc(C(=O)COC(=O)c2cnn3cccnc23)cc1 45992323 GYJQDQKCUPGIIB-UHFFFAOYSA-N 311.297 1.778 0 40 DDAB O=C(NCCc1cccs1)c1ccc(F)cc1-n1cnnn1 20731283 OTXMZEUSIWZWOU-UHFFFAOYSA-N 317.349 1.835 0 40 DDAB O=C(Cc1ccsc1)OCn1nnc2ccccc2c1=O 2627188 SCTPZIWJJQGQOF-UHFFFAOYSA-N 301.327 1.596 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1 2621160 OWSHTZIPWUCUDC-UHFFFAOYSA-N 322.361 1.446 0 40 DDAB CCOC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1 1601793 JNQYYJMIBOQAFC-LBPRGKRZSA-N 309.318 1.709 0 40 DDAB CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 2384982 LWFWZRANSFAJDR-JSGCOSHPSA-N 303.362 1.263 0 40 DDAB endogenous,in-man C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)NCCc2ccccc2)C1=O 2710913 DVJVPDNOTMZVDV-RYUDHWBXSA-N 320.414 1.224 0 40 DDAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 2658430 DLRCBINDKIHAJC-SECBINFHSA-N 320.374 1.681 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6537091 YAVRKBRPBBRBBO-KDDQHCCQSA-N 306.343 1.308 0 40 DDAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)NC(N)=O)cc1 6654264 SINBBYIPJDDZME-SECBINFHSA-N 319.390 1.560 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 7689576 JYBBPFASEHZIBY-LLVKDONJSA-N 306.387 1.643 0 40 DDAB O=C(NC[C@@H](O)COc1cccc(F)c1)Nc1ccccn1 46497978 AODLGGLVKWBBLZ-GFCCVEGCSA-N 305.309 1.782 0 40 DDAB O=C(NCCNC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccn[nH]1 96002213 FWJVCRDGYNTHMF-WCQYABFASA-N 305.382 1.114 0 40 DDAB NC[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)[nH]n2)CCO1 19641474 KLWYBAJWCPEPAT-SNVBAGLBSA-N 304.325 1.016 0 40 DDAB O=C(CCOc1cccc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 32977411 DXPCXCNYEIYYPA-LLVKDONJSA-N 317.794 1.412 0 40 DDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CCOC1 41378754 GEMVDSWERXTTIF-NVXWUHKLSA-N 318.417 1.523 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@H]3OCCN(C(C)C)[C@H]3C2)cn1 108524491 BVKGKVBQQAWSRB-GJZGRUSLSA-N 304.394 1.109 0 40 DDAB NC(=O)NC[C@@H]1CCCCN1C(=O)COCc1ccccc1 69780516 CYDKTAISDYTADD-AWEZNQCLSA-N 305.378 1.253 0 40 DDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccco2)C1 19626656 KEXFJJZSBRKBFU-JTQLQIEISA-N 304.350 1.161 0 40 DDAB C[C@@H](Cc1cccs1)N(C)CC(=O)N[C@@H]1CCSC1=O 89904275 ACBFUKJPPOXMRQ-CMPLNLGQSA-N 312.460 1.759 0 40 DDAB CC(=O)NCCNC(=O)NCCc1nc(C(C)(C)C)cs1 89962693 PWYKLRKZHFOIFE-UHFFFAOYSA-N 312.439 1.418 0 40 DDAB COc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2ccccc2)cc1 576569 OXFPKOUWULSQGH-HUUCEWRRSA-N 311.341 1.169 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1 41867134 JEQOIUNHLFZYCT-INIZCTEOSA-N 321.336 1.485 0 40 DDAB Cc1csc(CCNC(=O)c2ccnc(-n3cncn3)c2)n1 53797725 XRGLALQWONXTHK-UHFFFAOYSA-N 314.374 1.400 0 40 DDAB O=C(O[C@@H]1CCCCC1=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 61245869 KRQHENKMMHQDJD-UKRRQHHQSA-N 322.405 1.969 0 40 DDAB CCN(CC)CCNC[C@@H](O)COCc1ccc2c(c1)OCO2 22925507 KQMXQQRQVVHHTP-OAHLLOKOSA-N 324.421 1.224 0 40 DDAB Cc1cnc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cn1 47175399 BNINUFQLSXZRHW-OAHLLOKOSA-N 310.357 1.488 0 40 DDAB COC[C@H](C)NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235534 QOVVTMLVICVHBL-NSHDSACASA-N 300.358 1.712 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC2CCNCC2)cc1Cl 59417483 LUAGRKAWFVYEQN-UHFFFAOYSA-N 309.797 1.703 0 40 DDAB Cc1cc2ccccc2n1CC(=O)NCCCN1CCOCC1 53274407 NDQOZVPTTBXFMZ-UHFFFAOYSA-N 315.417 1.788 0 40 DDAB COCc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 24181202 OWUBRQULUONKDL-UHFFFAOYSA-N 302.330 1.472 0 40 DDAB c1ncc(O[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)cn1 107746714 LVCGBEXZKVZYFX-GJZGRUSLSA-N 300.362 1.407 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)c1csnn1)CC2 56462851 UYKZYJGDFCCIHX-UHFFFAOYSA-N 319.386 1.796 0 40 DDAB COc1ccc(CCCCC(=O)N2CC[C@@H](C(N)=O)C2)cc1 57045996 FPSFAJUJSUBBFD-CQSZACIVSA-N 304.390 1.742 0 40 DDAB CCN1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 57000306 XYITVXIKICJPGP-MRXNPFEDSA-N 304.390 1.675 0 40 DDAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)Cc1ccc3c(c1)OCO3)CCO2 107720276 ATSDCIMAVMKIIV-SUYBPPKGSA-N 319.357 1.363 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(OC[C@H]2CCCO2)cc1 58226779 KRHDMDURNUGUSD-CABCVRRESA-N 318.373 1.253 0 40 DDAB CC(=O)N[C@@H](C(=O)NCc1cccnc1-n1cccn1)C(C)C 44913718 UACKTCKWSACJFD-CQSZACIVSA-N 315.377 1.044 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)c(F)c1F 44936022 LLUOSQWYLCKNBB-QMMMGPOBSA-N 319.308 1.667 0 40 DDAB CCOc1ccc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 48927751 QRCFATLNQWFDMG-MRVPVSSYSA-N 318.782 1.051 0 40 DDAB CC(C)[C@H](Sc1ccc2c(c1)OCCO2)C(=O)NC(N)=O 5018837 RXAUADKJNQCNAV-LBPRGKRZSA-N 310.375 1.769 0 40 DDAB COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn21 13732730 JTQHWWONVPXHSV-LLVKDONJSA-N 315.333 1.426 0 40 DDAB O=C(COc1ccc2ccc(=O)oc2c1)NC[C@@H]1CCCO1 5222344 WYJKUPPFPZSSRG-ZDUSSCGKSA-N 303.314 1.467 0 40 DDAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCNC(=O)C1 7420666 HDMMYHVGQKIMNB-SECBINFHSA-N 315.295 1.464 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)NCCC1=CCCCC1 16045280 CHOVIXGMMMCFNI-UHFFFAOYSA-N 304.346 1.538 0 40 DDAB Cc1nc2sccc2c(=O)n1NC(=O)[C@H](C)OCC1CC1 68376831 SIVWXPQGDPYHLB-QMMMGPOBSA-N 307.375 1.652 0 40 DDAB CC(=O)[C@@H](C)NC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O 9193575 QTHVVXLNMJMSQW-SECBINFHSA-N 302.330 1.155 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)c1 9482439 YYYULRACYUQDQT-ZDUSSCGKSA-N 305.334 1.210 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)NC1CCCC1 71821729 RTHFLUGQBBQECQ-INIZCTEOSA-N 315.417 1.348 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 71871142 GVCVUMNYLNSPDQ-SWLSCSKDSA-N 306.431 1.228 0 40 DDAB CCCC[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)OC 71922109 MZANMYHLCXRLHU-LURJTMIESA-N 312.317 1.835 0 40 DDAB CN(CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 72274064 PFNLCJYZYJYSNF-CVEARBPZSA-N 324.469 1.023 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)COc2cc(C)on2)no1 72299176 SDVORXFWPHHEOQ-SNVBAGLBSA-N 306.322 1.671 0 40 DDAB COCCn1c(C(=O)NCc2n[nH]c(C)n2)cc2ccccc21 76065960 AFFDKDCMHMLRHG-UHFFFAOYSA-N 313.361 1.644 0 40 DDAB C1C[C@@H](c2noc(C3CC3)n2)N(Cc2nnnn2C2CC2)C1 76047746 YCVQIGFMFNCSPN-NSHDSACASA-N 301.354 1.606 0 40 DDAB O=C(CN1CCn2ccnc2C1)N[C@H]1CCCc2ccccc21 97201609 LGPPFYPPWMPJTL-INIZCTEOSA-N 310.401 1.893 0 40 DDAB C[C@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)Cc1cccs1 84640891 RUAOARXLEFIZHE-NWDGAFQWSA-N 309.435 1.847 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1cnc2[nH]nc(C)c2c1)C(=O)OC 84721489 PHORKGMGGRZONU-QPUJVOFHSA-N 304.350 1.584 0 40 DDAB Cc1cccc(C)c1-n1nnnc1C[S@](=O)CCOC(C)C 95409393 SXZZQFAYEVZOBL-QFIPXVFZSA-N 322.434 1.953 0 40 DDAB CCOC(=O)[C@@H](C)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 60368394 RHBZCJUYFHCDHW-RBSFLKMASA-N 312.454 1.759 0 40 DDAB O=C1CC[C@H](C(=O)Nc2ccnc(Sc3ccccn3)c2)N1 75126946 ZTWASJQMXKZWRT-LLVKDONJSA-N 314.370 1.845 0 40 DDAB O=C(NC[C@@H]1CN2CCN1CC2)c1cc(Cl)sc1Cl 89762039 GISAXSGQKALXAC-MRVPVSSYSA-N 320.245 1.785 0 40 DDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@H]1C=C[C@@]2(CO)O1 409335144 NWLHCBNOTUGXPA-ZAZJYDDPSA-N 305.717 1.145 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](O)[C@@H](C2CCCC2)C1 1548898958 MGKSZBXIKDWKFI-CVEARBPZSA-N 305.422 1.969 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC([C@@H]3CNC(=O)C3)CC2)cn1 1551716164 YUXSZJBKRSSPJD-AWEZNQCLSA-N 316.405 1.136 0 40 DDAB CN1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 35552373 LVZHIYHRQKAMFI-UHFFFAOYSA-N 310.206 1.325 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 72238143 ZVVFDKUQZOAMQR-FZMZJTMJSA-N 310.419 1.810 0 40 DDAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCN1CCOCC1 30862648 QTFUDZWSHBHUJM-QGZVFWFLSA-N 320.433 1.909 0 40 DDAB CNc1cc([C@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1 72387830 DFMACJXRBSDFBL-LLVKDONJSA-N 319.390 1.497 0 40 DDAB O=C1CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1 36379670 KEAOLORBFBSGAC-QGZVFWFLSA-N 309.369 1.798 0 40 DDAB CN1C(SCc2ccccc2F)=N[C@H]2CS(=O)(=O)C[C@H]21 32508749 AGQLAKDIYLTAJJ-NWDGAFQWSA-N 314.407 1.526 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1C 77845044 CGOGFXBWZRMWTQ-BZNIZROVSA-N 310.369 1.986 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 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COc1ccc(-c2nc(C)no2)cc1S(=O)(=O)N(C)OC 227153861 CKKOJHRZFUKPEH-UHFFFAOYSA-N 313.335 1.236 0 40 DDAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccno3)C2)n1 225496484 FZEPTPXUYNEALX-JTQLQIEISA-N 304.306 1.157 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1cc(F)cc(C(F)(F)F)c1 195544797 OUXOKMCKYSLFMR-MNOVXSKESA-N 306.259 1.561 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]12 96185396 ULMDRVFBUQNFHV-RLFYNMQTSA-N 318.417 1.814 0 40 DDAB C[C@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C 96470399 MEJVHSNKAYYHBH-SECBINFHSA-N 321.240 1.776 0 40 DDAB Fc1cnc(N2CCO[C@H]3CN(c4ccccc4)C[C@H]32)nc1 96081824 ANMJCRMTTXMPQM-CABCVRRESA-N 300.337 1.710 0 40 DDAB Cc1nnn2c1COC[C@@H](CNC(=O)Cc1cccs1)C2 96199349 GZTVXVPUCLDKMH-NSHDSACASA-N 306.391 1.153 0 40 DDAB CN(C)CCOC[C@H]1CN(Cc2ccco2)Cc2nnn(C)c21 96060652 BUCYETWIBXKPGI-CYBMUJFWSA-N 319.409 1.086 0 40 DDAB O=C([C@H]1OCCc2ccccc21)N1CCNC[C@@H]1c1ccncc1 333307535 RECLUONEUQIEJE-MSOLQXFVSA-N 323.396 1.869 0 40 DDAB CCN1CCN(C(=O)c2cc3ccc(OC)cc3oc2=O)CC1 96308829 HIDDQVZVOSXPGX-UHFFFAOYSA-N 316.357 1.579 0 40 DDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(C)s1)C2 96108395 IWISOWUQTGAHJN-CJNGLKHVSA-N 324.446 1.268 0 40 DDAB CC(=O)N1CC2(C[C@@H](CCOCC3CCOCC3)CCO2)C1 247946722 PAIJFDNORUCEJU-HNNXBMFYSA-N 311.422 1.847 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)/C=C/c1ccccc1 244983747 IPKQDZLLSILVSA-OAHLLOKOSA-N 320.418 1.893 0 40 DDAB Cc1ncc(CNC(=O)Cn2cccn2)c([C@H]2CCCN2C)n1 257310826 UGUHKJZPXOVDDF-CQSZACIVSA-N 314.393 1.065 0 40 DDAB COCC(=O)N1C[C@H](c2ccccc2)[C@H](c2nc(C)no2)C1 253472988 QWGZESQTTMZQRP-ZIAGYGMSSA-N 301.346 1.734 0 40 DDAB CCOC[C@H]1CN(C(=O)NCC2(N)CCCCCC2)CCO1 529329938 MMPYGZKPMWAKND-CQSZACIVSA-N 313.442 1.485 0 40 DDAB O=C1CN(C(=O)c2cncc(Cc3cccc(F)c3)c2)CCN1 257263018 LOAAOPMDYHWTFT-UHFFFAOYSA-N 313.332 1.384 0 40 DDAB CCCc1n[nH]c(=NC(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)s1 647690531 QMCXIFSDBQWOIY-DTWKUNHWSA-N 312.395 1.487 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)/C=C/c1ccccc1 585276768 IOQZWXSXLVKXIW-IJDCCNJMSA-N 302.374 1.583 0 40 DDAB CCn1ncc(NC(=O)C[C@]2(COC)CCCN2C(C)=O)c1C 585280815 PMPDBYREVQVGIH-INIZCTEOSA-N 322.409 1.568 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cc(C)on2)C1 44633870 BIUVKUHSSRGBHD-ZFWWWQNUSA-N 305.378 1.905 0 40 DDAB CCc1nc(CC(=O)NCCNC(=O)OC(C)(C)C)cs1 58379632 HUVIXAOLPBTGME-UHFFFAOYSA-N 313.423 1.889 0 40 DDAB COc1cnc(C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)nc1 1548430885 WIHKVCUWBLNDDM-HUUCEWRRSA-N 313.357 1.823 0 40 DDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N(C)C3CC3)CC2=O)c1 68064170 SIWCMYQDDWZGFN-NSHDSACASA-N 318.373 1.678 0 40 DDAB O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 68143047 VLEXAMYRCVXFLZ-GJZGRUSLSA-N 303.358 1.900 0 40 DDAB COC(=O)CCCCNC(=O)NC[C@H](C)Cn1nc(C)cc1C 69244936 SIULLGJWJDKDFQ-LBPRGKRZSA-N 324.425 1.779 0 40 DDAB Cc1ccc(OCCC(=O)NCC(=O)Nc2cn[nH]c2)cc1 69493895 PCVSOEJWVJDAAB-UHFFFAOYSA-N 302.334 1.242 0 40 DDAB O=C(NCCNC[C@H]1CNc2ccnn2C1)c1ccc(F)cc1 69511385 ISSXDVFGLMFSAZ-LBPRGKRZSA-N 317.368 1.084 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCN[C@@H]([C@H]3CCCO3)C2)Cc2c[nH]nc21 1576763343 QNYKAZRPQZUFTK-QHSBEEBCSA-N 318.421 1.403 0 40 DDAB Cc1cccc(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 96119470 NCFHHGQTVSSPTE-CYBMUJFWSA-N 303.362 1.038 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85436659 CKJILZWQQWEIOO-INIZCTEOSA-N 306.381 1.283 0 40 DDAB COc1cccc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1 85436599 CRMZTJLOXLBIQX-INIZCTEOSA-N 304.390 1.224 0 40 DDAB CN1C[C@H]2Cc3ccc(O)c(c3)[C@H]3C=C(CC[C@@H]3O)C[C@H]1CN2 1772591129 ICNZARQTCKEORI-GFIVTLFCSA-N 314.429 1.775 0 40 DDAB Cc1ccc(O[C@H](C)CNC(=O)[C@H](C)Cn2cncn2)cc1 19210968 GGKPBEZECNNORQ-ZIAGYGMSSA-N 302.378 1.806 0 40 DDAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1nc[nH]n1 19849551 OIHHRSOGEJJJLA-UHFFFAOYSA-N 318.318 1.291 0 40 DDAB COc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1OC 19937450 ROUVBTDUZDWTIW-UHFFFAOYSA-N 317.345 1.585 0 40 DDAB CC[C@@H](C)Sc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C 4139047 ZIWLLLBLZSNUJO-MRVPVSSYSA-N 320.418 1.795 0 40 DDAB CO[C@H]1C[C@@H](CN(C)Cc2nc(C3CCCC3)no2)N(C)C1 571827001 SWUBZVRTZARTIS-KBPBESRZSA-N 308.426 1.878 0 40 DDAB COCCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037905566 HKGHUFLMNBLERE-MRXNPFEDSA-N 311.353 1.595 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565544369 JDDTXJDWEUCPKB-WCQYABFASA-N 324.388 1.212 0 40 DDAB O=C(N1CCCn2c(nnc2Cn2ccnc2)C1)C12CC(C1)C2 1565555300 WOPQWSFHOBHIHJ-UHFFFAOYSA-N 312.377 1.055 0 40 DDAB O=C([C@@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21)N1CCCC1 1565545406 HSHZSHPSWGOEAG-BFHYXJOUSA-N 324.396 1.365 0 40 DDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)NC1CCCCC1 10220588 AMMQCFFMVYEFLY-ZDUSSCGKSA-N 310.394 1.237 0 40 DDAB COc1cccc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967362 ODWIOHNTZZHSPA-UHFFFAOYSA-N 313.357 1.333 0 40 DDAB COc1cccc(NC(=O)NCCCn2ncccc2=O)c1 23241677 MBNDAUONIUJQKH-UHFFFAOYSA-N 302.334 1.464 0 40 DDAB Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1 40475520 YXHLPLZPWBJXHF-ZDUSSCGKSA-N 322.430 1.968 0 40 DDAB CCCOc1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 51612249 YCNGCULNXTUIRF-ZDUSSCGKSA-N 307.350 1.193 0 40 DDAB NC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C2OCCO2)c1 69294156 YRPQNLZIMUCLCY-ZDUSSCGKSA-N 319.361 1.545 0 40 DDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H]1CCC(=O)NC1 70013479 YCXPNTANZVKZDK-JQWIXIFHSA-N 310.781 1.811 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C(N)=O)c1ccccc1 69769264 QULNHINVAUPVJU-ZACQAIPSSA-N 315.417 1.688 0 40 DDAB CCCn1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1=O 29787313 XJIPETLZPIMONN-UHFFFAOYSA-N 320.437 1.692 0 40 DDAB CN(C)C[C@@H](O)Cn1cc(NC(=O)Nc2ccc(F)cc2)cn1 69780423 FYYWWFBAFUNVBH-CQSZACIVSA-N 321.356 1.589 0 40 DDAB CC(C)OC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccccc12 369150 XPIMPAKFPWKGIR-ZOWXZIJZSA-N 306.387 1.882 0 40 DDAB O=C1CSC(=O)N1CCCCCCN1C(=O)CSC1=O 2688898 CFOAZMQFHIWSGZ-UHFFFAOYSA-N 316.404 1.938 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1-n1cnnn1 4216498 DIRVQJVTQFKOHG-LLVKDONJSA-N 321.406 1.391 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)cn1 69348630 TWIOJYPWDDFPTQ-CYBMUJFWSA-N 307.419 1.677 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1Cl 4504678 WBYCQGZYROFLQE-MRVPVSSYSA-N 308.186 1.910 0 40 DDAB CCCN1CCC(CNC(=O)[C@H](C)OCCOCC)CC1 69373564 LPJSISOBIURJEO-AWEZNQCLSA-N 300.443 1.666 0 40 DDAB CCN(CC)C(=O)CN1CCN(c2ccccc2OC)CC1 57711760 JQKAWOAKVIDYPT-UHFFFAOYSA-N 305.422 1.686 0 40 DDAB Cc1ccc(N2C(=O)N(CC(=O)NC3CC3)C(=O)[C@H]2C)cc1 22704143 FSGSBVDJOLBWDX-LLVKDONJSA-N 301.346 1.431 0 40 DDAB CN(C(=O)C1CCN(C(N)=O)CC1)[C@@H]1CCc2ccccc21 42638807 OJQLIQUTGPBMMF-OAHLLOKOSA-N 301.390 1.923 0 40 DDAB Nc1nccnc1C(=O)NC[C@H](c1cccs1)N1CCCC1 27607399 VHHZMDJCTROOLI-LLVKDONJSA-N 317.418 1.687 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccn1 25129652 KRENTDRFHJAIBO-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)Cn1cccn1 106844591 RZSHARZMVPDYGA-HUUCEWRRSA-N 303.410 1.431 0 40 DDAB C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCc2ccccc2C1 25410767 RGKMSGPXZHFITK-ZDUSSCGKSA-N 315.417 1.170 0 40 DDAB CN(CC(=O)N1CCNC1=O)Cc1ccccc1C(F)(F)F 43643650 CCUSCUNCCQRVLX-UHFFFAOYSA-N 315.295 1.689 0 40 DDAB CC(=O)N1CCN(C(=O)c2csc(Br)c2)CC1 35222278 XPNYWCGCTWSZAI-UHFFFAOYSA-N 317.208 1.815 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 44228625 NXWRIANGYMIIGC-CYBMUJFWSA-N 300.362 1.533 0 40 DDAB CCNc1nc(N[C@@H](C)CC)nc(Oc2ccc(=O)n(C)n2)n1 26960277 INQHCXOGJMMPBQ-VIFPVBQESA-N 319.369 1.400 0 40 DDAB O=C1CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2N1Cc1ccccc1 67897091 JBYUWGOHKWGFHP-CABCVRRESA-N 312.373 1.022 0 40 DDAB biogenic,in-vitro Cn1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)cc1=O 44606998 JZWNEKFSNYFCHK-UHFFFAOYSA-N 317.414 1.405 0 40 DDAB CCOCCO[C@@H](C)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 58162772 MTPOBAVJTJHSJT-MNOVXSKESA-N 321.377 1.475 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cccc(F)c2)C1 58210215 IPIAVOLVKMMQBY-GFCCVEGCSA-N 315.370 1.371 0 40 DDAB CCN(C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)[C@@H](C)COC 44909744 SFYFFIWRAHBMKY-BLLLJJGKSA-N 320.389 1.684 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(S(C)(=O)=O)cc1 24474111 GAXPBAWGNQYJBA-UHFFFAOYSA-N 307.375 1.096 0 40 DDAB CN(C)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 58378468 VENQUHDCIARQCD-CYBMUJFWSA-N 305.378 1.651 0 40 DDAB Cc1cc2n(n1)C[C@H](CNCc1nncn1-c1ccccc1)CN2 58394271 SIQUJLNHYZNOPE-CQSZACIVSA-N 323.404 1.604 0 40 DDAB CCN(CC)C(=O)C1CCN(C(=O)[C@H](C)OCC2CC2)CC1 58380136 DGPHIZWOBKICQG-ZDUSSCGKSA-N 310.438 1.909 0 40 DDAB CCC(CC)[C@@H](CNC(=O)c1cnc(C)cn1)N1CCOCC1 36705343 XXCAYESKUZRGKF-MRXNPFEDSA-N 320.437 1.652 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 12733677 UYIKPXZRTFWIDG-UHFFFAOYSA-N 306.362 1.964 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 48235230 GMAMZZCFWCBIAD-UHFFFAOYSA-N 302.334 1.364 0 40 DDAB COC1(C(=O)NCC2CC2)CCN(C(=O)OC(C)(C)C)CC1 48325261 XNOUFWQSQFHRKJ-UHFFFAOYSA-N 312.410 1.929 0 40 DDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 69946802 QWFAUJFLYHQJBK-AWEZNQCLSA-N 318.421 1.792 0 40 DDAB CCCC(=O)N1CC2(C1)OCC[C@@H]2COCC(=O)N1CCCC1 306129354 IBECCBKVHIIKHK-CQSZACIVSA-N 324.421 1.043 0 40 DDAB NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)c1ccccc1 14098077 MWJLZYWMDHZLOS-ZDUSSCGKSA-N 308.334 1.331 0 40 DDAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1N 5335494 QRXYFYQCPMNZKC-SECBINFHSA-N 309.395 1.505 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCO1 14114119 KVXDPAOXMMBSAD-NSHDSACASA-N 301.346 1.103 0 40 DDAB O=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc2[nH]nnc2c1 66931608 TYUIAXSHWSUMTJ-SFHVURJKSA-N 322.368 1.912 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)no1 4925403 QVRRATNUUKHLDZ-UHFFFAOYSA-N 318.285 1.550 0 40 DDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)c1ccccc1 83291605 OEBUBYXMVZJCMG-RIYZIHGNSA-N 305.355 1.849 0 40 DDAB Cc1n[nH]cc1CNCc1cccnc1N1CCN(C)CC1 71834558 RNEZXKJBEBUWPR-UHFFFAOYSA-N 300.410 1.155 0 40 DDAB O=S(=O)(NCC[C@H]1CCCO1)c1ccc(C(F)(F)F)nc1 97082724 RGFYNXPLOTXBMM-SECBINFHSA-N 324.324 1.948 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cnn(C)c1 97010069 FBJCNYKBKRGIFW-SNVBAGLBSA-N 312.337 1.279 0 40 DDAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCCn1ccnc1 83884494 YLYPKQHXKNBPGY-KBPBESRZSA-N 307.394 1.901 0 40 DDAB CCOCCS(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488407 OHFAVPHZZPSPLP-UHFFFAOYSA-N 306.767 1.921 0 40 DDAB CCc1nc([C@@H]2CCCN2CC(=O)Nc2cccnc2)no1 72270860 VDAGLEPRKGIDTL-LBPRGKRZSA-N 301.350 1.803 0 40 DDAB C[C@H]1CN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCO1 72277865 UCUAGUKNBLZLFZ-GJZGRUSLSA-N 305.422 1.937 0 40 DDAB Cc1nnc2ccc(NC[C@@H]3CC(=O)Nc4ccccc43)nn12 84297203 IRORCFONDQQRNY-NSHDSACASA-N 308.345 1.971 0 40 DDAB CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1nccnc1N 97138382 LZUFBUKBABXHBC-AWEZNQCLSA-N 314.389 1.718 0 40 DDAB CC(C)[C@@H](NC(=O)Cn1ncsc1=O)c1ccc(F)cc1 97108599 SMQPHUYOCVFXCV-CYBMUJFWSA-N 309.366 1.957 0 40 DDAB CN1CCC[C@@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)C1 72301606 GLMZAGLSPYLCEB-QGZVFWFLSA-N 312.417 1.889 0 40 DDAB CCCn1nc2c(cc1=O)CN([C@H](C)c1nnc(C)o1)CC2 76064528 GCPSKVDIXSDQSN-SNVBAGLBSA-N 303.366 1.464 0 40 DDAB CC(=O)NC[C@@H](C)OC(=O)c1c[nH]nc1-c1ccc(F)cc1 97380186 JKXAQBAKPLEZJZ-SECBINFHSA-N 305.309 1.897 0 40 DDAB COc1ccccc1CN1CCN(C(=O)c2cc(C)n[nH]2)CC1 76227150 ZOPRINIZIKRWIU-UHFFFAOYSA-N 314.389 1.685 0 40 DDAB CC(C)N(CCO)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 95461782 GIGRJRAPQJHXHL-UHFFFAOYSA-N 312.435 1.460 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408591705 JDKMKSOSWCNSQF-LLVKDONJSA-N 314.407 1.230 0 40 DDAB COC1CCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CC1 78879809 DSKKWMJOLNBRHV-ZDUSSCGKSA-N 314.407 1.772 0 40 DDAB C[C@@H]1CCC[C@H](CC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 95957917 RWRQTQQNEJJWLM-KGLIPLIRSA-N 316.467 1.697 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(O)cc2F)C[C@H]1N1CCOCC1 95993031 JWSHYCGFYZBTPR-IAQYHMDHSA-N 308.353 1.324 0 40 DDAB CN(C)CCCNC(=O)c1ccc(Cn2cc(Cl)cn2)o1 27982154 IBMLTRXBEMOTAD-UHFFFAOYSA-N 310.785 1.859 0 40 DDAB O=C1NC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)N1 89782861 ISHLTXOAHVZLPQ-KGLIPLIRSA-N 305.353 1.855 0 40 DDAB NC(=O)[C@@H]1CC(C(=O)NCc2ccccc2)=NN1c1ccccc1 29107245 GJRQESAKVKXOHE-INIZCTEOSA-N 322.368 1.423 0 40 DDAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2C)n1 35424876 XIMKRFCXSNLYBK-LBPRGKRZSA-N 303.366 1.957 0 40 DDAB biogenic,in-vitro O=C(NS(=O)(=O)c1ccc2nn[nH]c2c1)C1CC2(CCC2)C1 408502919 UNZJSPIKVRWDET-UHFFFAOYSA-N 320.374 1.343 0 40 DDAB NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1nsc2ccccc12 519640661 ZGDUIBLENGLMQQ-NEPJUHHUSA-N 317.414 1.999 0 40 DDAB CON(C)C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 36037306 PPECVTPOMJZHRW-MEBBXXQBSA-N 311.382 1.143 0 40 DDAB C[C@@H](NC(=O)c1ccc(F)cn1)C1(N2CCOCC2)CCCC1 183355508 XNFJOMHTXXAEPD-CYBMUJFWSA-N 321.396 1.984 0 40 DDAB Cc1nccn1CCNC(=O)C(=O)Nc1ccccc1Cl 38717883 UBUDOCOKFCUZGZ-UHFFFAOYSA-N 306.753 1.600 0 40 DDAB Cn1cc([C@@H](CO)NC(=O)c2cc3c(s2)CCOC3)cn1 537595991 OENNZCILHRYEOR-LLVKDONJSA-N 307.375 1.018 0 40 DDAB O=C(NCCN1CCOCC1)C1(c2cccc(Cl)c2)CC1 41510295 VKWDVBGWOJPRFN-UHFFFAOYSA-N 308.809 1.820 0 40 DDAB COc1cccc(O[C@H](C)C(=O)NCCCN2CCOCC2)c1 30867829 WMCNBCRZMVCSTE-CQSZACIVSA-N 322.405 1.301 0 40 DDAB COCCNC(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C 75837310 FWNLSLSJBGUXRL-NVXWUHKLSA-N 320.433 1.828 0 40 DDAB Cn1ccnc1CNc1cc(CC[C@H]2CCCCN2)ncn1 72365423 MVDYHCXKWPWAEB-CYBMUJFWSA-N 300.410 1.897 0 40 DDAB CN(C[C@@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 79410981 LUWZVDHLYVWBPT-INIZCTEOSA-N 306.406 1.959 0 40 DDAB O=C1CCSC[C@@H](C(=O)Nc2ccc(-n3cccn3)cc2)N1 226753156 QEVAZLMBHGBQPK-ZDUSSCGKSA-N 316.386 1.433 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC2(CC1)OCCCO2 75156629 PUUKMPYSLQYSQN-OAHLLOKOSA-N 319.357 1.582 0 40 DDAB Nc1nc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nn1-c1ccccc1 87705920 BRQJUXMVCVVPRO-VXGBXAGGSA-N 309.329 1.305 0 40 DDAB Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)c1ccco1 40745734 CQOMWZOAGLNPPX-UHFFFAOYSA-N 314.301 1.788 0 40 DDAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1 225313986 ONRZHQLXMSJEQB-UHFFFAOYSA-N 320.370 1.637 0 40 DDAB CC(=O)N1CCc2c(nnn2CC2CC2)[C@@H]1COCC1CC1 96045410 NZSATKQOMGMDTE-HNNXBMFYSA-N 304.394 1.560 0 40 DDAB C[C@@H]1CCN(Cc2ccc(N3CCCC3)nc2)CCS1(=O)=O 192050058 YIAVSNOZTRPJOO-CQSZACIVSA-N 323.462 1.691 0 40 DDAB CC1(C)CN=C(N2CCN(c3ncnc4[nH]ncc34)CC2)S1 96466693 SWXIYMPBLKBTMN-UHFFFAOYSA-N 317.422 1.356 0 40 DDAB COc1ccnc(N2CCN(c3ncc(Cl)cn3)CC2)n1 267150386 ZTJSWHJOQWSSAO-UHFFFAOYSA-N 306.757 1.255 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 96197537 WFFFOYYRLMXHPA-UHFFFAOYSA-N 319.434 1.167 0 40 DDAB C[Sn](O)(c1ccccc1)c1ccccc1 231985953 MGUYOJQFFDTKHC-UHFFFAOYSA-M 304.965 1.368 0 40 DDAB O=C(NCc1cnc2n1CCN(CC1CCOCC1)C2)C1CC1 96201182 BDVWWLOCADLXSK-UHFFFAOYSA-N 318.421 1.152 0 40 DDAB c1csc(-c2n[nH]c(CN3CCO[C@@H]([C@@H]4CCCO4)C3)n2)c1 97370576 ACHDXNMSXNOIFS-NWDGAFQWSA-N 320.418 1.913 0 40 DDAB c1csc(CN2CCn3cc(CN4CCOCC4)nc3C2)n1 96197280 FSTXMMFGYWAVGO-UHFFFAOYSA-N 319.434 1.188 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)[C@H]1CCOC1)CC2 96217814 YOBBFARPLHMBMJ-YOEHRIQHSA-N 324.421 1.043 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 96186087 LLLOHGIJSNKDPF-BPUTZDHNSA-N 317.389 1.665 0 40 DDAB O=C(CN(C[C@@H](O)c1ccccc1)C1CC1)NC[C@H]1CCCO1 245281226 AJRDPFYXIMIAIT-IAGOWNOFSA-N 318.417 1.480 0 40 DDAB O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 247748197 SFBPJWWOLNGEGC-JKSUJKDBSA-N 318.398 1.448 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257280845 OMQROHDZHJKVBW-NSHDSACASA-N 305.769 1.651 0 40 DDAB CC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)C[C@]1(C)CO 257236950 HENQZFGMWZYTPJ-MRXNPFEDSA-N 308.422 1.399 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257274222 NKBIOTPUZFTJMZ-ZDUSSCGKSA-N 300.362 1.509 0 40 DDAB O=C(Cn1ccnc1)N1CCC(c2ccn3nccc3n2)CC1 257342548 ZPEFYSDTNNRWOP-UHFFFAOYSA-N 310.361 1.332 0 40 DDAB CC(C)NS(=O)(=O)[C@H]1CCN(C[C@@H](O)C2CCCCC2)C1 252536498 ISDITTIMAWELCX-LSDHHAIUSA-N 318.483 1.330 0 40 DDAB Cc1nc(CNC(=O)c2cccc(-c3c(C)noc3C)n2)no1 257262943 LNSGNFAVGIIYHQ-UHFFFAOYSA-N 313.317 1.975 0 40 DDAB CN(C)C[C@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 257304803 SNEWNECFAVHQBO-KRWDZBQOSA-N 322.453 1.626 0 40 DDAB CCC(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257240342 HTBMQRQFIRSOAI-IRXDYDNUSA-N 302.418 1.807 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCC2CCOCC2)c1 257217882 DAZBMWIJJXSFRW-UHFFFAOYSA-N 314.389 1.487 0 40 DDAB CN(C)c1cc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)ccn1 257206072 BBRLOQYCZOWYQW-OAHLLOKOSA-N 313.405 1.750 0 40 DDAB Cc1cc(-c2ncc[nH]2)nc(C2CCN(S(C)(=O)=O)CC2)n1 257209190 BPIGDWUNMXTJGP-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1 257340977 ZIIRAKSOSHMQTK-HOCLYGCPSA-N 311.328 1.650 0 40 DDAB COC(=O)[C@H](O)CNC(=O)c1ccc(-c2csc(C)n2)cc1 252480679 CCMKKCQUZHFQAN-CYBMUJFWSA-N 320.370 1.382 0 40 DDAB CN(C)c1cc([C@H]2CCCN2C(=O)c2cncnc2O)ccn1 257307763 TUAAPNPGZSEDSP-CYBMUJFWSA-N 313.361 1.621 0 40 DDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1)[C@@H]2C 585097249 JEROBLFMUHFGKI-GFCCVEGCSA-N 316.361 1.407 0 40 DDAB O=C(C1CC(O)C1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 585108105 CETPIJVRINUIMK-SSHXOBKSSA-N 301.390 1.028 0 40 DDAB C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc(-c2ccccc2)cc1 585295385 XKQROLYNLNZDDP-NUDXDXSLSA-N 313.397 1.640 0 40 DDAB CC(C)c1ccccc1OC[C@@H](O)CSc1nnnn1C 61715396 BEWBYEYGXCYMKV-LLVKDONJSA-N 308.407 1.866 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCn1cccnc1=O 824703955 LYFRQTVLEIMPMP-UHFFFAOYSA-N 307.737 1.335 0 40 DDAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCOCC1 57748109 ZHISQJBOVXUHBA-LBPRGKRZSA-N 306.362 1.507 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H](OC[C@H]1CCCO1)C(C)C)C2 69598093 ZRTUPMIBEOFLOZ-HIFRSBDPSA-N 322.409 1.149 0 40 DDAB CCCn1nccc1NC(=O)N1CCCN(CC(=O)OC)CC1 75107519 XPGJAPPUBAXYNG-UHFFFAOYSA-N 323.397 1.006 0 40 DDAB C[C@H](CNc1nccc(C(F)(F)F)n1)CN1CCOCC1 77995468 RUFRDTMUMLXNCI-SNVBAGLBSA-N 304.316 1.876 0 40 DDAB C[C@@H]1C(=O)N(C[C@H](O)CN(C)Cc2ccccc2)C(=O)[C@@H]1C 101510172 ZQHQIPQMWWWELZ-VNHYZAJKSA-N 304.390 1.120 0 40 DDAB O=C1CC(=O)N(c2cccc(I)c2)C1 86475491 QSWVHKCODTVTFH-UHFFFAOYSA-N 301.083 1.597 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnn(C)c1C 106037537 AJDIOVORXVXBOR-UBHSHLNASA-N 305.378 1.675 0 40 DDAB CC(C)Nc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 5421322 PBVKDMHXFIZKJH-LBPRGKRZSA-N 308.334 1.555 0 40 DDAB CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cc(C)no2)[nH]c1=O 19521590 VGONENGVBZGZHB-LBPRGKRZSA-N 316.361 1.914 0 40 DDAB COc1ccc2c(c1)OC1(CCN(C(C)=O)CC1)CNC2=O 19016897 MDFREEDHHCSTQC-UHFFFAOYSA-N 304.346 1.199 0 40 DDAB Cc1nc(C)c(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)s1 225787387 RRBMFUUFYVPHNZ-LLVKDONJSA-N 318.402 1.141 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(NC(C)=O)c1 3521404 UFZVKJOBPJWIGM-SECBINFHSA-N 321.333 1.036 0 40 DDAB Cc1ncnc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1C 1889099042 DKLNYWGTHPGZHC-LBPRGKRZSA-N 310.423 1.144 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3ccccn3)C2)nc1 1889122796 MFFXQTADGHDHSP-AWEZNQCLSA-N 311.389 1.921 0 40 DDAB Cn1c(N2CC(Cn3cc(Cl)cn3)C2)nc2cccnc21 1889136070 XETJRXKFLHCXEX-UHFFFAOYSA-N 302.769 1.955 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)n2nnc(-c3cccc(F)c3)n2)on1 31735147 SRUCMJXDYZYOCL-SECBINFHSA-N 316.296 1.975 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2nc3ccccc3n2C)CC1 38670668 FHTFANUQLRYDLW-UHFFFAOYSA-N 322.434 1.041 0 40 DDAB NS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 40543306 BSOWOEBSEJJAKN-UHFFFAOYSA-N 312.391 1.115 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)C1(F)CCC1)C2 1565544970 VUHFONLOIHMMKY-CYBMUJFWSA-N 318.414 1.295 0 40 DDAB CN(C)C[C@@H]1C[C@@H]2CN(C(=O)C3(F)CC3)CC[C@@H]2N1CC1CC1 1565545664 JSGPANSLHQBEJZ-PMPSAXMXSA-N 323.456 1.752 0 40 DDAB Cc1cc(=O)c2n(Cc3ccc(Cl)cc3Cl)nc[n+]2[nH]1 12445690 ZZIXLNCOSRTBAE-UHFFFAOYSA-O 310.164 1.974 0 40 DDAB COCc1nsc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 2298174051 GOEWZZJMABWATE-SNVBAGLBSA-N 312.439 1.816 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1 672163365 OVWDKSFZGLDSPP-SECBINFHSA-N 324.233 1.906 0 40 DDAB CC(C)CCC[C@H](O)CCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO 2332243363 LOXPKHZOCSKDSQ-CBBWQLFWSA-N 302.411 1.486 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 30496457 WEHZXWKJRCJUNW-UHFFFAOYSA-N 323.374 1.027 0 40 DDAB O=C(NCCCNc1ccccc1)C(=O)Nc1cccc(O)c1 40267677 GYVZNRIRDZWPCC-UHFFFAOYSA-N 313.357 1.949 0 40 DDAB CS(=O)(=O)NCCCNCc1ccccc1C(F)(F)F 40497493 QUHZCICENUZYDP-UHFFFAOYSA-N 310.341 1.734 0 40 DDAB CC(=O)N1CCc2cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc21 40462353 HFMOHCVYEPHRAP-AWEZNQCLSA-N 318.377 1.227 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)Nc1ncccc1O 40472904 QOOAMQPRBPVSBA-UHFFFAOYSA-N 315.354 1.865 0 40 DDAB Cc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n(C)n1 40477512 NFUXXJLHDXZJFI-UHFFFAOYSA-N 314.267 1.548 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2CCS(C)(=O)=O)c1 40465913 QSTXERJRNCEANS-CQSZACIVSA-N 313.419 1.885 0 40 DDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1cccs1 31669115 RJTQXPSWFYIVHY-UHFFFAOYSA-N 310.400 1.819 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CNC(=O)c1ccoc1 40536189 TUFSGWDBGBHMPO-UHFFFAOYSA-N 316.357 1.821 0 40 DDAB NC(=O)CC1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 40542623 BCNACRGGZMXPDD-AWEZNQCLSA-N 302.374 1.352 0 40 DDAB CCOCCN1CCN([C@@H](C)C(=O)N2CCCC2)C[C@H]1CC 69701349 OMUHSNSZBQXLFE-JKSUJKDBSA-N 311.470 1.430 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cccc3c2ccn3C)CC1 70040022 DRCVHTJCLOLTRQ-AWEZNQCLSA-N 315.417 1.707 0 40 DDAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(=O)[nH]c1 46239313 IJHPOCZYKXTQQQ-UHFFFAOYSA-N 311.385 1.553 0 40 DDAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)O)cs2)cc1 20721167 KZITXNUPIBCOKE-VIFPVBQESA-N 320.370 1.951 0 40 DDAB CN(C)CCNc1c(NCc2ccccc2Cl)c(=O)c1=O 101698657 BNWQMSRWROHKIK-UHFFFAOYSA-N 307.781 1.522 0 40 DDAB COc1ccc([C@H](CC(=O)Nc2ccn(C)n2)NC(C)=O)cc1 32879997 BXGWEIMYKLGRMJ-AWEZNQCLSA-N 316.361 1.635 0 40 DDAB O=S1(=O)C[C@H]2N=C(Nc3ccc(F)cc3F)S[C@H]2C1 2601999 KDOPJMAWZYJSHB-ZJUUUORDSA-N 304.343 1.645 0 40 DDAB Cc1ccc(N(CCCC(=O)N(C)C)S(C)(=O)=O)cc1C 10368705 DHYCHDSIUGOQFG-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1cc(C)on1 32958238 CQLLHFRVJZGXPE-UHFFFAOYSA-N 305.290 1.108 0 40 DDAB CCn1cc(Br)c(C(=O)N[C@@H](C)[C@H]2CCCO2)n1 2780171 MJLIPICISIKLCW-WCBMZHEXSA-N 316.199 1.963 0 40 DDAB O=C(N[C@@H]1C(=O)NN[C@@H]1c1ccc(Cl)cc1)c1ccccc1 576574 GVFZZTNAEBXZKO-KGLIPLIRSA-N 315.760 1.814 0 40 DDAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)N1CCNC1=O 9602574 BBVOKALELWHSMM-LURJTMIESA-N 302.739 1.499 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863743 SDLIHHYMVOFFFK-ZUZCIYMTSA-N 323.418 1.820 0 40 DDAB c1cnc(N2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)nc1 101142715 SUEUNXDYUARHSC-HRCADAONSA-N 312.373 1.825 0 40 DDAB CCn1nnc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 56965502 MMRYVDHOZFBMJQ-UHFFFAOYSA-N 323.404 1.563 0 40 DDAB Cc1ccccc1S(=O)(=O)N1CCC2(CCC(=O)NC2)CC1 108533535 ZSWBPRLQTKYXCQ-UHFFFAOYSA-N 322.430 1.676 0 40 DDAB Cn1ccc(CS(=O)(=O)CCOc2ccccc2)cc1=O 55195241 YNUKCEHAXLCHHT-UHFFFAOYSA-N 307.371 1.379 0 40 DDAB COCc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cs1 106779232 UZQWLPPBUASVQN-QWHCGFSZSA-N 309.435 1.988 0 40 DDAB COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20111227 BKGNEJRDZFFSNA-UHFFFAOYSA-N 320.798 1.478 0 40 DDAB c1nc(NCc2ccc(N3CCOCC3)nc2)c2cn[nH]c2n1 12556918 ZMFRGHHWFQQOMH-UHFFFAOYSA-N 311.349 1.197 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1nc2c(s1)CCCC2 20614979 BJQLEZLHEQVPKU-UHFFFAOYSA-N 306.347 1.706 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NCCc1ccc(C(F)(F)F)cc1 25379007 ONIDQDMKXNMVJZ-VIFPVBQESA-N 302.296 1.889 0 40 DDAB COc1ccc(CCC(=O)N[C@]2(C(=O)O)CCSC2)cc1 43503711 SOQOFEJADHREQF-OAHLLOKOSA-N 309.387 1.704 0 40 DDAB NC(=O)c1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 25462994 ZGWLVQUXUYDOBV-UHFFFAOYSA-N 308.301 1.014 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1 56068558 OILNKWOHTPDTJZ-UHFFFAOYSA-N 313.361 1.306 0 40 DDAB CCN(CC)C(=O)[C@@H](C)N1CCN(c2nc(C)cs2)CC1 47891389 HULFFHYBHDMYNP-CYBMUJFWSA-N 310.467 1.830 0 40 DDAB CCn1cc(NC(=O)NC[C@H]2COc3ccccc3O2)cn1 43644710 PTZGOJINWOLDGC-LBPRGKRZSA-N 302.334 1.865 0 40 DDAB CN(Cc1ccco1)C(=O)Cn1cnc2ccsc2c1=O 26018707 HGTCKJWZOSJFTL-UHFFFAOYSA-N 303.343 1.710 0 40 DDAB C[C@H](NC(=O)Nc1ccc(-n2cncn2)nc1)[C@@H]1CCCO1 48133273 DBAJMZVNSDYAKL-JQWIXIFHSA-N 302.338 1.351 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)[C@H]2CC=CCC2)cc1 58018278 WGANHPBHBAPGDY-AWEZNQCLSA-N 302.374 1.784 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1ccco1 10088853 XOIXGWCYTWLYGG-CYBMUJFWSA-N 312.366 2.000 0 40 DDAB O=C(CN1CCSC1=O)NCc1ccc2c(c1)OCCO2 44872371 FKSPUAGWYMTEMA-UHFFFAOYSA-N 308.359 1.243 0 40 DDAB Cc1cnc(NC(=O)[C@@H](C)NC(=O)COc2ccccc2)s1 58228628 XYEOZJQXKSHOEU-LLVKDONJSA-N 319.386 1.974 0 40 DDAB COc1ccc(COC[C@@H](O)CNC(=O)c2cc(C)no2)cc1 58292433 HFAQHJBRKKIFKV-ZDUSSCGKSA-N 320.345 1.299 0 40 DDAB COc1c(CNCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)nn1C 58391477 XDVUMTKMEDGXPK-STQMWFEESA-N 324.469 1.715 0 40 DDAB C[C@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)CCO1 10519411 JDMZQEDFTHPATJ-LBPRGKRZSA-N 309.391 1.087 0 40 DDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccccc1 12772405 QYMBQZCBHUFKJE-SNVBAGLBSA-N 303.391 1.805 0 40 DDAB CCN(CC)[C@@H]1CCN(C(=O)Nc2nnc3ccccn23)C1 76070058 IRYMAULJLGXENL-GFCCVEGCSA-N 302.382 1.677 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCC(=O)NC3)cn2)n1 48342370 RTPUZVCFGKSDAU-GFCCVEGCSA-N 313.361 1.349 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccc(O)nc1)c1ccccc1 12876865 LCNZLPXDMXFOTL-CYBMUJFWSA-N 300.314 1.821 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459862 XZVNLCYBQPNCJZ-YVEFUNNKSA-N 317.389 1.758 0 40 DDAB CCn1ncc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1C(F)(F)F 76051720 PTZMFHWNLZKGSS-GXSJLCMTSA-N 318.343 1.944 0 40 DDAB CCCNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48561159 DJUOPUIHKIJMFA-UHFFFAOYSA-N 310.785 1.808 0 40 DDAB Fc1cc(CN[C@H]2CCc3ncnn3C2)ccc1-n1cncn1 69490855 GBSWUCDZNUBUFP-LBPRGKRZSA-N 313.340 1.103 0 40 DDAB Cn1nc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2c1=O 3609967 PJFGRAGBENDMNZ-UHFFFAOYSA-N 322.324 1.285 0 40 DDAB O=C(O)c1ccc(F)c(S(=O)(=O)NCc2ccccn2)c1 13093575 XESGXGGTURXOJC-UHFFFAOYSA-N 310.306 1.397 0 40 DDAB COc1ccc(OCc2nn3c(=O)c(C)nnc3s2)cc1 8400841 QDFOPVOBSUQOSO-UHFFFAOYSA-N 304.331 1.442 0 40 DDAB COc1ccc2c(C)c(CCC(=O)NCC(=O)O)c(=O)oc2c1 4062163 ATYWXVKQKJYVRY-UHFFFAOYSA-N 319.313 1.243 0 40 DDAB biogenic CCc1nc2n(n1)C[C@H](NCc1c[nH]nc1C(C)(C)C)CC2 69621827 SMFGFDXACVANBN-GFCCVEGCSA-N 302.426 1.966 0 40 DDAB COC(=O)CSc1nc2cc(Br)cnc2[nH]1 5248968 WVINULTXEYCTFN-UHFFFAOYSA-N 302.153 1.986 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(C)o2)c1C 5326295 WBRZCVZAAQVCNI-UHFFFAOYSA-N 307.306 1.857 0 40 DDAB CCN1C(=O)C(=O)N(Cc2nc(-c3cccs3)no2)C1=O 14158825 VKKWKHPZCRNZIY-UHFFFAOYSA-N 306.303 1.109 0 40 DDAB CCCOc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 18173745 OWMPCEDLTUKQPF-LLVKDONJSA-N 307.375 1.970 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2C(=O)NN[C@@H]2c2ccc(C)cc2)cc1 4550941 AUKLVYMEAMDFKK-CVEARBPZSA-N 309.369 1.778 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1cccnc1 69951061 ZHDNAOXZQHZILX-CVEARBPZSA-N 303.406 1.936 0 40 DDAB CCOC(=O)C1=C(C)N(CC(=O)O)C(=O)N[C@@H]1c1ccccc1 14246073 NXASPNKYEXNBBD-CQSZACIVSA-N 318.329 1.675 0 40 DDAB COC(=O)C1=NO[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 4744992 WFAHDBKZHCPQIH-CQSZACIVSA-N 322.704 1.291 0 40 DDAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC(N)=O 4878871 QLKAJDWQWJKQOZ-LURJTMIESA-N 309.326 1.286 0 40 DDAB Cn1c(CNC(=O)C[C@H]2OCCc3ccsc32)n[nH]c1=S 66625689 JAXLCCSZCUORAB-SECBINFHSA-N 324.431 1.859 0 40 DDAB O=C(Cc1cn2ccsc2n1)NCc1nnc2ccccn12 8707907 RJNLDHJFEQOWQI-UHFFFAOYSA-N 312.358 1.297 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC[C@@H]1CCCO1 6881768 MITYVVHGAMDZJY-GJZGRUSLSA-N 323.389 1.406 0 40 DDAB COc1ccc(CN(C)c2ccc3nnnn3n2)cc1OC 8724773 JEOVGHWGRRHOQW-UHFFFAOYSA-N 300.322 1.173 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C)C1 71144665 QYQCZTRJOOUWBZ-LLVKDONJSA-N 302.827 1.878 0 40 DDAB CCOC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 7061762 WQHOGLZNGXGYLI-INIZCTEOSA-N 302.330 1.333 0 40 DDAB CC(=O)c1cccc(NC(=O)CCCN2C(=O)CN(C)C2=O)c1 7667393 PKYWLPWIDHZYQU-UHFFFAOYSA-N 317.345 1.502 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCOc2ccccc2)c1 16117515 ILHBXFVYQWOFBF-UHFFFAOYSA-N 322.386 1.178 0 40 DDAB C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2n1)[C@@H](C)CO 77760243 ODHBTPKXMQKKIY-UWVGGRQHSA-N 310.785 1.804 0 40 DDAB Cc1occc1-c1cc(NC(=O)[C@H]2CCCO2)n(CCO)n1 84044220 SPXXMBWHSCFCHD-CYBMUJFWSA-N 305.334 1.561 0 40 DDAB COc1cccc(CN2CCO[C@H](CNc3cccnn3)C2)c1 78899902 JCQUFQKLKRQRDH-MRXNPFEDSA-N 314.389 1.798 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CCCc3cn(CC(N)=O)nc32)c1 96002894 FCDHNCOIAHCUAZ-CQSZACIVSA-N 312.373 1.484 0 40 DDAB CC[C@H](C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)N(C)C 96003268 RDXQYJFPTBPYJX-BFYDXBDKSA-N 317.433 1.662 0 40 DDAB CNC(=O)NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 19797013 LJMHRGOHSIELFI-UHFFFAOYSA-N 316.346 1.054 0 40 DDAB CC(C)c1nc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)no1 78900756 XSUYRLRHOYDAGZ-JTQLQIEISA-N 318.381 1.395 0 40 DDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(F)cc1 9452054 WCWZNZIKQZXCSP-AWEZNQCLSA-N 322.336 1.985 0 40 DDAB O=C(CN[C@H]1CCCOc2ccc(F)cc21)N1CCOCC1 97035145 XVEUAXVQNOBUEY-AWEZNQCLSA-N 308.353 1.488 0 40 DDAB Cn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C/C(=O)C(C)(C)C 96305118 SRGCGHQUCXDMNO-AYMWWVTDSA-N 317.410 1.377 0 40 DDAB Cc1cccc2nc(CN[C@@H](CO)c3ccccc3)cc(=O)n12 97081903 MAFCWZDUWWKZSM-INIZCTEOSA-N 309.369 1.826 0 40 DDAB C[C@H]1CN(C(=O)CCN2C(=O)CSc3ccccc32)CCO1 71886860 RADZEUOZLKGVJS-LBPRGKRZSA-N 320.414 1.763 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCC1=O 71847033 YRXVDXBLCXDGHN-DZGCQCFKSA-N 319.409 1.089 0 40 DDAB C[C@@H](O)[C@H]1CCCCN1CCN1C(=O)c2ccccc2C1=O 71883597 ZFROWBOILLCPGY-IUODEOHRSA-N 302.374 1.518 0 40 DDAB O=C(CCc1nc(C2CC2)no1)N[C@H]1CCc2nccn2C1 72292173 VYVXPIDNDBVILM-NSHDSACASA-N 301.350 1.207 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 72234932 WXAQDLYASAJYEW-CYBMUJFWSA-N 302.382 1.707 0 40 DDAB Cc1nccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)n1 71924635 NJJQTAGOFFXMAF-VXGBXAGGSA-N 319.409 1.374 0 40 DDAB COc1cc(C(=O)NCCN2CCOCC2)cc2occc12 72240075 SDZMLMOVQMHQSP-UHFFFAOYSA-N 304.346 1.503 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H](c2ccn[nH]2)C1 72270697 QEEOOYWQBZROPP-NEPJUHHUSA-N 300.366 1.406 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1cnn(-c2ccccc2)n1 97197704 RJYBNVRALBPKIN-GFCCVEGCSA-N 308.345 1.209 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)cn1 72300132 FTPKEGLEKCKFCM-QWHCGFSZSA-N 312.439 1.321 0 40 DDAB CCCN(C(=O)c1snnc1CC)[C@H]1CCS(=O)(=O)C1 95385728 UJZLNCJQIAJHNJ-VIFPVBQESA-N 317.436 1.140 0 40 DDAB O=C(c1ccc2nnnn2c1)N1CCO[C@H](c2ccccc2)C1 79493834 XUXOSMOZWUAFFA-AWEZNQCLSA-N 309.329 1.338 0 40 DDAB CC(=O)N1CCN(C(=O)CN2CCc3ccccc32)[C@H](C)C1 84714993 LKTHNQNVBPZOOA-CYBMUJFWSA-N 301.390 1.128 0 40 DDAB CCNC(=O)N1CCC(NC[C@H](CO)Cc2ccccc2)CC1 95462786 INRACFJVGPVSOX-MRXNPFEDSA-N 319.449 1.621 0 40 DDAB Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@H](CC(N)=O)C1 95434424 IIUDXZCKGHRESN-ZWNOBZJWSA-N 322.409 1.692 0 40 DDAB Cc1ccn2/c(=N/C(=O)[C@@H](C(C)C)N3CCCC3=O)[nH]nc2c1 88254907 YRBZLUWZBGNFAA-CQSZACIVSA-N 315.377 1.045 0 40 DDAB COc1ncnc(N)c1CNc1cccc(-c2nncn2C)c1 89761958 GFKORBXPVKEKCM-UHFFFAOYSA-N 311.349 1.475 0 40 DDAB O=C(NCC1CCS(=O)(=O)CC1)Nc1ccc(F)cc1F 89769636 QRDSLYVQLLGJNP-UHFFFAOYSA-N 318.345 1.911 0 40 DDAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H]1CCCCN1 1505840704 SMXVWNBSFOVCIU-HOTGVXAUSA-N 323.481 1.966 0 40 DDAB CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(N(C)C)nc1 32936135 SSABYIUNACSBRV-UHFFFAOYSA-N 313.423 1.547 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1C[C@H]1c1ccco1 515520815 CGAJSYKSVDYTNR-NNYUYHANSA-N 312.391 1.353 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)N1CCNC[C@H]1c1ccncc1 516643379 DUFWDJMXJMKPPS-KRWDZBQOSA-N 323.396 1.732 0 40 DDAB CCN1CCO[C@@H](C(=O)NCC2(c3ccccc3OC)CC2)C1 73227993 SEXCVMCZVHIJOI-MRXNPFEDSA-N 318.417 1.564 0 40 DDAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c1 11865393 UVROLOKXJYRRMD-SECBINFHSA-N 319.313 1.247 0 40 DDAB biogenic COC(=O)c1cc2c(=O)n(CCc3c[nH]cn3)ccc2nc1C 38784614 JNSYEPPASSQJLX-UHFFFAOYSA-N 312.329 1.457 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC(c3cnccn3)CC2)CC1 72367454 SAXSQZWEYWXTRT-UHFFFAOYSA-N 318.421 1.029 0 40 DDAB C[C@]1(C(=O)NCCCn2cccn2)Oc2ccccc2NC1=O 40776591 OZWIERFDMISYFP-MRXNPFEDSA-N 314.345 1.179 0 40 DDAB Cc1cn(-c2ccccc2)nc1OCC(=O)NC[C@H]1CCCO1 226852384 QJPMDNKRWVWWFI-OAHLLOKOSA-N 315.373 1.855 0 40 DDAB CO[C@](C)(C(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1F 192144471 FEGVURCMPLOYFY-PXAZEXFGSA-N 322.380 1.801 0 40 DDAB Cn1nccc1[C@@H]1CCCCN1C(=O)COC1CCNCC1 573501796 AOFSFPIRYYCLDV-HNNXBMFYSA-N 306.410 1.242 0 40 DDAB COc1ccccc1N(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1 49970916 NYRJXUKIRYGOLS-UHFFFAOYSA-N 310.331 1.547 0 40 DDAB C[C@H]1C[C@H](C)CN(Cc2csc(NS(C)(=O)=O)n2)C1 195568211 QWBCHKULMRBINZ-UWVGGRQHSA-N 303.453 1.993 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1C[C@@H](CO)[C@H](O)C1 85468375 AXEQWABOWAWPIU-QJPTWQEYSA-N 321.402 1.104 0 40 DDAB O=C(NC[C@]1(O)CCc2ccccc21)c1ccc2c(c1)OCO2 75155656 NWHNEOAOFUJSGG-GOSISDBHSA-N 311.337 1.979 0 40 DDAB O=C(c1nnc2ccccc2n1)N1CCN(c2ccccc2)CC1 46088189 TVUUFRHJWYMYNE-UHFFFAOYSA-N 319.368 1.987 0 40 DDAB Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 80784805 LXWCJEQEJHTVJF-NSHDSACASA-N 311.432 1.735 0 40 DDAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 223254323 IRIOAENNHLUQDV-HUUCEWRRSA-N 315.446 1.944 0 40 DDAB O=C(c1c[nH]c2ccccc12)N1CCN(C[C@H](O)C2CC2)CC1 85436677 NZNZPMMBDLQHCA-KRWDZBQOSA-N 313.401 1.697 0 40 DDAB COCC(=O)N[C@H](C)c1onc(-c2ccccc2)c1C(=O)O 96296916 NCGPHOIVFLJDIW-SECBINFHSA-N 304.302 1.863 0 40 DDAB biogenic,in-vitro O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96116998 SXZKDOGCDFNYQY-ZDUSSCGKSA-N 313.357 1.920 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C)cc1 96181295 XFKPGLAADXEWKE-GOEBONIOSA-N 302.374 1.373 0 40 DDAB COc1ncnc2c1CN(C[C@H](O)COCc1ccco1)CC2 97200462 MUXCDIJNGCWENB-LBPRGKRZSA-N 319.361 1.014 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)C[C@@H](C)S1 96440401 IIJCJXIJPOCGQT-FRRDWIJNSA-N 323.466 1.534 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCC1 96216123 WYHBADZWXMPIQW-NUEKZKHPSA-N 301.390 1.293 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2ccc(OCC(=O)O)cc2C)n1 237848039 MCBZJWFXOQCBDH-UHFFFAOYSA-N 317.345 1.910 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ncnc3ccc(F)cc23)C1 92607285 NBSRZVMGQGOYLY-NSHDSACASA-N 324.381 1.287 0 40 DDAB CCO[C@H]1C[C@@H](N(C)CCNS(C)(=O)=O)C12CCCC2 96419698 COLJQGOGPIYXRP-OLZOCXBDSA-N 304.456 1.205 0 40 DDAB O=C(NC1CCCC1)N1CCn2cc(CN3CCCC3)nc2C1 96197250 GECVEZUFIIEBAC-UHFFFAOYSA-N 317.437 1.947 0 40 DDAB O=c1cc(CN2CCCC2)nc2n1CCCN(CC1CC1)C2 96059589 HSCAFKLZUMSFEV-UHFFFAOYSA-N 302.422 1.455 0 40 DDAB CCOCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C 96109664 WJFATMGNODCJCG-GFCCVEGCSA-N 315.377 1.735 0 40 DDAB OCCn1ncc2c(N3CCC[C@@H](C(F)(F)F)C3)ncnc21 97200232 ZFGQCBHXFOXVAS-SECBINFHSA-N 315.299 1.597 0 40 DDAB Cn1cncc1CN1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 257340585 ZGUHAWRXHNUQNM-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2cnn(C)c2)s1 257283922 PAMIRKNBFDZKLC-JTQLQIEISA-N 319.390 1.214 0 40 DDAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccn(C)n2)nc1 257301103 RXAFHLRKDNTGDD-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB CCS(=O)(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 253492749 QZXAYHPNKMZLSF-LBPRGKRZSA-N 314.432 1.370 0 40 DDAB Cc1cc(F)ccc1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257243858 IIWQCSQXTKNWCW-RDJZCZTQSA-N 307.365 1.819 0 40 DDAB CNC(=O)[C@H]1CN(Cc2cccc(Cl)c2)CCN(C(C)=O)C1 257266121 MBRKCFLGQWUJLD-AWEZNQCLSA-N 323.824 1.366 0 40 DDAB COC(=O)[C@H]1CCN(C(=O)CC2=CCCCC2)[C@H](C(=O)OC)C1 272669693 JZTIYFFIAJFYKF-KBPBESRZSA-N 323.389 1.830 0 40 DDAB CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)Nc1cnn(C)c1C 585280786 OYVZPBJYCABILX-GJZGRUSLSA-N 322.409 1.473 0 40 DDAB CCC[C@](C)(NC(=O)CCc1c(C)nn(C)c1C)C(=O)OC 45095455 UPVVJFXPUFKSNA-INIZCTEOSA-N 309.410 1.818 0 40 DDAB Cc1cc(C)c(NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1 47195569 GKXFIYKUSSAMGR-UHFFFAOYSA-N 310.419 1.281 0 40 DDAB Cc1cc(C)n(CCCNC(=O)c2ccnc(-n3ccnc3)c2)n1 58030725 CILZEGMBDILVAC-UHFFFAOYSA-N 324.388 1.901 0 40 DDAB Cc1ccc(OCC(=O)N2CCNC2=O)c(Br)c1 57525409 BICLYGXRCMTHDG-UHFFFAOYSA-N 313.151 1.688 0 40 DDAB CCc1noc(-c2ccc(CCNS(=O)(=O)CC)cc2)n1 69129840 NGSHEQDVTDCZHK-UHFFFAOYSA-N 309.391 1.781 0 40 DDAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[nH]1 69457890 ICJWPCWSSPTYAV-SSDOTTSWSA-N 319.287 1.553 0 40 DDAB O[C@@]1(CNCc2cc(F)ccc2Br)CCOC1 90193641 LPNHHZUYFSEGNZ-GFCCVEGCSA-N 304.159 1.829 0 40 DDAB CS(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121564 UVLXFIGSKIVBLY-UHFFFAOYSA-N 311.329 1.330 0 40 DDAB CCn1c(=O)ccn(Cc2cccc(Br)c2)c1=O 89300116 HJDCCKOYGWUFBF-UHFFFAOYSA-N 309.163 1.841 0 40 DDAB COc1c2c(c(Br)c3c1OCO3)[C@H](O)CN=C2 261828209 GNDOGOXZNVWENG-ZCFIWIBFSA-N 300.108 1.652 0 40 DDAB O=C(Cn1nc(-c2ccoc2)oc1=O)N1CCc2ccccc21 12143012 RWRDZCCLQSSISV-UHFFFAOYSA-N 311.297 1.686 0 40 DDAB Cc1sc2ncnc(NC3CCN(CC(N)=O)CC3)c2c1C 14855558 PRMKITQUQNXCDD-UHFFFAOYSA-N 319.434 1.670 0 40 DDAB COc1ccccc1CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104147357 IVEJPPRNMLAXSO-AZHAFVHUSA-N 301.342 1.834 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCCc2ccccc21 13793993 NWYOZNDVDVNQSI-OAHLLOKOSA-N 322.430 1.780 0 40 DDAB Cc1cc(C)n([C@@H](CNC(=O)[C@H]2CCOC2)c2ccco2)n1 575605735 SBZDYOVEWOTROB-KBPBESRZSA-N 303.362 1.835 0 40 DDAB Cc1ccc(C)c2sc(N3CC[C@@]4(C3)NC(=O)NC4=O)nc12 1888864343 QIPAIJTUEVUNTQ-HNNXBMFYSA-N 316.386 1.701 0 40 DDAB O=C([C@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCCC1 1889122786 DOUUXTBXRPFKJV-OAHLLOKOSA-N 310.344 1.788 0 40 DDAB O=C(c1cccc2ccccc12)N1CC(N2C(=O)CNC2=O)C1 244986199 JJZDYIOHISKUBY-UHFFFAOYSA-N 309.325 1.216 0 40 DDAB COc1cccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1F 2037984403 ZUWVKLCMJYTECV-KBPBESRZSA-N 322.380 1.513 0 40 DDAB Cc1ncnc(N2CCN(C(=O)CCC(F)(F)F)CC2)c1F 1775976318 LIDFLEPECSXGOR-UHFFFAOYSA-N 320.290 1.915 0 40 DDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1cnc2ccccc2n1 575617142 PROUWHRSUKTZHZ-OAHLLOKOSA-N 310.361 1.676 0 40 DDAB c1csc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)n1 2298180918 GMVRPIJBKBABLH-LBPRGKRZSA-N 319.434 1.972 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cncnc3)C[C@H]2C[C@@H]1O 2332242671 HNKXTBAQERWFRW-YVSFHVDLSA-N 313.405 1.426 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCOC1 40514290 XSYXZLSYIGXLTE-NSHDSACASA-N 302.334 1.217 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)c2nccs2)C1=O 40512990 NRWHQTRJCUVKEJ-JTQLQIEISA-N 317.370 1.920 0 40 DDAB COc1cccc(NC(=O)[C@@H]2CC(=O)n3cnnc3S2)c1 208956 BPXXZHVSAQGMTQ-JTQLQIEISA-N 304.331 1.430 0 40 DDAB COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C 1212 ZPUCINDJVBIVPJ-YJNKXOJESA-N 303.358 1.868 0 40 DDAB biogenic,in-vitro O=C(O)CCN1CCCN(c2nccc(C(F)(F)F)n2)CC1 2548797 XWSHYQQHJHLYCP-UHFFFAOYSA-N 318.299 1.482 0 40 DDAB CCN1C[C@@H](C(=O)N(CCOC)Cc2ccccc2)CC1=O 46141991 JCWPGVMCDWJQEW-HNNXBMFYSA-N 304.390 1.530 0 40 DDAB COCCNC(=S)N1CCN(c2ccccc2OC)CC1 3343725 HBUFXMIRHOMLRZ-UHFFFAOYSA-N 309.435 1.338 0 40 DDAB Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)on1 7226178 YQASFVVEHWMTHJ-UHFFFAOYSA-N 316.269 1.354 0 40 DDAB O=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21 32808720 BUQDDDKXVMNKPC-WCQYABFASA-N 307.371 1.575 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C3CC3)on1)CC2 89986421 WTZRJXPRNQYSPJ-HUUCEWRRSA-N 320.389 1.944 0 40 DDAB Cc1cccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 8748417 PKQAWSOVUYVNGG-UHFFFAOYSA-N 309.325 1.637 0 40 DDAB CN(C)CCCNC(=O)c1cn(CCN(C)C)c2ccccc12 75582397 HYZXKSHAAQPEQF-UHFFFAOYSA-N 316.449 1.884 0 40 DDAB COc1ccc(/C=C/C(=O)NC(=S)NC[C@@H]2CCCO2)cc1 508679 GDZFYLJPBLDKOU-MRZGDXHCSA-N 320.414 1.878 0 40 DDAB Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NCC2CC2)C1 108535721 NIDQVABYGPPTRP-FUHWJXTLSA-N 316.449 1.939 0 40 DDAB Cc1ccc(-c2nnc([C@H](C)N3CCN(CCO)CC3)o2)cc1 60993001 FOQPZYJOMDPGDG-AWEZNQCLSA-N 316.405 1.716 0 40 DDAB Cc1cc(NC(=O)CN2CCN(Cc3ccccn3)CC2)no1 22943271 DDFJIOJUQQMMQZ-UHFFFAOYSA-N 315.377 1.134 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 46881109 JASJTDHCDIGXIX-BETUJISGSA-N 306.454 1.674 0 40 DDAB Cc1occc1C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 104562572 FOVQMZQHADEOLQ-YRRQLQLVSA-N 300.314 1.430 0 40 DDAB Cc1cc(C)c2c(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)n[nH]c2n1 71284676 OBIMBSPRXYLZRF-NXEZZACHSA-N 302.334 1.870 0 40 DDAB CCCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 23946216 IGXQOGMBHNMHKG-INIZCTEOSA-N 303.362 1.761 0 40 DDAB O=C(NC1CCC(O)CC1)N1CCC(N2CCCCC2)CC1 42961352 WCTSYNBHUBVQJC-UHFFFAOYSA-N 309.454 1.950 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1ccc(F)cc1 54905622 VTHMBNXCMLEOQS-CHWSQXEVSA-N 300.337 1.783 0 40 DDAB COc1cccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCOCC2)c1 58151749 KOQMDNXALBSGLQ-KTRBRXNASA-N 318.373 1.072 0 40 DDAB O=C(NCC(=O)N1CCc2cnccc21)c1cc2ccccc2[nH]1 76066117 AYELLLUSGZGHMO-UHFFFAOYSA-N 320.352 1.882 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(Br)cn1 61873704 KUYLXZNLLAZOEU-SNVBAGLBSA-N 312.167 1.243 0 40 DDAB C[C@@H]1Oc2c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cccc2[C@H]1C 106746382 HWGCIBBOZUSIQC-MMPTUQATSA-N 323.414 1.878 0 40 DDAB CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 76018753 PGYOZUDLVRFLQS-GXFFZTMASA-N 310.781 1.987 0 40 DDAB O=C(CNCCn1cccn1)NCC1(c2ccccc2)CCC1 70016171 JYAYHTBDOOBZAU-UHFFFAOYSA-N 312.417 1.711 0 40 DDAB CN(CC(=O)NCC1(c2ccccc2)CC1)Cc1cnn(C)c1 27215350 AXYQEDAJKYFFBY-UHFFFAOYSA-N 312.417 1.700 0 40 DDAB COCCN(CC(N)=O)C(=O)COc1cc(C)ccc1C(C)C 58163120 JMAIEFXNQPVAJI-UHFFFAOYSA-N 322.405 1.458 0 40 DDAB NC(=O)N1CCC[C@H](C(=O)NCc2cc3ccccc3o2)C1 44952565 MQZYJGHJSPNUNS-LBPRGKRZSA-N 301.346 1.840 0 40 DDAB O=C(NCCCn1cccn1)N1CCN(c2nccs2)CC1 44968368 NYHUDYBPWSCNOL-UHFFFAOYSA-N 320.422 1.262 0 40 DDAB COc1ccc(CC(=O)N2CCCC[C@H]2CNC(N)=O)cc1 58344719 KCZLUTZPDFJUAM-ZDUSSCGKSA-N 305.378 1.287 0 40 DDAB COc1cccc(-n2nnc(C(=O)N3CCO[C@H](C)C3)c2C)c1 48127429 SPVSHLWSPOGWLE-LLVKDONJSA-N 316.361 1.445 0 40 DDAB Cc1cccn2cc(CC(=O)N[C@H](C)CN3CCCC3=O)nc12 69351875 ZGNZZERZLHNFTG-CYBMUJFWSA-N 314.389 1.312 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@H](C)CO1 45524626 XUCPQHMQRBIHTP-ZJUUUORDSA-N 307.375 1.094 0 40 DDAB Cc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)[nH]n1 48278617 UDNAUPGISDFOIQ-UHFFFAOYSA-N 313.405 1.270 0 40 DDAB O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(F)ccc1F 48235973 KJAKPFQFWNHLPV-UHFFFAOYSA-N 316.373 1.870 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3459850 XZVNLCYBQPNCJZ-PXAZEXFGSA-N 317.389 1.758 0 40 DDAB COCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341957 BLCXIGLTZHSLHE-UHFFFAOYSA-N 320.798 1.478 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc(Cl)c1 69416028 FIISJEGLUMOVPM-QWRGUYRKSA-N 309.797 1.864 0 40 DDAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)no1 69488659 PCNZSNDRUAACHN-AWEZNQCLSA-N 313.357 1.603 0 40 DDAB C[C@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 63363541 YOJBAFPKWAQCJB-VIFPVBQESA-N 302.421 1.658 0 40 DDAB CCCNC(=O)[C@H](C)[S@](=O)Cc1cccc(C(=O)N(C)C)c1 64839177 UXOBQTWTOAJOFO-YTEVENLXSA-N 324.446 1.552 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cnn(-c2ccccc2)n1 17304051 UDQIPNWMFQYZLP-UHFFFAOYSA-N 304.313 1.818 0 40 DDAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCNC3=O)n2)cc1 5255197 KXLSIWJIRITXER-UHFFFAOYSA-N 314.349 1.015 0 40 DDAB C[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)N1CCCC1 65444450 NBCOPRBFXKRFBJ-ZDUSSCGKSA-N 323.466 1.459 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](C(C)C)n2cncn2)c(=O)[nH]1 65552668 YEWXVCHRXAUHFZ-ZDUSSCGKSA-N 303.366 1.097 0 40 DDAB CCn1nnc2cc(C(=O)NCC(=O)NC(C)(C)C)ccc21 14236151 PVZMAZQRLFICAD-UHFFFAOYSA-N 303.366 1.096 0 40 DDAB COc1ccc([C@@H]2C/C(=C3/C(=O)N(C)C(=O)N=C3O)NN2)cc1 9059085 RJOUSSJYESACNT-OQDIYGIBSA-N 316.317 1.037 0 40 DDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cn1 93470992 UACVMMOTPPEBKY-MJBXVCDLSA-N 313.423 1.124 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)on1 97086382 OCGQUHIYMDNAMA-LBPRGKRZSA-N 300.318 1.303 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCc1ccccc1 96454860 ATPKIFJTJIOJKP-CQSZACIVSA-N 310.419 1.159 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@H]2CCCC[C@@H]21 71808780 UJLWYWXQSQJRLU-KBPBESRZSA-N 313.357 1.707 0 40 DDAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(=O)[nH]c1 71858743 DIZPKLIGRUISIP-UHFFFAOYSA-N 313.292 1.229 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)nn1 71872013 VBXNXCZZKSRSKF-GFCCVEGCSA-N 300.366 1.044 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNc2ncnc3[nH]cnc23)c1 71952755 RRCYZVWWVTZHEZ-NSHDSACASA-N 315.333 1.516 0 40 DDAB CCC[C@](C)(NCc1nc(-c2ccccn2)no1)C(=O)OC 71908274 SCFNZYZVPHDVFA-HNNXBMFYSA-N 304.350 1.953 0 40 DDAB CNc1cc(N2CCC[C@H]2CNCc2cscn2)ncn1 72276612 ZVOQIEHYPNLQHD-LBPRGKRZSA-N 304.423 1.733 0 40 DDAB CC(C)CCC(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 78996965 SIIYETLNPSKEIA-RHSMWYFYSA-N 304.390 1.313 0 40 DDAB C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc2c(c1)OCCO2 9608090 BEHKOLOUXXKWLB-VIFPVBQESA-N 301.302 1.032 0 40 DDAB Cc1onc(N)c1S(=O)(=O)Nc1cc(Cl)ccc1O 72240864 BLAMRQXOVCVSFA-UHFFFAOYSA-N 303.727 1.725 0 40 DDAB CCn1ncc2c1CCC[C@@H]2NCc1cnn(CCOC)c1 72298417 WWKXDCQATVLJMW-HNNXBMFYSA-N 303.410 1.913 0 40 DDAB C[C@H](C[S@@](C)=O)N(C)Cc1nc2ccccc2c(=O)n1C 97161726 MQCAIDBDYYNLGG-FIKIJFGZSA-N 307.419 1.132 0 40 DDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cn1 72330249 ODGXGACCWHASNQ-UHFFFAOYSA-N 314.297 1.914 0 40 DDAB Cc1nc2n(c1C)CCN(Cc1cc(=O)n3ccsc3n1)C2 97201461 YRDUJOQFXRWHQJ-UHFFFAOYSA-N 315.402 1.585 0 40 DDAB CC1(C)[C@@H](C(=O)NCCNC(=O)Nc2ccccc2)[C@H]1C(=O)O 72400540 UORPATOUVFRQBT-NEPJUHHUSA-N 319.361 1.281 0 40 DDAB Cc1ccc(Cl)c(OC[C@@H](O)Cn2nc(C)ccc2=O)c1 97375849 IHTZVPUYDOYJGA-LBPRGKRZSA-N 308.765 1.953 0 40 DDAB CC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCC(O)CC2)cc1 84410204 LFJIGYURLOUQNR-INIZCTEOSA-N 306.406 1.993 0 40 DDAB CC(C)N1CC[C@H](Nc2ccc(F)c(C(=O)N(C)C)c2)C1=O 84494660 HPMCDEZQOQXSIK-AWEZNQCLSA-N 307.369 1.949 0 40 DDAB C[C@H](NC(=O)Cn1c(-c2ccccc2)noc1=O)c1ccco1 84661263 JBHLPOACRHBMDM-NSHDSACASA-N 313.313 1.974 0 40 DDAB C[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 95446023 BRAMGOGEDVTMHC-UXIGCNINSA-N 305.378 1.409 0 40 DDAB O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H](CCO)C1 95443516 DNWUSRFTHQXEAA-NSHDSACASA-N 314.332 1.960 0 40 DDAB CN1C[C@@H](C(=O)NCCOCc2cccc(Cl)c2)CC1=O 95436341 OEZWGBGWUHQUNB-LBPRGKRZSA-N 310.781 1.451 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1(C)C 73273313 LANOGISHGADEBC-KNHMANMVSA-N 308.378 1.718 0 40 DDAB CC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O 95985344 AEEMHPMZOPPQAZ-KWQFWETISA-N 302.371 1.144 0 40 DDAB Cn1cc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cn1 95969907 LINMGSDPFPQJPT-OAHLLOKOSA-N 313.357 1.391 0 40 DDAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C2=COCCC2)cn1 95976953 PCJXOTBUNVNVKU-CQSZACIVSA-N 303.362 1.678 0 40 DDAB CCNC(=O)c1ccc(N2CCC(n3cccn3)CC2)nn1 95974249 DHKUWQPZPJHPSJ-UHFFFAOYSA-N 300.366 1.264 0 40 DDAB Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c(=O)[nH]1 75118660 HBVKJVWBGLNPIV-CQSZACIVSA-N 311.385 1.940 0 40 DDAB Cc1ccc(-c2noc(CN3CCC(=O)NC3=O)n2)cc1F 89644098 NFNXRLGTCYNDSO-UHFFFAOYSA-N 304.281 1.626 0 40 DDAB O=C1C[C@@H](C(=O)N2CCc3ccc(O)cc3C2)CN1CC1CC1 89807645 NSKPLBSLVLVJSL-OAHLLOKOSA-N 314.385 1.535 0 40 DDAB O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Cl 409335140 NWLHCBNOTUGXPA-YXMPFFBPSA-N 305.717 1.145 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 409046704 LMUNWAAAJKPPGF-NDBYEHHHSA-N 305.717 1.791 0 40 DDAB O=S(=O)(NCCc1ncc2ccccn12)c1ccc(F)cc1 31773152 YDAHGVBMTMUOMS-UHFFFAOYSA-N 319.361 1.994 0 40 DDAB CN(CCO)C1(CNC(=O)Nc2ccncc2)CCCCC1 79358830 ROELVSHDOISPEB-UHFFFAOYSA-N 306.410 1.830 0 40 DDAB COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 30697198 DEPQNGIXXNINEE-SNVBAGLBSA-N 322.386 1.051 0 40 DDAB O=C(NCc1cc2n(n1)CCCO2)c1ncc2c(F)cccn12 529401722 ZTIYWRKRYHLTPT-UHFFFAOYSA-N 315.308 1.382 0 40 DDAB COc1cccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1 70636714 QJBZRPXYJDPSET-OAHLLOKOSA-N 313.419 1.915 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1(COC)C(=O)O 218516522 QKJBZRSCNKITQT-SGMGOOAPSA-N 316.350 1.444 0 40 DDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H](O)C1CCCCC1 188300018 XZXJUVRSAYNBQP-OAHLLOKOSA-N 322.449 1.883 0 40 DDAB Cc1ccc(N2CCC(Nc3ccc4nnnn4n3)CC2)nc1 78305745 AONIIKWRDDYIQS-UHFFFAOYSA-N 310.365 1.304 0 40 DDAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1 43936891 CWQNGJLAXDOUAV-CYBMUJFWSA-N 324.425 1.919 0 40 DDAB COc1ccccc1-c1c2c(=O)[nH]ccc2nc2nc(C)nn12 40398421 MRFHJNZGZYOMCN-UHFFFAOYSA-N 307.313 1.950 0 40 DDAB COCCCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1 81555907 DEQHHQVNSSVCRW-UHFFFAOYSA-N 304.321 1.743 0 40 DDAB COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 44865826 TWLTZGPLTSYZEA-UHFFFAOYSA-N 313.737 1.364 0 40 DDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCC(C)C 225883614 MXLBEDONPQSNEX-UHFFFAOYSA-N 319.452 1.623 0 40 DDAB O=C(CCc1ccsc1)NS(=O)(=O)c1ncccc1F 195580243 BQLQWWYREBPFLT-UHFFFAOYSA-N 314.363 1.720 0 40 DDAB CCOCC(=O)N1CCCn2c(CN3CCCCC3)nnc2C1 96084798 PUYWKNPLQRMOGE-UHFFFAOYSA-N 321.425 1.033 0 40 DDAB O=C([C@H]1CSCN1C(=O)C1CCC1)N1C[C@H]2CCC[C@H]2C1 96462216 HJLKPBWOOWCUGY-HZSPNIEDSA-N 308.447 1.947 0 40 DDAB Fc1cnc(N2CC[C@@]3(C[C@@H](N4CCCC4)CCO3)C2)nc1 96207474 LAEWENJFQIKYEV-GOEBONIOSA-N 306.385 1.839 0 40 DDAB CC(C)NC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 96261231 FCNBKFJQRGMFHU-CQSZACIVSA-N 316.405 1.638 0 40 DDAB CCCS(=O)(=O)N1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 97953618 LJEDMHMKHHVETR-IJLUTSLNSA-N 315.395 1.412 0 40 DDAB O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 97953327 FOLUOEUDRWUIFS-NVXWUHKLSA-N 304.390 1.787 0 40 DDAB Fc1cccc(CN2C[C@@H]3OCCN(C4CCOCC4)[C@@H]3C2)c1 96248716 QBWGGZGHTHEIBO-MSOLQXFVSA-N 320.408 1.890 0 40 DDAB COc1ccc(CC(=O)N2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1 96068962 RDIZQSCAQWNMAI-DZGCQCFKSA-N 320.389 1.244 0 40 DDAB CC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H]1Cc1ccccc1 96200816 AZJOIJDWBUJUAX-MSOLQXFVSA-N 301.434 1.466 0 40 DDAB Cc1nc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)cs1 96430162 ZOYQVJHXELRYQX-UHFFFAOYSA-N 324.369 1.790 0 40 DDAB CN(C)CCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 96183646 NYLOFVVGSYTSCO-SOUVJXGZSA-N 323.462 1.158 0 40 DDAB COc1ncccc1C(=O)N1CCC(Oc2cnccn2)CC1 90677900 KEBCTMWMBFTIKO-UHFFFAOYSA-N 314.345 1.564 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 248579718 REYZTZDZGOHLKF-GREKMHCPSA-N 314.385 1.586 0 40 DDAB 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O=C(CSc1ccc(-n2cccn2)nn1)NC[C@@H]1CCCO1 70635207 HLTPHXKRPKEONL-NSHDSACASA-N 319.390 1.050 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)C1CCCC1 77264091 UQYSVUMNDUZATM-KFWWJZLASA-N 324.446 1.272 0 40 DDAB biogenic,in-vitro Cc1snnc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 72239899 YJHVNBAURALNKY-UHFFFAOYSA-N 320.393 1.944 0 40 DDAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CNCCO1 35605738 GYJOZTWAGQNZKH-LBPRGKRZSA-N 320.414 1.938 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(CC(C)C)n[nH]1 79096093 VFAREPXAYGNWMY-JTQLQIEISA-N 301.412 1.161 0 40 DDAB COC(=O)C(C)(C)Cn1c(=O)n(CC(=O)O)c2ccccc21 72233693 VEGRCTIKXAHYPT-UHFFFAOYSA-N 306.318 1.087 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nnc2ccccn12 79761426 DZGFYIMTRWGLDT-VIFPVBQESA-N 315.299 1.228 0 40 DDAB C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 78915097 QBUBENBSRLJYRP-SWLSCSKDSA-N 319.380 1.310 0 40 DDAB CC(C)CN1C[C@H](c2nc(-c3ccc(O)nc3)no2)CC1=O 562555938 KLNJVTDXIMLSEP-LLVKDONJSA-N 302.334 1.809 0 40 DDAB COC[C@@]1(C(=O)O)CCN(c2ncccc2-c2nc(C)no2)C1 566297135 FADGIINWOMWEDX-OAHLLOKOSA-N 318.333 1.368 0 40 DDAB O=C(O)[C@H](c1ccccc1F)N1CCN(c2cnccn2)CC1 572889548 RMRACBQEETWWEE-HNNXBMFYSA-N 316.336 1.564 0 40 DDAB O=C(NCc1ccc(F)cc1F)c1nc(-c2cnccn2)no1 44122688 HKJNMCASZBTHEJ-UHFFFAOYSA-N 317.255 1.735 0 40 DDAB O=c1c2cccnc2cnn1C[C@H](O)COCc1ccccc1 84926259 KGPYWRZPAFMYOB-AWEZNQCLSA-N 311.341 1.369 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C2)nn1 225427403 IMXSGZACHANJQE-ZBFHGGJFSA-N 313.357 1.498 0 40 DDAB Cc1nn(C)cc1[C@H](C)NC(=O)NCC[S@@](=O)C(C)(C)C 96408861 VJSFJJBMACVCOK-CWKPULSASA-N 314.455 1.636 0 40 DDAB COc1c(CN2CCN(Cc3ccncc3)CC2)c(C)nn1C 97376983 JGNJTPBQGNUDGU-UHFFFAOYSA-N 315.421 1.450 0 40 DDAB CC(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cccn3C)O2)C1 96206651 FBPCAULICPKIKH-RHSMWYFYSA-N 319.405 1.315 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 96189754 SNXQJHXOMQTHNI-CYBMUJFWSA-N 310.419 1.055 0 40 DDAB COC(=O)[C@H](C)CNC(=O)c1cc(C)ccc1-n1ccnc1 96444686 RFRRKLWBRKNJIC-GFCCVEGCSA-N 301.346 1.720 0 40 DDAB Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccccn3)C2)o1 96064963 RFPSBAGYVFKNEO-BPLDGKMQSA-N 300.362 1.920 0 40 DDAB CN(CCO)C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 96502594 NLJHFKPKADHLMQ-YESZJQIVSA-N 317.433 1.531 0 40 DDAB Cc1cc(C)n2ncc(CN3CCOC[C@@H]3c3ccn[nH]3)c2n1 257313702 UTSGYPKPCFVVME-OAHLLOKOSA-N 312.377 1.643 0 40 DDAB CC(C)CNC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)ncn2)C1 257284504 PCYBRKOQMUDJGV-KRWDZBQOSA-N 319.453 1.921 0 40 DDAB CCOc1cc(N2CCC[C@H]2CN2CCC[C@H]2CO)ncn1 253369665 GMRFPNJPXXEXLP-KBPBESRZSA-N 306.410 1.301 0 40 DDAB c1cncc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)c1 253602253 MBDGRMLCTQUNMG-HNNXBMFYSA-N 312.373 1.684 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(c3cc(C)nc(N)n3)C2)nn1 257255618 KIFJHDZOCAECCB-LBPRGKRZSA-N 313.409 1.658 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccc(F)cc2)n1 257293165 QOKAIUDURIAJKS-CQSZACIVSA-N 319.336 1.836 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)C1CCCCC1 257278353 OBXQYFLZZAKCKT-BRWVUGGUSA-N 324.465 1.687 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 257257237 KORCXLHLGILYPN-OWCLPIDISA-N 323.400 1.859 0 40 DDAB Cc1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)no1 257297815 RIWXGEMLQUIKFU-MRXNPFEDSA-N 316.361 1.139 0 40 DDAB Cn1nccc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257236579 HCVODXXEAYRUIG-NSHDSACASA-N 301.350 1.034 0 40 DDAB CCO[C@]1(C(=O)Nc2ccc(CCN(C)C)cc2)CCOC1 585140166 KDMAOZFHBHXCAW-QGZVFWFLSA-N 306.406 1.925 0 40 DDAB COc1cc(CN2CC3(C[C@H](CO)CN3C)C2)cc(OC)c1 585093860 KSMYZUZPCQBALD-AWEZNQCLSA-N 306.406 1.202 0 40 DDAB Cc1cnn(C)c1CN1CC[C@](O)(COc2cccc(F)c2)C1 585275329 ANYQPYQFKWRTBM-QGZVFWFLSA-N 319.380 1.883 0 40 DDAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 44891376 XMZNWJOILGFOGK-LBPRGKRZSA-N 317.370 1.517 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCCOc1ccc(F)cc1 58280690 YYKOAEXTKJBJOD-DOMZBBRYSA-N 322.380 1.873 0 40 DDAB CCc1nc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)no1 69350197 FEXPKMNJDCIRCL-CYBMUJFWSA-N 305.382 1.346 0 40 DDAB CCn1nc(C)c(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1C 78932940 RIABIDBJJPUOMS-GFCCVEGCSA-N 319.409 1.082 0 40 DDAB O[C@@H]1[C@@H](NCCc2cnccn2)CCC[C@H]1Oc1ccccc1 1615115701 UXFWVQJCPPXQJJ-RCCFBDPRSA-N 313.401 1.970 0 40 DDAB Cn1nc(NC(=O)CN2CCCCCC2=O)cc1C(F)(F)F 1548448170 QKKKRNMCJNNAAY-UHFFFAOYSA-N 318.299 1.780 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C[C@H]3COCCO3)C2)nc1 1888849841 AHPHVPRNZUSFPS-CABCVRRESA-N 306.410 1.101 0 40 DDAB O=C(CN1CCN(c2ccncn2)CC1)N1CCCCCC1 1889098640 BSMASWKBOFZUHY-UHFFFAOYSA-N 303.410 1.001 0 40 DDAB O=C1[C@@H](N2CCC[C@@H](COc3ncccn3)C2)CCN1C1CC1 1849062665 UKDYAXHMUVKULC-HIFRSBDPSA-N 316.405 1.331 0 40 DDAB O=C(NCCc1cccnc1)N1CCN(c2nccs2)CC1 26312270 FXJDLNJCKSEJBI-UHFFFAOYSA-N 317.418 1.612 0 40 DDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 37975425 LADVHJINYJCCOP-JTQLQIEISA-N 302.371 1.361 0 40 DDAB O=C1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1CC1CC1 1565546274 YAEYUNREAMMNBV-UHFFFAOYSA-N 306.406 1.008 0 40 DDAB CN(C)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 4060438 QFFJEQMHGFHMDH-UHFFFAOYSA-N 316.317 1.733 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2cc(C3CC3)on2)CC1 2086865376 ROIUWNWCVHGECS-CYBMUJFWSA-N 320.437 1.583 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCc2cccnc2N(C)C)C1 40093739 YQMKPTSUPPZVQZ-LBPRGKRZSA-N 312.439 1.214 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 30804621 ZQCXGKHIHICDHD-UHFFFAOYSA-N 315.377 1.474 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OCCOCC)C1 50691926 JGYROTGKQLMYBM-ZIAGYGMSSA-N 314.426 1.193 0 40 DDAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)N1CCCC1 148797 YYUFWKADGZVZBI-UHFFFAOYSA-N 318.402 1.354 0 40 DDAB Cc1ccnn1-c1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 40521653 ISQADIPTAMAFSF-HNNXBMFYSA-N 312.373 1.579 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 40516211 BNECNOKNHWZSIG-LBPRGKRZSA-N 320.370 1.601 0 40 DDAB CCN(C[C@@H]1CN(Cc2ccno2)CCO1)c1cccnn1 89969168 BHWVINOSFGDJMO-AWEZNQCLSA-N 303.366 1.192 0 40 DDAB C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C[C@H](C)O1 29505062 RSZAIPMZWVZADS-UWVGGRQHSA-N 304.346 1.143 0 40 DDAB Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1C 1355791 VCBDSXBWJATQHI-UHFFFAOYSA-N 320.374 1.261 0 40 DDAB Cn1nc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2c1=O 101728527 LVPBZMYCBWTTRQ-AVGNSLFASA-N 309.369 1.876 0 40 DDAB Fc1cnc(NN=Cc2cccnc2)nc1N1CCOCC1 4152239 WCEIMXYCVTYOEO-UHFFFAOYSA-N 302.313 1.293 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 4179792 DFIXDJRGFPYTRF-RQJABVFESA-N 305.330 1.190 0 40 DDAB CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 6540593 RPMHBKPOIIURDJ-CYBMUJFWSA-N 312.435 1.405 0 40 DDAB Cc1ccsc1CN(C)CCn1nc2ccccn2c1=O 32804009 OBNIMNMGZWEIHS-UHFFFAOYSA-N 302.403 1.998 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1 21668605 HFTXRHCRNAJZNH-ZWNOBZJWSA-N 314.382 1.427 0 40 DDAB Cc1cc(NC(=O)CNc2cccc(S(C)(=O)=O)c2)no1 29942115 POZNOCDQEWPQSO-UHFFFAOYSA-N 309.347 1.437 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccc2)[nH]n1 46888177 PRQIAJNRPWRBRQ-ZDUSSCGKSA-N 314.389 1.527 0 40 DDAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 22620270 RAGLVPCBKZMVEN-OAHLLOKOSA-N 313.357 1.913 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1cccc(C[S@](C)=O)c1 42368261 RMLUVTHXMPAFTK-LAJNKCICSA-N 305.403 1.580 0 40 DDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 54223144 UMVABPNXGDQVLX-NFAWXSAZSA-N 324.446 1.371 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CCNC[C@@H]1C 54370788 ALUHOFAHROKXHK-VIFPVBQESA-N 300.200 1.704 0 40 DDAB CC1CCN(CCNC(=O)N2CCN3CCCC[C@H]3C2)CC1 105127358 BWLSBASASRFOBW-INIZCTEOSA-N 308.470 1.598 0 40 DDAB COc1ccc(Cl)cc1/C=C/C(=O)NCCN1CCOCC1 54858931 PWMNJSWBGCBNGU-GORDUTHDSA-N 324.808 1.810 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccncc2)c1 24357117 IQIUNDANFARQFL-LLVKDONJSA-N 320.370 1.908 0 40 DDAB C[C@H](NC(=O)[C@@H](C)n1cncn1)c1ccc2c(c1)NC(=O)CO2 47511649 XXSPHCULDCAKGZ-VHSXEESVSA-N 315.333 1.047 0 40 DDAB CCc1nc2n(n1)C[C@H](Nc1nc3ccccc3c(=O)[nH]1)CC2 105793300 DTSBDPYTTUNKJC-SNVBAGLBSA-N 310.361 1.504 0 40 DDAB Cc1ccc(C(=O)NCCCn2ncc3c2c(C)nn3C)o1 57279064 YGRVSSZBNXKMQE-UHFFFAOYSA-N 301.350 1.800 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1cccnc1 106771830 YHWNQEJBDGVCDY-YESZJQIVSA-N 317.433 1.754 0 40 DDAB Cc1nn(C)c(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1C 106853194 BHLQJDXFEFAVOS-UHFFFAOYSA-N 321.381 1.086 0 40 DDAB Cn1ncc2c(NCc3ccnc(-n4cccn4)c3)ncnc21 25499656 UQUZBRCAXWERAI-UHFFFAOYSA-N 306.333 1.556 0 40 DDAB C[C@H](c1cccnc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 100838129 YJVLFNZBZUJYKU-BVEFZAQCSA-N 300.314 1.009 0 40 DDAB CC(C)(NC(=O)c1[nH]c2ccccc2c1Br)C(N)=O 57258132 YNWHODMJBZNWDP-UHFFFAOYSA-N 324.178 1.924 0 40 DDAB CN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)c(Cl)c1 57395686 NUXRCFWWRWRZML-UHFFFAOYSA-N 316.188 1.977 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCS(=O)(=O)C1 10219795 WOXGQCHJLKCHNH-GFCCVEGCSA-N 320.370 1.601 0 40 DDAB COC(=O)c1ncn(CN2CCC[C@H]2Cc2cccc(F)c2)n1 58267528 ZQLNODNQSQUBSD-AWEZNQCLSA-N 318.352 1.868 0 40 DDAB CC(C)N(C)S(=O)(=O)NCCCN1CCc2ccccc21 44937371 MEEDDJFZSAPWGU-UHFFFAOYSA-N 311.451 1.614 0 40 DDAB C[C@@H](C(N)=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58310295 IBMLGQKDFRIQSN-JQWIXIFHSA-N 318.352 1.929 0 40 DDAB CN(C)[C@@H](CNC[C@@H]1CNc2ccnn2C1)c1ccsc1 58326345 XGXPJIVDGYLXRM-OCCSQVGLSA-N 305.451 1.879 0 40 DDAB Cn1cc(CNC(=O)c2ccc(Br)cc2O)cn1 45137399 SDIKLJBUUQBWDH-UHFFFAOYSA-N 310.151 1.818 0 40 DDAB CCOC(=O)c1sc2nc(N3CCOCC3)[nH]c(=O)c2c1C 36379794 QDHKHIWZFWSHBY-UHFFFAOYSA-N 323.374 1.306 0 40 DDAB Nc1cc(F)ccc1C(=O)OCc1nnnn1-c1ccccc1 10804189 XBMJVSQCBANIFJ-UHFFFAOYSA-N 313.292 1.741 0 40 DDAB CC(=O)N[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 48275738 TZIOXVLEBYAUPF-GFCCVEGCSA-N 306.391 1.899 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)NC1(C(=O)O)CCCCC1 12771522 RVLMGUMJNWXQAY-UHFFFAOYSA-N 319.357 1.904 0 40 DDAB CCCNC(=O)CSc1nnc(NC[C@H]2CCCO2)s1 12868124 HRBRXZXUNCQCGA-SECBINFHSA-N 316.452 1.747 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 12883134 KPPPRBSSKFAOIA-TXEJJXNPSA-N 306.362 1.506 0 40 DDAB COCCn1c(S[C@H]2CCOC2=O)nc2ccccc2c1=O 3452410 XZRARPCEKKMDNJ-LBPRGKRZSA-N 320.370 1.451 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3503386 VSUJBOLSWGANED-UHFFFAOYSA-N 320.132 1.188 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2ccn(-c3ccccc3)n2)C1=O 69844649 VEEPZSLMYDZESM-MRXNPFEDSA-N 314.345 1.329 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 4088793 ZVDCWXUXYVTYRV-IRXDYDNUSA-N 324.380 1.513 0 40 DDAB biogenic O=C(c1ccc2[nH]cnc2c1)N1CCN(c2ncccn2)CC1 13690030 DUHAFCDMHUBSFT-UHFFFAOYSA-N 308.345 1.315 0 40 DDAB COC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4385901 GEABFLISLCYQKM-AXAPSJFSSA-N 320.320 1.483 0 40 DDAB Cc1c(C)c2ccc(OCC(=O)NCCCO)cc2oc1=O 5244325 JJBJGIBLEJOSGX-UHFFFAOYSA-N 305.330 1.287 0 40 DDAB CC(=O)c1ccccc1OCCn1nnn(-c2ccccc2)c1=O 14094182 IHCPBDWBYUPZDI-UHFFFAOYSA-N 324.340 1.711 0 40 DDAB COC(=O)CCNC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 69535102 KGKOXAJMQKRQBY-LBPRGKRZSA-N 310.394 1.237 0 40 DDAB Cc1nn([C@@H](C)C(=O)NCc2cc[nH]n2)cc1Br 6413272 DENBQJQWPMUMDI-QMMMGPOBSA-N 312.171 1.555 0 40 DDAB CCOc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 26505259 XYOVHLOQDKPFIP-RYUDHWBXSA-N 312.416 1.739 0 40 DDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1 5416202 GUKSGXWDYFCIEH-CQSZACIVSA-N 304.346 1.846 0 40 DDAB COc1cccc(NC(=O)CNC[C@@H](O)c2ccccc2)c1 6587228 KHFLNGBODYTAEP-MRXNPFEDSA-N 300.358 1.957 0 40 DDAB COc1ccc2nc(SCc3nc(N)nc(N)n3)[nH]c2c1 6930980 RZCONTIACORCDW-UHFFFAOYSA-N 303.351 1.213 0 40 DDAB C[C@]1(c2ccccc2)CCCN(CCCN2C(=O)CNC2=O)C1 79097533 MNCHSMAQEPSJRU-SFHVURJKSA-N 315.417 1.982 0 40 DDAB Nn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1 72646276 OPSPVMBLMFOUME-UHFFFAOYSA-N 303.391 1.373 0 40 DDAB O=S(=O)(NCc1nnc2ccccn12)c1cccc(F)c1 8937399 ZGOBJGJRLNUSAW-UHFFFAOYSA-N 306.322 1.347 0 40 DDAB COc1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc(OC)c1 8942476 UAMVDVOOQCNEIM-JTQLQIEISA-N 311.359 1.591 0 40 DDAB C[C@H](C[S@](C)=O)NC(=O)NCCC1Cc2ccccc2C1 96010076 MSVWVCKLRGWIOG-XUSGNXJCSA-N 308.447 1.858 0 40 DDAB COCCn1cc2c(n1)[C@H](Nc1nccc(OC)n1)CCC2 96002461 ZPLUSAUQJMVBNH-GFCCVEGCSA-N 303.366 1.818 0 40 DDAB CC(=O)C[C@H]1COCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 96011971 QDNMNUVPNHQXEJ-KQIUPUNMSA-N 317.341 1.635 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cccn3C)CCO2)n1 78890004 FWERJJCEVKVLBS-LBPRGKRZSA-N 303.366 1.309 0 40 DDAB CCS(=O)(=O)CCn1ccc(N[C@H]2CCCSC2)n1 97084731 GMGGYACSIHNUMX-NSHDSACASA-N 303.453 1.625 0 40 DDAB O=C1CCCc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccccc1 19818736 SGXBDQYHOOQRRK-UHFFFAOYSA-N 321.336 1.652 0 40 DDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1OCCc2ccccc21 97020590 SQZROCHRCRSWNJ-INIZCTEOSA-N 321.340 1.915 0 40 DDAB Cn1ncc(N2CCC[C@H](C3(C)OCCO3)C2)c(Cl)c1=O 97086192 JVRKLXRCKGZTCM-JTQLQIEISA-N 313.785 1.413 0 40 DDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnn[nH]1 71796058 VIBHQTDIHVTFNX-ZCFIWIBFSA-N 301.228 1.625 0 40 DDAB O=c1[nH]c(CCN2CCC[C@@H]2Cn2cccn2)nc2ccccc12 72268124 NLDMJMLTMWWGEP-CQSZACIVSA-N 323.400 1.827 0 40 DDAB CN(C)c1cc(C(=O)NCCCC(N)=O)c2ccccc2n1 97109659 UQECXJQGFMEFNR-UHFFFAOYSA-N 300.362 1.296 0 40 DDAB Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cccnc1 72300217 JQTUHDPNPKTSQT-ZDUSSCGKSA-N 306.391 1.440 0 40 DDAB CN(C)CCN(C)C(=O)CCCN(C)C(=O)OC(C)(C)C 72309989 UPTGISMZEQRQAH-UHFFFAOYSA-N 301.431 1.654 0 40 DDAB Cn1cc([C@H]2OCC[C@H]2CNCc2cnn3ccccc23)cn1 84317579 PUYWGYLSRKAHRT-GUYCJALGSA-N 311.389 1.935 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N[C@@H](CC(=O)O)c1cccc(F)c1 72401455 YVTSUSGPMYUCMK-DRZSPHRISA-N 323.320 1.815 0 40 DDAB C[C@@H]1OCC[C@H]1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97379651 JISAJVCIYHPKDJ-WCQYABFASA-N 300.362 1.555 0 40 DDAB COC(=O)C[C@@H](C)c1nc(CC(=O)N(C)c2ccccc2)no1 97377680 SMADPGSARFUHKG-LLVKDONJSA-N 317.345 1.942 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)no1 97372306 DACFYNDHDUVJLU-LBPRGKRZSA-N 300.318 1.303 0 40 DDAB Cc1nc(C)c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 79004374 NBHVEPAWQVMMDE-JTQLQIEISA-N 308.407 1.322 0 40 DDAB CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cccn2)cc1 95451916 VEARRVHBMMFZAF-OAHLLOKOSA-N 312.373 1.613 0 40 DDAB CCNC(=O)[C@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 408923954 INQOQGPYOATMBS-NSHDSACASA-N 314.407 1.376 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)N(C)C)cc1 98014175 SIBQBWMNICKEQR-GJZGRUSLSA-N 312.435 1.859 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)NC(N)=O 88282446 WHOULRXBRSXGDA-YPMHNXCESA-N 304.394 1.300 0 40 DDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2ccnc(Cl)n2)C1 61714954 QUGHHEXVVGYINM-MNOVXSKESA-N 302.765 1.915 0 40 DDAB biogenic Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(Cl)nc2C(N)=O)n1 89591662 HOTYNLBHJLDKBH-VIFPVBQESA-N 321.768 1.847 0 40 DDAB O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(C2CC2)C(=O)C1 89783233 QLGMDGOHBFMRNI-CABCVRRESA-N 302.349 1.762 0 40 DDAB Cc1ccc(C[C@H](C)C(=O)N(C)C[C@@H](C)c2nnn[nH]2)cc1 124431029 TUUDTVLGRGJYCL-QWHCGFSZSA-N 301.394 1.949 0 40 DDAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 39985203 VFUJNCGSKSIUJM-UHFFFAOYSA-N 314.407 1.232 0 40 DDAB Cc1cc2c(c(=O)n1C)[C@H](c1ccnn1C(C)C)CC(=O)O2 524734386 ABOBPQHNVWCWHZ-NSHDSACASA-N 301.346 1.912 0 40 DDAB O=S(=O)(NC[C@@H]1CCCNC1)c1cccc2cnccc12 39325680 LVKNSNFJNYCSHC-GFCCVEGCSA-N 305.403 1.513 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1cccc(F)c1 72241718 CNXZZLQJJWEGRS-CVEARBPZSA-N 320.364 1.783 0 40 DDAB COCCNC(=O)NCC1CCN(Cc2cccs2)CC1 38489603 ADDNSHGZXXQKGN-UHFFFAOYSA-N 311.451 1.906 0 40 DDAB COC(=O)[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)C(C)C 32096443 TVVWFOUJFBSCQV-CABCVRRESA-N 320.389 1.967 0 40 DDAB O=C(COC1CCCC1)NCc1ccc(-c2nnn[nH]2)cc1 78912182 WFCLQARTNICJPG-UHFFFAOYSA-N 301.350 1.442 0 40 DDAB Cc1nc(CN2CCN(c3ccccc3)CC2)ncc1C(=O)O 217345561 USIKCCROSCQQKE-UHFFFAOYSA-N 312.373 1.805 0 40 DDAB O=C1CCCC[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)N1 560872866 VFRHZGGDLGWRFS-RRFJBIMHSA-N 302.374 1.380 0 40 DDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 32971888 SIQJWSPCLHROOJ-GWCFXTLKSA-N 320.393 1.410 0 40 DDAB CN1CC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 75584159 LDLOYZRQPLTBGF-ZDUSSCGKSA-N 300.362 1.599 0 40 DDAB COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)n[nH]c1C 79485758 RWLKRBDLTYSRFO-SNVBAGLBSA-N 304.302 1.847 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc3cccnc23)C1 72368738 AQLVPDJLAAVRPL-CYBMUJFWSA-N 319.430 1.906 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)CCc1nc2ncccc2[nH]1 79477665 BKPRUMFXVHUNTF-GFCCVEGCSA-N 301.394 1.491 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)n1nnc2ccccc2c1=O 44450464 IESIGCSVIIJTLM-GFCCVEGCSA-N 320.352 1.942 0 40 DDAB COc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)cc1 225952706 WXRGYMOYHKMUEJ-CQSZACIVSA-N 312.391 1.448 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@H]1CCCCO1 195574179 QXQYLMPSKBTPFD-ILXRZTDVSA-N 318.483 1.595 0 40 DDAB COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1 225952723 WXRGYMOYHKMUEJ-AWEZNQCLSA-N 312.391 1.448 0 40 DDAB COCc1ccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)o1 130580655 FVJUWBGBTODGHU-GFCCVEGCSA-N 319.365 1.601 0 40 DDAB O=C(NCc1ccc(F)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85466807 MNGFGYXFSCZBMY-MRXNPFEDSA-N 321.396 1.424 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C)Cc1ncnn1-c1ccccc1 225627046 ZUVBCYARESPSDU-LBPRGKRZSA-N 308.407 1.132 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)NCc1cnn2c1CCCC2 225611112 JFCCOMROZGPLCC-UHFFFAOYSA-N 313.357 1.807 0 40 DDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(c2ccccn2)CC1 225510714 NUDMTOMCOPHCPB-CYBMUJFWSA-N 311.389 1.258 0 40 DDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 96066278 BMCNZIDNCQBLTO-UAGQMJEPSA-N 322.449 1.561 0 40 DDAB COCCCNC(=O)CN1CCS[C@H](c2ccccc2)C1 96410576 QVELRHVJLBYNDH-HNNXBMFYSA-N 308.447 1.929 0 40 DDAB COCCN1CCOC[C@]2(CCCN(c3nccs3)C2)C1 96076287 SEAIDUJWEGGBKY-OAHLLOKOSA-N 311.451 1.708 0 40 DDAB COC(=O)c1coc(C(=O)NCC2(c3ccncc3)CC2)c1 97376502 XWDPOYUVRAFGEU-UHFFFAOYSA-N 300.314 1.923 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 96239118 NPBAECIDEKRYHU-MRXNPFEDSA-N 300.362 1.382 0 40 DDAB CCOC[C@@H]1CN(C(=O)N(C)C)Cc2ncn(CC3CC3)c21 96060342 WTAFMHSUBLTWPG-ZDUSSCGKSA-N 306.410 1.910 0 40 DDAB CC(C)c1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)n(C)n1 96461317 MXGCBTAUDWFELA-NSHDSACASA-N 305.378 1.711 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](C2(C)OCCO2)C1 181295434 DRXIPRNCRFCLQJ-ZDUSSCGKSA-N 308.378 1.836 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 96053756 ZMNSSYQOKAJHCG-IRXDYDNUSA-N 308.385 1.681 0 40 DDAB COC(=O)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 96447079 JVXJQFAUKIPGDP-UHFFFAOYSA-N 304.390 1.496 0 40 DDAB c1ccc(CN2CCCn3c(nnc3Cn3cccc3)C2)nc1 96259639 UOSZDZLCTHMARG-UHFFFAOYSA-N 308.389 1.929 0 40 DDAB CCn1ccc(=O)nc1S[C@@H]1CCN(CC(F)(F)F)C1=O 96410881 AYAOQJXGFFTVRA-MRVPVSSYSA-N 321.324 1.519 0 40 DDAB C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](c2ccco2)C1 96441276 DPTTXSZVJJYBTL-VXGBXAGGSA-N 317.345 1.129 0 40 DDAB C[C@H]1CN(C(=O)NCc2ccon2)CCN1CC(F)(F)F 96485891 RTKUEZXQZSDYTR-VIFPVBQESA-N 306.288 1.453 0 40 DDAB OC[C@H](O)CSCc1cn2cc(Br)ccc2n1 96452825 KGXPSPLWSQKLMR-JTQLQIEISA-N 317.208 1.683 0 40 DDAB Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 96186277 UBLYKPPSDSKCRE-KBPBESRZSA-N 303.362 1.599 0 40 DDAB N[C@@H]1CCCCC[C@@H]1NC[C@H](N1CCOCC1)C(F)(F)F 332298540 GUKLOPQCDCABPA-AGIUHOORSA-N 309.376 1.499 0 40 DDAB CN(C)CCOCc1cncc2c1CCN(C1CCOCC1)C2 96189352 GLPNPEIQXWGJRC-UHFFFAOYSA-N 319.449 1.697 0 40 DDAB CCC(=O)NC[C@H]1Cn2cc(-c3ccc(OC)cc3)nc2CO1 96269340 IDCFFWANAVPBMH-AWEZNQCLSA-N 315.373 1.984 0 40 DDAB biogenic,in-vitro COCC(=O)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257206627 BEGZBVMGGUMULU-HNNXBMFYSA-N 314.345 1.085 0 40 DDAB NCC(=O)N1CCC2(CC1)CO[C@H](Cc1ccc(F)cc1)C2 257327926 XDJZDSUTMOWXAI-OAHLLOKOSA-N 306.381 1.725 0 40 DDAB COCC(=O)N1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 257209492 BQQFTBVAAPPUKK-UHFFFAOYSA-N 315.377 1.294 0 40 DDAB C[S@@](=O)Cc1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1 262231888 YQFLNCPMKQUQEF-JOCHJYFZSA-N 323.414 1.892 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCC2)C1 575403164 DUGWMPHJOYGQAJ-LERXQTSPSA-N 302.378 1.091 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2cnn(C)c2)C1 585274811 OFJCIJBMBKVYEJ-QGZVFWFLSA-N 301.390 1.744 0 40 DDAB Cc1ccc(C[C@@H]2CN(C(=O)CCC(=O)O)CC[C@H]2O)cc1 585274314 IUWGUXWOAPKOSK-HUUCEWRRSA-N 305.374 1.612 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc(C(F)(F)F)nc1 43511022 GJIBTQJYYHYDOB-NSHDSACASA-N 320.292 1.791 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCc2cnn(C)c2)n1 46993485 VQORTGRKCHCIBB-LBPRGKRZSA-N 318.425 1.411 0 40 DDAB O=C(CCn1cncn1)NCCOc1ccc2c(c1)CCC2 56009423 DSWVUOXHXFGLAX-UHFFFAOYSA-N 300.362 1.352 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)C[C@@H]2CCCO2)CC1 69923249 MCQNHSKKCGSMEG-HNNXBMFYSA-N 320.437 1.506 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1cc(C(F)(F)F)nc(N)n1 72380940 RXRMXNRRUJGMLN-ZETCQYMHSA-N 310.301 1.174 0 40 DDAB Cc1ccc2c(c1)cc(C)c1nn(CC(=O)NC(C)C)c(=O)n12 12181992 FGCREAUPDOPSII-UHFFFAOYSA-N 312.373 1.791 0 40 DDAB COc1cc(-c2nc3[nH]c(C)cc(=O)n3n2)cc(OC)c1OC 13611478 UKCAINSQKBXVFV-UHFFFAOYSA-N 316.317 1.419 0 40 DDAB COc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1OC 19560783 NZWVPTOUXAYRON-CVEARBPZSA-N 320.433 1.735 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCCCOC(C)C)c(=O)nc2c1 164574862 RRYRQHIOCXVOGT-UHFFFAOYSA-N 319.361 1.253 0 40 DDAB CN(C)C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 19966828 XIKJCKJDZGKICB-UHFFFAOYSA-N 311.135 1.067 0 40 DDAB in-vitro O=S(=O)(N[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1)C1CC1 1889104485 RSYSJBNIOKSHSK-GFCCVEGCSA-N 322.434 1.405 0 40 DDAB Cn1nnc2c1CCN(C(=O)c1cc[nH]c1)[C@H]2COCC1CC1 1565552323 ZUFWBQQTKFHFOJ-AWEZNQCLSA-N 315.377 1.309 0 40 DDAB CC(C)N(C)C[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2nccn2C1 1565550797 FUGRQXXIYZEYJT-ZDUSSCGKSA-N 316.409 1.219 0 40 DDAB COc1cccc2s/c(=N/C(=O)C3=COCCO3)n(C)c12 12378197 FINICROZDYIMRU-CCEZHUSRSA-N 306.343 1.564 0 40 DDAB O=C(NCCc1ccccc1)NCc1cn(-c2cccnc2)nn1 575618951 RWWWTADAYDNENG-UHFFFAOYSA-N 322.372 1.704 0 40 DDAB CC(C)CN1CCC(Cn2nc(-n3cncn3)ccc2=O)CC1 585500828 QDFYDKZMWJPIKZ-UHFFFAOYSA-N 316.409 1.192 0 40 DDAB O=C(Cc1ccc(C(F)(F)F)cc1)NCCN1CCOCC1 40488855 JHOXLFDTCDKCGX-UHFFFAOYSA-N 316.323 1.696 0 40 DDAB Cc1c(C(=O)NC[C@@H]2CCCO2)sc2nc(C)n(C)c(=O)c12 31868371 UNHJECIKYWBOPE-JTQLQIEISA-N 321.402 1.521 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 238298 GQROLTMRNWCZJF-UHFFFAOYSA-N 321.310 1.884 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc2cn[nH]c12 89919987 BIEREVOULVZWSJ-UWVGGRQHSA-N 307.375 1.211 0 40 DDAB C[C@H](NC(=O)CN1CCSC1=O)c1nnc2n1CCCCC2 29255246 IGRJURXKSIAKAG-JTQLQIEISA-N 323.422 1.351 0 40 DDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NC(C)C)n2)cc1 20724125 BWTPOHIPERZHDC-UHFFFAOYSA-N 318.333 1.745 0 40 DDAB Cc1ccoc1-c1nnc(CNCC2CCN(CCO)CC2)o1 69703940 ONZHHUYOOPOHGU-UHFFFAOYSA-N 320.393 1.432 0 40 DDAB Cc1oc(C)c(C(=O)OCC(=O)N[C@H]2CCCCNC2=O)c1C 46247193 LYVLJJLSBSIMLH-LBPRGKRZSA-N 322.361 1.147 0 40 DDAB CSCC[C@H](NC(=O)c1cnc2ccccc2c1)C(N)=O 1612215 BUFKURJYXCFBRD-ZDUSSCGKSA-N 303.387 1.572 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(c3cccc4ccccc34)[C@H]2C1 4227013 HGSBXHAYMXBNSO-JSGCOSHPSA-N 318.423 1.700 0 40 DDAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c(F)c1 32806299 RNYQPSMQGZJGLL-MRXNPFEDSA-N 320.364 1.856 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1C(N)=O 7687145 XSDSXSBQTGZRSX-NSHDSACASA-N 312.391 1.032 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)c1ccsc1 89949364 BOKSGJKVBCYCCI-OLZOCXBDSA-N 310.419 1.689 0 40 DDAB O=C(NCCc1cccs1)c1cnc2n(c1=O)CCS2 21703821 NUQGPINJCQUNCP-UHFFFAOYSA-N 307.400 1.383 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccccc1 32975502 FOYZSEXBRYRPPK-ZENOOKHLSA-N 304.390 1.890 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(C)C)CC2)c1 41398490 CKRHZUTZGVCIHN-UHFFFAOYSA-N 320.389 1.644 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@](C)(O)c1ccco1 76085557 OPXJMAIXURBIHB-WBMJQRKESA-N 318.377 1.597 0 40 DDAB Cn1cc([C@](C)(O)CNC(=O)c2cc3cccc(F)c3o2)cn1 76085111 DPNYXOFKBKSQPK-MRXNPFEDSA-N 317.320 1.943 0 40 DDAB C[C@@]1(NC(=O)CCc2cc(F)ccc2F)CCS(=O)(=O)C1 52958313 FJIVTWYHQDKUGB-CQSZACIVSA-N 317.357 1.591 0 40 DDAB C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 9951573 AVYLWJDGYNCEJW-GFCCVEGCSA-N 318.398 1.868 0 40 DDAB COc1ccc(CN2CNc3nc(C)c(C)c(=O)n3C2)cc1 101451716 QMZKTJPQSYSBHH-UHFFFAOYSA-N 300.362 1.711 0 40 DDAB CN1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 23110429 FDVUUCOIKMKDCO-CQSZACIVSA-N 319.430 1.700 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc12 55394167 IGIKBMBXDBLLAS-CQSZACIVSA-N 323.356 1.233 0 40 DDAB Cn1cc(NC(=O)CCN2C(=O)COc3ccccc32)cn1 25306370 VKTSDAKFBOKRHX-UHFFFAOYSA-N 300.318 1.174 0 40 DDAB O=C(C=C1CCCCC1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 56969162 NNIWOVZTZLFGPK-SJORKVTESA-N 322.449 1.730 0 40 DDAB NC(=O)c1ccnc(N2CCN(C(=O)CC3CCCC3)CC2)c1 78393930 BBQNLDPTAOCEQD-UHFFFAOYSA-N 316.405 1.409 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1 47927603 HURXYEKAYPVSEL-TZMCWYRMSA-N 306.337 1.252 0 40 DDAB O=C1C=C(C(=O)O)[C@@H]2C(C3CC3)=NN(c3ccc(F)cc3)[C@@H]2N1 35655608 SQNLEOIJBHWJBY-HIFRSBDPSA-N 315.304 1.495 0 40 DDAB COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c(F)cc1F 44466391 COKTYXHKPZOBLT-QUBYGPBYSA-N 300.217 1.355 0 40 DDAB COCCN1CC2(CCC1=O)CCN(Cc1cncn1C)CC2 108534489 HQGMEWYLHRQMPG-UHFFFAOYSA-N 320.437 1.271 0 40 DDAB CCOc1ncccc1NC(=O)CSc1cccc[n+]1[O-] 27583960 VRCQAWMSXNHJHH-UHFFFAOYSA-N 305.359 1.845 0 40 DDAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)CNC(=O)C1CC1)CCO2 58247041 IOCHGXDHBWAQDV-AWEZNQCLSA-N 302.374 1.769 0 40 DDAB C[C@@H](CNC(=O)c1ccc(-n2cccn2)nc1)Cn1cccn1 58214862 JSTASQSOIIZBFS-ZDUSSCGKSA-N 310.361 1.530 0 40 DDAB COc1ccccc1CNC(=O)N[C@@H](CCSC)C(=O)O 2102403 RUKQOLMGYIRNOZ-NSHDSACASA-N 312.391 1.701 0 40 DDAB biogenic Cc1cc([C@H]2CCCN2Cn2nc3n(c2=O)CCCCC3)on1 44979291 XODRRYMALHPMRE-CYBMUJFWSA-N 317.393 1.862 0 40 DDAB CCOc1ncccc1CNC(=O)N1CCCN(C(C)=O)CC1 44968886 UIKRZZNVYXYQDL-UHFFFAOYSA-N 320.393 1.244 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)Cn1cnc2ccccc2c1=O 58342500 MHPCBSRBXAJGAS-INIZCTEOSA-N 323.396 1.889 0 40 DDAB COc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(N)=O 58439501 UUDAWKBERCCNLE-CQSZACIVSA-N 313.357 1.913 0 40 DDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1ccsc1)N(C)C 48231307 SILPXGMFZWCXIL-LBPRGKRZSA-N 305.469 1.525 0 40 DDAB CCOc1ncccc1C(=O)N1CCN(c2nccs2)CC1 11188376 HIPBCEHTYMCRFL-UHFFFAOYSA-N 318.402 1.899 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 45751263 WHGQKDHKEAZUMY-GFCCVEGCSA-N 302.330 1.299 0 40 DDAB COc1cc(OC)nc(NC(=O)COC(=O)C2CCCCC2)n1 3421738 CDOQKQQCBIJZAW-UHFFFAOYSA-N 323.349 1.556 0 40 DDAB Cc1ccc(C)c2c(C)c(C(=O)N3CCOC[C@@H]3C(N)=O)oc12 91781821 AHEIVFQQZGPIPM-GFCCVEGCSA-N 316.357 1.684 0 40 DDAB Cc1cc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)on1 69842500 LHPCJKWVYFUOHY-ZDUSSCGKSA-N 317.393 1.998 0 40 DDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCCC1 18179921 TWSZANRXYNDWOH-UHFFFAOYSA-N 316.405 1.133 0 40 DDAB Cc1noc(C)c1CNC(=O)NCC[S@](=O)c1ccccc1 69974463 YWMCJNXAIUPLHM-JOCHJYFZSA-N 321.402 1.898 0 40 DDAB Cc1cc(OCC(=O)Nc2nc[nH]n2)c2c(C)cc(=O)oc2c1 13624050 AMLARPBQLRSLGW-UHFFFAOYSA-N 314.301 1.545 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)cc1 22227461 XGSRKUHMZPIUMC-UHFFFAOYSA-N 322.361 1.332 0 40 DDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCOC1=O 8733902 WIDBALKORNWHNA-VIFPVBQESA-N 302.252 1.290 0 40 DDAB COC(=O)[C@H](C)NC(=O)N1CCN(/C=C/c2ccccc2)CC1 13770030 OHCWROFQFCTSFM-VFNNOXKTSA-N 317.389 1.546 0 40 DDAB CCCCc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)nc1 65423789 AKNBJGJXCMYCES-GXTWGEPZSA-N 306.362 1.474 0 40 DDAB Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(N)=O)cc1 4463848 KRDYUMRCDUIOFD-LLVKDONJSA-N 318.329 1.901 0 40 DDAB COc1ccc(C)cc1CC(=O)N(CC(N)=O)C1CCCC1 65522107 BORCJUQLNSCDIY-UHFFFAOYSA-N 304.390 1.803 0 40 DDAB COc1ccnc(N2CCN(C(=O)CCOCC(C)C)CC2)n1 65614959 UTKWYTPEKQVNNF-UHFFFAOYSA-N 322.409 1.197 0 40 DDAB COc1ccnc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 65608420 OHPJLVQBPIPZJA-JTQLQIEISA-N 304.354 1.060 0 40 DDAB NC(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 15498086 OIETUTUPUHCNHP-UHFFFAOYSA-N 311.297 1.332 0 40 DDAB O=C(CCCN1C(=O)CNC1=O)OCc1ccc(Cl)cc1 7354202 JUNIUUBUKLTYFQ-UHFFFAOYSA-N 310.737 1.715 0 40 DDAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]n2)c1C 8294805 MMBSWTYGBWWOHC-UHFFFAOYSA-N 314.345 1.097 0 40 DDAB COc1ccc(CNC(=O)CN[C@@H](C)Cn2cccn2)cc1 69390209 KRCYGOQTCZCMHK-ZDUSSCGKSA-N 302.378 1.186 0 40 DDAB C[C@]1(NC(=O)C/C=C/c2ccc(F)cc2)CCS(=O)(=O)C1 78985049 FXDHCZBFBMKXER-FAAWYNLUSA-N 311.378 1.922 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)C1 71831276 UOMCJLUMQJIYKK-JTQLQIEISA-N 317.374 1.544 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCN1c1nccs1 71896078 RPCKBTWPCHNSIX-OLZOCXBDSA-N 309.435 1.997 0 40 DDAB CN(CCN1C(=O)NC(C)(C)C1=O)C1Cc2ccccc2C1 71824829 QJHUUQPNQJOBPO-UHFFFAOYSA-N 301.390 1.416 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 71881100 NSQMSNVYUYOYRI-IAGOWNOFSA-N 319.449 1.204 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)CCc1ccco1)C2 71860193 DYERNBJXTCJODX-UHFFFAOYSA-N 300.362 1.653 0 40 DDAB Cc1ccc(CNC(=O)N(C)C[C@@H](C)O)c(N2CCCC2)n1 96500587 SCLNHOQHBHQBDI-CYBMUJFWSA-N 306.410 1.512 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N(C)[C@H](C)c1cccs1 71907756 CYXLJTFOFQSLPI-VXGBXAGGSA-N 310.419 1.905 0 40 DDAB O=C(c1ccccc1F)N1CCN(CCCn2cncn2)CC1 96795038 BHJRXBPOQOOKTL-UHFFFAOYSA-N 317.368 1.265 0 40 DDAB C[C@@H](CCc1cccc(F)c1)N1CCN([C@@H](C)C(N)=O)CC1 97084404 KMZXYNVIGVNEBZ-KBPBESRZSA-N 307.413 1.638 0 40 DDAB Cn1ccnc(NC(=O)c2ccccc2OC(F)(F)F)c1=O 97033580 JGLFCEKMZBUCEQ-UHFFFAOYSA-N 313.235 1.931 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](Cn2cncn2)C1 97048167 RQRQJHHAFZJQDS-GFCCVEGCSA-N 324.381 1.518 0 40 DDAB CCN1CCN(CCC(=O)N[C@@H]2CCc3ccccc32)CC1 72280450 BJGCWGLXRXYHRB-QGZVFWFLSA-N 301.434 1.818 0 40 DDAB C[C@@H](NCCn1cccn1)C(=O)NCCc1ccc(F)cc1 72267786 CHNBRARQPUDVLM-CYBMUJFWSA-N 304.369 1.359 0 40 DDAB O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 72286000 NKQIOAXMLBKGIJ-NEPJUHHUSA-N 317.349 1.595 0 40 DDAB COC[C@H](C)N1CCN(Cc2cccc(NC(C)=O)c2)CC1 79015665 UZZOARVRUIRKHP-AWEZNQCLSA-N 305.422 1.798 0 40 DDAB O=C(COc1ccc(F)cc1F)NCc1csc(=O)[nH]1 84344346 OHDOEWPCLIGNMV-UHFFFAOYSA-N 300.286 1.410 0 40 DDAB NC(=O)CN(CCC1CCCCC1)Cc1cc(=O)c(O)co1 84338719 PFZDMNLFNKHCEN-UHFFFAOYSA-N 308.378 1.603 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)c1cnc2[nH]nc(C)c2c1)C(=O)OC 84721481 PHORKGMGGRZONU-PELKAZGASA-N 304.350 1.584 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(-c3ccco3)n2)C1 95417893 BIKFBZFBBRZQEI-CYBMUJFWSA-N 316.361 1.270 0 40 DDAB Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2cnn(C)c2n1 95406936 RLKPFCNRBUADRB-HONMWMINSA-N 314.389 1.820 0 40 DDAB CC(=O)N(CCc1ccccc1)CC(=O)/N=c1/[nH]cc(C)[nH]1 95446601 OSRWEYMKIPMRLT-UHFFFAOYSA-N 300.362 1.170 0 40 DDAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)N1 95417624 XJAHEOBGHXPAOT-LSDHHAIUSA-N 322.380 1.622 0 40 DDAB O=C(NCCC1=CCOCC1)N[C@@H]1c2ccccc2C[C@@H]1O 95437048 RCTOZJPVNSCNQJ-JKSUJKDBSA-N 302.374 1.681 0 40 DDAB Cn1cc(N2CCC[C@H](NC(=O)c3ccc4[nH]cnc4c3)C2)cn1 98014565 AFWXITFWRWBNGA-ZDUSSCGKSA-N 324.388 1.695 0 40 DDAB O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1CCn1cncn1 95962826 NVXRUQQJQBQYOH-LBPRGKRZSA-N 302.309 1.035 0 40 DDAB CN1C[C@@H](C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC1=O 95954334 NLJCJISNKHOGER-GXTWGEPZSA-N 307.369 1.023 0 40 DDAB NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F 89091561 UUIQQXUGWKUBAG-KWQFWETISA-N 306.790 1.885 0 40 DDAB CCSC[C@@H](C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 85824100 UAVHHAHWCZRUSI-OLZOCXBDSA-N 308.513 1.731 0 40 DDAB NC(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2C2CC2)c1 74816160 VKBPZSFPDJYEQK-OAHLLOKOSA-N 317.389 1.635 0 40 DDAB CCCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)cc1)NC(=O)N2 9953978 BFJUZFYEEFAYNN-OAHLLOKOSA-N 315.373 1.946 0 40 DDAB COc1ncncc1NC(=O)N[C@H](C)CCc1cccn1C 89895783 LVIGDWFGRLJQBR-LLVKDONJSA-N 303.366 1.967 0 40 DDAB O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CC(O)C1 89857861 GOYBLXHYZPOKLM-UHFFFAOYSA-N 312.325 1.186 0 40 DDAB O=C(O)COc1ccc(S(=O)(=O)NC2CC2)cc1Cl 20134369 YHQJGAPALACZBU-UHFFFAOYSA-N 305.739 1.244 0 40 DDAB CN(C)c1nc2c(s1)CN(C(=O)c1ccn(C)c(=O)c1)CC2 1548798611 NCXZNFCRPZTTQV-UHFFFAOYSA-N 318.402 1.106 0 40 DDAB Cc1nc(C)c(C)c(N2CCN(c3ncc(F)cn3)CC2)n1 353266064 ITNXFSNQCCGVJA-UHFFFAOYSA-N 302.357 1.658 0 40 DDAB COc1ccccc1CNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409378725 QWFZPBWHBXQMLP-VMUDFCTBSA-N 317.341 1.356 0 40 DDAB COc1cc2nc(NN)n(CCC(C)C)c(=O)c2cc1OC 408712758 NZTFQCOXMVTMDE-UHFFFAOYSA-N 306.366 1.745 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 30018168 SBDWIGFJDOPJHU-UPJWGTAASA-N 307.394 1.460 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 72242204 OFKIUJJSDYUSKX-DZGCQCFKSA-N 308.353 1.498 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 79412686 BFDWAKAMFAYIKM-GXTWGEPZSA-N 305.378 1.251 0 40 DDAB CC(C)CNC(=O)c1cccc(Cn2cnnc2[S@@](C)=O)c1 78995968 ONHQIRDXJYZMCW-QFIPXVFZSA-N 320.418 1.450 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 72397187 HTAWPGRSPPKVGH-XBFCOCLRSA-N 324.384 1.804 0 40 DDAB Cc1cc(C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)on1 72394837 QXAVKLPKJAJZMC-CQSZACIVSA-N 315.373 1.948 0 40 DDAB C1CCN(CCCSc2nnnn2C2CCOCC2)CC1 187687604 ZVBGWJXMMIEDPC-UHFFFAOYSA-N 311.455 1.993 0 40 DDAB Cc1cc(CN)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222607 YHTZMUDYLNBJST-UHFFFAOYSA-N 306.410 1.906 0 40 DDAB O=C(NCc1ccccc1)c1cc(N2CCC[C@H](O)C2)ccn1 79002330 PHBBFYRMQVINOP-INIZCTEOSA-N 311.385 1.973 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)OCC)N1C(=O)OCC 71255774 LGQYQQMQUXJWSU-JTQLQIEISA-N 302.327 1.544 0 40 DDAB O=C(O)[C@H](CO)N1C(=O)/C(=C/c2cccs2)SC1=S 35648651 LQQFVIWZXPUQQQ-OJKBXMANSA-N 315.397 1.395 0 40 DDAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nc2ccccc2[nH]1 78418361 CGPZQXZXHWADAD-IAQYHMDHSA-N 314.389 1.855 0 40 DDAB OCCN1CCC(c2csc(Nc3cnccn3)n2)CC1 72363466 BNRGFLQJKVJPSF-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccno1 38592747 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CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCNC1 257325562 WTNFMWDDOQARGY-NSHDSACASA-N 318.446 1.665 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257218538 DDMPWBHSAWVGLP-AWEZNQCLSA-N 303.387 1.989 0 40 DDAB Cc1cc(C)n(CCCC(=O)N2CCOC[C@H]2c2ccn[nH]2)n1 257313704 UTSLWXBLEPPKQY-HNNXBMFYSA-N 317.393 1.603 0 40 DDAB CN(C(=O)CCCn1ccnc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257271539 MYSOTCDEIRKVOD-BFYDXBDKSA-N 320.437 1.109 0 40 DDAB COCc1ccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257257283 KOWQJJROSVYOHA-RDJZCZTQSA-N 305.374 1.589 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C1 257328378 XFJIFOXRCMNOBW-OAHLLOKOSA-N 314.788 1.547 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(Cc2ccc(F)cc2)C1 257309755 UCGREYLYOWQJGH-GFCCVEGCSA-N 323.393 1.942 0 40 DDAB CS(=O)(=O)NC(=O)c1ccc(COc2ccc(F)cc2)o1 42280562 HCLQQNWYNJDSDV-UHFFFAOYSA-N 313.306 1.687 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]21 257255337 KHBWWPNWGQBGOI-HZSPNIEDSA-N 324.388 1.254 0 40 DDAB O=C(Nc1cc(-n2cncn2)ncn1)c1ccc2nsnc2c1 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Cc1ncccc1C(=O)N1CCC(O)(Cn2ccnc2C)CC1 12221446 RMSDFWFMRTXHOR-UHFFFAOYSA-N 314.389 1.562 0 40 DDAB COCCNC(=O)Cn1c(C2CCNCC2)cc2cccnc21 12222517 MTEZHJVEEXOGDF-UHFFFAOYSA-N 316.405 1.266 0 40 DDAB CCC(=O)N[C@@H]1CCCc2nc(N3C[C@H](C)O[C@H](C)C3)ncc21 12241455 KIISGLPRGQSRPU-MBNYWOFBSA-N 318.421 1.994 0 40 DDAB CCCc1nc2n(n1)[C@H](C(=O)NCc1ccccc1)CC(=O)N2 17052404 GILHAPYQQBUHEE-LBPRGKRZSA-N 313.361 1.430 0 40 DDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)NC[C@@H]1CCCO1)CS2 14034884 XBDUGNLSKJGVLN-NEPJUHHUSA-N 323.418 1.192 0 40 DDAB CCCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231274 IXFRSFPZDKRGLR-UHFFFAOYSA-N 314.393 1.107 0 40 DDAB CCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]21 1014562637 XAIFRMXYMCVURD-JHJVBQTASA-N 304.394 1.485 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](NC(C)=O)C(C)C 12924514 JLJRKSMVYUOSSJ-HNNXBMFYSA-N 321.377 1.753 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[nH]2)cc1 24725948 BSEAHUZCQLKERK-GFCCVEGCSA-N 317.349 1.184 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)nc1 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C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](Oc2cnsn2)C1 618256140 DKVLJDAVFSRQSO-AAEUAGOBSA-N 319.386 1.985 0 40 DDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)OCC1CCC1 390829916 HLXMNMARJOXTIA-GFCCVEGCSA-N 316.365 1.229 0 40 DDAB C[C@@H]1CN(c2nc(C3CC3)ns2)CCN1Cc1cnn(C)c1 2298029637 SMAHYZXAXZDRKW-LLVKDONJSA-N 318.450 1.860 0 40 DDAB Cc1nccc(N2CCN(Cc3nccn3C(F)F)CC2)n1 96429275 HCAFSWCUVOOBAT-UHFFFAOYSA-N 308.336 1.699 0 40 DDAB Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)n1C 30310912 ROPQGHDBBCRNHA-UHFFFAOYSA-N 314.389 1.495 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)N1CCSCC1 40541963 ILAWFRADMPOXBJ-UHFFFAOYSA-N 306.387 1.950 0 40 DDAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl 40527163 JOAUJLANLOFOLL-SNVBAGLBSA-N 320.773 1.426 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COCc1ccccc1 40501849 SYCKHQMESYAULR-CYBMUJFWSA-N 316.313 1.674 0 40 DDAB C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCCC2)nc1 45844644 WTNHBQHCGFBWHO-CYBMUJFWSA-N 304.394 1.612 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CC(c2ccccc2)=NO1 69740058 HDGPAXOHUSBQFK-SMDDNHRTSA-N 324.402 1.119 0 40 DDAB CCCc1nnc(NC(=O)N[C@H](C)CN2CCOCC2)s1 45977112 GGWPTQFMBAEOQG-SNVBAGLBSA-N 313.427 1.333 0 40 DDAB Cc1ccc(-c2cc(C(=O)O)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11801575 PLNNWSWSDKVVIY-GFCCVEGCSA-N 320.370 1.916 0 40 DDAB Cc1nc2n(n1)C[C@@H](NC[C@@H](O)COCc1ccccc1)CC2 70020953 QVUWAGTUZIRFMB-JKSUJKDBSA-N 316.405 1.069 0 40 DDAB O=C(NCCN1CCCCCC1=O)c1cccc2cn[nH]c12 32309846 QXZMVTHRCMXVIF-UHFFFAOYSA-N 300.362 1.695 0 40 DDAB COc1ccc([C@@]2(OC)Oc3ccccc3C(=O)C2(O)O)cc1 1674546 MUWFMAGTDJWRSG-QGZVFWFLSA-N 316.309 1.451 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 3405884 TUHUYINZSVVBIF-UHFFFAOYSA-N 303.318 1.053 0 40 DDAB Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 4276486 SZZQJIZRFDUFPG-QMMMGPOBSA-N 314.432 1.126 0 40 DDAB CC(C)(C)OC(=O)N[C@H](CC(=O)OC1CCCC1)C(=O)O 6186806 KZNUOIDFRKKMRF-SNVBAGLBSA-N 301.339 1.840 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7928271 WLSYOGCFCXDPBH-VXGBXAGGSA-N 322.792 1.988 0 40 DDAB COc1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)c(OC)c1 69741409 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C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccn1 27950330 UMLQTEQMBFGBGJ-MRVPVSSYSA-N 300.771 1.508 0 40 DDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 3336836 UOCHLJUVFHCZEL-MRXNPFEDSA-N 301.346 1.076 0 40 DDAB Cc1cc(CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)on1 69328200 MHQJBLWNQUHPKA-UHFFFAOYSA-N 321.362 1.052 0 40 DDAB CCOc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCOCC2)cc1 48286763 WSRULADHSXWORL-KBPBESRZSA-N 306.406 1.983 0 40 DDAB COCCNC(=O)NC(=O)CSc1ncnc2ccccc12 3457276 UJEJVPMJCAJJGF-UHFFFAOYSA-N 320.374 1.194 0 40 DDAB O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccncc1 89963001 OJIBDRNPHUYGMQ-SJORKVTESA-N 311.385 1.447 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)C(=O)NCC(F)(F)F 89948645 ADPLCGBFTOTHFV-WCQGTBRESA-N 323.359 1.290 0 40 DDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1c(C)nn(C)c1Cl 48666305 BREWGDMRDAXVKQ-SECBINFHSA-N 322.862 1.391 0 40 DDAB CC[C@@H]1c2ccsc2CCN1C(=O)CCNS(C)(=O)=O 48734174 BDFMFBGOIHJBNZ-LLVKDONJSA-N 316.448 1.523 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2c(F)cccc2F)C[C@@H](C)O1 13098895 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O=C(OCCn1cncn1)c1cc(Cl)nc(N2CCCC2)c1 72281553 VPKDUXKJUMGVPJ-UHFFFAOYSA-N 321.768 1.784 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)sc1C 72297505 JBELXNDZFWDYML-QWHCGFSZSA-N 310.419 1.881 0 40 DDAB CCOCCC(=O)NC[C@](C)(NC(=O)CCOCC)C(C)C 72283926 APARAVUMUJCRNN-INIZCTEOSA-N 316.442 1.487 0 40 DDAB CCc1nc(C)ncc1C(=O)N1CCC[C@@H](n2cncn2)C1 72287887 CLMPKMRSQSNWDX-GFCCVEGCSA-N 300.366 1.416 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1F 72300567 GBTWDWOEOXYWDQ-FZMZJTMJSA-N 300.399 1.585 0 40 DDAB O=C(NCCc1ccncc1)[C@@H]1CCCN(c2ncccn2)C1 79488426 KYPIOYOPHDSJSY-OAHLLOKOSA-N 311.389 1.447 0 40 DDAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cnn2cccnc12 84614922 ZBSCRSULQBHOQF-CYBMUJFWSA-N 316.748 1.846 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)O)cc1 88376812 UWPUZEAYSXQUQR-CYBMUJFWSA-N 313.375 1.284 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N1CCOC[C@H]1C(=O)O 88373529 MTOFMOFACVSPPG-NSHDSACASA-N 313.737 1.203 0 40 DDAB CN(CC(=O)Nc1ccc2oc(=O)n(C)c2c1)[C@H]1CCSC1 95978465 BSHUYUBTESOXAE-NSHDSACASA-N 321.402 1.507 0 40 DDAB COC(=O)[C@@H](CNC(=O)CCCNC(=O)C1CC1)CC(C)C 75146352 XWIAZXFIGIUCFA-CYBMUJFWSA-N 312.410 1.244 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)(C)C 75141237 ZPZSLVXFAQDLTG-CYBMUJFWSA-N 301.346 1.947 0 40 DDAB Cc1cc(C)n2cc(CN3CCn4c(nnc4C4CC4)C3)nc2n1 75133541 QTIXJZURLSRDBN-UHFFFAOYSA-N 323.404 1.831 0 40 DDAB CCOCCCNC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236440 NMBWASZIQJWIDI-UHFFFAOYSA-N 306.337 1.834 0 40 DDAB CC(C)(C)[C@H](N)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 178415512 YKNZSWGQBVFDBR-OAHLLOKOSA-N 317.433 1.735 0 40 DDAB CC(C)CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408709434 SWDBTGZMHYENOO-UHFFFAOYSA-N 303.362 1.290 0 40 DDAB COc1cccc(/C=C2\SC(=O)N(CCN)C2=O)c1OC 36905231 HOWCPNDIPBYLKW-FLIBITNWSA-N 308.359 1.699 0 40 DDAB COCCCNC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 408999903 TWFOEDUJOVKPKT-AWEZNQCLSA-N 306.362 1.803 0 40 DDAB COCCN1C(=O)[C@@H](C(=O)O)[C@@H]2C[C@@]1(C)Oc1ccccc12 4511919 ANWDCYJXIAXLRD-PVXIVEMSSA-N 305.330 1.458 0 40 DDAB CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N 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1.855 0 40 DDAB O=S(=O)(NCCSc1ncn[nH]1)c1ccc(Cl)cc1 222985281 TYCUYHHDVGFIPF-UHFFFAOYSA-N 318.811 1.529 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)N1CCSCC1)O2 40778869 TWMJSJRXNYJQKM-HNNXBMFYSA-N 306.387 1.660 0 40 DDAB COc1ccccc1OCc1cn(CC(=O)NC(C)C)nn1 227160967 VQULENWZAQVLOM-UHFFFAOYSA-N 304.350 1.390 0 40 DDAB CCN1CCO[C@@H](C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)C1 81309235 AYXWVLTXULRNCP-CQSZACIVSA-N 315.377 1.439 0 40 DDAB O=C1NCCN(CCOCC(F)F)[C@H]1c1ccccc1F 225548068 JDZTXLYWLVMDSO-ZDUSSCGKSA-N 302.296 1.580 0 40 DDAB Cn1cnc(N2CCC(C(=O)Nc3ccccc3)CC2)cc1=O 574464466 JSOUFWXGEXFNGM-UHFFFAOYSA-N 312.373 1.635 0 40 DDAB C[C@@H](CNC1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 194382188 FTJAUVMEQIBTDM-HNNXBMFYSA-N 324.490 1.889 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NCc3nc(C)no3)CC2=O)cc1 44454120 GFUATVWTEKIGIN-GFCCVEGCSA-N 314.345 1.356 0 40 DDAB CC(C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccncc2)nn1C 46088995 KDPDXILIEMUZFZ-LLVKDONJSA-N 315.377 1.901 0 40 DDAB COc1ccccc1CNC(=O)Cn1ncc2c1c(C)nn2C 40714604 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CN(C)CCOCc1nnn2c1CN(Cc1ccco1)CCC2 96058819 LAZXZNFPLAJPIM-UHFFFAOYSA-N 319.409 1.355 0 40 DDAB COc1ccc(CN2Cc3[nH]nc(C(=O)N(C)C)c3C2)cc1 96089085 AYKALTLKVGDFNK-UHFFFAOYSA-N 300.362 1.636 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)N1 96414601 KQTIYWFNZPICFU-OCCSQVGLSA-N 318.348 1.526 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H](C)N1CCc2ccccc2C1 96412341 IHHARVKADAHWPU-OLZOCXBDSA-N 304.390 1.501 0 40 DDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(c3ncccn3)CC2)O1 96061184 AIHRWFJDJICBLR-CQSZACIVSA-N 316.405 1.521 0 40 DDAB CN(C)C(=O)N1CC[C@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1 96241233 YPTLUKGMJJSZSU-BBRMVZONSA-N 323.368 1.837 0 40 DDAB O=C1NC2(CCN(C(=O)c3ccc[nH]3)CC2)C[C@@H]1c1ccncc1 96199565 BZRVGVZIHHTBMI-CQSZACIVSA-N 324.384 1.688 0 40 DDAB O=C1C[C@@]2(CCN(C(=O)c3cnccn3)C2)Oc2ccccc21 96367171 NLJRDWRBWLCLCA-QGZVFWFLSA-N 309.325 1.727 0 40 DDAB Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2)n(-c2ccccc2)n1 97234218 XOVMBTYSMCHMHG-DYVFJYSZSA-N 312.417 1.980 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1ccc(C)cc1 257309711 UCBSTIORAVFSPM-ZBFHGGJFSA-N 304.390 1.403 0 40 DDAB CN(C)c1cncc([C@@H]2CCCN2C(=O)Cc2ccncc2)n1 257227359 FOXXYAAYXPDGDK-HNNXBMFYSA-N 311.389 1.844 0 40 DDAB COC(=O)c1cn([C@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)nn1 253430431 KYTNBOUAERAQMJ-QWHCGFSZSA-N 322.409 1.659 0 40 DDAB COc1ccc(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)cn1 257261696 LILCYHZRYNQJBC-ZDUSSCGKSA-N 316.361 1.346 0 40 DDAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cncnc2)n1 257200068 ABWWMFNALJGYFM-KRWDZBQOSA-N 311.389 1.845 0 40 DDAB O=C(Cc1ccsc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257258574 KUPZJBBSAYKGOR-KBPBESRZSA-N 305.403 1.712 0 40 DDAB CCn1cnnc1[C@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 264765274 NIHZOLWKUCPKJL-STQMWFEESA-N 302.382 1.462 0 40 DDAB O=C1CCCN1CCN1CCCN(Cc2ccc(F)cc2)CC1 298686362 BDGATNIKLWYYOI-UHFFFAOYSA-N 319.424 1.956 0 40 DDAB COC(=O)N1CCc2ccc(NC(=O)N3CCNC3=O)cc2C1 96103690 AONOWFIVFKBENX-UHFFFAOYSA-N 318.333 1.368 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@@H]12 585108998 LUOKLQDDNPBEPZ-KFWWJZLASA-N 320.364 1.580 0 40 DDAB COCC(=O)NC[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O 585286554 KWHGEXSOAVOAMU-FRFSOERESA-N 307.390 1.666 0 40 DDAB Cn1cc(CN2CC[C@](O)(COc3ccc(F)cc3)C2)cn1 585268870 BWXFFSPDGAJDGA-MRXNPFEDSA-N 305.353 1.575 0 40 DDAB O=C(CN1CCOc2cc(F)c(F)cc21)NC[C@@H]1CCCO1 585140407 DHCQRPWYGJOZGS-JTQLQIEISA-N 312.316 1.459 0 40 DDAB CN1CC[C@@]2(CN(C(=O)Cc3ccccn3)CC(F)(F)C2)C1=O 585093464 XZZXJULAUXHYQI-OAHLLOKOSA-N 323.343 1.340 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 44888930 MYDLJBBAZZTQCW-QWHCGFSZSA-N 312.410 1.929 0 40 DDAB CN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1=O 69328305 IPZFKBOYZVAVCE-GXTWGEPZSA-N 322.792 1.718 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 69531703 NDGKPSUVTGIKSA-IINYFYTJSA-N 307.346 1.775 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(C(N)=O)c(F)c1 69709746 URDZJMNEWIDYIQ-MRVPVSSYSA-N 319.292 1.275 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1ncn(-c2ccccc2)n1 11476236 MVFOKCJWCDKRQF-VIFPVBQESA-N 305.363 1.204 0 40 DDAB COC(=O)[C@@H]1CCC(=O)N1CN(C(C)=O)c1ccccc1Cl 5602039 KNXINTKZSLUNCY-ZDUSSCGKSA-N 324.764 1.814 0 40 DDAB CCOc1cccc2cc(C(=O)NCCCOC)c(=O)oc12 11565692 JIYLUXQSJSRPEH-UHFFFAOYSA-N 305.330 1.958 0 40 DDAB COc1cc(C(=O)/N=c2\sccn2C)cc(OC)c1OC 12319663 VAYDZMRSZAGWGK-PFONDFGASA-N 308.359 1.854 0 40 DDAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O 12530240 BDYHZPNFESVBDI-HNNXBMFYSA-N 313.357 1.378 0 40 DDAB biogenic,in-vitro O=C(Nc1nn2cnnc2s1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 12632581 HRZFXGAHZGJGOC-QUJNKJAPSA-N 319.390 1.456 0 40 DDAB CCOCCCNc1ccc(S(=O)(=O)NC)cc1C(=O)O 13277117 WKCQGAMCZDCOKG-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 18285164 FJVQRFUUMWYCNY-CRWXNKLISA-N 313.309 1.306 0 40 DDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cc(C)on3)C2)n1 390826962 DDHQQURSUNZOMQ-GFCCVEGCSA-N 302.334 1.683 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nccc3sccc23)CCO1 1889089339 WHJVERHHWCMHJR-GFCCVEGCSA-N 303.387 1.780 0 40 DDAB Cc1cnccc1O[C@@H]1CCN(c2ccc3nnc(C)n3n2)C1 1889138938 WSPMTIJRUXYHPB-CYBMUJFWSA-N 310.361 1.794 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 2037724440 MHJXQZNXXXIULT-CQSZACIVSA-N 315.377 1.241 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3cc(C4CC4)ncn3)C2)nc1 2087127698 VKJRBBCOUSFWSG-GFCCVEGCSA-N 313.361 1.810 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055715748 GDKGPAZMNODFND-LLVKDONJSA-N 304.394 1.252 0 40 DDAB O=C(NCCCn1ncccc1=O)Nc1ccc2c(c1)OCO2 23137404 GYCZXIYUELQVBT-UHFFFAOYSA-N 316.317 1.184 0 40 DDAB O=C(c1ccoc1)N1CCC(n2cnc3ncccc3c2=O)CC1 575618334 VCUGNCZXQGCFAT-UHFFFAOYSA-N 324.340 1.862 0 40 DDAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)c1cccs1)c1ccccc1 75156014 RAWVMWACKZJZKL-DGCLKSJQSA-N 318.398 1.775 0 40 DDAB Cc1cc(S(=O)(=O)N2CC[C@@H](CN)C2)ccc1OC(C)C 50246443 LYGPCSRJTZLLOM-ZDUSSCGKSA-N 312.435 1.752 0 40 DDAB C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)n1cncn1 40496380 UGCAZDQGKKGVDE-KGLIPLIRSA-N 317.393 1.776 0 40 DDAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1nncn1C 40497608 DLYSZCWYALCNMY-UHFFFAOYSA-N 302.378 1.942 0 40 DDAB CCN(CC)C(=O)N1CCN(Cc2nc(C(C)C)no2)CC1 40513730 CDICPLMVNUMNDJ-UHFFFAOYSA-N 309.414 1.772 0 40 DDAB COc1ccc2c(ccn2CC(=O)N2CCN(C(C)=O)CC2)c1 32105336 CCKPPHOIUXIWLY-UHFFFAOYSA-N 315.373 1.341 0 40 DDAB COc1ccc2c(c1)cc(C)c1nnc(SCC(N)=O)n12 415680 LGFCJOVSMFUVJA-UHFFFAOYSA-N 302.359 1.777 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 69771696 HGCUGXDLHBKWSH-OAHLLOKOSA-N 320.458 1.619 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nnc2ccccc2c1=O 2646731 YVFFSHWRWYWRGN-WCQYABFASA-N 300.362 1.486 0 40 DDAB CCCOC[C@@H](O)COc1ccccc1C(=O)N1CCOCC1 2268476 YMNRDJGPSTXZPY-CQSZACIVSA-N 323.389 1.325 0 40 DDAB C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3cccc(O)c3)[C@@H]21 4027574 OYYQTTDHEHANDY-NZBQSGDWSA-N 304.350 1.074 0 40 DDAB biogenic CCNS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 21309347 WRCDONZOWOJYAK-UHFFFAOYSA-N 306.347 1.027 0 40 DDAB COc1ccnc(N2CCC(C(=O)Nc3cnccn3)CC2)n1 52470456 BCWNFTPNGBDRRL-UHFFFAOYSA-N 314.349 1.130 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 101139460 FCUNYDGWNHWKIE-AAXDQBDMSA-N 301.298 1.846 0 40 DDAB Cc1cccc(OCCCNC(=O)c2ccc(=O)n(C)n2)c1 21840992 HXJCEXHUPMQHEA-UHFFFAOYSA-N 301.346 1.288 0 40 DDAB O=C(O)[C@@H]1[C@@H]2c3ccccc3[C@@H](O)[C@]1(C(=O)O)c1ccccc12 103976559 FITUJGMJDXXJQY-FSZRXZPDSA-N 310.305 1.902 0 40 DDAB CCOC(=O)c1cc(O)n(-c2ccc(S(=O)(=O)O)cc2)n1 22633028 SLIRKONJUJKOBN-UHFFFAOYSA-N 312.303 1.001 0 40 DDAB CN(C)Cc1ccccc1CNS(=O)(=O)N1CCCCC1 22843464 KPQOPDBXBWAEAX-UHFFFAOYSA-N 311.451 1.569 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCO2)cc1 47580194 LSIQRYOEWAZPFD-LBPRGKRZSA-N 312.391 1.068 0 40 DDAB CC(=O)NCCC(=O)O[C@H](C)C(=O)N(C)Cc1ccccc1 23077986 GJCBQJIXCSRLAW-GFCCVEGCSA-N 306.362 1.103 0 40 DDAB O=C(CCn1cncn1)N1CCN(c2ccc(F)cc2)CC1 12544162 VZNXPDTYHGAQIK-UHFFFAOYSA-N 303.341 1.156 0 40 DDAB COc1ccccc1N1CCN(CC(=O)Nc2ccon2)CC1 12543939 MKPCJVVMOBUKIN-UHFFFAOYSA-N 316.361 1.444 0 40 DDAB CCn1cc(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)cn1 55083813 ZSDKHEKKHUHYMN-LBPRGKRZSA-N 315.377 1.729 0 40 DDAB O=C(NCCNC(=O)C1CC1)c1sccc1Br 47921580 DBRZAEADQYCODW-UHFFFAOYSA-N 317.208 1.767 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CCN2c1nncs1 108524231 DVKCCTKHCIEDCN-STQMWFEESA-N 305.407 1.996 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 44456954 VDVKVNNTKNRMKU-LBPRGKRZSA-N 317.432 1.016 0 40 DDAB CCCNC(=O)COC(=O)/C=C/c1cc(OC)ccc1OC 3364279 NEDIYRKGIMGGPE-VMPITWQZSA-N 307.346 1.786 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccoc2)CC1 27584676 NRIQQIVOOBXSLY-OAHLLOKOSA-N 313.357 1.264 0 40 DDAB COc1cc(C(=O)N[C@H](C)c2nc(C)no2)cc(OC)c1OC 58264293 ADAZCQMAMSFVNN-MRVPVSSYSA-N 321.333 1.895 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnn(C)c1 44937121 RBRGNJVIPZRSJO-UHFFFAOYSA-N 323.374 1.012 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)c1 44936291 HCWGULASDONSPY-ZJUUUORDSA-N 315.391 1.314 0 40 DDAB Cn1ccs/c1=N\C(=O)CNC(=O)NCc1ccccc1 58365457 LIYJWHSXXHKHNU-VKAVYKQESA-N 304.375 1.013 0 40 DDAB CCN(c1ccc(C(=O)NCCN2CCOCC2)cc1)C(C)C 58342258 WEKFOWGVTPJBQP-UHFFFAOYSA-N 319.449 1.983 0 40 DDAB COCCOc1ncccc1C(=O)N(C)CCc1ccncc1 58407278 TTWOYQWNNZLGTN-UHFFFAOYSA-N 315.373 1.817 0 40 DDAB CCCCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 29080687 NVGFGLRFUFOGCM-UHFFFAOYSA-N 302.382 1.202 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 13260535 QBLFPYGLLAYREU-CYBMUJFWSA-N 316.357 1.750 0 40 DDAB CCn1cc(CN2CCCN(C(=O)CCSC)CC2)cn1 69585695 JLNZQXSCCIHSFQ-UHFFFAOYSA-N 310.467 1.690 0 40 DDAB CCCCn1nnnc1CN1CCCC[C@@H]1Cn1cncn1 69513967 YOYSMIQHLQEMKU-CYBMUJFWSA-N 304.402 1.119 0 40 DDAB COc1ccc(-c2nc(CNc3nccc(OC)n3)n[nH]2)cc1 69558053 LIBYJTYZZNCSTM-UHFFFAOYSA-N 312.333 1.891 0 40 DDAB COc1cccc(CNC[C@H]2CN(C3CC3)CCO2)c1OC 69590283 HFMCJNNFYNLPGM-HNNXBMFYSA-N 306.406 1.657 0 40 DDAB NC(=O)NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 17288400 VJLWEFXKTOOXSG-SNVBAGLBSA-N 304.375 1.628 0 40 DDAB Cn1cccc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69660080 FMFLDEUPHWGPBT-KRWDZBQOSA-N 313.401 1.517 0 40 DDAB CC[C@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC 69928441 JTUFEKFVJMGWDF-KRWDZBQOSA-N 311.470 1.288 0 40 DDAB CC(=O)N1CCCN(Cc2cn3c(C)cc(C)nc3n2)CC1 65459089 ZHZJUDPVVNOYSF-UHFFFAOYSA-N 301.394 1.400 0 40 DDAB COC[C@H](C)NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 65412590 CXCRLHAOVFIVRV-LBPRGKRZSA-N 317.393 1.718 0 40 DDAB COCC(=O)Nc1cccc(NC(=O)CCN2CCCC2=O)c1 65551264 JBXSORWIZGXAMQ-UHFFFAOYSA-N 319.361 1.223 0 40 DDAB COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2ccoc2)nn1 66538697 HDRHRQUVMURTCW-QWHCGFSZSA-N 319.317 1.998 0 40 DDAB COc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1 20732355 CSXOYLBBNRHULF-UHFFFAOYSA-N 306.343 1.562 0 40 DDAB COC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1O 66635754 CDBZZISREWUDNH-SECBINFHSA-N 318.329 1.128 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1 5817129 VDPZDRBXCKEVJM-UONOGXRCSA-N 304.346 1.330 0 40 DDAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 67124923 NXFPDUCWJKZUJY-UHFFFAOYSA-N 308.334 1.921 0 40 DDAB CCCNC(=O)[C@H](C)SCCN1C(=O)c2ccccc2C1=O 15490427 QSEVCNVLZFPTKW-NSHDSACASA-N 320.414 1.931 0 40 DDAB O=S1(=O)CCC[C@H]1CN[C@H](Cc1ccncc1)C(F)(F)F 90468266 IOHAXZNSFTVSMJ-NWDGAFQWSA-N 322.352 1.722 0 40 DDAB Nc1nc(N)nc(CS[C@@H]2CCN(c3ccccc3)C2=O)n1 68952233 AIXONODUVZVNTG-SNVBAGLBSA-N 316.390 1.075 0 40 DDAB COc1cncc(N2CCN(Cc3scnc3C)CC2)n1 93477513 APQGUFPGYSZMHU-UHFFFAOYSA-N 305.407 1.572 0 40 DDAB Cc1ccc(N2C[C@@H](/C(O)=N/S(C)(=O)=O)CCC2=O)cc1C 89963982 YVYDLNLTUOOLBR-LBPRGKRZSA-N 324.402 1.963 0 40 DDAB O=C(CCc1ccccc1)NCc1nc2c(c(=O)[nH]1)COCC2 96283600 AKWNEGUKMSUYPH-UHFFFAOYSA-N 313.357 1.092 0 40 DDAB COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)Cc1c(F)cccc1F 87378307 UILITLNWVJDDNA-CYBMUJFWSA-N 323.299 1.131 0 40 DDAB CCC(CC)c1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)on1 96422364 RCWPGUMKZDMUJL-VIFPVBQESA-N 302.396 1.741 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 96426672 LXRTVCXMPIKUNO-FXUDXRNXSA-N 322.449 1.909 0 40 DDAB CCCn1c(C)nnc1CSc1nc2c(c(=O)[nH]1)CCC2 96494674 LCBKIFIIGLTJNT-UHFFFAOYSA-N 305.407 1.861 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1c(C)nn(C)c1C)C2 72278953 VUGXICJQDZGKKO-ZDUSSCGKSA-N 301.394 1.216 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cn3cccnc3n2)c1 71865932 OVCFOVXOZOLRHH-AWEZNQCLSA-N 324.388 1.929 0 40 DDAB COc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 71806896 KJXPQCTXMJSPHZ-JTQLQIEISA-N 317.794 1.608 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1 71837437 WIFSYTSZNMBRKM-CQSZACIVSA-N 310.442 1.014 0 40 DDAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1nccn2ccnc12 71921183 PIMZILNSGDJUFH-UHFFFAOYSA-N 309.289 1.037 0 40 DDAB CC(C)c1cc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n[nH]1 71969899 GZUDDQSIGGLGEE-UHFFFAOYSA-N 322.390 1.111 0 40 DDAB Cc1cnc(CN(C)[C@H]2CCCN(Cc3noc(C)n3)C2)cn1 72234584 QPLSHEPQGAJCOG-HNNXBMFYSA-N 316.409 1.573 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnnn1C1CC1 72268626 QLDZNIXKWQJTEO-ZIAGYGMSSA-N 318.425 1.373 0 40 DDAB Cc1ccc(SCCNC(=O)CN2CSCC2=O)cc1 9721910 FJOXQRIGSOXGLG-UHFFFAOYSA-N 310.444 1.736 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1CCc3nccn3C1)C2 72298524 MYFNZTSUQROHRM-HOCLYGCPSA-N 311.385 1.935 0 40 DDAB CCCn1cc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cn1 72300564 NQVBTBJAEXONHD-GXTWGEPZSA-N 314.455 1.053 0 40 DDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)COC 75612721 UYWWCPIMQVCWBD-LBPRGKRZSA-N 307.394 1.940 0 40 DDAB O=C(CN1CCCC1=O)NC1CCN(Cc2ccccc2)CC1 75876658 XDMWVQOOJQUAMC-UHFFFAOYSA-N 315.417 1.390 0 40 DDAB CC[C@@H](NC(=O)NCCS(C)(=O)=O)c1cc(F)ccc1F 76019941 SFIAPOXVESCIFZ-GFCCVEGCSA-N 320.361 1.760 0 40 DDAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCO1 76066770 LOXAAOPWZUXMAO-HNNXBMFYSA-N 303.337 1.849 0 40 DDAB COCc1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c(C)o1 76054789 KKBPCJRGSJGJMS-MLGOLLRUSA-N 322.405 1.527 0 40 DDAB CCN(CC)[C@H](CNC(=O)CN1CCC[C@@H]1CO)c1ccco1 84771090 JRSVKBWTWALCJO-HUUCEWRRSA-N 323.437 1.235 0 40 DDAB CNS(=O)(=O)c1ccc([C@@H](C)NCCc2ccccn2)cc1 95419167 IADQBFBMKBWNAB-CYBMUJFWSA-N 319.430 1.883 0 40 DDAB COC[C@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)CCO1 73972800 JPMNWOYRSHDHLV-SNVBAGLBSA-N 308.359 1.978 0 40 DDAB CCN(C(=O)NCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 95955193 JFWXLOAJSUBPEJ-LLVKDONJSA-N 315.395 1.010 0 40 DDAB O=C(Nc1cc(CCc2ccccc2)ccn1)c1n[nH]c(O)n1 79023050 AKSTYBCJPOLMPQ-UHFFFAOYSA-N 309.329 1.943 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H](c1nccs1)C1CC1 79005173 UOXPBAHLXRVFEB-GWCFXTLKSA-N 320.418 1.657 0 40 DDAB Cc1cccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 85879499 IWHVAOZUYLCYCP-CYBMUJFWSA-N 324.340 1.469 0 40 DDAB biogenic CCc1n[nH]c([C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 89289852 JHJBRLTZGCTQGV-JTQLQIEISA-N 304.354 1.201 0 40 DDAB COCCNc1cc(S(=O)(=O)NC2CC2)ccc1OC 75093231 QPMLHSKUPJOJBR-UHFFFAOYSA-N 300.380 1.194 0 40 DDAB COCCN1CCC(CNC(=O)c2c(C)nn(C)c2C)CC1 89505633 XKOCVSGUBCGHSM-UHFFFAOYSA-N 308.426 1.125 0 40 DDAB Cc1cc(C)n(-c2cncc(N3CCN4CCCC[C@@H]4C3)n2)n1 89595887 RTLBRVCNNODPOX-OAHLLOKOSA-N 312.421 1.954 0 40 DDAB CC(C)CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 75139571 ROPPPMODEYREJV-UHFFFAOYSA-N 310.419 1.872 0 40 DDAB Cc1cc(C(=O)NCC2(O)CCOCC2)nn1-c1ccccc1 75229275 JFPIATWNZHZGFZ-UHFFFAOYSA-N 315.373 1.452 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCSCC1 79486882 BYBBBYSFRBAGKJ-UHFFFAOYSA-N 309.439 1.589 0 40 DDAB Cc1cc(C)c2[nH]c(=O)c(CNCCN3CCOCC3)cc2c1 22921251 GRNYTJRTCABBBU-UHFFFAOYSA-N 315.417 1.567 0 40 DDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1CCCO1 30870421 NNYPBKKBWYPBGL-BXUZGUMPSA-N 311.403 1.789 0 40 DDAB Cn1ccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n1 32902520 BUCFBTKAQVRKNQ-UHFFFAOYSA-N 300.318 1.322 0 40 DDAB CC(C)c1ccc2c(c1)=C(NNc1ccc(C(=O)O)cc1)C(=O)N=2 38364816 IFGIDQXUDRCNAY-UHFFFAOYSA-N 323.352 1.393 0 40 DDAB O=C1c2ccccc2C(=O)N1CC[C@@H]1N=C2C=CC=CN2[C@@H]1O 70503681 YDWFFOGAZHMTKE-SUMWQHHRSA-N 309.325 1.157 0 40 DDAB CCOc1ccccc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 137102771 NOHBWARAZIUZQW-ZYHUDNBSSA-N 312.416 1.739 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1cnn(C)c1)O2 40779360 GSQFAFVOPWOHBS-OAHLLOKOSA-N 300.318 1.457 0 40 DDAB CC(C)CC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224357759 BSXTXZSKEJDBDU-UHFFFAOYSA-N 307.398 1.364 0 40 DDAB O=C(c1ccncc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783645 OXIPHIOTGOKGKS-UHFFFAOYSA-N 324.315 1.427 0 40 DDAB O=C1CCN(CCOc2ccc(OC(F)(F)F)cc2)CCN1 80628257 ZGNIYHMUKOYXAS-UHFFFAOYSA-N 318.295 1.786 0 40 DDAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CCCOC1 88237099 QZHVFJWLAKLNQG-GXFFZTMASA-N 324.327 1.613 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 75162092 BNLWGAFIQFEAKP-UHFFFAOYSA-N 310.354 1.791 0 40 DDAB CCOC(=O)c1cccc(N2C[C@H](C(=O)OCC)CC2=O)c1 45953150 YLHLJCNTMJCKEH-GFCCVEGCSA-N 305.330 1.779 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 195543482 CYUQJCKGOSBDPD-OUCADQQQSA-N 312.435 1.214 0 40 DDAB Cc1nc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)no1 96491110 IIGWJZRCGLYIMF-SNVBAGLBSA-N 324.406 1.479 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96161665 LZRLBDBADWQVFN-PHIMTYICSA-N 320.443 1.804 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1Cc1cccnc1 96201278 MYWUEZUJHBTCGR-CYBMUJFWSA-N 309.377 1.495 0 40 DDAB CC[C@@H](C)OCC(=O)Nc1cn(C)cc(Br)c1=O 96500842 APLIGDIHRFQLQI-MRVPVSSYSA-N 317.183 1.901 0 40 DDAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](C)O 96520190 XWSPONVRIRZGOA-RFZPGFLSSA-N 312.556 1.130 0 40 DDAB CC(=O)N1CCOC[C@]2(CCCN(Cc3cccc(C)n3)C2)C1 96229345 FXNOPEQHPAMQQS-SFHVURJKSA-N 317.433 1.851 0 40 DDAB CN(C)C(=O)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96055172 LCXOYLPSDDUZAB-HZPDHXFCSA-N 318.421 1.286 0 40 DDAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)COc1ccccc1)C2 96216271 NWRFJAFOYDJREE-CRAIPNDOSA-N 318.417 1.492 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181917 VHYGEAPVQHOJJW-GOEBONIOSA-N 322.380 1.888 0 40 DDAB COc1cccc(S(=O)(=O)N2CCc3ncncc3C2)c1 96122854 ATFRRJHBBAOIND-UHFFFAOYSA-N 305.359 1.232 0 40 DDAB CN(C)CC(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109376 NPXRWTOHDDVCOC-PBHICJAKSA-N 303.406 1.651 0 40 DDAB Cc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)nc1 96093326 CKMMCRFKHZFKJD-CJNGLKHVSA-N 304.394 1.249 0 40 DDAB Cn1nccc1C(=O)N1CC2(C[C@H](OCC3CC3)CCO2)C1 248061778 UYMQFFLYQPINQC-CYBMUJFWSA-N 305.378 1.220 0 40 DDAB c1ccc(COC[C@H]2CCOC23CN(C2CCOCC2)C3)nc1 247883046 QUZLIOZRBOEPMP-OAHLLOKOSA-N 318.417 1.868 0 40 DDAB c1ccc(COC[C@@H]2CCOC23CN(C2CCOCC2)C3)nc1 247883045 QUZLIOZRBOEPMP-HNNXBMFYSA-N 318.417 1.868 0 40 DDAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 247730634 HESSGUMAGVLNDK-WCFLWFBJSA-N 313.806 1.747 0 40 DDAB COc1ncc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1 257332333 XWUSEBHMHCMWKF-HUUCEWRRSA-N 319.336 1.248 0 40 DDAB CCOC[C@]1(CN)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC 252514461 CNDNXYYGASASDE-RBSFLKMASA-N 315.410 1.708 0 40 DDAB C[C@]1(c2ncc(CNC(=O)Cn3ccnc3)cn2)CCCCO1 257231395 GGNCNUNQUUEHCW-MRXNPFEDSA-N 315.377 1.405 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)n1 257218528 DDLKWKJNCQOQBN-ZDUSSCGKSA-N 301.350 1.071 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2CC2CCOCC2)n1 257327418 XBGDLMFUORORNB-MRXNPFEDSA-N 318.421 1.676 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ocnc1C 257257310 KOZWLNILVMKPRJ-CYBMUJFWSA-N 316.361 1.555 0 40 DDAB CO[C@H]1CN(C(=O)CCc2ccnn2C)CC[C@@]12CCCO2 257286527 PLXJNMKTYTWCPV-HOCLYGCPSA-N 307.394 1.149 0 40 DDAB CC1(C)[C@H](NCCS(=O)(=O)NCC2CCC2)[C@@H]2CCO[C@H]21 253369400 CCMNLGNBYDHHHM-BFHYXJOUSA-N 316.467 1.109 0 40 DDAB CCN1CCN(c2nn(-c3ccc(C)cc3)nc2C(=O)O)CC1 256047605 NIOFBHXLGUNSQE-UHFFFAOYSA-N 315.377 1.416 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H]1c1ccn[nH]1)n1nnnc1C(C)(C)C 287078912 NEYFSHFFYGAZKE-ZYHUDNBSSA-N 317.397 1.618 0 40 DDAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccccn1 90612482 SYGUBVWJGJGKIW-ZDUSSCGKSA-N 300.314 1.664 0 40 DDAB CC(C)C(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575404224 MEVMAVRLMOIITK-AWEZNQCLSA-N 324.421 1.041 0 40 DDAB Cc1cc(CN2CCN(C(=O)NCc3cccnc3)CC2)on1 44889559 DOULHJRJGKQYHT-UHFFFAOYSA-N 315.377 1.405 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCNS(C)(=O)=O)o1 44024914 PGIOBRKZRXRZLD-ZYHUDNBSSA-N 314.407 1.001 0 40 DDAB CN(Cc1ccccc1)C(=O)CNC(=N)NCc1ccccc1 58064504 LXSHNCJPGYJFAN-UHFFFAOYSA-N 310.401 1.959 0 40 DDAB O=C(Nc1cn[nH]c1)N1CCN(CCOc2ccccc2)CC1 57029217 OAFKGORBYWNYJM-UHFFFAOYSA-N 315.377 1.638 0 40 DDAB NC(=O)C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 57136900 MCJGLAKBYQBTTL-MRXNPFEDSA-N 315.417 1.375 0 40 DDAB O=C(COCC(F)(F)F)Nc1cccnc1N1CCOCC1 65825683 VIMHDPBCLMOHEU-UHFFFAOYSA-N 319.283 1.436 0 40 DDAB CCC1(CC)CC(=O)N(C[C@H](O)CN2CCC(C)CC2)C1=O 66482886 VQUQWSKUPUJQCP-CQSZACIVSA-N 310.438 1.645 0 40 DDAB CCc1nc(CN2CCCN(C(=O)[C@H]3CCOC3)CC2)cs1 69896370 ARLIICMGWZHWKF-ZDUSSCGKSA-N 323.462 1.776 0 40 DDAB C[C@H](C(=O)NCC1CCCCC1)N1CCO[C@H](CN(C)C)C1 69846247 KNKXESBZFYPCNI-GDBMZVCRSA-N 311.470 1.334 0 40 DDAB C[C@@H]1CN(Cc2nccn2C)CCN1C[C@H](O)c1ccccc1 70008510 MBCIVUBMTPEMLS-WBVHZDCISA-N 314.433 1.660 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCN1c1nccs1 72278858 JWMHGVGOASFBIM-VXGBXAGGSA-N 317.418 1.440 0 40 DDAB COc1ncc(CN2CCO[C@H](c3ccc(C)cn3)C2)cn1 72386216 QTRYJRBIQNRZML-HNNXBMFYSA-N 300.362 1.762 0 40 DDAB Cc1cccc(CC(=O)N[C@H]2CCN(C3CCOCC3)C2)c1 1565520496 VSHGYSQVPRCXJI-INIZCTEOSA-N 302.418 1.907 0 40 DDAB CN1CCC[C@H](C(=O)N2CCC(Oc3ccccn3)CC2)C1 90607474 GUEMQTPLJMENQS-AWEZNQCLSA-N 303.406 1.793 0 40 DDAB CC(=O)O[C@@H]1CC(C)=C[C@H]2O[C@H]3O[C@@]14[C@@H](CC4(C)C)[C@H]3[C@@H]2O 1772591243 NSNOIYSVLPRWIS-AQYNREQDSA-N 308.374 1.785 0 40 DDAB CCc1nn(CCC(N)=O)c(=O)c2cc3sc(C)cc3n12 12115410 VAIXSHWOXRDZCN-UHFFFAOYSA-N 304.375 1.457 0 40 DDAB Cc1nc(C[S@](=O)c2ccccc2)cc(N2CCOCC2)n1 5423359 YVUDUIARHVBSIP-JOCHJYFZSA-N 317.414 1.929 0 40 DDAB O=C(NCCn1ncccc1=O)c1cccc(C(F)(F)F)c1 11856254 WPQRWDKUFANQKU-UHFFFAOYSA-N 311.263 1.692 0 40 DDAB O=C(CCn1cncn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12221910 MIOWTTZPQUOWBO-AWEZNQCLSA-N 310.361 1.908 0 40 DDAB CN1[C@H](Cc2cccnc2)[C@@H](O)c2ccccc2S1(=O)=O 13654857 SCQFIVOFMZXZDC-HIFRSBDPSA-N 304.371 1.360 0 40 DDAB O=S(=O)(NCc1ccc2c(c1)OCCO2)c1cccs1 16085912 SAUNLGOOJHDPPC-UHFFFAOYSA-N 311.384 1.998 0 40 DDAB O=C1C=C[C@@H]2C=C(S(=O)(=O)NC3CCCCC3)C=C[C@@H]2O1 19942727 UJRCFNUNXBCKQU-RISCZKNCSA-N 309.387 1.790 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)n1 225403426 XYKRSLCOLQMSEZ-KBPBESRZSA-N 316.405 1.879 0 40 DDAB CC[C@H](OC[C@@H](O)CN1CCN(CCO)CC1)c1ccccc1 22465837 WONTZVDBJAIKFS-ROUUACIJSA-N 322.449 1.125 0 40 DDAB Cc1ccc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)cc1 1888906449 DCIGEMASPGXJOV-INIZCTEOSA-N 320.458 1.771 0 40 DDAB Cn1cnc2c(N3CC[C@H](COc4ccccn4)C3)ncnc21 1888931035 XUGVBXVTWJOEBP-LBPRGKRZSA-N 310.361 1.664 0 40 DDAB Cc1ccsc1CN1CC(Oc2ccnc(C(N)=O)c2)C1 1889102337 VTOKWFARSRBVCQ-UHFFFAOYSA-N 303.387 1.814 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1ccccc1-c1ccccc1 32759081 QXWZRGMBCJHJBD-UHFFFAOYSA-N 318.398 1.720 0 40 DDAB O=C(Cc1ccccc1I)N1CC(O)C1 305190151 UYFXFVUHRAFHFX-UHFFFAOYSA-N 317.126 1.037 0 40 DDAB CC1CCC(C(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)CC1 1565552329 QPEXTMGOPZLLEY-PQAZSJQKSA-N 314.451 1.305 0 40 DDAB COc1cccc(CN(C)C2CN(c3ccc4nncn4n3)C2)c1 1565519656 VOLYMGPZZWGRGK-UHFFFAOYSA-N 324.388 1.454 0 40 DDAB Cn1c(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)cccc1=O 1565548471 CSTXAXPTIDSWQP-HOTGVXAUSA-N 312.369 1.203 0 40 DDAB Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2c3cccnc3sc21 2070433866 RFZYFWCGYCWCFZ-SECBINFHSA-N 317.370 1.489 0 40 DDAB O=C(NCc1cc(C2CC2)ncn1)c1cnn(-c2ccccc2)n1 585360358 GRQHCSOLKOWRMH-UHFFFAOYSA-N 320.356 1.865 0 40 DDAB O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1 12436837 DSPNXKHVYQLUJU-SDSIWUNFSA-N 322.364 1.458 0 40 DDAB O=C1NC(S)=N/C1=C1/C(=O)Nc2ccc(Br)cc21 15011924 QIYUZAIQDGRXOD-BQYQJAHWSA-N 324.159 1.528 0 40 DDAB COc1ccc([C@@H](C)NC(=O)c2c(C(=O)O)cnn2C)cc1 20318451 ZBFBVUZSFOAOEB-SECBINFHSA-N 303.318 1.618 0 40 DDAB Cc1ccc2ncn(Cc3nnnn3-c3ccccc3)c(=O)c2c1 40538839 ZPUJQMATWCCBII-UHFFFAOYSA-N 318.340 1.729 0 40 DDAB COc1ccc(S(=O)(=O)N(CC(=O)O)CC2CC2)cc1F 36885553 ROZVQRMGWZYBHB-UHFFFAOYSA-N 317.338 1.320 0 40 DDAB C[C@H](O)CN1CCC(CN(C)CCOCC(F)(F)F)CC1 69778479 MHZOWABOHLJETB-LBPRGKRZSA-N 312.376 1.590 0 40 DDAB Fc1ccc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)cc1 29659298 YJIDXKGUQOTMNO-CQSZACIVSA-N 303.341 1.721 0 40 DDAB CS(=O)(=O)NCCNC(=O)c1cc2c(s1)CCCCC2 29680851 TWHINNUQXPQDGK-UHFFFAOYSA-N 316.448 1.296 0 40 DDAB Cn1c(=O)c2nc(Cl)c(-c3ccccc3)nc2n(C)c1=O 339465 VSQYRMPHNNJFIZ-UHFFFAOYSA-N 302.721 1.348 0 40 DDAB CC[C@@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1 2804207 ZQCQIBXEJWXWHT-MNOVXSKESA-N 316.199 1.892 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H](C)O1 6086773 MAHMUKCBFRHJJJ-RYUDHWBXSA-N 301.346 1.032 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)n2ncnc2N[C@@]1(C)O 6822304 UJUIRZOSFAEDOK-BZPMIXESSA-N 306.753 1.860 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)N1CC[C@H](Oc2cccnc2)C1 84019474 DEMMGTVLKQCKOZ-AWEZNQCLSA-N 315.377 1.784 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 37116611 NSXMPLRLJWYJOX-JTQLQIEISA-N 308.325 1.817 0 40 DDAB COc1ccc([C@H](O)CNC(=O)NCc2nc(C)cs2)cc1 41449480 GYYAUZQZRQVGFI-CYBMUJFWSA-N 321.402 1.993 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1ccc(S(C)(=O)=O)cc1 46922477 CWSSNBLLIUUVRA-NSHDSACASA-N 312.391 1.020 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)CCNc2ncccn2)on1 53402490 YOVZCFDGBRGSJH-LBPRGKRZSA-N 301.350 1.939 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 53895082 RWSFOJDUOVATOJ-SNVBAGLBSA-N 318.764 1.473 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C 9834172 NOSPOYBSNMWYKW-INIZCTEOSA-N 319.405 1.622 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NCc1cccnc1 9858289 WIBOIDBVFWLCFH-UHFFFAOYSA-N 317.776 1.710 0 40 DDAB O=C(Nc1cccnc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 42377410 FFUBKVFWQBHZEI-ZDUSSCGKSA-N 302.378 1.948 0 40 DDAB NC(=O)CSCCC(=O)Nc1ccccc1N1CCCC1 23098736 QXYZWEIFQCMVMB-UHFFFAOYSA-N 307.419 1.834 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 23483755 GYZPVOULQTUFBZ-OAHLLOKOSA-N 321.402 1.127 0 40 DDAB O=C(NCc1ccco1)N[C@@H]1CCCc2c1cnn2CCO 42839884 WBLVGQUUMDXWFY-CYBMUJFWSA-N 304.350 1.345 0 40 DDAB COC(=O)Cc1c[nH]c2cccc(OC[C@@H](O)CNC(C)C)c12 1318541 XYYNADJYWANKQJ-ZDUSSCGKSA-N 320.389 1.621 0 40 DDAB biogenic Cn1ccnc1[C@H](Nc1ccc2nnnn2n1)c1ccccc1F 12506067 IUWLBJXCHDSLPJ-CQSZACIVSA-N 324.323 1.593 0 40 DDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ncccn2)C1 106508094 IWKULYVXRVLAFL-VXGBXAGGSA-N 306.366 1.079 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)NC2CC2)CC1 55913619 CDKPZTSSOQOCNE-OAHLLOKOSA-N 301.390 1.204 0 40 DDAB Cc1cccc(C)c1OC1CCN(C(=O)[C@@H](C)NC(N)=O)CC1 56016920 PIBTTYCDDGUXBO-CYBMUJFWSA-N 319.405 1.730 0 40 DDAB Cc1ccccc1CN1CCN(c2ncnc3[nH]ncc23)CC1 12547867 QPDKMPPURXWQNJ-UHFFFAOYSA-N 308.389 1.984 0 40 DDAB CCc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)cc1 22584870 SXCNHQCZHDVGLZ-HNNXBMFYSA-N 319.405 1.278 0 40 DDAB COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1 3242991 AGYBOPGBZVGAIM-UHFFFAOYSA-N 308.363 1.563 0 40 DDAB CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108460690 JHYBVZINQSYFHA-IXDOHACOSA-N 316.401 1.514 0 40 DDAB CC(C)OCCCNC(=O)N1CCN(c2ncccn2)CC1 57992164 ORIMEHPPYKMWCI-UHFFFAOYSA-N 307.398 1.123 0 40 DDAB C[C@@H]1CN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C[C@@H](C)O1 3228327 WCQWNJNQVXTARZ-CHWSQXEVSA-N 320.389 1.545 0 40 DDAB O=C(CNC(=O)C1=COCCO1)Nc1ccc(F)c(F)c1F 10031876 JUFPIEUBZCCJQE-UHFFFAOYSA-N 316.235 1.047 0 40 DDAB NC(=O)NC(=O)CCN1CCC[C@@H]1Cc1ccccc1Cl 58157851 GGVFKCMVBJUQSL-GFCCVEGCSA-N 309.797 1.932 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(COCC(F)(F)F)cc1 27671907 LOXUFNFGWHDDNU-UHFFFAOYSA-N 318.295 1.631 0 40 DDAB Cn1c(=O)/c(=C/c2ccccc2)s/c1=C\C(=O)c1ccco1 44907749 VXHOWFJDCSKEGR-XCMCHEKJSA-N 311.362 1.532 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2[nH]1 44968250 STZFQNXVRHWLLO-VIFPVBQESA-N 308.363 1.119 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCn1cccn1 44911025 ANJBHELFKMWQPO-DOMZBBRYSA-N 301.346 1.618 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1OC 28058202 GPGKMBRESQJBCK-WDEREUQCSA-N 315.391 1.502 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 62119985 OZBNUBATOPBTAC-ZETCQYMHSA-N 307.730 1.574 0 40 DDAB Cc1cc(CN2Cc3ccnn3[C@H](C(=O)NC(C)C)C2)n(C)n1 306141903 WJRVGMIKFOSREK-HNNXBMFYSA-N 316.409 1.007 0 40 DDAB COc1cc(CNC(=O)N(C[C@@H]2CCOC2)C2CC2)ccn1 45494917 OQCCJDKTPRNCCQ-ZDUSSCGKSA-N 305.378 1.801 0 40 DDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCC(C)C)c(O)c1 3359152 ZWQAHTORMXVYJT-UHFFFAOYSA-N 308.334 1.339 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-n2cncn2)cc1 48273392 XDJYEQZVFBMNBO-ZDUSSCGKSA-N 300.362 1.766 0 40 DDAB CCOC(=O)Cc1nnc(N2C(=O)c3ccccc3C2=O)s1 408718088 INYMPIWFRKYTJO-UHFFFAOYSA-N 317.326 1.444 0 40 DDAB CCCN(CC(=O)OC)S(=O)(=O)c1cccc2cnccc12 48374128 CQNUJNDGGOZCJU-UHFFFAOYSA-N 322.386 1.809 0 40 DDAB CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1F 3455831 SNSOYNYINKFRQP-JTQLQIEISA-N 302.371 1.409 0 40 DDAB C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 91693664 ZBPUHFGPQGJOHB-SHCNBLLESA-N 321.465 1.745 0 40 DDAB CCc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)o1 69571013 ZZWSTIYQRNILDO-AWEZNQCLSA-N 319.405 1.396 0 40 DDAB Cc1nnc([C@H](C)N2CCN(C[C@@H](O)c3ccccc3)CC2)o1 69667412 NUMIOPZIOCVBDR-XJKSGUPXSA-N 316.405 1.790 0 40 DDAB O=C(C[C@H]1CCCO1)NS(=O)(=O)Cc1ccc(Cl)nc1 49515089 BRWXRIAPUOAGBJ-SNVBAGLBSA-N 318.782 1.250 0 40 DDAB Cc1onc(-c2ccccc2)c1C(=O)NN1CCN(C)CC1 4144420 HDAMIBXTZXNQBN-UHFFFAOYSA-N 300.362 1.542 0 40 DDAB CN(C)CCCNCc1cc2cc3c(cc2[nH]c1=O)OCCO3 4132837 MGEKAAIYAMKRLV-UHFFFAOYSA-N 317.389 1.341 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1nnc(-c3ccccc3)o1)CC2 69810427 BVNYQVQDMLZRIR-ZDUSSCGKSA-N 324.388 1.995 0 40 DDAB Cn1c(NCc2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O 6219239 AWSSEZZFRHDSBL-UHFFFAOYSA-N 313.279 1.715 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCOc2ccccc2)c(=O)[nH]1 65552437 XBMAZSWSYYITGJ-UHFFFAOYSA-N 315.373 1.870 0 40 DDAB COc1ccc(N(C)C(=O)c2cccc(S(C)(=O)=O)c2)cn1 65504649 BPMZGTRZEWGZSB-UHFFFAOYSA-N 320.370 1.770 0 40 DDAB CCOc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 65590463 PVHVLDDTSKSZDA-LLVKDONJSA-N 312.391 1.702 0 40 DDAB COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 4588997 IKKOOBLYKHBRFQ-UHFFFAOYSA-N 317.297 1.539 0 40 DDAB O=C(O)CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)C(=O)O 14246122 RUZVOWVYNNCPOC-ZDUSSCGKSA-N 319.357 1.933 0 40 DDAB O=C1CN(C(=O)c2ccc(Cl)cc2O)[C@@H]2CCCC[C@@H]2N1 92600538 FATMEIQIPNGORR-NWDGAFQWSA-N 308.765 1.929 0 40 DDAB COc1ccccc1CC(=O)NCc1c(C)cc(C)[nH]c1=O 7118252 JWOWJXHGHCKHCH-UHFFFAOYSA-N 300.358 1.859 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21 9041616 QUVOASGDRUECKJ-LBPRGKRZSA-N 319.361 1.742 0 40 DDAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CC3CCC3)[C@@H]2C1 93020373 DEHDRISKEGPHHY-MCIONIFRSA-N 303.424 1.385 0 40 DDAB COc1ccccc1[C@H](CNC(=O)c1cc[n+]([O-])cc1)N(C)C 68776821 AHAOVWGCJDHUKV-HNNXBMFYSA-N 315.373 1.361 0 40 DDAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)N1CCOCC1 9114831 ZRKHFMQSHLBCGL-LLVKDONJSA-N 305.403 1.913 0 40 DDAB O=S(=O)(N[C@H]1CCCNC1)c1ccccc1Br 71397281 LCXNNLTVONARGN-VIFPVBQESA-N 319.224 1.479 0 40 DDAB Cc1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3ncccn3)C2)n[nH]1 84110826 QIYBBACTGKAZKG-QWHCGFSZSA-N 314.393 1.715 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 71836423 KIQHPKNMVBZPGS-ZCFIWIBFSA-N 303.181 1.458 0 40 DDAB COc1ccc(CCCNC(=O)c2ccc(=O)[nH]c2)cc1OC 71830971 KWJWDBGQKUPKGM-UHFFFAOYSA-N 316.357 1.755 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c(C)s1 71830379 YPSJTWPQEXBVGP-LBPRGKRZSA-N 307.419 1.995 0 40 DDAB C[C@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cnn(C)c1 97010067 FBJCNYKBKRGIFW-JTQLQIEISA-N 312.337 1.279 0 40 DDAB C[C@H](CNC(=O)N(C)C[C@@H]1CCCC[C@@H]1O)Cn1cccn1 97049238 QEYOUFCPXFJYKM-ILXRZTDVSA-N 308.426 1.712 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1ccc(CO)o1 72298340 BGMAQPUDFIHDNO-SUMWQHHRSA-N 319.405 1.990 0 40 DDAB Cc1noc(C)c1CCNC(=O)/C=C/c1ccc(C(N)=O)cc1 78986364 YDWSXWBADGWRCM-VMPITWQZSA-N 313.357 1.762 0 40 DDAB Cc1[nH]ccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 88213084 DWWOVRCRHIWUEI-AWEZNQCLSA-N 318.421 1.092 0 40 DDAB Cc1cc(OCc2nc(CC(=O)NC3CCCCC3)no2)no1 74117428 XYQBRLBFLUDENM-UHFFFAOYSA-N 320.349 1.936 0 40 DDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cncc(-c2ccccc2)c1 95979145 KUMBHEQCPVDNSC-CXAGYDPISA-N 312.369 1.970 0 40 DDAB CC[C@H](NC(=O)N1CCCN(C(C)=O)CC1)c1ccncc1 74438292 KHWOEGHMAMASFK-HNNXBMFYSA-N 304.394 1.797 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C 89532543 LAQMACZONGDEOM-WDEREUQCSA-N 315.439 1.833 0 40 DDAB CCn1ccnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 75129260 WIKKZBMIYZWKAO-QGZVFWFLSA-N 314.433 1.754 0 40 DDAB CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22606509 JNDWLVKQFXMNQB-UHFFFAOYSA-N 311.190 1.823 0 40 DDAB O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CCCC1 408974461 ABVJKSSUDXMXLS-UHFFFAOYSA-N 322.324 1.513 0 40 DDAB C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCNS(C)(=O)=O 548166268 LVAFBDLDTJMMTQ-BDAKNGLRSA-N 316.345 1.115 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2)on1 32929833 NLLROSBOCYJSEB-LBPRGKRZSA-N 322.386 1.603 0 40 DDAB Cc1cc(C(=O)NC[C@@H](O)[C@@H]2CCOC2)c2ccccc2n1 532145916 SSWLLQUZIBVRST-MLGOLLRUSA-N 300.358 1.670 0 40 DDAB CCN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN 79392891 WVYJDZZKXKNZGU-OAHLLOKOSA-N 319.405 1.595 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC(Cc3cccnc3)CC2)c1 72364547 PQAKZAIXPPCTOG-UHFFFAOYSA-N 320.418 1.459 0 40 DDAB CSC[C@@H](C)C(=O)N1CCN(c2nc(C)ns2)CC1 74022769 RDUMVOMOTXSTIH-SECBINFHSA-N 300.453 1.494 0 40 DDAB O=C1NCCCC[C@@H]1SCc1cc(=O)n2ccsc2n1 78555538 IHFRQIULZHOIFN-JTQLQIEISA-N 309.416 1.658 0 40 DDAB COc1ccc([C@]2(Cc3ccc(F)cc3)NC(N)=NC2=O)cc1 71974415 DQYYCIRDMFBPBG-KRWDZBQOSA-N 313.332 1.717 0 40 DDAB CN(C)C(=O)c1cnn(CC2CCN(c3ncccn3)CC2)c1 72356753 SWQJFWDXNVFUAX-UHFFFAOYSA-N 314.393 1.292 0 40 DDAB CCOC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)no1 72332253 LWUUUSPMWMMRBZ-UHFFFAOYSA-N 320.374 1.862 0 40 DDAB Cc1nc(COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)no1 78768514 ZUAAMUQEXJNHGE-JTQLQIEISA-N 311.338 1.821 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2ccc(Cl)nn2)C1 71328748 LOZAKIWYZONRSD-WDEREUQCSA-N 302.765 1.915 0 40 DDAB CC(C)(N)c1nocc1C(=O)NCCc1cn2ccccc2n1 568235388 NKBZCBSVYSNCTI-UHFFFAOYSA-N 313.361 1.489 0 40 DDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccccn3)C2)nn1 225446181 QBWJAXKBQHZJNN-LBPRGKRZSA-N 313.361 1.231 0 40 DDAB O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCOS(=O)(=O)O 137868708 MLUJBNROAVANKK-BSANDHCLSA-N 306.336 1.212 0 40 DDAB biogenic,in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]1C(F)(F)F 528512163 YCDREWHPAQEPNF-VIFPVBQESA-N 311.329 1.752 0 40 DDAB CCN1CCCN(C(=O)NCCCCC(F)(F)F)CC1=O 195576797 BTKQQRLDQNNUCK-UHFFFAOYSA-N 309.332 1.983 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(Cc1nccs1)CC2 96058950 ZXRWGOOIMJDVOE-UHFFFAOYSA-N 320.466 1.633 0 40 DDAB c1cnc(O[C@@H]2CO[C@]3(CCN(C4CCOCC4)C3)C2)nc1 96072575 ZHMRKPPWRDNKIW-GOEBONIOSA-N 305.378 1.268 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 96181177 YUGARJLSXIBPGF-IUODEOHRSA-N 323.462 1.726 0 40 DDAB COc1ncnc2c1CN(Cc1ccc3c(c1)OCCO3)CC2 97202011 SMEZGQZXGWEELM-UHFFFAOYSA-N 313.357 1.815 0 40 DDAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(C)=O)C3)cc1 96112843 YTGQGNQLCRFRRF-AWEZNQCLSA-N 301.346 1.594 0 40 DDAB biogenic,in-vitro COc1ccc(C2=NO[C@@](C)(C(=O)N3CCN(C)CC3)C2)cc1 96192806 OKADFBGZSOCJNR-QGZVFWFLSA-N 317.389 1.352 0 40 DDAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(C1CCCC1)C2 247998028 NCKKALCECPFGMP-OAHLLOKOSA-N 324.465 1.905 0 40 DDAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 247807527 CFIXCNQXMXIHLS-INIZCTEOSA-N 315.373 1.856 0 40 DDAB COc1ccc(CC(=O)N2CCOC[C@H]2c2ccn[nH]2)cc1 257272309 NBXIKJHEACOKPD-HNNXBMFYSA-N 301.346 1.561 0 40 DDAB Cc1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)[nH]n1 257310032 UDKXGOLXZSRXOQ-LLVKDONJSA-N 321.406 1.314 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2F)CC[C@@H]1O 257312904 UQDNQBVOFUZKIA-KBPBESRZSA-N 312.316 1.066 0 40 DDAB Cn1cc(-c2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257205740 BAKJIRRHSLPBGE-NSHDSACASA-N 321.406 1.016 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2cncs2)n1 257249648 JJFHFJJSXFRNMC-CYBMUJFWSA-N 317.418 1.972 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 257238669 HLZJKKQKWAKFNX-CYBMUJFWSA-N 314.389 1.512 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)c(O)c1 257294997 QWNSERCBOABGRL-BPLDGKMQSA-N 309.362 1.449 0 40 DDAB Cc1cc(-c2noc(CNC(=O)c3ccnc(O)c3)n2)no1 253537711 NYRWTWMGBJSSBZ-UHFFFAOYSA-N 301.262 1.064 0 40 DDAB COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1OC 96366479 GQWUFSUSZZWGJV-UHFFFAOYSA-N 321.358 1.198 0 40 DDAB CCCCC(=O)N1Cc2cncn2[C@@H](C(=O)N2CCCO2)C1 585096038 OGHGEAYZTWLPTH-CYBMUJFWSA-N 306.366 1.121 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)c3ccccc3F)C2)nn1 585149591 AWTQCIQYUCEKOY-GFCCVEGCSA-N 304.325 1.651 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccncc1)[C@H]2C 585096713 AYZPETRJWUIPGP-NSHDSACASA-N 301.350 1.427 0 40 DDAB Cc1cc(C)n2ncc(C(=O)N[C@H](C(N)=O)c3ccccc3)c2n1 45141358 XUHUPALGUWBKPP-AWEZNQCLSA-N 323.356 1.303 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccccc2Cn2cccn2)CN1 47794908 QIULJCDTFLJRAR-CQSZACIVSA-N 312.373 1.074 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)NC(C)(C)C 58411464 WSTKLZRHSNKFML-NWDGAFQWSA-N 323.437 1.197 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 71827114 BTZNPWFQUQUIFT-AWEZNQCLSA-N 300.362 1.908 0 40 DDAB Cc1csc(Nc2ccc(NC(=O)Cn3cnnn3)cc2)n1 71896263 XYQMRUNKEIUSKV-UHFFFAOYSA-N 315.362 1.820 0 40 DDAB Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cn2cncn2)cc1 69600981 BIRHIFZGJOCGMB-HZPDHXFCSA-N 316.405 1.491 0 40 DDAB Cc1cc(S(=O)(=O)N2CCN(CC(F)F)CC2)ccc1F 69707401 UUDMLMRINBPRAY-UHFFFAOYSA-N 322.352 1.706 0 40 DDAB Cc1ccc(C(=O)NCCc2cn3c(n2)CCCC3)c(=O)[nH]1 75119491 URPJNXUABUPEQT-UHFFFAOYSA-N 300.362 1.189 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCOC[C@@H]2CN(C)CCO)c1 85469793 FGUJTAZEWYPHFY-INIZCTEOSA-N 306.406 1.069 0 40 DDAB NS(=O)(=O)CC1CCN(CCSc2ccccc2)CC1 89991726 RVLUNARBVXDYER-UHFFFAOYSA-N 314.476 1.779 0 40 DDAB O=S(=O)(C1CC1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1776009083 UYEPZLVLACHUTG-UHFFFAOYSA-N 322.308 1.656 0 40 DDAB O=C(NCc1cccs1)NCC1(O)CSCCSC1 1888994964 BWYCMKVEVPMWTO-UHFFFAOYSA-N 318.489 1.758 0 40 DDAB Brc1cnn(CC2CN(C[C@H]3CCCO3)C2)c1 1889064690 GLNAPOKHBHXVEY-GFCCVEGCSA-N 300.200 1.756 0 40 DDAB O=C(Cn1ccn(Cc2ccccc2)c(=O)c1=O)c1ccccc1 1775969042 UVQDGOXIRICYJY-UHFFFAOYSA-N 320.348 1.941 0 40 DDAB C[C@@H]1Oc2ncc(Br)cc2N(CCN(C)C)C1=O 5587163 ISLJZNLKJIILNJ-QMMMGPOBSA-N 314.183 1.520 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 12146040 RCNCXUFHVZVTRU-UHFFFAOYSA-N 313.350 1.585 0 40 DDAB COCCNC(=O)Cn1c([C@@H]2CCCO2)cc2cccnc21 12222519 IHJJJXIPIWGMQP-AWEZNQCLSA-N 303.362 1.650 0 40 DDAB COCC(=O)N1CCC[C@H](Cn2nnc(-c3cccs3)n2)C1 12326976 SWXSYKWTMKQCLV-NSHDSACASA-N 321.406 1.287 0 40 DDAB Cc1ccccc1OCC(=O)NCC(C)(C)N1CCOCC1 12988738 JVFGUZQEEWPYRX-UHFFFAOYSA-N 306.406 1.601 0 40 DDAB Cc1c(Cl)c(S(N)(=O)=O)cc2c1N=CN=[S@]2(=O)O 13086459 XZQXROBNFFPLTP-UHFFFAOYSA-N 309.756 1.269 0 40 DDAB in-vitro Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccnc1 19288897 NYYOPHRGDBDQSY-UHFFFAOYSA-N 313.336 1.853 0 40 DDAB COc1cccc(C(N)=O)c1OS(=O)(=O)c1ccccc1 226307412 ZHUFUAUGTYSRMI-UHFFFAOYSA-N 307.327 1.562 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2cccc(-n3cccc3)c2)[C@@H]1O 643585352 BLTWAPZHXCRIBC-NXHRZFHOSA-N 316.401 1.589 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2 3288539 KWOUQHLCXBMYMV-VIFPVBQESA-N 302.286 1.765 0 40 DDAB CCC(CC)NC(=O)COC(=O)CNC(=O)c1ccccc1F 3484569 YYOLFXYSWCHTJG-UHFFFAOYSA-N 324.352 1.404 0 40 DDAB CN1C[C@H](CN2CCC[C@@H](COc3ncccn3)C2)CC1=O 1848967440 DANFDOZTMLOZAO-ZIAGYGMSSA-N 304.394 1.046 0 40 DDAB CN(C)[C@@H]1COC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565553877 FTEDGCPNWAVVBD-LBPRGKRZSA-N 302.365 1.743 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1cccs1 10255937 VKRBSHGKPCQWLP-CQSZACIVSA-N 300.383 1.995 0 40 DDAB COc1ccc(OC)c2c1CN(Cc1nc(C)no1)C[C@@H]2O 30588806 PDHCUJJSWYZPCV-NSHDSACASA-N 305.334 1.444 0 40 DDAB CC[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)CCO1 30603736 XNAWHXWOGBTFDN-CYBMUJFWSA-N 316.361 1.702 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCn2c1nc1ccccc12 30795476 QGQLHRFIGXSJPB-UHFFFAOYSA-N 309.373 1.976 0 40 DDAB COc1ccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 20319218 AARGVCIXZMJVHH-SECBINFHSA-N 303.318 1.618 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100846361 CNSGYHNQURHNQW-FSZRXZPDSA-N 313.353 1.532 0 40 DDAB CCCn1nc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1=O 11782021 KYTSQDWWARQOEB-UHFFFAOYSA-N 314.345 1.864 0 40 DDAB CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)O 36983386 IAPDBONEKCUEPZ-JQWIXIFHSA-N 306.428 1.585 0 40 DDAB CCOC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 36985041 FNRNZCYNMVJDJA-UHFFFAOYSA-N 300.332 1.185 0 40 DDAB CNS(=O)(=O)c1cccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 101542515 RIDUOUHONFYESA-QEJZJMRPSA-N 306.431 1.897 0 40 DDAB CCCOc1ccccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 101675349 XEZJNCWVEYQQOZ-LLVKDONJSA-N 301.306 1.445 0 40 DDAB CC(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1379234 MTBOSOVKTIUMBT-CYBMUJFWSA-N 314.382 1.503 0 40 DDAB CSc1ccccc1NC(=O)CNCCCN1CCOCC1 2655739 KCCLPHBFLMBBMO-UHFFFAOYSA-N 323.462 1.659 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)n(C)c1 21278855 GKPJRVFRASWHFU-UHFFFAOYSA-N 319.386 1.136 0 40 DDAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCOC1 69774870 GCZMCODHVHURNC-DGCLKSJQSA-N 324.402 1.176 0 40 DDAB CCOC(=O)[C@H]1[C@H](C)[C@H](C(=O)OCC)N(C(=O)OCC)[C@@H]1C 4804192 CORUWIWKNKXWHI-WHOHXGKFSA-N 315.366 1.594 0 40 DDAB CN(C)CCNC1=Nc2ccccc2C(=O)N2CSC[C@@H]12 6371963 UKKLPUCNARPLGD-ZDUSSCGKSA-N 304.419 1.397 0 40 DDAB Cc1cccc(N2CCN(CCNC(=O)c3cc[nH]n3)CC2)c1 52579901 OYEAXJNDRRFEFH-UHFFFAOYSA-N 313.405 1.270 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 57312750 AHHGDOXXHIEZDU-GDBMZVCRSA-N 304.390 1.749 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCCc3cn[nH]c3C)nc2n1 68981540 MGPLAXSSEKOZOA-UHFFFAOYSA-N 313.365 1.135 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)NCc1cccs1 32958236 GRVBSNFOWPSHCL-UHFFFAOYSA-N 320.370 1.551 0 40 DDAB O=C1[C@H]2[C@@H]3C(=O)[C@@]4(Br)[C@H]2[C@@H]2[C@H]4[C@@H]3[C@@]12Br 104107261 BPIHMPOUHNUKRN-ADJLYQDJSA-N 317.964 1.157 0 40 DDAB Cc1nn(CC(=O)N[C@H](C)[C@@H]2CCCO2)cc1Br 2780204 WNYYJZBDILVNIB-KOLCDFICSA-N 316.199 1.638 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)NCc2nc(C)cs2)cc1 41449475 GYYAUZQZRQVGFI-ZDUSSCGKSA-N 321.402 1.993 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NC1CCC(O)CC1 52931997 DIDKXJDHZHUNTI-UHFFFAOYSA-N 315.373 1.206 0 40 DDAB COc1ccc(CNC(=O)CSc2nnc(N)s2)cc1 2843257 YAWHZTKAUNIBKJ-UHFFFAOYSA-N 310.404 1.537 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccc(O)nn1)c1cccc(F)c1 22682237 MMNPUJRTMKVVOQ-CYBMUJFWSA-N 304.325 1.354 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cn1 47223866 QOZVZONUZRGVSV-UHFFFAOYSA-N 308.334 1.805 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Cn2cncn2)cc1 42532699 QQTBBAXCVWHRCN-ZDUSSCGKSA-N 310.361 1.341 0 40 DDAB O=C(CCN1CCOCC1)Nc1ccc(N2CCCC2=O)cc1 23695799 JYHVUNFSBLDUHC-UHFFFAOYSA-N 317.389 1.474 0 40 DDAB Cc1c([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cnn1C 101616301 DPTYGCMZUBIJJP-WUGNMRFOSA-N 303.362 1.429 0 40 DDAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)c1c[nH]c2ccccc12 47735218 RBGZQAKWINILQT-GHMZBOCLSA-N 314.341 1.761 0 40 DDAB CC(C)C(=O)Nc1cccc(NC(=O)Cn2cccnc2=O)c1 24895563 ZADVGOFPDFARTK-UHFFFAOYSA-N 314.345 1.477 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccc(O)cc3)[C@@H]2C1 107249481 GECVUQLMQLFSDU-SWLSCSKDSA-N 315.398 1.805 0 40 DDAB Cc1nc2ccccc2n1CC(=O)N1CCN(CC2CC2)CC1 55673654 VOYZXOZQGUXKAK-UHFFFAOYSA-N 312.417 1.899 0 40 DDAB CCCN1CCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 25778003 SCPUBMWERIKXPO-HNNXBMFYSA-N 321.421 1.588 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCNS(=O)(=O)CC[C@H]2CCCO2)C1 110683387 VMCMEQGYJKOSQY-QLFBSQMISA-N 318.483 1.453 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C(C)C)cc1 22348881 ZVACYTSSXZQJHU-CYBMUJFWSA-N 312.435 1.776 0 40 DDAB CCNC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC)cc1 67896326 JQFZCMDTEZQJJN-UKRRQHHQSA-N 321.377 1.109 0 40 DDAB biogenic,in-vitro CCOC(=O)CCNC(=O)c1ccn(-c2ccc(OC)cc2)n1 58182095 GTVBSNUVDGWESS-UHFFFAOYSA-N 317.345 1.564 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cccn1 44890685 OHIGGHSRHHDOCU-CYBMUJFWSA-N 301.346 1.572 0 40 DDAB COc1ccc(C(=O)NO[C@H]2CCCCO2)c(OC)c1OC 58391415 PFWARPWLHMTZGI-LBPRGKRZSA-N 311.334 1.900 0 40 DDAB COCCN1CCC(NC(=O)c2cccc3[nH]ncc23)CC1 58308138 UYVGTNZZNIBKMN-UHFFFAOYSA-N 302.378 1.404 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)NC[C@@H](C)N1CCOCC1 48162700 QQYBXDMIVBRRGL-CABCVRRESA-N 306.406 1.429 0 40 DDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1nonc1C 2363440 QUEZOISAFUOZES-UHFFFAOYSA-N 300.274 1.898 0 40 DDAB CN(C)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cn1 28896209 LUESKBGGPWKDIX-UHFFFAOYSA-N 313.357 1.849 0 40 DDAB COCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 69349291 LAAGKCWABRSBRX-CHWSQXEVSA-N 322.430 1.477 0 40 DDAB Cc1ccc(C)c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 3531492 FLEJSLWZQRFWIU-GFCCVEGCSA-N 313.444 1.699 0 40 DDAB NC(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1 8316204 JOZSTKAMSQEMME-UHFFFAOYSA-N 315.304 1.293 0 40 DDAB CC(C)NC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38554068 JTXZJPGJEJFZQH-UHFFFAOYSA-N 301.394 1.799 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNc1ncc(S(N)(=O)=O)s1 69484063 LQQNPZKTALMRFF-NXEZZACHSA-N 319.452 1.798 0 40 DDAB CN1CCc2c(c(NC[C@H]3CCCO3)nc3[nH]nc(N)c23)C1 5207995 NRLYRJOPULKSPR-SECBINFHSA-N 302.382 1.119 0 40 DDAB COc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc2c1OCCO2 65434710 DNIHWOXSTWTMRZ-QWRGUYRKSA-N 307.346 1.716 0 40 DDAB CC(C)C(=O)N1CCCN(CC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 69584745 OPHCCXPNZCVMKG-IYBDPMFKSA-N 323.481 1.966 0 40 DDAB CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc[nH]c1=O 69567767 CAQOKHARBFVASK-JTQLQIEISA-N 309.391 1.261 0 40 DDAB CN(C(=O)Cn1nnn(-c2ccccc2)c1=O)C1CCCCC1 14134930 LOCUOVCKNJYMSO-UHFFFAOYSA-N 315.377 1.220 0 40 DDAB CC(C)NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1 14118449 CYCQPMUETCHFSX-UHFFFAOYSA-N 304.394 1.361 0 40 DDAB CCSc1nnc(NC(=O)Cn2c(C)csc2=O)s1 14120715 YOSWCADPYZZWBN-UHFFFAOYSA-N 316.433 1.820 0 40 DDAB C[C@@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)N(C)C 65623328 YWXZBEKSTCWNSP-JTQLQIEISA-N 307.785 1.601 0 40 DDAB CONC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 14241119 ASNVEFWIXOBSIQ-UHFFFAOYSA-N 324.333 1.918 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1CC 69847516 GTIRLRDTGVFANA-AWEZNQCLSA-N 324.425 1.354 0 40 DDAB NS(=O)(=O)CCNC(=O)/C=C(/c1ccccc1)C(F)(F)F 69895422 CRBHBMFKGABVQL-NTMALXAHSA-N 322.308 1.037 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 69947203 WOCNHDZQSVABTI-AWEZNQCLSA-N 320.437 1.063 0 40 DDAB COc1cc2[nH]c(O)c(C(=O)NC3CC3)c(=O)c2cc1OC 8994563 ZRLDAUQWGMGZNY-UHFFFAOYSA-N 304.302 1.143 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)Nc2cc(C)on2)cc1 9871623 DVJGVIXLJKMINP-UHFFFAOYSA-N 303.318 1.750 0 40 DDAB Cc1ccccc1C[C@@H](CNC(=O)c1ncoc1C)C(=O)O 97036034 PGDDRONGJLMIRR-ZDUSSCGKSA-N 302.330 1.965 0 40 DDAB Cn1nc(C(=O)NCCSc2ccc(Cl)cc2)ccc1=O 9314337 CRUHUIJDQUTGSH-UHFFFAOYSA-N 323.805 1.956 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 83609703 VFMZESQMOMBYFM-LBPRGKRZSA-N 318.345 1.178 0 40 DDAB CC(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(N)=O)C1 96416952 TXFYSWCRUAYUMD-GJZGRUSLSA-N 304.390 1.214 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 72234873 WTHBJVJSMZLBQJ-KGLIPLIRSA-N 308.382 1.027 0 40 DDAB C[C@@]1(C(=O)N2CCN(c3ncccn3)CC2)CC1(Cl)Cl 9594844 JKJGVHKCYRULTA-LBPRGKRZSA-N 315.204 1.709 0 40 DDAB CCN(CC)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 22273150 AWHVBKHMLCXDNI-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2cccn2)on1 71875605 OQPNTDQZNCOHSA-QWHCGFSZSA-N 303.366 1.671 0 40 DDAB O=C(NCC(=O)N1CCCC1)c1ccc(N2CCCC2=O)cc1 9677997 OPKFDTWKFVAPSW-UHFFFAOYSA-N 315.373 1.166 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](c2ccn[nH]2)C1 72270696 QEEOOYWQBZROPP-RYUDHWBXSA-N 300.366 1.406 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)OCC3CC3)C2)n1 72235552 DUHJDGKUWLYHJD-IAQYHMDHSA-N 306.410 1.874 0 40 DDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NC(C)(C)CO 97232871 RJYLHBWYGDOQJF-UHFFFAOYSA-N 308.769 1.730 0 40 DDAB C[C@H]1CN=C(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)S1 84715266 YHGOBULNUZLQCE-GXTWGEPZSA-N 318.446 1.322 0 40 DDAB CN(CC(C)(C)O)C(=O)NCC[S@](=O)c1ccccc1F 95411360 CGGYKMYAFKEONY-OAQYLSRUSA-N 316.398 1.346 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1CCC[C@H](O)C1 95977800 QNFWEWPNIGAFJN-KBPBESRZSA-N 321.396 1.961 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)CCCc1ccc(O)cc1 95979584 XOJZERLTZZOXQY-AWEZNQCLSA-N 304.390 1.971 0 40 DDAB CN(C)c1ncncc1NC(=O)c1cc(-n2cccn2)ccn1 89322924 PNJACAZVYLWMHP-UHFFFAOYSA-N 309.333 1.376 0 40 DDAB NC(=O)C1(CNCc2c(F)cccc2Cl)CCOCC1 86250564 CJZWDUSHRLJAOF-UHFFFAOYSA-N 300.761 1.851 0 40 DDAB Cc1nonc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 89556401 HRPMUKFEWBVLMF-SNVBAGLBSA-N 307.331 1.027 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1cc(C)ccc1OC 175705832 OALFGLDSMLGZNS-UHFFFAOYSA-N 300.380 1.224 0 40 DDAB CCOC(=O)CCC(=O)Nc1cccc(OCC(=O)OCC)c1 32033798 MCXYRGZKOJVRRX-UHFFFAOYSA-N 323.345 1.910 0 40 DDAB O=C(NCC(=O)N1CC[C@H](O)C12CCCC2)c1ccsc1 548790147 RLJJNPXMGHESGV-LBPRGKRZSA-N 308.403 1.384 0 40 DDAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2cncnc2)c1 521991727 LOMHXYFTSBVTPE-CYBMUJFWSA-N 301.302 1.431 0 40 DDAB CC(C)[C@@H](C)SCC(=O)NCC(C)(C)N1CCOCC1 79077421 RITUTXSUEVRYSC-CYBMUJFWSA-N 302.484 1.991 0 40 DDAB CCCCN(C)S(=O)(=O)Nc1cnc2c(c1)c(C)nn2C 79307864 CSHLYUPVCVKUOI-UHFFFAOYSA-N 311.411 1.665 0 40 DDAB O=C(c1scnc1C1CC1)N1CCC(c2nc(O)n[nH]2)CC1 535842812 XHWYMXJPQXDNFG-UHFFFAOYSA-N 319.390 1.864 0 40 DDAB N[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218161820 QDGHABKKIPLKIS-XHSDSOJGSA-N 317.366 1.682 0 40 DDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217710437 RGWNSOYXBKPUSC-SECBINFHSA-N 316.379 1.130 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)[S@](=O)Cc1cccc(C(N)=O)c1 78556316 CSNGJAZOOIWZOW-XFNZEKPQSA-N 324.446 1.728 0 40 DDAB CN(C)CC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 78394481 QVJXGGQZWUCRSG-UHFFFAOYSA-N 314.389 1.108 0 40 DDAB Cc1nc([C@@H]2CCN2C(=O)c2cscn2)cc(N(C)C)n1 72387585 WQHZEBHBXFKBIB-LBPRGKRZSA-N 303.391 1.895 0 40 DDAB Cc1nn(C)c2cnn([C@@H](C)C(=O)N[C@@H](C)c3ccncc3)c12 41123750 NBYHISISRLKVKX-JQWIXIFHSA-N 312.377 1.912 0 40 DDAB COc1ccc([C@@H](CC(=O)O)CC(=O)NC[C@@H]2CCCO2)cc1 223100264 JHOPMYVRGIGNHZ-HIFRSBDPSA-N 321.373 1.939 0 40 DDAB COC(=O)c1sc(N2CCC3(CC2)OCCO3)nc1Cl 47255853 GFFFASWZCHKTCJ-UHFFFAOYSA-N 318.782 1.926 0 40 DDAB COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCCO)cc1 222984185 VHCKGGGZVRLTCX-CYBMUJFWSA-N 322.405 1.177 0 40 DDAB CS(=O)(=O)N[C@@H](CC(=O)NC1CC1)c1ccc(F)cc1 225944885 IWZVLSVUTXSBKL-LBPRGKRZSA-N 300.355 1.085 0 40 DDAB CCCc1cnc(NC(=O)N[C@H]2CCc3ncnn3C2)s1 97104107 MZYNQLBCZMYHOU-VIFPVBQESA-N 306.395 1.824 0 40 DDAB O=C(C1CC=CC1)N1CC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 96219462 FLGGFBXUYHILPA-RHSMWYFYSA-N 314.389 1.615 0 40 DDAB CCC[C@@H](O)CNC(=O)Nc1cccc(-c2ncn(C)n2)c1 97096270 WRKUAOACIJPRTH-CYBMUJFWSA-N 303.366 1.765 0 40 DDAB CO[C@@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1cnn(C)c1 96069857 NCFJYWSHHMYCHB-QWHCGFSZSA-N 306.391 1.349 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cnn(C)c1 96045342 CMNFFXOOPWWRDO-HNNXBMFYSA-N 316.409 1.167 0 40 DDAB COCCN1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1=O 96054616 PQPHXKPSSVADID-HOCLYGCPSA-N 306.381 1.752 0 40 DDAB Cc1ccc(N2Cc3ncn(CC(C)C)c3[C@H](C(=O)O)C2)nn1 96067851 HXIMMNSTNFPHJK-GFCCVEGCSA-N 315.377 1.826 0 40 DDAB c1ccc(OC[C@H]2C[C@H]3OCCN(C[C@@H]4CCOC4)[C@@H]3C2)nc1 96250611 WJPYGEFZEDYKRP-YLFCFFPRSA-N 318.417 1.976 0 40 DDAB Cn1nnnc1COc1ccc(CC(=O)N2CCCCC2)cc1 96191981 RKJRMDLNCREBPN-UHFFFAOYSA-N 315.377 1.344 0 40 DDAB CN(C)CC1(CNC(=O)N[C@H]2CC[C@H](N(C)C)C2)CCCC1 96502967 DNUKBEMFYGJNAG-GJZGRUSLSA-N 310.486 1.890 0 40 DDAB CCCn1ccnc1CN1CC[C@H](O)[C@@H](n2ccnc2)CC1 257225780 FHTPQJUBVPYHLE-GJZGRUSLSA-N 303.410 1.688 0 40 DDAB CCn1ccc(C(=O)N2CCOC[C@@H](Cc3cnccn3)C2)n1 257337602 YTMVUZZEALBVPO-ZDUSSCGKSA-N 315.377 1.024 0 40 DDAB CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)c(C)n1 257202756 ANHAZYGFMDDURO-RBSFLKMASA-N 317.393 1.245 0 40 DDAB NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257233738 GQNMMWGRJWMLIG-HUUCEWRRSA-N 307.438 1.507 0 40 DDAB C[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)C2)CN(Cc2ccccc2)C1 253370657 UIVSWJKIYQDGGO-HYVNUMGLSA-N 322.474 1.674 0 40 DDAB Cc1onc(C(C)C)c1C(=O)N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257310508 UFICOCHVGMGOCA-LALPHHSUSA-N 318.377 1.797 0 40 DDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccnn3C)C2)n1 257285561 PHTJIRFUTUBYIB-CQSZACIVSA-N 313.405 1.865 0 40 DDAB CC(=O)N[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1O 257303414 SHEBAVFWFZKQBB-IAGOWNOFSA-N 312.369 1.090 0 40 DDAB COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1F 96366457 KLECMTJFQRNXQW-UHFFFAOYSA-N 309.322 1.329 0 40 DDAB O=C(O)C[C@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1 646035884 XFTYKVYOCBVGTE-CYBMUJFWSA-N 315.366 1.985 0 40 DDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)CCOc1ccccc1)C2 585094564 BRJZIHRBWUGRFM-ZDUSSCGKSA-N 315.373 1.135 0 40 DDAB CC(=O)NC1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 50416512 RXUTZCMVKNEWKM-MEDUHNTESA-N 318.373 1.342 0 40 DDAB CCN(CC)c1ccc(C(=O)NC[C@@]2(O)CCSC2)cn1 72310445 ZZSXFGLCSWFMES-HNNXBMFYSA-N 309.435 1.526 0 40 DDAB CCn1cnnc1CNC(=O)c1ccccc1S(=O)(=O)CC 65446974 GCEGNYFLGZNXOZ-UHFFFAOYSA-N 322.390 1.022 0 40 DDAB CCC(=O)N1CC[C@H](NC(=O)Nc2cccc3c2CCN3C)C1 95416970 CNHCCBAGWNBUGX-LBPRGKRZSA-N 316.405 1.811 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)NC)(c2ccccc2)CC1 97037632 WBEWBEUWULEFBW-UHFFFAOYSA-N 310.419 1.116 0 40 DDAB CCC(=O)N1C[C@@H](CC)[C@@H](CN2CCC(F)(F)CC2)[C@H]1CO 1772595012 PANJZQZEMMNFJL-MGPQQGTHSA-N 318.408 1.973 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)CSc1nncs1 5101237 XDUJNUGHRSERIL-UHFFFAOYSA-N 302.425 1.003 0 40 DDAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2S(C)(=O)=O)cc1 12085398 VBDMHRJWICNVNA-XUJVJEKNSA-N 311.403 1.887 0 40 DDAB COCCn1c(=O)n(Cc2ccc(OC)cc2)c2cccnc21 12117497 ZLSGSNGWDWUKOF-UHFFFAOYSA-N 313.357 1.901 0 40 DDAB Cc1nccn1CCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 12147305 FQONGUYBFCQGDT-QGZVFWFLSA-N 312.373 1.891 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1coc2ccccc2c1=O 19576034 FHHUJWKASGMLKV-AEGPPILISA-N 314.385 1.432 0 40 DDAB CN1CCC2(CC1)CN(CC(=O)O)C(=O)c1ccccc1O2 19588404 YHXJQAVENRSZGM-UHFFFAOYSA-N 304.346 1.070 0 40 DDAB CCc1nnc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)s1 5911990 PFJZSYASJYMTAV-UHFFFAOYSA-N 303.299 1.599 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1 1889068342 IOHJDKXFKKMRDE-NSHDSACASA-N 315.295 1.584 0 40 DDAB O=C(c1ccco1)N1[C@H]2CC[C@H]1CN(C(=O)C1(F)CCC1)C2 1565546966 HZZMTVOELZOXAB-RYUDHWBXSA-N 306.337 1.987 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1ccc(F)cc1F)OCC 4583690 OIJCDSDSBSQMND-UHFFFAOYSA-N 316.304 1.419 0 40 DDAB CC(C)CNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C 13006851 XJPYBWFGILODKG-UHFFFAOYSA-N 317.433 1.500 0 40 DDAB CC(C)C(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055730113 BFYOQVWURWLWFX-GFCCVEGCSA-N 307.394 1.136 0 40 DDAB O=C(N1CCCC1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 2055718008 UJBCVNHRRAIPGT-PBHICJAKSA-N 317.389 1.625 0 40 DDAB CCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055714518 FJQOBZPZBPAGEL-LBPRGKRZSA-N 318.421 1.596 0 40 DDAB CC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 2055835302 QXANUHIWNUKEEN-OAHLLOKOSA-N 302.334 1.178 0 40 DDAB Cc1cc(N2CCC(N(C)c3ccccn3)CC2)n2ncnc2n1 1889133937 FWUPEVYMQSTPFD-UHFFFAOYSA-N 323.404 1.933 0 40 DDAB Cc1nccc(N2CC[C@](F)(C(=O)Nc3cccnc3)C2)n1 2086861100 HRPOLDLSFCQNDL-OAHLLOKOSA-N 301.325 1.737 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCCn1cc(-c2ccoc2)cn1 575616207 XTSUHSHDAJEHLR-UHFFFAOYSA-N 313.361 1.923 0 40 DDAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N2CCOC2=O)C1 618257553 XSNFXBPELDBDOT-NWDGAFQWSA-N 322.336 1.646 0 40 DDAB Cn1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1=O 40496665 WVBBOZDKBIPZFU-CQSZACIVSA-N 315.373 1.545 0 40 DDAB COc1cccc(C(=O)Cn2nnn(-c3cccs3)c2=O)c1 40494168 DFJTZTUVNRIYNL-UHFFFAOYSA-N 316.342 1.382 0 40 DDAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(CC2CC2)C1 40508565 RTTQWCYDRUKNOB-JTQLQIEISA-N 305.403 1.829 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H]1COc2ccccc2O1 40520706 SZOQCJNXNKUOEX-ZDUSSCGKSA-N 316.361 1.412 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cccc(N2CCNC2=O)c1 40553467 IKPPJTPVPFGOOX-UHFFFAOYSA-N 313.361 1.222 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 40512147 MPWRAXQUISRTTN-CABZTGNLSA-N 309.329 1.703 0 40 DDAB O=C(COC1CCCC1)N[C@H]1CCCN(c2ncccn2)C1 40553773 JCYKRUOBDFWVKK-ZDUSSCGKSA-N 304.394 1.521 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C/c1ccnn1C 31887245 MXVWUUOZAIWNMT-FNORWQNLSA-N 319.386 1.784 0 40 DDAB N=c1c2nc(-c3ccco3)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100945743 NLIAJIBDRFBZOR-UHFFFAOYSA-N 321.296 1.142 0 40 DDAB CCOc1c(OC)cccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101347895 CQBWBZNGXMIVAH-NSHDSACASA-N 316.317 1.669 0 40 DDAB CC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 422365 AZTDHXGNQVKCJK-UHFFFAOYSA-N 317.374 1.574 0 40 DDAB Cn1cc(/C=C/C(=O)N2CCN(C(=O)C3CCCC3)CC2)cn1 29325339 QJUOABCMKGWAJH-VOTSOKGWSA-N 316.405 1.294 0 40 DDAB CCCCN1CCC(NS(=O)(=O)C[C@@H]2CCCCO2)CC1 68902229 UQUNKVDZEJPRKI-HNNXBMFYSA-N 318.483 1.739 0 40 DDAB COCCCNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO 21172797 JOXRWSXGKKNQAL-UHFFFAOYSA-N 324.768 1.179 0 40 DDAB Cc1nnc(SCc2nc3ccccc3s2)n(N)c1=O 2658336 ODVPZUOLDCVLJL-UHFFFAOYSA-N 305.388 1.563 0 40 DDAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)OC 2615850 JCLFVLNCLJPZLF-SECBINFHSA-N 308.363 1.715 0 40 DDAB O=C1CCCCCN1CCn1c(=O)[nH]c2ccccc2c1=O 46564981 GHNUALKTSNRZFC-UHFFFAOYSA-N 301.346 1.092 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 33028091 RTDQZIJFBHBGER-CYBMUJFWSA-N 319.357 1.873 0 40 DDAB Cc1cc(C(=O)NCCCN2CCCC2=O)nn1C(F)F 2733171 XKNYRFLPJIWJFU-UHFFFAOYSA-N 300.309 1.329 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 33209091 GFHFFUBZYIDTRW-JTQLQIEISA-N 314.341 1.848 0 40 DDAB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/CC(=O)O)C(=O)O2 101542624 QOWNHTGLPQWTBQ-RUDMXATFSA-N 311.315 1.170 0 40 DDAB COc1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)cn1 53337993 CJOHSCDCFBCQLD-UHFFFAOYSA-N 313.357 1.608 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)N1CCc2sccc2C1 22645031 SQBDNACQLFKYFM-SSDOTTSWSA-N 309.420 1.514 0 40 DDAB Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)N1CCOCC1 54263082 RBCCULQPGCMBTC-HNNXBMFYSA-N 318.373 1.585 0 40 DDAB CN(C)c1cc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)ccn1 47588134 MCILTBYUCXTOPM-UHFFFAOYSA-N 322.368 1.919 0 40 DDAB COc1cccc(CC(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)c1 107716348 RADWRGXBBUBMTC-YQQAZPJKSA-N 305.374 1.643 0 40 DDAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24678001 IJKQDBCHPGMANG-OAHLLOKOSA-N 324.446 1.468 0 40 DDAB O=C(c1cccc2ncccc12)N1CCN(C(=O)C2CC2)CC1 25169778 GVMRIOCFVSTRKD-UHFFFAOYSA-N 309.369 1.929 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)o1 47932935 FNBRADWCWDHFAB-UHFFFAOYSA-N 320.370 1.389 0 40 DDAB COc1ccc(NC(=O)NC[C@H](O)COc2ccccc2)cn1 48019058 ACIRJVDJPCOILJ-ZDUSSCGKSA-N 317.345 1.652 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 48009613 AGNRFSXDZIRGTE-LLVKDONJSA-N 323.374 1.037 0 40 DDAB Cc1cc2nnc(SCC(=O)NC(N)=O)n2c2ccccc12 1940195 PUOZEBFTOGIMQB-UHFFFAOYSA-N 315.358 1.478 0 40 DDAB CC(C)CS(=O)(=O)CC(=O)NC[C@H]1Cc2ccccc2O1 48188224 USNNKPGJEMEVGT-CYBMUJFWSA-N 311.403 1.177 0 40 DDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc2[nH]cnc2c1 48288986 LMNZROKPNUDMNZ-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB Cc1ccccc1C1(CNC(=O)N[C@H]2CC(=O)N(C)C2)CC1 79023402 OHQXTMMDVVNIGO-ZDUSSCGKSA-N 301.390 1.557 0 40 DDAB CCCc1nc(CN2CCO[C@H](Cn3cncn3)C2)cs1 70018265 FCAUNWYWYRHVEH-ZDUSSCGKSA-N 307.423 1.588 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)CSC)cc1OC 13184025 LQSRBCCZCLBEKH-SNVBAGLBSA-N 313.375 1.699 0 40 DDAB COc1cccc(CN(C)C(=O)c2ccc(O)nn2)c1OC 22753894 FFUGFPZGUTZILD-UHFFFAOYSA-N 303.318 1.472 0 40 DDAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NC1CC1 69413889 VFTCJGBHKBDENI-UHFFFAOYSA-N 316.405 1.187 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1nnn(-c2ccccc2Cl)c1C 69454356 MZLFRDZFYQBJDD-QMMMGPOBSA-N 322.752 1.520 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)N3CCOCC3)C2)c1 69490024 BLIOTJHFCLQVQF-LSDHHAIUSA-N 306.410 1.076 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2Cc2cnn(C)c2)s1 69491987 KKHHGCBMQCPBQH-FZMZJTMJSA-N 319.386 1.964 0 40 DDAB Cc1ccc(OCC(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 4302858 QLRYJBYUWYRKOZ-HNNXBMFYSA-N 311.403 1.409 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1C/C(O)=N/S(C)(=O)=O 69539212 QTMWLOQEHMQFGZ-CYBMUJFWSA-N 310.375 1.439 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)CCNCCn2cccn2)c1 69979286 KPJZZRNFSZRILN-UHFFFAOYSA-N 307.419 1.563 0 40 DDAB C[C@H](C(=O)N1CCCC1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 69630134 FOVMVJDTQGCZKI-GFCCVEGCSA-N 317.437 1.872 0 40 DDAB O=C(CN1CCN(CCSc2ccccc2)CC1)NC1CC1 69654308 KJLYCOFCHFTLRP-UHFFFAOYSA-N 319.474 1.675 0 40 DDAB O=S1(=O)C=C[C@H](Nc2ncnc3sc4c(c23)CCC4)C1 6541597 ZTEPJZTWYXDDIV-QMMMGPOBSA-N 307.400 1.903 0 40 DDAB O=C1c2ccccc2C(=O)N1Cn1nnc(-c2ccccc2)n1 6507573 DNVGLOIYMFSAPZ-UHFFFAOYSA-N 305.297 1.594 0 40 DDAB COc1ccccc1CNC(=O)c1nc2ccccc2c(=O)[nH]1 20734660 OZWHBVHTVRIAKT-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CC(C)(C)SCC(=O)NCc1ccc(S(N)(=O)=O)cc1 6628087 JKFDDNZSWUKDCC-UHFFFAOYSA-N 316.448 1.482 0 40 DDAB C[C@@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccccc1 5673667 PRQWDYFXZKXSNK-CYBMUJFWSA-N 323.356 1.919 0 40 DDAB O=C(NCC(=O)N1CCc2ccccc21)c1ccc2c(c1)OCO2 15563538 RFXSTSWDKWLLES-UHFFFAOYSA-N 324.336 1.734 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)O)CC2 8879315 MWNCBAJQKSXHQO-UHFFFAOYSA-N 308.334 1.246 0 40 DDAB biogenic CCN1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9015961 CWECJQUIXGBIGT-INIZCTEOSA-N 301.346 1.072 0 40 DDAB CC[C@@H]1CN(C(=O)COc2cccc(-n3ccnc3)c2)CCO1 81182136 VNISBLBWALNZSL-OAHLLOKOSA-N 315.373 1.889 0 40 DDAB C[C@@H](O)CNc1nc(N2CCOCC2)nc2c1SCCC2 9341058 UDAIWDSNIVAHCH-SNVBAGLBSA-N 310.423 1.144 0 40 DDAB COC(=O)[C@@H]1CN(Cc2cn(C)nc2C(C)(C)C)C[C@@H](C)O1 97034012 AQWYHSLDWPEUFC-YPMHNXCESA-N 309.410 1.480 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC(Nc2cccnn2)CC1 71863333 JQRQJCVBHJSAFS-UHFFFAOYSA-N 301.350 1.798 0 40 DDAB CC(C)Oc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 71829572 UHESREIFKXETBK-YPMHNXCESA-N 305.378 1.595 0 40 DDAB COCCCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863704 IRUZXIWBVLKDMY-MRXNPFEDSA-N 306.406 1.291 0 40 DDAB Cc1cc(C(=O)N[C@@H](CO)c2ccccc2)c2cnn(C)c2n1 97047554 WBIUHBDZNOHGEO-HNNXBMFYSA-N 310.357 1.740 0 40 DDAB O=C(Nc1nnn[nH]1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 72294767 DNUUAIPQDGYDIM-JGVFFNPUSA-N 313.239 1.841 0 40 DDAB COc1ccsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 83984406 FDZKXFUBHHTOBA-NWDGAFQWSA-N 310.419 1.428 0 40 DDAB CCc1nnc2n1CCN(CC[S@](=O)c1ccccc1)C2 72253014 SCTKEJCBSJDPKG-OAQYLSRUSA-N 304.419 1.464 0 40 DDAB Cc1ccccc1OC[C@@H](O)Cn1nnnc1-c1ccccn1 72294898 RBAVIKBDGQAQGF-ZDUSSCGKSA-N 311.345 1.483 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)no1 97106877 ZQNIZVWPFVDTOU-ZDUSSCGKSA-N 319.748 1.950 0 40 DDAB Cc1nn(CCO)c(C)c1CNCCNC(=O)c1cccs1 97159856 KJFYVONUIQVOED-UHFFFAOYSA-N 322.434 1.073 0 40 DDAB O=C(NCc1ccncc1)c1ccc(-n2cnnn2)cc1Cl 94993050 QYROYZOLXVUKAO-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB COCc1nc(CN2CCN(Cc3noc(C)n3)CC2)cs1 72632039 VDKMRQGIWDPYHA-UHFFFAOYSA-N 323.422 1.299 0 40 DDAB CC[C@@H](C)CS(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 95399831 LXWQEPTYLPBENX-ZIAGYGMSSA-N 320.499 1.387 0 40 DDAB Cc1cc(F)cc(S(=O)(=O)N(CCO)Cc2cccnc2)c1 95433007 AYOIRLLBMBTOQV-UHFFFAOYSA-N 324.377 1.712 0 40 DDAB O=C(Cn1ncc2ccccc21)N[C@H]1CN(c2ccccc2)C1=O 95469343 OTIROSNQPOVPKS-HNNXBMFYSA-N 320.352 1.568 0 40 DDAB O=C(Nc1cc(N2CCNC2=O)ccc1Cl)[C@H]1CCCO1 95958533 GLTDNAYPXDANJO-GFCCVEGCSA-N 309.753 1.987 0 40 DDAB NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(N)cc2)CC1 95971684 VWQYHNJSCPWZPL-UHFFFAOYSA-N 323.396 1.928 0 40 DDAB CC(C)(C)n1ccnc1SCC(=O)N[C@@H]1C=C[C@H](CO)C1 95976843 KCDRXLOAGLCZJG-NWDGAFQWSA-N 309.435 1.783 0 40 DDAB O=C(Nc1ccccc1F)C(=O)N[C@@H]1CCN(C2CCCC2)C1 75134241 GKVFIZCPJIQGAG-GFCCVEGCSA-N 319.380 1.897 0 40 DDAB CNC(=O)[C@@H](NC(=O)[C@@H](C)c1ccc2c(c1)OCCO2)C(C)C 89775877 IWXHFQBWAVEGJB-NHYWBVRUSA-N 320.389 1.448 0 40 DDAB CCN(Cc1nonc1C)S(=O)(=O)c1c(C)noc1C 28232865 KNJPXIQHJRTCCV-UHFFFAOYSA-N 300.340 1.194 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306135238 OLKPVGUADBILIS-UPJWGTAASA-N 320.364 1.873 0 40 DDAB C[C@H](CS(C)(=O)=O)N(C)c1nc(C(F)(F)F)ns1 548090021 KUDUCQOJIBECRM-RXMQYKEDSA-N 303.331 1.426 0 40 DDAB COc1ccc(Br)cc1S(=O)(=O)NCCCO 32603617 RBJBUOBGEGAZMS-UHFFFAOYSA-N 324.196 1.118 0 40 DDAB CN1CCN(c2nccn3cnnc23)[C@@H](Cc2ccccc2)C1 521396639 NRUSXVHVUOTVPR-HNNXBMFYSA-N 308.389 1.487 0 40 DDAB Cc1noc(C[C@@H]2CCCN(C(=O)NCc3ccon3)C2)n1 1553197723 YIIYAXJEAOFYGK-NSHDSACASA-N 305.338 1.530 0 40 DDAB CCn1cc(S(=O)(=O)N(C)c2ccccc2C(=O)O)nc1C 315239676 LSEXFCYDKABIGA-UHFFFAOYSA-N 323.374 1.735 0 40 DDAB CCN(C[C@@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C 79409720 KBAOATBUUZVOSJ-STQMWFEESA-N 313.442 1.829 0 40 DDAB CN(C)c1nc(C(=O)N2CCCC23CCCCC3)[nH]c(=N)n1 566404196 POSFPEKEXIIPQF-UHFFFAOYSA-N 304.398 1.289 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@@H]1c1ccccc1 72238030 UNBJQEILJSQWFQ-UONOGXRCSA-N 301.302 1.212 0 40 DDAB CN(C)c1cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)ccn1 72369432 IKBNHJAROXDXRM-MRXNPFEDSA-N 316.449 1.949 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)o1 32827145 JTLXYNKHJYGLSA-UHFFFAOYSA-N 320.370 1.733 0 40 DDAB CC1CCN(S(=O)(=O)c2cnn(-c3ccccn3)c2)CC1 72239018 LJUCKQHWQHNXDS-UHFFFAOYSA-N 306.391 1.688 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cnccn2)CC1 562679300 PYQHQEXWCPCDLB-UHFFFAOYSA-N 321.384 1.916 0 40 DDAB CCOC(=O)CN(C)C(=O)CN(CCc1ccccn1)C1CC1 521393718 CHLQDQTYJNOVAS-UHFFFAOYSA-N 319.405 1.110 0 40 DDAB N[C@H](C(=O)Nc1cn(Cc2ccccc2)nn1)C1CCOCC1 563096849 MEIYCBDSCUCNAB-HNNXBMFYSA-N 315.377 1.019 0 40 DDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1O 85877247 UCFXRVMRQNCYER-JTQLQIEISA-N 301.298 1.839 0 40 DDAB biogenic COc1ccc2nnc(C(=O)Nc3c(C)nn(C)c3C)nc2c1 46088255 SSJKJNUMSVKCBQ-UHFFFAOYSA-N 312.333 1.636 0 40 DDAB C[C@@H](C(=O)NCc1ccncc1)n1nnc2ccccc2c1=O 44450491 SBIWMIZFJDZKLS-NSHDSACASA-N 309.329 1.064 0 40 DDAB Cc1n[nH]c(SCCNC(=O)c2ccc3c(c2)ncn3C)n1 225891093 HGZYLGHRQPCRLW-UHFFFAOYSA-N 316.390 1.522 0 40 DDAB C[C@@H]1CN(Cc2ccc(-c3ccccn3)nc2)C[C@@H](C(N)=O)O1 570039611 QILSXTPRQZBDCZ-WBMJQRKESA-N 312.373 1.218 0 40 DDAB COc1c(N)ncnc1N1CCC[C@@H](Cc2noc(C)n2)C1 571224512 AISKUYLUPHRFJK-JTQLQIEISA-N 304.354 1.218 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(C(F)(F)F)c1 195578148 PTQLUCGPBPUNLD-NWDGAFQWSA-N 321.270 1.953 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCCN1CCCC1=O 222439790 BACRQQONENZAGR-NEBZKDRISA-N 320.389 1.028 0 40 DDAB CCc1ccc(O[C@@H](CC)C(=O)NCCN2CCOCC2)cc1 222889579 VUIHEIXKLFRYNX-KRWDZBQOSA-N 320.433 1.855 0 40 DDAB CC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 333883012 UZYDKLPSTHGEED-OAHLLOKOSA-N 304.390 1.948 0 40 DDAB CCC[C@@H](NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)O 195551776 AKTUFVOJXKMCNH-GFCCVEGCSA-N 305.309 1.995 0 40 DDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2CC2CCOCC2)O1)N1CCCO1 96057577 HVVRYVDLHNAPFN-BZUAXINKSA-N 324.421 1.199 0 40 DDAB Cc1cccc(CN2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)n1 96182254 RXXIZYDDKRRZDO-CALCHBBNSA-N 322.412 1.989 0 40 DDAB O=C(c1ccoc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108829 RAOCKCJURWKOEC-PBHICJAKSA-N 314.341 1.842 0 40 DDAB CS(=O)(=O)CC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 330715001 SSPNSQMMBPKIGB-NSHDSACASA-N 301.795 1.701 0 40 DDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cn1 96108819 QQOLGNCJVCGLKS-WBVHZDCISA-N 314.389 1.343 0 40 DDAB Cc1nc(CN2CCC3(C2)CN(Cc2cnn(C)c2)C3)cs1 96046420 BXLJEOFAJRWSFG-UHFFFAOYSA-N 317.462 1.893 0 40 DDAB C[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[C@H]1CN(C)CCO1 97234300 OATBAUVGGWNIJA-NWANDNLSSA-N 321.425 1.365 0 40 DDAB CCOCC(=O)N1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96158353 PEEGBZCVZHOEAO-MRXNPFEDSA-N 322.384 1.471 0 40 DDAB CC(=O)N1CCN(Cc2ccsc2)C[C@@]2(CC(=O)N(C)C2)C1 96036035 VRZCQFGCNPDRDT-INIZCTEOSA-N 321.446 1.261 0 40 DDAB C[C@H](C(=O)N(C)[C@H](C)CS(C)(=O)=O)[C@H](N)c1ccccc1 230456653 CYUQJCKGOSBDPD-DYEKYZERSA-N 312.435 1.214 0 40 DDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncccn2)cn1 96200257 ZXPABBIXBBKDOC-JKSUJKDBSA-N 313.405 1.827 0 40 DDAB CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)[C@H]3CCOC3)[C@H]2C1 96156966 NZJOCLADXBPEJC-OSMBCOQSSA-N 314.385 1.456 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@H]2C1 96043142 DGHCOXHKHVCXGV-MJBXVCDLSA-N 323.462 1.956 0 40 DDAB C[C@@H]1CN([C@H]2CCOC2)C[C@]12CCN(Cc1cccnc1)C2=O 96201734 AREMJOCEMOTUAO-UWWQBHOKSA-N 315.417 1.541 0 40 DDAB O=C(CCn1cnnn1)NCCc1c[nH]c2ccc(F)cc12 524733293 LGSDLNNCHSKYJT-UHFFFAOYSA-N 302.313 1.043 0 40 DDAB C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1 249208761 SEIRROIKJQDMQY-FZMZJTMJSA-N 321.808 1.974 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cn(C)nc2C)C1 257300006 RSNMKLCXYLSCOO-ZDUSSCGKSA-N 301.394 1.855 0 40 DDAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)C2 41838380 KNFCPUNIQYXRFY-GXTWGEPZSA-N 304.415 1.736 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3cnccn3)CCO2)n1 257314935 UZFFGDFUPJFLQW-CQSZACIVSA-N 313.361 1.151 0 40 DDAB CN1c2ccc(NC(=O)c3ccno3)cc2N(C)S1(=O)=O 253472556 NMFXPLXESNTFBR-UHFFFAOYSA-N 308.319 1.058 0 40 DDAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2cncn2C)n1 257274185 NJWWXJZBLCOVQB-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB Cc1nc(CC(=O)N2CCO[C@H](c3ccncc3)C2)cs1 257228741 FVAQUXQBJIZYIG-AWEZNQCLSA-N 303.387 1.989 0 40 DDAB CN(C(=O)CN1CCCC1=O)[C@H]1CCCN(c2ccccn2)C1 257267410 MHEREELYDIAMQM-AWEZNQCLSA-N 316.405 1.131 0 40 DDAB COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 393935392 QARAPVPUHRWYFE-UHFFFAOYSA-N 306.167 1.710 0 40 DDAB CCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)C2 575405049 QWVYNAUXBLHTHT-LBPRGKRZSA-N 312.391 1.040 0 40 DDAB CCOc1ccccc1N1CCN(C(=O)c2cc[nH]n2)CC1 44917798 RXOOWANEVSPABL-UHFFFAOYSA-N 300.362 1.771 0 40 DDAB CC(=O)Nc1ccc2c(CN3C(=O)CCC3=O)cc(=O)oc2c1 57692338 NXBAWVMDTFWIEM-UHFFFAOYSA-N 314.297 1.400 0 40 DDAB COc1ccc(C(C)=O)cc1CN(C)[C@@H]1CCCCNC1=O 58370762 XPWBQEFXNSIGKF-OAHLLOKOSA-N 304.390 1.998 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3ccsc3)CC2)n1 69512569 SCIMPRHDPGYPNE-UHFFFAOYSA-N 318.402 1.899 0 40 DDAB c1ccc(Cc2noc(CN3CCC[C@@H]3Cn3cncn3)n2)cc1 69601276 TWLYOCLMDZAUHY-OAHLLOKOSA-N 324.388 1.917 0 40 DDAB Cc1nnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)o1 69738574 WQUWIVYKTLXKNY-OAHLLOKOSA-N 302.378 1.229 0 40 DDAB O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 108654818 ZIBKHZJLVZZJSF-CHWSQXEVSA-N 318.377 1.016 0 40 DDAB CC(C)(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NS(C)(=O)=O 97034688 VUMOUPRIIWWLRO-XQQFMLRXSA-N 316.467 1.252 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1cc(C)cc(C)c1 5019662 NZDMIFRSCWWTMV-AATRIKPKSA-N 305.330 1.904 0 40 DDAB O=C(NCCc1csc2ncnn12)c1ccc2c(c1)OCO2 5451697 PSKCAMAGZDELLM-UHFFFAOYSA-N 316.342 1.492 0 40 DDAB COc1ccc(O[C@H](C)C(=O)NCCCn2ccnc2)cc1 14396656 GTCTZEVAVFIJGG-CYBMUJFWSA-N 303.362 1.866 0 40 DDAB C[C@@H](C(=O)N[C@@](C)(CO)C1CCCCC1)N1CCSCC1 153059991 QQHWCOIFNDHVMW-BBRMVZONSA-N 314.495 1.871 0 40 DDAB C[C@H]1C[C@@H](C)CN(c2nc(NCCO)c3cnn(C)c3n2)C1 17245024 JGTXLMMEWBHLGW-PHIMTYICSA-N 304.398 1.250 0 40 DDAB Cc1cc(NC(=O)c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011651 MMKIWUSGVZUZAQ-CYBMUJFWSA-N 319.386 1.803 0 40 DDAB Cn1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1=O 1888842679 PZIBHTGIAYURCF-CABCVRRESA-N 311.385 1.166 0 40 DDAB O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1C[C@H]1CCCOC1 1888869415 KYPRPZJYRHKTQA-LLVKDONJSA-N 322.311 1.704 0 40 DDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689022 FQCBVDLNEZPTSW-UHFFFAOYSA-N 319.292 1.026 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)[C@H]1CCCO1 1776009251 BOGOBIQLILIMLC-LLVKDONJSA-N 304.375 1.175 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](C)CO1 40501703 QFPWWYZXBGVEJW-MNOVXSKESA-N 324.402 1.369 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)CC1CCCC1)c1cccs1 548198124 FMLBLYXZERBNGT-NSHDSACASA-N 303.405 1.983 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@]21C(=O)N1CCCC1 2056224917 GNVQPSQWUVVDFC-MLGOLLRUSA-N 303.337 1.448 0 40 DDAB CN1CCN(c2nc(Nc3ccccc3)c3nccnc3n2)CC1 9075148 GZWDZNXYZDHMCQ-UHFFFAOYSA-N 321.388 1.915 0 40 DDAB Cc1nn(C)c(Cl)c1CNCC(C)(C)N1CCN(C)CC1 30664137 RXZRLTSHYCMSHO-UHFFFAOYSA-N 313.877 1.498 0 40 DDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCS(C)(=O)=O 40543000 PGQGHBCJWGRUMN-UHFFFAOYSA-N 324.406 1.095 0 40 DDAB CCOc1ccc(C(=O)NC[C@@H]2CCN(CCOC)C2)cc1 68493839 PVTDZFMDTMCCGP-AWEZNQCLSA-N 306.406 1.783 0 40 DDAB C[C@@H]1CN(CCS(=O)(=O)Oc2ccccc2)CC(C)(C)O1 68477949 QHBOPMDNHVURQJ-CYBMUJFWSA-N 313.419 1.895 0 40 DDAB CCOCCN1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 69700552 YFHRLNZNMUDJBJ-INIZCTEOSA-N 311.470 1.432 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccco1 101572270 RSBHXLBKJYNYHB-IMIFBBOLSA-N 314.341 1.207 0 40 DDAB Cc1nc(C(=O)NC[C@@H](C)N(C)C)nn1-c1ccc(F)cc1 46272833 ZNYJXOFNGBYCKX-SNVBAGLBSA-N 305.357 1.395 0 40 DDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 2633040 IUKNUIPYYGWRKE-SECBINFHSA-N 319.766 1.496 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4354475 RFXLAFBMVCLYPX-RQJABVFESA-N 303.314 1.678 0 40 DDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CC[C@@H](C(N)=O)C1 41132515 KEJLPQWUIZYGQZ-LLVKDONJSA-N 304.394 1.463 0 40 DDAB NC(=O)CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2 4908225 FIEWBQWRFAQKJK-AGUYFDCRSA-N 302.378 1.289 0 40 DDAB COc1ccc(C2=NC[C@H](CSc3nnnn3C)S2)cc1 2659533 YPXDYYIFQHURJK-LLVKDONJSA-N 321.431 1.873 0 40 DDAB CN(C)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7798742 CIFFRUFGFRQDRY-UHFFFAOYSA-N 303.391 1.855 0 40 DDAB Cc1ccccc1C(=O)OCCc1c(C)[nH]c2ncnn2c1=O 100330194 OETGKEJOMNQRTE-UHFFFAOYSA-N 312.329 1.434 0 40 DDAB COC(=O)[C@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2CC1 32900129 OWBAUHBHOWRTQI-OAHLLOKOSA-N 321.398 1.941 0 40 DDAB COc1cccc([C@@H]2CCCN2C(=O)CN2CSCC2=O)c1 41934038 JVUNGRYXGCDFKM-AWEZNQCLSA-N 320.414 1.892 0 40 DDAB CN(C)CCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12321669 SPONCHLEDQZGJT-UHFFFAOYSA-N 313.361 1.899 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2nc(-c3cccnc3)no2)n1 12389763 MIPCAOAEGUGJNP-UHFFFAOYSA-N 312.333 1.375 0 40 DDAB O=C(NCCNc1cnccn1)c1ccc(C(F)(F)F)nc1 47492762 COIIYOXSWAEYAD-UHFFFAOYSA-N 311.267 1.732 0 40 DDAB O=C(CN1CCN(Cc2ccco2)CC1)NCc1ccccc1 22752679 UPROXKWWGOQBOX-UHFFFAOYSA-N 313.401 1.714 0 40 DDAB C[C@H](c1ccc(F)cc1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 54417934 FFIKBSCJFJOSOQ-SNVBAGLBSA-N 315.352 1.989 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23742594 QWSJRFDASSPVTP-UHFFFAOYSA-N 323.823 1.975 0 40 DDAB CNC(=O)CNC(=O)c1cnn(Cc2ccccc2)c1C(C)C 42884214 CDVXPTDMVKMJNC-UHFFFAOYSA-N 314.389 1.531 0 40 DDAB O=C(NCCn1ccnc1)NC[C@H]1COc2ccccc2C1 43312110 VMQWUZBFUGHPLI-ZDUSSCGKSA-N 300.362 1.434 0 40 DDAB Cc1occc1CN(C)C(=O)c1ccc(OCC(N)=O)cc1 55474484 LPZGBJOTABYJIH-UHFFFAOYSA-N 302.330 1.724 0 40 DDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccnc(-n2cncn2)c1 55996636 QEQGGZSVKGMQFH-UONOGXRCSA-N 312.377 1.019 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 102599149 OLHMEUBJVMFKGS-WYUUTHIRSA-N 320.732 1.147 0 40 DDAB CN1CCN(C(=O)NCc2cnn(C)c2)[C@@H](c2ccccc2)C1 54809180 PMFLLFYUOWYPNJ-MRXNPFEDSA-N 313.405 1.618 0 40 DDAB CC[C@@H](C(=O)NCCN1CCCS1(=O)=O)c1ccccc1 58135895 DPOBGOCVNKXPIV-CQSZACIVSA-N 310.419 1.332 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2=COCCO2)c1 58264246 PMUSKVXEJDCRQB-UHFFFAOYSA-N 317.750 1.570 0 40 DDAB O=C(Cn1cccn1)N1CCC[C@@H]1c1nnc2n1CCCCC2 48232263 GSCNNRUHRWGJKM-CYBMUJFWSA-N 314.393 1.565 0 40 DDAB O[C@@H](CNc1cncc(-n2cccn2)n1)COc1ccccc1 48231480 NKXFKKDORQZBIY-ZDUSSCGKSA-N 311.345 1.514 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1Cc1cc(=O)n2ccsc2n1 3505659 IRJFSZLVBQXXRX-UHFFFAOYSA-N 318.358 1.121 0 40 DDAB O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 3887217 IEMGTWXFCBVWDG-TZMCWYRMSA-N 321.354 1.048 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 69372066 ABLQRTLUVWEQHS-WBVHZDCISA-N 317.389 1.024 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 13263065 FQLCHGSRMXCJCN-GFCCVEGCSA-N 311.359 1.375 0 40 DDAB C[C@H](C(N)=O)S(=O)(=O)Cc1ccc(Br)s1 49413549 PYJUUDMSMNPYDZ-RXMQYKEDSA-N 312.210 1.299 0 40 DDAB c1ccc(OC[C@@H]2CN(c3ncccn3)Cc3cncn32)nc1 306144611 ZKEVLRXBORABLY-AWEZNQCLSA-N 308.345 1.708 0 40 DDAB O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCOCC1 5017727 ZCFSZFAJHIAKAN-UHFFFAOYSA-N 310.404 1.484 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@@H]2CCc3nccn3C2)n1 65463082 DZTGXBAGUJSZRN-LLVKDONJSA-N 303.366 1.453 0 40 DDAB Cc1nnc2n1C[C@H](NCc1ccc(-n3cccn3)cc1)CC2 65553400 IWBYCEUPUCIDOP-OAHLLOKOSA-N 308.389 1.877 0 40 DDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CN1CCO[C@H](C)C1 14169039 VVDRXZYBBATMFL-YIYPIFLZSA-N 311.426 1.358 0 40 DDAB CN(Cc1ccccc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452497 XFJCSQIPDRWNRY-UHFFFAOYSA-N 309.325 1.489 0 40 DDAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)CNC(=O)C2CC2)C1 69619926 SXUBFPRZEVUDAO-CYBMUJFWSA-N 309.454 1.529 0 40 DDAB COCCNC(=S)N1CCN(c2cccc(Cl)c2)CC1 5570008 OOAYSKJYCGKWGT-UHFFFAOYSA-N 313.854 1.983 0 40 DDAB CCCC(=O)N1CSC[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 66265381 RQXQWGWWRPUGSZ-LBPRGKRZSA-N 318.402 1.625 0 40 DDAB O=C1CCCC[C@H]1N(C(=O)CCn1cnnn1)c1ccccc1 4744688 DYADEULJJQOTOR-CQSZACIVSA-N 313.361 1.608 0 40 DDAB O=c1c(-c2ccccc2)nnc2sc(-c3cnccn3)nn12 6758204 WLNWYAFFQXOKNL-UHFFFAOYSA-N 308.326 1.670 0 40 DDAB NC(=O)Cc1cccc(NC(=O)Cc2ccccc2C(=O)O)c1 70666596 IHOKHYQJYTUJCU-UHFFFAOYSA-N 312.325 1.594 0 40 DDAB biogenic NC(=O)Cn1cc(Nc2nc(C(F)F)nc3ccccc23)cn1 66454534 MSIDIDDHSBNDLA-UHFFFAOYSA-N 318.287 1.993 0 40 DDAB CCCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 8715969 VSQIFLUGHSDSJF-VIFPVBQESA-N 322.386 1.802 0 40 DDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)cc(F)c1 6993188 YUYIZTNUVRDGFT-UHFFFAOYSA-N 323.299 1.864 0 40 DDAB Nc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccco1 7031600 GQTYZUBXXBJCPB-UHFFFAOYSA-N 308.721 1.988 0 40 DDAB Cc1ccccc1CCNC(=O)COc1ccccc1C(N)=O 18266175 FESZRDBGUCNUEG-UHFFFAOYSA-N 312.369 1.832 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)c1 7400348 XMGFLWULFGOALH-QGZVFWFLSA-N 315.373 1.962 0 40 DDAB Cc1ocnc1CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007777 IKSOUFSPURTQFJ-UHFFFAOYSA-N 321.280 1.875 0 40 DDAB CC(=O)SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 9320496 YMEOZYKYFMLRNW-UHFFFAOYSA-N 312.416 1.944 0 40 DDAB COc1c([C@@H]2CCCN2CC(=O)N[C@@H](C)C2CC2)c(C)nn1C 72267607 FSKNXWIOBNHRKD-FZMZJTMJSA-N 320.437 1.789 0 40 DDAB CN1C[C@H](NC(=O)NCC2(C)Cc3ccccc3C2)CCC1=O 94035904 TVZUNHAUWQNBPR-OAHLLOKOSA-N 315.417 1.712 0 40 DDAB Cc1cc(N[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)ccc1F 96437049 FGPZWCPUKTXKNV-NSHDSACASA-N 307.369 1.672 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)nc2)CC1 96426666 GYTZONHDNIGEBY-ZYHUDNBSSA-N 307.781 1.675 0 40 DDAB O=S1(=O)CC[C@H](N(Cc2nnsc2Cl)C2CC2)C1 71892947 VINMANQEPARXOB-QMMMGPOBSA-N 307.828 1.343 0 40 DDAB C[S@](=O)c1nncn1CC(=O)N(Cc1ccccc1)C1CC1 71899913 ZKPLDVKCBOURRO-JOCHJYFZSA-N 318.402 1.207 0 40 DDAB CCOc1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 71841662 JXCVFUGQGUTGIN-ZDUSSCGKSA-N 318.377 1.110 0 40 DDAB Cc1ccc2ncc(C(=O)N3C[C@H](C)OC[C@@H]3C)c(=O)n2c1 71800831 PRSDFFDZQYKUOP-RYUDHWBXSA-N 301.346 1.252 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1ccco1)C2 71860228 LDLIOOKUVGNXTI-QWHCGFSZSA-N 312.373 1.824 0 40 DDAB CN1CCN([C@H](c2ccccc2)c2nnnn2C(C)(C)C)CC1 19973687 CYPGWFHXLMMFES-OAHLLOKOSA-N 314.437 1.765 0 40 DDAB CCNS(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1 71914600 IQQILBUFZQTFIR-CYBMUJFWSA-N 324.381 1.491 0 40 DDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)no1 72232151 MDLPGIVTULPKOV-NEPJUHHUSA-N 318.381 1.752 0 40 DDAB Cn1cc(CN2CCCN(C(=O)CC[C@H]3CCCO3)CC2)cn1 72279825 JJQSGLQTJNDBEF-MRXNPFEDSA-N 320.437 1.414 0 40 DDAB O=C(Cn1cnnn1)N[C@@H]1COc2c1ccc(Cl)c2Cl 72302964 VROQEYCYZIIWPK-MRVPVSSYSA-N 314.132 1.230 0 40 DDAB O=C(OCCn1nc2ccccn2c1=O)c1ccn2cncc2c1 97230978 ZOMYITAJKRKLCD-UHFFFAOYSA-N 323.312 1.001 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc3c(C)cccn23)C1 97235587 TYYCDGUEHMBWIC-AWEZNQCLSA-N 322.434 1.156 0 40 DDAB COC(=O)CN1CCCN(C(=O)Nc2cccc(C)c2)CC1 97473434 FJERSNHMKAEVTA-UHFFFAOYSA-N 305.378 1.708 0 40 DDAB NC(=O)[C@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)c1ccccc1 95453275 IMIOVEITWMBYTR-CQSZACIVSA-N 321.340 1.428 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCN(C(C)C)C1=O 88559996 DTBSPCNHZQJMLN-STQMWFEESA-N 305.426 1.664 0 40 DDAB CN(C)CCC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 95993326 UMULPXGEKJYOOV-OAHLLOKOSA-N 318.483 1.549 0 40 DDAB CCNC(=O)CNC(=O)CCN1c2ccccc2CC[C@H]1C 78965235 BGLKYYYBMJOLIW-CYBMUJFWSA-N 303.406 1.470 0 40 DDAB CSCC(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 79018510 XMVFMACOXKPVGR-GFCCVEGCSA-N 320.336 1.885 0 40 DDAB CCc1n[nH]c([C@@H]2CN(Cc3csc(COC)n3)CCO2)n1 89289850 KZLFUFUZODCUGM-NSHDSACASA-N 323.422 1.544 0 40 DDAB CN(C)CCC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 89314236 ZZBZKTIGRZQWDQ-UHFFFAOYSA-N 317.389 1.480 0 40 DDAB Cc1nccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)n1 79816848 JOQXODSDCWWKHZ-CHWSQXEVSA-N 307.419 1.912 0 40 DDAB c1cnnc(N2CCC[C@H]2CNCc2nnc(C3CC3)o2)c1 75128971 XVXXGISEMMBMGD-LBPRGKRZSA-N 300.366 1.496 0 40 DDAB Cc1ccc(-n2cc(C(=O)N3CCC[C@@H]3c3ncon3)nn2)cc1 552478828 XTPSHUKJKWYQMM-CQSZACIVSA-N 324.344 1.936 0 40 DDAB CN(C)C(=O)NC[C@@H]1CN(Cc2cccnc2)Cc2cncn21 306139763 TZWWPZSDLVMJQP-OAHLLOKOSA-N 314.393 1.106 0 40 DDAB COc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)c(OC)c1 36076092 WNNOTLPMSAMPCD-SNVBAGLBSA-N 301.364 1.113 0 40 DDAB O=C(O)[C@@H](CO)N1C(=O)/C(=C/c2cccs2)SC1=S 35648653 LQQFVIWZXPUQQQ-UDGZVJEDSA-N 315.397 1.395 0 40 DDAB CCN(C)S(=O)(=O)c1cncc(Br)c1OC 72210842 JSPAPCWTZYPMJH-UHFFFAOYSA-N 309.185 1.493 0 40 DDAB Cc1cccnc1C1(O)CCN(C(=O)c2cscn2)CC1 72346586 VGMOGXKZCMZWAW-UHFFFAOYSA-N 303.387 1.970 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@@H]1c1ccc2c(c1)OCO2 218151365 XGPBHCZJTVKDJQ-SRVKXCTJSA-N 313.400 1.218 0 40 DDAB CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 565593207 KKXCZYHXPPTGAZ-HUUCEWRRSA-N 324.446 1.720 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCNc2cnccn2)c(C)c1 31584609 UJIYBJSPTODNHJ-UHFFFAOYSA-N 320.418 1.792 0 40 DDAB CO[C@H]1CNC[C@@H]1NC(=O)c1c(F)cccc1Br 124040324 GWEKTKPJRTXEEP-UWVGGRQHSA-N 317.158 1.305 0 40 DDAB COCCc1nnc(SCc2cn3cccc(C)c3n2)n1N 79107106 WDPYEIHSZOJQDV-UHFFFAOYSA-N 318.406 1.429 0 40 DDAB CNC(=O)Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71284984 QUYPKXORQOBTNJ-QWHCGFSZSA-N 304.346 1.270 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)n3cc(C)ccc3nc2=O)cc1 226822298 HGXOWXKYNKYCEJ-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB CCCCCNC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225883583 VRDMOGKWVMDEJB-UHFFFAOYSA-N 319.452 1.767 0 40 DDAB Cc1c(NC(=O)N[C@@H]2CCc3ncnn3C2)cccc1N(C)C 133412263 DWLBIZVRAIFHEV-GFCCVEGCSA-N 314.393 1.789 0 40 DDAB CCN(CC)CCNC(=O)c1cn(-c2ccc(OC)cc2)cn1 226753542 PHJAAIUJIYPEFW-UHFFFAOYSA-N 316.405 1.953 0 40 DDAB O=C(Nc1cccc(Cl)c1-n1cccn1)[C@H]1COCCO1 46777312 DYZYWGNGTVSYOF-GFCCVEGCSA-N 307.737 1.880 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)C1CC1)c1cn(C)c2ccccc12 75149229 SOTJIRZVZUZANZ-INIZCTEOSA-N 321.446 1.863 0 40 DDAB COc1ccc(C(N)=O)c(OCc2ccc(C(N)=O)cc2)c1 48231104 LHNKPXGNIPPERT-UHFFFAOYSA-N 300.314 1.472 0 40 DDAB NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958125 REASECSFPLACTP-SNVBAGLBSA-N 323.780 1.015 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)N1CCC[C@H]([C@H](C)N)C1 225636674 JOOYNIQOCQRURG-RYUDHWBXSA-N 300.399 1.882 0 40 DDAB COc1ccc([C@@H](CC(=O)NC(C)C)NS(C)(=O)=O)cc1 225954417 JETLZXMBXMCRNR-CYBMUJFWSA-N 314.407 1.200 0 40 DDAB C[C@@H](CS(=O)(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1 96482436 RTIGNBXZEHFOKV-ZDUSSCGKSA-N 322.430 1.427 0 40 DDAB CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21 96182592 MAEMKQDLWDBZFY-BMFZPTHFSA-N 303.406 1.310 0 40 DDAB CO[C@@H]1CO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 96107582 GKMQCYGTWPALSD-GUYCJALGSA-N 319.357 1.364 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 96240636 NDCKRTTYNCMHTE-CZUORRHYSA-N 308.378 1.089 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181698 GGXQBJDQZWTRKJ-LSDHHAIUSA-N 308.353 1.592 0 40 DDAB CC1(c2ccccc2)CCN(C(=O)Cn2cc(CO)nn2)CC1 95435566 SENILHOKIMJEOG-UHFFFAOYSA-N 314.389 1.351 0 40 DDAB CC(C)N1CCC(N[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 97238295 OBTODRCYDNIWHQ-LBPRGKRZSA-N 307.360 1.612 0 40 DDAB O=C(CC1CC1)N1C[C@@H]2CCN(Cc3ccncc3)C(=O)[C@H]2C1 96082035 MBEVVVMBENMXBB-HOTGVXAUSA-N 313.401 1.689 0 40 DDAB NC(=O)NCCCOC(=O)c1sccc1Br 96442274 MPAWVCRUEVXQER-UHFFFAOYSA-N 307.169 1.726 0 40 DDAB CCS(=O)(=O)NCCCNc1cncc(Br)c1 96429313 YENMJHBMVQPAAO-UHFFFAOYSA-N 322.228 1.585 0 40 DDAB Cc1nncn1CCNC(=O)[C@@H]1SCCc2ccccc21 96445331 XKIUSRGMVDJZTG-CQSZACIVSA-N 302.403 1.733 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)c1ccoc1C)CC2 96207569 KMOQLZXLBFVVMY-CYBMUJFWSA-N 306.362 1.203 0 40 DDAB Cn1ncc2c1CN(C1CCOCC1)C[C@H]2COCC1CC1 96044658 DLKIRNFAZFMBMA-AWEZNQCLSA-N 305.422 1.925 0 40 DDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1ccccc1F)C2 247837018 JNFXUKRMXPRZID-CYBMUJFWSA-N 313.394 1.461 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)CC3CCCC3)CCO2)n1 257202028 AKDWOBQQLHLRPG-CQSZACIVSA-N 305.378 1.971 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257277274 NXEGWXJDOHIJQJ-CYBMUJFWSA-N 320.418 1.686 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ncoc2C)CCO1 257249729 JJNXOROAIIVIOU-JTQLQIEISA-N 303.322 1.028 0 40 DDAB CCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)no1 257223295 DWRZVLPATKCGNH-MGPQQGTHSA-N 304.350 1.270 0 40 DDAB O=C(COc1cccc(F)c1)N1CCOC[C@@H]1c1ccn[nH]1 257291410 QGVRHZDVYGZXOC-CQSZACIVSA-N 305.309 1.528 0 40 DDAB O=C(Cc1ccsc1)NCCn1ccc(-c2cnccn2)n1 253473726 XNXKECDPUAXXGU-UHFFFAOYSA-N 313.386 1.761 0 40 DDAB COCC(=O)N1CC[C@H](c2cc(-c3cc(C)n[nH]3)nc(C)n2)C1 257244812 IMXLWWXVBNQQDG-LBPRGKRZSA-N 315.377 1.446 0 40 DDAB CO[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@]12CCCO2 257248655 JEQOQADABMEMDB-GJZGRUSLSA-N 311.403 1.645 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)NCC2CC2)C(=O)N1c1ccc(F)cc1 42245635 UKBFUVGWUQNKKP-SNVBAGLBSA-N 319.336 1.509 0 40 DDAB NS(=O)(=O)c1cccc(OC(F)(F)F)c1Br 616575214 AXNWKAAMBXIGTF-UHFFFAOYSA-N 320.086 1.995 0 40 DDAB CC(C)(CNC(=O)c1cc(O)ccc1Cl)N1CCOCC1 289776103 KQLWDFRZMSVLLR-UHFFFAOYSA-N 312.797 1.886 0 40 DDAB CO[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C[C@H]1CC(N)=O 585275597 DSJWSAHGIGGZDH-DGCLKSJQSA-N 310.781 1.693 0 40 DDAB Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/CN(C)C)C[C@H]1O 585289070 FGBCALYWGSWRKY-OKMWKSJFSA-N 316.445 1.865 0 40 DDAB O=S(=O)(c1cncc(F)c1)N1CCC[C@H]1c1ncccn1 907330771 AQVWMYWYGCBDTI-LBPRGKRZSA-N 308.338 1.537 0 40 DDAB O=C(Cc1ccccn1)N[C@@H]1C[C@H]2C[C@H]1CN2Cc1ccncc1 585110260 VQYJDOUKTPANTD-CGTJXYLNSA-N 322.412 1.798 0 40 DDAB O=C(CCc1cn[nH]c1)Nc1ccc(F)c(N2CCOCC2)c1 685939115 GJQWVMFWCXAGDF-UHFFFAOYSA-N 318.352 1.957 0 40 DDAB Cc1nc(C)c([C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 48731858 FTDAZZZLDNYWIN-WCBMZHEXSA-N 317.436 1.307 0 40 DDAB Cn1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1=O 48961768 DCUFHXQNVCDCAV-UHFFFAOYSA-N 316.741 1.979 0 40 DDAB COc1c(CNC[C@@H](O)COc2cccc(C)c2)c(C)nn1C 58405199 QNKPSTDTYRLZMG-CQSZACIVSA-N 319.405 1.575 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCCN(C(C)=O)CC1 69367111 ATADKDLQWJKPJY-HNNXBMFYSA-N 308.353 1.594 0 40 DDAB COC(=O)[C@]1(NC(=O)[C@@H]2CCCc3ccccc32)C[C@@H](O)C1 1548774394 RYISXVFPAMVZNZ-MRRJBJDNSA-N 303.358 1.289 0 40 DDAB Cn1cnc(CN2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)c1 1615192757 WZNHSVPNZVUCCL-KRWDZBQOSA-N 319.380 1.365 0 40 DDAB Cn1nc2c(c1CNS(=O)(=O)CCC(F)(F)F)CCC2 225819378 PFRUOYCPFVHHLP-UHFFFAOYSA-N 311.329 1.281 0 40 DDAB CC(C)CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 5632875 ZYOSGMKRRBMBLI-UHFFFAOYSA-N 318.826 1.878 0 40 DDAB C[C@H]1CCCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)C1 5030822 UHZUEYHZPJROHU-HRCADAONSA-N 321.417 1.936 0 40 DDAB CCOC(=O)Cn1nc2c(C)cc3ccc(OC)cc3n2c1=O 12181503 BIMYDOBMEZQGMW-UHFFFAOYSA-N 315.329 1.529 0 40 DDAB CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c(F)c(=O)[nH]2)no1 19522644 GCWIPTYSGCAAPY-NSHDSACASA-N 320.324 1.745 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccnc(N2CCCC2)n1 19575168 BBNQXGXNCUUMGX-GDBMZVCRSA-N 301.438 1.745 0 40 DDAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)N1CCCC1 205853230 APPJWSDOPRHRDZ-DHZHZOJOSA-N 305.359 1.673 0 40 DDAB COC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 104150118 KSGXXQQPLBLQBU-NUZBWSBOSA-N 315.325 1.935 0 40 DDAB C[C@@H](O)CN(Cc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 533292237 YKKPSUXIJZXMAG-CYBMUJFWSA-N 312.373 1.406 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)CC(C)C)C2)no1 585146894 DISAFBDORLLRSG-GFCCVEGCSA-N 314.407 1.658 0 40 DDAB CCC(CC)N(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 26815807 DGTWFTIDRCDZDG-UHFFFAOYSA-N 314.407 1.603 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OC)c2)o1 36390547 RIDHRNFJRXGNRB-UHFFFAOYSA-N 310.331 1.449 0 40 DDAB C[C@H]1COCCN1CC(=O)Nc1ccc(Br)cn1 26452091 FGRRWUJLCWPIFO-VIFPVBQESA-N 314.183 1.503 0 40 DDAB O=C(NC1CC2(CCN(C(=O)c3csnn3)C2)C1)C1CC1 1565546255 XLQPPVHQTYBZOR-UHFFFAOYSA-N 306.391 1.059 0 40 DDAB O=C(NC[C@]1(OCCO)CCSC1)c1ccccc1Cl 1565519645 KJAJYVZWOIDOOL-CQSZACIVSA-N 315.822 1.954 0 40 DDAB Cn1cc(/C=C/C(=O)NCCc2ccc3c(c2)OCCO3)cn1 31352538 NTHMMNMDOJJSPH-HWKANZROSA-N 313.357 1.563 0 40 DDAB CC1=C[C@H](c2ccccc2)n2nc(N3C(=O)CCC3=O)nc2N1 100820932 UVLXJDVLHQQXIZ-GFCCVEGCSA-N 309.329 1.850 0 40 DDAB C[C@H]1CN(C(=O)CNc2ccc(Cl)c(C(N)=O)c2)CCO1 40511206 GHWFCSJIQMEGOD-VIFPVBQESA-N 311.769 1.098 0 40 DDAB CS(=O)(=O)NC1(C(=O)NCCc2ccccc2)CCCCC1 40555777 LIDFUVUPPKAWIY-UHFFFAOYSA-N 324.446 1.597 0 40 DDAB O=C(CS(=O)(=O)Cc1ccc(F)cc1)NC[C@H]1CCCO1 40528600 NCOUIGINGSZWKC-CYBMUJFWSA-N 315.366 1.036 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc2cc(F)ccc2[nH]1 20547733 XZROKQZBELXZGZ-UHFFFAOYSA-N 305.353 1.759 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O 51382165 LZWQVPFKAYNHRD-WFASDCNBSA-N 312.316 1.965 0 40 DDAB COCCN(CCOC)Cc1csc(-c2ncccn2)n1 51372450 HCTSYDQHTWAUOB-UHFFFAOYSA-N 308.407 1.695 0 40 DDAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)C1(n2cnnn2)CCCCC1 101342493 OCTYMJPARNVBPD-MELADBBJSA-N 301.394 1.661 0 40 DDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1 7883112 OSBXRUPMIIFAGB-GFCCVEGCSA-N 319.386 1.345 0 40 DDAB CCOC(=O)c1cc(C(=O)Nc2cccc(OC)c2)nn1C 2784897 SGIJKNMLUXWRCL-UHFFFAOYSA-N 303.318 1.858 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4179818 HNTUQMMOQJZMPX-DNIRFERGSA-N 303.270 1.008 0 40 DDAB Nc1cc(=O)[nH]c(SCc2nc(-c3cccs3)no2)n1 4385869 IVNLHDCNNFJKGE-UHFFFAOYSA-N 307.360 1.756 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 41131854 OIFJPTALWFWAAE-GFCCVEGCSA-N 304.365 1.971 0 40 DDAB CC(=O)O[C@@H]1CCCO[C@@H]1O[C@H]1OCCC[C@H]1OC(C)=O 4722402 CTCGYDFSKYEJIU-AAVRWANBSA-N 302.323 1.139 0 40 DDAB Cc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 32865767 AANHQGALIGUXTP-GJZGRUSLSA-N 307.415 1.997 0 40 DDAB CN1C(=O)c2ccc(C(=O)NCC[C@H]3CCCO3)cc2C1=O 32809368 XZIRAKAHTRRXBB-LLVKDONJSA-N 302.330 1.211 0 40 DDAB O=C(Cc1ccccn1)N1CCN(C(=O)C2CCCC2)CC1 69737190 KKLVBOSYFLWSJC-UHFFFAOYSA-N 301.390 1.485 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ccncc2)CC1 8097914 ZJHXOQQLAOFOIT-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB O=C(Cc1cccs1)N1CCN(C(=O)c2ccncc2)CC1 41396025 BNPHEPMAXYRSAX-UHFFFAOYSA-N 315.398 1.670 0 40 DDAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C2 41838383 KNFCPUNIQYXRFY-OCCSQVGLSA-N 304.415 1.736 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n1 54121088 WCUQKLAVUOUBDS-VXGBXAGGSA-N 318.377 1.095 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 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COC(=O)C(C)(C)NC(=O)c1ccn(-c2ccc(OC)cc2)n1 55993052 VYGGEIZSKCDVSX-UHFFFAOYSA-N 317.345 1.562 0 40 DDAB c1cc(N2CCSCC2)ccc1Nc1ccc2nnnn2n1 76063420 QUQJOXOHTGMZMZ-UHFFFAOYSA-N 313.390 1.816 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108061228 QRPNBXCQDLTLLP-XDQVBPFNSA-N 314.451 1.353 0 40 DDAB CC(C)CN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 57738250 FPGWLQUXMYCHDL-LSDHHAIUSA-N 322.430 1.157 0 40 DDAB COc1ccc(-c2n[nH]cc2CNC[C@@H]2COCCO2)cc1 58031258 UTJSZOVRXUPIED-OAHLLOKOSA-N 303.362 1.590 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1cccs1)N(C)C 44891275 ZBPCMTHBTFTSHM-ZDUSSCGKSA-N 321.450 1.926 0 40 DDAB CCS(=O)(=O)NCc1cc(Br)ccc1OC 58210362 ACTLIYQRXWGJIN-UHFFFAOYSA-N 308.197 1.897 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Oc2c(C)occc2=O)cc1 2106432 XFLLKSNAFUSOLX-UHFFFAOYSA-N 323.326 1.674 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N[C@H]2CCCCNC2=O)cc1F 44967106 AQSMAOVFMGYWRS-MFKMUULPSA-N 323.368 1.863 0 40 DDAB CC(C)OCc1ccccc1CNS(=O)(=O)c1cnn(C)c1 44937544 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CN1CCC(N(Cc2ccccc2F)S(C)(=O)=O)CC1 65541743 GLWYRSYHNWLPKX-UHFFFAOYSA-N 300.399 1.682 0 40 DDAB CN(C(=O)c1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 14254703 HMGQMXKKUSOZFT-AWEZNQCLSA-N 319.386 1.131 0 40 DDAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 69698427 AIPPAQCWGFVVQR-CQSZACIVSA-N 310.781 1.718 0 40 DDAB c1ccn2cc(CSc3nnnn3C3CCOCC3)nc2c1 69975595 UVPOJLHSICTCIR-UHFFFAOYSA-N 316.390 1.965 0 40 DDAB CC(C)(C)c1nc(CN2CCO[C@@H](Cn3cncn3)C2)cs1 69969052 BGLFPNLPOFRRLW-CYBMUJFWSA-N 321.450 1.933 0 40 DDAB O=C1CCC(C(=O)Nc2nnc(Cc3ccccc3)s2)=NN1 7141428 RIXQCNMDRQKTNU-UHFFFAOYSA-N 315.358 1.333 0 40 DDAB Cc1nc(C[C@H]2CCCN(c3nccc(N(C)C)n3)C2)no1 97047796 DWBSETNWLUYGCG-GFCCVEGCSA-N 302.382 1.693 0 40 DDAB COC(=O)C1(NC(=O)Cn2cnc3c2CCCC3)CCCC1 97046555 UDCQFJCLHCYGQZ-UHFFFAOYSA-N 305.378 1.364 0 40 DDAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 9315275 MHHUJVBRZWATQE-JTQLQIEISA-N 319.317 1.961 0 40 DDAB O=C(Nc1ccc(Br)cc1O)c1ccc(O)nn1 71895644 JAPPNABAEDYOJM-UHFFFAOYSA-N 310.107 1.903 0 40 DDAB O=C(Nc1nccs1)[C@@H]1CCN1S(=O)(=O)c1ccccc1 97134240 URGKCULKEBVGDV-NSHDSACASA-N 323.399 1.545 0 40 DDAB Cn1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cn1 9710971 TXFMQHADBFGWHC-UHFFFAOYSA-N 309.333 1.661 0 40 DDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc2cc[nH]c12 79896058 KJMUFCTWDCXOBW-LBPRGKRZSA-N 303.387 1.771 0 40 DDAB Cc1noc(C)c1CN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O 72513671 FDZSFLZXYRNHOA-HNNXBMFYSA-N 317.393 1.652 0 40 DDAB Cc1nc(C)c(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402693 PHLDGKTZKQZNLS-NSHDSACASA-N 319.434 1.962 0 40 DDAB CN(C)CCN1C[C@@H](C(=O)NCCCc2ccccc2)CC1=O 74167148 IMOUTXNWRRHMDV-INIZCTEOSA-N 317.433 1.146 0 40 DDAB O=C(CNC(=O)Nc1cccc(N2CCCC2)c1)NCC1CC1 95994326 AWUQXNAKNXCJEI-UHFFFAOYSA-N 316.405 1.935 0 40 DDAB CN(C)[C@@H](CNC(=O)NCc1cnn(C)c1)c1ccccc1 95954674 XCPQVHYQJJTLNZ-HNNXBMFYSA-N 301.394 1.522 0 40 DDAB COc1ccc(OCCN(C)c2cn[nH]c(=O)c2Cl)cc1 24340552 JAWUGSPOVDSGNY-UHFFFAOYSA-N 309.753 1.947 0 40 DDAB CC(C)(C)NCCNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 89661584 UOEFOSCYICULSY-LLVKDONJSA-N 309.376 1.765 0 40 DDAB O=C(c1ccc2cc[nH]c2c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 89780915 VVLKVWJHLCISDW-IRXDYDNUSA-N 313.401 1.839 0 40 DDAB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CN1C(=O)[C@H]3C[C@H]3C1=O)C2 89744106 JJNWHRVFLZFOJQ-VMCKDANLSA-N 317.389 1.310 0 40 DDAB CN(C)c1cc(CNC(=O)[C@@H]2CCC(=O)N2)c2ccccc2n1 75386173 KBIVLXYZCZQKTA-AWEZNQCLSA-N 312.373 1.196 0 40 DDAB O=C1CCCN1C[C@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@H]12 306143134 XTXMOJMBFDNKPW-NUEKZKHPSA-N 301.390 1.151 0 40 DDAB COc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1OC 33452401 WJZDAQCDYPJFMY-VFADXPBXSA-N 307.346 1.942 0 40 DDAB COc1cccc(CNC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1OC 71280059 CWNZWRKGAGVUNU-NEPJUHHUSA-N 307.346 1.677 0 40 DDAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCN1CCOCC1 216425240 PPZCRMPXPOLMMT-INIZCTEOSA-N 322.405 1.301 0 40 DDAB CC(=O)N1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 72383443 LPJYPEGKTXHXHU-CYBMUJFWSA-N 312.377 1.811 0 40 DDAB Cc1cc2c(cnc3nc(-c4ccncc4)nn32)c(=O)n1N(C)C 38784029 NBNZIUIWLYYRNK-UHFFFAOYSA-N 321.344 1.007 0 40 DDAB 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PJOQDGOYBJSJRE-ZDUSSCGKSA-N 319.361 1.159 0 40 DDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)C1 44456943 XEBDGELMQDIIRS-SECBINFHSA-N 323.823 1.053 0 40 DDAB CCc1nc(NC(=O)CN(CC(N)=O)C2CCCC2)sc1C 52826682 CHCLHLUUQRFTHV-UHFFFAOYSA-N 324.450 1.682 0 40 DDAB Cc1oc(-c2cccs2)nc1CN1CCN(CCO)CC1 50499430 YBLQNIWQSJQYJA-UHFFFAOYSA-N 307.419 1.821 0 40 DDAB Cc1cc(NC(=O)CCN2CCN(c3nccs3)CC2)no1 54621601 WVIVJZKIHQVXAR-UHFFFAOYSA-N 321.406 1.590 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)Nc1cn[nH]c1 71908623 QIEFYFPOJXRIHD-LBPRGKRZSA-N 303.322 1.315 0 40 DDAB OCCO[C@@H]1CCCN(c2ccc(Br)cn2)C1 95399774 NUQQVLVLRUBVTL-LLVKDONJSA-N 301.184 1.822 0 40 DDAB CC(=O)N[C@H]1CCCN(C2COC2)[C@H]1Cc1ccc(F)cc1 1615158410 RXXCBHWXSDMYJA-IRXDYDNUSA-N 306.381 1.736 0 40 DDAB COC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 8091970 QSQSYJMRRDZMKG-KHPPLWFESA-N 318.310 1.218 0 40 DDAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1 1772595141 BJSWEHOSQBOERM-NVXWUHKLSA-N 318.373 1.316 0 40 DDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1cccnc1 5258819 SAELQRWYDGSDNX-CYBMUJFWSA-N 300.318 1.048 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC2CC2)c1C 5326407 VFCJEDYQRDZHFR-SNVBAGLBSA-N 322.361 1.632 0 40 DDAB Cc1cc2nc([C@H](C)NC(=O)C[C@@H]3CCCO3)cc(O)n2n1 19129704 XSTWQEVPYOQMCQ-QWRGUYRKSA-N 304.350 1.490 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1-n1cnnn1 169680699 CQLOFQNDBXWBMH-NFAWXSAZSA-N 309.373 1.913 0 40 DDAB Cc1cccnc1CNC(=O)Nc1ccnn1C[C@H]1CCOC1 159018425 NQDHLIAYNUVNGW-CYBMUJFWSA-N 315.377 1.945 0 40 DDAB Cc1occc1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 574060915 LZVNXTNIFDMUNV-CYBMUJFWSA-N 316.361 1.977 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(C)nc2ccccc12 4240150 TXFKWIFRLUACOZ-MRVPVSSYSA-N 304.375 1.874 0 40 DDAB c1cc(-c2ccc(N3CCN(c4ccncn4)CC3)nn2)ccn1 1155126980 CNVZOWZXTRCEFD-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3cccnc3)[C@@H]2CN1 2037980632 BVBAZVGBUAFEOD-ZHALLVOQSA-N 323.396 1.565 0 40 DDAB Cc1onc(C(=O)N2CC3(C[C@@H](NCC4CC4)CS3)C2)c1C 2056223973 JVQLQLOZWRZMSA-CYBMUJFWSA-N 321.446 1.991 0 40 DDAB CC1CC(C(=O)N2CCOC[C@@]3(C[C@@H](CN(C)C)CO3)C2)C1 1565548509 DGWMWPKMDHDKIR-KXJMLMMSSA-N 310.438 1.228 0 40 DDAB COc1ccccc1NC(=O)NCCCn1ncccc1=O 23241675 WBKCYIQFBKUZGN-UHFFFAOYSA-N 302.334 1.464 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3cc(C)nc(C)n3)C2)nc1 2086883030 WUWOGXWZNBSNBV-GFCCVEGCSA-N 301.350 1.550 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2ccc(-n3cnnn3)cc2)s1 38679909 KNPJGCKWYOHFDZ-UHFFFAOYSA-N 314.374 1.917 0 40 DDAB CC(C)(C)OC(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 575413756 PUHBOQQGBZOLLZ-LBPRGKRZSA-N 318.439 1.163 0 40 DDAB CCOC(=O)c1nc(CC(=O)Nc2ccc3cc[nH]c3c2)no1 40267712 ZHWBADAGHHHDMC-UHFFFAOYSA-N 314.301 1.909 0 40 DDAB CCCCc1nnc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)s1 31274152 JEWXIQSJRATBPS-UHFFFAOYSA-N 321.406 1.762 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)CCC(=O)N1CCCCC1 40528418 AOVWNBNFSGGCKR-UHFFFAOYSA-N 314.407 1.609 0 40 DDAB COc1ccccc1-c1noc(C[C@H]2CCS(=O)(=O)C2)n1 69702489 MRWAQWWCVZFORM-SNVBAGLBSA-N 308.359 1.722 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@H](c2cn(C)nc2C)n2ncnc2N1 17053780 FITRMHFQJCXUDG-ZDUSSCGKSA-N 316.365 1.561 0 40 DDAB COc1ncccc1CNC(=O)N(C[C@@H]1CCOC1)C1CC1 45965814 TUOHYNGBZLKOHP-LBPRGKRZSA-N 305.378 1.801 0 40 DDAB NS(=O)(=O)CC1CCN(C(=O)Nc2cccc(F)c2)CC1 69419008 DTGBZAOQPKIZNP-UHFFFAOYSA-N 315.370 1.358 0 40 DDAB COc1ccc(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cn1 69488481 AHESDLBGPSWFIA-SNVBAGLBSA-N 303.366 1.880 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](n2cccn2)C1 69416277 LIZFPHICLINXBQ-HNNXBMFYSA-N 323.360 1.336 0 40 DDAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 1355790 OYOBFDRKBKNYGT-UHFFFAOYSA-N 306.347 1.583 0 40 DDAB C[C@@H]1CC(=O)N=C(SCC(=O)NCCc2ccccc2)N1 6468135 QQKJDPVHXOFPDN-LLVKDONJSA-N 305.403 1.343 0 40 DDAB CCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10332870 ZPIPXAGADBXBKZ-CYBMUJFWSA-N 312.435 1.984 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 521588 WLICQNCPAUQDBA-UHFFFAOYSA-N 312.281 1.393 0 40 DDAB CC(C)COn1c(SCC(N)=O)nc2ccccc2c1=O 537576 ZVDJTGHDNGTTIZ-UHFFFAOYSA-N 307.375 1.059 0 40 DDAB CC(C)N1CCC(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)CC1 100797646 OTOZGQDRVHDHNH-VIRABCJISA-N 308.422 1.722 0 40 DDAB COc1cccc(CO[C@H](C)C(=O)NCCn2ccnc2)c1 42847207 GYGLWBNSOSXTMY-CYBMUJFWSA-N 303.362 1.613 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 24710784 FEOAVNGUJSRIFG-UHFFFAOYSA-N 318.345 1.208 0 40 DDAB Cc1csc(N2CCN(C(=O)NCc3cnn(C)c3)CC2)n1 54812365 PJBUGEXJDVYGFZ-UHFFFAOYSA-N 320.422 1.217 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@H]1COc2ccccc2C1 43508923 KDBHRYOBJLXMKI-ABAIWWIYSA-N 307.371 1.314 0 40 DDAB Cc1cc(=O)n(CC(=O)NC(C)C)c(-c2ccc(F)cc2)n1 57522279 IKAGKCDUQCHYIM-UHFFFAOYSA-N 303.337 1.882 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccc(Cl)c1 44893471 GVTHGDLTNZXNKM-UHFFFAOYSA-N 321.764 1.274 0 40 DDAB C[C@H](OC[C@@H](O)CNC(=O)c1ccccn1)c1ccccc1 58266520 VSAKAPDEBXASBP-ZFWWWQNUSA-N 300.358 1.950 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCN(C(C)C)C1)C2 58296746 BRZDWLCZYIKYKI-HUUCEWRRSA-N 318.417 1.845 0 40 DDAB COc1ccccc1CNC(=O)CSc1nnc(N)s1 3248313 QPEPXPBODJXEKY-UHFFFAOYSA-N 310.404 1.537 0 40 DDAB CN1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1O 2195162 DMWFDARQLGKKOJ-VIFPVBQESA-N 307.253 1.123 0 40 DDAB CCN(C(=O)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 36140536 XLGDISWZVYAPTI-NSHDSACASA-N 301.433 1.716 0 40 DDAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)COCc1ccco1 24101937 BREUVYDTKPBLAS-CYBMUJFWSA-N 321.373 1.867 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)no1 3319508 JYAOYMGMLCFRRW-AWEZNQCLSA-N 308.338 1.278 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1 3360992 YUSGWDCFPUIOQP-UHFFFAOYSA-N 301.140 1.346 0 40 DDAB Cn1nc(C(=O)Nc2ccnn2Cc2ccccc2)ccc1=O 12746811 IXXLSZPVOHYANO-UHFFFAOYSA-N 309.329 1.277 0 40 DDAB CNC(=O)CN1CCC(Nc2nc3ccccc3s2)CC1 25579692 JCZOQGAXERRGLQ-UHFFFAOYSA-N 304.419 1.919 0 40 DDAB O[C@@H](CN1CCN(CCc2ccccn2)CC1)c1ccccc1 69662598 LAAVSIMCGURTLD-IBGZPJMESA-N 311.429 1.975 0 40 DDAB O=C(CCN[C@@H]1CCc2ncnn2C1)N1CCc2ccccc21 69625493 OBSDHORJKZVAQG-CQSZACIVSA-N 311.389 1.162 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H]1Cc3ccccc3O1)C2 69893160 NIRMMZWSZCUJFU-MRXNPFEDSA-N 324.384 1.797 0 40 DDAB Cc1ccc(NC2CCN(C(=O)C[C@@H]3CCCO3)CC2)nn1 69969426 PMAYCUBWGWHUBV-AWEZNQCLSA-N 304.394 1.757 0 40 DDAB CCC[C@@H](C)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 65591818 TWDJNOGXJMSGCN-VXGBXAGGSA-N 305.444 1.288 0 40 DDAB CSc1nc2nc(CSc3nccc(C)n3)cc(O)n2n1 9304223 FORGXOPDVCKKHV-UHFFFAOYSA-N 320.403 1.943 0 40 DDAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnnn1 15990335 WNUKDJBTILKAJJ-UHFFFAOYSA-N 300.149 1.639 0 40 DDAB O=C(NC1CC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 15905613 CWTRIYDJEQTLDI-LDDOYCOJSA-N 310.353 1.252 0 40 DDAB Nc1nc(S(=O)(=O)Cc2ccc(Br)cc2)n[nH]1 8015769 RWOGXCJIUOGWEO-UHFFFAOYSA-N 317.168 1.123 0 40 DDAB COc1cc(-n2ccc(I)n2)ccn1 96032037 PAXYVCGSOVDLFG-UHFFFAOYSA-N 301.087 1.881 0 40 DDAB in-vitro Cc1ccc2nc(SCC(=O)OC(C)(C)C)n(N)c(=O)c2c1 71768868 RUPJNOYTBZLBCZ-UHFFFAOYSA-N 321.402 1.853 0 40 DDAB C[C@H](Cc1ccccc1F)C(=O)NCCCNS(C)(=O)=O 96414263 WQOLOCQAAKHGND-LLVKDONJSA-N 316.398 1.060 0 40 DDAB Cc1cc(=O)c(C(=O)Nc2ccc([S@](C)=O)c(F)c2)c[nH]1 96487078 KZGAFENCNPLPDF-OAQYLSRUSA-N 308.334 1.812 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccccc2OCC2CC2)CC1 71871466 FJNCEGVXXLUSRU-AWEZNQCLSA-N 318.417 1.614 0 40 DDAB NC(=O)[C@@H]1CC(C(=O)OCc2ccccn2)=NN1c1ccccc1 71854547 UUAFBVHUMCRHHK-HNNXBMFYSA-N 324.340 1.245 0 40 DDAB CCNC(=O)NCCOC(=O)c1occc1Br 83769196 TWKDCIAGFUARBF-UHFFFAOYSA-N 305.128 1.518 0 40 DDAB O=c1c2ccncc2ncn1C[C@@H](O)COc1ccc(F)cc1 97080150 ZUTOVBZQFURNQB-GFCCVEGCSA-N 315.304 1.371 0 40 DDAB CCn1c(C)nnc1Cn1ncc2c1CC[C@@H](C(=O)OC)C2 97047965 IVMNSEKXTGFZLN-LLVKDONJSA-N 303.366 1.129 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1nncs1 72253576 MFXRHIARWUYTLT-LLVKDONJSA-N 320.422 1.664 0 40 DDAB CN(C)[C@H]1CCCN(C(=O)NCCNC(=O)C2CCCCC2)C1 72274235 MHVXBHIGZCJCBA-HNNXBMFYSA-N 324.469 1.419 0 40 DDAB CC(C)C(=O)N1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 72274804 BSKWGFODACDKPG-HNNXBMFYSA-N 303.406 1.450 0 40 DDAB CCCCn1nnnc1CN1CCc2cnc(C(C)C)nc2C1 72268492 WMUNDPQVACGZLC-UHFFFAOYSA-N 315.425 1.945 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)CCn2ccccc2=O)no1 72299347 UGLAFLCJLDEKPD-LBPRGKRZSA-N 316.361 1.548 0 40 DDAB Cc1cccc(NC(=O)CN(C)CCCN2CCOCC2)c1C 84218747 LJJUKGVVUWRKSE-UHFFFAOYSA-N 319.449 1.896 0 40 DDAB Cc1cc(F)cc(C(=O)NCCC(=O)NCc2ccccn2)c1 97164011 CIFSZJOGKKVLJL-UHFFFAOYSA-N 315.348 1.965 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1cn(C)c3ccccc13)CC2 97198326 XBPFRDGRTGKXER-AWEZNQCLSA-N 323.400 1.752 0 40 DDAB CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCCO1 72300149 XNYQJVSDLKXMSE-KFWWJZLASA-N 316.467 1.444 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCN2CCCC[C@H]12 79145065 WNCGIBHDUBAHFY-YESZJQIVSA-N 317.433 1.516 0 40 DDAB C[C@H](CN1CCCCC1)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 79158581 QXJIWDIBQZOABC-COXVUDFISA-N 317.433 1.818 0 40 DDAB Cc1ccc(CNC(=O)N[C@H](C)CCS(C)(=O)=O)cc1F 95416403 RVGMWBJMUGDGSF-LLVKDONJSA-N 316.398 1.757 0 40 DDAB O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1 95406788 XGNBVPXYBQWYPA-UHFFFAOYSA-N 324.812 1.595 0 40 DDAB CN(C)c1ccc(C(N)=O)cc1NC(=O)c1cncc(F)c1 95965664 HLQKSUSMWMWIEO-UHFFFAOYSA-N 302.309 1.638 0 40 DDAB Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccccc2F)n1 95942797 PGANMXLOIBZHAF-UHFFFAOYSA-N 303.297 1.314 0 40 DDAB COCCn1cc(NC(=O)C(=O)Nc2cccc(C)c2)cn1 95954146 XXKKJRINBUPMJR-UHFFFAOYSA-N 302.334 1.415 0 40 DDAB Cc1ccc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(=O)[nH]1 75123974 AREJWQQQEKZGNO-ZDUSSCGKSA-N 319.405 1.009 0 40 DDAB Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2)c(C(=O)O)c1 408712665 GAOJJINLPDNCIP-UHFFFAOYSA-N 307.331 1.358 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC1 21113061 MIDPZAOZANSEIJ-UHFFFAOYSA-N 309.391 1.755 0 40 DDAB CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408708679 KNWBOHOQKASOBW-NSHDSACASA-N 305.378 1.678 0 40 DDAB COCCN1CC[C@]2(CNC[C@H]2c2cn(C(C)C)cn2)C1=O 306138333 RUZRURCTXWTVMB-XJKSGUPXSA-N 306.410 1.016 0 40 DDAB CC(C)(O)c1cc(CC2(NCc3cccnc3)COC2)no1 67897933 TTXKSZBCOKXUFY-UHFFFAOYSA-N 303.362 1.398 0 40 DDAB biogenic,in-vitro Cc1noc(C[C@H]2CCCN(C(=O)NCc3ccon3)C2)n1 1553197720 YIIYAXJEAOFYGK-LLVKDONJSA-N 305.338 1.530 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC2(CC1)OCCS2 70637258 SKHDBBWGSIFISE-AWEZNQCLSA-N 321.398 1.909 0 40 DDAB O=C(O)C[C@@H]1NC(=O)N(c2ccc(Br)cc2)C1=O 218711624 PXUVDCZMVZYGLV-QMMMGPOBSA-N 313.107 1.349 0 40 DDAB CC(C)N(CCN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C)C(C)C 215605756 VELHOIDDAMVEAZ-UONOGXRCSA-N 306.472 1.544 0 40 DDAB NC(=O)c1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1 72238891 OXZVCJYTCCGFTE-UHFFFAOYSA-N 320.352 1.901 0 40 DDAB CC(=O)N1CCC[C@H](c2nc(CN(C)C)cc(N(C)C)n2)C1 72352020 RBXMYXJHCGFBJD-ZDUSSCGKSA-N 305.426 1.330 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccco1 72238390 YLZABAQIJKHLOP-CQSZACIVSA-N 307.394 1.229 0 40 DDAB CCCc1nn(CC(=O)OC)c(=O)c2cc3ccsc3n12 72335253 BOQLBHKYUOHKCH-UHFFFAOYSA-N 305.359 1.836 0 40 DDAB CCc1nnc(CN2C(=O)c3ccc(F)cc3S2(=O)=O)o1 225777749 KNVWWBISPNGPIN-UHFFFAOYSA-N 311.294 1.116 0 40 DDAB O=C(NCCN[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccn[nH]1 130365987 LHQFJPHCEPHVEM-UWVGGRQHSA-N 304.316 1.850 0 40 DDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCC(C)C 225878768 QWLZAELIRRPTRP-UHFFFAOYSA-N 305.425 1.599 0 40 DDAB C[C@@H](C[S@](C)=O)NC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 574354809 BKKVJKSNIUZWFG-BFCKTVKASA-N 314.451 1.136 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1nnn(-c2ccccc2)n1 75163298 ZUUADOULCLBCJR-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB Cc1nccn1-c1cncc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 195574991 XLMTYWFNIURGBG-JQWIXIFHSA-N 300.366 1.061 0 40 DDAB CNC(=O)c1nc2c(s1)CCN(C(=O)c1ccccc1)CC2 96146962 OJBIBQZDOMGTSK-UHFFFAOYSA-N 315.398 1.744 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccncc1)CCC2 96059568 QALVTWHTFYGINE-UHFFFAOYSA-N 313.405 1.106 0 40 DDAB CN(C)CCN1CCN(C[C@@H]2CCOC2)Cc2cccnc21 96198837 LONKUNSQFKOFCE-HNNXBMFYSA-N 304.438 1.302 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238223 XEIWEJHGZJUUHZ-OAHLLOKOSA-N 322.434 1.153 0 40 DDAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 230213518 AAZKJJBFTWUBOI-CWRNSKLLSA-N 318.417 1.558 0 40 DDAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)[C@@H]1CCOC1)CCO2 96160095 XTFKUXVCYFSLCA-INMHGKMJSA-N 311.422 1.846 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O)CCc1ccccc1 149503400 LBAFHOAOCAWUSM-QWHCGFSZSA-N 309.362 1.958 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(N)c2)cc1 90636261 BCIHPPMEKRDQGU-UHFFFAOYSA-N 304.371 1.625 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@@H]2NC(=O)c2ccn(C)c2)CC1 96051739 SODOTPMNNWWXQM-AWEZNQCLSA-N 318.421 1.681 0 40 DDAB O=C(N1CCCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 97953712 LDIOPONIKSYCAP-ARFHVFGLSA-N 317.389 1.908 0 40 DDAB COc1cccc(-c2noc(N(C)CCN3CCCC3=O)n2)c1 95403235 CUNDXWBRDDABNQ-UHFFFAOYSA-N 316.361 1.804 0 40 DDAB NCc1cn(-c2ccccc2C(=O)NCc2ccncc2)cn1 257314482 UXEMAZFONTXOSJ-UHFFFAOYSA-N 307.357 1.656 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2cnccn2)C1 257229667 FZBBHHYJYLYHIY-HNNXBMFYSA-N 315.377 1.349 0 40 DDAB C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1nnnn1-c1ccccc1 253369772 HYXRTPCFXCKXOQ-YUTCNCBUSA-N 314.393 1.357 0 40 DDAB COCC[C@H](CO)NC(=O)NC[C@@H]1CCN(C)c2ccccc21 252510392 ZJFXBBCZTBLKBR-UONOGXRCSA-N 321.421 1.307 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)CN3CCCCCC3)CCO2)n1 257325604 WTRLDCFQWJSJQR-OAHLLOKOSA-N 320.437 1.504 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)n1 257342276 ZNXUGPGZAZARGQ-GFCCVEGCSA-N 315.329 1.661 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccn(C)n2)C12CCCC2 390834479 ZMXDYJWFQHYJFE-HUUCEWRRSA-N 320.437 2.000 0 40 DDAB O=C(O)CC[C@H]1CCCCN1C(=O)[C@H]1CCc2ncncc2C1 647733947 KQNMMZUHRXKEAN-GXTWGEPZSA-N 317.389 1.827 0 40 DDAB CC(C)(C)OC(=O)[C@H]1Cc2cccc3c2N1CCN=C3C=O 575419768 WLSDRNKYPIKLOT-CQSZACIVSA-N 300.358 1.761 0 40 DDAB CO[C@H]1CN(Cc2ccc(Cl)cn2)C[C@H]1CC(=O)N(C)C 585277545 MWZKPDJWKYEFOK-RISCZKNCSA-N 311.813 1.660 0 40 DDAB Cc1nnc([C@@H]2Cc3ccccc3CN2CCS(C)(=O)=O)o1 65552546 OXVQUQSNMCWRDX-AWEZNQCLSA-N 321.402 1.522 0 40 DDAB CC[C@@H]1CN(Cc2nnc(C3CC3)n2C)CCN1CCOC 69817451 WWONUWQRGWCFHR-CQSZACIVSA-N 307.442 1.235 0 40 DDAB NC(=O)CN(CCCS(=O)(=O)c1ccccc1)C1CCCC1 71819450 DAVGGURTIDNVHL-UHFFFAOYSA-N 324.446 1.580 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)OC(C)C)c(=O)c1n2C 12131827 PWUKKJSWTFHTHZ-UHFFFAOYSA-N 303.318 1.741 0 40 DDAB Cc1ncccc1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1cccnc1 12147991 CKAZXFPQAGZFJW-GOEBONIOSA-N 310.357 1.535 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CC[C@](O)(c2ccccc2)C1 12362593 JCZFTUWUGIZYMT-OAHLLOKOSA-N 321.402 1.011 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)C(C)(C)n3cncn3)C2)n1 607854681 YGEHKMKJDJUYNL-GFCCVEGCSA-N 300.366 1.128 0 40 DDAB CCOc1ccccc1NC(=O)COn1nnc2ccccc21 3416457 RRXSTZZHPLJZHX-UHFFFAOYSA-N 312.329 1.897 0 40 DDAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(C(N)=O)cc1 6085320 BLLBJXHOYYCVBM-MRVPVSSYSA-N 305.363 1.033 0 40 DDAB Cc1ncnc(N2CCO[C@H](C(=O)N3CCCCC3)C2)c1C 1888835135 YACGVHMJWJZJCR-AWEZNQCLSA-N 304.394 1.311 0 40 DDAB Cc1nnc(N2CC(Nc3nccc(C(F)(F)F)n3)C2)s1 1888842648 JDUYJXKEXUQBIF-UHFFFAOYSA-N 316.312 1.956 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)cc1F 38429354 YXVKUOOGAFCHNV-UHFFFAOYSA-N 322.789 1.090 0 40 DDAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)o1 40493927 SIRQREPWNBXNGR-ZDUSSCGKSA-N 314.407 1.361 0 40 DDAB COCc1cncc2c1CCN(C(=O)c1ncnc(C)c1C)C2 1565547304 IESZDXHGSGIHDL-UHFFFAOYSA-N 312.373 1.833 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccccc2F)C1 2055772926 YDPHXVPZZVPBDO-KRWDZBQOSA-N 316.380 1.760 0 40 DDAB Cn1cccc(C(=O)NCc2ccc(-c3ccco3)nc2)c1=O 225750961 RYIJFIJATAGASG-UHFFFAOYSA-N 309.325 1.970 0 40 DDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)[C@H]1CCOC1 238845869 IHTSUWCQBOSMBD-SUMWQHHRSA-N 305.374 1.372 0 40 DDAB O=C(O)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1c1ccc(F)cc1 12158576 VSPNHDQRLFKSBR-RDBSUJKOSA-N 307.321 1.631 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCc1ccnc(N2CCCC2)c1 40052564 RGYIYMBAEBFIAX-UHFFFAOYSA-N 313.405 1.962 0 40 DDAB Cc1ccsc1CN(C)CC(=O)N[C@H]1CCCCNC1=O 40528218 WRVHXVOVJUERGZ-LBPRGKRZSA-N 309.435 1.273 0 40 DDAB Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1 412666 BLUHJRLSCIPSRD-UHFFFAOYSA-N 308.363 1.026 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccccn1 45968247 ROGHGYXKQGMOND-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB CO[C@H](C(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1 69771994 QREMCGXCOGUJBI-HNNXBMFYSA-N 306.406 1.289 0 40 DDAB COCCN1CCN(CC(=O)Nc2cc(C(C)C)no2)C[C@H]1C 70037067 KWMDRHDRFOTADM-CYBMUJFWSA-N 324.425 1.389 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1nncs1 21215011 VVDQMYDINVTRPW-UHFFFAOYSA-N 302.359 1.846 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(O)CC2)c1C 21334898 DPKKKFQTEYPBGI-LBPRGKRZSA-N 322.405 1.836 0 40 DDAB CCn1c(SCC(=O)NC(=O)NC)nnc1-c1ccco1 6849126 HIKIBOYNHONCPM-UHFFFAOYSA-N 309.351 1.106 0 40 DDAB Cn1c(NC(=O)c2ccc(Cl)cc2)c(N=O)c(=O)[nH]c1=O 6925440 YHNWZDMLIINBEY-UHFFFAOYSA-N 308.681 1.377 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCN(C)C[C@@H]2C)cc1 89937716 QYAAEZUIMSTQSY-PPGNKHEKSA-N 301.390 1.222 0 40 DDAB Cc1cnc(NC(=O)CSC(=S)N2CCOCC2)s1 479967 COFNUNIYJONEPW-UHFFFAOYSA-N 317.461 1.740 0 40 DDAB CC[C@](C)(CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1 32915025 KKIOYICZBDZVIY-MRXNPFEDSA-N 306.410 1.518 0 40 DDAB O=C(CCc1nc(-c2ccccn2)no1)NC[C@H]1CCOC1 41365978 APVTYTOHWBBTAY-LLVKDONJSA-N 302.334 1.217 0 40 DDAB O=C1CCc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2N1 100221758 QNRJBHDJTGJSMQ-GREKMHCPSA-N 308.337 1.883 0 40 DDAB NC(=O)[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1 41867136 JEQOIUNHLFZYCT-MRXNPFEDSA-N 321.336 1.485 0 40 DDAB CN(C)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cn1 22394433 PDWDDGHNYUNWHI-UHFFFAOYSA-N 323.356 1.496 0 40 DDAB C[C@@]1(NC(=O)c2ccc(Br)o2)CCS(=O)(=O)C1 22548713 ILPZTYXLIXKTOR-SNVBAGLBSA-N 322.180 1.349 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@H](C)c2nnc3n2CCCCC3)n1 42496952 LDVXIKZPYWMIDK-CYBMUJFWSA-N 316.409 1.695 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c(C)n1C(C)C 102688155 DGYNKSMFKZTEOP-CQSZACIVSA-N 319.405 1.952 0 40 DDAB CCCN1CC(=O)N(c2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408290 ULRWXYVXTIMOEK-LSDHHAIUSA-N 322.430 1.219 0 40 DDAB CCC1(CC)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 24209738 SSUMBNGWMTVDPI-LBPRGKRZSA-N 324.352 1.676 0 40 DDAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(C)n1 28235305 NIJSNLUOYZOCIV-UHFFFAOYSA-N 304.354 1.029 0 40 DDAB O=S1(=O)CC[C@H](NCc2csc(-c3ccccn3)n2)C1 35053812 MEOVFTSLRSGLRU-JTQLQIEISA-N 309.416 1.482 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)NC1=NCCS1 23079202 IRWQVHVBSNLOJC-UHFFFAOYSA-N 307.375 1.034 0 40 DDAB O=C(CN1CCCC1=O)NCc1ccc(C(F)(F)F)cc1 44889495 QMAWLUVFIDBFFH-UHFFFAOYSA-N 300.280 1.944 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2cccc(-n3ccnc3)c2)c(=O)[nH]1 58230945 SBQMUXLSBZSFJB-UHFFFAOYSA-N 323.356 1.754 0 40 DDAB C[C@H](NC(=O)CN1CC[C@H](C(=O)O)C1)c1ccccc1Cl 62133966 WOQZROJYBRHYRC-QWRGUYRKSA-N 310.781 1.924 0 40 DDAB O=C(Nc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 20729688 JZYNXKZOVPJAPL-UHFFFAOYSA-N 322.372 1.979 0 40 DDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 12740242 KGXXWGZHKUZKAN-LLVKDONJSA-N 316.448 1.593 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 12737900 BLDYTHJZWXGIHT-LLVKDONJSA-N 321.352 1.282 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H]1CCOC1=O 3550763 YIYYJORFNZGAHQ-ZDUSSCGKSA-N 300.314 1.961 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@@H](c2cnn(C)c2C)n2ncnc2N1 17053783 ACGIJAWQABWTMH-CYBMUJFWSA-N 316.365 1.561 0 40 DDAB CCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCC(C)C)[C@H]3C1=O 4044022 NIFXRUKLZIIAPQ-XJIUQZFPSA-N 307.390 1.768 0 40 DDAB biogenic O=C(OCC(=O)N1CCCCC1)c1n[nH]c(=O)c2ccccc12 5166103 MDXRXIUVNUWMHE-UHFFFAOYSA-N 315.329 1.092 0 40 DDAB Cc1cc(C(=O)N2CCCN(Cc3cscn3)CC2)on1 69665417 UTZZINIJTXXTOK-UHFFFAOYSA-N 306.391 1.788 0 40 DDAB C[C@@H](CNCc1c[nH]nc1-c1cccnc1)N1CCOCC1 65516938 GVSFTOFTPBPUTF-ZDUSSCGKSA-N 301.394 1.282 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)c1nnnn1-c1ccccc1 6835466 CMACZRALEPXVEC-AWEZNQCLSA-N 323.356 1.939 0 40 DDAB Cc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4975389 PEBUXYDTCLGVRK-IPQWEPCOSA-N 314.337 1.919 0 40 DDAB COc1ccc(-c2noc(CN3CCC(O)CC3)n2)cc1OC 15306933 PJDUKUCMHJDLBA-UHFFFAOYSA-N 319.361 1.711 0 40 DDAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)N1CCNC1=O 7868936 RFMCVDWJPGQAQD-JTQLQIEISA-N 322.386 1.880 0 40 DDAB COC(=O)C1CCN(C(=O)CN2c3ccccc3C[C@H]2C)CC1 16381850 MURVTUAIQUILEM-CYBMUJFWSA-N 316.401 1.849 0 40 DDAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](O)C2)cc1 9252753 FEZYPNRNGYLYHF-LSDHHAIUSA-N 323.389 1.060 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)CCc1c(C)nc2ncnn2c1C 69665199 UXAKAXVYQCLJDY-KBPBESRZSA-N 318.377 1.784 0 40 DDAB Cn1ncc2c(=O)c(C(=O)Nc3cccc4[nH]cnc34)c[nH]c21 97080432 SIXXDMDFBFFFFN-UHFFFAOYSA-N 308.301 1.390 0 40 DDAB C[C@@H](NC(=O)NCc1ncnn1C)c1cc(F)c(F)c(F)c1 96440042 LXTKEOUCPKTQRB-SSDOTTSWSA-N 313.283 1.793 0 40 DDAB Cc1cnn(C2CN(CCCS(=O)(=O)c3ccccc3)C2)c1 71876826 CHYXYNGLOPZUBK-UHFFFAOYSA-N 319.430 1.912 0 40 DDAB O=C(NCCc1n[nH]c(-c2ccco2)n1)NCc1ccco1 71897506 WXXHQWPTAQEJJW-UHFFFAOYSA-N 301.306 1.700 0 40 DDAB CCOC1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 71820662 XKSMTJGSPMCCHB-UHFFFAOYSA-N 301.346 1.564 0 40 DDAB CC(C)(O)CNC(=O)NCc1nccn1CCc1ccccc1 83751764 KBBXKQSVJUSYJB-UHFFFAOYSA-N 316.405 1.696 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cncnc2CC)C1 83817563 ITPXKBXWPDDWKM-LLVKDONJSA-N 306.366 1.390 0 40 DDAB CCn1ncc2c1CCC[C@@H]2N[C@@H](C)C(=O)NCC(F)(F)F 72299762 LTZATHKFLSTRFA-ONGXEEELSA-N 318.343 1.937 0 40 DDAB COCCN(c1ccncc1)S(=O)(=O)[C@H](C)C(F)(F)F 97115537 JWPHIFIXMYMOME-SECBINFHSA-N 312.313 1.815 0 40 DDAB CC(C)CN1CCC(C(=O)N[C@H]2CCc3nccn3C2)CC1 97197575 QGEQCMSBERNAKZ-HNNXBMFYSA-N 304.438 1.682 0 40 DDAB CN1CCC[C@@H](NS(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 97159664 GWBNDZUVDLWDJF-GFCCVEGCSA-N 322.386 1.166 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2[nH]ccc12 72300572 SKEBTNOXEWTDPJ-DOMZBBRYSA-N 321.446 1.928 0 40 DDAB CNC(=O)[C@H](Cc1ccccc1)NC[C@@H]1Cc2ccccc2O1 97371680 QQWWMZJTOUTXIC-IRXDYDNUSA-N 310.397 1.937 0 40 DDAB C[C@H](C1CC1)N(C)CC(=O)NCCCN1CCCCCC1=O 76553141 JTFOQRKBZCAHBR-CQSZACIVSA-N 309.454 1.626 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccncc2)CCN1c1nccs1 95351864 OKCZVKBBWKKKSO-LBPRGKRZSA-N 317.418 1.687 0 40 DDAB CCOC(=O)CN(C(=O)CCOCCOC)C1CCCCC1 84793453 FWDFKAIKKZGXJX-UHFFFAOYSA-N 315.410 1.764 0 40 DDAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCCCC(N)=O 95459259 LZXGMWOEKUBWNV-UHFFFAOYSA-N 323.418 1.790 0 40 DDAB CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)Oc1ccccc1C 79019062 CJZRZQQELUQLAZ-GFCCVEGCSA-N 301.346 1.666 0 40 DDAB Cn1ncnc1CCNC(=O)CCSc1ccccc1F 79070234 QHYMVNIWYVLEDN-UHFFFAOYSA-N 308.382 1.795 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CC2)n1 95956714 HUUWQSSIAOBVIG-KBPBESRZSA-N 315.377 1.621 0 40 DDAB NC(=O)N1CC[C@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)C1 95992067 XYGIJLRUHQMMSX-NSHDSACASA-N 323.343 1.656 0 40 DDAB CC[C@H](Sc1ccccc1)C(=O)N1CCO[C@H](C(N)=O)C1 95957360 FVASFKBYMYDFIO-STQMWFEESA-N 308.403 1.270 0 40 DDAB CC(C)C[C@@H](C)S(=O)(=O)NC(=O)c1ccn2cncc2c1 95987687 XJYPNVUIBXVHKC-LLVKDONJSA-N 309.391 1.829 0 40 DDAB CN1CCO[C@@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 89385606 SRBSQZXIJZXDAU-QGZVFWFLSA-N 315.417 1.580 0 40 DDAB Cc1nc(CN(C)CC(=O)NCCc2ccccc2C)n[nH]1 75107777 WWANZXTVTDXLGX-UHFFFAOYSA-N 301.394 1.212 0 40 DDAB Cc1cn2c(n1)[C@@H](CNCc1c(C)nn(CCO)c1C)CCC2 89702107 DOVDHVNFBGPVHE-OAHLLOKOSA-N 317.437 1.664 0 40 DDAB CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccncn2)C1 1548983719 MPWSQLJIBUCIOJ-YPMHNXCESA-N 301.350 1.419 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)NC2CC2)ccc1OCC 408698475 PZULAGUOCDCLPG-UHFFFAOYSA-N 312.391 1.276 0 40 DDAB COc1cncc(S(=O)(=O)Nc2cc(C)cc(C(=O)O)c2)c1 507569937 SSXLDKNZEWMGCX-UHFFFAOYSA-N 322.342 1.898 0 40 DDAB COc1ccc2c(c1)CCN(C(=O)Cc1n[nH]c(C)n1)[C@H]2C 1551868904 SSEUNGGTPLJEMJ-JTQLQIEISA-N 300.362 1.810 0 40 DDAB Cn1c(=O)cc(C(=O)NCCc2ccccn2)c2ccccc21 79474776 SZPAVBSOBGPOKL-UHFFFAOYSA-N 307.353 1.906 0 40 DDAB Cc1nccn1CC(=O)N1CCC[C@]1(C)C(=O)NC1CCCC1 72392237 KJOYTMOLJCDMFL-QGZVFWFLSA-N 318.421 1.631 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H]1C(=O)O)N1CCc2ccccc2C1 32073981 UDIWVRHHDGOWCO-SWLSCSKDSA-N 302.374 1.509 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccccc2F)n1 77837486 MKIKIMONGQYMQD-UHFFFAOYSA-N 306.297 1.205 0 40 DDAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)Cn2cccn2)n1 72388454 MGJOJEWBTSIPJQ-OAHLLOKOSA-N 300.366 1.102 0 40 DDAB NC(=O)CN1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 72367865 FVTDUAXOVYUZAZ-CYBMUJFWSA-N 312.377 1.280 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 72382192 FFWCKURGLDWKAQ-JTQLQIEISA-N 307.379 1.006 0 40 DDAB Cc1ccc(OCC(=O)NCCCN2CCOCC2)c(C)c1 47465738 QVLUPCIGSDRSSB-UHFFFAOYSA-N 306.406 1.521 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226748544 GCLYXZXRBVQVTF-CYBMUJFWSA-N 310.781 1.594 0 40 DDAB O=C(NCCOC[C@@H]1CCCO1)c1n[nH]c2c1CCCCC2 225592415 XXXSLJLGJBQWPU-LBPRGKRZSA-N 307.394 1.604 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)C(=O)c1cc(F)ccc1O 80034276 ALBNMRUZWUUOED-UHFFFAOYSA-N 304.325 1.809 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)Oc3ccccc3)ccc21 226860078 SXIIUJUVVKOMMR-UHFFFAOYSA-N 303.295 1.338 0 40 DDAB C[S@](=O)c1ccc(NC(=O)NCCCn2ccnc2)cc1F 80129769 XNBLNGJIIJBNIW-JOCHJYFZSA-N 324.381 1.971 0 40 DDAB O=C(COCc1ccccc1)N1CC[C@H](Oc2cnccn2)C1 225795645 WFCYNGNOLKIHLN-HNNXBMFYSA-N 313.357 1.673 0 40 DDAB C[C@@]1(C(=O)Nc2nncs2)Oc2ccc(Cl)cc2NC1=O 41548892 KKTWNXYLTBJIIX-GFCCVEGCSA-N 324.749 1.920 0 40 DDAB Nc1ccccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 225314690 HVAHCGOPWKCDHZ-UHFFFAOYSA-N 317.414 1.780 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 96430468 AYRMCBNEHMRCCX-JSGCOSHPSA-N 304.415 1.741 0 40 DDAB CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccco1)CC2 96230175 GCOJCUGSFJGFER-UHFFFAOYSA-N 319.405 1.342 0 40 DDAB Cc1cnc(N2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)nc1 96226792 ZUADPIDEYLKGQN-KRWDZBQOSA-N 318.421 1.639 0 40 DDAB CCCc1noc(CN2CCc3ncnc(N(C)C)c3C2)n1 97202330 SVZMQCHBIWFIIE-UHFFFAOYSA-N 302.382 1.436 0 40 DDAB C[C@H](CCS(C)(=O)=O)NC(=O)NCc1ccc2c(c1)CCC2 96474773 LDFWVVMBRCFOOO-GFCCVEGCSA-N 324.446 1.798 0 40 DDAB CC(C)Cc1noc(CN(Cc2ccccn2)S(C)(=O)=O)n1 96405945 KEJOCNWTSSXAIW-UHFFFAOYSA-N 324.406 1.625 0 40 DDAB Cc1cc(C)n(C[C@H](C)NC(=O)NC[C@@](C)(O)c2ccco2)n1 96439321 PSGYCOUEHCCVOR-BLLLJJGKSA-N 320.393 1.688 0 40 DDAB Cc1ccc(N2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)nn1 247953587 YYRVWEYDWXHFSX-ZDUSSCGKSA-N 313.361 1.392 0 40 DDAB O=C(c1cccs1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257268480 MLWAORWEILKGKB-LLVKDONJSA-N 319.386 1.575 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc(O)n2)ccn1 257218574 DDPMUCGCFWHMLN-ZDUSSCGKSA-N 313.361 1.905 0 40 DDAB Cn1ccc2cc(C[C@H]3COCCN(C(=O)CN)C3)ccc21 257273206 NFRGURLXYJVLLN-CQSZACIVSA-N 301.390 1.155 0 40 DDAB CCOc1ccc(CN2C[C@H](OC)[C@]3(CCCO3)C2)cc1CO 257246062 ISGWFCFBOIYQFC-ROUUACIJSA-N 321.417 1.957 0 40 DDAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCNCC2)n1 257203163 AOXLGNANNJZNHO-UHFFFAOYSA-N 305.407 1.671 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257203614 AQWJKESZTXFPLR-HOCLYGCPSA-N 308.378 1.366 0 40 DDAB CCC(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257271226 MXKOAMRMWGTOFE-INIZCTEOSA-N 303.406 1.987 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cncs3)CCO2)n1 257337820 YUNQKYXWUGPCGP-SECBINFHSA-N 306.347 1.161 0 40 DDAB Cn1nc(N)c2ccc([C@@H]3CCCN(c4cnccn4)C3)nc21 257238760 HMKUXKRQSAJNMU-LLVKDONJSA-N 309.377 1.725 0 40 DDAB Oc1cc(CC[C@H]2CN(Cc3cccnc3)CCO2)ncn1 257325724 WUDSDCUPMFUJGC-HNNXBMFYSA-N 300.362 1.411 0 40 DDAB CNC(=O)c1cnn2c([C@@H]3CCCN(CC(C)C)C3)ccnc12 257257021 KNUNPSOZTSVLBE-CYBMUJFWSA-N 315.421 1.924 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ocnc3C)CCO2)n1 257224019 DZYAGMKYPNTYBF-LLVKDONJSA-N 304.306 1.001 0 40 DDAB COc1ccccc1[C@H](CNC(=O)[C@@H](C)n1cncn1)N(C)C 42474185 WPRAOMMYEUKCLZ-OCCSQVGLSA-N 317.393 1.267 0 40 DDAB COc1cc(N2CC[C@H](CN)S2(=O)=O)c(OC)cc1Cl 260759555 GUNOIZCIMMCYCV-MRVPVSSYSA-N 320.798 1.224 0 40 DDAB OC[C@]1(Cc2ccc(Cl)cc2)CN(Cc2cnc[nH]2)CCO1 585278124 ZVEUSGZSABVLCW-INIZCTEOSA-N 321.808 1.869 0 40 DDAB Cn1cnc2c1C[C@H](CO)N(C(=O)CCOc1ccccc1)C2 585094563 BRJZIHRBWUGRFM-CYBMUJFWSA-N 315.373 1.135 0 40 DDAB Cc1ncoc1C(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093438 WNYOZBPORFOMHY-ZDUSSCGKSA-N 313.304 1.313 0 40 DDAB O=C(C1CC(F)C1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 585101614 RKKLBDAJSFMOBK-ZEPSKSRBSA-N 318.352 1.180 0 40 DDAB Cc1ccccc1OC[C@@]1(O)COCCN(C2CCOCC2)C1 585275297 CLAPQWRVWKAJSR-SFHVURJKSA-N 321.417 1.616 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@@H]1O 585290807 GNQXBJGQPCMCGN-ZACQAIPSSA-N 302.374 1.441 0 40 DDAB Cc1cncc(CN2CC(F)(F)C[C@]3(CCN(C)C3=O)C2)n1 585093482 YYCBDHFJMNJCAM-CQSZACIVSA-N 310.348 1.475 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 44022344 SYBDKCWWHMMIAN-SECBINFHSA-N 305.359 1.741 0 40 DDAB O[C@@H](CN1CCCN(Cc2cccs2)CC1)Cn1cccn1 44975140 BJOFUDRWJPZYOH-HNNXBMFYSA-N 320.462 1.513 0 40 DDAB O=C(NCCNc1cnccn1)C1(c2ccc(F)cc2)CC1 47492857 JQIHHTYCKPJLNZ-UHFFFAOYSA-N 300.337 1.876 0 40 DDAB OC[C@@H](O)COCCCC(F)(F)C(F)(F)Br 1083808046 XDBBTOAOQFBHJZ-ZCFIWIBFSA-N 313.085 1.759 0 40 DDAB Fc1cccc(OCCN2CCN(c3ncccn3)CC2)c1 48056549 UAOGQXLIJCRGAO-UHFFFAOYSA-N 302.353 1.817 0 40 DDAB CS(=O)(=O)CCN1c2cccc3cccc(c23)S1(=O)=O 48583105 ZVXOFORVONGCLE-UHFFFAOYSA-N 311.384 1.393 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cn(-c2ccccc2Cl)nn1 58637318 FFOKGYIYCFDQEV-VIFPVBQESA-N 321.768 1.175 0 40 DDAB C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 71413134 AIHDCMKQBPASOH-ONGXEEELSA-N 322.352 1.982 0 40 DDAB CNC(=O)CNC(=O)NCC1(Cc2ccccc2)CCCC1 97048388 UDNFFKBLHWVMKT-UHFFFAOYSA-N 303.406 1.835 0 40 DDAB O=C(c1cc(F)ccc1F)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166478 FJLNEUQTUNOZMK-UHFFFAOYSA-N 322.311 1.733 0 40 DDAB CC(C)(C)C(=O)NCCSc1nnnn1-c1ccccc1 5000649 KMXXBEQJAYRPFY-UHFFFAOYSA-N 305.407 1.917 0 40 DDAB COc1cccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)c1 5911374 NYCPQLLMXVMECC-QLFBSQMISA-N 317.389 1.423 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377513 QVYBUVOFNKNWNZ-FOGDFJRCSA-N 302.252 1.497 0 40 DDAB CC(=O)Nc1ccc(NC(=O)Cn2c(C)csc2=O)cc1 5269280 XEWGWDYRNPUISH-UHFFFAOYSA-N 305.359 1.815 0 40 DDAB C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)n1cncn1 12201482 IYOBWGQEUQMLOI-LLVKDONJSA-N 315.377 1.226 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(Cc2c(F)cccc2Cl)CCO1 1889098046 ARZWCNHRLRSYHH-AWEZNQCLSA-N 312.772 1.959 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)CN1CCCC[C@@H]1C(N)=O 32664819 GOKKUESWFFFTKA-GOEBONIOSA-N 317.433 1.464 0 40 DDAB CC(=O)c1ccccc1OCCN(C)[C@H]1CCS(=O)(=O)C1 34990262 PPBMZMLYWZXXRV-ZDUSSCGKSA-N 311.403 1.387 0 40 DDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCCNCC1 20473810 YNNIXMIPOPJRLK-UHFFFAOYSA-N 308.325 1.689 0 40 DDAB CCOc1ccccc1NC(=O)CN1C(=O)CS[C@H](C)C1=O 2711152 CWUBOJBZGPUTTM-SNVBAGLBSA-N 322.386 1.514 0 40 DDAB CN(C)c1ccc(NC(=O)/C=C\C(=O)N2CCOCC2)cc1 9444558 ADEKQULMDOAGTE-FPLPWBNLSA-N 303.362 1.106 0 40 DDAB CCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055715704 CTFWFMSJRFRHKP-GFCCVEGCSA-N 318.421 1.644 0 40 DDAB CN1CCC(CNS(=O)(=O)c2cc(F)ccc2F)CC1 22999709 VVHSQFUGLTYLCO-UHFFFAOYSA-N 304.362 1.585 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cccnc1SC 225631858 UVECPCHTSXWNLQ-GXSJLCMTSA-N 310.375 1.206 0 40 DDAB C[C@@H](Oc1ccccc1F)C(=O)N1CC(Nc2cccnn2)C1 618256538 UDAWQEUNEMAVQB-LLVKDONJSA-N 316.336 1.706 0 40 DDAB Nc1c(C(=O)[C@H]2CCN(C(=O)C3CC3)C2)cnn1-c1ccccc1 19374449 DJJKZEHRUVVEOP-ZDUSSCGKSA-N 324.384 1.896 0 40 DDAB CC(Nc1ccc(C(=O)O)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 17252277 HGXUFQMGIKKUNN-UHFFFAOYSA-N 317.301 1.121 0 40 DDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCOCC23CCC3)c1 97096110 ZXBOYXOTSVPZKR-UHFFFAOYSA-N 316.401 1.815 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CCO1 40488151 FOLYHEHWJPDDDJ-LBPRGKRZSA-N 302.330 1.351 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 100885725 MVEDZDROOIFVKH-JXFSHQFZSA-N 319.382 1.593 0 40 DDAB Cc1cc(NC(=O)COc2cccc(S(C)(=O)=O)c2)no1 40543393 ZZSJAMSHEANNPA-UHFFFAOYSA-N 310.331 1.404 0 40 DDAB CCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1OC 208365 UZHOGJDWEFTYML-KPKJPENVSA-N 303.343 1.106 0 40 DDAB COCCN1C(=O)c2n[nH]c(C)c2[C@@H]1c1ccc(OC)cc1 20746043 GLGAKYXMAPIRDC-HNNXBMFYSA-N 301.346 1.918 0 40 DDAB CCC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)O 36838195 IVYGAYFMZLYYGH-SNVBAGLBSA-N 321.782 1.880 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)CCCn1cccn1)C2 70006056 WAECONWHBGHGSA-UHFFFAOYSA-N 314.393 1.104 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cn1 69349777 TZCXSFVHOOGMNT-ZDUSSCGKSA-N 305.403 1.431 0 40 DDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(N(C)C)nc2)CC1=O 29782058 RCQJZVMBVKBSRP-GFCCVEGCSA-N 304.394 1.591 0 40 DDAB O=C1NC(N2CCN(c3ccccc3)CC2)=N[C@H]2CCCC[C@H]12 1718142 RQOSPVWDWCTUIB-HOTGVXAUSA-N 312.417 1.853 0 40 DDAB CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@](C)(O)CC[C@H]3[C@H]1C5 4216906 NBKVWIJQJMEQLE-NGTWOADLSA-N 301.386 1.812 0 40 DDAB in-man CCOc1cccc2c1OCC(C(=O)N1CC[C@H](C(N)=O)C1)=C2 41129241 KFVFRDWSPDVQLR-LBPRGKRZSA-N 316.357 1.195 0 40 DDAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(C)=O 4860924 DFJOYWIWUVTKKZ-UHFFFAOYSA-N 318.329 1.252 0 40 DDAB CC(C)OC[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 519390 FQWYZLYUAHEXFV-ZNMIVQPWSA-N 306.406 1.053 0 40 DDAB biogenic COC(=O)c1ccc(NN=c2c(=O)c3ccccc3c2=O)cc1 565784 VOMKBAVVSGWIML-UHFFFAOYSA-N 308.293 1.150 0 40 DDAB C[C@H](OC(=O)Cc1csc(-c2cccc(F)c2)n1)C(N)=O 22465033 SJFCPDLDFYXJQQ-QMMMGPOBSA-N 308.334 1.909 0 40 DDAB C[C@@H]1CCCN(C(=O)COc2cccc(S(C)(=O)=O)c2)C1 47368212 QDMRQHOCEUFKAQ-GFCCVEGCSA-N 311.403 1.727 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2C)C1=O 23055221 DQIOAQBUBMYJDP-CQSZACIVSA-N 317.389 1.674 0 40 DDAB CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 69414877 GRBQMGGTMZDRFF-UHFFFAOYSA-N 319.361 1.669 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1c(C)noc1C 102747895 LLSNJIXWQYYOCA-APYUEPQZSA-N 320.389 1.928 0 40 DDAB CCCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 105643027 ODXYNEZHUZGOMN-DZKIICNBSA-N 321.465 1.529 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C(=O)OC 24273206 WKDUJWVIVZUTSU-CYBMUJFWSA-N 318.329 1.664 0 40 DDAB Nc1nc(CN2CCN(C(=O)C3CC3)CC2)nc2ccccc12 24595174 IMUHJQJUVTVLHV-UHFFFAOYSA-N 311.389 1.266 0 40 DDAB CS(=O)(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 24508510 HPXJRHYYUYGXJJ-UHFFFAOYSA-N 321.402 1.419 0 40 DDAB CC(C)N1CCC(C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 177320357 UKVUYWNTSKLNAL-UHFFFAOYSA-N 316.467 1.142 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)Cn1cncn1 56111260 LVXOYKGCCHOBOA-RYUDHWBXSA-N 323.397 1.230 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C[C@H](C)O1 3228328 WCQWNJNQVXTARZ-STQMWFEESA-N 320.389 1.545 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 44316141 JTJARSUEGPVWRW-ZETCQYMHSA-N 322.180 1.207 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc([S@](C)=O)cc1 57994750 MWRWITODXSESPE-OAQYLSRUSA-N 310.419 1.411 0 40 DDAB O=C(Cc1ccc(F)cc1)NCCNc1cn[nH]c(=O)c1Cl 58218268 JQMKAXWNLJJVRB-UHFFFAOYSA-N 324.743 1.333 0 40 DDAB Cc1ccccc1[C@@H]1CCCN1CCS(=O)(=O)CCC(N)=O 44978096 PJVOXHBRWDBJRP-HNNXBMFYSA-N 324.446 1.422 0 40 DDAB Cc1csc(CNC(=O)NCCN2C[C@H](C)O[C@H](C)C2)n1 44952948 BIYKFRSHYNSTAK-TXEJJXNPSA-N 312.439 1.360 0 40 DDAB CC[C@@H]1CN(C(=O)c2nnn(-c3ccc(F)cc3)c2C)CCO1 48137799 NMCWPFAACDBWKV-CQSZACIVSA-N 318.352 1.966 0 40 DDAB CCOC(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 58343003 PNGWXGNKHJFXOD-LBPRGKRZSA-N 322.361 1.344 0 40 DDAB Cc1ccnc2nc(C(=O)Nc3nnc(CC(C)C)s3)nn12 3387091 UAGNFVLULTVRTA-UHFFFAOYSA-N 317.378 1.735 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1c(=O)cnc2ccccc21 3327802 ZHXKOTKCUFAVML-UHFFFAOYSA-N 302.334 1.021 0 40 DDAB CC(C)C[C@H](CN(C)C)NC(=O)c1cnc2n(c1=O)CCS2 48276381 WQIYNBDNDZUDPP-LLVKDONJSA-N 324.450 1.055 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)n1cccc/c1=N\C1CCCCC1 48236072 UPXFQJFNOFAJME-SXXBIRCQSA-N 322.430 1.796 0 40 DDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(C)C)C1=O 8481939 KCSPNYZRKYEEBT-MRXNPFEDSA-N 321.352 1.507 0 40 DDAB CCOc1cc(/C=C/C(=O)N2CCN(C)CC2)ccc1OC 69131564 UVUZWQPGBWDSGL-SOFGYWHQSA-N 304.390 1.881 0 40 DDAB Cc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000077 KNWFFUPNMNNMSL-UHFFFAOYSA-N 323.352 1.647 0 40 DDAB Cc1cc(C)cc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 4385177 FEAOSBQXPCAYJG-GOEBONIOSA-N 316.401 1.952 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccncc3)CC2)o1 65565050 NQFIPFSVQDQFHR-UHFFFAOYSA-N 314.345 1.973 0 40 DDAB O=C1OCC[C@@H]1Sc1nnc(NC[C@@H]2CCCO2)s1 65517401 GCAHJWQHJHPUCI-YUMQZZPRSA-N 301.393 1.537 0 40 DDAB Cc1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 14111941 SADTUUMAQLQSBY-QGZVFWFLSA-N 323.396 1.846 0 40 DDAB CCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4599692 FUSJIWSMWZREBK-OAHLLOKOSA-N 316.332 1.938 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3ccc(Cl)o3)CC2)n1 65609569 MSLNBVHWAGJDDY-UHFFFAOYSA-N 322.752 1.694 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1cccc2c1OCO2)C1CCCC1 65730520 BXZLHBKPZXPUPG-HNNXBMFYSA-N 318.373 1.726 0 40 DDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccs1 5451285 NIVZWLUHZLLYIY-UHFFFAOYSA-N 307.360 1.525 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)[C@H]1Cc2ccccc2O1 67508093 ZPQJNHDGRMVAHS-CQSZACIVSA-N 312.373 1.624 0 40 DDAB CCC(C)(C)[C@@H]1CCCN1C(=O)c1coc(S(N)(=O)=O)c1 92528130 PHAJRYSZVVASLS-NSHDSACASA-N 314.407 1.968 0 40 DDAB Cc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)n(C)n1 93063991 ALWLMVPGDMRCAB-UHFFFAOYSA-N 313.405 1.770 0 40 DDAB COc1cccc(CNC(=O)c2nccnc2C(=O)O)c1OC 71283323 PDEKDSKSTVEECC-UHFFFAOYSA-N 317.301 1.122 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1C(=O)O 71285767 QZRLGUKSNDKVBD-ZJUUUORDSA-N 310.737 1.734 0 40 DDAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCNC3=O)cc2c1C 9551802 ZZHPVSXDRNTLGH-UHFFFAOYSA-N 315.329 1.493 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)C(=O)N1CCc2ccccc21 9576282 WAVVKEUEFPPMRK-INIZCTEOSA-N 310.353 1.426 0 40 DDAB Cc1cc(C)cc(CNCCS(=O)(=O)N2CCOCC2)c1 71857600 MUGPNPPGQJCVJH-UHFFFAOYSA-N 312.435 1.055 0 40 DDAB CC(=O)N[C@@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 89954670 YBLZRAXRQLTMCN-GFCCVEGCSA-N 300.366 1.107 0 40 DDAB FC(F)(F)CN1CC[C@H](NC2CCC3(CC2)OCCO3)C1 97016556 FUYIAVRSXDAKGC-LBPRGKRZSA-N 308.344 1.898 0 40 DDAB C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc2NC1=O 89941233 KETXJOITPUZTDI-NSHDSACASA-N 311.341 1.620 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc(F)c1 72282363 JAGNBWIXAAVCDI-IUODEOHRSA-N 312.410 1.824 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 72235703 IFTURMQVYGVQKN-KGLIPLIRSA-N 304.394 1.142 0 40 DDAB CCc1cnccc1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 97147409 JBCGHLVHMGEMFF-AWEZNQCLSA-N 301.321 1.740 0 40 DDAB C[C@@H](CNC(=O)NC1Cc2ccccc2C1)CN1CCOCC1 97140294 XFLQSACXXIHLRT-AWEZNQCLSA-N 317.433 1.421 0 40 DDAB CCn1ccc(=O)c(NC(=O)NCCCn2nc(C)cc2C)c1 97136206 QPVDMCLMSGVBDI-UHFFFAOYSA-N 317.393 1.893 0 40 DDAB C[C@H](CCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)nn1 97164565 DAQNYJMNDHMDQK-MRVPVSSYSA-N 305.304 1.957 0 40 DDAB CC(C)(CN1CCN(c2ccccc2)CC1)NCC1OCCO1 97232331 HYDJBVMXAGRBAB-UHFFFAOYSA-N 319.449 1.550 0 40 DDAB CCCn1nnnc1CN1CCC[C@@H]1c1noc(C2CC2)n1 76047634 ZIVMNIJUNZSKNJ-LLVKDONJSA-N 303.370 1.681 0 40 DDAB CCCc1n[nH]c([C@H]2CN(CCn3nc(C)cc3C)CCO2)n1 76049556 YGJWINDFQMLHTO-CQSZACIVSA-N 318.425 1.644 0 40 DDAB COc1cc2c(cc1OC)CN(CCN1CCCC1=O)CC2 76481693 GSLKFMFHMNZQFO-UHFFFAOYSA-N 304.390 1.684 0 40 DDAB COC[C@@H](O)CNC(=O)C1(c2ccc(F)cc2F)CCCC1 95445551 GZNRESATDGOEND-LBPRGKRZSA-N 313.344 1.900 0 40 DDAB CC[C@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)CCO1 78672475 WYTADNYUNLVMJS-AWEZNQCLSA-N 304.394 1.330 0 40 DDAB CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1 98211234 LMCDNDYJQQSNTB-UHFFFAOYSA-N 314.389 1.824 0 40 DDAB COC(=O)C1CCN(c2cncc(-n3nc(C)cc3C)n2)CC1 78979642 TVAPCJOZKPXFKB-UHFFFAOYSA-N 315.377 1.669 0 40 DDAB Cc1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)nn1C 95997984 SQVSWHPKUPTJNT-UHFFFAOYSA-N 322.372 1.684 0 40 DDAB CCc1ccc(OCC(=O)Nc2ccc(C(N)=O)nn2)cc1 89286350 JTVUTDJOKZFLES-UHFFFAOYSA-N 300.318 1.155 0 40 DDAB Cn1ncc(C(=O)N[C@@H]2CCOC(C)(C)C2)c1-n1cccc1 79494978 AGWDGUIIPMOQQF-GFCCVEGCSA-N 302.378 1.898 0 40 DDAB Cc1cnn(C2CN(C[C@@H](O)COCc3cccs3)C2)c1 75132614 HEARPVOVFOBXBW-CQSZACIVSA-N 307.419 1.687 0 40 DDAB Cc1ccc(C(=O)NC[C@H](C2CCCCC2)N(C)C)c(=O)[nH]1 75124002 NYWFARQBTGOHHT-OAHLLOKOSA-N 305.422 1.924 0 40 DDAB CN1CCO[C@@H](C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)C1 89763528 FQQCJRWYTRFIOO-LSDHHAIUSA-N 324.808 1.650 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)n1 89893630 JDHKLNSMLRVMOR-SNVBAGLBSA-N 318.381 1.541 0 40 DDAB O=C1NC[C@H](C(=O)Nc2nc(-c3ccccc3F)cs2)N1 89821274 WDNUKHNJHCFJSV-SECBINFHSA-N 306.322 1.569 0 40 DDAB O=C(NS(=O)(=O)Cc1ccccc1Cl)c1cccnc1 89814024 DPSSKBMMXSJQDF-UHFFFAOYSA-N 310.762 1.995 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H]2CCC[C@H]21 89819256 LDCKWLYNGJGDEU-UONOGXRCSA-N 318.421 1.562 0 40 DDAB CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CCOc2ccccc21 89840283 WTYZKHHIWMLIGT-UKRRQHHQSA-N 322.405 1.843 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O 408591155 ISSNHEQULIJLJE-WEVVVXLNSA-N 314.219 1.683 0 40 DDAB Cc1cc(CN2C[C@H]3OC[C@H](CN4CCCC4)[C@H]3C2)n(C)n1 306125230 CJYMHFNECKSPEJ-USXIJHARSA-N 304.438 1.271 0 40 DDAB CCOC(=O)Cn1nnc(-c2ccc(C)c(-n3cccn3)c2)n1 39389372 ZZSCDCQAIRHGKG-UHFFFAOYSA-N 312.333 1.397 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(N)COC 218514581 IVEIXUKTHAQUOL-UPJWGTAASA-N 303.811 1.584 0 40 DDAB Cc1cc(NCc2nccn2C)nc([C@H]2CCCN(C)C2)n1 72365429 AOUSLIUBRULLEP-ZDUSSCGKSA-N 300.410 1.940 0 40 DDAB CSc1ccsc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 71884047 CDUYXJNUBBXXML-LLVKDONJSA-N 305.446 1.777 0 40 DDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cc2ccccc2[nH]c1=O 72324607 CBXCRMFLCNBTQU-JTQLQIEISA-N 324.336 1.721 0 40 DDAB biogenic C[C@@H]1CN(C[C@H](O)C(F)(F)F)CCN1C(=O)OC(C)(C)C 181765847 KELRONPQBMGPGO-ZJUUUORDSA-N 312.332 1.851 0 40 DDAB C[C@H](CS(C)(=O)=O)N(C(=O)Cc1cccc(F)c1)C1CC1 79093949 UWRHDMWEPJESPQ-LLVKDONJSA-N 313.394 1.792 0 40 DDAB COc1ccsc1C(=O)N(CC(N)=O)Cc1ccccc1 79352618 MCJXWAODLVLKHI-UHFFFAOYSA-N 304.371 1.884 0 40 DDAB CCC[C@@]1(CO)CCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 565454015 UKDZJOUFVLBTOL-MRXNPFEDSA-N 315.377 1.287 0 40 DDAB CN(C[C@@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 79412334 QJTAFXJTNAEROX-HNNXBMFYSA-N 319.405 1.595 0 40 DDAB Cc1nc(Cc2noc(CCNC(=O)OC(C)(C)C)n2)no1 78774023 DWWOVZYXLNFNIM-UHFFFAOYSA-N 309.326 1.419 0 40 DDAB Cn1c(=O)c(=O)n(C)c2cc(Sc3ccccc3)c(N)cc21 72422454 OKIZCGCRJIEFPJ-UHFFFAOYSA-N 313.382 1.971 0 40 DDAB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@@]23C=C[C@@]12Cc1ccccc1C3 45070864 FDMVVDCSDBDOAX-FDCRZUCXSA-N 319.364 1.356 0 40 DDAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 48374417 APEINNYJGPSPHV-SRVKXCTJSA-N 306.362 1.852 0 40 DDAB CN(Cc1ncccn1)[C@H]1CCN(c2ccccc2F)C1=O 192023138 PIAHIEYSUZETOP-AWEZNQCLSA-N 300.337 1.853 0 40 DDAB CCn1cc([C@H]2CN(C(=O)c3scnc3C)CCO2)cn1 191744935 OQIFOUVMBIDROA-GFCCVEGCSA-N 306.391 1.882 0 40 DDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2nc(C3CCCC3)no2)C1 570746467 YGRUPKVQHLJEEU-NEPJUHHUSA-N 318.381 1.807 0 40 DDAB C[C@H](CN1CCN2C(=O)C(=O)NC[C@@H]2C1)c1cccc(Cl)c1 195573047 CMVIANPZDWKALS-BXUZGUMPSA-N 321.808 1.086 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1ncccc1Oc1ccccc1 225666845 VYBYCOMDOYKJDI-QGZVFWFLSA-N 314.341 1.755 0 40 DDAB Cc1ccc2oc(=O)c(C(=O)NCCN3CCOCC3)cc2c1 226037745 BQRIKHVZCKHHFX-UHFFFAOYSA-N 316.357 1.163 0 40 DDAB CCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192190 SSVUYZZQVGOIPR-SECBINFHSA-N 318.299 1.325 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C(=O)O)C(C)C 95399190 KBZBHWMYTDVFIN-NSHDSACASA-N 303.309 1.663 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)ccc1F 96420319 BBZVEUHIIBZNRM-SMDDNHRTSA-N 308.353 1.740 0 40 DDAB O=C(NC1CC1)N1CCC2(CC1)CN(Cc1cccnc1)C2=O 96202895 ANOLPKZKFCOSEO-UHFFFAOYSA-N 314.389 1.378 0 40 DDAB c1nc2n(c1CN1CCCC1)CCN(CCN1CCCC1)CC2 96196872 SXUKNUNZFWADSU-UHFFFAOYSA-N 317.481 1.433 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4ccncc4)C[C@H]3O2)n1 96058201 YDNHAPCZBQSMRZ-BFHYXJOUSA-N 314.345 1.765 0 40 DDAB O=C(NCc1ccon1)N1CCO[C@H](Cc2ccccc2)C1 96494014 YRONKJOQLCEHHW-OAHLLOKOSA-N 301.346 1.828 0 40 DDAB CC1(C)CN(C(=O)c2cccc3ncccc23)CCS1(=O)=O 96462377 OTGCREWPLGHKBX-UHFFFAOYSA-N 318.398 1.884 0 40 DDAB COC(=O)[C@@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 96408511 XRYNOUXPPAQXLT-QWHCGFSZSA-N 304.321 1.775 0 40 DDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1ccsc1 96486695 VVKHFHGDHXLUOT-YPMHNXCESA-N 309.435 1.292 0 40 DDAB CCc1ccc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 96186187 PZBOBBLJJRGPRN-KBPBESRZSA-N 308.403 1.291 0 40 DDAB Cc1cc2nc(N3CCO[C@@H](c4nccs4)C3)cc(=O)n2o1 97203827 PCFKIGTWMQXZPY-SNVBAGLBSA-N 318.358 1.630 0 40 DDAB Cc1nc(C(=O)NCCn2ccc3ccoc3c2=O)cs1 238840362 HSINGEPCHXYHKX-UHFFFAOYSA-N 303.343 1.789 0 40 DDAB CCN(C)S(=O)(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 96483523 VRZIOMZOFDPVMU-AWEZNQCLSA-N 314.451 1.804 0 40 DDAB CNC(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101086 QAOJBJIQQGCQSG-JTQLQIEISA-N 317.345 1.235 0 40 DDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN([C@@H]3CCOC3)C2)C1 96226051 PJBJWLNKMBECRG-CJNGLKHVSA-N 316.361 1.030 0 40 DDAB COCC(=O)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107551 SPQOPWLDIGSMNN-BBRMVZONSA-N 306.362 1.257 0 40 DDAB O=C(C1CCC1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 247872872 MJSQQZSMLZZICF-BFHYXJOUSA-N 302.378 1.162 0 40 DDAB C[C@@H]1c2nc(CC(=O)N(C)C)cn2CCN1Cc1nccs1 247957917 DHUKXCOPFBJLPM-LLVKDONJSA-N 319.434 1.547 0 40 DDAB C[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)c1ccccc1 243821365 QVJSVYMJKOQKMV-ZDUSSCGKSA-N 312.373 1.804 0 40 DDAB Cc1cc(N(C)C)nc([C@H]2COCCN2Cc2nccn2C)n1 257291977 QJMAHYLURYPLNT-CYBMUJFWSA-N 316.409 1.158 0 40 DDAB CCn1nc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cc1C 257210262 BTVYXOUUCCRUSO-FVQBIDKESA-N 320.437 1.319 0 40 DDAB CN1CCN(Cc2cc(F)ccc2F)C[C@H](C(=O)N(C)C)C1 257301938 SAQXMKVITLDTOQ-CYBMUJFWSA-N 311.376 1.417 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cccnc2Cl)C1 257343482 ZTERYGVOGCQDTP-SNVBAGLBSA-N 303.815 1.406 0 40 DDAB Cc1nc([C@@H]2CCNC2)nc2c1CC(=O)N2CCc1ccccc1 257336745 YPVHZQUAEDDEBH-OAHLLOKOSA-N 322.412 1.994 0 40 DDAB C[C@]1(c2ncc(CNC(=O)Cn3cccn3)cn2)CCCCO1 257223699 DYOAUMNXLGNTBQ-MRXNPFEDSA-N 315.377 1.405 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cc(C)on2)n1 257295195 QXIYYLXBVODKPM-LBPRGKRZSA-N 304.306 1.001 0 40 DDAB CCCc1nnsc1C(=O)N1CC[C@H](O)[C@@H](N(C)C)CC1 257328390 XFJSVEIJGVCQPW-RYUDHWBXSA-N 312.439 1.018 0 40 DDAB CCCn1ccc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)n1 257236748 HDPBESOEMUHCDV-LBPRGKRZSA-N 315.377 1.809 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257264765 LVYGNJPGDZROCZ-CYBMUJFWSA-N 324.388 1.791 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257269773 MRILGLUETOTPKH-HNNXBMFYSA-N 317.393 1.842 0 40 DDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1=O 252485093 GNLJNODQKBHUQK-NIFZNCRKSA-N 321.421 1.349 0 40 DDAB C[C@]1(CN)CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 261784791 GFWXOQHOJQXQIA-QGTPRVQTSA-N 300.402 1.924 0 40 DDAB O=C(Cn1cncn1)Nc1cc(-n2ccc3ccccc32)ncn1 96025279 QOKXQWFELXMSPG-UHFFFAOYSA-N 319.328 1.651 0 40 DDAB CCOc1ccc(CNC(=O)C(=O)NCc2ccco2)cc1 298128134 XAFXRIVRYWKTAB-UHFFFAOYSA-N 302.330 1.611 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)C3CCC3)CO2)C1 575405982 LPNCCGREEAABGX-NFAWXSAZSA-N 320.433 1.566 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 585111735 ABUDHTBBTGGRSO-OAHLLOKOSA-N 313.405 1.863 0 40 DDAB COCCOCCNC(=O)c1ccc2c(c1)NC(=O)CS2 48342995 ARTVPOSVENKDDR-UHFFFAOYSA-N 310.375 1.124 0 40 DDAB COc1ccc(-n2ccc(CNC(=O)NC[C@@H](C)O)n2)cc1 56821319 YZZRGRRURCTBBJ-LLVKDONJSA-N 304.350 1.061 0 40 DDAB CC[C@@H](Sc1nnc(S[C@H](CC)C(N)=O)s1)C(N)=O 58295724 DNUXDFNTNWBVGX-PHDIDXHHSA-N 320.465 1.250 0 40 DDAB Cc1cccc2nc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cn12 68570542 RDIWFJKWVOGTJS-LSDHHAIUSA-N 309.373 1.796 0 40 DDAB COCCCN1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 71921222 GHOYBQRHEKQORK-UHFFFAOYSA-N 319.449 1.937 0 40 DDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(F)c2)s1)c1ccco1 5127897 WHQILSGZDINSBU-SFGFDRCGSA-N 315.325 1.661 0 40 DDAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)NC(N)=O 5174796 QMTAJMPWXUQSNB-QMMMGPOBSA-N 308.338 1.687 0 40 DDAB CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N 5548748 KQNXQBAYJOEBCL-SNVBAGLBSA-N 305.407 1.524 0 40 DDAB CCn1ccnc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1 12444608 SGICIKJCUWLHGM-UHFFFAOYSA-N 316.380 1.933 0 40 DDAB Cc1cc(C)c(C(N)=O)c(S[C@H](C)C(=O)N2CCCC2)n1 12734334 QZKMRINKPOOUOZ-LLVKDONJSA-N 307.419 1.900 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 13629463 KRWDXLIODAAAGG-CQSZACIVSA-N 314.389 1.707 0 40 DDAB COc1ccc(/C=C\C(=O)Nc2nonc2NC(C)=O)cc1 4475128 ZMPQEHBZXXVGHY-YVMONPNESA-N 302.290 1.689 0 40 DDAB Cc1cc(C)nc(N2CCO[C@H](C(=O)N3CCCCC3)C2)n1 1888835011 GZCVAIHZKQPCKN-AWEZNQCLSA-N 304.394 1.311 0 40 DDAB COc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cc2c1OCCO2 27868182 BHOOAQURBBWEIL-ZYHUDNBSSA-N 307.346 1.764 0 40 DDAB Cc1noc(CN2CCN(c3cc(C4CC4)ncn3)CC2)n1 1776009840 TWQKZQGCJHIJQO-UHFFFAOYSA-N 300.366 1.368 0 40 DDAB CCN(Cc1cn(C)cn1)[C@@H]1CCOC2(CCN(C)CC2)C1 2037846585 SFJKBOUTUXUJFJ-MRXNPFEDSA-N 306.454 1.885 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 1142641783 ORJXPMYUONCBRH-DDNRWTCHSA-N 318.398 1.062 0 40 DDAB CC(N[C@H](C)Cc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 5625731 OMEAUBGDQIREAA-LLVKDONJSA-N 315.373 1.532 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714510 FGEASVLRIOGGBZ-GFCCVEGCSA-N 318.421 1.644 0 40 DDAB COc1ccc(CNC(=O)Cn2nc3c(c2N)CSC3)cc1 26422013 HPGJEEGXTZJZBY-UHFFFAOYSA-N 318.402 1.537 0 40 DDAB COc1ccc(C(=O)N[C@@H](Cn2cncn2)C(C)C)cc1F 575618098 ZFUNWLKNNKIDJP-ZDUSSCGKSA-N 306.341 1.880 0 40 DDAB O=C(C1CN(c2ncc(Cl)cc2Cl)C1)N1CCOCC1 2298042976 ZKQIHXBTNHVQCF-UHFFFAOYSA-N 316.188 1.683 0 40 DDAB O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 13628209 CWTRIYDJEQTLDI-BORJPKMPSA-N 310.353 1.252 0 40 DDAB Cc1cc(=O)n2nc(C(=O)Nc3cccc(Cl)c3)nc2[nH]1 101582259 PPQDUBYQVMIHBF-UHFFFAOYSA-N 303.709 1.632 0 40 DDAB Cc1nc(CSc2nnc(-c3cc(C)n(C)n3)o2)cc(=O)[nH]1 41385396 IGNBWNTVMNFZAM-UHFFFAOYSA-N 318.362 1.463 0 40 DDAB COCCOc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1 30505805 HYDGJEGXYLRJEA-NSHDSACASA-N 307.350 1.064 0 40 DDAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCO[C@H]2CCC[C@@H]21 101269263 DCCNEZVUDJLOFN-XZZZKDFVSA-N 318.421 1.468 0 40 DDAB CC(C)OC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 11725728 SXRDGAGNYQNIKY-UHFFFAOYSA-N 305.334 1.216 0 40 DDAB CCO[C@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 60377973 QDFXWUPKXLDYKD-NSHDSACASA-N 319.409 1.880 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1CC=CC1 101572118 CJICLVIFDSFFMB-AJNGGQMLSA-N 314.385 1.266 0 40 DDAB COc1ccc2c(c1)sc(C)[n+]2CCCS(=O)(=O)O 1951044 WVDNJMVTWQDZHR-UHFFFAOYSA-O 302.397 1.784 0 40 DDAB CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O 4999880 YBOCFIILJWCZPM-UHFFFAOYSA-N 315.373 1.242 0 40 DDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 6880384 PAXDMSMVNGMNIX-UHFFFAOYSA-N 312.391 1.032 0 40 DDAB COc1cccc(/C=C/C(=O)NCCCN2CCCC2=O)c1 33023725 GPKCWEZIGQKLKE-CMDGGOBGSA-N 302.374 1.837 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)C1CCN(C(=O)N(C)C)CC1 53438930 VXGYZHGUWZFERH-CQSZACIVSA-N 311.426 1.408 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cnccn1 22517753 UJOJKWZXPRYVDR-CYBMUJFWSA-N 318.402 1.341 0 40 DDAB Cc1cccc(OCCNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 61206510 ZWRYGNKCGDFQCF-CYBMUJFWSA-N 311.403 1.315 0 40 DDAB COC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 23223815 OXUGFPLFYWTLQY-AWEZNQCLSA-N 313.309 1.857 0 40 DDAB COCCn1nc(C(=O)N[C@@H](C)c2ccc(C)o2)ccc1=O 23306357 WVSXOWUOBSEOLI-NSHDSACASA-N 305.334 1.282 0 40 DDAB CCn1cc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 47499738 DPVKRHJUHXPHMO-UHFFFAOYSA-N 322.390 1.628 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3nccs3)CC2)no1 54635416 BWWBFZXERMHIHR-LLVKDONJSA-N 321.406 1.589 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)OCCN2CCCC2=O)cc1 54858444 PMXCJZZYXKXZNG-UHFFFAOYSA-N 302.330 1.590 0 40 DDAB O=C(COC(=O)c1ccc2ccccc2c1)NC(=O)NC1CC1 24797416 IMPRZQZUDPMDFU-UHFFFAOYSA-N 312.325 1.985 0 40 DDAB COC(=O)N1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 76065648 NMEPVDXNIDORDG-UHFFFAOYSA-N 312.316 1.808 0 40 DDAB NC(=O)[C@@H]1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)C1 106564301 DNKWGZWSTTVLRF-HUUCEWRRSA-N 301.390 1.157 0 40 DDAB CCN1C(=O)[C@@H]2CC=C[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2C1=O 25047408 DAAXMSLUFDAMMF-HZSPNIEDSA-N 316.332 1.505 0 40 DDAB Cc1nnc(NC(=O)NCc2nnc3n2CCCCC3)s1 43409113 OMLKVODMFGAQGG-UHFFFAOYSA-N 307.383 1.486 0 40 DDAB CC(C)(CNC(=O)c1csc(Br)c1)C(N)=O 77818830 LQHOAQQTHPFHMG-UHFFFAOYSA-N 305.197 1.752 0 40 DDAB C[C@@H](NC(=O)CNc1ccccc1N1CCC(O)CC1)C1CC1 55887695 BZRUWBOGBSZLFN-CYBMUJFWSA-N 317.433 1.974 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)OCc1nc(C)no1 25359309 IFDDDQONBCVNNZ-UHFFFAOYSA-N 304.302 1.875 0 40 DDAB Cc1ccc(F)c(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 25318849 QFRASIVOIBWVSZ-LBPRGKRZSA-N 300.355 1.497 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc2c(c1)OCCO2 47862954 BMEVBROWRBRVRQ-LBPRGKRZSA-N 316.361 1.542 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccc(Br)o1 44317840 ZLSJXVVCNMXGCP-VIFPVBQESA-N 317.183 1.493 0 40 DDAB CCN1C(=S)NN[C@@]1(O)c1cccc(Br)c1 67321294 ZAPZOTLMUQYNSW-JTQLQIEISA-N 302.197 1.266 0 40 DDAB O=C(CCn1cncn1)N1CCO[C@H](c2ccc(F)cc2)C1 44709513 ZQPQRBRHPPWSKN-AWEZNQCLSA-N 304.325 1.407 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cn3ccc(C)cc3n2)CC1 44869663 ACESMUTZZFYQAW-UHFFFAOYSA-N 300.362 1.383 0 40 DDAB O=C(Cc1cccc2cccnc12)N[C@@H]1CCS(=O)(=O)C1 44894786 QNDRATNIAZFSSO-CYBMUJFWSA-N 304.371 1.081 0 40 DDAB C[C@H]1COCCN1C(=O)CN1C(=O)CSc2ccccc21 44912621 JCBGMZYNQKYNBN-NSHDSACASA-N 306.387 1.373 0 40 DDAB CCc1cc(=O)n2nc(NC[C@H](O)c3ccccc3)sc2n1 44974310 MFWOWRCLADLACF-LBPRGKRZSA-N 316.386 1.859 0 40 DDAB COC(=O)c1oc(CN2CCC[C@@H](CNC(N)=O)C2)cc1C 44975684 SLFIJAILKCKPKJ-NSHDSACASA-N 309.366 1.255 0 40 DDAB C[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)[C@@H]1CCCO1 27867050 DXMYXCZBNGEPJL-NHYWBVRUSA-N 315.373 1.160 0 40 DDAB O=C(CCNC(=O)c1ccc2[nH]cnc2c1)NCc1ccccc1 58343009 HXMXPJAMXVYTKK-UHFFFAOYSA-N 322.368 1.999 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)[C@H](c1ccccc1)n1cccn1 58324848 ISHSDTSUWXSRDF-HNNXBMFYSA-N 314.389 1.503 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccco1)C1CC1 48232085 GHSZQIJLSXPMKH-LLVKDONJSA-N 312.391 1.388 0 40 DDAB CS[C@@H](C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48265589 LZWPPGVDSANFDP-LBPRGKRZSA-N 308.451 1.201 0 40 DDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)c2ccccc2F)C1=O 28913734 SCZIITUFGBXSJZ-LRDDRELGSA-N 318.304 1.919 0 40 DDAB CCOC(=O)NC(=O)COC(=O)c1ccccc1OC(F)F 3573463 AHBCTHSPCKHYDV-UHFFFAOYSA-N 317.244 1.718 0 40 DDAB O=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c2ccccc12 3530182 DBXJYPXLNNTPBJ-UHFFFAOYSA-N 314.341 1.697 0 40 DDAB CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(F)c1 12916359 TVOLXNAUFWVWHI-UHFFFAOYSA-N 322.361 1.745 0 40 DDAB CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](N)C1 3874568 VSZGPKBBMSAYNT-ZNMIVQPWSA-N 312.410 1.285 0 40 DDAB in-vitro O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCC1 13597980 YLWUWHPJMVMROJ-UHFFFAOYSA-N 314.341 1.744 0 40 DDAB Cc1cnn(C[C@H]2CN(c3nn4cc(C)nc4s3)CCO2)c1 69445324 YASDWSBSBYUPIM-GFCCVEGCSA-N 318.406 1.510 0 40 DDAB CC(C)(C)OC(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 64931675 JEQICXOCIVJUQU-UHFFFAOYSA-N 308.382 2.000 0 40 DDAB CC(C)(C)[C@H]1CCCC[C@@H]1NCC(=O)NCC(=O)N1CCCC1 65493350 CUUZZFVFTXAEDN-GJZGRUSLSA-N 323.481 1.920 0 40 DDAB COC(=O)CNc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 65564040 MDHGLRSXEMSFON-GFCCVEGCSA-N 306.362 1.116 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)C[C@@H]1CCCO1 65574916 BVERYJDHAOAFDU-OCCSQVGLSA-N 323.414 1.558 0 40 DDAB Cc1cc(CSc2nnc([C@H]3CCS(=O)(=O)C3)o2)no1 14108399 ZMEILTQWDIXFJV-QMMMGPOBSA-N 315.376 1.560 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)C1CCCC1 14120205 HLSQANCXLRMDLL-CQSZACIVSA-N 303.362 1.419 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nccs2)C1=O 14138779 GWJDZVJPACIBII-VIFPVBQESA-N 303.343 1.896 0 40 DDAB CCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4599693 FUSJIWSMWZREBK-HNNXBMFYSA-N 316.332 1.938 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1sccc1-n1cccc1 14201838 OHWWUDJQJANQDA-UHFFFAOYSA-N 319.342 1.247 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccccc1F)C2=O 14201135 XYDCJTQCMKXSCP-UHFFFAOYSA-N 319.336 1.971 0 40 DDAB Cn1cc(-c2ncc(C(=O)NCC[C@H]3CCCO3)s2)cn1 66373834 STVCZQMQQWZCGF-LLVKDONJSA-N 306.391 1.843 0 40 DDAB C[C@H](O)CN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 70037095 SBPQGXURJOIZMY-HNNXBMFYSA-N 300.406 1.371 0 40 DDAB CCN(CC)C(=O)CSc1nnnn1-c1ccccc1OC 6891310 LETDVUFCZQWWDA-UHFFFAOYSA-N 321.406 1.631 0 40 DDAB C[C@H](Cc1ccccc1F)NC(=O)CCS(=O)(=O)N(C)C 97032167 DYADRIAGJGBYDH-LLVKDONJSA-N 316.398 1.154 0 40 DDAB COc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C(F)(F)F)cc1 97080015 FOPSWMVDHQZVIY-PWSUYJOCSA-N 316.279 1.693 0 40 DDAB O=C(NCCNC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccn[nH]1 96002212 FWJVCRDGYNTHMF-DGCLKSJQSA-N 305.382 1.114 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2cnn(-c3ccccc3)n2)cn1 71796905 NSHSVQWEIUCHIM-INIZCTEOSA-N 322.372 1.978 0 40 DDAB C[C@@H](O)CNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 97178199 UZEGMKFEMZTSEY-GFCCVEGCSA-N 310.357 1.590 0 40 DDAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCNC(=O)C1 9515348 IFALSUHFJIKCBR-MRVPVSSYSA-N 316.188 1.752 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)C2 71860224 FRGWSCHVHXFEON-HUUCEWRRSA-N 323.400 1.626 0 40 DDAB O=C(c1cn[nH]n1)N1CCC(OCCc2ccccc2)CC1 71836569 TVBSVTBCDJBSKD-UHFFFAOYSA-N 300.362 1.669 0 40 DDAB C[C@H](O)[C@H]1CCCCN1CCN1C(=O)c2ccccc2C1=O 71883596 ZFROWBOILLCPGY-SWLSCSKDSA-N 302.374 1.518 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2cc(C)nn2C)CC1 71817177 IJEKYAOXKDNHLD-UHFFFAOYSA-N 314.389 1.700 0 40 DDAB COc1ccccc1CCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 71829869 DYYGCUAISZZXSH-OCCSQVGLSA-N 304.390 1.740 0 40 DDAB Cc1nc(C)c(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)s1 72300689 BFNKGTZEENJWFZ-IAQYHMDHSA-N 322.434 1.570 0 40 DDAB C[C@@H](CO)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 97204291 PARUENXAOANPHM-NSHDSACASA-N 306.362 1.227 0 40 DDAB C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCN2CCCC[C@H]12 83967059 OZUYPZZOSULWFR-CWRNSKLLSA-N 321.465 1.814 0 40 DDAB C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(N)cc2)C1 97375544 DQGIGTBBGOSZKP-CYBMUJFWSA-N 311.451 1.669 0 40 DDAB NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cccn2)c1 79015776 SYKPANNTWKLOHV-LSDHHAIUSA-N 312.373 1.646 0 40 DDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCCN(C)C 72680634 IGMJMPTWENVCPP-CYBMUJFWSA-N 311.451 1.570 0 40 DDAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C(=O)N(C)C)c1 79324692 UXOBQTWTOAJOFO-IPQOISQHSA-N 324.446 1.552 0 40 DDAB CC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1C[C@@H](C)O 84736449 PGGYZSXEFHOUIK-CJNGLKHVSA-N 323.481 1.068 0 40 DDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)o1 95402311 CMSTXMBDVDZSBZ-CYBMUJFWSA-N 317.393 1.950 0 40 DDAB CC(C)C[C@H](CO)NS(=O)(=O)c1cccc2cccnc12 95432899 MZABPZUBNOHHFW-CYBMUJFWSA-N 308.403 1.920 0 40 DDAB O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CCOC1 95977559 ZSGKINXZVPZRGL-SKDRFNHKSA-N 302.733 1.601 0 40 DDAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@@H]1CCN2CCCC[C@H]12 95996163 CTFPREOGUOZROL-JJXSEGSLSA-N 309.454 1.806 0 40 DDAB Cc1cccc2ncnc(N3CCC(S(N)(=O)=O)CC3)c12 75094115 BBBVDADZAOCVAP-UHFFFAOYSA-N 306.391 1.196 0 40 DDAB C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccccc1N(C)C 89588353 XTCMFVPPHMFJMN-UONOGXRCSA-N 305.422 1.651 0 40 DDAB O=C(Nc1ccc(-n2cccn2)cc1)N1CCN(CCO)CC1 89885061 PJKCWXXXVVWKTJ-UHFFFAOYSA-N 315.377 1.014 0 40 DDAB NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)O 22054094 CJPMLWRZFHGSOZ-KGLIPLIRSA-N 308.378 1.244 0 40 DDAB Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cnn(C(C)C)c1 72239193 VLTACFSVKPIFAY-UHFFFAOYSA-N 322.390 1.672 0 40 DDAB COC(=O)c1cn(Nc2nc(C)cc(C)n2)cc2c(O)nnc1-2 524732720 WUFPXJYSTUCHSC-UHFFFAOYSA-N 314.305 1.157 0 40 DDAB CCOC[C@@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218562842 UEMYJSQEOMJZMY-OWCLPIDISA-N 311.447 1.884 0 40 DDAB CNS(=O)(=O)c1cccc(NC(=O)c2cccc(N)c2)c1 37019364 FPMBQRBJPYCAKE-UHFFFAOYSA-N 305.359 1.429 0 40 DDAB Cc1cc(-c2cccnc2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72365180 MVBMHEMCFFVEPB-AWEZNQCLSA-N 318.402 1.944 0 40 DDAB Cc1cc(CNS(=O)(=O)c2cccs2)nc(N(C)C)n1 188278513 HASYBIZOABWXPV-UHFFFAOYSA-N 312.420 1.391 0 40 DDAB CN(C)c1ccccc1CN1CCC[C@H]1C(=O)N1CCOCC1 75646431 XIIGEGNQMSLJSO-KRWDZBQOSA-N 317.433 1.576 0 40 DDAB CCCN1C[C@H](CN=c2[nH]nc(-c3ccon3)s2)CC1=O 562928533 PZFBKJOLYPGPCA-VIFPVBQESA-N 307.379 1.285 0 40 DDAB CC(C)n1cnnc1C1CCN(CC(=O)N2CCCC2)CC1 195558011 GUARSBMHXJBLBA-UHFFFAOYSA-N 305.426 1.661 0 40 DDAB CNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 225573693 FLHOUGIKVWWDBA-UHFFFAOYSA-N 312.376 1.007 0 40 DDAB Cc1ccc(CNC(=O)CS(=O)(=O)c2ccccn2)cc1F 60916379 UTPIAGXGRPBQGA-UHFFFAOYSA-N 322.361 1.619 0 40 DDAB Cc1csc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 570654430 IQYJJCSDAWCOKW-SUNKGSAMSA-N 308.403 1.613 0 40 DDAB CN(C(=O)[C@@H]1Cc2cc(F)ccc2O1)C1CCS(=O)CC1 81833782 GYTJFVWSUIRXBD-BJJGWYPJSA-N 311.378 1.499 0 40 DDAB CCNC(=O)CCC(=O)NCC1(O)CCC(C(C)(C)C)CC1 96412633 IRKRZAREMOFBRI-UHFFFAOYSA-N 312.454 1.986 0 40 DDAB O=C(CC1CC1)N1CCc2ncnc(N3CCCC3)c2CC1 96255459 GEDVYTLRGLVYMZ-UHFFFAOYSA-N 300.406 1.804 0 40 DDAB COC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 98086505 LLSOANXPGCVNLV-POHAHGRESA-N 323.326 1.610 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)no1 96365416 WZOJKKXRXPUVCB-ZDUSSCGKSA-N 320.370 1.671 0 40 DDAB O=C1C[C@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1ccccn1 96239171 FXSYJOLBOYUIHP-HNNXBMFYSA-N 321.402 1.003 0 40 DDAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1COCCO1 96431377 UARLYJKKLYBUOE-AWEZNQCLSA-N 308.765 1.895 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)no1 96046334 SYDAVSKYJGGILW-TUKIKUTGSA-N 314.345 1.765 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](C(=O)O)c1ccccc1 237689717 BPWUZPZYJQZZEQ-INIZCTEOSA-N 315.373 1.912 0 40 DDAB Cc1cnc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2)nc1 96245901 JXNAAANJVLILOS-GJZGRUSLSA-N 309.373 1.560 0 40 DDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96056396 ZXFZVTWDXBDWQF-BZUAXINKSA-N 322.405 1.506 0 40 DDAB C[C@@H](O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 96495300 WPBNATUXHGNRPU-HQJQHLMTSA-N 300.717 1.081 0 40 DDAB COC(=O)[C@@H](NC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F 95446423 ISKYJPYLSFYJLO-ZDUSSCGKSA-N 309.272 1.261 0 40 DDAB O=C(CC1CC1)NC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1 96199210 PSFMLZRGGFGIOH-GFCCVEGCSA-N 302.334 1.353 0 40 DDAB Cn1cc(CN2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)cn1 96161325 FHWOWFDMKGFQDR-KRWDZBQOSA-N 324.428 1.916 0 40 DDAB CNS(=O)(=O)[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 92068347 WSZUMGKNVXBLLL-NSHDSACASA-N 317.480 1.564 0 40 DDAB COc1cccc([C@@H](CNC(=O)c2snnc2C)OC)c1 96389759 DWRBFMJKORHMTP-GFCCVEGCSA-N 307.375 1.973 0 40 DDAB Cc1cccc(CN(C(=O)CS(=O)(=O)N(C)C)C2CC2)c1 97372327 ROXXMLHRDGEOSK-UHFFFAOYSA-N 310.419 1.377 0 40 DDAB COCCN1CCC(Cc2nccnc2-c2ccnn2C)CC1 257277364 NXRZNMLRVJDFTO-UHFFFAOYSA-N 315.421 1.778 0 40 DDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)cc1 257263133 LOOJQSNSSJQFAE-HUUCEWRRSA-N 324.371 1.911 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)n1 257239146 HODDEYXRSUTRMG-ZDUSSCGKSA-N 321.768 1.235 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)N(C)Cc2ccc(F)cc2)C1 257232929 GMZNITXYOXZCCZ-INIZCTEOSA-N 308.353 1.422 0 40 DDAB C[C@@H](C(=O)O)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 263541223 CWMLIAKWGZIBLB-LDYMZIIASA-N 310.737 1.060 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccccc1 630446713 UVHJMQBOZGHSMA-QWRGUYRKSA-N 319.329 1.777 0 40 DDAB C[C@H]1CCN(S(=O)(=O)CCN(C)C)[C@@H](c2ccco2)C1 390834412 YEVGZRRPICZOLQ-QWHCGFSZSA-N 300.424 1.944 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575405047 QWTFGWIWBRFGLP-LBPRGKRZSA-N 314.345 1.257 0 40 DDAB CCCCC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 575406636 QAYVANCONPTQIS-OAHLLOKOSA-N 321.421 1.494 0 40 DDAB COc1ccc([C@H]2[C@H](C(=O)O)SCC(=O)N2C2CC2)cc1 824659943 RHSHGLMOCVKMFS-UONOGXRCSA-N 307.371 1.927 0 40 DDAB O=C1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CCN1 54257477 OCQGXTQJUQOCGE-OAHLLOKOSA-N 301.390 1.002 0 40 DDAB CN(CC(N)=O)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 69520237 HISZGGRIBRNAPR-ZDUSSCGKSA-N 321.377 1.196 0 40 DDAB COC(=O)[C@H]1CN(Cc2nccn2CC(F)(F)F)C[C@@H](C)O1 89496972 WDLBOQXDFYKKLX-NXEZZACHSA-N 321.299 1.208 0 40 DDAB COc1ncccc1C(=O)N1CCC(Oc2nncs2)CC1 670545748 WNXJAUOLIFOOOA-UHFFFAOYSA-N 320.374 1.625 0 40 DDAB O=C1NC(=O)[C@@]2(CCN(c3nc4ccc(F)cc4s3)C2)N1 641385717 SSUHPHAMVNVUCY-ZDUSSCGKSA-N 306.322 1.224 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1F 225448433 FEFSUVPLNUDXFC-NWDGAFQWSA-N 300.399 1.882 0 40 DDAB Oc1nc(-c2ccncc2)nc2c1CN(C[C@H]1CCOC1)CC2 105747217 PZTHZSMFTDDWPL-GFCCVEGCSA-N 312.373 1.639 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C1=O 5006515 ZUAXRGVRMYAEIE-MDWZMJQESA-N 318.329 1.540 0 40 DDAB C[C@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)n1cncn1 12201376 PQYOLZVGTVVYPJ-WBMJQRKESA-N 313.361 1.539 0 40 DDAB CN(C)C(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12901977 ZVSHPWSHXVJTOY-UHFFFAOYSA-N 315.373 1.590 0 40 DDAB biogenic C[C@@H](C(=O)NCc1nc(C2CCSCC2)no1)n1cccn1 575616868 KQEMSXHBGUKMKW-JTQLQIEISA-N 321.406 1.754 0 40 DDAB Cn1ccc2c(N3CC[C@@H](C(=O)NC(C)(C)C)C3)ncnc21 1889085191 AISFEWVBKQFFJK-LLVKDONJSA-N 301.394 1.709 0 40 DDAB Cc1csc2c(N3CCO[C@@H](C(=O)NC4CC4)C3)ncnc12 1889085218 HVNXXRCJKNRGNE-LLVKDONJSA-N 318.402 1.484 0 40 DDAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)c1 29695572 OPBLOJIBVCZZNS-QGZVFWFLSA-N 317.433 1.100 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cn2)n1 31215977 HNFXQFVCKVHMSW-GFCCVEGCSA-N 313.361 1.301 0 40 DDAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CO3)on1 1565550846 IVTHFLIFICWTBA-NSHDSACASA-N 309.366 1.009 0 40 DDAB CCOC(=O)CNC(=O)CSc1nccn1Cc1ccco1 4248848 GMTBQAIWWKEXGU-UHFFFAOYSA-N 323.374 1.296 0 40 DDAB CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)OC 4742828 WNPWAGJDJLSDPH-UHFFFAOYSA-N 312.391 1.894 0 40 DDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CCCCO1 21735895 KCSPXVASYLFDBR-SJCJKPOMSA-N 316.357 1.785 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 542123 JMMVFEXMFJPKAO-LMOYCYGVSA-N 319.744 1.799 0 40 DDAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](C)C(N)=O)c12 40488078 FZFFSKPBBKXVKU-QMMMGPOBSA-N 314.301 1.395 0 40 DDAB Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2c1 40493835 PRFLYOIMDULUMI-LBPRGKRZSA-N 306.387 1.735 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccccc1Br 40525283 LTAQTORZCUQKLS-UHFFFAOYSA-N 300.156 1.707 0 40 DDAB NC(=O)CC1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 40542626 BCNACRGGZMXPDD-CQSZACIVSA-N 302.374 1.352 0 40 DDAB C[C@@H](NC(=O)Cn1ccccc1=O)c1nnc2n1CCCCC2 45897519 VSVJHZSTYZDLPZ-GFCCVEGCSA-N 315.377 1.044 0 40 DDAB CCc1nc(CCNC(=O)[C@@H]2CC(=O)N(CC)C2)sc1C 69566824 JVKBSGJSWQKKDX-LLVKDONJSA-N 309.435 1.541 0 40 DDAB CCn1nc(C)c(CNC(=O)c2nnc3ccccc3n2)c1C 46088115 OGASLNQYUCJPTK-UHFFFAOYSA-N 310.361 1.788 0 40 DDAB Cc1cc(NC(=O)NCCn2c(=O)oc3ccccc32)n(C)n1 69582711 BFAPGNLYFQFTTO-UHFFFAOYSA-N 315.333 1.458 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)CN1CCCC[C@@H]1C(N)=O 32664821 GOKKUESWFFFTKA-GDBMZVCRSA-N 317.433 1.464 0 40 DDAB COC[C@@H](C)NC(=O)COC(=O)c1ccc(OC(C)C)cc1 3440735 WJSQPMNGFKNEJU-GFCCVEGCSA-N 309.362 1.782 0 40 DDAB CN(C)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 4920988 AANKQCSAWJHYQY-UHFFFAOYSA-N 319.390 1.149 0 40 DDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)CC(=O)N2 4992859 FGAMAXINEFBBKV-JTQLQIEISA-N 319.748 1.212 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Cl 6700421 NMPXEGHKSJAYML-VOAKCMCISA-N 307.733 1.610 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCSc2ccccc21 68259432 ZSUWWOOHXYEPTI-LLVKDONJSA-N 311.428 1.950 0 40 DDAB Cc1csc(C2=C(O)CN([C@@H]3CCS(=O)(=O)C3)C2=N)n1 102726505 TWWGVVYUWWUKRJ-MRVPVSSYSA-N 313.404 1.201 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccccn1 102952644 UGHFKZNTZZDBNM-ZIAGYGMSSA-N 315.373 1.263 0 40 DDAB Cc1cc(N2CCN(CCO)CC2)ncc1Br 42783506 PFNQJIYPXCVVFG-UHFFFAOYSA-N 300.200 1.267 0 40 DDAB in-vitro COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2 24727475 QMBFZFMOXNRSFX-AWEZNQCLSA-N 318.373 1.889 0 40 DDAB CC(C)CCO[C@@H](C)C(=O)NCCN1C[C@H](C)O[C@H](C)C1 106515784 BBIWAFLLKLDPAX-ZNMIVQPWSA-N 300.443 1.663 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cnn(C)c2)C1=O 25307714 MPGFWHXPOKLRLS-LLVKDONJSA-N 314.345 1.563 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 56940955 XBQUTWVGTDAHRD-MFKMUULPSA-N 307.781 1.844 0 40 DDAB CC(C)C[C@@H](CO)NC(=O)Nc1ccc(-n2nccn2)cc1 172313086 GHIBFXWNMPGWKA-ZDUSSCGKSA-N 303.366 1.796 0 40 DDAB Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc2ccccc12 58225013 ICZQVYBRDGDDCE-UHFFFAOYSA-N 324.428 1.944 0 40 DDAB CCn1cc(NC(=O)N[C@H]2CCCc3c2cnn3CCO)cn1 44971967 DMWJLSVIUNEBNQ-ZDUSSCGKSA-N 318.381 1.291 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1C(N)=O 44914294 KRHGNWRAAJLMNK-UHFFFAOYSA-N 319.386 1.310 0 40 DDAB CCn1cc(NC(=O)NC[C@H](O)COc2cccc(F)c2)cn1 44969937 UGUYTUABVBEFLX-ZDUSSCGKSA-N 322.340 1.604 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 28058233 DYCWJBQDVMYFOO-IUCAKERBSA-N 319.404 1.333 0 40 DDAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCNC2=O)cc1 7829144 VVOWTIMGZVQZCS-VIFPVBQESA-N 307.375 1.677 0 40 DDAB O=C(N1CC2(C1)OCC[C@H]2CCOc1ccccn1)C1(F)CC1 306130505 JINWEVYEWIWPJK-CYBMUJFWSA-N 320.364 1.970 0 40 DDAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCc1ccccc1F 11330986 FRCDBSKYPRUJGF-UHFFFAOYSA-N 308.338 1.216 0 40 DDAB CN(Cc1ccco1)C(=O)NC1CCN(c2ncccn2)CC1 45711437 UEHGZCDHZQENPR-UHFFFAOYSA-N 315.377 1.880 0 40 DDAB CC(=O)N[C@H](CC(=O)Nc1nc[nH]n1)c1ccc(Cl)cc1 48356335 QMNVUYHAVZWBGA-LLVKDONJSA-N 307.741 1.664 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)CSc1nccc(=O)[nH]1 8582904 GFCKSUNAXLENLC-GFCCVEGCSA-N 317.414 2.000 0 40 DDAB COc1cc(OC)cc(C(=O)NCc2nnc3n2CCC3)c1 13001556 NYCUYFDQKFYMST-UHFFFAOYSA-N 302.334 1.172 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)N1CCC[C@@H](CC(N)=O)C1 76093964 XBZUXECQMIWATC-NEPJUHHUSA-N 309.435 1.976 0 40 DDAB Cc1cccc(C)c1-n1nnnc1CN1CCc2cncnc2C1 69842348 IMEACNBDSYQQKJ-UHFFFAOYSA-N 321.388 1.627 0 40 DDAB Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 13734540 HJRKSJXSRPFRFB-JTQLQIEISA-N 305.725 1.762 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 81864887 DEUSFINPHJYEFB-ARFHVFGLSA-N 307.365 1.833 0 40 DDAB COc1ccccc1CCNS(=O)(=O)c1c(C)nn(C)c1C 13938083 FWYLDRMJKZDPHJ-UHFFFAOYSA-N 323.418 1.567 0 40 DDAB CNC(=O)[C@H]1CCCCN1Cc1nc(-c2cccs2)no1 65607118 NQIZQKPLDCKBSP-SNVBAGLBSA-N 306.391 1.899 0 40 DDAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)NC2CC2)C1 65614187 XARREFLRXSUEBV-CYBMUJFWSA-N 306.341 1.894 0 40 DDAB C[C@H](CC(=O)NC[C@@H](O)c1ccccc1)NC(=O)C1CCCC1 69439842 VMPSKSLIXBVSOV-CZUORRHYSA-N 318.417 1.921 0 40 DDAB CC(C)(C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1Cl 69487266 JBXOGWQFAWZXNJ-LBPRGKRZSA-N 310.781 1.330 0 40 DDAB C[C@@H](c1cccnc1)N1CCN(c2ccc3nncn3n2)[C@H](C)C1 69458723 HADZOJCTEIWSBK-KGLIPLIRSA-N 323.404 1.791 0 40 DDAB O=S1(=O)CC[C@@H](Nc2ncnc3c2oc2ccccc23)C1 8403173 AORMKTOROCNBME-SECBINFHSA-N 303.343 1.975 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ccccn2)CC1 7137796 SBVGQTNJRPEYKO-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB NC(=O)COc1ccccc1C(=O)N[C@@H]1CCc2ccccc2C1 71088955 NOVCJEZRFLLCFY-OAHLLOKOSA-N 324.380 1.838 0 40 DDAB Cn1cc(Br)c(=O)c(NC(=O)c2ccccn2)c1 97050188 OYLMWHQGWIWGNJ-UHFFFAOYSA-N 308.135 1.795 0 40 DDAB CCC[C@H]1C[C@@H](C(=O)NS(=O)(=O)CC(F)(F)F)CCO1 408391832 FITYVKBRKONINM-IUCAKERBSA-N 317.329 1.590 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)N1CCN2CCC[C@@H]2C1 72277696 UVTFBLSFIDKIJY-CQSZACIVSA-N 301.456 1.276 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CCO1 72298299 ICTUDPISJDWMJO-VXGBXAGGSA-N 300.380 1.382 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H]1CCS(=O)(=O)C1 9318972 KBDKMDAOYHLJCB-LBPRGKRZSA-N 319.386 1.336 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccccc1 72238062 JRCMWQLZNNSPNP-ZWKOTPCHSA-N 324.380 1.901 0 40 DDAB Cc1csc([C@H](C)CNC(=O)N[C@H]2CCN(C(C)C)C2=O)n1 97110117 UIAFNYGQPSHZOB-PWSUYJOCSA-N 324.450 1.864 0 40 DDAB CCN1CCN(CCC(=O)Nc2ccc(SC)nc2)CC1 96427194 MAIVEZMXNHMZSF-UHFFFAOYSA-N 308.451 1.770 0 40 DDAB Cn1ncc2c(=O)c(C(=O)N3CCCc4ccccc4C3)c[nH]c21 97237480 XOVGARRKSFUXMV-UHFFFAOYSA-N 322.368 1.850 0 40 DDAB CCc1cnc(CN2CCO[C@H](CN(C)c3cccnn3)C2)o1 83827866 GBVTVEVRGZWALD-CQSZACIVSA-N 317.393 1.364 0 40 DDAB O=S(=O)(CC1CCCCC1)NCCN1CCC(CO)CC1 71916239 RUJWZOSHFDGBDH-UHFFFAOYSA-N 318.483 1.190 0 40 DDAB CC(C)Oc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 71917100 XJTPCYSXVKCHCG-LLVKDONJSA-N 312.391 1.782 0 40 DDAB CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CC=CCC2)o1 84754183 KFHJBBFCRUFHAE-LLVKDONJSA-N 312.391 1.415 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ccno3)C2)o1 78892225 LDYLFFBRIBEDFA-CYBMUJFWSA-N 318.377 1.848 0 40 DDAB COC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCc1cn2ccccc2n1 95994669 FNGFGPDATNUIFN-UONOGXRCSA-N 315.373 1.582 0 40 DDAB O=C1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1 89782950 VSPRMTYGAAEWPG-SECBINFHSA-N 315.251 1.632 0 40 DDAB CC(=O)[C@H](C)CCCCC(=O)NCC(C)(C)N1CCOCC1 89895375 CTHFTILOTKQSKS-CQSZACIVSA-N 312.454 1.999 0 40 DDAB COc1cc([C@@H]2NCCC(=O)N2)cc(Br)c1O 408737263 MWMTUUQVGGQRDM-LLVKDONJSA-N 301.140 1.271 0 40 DDAB CCOc1ccc(Br)cc1/C=C/C(=O)NCCO 62714752 DQOGLUSDBFVKOU-ZZXKWVIFSA-N 314.179 1.970 0 40 DDAB CCOc1ccc(NC(=O)CSc2nc(=O)[nH]nc2C)cc1 31773529 XFIVYTLUOVJCNB-UHFFFAOYSA-N 320.374 1.603 0 40 DDAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218525977 RRFKYUCXGORNGX-MELADBBJSA-N 317.838 1.975 0 40 DDAB O=C(NC1CC2(C1)CC(NC(=O)c1cocn1)C2)c1cocn1 1013979382 LUGXWWOWGDQWKK-UHFFFAOYSA-N 316.317 1.134 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2cncnc2)cc1 73252159 SBDZKDFSRKHFLM-DOMZBBRYSA-N 324.384 1.799 0 40 DDAB Cn1nnc(-c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2)n1 71285029 NDOMSNUSYAYMSP-MNOVXSKESA-N 315.333 1.172 0 40 DDAB CS(=O)(=O)c1nsc(NC(=O)c2ccc(F)cc2)n1 36626351 HZCNGGDQMXPPQU-UHFFFAOYSA-N 301.324 1.333 0 40 DDAB CCc1ccc(CNC(=O)Cc2nnc(-c3cnccn3)o2)cc1 62007303 SGRXHDMMUDUTSR-UHFFFAOYSA-N 323.356 1.948 0 40 DDAB CC1(C)[C@@H](C(=O)N[C@@H](CC(=O)O)c2cccc(F)c2)[C@H]1C(=O)O 72401456 YVTSUSGPMYUCMK-UHTWSYAYSA-N 323.320 1.815 0 40 DDAB Cc1cc(C)n(-c2ccc(Cn3cnnc3[S@@](C)=O)cc2)n1 78995734 BKPWRHRVNZAPHV-QFIPXVFZSA-N 315.402 1.866 0 40 DDAB Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)nn1 562729007 VADPXEFZZVLXMC-MRXNPFEDSA-N 324.384 1.358 0 40 DDAB O=C(O)[C@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CCO1 43701441 FFHHFMCICJUAGV-LLVKDONJSA-N 318.156 1.848 0 40 DDAB C[C@@H](CN1CCCCCC1)Nc1cc(N2CCOCC2)ncn1 225487182 CNLKVEIIZLSFGA-HNNXBMFYSA-N 319.453 1.990 0 40 DDAB CC[C@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223065164 ADHCODUETYSYNQ-NSHDSACASA-N 316.398 1.502 0 40 DDAB N[C@@]12CCC[C@H]1CN(C(=O)c1ncc(Br)cn1)C2 1580158404 RBIFCJSRVNRJPX-QPUJVOFHSA-N 311.183 1.193 0 40 DDAB N[C@]12CCC[C@@H]1CN(C(=O)Cc1ccn(CC(F)(F)F)n1)C2 1580158533 ZPTVUZSBHQRLGV-MFKMUULPSA-N 316.327 1.328 0 40 DDAB C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccncc1 527956643 QKAHFEIZGTXHKL-YOEHRIQHSA-N 305.422 1.348 0 40 DDAB Cc1c(Cl)c(C(=O)N(CC(=O)O)C2CCOCC2)nn1C 573090922 PGFMHZFMWNLSQT-UHFFFAOYSA-N 315.757 1.088 0 40 DDAB C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CN(C)S(C)(=O)=O 195530817 YAXLZVZHMIBCPJ-NFAWXSAZSA-N 324.446 1.671 0 40 DDAB COC(=O)CNC(=O)c1nc(C)sc1Cc1ccccc1 95472950 STMWAZWPJRRFQA-UHFFFAOYSA-N 304.371 1.945 0 40 DDAB Cn1ccnc1CNC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 96296457 DKDQWTOQCFEQDM-HNNXBMFYSA-N 323.400 1.972 0 40 DDAB biogenic,in-vitro COCCN1C[C@H]2[C@@H](C1)N(Cc1ccsc1)CC[C@H]2OC 96209319 XSYRRFSSVKNQNL-ARFHVFGLSA-N 310.463 1.916 0 40 DDAB CN(C)c1nc2cc(NC(=O)CNC(=O)C(C)(C)C)ccc2o1 96476904 TVLYVAQOAHANLS-UHFFFAOYSA-N 318.377 1.995 0 40 DDAB CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N1CCCCC1 96112956 YUZKFENERKHZNW-LSDHHAIUSA-N 309.454 1.624 0 40 DDAB biogenic,in-vitro Cc1cc(C)n(CCCNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n1 96134072 MLINKZHAYVTHGW-HZPDHXFCSA-N 323.437 1.980 0 40 DDAB COc1ccc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)nn1 95475525 XETUWDIGGXEJMS-GFCCVEGCSA-N 316.361 1.611 0 40 DDAB Cn1nc(CNC(=O)[C@H]2COc3ccccc3O2)cc1C1CC1 96099315 LYRNECOFQLYMNG-MRXNPFEDSA-N 313.357 1.754 0 40 DDAB Cn1c2c(ccc1=O)C[C@H](NC(=O)NCc1cccnc1)CC2 96189615 RPKYFYCDSPACJP-CQSZACIVSA-N 312.373 1.137 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@@H]12 96251865 WZTNHPNSJFQWOQ-CVEARBPZSA-N 322.430 1.211 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2 96496897 VKPBXDDSEMCENN-GHMZBOCLSA-N 321.425 1.931 0 40 DDAB Cc1ccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c(O)c1 535615483 DKKQDIMFGADLFD-GFCCVEGCSA-N 307.346 1.797 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3cccnc3)C2)C1 96201979 MSTNWRWLENVGAX-QGZVFWFLSA-N 305.422 1.252 0 40 DDAB COc1cccc(CC(=O)NC[C@@H](C)N2CCOC[C@H]2C)c1 245316744 KMROHQQYPWNACR-ZIAGYGMSSA-N 306.406 1.463 0 40 DDAB CCCCNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 244454869 ZDXOJLVDZVIOHQ-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB Cc1ncoc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257262866 LNHOJMXRQGHATC-LBPRGKRZSA-N 302.334 1.945 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)CCN2CCOCC2)ccn1 257334436 YFWCVJBHKAUWMA-HNNXBMFYSA-N 318.421 1.509 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1(COC)C(=O)O 252515719 MZCUCTNIHYFXLW-SCRDCRAPSA-N 316.350 1.444 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NS(C)(=O)=O 42279730 IYDMAUOYNIJFTP-UHFFFAOYSA-N 307.375 1.107 0 40 DDAB Cc1ccc(C[C@H]2CCCN(C(=O)CN3CCOCC3)C2)cn1 257209102 BOYXYKFDXYOOSI-QGZVFWFLSA-N 317.433 1.503 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 257314111 UVJIWVPLHJTGBY-GFCCVEGCSA-N 306.391 1.681 0 40 DDAB CN([C@H](C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O 260770732 UBCQRWPOTLFHLS-AWEZNQCLSA-N 322.386 1.529 0 40 DDAB Cc1nc(C)c(CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)s1 548679934 SRKLREGXJTUKJY-OAHLLOKOSA-N 323.462 1.611 0 40 DDAB COC(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccoc2)cc1 90612897 VOPTXYJCPLIELC-CQSZACIVSA-N 303.314 1.920 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)Nc2ncn(CC(=O)O)n2)c1 647781013 XVMJPDVHFWIWMA-JTQLQIEISA-N 304.306 1.077 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)Nc1cnn([C@@H]2CCOC2)c1 96123180 XBHKSHGAUHKDJH-CYBMUJFWSA-N 315.329 1.754 0 40 DDAB O=C(O)CN1CC[C@@H](n2c(=O)sc3c(F)cccc32)C1=O 663219038 GSEAOMYLDVEFJW-SECBINFHSA-N 310.306 1.060 0 40 DDAB O=C1N(c2ncccn2)C[C@@]12CCCN(C[C@H]1CCCO1)C2 585099374 HSKNBQARQBMTMN-CJNGLKHVSA-N 302.378 1.084 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)N1CCOCC1 43160673 GWJJRAIQHIKWEI-UHFFFAOYSA-N 324.425 1.544 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NCc1nnc2n1CCC2 45387426 MWKRCDHAEATHEN-UHFFFAOYSA-N 304.354 1.171 0 40 DDAB Cc1ccc(-n2nc(/C(O)=N/S(C)(=O)=O)c3c2CCC3)cc1 48486770 SXEUFOWJCIFZJH-UHFFFAOYSA-N 319.386 1.934 0 40 DDAB CCn1cnnc1CNC(=O)Nc1cccc(C(=O)OC)c1 58157535 CISSTZIXCCIIQP-UHFFFAOYSA-N 303.322 1.406 0 40 DDAB COc1cccnc1NC(=O)CN(C)C(=O)c1cccs1 58214394 NQJWFDYOVOPPPS-UHFFFAOYSA-N 305.359 1.862 0 40 DDAB O=S(=O)(Nc1cc(F)cc(F)c1)c1cccn2cnnc12 67172405 IPWVABSSTWFMKZ-UHFFFAOYSA-N 310.285 1.808 0 40 DDAB in-vitro COc1ccc2c(c1)C[C@H](NCC1CCS(=O)(=O)CC1)CC2 90882870 MAXYRGUSIAFZQX-MRXNPFEDSA-N 323.458 1.967 0 40 DDAB N[C@@H]1C[C@@H](NC(=O)C2(C(F)(F)F)CCOCC2)C12CCC2 1580167066 ZKDWOHRYENCZFL-NXEZZACHSA-N 306.328 1.732 0 40 DDAB COc1cccc2cc(C(=O)N[C@@H]3C[C@@H](O)[C@@H](CO)C3)oc12 85468412 ZVZQIRCADHHDJO-GRYCIOLGSA-N 305.330 1.303 0 40 DDAB biogenic COc1ccc(S(=O)(=O)N[C@H](CN)CC(C)C)cc1C 95394513 RTOQTMOCFJMCPX-LBPRGKRZSA-N 300.424 1.655 0 40 DDAB CCNC(=O)OCc1cnc(C)c(O)c1COC(=O)NCC 13208346 PBGZGMOYQLQNRQ-UHFFFAOYSA-N 311.338 1.588 0 40 DDAB COc1ccc(CSc2nnc3nc(O)cc(N)n23)cc1 13465321 UTZXATYRXOOHMM-UHFFFAOYSA-N 303.347 1.713 0 40 DDAB COC(=O)CC1=N[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1O 16607959 FKJPBMDSUUXDGP-KGLIPLIRSA-N 300.318 1.551 0 40 DDAB O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1N1CCOCC1 19292949 UHCBSJVBHSLIMA-HZPDHXFCSA-N 312.360 1.232 0 40 DDAB N=C(N)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 31829399 KTPKIMJAZDFELN-LBPRGKRZSA-N 322.365 1.019 0 40 DDAB in-vitro CCC[C@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O 36339974 PBCYKQNFNCIIFK-ZDUSSCGKSA-N 319.354 1.756 0 40 DDAB Cc1nnc2ccc(C(=O)Nc3cc(C(C)(C)C)no3)nn12 1888875949 QUQWWQPRGSMEHR-UHFFFAOYSA-N 300.322 1.971 0 40 DDAB Cc1cn2nc(N3CCN(c4ccnc(C)n4)CC3)ccc2n1 1889134449 NECSFOYWKCWZRM-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2nncn2n1 1889217639 UFVAIPRWAQHXCY-UHFFFAOYSA-N 323.341 1.895 0 40 DDAB C[C@@H]1CCCN(C(=O)CNc2cccc(-c3nnnn3C)c2)C1 25705016 LADUBXQTGFPACL-GFCCVEGCSA-N 314.393 1.548 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(OCC(N)=O)c2)no1 28356428 HLTXHIDANSSEGD-SNVBAGLBSA-N 318.333 1.286 0 40 DDAB O=C(CCc1nc(-c2ccccn2)no1)NC[C@@H]1CCCO1 33643218 FCSPDKIEPQLNOH-NSHDSACASA-N 302.334 1.359 0 40 DDAB NC(=O)CN1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776008998 FKYVVSKHJDLNJW-UWVGGRQHSA-N 313.199 1.299 0 40 DDAB CN1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 40051261 KDBKDAGLLVMYLK-UHFFFAOYSA-N 324.324 1.521 0 40 DDAB CC(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 33712552 RSZOLPFSICJWSR-SNVBAGLBSA-N 302.371 1.265 0 40 DDAB CC(=O)N[C@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O 2323171 KRWDPDYAGUBTTN-NSHDSACASA-N 307.272 1.266 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccsc1 8863553 DBIGTFZRSFBGMC-ZDUSSCGKSA-N 309.435 1.526 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2nc3ccc(F)cc3o2)C1 891803761 YSWCXERZACQKOF-JTQLQIEISA-N 313.354 1.485 0 40 DDAB CS(=O)(=O)Nc1cccc(C(=O)NCCCn2cccn2)c1 30167954 VNKDYCIDQLMFAY-UHFFFAOYSA-N 322.390 1.075 0 40 DDAB O=c1[nH]c(CN2CCCC[C@H]2CO)nc2cc(Cl)ccc12 40473206 XATOECQAZCFXBW-NSHDSACASA-N 307.781 1.923 0 40 DDAB CN1CC(=O)N(C[C@@H](O)COc2ccccc2C(C)(C)C)C1=O 40486075 XDRIODIRRPQZPY-GFCCVEGCSA-N 320.389 1.618 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2cccc(S(C)(=O)=O)c2)cnn1C 31541771 AHVVUEGJIFCJGT-SNVBAGLBSA-N 321.402 1.623 0 40 DDAB Cn1c(C(=O)NS(=O)(=O)C(F)F)cc(Cl)c1Cl 40553484 CQTGTVBALJLBOR-UHFFFAOYSA-N 307.105 1.614 0 40 DDAB Cn1ccnc1COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 40539786 SBVYOQRCYVCUQO-HNNXBMFYSA-N 315.373 1.908 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](c1ccco1)N(C)C 89904383 WBZFJWXXWJKPSZ-QWHCGFSZSA-N 305.382 1.467 0 40 DDAB COc1ccc(C)cc1CCNC(=O)[C@H](CC(C)C)NC(N)=O 29555515 MHLNPLHFROZZMF-AWEZNQCLSA-N 321.421 1.745 0 40 DDAB CCOC(=O)c1nnc(-c2ccccc2)nc1C(=O)OCC 343616 OPLDCCIQXOKVGC-UHFFFAOYSA-N 301.302 1.892 0 40 DDAB CNC(=O)c1ccc(CN(C)Cc2ccc3c(c2)nnn3C)cc1 79105535 IQOQHLUKMVLWIF-UHFFFAOYSA-N 323.400 1.960 0 40 DDAB Nc1cc(N)nc(SCC(=O)NCCC2=CCCCC2)n1 3605660 SDHIWTIYIHHGTE-UHFFFAOYSA-N 307.423 1.740 0 40 DDAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCOC)C1=O 3907330 GDKULRIIPKVDFT-CYBMUJFWSA-N 306.362 1.262 0 40 DDAB O=C(Cn1nnn(-c2cccs2)c1=O)c1ccc(F)cc1 32754573 PZQKDEURODZKGY-UHFFFAOYSA-N 304.306 1.513 0 40 DDAB C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 7656477 LJOFCSUEARNRGW-GFCCVEGCSA-N 310.419 1.809 0 40 DDAB CC(=O)c1ccc(NC(=O)CSc2cnnc(O)n2)cc1 11990620 LLUBHWYOGBRFIG-UHFFFAOYSA-N 304.331 1.511 0 40 DDAB O=C(CSC(=S)N1CCOCC1)Nc1nccs1 479969 ALKYSMOUWSAQMC-UHFFFAOYSA-N 303.434 1.432 0 40 DDAB O=C1CCCCCN1CP(=O)(O)CN1CCCCCC1=O 497824 DWVIPLFAQUVNMG-UHFFFAOYSA-N 316.338 1.977 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 101681834 JPCCKXXLIFFNNI-FIXIBIHLSA-N 315.325 1.554 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Oc2ccccc2Cl)CC1 21891948 YGXSJERPKCJPRV-UHFFFAOYSA-N 317.794 1.917 0 40 DDAB CCN1C(=O)C[C@H](Nc2cccc(CN3CCCC3=O)c2)C1=O 103091644 YTWUVBJJPAYFMR-AWEZNQCLSA-N 315.373 1.368 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H]1c1nnc2ccccn12 47076012 TYEYSZPDCGVPNW-QWHCGFSZSA-N 300.362 1.962 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C[C@H]3CCCO3)CC2)cc1 22850269 UFNLCJWTHYOSRZ-QGZVFWFLSA-N 317.433 1.730 0 40 DDAB Cn1cc(N2CC[C@H]3CN(Cc4ccccn4)C[C@H]3C2=O)cn1 107254591 COJKDCRZHCVKCZ-XJKSGUPXSA-N 311.389 1.300 0 40 DDAB CCN1CCN(CCC(=O)NCc2ccc(F)c(C)c2)CC1 75582121 GPLCKSADTBIXPV-UHFFFAOYSA-N 307.413 1.778 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 54662860 MWAPJBUANLBDMU-GFCCVEGCSA-N 304.350 1.932 0 40 DDAB O=C(NC1CCCC1)[C@H]1[C@@H](C(=O)N2CCOCC2)[C@H]2C=C[C@H]1C2 100268278 ONHUITOWOIOJSB-UGQVUOCMSA-N 318.417 1.342 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)CN1 47719808 IAYCYNKGVVTQHX-QWHCGFSZSA-N 305.378 1.059 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CCC(C(N)=O)CC2)n1 42949070 VNJLWXZXHMRPKZ-NSHDSACASA-N 321.425 1.043 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)NCc2ccccn2)c1 70040502 CEGXJCLGZIMNBU-MRXNPFEDSA-N 313.405 1.367 0 40 DDAB CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC(C(N)=O)CC1 25377836 YOEVINKCYDIVPN-CYBMUJFWSA-N 322.409 1.678 0 40 DDAB COc1ccc(CC(=O)N[C@]2(C(=O)O)CCSC2)cc1F 43508880 BUYBIFOPVRBZCQ-CQSZACIVSA-N 313.350 1.453 0 40 DDAB C[C@H]1CCc2sc(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2C1 43702303 XYTVADQQOPZADS-GXSJLCMTSA-N 309.387 1.799 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nccn2C)C1 3230435 XXWJYGRUVIFAMY-NSHDSACASA-N 311.407 1.314 0 40 DDAB COC(=O)c1ccc(CNC(=O)CSC2=NCCS2)cc1 3275613 GERAOQKEZRFYFG-UHFFFAOYSA-N 324.427 1.925 0 40 DDAB CC(C)c1cnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900419 IOGPDIQAZCPCSO-NSHDSACASA-N 317.393 2.000 0 40 DDAB O=C(COC(=O)c1cnccn1)NCc1ccc(Cl)cc1 3228352 GTNDITNMHNAAOO-UHFFFAOYSA-N 305.721 1.603 0 40 DDAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC1CC1)C2=O 12601591 RHRJVOAYDSWETR-HWPZZCPQSA-N 307.394 1.402 0 40 DDAB NC(=O)[C@@H](OC(=O)CNC(=O)C1CCCCC1)c1ccccc1 10136076 QOVKVJCBNOSJTB-HNNXBMFYSA-N 318.373 1.453 0 40 DDAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2cnccn2)CC1 27630090 UVCVUBIMDPBZNT-CYBMUJFWSA-N 303.410 1.046 0 40 DDAB CC(=O)N1CCC(NC(=O)CCc2nc(C(C)C)no2)CC1 44918332 RBMRJWHBTPTKEE-UHFFFAOYSA-N 308.382 1.253 0 40 DDAB CC(C)(C)NC(=O)CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1 27995300 PFVWAVGZVZBUHP-CQSZACIVSA-N 307.438 1.402 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccnc1)C2=O 3352637 MSJYKPPNGKNWDW-MEDUHNTESA-N 316.361 1.521 0 40 DDAB CCOc1ccccc1/C=C/C(=O)N1CCC(C(N)=O)CC1 45293447 KDSYXDAMGHRMCT-BQYQJAHWSA-N 302.374 1.822 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCSC(F)(F)F)C[C@@H](C)O1 36392743 NACHNUJGIQGPFW-OCAPTIKFSA-N 322.374 1.183 0 40 DDAB CC(C)N1C[C@@H](C(=O)NC[C@H](c2ccsc2)N(C)C)CC1=O 36397833 SWESXULUMGEAAI-UONOGXRCSA-N 323.462 1.724 0 40 DDAB Cc1oc(C)c(C(=O)N2CCN(c3cnccn3)CC2)c1C 48234298 XXJGDFNFLBJAMH-UHFFFAOYSA-N 300.362 1.957 0 40 DDAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H]2CCOC2)c1 45743403 GSQBLSCTDUXTKQ-NSHDSACASA-N 313.375 1.096 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccn(C)n1 12754441 ASQHVINPUIOJGJ-NSHDSACASA-N 302.334 1.674 0 40 DDAB COCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1 69349289 LAAGKCWABRSBRX-OLZOCXBDSA-N 322.430 1.477 0 40 DDAB C[C@@H](C1CC1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 12814202 LUHPDQPCLYDXEU-NSHDSACASA-N 310.419 1.807 0 40 DDAB COC(=O)c1cccn1C1CCN(C(=O)COCC2CC2)CC1 69326239 QEKAAMBLDYPAPG-UHFFFAOYSA-N 320.389 1.865 0 40 DDAB FC(F)(F)c1ccnc(N2CCO[C@H](Cn3cccn3)C2)n1 69456698 MJBVSKQBBDGAHB-JTQLQIEISA-N 313.283 1.597 0 40 DDAB COc1cc(C(=O)N2CCCC[C@@H]2CNC(N)=O)ccc1C 69530660 TYNUOWKJYDCGAQ-CYBMUJFWSA-N 305.378 1.667 0 40 DDAB O=C1C[C@@H](NS(=O)(=O)c2ccccc2)CN1c1ccccc1 5221789 CMFZITSFEMBNCK-CYBMUJFWSA-N 316.382 1.770 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)Nc1n[nH]c(C(C)C)n1 69538802 NQFLQYOIWUARSN-UHFFFAOYSA-N 322.390 1.974 0 40 DDAB COc1ccc(N(C)C(=O)c2cccc(NC(N)=O)c2)cn1 65497880 LECBOLVLUISUTD-UHFFFAOYSA-N 300.318 1.857 0 40 DDAB COc1ccc(C2(CNC(=O)[C@@H]3CCOC3)CCOCC2)cc1 65542290 QFYPGDRRAHXCQN-CQSZACIVSA-N 319.401 1.896 0 40 DDAB CNC(=O)COC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 69656638 ULNYVRVOALPEBV-AWEZNQCLSA-N 318.417 1.619 0 40 DDAB COc1cc(C(=O)O[C@@H](C)C(N)=O)cc(Br)c1O 14124888 IGFYNACSCXHROG-YFKPBYRVSA-N 318.123 1.194 0 40 DDAB Cc1cc(S[C@H]2CS(=O)(=O)C[C@@H]2O)nc(C(C)C)n1 14202102 ZISXBOLALCPOMH-UWVGGRQHSA-N 302.421 1.158 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)c2ccccc2)C1=O 6543305 HADUAGLRZGYBHF-GFCCVEGCSA-N 317.389 1.974 0 40 DDAB CC(=O)c1cccc(OC[C@H](O)CNCC(C)(C)CN(C)C)c1 6548821 SWVJLLXHTRPJLS-MRXNPFEDSA-N 322.449 1.806 0 40 DDAB COc1cccc(CNC(=O)c2nc3c(s2)CCNCC3)c1 306142556 XCYVIFJOQKFEPH-UHFFFAOYSA-N 317.414 1.770 0 40 DDAB Cc1nc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cs1 69951068 VCALJMPESPOQNI-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB CN1CCCN(C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1 5931612 LCORMNPRSQEXAI-UHFFFAOYSA-N 314.389 1.020 0 40 DDAB COc1cc(C(=O)O[C@H](C)C(=O)NC(C)C)cc2c1OCCO2 7671894 DDAMCXUHXFEINV-SNVBAGLBSA-N 323.345 1.536 0 40 DDAB O=C(CCCc1ccccn1)N1CCC[C@H]1CN1CCOCC1 80919590 XIQBTTSFUQSCBD-KRWDZBQOSA-N 317.433 1.728 0 40 DDAB CC(=O)CCc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1 16337105 MBOSQDNHTDIUJZ-UHFFFAOYSA-N 315.377 1.620 0 40 DDAB COc1c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(C)nn1C 84013629 XVIXHJQGXCQSQI-UHFFFAOYSA-N 324.287 1.593 0 40 DDAB O=C(NCCN1CCCCC1)Nc1cnn(C[C@@H]2CCCO2)c1 79948311 ZQIBARJGXGZQFY-HNNXBMFYSA-N 321.425 1.670 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1F)Nc1nc2ccccn2n1 96004069 GFDPDSAPWVUJFF-GFCCVEGCSA-N 315.308 1.724 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[S@](=O)C1 84101444 KRUPUTFOTRPGBF-DYZYQPBXSA-N 307.824 1.448 0 40 DDAB NC[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(F)c1 97020551 VYYCSJSEYKAVJV-GXTWGEPZSA-N 300.399 1.763 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccco1)C3 19821265 MSOSYFIVYBJAMP-MRVPVSSYSA-N 311.297 1.128 0 40 DDAB CCCn1nc(C)c(C(=O)N2CC[S@](=O)C(C)(C)C2)c1C 96470540 QEPXUPULOULQKM-OAQYLSRUSA-N 311.451 1.893 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CCCN1c1nccs1 72278855 JWMHGVGOASFBIM-RYUDHWBXSA-N 317.418 1.440 0 40 DDAB Cc1cc(NC(=O)CSc2nnnn2C2CCOCC2)no1 71879392 KAFVOGODSPTVAS-UHFFFAOYSA-N 324.366 1.052 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCC[C@H](N2CCNC2=O)C1 71841640 VADXGGGXJBLTDX-NSHDSACASA-N 318.377 1.183 0 40 DDAB Cc1nc(C)c(CCNC(=O)NCC(=O)NCC(C)C)s1 71888452 RKXFEMIKXHQTKS-UHFFFAOYSA-N 312.439 1.374 0 40 DDAB CCOc1nnc(CN2CCN(C(=O)c3ccoc3)CC2)s1 71828130 RCLVJMLTZPOLMZ-UHFFFAOYSA-N 322.390 1.488 0 40 DDAB NC(=O)c1ccccc1COC(=O)c1cccc2c1OCCO2 72273560 UFRVMXZASFVODA-UHFFFAOYSA-N 313.309 1.914 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)NCC1(c2cccc(F)c2)CC1 72292551 SIQBPCHXDSKMTP-GFCCVEGCSA-N 317.368 1.837 0 40 DDAB O=c1[nH]c2ccccc2nc1Cn1cnc2ccsc2c1=O 97139454 TYJCVLYPDVSRMS-UHFFFAOYSA-N 310.338 1.743 0 40 DDAB COc1cccc(Cl)c1CC(=O)Nc1cc(C)[nH]c(=O)n1 97378952 XQNPRHHCFXSQKL-UHFFFAOYSA-N 307.737 1.922 0 40 DDAB NC(=O)c1ccnc(NC[C@@H]2CCN(CC(F)(F)F)C2)c1 95410648 CWWLIBDJBNMCCX-VIFPVBQESA-N 302.300 1.477 0 40 DDAB Cc1ccc(N2CC[C@H](Nc3nccn4cnnc34)C2=O)cc1 95404361 LNOJQYZQMUROAV-ZDUSSCGKSA-N 308.345 1.650 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CC[C@H](S(=O)(=O)NC3CC3)C2)o1 95434472 LTXXZILQEDBBOQ-UZYOAWRESA-N 324.402 1.284 0 40 DDAB O=c1ccn(Cc2nc(-c3ccccc3F)cs2)c(=O)[nH]1 95408404 ABIKBKZMJJKKOE-UHFFFAOYSA-N 303.318 1.848 0 40 DDAB O=c1c(Br)cncn1Cc1nc(-c2ccco2)no1 95414763 BZMNWVMNXTWUKW-UHFFFAOYSA-N 323.106 1.697 0 40 DDAB CN1C[C@@H](C(=O)NCCCN2CCc3ccccc32)CC1=O 73544828 FZCMEKYUOUQEHN-AWEZNQCLSA-N 301.390 1.034 0 40 DDAB COCCCNC(=O)CN(C)Cc1ccc(OC)c(Cl)c1 89350863 CISCNOZKRJATGK-UHFFFAOYSA-N 314.813 1.933 0 40 DDAB Cc1nn(C)cc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cc[nH]n1 75092965 IIZFGFFQZCXMIG-LBPRGKRZSA-N 318.381 1.235 0 40 DDAB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2 89518795 QGNVWBVTRFSSNB-NWDGAFQWSA-N 307.394 1.822 0 40 DDAB O=C([C@@H]1CN(Cc2ccoc2)Cc2cncn21)N1CC(F)(F)C1 306141213 VONOLEKLFKJADL-ZDUSSCGKSA-N 322.315 1.511 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306128980 HQFLNCAEOQBUBE-CQSZACIVSA-N 305.378 1.371 0 40 DDAB Cc1ccc(CNCc2c(C)nn(C)c2N2CCOCC2)cn1 65608354 QANQHROBWZUVAS-UHFFFAOYSA-N 315.421 1.558 0 40 DDAB Cc1[nH]n([C@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1 61718627 GULSWIZNDZSPQR-ZDUSSCGKSA-N 306.387 1.435 0 40 DDAB Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cnn1C 32873688 MBVAMTFJOQQPPK-GFCCVEGCSA-N 301.346 1.641 0 40 DDAB Cn1ccc(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)n1 79483191 VBHREYYFQKOOCO-UHFFFAOYSA-N 304.350 1.068 0 40 DDAB CC(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1 3852326 LIHUGFNJDOYCSB-GJZGRUSLSA-N 310.419 1.721 0 40 DDAB biogenic O=C(CCn1cccc1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524732151 ZHVBBJZULCMVQK-OWCLPIDISA-N 315.417 1.738 0 40 DDAB biogenic CO[C@]1(C(=O)O)CCN(S(=O)(=O)c2cccc(Cl)c2)C1 530150614 OSQASOXQWDIHCB-GFCCVEGCSA-N 319.766 1.204 0 40 DDAB O=S(=O)(CCc1ccccc1)NC[C@@H](O)Cc1ccccc1 70639303 YPFQQVYSEYHBBG-KRWDZBQOSA-N 319.426 1.752 0 40 DDAB O=C(CCN1C(=O)COc2ccccc21)NC1=NCCS1 32740571 QONNQKMOGSCOGZ-UHFFFAOYSA-N 305.359 1.021 0 40 DDAB O=C(NCCc1ccncc1)C1(n2cnnn2)CCCCC1 79474508 XGDRTHVIWMMSKE-UHFFFAOYSA-N 300.366 1.086 0 40 DDAB Cn1cccc1CNC(=O)CCN1C(=O)CC2(CCCC2)C1=O 79493229 VVKUHYVYFQHXAH-UHFFFAOYSA-N 317.389 1.351 0 40 DDAB Cc1nc[nH]c1CC(=O)N1CCCC[C@H]1CCS(C)(=O)=O 563708878 MWIXFXSGUZODFG-LBPRGKRZSA-N 313.423 1.076 0 40 DDAB NCC(=O)N1CCCC[C@H]1CNC(=O)OCc1ccccc1 79412237 HRCSLWYDJNHBES-AWEZNQCLSA-N 305.378 1.253 0 40 DDAB Cc1cnc(N2CCO[C@@H](C(=O)NCc3ccccc3)C2)s1 72366426 MQNLQDRENHXHQW-CQSZACIVSA-N 317.414 1.973 0 40 DDAB CCC(CC)C(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321052 BEGUNXPPCSLCJP-GDBMZVCRSA-N 320.389 1.610 0 40 DDAB biogenic,in-vitro CC(C)N1CCC[C@@H](Cc2ccc(NCC[S@](C)=O)nn2)C1 72387414 JQGWXVDJAOIBFZ-RCDICMHDSA-N 324.494 1.930 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@H](CO)O1 225551679 OTLWKVILVLPTQF-YUSALJHKSA-N 324.343 1.899 0 40 DDAB CN(Cc1ccco1)C(=O)CNc1cc(C(N)=O)c(F)cc1F 96453597 VLSSSCFFUPIRKH-UHFFFAOYSA-N 323.299 1.727 0 40 DDAB CN1CCC[C@H](CNS(=O)(=O)N(C)C)[C@@H]1c1cccs1 96428257 RXXFJJSXECQMJH-DGCLKSJQSA-N 317.480 1.527 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccco1)C2 96215148 WRKJXJWYCYLCKU-AWEZNQCLSA-N 312.391 1.310 0 40 DDAB COCC(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 96199629 IWWRFPZMUPLOQB-AWEZNQCLSA-N 302.374 1.298 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(Cl)cc1 96412811 PSACNWKLZNCXTN-VHSXEESVSA-N 301.795 1.988 0 40 DDAB CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccccn3)C[C@@H]21 96182603 UUWIXHOIJNVBEJ-OIISXLGYSA-N 314.433 1.112 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@]2(CCCC(=O)N2C)C1 96229702 PTSZHDFIPAMSNO-MRXNPFEDSA-N 305.378 1.909 0 40 DDAB Cn1cc(N2C[C@@H]3CN(Cc4cccs4)C[C@@H]3C2=O)cn1 96245241 YTUFFGNZGSIGFG-FZMZJTMJSA-N 302.403 1.576 0 40 DDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)cn1 96184611 TXOWJJXRWJZMDP-UONOGXRCSA-N 317.418 1.366 0 40 DDAB COC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 242437255 BVEMMXPFHBPUFB-LOWVWBTDSA-N 317.407 1.255 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2ccnc(-c3cc[nH]n3)c2)C1 257295738 QZQMMOGSNCWULN-LBPRGKRZSA-N 306.391 1.611 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 257240369 HTDBKOMQNFPFGM-CYBMUJFWSA-N 312.333 1.203 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)CCCn2ccnc2)n1 257274874 NMYNKTIOHDIQBQ-CQSZACIVSA-N 314.393 1.859 0 40 DDAB O=C(c1c(F)cccc1F)N1CCO[C@@H](c2cnccn2)C1 257278384 OCBBHBOSEHXDSK-CYBMUJFWSA-N 305.284 1.969 0 40 DDAB Cc1cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)ccn1 257237349 HGBNVWTTXMATLL-MRXNPFEDSA-N 314.389 1.967 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2coc(C)n2)CCO1 257301850 SAFMJUNVGUXJBC-LLVKDONJSA-N 303.322 1.028 0 40 DDAB COc1ccccc1CC(=O)N1CC[C@@](O)(CN2CCCC2)C1 257288132 PSZIRTFLYJLRRX-GOSISDBHSA-N 318.417 1.297 0 40 DDAB COc1ccc(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)cc1F 257211453 BYXMIMNKDWMNDF-QGZVFWFLSA-N 322.380 1.507 0 40 DDAB CCOC(=O)c1sc(=NC(=O)c2cc(C)n(C)n2)n(C)c1C 252461494 MVUMLVLHTPTXDG-UHFFFAOYSA-N 322.390 1.355 0 40 DDAB O=S(=O)(N1CCCC1)N1CCC[C@H](Cc2ccccn2)C1 257227899 FRLKDYMDLWAWAZ-CQSZACIVSA-N 309.435 1.677 0 40 DDAB O=C(NCCc1ccncc1)c1ccnc(O[C@@H]2CCOC2)c1 252487328 HUHLDUCWTAXXNI-OAHLLOKOSA-N 313.357 1.617 0 40 DDAB CCC(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 257215123 COUIBIQTNRNHBH-AWEZNQCLSA-N 313.361 1.925 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(c2ccc(F)cn2)C1 257231794 GIGLSFXXVUBKGH-SNVBAGLBSA-N 324.381 1.731 0 40 DDAB CCc1ncnc(O[C@H]2CCN(C(=O)Cn3cccc3)C2)c1F 390826556 AKSHQCVPCCBQNE-LBPRGKRZSA-N 318.352 1.660 0 40 DDAB COC(=O)CNC(=O)NCCc1ccccc1Br 58203187 NQLWSDQXJXRAGH-UHFFFAOYSA-N 315.167 1.464 0 40 DDAB O=C(CN1CCC[C@H]1CO)N(Cc1ccco1)CC(F)(F)F 69738757 NKMXUGGMBFJJPF-NSHDSACASA-N 320.311 1.627 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cn3cccnc3n2)n1 71870205 SAKAOULHTSUBTG-AWEZNQCLSA-N 324.388 1.847 0 40 DDAB O[C@H]1[C@H](NC2CCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952845026 ZCWXWIYOHUBBEO-OVYGPGRDSA-N 315.373 1.204 0 40 DDAB biogenic,in-vitro Cc1noc(C)c1CCC(=O)N1CCCN([C@H]2CCOC2)CC1 1565522141 SJAOMTRQIZWLKM-HNNXBMFYSA-N 321.421 1.547 0 40 DDAB O=C(C1CC1)N1CCN(c2ccncc2Br)CC1 548152700 XNFLKFFYSFRFHM-UHFFFAOYSA-N 310.195 1.903 0 40 DDAB CN(CCCO)S(=O)(=O)c1ccc(Br)s1 95988704 YEPBDHJNMFPGSU-UHFFFAOYSA-N 314.226 1.514 0 40 DDAB O=C(c1ccc(Br)o1)N1C[C@H]2C[C@H]1CS2(=O)=O 321893983 SGYMRWBZANHDDZ-NKWVEPMBSA-N 320.164 1.054 0 40 DDAB CCOC(=O)c1cc(C(F)(F)F)n2nc(C(=O)O)cc2n1 12395608 AIBJHPLDHYYNJV-UHFFFAOYSA-N 303.196 1.623 0 40 DDAB COc1cccc2c(C)nc(NC3=NCN(C(C)C)CN3)nc12 19330430 OCDDTFPGGICNTH-UHFFFAOYSA-N 314.393 1.943 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@H]1O 257306983 SWUJUPKWESXRMV-DAXOMENPSA-N 315.373 1.735 0 40 DDAB Cc1nnnn1-c1cccc(NCC(=O)N2CCCCC2)c1 29687312 AJSGJFJDFJTCFP-UHFFFAOYSA-N 300.366 1.395 0 40 DDAB O=C(c1cncnc1)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224282 UGYIJVFXVYXYAG-OKILXGFUSA-N 324.388 1.255 0 40 DDAB COc1ccnc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2086929631 HYAQUJUEBFHZLF-GFCCVEGCSA-N 306.410 1.959 0 40 DDAB Cc1ccc(-n2ccn(CC3CCOCC3)c(=O)c2=O)cc1F 2086968257 SDJYKMMWJQVGLL-UHFFFAOYSA-N 318.348 1.873 0 40 DDAB COc1cnc(O[C@H]2CCN(c3ncnc(C)c3C)C2)nc1 2087126142 UTDVBECGDFSXRO-LBPRGKRZSA-N 301.350 1.550 0 40 DDAB Cc1nccc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1 2087139260 OGYGUPVGTLFBKX-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB CC(C)CN1C[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@@H]2C1=O 1565554486 SOSQXNSXAWRNPZ-OLZOCXBDSA-N 317.389 1.738 0 40 DDAB Cc1cc(C)c(NC(=O)CSc2nncc(=O)n2N)c(C)c1 4338061 VLOVPTBWYVLYBO-UHFFFAOYSA-N 319.390 1.008 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)cc1F 5147526 UVEDRCCLGSADFS-UHFFFAOYSA-N 308.288 1.306 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)nn1 1775967512 VAMAEIHIWNWULP-SNVBAGLBSA-N 318.358 1.600 0 40 DDAB COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 206696670 AZUWBJHPVJJUJM-SECBINFHSA-N 321.445 1.417 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Cc1ccsc1)C2 606440612 GREIMDYOZBWGSW-ZDUSSCGKSA-N 316.430 1.820 0 40 DDAB O=S(=O)(C1CC1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390832204 YABPCALGGKAQGT-RYUDHWBXSA-N 308.403 1.948 0 40 DDAB CN(Cc1ccc(F)cc1)Cn1nc2n(c1=O)CCCCC2 40034704 DRYDKMKSXZSBCU-UHFFFAOYSA-N 304.369 2.000 0 40 DDAB Cn1cnnc1C1CCN(S(=O)(=O)c2cccs2)CC1 30596080 DPPKSPRHQTZTHE-UHFFFAOYSA-N 312.420 1.445 0 40 DDAB Nc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1 20365717 ILJVOWRGTDRVHD-UHFFFAOYSA-N 302.353 1.740 0 40 DDAB C[C@H](C(=O)N1CCNC1=O)n1nnc(-c2ccc(Cl)cc2)n1 31652817 OEOSUVSBLKOSBC-MRVPVSSYSA-N 320.740 1.106 0 40 DDAB CCN(CC)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 31815135 GCGZTWXQPCHCAG-UHFFFAOYSA-N 302.378 1.564 0 40 DDAB O=C1NCCN1C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 51450011 VHOTZHMJMWACJU-OAHLLOKOSA-N 307.369 1.349 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1 406768 XOKXOSXQHKFOAG-LFSVMHDDSA-N 316.744 1.792 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)[nH]1 20728284 WECBDOYDTYYALJ-NSHDSACASA-N 300.362 1.137 0 40 DDAB Cc1cccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 4399856 ZJFPNYQAZRMYPG-SOUVJXGZSA-N 301.390 1.723 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)c2ccc(C)nc2)cc1 4985520 XAFORDYPJOQKAK-UHFFFAOYSA-N 313.357 1.558 0 40 DDAB CSCC[C@@H](NC(=O)c1cnc2ccccc2c1)C(N)=O 6425187 BUFKURJYXCFBRD-CYBMUJFWSA-N 303.387 1.572 0 40 DDAB CN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)C1CCCCC1 102550331 VKCHXERZRDAZHZ-APYUEPQZSA-N 318.417 1.809 0 40 DDAB CC(C)n1nccc1NC(=O)Cn1nnc2ccccc2c1=O 22290571 UMFUQKMERXRJFO-UHFFFAOYSA-N 312.333 1.208 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@H]2CCC[C@@H]21 53373090 SSVQSQWAUREFJR-RYUDHWBXSA-N 319.386 1.238 0 40 DDAB C[C@@H]1[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)CCC[C@H]1C 103448747 LETUYZFPSYQLFJ-MDZLAQPJSA-N 317.393 1.071 0 40 DDAB CCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 22613153 ADBXDIHWASEGGE-QGZVFWFLSA-N 316.357 1.937 0 40 DDAB C[C@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1 46965736 XZNPPTNRNPZJCU-LBPRGKRZSA-N 301.350 1.198 0 40 DDAB O=C(NCCc1cc(F)cc2c1OCOC2)N1CCC[C@@H](O)C1 47070244 KQPIEPWMDNEJBJ-CQSZACIVSA-N 324.352 1.401 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@@H](C(F)(F)F)C1 47058770 NSNSJDUIYUJNCG-SNVBAGLBSA-N 317.315 1.872 0 40 DDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2nccs2)CC1 54620998 HXICQCXBGICLOV-ZDUSSCGKSA-N 308.451 1.666 0 40 DDAB O=C(NCc1cccnc1-n1cncn1)c1cccc2cn[nH]c12 47122144 UNMSVPYVEZJFJQ-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)O)ccc21 37407997 QGCDIBBJRDODAJ-UHFFFAOYSA-N 306.322 1.041 0 40 DDAB in-vitro CCN(CC)CCNC(=O)NC1CCN(c2ccccn2)CC1 47578196 RLGZCLAVHVYWQD-UHFFFAOYSA-N 319.453 1.691 0 40 DDAB O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)c2ccco2)C1 25318056 XLDKIUUSSWZEJG-ZDUSSCGKSA-N 313.357 1.843 0 40 DDAB Cc1csc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 43534107 XNEZTDJDAIQFDH-AWEZNQCLSA-N 316.430 1.800 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C 47679195 KWMODHADRPQXAP-JHJVBQTASA-N 319.471 1.392 0 40 DDAB CCCN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 47704160 VEIRBMVPXWOCNV-UHFFFAOYSA-N 301.412 1.398 0 40 DDAB C[C@@H]1NC(=S)N(CCOc2cccc3c2OC(C)(C)C3)C1=O 27223903 PULOOIQUYYZARX-JTQLQIEISA-N 320.414 1.884 0 40 DDAB CS(=O)(=O)NCCCNC(=O)Nc1cc(F)cc(F)c1 43881060 KASPYPRJLVUNNJ-UHFFFAOYSA-N 307.322 1.026 0 40 DDAB CCc1ncncc1C(=O)NCCN1CCc2ccccc2C1 44479353 PGGHRXBJJJLXSH-UHFFFAOYSA-N 310.401 1.827 0 40 DDAB COc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cn1 10092019 SSTXJWFKKIEEBN-UHFFFAOYSA-N 310.317 1.533 0 40 DDAB CCOc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 3242052 ZYXBNNFHOPHJFO-AWEZNQCLSA-N 307.346 1.537 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 44720038 LQNDTTCAQAJERV-GFCCVEGCSA-N 319.386 1.037 0 40 DDAB Cc1ccc(C)c(OS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1C 44760112 SKIZQNNNYWLBFV-UHFFFAOYSA-N 322.386 1.817 0 40 DDAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCC(C(N)=O)CC1 44853202 UAYMULGSMYPHCK-UHFFFAOYSA-N 306.410 1.592 0 40 DDAB C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)N1CCCC1 58268178 TZWHFEGRZAPIEG-SECBINFHSA-N 318.345 1.254 0 40 DDAB O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)CN1 48094413 JGKOQAYBKPKZKI-ZIAGYGMSSA-N 319.405 1.449 0 40 DDAB COc1cc(Br)c(OC)c(C(=O)OCC(N)=O)c1 23576723 JFEGHQWXMDIJQB-UHFFFAOYSA-N 318.123 1.108 0 40 DDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 44948246 VVNRAKDHFAMXTR-ZETCQYMHSA-N 322.308 1.541 0 40 DDAB COc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc2c1OCCO2 27868168 BHOOAQURBBWEIL-PWSUYJOCSA-N 307.346 1.764 0 40 DDAB CC(C)c1ccc(O)c(C(=O)NCc2nnc3n2CCC3)c1 58341811 SLGFINLIIMZSQV-UHFFFAOYSA-N 300.362 1.983 0 40 DDAB NC(=O)[C@@H](NCCNC(=O)CC1CCCC1)c1ccccc1 58418540 ATLKZCXOQCFLAP-INIZCTEOSA-N 303.406 1.499 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 28336196 VXMXRKWRLTVFOU-GHMZBOCLSA-N 320.393 1.530 0 40 DDAB COc1cccc(/C=C/C(=O)OCC(=O)N2CCOCC2)c1 3300198 RUPVUNNLZUTBKA-AATRIKPKSA-N 305.330 1.110 0 40 DDAB C[C@H](Cn1cccn1)NCCC(=O)N1CCc2sccc2C1 69377897 HTWMDNAEBQJQKM-CYBMUJFWSA-N 318.446 1.898 0 40 DDAB CC[C@H]1CN(CN2C(=O)NC3(CCCCCC3)C2=O)CCO1 12878348 OJLSJSAFAVMWAL-ZDUSSCGKSA-N 309.410 1.700 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCc2cncnc2C1 69489714 OHSXBMUZOLUYBN-CYBMUJFWSA-N 308.385 1.813 0 40 DDAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CNCCCO 4046843 YVHMDUOTURLDTR-RDJZCZTQSA-N 317.433 1.101 0 40 DDAB biogenic CN(C)CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O 6176963 OGVFUZXVQPUASW-CYBMUJFWSA-N 307.419 1.557 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nc(C2CC2)no1 69589741 HFTHKXVRVGPVCZ-KBPBESRZSA-N 304.394 1.922 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)Nc1nnc(C2CC2)s1 65406164 KEKPNTCDOVSMCB-UHFFFAOYSA-N 319.394 1.617 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCc2nccn2C1 65474215 LBGQIVMGFPWLIL-OZVIIMIRSA-N 313.357 1.543 0 40 DDAB CCOC1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1 65467567 OHXAGUMMHYFPEH-UHFFFAOYSA-N 300.362 1.908 0 40 DDAB COc1cc(CNC(=O)C2CCCCC2)ccc1OCC(N)=O 65462572 KPKIPUFWICXOMH-UHFFFAOYSA-N 320.389 1.756 0 40 DDAB C[C@@H](O)CNC(=O)C1CCN(Cc2noc(C(C)(C)C)n2)CC1 65435165 UKWBEOWCJIDSEU-LLVKDONJSA-N 324.425 1.076 0 40 DDAB Cc1nnc2n1CCN(C[C@H](O)COCc1ccccc1F)C2 69653081 RGWKKGAEKNMFEX-AWEZNQCLSA-N 320.368 1.119 0 40 DDAB C[C@@H]1C[C@H](N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)C(=O)O1 69631465 CJOBUMGNVIADME-SWHYSGLUSA-N 321.352 1.726 0 40 DDAB Cc1noc([C@H](C)NC(=O)COCCOc2ccccc2)n1 69630625 WXNYMOGPUQAIJL-NSHDSACASA-N 305.334 1.651 0 40 DDAB COC(=O)c1ncn(CN(C)Cc2c(F)cccc2Cl)n1 65603728 XUFDZHZXXQODGV-UHFFFAOYSA-N 312.732 1.947 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2c2ncnc3c2cnn3C)n1 69926088 ZZYMYERJEKGMBR-ZDUSSCGKSA-N 311.393 1.846 0 40 DDAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cn1 71280171 ZHAAJYKOMHRUMS-UHFFFAOYSA-N 314.345 1.164 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 71285766 QZRLGUKSNDKVBD-UWVGGRQHSA-N 310.737 1.734 0 40 DDAB CC(C)CCN1CCN(c2ncnc3nc(N)ccc23)CC1 90071295 HQRLIQTYHOZSTN-UHFFFAOYSA-N 300.410 1.775 0 40 DDAB CONC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 68119092 WOOZTSOJLXCPPJ-UHFFFAOYSA-N 301.224 1.888 0 40 DDAB NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)s1 7719090 YSOGKKYOAXNTAO-ZETCQYMHSA-N 317.208 1.991 0 40 DDAB Nc1nc(N)nc(COC(=O)c2cc3ccccc3s2)n1 7719702 GOEBLSHXJPSZHG-UHFFFAOYSA-N 301.331 1.608 0 40 DDAB CCOC(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12 16320675 JCFHXSYKOLEVAD-UHFFFAOYSA-N 318.358 1.236 0 40 DDAB c1ccc(-n2cnc(CN3CCC(c4nc[nH]n4)CC3)n2)cc1 92800286 QFERIJZTLNXONZ-UHFFFAOYSA-N 309.377 1.765 0 40 DDAB CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1 96008968 XSRAIVGXBXZPHK-GFCCVEGCSA-N 301.339 1.194 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)c1 71888925 MXVSFVDKAVZVAN-AWEZNQCLSA-N 316.401 1.890 0 40 DDAB Cc1noc(COCC(=O)NC[C@@H]2Cc3ccccc3O2)n1 71907504 NBUAGGSMSVAWKZ-LBPRGKRZSA-N 303.318 1.015 0 40 DDAB CC(C)[C@H](O)CNC(=O)Nc1ccccc1N1CCCC1=O 71921097 ZXHFTYNYUULRPN-CQSZACIVSA-N 305.378 1.952 0 40 DDAB NC(=O)NCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 9613736 XWLYQLGUBJEVOQ-UHFFFAOYSA-N 324.812 1.437 0 40 DDAB O=C(NCCCn1cccn1)[C@H]1CCC(=O)N1Cc1ccco1 72238365 QKQLPJIOAPEYIG-CQSZACIVSA-N 316.361 1.174 0 40 DDAB Cc1cnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)cn1 84258574 VBEPDWQOVPWPEW-UHFFFAOYSA-N 319.328 1.124 0 40 DDAB Cc1ccc(Cl)c(OC[C@H](O)Cn2nc(C)ccc2=O)c1 97375847 IHTZVPUYDOYJGA-GFCCVEGCSA-N 308.765 1.953 0 40 DDAB COc1cccc(CC(C)(C)NC(=O)c2cnn(C)c2N)c1 97376518 NHTUXVLLXPQAMQ-UHFFFAOYSA-N 302.378 1.762 0 40 DDAB Cc1oc(C)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1C 75606523 PYPLTXSLKQIXCC-LSDHHAIUSA-N 306.406 1.876 0 40 DDAB CCN(C(=O)NC[C@H]1CCCO1)[C@H](C)CS(=O)(=O)CC 75611705 BBKPCGSFCRZXPV-VXGBXAGGSA-N 306.428 1.020 0 40 DDAB CCCc1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)cc1 95409742 SYGIPNBOSFTSGJ-UHFFFAOYSA-N 310.419 1.716 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c(C)nn(C)c1C)CC2 95400733 VJHZCVBCVZKMOO-KGLIPLIRSA-N 321.421 1.429 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@H]1N(C)C 95402447 XVGUBBATRVSCKV-RBSFLKMASA-N 317.437 1.102 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@](=O)c2cccc(C)c2)C1 95417824 MQIUUDYNLIUBNA-RCDICMHDSA-N 322.430 1.230 0 40 DDAB O=c1[nH]c(=O)n(Cc2ncc(-c3ccccc3)o2)cc1Cl 76092691 NURSSZGVCMTMJB-UHFFFAOYSA-N 303.705 1.893 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1cccc(Cl)c1Cl 88375688 XOBVJUVIJBVRSJ-SECBINFHSA-N 304.129 1.919 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 95947312 JJCYPBIDAXZWDK-CYBMUJFWSA-N 321.396 1.955 0 40 DDAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1 74397995 FRXIYROCMWCXPV-ZYHUDNBSSA-N 317.374 1.400 0 40 DDAB COC(=O)[C@@H](C)[C@H](NC(=O)c1cn[nH]c1C)c1ccccc1 86231854 ONPYZKKIPMZXTI-HZMBPMFUSA-N 301.346 1.998 0 40 DDAB CCc1nnnn1-c1ccccc1NC(=O)N(C)CCCOC 75146721 JOWOKNPBWMPIQW-UHFFFAOYSA-N 318.381 1.725 0 40 DDAB O=C1N(CC2CC2)[C@@]2(NC13CCCC3)C(=O)Nc1ccccc12 89857849 KVSRNPDPRBHGBS-GOSISDBHSA-N 311.385 1.946 0 40 DDAB COCCOCCN(C)CCN1CCN(c2ccccc2)CC1 79443355 QPVXGRMNTXLDSR-UHFFFAOYSA-N 321.465 1.403 0 40 DDAB CCc1ncnc(Oc2cccc(C(=O)NCC(N)=O)c2)c1F 301996295 OQGSWYBSMBWZKQ-UHFFFAOYSA-N 318.308 1.186 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)N1 21473724 RIIJVOUFVUGWKI-QJPTWQEYSA-N 305.378 1.013 0 40 DDAB CCOc1ccc(OC[C@@H](O)CNC[C@@H]2CCCN2CC)cc1 25538604 JVXSYAHNRVHKSR-HOTGVXAUSA-N 322.449 1.899 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 21559372 HYUBFJISIJYPGP-GFCCVEGCSA-N 322.336 1.430 0 40 DDAB C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)OCO2 25583949 PVHGFAZEHZQOLX-LLVKDONJSA-N 300.314 1.454 0 40 DDAB C[C@]1(c2ccc(NC(=O)Cc3ccoc3)cc2)NC(=O)NC1=O 548122178 RDFLBUSQKPTKSI-MRXNPFEDSA-N 313.313 1.515 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccccc1 72237934 XJCJNKDVZFNULG-HOTGVXAUSA-N 314.341 1.494 0 40 DDAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)cc1 37732363 FCSXTOXHAYNWLU-AWEZNQCLSA-N 307.375 1.944 0 40 DDAB Cn1c(C(=O)O)c([C@@H](C(=O)O)N2CCOCC2)c2ccccc21 36353540 KDWQFNXMAULXAE-AWEZNQCLSA-N 318.329 1.334 0 40 DDAB CNc1cc([C@@H]2CN(Cc3coc(C)n3)CCO2)nc(C)n1 72387773 SLJSNUXUGHBRMX-AWEZNQCLSA-N 303.366 1.697 0 40 DDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 72239388 HTXGFTXJQBUSBZ-DOMZBBRYSA-N 321.446 1.432 0 40 DDAB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 31070199 SBTABEYHBUYAHV-GFCCVEGCSA-N 303.362 1.432 0 40 DDAB COc1ccccc1CNc1nc2c(C)nn(C)c2c(=O)n1C 32651447 LEYFLANEEHATCI-UHFFFAOYSA-N 313.361 1.596 0 40 DDAB O=S(=O)(c1ccc(Cl)cc1F)N1CCCn2ncnc21 78556776 YPXCARPJDVSUIF-UHFFFAOYSA-N 316.745 1.670 0 40 DDAB Cc1ncc(CN2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cn1 72370009 LBRYULRCHJQXLN-ZDUSSCGKSA-N 314.393 1.199 0 40 DDAB O=C(CCn1ccc2ccccc21)NCC1(O)CCOCC1 75229050 CIXMIVYTPPELIX-UHFFFAOYSA-N 302.374 1.689 0 40 DDAB CCCc1nnc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)s1 136733282 AOKAACBBMXTPFA-LLVKDONJSA-N 318.424 1.189 0 40 DDAB CCn1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)o2)cn1 72241040 ICXPWGUKPAGYLC-AWEZNQCLSA-N 316.361 1.934 0 40 DDAB CN(C)C(=O)CCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1 223297608 HUAIBHIDMYYOCK-INIZCTEOSA-N 303.362 1.164 0 40 DDAB COc1ccccc1N1CC[C@H](N(C)[C@H](C)C[S@](C)=O)C1=O 225726834 VUOMMTJAUJHUMW-BWFKNJDFSA-N 324.446 1.499 0 40 DDAB CN(C)C(=O)CNC(=O)Nc1ccc(N2CCCCC2)nc1 61397991 TWKUBKWDCAZNKI-UHFFFAOYSA-N 305.382 1.282 0 40 DDAB CCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 222539581 HLTOQSGKHLGVBW-UHFFFAOYSA-N 318.826 1.628 0 40 DDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(CC2CC2)C1 96244448 XECFKMGDGNFVBM-QGZVFWFLSA-N 302.422 1.735 0 40 DDAB O=C(c1ccncc1F)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200456 WWMUSIHCQQPYME-GJZGRUSLSA-N 301.321 1.434 0 40 DDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)CC4CC4)C[C@H]32)n1 96248843 OWQDVFSSNRKAIH-SJORKVTESA-N 315.417 1.602 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3cccnc3)C2)C1 96225516 QZRUPEMFMPCSHM-QGZVFWFLSA-N 316.405 1.669 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(C[C@H]2CCOC2)CC3)cn1 96255220 JQCCEGLLSPDYRH-CYBMUJFWSA-N 313.405 1.314 0 40 DDAB COc1ccc(CCn2c(=O)[nH]c3c(c2=O)CCC3)cc1OC 96347465 QFBKXVFUHNQRRI-UHFFFAOYSA-N 316.357 1.285 0 40 DDAB CCN1C[C@@]2(CNCCN(C(=O)Nc3ccccc3)C2)CC1=O 96143497 JTJDOTPWGHFVMO-KRWDZBQOSA-N 316.405 1.362 0 40 DDAB c1ccc(CO[C@@H]2CN(Cc3nccs3)[C@@H]3COC[C@H]23)nc1 96055891 BZDVUBSFDSHSLL-RRFJBIMHSA-N 317.414 1.954 0 40 DDAB Cc1nn(C)c(C)c1OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 96424022 IRDJVNGFNQUMSJ-VIFPVBQESA-N 319.283 1.353 0 40 DDAB CCN1CC2(CCN(Cc3ccco3)CC2)[C@@H](COC)C1=O 96208383 YFETYNBHTOWDAS-HNNXBMFYSA-N 306.406 1.987 0 40 DDAB CSc1nc2ncn(CCOCC(F)F)c(=O)c2s1 252509289 YJRIFDQBSZZGEL-UHFFFAOYSA-N 307.347 1.857 0 40 DDAB C[C@@H]1C[C@@H]1NC(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 252581795 MISBPLBNETWOBD-BSWAZPDLSA-N 315.417 1.690 0 40 DDAB CN1CC[C@@H](c2ncc(CNC(=O)CC3(O)CCCCC3)[nH]2)C1 257274510 NLJDWAVKBDJUBD-CYBMUJFWSA-N 320.437 1.530 0 40 DDAB O=C(CCc1ccc(F)cc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257317541 VKECZEZXZYYMFW-RDJZCZTQSA-N 307.365 1.901 0 40 DDAB O=C(CC1CCOCC1)N1CCOC[C@H]1CCc1cnccn1 257275375 NPBPOQNFFJUTSD-MRXNPFEDSA-N 319.405 1.453 0 40 DDAB CCCc1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)no1 257242099 IBCLDUFBABCNCD-FVQBIDKESA-N 321.421 1.735 0 40 DDAB Cc1ncoc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257337173 YRSOLFRBQDHCJX-MRXNPFEDSA-N 316.361 1.139 0 40 DDAB CS(=O)(=O)c1cccc(Br)c1N1CC(CO)C1 252510388 ZJEJHQMDHGIEDJ-UHFFFAOYSA-N 320.208 1.281 0 40 DDAB CSCC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCCC2)C1 575405847 UNCDKZANPGKDCO-ZDUSSCGKSA-N 322.434 1.188 0 40 DDAB Cc1cc(NC(=O)NC2CCN(c3ncccn3)CC2)no1 43177022 HCYPNSYHMFZBDW-UHFFFAOYSA-N 302.338 1.564 0 40 DDAB C[C@@H](C(=O)NC1CCN(c2ncccn2)CC1)n1cccn1 46610988 VKKVHUKCEIHLEH-LBPRGKRZSA-N 300.366 1.019 0 40 DDAB Cc1cc(NC(=O)N2CCN(Cc3c(C)noc3C)CC2)no1 48374408 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314.345 1.542 0 40 DDAB c1nc(NCC2CCOCC2)c2ncn(C[C@@H]3CCCO3)c2n1 2298048416 PPMMNNYVNZGEKQ-ZDUSSCGKSA-N 317.393 1.844 0 40 DDAB COc1cc(OC)nc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298179005 RKQLYZHGINNZPM-NSHDSACASA-N 322.409 1.625 0 40 DDAB CN1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 2298180900 ZFFGYVKGUSAIRA-UHFFFAOYSA-N 313.283 1.902 0 40 DDAB C[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccco1 75156216 CPLRLCCSJCPBCX-AWEZNQCLSA-N 303.343 1.922 0 40 DDAB CCOC(=O)c1ccc(Nc2nc3nonc3nc2NC)cc1 33499 PCGKZJVIRZSXGC-UHFFFAOYSA-N 314.305 1.975 0 40 DDAB Cc1nnc(NC(=O)c2ccc(C)c(-n3cnnn3)c2)s1 40268504 AFMDQFLTHRKYHA-UHFFFAOYSA-N 301.335 1.383 0 40 DDAB CN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 40467487 MQSGGRIGTFZVJA-OAHLLOKOSA-N 307.415 1.363 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCc1ccc(Cl)cc1 100540155 QGKIVHLGDKAKBZ-CYDGBPFRSA-N 307.733 1.610 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccco3)cn2)CCO1 40535974 QFNCPJUUMFCDQK-GFCCVEGCSA-N 301.346 1.830 0 40 DDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1 203767 JPMJBFARDARQBI-AWEZNQCLSA-N 322.430 1.710 0 40 DDAB NC(=O)N1CCC[C@H](C(=O)NCCCOCc2ccco2)C1 46043568 QCIBXJWCDNGFEE-LBPRGKRZSA-N 309.366 1.093 0 40 DDAB CN(CCOc1ccc(Cl)cc1)CC(=O)N1CCNC1=O 8120673 XZZQWOFATPSCRE-UHFFFAOYSA-N 311.769 1.202 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@H]2C[C@@H]2C)cc1OC 32474603 HKFDQQSIXBYFMO-DTWKUNHWSA-N 303.355 1.777 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cnsn2)C1 6205118 MBGUSSNRBSPUPU-JTQLQIEISA-N 311.411 1.650 0 40 DDAB O=C1OCc2cc(NC(=O)c3n[nH]c(=O)c4ccccc34)ccc21 8783067 ROSAQNCUWUYUNV-UHFFFAOYSA-N 321.292 1.846 0 40 DDAB O=C1C[C@H](n2nnn(-c3ccccc3F)c2=S)[C@H]2CO[C@H]1O2 103002517 JVUWSQQOVASZDK-WCQGTBRESA-N 322.321 1.193 0 40 DDAB C[C@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)CCO1 47130278 IIOXYXDWTCCBHQ-NSHDSACASA-N 308.334 1.224 0 40 DDAB COc1ccc(S(=O)(=O)NCCN2CCCCC2)cc1F 42645572 DTJBVCAXFLKLCB-UHFFFAOYSA-N 316.398 1.599 0 40 DDAB CCOC(=O)[C@H]1CCCN(CN2C(=O)C(=O)c3ccccc32)C1 24102933 CGMPTOWMMAWNTK-LBPRGKRZSA-N 316.357 1.449 0 40 DDAB C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCO2 54951552 FJPOFFNICJWLTN-SNVBAGLBSA-N 319.361 1.383 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cccnc1OCC(F)(F)F 24538903 CGHNNEKVEXSPAT-VIFPVBQESA-N 304.268 1.932 0 40 DDAB COc1ccc(NC(=O)CSc2nc(OC)cc(=O)[nH]2)cc1 59417363 AAAYTWZNUXLMPI-UHFFFAOYSA-N 321.358 1.518 0 40 DDAB Cn1cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1 25308069 PSOSJANRLFNRSI-UHFFFAOYSA-N 320.374 1.212 0 40 DDAB CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H]1CCOC1 106881044 XPJXLPATYHEVFN-GFCCVEGCSA-N 317.389 1.471 0 40 DDAB CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 54117041 JLLKVSDVAVJNGG-MCIONIFRSA-N 311.378 1.575 0 40 DDAB Cn1cccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 3295554 FLLMRBOLGSOYOH-UHFFFAOYSA-N 313.313 1.167 0 40 DDAB Cc1cccc(C(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 44866171 NSDKFQVPZKGKED-ZIAGYGMSSA-N 304.390 1.751 0 40 DDAB CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc21 12686700 BGJIUNRSQIUNJQ-AWEZNQCLSA-N 308.403 1.390 0 40 DDAB NC[C@@]1(N2CCOCC2)[C@H]2CCC[C@]21CNc1ccccc1 22860026 BXXYPDNFTDDLKA-OKZBNKHCSA-N 301.434 1.928 0 40 DDAB O=c1cc(I)cnn1[C@H]1CCCCO1 115022342 AWGCIDIZOBRSTM-SECBINFHSA-N 306.103 1.547 0 40 DDAB COc1ccc(OCc2noc(CN3CCOC[C@@H]3C)n2)cc1 44914572 SHMARXVQXCUBSB-LBPRGKRZSA-N 319.361 1.878 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 44940909 NRXGHJKXMQJMBG-LBPRGKRZSA-N 323.414 1.731 0 40 DDAB CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cnccn2)C1 58418029 VSYNHWKVSAIWIE-GFCCVEGCSA-N 320.393 1.854 0 40 DDAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)NC(C)(C)C 3348499 DADRUQOTPFOUES-UHFFFAOYSA-N 321.421 1.870 0 40 DDAB COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 28650541 HZHJVLOQBPIBLW-AWEZNQCLSA-N 308.378 1.212 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)NC[C@@H]1CCCO1 36618162 GEPHFERBNSUKCE-LBPRGKRZSA-N 304.346 1.670 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCCC[C@@H]1C(=O)O 36623942 YXBZNKKSXVLCOU-STQMWFEESA-N 307.394 1.886 0 40 DDAB O=C1CC[C@H](C(=O)NC2(C(=O)NC3CCCC3)CCCCC2)N1 2457457 ZEOOYAXDKLQXIB-CYBMUJFWSA-N 321.421 1.143 0 40 DDAB COCC(=O)NC1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 48288787 XOUHIGKDOSSDMZ-NSHDSACASA-N 310.398 1.481 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1=NCCS1 12782113 VBIMXBMKKJAQTK-JTQLQIEISA-N 307.375 1.520 0 40 DDAB Cc1noc([C@@H](C)N2CCN(CC(=O)NC3CCCC3)CC2)n1 69376200 WIOUCRJKLUOCGU-GFCCVEGCSA-N 321.425 1.115 0 40 DDAB Cn1nccc1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1 91428308 SJXNOTQTSHGTRL-UHFFFAOYSA-N 308.407 1.999 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)C(C)C)c1C 3545950 OPUQVIYQZUYSFP-SNVBAGLBSA-N 324.377 1.736 0 40 DDAB O=S1(=O)C[C@@H]2N=C(Nc3ccc(F)cc3F)S[C@H]2C1 3907022 KDOPJMAWZYJSHB-UWVGGRQHSA-N 304.343 1.645 0 40 DDAB Cc1c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc(O)ccc12 4062026 SQMWWMUHXZKECN-VIFPVBQESA-N 319.313 1.329 0 40 DDAB biogenic C[C@H]1CN(Cc2nnc(C3CC3)o2)CCN1Cc1nccn1C 69463641 ASNJLTQRSHBJRD-LBPRGKRZSA-N 316.409 1.387 0 40 DDAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1COCCO1 69420244 IYRLNPXSOJSACL-GFCCVEGCSA-N 317.370 1.982 0 40 DDAB Cn1cc(C(=O)NCc2cccc(OCC(F)F)c2)ccc1=O 69518634 KEIWLVPHGVSDHC-UHFFFAOYSA-N 322.311 1.959 0 40 DDAB C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(N)=O 17257394 WPBUTQJJGDXGPU-QMMMGPOBSA-N 313.737 1.461 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 69843657 AWJMZDAABCDYBM-QGZVFWFLSA-N 320.433 1.079 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 6542876 HJWCPKRZJBYYMD-MRXNPFEDSA-N 317.345 1.354 0 40 DDAB C/C=C\C(C)=C\[C@H](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1 14593389 ATUBIBZJAGAIBW-JRQBWORYSA-N 307.390 1.908 0 40 DDAB COc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 18198555 TXDLSOVTFWZIPE-UHFFFAOYSA-N 305.355 1.856 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CCN(C(=O)C2CC2)CC1 8736025 PJVWUJHKOWYAKM-UHFFFAOYSA-N 310.357 1.324 0 40 DDAB Cc1nc2sc(C(=O)NCCc3cnc[nH]3)c(C)c2c(=O)[nH]1 15919410 VLGHIBLOKCYHTO-UHFFFAOYSA-N 317.374 1.297 0 40 DDAB CCOC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 7812051 RYQYYCSWPFUIER-UHFFFAOYSA-N 321.402 1.531 0 40 DDAB Cc1ccc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 16222786 RPAYIUGLCGCEDI-VXGBXAGGSA-N 313.444 1.779 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(-n2cnnn2)cc1 7989446 PRFLBJCSOJALEL-UHFFFAOYSA-N 311.301 1.485 0 40 DDAB CC[C@H](C)[C@H](Nc1ccc2nnnn2n1)C(=O)OC(C)(C)C 96011410 NTBHNWQWNXGMPP-CABZTGNLSA-N 306.370 1.688 0 40 DDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)NC1CCCCCC1 9313459 GPQNYWLTMCLVMH-UHFFFAOYSA-N 307.394 1.894 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(C)on1)CC2 89986350 YEMISXYFJKITPP-KBPBESRZSA-N 308.378 1.304 0 40 DDAB O=C(NCCN1CCC[C@@H](C(=O)NCC2CC2)C1)C1CCCC1 84137298 ZDVKFBOQVVUYJF-MRXNPFEDSA-N 321.465 1.531 0 40 DDAB Cn1cc(Br)cc(NC(=O)NCC2CC2)c1=O 83583166 HTGCQYWHPPSVID-UHFFFAOYSA-N 300.156 1.679 0 40 DDAB CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 71796564 WBSKQAFCNQLEOO-OLZOCXBDSA-N 307.398 1.311 0 40 DDAB NC(=O)[C@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1 71793466 NPVCZEODYVXEOP-OAHLLOKOSA-N 321.336 1.485 0 40 DDAB CN1CC(=O)N(CCCC(=O)N2CC[C@H]2c2ccccc2)C1=O 71822695 MNCYHPLFGCSTMP-AWEZNQCLSA-N 315.373 1.634 0 40 DDAB CCOC(=O)c1ccc(N2CCC(n3cncn3)CC2)nc1 71899508 HJSZCJCTHAQREY-UHFFFAOYSA-N 301.350 1.691 0 40 DDAB CCCNC(=O)NC(=O)CNc1cccc(C)c1C(=O)OC 9647843 MOFPBGDVEPXCRL-UHFFFAOYSA-N 307.350 1.429 0 40 DDAB COC(CN(CCCO)C(=O)c1cc2ccccc2[nH]1)OC 97165127 FMMBYKQSKBHRFN-UHFFFAOYSA-N 306.362 1.611 0 40 DDAB CN(C)c1cc(CNC(=O)c2nccnc2N)c2ccccc2n1 76089316 YLRDFYGZPHVAFA-UHFFFAOYSA-N 322.372 1.603 0 40 DDAB COC[C@@](C)(NC(=O)[C@H](C)CN1CCOCC1)c1ccccc1 95453213 WIOHWKXEKMBDLZ-CRAIPNDOSA-N 320.433 1.633 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(C(N)=O)C1 95439520 SXBYETLDKGCRFE-GXFFZTMASA-N 309.797 1.788 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cn1 95404112 KQMLHRTYDABIAP-QAPCUYQASA-N 324.384 1.601 0 40 DDAB COC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC2(CC2)C1=O 95803720 ZOATYAJHHSXDPC-ZDUSSCGKSA-N 317.341 1.777 0 40 DDAB in-vitro CC(C)n1ccnc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 95986382 WXAXOLUCATVODG-GFCCVEGCSA-N 322.434 1.962 0 40 DDAB NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)c1 79015786 SYKPANNTWKLOHV-CABCVRRESA-N 312.373 1.646 0 40 DDAB Cc1cn2nnc(C(=O)N[C@H]3CCc4ccccc43)c2c(O)n1 75163990 VMSIRUUQEVMJKK-LBPRGKRZSA-N 309.329 1.556 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C 89651161 LWPDGAGGOKFPQE-GXTWGEPZSA-N 312.410 1.991 0 40 DDAB O[C@@H](CNc1cc(C(F)(F)F)ccn1)CN1CCOCC1 89884784 FWKKTCPIKYVWHX-NSHDSACASA-N 305.300 1.205 0 40 DDAB O=C1CO[C@H]2CN(C3CCOCC3)C[C@H]2N1c1ccccc1 67897063 GHGCHIIKLGYTSF-CVEARBPZSA-N 302.374 1.282 0 40 DDAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(C[C@H](O)COC2CCCCC2)C1 35088696 ODCLSMNDBFQLNF-CABCVRRESA-N 313.438 1.972 0 40 DDAB CCOC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 409113411 IBJPINUIUFDIGN-UHFFFAOYSA-N 315.391 1.659 0 40 DDAB COc1ccc2nnc(CCC(=O)N3CCCCCC3)n2n1 79501331 UVKFYRWAVXIFLS-UHFFFAOYSA-N 303.366 1.468 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 79412397 MNGFFFMMYKIFID-OAHLLOKOSA-N 319.405 1.595 0 40 DDAB Cc1c(-c2nnc(SCC(N)=O)o2)sc(=S)n1C 524733728 KTCZDJGWTYNUAP-UHFFFAOYSA-N 302.406 1.752 0 40 DDAB Cc1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)no1 75164247 YMYXJYBEXICRBN-ZDUSSCGKSA-N 315.329 1.349 0 40 DDAB O=S(=O)(c1cccnc1)N1CC(c2nc(C3CC3)no2)C1 70637055 UGZHGBXVXGLUIA-UHFFFAOYSA-N 306.347 1.130 0 40 DDAB CCn1cc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)nc1C 316653296 WEBHJRITGHUWHC-UHFFFAOYSA-N 323.374 1.639 0 40 DDAB Cc1noc([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 38671041 WQAVQOADYISECY-SNVBAGLBSA-N 301.302 1.670 0 40 DDAB O=C(O)COCC(=O)N1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 35442862 NYIHPTMGDPZDSF-VIFPVBQESA-N 321.308 1.119 0 40 DDAB biogenic,in-vitro Cc1cc([C@H](O)CNC(=O)C(=O)NCc2cccs2)c(C)o1 1565519204 AGVPBIRIKNICFO-CYBMUJFWSA-N 322.386 1.424 0 40 DDAB CN(C[C@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 79412341 QJTAFXJTNAEROX-OAHLLOKOSA-N 319.405 1.595 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)NC[C@@H]1CCCO1 521396419 WJOGCACRXBSRAJ-MROQNXINSA-N 310.394 1.537 0 40 DDAB Cn1ccnc1[C@@H]1CCN(Cc2nnc3n2CCCCC3)C1 562477078 AZTXGTIUPHSXSZ-CYBMUJFWSA-N 300.410 1.728 0 40 DDAB COC(=O)[C@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 45957873 NROGTTDNFQSLFM-AWEZNQCLSA-N 318.373 1.045 0 40 DDAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCCn1ccnc1 40815561 JYOHWAKSWVQMAX-AWEZNQCLSA-N 314.345 1.179 0 40 DDAB COc1nn(C)cc1C(=O)N(C)C[C@H]1Cc2ccccc2CO1 225788766 PHPNYDMJSWVUPT-CQSZACIVSA-N 315.373 1.642 0 40 DDAB COc1cncc(O[C@H]2CCCN(C(=O)Cn3cccc3)C2)n1 225499329 AJVBPZOJQCHQNZ-ZDUSSCGKSA-N 316.361 1.357 0 40 DDAB Cc1c(CN)c(NC(=O)c2ccc(-n3ccnc3)cc2)nn1C 1579532253 OEVDXKQRVHVTPW-UHFFFAOYSA-N 310.361 1.625 0 40 DDAB COCCN1CCCN(C(=O)c2ccc(OC)c(F)c2)CC1 48426833 BRVHHTNAMPETAR-UHFFFAOYSA-N 310.369 1.629 0 40 DDAB CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222566324 ZMUXFKBIDPSNBP-UHFFFAOYSA-N 302.371 1.114 0 40 DDAB COc1c(C(=O)NCc2cccnc2)nnn1Cc1ccccc1 96183481 RTVFGKYZLBWFIJ-UHFFFAOYSA-N 323.356 1.660 0 40 DDAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 96076246 LSXISEZYYZNQQS-KRWDZBQOSA-N 320.437 1.383 0 40 DDAB COc1ccnc(N(C)S(=O)(=O)c2cncc(Cl)c2)n1 330031659 CBUJIUJKRAZWEX-UHFFFAOYSA-N 314.754 1.359 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCn2nccc2C1 239593179 DSCDYYMVHSAZAA-GFCCVEGCSA-N 309.366 1.624 0 40 DDAB CN(C)c1ncc(NC(=O)COc2ccccc2)c(N(C)C)n1 96098756 CQDNHHPNEFJEGG-UHFFFAOYSA-N 315.377 1.626 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)CCn1nc(C)cc1C)CC2 97199211 MNWGJZICAXKBOQ-CYBMUJFWSA-N 316.409 1.175 0 40 DDAB COCC(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CN(C)Cc2ccco2)C1 96185358 QTPZWEHBYIITBB-BMFZPTHFSA-N 322.405 1.221 0 40 DDAB CCOC(=O)[C@H]1C[C@H](C)[C@@](C(=O)OCC)(S(=O)(=O)CC)C1 96532498 AFRYOMGRENBVHP-MJVIPROJSA-N 320.407 1.332 0 40 DDAB Cc1cc(CNC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(C)o1 96413106 BJEBFCUTCMXUSI-ZYHUDNBSSA-N 314.407 1.613 0 40 DDAB CCc1nnsc1C(=O)N1CCC(c2cnccn2)CC1 257257248 KOTDEAMARWQQMJ-UHFFFAOYSA-N 303.391 1.910 0 40 DDAB O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1CC1CC1 257273608 NHKBFZWMRVFDEF-QGZVFWFLSA-N 300.406 1.800 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(F)c1 257242428 ICLMQPYZPXQQIX-BZUAXINKSA-N 322.380 1.170 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccccc2Cl)[C@H]1O 257328580 XGHQHHSNDUINRG-UXIGCNINSA-N 313.781 1.716 0 40 DDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)n[nH]1 252552031 UMLADAHKNBFRFS-UZYOAWRESA-N 314.345 1.869 0 40 DDAB CC(C)OCCS(=O)(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252581644 HBQZUTCAFFUGLE-KKUMJFAQSA-N 316.467 1.157 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)CCCn2nc(C)cc2C)[C@H]1O 257266177 MBWRCMCVZJZAQB-IIAWOOMASA-N 309.410 1.277 0 40 DDAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 257288026 PSMAOHIFSMAVBQ-GFCCVEGCSA-N 315.377 1.840 0 40 DDAB CC1(c2ncc(C(N)=O)s2)CCN(c2cnccn2)CC1 257213742 CIXCOBSMXUTXKO-UHFFFAOYSA-N 303.391 1.590 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C1 257328377 XFJIFOXRCMNOBW-HNNXBMFYSA-N 314.788 1.547 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)COc2ccccc2Cl)C1 257331323 XSJJBNQAUSKRFE-OAHLLOKOSA-N 312.797 1.244 0 40 DDAB CCc1nccn1-c1ccc(C(=O)N2CCC[C@H](O)CC2)cn1 257219407 DGRDTACMZGZTNC-AWEZNQCLSA-N 314.389 1.817 0 40 DDAB CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)c2cnn(C(C)(C)C)c2)C1 263098264 QXGLDOUPEMWIOH-RYUDHWBXSA-N 309.366 1.342 0 40 DDAB COCCN1CCC(c2cnc(N3CCOC3=O)cn2)CC1 585178797 HBXXNVLFUODWGA-UHFFFAOYSA-N 306.366 1.259 0 40 DDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)N2CCOCC2)[C@@H]1O 585280632 MJZTZPSDHPCZEM-ZACQAIPSSA-N 318.417 1.117 0 40 DDAB COCCN1CC[C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1=O 585107811 CFXNSSPXENBCIM-GDBMZVCRSA-N 316.401 1.562 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)/C=C/c2c(C)nn(C)c2C)[C@H]1O 585290999 YUYKNKRLCGGUML-JGLIMEIRSA-N 321.421 1.437 0 40 DDAB COC(=O)Nc1cccc(NC(=O)NCCNC(=O)C(C)C)c1 47711255 NRXMDZQJDQQYAO-UHFFFAOYSA-N 322.365 1.759 0 40 DDAB O=C(Cn1c(-c2ccccn2)noc1=O)NCc1ccccc1 58277742 OYIUSJXKTPNZSA-UHFFFAOYSA-N 310.313 1.215 0 40 DDAB Cc1nn(C)c2ncc(CN(CC(N)=O)C3CCCC3)cc12 69161160 GXTPRQJDBWQJBR-UHFFFAOYSA-N 301.394 1.507 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCSCC1 69569214 JNYQKEGJUUBHCG-JSGCOSHPSA-N 322.430 1.454 0 40 DDAB Cn1ccnc1SCC1CCN(S(=O)(=O)C2CC2)CC1 90608239 RSRDBINOHDALJW-UHFFFAOYSA-N 315.464 1.716 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](CN)CCS2(=O)=O 91302952 XFQDYPAMJPTJSR-NSHDSACASA-N 318.439 1.150 0 40 DDAB CO[C@]1(CNC(=O)NCCOc2ccccc2)CCSC1 96097775 IIEWPBPOCJIOKX-HNNXBMFYSA-N 310.419 1.887 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)Cc1ccc(C)cc1 96025968 CFIHDRIBMTZIAX-CYBMUJFWSA-N 303.449 1.528 0 40 DDAB COc1cc(OC)nc(N2CCN(c3ccccc3)CC2)n1 269471173 BMFXZIQFUGGVBI-UHFFFAOYSA-N 300.362 1.820 0 40 DDAB O=C(CN1CCC[C@@H]1c1ccsc1)N[C@H]1CCCCNC1=O 106075114 DIIHDYGMWANUCU-UONOGXRCSA-N 321.446 1.670 0 40 DDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(F)cc1 5040480 KESYIIVILWDRBQ-MRVPVSSYSA-N 304.281 1.382 0 40 DDAB Cc1cc2c(o1)c1cnn(CCC(N)=O)c(=O)c1n2C(C)C 12131877 DANUNVVIHKSDTA-UHFFFAOYSA-N 302.334 1.709 0 40 DDAB CCCN1CC2=C(C1=O)[C@@H](c1ccc(O)c(OC)c1)NC(=O)N2 12154308 LGBRBARMKVWDFN-CQSZACIVSA-N 317.345 1.261 0 40 DDAB Cc1nc(C)n([C@H](C)CNC(=O)[C@@H]2OCOc3ccccc32)n1 12195374 TUEAUHCFPLPXST-MEBBXXQBSA-N 316.361 1.680 0 40 DDAB NC(=O)C1CCN(C(=O)Cc2cc(-c3ccccc3)on2)CC1 12862192 PJOVOFBMRWVXCA-UHFFFAOYSA-N 313.357 1.608 0 40 DDAB O=C(CN1CCCN(c2ccccn2)CC1)Nc1nccs1 19657779 DMCVPHPKMMLKLC-UHFFFAOYSA-N 317.418 1.689 0 40 DDAB CCOP(=O)(OCC)c1ccc(OS(C)(=O)=O)cc1 2525539 YRROAECJPUDQID-UHFFFAOYSA-N 308.292 1.916 0 40 DDAB c1ccc2c(N3CCN(CCn4ccnn4)CC3)nsc2c1 1888897456 WUPRARAUJDWLPN-UHFFFAOYSA-N 314.418 1.710 0 40 DDAB Cc1cccc(OC[C@H]2CCCN([C@H]3CCN(C)C3=O)C2)n1 1848570850 POMJRBJGRQWOKJ-GJZGRUSLSA-N 303.406 1.712 0 40 DDAB COc1ccc([C@H]2CCCN2S(=O)(=O)N(C)C)c(OC)c1 27961489 QOAJDTVYPMLLCX-CYBMUJFWSA-N 314.407 1.647 0 40 DDAB CN1C[C@]2(CCN(C(=O)c3ccccc3Cl)C2)COCC1=O 2037985342 GTTAYRHWJPYXJE-INIZCTEOSA-N 322.792 1.661 0 40 DDAB COc1ccc(CN2CCN(c3ncc(F)cn3)C[C@H]2C)cn1 2086903795 AHWXHXTWKLCYJX-GFCCVEGCSA-N 317.368 1.730 0 40 DDAB O=C1C[C@H](C(=O)Nc2cccc3ccccc23)n2ncnc2N1 4815668 CYNDNERXVRAVDI-CYBMUJFWSA-N 307.313 1.953 0 40 DDAB O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1 10220568 RAFXQAFTSVIOIV-LBPRGKRZSA-N 315.366 1.790 0 40 DDAB O=C(Cn1cnc2ccccc21)N[C@@H]1CCN(c2ccccn2)C1 206828323 BCWAPYBBKIQKJL-CQSZACIVSA-N 321.384 1.826 0 40 DDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccco1 44003482 HQVUZFDYPHAAMC-UHFFFAOYSA-N 312.391 1.214 0 40 DDAB O=C(CN1C(=O)CCC1=O)NC1(c2cccs2)CCCC1 575413731 DPXYKQVKKJGQRZ-UHFFFAOYSA-N 306.387 1.783 0 40 DDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 156549 QRSMKUPJAVMUSX-UHFFFAOYSA-N 319.313 1.853 0 40 DDAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCSCC1 40540654 VLOUMSJJFPPYCF-CYBMUJFWSA-N 311.403 1.342 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 40512149 MPWRAXQUISRTTN-JOYOIKCWSA-N 309.329 1.703 0 40 DDAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1 215009 MGCBXJBYTSHXQT-UHFFFAOYSA-N 311.382 1.997 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3C(c4cccnc4)=NO[C@H]3C2=O)c(C)c1 101358944 QECXBLNTEYYVAF-GOEBONIOSA-N 321.336 1.991 0 40 DDAB C[C@@H](SC[C@@H](O)c1ccccc1)C(=O)NC(=O)NC1CC1 69454371 RJMDYXUEGOUUIW-ZWNOBZJWSA-N 308.403 1.830 0 40 DDAB CCc1cccc(NC(=O)CNS(=O)(=O)N(C)C(C)C)c1 69705468 ZPSJZMXQVDJIAM-UHFFFAOYSA-N 313.423 1.362 0 40 DDAB CNC(=S)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 418398 IUFFPGRIZMLZND-UHFFFAOYSA-N 319.430 1.444 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 1678277 YPXHSERXWVIZGK-SMDDNHRTSA-N 322.361 1.528 0 40 DDAB CCC[C@@H](C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O 1685776 ZBLWBROJIZFBDD-NSHDSACASA-N 311.359 1.563 0 40 DDAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NN1CCOCC1 373649 ZHRSHGLGTMHIEF-UHFFFAOYSA-N 318.299 1.143 0 40 DDAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1C 2663804 JEDGKFLKESEBLF-UHFFFAOYSA-N 305.407 1.886 0 40 DDAB CC(C)CN(CC(N)=O)CC(=O)NCc1cccc(Cl)c1 46512431 FIXODHKJDLHPIQ-UHFFFAOYSA-N 311.813 1.400 0 40 DDAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccccc3)nc2n1 3542212 BILWLABEBNZFKC-UHFFFAOYSA-N 310.313 1.781 0 40 DDAB NC(=O)COC(=O)COc1ccc(Cl)cc1Br 6888693 MJXQHPOOXAITGC-UHFFFAOYSA-N 322.542 1.510 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 10339074 RCVXOXZXYLFJON-VIFPVBQESA-N 312.333 1.014 0 40 DDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc[n+]([O-])c1 21866942 OMIQIPGOOAKRRV-UHFFFAOYSA-N 316.357 2.000 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)c1nncn1C 46825713 BHNFEMYZRHXIKO-LLVKDONJSA-N 318.381 1.558 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccnc2)c1 24359630 ZIRFOEOHJODQCS-LLVKDONJSA-N 320.370 1.908 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 55199308 UTGLQEGERFUOCY-LRDDRELGSA-N 318.373 1.296 0 40 DDAB Cc1ccc(NCC(=O)N2CCNC2=O)cc1Br 12522689 CSXJFKLIMWXALQ-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)NCCc1ccccc1 24925157 DCUXUFZLAXZBKK-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB CC(C)C(=O)N1CC[C@H](N[C@@H](C(N)=O)c2ccccc2)[C@@H](C)C1 107058632 GUVMFHPHDDKSMJ-CWRNSKLLSA-N 317.433 1.696 0 40 DDAB CCc1nc(CCNC(=O)NC2CCN(C(C)=O)CC2)cs1 69533085 PLGXQSLOVDPCBG-UHFFFAOYSA-N 324.450 1.558 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N3CCO[C@H](C(=O)O)C3)cc2C1 43702297 XYTVADQQOPZADS-KOLCDFICSA-N 309.387 1.799 0 40 DDAB O=S1(=O)CC[C@@H](NCc2csc(Br)c2)C1 35251407 DYQVMCXNESVLDK-MRVPVSSYSA-N 310.238 1.787 0 40 DDAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cnn1C 12678142 NUHIECISDKOPNM-UHFFFAOYSA-N 322.390 1.231 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc2c(c1)CCO2 69571103 YYLWRGGDXVZUIC-CJNGLKHVSA-N 319.357 1.632 0 40 DDAB Cc1ccc(C)c2c(C)c(C(=O)N3CCOC[C@H]3C(N)=O)oc12 91781824 AHEIVFQQZGPIPM-LBPRGKRZSA-N 316.357 1.684 0 40 DDAB NC(=O)[C@H](OC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1 10045748 FTNNZMVAWIWFPP-CQSZACIVSA-N 317.272 1.938 0 40 DDAB CCCCCc1nnc(NC(=O)c2ccc(=O)n(C)n2)s1 3349505 KTNRXUDLBPCHIP-UHFFFAOYSA-N 307.379 1.617 0 40 DDAB Cn1ccnc1[C@@](O)(CC(=O)Nc1ccccn1)C(F)(F)F 58198156 YTHYYOPBROZINU-LBPRGKRZSA-N 314.267 1.594 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O 58282813 HWVNKFSILMDMGZ-LLVKDONJSA-N 324.402 1.277 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 22273101 FCMHMTNLUFKZRH-CYBMUJFWSA-N 312.435 1.984 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccco2)[nH]n1 44955723 OUIPDAZRNUWLGP-NSHDSACASA-N 304.350 1.560 0 40 DDAB Cc1cc2n(n1)C[C@H](CNC[C@@H](CO)Cc1ccccc1)CN2 58329508 XLBCXJRCWRQPLY-DLBZAZTESA-N 314.433 1.674 0 40 DDAB C[C@@H](NC(=O)NCc1cccnc1-n1cccn1)[C@@H]1CCCO1 48253114 XGJUEHGWALBYNF-OCCSQVGLSA-N 315.377 1.634 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)NCc1cc[nH]n1)N(C)C 48231625 VJZSURPQXWIWEX-CQSZACIVSA-N 317.393 1.520 0 40 DDAB COc1ccccc1CN(C)C(=O)N[C@@H]1CCCCNC1=O 45666053 NZCOYGLOQFOBRF-CYBMUJFWSA-N 305.378 1.505 0 40 DDAB NC(=O)NC(=O)CNc1ccccc1SCC(F)(F)F 36702479 NLNCGEIXRNOFQB-UHFFFAOYSA-N 307.297 1.948 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F 48333840 DEZMAVSHULHQGD-IINYFYTJSA-N 324.331 1.583 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CCOC2)c1 45743361 FXWSMNASCYANML-SNVBAGLBSA-N 301.364 1.019 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3456713 KUTNNJDDUQSYBC-OAHLLOKOSA-N 323.780 1.632 0 40 DDAB CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccccc1 3522783 AXLZZTHQGITFMS-SECBINFHSA-N 319.390 1.641 0 40 DDAB COc1cccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)c1 3584007 DNXKJIUWDOGVGU-UHFFFAOYSA-N 307.394 1.751 0 40 DDAB COCCN1CCN([C@H](C)C(=O)NCC2CCCCC2)CC1 69843106 DFBBIYACNHZJTA-OAHLLOKOSA-N 311.470 1.335 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCc2ccccc21 13793996 NWYOZNDVDVNQSI-HNNXBMFYSA-N 322.430 1.780 0 40 DDAB Cc1ccccc1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C 8855579 UEKMPICLUSPJLN-UHFFFAOYSA-N 324.388 1.491 0 40 DDAB Cc1nn(CN2CCN(c3ncccn3)CC2)c(=S)s1 14128541 WSHZDUJWCYKDRF-UHFFFAOYSA-N 308.436 1.552 0 40 DDAB CCN(Cc1cc(C)c(C(=O)OC)o1)[C@H]1CCS(=O)(=O)C1 65611824 RPWOIEUZAYUZFL-NSHDSACASA-N 315.391 1.384 0 40 DDAB CCNC(=O)N(C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 5451064 NHJPJHXRPVVXGJ-UHFFFAOYSA-N 320.349 1.915 0 40 DDAB Cc1noc(C)c1COC(=O)Cc1n[nH]c(=O)c2ccccc12 6648054 KTLLAVJQBWHORW-UHFFFAOYSA-N 313.313 1.814 0 40 DDAB C/C(=C\C(=O)N[C@@]1(C)CCS(=O)(=O)C1)c1ccc(F)cc1 96256207 GDESUIYARLJVLI-GDXASINISA-N 311.378 1.922 0 40 DDAB O=C1Nc2ccccc2/C1=c1\sc2nc3ccccc3n2c1=O 16524207 DVBSBOVUDQBXJS-BUHFOSPRSA-N 319.345 1.779 0 40 DDAB Cc1cccc2c(=O)[nH]c(CSc3nnc(N)s3)nc12 8066844 UKRDQZIXQBDDHT-UHFFFAOYSA-N 305.388 1.958 0 40 DDAB CCOC(=O)c1nnc2ccccc2c1N1CCN(CC)CC1 76018347 HFOZPJCSAVKDBK-UHFFFAOYSA-N 314.389 1.948 0 40 DDAB Cc1cnn(CCNCC(=O)N2CCC[C@H]3CCCC[C@H]32)c1 70008363 CWHJUQCOVMPBEJ-HZPDHXFCSA-N 304.438 1.962 0 40 DDAB CC[C@@H](C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449791 GERWMFUSRLLTHJ-ANYFNZRUSA-N 314.407 1.599 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@H](c1cc(C)sc1C)C(C)C 83609309 JIKMVMBBGKUQJM-ZDUSSCGKSA-N 318.464 1.727 0 40 DDAB COc1ccccc1[C@H]1CCN(S(=O)(=O)c2cn[nH]c2C)C1 96415067 ADDBEBYSQKTPNN-LBPRGKRZSA-N 321.402 1.905 0 40 DDAB COc1ccc(C)cc1NC(=O)COC(=O)c1nccnc1N 9514195 DDPGUHBWPRKWTC-UHFFFAOYSA-N 316.317 1.171 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccc(F)cc1 71877706 IUAQTHRGGPWZMY-TZMCWYRMSA-N 322.336 1.382 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cccn1)NCc1ccccn1 71875316 YSBRIKPJAIRLAF-MRXNPFEDSA-N 313.405 1.449 0 40 DDAB CCN1CCN([C@@H](C)CNCc2c[nH]nc2C(C)(C)C)CC1 71819583 VAVGUOBQHZUUBK-AWEZNQCLSA-N 307.486 1.823 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)c1ccc(SC(F)F)cc1 72096346 HHDBDSMCQCNFND-QMMMGPOBSA-N 300.330 1.962 0 40 DDAB CCc1nc([C@H]2CCCN(c3cc(C)nc4ncnn34)C2)no1 72279236 QSPGOWPGCHKXGY-NSHDSACASA-N 313.365 1.762 0 40 DDAB Cc1nn(CCO)c(C)c1CNCc1ccc(N(C)C)nc1 97159877 JGWLGGDSDOSUGM-UHFFFAOYSA-N 303.410 1.243 0 40 DDAB Cc1noc([C@H]2COCCN2C(=O)c2ccc(Cl)cn2)n1 97163972 PVZYFMDNLZNRSP-LLVKDONJSA-N 308.725 1.640 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)cn1 72300131 FTPKEGLEKCKFCM-CHWSQXEVSA-N 312.439 1.321 0 40 DDAB NC(=O)[C@H]1CCCN1C[C@H](O)COCc1ccc(Cl)cc1 72319279 UWJCXGCHBLFHMF-UONOGXRCSA-N 312.797 1.167 0 40 DDAB O=S(=O)(Nc1cncnc1-n1cccn1)c1ccccc1 97379402 ZZDZBHZEPCBSGM-UHFFFAOYSA-N 301.331 1.463 0 40 DDAB Cc1nncn1CCNC(=O)/C=C/c1cn(C)c2ccccc12 78972045 WZYUCMGCYFSMSD-BQYQJAHWSA-N 309.373 1.908 0 40 DDAB C[C@@H]1CC[C@H](C(=O)N(C)C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 95385698 HXPJSSLOTCRUHK-FAAHXZRKSA-N 314.385 1.927 0 40 DDAB CN(C)c1cc(C(=O)NCc2nc(-c3ccccn3)no2)ccn1 95394938 NZMXBHHFVGKIHQ-UHFFFAOYSA-N 324.344 1.523 0 40 DDAB O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-n2cnnc2)cc1 95981022 OQVWNWIVYBMKAB-MRXNPFEDSA-N 322.368 1.601 0 40 DDAB CC[C@@](C)(CC(=O)O)NC(=O)c1ccc(Cn2cccn2)o1 95970253 MGDKKDSWDSDCPT-HNNXBMFYSA-N 305.334 1.898 0 40 DDAB CN(C)CCC1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 95939434 YRFUPKBSDXBAAF-CQSZACIVSA-N 304.456 1.159 0 40 DDAB CCNC(=O)c1ccc2ncc(I)n2c1 75103772 HXNXCGWNSUCRGO-UHFFFAOYSA-N 315.114 1.689 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 28577327 DIHKYKBBXHMULZ-LBPRGKRZSA-N 317.432 1.077 0 40 DDAB Cc1ccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 89635060 WKSWMJFVUMBEAN-UHFFFAOYSA-N 318.421 1.623 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2)n1 20615806 QKFVYHOTAGWFNF-NSHDSACASA-N 317.301 1.064 0 40 DDAB Cc1noc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 32895092 RDCHKFVZVHUCLQ-MRXNPFEDSA-N 312.329 1.662 0 40 DDAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)O)=N1 408993182 VOXXPRIYLITSMX-LBPRGKRZSA-N 305.359 1.264 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CNC[C@H]1c1ccccc1 521596872 MMEDYJNSTGTPFK-UONOGXRCSA-N 321.402 1.325 0 40 DDAB CC(C)N(C(=O)CN)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392942 GSTONUDYUSYSHC-HNNXBMFYSA-N 319.405 1.593 0 40 DDAB N[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218559537 SPGUCVKARSNSDL-OWCLPIDISA-N 321.373 1.455 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 79391396 FVWYMSITWXTNBF-STQMWFEESA-N 313.442 1.685 0 40 DDAB CCOC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC 218595959 AIFNAENWTBVKJZ-HZSPNIEDSA-N 301.383 1.460 0 40 DDAB Cn1c(S)nnc1CNC(=O)[C@@H](c1ccccc1)C1CC1 152442122 VYUKGGSPKKCGAQ-ZDUSSCGKSA-N 302.403 1.914 0 40 DDAB CN(C)CCn1ccc(C(=O)N2CCCc3cccc(O)c32)n1 563384722 GFFVBUAJWMQTPK-UHFFFAOYSA-N 314.389 1.743 0 40 DDAB Cc1nnc(CCC(=O)N[C@H](CN2CCCC2)C(C)(C)C)[nH]1 32519450 GAUFUTBGXNNOKG-CYBMUJFWSA-N 307.442 1.672 0 40 DDAB CCOC(=O)Cn1ncc2c3oc(C)cc3n(CC)c2c1=O 72335345 ZMYQSSXMRGJALJ-UHFFFAOYSA-N 303.318 1.836 0 40 DDAB CO[C@@H]1COCC[C@@H]1CN1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O 561261830 ZXCOFFHMTKEXEW-RGDJUOJXSA-N 308.378 1.101 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1 42645743 KDVWHEFIBMATJO-SECBINFHSA-N 315.167 1.275 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCCc3ccccc3)c(=O)nc2c1 136832181 VZQLFUBOKRRBBL-UHFFFAOYSA-N 323.352 1.681 0 40 DDAB COc1ccc(C)cc1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 44869785 DNFVZHWUYLCGNZ-OAHLLOKOSA-N 311.403 1.240 0 40 DDAB CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 47213360 DZNAFEIJDHVNKC-UHFFFAOYSA-N 314.382 1.315 0 40 DDAB C[C@H](CCCN)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 567848563 MPXFBXBTLLHVCZ-LLVKDONJSA-N 318.352 1.229 0 40 DDAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCC(O)CC2)C1 222284110 MOZQADQIYPOORR-QGZVFWFLSA-N 318.373 1.562 0 40 DDAB O=C(O)[C@H]1C[C@H](NS(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 572274417 AAOPGQFKBCJNGB-GUBZILKMSA-N 311.350 1.595 0 40 DDAB Cn1ncc2c(N3CCC(C4(C)OCCO4)CC3)ccnc21 330032256 KBKAMPVFXJLYFV-UHFFFAOYSA-N 302.378 1.948 0 40 DDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCc1cc(F)c(F)c(F)c1 195574576 DUXDWJLBHCLDJB-UFBFGSQYSA-N 323.336 1.743 0 40 DDAB O=C1CC(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1 190499693 WOVMJMDTINBAQD-UHFFFAOYSA-N 312.373 1.186 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1cccnc1 96055218 BABJFZUNUDAGBC-OKZBNKHCSA-N 319.449 1.639 0 40 DDAB O=C(C1CCCC1)N1CCN(CCN[C@@H]2CCSC2)CC1 96477533 BZTFIHCINWPKTQ-OAHLLOKOSA-N 311.495 1.416 0 40 DDAB Cc1ccc2nc3c(cc(C(=O)Nc4ccon4)n3C)c(=O)n2c1 96347371 XCGRNWLJWNFIMB-UHFFFAOYSA-N 323.312 1.735 0 40 DDAB Cc1nnc([C@@H]2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3O2)o1 96070470 KUMCDDIVEUJUJB-SDDRHHMPSA-N 318.333 1.585 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)[nH]n1 96454792 ROPTYWGUPIQTSB-CQSZACIVSA-N 320.437 1.403 0 40 DDAB O=C(c1ccno1)N1CCc2ncnc(-c3ccncc3)c2CC1 96255245 OAEULOKKLYJVPH-UHFFFAOYSA-N 321.340 1.768 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2 96215092 FTPYOFRAMWHVNZ-HNNXBMFYSA-N 309.435 1.472 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)c4cscn4)C[C@@H]32)n1 96216426 FDFATBDJFZPBHM-HOSYDEDBSA-N 320.374 1.164 0 40 DDAB COC[C@H]1CN(C(=O)NCc2ccc3c(c2)CCC3)CCO1 96439087 HLMAAQVYQNJTLW-MRXNPFEDSA-N 304.390 1.732 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc(F)cc1F 98063840 PLRBUWIEQQPRAS-UHFFFAOYSA-N 308.240 1.463 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc(C)oc3C)CCO2)n1 96432802 ORZDTPMJYXJQIU-AWEZNQCLSA-N 318.377 1.646 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257300887 RWBAHJJFGUHOJS-AWEZNQCLSA-N 311.345 1.808 0 40 DDAB COc1ncc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)cn1 257332301 XWRMATQKBFMVPG-BBRMVZONSA-N 304.394 1.508 0 40 DDAB C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CNC(=O)c1ccon1 252487562 HXQUULOCAQMVJO-MFKMUULPSA-N 318.333 1.333 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]cn3)C[C@@H]21 257244012 IJMGDBIWPIXGKC-MBNYWOFBSA-N 312.377 1.187 0 40 DDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1nccs1 257272417 NCIGIOGPYUZJCI-OAHLLOKOSA-N 317.418 1.513 0 40 DDAB C[C@@H](NC(=O)c1cccc(OCC(=O)O)c1)c1cnn(C)c1 262895829 ZMDFVQVCBLLTCG-SNVBAGLBSA-N 303.318 1.375 0 40 DDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCC[C@H]2CCc3ccccc3N2)O1 623073706 NPPAMQMDUCUMPT-YUELXQCFSA-N 318.373 1.552 0 40 DDAB CCn1ccnc1CN1CCC[C@]1(COC)CC(=O)N(C)C 585276803 QOQASCURVJUCOT-MRXNPFEDSA-N 308.426 1.362 0 40 DDAB O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OCCN2Cc1cccnc1 585107704 DLECJWUAXGWXME-ZWKOTPCHSA-N 323.396 1.807 0 40 DDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1c(C)noc1C 585094804 NLQPCISSSRXWFA-LBPRGKRZSA-N 318.377 1.629 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1 53197924 PMDYEZDMNBGLJR-UHFFFAOYSA-N 312.373 1.051 0 40 DDAB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(-n2cncn2)cc1 58299910 DTIJMIOADGVCFX-ZIAGYGMSSA-N 323.404 1.856 0 40 DDAB CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)[nH]1 69527951 MVNPDDAFJCYYOM-UWVGGRQHSA-N 324.337 1.090 0 40 DDAB CN1CCC[C@@H](NC(=O)CSCC(=O)c2ccccc2)C1 72278385 YQAHCFAWPTZXAY-CQSZACIVSA-N 306.431 1.813 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)no1 72299651 DWTQMHDXNJYMLT-VIFPVBQESA-N 320.374 1.770 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2ccc(F)cc2Cl)C1 72314826 SUXRRZTZFZIUIZ-SECBINFHSA-N 313.760 1.615 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2F)CCO1 97081853 VUMFXTSJRDERQR-JTQLQIEISA-N 300.717 1.066 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 5968576 FFLXBNFRQNGMHI-QLFBSQMISA-N 301.390 1.723 0 40 DDAB C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 12345620 YJBMESSSMLPELD-AMIZOPFISA-N 321.764 1.171 0 40 DDAB C[C@H](NC(=O)c1ccccc1F)c1ccc(S(N)(=O)=O)cc1 15555858 MRVUFEWTKFMQGW-JTQLQIEISA-N 322.361 1.964 0 40 DDAB COc1ccc2cc3c(nc2c1)N(NC(=O)CCC(=O)O)CC3 16778452 UPVUEOUOPYKZDD-UHFFFAOYSA-N 315.329 1.502 0 40 DDAB O=C(CN1CCSCC1)N1[C@H]2CC[C@@H]1Cc1nnsc12 19014511 PHCPOWCNYVBSKY-KOLCDFICSA-N 310.448 1.175 0 40 DDAB COCC(=O)N1CCC(c2nnc(-c3ccc(C)nc3)o2)CC1 19215224 UKFOSZUKUURSOE-UHFFFAOYSA-N 316.361 1.792 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Oc2cccnn2)C1 225455374 LATGOUAQYZPAEN-CYBMUJFWSA-N 316.361 1.694 0 40 DDAB O=C([C@@H]1C[C@@]12CCOC2)N1CCC(O)(Cc2ccncc2)CC1 517570998 KHVJLRCCZJOGML-DOTOQJQBSA-N 316.401 1.404 0 40 DDAB CC1(C)C[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)C(C)(C)O1 529220926 AHXUJGFFXWOHHM-LBPRGKRZSA-N 322.409 1.741 0 40 DDAB O=C([C@@H](O)[C@H](O)/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 253397904 GFAFRFYCGGHOIB-BDHHJBHZSA-N 319.357 1.163 0 40 DDAB biogenic,in-vitro O=C(NCc1cccnc1)C1=NN(c2ccccc2)C(=O)CC1 536962 OAOWBVAXFLCLOT-UHFFFAOYSA-N 308.341 1.881 0 40 DDAB O=C(CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1 40496727 QNXFNVSTSQKIRI-UHFFFAOYSA-N 303.284 1.487 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cnn4ccccc34)CC[C@H]2C1 1565550403 BZRWODLXICYPCD-XJKSGUPXSA-N 314.389 1.127 0 40 DDAB O=C(CC1(O)CCC1)N1CCc2ncnc(-c3cccnc3)c2C1 1565556839 ZXFAGAFUESTGKN-UHFFFAOYSA-N 324.384 1.728 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)cc1 2710755 XQVVTYRVPVWLGD-GHMZBOCLSA-N 306.387 1.813 0 40 DDAB CC(C)(C)OC(=O)N1CCN(C2CCS(=O)(=O)CC2)CC1 115051676 ACBACNKKKMSXRS-UHFFFAOYSA-N 318.439 1.116 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nc3ccccc3[nH]2)CC1 2086867472 PTJNTYHDFQRWEW-ZDUSSCGKSA-N 315.421 1.598 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCO[C@H](c2ccc(F)cc2)C1 31178255 CEHSVWAAICFXOW-AWEZNQCLSA-N 302.305 1.728 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2C)o1 31553960 UPJNZZNFIHDZAQ-UHFFFAOYSA-N 322.386 1.469 0 40 DDAB Cn1c(N2CCNCC2)nc2sc3c(c2c1=O)CCCC3 31947332 BITQHOCNCJHLOM-UHFFFAOYSA-N 304.419 1.283 0 40 DDAB CC[C@@H]1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)NC1=O 246342 JYBUWMFENDETRX-UHFFFAOYSA-N 319.386 1.705 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)cc1 32229233 YGGWZEAKVMWBGI-NSHDSACASA-N 313.375 1.713 0 40 DDAB N=C(NNS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)F 1697251 FSSYSLVLIPAXLE-UHFFFAOYSA-N 317.239 1.644 0 40 DDAB CC(C)(C)[C@H](Cn1cccn1)NC(=S)NC[C@H]1CCCO1 2770829 BQZPLNDTWPEGJJ-OLZOCXBDSA-N 310.467 1.941 0 40 DDAB Cn1c(S)nc2cc(C(=O)NCC(F)(F)F)ccc2c1=O 102337379 IUDWRVXEQLCNOP-UHFFFAOYSA-N 317.292 1.514 0 40 DDAB O=C(NC[C@H](O)COc1cccc(F)c1)Nc1ccccn1 46497976 AODLGGLVKWBBLZ-LBPRGKRZSA-N 305.309 1.782 0 40 DDAB COC(=O)c1ccoc1COc1cc(OC)ccc1C(N)=O 32899099 WSABBVRQYKNGII-UHFFFAOYSA-N 305.286 1.753 0 40 DDAB CC(=O)OC1[C@H]2C(=O)[C@H]3[C@H]4C=C[C@H]5C4C4[C@H]3[C@H]2[C@H]2[C@@H]1C(=O)[C@H]5[C@@H]42 104289698 KDWQSRJKZWENCT-UJUUVFIYSA-N 310.349 1.102 0 40 DDAB O=C(CCNc1ncnc2[nH]cnc12)NCCc1ccccc1 12296815 TUTSJQCIYORKCG-UHFFFAOYSA-N 310.361 1.514 0 40 DDAB biogenic O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 8569856 NBRGDDVSPPXIBE-CYBMUJFWSA-N 302.330 1.115 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)N[C@H](C)Cn2cccn2)cc1 89904370 ARUILTSVCNZIIX-DOMZBBRYSA-N 318.377 1.313 0 40 DDAB Cc1csc(CNC(=O)NC[C@@H](O)COc2ccccc2)n1 41492112 YLEUOUXQJVZNOB-GFCCVEGCSA-N 321.402 1.691 0 40 DDAB O=C(O)[C@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 33451398 JZOPIRRCFNZKCY-GFCCVEGCSA-N 305.330 1.466 0 40 DDAB CCN1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)CC1=O 53348229 RVQIIASOCLPVBN-CYBMUJFWSA-N 320.389 1.231 0 40 DDAB C[C@]1(NC(=O)c2ccc(Br)o2)CCS(=O)(=O)C1 22548715 ILPZTYXLIXKTOR-JTQLQIEISA-N 322.180 1.349 0 40 DDAB COC(=O)Cn1ncc(N(C)C2CCCCC2)c(Cl)c1=O 3181104 RSQBXNFBMYKAFA-UHFFFAOYSA-N 313.785 1.839 0 40 DDAB O=C(NCCc1ccc(O)cc1)c1cnn(-c2ccccc2)n1 54040772 UTIWCFUGYAOASM-UHFFFAOYSA-N 308.341 1.945 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cnsn1 47815943 ALPIWLALGFAJMJ-UHFFFAOYSA-N 310.423 1.303 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3ccco3)CC2)C1=O 108532293 PSFRHLKMKVTDCJ-QGZVFWFLSA-N 320.389 1.771 0 40 DDAB CCOC(=O)CCCNC(=O)COC(=O)c1cccc(C)c1O 3292295 HGNOYYWWUDNJMC-UHFFFAOYSA-N 323.345 1.317 0 40 DDAB Cc1cccc(N2CCN(C(=O)CCn3cncn3)CC2)c1C 12615684 MWFBLYLKYSVQFR-UHFFFAOYSA-N 313.405 1.634 0 40 DDAB CN(C)C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cnn(C)c3)C2)C1 107244585 PIALDQWYQDQAQP-ZBFHGGJFSA-N 323.416 1.338 0 40 DDAB CCn1cc(NC(=O)NC[C@@H](O)COc2ccccc2)cn1 43637149 ZVXGXECLRFCIEN-CYBMUJFWSA-N 304.350 1.464 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O 1795929 JYLONKSMICIFOZ-SECBINFHSA-N 307.368 1.310 0 40 DDAB in-vitro CN1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O 44295510 UEWTXWYSQKGHLE-CYBMUJFWSA-N 319.380 1.343 0 40 DDAB COc1ccc(S(=O)(=O)c2cnc(SC)nc2N)cc1 57477998 YDOWLOJWDBWUKR-UHFFFAOYSA-N 311.388 1.622 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1 26918243 HDRIEHMAWWQTPO-AWEZNQCLSA-N 312.373 1.620 0 40 DDAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O 58175740 DWDWSXHXZHNZRL-UWVGGRQHSA-N 308.334 1.090 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN1Cc1ccccc1 58209076 NUKXBBVIQGSCEN-OAHLLOKOSA-N 317.433 1.682 0 40 DDAB COc1ccc(C)cc1[C@@H](O)Cn1nnc2ccccc2c1=O 58202719 GUJDSQPUPREJCW-HNNXBMFYSA-N 311.341 1.842 0 40 DDAB COC[C@@H](C)N(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 44970030 CTXMJEXAVYTXBB-SNVBAGLBSA-N 306.341 1.822 0 40 DDAB CCOc1cc(S(=O)(=O)N[C@@H](CC)CO)ccc1Cl 11566173 HQHSMDJNXZKOKO-VIFPVBQESA-N 307.799 1.788 0 40 DDAB Cc1ccc2c(CC(=O)NCCN3CCN(C)CC3)c[nH]c2c1 69491697 YKPVIFNNNBYJCK-UHFFFAOYSA-N 314.433 1.382 0 40 DDAB CC(C)Cc1nc(C(=O)NCCCN2CCN(C)CC2)cs1 69811832 FWDNUGGJEAIQMU-UHFFFAOYSA-N 324.494 1.709 0 40 DDAB COC(=O)c1ccc(CCNC(=O)c2ccc3[nH]nnc3c2)cc1 25077694 VVPHKUDWBGUJRS-UHFFFAOYSA-N 324.340 1.717 0 40 DDAB Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCCNC3=O)c2)cs1 64098495 KFOFWWDWVVDHGD-JTQLQIEISA-N 304.375 1.455 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(OCC(N)=O)cc2)c1 69511093 DNHMGGDEMKICEY-UONOGXRCSA-N 316.405 1.795 0 40 DDAB CN(C)C(=O)CNCC1CCN(C[C@@H](O)c2ccccc2)CC1 69597902 SRATZCJDDDLCQE-QGZVFWFLSA-N 319.449 1.110 0 40 DDAB C[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1ccc(F)cc1 69667218 KOYHYNNLOFNAHP-WFASDCNBSA-N 321.396 1.972 0 40 DDAB CC1=NN(C(=O)COc2ccccc2)[C@@](O)(c2cccnc2)C1 4498343 ZJZQGBLVASUQJJ-KRWDZBQOSA-N 311.341 1.914 0 40 DDAB Cc1ccc2cc(CN(C)C(=O)[C@H]3CCCO3)c(=O)[nH]c2c1 8579324 RTQMSUNKXGJFGR-OAHLLOKOSA-N 300.358 1.974 0 40 DDAB COC(=O)c1ccc(CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 5365495 PNXBCHKILVURJM-UHFFFAOYSA-N 304.302 1.172 0 40 DDAB CCn1c(C)cc(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c1C 14113144 LQJHFCDNARGKQY-ZDUSSCGKSA-N 303.362 1.734 0 40 DDAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1CCC(=O)N1 4689145 UFXKTFFJFSQFCM-CXAGYDPISA-N 323.437 1.341 0 40 DDAB COCCN(Cc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 66493643 ODGDHYJZPQIVOM-LBPRGKRZSA-N 319.373 1.600 0 40 DDAB COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 5872745 DAHATUBFKLCPFT-UHFFFAOYSA-N 308.359 1.954 0 40 DDAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc3c(c2)CCC3)n1 7385684 YSMPCLCAZXSSBW-UHFFFAOYSA-N 318.402 1.888 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc2occc(=O)c2c1 71287273 JWCKSEQJKLYKIU-UHFFFAOYSA-N 311.253 1.534 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 71284283 NWAQMSULAOFQPH-NXEZZACHSA-N 310.737 1.734 0 40 DDAB CCCCN(CCO)C[C@H](O)COc1cccc(C(C)=O)c1 68045847 YXTNWPKZEKPPHK-INIZCTEOSA-N 309.406 1.723 0 40 DDAB CC(=O)N[C@@H]1CCCN(c2cncc(-n3ccnc3C)n2)C1 92891208 KQSMTJQLZUQLLT-CYBMUJFWSA-N 300.366 1.076 0 40 DDAB O=C([C@@H]1CCCN(CCCc2ccncc2)C1)N1CCOCC1 96012916 KLFSLJSHFURNBN-QGZVFWFLSA-N 317.433 1.585 0 40 DDAB Cc1cc(CN2C[C@H]3[C@@H](C2)OCCN3C)ccc1-n1cncn1 93641530 DMHIKHOLRXILLZ-DLBZAZTESA-N 313.405 1.091 0 40 DDAB O=C(CN1CCSC[C@@H]1c1ccccc1)N1CCOCC1 71909058 GVCDHSIYEPGZDU-OAHLLOKOSA-N 306.431 1.635 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCC2(O)CCCCCC2)C[C@@H](C)O1 87089634 MBOPJUUSISNIFP-BETUJISGSA-N 320.455 1.015 0 40 DDAB Cc1ccc2ncc(C(=O)N3CCC[C@@H]3c3nncn3C)n2c1 97032431 FOHKLDSQBDJRCI-GFCCVEGCSA-N 310.361 1.749 0 40 DDAB COc1ncccc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97143723 TUXIQHDPLDMFQM-UHFFFAOYSA-N 323.356 1.848 0 40 DDAB C[C@@H](CO[C@H]1CCOC1)NC1CCN(c2nccs2)CC1 97237667 AGMNSGDVWHZFRL-JSGCOSHPSA-N 311.451 1.896 0 40 DDAB c1ccc(-c2nnn(Cc3nc(Cn4cccn4)no3)n2)cc1 84569306 SCPAXJNUKFOUAB-UHFFFAOYSA-N 308.305 1.016 0 40 DDAB CC1(C2CCN(c3cc(-n4ccnc4)ncn3)CC2)OCCO1 79076509 ONRQCISCJZPERS-UHFFFAOYSA-N 315.377 1.642 0 40 DDAB C[C@@H](NC(=O)Cn1c(=O)oc2cccnc21)c1cccs1 79062074 ADXRQJNOKVFUDW-SECBINFHSA-N 303.343 1.928 0 40 DDAB COc1cc(C(=O)N[C@H](C)[C@@H](CO)SC)cc(OC)c1C 95426686 KJMAEVBGOSVVHP-QMTHXVAHSA-N 313.419 1.854 0 40 DDAB Cc1cc(Nc2cnn(CC(=O)N(C)C)c2)nc(C(C)C)n1 95414905 NPFKFQYBZXEJLN-UHFFFAOYSA-N 302.382 1.937 0 40 DDAB CCN1CCO[C@@H](C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 73846494 BOIZOWMNBIXUFE-NVXWUHKLSA-N 320.408 1.937 0 40 DDAB COC(=O)C[C@H]1CN(Cc2cccc3cccnc23)CCO1 89400727 KKHPNALMYIJNHY-HNNXBMFYSA-N 300.358 1.999 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc2nonc12)c1ccncc1 32578732 MMHUEKJTZSTQMY-VIFPVBQESA-N 304.331 1.657 0 40 DDAB CCn1c(SCc2ccccn2)nc2cnn(C)c2c1=O 36615140 WJAIGKSMJIKORO-UHFFFAOYSA-N 301.375 1.837 0 40 DDAB O=C(NCc1ccncc1)c1c(O)n2c3c(cccc3c1=O)CC2 1323056 KMBUVXAWYKUIEY-UHFFFAOYSA-N 321.336 1.588 0 40 DDAB biogenic O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCC1CC1 524733941 HAVDMKBRQKURQP-ZDUSSCGKSA-N 301.346 1.044 0 40 DDAB c1cnc2[nH]c([C@@H]3CCCNC3)c(CN3CCOCC3)c2c1 72394706 GNFFVPWNYPZQDP-CYBMUJFWSA-N 300.406 1.862 0 40 DDAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccco1 72324393 ULTVOBZPBZOUTE-GFCCVEGCSA-N 315.373 1.924 0 40 DDAB CC(=O)Nc1ncc(S(=O)(=O)NCc2ccco2)s1 32617384 GLGVZDBIHFQGFS-UHFFFAOYSA-N 301.349 1.173 0 40 DDAB C[C@H]1C[C@H](c2ccccc2F)N(CCN2C(=O)CNC2=O)C1 75900692 RVTYUYUWMDHXRW-SMDDNHRTSA-N 305.353 1.760 0 40 DDAB CCN(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccccc1 36393233 XTDKWSZDUJGJBB-HNNXBMFYSA-N 303.406 1.293 0 40 DDAB CCOC(=O)C1=NN(c2ccc(OCC)cc2)[C@@H](C(=O)O)C1 71979388 FXVDLTDTEOEVOG-CYBMUJFWSA-N 306.318 1.668 0 40 DDAB Cc1cc(C)nc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72364548 FXPUKDALYLBAPI-LBPRGKRZSA-N 321.406 1.353 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1(CN)COC 218537833 CDXPMXLRYGCAKL-MELADBBJSA-N 301.383 1.318 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1F 72241600 UJHABYLHDXKADC-HOTGVXAUSA-N 320.364 1.783 0 40 DDAB O=C(Nc1ccnn1-c1ccccc1)[C@H]1CC(=O)N(C2CC2)C1 524769542 JPGBWKTUUNRCFC-LBPRGKRZSA-N 310.357 1.822 0 40 DDAB O=C(O)[C@H]1CCCN1C[C@@H](O)COCc1ccccc1Cl 568060106 RAEVCHGKCPRBBI-TZMCWYRMSA-N 313.781 1.767 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCc1ccsc1 132109175 SSEPMMLBCDMPSD-GFCCVEGCSA-N 316.448 1.221 0 40 DDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)Cc2ccsc2)n[nH]1 225556700 AAAXMTDTJUNFLF-CYBMUJFWSA-N 318.402 1.866 0 40 DDAB O=C(NCCc1nc(=O)o[nH]1)C1CCc2ccccc2CC1 529208989 UTTWFCYYTRFORG-UHFFFAOYSA-N 301.346 1.217 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cnccn1 44226068 RPMMLZOGIPZTFC-KOLCDFICSA-N 320.374 1.213 0 40 DDAB C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1F 48495804 QUSAFPHNJBPJLM-LURJTMIESA-N 319.130 1.024 0 40 DDAB C[C@H](Oc1nn(C)c2ccccc12)C(=O)NC1CCC(O)CC1 226755252 AGPQWPSNPPTZCZ-HIFPTAJRSA-N 317.389 1.760 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccccc2OC)c1=O 225967554 HNNGWHPYNFKHHT-UHFFFAOYSA-N 316.313 1.620 0 40 DDAB CCN(CC)C(=O)[C@H](C)N1CCC([C@H](O)c2nccn2C)CC1 89926182 ACNVHLPIGGOHMZ-ZFWWWQNUSA-N 322.453 1.422 0 40 DDAB CN(C)C(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238807 DZQHIGPBBYVLKQ-INIZCTEOSA-N 305.353 1.936 0 40 DDAB COc1cc(C2(C(=O)NCCNC(=O)C3CC3)CC2)ccc1C 96402623 HLZLRECPESGAQX-UHFFFAOYSA-N 316.401 1.678 0 40 DDAB CN(C)c1ccc(Cl)cc1NC(=O)NCC[S@](C)=O 96435030 OOPOZYXFUKDCEU-LJQANCHMSA-N 303.815 1.906 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1c2ccccc2C[C@@H]1C 96427212 NNAZUIPMAFQXIY-LRDDRELGSA-N 324.446 1.708 0 40 DDAB COCCN1CC2(CCN(c3ncccn3)CC2)C[C@H]1COC 96207737 PCMWHCAPYOEFDZ-HNNXBMFYSA-N 320.437 1.430 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3ccncc3)C2)C1=O 96224021 LZFRTTDCWAXBDU-KRWDZBQOSA-N 317.389 1.183 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3C)cc1 96183782 GXBROAUDFWCYPZ-CABCVRRESA-N 322.430 1.804 0 40 DDAB O=C(Nc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475302 PADJDLKGBWEDSG-LLVKDONJSA-N 321.340 1.950 0 40 DDAB O=C(c1cccnc1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 96159529 JDEHIJYDEHUIEW-GOSISDBHSA-N 322.368 1.746 0 40 DDAB O=C(CNC(=O)[C@@H]1CCN1Cc1ccccc1)Nc1cccnc1 96427189 LZWGFTBEVUBHEG-INIZCTEOSA-N 324.384 1.411 0 40 DDAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2cnccn2)COC1 96112603 DVGRJJPCMGABNS-LBPRGKRZSA-N 323.356 1.636 0 40 DDAB biogenic,in-vitro COC(=O)c1cc(I)cc(CC(=O)O)c1 95764695 JLOMCIVWOUXCGK-UHFFFAOYSA-N 320.082 1.705 0 40 DDAB CC(C)CCNC(=O)CN(C1CCCCC1)S(C)(=O)=O 243281473 LASTZOPRYSQNDY-UHFFFAOYSA-N 304.456 1.743 0 40 DDAB Cn1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1 257227426 FPFIMKODJRFOTL-CYBMUJFWSA-N 301.350 1.382 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2cnccn2)ccn1 257245021 INUMSFIGRXASIR-CQSZACIVSA-N 311.345 1.807 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 253472360 LNBGMQULOBWNDZ-WXYGJPRGSA-N 323.414 1.913 0 40 DDAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2cscn2)C1 257318151 VMRUSQVMFHLALR-SNVBAGLBSA-N 303.391 1.610 0 40 DDAB O=C(NCCn1cc(-c2ccccc2)cn1)c1ccc(=O)[nH]n1 253472418 MDDLRFPHVVKRJD-UHFFFAOYSA-N 309.329 1.063 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 253389996 GNUFFVCAOMQKFA-TUUVXOQKSA-N 315.373 1.192 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2cscn2)CCO1 257291555 QHNBIDXWVNOHTB-SNVBAGLBSA-N 305.363 1.189 0 40 DDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c(O)c1 257267649 MIFYCZBWHPIOCH-IIAWOOMASA-N 322.405 1.243 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 257322715 WHBJUHGELPHGMS-CYBMUJFWSA-N 301.350 1.071 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1c1cc(N(C)C)nc(C)n1 257343352 ZSOGSQWKLFBKKD-CYBMUJFWSA-N 312.439 1.728 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2)no1 257297818 RIXFAHVLIXUHEP-UXIGCNINSA-N 302.330 1.346 0 40 DDAB COc1ccc2[nH]c(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2c1 263218645 YGVUGZGGBPDSPK-CYBMUJFWSA-N 304.302 1.102 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260910208 XHUPVKVROUVSKK-COPLHBTASA-N 308.403 1.513 0 40 DDAB COC(=O)c1occc1CN1C(=O)C(=O)N(CC(C)C)C1=O 279356587 FRRWEUBGHNYZRA-UHFFFAOYSA-N 308.290 1.013 0 40 DDAB O=C(NCCc1ccoc1)C(=O)Nc1ccc2c(c1)OCO2 96096838 UEKKBTREWZDOBS-UHFFFAOYSA-N 302.286 1.306 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cnoc2C)cc1F 575604864 GOBMFTAYPLOSEA-UHFFFAOYSA-N 300.311 1.609 0 40 DDAB O[C@@H]1[C@H](O)COC[C@H]1CNCc1ccccc1OC1CCCC1 585286630 NSJHELNKIJMTCJ-KYJSFNMBSA-N 321.417 1.466 0 40 DDAB Cc1cc([C@H](C)NC(=O)CCS(=O)(=O)N(C)C)c(C)s1 97032155 WPDWCEPFUYFQQO-JTQLQIEISA-N 318.464 1.824 0 40 DDAB C[C@@H]1CN(Cc2nc3cc(F)ccc3n(C)c2=O)C[C@@H](C)O1 97201022 YMFCWQDNQIWKAP-GHMZBOCLSA-N 305.353 1.682 0 40 DDAB O=C(c1c(F)cccc1F)N1CCN(C[C@H](O)C2CC2)CC1 85436629 APHYLEYRVCEHAV-AWEZNQCLSA-N 310.344 1.494 0 40 DDAB COc1ccc2c(c1)CCCN(C(=O)c1ccc(=O)n(C)c1)C2 89755069 BOLGBLDYWRJPJJ-UHFFFAOYSA-N 312.369 1.983 0 40 DDAB CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1N 5555110 JYXPHLVYXGZHJK-UHFFFAOYSA-N 311.798 1.939 0 40 DDAB CCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3F)nc21 12114166 NAIXNQDOJGYKJW-UHFFFAOYSA-N 301.281 1.045 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2nc(-c3cccnc3)oc2=O)C1 12115876 JHOMLIQIGIYTNF-RYUDHWBXSA-N 316.361 1.403 0 40 DDAB O=C(O)CN(CC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 6828736 HDYOESPDTJWOFV-UHFFFAOYSA-N 321.116 1.997 0 40 DDAB NCCCCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 15973598 MYBDPOHDPYQGSI-UONOGXRCSA-N 303.406 1.313 0 40 DDAB O=C(c1ccncc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19404843 OBIWSADTRFPOEK-AWEZNQCLSA-N 323.400 1.537 0 40 DDAB O=C1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 19874356 MVIZUGAGRURBEV-ZDUSSCGKSA-N 324.739 1.776 0 40 DDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)OC(=O)C1=COCCO1 169355699 CFAKMWKKUOCHFS-YVECIDJPSA-N 311.378 1.747 0 40 DDAB Cc1nnc(CN2CCOC[C@@H]2CC(=O)c2cccs2)o1 154417585 ZKGKIIGAWMZSRN-NSHDSACASA-N 307.375 1.913 0 40 DDAB O=C(CCCOc1ccc2c(c1)OCO2)N[C@@H]1CCCOC1 12194454 HKWCFXPAYUNDRH-GFCCVEGCSA-N 307.346 1.870 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 29575809 NCGHZMCCGPAFAX-CQSZACIVSA-N 320.393 1.344 0 40 DDAB CCNC(=O)NC(=O)CN1CCCN(Cc2cccs2)CC1 30210738 WYCDTDXKXOKKLR-UHFFFAOYSA-N 324.450 1.102 0 40 DDAB O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 31288134 MXWMDRMJBJVKSC-QGZVFWFLSA-N 317.433 1.494 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2sccc2Br)C1 41126313 IEPXSRDGJOSGNQ-ZCFIWIBFSA-N 303.181 1.458 0 40 DDAB CCc1nc(C)c(CN2CC3(C[C@@H](NCCOC)CS3)C2)[nH]1 2056223717 BTNDXATVBMTKPX-CYBMUJFWSA-N 324.494 1.576 0 40 DDAB CC(C)CN1CCC2(C1)CN(C(=O)CCc1cncnc1)C2 1072904909 SOQDZXLTOIRSJO-UHFFFAOYSA-N 302.422 1.600 0 40 DDAB Cc1cnc(C)c(OC2CCN(Cc3noc(C)n3)CC2)n1 2087124874 RSCWVEKMBMNFMA-UHFFFAOYSA-N 303.366 1.828 0 40 DDAB CCOC[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2cn(C)nc21 1565550901 JOFYAYQEDVBTAS-GFCCVEGCSA-N 313.348 1.928 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 1565544715 QZFDFSNFANBCFM-UHFFFAOYSA-N 305.382 1.066 0 40 DDAB CCOC(=O)C(Cc1cc(OC)ccc1OC)C(=O)OCC 5650512 HJUFGOPKAMIEDJ-UHFFFAOYSA-N 310.346 1.989 0 40 DDAB O=C(NCCNc1cc(-n2cccc2)ncn1)c1cccnc1 75172262 FKDSQSOPZDDOOT-UHFFFAOYSA-N 308.345 1.504 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N(C[C@@H]1CCOC1)C1CC1 40525007 JQUCCDUEDSHHBZ-LBPRGKRZSA-N 323.414 1.811 0 40 DDAB COc1ncccc1C(=O)NCCOc1ccc2c(c1)OCO2 40541382 BLHDQVIXURYLHE-UHFFFAOYSA-N 316.313 1.628 0 40 DDAB O=C(NCCN1CCCCC1)c1nc2ccccc2c(=O)[nH]1 20735217 QKAOJHXTEQZPFO-UHFFFAOYSA-N 300.362 1.139 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 69419361 XOZSKRNCVCGXAW-YPMHNXCESA-N 320.389 1.687 0 40 DDAB Cc1cccn2c(=O)cc(CN3CCC[C@H]3Cn3cncn3)nc12 69484676 WSPOOWGXJDXYTA-HNNXBMFYSA-N 324.388 1.259 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2Cc2cnn(C)c2)s1 69491988 KKHHGCBMQCPBQH-SMDDNHRTSA-N 319.386 1.964 0 40 DDAB O=C1NC[C@H](Nc2ccc(Br)cc2Cl)C(=O)N1 2043024 WTOWBTCUQCGBTK-QMMMGPOBSA-N 318.558 1.722 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c(C)c1 32689143 NOLAOCPDEGVAOQ-UHFFFAOYSA-N 315.329 1.195 0 40 DDAB Cc1cc(C)cc(C2(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)c1 52427655 URRYQXZFPPYNAM-CQSZACIVSA-N 321.442 1.886 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 4359849 ATNCNDQPUGYLAV-MELADBBJSA-N 317.389 1.611 0 40 DDAB OC[C@@H](O)[C@@H](O)[C@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1 4962349 KYYGCRDBPRURTP-DJIMGWMZSA-N 324.323 1.172 0 40 DDAB CCn1c(=O)c([C@H](C)NNC(N)=S)c(O)c2ccccc21 6359478 ZZQXYEJYZOUQPS-QMMMGPOBSA-N 306.391 1.126 0 40 DDAB CC(=O)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 414001 SQIFILHDEBCDDT-UHFFFAOYSA-N 322.372 1.484 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2CC(C)C)on1 21916588 SHCSHZAWCITALK-VIFPVBQESA-N 310.383 1.745 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCN2CCN(C)CC2)o1 53718177 IOMYUOFYLQPIEH-ZBFHGGJFSA-N 319.449 1.699 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC(C)C)C2=O)cc1 103857179 KMEOUBCBKUSENQ-CYBMUJFWSA-N 304.346 1.493 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1ccc(F)cc1 54905614 VTHMBNXCMLEOQS-STQMWFEESA-N 300.337 1.783 0 40 DDAB COC(=O)[C@H]1C(=O)[C@@H](C(=O)CC[C@@H]2CCCO2)C(=O)CC1(C)C 100768354 XGEULGNSRGWTSS-LEWSCRJBSA-N 324.373 1.488 0 40 DDAB C[C@@H]1CCC[C@H](OCC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1 106852185 NJFQIQJNNHOGST-VNQPRFMTSA-N 318.417 1.795 0 40 DDAB O=C(c1cnc2sccn2c1=O)N1CCO[C@@H]2CCCC[C@H]21 47923696 VZVUQJPDXRWJEV-VXGBXAGGSA-N 319.386 1.540 0 40 DDAB C[C@H](NC(=O)C[S@@](=O)[C@@H]1CCO[C@@H]1C)c1cccs1 108460498 WKJHZUYWMPEGTO-XZUANODZSA-N 301.433 1.851 0 40 DDAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCNC(=O)C1 26848568 IFCRIVALIPYNDB-SECBINFHSA-N 306.753 1.883 0 40 DDAB Cc1cccc(OCCCNC(=O)[C@H](NC(N)=O)C(C)C)c1 28728103 FTTLYPZMSKQSSL-CQSZACIVSA-N 307.394 1.573 0 40 DDAB O=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)N1 58055811 QIKDEHRWGBSHGR-STQMWFEESA-N 305.378 1.201 0 40 DDAB CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(=O)O)C1 62134534 WTZIZFZPXRLIRJ-VIFPVBQESA-N 316.810 1.766 0 40 DDAB O=C(NCC(=O)c1ccc2c(c1)OCO2)NCC(F)(F)F 58175650 NINGXSXNJMGCKX-UHFFFAOYSA-N 304.224 1.460 0 40 DDAB O=C(CNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2 3328413 VIYOLTJOBZSFIV-UHFFFAOYSA-N 302.286 1.055 0 40 DDAB CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(N)=O)CCCC2 3395745 PKZUDOCPYCIBIA-ZETCQYMHSA-N 310.375 1.616 0 40 DDAB NS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 58343792 AIIZPWMRNXUYLQ-LBPRGKRZSA-N 303.815 1.270 0 40 DDAB CCn1c(=O)n(CC(=O)Nc2ncccc2O)c2ccccc21 58411509 DXKPAMXPHBGHMV-UHFFFAOYSA-N 312.329 1.562 0 40 DDAB C[C@@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)[C@H](C)CO1 45447483 MURZUUAWKVCKHR-VXGBXAGGSA-N 304.346 1.620 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1ccsc1)N(C)C 45658446 ZMERDVMTAXKPRT-CQSZACIVSA-N 321.450 1.926 0 40 DDAB O=C(Cn1cnnn1)Nc1ccc(F)cc1Br 36722054 UYLXXKAKSRZHFC-UHFFFAOYSA-N 300.091 1.213 0 40 DDAB in-vitro CCN1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 48342466 HSVRFJCMZCGUBP-UHFFFAOYSA-N 308.389 1.933 0 40 DDAB Cc1nnc(S[C@@H](C)C(=O)NC(N)=O)n1Cc1ccccc1 3411421 FOPHIJNDQZEJJS-VIFPVBQESA-N 319.390 1.310 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2ccc(F)cc2F)n1 3524851 RBAIAZFIDVLXIG-UHFFFAOYSA-N 311.317 1.650 0 40 DDAB Cc1c(C(=O)N2CCSCC2)sc2ncn(C)c(=O)c12 48600430 SVVCVDGXBKWWRY-UHFFFAOYSA-N 309.416 1.492 0 40 DDAB COC(=O)c1ccc(CN(C)S(=O)(=O)N2CCCC2)cc1 69580828 HQFCCFYILSSXGF-UHFFFAOYSA-N 312.391 1.246 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1C=O 3887085 ABIKYVMIVOUVCP-GFCCVEGCSA-N 311.407 1.354 0 40 DDAB COCc1nc(C(=O)N2CCC[C@H](n3ccnc3)C2)cs1 69621745 RJRSHHVPUXMWCV-NSHDSACASA-N 306.391 1.963 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 13260844 BFLLXCFAVVSCNQ-YVZNUBBCSA-N 301.342 1.958 0 40 DDAB COC[C@H](C)S(=O)(=O)NCCc1ccc(N(C)C)cc1 69670266 KJNFZSFPNKJPQL-LBPRGKRZSA-N 300.424 1.249 0 40 DDAB CCN(CC)[C@H](C(=O)OCC(=O)NC1CC1)c1ccccc1 69662684 XJKVUDNNXKCYPB-INIZCTEOSA-N 304.390 1.891 0 40 DDAB CC(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)N1CCOCC1 13965287 FJZPAIOXXYCEBZ-MRXNPFEDSA-N 323.412 1.982 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1 13986445 DJQTVCKTIDVYRJ-UHFFFAOYSA-N 318.402 1.296 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 4475881 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NC(=O)[C@@H]1CCCN(C(=O)CN(CC(F)(F)F)C2CCC2)C1 90006996 VZXJLMRJAUJEJS-SNVBAGLBSA-N 321.343 1.127 0 40 DDAB COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(C)n[nH]1)CCC2 96002911 QKAPVKCXISGLFL-LBPRGKRZSA-N 303.366 1.368 0 40 DDAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCO)c12 71288161 ALINDJMFTORMRN-UHFFFAOYSA-N 310.357 1.666 0 40 DDAB CC(C)NC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9134539 KYIKDYOVOQTLKK-UHFFFAOYSA-N 318.377 1.460 0 40 DDAB CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)cc1 8289803 VHJHQTHKGXIIOV-UHFFFAOYSA-N 304.371 1.556 0 40 DDAB COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC)cc1 69371730 PTNJPRULZNBIJT-IAGOWNOFSA-N 320.433 1.883 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1csc(-c2cnn(C)c2)n1 89938842 WAWPBIRYVVDJDA-JTQLQIEISA-N 305.407 1.320 0 40 DDAB C[C@@H](C(=O)Nc1cc(C(N)=O)ccc1CN(C)C)n1cccn1 72292753 FLLOEWCFMZNUPP-NSHDSACASA-N 315.377 1.243 0 40 DDAB COCCOc1ccccc1C(=O)N[C@H]1CCc2nccn2C1 72278538 LJXHFAYGJQDORQ-ZDUSSCGKSA-N 315.373 1.653 0 40 DDAB Cc1ccc([C@@H](O)CN2CCN(c3cnccn3)CC2)cc1C 71828133 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O=C(NCCCOC[C@H]1CCCO1)c1ccc2[nH]nnc2c1 78473260 IYZZXZXDLYBAIH-GFCCVEGCSA-N 304.350 1.273 0 40 DDAB Cn1c(=O)n(CN2CCc3sccc3C2)c2cnccc21 78876020 ZIIASLBAKLSJCQ-UHFFFAOYSA-N 300.387 1.812 0 40 DDAB CC1CCC2(CC1)OC[C@H](CNC(=O)CCn1cccn1)O2 95992166 VGPQQGPMMADUID-BBBYJDLNSA-N 307.394 1.711 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)n1 95989721 GMBVQSXCCZAGMF-AWEZNQCLSA-N 319.336 1.451 0 40 DDAB Cc1cnc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)nc1C 95978478 NSKXBHNREOALDX-LLVKDONJSA-N 306.391 1.914 0 40 DDAB CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 79112621 XZTUXHLVDJCFCL-GFCCVEGCSA-N 304.362 1.680 0 40 DDAB CNC(=O)Cc1noc(CSc2nc3ccc(C)cc3[nH]2)n1 75105249 TWQVQZYZMNHSRT-UHFFFAOYSA-N 317.374 1.835 0 40 DDAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCN2CCOCC2)c1 22525272 DKLXFVSRQZOSAT-MRXNPFEDSA-N 320.433 1.828 0 40 DDAB O=S(=O)(c1ccc(NC[C@H]2CCCO2)nc1)N1CCCC1 25665258 VZKMIOCOBOGZRG-GFCCVEGCSA-N 311.407 1.457 0 40 DDAB COCCN1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(C(=O)O)cc12 110769462 WFMLEKWNQXTUDR-XHDPSFHLSA-N 306.318 1.596 0 40 DDAB CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CNCC2 65451803 XNBQWIMOILNZHG-UHFFFAOYSA-N 315.373 1.762 0 40 DDAB O=C(CC[C@@H]1CCCO1)N1CCC(O)(Cc2ccncc2)CC1 551932391 YDRBWRYIXHGSNS-INIZCTEOSA-N 318.417 1.937 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCO[C@@H](c2ccccn2)C1 72384949 YLSJFLKDCFTHRK-OAHLLOKOSA-N 322.361 1.983 0 40 DDAB COCc1noc(CCC(=O)c2ccc3c(c2)OCCO3)n1 78774825 LXHKHQUUIBWMEB-UHFFFAOYSA-N 304.302 1.803 0 40 DDAB Cn1ccnc(N2CCN(Cc3ccc(Cl)cn3)CC2)c1=O 558408233 BXAJKMLNMOZRLN-UHFFFAOYSA-N 319.796 1.151 0 40 DDAB NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218036852 ZIAHXLVQMCPXBT-JYJNAYRXSA-N 302.399 1.283 0 40 DDAB Cn1cnnc1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 562428054 WIXXYSBDYARMDX-SECBINFHSA-N 314.315 1.937 0 40 DDAB COc1ccc(-n2nc(C(C)=O)cc(C(=O)O)c2=O)cc1Cl 225966713 YUXLBKDCVADEBH-UHFFFAOYSA-N 322.704 1.795 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 45808587 FFXUNBFDATYHFE-BETUJISGSA-N 318.439 1.048 0 40 DDAB CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1F 225549244 ITIJARGJOMFHJN-UHFFFAOYSA-N 314.382 1.210 0 40 DDAB CCOCCCNC(=O)c1cc2cc(OC)ccc2oc1=O 226038409 SWDHVAYHHHDEIE-UHFFFAOYSA-N 305.330 1.958 0 40 DDAB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1 49022516 JJWOEPNMQYCKLB-UHFFFAOYSA-N 303.274 1.242 0 40 DDAB COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222971970 FHAXOSQITHLWON-ZDUSSCGKSA-N 322.405 1.585 0 40 DDAB CNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2)CC1 225488409 QHNZCYSQMNBODO-UHFFFAOYSA-N 310.401 1.955 0 40 DDAB CN(Cc1cnn(C)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 96424133 XNHSDBUDILDYRT-HNNXBMFYSA-N 300.362 1.877 0 40 DDAB COc1ccccc1/C=C/CN1CC[C@@H](NS(C)(=O)=O)C1 93531156 GYTXWCLXLXDLKW-HZRUHFOJSA-N 310.419 1.332 0 40 DDAB O=C(NC1CC1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96188599 SMFLJRNLBMEHOK-LBPRGKRZSA-N 300.366 1.084 0 40 DDAB Cn1cc(CN2CCC3(CC2)C[C@@H](c2cnn(C)c2)CO3)cn1 96047793 XJVWBHMAFFLPML-OAHLLOKOSA-N 315.421 1.692 0 40 DDAB COCC(=O)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107378 SPQOPWLDIGSMNN-CJNGLKHVSA-N 306.362 1.257 0 40 DDAB CCN1CCN(C)C(=O)C12CCN(Cc1nccs1)CC2 96230243 UTKZFDWUDNJHQZ-UHFFFAOYSA-N 308.451 1.272 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(Cc4ccccn4)C3)C2=O)cn1 96050528 OWFBATKYGJBZOI-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@H](O)c1ccc(Br)cc1 96521912 KEELRTVWHGKTKP-GHMZBOCLSA-N 323.208 1.278 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cnn(C)c3)C2)n1 96041215 IPODHJLXPWESLZ-BFHYXJOUSA-N 303.366 1.259 0 40 DDAB COc1cc(CN2C[C@H]3OC[C@@H](CN(C)C)[C@H]3C2)cc(OC)c1 247980368 JIUCXKKBTVWHJH-ZTFGCOKTSA-N 320.433 1.712 0 40 DDAB Fc1cc(CN2C[C@@H]3CCCN[C@@H]3C2)ccc1-n1cncn1 538735546 HSTPNCSNROQFRB-DZGCQCFKSA-N 301.369 1.590 0 40 DDAB Cn1cc(C(=O)NC[C@@](O)(c2ccsc2)c2ccco2)nn1 253471758 FKNZGGLPFYTHTR-CQSZACIVSA-N 318.358 1.136 0 40 DDAB COCCN1CCC[C@@H](c2nccnc2-c2cnn(C)c2)C1 257281071 ONMCTTUTPLZMBY-CYBMUJFWSA-N 301.394 1.703 0 40 DDAB COC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252515822 NVTZOBTVXRSMQW-JHJVBQTASA-N 303.811 1.442 0 40 DDAB COc1ccc2c3c1O[C@]1(C)[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 253505000 OMGSJARTUSJECS-SIKVJHAASA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro Cc1ocnc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257324705 WPTVSZIJJBCLRD-NSHDSACASA-N 302.334 1.597 0 40 DDAB Cc1ccnn1CCC(=O)N1CCO[C@H](c2ccncc2)C1 257343119 ZRNSEMIHTCLMLH-HNNXBMFYSA-N 300.362 1.577 0 40 DDAB C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)C[C@H]1COCCN1 262382950 NEQATIOSBVCZSB-JQWIXIFHSA-N 310.344 1.789 0 40 DDAB Oc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)nn1 377715569 DKCCVIKDYVHTPE-UHFFFAOYSA-N 308.345 1.452 0 40 DDAB O=C(c1ccccn1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104322 SEXSFWRZMISVSF-UHFFFAOYSA-N 308.403 1.654 0 40 DDAB CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 298101734 LNBXJAFMAUBBOD-HNNXBMFYSA-N 320.389 1.385 0 40 DDAB Cc1ccc(C)c(N2N=C(C(=O)N3CCOCC3)CCC2=O)c1 42629215 PBAIHXWLZJGHHR-UHFFFAOYSA-N 315.373 1.645 0 40 DDAB CCCN(CCO)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 52691108 ORIWCGKFWNQBDT-MRXNPFEDSA-N 319.449 1.333 0 40 DDAB CC(C)Cc1nc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cs1 49478840 VCVINTYWSKCRMS-ZDUSSCGKSA-N 316.448 1.649 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1cnc2ccccc2c1 65400969 YJWBJOOBTJJMSA-NSHDSACASA-N 319.386 1.791 0 40 DDAB CC(C)Cc1noc(CN2CCC[C@@H]2CN2CCC[C@@H]2CO)n1 75094062 PTRZTWISJOESLZ-HUUCEWRRSA-N 322.453 1.689 0 40 DDAB O=S(=O)(c1cccc2ccccc12)N1CC(n2nccn2)C1 888106974 HGUFCVYCOKEOHE-UHFFFAOYSA-N 314.370 1.677 0 40 DDAB Cc1cncc(N2CC(Cn3cc(Br)cn3)C2)n1 1889081489 GDZOGJHXNDQKKG-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)c1 5066955 KZBHVOAPLYGIMA-AAEUAGOBSA-N 303.318 1.115 0 40 DDAB CC1CCN(C(=O)CN2CCC(O)(c3cccnc3)CC2)CC1 12222024 PMPJRQOSWVRZTF-UHFFFAOYSA-N 317.433 1.624 0 40 DDAB CCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(Cl)cc3)nc21 12276787 QLJPLPSBDFHKOI-UHFFFAOYSA-N 317.736 1.559 0 40 DDAB O=C(COc1ccc(CN2CC[C@H](CO)C2)cc1)N1CCCC1 13995816 OSUQPRVBAKUAML-INIZCTEOSA-N 318.417 1.502 0 40 DDAB COCCn1c(SCC(=O)NC2CC2)nnc1-c1ccco1 15935853 VONSARLLHMFNNX-UHFFFAOYSA-N 322.390 1.555 0 40 DDAB CCOC(=O)C1=C(CN(C)[C@H](C)c2ccccc2)NC(=O)NC1 19542420 VZSBWQRQBYWSDX-GFCCVEGCSA-N 317.389 1.809 0 40 DDAB Cc1cccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)c1 19946579 CQOBQVLURONYFN-UHFFFAOYSA-N 304.371 1.676 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H]2[C@H]1C(=O)O)OCCO3 309850822 JKWOLNXRPQAVAW-AXFHLTTASA-N 313.350 1.460 0 40 DDAB Cc1cccnc1CN1CCC[C@@H]2[C@H]1CCCCN2CC(N)=O 643912744 HOGIUSUDEWVMTB-IAGOWNOFSA-N 316.449 1.694 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2cccs2)N1 12346810 ZCJPXBXNOSOBMI-NOZJJQNGSA-N 319.386 1.377 0 40 DDAB CN1CCCC[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 2037984867 QAXOXDFEJGXNPD-QGZVFWFLSA-N 320.364 1.679 0 40 DDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)[C@H]1CCOC1)CC2 1565550556 BTDYJYWZVDRNBM-ZDUSSCGKSA-N 318.373 1.140 0 40 DDAB O=C(O)CSc1ncnc2c1nnn2Cc1ccccc1F 4166543 OUSAIAZYZVFZPN-UHFFFAOYSA-N 319.321 1.585 0 40 DDAB COC[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncn(CC3CC3)c21 2055751217 VYBZEJNPVZJVCR-LBPRGKRZSA-N 315.377 1.402 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](NCC1CCOCC1)CC2 2055738958 DOVKEACJVBZFHF-ZDUSSCGKSA-N 321.421 1.686 0 40 DDAB CC(C)(C)OC(=O)N1CC(C(=O)n2c(=O)nc3ccccn32)C1 1775974525 UNWCSNXTZOPYAL-UHFFFAOYSA-N 318.333 1.003 0 40 DDAB O=C([C@@H]1COCCO1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50379401 RXDFDWLLVVMIRC-CVEARBPZSA-N 323.364 1.749 0 40 DDAB c1ccc(N2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1 154579 QWYBMIQGHJNHDW-UHFFFAOYSA-N 320.400 1.940 0 40 DDAB NNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1 292079 HITMLGYDUGHGTJ-UHFFFAOYSA-N 321.772 1.391 0 40 DDAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cnc(N(C)C)s1 89937646 MCPYEIVLWDKMEW-FZMZJTMJSA-N 322.478 1.946 0 40 DDAB CC[C@H]1Sc2ccccc2N(CC(=O)NCCOC)C1=O 2964994 NNLGNNDTCMYYIZ-GFCCVEGCSA-N 308.403 1.667 0 40 DDAB CN1N=C(C(=O)NCc2cn3cc(Cl)ccc3n2)CCC1=O 32902302 PVSWMQUSYYVWHR-UHFFFAOYSA-N 319.752 1.212 0 40 DDAB C[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)CN1CCCC1 53109752 SGYHHTAELGHYSV-JTQLQIEISA-N 318.343 1.901 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2cccs2)C1 23016986 HMDGMMOBBJILMM-QWHCGFSZSA-N 322.430 1.896 0 40 DDAB O=C(CCn1cncn1)NCc1coc(-c2cccs2)n1 23776762 HNNYASLMCSHLDU-UHFFFAOYSA-N 303.347 1.701 0 40 DDAB CCOC(=O)c1c[nH]c2ccc3c(c2c1=O)S(=O)(=O)CC3 100947625 MDQXCSUBPLZOEC-UHFFFAOYSA-N 307.327 1.035 0 40 DDAB NC(=O)CC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 42841829 NOSIZOBAPUOEEQ-UHFFFAOYSA-N 319.361 1.212 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccc(OC(C)C)nc2)CC1 43005770 UBEIWUKCUNOGAP-UHFFFAOYSA-N 305.378 1.610 0 40 DDAB CN(C)[C@@H](CNC(=O)NCCc1cnn(C)c1)c1cccs1 43143840 RNBGIIJGGXMITC-ZDUSSCGKSA-N 321.450 1.626 0 40 DDAB c1ccc(Cn2nnnc2CN2CCO[C@@H]3CCCC[C@H]32)cc1 106108260 ZDQVCDBWJITTHO-HZPDHXFCSA-N 313.405 1.865 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)n1C 25237714 MPFGRKNXFZPFPN-UHFFFAOYSA-N 301.346 1.525 0 40 DDAB CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCCCC1 57478180 BKJQFXFVYGUNGD-UHFFFAOYSA-N 315.395 1.254 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cccn1 44667279 FOWQYWKJCPLELP-CYBMUJFWSA-N 302.353 1.932 0 40 DDAB CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 27576909 BHZCXFKYAYSKHP-NSHDSACASA-N 313.375 1.257 0 40 DDAB CC(C)c1cc(NC(=O)Cn2cnc3ccccc3c2=O)[nH]n1 58159272 CQPPWDALCIBGAN-UHFFFAOYSA-N 311.345 1.882 0 40 DDAB Cc1cc(C)cc(OCC(=O)NCCCN2CCN(C)CC2)c1 22829969 YONNWHYTFRQYKC-UHFFFAOYSA-N 319.449 1.436 0 40 DDAB COCCNC(=O)NC(=O)CN1CCC[C@H]1c1ccccc1 10340015 PJRMWZWDGCIPHI-AWEZNQCLSA-N 305.378 1.296 0 40 DDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccccc2F)CC1 58393979 OSWZZDHGKXMWHT-OAHLLOKOSA-N 319.380 1.380 0 40 DDAB NC(=O)CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCCO1 48276988 GJFKOTSBSLOLII-INIZCTEOSA-N 314.389 1.339 0 40 DDAB COc1cc(CNC(=O)CCc2c(C)nn(C)c2C)ccn1 29197108 RIBVSQWOSFGWFK-UHFFFAOYSA-N 302.378 1.690 0 40 DDAB COc1ccc(CNC(=O)CSc2ncccn2)cc1OC 3474791 HUSKQJCSAUYGLM-UHFFFAOYSA-N 319.386 1.902 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCC(CN2CCOCC2)CC1 48479993 WITVGVPGKRDIME-UHFFFAOYSA-N 318.421 1.472 0 40 DDAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccncc1 12977574 HZSYQDVCDGUWRG-UHFFFAOYSA-N 311.385 1.844 0 40 DDAB C[C@H](C(=O)N1CCCCCC1)N1CCN(C(=O)C2CCC2)CC1 69418782 ASDBMGMKGBHJHY-OAHLLOKOSA-N 321.465 1.722 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4045173 ARGYSBFCUPNCDR-YNZJMPHRSA-N 316.357 1.761 0 40 DDAB biogenic Cc1cc(CNC(=O)N2CCN(Cc3cscn3)CC2)on1 64230122 MVBNRYJXGRVRNA-UHFFFAOYSA-N 321.406 1.467 0 40 DDAB COC(=O)c1ccc(NC(=O)NCC(=O)NCC(C)C)c(C)c1 64705203 RZPQQJRYMUUVEZ-UHFFFAOYSA-N 321.377 1.675 0 40 DDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccccc1F 5040455 LZRLNMSAQBRZTL-MRVPVSSYSA-N 304.281 1.382 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 4218693 FRWGHYGZFIIQJU-UHFFFAOYSA-N 309.387 1.661 0 40 DDAB CC(=O)Nc1nc2ccc(C(=O)N3CCN(C)CC3)cc2s1 13727782 SWNNGSLKKFLCCZ-UHFFFAOYSA-N 318.402 1.642 0 40 DDAB CCc1nc(CN2CCC[C@H](NCc3cc(C)on3)C2)no1 69629521 DCKWADRVODZKDR-LBPRGKRZSA-N 305.382 1.683 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 65449855 RWFYMGAIVVVHAC-MNOVXSKESA-N 300.380 1.039 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)c1cnc2sccn2c1=O 6495570 WQTHJGHXXUVLCZ-UHFFFAOYSA-N 315.310 1.737 0 40 DDAB COc1ccc2cc([C@@H](C)C(=O)N3CCNC(=O)C3)ccc2c1 14183695 HQHWOFXBSPASJC-GFCCVEGCSA-N 312.369 1.910 0 40 DDAB CCC[C@@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 6560225 QFXBIVSBEHZVIE-SNVBAGLBSA-N 321.406 1.765 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)COCC1CC1 66291872 ZNXRYXMISSYYDZ-UHFFFAOYSA-N 305.374 1.923 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 66237651 UALQGSUYKUKMDI-SUMWQHHRSA-N 318.373 1.455 0 40 DDAB Cn1cccc1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 5702382 CZJKDWFRWYGPJC-UHFFFAOYSA-N 324.344 1.893 0 40 DDAB COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6879760 YLBYNLWXIPZBIT-SNVBAGLBSA-N 308.359 1.021 0 40 DDAB COc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)s1 8914309 QKFXDOFTUYNPAK-UHFFFAOYSA-N 313.360 1.203 0 40 DDAB Cc1nn(CCO)c(C)c1CN[C@@H]1c2ccccc2C[C@@H]1O 67718543 RTPMJNDONMULSA-DLBZAZTESA-N 301.390 1.240 0 40 DDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1=O 15842647 JGZVEZUAUVVARY-NSHDSACASA-N 322.386 1.235 0 40 DDAB Cc1nc(C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)no1 67939704 SKJCZFDKDXBDOB-UHFFFAOYSA-N 324.381 1.609 0 40 DDAB COC(=O)[C@@H](C)NC(=O)CCCNC(=O)c1ccc(C)cc1 61997062 AVGZOILSRSFHEF-GFCCVEGCSA-N 306.362 1.183 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H]2c2cnn(C)c2)n1 71796828 XDZGFAQQCPWGDO-HNNXBMFYSA-N 301.394 1.987 0 40 DDAB O=C1OCC[C@H]1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 71792446 VZANRTVXVOSYHR-OAHLLOKOSA-N 313.357 1.241 0 40 DDAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC[C@@H]1CCN(C2CC2)C1 96499713 WEUTWINYIHZPFI-OFQRWUPVSA-N 309.454 1.663 0 40 DDAB CN(C)C(=O)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 306131337 KCDVBYYCJJAVFM-CYBMUJFWSA-N 320.393 1.408 0 40 DDAB CCN(Cc1ccc(F)c(F)c1)C(=O)CSCC(N)=O 71821581 FQRWICMXBQBJQC-UHFFFAOYSA-N 302.346 1.532 0 40 DDAB COc1cccc(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)c1 83877328 VVHWDFROBJGKAC-LSDHHAIUSA-N 316.401 1.707 0 40 DDAB Cc1cc(CN2C[C@H]3OC[C@@H](CN4CCCCC4)[C@H]3C2)n(C)n1 306141362 VTCIBNUKHOFSCA-KBAYOESNSA-N 318.465 1.661 0 40 DDAB COCCOC(=O)CCNC(=O)N1CCc2ccccc2C1 71913738 XQYIZPMSDIPHRZ-UHFFFAOYSA-N 306.362 1.334 0 40 DDAB COCCOCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 72085122 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O=C(CN(Cc1cccc(O)c1)CC1CC1)NC1CCOCC1 89780631 AOPOKVYJFRBSQM-UHFFFAOYSA-N 318.417 1.899 0 40 DDAB CN(C)c1ccnc(N2CCN(C(=O)c3ccccc3)CC2)n1 301692934 OMZAATNRNVKBOP-UHFFFAOYSA-N 311.389 1.505 0 40 DDAB C[C@H]1Cc2n[nH]cc2CN(Cc2cc(=O)n3ccccc3n2)C1 1560143589 FZXKJCYVAOLNGU-LBPRGKRZSA-N 309.373 1.612 0 40 DDAB Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCN(C)CC2)n1 36618634 NREYUCQYXFHETH-UHFFFAOYSA-N 322.363 1.875 0 40 DDAB Cn1cc([C@H]2CN(c3cc(NC4CC4)ncn3)CCO2)cn1 515137618 BGUQEQMBXBWPRL-CYBMUJFWSA-N 300.366 1.362 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@H](c3cc[nH]n3)C2)cc1 72385188 JBCCAKHAIOCIEQ-NSHDSACASA-N 307.375 1.597 0 40 DDAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2ncoc2C)c1 539572691 AQXXEIJDUCONNH-GFCCVEGCSA-N 304.302 1.937 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)COc1ccc2nsnc2c1 36740689 VXUOWHVEBPZFRI-UHFFFAOYSA-N 317.374 1.726 0 40 DDAB C[C@H](C(=O)NCCCC(N)=O)c1ccc(Br)s1 79553483 AUFWSGBUDBROKB-ZETCQYMHSA-N 319.224 1.996 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cc(Cl)ncn2)CC1 72343971 XFGKOENWELMTFM-JTQLQIEISA-N 303.815 1.734 0 40 DDAB NCC(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1 79392826 MDMAPRJPVPMVCD-UHFFFAOYSA-N 305.378 1.110 0 40 DDAB Cc1cc(C(=O)N(C)Cc2c(C)nn(C)c2C)nc(N(C)C)n1 72241160 USJKSSCICUNBLH-UHFFFAOYSA-N 316.409 1.474 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(F)c1F 77844916 GDCMEJSPFRXDOU-BJOHPYRUSA-N 314.332 1.817 0 40 DDAB CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCNCC2)C1 74941270 MTJWTEGHDTUIGK-UHFFFAOYSA-N 307.398 1.496 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1nc(C(F)(F)F)cs1 188599918 RDFZIXLVVSHPHD-NKWVEPMBSA-N 310.297 1.270 0 40 DDAB COC(=O)c1cc(NC(=O)c2cnco2)cc(C(=O)OC)c1 224062508 TYFCWHHLEQHAER-UHFFFAOYSA-N 304.258 1.500 0 40 DDAB CN1CCN(c2ncc(NC(=O)c3cccs3)cn2)CC1 224253397 DOXSOKGLTUGWKJ-UHFFFAOYSA-N 303.391 1.542 0 40 DDAB Cn1cncc1[C@@H]1NC(=O)CC[C@H]1Nc1nc2ccccc2o1 571894174 IEEAXOPBBUATNO-IAQYHMDHSA-N 311.345 1.993 0 40 DDAB CC(=O)NC[C@H]1CN(CCSCc2ccccc2)CCO1 192595550 AIKYLGKBNIDRGC-INIZCTEOSA-N 308.447 1.757 0 40 DDAB CN1CCN(C(=O)CCN(C)Cc2cc(C(C)(C)C)[nH]n2)CC1 225773034 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O=C(NC[C@H]1OC[C@@H]2CN(c3ccccn3)CC[C@@H]21)C1CC1 96064309 MXPKQBMKAABUCO-SOUVJXGZSA-N 301.390 1.449 0 40 DDAB CN(C)C(=O)N1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 96207639 DCAQXWBBPMKNIQ-CJNGLKHVSA-N 319.409 1.441 0 40 DDAB O=C(NC1(Cc2ccccc2)CCOCC1)N1CCOCC1 333085820 NALKRCNZHMZXMM-UHFFFAOYSA-N 304.390 1.820 0 40 DDAB Fc1cnc(N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)nc1 96109042 BJMDTUUISUJAIS-WBMJQRKESA-N 316.336 1.543 0 40 DDAB CCc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)n[nH]1 333607361 RIPABDLYOVNGNC-UHFFFAOYSA-N 314.393 1.249 0 40 DDAB COC[C@@H]1CN(C(=O)c2ccc(C)cn2)Cc2cncn2C1 96207115 BCPPMZVYXDZFJT-CYBMUJFWSA-N 300.362 1.505 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccccn3)C2)C1 96051948 HSJPIXOFMDWNDM-NVXWUHKLSA-N 305.422 1.251 0 40 DDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)CC1CC1)CC2 96217744 JHBDCKZYHUVAAY-GOSISDBHSA-N 321.465 1.722 0 40 DDAB C[C@H](c1ccsc1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 97378458 WFQFGKHTBJICGU-DGCLKSJQSA-N 307.419 1.089 0 40 DDAB O=C(c1cnoc1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107502 PCEQVWCEBHCQSI-HOCLYGCPSA-N 306.362 1.865 0 40 DDAB CCO[C@@H]1CN(C(=O)COc2ccccc2)[C@@H]2CCCO[C@H]12 96042343 AHWBQLNDYFDNMX-INMHGKMJSA-N 305.374 1.860 0 40 DDAB CCCN(CC(F)F)S(=O)(=O)N1C[C@H](C)OC[C@H]1C 245343893 WHQQKZNDKHWFHS-ZJUUUORDSA-N 300.371 1.318 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(CO)C(=O)O 242728102 YTBYPGRVPSEQLK-LOWVWBTDSA-N 318.778 1.304 0 40 DDAB Cc1cccc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257216637 CVMAHUNFPNSCLN-GFCCVEGCSA-N 320.418 1.506 0 40 DDAB Cc1ncc(-c2nccnc2C[C@@H]2CCCN(CCO)C2)n1C 257338375 YXCCOPCCVJKIOF-AWEZNQCLSA-N 315.421 1.432 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]2N1 257242434 ICLWPWZHXCOTKQ-HOTGVXAUSA-N 314.385 1.295 0 40 DDAB C[C@@]1(O)CCN(C(=O)Cn2ccnc2)C[C@H]1Oc1ccccc1 257281949 ORQNZTBSMKXOKP-NVXWUHKLSA-N 315.373 1.314 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@H]1c1ccncn1 257313355 USBMVNZVRIFVKE-AWEZNQCLSA-N 302.378 1.543 0 40 DDAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cnn(C)c2)nc1 257222152 DSDVNTFGJRLGGQ-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB Cc1nc(CN2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)cs1 257248648 JEPSREHLLUUPFJ-KBPBESRZSA-N 311.451 1.549 0 40 DDAB CCN1C(=O)N(C)C[C@@]12CN(Cc1cccs1)CC[C@@H]2O 257217999 DBLRVBJPAYRYOZ-ZFWWWQNUSA-N 309.435 1.441 0 40 DDAB C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCc2nn(C)cc2Cl)C1 263147880 FDIJPMMBSNZYNR-DTWKUNHWSA-N 314.773 1.326 0 40 DDAB CN1CCC2(CCCN(C(=O)c3cccn(C)c3=O)C2)CC1 374116515 YCRUNJVJJAUIIP-UHFFFAOYSA-N 303.406 1.333 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C 42718694 FCJJRUNOBKTSKV-XHDPSFHLSA-N 306.362 1.152 0 40 DDAB Cc1cc2c(cc1NC(=O)[C@@H]1CCCCN(C)C1=O)OCO2 585141832 ZEPBIHRBZYRQLO-NSHDSACASA-N 304.346 1.921 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@@H]2C 585098531 ZEKIRYLCAFPYOS-GFCCVEGCSA-N 315.377 1.735 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2cccc(COC)c2)C[C@@H]1OC 585277565 IRJLGBXEVQNKNR-GJZGRUSLSA-N 320.389 1.056 0 40 DDAB O=C(CS(=O)(=O)c1ccccn1)NCCc1ccc(F)cc1 44946789 AZUMDVRWLOLDEM-UHFFFAOYSA-N 322.361 1.353 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)NC(C)(C)C 58411466 WSTKLZRHSNKFML-VXGBXAGGSA-N 323.437 1.197 0 40 DDAB COc1ccc(OC)c([C@@H](O)CN2CC(n3cccn3)C2)c1 71877095 MOKOAOJNIDRFFG-HNNXBMFYSA-N 303.362 1.491 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccccc1 67620142 NYGCTYBPCLVHRO-OAHLLOKOSA-N 304.390 1.925 0 40 DDAB Cn1cc([C@H]2CCCN2CC(=O)NC(C2CC2)C2CC2)cn1 69703964 BDSOQPSQMPEHBC-OAHLLOKOSA-N 302.422 1.862 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 585612668 MPFDUQGMJDDHJN-STQMWFEESA-N 324.388 1.286 0 40 DDAB COc1ccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 5586507 KLUZYEGTLUGPHC-WDEREUQCSA-N 315.441 1.699 0 40 DDAB CON(C)C(=O)Cn1nc(C)n2c(cc3ccsc32)c1=O 12114248 FYIHHQNIQXBQRF-UHFFFAOYSA-N 306.347 1.039 0 40 DDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12 12182038 IAHOYIGNHYMFGB-UHFFFAOYSA-N 324.384 1.970 0 40 DDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)Nc1nccs1)CS2 14032304 JMVNHNPNLTWNOV-QMMMGPOBSA-N 308.388 1.684 0 40 DDAB C[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 16641901 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CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc(C)s2)C1 2055772256 ONLWHROZIGWFMP-MRXNPFEDSA-N 318.446 1.990 0 40 DDAB COC(=O)c1ccc(C(=O)NCCn2ccn3nccc23)cc1 206743423 DJIDZXDGHJGRCS-UHFFFAOYSA-N 312.329 1.352 0 40 DDAB Cc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1C 43979576 YTTNKYAPQGVTTQ-UHFFFAOYSA-N 324.446 1.705 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2COCCO2)c(OC)c1 30684343 MULJWUJTMVYWKE-GDBMZVCRSA-N 321.373 1.783 0 40 DDAB O[C@H](CN1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 40490049 YHVNYEVUOBQOJB-OAHLLOKOSA-N 318.808 1.986 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cccnc2=O)cc1 31782527 GMNJFWCYBXCDBK-HNNXBMFYSA-N 313.357 1.616 0 40 DDAB O[C@H](CN1CCC([C@@H](O)c2ccccc2)CC1)Cn1cccn1 51531928 CGCPYOPJRUHITB-MSOLQXFVSA-N 315.417 1.690 0 40 DDAB CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O 63694 JXCOEOHQJOOVDW-UHFFFAOYSA-N 308.337 1.941 0 40 DDAB CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 290103 CBAHFESLQQXEEI-VIFPVBQESA-N 311.179 1.938 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1cccnc1-n1cccn1 46080788 FOTZQUODIQDEEG-LBPRGKRZSA-N 301.350 1.198 0 40 DDAB CCc1nc(CN2CCCN(C(=O)c3cnc[nH]3)CC2)cs1 69739255 QEGWQXJQLPLXKZ-UHFFFAOYSA-N 319.434 1.777 0 40 DDAB COc1ccc(CNc2c(NCc3ccncc3)c(=O)c2=O)cc1 101698271 AOMAVZVOTGDDKX-UHFFFAOYSA-N 323.352 1.910 0 40 DDAB O=C(O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1 377269 JJGCVMSIBAQARG-UHFFFAOYSA-N 301.327 1.907 0 40 DDAB COc1cc(C(=O)NCCc2ccccn2)cc2c1OCCO2 21183891 VUDZWQUBKMGCJO-UHFFFAOYSA-N 314.341 1.834 0 40 DDAB CCOc1ccc(NC(=O)CSc2nnc(C)n2N)cc1 3486538 LYBBLIFZFNXYTK-UHFFFAOYSA-N 307.379 1.430 0 40 DDAB CCCCOc1ccc(NC(=O)C(=O)N[C@@H](CC)CO)cc1 6651484 JIMYIIOTWMZUAX-LBPRGKRZSA-N 308.378 1.691 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7307849 NCJZWPRTHRUXAY-SECBINFHSA-N 300.380 1.730 0 40 DDAB O=c1c(NCc2ccccn2)c(NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O 101694024 IDSNWUZMVJJZDI-FRRDWIJNSA-N 309.369 1.914 0 40 DDAB Cn1c(=S)c2nc(SC[C@@H]3CCCO3)[nH]c2n(C)c1=O 101110988 SXLIZCRHKYNSMR-ZETCQYMHSA-N 312.420 1.601 0 40 DDAB CC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1F)C2=O 9661074 BZNKRCRSCHOVBS-UHFFFAOYSA-N 319.336 1.259 0 40 DDAB Cc1nc2ccccc2n1CC(=O)NCCCN1CCOCC1 12362951 BMMOIMRCHVMGGY-UHFFFAOYSA-N 316.405 1.183 0 40 DDAB O=C(NCCCn1cncn1)[C@H]1COc2ccc(Cl)cc2C1 41862797 YYFUBFTXAHJRJA-GFCCVEGCSA-N 320.780 1.689 0 40 DDAB COc1c(CNCc2ccnc(-n3ccnc3)c2)c(C)nn1C 69454105 BNCAJLOOUBQDRD-UHFFFAOYSA-N 312.377 1.608 0 40 DDAB COc1ccc2oc(=O)c(C(=O)NC[C@H]3CCCO3)cc2c1 802746 SRQJHIMRIGFLRJ-GFCCVEGCSA-N 303.314 1.710 0 40 DDAB O=C(Cn1cncn1)Nc1ccc(Sc2nncs2)cc1 69418179 QOVRMCXHIGYQDL-UHFFFAOYSA-N 318.387 1.920 0 40 DDAB C[C@H](NC(=O)[C@H]1CNC(=O)N1)c1ccc(Cl)c(Cl)c1 89904662 AKGDRHNUOKCDDP-QUBYGPBYSA-N 302.161 1.852 0 40 DDAB NC(=O)NC(=O)CCSc1nncn1-c1ccccc1F 12534135 CQBSOTXLFIWXMO-UHFFFAOYSA-N 309.326 1.084 0 40 DDAB COc1cc(C)c(CN(C)Cc2nnnn2C2CC2)cc1OC 24807275 JYVORJZYXZHELU-UHFFFAOYSA-N 317.393 1.966 0 40 DDAB C[C@H]1CN(C(=O)Nc2cccc(N3CCNC3=O)c2)C[C@@H](C)O1 47893973 BLEARCDXRJZNJY-TXEJJXNPSA-N 318.377 1.857 0 40 DDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2nccs2)C1 106509166 KUNQOEICBOBLGJ-GHMZBOCLSA-N 311.407 1.745 0 40 DDAB CCCc1ncc(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)s1 76045257 CRUJQEMLPFXJGS-SNVBAGLBSA-N 321.406 1.736 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)c(C)o1 55807481 KRDVZTOCSQPTJS-UHFFFAOYSA-N 302.334 1.218 0 40 DDAB Cn1cc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cn1 25305181 FXWIWAJWOUUAEM-UHFFFAOYSA-N 306.753 1.832 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1cc2ccc(OC)cc2nc1C 25681407 NSLSDXDOJQTHBF-LLVKDONJSA-N 315.373 1.806 0 40 DDAB CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1CCc2ccccc21 56405543 ACXRYKADLOOAGA-LBPRGKRZSA-N 320.370 1.687 0 40 DDAB CCc1cnc(CN(C)[C@@H]2CCN(CCn3cncn3)C2)o1 78892003 ICWZJQCDOWQWGA-CYBMUJFWSA-N 304.398 1.035 0 40 DDAB C[C@H]1CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C[C@@H](C)O1 26462105 JDJACFGJUGCMHZ-AEJSXWLSSA-N 311.407 1.283 0 40 DDAB O=C(Nc1nncs1)[C@H]1CCCN1C(=O)OCC(F)(F)F 68663368 USEVSJFVLFXOEV-ZCFIWIBFSA-N 324.284 1.640 0 40 DDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1CCCC1 27065097 OQHPHPDMGYINRQ-OBJOEFQTSA-N 311.451 1.771 0 40 DDAB biogenic O=C(NC[C@H]1CCCO1)[C@H]1CCCN1C(=O)OCC(F)(F)F 57975693 IZERFGRZPQMBGD-NXEZZACHSA-N 324.299 1.445 0 40 DDAB CCNC(=O)c1cccc(NC(=O)Cn2cc(Cl)cn2)c1 58014475 PTIMVFAXHXBHAD-UHFFFAOYSA-N 306.753 1.925 0 40 DDAB CC(C)CNC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449788 JMRDAFFUJRBKBH-BQYQJAHWSA-N 314.407 1.456 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3)cc2)n1 58172118 UBPRLDDFQLDVOK-AWEZNQCLSA-N 312.373 1.498 0 40 DDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCCC1)n2CC 44871536 JROUOKKEKREPKY-UHFFFAOYSA-N 319.409 1.302 0 40 DDAB CCN(CC)C(=O)CN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 44889343 IKMWJGVBCKCBMH-ZDUSSCGKSA-N 322.405 1.421 0 40 DDAB CCOCCCNC(=O)/C=C/c1cnn(-c2ccccc2)n1 58245465 OHFDXFRSIXVPDJ-MDZDMXLPSA-N 300.362 1.823 0 40 DDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(C)C)C1=O 8480781 KCSPNYZRKYEEBT-INIZCTEOSA-N 321.352 1.507 0 40 DDAB Cc1csc(=O)n1CCC(=O)O[C@H](C(N)=O)c1ccccc1 10500062 SCMZKCPSYRVFNY-ZDUSSCGKSA-N 320.370 1.378 0 40 DDAB O=C(O)/C=C\C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 28187630 DAFSCTZJTKKQFA-FMFIFOJESA-N 318.329 1.175 0 40 DDAB COc1ccc(NC(=O)CSc2nncn2C(C)C)cn1 28274553 XTABTYWWDNVNIW-UHFFFAOYSA-N 307.379 1.993 0 40 DDAB O=C(NC1CC1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36354387 SJBDLWGQLPIMDC-UHFFFAOYSA-N 309.325 1.930 0 40 DDAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCC1 29085992 XUIVRLRUFVGNAM-UHFFFAOYSA-N 316.810 1.535 0 40 DDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1F 22617387 GPALGFZAHAESHW-HNNXBMFYSA-N 315.348 1.722 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2CCN(C(N)=O)CC2)n1 48406883 IXUCBINZDGMFFK-NSHDSACASA-N 321.425 1.043 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3cnc(C)s3)CC2)nn1 69561466 MENWTJGTRBHCHR-UHFFFAOYSA-N 317.418 1.902 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3ccc[nH]3)CC2)n1 69512562 YJCFEVTVJXNBRD-UHFFFAOYSA-N 301.350 1.166 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1Cl 13125279 XIAIOVGLUMSCDW-LLVKDONJSA-N 305.725 1.788 0 40 DDAB COC(=O)c1sc2nc(C3CC3)[nH]c(=O)c2c1CC(=O)O 3888496 OKYLUOLBHSOKAJ-UHFFFAOYSA-N 308.315 1.276 0 40 DDAB Cn1cc(CN2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)cn1 69628672 AWIWJBGPFKCMEW-OAHLLOKOSA-N 302.422 1.811 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2C 69896290 RNQSKMPVYMUNNP-JTQLQIEISA-N 318.377 1.242 0 40 DDAB C[C@H](NCc1cccc(OCC(N)=O)c1)[C@H](C)n1cccn1 69969850 PPOAZKUPBPNXTK-STQMWFEESA-N 302.378 1.487 0 40 DDAB OCCN1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 65565736 NWBYKKREYXJFRR-CQSZACIVSA-N 318.339 1.349 0 40 DDAB CCC(C)(C)NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 14125992 ZOSAPNYNIVVBQS-UHFFFAOYSA-N 316.405 1.660 0 40 DDAB Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)no1 8780358 WCONRPUIQSPQDM-UHFFFAOYSA-N 319.336 1.850 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@H](C(F)(F)F)C1 5861740 YJURVWNSSZEBTD-AVGNSLFASA-N 311.344 1.817 0 40 DDAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@@H]1CCCO1 7080464 BOPHNTNWWKSGGQ-GUYCJALGSA-N 300.358 1.949 0 40 DDAB COc1ccc(OCC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 7118065 YINLYZAPOAGAOH-UHFFFAOYSA-N 316.357 1.696 0 40 DDAB CC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1O 71286023 IGHKQLXPWOYANH-UHFFFAOYSA-N 301.258 1.335 0 40 DDAB Cn1c2ncccc2c(=O)n1CC(=O)Nc1ccc(F)c(F)c1 68448547 CATGLXGXLPVJNW-UHFFFAOYSA-N 318.283 1.652 0 40 DDAB CN(C)CCn1cc(NC(=O)NC(C)(C)c2nccs2)cn1 96447210 XNNDXFILQSONAH-UHFFFAOYSA-N 322.438 1.958 0 40 DDAB C[C@H](NC(=O)CN1CCCC[C@@H]1Cn1cncn1)c1ccco1 71876215 CUQIJPHXIKORBX-UONOGXRCSA-N 317.393 1.603 0 40 DDAB Cc1cc(C)n(CCOC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)n1 71803587 QBUMOZGULSMDOT-CQSZACIVSA-N 305.378 1.302 0 40 DDAB C[C@@H](Cn1cccn1)NCc1ccccc1CN1CCOCC1 97095496 VSLLBZRVGUPLKS-INIZCTEOSA-N 314.433 1.894 0 40 DDAB Cc1c[nH]nc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 71909357 CFGPMOXPBPBLGV-UHFFFAOYSA-N 320.374 1.411 0 40 DDAB CCC[C@H]1CN(Cc2cnn(C)c2)CCN1Cc1cnn(C)c1 97014736 XEZRXXHRNGWWPV-KRWDZBQOSA-N 316.453 1.640 0 40 DDAB Cc1cc(F)c2[nH]c(=O)cc(C(=O)/N=c3/[nH]cc(C)[nH]3)c2c1 97049091 AMZNDTQEALXIDV-UHFFFAOYSA-N 300.293 1.681 0 40 DDAB CCCc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)[nH]n1 72268976 YZLRDKUDDAIAMG-CABCVRRESA-N 306.410 1.033 0 40 DDAB O=C(c1c(F)cccc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269604 SANNDVBIOHVWPE-KGLIPLIRSA-N 310.344 1.636 0 40 DDAB COC(=O)c1ncn(CC(=O)Nc2ccc(C(C)C)cc2)n1 72280974 GORXSMBHWJUZGM-UHFFFAOYSA-N 302.334 1.827 0 40 DDAB Cc1cccc(NC2CCN(C(=O)CCS(C)(=O)=O)CC2)c1 72295036 FTRVXQVAFAKREF-UHFFFAOYSA-N 324.446 1.833 0 40 DDAB Cn1c(C2CC2)nc2c1CCN(CC(=O)Nc1nncs1)C2 84310810 CRSKMFXEEUZCNR-UHFFFAOYSA-N 318.406 1.146 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)Sc1ncc(CO)n1C 97371726 VSVXLJKLIJDXNA-CYBMUJFWSA-N 305.403 1.362 0 40 DDAB COC(=O)CN1CCCN(C(=O)Nc2ccc(F)cc2)CC1 97473432 ZNHRPTVAEUFAJY-UHFFFAOYSA-N 309.341 1.538 0 40 DDAB COCCN(CC(=O)O)C(=O)c1cc(OC)c(C)c(OC)c1 95373466 XMUMHNOKXPFIFB-UHFFFAOYSA-N 311.334 1.185 0 40 DDAB COCCS(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12 75094388 FWGNXSVGLLJYMT-UHFFFAOYSA-N 316.810 1.930 0 40 DDAB Cc1nc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)no1 75131309 YVKYKMGHMYNFPY-UHFFFAOYSA-N 318.381 1.346 0 40 DDAB CCc1nc(CN2CCC[C@H](N(C)Cc3cnn(C)c3)C2)no1 75134001 VHFKAMWUWIQQHS-AWEZNQCLSA-N 318.425 1.462 0 40 DDAB Cc1ccc(-c2nnc(Cn3nc4ccccn4c3=O)o2)cc1 89642617 XAAZPPKZYOBWMX-UHFFFAOYSA-N 307.313 1.903 0 40 DDAB Cn1cccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 72336790 VAXGWCNREXLINU-UHFFFAOYSA-N 321.384 1.729 0 40 DDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1)C2 529346932 GKPCJZDCZDDJRW-NGDYIBGOSA-N 317.433 1.449 0 40 DDAB O=C(NCc1ncccc1F)N[C@H](CO)Cc1ccccc1 120267842 LSMCRHHZTDGRIT-ZDUSSCGKSA-N 303.337 1.624 0 40 DDAB COC(=O)c1sccc1NC(=S)N1CCC(O)CC1 72226798 YLRFCQPSNQMETC-UHFFFAOYSA-N 300.405 1.688 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C1(CN)CN 218373759 YLZCHGYBXIGPRL-NWDGAFQWSA-N 302.827 1.144 0 40 DDAB COCCNC(=O)C(=O)Nc1ccc(Br)cc1C 42646252 NJKBIXWELUULIM-UHFFFAOYSA-N 315.167 1.459 0 40 DDAB O=C(NCCc1ccc2c(c1)OCO2)c1nnc2ccccc2n1 46088107 QLWDYSNGTQMGNF-UHFFFAOYSA-N 322.324 1.726 0 40 DDAB COc1ccc([C@H](C)NCCN2CCCS2(=O)=O)cc1F 89520102 FZXYNRKULRTOJJ-NSHDSACASA-N 316.398 1.520 0 40 DDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cc(C)no2)C1 575009085 WLSKZRXVCCGBMK-YPMHNXCESA-N 303.366 1.941 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)CC(F)(F)F)C1 225808872 XMGMZBXMUNTAGL-QMMMGPOBSA-N 305.256 1.417 0 40 DDAB Cc1c(F)cccc1S(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 195530971 DJHKKCGTSOPOQC-ADWYPQAOSA-N 319.423 1.664 0 40 DDAB Cc1ccc(NC(=O)c2ccc(OCc3nnnn3C)cc2)nc1 226752220 IFLXUTXNDBPART-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB c1cnc(N2CCc3ncc(CN4CCCCC4)n3CC2)nc1 96196889 IFTJGFPNVDENBP-UHFFFAOYSA-N 312.421 1.722 0 40 DDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)nn1 96066385 LWZVDELURBSBSO-RBSFLKMASA-N 316.405 1.295 0 40 DDAB c1cncc(N2CCOC[C@]3(CN(CC4CC4)CCO3)C2)c1 96049859 ACEOKEDVNBIGHT-KRWDZBQOSA-N 303.406 1.399 0 40 DDAB CCc1ccc(OC[C@H](O)Cn2cnc(C)c(C)c2=O)cc1 97238467 ZLOOFANICDILIU-OAHLLOKOSA-N 302.374 1.862 0 40 DDAB c1coc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 96226507 XNIIRZRBPMGPOA-KRWDZBQOSA-N 314.389 1.941 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C/C=C/c2ccccc2OC)C1 97235495 QMBIMWTXJWKWNP-PMGBHYCQSA-N 324.446 1.722 0 40 DDAB Cc1cnc(N2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)nc1 96199715 WBEUAHKPBGOTHP-HNNXBMFYSA-N 323.400 1.823 0 40 DDAB Cn1nnc2cc(C(=O)O[C@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc21 96416281 IKLANMQESYWBLQ-SWHYSGLUSA-N 301.346 1.939 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]3C2)cc1 96161749 WZFOAYFRVNAYEE-KURKYZTESA-N 314.429 1.922 0 40 DDAB CC(C)CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181823 CFONBDXVQCARDY-HUUCEWRRSA-N 308.353 1.496 0 40 DDAB COCCN1CCOCC12CCN(C(=O)CC1CCCC1)CC2 96226174 ZCDXVYXAVUEOHR-UHFFFAOYSA-N 324.465 1.907 0 40 DDAB Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN2)n(-c2ccccc2)n1 97234220 XOVMBTYSMCHMHG-GUYCJALGSA-N 312.417 1.980 0 40 DDAB O=C(NCc1ccccn1)[C@]12COC[C@H]1CN(C1CCC1)C2 96110102 KHGCLBQBUWBJDH-CXAGYDPISA-N 301.390 1.199 0 40 DDAB Cc1nccc(C[C@H]2CC[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]32)n1 257257423 KPNKYEJTEMQNFV-IIAWOOMASA-N 323.400 1.916 0 40 DDAB CNC(=O)c1cnn2c([C@@H]3CCCN(C(C)C)C3)ccnc12 257232038 GJEHBPXTSYHHEK-GFCCVEGCSA-N 301.394 1.677 0 40 DDAB CNc1cccc([C@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257313346 URZKRWSFVACYFV-OAHLLOKOSA-N 301.394 1.739 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc2NC1=O 252507982 WZFSZQHLZUQCME-MNOVXSKESA-N 324.402 1.827 0 40 DDAB O=c1c2cc(Br)ccc2ncn1N1CCOCC1 255190435 XEVUDRJGUMQJAJ-UHFFFAOYSA-N 310.151 1.127 0 40 DDAB CO[C@@](C)(CNC(=O)N1CCNC1=O)c1cccc(Cl)c1 96392743 VLMOIBAZKXWCGY-AWEZNQCLSA-N 311.769 1.936 0 40 DDAB CCCC(=O)N1CC2(CC[C@H](CNC(=O)CC3CC3)CO2)C1 575406426 PFADBQDBODJZHX-CQSZACIVSA-N 308.422 1.710 0 40 DDAB CC(C)N1C[C@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O 585099682 XEFPKIKKUCPCPE-OAHLLOKOSA-N 308.813 1.963 0 40 DDAB COCCN(CCOC)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585289685 UYLMIWRQIUGTMQ-RCCFBDPRSA-N 323.433 1.942 0 40 DDAB CCc1ccccc1S(=O)(=O)N(C)[C@H]1CCC(=O)N(C)C1 585141798 FYLUMIOXHBCYNO-ZDUSSCGKSA-N 310.419 1.490 0 40 DDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCCc1ccccc1F 585280416 IFQPFWAAVJEGII-KRWDZBQOSA-N 322.380 1.248 0 40 DDAB Cc1nc(CN2C[C@H]3CN(C(=O)C4CC(O)C4)C[C@H]3C2)cs1 585107592 JTTQVVHXTYCPEW-WZSRBFQBSA-N 321.446 1.113 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@H]1Cc2ccccc2O1 47597478 OLPKBFOXBIEMQE-CQSZACIVSA-N 300.362 1.576 0 40 DDAB Ic1cnc(I)[nH]1 20358067 VZSKMIVGFKARLQ-UHFFFAOYSA-N 319.871 1.619 0 40 DDAB O=C(COCc1ccccc1)N1CCC[C@@H](n2cncn2)C1 72234726 RMLBYXCNBHDITA-OAHLLOKOSA-N 300.362 1.658 0 40 DDAB Cc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)n1C 65452944 WWNKKPPKBRJRAS-UHFFFAOYSA-N 314.393 1.155 0 40 DDAB Cc1cc(NC(=O)c2ccccc2)n(-c2nc(=O)cc(C)[nH]2)n1 15881313 UUJNFFPMNMRHOQ-UHFFFAOYSA-N 309.329 1.825 0 40 DDAB COc1cc2c(c(OC)c1OC)CC[C@]1(C)C(=O)NCN=C21 19626005 NMSJSOFNJQZTAO-INIZCTEOSA-N 304.346 1.541 0 40 DDAB COc1ccc([C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937533 IBXYIFJNEBVJDA-JTQLQIEISA-N 315.373 1.815 0 40 DDAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 169685315 QHRTZOKZCQCLCG-PFHKOEEOSA-N 313.309 1.306 0 40 DDAB CC[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1OC 27131370 CCUPIMACWNKSBS-GFCCVEGCSA-N 303.362 1.871 0 40 DDAB CC(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037985484 LJLILHBEVXCLOR-UHFFFAOYSA-N 301.390 1.542 0 40 DDAB O=C(c1csnn1)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 968358741 LIPOZCBKDSPPQR-AOOOYVTPSA-N 318.358 1.260 0 40 DDAB Cn1ccc(CN2CCN(Cc3ccncc3F)CC2)cc1=O 2086884787 CGSKYHKNLPDIAC-UHFFFAOYSA-N 316.380 1.237 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2c(C)noc2C)C1 2055772201 HLZHWZSJTIDWLM-INIZCTEOSA-N 317.393 1.225 0 40 DDAB CN(C)c1ccc(CCNC(=O)C(=O)NC2CCCCC2)cc1 23004036 HUBMVGWXQRLFMP-UHFFFAOYSA-N 317.433 1.860 0 40 DDAB CC(C)[C@@H](Cn1ccnn1)NC(=O)c1cccc(N(C)C)c1 575616805 PSWLPIZPZPZVRN-OAHLLOKOSA-N 301.394 1.799 0 40 DDAB Cc1cc(N(C)C)nc(NCCNC(=O)/C=C/c2ccco2)n1 49422550 KBSPRMXCMKTNMJ-VOTSOKGWSA-N 315.377 1.686 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1Cc2cccc(F)c2O1 96426257 ZWBJDHSAQHFJQQ-OLZOCXBDSA-N 308.353 1.406 0 40 DDAB NC(=O)[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1 30007768 GEOKPEGSAZFUFR-KRWDZBQOSA-N 312.369 1.817 0 40 DDAB Cc1ccccc1OCC(=O)O[C@@H](C)CN1CCN(C)CC1 20266610 SKXUNMJQQZYQJJ-HNNXBMFYSA-N 306.406 1.553 0 40 DDAB Cc1cc(C)n(CC(=O)NCc2ccnc(N3CCCC3)c2)n1 40489836 GCBQDCMJQGITMP-UHFFFAOYSA-N 313.405 1.812 0 40 DDAB NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20405190 XHPUMUDCOHXVML-UHFFFAOYSA-N 308.691 1.955 0 40 DDAB C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)[C@H]1CCCO1 40504374 LURLABFWNKXUPZ-SMDDNHRTSA-N 303.362 1.514 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1cc(-c2ccccc2)n[nH]1 20616626 JHEFCOZWCUVRSR-UHFFFAOYSA-N 311.301 1.761 0 40 DDAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H](c1ccccc1)n1cnnn1 101343508 HHYGYMQXGYDRPP-TUUVXOQKSA-N 309.373 1.591 0 40 DDAB Cc1cc(OC(C)C)ccc1NC(=O)N1CCO[C@@H](C(N)=O)C1 51617474 PUDBFBMKUKBSMK-CQSZACIVSA-N 321.377 1.500 0 40 DDAB OC1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 69738960 VXLSESCQYCGMEF-CYBMUJFWSA-N 300.196 1.939 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCc2c(C)nn(CCO)c2C)c1 69455058 ATFLHHAUVOHSCA-JSGCOSHPSA-N 305.426 1.736 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1Cc2ccccc2O1 69415201 YHTYPMQKANSOCX-RDJZCZTQSA-N 318.417 1.559 0 40 DDAB O=C(CSc1ncccn1)NCc1ccc2c(c1)OCO2 2617610 TZUFLEWGVKQXPQ-UHFFFAOYSA-N 303.343 1.614 0 40 DDAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1 6679584 LPTNRYZVBBTELI-QMMMGPOBSA-N 304.437 1.835 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)N(C)C2CCC(C)CC2)C1=O 32907869 IZAJGKNKUFTHEU-WXRRBKDZSA-N 309.410 1.744 0 40 DDAB Cc1cc([C@@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)on1 52822104 MPROYEIKGFNZJW-AWEZNQCLSA-N 317.393 1.512 0 40 DDAB CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)OCCc1cccs1 89942191 IOGUWPBXWHTRCP-JQWIXIFHSA-N 319.448 1.798 0 40 DDAB Cc1cccc(NC(=O)C2CCN([C@H]3CCOC3=O)CC2)n1 53164016 UWBUJQHOZATYON-ZDUSSCGKSA-N 303.362 1.356 0 40 DDAB CC1(C)C(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccccc21 57355623 NODKVUPMGCHVPG-LBPRGKRZSA-N 302.374 1.606 0 40 DDAB O=C(NC1CC1)c1cc(Br)ccc1-n1cnnn1 12409935 HSNAIBRZWXQDDO-UHFFFAOYSA-N 308.139 1.317 0 40 DDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(O)c1 1250776 NJICFSFGSZPETL-CYBMUJFWSA-N 322.386 1.757 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O 1328182 KTVZAZRPWJLHID-LBPRGKRZSA-N 320.352 1.769 0 40 DDAB O=C(CCc1ccccc1O)NC[C@H]1CN2CCC[C@H]2CO1 106519137 PQMSKGJVBOKKQK-GJZGRUSLSA-N 304.390 1.304 0 40 DDAB Cn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cn1 25305311 QKYASNYJRBMKLI-GFCCVEGCSA-N 321.768 1.812 0 40 DDAB CCc1nc2cc(N[C@H](C)C(=O)N3CCNC3=O)ccc2o1 56201080 CRVWUAPMIKTZHH-SECBINFHSA-N 302.334 1.742 0 40 DDAB Cc1nnc(O)c2c1[C@@H](c1ccccc1Cl)n1nnnc1N2 10298415 WVLIJUWIGDDGRU-LLVKDONJSA-N 315.724 1.825 0 40 DDAB COCCNC(=O)CN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C 110641212 FWNLSLSJBGUXRL-RDJZCZTQSA-N 320.433 1.828 0 40 DDAB CCCCN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 57738519 SGQWEGJMMNSBSS-GJZGRUSLSA-N 322.430 1.301 0 40 DDAB O=S(=O)(NC[C@H]1CCCNC1)c1ccc(F)c(F)c1F 44502232 CXPQHNATODIZKF-QMMMGPOBSA-N 308.325 1.382 0 40 DDAB CCOc1ccc(CN(C)C(=O)c2ccc(=O)n(C)n2)cc1 27501116 SPOWHHUMTUWDMI-UHFFFAOYSA-N 301.346 1.451 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(O)nc1 10235034 ZSFQQKGJCIEBKW-UHFFFAOYSA-N 308.341 1.962 0 40 DDAB CC(=O)NCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58224113 AZRVLUHZMCBRTQ-UHFFFAOYSA-N 324.324 1.428 0 40 DDAB CCCN(CCC)S(=O)(=O)NC[C@H](c1ccco1)N(C)C 58266197 GWEVXPBEHINNHJ-CYBMUJFWSA-N 317.455 1.839 0 40 DDAB CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(CCOC)n1 44918976 NUKADVSQDQWQDW-QWHCGFSZSA-N 307.394 1.588 0 40 DDAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccn(C)c(=O)c1 44977259 FYSYIFUWYZSVEZ-IUODEOHRSA-N 311.385 1.753 0 40 DDAB O=C(NCc1cnn(Cc2ccccc2)c1)NC[C@H]1CCCO1 44945782 WOICEOFLFIAXFB-MRXNPFEDSA-N 314.389 1.910 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2C)c1C 3395168 XUFWJHXGWGRLGY-UHFFFAOYSA-N 322.390 1.912 0 40 DDAB O=C(Nc1cccnc1N1CCCC1)N(CCO)CC1CC1 58368915 DAFXINKSBKTPSX-UHFFFAOYSA-N 304.394 1.918 0 40 DDAB COC[C@H](C)NC(=O)CSc1nnnn1-c1ccccc1C 3347372 HPDNFPBACYMWAP-NSHDSACASA-N 321.406 1.214 0 40 DDAB COC(=O)CCCNC(=O)CN1C[C@H](c2ccccc2)CC1=O 2273474 BXLXATJMANDMFG-CQSZACIVSA-N 318.373 1.072 0 40 DDAB C[C@H](NC(=O)[C@@H](C)Sc1nnnn1C)c1ccc(F)cc1 3339147 WXKMFPPJFZAPGZ-DTWKUNHWSA-N 309.370 1.707 0 40 DDAB C[C@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 48288831 UDPCJKJRISJKRM-LBPRGKRZSA-N 320.418 1.652 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)cn1 48343004 PHHZVHAZFGOJSR-GXTWGEPZSA-N 319.405 1.647 0 40 DDAB NC(=O)c1ccsc1NC(=O)CSc1nncs1 3413007 QOOKMWVWSGSEJM-UHFFFAOYSA-N 300.390 1.429 0 40 DDAB Cc1csc2nc(CN3CCc4cncnc4C3)cc(=O)n12 69536461 MAFWKFNRPVBTNJ-UHFFFAOYSA-N 313.386 1.413 0 40 DDAB COC(=O)c1cc(NCC(=O)N2CCNC2=O)ccc1Cl 13000622 IXXLJAAXCUXCLU-UHFFFAOYSA-N 311.725 1.090 0 40 DDAB Cn1cccc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69660083 FMFLDEUPHWGPBT-QGZVFWFLSA-N 313.401 1.517 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccc(-n3ccnc3)cc1)C2 69600328 LCXVUEDJSJQFGU-UHFFFAOYSA-N 308.345 1.428 0 40 DDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1C=O 3887086 ABIKYVMIVOUVCP-LBPRGKRZSA-N 311.407 1.354 0 40 DDAB CCCNC(=O)NC(=O)CNC1(c2noc(CC)n2)CCCC1 89960195 MMQVMQWUTUUDFQ-UHFFFAOYSA-N 323.397 1.227 0 40 DDAB CC(C)=CCS(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)o1 64458928 SMOMGDSGYGPKAF-UHFFFAOYSA-N 321.420 1.411 0 40 DDAB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn21 13728452 WTDSTGZJBUVFBK-SNVBAGLBSA-N 301.306 1.199 0 40 DDAB CCN(CC)C(=O)COC(=O)c1[nH]c(C)c(C(=O)OC)c1C 5212053 WZJQVKNWGYDSJA-UHFFFAOYSA-N 310.350 1.443 0 40 DDAB CCCCc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)cc1 65593980 TWYGRXOBOAKBNO-OAHLLOKOSA-N 319.405 1.738 0 40 DDAB Cc1cc2n(n1)C[C@H](CNCc1ccc3c(c1)OCCO3)CN2 65517539 ALAFNFLHWLJUAY-CQSZACIVSA-N 314.389 1.794 0 40 DDAB COCCCNC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 5518796 ZDYQJHQPYOYYOY-SWLSCSKDSA-N 306.387 1.409 0 40 DDAB COc1cccc(C(=O)NCCNC(=O)c2ccc(C)nc2)c1 4985516 KIXHFXLPDKSYRG-UHFFFAOYSA-N 313.357 1.558 0 40 DDAB CCOC(=O)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 15258588 VYGYBEBVURYJAJ-UHFFFAOYSA-N 306.322 1.604 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CCc2cccn2C)C1 80474033 CZOPNAINHIVPRA-KGLIPLIRSA-N 320.437 1.514 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H]1CN(C)CCO1 81385542 YLERCMAYKLFWJC-NVXWUHKLSA-N 317.433 1.050 0 40 DDAB CCCn1c(SCc2nnc(-c3ccco3)o2)n[nH]c1=O 8272977 GHUFDZWGFPPUCG-UHFFFAOYSA-N 307.335 1.917 0 40 DDAB CNC(=O)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 8294872 LZOMNNYQVOWXFN-UHFFFAOYSA-N 322.324 1.535 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](C2OCCO2)C1 69266526 GJGXNFNVQLYLFY-GFCCVEGCSA-N 309.337 1.816 0 40 DDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(CN(C)C)c1 69384645 VWFZRWSZMUQLAY-AWEZNQCLSA-N 321.446 1.998 0 40 DDAB O=C(CC1CCCCC1)NCCNC(=O)NCc1ccccn1 71792479 VKQSXYBKVMHBIG-UHFFFAOYSA-N 318.421 1.967 0 40 DDAB CN1C[C@H](NC(=O)NCCc2ccc(N(C)C)cc2)CCC1=O 96415395 LXHDDYCZHSAYLN-CQSZACIVSA-N 318.421 1.215 0 40 DDAB Cc1cccc(-n2nnnc2SCCCN2CCOCC2)c1 71850876 AUKBRBUZPHSLKT-UHFFFAOYSA-N 319.434 1.785 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)NCc2cccnc2)cc1 71897488 DQOFVXCUIYWUFU-UHFFFAOYSA-N 312.373 1.619 0 40 DDAB C/C=C/c1cc(C(=O)N2CCNC(=O)C2)cc(OC)c1OC 23420916 KAOXKYXOXMXBDZ-SNAWJCMRSA-N 304.346 1.309 0 40 DDAB COc1ccnc(N2CCN(C(=O)Cc3ccsc3)CC2)n1 71819923 ZTHQVNOQBKMQEE-UHFFFAOYSA-N 318.402 1.438 0 40 DDAB CC(C)(C)NC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408977816 YIACZDJVSNUOMG-UHFFFAOYSA-N 324.340 1.806 0 40 DDAB CCc1cc2c(N[C@@H]3CCCN(CCO)C3=O)ncnc2s1 97095905 IEIAQGVKLHSYAD-GFCCVEGCSA-N 320.418 1.649 0 40 DDAB O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCc2[nH]ncc2C1 97021759 UPCLFBSILKVHDZ-LBPRGKRZSA-N 323.360 1.669 0 40 DDAB CNC(=O)NC(=O)CNc1c(F)cc(F)cc1Br 97081963 HPZGGVBGRDCHFM-UHFFFAOYSA-N 322.109 1.595 0 40 DDAB CN(C)[C@H]1CCCN(C(=O)NCCNC(=O)C2CCCC2)C1 72274293 VGZYZOOVVABVFS-AWEZNQCLSA-N 310.442 1.028 0 40 DDAB Cc1nc(C)c(CN2CCO[C@H](CNc3cccnn3)C2)s1 78894168 SAJZTUOSNBOWHX-CYBMUJFWSA-N 319.434 1.863 0 40 DDAB CC(C)(C)c1noc(C[S@](=O)Cc2cccc(C(N)=O)c2)n1 84325139 FMJRLOCBGIQZNG-QFIPXVFZSA-N 321.402 1.915 0 40 DDAB Cn1cc(CNS(=O)(=O)N2CCC[C@@H]2c2ccco2)cn1 78880089 QIMWCSPOXYKFFG-GFCCVEGCSA-N 310.379 1.185 0 40 DDAB O=C1NCCN(C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccs1 78933231 YQLUUZVSXUTISA-ZYHUDNBSSA-N 309.391 1.110 0 40 DDAB CC(C)CN1CC[C@H](C(=O)NCCCCn2ccccc2=O)C1 84544241 HWQVKZUVVWFOJW-INIZCTEOSA-N 319.449 1.723 0 40 DDAB Cc1nc(CC(=O)Nc2cccc(C(=O)N(C)C)n2)cs1 95401024 QGMBOAALIGNFLC-UHFFFAOYSA-N 304.375 1.730 0 40 DDAB COc1cc(OC)c(C(=O)NC2(CC(N)=O)CCC2)cc1OC 95409841 GLOIOQFBZDDBQY-UHFFFAOYSA-N 322.361 1.240 0 40 DDAB C[C@@H](C(=O)Nc1cc(C(=O)N(C)C)ccn1)N1[C@H](C)CC[C@H]1C 95434846 JSJNVMGSNOBMGB-UPJWGTAASA-N 318.421 1.983 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@@H]1CCOC1 95431479 AEWJWNOJRZRIBF-CABCVRRESA-N 302.418 1.928 0 40 DDAB CCOC[C@@H](O)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 79099836 PXUFHSZIJDXZNB-ZFWWWQNUSA-N 300.443 1.257 0 40 DDAB Cn1cc(N2CCN(c3ncc(Cl)cc3F)CC2=O)cn1 79302522 MSFNFWHPHBQJQU-UHFFFAOYSA-N 309.732 1.461 0 40 DDAB O=S(=O)([C@@H]1CCN(c2nc3ccccc3[nH]2)C1)N1CCCC1 95977462 KNBMUZOKVHSPBE-GFCCVEGCSA-N 320.418 1.567 0 40 DDAB Cc1noc(Cl)c1CCC(=O)O[C@H]1CCS(=O)(=O)C1 95952860 TYQUGKNAZLBSGO-QMMMGPOBSA-N 307.755 1.299 0 40 DDAB Cc1nn(C)cc1-c1nn2c(-c3snnc3C)nnc2s1 79487719 MDYAHFBWWUZQPI-UHFFFAOYSA-N 318.391 1.722 0 40 DDAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2ccccn2)CC1 74729466 QDXPGHUZBPHJRN-INIZCTEOSA-N 309.369 1.734 0 40 DDAB COC(=O)C[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 89400703 MLVSAMHJMVJUOX-OAHLLOKOSA-N 300.358 1.999 0 40 DDAB CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cnn(C)c1 75140665 UHWZHDBXXLSKGK-BRWVUGGUSA-N 312.417 1.943 0 40 DDAB COCCCNC(=O)[C@H]1CCc2[nH]nc(-c3cnn(C)c3)c2C1 306144781 ZOJFQMZQDPJXEO-NSHDSACASA-N 317.393 1.068 0 40 DDAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2cc(C)[nH]n2)C3)n1 1550528994 HHCYHSHZNFSTKM-XHDPSFHLSA-N 301.350 1.603 0 40 DDAB O[C@@H]1CN(c2cc(-c3ccccc3)nc3ncnn23)CC12CC2 547958953 PLTQSZAHUKPNFQ-CQSZACIVSA-N 307.357 1.752 0 40 DDAB CN(C)C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 35315366 REZVZZJLUKYJQX-UHFFFAOYSA-N 305.338 1.826 0 40 DDAB CC(C)c1noc(CN[C@]2(CO)COc3ccccc3C2)n1 528654729 XCCGHAJHITULPQ-MRXNPFEDSA-N 303.362 1.649 0 40 DDAB CCCC[S@@](=O)C[C@@H]1CO[C@H](C[S@@](=O)CCCC)CO1 35326116 WDTXZNJFCMZNEA-WZBLMQSHSA-N 324.508 1.868 0 40 DDAB CS(=O)(=O)Cc1noc(CN2CCc3ccc(F)cc32)n1 72583987 YTJCSGJWQNXFBD-UHFFFAOYSA-N 311.338 1.316 0 40 DDAB C[C@]12CN(Cc3ccncc3)C[C@H]1NC(=O)c1ccccc1C2=O 72395014 PNPPBPLYGCIGIH-APWZRJJASA-N 321.380 1.898 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 32820452 AEGFKUTXNIHVJI-UHFFFAOYSA-N 302.315 1.236 0 40 DDAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)cc(-n2ccnc2)n1 72360664 ATZLCPLYKWTETB-GFCCVEGCSA-N 321.406 1.110 0 40 DDAB COc1ccc(OCCN[C@H](C(N)=O)c2ccccc2)cc1 30515244 QBKHWOCDUDOKRX-INIZCTEOSA-N 300.358 1.890 0 40 DDAB COc1ccc(-c2noc(CCN3CCOCC3)n2)cc1OC 72406036 GQYJBFPMHOLAHP-UHFFFAOYSA-N 319.361 1.629 0 40 DDAB COC(=O)/C=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 40542249 MXPBBKHYQDLUDX-WEVVVXLNSA-N 307.327 1.780 0 40 DDAB CCCC(=O)Nc1cccc(N2C[C@H](C(=O)OC)CC2=O)c1 45953957 RGBBDYUEKHFUCX-LLVKDONJSA-N 304.346 1.951 0 40 DDAB O=C(NCCn1cccc1)[C@@H]1CN(Cc2ccccc2)CCO1 81784844 JVDJVHIHMATAJG-KRWDZBQOSA-N 313.401 1.505 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(CC4CCOCC4)C[C@@H]23)n1 96057273 UJBTWYQAXBFBQE-OAGGEKHMSA-N 321.421 1.542 0 40 DDAB c1cc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)ccn1 96058654 QTSMQTTVMRLMFG-HNNXBMFYSA-N 310.401 1.976 0 40 DDAB c1cnn(Cc2cnc3n2CCN(Cc2nccs2)C3)c1 96201092 UTNRBVJKUVMAAF-UHFFFAOYSA-N 300.391 1.600 0 40 DDAB Cc1cncc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 96108728 FCNLEIHTDKVKJZ-SJLPKXTDSA-N 316.401 1.905 0 40 DDAB O=C1C[C@H]2[C@H](CCN2Cc2ccsc2)N1c1cncnc1 96245931 PGESNMQRNYAEBU-KBPBESRZSA-N 300.387 1.918 0 40 DDAB CC(=O)N1CCO[C@@H]2CN(C(=O)CC(F)(F)F)CC[C@@H]2C1 96249860 HYUNNFNSQJVTFU-GHMZBOCLSA-N 308.300 1.035 0 40 DDAB Cc1onc2c(=O)n(C)nc(C(=O)N3CCC[C@@H](C)CC3)c12 96403490 ACCVUYAKBCUPEN-SECBINFHSA-N 304.350 1.492 0 40 DDAB Cc1c(NCC(=O)N(C)Cc2ccco2)cccc1C(N)=O 96453352 YJJDVOCQQKBFDA-UHFFFAOYSA-N 301.346 1.757 0 40 DDAB Cn1cc(N2C[C@]3(CCN(Cc4cccnc4)C3)CC2=O)cn1 96239300 NHVNUNNBJQXEJF-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB c1nnc(N2CCC[C@@]3(C2)CN(C2CCOCC2)CCO3)s1 96226636 LFHZHAGLJGXDTL-HNNXBMFYSA-N 324.450 1.388 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1c1ncccc1C(F)(F)F 96455839 HYVQAPXJASTNDG-VIFPVBQESA-N 323.340 1.618 0 40 DDAB O=C1CCC2(CCNCC2)CN1CC1(Cn2cccn2)CC1 91676811 HVZRIJHQQAPQKK-UHFFFAOYSA-N 302.422 1.656 0 40 DDAB COCCNC(=O)c1nnn(Cc2ccccc2Cl)c1OC 96183566 VQMXNTQFNXXGFT-UHFFFAOYSA-N 324.768 1.365 0 40 DDAB OC[C@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(C2CC2)n1 604382425 RUCVWTNOVDUQLR-QBPKDAKJSA-N 317.433 1.254 0 40 DDAB biogenic,in-vitro COCC(=O)N1CC[C@H](Cc2cccc(-c3ccnn3C)n2)C1 257336162 YNLHGMZMXBWQBD-CYBMUJFWSA-N 314.389 1.520 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cncs2)n1 257241148 HWUCELWZKGHDBM-LBPRGKRZSA-N 305.407 1.857 0 40 DDAB CC(=O)N1CCC(c2nc(C)cc(N3C(=O)OC[C@H]3C)n2)CC1 257232899 GMXYPJZEFKALGZ-LLVKDONJSA-N 318.377 1.856 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2scnc2C)n1 257320853 VYWGMLOWWCFONK-NSHDSACASA-N 320.374 1.469 0 40 DDAB COCc1cccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 257245113 IOCNUVYAUDMMSE-RDJZCZTQSA-N 305.374 1.589 0 40 DDAB COc1ncccc1C(=O)N1CC[C@@H](Oc2ccnc(C)n2)C1 585147058 AEOQYXUSNAXTSS-GFCCVEGCSA-N 314.345 1.482 0 40 DDAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)NCCc1ccncc1 585281164 UICXXNDEVWHXMO-HZPDHXFCSA-N 319.405 1.014 0 40 DDAB O=C(C1CC(F)C1)N1CCCn2c(CN3CCCC3)nnc2C1 585110548 JCFONWOGRZDGDI-UHFFFAOYSA-N 321.400 1.354 0 40 DDAB Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(C)(C)C)nn1 905910273 QGNVZICLGJTZSF-GFCCVEGCSA-N 311.407 1.070 0 40 DDAB Cc1c(CN2Cc3ccnn3CC[C@@H]2CN(C)C)cnn1C 585096957 FZAVBLPMJWOLFJ-OAHLLOKOSA-N 302.426 1.261 0 40 DDAB O=C(CSc1ccncc1)N[C@H]1CCN(c2ccccn2)C1 152429905 NHBJGLBPTCCMQJ-ZDUSSCGKSA-N 314.414 1.964 0 40 DDAB O=C(CCNc1ncccn1)NCCN1CCc2ccccc21 58173296 OGCAZJRDJLIUCK-UHFFFAOYSA-N 311.389 1.458 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58193055 ICBDDKAUZOTLJQ-MRXNPFEDSA-N 321.352 1.507 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H](C)OCc1cccc(OC)c1 65622329 ZKLYFAKCTDMWSH-NSHDSACASA-N 309.362 1.668 0 40 DDAB CCCCc1nc2n(n1)[C@H](C(=O)Nc1ccncc1)CC(=O)N2 17052706 QUBKYHPUUNBCDF-NSHDSACASA-N 314.349 1.538 0 40 DDAB Cc1cc(OCC2CCN(c3nccn(C)c3=O)CC2)ccn1 1775995346 PBRVOLGUBXWEJN-UHFFFAOYSA-N 314.389 1.779 0 40 DDAB O=C(NCCn1cccc1)c1ccnc(O[C@H]2CCOC2)c1 244975180 IFKQNOWUWHYKLR-AWEZNQCLSA-N 301.346 1.481 0 40 DDAB CN1C[C@@]2(COCC1=O)CN(Cc1ccccc1Cl)CCO2 2037983895 KCBOUADHXSEGRT-INIZCTEOSA-N 324.808 1.400 0 40 DDAB Cc1ncsc1CN1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056224239 MUNPJCZRIWYZIH-STQMWFEESA-N 317.418 1.331 0 40 DDAB NC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CCCCC2 4275443 AAIGPJIMQHABDS-UHFFFAOYSA-N 322.386 1.943 0 40 DDAB O=C1C[C@H](n2nnn(-c3ccccc3F)c2=S)[C@H]2CO[C@@H]1O2 6659561 JVUWSQQOVASZDK-MVWJERBFSA-N 322.321 1.193 0 40 DDAB Cn1cc(-c2ccc(CNC(=O)C3CCOCC3)cn2)cn1 575614880 ADRZPMRGEBPCGH-UHFFFAOYSA-N 300.362 1.525 0 40 DDAB CN(C)C(=O)N1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 390832219 YBINJYUBNPSIDI-UHFFFAOYSA-N 321.396 1.878 0 40 DDAB O=S(=O)(c1cccnc1)N1CCn2nc(C3CC3)cc2C1 390831128 PUMIHWOFHYWLNY-UHFFFAOYSA-N 304.375 1.360 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1nnc2n1CCC2 40498466 LHOJWQOEHFITPU-JTQLQIEISA-N 320.780 1.961 0 40 DDAB Cc1ccsc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 40505317 UQCOWWYRVOHQKW-ZIAGYGMSSA-N 324.446 1.524 0 40 DDAB CNC(=O)NC(=O)CCSCc1ccc(OC)c(F)c1 32778710 DGHCALKPKLJUDC-UHFFFAOYSA-N 300.355 1.913 0 40 DDAB O=C(NCc1cccs1)[C@H]1CC(=O)N(CC(F)(F)F)C1 32816034 SFEFKIAQSVHOLW-QMMMGPOBSA-N 306.309 1.775 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]2COCCO2)c1 32806703 KCPQEORUZXKHAC-GDBMZVCRSA-N 321.373 1.783 0 40 DDAB COc1ccccc1C(=O)NC(=O)CSc1cccc[n+]1[O-] 2636287 ULXDCZZFHWMFOF-UHFFFAOYSA-N 318.354 1.377 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccnc1 102746782 LPRWCBCJTVCPCZ-JDZCQTCASA-N 314.385 1.889 0 40 DDAB COc1ccccc1NCC(=O)Nc1sccc1C(N)=O 8211002 PWJRSGWKBSUKLV-UHFFFAOYSA-N 305.359 1.906 0 40 DDAB COCC(=O)Nc1cccc(NCC(=O)Nc2cc(C)on2)c1 29943347 FFPINNQKPILFEP-UHFFFAOYSA-N 318.333 1.619 0 40 DDAB NC(=O)[C@H]1CCCCN1CC(=O)N[C@H]1CCCc2ccccc21 37195071 BKKYCAHZTOXMIZ-JKSUJKDBSA-N 315.417 1.520 0 40 DDAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1COCCO1 41426646 PONCAPNCOQONPM-AWEZNQCLSA-N 306.362 1.435 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN(Cc2ccccn2)CC1 33237838 XCXRBPJNVZAMCP-UHFFFAOYSA-N 314.389 1.898 0 40 DDAB CC(C)N(C(=O)Cn1cnnc1[S@@](C)=O)c1ccccc1 70037967 FWFKOZPCCLWHAP-NRFANRHFSA-N 306.391 1.457 0 40 DDAB Cc1cc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)no1 69322969 PWIMELYACCGZMU-PWSUYJOCSA-N 308.382 1.572 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 2726541 MZAMQYQULKHFKP-UHFFFAOYSA-N 321.310 1.914 0 40 DDAB CCOc1ccccc1N1CCN(CC(=O)NCC(C)C)CC1 57440079 YTRIYKSEKLHDMI-UHFFFAOYSA-N 319.449 1.980 0 40 DDAB CCOc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1 41670316 SXXRIYOSOZWFJI-UHFFFAOYSA-N 316.313 1.584 0 40 DDAB CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCOCC1 33428836 MZLYGXOFMNYZOW-CQSZACIVSA-N 301.394 1.850 0 40 DDAB O=S(=O)(NCc1ccco1)c1ccc2c(c1)OCCCO2 23861758 CYGUYDPVQCHVAF-UHFFFAOYSA-N 309.343 1.919 0 40 DDAB Cc1noc([C@@H](C)OC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 24889438 GKZUCLISTHMMSS-SECBINFHSA-N 324.358 1.841 0 40 DDAB C[C@H](O)CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 47673755 SUUAIJGGQPMDGE-GWCFXTLKSA-N 322.796 1.843 0 40 DDAB CN1CCC(CN(C)c2cc(N3CCC[C@H]3CO)ncn2)CC1 106906031 ZJAORRAZTOWHJE-HNNXBMFYSA-N 319.453 1.216 0 40 DDAB CCOCCOc1ccccc1C(=O)NCCN1CCCC1 2000109 NZDSUVDPKJPHMH-UHFFFAOYSA-N 306.406 1.928 0 40 DDAB CC(C)Oc1cccc(CNC(=O)NCC(=O)N2CCCC2)c1 58158194 APWUKBWZTQKLKB-UHFFFAOYSA-N 319.405 1.895 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1nc2ccccc2s1 44868539 IWYWPYWFRHTTBH-GFCCVEGCSA-N 303.387 1.923 0 40 DDAB Cc1noc(C)c1C(=O)NC1CCN(c2ncccn2)CC1 44943076 VTMAIGFSOBQVIO-UHFFFAOYSA-N 301.350 1.480 0 40 DDAB Cc1cc(NC(=O)CS(=O)(=O)c2cc(F)ccc2F)no1 44947396 GSTGWYCYZDFUHH-UHFFFAOYSA-N 316.285 1.674 0 40 DDAB O=C1CC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)N1 44940822 AGYGJUVGOGELFO-MRVPVSSYSA-N 303.240 1.240 0 40 DDAB C[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCCO2)n1cncn1 44908805 YXLNSUTXNGLHEA-NSHDSACASA-N 302.334 1.269 0 40 DDAB Cc1nc(C(=O)N2CCSCC2)nn1-c1ccc(F)cc1 44954984 RQKKCIHBXYLVCT-UHFFFAOYSA-N 306.366 1.904 0 40 DDAB O=C(CN1CSCC1=O)NC[C@H]1CCN(c2ccccc2)C1 27828978 QQFNGNWJLAQGLS-CYBMUJFWSA-N 319.430 1.162 0 40 DDAB CC(C)c1n[nH]c(NC(=O)c2ccc(Cn3cncn3)cc2)n1 58332766 LTFVFVIUUCCZPL-UHFFFAOYSA-N 311.349 1.820 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCNc1ncccn1 48010159 HNRJAHNLDKUBTB-SMDDNHRTSA-N 314.345 1.233 0 40 DDAB CCCOC(=O)c1ccc(NC(=O)NCC(=O)N(C)C)cc1 48020090 GXVDYDGZDVFYES-UHFFFAOYSA-N 307.350 1.463 0 40 DDAB Cc1ccoc1C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 58414039 XHMMAEOREUWALD-UHFFFAOYSA-N 321.358 1.406 0 40 DDAB CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-] 2201862 KCRWYDLSCHKTSX-UHFFFAOYSA-N 323.308 1.823 0 40 DDAB CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](CO)Cc1ccccc1 110648518 CAFNKTHINKOAQG-OAGGEKHMSA-N 306.406 1.847 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10753403 QITNYQHFFMLWNE-MRVPVSSYSA-N 322.839 1.643 0 40 DDAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc3c(c2)OCO3)o1 3329990 ZQUPQFOQEPRTHG-JTQLQIEISA-N 306.299 1.873 0 40 DDAB CC(C)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 48289666 WPRGPMDKHOPHBM-UHFFFAOYSA-N 301.268 1.770 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccc(F)cc1 48230394 QAWQVNOXXIEHAV-FZMZJTMJSA-N 306.341 1.444 0 40 DDAB Cn1cnc2c1CCN(C[C@@H](O)COCc1ccccc1F)C2 69486477 JMEXIIPHUDHFKZ-CQSZACIVSA-N 319.380 1.495 0 40 DDAB O=C(CN1CCCCCC1=O)N1CCN(c2nccs2)CC1 48308721 VWXXWPRUVBTBQA-UHFFFAOYSA-N 322.434 1.194 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 69845084 XTKZJBKOYIYIFZ-QWHCGFSZSA-N 302.382 1.462 0 40 DDAB COC(=O)c1ccc(CN(C)C(=O)c2ccc[nH]c2=O)cc1 12940216 UFZFTIALHFQBJU-UHFFFAOYSA-N 300.314 1.434 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cncn1)Nc1ccc(Cl)cn1 69597686 ZSKRURRDQNMABM-GFCCVEGCSA-N 320.784 1.430 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2nncn2c1 69622044 BUDJYBVPLYZEPW-ZDUSSCGKSA-N 324.340 1.641 0 40 DDAB Cc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 6239358 ZIOUPRNHQFCKMO-UHFFFAOYSA-N 308.388 1.676 0 40 DDAB CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1C(/C=C/c2ccccc2)=NO[C@H]31 5325128 VOGOEXODQYXNHV-FHWNWKGBSA-N 322.364 1.952 0 40 DDAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 14165651 SQEHNPSDRXEGJE-AXFHLTTASA-N 318.377 1.292 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)Cn1c(C2CC2)nc2ccccc21 65610347 WBEIPFKGNIYMIW-NSHDSACASA-N 314.389 1.555 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCc2ccc(Cl)cc2)C[C@@H](C)O1 14247641 WQYGRYABHFMONL-PHIMTYICSA-N 318.826 1.784 0 40 DDAB C[C@@]1(NC(=O)Cc2c(F)cccc2Cl)CCS(=O)(=O)C1 6507965 UDHNXESORRXFFO-CYBMUJFWSA-N 319.785 1.715 0 40 DDAB CCOC(=O)/C=C/C(=O)OCc1cc(=O)n2cc(C)ccc2n1 7339285 XNUXCJNTWYBDGN-VOTSOKGWSA-N 316.313 1.165 0 40 DDAB COc1cc(CN(C)C(=O)N[C@H](C)Cn2cccn2)ccc1O 71186363 HIFFKVULTDCEMU-GFCCVEGCSA-N 318.377 1.827 0 40 DDAB NC(=O)[C@@H](CNC(=O)C[C@H]1C=CCC1)Cc1ccc(F)cc1 71826732 MMMFVWLJNPRIRM-GXTWGEPZSA-N 304.365 1.942 0 40 DDAB CCc1ncncc1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 72235483 LDEYMUFLENMYCR-CYBMUJFWSA-N 314.393 1.725 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C)N2CCOCC2)n1 72233985 XGSYODPWHJQOQO-CVEARBPZSA-N 320.437 1.212 0 40 DDAB O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccccn1 72404015 YKPURVDAYVSMEL-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCNC(=O)C1 89941190 KUXXMTVYVIDGHY-CHWSQXEVSA-N 301.390 1.380 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN(CCc3ccccn3)C2)C1=O 84597373 MGSGNGBQUOTCNA-MRXNPFEDSA-N 302.378 1.029 0 40 DDAB O=C(C1CCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 84556779 SEMKCIFATQCHGI-MRXNPFEDSA-N 318.417 1.371 0 40 DDAB C[C@@]1([C@H]2CCCN(Cc3ccccc3F)C2)NC(=O)NC1=O 89917266 KJWBWYRVCYBKGD-LRDDRELGSA-N 305.353 1.636 0 40 DDAB O=C1[C@@H](n2cnc3ncccc3c2=O)CCN1CC(F)(F)F 95398435 MNXOTLBPEDGILJ-VIFPVBQESA-N 312.251 1.127 0 40 DDAB C[C@@H]1C[C@H](N2CC[C@H](N(C)Cc3nnc(C4CC4)o3)C2)C(=O)O1 84685901 GQHVQXNADBCFMT-WXHSDQCUSA-N 320.393 1.157 0 40 DDAB Cc1nc(C)c(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402694 PHLDGKTZKQZNLS-LLVKDONJSA-N 319.434 1.962 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)NCc2cc(F)cc(F)c2)cn1 95400940 VZIUPECFLNVMNW-HNNXBMFYSA-N 324.331 1.405 0 40 DDAB CCOc1cccc(NC(=O)c2cnc3sccn3c2=O)n1 95405795 FEQRALASNNERFX-UHFFFAOYSA-N 316.342 1.802 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCC[C@H](C)CO 95444072 VCZJFLUVECMQOW-NSHDSACASA-N 313.419 1.537 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ncon2)cc1N(C)C 95452546 QRIOVXJOJTXDTN-JTQLQIEISA-N 310.379 1.484 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)ccc1F 76062135 DNBZQDSVPVQYFM-LBPRGKRZSA-N 312.410 1.897 0 40 DDAB COc1ccc(N[C@@H]2CCCN(c3cnn(C)c3)C2=O)cn1 98014347 QOUOEUSTWZFRCM-CYBMUJFWSA-N 301.350 1.431 0 40 DDAB COCC(C)(C)NC(=O)Nc1ccn(Cc2ccccn2)n1 95964464 GONLTWNCELPWGF-UHFFFAOYSA-N 303.366 1.873 0 40 DDAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl 89091938 RLHSBSHNFMJOEG-KCJUWKMLSA-N 306.790 1.885 0 40 DDAB CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1nnc(C2CC2)n1C 521920401 LTPIPWIZPJNVIP-RBSFLKMASA-N 320.437 1.708 0 40 DDAB CC1(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)O)C2)CC(F)(F)C1 1552968212 CDEQQLODYCUKKJ-TVQRCGJNSA-N 318.320 1.164 0 40 DDAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NC[C@@H]1CCCO1 39963307 NCJXHDITKQKUNY-LBPRGKRZSA-N 320.776 1.950 0 40 DDAB CC(C)(Oc1cccc(Cl)c1)C(=O)NCCS(C)(=O)=O 79032186 VTJXLNQHOWDKFY-UHFFFAOYSA-N 319.810 1.658 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 36575917 ZIPIOZREBRPGEG-MEBBXXQBSA-N 316.357 1.846 0 40 DDAB Cn1c(O)nc2ccc(C(=O)N3CC[C@@]4(CCCNC4)C3)cc21 564994860 LVSYZJVNRRXWHQ-QGZVFWFLSA-N 314.389 1.495 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)Cn1ncc2ncccc2c1=O 77416654 DLFKLQMMJMRGPL-OAHLLOKOSA-N 324.384 1.284 0 40 DDAB COc1cccc(N2C(=O)C[C@@H](c3c(C)nn(C)c3N)C2=O)c1 71284383 UEHWAGJVPPIFQH-LBPRGKRZSA-N 314.345 1.366 0 40 DDAB CC(=O)N1CCC[C@@H](c2cncc(NC3CCOCC3)n2)C1 72365467 XRCYBTSPBFSTGQ-CYBMUJFWSA-N 304.394 1.793 0 40 DDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1ccnn1C 72394847 VHRNCRMGWKELSS-CQSZACIVSA-N 314.389 1.385 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)c1 40386689 AKJMWEANWDXCIO-GFCCVEGCSA-N 313.361 1.800 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1c(F)cccc1F 77938678 JITTWJUGAHNOMU-CABZTGNLSA-N 312.316 1.571 0 40 DDAB Cc1ccc(CN(Cc2ncc(C=O)cn2)S(C)(=O)=O)cc1 49468296 ADDPLWDHZYDWLM-UHFFFAOYSA-N 319.386 1.559 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)c2c(O)cccc2F)C[C@@H]1C 130626300 HZLKKIQJRSDZPB-RYUDHWBXSA-N 310.369 1.713 0 40 DDAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCCCOC)c1 225966764 HRLONUOTCMRSSY-UHFFFAOYSA-N 314.407 1.239 0 40 DDAB O=C1[C@H](Nc2nc(C(F)(F)F)cs2)CCCN1CCO 133187817 SDOLCSDJSBDIOX-SSDOTTSWSA-N 309.313 1.557 0 40 DDAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C=O)CC1 44841692 NIYIWGHWMLESKM-OAHLLOKOSA-N 304.390 1.761 0 40 DDAB COc1ccccc1CNC(=O)c1cc(N2CCOCC2)on1 224079798 BHYIHQQEGVFSSC-UHFFFAOYSA-N 317.345 1.450 0 40 DDAB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 229793892 JNJUYMAVYLYJRG-CZAMWMTLSA-N 313.309 1.608 0 40 DDAB O=C(NCC[C@H](O)c1cccs1)C(=O)Nc1cccnc1 77115218 LEBDCESNILNYQY-NSHDSACASA-N 305.359 1.322 0 40 DDAB COCCNC(=O)c1ccc(NCCCOC(C)C)c(N)c1 225444417 CHWJDXGZMCXPCF-UHFFFAOYSA-N 309.410 1.872 0 40 DDAB C[C@@H]1CN(C(=O)NCC[C@@H]2CCCO2)CCN1CC(F)(F)F 96485864 YIJSQNRICBDYJU-NEPJUHHUSA-N 323.359 1.834 0 40 DDAB COC(=O)[C@H]1CC(=O)N([C@@H]2CCN(Cc3ccccc3)C2)C1 95919656 DRUJCAWXFFYOAX-LSDHHAIUSA-N 302.374 1.282 0 40 DDAB COCCN1C(=O)CCC12CCN(c1ncc(F)cn1)CC2 96228067 XUVPXMLZDXUFIS-UHFFFAOYSA-N 308.357 1.224 0 40 DDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 96404832 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CCOC(=O)[C@H]1CCCN(C(=O)CN(C)[C@@H]2C=CCCC2)C1 246310021 YGFOVBVYRQVWLC-LSDHHAIUSA-N 308.422 1.829 0 40 DDAB Cc1ccc(N2CC3(C2)OCC[C@@H]3COc2ccccn2)nn1 247878813 BOTWKPGGHMNCAB-CQSZACIVSA-N 312.373 1.854 0 40 DDAB O=C(NCc1cccs1)[C@@H]1CCCN(C(=O)NC2CC2)C1 42384743 JVJZKBIMHDVVOS-LLVKDONJSA-N 307.419 1.948 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)C2CCC(F)(F)CC2)CCO1 257327346 XBADPXJGPOSRNO-ZDUSSCGKSA-N 304.337 1.175 0 40 DDAB CO[C@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@@]12CCCO2 257337693 YTZMLTRAPGKTLI-BBRMVZONSA-N 319.361 1.060 0 40 DDAB CC(=O)NCc1cnc([C@@H]2CN(Cc3cncs3)CCO2)[nH]1 257275361 NOZQKOLMFAQJLO-ZDUSSCGKSA-N 321.406 1.076 0 40 DDAB CO[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@@]12CCCO2 257274048 NJIVUZUMEKAMAT-GJZGRUSLSA-N 311.403 1.564 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)Cc2ccc(C)s2)CC[C@@H]1O 257323315 WJQJJUZYLCBPLZ-KBPBESRZSA-N 310.419 1.087 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2nccs2)n1 257326389 WXAWBKNYQRNGHA-CQSZACIVSA-N 317.418 1.906 0 40 DDAB Cc1cc(CC2CCN(C(=O)c3cncnc3O)CC2)ccn1 257282482 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CSCC[C@@H]1NC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 14138050 UQIUEFOXIDEXAW-JTQLQIEISA-N 324.427 1.754 0 40 DDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)cc3)N2N1 14607164 VCNDVRWHSIKBFM-LBPRGKRZSA-N 313.361 1.250 0 40 DDAB COc1coc(C(=O)Nc2ccc3c(c2)OCCO3)cc1=O 16850779 GVUYIDHCKURNMR-UHFFFAOYSA-N 303.270 1.672 0 40 DDAB biogenic Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](c2ccn(C)n2)C1 575607885 QARVYKFMEXJYTM-ZDUSSCGKSA-N 301.394 1.790 0 40 DDAB Cc1nccc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1889139101 IUBUBSVWIMGDEM-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(N)=O)c2)CC1 29171356 LECLLFABFIITKI-UHFFFAOYSA-N 319.405 1.838 0 40 DDAB O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NCc1ccccn1 36739959 IRUZLWVVKQEDFF-QZTJIDSGSA-N 315.392 1.946 0 40 DDAB CN(C)c1cccc(C(=O)NCC2(N3CCOCC3)CCC2)c1 1776008713 NIMNPDDZRWGNFV-UHFFFAOYSA-N 317.433 1.737 0 40 DDAB CCOCCOC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 21712049 XUXIBBZPDDCDLK-UHFFFAOYSA-N 307.755 1.181 0 40 DDAB O=C(c1cc[nH]c1)N1CC[C@H]2C[C@@H](C(=O)N3CCCC3)O[C@H]2C1 1565545895 NNESGZXJWFTESY-QEJZJMRPSA-N 317.389 1.257 0 40 DDAB COc1cnccc1C(=O)N1CCC[C@@]2(CCN(C)C2=O)C1 1565549785 CLKDYLSXSAEACC-MRXNPFEDSA-N 303.362 1.175 0 40 DDAB CSc1ccc(-c2nnnn2[C@H]2CC(=O)[C@@H]3OC[C@H]2O3)cc1 108484 RUFAIAXJOQYVIR-ZKYQVNSYSA-N 318.358 1.317 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)cn1 2055732322 BCWYLMGRBNAEJA-ZDUSSCGKSA-N 314.389 1.727 0 40 DDAB CO[C@H](CCSC)CNC(=O)C(=O)NCCc1ccccc1 1775969138 YUPCSECKERRXQE-CQSZACIVSA-N 324.446 1.230 0 40 DDAB Cn1cc(-c2nccnc2CNC(=O)Cc2ccsc2)cn1 575619640 LCZPYAUQQDHRIU-UHFFFAOYSA-N 313.386 1.798 0 40 DDAB COc1ncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)cn1 585434480 YJSNIFABRHLNMY-UHFFFAOYSA-N 315.301 1.705 0 40 DDAB COc1ccnc(N2CCN(Cc3nc(C(C)C)no3)CC2)n1 298168235 XVFFBICJZIUQEQ-UHFFFAOYSA-N 318.381 1.314 0 40 DDAB FC(F)(F)c1cccc(-n2nnnc2CN2CCOCC2)c1 20130269 GYHNTOWCMLSOGI-UHFFFAOYSA-N 313.283 1.513 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1-n1cnnn1 40286991 OPHABMGSYDPDRR-UHFFFAOYSA-N 322.328 1.322 0 40 DDAB Cc1sc(-n2cccc2)c(C(=O)N2CCNC(=O)C2)c1C 40490298 NNLCWEKIWPDBHO-UHFFFAOYSA-N 303.387 1.728 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1nnc2n1CCCCC2 40523502 USXIEODUCMXOQY-SECBINFHSA-N 320.315 1.588 0 40 DDAB Cc1ccc(OCCCCNC(=O)c2ccc(=O)[nH]n2)cc1 40542427 JYRPBVFLTJKNFQ-UHFFFAOYSA-N 301.346 1.667 0 40 DDAB COCCCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 40543273 XEMGRXUDJJDUGX-UHFFFAOYSA-N 317.267 1.151 0 40 DDAB C[C@H]1CN(C(=O)NCc2cccc(N3CC=CC3)c2)CCO1 101392317 DDCILOZCPHYGKA-AWEZNQCLSA-N 301.390 1.993 0 40 DDAB CSCc1noc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)n1 72127495 WBCTXLATVHVPEP-CYBMUJFWSA-N 312.395 1.349 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 568930 RLGFDGVIAIWQAP-UHFFFAOYSA-N 324.797 1.863 0 40 DDAB COc1cccc(-c2noc(COC(=O)CCNC(C)=O)n2)c1 11775623 UQAZBIZYOXUQTO-UHFFFAOYSA-N 319.317 1.315 0 40 DDAB C[C@@H]1NC(C(=O)Nc2cccnc2)=NN(c2ccccc2)C1=O 32647194 BOIBQUCAXHLCHP-NSHDSACASA-N 309.329 1.359 0 40 DDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1cccc(Cl)c1 4279998 PGJYNPIEYJEMGJ-NSHDSACASA-N 300.742 1.094 0 40 DDAB CC(C)(C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 4996120 FITOBLKATPIGRG-UHFFFAOYSA-N 302.371 1.506 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1 7688173 XZSYQFLAXBGVGJ-NSHDSACASA-N 314.407 1.278 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1 32912251 CNRLXQIBLGBXAN-WCQYABFASA-N 323.370 1.013 0 40 DDAB CCc1ccc2c(COC(=O)[C@@H]3CCC(=O)N3)cc(=O)oc2c1 21850013 WGAMVBVSBAXVAH-ZDUSSCGKSA-N 315.325 1.677 0 40 DDAB Cn1ccc(NC(=O)c2cc3ncc(Br)cn3n2)n1 2789514 APNBKDCZPAILAA-UHFFFAOYSA-N 321.138 1.478 0 40 DDAB Cn1ncc2c1ncn1nc(COc3ccc(F)cc3F)nc21 2802208 XAKOXZVWDLWVKR-UHFFFAOYSA-N 316.271 1.868 0 40 DDAB CCCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC 22832659 RTHWGRVQRBNVEB-AWEZNQCLSA-N 310.419 1.289 0 40 DDAB COc1ccccc1[C@H](NC(=O)NC1CC1)c1nccn1C 53919667 USKYFKUXNYEFBW-AWEZNQCLSA-N 300.362 1.980 0 40 DDAB NC(=O)NC(=O)CCN(Cc1cccs1)C[C@H]1CCCO1 23078116 PVVSQOMUYBPRCI-LLVKDONJSA-N 311.407 1.314 0 40 DDAB CCOC(=O)c1cc(CNCc2ccc3c(c2)OCO3)on1 12410850 VJVDGHNPHJGOLT-UHFFFAOYSA-N 304.302 1.870 0 40 DDAB NC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 54551204 GEUZTBGPWKHMRZ-HUUCEWRRSA-N 324.336 1.111 0 40 DDAB C[C@H]1C[C@H]1CNC(=O)Cn1nnc(COc2ccccc2)n1 42980680 YJMPIYUMGDPTFC-RYUDHWBXSA-N 301.350 1.024 0 40 DDAB O=C(NCc1ccc(-n2cccn2)nc1)Nc1nncs1 43129977 WZZXPEGCMMDXAH-UHFFFAOYSA-N 301.335 1.441 0 40 DDAB Cc1cc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n2ncnc2n1 100645339 GXFZWSXDGKHNIF-STQMWFEESA-N 322.372 1.218 0 40 DDAB Cc1c([C@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cnn1C 25001428 JOOQAYJBECKEJK-NSHDSACASA-N 310.361 1.800 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sccn1C 25913288 IMWLHHYQQNLMPF-BUHFOSPRSA-N 310.400 1.621 0 40 DDAB COC(=O)[C@@](O)(c1ccccc1)[C@@H]1C(=O)N(C)c2ccccc21 103545220 OHZMQWAFNSGLKZ-MAUKXSAKSA-N 311.337 1.807 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1cccnc1 12634035 QSDJRONIDGAWRC-UHFFFAOYSA-N 314.341 1.988 0 40 DDAB Cc1ccc(C(=O)NCCCN(C)C)cc1NS(C)(=O)=O 56111218 AKGPZOLYHSWKLY-UHFFFAOYSA-N 313.423 1.048 0 40 DDAB O=C(CNC(=O)NCc1ccccc1)NCc1ccc(F)cc1 12608903 RQNHKNLAOBXZLP-UHFFFAOYSA-N 315.348 1.941 0 40 DDAB CCCCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccco2)C1=O 44870399 CJSQDTQRVXEYTI-JTQLQIEISA-N 321.333 1.048 0 40 DDAB CCCCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccco2)C1=O 44870403 CJSQDTQRVXEYTI-SNVBAGLBSA-N 321.333 1.048 0 40 DDAB O=C(CSc1ccc(O)cc1)N1CCN(C(=O)C2CC2)CC1 58246770 WNABHJQWHKTGLF-UHFFFAOYSA-N 320.414 1.565 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cccn1 44975249 NKDKGYWQTCHUTQ-AWEZNQCLSA-N 303.362 1.495 0 40 DDAB CCOc1ncccc1CNC(=O)c1ccnc(-n2cncn2)c1 58329009 XIKVZGTWTZNEOQ-UHFFFAOYSA-N 324.344 1.386 0 40 DDAB Cc1cc(C)n(-c2cncc(N3CCC4(CC3)OCCO4)n2)n1 67711704 AQAZYWAJJPCBHT-UHFFFAOYSA-N 315.377 1.622 0 40 DDAB O=C(CSc1nc(C2CC2)n[nH]1)NC(=O)Cc1ccccc1 11471962 GEJOMYIKGPYVMU-UHFFFAOYSA-N 316.386 1.660 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O 48374270 CHZXUBHNIFNYBS-DOMZBBRYSA-N 312.316 1.965 0 40 DDAB CCN(CC)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 12926135 GNAZHYOOTIYBSV-UHFFFAOYSA-N 310.419 1.918 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600935 PPGKIYAVGSPDTA-KRWDZBQOSA-N 315.373 1.295 0 40 DDAB NC(=O)C1CCN(Cn2nc3n(c2=S)CCCCC3)CC1 13063482 NRUHUOVQJKJBOX-UHFFFAOYSA-N 309.439 1.295 0 40 DDAB CC(C)CNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4045639 SLBUSPNFIMHBHF-XJKSGUPXSA-N 316.357 1.619 0 40 DDAB biogenic COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1scc2c1CCCC2 65372217 RQXHIQKKVJSXBA-WCQYABFASA-N 323.414 1.765 0 40 DDAB C[C@@H]1C(=O)N(c2ccc(Br)cc2)C(=O)C[S@@]1=O 5211358 VEEBJNZFWLENSG-IWEMQMMOSA-N 316.176 1.460 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCCO1 65417564 WEVPYRFDSZJIKP-IUODEOHRSA-N 300.362 1.966 0 40 DDAB Cc1cc(O[C@@H](C)C(=O)NCCCO)c2c(C)cc(=O)oc2c1 5307156 OQUIGHCSYHGEON-LBPRGKRZSA-N 319.357 1.676 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-n2cncn2)cc1 71285055 UZYSTBBBALVSII-NWDGAFQWSA-N 300.318 1.563 0 40 DDAB c1cnn(-c2ccc(CCNc3ccc4nnnn4n3)cc2)c1 14142067 IXZBXHFIKNDTTM-UHFFFAOYSA-N 306.333 1.360 0 40 DDAB CN1CCN(c2cc(NCC3=CCCCC3)nc(N)n2)CC1 65409984 QAIFZKJLZOXGNG-UHFFFAOYSA-N 302.426 1.723 0 40 DDAB CC(C)NC(=O)CN(C)[C@H](C)C(=O)NCc1ccc(F)cc1 15028695 LJHWPVTUEVVRID-GFCCVEGCSA-N 309.385 1.287 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[C@@H](C)O 96011065 FEYZTXYFQQENSC-NWDGAFQWSA-N 308.378 1.091 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1cccc(C)c1)NC(=O)N2 7787150 INKJHRGZUOXPLF-CQSZACIVSA-N 301.346 1.092 0 40 DDAB Cc1nc(C(=O)O[C@@H]2CCOC2=O)nn1-c1ccc(F)cc1 16397737 OKMGUHJZGVKPAC-LLVKDONJSA-N 305.265 1.187 0 40 DDAB COc1ccc(CCNC(=O)[C@H](NC(C)=O)C(C)C)cc1OC 8115329 IZUBFRLJKBBXHJ-MRXNPFEDSA-N 322.405 1.523 0 40 DDAB CN1CCCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 69179803 FFBQQXZDPRVYCW-ZDUSSCGKSA-N 305.378 1.174 0 40 DDAB COC[C@@H](O)CN(C)C(=O)NCCOc1ccc(Cl)cc1 70009642 ZBMOLAPBSKBCMO-LBPRGKRZSA-N 316.785 1.368 0 40 DDAB CN(C)[C@H](CNC(=O)CN1CCCCCC1=O)c1ccccc1 8342469 GDCUBEDQOWSOFJ-MRXNPFEDSA-N 317.433 1.808 0 40 DDAB c1ccc(-c2nnc(CN3CCC[C@@H]3Cn3cncn3)o2)cc1 69484722 BAGRLXPNDWGBAX-CQSZACIVSA-N 310.361 1.993 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3oc(=O)[nH]c3c2)no1 69562653 HAUZKXWQDLXGOJ-QMMMGPOBSA-N 302.290 1.857 0 40 DDAB Cc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(N)=O)c(=O)oc2c1 17264232 FQCYJRXFXHDAKA-NSHDSACASA-N 317.341 1.759 0 40 DDAB C[C@@H](O)CN(CC(=O)N(C)c1nccs1)c1ccccc1 71897020 XQCYFCDUFXQZTN-GFCCVEGCSA-N 305.403 1.993 0 40 DDAB CCN(C)[C@H](C(=O)N1CCN(C[C@@H](C)O)CC1)c1ccccc1 71875859 CWVGZXSYEQCIHC-WBVHZDCISA-N 319.449 1.204 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3cc(C)nn3C)CC2)nn1 71863559 KNAFRVLUDRWDRW-UHFFFAOYSA-N 314.393 1.544 0 40 DDAB Cc1cccc(C)c1-n1nnnc1CN(CC(N)=O)CC(C)C 71821737 RPAGEGODHHEKQK-UHFFFAOYSA-N 316.409 1.222 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 71837309 VKISRWZRZGFWNC-UONOGXRCSA-N 305.353 1.589 0 40 DDAB CN(C)c1nc(CS(=O)(=O)c2ccc(Cl)cn2)ns1 97080132 YZRQAVDMTDXFKQ-UHFFFAOYSA-N 318.811 1.626 0 40 DDAB CCC[C@H]1NC(=O)N(Cc2ccc(Cn3cncn3)cc2)C1=O 97045650 LADJYMUPGZWQJV-CQSZACIVSA-N 313.361 1.547 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)n1 72279962 RQWLREHNKBSOJN-HUUCEWRRSA-N 318.421 1.407 0 40 DDAB FC(F)(F)c1cc([C@@H]2CCCN(CCn3cncn3)C2)n[nH]1 76059580 QUDKZIWICLJAAB-SNVBAGLBSA-N 314.315 1.900 0 40 DDAB O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H](NC2(CO)CC2)C1 97100348 CBIBQBYWLQOUHT-STQMWFEESA-N 314.385 1.708 0 40 DDAB CC(C)C(=O)NCCCNC(=O)NC1Cc2ccccc2C1 97140398 SOZBVUIRYRSXQK-UHFFFAOYSA-N 303.406 1.615 0 40 DDAB C[C@H](C[S@@](C)=O)N(C)c1ccc2nnc(C(F)F)n2n1 97377596 JJJANMQNRGQDRI-GLEHDBDLSA-N 303.338 1.265 0 40 DDAB Cc1cc(C(=O)NC2CCN(c3ncccc3F)CC2)no1 84484883 SDOOHPIXMSBDQV-UHFFFAOYSA-N 304.325 1.916 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cn[nH]c3C)CCO2)n1 95402182 VZKOUGHDZCAEKU-NSHDSACASA-N 304.354 1.002 0 40 DDAB CC(C)(C)NC(=O)N1CCN(CCNC(=O)C2CCCC2)CC1 95413734 VGKSDLGALDMUOT-UHFFFAOYSA-N 324.469 1.419 0 40 DDAB COc1ccc(F)cc1CN1CCN(C[C@H]2CCOC2)CC1 78436207 KCEYYFZGTHLAPU-CQSZACIVSA-N 308.397 1.988 0 40 DDAB CN1C[C@H](NC(=O)c2sccc2Br)CCC1=O 78834687 WVTOVRCYMTXYOE-SSDOTTSWSA-N 317.208 1.861 0 40 DDAB COC(=O)c1ccc(-c2noc([C@H]3CCS(=O)(=O)C3)n2)cc1 78803067 KPCOCDCATMQSSE-NSHDSACASA-N 322.342 1.425 0 40 DDAB CN(C)S(=O)(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 95986219 OIAZIVARNZVNSJ-CYBMUJFWSA-N 302.371 1.130 0 40 DDAB Cc1cc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1 95947090 DORXLPALACHBAK-INIZCTEOSA-N 314.389 1.327 0 40 DDAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 85876862 RKNBNVSQAZEFPV-NSHDSACASA-N 322.320 1.966 0 40 DDAB biogenic CNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409026116 GTCYTZQNUBWTPN-UHFFFAOYSA-N 311.190 1.505 0 40 DDAB COc1ccc(C(=O)NCC(=O)OCc2cc(C)no2)cc1 25400884 BODQOFHOKMRAJE-UHFFFAOYSA-N 304.302 1.465 0 40 DDAB CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H]1CCCN1C 548012735 HZWSOXSALTXGTP-IHRRRGAJSA-N 321.425 1.126 0 40 DDAB COCC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccnc(N)c1 72360811 RWWKGAWBLNRWTF-CYBMUJFWSA-N 315.377 1.754 0 40 DDAB CCOC(=O)C1=C(C)NC(N[N+](=O)[O-])=N[C@@H]1c1ccccc1 33776155 QXURXOWPRWTPMX-GFCCVEGCSA-N 304.306 1.305 0 40 DDAB CC(C)(C)OC(=O)NCC(=O)N1CCN(Cc2ccco2)CC1 79121953 CIMFOCQPMWQCRQ-UHFFFAOYSA-N 323.393 1.449 0 40 DDAB O=C([C@H]1C[C@H]1c1cccnc1)N1CCCN(c2ncccn2)CC1 79000157 PYZQYUBBJSRFKZ-HOTGVXAUSA-N 323.400 1.714 0 40 DDAB CCOCCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)o1 72241074 QLGWAKBKRCDKKA-AWEZNQCLSA-N 308.378 1.622 0 40 DDAB CCOC(=O)C1=C(C)NC(NC#N)=N[C@@H]1c1ccc(F)cc1 72448790 JSYRMLFZBXQJCI-CYBMUJFWSA-N 302.309 1.734 0 40 DDAB NCC1(O)CCN(C(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1 564951998 VEAXCTCTVMWLPD-UHFFFAOYSA-N 324.331 1.426 0 40 DDAB CCn1nc(C)c2c1cnn2CCNC(=O)c1cc(C)nn1C 72240930 YIONLMFAXGUFCO-UHFFFAOYSA-N 315.381 1.033 0 40 DDAB Cc1nc(NC(=O)CN)sc1C(=O)OCc1ccccc1 31959456 BGTDTMBCDLFCNS-UHFFFAOYSA-N 305.359 1.706 0 40 DDAB CCc1ccc([C@@H]2COCCN2C(=O)NCc2cnn(C)c2)o1 77349391 YKLCFDWVZJROLR-AWEZNQCLSA-N 318.377 1.859 0 40 DDAB C[C@H](NC(=O)c1cnn(C)c1)c1noc(Cc2ccccc2)n1 79621768 XJCINZLFVXRAEY-NSHDSACASA-N 311.345 1.885 0 40 DDAB COc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218101658 QZTGSBKLXUUZFV-BZUAXINKSA-N 303.383 1.962 0 40 DDAB O=C(NCC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccccc1 78978680 FCCKQGQROFTLOV-CQSZACIVSA-N 312.373 1.893 0 40 DDAB Cc1cccc(CNC(=O)c2c(O)n3cccc(C)c3nc2=O)c1 226822309 RBQQSAZCBQLEQX-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB NC(=O)c1cc(-c2csc(NC(=O)c3cnccn3)n2)c[nH]1 45853007 PZOFZGKTASDWLT-UHFFFAOYSA-N 314.330 1.279 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1 190091191 SEIRROIKJQDMQY-BXUZGUMPSA-N 321.808 1.974 0 40 DDAB C[C@@H](O)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 192539032 GBJHVKLLDDFUMK-DDTOSNHZSA-N 311.813 1.765 0 40 DDAB CC(=O)NC1CCC(NCc2cccnc2-n2ccnc2)CC1 132506378 FHYATGPHANROAV-UHFFFAOYSA-N 313.405 1.804 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC=C(c2ccccc2F)C1 329320264 DWPVIVVYJFLQJR-LBPRGKRZSA-N 323.389 1.876 0 40 DDAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 571526451 UDVPMRUIWACGJL-JRPNMDOOSA-N 321.373 1.866 0 40 DDAB CCCc1noc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 41122411 QWEVMJVOCFJGOS-NSHDSACASA-N 303.366 1.775 0 40 DDAB Cc1cc(CCNC(=O)N2CCC[C@@H](CO)C2)cc(C)c1O 190915621 ODGZTGOWZZGSPQ-OAHLLOKOSA-N 306.406 1.965 0 40 DDAB CC[C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944814 XXPAAXTVAPPOIV-GWCFXTLKSA-N 316.398 1.721 0 40 DDAB CCn1cc(OCC(=O)N[C@@H]2CCOc3ccccc32)cn1 193554102 RLBYQBRWCHWABK-CQSZACIVSA-N 301.346 1.922 0 40 DDAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)NC3CC3)CC2)N1 96199634 KVSOGNKERLGYLK-OAHLLOKOSA-N 313.401 1.997 0 40 DDAB COc1ccc(CNC(=O)c2cc(C)nn2C)cc1C(=O)O 237308953 SYJYGLDDRSKLCI-UHFFFAOYSA-N 303.318 1.365 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H]1C(=O)N(C)C)[C@H](N)c1ccccc1 96467552 AIVYURAINBCRKO-CFVMTHIKSA-N 303.406 1.402 0 40 DDAB CCCOc1ccc(CCC(=O)N2CCS(=O)CC2)cc1 96430895 YSHIXFWHWOCYAS-UHFFFAOYSA-N 309.431 1.999 0 40 DDAB COCCC(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccc(C)n1 96064039 MBMVKDWSWMANAJ-JKSUJKDBSA-N 303.406 1.602 0 40 DDAB CC(=O)N1CCN(Cc2ccsc2)C[C@]2(CC(=O)N(C)C2)C1 96036034 VRZCQFGCNPDRDT-MRXNPFEDSA-N 321.446 1.261 0 40 DDAB COCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)cn1 96485200 NPRLCHVNWDKYHV-UHFFFAOYSA-N 321.764 1.990 0 40 DDAB O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccccc1F 96413631 ICAPCESFWOEIMP-SECBINFHSA-N 308.231 1.194 0 40 DDAB CCS(=O)(=O)N1CCCn2cnc(COC(C)C)c2C1 96059056 KSEZKRZZTIQXAR-UHFFFAOYSA-N 301.412 1.364 0 40 DDAB CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 96108293 QNBNLORJVUIMIS-HIFRSBDPSA-N 309.435 1.468 0 40 DDAB Cc1ncsc1CN1C[C@H]2OC[C@H](C(=O)NCC3CC3)[C@H]2C1 96216820 YHLIULSRPJTSAU-HZSPNIEDSA-N 321.446 1.425 0 40 DDAB CC(C)CN1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2ccco2)C1 96038900 TWFUUHVDDUWQFN-ARFHVFGLSA-N 306.406 1.889 0 40 DDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)C1=CCCC1)C2 96198604 KCPJHHKITRKOIH-AWEZNQCLSA-N 316.405 1.778 0 40 DDAB O=C(c1ccco1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247801379 FYNXXPUTTVWDCJ-AWEZNQCLSA-N 320.389 1.233 0 40 DDAB NC(=O)c1cc(C[C@@H]2CCCN(c3ccccn3)CC2)ncn1 257216011 CSRQJVLQJIUFRM-CYBMUJFWSA-N 311.389 1.820 0 40 DDAB C[C@H]1Oc2cc(S(=O)(=O)NC3CCCC3)ccc2NC1=O 252489954 KGBFTDUWXZKLNX-SECBINFHSA-N 310.375 1.627 0 40 DDAB O=C(CCn1ccnc1)NCc1ccnc([C@@H]2CCCOC2)n1 257273424 NGNBCEQLGGITOZ-CYBMUJFWSA-N 315.377 1.274 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3ccnnc3)cn2)CCCCO1 257329479 XKDNBRGRDSGIBH-INIZCTEOSA-N 313.361 1.612 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)c2csc3c2CCCC3)C1 257272785 NDWGCMMZCONKFK-INIZCTEOSA-N 308.447 1.766 0 40 DDAB Cc1ocnc1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257265907 MAWCPDGNBPHXQM-INIZCTEOSA-N 316.361 1.091 0 40 DDAB Cc1ccn(CCC(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)n1 257220304 DKIGEKFAQUQQFU-CQSZACIVSA-N 301.394 1.786 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2noc3c2CCCC3)n1 257271085 MWTDMSMWEPFGOT-LBPRGKRZSA-N 316.361 1.799 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(CC2CCOCC2)C1 257338004 YVKDCCDQAQLZDF-LBPRGKRZSA-N 313.423 1.029 0 40 DDAB CC1(C)CC[C@H]2CN(C(=O)c3ccc(O)nn3)CC[C@@]2(C)O1 585286996 YYSGZTDAZCVRGF-MEDUHNTESA-N 305.378 1.992 0 40 DDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1ccc(F)c(Cl)c1)C2 585094999 YSXZAWCCSBDKCK-JTQLQIEISA-N 323.755 1.772 0 40 DDAB O=C(COc1ccc(F)cc1)N1Cc2ccnn2CC[C@H]1CO 585098629 ZVNUNORDPZEQEL-AWEZNQCLSA-N 319.336 1.194 0 40 DDAB C[C@@H](C(=O)Nc1ccc(N(C)C)c(Cl)c1)S(C)(=O)=O 48940652 XZMSXHCPKYGFPZ-QMMMGPOBSA-N 304.799 1.778 0 40 DDAB C[C@H](C(=O)Nc1cccc(N2CCOC2=O)c1)S(C)(=O)=O 49675292 UZXRMBFYTVYMBY-SECBINFHSA-N 312.347 1.015 0 40 DDAB COC(=O)NCC(=O)N1CCN(c2cccc(C)c2C)CC1 54870345 MGUIWEGWCWWGSU-UHFFFAOYSA-N 305.378 1.308 0 40 DDAB COc1c(CNC2CCN(c3ncccn3)CC2)c(C)nn1C 58405229 KAYISGJMGIVCPN-UHFFFAOYSA-N 316.409 1.286 0 40 DDAB CCCS(=O)(=O)N1CCC(c2n[nH]c(=S)n2CC)CC1 69601731 WWOOHUSHBVXHFQ-UHFFFAOYSA-N 318.468 1.880 0 40 DDAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C 69810790 NLVKXTOGNKUCPQ-UHFFFAOYSA-N 313.405 1.703 0 40 DDAB C[C@@]12CCCN(C(=O)c3cnccn3)[C@@H]1CCc1cncnc12 72342435 DBCASHSRQYLLAK-RHSMWYFYSA-N 309.373 1.775 0 40 DDAB CC(=O)N1CCCN(C(=O)Nc2nnc(C(C)C)s2)CC1 65449373 TUPAGGYIUQATBJ-UHFFFAOYSA-N 311.411 1.748 0 40 DDAB NC(=O)c1c(F)c(F)c(F)c(F)c1I 627280106 IGZOPTUZLRBAEB-UHFFFAOYSA-N 318.995 1.947 0 40 DDAB Cc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C 13540285 OKWAXFQOUZLFPC-UHFFFAOYSA-N 311.345 1.192 0 40 DDAB CC(=O)NCC(=O)Nc1cccc([C@H]2CCc3nncn3C2)c1 19699091 XORNKEBNFPKJMS-ZDUSSCGKSA-N 313.361 1.083 0 40 DDAB COc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc(C)[nH]c1=O 19937537 IQMACJBTECDQTN-JTQLQIEISA-N 315.373 1.815 0 40 DDAB CC(C)(C)OC(=O)N1[C@@H]2C[C@H]([C@@H]3OC(C)(C)O[C@H]32)[C@@H]1C(=O)O 169805690 LGSMWHUTRPDMIY-GEVSDDDWSA-N 313.350 1.599 0 40 DDAB COc1cc(CNC(=O)COc2ccc(C(C)=O)cc2)ccn1 29197266 ONVKZKHYLOXYHF-UHFFFAOYSA-N 314.341 1.988 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 33210221 NIQJXYHQWPGVSR-STMXVASLSA-N 316.357 1.556 0 40 DDAB O=C1NC(=O)C2(CCN(c3nc4ccc(F)cc4o3)CC2)N1 891648817 BGXYIDXFENTVJA-UHFFFAOYSA-N 304.281 1.145 0 40 DDAB CS(=O)(=O)N1CCC(CNc2ncnc3cnccc23)CC1 1776001431 RQVXSDVFOZXKMR-UHFFFAOYSA-N 321.406 1.108 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCOc3ccccc32)c1Cl 32085773 IYGYJRUIFLNDFC-UHFFFAOYSA-N 313.766 1.661 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3csnn3)CC2)C1 1565545381 HGPKYWBXDROGTQ-UHFFFAOYSA-N 323.422 1.194 0 40 DDAB C=CC(=O)N1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 2055771803 ZWRANRBLIXIKHP-QGZVFWFLSA-N 301.390 1.734 0 40 DDAB CCOC(=O)c1c(NC[C@@H](C)O)c2cccc(C)c2[nH]c1=O 49001463 LYOKPMZFMPODSO-SNVBAGLBSA-N 304.346 1.806 0 40 DDAB COc1ncc(NS(=O)(=O)c2cc(F)cc(F)c2)cn1 585434490 YUDLEWAULDIGOZ-UHFFFAOYSA-N 301.274 1.564 0 40 DDAB COC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1 2573523 MUMZGNKYLGOJDC-UHFFFAOYSA-N 310.258 1.249 0 40 DDAB biogenic Cn1/c(=N\C(=O)CCCCNC(N)=O)sc2ccccc21 30763555 SAFZZWRJYGJBDA-SAPNQHFASA-N 306.391 1.506 0 40 DDAB COc1ccccc1CCNC(=O)c1cccc(-n2cnnn2)c1 40457593 YOIUMXMPPXBYAP-UHFFFAOYSA-N 323.356 1.643 0 40 DDAB C[C@]12CSCC(=O)N1[C@@H](C(=O)NCc1ccco1)CS2 40554106 WYTXEQFOTAUHAT-MFKMUULPSA-N 312.416 1.303 0 40 DDAB O=C1[C@H]2C=C[C@@H](C2)N1CN1CCO[C@H](c2ccc(F)cc2)C1 101231598 PUGLSWATKJPBMA-BPUTZDHNSA-N 302.349 1.943 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cc(-c3ccccc3)on1)C2 69742837 PKPQMOKKDSUYCP-UHFFFAOYSA-N 309.329 1.898 0 40 DDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC2)C1=O 4514296 UVIPQEWSMMZPLS-INIZCTEOSA-N 319.336 1.261 0 40 DDAB CCCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1 6265043 XSEGFOQQYWGGLJ-ZIAGYGMSSA-N 301.346 1.887 0 40 DDAB CCS(=O)(=O)N1CCN(c2nc3ccccc3s2)CC1 414579 MSTCHSIRCBXBDQ-UHFFFAOYSA-N 311.432 1.768 0 40 DDAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1nc(N)nc(N(C)C)n1 89948137 WQGBLOSKPXPWBE-RYUDHWBXSA-N 322.457 1.545 0 40 DDAB CCCCNC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100843499 YFXSXIWQLRKCQN-STQMWFEESA-N 305.447 1.942 0 40 DDAB COCCOc1cccc(C(=O)NCCCn2cncn2)c1 53026972 KGNQHHRDHJLSTP-UHFFFAOYSA-N 304.350 1.123 0 40 DDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 22616631 XNMRVZGBFRHACW-HNNXBMFYSA-N 315.348 1.722 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN2CCN(CCO)CC2)cc1C 22943363 XZSCUXUHIINYSP-INIZCTEOSA-N 319.449 1.091 0 40 DDAB Cc1cnc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)cn1 22970123 CZXITXYQMYOGQQ-AWEZNQCLSA-N 306.410 1.262 0 40 DDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C1CC1 8502542 XBAJPTGNQNWZRK-GTNSWQLSSA-N 315.373 1.368 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCn3ccnc3)C2)n1 75602761 FHWKOEFDXWQGQN-AWEZNQCLSA-N 302.382 1.345 0 40 DDAB COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CCCNC1=O 75606929 SCPCOPTWBGVVHY-GCZGRYASSA-N 302.374 1.579 0 40 DDAB COc1ccc(CC(=O)Nc2ccc(-n3cncn3)nc2)cc1 24749596 BXUDYJJSMPNMAA-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CCOC(=O)c1nnsc1S(=O)(=O)c1ccc(C)cc1 1401298 JKEWLLJQABPLHW-UHFFFAOYSA-N 312.372 1.856 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(CC2CC2)CC1 55672870 DOUSUZFPUIKCIW-UHFFFAOYSA-N 324.428 1.969 0 40 DDAB COC[C@H](C)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 25381349 ZYKSNHVWTSJPGQ-JTQLQIEISA-N 317.345 1.613 0 40 DDAB CCS[C@H]1CC[C@@H](N(C)CCC(=O)N2CCOCC2)C1 76089711 QPSCRXOPLVKEDU-KGLIPLIRSA-N 300.468 1.841 0 40 DDAB CCCc1cc(=O)n2nc(NC(=O)Cc3ccccc3)nc2[nH]1 101385862 BWQRXIFBCPFVCM-UHFFFAOYSA-N 311.345 1.551 0 40 DDAB O=C(c1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1 107191791 JOSOOLHZKSVOAV-FUHWJXTLSA-N 315.417 1.799 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C12CCCCC2 76042184 HWWOGQHZVQBDQP-KBPBESRZSA-N 323.437 1.646 0 40 DDAB O=C(NCc1cn2ccsc2n1)NC[C@@H]1CCCC[C@H]1O 77757193 FUPIYUGLZXODLW-CMPLNLGQSA-N 308.407 1.746 0 40 DDAB O[C@H](CNCc1nnc2ccccn12)c1ccc2c(c1)OCO2 44974223 FPFIYEARDZYHTL-GFCCVEGCSA-N 312.329 1.281 0 40 DDAB CN(C)C(=O)N1CCN(Cc2noc(-c3ccsc3)n2)CC1 44917900 GQXGPNDOCKJYDH-UHFFFAOYSA-N 321.406 1.597 0 40 DDAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)[C@@H]1CCCO1 27869877 TYRCVKPTFMAEEJ-KOLCDFICSA-N 307.375 1.142 0 40 DDAB CN(C)[C@H](CNC[C@@H]1CNc2ccnn2C1)c1cccc(F)c1 58315928 MHRMWCUGWIIDQJ-CZUORRHYSA-N 317.412 1.956 0 40 DDAB C[C@H]1CN(CCNC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 58357212 NMQIWGUBDIYZSC-BETUJISGSA-N 323.412 1.731 0 40 DDAB COc1ccc(COC[C@@H](O)CNC(=O)c2cccnc2)cc1 58325628 HRQBVUPZVQTRTB-HNNXBMFYSA-N 316.357 1.398 0 40 DDAB Cn1cc(/C=C/C(=O)Nc2ccccc2NS(C)(=O)=O)cn1 28021316 ZAFFTUNCRLGXTL-BQYQJAHWSA-N 320.374 1.444 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C)CC1 78896154 NWNGJFNBCGCLNE-KSSFIOAISA-N 319.424 1.810 0 40 DDAB Cc1ccccc1OC[C@@H](O)Cn1nc2c(cc1=O)CCC2 78869923 XNFYVMSUACSXAY-AWEZNQCLSA-N 300.358 1.480 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2[nH]ccc12 36359157 YXKVXFMFPJXKCA-GFCCVEGCSA-N 314.389 1.707 0 40 DDAB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c2c(C)noc2n1 36359502 VKKZIBDNCWPUMJ-UHFFFAOYSA-N 302.334 1.177 0 40 DDAB CCc1n[nH]c([C@H]2CN(CCCc3cnn(C)c3)CCO2)n1 78892670 VSUNWZFAJDWPAH-CYBMUJFWSA-N 304.398 1.107 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 12751641 KWUIBRLUXBEEHO-GXSJLCMTSA-N 320.345 1.284 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 408620330 JFDUGRCMTQQCNJ-UHFFFAOYSA-N 314.407 1.658 0 40 DDAB Cc1cc(C)n2nc(S[C@H](C(=O)NC(N)=O)C(C)C)nc2n1 3444263 XBKFEFZJCDUNSH-VIFPVBQESA-N 322.394 1.053 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1nnc(-c3ccco3)o1)CC2 69808261 HGYGMQDSFOOAOS-SNVBAGLBSA-N 314.349 1.588 0 40 DDAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCSCC1 48600624 IDRGNWOOTRIOQD-UHFFFAOYSA-N 307.400 1.401 0 40 DDAB N=C1N=C(O)NC(=O)/C1=N/Nc1ccccc1Br 110143329 LZBPURALBACVNK-FRKPEAEDSA-N 310.111 1.238 0 40 DDAB Cc1noc(CSc2ccccc2C(=O)O[C@@H](C)C(N)=O)n1 13008239 VATGTRPHCBUPBU-QMMMGPOBSA-N 321.358 1.701 0 40 DDAB O=C(Cc1ccccc1C(=O)O)NCc1cccc(C(=O)O)c1 70666499 FERFLRUOTHNNCI-UHFFFAOYSA-N 313.309 1.942 0 40 DDAB biogenic CCCNC(=O)NC(=O)COC(=O)c1cc2ccccc2o1 4332356 JCBJLHRNRIQMKM-UHFFFAOYSA-N 304.302 1.825 0 40 DDAB CN1CCN(c2cc(Br)nc3c2NCCC3)CC1 62711053 YDSJFUXFVAPLHM-UHFFFAOYSA-N 311.227 1.954 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 65403886 HONRIMGXFRSHKJ-LBPRGKRZSA-N 323.824 1.761 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F 65435061 PLTAWQDGWPYZPC-QMTHXVAHSA-N 324.331 1.583 0 40 DDAB COc1ccc(CNCCNC(=O)c2ccco2)c(OC)c1 4498099 HBQQLFHGSAGMOT-UHFFFAOYSA-N 304.346 1.816 0 40 DDAB CC(C)CN1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 65604418 WMFYDHZPHGKOBG-MRXNPFEDSA-N 310.413 1.839 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1 6824029 NIGWLYNGGPHGND-GFCCVEGCSA-N 310.419 1.802 0 40 DDAB Cc1cnc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)o1 93260460 BZRHNXAKNMZDAY-UHFFFAOYSA-N 316.361 1.520 0 40 DDAB COc1ccccc1OCC(=O)NCc1c(C)cc(C)[nH]c1=O 7118079 SZAHFYSWKXLMCF-UHFFFAOYSA-N 316.357 1.696 0 40 DDAB O=C(NCc1nnc2n1CCC2)N[C@H]1CCC[C@@H](C2CC2)C1 80574691 SSEIFTOJMBNPMK-OLZOCXBDSA-N 303.410 1.992 0 40 DDAB COC(=O)c1nc(NC(=O)c2n[nH]c3c2CCC3)sc1C 96116870 LDZUWQLJYBRQOG-UHFFFAOYSA-N 306.347 1.702 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NC2CC2)c1C 8077176 HHEGDMQUPJCTDT-ZDUSSCGKSA-N 324.446 1.866 0 40 DDAB Cn1ccnc1CN1CCN(Cc2nnsc2Cl)CC1 69455725 DFSWQSOXGOLFAN-UHFFFAOYSA-N 312.830 1.243 0 40 DDAB C[C@H](CCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 71803959 BUTMBNKBWSHKRX-CYBMUJFWSA-N 310.419 1.620 0 40 DDAB CCOc1ccc(S(=O)(=O)N(CC(F)F)C2CC2)cn1 96500803 DRHUFSHNYSJNKO-UHFFFAOYSA-N 306.334 1.899 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)Cc1c(C)noc1Cl 71904570 VYHSLTJPBKZPMC-ZETCQYMHSA-N 308.787 1.118 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)CCn1ccc2ccccc21 79096102 PYHDDHFJSIQQMA-ZDUSSCGKSA-N 322.430 1.971 0 40 DDAB CN1CCC(=O)Nc2cc(C(=O)NCCc3ccccn3)ccc21 72296001 PKZXRHGRVPPHJP-UHFFFAOYSA-N 324.384 1.833 0 40 DDAB O=C(Nc1ccncc1F)NC1CCN(C[C@H]2CCOC2)CC1 97135939 LNYZGWOFPZBYCE-GFCCVEGCSA-N 322.384 1.843 0 40 DDAB CN1CCO[C@@H](C(=O)N2CCc3c2cccc3C(F)(F)F)C1 97136829 QKHRMASTWUQHQT-CYBMUJFWSA-N 314.307 1.925 0 40 DDAB O=C1CC[C@H](C(=O)Nc2ccc(F)c(Br)c2)N1 72303373 LHFONWIPZQHSTN-SECBINFHSA-N 301.115 1.805 0 40 DDAB O=S(=O)(c1cncc(F)c1)N(CCO)c1cccc(F)c1 95978090 FWJNDKHWSNYEKK-UHFFFAOYSA-N 314.313 1.547 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c(F)cccc2F)C1 95999500 XDXGYUPRSIUOTL-JTQLQIEISA-N 304.362 1.478 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)CCCc1ccc(O)cc1 95979583 XOJZERLTZZOXQY-CQSZACIVSA-N 304.390 1.971 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CC2CCCC2)C1 89718304 YUUAYZISOHOXFS-OAHLLOKOSA-N 306.410 1.991 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C[C@H](O)c3cccc(F)c3)CCO2)n1 89708934 FJTNJIRPSPPAPD-KBPBESRZSA-N 306.341 1.359 0 40 DDAB CC(C)n1ccc(CC(=O)N2CCOC[C@@H]2c2cccn2C)n1 1548471535 KKVFNPQGFUWQSS-MRXNPFEDSA-N 316.405 1.945 0 40 DDAB CSc1ccc([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 22606736 DKQUIUCAZICAII-JTQLQIEISA-N 316.448 1.477 0 40 DDAB COc1ccc([C@@H](NC(=O)NCc2noc(C)n2)C2CC2)cn1 527776532 BBDUEIGDIDVEQQ-AWEZNQCLSA-N 317.349 1.732 0 40 DDAB Cc1cccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 78028730 ZAXZJEXBRQLGRD-UHFFFAOYSA-N 307.375 1.488 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 79412358 WNHRAPQWAZFSSP-CQSZACIVSA-N 305.378 1.205 0 40 DDAB CCC(=O)c1ccc(OCc2ncc(CC(=O)O)c(=O)[nH]2)cc1 217386921 FNHHVQQSGRZGQU-UHFFFAOYSA-N 316.313 1.569 0 40 DDAB Cn1nc(N2CCC[C@@H](C(=O)Nc3nccs3)C2)ccc1=O 75166424 QDSOHVNXTPSTNK-SNVBAGLBSA-N 319.390 1.092 0 40 DDAB Cn1cc(C(=O)NCCc2ccncc2)c2ccccc2c1=O 79191935 YSZYNYHUMVICKU-UHFFFAOYSA-N 307.353 1.906 0 40 DDAB biogenic Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2CC(N)=O)n1 72360952 IGLRKFZALIKFTC-ZDUSSCGKSA-N 312.377 1.546 0 40 DDAB O=C(NCCn1cccnc1=O)C1(c2cccs2)CCCC1 675007902 BUXQZEHEMICHGE-UHFFFAOYSA-N 317.414 1.933 0 40 DDAB COc1ccc(Cc2noc([C@@H]3CCCN(C(N)=O)C3)n2)cc1 78774461 CSLHPAZPUUDPML-GFCCVEGCSA-N 316.361 1.927 0 40 DDAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32610888 BQZDZELFPGHCRQ-CYBMUJFWSA-N 310.419 1.612 0 40 DDAB COCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC 44023485 XNVHMMNCLVRLOQ-UKTHLTGXSA-N 316.357 1.906 0 40 DDAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223623720 FPTGANHHDYKKJK-LSDHHAIUSA-N 316.430 1.775 0 40 DDAB CC1(C)CCN(C(=O)N[C@H]2CC=CCC2)CCS1(=O)=O 193872654 CBKXRJHYCFOIRA-LBPRGKRZSA-N 300.424 1.704 0 40 DDAB O=S(=O)(NC[C@H]1CCCNC1)c1cccc2cnccc12 44502430 LVKNSNFJNYCSHC-LBPRGKRZSA-N 305.403 1.513 0 40 DDAB COCCN1CCN(C(=O)c2ccco2)Cc2cccnc21 96060930 BGOGYGLUMFKGJV-UHFFFAOYSA-N 301.346 1.783 0 40 DDAB CN(C)C(=O)NC[C@H]1CC12CCN(Cc1cccnc1)CC2 96238295 XDIIQJJSUBRDAL-OAHLLOKOSA-N 302.422 1.955 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3cccs3)CCO2)C1 96049755 BJPHSNHGFWCFGX-MRXNPFEDSA-N 324.446 1.700 0 40 DDAB O=C(Nc1cnn([C@H]2CCOC2)c1)[C@@H]1COc2ccccc2O1 96123115 BQJOJGQPCRQYHK-WFASDCNBSA-N 315.329 1.623 0 40 DDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(CCF)C2)C1 96226134 WRNSJAFXAPTMJS-OAHLLOKOSA-N 306.341 1.519 0 40 DDAB Cc1ccc(O[C@H](C)CNC(=O)CCN2CCCC2=O)cc1 96431405 DQWNTYTXCZHDAZ-CQSZACIVSA-N 304.390 1.891 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1cnc(C)cn1)C2 96198047 YAUJZOLNQUOIRP-ZDUSSCGKSA-N 315.377 1.387 0 40 DDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)c1ccc(F)cc1 257224799 FDJQHBLONQZIIB-CQSZACIVSA-N 307.369 1.107 0 40 DDAB O=C(c1ccno1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257236365 HBUQVIHOPWNYBR-LLVKDONJSA-N 313.317 1.790 0 40 DDAB CN1CC[C@H](c2ncc(CNC(=O)CN(C)C3CCCC3)[nH]2)C1 257257015 KNSOABNVNSLRIB-ZDUSSCGKSA-N 319.453 1.319 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cncc(-c2ccnn2C)n1 257248831 JFKGCWQVRVYRAO-CQSZACIVSA-N 301.350 1.187 0 40 DDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCOCC2)C1 257226897 FMQLDMHXFVMMGW-INIZCTEOSA-N 324.808 1.249 0 40 DDAB CC(=O)N1CCC(c2nc(C)cc(N3C[C@@H](C)OC3=O)n2)CC1 257212026 CBPKCNVSEVCMID-LLVKDONJSA-N 318.377 1.856 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 257220139 DJSDSCPVTJKISU-LBPRGKRZSA-N 323.422 1.095 0 40 DDAB COCC[C@@H]1CN(C(=O)c2ccncn2)Cc2cccn2C1 585095564 XPPHGUXGTPTQDD-ZDUSSCGKSA-N 300.362 1.587 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 585182022 FDQFPBGHTDRALT-GFCCVEGCSA-N 302.382 1.451 0 40 DDAB CO[C@H]1CN(CCCOc2ccccc2F)C[C@@H]1CC(N)=O 585278200 NCDOUDIQQJRARA-WFASDCNBSA-N 310.369 1.417 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc[nH]c1=O 57615344 SLROCLNTTIPZKL-LLVKDONJSA-N 300.314 1.287 0 40 DDAB Cn1nc(Br)c2c(NCC3(O)CCC3)ncnc21 69596622 HNXWGMMWAUQUSG-UHFFFAOYSA-N 312.171 1.453 0 40 DDAB NC(=O)[C@@H]1CN(Cc2cccs2)CCN(C2CCOCC2)C1 607853653 KNVXWAAWMWWLEQ-CYBMUJFWSA-N 323.462 1.146 0 40 DDAB Cn1ccnc1[C@H]1CCN(C(=O)NCc2ncccc2F)C1 527227640 KHALSMNEFVFWKE-NSHDSACASA-N 303.341 1.653 0 40 DDAB CCn1ccnc1N1CCN(C(=O)Cc2cccs2)CC1 11695639 ZZDKFDFPOSHJBY-UHFFFAOYSA-N 304.419 1.856 0 40 DDAB CCc1ccccc1NC(=O)C[C@H](C(=O)O)N1CCN(C)CC1 22584882 WSNGTUDKBVJLEL-OAHLLOKOSA-N 319.405 1.278 0 40 DDAB CS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140884 RUJCTSPIFIGEKJ-UHFFFAOYSA-N 313.404 1.937 0 40 DDAB Cc1nc(C)c(C)c(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1888866413 XXFVJSDVSXFHSC-UHFFFAOYSA-N 323.404 2.000 0 40 DDAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 26467533 KJRLUTRCJCKMQJ-LLVKDONJSA-N 323.824 1.542 0 40 DDAB CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1C 26481589 PLLYPDKJVZIBPK-VIFPVBQESA-N 306.391 1.717 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)C(C)(C)C)[C@@H](C)C[C@H]21 1775964451 WQDQUBNUBXKPLE-IGQOVBAYSA-N 310.438 1.668 0 40 DDAB biogenic,in-vitro CCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2nccs2)no1 1775963841 GLKRVCIKEGJJSW-QMMMGPOBSA-N 321.362 1.140 0 40 DDAB biogenic,in-vitro CC1(C)C(=O)NCCN1[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 2037963990 ZBWNKNXNJNOCGT-ARFHVFGLSA-N 318.417 1.558 0 40 DDAB Cc1cc(CN2CCN(c3ccc(N(C)C)nn3)CC2)no1 2087122873 MYSKWNCEHWEZBE-UHFFFAOYSA-N 302.382 1.161 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 270009 WPHIOHOVBVPDFR-QWRGUYRKSA-N 315.391 1.502 0 40 DDAB CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]2c3ccccc3OC[C@H]21 2670621 OAAGULBBCPUWBA-MWLCHTKSSA-N 300.314 1.375 0 40 DDAB Cn1c(=O)c2c(Nc3ccc(F)cc3)ccnc2n(C)c1=O 12227453 SRLOXBGKWZBJBG-UHFFFAOYSA-N 300.293 1.515 0 40 DDAB CCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)CC1 2055738687 KGEIHIRSRUMTLA-UHFFFAOYSA-N 307.369 1.755 0 40 DDAB CO[C@@H](CCSC)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 1775969081 WSOKECWDMDAZQL-JSGCOSHPSA-N 324.446 1.748 0 40 DDAB C[C@@]12CC[C@@H](C[C@H]1C(=O)O)[C@]1(C2)NC(=O)c2cccnc2N1 253596052 MOLUQBOUIQINHD-JIVACREVSA-N 301.346 1.844 0 40 DDAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)CC)C(=O)[C@H]13)O2 2420631 RIGCPESFDQZOOA-GMIGGYDBSA-N 307.390 1.910 0 40 DDAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 136562 XJKQNHGIXHLJEG-YRNVUSSQSA-N 314.322 1.990 0 40 DDAB Cc1ccc2c(c1)[nH]c1c(N3CCN(CCO)CC3)ncnc12 20358442 ZRTLGNBPMWCSEP-UHFFFAOYSA-N 311.389 1.534 0 40 DDAB COc1cccc(C[C@@H](C(=O)NCC(C)C)n2nnnc2C)c1 40540144 XACWDHMRDOEUOI-HNNXBMFYSA-N 317.393 1.546 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)NCc1ccccn1 40512454 NIEKKARATXKEKQ-UHFFFAOYSA-N 322.162 1.322 0 40 DDAB CN(CCc1ccccc1)c1cnn(CCn2cccn2)c(=O)c1 20586431 RGQBZGLANABKIL-UHFFFAOYSA-N 323.400 1.819 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)cc1 65584 PHVZBYRDUUQLGL-LBPRGKRZSA-N 301.306 1.144 0 40 DDAB CN(C)C1(CNS(=O)(=O)c2cnn(C)c2)CCCCCC1 46034219 KFLVDHNZMHPISD-UHFFFAOYSA-N 314.455 1.353 0 40 DDAB CCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 301557 SYWPTHOAZFJIAK-UHFFFAOYSA-N 322.342 1.747 0 40 DDAB Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br 327233 GBHXBOIAVYXQQA-UHFFFAOYSA-N 311.139 1.498 0 40 DDAB COc1ccc([C@H](CC(=O)Nc2nncs2)NC(C)=O)cc1 21215896 JHEAXPLDHUYKMR-LBPRGKRZSA-N 320.374 1.753 0 40 DDAB COc1ccccc1-n1nnnc1S[C@@H]1C[C@H](C)OC1=O 32736416 CMQLQFDPLLLIMW-GZMMTYOYSA-N 306.347 1.467 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32747608 MQLCQLMDHZKYJY-JTQLQIEISA-N 315.276 1.640 0 40 DDAB COc1cc(NC(=O)CSc2nnns2)cc(OC)c1 4966956 ICQHZSQIDUJINL-UHFFFAOYSA-N 312.376 1.681 0 40 DDAB Cc1ccccc1CCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 32803254 FSGMSIMJIMGPFV-ZDUSSCGKSA-N 310.419 1.271 0 40 DDAB C[C@@H](OC(=O)C1(c2ccccc2F)CCCC1)C(=O)NC(N)=O 7562553 VUQNRGXPGJJZTJ-SNVBAGLBSA-N 322.336 1.764 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)NC3=NCCS3)c(C)n2n1 46551634 YMMJCNRLKYWFNV-UHFFFAOYSA-N 317.418 1.806 0 40 DDAB CCOc1ccccc1N1C(=O)C[C@H](SCC(=O)O)C1=O 100855956 FBFWTOVUSZUODX-NSHDSACASA-N 309.343 1.535 0 40 DDAB COc1cc(OC)cc(-c2ncc([C@@H](N)CC(=O)O)cn2)c1 8731005 PVQWLGKROXREAX-ZDUSSCGKSA-N 303.318 1.635 0 40 DDAB C[C@H](NC(=O)[C@@H](C)N(C)CC(N)=O)c1cccc2ccccc12 52831283 YVRZGMKJXMJMOV-QWHCGFSZSA-N 313.401 1.823 0 40 DDAB O=C(c1cnccn1)N1CCC(C(=O)N2CCCCC2)CC1 41594867 DOMITBAKCCCJCL-UHFFFAOYSA-N 302.378 1.341 0 40 DDAB Cn1cc(CN2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cn1 69741524 AVZKYBVUPLAKID-MRXNPFEDSA-N 302.422 1.811 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cccnc2)cc1NC(C)=O 58707600 DJIQROKGSPBQDJ-UHFFFAOYSA-N 321.358 1.849 0 40 DDAB Cc1[nH]c2nc(NC(=O)c3ccc(F)cc3)nn2c(=O)c1Cl 101400340 VGHKMJMUZSXIHK-UHFFFAOYSA-N 321.699 1.771 0 40 DDAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2nccs2)CC1 23009144 CLOWZESBBRGPAE-AWEZNQCLSA-N 315.398 1.795 0 40 DDAB Cn1c(CN2CCN(C[C@@H](O)C(C)(C)C)CC2)nnc1C1CC1 69624375 KLHVHEKSOGBWRO-CQSZACIVSA-N 321.469 1.217 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COCc1ccccc1 24101816 RGMJNEBYBJSOCV-OAHLLOKOSA-N 317.385 1.883 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 24776866 XUWURDVYKCSNID-UHFFFAOYSA-N 316.810 1.448 0 40 DDAB Cc1c([C@H](C)NC(=O)NC[C@@H](c2ccco2)N(C)C)cnn1C 47792568 YPCUMJQZQPMLGK-FZMZJTMJSA-N 319.409 1.985 0 40 DDAB C[C@@H](NC(=O)Cn1cnnn1)c1ccc(Cl)cc1Cl 15997022 RRJXRWBAHUIIIX-SSDOTTSWSA-N 300.149 1.857 0 40 DDAB CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 1401300 ZYGDLTRTPNBGLN-UHFFFAOYSA-N 317.779 1.384 0 40 DDAB CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@@H]1N23 50353391 BUANTXPATFEOJA-IKOXMDCHSA-N 323.389 1.313 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 56967696 UKTYKOPSGQKMBR-LBPRGKRZSA-N 315.377 1.166 0 40 DDAB O=C(C=C1CCCCC1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 56969165 NNIWOVZTZLFGPK-DLBZAZTESA-N 322.449 1.730 0 40 DDAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)N3CCOCC3)cc2NC1=O 12514368 NRZPYPROHDZVGC-MNOVXSKESA-N 319.361 1.065 0 40 DDAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCN(C)CC1 57688699 HUPDTSNABVSOJL-AATRIKPKSA-N 320.389 1.500 0 40 DDAB COC(=O)Cn1cnc2c3cc(OC)ccc3n(C)c2c1=O 2128392 AWNGEZRMFCPUBI-UHFFFAOYSA-N 301.302 1.070 0 40 DDAB biogenic CN(Cc1nnc2n1CCC2)C(=O)NCCc1ccccc1F 44966644 BOSYWZQIUCQQCZ-UHFFFAOYSA-N 317.368 1.748 0 40 DDAB Cc1nn(C[C@H](O)c2ccccc2F)c(=O)c2noc(C)c12 58357084 OGPLNMCATZXRSU-LBPRGKRZSA-N 303.293 1.874 0 40 DDAB COCCn1nc(C(=O)Nc2ccc(C)cc2O)ccc1=O 58343737 JUEHLNMPIFEOAB-UHFFFAOYSA-N 303.318 1.156 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(C2CCCC2)CC1 45085322 AAWYECKJDOSIGF-UHFFFAOYSA-N 304.438 1.666 0 40 DDAB Cc1ncc(CN(C)c2ncc(S(N)(=O)=O)s2)s1 58427802 DJMIJMFUEVMKCE-UHFFFAOYSA-N 304.422 1.192 0 40 DDAB COCCN1C[C@H](C(=O)N[C@@H]2CCOc3ccccc32)CC1=O 45288242 SZDIAGLOLQNXTP-TZMCWYRMSA-N 318.373 1.121 0 40 DDAB COCCCN(CC(N)=O)Cc1cc(Br)cs1 48276935 MQKUCJMVONIQLG-UHFFFAOYSA-N 321.240 1.834 0 40 DDAB CC[C@](C)(CNC(=O)N[C@H](C)Cn1cccn1)N1CCOCC1 48276495 NBBYYMQCFLVINO-GDBMZVCRSA-N 323.441 1.072 0 40 DDAB O=C(O)[C@H]1CS[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1 62712260 FKZBGZZOOSFHGB-ZJUUUORDSA-N 319.304 1.933 0 40 DDAB O=C(O)c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1 110067745 NHAYNCXLVAINJW-UHFFFAOYSA-N 323.356 1.754 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2F)CC1 28909448 NSNRBLUGWWNKRU-JKSUJKDBSA-N 322.380 1.182 0 40 DDAB CC1=NN(c2ccc(C(=O)NCCNc3ncccn3)cc2)CC1 48355010 PYTUSSNIMRBAMC-UHFFFAOYSA-N 324.388 1.905 0 40 DDAB COC(=O)c1ccc(CCC(=O)NCC2CCN(C)CC2)cc1 68329678 BINRCHKFZOOFHT-UHFFFAOYSA-N 318.417 1.864 0 40 DDAB COCCn1cnnc1SCc1c(C)nn(C)c1Cl 68555155 XVXMSWXUWSTRPR-UHFFFAOYSA-N 301.803 1.912 0 40 DDAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)NCc2cccs2)no1 69875715 OMVYUNKVQVMLNJ-SBKAZYGRSA-N 312.416 1.998 0 40 DDAB O=C(CC[C@H]1CCCCO1)NCCc1nc(C(=O)O)cs1 90939528 FJSQVRLKRNXZKV-SNVBAGLBSA-N 312.391 1.849 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(CC2=Cc3ccccc3OC2)C1 92188776 SOEJJHAFZFJGOJ-MRXNPFEDSA-N 313.401 1.952 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(-n2cccn2)nc1 65464616 WMIXGUWBLPNWLH-CYBMUJFWSA-N 308.345 1.209 0 40 DDAB Cc1nc2sc(C(=O)OCC(=O)NC3CC3)c(C)c2c(=O)[nH]1 5311751 QEJSCJCTWJAEMQ-UHFFFAOYSA-N 321.358 1.037 0 40 DDAB COc1cc(NC(=O)CCN2C(=O)CCC2=O)cc(OC)c1 14190281 ZNUMWSVMEXDVBG-UHFFFAOYSA-N 306.318 1.181 0 40 DDAB O=C(O)COc1nc(N2CCCCC2)nc(N2CCCCC2)n1 4898872 RISUWRHELWVNTM-UHFFFAOYSA-N 321.381 1.316 0 40 DDAB Cc1cc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)no1 69458828 CUMJANIEZCKNIZ-LLVKDONJSA-N 313.365 1.131 0 40 DDAB Cc1nc(C)n([C@H](C)CNC(=O)c2ccc3c(c2)OCO3)n1 4988329 LRVNWNFVDHGTGV-SECBINFHSA-N 302.334 1.615 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](n2cccn2)C1 69519397 PDZYEYIAGLPRAW-TZMCWYRMSA-N 302.378 1.058 0 40 DDAB CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 67360880 KGMGZOFBGCIDIV-QGZVFWFLSA-N 317.433 1.636 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cn1 17296534 MFBQJIZOJJSEJN-UHFFFAOYSA-N 313.313 1.454 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1ccc2c(c1)OCO2 29702928 NALMWIUWTSHDRN-UHFFFAOYSA-N 315.373 1.967 0 40 DDAB Cn1nc(C(=O)Nc2nc3ccc(F)cc3s2)ccc1=O 9884110 GBMFIUFCBJUOKY-UHFFFAOYSA-N 304.306 1.781 0 40 DDAB CC(C)NC1=NN=C(c2ccc(S(C)(=O)=O)cc2)CS1 8923403 YPYXSFGEQTYMKZ-UHFFFAOYSA-N 311.432 1.895 0 40 DDAB Cc1cc(S(=O)(=O)N(C)C)cc(NCc2nncn2C)c1C 97048043 XJAJSCIAASRCAZ-UHFFFAOYSA-N 323.422 1.294 0 40 DDAB COC(=O)c1cc(CN(C)CN2C(=O)[C@H]3CCC[C@@H]32)oc1C 83083949 WXXUHLJENZKYRG-JSGCOSHPSA-N 306.362 1.775 0 40 DDAB CC(C)CN1CCO[C@H](COC(=O)c2ccn3cncc3c2)C1 97034309 XZLIDBZYNQNWJA-INIZCTEOSA-N 317.389 1.848 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@@H](C)C3)cc21 72286230 WTIOZAMJMWYKOP-NSHDSACASA-N 324.402 1.005 0 40 DDAB O=C(CNC1(CO)CCOCC1)N[C@@H]1CCCc2ccccc21 69841217 GWIDGLIVEWBJRY-MRXNPFEDSA-N 318.417 1.311 0 40 DDAB CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)ccc1=O 76018305 DAFKEWJHIWEOAB-SGMGOOAPSA-N 319.405 1.748 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)nn1 72242453 NAOIKYQAGDXDLA-NSHDSACASA-N 300.366 1.286 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)[C@@H](C)n2ccnc2)c(C)nn1C 72234407 KCVYOAIXFKKHNA-OLZOCXBDSA-N 317.393 1.858 0 40 DDAB Cc1ccc2nc(CN[C@@H](C)[C@@H](C)n3cccn3)cc(=O)n2c1 71882086 NFVWNPLUNXSRJM-UONOGXRCSA-N 311.389 1.939 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1Cn1cccn1 71866333 KPNUOYSOSQADGE-HNNXBMFYSA-N 315.421 1.857 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCS(=O)(=O)CC1 71803912 IMFLOUCDYFYENA-STQMWFEESA-N 318.439 1.022 0 40 DDAB CC(C)c1nn(C)cc1C(=O)N1CCN(c2cnccn2)CC1 71818677 AJYFNKWXXJGTBR-UHFFFAOYSA-N 314.393 1.296 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)CCCn1cccn1)C2 71860289 MBFBPMVBNPREDU-UHFFFAOYSA-N 314.393 1.470 0 40 DDAB CCc1nc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cs1 72234944 KXGZDYIQPJWGOH-GFCCVEGCSA-N 305.407 1.703 0 40 DDAB CN(C[C@H]1CN(Cc2ccc(F)cc2)CCO1)c1cccnn1 83859285 CEWDLJRHSLRFOZ-INIZCTEOSA-N 316.380 1.953 0 40 DDAB CN(C)[C@@H]1CCCN(C(=O)NCCNC(=O)C2CCCCC2)C1 72274234 MHVXBHIGZCJCBA-OAHLLOKOSA-N 324.469 1.419 0 40 DDAB CC[C@H](CC1CCCC1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 72290668 PSHQGORDCINNAR-MLGOLLRUSA-N 307.394 1.403 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)no1 76043713 DQZJCROTSCDLFT-UPJWGTAASA-N 301.350 1.579 0 40 DDAB COCc1cc(N(C[C@H]2CCOC2)C2CC2)n2ncnc2n1 97145525 UQAAOMZONZLASW-LLVKDONJSA-N 303.366 1.276 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(Cl)o1 72300546 IRTJKQRJFGCGMA-KOLCDFICSA-N 306.815 1.693 0 40 DDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCC[C@@H]1O 72301324 UHMVEZOXVJWRMJ-JKOKRWQUSA-N 320.414 1.767 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 84335489 VNAXDBADRICOLO-HUUCEWRRSA-N 310.344 1.636 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccnc(Cl)c2)C1 76376743 ZDACVLWRPMFSRI-GHMZBOCLSA-N 316.810 1.821 0 40 DDAB Cc1cccc(NC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 97378696 FEZSJXIDAOGOBL-JSGCOSHPSA-N 304.394 1.574 0 40 DDAB CC(=O)N1CC[C@@H](OC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 97380190 QZWSAHALWXPIFX-CYBMUJFWSA-N 317.320 1.993 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ncoc3C(C)C)CCO2)n1 78888782 ZNEKEHORYLUMLS-JTQLQIEISA-N 319.365 1.692 0 40 DDAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccon1 88236638 XMAHGFRNKBYFNU-NSHDSACASA-N 307.256 1.488 0 40 DDAB CCN1CCO[C@H](C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1 78965215 JAWGRBKILOJAMM-NHYWBVRUSA-N 310.369 1.732 0 40 DDAB O=C1N[C@]2(Nc3ncccc31)C(=O)Nc1c2ccc(Cl)c1F 78987271 MZRIZZFJPOHMMX-AWEZNQCLSA-N 318.695 1.835 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccccn3)[nH]2)cn1 95956446 DLEORCZFNYQNNE-QWRGUYRKSA-N 309.333 1.342 0 40 DDAB C[C@H](C1CC1)N(C(=O)CS(=O)(=O)c1nccs1)C1CC1 79013853 LPRGLEFERWWQIR-SECBINFHSA-N 314.432 1.706 0 40 DDAB CSCc1nc(NC(=O)[C@H]2COCCO2)ccc1Cl 75144186 GTPMXZAYQOKKRN-SNVBAGLBSA-N 302.783 1.952 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1 408600796 CMBQWWHVTGEPNK-UHFFFAOYSA-N 308.359 1.176 0 40 DDAB COc1cccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)c1 36635304 PVDNCYCZTAHXMI-NSHDSACASA-N 305.359 1.337 0 40 DDAB Cc1nn(C(C)C)cc1C(=O)N1CCNC(=O)[C@@H]1CC(C)C 519654161 UILMSKBBPHFXJE-AWEZNQCLSA-N 306.410 1.759 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCc3sccc3C2)C[C@@H](C)O1 32895849 CCBPYMWZFUOBNX-PHIMTYICSA-N 316.448 1.460 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCCc2ccccc2F)C[C@@H](C)O1 32895608 IHPBPGFLYUXRKZ-VXGBXAGGSA-N 316.398 1.312 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1ccccn1 72366142 ISVZEUIXGDJZIW-LBPRGKRZSA-N 306.391 1.545 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1C 211099622 UQFHNSJONXJSOW-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB C[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H](C)O1 44944131 YFTRUKPMAHTYKR-PHIMTYICSA-N 302.396 1.139 0 40 DDAB O=C(O)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 79413623 GMCJAJRDQGANJE-CQSZACIVSA-N 306.362 1.709 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CCN(CC(F)(F)F)CC1 38679311 ODZNOSSESGXMHL-UHFFFAOYSA-N 324.306 1.950 0 40 DDAB CCN1CCN(C(=O)c2cc(C3CC3)[nH]c(=O)c2)C(C)(C)C1=O 186440112 BZVOHOPUTOIZCN-UHFFFAOYSA-N 317.389 1.335 0 40 DDAB CCOc1ncc(C(=O)NCCc2cnn(C)c2)cc1Cl 78998981 HJJWSQXDCCHTIU-UHFFFAOYSA-N 308.769 1.840 0 40 DDAB COC(=O)c1cc(CO)n(C[C@@H](O)c2ccc(Cl)cc2)n1 71328502 UKBNPGDCDNWBIN-CYBMUJFWSA-N 310.737 1.549 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(O)=Nc3nncn32)cc1 49547277 QPUGTIZOVJAAEM-LLVKDONJSA-N 314.305 1.408 0 40 DDAB Cc1cc(C)nc(NCCC(=O)Nc2n[nH]c(C3CC3)n2)n1 79479735 UGJJPKOKSKBCOQ-UHFFFAOYSA-N 301.354 1.530 0 40 DDAB O=S1(=O)CCN(C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 190990019 VOHWWYDNYBEYEF-OAHLLOKOSA-N 312.479 1.538 0 40 DDAB CN1CCC[C@@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 41124058 FVYUNFXANZJKHN-SFHVURJKSA-N 321.440 1.400 0 40 DDAB CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953112 HZJZPTYUOOBADK-XHDPSFHLSA-N 324.402 1.448 0 40 DDAB CC(=O)c1ccc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc1 40386602 CIESDNISWQWAQY-NSHDSACASA-N 313.317 1.078 0 40 DDAB COCCCNC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225732499 CGVRXKYTGHFEQD-UHFFFAOYSA-N 308.765 1.808 0 40 DDAB O=C(O)[C@@H](c1ccccc1F)N1CCN(c2ncccn2)CC1 571452346 GPVHPKTVLDYCTA-CQSZACIVSA-N 316.336 1.564 0 40 DDAB CCCNC(=S)Nc1nc(OC)cc(N2CCOCC2)n1 225884392 ZNAVNNPJKSDDMA-UHFFFAOYSA-N 311.411 1.018 0 40 DDAB CC(C)S(=O)(=O)CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 331093040 XYGGJJNCVFQSHS-CYBMUJFWSA-N 313.394 1.965 0 40 DDAB Cn1c2c(ccc1=O)C[C@@H](NC(=O)NCc1cccnc1)CC2 96189614 RPKYFYCDSPACJP-AWEZNQCLSA-N 312.373 1.137 0 40 DDAB COC[C@@H]1CN(C(=O)COc2ccccc2)Cc2ncn(C)c21 96044774 KEBWXFOLCKMLSW-ZDUSSCGKSA-N 315.373 1.571 0 40 DDAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3cncn3C)C2)C1 96073435 NTNJKZYLKDAGLO-XJKSGUPXSA-N 307.394 1.468 0 40 DDAB Cc1ccc(C(=O)N2CCN(CCOC[C@H]3CCCO3)CC2)o1 96421101 VLAPSHUNZMINAQ-OAHLLOKOSA-N 322.405 1.541 0 40 DDAB CN(C)C(=O)N1C[C@@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 96042578 ARGZJEWHQBNIQH-KFWWJZLASA-N 322.409 1.203 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(CC3CCOCC3)CC2)O1 96061152 WVNLQGOSYLPKTK-HNNXBMFYSA-N 310.438 1.515 0 40 DDAB CNS(=O)(=O)[C@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 97371318 YDPZPRYUPWDPJF-DOMZBBRYSA-N 314.426 1.770 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96038886 ATJZFERIVGFXSW-YNEHKIRRSA-N 307.419 1.259 0 40 DDAB O=C(c1ccno1)N1CCC2(CC1)CC(N1CCCC1)=NO2 96240294 ZHRJCSYJSFVQFO-UHFFFAOYSA-N 304.350 1.479 0 40 DDAB NCCCC[C@@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)O 98087581 CJPMLWRZFHGSOZ-ZIAGYGMSSA-N 308.378 1.244 0 40 DDAB Cc1nnc(N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)s1 96217864 PCJQXFMVCDGWRT-UONOGXRCSA-N 320.418 1.777 0 40 DDAB CCc1noc(CCC(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)n1 257244797 IMVLQKRICNUGIC-NSHDSACASA-N 319.365 1.196 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(Cc2ccnn2C)C1 257251876 JSQOXHLBZJMJND-ZDUSSCGKSA-N 300.410 1.707 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc(C(C)C)nc2)n1 257293405 QPIOBTOVHFJFOB-ZDUSSCGKSA-N 315.377 1.845 0 40 DDAB Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 257300555 RUSZLESPMKQVDJ-LLVKDONJSA-N 307.379 1.076 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CO)C1 85468371 AXEQWABOWAWPIU-GRYCIOLGSA-N 321.402 1.104 0 40 DDAB COC(=O)c1sccc1NC(=O)CCc1ccc(=O)n(C)n1 96123963 XSYZHPSMWJVEIA-UHFFFAOYSA-N 321.358 1.200 0 40 DDAB CO[C@]1(COc2ccc(F)cc2)CCCN(S(C)(=O)=O)C1 585274863 PTVYLNJLQYRXSX-CQSZACIVSA-N 317.382 1.645 0 40 DDAB COCCc1cnc2n1CCN(C(=O)[C@H]1CCCS1)[C@@H]2C 585098706 XQUMVUCGGSMPAN-DGCLKSJQSA-N 309.435 1.871 0 40 DDAB O=C(C[C@@H]1CN(C2CCC2)Cc2cccn2C1)N1CCOCC1 585099249 YTUSMZSDUMNKBV-HNNXBMFYSA-N 317.433 1.721 0 40 DDAB CN(CCc1cccs1)C[C@@H]1CCCN(S(C)(=O)=O)C1 132029395 XJHLZYUVVZPTIF-ZDUSSCGKSA-N 316.492 1.894 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCCC1 70039456 JEYZSFWWHVNUFZ-IAGOWNOFSA-N 321.465 1.768 0 40 DDAB CC(=O)N1CCN(c2cccc([C@H]3CCCN(C)C3)n2)CC1 72365061 SSDZAPNKILRBFK-HNNXBMFYSA-N 302.422 1.559 0 40 DDAB Cc1ccc(C(=O)N2CCN(CCCc3cn[nH]c3)CC2)o1 72597455 FMUPUIPKATVVLY-UHFFFAOYSA-N 302.378 1.702 0 40 DDAB Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)[nH]1 75118559 LZMMZGRKKYQBKV-UHFFFAOYSA-N 315.348 1.785 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107059171 IHZGUAYDSNRCSE-LRDDRELGSA-N 320.393 1.444 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 1576101 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CC(C)c1noc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1 31815592 YLJSRDJYKQMASC-UHFFFAOYSA-N 320.349 1.817 0 40 DDAB Cc1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)s1 888106996 LFOSJRXSXRNAHZ-UHFFFAOYSA-N 319.448 1.657 0 40 DDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)c1nccs1 1775963721 AGFNUQLCJCVSJH-FTYKPCCVSA-N 319.430 1.908 0 40 DDAB biogenic,in-vitro Cc1ccn2c(=O)c(C(=O)NCc3ccccn3)c(O)nc2c1 9830173 QQYQMXGGAYQLOH-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB O=C(/C=C/c1ccco1)NCC1CCN([C@H]2CCOC2)CC1 575415598 GBQAVIRNBFUCEH-BWPKMQGJSA-N 304.390 1.910 0 40 DDAB Cc1ccc(=O)n(CC2CCN(c3ccc4nccn4n3)CC2)n1 585503290 OBYFNZOWWHTVKN-UHFFFAOYSA-N 324.388 1.511 0 40 DDAB C[S@](=O)c1nncn1Cc1ccn(-c2ccc(F)cc2)n1 96424916 QIUUTMIDXGLQCL-OAQYLSRUSA-N 305.338 1.389 0 40 DDAB C[C@H](OC(=O)c1ccc2c(c1)COC2)C(=O)NC(=O)NC1CC1 50024166 HSJALZFXCNZYPQ-VIFPVBQESA-N 318.329 1.250 0 40 DDAB CCCn1nc(C(=O)NCCN2CCCCCC2)ccc1=O 40510051 CFMXDLXJRJQDEL-UHFFFAOYSA-N 306.410 1.259 0 40 DDAB COc1ccc([C@H]2SCCN2S(C)(=O)=O)cc1OC 250027 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c1cc(-n2cnnn2)ccc1Oc1ccc(-n2cnnn2)cc1 499443 CCTYQHGMNVULKI-UHFFFAOYSA-N 306.289 1.430 0 40 DDAB CCOC(=O)c1ccc(Nc2nn3c(=O)c(C)nnc3[nH]2)cc1 101323178 KZJQLCZGGWIMSB-UHFFFAOYSA-N 314.305 1.041 0 40 DDAB Cc1ccccc1N(CC(=O)NCCC(C)C)S(C)(=O)=O 8571225 QPJZTRFRTSQCTE-UHFFFAOYSA-N 312.435 1.923 0 40 DDAB Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)o1 107739484 KTIYUUNGQLRBBI-DLBZAZTESA-N 308.422 1.900 0 40 DDAB CCOC(=O)N(C)CC(=O)NCc1cccc(NC(C)=O)c1 53089748 GJFRPWZGTCLEKN-UHFFFAOYSA-N 307.350 1.350 0 40 DDAB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccncc2)n2ncnc2N1 17832012 DVARGLQIDMMBGS-OAHLLOKOSA-N 324.388 1.975 0 40 DDAB NC(=O)c1nnc2sc(-c3ccc(Br)cc3)nn12 57339029 NDSDKALXLYCYLI-UHFFFAOYSA-N 324.163 1.714 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)C[C@@H]2CCCO2)ccn1 47014251 YGIGQTIEGLGMKL-AWEZNQCLSA-N 300.362 1.761 0 40 DDAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(CC)n1 28235291 MTGMJAFHYAMAHB-UHFFFAOYSA-N 318.381 1.512 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@@H]4CCC[C@H]43)nc2n1 53385028 ORPCQWASFQFHTR-VXGBXAGGSA-N 301.350 1.135 0 40 DDAB CC(C)NC(=O)CN(C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 23640336 NFHXELSLINNYNT-UHFFFAOYSA-N 322.796 1.533 0 40 DDAB CN(Cc1nc[nH]n1)C(=O)Cc1cccc(Br)c1 78006800 NEMZCFQMMHBWCP-UHFFFAOYSA-N 309.167 1.768 0 40 DDAB CCOC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 35154674 OSEVLLQWRWLUPK-UHFFFAOYSA-N 315.366 1.790 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@H]1CCOC1 108125114 AEWJWNOJRZRIBF-LSDHHAIUSA-N 302.418 1.928 0 40 DDAB COC(=O)[C@H](NC(=O)COc1ccc(F)cc1F)C(C)C 24910908 NOIXEHXAKXPWRL-CYBMUJFWSA-N 301.289 1.657 0 40 DDAB CCCn1nnnc1CN1CCO[C@@H](c2ccc(F)cc2)C1 44736504 TWWMIYDDYNZZEA-CQSZACIVSA-N 305.357 1.796 0 40 DDAB c1ccc2nc(NCCNc3ccc4nnnn4n3)ccc2c1 58158661 BCSLKDZETQVWSI-UHFFFAOYSA-N 306.333 1.592 0 40 DDAB C[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccccc1C(F)(F)F 58161939 QVASDNPWTGIFGK-JGVFFNPUSA-N 303.284 1.939 0 40 DDAB CNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 44813179 UOMPQMJDPGLADX-GFCCVEGCSA-N 318.352 1.834 0 40 DDAB Cc1cc(C)c2c(c1)[C@H](NC(=O)CNC(=O)C1CC1)CCO2 58247040 IOCHGXDHBWAQDV-CQSZACIVSA-N 302.374 1.769 0 40 DDAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)N1CCCCC1 28037536 ZSMAOTOIXJXBET-UHFFFAOYSA-N 308.407 1.725 0 40 DDAB CN1CC[C@H](C(=O)N(C)CCCOc2ccccc2)CC1=O 48175811 GBDVOTHSYBQORG-AWEZNQCLSA-N 304.390 1.782 0 40 DDAB CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)C2)cn1 48234263 HDEGNGALQSELBA-ZDUSSCGKSA-N 304.394 1.022 0 40 DDAB NC(=O)[C@H](OC(=O)COc1ccccc1F)c1ccccc1 11238631 DWOALBCBKWUOIG-OAHLLOKOSA-N 303.289 1.974 0 40 DDAB COCCNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11551197 IGVRNWPCQKERKP-UHFFFAOYSA-N 317.345 1.978 0 40 DDAB CC(C)c1noc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)n1 29144168 LZOBZLIXLFCGRZ-AWEZNQCLSA-N 304.306 1.753 0 40 DDAB CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1CC 13096074 RVUIMQMPHKSOFO-NWDGAFQWSA-N 309.410 1.769 0 40 DDAB CCCCN(CC(N)=O)C(=O)Cn1nc(C)c(Cl)c1C 48892200 DNVUBDCDWQTZEE-UHFFFAOYSA-N 300.790 1.267 0 40 DDAB COc1cc(OC)c([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 62712683 IUPYXDQHHMQQBS-OBJOEFQTSA-N 324.421 1.821 0 40 DDAB CN(CCc1ccc(Br)cc1)CC(=O)NC(N)=O 69559180 ZOCZEMDPNBMWAZ-UHFFFAOYSA-N 314.183 1.118 0 40 DDAB C[C@@H](O)CN1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 69627754 NEOQENGAVGMGGG-ZIAGYGMSSA-N 316.405 1.796 0 40 DDAB C[C@@H](C(=O)N(C)CC(=O)N(C)c1ccccc1F)n1cccn1 69847427 MIAZIIAELLFKQM-LBPRGKRZSA-N 318.352 1.705 0 40 DDAB Cc1nc(CN2CCCN(Cc3nccn3C(C)C)CC2)no1 69879840 DVHSNBJUNLISPD-UHFFFAOYSA-N 318.425 1.863 0 40 DDAB Cc1nnc2n1C[C@H](NCc1cnn(Cc3ccccc3)c1)CC2 65566900 HFWQTHLMUQKTFD-QGZVFWFLSA-N 322.416 1.936 0 40 DDAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCS(=O)(=O)C1 6551709 ANRCFVSVSJSQRG-VIFPVBQESA-N 321.757 1.161 0 40 DDAB Cc1nc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[nH]c(=O)c1C 67172895 OIHRKGOXJGSYHF-GFCCVEGCSA-N 322.409 1.880 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 84177528 KHAICOHWJDLFGH-DOMZBBRYSA-N 324.446 1.421 0 40 DDAB CNC(=O)NC(=O)CN[C@@H](C)c1cccc(Br)c1 97033059 GOHHPDFJVGFMLD-QMMMGPOBSA-N 314.183 1.555 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cncn1 71796482 WRYHKMQVZWOJSM-ZIAGYGMSSA-N 302.382 1.535 0 40 DDAB Cc1cnn(C[C@@H](C)NCC(=O)Nc2ccc(Cl)cn2)c1 71874835 RQLKEIWBIAXSJP-LLVKDONJSA-N 307.785 1.857 0 40 DDAB Cc1[nH]ncc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863683 JLIJPUMIOGHIHX-MRXNPFEDSA-N 314.389 1.210 0 40 DDAB Cc1nnc(O)c(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)c1C 71818692 VACHTOSYTXWPEM-LBPRGKRZSA-N 314.345 1.295 0 40 DDAB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cccn1C 71896171 XJYBUEQRVAUQPX-CYBMUJFWSA-N 309.435 1.703 0 40 DDAB CNC(=O)Cn1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1 71819988 VQFSACLYVLULLV-UHFFFAOYSA-N 316.336 1.439 0 40 DDAB Cc1cc(C)n2nc(C(=O)Nc3ccnc4ccnn34)nc2n1 71888835 BBQYYOAAPRQSDS-UHFFFAOYSA-N 308.305 1.036 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2cccc3ncccc23)CC1 71881832 HEIPIYIZKIPTQN-UHFFFAOYSA-N 313.401 1.764 0 40 DDAB CCc1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)CC2)cc1 71803858 OWCKSONUKDSISE-LBPRGKRZSA-N 310.419 1.750 0 40 DDAB CN1CCO[C@@H](CNCC(=O)N2CCC[C@@H]2c2cccs2)C1 72267973 ZCHWJZGVPALUSJ-UONOGXRCSA-N 323.462 1.332 0 40 DDAB CC(C)c1noc(CCCC(=O)N[C@H]2CCc3nccn3C2)n1 97197891 XXTTUQMLUFLQAE-LBPRGKRZSA-N 317.393 1.843 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2cccnc2N(C)C)c1C 97164901 FGKFZMDGBCPLJM-UHFFFAOYSA-N 323.422 1.782 0 40 DDAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCn2ccnc2C1 97201454 KIPNVEVHLWHGAH-SNVBAGLBSA-N 305.769 1.774 0 40 DDAB O=c1c2ccccc2nnn1Cc1nnc(Cc2ccccc2)o1 84544508 OYPBDKOHWCLZKZ-UHFFFAOYSA-N 319.324 1.814 0 40 DDAB CC(C)N(C)C(=O)CC1CCN(Cc2cc(=O)c(O)co2)CC1 95398994 XOCODKRYDLHGHW-UHFFFAOYSA-N 322.405 1.814 0 40 DDAB c1ccc(Cn2ccnc2CNCCc2nnc3n2CCC3)cc1 95397391 WZMVFQMIPUALPM-UHFFFAOYSA-N 322.416 1.801 0 40 DDAB O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1C(=O)O 95399986 NAAMMCVMDYTXQH-NWDGAFQWSA-N 306.318 1.897 0 40 DDAB O=C(CSc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 79018908 PSBVGMODCXITMS-HNNXBMFYSA-N 320.458 1.959 0 40 DDAB CCOc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 84807931 HTKOWKGFXQJKAR-MRXNPFEDSA-N 320.433 1.908 0 40 DDAB Cc1cc(C)n(C2CN(C[C@@H](O)COCc3cccs3)C2)n1 89593982 PCFQIDSVJPFCQM-OAHLLOKOSA-N 321.446 1.996 0 40 DDAB Cc1ccc(C(=O)NCc2nc(Cc3ccccc3)no2)c(=O)[nH]1 75124343 SKRZPDPYYQDARS-UHFFFAOYSA-N 324.340 1.587 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNCc2cnn(C)c2)ncn1 75128742 SFTKJUFTGDJYFO-CYBMUJFWSA-N 301.398 1.010 0 40 DDAB Cn1nc2c(cc1=O)CN(c1nnc(C(C)(C)C)s1)CC2 89761560 AKTAANKFRLGAKZ-UHFFFAOYSA-N 305.407 1.492 0 40 DDAB C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cn(C)cn1 89895863 VTYPZIVNXWTIQK-NSHDSACASA-N 301.412 1.124 0 40 DDAB COc1cccc(Cn2cc(NC(=O)c3ccn(C)n3)cn2)c1 28239343 IEGMDOVDKPZPCW-UHFFFAOYSA-N 311.345 1.926 0 40 DDAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1ccccc1C(F)(F)F 62712244 LUUWJEDWSBCBIH-UWVGGRQHSA-N 319.304 1.933 0 40 DDAB CN(C)c1ncc(-c2cc(C(=O)N3CCOCC3)n(C)c2)cn1 63527527 FNJDFSBWJFLVCW-UHFFFAOYSA-N 315.377 1.021 0 40 DDAB O=C([C@H]1CCc2cccc(O)c21)N1CCN(c2cnccn2)CC1 553271510 XVTSJHONVTYUMJ-AWEZNQCLSA-N 324.384 1.561 0 40 DDAB CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCC1 36720859 VBJQGSMBRAOQNY-UHFFFAOYSA-N 312.391 1.672 0 40 DDAB Nc1ccc(C(=O)OCCOC(=O)c2ccc(N)cc2)cc1 34155969 VTDXHXOFPBQISQ-UHFFFAOYSA-N 300.314 1.865 0 40 DDAB CCN(CC(=O)N1CC[C@H](C(N)=O)C1)Cc1ccc(Cl)cc1 78929270 OHLGEUFJFVRCKQ-ZDUSSCGKSA-N 323.824 1.496 0 40 DDAB CC(C)N(Cc1cnn(C)c1)[C@H]1CCN(CC(F)(F)F)C1=O 78776865 HZOZYRXFLAJPQG-LBPRGKRZSA-N 318.343 1.794 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@]3(CO)CCOC3)[nH]n2)cc1C 189088445 SYKVQQUOLOMMOG-KRWDZBQOSA-N 315.373 1.575 0 40 DDAB CC(C)(C)OC(=O)N(C1CCC(NC(=O)CN)CC1)C1CC1 79409413 RBNRXKZRLCSYSL-UHFFFAOYSA-N 311.426 1.772 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@]1(O)CCCc2ccccc21 75213190 UHAZSZYZIIVSEI-SFHVURJKSA-N 313.401 1.991 0 40 DDAB Cc1cnn(CCC(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1 73118395 FQVUUADXEISQGG-CYBMUJFWSA-N 321.450 1.217 0 40 DDAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223562117 RKNVWRHBDGIYHF-KGLIPLIRSA-N 303.387 1.948 0 40 DDAB O=C(COCc1ccccc1)NCC1(O)Cc2ccccc2C1 225715746 BZYPGTRAJPOVJR-UHFFFAOYSA-N 311.381 1.849 0 40 DDAB Cn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1 41502027 HKFMLSDNBORXAH-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB C[C@@H]1CN(Cc2nnc(-c3cc4ccccn4n3)o2)C[C@@H](C)O1 40714575 JRZURMSVLGZKJG-VXGBXAGGSA-N 313.361 1.994 0 40 DDAB COc1ccc(-c2cc(C(=O)NCC3(CO)CC3)no2)cc1 223222372 ZGCLFILGNIGDTP-UHFFFAOYSA-N 302.330 1.853 0 40 DDAB CN(CCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)C1CC1 195538812 MBFANLYDDRMJBO-HUUCEWRRSA-N 321.421 1.971 0 40 DDAB CC(C)c1nnc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)s1 528522998 XHQVWCLKWGZCFW-WDEREUQCSA-N 315.464 1.813 0 40 DDAB C[C@H]1OCC[C@H]1S(=O)(=O)NCCc1cc(F)c(F)c(F)c1 195574581 DUXDWJLBHCLDJB-PRHODGIISA-N 323.336 1.743 0 40 DDAB O=c1cc(C2CCC2)ncn1Cc1cc(=O)n2ccccc2n1 89703708 FUADFKRGZNTRAM-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB CCc1ccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3CCOC)cc1 96081194 PXBPXIOZQPGIMR-JKSUJKDBSA-N 316.401 1.711 0 40 DDAB Cn1cc(C(=O)N2CCN(c3nncc4ccccc34)CC2)cn1 96443705 UJSSGDRBCZGNDX-UHFFFAOYSA-N 322.372 1.326 0 40 DDAB CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 96076245 LSXISEZYYZNQQS-QGZVFWFLSA-N 320.437 1.383 0 40 DDAB COc1ccc(CN2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)cc1 96200566 SCIRIHXLAPNEKC-IRXDYDNUSA-N 301.390 1.607 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccoc3)C[C@H]2C1 96053926 VFUHWXOBTZSLBS-STQMWFEESA-N 303.387 1.940 0 40 DDAB COC[C@H]1CN(C(=O)Cc2cccs2)Cc2cn(C)nc21 96197974 KVSPMKKHBWXNPD-GFCCVEGCSA-N 305.403 1.797 0 40 DDAB O=C(CC1CC1)N1C[C@@H]2CCN(c3cncnc3)C(=O)[C@H]2C1 96082106 HWLCXMZNNSKTKC-JSGCOSHPSA-N 300.362 1.088 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)N2CCOCC2)[C@H]1Cc1ccccc1 96087477 RQGRQXNBRAKVEG-SJORKVTESA-N 317.433 1.686 0 40 DDAB c1coc(CN2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)c1 96249662 HSTOIEOXROIXEO-CRAIPNDOSA-N 320.433 1.981 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)Cc1cccc(F)c1)C2 248090512 CCZUBPFDGKWPIG-OAHLLOKOSA-N 320.408 1.937 0 40 DDAB CC1(c2ncc(C(N)=O)s2)CCN(Cc2cnccn2)CC1 257324145 WNJKAIYVLBHTTJ-UHFFFAOYSA-N 317.418 1.586 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCc2ccccn2)c1 257246728 IVOIMTQSHOFMTK-UHFFFAOYSA-N 307.357 1.656 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cccs3)CCO2)n1 257253622 JZPOWZDWDUDCLM-LLVKDONJSA-N 305.359 1.766 0 40 DDAB COCC(=O)N1CC2(C[C@H](OCc3cnccc3C)CCO2)C1 575402905 DMBVDTWBWPBMTM-OAHLLOKOSA-N 320.389 1.313 0 40 DDAB CO[C@@H]1CCN(C(=O)CCC(=O)O)C[C@H]1Cc1ccccc1 585268830 ANJSLVSGATXWSL-HUUCEWRRSA-N 305.374 1.957 0 40 DDAB O=C(c1cc2occc2s1)N1CCN(Cc2nc[nH]n2)CC1 585090601 WUDAZTFURULBSB-UHFFFAOYSA-N 317.374 1.570 0 40 DDAB COc1cc(CNC(=O)NC[C@H](O)c2ccccc2)ccn1 47680923 WSEKEUJKAUGHAW-AWEZNQCLSA-N 301.346 1.623 0 40 DDAB CCn1cnnc1CNC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 49208276 LSBNCZURDRQLHJ-ZIAGYGMSSA-N 322.457 1.465 0 40 DDAB Cc1c(CC(=O)N2CCOC[C@@H]2C)nnn1-c1ccccc1 57168875 CLVDGBOYTBJLTI-LBPRGKRZSA-N 300.362 1.366 0 40 DDAB CNC(=O)COc1ccc(CNC2CCC(O)CC2)cc1OC 67182641 VRJGOCINSHKMQV-UHFFFAOYSA-N 322.405 1.213 0 40 DDAB CO[C@H](C(=O)N[C@H](C)C(=O)NC1CCCC1)c1ccccc1 69588324 MJHIWYLGHZFSOQ-DOMZBBRYSA-N 304.390 1.938 0 40 DDAB CCOCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 72294356 OMOZYTMVPNJRJU-UHFFFAOYSA-N 305.313 1.654 0 40 DDAB CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 72306188 HIPDMDWGPXSNRD-INIZCTEOSA-N 319.405 1.810 0 40 DDAB O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1 158989 PXSCVKHWCURNQB-UHFFFAOYSA-N 304.309 1.865 0 40 DDAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cnccn3)cc2n1 12337008 DXZJKMMBWHLQTJ-CYBMUJFWSA-N 324.344 1.511 0 40 DDAB COc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14258520 QSKXSFFNWOELLM-UHFFFAOYSA-N 313.313 1.882 0 40 DDAB O=C(OCc1cc(=O)n2nc(C3CC3)sc2n1)c1ccco1 15734099 LENGMBCCXAFIOV-UHFFFAOYSA-N 317.326 1.978 0 40 DDAB c1ccc(CCN2CCC[C@H](c3nnc4n3CCNC4)C2)cc1 19710963 MIIGFNIQQMMXNJ-INIZCTEOSA-N 311.433 1.803 0 40 DDAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)[C@@H]1CCOC1 575612318 LIYUGASPOQVCEJ-RDTXWAMCSA-N 319.401 1.454 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CS2 3437316 LKCICQIOJFQHRY-BMIGLBTASA-N 320.370 1.808 0 40 DDAB NC(=O)c1cc(OC2CN(c3cnc4ccccc4n3)C2)ccn1 1889186286 AFQVOQJTMBAQJG-UHFFFAOYSA-N 321.340 1.391 0 40 DDAB CCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708625 TWVUPFWETUFBOX-UHFFFAOYSA-N 304.350 1.748 0 40 DDAB Cc1cccc(Cn2c(=O)c3c(nc4[nH]c(C)cn43)n(C)c2=O)c1 10233744 WUIGJDZYNLVNFS-UHFFFAOYSA-N 323.356 1.341 0 40 DDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(C(=O)C3CC3)C2)C1 2055839517 AGTZGZOBMYSMQK-RHSMWYFYSA-N 316.405 1.473 0 40 DDAB CCCc1nnsc1C(=O)N1CC[C@@H](Oc2cccnn2)C1 225413624 RDKXVJKFBIMNNZ-SNVBAGLBSA-N 319.390 1.574 0 40 DDAB CCOCC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001818 BOGOEPBAFGSWMA-AATRIKPKSA-N 320.389 1.684 0 40 DDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N[C@@H]1CCN(C)C1=O 96415309 HNJOMKUOFANBJB-TVQRCGJNSA-N 311.332 1.426 0 40 DDAB O=C(O)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20201041 ZRTLHIYSXAKRER-SNVBAGLBSA-N 324.764 1.674 0 40 DDAB O=C(NC1CCCC1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32069909 JNFDVOXRKCKYNW-LBPRGKRZSA-N 314.393 1.400 0 40 DDAB C[C@H]1CN(C)c2ccccc2N(C(=O)C2=NN(C)C(=O)CC2)C1 89941209 RRAHACGANDQPKW-LBPRGKRZSA-N 314.389 1.714 0 40 DDAB CN(C)c1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cn1 46176963 NHHFHGBTCPQBQX-UHFFFAOYSA-N 314.389 1.699 0 40 DDAB C[C@H](CNC(=O)c1ccc(N)cc1)NC(=O)c1ccc(N)cc1 3207496 WTGVPDIDMMMCKK-LLVKDONJSA-N 312.373 1.399 0 40 DDAB O=C(/N=c1/sccn1Cc1ccccc1)[C@@H]1COCCO1 102395198 CTZHHCHVYYFTHZ-ZGTROFRASA-N 304.371 1.441 0 40 DDAB CCOc1ccc(-n2nnc(C(=O)OC)c2C(=O)OC)cc1 4315791 XZGKUMVVJNVQEL-UHFFFAOYSA-N 305.290 1.239 0 40 DDAB COCCNC(=O)CSc1nnc(C)n1-c1cccc(C)c1 4500544 RDCBDRRMAIRHAD-UHFFFAOYSA-N 320.418 1.739 0 40 DDAB C[S@](=O)Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 32865836 TUNYZYCHXBGOID-JOCHJYFZSA-N 316.382 1.916 0 40 DDAB O=C(NCCOc1ccccc1)c1cnc2ccccn2c1=O 32899918 FVLCGYKDHNTCDU-UHFFFAOYSA-N 309.325 1.503 0 40 DDAB CC(=O)Nc1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 6626273 KLHAOOACNIYYCK-UHFFFAOYSA-N 324.344 1.952 0 40 DDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(C)=O)cc1 6905563 BTHLDVVUTOZMKE-GFCCVEGCSA-N 324.406 1.374 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc(N2CCOCC2)nc1 21066361 QDCXBBQOMYPJQN-UHFFFAOYSA-N 319.390 1.584 0 40 DDAB C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@@H](C)O1 52735269 HYFCZJRVPRBHJT-IURQOMBCSA-N 318.373 1.200 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47059889 VUTKYZWYMDZLGX-ZETCQYMHSA-N 320.374 1.252 0 40 DDAB Cc1ccc(S(=O)(=O)NCC[C@H]2CCNC2)c(Cl)c1 104348839 JYKNUZHQXUZZLW-LLVKDONJSA-N 302.827 1.926 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCO[C@H](C)C1 47303898 LQJQPRJSYPKNFP-SECBINFHSA-N 304.375 1.769 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@H]2C[C@@H](CN(Cc3cccnc3)C2)C1 108803014 IWTZUCLDOSGVHK-YESZJQIVSA-N 315.417 1.398 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc(OC(F)F)c(F)c1 47713914 GZGBOHPGWHOLTP-UHFFFAOYSA-N 305.256 1.685 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1CCCN1CCCCCC1 24968673 HEPIDXHOFJARKI-UHFFFAOYSA-N 301.390 1.956 0 40 DDAB O=C(CSc1nc2ccccc2o1)NC[C@@H]1COCCO1 55845152 QAAWBIYSPRTOFG-SNVBAGLBSA-N 308.359 1.452 0 40 DDAB C[C@H]1CN(C(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 12524934 YDWDTABFQXFNCH-XQQFMLRXSA-N 320.389 1.894 0 40 DDAB CCC(C)(C)NC(=O)CNc1ccc(-n2cnnn2)c(C)c1 25701201 WJAWPNNOJJCDBL-UHFFFAOYSA-N 302.382 1.687 0 40 DDAB O=C(O)CCN1CCN(CCOc2ccccc2Cl)CC1 35126480 XTVIKDFKJWZVKD-UHFFFAOYSA-N 312.797 1.811 0 40 DDAB C[C@H](CO)NC(=O)C1=Cc2cc(Br)ccc2OC1 35205024 CHINMRSJERMZJL-MRVPVSSYSA-N 312.163 1.722 0 40 DDAB in-vitro CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1F 57355007 YAZKAUWCWKQGSZ-BBRMVZONSA-N 320.364 1.594 0 40 DDAB CC1CCN(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)CC1 108248701 NSJHZAMHYRRRRQ-UHFFFAOYSA-N 315.373 1.714 0 40 DDAB CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3ccccc32)N2CCC[C@H]12 54969059 PQRURSASPIIZFM-ZLENFMNRSA-N 300.358 1.881 0 40 DDAB Cc1cc(C)c(NC(=O)COC(=O)[C@@H]2CCC(=O)N2)c(C)c1 3240639 SVKKGSZIFWXSAT-LBPRGKRZSA-N 304.346 1.372 0 40 DDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 58169874 QXLSRBCSIRFHFZ-LBPRGKRZSA-N 323.368 1.927 0 40 DDAB CCOC(=O)CCNC(=O)c1ccn(-c2cccc(F)c2)n1 58266436 YTZWRPRYPPCKEY-UHFFFAOYSA-N 305.309 1.694 0 40 DDAB C1CO[C@H](CN(Cc2nnnn2C2CC2)C[C@@H]2CCCO2)C1 44949115 UGJRLQOZWHKGLM-KBPBESRZSA-N 307.398 1.168 0 40 DDAB CN1N=C(C(=O)Nc2ccn(Cc3ccccc3)n2)CCC1=O 44970261 ODYAQAVLFMPDGY-UHFFFAOYSA-N 311.345 1.478 0 40 DDAB CC(C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 58331243 UCYDDZKMBOFUDV-UHFFFAOYSA-N 323.824 1.761 0 40 DDAB Cn1cc(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 58431046 ANRDQNVOAFPMDQ-VHSXEESVSA-N 303.284 1.840 0 40 DDAB COC(=O)NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F 2333334 GIQGVOKEJGPYJJ-UHFFFAOYSA-N 308.178 1.786 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(C2CCCC2)C1 48332491 JQRLXGXQPRWSKU-ZDUSSCGKSA-N 301.390 1.531 0 40 DDAB COC[C@@H](C)NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69536276 QQLNVHLHDNMOEG-ZIAGYGMSSA-N 321.421 1.856 0 40 DDAB C[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1nc(C2CC2)no1 69511550 UFFDBCISTWLMAM-NEPJUHHUSA-N 308.426 1.690 0 40 DDAB COc1ccc(C(=O)CCCC(=O)N2CCC[C@@H]2C(N)=O)cc1 69670083 UDBKLTHGTJCCDS-CQSZACIVSA-N 318.373 1.525 0 40 DDAB Cc1ccc(C(=O)CSc2nnc3nc(O)c(C)nn23)cc1 4251376 LOQHQIPDRIECPS-UHFFFAOYSA-N 315.358 1.817 0 40 DDAB CN(C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 408680916 TVXLKSVSHDMLHW-UHFFFAOYSA-N 318.826 1.974 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 4308779 MPRGGKQHJZRWGU-MLGOLLRUSA-N 309.410 1.649 0 40 DDAB COCCN1CCN(Cc2noc(-c3ccc(C)cc3)n2)CC1 69972459 ZXXVPNXVCKWPRY-UHFFFAOYSA-N 316.405 1.809 0 40 DDAB CN(CC(=O)N1CCNC(=O)C1)Cc1csc2ccccc12 65520368 YXLBAHUDSSSBOT-UHFFFAOYSA-N 317.414 1.292 0 40 DDAB Cc1csc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 14234969 IBBABMOZFFJQQE-QWRGUYRKSA-N 319.386 1.731 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1 14221016 PNXMFHCCCIRRCE-IINYFYTJSA-N 312.391 1.491 0 40 DDAB CC(C)(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 6615179 QSDXQMDDSHNRLV-UHFFFAOYSA-N 303.337 1.964 0 40 DDAB COCCN1C[C@H](NC2CCC3(CCNCC3)CC2)CC1=O 67805503 OYAUJPNSQJOCRV-OAHLLOKOSA-N 309.454 1.136 0 40 DDAB Cc1nnc(SCC(=O)NC(=O)NC(C)(C)C)n1C1CC1 7617500 MDARTEWSBCLXJL-UHFFFAOYSA-N 311.411 1.638 0 40 DDAB C[C@H](NC(=O)N(CCO)C1CC1)[C@H]1CCCN(C2CCC2)C1 96004696 VYIYFUJOHCZFBF-KBPBESRZSA-N 309.454 1.806 0 40 DDAB Cc1ccsc1CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C 96413087 UDOQQMPTKGBJQP-MNOVXSKESA-N 316.448 1.774 0 40 DDAB CC[C@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@H](C)O1 96447220 BRRMUZJKUYWDQS-JSGCOSHPSA-N 309.414 1.476 0 40 DDAB COc1ccc(OC)c([C@H](O)CN2CC(n3cccn3)C2)c1 71877094 MOKOAOJNIDRFFG-OAHLLOKOSA-N 303.362 1.491 0 40 DDAB Cc1cc(F)c(S(=O)(=O)NCCCCC(N)=O)cc1F 97081412 JWPWHQFBIRFCJK-UHFFFAOYSA-N 306.334 1.207 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)[C@@H](O)c1ccccc1 97079852 CHCJCERUSVZLNN-AWEZNQCLSA-N 300.362 1.235 0 40 DDAB COc1ccc(Cn2cc(C(=O)NC(C)(C)CO)cn2)cc1 97047439 KAGFRWNGHWTIGN-UHFFFAOYSA-N 303.362 1.441 0 40 DDAB CCN(C(=O)C[S@](=O)Cc1cn2c(C)cccc2n1)C1CC1 97083715 XJGJUQHPFVHVFG-QFIPXVFZSA-N 319.430 1.902 0 40 DDAB Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(-c2nccn2C)c1 87143511 YVTNQXJQXDYAAO-UHFFFAOYSA-N 323.356 1.777 0 40 DDAB CN(C)c1ccnc(C(=O)N(CCC(N)=O)c2ccccc2)c1 97104153 GXCICNVNILUDIJ-UHFFFAOYSA-N 312.373 1.670 0 40 DDAB CN(C)c1ccnc(C(=O)Nc2ccc(-n3ccnn3)cc2)c1 97104142 ZNAIHIIMRSEDKP-UHFFFAOYSA-N 308.345 1.981 0 40 DDAB Cc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2cccc(C)c2)cc1 409063626 AHTNMATUCQKXPB-HZPDHXFCSA-N 309.369 1.778 0 40 DDAB CCS(=O)(=O)CC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 76513979 JLZASYQFKDAMPH-ZDUSSCGKSA-N 313.394 1.651 0 40 DDAB C[C@@H](C(=O)Nc1cnc(C(C)(C)C)nc1)N1CCN(C)CC1 95389689 VJMAZZJNVJOKPB-LBPRGKRZSA-N 305.426 1.349 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(c2cc(NCC3CC3)ncn2)C1 95442050 GMQANACGRWVCBK-CYBMUJFWSA-N 303.410 1.603 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)CC2(O)CCCCC2)C[C@@H]1C 95434640 FSMMQDJZBGEJQL-GJZGRUSLSA-N 312.454 1.639 0 40 DDAB COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1O 95682042 WTLMSGGYGXMVQD-UHFFFAOYSA-N 314.219 1.744 0 40 DDAB CC(C)CCC(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 78996956 SIIYETLNPSKEIA-WMLDXEAASA-N 304.390 1.313 0 40 DDAB CCOC(=O)[C@@H]1C(=O)CCN(CCc2ccc(F)cc2)C1=O 85347960 QGAKSXWZSMWYJM-CQSZACIVSA-N 307.321 1.349 0 40 DDAB CCN(CC)S(=O)(=O)CCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 95987891 JIVDOSXSPLCHHY-MJBXVCDLSA-N 318.483 1.451 0 40 DDAB COc1ccc(OCCCN2C[C@@H]3OCCN(C)[C@H]3C2)cc1 79109541 XVKJSKMGUMDLCT-IRXDYDNUSA-N 306.406 1.479 0 40 DDAB CCc1nc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)no1 89290010 NJPUUARSFYFGTD-MRXNPFEDSA-N 312.329 1.526 0 40 DDAB Cc1nc(CNC(=O)N2CCC[C@H](c3nncn3C)C2)cs1 89712460 WKNJPQAYHBBADV-NSHDSACASA-N 320.422 1.669 0 40 DDAB O=C(CN1CCSC1=O)Nc1ccc(-n2ccnc2)nc1 28093815 MAMBEDDPDXVMNV-UHFFFAOYSA-N 303.347 1.375 0 40 DDAB O=C(O)[C@H]1CCCCCC[C@H]1NS(=O)(=O)N1CCCC1 547933291 SEHSQFUMMWGJHC-NWDGAFQWSA-N 304.412 1.340 0 40 DDAB Cc1nc2ccc(N[C@@H](C)C(=O)N3CCNC3=O)cc2s1 32753307 RUUIUZDPDRXRRI-QMMMGPOBSA-N 304.375 1.957 0 40 DDAB COc1c[nH]c(C(=O)NCc2nc3ccccc3n2C)cc1=O 524733342 JDHSMMRIYNCVJR-UHFFFAOYSA-N 312.329 1.200 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2nncs2)[C@@H]1c1ccccc1 36359218 NOVVCIXUWIOLTL-JQWIXIFHSA-N 302.359 1.696 0 40 DDAB COC(=O)[C@@H]1CCCN1CCc1nc2ccccc2c(=O)[nH]1 79311373 KIVVAULLXWRBLF-ZDUSSCGKSA-N 301.346 1.103 0 40 DDAB C[C@@H](O)[C@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)O 218769536 JYXRSYBIXHWGRE-WBMJQRKESA-N 315.373 1.185 0 40 DDAB Cc1noc(C)c1CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 182335516 AJMCAJZPONKYPW-CYBMUJFWSA-N 323.393 1.976 0 40 DDAB CC(C)N(C[C@@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C 79409282 MITILVWDBCYFTF-ZDUSSCGKSA-N 313.442 1.972 0 40 DDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO 72321466 MJKUKKQHFCEICS-GDBMZVCRSA-N 318.373 1.316 0 40 DDAB biogenic,in-vitro O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cc(-c2ccccc2)n[nH]1 75158415 NDKKRNHAOACLJH-GFCCVEGCSA-N 310.357 1.570 0 40 DDAB C[C@H](N)C(=O)N(C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393069 UGAGPRBRNTWQGW-GXTWGEPZSA-N 305.378 1.203 0 40 DDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217416781 DXLBZAHGFWEWEY-UHFFFAOYSA-N 316.379 1.130 0 40 DDAB O=C(O)C[C@H]1CN(c2ncnc3[nH]c4ccccc4c23)CCO1 566800353 XWEGCZDYAZUMMD-JTQLQIEISA-N 312.329 1.791 0 40 DDAB N[C@H](CN1C(=O)CCCC1=O)c1ccc(Br)cc1 228981636 VUVMEHUTSCGIFQ-LLVKDONJSA-N 311.179 1.988 0 40 DDAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1C 223570652 HCFLUFHVPMAMGY-HUUCEWRRSA-N 316.430 1.693 0 40 DDAB Cc1c(NC(=O)N[C@H]2CCc3ncnn3C2)cccc1N(C)C 133412459 DWLBIZVRAIFHEV-LBPRGKRZSA-N 314.393 1.789 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 224653793 WGBKNEZBNXBXRH-WDMOLILDSA-N 309.387 1.940 0 40 DDAB O=C(NCCN1CCSCC1)c1cnccc1C(F)(F)F 569940181 XQCYEBQCQAOUOW-UHFFFAOYSA-N 319.352 1.879 0 40 DDAB NC(=O)c1ccc(NCc2nccn2CCc2ccccc2)nn1 193471702 BQAKPWYOFHCSHS-UHFFFAOYSA-N 322.372 1.627 0 40 DDAB COc1ccc(C(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)c(C)c1 225786532 LXYOXAPPZJAICV-LBPRGKRZSA-N 313.357 1.374 0 40 DDAB C[C@H](N)C(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1 83318435 XAEXRVSTRUUJFZ-GRTSSRMGSA-N 319.405 1.687 0 40 DDAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 330602789 FQTUQMNNDRVDEY-XHVZSJERSA-N 324.343 1.453 0 40 DDAB Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)N(C)C)C2)cs1 96100501 KFWBJISNVDMVLJ-UKRRQHHQSA-N 309.435 1.521 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2c2ncccn2)N1Cc1cccnc1 96186346 QSHOVDSPCSNXFN-GJZGRUSLSA-N 309.373 1.642 0 40 DDAB O=C(c1cocn1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109065 VMBFMZHNSJFXFI-WBMJQRKESA-N 315.329 1.237 0 40 DDAB CCCO[C@@H]1CCCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1 245305043 HTHVUGIRNLHBHC-BZUAXINKSA-N 312.454 1.951 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257270257 MTJDLSBWXHWFTQ-HNNXBMFYSA-N 315.377 1.268 0 40 DDAB Cc1ncc(CN2CC3(CO[C@@H](Cc4cncnc4)C3)C2)cn1 257309108 TZOLAIKENNHCIL-INIZCTEOSA-N 311.389 1.409 0 40 DDAB CC(=O)NCc1cc([C@H]2CCCN2Cc2nccn2C)ccn1 257279097 OEZYNSRUJQFRNO-MRXNPFEDSA-N 313.405 1.788 0 40 DDAB C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1Cl 252586079 NIYDPBGKENSXOW-RYUDHWBXSA-N 321.808 1.974 0 40 DDAB O=C(COc1ccccc1Cl)N1C[C@@H](O)[C@H](N2CCCC2)C1 257264062 LSSRQGZWTHTARG-ZIAGYGMSSA-N 324.808 1.386 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)CN2CCCC2=O)ccn1 257339304 ZBEJSHYBDJXZHV-ZDUSSCGKSA-N 302.378 1.409 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](c2ccncn2)C1 257292978 QNQNTJKQIFCKDA-CQSZACIVSA-N 313.405 1.776 0 40 DDAB Cc1ncc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)cn1 257211258 BYEAXIMNHPHXPZ-NWANDNLSSA-N 324.388 1.538 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575406698 ZXLNTNVWFBVBOP-AWEZNQCLSA-N 322.430 1.721 0 40 DDAB Cn1nccc1-c1cncc(CNC(=O)NC2CCOCC2)c1 575605990 CBRIOSCXZQNGAA-UHFFFAOYSA-N 315.377 1.460 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575406350 XBRONBOGWIQUIM-ZDUSSCGKSA-N 306.366 1.121 0 40 DDAB O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)C1CCC1 575402739 GGDWHMWFTLAMTN-CYBMUJFWSA-N 320.433 1.710 0 40 DDAB CC(C)N1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 585111734 ABUDHTBBTGGRSO-HNNXBMFYSA-N 313.405 1.863 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 80190824 PTGPGDGZKVLCEQ-STQMWFEESA-N 311.813 1.989 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C12CCC2 89985977 WSBYKRLAJHAPBU-RYUDHWBXSA-N 315.377 1.510 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCN1CCC(O)(c2cccc(F)c2)CC1 12326091 FZEIAVKEDLIMGW-CZUORRHYSA-N 320.408 1.881 0 40 DDAB C[C@@H]1C[C@@H](OC(=O)C[C@@H]2Sc3ccccc3NC2=O)C(=O)O1 12696809 JALVWPNLTWZFFV-UISBYWKRSA-N 321.354 1.737 0 40 DDAB COCCNC(=S)NC1CCN(C(=O)c2ccccc2)CC1 16705111 WQCOMUZVWWBEQW-UHFFFAOYSA-N 321.446 1.402 0 40 DDAB Cc1cc2ncc(NC(=O)[C@H]3COc4ccccc4O3)cn2n1 206737255 IPWOCPFKLRMPIH-CQSZACIVSA-N 310.313 1.816 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2ccccn2)C1)c1cccnc1 166173969 NPTFODKSGRVDBX-CYBMUJFWSA-N 318.402 1.424 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](N2CCOC2=O)C1 618256425 HYFUTWQWPQFMLS-LBPRGKRZSA-N 318.329 1.011 0 40 DDAB c1nc(N2CCN(c3cnsn3)CC2)c2ccsc2n1 1889136350 YHCIQHLEUDUEGX-UHFFFAOYSA-N 304.404 1.869 0 40 DDAB Cc1csc(NC(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)n1 14032306 XAXQGNQEVXXOLG-SECBINFHSA-N 322.415 1.992 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(Cc3ncnn3C)C2)nc1 1776000822 LRHXIELJPSODRE-CYBMUJFWSA-N 302.382 1.205 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40497231 POINZQFKGCFXDI-UHFFFAOYSA-N 317.455 1.050 0 40 DDAB Cn1cnc(CN2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c1 2037849754 DSOXKKPHDZHYHM-RDJZCZTQSA-N 319.380 1.964 0 40 DDAB NC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(N)=O)cc1 191879 LGYBCDKHRCCCSM-JZJYNLBNSA-N 307.309 1.863 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)C4CCCC4)C[C@@H]3C2)ncn1 585415258 GFSUHRWUWNPFQM-GJZGRUSLSA-N 300.406 1.870 0 40 DDAB CS(=O)(=O)N1CCC(NCc2ccc(Cl)s2)CC1 30656108 OYFRRRRQYFDAHP-UHFFFAOYSA-N 308.856 1.915 0 40 DDAB CSc1ccc([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)cc1 40486293 RFDXASXFMSVKTM-LBPRGKRZSA-N 301.375 1.774 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)C[C@@H](C)O1 40481404 RUIUUEJATKNMPJ-TXEJJXNPSA-N 316.361 1.700 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 100737258 NLBPMILMRQHRGY-TUVASFSCSA-N 322.364 1.837 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccc(N3CCOCC3)nc2)no1 31651756 CIVCJCWSXZIQOK-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB Cc1nc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2nc1C 40522268 NWHXVAHEVOFMOT-CQSZACIVSA-N 312.373 1.645 0 40 DDAB CCC[C@@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 51373598 KJNDSUIEGOSOSX-RHSMWYFYSA-N 320.389 1.675 0 40 DDAB Cc1nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 20721818 IRWNXXFZGGQKRT-SNVBAGLBSA-N 310.400 1.522 0 40 DDAB CC(=O)N1CCN(c2c(NC3CCCCCC3)c(=O)c2=O)CC1 101442219 HHYFLJJBHDHDPU-UHFFFAOYSA-N 319.405 1.086 0 40 DDAB O=C(O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O 174465 JXFMIANBTKVMRF-UHFFFAOYSA-N 301.085 1.943 0 40 DDAB COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 211308 CASUGPBPSBGBIV-UHFFFAOYSA-N 303.343 1.610 0 40 DDAB CC1CCN(S(=O)(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)CC1 46035399 FEWMHJDBHLKIIR-GASCZTMLSA-N 317.499 1.531 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C[C@H](C)O1 540881 ZJOGADBZWGFYOX-OBJOEFQTSA-N 306.362 1.501 0 40 DDAB O=C(Cn1nnc2ccccc21)Nc1cccnc1-n1cccn1 32817038 DFCMLKPRSWMDHH-UHFFFAOYSA-N 319.328 1.651 0 40 DDAB Cc1nc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)nn1-c1ccc(F)cc1 32828757 OXCLNNBKLCUQKH-PRHODGIISA-N 319.292 1.576 0 40 DDAB Cc1occc1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 32831773 UUXLQDOJGDLXCX-UHFFFAOYSA-N 308.359 1.307 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)c1 41247391 QJIUMXLMQFOXNX-ZDUSSCGKSA-N 310.419 1.593 0 40 DDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccs1 102636600 PEILTWKMNPODGK-VXGBXAGGSA-N 306.387 1.540 0 40 DDAB Cc1ccnc2nc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)nn12 46492638 RYJITNJCVYPCMK-VXGBXAGGSA-N 301.350 1.216 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c(O)c1 46421257 NWYWOUGDQVFOKB-ZDUSSCGKSA-N 312.373 1.889 0 40 DDAB O=C(c1ccncn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721103 CALRMLKZCOVXBN-KKUMJFAQSA-N 303.362 1.275 0 40 DDAB Cn1c(CSc2ncnc3ccccc23)cc(=O)n(C)c1=O 8704725 HZMZADIFLBTJBH-UHFFFAOYSA-N 314.370 1.320 0 40 DDAB C[C@H]1CCCN(CCNC(=O)c2cn(C)nc2C(F)(F)F)C1 53050031 IBIBAFMNQLTHDA-JTQLQIEISA-N 318.343 1.901 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccnc2S)C1 53550432 YJDONQCYWWFRKI-SNVBAGLBSA-N 309.391 1.721 0 40 DDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCc1ccco1 8992036 GJDPHLKZTLLLPW-UHFFFAOYSA-N 306.713 1.328 0 40 DDAB COc1ccc(CC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)cc1 47343358 KFCSSUIDWAQLBM-UHFFFAOYSA-N 309.329 1.478 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CN(C)c2ncnc3[nH]cnc23)C1 47403205 YIYYAIAMSHBKSG-PHIMTYICSA-N 302.382 1.294 0 40 DDAB COCC(=O)Nc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 27978230 AZJIBEHJFFCQDG-RYUDHWBXSA-N 306.362 1.521 0 40 DDAB COc1ccnc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 47693784 QEXXBISCVCQFBP-ZDUSSCGKSA-N 302.378 1.490 0 40 DDAB COCCCNS(=O)(=O)c1ccc(-c2cnns2)s1 3104632 BQVPGXURJSRHDH-UHFFFAOYSA-N 319.433 1.581 0 40 DDAB NC(=O)c1ccccc1NCC(=O)NCCCc1ccccc1 24225362 IOAITJFHAYGZEI-UHFFFAOYSA-N 311.385 1.946 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C12CCC2 89985972 WSBYKRLAJHAPBU-NWDGAFQWSA-N 315.377 1.510 0 40 DDAB CCN1C(=O)C[C@@H](N2CCO[C@H](c3ccc(F)cc3)C2)C1=O 55120955 CYNAWULLVAAYDX-KGLIPLIRSA-N 306.337 1.346 0 40 DDAB CCN(C)c1ccccc1NC(=O)N1CCN(CCO)CC1 89960897 YGAHVMUBEALACT-UHFFFAOYSA-N 306.410 1.285 0 40 DDAB O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)OCc1ccccc1 55422109 PHSWZWFASXLWPK-MRXNPFEDSA-N 316.401 1.863 0 40 DDAB CCCCSCCOC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 104161983 XBNKGOUYKZYJBP-BJDJZHNGSA-N 302.392 1.941 0 40 DDAB CNC(=O)COC(=O)c1ccc(I)cc1 3292346 ALCOSGIDDQREBM-UHFFFAOYSA-N 319.098 1.194 0 40 DDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C)nn(C)c1C 12631017 LISAWXKVDCSLGN-UHFFFAOYSA-N 323.374 1.844 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C(N)=O 26744942 BWULOSQLFTYWQQ-SNVBAGLBSA-N 312.391 1.215 0 40 DDAB CS(=O)(=O)N1CCC(Nc2ncnc3ccccc23)CC1 25251989 GLQHPPVWVITMLU-UHFFFAOYSA-N 306.391 1.466 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 69568590 QQBMQGFQBFOALY-MNOVXSKESA-N 307.419 1.546 0 40 DDAB CC1CCN([C@H](C)CNC(=O)CCNc2ncccn2)CC1 58283488 COIJYOWFHWNBGY-CQSZACIVSA-N 305.426 1.515 0 40 DDAB Cc1cc2n(n1)C[C@H](CNC[C@H](CO)Cc1ccccc1)CN2 58329505 XLBCXJRCWRQPLY-IAGOWNOFSA-N 314.433 1.674 0 40 DDAB Cc1cc(C)n2nc(C(=O)N(C[C@H]3CCOC3)C3CC3)nc2n1 48228235 DBOSBAQSUVDSAX-GFCCVEGCSA-N 315.377 1.382 0 40 DDAB Cn1cc([C@H](C(=O)O)N2CCOCC2)c2cc(C(=O)O)ccc21 36364865 OISZTUGANWABRW-CQSZACIVSA-N 318.329 1.334 0 40 DDAB NS(=O)(=O)N1CCc2ccc(NC(=O)CC(F)(F)F)cc21 62267097 OARCZRRIBIHUDJ-UHFFFAOYSA-N 323.296 1.144 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1Cc2ccccc2O1 48367392 SOUFVBTUUBOUDL-HIFRSBDPSA-N 319.405 1.010 0 40 DDAB CCCCn1nnnc1Cn1c([C@H](C)O)nc2ccccc21 48303350 CWBYLBLUHVWXNI-NSHDSACASA-N 300.366 1.925 0 40 DDAB C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(N)=O 3432870 AVUXSVGNAKKFRR-ZETCQYMHSA-N 323.443 1.840 0 40 DDAB CCOc1ccccc1N1CCN(C(=O)c2cnccn2)CC1 8290992 RVNFXFXISISUFV-UHFFFAOYSA-N 312.373 1.838 0 40 DDAB Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1-n1nnnc1C 69459113 ZQMWOJZNSKMQIH-UHFFFAOYSA-N 310.317 1.220 0 40 DDAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCNc1ncccn1 69416743 KUFGAUHLQMAYIC-LLVKDONJSA-N 324.381 1.735 0 40 DDAB CC[C@](C)(NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)OC 69416780 ISFIKWRUIXJDEQ-XPTSAGLGSA-N 312.391 1.324 0 40 DDAB C[C@@H](CCNC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1 69442765 NQDQDVVGAUXWIY-AWEZNQCLSA-N 324.446 1.027 0 40 DDAB CCN(CC)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 5127287 INANEMJFYILECN-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 5297513 KKOVEKOYDFHKKJ-IHRRRGAJSA-N 317.341 1.563 0 40 DDAB O=S(=O)(Nc1ncn(Cc2cccnc2)n1)c1cccs1 69565525 DNNBMRIXVTYPDO-UHFFFAOYSA-N 321.387 1.584 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@H](O)c1cccc(F)c1 65627061 ULQIHOUWMMPACA-AWEZNQCLSA-N 306.341 1.445 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N1CCC(Nc2ccc(C)cc2)CC1 65608223 YDYLHZIRJPSBMN-ZDUSSCGKSA-N 318.421 1.715 0 40 DDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)c2cc[nH]n2)CC1 69626715 JSOFCRIBHDRTER-UHFFFAOYSA-N 322.800 1.145 0 40 DDAB COC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 6637518 ZMSWDGBWYXLBLB-UHFFFAOYSA-N 324.336 1.655 0 40 DDAB Cc1nc2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2s1 6789712 YGLJBQNJOYXCHC-UHFFFAOYSA-N 300.343 1.951 0 40 DDAB CCOC(=O)[C@H]1CCCN(c2cc(=O)n3ccccc3n2)C1 6962376 BLDPBIAVLJSCGN-LBPRGKRZSA-N 301.346 1.474 0 40 DDAB COc1ccc(C)cc1CC(=O)NCc1nnc2ccccn12 9217521 VFEVBAFZWSZXAQ-UHFFFAOYSA-N 310.357 1.905 0 40 DDAB CCCN(CC(=O)NC)S(=O)(=O)c1ccc2ncccc2c1 72294553 PRYXCAYAASDLNA-UHFFFAOYSA-N 321.402 1.382 0 40 DDAB Cc1cnn(C[C@@H](C)NCc2csc(CC(=O)N(C)C)n2)c1 72267513 JCMCABWEPWOYNO-GFCCVEGCSA-N 321.450 1.457 0 40 DDAB CCN1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)c1ccc(C)o1 78941600 ZKJFVSISXWAVGF-PBHICJAKSA-N 323.437 1.969 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cccc(C(N)=O)c1 71880437 XSDCCDFYTVVQER-SJORKVTESA-N 315.417 1.761 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 71910158 RZBKWCXEQRJKKU-GFCCVEGCSA-N 303.341 1.651 0 40 DDAB Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 9690137 QUQFJBAIIPZKDQ-KRWDZBQOSA-N 315.373 1.962 0 40 DDAB O=S1(=O)N=C(NCc2ccccc2)[C@@H](c2ccccc2)N1 9691678 YGEPOTOTEDBIIZ-CQSZACIVSA-N 301.371 1.764 0 40 DDAB Cn1cccc(NC(=O)NC[C@@](C)(O)c2ccsc2)c1=O 72303942 DZPSLIYBUYVDDY-CQSZACIVSA-N 307.375 1.476 0 40 DDAB CC(C)c1noc(CCNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1 97378850 XZEMDMMMOZQGML-STQMWFEESA-N 322.409 1.992 0 40 DDAB Cc1c(N[C@@H]2CCN(C)C2=O)c(=O)n(-c2ccccc2)n1C 95397873 HGXCQDUDEDDOLT-CYBMUJFWSA-N 300.362 1.127 0 40 DDAB CCCN1CCC(CNC(=O)N[C@@H]2CCN(C(=O)CC)C2)CC1 84755285 HGFCKDZOBDZKFP-OAHLLOKOSA-N 324.469 1.419 0 40 DDAB COCCn1cnc2ccc(NC(=O)c3ccccn3)cc2c1=O 95475906 HKZHGJXYAQCELE-UHFFFAOYSA-N 324.340 1.690 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1cccs1 95404145 MVHFSIUZKBKHKR-NXEZZACHSA-N 302.421 1.131 0 40 DDAB CO[C@@H](CNC(=O)c1ccc(C)n(C)c1=O)c1ccccc1 95953866 ZRPZPBMFEKLPRO-HNNXBMFYSA-N 300.358 1.811 0 40 DDAB COC(=O)c1[nH]nc(-c2c(C)nn(C)c2C)c1Br 66442621 KZOOIYBKMIMEMR-UHFFFAOYSA-N 313.155 1.976 0 40 DDAB CN(C)C(=O)NC[C@H]1CN(Cc2cccs2)Cc2ccnn21 306133576 MQAZHKYTICEYTG-ZDUSSCGKSA-N 319.434 1.773 0 40 DDAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccco2)cc1 20451485 ZORRWCMXAKNCCV-UHFFFAOYSA-N 309.343 1.686 0 40 DDAB C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc(-n3cccn3)cc2)[C@@H]1C 1548490352 WLTTWTJVVCOEGT-YNEHKIRRSA-N 312.373 1.610 0 40 DDAB NC(=O)C[C@@H](NC(=O)c1coc(-c2ccccc2)c1)C(=O)O 408723357 SHQZISOLVLWUIG-LLVKDONJSA-N 302.286 1.005 0 40 DDAB CC(C)NC(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408974509 ARTGRKHXXBCVLT-UHFFFAOYSA-N 310.313 1.415 0 40 DDAB Cc1nc(CC2CC2)oc1C(=O)NC[C@@]1(O)CN2CCC1CC2 552208211 GRLDCVAQWNSLDO-QGZVFWFLSA-N 319.405 1.122 0 40 DDAB CC(=O)Nc1nc(C(=O)N[C@@H]2CCn3ccnc3C2)cs1 548317764 GOLRAXSSBSNCJC-SECBINFHSA-N 305.363 1.043 0 40 DDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)N1[C@@H](C)CCC[C@H]1C 79100337 BQSMUFXGLRLKIO-RFQIPJPRSA-N 318.483 1.529 0 40 DDAB COc1cccc(N2CCN(C[C@@H]3CCS(=O)(=O)C3)CC2)c1 434538537 ABZFPJRBPBCZTN-AWEZNQCLSA-N 324.446 1.252 0 40 DDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 32971886 SIQJWSPCLHROOJ-MFKMUULPSA-N 320.393 1.410 0 40 DDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(C)C)CC2 72376483 BNKKLQMHBIPKTO-ZDUSSCGKSA-N 317.437 1.621 0 40 DDAB CC(C)(C(=O)O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 521442544 IXXRCXGPDIQQCC-UHFFFAOYSA-N 319.409 1.062 0 40 DDAB CCn1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)n1 72239550 UXNBDCYMFJEKHL-GFCCVEGCSA-N 302.334 1.626 0 40 DDAB CCN(C[C@@H]1CCN(CCN)C1)C(=O)OCc1ccccc1 79411559 PXWKDVJZKRAZMV-MRXNPFEDSA-N 305.422 1.926 0 40 DDAB COc1ccccc1OCc1nc(C)c(CC(=O)O)c(=O)[nH]1 49468701 JQCSSQZNVIZEQG-UHFFFAOYSA-N 304.302 1.293 0 40 DDAB Cc1cc(CNC(=O)C2CCCCC2)nc(N2CCOCC2)n1 224224078 SRBLLIALPHGGCR-UHFFFAOYSA-N 318.421 1.818 0 40 DDAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1cccnc1 225748957 WNVOGVUHVAFGQI-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB CCO[C@H]1C[C@@](O)(CNc2cnn(C)c(=O)c2Cl)C1(C)C 225592784 CCJGASHASROODR-IINYFYTJSA-N 315.801 1.412 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)NC(CC)CC)s1 225282443 YPCIUPWMXTXETF-UHFFFAOYSA-N 306.413 1.354 0 40 DDAB NC(=O)c1coc(CNC(=O)c2nc3ccccc3s2)n1 1584231076 XHRMVPIBROVVMK-UHFFFAOYSA-N 302.315 1.313 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCOC1)C1(N2CCOCC2)CCCC1 96449729 PITCUJGVHCDZHB-LSDHHAIUSA-N 310.438 1.563 0 40 DDAB CCn1nccc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C1 98211982 OLDXPWXTSAAOLJ-CYBMUJFWSA-N 317.393 1.512 0 40 DDAB COCCNC(=O)[C@@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 96186562 BGLZBPSUZBFQDA-IHRRRGAJSA-N 310.419 1.243 0 40 DDAB CCNS(=O)(=O)CCNC(=O)[C@@H](C)c1ccc(Cl)s1 95408478 ZDVNSQCBOFSLDK-QMMMGPOBSA-N 324.855 1.561 0 40 DDAB CN(C)S(=O)(=O)NC[C@H](O)c1cc2ccccc2s1 96483580 YSIPNJKECOBCIP-JTQLQIEISA-N 300.405 1.331 0 40 DDAB Cc1cc(CNC[C@@](C)(O)CN2CCOCC2)ccc1Cl 96500129 VWRANVISIPVGGP-MRXNPFEDSA-N 312.841 1.821 0 40 DDAB COCC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96048610 JXKYCHVXSDIQGS-KRWDZBQOSA-N 317.389 1.069 0 40 DDAB Cc1cc(COC(=O)c2cnn(C)c2)nc(N2CCCCC2)n1 96486939 KUACBGRLRDJKQV-UHFFFAOYSA-N 315.377 1.866 0 40 DDAB O=C(NC1CC1)c1nc2c(o1)CN(C(=O)c1cccc(F)c1)C2 96266038 GTXZDXRBSMNSNR-UHFFFAOYSA-N 315.304 1.862 0 40 DDAB CN1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1 96192676 ACRJWSQTOKVEGD-INIZCTEOSA-N 305.353 1.483 0 40 DDAB Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)CCc1ccncc1 237221833 GHHWLHIPVCQGHO-UHFFFAOYSA-N 324.358 1.544 0 40 DDAB CO[C@@H]1CO[C@@]2(CCN(C(=O)COc3ccccc3C)C2)C1 96107581 BCOSLGOYYOZVDN-YOEHRIQHSA-N 305.374 1.780 0 40 DDAB CC(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 247926689 IRASVFCMCTZPRL-AWEZNQCLSA-N 318.402 1.207 0 40 DDAB CCOc1ncccc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257279954 OIWSSAUCUDBQCZ-BBRMVZONSA-N 306.362 1.236 0 40 DDAB CNc1ncccc1CN1CCO[C@H](c2nc(C)cn2C)C1 257220281 DKGCEMSWNIOIAU-AWEZNQCLSA-N 301.394 1.739 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)nc(O)n1 257216055 CSXRFJACXIPFRS-DPYKFYPSSA-N 316.405 1.578 0 40 DDAB COc1ccccc1[C@H]1CN(C(=O)c2ccnn2C)CCN1C 257338752 YYVJMYYARZDIFF-OAHLLOKOSA-N 314.389 1.558 0 40 DDAB Cc1c[nH]c(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)n1 257262086 LJZMTVBNYTZMOW-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 257268020 MJXFWOFESNKAII-CYBMUJFWSA-N 301.394 1.883 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)CCCNC(=O)c1ccco1 42512526 GMGVPQCVQRQVGC-GFCCVEGCSA-N 304.350 1.191 0 40 DDAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](c3ncon3)C2)cc1 253472045 IMFKWSVLTWEHIZ-LBPRGKRZSA-N 300.318 1.658 0 40 DDAB CN(CC(=O)N1CCC[C@H]1c1ccnc(O)n1)C1CCCC1 257335555 YKRSMKSDJBFTAN-AWEZNQCLSA-N 304.394 1.720 0 40 DDAB Cc1nccc(C[C@H]2COCCN(CC3(O)CCCCC3)C2)n1 257238896 HMZQNGRWTGFGSG-MRXNPFEDSA-N 319.449 1.971 0 40 DDAB CN1CCC(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)CC1 257286162 PKNQQMJIOAWYMY-XLMAVXFVSA-N 323.481 1.116 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ocnc3C)CCO2)n1 257224020 DZYAGMKYPNTYBF-NSHDSACASA-N 304.306 1.001 0 40 DDAB CN1CC[C@@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O 585093228 JXYCLKGTGQGPOY-CQSZACIVSA-N 309.316 1.411 0 40 DDAB CNc1ncccc1C(=O)N1CCC[C@](CCC(N)=O)(OC)C1 585278164 RBYNFWDJTBZWNO-MRXNPFEDSA-N 320.393 1.010 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccccc1C 585094753 KQSHNAPPYAAQNR-HNNXBMFYSA-N 313.401 1.871 0 40 DDAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2CCF)CC1 585100819 XUCZBTBUUHLBRW-MRXNPFEDSA-N 308.401 1.737 0 40 DDAB Cn1cnc2c1C[C@H](CNc1ncccn1)N(CC1CCC1)C2 585094544 APLIZZIMPMNUDI-CQSZACIVSA-N 312.421 1.849 0 40 DDAB Cc1ccccc1C[C@]1(CO)CN(Cc2ncc[nH]2)CCO1 585277294 UAWKBFLMBNVPMZ-QGZVFWFLSA-N 301.390 1.524 0 40 DDAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 47638020 JPBHDTQKYZIJEI-SECBINFHSA-N 301.302 1.805 0 40 DDAB Cc1cnc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cn1 58311501 LCAZBDROAKWMDH-SNVBAGLBSA-N 302.300 1.399 0 40 DDAB CC(C)(CO)[C@H](O)[C@H](Oc1ccc(Cl)cc1)n1cncn1 59689252 JLTVUDQTJZNYKA-OLZOCXBDSA-N 311.769 1.889 0 40 DDAB in-vitro O=C(CNC(=O)c1ccc(NC2CC2)nc1)NCC(F)(F)F 57224249 HWVBKEOUMABHGF-UHFFFAOYSA-N 316.283 1.064 0 40 DDAB COC(=O)c1cccn1C1CCN(C(=O)c2cn[nH]c2C)CC1 69532080 JCXNQQYWLFZWDW-UHFFFAOYSA-N 316.361 1.784 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cnn3cccnc23)c1 70010548 WHOZPCXQOYQYBT-CYBMUJFWSA-N 310.361 1.539 0 40 DDAB CCCCn1nnnc1CN1CCC[C@H]1Cn1nc(C)cc1C 70018846 CUZAGXKJDKQBSC-HNNXBMFYSA-N 317.441 1.951 0 40 DDAB COc1ccc2cc(C(=O)N3CCC[C@H](CC(N)=O)C3)[nH]c2c1 72309377 KCKWVSHVEOMBDN-LLVKDONJSA-N 315.373 1.904 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)N2CCS(=O)CC2)cc1 71846992 QIZPTUASFTWDNK-NSHDSACASA-N 313.444 1.767 0 40 DDAB O=C(NCCn1ccnc1)c1ccc(-c2ccccc2)[nH]c1=O 75117474 WAHZRHGOUKBWOQ-UHFFFAOYSA-N 308.341 1.668 0 40 DDAB CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCCC1 77154906 PZYSXFUPIRVGKC-NWDGAFQWSA-N 303.424 1.011 0 40 DDAB COc1ccc([C@H](C)NC(CO)CO)c(Br)c1 97034585 JXKMFMSMQMDECH-QMMMGPOBSA-N 304.184 1.462 0 40 DDAB C[C@H](Sc1nnc(N)n1C)C(=O)NCCc1cccs1 89478724 QHMLKFRHIOVFFH-QMMMGPOBSA-N 311.436 1.298 0 40 DDAB CC(C)(C)CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C(C)(C)C)nn1 1549160458 DDNSLORQDATKDM-OUCADQQQSA-N 310.442 1.340 0 40 DDAB C[C@@H](CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)n1cncn1 12201361 PQYOLZVGTVVYPJ-BLLLJJGKSA-N 313.361 1.539 0 40 DDAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)C2CC2)on1 12337706 ZGKDBSWSRSJQBG-UHFFFAOYSA-N 315.377 1.874 0 40 DDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc(Cl)cc1 13144860 YNGMLSKSWGCPPB-MROQNXINSA-N 309.749 1.834 0 40 DDAB Cc1[nH]nc(C(F)(F)F)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960189 CZHIZGLGSAHFDL-YWIQKCBGSA-N 315.251 1.404 0 40 DDAB C[C@H]1Oc2ccc(NC(=O)[C@@H](C)n3ccnc3)cc2NC1=O 19462092 MMAMSOCZVUQDOI-NXEZZACHSA-N 300.318 1.802 0 40 DDAB C[C@H]1Cc2ccccc2N1CCNC(=O)[C@H]1CC(=O)N(C)C1 108185072 RAQHUFVCSKDQDM-JSGCOSHPSA-N 301.390 1.032 0 40 DDAB O=C(CN1CCCC1)N1CCN(Cc2ccc(Cl)cn2)CC1 554497323 OFSUUSOJENRXDU-UHFFFAOYSA-N 322.840 1.475 0 40 DDAB CC(C)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22783047 OFNDXHSVVRGXEL-INIZCTEOSA-N 307.413 1.886 0 40 DDAB O=S(=O)(N[C@H]1CCCN(c2ncc(Cl)cn2)C1)C1CC1 1889098695 SXHZFTJKCGNDCT-JTQLQIEISA-N 316.814 1.181 0 40 DDAB c1ccc(N2C[C@@H]3CCN(c4ccc5nccn5n4)[C@H]3C2)nc1 1889147521 BCWXTWXJKIRFHH-KBPBESRZSA-N 306.373 1.839 0 40 DDAB CCOc1ccc(C(=O)N2CC(Cn3ccnc3C)C2)cn1 1849046954 FJNYDDDTOGHGJL-UHFFFAOYSA-N 300.362 1.757 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(c2ccncc2)CC1 24086879 ANHPCQPUEDGMNV-UHFFFAOYSA-N 300.362 1.578 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)Oc1ccccc1C(N)=O 29944110 VOIZZHGFDWSLDR-UHFFFAOYSA-N 312.391 1.674 0 40 DDAB O=C(CCNC(=O)c1ccoc1)Nc1nnc(C2CC2)s1 30568864 NSLLTHHJNHZNSK-UHFFFAOYSA-N 306.347 1.767 0 40 DDAB COc1cnc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)nc1 2087127137 UEXCUAABEAVIBD-LBPRGKRZSA-N 306.410 1.959 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)CC[C@@H]2C1 1565552921 DHDSGAQLURBCRP-CZUORRHYSA-N 319.405 1.735 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)o1 20593447 CXYRVLDIXNURBR-UHFFFAOYSA-N 311.271 1.507 0 40 DDAB COc1ccc(C)cc1NC(=O)NCCCn1ncccc1=O 23241915 VUMRFAMUEBBKPX-UHFFFAOYSA-N 316.361 1.772 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)ncn1 1065985097 HYXCOQRUCNFTBE-BETUJISGSA-N 322.359 1.725 0 40 DDAB CN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 7991004 ZIQDKLXMTLOXTK-NSHDSACASA-N 322.162 1.529 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(-n2cncn2)nc1 31728594 OVHIQQZQWBUIDS-QMMMGPOBSA-N 315.255 1.568 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc(Cn2cncn2)cc1 32105759 WXNTVWXYHIOASA-UHFFFAOYSA-N 324.300 1.067 0 40 DDAB CC(C)COc1ccccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 101675340 HTZWYHQRGJQAGM-GFCCVEGCSA-N 315.333 1.691 0 40 DDAB COc1ccc(C(=O)N2CCN(c3nccs3)CC2)c(O)c1 21472316 HJZALBYDXWXUBF-UHFFFAOYSA-N 319.386 1.820 0 40 DDAB O=C(CC(F)(F)F)N1CCN(C(=O)c2ccccn2)CC1 52465520 MRPXZXXZHCSHOQ-UHFFFAOYSA-N 301.268 1.318 0 40 DDAB O=C(COC(=O)c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 6589806 MCMWIIOMXIQDMI-UHFFFAOYSA-N 317.326 1.713 0 40 DDAB Cc1cc(Cl)ccc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 11990880 AUTIOUSOPAPWAX-JTQLQIEISA-N 323.823 1.577 0 40 DDAB COCCn1c(=O)[nH]c(=O)c2c(-c3ccccc3C)ccnc21 10157268 KKYZGGZTAJOMST-UHFFFAOYSA-N 311.341 1.707 0 40 DDAB CCc1ccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 8262012 FWOQHVJFCCHCPG-CQSZACIVSA-N 302.374 1.461 0 40 DDAB Cc1nn(C)cc1CNC(=O)c1nc(-c2ccc(F)cc2)no1 2732927 VRYXZUVSEVCAJV-UHFFFAOYSA-N 315.308 1.848 0 40 DDAB O=C1CCC(=O)N1c1ncn(Cc2ccc(F)cc2Cl)n1 2732568 AWNIJLUFZZNNSD-UHFFFAOYSA-N 308.700 1.772 0 40 DDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\SC(=O)NC1=O 22135465 WDKUQPOSYZGRIV-PAKSIRSJSA-N 301.327 1.892 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100356767 JZKAEUGBDSBGSH-FQUUOJAGSA-N 303.314 1.678 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2coc(Br)c2)CC1 69875176 WZSRNXJTKZADJU-SECBINFHSA-N 317.183 1.181 0 40 DDAB CC(C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N(C)C 22754603 LRUBDDXKDKCGBM-ZDUSSCGKSA-N 302.378 1.239 0 40 DDAB CCN1CCN(C[C@H](O)COCC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 104492691 BMYHXPQLWZZPDW-BDXSIMOUSA-N 310.482 1.828 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C3(CC3)[C@@H]1[C@]13O[C@]21[C@@H]1CC[C@@H]3C1 104295333 XUXJNGQUNVJARC-KTNLLSJISA-N 316.353 1.607 0 40 DDAB COc1ccc(OCc2noc(CN3CCC(O)CC3)n2)cc1 28637767 RUUZGXTUGNOYMB-UHFFFAOYSA-N 319.361 1.614 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]23C[C@@H]4CC[C@]2(C(=O)[C@H]1O3)C4(C)C 102919393 NEDQAWRPFLOHDN-QLHKOYDUSA-N 320.341 1.176 0 40 DDAB CC1(C)[C@@H](C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)[C@H]1C(=O)O 106809897 VNFXCDFLBWDROW-RTXFEEFZSA-N 323.320 1.815 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)CCC3)CC1 34854147 OYILQPNEWGSQHK-UHFFFAOYSA-N 301.390 1.278 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSC[C@H](C)CO 106931841 NQRQZOLMNYGRKA-GRYCIOLGSA-N 302.440 1.753 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 107049150 UYQRNKRJODGOKY-BDXSIMOUSA-N 314.429 1.848 0 40 DDAB S=C(NCCCN1CCOCC1)Nc1cccnc1Cl 25784543 DZCFLRYRCRBVOG-UHFFFAOYSA-N 314.842 1.744 0 40 DDAB O=C(/C=C/c1cccs1)N1CCN(c2cnccn2)CC1 25832672 ILSKANJDUSUDMB-ONEGZZNKSA-N 300.387 1.900 0 40 DDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 35154682 NMOUJBQKJVTJSR-LLVKDONJSA-N 315.366 1.790 0 40 DDAB O=C(COc1ccccc1)NCCNC(=O)C[C@@H]1C=CCC1 25998119 MSZBYKKJBPCVQM-CQSZACIVSA-N 302.374 1.654 0 40 DDAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 25440292 QYWZIBSIVSQYNT-OAHLLOKOSA-N 320.370 1.401 0 40 DDAB Cn1nnn(CN2CCN(c3cccc(Cl)c3)CC2)c1=S 12533842 ZCJPHVTWAHQUGP-UHFFFAOYSA-N 324.841 1.779 0 40 DDAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(CCO)CC1 57798586 JXOZWLQSMARULZ-KRWDZBQOSA-N 319.449 1.206 0 40 DDAB CN1N=C(c2ccc3c(c2)NC(=O)CO3)C[C@@H]1c1cnn(C)c1 58174957 CKONDFVSKFQAPI-CQSZACIVSA-N 311.345 1.532 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)CNC(=O)c2ccoc2C)cc1 58245530 IARYHDBVCWACBF-HNNXBMFYSA-N 316.357 1.476 0 40 DDAB CCNC(=O)C1(NC(=O)/C=C/c2cnn(C)c2)CCCCC1 58201799 MURRYRBKWZGPLE-BQYQJAHWSA-N 304.394 1.389 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCCO1 58282461 AMOWNSWZHFVYEQ-IONNQARKSA-N 309.309 1.950 0 40 DDAB CCCc1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)[nH]n1 58291962 ZLBWVOIIICNBMB-UHFFFAOYSA-N 314.389 1.880 0 40 DDAB Cc1cc(CN(C)C(=O)NCCN2C[C@H](C)O[C@H](C)C2)no1 44967770 SCWJREFZTAMGNJ-BETUJISGSA-N 310.398 1.234 0 40 DDAB Cc1ccc(N(Cc2cc(=O)n(C)c(=O)n2C)C(C)C)cc1 58330007 YUXWNRDHPYGWLJ-UHFFFAOYSA-N 301.390 1.807 0 40 DDAB CCCN(CC(N)=O)C1CCN(C(=O)c2ccccc2)CC1 58419746 APNYJFVGQYJABF-UHFFFAOYSA-N 303.406 1.489 0 40 DDAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC)nc2)C1 28274586 DSPVCWZDGLWICU-LLVKDONJSA-N 307.350 1.897 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCc1cc[nH]n1 48261701 SBPXRLSOFGEZJB-UHFFFAOYSA-N 316.361 1.913 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccoc2)c1 48263226 BOTDRDCOLCRDJV-UHFFFAOYSA-N 323.374 1.187 0 40 DDAB O=C1O[C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cc2ccccc21 12781751 GSITWSGRLDVIEJ-CQSZACIVSA-N 323.308 1.576 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 48355661 NYEQVVWBBSTWRA-AWEZNQCLSA-N 321.421 1.590 0 40 DDAB COc1cc(CC(=O)N2CCC(CC(N)=O)CC2)ccc1C 49395778 PXJQMAQODAWSHB-UHFFFAOYSA-N 304.390 1.660 0 40 DDAB O=C(c1ccco1)N1CCN(C(=O)c2[nH]nc3c2CCC3)CC1 49679110 NFAXQLNFKICGKT-UHFFFAOYSA-N 314.345 1.090 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(OCC)cc1 5019678 QUFVNKKKKPLNBS-MDZDMXLPSA-N 321.329 1.686 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3nnsc3Cl)CCO2)c1 69452134 DBCZVCDVIRDVTG-JTQLQIEISA-N 313.814 1.597 0 40 DDAB COC(=O)C[C@@H](NC(=O)CCC(=O)O)c1cc(C)ccc1C 13943508 KAACLHDCJDQOEA-CYBMUJFWSA-N 307.346 1.889 0 40 DDAB CN1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 65439637 OZDOMNHJMDEGJC-OAHLLOKOSA-N 320.437 1.764 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CC(=O)N(c2ccccc2)C1 65464604 DSRJKXYSTOZVCB-KGLIPLIRSA-N 324.384 1.367 0 40 DDAB O=C1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CCN1 65553589 BVEJXIGRUCXKOS-UHFFFAOYSA-N 322.162 1.502 0 40 DDAB COc1ccc(-c2n[nH]cc2CNC[C@@H]2CN(C)CCO2)cc1 65624453 IMEVCHKEENDLPJ-MRXNPFEDSA-N 316.405 1.506 0 40 DDAB CC(C)[C@H](C(=O)NC1CCN(c2ncccn2)CC1)N(C)C 65609672 JQKISAQSRNAKFS-CQSZACIVSA-N 305.426 1.148 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 28577326 DIHKYKBBXHMULZ-GFCCVEGCSA-N 317.432 1.077 0 40 DDAB C[C@@H](O)CN1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 69655673 DULITBHIBCMCMA-VXGBXAGGSA-N 322.434 1.858 0 40 DDAB C[C@@H](Sc1ncnc2ccccc12)C(=O)N1CCNC1=O 8704849 DGHQQOIFVMUOEW-SECBINFHSA-N 302.359 1.662 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 71144962 UYOHBZKGOFUPQL-MRVPVSSYSA-N 308.325 1.334 0 40 DDAB CC(C)C(CNC(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1)C(C)C 1553479515 XWZGGEMULQGPGA-HUUCEWRRSA-N 321.469 1.784 0 40 DDAB COc1ccc(CNC(=O)c2ccccc2-n2nnnc2C)cc1 71284187 PUDKRZPLLUROIT-UHFFFAOYSA-N 323.356 1.909 0 40 DDAB COc1cccc(S(=O)(=O)CCN2CCN(C)C[C@@H]2C)c1 89939255 VFWXOMNTBCZXAQ-ZDUSSCGKSA-N 312.435 1.105 0 40 DDAB NC(=O)c1c(NC(=O)c2csnn2)sc2c1CCCC2 9250823 FAWIVGOKAPSJES-UHFFFAOYSA-N 308.388 1.830 0 40 DDAB CCCS(=O)(=O)CCN[C@]1(CO)C[C@@H](C)CC(C)(C)C1 89960362 OASIHACFBKNKJA-DZGCQCFKSA-N 305.484 1.978 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccccn2)no1 89937970 WEQSGZBKNPAVOF-LBPRGKRZSA-N 315.377 1.227 0 40 DDAB O=C(NCc1cccc(-n2ccnc2)c1)NC1CCC(O)CC1 72286299 JUIPRZYUAURUQD-UHFFFAOYSA-N 314.389 1.975 0 40 DDAB COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@H]1O)OCO4 71789804 YMNCVRSYJBNGLD-FGTMMUONSA-N 315.369 1.794 0 40 DDAB CC[C@@H]1CN(C(=O)CN[C@@H](C)[C@@H](C)n2cc(C)cn2)CCO1 71882194 NTYZBCKXELNEBQ-RRFJBIMHSA-N 308.426 1.368 0 40 DDAB O=C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCN1 71841792 LBJUFXNGASZSKH-INIZCTEOSA-N 315.417 1.247 0 40 DDAB CC(C)CNC(=O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 96500492 OTXBGQHOEKNNQW-GOSISDBHSA-N 314.385 1.402 0 40 DDAB COc1ccccc1-c1nn(C)cc1C(=O)NNc1ncccn1 71920799 GOKDKMNFFPBKSE-UHFFFAOYSA-N 324.344 1.643 0 40 DDAB CN(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CCCC1 97107236 VDCUWAUELABAII-MRXNPFEDSA-N 324.446 1.926 0 40 DDAB CCN(CC)c1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)cc1 72304239 LVPAYJOOVIRARH-INIZCTEOSA-N 316.405 1.730 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 76045761 MQLRYTPAWKQPMC-LLVKDONJSA-N 319.365 1.576 0 40 DDAB C[C@H]1CN=C(N2CCN(CC(=O)Nc3ccccc3)CC2)S1 84715273 XMCMCKJUVWGCBQ-ZDUSSCGKSA-N 318.446 1.734 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 88374715 VXMLRTBOXJJZRO-LBPRGKRZSA-N 313.737 1.421 0 40 DDAB CCc1nsc(N2CCN(C(=O)Nc3cccnc3)CC2)n1 95962263 YPWHBVHCGQTIFP-UHFFFAOYSA-N 318.406 1.850 0 40 DDAB CCc1noc(CC)c1CNC(=O)CCNC(=O)c1ccoc1 79070180 YSONKMNCMOKEHR-UHFFFAOYSA-N 319.361 1.829 0 40 DDAB Cc1csc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)n1 89705661 ZPDWCSCUJQRRRQ-UHFFFAOYSA-N 324.369 1.790 0 40 DDAB CN(C)Cc1cc(CC2(NCc3ccc(F)cc3)COC2)no1 67897798 RYOZBDPOYMKESG-UHFFFAOYSA-N 319.380 1.977 0 40 DDAB biogenic,in-vitro COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(C)nc1 22989379 SDVIUQAEXFKHNC-CYBMUJFWSA-N 322.361 1.251 0 40 DDAB O=C(N1CCCC1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 306127378 FXDBWYTUDWFZJI-ZDUSSCGKSA-N 318.377 1.305 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NCCc3cc[nH]n3)CC2=O)cc1 1548790899 VHRJOUHOAUMIPL-ZDUSSCGKSA-N 312.373 1.430 0 40 DDAB CN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC(=O)O)C1 79413667 ZDTWCOHNTQPTJW-CQSZACIVSA-N 306.362 1.804 0 40 DDAB O=C(NCCO)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 72391908 BRSADYYWQULETC-HXUWFJFHSA-N 324.424 1.984 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)ccc1C 73743114 SNPQPSRDUYIPEP-ZDUSSCGKSA-N 307.369 1.673 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC(n3cncn3)CC2)cc1 60296892 YICUNVOLTHOYDP-UHFFFAOYSA-N 322.390 1.313 0 40 DDAB Cc1cc(N2CCOCC2)nc2sc3c(=O)n(C)cnc3c12 71283009 LUHIGKWBIYFADS-UHFFFAOYSA-N 316.386 1.688 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 74936330 LOROYIOEPLVUEW-LLVKDONJSA-N 324.402 1.462 0 40 DDAB Cc1nc(C)c(CC(=O)N(C)Cc2sccc2C)c(=O)[nH]1 42348773 GTKXXYBHYVYCAM-UHFFFAOYSA-N 305.403 1.958 0 40 DDAB O=C(CN1CCC[C@@H](CO)C1)NCCc1c(F)cccc1F 75617399 XREBPKWQYKQXHE-GFCCVEGCSA-N 312.360 1.328 0 40 DDAB C[C@@H](C(=O)NCCCC(N)=O)c1ccc(Br)s1 79553487 AUFWSGBUDBROKB-SSDOTTSWSA-N 319.224 1.996 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218558672 FOCCYJDNKLSTBP-SOUVJXGZSA-N 315.410 1.708 0 40 DDAB Cc1cc(C)n(CCCN2Cc3nc(N(C)C)ncc3C2=O)n1 41123017 ODWPIJXEIWKILT-UHFFFAOYSA-N 314.393 1.402 0 40 DDAB CC[C@H](C)N(CC(=O)O)C(=O)Cn1nc(C)c(Cl)c1C 195544294 NEXNGICMLAGYRQ-QMMMGPOBSA-N 301.774 1.865 0 40 DDAB Cc1cc(-c2noc(CNC(=O)c3csc(C)n3)n2)no1 225811634 UBICOWVASSPNSW-UHFFFAOYSA-N 305.319 1.728 0 40 DDAB O=C([C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1)N1CCOCC1 226749883 VSFHPOGZAGPRLQ-AWEZNQCLSA-N 322.792 1.690 0 40 DDAB C[C@H](C1CC1)N(C(=O)Cn1ccnc1S(C)(=O)=O)C1CC1 96447801 ZOVUCHVFLSJOAM-SNVBAGLBSA-N 311.407 1.076 0 40 DDAB CCc1cnc(N2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)nc1 96223385 SVSGQMDSOMCDRX-HOCLYGCPSA-N 314.393 1.631 0 40 DDAB CN1CCC(CNC(=O)c2ccc[nH]2)(N2CCCCC2)CC1 96426774 MYWRMMBAIYLNTF-UHFFFAOYSA-N 304.438 1.695 0 40 DDAB COCCn1c(C(=O)NCCc2cnc[nH]2)cc2ccccc21 95479658 ATBIGTKXAMXZKU-UHFFFAOYSA-N 312.373 1.983 0 40 DDAB COCCN1CCO[C@@H]2CN(Cc3nccs3)CC[C@@H]2C1 96249600 ATALYBPDXPDUGZ-ZIAGYGMSSA-N 311.451 1.312 0 40 DDAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 96414588 IHALZIOOEBLNHX-LLVKDONJSA-N 302.309 1.679 0 40 DDAB O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@@H]21)c1ccnnc1 96065187 ROFOIEWLXHTLSO-XHSDSOJGSA-N 316.405 1.096 0 40 DDAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCNC(=O)C1 94992974 VIESVEUCKBXYKK-UHFFFAOYSA-N 318.402 1.458 0 40 DDAB C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)Cc1cccs1 96440852 WRKYEFCLOOWSRU-NSHDSACASA-N 316.448 1.367 0 40 DDAB CCOc1nc(N2CCCN(C)CC2)ncc1Br 96472149 NXKXAGQXLGFNHY-UHFFFAOYSA-N 315.215 1.780 0 40 DDAB O=C1CCCN1[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@@H]21 96057103 MWHIRRNALJODCB-UXLLHSPISA-N 304.390 1.881 0 40 DDAB CC(C)N(C)Cc1noc2c1CN(Cc1nccn1C)CC2 96084814 DCYXAGSEOKETHG-UHFFFAOYSA-N 303.410 1.807 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 50246433 BQKYVFPETUKUIC-VIFPVBQESA-N 308.325 1.675 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OC 247908735 TZFPDDXRPKOBMQ-GRDNDAEWSA-N 323.364 1.782 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H]2CCn3nccc3C2)cc1C 244986311 JPZRRHHLSYBDOO-LBPRGKRZSA-N 321.402 1.493 0 40 DDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC(C)(C)C)n1 604382379 PQPFKWUBUJPAQN-KLHDSHLOSA-N 307.438 1.321 0 40 DDAB biogenic,in-vitro Cc1cc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)nn1-c1ccccc1 257241593 HYQDOMGZXIAWJG-FVQBIDKESA-N 315.373 1.185 0 40 DDAB Cc1ccn(CCC(=O)N2CCC[C@H](c3ccnc(O)n3)C2)n1 257333263 YAWOYHKBTTVSHW-ZDUSSCGKSA-N 315.377 1.483 0 40 DDAB NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257269454 MPYYXGMBTHSMMQ-UHFFFAOYSA-N 311.389 1.885 0 40 DDAB COCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257334259 YFENXEBLBCPOHP-INIZCTEOSA-N 319.405 1.224 0 40 DDAB CO[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[C@@]12CCCO2 257221436 DOZYLGWBHQNDPG-YOEHRIQHSA-N 319.405 1.699 0 40 DDAB Cc1cc(CC[C@@H]2CN(Cc3c[nH]nc3C)CCO2)ncn1 257282350 OTKHOESSKMIWHK-MRXNPFEDSA-N 301.394 1.650 0 40 DDAB COCCC(=O)N1CC[C@@H](c2cn3nccc3c(N(C)C)n2)C1 257267245 MGNQUNYFYDYZTB-GFCCVEGCSA-N 317.393 1.148 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)ccn1 257229688 FZDPBQGFXSZYLF-ZDUSSCGKSA-N 314.393 1.814 0 40 DDAB COc1ccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 49551818 COFMNRCERIKATE-LLVKDONJSA-N 308.359 1.212 0 40 DDAB COc1cc(C(=O)O)ccc1CCNC(=O)c1cnn(C)c1 263353093 QMSXBNCBDUYPSO-UHFFFAOYSA-N 303.318 1.099 0 40 DDAB O=C(N[C@@H](c1ccccc1)c1nc[nH]n1)c1ncc(F)cc1F 390835513 OZQGVWTVHVZUAU-LBPRGKRZSA-N 315.283 1.997 0 40 DDAB CCCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585097667 MHGYMGFMEQAJBX-GFCCVEGCSA-N 318.421 1.798 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cnn(C)c1 585291534 PXEHYRWJTUDESW-WMLDXEAASA-N 320.437 1.458 0 40 DDAB COc1ccc([C@H](O)CNC(=O)Nc2cccnc2OC)cc1 48414785 SNELWACASBRPJC-CQSZACIVSA-N 317.345 1.954 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1ccc(F)cc1 54905619 VTHMBNXCMLEOQS-QWHCGFSZSA-N 300.337 1.783 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)CCCc3ccccc32)[C@H](C)CO1 69489809 JZOMRIUSLFUYLS-ZIAGYGMSSA-N 316.401 1.992 0 40 DDAB CN1CC[C@@H](N2CCN(C(=O)CC3CCCCC3)CC2)C1=O 69977576 KEPBAPSVCHEUKJ-OAHLLOKOSA-N 307.438 1.332 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 63654413 CQOJLJGRVPVJGL-MRXNPFEDSA-N 317.433 1.866 0 40 DDAB Cc1n[nH]cc1CNCc1ccc(N2CCC(CO)CC2)nc1 65543191 TUXAHVUSAOORGL-UHFFFAOYSA-N 315.421 1.612 0 40 DDAB CN1CN(C(=O)c2ccc(Br)cc2Cl)CC1=O 95464938 LGCVLMACOIIOBI-UHFFFAOYSA-N 317.570 1.974 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)C1CCCCC1 96025814 YVEJHMXPBSXBHN-CYBMUJFWSA-N 315.439 1.256 0 40 DDAB CS(=O)(=O)C1(CNCc2cccc3cn[nH]c23)CCOCC1 98018992 GAXYXIOZWYEKPU-UHFFFAOYSA-N 323.418 1.246 0 40 DDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)C1CCCC1 12114613 UGYQBVWFIYWOCF-VMZNBEPHSA-N 303.406 1.951 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(C)c2ncccc21 12117577 HCFCYEYMIWMJFE-GFCCVEGCSA-N 322.368 1.713 0 40 DDAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 16899897 ULFBAUZGGGJIEX-NSHDSACASA-N 311.334 1.754 0 40 DDAB COC1CCN(C2CN(C(=O)Cc3ccc(F)cc3)C2)CC1 575605903 NOIZFSUOGZNQAS-UHFFFAOYSA-N 306.381 1.690 0 40 DDAB Cc1cnc([C@@H]2COCCN2C(=O)CN2CCCCCC2=O)[nH]1 1848352313 YQNPZCBJKWQTKD-ZDUSSCGKSA-N 320.393 1.021 0 40 DDAB CCOC(=O)COc1c(Br)cc(CO)cc1OC 34772882 OEAJAQTVNIDKJZ-UHFFFAOYSA-N 319.151 1.892 0 40 DDAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)ccn1 1776000654 CYFVEDXZSJDNGO-CYBMUJFWSA-N 315.377 1.450 0 40 DDAB Cc1ncccc1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037978144 DGKKOYSFICVIML-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB CCc1ccc(C(=O)N2CCC3(CC2)OCC(=O)N[C@@H]3C)cn1 1614938624 OETQBFGPYZJJCD-GFCCVEGCSA-N 317.389 1.154 0 40 DDAB COCc1nsc(N2CCC(NC(=O)C(C)(C)C)CC2)n1 2087121306 AUGYUNCLTZJYBK-UHFFFAOYSA-N 312.439 1.816 0 40 DDAB O=C(Cc1ccc(F)cc1)NC[C@]1(OCCO)CCSC1 1565519652 KMBFQCVRBPVBMP-OAHLLOKOSA-N 313.394 1.369 0 40 DDAB COC1(CC(=O)N2CCc3c(CN(C)C)cncc3C2)CCC1 1565553049 IHCVJMZOTSBGOR-UHFFFAOYSA-N 317.433 1.987 0 40 DDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)CC(N(C)C)C3)n[nH]1 1565545757 NXURCHQRESRMOG-UHFFFAOYSA-N 304.394 1.559 0 40 DDAB COc1ccc(C(=O)SC2=NC(=O)C[C@H](C)N2)cc1OC 6416569 OMYNKJTVIRVSSZ-QMMMGPOBSA-N 308.359 1.842 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1 9823342 SHYMOZQFRVZTNM-MRXNPFEDSA-N 309.369 1.855 0 40 DDAB N=C(N)Sc1cn(CC(=O)N2CCOCC2)c2ccccc12 26422261 SWQJNBQEFMRNPA-UHFFFAOYSA-N 318.402 1.486 0 40 DDAB O=C([C@H]1CN(c2ncnc3[nH]ccc23)CCO1)N1CCCCC1 2086854706 VKUUQCMQSYOIDK-CYBMUJFWSA-N 315.377 1.176 0 40 DDAB O=C(Nc1ccc(Cl)cn1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 6664016 FVDWGSSFDADAGI-UHFFFAOYSA-N 316.704 1.517 0 40 DDAB O=C1OCC[C@@H]1Sc1nnc(S[C@H]2CCOC2=O)s1 40456914 VOIYXJKPZKKPLB-WDSKDSINSA-N 318.401 1.353 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(C)CC3)CC2=O)cc1 20367538 JSYQBFYHMXXHTG-CQSZACIVSA-N 301.390 1.122 0 40 DDAB O=C(Cc1csc(Cc2ccccn2)n1)N1CCOCC1 40515967 VQCXMTCJHOKLJH-UHFFFAOYSA-N 303.387 1.530 0 40 DDAB COc1ccc(CCNC(=O)Cn2nnnc2C(C)(C)C)cc1 40554250 RVOYPUSXDIYAEM-UHFFFAOYSA-N 317.393 1.338 0 40 DDAB CN(C)c1ncccc1CNC(=O)[C@H]1COc2ccccc2O1 40525130 LNIONUNPKIYNIX-OAHLLOKOSA-N 313.357 1.604 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)CCNC(=O)c1ccsc1 40534272 BJHISWOXCRTEKE-ZDUSSCGKSA-N 323.462 1.859 0 40 DDAB C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)[C@H]1CCCO1 40504376 LURLABFWNKXUPZ-BXUZGUMPSA-N 303.362 1.514 0 40 DDAB C[C@H]1c2ccsc2CCN1CC(=O)N[C@@H]1CCCCNC1=O 46054620 WWVXQEBQDWSFKC-WCQYABFASA-N 321.446 1.452 0 40 DDAB O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1 8696797 VLFCNXFHDDKLKQ-VIFPVBQESA-N 320.164 1.043 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 32784524 RUNHUIMTASVGTQ-SECBINFHSA-N 303.409 1.286 0 40 DDAB CCNC(=O)NC(=O)CSc1nncn1-c1ccccc1 3543008 KINLLTWBCUAJFB-UHFFFAOYSA-N 305.363 1.205 0 40 DDAB COc1cccc(C2(O)CCN(CC(=O)N3CCCC3)CC2)c1 4985047 DNATWNPPHNLLLC-UHFFFAOYSA-N 318.417 1.601 0 40 DDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 6880221 DSRUYGBOTTZANJ-UHFFFAOYSA-N 310.419 1.586 0 40 DDAB CCCn1nc(C(=O)N2CCc3sccc3C2)ccc1=O 21626269 IOCIZVNIVZKSEF-UHFFFAOYSA-N 303.387 1.913 0 40 DDAB COc1cc(OC)c(N2C(=O)[C@H]3CN=N[C@@H]3C2=O)cc1Cl 101630025 ABVXTTXRDHIOOP-KGFZYKRKSA-N 309.709 1.681 0 40 DDAB CC[C@@](C)(CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1 32915023 KKIOYICZBDZVIY-INIZCTEOSA-N 306.410 1.518 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)NCC[C@H]1CCCO1 29873763 YVAYKVYAHQLBGT-SECBINFHSA-N 319.404 1.382 0 40 DDAB CCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC 32999473 FYPWANMEYVTVAD-LBPRGKRZSA-N 310.419 1.683 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 56683269 WCEBZHNLSXETKK-GHMZBOCLSA-N 314.407 1.277 0 40 DDAB CCn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 2726951 QJFIRSLQRHFOGP-UHFFFAOYSA-N 304.375 1.804 0 40 DDAB CC(C)[C@H](CNC(=O)c1cccc(N(C)C)c1)N1CCOCC1 41869463 IDQTXULUQLUEOA-KRWDZBQOSA-N 319.449 1.839 0 40 DDAB CC(C)CN1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)CC1 41800822 QVTDSLPLQCVYTA-UHFFFAOYSA-N 313.401 1.942 0 40 DDAB CCN1CCCC[C@H]1C(=O)N1CCC(c2nc(C)no2)CC1 104147630 GHAVFBNQISUTAG-AWEZNQCLSA-N 306.410 1.958 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2c2ncc(F)cn2)N1Cc1cccnc1 107800147 YHJXKTKEMDPMDN-KGLIPLIRSA-N 313.336 1.391 0 40 DDAB CCN(CC(=O)N1CCNC(=O)C1)Cc1ccc(Cl)s1 24240677 UPGCQUQSEYKBAP-UHFFFAOYSA-N 315.826 1.182 0 40 DDAB CC(C)CCOCCNC(=O)Cn1ncc2ccccc2c1=O 55041873 MAKOVQOAGDODKD-UHFFFAOYSA-N 317.389 1.575 0 40 DDAB CCc1nc(N2CCN(CC)CC2)c2c(n1)c(C)nn2CC 57355588 NUNFPGJLSBKCTD-UHFFFAOYSA-N 302.426 1.859 0 40 DDAB Cc1csc(N2CCCN(C(=O)c3nccnc3N)CC2)n1 55759381 HDVJJPBOFMZMDW-UHFFFAOYSA-N 318.406 1.176 0 40 DDAB Cc1noc([C@@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)n1 106929584 MJALUOBNIRGCQS-RNCFNFMXSA-N 306.370 1.048 0 40 DDAB COC(=O)N(C)CC(=O)N(Cc1cccnc1)C[C@H]1CCCO1 55800499 SJXAESVNQFYQMS-CQSZACIVSA-N 321.377 1.287 0 40 DDAB CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NC)cc1 56158564 QPINRDAAUGORPG-VIFPVBQESA-N 308.338 1.511 0 40 DDAB COCCN[C@H](C(=O)OC)c1ccc(Br)cc1 53259223 BEHSYKZARMNMOT-NSHDSACASA-N 302.168 1.899 0 40 DDAB biogenic C[C@H](CCc1ccccc1)NC(=O)N1CCC(C(N)=O)CC1 26518487 DMQLRMKLZNLFSE-CYBMUJFWSA-N 303.406 1.915 0 40 DDAB Cc1c(C(=O)N[C@H](C(N)=O)c2ccccc2)cnn1C(C)(C)C 44405967 INVPXCWTFPLIDD-AWEZNQCLSA-N 314.389 1.903 0 40 DDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2cnccn2)CC1 27630095 UVCVUBIMDPBZNT-ZDUSSCGKSA-N 303.410 1.046 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H](C)OC[C@@H]2CCCO2)c1 70013428 UVQQVPBZOCOLJY-JYJNAYRXSA-N 321.421 1.767 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2cnccn2)CC1 11544101 RVFGZYSULVSGRG-UHFFFAOYSA-N 312.329 1.168 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1ccnc1 48353941 UKYGQUCXUQBXMD-IUODEOHRSA-N 301.346 1.618 0 40 DDAB Cc1ccccc1-n1nnnc1SCC(=O)N1CCCC1 8394726 PUCXQHBZWCZJKD-UHFFFAOYSA-N 303.391 1.685 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1 13004475 QTCKHBZUAZDVNV-UHFFFAOYSA-N 324.446 1.468 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)c1 69436925 NVMLOGCGTNEPEJ-MRXNPFEDSA-N 314.389 1.191 0 40 DDAB COC(=O)CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 13656059 MJNHTZRHVRHSHN-UHFFFAOYSA-N 317.345 1.890 0 40 DDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N(C)CC(=O)N2CCCC2)cc1 69571320 ZSXXXVVPZZUPRI-HOTGVXAUSA-N 316.401 1.880 0 40 DDAB CC(C)N(C)CC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 69979116 QAYRJWSKPDCHOL-CYBMUJFWSA-N 311.376 2.000 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCO2 5292964 UPKJOUYIEGUJAE-UHFFFAOYSA-N 316.313 1.463 0 40 DDAB C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc2c(c1)OCCO2 65440638 JFXSTAMKEJZNCI-CYBMUJFWSA-N 319.405 1.866 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 65548533 UULQRTDYOKQTDT-HUUCEWRRSA-N 316.405 1.551 0 40 DDAB CSc1ccc(Cl)c(C(=O)N[C@H](C(=O)O)[C@@H](C)O)c1 14138980 KAKTWTNMANCKIB-LDWIPMOCSA-N 303.767 1.626 0 40 DDAB CN1C(=O)[C@@]2(NC(N)=Nc3nc4ccccc4n32)c2ccccc21 22239219 GEMCBACTOOZKCZ-QGZVFWFLSA-N 318.340 1.263 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)[C@@H]3CCOC3)CC2)nn1 69774258 SCSMCFBQRNEGMX-CYBMUJFWSA-N 304.394 1.249 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@@H](Cn3cncn3)C2)no1 69738796 UPTHENIZKLCUGW-CYBMUJFWSA-N 318.381 1.315 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccn(-c2ccccc2)n1 69740050 LLXVIYPVSGSKTO-GFCCVEGCSA-N 321.402 1.425 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccc(F)cc1 8744602 YSGJKZQYFCHJRP-UHFFFAOYSA-N 318.352 1.227 0 40 DDAB C[C@@H]1CC(S(=O)(=O)N2CCC(C(=O)O)CC2)C[C@@H](C)C1 4670189 HEBMTWRHIVRPRG-QWRGUYRKSA-N 303.424 1.938 0 40 DDAB CCOc1ccc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2c1 6650203 HRODFWPYINDUQI-JTQLQIEISA-N 305.359 1.912 0 40 DDAB O=C1CCc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2N1 24538170 FIHOPVXYKJAZMH-UHFFFAOYSA-N 322.324 1.993 0 40 DDAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)N1CCCC1=O 7778436 IWYZWYNAJWOLLF-UHFFFAOYSA-N 321.304 1.481 0 40 DDAB O=C(NC1=NCCS1)c1cc(Br)ccc1O 9217224 RYENERUGTOJZNF-UHFFFAOYSA-N 301.165 1.987 0 40 DDAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N)cn2)cc1 96012726 YWHUKZDVTGWLHS-SNVBAGLBSA-N 315.329 1.856 0 40 DDAB Cc1cc(Cl)c(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1C 97080275 OOUJZQYWTINTKT-GFCCVEGCSA-N 324.808 1.934 0 40 DDAB CC(C)OCCS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 97015731 TVFWKYKEFFEXNC-CQSZACIVSA-N 314.407 1.290 0 40 DDAB Nc1nc(CN2CCCC[C@H]2Cn2cncn2)nc2ccccc12 71879628 BITNYIGKOOGXOL-ZDUSSCGKSA-N 323.404 1.858 0 40 DDAB C[C@H]1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)C[C@@H](C)O1 71846765 AABHTOCTJZIQMS-TXEJJXNPSA-N 317.345 1.139 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)c1 71866133 XKIWTGHULVINLW-CVEARBPZSA-N 320.437 1.293 0 40 DDAB Cn1nnnc1S[C@@H]1CCN(c2ccccc2Cl)C1=O 71893886 PPFVZMHZVQDGOU-SNVBAGLBSA-N 309.782 1.761 0 40 DDAB Cc1ccc(NC2CCN(C(=O)[C@H](C)n3ccnc3)CC2)nn1 71863558 VLJHQILDONXIMB-ZDUSSCGKSA-N 314.393 1.646 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)Cc1nc(N)c2ccccc2n1 97083739 YQXLRNMLLQCAMO-NSHDSACASA-N 322.434 1.467 0 40 DDAB C[C@@H](CNC(=O)NCCc1ccccc1)N1CCOC[C@@H]1C 72281189 QMVMWMKEYMLSMM-GJZGRUSLSA-N 305.422 1.638 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 75606870 MUTAKIOSIAOFAL-ZWNOBZJWSA-N 323.368 1.815 0 40 DDAB C[C@H]1CN(C(=O)NCCN2CCOCC2)[C@@H]1c1ccccc1 72302928 ZOOBSQDCBZLGPD-HOCLYGCPSA-N 303.406 1.721 0 40 DDAB Cn1cc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 76062696 RWNGNPWQHLLNNZ-UHFFFAOYSA-N 307.317 1.586 0 40 DDAB CC[C@@H]1COCCN1C(=O)Nc1cc(Br)n(C)n1 95460759 OMGNDMQYLFSOGG-MRVPVSSYSA-N 317.187 1.825 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCN1Cc1ccccc1 78875756 MYJVNAMMRLHPNZ-WBVHZDCISA-N 317.433 1.098 0 40 DDAB O=C(NCc1n[nH]c(=O)[nH]1)C1(c2cccs2)CCCCC1 85382496 RTPTYHGHCPKAMI-UHFFFAOYSA-N 306.391 1.678 0 40 DDAB Cc1nc(CN2CCN(c3nncc4ccccc34)CC2)no1 95978865 UKSCHOCMLJZGHG-UHFFFAOYSA-N 310.361 1.643 0 40 DDAB Cc1cc(CN2CCN(CC(=O)Nc3nccs3)CC2)on1 95947225 VHNWBJCQBGSXFH-UHFFFAOYSA-N 321.406 1.196 0 40 DDAB O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnn[nH]2)C1 95976987 PVXHEFWVKJKTBA-MRVPVSSYSA-N 320.284 1.267 0 40 DDAB CCc1cnc(CNC(=O)N2CCC[C@H](C(=O)NC)C2)s1 74843042 PLMZZBQVABANHR-JTQLQIEISA-N 310.423 1.373 0 40 DDAB COCCn1cc(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cn1 79096525 YSJHDJOMSBFLTH-RISCZKNCSA-N 307.398 1.134 0 40 DDAB Cc1ccccc1[C@@H](CN1CCOCC1)NCC(=O)NC(C)C 89689172 DBLMDBWHNYXMPQ-QGZVFWFLSA-N 319.449 1.483 0 40 DDAB O[C@H](COCc1ccco1)CN1CCn2c(nnc2C2CC2)C1 89797860 ZYJNQFIRNPKVQD-ZDUSSCGKSA-N 318.377 1.142 0 40 DDAB O=C(CCc1cccnc1)NC1(C(=O)NCC2CC2)CCCC1 89793957 KRJVBJIWLGBZRV-UHFFFAOYSA-N 315.417 1.969 0 40 DDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 89819076 VLQNVYAGJQDCLW-HZPDHXFCSA-N 319.449 1.332 0 40 DDAB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)n(C)c(C)cc1=O 1547208532 LLTNEIWGCIPPPG-CYBMUJFWSA-N 317.341 1.800 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccco1 41976217 RBIVDEBPMVABCJ-AAEUAGOBSA-N 305.378 1.009 0 40 DDAB O=C(N[C@H]1CCCc2c1cnn2-c1ccncc1)c1cnccn1 71195724 MTYRTHALGYHVQL-AWEZNQCLSA-N 320.356 1.865 0 40 DDAB Cn1ccnc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 72355600 LTTVEMQWFXEMHB-AWEZNQCLSA-N 323.404 1.775 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cnccn2)C1 72364373 XUPCFUYGHRXADY-LBPRGKRZSA-N 321.406 1.087 0 40 DDAB NCCN1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79391010 XDFOMUHPRAYHJH-INIZCTEOSA-N 303.406 1.821 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O 39918172 ASGXFNMOOYQPFX-OLZOCXBDSA-N 318.373 1.343 0 40 DDAB O=C1N(C2CCCCC2)C[C@H]2CN(Cc3ncc[nH]3)CCN12 77266904 DMWZSBBWTPGLBH-CQSZACIVSA-N 303.410 1.664 0 40 DDAB biogenic,in-vitro COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nncn1C)C2 32105480 QHVQXVVFLDZZOU-LBPRGKRZSA-N 305.359 1.732 0 40 DDAB Cc1c(S(=O)(=O)N2CCCn3nccc32)cnn1C(C)C 36619555 JWYODUMOOFVZOD-UHFFFAOYSA-N 309.395 1.568 0 40 DDAB NC[C@@H]1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 521394600 AEXKRSNCYUNRAS-JTQLQIEISA-N 309.801 1.151 0 40 DDAB Cc1nccc(N2CCC[C@@](C)(C(=O)N3CCOCC3)C2)n1 72381140 FCKJNQYHGBHHSW-MRXNPFEDSA-N 304.394 1.250 0 40 DDAB CC(=O)NC[C@@H]1CN(CCSCc2ccccc2)CCO1 192595535 AIKYLGKBNIDRGC-MRXNPFEDSA-N 308.447 1.757 0 40 DDAB O=C(COc1ccc(F)cc1)N1CC[C@@H](Oc2cccnn2)C1 225411410 RDIIIXPPCIBELX-CQSZACIVSA-N 317.320 1.674 0 40 DDAB C[C@@H](c1nc(COc2ccc(F)cc2)no1)S(C)(=O)=O 195576343 IJWSUVKRJQAOSQ-QMMMGPOBSA-N 300.311 1.893 0 40 DDAB Cc1nccn1CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 49461053 ZCHUHXVCQQRGKG-AWEZNQCLSA-N 312.373 1.361 0 40 DDAB OCCN(CCO)Cc1ncc(Cl)cc1Br 529633730 UJGJCZAWSGYRFS-UHFFFAOYSA-N 309.591 1.284 0 40 DDAB Cc1cccc(CC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 96454789 RKPXJMLVGQOAAJ-KRWDZBQOSA-N 302.418 1.718 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cscc2C)C1 92772536 CXSBAJBNMHKMBX-JTQLQIEISA-N 302.421 1.210 0 40 DDAB CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186445 WWNCFPJDGXYHDU-GJZGRUSLSA-N 301.390 1.345 0 40 DDAB CC(C)[C@@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCO1 333816470 IARLFMMWENCXBL-WFASDCNBSA-N 306.410 1.724 0 40 DDAB Cc1cc(C)n(C[C@H](C)NC(=O)NC[C@](C)(O)c2ccco2)n1 96439319 PSGYCOUEHCCVOR-LRDDRELGSA-N 320.393 1.688 0 40 DDAB Cn1cccc1C(=O)N[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12 96185915 KDJHDGGTQDIRRG-IIAWOOMASA-N 303.406 1.397 0 40 DDAB O=C(CN1CCC(Cn2ccnc2)CC1)NCc1ccco1 90470169 QPFUJJBIRMAXRR-UHFFFAOYSA-N 302.378 1.505 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccco2)N1Cc1cccnc1 96245893 KYWJRMCGPHQEDO-UONOGXRCSA-N 311.341 1.690 0 40 DDAB COCCC1(C(=O)Nc2c[nH]cc(Br)c2=O)CC1 95446491 DZOPUJDIIGSCAI-UHFFFAOYSA-N 315.167 1.893 0 40 DDAB Nc1nc(C(=O)N2C[C@H]3c4ccccc4[C@H](N)[C@H]3C2)cs1 96156977 LKTWOIZJJMPYMM-GVXVVHGQSA-N 300.387 1.595 0 40 DDAB O=C(Nc1cccnc1N1CCC(CO)CC1)c1cscn1 96415624 UPZYRKDGBOHQPY-UHFFFAOYSA-N 318.402 1.999 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccccc1)CC[C@H]2OC 96209436 YVKMPGBKBWXRHW-GVDBMIGSSA-N 302.418 1.797 0 40 DDAB CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H]3CCOC3)CC[C@@H]21 248028489 WTAQGHUSQUMQGU-BDXSIMOUSA-N 318.465 1.845 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1Cl 253576881 WJVOVYIIUWNACC-DVZHBHJUSA-N 319.744 1.454 0 40 DDAB CC(C)N1CCN(C(=O)CCc2ccccc2)[C@H](C(N)=O)C1 257219287 DGHXQQJYVLFHAZ-HNNXBMFYSA-N 303.406 1.026 0 40 DDAB Cc1cc(-c2ccnn2C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257240546 HUAPCLLKAGUQQN-ZDUSSCGKSA-N 321.406 1.282 0 40 DDAB CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257208348 BLUHYSLWIGGQKO-GFCCVEGCSA-N 306.391 1.296 0 40 DDAB Cn1ccnc1-c1cc(C[C@@H]2CCN(c3ncccn3)C2)ncn1 257238686 HMBKDAVLDRKWLS-ZDUSSCGKSA-N 321.388 1.736 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccccc2)n1 257210059 BSYSWGDHASNHBR-AWEZNQCLSA-N 301.346 1.697 0 40 DDAB CCn1cc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1 257314542 UXKYHFBQUBTNQX-AWEZNQCLSA-N 315.377 1.865 0 40 DDAB Cc1cc2nccc(C3CCN(C(=O)c4c[nH]cn4)CC3)n2n1 257259616 KZDNWOUKDFIVSA-UHFFFAOYSA-N 310.361 1.781 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)ccn1 257237348 HGBNVWTTXMATLL-INIZCTEOSA-N 314.389 1.967 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnccn2)C[C@H]1c1ccccc1 257305360 SPQCAQIMOXPVPV-INIZCTEOSA-N 310.357 1.522 0 40 DDAB Cc1ccc2c(CC(=O)N3C[C@@H](O)[C@H](N(C)C)C3)coc2c1 257247399 IYWOBWXFVFHUSZ-HUUCEWRRSA-N 302.374 1.417 0 40 DDAB O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CNCCO1 257198240 WYBFVLBORQSDFQ-JTQLQIEISA-N 314.267 1.509 0 40 DDAB c1cc2c(C[C@@H]3COCCN(c4ccncn4)C3)nccn2c1 257275065 NNTRNOXBQPMSGH-AWEZNQCLSA-N 309.373 1.820 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)O)CC1 262724183 RKMOWTMSFLISKW-MGPQQGTHSA-N 318.373 1.090 0 40 DDAB O=C(NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)C1CC1 575405459 IFEWUXBOCFZOEP-LBPRGKRZSA-N 306.406 1.320 0 40 DDAB CCOC[C@@H]1Cc2c(ncn2C)CN1Cc1cccnc1OC 585094889 SISYMSNCQYIMAP-AWEZNQCLSA-N 316.405 1.787 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)/C=C/c2c(C)nn(C)c2C)[C@H]1O 585289792 KBXGKIYJOSNURQ-MXGUUFQVSA-N 307.394 1.095 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCC(=O)O)C1 585275123 XOHKWXYIVITDFS-INIZCTEOSA-N 307.346 1.202 0 40 DDAB Cc1nccc(N2CC[C@](O)(COc3ccc(F)cc3)C2)n1 585274342 JFJDMZBWODRIPQ-MRXNPFEDSA-N 303.337 1.944 0 40 DDAB Cn1ncc2c(N(C[C@H]3CCCO3)C[C@H]3CCCO3)ncnc21 52314539 KTXKQLCOJVMZAU-CHWSQXEVSA-N 317.393 1.528 0 40 DDAB O=C1[C@@H](Nc2ncnc3[nH]cnc23)CCN1Cc1ccccc1 58327688 ORSHTUPNXPQRHK-LBPRGKRZSA-N 308.345 1.566 0 40 DDAB O=C(Cn1cncn1)NC[C@H]1CCCCN1Cc1ccccc1 58341529 YOJXENLPDBLHGY-MRXNPFEDSA-N 313.405 1.449 0 40 DDAB O=C1OCC[C@@H]1NCC1CCN(C[C@H](O)c2ccccc2)CC1 69518175 MOZQQTBKMDBHNQ-IRXDYDNUSA-N 318.417 1.337 0 40 DDAB CC(C)(O)CN1CCN(C(=O)CCc2ccccc2F)CC1 69807915 VRYCSBLALNOPIW-UHFFFAOYSA-N 308.397 1.673 0 40 DDAB Cc1cc(N(C)C)nc(N2CCn3c(nnc3C(C)C)C2)n1 72276466 YMZBOFKGFHTRHL-UHFFFAOYSA-N 301.398 1.586 0 40 DDAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cnccn1 70762060 QCAUZVLVLOOEPX-ZDUSSCGKSA-N 311.263 1.657 0 40 DDAB Cc1ncsc1CN1CCC[C@@H]2[C@H]1CCCCN2CC(N)=O 1615152179 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2037980768 HXSAYILDFGXOBR-GOSISDBHSA-N 318.417 1.909 0 40 DDAB CO[C@@]1(C(=O)O)CCN(S(=O)(=O)c2cccc(Cl)c2)C1 530150616 OSQASOXQWDIHCB-LBPRGKRZSA-N 319.766 1.204 0 40 DDAB Cc1nnc(CN2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)o1 2086934228 IDOVMZWCWYPSFH-TXEJJXNPSA-N 303.341 1.480 0 40 DDAB O=C(Nc1c(F)cccc1F)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585386541 DFCWPTQXRKCHTN-IUCAKERBSA-N 321.283 1.186 0 40 DDAB Cc1ccc([C@@H](O)CNS(=O)(=O)c2c(C)noc2C)o1 49026860 BLKYFEVRZANDKA-JTQLQIEISA-N 300.336 1.205 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccccc1OC 40488304 NYNVKFQJJYOTKZ-WFASDCNBSA-N 307.346 1.706 0 40 DDAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1nnc3n1CCC3)C2 40486268 LCAPWYJDMUVWHT-ZDUSSCGKSA-N 314.414 1.866 0 40 DDAB CC(C)c1noc(CN2Cc3ccccc3C[C@@H]2C(N)=O)n1 40489614 XWJRXOHZFJJBQC-CYBMUJFWSA-N 300.362 1.605 0 40 DDAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc[nH]2)NC(=O)NC1 40549109 LCZDOUUAZIDWAL-CQSZACIVSA-N 318.377 1.282 0 40 DDAB CCCn1c(NC(=O)[C@H](C)S(C)(=O)=O)nc2ccccc21 40527781 WJRAQPCJNXUYEY-JTQLQIEISA-N 309.391 1.818 0 40 DDAB O=C(O)CNC(=O)Cn1ccc2cc(Br)ccc21 32074500 LBOQYICFOSIWMN-UHFFFAOYSA-N 311.135 1.605 0 40 DDAB COc1cc(CNCC2CCN(CCO)CC2)cc(OC)c1 69415267 GJDZGXHBWFTBPA-UHFFFAOYSA-N 308.422 1.498 0 40 DDAB O=c1c(NCc2ccccc2Cl)c(N2CCOCC2)c1=O 101659365 SLWMROXIHIVDEG-UHFFFAOYSA-N 306.749 1.385 0 40 DDAB O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)[C@H](O)c1ccccc1Cl 101877591 QDOGRLUCSBZWLT-YLHIVMMESA-N 309.793 1.897 0 40 DDAB NC(=O)NCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 1666221 NPUZZGHIWQQUCC-UHFFFAOYSA-N 320.374 1.139 0 40 DDAB O=C1C=CC(=O)N1c1ccc(Cl)c(N2C(=O)C=CC2=O)c1 1681965 AXUFKGAEDKHCBU-UHFFFAOYSA-N 302.673 1.199 0 40 DDAB O=C(NCc1ccncc1)C(=O)NCc1ccc(Cl)cc1 4116488 QQMWNMBXEPWWDC-UHFFFAOYSA-N 303.749 1.668 0 40 DDAB C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)Nc1ccccc1 32808945 RRJZQQKUTNQFQL-GFCCVEGCSA-N 313.357 1.990 0 40 DDAB CCS(=O)(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 102415451 SDBNPKZUGIKTDX-NSHDSACASA-N 318.826 1.867 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCCOC[C@@H]1CCCO1 21699904 PXVSJONYGOAHLZ-LBPRGKRZSA-N 318.395 1.155 0 40 DDAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc[nH]1 21637902 PNGSNCVJLHHSOQ-LLVKDONJSA-N 316.313 1.382 0 40 DDAB CCOc1cccc2c1OCC(C(=O)N(C)CC(=O)NC)=C2 60489772 IBXHYNZQSVODGT-UHFFFAOYSA-N 304.346 1.066 0 40 DDAB CCN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 6888426 LFJJFKXFTOTDTJ-UHFFFAOYSA-N 324.450 1.008 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 101451277 ITENAFXBHSLJTK-FQUUOJAGSA-N 305.330 1.820 0 40 DDAB CCC(=O)N1CCCN(C[C@H](O)COc2ccccc2F)CC1 77410166 AKRUEIHOPBCWTR-AWEZNQCLSA-N 324.396 1.510 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccco2)n1 568982 LVEQBBJHKJZLBS-AATRIKPKSA-N 306.351 1.203 0 40 DDAB CC(=O)NCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 22757993 FQJUFNKAVYDXSP-UHFFFAOYSA-N 318.352 1.494 0 40 DDAB CN1CC[C@@H](C(=O)Nc2ncn(Cc3ccccc3)n2)CC1=O 54113884 OKACFEFXWKUUPA-CYBMUJFWSA-N 313.361 1.133 0 40 DDAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)[nH]1 23492426 HYNFWFRLTYOZGO-INIZCTEOSA-N 315.329 1.874 0 40 DDAB CS(=O)(=O)N1CCC[C@@]2(CCN(CC3CC3)C2=O)CC1 108535904 IWDPJENKTQXHSE-CQSZACIVSA-N 300.424 1.061 0 40 DDAB NC(=O)CC1CCN(C(=O)c2ccc(NC3CC3)nc2)CC1 57216966 QCTUBKAOFZEFLG-UHFFFAOYSA-N 302.378 1.384 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c2c(C)nn(C)c2n1 57553767 XVSKLLKMMGXIOS-LBPRGKRZSA-N 313.405 1.552 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1Cl 44502591 XMKVVFLQTJXWBT-JTQLQIEISA-N 318.826 1.627 0 40 DDAB C[C@H](NC(=O)NCCc1ccccc1)C(=O)NC1CCCC1 58014418 ZLCIRTQSMGPYRW-ZDUSSCGKSA-N 303.406 1.976 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C2CC2)C2CC2)C1 58064096 RGHBGAXESOIPFE-CYBMUJFWSA-N 314.451 1.353 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)C2CCCC2)CC1 44858846 FIPSCSSHDSCNIO-UHFFFAOYSA-N 316.405 1.762 0 40 DDAB Cc1nc(C(=O)Nc2nc[nH]n2)nn1-c1ccccc1Cl 58282318 HUKQJHFKIRWWDK-UHFFFAOYSA-N 303.713 1.600 0 40 DDAB COc1ccc(-c2n[nH]c(S[C@H]3CCOC3=O)n2)c(OC)c1 58214208 QDLYYAUKJPPCHM-NSHDSACASA-N 321.358 1.897 0 40 DDAB COc1cccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)c1 20156392 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C[C@@H](NCc1ccc(OCc2nccn2C)cc1)C(=O)N(C)C 48713033 GRNQMKQMQSOJAW-CYBMUJFWSA-N 316.405 1.565 0 40 DDAB COc1ccc(-c2csc3c(=O)n(CC(N)=O)cnc23)cc1 38487048 JZHHTBNDYUBENZ-UHFFFAOYSA-N 315.354 1.619 0 40 DDAB COCCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 69817368 BLFCQDGYPXMTOS-UHFFFAOYSA-N 305.378 1.999 0 40 DDAB CN1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 39263497 AFEIYDCEDWCOHZ-UHFFFAOYSA-N 303.284 1.410 0 40 DDAB C[C@H]1CN(C(=O)C(=O)Nc2cc(C(C)(C)C)on2)C[C@@H](C)O1 69928434 DZAAXWZAHVGQCI-AOOOYVTPSA-N 309.366 1.546 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@@H](c3nc(C)cs3)C2)on1 65458706 OVPKVUMGDBRIBE-LLVKDONJSA-N 322.390 1.760 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)[C@@]1(N(C)C)CCc2ccccc21 65550257 NNDAFLZSGNWILK-SCLBCKFNSA-N 317.433 1.421 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 6435974 NZKHIBOLEQEQTL-UHFFFAOYSA-N 308.721 1.722 0 40 DDAB CC[C@H](NC(N)=O)C(=O)Nc1cccc(Br)c1 14180289 STPFOJHQKFAXQW-VIFPVBQESA-N 300.156 1.835 0 40 DDAB CCn1c(CN2CCN(CCO)CC2)nc2cc(F)ccc21 65612828 NRAMPJRRJZZGMA-UHFFFAOYSA-N 306.385 1.305 0 40 DDAB CCn1c(C)cc(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)c1C 76045201 UOTXIUWCLFHXDX-AWEZNQCLSA-N 317.393 1.765 0 40 DDAB O[C@H](CN1CCN(Cc2cscn2)CC1)c1ccccc1 68333901 JAKANYQLQOHIIT-MRXNPFEDSA-N 303.431 1.994 0 40 DDAB CC(=O)NC[C@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1 68763846 XNWCXNNZJJLAAM-CYBMUJFWSA-N 315.377 1.026 0 40 DDAB CO[C@@H](C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045080 KXAQDKDSCYNDCY-ZIAGYGMSSA-N 316.361 1.401 0 40 DDAB COCCN1CCN(CCOc2ccc(OC)cc2)C[C@H]1C 70008325 XROXKFAEOUOLIE-OAHLLOKOSA-N 308.422 1.727 0 40 DDAB Cn1ccnc1CN1CCN(C[C@H](O)c2ccc(F)cc2)CC1 69373932 XAWDFSSHRXVYLA-INIZCTEOSA-N 318.396 1.410 0 40 DDAB COc1cccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)c1OC 17028464 DXFIDRCJLFPNCZ-SNVBAGLBSA-N 315.329 1.570 0 40 DDAB Cc1cnn(CCNCCOc2ccc3c(c2)CCC(=O)N3)c1 71872144 BMZAFYIIFKITRR-UHFFFAOYSA-N 314.389 1.745 0 40 DDAB NC(=O)CSCC(=O)NCCc1cccc(Cl)c1Cl 71821535 HQONFCTXENSJSS-UHFFFAOYSA-N 321.229 1.871 0 40 DDAB C[C@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1C[C@@H](C)O 71864635 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CC(C)CC[C@](C)(O)CNC1CCN(S(C)(=O)=O)CC1 95968329 VOZCGVUFNKWSOF-AWEZNQCLSA-N 306.472 1.187 0 40 DDAB CN(C(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 89335139 XAAYFRZSKWOZIE-HIFRSBDPSA-N 322.430 1.893 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC=C(C(F)(F)F)CC1 89893893 UFPNZRARNACHON-SECBINFHSA-N 312.313 1.078 0 40 DDAB O=C(c1cccs1)N1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1 63526971 SSXVPSTXPXQVKM-NEPJUHHUSA-N 316.386 1.268 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 42669657 CPCOCOZHQUYZCD-SNVBAGLBSA-N 300.355 1.020 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cccnc3)CC2)cs1 31258981 XPZKWQAZJPGHNF-UHFFFAOYSA-N 302.403 1.805 0 40 DDAB C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2cc[nH]n2)C1 517696652 GDMUAZAMCQTAKA-HNNXBMFYSA-N 312.417 1.933 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCn1ccnc1 524733613 WLUNZQMVAFKSQH-UHFFFAOYSA-N 317.397 1.027 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1 36076036 MZXBLVWCXQICRI-AWEZNQCLSA-N 321.402 1.789 0 40 DDAB Cc1cccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)c1 72260017 CGODIPYGTYVHRP-UHFFFAOYSA-N 324.384 1.907 0 40 DDAB COc1ccc(C)cc1[C@H](C)NC(=O)Cn1cccnc1=O 32714909 ZQNRSCVEOAYCCK-LBPRGKRZSA-N 301.346 1.438 0 40 DDAB CN(C(=O)CNc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 36717547 MFWRYEOAWIGWBF-SNVBAGLBSA-N 318.345 1.022 0 40 DDAB Cc1cc(C(=O)NCc2nc3ccccc3n2C)nc(N(C)C)n1 72241171 BJFMJVRPVXHERU-UHFFFAOYSA-N 324.388 1.668 0 40 DDAB Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 72355935 NZPTVRDQSOMXCB-CYBMUJFWSA-N 318.402 1.748 0 40 DDAB Cn1ncc2c(=O)[nH]c(N3CC[C@H](Nc4ccccc4)C3)nc21 78988097 ZYUUTPBQMYDPKG-LBPRGKRZSA-N 310.361 1.347 0 40 DDAB O=C(COc1ccn(-c2ccccc2)n1)N1CCC(O)CC1 226853470 HGXKHQFERMPARV-UHFFFAOYSA-N 301.346 1.234 0 40 DDAB N[C@@H](CN1C(=O)CCCC1=O)c1ccc(Br)cc1 228981621 VUVMEHUTSCGIFQ-NSHDSACASA-N 311.179 1.988 0 40 DDAB COc1cc(OC)cc(N2CC[C@H](NCc3ccc[nH]3)C2=O)c1 190776705 VWRRRVDAYZELEU-INIZCTEOSA-N 315.373 1.927 0 40 DDAB CCNC(=O)[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1 226081066 SGQDEVZKRSWMQZ-ZDUSSCGKSA-N 303.366 1.096 0 40 DDAB Cc1c(-c2nn(CC(=O)O)c(=O)o2)cnn1-c1ccccc1 40448182 SFYNTTAVUKZSKW-UHFFFAOYSA-N 300.274 1.082 0 40 DDAB Cc1ccc(NC(=S)NCCN(C)C)cc1N1CCCC1=O 225404533 AESLGGQSBRFRNJ-UHFFFAOYSA-N 320.462 1.970 0 40 DDAB CCN1CCN(C(=O)COc2nn(C)c3ccccc23)CC1 226755035 NKPFOXBPYKAHPL-UHFFFAOYSA-N 302.378 1.116 0 40 DDAB CS(=O)(=O)N[C@@H](CC(=O)NC1CC1)c1ccc(Cl)cc1 225949922 NDKARRHKZYCKAF-LBPRGKRZSA-N 316.810 1.599 0 40 DDAB Cc1nc([C@@H](NC(=O)c2ncccc2O)c2ccccc2)n[nH]1 97102450 WRNKKHQNRSXJJS-ZDUSSCGKSA-N 309.329 1.733 0 40 DDAB COc1ccc(CCc2n[nH]/c(=N\C(=O)c3ccco3)[nH]2)cc1 95478433 PTPKFWNBXFWJRC-UHFFFAOYSA-N 312.329 1.866 0 40 DDAB O=C(c1ccsc1)N1CCn2cc(Cn3cccn3)nc2C1 96197337 DZOJGZGBQFXBLR-UHFFFAOYSA-N 313.386 1.845 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccc(F)cc1 96181864 XPNBXIXGKOPZHN-GDBMZVCRSA-N 320.364 1.594 0 40 DDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1nccn1 238867152 MATPICUQLDJKMQ-UHFFFAOYSA-N 308.769 1.905 0 40 DDAB c1csc(N2CCOCC3(CCN([C@H]4CCOC4)CC3)C2)n1 96240021 WLMDXXCSSBWCOR-AWEZNQCLSA-N 323.462 1.851 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3ccoc3)[C@@H]2C1 96056697 QOZJTAGBBUYGAG-ARFHVFGLSA-N 304.390 1.785 0 40 DDAB Cc1csc(S(=O)(=O)CCCNC(=O)C2CCCC2)n1 96485833 HOZGADIKPMHQFI-UHFFFAOYSA-N 316.448 1.922 0 40 DDAB CN(C)CCN1CC[C@@]2(COCCN(Cc3ccsc3)C2)C1 96201969 KGPUGZWCBQJMAV-QGZVFWFLSA-N 323.506 1.834 0 40 DDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1C[C@@H]1CCOC1 96070192 YPMVJZHKSMBVNW-STQMWFEESA-N 318.421 1.322 0 40 DDAB CC(C)CNC(=O)[C@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192164 BXNFKAHZDRPHOP-ZDUSSCGKSA-N 306.410 1.664 0 40 DDAB COCCN1CCCC12CCN(Cc1cc(C)nn1C)CC2 96075217 YOAZVBGEOGKYJA-UHFFFAOYSA-N 306.454 1.805 0 40 DDAB O=C(c1cnn2cccnc12)N1CC[C@@]2(CCN2CC2CC2)C1 96075976 LJRPDHDXUHKXBG-QGZVFWFLSA-N 311.389 1.430 0 40 DDAB O=C(Nc1cccnc1)[C@H]1CO[C@@H]2CN(C3CCOCC3)C[C@@H]21 96219436 WEWVRURSLPUSCG-OWCLPIDISA-N 317.389 1.146 0 40 DDAB NC(=O)c1cccc(CN[C@]2(CO)COc3ccccc3C2)c1 527769122 JMFDSYJHKHZYMY-GOSISDBHSA-N 312.369 1.241 0 40 DDAB CCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O 247963365 GHFHKXNDHFOYDS-HOTGVXAUSA-N 315.417 1.370 0 40 DDAB O=C1CO[C@H]2CN(Cc3nccs3)C[C@@H]2N1c1ccccc1 257247696 JABKRHHPLSDJQA-KBPBESRZSA-N 315.398 1.759 0 40 DDAB Cc1nccn1CC(=O)N1CCCC[C@H]1c1ccn2nccc2n1 257267950 MJOZGVXSHBTGHO-HNNXBMFYSA-N 324.388 1.988 0 40 DDAB Cc1ncoc1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257290495 QDEJXFYKTXXPFU-CYBMUJFWSA-N 316.361 1.434 0 40 DDAB Nc1nccnc1[C@@H]1CN(CCOc2ccc(F)cc2)CCO1 257258686 KVCGHDJQTNHNHU-AWEZNQCLSA-N 318.352 1.650 0 40 DDAB COC(=O)CCSc1cccc(NC(=O)N2CC[C@H](O)C2)c1 270138087 KYRDDPMAJMBATM-LBPRGKRZSA-N 324.402 1.940 0 40 DDAB Cc1ccnc(NC(=O)c2ccc(OC[C@H]3CCCO3)nc2)n1 390825922 QJNBPFPTLSBUBR-CYBMUJFWSA-N 314.345 1.990 0 40 DDAB CC(C)CC(=O)N1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 575404002 KTKLCEFOWNQLST-LBPRGKRZSA-N 314.451 1.224 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)c3ccncc3F)C2)nn1 585149716 SIBZURWNCJZBPL-LLVKDONJSA-N 305.313 1.046 0 40 DDAB O=C(C1CC(F)C1)N1CCc2ncnc(N3CCCC3)c2CC1 585110471 AEMMQZJGMALDNM-UHFFFAOYSA-N 318.396 1.752 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 44595827 ITSBKYKYCZUXEK-CQSZACIVSA-N 321.421 1.590 0 40 DDAB O=C(c1cncc(Br)c1)N1CCN(C2CC2)CC1 49403121 RTAGTUFJKMXQHL-UHFFFAOYSA-N 310.195 1.764 0 40 DDAB C[C@H](O)CN1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 69627743 NEOQENGAVGMGGG-KBPBESRZSA-N 316.405 1.796 0 40 DDAB Cn1cnc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)c1 1615085429 MHKLMSVDKRGKLH-PBHICJAKSA-N 303.381 1.985 0 40 DDAB O=C(O)C[S@@](=O)CC(=O)NCc1cccc(C(F)(F)F)c1 5248918 SNCSZHAKDUJMGZ-OAQYLSRUSA-N 323.292 1.155 0 40 DDAB CCn1c(=O)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2cccnc21 12222281 ZWLMXMYANOOUCA-CHWSQXEVSA-N 316.405 1.722 0 40 DDAB Cc1c(CCC(=O)NC[C@@H](C)O)c(=O)oc2cc(O)ccc12 12894120 ZLCWUKNIHBPAQG-SECBINFHSA-N 305.330 1.237 0 40 DDAB biogenic CC1=C(C(N)=O)C(c2c[nH]c3ccccc23)C(C(N)=O)=C(C)N1 19418624 ZHBBOXDALLZBMS-UHFFFAOYSA-N 310.357 1.373 0 40 DDAB C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccn1 19658327 ATVZTNXFHWQDTP-GFCCVEGCSA-N 308.345 1.613 0 40 DDAB Cn1nc(C(=O)OCC(=O)C(C)(C)C)c2ccccc2c1=O 3318227 GMIWLEPNDUGVPR-UHFFFAOYSA-N 302.330 1.706 0 40 DDAB CC(C)c1nsc(N2CCO[C@H](C(=O)N3CCCCC3)C2)n1 1888834715 KVMZBDCRKVKETA-LBPRGKRZSA-N 324.450 1.879 0 40 DDAB COCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 28896404 SGWQGBAHHKNXHP-UHFFFAOYSA-N 306.450 1.993 0 40 DDAB CCc1cnc(OC2CCN(C(=O)[C@H]3CCOC3)CC2)nc1 1776001647 DXHGCUBDJVRESI-ZDUSSCGKSA-N 305.378 1.445 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)nc1 1776000491 JIECKRKLSJBSAN-CQSZACIVSA-N 319.405 1.829 0 40 DDAB Cc1cc(N2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1 1776009345 FKVSYIIPRYWRAF-UHFFFAOYSA-N 300.366 1.368 0 40 DDAB COCC(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001926 SSWXHBWBHFOEIF-UHFFFAOYSA-N 315.373 1.282 0 40 DDAB Cn1cccc(C(=O)NC[C@]2(O)CCCc3sccc32)c1=O 1889072013 DWKKIRRGUYGTOW-MRXNPFEDSA-N 318.398 1.401 0 40 DDAB CCOC(=O)CCC(=O)N1CC[C@H](Oc2ccc(C)cn2)C1 238920564 TUBMNJHFAVUNQO-ZDUSSCGKSA-N 306.362 1.713 0 40 DDAB CCOCc1cncc2c1CCN(C(=O)c1csnn1)C2 1565552555 ZNMUBVPUOCGFIU-UHFFFAOYSA-N 304.375 1.668 0 40 DDAB O=C(CSc1ccc(F)cc1)N1CC(Cn2cncn2)C1 1565523145 ZSMADIURNVTIKJ-UHFFFAOYSA-N 306.366 1.668 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1 4966949 QQOSMXLGDJRHKA-UHFFFAOYSA-N 318.402 1.296 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)C1CCOCC1)CC2 2055730268 SOGDEJBGSUSHDB-GFCCVEGCSA-N 307.394 1.136 0 40 DDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 30566424 RSHBEZLJOYWCCB-UHFFFAOYSA-N 320.393 1.980 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 100737261 NLBPMILMRQHRGY-KBXIAJHMSA-N 322.364 1.837 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NCCC(C)(C)C)n(C)c1 31759019 KKRZOGKSZMZXAX-UHFFFAOYSA-N 301.412 1.099 0 40 DDAB O=C(NC[C@@H]1CCCO1)C1=NN(Cc2ccccc2)C(=O)CC1 40540108 RNRGOSMHNKCMQT-AWEZNQCLSA-N 315.373 1.460 0 40 DDAB CCN1C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1=O 40508578 PVUZJRKFGNRLIQ-ZJUUUORDSA-N 317.345 1.213 0 40 DDAB CN(C)C(=O)N1CCC[C@H](C(=O)NCCc2cccs2)C1 40513595 JDRNANDKIQTWAT-LBPRGKRZSA-N 309.435 1.800 0 40 DDAB CN(C)C(=O)N(CCN1CCOCC1)Cc1ccccc1F 20572596 FBVMBCYJCDOREX-UHFFFAOYSA-N 309.385 1.642 0 40 DDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(O)c1Cc1ccccc1 101449727 WXNBMQOGFDLMEL-ZDUSSCGKSA-N 306.387 1.848 0 40 DDAB COC(=O)[C@H](C)NC(=O)N1CCc2c([nH]c3ccccc23)C1 11692317 FZVSFNSLFADQRM-JTQLQIEISA-N 301.346 1.797 0 40 DDAB biogenic O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc2ccccc12 197725 MAZNKLATDRBDTB-OAFZBRQQSA-N 321.332 1.645 0 40 DDAB CC(C)n1nnnc1SCCn1c(=O)oc2ccccc21 46581981 QHIJKTHZILKYLN-UHFFFAOYSA-N 305.363 1.954 0 40 DDAB CCN(CC(=O)Nc1ccc(C)c(F)c1)CC(=O)NC(C)C 3419859 XIQVKKKEEYSRKM-UHFFFAOYSA-N 309.385 1.919 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)O[C@H](C)C(N)=O 21505158 SOIPGFHQFKHNGB-CYBMUJFWSA-N 315.373 1.839 0 40 DDAB CN(C)CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O 52538994 BMAPYSKSWYPMRN-UHFFFAOYSA-N 309.797 1.758 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CNc1cccc2ccccc12 21698295 OVGHZWSJSHMQHV-UHFFFAOYSA-N 311.385 1.989 0 40 DDAB CN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)C1CCCCC1 102598593 VKCHXERZRDAZHZ-YXAMBPQSSA-N 318.417 1.809 0 40 DDAB Cc1ccnc(SCCCNC(=O)Nc2ncccn2)n1 4941561 WRZGKUAZBNIWAF-UHFFFAOYSA-N 304.379 1.879 0 40 DDAB COCCNC(=O)c1cn(Cc2cccc3ccccc23)nn1 4985655 URFHXDYRYZRUQH-UHFFFAOYSA-N 310.357 1.856 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6453254 NRTXGKDVQAIEOG-MKHNBGRSSA-N 321.354 1.996 0 40 DDAB CCc1ncc2c(n1)CN(Cc1nnnn1-c1ccccc1)CC2 69877103 RKFCKRCKCZTCFR-UHFFFAOYSA-N 321.388 1.573 0 40 DDAB C[C@@H](SCc1ccccc1)C(=O)NCCc1nncn1C 69897040 RMLOJHAVSFVGHN-GFCCVEGCSA-N 304.419 1.796 0 40 DDAB C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1 69842338 KJKZFHYQEISTRK-ONGXEEELSA-N 320.784 1.258 0 40 DDAB CCn1cnnc1CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 46965482 GJIZFQKJWTXNIE-SECBINFHSA-N 305.304 1.782 0 40 DDAB COCCn1c(S)nnc1-c1cc(C)nc2c1c(C)nn2C 12394463 FUWABJFFPQRXEU-UHFFFAOYSA-N 318.406 1.779 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 42367352 IZJNMCZYZUUASD-STQMWFEESA-N 304.394 1.179 0 40 DDAB CCCc1noc([C@@H](C)N(C)CC2CCN(CCO)CC2)n1 69950134 MIGPTNCFSNXMHU-CYBMUJFWSA-N 310.442 1.719 0 40 DDAB CSCCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69966672 JOJFWQHUWVJMKG-OAHLLOKOSA-N 308.447 1.617 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 24051012 CWODTUDHGUUTMU-NSHDSACASA-N 317.432 1.511 0 40 DDAB CN(C)[C@H](CNC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1 42949154 BOTFVXWPDBGJGL-OAHLLOKOSA-N 324.469 1.404 0 40 DDAB Cc1cc(NCC(=O)N2CCNC2=O)ccc1Br 12526793 WSNBAZJIKIRVAT-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C)C 8777120 LRARODRVRVOIAO-SECBINFHSA-N 311.812 1.877 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)CC)cc1 56163338 NPFXGDGCBHJMIR-SNVBAGLBSA-N 306.366 1.681 0 40 DDAB C1C[C@H](c2noc(C3CC3)n2)N(Cc2nnnn2C2CC2)C1 76047744 YCVQIGFMFNCSPN-LLVKDONJSA-N 301.354 1.606 0 40 DDAB O=S1(=O)C[C@@H](N2CCC3(CC2)OCCO3)c2ccccc21 57238684 CEGJYURDKRAPBI-CYBMUJFWSA-N 309.387 1.354 0 40 DDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 35221408 VNTOVZYXEOOLHQ-STQMWFEESA-N 318.439 1.381 0 40 DDAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 108125366 UYYYGXBKVYYPJS-GYSYKLTISA-N 313.444 1.853 0 40 DDAB O[C@H](CNc1cncc(-n2cccn2)n1)COc1ccccc1 48231476 NKXFKKDORQZBIY-CYBMUJFWSA-N 311.345 1.514 0 40 DDAB O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccncc1 36360638 DVYAMFOAEZDKMY-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB CN(C)C[C@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 83850976 RUJFFXMIRMUOHP-OAHLLOKOSA-N 313.405 1.350 0 40 DDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc2ccccc2s1 8757238 YHDAQTWXADBQJU-UHFFFAOYSA-N 316.342 1.175 0 40 DDAB Cc1cccc(-n2nnnc2SC[C@H]2CNC(=O)O2)c1C 12997093 CAAPYBRPDZTSPK-SNVBAGLBSA-N 305.363 1.480 0 40 DDAB O=C(CSc1nnc2n1CCCCC2)NC[C@@H]1CCCO1 6098267 JTSYKSPQEBUTCW-NSHDSACASA-N 310.423 1.392 0 40 DDAB COc1ccc(C2(NCCNS(C)(=O)=O)CCCC2)cc1 71905277 YAWJNRVIPWEZSN-UHFFFAOYSA-N 312.435 1.603 0 40 DDAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(F)cc1 5212617 SCUILMGJVUFEMG-UHFFFAOYSA-N 320.276 1.330 0 40 DDAB O=C(NO[C@H]1CCCCO1)C1CCN(C(=O)c2ccoc2)CC1 65474303 KRCXYRXYHOGGLD-AWEZNQCLSA-N 322.361 1.706 0 40 DDAB CC(=O)NCCCNC(=O)c1cnn(-c2ccccc2)c1C 65440242 BOXRCANTWCNHKN-UHFFFAOYSA-N 300.362 1.437 0 40 DDAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CCC(=O)NC2)cc1 65625914 QHNRFVCFEYCGSZ-OCCSQVGLSA-N 304.390 1.611 0 40 DDAB CC(C)[C@@H](N)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 6633694 VFAMGOFGXODKHR-LLVKDONJSA-N 313.354 1.838 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633728 JXMQOAYCHZOEPJ-SMDDNHRTSA-N 324.402 1.302 0 40 DDAB CCn1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)cn1 66578756 CMTKDURKNBNUFU-UHFFFAOYSA-N 309.347 1.710 0 40 DDAB NC1(C(=O)NCC[C@H]2CN(Cc3ccco3)CCO2)CCCC1 67894271 AXRGDNUSUNRBFI-HNNXBMFYSA-N 321.421 1.258 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@H]1Cn1cccn1 71878616 YFQCMBPBIGZLFZ-AWEZNQCLSA-N 302.378 1.599 0 40 DDAB COc1ccccc1CCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 71829870 DYYGCUAISZZXSH-JSGCOSHPSA-N 304.390 1.740 0 40 DDAB CCN(CC)C(=S)S[C@@H](C)c1nc(N)nc(N(C)C)n1 9477357 RZDUWNCTRFWORO-QMMMGPOBSA-N 314.484 1.941 0 40 DDAB O=C(CN1CCCNCC1)Nc1ccc(OC(F)(F)F)cc1 64875880 IFUGUANIOLYWBP-UHFFFAOYSA-N 317.311 1.819 0 40 DDAB CCN1C[C@H](C(=O)NCc2ccc(OCC3CC3)nc2)CC1=O 69485764 WMHBMNJCRLNFQP-CQSZACIVSA-N 317.389 1.355 0 40 DDAB COc1ccc(-c2nnc(SCCNCCO)n2C)cc1 8428518 RNDZZZYCLBPVRP-UHFFFAOYSA-N 308.407 1.165 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCc1cccs1 8504342 BHTQCSDOMIZUOO-UHFFFAOYSA-N 324.431 1.419 0 40 DDAB Cc1cccc(C[C@@H](CNC(=O)c2ncoc2C)C(=O)O)c1 97036027 SOZAUBUEJCPYSB-ZDUSSCGKSA-N 302.330 1.965 0 40 DDAB O=C(NCc1ccncc1)[C@H]1CCC(=O)N1Cc1cccs1 72239738 MMGKBBYLMIFIPI-CQSZACIVSA-N 315.398 1.951 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 72267925 JSWVKTRJGRJAEC-ARFHVFGLSA-N 319.449 1.481 0 40 DDAB C[C@H](NC(=O)C1CCCCC1)C(=O)NCC(C)(C)C[C@@H](C)O 87422580 VTKSUYCSMYSFPA-OLZOCXBDSA-N 312.454 1.985 0 40 DDAB Cc1nc(CC(=O)N2CCOC[C@@H]2c2cccn2C)cs1 97144155 UJDWYTUFNLNXTA-CQSZACIVSA-N 305.403 1.933 0 40 DDAB CNC(=O)c1cccc(CCN2C(=O)[C@H]3CCCN3C2=O)c1 97232387 LLPHEQZEISXSAW-CYBMUJFWSA-N 301.346 1.015 0 40 DDAB CC(=O)Nc1ccc(NC(=O)C(=O)N2CCCSCC2)cc1 84796776 VCKDPKRSFFKDQW-UHFFFAOYSA-N 321.402 1.549 0 40 DDAB CCc1c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cnn1CC(C)C 95439983 MYXOTUFETAQJQX-CZUORRHYSA-N 322.453 1.550 0 40 DDAB O=C(Nc1ccccc1C(F)(F)F)N1C[C@H](O)C[C@@H]1CO 95445350 ZOQLWGLWQBLAOJ-RKDXNWHRSA-N 304.268 1.665 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 98013076 OTFFSYUZVHYQEA-LBPRGKRZSA-N 305.300 1.777 0 40 DDAB O=C(N[C@H]1COc2ccccc2C1=O)c1cnc2ccccn12 95986919 XMWBAIOCJQPSIE-LBPRGKRZSA-N 307.309 1.708 0 40 DDAB Cc1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1F 95989052 OBUJJBLCCRUHRI-NSHDSACASA-N 314.382 1.240 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)c2ccccc2COC)n1 67242230 FMUABBVEQXPHCM-UHFFFAOYSA-N 316.361 1.418 0 40 DDAB COc1ccnc(N2CCC[C@@H](c3nnc4ccccn34)C2)n1 32856029 BUOHYTKJYBFWSW-GFCCVEGCSA-N 310.361 1.912 0 40 DDAB NS(=O)(=O)c1ccc(NC2CC(F)(F)C2)c(C(=O)O)c1 522004250 QLBQDNKGSUFGSK-UHFFFAOYSA-N 306.290 1.242 0 40 DDAB CN(c1cnn(C)c1)S(=O)(=O)CCc1ccc2c(c1)CCO2 189435744 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CC[C@@H](C)NC(=O)Cn1cc(COc2ccc(F)cc2)nn1 227160365 SVSOGMIZCTZAQU-LLVKDONJSA-N 306.341 1.911 0 40 DDAB CCCn1c(=O)sc2cc(S(=O)(=O)NC3CC3)ccc21 225723907 YTUDVDOYDZWHSH-UHFFFAOYSA-N 312.416 1.914 0 40 DDAB Cc1cc(NC(=O)COc2ccn(-c3ccccc3)n2)n(C)n1 226853205 JTKBMMJCAKPCNR-UHFFFAOYSA-N 311.345 1.932 0 40 DDAB Cn1cc(CNC(=O)c2coc(CN)c2)c(C(F)(F)F)n1 571081485 CRMZZRMGSCVYKN-UHFFFAOYSA-N 302.256 1.421 0 40 DDAB COC(=O)C1(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 193654119 QPIREADSNMUCNM-GXTWGEPZSA-N 304.390 1.747 0 40 DDAB CCCCCNC(=O)c1sc(NS(C)(=O)=O)nc1C 225878747 LITFMOQSKSNUKP-UHFFFAOYSA-N 305.425 1.743 0 40 DDAB O=C(c1ccco1)N1CCO[C@H]2[C@@H]1CC[C@@H]2Cn1ccnc1 96250235 GCQLMOKMECMKOJ-VNHYZAJKSA-N 301.346 1.796 0 40 DDAB O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1COCCO1 96451665 YRUDSRWJVRVCRC-LBPRGKRZSA-N 324.343 1.182 0 40 DDAB Cn1nnnc1COc1cccc(C(=O)NCc2ccccc2)c1 96192470 PAUCHJLSTXXQAB-UHFFFAOYSA-N 323.356 1.719 0 40 DDAB O=C(C[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@H]12)N1CCCO1 96219027 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C1C[C@H]([C@@H]2OC([C@@H]3CCOC3)O[C@H]([C@H]3CCOC3)O2)CO1 245227857 WUUWFOUZAJPQLX-SIOPTORSSA-N 300.351 1.138 0 40 DDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H]1SCCc2sccc21 245339150 QVORIBJYKOSYFJ-UISBYWKRSA-N 310.444 1.849 0 40 DDAB CC(C)c1noc(CCC(=O)N2CCOC[C@H]2c2ccn[nH]2)n1 257219346 DGLWUYKBBNJFQO-LBPRGKRZSA-N 319.365 1.449 0 40 DDAB Cc1c[nH]c([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257294981 QWMQRWAOIVXVDI-ZDUSSCGKSA-N 302.382 1.148 0 40 DDAB CC(=O)N1CCN(CC2(O)CCOCC2)[C@H](c2ccccc2)C1 257206152 BCBUOOLLZNKLGB-KRWDZBQOSA-N 318.417 1.433 0 40 DDAB Cc1cnn(CC(=O)NCc2cnc([C@H]3CCCCO3)nc2)c1 257280735 OMCXSACSSBVDRX-CQSZACIVSA-N 315.377 1.540 0 40 DDAB COC(=O)[C@@H]1CCCS(=O)(=O)N1Cc1ccc(OC)cc1 261508345 RMWLAMUXRAUKHO-ZDUSSCGKSA-N 313.375 1.162 0 40 DDAB Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1ncc(F)cc1F 277301119 JSIPKPPBPKVHHG-LKFCYVNXSA-N 322.315 1.601 0 40 DDAB COCC1(O)CCN(C(=O)c2ccc(N(C)C)cc2F)CC1 270730187 DPHDHULXVQZADV-UHFFFAOYSA-N 310.369 1.505 0 40 DDAB CCOC(=O)[C@@]1(N2CCNCC2)C=CC(Br)=CC1 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316.401 1.850 0 40 DDAB CCS(=O)(=O)c1cccc(-c2nc(-c3cnn(C)c3)no2)c1 95447072 FHOLKYWCPLHVHI-UHFFFAOYSA-N 318.358 1.931 0 40 DDAB CCOC(=O)c1nn(C)cc1CN(C)Cc1c(C)noc1C 97095944 FRAHIUUBYJMNFJ-UHFFFAOYSA-N 306.366 1.834 0 40 DDAB Cc1noc(C)c1CN1CCN(c2nccc(N(C)C)n2)CC1 301727873 NMCRRWNTPAMLNJ-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H](C3OCCO3)C2)C1 84686232 DFKJLPXXNXAPEF-KFWWJZLASA-N 310.438 1.576 0 40 DDAB CCc1nnc(SCC(=O)NCCc2ccccc2)n1N 5555154 CHNNOBRHRBNIFD-UHFFFAOYSA-N 305.407 1.005 0 40 DDAB Cc1cnc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)n[nH]2)cn1 12114858 JBEJAYCSQBPEFP-JTQLQIEISA-N 309.333 1.456 0 40 DDAB O=C([C@@H]1CCOC1)N1Cc2ccccc2OC2(CCOCC2)C1 12121783 AYXWUVUWBJEFPW-OAHLLOKOSA-N 317.385 1.993 0 40 DDAB COc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)nn1 12440251 GGLKFGSUTZLXSW-JXMROGBWSA-N 324.384 1.847 0 40 DDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C(=O)O)C(C)C 13027322 NMBKZTWAWIUZLB-NSHDSACASA-N 315.347 1.081 0 40 DDAB C[C@@H](NC(=O)c1nccnc1N)c1ccc2c(c1)OCCO2 14776976 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WZSQUYISZGKUJF-LBPRGKRZSA-N 301.795 1.989 0 40 DDAB Cn1c(CSc2ccc3ccccc3n2)cc(=O)n(C)c1=O 11297023 CXWRTFCAQBIYBR-UHFFFAOYSA-N 313.382 1.925 0 40 DDAB Cc1nnsc1C(=O)NCc1cc(-c2ccccn2)nn1C 1775986070 SFMUVWISFGJNOV-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB Nc1nccnc1C(=O)NCc1ccc(Br)s1 25474650 ZBHNYKGYHWYKAT-UHFFFAOYSA-N 313.180 1.813 0 40 DDAB CC(C)C(=O)N1C[C@H](c2ccccc2)[C@H]2OCC(=O)NC[C@H]21 2037983867 JFQANXNWLZIOQZ-IIAWOOMASA-N 302.374 1.152 0 40 DDAB CCCC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8986836 INKAZXDNBBPYIR-LLVKDONJSA-N 304.346 1.685 0 40 DDAB COC(=O)CSc1nnc2n1CCN2c1ccc(OC)cc1 16953996 BMTJSASIJLVOQG-UHFFFAOYSA-N 320.374 1.704 0 40 DDAB CCN(CC(=O)NC)S(=O)(=O)c1c(C)cc(OC)cc1C 30435996 PIXBCPSFAXBNES-UHFFFAOYSA-N 314.407 1.069 0 40 DDAB Cc1ccc(OCCNC(=O)c2cccnc2-n2cncn2)cc1 31242203 KXDYSDFHANRJCN-UHFFFAOYSA-N 323.356 1.780 0 40 DDAB O=S(=O)(NCCCn1cccn1)c1ccc2c(c1)OCCO2 40504593 OURXKAGYNXHKQE-UHFFFAOYSA-N 323.374 1.023 0 40 DDAB CCOCc1ccc(CNC(=O)N[C@H](C)c2nncn2C)cc1 46158688 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Cc1cnn(CCNC[C@@H](O)COc2ccc(Cl)cc2)c1 70005007 HRPITMHKIGHACH-CQSZACIVSA-N 309.797 1.874 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CCN(C(C)C)C1)C2 106168480 BRZDWLCZYIKYKI-GJZGRUSLSA-N 318.417 1.845 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc21)Nc1c(O)cccc1F 76083445 RWPDCEJEDLBPQK-UHFFFAOYSA-N 301.277 1.813 0 40 DDAB Cc1cnc(CN2CC[C@H](N(C)Cc3noc(C)n3)C2)cn1 76047344 CGJGZCNJXGMVAP-AWEZNQCLSA-N 302.382 1.183 0 40 DDAB CN(CC(=O)N1CCNC1=O)Cc1cccc(Cl)c1Cl 56117931 IFEAGWWXFMBWCU-UHFFFAOYSA-N 316.188 1.977 0 40 DDAB COCCCN(CCOC)C(=O)Nc1ccc2c(c1)OCO2 56346885 QZLZBWXXMVKLJS-UHFFFAOYSA-N 310.350 1.932 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)NC(C2CC2)C2CC2)cc1 25314333 FDFWPOUBORMARR-UHFFFAOYSA-N 309.391 1.644 0 40 DDAB CC(C)(CNc1ccc2nnnn2n1)N1CCc2ccccc2C1 26725707 GRMONQMIQSRLQL-UHFFFAOYSA-N 323.404 1.768 0 40 DDAB COc1cc(CC(=O)OCC(=O)NC2CC2)cc(OC)c1OC 3248659 VYVDOMRGHGKFFV-UHFFFAOYSA-N 323.345 1.077 0 40 DDAB CC[C@H](C)NC(=O)c1ccc(N2C(=O)[C@H](C)NC2=S)cc1 67256096 XQICSFRRIUDDIC-UWVGGRQHSA-N 305.403 1.825 0 40 DDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccncc1 44716482 NWHFCQLEILZLJK-YPMHNXCESA-N 313.423 1.223 0 40 DDAB COCC(=O)N[C@@H](CN1CCCCCC1=O)c1ccccc1 58202213 XYPGOVRRQKGWJB-HNNXBMFYSA-N 304.390 1.893 0 40 DDAB C[C@@H](CNS(=O)(=O)c1cnn(C)c1)N(C)c1ccccc1 44937435 QCDYDPFIHWULFZ-LBPRGKRZSA-N 308.407 1.223 0 40 DDAB CN(C(=O)NCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 44966302 WEAUITDLRIJUKH-LLVKDONJSA-N 316.810 1.669 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1 10334595 KWPUBUJIJKTUFG-AWEZNQCLSA-N 324.402 1.869 0 40 DDAB C[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCCO1 27891305 VMLABGVWSZAGPH-XHDPSFHLSA-N 318.373 1.634 0 40 DDAB CCCN1CCC(CNC(=O)CNC(=O)c2ccccc2)CC1 58393800 WRMQMIDMXLPOOT-UHFFFAOYSA-N 317.433 1.655 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1C 27939749 MSUNFCRLGJCDDM-SNVBAGLBSA-N 303.380 1.325 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)Nc3cc(C)on3)nc2n1 3356657 FNMKYLILYMISFO-UHFFFAOYSA-N 318.362 1.768 0 40 DDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1cccc(F)c1 45138622 BBKATSMSFZAEFM-JTQLQIEISA-N 317.386 1.125 0 40 DDAB O=C(CCc1ccsc1)NCc1ccc(-n2cncn2)nc1 48277593 NLJBUQNEFADEJU-UHFFFAOYSA-N 313.386 1.973 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccnc(Oc3ccccc3)c2)N1 48288433 KTKYJORMPGAYPN-AWEZNQCLSA-N 311.341 1.769 0 40 DDAB CC[S@](=O)c1ccccc1C(=O)N[C@H](C)Cn1ccnc1 69348743 AFNZGXRRZFLUAS-XUSGNXJCSA-N 305.403 1.829 0 40 DDAB COCCNC(=O)[C@@H](C)N(C)CCOc1ccc(OC)cc1 12792158 OWCLPZYYCVFRQK-CYBMUJFWSA-N 310.394 1.157 0 40 DDAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cnn(C)c1 20606702 WXQVLHMGISIKAG-SNVBAGLBSA-N 320.378 1.195 0 40 DDAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(S(N)(=O)=O)c1 12777759 RKYUDMPOBAOLAN-NWDGAFQWSA-N 308.403 1.868 0 40 DDAB CCc1noc(CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)n1 29134511 LLPNOWALUOTMJC-INIZCTEOSA-N 314.345 1.908 0 40 DDAB COc1ccc(Br)c(C(=O)NCCNC(C)=O)c1 3411404 JSLONPFLIAURRV-UHFFFAOYSA-N 315.167 1.324 0 40 DDAB CCOC(=O)CN(CC)S(=O)(=O)c1cc(C)sc1C 38017467 YPQXFRBNAFLAEW-UHFFFAOYSA-N 305.421 1.939 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccccc1C(C)=O 8390048 AIPKDYZJCGVLSJ-CMDGGOBGSA-N 319.313 1.490 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)c1ccccn1 13072088 YRLICTHLTUGAKL-SECBINFHSA-N 324.333 1.958 0 40 DDAB CC(C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13012054 SMHLDUNPFPWRKT-ZDUSSCGKSA-N 323.418 1.274 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cccn2)C1 69436763 BMQKDQWJUUCSJY-AAEUAGOBSA-N 303.366 1.606 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1cc(C)ccn1)C(F)(F)F 13144014 FNBVUYYYLITJNE-LLVKDONJSA-N 305.256 1.370 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)c1 69445505 VFVLXAUPPJJUHI-ZDUSSCGKSA-N 303.366 1.353 0 40 DDAB Cc1n[nH]c(C(=O)N2CCN(C(C)C)CC2)c1Br 49002241 IPYUHVTVXVURAR-UHFFFAOYSA-N 315.215 1.647 0 40 DDAB CCCc1cc(N2CC(n3nc(C)cc3C)C2)n2ncnc2n1 69511709 QLZYIYRFAKZFEI-UHFFFAOYSA-N 311.393 1.951 0 40 DDAB COc1cccc(-n2cnnc2SCC(=O)NC2CC2)c1 6163491 ZPDKHBBEIGFBAG-UHFFFAOYSA-N 304.375 1.647 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCN(C)C2CC2)[nH]n1 65463977 IEHXWGPDDDAGAU-UHFFFAOYSA-N 316.409 1.251 0 40 DDAB CCCCCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 8502564 JZYLBKDAEXJCQS-QGZVFWFLSA-N 317.389 1.760 0 40 DDAB Cc1nnc([C@H]2Cc3ccccc3CN2CCS(C)(=O)=O)o1 65552547 OXVQUQSNMCWRDX-CQSZACIVSA-N 321.402 1.522 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccc(N3CCCC3)nc1)C2 69843068 WTZWPJKLBVQIHR-UHFFFAOYSA-N 312.377 1.238 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 4504759 ZFOOYOKGMSAXCY-JTQLQIEISA-N 307.293 1.622 0 40 DDAB Cc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(N)=O)CCS3 5483991 IZBYFRNNDCUQQW-UHFFFAOYSA-N 314.370 1.251 0 40 DDAB CCCCN1C(=O)N[C@](NC(=O)C2CC2)(C(F)(F)F)C1=O 4622638 VTFYYZQGHQHLSI-NSHDSACASA-N 307.272 1.123 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69738217 LTXIIHZYGJCOOP-NXEZZACHSA-N 314.311 1.800 0 40 DDAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCS(=O)(=O)C1 14671066 JHHWIKDVJBVXPF-ZETCQYMHSA-N 314.363 1.809 0 40 DDAB C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)NC1CC1 5655072 YOJRBZTXIWLFHN-SNVBAGLBSA-N 307.321 1.999 0 40 DDAB CC1CCN(c2nnc(S[C@H](C)C(N)=O)n2C2CC2)CC1 8734141 ULQVOBRAHLXEIZ-SNVBAGLBSA-N 309.439 1.815 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccccn1 15184110 NXEYRHDFNBEFGE-UHFFFAOYSA-N 302.378 1.426 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 67618546 HKIVTEHPCPQANY-ZBFHGGJFSA-N 316.401 1.850 0 40 DDAB C[C@H](NC(=O)N1CCOCC1)c1cccc(N2CCCC2=O)c1 68652843 BROSTJPFODVBCD-ZDUSSCGKSA-N 317.389 1.916 0 40 DDAB COC(=O)CCN(Cc1nc(C)c(C)o1)CC(OC)OC 96007160 VRFFPNWDIWNPQQ-UHFFFAOYSA-N 300.355 1.275 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cccn2C)c1C 9457927 DFVCTUWUIILXHZ-UHFFFAOYSA-N 318.329 1.796 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2C)c1C 9451457 BSAPZZAGDHTOII-UHFFFAOYSA-N 308.363 1.522 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@H](c1cc2ccccc2o1)C1CC1 83609174 CSTGCIUTZWBYBQ-HNNXBMFYSA-N 322.386 1.549 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C[C@H](O)Cn2cccn2)c1 71878571 NQJVMAPEGHRPMM-CVEARBPZSA-N 303.410 1.304 0 40 DDAB NC(=O)C1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 71808114 FKIPIRJKATXHBC-INIZCTEOSA-N 315.417 1.547 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)o1 71870445 BXLLFGDQJALSAT-HUUCEWRRSA-N 319.405 1.615 0 40 DDAB CCc1c(C(=O)N(CCOC)CCN(C)C)[nH]c(C)c1C(C)=O 83817311 VVIKWUNTHJXZGK-UHFFFAOYSA-N 323.437 1.738 0 40 DDAB O=C(c1c(F)cccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269605 SANNDVBIOHVWPE-KBPBESRZSA-N 310.344 1.636 0 40 DDAB O=C(CCNC(=O)N1CCc2ccccc2C1)O[C@@H]1CCOC1 71913777 XPYYYBQETCKNCJ-OAHLLOKOSA-N 318.373 1.477 0 40 DDAB O=C(CCc1ccccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268938 YQYDADMVZMNLIX-IAGOWNOFSA-N 320.408 1.816 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)no1 72231826 IAZNPJLRGILSPZ-CYBMUJFWSA-N 316.361 1.336 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NC[C@@H](O)Cc1ccccc1 78757587 NVFQQZRWUFDBMS-PWSUYJOCSA-N 305.296 1.674 0 40 DDAB NC(=O)c1ccc2c(c1)CCCN2C(=O)CC[C@H]1CCOC1 97101433 JVRVJCOUVSPZIU-LBPRGKRZSA-N 302.374 1.881 0 40 DDAB CCc1cnc(CN2CCO[C@@H](CNc3cccnn3)C2)o1 78893688 JVPQEPWWVUZURK-ZDUSSCGKSA-N 303.366 1.340 0 40 DDAB CC(=O)N1CC[C@@H](NCc2nc3ccccc3n2C)[C@H](C)C1 84714973 QCFJMSHAUBIYRE-TZMCWYRMSA-N 300.406 1.920 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CC[C@H](Nc2ccccc2)C1 95431840 UPWXSSKOEWWWSR-BZSNNMDCSA-N 320.433 1.729 0 40 DDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 74675582 PLNMQQPALZFNJL-IUODEOHRSA-N 321.469 1.704 0 40 DDAB CN(C)S(=O)(=O)NCCC1CCN(CC(F)(F)F)CC1 75094149 MXGOLMWZRXQBLR-UHFFFAOYSA-N 317.377 1.047 0 40 DDAB O=C(N1CCCC1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306125323 CMODIZNBWLGVPT-CQSZACIVSA-N 317.389 1.767 0 40 DDAB COc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1Cl 172932946 PBZDUKUNALZUEW-UHFFFAOYSA-N 320.798 1.615 0 40 DDAB CCOC(=O)CSc1nc2c(c(=O)n1CC)S[C@H](C)C2 250293 BFKFHWCLMTYDCA-MRVPVSSYSA-N 314.432 1.955 0 40 DDAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)c1 409285489 WTUKOSVIUWMFOL-VMUDFCTBSA-N 315.325 1.537 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1 32750766 HSQWDGDHIVYUDV-UHFFFAOYSA-N 311.403 1.637 0 40 DDAB NC(=O)CN1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 72363501 OOGYCEWPQWTAIZ-GFCCVEGCSA-N 312.377 1.280 0 40 DDAB CCOC(=O)N[C@@H](CNC(=O)c1cccnc1OC)CC(C)C 31698620 OPCDQILFNBOGAM-GFCCVEGCSA-N 323.393 1.981 0 40 DDAB Cn1c(CC(=O)N[C@@H]2CCn3ccnc32)nnc1-c1ccccc1 1544082223 OOUUFNFCLZAUMJ-CYBMUJFWSA-N 322.372 1.482 0 40 DDAB COc1ccc(CC(=O)NCCS(=O)(=O)C(C)(C)C)cc1 79052008 CLXRJUFSAAYVNA-UHFFFAOYSA-N 313.419 1.567 0 40 DDAB Cn1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cn1 36740093 GZVZOYHPHGSYII-ZBFHGGJFSA-N 320.343 1.808 0 40 DDAB O=C(O)C1=CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 72226949 RDNUDRRRBARJRT-UHFFFAOYSA-N 301.751 1.745 0 40 DDAB CN(C)c1cc(C[C@@H]2CNCCN(C3CCCC3)C2)ncn1 72355042 YOEOAKQPSJVODK-CQSZACIVSA-N 303.454 1.549 0 40 DDAB CN(C)c1cccc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 72368543 KZZLGRMWXMPTPB-UHFFFAOYSA-N 313.405 1.901 0 40 DDAB Cc1ccc(CN2CCO[C@](C)(C(=O)N3CCOCC3)C2)s1 72379868 XNWWHZLOEUFTLA-INIZCTEOSA-N 324.446 1.506 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(c2ccnc(C3CC3)n2)CC1 328732136 GZSLNMHCIPJXPS-UHFFFAOYSA-N 322.434 1.358 0 40 DDAB COc1cccc(N(CCCC(=O)N(C)C)S(C)(=O)=O)c1 223826224 AWPPQPCDVRFCRR-UHFFFAOYSA-N 314.407 1.330 0 40 DDAB CC(C)[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225221862 JFHCDYKKDKEEKS-LLVKDONJSA-N 324.402 1.382 0 40 DDAB CN(C)CCN1CCC2(CCN(Cc3ccncc3)CC2)C1=O 96157745 FMGTXTOBMMXWOU-UHFFFAOYSA-N 316.449 1.458 0 40 DDAB O=C(NC[C@H]1COCc2nc3cccnc3n21)c1ccccc1 96112540 IKKSGOWVGJINBL-ZDUSSCGKSA-N 308.341 1.933 0 40 DDAB biogenic,in-vitro CC(C)CN1CCO[C@@H]2CCN(C(=O)c3ccno3)CC[C@H]21 96249251 WZPHSDJZFUWYFQ-ZIAGYGMSSA-N 307.394 1.636 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96047106 DCOBUYBIAFDZNW-MRXNPFEDSA-N 317.393 1.086 0 40 DDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1[C@@H]1CCOC1 96070193 WEEQZAMVNOSJQT-DGCLKSJQSA-N 304.394 1.075 0 40 DDAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(N)cc1 96521365 WRCLRMBATHSFIB-QWRGUYRKSA-N 322.224 1.848 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072531 WQAPYUKBLVISNC-ZFWWWQNUSA-N 324.402 1.186 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C2CCC2)CC1 179554651 WABQVESUNBXDKU-UHFFFAOYSA-N 313.423 1.540 0 40 DDAB COCCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186451 XUGGUQBJUNQDQF-GJZGRUSLSA-N 302.374 1.819 0 40 DDAB c1cc(NC2CCOCC2)nc([C@H]2COCCN2C2CCC2)n1 96219644 UKNJQWAGPRSNSA-OAHLLOKOSA-N 318.421 1.993 0 40 DDAB Cc1nn(C)c(C)c1CN[C@H]1CC(=O)N(CC(F)(F)F)C1 95464129 OASVSDDQGDEYTP-JTQLQIEISA-N 304.316 1.290 0 40 DDAB O=CN1CCC(OC(=O)c2cncc(Br)c2)CC1 97234672 LOXPHNGHBZAGQP-UHFFFAOYSA-N 313.151 1.622 0 40 DDAB CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 96186196 LGKKCFZDTFLKSC-NXEZZACHSA-N 300.405 1.132 0 40 DDAB O=C(O)COCCNC(=O)Cc1cccc(C(F)(F)F)c1 93227605 QIOOUDSKAZLHIQ-UHFFFAOYSA-N 305.252 1.465 0 40 DDAB COCCNC(=O)[C@H]1CN(Cc2ccsc2)Cc2ccnn21 247840287 KROVGDWREFEVMG-CQSZACIVSA-N 320.418 1.264 0 40 DDAB CCOC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 242649014 RRFKYUCXGORNGX-MJBXVCDLSA-N 317.838 1.975 0 40 DDAB COc1ccccc1[C@H]1CNCCN1CC1(O)CCOCC1 257238193 HJYIWAPMRZQVTE-OAHLLOKOSA-N 306.406 1.183 0 40 DDAB 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CC(C)N(C)CC(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 1142584097 JBIDKHKZHBCQKH-DLBZAZTESA-N 316.449 1.597 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cc(OC)no2)Cc2cn(C)nc21 1565550344 ZRRFLICVGMOOEP-LLVKDONJSA-N 320.349 1.193 0 40 DDAB CCOCc1cncc2c1CCN(C(=O)c1cc(OC)no1)C2 1565552521 YLPFJMAPGLEXHJ-UHFFFAOYSA-N 317.345 1.813 0 40 DDAB CO[C@H]1CO[C@]2(CCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1565547527 SVGJICSKMWIEQB-MLGOLLRUSA-N 306.362 1.962 0 40 DDAB CCS(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1 9852700 MEQHTIUCJQHBTM-UHFFFAOYSA-N 307.375 1.462 0 40 DDAB CCC(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1 17248334 VKCQXYVYJNYOCQ-UHFFFAOYSA-N 305.359 1.896 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2CCC2)CC1 2055772793 FLZKKXUMWZKEOZ-UHFFFAOYSA-N 304.394 1.089 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)CC1CCOCC1)CC2 2055734511 FKKFLVDBMBTAMG-CYBMUJFWSA-N 321.421 1.526 0 40 DDAB O=S(=O)(N[C@H]1CCCN(c2nccc3occc23)C1)C1CC1 2086884611 UKHPMOVZJSVNDH-NSHDSACASA-N 321.402 1.878 0 40 DDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 225498277 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C[C@H](NC(=O)CS(=O)(=O)c1ncccc1Cl)C1CC1 47961845 WAGMPECKKOEXRG-QMMMGPOBSA-N 302.783 1.423 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)Cn2cncn2)CC1 108569549 KNKACSBJUNVCME-UONOGXRCSA-N 309.414 1.657 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2cnnn2)cc1 3238064 LLUCITYTOLANSO-UHFFFAOYSA-N 323.312 1.686 0 40 DDAB O=C(NC[C@H]1CCOC1)c1nc(N2CCCCC2)ncc1Cl 44519916 ODRICLUCPOXSGD-LLVKDONJSA-N 324.812 1.887 0 40 DDAB c1nc(N[C@H]2C[C@@H]3CC[C@@H]2O3)cc(N[C@@H]2C[C@@H]3CC[C@@H]2O3)n1 102290745 REYVTHJIPMOLLX-GAURVVSWSA-N 302.378 1.940 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)NCCCn1ccnc1 58129737 MYIHBUTVPSKVTF-UHFFFAOYSA-N 311.386 1.097 0 40 DDAB Cc1ccc(-n2cc(C(=O)NC[C@H](C)Cn3cccn3)nn2)cc1 58280231 SQJKQFMHCPMZOG-AWEZNQCLSA-N 324.388 1.838 0 40 DDAB O=C(NCc1ccc(-n2cncn2)nc1)N1CCCCCC1 44968751 PPXBDOIWZYDWTR-UHFFFAOYSA-N 300.366 1.748 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 44976614 QKAKEMYBJCNRRF-MRVPVSSYSA-N 315.285 1.471 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21 44910227 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CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2)c1C 9053958 FCLQWDGNFWSISW-UHFFFAOYSA-N 303.318 1.607 0 40 DDAB NC(=O)c1ccccc1OCC(=O)NC(=O)NC1CCCCC1 4341250 QDIOVYLOINWLGT-UHFFFAOYSA-N 319.361 1.323 0 40 DDAB O=C1CCCc2[nH]c(=O)c(C(=O)N3CCOc4ccccc43)cc21 65609265 ZUYAJLWHLOSTBZ-UHFFFAOYSA-N 324.336 1.933 0 40 DDAB CC[C@H](C(=O)N[C@@H](C)C(C)=O)N1C(=O)c2ccccc2C1=O 9193567 CYAGOALCAMFRTG-TVQRCGJNSA-N 302.330 1.155 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1nc2ccccc2[nH]1 6578480 OBDCYDXBFAJIIX-UHFFFAOYSA-N 319.324 1.912 0 40 DDAB CC(C)[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)C(N)=O 71885825 MJYUSKHFZCUATC-AWEZNQCLSA-N 312.316 1.554 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCn3c(nnc3C3CC3)C2)CC1 71880774 BLRCDINESXNSHW-OAHLLOKOSA-N 319.453 1.064 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 6879239 QQJXFNBODNOMTH-SJKOYZFVSA-N 317.389 1.758 0 40 DDAB CCc1cccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)c1 7003312 LXBDFFIEHZUSTC-HNNXBMFYSA-N 306.406 1.186 0 40 DDAB CCOc1ccc(-c2cn(C3CN(S(C)(=O)=O)C3)nn2)cc1 96000474 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Cn1cc(C(=O)C[C@H]2CCCN2Cc2nnc(C3CC3)o2)cn1 95977663 IYEXXJHMQARMDD-CYBMUJFWSA-N 315.377 1.918 0 40 DDAB O=C(CSc1nc2ccccc2[nH]1)NCc1csc(=O)[nH]1 95981258 CLCOYRAZKNTDDE-UHFFFAOYSA-N 320.399 1.721 0 40 DDAB Cn1ncc(C(=O)Nc2cccc3c2C(=O)NC3)c1C(F)F 95988297 KLCNATLRYHCQAR-UHFFFAOYSA-N 306.272 1.853 0 40 DDAB CC[C@H](NC(=O)c1noc(C)n1)c1nnc2n1CCCCC2 89948060 CSZPOKCDXPCMHX-JTQLQIEISA-N 304.354 1.577 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 20367521 UBHKMFOTFQROLB-KFWWJZLASA-N 316.401 1.984 0 40 DDAB COCC[C@H](C)NC(=O)NC[C@@](C)(O)c1ccc(F)cc1F 79349457 DLMOKNVAMXCGDS-ZUZCIYMTSA-N 316.348 1.897 0 40 DDAB CCn1ncc(CNC(=O)Nc2cccc(N(C)C(C)=O)c2)n1 529005748 XZEFMPCSJKFSJL-UHFFFAOYSA-N 316.365 1.602 0 40 DDAB Cc1nccn1CC(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1 72392236 KJOYTMOLJCDMFL-KRWDZBQOSA-N 318.421 1.631 0 40 DDAB Cc1cccc(C[C@H]2COCCN(Cc3cnn(C)c3)C2)n1 72388167 OMFHHWORKRMBFZ-OAHLLOKOSA-N 300.406 1.815 0 40 DDAB CC(CO)(CO)NC(=O)c1csc(Cc2ccc(F)cc2)n1 120550658 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Cc1nccc([C@@H]2CCCN2C(=O)CCn2ccccc2=O)n1 257310914 UHDXTKUJNVNQMR-HNNXBMFYSA-N 312.373 1.701 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257217441 CYYIGHPTLVOFJD-AWEZNQCLSA-N 315.329 1.661 0 40 DDAB CC(=O)N1CCN(Cc2ccccc2Cl)C[C@H](C(N)=O)C1 257260624 LDQXOKWCXGZKMD-ZDUSSCGKSA-N 309.797 1.106 0 40 DDAB Cc1nc(C)c(CC(=O)N2CC[C@](O)(CN3CCCC3)C2)s1 257229119 FWSYUGBPYWVMFY-INIZCTEOSA-N 323.462 1.362 0 40 DDAB Cn1nccc1-c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 257252569 JVFVPIXJRRFHNN-LBPRGKRZSA-N 320.418 1.306 0 40 DDAB c1cnc(N2CCC3(CCO[C@H]3Cc3cncnc3)CC2)cn1 257211731 CAENJHHGSRDBPW-HNNXBMFYSA-N 311.389 1.885 0 40 DDAB Cn1ccc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)n1 257214354 CLRFUGHZHSXXRG-MRXNPFEDSA-N 315.377 1.556 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3ocnc3C)CCO2)ncn1 257303313 SGSBVCNAWQUJQW-AWEZNQCLSA-N 316.361 1.555 0 40 DDAB CC(C)N1CCC(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)CC1 257286408 PLNARLGVZFAEJX-OAHLLOKOSA-N 306.410 1.430 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccno1 257261363 LHACDVOBKCKBRO-GFCCVEGCSA-N 302.334 1.247 0 40 DDAB CNc1cncc(C[C@H]2COCCN(C3CCOCC3)C2)n1 257264394 LUEASNKMWMQSRO-CYBMUJFWSA-N 306.410 1.188 0 40 DDAB O=C(c1ccsc1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257315914 VDGKSNXMZDICDT-LLVKDONJSA-N 319.386 1.575 0 40 DDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccccc1 257293704 QQULZBCAQWFCNJ-GOSISDBHSA-N 324.384 1.696 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575402789 CSZUFICZODCSNN-LLVKDONJSA-N 316.386 1.584 0 40 DDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccco2)C1 575406319 ZRWQQOAYHCRMRX-AWEZNQCLSA-N 316.361 1.332 0 40 DDAB Cc1nc(NC(=S)NC2=CCS(=O)(=O)C2)sc1C 575423808 RHCUDPZJLPBQGH-UHFFFAOYSA-N 303.434 1.359 0 40 DDAB Cc1ncsc1C(=O)NCc1nccnc1-c1cnn(C)c1 575606973 WWCLBOVXELYLDK-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB O=C(Cc1ccsc1)NCCn1nc(C2CC2)ccc1=O 575620410 QUJOTTYNAFQXDX-UHFFFAOYSA-N 303.387 1.541 0 40 DDAB Cc1ccccc1[C@H]1CN(Cc2cscn2)[C@H](CO)[C@@H]1O 585293901 BRCDXGNSPFNRMV-BZUAXINKSA-N 304.415 1.773 0 40 DDAB O=C(C[C@@]1(COc2ccccc2)CNCCO1)N1CCCCC1 585271602 HYTXZCPZZLWBIT-SFHVURJKSA-N 318.417 1.827 0 40 DDAB COC[C@@]1(CC(=O)Nc2cnn(C)c2C)CCCN1C(C)=O 585280469 JCWMPEHCOQSHSS-HNNXBMFYSA-N 308.382 1.085 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 45741844 GDLFVMGMZVFSFT-SNVBAGLBSA-N 312.420 1.445 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)NCCc2cnn(C)c2)on1 46993499 URNXIOKLUMHGGV-CYBMUJFWSA-N 303.366 1.806 0 40 DDAB C[C@@H](Cc1ccccc1Cl)NS(=O)(=O)c1cnn(C)c1 47497694 MNVXOSWPCYVWOO-JTQLQIEISA-N 313.810 1.983 0 40 DDAB CCCn1cc(NC(=O)c2cccc(C(=O)OC)n2)ccc1=O 56080134 DDIMVPXXUWCCEV-UHFFFAOYSA-N 315.329 1.692 0 40 DDAB CCc1nc2cc(N[C@@H](C)C(=O)N3CCNC3=O)ccc2o1 56201079 CRVWUAPMIKTZHH-VIFPVBQESA-N 302.334 1.742 0 40 DDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOC[C@@H]2C)o1 72298305 WIBRSPNDIHKZML-AAEUAGOBSA-N 314.407 1.690 0 40 DDAB CCOc1ccc(C[C@H](CNC(=O)c2ccco2)C(N)=O)cc1 65476758 HBJSCRDQNLSRRM-CYBMUJFWSA-N 316.357 1.752 0 40 DDAB C[C@H](Oc1ccccc1F)C(=O)N1CC(OC[C@H]2CCOC2)C1 1565522768 PBXFDJMTSLOXIY-STQMWFEESA-N 323.364 1.857 0 40 DDAB COc1cccc(NC(=O)N2CCC(N(C)CCO)CC2)c1 89346271 CBZXOPPBKQJULY-UHFFFAOYSA-N 307.394 1.616 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 4372056 BCYLGNHQHYDFIY-AWEZNQCLSA-N 322.430 1.160 0 40 DDAB COc1cccc(-c2nnn(CC(=O)NC3CCCCC3)n2)c1 416116 JHJQXOKDYPTNHN-UHFFFAOYSA-N 315.377 1.798 0 40 DDAB CC(=O)O[C@@H]1C=CC[C@@H]2C(=O)c3c(O)cccc3[C@](C)(O)[C@@H]21 5028859 LVMQQXVLRIZFOF-VSCHMZEVSA-N 302.326 1.920 0 40 DDAB O=C(NC1CCCC1)c1ccccc1CN1C(=O)CNC1=O 11411703 PETXWUBYMIYNMY-UHFFFAOYSA-N 301.346 1.411 0 40 DDAB CCCn1ncc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c1C 12242232 LKLDUDYXUWOVPQ-UHFFFAOYSA-N 315.377 1.192 0 40 DDAB CCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16085969 LGVHZLMWZPHQAD-UHFFFAOYSA-N 320.414 1.987 0 40 DDAB Cc1nn(CC(C)C)cc1S(=O)(=O)NCCc1cnccn1 19584278 YJSXNNXJUVESGW-UHFFFAOYSA-N 323.422 1.159 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)cn1 157213938 XCOYJDIXPLWEJV-LBPRGKRZSA-N 301.412 1.388 0 40 DDAB Cc1cc(N2CCN(c3ccc(N(C)C)nn3)CC2)nc(C)n1 1888899244 VEFJQZXCITVMIG-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB O=C1CN(c2ccc(NC(=O)C[C@H]3C=CCC3)cn2)CCN1 31718746 JWLQILZVVNSJRP-LBPRGKRZSA-N 300.362 1.313 0 40 DDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 13341444 YYHGHQYXIHEBOT-LLVKDONJSA-N 305.302 1.593 0 40 DDAB CN1c2ccccc2N(CCNC(=O)CC2CC2)S1(=O)=O 244942705 CVTKIWOJSUUPMT-UHFFFAOYSA-N 309.391 1.104 0 40 DDAB C[C@H]1NCCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 91496840 UIPPRYSCXLXBMY-RDDDGLTNSA-N 308.325 1.523 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@@H]2C1 1565550635 GBCQEHYFKPDMJS-YPMHNXCESA-N 302.365 1.601 0 40 DDAB NC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1 4164512 ANBYVJQIJBQZAH-UHFFFAOYSA-N 303.322 1.508 0 40 DDAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)c(=O)n1N 5994669 TTZBXZAOWFUKNE-UHFFFAOYSA-N 319.390 1.008 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)nc3sccn3c2=O)cc1 16690008 VRVLTLQFXPMRJV-UHFFFAOYSA-N 315.354 1.700 0 40 DDAB O=C([C@@H]1CN(c2ncnc3[nH]ccc23)CCO1)N1CCCCC1 2086854707 VKUUQCMQSYOIDK-ZDUSSCGKSA-N 315.377 1.176 0 40 DDAB COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 50730 XCGJKDFFRDFNME-LLVKDONJSA-N 305.783 1.816 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCCc1ccc2c(c1)OCO2 40485309 ONSPFABTDKAZDQ-UHFFFAOYSA-N 301.346 1.738 0 40 DDAB CCOc1ccc2nc(O)c(/C=C3\NC(=S)NC3=O)cc2c1 100758612 LMMRTLJGHMBRPS-GHXNOFRVSA-N 315.354 1.684 0 40 DDAB COCCCNC(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1 31735865 PXNDAANOMRDWBM-SNVBAGLBSA-N 307.329 1.193 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1ccc2ccccc2n1 40554730 KYQRFHXEFRENMK-UHFFFAOYSA-N 315.354 1.660 0 40 DDAB C[C@@H](c1ccccc1)N(C)CC(=O)NCCCN1CCCC1=O 16047085 IEXDIAKITFIQRK-HNNXBMFYSA-N 317.433 1.808 0 40 DDAB Cc1c(C(=O)N2CCOC[C@@H]2C)sc2ncn(C)c(=O)c12 46256230 UMWXBZJVBRGQGR-QMMMGPOBSA-N 307.375 1.164 0 40 DDAB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc2[nH]c(=O)[nH]c2c1 52385014 NSTHXQFXAJNFHY-MRVPVSSYSA-N 309.333 1.706 0 40 DDAB CCn1c(=O)c([C@@H](C)NNC(N)=S)c(O)c2ccccc21 6359475 ZZQXYEJYZOUQPS-MRVPVSSYSA-N 306.391 1.126 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(C)c1 6953116 RHCLVYQGDFZIOU-OAHLLOKOSA-N 303.406 1.842 0 40 DDAB CNc1snc(C)c1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76056924 CBHQLGGDWOCACD-ZYHUDNBSSA-N 324.450 1.286 0 40 DDAB CN(CCN1C(=O)CCC1=O)CC(=O)Nc1cccc(Cl)c1 29864111 GIJOQAZQBRIIAJ-UHFFFAOYSA-N 323.780 1.359 0 40 DDAB CCSc1nnc(NC(=O)C[C@H]2SC(=O)NC2=O)s1 11915219 OAUWHFWBAJBFAT-SCSAIBSYSA-N 318.405 1.330 0 40 DDAB Cc1ccnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 103595729 GMQYZSIGYNQVNE-RYUDHWBXSA-N 301.346 1.504 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53863795 QKKOVUMGRBEWGC-AWEZNQCLSA-N 309.391 1.431 0 40 DDAB CN1CCN(c2c(NCc3cccc(Cl)c3)c(=O)c2=O)CC1 101684253 QIZWRMFGKVMZHU-UHFFFAOYSA-N 319.792 1.300 0 40 DDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCOC1 41370925 GPTVBCPBDVXSEO-SNVBAGLBSA-N 317.794 1.266 0 40 DDAB COC(=O)c1cn(CN2CCC[C@@H]2Cc2cccc(F)c2)nn1 54546881 GOSYXYAXMAMPOT-CQSZACIVSA-N 318.352 1.868 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)CSC)CC2)C1=O 108534061 YJLCFERKBYHJCU-OAHLLOKOSA-N 314.451 1.227 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccccc1 8060375 GAUYJBWSLABPHR-UHFFFAOYSA-N 324.388 1.572 0 40 DDAB O=C(NCCNc1ncccn1)[C@H]1Cc2cc(Cl)ccc2O1 47106000 BCTBWZHRSCWULA-CYBMUJFWSA-N 318.764 1.662 0 40 DDAB O=C1N[C@@H](C(=O)NCCc2ccc(F)cc2Cl)CS1 81401116 SJHPYMYEUDWBBT-SNVBAGLBSA-N 302.758 1.963 0 40 DDAB COC(=O)CNc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 55870978 MUTOGSIHDVLULI-UHFFFAOYSA-N 314.407 1.609 0 40 DDAB NS(=O)(=O)CCNC(=O)c1ccc(C2CCCCC2)cc1 47523849 DKFVHEJALTYFTM-UHFFFAOYSA-N 310.419 1.753 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 26161319 OAPGMFIPSVRBOW-KRWDZBQOSA-N 323.396 1.671 0 40 DDAB C[C@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8192219 ARDWGPATFSWEOG-BNOWGMLFSA-N 313.357 1.038 0 40 DDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1c(F)cccc1Cl 27351301 XWTLVOQFBATXFG-UHFFFAOYSA-N 324.791 1.944 0 40 DDAB CN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCOCC1 44896170 CZFYUOYILXFRIT-UHFFFAOYSA-N 304.799 1.349 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc2ncccc12 58283460 UTOCFPMWZFDLSB-JTQLQIEISA-N 307.375 1.038 0 40 DDAB CC[C@@H](CN1C(=O)N[C@H](C)C1=O)N1CCc2ccccc2C1 44980686 NQAWJRIAPDPNLO-DOMZBBRYSA-N 301.390 1.764 0 40 DDAB c1ccc(CN2CCO[C@@H](CNc3ccc4nncn4n3)C2)cc1 58312665 ADLCOTGWMJRUNH-HNNXBMFYSA-N 324.388 1.437 0 40 DDAB CN(CC(=O)NC[C@@H]1CC=CCC1)c1ncnc2[nH]cnc12 58356600 KGYVESIXVYMDHJ-LLVKDONJSA-N 300.366 1.262 0 40 DDAB Cn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2occc21 36358829 IZVOYHVKHKPLPK-UHFFFAOYSA-N 319.342 1.671 0 40 DDAB COC(=O)NCC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 48298257 MKEHAWKPDUHKES-UHFFFAOYSA-N 321.377 1.365 0 40 DDAB COC[C@@H](C)NC(=O)COc1ccc(OC)cc1C(=O)OC 48264680 GYYNOAVWOXIPAK-SNVBAGLBSA-N 311.334 1.012 0 40 DDAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CCCO1 28227755 LFPRNWNBHROHMA-CHWSQXEVSA-N 307.346 1.868 0 40 DDAB O=C(NCc1nc[nH]n1)C1(c2ccc(Br)cc2)CC1 37920752 XITTZGXBIIXIKL-UHFFFAOYSA-N 321.178 1.915 0 40 DDAB NC(=O)N[C@H](CC(=O)NC[C@H]1CCOC1)c1ccccc1F 48374691 VJQFJTQRLSQRQL-ZWNOBZJWSA-N 309.341 1.078 0 40 DDAB Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)no1 3452496 OAVSWYDSNJYSRK-UHFFFAOYSA-N 315.285 1.125 0 40 DDAB Cc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1C 3603556 KKYMAWZPCADIES-UHFFFAOYSA-N 310.401 1.985 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)o1 63103319 YBUIGZPAKKNNEH-NSHDSACASA-N 319.313 1.486 0 40 DDAB CS(=O)(=O)NCCN1CCC(CN2CCCCCC2)CC1 69874721 FZLQEQIQDANNJR-UHFFFAOYSA-N 317.499 1.124 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1CCC[C@H](Cn2cncn2)C1 69848222 VKDYBWXCWWYBJK-NEPJUHHUSA-N 320.422 1.474 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1noc(C2CC2)n1 69840915 AMKWBPBNTSOPLQ-KGLIPLIRSA-N 304.394 1.922 0 40 DDAB COc1ccc(-c2cn(C[C@@H](O)CN3CCCC3)nn2)c(F)c1 91665608 HGYHPAZAIYGRAJ-LBPRGKRZSA-N 320.368 1.550 0 40 DDAB C[C@H](NC(=O)CN1CCC[C@@H]1Cn1cncn1)c1cccs1 69513911 HQUXGAFVKJBFFO-QWHCGFSZSA-N 319.434 1.681 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)Cn1ccnc1 65415724 ZHPRSBVWLUNLCU-CYBMUJFWSA-N 317.393 1.953 0 40 DDAB O=S(=O)(NCC[C@H]1CCCO1)N1CCc2ccccc2C1 65550174 PQSZGWYEKIEJEI-OAHLLOKOSA-N 310.419 1.448 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)Nc1cccnc1 5325464 PXXXCDVQFGTPRM-UHFFFAOYSA-N 309.329 1.605 0 40 DDAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1CCCC1 5319623 GMJZKNOISUDTBW-UHFFFAOYSA-N 303.387 1.569 0 40 DDAB Cc1ccnc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCCC2)c1 69616960 IDZJDCDBNFZHON-ZDUSSCGKSA-N 304.394 1.271 0 40 DDAB COC(=O)CNc1cc(C(=O)N2CCSCC2)ccc1C 69697154 IZEJOQCKCUCMKZ-UHFFFAOYSA-N 308.403 1.769 0 40 DDAB COCCNC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 65626894 PLLWKYUMEHJNAR-UHFFFAOYSA-N 320.389 1.500 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)c1ccn(-c2ccccc2)n1 69740051 LLXVIYPVSGSKTO-LBPRGKRZSA-N 321.402 1.425 0 40 DDAB CC(C)n1cc(CN2CCCN(C(=O)[C@H]3CCOC3)CC2)cn1 69700138 HQTORSXTYFLXAE-INIZCTEOSA-N 320.437 1.535 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 6753076 NEQXSLDABLSNMV-UHFFFAOYSA-N 304.354 1.410 0 40 DDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCc1ccc(F)cc1 8750198 WCFHKNWPEFXVSR-UHFFFAOYSA-N 318.348 1.761 0 40 DDAB COc1ccc(NC(=O)COC(=O)c2cc(C)no2)c(OC)c1 6851986 CNMHBZMRAYXRGO-UHFFFAOYSA-N 320.301 1.796 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@@H](O)c1ccccc1 8764709 IYQULQWTPTVWFG-MRXNPFEDSA-N 323.352 1.246 0 40 DDAB biogenic Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC(O)(CO)CC1 67435127 FSHNFTVDBQWKPM-UHFFFAOYSA-N 315.373 1.345 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccoc2C)o1 7195017 PWUKTJCSFLNAJQ-UHFFFAOYSA-N 324.362 1.966 0 40 DDAB COC(=O)c1cn(CC(=O)NC2=NCCS2)c2ccccc12 9119105 DQRVCGQXKFAGRV-UHFFFAOYSA-N 317.370 1.647 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)s1 9364163 GMEBGZGGVPDALX-UHFFFAOYSA-N 324.431 1.357 0 40 DDAB COc1ccc(CN2CCc3nn(C)c(=O)cc3C2)cc1O 93756291 KEBBDFHCQPTPGJ-UHFFFAOYSA-N 301.346 1.053 0 40 DDAB CCC[C@@H](NC(=O)Cc1ccc(OC)c(F)c1)c1nnn[nH]1 96466441 WRFCQCLJHOEGBQ-LLVKDONJSA-N 307.329 1.548 0 40 DDAB COc1ccc(C(=O)N2CCc3c(F)ccc(F)c3C2)nn1 84226398 FFMZFONTBGXDMX-UHFFFAOYSA-N 305.284 1.962 0 40 DDAB CN(C)C[C@](C)(O)CNC(=O)Cc1csc(C(C)(C)C)n1 84284793 KGHGLUNAYKKWTL-OAHLLOKOSA-N 313.467 1.412 0 40 DDAB COCC(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)CCC2 97162742 ZXGNTRRMMVCIHM-UHFFFAOYSA-N 304.390 1.446 0 40 DDAB CCc1ccc2c(Cn3cnnc3[S@@](C)=O)cc(=O)oc2c1 71899931 XACXMGOQOPUTIX-QFIPXVFZSA-N 317.370 1.733 0 40 DDAB COC(=O)c1ccc(NC(=O)c2n[nH]c3ccccc3c2=O)cc1 71893682 DNCYLPIOIXPQST-UHFFFAOYSA-N 323.308 1.962 0 40 DDAB C[C@H](OC[C@@H](O)CNC(=O)c1ccc[nH]c1=O)c1ccccc1 71829222 IDDMLGWZJCXZAA-JSGCOSHPSA-N 316.357 1.243 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 71881105 NSQMSNVYUYOYRI-SJORKVTESA-N 319.449 1.204 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNCc2c(C)n[nH]c2C)c1 97159526 NNSIIDNAXNVDSK-HNNXBMFYSA-N 305.378 1.867 0 40 DDAB Cc1nnc(C(=O)N2CCN(Cc3ccccn3)CC2)s1 97114218 BFWJNSQZZCUCSJ-UHFFFAOYSA-N 303.391 1.200 0 40 DDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1 409116054 OBONQOKBHQTNCV-UHFFFAOYSA-N 315.391 1.707 0 40 DDAB CNC(=O)c1ccc(Cn2cncc(Br)c2=O)cc1 95414754 QGERDYLKSUJPHH-UHFFFAOYSA-N 322.162 1.414 0 40 DDAB CCCc1nnc(CN[C@](C)(COC)CC(=O)OC)s1 95448120 WUQMJCQZZZXXAG-ZDUSSCGKSA-N 301.412 1.548 0 40 DDAB C[C@H](NC(=O)CN1C(=O)COc2ccccc21)[C@H]1CCCO1 27862362 HIDIFSKFDVPNSY-WCQYABFASA-N 304.346 1.096 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1 88059510 IGABJXFFSDHIQO-MRVPVSSYSA-N 309.218 1.976 0 40 DDAB CC[C@@H]1C[C@@H](C)CN1C(=O)CN1C(=O)NC(CC)(CC)C1=O 73322350 JBWAMWGELAKMEN-VXGBXAGGSA-N 309.410 1.744 0 40 DDAB Cc1noc(C)c1CNC(=O)C1CCN(c2cnccn2)CC1 95955245 ZIXSEPGMDJVZBF-UHFFFAOYSA-N 315.377 1.614 0 40 DDAB CC(C)[C@@H](CCO)N[C@@H](C)C(=O)N1CCc2ccccc2C1 95941183 JBYNFCWDFUORGV-WMLDXEAASA-N 304.434 1.956 0 40 DDAB O=C(NCc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1 95954654 YMLWVCBYTVNVPV-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2C=C[C@H](CO)C2)n1 95963405 NSARFLATRGVGEV-DTWKUNHWSA-N 302.300 1.910 0 40 DDAB CCN(CC)C(=O)N1CCN(c2ccc3nccn3n2)CC1 95972481 YJQOVMLOVLLTFF-UHFFFAOYSA-N 302.382 1.313 0 40 DDAB COCCOCCNC(=O)N1CCc2c(F)ccc(F)c2C1 89414774 ZIUBHDCTYXSTEA-UHFFFAOYSA-N 314.332 1.696 0 40 DDAB COCC(=O)N[C@H](C(=O)Nc1ccc(OC)c(OC)c1)C(C)C 75145718 BTOBMUUFLQRFJA-HNNXBMFYSA-N 324.377 1.430 0 40 DDAB Cc1csc(CN(C)S(=O)(=O)CC[C@H]2CCCO2)n1 89705573 GQWJQOBUATVAOW-LLVKDONJSA-N 304.437 1.782 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 89937860 DNVXKCQWIQIGEB-NVXWUHKLSA-N 316.449 1.456 0 40 DDAB CC(C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956625 JZGKWOGJRDPTIC-SECBINFHSA-N 320.361 1.644 0 40 DDAB Cc1noc(Cl)c1CC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C 1548504952 XTVOEJBWDPTHPA-GWCFXTLKSA-N 324.768 1.559 0 40 DDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 69568592 QQBMQGFQBFOALY-QWRGUYRKSA-N 307.419 1.546 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccccn1 32578708 FJJDUZMPCFFZGS-SECBINFHSA-N 304.331 1.657 0 40 DDAB Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)N(C)C)[C@H]2C1 306140726 VCDPWAMJIHICGW-YNEHKIRRSA-N 324.450 1.170 0 40 DDAB COc1ccc([C@H](CC(=O)O)c2n(O)c(C)c(C)[n+]2C)cc1 524733627 ZCQVJGPTNSHGOC-AWEZNQCLSA-O 305.354 1.782 0 40 DDAB Cc1cccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c1 188281218 ZTDGDQWBKDZMRX-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2ccccc2c1 40166808 KQFBSAZAUGPTSN-UONOGXRCSA-N 302.355 1.535 0 40 DDAB Cc1cc(O)nc2cc(C(=O)NC[C@@H](C)S(C)(=O)=O)ccc12 570546828 VBSZCHWIGRSHTI-SNVBAGLBSA-N 322.386 1.412 0 40 DDAB CN(C)c1nccc2c1CN(C(=O)[C@H]1NCC13CCCC3)CC2 1578430477 UPLXFHJWXGKXQP-OAHLLOKOSA-N 314.433 1.565 0 40 DDAB O=C(NCCc1ccccc1)N1CC[C@@H](Oc2cccnn2)C1 225418099 CXOBENZYTHZDGW-OAHLLOKOSA-N 312.373 1.882 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)N)C1 193285828 JOOYNIQOCQRURG-VXGBXAGGSA-N 300.399 1.882 0 40 DDAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)OC2(C)C)n1 96114806 JGRVMVMXEPGGMP-ZETCQYMHSA-N 312.347 1.600 0 40 DDAB biogenic CC(C)N1CCC(N[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 97238293 OBTODRCYDNIWHQ-GFCCVEGCSA-N 307.360 1.612 0 40 DDAB CCc1cc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc(C)n1 96425632 KAXUBRAWVBTCMI-ZDUSSCGKSA-N 316.405 1.935 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)C(=O)N(C)C(C)C)CC2 96447055 RPNGTQHFGCADPH-SOUVJXGZSA-N 312.454 1.494 0 40 DDAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)C(C)C)ccc2NC1=O 96182272 BKXHWNMBCYFLHP-MRXNPFEDSA-N 320.345 1.934 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccoc2)[C@@H]2CN(CC3CC3)C[C@H]12 96109433 OXNQASJFKDNWKG-XHSDSOJGSA-N 304.390 1.851 0 40 DDAB COC(=O)c1oc(Cn2nc(-c3ccco3)oc2=O)cc1C 96455701 GKULAMOEXQCOSL-UHFFFAOYSA-N 304.258 1.833 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(Cc3cccs3)[C@@H]2C1 96109417 HWBKOJCTHNIBQF-XHSDSOJGSA-N 310.463 1.916 0 40 DDAB COCCC(=O)N1CCn2c(COCC3CC3)cnc2[C@@H]1C 96109759 MDZJQTPPQBFFKY-LBPRGKRZSA-N 307.394 1.749 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1 96057593 JGUQNROANVXCNL-NUEKZKHPSA-N 304.390 1.785 0 40 DDAB c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](Cn1cncn1)C2 96188610 KNYGBCPSWJRSBM-CQSZACIVSA-N 314.418 1.868 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)Cn1cnc2cc(F)c(F)cc21 96447910 HXJGEUDRAWHDDQ-UHFFFAOYSA-N 319.315 1.707 0 40 DDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(c3cnccn3)C2)C1 248008812 BINWJBBLNDUILP-CJNGLKHVSA-N 312.377 1.141 0 40 DDAB COC[C@@H](O)CN[C@@H]1CCOc2c(Br)cccc21 252488025 IHLNQQFLHMGQLV-JOYOIKCWSA-N 316.195 1.870 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 257239608 HQCLNPYKNVCPGT-SFHVURJKSA-N 316.401 1.543 0 40 DDAB NC(=O)C1CN(C(=O)c2ccc(Cc3cccc(F)c3)nc2)C1 257277207 NWWLVOVHGWFXCS-UHFFFAOYSA-N 313.332 1.369 0 40 DDAB CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2cncs2)s1 257334388 YFRGCDFOLYCTIS-QMMMGPOBSA-N 322.415 1.937 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 257334034 YEGCRBPZSMCEAF-UNEWFSDZSA-N 305.422 1.731 0 40 DDAB C[C@H]1CCCN(c2cc(C(=O)NCc3nnc(N)o3)ccn2)C1 293301690 MXWQEQATXMURFF-JTQLQIEISA-N 316.365 1.213 0 40 DDAB COC(=O)[C@@H](C)Sc1n[nH]c(-c2ccc3c(c2)OCCO3)n1 390832984 ACCKKMGJKAUMEQ-MRVPVSSYSA-N 321.358 1.897 0 40 DDAB COC(=O)[C@H]1CN(Cc2cnn(C)c2)c2ccc(F)cc2O1 585141461 WIADCMABQGRJJG-CQSZACIVSA-N 305.309 1.500 0 40 DDAB O=C1C[C@H]2[C@H](CCN2C(=O)OCCF)N1Cc1cccnc1 585108909 CPPSOCMPPGSWCH-STQMWFEESA-N 307.325 1.363 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(Cc2ccnc(C)n2)C1 585275286 BXRLRPMKFTZMHL-MRXNPFEDSA-N 306.410 1.292 0 40 DDAB CCN(Cc1ccc(C(=O)NC[C@@H]2CCC(=O)N2)cc1)C(C)C 585141707 FHUBLFYBBIEXTE-INIZCTEOSA-N 317.433 1.925 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1cc(C2CC2)on1 585277494 MHYLPURWVAVOQN-OAHLLOKOSA-N 307.350 1.049 0 40 DDAB CC(C)c1nc(CCNC(=O)N[C@@H](C)c2nncn2C)cs1 69697117 YQXJQLVQUAIXAA-JTQLQIEISA-N 322.438 1.998 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 69877514 SGJBLUOYRXZGKF-LSDHHAIUSA-N 306.406 1.117 0 40 DDAB Cc1n[nH]c(SCC(=O)Nc2ccccc2Cl)nc1=O 5640581 OMYTZBCUOYKWEY-UHFFFAOYSA-N 310.766 1.858 0 40 DDAB CC/C(NC1CC1)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 5817489 MJMPDDCRJLXVNW-OWBHPGMISA-N 313.357 1.994 0 40 DDAB Cc1cn(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O 5748655 LDNYXZWTAZNIJK-UHFFFAOYSA-N 320.173 1.229 0 40 DDAB O=c1[nH]c2sc3ncccc3c2c(=O)n1C[C@@H]1CCCO1 1888918266 WIHHZFMDZKZEGE-QMMMGPOBSA-N 303.343 1.479 0 40 DDAB Cn1ccc(CN2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)cc1=O 1889078088 KEHCLVGDFRZSBA-CVEARBPZSA-N 310.401 1.491 0 40 DDAB Cn1nc(C(=O)N2CC3(CC(c4ccccc4)C3)C2)ccc1=O 1776001055 WWXRNRQCOUHEQC-UHFFFAOYSA-N 309.369 1.800 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)CCC3CCCC3)C[C@@H]21 2037984467 BVVVCZHUPYKQHO-GJZGRUSLSA-N 308.422 1.663 0 40 DDAB c1cnc(N2CC[C@H]3C[C@H](CN4CCCOCC4)O[C@H]3C2)nc1 2056225481 NWVAEFYOVDRBSL-XHSDSOJGSA-N 318.421 1.183 0 40 DDAB CN(C)C(=O)c1nn(C)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2 1614931366 NTJDPTASVGDOIV-KRWDZBQOSA-N 316.405 1.711 0 40 DDAB COc1ccc(CN2CCN(c3nccc(C)n3)C[C@@H]2C)cn1 2086910628 APBZVUYGXDKZGX-AWEZNQCLSA-N 313.405 1.899 0 40 DDAB COc1ccc(C(=O)NCCS(=O)(=O)NCC(C)C)cc1 4940959 OYLOUEKTCLSWPS-UHFFFAOYSA-N 314.407 1.000 0 40 DDAB CC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccccc2)c1 5250800 RBJSFJUOIFHJQK-UHFFFAOYSA-N 311.341 1.900 0 40 DDAB CCC(=O)Nc1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 35590056 ODWGWYDOGTTXLW-UHFFFAOYSA-N 324.362 1.335 0 40 DDAB CCN=c1cc(C)nc(N2CCN([C@H]3CCCC[C@H]3O)CC2)[nH]1 2298183903 YJWFQMHLEKXLFK-LSDHHAIUSA-N 319.453 1.064 0 40 DDAB COc1ccc(CC(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1F 40536329 GKTCQRYXMPWYKF-CQSZACIVSA-N 324.396 1.996 0 40 DDAB C[C@@H](SCc1ccccc1)C(=O)NCC(=O)Nc1cn[nH]c1 51413425 XCERSAQHMJEMLU-LLVKDONJSA-N 318.402 1.786 0 40 DDAB Cn1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1=O 29232528 QMKKABABDSQRMV-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)Nc2nnnn21 71051 UFLQLWWCUZMUNE-CYBMUJFWSA-N 315.333 1.534 0 40 DDAB CCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N 151028 QGOHPVSZKGENFM-UHFFFAOYSA-N 312.782 1.968 0 40 DDAB Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2)no1 46159541 ABJCVHSLROQGJD-VIFPVBQESA-N 309.347 1.320 0 40 DDAB Cc1cc(CCCC(=O)NCCS(N)(=O)=O)c(C)s1 84081875 JBDMMGLJAPNPLP-UHFFFAOYSA-N 304.437 1.092 0 40 DDAB C[C@H](Nc1ncnc2c1cnn2C)c1ccc2[nH]c(=O)[nH]c2c1 52385013 NSTHXQFXAJNFHY-QMMMGPOBSA-N 309.333 1.706 0 40 DDAB CCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1 4168767 IBRNSDVPPYDZDL-UHFFFAOYSA-N 313.412 1.399 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6728818 JBDRXPMABAOOHB-RFGFWPKPSA-N 305.330 1.902 0 40 DDAB CC[C@@H](C)NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 7939163 KTFPYAZGZKIVPZ-SNVBAGLBSA-N 323.345 1.538 0 40 DDAB CC(=O)Nc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 101536892 MWAMVUWNTSVDDU-XUXIUFHCSA-N 316.313 1.238 0 40 DDAB OCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1 52876759 SZBKHZOMTZGAPF-UHFFFAOYSA-N 322.434 1.341 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN(C(=O)C2CC2)C1 69442251 NRRKTGYFOXESDC-LBPRGKRZSA-N 312.373 1.572 0 40 DDAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 21821991 APEINNYJGPSPHV-IJLUTSLNSA-N 306.362 1.852 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 42366690 XLEKUPMLKRDCEK-STQMWFEESA-N 316.361 1.030 0 40 DDAB c1ccc(CN2CCC(Nc3ccc4nnnn4n3)CC2)cc1 54448043 RLMCENQUBBKJMF-UHFFFAOYSA-N 309.377 1.596 0 40 DDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCOCC3)c12 61721971 NQWVITOXHIYTAH-UHFFFAOYSA-N 302.378 1.873 0 40 DDAB COc1ccc(CNC(=O)CCNc2ncccn2)cc1O 54797642 BKCFJNCSQZEIGA-UHFFFAOYSA-N 302.334 1.309 0 40 DDAB Cn1nc(-c2ccc3c(c2)NC(=O)CO3)c2ccccc2c1=O 1384190 ANEZWJXFLJJOCZ-UHFFFAOYSA-N 307.309 1.931 0 40 DDAB CCCc1nc(CN2C(=O)NC3(CCSCC3)C2=O)no1 76763809 NCLUFPGVGWWJBM-UHFFFAOYSA-N 310.379 1.340 0 40 DDAB CS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648435 NZVYHKPAPYTRST-XDQVBPFNSA-N 314.451 1.353 0 40 DDAB COc1ccc2c3c1O[C@@]1(C)[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]341 100393598 OMGSJARTUSJECS-SUUSFRPXSA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro CNC(=O)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 25579257 UVEPTXIRLISPFE-UHFFFAOYSA-N 317.315 1.118 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 56111261 LVXOYKGCCHOBOA-VXGBXAGGSA-N 323.397 1.230 0 40 DDAB Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107346590 CBAXEVNDEPFHLZ-SDDRHHMPSA-N 315.377 1.778 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520161 NMDJZUDMLFVBEB-SJORKVTESA-N 311.385 1.740 0 40 DDAB COc1cc([C@H]2SCC(=O)Nc3[nH]ncc32)cc2c1OCO2 35324673 YOOIVTTXWMOVQH-CYBMUJFWSA-N 319.342 1.922 0 40 DDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC3CC3)ccc21 57280320 RQFWBDOCEZOHAG-UHFFFAOYSA-N 308.403 1.771 0 40 DDAB CCC[C@@H]1C[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 108386664 OPBVFBOWLCZBBE-HYVNUMGLSA-N 324.465 1.951 0 40 DDAB COC(=O)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(C)C 26771723 AMYNTSUMMOHICR-CQSZACIVSA-N 308.378 1.735 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1N(C)C 78894923 BYJSRTTTZYKDOK-OCCSQVGLSA-N 302.378 1.547 0 40 DDAB O=C(Cc1cccc2cccnc12)NC[C@@H]1CCS(=O)(=O)C1 44723947 BAXRNVPVEAYZQS-LBPRGKRZSA-N 318.398 1.328 0 40 DDAB Cc1cccc(N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)c1C 48141261 MCSYUDSWSSLDBZ-CQSZACIVSA-N 324.446 1.385 0 40 DDAB CCOC(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1c1ccccc1 48160288 CJQOTFSEPZKCRM-OAHLLOKOSA-N 319.405 1.590 0 40 DDAB COC(=O)c1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)cc1 104502692 RTPGUTIRKLDUEM-QGZVFWFLSA-N 320.433 1.750 0 40 DDAB C[C@H](NC(=O)CN1CCCC1=O)c1ccc2c(c1)OCCO2 44868860 HAJHDKRXQAQDPH-NSHDSACASA-N 304.346 1.257 0 40 DDAB COC[C@@H](NC(=O)Nc1nnc2ccccn12)c1ccco1 78973184 DIRSCMLXBABROG-SNVBAGLBSA-N 301.306 1.832 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(CC(F)F)CC1 58365868 JRSIRUNELORJPQ-DUXPYHPUSA-N 324.327 1.838 0 40 DDAB CCN1CCC(CNC(=O)CN(C)Cc2ccccc2)CC1 58412169 KDYOADUBSFWJPT-UHFFFAOYSA-N 303.450 1.967 0 40 DDAB CCN(CC)[C@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 78952743 SXUZUFJLSXRCMS-INIZCTEOSA-N 305.422 1.805 0 40 DDAB COc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)cn1 10582301 RVTCVOZTAMGRMV-ZDUSSCGKSA-N 304.277 1.613 0 40 DDAB NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 36378510 FADDLBKJTNUMJA-INIZCTEOSA-N 302.399 1.933 0 40 DDAB in-vitro CC(C)N1C[C@@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1=O 36397831 SWESXULUMGEAAI-KBPBESRZSA-N 323.462 1.724 0 40 DDAB CCNC(=O)NC(=O)CN1CCN(c2cccc(C)c2C)CC1 36389744 NMZUTRQVBSTOMA-UHFFFAOYSA-N 318.421 1.271 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccc(N2CCOCC2)nc1 10718946 UAHHPUQKYDJTMM-UHFFFAOYSA-N 316.361 1.453 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1Cl 37993226 OHNOXTDIEJBNEP-UWVGGRQHSA-N 319.814 1.406 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@@H]2C)cc1 48356628 CNEDFRFJPGVBBV-CMPLNLGQSA-N 311.407 1.050 0 40 DDAB Cc1noc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)n1 62639834 MJDABPPCKJOVHV-CQSZACIVSA-N 320.736 1.999 0 40 DDAB CCCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3575799 ITAUJFRKVVWAFV-UHFFFAOYSA-N 304.371 1.875 0 40 DDAB CC(=O)Nc1ccc(CCNC(=O)NC2CCOCC2)cc1 69631323 AXHATLGMPSASOU-UHFFFAOYSA-N 305.378 1.666 0 40 DDAB CC[C@@H](C(N)=O)N1CCN([C@H](C)c2ccccc2OC)CC1 69739753 MHVNVUUXNVBBAG-HIFRSBDPSA-N 305.422 1.638 0 40 DDAB COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(C)nc2)C1 69895287 CJPKDEINXIBKIR-CYBMUJFWSA-N 306.366 1.420 0 40 DDAB Cc1cc(C[S@@](=O)CC(=O)N2CCc3ccccc32)no1 64811790 FSMKWPJVQQUMTC-NRFANRHFSA-N 304.371 1.821 0 40 DDAB COc1ncnc2c1CN(Cc1noc(C(C)(C)C)n1)CC2 65498660 QWKGRDDNAVCDRH-UHFFFAOYSA-N 303.366 1.724 0 40 DDAB CN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 4473055 AWFFSMIFQFAWIB-UHFFFAOYSA-N 324.450 1.008 0 40 DDAB CCOC(=O)c1cnn(CCOC(=O)c2occc2C)c1N 65563643 YAJPMERTCPKYMV-UHFFFAOYSA-N 307.306 1.400 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 6558729 FQLYRJNOVLFBAJ-SECBINFHSA-N 317.794 1.652 0 40 DDAB COCCn1c(C)cc(O)c([C@@H]2OC(=O)c3ccccc32)c1=O 6661191 NLFWWCPBZJHXBQ-OAHLLOKOSA-N 315.325 1.769 0 40 DDAB O=C(Cn1ccc2ccccc21)NN1C(=O)c2ccccc2C1=O 14775811 YMQKOXQFOUAMGJ-UHFFFAOYSA-N 319.320 1.969 0 40 DDAB O=C(NCCCn1ccnc1)NCc1ccccc1-n1cccn1 67004481 BWCFXMGQMCGVMA-UHFFFAOYSA-N 324.388 1.958 0 40 DDAB CN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1 15502345 ZJJNLXQDJXKCKQ-INIZCTEOSA-N 311.341 1.747 0 40 DDAB CCc1nc([C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)no1 67940017 RRXBFSIOGBBRKA-RYUDHWBXSA-N 303.366 1.796 0 40 DDAB CCSc1nnc(NC(=O)[C@@H](NC(C)=O)C(C)C)s1 8938659 OCFBGRXRZPOBFG-QMMMGPOBSA-N 302.425 1.749 0 40 DDAB O=C(C1=COCCO1)N1CCN(c2cccc(Cl)c2)CC1 8016332 HJPGTZXALSPJLH-UHFFFAOYSA-N 308.765 1.877 0 40 DDAB CCOc1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1 8937530 OZNUDCYXMVWYGF-UHFFFAOYSA-N 312.373 1.984 0 40 DDAB COCc1cccc(C(=O)NS(=O)(=O)Cc2cccnc2)c1 96013319 WIHVYKZDIXHRTO-UHFFFAOYSA-N 320.370 1.488 0 40 DDAB Cc1ccc(CCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C)c1 96408582 NVVRUBCSQIZVHG-HNNXBMFYSA-N 324.446 1.386 0 40 DDAB Cc1cccn2c(=O)cc(CN[C@@H](C)[C@@H](C)n3cccn3)nc12 71882078 PKVNTACNHIWNBP-UONOGXRCSA-N 311.389 1.939 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 71871118 GSEZDURDWZXPIU-MAZHCROVSA-N 306.381 1.454 0 40 DDAB COc1ccc(OC)c([C@@H](O)CN[C@@H](C)Cn2cc(C)cn2)c1 71874950 PKCASDLBIGTVPN-BBRMVZONSA-N 319.405 1.920 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN1CCSc1ccccc1 71910680 LRXROZJGPCBKNE-LBPRGKRZSA-N 300.449 1.532 0 40 DDAB Cn1c(=O)/c(=C/c2cccs2)s/c1=C/C(=O)C(C)(C)C 96794748 QOMFCTAEJIMUAM-ZXXZFBTCSA-N 307.440 1.733 0 40 DDAB C[C@H](NC(=O)COC(=O)c1nccnc1N)c1cccs1 9738135 UOVGGJVYMHIVAG-QMMMGPOBSA-N 306.347 1.155 0 40 DDAB CC1(NC(=O)CNC(=O)c2ccc(F)c(F)c2)CCOCC1 97162766 RBOGFNAFDHKLNU-UHFFFAOYSA-N 312.316 1.380 0 40 DDAB C[C@H]1CCC[C@H](OCC(=O)N(C)CC(=O)NCC(F)(F)F)C1 95395993 CJEVJITXMOODEO-QWRGUYRKSA-N 324.343 1.719 0 40 DDAB C[C@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1)Cc1cccs1 84640895 RUAOARXLEFIZHE-RYUDHWBXSA-N 309.435 1.847 0 40 DDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(C(N)=O)cc1 84714839 HASIHAPNYOEQJH-WBMJQRKESA-N 315.417 1.522 0 40 DDAB Cc1ccccc1-c1nnc(Cn2nc3ccccn3c2=O)o1 95401582 ATLKBIWKFBMGCG-UHFFFAOYSA-N 307.313 1.903 0 40 DDAB CC(C)[C@H](NC(=O)N(C)C[C@H](O)C1CC1)c1nnc2n1CCC2 95411268 ZXJKAYBLCQKVCJ-JSGCOSHPSA-N 321.425 1.334 0 40 DDAB Cc1ccc2cccc(OC[C@@H](O)CN3CCOCC3)c2n1 95439032 HIWIFAUNXNWMAQ-HNNXBMFYSA-N 302.374 1.615 0 40 DDAB C[C@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2ccsc2)n[nH]1 95406024 MIOISZUDOZBAJS-MRVPVSSYSA-N 313.404 1.757 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C1CCN(C(C)=O)CC1 88269403 JRVCRSGUTBQFJG-HUUCEWRRSA-N 324.421 1.483 0 40 DDAB Cc1nc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)sc1C 95985683 UTDPHTWHMGPNDU-SNVBAGLBSA-N 317.436 1.136 0 40 DDAB CC(C)Cn1cnc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1 95972860 YBHDYZFSSCYRGI-AWEZNQCLSA-N 323.418 1.551 0 40 DDAB CCN1CCC(NC(=O)NCCc2c(C)nn(C)c2C)CC1 95949476 DQCJMTRWACEQNJ-UHFFFAOYSA-N 307.442 1.363 0 40 DDAB CCn1cc(S(=O)(=O)Nc2n[nH]c(C)c2CC(C)C)cn1 95944041 RWGHYBAMNPCMLO-UHFFFAOYSA-N 311.411 1.934 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ncoc3CC)CCO2)n1 89282583 ZXVNAINLVUMGRU-SNVBAGLBSA-N 305.338 1.131 0 40 DDAB CNc1ncnc2ncn(CCC(=O)Nc3cc(C)on3)c12 75140157 QDSPSTUGQMZJKY-UHFFFAOYSA-N 301.310 1.193 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 65404078 XRMHAGSJJPYAGS-AWEZNQCLSA-N 303.406 1.416 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N3CCOC[C@@H]3C3CC3)ccc21 89976470 GDJXQPJWKFXOGI-QGZVFWFLSA-N 314.385 1.847 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](COCC3CC3)CCN2C)C1 306137168 QNIZLWNQQZJDTH-OAHLLOKOSA-N 310.438 1.372 0 40 DDAB O=C(NCc1noc(-c2cccs2)n1)c1ccnc(O)c1 547729697 DDRQBWJAZWAUKG-UHFFFAOYSA-N 302.315 1.829 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2csnn2)C1 548018022 SNBLQALWEOXAOM-ZDUSSCGKSA-N 323.447 1.540 0 40 DDAB Cc1nc2ncnn2c(NCC[S@@](=O)c2ccccc2)c1C 77220173 LWQAAWQISHJZBX-QFIPXVFZSA-N 315.402 1.961 0 40 DDAB CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1cccc(Cl)c1 126664958 OKPCYQKNHWOMBK-SECBINFHSA-N 324.686 1.660 0 40 DDAB Cc1nnsc1-c1nn2c(-c3cnccn3)nnc2s1 36365900 MFAZOHMXVKHHNB-UHFFFAOYSA-N 302.348 1.470 0 40 DDAB Cc1cccc(C(=O)N2CCOC[C@@H](Cc3ccncn3)C2)n1 72388328 QDNYAIPYEBMDRH-AWEZNQCLSA-N 312.373 1.511 0 40 DDAB NC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72361804 ZCAKXNUOWUNPSU-CYBMUJFWSA-N 312.373 1.934 0 40 DDAB CN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 32611359 NSDPHAJNBVJAQH-UHFFFAOYSA-N 302.296 1.858 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cccnc3)C[C@H]21 72336068 UKNOOPWURANWLZ-OCCSQVGLSA-N 310.357 1.275 0 40 DDAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1cc(F)ccc1OC 79324380 GWQWEWCGZSFWEJ-CFMSYZGJSA-N 301.383 1.998 0 40 DDAB Cc1cc(C)nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72364549 FXPUKDALYLBAPI-GFCCVEGCSA-N 321.406 1.353 0 40 DDAB CCCC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)CCC1 564919066 PTCZDZJBGVPJPS-NSHDSACASA-N 304.412 1.340 0 40 DDAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 72227591 AWPFYJLERJRASB-GJZGRUSLSA-N 300.289 1.970 0 40 DDAB Cc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)cnn1C 72334841 NCJGWWCVEISLAQ-UHFFFAOYSA-N 318.402 1.920 0 40 DDAB Cc1nnc(Cn2nnc(C(=O)N3CC[C@@H](C)C[C@H]3C)c2C)o1 565209001 HQEYKEJUBXKJOE-NXEZZACHSA-N 318.381 1.587 0 40 DDAB CN1CCN(CCOc2ccc(NC(=O)NC3CC3)cc2)CC1 72928938 WDTPMUCQLGVZAH-UHFFFAOYSA-N 318.421 1.597 0 40 DDAB CC(C)[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225235559 AXGGDVFKLMAYLI-VIFPVBQESA-N 314.432 1.923 0 40 DDAB CCN(C)c1cccc(NC(=O)N(C)C[C@@H](C)C(=O)NC)c1 81612855 KQLLSCJLNPJIJP-GFCCVEGCSA-N 306.410 1.989 0 40 DDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)NCc1cccs1)CS2 85473676 KHYDCJRPNASEEE-SNVBAGLBSA-N 321.427 1.652 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cnc(C(C)C)nc2C)CC1 225791376 CPQWZBRVPJNCSG-UHFFFAOYSA-N 320.393 1.823 0 40 DDAB COC(=O)Cc1ccccc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 225488551 SGWUHMRUTHRZAR-CJNGLKHVSA-N 316.401 1.568 0 40 DDAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccccn1)C2 225494607 JEHRHHHTLQGCCJ-KRWDZBQOSA-N 312.417 1.988 0 40 DDAB biogenic,in-vitro COC(=O)c1c(C)n[nH]c1S(=O)(=O)NCc1ccc(C)cc1 48991435 RVDVCJZDQBKQEX-UHFFFAOYSA-N 323.374 1.292 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 574330364 SLXAOOBXQFMGPH-NZBQSGDWSA-N 305.378 1.605 0 40 DDAB Nc1ncnc2c1ncn2[C@@H]1CCC[C@]2(CC=CCOC2)[C@H]1O 226078113 ACJYBPGWUPHYJI-FFSVYQOJSA-N 315.377 1.457 0 40 DDAB CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CCOc1ccccc1 96443671 IDWURFMQILHCKD-HIFRSBDPSA-N 304.390 1.829 0 40 DDAB CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1ccncc1)C2 96047431 ICDJBYWOUDDRAL-MRXNPFEDSA-N 323.462 1.862 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 96161404 LDTXCWFBHKPOFB-YJBOKZPZSA-N 322.368 1.223 0 40 DDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)C2CC2)C1 96244462 QSYCESZLEGBEOA-QGZVFWFLSA-N 316.405 1.261 0 40 DDAB C[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2 96496901 VKPBXDDSEMCENN-MNOVXSKESA-N 321.425 1.931 0 40 DDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccoc1 96041556 WDQPXMBMIWRNAE-SQWLQELKSA-N 308.378 1.116 0 40 DDAB c1ccc(CN2CCn3cc(CN4CCOCC4)nc3C2)cc1 96197282 LONKDJZJXREIPQ-UHFFFAOYSA-N 312.417 1.731 0 40 DDAB Cc1noc([C@@H]2CCC3(CCN(S(C)(=O)=O)CC3)O2)n1 96109964 FMEKMIHIZBFCCF-JTQLQIEISA-N 301.368 1.024 0 40 DDAB COCCCNC(=O)N1CCN(Cc2c(C)noc2C)CC1 98211886 OFQFICOLGRCSTJ-UHFFFAOYSA-N 310.398 1.155 0 40 DDAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)[C@@H]3CCOC3)[C@H]2C1 96268347 NZJOCLADXBPEJC-ZCPGHIKRSA-N 314.385 1.456 0 40 DDAB Cc1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)no1 96427373 BHGFCPYPHYAIIX-UHFFFAOYSA-N 307.335 1.374 0 40 DDAB O=C(c1cc2c(nc1NCC1CC1)CCNCC2)N1CCCC1 96260614 OQBLGVKBRMWXPQ-UHFFFAOYSA-N 314.433 1.828 0 40 DDAB Fc1ccc(CN2CCn3c(Cn4cncn4)cnc3C2)cc1 96061827 NWXHARJGGHIETD-UHFFFAOYSA-N 312.352 1.678 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 96186466 NVGDOIGYMBPKPK-GJZGRUSLSA-N 323.356 1.282 0 40 DDAB Cn1cc(CCCCNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cn1 245338761 OKOMFILRMWURNN-RRFJBIMHSA-N 320.437 1.856 0 40 DDAB O=C([C@@H]1CCCCO1)N1CCC2(CC(Nc3ccncn3)C2)C1 257253513 JZFWNCKVJPQUBB-UUCFBXCCSA-N 316.405 1.839 0 40 DDAB Cc1nn(C)c2nc([C@]3(C)CCCN(S(C)(=O)=O)C3)ccc12 257283850 PADDYJMXLGOCLB-OAHLLOKOSA-N 322.434 1.590 0 40 DDAB COc1cc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)ccn1 42621496 NNVMJWKBHSZOKI-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB Cc1nc(CC(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cs1 257252043 JTIPWULNAKJSLB-UMVBOHGHSA-N 309.435 1.098 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)n1 257331003 XQZHRFMPFKVJOZ-AWEZNQCLSA-N 301.394 1.558 0 40 DDAB O=C1NCCC[C@H]1NC(=O)C1(Cc2ccccc2)CCOCC1 257212055 CBSKZZHAPYMBDD-OAHLLOKOSA-N 316.401 1.421 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)CC2CCCC2)CCO1 257326922 WZDAJSQSGBKVML-CYBMUJFWSA-N 304.394 1.999 0 40 DDAB COC(=O)CCCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 50024418 MPDLWQCIWRIPFL-INIZCTEOSA-N 318.417 1.968 0 40 DDAB CCSCCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 52566937 ZHJTYNIAOHFUSU-UHFFFAOYSA-N 321.402 1.820 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 54691919 SNNDDEGEMVDEQU-IAQYHMDHSA-N 316.332 1.936 0 40 DDAB Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(F)c1 95989047 CRFPDZGZEJJBBZ-NSHDSACASA-N 314.382 1.240 0 40 DDAB COCc1nc(C)c(C(=O)N2CCC(OC(C)=O)CC2)s1 95976253 JSOPWKMMXPDTPW-UHFFFAOYSA-N 312.391 1.766 0 40 DDAB COc1ccc(CCC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 96098076 KHTWVYOZQVSUJB-AWEZNQCLSA-N 311.403 1.273 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@@H]1CSc2ccccc21 92237629 YJARHYAWNMTBCX-QMTHXVAHSA-N 309.412 1.952 0 40 DDAB Cc1nc(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)cs1 95973133 CCIDCDYIAOXGAA-GFCCVEGCSA-N 301.437 1.108 0 40 DDAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccncc1F 97101018 IAOSBBHMCFHGAR-UHFFFAOYSA-N 302.371 1.506 0 40 DDAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C3COC3)CC[C@@H]2O1 1615160073 XOZCKMJLZJRLIB-XOKHGSTOSA-N 304.390 1.729 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 1548448132 NBXJKFPIDZMLAM-JKSUJKDBSA-N 314.389 1.206 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 5020934 PICQEJDBZKDWOD-CQSZACIVSA-N 305.355 1.661 0 40 DDAB CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CCC[C@@]3(COC3=O)[C@H]12 1772591723 MGKXQDVWRGLKTM-UTJXIGIESA-N 320.341 1.525 0 40 DDAB CC[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CCC(=O)O 13566779 NCOXAJFQCFHNRM-JTQLQIEISA-N 306.318 1.354 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCCC3)C2=O)cc1 18077855 FOQHMILFFGWNTJ-AWEZNQCLSA-N 316.357 1.591 0 40 DDAB CC(=O)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19371609 VXZFZOFWTCDDNB-ZWKOTPCHSA-N 318.417 1.350 0 40 DDAB in-vitro O=C1CO[C@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]2N1 333788305 WYZIVWJMBXBWDB-RYUDHWBXSA-N 312.728 1.209 0 40 DDAB Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)N(C)C 7073617 ZVYWYNBJFLZEFO-NSHDSACASA-N 305.407 1.848 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccn(C)n2)C1 390831648 TVNCBAIRWWOLGM-LBPRGKRZSA-N 324.406 1.593 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)n1C 29755679 XFXURLBECPIDCQ-CQSZACIVSA-N 313.405 1.656 0 40 DDAB Cc1c(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)cnn1C 2037980703 FSMBXBGAXGDCQK-QGZVFWFLSA-N 320.437 1.188 0 40 DDAB COc1ccc(C(=O)Nc2c(N)nc(SC)[nH]c2=O)cc1 5081533 FMIDZGKASVPHFK-UHFFFAOYSA-N 306.347 1.335 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)NC1CCCCC1)c1ccco1 10330907 GYDSDAGOEBQMIX-ZDUSSCGKSA-N 307.394 1.447 0 40 DDAB CCn1cc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cccn2)cn1 2055729690 WFHGKXRRIKYFQB-IXDOHACOSA-N 315.421 1.779 0 40 DDAB O=C(NCc1cccnc1-n1cncn1)c1cccnc1S 40108936 JLWWJDFRSLAEIE-UHFFFAOYSA-N 312.358 1.276 0 40 DDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(C)no2)C1=O 40487938 WLPYVPOGSLMDGH-HNNXBMFYSA-N 318.308 1.874 0 40 DDAB CC(=O)N1CCCN(CC(=O)Nc2nc(C)c(C)s2)CC1 40484972 QXQNAMWISBCNDH-UHFFFAOYSA-N 310.423 1.253 0 40 DDAB CCN(Cc1cccc(F)c1)S(=O)(=O)N1CCOCC1 40488234 ALRRXOCZACOGDV-UHFFFAOYSA-N 302.371 1.225 0 40 DDAB Cn1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1=O 31316877 YCPWUZNPMKDEHF-UHFFFAOYSA-N 312.373 1.311 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)NCCCn1cccn1 40504654 APVZOHCQJWFPET-UHFFFAOYSA-N 321.402 1.497 0 40 DDAB O=C(NC[C@H]1CCOC1)c1cn(-c2ccc(Cl)cc2)nn1 40514261 RFUFYUPYJYKHGB-SNVBAGLBSA-N 306.753 1.687 0 40 DDAB O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1CCO 20716411 VCTDQNOBMIAFNM-LLVKDONJSA-N 301.346 1.300 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12 211527 RUPZNUPURJUXKG-LLVKDONJSA-N 300.362 1.137 0 40 DDAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCN1C(=O)CCC1=O 29331286 JLVVKZCFMBVTKV-UHFFFAOYSA-N 314.345 1.060 0 40 DDAB Cc1sc2ncn(CC(=O)NC(=O)NC(C)C)c(=O)c2c1C 8312483 YTUPRVXKMGGMTM-UHFFFAOYSA-N 322.390 1.309 0 40 DDAB CC[C@@H](C)Oc1ccccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 102171517 FLJWLKKWDHAGSC-BXKDBHETSA-N 315.333 1.834 0 40 DDAB CC(C)(CNC(=O)Nc1ccc2c(c1)OCO2)N1CCOCC1 32869816 PUVMCXMRILATOV-UHFFFAOYSA-N 321.377 1.648 0 40 DDAB COCCNC(=O)CN1C(=O)[C@@H](C(C)C)Oc2ccccc21 4970692 XAPZQNAGQZQZNC-OAHLLOKOSA-N 306.362 1.199 0 40 DDAB Cc1ccccc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1N 4984938 WDTWSFINRZEGNC-NSHDSACASA-N 301.350 1.067 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1C 7400419 DKOFQRNJQAVTRJ-QGZVFWFLSA-N 315.373 1.962 0 40 DDAB Nc1nccnc1C(=O)Nc1cccc(N2CCCCC2=O)c1 32830618 FELSPRWJNLKVDW-UHFFFAOYSA-N 311.345 1.828 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1 32975458 ZVSVPSFTEXGFSA-BETUJISGSA-N 320.389 1.451 0 40 DDAB O=C(c1ccc(O)nn1)N1CCN(c2ccc(F)cc2)CC1 542340 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306.406 1.718 0 40 DDAB CCc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H]1CCCO1 40478653 XBFAXTGWLHVWMP-LBPRGKRZSA-N 315.373 1.254 0 40 DDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@@H]2O1 96066276 JUJAOAOJNVWUPM-BBWFWOEESA-N 322.449 1.419 0 40 DDAB CC(C)Cc1cc(-c2cn(CC3(CO)CCOCC3)nn2)n[nH]1 91656287 XOLWZZNEAGSTJX-UHFFFAOYSA-N 319.409 1.656 0 40 DDAB CNC(=O)C[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96217258 IMRSBNYSLNUVOL-HEHGZKQESA-N 318.373 1.141 0 40 DDAB COc1nc(C)ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 330300210 IIBGODBZRCUSBO-GXTWGEPZSA-N 318.373 1.609 0 40 DDAB COC[C@H]1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21 96044771 FXZGRZMHZSYPOB-LLVKDONJSA-N 305.403 1.797 0 40 DDAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC(=O)NC1 96451226 HXLBFNXNTFEODZ-PWSUYJOCSA-N 310.781 1.892 0 40 DDAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4nccs4)C3)C2)nc1 96047716 TUOGGBCLRAUXOH-IUODEOHRSA-N 317.418 1.779 0 40 DDAB c1ccc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)cc1 96185431 CCXNLURHYTZBJT-GBESFXJTSA-N 316.445 1.856 0 40 DDAB 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SVCAZUTWCHJQHO-UMVBOHGHSA-N 317.345 1.469 0 40 DDAB Cc1cccc(N2CCC[C@@H](NS(=O)(=O)c3cn[nH]c3)C2)n1 257333028 XZUBJQIHZFMILK-GFCCVEGCSA-N 321.406 1.060 0 40 DDAB CCc1ccc(CC(=O)N[C@@H]2Cc3ccccc3NC2=O)nc1 529945937 XRMUCUFBRCFADA-MRXNPFEDSA-N 309.369 1.866 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257269201 MOZNIBGNJWOIJF-LBPRGKRZSA-N 315.377 1.471 0 40 DDAB O=C(NCCn1nc([C@@H]2CCCNC2)c2cccnc21)C1CC1 257315823 VCXJBSUMXIPCMK-CYBMUJFWSA-N 313.405 1.425 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)C2(c3ccccc3)CC2)CCO1 257245616 IQIMKKMFGQGIOW-INIZCTEOSA-N 302.374 1.082 0 40 DDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575421562 JBNHYZFPLGGJTA-ZDUSSCGKSA-N 317.432 1.274 0 40 DDAB CCOC[C@@H]1CN(C)C2(C1)CN(C(=O)c1ccc(C)cn1)C2 585093798 GHZVGHBBZZGYSG-AWEZNQCLSA-N 303.406 1.573 0 40 DDAB COCC(=O)N1CCC2(CC1)CN(C)C[C@@H]2COCC1CC1 585102714 BJUJZYOPLMFBLD-OAHLLOKOSA-N 310.438 1.230 0 40 DDAB COc1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)cn1 56670961 ZSORCJSXHWHVOL-ZDUSSCGKSA-N 320.320 1.399 0 40 DDAB Cn1cc(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 58431050 ANRDQNVOAFPMDQ-UWVGGRQHSA-N 303.284 1.840 0 40 DDAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccnc1 62572908 TUUHDVOQMDXRGK-OAHLLOKOSA-N 309.369 1.860 0 40 DDAB O=C(Nc1ccccc1F)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549162064 MWYVLAZJDGQIFK-UHFFFAOYSA-N 319.336 1.986 0 40 DDAB O=C(N[C]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O 1560403792 DXGDLERMRTVOAT-UHFFFAOYSA-N 302.379 1.577 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 5795841 XOPGOFZASNHUKM-SECBINFHSA-N 309.370 1.808 0 40 DDAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)CC 13010202 XWFKKFFKRJFGBN-UHFFFAOYSA-N 315.329 1.758 0 40 DDAB CCOC(=O)Nc1nc2ccccc2n1CN1CCOCC1 13212116 ITFRRPFIXKPOES-UHFFFAOYSA-N 304.350 1.894 0 40 DDAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)c(F)c1 13957697 AZYMQIRGHTVSOW-HZSPNIEDSA-N 323.343 1.693 0 40 DDAB C[C@H]1CN(Cn2nc3c4ccccc4ncn3c2=O)C[C@@H](C)O1 19497569 IMOBZTXCAFETJW-TXEJJXNPSA-N 313.361 1.111 0 40 DDAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@](C)(C(N)=O)C1)n2C 19746845 MKUMTCQCAQKUQU-KRWDZBQOSA-N 315.373 1.203 0 40 DDAB Cc1nonc1CN(C)C(=O)CC1CCN(C(=O)C(C)C)CC1 19748258 KLANVWZJEDEASG-UHFFFAOYSA-N 322.409 1.621 0 40 DDAB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 169617536 GZMDFKKLXHSWDH-LZDSYCOUSA-N 313.309 1.608 0 40 DDAB O=C(NCCc1ccccn1)[C@@H]1CCCN(c2cnccn2)C1 32778305 ZUCNGCPOZOQCRW-CQSZACIVSA-N 311.389 1.447 0 40 DDAB O=C(N[C@H]1CCn2nccc2C1)c1cc(-c2cccnc2)on1 245026594 NBZANVAKTIQLBR-LBPRGKRZSA-N 309.329 1.678 0 40 DDAB CC(C)OCCCN[C@H](CC(=O)Nc1ccc(O)cc1)C(=O)O 4939551 SXETUFMGQPVCFH-CQSZACIVSA-N 324.377 1.579 0 40 DDAB CN1CCC[C@H](C(=O)N2CCc3nc4ncccc4cc3C2)C1 2298047903 FJPFTHLFCKLSPX-AWEZNQCLSA-N 310.401 1.856 0 40 DDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccco1 75156274 XKUJQFUMFZOYIM-HNNXBMFYSA-N 324.283 1.520 0 40 DDAB CC[C@H](C)NC(=O)Cn1cnc2cc(C(=O)O)ccc2c1=O 20004273 QIPVNUNLODYQHP-VIFPVBQESA-N 303.318 1.009 0 40 DDAB Cc1cc(C)n(CC(=O)NCCc2ccc3c(c2)OCCO3)n1 40474068 LWEXYYLWNUIQJF-UHFFFAOYSA-N 315.373 1.630 0 40 DDAB Cc1cnc2c(S(=O)(=O)NCCCC(N)=O)cccc2c1 40525006 JYGQKGAUALGGLK-UHFFFAOYSA-N 307.375 1.087 0 40 DDAB CN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1 40534723 VDKPRDDKHHEZFT-HWKANZROSA-N 303.181 1.468 0 40 DDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cn1 40512522 VSXWSHKPNWMBJL-JTQLQIEISA-N 302.309 1.551 0 40 DDAB CC(C)CNC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 20671519 VKSOKUBZOZWPTN-NSHDSACASA-N 321.352 1.755 0 40 DDAB O=C(NCc1cn2ccccc2n1)c1n[nH]c(=O)c2ccccc12 7945020 BZQLIJDVZMABDA-UHFFFAOYSA-N 319.324 1.501 0 40 DDAB CS(=O)(=O)c1n[nH]c(-c2ccc(Br)cc2)n1 268636 CCQNHHHQXYOSMJ-UHFFFAOYSA-N 302.153 1.638 0 40 DDAB C[C@@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 20938903 WGNOHSWMKMBAHI-CHWSQXEVSA-N 302.374 1.782 0 40 DDAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1-n1cnnn1 1341980 KVWWJTLHMXWBQG-UHFFFAOYSA-N 321.406 1.582 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(OC(F)F)cc1 7901675 IKHFKHRZFUBCOJ-SECBINFHSA-N 315.320 1.564 0 40 DDAB Cc1nsc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n1 76089217 XRTZGYBHXASBBI-UHFFFAOYSA-N 312.301 1.493 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2C2CCC2)CC1 102903560 PGBUPOBRQVOLNV-OAHLLOKOSA-N 322.453 1.171 0 40 DDAB O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H]1CCCC[C@@H]1CO 81633785 FYZYGVSMRIVZDY-TZMCWYRMSA-N 315.377 1.940 0 40 DDAB CCn1cc(Br)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)n1 2777582 NTCYXDULTGSMRM-RKDXNWHRSA-N 316.199 1.915 0 40 DDAB COc1cccc([C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c1 42010413 NBWOQZMIUGWYAL-OAHLLOKOSA-N 315.373 1.967 0 40 DDAB COCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 792554 NFHQBLNAFRLHLI-UHFFFAOYSA-N 309.347 1.954 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 42366693 XLEKUPMLKRDCEK-OLZOCXBDSA-N 316.361 1.030 0 40 DDAB NC(=O)CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1 9761953 WWWHTURGXNCGAQ-UHFFFAOYSA-N 305.768 1.029 0 40 DDAB CCn1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1 23338538 HEZAXOKANOBSKV-IAGOWNOFSA-N 306.454 1.714 0 40 DDAB CN(C)c1ncc(NS(=O)(=O)c2ccc3c(c2)CCO3)cn1 134004006 AQGFTCPCRCUZLZ-UHFFFAOYSA-N 320.374 1.278 0 40 DDAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(O)cc1 101964778 SABJRAZCMVQGKK-MWDXBVQZSA-N 304.342 1.610 0 40 DDAB COC[C@H](C)NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 70039114 WHIAMNXTLMEIIC-SMDDNHRTSA-N 323.368 1.655 0 40 DDAB CC[C@@H](CO)NC[C@H](O)COCC12CC3CC(CC(C3)C1)C2 27666059 FSGYTNOMFYRJPS-WRECPOHLSA-N 311.466 1.941 0 40 DDAB O=C(NCCO)c1ccc(Br)cc1Br 2061849 SUZIFZHZOBQURN-UHFFFAOYSA-N 322.984 1.934 0 40 DDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CC1CCCCC1 44715301 CKZKLDKBIQAWGR-HIFRSBDPSA-N 309.454 1.611 0 40 DDAB O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 58162512 APEVKDOSHKNGAL-QWHCGFSZSA-N 319.357 1.628 0 40 DDAB CC(=O)NCCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 44892520 NLWZKJUYPMLXQB-AWEZNQCLSA-N 322.409 1.242 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1C[C@H](C)O[C@H](C)C1)c1cccs1 44894194 PCZGGLYIKOWXDH-LOWVWBTDSA-N 310.419 1.951 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccs2)CCO1 25756436 ZSBAZIVKLDPLPU-GFCCVEGCSA-N 320.418 1.652 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 44934792 DJPGQMHXOKUBAG-CQSZACIVSA-N 312.373 1.770 0 40 DDAB Cc1cccc(C)c1OCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 58333258 RVHABHYLPBBBTC-CVEARBPZSA-N 318.417 1.662 0 40 DDAB COc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cn1 45114265 YJLWXXRNANJKQF-UHFFFAOYSA-N 324.340 1.747 0 40 DDAB CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(=O)n(C)n1 45398480 XQXDADGQRIRVBC-UHFFFAOYSA-N 301.346 1.451 0 40 DDAB CC(=O)NCCNC(=O)CN(C)Cc1ccc(C(C)C)cc1 11210741 VMNRALSTCUPYMK-UHFFFAOYSA-N 305.422 1.494 0 40 DDAB C[C@H](C(=O)N(C)CC(=O)Nc1cccc(F)c1)n1cccn1 28996055 UJRAOZHMASZRCO-LLVKDONJSA-N 304.325 1.680 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1nn(C)c(=O)c2ccccc12 48311769 DILZZFJXZKJDND-LBPRGKRZSA-N 315.373 1.432 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)CCOc2ccccc2)c1 12815360 ISDKNNNVCWBUEY-UHFFFAOYSA-N 320.370 1.742 0 40 DDAB COc1cccc(S(=O)(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 69440852 RLWIWRKHSGCCHK-STQMWFEESA-N 313.419 1.578 0 40 DDAB COCCCN1CCS(=O)(=O)c2c(F)c(F)nc(F)c21 13693503 NFSMCSNSJYLTBG-UHFFFAOYSA-N 310.297 1.129 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C)n1 69588789 GGDUCQKQLRXNCS-ZDUSSCGKSA-N 320.437 1.954 0 40 DDAB O=C(NCc1ccc(F)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5192140 FPEFAZHLHOVHKC-UHFFFAOYSA-N 313.288 1.286 0 40 DDAB Cc1nnc(SCCC(=O)Nc2ccccc2)n1CC(N)=O 69624144 NTHRXUOFVTVMMW-UHFFFAOYSA-N 319.390 1.193 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCC[C@@H]3Cn3cccn3)c2n1 69629213 GDCRUHUWAOSTOP-CYBMUJFWSA-N 310.361 1.539 0 40 DDAB NC(=O)COc1cccc(CN2CCC[C@@H]2Cn2cccn2)c1 69780177 PYICEHCPUVVIML-OAHLLOKOSA-N 314.389 1.412 0 40 DDAB COCCN1CCN(Cc2nnc(Cc3ccccc3)o2)CC1 69952042 FTEOBYHDVRQWQW-UHFFFAOYSA-N 316.405 1.424 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1Cn1cccn1 69950236 RGNBBVZAMUBWHD-CQSZACIVSA-N 316.409 1.337 0 40 DDAB C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(C)(C)C)on2)C[C@@H](C)O1 69928439 DZAAXWZAHVGQCI-NXEZZACHSA-N 309.366 1.546 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccc(OC)cc2[nH]1 6657614 IEYZMEJBPOXSDX-MRVPVSSYSA-N 322.390 1.898 0 40 DDAB CCCNC(=O)NC(=O)CNc1ccccc1N1CCCC1=O 15361491 TUTMNCNDJBIYBP-UHFFFAOYSA-N 318.377 1.461 0 40 DDAB CNC(=O)COc1ccccc1CNC[C@@H](C)Cn1ccnc1 67500381 XODCCDQYVKHOFP-CQSZACIVSA-N 316.405 1.434 0 40 DDAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CC1 7741156 BBKXKJDGLFPHNZ-LBPRGKRZSA-N 322.430 1.999 0 40 DDAB Cc1noc(N)c1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 16327048 LQYMBMMHLRNIFS-ZDUSSCGKSA-N 315.329 1.742 0 40 DDAB Cc1sc(NC(=O)C[S@@](=O)c2nncn2C)c(C)c1C 78987482 DCJZJSHNCJRSLC-FQEVSTJZSA-N 312.420 1.548 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2cn(-c3ccccc3)nn2)cn1 71796806 MYAAAZCNBOTXQB-MRXNPFEDSA-N 322.372 1.978 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CC[C@H](N(C)C)C1 93990115 HISVCSOJQHCGRM-CFVMTHIKSA-N 303.406 1.404 0 40 DDAB CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC(=O)N(C)C1 96415428 BRXTZIMPQZQNKK-HUUCEWRRSA-N 303.406 1.928 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@@H](C(C)C)N2CCCC2)CC1 72268886 LDAJXPHLSFBRJO-JKSUJKDBSA-N 311.470 1.022 0 40 DDAB O=C(Cn1cnnn1)N[C@@H]1CCc2c1ccc(Cl)c2Cl 72282016 PDQWRBQQWMAXGB-SNVBAGLBSA-N 312.160 1.784 0 40 DDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 72285771 GGCYPDIYVNEMKL-AWEZNQCLSA-N 301.394 1.790 0 40 DDAB CNS(=O)(=O)c1ccc(N(C)Cc2cnc(C)s2)nc1 71894073 FREOVGWGRKHZIA-UHFFFAOYSA-N 312.420 1.391 0 40 DDAB CCOc1ccc(C[C@H](CNC(=O)NC2CC2)C(N)=O)cc1 71826943 DBJORRJBKRAWHB-GFCCVEGCSA-N 305.378 1.191 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@H]1Cn1cccn1 71865353 WPFXVHZQZOXGIO-ZIAGYGMSSA-N 322.434 1.186 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)[C@H](C)n2ccnc2)c(C)nn1C 72234409 KCVYOAIXFKKHNA-STQMWFEESA-N 317.393 1.858 0 40 DDAB COCCn1nc(C)c(CNc2cc(C)nc3ncnn23)c1C 97160087 NULFTYOXUABSFJ-UHFFFAOYSA-N 315.381 1.505 0 40 DDAB CCOc1ncnc2c1CN(Cc1nc(C3CC3)no1)CC2 97202021 XAXUZVOKQHVMGG-UHFFFAOYSA-N 301.350 1.694 0 40 DDAB Cc1ccc(/C=C/C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)o1 79053708 JLNAXJJKWXHODA-FYCOFBDGSA-N 320.389 1.601 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)NC[C@H]3CCC[C@@H]3O)cc21 95441155 WNYXPZBZFUYBLO-CJNGLKHVSA-N 324.446 1.508 0 40 DDAB CCNC(=O)N[C@H]1CN(Cc2ccccc2N(C)C)C[C@@H]1OC 95405140 ZQNYEKBJFRCSJE-HOCLYGCPSA-N 320.437 1.271 0 40 DDAB O=C(CN1CCOC[C@@H]1[C@@H]1CCCC1=O)Nc1cccc(F)c1 95945698 JOZPKWMSINULKY-LSDHHAIUSA-N 320.364 1.834 0 40 DDAB CCNc1nc(C(=O)N2CCC(n3ccnn3)CC2)cs1 95979322 AORZQJIDTOIIHI-UHFFFAOYSA-N 306.395 1.644 0 40 DDAB Cn1cc(CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)cn1 95988874 OHWKUZYJZNMRJD-MRXNPFEDSA-N 314.389 1.573 0 40 DDAB COC(=O)c1cc2[nH]ncc2cc1I 89197097 DGCPPOUSEIOSMG-UHFFFAOYSA-N 302.071 1.954 0 40 DDAB in-vitro CCc1oc(C(=O)OC)cc1Cn1nc2ccccn2c1=O 89280277 ICHPKMBSDZIXRF-UHFFFAOYSA-N 301.302 1.486 0 40 DDAB CC(C)NC(=O)CNc1ccc2nnc(C(F)(F)F)n2n1 9953915 ZNHIBTFRWVOKMA-UHFFFAOYSA-N 302.260 1.080 0 40 DDAB CCCNC(=O)CN(CCO)c1ccc(Br)cc1 89960183 WFODUIQALWYGCO-UHFFFAOYSA-N 315.211 1.774 0 40 DDAB COCCCNC(=O)[C@@H]1CCc2[nH]nc(-c3cnn(C)c3)c2C1 306144780 ZOJFQMZQDPJXEO-LLVKDONJSA-N 317.393 1.068 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2OC[C@@H](CN3CCCC3)[C@H]2C1 306141061 VKNVVRDRJFUFCL-DJIMGWMZSA-N 305.422 1.834 0 40 DDAB COc1ccc(C(=O)N[C@H](C)C(=O)NC2CCCC2)c(OC)c1 60354130 PEARZALISWBZCS-LLVKDONJSA-N 320.389 1.881 0 40 DDAB Cc1ncccc1CNS(=O)(=O)N1CCc2ccccc2C1 528530961 DFCLCOGTQJODPC-UHFFFAOYSA-N 317.414 1.783 0 40 DDAB CCN(C(=O)CN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392905 ZERGXOGGBVDSNZ-HNNXBMFYSA-N 319.405 1.595 0 40 DDAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(O)cc1 35882829 SABJRAZCMVQGKK-QAETUUGQSA-N 304.342 1.610 0 40 DDAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 32913261 JVNQLGCHMQUHRZ-OAHLLOKOSA-N 318.421 1.872 0 40 DDAB Cc1nonc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 72264856 DSHAINLOVTXANJ-UHFFFAOYSA-N 304.325 1.475 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@@H]1CNC(=O)OCc1ccccc1 79412648 FPBNNERSUMQJAK-GXTWGEPZSA-N 305.378 1.251 0 40 DDAB O=C(O)CCc1ccc(S(=O)(=O)NCc2cccnc2)cc1 223256063 CNXQNQVBAVPHFV-UHFFFAOYSA-N 320.370 1.577 0 40 DDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 568398395 XAAROMJOGXAYNQ-VXGBXAGGSA-N 304.350 1.496 0 40 DDAB Cn1cccc1C(=O)N1CCN(c2cc(C3(C)CC3)n[nH]2)CC1 225424913 PKKCQQPNWRRZPL-UHFFFAOYSA-N 313.405 1.762 0 40 DDAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCOCC3)c2c1 225756753 LITVTZSIFRGQLT-UHFFFAOYSA-N 300.358 1.477 0 40 DDAB CS(=O)(=O)N[C@@H](CC(=O)N1CCCC1)c1ccc(F)cc1 225946960 VGUNFZCFVFOAAK-ZDUSSCGKSA-N 314.382 1.429 0 40 DDAB O=C(c1n[nH]c2c1CCCC2)N1CCC(NCC2CC2)CC1 195542985 CADZZSZGRITOGR-UHFFFAOYSA-N 302.422 1.893 0 40 DDAB Cc1csc(NC(=O)c2ccc(-n3ccnc3C)nn2)n1 75163836 PDCRVDPBWJHRBG-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)n1 96070638 WVIDNAWNMYOJAD-QJPTWQEYSA-N 305.407 1.922 0 40 DDAB O=C(N1CCCC1)N1CCn2c(Cn3cccn3)cnc2C1 96201127 UOVWIBGAHICORA-UHFFFAOYSA-N 300.366 1.159 0 40 DDAB O=C(c1ccncc1)N1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 96072263 KOMCCKCZMHLXPS-NVXWUHKLSA-N 302.374 1.882 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]1CN(C)CCN1C 96449560 AOOYNOOEPMDWOA-UKRRQHHQSA-N 323.412 1.345 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2S(=O)(=O)C2CC2)N1c1ccsc1 96094446 NOWVXJGKVDZTQE-NWDGAFQWSA-N 312.416 1.420 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H](O)c1ccco1 96025961 PENNMHVIPDBOKO-NSHDSACASA-N 313.379 1.032 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96184450 CFLBMQWPTBUHOZ-CVEARBPZSA-N 303.406 1.730 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)Nc2ccc(-n3cncn3)cc2)C1 96426080 HFCOKMFPRNZCFJ-LBPRGKRZSA-N 321.406 1.656 0 40 DDAB O=C(c1cnccn1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365415 ZCSYCHAKDVOYNY-ZDUSSCGKSA-N 317.370 1.165 0 40 DDAB Cc1nc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)oc1C 96410351 VYLZMRWKJQRSKY-UHFFFAOYSA-N 314.389 1.713 0 40 DDAB NC(=O)CSCC(=O)Nc1cc(-n2cccc2)ccc1F 96411221 ZRCXIWKLWUXNRN-UHFFFAOYSA-N 307.350 1.773 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 245344186 XZFMXQUWWTXRPO-AAVRWANBSA-N 316.467 1.708 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1O)c1cscn1 257209355 BQBUEJJVFBQTJK-TZMCWYRMSA-N 303.387 1.118 0 40 DDAB Cc1ncoc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257312833 UPTJURJNVOISED-CYBMUJFWSA-N 316.361 1.658 0 40 DDAB Cc1n[nH]cc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257291040 QFIIYKCPOJFDON-CQSZACIVSA-N 303.366 1.047 0 40 DDAB Cc1ccc2c(CC(=O)N3CC[C@](O)(CN(C)C)C3)coc2c1 257307886 TUNBNGWSJFTSGU-SFHVURJKSA-N 316.401 1.809 0 40 DDAB Cc1cnc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)cn1 257247636 IZWPWEWFVGDMDJ-FAYQHZLMSA-N 300.406 1.872 0 40 DDAB O=C(c1c(F)cccc1F)N1CCO[C@H](c2cnccn2)C1 257278385 OCBBHBOSEHXDSK-ZDUSSCGKSA-N 305.284 1.969 0 40 DDAB CC(=O)N1CC2(CCN(Cc3cc[nH]n3)CC2)C[C@H](O)C1(C)C 257211422 BYUJHQDUKWSGGQ-HNNXBMFYSA-N 320.437 1.384 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cc(C)no2)C1 257311363 UJBRBNUQNSWIHX-GFCCVEGCSA-N 315.377 1.910 0 40 DDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccs1)C2 585102720 BVSNDMUXIXLEKP-GFCCVEGCSA-N 315.460 1.774 0 40 DDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@H]3OCC[C@H]32)c1 585108878 BCJMCPSJLZIBKH-ARFHVFGLSA-N 316.401 1.621 0 40 DDAB C[C@H]1Cc2cc(C(=O)NC3(CC(=O)O)CCOCC3)ccc2O1 851597445 UTONZYPDCYGINK-NSHDSACASA-N 319.357 1.764 0 40 DDAB COC(=O)CCCNC(=O)[C@@H]1CCCN(c2ccccn2)C1 47815879 VVHFUDNODCAKHU-CYBMUJFWSA-N 305.378 1.367 0 40 DDAB COc1cc(NS(=O)(=O)N(C)C)ccc1Br 96447410 NOJWMKAEQKCJFR-UHFFFAOYSA-N 309.185 1.676 0 40 DDAB Cn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 558071 VYPMPXZTHQAADK-UHFFFAOYSA-N 316.546 1.878 0 40 DDAB CC1(C)COC(=O)[C@@H]1OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 78768554 PPTZPYYJOIRUKI-RISCZKNCSA-N 317.341 1.534 0 40 DDAB COc1cc(OC)c2ccc(=O)oc2c1C[C@H](O)C(C)(C)O 338233 JVCJUTNJQMKKCK-ZDUSSCGKSA-N 308.330 1.485 0 40 DDAB biogenic,in-vitro O=C([C@H](O)C1CCCCC1)N1CCC[C@@H]1c1ccc(O)nn1 530077287 BRVBEDITNMCJND-UKRRQHHQSA-N 305.378 1.787 0 40 DDAB Cn1cc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)cn1 643914880 YJKQLAZGKOQPBB-INIZCTEOSA-N 305.353 1.575 0 40 DDAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCC(N)=O)C1=O 7201285 NXQUVTGZCYJVKS-KRWDZBQOSA-N 311.341 1.482 0 40 DDAB Cc1ccn(CCC(=O)N2CCO[C@@H](c3ccncc3)C2)n1 1848357231 DPRQHASZNKCFGN-OAHLLOKOSA-N 300.362 1.577 0 40 DDAB CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2ccccn2)s1 1848352495 KVXJRGHIVRKBEJ-LLVKDONJSA-N 316.386 1.875 0 40 DDAB Cc1cc(C(=O)NC2CN(c3ncnc4ccsc34)C2)no1 1776009608 LZJXTNUXGCIEMZ-UHFFFAOYSA-N 315.358 1.606 0 40 DDAB Cn1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1=O 40496664 WVBBOZDKBIPZFU-AWEZNQCLSA-N 315.373 1.545 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 40464623 HAURBGUYDKSTJP-FMIVXFBMSA-N 308.403 1.588 0 40 DDAB C[C@@H]1CN(CCn2ccnn2)CCN1Cc1ccncc1F 2086903804 JOZONSNEJCPOGJ-CYBMUJFWSA-N 304.373 1.019 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)CC1(O)CCC1)CC2 1565544072 FUVJOPPRFXUCED-UHFFFAOYSA-N 308.422 1.543 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 1565546172 WJXKWKUCGDVGEF-UHFFFAOYSA-N 304.394 1.671 0 40 DDAB Cc1cc(CN2CCC[C@](C(=O)N(C)C)(n3ccnc3)C2)no1 2055771882 GRKVQKUAGFOFEW-INIZCTEOSA-N 317.393 1.259 0 40 DDAB O=C(Cn1ncccc1=O)N1CC[C@@H](n2cnc3ccccc32)C1 575616995 MAOQTDLDQLNFHX-CYBMUJFWSA-N 323.356 1.067 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(O)C=CCCC1 606440391 KHIBWJYFFCRJBU-KRWDZBQOSA-N 306.406 1.581 0 40 DDAB Cc1nn(CC(N)=O)c(=O)c2c1cnn2-c1cccc(Cl)c1 13970623 KBMZYLYTWBCMLX-UHFFFAOYSA-N 317.736 1.029 0 40 DDAB C[C@@H](NC(=O)c1ccsc1)c1cccc(S(N)(=O)=O)c1 40215776 CBGKUNXESLPABA-SECBINFHSA-N 310.400 1.887 0 40 DDAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 31613237 XXXUSGLQVIKSLI-GFCCVEGCSA-N 320.414 1.631 0 40 DDAB Cc1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)n(C)n1 40514111 KXNAWXFSZHQSHP-ZDUSSCGKSA-N 315.377 1.775 0 40 DDAB NC(=O)[C@@H](NCc1cnc(N2CCCC2)nc1)c1ccccc1 51187769 SYGRFKLUOMIVKE-HNNXBMFYSA-N 311.389 1.393 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)s1 101765628 XTVVQBXYXJIRIA-MRBYEJRBSA-N 301.433 1.742 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H]2CCNC2)ccc1Br 52093357 NCLCTLLWVJRQLE-SECBINFHSA-N 319.224 1.398 0 40 DDAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ncccn2)CC1 102347101 FSRZQVBKGFMZNG-IHRRRGAJSA-N 317.462 1.662 0 40 DDAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 6680224 DZGXWMAJOXSBEO-UHFFFAOYSA-N 318.405 1.102 0 40 DDAB C[C@H]1c2ccsc2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O 52568202 GVUXKYRALVYJLV-WPRPVWTQSA-N 307.375 1.182 0 40 DDAB O=C(NCCNc1nc2ccccc2s1)c1ccc(O)nn1 29803030 HULFZKJIAVXSPH-UHFFFAOYSA-N 315.358 1.634 0 40 DDAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(C(C)=O)CC2)cc1 37185785 PNWLCAMKRNEUKY-CYBMUJFWSA-N 303.406 1.740 0 40 DDAB O=C(NC[C@@H]1CCOC1)c1ccc(Cn2ccccc2=O)o1 41369190 NUFGUYYFFZNSIM-LBPRGKRZSA-N 302.330 1.256 0 40 DDAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCOCC1 22461936 FXJTYTQOQYXEFS-UHFFFAOYSA-N 322.368 1.952 0 40 DDAB CS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1 12197369 XUWPCOCGOJNTGZ-GFCCVEGCSA-N 312.391 1.101 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccn1 9886528 WEYUBBUCRBQAHA-UHFFFAOYSA-N 300.270 1.606 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1 22696183 LGJBPBMGQZLHRV-ZDUSSCGKSA-N 303.406 1.423 0 40 DDAB C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1N1CCOCC1 76053435 DSNPBDBNRWQVIW-NVXWUHKLSA-N 314.429 1.897 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 107785800 FXMJPEOGBTYNMF-NVXWUHKLSA-N 313.405 1.661 0 40 DDAB COc1ccccc1[C@H](O)CNc1ncc(C(N)=O)cc1Cl 54058909 CGHXGAOGUCCADE-GFCCVEGCSA-N 321.764 1.988 0 40 DDAB C[C@H](NC(=O)NCCc1cn2ccccc2n1)[C@H]1CCCO1 42325222 UOXKDBRRBHTFJY-GXTWGEPZSA-N 302.378 1.744 0 40 DDAB CCCOc1ccc(OCC(=O)N[C@@H]2CCCCNC2=O)cc1 42476641 ZTMHRYRJCIVKLZ-OAHLLOKOSA-N 320.389 1.639 0 40 DDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2cccs2)CC1 54547005 RMXGWGXSJNFBQF-UHFFFAOYSA-N 323.462 1.811 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccnc1-n1cccn1 25012546 FPOLPJAFAVJHSY-NEPJUHHUSA-N 313.361 1.368 0 40 DDAB CC(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 55529094 VRHHRKUVUKLAEB-UHFFFAOYSA-N 314.307 1.939 0 40 DDAB COC(=O)[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(C)C 61722093 BRRQWBLTGGRKCD-AWEZNQCLSA-N 320.393 1.111 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN([C@H](C)c3cccnc3)C2)C1=O 107322940 ZEAMHMUYOUHSAD-WBMJQRKESA-N 302.378 1.547 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n[nH]1 78901464 JLKJVASIJLCPAR-VXGBXAGGSA-N 302.378 1.571 0 40 DDAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 108125371 UYYYGXBKVYYPJS-SUNKGSAMSA-N 313.444 1.853 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107264696 AJEZUJFIPAPFIM-YESZJQIVSA-N 324.384 1.705 0 40 DDAB Cc1noc([C@@H](C)N2CCC(C(=O)N3CCOCC3)CC2)n1 44584665 HUZYQKMUTMLOGA-LLVKDONJSA-N 308.382 1.010 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2cnccn2)N2CCOCC2)o1 44891832 URDCOZIUORPFCK-CQSZACIVSA-N 316.361 1.181 0 40 DDAB COC(=O)c1occc1CN1C(=O)c2ccccc2S1(=O)=O 58201440 ULJAAZWRVYNXFM-UHFFFAOYSA-N 321.310 1.411 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCC(CN2CCOCC2)CC1 36103428 HVFOCVFCPICRNN-UHFFFAOYSA-N 320.408 1.939 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O 44969480 NKDRQRKLDIHWAN-DTWKUNHWSA-N 303.355 1.445 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NCCc1ccc2c(c1)OCO2 44951995 FLHLBUMYFDJDCI-LBPRGKRZSA-N 316.361 1.542 0 40 DDAB O=C(c1ccsc1)N1CCN(Cc2nnnn2C2CC2)CC1 44976202 XFVPHHILPXGTDE-UHFFFAOYSA-N 318.406 1.028 0 40 DDAB CCN1CCC[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 58368265 YBFLKAIGFGEEPY-QGZVFWFLSA-N 303.450 1.967 0 40 DDAB COc1c(CNCCNC(=O)c2ccccc2)c(C)nn1C 58428941 DZANBHYEROQFHG-UHFFFAOYSA-N 302.378 1.257 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1nnc2n1CCCCC2 48286946 IPWFWSOLUWZERG-ZDUSSCGKSA-N 321.425 1.573 0 40 DDAB Cc1ccn2cc(C(=O)N3CCC(CC(N)=O)CC3)nc2c1 48234858 FWCWQTXYLKDNDR-UHFFFAOYSA-N 300.362 1.370 0 40 DDAB C[C@@H](OCCCNC(=O)c1nccnc1N)c1ccccc1 12792823 OZGAQNQCWWVPPP-GFCCVEGCSA-N 300.362 1.957 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CCCC1)C2=O 3563738 UGCSRCVCRIDVOO-MEDUHNTESA-N 307.394 1.546 0 40 DDAB O=C(CN1CCCCCC1)NC(=O)Nc1ccc2c(c1)OCO2 8119160 MJDCDHWKJHJUPP-UHFFFAOYSA-N 319.361 1.939 0 40 DDAB O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 69195209 TUDZUKGKPMPIDA-ZJUUUORDSA-N 316.345 1.274 0 40 DDAB CC[C@@](C)(NC(=O)[C@@H](C)NC(=O)c1cccs1)C(=O)OC 69416779 ISFIKWRUIXJDEQ-YMTOWFKASA-N 312.391 1.324 0 40 DDAB CCO[C@H](C(=O)N1CCn2c(CC)nnc2C1)c1ccccc1 69484749 CGQXENRDWBKISJ-INIZCTEOSA-N 314.389 1.961 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CCCc3ccccc32)[C@@H](C)CO1 69489814 JZOMRIUSLFUYLS-KBPBESRZSA-N 316.401 1.992 0 40 DDAB C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)C[S@]1=O 5211687 VEEBJNZFWLENSG-SKLCBMLGSA-N 316.176 1.460 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccccn2)c1 65411491 GAVHNXODOQRWSA-ZDUSSCGKSA-N 317.345 1.954 0 40 DDAB CC(=O)NCCCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 65419154 QTTRUFCXBUVSKA-LLVKDONJSA-N 321.377 1.344 0 40 DDAB Cc1cccc2nc(CN3CCO[C@H](Cn4cccn4)C3)cn12 69569675 QOVZTPRSIJMHJO-INIZCTEOSA-N 311.389 1.740 0 40 DDAB C[S@](=O)c1nncn1-c1nccc(Oc2ccc(F)cc2)n1 69976838 BHKYFHKMEYYORZ-JOCHJYFZSA-N 319.321 1.726 0 40 DDAB CCn1cc(-c2ccccc2Cl)nc2c(=O)n(C)c(=O)nc1-2 4785128 PWFGDHBSOWIWOK-UHFFFAOYSA-N 316.748 1.782 0 40 DDAB Cc1ccc(-c2noc(CNC[C@@H]3CN(C)CCO3)n2)cc1F 69665198 GDKIIPRTTZUHRV-CYBMUJFWSA-N 320.368 1.604 0 40 DDAB O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)N1CCOCC1 67317049 MWMLQDTYTMKAFJ-UHFFFAOYSA-N 320.317 1.547 0 40 DDAB C[C@H]1CCCN(C(=O)NCC(=O)N(C)CCc2ccccn2)C1 67468900 MJRGKCWSWDPFEW-AWEZNQCLSA-N 318.421 1.524 0 40 DDAB COc1cccc(-c2nnn(CC(=O)N3CCCCCC3)n2)c1 15554736 UNZFQTDXMARFKU-UHFFFAOYSA-N 315.377 1.751 0 40 DDAB O=C1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2N1 15717306 USXILDCNNSZXSB-UHFFFAOYSA-N 312.354 1.924 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)N(C)C 15736117 ZRGDICZKJYKLMW-LBPRGKRZSA-N 312.391 1.363 0 40 DDAB C[C@@H](OC(=O)c1sccc1C1CC1)C(=O)N1CCNC1=O 96999676 WWCTWTFMHSQRDA-MRVPVSSYSA-N 308.359 1.723 0 40 DDAB NC(=O)[C@H](CNC(=O)c1ccncc1)Cc1ccc(F)cc1 71826751 RLJVYBFHOBYBIL-ZDUSSCGKSA-N 301.321 1.295 0 40 DDAB CC1(C)COCCN1C(=O)CCc1nc(-c2ccncc2)no1 71830848 WKCOTYAFDYHOCD-UHFFFAOYSA-N 316.361 1.702 0 40 DDAB CN(C)CCC1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 71841816 XHFUUGBPUZDADI-UHFFFAOYSA-N 304.438 1.952 0 40 DDAB NC(=O)CN(C(=O)Cc1ccc2c(c1)CCC2)C1CCCC1 71821103 CJDSRYMNHVLTSZ-UHFFFAOYSA-N 300.402 1.974 0 40 DDAB C[C@H]1CCC[C@H](OCC(=O)NCCCn2ccccc2=O)C1 71903028 RNLKKICVCRNJDC-GJZGRUSLSA-N 306.406 1.950 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(C)C)o1 72271478 NIZRUQZGOUSUOH-JTQLQIEISA-N 301.364 1.875 0 40 DDAB O=C(C[C@@H]1COCCN1)N1CCC2(CCc3ccccc32)CC1 72120723 WPWJOULTXLBCLD-MRXNPFEDSA-N 314.429 1.872 0 40 DDAB Cc1cc2ccccc2n1CC(=O)N1CCc2nnc(N)cc2C1 72279454 AZFTUCNRBVRMKY-UHFFFAOYSA-N 321.384 1.907 0 40 DDAB Cn1nccc1CNc1cccc(CN2CCC(O)CC2)c1 72310913 UTXJUDUOMIQPQU-UHFFFAOYSA-N 300.406 1.989 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2ccc(Cl)nc2)C1 72344080 TYAWHIGCCVVWCZ-NSHDSACASA-N 303.815 1.406 0 40 DDAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCCCO 84409248 YWHOTRKUEQTWGE-ZDUSSCGKSA-N 314.332 1.218 0 40 DDAB CC(C)[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)c2ccccc2N1 84456627 YAMLLJMQWDKYJG-HOCLYGCPSA-N 303.406 1.800 0 40 DDAB CCN(CC)C(=O)C[S@@](=O)Cc1cn2c(C)cccc2n1 95440992 NSYXYPAIMCPIII-OAQYLSRUSA-N 307.419 1.760 0 40 DDAB CC(C)N1CC[C@H](Oc2ccc(C(=O)NC3CC3)cc2)C1=O 95406511 YTUSRSZNIQPYAV-HNNXBMFYSA-N 302.374 1.967 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)c(C)c1 95432034 OAXWQTDWLCBVKW-HNNXBMFYSA-N 320.414 1.982 0 40 DDAB CN(C)c1nc(Cn2cc(C(F)(F)F)ccc2=O)ns1 89326887 BZIQKOSOCFSFEM-UHFFFAOYSA-N 304.297 1.833 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(=O)[nH]1 75118543 IOKGJIXRNCJOBO-HNNXBMFYSA-N 317.364 1.855 0 40 DDAB NC(=O)c1cccc2c1CCCN2C(=O)c1cnc2n1CCCC2 89774295 USAJYDHFPZFLQW-UHFFFAOYSA-N 324.384 1.911 0 40 DDAB NS(=O)(=O)c1cccnc1NCc1cccc2cccnc12 89808009 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O=C(Nc1ccon1)C(=O)N1CCCC[C@@H]1c1nccs1 127109408 YDGCZQHWJATANK-SECBINFHSA-N 306.347 1.823 0 40 DDAB CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N 79391265 NBINUTNWAMSZOJ-QWHCGFSZSA-N 313.442 1.829 0 40 DDAB Cc1cc(-n2ccnc2)nc([C@H]2CCCCN2S(C)(=O)=O)n1 72360672 RFTCPCLHNRNKGG-GFCCVEGCSA-N 321.406 1.457 0 40 DDAB COC[C@@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218406472 OPPUZBNOEFEWEZ-GVXVVHGQSA-N 318.778 1.568 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 32947788 AVVZKRPKXWWWQN-ZDUSSCGKSA-N 317.389 1.765 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79410031 FAJVZULETJMUQB-AGIUHOORSA-N 313.442 1.922 0 40 DDAB CC(C)(C)OC(=O)NCC(=O)N1CC2(COC(C)(C)OC2)C1 70971952 COCLMUVUBHPEHP-UHFFFAOYSA-N 314.382 1.123 0 40 DDAB Cc1cc(F)ccc1NC(=O)C(=O)NCCc1ccccn1 42646232 DZVJJKZAIUEFQF-UHFFFAOYSA-N 301.321 1.827 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 195544815 ZYGQRNMXWSEWCO-CABCVRRESA-N 318.352 1.036 0 40 DDAB CC(C)(C)OC(=O)N1CCc2nc([C@@H]3CCCN3)nc(N)c2C1 226077022 LSOPLHVKFWBXKF-LBPRGKRZSA-N 319.409 1.777 0 40 DDAB COc1cccc2c(N3C[C@@H](CO)[C@H](CO)C3)cc(C)nc12 528108045 HJWVZAGXWSKNEY-STQMWFEESA-N 302.374 1.589 0 40 DDAB C[C@H]1CO[C@@H](CO)CN1Cc1cnn(Cc2ccc(F)cc2)c1 225478280 JLNAMKAXDAGESW-SUMWQHHRSA-N 319.380 1.652 0 40 DDAB Cc1ncc2n1C[C@H](C(=O)NCc1nnc(C3CC3)s1)CC2 569108335 KCWRJWWCXFFDSA-LLVKDONJSA-N 317.418 1.799 0 40 DDAB CCO[C@@H]1C[C@](NC(=O)c2cc(C3CC3)[nH]n2)(C(=O)O)C1(C)C 193042811 QSHGSGVMQNIUJH-WBMJQRKESA-N 321.377 1.675 0 40 DDAB COc1ccccc1C1(CNC(=O)CN2CCOCC2)CCC1 41567122 QISJFJSEYPSOMF-UHFFFAOYSA-N 318.417 1.565 0 40 DDAB Cc1cc(C(=O)NCC2CCN(c3ncccn3)CC2)no1 43976723 UVCUVCSYLLEMOL-UHFFFAOYSA-N 301.350 1.419 0 40 DDAB CCOC(=O)c1ccc2c(c1)c(=O)cc(C)n2Cc1nnn[nH]1 40175745 OOGYAIXJRPMPNI-UHFFFAOYSA-N 313.317 1.048 0 40 DDAB CC(=O)N1CCN(Cc2cccs2)C[C@@]2(CC(=O)N(C)C2)C1 96036033 XYKBQWJSRMAVMJ-INIZCTEOSA-N 321.446 1.261 0 40 DDAB C[C@@H]([C@@H](C)NC(=O)NC1Cc2ccccc2C1)N1CCOCC1 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DDAB CNC(=O)Cc1noc(-c2cc(C)nc3c2cnn3C(C)C)n1 96469564 AAUJIROBZVLPOU-UHFFFAOYSA-N 314.349 1.659 0 40 DDAB Cc1noc(C)c1CN1CCn2c(Cn3cncn3)cnc2C1 96201135 IFZPNYOFNNJMNN-UHFFFAOYSA-N 313.365 1.144 0 40 DDAB O=C([C@H]1CN(Cc2ccoc2)Cc2ccnn21)N1CCCCO1 247875335 SVDDZKNOHMUVQU-OAHLLOKOSA-N 316.361 1.587 0 40 DDAB COc1cccc(CC(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)c1 257220724 DLWQTIOWYBNLDH-RDJZCZTQSA-N 305.374 1.380 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2Cc2cnn(C)c2)n1 257317752 VKZANXFWRJTLBD-INIZCTEOSA-N 300.410 1.609 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)CCc2ccc(F)cc2)CCO1 257223588 DYABDQNEFHESOO-MRXNPFEDSA-N 308.353 1.122 0 40 DDAB O=C(Cc1ccccc1)N1CC2(CO[C@@H](Cc3cncnc3)C2)C1 257322712 WHBGPRVFFXWMQY-KRWDZBQOSA-N 323.396 1.879 0 40 DDAB O=C(C1CCOCC1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1 257307060 SXAYZFOTAYQIDK-OAHLLOKOSA-N 317.389 1.063 0 40 DDAB Cc1cc(C)cc([C@H](O)CNC(=O)NC[C@H]2CCCN(C)C2)c1 252490287 KNYZKEOMBYTCND-NVXWUHKLSA-N 319.449 1.978 0 40 DDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CC1CC1 257271342 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Cc1nn(C)c(Cl)c1C(=O)NCC(C)(C)N1CCOCC1 44896477 YTKDCMZRFGDOLH-UHFFFAOYSA-N 314.817 1.223 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NCc1cccnc1N(C)C 44954696 CLUZWCWZDGYZEH-GFCCVEGCSA-N 302.382 1.232 0 40 DDAB C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N1CCCC1 58193707 DISLLEATCKGLCZ-SECBINFHSA-N 318.345 1.254 0 40 DDAB CCOCCNC(=O)[C@@H](c1ccccc1)N1CCSCC1 69369419 MJWOXPNJLWNEIH-OAHLLOKOSA-N 308.447 1.929 0 40 DDAB O=C1CCSC[C@H](C(=O)Nc2nc3c(s2)CCCC3)N1 75171024 CUDAVCVCEQXQFW-SECBINFHSA-N 311.432 1.582 0 40 DDAB CC[C@@H](C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C 369417 RIAJOUMVELZYAY-RXMQYKEDSA-N 301.144 1.157 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)C1 71144587 HQTWYPOMVHYQMA-JTQLQIEISA-N 302.371 1.064 0 40 DDAB Cn1cc(C(=O)OCC(=O)N2CCCC2=O)c2ccccc21 5703532 FMJQKRVSOSPLFL-UHFFFAOYSA-N 300.314 1.484 0 40 DDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)Nc1ccon1)CS2 14035256 REFOAITTWJSGQE-SECBINFHSA-N 306.347 1.524 0 40 DDAB Cn1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)n1 19290869 RVZDZNUXZKCQQX-NSHDSACASA-N 323.356 1.286 0 40 DDAB Cc1ncc(CN2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 19750392 NANCBEKNKSHBNI-CQSZACIVSA-N 309.435 1.711 0 40 DDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1 19946034 FCXQICBGGRQVAL-UHFFFAOYSA-N 318.398 1.769 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 200048342 MRYWNUSDYDHMAO-LBPRGKRZSA-N 312.391 1.411 0 40 DDAB COCC(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 4909682 MZFGRTZOJYVVPN-UHFFFAOYSA-N 305.378 1.754 0 40 DDAB O=C(NCCN1CCCOCC1)NC[C@@H]1Cc2ccccc21 187018534 FTBIHXKKRHDDPO-HNNXBMFYSA-N 303.406 1.348 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 34916271 GMJOXNUWXVWJCD-DZGCQCFKSA-N 302.374 1.643 0 40 DDAB COc1ccc(C)cc1NC(=O)Cn1nc2ccccn2c1=O 30822283 OHZIOZVOMSMMPJ-UHFFFAOYSA-N 312.329 1.452 0 40 DDAB O=C(NCC1(O)CSCCSC1)c1c(F)cccc1F 1888856745 BLRVXOBXVOYHBO-UHFFFAOYSA-N 319.398 1.906 0 40 DDAB COCC(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@H]2C1 1888867141 ZTPLVJJFPNKZDE-CHWSQXEVSA-N 314.389 1.114 0 40 DDAB Cc1ccnc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1 1888881896 JRGOESZWASCHSC-UHFFFAOYSA-N 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311.432 1.805 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 32401358 IUMQLICAGJKGKR-UHFFFAOYSA-N 316.810 1.501 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1nccs1 4316871 CZMMEOJAXALCMI-UHFFFAOYSA-N 308.388 1.446 0 40 DDAB CC(C)c1nnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)s1 4392567 ILVLRRFWCBUEFI-MRVPVSSYSA-N 303.409 1.425 0 40 DDAB CC(=O)OCC(COC(C)=O)=C1N=C(c2ccccc2)OC1=O 4897402 WVENYDGENITAQP-UHFFFAOYSA-N 317.297 1.370 0 40 DDAB COc1ccc(NC(=S)NCC(OC)OC)c(OC)c1 477831 GKFXYLOYEBOORN-UHFFFAOYSA-N 300.380 1.609 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1O 102914489 GQPZQKLPMIYYSU-GHMZBOCLSA-N 300.314 1.282 0 40 DDAB COC(=O)C(=O)[C@@H]1CCCc2cc(OC)c(OC)cc2C1=O 104251090 LHNYPGAKDYRKCW-SNVBAGLBSA-N 306.314 1.581 0 40 DDAB c1nc(N[C@@H]2C[C@@H]3CC[C@@H]2O3)cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 102290751 REYVTHJIPMOLLX-FDFVQJQPSA-N 302.378 1.940 0 40 DDAB O=C(COCc1nc2ccccc2s1)NC[C@H]1CCOC1 41373253 NBHNKZQGQZBUHQ-LLVKDONJSA-N 306.387 1.966 0 40 DDAB CCCN(CCC)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 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307.346 1.726 0 40 DDAB O=C1CS[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 5010710 ADXAWKOSCUKSRY-WDEREUQCSA-N 301.364 1.071 0 40 DDAB Cc1cc(C)n(C2CN(CCS(=O)(=O)C(F)(F)F)C2)n1 69700271 QZPKZHBRNIPMSV-UHFFFAOYSA-N 311.329 1.291 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)Cc2cn3ccccc3n2)cn1 69708872 ANSXYJOJIPXVDN-OAHLLOKOSA-N 309.373 1.974 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)s1 69707210 MTYJQQMMAYCFJK-JTQLQIEISA-N 304.375 1.521 0 40 DDAB CCCc1cc(C(=O)N2CCCN(c3cccnn3)CC2)[nH]n1 69948043 HORUDYJAMBDSEA-UHFFFAOYSA-N 314.393 1.505 0 40 DDAB Cc1ccc2cccc(OS(=O)(=O)N3CCOCC3)c2n1 4335363 YOQBQEQZEMFUMA-UHFFFAOYSA-N 308.359 1.499 0 40 DDAB CC(C)Cc1cc(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)[nH]n1 65447609 GUMRSLNUBDTJRQ-BETUJISGSA-N 308.426 1.447 0 40 DDAB CN1CCc2ncnc(N3CCN(c4nccs4)CC3)c2C1 65478928 DNILWLMLORGQJQ-UHFFFAOYSA-N 316.434 1.248 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCO3)CC2 65541693 PYUIBNFHPFPPCR-NSHDSACASA-N 300.318 1.060 0 40 DDAB Cc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)OCO2 8709638 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CO[C@@H](C)c1cccc(NC(=O)NCCC(=O)NC(N)=O)c1 79111796 APSZTXAUSTUNDU-VIFPVBQESA-N 308.338 1.101 0 40 DDAB CCOC(=O)[C@H](Sc1nnc2nc(O)c(C)nn12)C(C)C 95414356 WWUYCOZIMLSLQL-MRVPVSSYSA-N 311.367 1.213 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)Nc2cnc(C(C)(C)C)nc2)C1 95955533 CCSJFHNMNSJMIO-LBPRGKRZSA-N 304.394 1.971 0 40 DDAB Cc1nc(CN2CCC(CNC(=O)[C@@H]3CCOC3)CC2)oc1C 89558317 NBBCAVOTEKVIJY-OAHLLOKOSA-N 321.421 1.656 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2CCN([C@@H]3CCOC3)CC2)c1 89618637 HTWXRAXVNYXEKS-MRXNPFEDSA-N 317.433 1.648 0 40 DDAB COCc1nc2ccccc2n1CC(=O)Nc1nc(C)n(C)n1 36752206 KRXZWXDYOLGJGA-UHFFFAOYSA-N 314.349 1.258 0 40 DDAB O=C(CCCn1cnnn1)Nc1ccc(OC(F)(F)F)cc1 524732993 JSZMECCVXAVISF-UHFFFAOYSA-N 315.255 1.991 0 40 DDAB O=C(N[C@H]1CCCc2c1cnn2-c1ccncc1)[C@@H]1CCCO1 71195900 BWBOKGCPPUAIID-HOCLYGCPSA-N 312.373 1.940 0 40 DDAB Cc1cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccn1 72366744 MMBZGQHZWICRME-AWEZNQCLSA-N 320.418 1.692 0 40 DDAB C[C@@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CCN(C)C1=O 73101778 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333505364 DHEIFNVJRRGTJC-LBPRGKRZSA-N 301.398 1.496 0 40 DDAB c1cnc(N[C@H]2CO[C@@]3(CCN(CC4CCOCC4)C3)C2)nc1 96047754 JIVXQNRSGGPCQW-WBVHZDCISA-N 318.421 1.549 0 40 DDAB Cc1nc(CN2CCn3c(Cn4cccn4)cnc3C2)cs1 96201096 JKFVIFVFRKPLCS-UHFFFAOYSA-N 314.418 1.909 0 40 DDAB CN1C(=O)CC2(CCN(C(=O)CCO)CC2)c2ccccc21 96243950 MYRDUVZFOXNAOL-UHFFFAOYSA-N 302.374 1.296 0 40 DDAB CCOCCCNC(=O)C(=O)NCc1ccc(OC(C)C)cc1 339561977 FUKBPWIPEKPEOO-UHFFFAOYSA-N 322.405 1.633 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC(c3nc(C)cs3)CC2)C1 96456385 NUULIFSCPNKZOH-IHRRRGAJSA-N 324.446 1.943 0 40 DDAB CN(C)C(=O)NC[C@@H]1CC12CCN(C(=O)c1ccco1)CC2 96238298 VBEQGHKIDYVFHM-LBPRGKRZSA-N 305.378 1.793 0 40 DDAB Cc1cccc(CN2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)n1 96185130 NYJTWVCKDTWXEL-BRWVUGGUSA-N 315.417 1.506 0 40 DDAB C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3nccs3)ncn2)C1 334020085 CNAQJWMQDYMXJG-VXGBXAGGSA-N 319.434 1.777 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)NC1CC1 96057283 FXPXARQPKCLKJH-CPUCHLNUSA-N 315.417 1.445 0 40 DDAB COCCN1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccs2)C1 96038799 NFPYHNZDHPMGEL-GDBMZVCRSA-N 324.446 1.492 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)N1CCCO1 96057301 NIAZGKSLUQWISD-FMKPAKJESA-N 320.389 1.528 0 40 DDAB O=C1CCCN1[C@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1 96208660 HUEQJHZWVUXFSI-FUHWJXTLSA-N 322.449 1.659 0 40 DDAB COc1ncccc1CN1CC[C@H]2[C@@H]1CCN2CCN(C)C 96184314 RHBSKZYEZKBUBK-HOTGVXAUSA-N 304.438 1.300 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc3ccccc3n1)CC2 95393649 KGULEFODPCEVGT-ZDUSSCGKSA-N 307.357 1.880 0 40 DDAB CCn1cc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)cn1 96445476 IBYNMRHAWMODRF-SPLOXXLWSA-N 305.403 1.753 0 40 DDAB Cc1cnc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1 96489950 ARSWDQOJXYFCRW-UHFFFAOYSA-N 308.389 1.984 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NC(=O)COCC(F)(F)F)CC2 97199016 FTFFAIQATYUYHD-VIFPVBQESA-N 320.315 1.411 0 40 DDAB CN(CC(=O)N1CCCCCc2ccccc21)S(C)(=O)=O 96425903 ISNYGDZQMUYAPQ-UHFFFAOYSA-N 310.419 1.637 0 40 DDAB Cc1nnc(C[C@H]2C[C@H]3CN(Cc4ccccn4)C[C@H]3O2)o1 96216591 OTGORWCLDPPAOK-NWANDNLSSA-N 300.362 1.605 0 40 DDAB Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1nccs1)C2 96198582 VVVOFILXWYPZIK-LBPRGKRZSA-N 319.434 1.798 0 40 DDAB CCn1ccc(C(=O)N2CCOC[C@H](Cc3cnccn3)C2)n1 257337601 YTMVUZZEALBVPO-CYBMUJFWSA-N 315.377 1.024 0 40 DDAB CC(=O)N1CCC(Cc2cc(N3C[C@H](C)OC3=O)ncn2)CC1 257245932 IRSQBTNWVWBRND-NSHDSACASA-N 318.377 1.623 0 40 DDAB CCn1nc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1C 257342767 ZQCBUSJFKBCRLG-GJZGRUSLSA-N 317.393 1.246 0 40 DDAB CC(=O)N1CCC(Cc2cc(N3C[C@@H](C)OC3=O)ncn2)CC1 257245931 IRSQBTNWVWBRND-LLVKDONJSA-N 318.377 1.623 0 40 DDAB COc1ccc(C(=O)N2CC[C@](O)(CN3CCCC3)C2)cc1F 257211452 BYXMIMNKDWMNDF-KRWDZBQOSA-N 322.380 1.507 0 40 DDAB COCC(=O)N1CCC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257336249 YNRBFGFFUHZTRE-CQSZACIVSA-N 314.389 1.899 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3ccnn3C)CCO2)n1 257270935 MWFXKFCCAKIQQJ-CQSZACIVSA-N 315.377 1.095 0 40 DDAB CO[C@@H]1CN(CC(=O)Nc2cc(C)ccc2F)C[C@]12CCCO2 257267735 MIOPBFZACOPSQI-NVXWUHKLSA-N 322.380 1.952 0 40 DDAB Cc1ccnc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257232258 GJZWVTDNRDFAMR-CYBMUJFWSA-N 311.407 1.431 0 40 DDAB Cc1ccc(CN2CCOC[C@H]2c2cc(O)nc(C)n2)cn1 257210698 BVTFXNUHOFZACA-HNNXBMFYSA-N 300.362 1.768 0 40 DDAB CCc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257257879 KRLWBEKANJADGP-KBPBESRZSA-N 318.377 1.580 0 40 DDAB CC[C@@H](C)[C@@H](C(=O)N[C@H](C)CO)N1Cc2ccccc2C1=O 263584776 AMGGOCMQKIFDJI-JMSVASOKSA-N 304.390 1.554 0 40 DDAB CC(C)(C)c1nc(C(=O)Nc2ncn(CC(=O)O)n2)cs1 647782644 WCEAARDGRPLGKM-UHFFFAOYSA-N 309.351 1.369 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccco1 585287914 HPWKIMWUKIEIOX-SUMWQHHRSA-N 320.389 1.958 0 40 DDAB C=CC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1 585292359 LCPXDSCILHVMJM-CYBMUJFWSA-N 324.388 2.211 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585111721 GTPBVFINKKWMSU-CYBMUJFWSA-N 320.343 1.854 0 40 DDAB C[C@H]1CCC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 45205013 SEMLZEXJQIISIF-RYUDHWBXSA-N 309.410 1.792 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 48088630 CEOQPTVFYYKPJE-LLVKDONJSA-N 314.307 1.972 0 40 DDAB COc1ncccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 49058213 KPYXOIHNFHEZLY-GFCCVEGCSA-N 305.378 1.923 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 69947202 WOCNHDZQSVABTI-CQSZACIVSA-N 320.437 1.063 0 40 DDAB Cc1cnn(C2CN(CC(=O)Nc3nc(C)c(C)s3)C2)c1 69917677 QCYZGIOGMFLXJC-UHFFFAOYSA-N 305.407 1.760 0 40 DDAB C[C@@H]1CN(C(=O)CN2CSCC2=O)C[C@H](c2ccccc2)O1 71827248 UQZNICCNIAANDJ-TZMCWYRMSA-N 320.414 1.508 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 97020715 QZZUTBRVVRQPCV-GFCCVEGCSA-N 323.336 1.991 0 40 DDAB C[C@@H](CSc1nc(-c2ccccn2)n[nH]1)CS(C)(=O)=O 79097718 FQIXTGPVOWPFDZ-VIFPVBQESA-N 312.420 1.640 0 40 DDAB O=C([C@@H]1NCC[C@@H]2CCCC[C@H]21)N1CCCn2nncc2C1 1580488666 IIFCQMSKCSRDPJ-NWANDNLSSA-N 303.410 1.179 0 40 DDAB CS[C@@H]1CC[C@@H](N(C)CC(=O)N2C[C@H](C)O[C@H](C)C2)C1 195531516 IHKVUZUROZRKCY-XJFOESAGSA-N 300.468 1.838 0 40 DDAB CN1C[C@H]2Cc3ccc(O)c(c3)[C@H]3C=C(CC[C@H]3O)C[C@H]1CN2 1772591130 ICNZARQTCKEORI-LORHWOILSA-N 314.429 1.775 0 40 DDAB CC(=O)O[C@@H]1CC(C)=C[C@H]2O[C@H]3O[C@@]14[C@H](CC4(C)C)[C@H]3[C@H]2O 1772591246 NSNOIYSVLPRWIS-IFFKRWOJSA-N 308.374 1.785 0 40 DDAB CC[C@H](NC[C@@H](O)Cn1cc(C=O)c2ccccc21)C(=O)O 5521155 XMDUUIUMKBBMIH-OCCSQVGLSA-N 304.346 1.268 0 40 DDAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC[C@@H]1COc2ccccc2O1 5604811 KQASILUCSRZYAD-AGIUHOORSA-N 319.357 1.834 0 40 DDAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C(C)C)c3n2)c1 12145933 VUHGIYJQJYVDNE-UHFFFAOYSA-N 311.345 1.775 0 40 DDAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 12147727 SFIDKFZAYZFZHD-UHFFFAOYSA-N 322.346 1.035 0 40 DDAB O=C(NCCN1CCc2ccccc21)C1Oc2ccccc2O1 12148430 KMTJMDYEHLZAEI-UHFFFAOYSA-N 310.353 1.963 0 40 DDAB CCOC(=O)Cn1nc2c(C)cc3cc(OC)ccc3n2c1=O 12181584 CWAKGUBIXBOGAO-UHFFFAOYSA-N 315.329 1.529 0 40 DDAB CC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233462 VXQUWAJLNMEVEU-NSHDSACASA-N 313.361 1.318 0 40 DDAB CC(=O)c1ccc(NC(=O)CSc2nc(O)cc(O)n2)cc1 13424582 YVLQKKNCAPLDKI-UHFFFAOYSA-N 319.342 1.821 0 40 DDAB O=S(=O)(NCc1nnc2c(C(F)(F)F)cccn12)C1CC1 238880009 PAAHSADQQJOXDC-UHFFFAOYSA-N 320.296 1.330 0 40 DDAB CO[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccco1 206866012 SFOUERFWYJJQLC-GFCCVEGCSA-N 313.379 1.296 0 40 DDAB CCCc1nnsc1C(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 238868467 MHZGNAVDAXYHAD-YUSALJHKSA-N 311.407 1.557 0 40 DDAB Cc1cnc(-c2nccnc2[C@H]2CCCN2S(C)(=O)=O)[nH]1 2037666343 BCWZXNWCJZYLQU-SNVBAGLBSA-N 307.379 1.272 0 40 DDAB CCC(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838653 UOGMMADRQCQJKG-UHFFFAOYSA-N 320.364 1.960 0 40 DDAB COc1cnc(O[C@@H]2CCN(Cc3nc(C(C)C)no3)C2)nc1 2087131086 PWTRMALQQXXMHZ-LLVKDONJSA-N 319.365 1.645 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)C(=O)NC2=O 9521513 SETIQZCMHDVLKK-UHFFFAOYSA-N 324.292 1.480 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@H](Cn2ccnn2)C(C)C)cc1 575616674 MVMNHOCLCNQHHS-CQSZACIVSA-N 316.361 1.519 0 40 DDAB O=C(c1cc(Br)cs1)N1CC(n2nccn2)C1 888106933 FLAOMXPOVABRHW-UHFFFAOYSA-N 313.180 1.799 0 40 DDAB COc1ccccc1OCC(=O)NC[C@](C)(O)c1ccco1 75156218 PMAFAVMXUPCVBK-INIZCTEOSA-N 305.330 1.691 0 40 DDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@H]13)O2 207868 MCUHIBYSSDHIOM-LDDOYCOJSA-N 313.353 1.845 0 40 DDAB biogenic CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 40496286 NKKIPLBYSUBFNW-SECBINFHSA-N 317.798 1.345 0 40 DDAB Cn1c(=O)c2c(nc(Cl)n2Cc2cccc(F)c2)n(C)c1=O 170575 SBZKSRKLLIWKNF-UHFFFAOYSA-N 322.727 1.275 0 40 DDAB biogenic CCOc1ncccc1NC(=O)N1CCCN(C(C)=O)CC1 40540918 JSTFRXPJLAGTPL-UHFFFAOYSA-N 306.366 1.566 0 40 DDAB CC(=O)N(C)c1ccc(NC(=O)c2c(C(=O)O)cnn2C)cc1 20614735 WEJJISVDBRKRMS-UHFFFAOYSA-N 316.317 1.353 0 40 DDAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 261909 DNEJZNPREWPQDJ-GFCCVEGCSA-N 310.419 1.535 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@@H]1C1OCCO1 69292839 BYCSFYDKLNSXIR-NWDGAFQWSA-N 322.361 1.152 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 6358617 LZDNBBYBDGBADK-KGLIPLIRSA-N 303.362 1.263 0 40 DDAB endogenous,in-man COc1ccccc1CC(=O)Nc1cccc(S(N)(=O)=O)c1 6584281 RTTMZXRNPIKNHL-UHFFFAOYSA-N 320.370 1.524 0 40 DDAB CCCNC(=O)CCc1ccc(S(=O)(=O)NCCC)cc1 6879557 LVYGZQPZOPOEDW-UHFFFAOYSA-N 312.435 1.834 0 40 DDAB Cc1cc(C)nc(N2CCN(C(=O)Cc3ccccc3)CC2)n1 52188678 NUJBQIAEUDLYJB-UHFFFAOYSA-N 310.401 1.985 0 40 DDAB COc1cccc(-c2noc(C(=O)NCc3ccnn3C)n2)c1 2732733 XNTBIBMMRFJWML-UHFFFAOYSA-N 313.317 1.409 0 40 DDAB Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn2c1=O 8400867 HGNNUZOOKPIZQU-UHFFFAOYSA-N 302.315 1.293 0 40 DDAB C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccn(C)c(=O)c2)C1 53403984 LRHYJUVXMCXYND-ZDUSSCGKSA-N 305.422 1.626 0 40 DDAB Cc1cccc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)c1 9288446 CLRVOKSGSUXADY-MNOVXSKESA-N 308.359 1.008 0 40 DDAB Cc1cccc(OCCN2C(=O)N[C@]3(CCSC3)C2=O)c1 22700724 JJTZYXYJXHPGCZ-HNNXBMFYSA-N 306.387 1.801 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cccn1 70040497 SEWDGSSXDSAEOD-NWDGAFQWSA-N 305.407 1.831 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H]1COc2ccccc2O1 42308959 YHTPJSNJTHRCDI-QWHCGFSZSA-N 316.361 1.411 0 40 DDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NC1CCCCC1 57363951 CKOKKKYFZZBLAT-UHFFFAOYSA-N 317.433 1.963 0 40 DDAB CCOC(=O)N(C)c1ccc(NC(=O)[C@H]2COCCO2)cc1 54312259 AUVWIVOTAPHZCA-CYBMUJFWSA-N 308.334 1.633 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)n1C 23574528 WMTYJJDZYHHLSB-HNNXBMFYSA-N 317.389 1.997 0 40 DDAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cnn[nH]1 69351846 JNVHKLXOOGVQLD-CQSZACIVSA-N 322.372 1.857 0 40 DDAB CON(C)C(=O)c1cc(Br)c2c(c1)OCCO2 69382754 USTUIERXWZLHFO-UHFFFAOYSA-N 302.124 1.854 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)nc1 69348696 GVTCBEBIRFCFCV-GWCFXTLKSA-N 307.419 1.820 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 69381181 BTDFKVHSAJJINU-QLFBSQMISA-N 304.365 1.912 0 40 DDAB Cc1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)s1 106828521 JUCRBXODBBNDRK-LDYMZIIASA-N 316.448 1.639 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 100202488 VITPGSWQMNLWRH-AVGNSLFASA-N 313.442 1.922 0 40 DDAB Cc1c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)cnn1-c1ccccn1 56194908 IUGGCFBKHGNALH-LSDHHAIUSA-N 312.373 1.969 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]c2ccccc2[nH]1 43930919 FGYATVDWZQJSSB-SECBINFHSA-N 304.350 1.837 0 40 DDAB Cc1cccc(OCCCCC(=O)N2CC[C@@H](C(N)=O)C2)c1 57432366 XRJOYFNXGOGYHH-CQSZACIVSA-N 304.390 1.878 0 40 DDAB CCN1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 104201649 ZCTIBFPHOJLONR-XQLPTFJDSA-N 323.352 1.099 0 40 DDAB COCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 44873408 VMHZDQQQFZFBJI-UHFFFAOYSA-N 317.311 1.786 0 40 DDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)c(C)c1 58277768 LKIWWZWOKYMZHC-UHFFFAOYSA-N 314.407 1.102 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1CCOc2ccccc21 44949790 UOADEHYHIIGWTP-DZGCQCFKSA-N 319.405 1.530 0 40 DDAB COc1ncccc1C(=O)NCc1ccc2c(c1)OCCO2 44907530 VENIRAILGMMNHQ-UHFFFAOYSA-N 300.314 1.791 0 40 DDAB Cc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cn1 44970483 IBJAJABDSMUPPR-UHFFFAOYSA-N 312.377 1.212 0 40 DDAB CCC[C@H](C)N(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58379284 NKLNASMYBXZZCN-NSHDSACASA-N 323.418 1.998 0 40 DDAB CCCCc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 12852554 CIPHGLAJSSXIHJ-UHFFFAOYSA-N 301.346 1.518 0 40 DDAB COC(=O)c1c(C)nsc1NC(=O)N1CCSCC1 48683108 UJGGBSVMGJJAJV-UHFFFAOYSA-N 301.393 1.819 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCOc1ccccc1F)C2 69484977 DPGUHZZINKPNPE-UHFFFAOYSA-N 304.325 1.537 0 40 DDAB CCn1ccnc1CN1CCN(c2ncnc3[nH]ccc23)CC1 69418403 COBHMCKUCQFXRL-UHFFFAOYSA-N 311.393 1.497 0 40 DDAB CC[C@H](C)c1ccccc1OCC(=O)NC[C@H]1CCC(=O)N1 69875440 NMKHHQHFLJVKNU-QWHCGFSZSA-N 304.390 1.974 0 40 DDAB CCN1[C@@H](Cc2cccn2C)[C@@H](O)c2ccccc2S1(=O)=O 13722850 KRHBKZJPBPVJEU-HOCLYGCPSA-N 320.414 1.694 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)COc2cccnc2)CC1 69696955 RDYCIHSRJBJUEY-HNNXBMFYSA-N 321.421 1.012 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccccn1 5271325 BQGVMSSJDLITPP-UHFFFAOYSA-N 309.329 1.605 0 40 DDAB CC(=O)Nc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 14022040 IYPOPDWNCRTWPH-UHFFFAOYSA-N 315.329 1.284 0 40 DDAB Cc1nnc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 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NC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 8172112 XXIFKORZAITTSL-GFCCVEGCSA-N 309.797 1.154 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1occc1C 78754847 YVJKDMJGSCPJKI-INIZCTEOSA-N 313.357 1.925 0 40 DDAB OCCN1CCN(C[C@@H](O)c2ccc(C3CCCC3)cc2)CC1 19802316 NURZPQPVXHSGBZ-LJQANCHMSA-N 318.461 1.988 0 40 DDAB O=C(c1cnsn1)N1CCC(c2nnc3n2CCC3)CC1 71819889 BVBFXBKWMYPWRU-UHFFFAOYSA-N 304.379 1.096 0 40 DDAB CCc1nnc(CN2CCCN(Cc3noc(C)n3)CC2)o1 71871600 CUJAKKFAOWRETE-UHFFFAOYSA-N 306.370 1.031 0 40 DDAB CCc1nnc2n1CCN(CC(=O)N1CCc3ccccc31)C2 71871946 KFJQQBZPOFBLPN-UHFFFAOYSA-N 311.389 1.245 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)C[C@H](C)n3cccc3)CCO2)n1 83829852 RATOUKILRAQMJR-STQMWFEESA-N 317.393 1.720 0 40 DDAB CCn1c(CNc2nc3c(cnn3C)c(=O)[nH]2)nc2ccccc21 71904222 QETHSTNERPUOQU-UHFFFAOYSA-N 323.360 1.638 0 40 DDAB Cc1nc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 84274733 PPZJNIRJCJUDAI-CQSZACIVSA-N 308.407 1.356 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 84281146 GRZZZCBRNCYUKR-CABCVRRESA-N 322.409 1.370 0 40 DDAB Cn1ncnc1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 97142564 UPZBZPHJPDKONK-QWHCGFSZSA-N 301.350 1.857 0 40 DDAB O=C(CCOc1ccc(F)cc1)N[C@H]1CCc2nccn2C1 97197591 OWJOGNDQQRIPDT-ZDUSSCGKSA-N 303.337 1.922 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 78997749 OESHBRLMVYEOCB-ZDUSSCGKSA-N 306.410 1.481 0 40 DDAB O=C(CCCNC(=O)[C@@H]1C[C@@H]1c1ccco1)Nc1cn[nH]c1 97212460 UEMDZMBZOXTQMU-NWDGAFQWSA-N 302.334 1.641 0 40 DDAB CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)C1=O 84441002 GLLSHMKRUWYFNQ-ZDUSSCGKSA-N 324.450 1.052 0 40 DDAB CCC(=O)NCc1cccnc1N1CCN(C(=O)CC)CC1 84718686 WNWSOLHOVRLZQI-UHFFFAOYSA-N 304.394 1.166 0 40 DDAB C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](O)c1ccc(F)cc1 95430047 HIWZPCIMXMOODF-HZMBPMFUSA-N 310.369 1.526 0 40 DDAB CN1C[C@H](NC(=O)N2CCN(c3cccs3)CC2)CCC1=O 95411339 SBPLLHZZAJLRLH-GFCCVEGCSA-N 322.434 1.201 0 40 DDAB C[C@H](CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)[S@](C)=O 95436481 XIPRHMLPZZJBNV-ODXZIHIVSA-N 314.373 1.144 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cccc(-n2cccn2)c1 73206463 RZXBYAZSHGUOPT-JSGCOSHPSA-N 312.373 1.528 0 40 DDAB CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1nc(O)[nH]c(=O)c1N 73793572 PUOINAYRWKQLOK-NXEZZACHSA-N 308.382 1.345 0 40 DDAB O=C(Nc1n[nH]c(-c2ccoc2)n1)c1ncn(-c2ccccc2)n1 95982612 RFOMWWAKNBFDAJ-UHFFFAOYSA-N 321.300 1.898 0 40 DDAB CCC(CC)n1nc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1C 95989286 IEWNNWHEDQGAQK-UHFFFAOYSA-N 318.381 1.935 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cn12 75127282 GALLHGSWSMDVKE-CQSZACIVSA-N 310.361 1.749 0 40 DDAB O=C1NC[C@@H](C(=O)N[C@@H](c2ccccc2)c2cccs2)N1 89827662 GJWUHLUALMPKRH-AAEUAGOBSA-N 301.371 1.635 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1cnc(-c2cnccn2)s1 89938774 NJEUCWSAXQJSMW-JTQLQIEISA-N 303.391 1.376 0 40 DDAB CC(=O)NCCc1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1 89938494 QZNAFPIXQUKOFW-CYBMUJFWSA-N 303.406 1.141 0 40 DDAB CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)OCCc1cccs1 89942190 IOGUWPBXWHTRCP-PWSUYJOCSA-N 319.448 1.798 0 40 DDAB O=C1CCCN1CC[C@@H]1CCOC12CN(C(=O)N1CCCC1)C2 306126948 FJSKUAKAZJEJQN-CQSZACIVSA-N 321.421 1.306 0 40 DDAB CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCc2ccnn2C)C1 1548952046 NZADRPADYJJNAO-CABCVRRESA-N 303.410 1.765 0 40 DDAB CN(C)CCCCC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 552549628 QROZAQBZFWFQBJ-OAHLLOKOSA-N 309.454 1.483 0 40 DDAB Cc1cc2c(cnc3nc(-c4ccccc4)nn32)c(=O)n1N(C)C 38784025 LGRDMSIGZGSSQA-UHFFFAOYSA-N 320.356 1.612 0 40 DDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@@H]1C(N)=O 73356634 LZFCXEPFELTJGL-CZUORRHYSA-N 315.417 1.694 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 32645020 BFACKRCGOZXIRP-UHFFFAOYSA-N 304.177 1.636 0 40 DDAB Cc1ncccc1CNC(=O)N[C@H](C)c1nnc2n1CCCC2 527825418 WRWZTSMTYLSYQP-GFCCVEGCSA-N 314.393 1.878 0 40 DDAB O=C(NC[C@@H](O)[C@@H]1CCCO1)c1ncoc1-c1ccc(F)cc1 529775458 ZLHCPCHCVYBQCW-OLZOCXBDSA-N 320.320 1.750 0 40 DDAB COC(=O)c1cc(Br)c2c(c1)C(=O)NCCO2 1535639561 NNDAKAQXHFLCNL-UHFFFAOYSA-N 300.108 1.358 0 40 DDAB Cc1cc(C(=O)NCCOc2ccc(C(=O)O)cc2)nn1C 537484539 OYXUCLNBGYFPEM-UHFFFAOYSA-N 303.318 1.236 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cnn(C)c3)C2)n1 79489516 JQKMJWIGCNGBII-ZDUSSCGKSA-N 314.393 1.682 0 40 DDAB CCOC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C)c1C 184084479 YRRFQVUMVQVOPP-ZFWWWQNUSA-N 318.373 1.302 0 40 DDAB Cc1cc(C)c(CCNC(=O)CN2C(=O)[C@@H]3C[C@H]3C2=O)c(C)c1 134808050 OMFRZOAYQCHGJT-HUUCEWRRSA-N 314.385 1.275 0 40 DDAB C[C@H]1CCN(CC(=O)N2CCN(c3cncc(F)c3)CC2)C1 563385886 FQEZGHPOBVIURE-ZDUSSCGKSA-N 306.385 1.211 0 40 DDAB O=C(Cc1cc2ccccc2nc1O)N1CCOCC(F)(F)C1 566887412 NBOFYZMGGYGVFX-UHFFFAOYSA-N 322.311 1.977 0 40 DDAB Cc1ccnc([C@H](NS(=O)(=O)c2cccnc2)C2CC2)n1 195562524 CEJGLZYEIJLXMD-CYBMUJFWSA-N 304.375 1.610 0 40 DDAB CCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@H]1CCNC1=O 570586165 ZLNNCPDHPXBRJG-ZDUSSCGKSA-N 315.373 1.267 0 40 DDAB O=C(Cc1ccsc1)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802358 CEIHEZFJTDBEMJ-UHFFFAOYSA-N 316.342 1.345 0 40 DDAB O=C(NCc1cccnn1)N[C@H]1CCN(c2ccc(F)cc2)C1 571529181 OYWOPZNQKIIUCU-AWEZNQCLSA-N 315.352 1.694 0 40 DDAB C[C@@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O)[C@@H]1C[C@@H]2CC[C@@H]1C2 225634184 OJVWXXOEBPCHRM-MZKUERFNSA-N 307.390 1.806 0 40 DDAB O=C(COc1ccccc1)NCc1ccnc(N2CCCC2)n1 224198243 GIHZGDGKQCGTPT-UHFFFAOYSA-N 312.373 1.772 0 40 DDAB NS(=O)(=O)c1ccccc1N1CCN(c2ccccn2)CC1 195575675 OGWJOTIRTCWEFK-UHFFFAOYSA-N 318.402 1.056 0 40 DDAB O=C(Nc1ccncn1)N1CCN(Cc2cccc(F)c2)CC1 194130720 RHWMJDFSWRVQJW-UHFFFAOYSA-N 315.352 1.965 0 40 DDAB CC(=O)N1CC[C@]2(C(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]2C1 96268469 JFBJWRWPZAHCCK-PXAZEXFGSA-N 316.357 1.655 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)Cn2ccccc2=O)C12CCCC2 96432575 HKVPIBBWQYEZMH-KGLIPLIRSA-N 304.390 1.702 0 40 DDAB CNC(=O)NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCO2 96403854 OGHRMGXTKNBWSO-LBPRGKRZSA-N 319.361 1.398 0 40 DDAB C[C@H](C(=O)N[C@@H](CCO)c1ccccc1)N1CCSCC1 95445591 XCPLSWIHAXGRCC-HIFRSBDPSA-N 308.447 1.664 0 40 DDAB CC(C)Oc1ccc(CNC(=O)NCc2ncnn2C)cc1F 96439921 XFPOIAYXRYHRDV-UHFFFAOYSA-N 321.356 1.741 0 40 DDAB CN(CCOc1cccc(S(C)(=O)=O)c1)CCn1cccn1 96414876 DRHKZDBDHKGKJJ-UHFFFAOYSA-N 323.418 1.297 0 40 DDAB Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccoc2)cn1 96055745 UQJWBKCVVVXNNT-QWHCGFSZSA-N 300.318 1.033 0 40 DDAB c1cn(C[C@@H]2CO[C@@]3(COCCN(Cc4ccoc4)C3)C2)cn1 96052057 XSEIVZXKEXULGO-SJORKVTESA-N 317.389 1.784 0 40 DDAB COC[C@@H](O)CNC(=O)[C@@H](C)c1ccc(Br)cc1 96487681 IWPOAAYBFZPJCV-CABZTGNLSA-N 316.195 1.676 0 40 DDAB CO[C@H]1CCOC2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)C2 247925450 DGWTVVOFLHWLAY-ZDUSSCGKSA-N 319.357 1.364 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)C)cc1C 343091775 HTQUTRDJEKSREA-NSHDSACASA-N 314.407 1.195 0 40 DDAB O=C(O)c1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cc1 257251094 JPIQRILPAPTOOZ-HNNXBMFYSA-N 305.374 1.891 0 40 DDAB Cn1cnc(CN2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)c1 257340093 ZEMQWXUGIUJMFI-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)Cn3cc(C)cn3)CCO2)n1 257254655 KEDAKWNPYPKDNT-AWEZNQCLSA-N 315.377 1.228 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2cscn2)O1 252482337 DDCRFKXDBXLCPL-YJQGPUDQSA-N 310.375 1.467 0 40 DDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)Cc1ccccc1F 257342509 ZOZRZISVJUUHPB-OAHLLOKOSA-N 321.396 1.035 0 40 DDAB O=C(N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1)C1(F)CC1 575405849 UNNZQNOOTXSHEE-LLVKDONJSA-N 324.327 1.862 0 40 DDAB COc1ccc([C@@H]2[C@H](C(=O)O)SCC(=O)N2C2CC2)cc1 824659944 RHSHGLMOCVKMFS-ZIAGYGMSSA-N 307.371 1.927 0 40 DDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095735 GVHSGRSMAYRFDS-CQSZACIVSA-N 320.393 1.367 0 40 DDAB C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)n1cccn1 44668942 PBMMSKSQVIGREA-LBPRGKRZSA-N 301.346 1.574 0 40 DDAB C[C@H]1CN(CCNC(=O)c2scnc2Cl)C[C@H](C)O1 47304645 JVSKPCKXAZFYNK-IUCAKERBSA-N 303.815 1.636 0 40 DDAB C[C@H](C(=O)O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 51639127 DJWBYMOEWLJRAS-SECBINFHSA-N 314.744 1.710 0 40 DDAB O=C(NC[C@H](O)C1CCCC1)c1cccnc1N1CCOCC1 69951776 PLLYGSVKFSOGOU-HNNXBMFYSA-N 319.405 1.199 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1C 96025293 HRNAAPLIYIZWRY-ZDUSSCGKSA-N 317.432 1.111 0 40 DDAB O=C(c1cnc(O)[nH]1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 585342911 DINDCWILRUSZEU-SECBINFHSA-N 323.740 1.242 0 40 DDAB COc1cccc(NC(=O)NCCc2nnc(SC)n2C)c1 5001749 JKMYNTIDWJEXFS-UHFFFAOYSA-N 321.406 1.910 0 40 DDAB O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 12115796 KMNQGDKOXNHDFP-QWHCGFSZSA-N 313.361 1.709 0 40 DDAB CS(=O)(=O)NCCc1ccc(-c2csc(N)n2)s1 12543090 DOZPGLVEGQIMAU-UHFFFAOYSA-N 303.434 1.546 0 40 DDAB CSc1nc2n(n1)[C@H](C(=O)Nc1cccc(C)n1)CC(=O)N2 14608524 PTIACORHEHKCNS-QMMMGPOBSA-N 318.362 1.225 0 40 DDAB O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H](N2CCCCC2)C1 167773743 FOVNEYBQTHCBNV-CVEARBPZSA-N 309.454 1.232 0 40 DDAB Cc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)O 35737944 LDVICEQPBVZKDL-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB Cc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)no1 3410190 OLBBQINGLJDCLR-UHFFFAOYSA-N 318.724 1.929 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccccc1 5874869 KRDGEVOYMYNGMM-UHFFFAOYSA-N 302.330 1.594 0 40 DDAB COc1ccc2[nH]c(CN3CCN(C)C[C@@H](C(N)=O)C3)cc2c1 1848352400 TVZRMVMDHKLSHL-CYBMUJFWSA-N 316.405 1.025 0 40 DDAB Cc1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)ncn1 1776009675 MXXRWNVUVLKQRR-UHFFFAOYSA-N 322.372 1.120 0 40 DDAB CCN(Cc1ccncc1)C(=O)[C@@H]1CNCC12CCOCC2 2056225741 ALBGSNIQIYZANO-HNNXBMFYSA-N 303.406 1.446 0 40 DDAB CCc1nc(N)n(CC(=O)Nc2ccc(C)cc2C)c(=O)c1C 49410974 ZRRLGRZISSCZSG-UHFFFAOYSA-N 314.389 1.952 0 40 DDAB Cc1nnsc1C(=O)NCc1nccnc1-c1ccncc1 575621346 VKRSKDSXOMBNNT-UHFFFAOYSA-N 312.358 1.629 0 40 DDAB Cc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccccc2)c1 73016403 FUXNGURMQJCTDD-INIZCTEOSA-N 312.369 1.575 0 40 DDAB C[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccnc1 40511896 CGZLMDMKIQPCNN-LBPRGKRZSA-N 311.407 1.151 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)nc(C)n1 20774134 BOFBPXLNHZLGRL-INIZCTEOSA-N 324.384 1.277 0 40 DDAB Fc1ccc(Nc2nc3nonc3nc2N2CCOCC2)cc1 3171350 WPTIHZSFKDYHKQ-UHFFFAOYSA-N 316.296 1.732 0 40 DDAB COCCCNC(=O)CSc1nnc(-c2ccccc2)n1C 6140044 LJXMHYDIHOAKPT-UHFFFAOYSA-N 320.418 1.727 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 6340834 CNSUKXHHHYVUBA-HZPDHXFCSA-N 308.385 1.929 0 40 DDAB C=Cn1nnc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 10119635 CQBKBKFKSGDYDG-GQCTYLIASA-N 320.696 1.987 0 40 DDAB Cc1c(Br)c(C(=O)NC[C@@H]2CCCO2)nn1C 2780327 FAMLOYNUPZGAIX-QMMMGPOBSA-N 302.172 1.400 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCC(C(=O)c2ccccc2)CC1 53008375 MDMCTTWKQQHABX-UHFFFAOYSA-N 323.414 1.543 0 40 DDAB CCC[C@](C)(O)CNC(=O)c1cccnc1N1CCOCC1 76019205 SEXACOGYFCXQFU-INIZCTEOSA-N 307.394 1.199 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 9515893 AFBSLSOYAOMBOH-CQSZACIVSA-N 304.371 1.500 0 40 DDAB Cc1cnccc1NCCNc1nccc(-c2ncnn2C)n1 23431666 VSMUOQYUIUBQTR-UHFFFAOYSA-N 310.365 1.500 0 40 DDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cn2ccccc2n1 8643070 ZNESDUXEMAVHRI-UHFFFAOYSA-N 305.301 1.562 0 40 DDAB CCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)CC1 55079258 VVCQPALVUPFVFU-SOFGYWHQSA-N 304.390 1.881 0 40 DDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 47672268 XLCYPUTWMQHORI-SNVBAGLBSA-N 315.304 1.506 0 40 DDAB O=C(O)c1cc(NS(=O)(=O)N2CCOCC2)ccc1Cl 37642000 HUNWZBJOYIPJKZ-UHFFFAOYSA-N 320.754 1.027 0 40 DDAB CCN(CC)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2 25748632 ZODIXRJGZKLOCH-UHFFFAOYSA-N 311.769 1.951 0 40 DDAB O=C(NCCn1ccnc1)C1(c2cccc(F)c2)CCOCC1 57211987 QQSAPOHSNVFOMU-UHFFFAOYSA-N 317.364 1.887 0 40 DDAB C[C@H]1CN(C(=O)[C@@H](C)Sc2nnc3ccccn23)C[C@@H](C)O1 12617632 HNJATLWNJNZUAK-GRYCIOLGSA-N 320.418 1.846 0 40 DDAB NC(=O)NC(=O)CCN1CCC(c2cc3ccccc3[nH]2)CC1 58191517 RZJFXSIKIAJAIZ-UHFFFAOYSA-N 314.389 1.932 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[C@@H]1C(=O)O2 101453440 BRMRRNLSAFGLHH-VHSXEESVSA-N 301.751 1.337 0 40 DDAB O=C(Nc1nccs1)c1ccc2c(=O)[nH]c(S)nc2c1 44942649 UMWAMNKCNHJXSL-UHFFFAOYSA-N 304.356 1.921 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cn1nc(-c2cccs2)oc1=O 44916515 ZVYBLSDILWIHBM-VHSXEESVSA-N 323.374 1.201 0 40 DDAB CC(C)[C@@H](C)N(C)C(=O)NCCCn1nc2n(c1=O)CCCC2 44972163 CDMCTXHJFFDTRT-CYBMUJFWSA-N 323.441 1.457 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](C(C)C)N1CCOCC1 58381168 ICMFMQFHMIEVCO-INIZCTEOSA-N 323.485 1.241 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCC1CC1 58309090 LNNQLJBTQHOPHO-UHFFFAOYSA-N 312.373 1.599 0 40 DDAB C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccncc1 27950632 JSWNGTYKLUNCKV-QMMMGPOBSA-N 300.771 1.508 0 40 DDAB CN1CC[C@@H](C(=O)N(C)CCCOc2ccccc2)CC1=O 48175812 GBDVOTHSYBQORG-CQSZACIVSA-N 304.390 1.782 0 40 DDAB CNC(=O)C1CCN([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 29165803 VLDNTIRKUCBXFJ-CQSZACIVSA-N 317.433 1.458 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccc2c(c1)CCO2 69571105 YYLWRGGDXVZUIC-BBRMVZONSA-N 319.357 1.632 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3454699 YALGEZXUPYYGKT-MRXNPFEDSA-N 303.362 1.322 0 40 DDAB CN(Cc1cccs1)C(=O)CN1CCC[C@@H]1Cn1cncn1 69560243 JKPYMMXBLFOVFP-CYBMUJFWSA-N 319.434 1.463 0 40 DDAB CCn1c(S)nc2cc(C(=O)N3CCCC3)ccc2c1=O 17356486 ORKHIIYIVGWGHJ-UHFFFAOYSA-N 303.387 1.941 0 40 DDAB CC[C@H](C)c1c(O)nc(SCC(=O)NC(C)(C)C)[nH]c1=O 13453835 KJIXSZSGJVDEFB-QMMMGPOBSA-N 313.423 1.996 0 40 DDAB CCc1nnc(SCc2cn3c(C)cc(C)nc3n2)n1N 4005255 HMTRHIZZEVUPCO-UHFFFAOYSA-N 303.395 1.506 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1[C@@H]1CCCN1CC 69841298 QIEZLYAPBCOTCJ-KKUMJFAQSA-N 324.469 1.689 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1ccc(C(F)(F)F)nc1 49743946 PHJGWPJNCUYRQN-UHFFFAOYSA-N 303.284 1.828 0 40 DDAB Cc1noc(C2(NC(=O)c3ccc[nH]c3=O)CCCCC2)n1 65257738 NHGWXHILYAXSMX-UHFFFAOYSA-N 302.334 1.656 0 40 DDAB COc1cccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c1 6762136 YHRQUYLVVQVAIB-VOTSOKGWSA-N 324.384 1.847 0 40 DDAB O=C1CN(C(=O)c2cnn(-c3ccccc3)n2)c2ccccc2N1 15717362 XADQGSWIBGZADA-UHFFFAOYSA-N 319.324 1.866 0 40 DDAB O=C(Cn1cnnn1)N1CCC(Cc2ccc(F)cc2)CC1 71185857 DVRWNYGTFGTBCM-UHFFFAOYSA-N 303.341 1.294 0 40 DDAB CCCNC(=O)[C@@H](C)Sc1nncn1CCc1ccccn1 68275373 YAFROWFEDRCZHY-GFCCVEGCSA-N 319.434 1.923 0 40 DDAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1 7785882 HMMXJOXJFVJPCL-UHFFFAOYSA-N 303.387 1.918 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 8112841 TWPGRLUZVAJYFD-UHFFFAOYSA-N 321.384 1.849 0 40 DDAB O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 69195203 TUDZUKGKPMPIDA-NXEZZACHSA-N 316.345 1.274 0 40 DDAB CN(CC(C)(C)O)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 71876932 ZEKXSQWTYKYYJZ-ZDUSSCGKSA-N 308.426 1.614 0 40 DDAB Cc1cnc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cn1 71858748 NZLPQWVINSUZGO-UHFFFAOYSA-N 312.308 1.639 0 40 DDAB COc1cc2c(cc1CN[C@@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 71837457 UVWIJZKYFYFSGM-GXFFZTMASA-N 311.403 1.295 0 40 DDAB Cn1cccc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 97084985 HNQMVEGUVPTJPR-INIZCTEOSA-N 324.384 1.678 0 40 DDAB CCn1cc(CNC[C@H]2CCO[C@H]2c2cnn(CC)c2)cn1 83843578 SFTPADMLYPDJIL-GDBMZVCRSA-N 303.410 1.987 0 40 DDAB C[C@@H](NCC(=O)N1CCOCC1)c1ccc(OC(F)F)cc1 97033071 VBDUQCKXHQTTAA-LLVKDONJSA-N 314.332 1.797 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)[C@H]1CCN1Cc1ccccc1 78875763 MYJVNAMMRLHPNZ-NVXWUHKLSA-N 317.433 1.098 0 40 DDAB CC1CCN(C[C@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)CC1 72270896 UZTMMRCXDRMNFJ-OAHLLOKOSA-N 324.469 1.228 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n[nH]1 78900688 PXOSBDNVYHNEDP-NEPJUHHUSA-N 320.393 1.174 0 40 DDAB CN(C[C@@H]1CCCCO1)C(=O)c1ccccc1-n1ccnn1 97107243 YFBSZIFPDZICTD-ZDUSSCGKSA-N 300.362 1.908 0 40 DDAB C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1O 97147246 IMSMAAONKGVSKI-KWQFWETISA-N 307.774 1.871 0 40 DDAB COc1ccc(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1 79052022 ODMYYTDNSOBOLD-HOCLYGCPSA-N 313.357 1.548 0 40 DDAB O=C(O)c1ccnc(-c2ccnc(NC[C@H]3COCCO3)n2)c1 72481356 UGXNHTPPLYTCBI-NSHDSACASA-N 316.317 1.064 0 40 DDAB CSc1cccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c1 95471822 JHNPMMHYJDJHCM-UHFFFAOYSA-N 318.354 1.907 0 40 DDAB C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)cc1 95461358 YQFBFWCJHLVOQL-SNVBAGLBSA-N 317.320 1.340 0 40 DDAB CCCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)CNC(=O)C2 73317609 NWLOOAITVOSABD-CQSZACIVSA-N 307.438 1.380 0 40 DDAB CN(C)C(=O)N1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 95982536 LUEPGNBTDSFJGG-UHFFFAOYSA-N 313.405 1.876 0 40 DDAB COc1ccc(NC(=O)N2CCCC3(C2)OCCO3)c(C)n1 89537021 UAEJFZWQYDGQMJ-UHFFFAOYSA-N 307.350 1.769 0 40 DDAB CC(C)Cc1nc(CN2CCC(N3CCN(C)C3=O)CC2)no1 75131517 UBVJVHFOFQQBCM-UHFFFAOYSA-N 321.425 1.600 0 40 DDAB Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1nnc(N)n1C 89689343 YAXZDKXSEXKGCJ-NSHDSACASA-N 319.434 1.845 0 40 DDAB COC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccc(OC)c2)CC1 20454023 HNQXQZAHRMIOLC-GFCCVEGCSA-N 321.373 1.874 0 40 DDAB CCCCn1nc(C(=O)N2C[C@H](CC)[C@H](N(C)C)C2)ccc1=O 89954904 RKFXJXMSGWSSFC-DZGCQCFKSA-N 320.437 1.456 0 40 DDAB Cc1ccc(S(=O)(=O)CCCN2CC[C@@H](C)[C@@H](O)C2)cc1 110705927 KCKLQRBFSXTJDG-ZBFHGGJFSA-N 311.447 1.862 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306124762 BYROREGNHSMTFX-GFCCVEGCSA-N 314.345 1.115 0 40 DDAB Cn1cc2c(n1)CCC[C@H]2NC(=O)[C@@H]1CCC(=O)c2cccn21 548897879 ULGKRCGPVXUFPU-DOMZBBRYSA-N 312.373 1.933 0 40 DDAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCCNC(N)=O)c1 33028763 SIGYWAOZYKZRNI-UHFFFAOYSA-N 320.393 1.149 0 40 DDAB O=C(NCC1CC(O)C1)Nc1cnn(-c2ccccc2F)c1 529014180 DIYVYQVMSJCHJW-UHFFFAOYSA-N 304.325 1.904 0 40 DDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 218494749 DPYHRDDCUSZRRL-PMPSAXMXSA-N 311.447 1.741 0 40 DDAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)cc1C 566348277 CEWLGVNALQXLBE-CQSZACIVSA-N 313.405 1.751 0 40 DDAB Cc1cc(N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)ncn1 72388592 OGARFFXQFOEYJC-LBPRGKRZSA-N 300.366 1.551 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CO)C(=O)O 218413952 YTBYPGRVPSEQLK-NTZNESFSSA-N 318.778 1.304 0 40 DDAB Cn1ncc2c(O)nc(N[C@H]3CCc4ccccc4NC3=O)nc21 521396790 MRYCOIGXHCMPCI-LBPRGKRZSA-N 324.344 1.434 0 40 DDAB Cn1ccnc1[C@H]1CCN(Cc2nnc3n2CCCCC3)C1 562477079 AZTXGTIUPHSXSZ-ZDUSSCGKSA-N 300.410 1.728 0 40 DDAB CN1CCC[C@](O)(CN2CCN(c3ccc(F)cc3)CC2)C1 46087409 UDVNNKZCOYQKFI-QGZVFWFLSA-N 307.413 1.404 0 40 DDAB CN1CC(=O)N(C(=O)Cc2ccccc2)c2ccccc2C1=O 40385878 WSBGAYLWCMERQU-UHFFFAOYSA-N 308.337 1.875 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NC2CCCC2)c(C)c1 45973575 QEZUNIAKLOHLQR-UHFFFAOYSA-N 324.446 1.949 0 40 DDAB CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCC(N)CC1 45796216 YUIODYBCBWNTSW-UHFFFAOYSA-N 323.393 1.722 0 40 DDAB CNc1ncnc2ncn(C[C@H](O)COCc3ccccc3)c12 84926251 QSSNDXNWDWGMGS-ZDUSSCGKSA-N 313.361 1.446 0 40 DDAB NC(=O)C1CCN(c2ccccc2NC(=O)CCC(=O)O)CC1 570043252 LFINPOAZLBKHLH-UHFFFAOYSA-N 319.361 1.192 0 40 DDAB COc1nc(C)c(NC(=O)CNC(=O)c2ccccc2)c(C)n1 224339289 QDAYTZBTQGEYII-UHFFFAOYSA-N 314.345 1.471 0 40 DDAB CN1c2cccnc2CN(C2CCC(CO)CC2)CC[C@H]1CO 225496696 YHMAWHZTWSAHHK-GPANFISMSA-N 319.449 1.636 0 40 DDAB biogenic,in-vitro COCCN1CC2(CCN(C(C)=O)CC2)C[C@@H]1COCC1CC1 96219815 FLFPFRPQVHMTSH-QGZVFWFLSA-N 324.465 1.762 0 40 DDAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C(=O)N3CCCC3)O2)n1 96041081 HAPCXBGFXOYIJQ-JHJVBQTASA-N 306.366 1.888 0 40 DDAB O=C(CS(=O)(=O)c1ncc[nH]1)NCCCC1CCCCC1 96475672 SRRUWCJXSFYVNY-UHFFFAOYSA-N 313.423 1.660 0 40 DDAB CN(C)C(=O)NC[C@H]1OCCc2cn(Cc3ccccn3)nc21 96059800 BZQVUYRGGQBJJB-CQSZACIVSA-N 315.377 1.211 0 40 DDAB CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)N=C1C 96261432 QTESTJSPWQSNJW-PVXIVEMSSA-N 317.368 1.481 0 40 DDAB c1csc(CN2C[C@H]3[C@H](N4CCOCC4)COC[C@H]3C2)c1 96186821 FIYRTARFGXTGCA-FVQBIDKESA-N 308.447 1.527 0 40 DDAB Cn1c(=O)/c(=C/c2cccc(O)c2)s/c1=C/C(=O)C(C)(C)C 97992403 DHCSRSIXRBHFPQ-AYMWWVTDSA-N 317.410 1.377 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2ncnc(-c3ccncc3)c2CC1 96255266 YDVBNPAKDRGNEO-MRXNPFEDSA-N 324.384 1.645 0 40 DDAB C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)O1 96485672 BNIJYIGRCGPPFT-UXIGCNINSA-N 305.378 1.551 0 40 DDAB Cc1nnc(N2CCC[C@]3(CN(C(=O)NC(C)C)CCO3)C2)o1 96226676 CACFBMJSTLZFRI-HNNXBMFYSA-N 323.397 1.167 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)N1CCCC1)CC2 96217769 CNGSGVSCARLYAM-QGZVFWFLSA-N 323.437 1.696 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cc(C)on2)n1 257295194 QXIYYLXBVODKPM-GFCCVEGCSA-N 304.306 1.001 0 40 DDAB Cc1cccnc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257280602 OLNOMRDFYKLWTL-OAHLLOKOSA-N 314.389 1.719 0 40 DDAB O=C(/C=C/c1cccs1)N1CCC(N2C(=O)CNC2=O)CC1 253473763 YGEWBXLCQQVGQU-ONEGZZNKSA-N 319.386 1.304 0 40 DDAB Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ncnc(N)c2Cl)C1 253430651 FOUVTNJDCZTNHF-KOLCDFICSA-N 322.800 1.396 0 40 DDAB CCC[C@@H](C)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 42778043 AUGSSHMELBWCMQ-CYBMUJFWSA-N 324.446 1.931 0 40 DDAB CN1C(=O)CO[C@H]2CCN(C(=O)/C=C/c3ccccc3)CC[C@@H]21 257343173 ZRUFCEFBCCARDS-HABDOHHLSA-N 314.385 1.548 0 40 DDAB Cc1csc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 257293555 QQAXVIRUDBGXDG-UMVBOHGHSA-N 324.446 1.353 0 40 DDAB COCCN1CCC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 257343046 ZRFZLDLJQLUZHZ-ZDUSSCGKSA-N 301.394 1.768 0 40 DDAB Nc1cccc(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)n1 262076593 XHFKMMNXNYIMRL-CQSZACIVSA-N 300.337 1.590 0 40 DDAB CCC[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260743548 KVIQSENLXKPONX-JSGCOSHPSA-N 312.435 1.924 0 40 DDAB CC[C@H](C)NC(=O)c1cnc(I)c(O)c1 585141314 TVXCNTAXDRTURQ-LURJTMIESA-N 320.130 1.920 0 40 DDAB CC(C)CCC(=O)N1CCn2cc(C(=O)N(C)C)nc2[C@H]1C 585096442 NVPLNEROMYGWBE-GFCCVEGCSA-N 306.410 1.924 0 40 DDAB COC(=O)NCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 55174857 LQUVPXTXWSDHMV-MRXNPFEDSA-N 313.357 1.776 0 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COc1cnc(O[C@H]2CCN(c3ccc4nccn4n3)C2)nc1 2087025966 OOEWTMRJHGPHMV-NSHDSACASA-N 312.333 1.186 0 40 DDAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1nc(-c2cccnc2)n[nH]1 4727467 XSXBBGJSUKCCMS-SKWLPYGWSA-N 307.313 1.178 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@@H](NCCN(C)C)C(=O)O)c1 22592702 FWRCEBFTJGGOAV-CQSZACIVSA-N 307.394 1.236 0 40 DDAB O=C(/C=C/c1ccccc1Cl)N1CC(N2C(=O)CCC2=O)C1 217716474 WKZPHAZFAVLJBS-AATRIKPKSA-N 318.760 1.713 0 40 DDAB Cc1cccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 101502109 SRLWQNBVJKAZPJ-UHFFFAOYSA-N 311.345 1.606 0 40 DDAB CCOc1c(OC)cc(CNC(=O)NCCOC)cc1OC 50110440 DSKHTJZEXIJOEL-UHFFFAOYSA-N 312.366 1.548 0 40 DDAB COCCNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 40481484 NUBLJDOMEMQEBQ-UHFFFAOYSA-N 303.318 1.224 0 40 DDAB Cc1cnc(NCCN2CCC[C@H](O)C2)nc1-c1ccnn1C 20450828 KORWWDGDYKQNKU-ZDUSSCGKSA-N 316.409 1.054 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 40529638 APINDYAPYNJAAH-AWEZNQCLSA-N 312.373 1.139 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N[C@H](C)CN1CCOCC1 40528178 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DDAB COC(=O)N1CCC(C(O)=C2C(=O)OC(C)(C)OC2=O)CC1 100745899 XIVUJVZQUHOLOM-UHFFFAOYSA-N 313.306 1.113 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)n[nH]1 76059574 UCACFYAYFYYKPV-SNVBAGLBSA-N 316.365 1.149 0 40 DDAB NC(=O)CN(C(=O)[C@H]1COc2ccccc2O1)C1CCCC1 47236235 UDFLTHFBXAKHRN-CQSZACIVSA-N 304.346 1.083 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)CCc3ccccc3)c12 57279750 FTDQZVHCYALXMV-UHFFFAOYSA-N 311.389 1.827 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccccc3)C2)C1 108531939 CNTLYTBFJUVBBQ-UHFFFAOYSA-N 308.403 1.231 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)NC[C@H]1CN(C)CCO1 106908951 QARSHDHZHWJSAH-MJBXVCDLSA-N 323.441 1.101 0 40 DDAB NCC(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100177832 VZQIYOXPHSGNBZ-OKILXGFUSA-N 305.378 1.299 0 40 DDAB O=C(CNc1cccc(Cl)c1F)N[C@@H]1CCS(=O)(=O)C1 25896667 HCGNVXIGWJZGGY-MRVPVSSYSA-N 320.773 1.194 0 40 DDAB CN1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1=O 44265347 REXLJKIQBJMFEF-HOTGVXAUSA-N 315.417 1.246 0 40 DDAB O=C1OCC[C@H]1N1CCN(C(=O)c2cc3ccccc3o2)CC1 26732472 IDMWSMDMJVYIMY-CYBMUJFWSA-N 314.341 1.506 0 40 DDAB CCCCOC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 58037982 NOADGSFFXCNYIO-JTQLQIEISA-N 302.371 1.489 0 40 DDAB in-vitro C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccccn1)CS2 58131686 LFGKAXQILWLTKC-DOMZBBRYSA-N 305.403 1.194 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)no1 44971301 PDMDNDPQNVBDAE-FPMFFAJLSA-N 324.425 1.622 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)C(C)(C)C)c1 3371511 WBDUKTSVTLJROV-UHFFFAOYSA-N 313.375 1.367 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)[C@H](C)CO1 45449485 NPIHXQLGNVZFPC-CHWSQXEVSA-N 300.362 1.576 0 40 DDAB O=S(=O)(Cc1ccc(-n2cccn2)cc1)C[C@H]1CCCO1 69569490 QPTUKZWVIATAGV-OAHLLOKOSA-N 306.387 1.966 0 40 DDAB Cn1nnnc1SCC(=O)N[C@H]1CCCc2ccccc21 3409515 UKJVSARUEIBRAY-LBPRGKRZSA-N 303.391 1.496 0 40 DDAB CCCS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 13552307 PILXJNOSHPJLQB-UHFFFAOYSA-N 301.349 1.567 0 40 DDAB CCOC(=O)c1c(N)sc(C(=O)OC)c1CC(=O)OC 4206548 QNENXDSSWQXDDL-UHFFFAOYSA-N 301.320 1.009 0 40 DDAB CC(C)Cc1cc(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)[nH]n1 65447611 GUMRSLNUBDTJRQ-STQMWFEESA-N 308.426 1.447 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 65502903 UHSATIIEQHFZGL-JTQLQIEISA-N 318.343 1.899 0 40 DDAB CCc1cccc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)c1 65529006 MAMSLFJWSYXCFC-UHFFFAOYSA-N 315.373 1.956 0 40 DDAB O=C1c2ccccc2C(=O)N1CSc1nnnn1C1CC1 14181277 ZBCWUCRGTXMOHF-UHFFFAOYSA-N 301.331 1.354 0 40 DDAB O=C1c2ccccc2C(=O)N1Cn1ncc(Cl)c(Cl)c1=O 6560727 QZTISLCJEHDIIQ-UHFFFAOYSA-N 324.123 1.804 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@@H]2C)cc1 4985945 FJVIWYZOHZAGOJ-LBPRGKRZSA-N 311.407 1.329 0 40 DDAB COc1cccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 6908364 UVYAWRYMUBQLHG-UHFFFAOYSA-N 323.352 1.791 0 40 DDAB O=C(c1ccc2[nH]nnc2n1)N1CCC(OC2CCCC2)CC1 96012372 DQDJYFBDLVUZQQ-UHFFFAOYSA-N 315.377 1.917 0 40 DDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 9483759 XHRVYPJUSFKKML-LBPRGKRZSA-N 321.402 1.607 0 40 DDAB CCNC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9468262 AVIQBKLFRBFRRF-UHFFFAOYSA-N 321.362 1.419 0 40 DDAB N[C@H](CNS(=O)(=O)c1cccc2nonc12)c1ccccc1 96483355 BWBGUHOUGHXXHX-LLVKDONJSA-N 318.358 1.201 0 40 DDAB CC(C)[C@H](C(=O)NCCc1nncn1C1CC1)N1CCCC1 71896404 QEHCVTAZVMHNTA-OAHLLOKOSA-N 305.426 1.392 0 40 DDAB C[C@@H](O)CN1CCN(Cc2nccn2CC(F)(F)F)C[C@H]1C 71864630 ZVUSLHSJAQLBAI-VXGBXAGGSA-N 320.359 1.332 0 40 DDAB O=S1(=O)CC[C@H](NCc2ccc(Br)s2)C1 19900396 HQFWJRGNCUNOJF-ZETCQYMHSA-N 310.238 1.787 0 40 DDAB COC[C@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 83897986 VLMQVOJPUNKPNJ-HUUCEWRRSA-N 324.808 1.793 0 40 DDAB CN(Cn1ncn(C)c1=S)[C@@H]1CCN(CC(F)(F)F)C1=O 71900368 JWVLHJULQBDTLJ-MRVPVSSYSA-N 323.344 1.004 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 9725220 JIHDUVFYVCBMGS-CABCVRRESA-N 322.430 1.604 0 40 DDAB CN(Cc1cc2n(n1)CCNC2)C[C@H]1COc2ccccc2O1 72162094 UYNWBHNBRHCXDI-HNNXBMFYSA-N 314.389 1.258 0 40 DDAB CCc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 72191557 BTNDXYDPBMLUKW-UHFFFAOYSA-N 320.374 1.807 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccncc2)cc1 97098690 LDLIHBLNXBBPNT-ZDUSSCGKSA-N 318.398 1.982 0 40 DDAB Cc1nc(CC(=O)N2CCn3c(nnc3C(C)C)C2)cs1 72279871 YYIQYHSWUWEPQQ-UHFFFAOYSA-N 305.407 1.751 0 40 DDAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2ncnn2C)o1 97161760 PMWUXYVVTWECCL-NSHDSACASA-N 305.338 1.924 0 40 DDAB CC(=O)N[C@@H]1CCCN(Cc2nc3ccccc3[nH]c2=O)C1 97201620 MHBLGPSNDJHXDP-GFCCVEGCSA-N 300.362 1.024 0 40 DDAB CC(C)CNC(=O)CCc1nnc2ccc(OC(C)C)nn12 72406257 MNXMWMJHGRPDOF-UHFFFAOYSA-N 305.382 1.616 0 40 DDAB CC(=O)N(C)CC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 84656067 XVOCMQIXSHHPRW-CYBMUJFWSA-N 303.406 1.942 0 40 DDAB CCc1ccc([C@H]2COCCN2c2ccc3nnnn3n2)o1 95407818 PLCJMJGFELCYOD-LLVKDONJSA-N 300.322 1.253 0 40 DDAB O=c1[nH]c(NC[C@H](O)CN2CCCCC2)nc2ccccc12 97995056 IPEGEENQCBRQAN-LBPRGKRZSA-N 302.378 1.182 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)NCc2nnc3n2CCC3)C1(C)C 73568835 TYJZHWGFUMRWNJ-MEBBXXQBSA-N 307.398 1.227 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N3CCOC[C@@H]3C(=O)O)cc2C1 88373651 UBOATGWKARPJEY-MWLCHTKSSA-N 309.387 1.799 0 40 DDAB O=C(NCC1(O)CCOCC1)c1ccc2[nH]c(=S)oc2c1 74197325 UKSXVLHLFCRTDX-UHFFFAOYSA-N 308.359 1.762 0 40 DDAB CC(C)[C@H](NCc1nccn1C(C)C)C(=O)N1CCOCC1 95985485 ONNAHGHEICRVEQ-HNNXBMFYSA-N 308.426 1.437 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)C2(O)CCSCC2)C1 95979261 SZELYCWREVAVAU-GFCCVEGCSA-N 314.451 1.009 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccccn2)c(=O)[nH]1 75111070 OTRNWEVKWKMKSJ-GFCCVEGCSA-N 300.362 1.947 0 40 DDAB COC(=O)c1cccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 75107155 UNIMULQJMPJOKK-CYBMUJFWSA-N 314.345 1.638 0 40 DDAB Cc1nc(NCCCN2CCOCC2)nc2c1C(=O)C[C@H](C)C2 20101113 VNMKNKXRYLZGBM-GFCCVEGCSA-N 318.421 1.684 0 40 DDAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCC(C(N)=O)CC1 408702050 AITCAIHXQGQYLS-HNNXBMFYSA-N 320.389 1.577 0 40 DDAB CCOC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409117930 RQSNHQQESCZVNK-UHFFFAOYSA-N 315.391 1.563 0 40 DDAB CSCCCCCNC(=O)CNC(=O)c1ccc(O)cc1 547862501 CFZBKDFOUOSTMP-UHFFFAOYSA-N 310.419 1.772 0 40 DDAB Cn1cc(C(=O)NS(=O)(=O)[C@@H]2CC3CCC2CC3)ccc1=O 408491212 GLKCLFTUIMSKFG-GCZXYKMCSA-N 324.402 1.024 0 40 DDAB C[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cnn(C)c1 74473287 VIJLFHOZVWIAMV-RISCZKNCSA-N 318.381 1.678 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 72341464 ZNDKDDDFWCYFPL-AGIUHOORSA-N 301.390 1.552 0 40 DDAB O=C1[C@@H](Nc2nc(-c3ccccc3)ns2)CCCN1CCO 130054583 BSXMYOREOXKKNX-LBPRGKRZSA-N 318.402 1.600 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 74689355 WTEKPWUHOJTPBI-GOEBONIOSA-N 318.417 1.966 0 40 DDAB CCO[C@@H]1C[C@H](NS(=O)(=O)CCN2CCCC2)C12CCC2 192720728 IGRRHSKLWFJCHP-UONOGXRCSA-N 316.467 1.349 0 40 DDAB C[C@](O)(CN[C@H]1CCC[C@H](C(F)(F)F)C1)CN1CCOCC1 130062902 DJRZHXXZJQTRLT-IHRRRGAJSA-N 324.387 1.780 0 40 DDAB O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)c1cccc(C(F)(F)F)c1 85468834 MJQKKRUKHLSTSU-MVWJERBFSA-N 303.280 1.567 0 40 DDAB CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)cn1 225513648 XPPMTOMVWLJIIF-GFCCVEGCSA-N 300.362 1.625 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)[C@H](NC(C)=O)C(C)C)cc1 40040755 BORJWPYEUWTJCE-OAHLLOKOSA-N 305.378 1.422 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccccc1 224220868 VLDVSZAVYKQUPK-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCSc1ncn[nH]1 222952575 RQUZJMKUMUNEBR-UHFFFAOYSA-N 312.782 1.989 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2ccco2)C1 96227193 OZIFHBOHZOJGOP-XJKSGUPXSA-N 305.378 1.726 0 40 DDAB C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(-n2ccnn2)cc1 96492472 CEFFYMZYPCOTBK-GFCCVEGCSA-N 301.394 1.833 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc[nH]1)C2 96215205 WSLHLJQNCXECDD-AWEZNQCLSA-N 311.407 1.045 0 40 DDAB Cc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)nn1 96186491 ZTQBICOGWMOHBX-KBPBESRZSA-N 312.377 1.293 0 40 DDAB Cn1cc(CN[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cn1 96189731 RCFVXSHZESNCGI-INIZCTEOSA-N 312.417 1.639 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96221769 MOZJIZIADSFLCZ-CQSZACIVSA-N 306.362 1.257 0 40 DDAB CCS(=O)(=O)[C@@H](CO)C(=O)c1ccc(Cl)cc1Cl 96518816 KWWBWMOVOORRPQ-JTQLQIEISA-N 311.186 1.972 0 40 DDAB Cc1cnc(C(=O)N2C[C@@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cn1 96070479 RNXFTYUIVWBEIU-TUKIKUTGSA-N 311.345 1.177 0 40 DDAB Cn1cc(CCCNC(=O)/C=C/c2ccc(C(=O)O)cc2)cn1 96479772 WMFRJXWDBPMDBX-RMKNXTFCSA-N 313.357 1.881 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)nn1CC)CC[C@H]2OC 96108533 FSVTWJIQLVSBTI-NUEKZKHPSA-N 320.437 1.393 0 40 DDAB COC(=O)c1ncn(CC(=O)c2ccccc2F)c1C(=O)OC 98211168 QTGFTIUTGVXVDT-UHFFFAOYSA-N 320.276 1.478 0 40 DDAB COc1ccc(-c2cc(C(=O)NCCN(C)C)n[nH]2)cc1OC 95471168 YOAJFWOHXMNPCS-UHFFFAOYSA-N 318.377 1.385 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCN1c1ccccc1 96306489 PJVOMPAWSXEILN-UHFFFAOYSA-N 311.345 1.355 0 40 DDAB COc1cccc(NC(=O)c2cc(N3CCOCC3)ncn2)c1 242461889 BQYQVRXRHUWVMG-UHFFFAOYSA-N 314.345 1.574 0 40 DDAB CN(C)C(=O)C[C@H]1CN(Cc2ccsc2)Cc2ccnn21 247948108 BIVLRGBJJYNXAU-AWEZNQCLSA-N 304.419 1.980 0 40 DDAB COc1ccc(Cn2cc(NS(=O)(=O)C3CC3)cn2)cc1 252508858 XWBACOHLRXMQQQ-UHFFFAOYSA-N 307.375 1.844 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 257326444 WXFVMGITFJRWBH-ZDUSSCGKSA-N 316.336 1.341 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 257340247 ZFECWOFRKACNSX-ZDUSSCGKSA-N 304.394 1.122 0 40 DDAB O=C(Nc1ccncc1)C1CN(c2cc(-n3cccn3)ncn2)C1 253470946 AGOBQDOPDBWLFK-UHFFFAOYSA-N 321.344 1.132 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@@]12CCCO2 257245089 IOBBOKOYPDZDTG-RDJZCZTQSA-N 315.373 1.973 0 40 DDAB O=C([C@H]1CCCCO1)N1CCC2(CC(Nc3ccncn3)C2)C1 257253514 JZFWNCKVJPQUBB-XOYHFGRZSA-N 316.405 1.839 0 40 DDAB Cc1nnc(NC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)s1 85473738 KHGVVQFXBUSSCR-QMMMGPOBSA-N 323.403 1.072 0 40 DDAB Nc1n[nH]c2c(Br)cn(C[C@H]3CCCO3)c(=O)c12 575421919 CZJFWFXTJZWBHP-ZCFIWIBFSA-N 313.155 1.248 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)Cc1ccnc(C)c1 585278584 UVKWJMNHLCPNFR-KRWDZBQOSA-N 319.405 1.076 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1c1ncccn1 585182044 ZADSYWIHRSJXSJ-JTQLQIEISA-N 307.379 1.335 0 40 DDAB CC1(C)C[C@]2(CCCN2C(=O)c2ccoc2)[C@H](CC(N)=O)O1 585287722 CEZBYEDJAIBHMB-BLLLJJGKSA-N 306.362 1.697 0 40 DDAB CN1CCO[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 58282965 RQZKRFZBLWTLCF-INIZCTEOSA-N 304.390 1.536 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCOc2ccccc21 89801929 VYQMFLTWATVOGZ-HIFRSBDPSA-N 302.374 1.536 0 40 DDAB CCn1c(=O)n(CC(=O)N(C(C)C)C(C)C)c2cccnc21 12117584 BRIDQPNHZKJHGJ-UHFFFAOYSA-N 304.394 1.863 0 40 DDAB CC(=O)c1ccc(NC(=S)NCCN2CCOCC2)cc1 16191326 ZCUROKVCFYDKGS-UHFFFAOYSA-N 307.419 1.508 0 40 DDAB COc1ccc(OC)c(/C=C2/SC(=O)N(CCN)C2=O)c1 16215195 MLGNNFQZGJAJOK-XYOKQWHBSA-N 308.359 1.699 0 40 DDAB COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N(C)C 16322881 FWLUSYUOWNQECH-UHFFFAOYSA-N 314.407 1.474 0 40 DDAB Cc1nc([C@H]2CCN(Cc3cnc(C(C)C)nc3)C2)cc(=O)[nH]1 19285284 FZURHNPRKAQADR-AWEZNQCLSA-N 313.405 1.981 0 40 DDAB COc1ccc(CCNC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937388 XBWCENUATNTVHX-UHFFFAOYSA-N 315.373 1.297 0 40 DDAB Cc1nc(C2CC2)nc(N2CCN(S(C)(=O)=O)CC2)c1C 1888860548 YSTUMAKEFASIFI-UHFFFAOYSA-N 310.423 1.052 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)n(C)c1 29687954 OFOXRNKJUQUOJA-UHFFFAOYSA-N 313.423 1.386 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc2ccccc2s1 38488400 HIBINQVBZORYRC-UHFFFAOYSA-N 316.342 1.163 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)Cc1cccc(OC)c1 225631783 GBSSZGLEPYKLBF-KBPBESRZSA-N 307.346 1.027 0 40 DDAB Cn1nccc1-c1ccc(CNC(=O)NC2CCOCC2)cn1 575619235 JMURBWXSRGQHIH-UHFFFAOYSA-N 315.377 1.460 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CC(n2cc(C3CC3)nn2)C1 585149138 BZXXTEMQEHWFON-UHFFFAOYSA-N 312.329 1.581 0 40 DDAB CCN1CCN(c2ncnc3c2ncn3C[C@H]2CCCO2)CC1 2298047892 RJBXTRUMWUWALQ-CYBMUJFWSA-N 316.409 1.147 0 40 DDAB Cn1c(O)c(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 5730893 KLYHLQOLYDFMGL-SNVBAGLBSA-N 302.330 1.153 0 40 DDAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 40498530 QSXCWSFUBCBVEB-JSGCOSHPSA-N 310.419 1.596 0 40 DDAB COCCOCC(=O)N[C@@H](c1ccccc1)c1nccn1C 40476132 CZWOTONUFPNHAN-HNNXBMFYSA-N 303.362 1.289 0 40 DDAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CC(=O)N(C2CC2)C1 40498655 MTSUQDSAQXLRHS-NSHDSACASA-N 311.345 1.217 0 40 DDAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2nccs2)c1 51357071 SBFKDPRGSXDVNL-UHFFFAOYSA-N 320.326 1.725 0 40 DDAB CC1(C)Cc2c(c(N3CCOCC3)nc3snc(N)c23)CO1 215680 MVOHETXWYAQBNN-UHFFFAOYSA-N 320.418 1.961 0 40 DDAB aggregator CCCCn1c(=O)nc2n1C(=O)N(c1cccc(OC)c1)C2 32104720 JLAFZPFAIDQFKY-UHFFFAOYSA-N 302.334 1.842 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@@H]3C2=O)cc1 101358791 CNSQTPWCHATLQE-ZFWWWQNUSA-N 307.309 1.683 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(c2nc3ccccc3o2)C1 52049192 DPWVAYXVOQXNBM-NSHDSACASA-N 309.391 1.593 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1 4497847 JOMCDZRNPJSYQF-ZDUSSCGKSA-N 305.378 1.234 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)OCc1ccc(C(N)=O)cc1 32842568 CONDDHVQFBLJLI-SNVBAGLBSA-N 316.313 1.240 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@@H]1N(C)C 76056692 CTAUVSVKVNEQNJ-OCCSQVGLSA-N 302.378 1.547 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 60573885 YGPSCEOWQNCHAJ-STQMWFEESA-N 306.410 1.869 0 40 DDAB Cn1c(=O)c2[nH]c(Cc3ccc(Cl)cc3)nc2n(C)c1=O 487043 FITFXSXBDCWXIG-UHFFFAOYSA-N 304.737 1.205 0 40 DDAB biogenic Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)o1 69845718 DKOVBWSOGVYHSV-UHFFFAOYSA-N 313.357 1.510 0 40 DDAB Cc1ccc(CN(C)C(=O)c2cccc(S(N)(=O)=O)c2)o1 47466260 BSMPLTYMMYZHEE-UHFFFAOYSA-N 308.359 1.508 0 40 DDAB CNC(=O)c1cccc(CNC(=O)Nc2cc(C)nn2C)c1 47499351 QZAVQWRCNSZEPA-UHFFFAOYSA-N 301.350 1.410 0 40 DDAB CCCC(=O)N[C@](NCC(C)C)(C(=O)OCC)C(F)(F)F 22632872 PHAJQRKQNHZYHW-GFCCVEGCSA-N 312.332 1.970 0 40 DDAB Cc1ccn2c(=O)c(C(=O)NCCCOC(C)C)c(O)nc2c1 9830153 NTWUXDXVRYBVIA-UHFFFAOYSA-N 319.361 1.253 0 40 DDAB O=C1CCN(C(=S)NCCSc2ccccc2)CCN1 54302167 HUQFIYXYMQTAJH-UHFFFAOYSA-N 309.460 1.475 0 40 DDAB COc1ccc(-c2nc(CNC(=O)c3c[nH]c(C)n3)no2)cc1 76016714 LEYGYAQDWKJEOE-UHFFFAOYSA-N 313.317 1.707 0 40 DDAB CC(C)CN1C(=O)C(=O)N(CN2CCc3ccccc3C2)C1=O 23995835 LOIFEXMARGZPGO-UHFFFAOYSA-N 315.373 1.449 0 40 DDAB CCN(CC)CCNC(=O)c1sc(-c2ncccn2)nc1C 54847155 VRQJCJPALFSPQY-UHFFFAOYSA-N 319.434 1.980 0 40 DDAB Cc1cccnc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 12527177 JDMOAIOELRMBBY-UHFFFAOYSA-N 310.313 1.032 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24779962 HUXIOVPFHZZVJX-CYBMUJFWSA-N 314.393 1.357 0 40 DDAB Cc1noc(C)c1CN1C(=O)N[C@](C)(c2ccccn2)C1=O 76696235 VJHWJVCSEAKSRO-OAHLLOKOSA-N 300.318 1.654 0 40 DDAB CCC[C@H](C)N1C[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 77506311 JPHAJNCDFQPVJT-RYUDHWBXSA-N 314.389 1.960 0 40 DDAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1 24959898 OKNNUAUETFRIAW-QMMMGPOBSA-N 323.374 1.337 0 40 DDAB COc1ccc(OCC(=O)OCC(=O)NC2CCCC2)cc1 3241235 OLYQFMWVKOPDCK-UHFFFAOYSA-N 307.346 1.676 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 100484044 DZWMBXNPBAFQCI-FQUUOJAGSA-N 321.329 1.521 0 40 DDAB CC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(C)cc1 3256087 JCXBRWDQGFQRQW-NSHDSACASA-N 305.407 1.978 0 40 DDAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccs1 26819015 AFLRGJKWMQVBPX-SECBINFHSA-N 321.445 1.417 0 40 DDAB CCO[C@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 58215906 JUWOPXIJOOOPHR-GFCCVEGCSA-N 305.378 1.227 0 40 DDAB COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OC(C)C 58228358 HYFIFHHZSNBHOE-GFCCVEGCSA-N 306.362 1.491 0 40 DDAB CN(C)C[C@H](Cc1ccccc1)NC[C@@H]1CNc2ccnn2C1 58296097 PBHCWQIBZUJFIH-SJORKVTESA-N 313.449 1.687 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccncc1 44909917 ULGGPCYERIEOPG-CYBMUJFWSA-N 312.377 1.464 0 40 DDAB CCN(CC)CCNC(=O)c1cc2c(C)nn(C)c2nc1C 44910888 UTXJSXRWSLVZKQ-UHFFFAOYSA-N 303.410 1.657 0 40 DDAB COc1cccc([C@H](CNC(=O)NCc2cc[nH]n2)N(C)C)c1 48248626 QUVGNVWOSFNJOC-HNNXBMFYSA-N 317.393 1.520 0 40 DDAB CC(C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58345106 MQHQSIKEHOSHCM-UHFFFAOYSA-N 324.446 1.860 0 40 DDAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)NC(N)=O 12764496 HOADUYIPBJTICX-QMMMGPOBSA-N 324.768 1.462 0 40 DDAB O=C(NC[C@@H]1CCOC1)NC[C@@H](c1ccco1)N1CCCC1 48302359 GQTLSSKFOARQMN-KBPBESRZSA-N 307.394 1.752 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)NC[C@H]1CCOC1 48302361 GQTLSSKFOARQMN-KGLIPLIRSA-N 307.394 1.752 0 40 DDAB COc1ccc(NC(=O)NCCCS(C)(=O)=O)cc1OC 69378789 KIAKNMBAFPPIGO-UHFFFAOYSA-N 316.379 1.260 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@@H]3CCc4ccccc4C3)nn12 69322637 AANISTKJTFALSB-CQSZACIVSA-N 307.357 1.720 0 40 DDAB COc1ccc(CN(C)C(=O)CSc2ncn[nH]2)cc1F 12983981 UACBYXVDFPLLEO-UHFFFAOYSA-N 310.354 1.703 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc2ccccc2[nH]1 48963429 KMUWBVDVKCRUJT-UHFFFAOYSA-N 323.418 1.569 0 40 DDAB c1cnc(-c2nc(CN[C@@H]3CCc4ncnn4C3)cs2)nc1 69491709 LEPNPJUMOILITQ-SNVBAGLBSA-N 313.390 1.296 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(CC(N)=O)CC1 49396310 WOADFCGGJUIBFY-NSHDSACASA-N 308.353 1.707 0 40 DDAB COC[C@@H](O)CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 65428624 OWWZJEDDIYFUSD-AAEUAGOBSA-N 324.377 1.168 0 40 DDAB O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)N1 65437611 QIKDEHRWGBSHGR-QWHCGFSZSA-N 305.378 1.201 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2Cl)nn1 65538837 FFOKGYIYCFDQEV-SECBINFHSA-N 321.768 1.175 0 40 DDAB O=C(Nc1cn[nH]c1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 65566274 FSKWEESKJSQFBJ-CYBMUJFWSA-N 313.361 1.836 0 40 DDAB Cn1cc(CN2CCCN(C(=O)c3ccsc3)CC2)cn1 65589347 FQKPBKRSDFLSGE-UHFFFAOYSA-N 304.419 1.830 0 40 DDAB C[C@@H]1CCC[C@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1 69655957 CLMWTLKWSGTHDK-DGCLKSJQSA-N 317.455 1.146 0 40 DDAB O=C(NC1CCC(O)CC1)C1CCN(C(=O)c2ccco2)CC1 14121472 FLBGGKYSVWXWMB-UHFFFAOYSA-N 320.389 1.552 0 40 DDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H]2CCOC2=O)C(C)C)cc1 14249969 BXSMMRVTJDTQLB-KGLIPLIRSA-N 319.357 1.608 0 40 DDAB CC1CCC2(CC1)CC(=O)N(CC(=O)NCC1CCC1)C2=O 66468663 GBAZSJNUAAYAIJ-UHFFFAOYSA-N 306.406 1.858 0 40 DDAB NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408601349 FUWZVFFWQNBLSE-UHFFFAOYSA-N 312.391 1.115 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCCCC1 6998606 GUBZXMLTKAERMP-UHFFFAOYSA-N 314.407 1.983 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccccn2)cc1 18768710 NEOBODREXBUZSJ-UHFFFAOYSA-N 319.338 1.525 0 40 DDAB O=C(CN1CCSC1=O)Nc1cccc(N2CCCC2=O)c1 7491941 MQPPGBBERWGMMF-UHFFFAOYSA-N 319.386 1.921 0 40 DDAB CCN1C[C@@H](C(=O)Nc2cccc(-c3noc(O)n3)c2)CC1=O 68297159 VIULRVVISBGWCX-JTQLQIEISA-N 316.317 1.249 0 40 DDAB COC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 7997141 HZTDCMMMBCQZEE-UHFFFAOYSA-N 317.367 1.402 0 40 DDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2c(c1)N(C)CC2 96011217 KGHAMWDYYACRGG-NWDGAFQWSA-N 324.446 1.573 0 40 DDAB O=C(CCSc1ccc(F)cc1)NCC(=O)Nc1cn[nH]c1 71849879 NJRPVEZNJKQETA-UHFFFAOYSA-N 322.365 1.786 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c1 71869776 BOGJNRGFASDQDT-AWEZNQCLSA-N 300.362 1.195 0 40 DDAB C[C@H](O)CN1CCN(Cc2ccn(-c3ccccc3)n2)CC1 71847287 MZIALDXFXFTLNU-HNNXBMFYSA-N 300.406 1.371 0 40 DDAB CN(C)c1nccc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)n1 97084353 HVRHVYMNVFPOSW-CQSZACIVSA-N 317.368 1.340 0 40 DDAB CN(C)C1(CNc2ncc(Br)cn2)CCOCC1 71905262 AUWOBMIACWQCQW-UHFFFAOYSA-N 315.215 1.762 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)nn1 83969954 GYZDMZSPYTVDIM-LLVKDONJSA-N 315.333 1.723 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)n1 72253035 HKGLLSDOUHSFCB-CVEARBPZSA-N 304.438 1.975 0 40 DDAB CCc1ncc(C(=O)N[C@H]2CCc3nnc(CC)n3C2)s1 97198594 FRQOMKSSAQJSMG-VIFPVBQESA-N 305.407 1.604 0 40 DDAB COc1cccc(CCNC(=O)NC2CCC(O)CC2)c1O 72309518 ZXHBNHNSCJWNPL-UHFFFAOYSA-N 308.378 1.546 0 40 DDAB O=C(N[C@@H]1COc2ccccc21)c1cnc2n(c1=O)CCS2 95390017 DRLGZFOGECLWOL-LLVKDONJSA-N 315.354 1.213 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(Cc3ccncc3)C[C@@H]2C)CC1 84714490 ZMLPSWOHNQXHOI-YJBOKZPZSA-N 316.449 1.456 0 40 DDAB CCN(C[C@@H](O)c1ccc(C)cc1)S(=O)(=O)c1c[nH]cn1 95433350 GYOADPVVLGWGRE-CYBMUJFWSA-N 309.391 1.462 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccc(C)n1)CC2 95400662 SJTJXEZHNZWJAJ-LSDHHAIUSA-N 304.390 1.782 0 40 DDAB CS(=O)(=O)N(CC(=O)O)Cc1ccc(Br)cc1 408610907 PAZWKWRJJAHYAL-UHFFFAOYSA-N 322.180 1.295 0 40 DDAB CC1(C)CN=C(N2CCN(C(=O)c3ccncc3F)CC2)S1 85263255 ZEPQRCJULMSIPF-UHFFFAOYSA-N 322.409 1.860 0 40 DDAB NC1=NC(=O)[C@@H](CC(=O)NCC2C3CC4CC(C3)CC2C4)S1 95979818 WTVPDMUKOZZOAI-KLXKCYDASA-N 321.446 1.522 0 40 DDAB Cc1c(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)cccc1C(=O)O 95954257 HMEHWEYMZUOYAM-SNVBAGLBSA-N 313.375 1.843 0 40 DDAB CCOC(=O)CN1CCCN(c2ccnc3ccncc23)CC1 85688150 FSNPSDHNAQPDOO-UHFFFAOYSA-N 314.389 1.705 0 40 DDAB CNC(=O)c1ccc(N2CCC[C@@H](Nc3ccccc3)C2)nn1 89391911 GMGDHMQHQIEPCB-CQSZACIVSA-N 311.389 1.917 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)cc1N(C)C 89644154 BYPDKZNYDKULLB-INIZCTEOSA-N 324.446 1.862 0 40 DDAB O=C(O)CCCNC(=O)CCCNC(=O)NC1CCCCC1 89818449 KTOBUXLQLUNKCN-UHFFFAOYSA-N 313.398 1.380 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1CCOC1)c1ccc2c(c1)CC(=O)N2 89905045 SJCXYFLELYYPGC-GHMZBOCLSA-N 303.362 1.578 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 35220092 FODQSXKGWVHQMA-UHFFFAOYSA-N 315.366 1.708 0 40 DDAB COc1c[nH]c(C(=O)Nc2ccc3nc(CO)[nH]c3c2)cc1=O 524735615 NSKNLQFBDJPUOE-UHFFFAOYSA-N 314.301 1.004 0 40 DDAB COc1ccc(C[C@]2(c3ccc(F)cc3)NC(N)=NC2=O)cc1 71974884 KAOHLRRBMOCLLJ-QGZVFWFLSA-N 313.332 1.717 0 40 DDAB CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 35378272 PBFRAGSHIAZFCB-UHFFFAOYSA-N 324.812 1.578 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc3cccnc23)C1 72368739 AQLVPDJLAAVRPL-ZDUSSCGKSA-N 319.430 1.906 0 40 DDAB COc1cccc(C(=O)NCCc2csc3nncn23)c1 74831104 OBSBHTVDPZCNTK-UHFFFAOYSA-N 302.359 1.772 0 40 DDAB COc1ccc(S(=O)(=O)N2CCc3ncsc3C2)cc1 41194290 FIHSLEIVHMGQIV-UHFFFAOYSA-N 310.400 1.899 0 40 DDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958059 UYTXIODAEVWNAC-CYBMUJFWSA-N 318.373 1.439 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2CSCCC(=O)N2)c1 227115505 YXZMYSKPTHLFAD-LLVKDONJSA-N 310.375 1.264 0 40 DDAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccccc1F 224168702 LKYSMLRQXURFKU-UHFFFAOYSA-N 316.336 1.382 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2 227161654 HYAMVVCIEXEWTM-JTQLQIEISA-N 312.391 1.509 0 40 DDAB Cc1nc(NC(=O)c2ccc(-n3ccnc3)nn2)sc1C 75163823 GZSAPTFXFKATRV-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(C(=O)C2=CCCCC2)CC1 225479059 CYLRSBXTDOOKLM-AWEZNQCLSA-N 307.438 1.544 0 40 DDAB O=C(Cc1c[nH]c2ncccc12)N[C@@H](Cc1ccccc1)C(=O)O 192415691 MHTURWWNOUTTKA-HNNXBMFYSA-N 323.352 1.918 0 40 DDAB O=C(c1ccoc1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188362 ZCBONVCLLWXVKW-AWEZNQCLSA-N 314.389 1.844 0 40 DDAB CCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@@H]2COC 96045178 JWCHKLMMHWYTOM-GFCCVEGCSA-N 302.378 1.628 0 40 DDAB CN(CC(=O)NC[C@H]1CCCO1)Cc1nc2c(s1)CCCC2 96447117 MKFZKVZATASSBX-GFCCVEGCSA-N 323.462 1.749 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 96057485 PQFPFPNFMXPIBL-RBSFLKMASA-N 324.446 1.633 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2C[C@@H](C)O)c1 96487117 JMGCJBMCZZRPFZ-UKRRQHHQSA-N 304.390 1.487 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(c4ncc(F)cn4)C[C@H]3O2)no1 96046188 BKSHFYBPNQECQP-MVWJERBFSA-N 305.313 1.664 0 40 DDAB CN(C)C(=O)NC[C@@H]1CC12CCN(Cc1cccnc1)CC2 96238294 XDIIQJJSUBRDAL-HNNXBMFYSA-N 302.422 1.955 0 40 DDAB CCN1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 96242439 NNNGIJNKZXNRNB-UHFFFAOYSA-N 315.461 1.944 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1ccsc1)OCC2 96044300 BURQTGAYQMAXJQ-ZDUSSCGKSA-N 321.402 1.635 0 40 DDAB CC(C)NC(=O)[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1 96224919 RHIGGAPFRILEMK-CQSZACIVSA-N 318.421 1.767 0 40 DDAB O=C(C1CC1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076552 OHXCKIAPFWGCCZ-QGZVFWFLSA-N 316.405 1.332 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 96053955 WSOKJUGVXABURN-OKILXGFUSA-N 321.446 1.574 0 40 DDAB C[C@](Br)(C(=O)c1ccc(N)cc1)S(C)(=O)=O 96518591 ZWTFWNAVMKQMEZ-SNVBAGLBSA-N 306.181 1.607 0 40 DDAB O=C(C1CC=CC1)N1CC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 96219469 FLGGFBXUYHILPA-YOEHRIQHSA-N 314.389 1.615 0 40 DDAB CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccs1 96056533 UXDVKVMXKKRKKZ-ZIAGYGMSSA-N 321.446 1.402 0 40 DDAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 96181473 QIINWIFLQMBCSC-HOTGVXAUSA-N 304.390 1.810 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)c1cn(C)nc1C(C)(C)C 97372398 JMZQCRQXKQEESM-GFCCVEGCSA-N 309.410 1.595 0 40 DDAB O=C(C1CCCC1)N1CCN(CCN[C@H]2CCSC2)CC1 96477535 BZTFIHCINWPKTQ-HNNXBMFYSA-N 311.495 1.416 0 40 DDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCNC1 257334184 YEXGIVFSKSJWKJ-SNVBAGLBSA-N 305.403 1.749 0 40 DDAB CCN1CCN(c2nn(-c3ccccc3F)nc2C(=O)O)CC1 256049333 ZKPCHUXNLQOZML-UHFFFAOYSA-N 319.340 1.247 0 40 DDAB O=C(CC1CCCCC1)N1CC[C@](O)(CN2CCOCC2)C1 257303363 SGWXJPVQQZCTEJ-KRWDZBQOSA-N 310.438 1.252 0 40 DDAB CNC(=O)c1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 257306113 SSYQMUGOYJQTRM-LLVKDONJSA-N 316.336 1.538 0 40 DDAB CN(C)c1cc(CC[C@H]2CN(C(=O)C3CC3)CCO2)ccn1 257246394 ITYVFIKIHGUGGF-HNNXBMFYSA-N 303.406 1.718 0 40 DDAB O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccoc1 285547329 IFPCGSSRGBFPRV-WCQYABFASA-N 315.391 1.126 0 40 DDAB Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)nn1C 575410747 FGLIPTRBAOITBQ-GDBMZVCRSA-N 310.357 1.898 0 40 DDAB Cc1nc(C(=O)NCC[C@H]2CN(C)Cc3ccnn32)cs1 585112985 ZNIQFOQFVPSBHS-NSHDSACASA-N 305.407 1.455 0 40 DDAB O=C(NCCc1cccs1)N1CCN(C[C@H]2CCCO2)CC1 58248355 LQMHTQLKOXDDOK-CQSZACIVSA-N 323.462 1.797 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cncn1 69327362 KOJCTGLJDHLVPS-KBPBESRZSA-N 302.382 1.535 0 40 DDAB CCC[C@H](NC(C)=O)C(=O)Nc1nncn1Cc1ccccc1 75140696 CDJQIAKQFUCQGM-AWEZNQCLSA-N 315.377 1.570 0 40 DDAB C[C@@H](CNC(=O)Cc1cn2ccsc2n1)CC1(C)OCCO1 96437322 DCGWZYIQSFFEPQ-LLVKDONJSA-N 323.418 1.844 0 40 DDAB Cc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)on1 11360348 RWVDVBYOSSOAGT-UHFFFAOYSA-N 309.347 1.285 0 40 DDAB CCOC(=O)c1c(C)c2c(n1C)CC[C@@H](C(=O)OCC)C2=O 5835383 JJKMUUTZCNPDAE-SNVBAGLBSA-N 307.346 1.818 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCC[C@]1(C)C(=O)NC1CCCC1 19746737 TVTJJSYWENLJSA-QGZVFWFLSA-N 318.421 1.782 0 40 DDAB CN(N)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl 153192 VDHGHBDDDLJESP-UHFFFAOYSA-N 303.124 1.988 0 40 DDAB CNC(=O)c1ccc(B(O)O[C@]2(C)CC[C@H]3C[C@H]2C3(C)C)cn1 504697701 HZZKWWZLSMDZHF-PZSREKOKSA-N 316.210 1.360 0 40 DDAB in-vitro Cc1cc(O)nc2nnc(SCC(=O)NC3CCCCC3)n12 15881748 XBGBDYAPDVPBDR-UHFFFAOYSA-N 321.406 1.679 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ccn(C)n2)C1 390829184 DEXOBINOJXDXGL-CYBMUJFWSA-N 302.378 1.974 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCC2 4461681 MLKHQJPUVCOQSC-UHFFFAOYSA-N 310.375 1.629 0 40 DDAB CN(c1ccccn1)C1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 1889061993 GWTPMKMKVFUJAX-AWEZNQCLSA-N 323.462 1.417 0 40 DDAB O=S(=O)(Cc1ccccc1F)N1CCC(n2nccn2)CC1 238928110 UUYCSQANNIYFCJ-UHFFFAOYSA-N 324.381 1.584 0 40 DDAB COc1cccc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)c1 2037980755 HMLANNYLMAZIKW-GOSISDBHSA-N 318.417 1.909 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)cc1 200628 WFMGGLZFKUJQBD-UHFFFAOYSA-N 319.317 1.529 0 40 DDAB O=C(NCc1ccccc1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352024 YBIHADVCCSHACW-AWEZNQCLSA-N 318.373 1.105 0 40 DDAB CCOC(=O)/C(=C/N(C)C)S(=O)(=O)c1ccc(OC)cc1 1775970433 MVCGLXVDWLJPBT-RAXLEYEMSA-N 313.375 1.435 0 40 DDAB COc1cc(OC)nc(N2CCC(Oc3nccs3)CC2)n1 2086884439 TZXVPOAMBGFMGS-UHFFFAOYSA-N 322.390 1.998 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@@H]1C[C@H](O)[C@@H](CO)C1 107286704 LAAVOIIZVVFMLN-VYDXJSESSA-N 315.369 1.467 0 40 DDAB CCc1nc2[nH]c(CSc3nccc(C)n3)cc(=O)n2n1 101397292 SXHGLGYYFLXPDZ-UHFFFAOYSA-N 302.363 1.371 0 40 DDAB CC(=O)Nc1ccc(NC(=O)COc2c(C)[nH]ccc2=O)cc1 40268274 TZMNZFODNISGPM-UHFFFAOYSA-N 315.329 1.659 0 40 DDAB 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DDAB Cc1ccc(S(=O)(=O)Nc2c(C)nc3ncnn3c2O)cc1 9560713 QVFTZDKXHHIIAJ-UHFFFAOYSA-N 319.346 1.248 0 40 DDAB Cc1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 22547498 RORHRAYJAUFALJ-HNNXBMFYSA-N 311.403 1.376 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53863747 SDLIHHYMVOFFFK-BONVTDFDSA-N 323.418 1.820 0 40 DDAB CC[C@H](CO)NC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12391134 PFBUXCOLEYIQMU-LLVKDONJSA-N 300.318 1.719 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cn1 47223969 QFMBAUPXGFLDPG-UHFFFAOYSA-N 308.334 1.805 0 40 DDAB C[C@H]1CCCN(C(=O)COc2cccc(S(C)(=O)=O)c2)C1 47368213 QDMRQHOCEUFKAQ-LBPRGKRZSA-N 311.403 1.727 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)/C=C/c2cnn(C)c2)CC1 25754270 UKKPEIZPOLCIPS-SNAWJCMRSA-N 304.394 1.197 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)Cn2ccnc2)C12CCC2 76066574 VWHKAULZTZRYJW-BFHYXJOUSA-N 306.410 1.919 0 40 DDAB C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc2c(c1)OCCO2 44576371 FHQYJPSSYXUSEK-QWRGUYRKSA-N 302.334 1.488 0 40 DDAB COc1ccccc1-c1noc(C[C@@H]2CCS(=O)(=O)C2)n1 69702487 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303.339 1.675 0 40 DDAB CS(=O)(=O)NC1(C(=O)NC2CCCCC2)CCCCC1 49065410 GAHHJUYNXUFJMG-UHFFFAOYSA-N 302.440 1.687 0 40 DDAB C[C@@H]1CC(=O)c2cc(C(=O)NCc3ccncc3)c(=O)[nH]c2C1 49551684 YOYGYEOEKNTYDU-JTQLQIEISA-N 311.341 1.465 0 40 DDAB CCCCc1nnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)s1 4392574 MBCFAAAYKLHOLQ-VIFPVBQESA-N 317.436 1.644 0 40 DDAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NCCO 69185253 JOLYZGYDLDJYQP-UHFFFAOYSA-N 305.378 1.781 0 40 DDAB C[C@H](CNC(=O)Nc1ccc(-n2cncn2)nc1)N1CCCC1 65452450 KUXCCKAHJQWIFA-GFCCVEGCSA-N 315.381 1.268 0 40 DDAB CCN1CC[C@@H](CNC(=O)Nc2ccc(OCCOC)nc2)C1 65494037 VJYUAYLVWWDSIJ-ZDUSSCGKSA-N 322.409 1.570 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)NC[C@H]1CN2CCC[C@@H]2CO1 69508561 LKQZURBTNGQIHW-VWWYUBIBSA-N 322.355 1.957 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCC[C@H](C2OCCO2)C1 69266521 GJGXNFNVQLYLFY-LBPRGKRZSA-N 309.337 1.816 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H]1CN(C)CCO1 65624572 MWUYNZRGFZMVJE-QGZVFWFLSA-N 314.433 1.909 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)n1 70041016 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319.336 1.458 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c(C)c1 585139908 UNNGOHBRRFVECP-JSGCOSHPSA-N 312.435 1.717 0 40 DDAB COc1ccc(F)cc1CC(=O)N1CCO[C@H](C(=O)C2CC2)C1 581059553 HDVFYPLRSNAJAA-HNNXBMFYSA-N 321.348 1.583 0 40 DDAB NC(=O)c1ccc(Cn2c(NCCO)nc3ccccc32)cc1 54847684 XJSARJAXCHQMAN-UHFFFAOYSA-N 310.357 1.588 0 40 DDAB CO[C@H](C(=O)N=c1nc[nH]n1C)c1ccccc1C(F)(F)F 934822168 NMQOUJOEMDURKC-JTQLQIEISA-N 314.267 1.582 0 40 DDAB COC(=O)CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 56490601 VOALFZGRCRBWQM-OAHLLOKOSA-N 320.345 1.381 0 40 DDAB CCCCCNC(=O)CN1CCN(CC2CCOCC2)CC1 77176308 OCLDLIAUNGJCTP-UHFFFAOYSA-N 311.470 1.337 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2ccncc2Cl)CC1 167331331 FOJADDHQUNJWQR-UHFFFAOYSA-N 301.799 1.349 0 40 DDAB N[C@]12CCC[C@H]1CN(C(=O)c1ncc(Br)cn1)C2 1580158408 RBIFCJSRVNRJPX-UFBFGSQYSA-N 311.183 1.193 0 40 DDAB Fc1cnc(N2CC(Cn3cc(Br)cn3)C2)nc1 1889084191 XJJUSXYBHMRJMP-UHFFFAOYSA-N 312.146 1.711 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2cccnc2)oc1=O 12115867 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40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)on1 40481424 GGCDKVYAZCIJFX-UHFFFAOYSA-N 316.361 1.449 0 40 DDAB CN(C)c1ccc(NC(=O)C(=O)[C@H]2C(=O)Nc3ccccc32)cc1 100509810 QKZOAMZONMZZQW-HNNXBMFYSA-N 323.352 1.996 0 40 DDAB COCC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 40540696 VEIUUKMSNOPQCE-UHFFFAOYSA-N 311.451 1.731 0 40 DDAB CC(=O)NC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 51280845 NFQZDJYXECSDAU-JKSUJKDBSA-N 301.390 1.853 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 29200435 WTGBALFXHCSLBD-SECBINFHSA-N 318.345 1.119 0 40 DDAB NS(=O)(=O)c1cccc(CNc2ncnc3ccccc23)c1 29588537 OSFDYXJBOTWIQH-UHFFFAOYSA-N 314.370 1.889 0 40 DDAB CC1CCC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 2175461 UANANTFEOFSZPA-UHFFFAOYSA-N 318.373 1.726 0 40 DDAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)C 3276833 IKWFYPUTQSTJBY-ZDUSSCGKSA-N 319.449 1.780 0 40 DDAB O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCCCC1 4249546 VPBWDZFJQXKNIR-UHFFFAOYSA-N 307.379 1.141 0 40 DDAB C[C@H](CNC(=O)c1cc(-c2ccccc2)[nH]n1)N1CCOCC1 29959902 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O=C(CN1C(=O)NC2(Cc3ccccc3C2)C1=O)c1ccccc1 54920883 YBFZHANSOJVATD-UHFFFAOYSA-N 320.348 1.959 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cccnc2)c1 24359627 ZIRFOEOHJODQCS-NSHDSACASA-N 320.370 1.908 0 40 DDAB COc1cccc(N2CCN(C(=O)Nc3nncs3)CC2)c1 43128684 BEAYYYBQSNZTRC-UHFFFAOYSA-N 319.390 1.901 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1 100174999 QBAAYTJNDVIWIZ-XDQVBPFNSA-N 313.309 1.306 0 40 DDAB CCN1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 106657033 MYDYOIGQCGZYBR-KBPBESRZSA-N 303.472 1.237 0 40 DDAB CC[C@H]1CN(CCC(=O)NC2CCCC2)CCN1C[C@H](C)O 107136597 GBFCJQYMCAKNTJ-HOCLYGCPSA-N 311.470 1.212 0 40 DDAB COCCNC(=O)NC(=O)CNc1cccc2c1CCCC2 12542849 IRENYEPIRMXQAP-UHFFFAOYSA-N 305.378 1.450 0 40 DDAB Cc1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)cnn1C(C)(C)C 44405971 INVPXCWTFPLIDD-CQSZACIVSA-N 314.389 1.903 0 40 DDAB COC(=O)COc1ccc(C(=O)N2CCOC[C@@H]2C)cc1OC 44492568 VXIHJJKAXWHDNS-NSHDSACASA-N 323.345 1.108 0 40 DDAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCOCC1 57748114 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C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 48324350 HRBXVISBVLCDRW-ZWNOBZJWSA-N 314.382 1.715 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@H](C)n2ccnc2)CC1 45857418 BOEDXXGZHLGSPU-AWEZNQCLSA-N 314.389 1.802 0 40 DDAB O=C(CCCN1C(=O)c2ccccc2C1=O)NC1=NCCS1 3559511 VGDZCVFWHKUYBQ-UHFFFAOYSA-N 317.370 1.282 0 40 DDAB COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)nc2onc(C)c12 63247033 MQTAGMMNBMPARC-QMMMGPOBSA-N 305.334 1.721 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CCC(CC(N)=O)CC1 49394919 OWBKLVSMMHSAOL-UHFFFAOYSA-N 304.390 1.660 0 40 DDAB CCOc1ccc(Cl)c(C(=O)N2CCn3c(C)nnc3C2)n1 69571421 YNAQCDPNUXZKJX-UHFFFAOYSA-N 321.768 1.690 0 40 DDAB CCN(CCNC(=O)c1ccc(OC)c(OC)c1OC)C1CC1 69518450 WEVHVRFNJPDKIK-UHFFFAOYSA-N 322.405 1.927 0 40 DDAB Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2 13691647 KRVOMVBABKGITK-JTQLQIEISA-N 323.715 1.901 0 40 DDAB CCCOC(=O)CCC(=O)NC(=S)Nc1nccs1 5044047 WBECVCQCYVIFFO-UHFFFAOYSA-N 301.393 1.690 0 40 DDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCCCCC1 5088948 GYIZVNAWRXGNRB-UHFFFAOYSA-N 303.341 1.882 0 40 DDAB NC(=O)NC(=O)COC(=O)CCCc1nc2ccccc2s1 6171124 VDLRRUZSYPECJC-UHFFFAOYSA-N 321.358 1.357 0 40 DDAB CN(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 5245142 WXGFRPVEZNFWBP-UHFFFAOYSA-N 323.356 1.496 0 40 DDAB O=C(NC[C@@H]1CCOC1)Nc1cc(C(F)(F)F)c[nH]c1=O 65476223 WTDKHPWWGOSRNC-ZETCQYMHSA-N 305.256 1.552 0 40 DDAB C[C@@H](C1CC1)N(C)C(=O)Cn1nnc(COc2ccccc2)n1 65576546 OMSPBNHLXKMZJK-LBPRGKRZSA-N 315.377 1.509 0 40 DDAB CCNC(=O)Nc1cccc(F)c1C(=O)Nc1cnn(C)c1 65613623 GOWIWIIEVWNOBU-UHFFFAOYSA-N 305.313 1.953 0 40 DDAB Cn1nccc1CNC(=O)c1ccc(NC(=O)NC2CC2)cc1 24650318 HNFMKLWUZVFZBC-UHFFFAOYSA-N 313.361 1.634 0 40 DDAB O=C1CO[C@H]2CN(C3CCOCC3)C[C@H]2N1Cc1ccccc1 67897088 GYVKLTQHEOPYFE-SJORKVTESA-N 316.401 1.277 0 40 DDAB biogenic,in-vitro Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccc(OCC2CC2)cc1 69813862 DIQBMXCDDZFPEF-UHFFFAOYSA-N 314.345 1.858 0 40 DDAB Cc1noc(CNC(=O)NC(C)(C)c2ccc3c(c2)OCO3)n1 66194785 BBHRPUOMMQEYLO-UHFFFAOYSA-N 318.333 1.841 0 40 DDAB O=C(O)COCC(=O)NCc1cccc(Br)c1 4784752 MCYDPSCGVVFYKM-UHFFFAOYSA-N 302.124 1.167 0 40 DDAB C[C@H](CNC(=O)c1nc2ccccc2[nH]1)CN1CCN(C)CC1 69975694 HLFZQDHPIRWUOB-CYBMUJFWSA-N 315.421 1.176 0 40 DDAB COCCn1c(C)nc2c(cnn2-c2ccc(F)cc2)c1=O 6756494 OBMWLAWZDKHOKN-UHFFFAOYSA-N 302.309 1.676 0 40 DDAB CC1CCN(C(=O)Cn2c(CCO)nc3ccccc32)CC1 8786138 GXXHTQOQIBCORR-UHFFFAOYSA-N 301.390 1.830 0 40 DDAB CCc1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 4936952 LGCBAMBQGCARJC-UHFFFAOYSA-N 300.343 1.966 0 40 DDAB C[C@H]1CC[C@H](CO)CN1C/C=C/CN1C[C@@H](CO)CC[C@@H]1C 110695557 ILXKADWHYPCQNI-IAWBDPGVSA-N 310.482 1.728 0 40 DDAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[C@H]1CCCO1 7080467 BOPHNTNWWKSGGQ-CXAGYDPISA-N 300.358 1.949 0 40 DDAB Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 80599531 KRVKRNPCWPLNLZ-ZFWWWQNUSA-N 324.446 1.721 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(F)c1 8994754 AMLMIHWWKBNZIP-UHFFFAOYSA-N 313.288 1.468 0 40 DDAB Cc1cccc2nc(CNC(=O)N[C@@H]3CCCC[C@H]3CO)cn12 81494465 IMHQMEGTLOGERV-DZGCQCFKSA-N 316.405 1.993 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc(-n3cncn3)cc2)[C@H]1C(=O)O 71285058 UZYSTBBBALVSII-NEPJUHHUSA-N 300.318 1.563 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1F 9366673 VDCKCCQZFWQAGE-ZCFIWIBFSA-N 308.342 1.294 0 40 DDAB CC(C)(C)OC(=O)N1CCN(CCNCc2ccco2)CC1 78552839 NNLSSGPZDFPGTM-UHFFFAOYSA-N 309.410 1.922 0 40 DDAB COc1ccc(CNc2cc(N3CCC[C@H]3CO)ncn2)cn1 72276039 POVVLFWJDJBKGG-ZDUSSCGKSA-N 315.377 1.453 0 40 DDAB O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1n[nH]c2c1CCC2 96344347 IYOACTFZIFFILK-DOMZBBRYSA-N 302.422 1.893 0 40 DDAB CCc1noc(-c2ccc(-n3cnc(C(=O)NC4CC4)c3)nc2)n1 71768332 PMKDLJHXVFKFFC-UHFFFAOYSA-N 324.344 1.772 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](c2ccn[nH]2)C1 72282820 LQJQWBQUZSGOTH-BLLLJJGKSA-N 313.357 1.956 0 40 DDAB Cc1csc(N2CCN(C[C@H](O)Cn3cccn3)C[C@@H]2C)n1 71877499 JLEUVCBXBNLZOO-KBPBESRZSA-N 321.450 1.220 0 40 DDAB CCCCn1nc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1=O 71874879 ULLOYTJGVDUYKB-AWEZNQCLSA-N 318.421 1.354 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3ccnn3C)CC2)nn1 71863600 JWNVVTLIGARSIX-UHFFFAOYSA-N 300.366 1.235 0 40 DDAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCc1nnc2n1CCC2 83855600 FSPPLDBGXQNQRQ-WDEREUQCSA-N 309.439 1.650 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)Cc3cscn3)C2)no1 72234563 VSWKLCAPVMMNPS-ZDUSSCGKSA-N 307.423 1.931 0 40 DDAB CCn1nnc2cc(C(=O)N[C@H]3CCc4nccn4C3)ccc21 97197325 YIOHAFZBWXFAHT-LBPRGKRZSA-N 310.361 1.393 0 40 DDAB CC(C)c1cccc(NC(=O)NCCCc2n[nH]c(=O)[nH]2)c1 72313544 VKNLVUSXEYDMSW-UHFFFAOYSA-N 303.366 1.976 0 40 DDAB O=C(Nc1cnn(-c2ccccc2)c1)N(CCO)CCCO 72309904 QKYHMMVYRRLNTG-UHFFFAOYSA-N 304.350 1.081 0 40 DDAB NC(=O)OCCNC(=O)Cc1cc(F)ccc1Br 97371412 YFKPNIMKOYEOGT-UHFFFAOYSA-N 319.130 1.342 0 40 DDAB C[S@@](=O)CCNC(=O)c1cnc2c(cnn2C2CCCC2)c1 95398018 BDZPEWQWHKLFFT-QFIPXVFZSA-N 320.418 1.655 0 40 DDAB CCc1cc(NCc2cc(C(N)=O)no2)nc(-c2ccccn2)n1 79099102 QXLSOXFOZIAENW-UHFFFAOYSA-N 324.344 1.800 0 40 DDAB CN1CCO[C@H](C(=O)N(Cc2ccc(O)cc2)CC2CC2)C1 95427653 JBSXJKUAXZUWKU-INIZCTEOSA-N 304.390 1.461 0 40 DDAB CNC(=O)c1cccc(N(C)C[C@H](O)c2ccc(F)cc2)n1 95403205 HBYPBLUKEXIKNQ-AWEZNQCLSA-N 303.337 1.750 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 79054067 LMAFSDVIHRMLCY-SSDOTTSWSA-N 316.188 1.935 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CN(C)CCO1 88201300 BOEHDHPPXUULKC-WBVHZDCISA-N 317.433 1.574 0 40 DDAB COC(C)(C)c1noc(Cc2csc(N3CCNC3=O)n2)n1 85237023 VTIFKODLBOWMBG-UHFFFAOYSA-N 323.378 1.528 0 40 DDAB O=C([C@@H](O)c1ccccc1)N1CCCC[C@H]1CN1CCOCC1 74365824 KNOJMUYPCDHSSX-IRXDYDNUSA-N 318.417 1.433 0 40 DDAB Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 89200312 FUWJOFVPSVKSTG-UHFFFAOYSA-N 320.370 1.648 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125417 ORSSGEPRUSBKKH-JTQLQIEISA-N 313.317 1.045 0 40 DDAB NC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCCc1ccccn1 89883632 WZZWCHBXRWSOHD-LSDHHAIUSA-N 303.406 1.955 0 40 DDAB Cc1ccc(CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 26748395 KRDAAULJQOTOJR-UHFFFAOYSA-N 318.398 1.881 0 40 DDAB COc1ccc(-n2nnnc2C(C)(C)N2CCOCC2)cc1 35622419 RVQVQKNCANGSDB-UHFFFAOYSA-N 303.366 1.238 0 40 DDAB C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@]12CCN(C)C2=O 306129613 IIFAMOWWIGWRPL-SJKOYZFVSA-N 304.365 1.695 0 40 DDAB CC[C@@]1(C)CN(C(=O)NCc2nccn2C(F)F)CCO1 188185344 MYCGZMSHGIUMEN-ZDUSSCGKSA-N 302.325 1.989 0 40 DDAB CCC(=O)C1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 516848618 RJBGCURCSOYRPP-XEZPLFJOSA-N 309.406 1.931 0 40 DDAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 32778219 NTEYNUPUTYSZLP-BXUZGUMPSA-N 316.357 1.356 0 40 DDAB Cc1ccc(/C=C/c2nc3c(O)nc(=O)n(C)c3[nH]c2=O)c(C)c1 521398787 AJCKTARCPIAIGC-VOTSOKGWSA-N 324.340 1.510 0 40 DDAB N[C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc2c(c1)OCO2 72227630 LFBDARJRDSQXOR-LSDHHAIUSA-N 300.289 1.970 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(Cc2nccc(C(F)(F)F)n2)C1=O 520205850 PYMMNLNOFUAYGE-LBPRGKRZSA-N 314.267 1.716 0 40 DDAB Cc1nc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c(-c2ccccc2)o1 529767513 KTYGWHNDKZPYLR-KGLIPLIRSA-N 316.357 1.920 0 40 DDAB O=C(CN1CCCC1=O)N1CCN(c2ccccc2F)CC1 74695955 XJDBKUZXGYLYPE-UHFFFAOYSA-N 305.353 1.097 0 40 DDAB CC(C)c1nnc(CN2CCc3ccc(S(N)(=O)=O)cc32)o1 72661597 ZVAYZCCTOAMOMV-UHFFFAOYSA-N 322.390 1.403 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2nccnc2C(=O)N2CCCC2)C1 72387215 FQXWZTBAEVYSLK-AWEZNQCLSA-N 316.405 1.514 0 40 DDAB O=C(C[C@H](CN1CCCCC1)C(=O)O)Nc1ccc(O)cc1 72405363 RNGDTKGDCYZVSA-GFCCVEGCSA-N 306.362 1.908 0 40 DDAB Cn1nnc(-c2cccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)c2)n1 71285826 DXYAPFKQMVPLBE-GHMZBOCLSA-N 315.333 1.172 0 40 DDAB Cc1nc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)n[nH]1 78603800 IDUHKVRZGWBUEM-UHFFFAOYSA-N 322.390 1.225 0 40 DDAB Cc1cc(CO)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222604 SHONNCCOIGFXLT-UHFFFAOYSA-N 307.394 1.939 0 40 DDAB COCCNC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 78550640 ZMMOAGBNMITORU-UHFFFAOYSA-N 311.426 1.313 0 40 DDAB CCCCCOc1ccc(S(=O)(=O)NCCO)cc1C 41105589 SYBQCLXKDSNDTI-UHFFFAOYSA-N 301.408 1.835 0 40 DDAB O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1CC[S@](=O)C1 571830612 BSFMJEMLQPLNTK-GTJPDFRWSA-N 307.419 1.324 0 40 DDAB CC(=O)Nc1cnn(CC(=O)N(C)Cc2ccc(F)cc2)c1 571819778 JXFNQDVNDLAECI-UHFFFAOYSA-N 304.325 1.639 0 40 DDAB COC(=O)[C@@H](CNC(=O)c1cccn1C)c1ccc(F)cc1 192764095 BIVAZOVCTIFLEB-ZDUSSCGKSA-N 304.321 1.851 0 40 DDAB Cc1nnnn1-c1ccccc1C(=O)NCC(=O)c1ccccc1 95475955 MPCDUFQSUCXBJU-UHFFFAOYSA-N 321.340 1.583 0 40 DDAB COCCC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 96207019 OCPXFZSBXHFVKG-AWEZNQCLSA-N 307.394 1.305 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)[nH]n1 96454791 ROPTYWGUPIQTSB-AWEZNQCLSA-N 320.437 1.403 0 40 DDAB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)CCC(=O)O)COC3 96112427 TXPQHZUPCQBBCK-NSHDSACASA-N 317.345 1.397 0 40 DDAB biogenic,in-vitro COC[C@@H]1CCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 96447206 BODGZTZCFKUTLO-CYBMUJFWSA-N 309.414 1.335 0 40 DDAB O=C(Cc1ccon1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 331512466 JHFCXMDNZZNLIQ-SMDDNHRTSA-N 308.284 1.830 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)CC1CC1)C2 96227056 JBTOTKXEEHVFKT-MAUKXSAKSA-N 313.401 1.737 0 40 DDAB O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2C2CCC2)O1 96065529 PKKZOIOEKXPQNK-MGPQQGTHSA-N 302.378 1.590 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)c4occc4C)C[C@@H]32)n1 96219103 TUYVSDDMHFRVAY-YNEHKIRRSA-N 317.345 1.609 0 40 DDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)N1CCCC1)C2 96215774 UREIVQCDROVEGA-SJLPKXTDSA-N 321.465 1.883 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 96038885 SPRWTBCDOOIMEC-RRFJBIMHSA-N 306.431 1.864 0 40 DDAB O=C(c1ccno1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 247865119 OICSICSAIMCUDO-VNHYZAJKSA-N 306.362 1.721 0 40 DDAB Cc1cc(CN2Cc3cncn3[C@@H](C(=O)NC3CCC3)C2)no1 247883366 CSHYGWWMKVKNEK-OAHLLOKOSA-N 315.377 1.405 0 40 DDAB Cc1ocnc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257334137 YERXZHWVWMAWTA-GFCCVEGCSA-N 302.334 1.945 0 40 DDAB CC(=O)N1CCN(C(=O)C2CCOCC2)[C@@H](c2ccccc2)C1 257212680 CEMVVHUVQMPTSG-QGZVFWFLSA-N 316.401 1.845 0 40 DDAB Cc1nccn1CCNC(=O)c1cccnc1O[C@H]1CCOC1 253408045 XBRJZHQCVJQURZ-ZDUSSCGKSA-N 316.361 1.184 0 40 DDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 257254211 KCEZGCSEQXVRBR-AWEZNQCLSA-N 314.393 1.547 0 40 DDAB CN(C)c1nc([C@@H]2CCCN2S(C)(=O)=O)cn2cccc12 257276646 NUOQHDOOAUGJJW-LBPRGKRZSA-N 308.407 1.497 0 40 DDAB CC(=O)N1CCC[C@@H]2N(C(=O)c3ccnnc3)CCC[C@@]21C 257266799 MEOHXLUYRWFOBQ-HOCLYGCPSA-N 302.378 1.482 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)CCc2ccccc2F)CCO1 257277713 NZCKAJQUAFTBDT-INIZCTEOSA-N 308.353 1.122 0 40 DDAB Cc1nc2ccc(N3CCN(c4nccs4)CC3)nn2n1 252508665 XQNVQFYVJBYLHE-UHFFFAOYSA-N 301.379 1.216 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CN(Cc3nccs3)CCO2)n1 257209978 BSQCRAQFMIZRGV-ZDUSSCGKSA-N 319.434 1.568 0 40 DDAB CN(C(=O)c1ccccc1F)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257233916 GRIVFWDHBFFOKF-BZUAXINKSA-N 306.381 1.885 0 40 DDAB Cc1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)nc(O)n1 257287762 PRKFOPWIEQJJAZ-OAHLLOKOSA-N 312.373 1.620 0 40 DDAB NC(=O)CCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 42622908 PPFPXIXJRYMHPP-UHFFFAOYSA-N 311.263 1.805 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)Nc3cccnc3)ccc2NC1=O 252483982 FLPMEGAUHBHKHM-VIFPVBQESA-N 319.342 1.602 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@@H]1c1ccn[nH]1 257308983 TZAAUNVHWPFOMF-OAHLLOKOSA-N 317.393 1.963 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257247401 IYWPQMZSEKXRLK-OAHLLOKOSA-N 319.405 1.770 0 40 DDAB CCc1n[nH]c(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)c1C 257211521 BZFBHUVXXAYNNX-GUYCJALGSA-N 318.421 1.944 0 40 DDAB Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)ns1 278158503 CRTUPXXTYYODDY-UHFFFAOYSA-N 318.402 1.613 0 40 DDAB CN(C)c1cc(CNC(=O)c2ccnc(-n3ccnc3)c2)ccn1 48268397 RWTREDRZFLXNGP-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB CC(C)n1cnnc1S(=O)(=O)[C@H](C)C(=O)N1CCCCC1 48326379 CASQUAPPTMOHEK-LLVKDONJSA-N 314.411 1.034 0 40 DDAB CN(C)c1ccc(CNCc2cnc(N3CCCC3)nc2)cn1 48711455 PYSIAFYETDOQSG-UHFFFAOYSA-N 312.421 1.828 0 40 DDAB CCCN1CCC(NC(=O)[C@@H](C)Sc2ncccn2)CC1 58367252 KCSNJZBZZZRCRH-GFCCVEGCSA-N 308.451 1.948 0 40 DDAB CCS[C@H]1CCCCN(C(=O)NCCN2CCOCC2)C1 69808953 YIJCSXUXZFZSAL-AWEZNQCLSA-N 315.483 1.636 0 40 DDAB Cc1ccc(C[C@@H](CNC(=O)c2cnn(C)c2C)C(=O)O)cc1 97018832 GFJKBKWSCFGOLG-AWEZNQCLSA-N 315.373 1.710 0 40 DDAB Cc1ncnc(N2CCN(c3ncnc4c3cnn4C)CC2)c1C 881786734 MBSXQPPPKGVDGJ-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB O=C1N[C@]2(CCCN(C(=O)c3ccccn3)C2)Nc2ccccc21 12089248 RVDWOECFDQZFKA-SFHVURJKSA-N 322.368 1.869 0 40 DDAB C[C@H]1CN(C(=S)c2cn(-c3ccccc3O)nn2)C[C@@H](C)O1 16949461 SWLZYTFWYHNITN-PHIMTYICSA-N 318.402 1.758 0 40 DDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 101273856 PGVYZTOFBSMEEA-GFCCVEGCSA-N 307.371 1.923 0 40 DDAB COc1cccc2cc(C(=O)N[C@@H]3C[C@H](O)[C@@H](CO)C3)oc12 107286250 ZVZQIRCADHHDJO-WOPDTQHZSA-N 305.330 1.303 0 40 DDAB biogenic COc1cccnc1NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 556358513 DFRCNZUGDPUKNQ-SNVBAGLBSA-N 310.375 1.244 0 40 DDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)[C@H]1CCCO1 575616847 NJXVGJUZLMQTHN-SNVBAGLBSA-N 304.306 1.397 0 40 DDAB Cc1nnsc1C(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575607218 YLDJDDNEQTVVQI-SNVBAGLBSA-N 323.353 1.459 0 40 DDAB O=C1NC(=O)[C@@]2(CCN(c3nc4c(F)cc(F)cc4s3)C2)N1 1888866555 JVHOSRYRUCSNMN-ZDUSSCGKSA-N 324.312 1.363 0 40 DDAB O=C([C@@H]1CN(Cc2cccc(F)c2)CCO1)N1CCSCC1 1888904375 JKQGGCUYRFWWHW-HNNXBMFYSA-N 324.421 1.602 0 40 DDAB O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCCCC1 23995832 FJFVDPMXIIAWBH-UHFFFAOYSA-N 311.407 1.093 0 40 DDAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)no1 38630207 IFXRRPNELCXAQA-ZDUSSCGKSA-N 305.334 1.379 0 40 DDAB CC(=O)N[C@H]1CC2(CCN(C3CCCC3)CC2)OC[C@]1(C)O 2037849864 XHRCLBCXFVUGPV-HOTGVXAUSA-N 310.438 1.440 0 40 DDAB O=S(=O)(Nc1nncs1)c1ccc(-n2cccn2)cc1 2087106518 LDZXSPCWYVQVMI-UHFFFAOYSA-N 307.360 1.525 0 40 DDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 1565542322 QIFLYULXHDRQKW-GOEBONIOSA-N 310.413 1.695 0 40 DDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1cccc2ccccc12 5258060 GTFVUDLSGJYNIY-HNNXBMFYSA-N 316.357 1.594 0 40 DDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 5251096 RTEJCDCSAAFZSZ-VIFPVBQESA-N 300.717 1.713 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1cccnc1 13806288 LPIGHSNTOZGLMU-UHFFFAOYSA-N 306.325 1.944 0 40 DDAB CC(=O)N1CC[C@]2(CCC[C@@H](CNC(=O)c3cccnc3)O2)C1 2055830267 JQPNBFRGIRATGX-DOTOQJQBSA-N 317.389 1.372 0 40 DDAB Cc1cc(NCc2ccc(CS(N)(=O)=O)cc2)nc(C)n1 40497103 FZDDWONDEVRBLI-UHFFFAOYSA-N 306.391 1.494 0 40 DDAB Cc1cc(NC(=O)CS(=O)(=O)Cc2ccccc2F)no1 40496799 HTSIOEMERNSUJB-UHFFFAOYSA-N 312.322 1.676 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cc(=O)c2ccccc2o1 40521424 RBBCIKQRXWMRFS-NSHDSACASA-N 300.314 1.192 0 40 DDAB Cc1nc(C(=O)N2CCOC[C@@H]2C)nn1-c1ccc(F)cc1 40509710 VYZWKUZGJHGAGF-JTQLQIEISA-N 304.325 1.576 0 40 DDAB COc1ccccc1O[C@H](C)C(=O)NCCCN1CCOCC1 20567987 GLNOOIAOEWLZSQ-CQSZACIVSA-N 322.405 1.301 0 40 DDAB COc1cccc(-c2nc(CC(=O)NCC(=O)O)cs2)c1 20724750 ZATARHFUFXWPPS-UHFFFAOYSA-N 306.343 1.562 0 40 DDAB C[C@@H]1COCCN1C(=O)NCc1ccccc1Cn1cncn1 45926912 AWGVVVXPXVZXON-CYBMUJFWSA-N 315.377 1.257 0 40 DDAB CNC(=O)CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1 413215 GNMTUJBEAULMAQ-SNVBAGLBSA-N 322.390 1.555 0 40 DDAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(N)=O 422468 FZVUOCYYPNAJFP-UHFFFAOYSA-N 305.407 1.796 0 40 DDAB CNC(=O)C1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 46673514 PFYYZICRFQUBMT-UHFFFAOYSA-N 308.382 1.110 0 40 DDAB O=C(NC1CCOCC1)NC1[C@H]2CCC[C@H]1CN(C1CC1)C2 102382905 PLYLKFUXWCSVPY-STQMWFEESA-N 307.438 1.728 0 40 DDAB CN(C)[C@H](CNC(=O)CSc1ncccn1)c1ccccc1 6913410 LUSMPTABJJQCQQ-CQSZACIVSA-N 316.430 1.988 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)c1cccnc1S 32828351 AKKQBSOMYJZFLI-UHFFFAOYSA-N 311.370 1.881 0 40 DDAB O=C([C@@H]1CCCN(c2ccnc(C3CC3)n2)C1)N1CCOCC1 110126301 CSJXHIRHBQQBHC-CQSZACIVSA-N 316.405 1.429 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)O[C@H](C)C(=O)OC)ccc21 8132384 IVESVHWKCQXIKS-SNVBAGLBSA-N 318.329 1.443 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C(N)=O)sc1C 91042941 GDEHPOZALQLXFK-UWVGGRQHSA-N 302.421 1.297 0 40 DDAB O=C(c1ccc(Cl)cn1)N1CCC[C@@H]1CN1CCOCC1 76066812 JSDFTXDWMNOKRI-CYBMUJFWSA-N 309.797 1.672 0 40 DDAB COc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c(C)c1 76083394 AXIKEAKTXYEBNW-OAHLLOKOSA-N 320.433 1.826 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1 76045705 JBTYOMKNTAWGOE-CQSZACIVSA-N 314.345 1.357 0 40 DDAB O=C(O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100664270 QEVOOOHLWGANKM-WFILCITHSA-N 309.321 1.942 0 40 DDAB Cc1cc(C)cc(OCCN(C)C(=O)CCSCC(N)=O)c1 23082499 BYUFMNDCWZHMCZ-UHFFFAOYSA-N 324.446 1.749 0 40 DDAB C[C@@H](C(=O)/N=c1/sccn1C)N1C(=O)c2ccccc2C1=O 105000172 QNKCPTQIXMKRAA-FZQCLQRZSA-N 315.354 1.199 0 40 DDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)Cc1cnn(C)c1 24479460 BLTQZEUHZKHBDZ-AATRIKPKSA-N 307.785 1.787 0 40 DDAB COc1cccc([C@H](O)CSc2n[nH]c(=O)n2C2CC2)c1 24763790 CDFKEPCTWJAUNQ-GFCCVEGCSA-N 307.375 1.741 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1nccc2ccccc12 43512497 MIMJGHVFYXMFOU-OAHLLOKOSA-N 302.355 1.925 0 40 DDAB CN1N=C(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)CCC1=O 55999402 GYTGEPJXKZRFNL-AWEZNQCLSA-N 317.364 1.967 0 40 DDAB Cc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)n1 25760248 YIYMQEGSLRTBJS-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCc3c(Cl)cccc32)C1 56902413 RPQLVDMDDRQRHS-TVQRCGJNSA-N 307.781 1.844 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)o1 57323856 VDKOTJUHMBQJTN-SNVBAGLBSA-N 314.349 1.568 0 40 DDAB C[C@H](CNC(=O)N1CCO[C@H](Cc2ccccc2)C1)[S@@](C)=O 108377320 FCOCIKMUQYIQQK-QCPUYCGNSA-N 324.446 1.407 0 40 DDAB CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 57554807 CJEUNJILJRZSIE-GFCCVEGCSA-N 305.353 1.751 0 40 DDAB NC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958508 CVHARKYIQWCMOP-RYUDHWBXSA-N 301.312 1.439 0 40 DDAB CN1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 110687555 BHYRYNKDWUBKTK-CHWSQXEVSA-N 316.323 1.607 0 40 DDAB CCc1cnc(CN(C)[C@@H]2CCN([C@@H]3C[C@H](C)OC3=O)C2)o1 78891950 XNGYDVVPUPKDEH-OUCADQQQSA-N 307.394 1.447 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 8181004 HWYPMMVMGIUSET-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2CCCCCCC2)c(=O)[nH]1 62293386 OEIFQTHVXIYPRD-UHFFFAOYSA-N 306.362 1.633 0 40 DDAB CCN(CC)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 12972504 HDBJATBCAYJZCL-UHFFFAOYSA-N 321.377 1.838 0 40 DDAB CCOc1ccccc1OCC(=O)NCCc1nccn1C 69384547 CSLNPIIIICAFCX-UHFFFAOYSA-N 303.362 1.557 0 40 DDAB Cc1c(C(=O)N2N=C2SCC(=O)O)sc(=S)n1C 13693459 PXRWYHQYRVWUEW-UHFFFAOYSA-N 303.390 1.669 0 40 DDAB Cc1ncc2c(n1)CN([C@@H](C(N)=O)c1ccc(F)cc1)CC2 69418449 ZYNWIROCWZSRQI-OAHLLOKOSA-N 300.337 1.509 0 40 DDAB CC(=O)c1sc(NC(=O)C[C@H]2CCS(=O)(=O)C2)nc1C 4392239 BNWTZSFGEGSRRD-SECBINFHSA-N 316.404 1.417 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 65398737 VONRGPZTDWIEBN-LSDHHAIUSA-N 317.389 1.300 0 40 DDAB Cc1cc(C(=O)CN2CCC(CN3CCOCC3)CC2)c(C)[nH]1 69560516 KEYUOEGHGUUZDX-UHFFFAOYSA-N 319.449 1.858 0 40 DDAB CC1CCN(C[C@H](O)CN2CCC(Cn3cccn3)CC2)CC1 65623810 BGXBMEOSZAIHTA-SFHVURJKSA-N 320.481 1.688 0 40 DDAB O=S1(=O)N=C2CCCN2[C@@H](c2ccccc2OC(F)F)N1 6550027 WZCGLPOSBJCZMG-NSHDSACASA-N 317.317 1.629 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NCc1ccncc1 8746890 HTBGPDJGHMPPRR-UHFFFAOYSA-N 304.371 1.562 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)Cn1cccn1 66292051 QZQIFEBMFTYYIG-UHFFFAOYSA-N 301.346 1.393 0 40 DDAB CC(C)NC[C@H](O)COc1ccc([C@@H](O)COCC2CC2)cc1 5760472 NDOYCLDFWYZWIO-WMZOPIPTSA-N 323.433 1.884 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)c1nnnn1-c1ccccc1 6835447 CMACZRALEPXVEC-CQSZACIVSA-N 323.356 1.939 0 40 DDAB CCC[C@@H]1C[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 96003091 OPBVFBOWLCZBBE-DJIMGWMZSA-N 324.465 1.951 0 40 DDAB Cc1cc(C)n2ncc(C(=O)N(C)CCN3CCCC3=O)c2n1 84109784 ZDDRDKAHHCYLIB-UHFFFAOYSA-N 315.377 1.041 0 40 DDAB O=C1O[C@H](N2CCN(C(=O)c3ccco3)CC2)c2ccccc21 19842897 LNXAKLKGUXLIKB-INIZCTEOSA-N 312.325 1.907 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)n1 72235183 UEOHPWYJDUSOHF-ZDUSSCGKSA-N 301.350 1.061 0 40 DDAB COc1cccc(CCC(=O)N2CCCn3ncnc32)c1OC 71839366 GDZFUKGEWPCQAI-UHFFFAOYSA-N 316.361 1.665 0 40 DDAB CC(C)Oc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1 71829574 UHESREIFKXETBK-DGCLKSJQSA-N 305.378 1.595 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1 71821055 HCMKMFHJTJMMAJ-GFCCVEGCSA-N 304.365 1.971 0 40 DDAB CC(C)(C)c1nnnn1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 71839269 XNSIPOQNIYKFCU-RYUDHWBXSA-N 307.398 1.141 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1 72299178 QBJZVWGEHUTOMC-CYBMUJFWSA-N 317.393 1.889 0 40 DDAB N[C@@H]1CCN(C(=O)c2c(F)cc(Br)cc2F)C1 94716942 YIWMBUIXYKYARC-SSDOTTSWSA-N 305.122 1.901 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1cn(-c2ccccc2)nn1 97197578 PKSNLXMYMVIWRB-GFCCVEGCSA-N 308.345 1.209 0 40 DDAB CCN(C[C@@H]1CN(Cc2ccccn2)CCO1)c1cccnn1 84774658 VWHYJQFRSJCRDR-INIZCTEOSA-N 313.405 1.599 0 40 DDAB Nc1cccnc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 95448016 QCLPIVJPFHMZPL-UHFFFAOYSA-N 307.256 1.738 0 40 DDAB O=S(=O)(Cc1ccccc1F)Nc1ccc2nncn2c1 95941041 CZTVHKLALOZBML-UHFFFAOYSA-N 306.322 1.810 0 40 DDAB C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCC[C@@H]3CN)ccc2O1 95972637 IDIIJUZCRGYDEB-JTNHKYCSSA-N 310.419 1.416 0 40 DDAB C[C@H](SCCN1CCOCC1)c1nnnn1-c1ccccc1 95977054 IVMUGCLDUJIGHN-ZDUSSCGKSA-N 319.434 1.789 0 40 DDAB O=S(=O)(N[C@@H]1CCNC1)c1c(F)c(F)c(F)c(F)c1F 95996584 IPFHOUGBRYIWSM-SCSAIBSYSA-N 316.251 1.022 0 40 DDAB C[C@]1(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)CCCS1 95939487 VTYRAQBFKRPTBA-ZYHUDNBSSA-N 306.453 1.149 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(C(C)C)CC1 74220303 ZVWCQSFWVXRFMY-LBPRGKRZSA-N 304.456 1.887 0 40 DDAB CCC(CC)[C@@H](O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 75137113 DIGSKZOIOITFPK-ZDUSSCGKSA-N 303.362 1.450 0 40 DDAB COc1ccc(CN(C)[C@H](C)C(=O)NC(=O)NC(C)C)cn1 89885267 IJNYUCLSHWAQHL-LLVKDONJSA-N 308.382 1.145 0 40 DDAB C[C@@H]1SCCN(C(=O)c2cnc3sccn3c2=O)[C@@H]1C 89920062 NPLVCMGTKPBWHV-BDAKNGLRSA-N 309.416 1.722 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 52440 LJKAKWDUZRJNPJ-UHFFFAOYSA-N 320.374 1.853 0 40 DDAB biogenic,in-vitro N[C@@H]1CN(C(=O)NCc2nccc3c2CCCC3)CC12CCC2 1551470728 SRBZORCVEIPNMB-MRXNPFEDSA-N 314.433 1.983 0 40 DDAB Cc1nnc(N2CCN(c3ncnc4onc(C)c34)CC2)s1 1516006327 MBLNVFVWEKRCGJ-UHFFFAOYSA-N 317.378 1.413 0 40 DDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nnc(C)o2)on1 519003280 HZZSADORLJZAAX-STQMWFEESA-N 323.372 1.719 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cnc(NC3CCCC3)cn2)C1 72364697 WOSUSIRTHPOALH-LBPRGKRZSA-N 324.450 1.970 0 40 DDAB COc1ccc2[nH]cc(CC(=O)N3CCNC(=O)C3(C)C)c2c1 78910997 NNUVZGGWTZTNNY-UHFFFAOYSA-N 315.373 1.456 0 40 DDAB CC(=O)N1CCN(C(C)=O)[C@@H](c2cccc(C(=O)N(C)C)c2)C1 72368122 MVMYDOGIKQYPRX-MRXNPFEDSA-N 317.389 1.140 0 40 DDAB CN1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32508604 LIALJBVTXUSRQB-NEPJUHHUSA-N 314.407 1.526 0 40 DDAB Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(CCO)C2)n1 72359957 PQFVCRXTXFOAJQ-CYBMUJFWSA-N 314.393 1.490 0 40 DDAB CC(C)(O)[C@H]1CCCN1C(=O)N[C@@H]1COc2ccccc2C1 185518085 QJORCYHIHYRCNP-DZGCQCFKSA-N 304.390 1.935 0 40 DDAB CCN1CCN(CCC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1 74232092 GZPYWWDYGRDCBE-WMLDXEAASA-N 311.470 1.334 0 40 DDAB CN(CC(=O)O)c1nc2c(S(C)(=O)=O)cccc2s1 70635283 VKEFLERFAUNWNL-UHFFFAOYSA-N 300.361 1.221 0 40 DDAB CN1CC(=O)N(C[C@@H](O)COc2ccc3ccccc3c2)C1=O 40465535 NISCRAMLQBXTEX-CQSZACIVSA-N 314.341 1.474 0 40 DDAB C[C@@H](Nc1ncnc2c1NC(=O)CN2)c1ccc2c(c1)OCO2 41121500 MVLBNCMAXWNTPV-MRVPVSSYSA-N 313.317 1.742 0 40 DDAB COCC1(CC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)CC1 569607561 ROBKBACICKKDNV-HNNXBMFYSA-N 307.394 1.311 0 40 DDAB CCn1nccc1CNC(=O)[C@]1(N)CCc2c(OC)cccc21 1578365149 HTWGQHLRXOCIAS-KRWDZBQOSA-N 314.389 1.328 0 40 DDAB COc1ccccc1OCC(=O)NCC[C@H](O)c1ccco1 77111032 UETUAGMEFSTGMK-LBPRGKRZSA-N 305.330 1.907 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=S)NC[C@H]1CCCO1 225156454 KEUXZPMAFCNFNM-SNVBAGLBSA-N 310.375 1.859 0 40 DDAB COCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 80660831 FCKQVWJOAVQAJE-OAHLLOKOSA-N 305.422 1.939 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)COCc1ccccc1 48333768 XUSKCTAVTKWOHY-HUUCEWRRSA-N 318.373 1.381 0 40 DDAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCNCC1 96529748 NQXOFNKGEKNQJI-UHFFFAOYSA-N 308.325 1.440 0 40 DDAB CCOC(=O)N1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1 146938005 FZMVLGLDGCOJJF-UHFFFAOYSA-N 309.322 1.882 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C1=O 96202843 HHJWYWLSJSJGPA-UHFFFAOYSA-N 317.389 1.101 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238442 WYVRAFYLPNDQLN-CRAIPNDOSA-N 314.385 1.821 0 40 DDAB CC(=O)N1CCn2c(COCc3ccccn3)cnc2[C@H]1C 96208982 YHSNBZAIXUZYEY-GFCCVEGCSA-N 300.362 1.918 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)C[C@]12CCN(c1ccsc1)C2=O 96089396 WBPTYAXPXOVREF-ZWNOBZJWSA-N 314.432 1.383 0 40 DDAB COc1ccc(C)cc1CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 331443153 XUQIVHHRFMYXBA-BPLDGKMQSA-N 316.401 1.672 0 40 DDAB COC(=O)c1ncn(Cc2ccn(-c3ccc(F)cc3)n2)n1 96424911 MHSPXUCWKDICSE-UHFFFAOYSA-N 301.281 1.438 0 40 DDAB O=C(N1CCCC1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96046892 WBMFPHNLMHTSKA-UHFFFAOYSA-N 305.422 1.927 0 40 DDAB CC[C@](Br)([C@H](O)c1cccc(N)c1)S(C)(=O)=O 96521512 KXXGPDMEMDSYRQ-GHMZBOCLSA-N 322.224 1.848 0 40 DDAB Cc1cc(NC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)no1 96411181 RIRSKPICIDOEFM-CYBMUJFWSA-N 312.333 1.700 0 40 DDAB C[C@H](c1cccnc1)N1CCN(Cc2nnnn2C2CC2)CC1 96424345 FNSFHGKNJJXJGC-CYBMUJFWSA-N 313.409 1.282 0 40 DDAB COCCCN1CCCC12CCN(C(=O)c1cc[nH]n1)CC2 96075275 BQMDITUEKTVAGV-UHFFFAOYSA-N 306.410 1.517 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@H]2C1 248139948 PUTLHEDNOMOLJZ-JKSUJKDBSA-N 308.447 1.684 0 40 DDAB CC(=O)N[C@@H]1CC2(CCN(C(C)=O)CC2)O[C@@H]2CCCC[C@@H]12 257242064 IAXNNNHQQHOQLK-ARFHVFGLSA-N 308.422 1.851 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@@H](Cc2ccccn2)C1 257207642 BIOUAKKOAPBNPA-AWEZNQCLSA-N 312.373 1.120 0 40 DDAB CC(=O)N1CCN(Cc2ccccc2F)C[C@@H](C(=O)N(C)C)C1 257329411 XJWVGXPBQDSCSH-OAHLLOKOSA-N 321.396 1.194 0 40 DDAB C[C@]1(COc2ccc(C(=O)O)cc2)Cc2c(N)nc(N)nc2O1 257303986 SJPHMSFYOQGXBN-OAHLLOKOSA-N 316.317 1.112 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(Br)cn2)C1 257198358 ZZYCNQLYGGFUJQ-MRVPVSSYSA-N 320.212 1.378 0 40 DDAB COC(C)(C)C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257285616 PHYWHAFOGGSDNS-RBSFLKMASA-N 307.390 1.889 0 40 DDAB COCC(=O)N1CCC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257336248 YNRBFGFFUHZTRE-AWEZNQCLSA-N 314.389 1.899 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 257265687 LZWCDABZQQOTHU-GOSISDBHSA-N 302.418 1.243 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)NCc2ccc(F)cc2F)C1 257231237 GFWXWKDGGHWXRJ-OAHLLOKOSA-N 312.316 1.218 0 40 DDAB Cc1ncoc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257312834 UPTJURJNVOISED-ZDUSSCGKSA-N 316.361 1.658 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)C2(C)CCN(C)CC2)n1 257315996 VDRBMAJEKGZARR-CQSZACIVSA-N 317.437 1.914 0 40 DDAB CCn1cc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 257233505 GPOOTFSTJXSRFS-BZUAXINKSA-N 315.373 1.604 0 40 DDAB CCOC(=O)[C@]1(N2CCNCC2)C=CC(Br)=CC1 95936330 ZPTMEROVFCMEII-ZDUSSCGKSA-N 315.211 1.432 0 40 DDAB CCc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 575424603 UFBXZIBUJNRMNI-VIFPVBQESA-N 302.421 1.867 0 40 DDAB CC(C)OC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cncs1 585109149 YFCZYYQUYREECW-RYUDHWBXSA-N 309.391 1.863 0 40 DDAB O=C(C1CC(F)C1)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 585107672 QASZIZAYQAPFIZ-SLTXQBBLSA-N 303.381 1.862 0 40 DDAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccccn1 46570049 TWUQECVJOFMVTM-UHFFFAOYSA-N 309.325 1.983 0 40 DDAB O=C([C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1)N1CCOCC1 48363300 AUCPFXZVBGMYQX-GJZGRUSLSA-N 306.406 1.440 0 40 DDAB COc1cccc(CN(C)C(=O)NCc2nnc3n2CCC3)c1 55077846 PUMAQARURDRXMB-UHFFFAOYSA-N 315.377 1.575 0 40 DDAB Cn1nccc1C1CCN(CC(=O)NCc2cccs2)CC1 58307273 AKTOKIQPFKCKID-UHFFFAOYSA-N 318.446 1.977 0 40 DDAB COc1ccc(CN2CCO[C@H](c3cc(N)nc(C)n3)C2)cc1 72387839 MIOZBTHXOMCVKO-INIZCTEOSA-N 314.389 1.949 0 40 DDAB CCc1nc(CN2CCC[C@H](NCc3cc(C)no3)C2)no1 69872088 JGYFRKTYWJWJGC-LBPRGKRZSA-N 305.382 1.683 0 40 DDAB C[C@H](C(=O)O)N(C)C[C@@H](O)c1ccccc1Br 819889077 KJAKVAGYEIKEOX-LDYMZIIASA-N 302.168 1.887 0 40 DDAB COc1cccc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)c1 12114784 UUERQJJSDOIMFV-UHFFFAOYSA-N 323.356 1.848 0 40 DDAB CCC[C@H]1CN(C(=O)Nc2cnn(C)c2)CCN1CCOC 157115820 DUECUPKWKQZKCF-AWEZNQCLSA-N 309.414 1.385 0 40 DDAB CC(C)NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C 13006846 OJJVSBHRQMLTNE-UHFFFAOYSA-N 303.406 1.252 0 40 DDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 575607083 KYIZKGIAUALLQL-LLVKDONJSA-N 303.366 1.182 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1onc2c1CCCC2 585149593 ITIIKDNWYYNPSD-ZYHUDNBSSA-N 305.378 1.900 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6214757 APNNMKWDEJZLNB-LLVKDONJSA-N 318.373 1.725 0 40 DDAB Cc1cc(N2CCN(c3ccc4nc(C)cn4n3)CC2)ncn1 1888881892 HGBUESSLKHPLHR-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB COC(=O)c1sccc1NC(=S)NC1CCN(C)CC1 1888999967 WSLWHFCTLWDKDV-UHFFFAOYSA-N 313.448 1.915 0 40 DDAB COc1cc(OC)nc(N2CC[C@H](C(=O)NC(C)(C)C)C2)n1 1889077220 MQWKKVVVWAOWOY-JTQLQIEISA-N 308.382 1.235 0 40 DDAB COc1ccc([C@H](CNC(=O)C2CCC2)N2CCOCC2)cc1 22686223 XOPPVWBNZQGWBX-KRWDZBQOSA-N 318.417 1.985 0 40 DDAB Cc1nn(CC(=O)N2CCCC2)c(=O)c2c1cnn2C(C)(C)C 36665565 OLZYZYHJSBUOHT-UHFFFAOYSA-N 317.393 1.279 0 40 DDAB Oc1cc(N2CCN(Cc3ccccc3F)CC2)nc(O)n1 1565519492 QECKGWPVKNQGPI-UHFFFAOYSA-N 304.325 1.349 0 40 DDAB CO[C@H]1CCN(C(=O)c2csc(C)n2)[C@H]1Cc1cnn(C)c1 1565551090 ABFACMXFGZNEAL-KBPBESRZSA-N 320.418 1.657 0 40 DDAB CC(C)(C)NC(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9616306 SYESVLVADMWCOY-UHFFFAOYSA-N 310.308 1.538 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(c2nccc3occc23)CC1 338485464 VEUGAOZUZKFVPX-UHFFFAOYSA-N 321.402 1.832 0 40 DDAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 539974 XWYTZJYDSLCDCZ-LDDOYCOJSA-N 319.401 1.910 0 40 DDAB O=C1CN(C(=O)CSCc2ccc(Cl)s2)CCN1 40460943 ACDXSRWWRDYEEJ-UHFFFAOYSA-N 304.824 1.593 0 40 DDAB COc1ccc(Br)c(C(=O)N2CC[C@H](CN)C2)c1 50245758 OXGKYDHZKUMVCK-SECBINFHSA-N 313.195 1.879 0 40 DDAB COc1cc(Nc2ccc3nnnn3n2)c(OC)cc1Cl 40480424 BVYCMLCJFMAUQJ-UHFFFAOYSA-N 306.713 1.934 0 40 DDAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H](C)O1 40488182 VLWVBPPFXQCDIO-BETUJISGSA-N 300.362 1.576 0 40 DDAB COc1ccc(-n2nc3c(c2NC(C)=O)C[S@](=O)C3)cc1 212260 UXPSXUJFIYJWLS-OAQYLSRUSA-N 305.359 1.602 0 40 DDAB O=C(NCc1ccccn1)[C@@H](Cc1ccccc1)n1cnnn1 29517211 IMVAUVRPFDDILL-OAHLLOKOSA-N 308.345 1.168 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 488754 WGPUMASERPUING-ZXFNITATSA-N 313.353 1.845 0 40 DDAB biogenic Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNCCO)CCCC1 3648907 ATBXYYNZJKVOEA-AWEZNQCLSA-N 302.418 1.771 0 40 DDAB O=C(CN1CCN(c2ccccn2)CC1)NCc1cccs1 4388792 PYQFFGPAMRFKPT-UHFFFAOYSA-N 316.430 1.582 0 40 DDAB O=C1COc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2N1 60665785 TYXNWSRKEUJPIP-UHFFFAOYSA-N 322.324 1.824 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1ccc(O)cc1 52963976 PJCMEQWKSVAXOH-NSHDSACASA-N 302.330 1.762 0 40 DDAB COC(=O)c1cc(Br)c(=O)n(Cc2ccncc2)c1 529141 KDGHQGPBZNKUHV-UHFFFAOYSA-N 323.146 1.841 0 40 DDAB CCOC(=O)c1nc2[nH]c(-c3ccccc3Cl)cc(=O)n2n1 100069584 MYJSLGMMCJYEBL-UHFFFAOYSA-N 318.720 1.915 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 53203076 WJIFTUNSRVEDSS-VIFPVBQESA-N 306.790 1.852 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ccccc2n1 41819395 HQLQHQKJSNUQFX-CYBMUJFWSA-N 319.386 1.597 0 40 DDAB O=C(COc1ccccc1)NCCOc1ccc2c(c1)OCO2 22480617 MTBBUSPYXKZBDL-UHFFFAOYSA-N 315.325 1.989 0 40 DDAB O=C(O)C1=C(C(=O)Nc2cccc3cccnc23)[C@H]2C=C[C@H]1O2 104088974 LDPXIQVKHSNTEZ-VXGBXAGGSA-N 308.293 1.892 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)n[nH]1 76059577 UCACFYAYFYYKPV-JTQLQIEISA-N 316.365 1.149 0 40 DDAB CC[C@@H](NC(=O)COC)c1ccccc1OCC(=O)N(C)C 55598440 CDXPYGNOHXYQBM-CYBMUJFWSA-N 308.378 1.367 0 40 DDAB COc1ccccc1CN(C(=O)[C@@H]1CCC(=O)NC1)C1CC1 55678083 GLTBXLBCXZSMDP-GFCCVEGCSA-N 302.374 1.712 0 40 DDAB CC[C@H](C)CN(C)C(=O)NCC(=O)N(C)CCc1ccccn1 78645421 RMEILSXYAFXWOO-AWEZNQCLSA-N 320.437 1.770 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1=O 107144066 YTKKBUNJRHSDGA-OWCLPIDISA-N 316.401 1.579 0 40 DDAB CCN(CC)[C@@H](CNC(=O)CN1CCC[C@H]1CO)c1ccco1 107350976 JRSVKBWTWALCJO-GJZGRUSLSA-N 323.437 1.235 0 40 DDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccc(F)cc3)cc21 26091907 NHHVIEKOTULKGO-UHFFFAOYSA-N 314.316 1.963 0 40 DDAB CCN(CC)CCN[C@H]1OC(=O)c2c1ccc(OC)c2OC 20227223 KUFCRLQGMDIKNO-HNNXBMFYSA-N 308.378 1.804 0 40 DDAB CC(=O)N[C@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 108182415 XXBXALVCPVSZRE-JKSUJKDBSA-N 303.406 1.416 0 40 DDAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(-n2cnnn2)cc1 57558209 GWNPOOQWYPZYLZ-UHFFFAOYSA-N 320.312 1.158 0 40 DDAB Cc1csc2nc(CSCC(=O)NC3CC3)cc(=O)n12 57687424 YGINWMXNEUXTSY-UHFFFAOYSA-N 309.416 1.576 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1C1CCN(C2CC2)CC1 44645210 ZCHQWJWVSIWDCD-UHFFFAOYSA-N 306.387 1.458 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 10026713 HGAAVRQKPGREOW-HNNXBMFYSA-N 321.764 1.999 0 40 DDAB Cc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 3388109 SAMXRMJAYPQAPL-UHFFFAOYSA-N 318.354 1.951 0 40 DDAB O[C@@H](COCc1ccco1)CN1CCN(c2nccs2)CC1 44896481 BPXAYMLIDXCLJA-CYBMUJFWSA-N 323.418 1.436 0 40 DDAB O=C(NC1CCN(CC2CCCCC2)CC1)c1ccc(O)nn1 58266906 RADGTCHUQUOZHS-UHFFFAOYSA-N 318.421 1.957 0 40 DDAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccn(CC(N)=O)n1 58224657 SQUHBIQEPTYFPD-SECBINFHSA-N 322.752 1.428 0 40 DDAB Cc1c(Br)c(C(=O)N2C[C@H](C)O[C@H](C)C2)nn1C 18032805 BLFMTPCYGVTRGM-OCAPTIKFSA-N 316.199 1.740 0 40 DDAB CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1ccccc1 3522782 AXLZZTHQGITFMS-VIFPVBQESA-N 319.390 1.641 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)c2n1 69849421 RODPLVRCMBBRMI-CABCVRRESA-N 313.405 1.737 0 40 DDAB Nc1nccnc1C(=O)NCc1cc(Br)cs1 48607201 QPYRNDAMXLQRHC-UHFFFAOYSA-N 313.180 1.813 0 40 DDAB O=S1(=O)N=C(N[C@H](CO)c2ccccc2)c2ccccc21 63001506 LQJOOIWLIDIERH-CYBMUJFWSA-N 302.355 1.459 0 40 DDAB CCCN(C)c1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 69161004 ABHUAKNVLJMVPC-CYBMUJFWSA-N 324.446 1.697 0 40 DDAB COc1ccccc1CNC(=O)C[S@](=O)Cc1cc(C)on1 64811672 OINOCNOLKKKKGB-QFIPXVFZSA-N 322.386 1.557 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2ccc3[nH]cnc3c2)CC1 13735183 QXXVCOVWMGIPSS-UHFFFAOYSA-N 316.361 1.914 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COc1ccc(-c2nnco2)cc1 6177516 YPEYWXOLDFHVFD-UHFFFAOYSA-N 318.333 1.740 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385122 LOGOKVFPALKRHT-RISCZKNCSA-N 322.792 1.988 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@@H](n2ccnc2)C1 69925582 XVGURTTZJTUUNS-CQSZACIVSA-N 314.393 1.729 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69587791 SFJCVMLXNHDFIB-WCQYABFASA-N 312.373 1.503 0 40 DDAB Cn1nnnc1SC[C@H](O)COCc1ccc(Cl)cc1 66237403 ZDISHWLWGDJGPC-LLVKDONJSA-N 314.798 1.533 0 40 DDAB COc1ccccc1C1=NO[C@H](C(=O)NCc2cccnc2)C1 6738316 GZVAFDXAAOCUDL-INIZCTEOSA-N 311.341 1.900 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 14934859 YDKBNLNDMVXRME-UHFFFAOYSA-N 315.329 1.398 0 40 DDAB CCn1nnc2cc(C(=O)OCC(=O)N3CCCCC3)ccc21 5805417 WUTLRVJBQKKYIX-UHFFFAOYSA-N 316.361 1.621 0 40 DDAB CNC(=O)NCC(=O)NCC1(Cc2ccccc2)CCCC1 97048628 ZIIWLFNXIQHEDK-UHFFFAOYSA-N 303.406 1.835 0 40 DDAB COc1ccc(CCn2c(=S)[nH]cc(C(=O)O)c2=O)cc1 20156261 ZDTXIDHZYQDBNU-UHFFFAOYSA-N 306.343 1.855 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC)c1 9227774 YMVKRTBKEAUYQA-UHFFFAOYSA-N 314.407 1.060 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCCOc1ccc(F)cc1F 72270005 UQKJMHNDEKTLQG-NSHDSACASA-N 324.331 1.928 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1 72269601 IIFUZKDLDYRSCR-STQMWFEESA-N 309.435 1.431 0 40 DDAB Cc1csc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 84268494 ONJNHPNDXPXYQS-UHFFFAOYSA-N 317.418 1.626 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)o1 71886593 KCOXHBDINBPLLS-JTQLQIEISA-N 323.326 1.478 0 40 DDAB CCN1C[C@H](C(=O)NCc2nc3ccccc3n2C)CC1=O 71880355 WVTPGFLBVQZKFL-LLVKDONJSA-N 300.362 1.058 0 40 DDAB C[C@@H](OC(=O)[C@@H](C)N1CCOCC1)C(=O)Nc1cccc(F)c1 71921296 MEBDSHAPINJCNZ-VXGBXAGGSA-N 324.352 1.417 0 40 DDAB Cc1csc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)n1 97199886 SWLWYPZYCRZRCE-SNVBAGLBSA-N 324.431 1.920 0 40 DDAB Cc1ncoc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 72310043 GMHUCEVABSNDRE-OAHLLOKOSA-N 315.373 1.786 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(C)nc1 95949516 USGFMPKMAMTZFH-SFHVURJKSA-N 323.396 1.980 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(c2ccccn2)CC1 74729463 QDXPGHUZBPHJRN-MRXNPFEDSA-N 309.369 1.734 0 40 DDAB CCn1nc(C(=O)N2CCN(C)C[C@@H]2C)c2ccccc2c1=O 89300032 ONUSKBXJEIMXHN-LBPRGKRZSA-N 314.389 1.193 0 40 DDAB COC(=O)CNC(=O)c1ccc(COc2cccc(OC)c2)o1 32610780 KNRDTCJYRAGQMM-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB COc1cc(CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)ccc1C 517584471 UZFNYGCKDVHKNR-CYBMUJFWSA-N 301.394 1.882 0 40 DDAB CNc1ccc(C[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nn1 72387324 NKDIBOYUURXHJE-LLVKDONJSA-N 300.366 1.336 0 40 DDAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1ccccn1 524735501 GIKCQXXRVUFMMI-LLVKDONJSA-N 300.347 1.748 0 40 DDAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)OC)cc2)C1=O 409245320 QVMBXYRBZAUCHE-XYOKQWHBSA-N 304.302 1.151 0 40 DDAB C[C@]1(C(=O)O)CCCN1CC(=O)NCc1ccc(Cl)cc1 79488024 AKVSNAWWVVMXGV-OAHLLOKOSA-N 310.781 1.895 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1(CN)COC 218537759 CDXPMXLRYGCAKL-BFHYXJOUSA-N 301.383 1.318 0 40 DDAB Cn1cnnc1CCNC(=O)c1cc(Cl)c(Cl)n1C 79001149 JWEUDMLLIYHTTP-UHFFFAOYSA-N 302.165 1.433 0 40 DDAB Cn1nccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 78602992 QBDVCTCIMIQVIO-CYBMUJFWSA-N 322.434 1.128 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O 79098783 PTBDSFPSUBHLRG-KBPBESRZSA-N 307.394 1.774 0 40 DDAB NC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218629487 QRJAPCLRNUHVBA-OWCLPIDISA-N 320.389 1.422 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2F)o1 31525630 UPRUMJLDJCVPGI-UHFFFAOYSA-N 312.322 1.888 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCCC1 74690070 DDAJCDSFWZQHGK-CJNGLKHVSA-N 304.390 1.891 0 40 DDAB C[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2ccccc2)C1 72388751 UKIATODXYCGTOW-KRWDZBQOSA-N 312.373 1.703 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2C2CCOCC2)n1 72355769 UPAYYXVMHUIOOI-MRXNPFEDSA-N 304.394 1.429 0 40 DDAB CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CC1=O 75893522 FITGLAPMWHHAFX-SMDDNHRTSA-N 312.373 1.705 0 40 DDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1sccc1F)C2 565088513 JAXUTMIZIJZZIO-JTQLQIEISA-N 323.393 1.672 0 40 DDAB CCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 180504615 QYNKUZWIQITKCV-LLVKDONJSA-N 315.295 1.908 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccs2)C[C@@H](C)O1 226179358 XLGPSPJVQUAMHT-MBNYWOFBSA-N 322.430 1.875 0 40 DDAB O=C(CCc1ccccc1F)N1CC[C@@H](N2C(=O)COC2=O)C1 225701143 PQUJCOPSUPBUNO-GFCCVEGCSA-N 320.320 1.338 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)CC1CC1)c1ccc(Cl)cc1 567815957 LPNDONTWOUPAJM-LLVKDONJSA-N 303.767 1.795 0 40 DDAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@H]1C[C@@H]1c1cccnc1 195570109 CFKUPICETBESGQ-KGLIPLIRSA-N 324.446 1.857 0 40 DDAB CC(C)N(CCS(C)(=O)=O)C(=O)NCc1cccs1 96489189 WVIOAKDZIAWCHT-UHFFFAOYSA-N 304.437 1.713 0 40 DDAB Cc1noc(C)c1CN1CCOCC12CCN(C[C@H](C)O)CC2 96074670 SGYKLHSLZZJWPX-ZDUSSCGKSA-N 323.437 1.339 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC(C)(C)O1 332643880 GTBHMAFTXOAKJH-STQMWFEESA-N 322.409 1.102 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(c2ncc(F)cn2)C3)n1 96038731 PKADYNNZJYRFNM-BXUZGUMPSA-N 305.313 1.244 0 40 DDAB CCN1CC2(CCN(Cc3ccoc3)CC2)[C@@H](COC)C1=O 96206424 UCNOXGBTHQCFGU-HNNXBMFYSA-N 306.406 1.987 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4cccn4C)CC[C@H]3O2)n1 96043639 MGLBQZXDDLEGOF-IACUBPJLSA-N 316.361 1.709 0 40 DDAB COC(=O)c1nn(-c2ccc(Cl)cc2)c(C(=O)OC)c1N 95116770 JSFYUROKQXGDDT-UHFFFAOYSA-N 309.709 1.681 0 40 DDAB CC(=O)N1C[C@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 96038961 VHZKDWGYYCVANB-BPLDGKMQSA-N 322.430 1.433 0 40 DDAB Cn1cccc1C(=O)N1CCc2onc(Cn3cccn3)c2C1 96259784 DOJVZDRGXVPFBR-UHFFFAOYSA-N 311.345 1.456 0 40 DDAB O=C(NCCCn1ccnn1)Nc1cnc(-c2ccccc2)nc1 97371824 QQFAFZAVOWLEIA-UHFFFAOYSA-N 323.360 1.947 0 40 DDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1Cc1ccsc1 96198725 ZJEDJCDKSTXDGA-UONOGXRCSA-N 310.419 1.498 0 40 DDAB CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCc4ccnc(C)c4)[C@@H]1[C@H]3C2 334078105 KNFOYYFFUASAEM-ZVDSWSACSA-N 301.390 1.955 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3c(C)noc3C)C2)C1 96062305 VQBNOEZESWHJHL-QGZVFWFLSA-N 323.437 1.462 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(Cc1ccc3c(c1)OCO3)C2 248093892 CSALAQSYBVTRDT-HNNXBMFYSA-N 318.417 1.958 0 40 DDAB Cc1cc(C[C@H]2COCCN(C(=O)C3CCOCC3)C2)ncn1 257329877 XLWGHQJTLQPMLB-CQSZACIVSA-N 319.405 1.229 0 40 DDAB CCCc1cc(C(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)no1 257222514 DTOIBUYLURHGCV-CYBMUJFWSA-N 304.350 1.872 0 40 DDAB CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O 257233407 GPDJSSRSXSEKTI-BZUAXINKSA-N 300.358 1.638 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2CC2CCOCC2)c1 257248184 JCNROHYUCIKNGW-KRWDZBQOSA-N 317.433 1.419 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccccc1F 257224729 FDBKSHPBYTZGPJ-MRXNPFEDSA-N 300.337 1.592 0 40 DDAB CN(C)c1cc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)ccn1 257269164 MOVQCFTXDWYZOI-AWEZNQCLSA-N 313.405 1.901 0 40 DDAB COc1cc(C)c(NC(=O)N2CCC[C@H](C(N)=O)C2)cc1F 252488710 IXJHOEOQCOVIDX-JTQLQIEISA-N 309.341 1.872 0 40 DDAB Cn1cnc(CNC(=O)c2ncccc2-c2cccc(CN)c2)c1 257231468 GGULYTRYNVQVNZ-UHFFFAOYSA-N 321.384 1.871 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@H]12 585109050 QEKGUVQETHFHBE-RBSFLKMASA-N 302.374 1.441 0 40 DDAB CCOC(=O)[C@@H](F)[C@@H]1CCN(c2cc(C)nc(COC)n2)C1 585142285 RZHOCGUDZZYBNG-RISCZKNCSA-N 311.357 1.659 0 40 DDAB O=C(c1cc[nH]n1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 585272765 QTFQAIXOBYVYRY-MRXNPFEDSA-N 319.336 1.595 0 40 DDAB O=C(CCn1ccccc1=O)N1CCOc2c(F)ccc(F)c21 585140937 LUGFVJGAHHWBNC-UHFFFAOYSA-N 320.295 1.942 0 40 DDAB C[C@H](NC(=S)NC[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 44219958 YKAUDFQQWMOCDS-GWCFXTLKSA-N 319.430 1.885 0 40 DDAB COc1cc(C)nc(N2CCC[C@H]2CN(C(C)=O)C2CC2)n1 683354080 YKQAPCVTMYXQDK-AWEZNQCLSA-N 304.394 1.773 0 40 DDAB CCCS(=O)(=O)NCCC(=O)N1CCc2sccc2C1 52116813 MCDDGMBBBGIRFB-UHFFFAOYSA-N 316.448 1.352 0 40 DDAB COc1ccnc(N2CCN(Cc3ccccc3F)CC2)n1 71807912 LSTFKCVWLGJLRM-UHFFFAOYSA-N 302.353 1.947 0 40 DDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)S(C)(=O)=O 76068229 CXDVONBTGIMKNN-RISCZKNCSA-N 315.410 1.942 0 40 DDAB Cc1nnc2ccc(N(C)Cc3ccc4c(c3)OCCO4)nn12 77292092 DLEMAZCPBUQZBL-UHFFFAOYSA-N 311.345 1.840 0 40 DDAB COc1ccc(CC(=O)N2CCOC[C@H]2CN(C)C)cc1OC 85470003 UJHZZHKJKBEKEA-CQSZACIVSA-N 322.405 1.035 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)NCCCc2ccccc2)CC1 85466930 LXZALESZRMIYFS-OAHLLOKOSA-N 305.422 1.327 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1 40699280 QIRFGGJBUSWCPL-GFCCVEGCSA-N 315.391 1.098 0 40 DDAB CN1CCN(C(=O)Nc2c[nH]c3cc(Cl)ccc3c2=O)CC1 13565952 GDCFCOCGTXQDGH-UHFFFAOYSA-N 320.780 1.961 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cnn(C)c2C)cc1OC 14248838 CLFXWYSYDKWHQC-UHFFFAOYSA-N 311.363 1.547 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 225426113 GXRKGHVCVNNQLM-CYBMUJFWSA-N 316.361 1.612 0 40 DDAB O=C(NCCn1cccn1)N1CC2(CCC2)[C@@H]1C1CCOCC1 574913089 MOXBBAIQDCDEPV-HNNXBMFYSA-N 318.421 1.874 0 40 DDAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccoc1 370687730 BSVWKPQWWBQFMK-SECBINFHSA-N 314.267 1.926 0 40 DDAB C[C@@H](OC(=O)c1ccc2ccccc2c1O)C(=O)NC(N)=O 5039356 IKLPPCCSZVPFRB-MRVPVSSYSA-N 302.286 1.286 0 40 DDAB O=C([C@@H]1CN(c2nccc3occc23)CCO1)N1CCCC1 1889114097 DKIBOYYVPJHBKL-AWEZNQCLSA-N 301.346 1.655 0 40 DDAB CCc1cnc(OC2CCN(c3nccn(C)c3=O)CC2)nc1 1776001893 QIYMIPPEGHDNRX-UHFFFAOYSA-N 315.377 1.181 0 40 DDAB Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccccc1 129295 ORFCLGWDVGBJQL-UHFFFAOYSA-N 321.384 1.881 0 40 DDAB CC(C)(C)CC(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570821 HWFMSKLUKILYKG-UHFFFAOYSA-N 309.320 1.993 0 40 DDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C)CC1 12443992 BINOCHPBGAULCP-UHFFFAOYSA-N 318.352 1.408 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](n2ccnn2)C1 206926650 NGCCMTJHDIYSRE-CXLRFSCWSA-N 312.329 1.494 0 40 DDAB c1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 108222881 IILFKRPBRVPXCP-HOTGVXAUSA-N 311.389 1.209 0 40 DDAB COc1cccc(CCNC(=O)[C@H](C)n2nc(C)ccc2=O)c1 44395206 XAWFWEOZNUJVST-ZDUSSCGKSA-N 315.373 1.480 0 40 DDAB Cc1ccc(=O)n(CC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 585501487 GNYFBEAAFKATQU-CVEARBPZSA-N 305.422 1.567 0 40 DDAB CC(C)(C)C(=O)N1CC[C@H](c2nn(CCN)c3nccnc23)C1 19081028 YYFOBRLYWDSANA-NSHDSACASA-N 316.409 1.147 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCCc2c(F)cc(F)cc21 40090407 NKHVOCVCJZIHNV-UHFFFAOYSA-N 322.311 1.783 0 40 DDAB O=C(NCc1cccnc1OCC(F)(F)F)N1CCOCC1 40505506 LCFXMBHNJAWNQS-UHFFFAOYSA-N 319.283 1.565 0 40 DDAB CN(CC(=O)N(C)C)C[C@@H](O)c1cccc(C(F)(F)F)c1 51588522 XQYFHCSPWHQDJX-GFCCVEGCSA-N 304.312 1.759 0 40 DDAB O=C1NC(=O)C(Nc2ccc(Br)cc2)=C1Cl 113790 UNXXVHVSSYUULS-UHFFFAOYSA-N 301.527 1.968 0 40 DDAB COc1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c2ccccc12 92008265 ZTXUIGMNGKUMLR-SJKOYZFVSA-N 314.385 1.923 0 40 DDAB CC(C)(C)c1noc(CCC(=O)NCCCN2CCCC2=O)n1 32645494 GEFUIOBJEZNUPM-UHFFFAOYSA-N 322.409 1.428 0 40 DDAB CCOc1cccc2c1OCC(C(=O)N1CC[C@@H](C(N)=O)C1)=C2 41129242 KFVFRDWSPDVQLR-GFCCVEGCSA-N 316.357 1.195 0 40 DDAB Cc1ccc(-c2noc(CCCC(=O)NCC(=O)O)n2)cc1 41155376 GKYLVOMZIYEIRG-UHFFFAOYSA-N 303.318 1.569 0 40 DDAB COc1ccc(CNCCNC(=O)c2ccncc2)c(OC)c1 4498100 LOWKKICNQBLJMZ-UHFFFAOYSA-N 315.373 1.618 0 40 DDAB CCOC(=O)[C@@H](C)n1c(-c2nonc2N)nc2ccccc21 6564647 JAPIMSZHJRVOIT-MRVPVSSYSA-N 301.306 1.793 0 40 DDAB O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1cccc(O)c1 6889848 YMPXVEVLNBHLOP-HNNXBMFYSA-N 314.341 1.964 0 40 DDAB CCNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 6954053 CEDKNMVPZWHMDH-UHFFFAOYSA-N 311.190 1.408 0 40 DDAB CN(Cc1ccco1)C(=O)Cn1cnc2cc(F)ccc2c1=O 21741543 BHXKLLRPGGVZRZ-UHFFFAOYSA-N 315.304 1.787 0 40 DDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc2ccccc2c(=O)[nH]1 46994017 OFGZGTXNZUSYEN-GOEBONIOSA-N 311.385 1.885 0 40 DDAB Cn1ncc(N[C@@H]2CCCC[C@@H]2CO)c(Br)c1=O 76065108 PALYHOJUSFVVIG-RKDXNWHRSA-N 316.199 1.506 0 40 DDAB CCOC(=O)[C@@]1(Br)C(=O)Nc2ccccc2C1=O 500445 KZAHGSCWVYAKAK-LBPRGKRZSA-N 312.119 1.518 0 40 DDAB NC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 53231302 QFMPHJWCHOYBQZ-AWEZNQCLSA-N 323.368 1.392 0 40 DDAB COCCN1[C@H]2CC[C@H]1CN(C(=O)Cc1cccc(F)c1)C2 105534683 LQNJWGNECWGAOC-HOTGVXAUSA-N 306.381 1.690 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)on1 76052597 YTESQHSSUQFDGD-OCCSQVGLSA-N 307.394 1.591 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n(C)n1 41829544 XFKIRJHUPZIDOO-LLVKDONJSA-N 302.334 1.309 0 40 DDAB CC(C)[C@H](C(=O)/N=c1\[nH]cn[nH]1)n1cnc2cc(F)c(F)cc21 61621152 IMPKPWXHOLJTKA-GFCCVEGCSA-N 320.303 1.690 0 40 DDAB CC(C)NC(=O)CN(C)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C 53834831 SUHBHBTVUJQHCD-ABAIWWIYSA-N 306.362 1.198 0 40 DDAB COC[C@@H](C)NC(=O)Nc1ccn(CCc2ccncc2)n1 76021656 OAMFOWCOFVCYQL-GFCCVEGCSA-N 303.366 1.677 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cc(-c2cccnc2)on1 54002759 ZHFZWLYVSCKPBE-NSHDSACASA-N 300.318 1.135 0 40 DDAB C[C@H]1Oc2ccc(NC(=O)NCc3cnn(C)c3)cc2NC1=O 54386290 CKCNOUDDLCPDLY-SECBINFHSA-N 315.333 1.461 0 40 DDAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCCC1 57219951 QTDKUVWVVCNRMK-GFCCVEGCSA-N 318.373 1.589 0 40 DDAB CC[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCO1 23893699 VHAOZSADRGPEEB-LLVKDONJSA-N 301.346 1.185 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CC[C@H]2CCCC[C@H]2C1 55077527 JMZJFNZJLQQISL-OLZOCXBDSA-N 303.410 1.946 0 40 DDAB C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cnn(C)c1 81498556 WBYJYKCUAKQMLK-GZMMTYOYSA-N 306.288 1.190 0 40 DDAB COc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1 1389291 WGZDSFYVSJQPMK-UHFFFAOYSA-N 311.345 1.637 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)Cn2ccnc2)c1C 47931636 KEDZNQCQJPGPNK-JTQLQIEISA-N 318.377 1.823 0 40 DDAB Cn1cc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cn1 25310002 YSTKNVPPXAENLT-UHFFFAOYSA-N 318.402 1.973 0 40 DDAB C[C@@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1 25639326 FGQSCEVOCRPGCC-LBPRGKRZSA-N 311.389 1.235 0 40 DDAB CCC(=O)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 44915873 PRDKSCYNKZYTKO-UHFFFAOYSA-N 317.389 1.064 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CCn1c(=O)n(C)c2ccccc21 44909620 AJBOWSRHQSTILO-QWHCGFSZSA-N 317.389 1.366 0 40 DDAB O[C@@H](CNC[C@@H]1CNc2ccnn2C1)COc1cccc(F)c1 58309863 UGKKMBSRVPEZFN-OCCSQVGLSA-N 320.368 1.093 0 40 DDAB NC(=O)COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 28256254 BPBUOXINUXZVIX-UHFFFAOYSA-N 324.333 1.491 0 40 DDAB CCc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NC)n1 48299490 KYEJNOIRFYQZLY-ZDUSSCGKSA-N 300.362 1.305 0 40 DDAB Cc1nc(C(=O)N2C[C@@H](C)OC[C@@H]2C)nn1-c1ccc(F)cc1 45448612 CJJDJALPESMFDR-WDEREUQCSA-N 318.352 1.964 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 12756435 LPFIOZHYZHNDQT-NSHDSACASA-N 305.334 1.354 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12772930 VOMGFTWDOAYAFW-CJNGLKHVSA-N 315.417 1.862 0 40 DDAB COCCOCC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 48301599 MPMUCZAUVZJALW-BETUJISGSA-N 323.393 1.297 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)C(=O)N(C)C 48333643 HALZUUWGXJOGPS-LSDHHAIUSA-N 318.417 1.857 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)c(C)s1 48438513 HBMATCHKGODIOZ-SNVBAGLBSA-N 302.421 1.251 0 40 DDAB CCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4045355 FBZKDTTWVGSKCQ-WFASDCNBSA-N 302.330 1.373 0 40 DDAB biogenic CCOc1ccnc(N2CCN(Cc3nccn3CC)CC2)n1 69808234 CWJLRWZDPUIUJF-UHFFFAOYSA-N 316.409 1.414 0 40 DDAB CCc1nnc2n1C[C@@H](CNCc1cccc3c1OCO3)CC2 69590028 GLBHMFJYSUQEJR-GFCCVEGCSA-N 314.389 1.921 0 40 DDAB C[C@H](C(N)=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 65474848 MYZAOYGHNFHAMW-LLVKDONJSA-N 304.369 1.954 0 40 DDAB COCCCS(=O)(=O)NCc1ccccc1OC(F)F 65493714 HHSSNPNIDCAZDF-UHFFFAOYSA-N 309.334 1.744 0 40 DDAB CCn1cc(CN2CCCN(C(=O)c3ccco3)CC2)cn1 69569704 PJFPGBLGYVJPOT-UHFFFAOYSA-N 302.378 1.844 0 40 DDAB Cc1noc([C@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1 69529001 VLNZURLGOARRTK-AAEUAGOBSA-N 306.366 1.383 0 40 DDAB CC[C@@H]1CN(C(=O)Cc2cnn(-c3ccccc3)n2)CCO1 65517225 IAEHUWGAPVTVIF-OAHLLOKOSA-N 300.362 1.447 0 40 DDAB CCCN1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O 14159082 WUGUXBJXBOGILB-UHFFFAOYSA-N 307.375 1.265 0 40 DDAB CCc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(CC)n2)cc1 4512036 NNAGWIHNILKAMM-UHFFFAOYSA-N 311.345 1.086 0 40 DDAB Cc1noc(CCCC(=O)N2CCCC[C@@H]2Cn2cccn2)n1 69667490 WECSHAGVTBVPCN-CQSZACIVSA-N 317.393 1.979 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)CCOCC(F)(F)F)CC1 69778480 MHZOWABOHLJETB-GFCCVEGCSA-N 312.376 1.590 0 40 DDAB COC(=O)c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1O 66635888 ZQSHCPWJLIRWDY-UHFFFAOYSA-N 324.333 1.642 0 40 DDAB COc1ccccc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 67008235 AVEJFSCXLWKLJY-SNVBAGLBSA-N 315.416 1.091 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1COCCO1 110619534 YKAJNUSRCQLFRP-IUODEOHRSA-N 324.808 1.840 0 40 DDAB CC(C)N(C)C(=O)Cn1cc(I)cn1 70679609 GXXYTOKCLJWSNE-UHFFFAOYSA-N 307.135 1.355 0 40 DDAB NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 8726175 NXAJHGUHJDQRKE-UHFFFAOYSA-N 312.354 1.358 0 40 DDAB O[C@H](CNCc1cccnc1)COc1ccc2c(c1)OCO2 67975972 KACQBSUKZXKXPT-CYBMUJFWSA-N 302.330 1.340 0 40 DDAB CCc1c(C(=O)N2C[C@H](CO)OC[C@H]2C)cnn1CC(C)C 92382126 JWMBBAAFVSBHIM-CHWSQXEVSA-N 309.410 1.323 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1C 77990776 SCIDDXCLTVLCFO-ZDUSSCGKSA-N 318.295 1.973 0 40 DDAB Cc1ccc(C[C@@H]2CCCN([C@@H]3CS(=O)(=O)C[C@@H]3O)C2)cc1 84148786 QYACKVAPDHTNJI-BBWFWOEESA-N 323.458 1.407 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)CSc1nnnn1C)[C@H](C)C2 97079968 JLJKGNHRUYIKCC-QMTHXVAHSA-N 317.418 1.660 0 40 DDAB COc1ccsc1S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O 96012560 CERHMIYQSORXLI-RBHXEPJQSA-N 311.450 1.144 0 40 DDAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCNCC1 19668833 OQPYSNZXULFJOJ-LLVKDONJSA-N 305.205 1.638 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 72235699 PWLJWWFTVWCUBZ-HNNXBMFYSA-N 314.389 1.676 0 40 DDAB C[C@@H](CNC(=O)NC[C@H]1CCCO1)N(C)Cc1ccccc1 72277996 LLRVJVNCTDDERH-GOEBONIOSA-N 305.422 1.985 0 40 DDAB CCN(C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1 1553445995 YXLHTJXWYDXXRG-WMZOPIPTSA-N 316.449 1.771 0 40 DDAB Cc1nn(CCO)c(C)c1CNCCc1cn2c(n1)CCCC2 97159853 UITROVKOBQFKLN-UHFFFAOYSA-N 317.437 1.357 0 40 DDAB CN(CCO)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 78800898 KGHAHBQSNWNCSP-UHFFFAOYSA-N 313.785 1.633 0 40 DDAB Cn1ccnc1CNC(=O)N[C@H]1CCN(c2ncccc2F)C1 96461542 LUKFVQQTZZUMEH-NSHDSACASA-N 318.356 1.032 0 40 DDAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1 110683656 XCPOMRNHGQRCLI-GXTWGEPZSA-N 313.423 1.655 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)c1 71855401 LDFZNAHNNIGLQR-UHFFFAOYSA-N 322.430 1.735 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2C)s1 71843276 VGELMRATIUJCMX-UHFFFAOYSA-N 324.427 1.895 0 40 DDAB CC(C)(C)[C@@H](NCC(=O)N1CCNC(=O)C1)c1cccs1 71822586 FWEWLYXAMZKELY-AWEZNQCLSA-N 309.435 1.383 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)n1 71828034 KBNLTWUGTQHFAC-OAHLLOKOSA-N 313.405 1.805 0 40 DDAB C[C@H]1CN(C(=O)CNc2ccn(-c3ccccc3)n2)CCO1 71819415 GHBHEQYCSPWGAY-ZDUSSCGKSA-N 300.362 1.532 0 40 DDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN2CCCC[C@H]2C1 71839809 WSOBNXZUCMQPPU-HNNXBMFYSA-N 311.389 1.578 0 40 DDAB Cc1ccccc1CC(=O)NCc1cccc(OCC(N)=O)c1 72302979 JKDAWNXVZVZGNM-UHFFFAOYSA-N 312.369 1.718 0 40 DDAB CCC(C)(C)NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC)c1C 9722018 SECHINRPMOCJSU-UHFFFAOYSA-N 324.377 1.880 0 40 DDAB CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cncc(F)c1 72300145 WNSHHZIFWCTUCE-CHWSQXEVSA-N 313.398 1.468 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1cn3ccsc3n1)CC2 72302248 IPELXVBGYTUCHP-UHFFFAOYSA-N 315.402 1.531 0 40 DDAB C[C@](O)(Cc1ccccc1)C(=O)NCCCCN1CCOCC1 78903115 NUAFTGCEJKCELV-SFHVURJKSA-N 320.433 1.209 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 72679301 XZKHXICMNHRYGQ-GJZGRUSLSA-N 318.373 1.334 0 40 DDAB CNC(=O)Cc1nc(CNc2cccc(C(=O)OC)c2)cs1 79068356 JVKROWLNRYUNLY-UHFFFAOYSA-N 319.386 1.830 0 40 DDAB CCN1CCN(C[C@@H](C)CNC(=O)NCc2cccnc2)CC1 97595832 YTWQIWKDCBVGHN-HNNXBMFYSA-N 319.453 1.154 0 40 DDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC1(CO)COC1 84881333 GFSGDBFMRFHLFJ-ZDUSSCGKSA-N 302.378 1.269 0 40 DDAB Cc1c(C(=O)N2CCN(C)C(=O)C2(C)C)sc2nccn12 95981810 WWRLNJPBCPNHBQ-UHFFFAOYSA-N 306.391 1.397 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCN(C4CC4)C(=O)C3)nc2)n1 85689305 UGCJQMLLLFCUMS-UHFFFAOYSA-N 311.389 1.695 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)N(C)CC1CCN(C)CC1 89505810 SJDALEQGMMQYMI-UHFFFAOYSA-N 321.469 1.563 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CC(O)=NC1=O 64219709 SNZJUSWCTUVMKZ-DTWKUNHWSA-N 312.322 1.185 0 40 DDAB CC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547200919 BHRGETDIJSMYFN-UHFFFAOYSA-N 306.709 1.276 0 40 DDAB Cc1oc(C(=O)NCc2ccc(C)n2C)cc1S(C)(=O)=O 1548453483 BTQMBPURUZJFOQ-UHFFFAOYSA-N 310.375 1.568 0 40 DDAB CN(C)C(=O)NC[C@H]1CN(Cc2cccnc2)Cc2cncn21 306139762 TZWWPZSDLVMJQP-HNNXBMFYSA-N 314.393 1.106 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCc2ccccc2C1 35898069 XEZFFERJUYWIDH-BARDWOONSA-N 301.342 1.450 0 40 DDAB CCC[C@@H]1C[C@H](C(=O)NS(=O)(=O)CC(F)(F)F)CCO1 408391833 FITYVKBRKONINM-RKDXNWHRSA-N 317.329 1.590 0 40 DDAB CCCCn1nc(C(=O)OCC(=O)N[C@@H](C)CC)ccc1=O 39572026 ZZEOXGDOJGZGGQ-NSHDSACASA-N 309.366 1.115 0 40 DDAB CS(=O)(=O)N1CCC(Cc2ccc(-n3ccnc3)nc2)CC1 72360678 VYFPAYCIVHTYGO-UHFFFAOYSA-N 320.418 1.481 0 40 DDAB CCOCCCNC(=O)[C@H]1CCC(=O)N1Cc1cccs1 72239732 VTBIXWGQHQHYKI-CYBMUJFWSA-N 310.419 1.782 0 40 DDAB COC(=O)c1ccc(NC(=O)N2CCCN(C)CC2)c(F)c1 181588756 DTNLTOUICDJOBV-UHFFFAOYSA-N 309.341 1.782 0 40 DDAB CCn1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)n1 72239549 UXNBDCYMFJEKHL-LBPRGKRZSA-N 302.334 1.626 0 40 DDAB Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1C(=O)O 539842034 PLWCGSWVJUWKFW-UHFFFAOYSA-N 321.358 1.408 0 40 DDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72237977 IZJRLFYTZIYKQP-HZPDHXFCSA-N 320.389 1.128 0 40 DDAB COc1cccc([C@H](CNC(=O)NC2CC2)N2CCOCC2)c1 36075783 GLIGYFJALQWBLL-INIZCTEOSA-N 319.405 1.530 0 40 DDAB Cc1cc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)o2)n(C)n1 72241035 BIHQICQIJIDKFQ-CYBMUJFWSA-N 316.361 1.760 0 40 DDAB CC(C)CN1CCN(CC(=O)Nc2cccc3nonc23)CC1 32578592 BPXQAWHVESHWMO-UHFFFAOYSA-N 317.393 1.435 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN(CCn2cccn2)CC1 62153583 SUWFYMTUYIUGAY-UHFFFAOYSA-N 323.400 1.822 0 40 DDAB Cn1cccc1[C@H](O)CCNC(=O)NCCc1ccccc1 217950291 XCRDDPLQLLCIDY-MRXNPFEDSA-N 301.390 1.991 0 40 DDAB COC(=O)[C@@H]1C[C@H](NCc2ccco2)CN1C(=O)OC(C)(C)C 32919526 KFDSNZFOZVHNMJ-AAEUAGOBSA-N 324.377 1.920 0 40 DDAB CN(CC1CCN(CCN)CC1)C(=O)OCc1ccccc1 79411521 KQNYVWRGONXEQE-UHFFFAOYSA-N 305.422 1.926 0 40 DDAB CC(=O)N1CC(c2nc(C)cc(N3CCC(F)(F)CC3)n2)C1 72365503 MFZQCTGAQCPWOP-UHFFFAOYSA-N 310.348 1.966 0 40 DDAB Cc1c(NC(=O)c2cc3occc3n2C)c(C(N)=O)nn1C 40266731 KSIHCHPZKFQFMC-UHFFFAOYSA-N 301.306 1.164 0 40 DDAB CCN1CCN(C(=O)[C@@]2(C)CC(c3cccs3)=NO2)CC1 226747919 AJTXMCJMQCBMIK-OAHLLOKOSA-N 307.419 1.795 0 40 DDAB O=C1CC[C@H](C(=O)NCCc2c[nH]c3ccc(Cl)cc23)N1 80661925 RREFOAYROAHIJX-CYBMUJFWSA-N 305.765 1.759 0 40 DDAB COCCNC(=S)N1CCN(C2Cc3ccccc3C2)CC1 225212080 IZGAHSDFBTYXGR-UHFFFAOYSA-N 319.474 1.292 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3ccc(O)cc3F)CC2)no1 97232608 KFUCELRYDSMTAU-UHFFFAOYSA-N 320.324 1.181 0 40 DDAB Cn1ccnc1C(=O)NCCc1nc2ccc(F)cc2n1C 96454075 FNHPFUUDRVAKGE-UHFFFAOYSA-N 301.325 1.418 0 40 DDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107256 RSJCFTFMTAUVGE-PBHICJAKSA-N 317.389 1.667 0 40 DDAB CC(C)C[C@H](NC(=O)C1=CCCC1)C(=O)N1CCC(CO)CC1 96494433 BKGSPBQQUXHEJR-INIZCTEOSA-N 322.449 1.859 0 40 DDAB Cn1cccc1C(=O)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96239165 JAOXNAQWGOKFFW-SFHVURJKSA-N 324.384 1.689 0 40 DDAB O=C([C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCCC1 96344285 UZZNWRQDYAOXMH-SNVBAGLBSA-N 316.336 1.677 0 40 DDAB C[C@H](NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccncc1 95454002 XKPIWQSESBZMKA-UAGQMJEPSA-N 305.422 1.470 0 40 DDAB COc1cc(CO)c(Cl)cc1OCC(=O)N1CCOCC1 95095164 IFGUKJPPHUNXHK-UHFFFAOYSA-N 315.753 1.079 0 40 DDAB CCc1noc(C)c1C(=O)N1CCOC[C@@H]1c1[nH]ncc1C 257250963 JOUBPXXOQVZXGK-GFCCVEGCSA-N 304.350 1.791 0 40 DDAB CC(C)S(=O)(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257277121 NWNGASZOQRDVHT-ZDUSSCGKSA-N 313.423 1.259 0 40 DDAB CCO[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1 253387199 ZNDPPZWIVUFNRE-ZDUSSCGKSA-N 316.361 1.810 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2ccc(C(=O)O)cc2)CCO1 257266291 MCHVPOBAYLTBCZ-MRXNPFEDSA-N 306.362 1.064 0 40 DDAB Cc1ccsc1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 42723793 NKAUVCYGHLWVNV-JTQLQIEISA-N 319.473 1.593 0 40 DDAB CO[C@H]1CN(C(=O)c2cc(CC(C)C)no2)C[C@@]12CCCO2 257284396 PCMRHDSNRRPMKR-HOCLYGCPSA-N 308.378 1.893 0 40 DDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2cccn2C)CCO1 257248522 JEAJVXIVWJMPKZ-CYBMUJFWSA-N 315.377 1.095 0 40 DDAB Cc1ncccc1C(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257282270 OTBYKSNDWOKPBF-AWEZNQCLSA-N 312.373 1.511 0 40 DDAB O=C(CCN1CCCC1)N1CCOC[C@@H]1CCc1cnccn1 257312479 UODGSZWNZGFMMN-INIZCTEOSA-N 318.421 1.123 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)Cn2cc(C)cn2)n1 257270210 MTEFNJBDIRGKEY-ZDUSSCGKSA-N 300.366 1.387 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3cccnn3)CCO2)ncn1 257290352 QCQALATVVPYIMQ-AWEZNQCLSA-N 313.361 1.049 0 40 DDAB COc1ccc2nnc(CNC(=O)/C(C)=C/c3ccccc3)n2n1 252494649 OAXGJHPQWSJMLU-ZRDIBKRKSA-N 323.356 1.853 0 40 DDAB COc1ccc([C@H]2CNCCN2CC(=O)N2CCCC2)cc1 257258315 KTHWPMOIRYPIET-MRXNPFEDSA-N 303.406 1.264 0 40 DDAB CO[C@H]1C[C@H](CC(=O)O)N(C(=O)c2cnn(C(C)(C)C)c2)C1 263098258 QXGLDOUPEMWIOH-NEPJUHHUSA-N 309.366 1.342 0 40 DDAB CO[C@@]1(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CCSC1 96097724 BNKPOFWHPQVMDM-MLGOLLRUSA-N 322.430 1.502 0 40 DDAB CNS(=O)(=O)c1cc(N)c(O[C@@H](C)C(F)(F)F)cc1F 642882501 FAQLQGBZTCKYSG-YFKPBYRVSA-N 316.276 1.646 0 40 DDAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)c1csc(C)n1)C2 585102968 MTUUFLMDNYFXSS-IUODEOHRSA-N 309.435 1.492 0 40 DDAB CCOCC(=O)N1CCC2(CC1)CN(C)C[C@H]2COCC1CC1 585103942 UIYRJWXEPPRBSD-INIZCTEOSA-N 324.465 1.620 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@@H](C)C2 585097975 PXXRIBFHQIPCAZ-LBPRGKRZSA-N 315.377 1.215 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@H]1CCCO1 44891016 SRCLOOAQMLGHDP-OLZOCXBDSA-N 306.362 1.647 0 40 DDAB CCN(Cc1nnnn1Cc1ccccc1)C[C@H]1CCOC1 48302918 VGTNZKCJKCTLGA-OAHLLOKOSA-N 301.394 1.580 0 40 DDAB COc1ccc(O[C@@H](C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1 55143635 PGMXLBQNHKRTNP-LBPRGKRZSA-N 322.405 1.836 0 40 DDAB CNC(=O)COc1cccc(CNC(=O)NC[C@H]2C[C@H]2C)c1 56975431 VWMOWFOOKRVQCI-DGCLKSJQSA-N 305.378 1.267 0 40 DDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccnc2)C1 57315155 HQRQDBQBDFOZPK-JSGCOSHPSA-N 305.378 1.085 0 40 DDAB O=C(NCC(F)(F)F)[C@@H]1CCCN(CCN2CCCCC2)C1 72795694 UTHITMWDBROYRH-CYBMUJFWSA-N 321.387 1.863 0 40 DDAB CN(CC1CCN(CCO)CC1)c1ncnc2ccsc12 69952043 BMJPIVGGGCIMCK-UHFFFAOYSA-N 306.435 1.832 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)CCn2cncn2)C12CCCCC2 75092905 KIHHLZUKGQSJAY-KGLIPLIRSA-N 306.410 1.912 0 40 DDAB O=C(O)c1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 157190 WGPKTSLFOQFARM-NSHDSACASA-N 313.309 1.955 0 40 DDAB COCCS(=O)(=O)N1CCc2cc(Br)ccc21 89420224 YUUIBENTZCLKDX-UHFFFAOYSA-N 320.208 1.788 0 40 DDAB CN(C)CC(=O)Nc1ccc(I)cc1 14152885 XNLNHRXHEJJPOP-UHFFFAOYSA-N 304.131 1.791 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 14208417 GQHFZMJPKWQVOD-UHFFFAOYSA-N 307.737 1.596 0 40 DDAB CC1(C)[C@@H](O)CCN1C(=O)c1ccnc(NC(=O)C2CC2)c1 514641459 GTBTUNAGQVPQLR-LBPRGKRZSA-N 303.362 1.416 0 40 DDAB O=C(CCc1ccsc1)N1CCN(c2ncccn2)CC1 6882388 LLDBICZFWCLRKA-UHFFFAOYSA-N 302.403 1.820 0 40 DDAB Cc1ccc(F)cc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037983610 AEVWZBRKWMUETF-BBRMVZONSA-N 306.381 1.813 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100026833 WRNZHKUBWSDTRF-SJJUBHFPSA-N 322.364 1.693 0 40 DDAB CC(C)N(C(=O)CSc1ncnc2c1nnn2C)C(C)C 13531909 QPRKQHXQASTQBQ-UHFFFAOYSA-N 308.411 1.496 0 40 DDAB Cn1cnc2c(NCc3cn(-c4cccs4)nn3)ncnc21 1775974165 MARPPPJZTYNTAE-UHFFFAOYSA-N 312.362 1.618 0 40 DDAB CC(C)(C)OC(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 575413755 PUHBOQQGBZOLLZ-GFCCVEGCSA-N 318.439 1.163 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC=CCC2)s1 40218146 RSEJEDNWVZTSBV-SNVBAGLBSA-N 314.432 1.411 0 40 DDAB O=C(NCc1cccc(F)c1)C1(n2cnnn2)CCCCC1 40285019 UEIQCKWTQYSCMM-UHFFFAOYSA-N 303.341 1.788 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)c1nccnc1N)CC2 31035335 WDTSISRTLKXUTF-UHFFFAOYSA-N 314.345 1.275 0 40 DDAB CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1=O 40534551 KFILDALAXOOXDB-MRVPVSSYSA-N 317.267 1.440 0 40 DDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)c1ccc2c(c1)OCCO2 40528043 RKRZHIXKDDRFJO-JTQLQIEISA-N 323.374 1.231 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nc1 40511909 GLWCGESZGOTFDR-SECBINFHSA-N 301.268 1.739 0 40 DDAB Cn1nc(C(=O)NC2CCCC2)cc1C(=O)NC1CCCC1 20616664 RJRBYISELKGECT-UHFFFAOYSA-N 304.394 1.765 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN(c2ccncc2)CC1 8122622 XCVUXAAZXIFLEV-UHFFFAOYSA-N 300.362 1.903 0 40 DDAB CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 1569792 FVNPLMZSNACTDL-ZFWWWQNUSA-N 316.405 1.054 0 40 DDAB CCOCCCNC(=O)Cn1nc(C)c2ccccc2c1=O 21303696 VWCZGGOFZFQYAN-UHFFFAOYSA-N 303.362 1.248 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 41132657 UAUYPCZHWGQAKC-SNVBAGLBSA-N 316.279 1.462 0 40 DDAB O=C(NC1CCCC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986863 UQOHOVNIKXYTOE-GJZGRUSLSA-N 317.389 1.713 0 40 DDAB CCC(CC)NC(=O)CN1CCN(C(=O)c2ccoc2)CC1 32804200 LPQVTJBPCHKHHG-UHFFFAOYSA-N 307.394 1.342 0 40 DDAB Cc1cc(C(=O)NCCNC(=O)NC2CCCCC2)nn1C 2741039 ODNUPJRUOJSEQP-UHFFFAOYSA-N 307.398 1.090 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)NCc1ccccc1 8661844 NEEQQVFSRQHLNE-UHFFFAOYSA-N 322.368 1.888 0 40 DDAB O=C(Nc1nnc([C@H]2CCCO2)o1)[C@H]1COc2ccccc2O1 10971055 UIWAQSAQMJKUBT-VXGBXAGGSA-N 317.301 1.700 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCCS(C)(=O)=O 75605289 LFJRQHJQROVEPW-NSHDSACASA-N 319.858 1.954 0 40 DDAB CN(Cc1nccn1C)C[C@H](c1cccs1)N1CCOCC1 75603832 ZPUGYEKDNILKKQ-CQSZACIVSA-N 320.462 1.987 0 40 DDAB CCc1ccc(CNC(=O)CN(CC(N)=O)C2CCCC2)s1 52844185 SWWIFEHWIHGVSC-UHFFFAOYSA-N 323.462 1.657 0 40 DDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1O 41419803 HHJJRPXIDZEMFP-INIZCTEOSA-N 322.430 1.330 0 40 DDAB CC1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 47102191 MYYFTECFKZOFSD-AWEZNQCLSA-N 303.410 1.887 0 40 DDAB COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(C)C2)cc1 61622822 MIRBJYKXBYOPAM-AWEZNQCLSA-N 304.390 1.869 0 40 DDAB COc1ccc2oc(C)c(C(=O)N3CC[C@H](C(N)=O)C3)c2c1 53895195 BJVGBFZJNSCXTO-JTQLQIEISA-N 302.330 1.697 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 76045909 VRLYAVKNXZXWDM-GFCCVEGCSA-N 316.365 1.069 0 40 DDAB COC(=O)[C@@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)c1ccccc1 22989408 INATUWVPZNUQOY-AAEUAGOBSA-N 321.373 1.995 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1cn(C)nc1C(F)(F)F 54000360 NMWNIZDCCZCZGT-VIFPVBQESA-N 304.316 1.653 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101457324 JSWQJKDSBFMSPY-LHHMISFZSA-N 310.482 1.826 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1F 77105353 KABZCWTZTUKMFW-LLVKDONJSA-N 311.375 1.357 0 40 DDAB CN1C(=O)[C@@H](NC(=O)C(=O)NC2CCCCC2)c2ccccc21 101668777 YNHGDUZZXLJXOK-AWEZNQCLSA-N 315.373 1.269 0 40 DDAB CN(C)c1nnnn1S(=O)(=O)c1ccc(Cl)cc1Cl 1387315 NYDDOXBMSSDNNK-UHFFFAOYSA-N 322.177 1.283 0 40 DDAB CNC(=O)c1cccnc1N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 78264979 BQBGETWMGVTXCO-CHWSQXEVSA-N 318.421 1.937 0 40 DDAB CN1C(=O)NC(=O)[C@@H](C2CCN(Cc3ccccc3)CC2)C1=O 103720851 ADGQWITULURKMK-CQSZACIVSA-N 315.373 1.223 0 40 DDAB Cc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 21872015 WIYJPMCHODNZGT-CYBMUJFWSA-N 312.435 1.922 0 40 DDAB COC(=O)c1ccc(F)c(NC(=O)N[C@H]2CCCNC2=O)c1 78729405 XJWGMDLGEADVMT-JTQLQIEISA-N 309.297 1.012 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cnn(C)c2)CC1=O 25305781 SYFOVHRTFALWFN-ZDUSSCGKSA-N 312.373 1.974 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CN(C)CCO1 107514816 BOEHDHPPXUULKC-DOTOQJQBSA-N 317.433 1.574 0 40 DDAB C[C@@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCc2ccccc2C1 78927804 RGZBJANEXACSTR-YOEHRIQHSA-N 324.428 1.761 0 40 DDAB Cc1cc(C)cc(N(C)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 54291276 BRHGPUZGJSUBMT-AWEZNQCLSA-N 324.446 1.385 0 40 DDAB CCCCCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(C)c1=O 10104345 APZBETAQYZMYNO-UHFFFAOYSA-N 303.366 1.565 0 40 DDAB CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NC)o1 27706166 BGJMHXOSWWAIGV-MNOVXSKESA-N 314.407 1.886 0 40 DDAB Cc1cc([C@H]2CCCN2CCn2nc3ccccn3c2=O)on1 44975809 UHBHLAYVTOTZRY-CYBMUJFWSA-N 313.361 1.630 0 40 DDAB O=C(N[C@H]1CCc2ccccc21)N1CCN(c2cnccn2)CC1 44910157 GZJCHCQXCRVRST-INIZCTEOSA-N 323.400 1.996 0 40 DDAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)[C@@H]1CCCO1 27888616 OFWSSEGEFUVJMW-RISCZKNCSA-N 303.362 1.024 0 40 DDAB CCOc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1 3379880 XBBMGEPZOMNJBJ-UHFFFAOYSA-N 315.329 1.979 0 40 DDAB CC[C@]1(C)Cc2c(sc3nc(NN)n4ncnc4c23)CO1 2453064 NVTJXOKUABUMCL-CYBMUJFWSA-N 304.379 1.866 0 40 DDAB C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 36728997 KNDNURHCNWJQDF-DZGCQCFKSA-N 324.446 1.878 0 40 DDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cn1 45888951 MGVQHFSHMCTOQN-ZDUSSCGKSA-N 305.378 1.211 0 40 DDAB Cc1noc(C)c1CCC(=O)NCCC(=O)Nc1ccccn1 45830334 YJNAWEWHSSQLBZ-UHFFFAOYSA-N 316.361 1.764 0 40 DDAB Nc1nccnc1C(=O)NCc1ccccc1CN1CCCC1 12816054 GMFOFUXPMOTFLP-UHFFFAOYSA-N 311.389 1.585 0 40 DDAB CN1CC[C@@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CC1=O 70039933 VTTSVXGLAJBCJA-KGLIPLIRSA-N 304.394 1.133 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505401 AMYTVRXCBUWCDO-LBPRGKRZSA-N 307.394 1.642 0 40 DDAB COC[C@H](C)NC(=S)N1CCN(c2ccccc2OC)CC1 13097129 XVACRPFCAPJSPK-ZDUSSCGKSA-N 323.462 1.727 0 40 DDAB C[C@H](NC(=O)NCc1ccncc1)C(=O)N1CCCC[C@@H]1C 69812342 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O[C@@H](COCc1ccco1)CN1CCCC[C@@H]1Cn1cccn1 69946407 WANJWSZATCRSPQ-HZPDHXFCSA-N 319.405 1.908 0 40 DDAB Cn1cc([C@H]2CCCN2Cc2cc(=O)n3ccccc3n2)cn1 69703038 NUXQKOBDHZOMED-OAHLLOKOSA-N 309.373 1.765 0 40 DDAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(N)=O 7232409 RLGRQKXKMWRFKQ-LLVKDONJSA-N 303.358 1.945 0 40 DDAB CC(C)c1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C 8828903 PARBAXDLOZURJE-UHFFFAOYSA-N 313.317 1.112 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n[nH]1 84111041 KLXVMLUACUVHID-CYBMUJFWSA-N 316.409 1.876 0 40 DDAB CC(C)n1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)n1 72293128 UUQDUIBATNJHET-AWEZNQCLSA-N 302.382 1.462 0 40 DDAB CCN1CCO[C@@H](CNCc2nccn2CC(F)(F)F)C1 72268794 BFPCMIDHTGEYMB-NSHDSACASA-N 306.332 1.256 0 40 DDAB Cc1cccc(O[C@H](C)CNC(=O)Cn2ccccc2=O)c1 96426727 RSLSUJAHXMTXKA-CQSZACIVSA-N 300.358 1.740 0 40 DDAB Cc1cc(C(=O)N(CC(N)=O)C2CCCC2)nn1C(C)(C)C 71821148 CXBISVINLFFJAT-UHFFFAOYSA-N 306.410 1.817 0 40 DDAB CCOc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1 71867468 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O=C(O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 89809712 CVJLIMNRBBZQOY-UHFFFAOYSA-N 316.279 1.548 0 40 DDAB COC(=O)C1(N(C)C(=O)[C@@H](C)S(=O)(=O)C(C)C)CCCC1 89890950 QRIKGOVGYGEXHS-LLVKDONJSA-N 319.423 1.142 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cc1 37405993 SYDLNYMTWUZCPY-CYBMUJFWSA-N 315.391 1.863 0 40 DDAB COc1cc(C(=O)N[C@H]2CCCc3nc(C)ncc32)nn1C 72242577 OJNMHQJRPCNNFV-LBPRGKRZSA-N 301.350 1.335 0 40 DDAB NC(=O)c1ccc([C@H]2CN(C(=O)C3CCCC3)CCO2)nc1 72388024 UMKSKQPZFBZKRW-CQSZACIVSA-N 303.362 1.271 0 40 DDAB COc1cc(C(=O)NCCO)ccc1OCc1ccccc1 123094771 MWQYREQYSGCJNL-UHFFFAOYSA-N 301.342 1.996 0 40 DDAB CNC(=O)c1nnsc1N1CCC(N2CCCCC2)CC1 33435883 JXBOORJMBYZFJF-UHFFFAOYSA-N 309.439 1.352 0 40 DDAB CC(C)(C)c1noc(-c2cccn3c(CC(=O)O)nnc23)n1 72221303 MBJRSUXBPCUDHG-UHFFFAOYSA-N 301.306 1.704 0 40 DDAB O=C(CN1CCC[C@@H](O)C1)NC(=O)NCCC1=CCCCC1 40460386 YOKDWPNOTRKVTF-CQSZACIVSA-N 309.410 1.159 0 40 DDAB COc1cc(CN2C(=O)CC[C@H]2C(=O)O)cc(OC)c1OC 49920245 LXXOVXRFFJHSSI-JTQLQIEISA-N 309.318 1.288 0 40 DDAB COc1ccc(NC(=O)NCc2ccnc(N(C)C)n2)cc1 224237233 DRNMIKATTFCRMA-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccccc1 224154278 GEYCWUVAMVYRBZ-UHFFFAOYSA-N 318.402 1.555 0 40 DDAB CO[C@@H]1CN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CCO1 569598754 LNLKQSWOJDKGRO-ZDUSSCGKSA-N 320.324 1.160 0 40 DDAB Cn1nc(C(=O)N2CCOCC2)cc1NC(=O)c1cccs1 40745960 ZMYWIEHUMQVCNE-UHFFFAOYSA-N 320.374 1.206 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](O)c1ccoc1 75171850 HENOJOZUEFGRTA-LLVKDONJSA-N 315.322 1.439 0 40 DDAB COCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 80660832 FCKQVWJOAVQAJE-HNNXBMFYSA-N 305.422 1.939 0 40 DDAB CCc1nc(C[S@](=O)c2ccc3c(c2)OCCCO3)n[nH]1 194506493 AVAQAPNRQYZKEO-NRFANRHFSA-N 307.375 1.836 0 40 DDAB O=C(NCc1cnc2n1CCN(Cc1ccoc1)C2)C1CC1 96201166 YSEPUSOZXYWETA-UHFFFAOYSA-N 300.362 1.518 0 40 DDAB CC[C@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)CC 96454348 IAAUUAZUAWHMRQ-HNNXBMFYSA-N 324.446 1.804 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1sc(C)nc1C 96439681 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C[C@@H](C(N)=O)N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 58202156 CVLNCQYXKIBBDV-LBPRGKRZSA-N 314.389 1.190 0 40 DDAB CCNC(=O)CN1CCN(c2cccc(C(F)(F)F)n2)CC1 58355945 LBGJKFBNIJBODC-UHFFFAOYSA-N 316.327 1.359 0 40 DDAB O=C1CCC(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)CC1 72306956 XIFSCHBJCXYFPK-HNNXBMFYSA-N 318.373 1.646 0 40 DDAB CCn1c(SCC(=O)OC(C)C)nnc1-c1cnccn1 525173 BJZZUTLOPFPRBQ-UHFFFAOYSA-N 307.379 1.799 0 40 DDAB Cn1ncc(NS(=O)(=O)c2ccccc2Cl)c1C(=O)O 95455630 BGYHKYIAAGARHE-UHFFFAOYSA-N 315.738 1.573 0 40 DDAB CO[C@H]1[C@H](CNC(=O)c2cc(C)ccc2C)COC[C@H]1OC 1615130948 TVRVUQMLRUEPEP-BMFZPTHFSA-N 307.390 1.710 0 40 DDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nncs1 19822758 RHXGIEKBKKOSMI-UHFFFAOYSA-N 317.779 1.604 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1 206934440 VTRXYMVBSKCHDI-CYBMUJFWSA-N 320.374 1.116 0 40 DDAB CC(=O)c1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 158187016 OZEXUONLDXMDHR-UHFFFAOYSA-N 314.385 1.974 0 40 DDAB C[C@H](C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O 1888897648 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CCCc1noc([C@H](C)NCC2CCN(C[C@H](C)O)CC2)n1 69511765 JLGLUZNQQHBBIA-STQMWFEESA-N 310.442 1.766 0 40 DDAB CCN(CC(=O)N1CCO[C@H](C)C1)Cc1ccc(OC)cc1 52038778 AAHPEHCWQLYJIR-CQSZACIVSA-N 306.406 1.764 0 40 DDAB COC(=O)CSCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 21110976 WFCITPWLLFPFCN-JTQLQIEISA-N 322.386 1.657 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)C)s1 32865709 DJNJHZKSGBLTIB-UHFFFAOYSA-N 304.437 1.661 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3nccn3c2)on1 69666541 STBVARAXDUEQDX-SNVBAGLBSA-N 314.301 1.815 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NC2CCC(C)CC2)o1 32914131 IHDYORSJLHSFDW-UHFFFAOYSA-N 300.380 1.496 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32912252 CNRLXQIBLGBXAN-AAEUAGOBSA-N 323.370 1.013 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 52832041 BCPHHJZPJLITDY-QGZVFWFLSA-N 321.396 1.590 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccc(OC)cc2[nH]1 33213493 XXVBIKGWJWCSJV-HNNXBMFYSA-N 315.373 1.917 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCCN(C)Cc2ccccc2)CC1=O 53349639 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CCc1nnsc1C(=O)NCc1cccc(C(=O)NC)c1 25627867 AMHDNZKFQDPBCJ-UHFFFAOYSA-N 304.375 1.390 0 40 DDAB C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CC1 25772419 JPKMDSAQIALPBU-ZUZCIYMTSA-N 314.389 1.662 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2cccs2)CC1 26098049 DOCOBYRTDJECGT-SNAWJCMRSA-N 314.432 1.302 0 40 DDAB O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C1=CCCC1 108143939 PPKLDEKUNASVJZ-DLBZAZTESA-N 300.402 1.848 0 40 DDAB C[C@@H]1CCCCN1C(=O)Cn1nnc(COc2ccccc2)n1 44872300 XRRRMKGAIYTXQN-CYBMUJFWSA-N 315.377 1.653 0 40 DDAB Cc1cc(CN2CCN(C(=O)Cn3nc(C)cc3C)CC2)on1 44890417 RILJRHWYVWZVDL-UHFFFAOYSA-N 317.393 1.141 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1-n1cnnn1 27904454 RXMUVIYXUOKJTA-SMDDNHRTSA-N 301.350 1.268 0 40 DDAB COc1cccc(CC(=O)N2CCC[C@@H](c3nncn3C)C2)c1 48253499 HULPADYYLCIBOV-CQSZACIVSA-N 314.389 1.772 0 40 DDAB C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)n1cncn1 45882086 YTSDJFULIVZGLA-RISCZKNCSA-N 305.357 1.397 0 40 DDAB O=C(NCCCO)Nc1ccc(I)cc1 62639956 ZSSOCWYXXVGXJY-UHFFFAOYSA-N 320.130 1.795 0 40 DDAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)OCCO2 12984750 HBGZQGDRSGVUFN-SNVBAGLBSA-N 300.314 1.637 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccccn1 13113012 CQIRRZPXCXVPNV-UHFFFAOYSA-N 308.341 1.220 0 40 DDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCNC3=O)c12 64098606 SDAZCMYUPLCDFG-NSHDSACASA-N 314.345 1.417 0 40 DDAB CC(=O)O[C@@H]1OCCO[C@@H]1NC(=S)Nc1ccc(C)cc1 13555788 LDUGLUSMNLSPLG-STQMWFEESA-N 310.375 1.544 0 40 DDAB O=C(O)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O 4105447 GSTRTJXHANNPIN-UHFFFAOYSA-N 317.322 1.730 0 40 DDAB Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)O)C1=O)OCO2 409149080 WYORGOYOPRAMKN-NYYWCZLTSA-N 321.310 1.845 0 40 DDAB O=C1NC2=C(C(=O)N(CCCO)C2)[C@H](c2ccc(Cl)cc2)N1 8878084 VQTKVJGBFXIELU-ZDUSSCGKSA-N 321.764 1.173 0 40 DDAB CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 4497883 BMBTYUUTHGWALI-AWEZNQCLSA-N 319.405 1.624 0 40 DDAB Cn1c(CSC[C@H](O)c2ccccc2)cc(=O)n(C)c1=O 65605874 QLEDOGZEOCEXBL-ZDUSSCGKSA-N 306.387 1.051 0 40 DDAB CCN(CC)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 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CN(CC(=O)N1CCC(c2ccccc2)=N1)[C@@H](CO)C(C)(C)C 84169098 BEXZGVJFFMIEET-INIZCTEOSA-N 317.433 1.962 0 40 DDAB Cc1ncsc1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97086390 WELDTFWBEHVSNP-LBPRGKRZSA-N 316.386 1.772 0 40 DDAB Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 72292361 YJVCKSCOCLHDHH-RISCZKNCSA-N 317.393 1.925 0 40 DDAB Cc1cccc(C)c1CNC(=O)N1CCOC[C@@H]1C[C@@H](C)O 97162015 PKHBCZOXHWBJMA-CABCVRRESA-N 306.406 1.985 0 40 DDAB O=C(NC1(c2ncon2)CCOCC1)c1cc2ccccn2c1 97108976 QQFOESVWHJVEAB-UHFFFAOYSA-N 312.329 1.758 0 40 DDAB CC(=O)N1CCC(N[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 72314529 JJPGVQQNGPEPOB-AWEZNQCLSA-N 317.433 1.634 0 40 DDAB CCc1nc([C@H](C)NC(=O)Nc2nccn(C)c2=O)cs1 97234890 YQQCPBQGPNEKBS-QMMMGPOBSA-N 307.379 1.682 0 40 DDAB C[C@H](Cn1nc(C(N)=O)ccc1=O)C(=O)c1ccc(F)c(F)c1 97378367 BBTWKBQFEGXAJL-MRVPVSSYSA-N 321.283 1.139 0 40 DDAB C[C@@H](C(=O)Nc1cccc(-n2cccn2)c1)N1CCN(C)CC1 95395856 ZBNSATXPZPNYCB-AWEZNQCLSA-N 313.405 1.447 0 40 DDAB Nc1c([N+](=O)[O-])cc(F)c(N2CC[C@@H](O)C2)c1Br 95402813 MOQZJIJRJYVWND-RXMQYKEDSA-N 320.118 1.650 0 40 DDAB CS(=O)(=O)C[C@@H](NC(=O)Cc1cccnc1)c1ccccc1 95431697 HMSBWOCGINULPL-OAHLLOKOSA-N 318.398 1.526 0 40 DDAB CN1CCN([C@@H]2CCCCN(C(=O)Nc3nccs3)C2)CC1 95405452 XZHSVPJXHSMGNK-CYBMUJFWSA-N 323.466 1.777 0 40 DDAB Cc1cnc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cn1 73950576 PFALTRQAJVUYOY-AAEUAGOBSA-N 310.357 1.793 0 40 DDAB O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCCC[C@@H]1CCO 95987559 GZSMFSXSYFAJSS-LLVKDONJSA-N 319.365 1.511 0 40 DDAB CC(C)NC(=O)CN1CCN(C(=O)c2ncoc2C(C)C)CC1 95956528 CSDLYGKTYLWGCR-UHFFFAOYSA-N 322.409 1.080 0 40 DDAB CN(C)S(=O)(=O)N(Cc1ccc(O)cc1)Cc1ccco1 89319487 OLZCHLNCHDGDGM-UHFFFAOYSA-N 310.375 1.794 0 40 DDAB C[C@@H](C(=O)NCCc1ccc2ccccc2n1)S(C)(=O)=O 89478719 RLSXGQHQVRSRES-NSHDSACASA-N 306.387 1.327 0 40 DDAB Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1cscn1 75147502 JCEHFHHGNUUUMO-UHFFFAOYSA-N 320.827 1.359 0 40 DDAB Cn1cccc1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 89756721 ZJLBJAWKJXJUBR-SNVBAGLBSA-N 310.300 1.473 0 40 DDAB O=S1(=O)CCC[C@H]1CNCc1cc2ccccc2nc1O 89873043 GKRDWHINIFJTNY-ZDUSSCGKSA-N 306.387 1.607 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(C)C[C@@H]1C 89942745 RCYDHLWGUYPSTC-MELADBBJSA-N 307.442 1.817 0 40 DDAB C[C@@H](NC(=O)CN1CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 22816745 AZYHOSTXORKESL-DGTBMVLOSA-N 319.493 1.955 0 40 DDAB COCc1cc(N2CCC(Cc3nncn3C)CC2)ncn1 1548453547 RBSIWNDHIABTGK-UHFFFAOYSA-N 302.382 1.211 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CC[C@H](c2nn[nH]n2)C1 1548761511 CTUMVFBMLLPYRS-ZMLRMANQSA-N 301.325 1.458 0 40 DDAB NC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 408577049 YMTREFWJQXPBJD-UHFFFAOYSA-N 313.357 1.322 0 40 DDAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC)C1=O 409251959 RLKPAPFPKVQIJE-FMIVXFBMSA-N 318.329 1.541 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1cccc(/C=C/C(=O)O)c1 36617513 AVGBESDQBAPDEA-AATRIKPKSA-N 315.285 1.468 0 40 DDAB COc1ccc([C@@H]2[C@@H]3CO[C@@H](C)OC[C@H]3ON2C)cc1OC 36393684 OHTBYKHKYZKELS-QTDMDRALSA-N 309.362 2.000 0 40 DDAB Cc1nc(N2CCC[C@@H](c3noc(C)n3)C2)c2cnn(C)c2n1 72279198 WETYJKVHQQHBMT-LLVKDONJSA-N 313.365 1.747 0 40 DDAB CC(=O)N1CCC[C@@H](c2cnc(N3CCC(O)CC3)cn2)C1 72364936 QAKLMEKBUWLNSA-CYBMUJFWSA-N 304.394 1.164 0 40 DDAB CS(=O)(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 38590281 SEWKTPXEVYPUCQ-UHFFFAOYSA-N 317.842 1.011 0 40 DDAB O=C(Cn1nc(-c2cccnc2)oc1=O)NC1CCCCC1 72346460 ARZQZANFDCJKLS-UHFFFAOYSA-N 302.334 1.347 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 181565335 NURZBINRSYYXMT-NSHDSACASA-N 320.817 1.993 0 40 DDAB Cc1ncsc1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 78984904 AHWJWMOUXHMMQZ-NOZJJQNGSA-N 312.416 1.949 0 40 DDAB COC(=O)CNC(=O)c1nnsc1-c1ccc(Cl)cc1 72242930 YFMWXZRTMUOUNS-UHFFFAOYSA-N 311.750 1.761 0 40 DDAB O=C(OCCn1cncn1)c1ccc(-n2cccn2)c(F)c1 78445844 JVWDMCXNFAFVOO-UHFFFAOYSA-N 301.281 1.460 0 40 DDAB COC(=O)c1ccc(CN(C)S(=O)(=O)N(C)C(C)C)cc1 44944711 GVUREYBGLAKNTE-UHFFFAOYSA-N 314.407 1.490 0 40 DDAB CCOC(=O)N(C)CCOC(=O)[C@H]1CC(=O)Nc2ccccc21 78985862 KNWJXLKHOJOOCH-LBPRGKRZSA-N 320.345 1.744 0 40 DDAB O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1Cc1cccnc1 503881271 MFUIEBBEYXEERS-IRXDYDNUSA-N 308.385 1.852 0 40 DDAB COc1cc(N2CCN(CC3(C(=O)O)CC3)CC2)ccc1F 568640059 YTOVCLCPEUYUAO-UHFFFAOYSA-N 308.353 1.821 0 40 DDAB Cc1noc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 44455379 TWGGMTPLHBQEGZ-UHFFFAOYSA-N 307.375 1.735 0 40 DDAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccccc3)CCN12 85436209 HNUVLYALTNQUSR-QGZVFWFLSA-N 315.417 1.787 0 40 DDAB biogenic,in-vitro O=C(Cn1cc(N[C@H]2CCCc3sccc32)cn1)NCCO 195555957 JBIRQEHIUBKTJW-ZDUSSCGKSA-N 320.418 1.543 0 40 DDAB CCCc1nnc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)s1 48475510 IAMXHGGVFCQEMT-MRVPVSSYSA-N 318.424 1.047 0 40 DDAB Cc1csc(=O)n1CCN1CCN(C(=O)c2ccco2)CC1 44871583 XWKDIISIGSBOQB-UHFFFAOYSA-N 321.402 1.269 0 40 DDAB CN(C)c1cccc(CNC(=O)Nc2ccc3[nH]nnc3c2)n1 96489176 BRVHYHZBKRMAQB-UHFFFAOYSA-N 311.349 1.741 0 40 DDAB COC[C@@H](O)CNC(=O)[C@H](C)c1ccc(Br)cc1 96487682 IWPOAAYBFZPJCV-SKDRFNHKSA-N 316.195 1.676 0 40 DDAB CC(C)NC(=O)[C@H]1CN(Cc2cnn(C)c2)CC12CCOCC2 96052094 JKZNHVNGVUDOJQ-OAHLLOKOSA-N 320.437 1.173 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)N(C[C@H](O)c1ccccc1)CC2 96443372 AKWISLOTWYYTNB-INIZCTEOSA-N 318.398 1.430 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3cccnc3)C[C@H]12)C1CC1 96056276 NRXKAOQBVWQIHQ-YESZJQIVSA-N 315.417 1.445 0 40 DDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1onc(C)c1C 95452253 QPNWPTACHZYDDO-UHFFFAOYSA-N 312.395 1.951 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2C1 96161811 OVQMGGJISZZEMI-UPJWGTAASA-N 307.419 1.183 0 40 DDAB Cc1ccc(S(=O)(=O)CCCN2CC[C@H](C)[C@H](O)C2)cc1 96490683 KCKLQRBFSXTJDG-GOEBONIOSA-N 311.447 1.862 0 40 DDAB CCOc1ncnc2c1CCN(C(=O)c1ccncc1F)CC2 96255619 KHVKGMGRAZOFJF-UHFFFAOYSA-N 316.336 1.650 0 40 DDAB COC(=O)[C@H]1CCC[C@H]1C(=O)N1CCC(c2cnn(C)c2)CC1 97233545 MDWHICRMUNPDJU-CABCVRRESA-N 319.405 1.715 0 40 DDAB Cn1cc(N2C[C@]3(CCN(Cc4ccncc4)C3)CC2=O)cn1 96239304 QESAAOUWRYWRIK-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB Cn1cccc1C(=O)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 96183304 IKPKCBMCUIVHSW-LSDHHAIUSA-N 303.406 1.350 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)Nc2cccc([S@](C)=O)c2)C1 96426107 VQLTYAZPHJJTJI-NSPYISDASA-N 316.448 1.813 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2O1)N1CCCCO1 96218733 UUTNKCXKMPOAST-NUEKZKHPSA-N 320.389 1.813 0 40 DDAB Cn1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257205739 BAKJIRRHSLPBGE-LLVKDONJSA-N 321.406 1.016 0 40 DDAB Cc1c[nH]c(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)n1 257336701 YPQMFINKEJZGEC-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cn(C)c3ccccc23)CCO1 257280237 OKAOUQSVMIBHMS-QGZVFWFLSA-N 315.373 1.155 0 40 DDAB CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(C)S3(=O)=O)cc1 260834410 LVANUISSEKATTI-HZMBPMFUSA-N 310.375 1.058 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)Nc1nncs1 43129302 JXRLBHKYMIHQTC-UHFFFAOYSA-N 320.378 1.091 0 40 DDAB O=C(NCc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575605166 AHJLFVJFJUWJFN-QGZVFWFLSA-N 317.433 1.987 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(C)nc1)[C@H](C)C2 585098017 QKYOTWVBWPTQOA-GFCCVEGCSA-N 315.377 1.215 0 40 DDAB O[C@@]1(COc2cccc(F)c2)CCN(Cc2cnccn2)C1 585269412 SPLGRGILXXGEOH-INIZCTEOSA-N 303.337 1.632 0 40 DDAB Cc1ccccc1CC(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093322 PFOXMHGGSAYWTO-MRXNPFEDSA-N 322.355 1.911 0 40 DDAB Cc1cccc(NC(=O)CN(C)CC(=O)NCc2ccco2)n1 69531043 UMZRGNYYELMMRQ-UHFFFAOYSA-N 316.361 1.170 0 40 DDAB CN1CC[C@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CC1=O 70039932 VTTSVXGLAJBCJA-KBPBESRZSA-N 304.394 1.133 0 40 DDAB O=C(c1ccco1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 72346932 MEGGBSBKZMUISF-UHFFFAOYSA-N 314.345 1.162 0 40 DDAB CC(C)CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 952844832 MNCOBECJQKBFIZ-OVYGPGRDSA-N 317.389 1.308 0 40 DDAB biogenic,in-vitro O=C(NCCOc1ccccc1)N1CC[C@@](O)(C(F)(F)F)C1 81470487 OIBVIJXEHIFNAQ-ZDUSSCGKSA-N 318.295 1.774 0 40 DDAB CN(C(=O)c1cc(-c2ccco2)on1)[C@H]1CCS(=O)(=O)C1 40641738 LRKXOPPZAZXIFI-VIFPVBQESA-N 310.331 1.194 0 40 DDAB CCOC(=O)CSc1nc2c(c(=O)n1C)S[C@H](C)C2 250203 SHRXBRHATKUWIW-SSDOTTSWSA-N 300.405 1.472 0 40 DDAB Cc1ccnn1CCC(=O)N[C@@H](C)Cn1nnc2ccccc21 12183213 OKMIBNRJUVIFFK-LBPRGKRZSA-N 312.377 1.531 0 40 DDAB O=c1[nH]c2cc3c(cc2cc1CNC[C@H]1CCCO1)OCCO3 13999159 VESAJBHRNKTUJY-CYBMUJFWSA-N 316.357 1.568 0 40 DDAB COc1cccc(OC)c1OC[C@H](C)CN1CCN(C)CC1 19708466 XWAXLBKGEMYLDV-CQSZACIVSA-N 308.422 1.966 0 40 DDAB CCOC(=O)c1csc(=O)n1Cc1nnc(C2CCC2)n1C 156704668 IRCSIRNHAXTKRP-UHFFFAOYSA-N 322.390 1.531 0 40 DDAB COCC(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1 1888844080 WHZCJHWOQJZJFS-LBPRGKRZSA-N 307.394 1.648 0 40 DDAB CCN(CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 31663111 YUOXFTSUQRIWAZ-UHFFFAOYSA-N 305.422 1.675 0 40 DDAB Oc1ccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nn1 2086923650 YQKYIYXDPFWQHC-UHFFFAOYSA-N 312.377 1.566 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@@H]3C2)C1 1565546871 FTGPAERHVRVKSU-VQPKISINSA-N 320.433 1.661 0 40 DDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 4505257 ZJJFLAYIEKGVGI-LLVKDONJSA-N 321.395 1.023 0 40 DDAB CCCS(=O)(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5222232 CCZSSJPDZHPGPC-NSHDSACASA-N 316.810 1.775 0 40 DDAB O=C(C1CC1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 2055739259 OYSINPAYCUKKEK-XHSDSOJGSA-N 302.374 1.767 0 40 DDAB Cc1cc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)nc(C)n1 2086861341 FOPDUFPVQPWYTN-ZDUSSCGKSA-N 305.426 1.129 0 40 DDAB C[C@@H](O)CN(C)S(=O)(=O)c1ccccc1Br 51820308 VACXSKDSLXSNPD-MRVPVSSYSA-N 308.197 1.450 0 40 DDAB CC(C)(C)C(=O)NC1CCN(CC(=O)N2CCCCC2)CC1 1004021292 RYWYOWDLNZGIJY-UHFFFAOYSA-N 309.454 1.626 0 40 DDAB CCN1CCN(Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 20503929 GNKVVVUDJXKLPD-UHFFFAOYSA-N 302.374 1.945 0 40 DDAB CC(=O)N[C@@H](C(=O)NCCc1csc(C)n1)C1CCCC1 40489972 KIIGZMCMTWXZPJ-CQSZACIVSA-N 309.435 1.805 0 40 DDAB CCCC12CN(C(=O)CC)CC(C)(CN(C(=O)CC)C1)C2=O 110173 FXPGTHBKACLEQI-UHFFFAOYSA-N 308.422 1.853 0 40 DDAB biogenic C[C@H](CNC(=O)CN1CCCC1=O)N1CCc2sccc2C1 40509598 VZUGALDYDAATRO-GFCCVEGCSA-N 321.446 1.233 0 40 DDAB COc1cccc(CN(C)C(=O)[C@@H](C)S(C)(=O)=O)c1OC 40527859 NPGLJVUATGGXJO-SNVBAGLBSA-N 315.391 1.095 0 40 DDAB O=c1/c(=C\c2cccc(Br)c2)sc2ncnn12 208266 JNEKMXUTBKMUHJ-WEVVVXLNSA-N 308.160 1.461 0 40 DDAB CC(C)c1ccc(CN2CCN(CCS(C)(=O)=O)CC2)cc1 46171460 ZCAWHPVQWWFVMO-UHFFFAOYSA-N 324.490 1.972 0 40 DDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1Cl 32759152 RJVRWVWPKWDQAI-UHFFFAOYSA-N 320.773 1.378 0 40 DDAB O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCOCC1 32751474 VRJBIUHNNIDRQQ-INIZCTEOSA-N 304.390 1.043 0 40 DDAB CCCNC(=O)c1cccc(CNC(=O)c2ccc[n+]([O-])c2)c1 53636330 HBTPMJDSXBEUDQ-UHFFFAOYSA-N 313.357 1.390 0 40 DDAB Cc1cc(C)n2c(CNC(=O)Cc3cccc(F)c3)nnc2n1 9908698 ROCOSMHTCLDZNA-UHFFFAOYSA-N 313.336 1.739 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@](C)(O)c1ccco1 76085561 OPXJMAIXURBIHB-BLLLJJGKSA-N 318.377 1.597 0 40 DDAB COCCC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 105476669 QPNLELRIXGZUTH-YDHLFZDLSA-N 324.352 1.394 0 40 DDAB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(NC(C)=O)cc1 54277974 JSXLYIQCEUBGAB-AWEZNQCLSA-N 319.361 1.221 0 40 DDAB NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 44556891 VQCOCQRBFDYNHF-VIFPVBQESA-N 306.790 1.981 0 40 DDAB c1coc(-c2noc(CN3CCn4c(nnc4C4CC4)C3)n2)c1 78788074 CGLDUONTYRQMOK-UHFFFAOYSA-N 312.333 1.814 0 40 DDAB CN(C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 58176290 OTRPGAQFMYNMRO-UHFFFAOYSA-N 310.419 1.336 0 40 DDAB COCc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 44934505 SRCYQWMNDJNYDO-NSHDSACASA-N 300.362 1.862 0 40 DDAB Cc1cc(N2CCN(C(=O)c3cc[nH]n3)CC2)nc(C(C)C)n1 44966914 PBZPLRLIBNTCNL-UHFFFAOYSA-N 314.393 1.594 0 40 DDAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)no1 44916710 IFFJTSFXDZSUGU-GFCCVEGCSA-N 305.378 1.733 0 40 DDAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1c[nH]ccc1=O 44901606 DPRMTBNSDCMNKB-UHFFFAOYSA-N 305.721 1.283 0 40 DDAB COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OC 3237824 LVZDBDBWACWPID-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB COC(=O)[C@@H](C)Sc1nnnn1-c1cc(OC)ccc1OC 58306571 AMPHIORGVBIXPU-MRVPVSSYSA-N 324.362 1.333 0 40 DDAB CCO[C@@H](C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 58325764 NUGFKPCARJHFHJ-JTQLQIEISA-N 319.810 1.655 0 40 DDAB O=C(c1cncn1-c1ccccc1)N1CCC2(CC1)OCCO2 28023758 WBICJPLYUARAHA-UHFFFAOYSA-N 313.357 1.851 0 40 DDAB O=S(=O)(C[C@H]1CCCO1)c1ccc(Br)cn1 45360253 UFZIRGDGOXSXAD-SECBINFHSA-N 306.181 1.797 0 40 DDAB C[C@@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)CCC(=O)N2 48274321 VORWIPGISXDSHN-SNVBAGLBSA-N 313.361 1.855 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CCNC(=O)[C@H]2C[C@H]2C)cn1 48342999 PHHZVHAZFGOJSR-OCCSQVGLSA-N 319.405 1.647 0 40 DDAB CCOc1cccc(CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1 48377505 OLXBBHCGSYMUKX-SWLSCSKDSA-N 304.390 1.864 0 40 DDAB COc1cccc(CCNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1 48301255 YVBPCXVVXITIFP-WFASDCNBSA-N 304.390 1.516 0 40 DDAB O=C(Nn1cnc2ccccc21)c1n[nH]c(=O)c2ccccc12 12858820 BANKFWZMBHPMOU-UHFFFAOYSA-N 305.297 1.657 0 40 DDAB COc1ccccc1/C=C1\NC(=S)N(C[C@@H]2CCCO2)C1=O 13119111 GYPCODDYZJFILL-VWLVURMCSA-N 318.398 1.932 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CCO1 13455933 CZXSQCGMVWJMNQ-QMMMGPOBSA-N 319.766 1.448 0 40 DDAB O=C(Nc1nnc[nH]1)c1csc(-c2ccc3c(c2)OCO3)n1 69485008 KUZRAIQKRVKLFS-UHFFFAOYSA-N 315.314 1.909 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc2ccccc2s1 6113220 VOIXQDZHJHZPKU-UHFFFAOYSA-N 306.343 1.904 0 40 DDAB CC1CCN(CCNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1 65496139 ZCGKHOCWRYXNNA-CVEARBPZSA-N 312.454 1.809 0 40 DDAB CCOCCN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 69656010 XPRHXTPASXMICO-UHFFFAOYSA-N 319.449 1.543 0 40 DDAB CCS(=O)(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 65611551 XPWUQQFAWAWNCW-NSHDSACASA-N 320.455 1.961 0 40 DDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1ccc(C)s1)C2 90168899 VNGHCEWEKWDOBR-NSHDSACASA-N 311.432 1.855 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cccc(O)c1)C(=O)OC 7101433 DJTULOINOYHLCN-YGRLFVJLSA-N 323.345 1.253 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)[C@H](C)c1cccnc1 110588202 KBCRAKQMYGMZRS-QLFBSQMISA-N 320.437 1.893 0 40 DDAB O=C(CCn1nc(O)ccc1=O)N[C@@H]1CCCc2ccccc21 9058117 PFPDPOVWDBBRQR-CQSZACIVSA-N 313.357 1.533 0 40 DDAB CC[C@H](Cc1ccccc1)N(C)Cc1nc(N)nc(N(C)C)n1 83212789 CGFTXEJUVQEFSJ-CQSZACIVSA-N 314.437 1.973 0 40 DDAB O=C(CC(=O)NCC(F)(F)F)NCc1ccc2c(c1)CCC2 96000705 FSPQHCBYLDEXDB-UHFFFAOYSA-N 314.307 1.860 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)O 9341804 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COc1ccc2nnc(CCCC(=O)N3CCCCCC3)n2n1 72406094 WPWNZEUWQJBAOG-UHFFFAOYSA-N 317.393 1.858 0 40 DDAB O=C1C[C@H](Cc2ccc(C(=O)Nc3ccccc3O)cc2)C(=O)N1 84506056 JXEICPSIFOYTLX-ZDUSSCGKSA-N 324.336 1.850 0 40 DDAB O=C(Cc1ccn(-c2ccccc2)n1)NC[C@]1(O)CCSC1 84576715 NLUUEMOJXWGYSI-MRXNPFEDSA-N 317.414 1.399 0 40 DDAB C[C@@H]1C[C@@H]1CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C 95350266 BFLQQFSRRQCSKV-PSASIEDQSA-N 300.362 1.525 0 40 DDAB CC[C@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 95349440 AJEZNQGREYJNLG-NEPJUHHUSA-N 310.419 1.630 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)NC[C@@H]3CCC[C@@H]3O)cc21 95441154 WNYXPZBZFUYBLO-BBRMVZONSA-N 324.446 1.508 0 40 DDAB O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2nsnc2c1 95468030 LXKXUQXBHLMYLT-SECBINFHSA-N 317.370 1.859 0 40 DDAB CCCCN(C(=O)Nc1nncs1)[C@@H]1CCS(=O)(=O)C1 95443107 OXTGRIPOMPQABK-SECBINFHSA-N 318.424 1.359 0 40 DDAB COCCNC(=O)C1CCN(Cc2cccc(OC)c2)CC1 25808765 PJRWVNDYCJBDTQ-UHFFFAOYSA-N 306.406 1.670 0 40 DDAB CCOC(=O)N1CCC(NCCc2cccc(C(N)=O)c2)CC1 75104047 ODDQDDDUHMDYLA-UHFFFAOYSA-N 319.405 1.539 0 40 DDAB CS[C@@H](C)CC(=O)OCC(=O)NC(=O)NCC(F)(F)F 89894584 SMUMOCRFGMXXNC-LURJTMIESA-N 316.301 1.059 0 40 DDAB CC[C@H](O)CN1CCC(NC(=O)Nc2nc(C)cs2)CC1 89943319 WBGWPIKPVZQNIE-LBPRGKRZSA-N 312.439 1.808 0 40 DDAB O=C(O)[C@@H]1CS[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1 62712252 FKZBGZZOOSFHGB-VHSXEESVSA-N 319.304 1.933 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)Nc1ccc(F)cc1F 30822270 XDXQCRHOUZRBMR-UHFFFAOYSA-N 304.256 1.413 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C1(n2cnnn2)CCCCC1 72406107 OCTYMJPARNVBPD-HZSPNIEDSA-N 301.394 1.661 0 40 DDAB CCc1ocnc1C(=O)NC[C@@H]1CN(C[C@@H](C)CC)CCO1 1035320649 RIEOJGMJGDJKCZ-QWHCGFSZSA-N 309.410 1.714 0 40 DDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cccnc1 536953914 LGFLSAWHYRTHHD-RYUDHWBXSA-N 310.350 1.571 0 40 DDAB CCCO[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 78671167 RHTUZUQRCOYPPA-HIFRSBDPSA-N 308.422 1.805 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2csc3c2CCCC3)CCO1 72379663 WVWOGTVHIUYREG-OAHLLOKOSA-N 308.403 1.343 0 40 DDAB Cc1nn(C[C@H]2N[C@@H](C(=O)O)CS2)c(C)c1Br 34926134 ZAYBVFKJMUWNCU-SFYZADRCSA-N 320.212 1.378 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 78701476 YSZKQPXVGXTUGO-CYBMUJFWSA-N 307.369 1.673 0 40 DDAB Cn1cc(C(=O)N2CC(c3nc(-c4cccs4)no3)C2)nn1 49484362 YRGACLCHXRCGAL-UHFFFAOYSA-N 316.346 1.166 0 40 DDAB C[C@@H](NC(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1cnn(C)c1 74473304 VIJLFHOZVWIAMV-BXUZGUMPSA-N 318.381 1.678 0 40 DDAB C[C@@H]1CN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)C[C@@H](C)O1 46089163 QJHCTZPGMCNRFF-NXEZZACHSA-N 306.366 1.018 0 40 DDAB Cc1ccc(CN(C)C(=O)Cn2c(=O)oc3cccnc32)o1 85264682 QSGABENKMCMQDO-UHFFFAOYSA-N 301.302 1.550 0 40 DDAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)[nH]1 223598186 OHAUEGIUXUTLAX-ZIAGYGMSSA-N 302.403 1.683 0 40 DDAB COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCOCC2)c1 82087212 CXSXHQLOEPPEFY-UHFFFAOYSA-N 319.766 1.148 0 40 DDAB CCCn1nc(-c2nnc3n2CCOC3)c2ccccc2c1=O 573982820 VJLFTZZDEIGQMI-UHFFFAOYSA-N 311.345 1.595 0 40 DDAB O=C(/C=C/c1cccs1)NCCCc1cnc2ncnn2c1 225641565 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1.210 0 40 DDAB Cc1ccc(NC[C@@H]2CCN(c3ccc4nnnn4n3)C2)nc1 97200953 VOFXDLPMFJSRLX-LBPRGKRZSA-N 310.365 1.161 0 40 DDAB O=S(=O)(c1cccnc1)N1CCN(C[C@@H]2CC=CCC2)CC1 96489864 ATIIKLUKYNHKSL-OAHLLOKOSA-N 321.446 1.744 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 96490222 PFDJZVKHHPVEHK-QMMMGPOBSA-N 322.839 1.555 0 40 DDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2OCCC[C@]2(COC)C1 96039206 GJMKDFMSLSTZQM-NVXWUHKLSA-N 321.421 1.869 0 40 DDAB C[C@@H]1CCN(c2cc(-n3cccn3)nc(N)n2)C[C@@H]1n1ccnc1 92921864 IKKNRFMAXVXZAR-OLZOCXBDSA-N 324.392 1.529 0 40 DDAB CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 96658931 KXQWFINRFKGQID-UHFFFAOYSA-N 319.386 1.543 0 40 DDAB CC(C)NC(=O)N1CCO[C@]2(CCCN(c3ccccn3)C2)C1 96226390 JNIAWHLRZBLMEG-KRWDZBQOSA-N 318.421 1.871 0 40 DDAB CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 248017505 LFZPAARIIQNTCW-ZDUSSCGKSA-N 311.403 1.564 0 40 DDAB CS(=O)(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247529935 OIWCALFLEIBNDU-LBPRGKRZSA-N 314.432 1.118 0 40 DDAB Cc1nnc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)s1 247996941 DIGISMVFAAQTQH-NSHDSACASA-N 319.390 1.453 0 40 DDAB COCC(=O)N1CC[C@H](Cc2ccc(-c3cc(C)n[nH]3)nc2)C1 257244630 IMDOAYGGLZKHDV-CQSZACIVSA-N 314.389 1.818 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cccc(-c3cc[nH]n3)n2)C1 257234975 GVVUZUZSPZHJED-NSHDSACASA-N 306.391 1.611 0 40 DDAB C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H](C)Cc1cccc(F)c1 253369460 CUTMREDOLHKNNQ-WWGRRREGSA-N 324.396 1.938 0 40 DDAB O=C(CC1CC1)N1CCC(c2cc(O)n3nccc3n2)CC1 257242508 ICWMRPYEVBXDSH-UHFFFAOYSA-N 300.362 1.941 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@H]1O 257300697 RVISQTZARKCMBF-JFIYKMOQSA-N 303.402 1.762 0 40 DDAB CCc1ccccc1NC(=O)CN1CC[C@H](O)[C@]2(CCCO2)C1 257231117 GFICZADCPICVCU-WMZOPIPTSA-N 318.417 1.803 0 40 DDAB COc1ccc(C(=O)N2C[C@H](OC)C[C@H]2c2ncn[nH]2)c(C)c1 286017744 ZZFUCYAAHYFBIL-OCCSQVGLSA-N 316.361 1.724 0 40 DDAB COCCc1cnc2n1CCN(Cc1cc(C)nn1C)[C@H]2C 585096923 CPQRAGONQAOLPQ-ZDUSSCGKSA-N 303.410 1.691 0 40 DDAB COCCN1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104385 LQANLTGJPBWANZ-KRWDZBQOSA-N 322.380 1.527 0 40 DDAB CO[C@@H]1CCN(Cc2ncccc2F)C[C@H]1CC(=O)N(C)C 585276497 KICLMSCMVHSWQY-IUODEOHRSA-N 309.385 1.536 0 40 DDAB CCCCn1nnnc1COc1ccc(CC(=O)OC)cc1 48277364 NHBYWTXPTYCMAB-UHFFFAOYSA-N 304.350 1.768 0 40 DDAB c1csc(CN2CCN(c3ccc4nncn4n3)CC2)c1 48262369 QHXJNUJDEORWCY-UHFFFAOYSA-N 300.391 1.508 0 40 DDAB C[C@@H]1NCCC[C@@H]1NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 1548561959 IBWVURWLVFRDFP-RVSPLBMKSA-N 301.390 1.826 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1c1ccc(F)cc1 72346834 ZYFOSDJPLGKMJK-NEPJUHHUSA-N 303.293 1.489 0 40 DDAB CCOCC(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104393 MEOZVXZQBDEMKI-UHFFFAOYSA-N 317.794 1.361 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 100018560 GFJJPJYMGSTRIF-BCUIYNNISA-N 303.289 1.192 0 40 DDAB c1cc(COc2ccc(OCCN3CCOCC3)cc2)no1 77239007 GIXLFSUTOYQJAW-UHFFFAOYSA-N 304.346 1.965 0 40 DDAB Cc1nc(CNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)n[nH]1 87317231 UFIADVAWOBQEQR-GFCCVEGCSA-N 307.398 1.157 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc(C)c1 6011600 UZDSIROWRQZNPV-IDVQTMNDSA-N 305.330 1.985 0 40 DDAB COc1cncc(O[C@@H]2CCN(C(=O)c3c(C)noc3C)C2)n1 225394949 OEVMJFBSSQNXMK-LLVKDONJSA-N 318.333 1.384 0 40 DDAB COc1cncc(O[C@H]2CCCN(C(=O)c3cc(C)on3)C2)n1 225498236 CFJWZVKTNMOAEH-NSHDSACASA-N 318.333 1.465 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)nn1 225437725 LSAZQDSQMCECBY-STQMWFEESA-N 303.362 1.821 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3cc(C)on3)C2)nn1 225461939 NLEMCWTWGIAEEE-LBPRGKRZSA-N 302.334 1.765 0 40 DDAB CC(C)NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864308 GIOIVHFFQIFOQR-ZDUSSCGKSA-N 309.435 1.526 0 40 DDAB Cc1ccc(OCC2CCN(C(=O)c3cnc[nH]3)CC2)nn1 1775985956 KUIYUIKUUSWLSG-UHFFFAOYSA-N 301.350 1.439 0 40 DDAB COc1ccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cc1F 2037984012 NGMKJOOMMJZQLE-ZFWWWQNUSA-N 322.380 1.513 0 40 DDAB CCCCNC(=O)c1nn(-c2ccccc2)c(=O)cc1OC 7455001 GAMYDPHHBOVUFV-UHFFFAOYSA-N 301.346 1.771 0 40 DDAB COCCC(=O)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055739260 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CC(C)(C)c1noc(CCC(=O)N2CCCn3ncnc32)n1 71839402 QPLVOMCYYLZSQI-UHFFFAOYSA-N 304.354 1.328 0 40 DDAB CNC(=O)CSc1nnc(C)n1-c1ccc(N(C)C)cc1 1332952 IPVHPMDGHMIVFQ-UHFFFAOYSA-N 305.407 1.480 0 40 DDAB Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H](C(N)=O)C2)cc1 32773977 DRCXEJNZBTWTFP-DZGCQCFKSA-N 303.406 1.197 0 40 DDAB Cn1cnc2c1CCN(C[C@H](O)c1ccc3c(c1)OCCO3)C2 71877067 PJFSUTSQZLTEGP-HNNXBMFYSA-N 315.373 1.283 0 40 DDAB CC1(C)NC(=S)N2O[C@]3(C[C@]21C)N(O)C(=S)NC3(C)C 499273 YDAFOEHJJGLTJA-RYUDHWBXSA-N 316.452 1.103 0 40 DDAB CC1(C)O[C@@H]2[C@H](O[C@@H]3[C@H](CN)O[C@H](c4ccccc4)O[C@@H]23)O1 4801897 WDJTYDGUYHVEBN-VRPMWHRCSA-N 307.346 1.304 0 40 DDAB Nc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1Cl 2617871 IZWSDOWFXDLDSH-JTQLQIEISA-N 312.753 1.374 0 40 DDAB CCN(CC)[C@H](C)CNC(=O)CCNC(=O)c1cccc(C)c1 32922974 VXQXUDDISBSWSG-OAHLLOKOSA-N 319.449 1.961 0 40 DDAB O=C(O)COc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 8906979 MFUJSYWVIKUWKE-CHWSQXEVSA-N 321.329 1.980 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCCN(c2nccs2)CC1 71830495 DEADUPKXTOWFFP-AWEZNQCLSA-N 316.430 1.882 0 40 DDAB Cc1c(=O)n(OCc2c(F)cccc2F)c2ccccc2[n+]1[O-] 547197 FVLXWTLIZCQAFT-UHFFFAOYSA-N 318.279 1.850 0 40 DDAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 100184879 KPRWGJNSDYUMCT-BQGCOEIASA-N 313.309 1.638 0 40 DDAB COCCN1CCC[C@H](NC(=O)N[C@H](C)c2c(C)noc2C)C1 75611863 YGIDRXAKFBBQRT-RISCZKNCSA-N 324.425 1.762 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)Nc1cccnc1 69902540 FSFVZGHOGLMSOZ-JKSUJKDBSA-N 316.405 1.495 0 40 DDAB C[C@H](NC(=O)CCn1cccn1)c1ccc2c(c1)NC(=O)CO2 47638695 TYIKIOVQUXCOHH-NSHDSACASA-N 314.345 1.482 0 40 DDAB O=S(=O)(NC[C@H]1CCCO1)c1ccccc1Br 23993603 WOYKRGLOPSDBCM-SECBINFHSA-N 320.208 1.906 0 40 DDAB COc1ccc(NC(=O)NC2CCN(C(C)=O)CC2)cc1OC 43267777 OYGREKXOUYECSZ-UHFFFAOYSA-N 321.377 1.836 0 40 DDAB NC(=O)c1cccc(CNC(=O)COc2cccc(F)c2)c1 25333149 QZPHSPSAMNYPOL-UHFFFAOYSA-N 302.305 1.620 0 40 DDAB CCn1cc(NC(=O)NCc2nnc3n2CCCCC3)cn1 43645682 YANZNHPATZHKCI-UHFFFAOYSA-N 303.370 1.543 0 40 DDAB CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccccc1 57355476 QFVIQCORGBJGDS-YQQAZPJKSA-N 316.401 1.891 0 40 DDAB CCCn1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CC)c1=O 57478828 DYAHYUUKIZGJSV-JTQLQIEISA-N 323.418 1.549 0 40 DDAB COc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1F 61997193 GCPXRVOCYDHNRY-UHFFFAOYSA-N 314.338 1.918 0 40 DDAB CCOC(=O)[C@@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 58004318 FIDZGIRJZRFLMK-LLVKDONJSA-N 321.402 1.858 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCO1 44864787 RPAGMASPMHOYAC-QWHCGFSZSA-N 306.362 1.266 0 40 DDAB Cc1nc(NC(=O)c2cnccn2)sc1-c1nccn1C 12629725 WRBKTLLCSXCWHO-UHFFFAOYSA-N 300.347 1.894 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3nncn32)cc1OC 44900545 RXCLUPFHTPSBTB-VIFPVBQESA-N 317.305 1.467 0 40 DDAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCNC(=O)C1 44959823 CGJHEZYBNYEDNV-CYBMUJFWSA-N 304.390 1.844 0 40 DDAB Cc1cccc(C)c1OCCNS(=O)(=O)c1cnn(C)c1 44944820 CQCXDKYTDACJQU-UHFFFAOYSA-N 309.391 1.394 0 40 DDAB CC[C@@](C)(CNCc1c(C)nn(C)c1N(C)C)N1CCOCC1 58393335 OMRLBZFACXLFIY-KRWDZBQOSA-N 323.485 1.385 0 40 DDAB Cc1noc([C@H](C)N2CCC(c3ccnn3CCO)CC2)n1 58308575 JZLWDNPSKIPUFZ-NSHDSACASA-N 305.382 1.507 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 28058231 DYCWJBQDVMYFOO-DTWKUNHWSA-N 319.404 1.333 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(OCC)c1 58401542 RXFUUQREZFIATR-NEPJUHHUSA-N 307.394 1.970 0 40 DDAB COCCN1C[C@H](C(=O)N[C@H]2CCOc3ccccc32)CC1=O 45288248 SZDIAGLOLQNXTP-OCCSQVGLSA-N 318.373 1.121 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2cccs2)CC1 36397579 GTVMLJTXZCIIMK-UHFFFAOYSA-N 316.448 1.221 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 48263341 XODCOKVFWWNGOF-KGLIPLIRSA-N 320.389 1.513 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12795298 NCJUOYPDVUTDGW-UHFFFAOYSA-N 323.443 1.962 0 40 DDAB COCCOc1ccc(CNC(=O)c2cnc(C)cn2)cn1 48392577 QDBCTVKBGAFVOA-UHFFFAOYSA-N 302.334 1.135 0 40 DDAB CN1CC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 8779748 VFFIIJLEAZIVPU-UHFFFAOYSA-N 316.361 1.119 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2)NC(=O)NC1 12846879 GDRBHJAIHCQRGD-UHFFFAOYSA-N 322.292 1.113 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1 3557899 FUAKZIPGHOMHEP-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCSCC1 49208896 OWBTXPYMQZWRSC-LLVKDONJSA-N 308.378 1.754 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cn1 49201004 KUZFDFWJOCPKQL-HNNXBMFYSA-N 301.390 1.655 0 40 DDAB COc1cc(C(=O)N2CCC(C(=O)O)CC2)cc2c1OCCO2 13425620 KCVFMROUFWLHII-UHFFFAOYSA-N 321.329 1.403 0 40 DDAB Cn1ncc2c(NC3CCCCC3)nc(N3CCOCC3)nc21 4374917 SWLDCANXSHXDAE-UHFFFAOYSA-N 316.409 1.945 0 40 DDAB O=S(=O)(NCCc1nccs1)N1CCc2ccccc2C1 65268242 UQVPNGKWPCBQIQ-UHFFFAOYSA-N 323.443 1.578 0 40 DDAB CCN(CC)S(=O)(=O)N1CCN(c2cccc(C)c2)CC1 65586982 FWKFAMAJJHVGDM-UHFFFAOYSA-N 311.451 1.704 0 40 DDAB CC(C)(C)CNS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21 65612126 XHMQFJVBJCXMOE-LBPRGKRZSA-N 317.432 1.481 0 40 DDAB NC(=O)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl 7291059 IHRFMRKZKHODOL-UHFFFAOYSA-N 318.760 1.987 0 40 DDAB CN(C)C(=O)N1CCC(C(=O)N(C)Cc2nccs2)CC1 80527966 KKXLBXYBXXDHIZ-UHFFFAOYSA-N 310.423 1.495 0 40 DDAB COc1ccc(C(=O)N2CCN(C)c3ccc(F)cc32)nn1 81074368 IJCXPLHVQGUHQA-UHFFFAOYSA-N 302.309 1.721 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccsc1 9498444 IOVLOOSOQYCYTD-UHFFFAOYSA-N 310.356 1.704 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1 70037047 VMEDGAYGFHYPRI-PMPSAXMXSA-N 313.405 1.801 0 40 DDAB COCCCNC(=O)CN(C)c1ccc(SC(C)C)nn1 69379837 QYZOBSJDIVRVRN-UHFFFAOYSA-N 312.439 1.566 0 40 DDAB Cc1cnc(CN2CCN(Cc3nccn3C)[C@H](C)C2)cn1 69491732 PYFMGTXBDPVWEF-CQSZACIVSA-N 300.410 1.225 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)C2 69464534 CMRVDZRLYKUCSZ-GJZGRUSLSA-N 317.437 1.583 0 40 DDAB COC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC(N)=O)c1 69569571 IEDNEIADDKPQPJ-CYBMUJFWSA-N 304.346 1.343 0 40 DDAB O=C(CNC(=O)c1ccc(F)c(F)c1)NO[C@@H]1CCCCO1 69600048 ISMUKGRZMCZLJJ-CYBMUJFWSA-N 314.288 1.269 0 40 DDAB C[C@@H](Cn1cccn1)NCC(=O)N[C@H]1CCOc2ccccc21 69740446 DXPKHUTWSJYKGD-ZFWWWQNUSA-N 314.389 1.501 0 40 DDAB CN1CCN(CCCCNC(=O)N(C)Cc2ccccc2)CC1 71803122 RNLQPBSOSRVMIK-UHFFFAOYSA-N 318.465 1.856 0 40 DDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCOCC2)n1 71831086 ICTYGXBAPTXXHY-UHFFFAOYSA-N 301.346 1.662 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(N)c3ccccc3n1)C2 71879609 GUWKHXXIBMSRJO-UHFFFAOYSA-N 309.377 1.382 0 40 DDAB CCOC(=O)CN(C)C(=O)c1ccc(-n2nc(C)cc2C)nc1 72230565 NNDYDEGLIMXDOE-UHFFFAOYSA-N 316.361 1.519 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3ccc4cc[nH]c4c3)C2=O)cn1 72287328 RUCASTPNIMVUDG-AWEZNQCLSA-N 323.356 1.437 0 40 DDAB COc1ccc(CN(C)C(=O)N[C@@H](C)Cn2cncn2)cc1C 72270914 OXSYBAQLNMUGLG-ZDUSSCGKSA-N 317.393 1.825 0 40 DDAB Cc1csc(C(C)(C)NCC(=O)N2CCC[C@@H](C(N)=O)C2)n1 78950112 DNIZRBLCEVCWAF-LLVKDONJSA-N 324.450 1.000 0 40 DDAB CCc1noc([C@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900264 RZIZVZMUTSOTOH-UWVGGRQHSA-N 318.381 1.395 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cncc(Cl)n2)CC1 72344274 ATNKSXYYHGMRDU-JTQLQIEISA-N 303.815 1.734 0 40 DDAB C[C@@]1([C@@H]2CCCN(Cc3ccc(F)cc3)C2)NC(=O)NC1=O 72300690 NXAQRBUPIIFNKM-WBMJQRKESA-N 305.353 1.636 0 40 DDAB COC(=O)CC1(CS(=O)(=O)NCCc2cccs2)CC1 72313144 PQLCUVQJLJBZQB-UHFFFAOYSA-N 317.432 1.553 0 40 DDAB Cc1noc([C@@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900644 VIQUZHTWPWDNDS-SCZZXKLOSA-N 304.354 1.141 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2noc(C)n2)cc1 97229138 SDELQNNGACQRTL-MRVPVSSYSA-N 309.347 1.620 0 40 DDAB O=C(CN(CCO)Cc1ccsc1)NCCc1cccs1 84442217 QTYLUCUVJWGMDV-UHFFFAOYSA-N 324.471 1.963 0 40 DDAB CCC(=O)N1CC[C@@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 79110888 OKCHWEDJOXPYPA-GDBMZVCRSA-N 316.401 1.818 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)NC2CC2)c1 22620658 YVJIIXISLCZHSD-CYBMUJFWSA-N 324.402 1.036 0 40 DDAB O=C(NC1CC=CC1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 95997824 ANCYEVQRKIZJSO-STQMWFEESA-N 304.371 1.525 0 40 DDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 95976847 LPRKIXOHWVWQPS-IMJJTQAJSA-N 316.401 1.494 0 40 DDAB CC(=O)c1ccc(O[C@@H](C)C(=O)NCCCn2cncn2)cc1 89478662 OIMDINVNUXYSJB-ZDUSSCGKSA-N 316.361 1.455 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(C)C[C@@H]1C 89562865 JZEOKAHIPMNHLK-JTQLQIEISA-N 317.418 1.685 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)c1ccccc1F 89512239 KUJQRFPHDRDBDG-AWEZNQCLSA-N 321.352 1.405 0 40 DDAB Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccco2)C1 89756775 VIBPOMOETPUWPP-JSGCOSHPSA-N 318.377 1.668 0 40 DDAB O=C(NCCc1ccc(Cl)s1)N1CCS(=O)(=O)CC1 89800123 AJOFEHFTJIPFHN-UHFFFAOYSA-N 322.839 1.384 0 40 DDAB CC(C)c1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)nn1C 89893333 GXVFKVUWEAGFMD-TZMCWYRMSA-N 309.435 1.890 0 40 DDAB CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@](C)(C(=O)O)C1 71979591 IAFDTQBWFLYJHN-OAHLLOKOSA-N 306.318 1.668 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 72355359 IZNXAICYSZGMPL-GFCCVEGCSA-N 301.350 1.015 0 40 DDAB COc1cc(C(=O)NCCO)cc(Br)c1OC 33757358 WCVRRZFUWQXZMN-UHFFFAOYSA-N 304.140 1.188 0 40 DDAB CN1CCN(C(=O)c2csc(O)n2)C[C@H]1Cc1ccccc1 560834912 OTQWTELIOQNNDT-CYBMUJFWSA-N 317.414 1.848 0 40 DDAB CCOC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218088605 XOXMMNSDYLEMSJ-QLFBSQMISA-N 313.419 1.330 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nccnc2NC2CCCC2)C1 72364700 DRXHEIAMXZOSCG-GFCCVEGCSA-N 324.450 1.970 0 40 DDAB COc1cc(S(=O)(=O)N[C@@H]2C=CCCC2)ccc1C(=O)O 566617996 QJESVPFUSJBHCR-SNVBAGLBSA-N 311.359 1.780 0 40 DDAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CNCCCO 43741259 YVHMDUOTURLDTR-NVXWUHKLSA-N 317.433 1.101 0 40 DDAB Cc1cc(NC(=O)CCn2cnc(C3CCC3)cc2=O)no1 89705065 XSITUBYNWWBYHE-UHFFFAOYSA-N 302.334 1.836 0 40 DDAB CN(C)[C@@H](C(=O)NCc1ccc(O)nn1)c1ccc(Cl)cc1 571700163 OZGYNPHBFFZGPZ-CQSZACIVSA-N 320.780 1.755 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NC2(C3CCC3)CCC2)cn1 573541742 QOUUYBPHAAJEOW-UHFFFAOYSA-N 323.418 1.442 0 40 DDAB C[C@@H]1OCCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)[C@H]1C 190018998 UMHLBXARAFDABY-QWRGUYRKSA-N 301.346 1.742 0 40 DDAB O=C(CC1CC1)NCc1cn2c(n1)CN(CC1CCC1)CC2 96197424 FJRVVTUSFPPYDP-UHFFFAOYSA-N 302.422 1.915 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2C(=O)N(c3ccccc3)C[C@H]2C1 96053613 JHVBFFXHEUGSTE-TZMCWYRMSA-N 308.341 1.212 0 40 DDAB Cc1cc(F)ccc1NC(=O)Cn1cc(C(=O)O)ccc1=O 95470249 FHJMMMPIPNGDOS-UHFFFAOYSA-N 304.277 1.633 0 40 DDAB Cc1noc(C)c1NC(=O)C(=O)NC[C@H](C(C)C)N1CCCC1 96413483 OYCGFEHCLCURAW-CYBMUJFWSA-N 322.409 1.467 0 40 DDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C[C@H]2CCOC2)cs1 96184054 DAPCYYAOVCZVKH-YUELXQCFSA-N 321.446 1.663 0 40 DDAB COC(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H](C)n1cncn1 96405861 XVJDIHZDHXJUFN-LLVKDONJSA-N 314.345 1.605 0 40 DDAB CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CCCc2ccccc21 95451419 NSWPZKHUXGXPKZ-CQSZACIVSA-N 324.446 1.504 0 40 DDAB COc1c(CNc2cc(C(=O)N(C)C)ccn2)c(C)nn1C 97377822 FGTBNSHIVYBWDI-UHFFFAOYSA-N 303.366 1.446 0 40 DDAB Cn1cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)nn1 536427233 QAPADNVNFXNAEV-UHFFFAOYSA-N 323.404 1.980 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2cnc(C)cn2)O1 252550525 SPGYZFHWSSKCED-ASEORRQLSA-N 319.361 1.109 0 40 DDAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)cc1C 256045695 ANENSAYWZAYCSU-UHFFFAOYSA-N 315.377 1.334 0 40 DDAB Nc1cc(CC[C@@H]2CN(C(=O)c3ccccn3)CCO2)ccn1 257241061 HWKVQXWJESUPGH-CQSZACIVSA-N 312.373 1.533 0 40 DDAB Cc1cc(CC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)ccn1 257266726 MEEZGSKVQUKYBW-UHFFFAOYSA-N 312.373 1.568 0 40 DDAB CNc1cncc(C[C@H]2COCCN(Cc3cccnc3)C2)n1 257330147 XNBROEPCXVMGOQ-OAHLLOKOSA-N 313.405 1.604 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257255051 KFWOHQBNEDZSJE-CQSZACIVSA-N 301.394 1.906 0 40 DDAB COc1nc(OC)nc(N2CCC[C@H](Cc3ccccn3)C2)n1 257229774 FZLDUPPHEPGXHE-GFCCVEGCSA-N 315.377 1.743 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)COc2ccc(F)cc2)[C@H]1O 257289180 PXIZWTOOJCWGAD-IIAWOOMASA-N 311.353 1.591 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H]1c1ccn[nH]1)n1nnnc1C(C)(C)C 287078892 NEYFSHFFYGAZKE-JQWIXIFHSA-N 317.397 1.618 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)Cc1ccc(C)cc1 96025967 CFIHDRIBMTZIAX-ZDUSSCGKSA-N 303.449 1.528 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCC2)C1 575404983 QMQPTPPXAARSDC-XBFCOCLRSA-N 302.378 1.045 0 40 DDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNC2CC2)[C@@H](O)C1 585290965 YLWKWEGRDPNIBA-HOCLYGCPSA-N 324.808 1.030 0 40 DDAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)[C@@H]1C[C@H]1C)CC2 585111296 NFGDFFKVLXYAPV-DGCLKSJQSA-N 313.405 1.633 0 40 DDAB Cc1ccccc1CS(=O)(=O)N[C@H](C)CN1CCCC1=O 71897414 NDGLNIFAGWLNMH-CYBMUJFWSA-N 310.419 1.425 0 40 DDAB Cn1ccnc1CN1CCN(c2ncnc3ccsc23)CC1 69451497 SNMRVFQUGTWQGL-UHFFFAOYSA-N 314.418 1.747 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](N(C)C)C2)on1 1549676066 YQKAWJAWQQEGPD-OLZOCXBDSA-N 318.381 1.017 0 40 DDAB O=C(c1cncc(F)c1)N1CCC(Oc2nncs2)CC1 826630298 JFPRLOCVUXZYQF-UHFFFAOYSA-N 308.338 1.756 0 40 DDAB CS(=O)(=O)c1cc(I)ccc1F 604221564 KGWUHQORYZUPGD-UHFFFAOYSA-N 300.092 1.834 0 40 DDAB CN1C[C@@H](C(=O)N2CCOCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595931 TYPWBYKDYRQTIV-YCPHGPKFSA-N 320.364 1.296 0 40 DDAB NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OCO2 5060921 AWAWZAROLUEMGA-UHFFFAOYSA-N 314.297 1.532 0 40 DDAB COc1ccc2ncc(NC(=O)N3CCC(O)CC3)c(O)c2n1 12222662 WULXHCCZUCZPCD-UHFFFAOYSA-N 318.333 1.333 0 40 DDAB COc1cccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 12982548 ZHDQXCFYBDVWGA-CZUORRHYSA-N 320.414 1.765 0 40 DDAB O=C(c1cc(F)ccc1F)N1CCN(c2ncccn2)CC1 16494604 BYJAINIEBJKZPB-UHFFFAOYSA-N 304.300 1.717 0 40 DDAB CCC(=O)N1CCC[C@H]1c1nc2c(c(NC)n1)CCN(C)C2 19708094 DWMSUQGKDHKWGO-ZDUSSCGKSA-N 303.410 1.580 0 40 DDAB C[C@@H]1C(=O)N(C[C@@H](O)C(F)(F)F)C(=O)N1c1ccc(F)cc1 158024149 ICGVUAONGCNTDM-GMSGAONNSA-N 320.242 1.906 0 40 DDAB Cc1cccc(C)c1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22584970 BOOXIACHMNQHOE-AWEZNQCLSA-N 319.405 1.333 0 40 DDAB CS(=O)(=O)N(CC(=O)NCC1CC1)c1cccc(Cl)c1 27464943 HDUDDILHNCCVAY-UHFFFAOYSA-N 316.810 1.632 0 40 DDAB CCOc1ccc(-n2cc(C(=O)N3CCC(N)CC3)nn2)cc1 1775985920 IPSPSXADDHARKG-UHFFFAOYSA-N 315.377 1.229 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 40493262 UIEXEINXYIWWNU-QMMMGPOBSA-N 313.297 1.898 0 40 DDAB Cc1cnccc1CN1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037980802 JCBITMAEZWXSBO-GOSISDBHSA-N 317.433 1.849 0 40 DDAB COc1cc(=O)n2c(c1C(=O)NCCc1cccnc1)CCC2 253394143 AKVIFLIBYLUOSG-UHFFFAOYSA-N 313.357 1.171 0 40 DDAB CCc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)s1 253473269 TXUHVPAYPOBBTB-UHFFFAOYSA-N 324.431 1.586 0 40 DDAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 4108337 NRKXAVULMYQWDF-SZOQZIPDSA-N 320.341 1.072 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 4941935 DJSBSLUTUOPQJB-UHFFFAOYSA-N 312.376 1.000 0 40 DDAB O=C(NCc1ccco1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5351437 UDXMAXODIBGKCX-CYBMUJFWSA-N 322.361 1.088 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)c1cscn1)CC2 2055734679 LEQAMXZZFRPMJO-SECBINFHSA-N 306.391 1.480 0 40 DDAB COC1(CC(=O)N2CC[C@]3(C2)Cn2ccnc2CN3C)CCC1 2055781625 XUBJMSSRBXFCOS-MRXNPFEDSA-N 318.421 1.259 0 40 DDAB CC[C@@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)n1 75163751 WNAKJVVGTZXTJB-MRVPVSSYSA-N 324.182 1.953 0 40 DDAB Cc1cc(S(=O)(=O)N2CC[C@H](N)C2)ccc1Br 50242034 RQKPLWGOEMNPMW-VIFPVBQESA-N 319.224 1.479 0 40 DDAB COc1ncccc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 40541677 KMEZXPDYZVARGD-QMMMGPOBSA-N 317.267 1.440 0 40 DDAB CC(=O)c1c(C)cc(C)c(CN2CCO[C@H](C(N)=O)C2)c1C 51131704 HNKDPUYLFXBUIL-HNNXBMFYSA-N 304.390 1.501 0 40 DDAB CCn1cc(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cn1 20602544 LZJMJENEGFVKNL-UHFFFAOYSA-N 317.802 1.111 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc(NC(N)=O)cc1 69452375 APVXSLYTTXOSHJ-ZWNOBZJWSA-N 306.366 1.716 0 40 DDAB O=C(c1ccc(O)cc1)N1CCN(C(=O)C2CCOCC2)CC1 29688659 RYQPUCXDLXJBIA-UHFFFAOYSA-N 318.373 1.103 0 40 DDAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C1CC1 29860214 GKIYZNSBPHDBOV-GFCCVEGCSA-N 301.390 1.849 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 41128722 USNRCVDAHAGIEY-GFCCVEGCSA-N 314.345 1.003 0 40 DDAB COc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4280024 JUFOAWPHYZTOMH-KBPBESRZSA-N 322.361 1.246 0 40 DDAB CN(C)S(=O)(=O)c1cccc(-c2nnc3n2CCCCC3)c1 2656413 SUZGJHZXQOKUSS-UHFFFAOYSA-N 320.418 1.922 0 40 DDAB O=C(COC(=O)c1ccc(O)cc1O)NC(=O)c1ccccc1 6080927 VTLZZPUYOAZLQW-UHFFFAOYSA-N 315.281 1.211 0 40 DDAB C[C@]1(C(=O)Nc2nnn[nH]2)CC1(Br)Br 2770735 RJTWDTUNCTZTAO-RXMQYKEDSA-N 324.964 1.034 0 40 DDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCN(C)CC1 96014115 SYOKRXWDWKJOKY-KRWDZBQOSA-N 315.417 1.296 0 40 DDAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@@H](O)C1 32902700 ULFWDDHQDQHHLE-ZIAGYGMSSA-N 302.374 1.561 0 40 DDAB CC(C)C(=O)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119108 HMNGWVWRIVKJCK-CHWSQXEVSA-N 311.385 1.968 0 40 DDAB CN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1cccnc1 33146335 OGGDLKVKQJWNCO-UHFFFAOYSA-N 323.349 1.480 0 40 DDAB CCOC(=O)/C=C(\N)N1CCN(c2cccc(Cl)c2)CC1 100336630 IWWVFSNQFNIWEE-SDNWHVSQSA-N 309.797 1.825 0 40 DDAB O=C(NCc1cccnc1)c1coc(=O)c(Br)c1 521458 VYUZVESJNZUMPE-UHFFFAOYSA-N 309.119 1.727 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2nc(C)no2)CC1 53448280 WKVZZQRJFABHJM-ZDUSSCGKSA-N 306.366 1.095 0 40 DDAB O=C(NCc1ccncc1)[C@H]1CCN(c2ccc(F)cc2)C1=O 53759088 KSNUMCLFNGQUBK-OAHLLOKOSA-N 313.332 1.890 0 40 DDAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cccnc1Cl 37591747 SUEJAPSGBQTIOA-QMMMGPOBSA-N 306.771 1.609 0 40 DDAB in-vitro CN(C)CCN(C)c1nc(O)cc(-c2cc(C3CC3)n[nH]2)n1 100222364 UYTRRCXIIJKIMD-UHFFFAOYSA-N 302.382 1.448 0 40 DDAB CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N 1280724 FKKRXBNAEJBCQQ-UHFFFAOYSA-N 305.407 1.984 0 40 DDAB Cc1ncsc1/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1 114400109 SDEIKNWRVHSKQN-LUCSPQJISA-N 323.399 1.046 0 40 DDAB O=C(Nc1cccc(Cl)c1-n1cncn1)[C@H]1COCCO1 24924380 FNCHXLZUJFWTNH-LLVKDONJSA-N 308.725 1.275 0 40 DDAB O=C(c1ccco1)N1CCC(Nc2ncnc3[nH]ncc23)CC1 12556491 ROTRIUNDJFLBRD-UHFFFAOYSA-N 312.333 1.663 0 40 DDAB COCCN1CC[C@@]2(CCCN(Cc3cnn(C)c3)CC2)C1=O 108531367 UXZOPVSYHANUJS-KRWDZBQOSA-N 320.437 1.271 0 40 DDAB Cc1[nH]c2nc(NC(=O)c3cccs3)nn2c(=O)c1Cl 100650753 RSYFRCXJTGDZTE-UHFFFAOYSA-N 309.738 1.693 0 40 DDAB C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccco1 25459972 MHHGNTARGUGMME-NSHDSACASA-N 312.329 1.652 0 40 DDAB C[C@@H](NC(=O)NCCc1nc2ccccc2[nH]1)[C@@H]1CCCO1 26398654 NHUJHVIDYRRVTO-RISCZKNCSA-N 302.378 1.972 0 40 DDAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35374814 LDQIUPRDXQVZGC-LRDDRELGSA-N 315.417 1.264 0 40 DDAB Cc1ncc(CN2CCC3(CC2)CC(NS(C)(=O)=O)C3)cn1 108527687 WUZFTYJPSQIGHH-UHFFFAOYSA-N 324.450 1.079 0 40 DDAB COC(=O)c1ccc(NC(=O)NCCCn2cccn2)cc1 48005447 GCOSAQZQLPPSCE-UHFFFAOYSA-N 302.334 1.882 0 40 DDAB CSc1ncc(C(=O)O[C@H](C)C(N)=O)n1-c1ccccc1 12648180 WZAIHYXFQPMBFL-SECBINFHSA-N 305.359 1.625 0 40 DDAB Cc1csc(CNC(=O)NCc2ccnc(N(C)C)c2)n1 44952904 BKQVZKLEZMCGCC-UHFFFAOYSA-N 305.407 1.912 0 40 DDAB C[C@]12OC(=O)[C@@]1([C@H](O)[C@H]1C=CCCC1)NC(=O)[C@H]2CCCl 62236230 NGWSFRIPKNWYAO-BOVGIHKQSA-N 313.781 1.133 0 40 DDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 3327759 HGSWVPYYYFFHOW-KRWDZBQOSA-N 317.389 1.534 0 40 DDAB COc1cccc([C@@H](CNC(=O)[C@H](C)n2cncn2)N(C)C)c1 45195582 ABPLELGAKZMLLH-SWLSCSKDSA-N 317.393 1.267 0 40 DDAB CNC(=O)NC(=O)CCN1CCC[C@@H]1Cc1ccccc1OC 58525461 RQIKHHLYJXFZRK-CQSZACIVSA-N 319.405 1.548 0 40 DDAB O=C(NCc1ccnc(N2CCCCC2)c1)NCc1cc[nH]n1 48276904 NUYSRULCQLTFED-UHFFFAOYSA-N 314.393 1.794 0 40 DDAB O=C(O)CCN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 12785618 QASLOHVMVJDLSN-INIZCTEOSA-N 302.330 1.635 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)NCCCN1CCCC1 48375328 QRTNAKGLSPMCDW-UHFFFAOYSA-N 300.399 1.898 0 40 DDAB C[C@H](NC(=O)c1ccc(NC2CC2)nc1)C(=O)N1CCCCC1 69599936 VQVKSSPXSDKRML-LBPRGKRZSA-N 316.405 1.787 0 40 DDAB COc1ccc(OCC(=O)NCc2ccco2)c(C(=O)O)c1 13086375 GCVXDPYZNJZDMH-UHFFFAOYSA-N 305.286 1.682 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 69668385 WUQZTXMPZJGYMQ-AWEZNQCLSA-N 316.405 1.799 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 13260536 QBLFPYGLLAYREU-ZDUSSCGKSA-N 316.357 1.750 0 40 DDAB CCOc1nnc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)s1 69742817 YXLLAZYBWAPEAY-GFCCVEGCSA-N 323.422 1.343 0 40 DDAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000072 PPRYGILUHRCPMF-GFCCVEGCSA-N 315.373 1.101 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C 5222826 CQWGTDSWCUVABA-UHFFFAOYSA-N 305.334 1.347 0 40 DDAB C[C@H](NC(=O)NCC[C@@H]1CCCO1)C(=O)NCc1ccco1 65517203 BBAIVWUJKVVDGR-RYUDHWBXSA-N 309.366 1.153 0 40 DDAB O=C(CNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)N1CCCC1 65988058 FHRQFULFVBCZBE-DGKWVBSXSA-N 305.422 1.829 0 40 DDAB Cn1c(NC(=S)Nc2ccc(Cl)cc2)cc(=O)n(C)c1=O 20031295 ZWXAFNITUVDJNA-UHFFFAOYSA-N 324.793 1.546 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)CC2CCCCC2)cc1 6788380 GRVAEZBFZJUGDU-UHFFFAOYSA-N 324.446 1.963 0 40 DDAB CCN1C[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)CC1=O 67046582 VTWJNNVVJNKBLW-VXGBXAGGSA-N 307.419 1.718 0 40 DDAB O=c1[nH]ncc(N2CCN(c3ccc(F)cc3)CC2)c1Cl 15112023 ZAWIGSSITYJJBZ-UHFFFAOYSA-N 308.744 1.889 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408651506 CMQQBOKUNACDIX-FYGCWZCISA-N 315.325 1.609 0 40 DDAB Cc1ccc(C#N)c(N2CCC[C@@H](/C(O)=N/S(C)(=O)=O)C2)n1 80250929 LOAPLIXQVHHPJL-GFCCVEGCSA-N 322.390 1.394 0 40 DDAB CN(C)C(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8073795 HBZQSSAEXOHCQK-GFCCVEGCSA-N 303.391 1.930 0 40 DDAB C[C@@]1(c2ccccc2)CCCN(C(=O)CCNS(C)(=O)=O)C1 91381416 HPPMWUSUTJUTLV-MRXNPFEDSA-N 324.446 1.506 0 40 DDAB Cc1ccc(OCCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 69350149 WEIHCYYTZDWDGK-HNNXBMFYSA-N 311.403 1.457 0 40 DDAB C/C(=C\C(=O)Nc1cnn(CC(N)=O)c1)CCc1ccccc1 69457621 DVMOXTHPUKXLAN-UKTHLTGXSA-N 312.373 1.886 0 40 DDAB O=S1(=O)N[C@@H](Cc2ccc(O)cc2)[C@H](O)c2ccccc21 9575353 NOXJQVLKFXEKCM-DZGCQCFKSA-N 305.355 1.329 0 40 DDAB O=S1(=O)N[C@@H](Cc2ccc(O)cc2)[C@@H](O)c2ccccc21 9575352 NOXJQVLKFXEKCM-ZFWWWQNUSA-N 305.355 1.329 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cncn1 71833022 HQIZDVNAUDLLEB-NSHDSACASA-N 320.784 1.236 0 40 DDAB Cc1noc2ncc(C(=O)N3CCc4nnc(N)cc4C3)cc12 71860040 UBWDRAUJMSVADX-UHFFFAOYSA-N 310.317 1.102 0 40 DDAB CC(=O)NCCC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 71888220 NYFGUJQIZWMMFS-UHFFFAOYSA-N 318.402 1.902 0 40 DDAB CCc1cc2c(NC[C@@H](O)CN3CCCC3=O)ncnc2s1 71841020 OQGZEAPVHVWGOK-SNVBAGLBSA-N 320.418 1.649 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 71881775 OCKBUJPRHQWTPN-BBWFWOEESA-N 320.408 1.844 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NC1CCN(CCCOC)CC1 71847530 SEDQPAPZLZDOFK-MRXNPFEDSA-N 311.470 1.478 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1cnn(C)c1 72298358 LNFHIGQRCFJXDI-GDBMZVCRSA-N 303.410 1.638 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)CCCn2cccn2)no1 72299181 RBVXPCWYURWJRW-LBPRGKRZSA-N 303.366 1.972 0 40 DDAB O=C1C[C@@H](C(=O)N2CCc3cnccc32)CN1CC(F)(F)F 72288287 WOSIDOJRHJINFP-SNVBAGLBSA-N 313.279 1.382 0 40 DDAB Cc1noc([C@@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)n2)n1 78092262 WJOOVHRZBYNVAW-MRVPVSSYSA-N 316.296 1.589 0 40 DDAB CCOC(=O)C1(O)CCN(C(=O)Nc2ccccc2OC)CC1 72306151 UEKHLJBVJKHQLS-UHFFFAOYSA-N 322.361 1.617 0 40 DDAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)N1CCOCC1 78904035 UIFVJSCLRKEVIV-YCPHGPKFSA-N 324.446 1.830 0 40 DDAB C[C@@H](COc1cccc(F)c1)NC(=O)NCC[S@](C)=O 95398060 LVEVXQUVUKZLGO-WVDJIFEKSA-N 302.371 1.271 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCO)C2CC2)C1=O 84678106 ZRRRZRUUVWQKDD-LBPRGKRZSA-N 318.373 1.174 0 40 DDAB C[C@@H](C(=O)NCCS(N)(=O)=O)c1ccc2ccccc2c1 79055606 CFFLAVWPOXMXAH-LLVKDONJSA-N 306.387 1.348 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3[nH]cnc13)CC2 95400846 LJGAECYPWFDGTN-MNOVXSKESA-N 303.366 1.109 0 40 DDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1cccnc1 79192110 PANMSZWGDCNLRS-UHFFFAOYSA-N 310.313 1.444 0 40 DDAB biogenic CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 79112620 XZTUXHLVDJCFCL-LBPRGKRZSA-N 304.362 1.680 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[S@@](=O)C(C)(C)C1 88206034 QCZXRDUILUUKBF-PJJWTOGQSA-N 323.414 1.584 0 40 DDAB O=C(CCn1cccn1)N1CCN(c2nc3ccccc3[nH]2)CC1 95981845 LBLFGDQLHQETFA-UHFFFAOYSA-N 324.388 1.498 0 40 DDAB CN(CC(=O)O)[C@H](C(=O)O)c1c(C(=O)O)n(C)c2ccccc12 110045306 FSQNKBVJRHICDK-LBPRGKRZSA-N 320.301 1.019 0 40 DDAB CN(c1cccnc1N1CCCC1)S(=O)(=O)c1cccnc1 75094018 GWPLABUNEUSZSD-UHFFFAOYSA-N 318.402 1.902 0 40 DDAB Cn1cc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cn1 89755744 JIIPSNZDNPAMLG-ZWKOTPCHSA-N 312.417 1.505 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc3cnncc3c2)CC1 408979399 QJEPJHONDGTEDR-UHFFFAOYSA-N 314.345 1.544 0 40 DDAB Cc1nc(O)nc(O)c1CC(=O)NC(C)(C)c1ccccc1F 1548709397 XROVCHPYRRVJAM-UHFFFAOYSA-N 319.336 1.929 0 40 DDAB COc1cccc(C(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 408617478 ANMQZPWZGXPHIG-YZXKGSGOSA-N 323.348 1.889 0 40 DDAB COCCNc1nccnc1C[C@@H]1CCCN(C(C)=O)CC1 72364892 MBRULJCYOMTVAM-CQSZACIVSA-N 306.410 1.726 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)[C@@H]1C 529221717 HEEXFWILOUNLLX-XZUYRWCXSA-N 308.382 1.207 0 40 DDAB CCOC(=O)CCN[C@H](COCc1ccccc1)C(=O)OCC 31672636 UDNCYKSFVNMHKX-OAHLLOKOSA-N 323.389 1.678 0 40 DDAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cccn2C)C1 78337387 LYJGNUMQSVQNJF-VUCVNMQBSA-N 311.451 1.904 0 40 DDAB Cc1cccc(NC(=O)CSc2nnc3ncccn23)n1 35314800 BUNNSTINGWYZGW-UHFFFAOYSA-N 300.347 1.559 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1c(C)nn(C)c1C 72240457 NTONSSBRNSRILW-UHFFFAOYSA-N 317.437 1.978 0 40 DDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1ccncc1 79358767 VKUSASMGPUOWEE-CQSZACIVSA-N 314.345 1.987 0 40 DDAB CCS[C@@H]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 72535969 ZKNQYZKMRBDTOX-VXGBXAGGSA-N 309.435 1.801 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1cc(Br)cs1 48367942 LLWOUMJGFSICIU-LURJTMIESA-N 320.212 1.526 0 40 DDAB Cn1nc(C(=O)N2CCOCC2)cc1NC(=O)c1ccccc1 40761786 WZEJTGGTRCTHBQ-UHFFFAOYSA-N 314.345 1.145 0 40 DDAB CS(=O)(=O)N1CCCN(c2ccnc3c(F)cccc23)CC1 195578536 CCPHQFSTWAMFLG-UHFFFAOYSA-N 323.393 1.846 0 40 DDAB CCS(=O)(=O)c1ccccc1N1CCC[C@@H](CC(N)=O)C1 225520306 IQYDIAZOMYYUTA-LBPRGKRZSA-N 310.419 1.572 0 40 DDAB COc1ccc(NC(=O)COc2c(C)occc2=O)cc1OC 40268765 MFPHWCRHCJTJOQ-UHFFFAOYSA-N 319.313 1.983 0 40 DDAB Cc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n[nH]1 225489493 OUQNHYLXTZBYGS-UHFFFAOYSA-N 313.409 1.435 0 40 DDAB COc1cc(N2CCOCC2)nc(NC(=S)NC(C)C)n1 225887507 DDSBDLGGRKNTGY-UHFFFAOYSA-N 311.411 1.017 0 40 DDAB O=C(NCc1ccc(Br)cc1F)[C@]1(F)CCNC1 195543209 MOZDXMKDVZKWQX-LBPRGKRZSA-N 319.149 1.906 0 40 DDAB CCc1ncc(NC(=O)N2CC[C@H](CN3CCCC3)C2)cn1 95984865 UCMCJMCSQZWAAN-CYBMUJFWSA-N 303.410 1.989 0 40 DDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)N1CCCC1)C2 96219319 UREIVQCDROVEGA-FUHWJXTLSA-N 321.465 1.883 0 40 DDAB O=c1ccc2c(n1CC1CC1)CC[C@H](NC[C@H]1CCOC1)C2 96189749 XECIUKWWXBFOKR-ZBFHGGJFSA-N 302.418 1.742 0 40 DDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(c1ncccn1)CC2 96261236 RTWZDXKBVPMZJG-OAHLLOKOSA-N 323.400 1.857 0 40 DDAB CC1CCN(C[C@@H](O)CNC(=O)CCc2cccnc2)CC1 96407855 HFODYZMELQUDHR-INIZCTEOSA-N 305.422 1.223 0 40 DDAB C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(N)cc1Cl 97104504 PMKMTDXXRDZYMW-PELKAZGASA-N 304.799 1.519 0 40 DDAB COCC(=O)Nc1ccc2nc(NC(=O)COC)ccc2c1 95394290 VSPYTJGXAOPDFF-UHFFFAOYSA-N 303.318 1.405 0 40 DDAB COCC(=O)N1CC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1 257323582 WKZCHLZGICNCJH-LBPRGKRZSA-N 315.377 1.148 0 40 DDAB COc1ccc(CC(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)cc1 257320616 VXORQAMBMKOYFJ-HNNXBMFYSA-N 315.373 1.869 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cnccn1 257339082 ZACZNAFTSKGQCZ-LBPRGKRZSA-N 321.406 1.330 0 40 DDAB Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257249776 JJSDDGQHNFYHJI-HUUCEWRRSA-N 317.320 1.188 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257255998 KJRRFUKBMKRUKN-ZDUSSCGKSA-N 303.387 1.989 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1 257266769 MEMHKLDBYRNBLP-WBVHZDCISA-N 316.401 1.891 0 40 DDAB Cc1ccncc1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 607821972 ZAYRZIWTZOVKCR-HNNXBMFYSA-N 317.389 1.244 0 40 DDAB Cc1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)[nH]n1 257275579 NPYKODJHMHSLDK-LLVKDONJSA-N 321.406 1.314 0 40 DDAB CO[C@H]1CCN(C(=O)COc2cccnc2)C[C@@]12CCCO2 257232519 GLFRIIJAAHTZJA-HOCLYGCPSA-N 306.362 1.257 0 40 DDAB O=C(c1cccs1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257266642 MDVWRFQWZPYLAK-GFCCVEGCSA-N 319.386 1.718 0 40 DDAB CCOCC(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467373 AWEDONYCCYLFFB-HNNXBMFYSA-N 322.380 1.512 0 40 DDAB Cc1cc(C(=O)NCCn2ccnc2-c2ncccn2)c(C)o1 96121790 YNOYXLYKZHGJLJ-UHFFFAOYSA-N 311.345 1.980 0 40 DDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21 575403206 FSACSDMDTRZDAO-MUIFIZLQSA-N 316.401 1.025 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@H]12 585109000 LUOKLQDDNPBEPZ-RBSFLKMASA-N 320.364 1.580 0 40 DDAB CCN1CC[C@]2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O 585093215 JQKBSAAZBZGJIX-AWEZNQCLSA-N 324.331 1.196 0 40 DDAB CC1CC(C(=O)N2CCC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 585101004 SJOMUPFXNZZPCG-JMLCCBQJSA-N 321.465 1.435 0 40 DDAB COc1ccc(OC[C@@H](O)Cn2nnnc2C(C)(C)C)cc1 49998791 NSGFVUVEQVKRQD-NSHDSACASA-N 306.366 1.419 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(C)(C)C)c1 97238173 AGAFIAWKZUGTDE-GFCCVEGCSA-N 315.391 1.159 0 40 DDAB C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)N=c1cc2ccccn2[nH]1 516501610 ZZFIOHFJJMFDIB-UKRRQHHQSA-N 313.405 1.847 0 40 DDAB O=C(OC[C@H]1CCCCO1)[C@H]1CC(=O)N(Cc2ccccn2)C1 89883712 MYJIQPSNEOIJTH-DZGCQCFKSA-N 318.373 1.542 0 40 DDAB COCCN1CCCC[C@H]1c1ncc(C(=O)N(C)C)c(C)n1 19753704 MRNADJOZCLYGDQ-AWEZNQCLSA-N 306.410 1.660 0 40 DDAB CCOC(=O)c1c(O)c2c(C(F)(F)F)nccc2n(C)c1=O 168148032 KAHVHJVBSFLJRZ-UHFFFAOYSA-N 316.235 1.835 0 40 DDAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)[C@@H]1CCOC1 1888854015 SHJGBLRMXGHMFN-UKRRQHHQSA-N 301.346 1.058 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)CN(C)C(C)C)C2 1565542626 GIGDMCWLUXVBAD-CQSZACIVSA-N 308.426 1.315 0 40 DDAB CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 4139173 FCIXKOVTTYQLSC-UHFFFAOYSA-N 320.399 1.478 0 40 DDAB NC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1 5143133 QPQUBJPWTIUORI-UHFFFAOYSA-N 311.370 1.907 0 40 DDAB Cc1ccc(-n2nnnc2CNC(=O)Cc2cccs2)cc1 9570600 HWVBIKWBUCQXAA-UHFFFAOYSA-N 313.386 1.891 0 40 DDAB CCCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 10324743 UXTOMUIBAVSTNY-UHFFFAOYSA-N 307.375 1.599 0 40 DDAB CCCc1nnsc1C(=O)NCc1cnn2c1CCCC2 225610283 OXBYERGJEYCORO-UHFFFAOYSA-N 305.407 1.953 0 40 DDAB CCCN(CCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40461092 LTTVSLRSKKXKCB-UHFFFAOYSA-N 316.405 1.794 0 40 DDAB CCN1CCN(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 40527079 QGPVBRORLYDUSV-UHFFFAOYSA-N 310.785 1.608 0 40 DDAB CC[C@@H]1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O 218950 BPTVHLNLEXMJPQ-ZDUSSCGKSA-N 304.346 1.049 0 40 DDAB COC(=O)[C@@H](C)OC(=O)CSc1ncnc2sccc12 8340614 HUJBSOSXIDMFIV-SSDOTTSWSA-N 312.372 1.888 0 40 DDAB NC(=O)C1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 32656139 ANCNNQLCYODIJS-UHFFFAOYSA-N 310.781 1.833 0 40 DDAB CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1570253 BQVUABVGYYSDCJ-HIFRSBDPSA-N 317.389 1.653 0 40 DDAB endogenous,in-man CN(Cc1ccc2c(c1)OCCO2)Cc1nnnn1C1CC1 29974609 MBLLMDINBYULSL-UHFFFAOYSA-N 301.350 1.411 0 40 DDAB CC(=O)c1cccc(OS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 32770595 IGGJZXSVSPHLSK-UHFFFAOYSA-N 322.342 1.094 0 40 DDAB CC(=O)Nc1cccc(C(=O)NCCSc2nccn2C)c1 32748236 RKZQADJSCMZZLY-UHFFFAOYSA-N 318.402 1.901 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccccc1 4493272 TXVCPHBACWQZMK-UHFFFAOYSA-N 322.320 1.892 0 40 DDAB COc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 422483 DWKOSSZBYSOKBJ-UHFFFAOYSA-N 305.363 1.380 0 40 DDAB COc1ccc(CCNC(=S)N2CCCC[C@H]2C(N)=O)cc1 7735974 CEWLQMYLHLIRPX-AWEZNQCLSA-N 321.446 1.452 0 40 DDAB COCCN(C)c1nc(C2CCNCC2)cc2c1ncn2C 107491717 NCSCGGUTLSFASJ-UHFFFAOYSA-N 303.410 1.518 0 40 DDAB COC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F 76083641 DYCRAAKRTOVIAU-CPCISQLKSA-N 319.174 1.739 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2C2CCC2)CC1 102903562 PGBUPOBRQVOLNV-HNNXBMFYSA-N 322.453 1.171 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)[C@H]1C[C@@H]1c1ccccc1C 76020310 SJRWJDMABOPSCJ-KGLIPLIRSA-N 310.419 1.801 0 40 DDAB Cc1cccc(C(C)C)c1NC(=O)CN1CCS(=O)(=O)CC1 47196494 CFSVDLLTYSCFOO-UHFFFAOYSA-N 324.446 1.787 0 40 DDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CCOC1 41378750 GEMVDSWERXTTIF-WBVHZDCISA-N 318.417 1.523 0 40 DDAB COc1ccccc1CNC(=O)NCCC(=O)NC1CCCC1 53750814 AACZIPWLHBLMRT-UHFFFAOYSA-N 319.405 1.943 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCN(c2ccccn2)CC1 9227196 KVWKLFMOLSJWHT-UHFFFAOYSA-N 312.373 1.911 0 40 DDAB O=C(CSc1ccccc1)NC[C@@H]1CN2CCC[C@H]2CO1 61650802 NAWMPGOBUOJBNJ-UONOGXRCSA-N 306.431 1.758 0 40 DDAB Fc1cnc(N2CCC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)nc1 107228788 NRGPTCNDLNBXTP-TZMCWYRMSA-N 304.329 1.208 0 40 DDAB O=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 12504680 IEMGTWXFCBVWDG-JSGCOSHPSA-N 321.354 1.048 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COC2CCCCC2)C1 27533957 ODCLSMNDBFQLNF-HUUCEWRRSA-N 313.438 1.972 0 40 DDAB CCOCCO[C@H](C)C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 58162771 MTPOBAVJTJHSJT-WDEREUQCSA-N 321.377 1.475 0 40 DDAB C[C@@H](c1cccc2ccccc12)N1CCN(S(N)(=O)=O)CC1 58210842 SQNUCXPQVZCZKG-ZDUSSCGKSA-N 319.430 1.722 0 40 DDAB COc1ccc(NCN2C(=O)c3ccccc3S2(=O)=O)cc1 27023996 ILINLNNGJSFRPW-UHFFFAOYSA-N 318.354 1.909 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(N)=O)CC2)c1C 3368152 WGLXTRGFGZJEOU-UHFFFAOYSA-N 321.377 1.146 0 40 DDAB C[C@H](C(=O)NCc1ccc(N2CCCCC2)nc1)n1cncn1 44953167 CLKWDMSLGPPHNC-CYBMUJFWSA-N 314.393 1.541 0 40 DDAB CN1CCO[C@@H](CNC(=O)CCOc2cccc(Cl)c2)C1 58393766 AYQYEFHQKBONMR-AWEZNQCLSA-N 312.797 1.556 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC 27932511 RVIGPLNVOMRVIJ-SECBINFHSA-N 319.354 1.300 0 40 DDAB O=C([C@H]1CCCN1Cc1nc2ccccc2o1)N1CCOCC1 58439754 DZUIIVWLNSCGPV-CQSZACIVSA-N 315.373 1.651 0 40 DDAB CN(C)C1(CNC(=O)Cn2ccccc2=O)CCCCCC1 48275364 NYMZSVXZEPEJLB-UHFFFAOYSA-N 305.422 1.619 0 40 DDAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)NC1CC1 3508994 VZDUIOWALOMBBG-OAHLLOKOSA-N 319.357 1.680 0 40 DDAB O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCNCC1 38478370 VFGHUGDKTSBANT-OLZOCXBDSA-N 309.207 1.984 0 40 DDAB COc1ccccc1CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409378724 QWFZPBWHBXQMLP-UMPJEAMMSA-N 317.341 1.356 0 40 DDAB CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCCN2CCC[C@@H]2C1 69898686 GEKIBGYVOMZUFK-MSOLQXFVSA-N 315.461 1.856 0 40 DDAB O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccccc1F 69844115 AMJMQFPPDSMUAW-BBRMVZONSA-N 304.369 1.863 0 40 DDAB Cc1ccc(-c2nnn(Cc3cc(=O)n4ccsc4n3)n2)cc1 5036228 CDSVRRHLALFCQF-UHFFFAOYSA-N 324.369 1.766 0 40 DDAB COCCN1CCN(CC(=O)N(C2CCCC2)C2CC2)CC1 69981694 FLOWENQKYICCET-UHFFFAOYSA-N 309.454 1.184 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1 8705349 YXMCLOFCNZWXLH-LBPRGKRZSA-N 307.350 1.495 0 40 DDAB CC(=O)c1cccc(NC(=O)CSc2nncc(=O)[nH]2)c1 4386702 HDCCYNLPRMRWFT-UHFFFAOYSA-N 304.331 1.098 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCC1 6237512 JRMRZOLTILOUEQ-UHFFFAOYSA-N 312.391 1.684 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1N(C)C 65475372 SYAJCXOSLTYPIQ-UHFFFAOYSA-N 302.426 1.545 0 40 DDAB CCn1cnnc1C1CCN(C(=O)COCC(F)(F)F)CC1 65593991 DLFAWHRAMKYPFE-UHFFFAOYSA-N 320.315 1.583 0 40 DDAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)NC[C@@H]1CCCO1 8756539 GDDYWSQMKMCSRK-ONGXEEELSA-N 310.423 1.468 0 40 DDAB COc1ccccc1CCC(=O)OCC(=O)Nc1ccon1 14780238 VUNJEKIASFAAQB-UHFFFAOYSA-N 304.302 1.798 0 40 DDAB O=C1NC2=C(C(=O)N(CCCO)C2)[C@@H](c2ccc(Cl)cc2)N1 8878080 VQTKVJGBFXIELU-CYBMUJFWSA-N 321.764 1.173 0 40 DDAB CN(C)CCCNC[C@@H](O)CO[C@H]1CCCc2ccccc21 6936240 DBAGOYSKCLDZMW-AEFFLSMTSA-N 306.450 1.983 0 40 DDAB O=C(/C=C/c1ccco1)N1CCC2(CC1)NCCc1nc[nH]c12 8973251 JCGLCWHUQPYNNX-ONEGZZNKSA-N 312.373 1.680 0 40 DDAB Cn1nnc2cc(C(=O)NC3(C(=O)O)CCCCC3)ccc21 70017795 XQDOGDDFZXNPAS-UHFFFAOYSA-N 302.334 1.486 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cn1 69347285 PQPDGPCFIOBQJN-ZDUSSCGKSA-N 313.361 1.115 0 40 DDAB Cn1cc([C@H]2[C@@H](C(=O)O)CC(=O)N2Cc2ccsc2)cn1 71857705 NGEXPHIULZDTMM-AAEUAGOBSA-N 305.359 1.656 0 40 DDAB NC(=O)CC1CCN(C(=O)/C=C/c2cnc3ccccc3n2)CC1 71821012 YYROQCQXFLQAKB-AATRIKPKSA-N 324.384 1.757 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)[nH]1 19937451 YHMMRCQSAWIFTF-UHFFFAOYSA-N 301.302 1.297 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1csc(CCC(C)C)n1 71909522 HULPVNCRBUJEIN-OLZOCXBDSA-N 312.435 1.840 0 40 DDAB O=C(c1ccc(N2CCCC2)nn1)N1CC[C@]2(CCOC2)C1 97014176 QKGSZMIJWSTFDI-INIZCTEOSA-N 302.378 1.329 0 40 DDAB Cn1cc([C@@](C)(O)CNC2CCN(c3nccs3)CC2)cn1 97081052 JOEMQGDOTLXGOQ-HNNXBMFYSA-N 321.450 1.343 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)n3cccn3)C2)n1 72235422 XRQQETLCZUDJGG-BXUZGUMPSA-N 302.382 1.516 0 40 DDAB O=C(NCc1cn[nH]n1)Nc1nc(-c2ccccc2)ns1 78991781 CYFFTONDQMXWBR-UHFFFAOYSA-N 301.335 1.645 0 40 DDAB CC(C)N1C[C@@H](NC(=O)NCCOc2ccccc2)CC1=O 72293233 LYMHAMXBHAFXHC-ZDUSSCGKSA-N 305.378 1.374 0 40 DDAB CCc1cc(CNC(=O)CC2(N3CCOCC3)CCCC2)[nH]n1 78966198 FKNROQSZLIFVPL-UHFFFAOYSA-N 320.437 1.623 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ncccc2O)[nH]n1 78988146 DRUYTPCQIQFZGS-UHFFFAOYSA-N 312.333 1.780 0 40 DDAB COc1ccc(CN2C(=O)CC[C@H]2C(=O)O)c(OC)c1OC 62709484 DWJMZOVBIHDLJU-JTQLQIEISA-N 309.318 1.288 0 40 DDAB Cc1cc([C@H](NC(=O)CNS(C)(=O)=O)C(C)C)c(C)s1 95394988 LMBLKTXMCGMBAM-CYBMUJFWSA-N 318.464 1.727 0 40 DDAB Cc1cc(=O)c(C(=O)N[C@H](C)CC(=O)O)nn1-c1ccccc1 95425013 NEGLJEUIZXPZBO-SNVBAGLBSA-N 315.329 1.134 0 40 DDAB COc1cccc(N2CCN([C@@H]3C[C@H](C)OC3=O)C[C@H]2C)c1 95432492 PPIMEGUBIXLDBJ-DVOMOZLQSA-N 304.390 1.910 0 40 DDAB Cc1ccsc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 98010399 WWJQCOIQOINXTI-NSHDSACASA-N 304.375 1.325 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCOCC1CC1 88480308 ICSPGUZLFXZZII-CYBMUJFWSA-N 321.425 1.791 0 40 DDAB C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nnn[nH]1 95942101 YUVPOEVWIAAKRE-SSDOTTSWSA-N 314.176 1.969 0 40 DDAB Cc1cc(=O)c(C(=O)NCc2nnc(C(C)(C)C)s2)c[nH]1 89568445 KSSVMGSGTSQBIP-UHFFFAOYSA-N 306.391 1.762 0 40 DDAB Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)nnn1-c1ccccc1 89556373 FKFVZPALGAFOKO-ZIAGYGMSSA-N 314.389 1.809 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3sccc3C)CC2)no1 75134026 MPUSUEYDVVSXAM-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB O=S(=O)(c1cccc(F)c1F)N1CCCC2(C1)OCCO2 89768212 QUVTYLSNRBANSK-UHFFFAOYSA-N 319.329 1.492 0 40 DDAB COc1ncccc1CN1CC[C@@H]2[C@H]1CCN2CCN(C)C 306137809 RHBSKZYEZKBUBK-HZPDHXFCSA-N 304.438 1.300 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)NC(C)(C)C)cc1 35595022 DYXIZSZVSOKKHK-UHFFFAOYSA-N 320.393 1.473 0 40 DDAB CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2ccc(C)n2C)C(=O)O)C1 515311227 CSNLBEBTDFBRHJ-OUCADQQQSA-N 308.378 1.722 0 40 DDAB Cc1cc(N2CCN(C=O)CC2)ncc1[C@@H](O)c1ccccc1 72223684 WRNPIBRRXXHYEI-SFHVURJKSA-N 311.385 1.750 0 40 DDAB O=C(NCCc1ccncc1)[C@H](Cc1ccccc1)n1cnnn1 524735222 HRUXQPDMVQGDGZ-INIZCTEOSA-N 322.372 1.211 0 40 DDAB Cc1cc(-c2cncnc2[C@@H]2CCCN(S(C)(=O)=O)C2)on1 72334664 QBCTUOZHJCXICV-LLVKDONJSA-N 322.390 1.579 0 40 DDAB Cc1cc(N2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)ncn1 72367565 DCZDYJWUJFIPIY-CYBMUJFWSA-N 312.377 1.714 0 40 DDAB NC(=O)CN1CCO[C@H](COc2c(Cl)cccc2Cl)C1 217494912 JKQLELOFVBTQSK-VIFPVBQESA-N 319.188 1.558 0 40 DDAB NCC1(c2ccccc2)CCN(C(=O)N[C@@H]2CCCOC2)CC1 1553474362 LLGMGXDEQWAEMO-MRXNPFEDSA-N 317.433 1.868 0 40 DDAB CCOC(=O)CN1CCO[C@H](COc2ccccc2OC)C1 217490442 SNRDBZHWUANYJL-ZDUSSCGKSA-N 309.362 1.338 0 40 DDAB CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccoc1 124422287 GBOIFSKNYRCSIK-AAEUAGOBSA-N 310.419 1.884 0 40 DDAB COCC(=O)Nc1nn2c(-c3cccc(C)c3)nnc2s1 41076439 XWBRHCXNGOQVPZ-UHFFFAOYSA-N 303.347 1.746 0 40 DDAB COc1ccc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cc1F 41621873 PWUFLERXMWRRJW-GFCCVEGCSA-N 316.398 1.348 0 40 DDAB Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1c(C)noc1C 70635705 WQPHMMMAJXTRNY-JTQLQIEISA-N 316.404 1.673 0 40 DDAB COc1ccccc1S(=O)(=O)N(C)Cc1cnn(C)c1C 563506547 FERCWFJZCSKCSX-UHFFFAOYSA-N 309.391 1.558 0 40 DDAB COc1ccccc1CC1CCN(C[C@](C)(O)C(=O)O)CC1 568520587 HPFIAEMROVZCEY-KRWDZBQOSA-N 307.390 1.785 0 40 DDAB CN(Cc1ccnc(N)c1)[C@@H]1CCN(Cc2ccccc2)C1=O 193577413 XXMHGPVMSOWQJG-MRXNPFEDSA-N 310.401 1.897 0 40 DDAB CO[C@H](C)CS(=O)(=O)NC[C@H]1CCN(C)c2ccccc21 195127397 HEWPFLNMVCZKTF-CHWSQXEVSA-N 312.435 1.564 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](c3nccs3)C2)no1 97199757 HJXZNBXNJNKKSZ-QWRGUYRKSA-N 322.390 1.840 0 40 DDAB c1cc(CN2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)ccn1 96054380 MFVSKALONJDXCK-MSOLQXFVSA-N 316.449 1.062 0 40 DDAB CC(C)(C)OC(=O)N1CCc2nnc(Br)n2C1 95829774 NSJUWQHRMJTWTL-UHFFFAOYSA-N 303.160 1.791 0 40 DDAB CCCNC(=O)N1C[C@@H]2Oc3cc(F)ccc3C(=O)N(C)[C@@H]2C1 514288787 BTHZUSGCRDTLQR-OCCSQVGLSA-N 321.352 1.463 0 40 DDAB biogenic,in-vitro COC[C@@H](O)CNC(=O)c1cc(C)c(Br)cc1C 96489904 KRIZPIPHQZEBQV-JTQLQIEISA-N 316.195 1.803 0 40 DDAB C[C@@H]1CN(c2ccc(NC(=O)Cn3cccn3)cc2)CCO1 96413142 GEQHILBMBCQPFI-CYBMUJFWSA-N 300.362 1.747 0 40 DDAB COCC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 96199630 IWWRFPZMUPLOQB-CQSZACIVSA-N 302.374 1.298 0 40 DDAB C[C@H](C(=O)NCC(=O)Nc1cn[nH]c1)c1ccc(Cl)s1 95408452 ZZNRSCXMWCICIM-ZETCQYMHSA-N 312.782 1.983 0 40 DDAB CCN(C)c1ccnc([C@@H]2COCCN2C(=O)C2=CCCC2)n1 96217752 VYYHXRQUOAQEQK-AWEZNQCLSA-N 316.405 1.943 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H](C)C1 248814582 ACRJSZSXUDYHHX-STQMWFEESA-N 301.390 1.695 0 40 DDAB CN(C)c1ncc(C(=O)N2CCNC[C@@H]2c2ccccc2)cn1 257265477 LYUPYJHQRCLWMP-OAHLLOKOSA-N 311.389 1.329 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 257295038 QWRHETXGJYOLJX-CYBMUJFWSA-N 320.418 1.692 0 40 DDAB Cc1noc(C)c1CC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257270832 MVVKMEUMKKWZES-GJZGRUSLSA-N 318.377 1.255 0 40 DDAB CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2ccn[nH]2)cc1 257282284 OTDGWUQRFAILQV-HNNXBMFYSA-N 321.402 1.387 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)c(O)n1 257293072 QNZVJFNXKBYXQI-LBPRGKRZSA-N 300.362 1.767 0 40 DDAB O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CNCCO1 257268473 MLVORXRRUMSCHE-GOSISDBHSA-N 311.385 1.299 0 40 DDAB O=C(CN1CCOCC1)N1CCC[C@H]1CCc1ccncc1 257332776 XYPDGHCIXRIVJJ-INIZCTEOSA-N 303.406 1.337 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](n3nccn3)C2)cc1 253471843 FZZXSTFJBRVPRT-USYSOWRXSA-N 318.402 1.834 0 40 DDAB CN1c2ccccc2N(CC(=O)NCc2ccco2)S1(=O)=O 253471526 DAISJHTVVQCCHL-UHFFFAOYSA-N 321.358 1.097 0 40 DDAB CC(C)n1cnnc1CNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 272182891 DCPGUAFABNOBRC-SNVBAGLBSA-N 320.401 1.020 0 40 DDAB O=C(NCCOCCn1cccn1)c1ccc2nsnc2c1 575618623 DMKXCUWSXTZTPW-UHFFFAOYSA-N 317.374 1.334 0 40 DDAB Cc1ccc(F)cc1C(=O)N1CCn2c(nnc2C(C)(C)O)C1 585141454 UYABLGVTYCFIIJ-UHFFFAOYSA-N 318.352 1.609 0 40 DDAB Cc1nc(C2CC2)ccc1C(=O)NCc1nc(C(N)=O)co1 585113309 FKEYZDAFAIYOLO-UHFFFAOYSA-N 300.318 1.284 0 40 DDAB O=C(CNC(=O)N1CCc2ccccc2C1)NCc1ccco1 54092412 JWKHZKPBGVCTNI-UHFFFAOYSA-N 313.357 1.664 0 40 DDAB Cn1ncc2c1CCC[C@H]2NCc1cnc(N2CCCC2)nc1 48711657 YLYUCIWVSLYWOA-OAHLLOKOSA-N 312.421 1.978 0 40 DDAB NC(=O)CC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 49394683 HMOAPERCHKEFPT-UHFFFAOYSA-N 304.365 1.971 0 40 DDAB COc1cc2c(cc1OC)CN(Cc1nnc(C)n1C)CC2 51315222 YKMWDLYWPJLBQK-UHFFFAOYSA-N 302.378 1.699 0 40 DDAB CC(C)N(CCNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)C(C)C 55291420 GKPBOUBJULFAOC-OKILXGFUSA-N 321.487 1.049 0 40 DDAB CC(C)(NC(=O)CCc1ccccc1Br)C(N)=O 57050745 XRMNMPZZURFJNX-UHFFFAOYSA-N 313.195 1.762 0 40 DDAB C[C@@]1(NC(=O)c2cc3c(s2)CCCC3)CCS(=O)(=O)C1 69294428 WSXJOURLABYBLE-CQSZACIVSA-N 313.444 1.934 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(C(=O)C3CCOCC3)C2)nn1 72387375 SYRCJFNIXWANBE-ZDUSSCGKSA-N 318.421 1.726 0 40 DDAB CCC[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O 1575976 LDWKLEOJLPWEIE-WCQYABFASA-N 322.361 1.671 0 40 DDAB CC(C)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1 5399359 NVYSCTUWEBPOGV-GBJTYRQASA-N 306.362 1.459 0 40 DDAB biogenic,in-vitro CCOc1ccc(CN(CC)CC(=O)NC(=O)NC)cc1OC 14898173 DZGKQJUVBHNITO-UHFFFAOYSA-N 323.393 1.371 0 40 DDAB CCn1cc(CN2CCN(C[C@@H](O)c3cccs3)CC2)cn1 19524975 BUYWNEMUMFSWOG-OAHLLOKOSA-N 320.462 1.816 0 40 DDAB COC(C)(C)C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1 19710235 KOYFKYWZPWVVFV-UHFFFAOYSA-N 322.453 1.613 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)s1 19901595 FRMHXEBMWBVIHT-UHFFFAOYSA-N 310.828 1.012 0 40 DDAB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc2c(c1)OCO2 28088299 RDRGWQUQKPLXQZ-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB O=C(Nc1ccccc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29507170 IFLHLHIKDXZDOA-UHFFFAOYSA-N 322.324 1.672 0 40 DDAB COc1cccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)c1 2037980756 HMLANNYLMAZIKW-SFHVURJKSA-N 318.417 1.909 0 40 DDAB CCCN1CC2=C(C1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2 4854685 ZVYBWUZBKPPATP-CYBMUJFWSA-N 316.317 1.455 0 40 DDAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1C[C@@H]1CCOC1 2298053039 JASQFZRRKMCZGB-NSHDSACASA-N 306.749 1.689 0 40 DDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 2250497 RZFGFHPLEXIWLX-UHFFFAOYSA-N 313.313 1.123 0 40 DDAB O=C(NNC(=O)c1cnn(-c2ccccc2)c1)c1cccnc1 15544888 JMPGZPBAKPCGKI-UHFFFAOYSA-N 307.313 1.342 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N2CCCc3ccccc32)c[nH]1 20002973 DHZBWSDOJUFCEL-UHFFFAOYSA-N 306.343 1.854 0 40 DDAB CN(Cc1ccco1)C(=O)c1cccnc1N1CCOCC1 30921589 DERYFUQXSMVYOR-UHFFFAOYSA-N 301.346 1.783 0 40 DDAB NC(=O)Cc1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1 40481059 WXZOYSGHMAROHI-JTQLQIEISA-N 317.370 1.361 0 40 DDAB CC(=O)c1csc(NC(=O)CCCN2C(=O)CCC2=O)n1 40536406 MVJNVSGYVPHQSR-UHFFFAOYSA-N 309.347 1.213 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)C1=Cc2cc(Cl)ccc2OC1 40521724 GQFNHPCJIHTJND-CYBMUJFWSA-N 320.776 1.901 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N(C[C@H]1CCOC1)C1CC1 40525008 JQUCCDUEDSHHBZ-GFCCVEGCSA-N 323.414 1.811 0 40 DDAB CCc1nnsc1C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OC 101177188 VZHLGKMODPXYLZ-UUTMEEIUSA-N 309.391 1.418 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCc1ccccc1 51999975 UDMVNYWBMUBEMM-CQSZACIVSA-N 317.433 1.273 0 40 DDAB COC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 128309 CPLHOEQQKOZHLN-UHFFFAOYSA-N 305.359 1.938 0 40 DDAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1cccs1 157850 AXXQLDMMYWLFRY-SNVBAGLBSA-N 311.384 1.866 0 40 DDAB O=C(O)CSC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O 174769 PBYDWVDWQXEJAI-JTQLQIEISA-N 310.400 1.090 0 40 DDAB Cc1ccc2nc(C)c(C(=O)N3CCN(CCO)CC3)cc2c1 75572191 SBOJYTMFIQPWRS-UHFFFAOYSA-N 313.401 1.602 0 40 DDAB CN1CCC(O)(Cn2cnc3cccc(Cl)c3c2=O)CC1 32541421 JVDPFFHFVVQAOO-UHFFFAOYSA-N 307.781 1.507 0 40 DDAB C[C@]1(NC(=O)Cc2ccccc2Cl)CCS(=O)(=O)C1 37077253 XHQANLMXHUXZBN-ZDUSSCGKSA-N 301.795 1.576 0 40 DDAB C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)c1ccccc1Br 37014601 XIMWALCPHCYWHE-AUTRQRHGSA-N 313.195 1.349 0 40 DDAB Cc1ccc(F)c(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 96494115 IUZAIXSHDFBPLL-NSHDSACASA-N 314.382 1.240 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C[C@H](O)COCc1ccco1 2624914 FLPFLGOYWKDQIH-ZDUSSCGKSA-N 312.410 1.394 0 40 DDAB CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7458452 PZPJGORHCCXPAW-JTQLQIEISA-N 319.336 1.909 0 40 DDAB CCOC(=O)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 490241 FGLIWCOCGVZVJH-UHFFFAOYSA-N 309.318 1.867 0 40 DDAB biogenic Cc1cncc(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2C(=O)NC(C)C)c1 106907806 JTHCIAIBGJNUEL-QEJZJMRPSA-N 301.390 1.908 0 40 DDAB Cc1cc(NC(=O)C(=O)NC2CC2)ccc1N1CCCC1=O 10220951 ZGKIOABLQIAFHP-UHFFFAOYSA-N 301.346 1.339 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N1CCC[C@@H]1Cn1cccn1 69893171 UINPYOUJKFKVEU-CHWSQXEVSA-N 300.366 1.165 0 40 DDAB COCCN1CCO[C@H]2CCN(c3ccc(C)nn3)CC[C@@H]21 107254892 LSNLBUKWRWLQGC-GJZGRUSLSA-N 306.410 1.101 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C2CC2)C1 69879875 YLZJUKNDZOEGNX-NEPJUHHUSA-N 311.426 1.500 0 40 DDAB CN(Cc1nc(N)nc(N)n1)Cc1csc2ccccc12 52805781 RVTXUDPECBCSGL-UHFFFAOYSA-N 300.391 1.883 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)c1cnns1)CC2 47415360 SITCPPUKZOCCEQ-UHFFFAOYSA-N 305.359 1.754 0 40 DDAB CCN1N=C(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)CC1=O 76017699 ZHMAPBFGMDEUHK-WFASDCNBSA-N 315.373 1.583 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1 9288356 LLYLMWFCGPKPKM-WDEREUQCSA-N 308.359 1.008 0 40 DDAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCC3CCC3)cc2)C1 53479110 AHOOPUDOQZTVFB-HNNXBMFYSA-N 315.417 1.918 0 40 DDAB Nc1nccnc1C(=O)N1CCN(Cc2ccsc2)CC1 22696792 YRFPDYOWYAMISJ-UHFFFAOYSA-N 303.391 1.078 0 40 DDAB O=C1N[C@@]2(CCSC2)C(=O)N1CCOc1ccccc1F 22844988 JEFKGAMIFHIEQH-CQSZACIVSA-N 310.350 1.632 0 40 DDAB COCCN1CCN(CC(=O)N(C)Cc2cccc(F)c2)CC1 54187829 KYNFQZXHYKLRLE-UHFFFAOYSA-N 323.412 1.048 0 40 DDAB Cc1ccc(CCC(=O)NCC(=O)NCc2nccn2C)cc1 78488554 BHHLHRLJODIPLI-UHFFFAOYSA-N 314.389 1.094 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3O2)no1 48000300 QORHGYBRYXGQPC-NSHDSACASA-N 301.302 1.041 0 40 DDAB COc1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cc1OC 42998226 GRWQGWVZZRJUJA-JTQLQIEISA-N 319.365 1.393 0 40 DDAB COCCNC(=O)CN(C)c1ncnc2c1oc1ccccc12 24341085 XHDXPZIBRVIOGL-UHFFFAOYSA-N 314.345 1.575 0 40 DDAB CCn1nc(C)c(CN(CCOC)C(=O)C2CCNCC2)c1C 55325646 ZGCKUIOVRIOZSZ-UHFFFAOYSA-N 322.453 1.494 0 40 DDAB O=C(NCCCn1cccn1)Nc1ccc(-n2cncn2)nc1 48132184 HBGCRMCEKIBSQR-UHFFFAOYSA-N 312.337 1.071 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](C(=O)O)C1 62118303 WOIRXAUXLVLBFH-JTQLQIEISA-N 311.359 1.027 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)on1 56960275 RCGXNTPEWZLWNM-JTQLQIEISA-N 323.374 1.846 0 40 DDAB C[C@H](NC(=O)CN1CCCN(C(N)=O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 108078197 ZQXOFQXMVQZLOE-AJNGGQMLSA-N 322.453 1.014 0 40 DDAB CN(C)[C@H](CN1C(=O)c2ccccc2S1(=O)=O)c1ccco1 44644634 SJJDPSUVAOWMST-GFCCVEGCSA-N 320.370 1.727 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 48263337 XODCOKVFWWNGOF-ZIAGYGMSSA-N 320.389 1.513 0 40 DDAB CCCNC(=O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C 25391730 GODUYPRADWSCHS-UHFFFAOYSA-N 317.393 1.577 0 40 DDAB C[C@@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)[C@H](C)CO1 44909611 AJBOWSRHQSTILO-CHWSQXEVSA-N 317.389 1.366 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)no1 44971298 PDMDNDPQNVBDAE-BNOWGMLFSA-N 324.425 1.622 0 40 DDAB Cc1ccc(OC[C@@H](C)NC(=O)Cn2cccnc2=O)cc1 58343312 MKKTVDCBVBCWLJ-CYBMUJFWSA-N 301.346 1.135 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@H](C)O1 28655543 RZJOHTRMZSMPCB-QWRGUYRKSA-N 310.781 1.706 0 40 DDAB COC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 12847317 UMYNQVOVZFIVBS-UHFFFAOYSA-N 300.314 1.691 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 3448408 YHBUJLSGHSFENV-LBPRGKRZSA-N 322.430 1.999 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594682 LBLIUMMEUVJXBN-QGZVFWFLSA-N 315.373 1.296 0 40 DDAB C[C@H]1OC2(O[C@@H]1C)C(=O)N([C@@H]1CCOC1=O)c1ccccc12 4105306 GUNWZWMWZLWNSC-GIPNMCIBSA-N 303.314 1.325 0 40 DDAB Nc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n[nH]1 13684002 HMVLXPMCBGVURR-LLVKDONJSA-N 303.391 1.673 0 40 DDAB Cc1cccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)c1 65577774 CGJGGOFMXJIUCX-UHFFFAOYSA-N 308.403 1.427 0 40 DDAB O=C(NCCc1nnc2n1CCC2)C1=Cc2ccccc2OC1 65565106 BTOQMHJNONINKO-UHFFFAOYSA-N 310.357 1.359 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NCCc1nnc2n1CCCCC2 65517093 YHYFMMVUDBUSPT-CQSZACIVSA-N 319.453 1.538 0 40 DDAB O=C(CCC(=O)NC[C@H]1CCCO1)NCc1ccc(F)cc1 4548677 VEKGZIXLNPKZJP-CQSZACIVSA-N 308.353 1.517 0 40 DDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc[nH]1 6589080 AGLIYPHLLFABHT-GOSISDBHSA-N 323.352 1.981 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 6506994 NYIZWUCXVMFGLS-UHFFFAOYSA-N 308.345 1.315 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCNC2)C1 19421980 IMRAFYPVKALUBJ-QWHCGFSZSA-N 311.426 1.502 0 40 DDAB in-vitro CC[C@H](C)NC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccccc1 67245506 WJLSAFSLXGVYKF-JTQLQIEISA-N 322.390 1.739 0 40 DDAB Cc1c(Br)cccc1CS(=O)(=O)c1cn[nH]n1 90085329 YBOUYYKGFFAORJ-UHFFFAOYSA-N 316.180 1.850 0 40 DDAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)NS(C)(=O)=O)cc1 67840915 LVPWPHZFAWNDKQ-JSGCOSHPSA-N 310.419 1.596 0 40 DDAB CO[C@H](CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(C)C 80602739 CWCMZOSXGQMXHI-ZIAGYGMSSA-N 310.398 1.855 0 40 DDAB NC(=O)[C@H]1CC(C(=O)OCc2ccccn2)=NN1c1ccccc1 71854548 UUAFBVHUMCRHHK-OAHLLOKOSA-N 324.340 1.245 0 40 DDAB CN1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC=CCC2)CC1 71885851 UOXVVGKYBVOXKC-IRXDYDNUSA-N 305.466 1.971 0 40 DDAB CS[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 69492711 SNQNMTWBHJIIHS-FZMZJTMJSA-N 306.431 1.744 0 40 DDAB Cc1nnc2n1CCN(C(=O)COCCOc1ccccc1)C2 69454722 GAUZVJJFZSMDNU-UHFFFAOYSA-N 316.361 1.024 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCCc2nc3ccccc3o2)C1 71815200 VFTWOOMEQGEHDK-LLVKDONJSA-N 301.346 1.484 0 40 DDAB CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(OC)cc1 9754110 KGPPJWBLVARAEZ-ZDUSSCGKSA-N 310.419 1.683 0 40 DDAB Cc1cnc2c(S(=O)(=O)N3CCN(C)CC3)cccc2c1 84129523 IVDBIMQEKBEZPY-UHFFFAOYSA-N 305.403 1.479 0 40 DDAB CN1CCCN(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1 97052244 HNVNIQZICOQHRW-UHFFFAOYSA-N 316.405 1.484 0 40 DDAB O=C(NCCc1ccsc1)NC[C@@H]1CC(=O)N(C2CC2)C1 97058138 OTWIFZBUEOLUFD-LBPRGKRZSA-N 307.419 1.601 0 40 DDAB CC[C@H](OC)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 72273955 ZUIFWASGMZMXPM-HNNXBMFYSA-N 309.385 1.941 0 40 DDAB Cc1noc(C)c1CNc1cc(N2CCC[C@@H]2CO)ncn1 72276189 LVTKAFIVXIGRQS-GFCCVEGCSA-N 303.366 1.655 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccco1)CC2 72295902 QXEQBUCLPSVTFO-UHFFFAOYSA-N 320.370 1.781 0 40 DDAB Cc1nn(C)c2sc(C(=O)NCCc3cncn3C)cc12 97108839 JSXQMXCOYHAIRO-UHFFFAOYSA-N 303.391 1.649 0 40 DDAB COc1cccc(CNC(=O)Cn2cccc2C=O)c1OC 72331913 WNPIOBKSIKJSNW-UHFFFAOYSA-N 302.330 1.634 0 40 DDAB CCn1c(CN2CCN(CCOC)C(=O)C2)nc2ccccc21 97235617 XZRQBYAVODIRTP-UHFFFAOYSA-N 316.405 1.347 0 40 DDAB O=C1NCCN(C(=O)c2ccc(F)nc2)[C@@H]1c1cccs1 72528447 GADXYNUZFBZZRZ-GFCCVEGCSA-N 305.334 1.596 0 40 DDAB CN1CC[C@@H](NS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 95437354 PKCUWVINZAQZSN-NEPJUHHUSA-N 306.790 1.774 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)c2ccc3cncn3c2C)C1 95465222 MQJFWTTUAJNRCP-LBPRGKRZSA-N 300.362 1.241 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)Nc1nc(C(C)(C)C)cs1 95955363 HPJCQFUKBUYXTM-SSDOTTSWSA-N 305.425 1.317 0 40 DDAB COc1ccc(S(=O)(=O)NCCN(C)C)c2ccccc12 89314351 CTNPZYAEJDRVPW-UHFFFAOYSA-N 308.403 1.688 0 40 DDAB CNS(=O)(=O)c1cccc([C@@H](C)NCCn2cccn2)c1 89514720 BTBDRNIRWYXVTO-GFCCVEGCSA-N 308.407 1.142 0 40 DDAB CCCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cnn1C 75111085 ZCUZCYHEQFUKPD-UHFFFAOYSA-N 302.378 1.608 0 40 DDAB Cc1nn(C)cc1C(=O)NCCc1nnc(-c2ccccc2)n1C 547750405 IBVAFPQODBJATM-UHFFFAOYSA-N 324.388 1.497 0 40 DDAB O=C(O)c1ccc(CN2CCOCC2)c(Br)c1 39951947 NAFOOTGPWNROEG-UHFFFAOYSA-N 300.152 1.980 0 40 DDAB Cc1csc([C@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1 65473671 RNUBIJVBHSIPJC-LLVKDONJSA-N 322.390 1.760 0 40 DDAB Cn1cnnc1CN1C[C@H](COc2ccccc2)OC(C)(C)C1 517765088 USTDSUUEXDOEJQ-OAHLLOKOSA-N 316.405 1.874 0 40 DDAB CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(CO)C(=O)O)cc1 218439073 WNXKHNGVJWFHIZ-YDHLFZDLSA-N 312.387 1.213 0 40 DDAB COc1ccc(-c2ccc(N3CCNCC3)nn2)cc1OC 70458895 REEUNSFBBYHNCR-UHFFFAOYSA-N 300.362 1.570 0 40 DDAB COC(=O)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1c1ccc(F)cc1 72346707 NNFVRPMTXFRSCK-OLZOCXBDSA-N 317.320 1.578 0 40 DDAB CO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2OCC3)C12CCC2 561457912 VIYUMGHPZIYWRX-ZIAGYGMSSA-N 323.414 1.857 0 40 DDAB CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(C)n3)C2)CC1 72386065 UKDCNGMECFDUCJ-HNNXBMFYSA-N 302.422 1.894 0 40 DDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)[C@@H]1CCOC1 78415499 YQVIMRUQKSVTEU-MLGOLLRUSA-N 307.346 1.150 0 40 DDAB O=C(NC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CCO1 72352793 QDMKZTFBWGJRDC-OAHLLOKOSA-N 308.353 1.326 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H](c3ccnc4nccn34)C2)cn1 72368550 KEIXEXTXLHFESQ-LBPRGKRZSA-N 310.361 1.483 0 40 DDAB CC(C)NC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)cn1 226752876 XMNMQORVASPKJB-UHFFFAOYSA-N 304.325 1.266 0 40 DDAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224215188 XHSYHCHVKNODCB-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB CN1CCC[C@](O)(CN2CCN(c3cccc(Cl)c3)CC2)C1 46087405 OEYHCEMAKQYNFD-QGZVFWFLSA-N 323.868 1.919 0 40 DDAB CCOC[C@@H]1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21 96198257 QUZXSOGRQGBPOU-AWEZNQCLSA-N 307.394 1.309 0 40 DDAB NC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1 96159997 JCSZBAQSBUNDQU-SMDDNHRTSA-N 311.407 1.610 0 40 DDAB COc1ccccc1OCC(=O)N1CC[C@H](OC)[C@H]2OCC[C@@H]21 96217781 SWHLHMGVSLTPQA-NUTKFTJISA-N 321.373 1.479 0 40 DDAB CS(=O)(=O)CCN1CCC[C@@H]1C(=O)NCC1CCCCC1 95436569 HBTREJNWLDSWRQ-CQSZACIVSA-N 316.467 1.192 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)s1 96414082 LNLSUPXMCOBPMO-QMMMGPOBSA-N 306.309 1.950 0 40 DDAB c1cnc(N2CCC[C@@]3(C2)CN(C2CCOCC2)CCO3)nc1 96226490 UDVWZOKMLPGEOP-KRWDZBQOSA-N 318.421 1.327 0 40 DDAB CC(C)NC(=O)N1CCc2ncc(CN(C)C(C)C)n2CC1 96196849 HTJPNUAFJDQAQR-UHFFFAOYSA-N 307.442 1.699 0 40 DDAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)CC1CC1)C2 96227059 JBTOTKXEEHVFKT-QAPCUYQASA-N 313.401 1.737 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1cccs1 247901204 WBOPGFBPSQQKRK-ZIAGYGMSSA-N 322.430 1.529 0 40 DDAB O=S(=O)(c1cccc2cccnc12)N1CC(n2ccnn2)C1 244998755 KSHHVBVSYHGOEA-UHFFFAOYSA-N 315.358 1.072 0 40 DDAB COc1ncc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cn1 257243513 IHIOYRGXXPGYRS-HNNXBMFYSA-N 313.405 1.981 0 40 DDAB Cn1nccc1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257327471 XBLXCPBXSVFWLZ-INIZCTEOSA-N 315.377 1.556 0 40 DDAB C[C@]1(O)CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1ccccc1 257308917 TYSODXAEWGGOFO-HOCLYGCPSA-N 301.346 1.454 0 40 DDAB CN(C)c1cccc(C(=O)NS(=O)(=O)CCC(F)(F)F)c1 252500264 SQJKQUXKJYVAFR-UHFFFAOYSA-N 324.324 1.765 0 40 DDAB CN1C(=O)N(Cc2ccnn2C)[C@H]2CC[C@@H](c3ccccn3)[C@H]21 257261031 LFLRVUXAFORHBO-CWRNSKLLSA-N 311.389 1.997 0 40 DDAB O=C(NCCCO)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 253370677 USGMFVJNHAVBGU-BRWVUGGUSA-N 317.433 1.579 0 40 DDAB Cc1nn(C)cc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257313082 UQZLKHXMGVTAGH-AWEZNQCLSA-N 315.377 1.690 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cnn(C)c2C)n1 257303722 SIKZCPXVFNHQBQ-CQSZACIVSA-N 317.393 1.293 0 40 DDAB CCCN(C)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 273781366 ZBGBTQBYNPTOKV-UHFFFAOYSA-N 305.327 1.320 0 40 DDAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccnc1 96123389 SKYAXSGEDMLSGA-UHFFFAOYSA-N 308.363 1.430 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NC2CCC2)C1 585095968 HRIUPCFCIRGYNE-LERXQTSPSA-N 302.378 1.091 0 40 DDAB O=C(N1CC[C@@H]2CN(CC3CC3)CCO[C@@H]2C1)C1(F)CCC1 585108248 DPEVTOBEIPKSBD-HUUCEWRRSA-N 310.413 1.838 0 40 DDAB O=C(c1cnccn1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099237 XVUPGCSACPCMFX-AWEZNQCLSA-N 313.361 1.124 0 40 DDAB CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585290137 SZHOYOYHLYYWRP-ZNSMELHXSA-N 318.417 1.581 0 40 DDAB COc1ccc(CC(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 48260721 GWWBTXDHEPFMNM-CQSZACIVSA-N 314.389 1.772 0 40 DDAB C[C@@H](OCC1CC1)C(=O)NCCNC(=O)Cc1ccccc1 58380177 CCAMFZIXNSLHOD-CYBMUJFWSA-N 304.390 1.277 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccnc(-n2ccnc2)c1 58392462 WQWGXFARNUYGSN-CQSZACIVSA-N 322.372 1.808 0 40 DDAB Cc1ccnn1-c1cccc(NS(=O)(=O)c2cn[nH]c2)c1 58379036 BRDGXGUKWACFOM-UHFFFAOYSA-N 303.347 1.705 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)c1cccnc1OCCOC 66124599 CZLVLIIIFYYAQD-ZDUSSCGKSA-N 309.410 1.567 0 40 DDAB CCO[C@@H](CC)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69973862 MLPORWJMUNABPC-SJORKVTESA-N 320.433 1.679 0 40 DDAB Cc1cc(C(=O)Cn2cnnc2[S@@](C)=O)c(C)n1C1CC1 70037844 SFKBFFLLWYYTOK-NRFANRHFSA-N 306.391 1.652 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2[nH]ccc12 72300573 SKEBTNOXEWTDPJ-WFASDCNBSA-N 321.446 1.928 0 40 DDAB C[C@H](C(=O)NCCNS(C)(=O)=O)c1cc2ccccc2o1 79013008 BZEMVJJYYHAMFU-JTQLQIEISA-N 310.375 1.202 0 40 DDAB C[C@]1(C(=O)NC2CCCC2)CCCN(C(=O)c2cc[nH]n2)C1 19746707 CILFGPRAVZILPS-INIZCTEOSA-N 304.394 1.711 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCc3cccnc3)c(=O)nc2c1 164577175 KLIKHCBTJKWUHN-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB Cc1cccc(CC(=O)NCC2(O)CSCCSC2)c1 1888961578 ZBLQRBQNJGJYIM-UHFFFAOYSA-N 311.472 1.865 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2ncnc3cc(F)ccc23)CCO1 2086967257 YAWZEMYVFGLHTE-CQSZACIVSA-N 316.336 1.253 0 40 DDAB CCC(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738595 BASDDRYVRYDULJ-SNVBAGLBSA-N 317.345 1.581 0 40 DDAB COC(=O)[C@H]1CC12CCN(C(=O)c1cc(C3CC3)on1)CC2 265082526 RRXICPZXRVTSTR-LLVKDONJSA-N 304.346 1.967 0 40 DDAB O=C(C1CN(c2nc3cc(Cl)ccc3o2)C1)N1CCOCC1 2298210823 CTPATZIMBYGAAM-UHFFFAOYSA-N 321.764 1.776 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 31242374 JXFKORPBGVWBPL-UHFFFAOYSA-N 312.753 1.367 0 40 DDAB Cc1ccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 40501859 VEAUDTHKMQIUPH-GFCCVEGCSA-N 316.313 1.845 0 40 DDAB O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCSCC1 40542161 KTKFAZKUJKFIDV-UHFFFAOYSA-N 318.398 1.525 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CN3CCO[C@H](C)C3)c2cc1C 51179892 WEGIZTOWBODOHK-CABCVRRESA-N 303.406 1.735 0 40 DDAB O=C1CN(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N1 31907464 MIWJIGWSRUFKIN-UHFFFAOYSA-N 323.308 1.114 0 40 DDAB CCSc1nnc(NC(=O)c2c(C(=O)O)cnn2C)s1 20614683 FYQCBHUWURQQQR-UHFFFAOYSA-N 313.364 1.334 0 40 DDAB CNC(=S)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 490999 UOBAIGLLODEIRY-UHFFFAOYSA-N 310.375 1.215 0 40 DDAB biogenic CCN(C(=O)c1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 32903864 ZBOXMCGYEHRGFC-CYBMUJFWSA-N 311.403 1.653 0 40 DDAB O=C(COC(=O)c1ccccc1-n1cnnn1)c1ccccc1 7981493 RTSGUQZPHZMPMJ-UHFFFAOYSA-N 308.297 1.702 0 40 DDAB Cc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 8286997 WVENOPVMRPZNMN-UHFFFAOYSA-N 309.325 1.637 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 21874765 VSQBSZRFLWETSZ-UHFFFAOYSA-N 324.446 1.855 0 40 DDAB COc1ccc(C[C@H](C(=O)O)N2CCN(C)CC2)cc1Cl 57657496 XBJZXYNKJLEDFI-CYBMUJFWSA-N 312.797 1.592 0 40 DDAB CCC[C@@H](C)N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 41476835 WOGVAFVORGRAHI-LLVKDONJSA-N 311.407 1.131 0 40 DDAB COc1ccc([C@@H](O)CNc2c(C)c(C)nc3ncnn23)cc1 70017936 OPYQLGHWLGPZOV-AWEZNQCLSA-N 313.361 1.895 0 40 DDAB CCOC(=O)CNC(=O)N(CC)C[C@@H]1COc2ccccc2O1 46704997 LNGILYTYRUNWRG-GFCCVEGCSA-N 322.361 1.421 0 40 DDAB COc1ccc(C2(C(=O)N3CC[C@H](C(N)=O)C3)CCCC2)cc1 70030721 LUQCPMFWZMSDSV-ZDUSSCGKSA-N 316.401 1.841 0 40 DDAB COc1cccc(COCC(=O)NCC(=O)N2CCCCC2)c1 46823104 OYVJOJFLRRZRFR-UHFFFAOYSA-N 320.389 1.341 0 40 DDAB C1Cc2nnc(C3CCN(Cc4noc(C5CC5)n4)CC3)n2C1 53610724 PUKUPDRGNWVVRC-UHFFFAOYSA-N 314.393 1.864 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 37474904 WDZZLILCEUHSEI-SWLSCSKDSA-N 319.380 1.564 0 40 DDAB CC(=O)N1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1 47264524 VEKMQQCNIUTMLA-UHFFFAOYSA-N 305.407 1.208 0 40 DDAB O=C(C1CCOCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721181 NWYOCAFVHAFDBJ-JYJNAYRXSA-N 309.406 1.598 0 40 DDAB CN(Cc1cccc(F)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 54417686 MZCPEMUJVORDOU-UHFFFAOYSA-N 301.325 1.428 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCc2cccnc2)C1 76019331 OIIYQIGXWZUFAS-KBPBESRZSA-N 310.419 1.486 0 40 DDAB O=C(c1ccccc1O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 55231788 KIBJLZIRLRZCJI-CYBMUJFWSA-N 318.373 1.103 0 40 DDAB C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cc(F)cc(F)c1 55280762 GBMRHGAFQZJWMH-VIFPVBQESA-N 318.345 1.254 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C3C4[C@H]5C=C[C@H]4[C@H]([C@@H]15)[C@H]32 104287297 AOHYTJBOCPQEPM-FOXPBMATSA-N 305.337 1.204 0 40 DDAB CC[C@H](C)[C@@H](C(=O)O[C@H](C)C(=O)NC(N)=O)c1ccccc1 106520227 WTBXAAQCXSZQDA-DMDPSCGWSA-N 306.362 1.943 0 40 DDAB CCOCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25323101 RSZZXPFYHKMIEI-ZDUSSCGKSA-N 308.378 1.675 0 40 DDAB CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 107063594 YJKREVBHTXTQLF-VHDGCEQUSA-N 321.425 1.256 0 40 DDAB CC(=O)c1ccccc1OCCN(C)[C@@H]1CCS(=O)(=O)C1 34990261 PPBMZMLYWZXXRV-CYBMUJFWSA-N 311.403 1.387 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)NC[C@H]3CCOC3)cn2)C[C@@H](C)O1 107572532 SSBNXTVCSVDTJZ-HZSPNIEDSA-N 319.405 1.462 0 40 DDAB FC(F)(F)c1ccnc(N2CCN(c3cnccn3)CC2)n1 26723384 UUFLARZVIDUNPI-UHFFFAOYSA-N 310.283 1.612 0 40 DDAB CC1CCN(C(=O)COC(=O)c2ccc3c(c2)OCO3)CC1 3228092 VVYNOESXUGCITO-UHFFFAOYSA-N 305.330 1.831 0 40 DDAB CC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 27476427 VRIUXSODIAHXIT-UHFFFAOYSA-N 300.362 1.186 0 40 DDAB O=C(Nc1ccncc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 44891392 DIHFNJMLGVVPEZ-UHFFFAOYSA-N 320.374 1.447 0 40 DDAB COc1ccc([C@@H]2CCCN2CCS(C)(=O)=O)cc1OC 48052543 QEDHLUPDTGJNAA-ZDUSSCGKSA-N 313.419 1.885 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)OCCO2 44917671 FJXAODMSNXGNRO-LLVKDONJSA-N 323.374 1.021 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)cn1 58325823 YTKGOSYECAZKRC-UHFFFAOYSA-N 315.295 1.627 0 40 DDAB COC(=O)N1CCC(NC(=O)c2ccc(N(C)C)c(F)c2)CC1 58343420 OUCHUWHZSXSXLK-UHFFFAOYSA-N 323.368 1.852 0 40 DDAB NC(=O)c1ccc(OCC(=O)NCc2ccc(O)cc2)cc1 58414929 DGPFCFLKIKTSSA-UHFFFAOYSA-N 300.314 1.186 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@H]1Cc1cccc(F)c1 58462284 HMLVLVQEZKRZRB-HNNXBMFYSA-N 315.348 1.616 0 40 DDAB O=C(NCC(=O)N1CCCC1)Nc1ccccc1-n1cccn1 48152302 YREOKEZJVJWUMV-UHFFFAOYSA-N 313.361 1.616 0 40 DDAB C[C@H]1CN(CCCN2C(=O)c3ccccc3C2=O)[C@H](C)CO1 45838945 RXCNLOHLBMEUJM-OLZOCXBDSA-N 302.374 1.782 0 40 DDAB COc1ccc(C(=O)NCCc2nnc3ccccn23)cc1F 12761598 GOVHMBWYVXWFQQ-UHFFFAOYSA-N 314.320 1.850 0 40 DDAB O=C(NC[C@@H]1CCOC1)C1=NN(Cc2ccccc2)C(=O)CC1 48325705 UEVXCYQXVKAJCF-AWEZNQCLSA-N 315.373 1.318 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)CCc2ccco2)CC1 69892595 ANABJKGVAWGGGK-UHFFFAOYSA-N 316.405 1.680 0 40 DDAB O=C(NCCC(=O)N1CCOCC1)c1ccc2ccccc2c1 13020298 OZSBOMJMNQZRIP-UHFFFAOYSA-N 312.369 1.819 0 40 DDAB COC(=O)/C(=C1\CCCCN1)S(=O)(=O)c1ccccc1F 67340885 ROOPXQSZRZFFEN-QBFSEMIESA-N 313.350 1.758 0 40 DDAB O=C(Cn1cnnn1)NCC1(c2c(F)cccc2F)CCCC1 69591031 KMTSALHKSMZSCZ-UHFFFAOYSA-N 321.331 1.580 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCc1ccco1 69922485 JANTUUYBEOAGHM-CVEARBPZSA-N 319.405 1.371 0 40 DDAB COc1cccc(CSCC(=O)NCC(=O)N2CCCC2)c1 64375487 GORIGEIKMCUAHG-UHFFFAOYSA-N 322.430 1.667 0 40 DDAB Cc1ccoc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69652370 LOXBXFKGQXUXNP-UHFFFAOYSA-N 302.378 1.670 0 40 DDAB Cc1ccc(-c2cc(CN3CCN(CCO)CC3)on2)cc1 69773372 QVIIIMRZGITBEP-UHFFFAOYSA-N 301.390 1.760 0 40 DDAB Cc1nnc(NCCc2c[nH]c3ccc(Cl)cc23)n(N)c1=O 5274819 YYCSAMZCQZNALE-UHFFFAOYSA-N 318.768 1.450 0 40 DDAB O=C(NCCCN1CCCC1)N1CCN(c2nccs2)CC1 65439476 OHVLCYFNSZEWKU-UHFFFAOYSA-N 323.466 1.461 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(O)nc2ccccc12 65479759 BNKHZSPMAUMEDK-LLVKDONJSA-N 308.341 1.882 0 40 DDAB CSc1nc(C)c(CCC(=O)Nc2nccs2)c(=O)[nH]1 8768508 GGMPKOZEPOSYLZ-UHFFFAOYSA-N 310.404 1.828 0 40 DDAB C/C(=C/C(=O)O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 4744985 XPTSSWKAOBULBM-KTKRTIGZSA-N 315.329 1.454 0 40 DDAB CC1(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 66597977 DKOUUAVQSSBXBI-LBPRGKRZSA-N 317.455 1.290 0 40 DDAB CN(C)C(=O)[C@H]1CSCN1C(=O)C1=Cc2ccccc2OC1 66657284 XABPQRGUHFBORB-CYBMUJFWSA-N 318.398 1.452 0 40 DDAB CS(=O)(=O)c1cc(F)ccc1N1CCC(C(=O)O)CC1 16158941 GCSIFISLGZHMMA-UHFFFAOYSA-N 301.339 1.530 0 40 DDAB CC(C)(C)n1ncc2c(N3CCCC[C@H]3CC(N)=O)ncnc21 91016865 KAIPFGXWRMINKI-NSHDSACASA-N 316.409 1.816 0 40 DDAB COC(=O)CCNC(=O)COc1ccc2c(C)cc(=O)oc2c1 9498140 QRAYIMCIJFIJDX-UHFFFAOYSA-N 319.313 1.160 0 40 DDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 64596932 LLAGJLDJRSAJEL-UHFFFAOYSA-N 302.421 1.165 0 40 DDAB C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCS(=O)(=O)N(C)C 97047635 HEAIQKUGSJRCME-MLGOLLRUSA-N 324.446 1.708 0 40 DDAB C[C@@H]1C[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)CN1C1CC1 97034043 BOCJQDLNPGIMHA-IUODEOHRSA-N 316.449 1.884 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCc1cccs1 71875420 HTPWLNKMMPOOJP-CYBMUJFWSA-N 304.419 1.725 0 40 DDAB COc1ccc(C(=O)N[C@H](C)C(C)(C)C)cc1-n1cnnn1 97081334 ZDOLMICJTANBEV-SNVBAGLBSA-N 303.366 1.835 0 40 DDAB Cc1nc(NS(C)(=O)=O)ccc1I 97098468 QCXHJVXZFVZVRB-UHFFFAOYSA-N 312.132 1.366 0 40 DDAB O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccncc1F 97104282 NTTAHBFMUKMGBF-UHFFFAOYSA-N 311.320 1.978 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1ccccc1Cl 95417186 HDTLAJGVMDXNSV-KBPBESRZSA-N 310.781 1.501 0 40 DDAB Cc1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1-n1cnnn1 95978277 VGQBQFLSZQFQDF-UHFFFAOYSA-N 323.303 1.460 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](C)OC[C@H]2CCCO2)c(=O)[nH]1 75124330 ZNLIETXECLSPMM-QWHCGFSZSA-N 308.378 1.192 0 40 DDAB Cc1ccc(C(=O)N2CCN(c3nccs3)CC2)c(=O)[nH]1 75119098 BRFVIYGPKPRSLQ-UHFFFAOYSA-N 304.375 1.102 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(=O)[nH]1 75119289 BZGSWLYDSYIPHI-JTQLQIEISA-N 300.314 1.903 0 40 DDAB CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CCOc2ccccc21 89840286 WTYZKHHIWMLIGT-ZFWWWQNUSA-N 322.405 1.843 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89834990 NMDJZUDMLFVBEB-IRXDYDNUSA-N 311.385 1.740 0 40 DDAB CCS(=O)(=O)NCCSc1nnc(C(C)C)n1C1CC1 68045007 JYUUKYCHXJMDFY-UHFFFAOYSA-N 318.468 1.768 0 40 DDAB CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408591565 IRMKSRIUPFYHTO-LLVKDONJSA-N 314.407 1.134 0 40 DDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 36261322 FJVQRFUUMWYCNY-LVEBTZEWSA-N 313.309 1.306 0 40 DDAB COc1cccc(N2C[C@H](C(=O)Nc3cnoc3)CC2=O)c1 75170931 ATKQSDVAYZSBSC-SNVBAGLBSA-N 301.302 1.675 0 40 DDAB CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 60416594 DSYLZOGSSCDQHM-HUUCEWRRSA-N 307.438 1.236 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 72241854 OJPCSSLFMSBDNY-GOEBONIOSA-N 320.364 1.594 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1 120282401 ZQICXUUIZGQZBO-UHFFFAOYSA-N 323.374 1.038 0 40 DDAB COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 32912733 BNMRTGQXYGLJBR-KWQFWETISA-N 315.778 1.499 0 40 DDAB O=C(NCCc1n[nH]c(-c2ccco2)n1)[C@H]1Cc2ccccc2O1 78777955 LNCSLAHOLKJTPC-CQSZACIVSA-N 324.340 1.727 0 40 DDAB O=C(CN(Cc1ccncc1)C[C@@H]1CCCO1)N1CCCC1 76050253 PXGZMHRFLQHPHO-INIZCTEOSA-N 303.406 1.685 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(CCOc2ccccc2)CC1 374820530 CJTZWHYDFSZCRL-UHFFFAOYSA-N 324.446 1.565 0 40 DDAB CC(C)(C)n1nnnc1CN1CCN(c2ccccc2)CC1 35310709 AUTSFTNGCXSIST-UHFFFAOYSA-N 300.410 1.750 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C 133921196 DVRSHVGZTZKTFX-UHFFFAOYSA-N 306.391 1.960 0 40 DDAB O=C(NCc1ccncc1)C(=O)Nc1cc(Cl)ccc1O 40287283 QFJLMKDAIUYZGN-UHFFFAOYSA-N 305.721 1.696 0 40 DDAB COc1ccc([C@H]2C[C@@H](C)N(CCNS(C)(=O)=O)C2)cc1 76391398 KDWVEJULAWKHJC-OCCSQVGLSA-N 312.435 1.422 0 40 DDAB NCCCOC1CCN(C(=O)Cc2ccc(F)cc2F)CC1 195537958 SSBBUTPAAYVUIC-UHFFFAOYSA-N 312.360 1.864 0 40 DDAB COCCNC(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O 225435462 JGZFAZQVZBSUCT-VIFPVBQESA-N 308.309 1.910 0 40 DDAB biogenic,in-vitro CCc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3CCOC)cc1 96081191 PXBPXIOZQPGIMR-CVEARBPZSA-N 316.401 1.711 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)on1 97372128 FTCWGXDFSJWMTJ-CYBMUJFWSA-N 319.748 1.950 0 40 DDAB Cc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@H]3C2)o1 96182600 CAGFHMDAUSQFND-OIISXLGYSA-N 317.433 1.619 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCn1cccc1)CC2 97100772 HKIUWFIFZBNCAF-GJZGRUSLSA-N 321.421 1.450 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(Cc2ccco2)Cc2ccnn2C1 96044179 YJQPEFSJGHVAEI-CQSZACIVSA-N 314.389 1.634 0 40 DDAB CCc1nsc(N2CCN(C(=O)c3cnc(C)cn3)CC2)n1 96432230 RNJYJIVOUZEWOP-UHFFFAOYSA-N 318.406 1.161 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(Cc4nccs4)C[C@H]32)nn1 96054402 RBCMHHJBKIGFKE-OLZOCXBDSA-N 317.418 1.331 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 96419785 XZFMXQUWWTXRPO-FQUUOJAGSA-N 316.467 1.708 0 40 DDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1 96062033 HIQYKCKTGIVVDU-AWEZNQCLSA-N 303.454 1.417 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1C1CCOCC1 96201269 PNTRGWUCXILHKS-ZDUSSCGKSA-N 301.394 1.684 0 40 DDAB CC(C)c1nc(NCc2nnc(C(C)C)n2C)nc(N(C)C)n1 96499886 RFMRWFOHKIXKII-UHFFFAOYSA-N 318.429 1.925 0 40 DDAB CC(C)c1noc(CN2CCc3ncnc(N(C)C)c3C2)n1 97202324 WYDGNEXPWATSPC-UHFFFAOYSA-N 302.382 1.607 0 40 DDAB Cc1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nn1 96074047 YCLZWOIEZKFLIT-QGZVFWFLSA-N 324.388 1.599 0 40 DDAB O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 96161561 BSBMGUIMTKFTTA-OKILXGFUSA-N 314.414 1.742 0 40 DDAB O=C(c1nc2c(s1)CCCN2C(=O)C1CC1)N1CCOCC1 96264690 IHYVIYXDNKWQBN-UHFFFAOYSA-N 321.402 1.305 0 40 DDAB COC(=O)[C@H]1C[C@@H]1C(=O)NCCCc1nc2ccccc2n1C 96412470 NJXRHTSFYDEFDR-RYUDHWBXSA-N 315.373 1.431 0 40 DDAB COCC(=O)NCC[C@@H]1CN(CC2CCC2)Cc2ccnn21 247856091 UEOVZRMBXHOTNU-CQSZACIVSA-N 306.410 1.193 0 40 DDAB COCCNC(=O)[C@@H]1CN(C2CCCC2)Cc2cccn2C1 247816988 BSPRKRUUEFQXNH-AWEZNQCLSA-N 305.422 1.625 0 40 DDAB CCOC[C@H]1CN(C(=O)NCCc2nc(C)oc2C)CCO1 527840157 ZQXOFPZRFLOZNK-CYBMUJFWSA-N 311.382 1.281 0 40 DDAB CCc1nccn1CCC(=O)N1CCC2(CC1)OCCC[C@H]2O 257262118 LKCVICAHRHPADG-CQSZACIVSA-N 321.421 1.368 0 40 DDAB CO[C@@H](C)CS(=O)(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 252494279 NQPQSLOAYZWHPG-JTQLQIEISA-N 314.407 1.226 0 40 DDAB Cc1cncc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257323099 WITXJYREESSPDW-CYBMUJFWSA-N 300.366 1.475 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)Cn1cccnc1=O 257205846 BAVHGTYXEQMIHG-LBPRGKRZSA-N 301.350 1.029 0 40 DDAB C[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1nncn1C 43162833 JJNHICPCTRFJFV-JTQLQIEISA-N 317.349 1.147 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@@](CO)(Cc2ccccc2F)C1 585275665 HTUGMWFFRVZNKH-KRWDZBQOSA-N 319.380 1.663 0 40 DDAB C[C@H]1CCCCN1CCNS(=O)(=O)c1ccccc1F 48905465 ZIEOTGNEZOILFQ-LBPRGKRZSA-N 300.399 1.978 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 56156892 JQVVNRWQXWFPDO-NEPJUHHUSA-N 307.394 1.969 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 69807846 KGDGPVZHARLOSB-JKSUJKDBSA-N 320.408 1.844 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H](C)Cn2cccn2)C1 69870300 VOXJGAPJEVKKFF-HIFRSBDPSA-N 301.394 1.888 0 40 DDAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCCN2CCO)n1 72382371 XKLXUNOJRYNUKV-ZDUSSCGKSA-N 314.393 1.838 0 40 DDAB Nc1ccccc1S(=O)(=O)NCCSC(F)(F)F 91252818 DZZKTPQHVYFGOW-UHFFFAOYSA-N 300.327 1.800 0 40 DDAB CCn1nncc1CNC(=O)N[C@@H]1CCOCC12CCCC2 1548453620 AICQVLLDBCXSCU-CYBMUJFWSA-N 307.398 1.447 0 40 DDAB CCOc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 5045206 BSIDIMYIDCMCSB-UHFFFAOYSA-N 305.359 1.899 0 40 DDAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5210497 LPTLPGOCBQPRBG-UHFFFAOYSA-N 320.374 1.983 0 40 DDAB O=C(O)/C=C/C(=O)N1CCN(C/C=C\c2ccccc2)CC1 33341931 QOOIMMZWEPKWFN-NKUJDFQBSA-N 300.358 1.485 0 40 DDAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)n1 7371341 VMINWXWMLWDTOA-SNVBAGLBSA-N 320.422 1.837 0 40 DDAB Cc1nc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)cs1 1889108445 JYLDIRXDMZXDTG-NSHDSACASA-N 315.464 1.498 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)C3(F)CCC3)CC2)C1 1565551514 OMEHRPDBTWYDPQ-UHFFFAOYSA-N 311.401 1.921 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1ccc(C)c(F)c1 225633165 NDBFLQMJDIQWET-ZFWWWQNUSA-N 323.364 1.856 0 40 DDAB O=C(Cc1ccc(NC(=O)N2CCNC2=O)cc1)NC1CC1 225616052 TZSFNDJKESLUIT-UHFFFAOYSA-N 302.334 1.065 0 40 DDAB Cc1ccc(=O)n(CC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 585501491 GNYFBEAAFKATQU-HZPDHXFCSA-N 305.422 1.567 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC[C@H](c3ncon3)C2)cc1 245180682 ZGJQGIBPTBWANG-LBPRGKRZSA-N 301.302 1.486 0 40 DDAB CNC(=O)CSc1nnc(COc2ccc(C)cc2)n1C 410954 QELJSRMRJLMQRT-UHFFFAOYSA-N 306.391 1.541 0 40 DDAB O=C(CSc1nnnn1-c1cccc(F)c1)N1CCCCC1 412658 JMOARGSIEIQSQQ-UHFFFAOYSA-N 321.381 1.906 0 40 DDAB CCOC(=O)C(=O)N[C@H]1CC=CC[C@@H]1c1ccc2c(c1)OCO2 1711689 IJDUZLOVTWEQOA-OLZOCXBDSA-N 317.341 1.897 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 32740503 AGDBCKCFYANQFO-UHFFFAOYSA-N 322.839 1.691 0 40 DDAB Cc1cc(C(=O)Nn2c(S)nc3ccccc3c2=O)nn1C 2791961 ITDDKUUJXGKKSV-UHFFFAOYSA-N 315.358 1.111 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccnc2)no1 76043835 WSSWAHPAFWYSFK-MFKMUULPSA-N 302.334 1.904 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)n1 46739101 ZAICVEGMVDKVNQ-CQSZACIVSA-N 312.373 1.518 0 40 DDAB O=C(CCc1ccco1)NCCS(=O)(=O)Cc1ccccc1 41656172 PPIBRHUSNASIED-UHFFFAOYSA-N 321.398 1.943 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)/C=C/c1ccc2c(c1)OCO2 46887337 XULVEZORMXQMAY-LQPUYASZSA-N 318.373 1.265 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H]1C)CC2 76022940 KYQNECJEOAXWPZ-GXFFZTMASA-N 308.403 1.530 0 40 DDAB CCN(CC)CC(=O)NC1CCN(c2ccc(C)cn2)CC1 76085118 BUBHZJYNLFDKCI-UHFFFAOYSA-N 304.438 1.817 0 40 DDAB O=C(NCc1ccncc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O 53759093 KSNUMCLFNGQUBK-HNNXBMFYSA-N 313.332 1.890 0 40 DDAB Cc1nc(N2CCC(CN3CCCC3)CC2)c2cnn(C)c2n1 54060228 VFEKNKIUPMBLRC-UHFFFAOYSA-N 314.437 1.984 0 40 DDAB CCNS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C 76997706 RTNFXCGXSPAXIN-UONOGXRCSA-N 310.419 1.154 0 40 DDAB Cc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)nc(C)n1 52188670 CYPLBMQNIUIEJJ-UHFFFAOYSA-N 310.401 1.985 0 40 DDAB CCc1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)cc1 101274011 RFFKJLFJNPXAAA-HNNXBMFYSA-N 301.390 1.128 0 40 DDAB O=C(NCc1cccnc1)[C@H]1CCCN(C(=O)c2ccco2)C1 25318110 PZOMLNXXZBIPMN-AWEZNQCLSA-N 313.357 1.843 0 40 DDAB COC1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 44399434 MQUYKALMWKMJMP-UHFFFAOYSA-N 324.812 1.981 0 40 DDAB O=C(COC(=O)CNC(=O)C1CC1)NC1CCCCCCC1 47837141 KEKBFTDKDDAXAD-UHFFFAOYSA-N 310.394 1.285 0 40 DDAB O=C(NCCO)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 108497535 MJMVORMDOFWUID-YESZJQIVSA-N 317.433 1.579 0 40 DDAB CCN1CCN([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 101274116 YSUFMIPXUUBTTO-INIZCTEOSA-N 315.417 1.573 0 40 DDAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O)C1CC1 58181757 VPVXGAFOGWQEGP-MRXNPFEDSA-N 319.336 1.214 0 40 DDAB O=C(C1CCCCCC1)N1CCC(n2cc(CCO)nn2)CC1 48063593 WCDHMJPCMJWYNW-UHFFFAOYSA-N 320.437 1.947 0 40 DDAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)NCc1ccco1 58280556 HUSDESIREADSFD-SECBINFHSA-N 308.284 1.993 0 40 DDAB CON(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58282264 YUPJFPMPCMKDBC-LLVKDONJSA-N 306.318 1.040 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1 44940913 NRXGHJKXMQJMBG-GFCCVEGCSA-N 323.414 1.731 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CCN1C(=O)CCC1=O 36396855 PCJLFGCXYUGBHP-LLVKDONJSA-N 322.792 1.926 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1cc[nH]n1 48235695 QDWKKNUBLFDIOE-UHFFFAOYSA-N 302.334 1.223 0 40 DDAB O=C(NCCN1CCOCC1)NCC1(c2ccccc2)CC1 45546440 IKZARRAMPCDLJI-UHFFFAOYSA-N 303.406 1.350 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1cccnc1N1CCOCC1 48262846 AFMVSECWWZGKTL-AWEZNQCLSA-N 319.405 1.417 0 40 DDAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccc(F)cc1 2410285 CPBHEOSKWLEWTN-LBPRGKRZSA-N 314.382 1.920 0 40 DDAB Cc1nc(COc2ccc(C(=O)O[C@H]3CCOC3=O)cc2)no1 11261195 WLYQMXDVFIPZNS-LBPRGKRZSA-N 318.285 1.429 0 40 DDAB CCCc1cc(=O)[nH]c(S[C@H](C(=O)NC(N)=O)C(C)C)n1 11443461 LGVNEBYFPAWKJI-JTQLQIEISA-N 312.395 1.034 0 40 DDAB CCc1noc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 29134586 IEOXPHBCKAGGIO-MRXNPFEDSA-N 312.329 1.526 0 40 DDAB O=C(CN1CCSC1=O)N1CCO[C@H](c2ccc(F)cc2)C1 29115283 ZMPVNLQOVXQEFF-ZDUSSCGKSA-N 324.377 1.894 0 40 DDAB COC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OC 59608470 QKEJUZOTDYLIBA-LLVKDONJSA-N 313.737 1.565 0 40 DDAB C[C@H]1CN(Cc2ccccn2)CCN1c1ccc2nncn2n1 69459421 PRMQURHNFDQKSX-ZDUSSCGKSA-N 309.377 1.230 0 40 DDAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCNC(=O)C1 3540269 VTASBAKTVBRWRT-MRVPVSSYSA-N 316.188 1.752 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)O)C1 13170974 QMEZISSVZNZBIY-JTQLQIEISA-N 311.359 1.027 0 40 DDAB CCCCOC(=O)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1 4047674 ZAJIPYILQLHKLQ-UHFFFAOYSA-N 303.318 1.764 0 40 DDAB O=C(NC1CC1)[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1 69582814 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CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 69901555 UMFMQXQEORFMSY-CVEARBPZSA-N 318.421 1.674 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccs2)c1 5938236 NVODFBQOGFVRLS-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB O=C(c1cc[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 15415675 QLHGUFSTIQFMCZ-UHFFFAOYSA-N 314.345 1.096 0 40 DDAB CC1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 7442677 ZAMZWZPPSCTVIX-UHFFFAOYSA-N 322.409 1.004 0 40 DDAB COc1cc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc(OC)c1 8942470 UAMVDVOOQCNEIM-SNVBAGLBSA-N 311.359 1.591 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCC(C(=O)O)CC1 8026910 CPTLONFKJJAFIJ-UHFFFAOYSA-N 307.346 1.787 0 40 DDAB O=C(NCc1nc(C2CC2)no1)N1CC[C@](O)(C(F)(F)F)C1 81492131 UAEGXKJXPKZCFV-LLVKDONJSA-N 320.271 1.156 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 70015961 IDMCHLZBURAHDP-SNVBAGLBSA-N 300.761 1.618 0 40 DDAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1csnn1 78869033 JEYCHDASPDJHON-JTQLQIEISA-N 322.777 1.727 0 40 DDAB CC(C)c1ccsc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 72290704 VWLRCPTWHDXWSG-AWEZNQCLSA-N 307.375 1.296 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1 72293253 HVRACOHAXLAVDX-CYBMUJFWSA-N 315.329 1.739 0 40 DDAB COC(=O)C[C@H](C)NC(=O)CCOc1ccc(C)cc1OC 71837402 HDHUISBGQBUPDY-LBPRGKRZSA-N 309.362 1.840 0 40 DDAB CCc1nc(CN(C)C[C@@H]2CCCN2c2cccnn2)no1 71877482 FSYCQFYAJHSMCG-LBPRGKRZSA-N 302.382 1.523 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)c1 71866135 XKIWTGHULVINLW-HZPDHXFCSA-N 320.437 1.293 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)Cc2cn3ccsc3n2)no1 72298983 SIQFUAZBAGFTHL-NSHDSACASA-N 317.374 1.993 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)NCc2ccncc2)CC1 71920295 PXAKAGVVUGXNFA-OAHLLOKOSA-N 319.453 1.154 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnn(-c3ccccc3)n1)C2 97199170 GMHPDJNQHYOEIT-CYBMUJFWSA-N 322.372 1.517 0 40 DDAB Cc1nc(NC(=O)N(C)C2CCS(=O)(=O)CC2)sc1C 72306226 CFVJNXHIWCBJAN-UHFFFAOYSA-N 317.436 1.801 0 40 DDAB COC(=O)C1(NCC(=O)NC(=O)Nc2ccccc2)CCCC1 95398691 QYBSJODVKSTDTN-UHFFFAOYSA-N 319.361 1.410 0 40 DDAB Cn1cc(CCC(=O)NC[C@]2(O)CCOC2)c2ccccc21 95438520 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1.535 0 40 DDAB Cc1cc(C)cc(CSCC(=O)NCCN2CCOCC2)c1 408562554 AVZATTZWYPZGIE-UHFFFAOYSA-N 322.474 1.985 0 40 DDAB C=CCN(CC(=O)O)S(=O)(=O)Cc1cc(Cl)ccc1F 547579023 CXHDGXPLTPTMQP-UHFFFAOYSA-N 321.757 1.882 0 40 DDAB C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1F)c1nnn[nH]1 124248749 SLRDCSRRMHCTCK-VIFPVBQESA-N 309.320 1.673 0 40 DDAB O=C(NCCCNC(=O)c1ccc(F)cc1)NC[C@H]1CCCO1 78984333 QLYSUNCOHPUBJM-CQSZACIVSA-N 323.368 1.424 0 40 DDAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc(Cl)n(C)n1 72242582 PRMQEASJHGOHED-LLVKDONJSA-N 305.769 1.979 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393234 KKCPMPUDECUYNY-GJZGRUSLSA-N 319.405 1.497 0 40 DDAB C[C@H](N)C(=O)N(C)C[C@@H]1CCCN1C(=O)OCc1ccccc1 79393072 BXEBNNKBZYDGEF-ZFWWWQNUSA-N 319.405 1.593 0 40 DDAB Cc1cc(C(=O)N2CCN(C)CC2)nc(N2CCCCCC2)n1 72241500 AYTDVMRHVJIGEH-UHFFFAOYSA-N 317.437 1.553 0 40 DDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(CO)C(=O)O)cc1 218438996 WNXKHNGVJWFHIZ-IPYPFGDCSA-N 312.387 1.213 0 40 DDAB O=C(N[C@H]1CCOc2ccccc21)c1cccnc1-n1cncn1 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O=C(NCc1cccs1)C(=O)NC[C@H](O)c1cccs1 75156009 FGWDRQFTMFCXCK-JTQLQIEISA-N 310.400 1.276 0 40 DDAB Cc1nc2ccc(N[C@H](C)C(=O)N3CCNC3=O)cc2s1 32753306 RUUIUZDPDRXRRI-MRVPVSSYSA-N 304.375 1.957 0 40 DDAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40086733 JUBNDKMKQQADKA-UHFFFAOYSA-N 324.358 1.791 0 40 DDAB NC(=O)N[C@H](CC(=O)Nc1cccnc1)c1ccccc1F 40498481 LVHOKABUMGMOCU-CYBMUJFWSA-N 302.309 1.959 0 40 DDAB Cc1ccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 170614 DYRYXTPTSASCCJ-UHFFFAOYSA-N 318.764 1.444 0 40 DDAB biogenic NC(=O)CC1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 40542617 ZVIMEIZKOJNTIT-AWEZNQCLSA-N 322.792 1.758 0 40 DDAB Cn1ncc2c(=O)n(C[C@@H](O)c3ccccc3Cl)cnc21 51290449 IOWKGQWRYXOPCC-GFCCVEGCSA-N 304.737 1.517 0 40 DDAB Cc1nc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)no1 60381796 YFJJYVUXBJHBDS-VIFPVBQESA-N 314.301 1.430 0 40 DDAB O=C(NC(=S)Nc1nccs1)c1ccc2c(c1)OCO2 557565 YLQSVBQKNKGMHQ-UHFFFAOYSA-N 307.356 1.999 0 40 DDAB O[C@H](CN1CCN(c2ncnc3[nH]ccc23)CC1)c1ccccc1 69624528 RWIDTFPUJOATLM-MRXNPFEDSA-N 323.400 1.814 0 40 DDAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)cn3)ccc2N1 69675810 VMFROHXFPOPDQK-UHFFFAOYSA-N 321.333 1.906 0 40 DDAB O=C(NCCN1CCOCC1)N1CC[C@@H](c2cccc(F)c2)C1 69698805 PEVOLKXQFLYJAX-OAHLLOKOSA-N 321.396 1.657 0 40 DDAB COCCNc1nnc(S[C@@H]2CCCCNC2=O)s1 32878876 YPKLAFPSKMYVLX-MRVPVSSYSA-N 302.425 1.357 0 40 DDAB O=C(Cc1nc2ncccn2n1)N[C@H]1CCCc2ccccc21 32926031 OENKRMUNYFKMQH-AWEZNQCLSA-N 307.357 1.861 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@@H]2COc3ccccc3O2)no1 46728423 RHIDMFJLWJANHM-CYBMUJFWSA-N 317.345 1.964 0 40 DDAB COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 804708 FYRLDGZKWMHXOC-UHFFFAOYSA-N 323.374 1.731 0 40 DDAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccs1 22993536 WSJIHXQXTLZMGO-UHFFFAOYSA-N 316.326 1.047 0 40 DDAB C[C@H]1NC(=S)N(Cc2ccc(N3CCCCC3)nc2)C1=O 55179009 VPATWWCQXDFFRQ-LLVKDONJSA-N 304.419 1.677 0 40 DDAB Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 23396267 XMKZFQKDTOOOAP-UHFFFAOYSA-N 319.386 1.010 0 40 DDAB C[C@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(N)=O 23522804 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COCCN1C(=O)[C@@H](n2cnnn2)[C@@H]1c1ccc(Cl)cc1 58154868 WZVZSUHCGCGHLC-RYUDHWBXSA-N 307.741 1.098 0 40 DDAB CC(C)N(C)S(=O)(=O)NCCCc1ccc(N(C)C)cc1 58184269 FWTIHKJBPGRZDD-UHFFFAOYSA-N 313.467 1.860 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(C2CC2)n[nH]1 58153342 GKYARYWNBAKZSQ-UHFFFAOYSA-N 309.329 1.636 0 40 DDAB CCOC(=O)c1nc(CN2CCC[C@H](NC(C)=O)C2)cs1 58135791 QERKEPLYMKLSBQ-NSHDSACASA-N 311.407 1.420 0 40 DDAB CC1(C)COCCN1C(=O)c1cc2c([nH]c1=O)CCCC2=O 58290613 JPVYQVXEGXZAHX-UHFFFAOYSA-N 304.346 1.145 0 40 DDAB NC(=O)N[C@@H](CC(=O)Nc1nncs1)c1ccccc1F 44918481 ZPLJXYKHQFOGQF-VIFPVBQESA-N 309.326 1.415 0 40 DDAB C[C@@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)[C@@H]1CCCO1 27884812 KSXIOLOBPLDAQB-ZJUUUORDSA-N 323.374 1.249 0 40 DDAB COc1c(CN[C@H](C)c2nnc3n2CCCCC3)c(C)nn1C 58391815 RWGUSUCGKKZECQ-GFCCVEGCSA-N 318.425 1.906 0 40 DDAB COc1ccccc1CCNS(=O)(=O)N1CCC[C@H](C)C1 27953628 OATGPKLRPSDEPK-ZDUSSCGKSA-N 312.435 1.804 0 40 DDAB COCCNC(=O)NC(=O)CN(Cc1ccccc1)C(C)C 10930300 ITRNTZXWFPSCOF-UHFFFAOYSA-N 307.394 1.369 0 40 DDAB O[C@H](COCc1ccco1)CN1CCC[C@@H]1Cn1cccn1 69895609 KBXZJGSLUMFQFL-CABCVRRESA-N 305.378 1.518 0 40 DDAB C[C@H](O)CN1CCN(Cc2cc(-c3ccccc3)no2)CC1 69878033 OYNRRRPFHHMRDF-AWEZNQCLSA-N 301.390 1.840 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(O)nc2)cc1 13427179 BYGYYWWTYMQTPN-CYBMUJFWSA-N 316.313 1.742 0 40 DDAB O=S(=O)(NCCCn1ccnc1)c1cccc2cccnc12 4067048 MCRGSJBZDUZWKK-UHFFFAOYSA-N 316.386 1.800 0 40 DDAB C[C@@H](SCc1nc(N)nc(N)n1)C(=O)NC1CCCCCC1 8704358 VLOTXRPSPUHQKJ-SECBINFHSA-N 324.454 1.497 0 40 DDAB O=C(Nc1cc(-n2cnnn2)ccc1Cl)[C@@H]1C[C@H]2CC[C@@H]1O2 70780520 RSOYYJLQJZKNON-BREBYQMCSA-N 319.752 1.822 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 14093872 PJLVYWQEMRSACA-CQSZACIVSA-N 309.753 1.999 0 40 DDAB CC(C)c1cccc(NC(=O)Cn2cnnc2[S@@](C)=O)c1 65501676 VSICQPCOOHPZOS-NRFANRHFSA-N 306.391 1.778 0 40 DDAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCO1 65622763 RQUOBVSUGSSNIZ-CQSZACIVSA-N 309.337 1.896 0 40 DDAB CC1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 4515982 JKADRNPAFRHSPA-DYVFJYSZSA-N 321.421 1.746 0 40 DDAB O=C(NC(=S)N[C@H]1C(=O)Nc2ccccc21)c1ccccc1 4554825 MVUXFLKCUBKKMB-CYBMUJFWSA-N 311.366 1.984 0 40 DDAB Cc1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 14266350 QZTRYGZVMPNWRQ-UHFFFAOYSA-N 305.309 1.390 0 40 DDAB O=C(O)COCC(=O)Nc1ccc(Br)cc1F 4784788 WSWJRRMUIUKCHC-UHFFFAOYSA-N 306.087 1.628 0 40 DDAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cn1 66759558 QZXZNKMOQOPXNK-JTQLQIEISA-N 320.349 1.646 0 40 DDAB O=C1NCCC[C@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 66811190 DZMFUJCTHMZBEN-CQSZACIVSA-N 309.373 1.718 0 40 DDAB CC(C)(NC(=O)CCCn1cncn1)C(=O)Nc1ccccc1 79049659 MEDAEMNQKZFNEN-UHFFFAOYSA-N 315.377 1.592 0 40 DDAB Cn1ncnc1CCNC(=O)c1cc(Cl)c(Cl)n1C 79070229 NQWOFDDYZJFBDQ-UHFFFAOYSA-N 302.165 1.433 0 40 DDAB OCCC1(NCCN2CCCc3ccccc32)CCOCC1 90564433 VYYVMEXVACQQOG-UHFFFAOYSA-N 304.434 1.960 0 40 DDAB CNC(=O)CC1CCN(C(=O)NCc2sc(C)nc2C)CC1 80706223 FRUUQRMVCHTOHX-UHFFFAOYSA-N 324.450 1.818 0 40 DDAB CC(=O)Nc1nc(C(=O)Nc2cc(N(C)C)ccn2)cs1 96010793 NOYYRRQEOCAYGZ-UHFFFAOYSA-N 305.363 1.815 0 40 DDAB C[C@H](NC[C@H]1CCCN(c2ncccn2)C1)c1cnn(C)c1 90973051 QQVSPBWGVITJEP-UONOGXRCSA-N 300.410 1.777 0 40 DDAB CN(Cc1coc2ccccc12)C[C@H](O)CN1CCOCC1 93583225 KDLJIHRTLXEKDC-HNNXBMFYSA-N 304.390 1.558 0 40 DDAB O=C(NC[C@H](O)CO)Nc1cc(F)ccc1Br 91180604 RHKKNICYJXCROY-ZETCQYMHSA-N 307.119 1.063 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2Cc2cnn(C)c2)s1 69491984 KKHHGCBMQCPBQH-RISCZKNCSA-N 319.386 1.964 0 40 DDAB CN1C[C@H](NC(=O)CCCC(=O)c2ccc(F)cc2)CC1=O 69440599 OYKLXHKSTPEVOW-CYBMUJFWSA-N 306.337 1.526 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN(C)Cc2cccn2C)cc1 93685938 NTZMTJTUYOIDBX-UHFFFAOYSA-N 321.446 1.744 0 40 DDAB CCN(C(=O)CN[C@@H]1CCCN(c2ccc(C)nn2)C1)C1CC1 71859782 LYXFOSFGWAPZRL-CQSZACIVSA-N 317.437 1.354 0 40 DDAB O=C1CCCN1CCSc1nncn1CCc1ccccn1 71893978 YOTCQXFABKGKRM-UHFFFAOYSA-N 317.418 1.630 0 40 DDAB CCCCN1CCC(NS(=O)(=O)C2CCOCC2)CC1 71890267 DEFRHPSATPCUPW-UHFFFAOYSA-N 304.456 1.349 0 40 DDAB CCc1noc([C@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 83830465 NVPCWEWBWFYWCX-ZUZCIYMTSA-N 321.381 1.098 0 40 DDAB Clc1ccc(-n2nnnc2CN2CCOCC2)cc1Cl 26067726 DXVLZRVZWXLZEZ-UHFFFAOYSA-N 314.176 1.801 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CCNC[C@H]1O 72152600 ZUVIOQFBSJUQRN-XJKSGUPXSA-N 301.390 1.187 0 40 DDAB COCCN1CCN(Cc2cnc(C(C)(C)C)s2)CC1=O 97052003 NEJIUVRBCGGHEH-UHFFFAOYSA-N 311.451 1.731 0 40 DDAB c1cnnc(N2CCC[C@H](NCc3cn4ccccc4n3)C2)c1 72276654 CSKUNDUUBXYPGW-AWEZNQCLSA-N 308.389 1.883 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)[C@@H](C)CO 72294170 IJTAGMJLSNBYLS-UWVGGRQHSA-N 309.366 1.792 0 40 DDAB Cn1ccs/c1=N\C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97109298 QUINYAYGESXXQI-QSJBWMMGSA-N 305.359 1.390 0 40 DDAB COc1ccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 72305711 LKJANQGFQQQVGK-UHFFFAOYSA-N 315.373 2.000 0 40 DDAB Cn1ncc(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)c1C(F)F 95427990 CCUHLVMYNHBXAV-OAHLLOKOSA-N 322.315 1.488 0 40 DDAB C[C@@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@H]1CCOC1 95960267 IZOGUZWJYPYFKF-WFASDCNBSA-N 312.435 1.392 0 40 DDAB CC(C)C[C@H](CO)NC(=O)NCc1ccnc(-n2ccnc2)c1 89821025 LOGROXJOVUDXIT-CQSZACIVSA-N 317.393 1.474 0 40 DDAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(CO)o1 89948952 ZPQHQDKSVZIFJN-BLLLJJGKSA-N 306.406 1.899 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1C 32770559 ZQCQOVYXIURIFK-SNVBAGLBSA-N 301.364 1.095 0 40 DDAB C[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccncc1 122433297 CLFZTNGFUUGAAC-CYBMUJFWSA-N 316.405 1.797 0 40 DDAB CC(C)(c1nnnn1-c1ccc(Cl)cc1)N1CCOCC1 35622215 UQERDAVOFKGXJO-UHFFFAOYSA-N 307.785 1.883 0 40 DDAB O=C(NCc1ccccc1CO)C(=O)Nc1cc(F)ccc1F 78978989 GWMKGJVPUMKIIS-UHFFFAOYSA-N 320.295 1.712 0 40 DDAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCN1CCOCC1 38754378 VQSZPRORCDVAIB-HNNXBMFYSA-N 310.369 1.432 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(C)cc2)n1 33744756 WALFSESREGOWFV-UHFFFAOYSA-N 318.406 1.908 0 40 DDAB Cc1nc(C(C)(C)NCCN2C(=O)NC(C)(C)C2=O)sc1C 72865543 CLZGZPHDMXBPQT-UHFFFAOYSA-N 324.450 1.915 0 40 DDAB CCCCCC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 39559111 UYUGKVIXCRESJX-UHFFFAOYSA-N 304.350 1.491 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)C(=O)O 218555272 LNQLJRDDAPTSHC-NQBHXWOUSA-N 317.794 1.270 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218470702 NSWHTGUSYRGYPH-JYJNAYRXSA-N 311.447 1.741 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241906 ROWZVAPHBYRCDC-HOCLYGCPSA-N 322.380 1.888 0 40 DDAB CCOC(=O)c1cc(N)c(Sc2nncn2N)c(Cl)c1 70462538 VOXSAGBDDCRYBO-UHFFFAOYSA-N 313.770 1.555 0 40 DDAB COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953091 ZDQKNIPNKWMNNQ-HZMBPMFUSA-N 310.375 1.058 0 40 DDAB Cc1noc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 44226807 OEDXWUMEZOXPNX-NSHDSACASA-N 300.318 1.047 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)NCCOc1ccc(F)cc1 225648685 NUBRMLOPXHVMNV-UHFFFAOYSA-N 320.320 1.342 0 40 DDAB O=C(O)c1[nH]nnc1[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 1574423787 WDLQYVNNKWKVOH-ZRUFSTJUSA-N 304.350 1.603 0 40 DDAB COC(=O)C1(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)CC1 135310953 UGYIARUWDKGYTB-UHFFFAOYSA-N 317.320 1.581 0 40 DDAB CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(F)cc1F 132507166 WOYNLHJVZNYLTL-SECBINFHSA-N 321.345 1.925 0 40 DDAB Cc1cnn(CCC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1 328707552 LVGRMISVTFQHHD-HUUCEWRRSA-N 319.405 1.568 0 40 DDAB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 229793898 JNJUYMAVYLYJRG-LZDSYCOUSA-N 313.309 1.608 0 40 DDAB CC(C)N(C[C@@H]1CCCN(CC(N)=O)C1)C(=O)OC(C)(C)C 48273909 ZKWFDPCSFAJGKP-CYBMUJFWSA-N 313.442 1.829 0 40 DDAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1O[C@H](C)C[C@H]1C 571526452 UDVPMRUIWACGJL-UEKVPHQBSA-N 321.373 1.866 0 40 DDAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223254217 IRIOAENNHLUQDV-CABCVRRESA-N 315.446 1.944 0 40 DDAB O=C(Cn1nnc(-c2ccco2)n1)NC[C@@H]1C[C@H]1c1ccccc1 95394781 CMBBZSORDAXJRI-KBPBESRZSA-N 323.356 1.853 0 40 DDAB Cc1cc(C)n2c(CN3CCCC4(C3)OCCO4)cnc2n1 97377064 CPIJLTXJEHORLY-UHFFFAOYSA-N 302.378 1.685 0 40 DDAB CCn1cc(CN2CCN(c3cncc(OC)n3)CC2)cn1 93477343 VGKNEXPWODPYRH-UHFFFAOYSA-N 302.382 1.024 0 40 DDAB C[C@@H](CN1CCN2C(=O)C(=O)NC[C@H]2C1)c1cccc(Cl)c1 230310527 CMVIANPZDWKALS-FZMZJTMJSA-N 321.808 1.086 0 40 DDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)c4cnoc4C)C[C@H]23)n1 96215594 NZBZRFXTMOZVHP-RAIGVLPGSA-N 318.333 1.004 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCCNC1=O 96415350 WSNITTYIPLGXET-NOZJJQNGSA-N 308.382 1.190 0 40 DDAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccncc1 96098594 GINNJIXEEMMQPM-UHFFFAOYSA-N 313.361 1.577 0 40 DDAB CCO[C@H]1C[C@H](N(C)C(=O)CNC(=O)C2CC2)C12CCCC2 96419406 NWSBLHHHZSLRPM-KBPBESRZSA-N 308.422 1.709 0 40 DDAB CCN(CC)CC(=O)Nc1cccc(CS(C)(=O)=O)c1C 96408625 BIKAONAMYQCQFA-UHFFFAOYSA-N 312.435 1.820 0 40 DDAB CC(C)n1cc(N2C[C@H](C(=O)Nc3ccncc3)CC2=O)cn1 96192151 DUOJXSHPEBLVPI-GFCCVEGCSA-N 313.361 1.851 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(N)=O)c(F)c1 96415033 WLQBWKRLIFQZJQ-NSHDSACASA-N 314.382 1.553 0 40 DDAB CCS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccccc2)C1 96253407 YUFPCFBZHGRQDZ-HZSPNIEDSA-N 324.402 1.064 0 40 DDAB CN(C)C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccs2)C1 96227710 HQWVXZZQTGQCMN-WFASDCNBSA-N 307.419 1.758 0 40 DDAB OCCN1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 96239826 LNYSFXWCMMFJOD-HNNXBMFYSA-N 311.376 1.607 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 257265688 LZWCDABZQQOTHU-SFHVURJKSA-N 302.418 1.243 0 40 DDAB CCc1ccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)cc1 256049138 YJMLEFBFXDUBMR-UHFFFAOYSA-N 315.377 1.280 0 40 DDAB O=C(Cc1cccs1)N1CCOC[C@H]1CCc1cnccn1 257281800 ORAYLSOWKRWHFQ-CQSZACIVSA-N 317.414 1.941 0 40 DDAB c1cnc(N2CCC3(CC2)CO[C@H](Cc2cnccn2)C3)nc1 257205411 AYWXFZURPLXDBE-OAHLLOKOSA-N 311.389 1.885 0 40 DDAB Cc1cc(C(=O)Nc2nc(C(=O)Nc3cccnc3)co2)no1 90583036 ASCKTWDRZJRPRS-UHFFFAOYSA-N 313.273 1.871 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1Cc1cnn(C(C)C)c1 585094597 DODPQUSXZNNKCS-AWEZNQCLSA-N 303.410 1.771 0 40 DDAB CO[C@@]1(COc2cccc(C)c2)CCCN(S(C)(=O)=O)C1 585273757 DTIYPBHAAFRAAS-HNNXBMFYSA-N 313.419 1.814 0 40 DDAB CCCN(C)c1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 69161003 ABHUAKNVLJMVPC-ZDUSSCGKSA-N 324.446 1.697 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCCN([C@H]2CCOC2)CC1 1565522179 KBGIJIGUWNRTCH-INIZCTEOSA-N 306.381 1.691 0 40 DDAB CC1=CCN(CCNC(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)CC1 570679986 FJFVIWIITSJOMI-KBPBESRZSA-N 309.410 1.391 0 40 DDAB CCN(CC)CCOC(=O)CCC(=O)OCCN(CC)CC 5453480 JMNXSGBHXOVUMI-UHFFFAOYSA-N 316.442 1.537 0 40 DDAB CCc1c(C)nc(SCC(=O)Nc2nccs2)[nH]c1=O 5877164 VQMCEPZPQJQBMU-UHFFFAOYSA-N 310.404 1.828 0 40 DDAB O=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1ccco1 12184864 HCBLFMQZSVOOJN-GFCCVEGCSA-N 314.345 1.352 0 40 DDAB COC(=O)[C@H](C)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 12648547 QDXPEJJDZLXRNQ-VXGBXAGGSA-N 300.399 1.785 0 40 DDAB O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)C2CC2)cc1 13854725 JFYPEBDALFFGGC-UHFFFAOYSA-N 315.373 1.291 0 40 DDAB O=C(OCCN1CCCC1=O)c1cncc(Br)c1 3287054 SBIABQITXGTHRR-UHFFFAOYSA-N 313.151 1.623 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC2CC2)C1=O 26200246 AETUPLKMOLRBCZ-QGZVFWFLSA-N 315.373 1.370 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(N2CCCCCC2)nc1 29755223 DBTQSSUMAXCZEB-UHFFFAOYSA-N 304.394 1.328 0 40 DDAB CN(C)S(=O)(=O)NCCc1csc(-c2ccccc2)n1 36104351 TWRGPPJQJRNYFC-UHFFFAOYSA-N 311.432 1.749 0 40 DDAB Cc1cccc(OC[C@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 1775995948 OJFVJGPTQHPJGW-ZDUSSCGKSA-N 310.419 1.973 0 40 DDAB CN1C[C@H]2CN(Cc3cc(F)cc(F)c3)CC[C@@H]2OCC1=O 2037984036 NXYPORWUSZNIKA-WFASDCNBSA-N 310.344 1.644 0 40 DDAB Cc1cc(N2CCO[C@H]3CN(Cc4cc(C)[nH]n4)C[C@@H]32)ccn1 2056224341 YVAPKMLOPWPFOH-IRXDYDNUSA-N 313.405 1.511 0 40 DDAB CN(C)[C@H]1COC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1614933112 FTEDGCPNWAVVBD-GFCCVEGCSA-N 302.365 1.743 0 40 DDAB O=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)Nc1ccccc1 4313394 QNCFMSRWTHRVNU-UHFFFAOYSA-N 321.336 1.638 0 40 DDAB COc1ccc(-c2nnc(NC(=O)c3ccno3)o2)cc1OC 10254164 FLOKBETYHAXXJP-UHFFFAOYSA-N 316.273 1.994 0 40 DDAB Cc1cc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)no1 13806310 IKJVUQHHKQHFSS-UHFFFAOYSA-N 310.313 1.845 0 40 DDAB O=S(=O)(c1cccc(Cl)c1)N1CC(Cn2ccnn2)C1 1775967952 HRGYQCAIAKQJAH-UHFFFAOYSA-N 312.782 1.252 0 40 DDAB NC(=O)CN1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2086869131 WCQROZYBDGFIRR-MWLCHTKSSA-N 314.311 1.096 0 40 DDAB Cc1ccnc(N2CCN(Cc3nc(C(C)C)no3)CC2)n1 2086882999 QBICLUQHHYDPAY-UHFFFAOYSA-N 302.382 1.614 0 40 DDAB Cn1ccc2ccn(CCNC(=O)/C=C/c3ccco3)c(=O)c21 575414642 GNMXVVHOEPKKFQ-SNAWJCMRSA-N 311.341 1.763 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccn3)c2)C1 72239016 VEFGFMFVDHIASM-GFCCVEGCSA-N 306.391 1.688 0 40 DDAB C[C@]1(C(=O)NCCC(=O)O)CS[C@@H]2c3ccccc3C(=O)N21 36576443 LHWYLFQJRUVDCM-UKRRQHHQSA-N 320.370 1.237 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ccnc3ccccc23)C1 131353398 JQHXYPZOEMUTSU-LBPRGKRZSA-N 305.403 1.753 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)nc2)cc1 40498989 RGDCUHCDEYSPME-UHFFFAOYSA-N 319.386 1.228 0 40 DDAB NC(=O)[C@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccccc1 40497241 MJNAYKHEGXSGPG-CQSZACIVSA-N 309.329 1.140 0 40 DDAB CCNC(=O)CNC(=O)Nc1ccc(Br)cc1F 40525816 HRFYUCHHTGJXJU-UHFFFAOYSA-N 318.146 1.846 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 31815739 FRPPTPDWLRYOFA-CQSZACIVSA-N 314.389 1.707 0 40 DDAB CCOC(=O)N1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 20745368 CVKAWJPIVYIGDA-UHFFFAOYSA-N 318.381 1.526 0 40 DDAB COc1ccc(OCC(=O)N2CCCC[C@@H]2C)c(C(N)=O)c1 51970642 OFKUJZCZKSFDCY-NSHDSACASA-N 306.362 1.574 0 40 DDAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NC)cc2c1 419607 XNTUNEFLZGNFBT-UHFFFAOYSA-N 319.430 1.389 0 40 DDAB CCn1cnn(CN2CCC(NC(=O)C3CC3)CC2)c1=S 29586817 LZAAYGBAZSGNRH-UHFFFAOYSA-N 309.439 1.382 0 40 DDAB COC(=O)N1CCC[C@@H](NC(=O)NCCc2ccccc2)C1 69451708 ZSNBOICEHSNIFP-CQSZACIVSA-N 305.378 1.759 0 40 DDAB CC(=O)c1ccc(NC(=O)C[C@H](C(=O)O)N2CCOCC2)cc1 2698065 NXXSFKRJSVQGSF-CQSZACIVSA-N 320.345 1.003 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1 2644351 UQWVGWGUTHRBLP-UHFFFAOYSA-N 324.789 1.917 0 40 DDAB C[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(=O)N(C)C 32925429 OTLSLNCLOKUPNF-NSHDSACASA-N 308.403 1.370 0 40 DDAB O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O 52717847 CUXVZBKACXOPQE-AWEZNQCLSA-N 302.374 1.913 0 40 DDAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(=O)[nH]c(=O)[nH]1 8186166 NVSPKZWLXZFKFJ-UHFFFAOYSA-N 300.101 1.622 0 40 DDAB Cn1cnn(CN2CCN(Cc3ccsc3)CC2)c1=S 21998236 JXPQIDARJHRJPO-UHFFFAOYSA-N 309.464 1.788 0 40 DDAB O=C1C[C@H](n2nnnc2-c2ccccc2Cl)[C@H]2CO[C@H]1O2 103004454 ZILWLYWWNDPPOD-NDMJEZRESA-N 306.709 1.249 0 40 DDAB biogenic,in-vitro C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)N1CCCC1 57997229 LXPWTQFXCDJTHZ-JTQLQIEISA-N 305.334 1.548 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN2CCN(CCO)CC2)cc1C 22943359 XZSCUXUHIINYSP-MRXNPFEDSA-N 319.449 1.091 0 40 DDAB CC1(C)CC(NC(=O)c2ccc3[nH]nnc3c2)CC(C)(C)N1 54130823 BQKWDWZEBXIGCZ-UHFFFAOYSA-N 301.394 1.997 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCO[C@@H](C)C1 47303899 LQJQPRJSYPKNFP-VIFPVBQESA-N 304.375 1.769 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)no1 23467685 ZRKJVQRCWCCOAV-CYBMUJFWSA-N 318.377 1.721 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1c(O)cccc1F 76083484 GTXWKWDGBNKPFO-UHFFFAOYSA-N 313.292 1.688 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2 25694845 GFIGPWHKZPAELV-UHFFFAOYSA-N 322.346 1.158 0 40 DDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2)CC1 12542529 BOKSEYSHAXDUMU-CYBMUJFWSA-N 316.405 1.185 0 40 DDAB O=S1(=O)C[C@H](N2CCC3(CC2)OCCO3)c2ccccc21 57238685 CEGJYURDKRAPBI-ZDUSSCGKSA-N 309.387 1.354 0 40 DDAB COCCN1CC2(CCN(Cc3c[nH]c(C)n3)CC2)CC1=O 108532485 KHUWWHYRNYRLSH-UHFFFAOYSA-N 306.410 1.179 0 40 DDAB Cn1ccc(NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)n1 102830161 HGMWLKPPDBUOBN-UHFFFAOYSA-N 315.358 1.208 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCNc1ncccn1 48010160 HNRJAHNLDKUBTB-RISCZKNCSA-N 314.345 1.233 0 40 DDAB CN(Cc1cccs1)C(=O)CSc1nc2ncccn2n1 10074214 IIMKBRDISOAMFU-UHFFFAOYSA-N 319.415 1.937 0 40 DDAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ncccn1 58158488 BIASNYGSAHDCQP-UHFFFAOYSA-N 321.402 1.785 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)CN(C)C(=O)c2cccs2)C1 58216109 JCGQCDMNVCQKAG-CYBMUJFWSA-N 323.462 1.667 0 40 DDAB Cc1cc(-c2nnn(CC(=O)N[C@H](C)C3CC3)n2)ccc1F 58291167 LOMHDXSNRTXBCD-SNVBAGLBSA-N 303.341 1.702 0 40 DDAB CNC(=O)C1(NS(=O)(=O)c2ccc(F)cc2C)CCCC1 58265758 PWXYGRIXRVBGIL-UHFFFAOYSA-N 314.382 1.471 0 40 DDAB Cc1ccccc1[C@H]1CCCN1CCS(=O)(=O)CCC(N)=O 44978099 PJVOXHBRWDBJRP-OAHLLOKOSA-N 324.446 1.422 0 40 DDAB O=C(Nc1nnc(C2CC2)s1)N1CCN(CC2CC2)CC1 44972441 RQEGWGDSWGDNIO-UHFFFAOYSA-N 307.423 1.975 0 40 DDAB COc1ncccc1CNC(=O)NC[C@@H](c1ccco1)N(C)C 44949255 GFWLKNOMZALLFR-ZDUSSCGKSA-N 318.377 1.785 0 40 DDAB O=C(NC1Cc2ccccc2C1)C1(n2cnnn2)CCCCC1 36357554 DUEJDWRHQSQYJL-UHFFFAOYSA-N 311.389 1.616 0 40 DDAB COc1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)cc1F 28437731 IPTNQEAOTYQLNY-UHFFFAOYSA-N 304.321 1.805 0 40 DDAB CC(=O)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 12733101 QXOJQMRUYZUAOT-UHFFFAOYSA-N 316.336 1.316 0 40 DDAB CC(C)Oc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 48308818 JTHPTKYWLKUTAU-SSDOTTSWSA-N 318.424 1.637 0 40 DDAB COc1ccccc1CNC(=O)c1c(C)oc2nc[nH]c(=O)c12 8424740 VKLMEZBJIBBEBU-UHFFFAOYSA-N 313.313 1.763 0 40 DDAB FC(F)(F)c1nnc2ccc(NCc3nnc4n3CCC4)nn12 12903311 BLCDCGHFHBQHSO-UHFFFAOYSA-N 324.270 1.293 0 40 DDAB CCN(CC)CC(CN(CC)CC)N(CCO)CC(C)C 22581249 SVENEDWHTMIYBJ-UHFFFAOYSA-N 301.519 1.989 0 40 DDAB CCOc1cccc([C@@H](C)NC(=O)NCCN2CCOCC2)c1 63399067 JERQHBCMRIIXHJ-CQSZACIVSA-N 321.421 1.778 0 40 DDAB CCOCCN1CCN(Cc2cccc(C(N)=O)c2)C[C@@H]1C 69818899 SRHDYKISPPDCAU-AWEZNQCLSA-N 305.422 1.328 0 40 DDAB COc1ccc(OC)c(N2C[C@H](C(=O)N(C)C3CC3)CC2=O)c1 63728547 SIWCMYQDDWZGFN-LLVKDONJSA-N 318.373 1.678 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1noc(-c3ccccc3)n1)CC2 69739160 FXAKBCWPLCKRHD-ZDUSSCGKSA-N 324.388 1.995 0 40 DDAB COC(=O)CCCCCNC(=O)N1CC(=O)Nc2ccccc21 13549527 BOESIYGJVVIRSW-UHFFFAOYSA-N 319.361 1.888 0 40 DDAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cnccn1 13714324 JXFJFTPJPBXGGD-UHFFFAOYSA-N 310.357 1.894 0 40 DDAB Cc1cc(C)cc(C2(C(=O)N3CCCN(C(N)=O)CC3)CC2)c1 69918088 BGJWLICKJFRPES-UHFFFAOYSA-N 315.417 1.948 0 40 DDAB O=C(O)C[S@@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 5249082 JRFTZOQBJKTCJV-HXUWFJFHSA-N 309.265 1.477 0 40 DDAB Cc1ccccc1C[C@H](C)NC(=O)Nc1cnn(CC(N)=O)c1 65422884 RCYRPGZSHFDELA-LBPRGKRZSA-N 315.377 1.430 0 40 DDAB CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 65440335 OMNGZWLHGASEIE-UHFFFAOYSA-N 321.377 1.141 0 40 DDAB CCc1noc(CS(=O)(=O)[C@H](C)c2nc(C3CC3)no2)n1 65564463 WGGOGHOPXCNUCF-SSDOTTSWSA-N 312.351 1.568 0 40 DDAB COC(=O)[C@@H](C)Sc1nnc(NC[C@H]2CCCO2)s1 65553161 HDSMPRSLLRVARK-HTQZYQBOSA-N 303.409 1.783 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1Cl 4504679 WBYCQGZYROFLQE-QMMMGPOBSA-N 308.186 1.910 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1C 7236528 JHKIEHRWPDOAHZ-QMMMGPOBSA-N 323.378 1.320 0 40 DDAB CC(C)n1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8992940 IFRRATUCGOXRGM-UHFFFAOYSA-N 317.393 1.565 0 40 DDAB O=C(NCCCn1cccn1)c1cnn(Cc2ccccc2)c1 28573339 QSXFOEIYBGZALT-UHFFFAOYSA-N 309.373 1.948 0 40 DDAB Cc1ccc(SCCNC(=O)CSc2nnnn2C)cc1 7757682 PUDVFUVGZAUDNQ-UHFFFAOYSA-N 323.447 1.519 0 40 DDAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCOCC1 68883134 VADYYGKCIRZCTM-UHFFFAOYSA-N 312.369 1.357 0 40 DDAB COCc1ccc(C(=O)N(C)CC(=O)NCc2ccco2)cc1 8392034 RRFCVESZDZVJOR-UHFFFAOYSA-N 316.357 1.814 0 40 DDAB CC(C)NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 9836327 IOCKHUQBTHNCRT-SECBINFHSA-N 321.402 1.374 0 40 DDAB CCNC(=O)NC1(C(=O)NCCCC(=O)OCC)CCCC1 71824166 LMAGILRMEBPIRG-UHFFFAOYSA-N 313.398 1.078 0 40 DDAB CCN1CCO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1 72268798 SLMWNSAMOVVMFH-SFHVURJKSA-N 314.433 1.742 0 40 DDAB O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCN(CCO)CC1 78783412 HKTMKVGTKRUYPE-UHFFFAOYSA-N 321.808 1.500 0 40 DDAB O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ncccc1O 97102520 PXNKNCXFUGWWCL-SNVBAGLBSA-N 312.247 1.668 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(-c3ccccc3)on1)CC2 97198224 SYPBEORJGWGANK-ZDUSSCGKSA-N 323.356 1.986 0 40 DDAB CC(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 84753051 NBCTWURAAXQCOE-OAHLLOKOSA-N 304.390 1.806 0 40 DDAB CC[C@@H](C)CS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 84721704 DTJDXHNMXRUOGO-ZIAGYGMSSA-N 304.456 1.016 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c(C)s1 95432923 KBZNUKQGMWZNNI-MRVPVSSYSA-N 303.327 1.566 0 40 DDAB CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)co1 95439590 PODDWZAUOQJOKA-RYUDHWBXSA-N 324.402 1.568 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)c1ccnn1C)c1cccs1 95943164 SJNDFNKCGHSGBT-SNVBAGLBSA-N 314.436 1.063 0 40 DDAB CC[C@H](C)n1cnc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)c1 95972642 QMMMWRCCMOGLSI-YNEHKIRRSA-N 314.455 1.650 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1Cc2ccccc2C1 95940953 PAXHDZYHLVQTMG-OAHLLOKOSA-N 322.430 1.084 0 40 DDAB O=C(Nc1cnn(CC(F)F)c1)c1cc2c([nH]c1=O)CCCC2 75140296 PHPQDNPFSAXCPK-UHFFFAOYSA-N 322.315 1.968 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)c1ccc(C)[nH]c1=O 75123903 SFFCSQXKFZNRDR-ZDUSSCGKSA-N 302.330 1.155 0 40 DDAB CCN1CCO[C@H](CNCc2cc3c(cc2OC)C[C@H](C)O3)C1 75133614 UCUGCTTVXFMABX-XJKSGUPXSA-N 320.433 1.829 0 40 DDAB Cc1ccc(C(=O)NCc2ccn(-c3ccccc3)n2)c(=O)[nH]1 75121757 JJZJPSFPCWDIJC-UHFFFAOYSA-N 308.341 1.799 0 40 DDAB O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc2nnnn2c1 170622151 QOXGZRZVWISVPL-JSGCOSHPSA-N 314.393 1.119 0 40 DDAB O=C(NCCCCCO)C(=O)NCCc1ccc(Cl)cc1 408709677 FGMRINIGPLBSQX-UHFFFAOYSA-N 312.797 1.278 0 40 DDAB CC[C@@H](CCNS(=O)(=O)c1cnn(C)c1C)n1cccn1 36615141 AVLAWQXRRYDGJX-LBPRGKRZSA-N 311.411 1.245 0 40 DDAB O=C(NCCCc1nnc(-c2ccc3c(c2)OCO3)o1)C1CC1 521393862 LCAZDWUGPUGYJY-UHFFFAOYSA-N 315.329 1.924 0 40 DDAB Cc1cn2nnc(C(=O)NCc3cc(F)ccc3F)c2c(O)n1 75164003 KBHOZQJUFBDYLQ-UHFFFAOYSA-N 319.271 1.347 0 40 DDAB NC(=O)CSc1nnc(-c2ccccc2)n1C[C@H]1CCCO1 35292012 MPQFQBLCAGAVDJ-GFCCVEGCSA-N 318.402 1.702 0 40 DDAB CN(CC(=O)NCCc1nc2cc(F)ccc2n1C)C1CC1 77005093 UHTMHQSPZJXJSH-UHFFFAOYSA-N 304.369 1.465 0 40 DDAB CC(=O)N1CCC(Cc2cnc(NCCN(C)C)cn2)CC1 72364997 LBEIMGPICWFDBM-UHFFFAOYSA-N 305.426 1.251 0 40 DDAB COCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 78999691 ICDRMWGKBMAKCQ-KKUMJFAQSA-N 310.438 1.956 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC[C@@H]2CCCO2)C1 189144278 ZXFBOJQCSICIKO-KFWWJZLASA-N 318.483 1.595 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](N)[C@@H]1c1ccc(Br)cc1 218209195 WUZBETBPAMOOCP-DCAQKATOSA-N 304.209 1.677 0 40 DDAB O=C(OCc1ccccc1)N1CC[C@@H](N(CCO)C2CC2)C1 79391736 MPLZXPFHZSHZDQ-MRXNPFEDSA-N 304.390 1.854 0 40 DDAB O=C(N[C@]1(CO)COc2ccccc2C1)[C@H]1CC1(Cl)Cl 529819517 JEXUBKVAIZEXMV-ZWNOBZJWSA-N 316.184 1.663 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(CC(N)=O)cs2)c1 44889203 BCZJSBOSPQZASB-SNVBAGLBSA-N 319.386 1.885 0 40 DDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccccc1F)C(=O)N2 40386745 JWSWACRAXGITJE-SECBINFHSA-N 303.297 1.323 0 40 DDAB CCc1noc([C@@H]2CCCN(C(=O)c3cnn(CC)c3)C2)n1 46087158 QEUMCTNVSNCHLR-LLVKDONJSA-N 303.366 1.868 0 40 DDAB CCCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224402641 MOFDVFGBLSXMIG-UHFFFAOYSA-N 316.398 1.504 0 40 DDAB CC(C)c1nnc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)s1 528522989 XHQVWCLKWGZCFW-GHMZBOCLSA-N 315.464 1.813 0 40 DDAB Cc1cc(C)n2nc(S(=O)(=O)Cc3cnc(C)s3)nc2n1 195091874 HKISMXKAMQJVDM-UHFFFAOYSA-N 323.403 1.480 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 96058247 VEWGRNUQWCGOMT-RCBQFDQVSA-N 304.390 1.928 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccnc3)[C@H]2C1 96080539 MELNVZCADVRWRF-JSGCOSHPSA-N 300.387 1.495 0 40 DDAB O=C(c1ccco1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 96081442 PYCSINURTPVWFW-RRFJBIMHSA-N 304.390 1.853 0 40 DDAB CC(C)N1C(=O)C(=O)N(C[C@H]2CCc3ccccc3C2)C1=O 97376708 JLCQFPHLCYINIK-LBPRGKRZSA-N 300.358 1.991 0 40 DDAB CC(C)OC[C@]12CCCO[C@H]1CCN(C(=O)c1ccncn1)C2 96040543 NOXUNOZVBVPFGR-DOTOQJQBSA-N 319.405 1.913 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2CC[C@H](CSC)C2)c1C 96428190 XBLDIPRNMOYQMI-LBPRGKRZSA-N 317.480 1.893 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1nnc3ccccc31)C2 97198042 RBAKMYWALHQSIN-GFCCVEGCSA-N 310.361 1.067 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 96064681 NJKBULWLDKODKM-KBPBESRZSA-N 301.390 1.641 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1cc(C)cc(C)c1 96081198 DJRPVBMIKUIATA-JKSUJKDBSA-N 316.401 1.765 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 96049747 FRMQNLYFNOOFBE-QGZVFWFLSA-N 319.405 1.033 0 40 DDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccco1 96447579 REAAXOJDZTUTQV-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1Cl 96420325 XZEZGAVXDFMGNK-GWCFXTLKSA-N 310.781 1.946 0 40 DDAB Cn1nccc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 96501910 GTCGCAKKIFGPJW-UHFFFAOYSA-N 317.317 1.865 0 40 DDAB Cn1cccc1[C@@H]1COCCN1Cc1nnnn1-c1ccccc1 97379627 VOTBRMARFYGUGQ-INIZCTEOSA-N 324.388 1.574 0 40 DDAB CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCC1(CO)CC2(CCC2)C1 330336628 SOPCHAOQTIILBL-UONOGXRCSA-N 315.479 1.875 0 40 DDAB Cn1cc(CN2CCC[C@]3(CCN(c4nncs4)C3)C2)cn1 96217272 VGQITURKLHPDEZ-HNNXBMFYSA-N 318.450 1.764 0 40 DDAB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cn1 96182393 UNFRSBDBXCOQTB-GASCZTMLSA-N 309.373 1.388 0 40 DDAB COCCN1CC[C@]2(CN(Cc3cccnc3)C[C@H]2C)C1=O 96201656 OJWWUHWUHFAHKI-RHSMWYFYSA-N 303.406 1.398 0 40 DDAB COC(=O)c1oc(Cn2c(-c3ccccn3)noc2=O)cc1C 96455721 YAZNUVVBRIVFPX-UHFFFAOYSA-N 315.285 1.635 0 40 DDAB O=C(Cc1cccs1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 96183927 SJRAOLVMGMSQJQ-KGLIPLIRSA-N 304.415 1.902 0 40 DDAB CN(CCOc1cccc(F)c1)C(=O)c1cc(C(N)=O)c[nH]1 96454205 ZBGZDUJWHDYEMV-UHFFFAOYSA-N 305.309 1.404 0 40 DDAB CCOc1nccn2c(CNC(=O)/C=C\c3cccnc3)nnc12 253472542 NKPUTCNIEYCCOJ-WAYWQWQTSA-N 324.344 1.248 0 40 DDAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3cnccn3)C2)s1 257343859 ZURMFQNPVVFSPZ-LBPRGKRZSA-N 304.375 1.764 0 40 DDAB O=S(=O)(NC[C@](O)(c1ccoc1)c1cccs1)C1CC1 253471113 BGHCKDCFXAYFGO-ZDUSSCGKSA-N 313.400 1.659 0 40 DDAB CCn1cc(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)c(C)n1 257263014 LNZODJAEZCYCIZ-CYBMUJFWSA-N 303.366 1.457 0 40 DDAB COc1nc(OC)nc(N2CCC[C@@H](c3cnccn3)C2)n1 257218543 DDMWEUOEQJFRHM-SNVBAGLBSA-N 302.338 1.063 0 40 DDAB Cc1ccc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)cn1 257280581 OLLMFFRNSSYJTJ-INIZCTEOSA-N 314.389 1.719 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CN1CCC(C)CC1 257311485 UJRAFJOQVBCWFT-CQSZACIVSA-N 306.410 1.350 0 40 DDAB COc1cc(CCC(=O)N2CCO[C@@H](c3cnccn3)C2)on1 257236975 HERBKVPPLLABSH-CYBMUJFWSA-N 318.333 1.006 0 40 DDAB CC(=O)N1CCN(CC2(O)CCOCC2)[C@@H](c2ccccc2)C1 257206153 BCBUOOLLZNKLGB-QGZVFWFLSA-N 318.417 1.433 0 40 DDAB C[C@@H]1CCCCN1Cc1nnc(CN2CCCC[C@H]2C)n1N 260571845 DROOCPPBMWYJOT-ZIAGYGMSSA-N 306.458 1.741 0 40 DDAB CO[C@]1(COc2ccccc2)COCCN(Cc2ncc[nH]2)C1 585275472 FEQKMPYJNNFZBT-KRWDZBQOSA-N 317.389 1.706 0 40 DDAB CCCNC(=O)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101171 KXVKDXFJPUMLJI-KRWDZBQOSA-N 316.405 1.719 0 40 DDAB Cn1cncc1-c1cncc(C[C@H]2CCN(c3ncccn3)C2)n1 585261126 DREGEDKRMFRWGK-CYBMUJFWSA-N 321.388 1.736 0 40 DDAB C[C@H]1CNCCN1S(=O)(=O)c1ccccc1Br 54371105 MWSFFLGDOZGMRD-VIFPVBQESA-N 319.224 1.432 0 40 DDAB CS[C@H](C)C(=O)N1CCC(NC(=O)c2ccncc2)CC1 58245315 OIMPLXVLOXZYPT-LLVKDONJSA-N 307.419 1.554 0 40 DDAB CCOc1ccccc1OC1CCN(CC(=O)NC(N)=O)CC1 58440222 IQJLGQBTMMAYLA-UHFFFAOYSA-N 321.377 1.123 0 40 DDAB COCC[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)s1 178735028 JQNOLGIUVCLIPH-JTQLQIEISA-N 313.828 1.467 0 40 DDAB COC(=O)c1cc2c(=O)n(-c3nccs3)ccc2nc1C 12323098 NBVQKUGKMQUWCI-UHFFFAOYSA-N 301.327 1.937 0 40 DDAB COc1cc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)ccc1O 19962515 LIUGCFGVAQSTOG-SNVBAGLBSA-N 302.290 1.284 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C[C@@H](C)O1 13959602 QNJBJGHUIYZSTG-AOOOYVTPSA-N 323.418 1.670 0 40 DDAB Cc1ccc(-c2nnc([C@H]3CCCN(CC(N)=O)C3)o2)cn1 19215089 QMENBVLCYOYLEP-LBPRGKRZSA-N 301.350 1.105 0 40 DDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN=c2[nH]c(C)ncc2C)on1 574770283 IMERRSMUCLXONL-KBPBESRZSA-N 319.384 1.836 0 40 DDAB Cc1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 3531494 PJJBQQUUIJABMV-GFCCVEGCSA-N 313.444 1.699 0 40 DDAB CCCCC(=O)NCCS(=O)(=O)N1CCc2ccccc21 10875122 MYKKBRBLTSVGJX-UHFFFAOYSA-N 310.419 1.685 0 40 DDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(C)(=O)=O)C2)nn1 1888853263 IQHMSJVDXQOBKY-LLVKDONJSA-N 313.423 1.434 0 40 DDAB c1coc(-c2ccc(N3CCN(c4nncs4)CC3)nn2)c1 1888921840 KPRXQBJVCHNGTH-UHFFFAOYSA-N 314.374 1.915 0 40 DDAB Cn1nccc1C(=O)N1CC[C@H](COc2ccc(F)cn2)C1 1889128321 QPCBACZOVULXPL-NSHDSACASA-N 304.325 1.495 0 40 DDAB Cn1ncc(NS(=O)(=O)c2ccc(Cl)s2)c1C(=O)O 538741950 AAYYENZQUPRRQX-UHFFFAOYSA-N 321.767 1.634 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H]3C[C@]32C(=O)N2CCCC2)cn1 2056225206 IASUNEQBLPYJMM-CXAGYDPISA-N 315.373 1.317 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CN1c1cccnc1 1565546761 ACMTVPWZJZDVQR-AAEUAGOBSA-N 303.337 1.395 0 40 DDAB O=C1[C@@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CCN1c1cccnc1 1565546211 WRBXMPMKJLGYFY-TZMCWYRMSA-N 317.364 1.785 0 40 DDAB O=C(C[C@@H](NCCO)C(=O)O)Nc1cc(Cl)cc(Cl)c1 4939804 IFYUMCRFSLHNJZ-SNVBAGLBSA-N 321.160 1.357 0 40 DDAB CNC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CCC2 5055744 UCBJRTMFEGKORQ-UHFFFAOYSA-N 308.359 1.423 0 40 DDAB CCCS(=O)(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 9037667 MGLYCJRALVVNBS-CQSZACIVSA-N 310.419 1.365 0 40 DDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccco1)NC(=O)N2 38671273 XOKOLUCONPVKQE-SNVBAGLBSA-N 304.306 1.154 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1cccs1 75156010 FGWDRQFTMFCXCK-SNVBAGLBSA-N 310.400 1.276 0 40 DDAB CN(C)c1nc(CN2CCOC[C@H]2c2cccn2C)ns1 97379610 RHMNHMVDCIZTPJ-LBPRGKRZSA-N 307.423 1.516 0 40 DDAB C[C@@H]1CCO[C@@]2(O1)C(=O)N(CN1CCOCC1)c1ccccc12 27903050 ISQFMGIREOXAJJ-DYVFJYSZSA-N 318.373 1.301 0 40 DDAB O=C(O)COc1cc2c(cc1Br)OCC(=O)N2 55104340 DAPNBFOGZXKZBL-UHFFFAOYSA-N 302.080 1.243 0 40 DDAB COC(=O)c1cc(NC(=O)C(=O)NC2CCCCC2)ccc1O 40267791 GYWDDXOFOJYBAV-UHFFFAOYSA-N 320.345 1.566 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1-n1cccc1 40485175 VTYSNWKLRIYVJL-AWEZNQCLSA-N 318.398 1.703 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc2c1=O 32488323 NZQWVXQBNOYDDS-UHFFFAOYSA-N 315.373 1.943 0 40 DDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccccc1 2643111 JGDVEASUBBNKOX-OAHLLOKOSA-N 323.352 1.788 0 40 DDAB COc1cccc(-c2nnc(SCC(=O)N(C)C)n2C)c1 1332787 BBPGIKMUGMUYLM-UHFFFAOYSA-N 306.391 1.671 0 40 DDAB C[C@H](NC(=O)c1ccc(O)nn1)c1ccc2c(c1)OCCCO2 32744206 FQHMRXSBVQUGMY-JTQLQIEISA-N 315.329 1.835 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2N)c(C)c1 4984833 ZFNOWMAUAIFZSI-GFCCVEGCSA-N 315.377 1.375 0 40 DDAB CCN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 6951313 RNABMEBQMBONLN-XBXARRHUSA-N 311.681 1.866 0 40 DDAB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)NC(N)=O 6969780 FWSSSBWJLHNJGD-XFFZJAGNSA-N 302.309 1.528 0 40 DDAB O=C(/N=c1\[nH]c2ccc(Br)cc2[nH]1)c1cc[nH]n1 76067309 NHMXBMVGACKDRM-UHFFFAOYSA-N 306.123 1.723 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCOC2)C1=O 41371418 FTLCQSYXLGKBPS-CHWSQXEVSA-N 318.373 1.343 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)NC[C@@](C)(O)c1cnn(C)c1 76021079 NDWICRRGHKTBOZ-IAQYHMDHSA-N 322.434 1.620 0 40 DDAB O=S(=O)(c1ccccc1Cl)N1CCN(CCF)CC1 76093282 ZDLGKWSCUHDOLV-UHFFFAOYSA-N 306.790 1.616 0 40 DDAB Cn1c(NCCCN2CCCC2=O)nc2sccc2c1=O 69191480 JIWCMRLBSPZYOJ-UHFFFAOYSA-N 306.391 1.419 0 40 DDAB COc1ccc(CCNC(=O)c2cc(=O)c(OC)co2)cc1 16850760 RTPLJTOKNKMLKA-UHFFFAOYSA-N 303.314 1.630 0 40 DDAB biogenic C[C@H](C(=O)N1CCCCC1)N1CCN(c2nccs2)CC1 54621000 HXICQCXBGICLOV-CYBMUJFWSA-N 308.451 1.666 0 40 DDAB CC(C)CCOCCNC(=O)Cn1cnc2ccccc2c1=O 54912665 KQSQBJDJDTVDJN-UHFFFAOYSA-N 317.389 1.575 0 40 DDAB CCN1CCO[C@H](CNCc2cc3c(cc2OC)C[C@@H](C)O3)C1 106929834 UCUGCTTVXFMABX-CZUORRHYSA-N 320.433 1.829 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C 25329421 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AQAQUKZJHOSCTE-UHFFFAOYSA-N 306.391 1.558 0 40 DDAB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cccnc1 72300218 JQTUHDPNPKTSQT-CYBMUJFWSA-N 306.391 1.440 0 40 DDAB CCN(C(=O)CNc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 72314801 IQSNUHAZLNZRGH-AWEZNQCLSA-N 324.446 1.751 0 40 DDAB CCOC(=O)[C@@H]1CCCN(CC(=O)N(CC(C)C)C2CC2)C1 97466774 BCYNNFWCGJUGCK-CQSZACIVSA-N 310.438 1.909 0 40 DDAB Cc1cc(NC(=O)CCN2CC[C@H](Oc3ccncc3)C2)no1 95428227 CVABAOLUEQVDCC-AWEZNQCLSA-N 316.361 1.860 0 40 DDAB COc1ccc(OC)c([C@@H]2C[C@H](C)Nc3nc(CO)nn32)c1 95477202 YPFOOHSJLMIJFY-CABZTGNLSA-N 304.350 1.581 0 40 DDAB COc1cccc2[nH]cc(CCNC(=O)N3CCC[C@@H]3CO)c12 95996893 OIKHQPQVNNPIEQ-CYBMUJFWSA-N 317.389 1.885 0 40 DDAB CS[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)SC)[C@@H](C)C1 95962512 XGDRSUIHHHEPKN-HBNTYKKESA-N 304.481 1.549 0 40 DDAB O=C(NCCCc1nc[nH]n1)c1cc(Cl)c2c(c1)OCCO2 75142558 ZEUQXVMAGXXPID-UHFFFAOYSA-N 322.752 1.592 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCn1cnc2sccc2c1=O 89938010 HQXYMXGFPPCZEF-NSHDSACASA-N 320.418 1.011 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)CCc1nc(C(C)(C)C)no1 42535150 YDEJLXKJETUZGC-LLVKDONJSA-N 305.382 1.701 0 40 DDAB O=C1NC(=O)/C(=C/c2cc(Br)cc(Cl)c2O)N1 409056034 KNEJIELNSRISIC-UQCOIBPSSA-N 317.526 1.988 0 40 DDAB O=C1CC[C@H](C(=O)NCc2cc(-c3ccc(F)cc3F)on2)N1 38754093 RBUPJTZARHWUAH-GFCCVEGCSA-N 321.283 1.515 0 40 DDAB COc1cccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1 72807709 XFALLUWUJHFPIN-UHFFFAOYSA-N 313.357 1.769 0 40 DDAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2CC(N)=O)n1 72360956 QVUKSFKTLGQSPZ-NSHDSACASA-N 318.406 1.607 0 40 DDAB Cc1csc2c(=O)n(Cc3nc(C4CC4)nn3C)cnc12 563112369 AIUWXTMOXVFYCA-UHFFFAOYSA-N 301.375 1.821 0 40 DDAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1cccnc1 32931438 RPWFSCCPDSRODK-UHFFFAOYSA-N 305.359 1.383 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](c3ccnn3C)C2)no1 72270565 BFLFTEMNXXGBBK-STQMWFEESA-N 317.393 1.923 0 40 DDAB CCN(CC)c1ncc(C(=O)NCc2ccccc2F)c(N)n1 71772276 YJLKEKQKSTWLJC-UHFFFAOYSA-N 317.368 1.974 0 40 DDAB COc1cc(OC)c([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 216294602 IUPYXDQHHMQQBS-SGMGOOAPSA-N 324.421 1.821 0 40 DDAB Cn1nc(Br)c(I)c1C=O 215762594 ZDKNNLGUDTVOCH-UHFFFAOYSA-N 314.908 1.600 0 40 DDAB COc1ccc(CNCCc2cccc(C(N)=O)c2)cc1O 78553640 JAYNWPBEGGIJGZ-UHFFFAOYSA-N 300.358 1.832 0 40 DDAB Cc1nn(CCNc2ncnc3c2NC(=O)CN3)c(C)c1Cl 41121449 PVBJPWSCEKCPCA-UHFFFAOYSA-N 321.772 1.419 0 40 DDAB COCC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225483869 IZJDLUKUAJQBCT-LBPRGKRZSA-N 308.309 1.530 0 40 DDAB biogenic,in-vitro CC(C)Oc1ccc(NC(=O)[C@@]23C[C@@H]2CN(C)S3(=O)=O)cc1 225947470 RQZQUNPJRBMQGA-IAQYHMDHSA-N 324.402 1.446 0 40 DDAB COc1ccc(NC(=O)COc2c(C)[nH]ccc2=O)c(OC)c1 40267575 VUMVOBZVIZQSSR-UHFFFAOYSA-N 318.329 1.718 0 40 DDAB C[C@H]1C[C@@H](NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C[C@@H](C)O1 573534401 FANGUXLAMUTFNP-GWCDLVAZSA-N 324.444 1.878 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1c1cc(NCC2CC2)ncn1 134893490 OIIOAFQMXRVKDO-ZDUSSCGKSA-N 301.394 1.546 0 40 DDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccco1)CC2 96259867 JHYSQZKAZBTUCG-UHFFFAOYSA-N 315.377 1.052 0 40 DDAB C[C@H]1CN(C(=O)CN2CC[C@H](CNc3ccccn3)C2)CCO1 97200620 IVJSZPTVXFZNIP-LSDHHAIUSA-N 318.421 1.063 0 40 DDAB COCCn1cc(CC(=O)NCCCN(C)C)c2ccccc21 95472943 GTWQFHAUAYFXGU-UHFFFAOYSA-N 317.433 1.898 0 40 DDAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCOCC1 618255125 LUKUNDTVELNXPY-UHFFFAOYSA-N 322.384 1.375 0 40 DDAB COc1cccc(N2CCC[C@H](NC(=O)[C@@H]3CCCO3)C2)c1 96409268 YILRELGMJAEKMZ-BBRMVZONSA-N 304.390 1.959 0 40 DDAB Cn1cc(-c2csc(Cn3nc4ccccn4c3=O)n2)cn1 96421307 CJVFBHCFTSTPBJ-UHFFFAOYSA-N 312.358 1.401 0 40 DDAB Cc1cccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)n1 96184387 PAPWZUQAZPXQJZ-CVEARBPZSA-N 302.422 1.127 0 40 DDAB CO[C@H]1CSC2(C1)CN(C(=O)COc1ccc(F)cc1)C2 247888650 SMRRUYBIHHZWBR-CYBMUJFWSA-N 311.378 1.937 0 40 DDAB CC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 242898051 GPVXKXOEAUAVDF-VIFPVBQESA-N 304.799 1.533 0 40 DDAB O=C([C@H]1CCOC1)N1C[C@H]2C[C@@H](CN(Cc3ccco3)C2)C1 247869336 QDWDYMDOWJPNOR-KKUMJFAQSA-N 304.390 1.596 0 40 DDAB Cn1cc(C(=O)N2CCC[C@@H]2c2nccnc2-c2ncc[nH]2)cn1 257340302 ZFKPUXGWYFKBSS-GFCCVEGCSA-N 323.360 1.578 0 40 DDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2c(c1)CCC2 257252055 JTJKIZJFRPTZJE-KZNAEPCWSA-N 314.429 1.893 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCc3c(C)n[nH]c3C)CCO2)n1 257293589 QQHCJEKFCVYOLM-CQSZACIVSA-N 317.393 1.591 0 40 DDAB c1coc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 253596760 VTZGTOGKKPKCKX-IRXDYDNUSA-N 317.389 1.926 0 40 DDAB NC(=O)C1CCN(Cc2cnc([C@@H]3CCCCO3)nc2)CC1 257201263 AGYFJRDHTVCUNM-AWEZNQCLSA-N 304.394 1.416 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccsc1 257308533 TXCIJBVZVPDBHK-MGPQQGTHSA-N 310.419 1.092 0 40 DDAB CCc1noc(CCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)n1 257203727 ARJMVJPHGTZXFJ-LBPRGKRZSA-N 323.393 1.097 0 40 DDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2cscn2)CCO1 257223727 DYPVIUMZYWBHJR-NSHDSACASA-N 319.390 1.213 0 40 DDAB COCCN1CCC(c2ccnc3c(CN(C)C)cnn23)CC1 257269205 MPACKAUTVLZGLG-UHFFFAOYSA-N 317.437 1.617 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC(c2cncc(C)n2)CC1 257246151 ISTQDEKDJNGTJE-UHFFFAOYSA-N 312.439 1.551 0 40 DDAB CS(=O)(=O)c1cc(Br)ccc1N1CCNCC1 642887014 CPVIREDBYLBIMS-UHFFFAOYSA-N 319.224 1.262 0 40 DDAB Cn1cccc(C(=O)NC[C@H](c2ccco2)n2cccn2)c1=O 575604608 AKKGYKJNYXCAGQ-CYBMUJFWSA-N 312.329 1.194 0 40 DDAB Cc1ccnc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)n1 585276434 JWVMSINYCNXJSJ-KRWDZBQOSA-N 313.357 1.441 0 40 DDAB COCCc1cnc2n1CCN(Cc1cc(C)nn1C)[C@@H]2C 585096921 CPQRAGONQAOLPQ-CYBMUJFWSA-N 303.410 1.691 0 40 DDAB O=C(N=c1ccc2c([nH]1)OCCO2)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 585123877 JRRKLFTVOMYWAK-APHBMKBZSA-N 308.337 1.799 0 40 DDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@H]12 585109162 YOVYFAWASCLMHM-MELADBBJSA-N 306.337 1.143 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC1CCCCC1 44715305 CKZKLDKBIQAWGR-UKRRQHHQSA-N 309.454 1.611 0 40 DDAB C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)NC(N)=O 51164992 QLXINXUGFPKUFU-LLVKDONJSA-N 318.377 1.194 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1COc2ccccc2O1 5485082 USHCSQUKYBDITC-HNNXBMFYSA-N 323.312 1.441 0 40 DDAB O=C(CSc1nccc(-c2ccccc2)n1)NCCCO 5948093 VJUXIBIQXOJKGT-UHFFFAOYSA-N 303.387 1.734 0 40 DDAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 17052368 BXAVNXVDXRXTPD-QXSJWSMHSA-N 313.353 1.928 0 40 DDAB O=C1NC2(CCN(C(=O)[C@H]3CCCO3)CC2)Nc2ccccc21 19374637 HNHCTCNQVDIQPL-CQSZACIVSA-N 315.373 1.340 0 40 DDAB O=C(NC1CCN(C(=O)C2(C(=O)O)CC2)CC1)c1ccsc1 154824097 BBOJBZYDUVBIGE-UHFFFAOYSA-N 322.386 1.334 0 40 DDAB COc1cccc2cc(C(=O)N[C@@H]3C[C@H](O)[C@H](CO)C3)oc12 107286248 ZVZQIRCADHHDJO-SRVKXCTJSA-N 305.330 1.303 0 40 DDAB biogenic CCOCC(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8983180 DFDPFOHAAYUZHD-NSHDSACASA-N 310.781 1.846 0 40 DDAB CC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 20347360 NXJMPLSHDSOLII-DVOMOZLQSA-N 307.390 1.738 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCN(c2cnsn2)CC1 585149008 WNFUVJREANDITC-UHFFFAOYSA-N 305.363 1.366 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1 36391138 XYSQWISYOLMPOT-UHFFFAOYSA-N 314.382 1.370 0 40 DDAB CCNC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@H]2C1 1888860476 MBSOSGZLBKVHSO-STQMWFEESA-N 315.421 1.371 0 40 DDAB COc1ccc(Cn2nnc(C(=O)OC(C)(C)C)c2O)cc1 1848350485 UPHQSVOYUGOZTF-UHFFFAOYSA-N 305.334 1.996 0 40 DDAB Cc1cc(NC(=O)CN2CCOCC2)n(-c2ccccc2)n1 19924968 UYAVDBIZGXONPN-UHFFFAOYSA-N 300.362 1.451 0 40 DDAB CCNC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C 32893395 QLKHDFYHUOGZMI-UHFFFAOYSA-N 320.418 1.676 0 40 DDAB O=C(C1CC1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984117 RCNZHXGZYYLDHO-GOSISDBHSA-N 314.385 1.679 0 40 DDAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)c(C(=O)O)c1OC 518749 ZLOHCXWHFSYRHQ-RDDDGLTNSA-N 313.331 1.190 0 40 DDAB CCOc1ccc(N2C[C@H](C(=O)NCCCOC)CC2=O)cc1 4269408 IQBRLUYRBFFYGY-CYBMUJFWSA-N 320.389 1.591 0 40 DDAB CC(C)CCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055714593 KPLLSZQBRFMMQM-CYBMUJFWSA-N 320.437 1.746 0 40 DDAB CC(C)N1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@H]2C1 2055717963 OBBNFOQRGFEAST-UAGQMJEPSA-N 317.433 1.928 0 40 DDAB CCCCOC[C@H](O)CN1CCN(c2ccccc2OC)CC1 23118553 OMWQAYKNWBDGGU-MRXNPFEDSA-N 322.449 1.995 0 40 DDAB COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccccc1 100503336 KDOGXAUFFUFBSX-CYBMUJFWSA-N 304.371 1.911 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1F)C(=O)N2 31813758 GCRQCEDFZGCZRL-JTQLQIEISA-N 303.297 1.502 0 40 DDAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCCO 20738269 DBEJNQOYNPHDOE-CYBMUJFWSA-N 308.403 1.821 0 40 DDAB O=C1N=C(Nc2cccc3ccccc23)SC1(CO)CO 188035 KYVHYMVXKKAMQM-UHFFFAOYSA-N 302.355 1.605 0 40 DDAB CN(CCN1CCOCC1)C(=O)c1ccn(-c2ccccc2)n1 69587713 RAWJQIAYFMAJQC-UHFFFAOYSA-N 314.389 1.277 0 40 DDAB O=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1 306203 RYMKROKXVBLIBL-ZDUSSCGKSA-N 323.395 1.988 0 40 DDAB CC[C@@H](C)NC(=O)c1nn(C)cc1I 483031 LFMAAVRGDKKANW-ZCFIWIBFSA-N 307.135 1.553 0 40 DDAB COC(=O)C1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 7637054 BIMSDEUHHQLHIF-UHFFFAOYSA-N 324.808 1.841 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccoc2)C1=O 32928081 JOQMIPANZKNMFU-NSHDSACASA-N 300.314 1.710 0 40 DDAB CCc1nn2c(O)c3c(nc2c1C)CN(C(=O)c1ccccn1)C3 100769109 IFBQCCZUVRILTK-UHFFFAOYSA-N 323.356 1.857 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@H]4CCC[C@H]43)nc2n1 53385027 ORPCQWASFQFHTR-NEPJUHHUSA-N 301.350 1.135 0 40 DDAB CN1CC[C@@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 104185518 FZSHNUIXYMLTAG-NSHDSACASA-N 323.828 1.412 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C(=O)OC 24273209 WKDUJWVIVZUTSU-ZDUSSCGKSA-N 318.329 1.664 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1ccc(Br)cn1 52914963 RPURIWDPZNXSPB-LURJTMIESA-N 318.196 1.780 0 40 DDAB COC(=O)Cc1c[nH]c2cccc(OC[C@H](O)CNC(C)C)c12 1318543 XYYNADJYWANKQJ-CYBMUJFWSA-N 320.389 1.621 0 40 DDAB biogenic Cn1cc([C@@H]2CCCN2C(=O)Cc2cn3ccccc3n2)cn1 69708870 ANSXYJOJIPXVDN-HNNXBMFYSA-N 309.373 1.974 0 40 DDAB CCNC(=O)[C@H](C)Sc1cc(C(N)=O)c2ccccc2n1 25913826 PVZRNTYCWATTNG-VIFPVBQESA-N 303.387 1.950 0 40 DDAB CSc1nnnn1-c1cccc(NC(=O)NCC2CC2)c1 58096985 PNJQGIVVYYMADR-UHFFFAOYSA-N 304.379 1.916 0 40 DDAB CCN1CCN(C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 44866787 OUXLSGPNPCRXAH-QGZVFWFLSA-N 306.450 1.989 0 40 DDAB Cc1cc(-c2nnn(Cc3ccc(C(N)=O)cc3)n2)ccc1F 58210852 PZZFYEOQOBATEQ-UHFFFAOYSA-N 311.320 1.935 0 40 DDAB Cc1cccc(CNC(=O)NCCCCN2CCN(C)CC2)c1 58291089 VJLCHCZCKIZNRQ-UHFFFAOYSA-N 318.465 1.822 0 40 DDAB COC(=O)c1ncn(CN(Cc2cccc(C)c2)C2CC2)n1 58378227 AGOJEUIHBUZRJA-UHFFFAOYSA-N 300.362 1.995 0 40 DDAB CON(C)C(=O)CNC(=O)c1ccc(Br)s1 48178626 VOGUCIIINURFHC-UHFFFAOYSA-N 307.169 1.260 0 40 DDAB COC(=O)[C@H]1C[C@H](N2CCN(Cc3cccs3)CC2)[C@H](O)C1 78970858 XFRHLOXCVAZTMG-AEGPPILISA-N 324.446 1.178 0 40 DDAB O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccccn3)c12 36367308 DJIGIPPGGOEOLP-UHFFFAOYSA-N 309.329 1.217 0 40 DDAB CC(=O)c1c(SCC(=O)NC2CCCCC2)nc(=O)[nH]c1C 10914146 ZOAFNHWDPFZJPW-UHFFFAOYSA-N 323.418 1.822 0 40 DDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1nc(-c2ccco2)no1 36717635 PVMVPISSKQGPTD-ZDUSSCGKSA-N 320.330 1.257 0 40 DDAB CCCc1cc(=O)[nH]c(S[C@@H](C(=O)NC(N)=O)C(C)C)n1 11443462 LGVNEBYFPAWKJI-SNVBAGLBSA-N 312.395 1.034 0 40 DDAB O=C(NCc1ccncc1)c1ccc(CN2CCOCC2)cc1 19798887 JLPBDPGMSYCDFJ-UHFFFAOYSA-N 311.385 1.844 0 40 DDAB CCOCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C 48333700 JIIXWCAVQYERBS-HNNXBMFYSA-N 306.406 1.902 0 40 DDAB CCOc1ncccc1C(=O)Nc1ccc(-n2cnnn2)cc1 3456593 HABUGFNGDXVRGU-UHFFFAOYSA-N 310.317 1.708 0 40 DDAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 3449225 RJPBJVIUALRGJV-LLVKDONJSA-N 309.288 1.022 0 40 DDAB CCCN(CCc1nc2ccccc2c(=O)[nH]1)CC(=O)N(C)C 69843875 JXXTYAIEVXGRKV-UHFFFAOYSA-N 316.405 1.266 0 40 DDAB CCc1ncc2c(n1)CN([C@H](C)C(=O)Nc1ncccn1)CC2 69876045 OBGORMDBZWGYKC-LLVKDONJSA-N 312.377 1.214 0 40 DDAB NC(=O)[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 69977762 CYYBCPNJOULFPH-FUHWJXTLSA-N 323.396 1.604 0 40 DDAB CC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(C)cc1 4309178 KUEWHNZOGGUHGI-ZDUSSCGKSA-N 317.389 1.893 0 40 DDAB O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccncc1 65288242 LGQKUNLVDGKXJJ-UHFFFAOYSA-N 324.296 1.799 0 40 DDAB in-vitro C[C@H](Cc1ccco1)NC(=O)N(C)Cc1nnc2n1CCC2 65393072 YTFKGOUDPFQYEJ-LLVKDONJSA-N 303.366 1.590 0 40 DDAB O=C1CNC(=O)N1CCCC(=O)N1CCC[C@@H]1c1cccs1 14183433 XDEDIEPVTSSRRU-LLVKDONJSA-N 321.402 1.744 0 40 DDAB C[C@@H]1CN(C2CCN(C(=O)/C=C/c3ccncc3)CC2)CCO1 66396117 KUIWKXMRVSHKHH-XYBNCVKDSA-N 315.417 1.807 0 40 DDAB O=C(NCCCS(=O)(=O)c1ccccc1)NCc1ccco1 66873386 UKUDWYSDDBAUKH-UHFFFAOYSA-N 322.386 1.943 0 40 DDAB CC(C)S(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 67802899 UZSFNBUBXZMDBR-NSHDSACASA-N 306.428 1.714 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1C[C@H]1C 7723474 LOLYJLKFFUOGST-KOLCDFICSA-N 312.391 1.540 0 40 DDAB Cc1ccc(NC2CCN(C(=O)COCC3CC3)CC2)nn1 70038361 DUCRPQCCZCTNQI-UHFFFAOYSA-N 304.394 1.615 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCc2ccccc2F)CC1 70015625 MPUBQHLOKBUEMC-OAHLLOKOSA-N 308.397 1.673 0 40 DDAB COc1cccc(S(=O)(=O)CCN[C@H](C)Cn2cccn2)c1 69349885 OWLGKLSGMZKCDK-CYBMUJFWSA-N 323.418 1.344 0 40 DDAB CN(Cc1cccc(F)c1)C(=O)COc1ccccc1C(N)=O 9248049 HVPNFXANSQRPCH-UHFFFAOYSA-N 316.332 1.962 0 40 DDAB CCc1noc([C@H](C)N2CCN([C@H]3C[C@H](C)OC3=O)CC2)n1 69454468 KFQNABPRZIWMPU-SRVKXCTJSA-N 308.382 1.015 0 40 DDAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)O)C1=O 408591659 JVMTZOLIEHKPJK-POHAHGRESA-N 324.720 1.716 0 40 DDAB NC(=O)CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C1CCCC1 71821109 ROWJWTVUOHMKLL-AWEZNQCLSA-N 322.792 1.900 0 40 DDAB Cc1cnn(CCC(=O)N2CCN(c3nccs3)CC2)c1 71819813 DVOXLAKWEOYADS-UHFFFAOYSA-N 305.407 1.387 0 40 DDAB Ic1cnn(CCN2CCSCC2)c1 97022050 LEPLTJSWBKFNKH-UHFFFAOYSA-N 323.203 1.537 0 40 DDAB Cc1ncccc1C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 97086391 GGTUZOJYAVBLLN-OAHLLOKOSA-N 310.357 1.710 0 40 DDAB Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F 72269134 PTCAYTNLFNUEDV-HZPDHXFCSA-N 306.381 1.805 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)no1 72231822 UOAXLZRKPCVYNA-CYBMUJFWSA-N 315.377 1.859 0 40 DDAB Cc1cc(=O)oc2cc(OCCN3CCS(=O)CC3)ccc12 72293939 IELAAQKKPLPWFE-UHFFFAOYSA-N 321.398 1.545 0 40 DDAB COC(=O)CN(Cc1cnn(C)c1)C(=O)Cc1cccs1 72280899 WLRJPXVFRWDMDB-UHFFFAOYSA-N 307.375 1.226 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n1 72253269 MKSOCWWADJPOLH-AWEZNQCLSA-N 314.389 1.676 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)no1 79001563 UGFAMVAEKMHNOG-UHFFFAOYSA-N 318.381 1.183 0 40 DDAB COc1ccc(OC)c(CCC(=O)NCc2ncnn2C)c1 95403734 KIGMEJVGJXUEEK-UHFFFAOYSA-N 304.350 1.081 0 40 DDAB CN([C@H]1CCCN(Cc2ccc(F)cc2F)C1)S(C)(=O)=O 84863904 UGFYCNIVLOOSDN-ZDUSSCGKSA-N 318.389 1.821 0 40 DDAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)N1CCC1 73521548 UAKKUYBOQKAYFZ-VMPITWQZSA-N 306.387 1.472 0 40 DDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCN(C)C1=O 73884444 CVVXNJJCLSDABN-UKRRQHHQSA-N 315.417 1.565 0 40 DDAB C[C@@H](CC1CCCCC1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 95997873 WCMBLCAGVNBXOV-NSHDSACASA-N 319.409 1.367 0 40 DDAB C[C@H](NCCn1cccn1)C(=O)N[C@H]1CCOc2ccccc21 75133243 XJGILEPZVROFSI-ZFWWWQNUSA-N 314.389 1.501 0 40 DDAB C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccsc1 89900921 YWFMXPHCYGPMLM-ZYHUDNBSSA-N 307.419 1.914 0 40 DDAB O=C(O)CCn1ncc(I)c1C(F)F 408716468 NKNVSUKJHSLZMX-UHFFFAOYSA-N 316.045 1.900 0 40 DDAB CCOC1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 71820676 XPEMDOYPCCTKDS-UHFFFAOYSA-N 315.373 1.424 0 40 DDAB CC1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 72238038 SHODZVTUDGEGRV-DLBZAZTESA-N 316.401 1.843 0 40 DDAB CC[C@H](CO)N1CCN(c2ncnc3ccc(F)cc23)CC1 78524236 OJEUMHIIAQITNC-CYBMUJFWSA-N 304.369 1.662 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)C1CN(S(=O)(=O)C2CC2)C1 70838154 MCGIYSFWCWYRIX-LLVKDONJSA-N 320.414 1.388 0 40 DDAB Cc1ccc(C[C@@H](NC(=O)Cn2cnnn2)c2ccccn2)cc1 79360543 LFWRSAMNZWITTC-MRXNPFEDSA-N 322.372 1.477 0 40 DDAB CC(C)c1nc(S(=O)(=O)NC[C@]2(O)C=CCCC2)cn1C 606440775 OFAIEEPUXYUOBY-AWEZNQCLSA-N 313.423 1.293 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@@H](Oc3cnccn3)C2)s1 225793265 ZYLFDCDIDOEPHA-LLVKDONJSA-N 304.375 1.843 0 40 DDAB C[C@H]1C[C@@H]1c1nnc2ccc(N3CCC(C(=O)O)CC3)nn12 568396632 QQUKQHZMJWQECU-ONGXEEELSA-N 301.350 1.549 0 40 DDAB COc1ccc([C@H](CC(=O)O)CC(=O)NC[C@@H]2CCCO2)cc1 223100337 JHOPMYVRGIGNHZ-ZFWWWQNUSA-N 321.373 1.939 0 40 DDAB Cn1nc(CNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O 75148923 ZVZKKVISTMPANY-UHFFFAOYSA-N 324.340 1.729 0 40 DDAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc2c1CCC2 195179956 HYBOZOBUSCNNPR-ZDUSSCGKSA-N 301.390 1.838 0 40 DDAB CN1CC[C@@H](NC(=O)N2CCc3c(F)ccc(F)c3C2)C1=O 84160428 YMVZAHGKNPJSQU-CYBMUJFWSA-N 309.316 1.263 0 40 DDAB COC[C@H]1C[C@@H](NCc2cn(C)c3ccccc23)[C@H](O)[C@@H]1O 225509210 HEYJRRQTCFDMTP-PREXVCJDSA-N 304.390 1.025 0 40 DDAB biogenic,in-vitro O=C(NCC1(O)Cc2ccccc2C1)c1noc2c1CCCC2 225715783 IOKVAPIATMHQIQ-UHFFFAOYSA-N 312.369 1.813 0 40 DDAB CC[C@H]1CN(C(=O)c2ncc(C)cc2O)C[C@@]2(CCOC2)O1 330024609 AKFYQSOAENNULZ-BLLLJJGKSA-N 306.362 1.506 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CC[C@H](CN(C)C)C1 97238762 GJICIQSRBCCDHO-ZBFHGGJFSA-N 311.470 1.190 0 40 DDAB CCOc1c(F)cccc1C(=O)N[C@@H]1CCCC[C@H]1C(N)=O 96483083 NDZFDIOXBSVOFI-ZWNOBZJWSA-N 308.353 1.998 0 40 DDAB CN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 96477687 BHYRYNKDWUBKTK-OLZOCXBDSA-N 316.323 1.607 0 40 DDAB COC[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1C(C)C 96051777 LMYHGBPGQDYLQM-ZDUSSCGKSA-N 304.456 1.157 0 40 DDAB Cn1cc(C(=O)NCC2(c3ccccc3)CCOCC2)nn1 96120220 IBLXQSARCMGPJV-UHFFFAOYSA-N 300.362 1.293 0 40 DDAB c1cc(CN2CCO[C@H]3CN(Cc4csnn4)C[C@H]32)ccn1 96081745 LMJVQRGYESPGKA-CABCVRRESA-N 317.418 1.018 0 40 DDAB O=C(CC1CC1)NC[C@H]1CCC2(CN(c3ncccn3)C2)OC1 247875211 SPZYVBKLWGUOFP-CQSZACIVSA-N 316.405 1.378 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)nc(N)n1 257215058 COMCXSPGOZFGBM-BBRMVZONSA-N 303.410 1.456 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3cc[nH]n3)cn2)CCCCO1 257279195 OFMCMELAAKMWBG-HNNXBMFYSA-N 301.350 1.545 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@]3(C)NCCCC[C@H]23)n1 257274256 NKFMKPHYZVPWEA-YOEHRIQHSA-N 318.421 1.075 0 40 DDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575403698 MSXDCKZHLOXRLO-CHWSQXEVSA-N 320.414 1.583 0 40 DDAB CCOCc1nnc2n1CCN(CC1=CCCOC1)[C@H](C)C2 585098182 QXJCSWWWAMNQMN-CYBMUJFWSA-N 306.410 1.408 0 40 DDAB CCn1cc(CN2CCC[C@H](OC)[C@@H]2CCC(=O)N(C)C)cn1 585275561 GORSSQGULKPYPS-HOTGVXAUSA-N 322.453 1.751 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCC2CCCC2)C1 46872635 DTVOKWWUEIXRMR-ZDUSSCGKSA-N 317.455 1.290 0 40 DDAB O=C(C1CC1)N1CCC(NCc2cccc3c2OCO3)CC1 47701205 MPNRQMLVTGXBAP-UHFFFAOYSA-N 302.374 1.906 0 40 DDAB CO[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 55363720 CFQJZWJQOKJBDF-CYBMUJFWSA-N 304.390 1.751 0 40 DDAB COCCNC(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 56779367 GJPCOVRIZFLBJK-JTQLQIEISA-N 312.395 1.150 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 69976652 MGIWGXUWCHASBI-IMJJTQAJSA-N 320.408 1.844 0 40 DDAB NS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1 37309250 KERRJHRESZZSED-UHFFFAOYSA-N 306.343 1.644 0 40 DDAB O=C(c1ccccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1 85436617 IPFIZHOJXWPKJT-HNNXBMFYSA-N 308.809 1.869 0 40 DDAB O=C(c1ccc(F)cc1F)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166832 JFJOXEITTZQOOC-UHFFFAOYSA-N 322.311 1.733 0 40 DDAB O=c1/c(=C/c2ccc(Br)cc2)sc2nncn12 13635048 YFKZGCQDTXXNIK-UITAMQMPSA-N 308.160 1.461 0 40 DDAB CN1CCN(C(=O)c2ccc(C(=O)C(F)(F)F)cc2)CC1 5719713 FYNWNAJUANWBPL-UHFFFAOYSA-N 300.280 1.819 0 40 DDAB O=C1NC[C@@H](c2ccccc2)C12C(=O)NC[C@H]2c1ccccc1 5901690 UJALMBUUULDXKH-NRAVZPKASA-N 306.365 1.800 0 40 DDAB Cc1cc(C)nc(N2CCCN(C(=O)N3CCOCC3)CC2)n1 12188609 ZJCLIAQFZDCICK-UHFFFAOYSA-N 319.409 1.058 0 40 DDAB O=C(O)C[C@H](SCC(=O)Nc1ccc(Cl)cc1)C(=O)O 16428280 UDCPKYVWSXUVQL-VIFPVBQESA-N 317.750 1.940 0 40 DDAB COc1ccc(C2N3CCCN2CC3)cc1CN1CCOCC1 19324079 DRUFJJXYTKXTRC-UHFFFAOYSA-N 317.433 1.547 0 40 DDAB O=C(c1ccncc1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19404820 PAPNFWZCEZBZOF-CQSZACIVSA-N 324.384 1.604 0 40 DDAB CC(=O)N1CCc2nnc([C@@H]3CCCN3C3CCCC3)n2CC1 19708304 AVTZDHRABDGYLW-HNNXBMFYSA-N 317.437 1.762 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)C(C)C)nc2c1CC(=O)N2C 19739905 NLEZKUYZFKOKCH-GFCCVEGCSA-N 302.378 1.623 0 40 DDAB Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](c1cccs1)CC3=O 19973965 KMKDUDKEGAUGBE-SSDOTTSWSA-N 312.354 1.875 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)N3CCOCC3)C2)nn1 225466069 SESMALVNAJIRSR-ZDUSSCGKSA-N 306.366 1.080 0 40 DDAB COc1ccnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1888849952 URRUKAIUXSCWHR-LBPRGKRZSA-N 322.434 1.277 0 40 DDAB CCc1cc(N2CCN(c3ccnc(N(C)C)n3)CC2)ncn1 1888854597 GFDZKNTWQNXLIN-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)C(=O)NC3CC3)cnc21 32866017 FEGDGLSPIUEYQO-JTQLQIEISA-N 316.361 1.836 0 40 DDAB CCSCC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225170 FEQPCWDJPBITOL-CJNGLKHVSA-N 310.463 1.989 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 798617 OJNUWVKSLLGNBF-UHFFFAOYSA-N 313.375 1.413 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCCn1ccnc1 5251339 CUYGENQHXDCHNY-UHFFFAOYSA-N 320.780 1.990 0 40 DDAB Cc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(O)N(C)C2=O)c1 9183982 ASWDCSZKIJFWLL-LBPRGKRZSA-N 315.251 1.369 0 40 DDAB Cc1cc(O[C@H]2CCN(C(=O)c3cccnc3)C2)cc(=O)o1 218877384 GYQOXVMUMOYYBX-ZDUSSCGKSA-N 300.314 1.637 0 40 DDAB O=C([C@@H]1CCc2ccccc2O1)N1CC(Nc2ccncn2)C1 618256221 ORQWRTYDZQTQAE-HNNXBMFYSA-N 310.357 1.493 0 40 DDAB COCC[C@@](C)(O)CNS(=O)(=O)c1cccc2ccccc12 178738694 IWSQAWZBCMAQAL-MRXNPFEDSA-N 323.414 1.906 0 40 DDAB Cc1ccn2c(=O)c(C(=O)NCCc3ccccc3)c(O)nc2c1 8604409 MDTVXGGQQBDPRD-UHFFFAOYSA-N 323.352 1.681 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@@H](C)N1CCc2ccccc21 40086263 ICEPXSXXSFXOBR-CYBMUJFWSA-N 311.451 1.614 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1F 30337695 ZTKVUMJHKTXYIT-UHFFFAOYSA-N 314.338 1.951 0 40 DDAB CCN1C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1=O 40508571 PVUZJRKFGNRLIQ-VHSXEESVSA-N 317.345 1.213 0 40 DDAB CCN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C 51791684 LNHWFMWMOZCZSL-UHFFFAOYSA-N 317.389 1.083 0 40 DDAB O=c1c(NCc2ccccn2)c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c1=O 101694018 IDSNWUZMVJJZDI-RWMBFGLXSA-N 309.369 1.914 0 40 DDAB O=c1c(NCCCn2ccnc2)c(NCc2ccco2)c1=O 101693802 JXQGAXQHSZVLAQ-UHFFFAOYSA-N 300.318 1.186 0 40 DDAB O=C(CC[C@]1(C(=O)O)CCC(=O)NC1)NCc1ccccc1 53602 KFUNZJUZXYJCRY-INIZCTEOSA-N 304.346 1.064 0 40 DDAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(F)cc1 223170 XHRLKYQYHULLCE-UHFFFAOYSA-N 305.305 1.969 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1C(=O)O 36974171 XPEQJEYAGSLTKT-GFCCVEGCSA-N 311.359 1.088 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC 350782 DPYANOFOCFBUFD-ZDUSSCGKSA-N 306.318 1.505 0 40 DDAB COc1cc(CCNC(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1C 81498432 WMCYOBZOYKFKBE-LSDHHAIUSA-N 304.390 1.782 0 40 DDAB O=C(NC1=NCCS1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 806828 HILWEVWFJCFLHM-SECBINFHSA-N 307.350 1.398 0 40 DDAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 21213837 FXYOSGMWWHJGIQ-LLVKDONJSA-N 302.359 1.525 0 40 DDAB CCCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=NNN21 4368764 XIRVSAOMLPDEIY-CYBMUJFWSA-N 314.349 1.833 0 40 DDAB COc1ccc(NC(=O)CSC2=NC(=O)C[C@H](C)N2)cc1 6199795 RDPLPTIFTRFFRQ-VIFPVBQESA-N 307.375 1.631 0 40 DDAB CCOc1cc(C(=O)NCCO)cc(Br)c1OC 6439488 ZLWHAQQCLJHVAL-UHFFFAOYSA-N 318.167 1.579 0 40 DDAB C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(C(N)=O)cc1 6913069 OWDFVOQYYQNIHQ-SECBINFHSA-N 302.359 1.695 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCOC1 41373388 NWYNVAZCAUCGOV-LBPRGKRZSA-N 301.346 1.647 0 40 DDAB O=S(=O)(c1cccc(CN2CCCCC2)c1)N1CCOCC1 22240577 ZIDVGOVPMHULCV-UHFFFAOYSA-N 324.446 1.693 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)N1C[C@H]2CC[C@H]1C2 103572040 BIASJVHQWMIIGP-STQMWFEESA-N 308.403 1.366 0 40 DDAB CC(=O)c1ccc(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)s1 41944591 OYJHYEWMLXHUEL-QWRGUYRKSA-N 310.419 1.790 0 40 DDAB COc1ccc(CN2CCN(CC(=O)N3CCCC3)CC2)cc1 22877446 WMXKEQADLYVVFG-UHFFFAOYSA-N 317.433 1.435 0 40 DDAB CCCNC(=O)NC(=O)CNc1ccc(C(=O)OC)cc1C 23054963 HXLAZAJXZDGRSF-UHFFFAOYSA-N 307.350 1.429 0 40 DDAB O=C(Nc1ncccc1O)[C@H]1CCCN(C(=O)c2ccoc2)C1 23082393 XQBWICGSHAJHHX-NSHDSACASA-N 315.329 1.871 0 40 DDAB CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCNC1=O 70040222 FPQWSUVYOUIEFM-UHFFFAOYSA-N 310.741 1.262 0 40 DDAB CN(c1ncnc2sc3c(c12)CCC3)[C@@H]1CCS(=O)(=O)C1 3167635 GMGYDFBSVHKIFV-SECBINFHSA-N 323.443 1.803 0 40 DDAB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100377052 KAXCZSAKZGTKSB-AVRGHOLYSA-N 319.744 1.535 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 43095406 QTVJDILZFHHWIP-QWHCGFSZSA-N 320.393 1.076 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)cnn1C 24999242 PCRCLPPYPYKWMU-SNVBAGLBSA-N 321.402 1.623 0 40 DDAB Cc1cc2n(n1)C[C@H](CN[C@H](c1nccn1C)C(C)C)CN2 69348581 ICMHSPZKDYICOP-ZFWWWQNUSA-N 302.426 1.954 0 40 DDAB COCCN(C)Cc1nc(-c2ccc(OC)cc2OC)no1 56293862 VSTMRGFACYTPPL-UHFFFAOYSA-N 307.350 1.832 0 40 DDAB O=C(OCn1nnc2ccccc2c1=O)c1cccnc1Cl 3254958 FGQDIDPZWGTUNP-UHFFFAOYSA-N 316.704 1.654 0 40 DDAB CCC(=O)N1CCN(c2nc(CC)nc3c(C)nn(C)c23)CC1 28557629 QVINBDXQUGLPQC-UHFFFAOYSA-N 316.409 1.293 0 40 DDAB NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C2CC2)C1 58171097 ZODXJIOMNKSPLI-AWEZNQCLSA-N 301.390 1.732 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 44890001 KKLLNKDJOGEHGX-CYBMUJFWSA-N 322.792 1.582 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)ccc1=O 58209896 NYMCIYSBBGBQCA-GFCCVEGCSA-N 313.361 1.030 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N(CC1CC1)C[C@@H]1CCCO1 20913867 FPLSIXMLXQZGRN-ZDUSSCGKSA-N 300.362 1.989 0 40 DDAB Cc1csc(N2CCN(C(=O)NCCN3CCCC3)CC2)n1 44966698 MBTFUZKKJDRQIT-UHFFFAOYSA-N 323.466 1.379 0 40 DDAB CCN(C)c1ccc(C(=O)NCCCN(C)CCOC)cc1 58357356 NVMWKRJSWMNILU-UHFFFAOYSA-N 307.438 1.841 0 40 DDAB O=C(NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccccc1 58406142 NMEYJGWYPYNWSE-CABCVRRESA-N 302.374 1.586 0 40 DDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2ccco2)cc1 10669373 RCZWRDKMVYJZHG-UHFFFAOYSA-N 318.285 1.793 0 40 DDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 10616890 XRBNBAGTKFPQGW-UHFFFAOYSA-N 316.405 1.141 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)c2cc3c(s2)CCC3)CC1 48236255 FEHYTNKPHWDLTC-ZDUSSCGKSA-N 321.490 1.993 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1cc[nH]n1 48261204 CZLGOBKEAIYXJY-UHFFFAOYSA-N 302.334 1.870 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 11557335 MNCFXQPELDOUNX-UHFFFAOYSA-N 318.354 1.441 0 40 DDAB CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 62228345 KGMGZOFBGCIDIV-KRWDZBQOSA-N 317.433 1.636 0 40 DDAB COCCOc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cn1 48390332 RXEMSCCJBQKXRG-UHFFFAOYSA-N 316.361 1.637 0 40 DDAB Cc1ccc([C@@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1 69489619 CYIDBUQAKDDBBA-AWEZNQCLSA-N 313.357 1.209 0 40 DDAB Cc1ccccc1-c1noc(CN2C(=O)NC(C)(C)C2=O)n1 12897743 CDGXQAOIIVYKQW-UHFFFAOYSA-N 300.318 1.875 0 40 DDAB Cc1cnn(CCC(=O)NCCC(=O)N2CCCC[C@@H]2C)c1 69486071 WUWASIICQKXKAP-AWEZNQCLSA-N 306.410 1.489 0 40 DDAB NC(=O)Nc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 3432648 HXJAJZNSUIHNAB-UHFFFAOYSA-N 319.361 1.783 0 40 DDAB CC(C)Cn1c(SCC(=O)NC(N)=O)nc2ccccc21 3498643 FUPSSSMYRIQFDS-UHFFFAOYSA-N 306.391 1.979 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CCCCC1)C2=O 3563749 JQXNPSCJRVCOHV-PXAZEXFGSA-N 321.421 1.936 0 40 DDAB Cc1c(CC(=O)NCC(C)C)c(=O)oc2cc(O)cc(O)c12 8490551 QCTVJEPDQFMELH-UHFFFAOYSA-N 305.330 1.827 0 40 DDAB biogenic CCOC(=O)[C@H]1C(O)=Nc2nc(C)nn2[C@H]1c1ccccc1 13127040 NULKNWNNTGSSHC-NEPJUHHUSA-N 300.318 1.957 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 48920950 LNGDVGLXRKYZQS-UHFFFAOYSA-N 316.810 1.919 0 40 DDAB Cc1nccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 69512145 PEABPALSWCCMCF-MRXNPFEDSA-N 324.384 1.405 0 40 DDAB CCCN(C(=O)CN[C@H]1CCc2ncnn2C1)C1=CCCCC1 69600243 REMVHPWOGPMQKR-AWEZNQCLSA-N 317.437 1.879 0 40 DDAB Cc1nc(C(=O)NCCCC(N)=O)nn1-c1ccccc1Cl 63930269 MPAAXXWSEXONCF-UHFFFAOYSA-N 321.768 1.224 0 40 DDAB Cc1cc(CNC(=O)N2CCN(c3ccccc3O)CC2)on1 64236850 LMGLDMLJHPCYOI-UHFFFAOYSA-N 316.361 1.720 0 40 DDAB Cc1cc(NC(=O)CNc2cc(C(N)=O)cc(F)c2C)no1 69871654 ODGVCRCMKJUJNR-UHFFFAOYSA-N 306.297 1.580 0 40 DDAB COc1ccc(CCNC(=N)NCCc2nccn2C)cc1 69744804 LBXNJFNMMHRDMJ-UHFFFAOYSA-N 301.394 1.328 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2c(C)nn(CC)c2C)CC1 69951553 HTNQDQUAJUWSNW-CQSZACIVSA-N 308.426 1.049 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccccn2)c1 65411490 GAVHNXODOQRWSA-CYBMUJFWSA-N 317.345 1.954 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CCc4ccc(Cl)cc43)nc21 65410945 FSNOIPDYKOPWFB-UHFFFAOYSA-N 315.764 1.873 0 40 DDAB C[C@@H]1CCCN(C(=O)CNc2cccc(-n3cnnn3)c2)C1 65595165 HTYHIWJZBIDCIL-GFCCVEGCSA-N 300.366 1.333 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2ccn(C)n2)CC1 27971081 HWIVRLUDRQRUTA-UHFFFAOYSA-N 300.362 1.391 0 40 DDAB CCOC(=O)C1=C(N)N(c2cc(OC)cc(OC)c2)C(=O)C1 6788235 ZTGMBVAEJXLAQB-UHFFFAOYSA-N 306.318 1.174 0 40 DDAB Cc1nn(CC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1Cl 6921625 UTNPQLMKWALRAF-SECBINFHSA-N 310.663 1.314 0 40 DDAB C[C@@H](C(=O)N(CCO)Cc1ccccc1)N1CCSCC1 90164003 RHNPTMCVWFLOON-AWEZNQCLSA-N 308.447 1.445 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 80121452 UHKWNLJSIBWAJJ-AWEZNQCLSA-N 316.467 1.874 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1 80514763 SLSICHNNUBSLTI-VXGBXAGGSA-N 304.456 1.887 0 40 DDAB O=C1CN(CC(=O)Nc2ccccc2SC(F)F)CCN1 7606571 YUSPHWPSWWVUIM-UHFFFAOYSA-N 315.345 1.372 0 40 DDAB CN(Cc1nccn1C)C(=O)C(=O)Nc1cc(F)ccc1F 119774899 QUFDYJCOJXJWAE-UHFFFAOYSA-N 308.288 1.295 0 40 DDAB Cc1cc(NC(=O)N2CC[C@@H](O)C2)nn1-c1ccc(F)cc1 96009336 XVJBVNSQVMJHGQ-CYBMUJFWSA-N 304.325 1.918 0 40 DDAB CC[C@](NCC(=O)NCc1cccc(C)c1)(C(N)=O)C(C)C 96006554 JJQHOULZHUVRMT-QGZVFWFLSA-N 305.422 1.491 0 40 DDAB C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@@H](C(N)=O)O1 97084481 OUNOJWMAQQNECB-RNCFNFMXSA-N 310.781 1.350 0 40 DDAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1 96409303 YZAFCFGNMMTDMS-CJNGLKHVSA-N 322.380 1.635 0 40 DDAB CC(C)[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 71830013 KNCDGCAWVIGIET-ZDUSSCGKSA-N 321.421 1.888 0 40 DDAB O=S1(=O)C=C(N2CCC3(CC2)OCCO3)c2ccccc21 9614856 NWRLUAXVMKPZEL-UHFFFAOYSA-N 307.371 1.611 0 40 DDAB Cc1csc(SCC(=O)N[C@H]2CCCS2(=O)=O)n1 72265543 DKBNGKXPYZLJLY-SECBINFHSA-N 306.434 1.195 0 40 DDAB CC(C)(C(=O)N1CCC[C@H](n2cncn2)C1)n1cc(Cl)cn1 72235052 DFVSZUYFGPKGRD-LBPRGKRZSA-N 322.800 1.727 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1 72300650 WLZZYXYOCXPUFV-HIFRSBDPSA-N 311.451 1.620 0 40 DDAB Cn1cc([C@@H](O)CNC(=O)C2(c3cccc(F)c3)CCC2)cn1 79019739 CZZKZTHCHODBFU-HNNXBMFYSA-N 317.364 1.831 0 40 DDAB CN(C(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccc(C(N)=O)cc1 79243749 FZGRIAVSEHWWFO-MRXNPFEDSA-N 323.352 1.942 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC3(CO)CCC3)c2n1 95461953 ASTXHHPWLVZISG-UHFFFAOYSA-N 306.387 1.737 0 40 DDAB COC(=O)c1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 95446500 LUJNPVRIMJUCPD-ZYHUDNBSSA-N 319.361 1.591 0 40 DDAB CC(C)COC(=O)N1CCCN(C(=O)[C@H]2CCCOC2)CC1 95946643 PCFPQWOOFUZRRZ-AWEZNQCLSA-N 312.410 1.740 0 40 DDAB O=C1[C@H](SC[C@H](O)CO)CCN1c1ccccc1Cl 95963816 DNVZWLAAVRKIIN-BXKDBHETSA-N 301.795 1.532 0 40 DDAB CN(C)c1cccc(CNC(=O)NCCc2ccnn2C)c1 95941251 KHXTXCKGGDJDQX-UHFFFAOYSA-N 301.394 1.528 0 40 DDAB CCN(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 95993950 USPUBVAKZHNDHR-CQSZACIVSA-N 310.419 1.920 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 95961077 IXBXJDDJPROHAZ-WCQGTBRESA-N 300.380 1.383 0 40 DDAB C[C@@H](CO)CS(=O)(=O)Cc1cccc(Br)c1 95994619 MCLJHFTVASVLIJ-VIFPVBQESA-N 307.209 1.992 0 40 DDAB O=C(NC[C@@H](O)CO)Nc1ccccc1Cc1ccccc1 95977165 AVTTXCFPYDVKMD-OAHLLOKOSA-N 300.358 1.752 0 40 DDAB CC(C)Oc1ccccc1C(=O)N1CC[C@H](OCC(N)=O)C1 75094471 RCYUIUGXOWMHMC-LBPRGKRZSA-N 306.362 1.190 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCC1CCC1 75121591 ZCOXMEVHHCMITN-UHFFFAOYSA-N 312.373 1.599 0 40 DDAB O=C1C[C@H](C(=O)NC2CCCC2)[C@@H](C(=O)NC2CCCC2)C1 75109864 KYAXAACVGMSGQF-GJZGRUSLSA-N 306.406 1.699 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)C[C@@H](C)O1 89704983 LAMLENQIUACMRT-TXEJJXNPSA-N 305.378 1.147 0 40 DDAB O=C(N1CCN(Cc2cccc(O)c2)CC1)C1(O)CCCCC1 86590722 ZMHNOFFQQADERY-UHFFFAOYSA-N 318.417 1.732 0 40 DDAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](O)C1 61706707 VVEPZEYUGIZNCS-VIFPVBQESA-N 306.181 1.204 0 40 DDAB COC(=O)c1sccc1NC(=O)c1nccnc1C(=O)O 32096472 FJIWKLJEWUQMQR-UHFFFAOYSA-N 307.287 1.275 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)/C=C/c2ccco2)n1 33758849 JYZRPSVQTDHLAY-VOTSOKGWSA-N 320.378 1.593 0 40 DDAB CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccn2c(O)nnc12 548403862 LVEOETVTYVJXRQ-LBPRGKRZSA-N 317.393 1.285 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306144804 ZPAOFYQVBZTAJJ-NSHDSACASA-N 309.341 1.372 0 40 DDAB N[C@]12CC[C@H]1CN(C(=O)NCc1cnccc1C(F)(F)F)C2 1553504620 CTFBVHUKRNILQZ-GWCFXTLKSA-N 314.311 1.733 0 40 DDAB CCN(C(=O)CN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392900 ZERGXOGGBVDSNZ-OAHLLOKOSA-N 319.405 1.595 0 40 DDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccncc2)c1 124510257 FBQHDCWEHADOAW-UHFFFAOYSA-N 320.370 1.655 0 40 DDAB Cc1ncsc1COC(=O)c1ccccc1OCC(N)=O 78984910 MJZSPPMLIYGQFF-UHFFFAOYSA-N 306.343 1.673 0 40 DDAB CC(C)NC(=O)Cn1nc(-c2cc3c(s2)CCC3)oc1=O 72346465 OTMLCHQULYGCBO-UHFFFAOYSA-N 307.375 1.578 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218516196 GOFMPXOHXQZUAS-MELADBBJSA-N 301.383 1.318 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1cccs1 72239741 KYHUVUOQAABOAG-YPMHNXCESA-N 308.403 1.534 0 40 DDAB CCOC[C@@H](O)CN1CCN([C@H](C)c2cccc(OC)c2)CC1 79099926 QVSBGGJIOTXFKR-WBVHZDCISA-N 322.449 1.771 0 40 DDAB O=S(=O)(NCCN1CCCC1)c1cnc2ccccc2c1 328610055 NJTPBFZBPRMEJR-UHFFFAOYSA-N 305.403 1.609 0 40 DDAB Cn1ncnc1CNC(=O)c1c(O)cc(Cl)cc1Cl 80033896 DARHUIPVBZGVGI-UHFFFAOYSA-N 301.133 1.758 0 40 DDAB COCCOC1CN(C(=O)c2ccc(-n3ccnc3)cc2)C1 81843001 AOLSXNZPYOBPPU-UHFFFAOYSA-N 301.346 1.360 0 40 DDAB O=C(NCCc1c[nH]cn1)c1ccnc(O[C@@H]2CCSC2)c1 225724045 NVAVDHVEZKEMNS-CYBMUJFWSA-N 318.402 1.662 0 40 DDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccoc1Cl 225789281 BOLDGOANGCOWSL-RNFRBKRXSA-N 323.754 1.190 0 40 DDAB O=C(CCNCc1cccc2cn[nH]c12)NCc1ccncc1 84019659 YHRCZEHWIWOZCX-UHFFFAOYSA-N 309.373 1.754 0 40 DDAB COC[C@@H](O)CN(C)C(=O)c1ccc(F)c(Br)c1 87451929 HBQUUJPZXJCDNY-VIFPVBQESA-N 320.158 1.668 0 40 DDAB CN(C)CCN(c1cccc(Br)c1)S(C)(=O)=O 195573745 ZQXHTGZJAHHNNL-UHFFFAOYSA-N 321.240 1.777 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCN1CC(F)F 195554938 MEBGBWUECPWZNR-HIFRSBDPSA-N 311.376 1.874 0 40 DDAB O=C(O)[C@H](c1ccccc1C(F)(F)F)N1CCS(=O)CC1 573690402 XAOPZVHDSDBVJM-NSHDSACASA-N 321.320 1.895 0 40 DDAB CCOc1cc(N2CCC[C@H]([C@@H](O)c3nccn3C)C2)ncn1 195567144 QNZHJRGRVGNIGT-SWLSCSKDSA-N 317.393 1.559 0 40 DDAB O=C(c1ccccn1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96184456 BHDHYKRROAXQGQ-SJORKVTESA-N 315.417 1.797 0 40 DDAB O=C(COCc1nc(-c2ccncc2)no1)NCc1ccco1 96182032 IVUGFFOTEOTVTC-UHFFFAOYSA-N 314.301 1.558 0 40 DDAB Cc1ccc(CN2CCn3cc(Cn4cncn4)nc3C2)s1 96197362 VHNJWAKBAWDKCF-UHFFFAOYSA-N 314.418 1.909 0 40 DDAB Cc1ccnn1-c1cccc(NC(=O)N[C@@H]2CCN(C)C2=O)c1 96415849 KZLSDHYJRWJIEP-CQSZACIVSA-N 313.361 1.533 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCOC2)o1 96184704 BOKGJPGAZXLCCO-VNQPRFMTSA-N 304.390 1.800 0 40 DDAB O=C(c1ccco1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025338 DRUXMEAYPXKOFM-ZDUSSCGKSA-N 305.355 1.968 0 40 DDAB O=C(c1ccsc1)N1CC2(CCN(c3ncccn3)C2)C1 96202588 RWIHFQCYIRSMIV-UHFFFAOYSA-N 300.387 1.891 0 40 DDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccoc1)CC2 96058965 AFHYHVTXIJOYOI-UHFFFAOYSA-N 315.377 1.052 0 40 DDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3ccco3)CC2)C1 96047813 ZXRLOGNVSRMSGU-HNNXBMFYSA-N 322.405 1.508 0 40 DDAB CS(=O)(=O)CCC(=O)Nc1ccc(F)c(-n2cccc2)c1 96404644 VHRLGNAXXRTLOQ-UHFFFAOYSA-N 310.350 1.990 0 40 DDAB CC1(c2nccs2)CCN(S(=O)(=O)c2cn[nH]c2)CC1 257266523 MDJNOQPEJJVPNY-UHFFFAOYSA-N 312.420 1.609 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 257300490 RUNAQJRYOJCAGH-OAHLLOKOSA-N 320.437 1.222 0 40 DDAB Cc1cc(CN2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)no1 257261337 LGWNOTGBJXRFIC-GFCCVEGCSA-N 324.406 1.837 0 40 DDAB COc1ccc(C)cc1CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 257269968 MSFVUSJLBLZXJB-HZPDHXFCSA-N 318.417 1.214 0 40 DDAB C[C@@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)[C@H]1CO 252551387 UDUMQPDMELFSDM-VWYCJHECSA-N 309.332 1.035 0 40 DDAB Cc1nc2ccc(N3C(=O)N[C@H]4CS(=O)(=O)C[C@H]43)cc2s1 575420526 CLFKJYYJVJBKDC-WDEREUQCSA-N 323.399 1.300 0 40 DDAB COc1nc(CNC(=O)Cc2ccc(F)cc2F)nc(OC)n1 575604244 VHBQJOLEURUPOR-UHFFFAOYSA-N 324.287 1.026 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1c[nH]nc1C 585292062 WPFIPPUMLZFWOB-WMLDXEAASA-N 320.437 1.756 0 40 DDAB CN(C)C/C=C/C(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585290618 YPNDGEMIQRTDEV-BRBWODKKSA-N 302.418 1.556 0 40 DDAB CCCNC(=O)CCNC(=O)C1=NO[C@@H](c2ccccc2)C1 53142570 QFONXUFLLHXQPI-CQSZACIVSA-N 303.362 1.537 0 40 DDAB COCCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69537640 FSZLMJABWKRXPL-ZDUSSCGKSA-N 316.398 1.215 0 40 DDAB Cc1ncsc1C(=O)N1CCCN(c2cccnn2)CC1 71860343 IHESXRDCLHRUJV-UHFFFAOYSA-N 303.391 1.594 0 40 DDAB O=C(NC1CCCCC1)N1CCN(CCn2ccnc2)CC1 75158031 GJOBEQHNIYQNPS-UHFFFAOYSA-N 305.426 1.543 0 40 DDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3o2)C1 84935952 ZWUAAUDRGJONKI-LLVKDONJSA-N 308.359 1.319 0 40 DDAB COC[C@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 13717402 BEEQZZBQLALCKB-NSHDSACASA-N 304.346 1.214 0 40 DDAB Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@H](c1ccccc1)CC3=O 19819861 YDXDSBMSHROXBO-JTQLQIEISA-N 306.325 1.813 0 40 DDAB Cc1cc2cc(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)ccc2o1 643586233 MKKIKECXDLSQSM-FMKPAKJESA-N 319.357 1.181 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1c(F)cccc1F 3505714 PLBVFIMHHMJOOX-UHFFFAOYSA-N 323.299 1.768 0 40 DDAB Cn1ccc2c(N3CC[C@H](C(=O)NC(C)(C)C)C3)ncnc21 1889085192 AISFEWVBKQFFJK-NSHDSACASA-N 301.394 1.709 0 40 DDAB COc1cc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)ncn1 1889099062 HJPRIZCHJRXQED-GFCCVEGCSA-N 322.434 1.277 0 40 DDAB CC(C)(O)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1889108775 IPTMAJRLXGXIFL-AWEZNQCLSA-N 314.389 1.554 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1ccc(F)c(Br)c1 2002109225 FYZHLZNOEIEZRA-UHFFFAOYSA-N 318.979 1.842 0 40 DDAB COCc1ccc(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc1 1614928197 AESJUXKVXPVOTN-JKSUJKDBSA-N 304.390 1.236 0 40 DDAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccno3)o2)c1 10254070 XBRXNZOXPSVHAN-UHFFFAOYSA-N 316.273 1.994 0 40 DDAB O=C1CN(C(=O)c2csc(Nc3ccccc3)n2)CCN1 23136740 MJPAIFHMEOYLIL-UHFFFAOYSA-N 302.359 1.459 0 40 DDAB O=C(NCCN1C(=O)COC1=O)c1cccc(C(F)(F)F)c1 575616114 JHHLBXIITXZQQP-UHFFFAOYSA-N 316.235 1.414 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40513669 QREXPDGSJNQYPW-RYUDHWBXSA-N 324.812 1.642 0 40 DDAB Cn1ncc2c(=O)n(C[C@H](O)c3ccccc3Cl)cnc21 51290447 IOWKGQWRYXOPCC-LBPRGKRZSA-N 304.737 1.517 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1ccc(N2CC=CC2)cc1 101265526 BIADBRMTKCXMLH-UHFFFAOYSA-N 317.345 1.065 0 40 DDAB Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)sc1C 32243158 RNBSPTSKQMINDR-UHFFFAOYSA-N 321.446 1.401 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)Nn1cnc2ccccc21 29808772 QCSQVUYYONQWPQ-UHFFFAOYSA-N 319.324 1.517 0 40 DDAB NC(=O)[C@H]1CCCCN1Cc1ccc(C(=O)N2CCCC2)cc1 32869442 DJRFPZAWVXBRNQ-MRXNPFEDSA-N 315.417 1.762 0 40 DDAB CC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ncccn1 4897529 XDSRHFYJBYGPBL-UHFFFAOYSA-N 314.301 1.231 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 6204996 MTGRWHDDDGKLLX-STQMWFEESA-N 312.391 1.286 0 40 DDAB CCn1cc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)cn1 2782487 HDVREAJXUJIUAP-UHFFFAOYSA-N 315.299 1.928 0 40 DDAB CC(=O)NCCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 41317127 IOGJZTYIBSHDDT-CQSZACIVSA-N 310.781 1.766 0 40 DDAB O=C1C[C@H](N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1 23624955 XXLGELKARXGWSI-ZDUSSCGKSA-N 308.765 1.300 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCCOC1CCCC1 57926024 JVMHETNFSNNYNF-UHFFFAOYSA-N 302.396 1.919 0 40 DDAB COCCC(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)[C@H]2C1 107798230 RDHSLNLAUJOYIN-ZFWWWQNUSA-N 322.380 1.513 0 40 DDAB C[C@H]1Oc2ccc(Nc3ncnc4c3cnn4C)cc2NC1=O 12585565 YAXBJCZCOIDOKK-MRVPVSSYSA-N 310.317 1.826 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@H]1OCCc2ccccc21 43511129 ATTKFHVKHXEYHH-WFASDCNBSA-N 307.371 1.377 0 40 DDAB CC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1C[C@H](C)O 107351160 PGGYZSXEFHOUIK-XJKSGUPXSA-N 323.481 1.068 0 40 DDAB CC[C@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1C[C@H](C)O 107320784 XLMHVTGJYRYODE-STQMWFEESA-N 320.412 1.979 0 40 DDAB NC(=O)[C@H](NC(=O)CCOCc1ccccc1)c1ccccc1 57447723 PEFRMRODNPMNDE-QGZVFWFLSA-N 312.369 1.936 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ncoc1[C@@H]1CCCO1 72285414 SAQYYMDBFLYPGS-QWRGUYRKSA-N 302.334 1.467 0 40 DDAB C[C@H]1CN(CC(=O)NC(=O)NCCC2=CCCCC2)C[C@@H](C)O1 12614650 ZVPPOLXIJBGPIQ-OKILXGFUSA-N 323.437 1.812 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCCNC1 44502399 NGYFSVAPTGHLOI-NSHDSACASA-N 302.827 1.926 0 40 DDAB CC[C@@H]1CCCN(C(=O)CCn2cnc3c(cnn3C)c2=O)C1 27153422 XESBHSSIYPYDOI-GFCCVEGCSA-N 317.393 1.169 0 40 DDAB COC(=O)[C@@H]1CCCCN1Cc1nnnn1-c1ccccc1 27562533 DTJXKGUSULKOSG-ZDUSSCGKSA-N 301.350 1.190 0 40 DDAB Cc1csc(=O)n1CCC(=O)NC[C@@H](c1ccco1)N(C)C 44870654 LNKYZENPDOTRGJ-LBPRGKRZSA-N 323.418 1.620 0 40 DDAB Cc1nnc(SCc2ccccn2)n1CCN1CCOCC1 26521346 SHPKTVQRSYXXEE-UHFFFAOYSA-N 319.434 1.606 0 40 DDAB CCCCc1noc([C@H](C)N2CCN(C(=O)COC)CC2)n1 44950682 IJYDKAIFEPTBDF-LBPRGKRZSA-N 310.398 1.264 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCO3)cn2)CCO1 44943711 QOQIUYCASNLOTP-OCCSQVGLSA-N 305.378 1.102 0 40 DDAB Cc1ccc(OCCC(=O)NC[C@H]2CN(C)CCO2)cc1C 58331004 PRIVMUHIVKHQBC-INIZCTEOSA-N 306.406 1.519 0 40 DDAB O[C@H](CNC[C@@H]1CNc2ccnn2C1)COc1cccc(F)c1 58309860 UGKKMBSRVPEZFN-TZMCWYRMSA-N 320.368 1.093 0 40 DDAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1F)[C@@H]1CCCO1 27909827 AVMIKJQQBYDEOT-BPNCWPANSA-N 323.368 1.609 0 40 DDAB Cc1occc1C(=O)NCc1cccc(NS(C)(=O)=O)c1 11360334 LKELAXHMCSTXND-UHFFFAOYSA-N 308.359 1.890 0 40 DDAB CCOC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1O 3438927 NQMHZAJGKBVHRC-UHFFFAOYSA-N 317.297 1.975 0 40 DDAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(N)=O)C1=O 3595107 BMLDGZLBVRSISX-GFCCVEGCSA-N 316.144 1.246 0 40 DDAB Cc1ccccc1CCNC(=O)COC(=O)c1cccnc1N 12997321 KLURKFAQTOFKFT-UHFFFAOYSA-N 313.357 1.488 0 40 DDAB Cc1noc(C)c1CNC(=O)Nc1cccc(S(N)(=O)=O)c1 60063848 BKASBAICCWJGAT-UHFFFAOYSA-N 324.362 1.261 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1 13118094 DNXZZQJSOGXNHD-FZMZJTMJSA-N 310.419 1.903 0 40 DDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCC1 6266680 WCIWUSOPHPYRHA-UHFFFAOYSA-N 324.402 1.446 0 40 DDAB NC(=O)CC1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 65407803 ZQOKCYWWIZIVNT-CQSZACIVSA-N 317.389 1.287 0 40 DDAB CC(C)(C)OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 4475955 KNDYMJUMZGQECC-MRXNPFEDSA-N 304.346 1.795 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(C)c(C)c2)C1=O 65536789 WHQXJFHAZFMOFG-UKRRQHHQSA-N 304.390 1.807 0 40 DDAB CN1CC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 14129030 ALUHXMONCONESR-UHFFFAOYSA-N 313.260 1.121 0 40 DDAB NC1=N[C@]2(N=C(Nc3ccccc3)N1)C(=O)Nc1ccccc12 19319844 QHFUKYFXDBWFQF-MRXNPFEDSA-N 306.329 1.178 0 40 DDAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1cnc2ccccc2n1 66657302 FGXLTQYLTVQOHS-CYBMUJFWSA-N 316.386 1.233 0 40 DDAB O=C(O)Cc1csc(NC(=O)Cc2ccccc2C(=O)O)n1 71281941 RHUQJLPREITZPS-UHFFFAOYSA-N 320.326 1.650 0 40 DDAB COC(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)c(OC)c1 7033447 YRIYGJQHAQYIMJ-LBPRGKRZSA-N 323.345 1.156 0 40 DDAB Cn1ncc(N2CCN(c3ncccc3F)CC2)c(Cl)c1=O 90144475 UYJPPCQWOHKKIL-UHFFFAOYSA-N 323.759 1.294 0 40 DDAB Cc1cccnc1CN1CCCC[C@H]1C(=O)N1CCOCC1 93171425 ZKGZTDXGQCSLSA-INIZCTEOSA-N 303.406 1.603 0 40 DDAB O=C(COC(=O)c1cc(Cl)ccc1O)NC[C@@H]1CCCO1 7506047 LMZXMDKNXMUPIK-JTQLQIEISA-N 313.737 1.498 0 40 DDAB C[C@H](c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 68001313 VMXIWHJXIIPACC-OCCSQVGLSA-N 301.390 1.860 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2 7990987 QABIOPGXVFALMA-CQSZACIVSA-N 301.346 1.173 0 40 DDAB CC(=O)c1ccccc1OCCn1cc(Cl)c(=O)[nH]c1=O 91329506 LTKHIJCRCUGGBB-UHFFFAOYSA-N 308.721 1.472 0 40 DDAB NC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 16815233 IKYIBVLSQDZMBB-UHFFFAOYSA-N 313.288 1.790 0 40 DDAB OCCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CC1 69321778 UMEBKAOYWXDUCZ-UHFFFAOYSA-N 303.318 1.422 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 69518156 CDDQXVFYCVULLF-CYBMUJFWSA-N 320.393 1.093 0 40 DDAB Cn1cc(CN2CCCN(C(=O)C[C@H]3C=CCC3)CC2)cn1 69628670 AWIWJBGPFKCMEW-HNNXBMFYSA-N 302.422 1.811 0 40 DDAB CCn1ccnc1CN1CCN(c2nc(C)cc(OC)n2)CC1 69667821 KQGTTZNHUMOCRY-UHFFFAOYSA-N 316.409 1.332 0 40 DDAB CC[C@](C)(CO)NC(=O)Nc1ccc(N2CCOCC2)nc1 72289108 GNRHVAQBVBZJMG-OAHLLOKOSA-N 308.382 1.201 0 40 DDAB O=C(NCCCS(=O)(=O)c1nccs1)C1CCCC1 96485840 OXHCBMQVLVXZAL-UHFFFAOYSA-N 302.421 1.613 0 40 DDAB CC1(C)C[C@H]1CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 96417764 HGTSIQQUQWOCFB-QMMMGPOBSA-N 317.315 1.868 0 40 DDAB O=C(CCCn1ccnc1)N1CCN(c2ccc(O)cc2)CC1 72294930 RBLZJTDGPRCZAV-UHFFFAOYSA-N 314.389 1.718 0 40 DDAB C[C@H](C(=O)N(C)C1CCN(c2ccccn2)CC1)n1ccnc1 71850991 SVLAWMQVFNTJPG-CQSZACIVSA-N 313.405 1.967 0 40 DDAB CC(=O)N1CCCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 71820848 LENBNBBADPSJGR-UHFFFAOYSA-N 304.346 1.039 0 40 DDAB Cn1cc(C(=O)N2CCCn3ncnc32)c(C(F)(F)F)n1 71839387 CEGRSRYATXYPPO-UHFFFAOYSA-N 300.244 1.081 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)cn1 71847718 LIYGJWWIISMQPE-INIZCTEOSA-N 309.369 1.921 0 40 DDAB CCc1noc([C@H](C)N2CCN(Cc3noc(C)n3)CC2)n1 71871597 ZYNOKPTZNBNCGV-JTQLQIEISA-N 306.370 1.202 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cccc3cn[nH]c23)C1 97235525 RPPGZNSONVLSSH-ZDUSSCGKSA-N 308.407 1.077 0 40 DDAB Cc1cccc(CNC(=O)Cn2c(C)nn(C(C)(C)C)c2=O)c1 97235201 RNUXAAFOJMTBPA-UHFFFAOYSA-N 316.405 1.733 0 40 DDAB C[C@H]1CCC[C@@H](OCC(=O)N(C)CC(=O)NCC(F)(F)F)C1 95395995 CJEVJITXMOODEO-WDEREUQCSA-N 324.343 1.719 0 40 DDAB Cc1ccc(C(=O)NCCc2ccccn2)c(-n2cnnn2)c1C 79473694 KTTZWLPHFICDBZ-UHFFFAOYSA-N 322.372 1.647 0 40 DDAB CN(CCN1CCOCC1)C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 89346228 VFPLBHFGMIJKTK-HOTGVXAUSA-N 321.396 1.655 0 40 DDAB O=C(NCCCn1cncn1)c1ccc(-c2ccco2)[nH]c1=O 75125434 XXWPVRFHAKYRDA-UHFFFAOYSA-N 313.317 1.047 0 40 DDAB CCN1N=C(C(=O)N(C)Cc2cccc(OC)c2)CCC1=O 75134351 LYGADIYFRLAIIO-UHFFFAOYSA-N 303.362 1.652 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ncc[nH]3)C2)C1=O 89869778 OCNMZNLLQOLIPP-MLGOLLRUSA-N 319.409 1.341 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CCCC1)CC2 89977543 LKULZIGNCFOOGZ-UHFFFAOYSA-N 320.414 1.984 0 40 DDAB Cc1nccc(NC(=O)N2CCCN(CC(F)(F)F)CC2)n1 408351381 DITXEQUWRRLSQX-UHFFFAOYSA-N 317.315 1.887 0 40 DDAB Cc1cn2c(=O)cc(CN3C[C@@H](O)CC(F)(F)C3)nc2s1 1548453346 KNXWNVZBCYWBDW-JTQLQIEISA-N 315.345 1.266 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 65404060 IGLQNVKBIMNLLX-CYBMUJFWSA-N 319.405 1.116 0 40 DDAB COCCCNS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 408621035 KVCJUXAUEPULSH-UHFFFAOYSA-N 300.380 1.268 0 40 DDAB O=C(O)C[C@@H]1CCCN(c2ccc3nnc(C(F)F)n3n2)C1 519407351 HJAHBUNBSSQWTI-QMMMGPOBSA-N 311.292 1.753 0 40 DDAB CCCn1ncnc1CN1CC2(CCOCC2)CC[C@@H]1CO 528646491 VAGSHWXYTNBZEK-CQSZACIVSA-N 308.426 1.442 0 40 DDAB O=C(O)CCCC(=O)Nc1ncn(Cc2ccc(F)cc2)n1 32648599 UDALDHYVUWOWMH-UHFFFAOYSA-N 306.297 1.659 0 40 DDAB COCCn1ccc(C(=O)N2C[C@@H](C)Oc3ncccc32)n1 188068949 UQVNCTOGSFQDPT-LLVKDONJSA-N 302.334 1.352 0 40 DDAB Cn1c(N2CCC(O)CC2)nc2sc3c(c2c1=O)CCCC3 72239487 RDTMZBMQPQJNHR-UHFFFAOYSA-N 319.430 1.835 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32100904 DKTORWIYIGOYGJ-CYBMUJFWSA-N 322.372 1.979 0 40 DDAB O=S(=O)(CCc1ccccc1)NC[C@H](O)Cc1ccccc1 70639301 YPFQQVYSEYHBBG-QGZVFWFLSA-N 319.426 1.752 0 40 DDAB COC[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218406402 OPPUZBNOEFEWEZ-NTZNESFSSA-N 318.778 1.568 0 40 DDAB COC(=O)CCN(Cc1cn2ccccc2n1)C[C@@H]1CCCO1 79354543 IPNOAJANWIGNQC-HNNXBMFYSA-N 317.389 1.878 0 40 DDAB O=C(c1ccco1)N1CCN(C(=O)c2n[nH]cc2Cl)CC1 32611005 XDYCCIFBAJLAIF-UHFFFAOYSA-N 308.725 1.254 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cc(N3CCCC3)ncn2)C1 72364658 UKZPDYWLTIHACI-ZDUSSCGKSA-N 324.450 1.291 0 40 DDAB Nc1cc(C(=O)O)ccc1Sc1nnc(C(F)(F)F)n1N 78406665 RIUFJYAJRXQDGN-UHFFFAOYSA-N 319.268 1.442 0 40 DDAB CN1CCN(c2ncc(NC(=O)c3ccccc3F)cn2)CC1 75161852 LJYYNGYMDKMYJU-UHFFFAOYSA-N 315.352 1.620 0 40 DDAB Cc1cc(C)n(CCCNC(=O)c2nnc3ccccc3n2)n1 46088117 LBVJPAZHHKQMKL-UHFFFAOYSA-N 310.361 1.658 0 40 DDAB CC(C)N(C)S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 44944669 RGXGGMVWBSDZRT-UHFFFAOYSA-N 300.380 1.432 0 40 DDAB CC(C)c1noc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 41123168 DLEPAGGQQSISGV-LLVKDONJSA-N 303.366 1.946 0 40 DDAB Cc1ccc2c(c1)[C@@H](NCCN1CCCS1(=O)=O)[C@@H](C)C2 195553733 GBLQDOGNHTUWTR-BBRMVZONSA-N 308.447 1.853 0 40 DDAB O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc2ccccc12 40169248 DQZDFAARQFFNCY-JSGCOSHPSA-N 302.355 1.535 0 40 DDAB NC[C@@H]1CCN(c2ccccc2Br)S1(=O)=O 222542657 LFEOWHOVXPKGND-QMMMGPOBSA-N 305.197 1.316 0 40 DDAB CC(=O)[C@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 227033697 HQLNHYMBWSJHJX-UDOHHAEJSA-N 311.337 1.542 0 40 DDAB COCCC(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96042318 UBPXLYUWUKRZLH-KCQAQPDRSA-N 324.352 1.394 0 40 DDAB CCCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344029 BWKJOXKVSKERHU-NSHDSACASA-N 300.362 1.832 0 40 DDAB Cn1cc(NC(=O)CCCc2cccs2)c(=O)n(C)c1=O 96418375 XYHZWVWDDLHHSI-UHFFFAOYSA-N 307.375 1.107 0 40 DDAB Cc1nnc(N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)s1 96041153 UFNPICNNCFXVFJ-RWMBFGLXSA-N 322.434 1.310 0 40 DDAB O=C(c1cnccn1)N1CC2(CCN(c3nccs3)C2)C1 96070863 YDUUPMSPNJCMIW-UHFFFAOYSA-N 301.375 1.286 0 40 DDAB C[C@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc(-n2cnnn2)cc1 90454053 XUAAZEVHSAITNP-FZMZJTMJSA-N 309.377 1.594 0 40 DDAB Cc1cc(-c2nnc3sc(-c4csnn4)nn23)n(C)n1 95480398 SECZNPVKZRRVHZ-UHFFFAOYSA-N 304.364 1.413 0 40 DDAB O=C([C@H]1CCCN1Cc1ccncc1Cl)N1CCOCC1 96441384 UIRRSIMBEZZOMD-CQSZACIVSA-N 309.797 1.558 0 40 DDAB CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@]2(CN(C)C)C1 96110949 JIPORTAFDHLKBB-WBMJQRKESA-N 324.446 1.797 0 40 DDAB CCOC[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242592227 ONIIGKKBVHFCNV-XQQFMLRXSA-N 303.811 1.584 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257248134 JCGAZFUXIINGSE-LBPRGKRZSA-N 321.812 1.985 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1ccccc1 42869212 DEHXGNHTTWHCAF-CABCVRRESA-N 322.430 1.590 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(C)cc1 257325726 WUDZOHKOINMODI-WBVHZDCISA-N 318.417 1.745 0 40 DDAB Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257233402 GPDFXVMLQCCFRQ-HUUCEWRRSA-N 324.371 1.911 0 40 DDAB O=C(c1cscn1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257207261 BHALPIVVXNIRIQ-LLVKDONJSA-N 320.374 1.113 0 40 DDAB COCCN1CCC(Cc2cncc(-c3cc[nH]n3)n2)CC1 257308684 TXRYBSXRWDFLQE-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2ccccn2)C1 257297738 RIQNJIRNHMLFKH-ZDUSSCGKSA-N 319.796 1.717 0 40 DDAB CC(=O)N1CC[C@@H](Cc2nccnc2-c2c(C)nn(C)c2C)C1 257231019 GEWPAPUYHVZXFK-AWEZNQCLSA-N 313.405 1.905 0 40 DDAB CC(=O)N1CCC(Cc2cncc(N3C[C@H](C)OC3=O)n2)CC1 257322629 WGTMEXLUOQFDPU-NSHDSACASA-N 318.377 1.623 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2coc(C)n2)n1 257308265 TWCQRMXZTKXEBD-LBPRGKRZSA-N 304.306 1.001 0 40 DDAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)Cc1cccnc1 257308884 TYPKMWFWAVFVDB-HUUCEWRRSA-N 301.390 1.626 0 40 DDAB O[C@@H]1[C@@H](N2CCCCC2)[C@H](O)C[C@@H]1CNCc1ccccc1 257274803 NMSDGZNQCQINJF-BDXSIMOUSA-N 304.434 1.372 0 40 DDAB CCN(Cc1cnc2ccccn12)C(=O)c1cn(C)nc1OC 96025067 FMTHNQOCVRXJJC-UHFFFAOYSA-N 313.361 1.739 0 40 DDAB Cc1ccc2c(C)c(CN(C)C[C@@H]3COC[C@@H](O)[C@H]3O)oc2c1 585291928 STNNXYUKXCKVKS-SIIHOXLZSA-N 319.401 1.850 0 40 DDAB CCOC(=O)[C@H](F)[C@H]1CCN(c2cc(C)nc(COC)n2)C1 585142287 RZHOCGUDZZYBNG-SMDDNHRTSA-N 311.357 1.659 0 40 DDAB CN(CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)CC(C)(C)C 585139588 BFGFBCWHNMEUJW-OAHLLOKOSA-N 323.481 1.729 0 40 DDAB CCc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 44457607 JBBZHYRYMFELDK-VIFPVBQESA-N 323.461 1.024 0 40 DDAB CCN(CC(=O)OCC(=O)N(C)C)Cc1ccc(Cl)cc1 69975345 BEAQZULQOXPOFE-UHFFFAOYSA-N 312.797 1.793 0 40 DDAB CC(C)(NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(N)=O 65422530 BIVBXUYVOZGSMB-UHFFFAOYSA-N 312.373 1.355 0 40 DDAB COCCN1C[C@H](C(=O)N2CCC[C@@H]2c2cc(C)no2)CC1=O 71821555 FUJGZRJCXBABAG-CHWSQXEVSA-N 321.377 1.141 0 40 DDAB CCn1c(=O)n(CC(=O)O[C@@H]2CCCCC2=O)c2ccccc21 83840149 NHFOQWKNJFIRGT-OAHLLOKOSA-N 316.357 1.878 0 40 DDAB CCNC(=O)[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2F)C1 95442959 YPAYWTKWAFRKRE-AWEZNQCLSA-N 322.380 1.960 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@@H](CF)C1 882630041 SGRKFQSNCUVGLV-NSHDSACASA-N 315.366 1.828 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccccn2)c(OC)c1 5335228 LFDLBNVGMLJRBA-UHFFFAOYSA-N 308.359 1.577 0 40 DDAB CCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3Cl)c2n1 12114157 SWPJMTNCNLVRTD-UHFFFAOYSA-N 317.736 1.424 0 40 DDAB Cn1ncc2c1CCc1sc(NC(=O)c3cnccn3)nc1-2 12326977 NYHLBGUTZAOXBK-UHFFFAOYSA-N 312.358 1.685 0 40 DDAB COc1ccccc1OCCN(C)C(=O)c1ccc(=O)n(C)c1 12325783 NMZLGBTVWGZZDE-UHFFFAOYSA-N 316.357 1.545 0 40 DDAB COCCC(=O)N1CCCC[C@H]1c1cc2nc(C)cc(O)n2n1 12337800 QAIAJUPLPQBPFV-ZDUSSCGKSA-N 318.377 1.833 0 40 DDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)nn2C)cc1 13596537 SKEBDUFPZKZEPG-UHFFFAOYSA-N 321.402 1.703 0 40 DDAB CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]12 14987464 PQRURSASPIIZFM-WHCBVINPSA-N 300.358 1.881 0 40 DDAB COCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(C)c1 16386323 IFOVLPHMCVKJRO-ZDUSSCGKSA-N 307.394 1.016 0 40 DDAB COC1CCN(C2CN(S(=O)(=O)c3cccs3)C2)CC1 575611371 WDMPYWCTLWHYCA-UHFFFAOYSA-N 316.448 1.232 0 40 DDAB O=C([C@@H]1CN(c2ncnc3ccccc23)CCO1)N1CCCC1 1889130576 ROYUONGTHFLDPY-HNNXBMFYSA-N 312.373 1.457 0 40 DDAB Cc1nc(N2CCN(c3ncccn3)CC2)c2ccncc2n1 1889139111 SORBYEGMFBIVCK-UHFFFAOYSA-N 307.361 1.450 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 21820210 SWUBJZUQOVFCRF-UHFFFAOYSA-N 318.398 1.801 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)cc2C)CC1 24928920 GDANFQTUUSOJCQ-UHFFFAOYSA-N 324.446 1.847 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCO1 32471133 AAKKNBDCHBUUIS-RYUDHWBXSA-N 322.792 1.940 0 40 DDAB O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 37518408 CQMYIZIZBACJQZ-NXEZZACHSA-N 303.236 1.922 0 40 DDAB O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC2(CC1)OCCO2 13321003 MYYRWUZHEGZZRY-CLRIEMFWSA-N 323.389 1.489 0 40 DDAB NNc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1 5725563 NSMYYDMXAOTEGJ-UHFFFAOYSA-N 305.430 1.918 0 40 DDAB Cc1cccc(CS(=O)(=O)NCCn2ccn3nccc23)c1 206746075 BDEWYWARBZKHPK-UHFFFAOYSA-N 318.402 1.564 0 40 DDAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2nnc3n2CCC3)C1 2298172464 VBPILQKYOOJMDV-LBPRGKRZSA-N 305.426 1.351 0 40 DDAB CCNC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 72394735 PTBFCWLSNLEJOV-GFCCVEGCSA-N 307.394 1.227 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CNC2CCN(S(C)(=O)=O)CC2)o1 30656976 KZSUYVXWPULWCT-RISCZKNCSA-N 312.435 1.917 0 40 DDAB CC1CCN(S(=O)(=O)NCCc2cn3ccccc3n2)CC1 40496163 ILASTLFIQRVEJW-UHFFFAOYSA-N 322.434 1.443 0 40 DDAB Cc1cccc(OCC(=O)O[C@H](C)CN2CCN(C)CC2)c1 20327337 UZUNAJOHNHFZCJ-OAHLLOKOSA-N 306.406 1.553 0 40 DDAB COc1ccccc1[C@@H](C)N(C)C(=O)CN(C)S(C)(=O)=O 40508894 MZUSPMXQPJMRLT-LLVKDONJSA-N 314.407 1.106 0 40 DDAB Cc1c(NC(=O)COCC2CC2)c(=O)n(-c2ccccc2)n1C 40535351 OVGZTYXVNZQTFN-UHFFFAOYSA-N 315.373 1.850 0 40 DDAB C[C@]1(c2ccc(NC(=O)c3ccccc3)cc2)NC(=O)NC1=O 40510949 BXWJGABYIJOGKU-QGZVFWFLSA-N 309.325 1.994 0 40 DDAB C[C@@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)C[C@@H](C)O1 40553215 OQLJLGHJKQASLU-NXEZZACHSA-N 306.391 1.793 0 40 DDAB CCN(CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(OC)cc1 52038781 AAHPEHCWQLYJIR-AWEZNQCLSA-N 306.406 1.764 0 40 DDAB COCCNC(=O)c1cccc(CN2C(=O)CSC2=O)c1 29462880 XGAREPCNYJTUSD-UHFFFAOYSA-N 308.359 1.258 0 40 DDAB CCc1nc2n(n1)C[C@H](NCC[S@](=O)c1ccccc1)CC2 75603599 VYBIHHQXXJYXLN-MCMMXHMISA-N 318.446 1.553 0 40 DDAB O=C(CNC(=O)c1ccc(F)cc1)OCC(=O)c1ccc[nH]1 2617889 FEBQNNUHSBDOHM-UHFFFAOYSA-N 304.277 1.310 0 40 DDAB O=S(=O)(O)c1ccccc1C[n+]1ccccc1C1OCCO1 1653678 JHPRBNSICOUASP-UHFFFAOYSA-O 322.362 1.315 0 40 DDAB CCOC(=O)CC(=O)c1ccc(C(=O)CC(=O)OCC)cc1 1682070 OQMWAQGCEOMWNZ-UHFFFAOYSA-N 306.314 1.958 0 40 DDAB CC1=NN(C(=O)[C@H](C)n2nccc2C)[C@](O)(C(F)(F)F)C1 6790010 LAKZOKDEJPQXQG-GXSJLCMTSA-N 304.272 1.612 0 40 DDAB O=C(COC(=O)c1cc(=O)c2cc(Cl)ccc2o1)NC1CC1 7761278 LOAAEYDQOWZPQO-UHFFFAOYSA-N 321.716 1.882 0 40 DDAB CCOc1ccc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(=O)NC3)cc1 100463534 IYZUEEXKOQYADP-ZIAGYGMSSA-N 317.389 1.377 0 40 DDAB Cc1ccc(N2CC[C@H](Nc3ncnc4[nH]cnc34)C2=O)cc1 76063559 LGIJKPFBLMEUOZ-LBPRGKRZSA-N 308.345 1.879 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1N1CCOCC1 76054997 YFQWGNHINICQOY-FVQBIDKESA-N 316.401 1.342 0 40 DDAB Cn1cc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)cn1 55624623 FBYCWWDEHKDWEI-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB Cc1ccc(CN(C)C(=O)CN(C)c2ncnc3[nH]cnc23)cc1 47403111 PTXCTSLSEUDZGR-UHFFFAOYSA-N 324.388 1.756 0 40 DDAB CCNC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1 22777718 RYEOTZIGQPLCAX-OJXHRBAXSA-N 301.434 1.842 0 40 DDAB COc1cccc2cc(C(=O)N3CCN(C)CC3)c(=O)oc12 54178048 DURPGDBLPMGATN-UHFFFAOYSA-N 302.330 1.189 0 40 DDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc[n+]2[O-])C1 54223012 NLEPZGDLINVLAU-ZBFHGGJFSA-N 311.385 1.885 0 40 DDAB C[C@@H](CNC(=O)NCc1ccc(F)cc1)N1CCN(C)CC1 23247158 YNGQNAWBIXPAMA-ZDUSSCGKSA-N 308.401 1.261 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1 47693666 LDYQBJQTDCISSX-UHFFFAOYSA-N 317.349 1.052 0 40 DDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@@H]1C 23892989 SCDVDSPQRGNHJX-SMDDNHRTSA-N 317.389 1.619 0 40 DDAB O=C(c1ccccc1O)N1CCC[C@H](C(=O)N2CCOCC2)C1 55231786 KIBJLZIRLRZCJI-ZDUSSCGKSA-N 318.373 1.103 0 40 DDAB CC(C)(NC(=O)Cc1ccc(OC(F)(F)F)cc1)C(N)=O 57051239 WEJMGBMQAGOWTI-UHFFFAOYSA-N 304.268 1.508 0 40 DDAB CC(C)NC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 108369295 ATNDWYCDJZEEFC-SJORKVTESA-N 323.481 1.619 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 78881319 QAHAQQFQDJZLQE-JTQLQIEISA-N 313.379 1.045 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccncc3F)CCO2)n1 78889484 MBLVCYKJLPTRHB-GFCCVEGCSA-N 319.340 1.676 0 40 DDAB Cn1/c(=N\NC(=S)NC(=O)C2CC2)sc2ccccc21 3259339 DSCMAUJMHMSVLD-DTQAZKPQSA-N 306.416 1.456 0 40 DDAB O[C@@H](COc1ccc(F)cc1)Cn1nnc(-c2cccnc2)n1 58282038 JFVXDJSPSJAQEY-CYBMUJFWSA-N 315.308 1.314 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1ccn(-c2ccccc2)n1 58291220 IWMNNIKDZAWYBG-UHFFFAOYSA-N 322.434 1.591 0 40 DDAB CCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 44935122 NHPWREGNJISFBJ-UONOGXRCSA-N 310.394 1.503 0 40 DDAB C[C@@H](NC(=O)/C=C/c1cnn(C)c1)c1ccc2[nH]c(=O)[nH]c2c1 58385503 JYPLKWUXSOLNCJ-QLCVYAKKSA-N 311.345 1.480 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CCCCNC1=O 58392179 RIQONGJWBPCDPD-ZDUSSCGKSA-N 307.442 1.368 0 40 DDAB CN(C)[C@H](CNC[C@@H]1CNc2ccnn2C1)Cc1ccccc1 58356150 UTTOJRAVZULPKR-SJORKVTESA-N 313.449 1.687 0 40 DDAB C[C@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CC1 58424522 LHWOKBOJGGHEON-ZDUSSCGKSA-N 316.467 1.887 0 40 DDAB C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@@H](C)CO1 45448486 LYDBPWYRPSFAFV-RYUDHWBXSA-N 301.346 1.032 0 40 DDAB CS(=O)(=O)CCNCc1cccc(OCc2ccccn2)c1 62423107 UNYWGFICCDNGSI-UHFFFAOYSA-N 320.414 1.795 0 40 DDAB CC(C)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)O 8135448 DQJNAXKZLKNIPP-NSHDSACASA-N 303.318 1.152 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69875024 UVWIOCHVAHVRAX-SNVBAGLBSA-N 300.761 1.618 0 40 DDAB CCOC(=O)c1ccc(OC[C@@H](O)CNC[C@@H]2CCCO2)cc1 8326937 DVOVPCLGJKKSTR-HOCLYGCPSA-N 323.389 1.372 0 40 DDAB CCCOc1ccccc1NC(=O)C[C@@H]1SC(=N)NC1=O 18286132 JBDKZZYROLINBI-NSHDSACASA-N 307.375 1.970 0 40 DDAB CCN(C)CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 65403843 WMBLCTIJTIDKCQ-UHFFFAOYSA-N 313.442 1.701 0 40 DDAB COc1ccccc1[C@H](C)N(C)CC(=O)NC[C@@H]1CCCO1 65605240 SIVSVCZPOUGOFY-KBPBESRZSA-N 306.406 1.983 0 40 DDAB CCNC(=O)NC(=O)CSc1nncn1-c1ccccc1C 4501080 QVDZUGOYZAYHEU-UHFFFAOYSA-N 319.390 1.514 0 40 DDAB CCn1cc(-c2cccc(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2 4814563 JXDWKDISHAKMMB-UHFFFAOYSA-N 316.748 1.782 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(F)cc1 6909601 QDKLJZFZNNHXNM-UHFFFAOYSA-N 311.316 1.921 0 40 DDAB CC(C)c1nc(CCNC(=O)N[C@@H](C)C(=O)N(C)C)cs1 69587497 VMPYHEHZMPHGIH-JTQLQIEISA-N 312.439 1.585 0 40 DDAB O=C(CCn1ccnn1)N1CCO[C@@H](c2ccccc2F)C1 67192364 UKVZGWBRQJGKDY-CQSZACIVSA-N 304.325 1.407 0 40 DDAB CC(C)c1nnc2n1CCN(Cc1nc(N)c3ccccc3n1)C2 69629201 RFDVXQWOBPPPJD-UHFFFAOYSA-N 323.404 1.943 0 40 DDAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCC(=O)N3)c2cc1C 7038509 QPHKYNZCJRCJJJ-ZDUSSCGKSA-N 315.325 1.732 0 40 DDAB COc1ccccc1N1CCN(c2ncnc3c2cnn3C)CC1 8583106 IVRPZSQLORCONO-UHFFFAOYSA-N 324.388 1.699 0 40 DDAB CN1CC2(Cc3c1ccc1ccccc31)C(=O)NC(=O)NC2=O 9015982 WTLOGOZQWHAVJZ-UHFFFAOYSA-N 309.325 1.185 0 40 DDAB O=C(NC[C@@H](O)C1CC1)Nc1cnn(Cc2ccccc2)c1 78964740 BXEXTAFMJCELCB-OAHLLOKOSA-N 300.362 1.824 0 40 DDAB CCc1nc(CNc2cc(OC)c(OC)cc2C(=O)OC)n[nH]1 96011654 QRRPWDOHQWMHKO-UHFFFAOYSA-N 320.349 1.783 0 40 DDAB CC[C@@H]1CN(c2nc(C)cc(N(C)C)n2)CCN1C[C@@H](C)O 72276335 YRPCXCIUJZBLCR-ZIAGYGMSSA-N 307.442 1.132 0 40 DDAB CCN1CCO[C@H](CNCc2nccn2CC(F)(F)F)C1 72268793 BFPCMIDHTGEYMB-LLVKDONJSA-N 306.332 1.256 0 40 DDAB COc1ccc(CNC(=O)Cn2c(C)cc(O)cc2=O)cc1 96231478 XNSPAOGNLIXODW-UHFFFAOYSA-N 302.330 1.187 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)CCc3ccccn3)CC2)S1 72298020 SCTRIMMWNLQYFO-ZDUSSCGKSA-N 318.446 1.650 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCSc2c(F)cccc21 72270105 MJLIXYZZUIQKJS-BXKDBHETSA-N 323.393 1.893 0 40 DDAB Cc1nc(CN(C)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cs1 84274676 UGSDXIJMBDEWLA-LLVKDONJSA-N 324.450 1.992 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccncc1 24581910 ZIIJCHGJKQWFKH-AWEZNQCLSA-N 301.346 1.745 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@@H]2c2cnn(C)c2)no1 71797261 LQNOTNMFYKRYJY-CYBMUJFWSA-N 303.366 1.882 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 71871211 YVYVPOARJFRGCE-ZIAGYGMSSA-N 316.405 1.122 0 40 DDAB Cc1noc(C)c1C(=O)N1CCc2nnc(N(C)C)cc2C1 71860189 WWUDMDHMHICXIZ-UHFFFAOYSA-N 301.350 1.346 0 40 DDAB Cc1ccc2oc(=O)n(CN3CCN(CC4CC4)CC3)c2c1 71817273 UROCMSZDEUUNEO-UHFFFAOYSA-N 301.390 1.888 0 40 DDAB COC(=O)[C@H](N[C@H]1CCc2nc(C)nn2C1)c1ccccc1C 97148068 HGNYKOQFFVQSIW-XJKSGUPXSA-N 314.389 1.714 0 40 DDAB Cc1n[nH]cc1CNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 72302812 AITOXTKDYZKICF-LLVKDONJSA-N 311.349 1.249 0 40 DDAB COc1ccsc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 83984403 FDZKXFUBHHTOBA-RYUDHWBXSA-N 310.419 1.428 0 40 DDAB O=C(OCCO)C(NC(=O)c1ccccc1)=C(Cl)Cl 72427632 SYMQVUZVVWIWTP-UHFFFAOYSA-N 304.129 1.599 0 40 DDAB O=C(CNC(=O)c1ccco1)NCCc1c[nH]c2ccccc12 9882346 KBTNLGQHDJZTSH-UHFFFAOYSA-N 311.341 1.850 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)s1 95442365 MCSQMRDUTWSGSL-STQMWFEESA-N 324.427 1.697 0 40 DDAB C[C@H]1C[C@@H](Nc2nccn3cnnc23)C(=O)N1c1ccccc1 95404370 GXWHJDXTVSUXNJ-WCQYABFASA-N 308.345 1.730 0 40 DDAB Cc1nc(C(=O)NC[C@H](C)CO)nn1-c1ccccc1Cl 95431057 OQVDQVZUGBZYGP-VIFPVBQESA-N 308.769 1.587 0 40 DDAB COc1ccccc1-c1nc(CC(=O)N[C@H](C)C(=O)O)cs1 95471337 HASCIVJRYLFTOI-SECBINFHSA-N 320.370 1.951 0 40 DDAB CC(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2 79874452 QIIHFCFIRMMFJT-UHFFFAOYSA-N 303.410 1.882 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1Cl 88375694 VLALIJOVJRXOCA-JTQLQIEISA-N 304.129 1.919 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@@H]3CCOC3=O)CC2)cc1 86001126 UUIGIQFNWVQRTR-OAHLLOKOSA-N 302.374 1.322 0 40 DDAB O=C([C@H]1CC1(Cl)Cl)N1CCC(O[C@@H]2CCOC2)CC1 75093546 IOLRNKOERZPNNC-GHMZBOCLSA-N 308.205 1.977 0 40 DDAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)cc1)C1CC1 75109610 KBHOEUIYPZXPFV-ZDUSSCGKSA-N 313.375 1.315 0 40 DDAB COc1ccc(NC(=O)N2CCC[C@H](c3nncn3C)C2)cn1 89761907 YKSPUVAJFPWDSJ-NSHDSACASA-N 316.365 1.630 0 40 DDAB O=C(NC[C@@H]1CCOCO1)Nc1cccnc1N1CCCC1 89773246 QRKLJRFQWWUEQI-LBPRGKRZSA-N 306.366 1.566 0 40 DDAB COC(=O)[C@H]1CN(C(=O)NCc2c(C)cc(C)cc2C)CCO1 75582762 XYKMBLZAJZDGJH-OAHLLOKOSA-N 320.389 1.695 0 40 DDAB Cn1ncc2c(NC[C@H]3CCCN3c3cccnn3)ncnc21 75584669 FGWPDBAMSBAKNG-LLVKDONJSA-N 310.365 1.234 0 40 DDAB O=C(NC1CCN(CCc2ccns2)CC1)C1CCOCC1 1002220611 LUDPRWXJSXJFKC-UHFFFAOYSA-N 323.462 1.693 0 40 DDAB C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 32779597 LNVSJMFFJDPTSE-CABZTGNLSA-N 313.379 1.023 0 40 DDAB O=C(O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 409141817 WVPVTNNXTPOSRA-IZZDOVSWSA-N 321.310 1.579 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)c1c(F)cccc1F 71949444 PQYRZEGHXXDMDI-NEPJUHHUSA-N 310.300 1.815 0 40 DDAB Cn1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cn1 72339890 GAOGWIDDQRBKQO-UHFFFAOYSA-N 322.372 1.536 0 40 DDAB Nc1cc(Br)ccc1N1CCN(CCO)CC1 35609596 CUMBEHSPDDIRCK-UHFFFAOYSA-N 300.200 1.146 0 40 DDAB CCC(CC)S(=O)(=O)NCc1nnc(C2CCC2)n1C 125790778 LYYFYSNNJGIOOM-UHFFFAOYSA-N 300.428 1.691 0 40 DDAB COCCCCNC(=O)N1CCN([C@H](C)c2cccnc2)CC1 79355132 QDINKJYCGKQLIY-OAHLLOKOSA-N 320.437 1.896 0 40 DDAB CN(C)c1nc(C(=O)N[C@H](c2ccccc2)C2CC2)[nH]c(=N)n1 561116517 ZKRFZFJMQCCZII-GFCCVEGCSA-N 312.377 1.231 0 40 DDAB CN(CC(=O)O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 79390894 MMCLSFLDOFKZPL-AWEZNQCLSA-N 306.362 1.804 0 40 DDAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(NC(=O)CC)cc2)C1 45953795 VTQCDAPJOBKGEC-NSHDSACASA-N 304.346 1.951 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(=O)N(C)C 46957654 QIRURTPNCABRED-UONOGXRCSA-N 318.421 1.289 0 40 DDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H]3CCCC[C@H]32)O1 225583499 IBUBDJZJNYINGX-BARDWOONSA-N 323.437 1.596 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(C)C2)CC1 82314647 SZTWOZPUTNDQBK-HNNXBMFYSA-N 317.433 1.686 0 40 DDAB Cc1cc(C)cc(CS(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)c1 573852138 DKZIWWCZTVFMLZ-KGLIPLIRSA-N 309.387 1.752 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@@H]1CCCO1 42865322 KYXVKBFWZKXVKG-HNNXBMFYSA-N 300.362 1.851 0 40 DDAB Cc1ccc(N2CCC(C(=O)N3CC[C@H](CCN)C3)CC2)nc1 1579714920 PEBRJVORMLRLAR-HNNXBMFYSA-N 316.449 1.804 0 40 DDAB S=C(NCCN1CCOCC1)Nc1ccc2sncc2c1 225173642 AUNINCPBONHHFS-UHFFFAOYSA-N 322.459 1.915 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCC1)c1ccc(O)cc1F 195569713 SLKBHQQWVWRZHK-UHFFFAOYSA-N 322.380 1.906 0 40 DDAB CS[C@H](CO)[C@@H](C)NC(=O)Cc1ccc(-n2cccn2)cc1 96481354 CDKUEQMIXRZCCW-IUODEOHRSA-N 319.430 1.643 0 40 DDAB CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 96064816 CWMDKPFUGGEUDK-IUODEOHRSA-N 309.435 1.649 0 40 DDAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccc(C)cc1 96041953 NGFQABWGSGWJNB-YQQAZPJKSA-N 305.374 1.779 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(CC2=Cc3ccccc3OC2)C1 97235489 SEQPHKGZXCJBNK-OAHLLOKOSA-N 322.430 1.476 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@@H](C)Cc2cccc(F)c2)CCO1 96440395 ZNZWYIFJDLVLIQ-WFASDCNBSA-N 310.369 1.814 0 40 DDAB C[C@H](CS(C)(=O)=O)C(=O)Nc1nc2cc(F)ccc2n1C 97212758 HYOHCWDTKNMVLC-MRVPVSSYSA-N 313.354 1.332 0 40 DDAB CCN1CCN(C(=O)Cc2c(C(=O)O)c(C)cn2CC)CC1 96077913 NWDODVNQCAFDGB-UHFFFAOYSA-N 307.394 1.221 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCC1CCOCC1 96344560 LINLPRFIGAAZBW-UHFFFAOYSA-N 319.405 1.055 0 40 DDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(C)C)Oc2ccccc21 96111944 BSHMBUICKMMHPB-ZFWWWQNUSA-N 304.390 1.910 0 40 DDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107842 ROSLBSUGYPIOOK-DOMZBBRYSA-N 324.402 1.186 0 40 DDAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(C(=O)NC)CC2 96086804 WKDKXWFBZPAIIQ-UHFFFAOYSA-N 319.409 1.002 0 40 DDAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 96158649 CXBQNERETAOJGO-HNNXBMFYSA-N 317.433 1.885 0 40 DDAB Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)Cc2cccc(F)c2)cn1 96069948 FYVMBMZIOQSDTE-HOTGVXAUSA-N 317.364 1.306 0 40 DDAB COCCN1CCN(C(=O)[C@H]2CCCO2)Cc2cccnc21 96198873 YZLBUJNMCSRBAQ-CQSZACIVSA-N 305.378 1.056 0 40 DDAB O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)CN(C(=O)[C@@H]1CCOC1)C2 96083474 GCKHSNAVXSNTAV-HZSPNIEDSA-N 318.373 1.237 0 40 DDAB Fc1cnc(N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)nc1 247530109 OLZUFOVXDFANHH-GFCCVEGCSA-N 317.324 1.223 0 40 DDAB CCOC[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 242687308 UEMYJSQEOMJZMY-XHSDSOJGSA-N 311.447 1.884 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cnn(C)c2C)n1 257303721 SIKZCPXVFNHQBQ-AWEZNQCLSA-N 317.393 1.293 0 40 DDAB C[C@]1(O)CN(Cc2cc[nH]n2)CC[C@@H]1Oc1cccc(F)c1 257271435 MYIHDKVPHUDOQH-HOTGVXAUSA-N 305.353 1.953 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)N3CCCCCC3)ccc2NC1=O 252508862 XWCBTAYSDLXSIP-NSHDSACASA-N 324.402 1.971 0 40 DDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)O)CC[C@H]21 257335392 YJYIMDMDZJKKOA-BZUAXINKSA-N 302.374 1.407 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)CCc2cccs2)CCO1 257285124 PFTKSRYTNXRPCP-LBPRGKRZSA-N 318.402 1.653 0 40 DDAB Cc1nn(C)c(F)c1CNCc1ccnn1CC(F)(F)F 256055072 ZAHKAMBCXKMXRI-UHFFFAOYSA-N 305.279 1.916 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2nccs2)n1 257326388 WXAWBKNYQRNGHA-AWEZNQCLSA-N 317.418 1.906 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)CCCC3)C1 257262809 LMZZVKQJZGJRLZ-SFHVURJKSA-N 302.418 1.704 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cccnn2)n1 257245894 IRNXSXIEAQIWIX-AWEZNQCLSA-N 312.377 1.306 0 40 DDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1nccs1 257272416 NCIGIOGPYUZJCI-HNNXBMFYSA-N 317.418 1.513 0 40 DDAB CCC(CC)(CNS(=O)(=O)c1ccc(N)cc1)C(=O)O 263048589 KKQODXWWLFXYDN-UHFFFAOYSA-N 300.380 1.438 0 40 DDAB O=C(O)C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1 646035885 XFTYKVYOCBVGTE-ZDUSSCGKSA-N 315.366 1.985 0 40 DDAB CC(C)C(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575404225 MEVMAVRLMOIITK-CQSZACIVSA-N 324.421 1.041 0 40 DDAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)CNC(C)=O)C1 585274997 SWBWRGQAOWZYAG-QGZVFWFLSA-N 320.389 1.127 0 40 DDAB Cc1nccc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)n1 930837298 MFVKYEPBJAROFB-ZDUSSCGKSA-N 305.382 1.160 0 40 DDAB O=C(COc1ccc(Cl)cc1)N1CCOC[C@H]1c1ncon1 95981296 FSDKOWZBKOUMLK-LBPRGKRZSA-N 323.736 1.702 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(CC2(O)CCOCC2)C1 1615143358 FINNIUFBEGRHBU-SFHVURJKSA-N 321.417 1.352 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 1511486 AMWUOHBESPYFNE-UHFFFAOYSA-N 318.398 1.867 0 40 DDAB CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17395690 BKRGSBDUYBKHLP-UHFFFAOYSA-N 314.382 1.315 0 40 DDAB CC(C)CNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930436 ZWSHGCOFDRIVGA-UHFFFAOYSA-N 324.446 1.832 0 40 DDAB COc1ccc(Cl)cc1C(=O)NC1CN(c2cnccn2)C1 1888856554 TUCQFINHHAOYSU-UHFFFAOYSA-N 318.764 1.757 0 40 DDAB NS(=O)(=O)c1cc([C@@H]2NC(=O)c3ccccc32)ccc1Cl 39316655 NPCMXXHTULKTQS-ZDUSSCGKSA-N 322.773 1.820 0 40 DDAB in-vitro CC(C)C(=O)N1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 2037697432 XHPDQBWEMOAWLP-ZDUSSCGKSA-N 313.405 1.924 0 40 DDAB COc1cc(N2CCC(Oc3nc(C)cnc3C)CC2)ncn1 2086962026 NNUMUEVSUBOAIH-UHFFFAOYSA-N 315.377 1.940 0 40 DDAB CCN1C[C@H]2CN(C(=O)c3nc4ccccn4c3C)C[C@@H](C1)O2 1565549613 VZSVWDKGIYKXBW-OKILXGFUSA-N 314.389 1.188 0 40 DDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCC(C)C)cc21 5252483 WVPNLRCUGJXGHY-UHFFFAOYSA-N 317.389 1.696 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2C(=O)NC[C@H]2C(C)(C)C)cc1 585149759 MOOUWUUYSIHEAF-ZIAGYGMSSA-N 304.390 1.720 0 40 DDAB O=C(c1ccc(Br)o1)N1CC(Nc2cnccn2)C1 820294271 WGBJQXCYWDKYEH-UHFFFAOYSA-N 323.150 1.769 0 40 DDAB O=C(Nc1cccc(CN2CCCC2=O)c1)C1=COCCO1 30128546 XVHFCPFTMSQMKB-UHFFFAOYSA-N 302.330 1.636 0 40 DDAB CCOC(=O)C(=CNc1ccccc1C(N)=O)C(=O)OCC 100793895 AILWLKSONMTPEA-UHFFFAOYSA-N 306.318 1.208 0 40 DDAB COC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)O 32091825 QHMNMUXTNNTUBN-UHFFFAOYSA-N 301.258 1.214 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(Cl)c1 76020434 BWEXMTVNVGMRCU-GWCFXTLKSA-N 310.781 1.946 0 40 DDAB Cc1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1 2650860 UROOYKLBRNHTES-UHFFFAOYSA-N 324.428 1.828 0 40 DDAB O=C(CC1CCCC1)NCCNC(=O)c1c[nH]c2ncccc12 69458388 ZMCBPYJBCMJJDT-UHFFFAOYSA-N 314.389 1.989 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC[C@@H]1CCCO1 103027304 NCAQDYSLGUYGFO-BFHYXJOUSA-N 322.405 1.237 0 40 DDAB CCN1CCN(CC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 22037661 IWIRCWRIIWVQQS-UHFFFAOYSA-N 322.405 1.533 0 40 DDAB CCN1C(=O)C[C@@H](Nc2ccc(OC)c(OCCOC)c2)C1=O 103593209 FQKKBALFJSTCRS-GFCCVEGCSA-N 322.361 1.280 0 40 DDAB CCn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 23119863 LFBJBWGAHSDPHB-GFCCVEGCSA-N 300.358 1.930 0 40 DDAB CC(=O)N1CCCN(Cc2nc(-c3cccnc3)no2)CC1 54616923 DSVREFMUPMSENP-UHFFFAOYSA-N 301.350 1.186 0 40 DDAB C[C@H](O)CN1CCN(Cc2cnn(-c3ccccc3)n2)C[C@@H]1C 106840948 DBLUROHALCGQEJ-GJZGRUSLSA-N 315.421 1.154 0 40 DDAB CCCNC(=O)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 35344239 OCCCMHLOQPZURO-UHFFFAOYSA-N 322.384 1.184 0 40 DDAB COc1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cn1 48019370 SJDCFVKBCNJDTI-UHFFFAOYSA-N 321.425 1.238 0 40 DDAB NC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958501 CVHARKYIQWCMOP-NEPJUHHUSA-N 301.312 1.439 0 40 DDAB O=C(Nc1cc(C2CC2)n[nH]1)[C@H]1CCCN(c2ncccn2)C1 58158108 QYBMHRUYPJHJKA-LBPRGKRZSA-N 312.377 1.932 0 40 DDAB CN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)C1CCCCC1 102550327 VKCHXERZRDAZHZ-GVAFMPQTSA-N 318.417 1.809 0 40 DDAB CCCNC(=O)[C@H](C)N1CCC(C(=O)NCc2ccco2)CC1 58294500 KSLFTWGHOZVPLH-ZDUSSCGKSA-N 321.421 1.523 0 40 DDAB O=C(Cn1c(-c2ccccn2)noc1=O)NCc1cccs1 58223576 KFFKDIOCONPZSU-UHFFFAOYSA-N 316.342 1.276 0 40 DDAB CC1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 23053349 YGPMUQURWMKWGS-AWEZNQCLSA-N 304.390 1.675 0 40 DDAB Cc1ncc2c(n1)CCN(Cn1nc(-c3ccccc3)oc1=O)C2 44979274 TVQWUJJPBDACIZ-UHFFFAOYSA-N 323.356 1.618 0 40 DDAB COc1ncccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 44953524 FWSJDBDNQLXOTR-CYBMUJFWSA-N 322.409 1.569 0 40 DDAB COc1ccc(CS(=O)(=O)CC(=O)NCC2CC2)cc1F 36392185 RBPYQKDXCUEHKH-UHFFFAOYSA-N 315.366 1.275 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)NCc2cc[nH]n2)c1 48253798 YOEXYOYMRFHFPA-JTQLQIEISA-N 304.350 1.987 0 40 DDAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 3531355 QDJBQTIDNDEXSD-SNVBAGLBSA-N 303.380 1.221 0 40 DDAB O=C(CSc1nnnn1-c1ccccc1)NC[C@@H]1CCCO1 3504197 USHSBAWKYDNZIW-LBPRGKRZSA-N 319.390 1.050 0 40 DDAB CC(C)[C@H](C(=O)Nc1ccc(N(C)C)cn1)N1CCCC1=O 69571641 ZWCKXLZEFPGPQK-OAHLLOKOSA-N 304.394 1.733 0 40 DDAB Cc1cccc(C2(NC(=O)CCNS(C)(=O)=O)CCCC2)c1 69521367 IZARZVZKOQZIRR-UHFFFAOYSA-N 324.446 1.820 0 40 DDAB CC(=O)N1CCC(CN2CCC[C@H]2Cn2nc(C)nc2C)CC1 69558653 PMQYXCKFZRTUKY-KRWDZBQOSA-N 319.453 1.618 0 40 DDAB Cc1nn(C)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91757989 CTPULFODLVKORM-XHDPSFHLSA-N 321.327 1.955 0 40 DDAB CSc1ncc(C(=O)O[C@@H](C)C(N)=O)n1-c1ccc(F)cc1 39569001 ZXRCUYSKEMZVMX-QMMMGPOBSA-N 323.349 1.764 0 40 DDAB Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2)cc1 5554070 GIFNNEJGMDERAL-UHFFFAOYSA-N 318.398 1.590 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2)cc1 14844775 RVAOZJQQBLOMMG-UHFFFAOYSA-N 318.398 1.833 0 40 DDAB Cc1noc(CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)n1 66825300 WZTAEDFSFVGCSQ-CQSZACIVSA-N 316.361 1.587 0 40 DDAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3C(C)(C)CO)C2=O 19331122 OOMMRDSNJUMPMX-UHFFFAOYSA-N 308.466 1.830 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 9051981 NAWCTXDTMIDZMO-RYUDHWBXSA-N 314.407 1.517 0 40 DDAB CN([C@@H]1CCNC1)S(=O)(=O)c1cc(Cl)ccc1Cl 71310497 OSLFWGZBTOWHMH-SECBINFHSA-N 309.218 1.976 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(CC)CC2)c1C 19790470 MFSHHGJNVSWBCF-UHFFFAOYSA-N 321.421 1.628 0 40 DDAB C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(-n2ccnc2)cc1 9338254 MJZMIHCYBOXRSZ-LLVKDONJSA-N 309.329 1.447 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)n(C)c1 9390184 FJHXJNGRZVJWHG-UHFFFAOYSA-N 321.402 1.172 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)[C@H](C)c1c(C)noc1C)C2 71860171 QFRYVOHYVGZXBE-SECBINFHSA-N 315.377 1.812 0 40 DDAB Cc1ccc(CC(=O)N2CCc3nnc(N(C)C)cc3C2)cn1 71860218 JVCYBXQAWCTKOO-UHFFFAOYSA-N 311.389 1.373 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)Cn3cncn3)C2)sc1C 72297541 DJOIBVYFWFNBRM-LBPRGKRZSA-N 305.407 1.758 0 40 DDAB Cn1c(N)c(-c2csc(-c3ccsc3)n2)c(=O)n(C)c1=O 9723669 OPBINFBCRNNJKN-UHFFFAOYSA-N 320.399 1.518 0 40 DDAB Cc1nn(C)cc1NC(=O)C(=O)NC[C@H](C)c1cccs1 84044514 MGVUKMSPCNMQQB-VIFPVBQESA-N 306.391 1.648 0 40 DDAB COC(=O)C1CCN(C(=O)c2n[nH]c3ccc(C)cc23)CC1 97255010 MOUMLORFSWAOGP-UHFFFAOYSA-N 301.346 1.897 0 40 DDAB Cc1ncc(C(=O)NCCNC(=O)COc2ccccc2)s1 65402321 XKPCHVCVDJEKIQ-UHFFFAOYSA-N 319.386 1.377 0 40 DDAB COCCOCC(=O)N[C@H](CC(=O)O)c1ccccc1Cl 95393696 YBYGGJGLAZTPBC-GFCCVEGCSA-N 315.753 1.635 0 40 DDAB C[C@H](CNC(=O)C(C)(C)N(C)C)N1CCc2ccccc2C1 84638285 PSBDLWLHQSJFTA-CQSZACIVSA-N 303.450 1.890 0 40 DDAB COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@H]1CCC(=O)N1 72907499 XJPFBBHCYCKHCY-MJBXVCDLSA-N 322.405 1.235 0 40 DDAB C[C@H](NC(=O)CCn1cccn1)c1cn(-c2ccccc2)nn1 95416026 CPXRHSHDWIBXRZ-ZDUSSCGKSA-N 310.361 1.731 0 40 DDAB O=C(NCc1ccncc1)N1CCC([C@H](O)C(F)(F)F)CC1 95419116 MGWXYVAKRWDSNZ-LBPRGKRZSA-N 317.311 1.926 0 40 DDAB O=C(CN1C(=O)CNC1=O)N[C@H](c1cccs1)C1CCCC1 97922812 CBPXKTVPXDSMBC-AWEZNQCLSA-N 321.402 1.647 0 40 DDAB CC(C)N(C)CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 74064230 ZREXMQUJXLJIAW-UHFFFAOYSA-N 323.359 1.244 0 40 DDAB CCc1noc(CCCC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75118757 LLIWWYPEPIHBDT-UHFFFAOYSA-N 318.377 1.576 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cn[nH]c2C(F)(F)F)c(=O)[nH]1 75126034 QBOGHJPJUBEIFM-UHFFFAOYSA-N 314.267 1.664 0 40 DDAB O[C@H](CNc1cccc(C(F)(F)F)n1)CN1CCOCC1 89794139 GKNYDHAKSWHXIJ-SNVBAGLBSA-N 305.300 1.205 0 40 DDAB Cn1cc(C(=O)N2CCN(c3ccncc3Cl)CC2)cn1 89755210 MSDZHADTJYMNMN-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N[C@@H]1CCN(CC2CC2)C1 89917439 KUMLBHWFNYVVIN-BARDWOONSA-N 307.438 1.583 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2cnc(COC)[nH]c2=N)C12CCC2 547783725 MQSNZJZZZZOLIA-NEPJUHHUSA-N 320.393 1.113 0 40 DDAB Cc1cc(CS(=O)(=O)N[C@@H](C(=O)O)c2cccs2)on1 547871904 ZRKHCLITIRAKLE-SNVBAGLBSA-N 316.360 1.290 0 40 DDAB CC(C)[C@H]1N(C(=O)C2(S(C)(=O)=O)CC2)CC12CCOCC2 1550819444 ZMJPBABRSUMIJO-GFCCVEGCSA-N 315.435 1.227 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nncn3n2)c1 33277228 NLUHRXVBKNFQAR-UHFFFAOYSA-N 303.347 1.542 0 40 DDAB C[C@@H]1CCCN(c2nnnn2C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)C1 1551367856 BIFHIEYEASEUNA-NYTXWWLZSA-N 321.425 1.636 0 40 DDAB COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccn(C)c(=O)c1 189476917 JXDLZDWGLKMCHS-MRXNPFEDSA-N 314.385 1.715 0 40 DDAB Cc1cc(CC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)n(C)n1 517239419 UTRJQYHTQUTQLW-CQSZACIVSA-N 301.394 1.975 0 40 DDAB C[C@H](Sc1ccc(-c2ccc3c(c2)OCCO3)nn1)C(N)=O 35315415 PWFLKPZTIXMZTO-VIFPVBQESA-N 317.370 1.881 0 40 DDAB CC(C)(C)OC(=O)NCCN1Cc2ccccc2OCC1=O 409421806 ZXVQRGXFOFSVKJ-UHFFFAOYSA-N 306.362 1.932 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C 72559926 JIABGUSRUWAIQX-BLLLJJGKSA-N 323.441 1.770 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)C[C@@H]1COc2cc(OC)ccc21 534804888 BJLAFUKMZIXALX-RISCZKNCSA-N 318.373 1.298 0 40 DDAB Nc1c(C(=O)O)nnn1-c1ccc(NC(=O)c2ccccc2)cc1 33435966 KIWGDPFNJJQLAH-UHFFFAOYSA-N 323.312 1.800 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(CF)o1 32624770 KFMSXYDABJDTFR-NSHDSACASA-N 307.281 1.492 0 40 DDAB CCCc1nnc(SCC(=O)NC(C)(C)C)n1CCOC 35313808 WRNADGCIAZNJHV-UHFFFAOYSA-N 314.455 1.884 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1csc(Nc2ncccn2)n1 72384781 QKRSQHOTQOJNGE-LLVKDONJSA-N 319.390 1.987 0 40 DDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218523559 LDZDZSWXYYZRHV-BRWVUGGUSA-N 316.426 1.591 0 40 DDAB CCN1CN(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1=O 189911361 XHRLUKVNBFDZRV-CQSZACIVSA-N 308.426 1.082 0 40 DDAB C[C@H](N)C(=O)NCc1ccccc1I 79420886 OABGYUMBLNJSQX-ZETCQYMHSA-N 304.131 1.255 0 40 DDAB Cn1nc(C(=O)NCc2cc(-c3cccs3)on2)ccc1=O 36662411 JITSMHGTFPSORC-UHFFFAOYSA-N 316.342 1.427 0 40 DDAB CC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)c1ccccc1F 72378278 DGRPTDCLZQBSRV-INIZCTEOSA-N 308.353 1.206 0 40 DDAB CCNC(=O)NC(=O)CN1CCC[C@@H]1COc1ccccc1 79090811 KJRNDKOXIOFSOZ-CYBMUJFWSA-N 305.378 1.376 0 40 DDAB COCCNCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 60806102 FMLPIEYUSOXGJL-UHFFFAOYSA-N 322.405 1.432 0 40 DDAB Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1C 77939542 PYNSGKOJNDVRMC-ZFWWWQNUSA-N 304.390 1.909 0 40 DDAB COc1ccccc1CCNC(=O)c1cc2c([nH]c1=O)CCC2 49543699 VRTYPPFSOGZEFT-UHFFFAOYSA-N 312.369 1.845 0 40 DDAB biogenic CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2cnc(C)s2)C1 80041308 YYAGPFWEEJGJRU-ZDUSSCGKSA-N 324.450 1.010 0 40 DDAB COc1nc(C)nc(N2CCO[C@H](c3cnn(C)c3)C2)c1C 195567347 DOXYDXLXECTHQO-ZDUSSCGKSA-N 303.366 1.413 0 40 DDAB Cn1cnc2cc(S(=O)(=O)N3CCC[C@@]3(C)C(=O)O)ccc21 530339392 YEBCEJMDHBWBGC-AWEZNQCLSA-N 323.374 1.201 0 40 DDAB O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2cccnn2)C1 225411372 RDIIIXPPCIBELX-AWEZNQCLSA-N 317.320 1.674 0 40 DDAB CCS(=O)(=O)c1ccc(N2CCC[C@H](CC(N)=O)C2)cc1 225520353 IUCLLQBGXBPLEN-GFCCVEGCSA-N 310.419 1.572 0 40 DDAB OC1CCN(c2ncncc2I)CC1 83813875 BQTGDKJEGVSRMY-UHFFFAOYSA-N 305.119 1.042 0 40 DDAB Cn1ccnc1N1CCC(NC(=O)c2ccc3cc[nH]c3n2)CC1 328711359 BXHLZLLUWDJEOX-UHFFFAOYSA-N 324.388 1.695 0 40 DDAB Cn1ncc(C(=O)NCc2ccc(C(=O)O)cc2)c1-n1cccc1 225443537 CKQVRXUREFNWDY-UHFFFAOYSA-N 324.340 1.839 0 40 DDAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cnn(C)c1 225603182 UHBIUNGYZMLKAA-LLVKDONJSA-N 321.402 1.265 0 40 DDAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCN(C)CC1 227150269 JQZIQFIQJDEITB-CQSZACIVSA-N 314.389 1.414 0 40 DDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96057896 ADXZLIJYGMWYOG-ARFHVFGLSA-N 302.374 1.880 0 40 DDAB COc1ccc(CCNC(=O)[C@@H]2CCCN(C)C2)cc1OC 96629231 ZGGYLIWDCRAWSA-CQSZACIVSA-N 306.406 1.704 0 40 DDAB COC(=O)c1cc(Br)cnc1O[C@H]1CCN(C)C1 143216118 SHNLKVGYTAHNAV-VIFPVBQESA-N 315.167 1.714 0 40 DDAB Cn1cccc1CN1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 96182232 JGFYFXZZBTYXGB-IYBDPMFKSA-N 310.401 1.624 0 40 DDAB CN(CCN1CCCCC1)C1CCN(C[C@@H]2CCOC2)CC1 96443409 WPVYUYIUECXNRP-KRWDZBQOSA-N 309.498 1.905 0 40 DDAB COc1cc(N2CC[C@]3(CCC[C@H](CN(C)C)O3)C2)ncn1 96209191 XWINPPXAAIBWMM-CZUORRHYSA-N 306.410 1.565 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)NC[C@H]2CCCO2)CC1 98211889 RXKURWKVSRABKI-CQSZACIVSA-N 322.409 1.298 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96219237 FJFWYYUUXGVLKH-BLLLJJGKSA-N 322.384 1.984 0 40 DDAB CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H]1CCCN[C@H]1C 333244813 FMIZRMPATLBRAE-AJNGGQMLSA-N 320.437 1.627 0 40 DDAB CCCn1nnnc1CNc1ccccc1N1CCC(O)CC1 96453393 LCVWJUNCNGNHFE-UHFFFAOYSA-N 316.409 1.656 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)N1 96412573 LLPJYTPDONEJTD-GHMZBOCLSA-N 317.172 1.422 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2C(=O)N(c3cccnc3)CC[C@H]2C1 96082054 ZEYQRBHHELJUNB-GOEBONIOSA-N 322.368 1.602 0 40 DDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@H]2CCCC[C@@H]2O)C1 245289721 DRBTWDWTAPXRON-KKUMJFAQSA-N 318.483 1.330 0 40 DDAB Cc1cc(C)n(CCCC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)n1 257214364 CLSGYADKHKGFJB-IIAWOOMASA-N 309.410 1.013 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)cc2)[C@H]1O 257224957 FECWBFOQYQBRBS-BRWVUGGUSA-N 318.417 1.945 0 40 DDAB Cc1cc(C[C@H]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)ncn1 257232631 GLSKYGVLVIQOGX-UMVBOHGHSA-N 309.435 1.635 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H](O)[C@@H]2O)cc1 257253492 JZDVTHWOGHYHKJ-RBSFLKMASA-N 313.419 1.280 0 40 DDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257208838 BNTVJZRIEZCTKR-BFYDXBDKSA-N 317.364 1.836 0 40 DDAB Nc1cnc(C[C@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 257320191 VVRMCUVWVPKYEF-ZDUSSCGKSA-N 314.393 1.127 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1 257228333 FTKXITJQFQXGIW-OAHLLOKOSA-N 313.361 1.406 0 40 DDAB COc1ccccc1CCNC(=O)N[C@@H](C)c1nncn1C 43293595 HRELKYGPDVUSRX-NSHDSACASA-N 303.366 1.427 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257336621 YPGJRLIBAQDLJW-CQSZACIVSA-N 317.393 1.293 0 40 DDAB CCc1nccn1CCC(=O)N1CC[C@H]2NCCCC[C@@H]2C1 257321754 WDCIWGQRRIAQNP-HUUCEWRRSA-N 304.438 1.826 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1c1ccncc1 299658992 QXZSVVVHVMUMIW-TZMCWYRMSA-N 300.366 1.608 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2ccc(F)cc2)[C@@H]1O 585286156 JSJAMGJJGLHMOU-DPSMGAKISA-N 309.337 1.072 0 40 DDAB CCCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCC2CC2)C1 585095869 RCJCYEIZFVBUBV-CQSZACIVSA-N 304.394 1.483 0 40 DDAB O=C(NCC[C@@H]1CCCO1)c1ccccc1N1CCOCC1 69351733 RKOTUAXZUQZTLN-AWEZNQCLSA-N 304.390 1.822 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCC[C@@H]2c2cnn(C)c2)CC1 69668379 ITLMIAZDZAMXGN-IAGOWNOFSA-N 306.454 1.650 0 40 DDAB Cc1ccccc1-c1noc(CN2CCN(C[C@H](C)O)CC2)n1 69652162 DVHAFDKHKPXGAC-AWEZNQCLSA-N 316.405 1.543 0 40 DDAB NC(=O)[C@@H](CNC(=O)NCC(F)(F)F)Cc1ccc(F)cc1 69812761 UWACOWGPIROJAS-SECBINFHSA-N 321.274 1.331 0 40 DDAB CN(C)c1nc(N)nc(CN2CC[C@H](Nc3ccccc3)C2)n1 69843333 PKPJGGRCZGUJLI-ZDUSSCGKSA-N 313.409 1.206 0 40 DDAB COC(=O)[C@H](CC1OCCO1)NC(=O)C=C(C1CC1)C1CC1 1558047513 VNXXUXMQXOSVDE-ZDUSSCGKSA-N 309.362 1.154 0 40 DDAB CN(CCCNC(=O)NCc1ccncc1)CC(F)(F)F 75117648 YCLZWGBNCKVNBZ-UHFFFAOYSA-N 304.316 1.765 0 40 DDAB Cc1ccc([C@@H](CNCc2nccn2C)N2CCOCC2)s1 75603897 LFLOHXXMGVSWDT-CQSZACIVSA-N 320.462 1.953 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 78987062 BWYSOLFGMNUEES-LBPRGKRZSA-N 305.300 1.566 0 40 DDAB CN(CCNC(=O)NCCC(=O)N1CCCC1)C1CCCC1 83860928 VJLPTTSPOWHSJX-UHFFFAOYSA-N 310.442 1.173 0 40 DDAB O=C1[C@@H](N(CCO)Cc2ccsc2)CCN1C1CCOCC1 98016289 YEHNMRHGAVXXCC-HNNXBMFYSA-N 324.446 1.322 0 40 DDAB O=C([C@H]1CCCO1)N1CC(Cn2cc(Br)cn2)C1 1889108956 STFGMNFXJKUCPC-LLVKDONJSA-N 314.183 1.283 0 40 DDAB CC(C)C[C@@H](NC(=O)CNC(=O)NC1CCCCC1)C(=O)O 5633104 SDFRLWBEPRJZAO-GFCCVEGCSA-N 313.398 1.234 0 40 DDAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)COC 12084896 HFAVBUMYTHUMKZ-ZDUSSCGKSA-N 307.394 1.053 0 40 DDAB COc1ccc(OCCCC(=O)N2CCN(C=O)CC2)cc1 13596102 WLYXKDMUIAZXRS-UHFFFAOYSA-N 306.362 1.155 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@H](Oc2cnccn2)C1 225472734 YSTIPGZROXSJQW-LBPRGKRZSA-N 302.334 1.765 0 40 DDAB O=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1 2933397 YJMUDIPZGWAIED-UHFFFAOYSA-N 311.341 1.514 0 40 DDAB O=C([C@@H]1CN(Cc2cccc(Cl)c2)CCO1)N1CCOCC1 1889125058 RSVJRFVTURBNPF-HNNXBMFYSA-N 324.808 1.400 0 40 DDAB NS(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCO2)ccc1Cl 32666419 BOQSCKOXOULFMH-VIFPVBQESA-N 319.766 1.323 0 40 DDAB CN(C)CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037905557 FCYHPCBUBDXSPD-QGZVFWFLSA-N 324.396 1.510 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 12141025 ATNCNDQPUGYLAV-MCIONIFRSA-N 317.389 1.611 0 40 DDAB Cc1ccc(NC(=O)Cn2c(N)nc(C)c(C)c2=O)c(C)c1 49410962 JQAZHIVWUHMCAP-UHFFFAOYSA-N 300.362 1.698 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@@H](c2ccsc2)N(C)C)n1 40498960 UIIWGAHKHGYVFY-AWEZNQCLSA-N 306.435 1.981 0 40 DDAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 40539675 HJNFVRFZOVOISD-LLVKDONJSA-N 309.391 1.858 0 40 DDAB C[C@@H](C(=O)N(C)C1CCOCC1)c1n[nH]c(=O)c2ccccc12 20917929 MRKRGJUSIPOQTK-LLVKDONJSA-N 315.373 1.664 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)c(C)c1 202846 GEZRLQMCDUFHNR-HIFRSBDPSA-N 320.389 1.854 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1 347659 KKQMTVANOUSGIO-UHFFFAOYSA-N 320.370 1.273 0 40 DDAB Cc1nc2n(n1)C[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)CC2 69894964 NAIKSBPXWLGZHM-ZBFHGGJFSA-N 313.405 1.320 0 40 DDAB CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 32780621 ZTBXJSKJNZJWAJ-GFCCVEGCSA-N 304.371 1.494 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)C2=NN(C(C)C)C(=O)CC2)no1 76043772 ACRKYORMHMWSOA-GFCCVEGCSA-N 319.365 1.428 0 40 DDAB O=C(O)C[C@@H](NC(=O)c1ccco1)c1ccc2c(c1)OCO2 4717965 ARLFTORHZUDQPW-SNVBAGLBSA-N 303.270 1.954 0 40 DDAB CC(C)(C)c1nnc(SCCc2ccccc2)n(N)c1=O 4942541 JZAQSKWKCFUNBM-UHFFFAOYSA-N 304.419 1.984 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 6386558 ZJQBIUMLOWXJOQ-VWPFQQQWSA-N 305.374 1.664 0 40 DDAB Cc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 6826250 BJRLKXCYZQNSPM-UHFFFAOYSA-N 323.352 1.798 0 40 DDAB Cc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1 7750832 AAGCEBCPVWZJTE-UHFFFAOYSA-N 324.358 1.590 0 40 DDAB CCc1ccc([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1 10298489 XZCIRWPHXBFPAG-CYBMUJFWSA-N 309.333 1.734 0 40 DDAB Cc1nccn1C[C@H](C)CNC(=O)Nc1ccc(=O)n(C)c1 96999909 IFHPYNZVTGYFPC-LLVKDONJSA-N 303.366 1.348 0 40 DDAB Cc1cc(CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)no1 103145669 MMRKNEFGYMDZQM-BETUJISGSA-N 319.361 1.117 0 40 DDAB CC(=O)N1CCCN(CC(=O)NC2CCCCCCC2)CC1 53457336 VPTRBJLREFYSAL-UHFFFAOYSA-N 309.454 1.770 0 40 DDAB Cc1noc(C)c1CN(C)Cc1nnnn1Cc1ccccc1 42133062 AOSMDXUDBZNBEW-UHFFFAOYSA-N 312.377 1.958 0 40 DDAB O=C(CN1CCN(Cc2ccccc2Cl)CC1)NC1CC1 23250038 XEMPTGYVFIAZEK-UHFFFAOYSA-N 307.825 1.736 0 40 DDAB CCC(CC)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 41428901 PIKWMFCVPBUHFC-UHFFFAOYSA-N 317.433 1.888 0 40 DDAB CN1CCN(Cn2ncn(C)c2=S)[C@@H](c2ccccc2)C1 54519490 YPBUSYXQEMRTJV-CQSZACIVSA-N 303.435 1.897 0 40 DDAB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@@H]2[C@@]23C=C[C@@]12Cc1ccccc1C3 101046548 FDMVVDCSDBDOAX-RGCFKVTRSA-N 319.364 1.356 0 40 DDAB Cc1nn(CC(=O)NCc2ccncc2)c(C)c1Br 28575988 NQHMAHXSQDVCNE-UHFFFAOYSA-N 323.194 1.974 0 40 DDAB CC(=O)c1cccc(OCC(=O)N2CCC3(CC2)OCCO3)c1 24995631 HIQUPVLGMLLHKV-UHFFFAOYSA-N 319.357 1.634 0 40 DDAB C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 25441211 LGCWJKKAVNPFBZ-GFCCVEGCSA-N 315.373 1.753 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@@H]1N(C)C 107504201 HCUZPXUVYSYGMG-DFBGVHRSSA-N 306.454 1.939 0 40 DDAB CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 100643202 XWYTZJYDSLCDCZ-JTOWHCCKSA-N 319.401 1.910 0 40 DDAB CN(C)c1ccnc(C(=O)Nc2cccc(-n3cn[nH]c3=O)c2)c1 97096266 AQEXJQCPEVJJND-UHFFFAOYSA-N 324.344 1.274 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 108389244 KKMDUOAWZZDGCG-DTWKUNHWSA-N 324.324 1.898 0 40 DDAB CCOC(=O)C1=C(SC)N[C@H](C(=O)c2ccccc2)C1=N 100983683 IAAIHXPFVZTYJM-LBPRGKRZSA-N 304.371 1.999 0 40 DDAB CC(=O)N1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1 12601376 FQMOQRLOQVQUFH-HNNXBMFYSA-N 317.433 1.288 0 40 DDAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 102094777 RYBHMPAUQBHUNT-QDEZUTFSSA-N 317.341 1.515 0 40 DDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)c1nncn1C 44947087 CVCDVNCLYIQJEN-UHFFFAOYSA-N 309.347 1.000 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)Cn2ccccc2=O)no1 72299207 SFCRPDICDBZODJ-NSHDSACASA-N 302.334 1.157 0 40 DDAB CN(C)c1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cn1 58394059 XTVSRATXEZEHAN-AWEZNQCLSA-N 315.377 1.775 0 40 DDAB Nc1nccnc1C(=O)NCc1cccc(N2CCCC2=O)c1 36391509 BDGIDFXZNDGXRG-UHFFFAOYSA-N 311.345 1.116 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1ccc[nH]1 10950520 VKAXSVBOLXXGML-BONVTDFDSA-N 301.298 1.969 0 40 DDAB COCCN1C[C@H](C(=O)NCc2ccc(Cl)s2)CC1=O 45457279 FMBHDYUGEMKWAR-SECBINFHSA-N 316.810 1.513 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1NC(N)=Nc2nc3ccccc3n21 28923029 BSQPMOOYKOJXME-GFCCVEGCSA-N 315.768 1.828 0 40 DDAB COc1cccc(C(=O)NCc2nnc3ccccn23)c1OC 12978897 QUHOKUCXEJZEID-UHFFFAOYSA-N 312.329 1.677 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN(C)c1cnccn1 69518090 UVTRYOBEUOWXGH-CABCVRRESA-N 317.437 1.388 0 40 DDAB COCCCNC(=O)NCc1ccc(N2CCCC2=O)cc1 69533060 HNYXZCSSWCWGJR-UHFFFAOYSA-N 305.378 1.649 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCNc1ncccn1 69518307 PBSNQMAGULYVSI-GJZGRUSLSA-N 317.437 1.754 0 40 DDAB COC(=O)[C@@H](CCSC)NC(=O)N1C[C@H](C)O[C@H](C)C1 13575963 RIPFHZJOAGUVJT-OUAUKWLOSA-N 304.412 1.100 0 40 DDAB Cc1noc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)n1 64316019 CLTMKGOOWRKDLO-SECBINFHSA-N 303.318 1.917 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCN(c2cnccn2)CC1 8735198 OBVCHQDTAHHEGJ-UHFFFAOYSA-N 318.402 1.129 0 40 DDAB O=C(c1ccco1)N1CCN(C(=S)NCc2ccco2)CC1 6332469 GOVCXYAXJNSHEG-UHFFFAOYSA-N 319.386 1.705 0 40 DDAB COc1ncnc2c1CN(C[C@H](O)c1ccc(F)cc1F)CC2 65478791 OVIBPJUMSXRNRC-HNNXBMFYSA-N 321.327 1.855 0 40 DDAB Cc1ccc(OCC(=O)NCCc2n[nH]c(=S)n2C)cc1C 65491348 FDNLRCYBSOACHA-UHFFFAOYSA-N 320.418 1.832 0 40 DDAB Cc1nc2c(cc1C(=O)NC[C@@H](C1CC1)N(C)C)c(C)nn2C 65467081 OGTSRWDQJXNFBR-HNNXBMFYSA-N 315.421 1.655 0 40 DDAB CC(C)(C)OC(=O)C1CCC(NC[C@@H]2CN3CCN2CC3)CC1 92568112 SQXLHUPEILYROJ-UYSNPLJNSA-N 323.481 1.476 0 40 DDAB COc1ccc(F)cc1C(=O)CSc1nc(N)cc(N)n1 6533214 CGVCHGFBPHBNFZ-UHFFFAOYSA-N 308.338 1.764 0 40 DDAB COc1ccc(OCC(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1 5525721 DAFFPAAJTIGCSY-LBPRGKRZSA-N 318.251 1.543 0 40 DDAB COc1ccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 5586501 KLUZYEGTLUGPHC-MNOVXSKESA-N 315.441 1.699 0 40 DDAB Cc1nnc2n(C)c(=O)c3c4c(sc3n12)COC(C)(C)C4 4795619 QQXNJSCSMBDMRR-UHFFFAOYSA-N 304.375 1.802 0 40 DDAB COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Cn1cnnn1 66369718 KDNQGEVZZOJAGS-UHFFFAOYSA-N 323.378 1.457 0 40 DDAB C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cnn(C)c1 66934515 YXWIFUSMQUHOOR-DOMZBBRYSA-N 321.402 1.571 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)[C@H]1COc2ccccc2O1 19456351 CWZZMZORRVPXPH-IUODEOHRSA-N 307.346 1.090 0 40 DDAB O=C1CN(C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2N1 15911623 VOHCJLNQBXKIAG-UHFFFAOYSA-N 324.262 1.887 0 40 DDAB Cc1ccccc1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 81088257 AHOWZXMWVIQOJA-OAHLLOKOSA-N 302.374 1.505 0 40 DDAB CCOC(=O)N1CCC(NC(=O)COc2cccc(F)c2)CC1 7885452 BFITXLWQTKUMQF-UHFFFAOYSA-N 324.352 1.942 0 40 DDAB COc1ccc(OCCN2C(=O)N[C@]3(CCSC3)C2=O)cc1 22621244 WYBYJBHTJVRJGR-HNNXBMFYSA-N 322.386 1.502 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ncoc2C)c(C)c1F 96008614 YKWNCBGNMHPVCY-UHFFFAOYSA-N 314.338 1.918 0 40 DDAB CSc1nnc(NC(=O)CCC(=O)N2CCCC2)s1 27913551 BNZVGVCBSBEQLP-UHFFFAOYSA-N 300.409 1.601 0 40 DDAB CN(C)C1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 71837352 NUUIMMQYZRYCIF-UHFFFAOYSA-N 313.401 1.554 0 40 DDAB O=C1NCCN1C1CCN(CC[S@@](=O)c2ccccc2)CC1 71856518 PJNYRZQUIROIJF-QFIPXVFZSA-N 321.446 1.284 0 40 DDAB Cc1ccc(C[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)c1 71888924 MXVSFVDKAVZVAN-CQSZACIVSA-N 316.401 1.890 0 40 DDAB COc1cc(C(=O)NCc2nc(-c3cccs3)n[nH]2)on1 97141892 XNKWPODABHEKRB-UHFFFAOYSA-N 305.319 1.460 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCc2cccc(N)c2)cc1 97147700 HLHBQOYZXIJILC-UHFFFAOYSA-N 304.371 1.950 0 40 DDAB CCO[C@@H](C)C(=O)N(C[C@H]1CN(C)CCO1)c1nccs1 95402123 WGONJPLRKVBTLO-NWDGAFQWSA-N 313.423 1.232 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)O 88376658 VBQBAMQBOXNBCY-JTQLQIEISA-N 319.766 1.123 0 40 DDAB O=C(NC1CC=CC1)[C@H](O)[C@H](O)c1nc2ccccc2s1 95997826 ANCYEVQRKIZJSO-OLZOCXBDSA-N 304.371 1.525 0 40 DDAB COc1ccccc1OCC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 74862546 GPOHKMBTSKOKIS-GFCCVEGCSA-N 320.389 1.590 0 40 DDAB O=C(NCCNc1ncccn1)N[C@H]1CCN(C2CCCC2)C1 75134104 VKGQWHMNSFFDQO-ZDUSSCGKSA-N 318.425 1.205 0 40 DDAB O=C(Nc1cnn(-c2nccs2)c1)N1CCCC[C@H]1CO 89876910 GHKXGHODJNISJL-NSHDSACASA-N 307.379 1.708 0 40 DDAB C[C@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC(C)(C)C 27035579 JZHPHHZHCWLXSM-MNOVXSKESA-N 319.405 1.971 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc2c1ccn2C 89919991 CFWOQUMXWQBXSE-RYUDHWBXSA-N 320.414 1.826 0 40 DDAB CN(C)[C@@H](CNC(=O)c1cccc(C(N)=O)c1)c1ccccc1 23081532 VXXIEVNLEWOEME-INIZCTEOSA-N 311.385 1.818 0 40 DDAB CC[C@@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)O)C1=O 33518121 XIFVUTTTWAPFFS-LBPRGKRZSA-N 320.345 1.172 0 40 DDAB O=Cc1cc(S(=O)(=O)c2ccc(O)c(C=O)c2)ccc1O 1670405 NRBDZRMCFXNSFF-UHFFFAOYSA-N 306.295 1.556 0 40 DDAB biogenic NC[C@H]1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 521394601 AEXKRSNCYUNRAS-SNVBAGLBSA-N 309.801 1.151 0 40 DDAB COc1ccc([C@@H](NC(=O)CCCn2cnnn2)C(C)C)cc1 524733186 CTMYYQUWEYKRCG-INIZCTEOSA-N 317.393 1.975 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 4698573 MCRCTTSYWIYMIR-VWPFQQQWSA-N 317.316 1.281 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@@H](C1)C(=O)[C@@H]1CCCN12 216525818 ASTMRLPYJIVQKR-UPJWGTAASA-N 323.389 1.315 0 40 DDAB CNCCCNC(=O)C(=O)Nc1cccc2c(O)cccc12 36358028 ONTHSGVRPVISSH-UHFFFAOYSA-N 301.346 1.210 0 40 DDAB CN(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 73743051 MCHLFDSXCBFIFQ-UHFFFAOYSA-N 304.177 1.610 0 40 DDAB CC(C)(C)n1cnc(C(=O)NC2CC(N3CCCCC3)C2)n1 568459642 FDZRYNXRDKYIBP-UHFFFAOYSA-N 305.426 1.780 0 40 DDAB Cc1ccc2c(c1)[C@H](NCCN1CCCS1(=O)=O)[C@@H](C)C2 195553736 GBLQDOGNHTUWTR-XJKSGUPXSA-N 308.447 1.853 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@H](C1)C(=O)[C@H]1CCCN12 85398544 ASTMRLPYJIVQKR-YNEHKIRRSA-N 323.389 1.315 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](C)CC(=O)NC(C)C 96440670 RUGANVKROHWRQE-GHMZBOCLSA-N 324.425 1.825 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96066199 OLYKABWJGJVOKV-CWRNSKLLSA-N 304.390 1.928 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 96414733 JBAYQFIABVMBMR-ZIAGYGMSSA-N 304.390 1.736 0 40 DDAB COC(=O)[C@H](O)C1CCN(Cc2nccn2C(F)F)CC1 95432437 PJSOJVNTJYVVQU-LLVKDONJSA-N 303.309 1.024 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1cccnc1)C2 96215150 ZDRBQCLIQDVPJE-OAHLLOKOSA-N 323.418 1.112 0 40 DDAB CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)O1 96057367 STBAUHFFDXPEAY-OAGGEKHMSA-N 304.390 1.563 0 40 DDAB CN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1ccccc1)CC2 96217631 WWVIYAKBPYHXJX-MRXNPFEDSA-N 322.430 1.852 0 40 DDAB O=C1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)N1 96411251 QUKTUPFUFYSPGI-KOLCDFICSA-N 304.243 1.824 0 40 DDAB O=C(CN1CCO[C@@H](c2nccs2)C1)NC(C1CC1)C1CC1 97199832 PVMJARRPGBWUQH-CYBMUJFWSA-N 321.446 1.821 0 40 DDAB CCOCC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96157423 ORRPDMCWEFDZMZ-UHFFFAOYSA-N 317.433 1.933 0 40 DDAB CC(C)COc1cccc(CNC(=O)NCC[S@](C)=O)c1 96408786 SJRDWCQVGKHTQL-OAQYLSRUSA-N 312.435 1.899 0 40 DDAB O=C(NCCc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 96417058 YWLAVOUGHBNAEQ-LBPRGKRZSA-N 307.371 1.526 0 40 DDAB O=C(c1coc(-c2ccccc2)n1)N1CCS(=O)(=O)CC1 96414411 QVNRMMBMIDASLC-UHFFFAOYSA-N 306.343 1.212 0 40 DDAB N#CN(CCOCCO)c1ccc(F)c(Br)c1 96447840 ZXNAQHFKHXTMTJ-UHFFFAOYSA-N 303.131 1.885 0 40 DDAB CC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@@H]1C 247975383 ZTXSVDBCHZLXCX-NSHDSACASA-N 316.361 1.258 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257331899 XUTIIXKJRWANIF-ZDUSSCGKSA-N 313.361 1.211 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@@](O)(CN2CCCC2)C1 257257269 KOVGOUMMTHRUHY-QGZVFWFLSA-N 322.380 1.264 0 40 DDAB C[C@H](C1CC1)n1cc(NC(=O)NCCCc2nc[nH]n2)cn1 252487909 IECKLMUFNKWKNZ-SNVBAGLBSA-N 303.370 1.727 0 40 DDAB CNC(=O)[C@@]1(CCCc2ccccn2)CCCN1C(=O)COC 257254107 KBQJHTQEWFZEFQ-QGZVFWFLSA-N 319.405 1.158 0 40 DDAB CCc1noc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1 257243857 IIWMUJXSYQXEFY-NSHDSACASA-N 303.366 1.694 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 257232270 GKBVAPYEGYKQNR-JKSUJKDBSA-N 318.421 1.523 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@](C)(C(=O)NC)C1 257294721 QVJSQXYGIGBSKY-INIZCTEOSA-N 322.409 1.004 0 40 DDAB CC(C)O[C@@]1(C)C[C@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 528995828 LZYPPFRRFXKMQO-DOMZBBRYSA-N 316.365 1.740 0 40 DDAB c1cc2nncn2nc1N1CC2(C[C@@H](OCC3CC3)CCO2)C1 253596032 MHWHFBWXMOVQQQ-ZDUSSCGKSA-N 315.377 1.289 0 40 DDAB Cc1cc(CC[C@H]2CN(Cc3c[nH]nc3C)CCO2)ncn1 257282349 OTKHOESSKMIWHK-INIZCTEOSA-N 301.394 1.650 0 40 DDAB CNCC(=O)N1CCC[C@@]1(C)c1nc(C)cc(C(F)(F)F)n1 257343497 ZTGKEQFNWQYVSR-ZDUSSCGKSA-N 316.327 1.861 0 40 DDAB COC[C@H]1CCn2nccc2CN1Cc1ccc(CO)cc1 585098390 XJGQTSCKHRLAGL-QGZVFWFLSA-N 301.390 1.796 0 40 DDAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cnn1C 46385636 VKRKFJLKEACGBR-SECBINFHSA-N 314.345 1.550 0 40 DDAB O=C(NCC1(OCCO)CCSCC1)c1cccs1 828765445 PQBSUMUBIOHHIP-UHFFFAOYSA-N 301.433 1.753 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 58169254 CSCNCXSFAFCSKT-GFCCVEGCSA-N 308.403 1.838 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCc2nccn2C1 69391763 UXZRPDAXTUFRPJ-ZDUSSCGKSA-N 301.394 1.297 0 40 DDAB Cc1cc(N2C[C@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)ncn1 585416070 WXIYQDLKEMWTEY-TXEJJXNPSA-N 322.376 1.024 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 19947105 FAHKABVPZHHUKT-CYBMUJFWSA-N 312.435 1.984 0 40 DDAB COc1ccc([C@@H]2CC(=O)C[C@@H](Nc3nonc3N)C2)cc1 19974028 VRIGWJVJIDTWQC-QWRGUYRKSA-N 302.334 1.978 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 643275449 NGBZRGDPWIYHJQ-MRXNPFEDSA-N 320.437 1.412 0 40 DDAB Cc1nc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cn1C 390830136 IZHSJGMVUWPHPF-UHFFFAOYSA-N 321.406 1.007 0 40 DDAB Cc1nc2c(c(N3CCN(c4ncc(F)cn4)CC3)n1)CCC2 1888853467 GLBCBNPRDUGXQO-UHFFFAOYSA-N 314.368 1.529 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888857057 BVLQOSPYDBADPR-LLVKDONJSA-N 323.418 1.547 0 40 DDAB CS(=O)(=O)N1CCC(Nc2ncnc3sccc23)CC1 22239987 IIBJCQXGOCHMAZ-UHFFFAOYSA-N 312.420 1.527 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 41621237 MPHYNANFUAEYRR-CYBMUJFWSA-N 302.827 1.854 0 40 DDAB Cc1ccccc1CCNS(=O)(=O)c1ncn(C)c1Cl 27955045 STRZBFHOQBBILZ-UHFFFAOYSA-N 313.810 1.903 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)c1cocn1)CC2 2055745525 GUQCRUBIJOYICK-VIFPVBQESA-N 318.333 1.088 0 40 DDAB CCC(=O)N1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751320 KKJUONBWGKOLQH-QGZVFWFLSA-N 303.406 1.958 0 40 DDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C 24686182 DUDDQXHLNWPVTD-GFCCVEGCSA-N 314.382 1.423 0 40 DDAB CN1N=C(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCC1=O 31177825 CWNUZAQVAOOPSE-CQSZACIVSA-N 319.336 1.334 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2nnc3n2CCC3)cc1F 40527131 SOUQLLWXFNBEQX-UHFFFAOYSA-N 310.354 1.150 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@H]3CCOC3)ccc21 40514313 CRKXDFPSBQKSKV-GFCCVEGCSA-N 315.373 1.491 0 40 DDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC(C(N)=O)CC1 40540152 CMEDCUCBXCGFSX-UHFFFAOYSA-N 318.421 1.853 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 75606711 MVUWXAWGSHVUBQ-HOCLYGCPSA-N 315.417 1.246 0 40 DDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 2620226 ZIIVHPIAJQYXRH-VIFPVBQESA-N 303.767 1.825 0 40 DDAB COc1cc(NC(=O)[C@H](C)N2CCC(O)CC2)cc(OC)c1 32664884 WBJFWKGCVALHBQ-NSHDSACASA-N 308.378 1.488 0 40 DDAB O=C1NCCN1C1CCN(CCOc2ccccc2F)CC1 52215335 CWFVXYPSVOXYGT-UHFFFAOYSA-N 307.369 1.694 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)NC3CCCC3)nc2n1 3467340 AAPIGPIEMBOHHN-UHFFFAOYSA-N 305.407 1.892 0 40 DDAB CC(=O)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4231017 MXYZFJPRXJSCFE-UHFFFAOYSA-N 302.374 1.876 0 40 DDAB Cc1ccn2c(=O)cc(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)nc2c1 102531018 WMEDLPKGSOOVGU-OKILXGFUSA-N 323.352 1.454 0 40 DDAB Cc1ccccc1OCC(=O)Nc1nn2c(C)nnc2s1 6818218 OIHPFDQGUXBNHQ-UHFFFAOYSA-N 303.347 1.820 0 40 DDAB O=C(CCOc1cccc(Cl)c1)NCCN1CCOCC1 41751112 KAKGELWHQDVJNS-UHFFFAOYSA-N 312.797 1.557 0 40 DDAB CCCn1nnnc1NCc1cc(OC)c(OC)cc1OC 7263340 CKUVUIIBZPJAAB-UHFFFAOYSA-N 307.354 1.721 0 40 DDAB CC(=O)N1CCN(c2c(Cl)cccc2NC(N)=S)CC1 57327944 VHTSCXQSLAXKMV-UHFFFAOYSA-N 312.826 1.664 0 40 DDAB COc1ccc([C@@H]2NNC(=O)[C@H]2NC(=O)c2ccccc2)cc1 576570 OXFPKOUWULSQGH-GJZGRUSLSA-N 311.341 1.169 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc(Cl)cc1F 41670457 OXPWLYSHXLCAKU-UHFFFAOYSA-N 324.695 1.978 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C[C@@H](C)O1 47103017 DDMIXQUIOAHJOH-MGPQQGTHSA-N 319.409 1.264 0 40 DDAB Cn1c(=O)c2ccc(C(=O)OC3CCCCC3)nc2n(C)c1=O 58687839 YXXYDHKKGXGYTR-UHFFFAOYSA-N 317.345 1.122 0 40 DDAB O=C(CNC(=O)c1ccc(Br)o1)NCC1CC1 22831740 KZAOCPXCFNVFFV-UHFFFAOYSA-N 301.140 1.298 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccnn2C)c1 24650672 MYMRFZPPNJSAPS-XHDPSFHLSA-N 312.373 1.945 0 40 DDAB COC(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1 47936654 BUVLEEBRGHTOJY-UHFFFAOYSA-N 322.380 1.369 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NOCc1ccccc1 25036247 LXFZWHFGYQIOAW-UHFFFAOYSA-N 317.345 1.099 0 40 DDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cnccn1 22284983 HAAOTTAKAJTFSQ-UHFFFAOYSA-N 318.358 1.269 0 40 DDAB CC[C@H]1CN(CCC(=O)N2CCCCC2)CCN1C[C@H](C)O 106906836 DLKCXXKKPXZEDD-HOTGVXAUSA-N 311.470 1.166 0 40 DDAB Cc1ccsc1CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 107143602 DAPLKEFMWKITEB-VXGBXAGGSA-N 318.464 1.842 0 40 DDAB C[C@H]1CN(C(=O)[C@H](C)Sc2nnc3ccccn23)C[C@@H](C)O1 12617640 HNJATLWNJNZUAK-TUAOUCFPSA-N 320.418 1.846 0 40 DDAB CN1CC[C@@H](C(=O)Nc2ccnn2Cc2ccccc2)CC1=O 44343074 QOZWRPFVFKBIJC-CQSZACIVSA-N 312.373 1.738 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCO1 44866571 RGUWTVNVRKETLG-SNVBAGLBSA-N 307.375 1.095 0 40 DDAB O=C(NCCc1ccc(O)cc1)N1CCN(CC2CC2)CC1 58217799 ATLYXSLKXLGDHL-UHFFFAOYSA-N 303.406 1.672 0 40 DDAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nncn2C)C1 48262570 ZIISLOJKXDLSNR-CQSZACIVSA-N 314.389 1.772 0 40 DDAB Cc1occc1C(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 44911413 FVFMFFKLUQVDEF-DZGCQCFKSA-N 308.378 1.055 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(OCC(N)=O)c2)on1 28357544 KFXIVNJIBLXYHV-SNVBAGLBSA-N 318.333 1.286 0 40 DDAB O=c1n(Cc2ccc(-n3cccn3)cc2)nnn1-c1cccs1 10885679 CIZUMCIFOVSKOR-UHFFFAOYSA-N 324.369 1.725 0 40 DDAB CCN(c1ccccc1)c1nc2nonc2nc1NCCO 2352195 GWOUHSZBPLUEPW-UHFFFAOYSA-N 300.322 1.575 0 40 DDAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc[nH]c1=O 28695491 FWKYXXSOPFBHPL-UHFFFAOYSA-N 308.341 1.550 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H]1COCCO1 58987797 CEQFWCQHJWHYFY-GOEBONIOSA-N 305.374 1.644 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 28843180 QXRHDMDQCHJKIW-KOLCDFICSA-N 315.295 1.670 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1 3444251 ZHMFTZYDJTWNST-UHFFFAOYSA-N 310.419 1.905 0 40 DDAB Cc1ccc(CN(C)C(=O)CN[C@@H](C)[C@H](C)n2cccn2)o1 70040840 UNGZLVATBBVKTB-KBPBESRZSA-N 304.394 1.982 0 40 DDAB CCc1cccc(C)c1NC(=O)CCn1[nH]c(=O)ccc1=O 12983718 UXCRFMLXHGTMQB-UHFFFAOYSA-N 301.346 1.436 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@@H](C)Cc1cccc(Cl)c1 48914555 QFDSLTGCKZGJDP-JTQLQIEISA-N 303.811 1.822 0 40 DDAB Cc1cc(F)ccc1NC(=O)N1CCN(S(C)(=O)=O)CC1 69415001 OIQJOPAZRJKRJU-UHFFFAOYSA-N 315.370 1.243 0 40 DDAB CC(C)(C(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1F 69461997 SKTDWKRSAGKTAZ-UHFFFAOYSA-N 304.325 1.424 0 40 DDAB CCN1CCN(C2CCN(Cc3nc(C4CC4)no3)CC2)C1=O 69493546 XMDXSEJBDSMMKG-UHFFFAOYSA-N 319.409 1.669 0 40 DDAB CN(CC1CCN(CCO)CC1)c1cnc2ccccc2n1 69873354 FNYDUZGDFJUWNK-UHFFFAOYSA-N 300.406 1.770 0 40 DDAB C[C@@H]1COCCN1C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809683 CJDTVXNAIYUDBM-MRVPVSSYSA-N 305.359 1.859 0 40 DDAB CCn1cc(CNC(=O)Cc2cc(C(C)=O)ccc2OC)cn1 69814616 ILRHEOIQLBYYLU-UHFFFAOYSA-N 315.373 1.973 0 40 DDAB Cc1ccc(-c2nnc(CN3CCN(C[C@@H](C)O)CC3)o2)cc1 65539370 YWSYXPVAAYVQBD-CQSZACIVSA-N 316.405 1.543 0 40 DDAB NC(=O)[C@H]1CCN(CC(=O)N(Cc2ccsc2)C2CC2)C1 65553188 VDWWVRPWUORSPX-LBPRGKRZSA-N 307.419 1.046 0 40 DDAB CCOc1ccccc1-n1nnn(CN2CCOCC2)c1=S 14229572 XLBLADJKWIYBQI-UHFFFAOYSA-N 321.406 1.487 0 40 DDAB O=C1NC(=O)C(CCc2ccncc2)(C2CCCCC2)C(=O)N1 18119348 RLJYCZREXIWYAI-UHFFFAOYSA-N 315.373 1.947 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1OC 6608836 MWDTYFRCFYBNPV-GFCCVEGCSA-N 323.345 1.156 0 40 DDAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cnccn2)c1 6625851 RKKRNYOODMOVOP-UHFFFAOYSA-N 321.358 1.084 0 40 DDAB CN(C1CCN(c2ccccn2)CC1)S(=O)(=O)N1CCCC1 69705508 CVLAZGNULKBOTL-UHFFFAOYSA-N 324.450 1.323 0 40 DDAB CCCCN(C(=O)C1CC1)c1c(N)n(CCC)c(=O)[nH]c1=O 14823461 PKROSJCUCDDZQG-UHFFFAOYSA-N 308.382 1.072 0 40 DDAB C[C@@H](Sc1ncn[nH]1)C(=O)NCc1ccc2c(c1)OCO2 5737009 SNLXTFZESANVNP-MRVPVSSYSA-N 306.347 1.330 0 40 DDAB NC(=O)[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(F)cc1 66940398 CGBVIFIZABMISD-HNNXBMFYSA-N 319.311 1.720 0 40 DDAB Cc1nnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nn12 67172520 IXZAPNQENWGVLO-UHFFFAOYSA-N 318.381 1.490 0 40 DDAB CN1[C@@H](Cc2ccncc2)[C@H](O)c2ccccc2S1(=O)=O 8993444 BWWNEDNLPBXBGS-DZGCQCFKSA-N 304.371 1.360 0 40 DDAB Cc1cc(N[C@@H](C)C(=O)NC(N)=O)ccc1Br 8780169 UCTCVEWZOHNJOA-ZETCQYMHSA-N 300.156 1.753 0 40 DDAB COc1ccc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O)cc1 8700650 MTWXPRLVCZWIQM-VXGBXAGGSA-N 311.334 1.707 0 40 DDAB O=C1COc2ccc(S(=O)(=O)NCc3ccco3)cc2N1 15677150 YSZORCAVIRIIMI-UHFFFAOYSA-N 308.315 1.089 0 40 DDAB COC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1N 8715292 ZJXNFHQHGRCHRV-UHFFFAOYSA-N 310.317 1.775 0 40 DDAB COc1cc2nc(N3CCC[C@@H](O)C3)nc(N)c2cc1OC 68427747 KPAJJUIJMOPZIW-SECBINFHSA-N 304.350 1.190 0 40 DDAB Cc1ccc(-n2nc(C)cc2NS(=O)(=O)CCC2CC2)nn1 97048837 MKHPAEHTYVKLRI-UHFFFAOYSA-N 321.406 1.821 0 40 DDAB O=S(=O)(N[C@@H]1CCCNC1)c1ccccc1Br 71397280 LCXNNLTVONARGN-SECBINFHSA-N 319.224 1.479 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1 71870889 KXLTZFKJVICKIB-CYBMUJFWSA-N 317.393 1.272 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)NCCN2CCCC2)C1 9763528 AGERSBWUJNHMPS-GASCZTMLSA-N 309.454 1.483 0 40 DDAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)NC(=O)NC(C)(C)C 9861537 SQAMLGQXNIEGOY-VIFPVBQESA-N 308.334 1.562 0 40 DDAB O=C(c1ccc2c(c1)COC2)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788886 HVXMSZQDXCYBNN-IAGOWNOFSA-N 316.401 1.388 0 40 DDAB CN(CCC(=O)O)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 95425285 VNJZKFQFOKEYPH-UHFFFAOYSA-N 319.766 1.047 0 40 DDAB CC(C)C[C@H](NC(=O)c1ccc[nH]1)C(=O)N1CCC(CO)CC1 95976433 DURQDBHZURNXSU-HNNXBMFYSA-N 321.421 1.390 0 40 DDAB CNC(=O)c1cccnc1NC[C@@H]1CCN(CC(F)(F)F)C1 89392129 JKILOANLHOLAKL-JTQLQIEISA-N 316.327 1.737 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(CS(C)(=O)=O)cc1 69665042 CAGBITIESDYZRM-KBPBESRZSA-N 312.387 1.956 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCCCC(N)=O)cc1 89357172 PZFZEPQIXYERTP-SMDDNHRTSA-N 317.389 1.667 0 40 DDAB CN1CC[C@@H](N(C)C(=O)c2cccc(N3CCCC3=O)c2)C1=O 75143125 STDGPPGRJQBYGX-CQSZACIVSA-N 315.373 1.116 0 40 DDAB Cc1nccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75121178 SJDHCLOFDOSWOS-UHFFFAOYSA-N 301.350 1.090 0 40 DDAB Cc1ccnc([C@H](NC(=O)COC[C@@H]2CCCO2)C2CC2)n1 89701887 BYPQJRZTSZJRDY-DZGCQCFKSA-N 305.378 1.548 0 40 DDAB O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccon1 89794218 LBIRPUZCTFGURA-UHFFFAOYSA-N 301.224 1.897 0 40 DDAB CCOC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 409119050 QYGNGACGOJUDNE-UHFFFAOYSA-N 301.364 1.315 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cn(C)nc1C)CC2 89986499 VOITXMSJSROMLR-UONOGXRCSA-N 307.394 1.121 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4Cl)C(=O)[C@@H]13)O2 4099754 ILPCHWSTHYTTHA-OHTBPHCPSA-N 305.717 1.711 0 40 DDAB OC[C@@H]1CCC2(CCOCC2)CN1Cc1ccc2nonc2c1 528637867 GDYOPJVFDQONQZ-AWEZNQCLSA-N 317.389 1.976 0 40 DDAB COc1nccc(CN2CC3(CCOCC3)CC[C@H]2CO)n1 528645461 NKYCXIQJGTWXII-AWEZNQCLSA-N 307.394 1.239 0 40 DDAB NCC(=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 72363188 UYVCEIHLZCFCCU-UHFFFAOYSA-N 312.373 1.934 0 40 DDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2cccc(F)c2)n1 77842584 GTKVULJDPBKSJY-UHFFFAOYSA-N 320.324 1.630 0 40 DDAB CCOC(=O)CCC(=O)N1CCN(Cc2c(C)noc2C)CC1 38679338 MRHNFAKPEMAFLT-UHFFFAOYSA-N 323.393 1.279 0 40 DDAB CN1CCCC12CCN(C(=O)c1cnn3c1OCCC3)CC2 556704875 UVKBUHNRGCBCLF-UHFFFAOYSA-N 304.394 1.366 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCC(=O)N1Cc1cccs1 72239740 KYHUVUOQAABOAG-WCQYABFASA-N 308.403 1.534 0 40 DDAB OCCN1CCO[C@@H](COc2ccc(Br)cc2)C1 217498889 UYWMVKCYUGEJOZ-CYBMUJFWSA-N 316.195 1.521 0 40 DDAB COCCCN1C[C@@]2(CCCCN2C(=O)c2cc[nH]n2)CC1=O 63527163 QUGSEQWWOXESGK-MRXNPFEDSA-N 320.393 1.043 0 40 DDAB Cc1ccccc1CN1CCCN(S(=O)(=O)C2CC2)CC1 371794631 BKBXYLICEGGHNA-UHFFFAOYSA-N 308.447 1.995 0 40 DDAB O=C(NC[C@@H]1CCCN(C(=O)c2ccccn2)C1)c1ccco1 72389559 AWQQSNAHVCQACG-ZDUSSCGKSA-N 313.357 1.957 0 40 DDAB CCOC(=O)N[C@H]1N=C(c2ccccn2)c2ccccc2NC1=O 34494274 AEYRWEZKUDJLQJ-OAHLLOKOSA-N 324.340 1.943 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccccc23)C1 77140288 QBJSSMJDYCXIHK-WDEREUQCSA-N 321.402 1.649 0 40 DDAB CSC[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 80773402 DDZLYJRSEJYPMG-JTQLQIEISA-N 303.453 1.907 0 40 DDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N1CCCCCC1 225878496 GUQUTYGGKZYGFM-UHFFFAOYSA-N 317.436 1.839 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 40287569 MWCLMMQVKACSCQ-AGIUHOORSA-N 302.378 1.304 0 40 DDAB CCN1CCN(c2ncc3c(n2)CN(C2CCCC2)C3=O)CC1 46088858 IACPPIFCANBIGH-UHFFFAOYSA-N 315.421 1.517 0 40 DDAB COc1cc(CC(=O)N2CCOC3(CCNCC3)C2)ccc1C 1579146997 YQTJVSUDFDOJFV-UHFFFAOYSA-N 318.417 1.527 0 40 DDAB CC(C)C(=O)Nc1cc(C(=O)N[C@@H](C)c2ccncc2)nn1C 46088993 KDPDXILIEMUZFZ-NSHDSACASA-N 315.377 1.901 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)Nc2cn[nH]c2)[C@@H]1c1cnn(C)c1 331604538 LTYOHFCMQCZQHN-OCCSQVGLSA-N 316.365 1.082 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(Cc3ccoc3)C[C@@H]2C1 96053927 VFUHWXOBTZSLBS-CHWSQXEVSA-N 303.387 1.940 0 40 DDAB O=c1[nH]c(NC2CCOCC2)nc2c1Cc1ccccc1OC2 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40 DDAB CCc1nccn1CCC(=O)N1CCOC[C@@H]1c1[nH]ncc1C 257202334 ALIGFVWJHCLCCG-CYBMUJFWSA-N 317.393 1.467 0 40 DDAB C[C@H](CC(=O)Nc1ncn(CC(=O)O)n1)c1ccc(F)cc1 647782635 VUMFKFHTZHXCNH-SECBINFHSA-N 306.297 1.634 0 40 DDAB O=S(=O)(CCc1ccc2c(c1)OC(F)(F)O2)c1ncc[nH]1 585091621 SXJKZNOKOARWEX-UHFFFAOYSA-N 316.285 1.748 0 40 DDAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1c(C)noc1C)C2 585107234 FNMYASAQFAPOGE-WBMJQRKESA-N 305.378 1.670 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CC(n2cc(C3CC3)nn2)C1 585149176 OGRVTZQAQXTGKT-UHFFFAOYSA-N 320.356 1.796 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(CN2CCCC2)CC1 69373148 RAVGERHPUFNAQC-CYBMUJFWSA-N 310.442 1.028 0 40 DDAB C[C@H](CCO)CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 95961830 GIIIRYQBXQWSJM-MFKMUULPSA-N 301.383 1.652 0 40 DDAB Cc1ccc(N2CCn3c2nnc(C(=O)NC(C)C)c3=O)cc1 12233650 JKZLKUCNLAECJG-UHFFFAOYSA-N 313.361 1.237 0 40 DDAB Cc1c(C(=O)N2CCN(C)CC2)cnc2nc(CC(C)C)nn12 14608470 YPWGWCHAMQSPJD-UHFFFAOYSA-N 316.409 1.019 0 40 DDAB COc1ccc(CCC(=O)Nc2nnc3n2CCS3)cc1 16953694 QYLMYJGDKZGUBQ-UHFFFAOYSA-N 304.375 1.964 0 40 DDAB O=C(NCCC1CCCC1)[C@H]1CN(c2ncccn2)CCO1 19747263 NBTJAUJVFSGNKN-CQSZACIVSA-N 304.394 1.378 0 40 DDAB CCn1c(S)nnc1-c1cn(C[C@H](O)c2cccs2)nn1 1889046856 VEIOQNKVNIZYAV-VIFPVBQESA-N 322.419 1.640 0 40 DDAB CCN(C(=O)CN1CCNC(=O)C1)c1nc2ccccc2s1 15479755 LZDKNXHDHZZKEA-UHFFFAOYSA-N 318.402 1.081 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN(c3cnccn3)CC2)s1 25835495 SJKFBBIHLCGXHD-UHFFFAOYSA-N 303.391 1.512 0 40 DDAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)C1CCCCCC1 29166496 JAAUKBDWVJVVPU-HNNXBMFYSA-N 316.467 1.334 0 40 DDAB Cc1noc(CC(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)n1 1614940879 YAWSCFJPMSBFPH-CYBMUJFWSA-N 322.409 1.022 0 40 DDAB Cc1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 270202434 GPDATQVLKWSRGG-UHFFFAOYSA-N 318.402 1.296 0 40 DDAB NC(=O)Cn1c(CO)cnc1SCc1ccccc1Cl 9827674 AOYZAHZBXIGDMZ-UHFFFAOYSA-N 311.794 1.806 0 40 DDAB NC(=O)Cn1c(CO)cnc1SCc1cccc(Cl)c1 9827676 RXTRIJPNXOKRTO-UHFFFAOYSA-N 311.794 1.806 0 40 DDAB CN(C)CCN1CC[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1=O 2055751413 UZTCOCKJMOJMOI-KRWDZBQOSA-N 318.421 1.031 0 40 DDAB COc1ccc2cc(C(=O)NC[C@@H](O)c3cccn3C)[nH]c2c1 206697476 ICRORNFTYZCOBM-MRXNPFEDSA-N 313.357 1.978 0 40 DDAB Cc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)no1 35686177 XKHPABUMINGZKX-UHFFFAOYSA-N 308.319 1.262 0 40 DDAB COc1ccc(OC)c(CCC(=O)N2CCC(C(N)=O)CC2)c1 30869253 XFFSHDXHMPAEPG-UHFFFAOYSA-N 320.389 1.360 0 40 DDAB O=C1CN(C(=O)c2cccnc2Nc2ccccc2F)CCN1 40476577 HDZPQERPLSAFAT-UHFFFAOYSA-N 314.320 1.536 0 40 DDAB CCc1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 40489754 RJEWUJJLUZVNKE-CYBMUJFWSA-N 309.435 1.529 0 40 DDAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccccc1 40460248 XFOYTHKHPPIVMI-UHFFFAOYSA-N 319.382 1.979 0 40 DDAB C[C@@H](Cc1ccco1)NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40511383 OFEWPMDXEVCWFY-SDDRHHMPSA-N 302.396 1.154 0 40 DDAB COCCN(Cc1ccccn1)C(=O)/C=C/c1cnn(C)c1 40556305 BWXQEGMONFRYBG-VOTSOKGWSA-N 300.362 1.504 0 40 DDAB C[C@@H](CCc1ccccc1)Nc1c(NCCN(C)C)c(=O)c1=O 101694082 RONCIJBENXBUKH-ZDUSSCGKSA-N 315.417 1.689 0 40 DDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CC(C)C)C(=O)[C@H]13)O2 2145808 YGMDYSFJPOGJDL-XJIUQZFPSA-N 307.390 1.768 0 40 DDAB biogenic CCN1CCCC[C@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 69871327 JDGHXKLGIFKSPX-ZDUSSCGKSA-N 305.426 1.618 0 40 DDAB CCc1ccccc1N(CC(=O)NC(C)(C)C)S(C)(=O)=O 4977204 JWMDGHXZLOMODM-UHFFFAOYSA-N 312.435 1.930 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NCc3ccco3)c2N)cc1F 4984808 FOGASSPEZUDTBQ-UHFFFAOYSA-N 315.308 1.820 0 40 DDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc2c(c1)CCCC2 7702796 ITWSGEJRFNIFJL-UHFFFAOYSA-N 322.430 1.465 0 40 DDAB CN1CCC(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)CC1 2777028 GHBDMAHYWNRVJE-UHFFFAOYSA-N 324.734 1.916 0 40 DDAB Cc1c(Br)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1C 2771076 BLFMTPCYGVTRGM-HTQZYQBOSA-N 316.199 1.740 0 40 DDAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(F)(F)F)cc1 32912796 MDIZICDAKQDVDJ-GZMMTYOYSA-N 319.304 1.855 0 40 DDAB O=C(O)C[C@H](c1ccco1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 103000463 YIBHBFPEZQVAFY-IJPSMNBWSA-N 303.314 1.827 0 40 DDAB O=C(Cn1cccn1)Nc1cccc(-c2nnnn2C2CC2)c1 22181375 JFLIUKDJVKNCOD-UHFFFAOYSA-N 309.333 1.510 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCCNc1ncccn1)C2 72279001 NSXRSTAUBOAWQC-ZDUSSCGKSA-N 314.393 1.305 0 40 DDAB C[C@H](OC[C@H](O)CN1CCNC(=O)C1)c1ccc(Cl)cc1 23389874 DCWMWVHRBRUTHZ-SMDDNHRTSA-N 312.797 1.210 0 40 DDAB CCOc1ccccc1N1C(=O)C[C@@H](N2CCOCC2)C1=O 101274610 NGGDXEHXYAUCTK-CYBMUJFWSA-N 304.346 1.049 0 40 DDAB Cn1cnnc1-c1ccccc1NC(=O)C[C@@H]1CSCCN1 97009883 UYKMRAMMQXVGFQ-LLVKDONJSA-N 317.418 1.516 0 40 DDAB C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)[C@H]2CCCC[C@H]12 97083241 PZCIDCMJTIALKV-RQJABVFESA-N 314.451 1.784 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1ccc(Br)o1 43503509 LYDSADAFGZJUOE-SNVBAGLBSA-N 320.164 1.732 0 40 DDAB O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccs1 57930061 BTUXYDWWVVSWPJ-MRVPVSSYSA-N 314.354 1.663 0 40 DDAB C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)N(C)C 57994762 AUSSCWMOPZSNNE-NSHDSACASA-N 310.361 1.704 0 40 DDAB O=C(CN1CCCC1=O)Nc1cccc(OC[C@H]2CCCO2)c1 44846511 RODLBDUGKFYGBM-OAHLLOKOSA-N 318.373 1.805 0 40 DDAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)CO)cc1 27693689 VCANRRDJDJQTJT-CQSZACIVSA-N 312.369 1.989 0 40 DDAB O=C(Cn1cc(NC(=O)c2ccccn2)cn1)NC1CCCC1 58210458 CXJUXRWUNCTUGH-UHFFFAOYSA-N 313.361 1.589 0 40 DDAB CN(C)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58380189 QZORRVALZRDTGC-ZIAGYGMSSA-N 313.357 1.349 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1ccc[nH]1 10950506 VKAXSVBOLXXGML-ZUZCIYMTSA-N 301.298 1.969 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@@H](C)Cn1ccnc1 48232291 JRXIAWURHCFUCZ-LBPRGKRZSA-N 303.366 1.565 0 40 DDAB CN(C)c1ncccc1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 76021228 NHYZGARQEDENNX-MJBXVCDLSA-N 318.421 1.760 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1ccc(NS(C)(=O)=O)cc1 11362742 CDQWDEZZGZWPHF-UHFFFAOYSA-N 323.374 1.844 0 40 DDAB C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc2c(c1)OCCCO2 48220569 QJNJOPUEIOYITH-AAEUAGOBSA-N 318.373 1.551 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3ccsc3)CCO2)n1 76045314 LUXPSWYKWYNMPX-GFCCVEGCSA-N 306.391 1.707 0 40 DDAB O=C(NCCC(=O)N1CCCC1)c1cnn(-c2ccccc2)c1 12879596 HXVVXLVAMATEKI-UHFFFAOYSA-N 312.373 1.615 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459848 XVSNACFMDWIYSG-QGZVFWFLSA-N 317.389 1.758 0 40 DDAB O=C(CSc1nc(O)cc(=O)[nH]1)Nc1cccc(Cl)c1 17032376 YPASAXZJHVCFTD-UHFFFAOYSA-N 311.750 1.860 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(C2CC2)CC1 69418000 AAQZRKCJENZQDC-BLLLJJGKSA-N 302.374 1.522 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 69917780 SRAXQDBISMLUPD-OAHLLOKOSA-N 306.406 1.371 0 40 DDAB CCN1CCO[C@@H](CNCc2cc(OC)cc3c2O[C@H](C)C3)C1 69976763 ZJJXJWCTXJKKRE-DYVFJYSZSA-N 320.433 1.829 0 40 DDAB COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1OC 69590004 LCFQOUSNAOYYSE-HNNXBMFYSA-N 306.406 1.657 0 40 DDAB CC(C)N1CC[C@]2(CCn3c2nnc(-c2ccncc2)c3=O)C1 306126127 DNOJFVMMCNGTDX-KRWDZBQOSA-N 311.389 1.456 0 40 DDAB CC[C@H]1CCCCN1C(=O)CNCC1CCN(CCO)CC1 69627860 SEZGDLKUZUXDHN-INIZCTEOSA-N 311.470 1.071 0 40 DDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1 65427926 HZCIEUUURZKJHD-CYBMUJFWSA-N 318.402 1.963 0 40 DDAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1nnc(C)s1 14051192 JEWVDFFDMOKXGV-UHFFFAOYSA-N 300.343 1.912 0 40 DDAB CCSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 14095176 ACJUNYRBUDMAQD-UHFFFAOYSA-N 316.390 1.572 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Sc2nc3ncccn3n2)on1 14146099 WTRHSIMPKUZRGU-QMMMGPOBSA-N 304.335 1.540 0 40 DDAB CN(Cc1cc(=O)n(C)c(=O)n1C)[C@H]1CCCc2ccccc21 8769483 VYTSBZUTJDYJPE-INIZCTEOSA-N 313.401 1.593 0 40 DDAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)NC2CCCCC2)n1 6678053 DDFUFCYWCPINQR-VIFPVBQESA-N 311.407 1.708 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC[C@H]1CCCO1 6881770 MITYVVHGAMDZJY-LSDHHAIUSA-N 323.389 1.406 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306145052 ZWDYSAUDNIADRB-CYBMUJFWSA-N 306.362 1.114 0 40 DDAB CCc1cccc2c(C(=O)COC(=O)Cn3cnnn3)c[nH]c12 7036420 KZRFGDPGNGLPRO-UHFFFAOYSA-N 313.317 1.143 0 40 DDAB C[C@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCS1(=O)=O 90466007 DRLHXZJLZNIOHA-KGLIPLIRSA-N 316.467 1.334 0 40 DDAB CCN(CC(=O)NC(C)C)CC(=O)N1c2ccccc2C[C@@H]1C 7682218 USMVTTUWBFJUFS-AWEZNQCLSA-N 317.433 1.811 0 40 DDAB c1nc(N2CCO[C@H](Cn3cncn3)C2)c2ccsc2n1 72276515 AGYAZAUSRMUTFH-JTQLQIEISA-N 302.363 1.188 0 40 DDAB CC(C)[C@H](NC(=O)Cn1ncsc1=O)c1ccc(F)cc1 97108598 SMQPHUYOCVFXCV-ZDUSSCGKSA-N 309.366 1.957 0 40 DDAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OS(C)(=O)=O 9489167 DMXDQURLMGQJIO-UHFFFAOYSA-N 310.379 1.488 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccco1)C3 19821267 MSOSYFIVYBJAMP-QMMMGPOBSA-N 311.297 1.128 0 40 DDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NCc1ncnn1C 96439334 WUZAGMHAUUUECK-VIFPVBQESA-N 309.320 1.524 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)c2cn[nH]n2)c(OC)c1 71819840 AMEKIDHJMIVOQO-ZDUSSCGKSA-N 302.334 1.799 0 40 DDAB CC(=O)Nc1cccc(OCCNC(=O)NC[C@@H]2CCOC2)c1 71803941 FUUMUEGGISDAEF-ZDUSSCGKSA-N 321.377 1.360 0 40 DDAB COc1ccc(C(N)=O)cc1NCC(=O)NCc1cccs1 71904274 BBDPDZXCYNTEAC-UHFFFAOYSA-N 319.386 1.584 0 40 DDAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc[n+]1[O-] 95351086 POWRACMNJXTQPC-UHFFFAOYSA-N 311.385 1.846 0 40 DDAB CN1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O 84642068 DPLXTGWGBLUZFV-JTQLQIEISA-N 307.316 1.734 0 40 DDAB C[C@@H]1OCCN(C(=O)NCc2ccc(-n3ccnc3)nc2)[C@@H]1C 95421691 ISSIVQSZHCEIJV-OLZOCXBDSA-N 315.377 1.586 0 40 DDAB O=C(Nn1cc(Br)cn1)c1noc2c1CCCC2 95435808 HIDQQYMBBIIOGL-UHFFFAOYSA-N 311.139 1.896 0 40 DDAB COc1ccc(Cn2c(=O)n(C)c(=O)c3ccccc32)cc1F 73681160 TXVNLOMGAQBYEV-UHFFFAOYSA-N 314.316 1.896 0 40 DDAB Cc1c(C(=O)NC[C@H]2COC3(CCCCCC3)O2)cnn1C 95991360 RQVOVWIPBFLCDA-ZDUSSCGKSA-N 307.394 1.924 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](N2CCCC2)C1 74535762 GOJZXGNRGBEFPH-HNNXBMFYSA-N 319.453 1.919 0 40 DDAB CN(C)C1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 89314082 LXIHSMZCQFLMRL-UHFFFAOYSA-N 323.412 1.347 0 40 DDAB CS(=O)(=O)CC1(CN2CC[C@H](Oc3cccnc3)C2)CCC1 89484227 UNTLMMFCAFVQQO-HNNXBMFYSA-N 324.446 1.750 0 40 DDAB COC(=O)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)O1 89496939 PYDDNDQTUYTNBI-CJNGLKHVSA-N 315.373 1.635 0 40 DDAB O=C(NCCOc1ccc(C(F)(F)F)cn1)c1csnn1 89794220 PCLJRMRKEZYGKO-UHFFFAOYSA-N 318.280 1.761 0 40 DDAB C[C@H]1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)C1 89929888 OBOWCRSYUPAGFX-ZFWWWQNUSA-N 302.374 1.282 0 40 DDAB Cn1ccnc1C[C@@H](NC(=O)N1CCOCC1)c1ccccc1 75537576 QSXACNBGIBFCDO-OAHLLOKOSA-N 314.389 1.746 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2ccc(Cn3cccn3)o2)n1 28573841 DMLNRSAMGSNMFM-UHFFFAOYSA-N 313.361 1.768 0 40 DDAB Cc1ccc(N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 409382213 QBGRGMKERWMFPZ-CYBMUJFWSA-N 312.435 1.922 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 36056045 XSIXPVDIIIVOSI-CABCVRRESA-N 322.430 1.678 0 40 DDAB CC1(O)CCN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)CC1 1551542747 MDHXBPDNRABJMQ-OLZOCXBDSA-N 321.343 1.085 0 40 DDAB O=C(c1ccnnc1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 306134960 OCOLGUFWVTVBGZ-JKSUJKDBSA-N 316.405 1.192 0 40 DDAB CCOC1(C)CN(C(=O)Cc2nnc(-c3ccccc3)n2C)C1 519178500 LDXAHNDKQUPPBT-UHFFFAOYSA-N 314.389 1.662 0 40 DDAB CN(CCc1nc2ccccc2[nH]1)c1nc(O)c2cnn(C)c2n1 521398504 KVBZDOYVYBRIRT-UHFFFAOYSA-N 323.360 1.624 0 40 DDAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCN1CCOCC1 216425199 PPZCRMPXPOLMMT-MRXNPFEDSA-N 322.405 1.301 0 40 DDAB CCC(=O)c1ccc(OCC(=O)NCCNC(=O)C(C)C)cc1 36656285 KGCRWEGIGOHYJH-UHFFFAOYSA-N 320.389 1.547 0 40 DDAB CN(C)C(=O)c1cc([C@@H]2CCCCN2c2cnccn2)n[nH]1 72356364 ZPLNHYLGMHEAND-ZDUSSCGKSA-N 300.366 1.633 0 40 DDAB Cc1cc(C)nc(N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1 72356771 YZQQPKNWWABBAR-KRWDZBQOSA-N 318.421 1.748 0 40 DDAB CCCNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217543930 PUOCYABHKPMSBI-UHFFFAOYSA-N 312.391 1.673 0 40 DDAB CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C2CC(=O)C2)CC1 566791328 XDNHCEZPBMIFCX-MRXNPFEDSA-N 324.465 1.685 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217411746 YTLNOEQWVRTENJ-SECBINFHSA-N 316.379 1.130 0 40 DDAB COc1ccccc1C(=O)Nc1c(C(=O)N(C)C)nn(C)c1C 72250640 VEDFKNZCGJVFKB-UHFFFAOYSA-N 316.361 1.691 0 40 DDAB NC(=O)C1(NC(=O)c2ccc(N3CCC3)nc2)CCCCC1 563594602 HNIMIKUGKIANBT-UHFFFAOYSA-N 302.378 1.210 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O 49548398 SEAFFYSOKRKJIE-YGRLFVJLSA-N 317.345 1.012 0 40 DDAB C[C@H](C(=O)N(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 222585987 HSTDNHXVKXZLDM-MRVPVSSYSA-N 306.334 1.208 0 40 DDAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=N)N 226105267 OMFOBCSAUBJMAG-UHFFFAOYSA-N 311.407 1.484 0 40 DDAB Cc1nn(C)c2cnn([C@@H](C)C(=O)N[C@H](C)c3ccncc3)c12 41123754 NBYHISISRLKVKX-PWSUYJOCSA-N 312.377 1.912 0 40 DDAB COc1ccc(-c2nc(C)c(C(=O)NCC(=O)O)s2)cc1 40266205 NIJBUSBWHKEPSW-UHFFFAOYSA-N 306.343 1.942 0 40 DDAB Cn1[nH]c([C@@H]2CCCN2C(=O)c2c[nH]c3nccc-3c2)nc1=N 570689537 VXBKXAYOPDWUJZ-NSHDSACASA-N 311.349 1.033 0 40 DDAB CC(=O)N(C)Cc1nnc2n1CCCN(Cc1cccs1)C2 96259624 MEAUSTUFBMKREE-UHFFFAOYSA-N 319.434 1.724 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@@H]2C1 96042702 DYUGIRMMEJDMRT-YNEHKIRRSA-N 309.435 1.519 0 40 DDAB COc1ccsc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 96407856 JGKFUUXOIAALAF-GFCCVEGCSA-N 312.435 1.579 0 40 DDAB O=C(c1ccsc1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 96110668 SFWGHWSITSTJQY-STQMWFEESA-N 300.387 1.747 0 40 DDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(C)=O)Oc2ccccc21 96111738 RQYSTJZOZUYHIK-JSGCOSHPSA-N 304.346 1.048 0 40 DDAB biogenic,in-vitro CN1C(=O)C[C@@H](c2ccncc2)C12CCN(c1ncccn1)CC2 96261237 RTWZDXKBVPMZJG-HNNXBMFYSA-N 323.400 1.857 0 40 DDAB Cc1cccc(CN2CC[C@]3(CCCN(CCO)C3)C2=O)n1 96224758 ZZIALPFNVLZSHM-KRWDZBQOSA-N 303.406 1.197 0 40 DDAB Cc1ccc(NCc2cn3c(n2)CN([C@H]2CCOC2)CC3)nn1 96197532 UUHRCKDBSVSVJP-AWEZNQCLSA-N 314.393 1.198 0 40 DDAB CCCCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 96344681 LMDDNMWBWWVDPT-CYBMUJFWSA-N 303.362 1.434 0 40 DDAB Cn1cc([C@@]2(C)CN(CCCN3CCCCC3)CCO2)cn1 97103398 FDSZJKGYSXLXPP-QGZVFWFLSA-N 306.454 1.844 0 40 DDAB CCN(C(=O)NCCc1ccco1)[C@H](C)CS(C)(=O)=O 96405816 OLNGNBJZWRDVLO-LLVKDONJSA-N 302.396 1.287 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@H](N(C)Cc1ccco1)CO2 96048031 CBWMLSLTEHBNCD-AWEZNQCLSA-N 322.405 1.508 0 40 DDAB COCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 247865237 XKJTZGQBBDBIPJ-ZDUSSCGKSA-N 306.362 1.114 0 40 DDAB CC[C@H](NC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21)c1nccs1 347298051 FTRXNFIEIGTIDU-GRYCIOLGSA-N 322.434 1.856 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1 257284214 PBTYTNVCROXGKQ-INIZCTEOSA-N 319.336 1.284 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O 257264227 LTLWMTBHEFYTNX-UMVBOHGHSA-N 303.362 1.253 0 40 DDAB Cn1nccc1CCC(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257221810 DQPXYOMHSHXSTF-GFCCVEGCSA-N 315.377 1.255 0 40 DDAB CC(C)C(=O)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257334915 YHVOXLPCZFKXQP-HUUCEWRRSA-N 302.374 1.281 0 40 DDAB C[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccoc1)c1ccccc1 90613182 KUEMQBHOFUGXMU-WFASDCNBSA-N 316.357 1.697 0 40 DDAB COCC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575404655 SULKYPAQDIXZMJ-AWEZNQCLSA-N 320.389 1.252 0 40 DDAB COc1ncc(CN2CC[C@H](Cc3ccccc3)[C@@H](O)C2)cn1 585278248 AGRCYNDZCVCCPS-SJORKVTESA-N 313.401 1.911 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(C)c1 585141903 IBZURGYDOFUSMW-LBPRGKRZSA-N 323.418 1.945 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)CCc1ccc[nH]1)C2 585111042 VWEQKUIEQDZPKT-CQSZACIVSA-N 316.405 1.936 0 40 DDAB CCOC(=O)CN1CCN(c2ccc(C(C)=O)cc2F)CC1 52686819 HJWHQAPSQDWBPS-UHFFFAOYSA-N 308.353 1.713 0 40 DDAB COC(=O)CNC(=O)c1cccc(Cn2nc(C)cc2C)c1 69452332 ZZLVXCOAKWSICN-UHFFFAOYSA-N 301.346 1.451 0 40 DDAB CC(C)COCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69433207 MNEGXKQYXWVRMN-UHFFFAOYSA-N 322.453 1.517 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1c[nH]nc1C(C)(C)C)CC2 69621829 SMFGFDXACVANBN-LBPRGKRZSA-N 302.426 1.966 0 40 DDAB COCCCN(C)C(=O)CCNC(=O)N(C)Cc1ccccc1 69709921 XGPYWIILLGETEJ-UHFFFAOYSA-N 321.421 1.713 0 40 DDAB O=C(Nc1ccnc2ccnn12)c1cn(Cc2ccccc2)nn1 108720589 ZDTCYMXPXOTLHK-UHFFFAOYSA-N 319.328 1.621 0 40 DDAB Cc1ncsc1CN(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 95409810 AIHMAIBJDULAOK-LBPRGKRZSA-N 317.480 1.555 0 40 DDAB CC(=O)O[C@H]1C=CC[C@H]2C(=O)c3c(O)cccc3[C@](C)(O)[C@H]12 5028858 LVMQQXVLRIZFOF-NWLDYVSISA-N 302.326 1.920 0 40 DDAB CC(C)[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)NC(N)=O 5402786 IKYBGVKNTLFQMJ-GFCCVEGCSA-N 307.350 1.129 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)NCCOc1ccc(Cl)cc1 32722456 QTLQLSYBPSYPHT-GFCCVEGCSA-N 313.785 1.528 0 40 DDAB C[C@@H](NC(=O)Cc1ccsc1)c1cccc(S(N)(=O)=O)c1 40215710 ZEUHRFGNELWBIP-SNVBAGLBSA-N 324.427 1.815 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)NCC1(N)CCCCCC1 36266790 YIEMFQKDACANLY-UHFFFAOYSA-N 300.428 1.357 0 40 DDAB COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(C3CC3)on1)CC2 265082527 RRXICPZXRVTSTR-NSHDSACASA-N 304.346 1.967 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2CN(c3ccc(F)cn3)C[C@@H]21 2087137599 VSIWRJXNNBAKHC-MFKMUULPSA-N 311.382 1.223 0 40 DDAB Cc1cccc(CC(=O)OCn2nnc3ccccc3c2=O)c1 428870 JMPBPHLCXRGFNC-UHFFFAOYSA-N 309.325 1.843 0 40 DDAB COC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 4385890 VZHOLBOAQIAJJD-GHJWDPDVSA-N 302.330 1.344 0 40 DDAB COCCn1ncc2c1COC[C@@H]2CNC(=O)c1ccc(C)o1 2055759307 JVXJFKOZIVZLHM-LBPRGKRZSA-N 319.361 1.475 0 40 DDAB O=C(C1CC1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 2055715744 FZCYTJJEHHMWMV-ZRGWGRIASA-N 323.396 1.580 0 40 DDAB COc1ccc(NC(=O)NCCCn2ncccc2=O)cc1 23137401 QHCGOYCZRMZMPT-UHFFFAOYSA-N 302.334 1.464 0 40 DDAB Cc1cc(C)nc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)n1 2298028262 GERGYHOCZWROTR-CQSZACIVSA-N 300.410 1.538 0 40 DDAB O=c1nc(SCc2ccncc2)c2c(n1CCO)CCCC2 10256720 CMUVGHPXPCENHG-UHFFFAOYSA-N 317.414 1.802 0 40 DDAB O=C(O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C[C@]23C=C[C@H]1O3 4995852 FYMDPHPYLXMCGD-RTWAVKEYSA-N 305.717 1.711 0 40 DDAB CCCc1cc(=O)n2nc(NCc3cccc(OC)c3)nc2[nH]1 100641621 AGSNXLGRJIGDCV-UHFFFAOYSA-N 313.361 1.991 0 40 DDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc3cnccc23)C1 73098929 JGEIFLPHUJQDTQ-GFCCVEGCSA-N 319.386 1.128 0 40 DDAB CCOC(=O)c1nn(-c2ccc(C)cc2)/c(=N/C(C)=O)s1 75683 VVVTUQVPTIAAQG-PFONDFGASA-N 305.359 1.866 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1O 100247768 KNWRWNACPFMHBP-SNVBAGLBSA-N 302.290 1.284 0 40 DDAB O=C(CN1[C@H]2CC[C@H]1c1ccccc12)N[C@@H]1CCCCNC1=O 101220652 GFOWYPLGHVAWAK-PMPSAXMXSA-N 313.401 1.663 0 40 DDAB CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)O)nc2c1 2656620 UZMXVJYFIKMHLW-UHFFFAOYSA-N 316.360 1.255 0 40 DDAB O=C(c1cc(Cl)c[nH]1)N1CCN(CCCn2cncn2)CC1 52161135 PSWUQJZXXNTWTI-UHFFFAOYSA-N 322.800 1.108 0 40 DDAB CCc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 21366689 DFCKKYWNRHEEAG-GFCCVEGCSA-N 313.357 1.121 0 40 DDAB CC(C)(CN1CCCN(CC(C)(C)C(=O)O)C1=O)C(=O)O 1568408 XXISCGZTUNMEFW-UHFFFAOYSA-N 300.355 1.336 0 40 DDAB O=C(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1 1701223 VXAKENRENSXOFN-UHFFFAOYSA-N 302.238 1.725 0 40 DDAB CCOc1ccc(S(=O)(=O)NCCN(CC)CC)cc1 3339720 BFPQKTPDCYPABM-UHFFFAOYSA-N 300.424 1.705 0 40 DDAB Cc1cccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c12 4131196 XKLYWFVKVQBUTI-UHFFFAOYSA-N 315.417 1.648 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@H]1c1nnc2n1CCCCC2 32970671 SQFODHDWOWAVTM-STQMWFEESA-N 320.393 1.083 0 40 DDAB CCCn1c(=O)n(CC(=O)NC[C@@H]2CCOC2)c2ccccc21 41371590 FCUFJDQEBVHUHM-ZDUSSCGKSA-N 317.389 1.366 0 40 DDAB COc1cc(C(=O)NCCc2c[nH]cn2)cc(OC)c1OC 6693984 PNUFLCXOJXKLEC-UHFFFAOYSA-N 305.334 1.408 0 40 DDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncccn2)n1 107800311 XZYIIDUYWKCOQK-GJZGRUSLSA-N 309.373 1.560 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(C)cc4)C(=O)[C@H]13)O2 100634584 FFWORHUJCFCVGH-JTOWHCCKSA-N 313.353 1.845 0 40 DDAB COCCCN1C[C@@H](O)c2cc(Cl)sc2S1(=O)=O 22002675 FMNGDEKOOMHKNT-MRVPVSSYSA-N 311.812 1.476 0 40 DDAB in-vitro Cc1oc(-c2cccs2)nc1C(=O)N[C@H](C)C(=O)N(C)C 46830220 SKMXDLWUTGRKLG-MRVPVSSYSA-N 307.375 1.918 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@@H]2CCC[C@@H]21 53372501 PDFZPAMEEMVHDK-UONOGXRCSA-N 303.358 1.780 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 8091123 LQSXCIRYWAWUJX-UHFFFAOYSA-N 317.311 1.712 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)C3CCC3)CC2)C1 108532290 APYUXSROZWIHOG-UHFFFAOYSA-N 300.424 1.107 0 40 DDAB O[C@H](CNCc1ccc(Br)cc1)CN1CCCC1 42320074 KXCRZIIBZQGSPS-CQSZACIVSA-N 313.239 1.995 0 40 DDAB CCCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105643026 ODXYNEZHUZGOMN-OFQRWUPVSA-N 321.465 1.529 0 40 DDAB O=C(NC[C@H]1CCCO1)NC1CCN(c2ccccn2)CC1 47594413 ZVAQGISSBHKHAT-CQSZACIVSA-N 304.394 1.529 0 40 DDAB Cc1nn(C(C)C)c2cnn(CCNC(=O)[C@@H]3CCCO3)c12 57279718 JWGXPGYVSPELIX-ZDUSSCGKSA-N 305.382 1.417 0 40 DDAB CC[C@H]1CN(CCOc2ccccc2F)CCN1C[C@H](C)O 106841058 HUNPOZIJRWGYML-GJZGRUSLSA-N 310.413 1.982 0 40 DDAB CN(Cc1ccsc1)C(=O)CN(C)c1ncnc2[nH]cnc12 56174306 LFCCBVGFPHVNSZ-UHFFFAOYSA-N 316.390 1.509 0 40 DDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 22227496 OIAJGGLSEVLUPT-UHFFFAOYSA-N 308.403 1.497 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 78892446 BQPLIMHXCBFSOA-CQSZACIVSA-N 316.361 1.458 0 40 DDAB CCCc1noc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)n1 47980901 KMFVNACRRFLQAS-CYBMUJFWSA-N 306.410 1.760 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N(C)Cc1nc2ccccc2s1 27404130 LSNNVJZKJVXAAV-LBPRGKRZSA-N 319.430 1.975 0 40 DDAB O=c1oc2cc(Br)ccc2n1CN1CCOCC1 27467459 YSHRGWOHWORLOE-UHFFFAOYSA-N 313.151 1.647 0 40 DDAB Cc1nc2ccc(C(=O)NCCNc3cnccn3)cc2nc1C 58143802 PHRNCRAPWIJDDR-UHFFFAOYSA-N 322.372 1.879 0 40 DDAB Cc1cccc(OCCNC(=O)N2CCC[C@H](C(N)=O)C2)c1 58169106 IBFFLGHHLOVYPX-ZDUSSCGKSA-N 305.378 1.281 0 40 DDAB O=c1cc(CNC[C@@H]2Cc3ccccc3O2)nc2ccccn12 58194576 RGJPZDIDZCZBCD-HNNXBMFYSA-N 307.353 1.788 0 40 DDAB c1ccc(CN2CCCC2)c(CNc2cncc3nnnn23)c1 58167869 QLVNXMMCJQSTHC-UHFFFAOYSA-N 309.377 1.727 0 40 DDAB CS(=O)(=O)NCCCNC(=O)Nc1cnc2ccccc2c1 58197620 GWPLZOOXDWHPEB-UHFFFAOYSA-N 322.390 1.296 0 40 DDAB Cn1cccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1 3279278 CQVFWCFRSSIEBT-UHFFFAOYSA-N 307.350 1.340 0 40 DDAB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2c(C)nn(C)c2n1 27985191 VXBMOFVUBONPRF-QWRGUYRKSA-N 302.378 1.835 0 40 DDAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)O)cs2)cc1 26423421 JBEUOFCVPXTAPZ-UHFFFAOYSA-N 312.372 1.917 0 40 DDAB COc1c(CNC[C@@H](O)COc2ccccc2)c(C)nn1C 58323905 JZJURNYACXIOBR-CYBMUJFWSA-N 305.378 1.267 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N[C@@H]1CCCc2ccccc21 3350842 IVBFTZSPDPRBTJ-GXFFZTMASA-N 317.418 1.885 0 40 DDAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCSCC1 48251285 WSTXIVIKBRMOLM-UHFFFAOYSA-N 315.398 1.481 0 40 DDAB COc1ccc(CC(=O)N2CCC[C@H](c3nncn3C)C2)cc1 48260723 GWWBTXDHEPFMNM-AWEZNQCLSA-N 314.389 1.772 0 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311.417 1.790 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)o1 7194892 UQFKJXGQZBPKCZ-ZETCQYMHSA-N 310.335 1.574 0 40 DDAB O=C1CN(C(=O)c2ccc(C3SCCS3)cc2)CCN1 15566027 RFRSASSVNJGCKT-UHFFFAOYSA-N 308.428 1.737 0 40 DDAB CCN(CC)C(=O)CN(C)CC(=O)N[C@H](C)c1cccs1 16396904 JBDUGENKECAKPH-GFCCVEGCSA-N 311.451 1.726 0 40 DDAB COc1ccc(C(=O)Nc2nc(CC(C)=O)ns2)cc1OC 8192007 JCUIPIYEGAXKBO-UHFFFAOYSA-N 321.358 1.939 0 40 DDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCc1ccncc1 9423127 PRHJLLPWNZZGPN-UHFFFAOYSA-N 317.740 1.130 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](C(F)(F)F)C1 84136489 JNSXYEUXSOLMQF-NXEZZACHSA-N 304.312 1.798 0 40 DDAB COC[C@H]1CN(C(=O)N[C@@H]2CCc3ccc(F)cc32)CCO1 96439983 RUBUEAZVUCCACI-UKRRQHHQSA-N 308.353 1.870 0 40 DDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@@H](O)COCc1cccs1 71877696 GJKFZDBUXPYTDD-PWSUYJOCSA-N 310.375 1.052 0 40 DDAB CCc1nc(CN2CCC[C@H](N(C)CCn3cccn3)C2)no1 71882277 CUNAEYVFJBQZLZ-AWEZNQCLSA-N 318.425 1.425 0 40 DDAB Cc1ccc2oc(=O)n(CN3CCC(CC(N)=O)CC3)c2c1 71817272 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CONC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 69460397 RDFRRABINRKTMT-UHFFFAOYSA-N 304.203 1.716 0 40 DDAB COc1ccc([C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3ON2c2ccccc2)cc1 101268031 NGIVGQYVXNWQGB-HRCADAONSA-N 324.336 1.829 0 40 DDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)C=C2CCCCC2)CC1 69452686 CSLFEVNUSRAQPD-MRXNPFEDSA-N 319.449 1.818 0 40 DDAB Cc1cnc(S(=O)(=O)Cc2cnn(C)c2C(F)(F)F)nc1 91576130 TVKQCEQGAHBFFF-UHFFFAOYSA-N 320.296 1.511 0 40 DDAB Cc1noc(C(C)C)c1C(=O)NCCNC(=O)c1cccn1C 23003386 XBDAVNKTNRERAE-UHFFFAOYSA-N 318.377 1.605 0 40 DDAB COC1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 54358348 KRUGUFJUQDIAEX-UHFFFAOYSA-N 309.410 1.555 0 40 DDAB CCN(CC)CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 3036992 MVHOJIGDHIYXSJ-AWEZNQCLSA-N 321.446 1.948 0 40 DDAB CN(CC(N)=O)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 47628483 IKZJNNKAFNAQSM-UHFFFAOYSA-N 322.365 1.305 0 40 DDAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cnccc1C)C2 108536421 RJLHUQPOVBXWDO-WMLDXEAASA-N 301.390 1.768 0 40 DDAB Cc1nccc(C(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)n1 84290704 NJBKSTYDSROGKV-GFCCVEGCSA-N 316.365 1.240 0 40 DDAB CN(CC(=O)N1CC[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 106570174 DZGAJTVWFZJVIC-LSDHHAIUSA-N 322.430 1.079 0 40 DDAB CC(C)COCCCNC(=O)c1n[nH]c(=O)c2ccccc12 25179641 MJYXZWMPJUFYLN-UHFFFAOYSA-N 303.362 1.716 0 40 DDAB COc1ncccc1C(=O)NC1CCN(C(=O)C(C)C)CC1 25289478 DUQXIQFBEBWOMC-UHFFFAOYSA-N 305.378 1.467 0 40 DDAB CCOC(=O)c1c(S(=O)(=O)N2CCCCC2)n[nH]c1C 57478204 JUBSSQQVIKNMEQ-UHFFFAOYSA-N 301.368 1.069 0 40 DDAB Cc1cnc(N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)nc1 107199382 XPNAFKOPAASECM-JKSUJKDBSA-N 302.422 1.865 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCCC1 58178607 WEOSSMCLAIWFAI-SECBINFHSA-N 318.345 1.254 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccs1 27626261 PEILTWKMNPODGK-RYUDHWBXSA-N 306.387 1.540 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1c[nH]ccc1=O 44902926 VZLLGCBBVVLQGQ-UHFFFAOYSA-N 324.340 1.154 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)c1ccc(CS(C)(=O)=O)cc1 45000399 XXXLBHGREDIFOO-UHFFFAOYSA-N 321.402 1.834 0 40 DDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC3CCCC3)cc21 36353116 POXORJJFPLNZBA-UHFFFAOYSA-N 317.345 1.039 0 40 DDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)N1CCCc2ccccc21 45359811 SCMXCZABCUCETI-AWEZNQCLSA-N 323.414 1.560 0 40 DDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1 28727066 MJUJQUWZJXJRJR-CYBMUJFWSA-N 319.430 1.965 0 40 DDAB COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)OC(C)=O)c2c1 36612253 WXBBQESHFXWQQQ-SNVBAGLBSA-N 304.346 1.787 0 40 DDAB Cc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n(C)n1 28229227 DGGXVICYANUBKF-UHFFFAOYSA-N 301.272 1.891 0 40 DDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccn(C)n1 12754437 ASQHVINPUIOJGJ-LLVKDONJSA-N 302.334 1.674 0 40 DDAB Cn1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n1 12853633 PFGJXRMZJRRMKD-UHFFFAOYSA-N 311.345 1.618 0 40 DDAB CCSc1ccc([C@H](C)NC(=O)CNS(C)(=O)=O)cc1 69534504 DBWVAHOTVMNVKJ-JTQLQIEISA-N 316.448 1.525 0 40 DDAB Cc1ccc(CN(C)Cc2nc(N)nc(N(C)C)n2)c(C)c1 12999249 XSCCTGRHGWWLIJ-UHFFFAOYSA-N 300.410 1.769 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 69950409 ZFHYTLPNTSFLRB-UHFFFAOYSA-N 321.196 1.059 0 40 DDAB O=C(CN1CCC[C@@H]1CO)Nc1ccccc1N1CCCC1=O 63512436 FQTZVWDTEISDFV-CYBMUJFWSA-N 317.389 1.209 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)N1CCCC[C@@H]1C)c(=O)[nH]n2C 69700858 MFTNMEDRGCXPAM-JTQLQIEISA-N 316.405 1.822 0 40 DDAB CCCCc1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)cc1 4270296 XFYSAMSQERNDAZ-UHFFFAOYSA-N 323.374 1.619 0 40 DDAB CC(C)(CO)NC[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 27666052 BZVPYRJCQILYSM-QFQXCOSMSA-N 311.466 1.941 0 40 DDAB COc1ncccc1C(=O)N1CCN(Cc2cc(C)on2)CC1 65475394 KSGJIOKDISSLSP-UHFFFAOYSA-N 316.361 1.345 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCO1 14114116 KVXDPAOXMMBSAD-LLVKDONJSA-N 301.346 1.103 0 40 DDAB C[C@H](CN1CCCCC1)NC(=O)Nc1cncnc1N(C)C 96008035 TWNICJXUWKVTJX-GFCCVEGCSA-N 306.414 1.539 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CSc2nnnn2C)cc1C 6643435 BDVMRPHGNIYYTH-NSHDSACASA-N 305.407 1.796 0 40 DDAB CCCc1noc(CS(=O)(=O)C[C@H](O)c2ccccc2)n1 66499815 OWOPYFRSSMDCDS-LBPRGKRZSA-N 310.375 1.671 0 40 DDAB CN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1COc2ccccc2C1 66657310 NPZNOHSZPIAOFQ-CHWSQXEVSA-N 320.414 1.227 0 40 DDAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)on1 6852204 MFVYASSDXFKYQV-SECBINFHSA-N 318.285 1.896 0 40 DDAB C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)[C@@H]1COCCO1 66885755 UYHPXUYLMPSWDZ-ABAIWWIYSA-N 308.330 1.695 0 40 DDAB NC(=O)NC(=O)CCN1CCC[C@@H]1c1cccc2c1OCCO2 66899415 OHRJCDLUGZCHCL-GFCCVEGCSA-N 319.361 1.180 0 40 DDAB O=C(NCCNC(=O)c1cnccn1)c1ccc(Cl)cc1 4985278 IKFKWTBKFOMDPF-UHFFFAOYSA-N 304.737 1.290 0 40 DDAB O=C(NCc1ccncc1)c1cn(Cc2ccc(F)cc2)nn1 4929295 OVZTZBFOPNBGAC-UHFFFAOYSA-N 311.320 1.791 0 40 DDAB Cc1cc(C)n(CC(=O)NCC(=O)Nc2cccc(C)c2C)n1 16204067 JCSAPJVQPXVXSJ-UHFFFAOYSA-N 314.389 1.872 0 40 DDAB O=C(NCc1ccc(O)c(F)c1)Nc1nnc2ccccn12 72292049 KKUOIGDQCMBURG-UHFFFAOYSA-N 301.281 1.896 0 40 DDAB CC(=O)NCCNC(=O)N[C@@H]1CCCN(C2CCCCC2)C1 69151573 PCNLGKWUJVVAHG-CQSZACIVSA-N 310.442 1.219 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1noc3c1CCCC3)C2 97198469 DETWTGFBLSKVEA-NSHDSACASA-N 300.362 1.803 0 40 DDAB O[C@@H](COCc1ccccc1F)CN1CCn2ccnc2C1 97201098 DPFHNGNCUYAUAS-CQSZACIVSA-N 305.353 1.416 0 40 DDAB C[C@H](N[C@H](C(N)=O)c1ccccc1)C(=O)NCc1ccco1 71841202 ZVFWHLTYKNKCIJ-FZMZJTMJSA-N 301.346 1.101 0 40 DDAB CN(C(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C1CCCC1 71827002 YEWPGNGSOLKANU-UHFFFAOYSA-N 315.373 1.859 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)OCO3)C2 71860115 ROZYFADULKTNTM-UHFFFAOYSA-N 312.329 1.446 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1ccncc1 71821882 ZZJMRLYTMMLTRB-VOTSOKGWSA-N 309.369 1.999 0 40 DDAB C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 94345650 AFAQCZZJJBJTPZ-CPCISQLKSA-N 308.325 1.380 0 40 DDAB CCc1ocnc1C(=O)N1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 78889577 RBFNYBNSQLIVQS-LLVKDONJSA-N 319.365 1.692 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccnc2)CC1 95392676 CWSSDGRLEYZUSZ-GJZGRUSLSA-N 301.390 1.512 0 40 DDAB O=C(Cc1ccon1)N[C@@H]1CCCN(c2ccccc2F)C1=O 95445858 TVJNATJDTWSVDZ-CYBMUJFWSA-N 317.320 1.668 0 40 DDAB C[C@@H](CCN1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1 95428285 UXWNSNUUZMTAKW-INIZCTEOSA-N 306.498 1.325 0 40 DDAB Cn1cc(NC(=O)c2ccc3nncn3c2)cc(Cl)c1=O 79108718 BGDVELXBAMFZBR-UHFFFAOYSA-N 303.709 1.334 0 40 DDAB COC(=O)c1cn(C2CCN(C(=O)CCOC(C)C)CC2)nn1 95940068 QXIOVQZRJLUCMA-UHFFFAOYSA-N 324.381 1.043 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](N2CCCC2)C1 74535767 GOJZXGNRGBEFPH-OAHLLOKOSA-N 319.453 1.919 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125420 ORSSGEPRUSBKKH-SNVBAGLBSA-N 313.317 1.045 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1 75132175 METFYDRTSDPZCC-AWEZNQCLSA-N 305.382 1.401 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(c1ccc3nnc(C)n3n1)CC2 89986567 LTIDFRUXIRQAAD-STQMWFEESA-N 317.393 1.189 0 40 DDAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccco1 41976219 RBIVDEBPMVABCJ-WCQYABFASA-N 305.378 1.009 0 40 DDAB CN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Br 548199459 POBOBWDNIVSSIG-SECBINFHSA-N 301.140 1.846 0 40 DDAB Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 77938183 VSBMSVKIWQEOQS-BXUZGUMPSA-N 308.353 1.740 0 40 DDAB CN(C)C(=O)CNS(=O)(=O)Cc1ccccc1C(F)(F)F 79097578 LZTCYSTVTSSNDZ-UHFFFAOYSA-N 324.324 1.213 0 40 DDAB CSc1nc(O[C@H]2CCCNC2)cc(O[C@@H]2CCCNC2)n1 72203279 BKVBAFLLRBYJGB-TXEJJXNPSA-N 324.450 1.460 0 40 DDAB CN1C(SCc2ccccc2F)=N[C@@H]2CS(=O)(=O)C[C@H]21 32508751 AGQLAKDIYLTAJJ-VXGBXAGGSA-N 314.407 1.526 0 40 DDAB O=C(N1CCOCC1)N1CCN(Cc2cccc(Cl)n2)CC1 75613609 GDCHMVMRAGVLKH-UHFFFAOYSA-N 324.812 1.305 0 40 DDAB CCO[C@@H](C)C(=O)N(CCCO)S(=O)(=O)c1cccs1 78442610 PKUKHYBYYLGTPB-JTQLQIEISA-N 321.420 1.073 0 40 DDAB Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n1 76500823 LCPCYBJCMRFDBW-KBPBESRZSA-N 310.419 1.818 0 40 DDAB C[C@H](N)C(=O)N(C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393081 VDJGRMUBMCCAKV-DZGCQCFKSA-N 319.405 1.593 0 40 DDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@H](n3cccn3)C2)c1 567306994 FGECTWCSXMUURU-AWEZNQCLSA-N 322.372 1.859 0 40 DDAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC=C(F)C1 329261052 BAXKIZVUUJILCY-UHFFFAOYSA-N 324.377 1.926 0 40 DDAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)nnn1C 574049724 HYJMJZDASCXNFN-SNVBAGLBSA-N 317.324 1.254 0 40 DDAB COCC1(CC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)CC1 569607563 ROBKBACICKKDNV-OAHLLOKOSA-N 307.394 1.311 0 40 DDAB Cc1cccc(N2CCN(c3cncc(C(N)=O)n3)CC2)c1C 80768492 HBWNZSOWAYBPKQ-UHFFFAOYSA-N 311.389 1.519 0 40 DDAB CC[C@@H](C)n1ncc(C(=O)N[C@H]2CCCNC2=O)c1C1CC1 89800571 VXYJRZYDEZTIGX-MFKMUULPSA-N 304.394 1.740 0 40 DDAB CN(C)C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc[nH]2)cc1 225673752 PRFLMLPLMQAYHG-UHFFFAOYSA-N 321.402 1.537 0 40 DDAB Cc1ccc(-n2cnc(C(=O)NCC(=O)NC(C)C)c2)cc1 226754352 WKRONUJFZWPEBM-UHFFFAOYSA-N 300.362 1.435 0 40 DDAB Cc1nc(CN2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)cs1 96209592 FYZZEGRDEXAJGH-NILFDRSVSA-N 321.446 1.710 0 40 DDAB O=C(N[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12)C1CC1 96185903 JGKCFJWINJPDLT-YRGRVCCFSA-N 307.419 1.401 0 40 DDAB O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@H]12 96056237 ZFFVOXPTKXIFBM-CWRNSKLLSA-N 304.390 1.739 0 40 DDAB O=C1NC2(CCN(C(=O)CC3CC3)CC2)C[C@H]1c1ccncc1 96069658 OIQGXUUYCYDKSR-HNNXBMFYSA-N 313.401 1.846 0 40 DDAB CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1OC 96113100 ZZMFXBNAROQIBL-DZGCQCFKSA-N 319.405 1.083 0 40 DDAB biogenic,in-vitro c1cncc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 96188620 FTEYFXXGPZZNOX-OAHLLOKOSA-N 309.377 1.202 0 40 DDAB O=C(c1ccoc1)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1 96217035 IWVTUEBQGHQXDL-PBHICJAKSA-N 313.357 1.875 0 40 DDAB COc1cnc(O[C@@H]2CCN(Cc3csc(C)n3)C2)nc1 1206808779 TVMUPNUJRVGYKN-GFCCVEGCSA-N 306.391 1.903 0 40 DDAB COC[C@@H]1COCCC12CCN(C(=O)c1ccn(C)n1)CC2 96206287 JXGBAWDBOWFHNU-CYBMUJFWSA-N 307.394 1.325 0 40 DDAB CS(=O)(=O)c1ccccc1[S@@](=O)C[C@H]1CCCCO1 96452452 VXQBCSAZVHRLOS-ADLMAVQZSA-N 302.417 1.767 0 40 DDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccoc3)CC[C@@H]21 96249272 KXIXCDJGBOTPFK-JKSUJKDBSA-N 321.421 1.147 0 40 DDAB COc1c(C(=O)N2CCCCC2)nnn1Cc1ccccc1 96183506 MCVBUOQZEKZUQA-UHFFFAOYSA-N 300.362 1.961 0 40 DDAB CCc1cnc(CNC(=O)Nc2ccn(CCOC)n2)s1 96434492 HDZYSSVYNRZFGC-UHFFFAOYSA-N 309.395 1.870 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1sc(C)nc1C 96439682 XUSONHOOIFAQRQ-WCBMZHEXSA-N 312.439 1.862 0 40 DDAB C[C@](O)(CN[C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCOCC1 249091956 DJRZHXXZJQTRLT-MCIONIFRSA-N 324.387 1.780 0 40 DDAB O=C(c1ccco1)N1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@@H]21 247801453 GCQLMOKMECMKOJ-KCQAQPDRSA-N 301.346 1.796 0 40 DDAB O=C(NC[C@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccco1 252495778 OZXZRSZRGPWHAD-LLVKDONJSA-N 312.391 1.214 0 40 DDAB C[C@]12CC(=O)[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 257345773 IQWPIVUYONOUOY-KCGRHJETSA-N 322.445 1.901 0 40 DDAB CNC(=O)[C@@]1(C)CN(Cc2cc3cc(OC)ccc3[nH]2)CCO1 257330180 XNFNLOLKLSQSJT-QGZVFWFLSA-N 317.389 1.513 0 40 DDAB Cn1ccnc1[C@@]1(O)CCCN(C(=O)c2cncs2)CC1 257338207 YWLBUWZNDCXTAO-CQSZACIVSA-N 306.391 1.391 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ocnc1C 257257311 KOZWLNILVMKPRJ-ZDUSSCGKSA-N 316.361 1.555 0 40 DDAB C[C@@H](O)CNC(=O)NCCOc1ccc(C(F)(F)F)cc1 43002423 GEVYFXXOVJODOW-SECBINFHSA-N 306.284 1.764 0 40 DDAB CNc1nc([C@@H]2CCCCN2S(C)(=O)=O)cn2cccc12 257316949 VHRMMHCWKABHPT-LBPRGKRZSA-N 308.407 1.863 0 40 DDAB Cc1nccc(C[C@H]2COCCN(Cc3cnn(C)c3)C2)n1 257333132 YAGTYGQIICHFCC-CQSZACIVSA-N 301.394 1.210 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(c3cc(C)ncn3)CC2)C1 257340018 ZEDLTETUKOOALR-HNNXBMFYSA-N 318.421 1.781 0 40 DDAB O=C(CN1CCCC1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257202045 AKFRHMVQUTUDQI-JFIYKMOQSA-N 318.417 1.559 0 40 DDAB CC(C)CN1CCO[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]2C1 585107899 CRFAXMUAMXNVFM-LSDHHAIUSA-N 321.396 1.650 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cc(C)ccn1)[C@@H]2C 585097420 LMYSJSUNHLWTJA-LLVKDONJSA-N 301.350 1.345 0 40 DDAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@@H](C(N)=O)C1 57046075 WGTGTWAQNSPKQU-UONOGXRCSA-N 316.401 1.839 0 40 DDAB COc1cc(N2CCN(c3nnc(C4CC4)s3)CC2)ncn1 302141469 HCMAAJUCHUKEES-UHFFFAOYSA-N 318.406 1.541 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H]1CCOc2ccccc21 89801933 VYQMFLTWATVOGZ-ZFWWWQNUSA-N 302.374 1.536 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCCC12OCCO2 95431179 JCGSAPUCRTURKR-OAHLLOKOSA-N 321.421 1.771 0 40 DDAB Cn1ccnc1C1(O)CCN(C(=O)NCc2ccccc2)CC1 12144589 LJWMTMMTTIWCLK-UHFFFAOYSA-N 314.389 1.613 0 40 DDAB COc1ncc(C2(O)CCN(Cc3ccoc3)CC2)c(OC)n1 12186349 PWMWZUKEBATNLJ-UHFFFAOYSA-N 319.361 1.570 0 40 DDAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3C)C[C@@H](C)O1 14389744 KSNMOHJHMIJONB-AOOOYVTPSA-N 321.406 1.091 0 40 DDAB CN1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)nc(O)c2C1 19590215 LLWWOCBWRDWETE-GFCCVEGCSA-N 316.405 1.286 0 40 DDAB c1ccc(Cc2nccc(N3CCC[C@H](c4nnn[nH]4)C3)n2)cc1 161014798 FHIRTSQFOSPTLH-AWEZNQCLSA-N 321.388 1.965 0 40 DDAB O=C(c1ccncc1)N1CCC(O)(c2cccnc2F)CC1 105748817 IUYRIUHQAHOIBT-UHFFFAOYSA-N 301.321 1.740 0 40 DDAB Cn1[nH]c([C@@H]2CCCN2C(=O)C2Cc3ccccc3C2)nc1=N 565091130 DNVHWKNEZZQFMC-AWEZNQCLSA-N 311.389 1.306 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 13255247 VNKNTAYQELMPHE-OLZOCXBDSA-N 323.370 1.696 0 40 DDAB Cc1cc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)nc(N(C)C)n1 2087122241 CYDAMJVNAVPAOQ-CABCVRRESA-N 319.453 1.277 0 40 DDAB Cc1cccc(-n2nnc3c(=O)n(Cc4ccccn4)cnc32)c1 4271762 KPVJTPPMQOURJP-UHFFFAOYSA-N 318.340 1.729 0 40 DDAB O=c1[nH]c(SCc2ccccc2)nc2c1cnn2CCO 7417971 FITZEHTWFUEDHA-UHFFFAOYSA-N 302.359 1.404 0 40 DDAB CC(C)(C)OC(=O)N1CCc2nc(N[N+](=O)[O-])nc(O)c2C1 85398437 PLHSUFBNZLQGIU-UHFFFAOYSA-N 311.298 1.079 0 40 DDAB Cc1nsc(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)n1 96429430 LTSNYNNZVGUBAC-SECBINFHSA-N 320.422 1.990 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cc(=O)[nH]c2ccccc12 40546098 BZSGALZQKCIGFF-ZIAGYGMSSA-N 308.337 1.979 0 40 DDAB biogenic,in-vitro O=C(Cn1ccccc1=O)NC[C@@H](c1ccco1)N1CCCC1 40460887 HENKVVIENSLMLD-AWEZNQCLSA-N 315.373 1.395 0 40 DDAB CC1=C(C(N)=O)[C@H](c2c[nH]nc2-c2ccccc2)n2ncnc2N1 20606729 MTWDIQIBCKUUNV-AWEZNQCLSA-N 321.344 1.442 0 40 DDAB COc1ccc(CCNC(=O)c2ccccc2-n2cnnn2)cc1 20738300 SQGCTZVOLQPLPM-UHFFFAOYSA-N 323.356 1.643 0 40 DDAB COc1ncnc(N)c1CN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 92063792 VGLLEZMYCGBKIA-ABAIWWIYSA-N 314.389 1.891 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1noc(C2CC2)n1 69840913 AMKWBPBNTSOPLQ-ZIAGYGMSSA-N 304.394 1.922 0 40 DDAB Cc1noc(C)c1CN1CCCC[C@@H]1CCNS(C)(=O)=O 52134386 QYISAIYQIMOVTI-CYBMUJFWSA-N 315.439 1.585 0 40 DDAB Cc1ccnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 32721855 BRCXCROSNGVZLJ-UHFFFAOYSA-N 302.334 1.193 0 40 DDAB O=C(COc1ccc(Cl)c2cccnc12)NCc1cn[nH]n1 72311710 YCWPWJCKXOMJFG-UHFFFAOYSA-N 317.736 1.702 0 40 DDAB CCn1c(SCC(=O)N2CCNC2=O)nc2ccccc21 4484456 HGOFDCQZFUWCAH-UHFFFAOYSA-N 304.375 1.700 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnnn1C 4807652 CEJQASOWCYIFSY-VHSXEESVSA-N 303.391 1.669 0 40 DDAB Cc1cc2c(cc1NC(=O)c1ccccc1)n(C)c(=O)c(=O)n2C 6916724 MKNFBFMKQRJKPG-UHFFFAOYSA-N 323.352 1.798 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cc(F)ccc1F 72300596 DWDCSSLYJUNAMS-YGRLFVJLSA-N 318.389 1.724 0 40 DDAB Oc1c([C@@H](c2ccccc2)N2CCOCC2)sc2ncnn12 33384229 FYFIVJPFVRDBNE-GFCCVEGCSA-N 316.386 1.918 0 40 DDAB COCCN1C(=O)c2n[nH]c(C)c2[C@@H]1c1ccc(O)c(OC)c1 12323679 YEXXHGJYKOTSLY-HNNXBMFYSA-N 317.345 1.624 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863703 KZXRMMZKLRKWTH-CQSZACIVSA-N 309.391 1.384 0 40 DDAB Cn1cc(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)cn1 71915466 NGVJOIUSQMMTMI-UHFFFAOYSA-N 300.297 1.070 0 40 DDAB O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)s1 71914593 ZSVUPVJIXGMBPL-UHFFFAOYSA-N 318.811 1.582 0 40 DDAB C[C@@H]1Oc2ccc(NC(=O)CCn3cncn3)cc2NC1=O 23767792 GVHHTYLLFNKARF-VIFPVBQESA-N 301.306 1.026 0 40 DDAB CN1CCN(C2CCN(Cc3cn4ccccc4n3)CC2)C1=O 75604051 BWOZHIXDRHMTGX-UHFFFAOYSA-N 313.405 1.666 0 40 DDAB COc1cc(S(=O)(=O)NCCC[n+]2cc[nH]c2)c(C)cc1C 101370767 CBMWYRIZAXBVHS-UHFFFAOYSA-O 324.426 1.296 0 40 DDAB Cc1cc(SCC(=O)Nc2sccc2C(N)=O)nc(C)n1 24568955 QEULVODEHXUEQA-UHFFFAOYSA-N 322.415 1.985 0 40 DDAB COc1ccc2c(c1)N(Cc1nnnn1C1CC1)C[C@@H](C)O2 75858064 SJDRQZLKKQICAB-SNVBAGLBSA-N 301.350 1.804 0 40 DDAB O[C@H](CN1CCN(CC2CC2)c2ccccc21)Cn1cccn1 107147249 HGSKYCZULPJUNL-MRXNPFEDSA-N 312.417 1.981 0 40 DDAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 57098032 VJKUZGDEBLOFHN-RYUDHWBXSA-N 308.353 1.581 0 40 DDAB COC(=O)[C@H](Cn1cnc2ccccc21)[C@@H](O)c1ccncc1 12537015 FCPHRZKTXCJTOR-CJNGLKHVSA-N 311.341 1.954 0 40 DDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)NCc2cnn(C)c2)o1 84195320 KLJUTCHLQQUWEI-ZDUSSCGKSA-N 324.406 1.493 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNCc2cc(C(N)=O)no2)cc1 84171725 UVLJCJOVMDQFAM-UHFFFAOYSA-N 311.345 1.762 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)NC1 58161792 UPNKJSZXLYBGCV-UHFFFAOYSA-N 303.362 1.248 0 40 DDAB O=C(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCCCO2 9613683 OQLQUGLSTRLOQG-UHFFFAOYSA-N 319.357 1.670 0 40 DDAB COc1ccc(-c2nnc([C@H](C)N3CC[C@H](C(N)=O)C3)o2)cc1 48039218 GHJMYPKJMUEHLH-JQWIXIFHSA-N 316.361 1.613 0 40 DDAB CC(C)Oc1ccc(C(=O)N[C@H](C)CN2CCOCC2)cn1 44943479 RGLZKHDICPLOHO-CYBMUJFWSA-N 307.394 1.319 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC=CC[C@@H]1C(=O)O 12649741 CRHBLLDNNBKIOW-STQMWFEESA-N 305.378 1.662 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccncc1 21634068 UOPGMOGZPBQLCZ-UHFFFAOYSA-N 319.386 1.262 0 40 DDAB c1ccc(Cn2cccn2)c(CNC[C@@H]2CNc3ccnn3C2)c1 58308319 DGGCRLYHZZVAGD-OAHLLOKOSA-N 322.416 1.959 0 40 DDAB C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H]1CN(C)CCO1 58312471 YOEFIGIDLRUVLB-NEPJUHHUSA-N 312.797 1.554 0 40 DDAB CC(C)OCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 58307075 IETWGHRRTFDDCJ-UHFFFAOYSA-N 319.405 1.618 0 40 DDAB Fc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1 20171291 MDPWXYGJJWGCNP-UHFFFAOYSA-N 315.352 1.994 0 40 DDAB CC(C)(C)n1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 48363358 MNFFWKOBWWELHH-ZDUSSCGKSA-N 300.362 1.595 0 40 DDAB O=S(=O)(NCCCN1CCCC1)c1cc(F)cc(F)c1 48310843 YKSPRQMWXZTWDA-UHFFFAOYSA-N 304.362 1.729 0 40 DDAB C[C@@H](C(N)=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12983113 YBWJTMCIWATAFP-NSHDSACASA-N 318.373 1.226 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nccn1Cc1ccccc1 8725586 QAKPBUVOQSZYJP-NSHDSACASA-N 318.402 1.868 0 40 DDAB CCN1C(=O)C(=O)N(Cc2cc(-c3cccs3)on2)C1=O 9691284 PHKNKFXQYMXQIV-UHFFFAOYSA-N 305.315 1.714 0 40 DDAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCCSCC1 63760784 HFCALCKXOXJSJT-UHFFFAOYSA-N 321.427 1.791 0 40 DDAB COCCN1CC[C@@H](CNC(=O)NCCc2ccccc2)C1 63987415 LIWBYGHJOPRHAU-INIZCTEOSA-N 305.422 1.497 0 40 DDAB CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CCCN(C)C 13628508 XUFHTTQXUCPZML-UHFFFAOYSA-N 323.418 1.224 0 40 DDAB CCN1C(=O)[C@@](CN2CCCCC2)(NC(C)=O)c2ccccc21 13687791 WPMGLXFUIJFLIH-SFHVURJKSA-N 315.417 1.870 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 13794002 LEQMRWVFYGZLEC-HNNXBMFYSA-N 322.430 1.385 0 40 DDAB CCCN1CCC(NC(=O)c2csc(NC(C)=O)n2)CC1 65427480 XZBCOZIXXYXNGV-UHFFFAOYSA-N 310.423 1.706 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)c2cncnc2C)cc1F 65439803 PWWYUDNRJCSUDA-UHFFFAOYSA-N 316.336 1.392 0 40 DDAB CCN1CC[C@@H](CNC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 65400976 HLVBPSNNGNZKLL-LBPRGKRZSA-N 316.409 1.740 0 40 DDAB COc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(OC)c1 65552771 GSTYMNJSCPQLKH-DGCLKSJQSA-N 320.389 1.359 0 40 DDAB Cc1csc(N2CCN(CC(=O)Nc3ccncc3)CC2)n1 65594019 BXOSMRUFSYMZMT-UHFFFAOYSA-N 317.418 1.607 0 40 DDAB CCCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCCC3 6759806 DZUPYIDIOHGAGG-UHFFFAOYSA-N 322.386 1.598 0 40 DDAB CC(C)CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1 5907593 XHPBGKMMWNQFBK-UHFFFAOYSA-N 301.437 1.667 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)N1CCCCCC1)C2 90168903 PSOCGQDETQQYMY-CYBMUJFWSA-N 312.439 1.217 0 40 DDAB O=C(NC1CCOCC1)[C@H]1CCCN1C(=O)Cc1ccccc1 67493512 WXLPJJSLMFEQDI-MRXNPFEDSA-N 316.401 1.515 0 40 DDAB Cn1cc(N2CCN(C[C@@H](O)CCc3ccccc3)CC2)cn1 96013744 VJHNCXXROWJJOG-SFHVURJKSA-N 314.433 1.536 0 40 DDAB O=C([C@@H]1CCC(=O)N1Cc1cccs1)N1CCSCC1 72239784 WBVPOZHHZNGZSP-LBPRGKRZSA-N 310.444 1.815 0 40 DDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 7787313 SCERGBSAVUEQFJ-UHFFFAOYSA-N 321.782 1.743 0 40 DDAB CC(C)CCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 67125811 YVTTZQWFWLOADF-MBNYWOFBSA-N 313.467 1.875 0 40 DDAB O=C(NC1CC1)c1cccc(S(=O)(=O)NCc2ccco2)c1 8324515 LYHSIWRGESOFAC-UHFFFAOYSA-N 320.370 1.650 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3nnc(C(C)C)o3)CCO2)c1 69420691 KJJBNKDXCORYSF-CYBMUJFWSA-N 305.382 1.599 0 40 DDAB CCCc1noc(CN[C@@H]2CCCN(Cc3noc(C)n3)C2)n1 69652263 JXCBNCZTKLTNLP-GFCCVEGCSA-N 320.397 1.468 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H](n2ccnc2)C1 69626751 XYXOSDFRWYDCQJ-HOTGVXAUSA-N 318.421 1.838 0 40 DDAB COCCN1CCN(Cc2nc(-c3cccnc3)no2)C[C@H]1C 69706769 UTEIHDMYZJOXRE-CYBMUJFWSA-N 317.393 1.284 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)S(=O)(=O)c1ccccc1F 96453028 IHALTHZBRDVURE-UHFFFAOYSA-N 324.381 1.652 0 40 DDAB CC(=O)NCc1ccc(-c2nc(Cc3noc(C)n3)no2)cc1 71890297 QUNLGXVYCMIAQW-UHFFFAOYSA-N 313.317 1.655 0 40 DDAB Cc1noc(Cl)c1CCC(=O)N[C@@H](C(N)=O)c1ccccc1 71841307 UOONDVBWZGPESE-CYBMUJFWSA-N 321.764 1.912 0 40 DDAB CN(C)S(=O)(=O)CCCN1CCCC[C@H]1Cn1cccn1 71875328 TXOCBGRYALGNBF-AWEZNQCLSA-N 314.455 1.019 0 40 DDAB C[C@H]1CN(C(=O)CCNCc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 71837074 QDABGNOQXWCTKV-BETUJISGSA-N 322.453 1.823 0 40 DDAB CC(C)c1nc(CS(=O)(=O)Cc2noc(C3CC3)n2)no1 71825153 BORVQZDWQIDDKR-UHFFFAOYSA-N 312.351 1.568 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)c1ccc(NC3CC3)nc1)C2 71860165 LEQHXWNYRYXONS-UHFFFAOYSA-N 324.388 1.686 0 40 DDAB CCN1C[C@H](CN(C)C(=O)[C@@H]2CCC(=O)N2)Oc2ccccc21 72854223 GWWXHEWTEFSMNX-STQMWFEESA-N 317.389 1.011 0 40 DDAB CN(C(=O)[C@H]1CCCCN1S(C)(=O)=O)C1CCCCCC1 95349252 JERMZJLHFWBDHK-CQSZACIVSA-N 316.467 1.982 0 40 DDAB Cc1ccc(NS(=O)(=O)CCNc2ncccn2)cc1F 95394308 JCEZTBHBUAKAMS-UHFFFAOYSA-N 310.354 1.778 0 40 DDAB CC(=O)N1CCCN([C@@H]2CN(Cc3cc(C)no3)C[C@H]2C)CC1 95402440 JNMVKYLGDSKNJC-CXAGYDPISA-N 320.437 1.358 0 40 DDAB C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12 95413308 RKVHBVBPLKIXLJ-MNOVXSKESA-N 315.333 1.956 0 40 DDAB CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C(N)=O)C(C)C)c1 95467059 JXTNEAJQVXCEAB-CYBMUJFWSA-N 306.366 1.585 0 40 DDAB CCCCn1nc(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)ccc1=O 78895759 JXYQOZFVYIBLSG-JSGCOSHPSA-N 306.410 1.066 0 40 DDAB Cc1cc(C)c(C(=O)NCCN2C(=O)CCCC2=O)c(C)c1 89236538 HPYTXXBNTRVMGP-UHFFFAOYSA-N 302.374 1.881 0 40 DDAB CCc1noc(CN(C)[C@H](C)C(=O)NCCc2cccs2)n1 75138988 UHQCPPMCXXTCSL-LLVKDONJSA-N 322.434 1.873 0 40 DDAB COCCn1c(C(=O)NC[C@@H](C)C(=O)O)cc2ccccc21 89901203 JGLXPABZVAEERV-LLVKDONJSA-N 304.346 1.738 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccnc(N(C)C)c1 89904402 UHBRFDQFXMEZGF-GFCCVEGCSA-N 302.382 1.232 0 40 DDAB C[C@@H]1CC(C)(C)C[C@@](CO)(NCCCS(=O)(=O)N(C)C)C1 89920170 QMUSPZADJJQRRG-HIFRSBDPSA-N 320.499 1.435 0 40 DDAB CNC(=O)c1nc([C@H]2CCCN2c2ncccn2)n2ccccc12 306135172 OJTAHGBHMJUZFK-CYBMUJFWSA-N 322.372 1.825 0 40 DDAB CC(=O)N1C[C@@H]2[C@@H](C1)c1nc(N(C)C)ncc1CN2CC1CC1 306123324 AKCHKVVHSBKJNA-HUUCEWRRSA-N 315.421 1.083 0 40 DDAB O=C(Nc1cnc(N2CCOCC2)nc1)c1ccccc1F 65225014 JEOUFOZDBXAEDE-UHFFFAOYSA-N 302.309 1.705 0 40 DDAB Cc1cccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)c1 32508759 MAHYFZWANIYXQS-CHWSQXEVSA-N 310.444 1.695 0 40 DDAB C[C@@H]1CN2CCC[C@H]2CN1CC(C)(C)CN1CCN(C)CC1 72324697 JYFPATKCZICVIM-SJORKVTESA-N 308.514 1.429 0 40 DDAB CN(C)C(=O)c1ccc(CN2CCC[C@@H]2Cn2ccnc2)[nH]1 188407750 VIPASHIODDXLKK-CQSZACIVSA-N 301.394 1.578 0 40 DDAB CC(=O)N1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216616 OYZQVCOLQPACDJ-MRXNPFEDSA-N 302.422 1.907 0 40 DDAB O=C(O)COc1ccc(S(=O)(=O)C(F)F)cc1Cl 218304820 VYYPTJYIINSFAX-UHFFFAOYSA-N 300.666 1.800 0 40 DDAB CC(C)(C)OC(=O)NCCc1cn(Cc2cscn2)nn1 36719729 BWELGKPMMFZVEZ-UHFFFAOYSA-N 309.395 1.850 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCCC2)[C@H]1c1cccc(F)c1 72241810 JYXRXORGXWWUDX-CVEARBPZSA-N 320.364 1.737 0 40 DDAB CCOC(=O)c1cc(N)ccc1Sc1nnc(CC)n1N 70462459 PYVKXRCZLPHPPL-UHFFFAOYSA-N 307.379 1.464 0 40 DDAB COCC(=O)N1CCC(NC(=O)c2cccc(N(C)C)c2)CC1 79028556 XRDMGTSKVLVFLR-UHFFFAOYSA-N 319.405 1.120 0 40 DDAB CCOCCC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 76792047 GPLPJVFYYFWWFC-UHFFFAOYSA-N 311.403 1.796 0 40 DDAB Cc1cc(CNC(=O)COc2ccccc2)nc(N(C)C)n1 189935439 FANKGHPICHLSEB-UHFFFAOYSA-N 300.362 1.546 0 40 DDAB Cc1cc(I)cn2cc(C(=O)O)nc12 44676180 KARXPPYIHLCQEW-UHFFFAOYSA-N 302.071 1.946 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C=O)o2)cc1 49467175 UFACPXKKKINNSL-UHFFFAOYSA-N 309.343 1.921 0 40 DDAB CCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 227168243 FXMUWEMYUJTRQZ-JTQLQIEISA-N 324.402 1.827 0 40 DDAB CCc1cncc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1 573331346 WNDVDHYLXZUGSY-GFCCVEGCSA-N 300.366 1.162 0 40 DDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccccc1F)C2 96108404 KVCKFBDHMVDHEV-PBHICJAKSA-N 322.380 1.037 0 40 DDAB Cc1cccn(CC(=O)N(C)CCOc2ccccc2F)c1=O 96428877 DGNIFBXOKXWGBS-UHFFFAOYSA-N 318.348 1.833 0 40 DDAB CCn1ncc2c1[C@@H](COC)CN(C(=O)c1cscn1)C2 96044726 UEVXXYPOCVJCSX-LLVKDONJSA-N 306.391 1.746 0 40 DDAB O=C(c1ccc(F)cc1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96182387 NZTCXHZUHJIROB-OKILXGFUSA-N 312.348 1.824 0 40 DDAB O=C([C@H]1CN(Cc2cccnc2)C[C@H]2OCC[C@H]21)N1CCCO1 96041196 MNIMRTXGDFPJQO-HRCADAONSA-N 317.389 1.082 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)C4CCOCC4)CC[C@@H]3O2)n1 96070553 GTIQSRFEXLLGOV-MELADBBJSA-N 321.377 1.483 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96066284 OLYKABWJGJVOKV-IMJJTQAJSA-N 304.390 1.928 0 40 DDAB O=C(NC[C@@H](CO)Cc1ccccn1)[C@H]1COc2ccccc21 96454747 PBTPHKWUOKONNL-BBRMVZONSA-N 312.369 1.525 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)c1ccc(F)cc1)CC2 96187681 QZKSIJHAIVSQBQ-UHFFFAOYSA-N 314.364 1.923 0 40 DDAB CN(C)CCNC(=O)c1cc2c(=O)n3ccccc3nc2s1 96347269 CVJBKXHZWIFLSB-UHFFFAOYSA-N 316.386 1.201 0 40 DDAB CCOc1ccc(NC(=O)CNC(=O)c2ccn(C)n2)cc1 96192343 ZCDZZSPURYOMSG-UHFFFAOYSA-N 302.334 1.187 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(CCCN(c3ccc(C)nn3)C2)C1 96217146 ZBMSEDJSUCMMIY-OAHLLOKOSA-N 324.450 1.427 0 40 DDAB Cc1ccc(N2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)nn1 96239139 ZJLSUYQTJWATFD-KRWDZBQOSA-N 309.373 1.813 0 40 DDAB CC(C)CN1C(=O)CCC12CCN(C(=O)c1ccnnc1)CC2 96228033 XJEGKFKSWHXRRS-UHFFFAOYSA-N 316.405 1.730 0 40 DDAB Fc1cccnc1OC[C@H]1CCOC12CN(C1CCOCC1)C2 247501904 FRUKSLGZZRBVKS-CYBMUJFWSA-N 322.380 1.869 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCO[C@H](c2cnccn2)C1 257308087 TVIYEOVUTDBHEP-AWEZNQCLSA-N 305.284 1.969 0 40 DDAB CN(CC(=O)N1CCCC[C@@H]1c1ccn[nH]1)Cc1cccnc1 257306476 SUKPUSBONJPMPR-MRXNPFEDSA-N 313.405 1.990 0 40 DDAB COCCN1CC[C@@H](c2nc(O)cc(-c3cccnc3)n2)C1 257261536 LHTTZQIGKJWZDG-CYBMUJFWSA-N 300.362 1.680 0 40 DDAB O=C(c1cncnc1)N1CCC(c2ccnc3ccnn23)CC1 257336015 YMUUYTSURMONET-UHFFFAOYSA-N 308.345 1.539 0 40 DDAB O=C1CN([C@H]2Cc3ccccc3[C@H]2O)CCN1CC(F)(F)F 253417472 BBSBRHHBEGZYPN-GXTWGEPZSA-N 314.307 1.351 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1 257286320 PLDBHNFADFYHHV-CQSZACIVSA-N 306.410 1.402 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)Cn1ccnc1C 257299394 RPXFBQHCBCYUGK-HNNXBMFYSA-N 314.389 1.373 0 40 DDAB CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2cnn(C)c2)s1 257283923 PAMIRKNBFDZKLC-SNVBAGLBSA-N 319.390 1.214 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc2[nH]ccc12 257223043 DVQPXPWFHSHDSO-GOSISDBHSA-N 321.384 1.935 0 40 DDAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1ncccn1)CC2 253383880 MWLDQWLYPQUFJS-CQSZACIVSA-N 319.405 1.915 0 40 DDAB C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(OCC(=O)O)cc1 263073472 PHZOCOKECKDEGQ-JUDXGUMMSA-N 319.357 1.895 0 40 DDAB CC(C)c1ccc(CN2[C@@H](C(C)C)[C@H](O)[C@H](O)[C@H]2CO)cc1 585294817 KOEHUFGBRGGPLN-XDNAFOTISA-N 307.434 1.733 0 40 DDAB Cn1cnc(CN2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)c1 585278928 JCUHLBDGIRWWNK-PBHICJAKSA-N 303.381 1.985 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2cccc(F)c2)no1 585267339 ZSCJZLGPYAKENJ-UXIGCNINSA-N 320.320 1.485 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)[nH]n1 585279291 XTOXTOSKECHOIG-MRXNPFEDSA-N 320.393 1.044 0 40 DDAB O=C(CCN1CCSC1=O)NCc1ccc2c(c1)OCCO2 44873924 WPUJBLTYCIRYNT-UHFFFAOYSA-N 322.386 1.633 0 40 DDAB O=C([C@@H]1CCCN1CCc1ccncc1)N1CCSCC1 67118115 SMXCJKDBKUMMSH-HNNXBMFYSA-N 305.447 1.664 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2nccs2)n1 69699802 SNKPQVMTYNXRKB-GFCCVEGCSA-N 320.422 1.455 0 40 DDAB CCO[C@H](CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69973860 MLPORWJMUNABPC-DLBZAZTESA-N 320.433 1.679 0 40 DDAB Cc1cc2ncn(C[C@H](O)CN3C(=O)C[C@@H](C)C3=O)c2cc1C 72312488 GZRQXHHARSAGGN-OLZOCXBDSA-N 315.373 1.409 0 40 DDAB NS(=O)(=O)CC1CCN(c2ncnc3ccc(F)cc23)CC1 75051015 KTXJMHLNERQMSG-UHFFFAOYSA-N 324.381 1.274 0 40 DDAB CC(C)c1nnc(C2CCN(C(=O)c3cn(C)nn3)CC2)o1 85470691 KWQZJGYHXOZHCK-UHFFFAOYSA-N 304.354 1.341 0 40 DDAB COc1cc(CN2CCN(C[C@H](O)C3CC3)CC2)cc(OC)c1 85436867 YWNIXYFMCHYQBC-SFHVURJKSA-N 320.433 1.592 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccsc2)CC1 37495344 CIICFEDCUZCVRM-UHFFFAOYSA-N 303.387 1.394 0 40 DDAB CON(C)C(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 1772715128 DUFOXDZMCDWXAT-UHFFFAOYSA-N 304.346 1.962 0 40 DDAB O=C1NC2(CCN(C(=O)C(F)(F)F)CC2)Oc2ccccc21 12185677 JQJYLAGLMJPKIM-UHFFFAOYSA-N 314.263 1.690 0 40 DDAB CC(C)CNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233456 BQHOEUOMRGVEDC-UHFFFAOYSA-N 313.361 1.176 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1nccs1 14031793 ARMMDTXUUIPMNK-MRVPVSSYSA-N 308.388 1.684 0 40 DDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 14076666 YNPWKAYYJCEHQS-JTQLQIEISA-N 302.371 1.361 0 40 DDAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)OC)c2ccccc12 14136050 XFHSNQPHBVTKGB-UHFFFAOYSA-N 316.357 1.865 0 40 DDAB CCn1c(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)nc2ccccc21 19524296 UQLRBKNISHGGBT-RRFJBIMHSA-N 314.433 1.696 0 40 DDAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H](Cn2cnnn2)CC1 169680728 PBIWYSJSBSOPCW-AALSBFMBSA-N 315.421 1.808 0 40 DDAB O=C(c1ccc(C(F)(F)F)cc1)N1C[C@H]2C[C@H]1CS2(=O)=O 575608913 WKKXXMIBTJWIJM-WDEREUQCSA-N 319.304 1.717 0 40 DDAB CCCCn1nc(C(=O)Nc2ccc(OC)nc2)ccc1=O 28644224 WJHWLQYEHFMUDF-UHFFFAOYSA-N 302.334 1.699 0 40 DDAB C[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)n1cccn1 30568136 WQOKIHKJFKIXLX-CYBMUJFWSA-N 312.373 1.887 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)c1cc2c(C)nn(C)c2s1 35178437 CXFDQUIPERJENG-SNVBAGLBSA-N 307.375 1.721 0 40 DDAB Cc1cc(S(=O)(=O)NCC[C@H](C)N)ccc1OC(C)C 63171273 HUTHEHXVXLRUPZ-LBPRGKRZSA-N 300.424 1.798 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@]1(C(=O)O)CCOC1 85855106 CIAVENRRIKOMNV-LBPRGKRZSA-N 319.766 1.170 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@]12CCN(C(=O)C1CC(F)(F)C1)C2 1565543438 CZRFCXNTPSMDAB-DOMZBBRYSA-N 312.360 1.939 0 40 DDAB C[C@@H]1CN(c2ncnc3cnccc23)CCN1Cc1cnn(C)c1 2298050237 GBFKKJQNQUTVFL-CYBMUJFWSA-N 323.404 1.469 0 40 DDAB NC(=O)COc1cccc(C(=O)N2CCc3sccc3C2)c1 30625832 IAVNOMZRMJRFON-UHFFFAOYSA-N 316.382 1.811 0 40 DDAB O=c1c2ccccc2nnn1C[C@H](O)COCc1ccccc1 40477410 DEXMPAJJASPKJH-AWEZNQCLSA-N 311.341 1.369 0 40 DDAB O=C(Cn1cnc2ccsc2c1=O)c1ccc(O)cc1O 31788275 XUCWLDWXTLYMGB-UHFFFAOYSA-N 302.311 1.752 0 40 DDAB CC(C)C(=O)NC1CCN(Cc2nnsc2Cl)CC1 40540191 IJCQMZQKAJISQW-UHFFFAOYSA-N 302.831 1.928 0 40 DDAB Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 267493 AAWOKTGNZABRTQ-AWEZNQCLSA-N 320.370 1.243 0 40 DDAB CC(C)(CO)C1N2CC3(C)CN1CC(c1ccccc1)(C2)[C@@H]3O 32124393 XJQMIFWZLDUIFH-GMAZCVHMSA-N 316.445 1.281 0 40 DDAB biogenic O=S(=O)(NC[C@H]1COc2ccccc2O1)c1ccccc1 157834 XJAZFJJFMDXYGF-LBPRGKRZSA-N 305.355 1.805 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 69899260 XMAUALICHBBIGK-GJZGRUSLSA-N 313.405 1.818 0 40 DDAB CCOc1ccccc1-n1nnnc1S[C@@H]1C[C@H](C)OC1=O 32736398 YOZFIACTNIUADQ-JOYOIKCWSA-N 320.374 1.857 0 40 DDAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(NC(=O)c1ccccc1O)C2=O 3098066 WCNSSBRGCNUNTP-DIFFPNOSSA-N 316.357 1.848 0 40 DDAB C[C@H](O)CNc1nc(NCc2ccccc2)c2cnn(C)c2n1 4374966 MHGVMJMVFPPOJS-NSHDSACASA-N 312.377 1.768 0 40 DDAB CCN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 4991616 BLJXVPJWSDAMFS-UHFFFAOYSA-N 301.390 1.591 0 40 DDAB CCCCCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 6597422 KYXJACXWXBTUCZ-UHFFFAOYSA-N 321.421 1.872 0 40 DDAB CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7459129 JAIZNTWXCIWOSZ-UHFFFAOYSA-N 305.309 1.520 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 7689579 JYBBPFASEHZIBY-NSHDSACASA-N 306.387 1.643 0 40 DDAB O=C(c1cccc(-n2cccn2)n1)N1CCC(N2CC=CC2)CC1 102696162 MSQYAZXXZMNQTR-UHFFFAOYSA-N 323.400 1.744 0 40 DDAB O=CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 497171 SXCSEHLADZXDQH-UHFFFAOYSA-N 302.403 1.849 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1Cn1cccn1 69974172 DLKSUOHNPBNGCJ-CZUORRHYSA-N 313.357 1.714 0 40 DDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccn2)cc1 10343647 LCACIJJQTVFNPL-UHFFFAOYSA-N 319.386 1.697 0 40 DDAB CS[C@@H]1CCC[C@H]1N(C)C(=O)NCc1nnc2n1CCC2 83855599 FSPPLDBGXQNQRQ-GHMZBOCLSA-N 309.439 1.650 0 40 DDAB CCOc1c(OC)cccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 101675155 KKJANBPEEYXEMY-JTQLQIEISA-N 317.305 1.064 0 40 DDAB COc1ccc(C=O)cc1CN1C(=O)N[C@@]2(CCSC2)C1=O 47203519 LWWCBNUXJKVXPJ-OAHLLOKOSA-N 320.370 1.435 0 40 DDAB CCC(=O)N(c1nnc(S[C@@H]2CCOC2=O)s1)C1CC1 9513406 WPQJWQWLUQLKDB-MRVPVSSYSA-N 313.404 1.851 0 40 DDAB CCS(=O)(=O)NCc1cccc(C(=O)N2CCCCC2)c1 53646940 NHJBSRFYBHBBAL-UHFFFAOYSA-N 310.419 1.752 0 40 DDAB COc1ccc(OCC(=O)N(CC(N)=O)C2CCCC2)cc1 47236252 CCWHUKBKCFAEGT-UHFFFAOYSA-N 306.362 1.331 0 40 DDAB Cc1ccc(-c2nc(C(=O)N3CC[C@@H](C(N)=O)C3)cs2)o1 53894657 DZDXZTQRSZQYLL-SECBINFHSA-N 305.359 1.659 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1 101575884 NHEDAEKECCCNGE-JDEPPNLYSA-N 322.364 1.678 0 40 DDAB CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O 71908339 NFYKMYGYGGSFRD-CABZTGNLSA-N 302.371 1.145 0 40 DDAB Cc1cccc(N(C)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 54289296 REYBYPURAXSPRV-AWEZNQCLSA-N 324.446 1.385 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107263838 WTBRVGDFKNIPMQ-HRCADAONSA-N 301.390 1.340 0 40 DDAB CCOC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1 24052852 LMEYNVBNYMUONG-UHFFFAOYSA-N 313.361 1.375 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1F 42985882 NPKGLYMJJOTCLB-JTQLQIEISA-N 300.355 1.020 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940970 GNCYSIVOIVRWQB-WDEREUQCSA-N 316.398 1.895 0 40 DDAB NC(=O)c1cc(NC(=O)CCNC(=O)c2ccoc2)ccc1F 25145500 RZJWYJBCFKZGOI-UHFFFAOYSA-N 319.292 1.276 0 40 DDAB COCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 3224623 WXTWQMZYHVULTI-UHFFFAOYSA-N 306.343 1.938 0 40 DDAB CN(CC(=O)N1CCCCCCC1)c1ncnc2[nH]cnc12 56319627 YECYWBFOJWFATP-UHFFFAOYSA-N 302.382 1.582 0 40 DDAB CNC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 43739154 LZUHSRWMENPSSS-UHFFFAOYSA-N 324.344 1.353 0 40 DDAB COC[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2ccccc23)CCO1 107584833 PIXMJBOEBUQEEW-LESCRADOSA-N 301.386 1.764 0 40 DDAB CC(C)(NC(=O)COc1cc(Cl)ccc1Cl)C(N)=O 57050531 KYLRVPDUZPWFAN-UHFFFAOYSA-N 305.161 1.752 0 40 DDAB CC[C@H]1CN(CCC(=O)NC2CCCC2)CCN1C[C@@H](C)O 78766599 GBFCJQYMCAKNTJ-ZBFHGGJFSA-N 311.470 1.212 0 40 DDAB CCC(CC)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 26815865 BNJWEKRNDTVTNS-UHFFFAOYSA-N 320.436 1.143 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1F 27939760 IOAIRDUNLVIPDO-MRVPVSSYSA-N 307.343 1.156 0 40 DDAB CCCN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 58418257 HLTNBHDUUZUEGI-UHFFFAOYSA-N 315.395 1.742 0 40 DDAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(S(N)(=O)=O)c1 12777756 RKYUDMPOBAOLAN-VXGBXAGGSA-N 308.403 1.868 0 40 DDAB CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1 45292934 UYBDQOLDLCXNJT-GFCCVEGCSA-N 310.419 1.857 0 40 DDAB O=C(COc1ccc(Br)cc1)NCc1nc[nH]n1 37920876 LBMFJZAWWXOBQJ-UHFFFAOYSA-N 311.139 1.262 0 40 DDAB COCCN1C[C@H](C(=O)NCc2cc3ccccc3o2)CC1=O 48362009 PVVNLEICDDUEJB-CYBMUJFWSA-N 316.357 1.544 0 40 DDAB COC(=O)c1ccc2c(O)nc(CN(C)CC3CC3)nc2c1 48367269 ZEHUHWCNDCAFDB-UHFFFAOYSA-N 301.346 1.964 0 40 DDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1ccoc1 45783854 USLQTRJVABOOTG-UHFFFAOYSA-N 300.314 1.860 0 40 DDAB CNC(=O)C1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 29165797 VLDNTIRKUCBXFJ-AWEZNQCLSA-N 317.433 1.458 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccnc1 12980096 VHJOKZTUPQOVID-CQSZACIVSA-N 317.414 1.946 0 40 DDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCc1ccccn1 8993167 XANDZWPZFPGENY-UHFFFAOYSA-N 317.740 1.130 0 40 DDAB COCCn1cc(NC(=O)NC[C@@H](O)c2ccccc2F)cn1 65412403 BBCDGKGKWNQTDP-CQSZACIVSA-N 322.340 1.524 0 40 DDAB C[C@H](NC(=O)N1CCC[C@@H](N2CCCC2)C1)c1nncn1C 65437150 KIRQDNRTXVERLI-QWHCGFSZSA-N 306.414 1.146 0 40 DDAB NC(=O)CCCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 92979667 DSDRSNDDYXYKLU-UHFFFAOYSA-N 304.325 1.601 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1 65576238 XEAMFSROMWJWCN-UKRRQHHQSA-N 308.447 1.928 0 40 DDAB CCN(CC(=O)N(C)C)C[C@H](O)COc1ccc(Cl)cc1 65605659 CSXXNPBIRJGKNX-ZDUSSCGKSA-N 314.813 1.490 0 40 DDAB C[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@H](C)O1 9112388 AFFQKASEEJAJFC-QWRGUYRKSA-N 301.346 1.183 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 6543330 GMKUQASTSGQFRK-CQSZACIVSA-N 312.435 1.776 0 40 DDAB COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409381640 IDIOINGPZHNUIN-LMOYCYGVSA-N 303.314 1.678 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 71870686 ITXPMMUCEUIOER-LBPRGKRZSA-N 322.434 1.142 0 40 DDAB Cc1n[nH]cc1CNCc1ccc(N2CCO[C@@H](C)C2)nc1 71819597 VSXJKGIFISEDKY-LBPRGKRZSA-N 301.394 1.628 0 40 DDAB CCO[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 71825553 WITXGPUEXKKAJU-GFCCVEGCSA-N 304.346 1.622 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2cccnc2)n1 71876123 RTBYLFRUWMTOPS-INIZCTEOSA-N 313.405 1.998 0 40 DDAB CCOc1ccc(CNCCCSc2nnnn2C)cc1 4993806 YEXOXYOLAUWURN-UHFFFAOYSA-N 307.423 1.881 0 40 DDAB CCOC(=O)C1CCN(C[C@H](O)COCc2ccccc2)CC1 6940313 DEHQHCLVODCJNO-KRWDZBQOSA-N 321.417 1.839 0 40 DDAB CC[C@H]1CN(C(=O)COc2cccc(-n3ccnc3)c2)CCO1 81182137 VNISBLBWALNZSL-HNNXBMFYSA-N 315.373 1.889 0 40 DDAB C[C@]1(c2ccccc2)CCCN(C(=O)CCNS(C)(=O)=O)C1 91381414 HPPMWUSUTJUTLV-INIZCTEOSA-N 324.446 1.506 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2F)c1 8288496 VWKJWRXFDIROAM-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8247583 IKDZKBTWZIFBHO-GFCCVEGCSA-N 306.362 1.201 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F 171723467 AQVNAVXQESPGFB-NSHDSACASA-N 300.280 1.724 0 40 DDAB Cc1cc(N2CCCC[C@H]2Cn2nc(C)nc2C)nc(N)n1 69621434 LGZDPSJDBIBZKT-ZDUSSCGKSA-N 301.398 1.635 0 40 DDAB COC(=O)CNC(=O)CCN1CCC[C@H]1c1ccc(C)cc1 69669512 QEWXNMQXNXZODQ-HNNXBMFYSA-N 304.390 1.811 0 40 DDAB NC(=O)COC(=O)c1cnn(-c2cccc(Br)c2)c1 69738214 CCKXUBBBUUAZOU-UHFFFAOYSA-N 324.134 1.277 0 40 DDAB CNC(=O)CCNC(=O)CCNc1cc(Cl)ccc1OC 69737667 AFWYXZSFCIUVNX-UHFFFAOYSA-N 313.785 1.403 0 40 DDAB Cc1csc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 72298800 WNCZMQXWGZRBCS-LBPRGKRZSA-N 307.419 1.780 0 40 DDAB CN(CCNC(=O)N1CCC[C@H](CO)C1)C(=O)OC(C)(C)C 72274329 GXRVUEHYBZKFCG-LBPRGKRZSA-N 315.414 1.267 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 72267949 QARSHDHZHWJSAH-MELADBBJSA-N 323.441 1.101 0 40 DDAB CCN(CCO)C(=O)CCNC(=O)c1ccc2ccccc2c1 97178984 IJZYLGTWAQNATJ-UHFFFAOYSA-N 314.385 1.801 0 40 DDAB O=C(NCCn1ccc2ccccc21)c1ccc2nnnn2c1 79495570 WKRFNUPPTRHDQK-UHFFFAOYSA-N 306.329 1.509 0 40 DDAB CC[C@@H]1CN(C(=O)c2c[nH]c(C(C)C)n2)C[C@@H]1N1CCOCC1 84735994 NLXWIKVYGPAFGK-HIFRSBDPSA-N 320.437 1.716 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95432785 XTINIKROTBJOIB-ZWNOBZJWSA-N 305.403 1.759 0 40 DDAB CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(NC(=O)OC)c1 95451784 WMMMZEOJMBJTPJ-STQMWFEESA-N 319.361 1.509 0 40 DDAB Cc1nc(-c2ccc(CCNS(N)(=O)=O)s2)cs1 74039434 XAAQKAHTXXFNBR-UHFFFAOYSA-N 303.434 1.516 0 40 DDAB CCCN(C)S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O 95941958 GRIWKZQRNSAYQM-QWHCGFSZSA-N 318.439 1.033 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccccc2)C1 74216946 HOMYPPWHZKMXHD-ZFWWWQNUSA-N 323.414 1.411 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@@H]2CCOC2)C1 89364892 HIGLZXFKJNPDRK-GXTWGEPZSA-N 306.410 1.490 0 40 DDAB C[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1cccs1 89901009 MMLNMYWAHPJCDY-QWRGUYRKSA-N 316.448 1.728 0 40 DDAB Cc1c(S(=O)(=O)NC[C@H](C)C(=O)O)oc2ccc(F)cc12 547545719 HQUYRUUKOQGHBE-ZETCQYMHSA-N 315.322 1.879 0 40 DDAB O=C(COC1CCCC1)N1C[C@H]2OC[C@@H](CN3CCCC3)[C@H]2C1 306132369 LGUATFZPNWDYKE-DJIMGWMZSA-N 322.449 1.515 0 40 DDAB CCCN1C[C@@H](CNC(=O)c2ccc3c(c2)N(C)CC3)CC1=O 517120660 YUSPMMXPXBEFKV-CYBMUJFWSA-N 315.417 1.667 0 40 DDAB Nc1nc(N2CCCC2)ncc1S(=O)(=O)c1ccccc1 71771806 BGZQSJRJJSRYDF-UHFFFAOYSA-N 304.375 1.492 0 40 DDAB O=C(c1cccnc1)C1CCN(C(=O)CN2CCCC2=O)CC1 72346671 GNLAWJCCXUFYBL-UHFFFAOYSA-N 315.373 1.125 0 40 DDAB CN(CCN)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391754 ANTBFOSLLIAABV-INIZCTEOSA-N 305.422 1.926 0 40 DDAB COC(=O)c1cc(C)ccc1OC(=O)c1ccc(C)[nH]c1=O 78442904 AUSCFVPAADUDRA-UHFFFAOYSA-N 301.298 1.998 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)C(C)C 32931190 ZFAVOSZLKDRIPZ-CJNGLKHVSA-N 305.422 1.788 0 40 DDAB Cc1nc([C@H]2CCN2c2ncccn2)cc(N2CCOCC2)n1 72387462 YNYCOSCUEFEDLO-CQSZACIVSA-N 312.377 1.363 0 40 DDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccoc1 44972577 BQXRUEBTXONLNI-GFCCVEGCSA-N 300.380 1.214 0 40 DDAB Cc1ncc(Cl)c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 564387966 QYCMQYFANFGVSM-UHFFFAOYSA-N 315.724 1.871 0 40 DDAB Cc1cc(C(=O)N=c2[nH]nc3n2CCCC3)nn1[C@@H](C)C1CC1 329344932 QSQJMYVIWJZTRN-NSHDSACASA-N 314.393 1.765 0 40 DDAB Cc1cn(-c2ccccc2)nc1C(=O)NC1CCS(=O)CC1 332640640 HOGWLLOIVHBKBP-UHFFFAOYSA-N 317.414 1.822 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@H]1c1ccc(F)cc1 96181814 IHXXNZRWLFINRS-CABCVRRESA-N 306.337 1.346 0 40 DDAB O=C(c1ccnnc1)N1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 96224214 DWQMNIMTCMPBSO-QGZVFWFLSA-N 314.389 1.341 0 40 DDAB Cn1cc(CN2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccco2)cn1 96252441 YUYHZLIXXWSTCP-OKILXGFUSA-N 300.362 1.502 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@H]2C1 96040981 DYUGIRMMEJDMRT-AVGNSLFASA-N 309.435 1.519 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cn1 96220003 OJVVKMLMUCDLDX-WMLDXEAASA-N 317.389 1.585 0 40 DDAB COCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@H]2C 96109571 LSVGIBWLWXIAFX-NSHDSACASA-N 322.390 1.190 0 40 DDAB OCCn1ncc2c(N3CC[C@H]4CCCC[C@@H]4C3)ncnc21 97200305 DMUCLOSQNVLPSE-CHWSQXEVSA-N 301.394 1.835 0 40 DDAB Nc1nccnc1[C@@H]1CN(CCOc2ccccc2)CCO1 257269517 MQIGSDWLIFUHAA-AWEZNQCLSA-N 300.362 1.511 0 40 DDAB CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 252498377 RASAAPDECPFTHQ-UHFFFAOYSA-N 322.372 1.945 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 257307113 SXHCAHZYBDDWJO-UONOGXRCSA-N 304.394 1.133 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2ncc[nH]2)n1 257331509 XTDPIUCGMUBCFR-ZDUSSCGKSA-N 300.366 1.173 0 40 DDAB COc1ccc(/C=C/C(=O)Nc2cc(-n3cncn3)ncn2)cc1 96025238 QCXSLDSJHNAEGH-QPJJXVBHSA-N 322.328 1.718 0 40 DDAB O=C(NCCN1C(=O)c2cccnc2C1=O)Oc1ccccc1 390832120 XKEURGVWFPFWDR-UHFFFAOYSA-N 311.297 1.466 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cn[nH]c1 585288314 UYNSYBCPNLGEKI-BLLLJJGKSA-N 320.393 1.088 0 40 DDAB Cc1cc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)n(C)n1 44945016 HPHNZMQDGWBEJP-JTQLQIEISA-N 304.398 2.000 0 40 DDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2[nH]cnc2c1 159046789 JQVVQAWKOSPBSD-CYBMUJFWSA-N 307.357 1.967 0 40 DDAB CS(=O)(=O)CCCNC(=O)CCOc1cccc(Cl)c1 48952548 GPKOFRBWQCYPOK-UHFFFAOYSA-N 319.810 1.660 0 40 DDAB CCOC[C@H](CCn1cnc2cnc(N)nc21)COC(C)=O 936068988 GEKPJDOQJOHQDN-NSHDSACASA-N 307.354 1.014 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 57217004 GMHFNTMBLNTATM-LBPRGKRZSA-N 320.364 1.208 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 69771694 HGCUGXDLHBKWSH-HNNXBMFYSA-N 320.458 1.619 0 40 DDAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nnn[nH]1 75127163 WKRVLCAOVXTNLB-UHFFFAOYSA-N 320.259 1.704 0 40 DDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc2c(c1)CCO2 97013410 UZUHBNBZVBVLQS-GFCCVEGCSA-N 320.374 1.026 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1 888106875 ALLTVZMJLDZDCA-UHFFFAOYSA-N 320.418 1.821 0 40 DDAB CSc1nnc([C@H]2CCCN2C(=O)N2CCOCC2)n1C 5001562 IWHIKGIMTUOEPH-SNVBAGLBSA-N 311.411 1.126 0 40 DDAB C[C@H](O)CNC(=O)CSc1nccc(-c2ccccc2)n1 5527845 HYSVRNGWCAKKEB-NSHDSACASA-N 303.387 1.733 0 40 DDAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1cccs1 7847084 USOPHFUWKZWBAH-UHFFFAOYSA-N 309.416 1.979 0 40 DDAB c1ccc(Cc2nccc(N3CCC[C@@H](c4nnn[nH]4)C3)n2)cc1 161014957 FHIRTSQFOSPTLH-CQSZACIVSA-N 321.388 1.965 0 40 DDAB Cc1ccccc1C(=O)NC(=S)N1CCC(C(N)=O)CC1 226350250 VNDNLLRCNUOFOY-UHFFFAOYSA-N 305.403 1.207 0 40 DDAB O=C(NC1CCCC1)C(=O)N1CCN(c2ccccc2F)CC1 10325553 AOKROIDVQZDOBG-UHFFFAOYSA-N 319.380 1.533 0 40 DDAB CCC(=O)N1CCN(Cc2nnnn2-c2ccc(C)cc2)CC1 23232771 RULGLXZOGRHVSD-UHFFFAOYSA-N 314.393 1.025 0 40 DDAB O=C(O)Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O 1888930616 DDOFWGLOGHKVEF-UHFFFAOYSA-N 322.118 1.725 0 40 DDAB COCCCN[C@@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1O 36739952 ANAKEUWYVHDRGO-IAGOWNOFSA-N 308.422 1.257 0 40 DDAB Cc1cnccc1CN1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037980803 JCBITMAEZWXSBO-SFHVURJKSA-N 317.433 1.849 0 40 DDAB CC(C)N(C)C(=O)[C@H]1CN(c2ncccn2)CC12CCOCC2 1565541924 UEAPFPPZHGBXNK-CQSZACIVSA-N 318.421 1.576 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N3)CC2)cn1 1565549318 UYESKIRVXUAKGK-QGZVFWFLSA-N 301.390 1.919 0 40 DDAB COC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccccc2)o1 5107317 TVLVJEFLBMJKIC-VIFPVBQESA-N 321.358 1.653 0 40 DDAB COc1cc(NS(=O)(=O)C(C)C)ccc1N1CCCC1=O 5329414 KKFYMYIAZTUTHQ-UHFFFAOYSA-N 312.391 1.972 0 40 DDAB COC(CNC(=O)COc1cccc2c1OC(C)(C)C2)OC 15881068 YUCRPOOLFPPISW-UHFFFAOYSA-N 309.362 1.514 0 40 DDAB Cc1cc(O)nc(NC(=O)[C@H](C)n2nc(C3CC3)ccc2=O)n1 585150004 WQEYDOIRSOTGCJ-VIFPVBQESA-N 315.333 1.124 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCCN(CC2CC2)CC1 72254297 RGDXWUVXTGTPPX-UHFFFAOYSA-N 318.465 1.914 0 40 DDAB O=S(=O)(C[C@@H]1CCCN1)c1ccc(Br)cc1 20183799 AHHYRJGYHUBZDF-JTQLQIEISA-N 304.209 1.975 0 40 DDAB C[C@@H]1CN(C(=O)CCCn2cnc3ccccc3c2=O)CCO1 40477933 RYODNCQFNLTYNL-CYBMUJFWSA-N 315.373 1.424 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)N1CCC(O)CC1 40477764 WZLLXTBZKGIAFD-UHFFFAOYSA-N 314.389 1.598 0 40 DDAB Cc1ccc(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 100970420 YVQTYGLVQRNFCB-UHFFFAOYSA-N 316.386 1.561 0 40 DDAB CCn1cc(CN(C)C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(C)n1 20606864 VVHOCQWQVCFXRI-ZIAGYGMSSA-N 305.378 1.837 0 40 DDAB C[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)CN1CCCC1 101385736 UCCIGPJBAHWHOJ-HZPDHXFCSA-N 306.454 1.374 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cccs1 101750141 AZOAATLDBZVDST-TXEJJXNPSA-N 304.371 1.316 0 40 DDAB COc1ncccc1CNC(=O)N(C[C@H]1CCOC1)C1CC1 45965815 TUOHYNGBZLKOHP-GFCCVEGCSA-N 305.378 1.801 0 40 DDAB CCn1c(COc2cccc(C)c2)nnc1SCC(N)=O 419278 VBEANWBSJNKCFY-UHFFFAOYSA-N 306.391 1.763 0 40 DDAB c1ccc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)no2)cc1 69872069 ZDJAQTAXFJQEJI-CQSZACIVSA-N 310.361 1.993 0 40 DDAB OCCN(CCO)CCCNc1ccnc2cc(Cl)ccc12 1687508 ZUMSZBGPBCFEDO-UHFFFAOYSA-N 323.824 1.977 0 40 DDAB C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc2c(c1)OCCCO2 32744205 FQHMRXSBVQUGMY-SNVBAGLBSA-N 315.329 1.835 0 40 DDAB COCC(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1 4237966 SLMIHKUANDWIPI-UHFFFAOYSA-N 323.462 1.994 0 40 DDAB O=C1N=C(O)[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1ccco1 4337585 ZBSYMJOOCQVTLP-RRKCRQDMSA-N 308.340 1.749 0 40 DDAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1C(N)=O 4517019 IKEBKCPNOMVRNN-LURJTMIESA-N 323.403 1.339 0 40 DDAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2)NC1CC1 100162114 FNYMMGILWDMUAY-KBPBESRZSA-N 301.390 1.175 0 40 DDAB Cc1nsc(N2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)n1 76092836 NCJHISAPICLDSS-MRVPVSSYSA-N 321.233 1.689 0 40 DDAB O=C(CC(=O)[C@H]1CCOC1=O)C(=O)Nc1ccc(Cl)cc1 102947121 PIJTVUBKZOHRTA-SNVBAGLBSA-N 309.705 1.370 0 40 DDAB C[C@@H](CO)[C@@H](C)NC(=O)NCc1cn2cc(Cl)ccc2n1 77760240 ODHBTPKXMQKKIY-VHSXEESVSA-N 310.785 1.804 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1ccccc1Cn1cncn1 33107761 AXXVPFAHHYNASC-INIZCTEOSA-N 314.389 1.902 0 40 DDAB O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc2c(c1)OCO2 534708 RNDLXNICSYKZMK-LBPRGKRZSA-N 302.330 1.533 0 40 DDAB O=C(OCCN1CCCC1=O)c1cc(=O)[nH]c2ccccc12 53676620 MVYZOFKEIRIXPV-UHFFFAOYSA-N 300.314 1.307 0 40 DDAB CSc1ccc(CN(C)C(=O)C2=NN(C)C(=O)CC2)cc1 23531370 WVFGXBIFPMIREI-UHFFFAOYSA-N 305.403 1.975 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2ccncc2)CC1 54687857 HDYUQKJQMFZVCK-UHFFFAOYSA-N 323.396 1.908 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCO1 24031667 KLTTZZPEFMVJDP-GFCCVEGCSA-N 317.389 1.238 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1ccccc1 42869221 DEHXGNHTTWHCAF-LSDHHAIUSA-N 322.430 1.590 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@H]1C(N)=O 105756371 OIIOEIMXMNGSAQ-HIFRSBDPSA-N 303.406 1.546 0 40 DDAB CN1C(=O)C(=O)N(CN(Cc2ccc(F)cc2)C2CC2)C1=O 23852425 IULDXQHQRFXQCS-UHFFFAOYSA-N 305.309 1.168 0 40 DDAB O=C(NCCNc1ncccn1)N[C@@H]1CCOc2ccccc21 43165410 QBXYCSOASKNHIB-CYBMUJFWSA-N 313.361 1.712 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)Nc2cc(C)n[nH]2)cc1 47555445 UOIFLMDEKOEWPT-UHFFFAOYSA-N 302.334 1.485 0 40 DDAB CC[C@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24779969 HUXIOVPFHZZVJX-ZDUSSCGKSA-N 314.393 1.357 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 55645351 VWOUWODMWRXMCQ-UKRRQHHQSA-N 322.430 1.566 0 40 DDAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCOCC3)C2)o1 107264212 LYUHERAZLPIACH-BZUAXINKSA-N 320.389 1.036 0 40 DDAB Cc1csc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 43534109 XNEZTDJDAIQFDH-CQSZACIVSA-N 316.430 1.800 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108526292 QSRHEXYAOJPRMO-IWCQGFGOSA-N 315.417 1.539 0 40 DDAB O=C(COc1ccccc1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100741398 XUGDYAXTRWINRY-HUUCEWRRSA-N 324.380 1.873 0 40 DDAB O=C(C[C@H]1CCCO1)NCC(=O)N1CCCc2ccccc21 57271372 OUMKXTZLEIBFHK-CQSZACIVSA-N 302.374 1.651 0 40 DDAB COc1ccc([C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1F 44261554 BBNAIBBUXGKZNI-MLGOLLRUSA-N 322.336 1.588 0 40 DDAB O=C(c1ccno1)N1CC[C@@H]2[C@H]1CCN2CC1CCOCC1 107199413 KYDBRHKQCJZROU-ZIAGYGMSSA-N 305.378 1.390 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)[nH]n1 57471851 DHWHIJAVCSDUBK-UHFFFAOYSA-N 303.274 1.242 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)CCc2cccc(Cl)c2)CC1 57655121 XVKGUVAGFXHRBK-CYBMUJFWSA-N 310.825 1.798 0 40 DDAB CN(C)C(=O)c1cccc(NC(=O)Cn2cc(Cl)cn2)c1 58114780 ZTLQGJRAECTLJU-UHFFFAOYSA-N 306.753 1.877 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCC(OC)CC2)cc1 44892940 UTUZLVKUQHASGM-UHFFFAOYSA-N 313.375 1.273 0 40 DDAB Cc1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1C(F)(F)F 58201352 IJVQGZBYHRNOCX-UHFFFAOYSA-N 324.324 1.380 0 40 DDAB CN(C)S(=O)(=O)N1CCN([C@@H]2CCCc3ccccc32)CC1 44977277 VARPCCFDRSTORF-MRXNPFEDSA-N 323.462 1.488 0 40 DDAB C[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)[C@H]1CCCO1 27894065 UETMGEGRHXRHIM-GXTWGEPZSA-N 316.357 1.787 0 40 DDAB COc1c(CNC[C@H](O)COc2ccc(F)cc2)c(C)nn1C 58314903 VINVTSQFLXEUFE-ZDUSSCGKSA-N 323.368 1.406 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 58311035 USOQIUCBAQOXKG-CQSZACIVSA-N 303.406 1.693 0 40 DDAB C[C@@H]1CN(CCC(=O)Nc2sccc2C(N)=O)C[C@@H](C)O1 28842751 APNXGVBNLCIGMF-NXEZZACHSA-N 311.407 1.285 0 40 DDAB CCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 113961402 UKMBDEYBVQYPSR-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cccn1)N1CCc2ccccc2C1 69949419 HFCBYOAYDIDMPY-SFHVURJKSA-N 324.428 1.932 0 40 DDAB CCn1c(SCC(=O)O)nnc1[C@@H]1COc2ccccc2O1 26509916 NOTMQKBSYAUNND-NSHDSACASA-N 321.358 1.987 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NC(=O)NC1CCCC1 6086825 SGKBRZUJIJLECW-UHFFFAOYSA-N 314.345 1.165 0 40 DDAB NCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 5072228 XRHSXEHUJRWDAY-UHFFFAOYSA-N 312.782 1.955 0 40 DDAB CCN(CC)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cn1 65518480 OZYKMVGZJPNHLJ-UHFFFAOYSA-N 304.394 1.265 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1cnn(Cc3ccccc3)c1)CC2 65566902 HFWQTHLMUQKTFD-KRWDZBQOSA-N 322.416 1.936 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCC2 65554470 XBKMNWLPWFZZIA-NSHDSACASA-N 316.409 1.385 0 40 DDAB c1cc2c(cc1Sc1ccc3nnnn3n1)OCCCO2 14234597 NCWAUHINXGDPGR-UHFFFAOYSA-N 301.331 1.832 0 40 DDAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(N)=O)cc1 5636648 GWEKIGPUBLAGDD-ZCFIWIBFSA-N 323.403 1.339 0 40 DDAB CC(C)C(=O)NC(=O)COC(=O)c1ccc2ncsc2c1 7061532 SCKRXYNHSINIQZ-UHFFFAOYSA-N 306.343 1.752 0 40 DDAB COC(=O)c1ccc(CNC(=O)CNC(=O)c2ccco2)cc1 9390126 LMDKIJQCWARYSK-UHFFFAOYSA-N 316.313 1.112 0 40 DDAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cn1 16130643 IDPUGQVQCLLOTF-UHFFFAOYSA-N 308.315 1.589 0 40 DDAB Cc1ccn2ncc(C(=O)N[C@H]3CCCn4nc(C)nc43)c2n1 81582835 JVRMIRAJDVYZLB-LBPRGKRZSA-N 311.349 1.203 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccccc1)CC2 96000652 XKOCSFDHSXZDLV-LBPRGKRZSA-N 320.418 1.695 0 40 DDAB CCn1nc(C)c2c1cnn2CCNC(=O)c1ccc(C)o1 72240932 MXTQVDCDWYKQAV-UHFFFAOYSA-N 301.350 1.893 0 40 DDAB CCCOc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1 93531293 HCVDXVKHGUTKAO-AWEZNQCLSA-N 312.435 1.599 0 40 DDAB O=C1NC(c2ccccc2)=N[C@@]1(Nc1ncccn1)C(F)(F)F 19873630 MGKKUTXOZHCUTN-ZDUSSCGKSA-N 321.262 1.724 0 40 DDAB CC(C)NC(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408977937 ZSRMBQDTMBOQPG-UHFFFAOYSA-N 310.313 1.415 0 40 DDAB COc1ccc(OC(C)C)c(NC(=O)NCC(=O)NC2CC2)c1 71883769 LTWNUFNKIKQMHN-UHFFFAOYSA-N 321.377 1.883 0 40 DDAB CCN(CC(=O)NC(C)(C)C)CC(=O)N(C)c1nccs1 71896937 HFHJVQYFVPRHRT-UHFFFAOYSA-N 312.439 1.343 0 40 DDAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)NCc2ccccc2)no1 71859230 PAZNTJACFDTTCL-GTJPDFRWSA-N 306.387 1.937 0 40 DDAB CN(C)[C@H](CNC(=O)C1(C(=O)NC2CC2)CCC1)c1ccco1 83847605 AOQNYFCVSIJPQU-CYBMUJFWSA-N 319.405 1.447 0 40 DDAB CC(C)(C)NC(=O)NCCS(=O)(=O)c1ccccc1F 97014257 GGMGGEFSGASLQK-UHFFFAOYSA-N 302.371 1.697 0 40 DDAB CC[C@H]1CN(c2cnn(C)c(=O)c2Br)CCO1 71903094 VBSLSWFCOJUSTG-QMMMGPOBSA-N 302.172 1.158 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1nccn1C)CC2 71909070 SUDHFOTVKBIADZ-UHFFFAOYSA-N 320.418 1.233 0 40 DDAB C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1N(C)C 78894479 HWRNCRDFFIDYSY-AAEUAGOBSA-N 300.358 1.815 0 40 DDAB COCCN1CCN(Cc2c[nH]nc2-c2ccccc2)CC1=O 97051996 FHRCVLPQIYZXOR-UHFFFAOYSA-N 314.389 1.367 0 40 DDAB Cc1nc(CNS(=O)(=O)N2CCC[C@@H]2c2ccco2)no1 78881042 MHPXMRQGUSTJAA-SNVBAGLBSA-N 312.351 1.143 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)CS(C)(=O)=O 87139105 RIZUDMUZFFNCLD-NSHDSACASA-N 316.398 1.409 0 40 DDAB Cn1c(=O)/c(=C/c2ccccc2)s/c1=C/C(=O)C(C)(C)C 96803971 XMVDOGUSAZSLPV-KXIMDHCPSA-N 301.411 1.671 0 40 DDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](n2cncn2)C1 72234984 MWUIIIMGOHOLPT-KKUMJFAQSA-N 322.409 1.416 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Sc2ccccc2)C1=O 9867482 GCACAPRYQJUDAM-BONVTDFDSA-N 321.402 1.919 0 40 DDAB COC(=O)C1(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 97146673 KFKGINVSDIVJME-KBPBESRZSA-N 320.364 1.640 0 40 DDAB CCCn1cc(S(=O)(=O)N(C)Cc2nonc2C)c(C)n1 72390390 KICMHLFNQXKVJL-UHFFFAOYSA-N 313.383 1.114 0 40 DDAB COc1ccc(OC[C@@H](O)CN2CCn3ccnc3C2)cc1 97201232 QFVZZLIIBADKRM-ZDUSSCGKSA-N 303.362 1.147 0 40 DDAB COc1ccc(Cl)cc1CC(=O)NC1CCS(=O)CC1 95458520 AMMBVQTURAFNPU-UHFFFAOYSA-N 315.822 1.918 0 40 DDAB COCCN(CCNC(=O)c1nc(C)n2ccccc12)C1CC1 95400518 YYTRPXQPLOJBTK-UHFFFAOYSA-N 316.405 1.483 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cn1 95404113 KQMLHRTYDABIAP-MAUKXSAKSA-N 324.384 1.601 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@H]1C(=O)O 88374291 UELYKDNYMUZUBK-NSHDSACASA-N 313.737 1.339 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1CCC[C@@H](N(C)C)C1 74536492 FAAQCGAEYGTMAW-CQSZACIVSA-N 307.442 1.775 0 40 DDAB CCc1cnc(CCNC(=O)N2CCC[C@H](N(C)C)C2)s1 74842322 SOPLUQQRQKYXOT-LBPRGKRZSA-N 310.467 1.984 0 40 DDAB O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nc(C2CC2)no1 89598198 PBVOLNSFORFPPB-UHFFFAOYSA-N 302.334 1.558 0 40 DDAB Cc1cnc(CNS(=O)(=O)c2cc(Cl)cnc2N)o1 89702354 RAONQONSOFYNMN-UHFFFAOYSA-N 302.743 1.092 0 40 DDAB COc1ccc([C@H](O)CNC(=O)N[C@@H](C)Cn2cccn2)cc1 89904371 ARUILTSVCNZIIX-SWLSCSKDSA-N 318.377 1.313 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2cn3cccnc3n2)C12CCC2 89985945 PWUJIBVNEOTORY-OLZOCXBDSA-N 300.362 1.807 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1 72242043 SDLSAVCVENAYHG-ZBFHGGJFSA-N 320.389 1.367 0 40 DDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccs1 71980142 VKAWVJCCVIKRPW-LLVKDONJSA-N 324.402 1.486 0 40 DDAB CCn1nc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1C 331291400 PHCPYAUOYHVRCR-UHFFFAOYSA-N 324.410 1.177 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(F)c1 60359765 ITXHOGUFFOFYPJ-OAHLLOKOSA-N 321.396 1.498 0 40 DDAB O=C(NCc1ccccc1)[C@@]1(O)CCN(Cc2ccccc2)C1 523686843 YLHOMXISUBCJFB-LJQANCHMSA-N 310.397 1.940 0 40 DDAB CC(C)C[C@H](CN)NS(=O)(=O)c1cccc2cnccc12 70543147 DAACLEIYMOYJRZ-CYBMUJFWSA-N 307.419 1.887 0 40 DDAB OCCN1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 72361645 PBJDAKVYDWYGNZ-GFCCVEGCSA-N 300.366 1.182 0 40 DDAB CNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 71116908 BRGIEGNBBJBBMW-UHFFFAOYSA-N 311.334 1.893 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cncc(Br)c1 75161327 JTPYXLZOYJSAAA-JTQLQIEISA-N 324.178 1.337 0 40 DDAB CNc1cc([C@H]2CCN2C(=O)CN2CCCCC2)nc(C)n1 72387616 QCGDVQJMTSKDRK-CQSZACIVSA-N 303.410 1.586 0 40 DDAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 72227592 AWPFYJLERJRASB-HUUCEWRRSA-N 300.289 1.970 0 40 DDAB COc1cccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCO3)c1 72227570 HZRSHQWNSKDWBC-JKSUJKDBSA-N 312.325 1.839 0 40 DDAB CC1(C)Oc2ccc(NC(=O)CCCC(=O)O)cc2NC1=O 46088375 ZXEVFQCKALLHRA-UHFFFAOYSA-N 306.318 1.990 0 40 DDAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 223604039 BJCOPMOYNQYJTQ-ZIAGYGMSSA-N 302.403 1.765 0 40 DDAB CC1(C)CC(=O)Nc2ccc(C(=O)N3CCC(O)CC3)cc21 226743683 VFJZWBOXRQNBMK-UHFFFAOYSA-N 302.374 1.903 0 40 DDAB O=C(NCCc1ccccc1)c1cc(N2CCOCC2)on1 224071773 LOVUEXFMNZPDDX-UHFFFAOYSA-N 301.346 1.484 0 40 DDAB O=C(COc1ccccn1)Nc1ccc(N2CCOCC2)cc1 49890725 ODEYOJDKYIKOIQ-UHFFFAOYSA-N 313.357 1.936 0 40 DDAB Cc1ccc(CNC(=O)Cn2cnnn2)c(OC2CCCC2)c1 87477374 GMDVJJIJKSADSW-UHFFFAOYSA-N 315.377 1.619 0 40 DDAB CCc1ccc(C(=O)N2CCN(CCCC(=O)OC)CC2)cc1 96407706 GZQWVOCDIZEQDL-UHFFFAOYSA-N 318.417 1.960 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 96183840 UIFQAHLIFWSUDC-KGLIPLIRSA-N 318.373 1.237 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 96430470 AYRMCBNEHMRCCX-OCCSQVGLSA-N 304.415 1.741 0 40 DDAB Cc1ccc(C)c(-n2ccnc2SCCS(N)(=O)=O)c1 96411548 RCLOYSGXISREKT-UHFFFAOYSA-N 311.432 1.870 0 40 DDAB Cn1nnnc1COc1ccc(C(=O)Nc2ccncc2)cc1 96101316 ROJNZTYXUXQZOT-UHFFFAOYSA-N 310.317 1.436 0 40 DDAB COC[C@H]1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC(C)(C)O1 332643874 GTBHMAFTXOAKJH-CHWSQXEVSA-N 322.409 1.102 0 40 DDAB CC(C)C[C@]1(C)CC(=O)N(CC(=O)NCC(F)(F)F)C1=O 96419535 FMXNRLBYCQQAIC-GFCCVEGCSA-N 308.300 1.476 0 40 DDAB CCCn1nnnc1CNc1ccc(C(=O)N(C)C)c(C)c1 96453635 CHBWBDYHCOHKRF-UHFFFAOYSA-N 302.382 1.705 0 40 DDAB CS(=O)(=O)N1CCCC12CCN(Cc1ccccn1)CC2 96049351 PXHXKPBMUYUUOY-UHFFFAOYSA-N 309.435 1.472 0 40 DDAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2cccnc2)C3)nc1 253602544 PPULXMPSDDUWQO-OAHLLOKOSA-N 312.373 1.684 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)CCc2nnc(C(C)C)o2)[C@H]1O 257205948 BBEOCUYEGKRQFC-JTNHKYCSSA-N 311.382 1.170 0 40 DDAB Cc1nccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)n1 257204013 ASQJHPSMSRESRE-HZPDHXFCSA-N 303.337 1.548 0 40 DDAB Cc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)c2sccn12 257247042 IXDCYNKGFIAMMS-JTQLQIEISA-N 314.436 1.300 0 40 DDAB COCC(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257277407 NXVLKCIWOYVXRK-RDJZCZTQSA-N 305.374 1.610 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257309485 UBDAPIHTHIGMMV-HNNXBMFYSA-N 315.377 1.362 0 40 DDAB CC(=O)N[C@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 257304815 SNGAPPSYDDBQTE-AWEZNQCLSA-N 306.410 1.070 0 40 DDAB COCCC(=O)N1CCO[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 257279874 OINBWHJLQVIELR-OAHLLOKOSA-N 316.361 1.408 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257205872 BAXQJSPDVZKUNX-NSHDSACASA-N 315.333 1.302 0 40 DDAB COCCOc1cc(C(=O)NCCCc2nc(C)no2)ccn1 253470927 AFPQOIBEGZYTSV-UHFFFAOYSA-N 320.349 1.161 0 40 DDAB O=C(c1cnc(O)nc1O)N1CCC[C@@H](Cc2ccccn2)C1 257251928 JSWIRRAKIAHTDA-NSHDSACASA-N 314.345 1.378 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3ccno3)cn2)CCCCO1 257246372 ITVDLMLGFUZPMF-HNNXBMFYSA-N 302.334 1.810 0 40 DDAB Cc1ccc(C2=NO[C@H](CNS(=O)(=O)C3CC3)C2)cc1C 252503346 VBTYQMWPQRZEHM-ZDUSSCGKSA-N 308.403 1.878 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)CCF)C3)n1 575406526 YHQBKMGDFWYUMF-GFCCVEGCSA-N 309.341 1.283 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(Cc3cc[nH]n3)CCO2)cc1 585277358 VHTRGXHGBOWUNG-QGZVFWFLSA-N 301.390 1.524 0 40 DDAB COC(=O)c1ncn(CN2CCC[C@H]2Cc2ccc(F)cc2)n1 58267516 MZVZNMZAIPCGKX-AWEZNQCLSA-N 318.352 1.868 0 40 DDAB C[C@@H](C(=O)N1CCCN(c2nccs2)CC1)n1cncn1 71830811 UECBFUAAFMEUMZ-NSHDSACASA-N 306.395 1.035 0 40 DDAB COc1cccc2[nH]c(C(=O)NCCCN3CCCC3=O)cc12 5345094 IRGWMVVDMIEFQA-UHFFFAOYSA-N 315.373 1.919 0 40 DDAB Nc1nonc1CC(=O)N1CCCC[C@@H]1CN1CCCCC1 12361001 LWVGWJQKAHCAOK-GFCCVEGCSA-N 307.398 1.061 0 40 DDAB O=C1CN(NC(=O)c2ccc(C3SCCS3)cc2)C(=O)N1 25612452 FFMMMYZYIBYOBC-UHFFFAOYSA-N 323.399 1.362 0 40 DDAB COc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)cc1 32301512 MBRHZZMSNMTIMF-LSDHHAIUSA-N 315.373 1.813 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066068453 CLYCRAGQXYBOGD-BETUJISGSA-N 324.388 1.286 0 40 DDAB Cc1cc(OCC2CCN(CCn3ccnn3)CC2)ccn1 1775995909 MZUSBNGJKNGMBF-UHFFFAOYSA-N 301.394 1.773 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1nn(-c2ccccc2)nc1C 40457624 OYUGYMVOZZJPEN-OAHLLOKOSA-N 313.405 1.790 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCCC2)cc1 31903749 IHUYFKIORSRPOT-CQSZACIVSA-N 312.435 1.072 0 40 DDAB O=S(=O)(N[C@H]1CCCN(c2ncccc2Cl)C1)C1CC1 2086884502 BZBYUBJQEHTZPX-JTQLQIEISA-N 315.826 1.786 0 40 DDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@]1(O)C=CCCC1 606440369 HBNWDVHPKUFFKP-QGZVFWFLSA-N 318.373 1.530 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](Oc2cnsn2)C1 618256144 DKVLJDAVFSRQSO-DGCLKSJQSA-N 319.386 1.985 0 40 DDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(N)CCCCC1 2124060 OTWCGEDAOGBECP-CQSZACIVSA-N 304.390 1.549 0 40 DDAB biogenic C[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[C@@H]1CN(C)CCO1 97234297 OATBAUVGGWNIJA-CFVMTHIKSA-N 321.425 1.365 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NCC1(CO)CCOCC1 40636200 UBNOILTZPOHKSZ-UHFFFAOYSA-N 317.382 1.202 0 40 DDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1ccc(Cl)s1 46110467 FBNSOXKEMZHTOD-ZETCQYMHSA-N 307.824 1.983 0 40 DDAB COc1ccc2cc(C)c3nnc(SCC(N)=O)n3c2c1 415777 YODRTXGQJUQUBH-UHFFFAOYSA-N 302.359 1.777 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 71870466 XEFXRKGZCKPPLB-GJZGRUSLSA-N 302.422 1.987 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)NCCNc1cnccn1 46372917 VKNOBSARZOFLNN-ZDUSSCGKSA-N 306.414 1.062 0 40 DDAB Cc1noc(CNc2ccccc2C(=O)N2CCC[C@@H]2CO)n1 69895618 HGJJHZFWGBVPOL-GFCCVEGCSA-N 316.361 1.587 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3O)ccc21 814693 XKEYBFOXNMHJTG-UHFFFAOYSA-N 320.326 1.638 0 40 DDAB N=C(CNC(=O)OCc1ccccc1)N1CCC[C@@H]1C(=O)O 1692984 ONBJBZOPNRTVRS-GFCCVEGCSA-N 305.334 1.439 0 40 DDAB N[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 1719792 KGXGNCWRTGFTGA-HOTGVXAUSA-N 301.298 1.877 0 40 DDAB COc1cccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c1 4073701 WDXKXEGGFYAZRU-JFILPPLUSA-N 301.298 1.066 0 40 DDAB CC(=O)c1c(SCC(=O)NCC(F)(F)F)nc(=O)[nH]c1C 32873952 BVOYRGAGUNHTKS-UHFFFAOYSA-N 323.296 1.052 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 6843203 RBIIJVSQXHUREY-UHFFFAOYSA-N 304.799 1.487 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 32916645 XCRARZJYHLSKEE-LBPRGKRZSA-N 315.370 1.371 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccccc1C 21883839 OEQHCZHSUHGVBZ-UHFFFAOYSA-N 309.347 1.696 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C 57521265 VXYHFRYDVJHZSN-MRVPVSSYSA-N 308.407 1.577 0 40 DDAB O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1Cc1ccccc1 8570054 BHUIKMWTNASXJE-HZPDHXFCSA-N 316.401 1.551 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nncn1C 46962126 WPYZYQMTMIOZQI-CYBMUJFWSA-N 314.393 1.408 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCOC1 47067039 SDTRZPHCPIFBLW-ZDUSSCGKSA-N 306.362 1.636 0 40 DDAB NC(=O)[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 41793333 VQWNBSUJXKCFLF-HOTGVXAUSA-N 323.352 1.522 0 40 DDAB COc1ccc(CN(C)C(=O)C2=NN(C)C(=O)CC2)cc1F 23734993 GTGQNGATEMQRGC-UHFFFAOYSA-N 307.325 1.401 0 40 DDAB CN1CC[C@@H](N(C)C(=O)/C=C/c2cn(C)c3ccccc23)C1=O 76066313 CMVOSTZIMOVQMK-ROJDOSBLSA-N 311.385 1.881 0 40 DDAB O=C(Cn1cnnn1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166766 VQVUQXLECYVETG-HUUCEWRRSA-N 315.352 1.749 0 40 DDAB Cc1cc(CN(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)no1 25137851 IFUIDLYNGJXEQB-AWEZNQCLSA-N 300.314 1.723 0 40 DDAB COC(=O)N(C)CC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 55800498 SJXAESVNQFYQMS-AWEZNQCLSA-N 321.377 1.287 0 40 DDAB COC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C 55860143 FQQXVVHPQCYYQB-UHFFFAOYSA-N 304.268 1.872 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCSCC2)[C@H]1c1ccccc1 57355867 WSJQCUMHGXPGOO-HUUCEWRRSA-N 320.414 1.160 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@@H](n2cncn2)C1 72235042 DIJRJHGXTWABPS-HUUCEWRRSA-N 319.409 1.233 0 40 DDAB CCc1nc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cs1 72269332 BOJVWRMFSQZYIC-ZIAGYGMSSA-N 323.462 1.306 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)C2 72292646 IRGLTJFFHZKRSA-UKRRQHHQSA-N 315.348 1.765 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc(C)nc2ccccc12 3366745 XVZFYOQIFQVKIL-UHFFFAOYSA-N 315.329 1.546 0 40 DDAB COc1ccc(CC(=O)N2CCCN(C3CC3)CC2)cc1OC 58277904 GFJMCDSSLHLFPC-UHFFFAOYSA-N 318.417 1.943 0 40 DDAB Cc1cc2n(n1)C[C@@H](CN[C@@H]1CCCc3c1cnn3C)CN2 58298885 OGIHBBCRHLBZBG-GXTWGEPZSA-N 300.410 1.634 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@H](c1ccco1)N(C)C 58266176 IMVFAGFVLQFLKP-GFCCVEGCSA-N 303.428 1.449 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1CCC[C@@H](C)C1 44937478 FAWUFAZRGPXZNL-SNVBAGLBSA-N 301.412 1.302 0 40 DDAB CCN(CC)C(=S)SCC(=O)N1CCC(C(N)=O)CC1 2232042 DVLMORQYTIZUNW-UHFFFAOYSA-N 317.480 1.070 0 40 DDAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccncc2)CC1 2527333 DNCDPOMEHCNKSV-CYBMUJFWSA-N 321.377 1.760 0 40 DDAB CNC(=O)C1CCN(CCC(=O)Nc2cccc(F)c2)CC1 28903378 FUNISLITDAAQOI-UHFFFAOYSA-N 307.369 1.612 0 40 DDAB O=S(=O)(Cc1c(F)cccc1F)N[C@H]1C[C@H]2CC[C@H]1O2 110700031 LTTFBSVTTQHYLG-OXHMUOHRSA-N 303.330 1.704 0 40 DDAB CC(C)C[C@H](CNC(=O)CN1CCC[C@@H]1C)N1CCOCC1 71916677 QWZONTGHZDPMMN-JKSUJKDBSA-N 311.470 1.334 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2C 4239584 IOBRFFVGCAYYGN-AWEZNQCLSA-N 319.336 1.265 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2ncccn2n1 8980912 MSACYCABNQFDIE-WDEREUQCSA-N 305.407 1.911 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(SC)s1 5211560 VGHYTSMZDMUGGK-UHFFFAOYSA-N 306.438 1.588 0 40 DDAB O=C(CSc1n[nH]c(=O)[nH]c1=O)c1cc2ccccc2o1 5214031 PNZLQCZKCXDXRJ-UHFFFAOYSA-N 303.299 1.179 0 40 DDAB CCCO[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 65459252 ZMZDNKJGGLRJHX-ZDUSSCGKSA-N 315.373 1.726 0 40 DDAB COCCNC(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 4435563 PYRHOSPAXQMWFV-OAHLLOKOSA-N 314.341 1.035 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1cccs1 14086712 UWBYMWKANXTZQN-CHWSQXEVSA-N 318.398 1.358 0 40 DDAB CC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1 5689348 VHUZNRXRTILHKA-UHFFFAOYSA-N 305.403 1.783 0 40 DDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ncccn1 9236287 LYWOOGBXRUNLMQ-UHFFFAOYSA-N 318.720 1.494 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H]1COCCO1 83980001 CEQFWCQHJWHYFY-ZBFHGGJFSA-N 305.374 1.644 0 40 DDAB COc1ccccc1C[C@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1 66894688 BZXFICDXHFKUTR-QWHCGFSZSA-N 319.405 1.533 0 40 DDAB CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])cc1OC 116703401 NBPUJZAVOUBJHE-UHFFFAOYSA-N 311.290 1.813 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@@H](O)COc1ccc(F)cc1 67147098 BZKQWRNVHDQERX-GFCCVEGCSA-N 308.309 1.600 0 40 DDAB COc1ccccc1-c1noc(CN2CCN(C(C)=O)CC2)n1 16699021 UEQCRKBMNAGGNC-UHFFFAOYSA-N 316.361 1.409 0 40 DDAB O=C(Oc1ccc(OCC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 69004784 FXXOBVMIWIDKDN-LBPRGKRZSA-N 310.371 1.816 0 40 DDAB CN1CC[C@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CC1=O 70039930 VTTSVXGLAJBCJA-UONOGXRCSA-N 304.394 1.133 0 40 DDAB CCCC(=O)NCC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 81849541 AFSIFCOOAZVMDP-AWEZNQCLSA-N 312.410 1.089 0 40 DDAB CCCn1c(C)cc(/C=C/C(=O)N2CC[C@H](C(N)=O)C2)c1C 71793012 AIXRYQWUUBMMGS-NFAHFFEMSA-N 303.406 1.862 0 40 DDAB Cc1ccccc1C1(CNC(=O)N[C@H]2CCCCNC2=O)CC1 69595876 UGOANBHSFVNRJB-HNNXBMFYSA-N 315.417 1.995 0 40 DDAB c1ccc(Cc2noc(CN[C@H]3CCc4ncnn4C3)n2)cc1 69600293 SJZFWLDOYFPDQM-ZDUSSCGKSA-N 310.361 1.357 0 40 DDAB CN(C)CCOc1cccc(CNC(=O)Nc2ccn(C)n2)c1 69618338 PLWQTUWFRWRIEP-UHFFFAOYSA-N 317.393 1.682 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 9572771 PFTBGLJCTJMWOZ-UHFFFAOYSA-N 318.354 1.991 0 40 DDAB CS(=O)(=O)Nc1ccccc1C(=O)NCCCn1ccnc1 9526046 UUSIJSMZBGGENA-UHFFFAOYSA-N 322.390 1.075 0 40 DDAB CN(C(=O)[C@H]1CCC(=O)N1)C1CCN(c2ccc(F)cc2)CC1 69741315 VMWBDFPYMUPUMG-OAHLLOKOSA-N 319.380 1.532 0 40 DDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 69739210 AKDMZVRXJPFSBN-HOTGVXAUSA-N 312.417 1.962 0 40 DDAB Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCCO2)n(CCO)n1 84247667 OFDMDDBOMHPWPW-HNNXBMFYSA-N 315.373 1.968 0 40 DDAB O=c1[nH]c2ccccc2nc1Cn1cnc2sccc2c1=O 97139479 MATHCLVEYOQQNH-UHFFFAOYSA-N 310.338 1.743 0 40 DDAB CN(C)[C@H]1CCC[C@H]1NC(=O)CNC(=O)/C=C/c1ccccc1 72304238 GKCPWLCZHXSSAJ-OEPMCUGXSA-N 315.417 1.415 0 40 DDAB Cc1nc(Cl)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72369360 QCJUCDRSGHOASP-JTQLQIEISA-N 318.830 1.424 0 40 DDAB Cn1cc([C@@H]2OCC[C@H]2CN[C@H](C(N)=O)c2ccccc2)cn1 84317416 LDQZMJMJVIWPSX-CWRNSKLLSA-N 314.389 1.314 0 40 DDAB NC(=O)NC(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1 84393008 WYNZGTWYJKGMDU-UHFFFAOYSA-N 318.255 1.412 0 40 DDAB O=C(CN1CCC[C@@H]1Cc1ccc(F)cc1)N1CCNC1=O 79202232 BUCDHYBMVXFWKM-CQSZACIVSA-N 305.353 1.384 0 40 DDAB CCOC(=O)NCCC(=O)Nc1ccc(N2CCOC2=O)cc1 84794409 GVBOWUIQMSITGW-UHFFFAOYSA-N 321.333 1.718 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(CC3CCOCC3)C[C@@H]2C)CC1 84714432 JDLIAVQVSDKOCL-YJBOKZPZSA-N 323.481 1.288 0 40 DDAB O=C(c1nnn(-c2cccc(F)c2)c1C1CC1)N1CC(O)C1 95422151 ZGWDZAAYRRZRFB-UHFFFAOYSA-N 302.309 1.101 0 40 DDAB COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)CCCCCNC(C)=O 95456197 ZYOBXLNFYAISIP-KGLIPLIRSA-N 313.394 1.958 0 40 DDAB Cc1cccc(C)c1OCC(=O)N1CCOC[C@@H]1c1ncon1 95981359 IBJQWNHHYVLQSU-CYBMUJFWSA-N 317.345 1.665 0 40 DDAB O=C1C[C@H](CNC(=O)C(F)(F)C2(O)CCC2)c2ccccc2N1 95978987 LEHVNLNSGUNNPA-SNVBAGLBSA-N 324.327 1.779 0 40 DDAB COc1ccccc1-c1csc(NC(=O)[C@H]2CNC(=O)N2)n1 89481883 CQJNLYSKYGVRIE-SECBINFHSA-N 318.358 1.439 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCc3ccccc3CC2)[C@@H](C)CO1 110625382 VDTWHWBIXVUYHN-KBPBESRZSA-N 324.446 1.441 0 40 DDAB CCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 1014562639 XAIFRMXYMCVURD-RWMBFGLXSA-N 304.394 1.485 0 40 DDAB CCn1cc(CNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c(O)nc1=O 1521452278 HFYXMTMHXFHWGC-TXEJJXNPSA-N 318.377 1.076 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 79311865 ZCGPIJKPUILMFE-VIFPVBQESA-N 324.324 1.713 0 40 DDAB CCN1C[C@@H](C(=O)Nc2cnccc2N2CCCCC2)CC1=O 79041168 IBXUJJLQUAZXRL-ZDUSSCGKSA-N 316.405 1.879 0 40 DDAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)Cc1ccc2c(c1)OCO2 565046042 IMTKHUAVTGWDOT-GRYCIOLGSA-N 303.314 1.422 0 40 DDAB NCC(=O)NC[C@H]1CCCCN1C(=O)OCc1ccccc1 79392812 UKBGMEYXUTXDNN-CQSZACIVSA-N 305.378 1.253 0 40 DDAB CCCOc1ncccc1CNC(=O)[C@H]1CCc2cncn2C1 561190311 TWSMEAYRZPWRLS-AWEZNQCLSA-N 314.389 1.946 0 40 DDAB CO[C@@H]1C[C@H](NS(=O)(=O)c2cccc3c2OCC3)C12CCC2 561457911 VIYUMGHPZIYWRX-UONOGXRCSA-N 323.414 1.857 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 137194386 AJKOHZLVHPKDEN-VHSXEESVSA-N 302.808 1.994 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 131376786 GWZYSXHWJLWSFL-GFCCVEGCSA-N 322.390 1.255 0 40 DDAB C[C@]1(C(=O)NCCc2ccccn2)Oc2ccccc2NC1=O 41545072 CVSPNCVMQLRBTR-QGZVFWFLSA-N 311.341 1.530 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)n3cccc(C)c3nc2=O)o1 226822323 NUOOZLQYBIHQRN-UHFFFAOYSA-N 313.313 1.540 0 40 DDAB CN(C)C(=O)c1ccc(N2CCC(C3CCOCC3)CC2)nn1 568876717 DIKOHHRSVZLQIM-UHFFFAOYSA-N 318.421 1.821 0 40 DDAB COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2C[C@@H]2CCCO2)cc1 49466643 XZKFTDREKPHAIA-LZWOXQAQSA-N 319.357 1.848 0 40 DDAB O=C(CCc1cccnc1)N1CCC[C@H]1CN1CCOCC1 80910727 RXDFWBVBSQEMJN-INIZCTEOSA-N 303.406 1.337 0 40 DDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)CCN(C)c1ccccc1 135584335 WDXGNEBYHGAXPY-ZFWWWQNUSA-N 312.435 1.562 0 40 DDAB CC(C)[C@H](C)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225221898 JFHCDYKKDKEEKS-NSHDSACASA-N 324.402 1.382 0 40 DDAB COC(=O)[C@H]1CN(Cc2nc3cc(Cl)ccc3[nH]2)C[C@@H](C)O1 225410543 JVWXDFGPGQZOAM-NOZJJQNGSA-N 323.780 1.979 0 40 DDAB Cc1sc(=O)n(CC(=O)N(C)[C@@H](CO)C(C)(C)C)c1C 195561518 IGRHLMFGLLVMTB-NSHDSACASA-N 300.424 1.392 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CCN(C(=O)c3ccco3)C[C@H]12)C1CC1 96056278 FAKYMOMKQLKSPG-KCQAQPDRSA-N 318.373 1.283 0 40 DDAB COCC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 96224487 ZOFXHEQEXFCTHW-QGZVFWFLSA-N 302.374 1.679 0 40 DDAB C[C@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 97234160 XVWCMEORUHATRI-WCBMZHEXSA-N 303.284 1.427 0 40 DDAB O=C(CN1CCOCC1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 97234616 TYUWXUCEDNMSGH-MRXNPFEDSA-N 322.380 1.182 0 40 DDAB COCCN1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 96045001 OHJQXVQZDLZJLZ-OAHLLOKOSA-N 323.437 1.409 0 40 DDAB CC[C@H](C)OCC(=O)Nc1cn(C)cc(Br)c1=O 96500843 APLIGDIHRFQLQI-QMMMGPOBSA-N 317.183 1.901 0 40 DDAB Cc1nnc(N2CCOC[C@@]3(CCCN(CC4CC4)C3)C2)o1 96049702 QTXKHDAKXHIFEX-MRXNPFEDSA-N 306.410 1.707 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1cc(C)cc(C)c1 96081197 DJRPVBMIKUIATA-HZPDHXFCSA-N 316.401 1.765 0 40 DDAB CN(C)Cc1nc2c(o1)CN(C(=O)c1ccc3c(c1)OCO3)C2 96260256 PRFADNWKMBCHMZ-UHFFFAOYSA-N 315.329 1.621 0 40 DDAB O=C(C1CC1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108973 JYRLZDUQZNGTES-NVXWUHKLSA-N 302.374 1.483 0 40 DDAB CCN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1 96192052 QRXIDJBVOBAICB-UHFFFAOYSA-N 311.385 1.615 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cn1 96184545 OWCHNYWFBXNJIK-CVEARBPZSA-N 311.389 1.304 0 40 DDAB O=C1CC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)N1 96411250 QUKTUPFUFYSPGI-GXSJLCMTSA-N 304.243 1.824 0 40 DDAB CCOCC[C@H]1CO[C@H]2CN(c3cc(C)nc4ncnn34)C[C@@H]12 247841176 QBBMDYPVYLDPHH-IHRRRGAJSA-N 317.393 1.311 0 40 DDAB COc1cccc(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)c1 252509566 YQNWEKDVDBQPPD-UKRRQHHQSA-N 312.435 1.632 0 40 DDAB CC(C)N1CCN(CCCN2CCC[C@H](N(C)C)CC2)CC1 252508362 XLKIODAOAUQUEU-SFHVURJKSA-N 310.530 1.819 0 40 DDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cnn(C)c2)n1 257296764 REHQHTYICJLWKD-MRXNPFEDSA-N 314.437 1.917 0 40 DDAB Cc1ocnc1C(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 257217939 DBETVRMNOIHNQL-YNEHKIRRSA-N 313.361 1.736 0 40 DDAB Cc1nccc(C(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)n1 257256168 KKIYRJVRJUVSIU-UHFFFAOYSA-N 324.388 1.682 0 40 DDAB Cn1nc(N)c2ccc([C@H]3CCCN(c4cnccn4)C3)nc21 257238761 HMKUXKRQSAJNMU-NSHDSACASA-N 309.377 1.725 0 40 DDAB COc1cc(=O)n2c(c1-c1nc(-c3ccncc3)no1)CCC2 253403208 PNNAQKNJKFOOHH-UHFFFAOYSA-N 310.313 1.915 0 40 DDAB COCC(=O)N1CCC(CCc2ccnc(NC(C)=O)c2)CC1 257212095 CBXYSNVKYNCEAV-UHFFFAOYSA-N 319.405 1.858 0 40 DDAB CC(C)n1nccc1CN1CCO[C@H](c2nccnc2N)C1 257288952 PWKASLNSVWRDPE-ZDUSSCGKSA-N 302.382 1.410 0 40 DDAB CCCNC(=O)C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1 585101301 WVKFUYLCWIPQLJ-HNNXBMFYSA-N 303.366 1.118 0 40 DDAB CCOC(=O)[C@@H](F)[C@H]1CCN(c2cc(C)nc(COC)n2)C1 585142284 RZHOCGUDZZYBNG-FZMZJTMJSA-N 311.357 1.659 0 40 DDAB O=C(NCCc1cccs1)NCCN1C(=O)CSC1=O 58009839 CMLOOZJOGFFWKH-UHFFFAOYSA-N 313.404 1.285 0 40 DDAB CN1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1 120967009 KBYUYAYQMOZCKT-UHFFFAOYSA-N 300.399 1.836 0 40 DDAB CCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 5255285 HSQHRSXUDMJSBJ-UHFFFAOYSA-N 316.365 1.309 0 40 DDAB Cc1cccc(COC(=O)Cn2cnc3c(cnn3C)c2=O)c1 12057141 PKZRYQVDLYIBHA-UHFFFAOYSA-N 312.329 1.182 0 40 DDAB Cc1cccnc1C1(O)CCN(C(=O)N2CCOCC2)CC1 12144398 OOAIKKNGRMCEIC-UHFFFAOYSA-N 305.378 1.126 0 40 DDAB Cc1ccccc1-c1ocnc1C(=O)N1CCC[C@@H](C(N)=O)C1 12338296 XOZCCXSYISHKFN-GFCCVEGCSA-N 313.357 1.988 0 40 DDAB CC(=O)N(C(C)=O)n1cc(-c2ccc(Br)cc2)nn1 16139003 YFYRAATZINXKJD-UHFFFAOYSA-N 323.150 1.739 0 40 DDAB COC(=O)CNC(=O)NC12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 18129559 DOTDFHAVNYPCSI-XYAOECAESA-N 300.786 1.789 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC[C@@H](Oc2cccnn2)C1 225419777 PNVPKTKDZARIBV-GFCCVEGCSA-N 311.407 1.592 0 40 DDAB CC(C)(C)C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)C(C)(C)C)C(=O)O 4529608 UFHJEZDFEHUYCR-OCAPTIKFSA-N 318.322 1.071 0 40 DDAB biogenic CC(C)(CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 5194649 BUKZQTHJJJBTMA-NSHDSACASA-N 309.341 1.001 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@H](NC(=O)C3CC3)C2)cc1 2086946244 APVIPJOZHWKBEF-ZDUSSCGKSA-N 322.430 1.585 0 40 DDAB COc1ncccc1C(=O)N1CCN(CC(F)(F)F)CC1 298200853 GEDXBDRVRHUGEO-UHFFFAOYSA-N 303.284 1.410 0 40 DDAB COC(=O)[C@H](C)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O 4139881 GYVRAJGFVYFCHK-JTQLQIEISA-N 313.317 1.020 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCO1 40479677 ZIYJHJXEJWVZIR-ZDUSSCGKSA-N 313.357 1.153 0 40 DDAB CCc1nnc(SCC(=O)N2CCCc3ccccc32)n1N 111701 WSXQZSDCSSYPRQ-UHFFFAOYSA-N 317.418 1.626 0 40 DDAB CCOC(=O)N1CCN(C(=O)Nc2cccnc2OCC)CC1 40540920 NQYDRUVBBSOKRD-UHFFFAOYSA-N 322.365 1.786 0 40 DDAB COC(=O)c1cnn2c(C(F)F)cc(-c3cnn(C)c3)nc12 20617595 GLMFMRLSQNMUCT-UHFFFAOYSA-N 307.260 1.854 0 40 DDAB CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCCc2occc21 84139852 WXXCDILNEHZRFE-SNVBAGLBSA-N 300.380 1.101 0 40 DDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccccc1 2643110 JGDVEASUBBNKOX-HNNXBMFYSA-N 323.352 1.788 0 40 DDAB Cc1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 32865765 AANHQGALIGUXTP-CABCVRRESA-N 307.415 1.997 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccnc1 6625759 LYYKFDGFFZRRQM-GFCCVEGCSA-N 319.386 1.065 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 6730321 IDXMKYCWWSEGFT-RQJABVFESA-N 321.760 1.653 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C[C@@]23C=C[C@H]1O3 100833587 MCUHIBYSSDHIOM-FSZRXZPDSA-N 313.353 1.845 0 40 DDAB biogenic O=C1C[C@H](n2nnn(Cc3ccccc3)c2=S)[C@H]2CO[C@H]1O2 102990676 PZDBOQVVEYLHSB-UHTWSYAYSA-N 318.358 1.113 0 40 DDAB biogenic O=C(CSc1nnc(-c2ccccc2)o1)Nn1cnnc1 570072 WXHQBJWXYXQGOG-UHFFFAOYSA-N 302.319 1.191 0 40 DDAB CC(C)NC(=O)[C@@H]1CCC[C@]12CCN(Cc1cnn(C)c1)C2 108527815 RAWFIMCDTMSNHL-DOTOQJQBSA-N 304.438 1.937 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)N(C)Cc1ccc2c(c1)OCO2 47029158 RUXSMPVCCGURCI-LBPRGKRZSA-N 316.361 1.842 0 40 DDAB CCC[C@@H](C(=O)OCC)N1CCC(CN2CCOCC2)CC1 69973454 MGLVOJZFVNSBJA-INIZCTEOSA-N 312.454 1.762 0 40 DDAB COC[C@@H](C)NC(=O)CCCn1cnc2c(C)cccc2c1=O 22624819 QXYMBHXLSOFYDA-CYBMUJFWSA-N 317.389 1.636 0 40 DDAB O=C(NCCS(=O)(=O)Nc1ccccc1)C1[C@@H]2CCCC[C@@H]12 104190526 KXPCCKOZMRYDMP-ZIAGYGMSSA-N 322.430 1.981 0 40 DDAB COc1ccc(CC(=O)N(CC(N)=O)C2CCCC2)cc1F 47236573 WSCPTGOERQDTDZ-UHFFFAOYSA-N 308.353 1.633 0 40 DDAB CCOc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 61649908 TYSNNUHQRNFXMI-HOCLYGCPSA-N 304.390 1.678 0 40 DDAB CC(C)(C)n1nc(C(=O)N[C@H]2CCCCNC2=O)cc1C1CC1 54003020 FDWXXBVFVJVETI-LBPRGKRZSA-N 318.421 1.914 0 40 DDAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2nccs2)c1 51356550 CJSGGSXEGKYLBG-UHFFFAOYSA-N 322.342 1.956 0 40 DDAB CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 76018756 PGYOZUDLVRFLQS-GWCFXTLKSA-N 310.781 1.987 0 40 DDAB Nc1nccnc1C(=O)Nc1nc(CN2CCCC2)cs1 24928501 HSWPRPZRBSLDOB-UHFFFAOYSA-N 304.379 1.363 0 40 DDAB O=C(N[C@@H]1CC[C@@H](C(=O)O)C1)c1cnn(Cc2ccccc2)c1 97039278 SLKRAXLAOJSCIE-UKRRQHHQSA-N 313.357 1.915 0 40 DDAB C[C@@H](CN(C)c1ccccc1)NS(=O)(=O)C[C@H]1CCOC1 106848950 IFURWBDOOOOMHK-KBPBESRZSA-N 312.435 1.467 0 40 DDAB C[C@H](O)CN1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C 106869444 VNEGAGCMQMUXFN-GJZGRUSLSA-N 311.470 1.212 0 40 DDAB CCc1nnsc1C(=O)NC1CCN(C(=O)C(C)C)CC1 25289380 YMHQBLIIZJOFDV-UHFFFAOYSA-N 310.423 1.477 0 40 DDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cnn(C)c1)C2=O 25309613 MCGFVSUPPQDJSU-SNVBAGLBSA-N 312.329 1.352 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)NCCOc1cc(C)cc(C)c1 56277008 XRIIJNXCWDHOOP-MRXNPFEDSA-N 304.390 1.809 0 40 DDAB COC(=O)CCSc1nnc(-c2ccc(OC)cc2)n1N 26028451 XAROAVDMMBVWJQ-UHFFFAOYSA-N 308.363 1.323 0 40 DDAB CN(C[C@@H]1CCCOC1)C(=O)Cn1nnc(-c2ccccc2)n1 107643241 VUQDMCSJXNAAKT-ZDUSSCGKSA-N 315.377 1.225 0 40 DDAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ncccn2)c1 3244940 SHAWMZKUQNBUIU-UHFFFAOYSA-N 317.301 1.289 0 40 DDAB CCCCN(C)C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426461 IYBMLDLMBYOVHV-UHFFFAOYSA-N 309.391 1.020 0 40 DDAB COCCN1CCCC2(CCN(C(=O)c3ccco3)CC2)C1=O 108531568 ZCUGWKVFAJRCCB-UHFFFAOYSA-N 320.389 1.771 0 40 DDAB CCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C 2031134 OALXWQJFXIGUHH-UHFFFAOYSA-N 307.398 1.460 0 40 DDAB C[C@@H]1CCCN([C@H](C)CNS(=O)(=O)N2CCC[C@@H](C)C2)C1 58178640 DYRQXZHVXGJBGG-RBSFLKMASA-N 317.499 1.673 0 40 DDAB COc1cccnc1NC(=O)Cn1c(=O)n(C)c2ccccc21 58193376 FARHORNBODPRDM-UHFFFAOYSA-N 312.329 1.382 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cn1 3318629 FLSJAOSDWOWFGB-LBPRGKRZSA-N 311.341 1.920 0 40 DDAB CCOC(=O)C1CCN(C(=O)c2c(C)nsc2NC)CC1 27686116 NPXOXPHDKXRVHW-UHFFFAOYSA-N 311.407 1.909 0 40 DDAB CCN1CCC[C@H](CNC(=O)c2ccccc2-n2cnnn2)C1 58275606 MZGMYPBJXPYYTA-CYBMUJFWSA-N 314.393 1.124 0 40 DDAB COc1ccc(-c2n[nH]c(S[C@@H]3CCOC3=O)n2)c(OC)c1 58214207 QDLYYAUKJPPCHM-LLVKDONJSA-N 321.358 1.897 0 40 DDAB COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)Cc1c(C)noc1C)C2 97082929 OXDSNVYQZDTCHO-MLGOLLRUSA-N 306.362 1.636 0 40 DDAB CC[C@H](C)[C@@H](NC(C)=O)C(=O)NC(=O)NCc1ccccc1 2114974 LYTIXGUTYOIHJZ-SMDDNHRTSA-N 305.378 1.563 0 40 DDAB biogenic CC(C)Cc1noc(CN2CCN(C(=O)c3ccco3)CC2)n1 44906908 WEEDDDOQNYTHMU-UHFFFAOYSA-N 318.377 1.819 0 40 DDAB Nc1nc(Cl)cc(NCc2ccc(-n3cncn3)cc2)n1 44976385 KSXPDDWDXWBMMQ-UHFFFAOYSA-N 301.741 1.905 0 40 DDAB O=C(NCCNc1cnccn1)c1cc(Cl)c2c(c1)OCO2 44913668 VYSKSAUSUGPSHE-UHFFFAOYSA-N 320.736 1.701 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)Cc1c(C)noc1C 44907826 YAJDASIJPLHKAW-NSHDSACASA-N 316.423 1.900 0 40 DDAB Cc1ncsc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 44939419 KWPWGWDXAGDFLU-CYBMUJFWSA-N 309.435 1.778 0 40 DDAB O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(=O)[nH]c1 58343563 MAPAHDDFPNXYMH-UHFFFAOYSA-N 308.341 1.533 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)COc2ccccc2)on1 10998931 QAMQYFGEXDIISX-LLVKDONJSA-N 304.302 1.932 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ncccn2)CC1 48309594 OAXUBTFUTKRQBU-NSHDSACASA-N 300.366 1.620 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CNC(=O)[C@H]1C[C@H]1C 48368539 BSGFBFLJTSJDPJ-KGLIPLIRSA-N 304.390 1.571 0 40 DDAB CCn1ncc(CNC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1C 17054971 QYDZQURODCMETB-VHMBPLKRSA-N 319.405 1.965 0 40 DDAB COCCNC(=O)COc1cc2ccccc2cc1C(=O)O 13034369 UFKNXARXBWMBCS-UHFFFAOYSA-N 303.314 1.679 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)C2)c1 69415269 VAFFYIFBQPJKTB-OAGGEKHMSA-N 321.421 1.939 0 40 DDAB CC(C)(C)CC(C)(C)NC(=O)CN1CCS(=O)(=O)CC1 48890541 MXVNQGHAPNXDRV-UHFFFAOYSA-N 304.456 1.048 0 40 DDAB COc1ccc(CCNC(=O)Cn2c(C)csc2=O)cc1 17154822 DPDARSITPMSSTI-UHFFFAOYSA-N 306.387 1.586 0 40 DDAB COCCN1CC[C@H](CNC(=O)NCCc2ccccc2)C1 63813794 LIWBYGHJOPRHAU-MRXNPFEDSA-N 305.422 1.497 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)n1 69536486 UEGHRMYWXUHJKI-JKSUJKDBSA-N 304.438 1.975 0 40 DDAB Cc1ncc(C(=O)NCCN2C(=O)c3ccccc3C2=O)s1 65402598 MCSPCLOOACKDDN-UHFFFAOYSA-N 315.354 1.478 0 40 DDAB CC(C)c1csc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 72297244 VSBODNHBEVKKPS-NSHDSACASA-N 320.422 1.659 0 40 DDAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(N2CCOCC2)nc1 21590748 JRTLYPQSIFBNFN-UHFFFAOYSA-N 315.329 1.286 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCN(Cc2cccs2)CC1 65575010 PMXVUSAIGZOEQB-UHFFFAOYSA-N 305.407 1.499 0 40 DDAB Cc1cc(C)c(CNC(=O)CN2CCCCCC2=O)c(=O)[nH]1 65552671 AUBYCTVWBJHODC-UHFFFAOYSA-N 305.378 1.011 0 40 DDAB CC(C)CNC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1 14183107 QMCNWYUWFMZLME-UHFFFAOYSA-N 318.421 1.608 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(CC3(O)CCCCC3)CCO2)n1 72253975 WHSKRNIYPOXHBF-OAHLLOKOSA-N 308.426 1.291 0 40 DDAB CCOC(=O)CCN(Cc1cccnc1)C(=O)C[C@@H]1CCCO1 65856502 MIMIASYQVTXCCW-HNNXBMFYSA-N 320.389 1.933 0 40 DDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(O)CC1 15307063 FCHQTVQLDAHYSE-GFCCVEGCSA-N 317.389 1.207 0 40 DDAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)NC(C)C)c12 8944941 JZSNVLXKOWRIOQ-UHFFFAOYSA-N 316.361 1.663 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)c1 7400350 XMGFLWULFGOALH-KRWDZBQOSA-N 315.373 1.962 0 40 DDAB COc1cccc(-c2nc(CN3CCNC(=O)C3)cs2)c1 16585649 GKPMYZFMFVGFAP-UHFFFAOYSA-N 303.387 1.751 0 40 DDAB CCc1nnnn1-c1ccccc1NC(=O)c1cnc(C)cn1 72288915 WTSRLVLBSLNQSC-UHFFFAOYSA-N 309.333 1.575 0 40 DDAB CCc1nn(C)cc1NC(=O)N[C@H](CO)Cc1ccccc1 91200772 LIUOOVJZCNSNFU-ZDUSSCGKSA-N 302.378 1.708 0 40 DDAB CCCNC(=O)NC(=O)COc1ccc(C(C)=O)cc1OC 25314208 REKNYWCVAIBAEL-UHFFFAOYSA-N 308.334 1.512 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CCCC1)CC2 96472522 VIQNPZJWYKLRRE-UHFFFAOYSA-N 320.414 1.936 0 40 DDAB CC(C)[C@H](C(=O)NC[C@H](O)Cc1ccccc1)N1CCCC1=O 71856878 YXCSDWLBGSCSLB-NVXWUHKLSA-N 318.417 1.353 0 40 DDAB O=C(CCc1ccc2c(c1)OCO2)N1CCCn2ncnc21 71839410 OKNHWXZBSZQAPP-UHFFFAOYSA-N 300.318 1.376 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccn1 71856598 WXJSTLUCBYCCHE-BFHYXJOUSA-N 304.394 1.305 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(CCOC2CCCCCC2)C1 71913984 ZKGVELUPNDBHBE-CQSZACIVSA-N 318.483 1.739 0 40 DDAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)NCc1ccco1 9746376 ABVRSBZQDSJORH-UHFFFAOYSA-N 317.732 1.959 0 40 DDAB COCCNC(=O)[C@H]1CS[C@@H](c2ccc(C)cc2)N1C(C)=O 9846082 NXXBVDHKUNIWFG-ZBFHGGJFSA-N 322.430 1.720 0 40 DDAB CC(C)c1nc(CC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cs1 95399404 MCDKORQLOZHQFC-QWRGUYRKSA-N 309.435 1.969 0 40 DDAB COc1cc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)cc2c1OCO2 84714775 DSIWGLHMMJVPSD-BXUZGUMPSA-N 320.389 1.770 0 40 DDAB CCOCCC(=O)N(C[C@H]1CN(C)CCO1)c1nccs1 95402092 UDWNVQWGSCJDMS-GFCCVEGCSA-N 313.423 1.233 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cnn(C)c1C 95437828 LWGNCNAPDGLZSQ-CQSZACIVSA-N 319.336 1.382 0 40 DDAB CC(C)CN1CCC[C@@H](CNC(=O)NC2(CCO)CCC2)C1 95431077 JYEQVKJKSBZEPJ-HNNXBMFYSA-N 311.470 1.959 0 40 DDAB Cn1cccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c1=O 74019725 XAKTWURHKMDXPL-UHFFFAOYSA-N 312.304 1.962 0 40 DDAB CC(C)[C@@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)N1CCCCC1 79310301 FUWSTCVZURLDFT-KBPBESRZSA-N 316.467 1.190 0 40 DDAB COCC(=O)N1CCN(Cc2c(Cl)cccc2OC)CC1 95982465 VGLZRFJXAXWFFB-UHFFFAOYSA-N 312.797 1.639 0 40 DDAB CC(C)(C)[C@@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@@H]1O 95996632 RCHMUNURRFYHBU-NEPJUHHUSA-N 321.425 1.163 0 40 DDAB CCCC[C@H](CN)NS(=O)(=O)c1cnc2onc(C)c2c1 95972675 BHGQYKIUBOFDJV-SNVBAGLBSA-N 312.395 1.327 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)NC[C@@H](c1cccs1)N(C)C 89938130 CGUTVBGSMXWKPD-OLZOCXBDSA-N 310.467 1.696 0 40 DDAB COCc1noc([C@H]2CCCCN2C(=O)c2cnccn2)n1 65286417 JDLPJNXCRZZUKN-LLVKDONJSA-N 303.322 1.373 0 40 DDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 36614786 UGVFZGXOHQLCAL-HTQZYQBOSA-N 323.365 1.693 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NCc1nc(-c2ccncc2)no1 72401510 KCTMLHKLEZHQRA-WDEREUQCSA-N 316.317 1.105 0 40 DDAB COCCNC(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 78441807 HIJAARPHDNSTTI-CQSZACIVSA-N 321.421 1.730 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl 71287558 CFFJYCVUTYAVPH-NXEZZACHSA-N 310.737 1.734 0 40 DDAB COc1cccc(C(=O)Nc2c(C(=O)N(C)C)nn(C)c2C)c1 72250639 WEKUOKHMZVATBR-UHFFFAOYSA-N 316.361 1.691 0 40 DDAB O=C(NCCn1ncccc1=O)C1(c2cccs2)CCCC1 38488153 NUFMQDCKQJGSSS-UHFFFAOYSA-N 317.414 1.933 0 40 DDAB CC(=O)N1CC[C@@H]1c1cc(NCc2noc(C)n2)nc(C)n1 72386965 AUFJWXPAJLRHOD-GFCCVEGCSA-N 302.338 1.382 0 40 DDAB CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)c1ncc[nH]1 78818967 SKHXRLAVRUYFAN-ZDUSSCGKSA-N 321.402 1.793 0 40 DDAB Cc1ccc(OC(=O)Cn2nc3n(c2=O)CCCCC3)c(C)c1 79143120 AYFLWAGBHBQLHZ-UHFFFAOYSA-N 315.373 1.994 0 40 DDAB CNC(=O)CN1CCC(CN(C)Cc2ccncc2Cl)CC1 75765128 DYPQAMCSBHQOQI-UHFFFAOYSA-N 324.856 1.625 0 40 DDAB Cc1noc(C)c1Cc1nnc2sc(Cn3cccn3)nn12 72404233 MWWCGAHPUIERKI-UHFFFAOYSA-N 315.362 1.626 0 40 DDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217411975 JNUZQZKHKMCIJQ-UHFFFAOYSA-N 300.380 1.893 0 40 DDAB CNc1ncc(C(=O)N2CCC([C@H]3CCCCN3C)CC2)cn1 72354299 ZRCZTQXRTKFVAK-OAHLLOKOSA-N 317.437 1.855 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1ccc(O)cc1 72388625 OBETZKZJSVMBJR-ZDUSSCGKSA-N 321.402 1.856 0 40 DDAB C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2 184988526 DMMUUUSOFUZDTR-SNVBAGLBSA-N 322.386 1.702 0 40 DDAB CNC(=O)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@H]2C 31871009 ULNFOXSDJOGDCS-SSDOTTSWSA-N 310.737 1.864 0 40 DDAB O=C(NCCCn1ncccc1=O)c1cc(-c2ccccc2)n[nH]1 38517321 ASVQTIYWIMARLU-UHFFFAOYSA-N 323.356 1.454 0 40 DDAB CS(=O)(=O)[C@H]1[C@H](CO)[C@@H]1c1ccc(Br)cc1 218195757 SRCWXYIAFWGAIY-VWYCJHECSA-N 305.193 1.568 0 40 DDAB Cc1ccnc(NC(=O)c2nn(C)c(C)c2Br)n1 32611309 RJBGAOMKEBNURK-UHFFFAOYSA-N 310.155 1.842 0 40 DDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1 74889714 MVJKRFKFBXIPDE-ZETCQYMHSA-N 313.151 1.535 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1 72241809 JYXRXORGXWWUDX-JKSUJKDBSA-N 320.364 1.737 0 40 DDAB CN(CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 79391760 PHYROUYFEVGQGZ-UHFFFAOYSA-N 305.422 1.926 0 40 DDAB COCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 72242202 OFKIUJJSDYUSKX-UKRRQHHQSA-N 308.353 1.498 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCSC1=O 44872650 QVPDNILSUZCOPQ-UHFFFAOYSA-N 322.386 1.933 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc(Cl)cc2)CC1 47880552 WNTFPZNLBKUWGQ-UHFFFAOYSA-N 317.776 1.991 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCC1=CCCCC1 224282267 NZIFRYYUNRRLMF-GASCZTMLSA-N 316.401 1.944 0 40 DDAB CN1C(=O)[C@](C)(C(=O)N2CCOCC2)Sc2ccccc21 40774665 PDCXZHXITNJYSN-OAHLLOKOSA-N 306.387 1.373 0 40 DDAB Cn1cc([C@](C)(O)CNC(=O)c2cc(-c3ccco3)on2)cn1 80892595 SQTTUHSNWDIAKX-OAHLLOKOSA-N 316.317 1.306 0 40 DDAB COCCNC(=S)Nc1nc(OC)cc(N2CCCC2)n1 225896965 PXGALRZJOOZDHY-UHFFFAOYSA-N 311.411 1.018 0 40 DDAB N[C@]12CCC[C@H]1CN(C(=O)Cc1ccn(CC(F)(F)F)n1)C2 1580158531 ZPTVUZSBHQRLGV-GWCFXTLKSA-N 316.327 1.328 0 40 DDAB COC[C@H](C)NC(=O)CNC1(c2nc(C)cs2)CCCC1 83215961 TZMGDTASUCBFLO-NSHDSACASA-N 311.451 1.962 0 40 DDAB O=S(=O)(c1cc2ccccc2o1)N1CCCn2ncnc21 84919735 QEEVUKVGQLZPRW-UHFFFAOYSA-N 304.331 1.623 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 96041205 APSBTXNUISJUKV-ARFHVFGLSA-N 304.390 1.785 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2C(=O)N(Cc3cccnc3)CC[C@H]2C1 96082019 CXGJGMYNCSHPRZ-LSDHHAIUSA-N 324.384 1.530 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(C)CC3)CC(=O)N2C)cc1 96181344 PSKUWEYLXFTPJA-RDJZCZTQSA-N 315.417 1.288 0 40 DDAB CCOCCn1nc(C(=O)OCC)c(Br)c1N 95094662 OSGBOLSSAMDWNJ-UHFFFAOYSA-N 306.160 1.441 0 40 DDAB COc1cnc(O[C@@H]2CCN(Cc3c(C)noc3C)C2)nc1 1207140542 VNQIVAQYJFEFIE-GFCCVEGCSA-N 304.350 1.743 0 40 DDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2CC2CC2)Oc2ccccc21 96111941 OSOIBIFVPDUQDG-HOCLYGCPSA-N 316.401 1.911 0 40 DDAB biogenic,in-vitro CCC(CO)(CO)NC(=O)c1oc(Br)cc1C 97376860 RRQLDRVHJZDVFM-UHFFFAOYSA-N 306.156 1.214 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159775 DSZMOQJLVFELRX-KRWDZBQOSA-N 319.380 1.932 0 40 DDAB O=C(Cc1ccco1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96206270 YVEQDRFNLDHATH-GOEBONIOSA-N 304.390 1.391 0 40 DDAB CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1cccnc1)C2 96047429 SYMWKPLSDWOKAE-MRXNPFEDSA-N 323.462 1.862 0 40 DDAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N[C@H]1CCN(C)C1=O 96440690 WLWZUIGOHCMFFL-GJZGRUSLSA-N 303.406 1.846 0 40 DDAB CS(=O)(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 96228241 UURMCIZKIDGCTJ-UHFFFAOYSA-N 322.430 1.603 0 40 DDAB CCn1nc(C)cc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COC)C1 96039209 GJMKDFMSLSTZQM-RDJZCZTQSA-N 321.421 1.869 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)OCC(=O)N2C)cc1 96181567 QCVUGVBHRHWAOA-CVEARBPZSA-N 302.374 1.516 0 40 DDAB O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)N[C@H](CO)Cc1ccccc1 252584927 DVLKNKQJLGHMHK-RFBLXINOSA-N 300.402 1.934 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H]2c2nccnc2-c2ncc[nH]2)cn1 257340303 ZFKPUXGWYFKBSS-LBPRGKRZSA-N 323.360 1.578 0 40 DDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccccc1F 250093107 XHSXIGAWLHPGST-WFASDCNBSA-N 320.364 1.695 0 40 DDAB CCc1nccn1CCC(=O)N1CC[C@H](c2[nH]ncc2C)C1 257244792 IMTODYDYTJZSFK-ZDUSSCGKSA-N 301.394 1.883 0 40 DDAB Cn1nccc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 257214084 CKLOIIOPQFGEGE-AWEZNQCLSA-N 323.404 1.775 0 40 DDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)CC2CC2)C3)n1 575404022 LGHMYVPNJNJODT-AWEZNQCLSA-N 317.389 1.724 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2cncnc2)C1 585276260 HIVYQSTTYJIHDB-QGZVFWFLSA-N 313.357 1.441 0 40 DDAB CN(Cc1cccc(C(N)=O)c1)Cn1cc(Br)cn1 49320319 AAAAWFJIKRTDPF-UHFFFAOYSA-N 323.194 1.834 0 40 DDAB Cc1ncnc(OCC2CCN(C(=O)c3cnn[nH]3)CC2)c1C 1565522361 NVTCSRUYXYZECG-UHFFFAOYSA-N 316.365 1.143 0 40 DDAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC 13610092 IHCZRRYQWHTTRH-NSHDSACASA-N 310.419 1.927 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169682318 KVMAWRQFOJLWOB-JNWWKETESA-N 309.321 1.942 0 40 DDAB Cc1cccc(Cn2nc3c(-n4ccnc4)nccn3c2=O)c1 1888919452 YTIYBJBNRGGHFC-UHFFFAOYSA-N 306.329 1.433 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C)C1 15423776 JEALQZDEUJLJKL-VIFPVBQESA-N 303.405 1.955 0 40 DDAB O=C(Cc1cccnc1)N1CCC(COc2ncccn2)CC1 1775996082 UDVAPZHGDDQWOY-UHFFFAOYSA-N 312.373 1.732 0 40 DDAB Cc1cc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)nc(N(C)C)n1 2087122242 CYDAMJVNAVPAOQ-GJZGRUSLSA-N 319.453 1.277 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]21 1565544501 IUBANFQOADGJSC-BQFCYCMXSA-N 322.449 1.681 0 40 DDAB CCOC(=O)CCC(=O)Nc1c(C)nc2sccn2c1=O 8902609 XLIZKJIEDBLQRD-UHFFFAOYSA-N 309.347 1.346 0 40 DDAB CCCS(=O)(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38554117 SNIRDYBRRSPIOS-UHFFFAOYSA-N 308.407 1.425 0 40 DDAB O=C(NCc1cn(-c2cccnc2)nn1)OCC(F)(F)F 575617432 AMBMGXRNMJXDEL-UHFFFAOYSA-N 301.228 1.451 0 40 DDAB Cn1cccc(C(=O)N2CC[C@H](n3cnc4ccccc43)C2)c1=O 575615235 CETWPCCBMJLFFZ-ZDUSSCGKSA-N 322.368 1.822 0 40 DDAB C[C@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 40033840 GUGXPYFQNMQDLV-GFCCVEGCSA-N 315.373 1.381 0 40 DDAB C[C@H](NC(=O)Cc1ccsc1)c1cccc(S(N)(=O)=O)c1 40215709 ZEUHRFGNELWBIP-JTQLQIEISA-N 324.427 1.815 0 40 DDAB Cc1cc(C)c(CNC(=O)CCc2nc(C(C)C)no2)c(=O)[nH]1 31527257 WZBKWBQDMRUBMQ-UHFFFAOYSA-N 318.377 1.747 0 40 DDAB CCOc1ccc2nc(NC(=O)[C@H]3C[C@@H](O)CN3)sc2c1 20434117 NWZINKVMCQOTGV-LDYMZIIASA-N 307.375 1.356 0 40 DDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cccs1 46051221 RPCIBRXQNVLOOF-STQMWFEESA-N 310.419 1.215 0 40 DDAB CC(=O)N1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 37187832 ASEHGFAGEOXYMB-ZDUSSCGKSA-N 301.390 1.128 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCC(C(N)=O)CC2)[C@@H]1C 32758170 GDWGYQZXSFKWNA-BHPKHCPMSA-N 309.454 1.513 0 40 DDAB O=C(COc1ccc(-n2cnnn2)cc1)NC1CCCCC1 2628029 HUHLKSYHACHVDG-UHFFFAOYSA-N 301.350 1.490 0 40 DDAB CCn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2 4882530 HHRQDEAHRXRERK-UHFFFAOYSA-N 306.347 1.439 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCOC2)C1=O 41371415 FTLCQSYXLGKBPS-STQMWFEESA-N 318.373 1.343 0 40 DDAB C[C@H]1CCCN(CCCCNC(=O)N[C@@H](C)c2nncn2C)C1 46752114 BARNGQYEVHVKLE-KBPBESRZSA-N 322.457 1.687 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 75606871 MUTAKIOSIAOFAL-MFKMUULPSA-N 323.368 1.815 0 40 DDAB O=C(CCNC(=O)Cc1ccccc1)NCC[C@H]1CCCO1 23189984 NQOYLJOQDQZZAO-OAHLLOKOSA-N 304.390 1.421 0 40 DDAB CCNC(=S)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 54254373 GCBPKONQUVTTEI-UHFFFAOYSA-N 324.425 1.276 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(N2CCCC2=O)c1 42513299 WDTXOUJYKABZBL-CYBMUJFWSA-N 312.373 1.828 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](c1cccs1)N(C)C 47833221 XEBDNKZENXAJGR-OLZOCXBDSA-N 321.450 1.935 0 40 DDAB C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)C[C@@H](C)O1 102685611 KNZGEPYVGSFWQC-LJIZCISZSA-N 310.438 1.560 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2cscn2)CC1 55435555 OKYYQLZSBLFKFP-UHFFFAOYSA-N 320.418 1.635 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C 25058257 JZWYRIBUXAUCSJ-NSHDSACASA-N 315.377 1.745 0 40 DDAB COc1ccc(NC(=O)NC[C@H](O)c2ccccc2OC)cn1 48019233 XLPQIZKGBKSABI-ZDUSSCGKSA-N 317.345 1.954 0 40 DDAB Cc1c(CC(=O)N2CCOC[C@H]2C)nnn1-c1ccccc1 57168878 CLVDGBOYTBJLTI-GFCCVEGCSA-N 300.362 1.366 0 40 DDAB CCOC(=O)CNC(=O)O[C@H]1CCN2Cc3ccccc3N=C12 1742475 AFYNRNHNFHBFCU-ZDUSSCGKSA-N 317.345 1.594 0 40 DDAB biogenic CCOCC(=O)N[C@H](CC(=O)O)c1ccc(OC)c(OC)c1 72231652 FECUITUQMMOVMI-LLVKDONJSA-N 311.334 1.372 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc2c(F)cccc2[nH]1 72282313 MSGYOQMYBZZHRJ-SECBINFHSA-N 312.366 1.860 0 40 DDAB Cn1cnnc1S[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798898 RDXKKYVGALXEIA-SNVBAGLBSA-N 324.312 1.518 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)CC1 72268895 WRFQWXHQJITODN-CQSZACIVSA-N 315.417 1.707 0 40 DDAB CCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 35877324 IYFIKIDZRDXBPB-UHFFFAOYSA-N 312.420 1.018 0 40 DDAB Cn1cc(CCCNc2cc(N3CCC[C@H]3CO)ncn2)cn1 72276260 WQCCGCYXNIKVOP-AWEZNQCLSA-N 316.409 1.216 0 40 DDAB COC(=O)[C@@](O)(CC(=O)Nc1cccc(F)c1)C(F)(F)F 2063958 IYNIGSXZSFUXFK-NSHDSACASA-N 309.215 1.621 0 40 DDAB CC[C@](C)(O)CNC(=O)Nc1cccc(-c2nnnn2C)c1 58167994 KPXTVUMOXGVTJW-AWEZNQCLSA-N 304.354 1.160 0 40 DDAB COc1cccc([C@H]2CCCN2CCCNS(C)(=O)=O)c1 58170896 CFNKWFWPRLETFR-OAHLLOKOSA-N 312.435 1.771 0 40 DDAB Cc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)n[nH]2)s1 58265651 HWYLJDQPOJGAHT-UHFFFAOYSA-N 315.358 1.793 0 40 DDAB C[C@H]1CN(C(=O)C(=O)NC[C@@H](O)C2CCCC2)c2ccccc21 72287745 LFIBHJFKDSYUAK-BLLLJJGKSA-N 316.401 1.804 0 40 DDAB COc1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1 36103401 ANWMYHDDEOEMOU-UHFFFAOYSA-N 318.417 1.880 0 40 DDAB C[C@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)C[C@@H](C)O1 44968358 VWRFTNFFBFDHBN-BETUJISGSA-N 319.409 1.264 0 40 DDAB COc1ccc(CC(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 58344717 KCZLUTZPDFJUAM-CYBMUJFWSA-N 305.378 1.287 0 40 DDAB C=C1c2ccccc2C(=O)N1CC(=O)NO[C@H]1CCCCO1 58418894 DSISVGNSPPILSF-HNNXBMFYSA-N 302.330 1.688 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(OC)c(Cl)c1 175714119 KIWOJTWZHOZYDE-UHFFFAOYSA-N 320.798 1.569 0 40 DDAB Cc1nc(SCCN2CCOC2=O)sc1CC(N)=O 28190135 VLVSYGJCHBCKJZ-UHFFFAOYSA-N 301.393 1.024 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)O)c1)c1ccncc1 13072276 PWRYCDKPYMIPJO-SECBINFHSA-N 324.333 1.958 0 40 DDAB CC(C)n1ccc(=O)nc1SCC(=O)NC[C@@H]1CCCO1 69559549 SATQOKBLMIGPJR-NSHDSACASA-N 311.407 1.212 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCN(CCn3cncn3)CC2)n1 69512532 POFCHSUMNHBYOI-CYBMUJFWSA-N 319.413 1.163 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccccc1C 9189987 CGCGWJOKHIXCBN-NSHDSACASA-N 302.330 1.517 0 40 DDAB Cc1ccc(OC[C@@H](C)NC(=O)NCCc2nc(C)no2)cc1 69624116 HPTDCBDEHZMTFT-GFCCVEGCSA-N 318.377 1.996 0 40 DDAB Cc1ncc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 69620367 OZOWORRAJVBJON-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccn1C)C2=O 39578241 PPHJSGFZRUMTJK-MEDUHNTESA-N 303.362 1.709 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cccs1 5292000 JXBVUYNPXUMGTQ-UHFFFAOYSA-N 321.402 1.619 0 40 DDAB NC(=O)[C@H]1C[C@@H](O)CN1Cc1coc(-c2cccc(Cl)c2)n1 65488606 HLVPSPFDIVYARU-CHWSQXEVSA-N 321.764 1.416 0 40 DDAB CCO[C@@H](C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1 65477761 VHWDXDRAJMBHTQ-MRXNPFEDSA-N 304.390 1.878 0 40 DDAB c1cc2c(cc1-c1n[nH]cc1CNC[C@H]1CCOC1)OCO2 65479206 CFQXBJQSKGLUJC-LLVKDONJSA-N 301.346 1.932 0 40 DDAB CC(C)c1csc([C@H]2CCCN(C(=O)c3nc(=O)[nH][nH]3)C2)n1 72300322 NODVHDFMVMAHAY-VIFPVBQESA-N 321.406 1.698 0 40 DDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 4477392 AVSAIHCEWKPHDA-KRWDZBQOSA-N 315.373 1.466 0 40 DDAB COCCn1cc(NC(=O)[C@H](CC(C)C)NC(=O)OC)cn1 65532934 BIWANILGKWNWGX-LBPRGKRZSA-N 312.370 1.239 0 40 DDAB Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccncc2)CC1 70823526 OYSHPLQESRATQN-UHFFFAOYSA-N 323.396 1.917 0 40 DDAB Cc1ccc2nc(CSc3nnnn3C3CC3)cc(=O)n2c1 9253008 STULGZSLBJFKHR-UHFFFAOYSA-N 314.374 1.617 0 40 DDAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)NC1CCCC1 15373689 XMNXGHGLGWNWOE-UHFFFAOYSA-N 321.402 1.499 0 40 DDAB CCc1nnc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)s1 7347222 ILOFQLIDQNMPCA-MADCSZMMSA-N 312.420 1.493 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 7471503 XHCTYUGHLPSBSD-QGZVFWFLSA-N 315.373 1.332 0 40 DDAB CCCc1n[nH]c([C@H]2CN(Cc3noc(CCC)n3)CCO2)n1 76049301 WBQDJUCFODAFEY-LLVKDONJSA-N 320.397 1.666 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(F)cc1 7627038 ONJIQPUPSCNOSD-LLVKDONJSA-N 308.353 1.820 0 40 DDAB Cc1cc(OC[C@@H](O)CN2CCCNCC2)cc(C)c1Cl 64875889 MWSNLCYBXAVRHV-AWEZNQCLSA-N 312.841 1.992 0 40 DDAB COC(=O)c1sc2nc(C)nc(N3CCN(C)CC3)c2c1C 7778551 RBMTUEJPWUKQCE-UHFFFAOYSA-N 320.418 1.847 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O 7815756 XQWCHIOBROMEMC-NXEZZACHSA-N 324.308 1.077 0 40 DDAB CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 20285730 MZWOJLVNTBPEPE-UHFFFAOYSA-N 314.389 1.863 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1nc(-c2ccccc2)n[nH]1 71286456 HCZIXSADBLNRLE-UWVGGRQHSA-N 300.318 1.767 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)C1=Cc2ccccc2OC1 69373728 XLBMSOGDMUQISR-UHFFFAOYSA-N 318.354 1.274 0 40 DDAB O=C(c1ccc2nncn2c1)N1CCC[C@@H]1c1noc(C2CC2)n1 84494151 AFPHVTPYJMVLDF-GFCCVEGCSA-N 324.344 1.967 0 40 DDAB CN1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cn2)CC1 71823577 JSAQABULXALYFI-OAHLLOKOSA-N 314.433 1.806 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCc2c(ncn2C)C1 71878977 UTFJNAWICXWVCZ-ZDUSSCGKSA-N 310.401 1.756 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1c(C)nc3sccn13)CC2 71877274 CRHUVAJBCRJKOU-NSHDSACASA-N 316.434 1.963 0 40 DDAB C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 94345789 IZUXPLKGTFFIKG-SKDRFNHKSA-N 322.352 1.982 0 40 DDAB O=C(Nc1ccncc1O)c1cccc(N2CCCNC2=O)c1 95406916 LUCGBUVIKZQJRN-UHFFFAOYSA-N 312.329 1.959 0 40 DDAB CC(C)(O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 95431107 CHCPZEBPQMFAQP-LLVKDONJSA-N 318.826 1.800 0 40 DDAB CC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@H]2c2nc[nH]n2)n1 95465214 GMVSWYWFDIXRIN-RKDXNWHRSA-N 305.407 1.979 0 40 DDAB O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@H](O)C1 95433000 RIYFSTRKZDRSOS-MRVPVSSYSA-N 313.272 1.600 0 40 DDAB Cc1ccc(Br)cc1C(=O)OCCCNC(N)=O 78948406 YQKPLKOVRYRDLZ-UHFFFAOYSA-N 315.167 1.973 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)on1 95952982 GUQJJEITPCNXJV-RYUDHWBXSA-N 312.391 1.471 0 40 DDAB CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C(=O)O)cc1 95969800 UCRYYQLYBRLIOQ-UHFFFAOYSA-N 306.362 1.808 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@H]1N(C)C 89948327 HCUZPXUVYSYGMG-NILFDRSVSA-N 306.454 1.939 0 40 DDAB Cc1cc(C(F)F)n(S(=O)(=O)c2c(C)nn(C)c2C)n1 36611346 IVRXWVQWQVOESP-UHFFFAOYSA-N 304.322 1.716 0 40 DDAB O=C(NCCc1ccsc1)N1CCCN(C(=O)C2CC2)CC1 124444274 FSNAEUVBINEGPP-UHFFFAOYSA-N 321.446 1.945 0 40 DDAB CO[C@@H]1CCC[C@H]1OC(=O)CCS(=O)(=O)C1CCCC1 78985710 ZZBXXVVYTMKDOG-CHWSQXEVSA-N 304.408 1.845 0 40 DDAB CN1CCC(CNC(=O)c2cc(C3CC3)nn2C)(N(C)C)CC1 36740681 SGWLENIHHZRCMI-UHFFFAOYSA-N 319.453 1.053 0 40 DDAB CN1CCC[C@@H](c2cccc(N3CCC(C(N)=O)CC3)n2)C1 72364953 ADTNDVMZAWXMEO-CQSZACIVSA-N 302.422 1.593 0 40 DDAB Cc1sc2c([C@H]3CCCN(CC(N)=O)C3)nc(C)n2c1C 72367841 SKLILZXZGYSVCE-LBPRGKRZSA-N 306.435 1.986 0 40 DDAB Cc1cc(C(=O)NCC2CCCC2)nc(N2CCOCC2)n1 71195488 KGJUAVVLOPOGHU-UHFFFAOYSA-N 304.394 1.542 0 40 DDAB Cc1nnsc1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225554882 GCEIWOAKXQQFEM-JTQLQIEISA-N 320.378 1.036 0 40 DDAB CC[C@H](N)C(=O)N(C)CCN1CCN(c2ccccc2)CC1 225490463 RHQRZFKCDGZCMY-INIZCTEOSA-N 304.438 1.004 0 40 DDAB COc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cn1 224286238 HPRUKHLIZBINKL-UHFFFAOYSA-N 323.374 1.911 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2O1)N1CCCCO1 96209581 OXPIWXCLGPBWHA-MELADBBJSA-N 318.377 1.014 0 40 DDAB CC[C@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C[C@@H](C)O1 96410732 MZUBPBKZLOZVMX-SNPRPXQTSA-N 323.441 1.232 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2c1cnn2C 96100087 LELPDGOXLOZUEW-LBPRGKRZSA-N 305.403 1.797 0 40 DDAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)NC)CC2 96147053 YVSKKDLDOULAPT-UHFFFAOYSA-N 310.423 1.365 0 40 DDAB Cc1nc(CN2CC[C@@H](N3CCCC3)C[C@@H]2C(=O)O)cs1 96069012 LXGAOAYTNUULHK-ZIAGYGMSSA-N 309.435 1.965 0 40 DDAB CC(C)[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2N1 96449140 TYZNBDKLFOZHKT-GXTWGEPZSA-N 322.430 1.904 0 40 DDAB Cc1cc(C)nc(N(C)[C@H]2CCN(CC(F)(F)F)C2=O)n1 97229189 JRZORFQBQKDPKT-JTQLQIEISA-N 302.300 1.693 0 40 DDAB CNc1nc(C2CCN(C(=O)COC)CC2)cn2nccc12 257337644 YTRVNIOQBUQWQD-UHFFFAOYSA-N 303.366 1.123 0 40 DDAB COCC[C@@H](CO)NC(=O)NCc1ccc(Br)o1 252507617 WPQQYWFECJGVSL-QMMMGPOBSA-N 321.171 1.239 0 40 DDAB CC(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cn2)CC[C@@H]1O 257207013 BFYMLRHKXPHJAH-GJZGRUSLSA-N 309.385 1.318 0 40 DDAB O=C(O)c1ccc(O[C@@H]2CN(Cc3cccnc3)C[C@H]2O)cc1 257253785 KAHRQHOULSLZDQ-HZPDHXFCSA-N 314.341 1.404 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccncc2)c1 257304292 SKXIWPLHGRDSRG-KRWDZBQOSA-N 310.401 1.588 0 40 DDAB Cc1cnc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1 257228419 FTUFZWOXPRWKEA-AWEZNQCLSA-N 313.361 1.747 0 40 DDAB Cc1c(C(=O)N2CC[C@@](O)(CN(C)C)C2)oc2ccccc12 257258778 KVMJQKNKUNDOLY-QGZVFWFLSA-N 302.374 1.880 0 40 DDAB CCn1cc(C(=O)N2CCO[C@H](c3nccc(C)n3)C2)cn1 257291139 QFVCCZQXTBTWSG-ZDUSSCGKSA-N 301.350 1.215 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)CC3CCOCC3)CCO2)n1 257211832 CAPXDJRQJWRLHN-CQSZACIVSA-N 305.378 1.380 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@H](CCc3cc(O)ncn3)C2)n1 257326488 WXJPIFYKNWTWJP-AWEZNQCLSA-N 315.377 1.427 0 40 DDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1 585292947 QDEOGAKETNZMOZ-ZSYWTGECSA-N 313.397 1.196 0 40 DDAB COc1ccc2cc(CNC[C@@H]3COC[C@@H](O)[C@H]3O)ccc2c1 585285397 BTQJIDHKMIYQFO-NXHRZFHOSA-N 317.385 1.306 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)n1 56952414 SUYDVQLJGJXACW-CQSZACIVSA-N 303.366 1.514 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCC(=O)NC(C)(C)C 60161354 NIXSNQBMELNHTG-VIFPVBQESA-N 309.414 1.312 0 40 DDAB CN1CCO[C@H](CNCc2cc(Br)cs2)C1 69698946 FOIKVOXKBLBYGG-SNVBAGLBSA-N 305.241 1.931 0 40 DDAB CC(C)(C)c1nc(CN2CCC[C@H](Cn3cncn3)C2)no1 69771448 YEAAYNWPQNNTIF-LBPRGKRZSA-N 304.398 1.871 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)c3cc[nH]n3)CC2)nn1 69869921 XXWHONHWFOMABY-UHFFFAOYSA-N 300.366 1.249 0 40 DDAB CCc1nc(CN2CCCN(C(=O)CCOC)CC2)cs1 70004026 JMPRJPYGRMJIFZ-UHFFFAOYSA-N 311.451 1.776 0 40 DDAB COCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)NC1=S 2145984 PMUCGIIXQRNKAK-POHAHGRESA-N 306.343 1.119 0 40 DDAB CC[C@H](Cn1nc(-c2ccoc2C)oc1=O)NC(=O)C1CC1 12184927 HYNQIKVJYNVYSY-LLVKDONJSA-N 305.334 1.710 0 40 DDAB CCC(Nc1cccc(F)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 18157724 AGZUSQQEOQJBJB-UHFFFAOYSA-N 305.309 1.952 0 40 DDAB CCN(CC)C(=O)Cn1nc2n(CC)c3ccccc3n2c1=O 19524275 FZYMAELYJWFJPH-UHFFFAOYSA-N 315.377 1.339 0 40 DDAB CCn1cncc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 19578527 XVTQHCLZGXTHDS-VIFPVBQESA-N 300.318 1.875 0 40 DDAB CNc1cc(CNC(=O)c2ccncc2)nc(-c2ccncc2)n1 19592345 IWAKPRWHCRRTJP-UHFFFAOYSA-N 320.356 1.905 0 40 DDAB Cc1ncncc1C(=O)N1CC[C@@H](C(=O)NC2CCCC2)C1 19750404 JXYODTMGKLNJDH-GFCCVEGCSA-N 302.378 1.306 0 40 DDAB C[C@@H]1CCCN(C(=O)CSc2nnnn2Cc2ccco2)C1 11743002 CJXPBPQKQQKFNZ-LLVKDONJSA-N 321.406 1.665 0 40 DDAB O=S(=O)(c1ccc2oc(O)nc2c1)N1CCC(CF)CC1 1888863723 AQYVUPSPHGMIHO-UHFFFAOYSA-N 314.338 1.904 0 40 DDAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(O)c1F 1888885513 URWQEHIXSAXYKP-UHFFFAOYSA-N 312.345 1.687 0 40 DDAB CCN=c1nc(N2CCN(c3cc(C)nc(C)n3)CC2)cc[nH]1 1888904352 CNPXESPOYAUFFT-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB Cc1cc(OC[C@H]2CCCN(S(=O)(=O)C3CC3)C2)ccn1 1776001283 JJYWMASGTOYPQA-ZDUSSCGKSA-N 310.419 1.973 0 40 DDAB CCCc1nnsc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 238868466 MHZGNAVDAXYHAD-USWWRNFRSA-N 311.407 1.557 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)CCc3ccc[nH]3)CC[C@@H]2C1 1565553078 JHIBBANPMWODFM-ZBFHGGJFSA-N 305.422 1.517 0 40 DDAB CN(C)c1ccc([C@H](O)CNC(=O)NC2CCOCC2)cc1 225557697 JMJMOAWHSFFDAL-OAHLLOKOSA-N 307.394 1.264 0 40 DDAB Fc1cnccc1CN1CCN(c2ncnc3cnccc23)CC1 2298063160 GGXUOSDEBMFKLO-UHFFFAOYSA-N 324.363 1.881 0 40 DDAB CC(=O)[C@@H]1[C@H](c2cccc(F)c2)NC(=O)N[C@@]1(O)C(F)(F)F 79339 JHDZPJDJVWEPKT-SCVCMEIPSA-N 320.242 1.636 0 40 DDAB O=S(=O)(c1ccc(N2CCC[C@@H](CO)C2)cc1)C(F)F 40438011 XLRCZHVDAANEOF-SNVBAGLBSA-N 305.346 1.892 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1 40487770 APCBBYXDGWOQSN-CQSZACIVSA-N 302.378 1.631 0 40 DDAB CCCN(CCC)C(=O)CN1CCN(Cc2cc(C)on2)CC1 40465945 SUFLHZKSNROQFU-UHFFFAOYSA-N 322.453 1.749 0 40 DDAB COc1ccc2nc(C)c(C(=O)NCCCC(N)=O)cc2c1 40523726 CETALOSEDHYPII-UHFFFAOYSA-N 301.346 1.547 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1C 40511902 GNELHMCOXCUZQV-JTQLQIEISA-N 317.311 1.361 0 40 DDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCSCC1 40542240 QWHCRWOAEWYFQJ-KAMYIIQDSA-N 315.402 1.555 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC=CCC2)CC1 40527887 SFUBQSBIVYDTEI-LBPRGKRZSA-N 300.424 1.273 0 40 DDAB COC(=O)c1sccc1NC(=O)CN1CCC(CO)CC1 46090979 SXDQUPGXLZFCJZ-UHFFFAOYSA-N 312.391 1.178 0 40 DDAB COc1cccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 195361 FMVYSOBYICREKS-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB CN1C(=O)CC[C@H]1Cn1cnc2sc3c(c2c1=O)CCCC3 32517982 JTVLGSXVQPFQPF-JTQLQIEISA-N 317.414 1.958 0 40 DDAB CC(=O)NCCC(=O)NCCCN1CCc2ccccc2C1 46239267 RSGSWKAFSBGMIC-UHFFFAOYSA-N 303.406 1.077 0 40 DDAB CC(C)c1nnc(NC(=O)CSc2nnc(N)s2)o1 37023904 SNRRCSSBYPLMDZ-UHFFFAOYSA-N 300.369 1.358 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccccc1OC 569492 LUURQZWUXBFACK-UHFFFAOYSA-N 320.378 1.219 0 40 DDAB Cn1ncc2c(N(Cc3ccc(C(N)=O)cc3)C3CC3)ncnc21 32779243 ZCFSABGJPSIRRL-UHFFFAOYSA-N 322.372 1.631 0 40 DDAB CCCCS(=O)(=O)NCc1ccc(OC)c(C(=O)OC)c1 46704794 FMBIFTSSBIVFJP-UHFFFAOYSA-N 315.391 1.701 0 40 DDAB Cc1cc(C)n(C[C@@H](C)Nc2nnc(Cl)cc2C(N)=O)n1 76094909 LZENDLCRCQJEED-MRVPVSSYSA-N 308.773 1.543 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c3c2CCC3)cc1 8581317 FLXLKAGXWDEWAL-UHFFFAOYSA-N 304.371 1.973 0 40 DDAB in-vitro CN1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1 61573178 CFYVXBSASRYCJV-UHFFFAOYSA-N 318.402 1.603 0 40 DDAB CC(C)(C(=O)NCCCNS(C)(=O)=O)c1ccccc1F 69487305 WIPAXJGSUCGZDS-UHFFFAOYSA-N 316.398 1.159 0 40 DDAB COc1ccc(S(=O)(=O)n2nnc3cc(C)ccc32)cc1 58902104 LSBLNUJWXWWPMC-UHFFFAOYSA-N 303.343 1.985 0 40 DDAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)N(C)C 555687 HUYURYUXSVKJCM-ZDUSSCGKSA-N 305.403 1.576 0 40 DDAB NC(=O)NC(=O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 53228399 OIZALFFXTVLBQM-CYBMUJFWSA-N 309.341 1.002 0 40 DDAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)CCOc1ccccc1)CCO2 107720196 JZADCMQXOVISQD-BFYDXBDKSA-N 305.374 1.860 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[nH]2)cc1 24725952 BSEAHUZCQLKERK-LBPRGKRZSA-N 317.349 1.184 0 40 DDAB CCN(CC)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 24762021 NRJNLIUMYLYDIC-ZDUSSCGKSA-N 306.341 1.114 0 40 DDAB CN1CCO[C@H](CNC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 106844198 GUCABMACNPQNMG-ZIAGYGMSSA-N 318.339 1.659 0 40 DDAB Cc1ccc(NCC(=O)NCC(F)(F)F)cc1-n1cnnn1 25743532 CNHLSEQNSKHAEJ-UHFFFAOYSA-N 314.271 1.061 0 40 DDAB CCC(CC)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1 3319291 AROZFJDRNQTMMP-UHFFFAOYSA-N 324.352 1.404 0 40 DDAB C[C@@H]1CCCN(C(=O)COC(=O)Cn2cnc3ccccc32)C1 3359157 UXLXOARLEDZZPP-CYBMUJFWSA-N 315.373 1.838 0 40 DDAB Cc1nccc(-c2cccc(NCC(=O)N3CCOCC3)c2)n1 57923453 KQBAWHTUQZJTFM-UHFFFAOYSA-N 312.373 1.723 0 40 DDAB COc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cn1 10261649 KGMSRJBFNPMYEG-UHFFFAOYSA-N 314.349 1.234 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c(O)c1 58223214 TWTVTOLEIINZMU-GFCCVEGCSA-N 320.389 1.778 0 40 DDAB CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccccn3)[C@H](O)[C@H]2O1 22115850 BROBLMZLNSWKNT-ZVDSWSACSA-N 320.389 1.456 0 40 DDAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306126253 DQWFNIANCIONDK-CQSZACIVSA-N 302.374 1.878 0 40 DDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 44948250 VVNRAKDHFAMXTR-SSDOTTSWSA-N 322.308 1.541 0 40 DDAB C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)[C@@H]1CCCO1 27889794 QDJONJBCSXRHBS-YPMHNXCESA-N 316.361 1.748 0 40 DDAB O=C(COC(=O)COc1ccccc1F)NC(=O)c1ccco1 12720388 AMBNOZSXSGVJGN-UHFFFAOYSA-N 321.260 1.297 0 40 DDAB Cn1c(=S)n(CCC(=O)NC(N)=O)c2cc(Cl)ccc21 58357494 DWSXATGAPRVKQM-UHFFFAOYSA-N 312.782 1.948 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)c1ccc(F)c(F)c1 58392394 YSWUTKZSOIVFKM-OAHLLOKOSA-N 324.375 1.896 0 40 DDAB O=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 12892222 SVZIQKPWNPCTMR-LBPRGKRZSA-N 306.387 1.544 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@@H](C)O1 12810411 LGTFJIIJZFUTJO-BETUJISGSA-N 310.419 1.399 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)n1 11535510 QZGACSXYLOOBCK-UHFFFAOYSA-N 316.386 1.572 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2nc1C 29282213 WANMRJZYCDFXDH-SECBINFHSA-N 304.375 1.874 0 40 DDAB CNC(=O)CNC(=O)Nc1c(C)cc(Br)cc1C 48464334 LZYGVAHNBAXDDK-UHFFFAOYSA-N 314.183 1.933 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 69599369 FQFITCTXUGENNL-ZDUSSCGKSA-N 324.446 1.990 0 40 DDAB COC(=O)Cn1cc(/C=C2/NC(=S)NC2=O)c2ccccc21 4082059 PNVPTGRQRADCBE-IZZDOVSWSA-N 315.354 1.160 0 40 DDAB O=C1CNC(=O)N1CCCNC1(c2ccc(F)cc2)CCC1 69777777 YAOYALSWLJFLNT-UHFFFAOYSA-N 305.353 1.736 0 40 DDAB O=C(CN1CCN(CCO)CC1)N1CCC[C@@H]1c1cccs1 65424105 OSPFRWHHLDXPLM-CQSZACIVSA-N 323.462 1.022 0 40 DDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CC[C@@H](C(N)=O)C1 65463691 AOUQKILQNMFRBL-SNVBAGLBSA-N 316.386 1.461 0 40 DDAB Cc1cnc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1 8757350 WVGSEVSLIKJJII-UHFFFAOYSA-N 323.356 1.835 0 40 DDAB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cnn(C)c1 65589769 MBDOSCJJSSTHDC-CYBMUJFWSA-N 309.391 1.386 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 4505375 HOGKXFOVCJMABQ-GFCCVEGCSA-N 317.432 1.111 0 40 DDAB COC(=O)c1cnn(-c2nc3ccc(OC)cc3s2)c1N 8715108 XYBLSEHQPOSKBX-UHFFFAOYSA-N 304.331 1.859 0 40 DDAB c1ccc(OCC[C@H]2CO[C@H]3CN(C4CCOCC4)C[C@@H]23)nc1 306136037 PHDFGMNVJYRMJL-XIRDDKMYSA-N 318.417 1.976 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2C)c1C 5742795 HUHRAFLSUVMUDM-QMMMGPOBSA-N 323.378 1.305 0 40 DDAB O=S(=O)(Cc1ccccc1)NCCNCc1cccnc1 7094872 IILBJSSWNYNORD-UHFFFAOYSA-N 305.403 1.291 0 40 DDAB C[C@@H]1C[C@@H](N2CCN(C(=O)c3ccc(F)cc3F)CC2)C(=O)O1 71185309 AZQAARLXFUNKDC-QMTHXVAHSA-N 324.327 1.427 0 40 DDAB O=C(NCCN1CCOCC1)N(Cc1ccccc1F)C1CC1 67356879 XTVQJWZVNNSCLH-UHFFFAOYSA-N 321.396 1.832 0 40 DDAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1CC 7781810 SMDAXAIYOLTMIN-LBPRGKRZSA-N 309.410 1.771 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N(CC1CCC1)CC(F)(F)F 97012457 QAOASJAGWBIJNN-JTQLQIEISA-N 313.341 1.612 0 40 DDAB CN1CCN(S(=O)(=O)c2cncc(F)c2)c2ccccc2C1 96404056 LQIYTYURNLCLAK-UHFFFAOYSA-N 321.377 1.861 0 40 DDAB C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC(=O)NCC(F)(F)F 96448366 QALSSZJCBCYEMM-RKDXNWHRSA-N 309.332 1.789 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)n1 71823497 YKXQYGDUQWJIDZ-ZDUSSCGKSA-N 318.381 1.573 0 40 DDAB O=C(NCCOCC1CC1)C1CCN(c2cnccn2)CC1 71888490 WDRXZQRZNHSJQO-UHFFFAOYSA-N 304.394 1.236 0 40 DDAB CC(C)c1cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)n[nH]1 71829419 IQYLZOAARUFFDT-CYBMUJFWSA-N 320.437 1.858 0 40 DDAB CN(C(=O)c1cn[nH]n1)[C@H]1CCN(c2ccccc2Cl)C1=O 71896596 PVDYCRWWANQKAD-LBPRGKRZSA-N 319.752 1.336 0 40 DDAB COC[C@@H](C)S(=O)(=O)NCCc1c[nH]c2ccc(F)cc12 71914046 UDCCNKHTGVOKPB-SNVBAGLBSA-N 314.382 1.804 0 40 DDAB Cc1nc(C)n(C[C@H]2CN([C@@H](C)c3cccnc3)CCO2)n1 72253512 QYHGLTUSDFTXIP-BLLLJJGKSA-N 301.394 1.752 0 40 DDAB CC(C)N1C[C@@H](NC(=O)NC[C@H](O)c2ccccc2F)CC1=O 72293217 CVWBEQPXBHNHDK-FZMZJTMJSA-N 323.368 1.168 0 40 DDAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3noc(C4CC4)n3)C2)o1 84259011 PZMUQIOOLUSQOW-CYBMUJFWSA-N 317.393 1.950 0 40 DDAB CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnn(CC)c1 72300148 JETVWDGJDWAEPY-QWHCGFSZSA-N 312.439 1.150 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)CNC(=O)c2ccoc2C)C12CCC2 72304224 DWURNBGVAQPBFL-KBPBESRZSA-N 320.389 1.782 0 40 DDAB Cc1cc(NC(=O)CCN2CCO[C@H](c3nccs3)C2)no1 97203745 KFCVRMFLUGOROC-NSHDSACASA-N 322.390 1.842 0 40 DDAB O=C(NC[C@]1(O)CCSC1)[C@@H]1CCN(C2CCCCC2)C1 304702204 JTXKJBFRASCWTD-CZUORRHYSA-N 312.479 1.625 0 40 DDAB COc1cccc2c1OC[C@H](Nc1cn[nH]c(=O)c1Cl)C2 95349188 ZRNJGZFSQTWTHG-SECBINFHSA-N 307.737 1.848 0 40 DDAB CCOC[C@@H](O)CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 79099848 PXUFHSZIJDXZNB-HIFRSBDPSA-N 300.443 1.257 0 40 DDAB COC[C@@H]1CN(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CCO1 95404481 FIPVQBQWJIDJJH-KWCYVHTRSA-N 308.378 1.960 0 40 DDAB CNC(=O)[C@H]1CCCN1C(=O)NCc1cnc(CC(C)C)s1 95437043 WMLXBSRWKFXPNL-GFCCVEGCSA-N 324.450 1.762 0 40 DDAB C[C@@H](NC(=O)NCCCCc1cnn(C)c1)c1cnn(C)c1 95404574 ITQCKLKEHHJZGA-GFCCVEGCSA-N 304.398 1.537 0 40 DDAB O[C@H](CN(C[C@@H]1CCCO1)[C@@H]1CCSC1)Cn1cccn1 95442044 OZRUNZMIAJKADE-KFWWJZLASA-N 311.451 1.231 0 40 DDAB CO[C@@H]1[C@H](C)[C@@H](NCc2cnc(N3CCOCC3)nc2)C1(C)C 95463784 AEOIXTNIYUHBGU-BPLDGKMQSA-N 320.437 1.462 0 40 DDAB Cn1cnc2cc(C(=O)N3CCCC[C@@H]3CC(N)=O)ccc21 95435510 BYWZATRLEXRZFQ-GFCCVEGCSA-N 300.362 1.443 0 40 DDAB Cc1cc(OCC(=O)N2CCOC[C@H]2C(=O)O)ccc1Cl 88374278 PDUYCJFBZVOVSJ-LBPRGKRZSA-N 313.737 1.339 0 40 DDAB C[C@@H]1CN=C(N2CCN(C[C@@H](O)c3ccccc3)CC2)S1 79496565 CSTYDQFTPPGBGT-UKRRQHHQSA-N 305.447 1.829 0 40 DDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCc1nccs1 79480456 RYMABGGDYXCEQH-UHFFFAOYSA-N 321.402 1.121 0 40 DDAB CCN(CC)S(=O)(=O)CCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 95987893 JIVDOSXSPLCHHY-MCIONIFRSA-N 318.483 1.451 0 40 DDAB COCCO[C@@H](C)C(=O)N1CCCN(c2ccccn2)CC1 95940496 APXWWWWUCUPNSF-AWEZNQCLSA-N 307.394 1.172 0 40 DDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nccc(C)n1 95939329 FKOXKKQOIHAFGP-UHFFFAOYSA-N 309.395 1.444 0 40 DDAB COC(=O)N1CCN(c2ccc(-n3nc(C)cc3C)cn2)CC1 85658232 NRXFJNHSSOAWQD-UHFFFAOYSA-N 315.377 1.773 0 40 DDAB CN(C)[C@@H]1CCC[C@H](NC(=O)NCCOc2cccnc2)C1 89314007 QXZWOXDBDRDGKF-UONOGXRCSA-N 306.410 1.632 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2F)c(=O)[nH]1 75123890 OQQSCTWBDLZRNF-ZDUSSCGKSA-N 308.284 1.425 0 40 DDAB CN(C)[C@@H]1CCCN(C(=O)NCCC(=O)N2CCCCCC2)C1 75128165 BUWMLRCUZYQRRW-OAHLLOKOSA-N 324.469 1.515 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(CC(C)C)n[nH]2)c(=O)[nH]1 75111084 XEBBEJDBJGABFI-UHFFFAOYSA-N 302.378 1.843 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[S@](=O)C(C)(C)C2)s1 89657263 YXJOZZLMSJHZQZ-QGZVFWFLSA-N 307.462 1.588 0 40 DDAB CC(=O)NC(C)(C)c1noc(-c2ccc(-n3ccnn3)cc2)n1 89647106 MXARBCFKAFABAD-UHFFFAOYSA-N 312.333 1.689 0 40 DDAB C[C@](O)(CNS(=O)(=O)Cc1ccon1)c1ccsc1 89901335 YPJKBRBWZZNBFA-NSHDSACASA-N 302.377 1.063 0 40 DDAB COc1cc(C)c(CN2CCN(CCC(N)=O)CC2)cc1OC 25754256 BMIKSRJKVIJFJD-UHFFFAOYSA-N 321.421 1.005 0 40 DDAB COC[C@@H](C)NC(=O)N1CCC(CN)(c2ccccc2)CC1 1553470674 JLFGTLLATGIUMS-CQSZACIVSA-N 305.422 1.723 0 40 DDAB Cc1noc(COCC(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)n1 556904510 HQEPRZPKGXUBSN-AWEZNQCLSA-N 319.365 1.238 0 40 DDAB CC(=O)c1ccccc1OC[C@@H](O)CN1C[C@H](C)O[C@@H](C)C1 34118505 KFLMJLOBTBXGAN-YDHLFZDLSA-N 307.390 1.738 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCCOc2ccc(F)cc2)CC1=O 32816723 BGMOXKLFRHZUJM-LBPRGKRZSA-N 308.353 1.578 0 40 DDAB Cc1cccc(C(=O)NCCNC(=O)c2cc(C)n(C)n2)c1 32610458 RRYBTGBWKMNCPC-UHFFFAOYSA-N 300.362 1.197 0 40 DDAB NC(CO)(CO)CCc1ccc(CCCCCC(=O)O)cc1 77292920 IBOSMSDOOGFKFH-UHFFFAOYSA-N 309.406 1.489 0 40 DDAB in-vitro COc1ccc2c(c1)OC[C@@H]2CC(=O)N1C[C@H](OC)[C@H](OC)C1 558925022 IQNRUBTXWXYWBJ-KNXALSJPSA-N 321.373 1.434 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@@H](Oc2cnsn2)C1 675008044 RJPXAFRWEPELHT-MRVPVSSYSA-N 317.417 1.442 0 40 DDAB Cc1nc(NC(=O)c2cccnc2)sc1SCC(N)=O 31797903 FVYFIQLWCHZAFR-UHFFFAOYSA-N 308.388 1.676 0 40 DDAB CC(=O)c1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 226954327 KFLMJLOBTBXGAN-KCQAQPDRSA-N 307.390 1.738 0 40 DDAB CN(C)Cc1csc(CN2CCN([C@@H]3CCNC3)CC2)c1 97173014 ZPLDPBCANSTTJT-OAHLLOKOSA-N 308.495 1.289 0 40 DDAB C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@H](O)CO 96455460 JZKMUAYVSGBSLU-IONNQARKSA-N 313.202 1.822 0 40 DDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1cnoc1)C2 96220220 KMSJITYJSGCZGJ-NVXWUHKLSA-N 319.405 1.495 0 40 DDAB CCOCCO[C@H](C)C(=O)NC1(C(=O)O)Cc2ccccc2C1 532591990 BGIZXXULTVJPEQ-GFCCVEGCSA-N 321.373 1.166 0 40 DDAB CCOC(=O)c1c(C)nc2nc(SC)nn2c1/C=C/N(C)C 95115767 GWKJKCYIFNEZDK-BQYQJAHWSA-N 321.406 1.864 0 40 DDAB Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(Cc3nccs3)C2)o1 96065651 DZHBYTLRSDJOQF-QJPTWQEYSA-N 306.391 1.982 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96048357 XYKSXVAPKGIRSQ-XJKSGUPXSA-N 312.377 1.507 0 40 DDAB NC(=O)C1CCN(C(=O)COc2cccc3c2CCCC3)CC1 96125661 YBYPKRDXIYMNHV-UHFFFAOYSA-N 316.401 1.668 0 40 DDAB CN(C)C(=O)[C@H]1CCC2(CCN(C(=O)C3CCOCC3)CC2)O1 96087244 RUDUXRZSKRJJFA-CQSZACIVSA-N 324.421 1.041 0 40 DDAB Cn1cccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1=O 97101195 UOMQFHLAAKOKNO-AWEZNQCLSA-N 318.421 1.725 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@H](CN2CCOCC2)C1 96428462 QXDRPFKATAMHKS-GFCCVEGCSA-N 316.448 1.091 0 40 DDAB CC(C)c1cc(C(=O)N[C@@H](CO)Cc2ccccc2)n(C)n1 95980994 KWSWVNWBYCKTLX-CQSZACIVSA-N 301.390 1.877 0 40 DDAB COc1ccc(N2CCC[C@H](C(=O)N3CCSCC3)C2)nn1 95480543 JBKGJHRAIUQRIX-LBPRGKRZSA-N 322.434 1.277 0 40 DDAB COCC[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn21 247848859 NVQAMBJTFURWJL-CYBMUJFWSA-N 322.390 1.060 0 40 DDAB Cc1ccn(CCC(=O)N[C@H]2CCCN(c3ccccn3)C2)n1 257319829 VUFLEMNXXSOFCA-HNNXBMFYSA-N 313.405 1.762 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cnc(-c3ccnn3C)cn2)C1 257246763 IVSXRXINTVLALY-GFCCVEGCSA-N 315.377 1.230 0 40 DDAB Cc1nc(N)cc([C@H]2CCCN2C(=O)CN(C)C2CCCC2)n1 257217381 CYRZTYCTJKFPQM-OAHLLOKOSA-N 317.437 1.905 0 40 DDAB Nc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)cc2ccnn12 257284468 PCUSHGSOWDCZAE-CYBMUJFWSA-N 322.372 1.726 0 40 DDAB NC(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccncc2)s1 257317929 VLTACUKUWSDHFO-JTQLQIEISA-N 302.359 1.614 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)c1 257285970 PJOXUISGJDKALH-AWEZNQCLSA-N 301.394 1.704 0 40 DDAB COc1ccc(C(=O)O)cc1NS(=O)(=O)C[C@H](C)OC 282284755 VHKBDVZXZPCACG-QMMMGPOBSA-N 303.336 1.170 0 40 DDAB Cc1nsc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 96026090 KVAHFCMZIPLFEG-UHFFFAOYSA-N 306.347 1.038 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1cnn([C@@H]2CCOC2)c1 96123254 YWCCCHYNCXXOIQ-LLVKDONJSA-N 312.351 1.250 0 40 DDAB O=S1(=O)CC[C@H](NCCNCc2ccccc2Cl)C1 575423222 ZIXFIDGICCTSND-LBPRGKRZSA-N 302.827 1.206 0 40 DDAB CCCNC(=O)C1=NO[C@]2(CCCN(c3ncccn3)C2)C1 585101302 WVKFUYLCWIPQLJ-OAHLLOKOSA-N 303.366 1.118 0 40 DDAB O=C(NCCS(=O)(=O)NCC1CCC1)[C@H]1C[C@H]2CC[C@H]1C2 108348836 ZQOPFRIBFCGQHX-IHRRRGAJSA-N 314.451 1.258 0 40 DDAB CCNc1ccc(Cl)cc1C(=O)NC[C@@H]1CN(C)CCO1 91679814 LFETWKVBDHHYLR-GFCCVEGCSA-N 311.813 1.832 0 40 DDAB COC[C@@](C)(O)CNC(=O)c1c(F)cccc1Br 195534840 JSKXWIWNBFGHIO-LBPRGKRZSA-N 320.158 1.715 0 40 DDAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccncc1)CC2 12144565 NUKKKEXVVVSAHE-UHFFFAOYSA-N 311.389 1.323 0 40 DDAB COc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 12144618 AGVNCSZAWYJSFT-UHFFFAOYSA-N 309.329 1.805 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 16959167 PWWUFPCHCVHMRV-GFCCVEGCSA-N 316.810 1.380 0 40 DDAB C[C@@H](NC(=O)c1cccnc1)c1cc(=O)[nH]c(-c2cccnc2)n1 19458463 ALWXUPJIUVVZNA-LLVKDONJSA-N 321.340 1.718 0 40 DDAB O=C1NCCC[C@H]1C(=O)NCCc1c[nH]c2ccc(O)cc12 1507230 ZIMKJLALTRLXJO-GFCCVEGCSA-N 301.346 1.058 0 40 DDAB biogenic CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)o2)cc1 226302081 JDHDQHHTAYTNLR-UHFFFAOYSA-N 309.299 1.470 0 40 DDAB O=C(C[C@H](NC[C@@H]1CCCO1)C(=O)O)Nc1ccccc1F 10186444 LEQYWKVUNFPLOQ-GWCFXTLKSA-N 310.325 1.376 0 40 DDAB Cc1cccc(O[C@H]2CCN(C(=O)N3CCN(C)CC3)C2)n1 238920239 SYNOKQDBWOJAOV-AWEZNQCLSA-N 304.394 1.211 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](OCCO)c1ccsc1 575622164 XADZJRFXKDDXCD-ZDUSSCGKSA-N 323.418 1.578 0 40 DDAB COc1cccc(C(=O)NCc2n[nH]c(=O)c3ccccc23)c1 4317451 KNRVSNRTZSFBIU-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CCOC(=O)c1cc2c3c(c(N)c(Cl)c(N)c3n1)N(C)C2=O 1776011330 QVNKDRRHTCBQAH-UHFFFAOYSA-N 320.736 1.819 0 40 DDAB CN([C@@H]1CCCN(Cc2cncs2)C1)S(=O)(=O)C1CC1 2086860343 NDYDASFICQRELM-LLVKDONJSA-N 315.464 1.532 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1[C@H]2CC[C@H]1COC2 101467130 IVNNUUVMLAESRB-QWRGUYRKSA-N 311.359 1.010 0 40 DDAB O=C(NCc1cn(-c2cccnc2)nn1)NCc1cccs1 575617497 DILDTBILLYIHMD-UHFFFAOYSA-N 314.374 1.723 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CC(Nc2ccncn2)C1 606440620 LGMWEVBMAMEAME-UHFFFAOYSA-N 312.329 1.071 0 40 DDAB O=C(O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)O 105751645 BVVRKMRZOCMUKI-ZETCQYMHSA-N 306.101 1.651 0 40 DDAB O=C(NC[C@H](O)COc1cccc(F)c1)Nc1nncs1 40553961 YXGVFCBTJPOTCL-VIFPVBQESA-N 312.326 1.239 0 40 DDAB CC(=O)Nc1ccc(OCC[n+]2cccc(C(=O)O)c2)cc1 297624 PETJZLBZLNLLDL-UHFFFAOYSA-O 301.322 1.710 0 40 DDAB Cn1nc2c(cc1=O)CN(C(=O)c1c(F)ccc(F)c1F)CC2 97097042 FYTMBJUEAPZBAF-UHFFFAOYSA-N 323.274 1.396 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N(C)Cc2ccsc2)C[C@@H](C)O1 32895696 ZTQYSNLSBDOIPA-GHMZBOCLSA-N 304.437 1.534 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccccc4)C(=O)[C@H]13)O2 4044225 KNDMWRNUGYJRIY-UDUPSFLGSA-N 313.353 1.703 0 40 DDAB biogenic c1coc(-c2nc(N3CCOCC3)nc(N3CCOCC3)[o+]2)c1 4280420 XCARHSOPNQJTLV-UHFFFAOYSA-N 319.341 1.284 0 40 DDAB OCCN[C@H](Cc1ccccc1)c1ccccc1OCCO 6580816 XITBODHYUPWWIX-QGZVFWFLSA-N 301.386 1.923 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)NC1CCCCC1 32958230 XJVNPZAZCWKJPL-UHFFFAOYSA-N 306.362 1.622 0 40 DDAB CN(C)[C@@H](CNC(=O)CSc1ncccn1)c1ccccc1 6913405 LUSMPTABJJQCQQ-AWEZNQCLSA-N 316.430 1.988 0 40 DDAB O=C(NCCNc1ncccn1)c1ccc(Br)o1 32913532 OOKAHJHSPYPJKG-UHFFFAOYSA-N 311.139 1.674 0 40 DDAB CCc1c(C(=O)NC[C@H]2CCOC2)cnn1-c1ccccn1 41366540 MLANXGQJKMDVIL-GFCCVEGCSA-N 300.362 1.596 0 40 DDAB COCCN1CCC[C@@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1 75611859 YGIDRXAKFBBQRT-SMDDNHRTSA-N 324.425 1.762 0 40 DDAB COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 798162 DZOFFEQVUCGOGE-UHFFFAOYSA-N 318.354 1.843 0 40 DDAB O=C(OC[C@@H]1CCCO1)c1ccccc1CN1C(=O)CNC1=O 23204001 ZHICJAMEFQVUTM-LBPRGKRZSA-N 318.329 1.074 0 40 DDAB O=C1CCCN1S(=O)(=O)c1ccc(Br)s1 12375010 YSJGXJJZTSGEDI-UHFFFAOYSA-N 310.194 1.822 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 24482165 USMUMIWBLSZTPB-CQSZACIVSA-N 314.393 1.085 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cncnc3C)CCO2)n1 76046036 HGZMFVIJHLFNOV-LBPRGKRZSA-N 316.365 1.069 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)/C=C/c3ccccc3)C2=O)cn1 76016998 FPCJQZOMKJGPKA-KIUWMYQTSA-N 310.357 1.355 0 40 DDAB Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CC(=O)N(C)C2)o1 76067361 ZIPBJQGROQCKPM-NEPJUHHUSA-N 308.403 1.683 0 40 DDAB COC(=O)NCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 55174853 LQUVPXTXWSDHMV-INIZCTEOSA-N 313.357 1.776 0 40 DDAB CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccnn1C 24650286 GKSPCGNGMFXKKO-UHFFFAOYSA-N 321.402 1.534 0 40 DDAB CC(C)NC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 55339138 IZFTUMSEEALUAY-UHFFFAOYSA-N 319.405 1.594 0 40 DDAB CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1 20029309 WDCUZOIOBDUMTA-MRXNPFEDSA-N 320.433 1.620 0 40 DDAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2Cc3ccccc3O2)no1 25263725 QEAYMSRGPZECRG-GXFFZTMASA-N 316.313 1.857 0 40 DDAB CC(=O)NCCCNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 43851169 HLBWJTPBCBNQMZ-UHFFFAOYSA-N 315.276 1.656 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccc(NC2CC2)nc1)c1ccccc1 57196331 OFMWKYNRGNSCLQ-HNNXBMFYSA-N 310.357 1.612 0 40 DDAB CN(C)C(=O)[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 107806586 VLNCINFIXCLFSO-BFHYXJOUSA-N 321.352 1.535 0 40 DDAB C[C@@H](NC(=O)COn1nnc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 108884626 OCNKOKCBEKYTDS-RFGFWPKPSA-N 314.389 1.801 0 40 DDAB COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1cnn(C)c1C 108463579 VGPJCRMJNBVSOM-GZBFAFLISA-N 319.405 1.981 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 57727865 VLPVXCMDLPALII-RYUDHWBXSA-N 309.410 1.602 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)no1 44633781 MOFQFTQBVOFEDO-SMDDNHRTSA-N 303.362 1.657 0 40 DDAB c1cc(CN2CCO[C@@H]3CN([C@H]4CCOC4)CC[C@@H]3C2)ccn1 107256312 SQFTZERPTGBNTH-FGTMMUONSA-N 317.433 1.393 0 40 DDAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)NC(=O)NC(C)(C)C 12516059 YCPKICRGWUWLQZ-JTQLQIEISA-N 321.377 1.883 0 40 DDAB C[C@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)[C@H](C)CO1 44916512 ZVYBLSDILWIHBM-ZJUUUORDSA-N 323.374 1.201 0 40 DDAB CN(C(=O)NC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 3206593 PTMQORJJOVMVGC-UHFFFAOYSA-N 305.743 1.473 0 40 DDAB C[C@H](NC(=O)Cn1cnnn1)c1cc(F)c(Cl)cc1Cl 12685039 CKYNGUGZIKSTOX-LURJTMIESA-N 318.139 1.996 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC(C3OCCO3)CC2)cc1 69270515 AMZXCJMIRKZCPN-UHFFFAOYSA-N 304.390 1.978 0 40 DDAB COc1cccc(OC)c1C(=O)OCC(=O)NCc1ccco1 3317808 FITPTPDJHAWSDX-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB CN(C)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1 3317114 CRDOCKYBJLPVJK-UHFFFAOYSA-N 302.330 1.819 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)NCc1cc[nH]n1)CC2 48277803 QJCMVYKXZBIIKZ-UHFFFAOYSA-N 316.361 1.695 0 40 DDAB Cc1nc2ccccc2nc1CN1CCO[C@@H](CN(C)C)C1 70016127 MBEPDHFFTMRFTE-AWEZNQCLSA-N 300.406 1.701 0 40 DDAB c1ccc(-n2nnnc2N[C@H]2CCCN(c3ncccn3)C2)cc1 48310713 JPPDZJSIOFFPCT-ZDUSSCGKSA-N 322.376 1.533 0 40 DDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCC1 12935819 FHSJLDICYWACES-UHFFFAOYSA-N 315.373 1.698 0 40 DDAB CC(C)(C)c1nc(CN2CCO[C@@H](Cn3cccn3)C2)no1 69436954 KWCSUMOCKJRQPJ-GFCCVEGCSA-N 305.382 1.465 0 40 DDAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCCC1 5035348 KXSTZWGWVDYONP-LLVKDONJSA-N 303.391 1.765 0 40 DDAB O=C(c1ccco1)N1CCN(Cc2nnsc2Cl)CC1 39519483 OSVDOIOXHJFKOU-UHFFFAOYSA-N 312.782 1.743 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1cc(C)cc(C)n1)C(F)(F)F 6130834 SXBLEHBDPPXUDY-GFCCVEGCSA-N 319.283 1.678 0 40 DDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCC(C)C 4370652 WYDGSVJWWBSHBT-UHFFFAOYSA-N 317.393 1.349 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)N(Cc1ccccn1)C1CC1 65434518 ZKWCTJIYZRVNRO-CQSZACIVSA-N 302.378 1.424 0 40 DDAB O=C(CN1C(=O)CSC1=O)Nc1ccc2c(c1)OCCO2 4409640 AJOBPAWMSQNFDA-UHFFFAOYSA-N 308.315 1.092 0 40 DDAB Cc1nnc([C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)o1 65588423 HHSCOAPJWHTRDC-DGCLKSJQSA-N 308.382 1.010 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)NC(C)(C)c2noc(C)n2)c1 65551312 IHNQPMVUSRRTHJ-UHFFFAOYSA-N 323.374 1.794 0 40 DDAB C[C@H](NC(=O)NCc1cccnc1)C(=O)N1CCCC[C@H]1C 69770194 YVCAWCZRARLLJS-OLZOCXBDSA-N 304.394 1.670 0 40 DDAB Cc1ccc(-n2nnnc2N[C@@H]2CCc3nc(C)nn3C2)cc1 69702864 TVRIFZNWYQMKTN-GFCCVEGCSA-N 310.365 1.298 0 40 DDAB O=C(NCCNC(=O)c1nc(C2CC2)no1)c1ccc(F)cc1 15082450 QADKTYGLGGSHCJ-UHFFFAOYSA-N 318.308 1.246 0 40 DDAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 9114597 XGZOVLJJQYXWPE-BLLLJJGKSA-N 322.430 1.131 0 40 DDAB CC(C)OCC[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 72275573 YLHPQOFFBIGZAM-CYBMUJFWSA-N 307.394 1.590 0 40 DDAB C[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCCC1 72293121 USIOPHJORQTWAE-CABCVRRESA-N 305.426 1.706 0 40 DDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](n2cncn2)C1 72234929 YLWRKJVCJLPBJK-LBPRGKRZSA-N 316.409 1.786 0 40 DDAB Cc1nc2c(cc1-c1nc3ccccc3[nH]1)c(=O)n(C)c(=O)n2C 9338068 TXWXMQIGHKGWRN-UHFFFAOYSA-N 321.340 1.484 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCC1 72234949 IZQNEIFMJZMFQN-HOTGVXAUSA-N 319.453 1.952 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(C(N)=O)c1 9458073 GDCBOGPFAKVOOH-MEBBXXQBSA-N 312.325 1.953 0 40 DDAB O=C(c1cc[nH]n1)N1CCN(c2nncc3ccccc23)CC1 72292957 WJWMDKILMSSMSK-UHFFFAOYSA-N 308.345 1.315 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-n3cnnc3)cc2)cn1 71796673 SEWFMUTYOFYFBH-INIZCTEOSA-N 322.372 1.978 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[C@H](N(C)C)C1 93990117 HISVCSOJQHCGRM-QEJZJMRPSA-N 303.406 1.404 0 40 DDAB C[C@H]1CN(Cc2cn(-c3ccccc3)nn2)CCN1C[C@@H](C)O 71864624 CSEANJCHXIBHTN-LSDHHAIUSA-N 315.421 1.154 0 40 DDAB CC(=O)N(CCC(=O)NCc1nc(C)no1)Cc1ccccc1 71847394 HJWRAKFZYROTHC-UHFFFAOYSA-N 316.361 1.433 0 40 DDAB CC(C)Cc1ncc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)s1 97166236 BBHUFBFANWRONO-CMPLNLGQSA-N 318.464 1.938 0 40 DDAB COc1ccc2c(c1)C[C@@H](C(=O)NCc1cnn(C)c1)CO2 97152766 GYRUAOKIDKWRCA-CYBMUJFWSA-N 301.346 1.296 0 40 DDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1cn[nH]c1 71908624 QIEFYFPOJXRIHD-GFCCVEGCSA-N 303.322 1.315 0 40 DDAB CC(C)CCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O 78996963 SIIYETLNPSKEIA-YOEHRIQHSA-N 304.390 1.313 0 40 DDAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@H](O)[C@H](O)C1 72311963 DYTNMHPWVHSDTP-FXAINCCUSA-N 318.295 1.070 0 40 DDAB Cc1ccsc1CN(C)C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O 97235127 JCYABHWPHQPCBY-MFKMUULPSA-N 310.419 1.291 0 40 DDAB C[C@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCc2ccccc2C1 78927800 RGZBJANEXACSTR-RHSMWYFYSA-N 324.428 1.761 0 40 DDAB Cc1nc(NS(=O)(=O)c2cnc[nH]2)ccc1Br 78949534 SWDQMWCUWJSRFF-UHFFFAOYSA-N 317.168 1.676 0 40 DDAB C[C@H](COc1cccc(F)c1)NC(=O)NCC[S@](C)=O 95398061 LVEVXQUVUKZLGO-CFMSYZGJSA-N 302.371 1.271 0 40 DDAB CC(=O)NCC1CCN(CC(=O)N(C)CC2CCCCC2)CC1 84753057 KBCVDJOKKSJWFK-UHFFFAOYSA-N 323.481 1.873 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)CNC(=O)CCC(C)C)C2)n[nH]1 95415941 WPDMBQTZGOXNKX-ZDUSSCGKSA-N 321.425 1.372 0 40 DDAB Cc1ccnc([C@H](NC(=O)[C@H](C)N2CCSCC2)C2CC2)n1 95979748 MAJONZZQPNEHGQ-GXTWGEPZSA-N 320.462 1.790 0 40 DDAB Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCNC(=O)CC2)c1 74769234 IFILELRORQPWOS-AWEZNQCLSA-N 303.406 1.766 0 40 DDAB COC(=O)[C@H]1CCN(C(=O)Cc2ccon2)c2ccccc21 89226665 YAOPBPXFFWNAPN-ZDUSSCGKSA-N 300.314 1.911 0 40 DDAB CCOC(=O)c1sc2ncnc(NCCNC(C)=O)c2c1C 9952939 NDJGWPHCGZAYFQ-UHFFFAOYSA-N 322.390 1.724 0 40 DDAB COc1ccccc1CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 89473616 CTZOFQIKVMDQKK-AWEZNQCLSA-N 317.389 1.158 0 40 DDAB Cn1ncnc1CS(=O)(=O)c1nc(CCC2CCCC2)n[nH]1 75093500 UZWZNWBXPAMUSE-UHFFFAOYSA-N 324.410 1.030 0 40 DDAB O=C(Nc1ccccn1)[C@H]1COCC(=O)N1Cc1ccccc1 89834835 KOBILAKWFQXCJP-CQSZACIVSA-N 311.341 1.448 0 40 DDAB C[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)Cc1cccs1 89904268 AMBKGTUCRJISMM-VXGBXAGGSA-N 321.446 1.989 0 40 DDAB CCCc1noc(CN(C)[C@H]2CS(=O)(=O)c3ccccc32)n1 89960506 FMPPJWZLSRLELT-LBPRGKRZSA-N 321.402 1.983 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CN2CCN(C)C[C@H]2C)cc1 89939070 CUKGJWUQCFEDHX-OAHLLOKOSA-N 319.449 1.726 0 40 DDAB Cn1cc(C(=O)Nc2c[nH]cc(Br)c2=O)ccc1=O 89990100 ZGEZGNCSSJRZRT-UHFFFAOYSA-N 324.134 1.088 0 40 DDAB C/C=C/c1ccc(OC[C@@H](O)CNC(C)(C)CO)c(OC)c1 32682374 NJHMHZOAKJEEST-GJBLVYBDSA-N 309.406 1.829 0 40 DDAB Cn1c(=O)[nH]c2cc(C(=O)OCCCn3cccn3)ccc21 79102104 QUMQYYVKHNVWHB-UHFFFAOYSA-N 300.318 1.310 0 40 DDAB C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc(CO)ccc1F 528465377 IRMAXLUJHXTZOA-ZDUSSCGKSA-N 310.413 1.595 0 40 DDAB NC(=O)CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 72383052 DFTWBUMQQPTDOI-NSHDSACASA-N 303.391 1.904 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC(c2cnccn2)CC1 72385993 VHKJWAAOBGHQRV-UHFFFAOYSA-N 321.406 1.087 0 40 DDAB Cc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N(C)C)n1 72378776 MYNAHIYFFLEHBN-AWEZNQCLSA-N 314.393 1.196 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)NCCN(C)C)cc1OC 44849312 GJWCBTURYDWTQJ-NSHDSACASA-N 312.435 1.862 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNCCN1CCOCC1 83264782 MZONBSRPKMFGTI-CQSZACIVSA-N 313.442 1.308 0 40 DDAB CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225753726 OHYOTOPKSGDIMG-UHFFFAOYSA-N 308.403 1.674 0 40 DDAB CCn1nncc1CNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 528059407 CRFXSBHUKBPMDY-DDHJSBNISA-N 301.394 1.652 0 40 DDAB CCn1cc(NC(=O)[C@]2(C)Oc3ccc(C)cc3NC2=O)cn1 40779369 MEIDJGCZNNINQH-INIZCTEOSA-N 314.345 1.940 0 40 DDAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 571526456 UDVPMRUIWACGJL-ZIBATOQPSA-N 321.373 1.866 0 40 DDAB O=S(=O)(C1CC1)N1CCN(Cc2cccc3cc[nH]c23)CC1 529638802 BLYSLPZLGVQFJT-UHFFFAOYSA-N 319.430 1.778 0 40 DDAB CCS(=O)(=O)c1ccccc1N(C)CCN1CCOCC1 195576166 XVWGLPYGPCUVNL-UHFFFAOYSA-N 312.435 1.249 0 40 DDAB 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1.076 0 40 DDAB O=C1COc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2N1 29010032 NGVCZDQOULFRBJ-WDEREUQCSA-N 316.313 1.623 0 40 DDAB O=c1[nH]c(CN2CCC3(CC2)OCCO3)nc2ccccc12 32825290 NHAVIPDFXSSRIP-UHFFFAOYSA-N 301.346 1.262 0 40 DDAB Cn1cnc(CN2CCCC[C@@H]2c2cc(O)n3ccnc3n2)c1 2037845571 COUJILBSNJGJLA-CQSZACIVSA-N 312.377 1.896 0 40 DDAB CN1C[C@]2(COCC1=O)CN(C(=O)CCC1CCCC1)CCO2 2037985181 ZWQAUEPRSGGTIP-QGZVFWFLSA-N 324.421 1.043 0 40 DDAB COC(=O)COC(=O)CCC(=O)c1ccccc1OC(C)=O 2060989906 PWDACOVBYPBIQH-UHFFFAOYSA-N 308.286 1.291 0 40 DDAB COc1ccc(CN2CCN(c3nccc(C)n3)C[C@H]2C)cn1 2086910637 APBZVUYGXDKZGX-CQSZACIVSA-N 313.405 1.899 0 40 DDAB O=C(c1cnn2c1CN(C(=O)C1(F)CC1)CCC2)N1CCCC1 1565544167 UHKHWRSELRBNON-UHFFFAOYSA-N 320.368 1.354 0 40 DDAB CCN1C[C@H]2CN(C(=O)c3ccc(OC(C)=O)cc3)C[C@@H](C1)O2 1565549883 HSYBOSUQEJLRQE-IYBDPMFKSA-N 318.373 1.157 0 40 DDAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421400 GKFMCLXMGGPQBL-UHFFFAOYSA-N 313.317 1.726 0 40 DDAB Cc1cnnn1C[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccco1 503788812 MXKSDDDDRZCLNT-GUTXKFCHSA-N 316.361 1.499 0 40 DDAB CC[C@@H]1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1 30144144 YJEWIDJXYMXDQQ-CYBMUJFWSA-N 312.435 1.835 0 40 DDAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 40105112 BSSNPUUMHJQHCS-UHFFFAOYSA-N 324.446 1.632 0 40 DDAB O=C([C@H]1CCCN(Cc2nc(C3CC3)no2)C1)N1CCOCC1 40493797 QIVMZERZMNGIGO-ZDUSSCGKSA-N 320.393 1.018 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCc1cccnc1OC1CCCC1 40529213 WJBLHTWHMOEGJT-JTQLQIEISA-N 306.366 1.076 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)NCc2c(C)noc2C)no1 75606984 HRNPLXZSBSTZRI-ZDUSSCGKSA-N 319.365 1.436 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2cncn2)cc1 29433106 AFUGMIZZVUEFPK-UHFFFAOYSA-N 319.346 1.673 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 1098748 WUGJBOLEJDOLMJ-OXIQGZBJSA-N 305.717 1.145 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(N)nc(N)n1 1640306 XQFUXZQEMYHTBY-UHFFFAOYSA-N 308.729 1.015 0 40 DDAB in-vitro Cc1nnc2n1CCN(C(=O)[C@@H]1Cc3ccccc3S1)C2 69464567 PYYPDJIUOFESPN-ZDUSSCGKSA-N 300.387 1.646 0 40 DDAB COc1cccc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)c1 10298391 WXWXBEYOGBMCRR-LBPRGKRZSA-N 311.305 1.180 0 40 DDAB Cc1ccc(-c2nnc([C@H](C)N3CC[C@H](C(N)=O)C3)o2)cc1 52942387 GIABEFAOIPLKIG-AAEUAGOBSA-N 300.362 1.913 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 12345726 QKTRNOUOPHQMMU-CQSZACIVSA-N 319.336 1.312 0 40 DDAB COc1ccccc1CC(=O)Nc1ccccc1-n1cnnn1 47327296 ISUHYRSRZOMFIC-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 28577695 ZYYMQCWTXYXUBF-UWVGGRQHSA-N 301.412 1.318 0 40 DDAB C[C@@H](Nc1ncnc2[nH]cnc12)c1ccc2c(c1)NC(=O)CO2 47511294 YMBZZMMOIBXXSX-MRVPVSSYSA-N 310.317 1.857 0 40 DDAB C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cccc(Cl)c1 47615261 YLBPMAYONIXTLS-SECBINFHSA-N 304.799 1.457 0 40 DDAB Cc1cc2n(C[C@H](O)COc3ccccc3)c(C)cc(=O)n2n1 23873854 QOLSMOGURJKJSP-AWEZNQCLSA-N 313.357 1.553 0 40 DDAB CC[C@@H](CO)NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 42906418 HMXSNQKCKKQJER-AWEZNQCLSA-N 317.393 1.454 0 40 DDAB 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1.481 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c1C 27393627 KYLGRGITVLSDSC-GJZGRUSLSA-N 316.401 1.952 0 40 DDAB O=C(Cc1ccccn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721033 JSHUTTBUZUKYGV-XYJFISCASA-N 316.401 1.809 0 40 DDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)c3ccc(F)cc3F)CCO2)n1 76048136 LUSRRZWGYZOZKI-UONOGXRCSA-N 324.331 1.498 0 40 DDAB CCN(CCNC(=O)NCc1ccc(OC)c(OC)c1)C1CC1 58268491 XDJCATKTNOPXHQ-UHFFFAOYSA-N 321.421 1.987 0 40 DDAB COc1cc(C(=O)N[C@H]2CCCNC2=O)ccc1OC(C)C 58228360 HYFIFHHZSNBHOE-LBPRGKRZSA-N 306.362 1.491 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(OC(F)F)c1C 58342342 KJQDBIRCCLQTOD-QMMMGPOBSA-N 301.293 1.852 0 40 DDAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccco1 12778816 ITIZZMDZCYRXHD-JTQLQIEISA-N 314.345 1.908 0 40 DDAB Cc1c(C(=O)N2C[C@@H](C)OC[C@H]2C)nnn1-c1ccc(F)cc1 45899408 IZJHOJQCYGIRGY-GHMZBOCLSA-N 318.352 1.964 0 40 DDAB CNC(=O)COc1ccccc1CNC[C@H](C)Cn1ccnc1 62254242 XODCCDQYVKHOFP-AWEZNQCLSA-N 316.405 1.434 0 40 DDAB COC(=O)c1cc(C(=O)Nc2nc[nH]n2)n(-c2ccccc2)n1 69536577 HWBFGMRYRYSQJO-UHFFFAOYSA-N 312.289 1.029 0 40 DDAB CNC(=O)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 13023154 YNAIUZIIFPREAT-SNAWJCMRSA-N 323.403 1.584 0 40 DDAB NC(=O)c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 8746710 NXLBCPQGZLUYLW-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB CCn1c(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc21 4484496 KLECAXDBIXJEJI-SECBINFHSA-N 306.391 1.992 0 40 DDAB O=C(CNC(=O)NCC[C@H]1CCCO1)NCCc1ccccc1 65541529 NFAZDYVWKIBXQC-OAHLLOKOSA-N 319.405 1.214 0 40 DDAB O=C(O[C@@H]1CCOC1=O)c1ccccc1S[C@@H]1CCOC1=O 6424208 IQBPXCQXTKECQV-ZYHUDNBSSA-N 322.338 1.567 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 92569841 NPZBXNMNGBZICP-QWRGUYRKSA-N 316.448 1.392 0 40 DDAB COc1cccc(CNC(=O)[C@H](C)NC(=O)c2ccco2)c1 6882027 BIMKIZACGLVLMW-NSHDSACASA-N 302.330 1.723 0 40 DDAB Cc1cccc(-c2nnc(SC[C@@H]3CNC(=O)O3)n2C)c1 6949239 KMJWCROQFSMMQE-NSHDSACASA-N 304.375 1.991 0 40 DDAB CCOCC(CCCC(=O)OCC)(COCC)NC(C)=O 67172609 GIOJLVHOLICTJK-UHFFFAOYSA-N 303.399 1.668 0 40 DDAB O=C(NC[C@H](O)CO)Nc1cc(F)ccc1N1CCCCC1 91173907 QRDFDMPBYUVFBO-LBPRGKRZSA-N 311.357 1.291 0 40 DDAB O=S(=O)(NCc1nnc2ccccn12)c1ccc(Cl)cc1 8189411 ISUZHZMVDKLTKI-UHFFFAOYSA-N 322.777 1.861 0 40 DDAB COc1cccc2c1CCCCN2C(=O)c1ccc(=O)n(C)n1 96484070 LWNGSKOIZBZYKR-UHFFFAOYSA-N 313.357 1.772 0 40 DDAB COCc1nc(C(=O)N2CCC[C@@H]2Cn2cccn2)cs1 71866690 YSCKCGYEWXTSBB-LLVKDONJSA-N 306.391 1.791 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1 72025436 CRGMNBDYEJSTAF-ZDUSSCGKSA-N 320.320 1.526 0 40 DDAB COc1cccc2c1OC[C@H](C(=O)N1C[C@@H](N(C)C)[C@H](C)C1)C2 78894555 PMWXJEQUOTVXHZ-BPLDGKMQSA-N 318.417 1.655 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3ccn(C(C)C)n3)C2)C1=O 84633223 DJWUNCQMXUJCRR-MRXNPFEDSA-N 319.409 1.369 0 40 DDAB C[C@@](O)(CNC(=O)NCCn1cccc1)c1ccc(F)cc1 95442752 VZOQLBAPRZYLAH-MRXNPFEDSA-N 305.353 1.834 0 40 DDAB COc1cccc([C@H](O)C(=O)N(C)CCc2ccccn2)c1 95450275 XTZONLLEOMFZFT-INIZCTEOSA-N 300.358 1.825 0 40 DDAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc[nH]n1 95449702 VGJVTCPDTGNNJT-LBPRGKRZSA-N 322.727 1.738 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c(Cl)c1 95432921 AUAROIHLBYMPHL-SECBINFHSA-N 317.716 1.850 0 40 DDAB CN1CCN(CCCCNC(=O)N2C[C@H]3CCCC[C@H]3C2)CC1 79023109 IKWKFQTULMUMOC-CALCHBBNSA-N 322.497 1.846 0 40 DDAB COc1ccc(OC)c(CN2CCOC[C@H]2c2noc(C)n2)c1 95999948 OBHKCKYGTXAMSD-AWEZNQCLSA-N 319.361 1.969 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1 85975955 UOVRGVMHKJMDDR-DGCLKSJQSA-N 313.375 1.214 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H](C)CCc1cccn1C 74744836 VLJOCMLPPCYFFP-HIFRSBDPSA-N 320.437 1.512 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F 89768354 PFXIZZMFMYIZDD-NSHDSACASA-N 320.773 1.259 0 40 DDAB CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC[C@@H](c2ccn(C)n2)C1 1548453696 GCKRYBGXDKULSC-XPKDYRNWSA-N 306.410 1.877 0 40 DDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(O)cc1 60481227 OFYWWWHYMLTZRF-UHFFFAOYSA-N 317.345 1.585 0 40 DDAB COc1cccc(OCc2ccc(C(=O)NCCCO)o2)c1 32611350 IWHSTTRAMUPYJR-UHFFFAOYSA-N 305.330 1.979 0 40 DDAB COC(=O)c1nn(-c2ccccc2)c2ncn3nc(C)nc3c12 3851661 GPIUGZLOLCPHDQ-UHFFFAOYSA-N 308.301 1.558 0 40 DDAB biogenic CNS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)no2)o1 36360533 YNRSYGZCPLZCDK-UHFFFAOYSA-N 305.315 1.905 0 40 DDAB Cc1noc(CCNCc2cc3cccc4c3n(c2=O)CCC4)n1 72206573 CCLRVVPALLINCU-UHFFFAOYSA-N 324.384 1.971 0 40 DDAB COCCNC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-] 33762949 SYXDPWLXZPSSIM-VKIZFATHSA-N 301.302 1.821 0 40 DDAB COCCOc1cc(-c2noc([C@@H]3CCCN3C)n2)ccn1 35424777 YGNIZVPNHVMCFL-LBPRGKRZSA-N 304.350 1.924 0 40 DDAB biogenic,in-vitro COc1cc(Br)ccc1N1C[C@@H](C(N)=O)CC1=O 73635772 VKHWLLMDKRIYFD-ZETCQYMHSA-N 313.151 1.296 0 40 DDAB COc1ccc2cc3c(nc2c1)SC1=NN[C@@H](OC)N1C3 72414099 VFXKARCVHXXUGD-CYBMUJFWSA-N 302.359 1.955 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 128046846 ACJQDAATZROUHA-CYBMUJFWSA-N 312.435 1.609 0 40 DDAB Cn1cc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)ccc1=O 130715498 IRWKDRJRECXCQH-AWEZNQCLSA-N 312.373 1.179 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCc2ccccc2C1)C(=O)N(C)C 195580032 YHMCWPYWYLZRNJ-QWHCGFSZSA-N 303.406 1.567 0 40 DDAB COc1cc(OC)nc(NC(=S)NCc2ccccc2)n1 225926595 LENWLMDOQNWNDL-UHFFFAOYSA-N 304.375 1.980 0 40 DDAB CN(C)c1cnnc(N2CCN(C(=O)c3cccs3)CC2)c1 224309010 JRYWXOTZQFPGHK-UHFFFAOYSA-N 317.418 1.567 0 40 DDAB Cc1nc2ccc(N3CCN(Cc4ccccn4)CC3)nn2n1 225537505 RLUYMMAXSOLMKN-UHFFFAOYSA-N 309.377 1.150 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1COc2ccccc21 96408807 BHLLLKRTCKKALP-GTJPDFRWSA-N 310.419 1.967 0 40 DDAB Cc1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)s1 237014500 JPZPESIMVUWBMC-LLVKDONJSA-N 324.402 1.452 0 40 DDAB CN1CC[C@]2(CN(C[C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201862 GNODWKICYOOTND-VDZJLULYSA-N 314.429 1.971 0 40 DDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)CSC)cc1 96477990 FPXUFLAXFUUXAZ-QWRGUYRKSA-N 302.465 1.997 0 40 DDAB CC[C@H]1CN(CC(=O)NC2CCOCC2)c2ccccc2O1 96441517 MYRYTGGUSLHZRK-AWEZNQCLSA-N 304.390 1.959 0 40 DDAB C[C@H](C(=O)N(C)CCc1nccs1)n1nnnc1C(C)(C)C 332281228 GBMVWHGJJKUHAW-SNVBAGLBSA-N 322.438 1.689 0 40 DDAB O=C(O)[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1 532874462 KVSWYXAGXAQVKX-ZDUSSCGKSA-N 303.293 1.701 0 40 DDAB COCC(=O)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159172 XLKLAPWTMHJNMU-UHFFFAOYSA-N 324.402 1.119 0 40 DDAB Cc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1 96208048 CKQUMDSUQMRVSS-YNEHKIRRSA-N 309.435 1.519 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072524 ICOFTGFCNVDNCM-CZUORRHYSA-N 314.345 1.257 0 40 DDAB C[C@@H](O)CNC(=O)C(=O)Nc1cc(Br)ccc1F 96413457 OFZCNRMSWOWLGJ-ZCFIWIBFSA-N 319.130 1.024 0 40 DDAB O[C@H](CN1CCC(CCN2CCOCC2)CC1)C(F)(F)F 97378135 YDDFRKOIFLLNQU-CYBMUJFWSA-N 310.360 1.344 0 40 DDAB Cc1cc(NC(=O)COCc2nc(-c3ccncc3)no2)no1 96182049 VXGPEDJFFQEQJN-UHFFFAOYSA-N 315.289 1.583 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1c(F)cccc1F 96414075 RBSPHZDJRPNGFW-SSDOTTSWSA-N 322.233 1.858 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C4CCOCC4)C[C@@H]3C2=O)cs1 96245107 WELHPPIBEXFPDY-WFASDCNBSA-N 321.446 1.521 0 40 DDAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96222142 UWNKTXHERQMJBL-BBRMVZONSA-N 305.378 1.524 0 40 DDAB CN(Cc1ccncc1)[C@H]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 96183109 FMKQJMXMULAEPO-PMPSAXMXSA-N 323.462 1.574 0 40 DDAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2CCO 257222886 DUZNZPNWJGBBBV-BZSNNMDCSA-N 302.418 1.848 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)C2CCNCC2)C1 257218076 DBUFVKXNMFXMMY-ZDUSSCGKSA-N 317.437 1.299 0 40 DDAB CC(=O)N1CCC(C(=O)N2CC[C@@H](c3[nH]ncc3C)C2)CC1 257241786 HZOVWEKGGOPDQC-CQSZACIVSA-N 304.394 1.293 0 40 DDAB COCCN1CC[C@@H](Cc2cncc(-c3cnn(C)c3)n2)C1 257316842 VHGHQCNTSBYUIM-ZDUSSCGKSA-N 301.394 1.388 0 40 DDAB COCC(=O)N1CC[C@@H](c2cc(-c3cc(C)n[nH]3)nc(C)n2)C1 257244811 IMXLWWXVBNQQDG-GFCCVEGCSA-N 315.377 1.446 0 40 DDAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN1CC(N)=O 257340693 ZHEUWXLLNDGDIT-GFCCVEGCSA-N 312.377 1.546 0 40 DDAB COc1ccccc1CN1CCC[C@]1(C(N)=O)c1cnccn1 257236281 HBLPLIWUSPMGHQ-QGZVFWFLSA-N 312.373 1.462 0 40 DDAB CCCc1nnsc1C(=O)N1CCC(S(C)(=O)=O)CC1 96103388 REGYTBQLYMAOMA-UHFFFAOYSA-N 317.436 1.140 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 575404242 MIECKEYMUMVYJU-OAHLLOKOSA-N 320.389 1.395 0 40 DDAB COC[C@]1(CC(=O)N(C)C)CCCN1Cc1ncccc1C 585277753 XOCMPMJMLNYFSW-QGZVFWFLSA-N 305.422 1.849 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1cocn1)[C@H]2C 585097699 MUALSAPQNVYHOF-NSHDSACASA-N 304.350 1.667 0 40 DDAB COCc1nnc2n1CCN(Cc1cccc(OC)c1)[C@H](C)C2 585097760 NWXXURXQNOOXOF-CYBMUJFWSA-N 316.405 1.880 0 40 DDAB Cc1cnc([C@H]2CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)[nH]1 585181426 GVHDWDIYSWVSSX-CYBMUJFWSA-N 312.333 1.203 0 40 DDAB O=C(Cn1cnnn1)N1CCC[C@@H]1Cc1ccccc1Cl 56988689 HKGDQQCABJEOQW-GFCCVEGCSA-N 305.769 1.560 0 40 DDAB OCCN1CCC(CNCc2cccc3c2OCCCO3)CC1 69368558 SECQZVZDWOIASV-UHFFFAOYSA-N 320.433 1.642 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 71871033 QEYGFWZKFRADAV-OAHLLOKOSA-N 312.413 1.907 0 40 DDAB CCC(=O)N1CSC[C@H]1C(=O)N1CCc2ccccc2C1 76195535 INABUGNOTXMTQL-AWEZNQCLSA-N 304.415 1.883 0 40 DDAB Cc1cc(N2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)nc(C)n1 97034108 LCNKWSNNNBUYSI-PKOBYXMFSA-N 324.428 1.874 0 40 DDAB CCS(=O)(=O)N[C@H]1CCCN(Cc2c(C)noc2C)C1 95956245 MMDLKTOZBBEDQC-LBPRGKRZSA-N 301.412 1.195 0 40 DDAB CCCNC(=O)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 14001153 JTPSLDHDBZDGFE-UHFFFAOYSA-N 316.336 1.933 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccccc1)CS2 15925046 JPUKKPLTRQZUTE-CJNGLKHVSA-N 304.415 1.799 0 40 DDAB CCn1cc(CNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)n1 17031197 YLHSDKQPHQCVNC-XWUBHJNHSA-N 305.378 1.575 0 40 DDAB Cc1nc(SCC(=O)NCCc2ccccc2)[nH]c(=O)c1C 18030009 WVZIOKDYFJVFBU-UHFFFAOYSA-N 317.414 1.838 0 40 DDAB CN(C)S(=O)(=O)Nc1ccc([C@H]2CCc3nncn3C2)cc1 19699018 IMMQYGXJRIDQRX-LBPRGKRZSA-N 321.406 1.226 0 40 DDAB O=C1C[C@H](C(=O)O)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 19961301 GADGMTBXNCDQTI-QMMMGPOBSA-N 300.274 1.024 0 40 DDAB Cn1cc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 643913861 JRAOXQJKXQAKCU-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB CN(C)c1cccc(C[C@H]2COCCN(Cc3cnc[nH]3)C2)n1 1848355277 UFPLALVKSREEDM-CQSZACIVSA-N 315.421 1.562 0 40 DDAB CC(=O)N[C@@H](C(=O)N(C)CCOc1ccccc1F)C(C)C 32787929 FZXUYJFYNHSLOQ-OAHLLOKOSA-N 310.369 1.824 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1 74924446 LIJPDGGPQUSVET-UHFFFAOYSA-N 300.355 1.020 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1(OC)CCC1)C2 1565545040 CEDMMAUGHCKZRT-ZBFHGGJFSA-N 311.422 1.990 0 40 DDAB CC1CC(C(=O)N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)C1 1565546019 UFKNBZLGUICWNS-KDQUWOQTSA-N 320.433 1.661 0 40 DDAB CC1CCC(C(=O)N2C[C@@H]3CN(CCN(C)C)C(=O)[C@H]3C2)CC1 1565546152 WGFYAUMYVVMWNG-CKUJCDMFSA-N 321.465 1.291 0 40 DDAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCOCC1 4374274 DPJFYDGBUXZFSZ-GFCCVEGCSA-N 323.780 1.487 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)[C@@H]1C 15661686 MGUHAHRBBJKOBI-BZPMIXESSA-N 314.389 1.732 0 40 DDAB C[C@](O)(CNC(=O)COc1ccccc1F)Cc1ccco1 206613798 JTHBERUPWPTBLL-MRXNPFEDSA-N 307.321 1.907 0 40 DDAB COc1cccc(N2CCN(c3ncnc4cnccc34)CC2)n1 2298080207 ZINKXGAFTRFKJK-UHFFFAOYSA-N 322.372 1.755 0 40 DDAB CCc1cc2c(=O)n(CC(=O)N3CCCC3)c(C)nc2s1 20158324 VRZUYUFANXRIJR-UHFFFAOYSA-N 305.403 1.951 0 40 DDAB Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 40466576 FSOWMYXOSFZZAZ-CYBMUJFWSA-N 322.430 1.968 0 40 DDAB CCCCN(CC(N)=O)Cc1nc(Cc2ccccc2)no1 40540774 JXJAEDNQUHXITB-UHFFFAOYSA-N 302.378 1.748 0 40 DDAB NC(=O)Nc1cccc(NC(=O)CN2CCCCCCC2=O)c1 51033047 JQTCCBUTQVDABI-UHFFFAOYSA-N 318.377 1.908 0 40 DDAB CC(=O)NCC(=O)NCc1ccc(N2CCCCCC2)nc1 40541546 OMQRWDQBNRPMGX-UHFFFAOYSA-N 304.394 1.214 0 40 DDAB CCn1cc(S(=O)(=O)N(C)Cc2ccnn2CC)c(C)n1 20602506 CTECNQQFKDXDDI-UHFFFAOYSA-N 311.411 1.249 0 40 DDAB Brc1ccc(-c2nnc(CN3CCOCC3)o2)o1 20939988 PDAGCYNQGZIWSN-UHFFFAOYSA-N 314.139 1.924 0 40 DDAB NS(=O)(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 69842706 SJXHBJSIPVJRKZ-NSHDSACASA-N 321.805 1.237 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)NCCc3ccccc3)cc2o1 2356749 CVDYOERVGWANGM-UHFFFAOYSA-N 318.354 1.642 0 40 DDAB COC(=O)[C@@H](C)Sc1nncn1-c1cccc(NC(C)=O)c1 32778416 YSDYPVDTDDDDEE-SECBINFHSA-N 320.374 1.879 0 40 DDAB CCn1nc(C)cc1C(=O)N1CCCN(c2cccnn2)CC1 69902332 CPEBZNFDUBLDNV-UHFFFAOYSA-N 314.393 1.354 0 40 DDAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)CCn1ccccc1=O 102580775 PZSBLMAIIGHTIZ-QGZVFWFLSA-N 323.352 1.846 0 40 DDAB Cc1cc(C)cc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 6202366 QSNCWMHGMKNAQD-CYBMUJFWSA-N 312.435 1.983 0 40 DDAB O=C(NCCS(=O)(=O)NCc1ccccc1)C1[C@H]2CCC[C@H]12 102694642 ADGPMWDVKKKHMV-KBPBESRZSA-N 322.430 1.268 0 40 DDAB CCOC(=O)C1=C(N)Oc2ccccc2N2C(=O)CS[C@H]12 6655401 HZMIGBOWNNBUGC-CYBMUJFWSA-N 306.343 1.218 0 40 DDAB CCCNC(=O)COC(=O)c1nn(-c2ccccc2)nc1C 7292583 NENNQMFQMSPUBY-UHFFFAOYSA-N 302.334 1.259 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 102690041 YLVNQBPUQHVOGL-DHPDLVEQSA-N 317.728 1.624 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2ccc3c(c2)COC3)CC1 69951548 JRBNMWWTEVQCOV-INIZCTEOSA-N 304.390 1.246 0 40 DDAB C[C@H](CO)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 41379267 SPYNCWQVGWVXEJ-ZCFIWIBFSA-N 324.686 1.794 0 40 DDAB C[C@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)C[C@@H](C)O1 47130999 HOERUIOTTVDVPT-TXEJJXNPSA-N 322.361 1.613 0 40 DDAB Cc1cc(C(=O)O)c2c(C3CC3)nn(CC(=O)NC(C)C)c2n1 12396401 FDTLMGDLQFBPDP-UHFFFAOYSA-N 316.361 1.840 0 40 DDAB CC(=O)N[C@H](CC(=O)N1CCO[C@H](C)C1)c1ccc(C)cc1 22281847 XCMWMNFNZKUSCF-CZUORRHYSA-N 304.390 1.810 0 40 DDAB Cc1ccc(C2=CS[C](NC(=O)CN3CCOCC3)N2)cc1 107915761 WRBSHVCKDACBEX-UHFFFAOYSA-N 318.422 1.525 0 40 DDAB CC(C)(C)C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53678604 RVNODJDNHMCFJH-UHFFFAOYSA-N 310.419 1.790 0 40 DDAB CCNC(=O)c1cccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 20963507 BTGTXGQBTHFHEW-STQMWFEESA-N 319.405 1.484 0 40 DDAB O[C@H]1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C1 24052827 IFOYUAMILKISOS-ZDUSSCGKSA-N 318.425 1.033 0 40 DDAB O=C(O)CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1157201 DFHGBKJKGOWVKZ-NXEZZACHSA-N 324.427 1.370 0 40 DDAB COC(=O)CCNC(=O)c1sc(-c2ncccn2)nc1C 54957826 INJKDQIMULMLRB-UHFFFAOYSA-N 306.347 1.201 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(C)C 24910782 ZFOBUTJGCZZBFO-ZDUSSCGKSA-N 302.334 1.195 0 40 DDAB O=C(NCc1nnc2n1CCC2)Nc1nnc(C2CC2)s1 43359824 VNQWVTJYXCQEQM-UHFFFAOYSA-N 305.367 1.275 0 40 DDAB Cc1cnn(CC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 55404216 MOYNBQGMVDOBTE-UHFFFAOYSA-N 300.240 1.537 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)C1 25168618 ZUWRYWYSKRXRTJ-CMPLNLGQSA-N 323.349 1.112 0 40 DDAB c1csc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)n1 107745233 KVGKOZALRGALRW-MCIONIFRSA-N 309.435 1.207 0 40 DDAB O=C(O)c1cccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)c1 100857670 JQBQIPGJJTZKRD-CYBMUJFWSA-N 302.330 1.503 0 40 DDAB NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1 97020553 VYYCSJSEYKAVJV-JSGCOSHPSA-N 300.399 1.763 0 40 DDAB CC[C@@H]1CN(c2cnc3ccccc3n2)CCN1C[C@H](C)O 106840026 MZNZZVBNIJPZSB-UONOGXRCSA-N 300.406 1.911 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 106863141 MOVLMILCXCKUQW-CUTVHNCCSA-N 322.430 1.881 0 40 DDAB COc1cccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)c1 25309625 OEKBSGLWMCZHAB-LLVKDONJSA-N 314.345 1.420 0 40 DDAB CNc1snc(C)c1C(=O)N1CCN(c2cnccn2)CC1 25343933 ONBCGJFKSHWHAN-UHFFFAOYSA-N 318.406 1.246 0 40 DDAB COc1ccnc(N2CCC[C@@H]2C(=O)NCC(F)(F)F)n1 25570753 GUBKOJNGQUCSCL-MRVPVSSYSA-N 304.272 1.133 0 40 DDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@H]2CCC[C@@H]21 56194544 GQHVQYXQTHNJCV-ILXRZTDVSA-N 316.405 1.473 0 40 DDAB CC[C@@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1C[C@H](C)O 107320780 XLMHVTGJYRYODE-QWHCGFSZSA-N 320.412 1.979 0 40 DDAB COCCOCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 26382712 XGMLOCBQCLXQOM-KRWDZBQOSA-N 323.389 1.934 0 40 DDAB CN1CC[C@@H](Nc2ccccc2C(=O)NCc2ccco2)C1=O 97013045 QQRJLMWXZVTGHY-OAHLLOKOSA-N 313.357 1.852 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1cn(C)nc1C)C2 72285425 VXYYYCMXSWIOAI-CQSZACIVSA-N 301.394 1.297 0 40 DDAB Cc1cnn(CCNCCCc2nnnn2-c2ccccc2)c1 72253131 YLVVVBZMOUVYDM-UHFFFAOYSA-N 311.393 1.390 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 72235304 SHSNSNUGTGJJJV-NSHDSACASA-N 320.422 1.786 0 40 DDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 20245465 YZEDXXDGTQSXMW-UHFFFAOYSA-N 313.423 1.458 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76053476 QVSGITREAWUMEE-OCCSQVGLSA-N 321.421 1.899 0 40 DDAB CN(Cc1ccccc1)c1ccccc1NCC(=O)NC(N)=O 58294972 MGJAQYUNJCHLQS-UHFFFAOYSA-N 312.373 1.930 0 40 DDAB CCOc1ccc2cc(C(=O)NCCC(=O)N(C)C)[nH]c2c1 58213196 HZZDOAJBAFGHQO-UHFFFAOYSA-N 303.362 1.775 0 40 DDAB O=C(c1ccccc1O)N1CCn2c(nnc2C(F)(F)F)C1 72291157 YGWQNFLXCAUZTP-UHFFFAOYSA-N 312.251 1.659 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)Cn3cccn3)cn2)C[C@H](C)O1 44966836 QTRYKQBLYGMIOA-STQMWFEESA-N 315.377 1.530 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NCCn1ccnc1 72270003 JAFLWTBEPTUXQH-UHFFFAOYSA-N 310.304 1.540 0 40 DDAB CCCS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 58309264 RAWFZMCZSXVAEH-AWEZNQCLSA-N 310.419 1.621 0 40 DDAB c1coc([C@@H](CNC[C@@H]2CNc3ccnn3C2)N2CCCC2)c1 58328237 FPUKLTTYLMQXHK-HUUCEWRRSA-N 315.421 1.945 0 40 DDAB CCOCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 2253083 WZCBIKVKSJSVTE-AWEZNQCLSA-N 308.378 1.497 0 40 DDAB O=c1c2ccccc2nc(Cc2ccccc2)n1N1CCOCC1 12759113 UOLPSLZTIRYCNT-UHFFFAOYSA-N 321.380 1.956 0 40 DDAB COCCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 22533271 RAHRYROHTKBSGX-UHFFFAOYSA-N 320.798 1.478 0 40 DDAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)[C@H](C)CO1 48302311 GWMRBRPRMXAMAV-ZJUUUORDSA-N 318.295 1.503 0 40 DDAB COC(=O)c1ccc(NC2CCN(c3ncccn3)CC2)nn1 48326887 JOCSKXFTQCANQB-UHFFFAOYSA-N 314.349 1.134 0 40 DDAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1S(N)(=O)=O 13097114 NCXBMEDEEMIXKF-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)nc1 64098901 WSOWAOBDQPUHIR-AWEZNQCLSA-N 316.405 1.470 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)CCCc1ccc(OC)cc1 65578126 RUIYAPSWJHRFRY-GFCCVEGCSA-N 307.394 1.404 0 40 DDAB CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1c(C)cc(C)[nH]c1=O 65517634 FLHWEYQKTDZJDW-CHWSQXEVSA-N 307.394 1.701 0 40 DDAB COC(=O)CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 65587356 MDNURRHZYZPQAV-ZDUSSCGKSA-N 306.410 1.747 0 40 DDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709860 YIUQCJDMQPEFPA-UHFFFAOYSA-N 315.329 1.284 0 40 DDAB Cc1ccc(-n2nnnc2Sc2ncnc3c2cnn3C)cc1 14208894 XZSYRHYICDRCEJ-UHFFFAOYSA-N 324.373 1.799 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCNC(=O)CC1 71839584 SAKWNFYIEKYNAJ-UHFFFAOYSA-N 306.410 1.047 0 40 DDAB O=C1C[C@H](c2ccccc2)N(CCCN2CCCC2=O)CCN1 71824775 SXYHNQKWVRLVHL-MRXNPFEDSA-N 315.417 1.562 0 40 DDAB CCC(=O)c1c(O)[nH]c(=O)n(-c2cccc3ccccc23)c1=O 9190227 LHDHOVXIXRXHDR-UHFFFAOYSA-N 310.309 1.977 0 40 DDAB CNS(=O)(=O)c1cccc(CNCc2cccc(OC)c2)c1 66988927 JEYQHDOEXCXYRZ-UHFFFAOYSA-N 320.414 1.893 0 40 DDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1cccs1 7051804 ZQNYWBFKPWRDJK-UHFFFAOYSA-N 307.360 1.525 0 40 DDAB CN(C)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 96007803 MEPBAUCNZLZMMP-JTQLQIEISA-N 314.183 1.589 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(C)=O)c1 7688252 VKBHCIDCMFATPZ-JTQLQIEISA-N 312.391 1.082 0 40 DDAB CC(C)CN(CC(C)C)C(=O)CSc1nc(N)cc(=O)[nH]1 16045187 CJOSEIBNPMMQLY-UHFFFAOYSA-N 312.439 1.585 0 40 DDAB O=C(NC[C@H](O)CO)Nc1cc(F)cc(Br)c1 91179897 ARZBCVUCEGRBDI-VIFPVBQESA-N 307.119 1.063 0 40 DDAB CN1CCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)CC1 69382417 HXMXRYZGJCVANP-UHFFFAOYSA-N 313.405 1.934 0 40 DDAB CC(C)=CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69442757 CXEZIUYGYPSYRP-UHFFFAOYSA-N 316.405 1.203 0 40 DDAB Cc1ccccc1-c1noc(CCC(=O)N2CCN(C)CC2)n1 20443012 WIEATSYHGPODAN-UHFFFAOYSA-N 314.389 1.752 0 40 DDAB C[C@H](O)CN1CCC(CN[C@@H](C(N)=O)c2ccc(F)cc2)CC1 69511867 LYEUXLHFGSUWFN-BLLLJJGKSA-N 323.412 1.035 0 40 DDAB COC[C@H](C)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 69665922 SRKRXWJTWHLCLD-KBPBESRZSA-N 323.412 1.487 0 40 DDAB O[C@@H](COc1ccc(F)cc1)CN1CCC[C@@H]1Cn1cncn1 69699841 FEMXSGPBWUERSX-HUUCEWRRSA-N 320.368 1.322 0 40 DDAB CCCc1cc(N2CCC[C@H]2Cn2cncn2)n2ncnc2n1 69601540 KUNDQDVVXLCIPQ-ZDUSSCGKSA-N 312.381 1.337 0 40 DDAB COC(=O)CNC(=O)CCN1CCC[C@@H]1c1ccc(C)cc1 69669517 QEWXNMQXNXZODQ-OAHLLOKOSA-N 304.390 1.811 0 40 DDAB CC[C@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1CCOC 69769903 QJOUQANKOMOVKT-HOTGVXAUSA-N 323.412 1.395 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](n2ccnc2C)C1 69743743 IPNUBZBQOJTWPP-HNNXBMFYSA-N 315.421 1.948 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCc2ccncc2)CC1 69773108 ZHZNLBJJUUSDTD-MRXNPFEDSA-N 319.449 1.565 0 40 DDAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1C 26101815 IWADHOSTJRKTAH-UHFFFAOYSA-N 311.432 1.956 0 40 DDAB C[C@@H](CO[C@@H]1CCOC1)NC1CCN(c2nccs2)CC1 97237664 AGMNSGDVWHZFRL-GXTWGEPZSA-N 311.451 1.896 0 40 DDAB CCn1nccc1/C=C/C(=O)N1CCCc2c(C(N)=O)cccc21 95435265 CQQOLQPESPYYIF-CMDGGOBGSA-N 324.384 1.995 0 40 DDAB CCc1nsc(NCCNC(=O)c2n[nH]c3ccccc23)n1 95408583 FXDVNEMWFMKYJU-UHFFFAOYSA-N 316.390 1.819 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1csc(C)n1)CC2 95400633 UCIKRFYKXHCYOX-OLZOCXBDSA-N 310.419 1.844 0 40 DDAB C[C@@H](Cc1ccccc1)OC(=O)C1CC2(C1)NC(=O)NC2=O 95430681 OWYUBGUZMGKIDT-LWOUBBNUSA-N 302.330 1.149 0 40 DDAB Cc1ccn2cc(CNC(=O)NC[C@@H]3CCC[C@H](O)C3)nc2c1 73810245 QNDBVSZXEGFKOI-HIFRSBDPSA-N 316.405 1.993 0 40 DDAB COc1ccc(Cc2nnnn2Cc2nnc(C)o2)cc1F 95965676 MGLWUNJTIKXACM-UHFFFAOYSA-N 304.285 1.151 0 40 DDAB O=C(NC[C@@H](O)C1CCOCC1)c1c(F)cccc1Cl 89768012 DKCGZBFSJUCLDG-GFCCVEGCSA-N 301.745 1.996 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCOc2ccccc21 89801931 VYQMFLTWATVOGZ-DZGCQCFKSA-N 302.374 1.536 0 40 DDAB C[C@]1([C@@H]2CCCN(Cc3ccccc3F)C2)NC(=O)NC1=O 89917264 KJWBWYRVCYBKGD-MLGOLLRUSA-N 305.353 1.636 0 40 DDAB COC(=O)CN1CCCN(C(=O)Nc2ccc(OC)cc2)CC1 75572660 JGMMGMSFCWZLJD-UHFFFAOYSA-N 321.377 1.408 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H]([C@H](F)C(=O)O)C2)c(C2CC2)n1 1548598695 FRYCGLRKCDMRDH-PWSUYJOCSA-N 307.325 1.547 0 40 DDAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(C)nc2C)N1 36369538 WRTBKTHQPYAHQP-RDJZCZTQSA-N 324.384 1.987 0 40 DDAB biogenic N[C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc2c(c1)OCO2 72227631 LFBDARJRDSQXOR-GJZGRUSLSA-N 300.289 1.970 0 40 DDAB c1ccc(CNc2nc(N3CCOCC3)nc3nccnc23)cc1 32095610 JQQUQNBYTHKDMT-UHFFFAOYSA-N 322.372 1.869 0 40 DDAB CC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)[C@H]1CCCO1 72324366 QSQGVQAJIVREMJ-IUODEOHRSA-N 318.373 1.914 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 72367649 YOUHURQEUMUZKG-NSHDSACASA-N 308.407 1.234 0 40 DDAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 72227590 AWPFYJLERJRASB-LSDHHAIUSA-N 300.289 1.970 0 40 DDAB CN(CC(=O)N[C@@H]1CCSC1=O)c1nc2ccccc2s1 70640850 RZJMATRTQVJYKZ-SNVBAGLBSA-N 321.427 1.881 0 40 DDAB COc1cc(C(=O)O)c(Br)cc1OCC(=O)O 218295480 UVXOPKMJQRVXFE-UHFFFAOYSA-N 305.080 1.619 0 40 DDAB C[C@@H](c1nc(C(=O)NCc2ccc(F)cc2)no1)n1ccnc1 78774270 IPKVLFRWLNBVNY-JTQLQIEISA-N 315.308 1.945 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)cc1C 36635292 CTWQGSXYBODBHZ-LBPRGKRZSA-N 303.387 1.946 0 40 DDAB CCOc1cc(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)ccn1 76045667 QBGIRQSNJZARMC-LBPRGKRZSA-N 317.349 1.121 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377669 PLLRFDIQECRQRX-NSHDSACASA-N 320.378 1.107 0 40 DDAB CCN(CC)c1c(Br)cncc1S(=O)(=O)O 72210938 UQDLRNKGPRSFOR-UHFFFAOYSA-N 309.185 1.937 0 40 DDAB Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)ncc1C(N)=O 72356018 RFWWNHNFQWMUAI-AWEZNQCLSA-N 311.389 1.659 0 40 DDAB CCCC(=O)Nc1ccc(N2C[C@H](C(=O)OC)CC2=O)cc1 45953843 ASTYXJIUWQIGBS-LLVKDONJSA-N 304.346 1.951 0 40 DDAB CN(C)c1ncc2c(n1)CN(CCc1ccc(F)cc1)C2=O 41123045 ZKWBNEFBEHRZEX-UHFFFAOYSA-N 300.337 1.880 0 40 DDAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cc2cnn(C)c2)C1 194299208 KDTFSRJDPXBYRS-INIZCTEOSA-N 307.394 1.400 0 40 DDAB CN1CCN([C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)CC1 225146694 OKMCGCPXAYBYSU-ZDUSSCGKSA-N 316.323 1.949 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)NC2CCCC2)s1 223718156 GQVXQVGTJMWXFG-UHFFFAOYSA-N 304.397 1.108 0 40 DDAB COc1cncc(O[C@@H]2CCCN(C(=O)Cn3cccc3)C2)n1 225499298 AJVBPZOJQCHQNZ-CYBMUJFWSA-N 316.361 1.357 0 40 DDAB O=C1NCCN(C(=O)c2ccncc2)[C@H]1CC1CCCCC1 333462641 GUDAJLILVDYITK-HNNXBMFYSA-N 301.390 1.993 0 40 DDAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)C(C)C)ccc2NC1=O 96182270 BKXHWNMBCYFLHP-INIZCTEOSA-N 320.345 1.934 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)COc3ccccc3)CC[C@@H]2C1 96249560 VDTSJMILWCHENU-GDBMZVCRSA-N 304.390 1.245 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 96075071 SIPCOTWHZCHONC-MAUKXSAKSA-N 315.417 1.935 0 40 DDAB C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(-c2nnnn2C)c1 96427929 ASUIOZVGSPGPFV-ZWNOBZJWSA-N 321.406 1.344 0 40 DDAB COC(=O)C1(NC(=O)Cn2ccnc2C(C)C)CCCCC1 97236164 GAZXLVYDAQBQEF-UHFFFAOYSA-N 307.394 1.999 0 40 DDAB COc1ncccc1CN1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 96110040 JESZEPYCTFBEDZ-CZUORRHYSA-N 316.361 1.182 0 40 DDAB CN(C)CCN1CCC2(CCN(Cc3ccccn3)CC2)C1=O 96157744 WBIOPYKUTFKYCD-UHFFFAOYSA-N 316.449 1.458 0 40 DDAB NS(=O)(=O)NCC1(c2ccccc2Br)CC1 96421279 ARAHYRBNJZKVAS-UHFFFAOYSA-N 305.197 1.274 0 40 DDAB CO[C@@H]1CO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 96110858 HIMINFWVRLIZNF-SJCJKPOMSA-N 319.357 1.478 0 40 DDAB Cc1ccc(CC(=O)N2Cc3ncn(C)c3[C@H](C(=O)O)C2)cc1 96196747 QJCITQKCAHQXCA-CYBMUJFWSA-N 313.357 1.482 0 40 DDAB c1cc(-c2c[nH]c([C@@H]3COCCN3Cc3ncc[nH]3)n2)ccn1 96296189 LIDPKNNXFMMBRU-AWEZNQCLSA-N 310.361 1.768 0 40 DDAB biogenic,in-vitro O=C1CCC(=O)N1CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 96483705 VAJUFYZTTYSITI-BXUZGUMPSA-N 324.327 1.222 0 40 DDAB Cn1c2c(ccc1=O)C[C@H](NC(=O)Cc1cccs1)CC2 96067586 KSOXJLGBKWNXCT-GFCCVEGCSA-N 302.399 1.663 0 40 DDAB CCNC(=O)N1C[C@H](OCc2nc3ccc(F)cc3[nH]2)[C@H](F)C1 96112045 JIIUXBJOBIFIOO-MFKMUULPSA-N 324.331 1.970 0 40 DDAB biogenic,in-vitro O=C(c1ccnnc1)N1CCC2(CC1)CCN2c1nccs1 96093748 ISUZOPUHRISOAY-UHFFFAOYSA-N 315.402 1.818 0 40 DDAB O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCS(=O)(=O)CC1 96440836 QRBAULCMCFUHQY-STQMWFEESA-N 300.424 1.395 0 40 DDAB O=S(=O)(C1CC1)N1CC2(CCN(Cc3ccsc3)C2)C1 96202760 NACVNVCTJMRHOA-UHFFFAOYSA-N 312.460 1.748 0 40 DDAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3nnn[nH]3)cc2)n1 95476204 AIRGXQJEBXWOKP-UHFFFAOYSA-N 310.321 1.602 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@@H](CCN3S(=O)(=O)C3CC3)C2)o1 248117151 SUPTUHUBNGYOFG-XJKSGUPXSA-N 324.446 1.976 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 257333908 YDQIZDXJRCSRCJ-QGZVFWFLSA-N 308.397 1.628 0 40 DDAB CCc1noc(C)c1C(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 257266923 MFEDERRTQIVONS-GFCCVEGCSA-N 304.350 1.791 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2cn(C)cn2)n1 257234158 GSKOFZMGXNRXMA-OAHLLOKOSA-N 314.393 1.249 0 40 DDAB COc1ncc(CN2CCO[C@H](c3nc(C)cc(C)n3)C2)cn1 257224608 FCNSXXIXNKKHSO-AWEZNQCLSA-N 315.377 1.466 0 40 DDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccsc1)C2 585104050 VOEMBOBJCDSAFV-CYBMUJFWSA-N 315.460 1.774 0 40 DDAB CN(C)C/C=C/C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 585289824 OEYMODMJMQSBPA-IGHXGINGSA-N 318.417 1.535 0 40 DDAB CC[C@@H]1CN(C(=O)c2[nH]nc(C)c2Br)CCO1 48912775 ZSAWOTWVHMKWJH-MRVPVSSYSA-N 302.172 1.732 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c(C)s1 54798055 SRAYQBLXANFZFG-ZDUSSCGKSA-N 324.427 1.870 0 40 DDAB C[C@H]1CCCCN1CCCNS(=O)(=O)CC1CCNCC1 49641059 NHOFKGCJGRPNRH-AWEZNQCLSA-N 317.499 1.170 0 40 DDAB COCCNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 69203370 LWDXFSSNIOAPGV-NSHDSACASA-N 306.284 1.684 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccnc(-n3cncn3)c2)cn1 71796639 MTWSMXZAUHFMSB-AWEZNQCLSA-N 323.360 1.373 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1cc(-c3ccccc3)no1)CC2 72302315 RBZCXAPPBQFIQB-UHFFFAOYSA-N 322.368 1.994 0 40 DDAB CN(C)S(=O)(=O)N[C@H](C(=O)O)C(C1CCC1)C1CCC1 515623331 LAUMQESREARBTB-LBPRGKRZSA-N 304.412 1.052 0 40 DDAB CCc1ccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)s1 96365203 PJPJUGJKAREGTK-SNVBAGLBSA-N 323.461 1.118 0 40 DDAB Cc1cc(F)ccc1C(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549168167 UHOAUJAPBPXKEH-UHFFFAOYSA-N 318.348 1.903 0 40 DDAB O=C(N[C@@H](C[C@H]1CC[C@H]2OCO[C@@H]2C1)C(=O)O)c1ccccc1 5048304 RPQQUIOGQVDXKA-FAAHXZRKSA-N 319.357 1.801 0 40 DDAB O=C(NCCn1ncccc1=O)c1ccc(Cl)cc1Cl 11856284 GWBWJWROJRQVCG-UHFFFAOYSA-N 312.156 1.980 0 40 DDAB CN(C(=O)Cn1nc(-c2ccoc2)oc1=O)C1CCCCC1 12143011 KPEITJRZQNRSTE-UHFFFAOYSA-N 305.334 1.887 0 40 DDAB CNC(=O)CC1CCN(C(=O)c2ccc3nsnc3c2)CC1 19748473 YDUMYFCEPGHAMI-UHFFFAOYSA-N 318.402 1.680 0 40 DDAB Cc1nnc(N2CC(NC(=O)Nc3ccc(F)cc3)C2)s1 1888866684 IMGDLGJXGWNVJR-UHFFFAOYSA-N 307.354 1.996 0 40 DDAB Cc1nn(CN2CCC(NC(=O)C3CC3)CC2)c(=S)n1C 29586886 BDHGWULPCYHOLR-UHFFFAOYSA-N 309.439 1.208 0 40 DDAB CC(C)N1C(=O)C[C@H]2[C@H](CNC(=O)C3CCOCC3)[C@@H](C)C[C@H]21 1775963992 MVBSKLZTAKCMKC-ARLBYUKCSA-N 322.449 1.811 0 40 DDAB biogenic,in-vitro Nc1nccnc1C(=O)N1CCC(OCc2ccccc2)CC1 32907431 FOCLXFVCJZALDP-UHFFFAOYSA-N 312.373 1.880 0 40 DDAB CCn1nnc2c(=O)n(Cc3cc(OC)cc(OC)c3)cnc21 13531647 UVIJXJHUWFFPDW-UHFFFAOYSA-N 315.333 1.073 0 40 DDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccco2)CC1 2055746418 AMJYLNWBSZCITL-UHFFFAOYSA-N 317.393 1.206 0 40 DDAB O=C(CN1CCC2(CC1)C[C@H](N1CCCC1)CO2)N1CCCC1 2055835590 PBEYINVKOGTNKF-INIZCTEOSA-N 321.465 1.328 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)nn1 225677216 FOYYAIIBPBGGQJ-LLVKDONJSA-N 300.318 1.174 0 40 DDAB COc1ccc(C(=O)NCCCNc2ncccn2)cc1F 40135620 QHOJLFZBGPKXIZ-UHFFFAOYSA-N 304.325 1.856 0 40 DDAB OCCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 50275456 DVACLJOVKTWSQN-UHFFFAOYSA-N 303.328 1.995 0 40 DDAB CC(C)Oc1ccccc1NCC(=O)NCC(=O)N1CCCC1 50783409 MJTKCZMTRALXDI-UHFFFAOYSA-N 319.405 1.624 0 40 DDAB CN1N=C(C(=O)Nc2cccc(Cn3cccn3)c2)CCC1=O 40509649 DAOOPICNGJHVGQ-UHFFFAOYSA-N 311.345 1.478 0 40 DDAB CCCn1nc(C(=O)NCCCN2CCC[C@@H](C)C2)ccc1=O 40534685 NWBLGCKYJDIHAQ-CQSZACIVSA-N 320.437 1.505 0 40 DDAB C[C@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCO1 40540053 DJUKAWZOVIXGOL-LBPRGKRZSA-N 314.407 1.285 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c1 40505488 GKFSNRXSDCDRFS-QJPTWQEYSA-N 307.394 1.445 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(O)nc1 18073404 KEFAQBDYORGAHU-UHFFFAOYSA-N 300.314 1.531 0 40 DDAB CS(=O)(=O)N(CC(=O)NCc1ccco1)C1CCCCC1 574493 HHPDCFIGVGLOND-UHFFFAOYSA-N 314.407 1.490 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCCOc2ccccc2F)CC1 69898286 UOSMPRMFWPDTTQ-AWEZNQCLSA-N 324.396 1.510 0 40 DDAB O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccco1 1345068 GMRXCWILDFTACY-UHFFFAOYSA-N 313.309 1.915 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 41128729 AEQOVBYWBYHPPW-UZYOAWRESA-N 310.357 1.219 0 40 DDAB Cc1cc(C)cc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2N)c1 4984739 QCADFXCEUVWUBN-ZDUSSCGKSA-N 315.377 1.375 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2N)cc1F 4984804 SEYSGQAHHRSTJD-NSHDSACASA-N 319.340 1.206 0 40 DDAB Cc1cc(CN2CCN(Cc3nnsc3Cl)CC2)no1 52917227 IKQZAQOGUUUXOK-UHFFFAOYSA-N 313.814 1.806 0 40 DDAB OC[C@@H]1CCCN1c1cc(NCCCn2cccn2)ncn1 72276090 BWDAINUDNWQIBV-ZDUSSCGKSA-N 302.382 1.136 0 40 DDAB CN(CCOc1ccccc1)CN1C(=O)NC2(CCCC2)C1=O 23383765 QDYXXUUAMWGGEY-UHFFFAOYSA-N 317.389 1.819 0 40 DDAB CC(C)OC(=O)c1ccc(NC(=O)CN2CCC[C@@H](O)C2)cc1 24166915 CMBLDIUHENXGJH-OAHLLOKOSA-N 320.389 1.647 0 40 DDAB COc1ccc(C(=O)OCC(=O)N2CCCCC2)c(OC)c1 3259616 KPJFIMREFCQCOH-UHFFFAOYSA-N 307.346 1.873 0 40 DDAB Cc1cc(C)cc(OCCNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 55602142 CRPBETAPKGRKTC-GDBMZVCRSA-N 318.417 1.961 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccco2)o1 25301189 JUGASOWMOILLPM-SECBINFHSA-N 312.347 1.142 0 40 DDAB Cc1nn(C[C@@H]2N[C@@H](C(=O)O)CS2)c(C)c1Br 34926133 ZAYBVFKJMUWNCU-HTQZYQBOSA-N 320.212 1.378 0 40 DDAB O=C([C@@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 107495282 MEJUYJQPBHXPKZ-XUXIUFHCSA-N 308.447 1.947 0 40 DDAB C[C@@H](CO)NC(=O)C1=Cc2cc(Br)ccc2OC1 35205023 CHINMRSJERMZJL-QMMMGPOBSA-N 312.163 1.722 0 40 DDAB in-vitro O=C1CCCCN1c1cccc(NS(=O)(=O)c2cn[nH]c2)c1 57117727 UQFCIAMNHLKYFK-UHFFFAOYSA-N 320.374 1.727 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 107254069 RALOIYDKTSCRDH-PHZGNYQRSA-N 313.401 1.706 0 40 DDAB COc1ncccc1C(=O)Nc1cccc(OCCC(N)=O)c1 58159513 HZTGUBAXCJMFLJ-UHFFFAOYSA-N 315.329 1.597 0 40 DDAB O=C(NCCc1ccccn1)C1=NN(c2ccccc2)C(=O)CC1 44867120 QTLZAGDLZQHYIC-UHFFFAOYSA-N 322.368 1.923 0 40 DDAB CCCNC(=O)NC(=O)COc1cc(Cl)ccc1C(N)=O 58294803 HDBMFMWYNFICDK-UHFFFAOYSA-N 313.741 1.054 0 40 DDAB CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NC)o1 27706171 BGJMHXOSWWAIGV-QWRGUYRKSA-N 314.407 1.886 0 40 DDAB CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)[C@@H](C)COC 44909739 SFYFFIWRAHBMKY-LRDDRELGSA-N 320.389 1.684 0 40 DDAB CC(C)[C@H](Sc1nnnn1C)C(=O)NCc1cccnc1 58368270 PANMIWPJMOYQFF-NSHDSACASA-N 306.395 1.038 0 40 DDAB Cc1cccc(C[C@H](CO)CNC[C@H]2CNc3ccnn3C2)c1 58328415 QHZBGMVFRKLEKR-IRXDYDNUSA-N 314.433 1.674 0 40 DDAB Cc1ccc2ncc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(=O)n2c1 28263710 VFPZPYSNFPHEDX-TXEJJXNPSA-N 301.346 1.252 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1=O 110605655 RLXILOPLIQYBEX-AVGNSLFASA-N 317.389 1.359 0 40 DDAB Cc1ccccc1CCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 84235672 BWRBASXRVNPSOI-ZWKOTPCHSA-N 316.445 1.985 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2F)c(=O)[nH]1 97136789 KUJVDQFONXSEHP-GFCCVEGCSA-N 322.311 1.295 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)c1ccnc(OC2CCCCC2)c1 92861578 VZCFAIKQGYWTBR-CQSZACIVSA-N 317.389 1.883 0 40 DDAB CC(=O)[C@@H]1[C@H](c2sccc2C)NC(=O)N[C@@]1(O)C(F)(F)F 4387640 HFTMWFJZNYYHAM-XLDPMVHQSA-N 322.308 1.867 0 40 DDAB COc1cccc(N2CCN(CCN3CCOCC3)CC2)c1 39975187 DFUGZRISHZTHQG-UHFFFAOYSA-N 305.422 1.149 0 40 DDAB CCO[C@H](C)C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 65475350 HDAHVBCZUMZHSC-GFCCVEGCSA-N 323.368 1.927 0 40 DDAB C[C@H](C1CC1)N(C)C(=O)Cn1nnc(COc2ccccc2)n1 65576549 OMSPBNHLXKMZJK-GFCCVEGCSA-N 315.377 1.509 0 40 DDAB O=C(NCc1cccnc1)NCc1nc(-c2ccccc2)n[nH]1 65610747 DNATVDRJCBGJFT-UHFFFAOYSA-N 308.345 1.866 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)C1CCCC1 65609716 KGQLAXLDRUCVNM-CVEARBPZSA-N 318.421 1.742 0 40 DDAB c1nc2c3c4c(sc3nc(N3CCOCC3)n2n1)CCC4 5577001 BCDCUVJLTWFLBH-UHFFFAOYSA-N 301.375 1.664 0 40 DDAB COc1ccccc1C(=O)NC1CCN(c2ncccn2)CC1 6767763 JZGICKMMVUTTIU-UHFFFAOYSA-N 312.373 1.884 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)COCc3ccccc3)CCO2)n1 78888561 ZQMFIXUPBDXPRF-CQSZACIVSA-N 316.361 1.230 0 40 DDAB OCCNC[C@H](O)COC(c1ccccc1)c1ccccc1 6937432 LUSDNFWGFGFZPO-KRWDZBQOSA-N 301.386 1.735 0 40 DDAB COc1ccc2c(COC(=O)C3=COCCO3)cc(=O)oc2c1 7655303 YMMAFWDRLDJVNJ-UHFFFAOYSA-N 318.281 1.733 0 40 DDAB CN1C(=O)N(CC(=O)NCc2ccco2)C(=O)C12CCCCC2 7777837 KRBWEMSUKSTGJF-UHFFFAOYSA-N 319.361 1.493 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)Sc2nnc3ccccn23)C[C@@H](C)O1 9447975 HNJATLWNJNZUAK-IJLUTSLNSA-N 320.418 1.846 0 40 DDAB CC[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 91406195 ACIDUQILQXCSBI-TUKIKUTGSA-N 312.435 1.942 0 40 DDAB Cc1cc(C(=O)CN2CCS(=O)(=O)C[C@H]2C)c(C)n1C1CC1 84079444 QYPACTGOLFAXDX-GFCCVEGCSA-N 324.446 1.741 0 40 DDAB CCSCCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 69454353 XDPWYJZNIMUADZ-UHFFFAOYSA-N 322.430 1.820 0 40 DDAB CN(CCN1CCOCC1)C(=O)C1=NO[C@H](c2ccccc2)C1 69560520 FWZUEIZGJVHXME-INIZCTEOSA-N 317.389 1.295 0 40 DDAB O=S(=O)(CCN1CCC[C@H]1Cn1cccn1)c1ccccc1 69659130 HATKUGMNSMSMQG-HNNXBMFYSA-N 319.430 1.821 0 40 DDAB C[C@H](O)CN1CCC(CN(C)CC(=O)Nc2ccncc2)CC1 69658901 YGFDPMRLMRNLBM-AWEZNQCLSA-N 320.437 1.045 0 40 DDAB CC(=O)c1ccccc1OCCOC(=O)C1=NNC(=O)CC1 9538876 IMHMNDLDVSFORD-UHFFFAOYSA-N 304.302 1.077 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2OCC2CC2)CC1 71871467 FJNCEGVXXLUSRU-CQSZACIVSA-N 318.417 1.614 0 40 DDAB Cc1noc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)n1 71817233 YPOAUFRUNKSQMI-UHFFFAOYSA-N 300.240 1.879 0 40 DDAB O=C(Nc1ccc(N2CCCC2)cn1)[C@H]1CCS(=O)(=O)C1 84429033 CNWQXKKRXXSUPD-NSHDSACASA-N 309.391 1.055 0 40 DDAB O=C(CCc1ccccc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84528358 PBOJHLIWHLCOQQ-SJORKVTESA-N 302.418 1.677 0 40 DDAB 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COc1ccc(CCNC(=O)c2ccc[n+]([O-])c2)cc1OC 8707032 VFAIFXGWZKJBLN-UHFFFAOYSA-N 302.330 1.310 0 40 DDAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O 5217308 UHIHTXYPLNHRNY-AWEZNQCLSA-N 305.378 1.627 0 40 DDAB O=C(CCN1CCCS1(=O)=O)NCC1(c2ccccc2)CC1 65462830 ZOSFHNWEAMUSBF-UHFFFAOYSA-N 322.430 1.260 0 40 DDAB COC[C@H](O)CN(C)C(=O)NCc1cc(-c2ccccc2)no1 65440284 XMBOUVAUSRNZER-CYBMUJFWSA-N 319.361 1.490 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)on1 65593927 WHNNADLVAVUXHD-SNVBAGLBSA-N 308.363 1.452 0 40 DDAB O=C(NCCCO)Nc1ccccc1I 65549901 MZQKWANJSBPEQY-UHFFFAOYSA-N 320.130 1.795 0 40 DDAB CC[C@@H](CNC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 65522933 AZSAFAYXMRUUPL-LBPRGKRZSA-N 315.377 1.684 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H]1C 6409561 NZZQOIQMRLVXHF-JHJVBQTASA-N 321.421 1.792 0 40 DDAB Cc1noc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)n1 66825298 WZTAEDFSFVGCSQ-AWEZNQCLSA-N 316.361 1.587 0 40 DDAB C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007785 ZKYXWNQWTVIWJK-VXNVDRBHSA-N 310.297 1.556 0 40 DDAB Cc1oc(-c2nc(-c3ccncc3)no2)cc1S(N)(=O)=O 96005599 HUKAAFSFJQTTIW-UHFFFAOYSA-N 306.303 1.347 0 40 DDAB Cc1cc(NCCNC(=O)[C@@H]2CCC[C@@H](C)C2)n2ncnc2n1 81459574 ZNOIYYMQMPGHOD-DGCLKSJQSA-N 316.409 1.787 0 40 DDAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 8142696 VWBCMAAYIUWOPL-QWRGUYRKSA-N 302.378 1.915 0 40 DDAB Cc1noc([C@H](C)N2CCN(CC(=O)NC3CCCC3)CC2)n1 69376204 WIOUCRJKLUOCGU-LBPRGKRZSA-N 321.425 1.115 0 40 DDAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(-n2cnnn2)c1 8389515 AYBILDABLFNTIA-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB CCO[C@@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 69413937 KEQDJWPDKFXINE-LBPRGKRZSA-N 313.361 1.943 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](C)C2)o1 69439037 AZUMXPFAGJGACP-MRVPVSSYSA-N 305.377 1.192 0 40 DDAB CCOC(=O)CCS(=O)(=O)NCc1ccccc1OC 69601759 SWHXYOXNICHDOK-UHFFFAOYSA-N 301.364 1.068 0 40 DDAB Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 69668192 AOZPZCPGQWSGDK-ZBFHGGJFSA-N 304.390 1.353 0 40 DDAB CNS(=O)(=O)CCN(Cc1ccccn1)C(=O)C(C)(C)C 9418387 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CN(CCN1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 89346225 VFPLBHFGMIJKTK-JKSUJKDBSA-N 321.396 1.655 0 40 DDAB CCc1cc(-n2cnnc2[S@](C)=O)nc(-c2ccccn2)n1 75138726 DFAREIXPWQXLNW-JOCHJYFZSA-N 314.374 1.419 0 40 DDAB Cc1cccc(-c2ccc(C(=O)NCc3nc[nH]n3)c(=O)[nH]2)c1 75124349 UAJRATUOQJBBRU-UHFFFAOYSA-N 309.329 1.398 0 40 DDAB C[C@@H]1CN(C)CCN1CC(=O)Nc1ccnn1C1CCCC1 89939121 AOSONGWRSIMERN-CYBMUJFWSA-N 305.426 1.573 0 40 DDAB CC(C)c1nc([C@H]2CCCN2CC(=O)NC[C@@H]2CCOC2)no1 75581785 INTNUUIPFWLBAF-QWHCGFSZSA-N 322.409 1.483 0 40 DDAB C[C@H](C(=O)Nc1c[nH]nc1[C@@H]1CCNC1)[C@@H](N)c1ccccc1 1549747047 RDKQFCAYSQTCPZ-NJZAAPMLSA-N 313.405 1.761 0 40 DDAB O=C(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)C2CCCC2)nn1 1551457180 AAAFSHPEFJUPBW-WCQYABFASA-N 306.366 1.766 0 40 DDAB CC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(C)cc23)CC1 32073659 QVAFOZXZXYOEPS-INIZCTEOSA-N 315.373 1.766 0 40 DDAB Cc1cnc(C(=O)NCCc2cc(F)cc3c2OCOC3)cn1 41670246 FZBHBVPXIAXRMH-UHFFFAOYSA-N 317.320 1.763 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@H](S(=O)(=O)CC)C1 217946118 FXTWSKKVNJJXDJ-JTQLQIEISA-N 306.380 1.086 0 40 DDAB O=C(O)CN[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391535 LISLRYFKTCKXTM-KGLIPLIRSA-N 306.362 1.898 0 40 DDAB COC(=O)c1cc2ccccc2c(N2CCC(C(N)=O)CC2)n1 32765343 OAXTVIPGRFVIRL-UHFFFAOYSA-N 313.357 1.723 0 40 DDAB COc1cccc2c1[C@@H](C(=O)N1C[C@H](OC)C[C@H]1CO)CC2 560541850 JPMVGHUOVBMGOT-MJBXVCDLSA-N 305.374 1.333 0 40 DDAB CC(C)N1CCC[C@H](Cc2ccc(NCC[S@](C)=O)nn2)C1 72387413 JQGWXVDJAOIBFZ-JLCFBVMHSA-N 324.494 1.930 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1c2ccccc2C[C@H]1C(=O)O 72402074 CASGVVWONVPEQW-QJPTWQEYSA-N 303.314 1.386 0 40 DDAB Cc1noc(C)c1CCN1C(=O)[C@@](C)(c2cnccn2)N=C1O 328863367 ZFZVQSMCMPWZCL-OAHLLOKOSA-N 315.333 1.296 0 40 DDAB CCn1nc(C)c2nc(C)nc(NCCC(=O)NC(C)C)c21 226688091 UZSGLPDHFBCMKO-UHFFFAOYSA-N 304.398 1.790 0 40 DDAB CCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972318 JPUGOQKFZVQOQJ-UHFFFAOYSA-N 304.799 1.876 0 40 DDAB CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12 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40 DDAB Cc1cc(CN2C[C@@H]3COC[C@]3(c3nnc(C(C)C)o3)C2)no1 96208504 NILPGMMCWHUBRQ-MLGOLLRUSA-N 318.377 1.889 0 40 DDAB CC(=O)N1CCn2c(COCc3ccccn3)cnc2[C@@H]1C 96208983 YHSNBZAIXUZYEY-LBPRGKRZSA-N 300.362 1.918 0 40 DDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1CC1)C2 96238198 XKOMAMQNFMSVMU-INIZCTEOSA-N 319.430 1.408 0 40 DDAB O=C1CCCN1CC[C@H]1CCOC12CN(CC1CCOCC1)C2 253616760 RBEIIYIGPKAKDT-INIZCTEOSA-N 322.449 1.516 0 40 DDAB O=C([C@@H]1C[C@H]2CCCC[C@H]2N1)N1CCC(N2CCCC2=O)CC1 253370306 PCUVRMTXCCGVSU-BMFZPTHFSA-N 319.449 1.521 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1 257283091 OWSVUAUSSSRQJZ-CYBMUJFWSA-N 301.394 1.790 0 40 DDAB COCc1c(C(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)noc1C 257254110 KBQNZHPGWPTDON-YRGRVCCFSA-N 312.366 1.178 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 257269576 MQNTXSPXJVGQKG-JTQLQIEISA-N 320.374 1.469 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2ccncn2)C1 257314873 UYXGOWOPMCVXPJ-LBPRGKRZSA-N 304.375 1.440 0 40 DDAB CC(=O)N1CCN(C2CCN(C)CC2)C[C@H]1c1ccccc1 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1.615 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](O)C2)c2cnn(C(C)C)c2n1 44892144 QGLABYWMCJOIHH-GFCCVEGCSA-N 302.378 1.918 0 40 DDAB CCN(CC)CCCNC(=O)c1c(N)cnn1CC(F)F 685936477 ZSQHAURDKWLKJK-UHFFFAOYSA-N 303.357 1.192 0 40 DDAB COC(=O)C[C@@H](NC(=O)CCn1cncn1)c1ccc(F)cc1 52871446 RZLMQNCQGIHGMO-CYBMUJFWSA-N 320.324 1.228 0 40 DDAB CCOc1ccc([C@H](C)N[C@H](C)C(=O)N2CCOCC2)cc1 48286767 WSRULADHSXWORL-UONOGXRCSA-N 306.406 1.983 0 40 DDAB C[C@@H](C(=O)O)N1CCN(CCOc2ccccc2Cl)CC1 51660134 VOGMXWANKGIUOB-LBPRGKRZSA-N 312.797 1.810 0 40 DDAB c1ccc(-n2cccn2)c(CNC[C@@H]2CNc3ccnn3C2)c1 69464646 OCBVFIFOXLUHLT-CQSZACIVSA-N 308.389 1.900 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCCS(C)(=O)=O 72268661 OOSXFZYECWROTQ-KGLIPLIRSA-N 316.467 1.287 0 40 DDAB CCCNC(=O)CNC(=O)c1ncoc1-c1ccc(F)cc1 153335045 FBRPWSSXMLLLKX-UHFFFAOYSA-N 305.309 1.737 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)no1 225401968 DLOJCZNGLVYZPY-NSHDSACASA-N 317.349 1.133 0 40 DDAB O=C(NCC1CCN(c2ncccn2)CC1)NC1CCOCC1 225553780 ZMXPNDZAGFBUFQ-UHFFFAOYSA-N 319.409 1.171 0 40 DDAB COCCNC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 17321485 NYRIRHYWVUAXNW-UHFFFAOYSA-N 304.346 1.134 0 40 DDAB O=C([C@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCCC1 1889122750 ZQUMPNGVKJDVBU-OAHLLOKOSA-N 310.344 1.788 0 40 DDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2ccc3ccccc3n2)C1 1848356815 UKNRCAUVUXLMKN-OAHLLOKOSA-N 312.417 1.344 0 40 DDAB O=C(NCCc1c[nH]cn1)c1ccc(OC[C@H]2CCCO2)nc1 244986259 JMZLYFMCZUJZLD-CQSZACIVSA-N 316.361 1.335 0 40 DDAB COC1(CC(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@H]3C2)CCC1 1565550627 CSLFGYWANRRIKN-CABCVRRESA-N 320.433 1.663 0 40 DDAB COCCN(CCOC)C(=O)CCn1c(=O)oc2ccccc21 4121514 PBWWCVFXBAGTBY-UHFFFAOYSA-N 322.361 1.106 0 40 DDAB CCCc1cc(=O)[nH]c2nnc(S[C@H](C)C(=O)OCC)n12 4250270 ANEMLUXPNQATHB-MRVPVSSYSA-N 310.379 1.414 0 40 DDAB C[C@H](O)CN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4280008 GUBIJNTUYZRNSJ-KWQFWETISA-N 300.742 1.092 0 40 DDAB CN1C(=O)NC2(CCN(C(=O)/C=C/c3ccccc3)CC2)C1=O 16915541 JKFFWBDPUMNDLR-BQYQJAHWSA-N 313.357 1.243 0 40 DDAB Cc1cc(N2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)ncn1 1888965439 HYXCOQRUCNFTBE-CHWSQXEVSA-N 322.359 1.725 0 40 DDAB COc1ccnc(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)n1 2086861056 BUSAJJYIPGYWGR-TXEJJXNPSA-N 315.352 1.592 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N1CC(N2C(=O)CSC2=O)C1 575611050 RTBLJXPCIALYKJ-UHFFFAOYSA-N 324.789 1.789 0 40 DDAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)O)[C@@]1(C2)NC(=O)c2cccnc2N1 12233076 MOLUQBOUIQINHD-DFRZBYGPSA-N 301.346 1.844 0 40 DDAB Cc1sc2ncn(CC(=O)N3CCOC[C@@H]3C)c(=O)c2c1C 40509747 VYBSIRBXIRCFPK-VIFPVBQESA-N 321.402 1.322 0 40 DDAB Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 30343377 PXYUENWTNPLJJJ-HNNXBMFYSA-N 301.302 1.268 0 40 DDAB CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)NC)cc1 30445957 JVEPPKJKJBBWSV-UHFFFAOYSA-N 322.386 1.850 0 40 DDAB CC(C)C[C@H](C)N(C)C(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1 40508858 VYOXSHMAJAEWMQ-JTQLQIEISA-N 318.377 1.128 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)s1 40505306 AITILVKXWRRSNO-KBPBESRZSA-N 324.446 1.524 0 40 DDAB COC[C@H](C)N(C)C(=O)Cn1cnc2ccc(F)cc2c1=O 40553962 KQWQRMDMJIFNOB-JTQLQIEISA-N 307.325 1.029 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)Nc1nnc(C)s1)CC(=O)O2 31847000 UMXQMPXQQRLKEK-UHFFFAOYSA-N 318.358 1.519 0 40 DDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)[C@H]3CCOC3)ccc21 51435116 DHMZBNWPRHTXIA-ZDUSSCGKSA-N 315.373 1.705 0 40 DDAB CCOC(=O)CN(CC(=O)N1CCCC1)Cc1ccc(F)cc1 51557868 GKQYJDDTVITYJN-UHFFFAOYSA-N 322.380 1.813 0 40 DDAB CCn1nccc1CN(C)S(=O)(=O)c1cnn(CC)c1C 20602707 RUVQIOVTARXDAS-UHFFFAOYSA-N 311.411 1.249 0 40 DDAB O=C(NCc1ccco1)c1nnn2c1[nH]c(=O)c1ccccc12 20714855 IUZWDCKYHKXKTG-UHFFFAOYSA-N 309.285 1.094 0 40 DDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cccs1 46051220 RPCIBRXQNVLOOF-CHWSQXEVSA-N 310.419 1.215 0 40 DDAB CC(=O)N(C)CC(=O)N1CCCN(Cc2ccccc2)CC1 46180639 UWJWFXKHBMCKIK-UHFFFAOYSA-N 303.406 1.199 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)c2c(C)noc2C)cc1 60101439 CBQUEQRAGVAVIP-UHFFFAOYSA-N 317.345 1.346 0 40 DDAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cnn1C 46385635 VKRKFJLKEACGBR-VIFPVBQESA-N 314.345 1.550 0 40 DDAB Fc1cccc(-n2ccc(CN[C@@H]3CCc4ncnn4C3)n2)c1 69848478 YAMAWRLWCQRTNF-CQSZACIVSA-N 312.352 1.708 0 40 DDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(NC(C)=O)cc1 21133462 KKJDFFHFLVOAEH-QMTHXVAHSA-N 320.393 1.344 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCc2nc(-c3cccs3)no2)C1 41128765 JBGPMRDRJFDOED-VIFPVBQESA-N 320.374 1.065 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4OC)C(=O)[C@@H]13)O2 3903729 BIRNAPJPYSZWAB-ZJOBFFGXSA-N 315.325 1.155 0 40 DDAB biogenic COC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cn(C)nc1C 2787136 BJBXAOUSZMOAQI-LBPRGKRZSA-N 320.374 1.162 0 40 DDAB Cc1cccc(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 52634838 ZUBHORMBAAHTQH-JSGCOSHPSA-N 310.419 1.441 0 40 DDAB C[C@H]1NC(=S)N(c2cccc(CN3CCOC3=O)c2)C1=O 55179035 GEYXYSKPDDRCRA-SECBINFHSA-N 305.359 1.248 0 40 DDAB C[C@H](C(=O)NCc1ccnc(OC2CCCC2)c1)n1cncn1 41398095 BJMVLNVMIMLXJB-GFCCVEGCSA-N 315.377 1.872 0 40 DDAB C[C@H](NC(=O)NCc1nncn1-c1ccccc1)[C@@H]1CCCO1 41371092 VXNXFHQVORTXMO-JSGCOSHPSA-N 315.377 1.634 0 40 DDAB CN1N=C(C(=O)/N=c2/sc3ccccc3n2C)CCC1=O 102816612 HBAZVWIVZUTOHR-CCEZHUSRSA-N 302.359 1.275 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3ncc(Cl)n3C)CC2)on1 52964624 OHZXNDSXUHNZLQ-UHFFFAOYSA-N 323.784 1.328 0 40 DDAB O=C1CN(C(=O)CCc2cccc(Cl)c2Cl)CCN1 33224991 MIOHMIHHQYCLPM-UHFFFAOYSA-N 301.173 1.884 0 40 DDAB O=S(=O)(NC[C@H]1CCCN1)c1ccccc1C(F)(F)F 53254469 JZPTZEZFPGUMBB-SECBINFHSA-N 308.325 1.736 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)n1 97036681 OJEHAGYFXWPLTP-AWEZNQCLSA-N 323.299 1.720 0 40 DDAB COC(=O)[C@H]1C2[C@H]3[C@H]4C([C@@H]1C(=O)OC)[C@@H]1[C@@H]2C32CCCCC412 101043744 MZDFFTSHVCXPIB-VFBQPMKZSA-N 302.370 1.877 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(Br)c[nH]1 37503642 BKXJSHFUSLCRJW-SECBINFHSA-N 316.199 1.228 0 40 DDAB CC(=O)N1CCC(NC(=O)NC[C@@H](c2ccco2)N(C)C)CC1 47792093 AGVURCPTVAFNAP-AWEZNQCLSA-N 322.409 1.192 0 40 DDAB C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(C)(C)C 23628768 BBIGPPKVYYRQLL-JTQLQIEISA-N 313.423 1.773 0 40 DDAB COc1ccccc1CCNC(=O)CN1CCCCCC1=O 23702999 DIZXGSLQIWFONL-UHFFFAOYSA-N 304.390 1.757 0 40 DDAB O=c1c2ccccc2cnn1C[C@H](O)COCc1ccccc1 42755949 KPPBMCPJAXHSDF-INIZCTEOSA-N 310.353 1.974 0 40 DDAB O=C(NCc1cccc(OC2CCCCC2)c1)c1n[nH]c(=O)[nH]1 72281552 UABVGPZVXKPCKF-UHFFFAOYSA-N 316.361 1.740 0 40 DDAB CCN1CCN([C@@H]2CCN(C(=O)CCc3ccccn3)C2)CC1 106804717 FWSUBVMHDNQXHF-QGZVFWFLSA-N 316.449 1.253 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@H]1OCCc2ccccc21 43511125 ATTKFHVKHXEYHH-SWLSCSKDSA-N 307.371 1.377 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N[C@]1(C(=O)O)CCSC1 43509528 VDWNYSJUVBPXPL-MRXNPFEDSA-N 305.399 1.794 0 40 DDAB Cc1ccn(-c2ccc(C(=O)OCc3nnc(C)n3C)cc2)n1 56234621 IUXUPFQTVOPBRS-UHFFFAOYSA-N 311.345 1.975 0 40 DDAB CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C[C@@H]1CCCO1 107348932 QVJYTARYBNTZQY-HRCADAONSA-N 310.438 1.657 0 40 DDAB O=C(CNc1cccc(Cl)c1F)N[C@H]1CCS(=O)(=O)C1 25896673 HCGNVXIGWJZGGY-QMMMGPOBSA-N 320.773 1.194 0 40 DDAB O=C(CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1)NC1CC1 107567582 QWNGYYIJVKJLFK-SOUVJXGZSA-N 319.449 1.236 0 40 DDAB C[C@H](NC(=O)Cc1ccccc1Br)C(=O)N(C)C 69901144 DLSREGMFHKJMSS-VIFPVBQESA-N 313.195 1.585 0 40 DDAB COC(=O)NCCCC(=O)OC[C@@H]1CN(CC(C)C)CCO1 69949029 CZOBNYFYVOLKNU-ZDUSSCGKSA-N 316.398 1.023 0 40 DDAB C[C@H](C(N)=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27297816 QJAUJPVVXVUDCE-SECBINFHSA-N 317.311 1.284 0 40 DDAB C[C@@H]1CCCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 27342023 FJAAOAGIGCAHDT-CYBMUJFWSA-N 321.396 1.766 0 40 DDAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2nccnc2N)c1 10140286 QQLRZEORGLSUQH-SNVBAGLBSA-N 300.318 1.551 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)n1ccnc1 44850391 DXZJNRFHNZYDCS-CYBMUJFWSA-N 300.362 1.499 0 40 DDAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@@H]1C(N)=O 44871338 OIIOEIMXMNGSAQ-DZGCQCFKSA-N 303.406 1.546 0 40 DDAB CCn1cc(Br)c(C(=O)NC[C@H]2CCCO2)n1 27971337 DZHZNLRJSUFRBR-MRVPVSSYSA-N 302.172 1.574 0 40 DDAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1 10753058 BUDKHMSFYWEAEZ-HNNXBMFYSA-N 316.382 1.751 0 40 DDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 10889363 JAFAVCTXWWLPHI-CABZTGNLSA-N 311.359 1.228 0 40 DDAB Cc1cccc(CN2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)c1 45602274 ZMDKHPGUTIBOHO-UHFFFAOYSA-N 311.385 1.586 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1nncn1C1CC1 48354859 BNTMBZVASBZJSC-SECBINFHSA-N 314.411 1.080 0 40 DDAB CN1C(=O)N(CC(=O)NCCc2ccccc2)C(=O)C1(C)C 12897806 WDKFULOHOGEXMA-UHFFFAOYSA-N 303.362 1.018 0 40 DDAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 11689656 IOFOYWSMYOZHOK-UHFFFAOYSA-N 310.375 1.789 0 40 DDAB Cc1ccc(N2C[C@@H](/C(O)=N/S(C)(=O)=O)CC2=O)cc1F 48480656 SGRPIDWGJKQZHA-VIFPVBQESA-N 314.338 1.403 0 40 DDAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)N(C)C 71914613 QBMGWBBUFZROMP-BXKDBHETSA-N 306.815 1.812 0 40 DDAB CO[C@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 71900066 DFGNLQFYRGROEM-CYBMUJFWSA-N 319.405 1.486 0 40 DDAB Cn1ncc2c(N3CCCN(c4nccs4)CC3)ncnc21 64387456 YENGMQNFDYBNID-UHFFFAOYSA-N 315.406 1.537 0 40 DDAB CCNC(=S)Nc1ccccc1C(=O)N1CCN(C)CC1 5099996 YDFAWIWGZJAXOM-UHFFFAOYSA-N 306.435 1.381 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)COCCc1ccccc1)C2 72279051 XRQINTIESRIFOX-INIZCTEOSA-N 313.401 1.882 0 40 DDAB CCOC(=O)CCc1c(C)[nH]n(-c2nc3ccccc3[nH]2)c1=O 9060186 CGGPOSVKMHPGGN-UHFFFAOYSA-N 314.345 1.846 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2F)n1 6315516 IJQHWYDRAQBPAT-UHFFFAOYSA-N 312.301 1.361 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccc(F)cc1F 65435056 PLTAWQDGWPYZPC-YGRLFVJLSA-N 324.331 1.583 0 40 DDAB CCOc1ncnc2c1CN(Cc1ccn(C)c(=O)c1)CC2 65475348 UXVRENDLYIPTQO-UHFFFAOYSA-N 300.362 1.132 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 9051311 QKVZMMFXIUQOIH-GFCCVEGCSA-N 319.748 1.523 0 40 DDAB CC[C@H](Sc1nnc(C2CC2)n1N)C(=O)Nc1cc(C)on1 14077009 RJNHAUCGYNLGKW-VIFPVBQESA-N 322.394 1.675 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1CC1CC1 65608591 FWMFCCCRMXGCPV-HUUCEWRRSA-N 316.405 1.305 0 40 DDAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc[n+]([O-])cc2)c1 5961865 NQUCFQYYYIHERQ-GFCCVEGCSA-N 300.314 1.812 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cc(Cl)ccc1Cl 7108571 RSGHNGVUAJEBRG-UHFFFAOYSA-N 317.128 1.702 0 40 DDAB CCNc1nnc(SCC(=O)NC(=O)NC(C)(C)C)s1 7246820 XRPUEAFSVXWUPE-UHFFFAOYSA-N 317.440 1.686 0 40 DDAB O=C(Cc1cc(F)ccc1F)NCc1ccc2[nH]c(=O)[nH]c2c1 97106984 KLOLMAYWCXXGKO-UHFFFAOYSA-N 317.295 1.993 0 40 DDAB CCc1ccc(-c2noc(CN3CCN(C(C)=O)CC3)n2)cc1 16699012 SRKDHKAOXWRHCT-UHFFFAOYSA-N 314.389 1.963 0 40 DDAB O=C(CN1CCSC1=O)Nc1cccc(C(=O)NC2CC2)c1 8230709 VGJQXHYDDZGUPA-UHFFFAOYSA-N 319.386 1.686 0 40 DDAB CN(C)C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 69491910 QKQZGAMXQRUSOC-UHFFFAOYSA-N 302.309 1.248 0 40 DDAB CC(C)[C@H](C(=O)NCCOc1ccc(F)cc1)N1CCCC1=O 69460382 TYHKFOYBBYSSND-MRXNPFEDSA-N 322.380 1.968 0 40 DDAB COCCn1nc([C@@H]2CCCNC2)n(-c2ccccc2)c1=O 71749346 SQXUVLGWBOUEDE-CYBMUJFWSA-N 302.378 1.147 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C(C)(C)CO1 96495792 OUTSIPMWBBBZLD-NSHDSACASA-N 308.353 1.581 0 40 DDAB O=C(NS(=O)(=O)c1cccnc1)c1cc(F)c(F)c(F)c1 69705091 RYCYFHFRBNOQOV-UHFFFAOYSA-N 316.260 1.618 0 40 DDAB O=C(c1cn[nH]n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 71819822 VZJOMVUUISYJRU-GFCCVEGCSA-N 300.318 1.553 0 40 DDAB O=C(Cc1ccn(-c2ccccc2)n1)NC[C@@]1(O)CCSC1 84576717 NLUUEMOJXWGYSI-INIZCTEOSA-N 317.414 1.399 0 40 DDAB CN(C)S(=O)(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 72719995 GLFSATCITKYYRQ-HNNXBMFYSA-N 311.451 1.389 0 40 DDAB O=C(Nc1ccc2nn[nH]c2c1)c1cc(-n2cccn2)ccn1 84617990 FWECSVVXCDHYKM-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3cccnc3)C2)C1=O 78899284 FRCRIAKELOGGGH-XJKSGUPXSA-N 302.378 1.234 0 40 DDAB N[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1 95432037 SBUZLLHMYONRRX-HNNXBMFYSA-N 308.378 1.945 0 40 DDAB O=C1CC[C@@H]2CN(C(=O)C3(O)CCCC3)CC[C@H]2N1C1CC1 95450414 HRZYKNVYJWXTSE-TZMCWYRMSA-N 306.406 1.293 0 40 DDAB Cc1nc(C(=O)NC[C@@H](C)CO)nn1-c1ccccc1Cl 95431056 OQVDQVZUGBZYGP-SECBINFHSA-N 308.769 1.587 0 40 DDAB COc1cc(C(=O)NCCC[C@H](C)CO)cc2c1OCCO2 95444069 UUQMTWFBARTQNF-NSHDSACASA-N 309.362 1.605 0 40 DDAB CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)Nc1cnn(C)c1 95448068 XJMYELFOVHGCKR-UHFFFAOYSA-N 324.743 1.810 0 40 DDAB Cc1ccc(C)c(OCC(=O)N2CCOC[C@H]2c2ncon2)c1 95981338 UUEQUKCJAPMLGG-ZDUSSCGKSA-N 317.345 1.665 0 40 DDAB COCCN(Cc1ccccc1)C(=O)c1ccc(C)[nH]c1=O 75118873 HNIYIBNAEOYQEG-UHFFFAOYSA-N 300.358 1.972 0 40 DDAB O=C(COC[C@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 75126130 XYZQMYZMOZHVCX-SECBINFHSA-N 320.267 1.528 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)c(=O)[nH]1 75118416 JNHMYMFBFNAWPZ-UHFFFAOYSA-N 301.346 1.234 0 40 DDAB NC(=O)COc1cccc(CNc2cccc(C(=O)O)c2)c1 408608431 LNTSMLZMLCMWLG-UHFFFAOYSA-N 300.314 1.861 0 40 DDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 66325393 DPVUFMRAQNOQPB-UHFFFAOYSA-N 310.419 1.953 0 40 DDAB Cc1nc(CNC(=O)N2CCN(c3ccccc3O)CC2)no1 74610495 ZVHQGMXLPKSCAD-UHFFFAOYSA-N 317.349 1.115 0 40 DDAB O=C(NCCN1CCCOCC1)NC[C@H]1Cc2ccccc21 187018514 FTBIHXKKRHDDPO-OAHLLOKOSA-N 303.406 1.348 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](CCNS(C)(=O)=O)C2)n1 72369214 RKIWKQHGALFODQ-ZDUSSCGKSA-N 312.439 1.249 0 40 DDAB O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)c1cccs1 530359797 MYQPLPBEZRKTLG-NWDGAFQWSA-N 306.391 1.746 0 40 DDAB Cc1snnc1C(=O)Nc1ccc(N2CCOCC2)cc1 72239912 CXOUILPFQVIQKR-UHFFFAOYSA-N 304.375 1.935 0 40 DDAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2ccccn2)C1 72385179 XNXWUCDKIGRYBE-HNNXBMFYSA-N 304.371 1.844 0 40 DDAB O=C1NCCC[C@H]2c3cc(O)ccc3O[C@]12N1CCCCC1 55246648 OWZTXJOOQNXRBC-YOEHRIQHSA-N 302.374 1.960 0 40 DDAB biogenic CCN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392893 LNLLRHQRKWFQOM-HNNXBMFYSA-N 319.405 1.452 0 40 DDAB CCOC(=O)c1ccc(OCc2nc(N)nc(N(C)C)n2)cc1 31700877 WISRTCBVBCXVHE-UHFFFAOYSA-N 317.349 1.276 0 40 DDAB O=C(CO)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72359079 MBGWYSLLOFJWGP-CYBMUJFWSA-N 315.348 1.981 0 40 DDAB CN1CCC[C@@](O)(CN2CCN(c3ccccc3Cl)CC2)C1 46087340 PGGAEPPWHFJWHW-KRWDZBQOSA-N 323.868 1.919 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(=O)oc2)CC1 44448797 IZPBGUARIMQRQQ-UHFFFAOYSA-N 317.345 1.203 0 40 DDAB CN(C)CCNC(=S)Nc1ccc(N2CCCC2=O)cc1 41466421 MXQNDWYNLDPZHJ-UHFFFAOYSA-N 306.435 1.661 0 40 DDAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1 226852847 OEIMIXRFHDGQRY-ZFWWWQNUSA-N 315.373 1.935 0 40 DDAB Cc1cc(S(=O)(=O)NCc2ccnn2C)sc1Cl 191873671 WXSUJVGGBVGRNS-UHFFFAOYSA-N 305.812 1.922 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 225819577 GMBYMEQZQACVFG-UHFFFAOYSA-N 311.359 1.152 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 225807700 IUDACFQKZWZUCQ-LBPRGKRZSA-N 317.345 1.989 0 40 DDAB CCOC(=O)c1cc(N)n(-c2cccc(S(C)(=O)=O)c2)n1 82822210 UHVXYNJMGOXZBU-UHFFFAOYSA-N 309.347 1.035 0 40 DDAB O=C(O)c1cnc(OC2CCNCC2)c(Br)c1 40447917 SYWVYIPMLSQMNM-UHFFFAOYSA-N 301.140 1.673 0 40 DDAB CN1C(=O)[C@](C)(C(=O)NC[C@@H]2CCCO2)Sc2ccccc21 40774526 IHYOLSNPUVNISI-ZBEGNZNMSA-N 320.414 1.809 0 40 DDAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCCO 222906197 FSGNKFAJLZXBJQ-ZDUSSCGKSA-N 324.396 1.842 0 40 DDAB COc1cccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)c1 40386665 VREXJYXCDHIZLK-SNVBAGLBSA-N 315.333 1.192 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1F 238920936 TVZYYQOVOQYGCS-UGFHNGPFSA-N 309.337 1.901 0 40 DDAB Cc1nc2ccc(NC(=O)NCC3(C)CCNCC3)cn2n1 333349760 RGTRNVDBDBQRCN-UHFFFAOYSA-N 302.382 1.549 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108729 CTZCCEWJJHMAFO-RHSMWYFYSA-N 302.374 1.597 0 40 DDAB Cc1cnc(N2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)nc1 96219396 FJIIOSWJYIBJNF-BBRMVZONSA-N 312.377 1.425 0 40 DDAB C[C@H](NC(=O)c1ccc2nnnn2c1)c1nc2ccccc2[nH]1 96118597 KXQNECBMXFEVOS-VIFPVBQESA-N 307.317 1.492 0 40 DDAB CCC(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244115 VAGSDHISSWVZJS-KRWDZBQOSA-N 316.405 1.709 0 40 DDAB COCCOC1CN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 332033507 ZNLYUFITPRCSDR-UHFFFAOYSA-N 321.345 1.309 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(C)cc1 96454865 JXNBLVCEIPYSAU-CQSZACIVSA-N 310.419 1.078 0 40 DDAB O=C(Nc1cc(F)ccc1O)[C@H]1CC(=O)N(CC(F)(F)F)C1 96452115 ZXEXMSCDYRGOCI-ZETCQYMHSA-N 320.242 1.881 0 40 DDAB Cn1nc(CNC(=O)COc2ccccc2F)c2c1CCOC2 96103981 SVQVSMDJGFIKNP-UHFFFAOYSA-N 319.336 1.327 0 40 DDAB CCS(=O)(=O)NCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 95442529 DNJGCAKTZNFRHR-JTQLQIEISA-N 318.826 1.327 0 40 DDAB CCc1c(Cl)nc(C)nc1NCC(C)(C)NS(C)(=O)=O 96429460 BFWPZNKIDPQUJQ-UHFFFAOYSA-N 320.846 1.741 0 40 DDAB CN(Cc1cccn1C)C(=O)C1CCN(c2cnccn2)CC1 331909747 XXBNOMPQGUWVNK-UHFFFAOYSA-N 313.405 1.690 0 40 DDAB COC[C@H]1CN(Cc2ccccn2)Cc2nnn(CC3CC3)c21 96045565 KCOFOOFVFMYUEN-CQSZACIVSA-N 313.405 1.829 0 40 DDAB CCOC(=O)C[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 96526951 YVJIKJYHNGOYFM-NSHDSACASA-N 313.375 1.557 0 40 DDAB O=C(c1ccco1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025337 DRUXMEAYPXKOFM-CYBMUJFWSA-N 305.355 1.968 0 40 DDAB COCCCN(C)S(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 96421226 LRKXVQQWMOPBHF-UHFFFAOYSA-N 323.418 1.838 0 40 DDAB Cn1ccnc1CN1CC[C@@H]2OCCN(CC3CC3)[C@H]2CC1 248103585 FKIFHMHNOSPOFO-HOTGVXAUSA-N 304.438 1.495 0 40 DDAB OCCOc1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cc1 257335870 YMGPAJOUPRPXHE-KRWDZBQOSA-N 321.417 1.564 0 40 DDAB C[C@]1(c2ncc(CNC(=O)c3ncccn3)cn2)CCCCO1 257209786 BRWOPYKLAZPODP-MRXNPFEDSA-N 313.361 1.612 0 40 DDAB Cc1cnn(CC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)c1 257273623 NHMBGGSOBQADSU-HNNXBMFYSA-N 313.405 1.714 0 40 DDAB OC1(CN2Cc3nccn3C[C@@H]2c2ccccc2)CCOCC1 257316227 VERAVKGSNFXPIM-MRXNPFEDSA-N 313.401 1.982 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 257279960 OIXFFCVIYSRDHI-CYBMUJFWSA-N 317.437 1.571 0 40 DDAB Cn1ccc(S(=O)(=O)N2CCCc3cc(C(=O)O)ccc32)n1 340728340 WOEDNMKIXKYPIP-UHFFFAOYSA-N 321.358 1.260 0 40 DDAB Cn1nccc1CN1CCO[C@H](CCc2ccnc(N)c2)C1 257308798 TYCZEBQKGLNZAX-OAHLLOKOSA-N 301.394 1.231 0 40 DDAB Cn1nc(N)c2ccc([C@@H]3CCCN(c4ccncn4)C3)nc21 257209853 BSEHPVKNZNWRKH-LLVKDONJSA-N 309.377 1.725 0 40 DDAB CCCNC(=O)CCCCn1c(O)nc2ccccc2c1=O 253537729 RPSNHIIJMYUQAN-UHFFFAOYSA-N 303.362 1.799 0 40 DDAB Oc1nc(C2CCN([C@H]3COC[C@H]3O)CC2)cc2ccccc12 257298384 RLKPRAWXWOIAMP-DLBZAZTESA-N 314.385 1.880 0 40 DDAB CO[C@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@]12CCCO2 257322130 WERVSHHXFBUFKO-YOEHRIQHSA-N 311.422 1.868 0 40 DDAB C[C@H](NC(=O)c1cccc(OCC(=O)O)c1)c1cnn(C)c1 262895828 ZMDFVQVCBLLTCG-JTQLQIEISA-N 303.318 1.375 0 40 DDAB Cc1ccccc1C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1O 585278426 DNNMBUVQJWKPPX-SJORKVTESA-N 313.401 1.644 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc2c(c1)OCCO2 585290845 HVBDJLLBCFWEFE-XYPHTWIQSA-N 323.389 1.318 0 40 DDAB COCC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 46335706 WVIMBEOMAFBKPM-UHFFFAOYSA-N 311.385 1.907 0 40 DDAB COc1cccc(S(=O)(=O)CCN2CCC(CO)CC2)c1 69451211 RFXGAKZTVISGSC-UHFFFAOYSA-N 313.419 1.173 0 40 DDAB C[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 85466890 FTMCHTAVGOIUQW-LBPRGKRZSA-N 311.813 1.548 0 40 DDAB COc1cc(OC)nc(N(C)Cc2ccc3c(c2)OCCO3)n1 553249719 VGWQGFITXAOISG-UHFFFAOYSA-N 317.345 1.901 0 40 DDAB Cn1ncc2c(N3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)ncnc21 579617012 LFJGKEQVWMPJFT-KBPBESRZSA-N 320.400 1.936 0 40 DDAB CCCNC(=O)CN1C(=O)N2CCCN=C2c2ccccc21 12142788 IGYCHAKTJDTSAZ-UHFFFAOYSA-N 300.362 1.605 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCC1 17320489 VIGKRSSWQDLBPO-NSHDSACASA-N 314.382 1.505 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 245070548 QONXGSVWOAHLBI-SNPRPXQTSA-N 308.378 1.677 0 40 DDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C5CC5)C[C@@H]4C3)n1)CCC2 1888854250 OYLHBCOEXVFHQD-KBPBESRZSA-N 312.417 1.578 0 40 DDAB O=C([C@@H]1CN(CCc2ccccc2)CCO1)N1CCSCC1 1888866575 SBTSJVXLXWJFDG-INIZCTEOSA-N 320.458 1.505 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1cc(F)ncc1F)C2 1565549017 LMMUODXPRYYYBP-UHFFFAOYSA-N 311.332 1.154 0 40 DDAB CC1CC(C(=O)N2CCCn3nnc(COC(C)C)c3C2)C1 1565545477 GYMHBLQHROZNPE-UHFFFAOYSA-N 306.410 1.982 0 40 DDAB CCOC(=O)CSc1nc(=O)cc(N)n1Cc1ccco1 9418350 WZSAKRKYBHXSHB-UHFFFAOYSA-N 309.347 1.122 0 40 DDAB O=C(/C=C\c1ccccc1)NCc1nnnn1-c1ccccc1 9570653 RQVHINPQEZSERW-QXMHVHEDSA-N 305.341 1.992 0 40 DDAB COc1ccc(S(=O)(=O)CC(=O)Nc2nccs2)cc1 10219367 VOPWTGSUBKCFLE-UHFFFAOYSA-N 312.372 1.564 0 40 DDAB O=C(C1CC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 2055819341 GHZWSKOOOHTLCI-UHFFFAOYSA-N 313.401 1.975 0 40 DDAB O=C(N[C@@H](CO)Cc1ccccc1)c1nc(-c2cccnc2)no1 36569543 WKULUEJJGXOIMK-CQSZACIVSA-N 324.340 1.465 0 40 DDAB C[C@@H]1CCCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1 40007874 YVOPIZWGSXHSGS-ZIAGYGMSSA-N 304.390 1.675 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)N3CCSCC3)cnc12 40542076 BSLGJUKGRVVTPX-UHFFFAOYSA-N 317.414 1.670 0 40 DDAB Cc1cccc([C@@H](CC(=O)Nc2ncccc2O)NC(N)=O)c1 40513981 KVQICZRVSGSZSN-GFCCVEGCSA-N 314.345 1.834 0 40 DDAB Cc1ccc(-c2nc(CC(=O)N3CCNC(=O)C3)cs2)cc1 32087795 XCAKOQNPUOSHIR-UHFFFAOYSA-N 315.398 1.619 0 40 DDAB CCNC(=O)CCS(=O)(=O)Cc1ccc(-n2cccn2)cc1 69777510 DRINIDVQLHXPKJ-UHFFFAOYSA-N 321.402 1.313 0 40 DDAB O=[S@](CCn1cccn1)Cc1nc(-c2ccsc2)no1 69816446 GSLDERGGAQWZNB-FQEVSTJZSA-N 308.388 1.944 0 40 DDAB CC[C@H](C(=O)N1CCC(S(=O)(=O)NC)CC1)c1ccccc1 69845407 GBPUEZGYGBRLNM-HNNXBMFYSA-N 324.446 1.720 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1F 21216205 JIAXEQAMSAXLGF-SECBINFHSA-N 320.349 1.977 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCC1CCCCC1 102303775 DJBZEOOJDOOIHU-OKILXGFUSA-N 304.390 1.634 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 6241983 NTGJUHBPOHVIJV-WBVHZDCISA-N 324.380 1.889 0 40 DDAB CC(C)(CNC(=O)N1CCS(=O)(=O)CC1)Cc1ccccc1 96409650 OKANTLWDQRLODG-UHFFFAOYSA-N 324.446 1.695 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 6593933 DVHFZJPYIJBTNT-UHFFFAOYSA-N 318.826 1.875 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccnc2)cs1 6681654 NKADDTNKGKSRLG-UHFFFAOYSA-N 311.388 1.694 0 40 DDAB CC1CCN(C[C@@H]2CCCN(CCCS(N)(=O)=O)C2)CC1 96424240 IXZBVKNJEMJMPH-OAHLLOKOSA-N 317.499 1.109 0 40 DDAB CCN(CCO)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 96453168 FCNUMLKRCAHRHP-UHFFFAOYSA-N 312.313 1.171 0 40 DDAB Cc1cccc(N2CCN(c3ccc4nnnn4n3)CC2)c1C 8721175 YNQFLCJILFKAMN-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810777 OBNVSAUHHPYDQY-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB COCCNC(=O)CN(C)CC(=O)N(C1=CCCCC1)C1CC1 52917059 KYKQRGGGEYGIRG-UHFFFAOYSA-N 323.437 1.130 0 40 DDAB COc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1 564323 TUMAQHJAHGVQKX-UHFFFAOYSA-N 316.361 1.443 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc3ccsc3c2=O)C[C@@H](C)O1 22186819 WAVFANUPGIWQIW-NXEZZACHSA-N 307.375 1.094 0 40 DDAB O=C(CSc1nccc(C(F)(F)F)n1)N1CCNC1=O 22614452 GWGLFIJQOCJFNJ-UHFFFAOYSA-N 306.269 1.139 0 40 DDAB COCCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OC)=C1C 23219263 WCNNWFRQYRIDSC-GFCCVEGCSA-N 310.375 1.908 0 40 DDAB CCC[C@@H](C)NC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 47196745 KHJOYDFYJDVLIA-SNVBAGLBSA-N 303.362 1.628 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)CCNC(=O)Cc1ccccc1 42535904 LOZRZNMKDJLJET-CQSZACIVSA-N 314.389 1.137 0 40 DDAB COc1ccc(C(=O)N(C)CC(=O)N2CCCC2)c(OC)c1 54480311 QLGISZHCYNORMW-UHFFFAOYSA-N 306.362 1.398 0 40 DDAB O=C(CNC(=O)c1cccc2cccnc12)NCc1ccco1 24181118 AITIQBGFQTUUFF-UHFFFAOYSA-N 309.325 1.874 0 40 DDAB Fc1cnc(N2CC[C@@H]3[C@@H]2CCN3CC2CCOCC2)nc1 107199375 GQTWSXMQMGKQPK-CABCVRRESA-N 306.385 1.695 0 40 DDAB Cc1csc(CNC(=O)c2cnc3ccccn3c2=O)n1 55416523 FBTNPKRXWWOIRR-UHFFFAOYSA-N 300.343 1.389 0 40 DDAB COc1ccc(CNC(=O)CNCCn2cc(C)cn2)cc1 72253063 LQEAXROCPHGFOS-UHFFFAOYSA-N 302.378 1.106 0 40 DDAB Cc1c(CNC(=O)NCCN2CCOCC2)oc2ccccc12 72286298 JGKQKQAHGIQOPN-UHFFFAOYSA-N 317.389 1.873 0 40 DDAB O=C(O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O 35605695 XNENDGPCJPIQDO-UHFFFAOYSA-N 304.277 1.002 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100179774 YYWXQLYAGFRUQP-GRUDOPTHSA-N 309.321 1.973 0 40 DDAB CCNC(=O)CN(CC)C(=O)c1ccc(-c2cnco2)cc1 58062355 GPOKLYHKDXSGDP-UHFFFAOYSA-N 301.346 1.940 0 40 DDAB COc1ccc(CCNC(=O)[C@@H](C)n2cncn2)cc1OC 27579902 VRWBTYODLOJFET-LLVKDONJSA-N 304.350 1.215 0 40 DDAB NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010061 OBLXNOMFCXTZQR-UHFFFAOYSA-N 300.405 1.049 0 40 DDAB COc1ccc(CCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 58265049 DOLPIXUUNDBJAL-NVXWUHKLSA-N 318.417 1.607 0 40 DDAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)nn1C)c1cccs1 44915286 OPRZPJWLTPDWBK-NSHDSACASA-N 306.391 1.996 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cn2)n1 44954229 FAGRQFFVHMAHHD-LLVKDONJSA-N 322.390 1.256 0 40 DDAB Sc1nnc(-c2ccccc2)n1CCCN1CCOCC1 10312561 XQAAKYNIURJMIG-UHFFFAOYSA-N 304.419 1.956 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCc2sccc2C1 28176192 UOXIMMFQUVCKJX-DGCLKSJQSA-N 321.446 1.219 0 40 DDAB CNC(=O)c1ccc(CN(C)c2cncc(-n3cccn3)n2)cc1 48287477 JODUDILQZKKBET-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB O=S(=O)(Cc1ccccc1Cl)Cc1nnnn1C1CC1 45340643 UCZTVZWKMJKDPE-UHFFFAOYSA-N 312.782 1.776 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cn1 3318627 FLSJAOSDWOWFGB-GFCCVEGCSA-N 311.341 1.920 0 40 DDAB O=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2584094 BJUXHAHWMAUFRS-UHFFFAOYSA-N 321.354 1.780 0 40 DDAB CCN(CCO)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 97177284 QACKLQSGHMXJTD-UHFFFAOYSA-N 324.384 1.934 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCC2)C(C)C)c1 3454438 UHMMLAOUVTYOAN-HNNXBMFYSA-N 320.389 1.691 0 40 DDAB NC(=O)[C@H]1CCCN1Cc1cc(Cl)c2c(c1)OCCCO2 12984106 LOARPYCDHWXABH-GFCCVEGCSA-N 310.781 1.951 0 40 DDAB O=C(NCc1ccco1)c1ccc2c(=O)n3c(nc2c1)CCC3 12937740 SIGQQFLWJRKYOG-UHFFFAOYSA-N 309.325 1.866 0 40 DDAB biogenic O=C1NC(=O)c2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 4284085 UTADGGLIHPQPNU-AWEZNQCLSA-N 324.292 1.349 0 40 DDAB COc1cc(Cl)cc2cc(C(=O)N3CCOCC3)c(=O)oc12 9038902 LWNWKNVZADEMHP-UHFFFAOYSA-N 323.732 1.927 0 40 DDAB CN1CCO[C@H](CNC(=O)Cc2c(F)cccc2Cl)C1 65539716 OKENYDLDMBAGQV-SNVBAGLBSA-N 300.761 1.468 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1 6576733 MEOIQQFSWSCSJZ-RAIGVLPGSA-N 305.378 1.883 0 40 DDAB CCN1C(=O)C(=C(C)Nc2ccccn2)C(=O)N(CC)C1=S 6585525 HHQRXVQBMSYNRM-UHFFFAOYSA-N 318.402 1.763 0 40 DDAB CCC[C@H](C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 4680969 MKUMUILWDIEURU-NSHDSACASA-N 316.398 1.897 0 40 DDAB C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)NC1CC1 6916830 HFIGVHPHKAMATD-SSDOTTSWSA-N 313.151 1.668 0 40 DDAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C)c[nH]1 7006995 DZXOQOXFNAAAOT-UHFFFAOYSA-N 308.359 1.588 0 40 DDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1 7141227 IHLDKSGHKVNHDT-ZDUSSCGKSA-N 315.333 1.152 0 40 DDAB CN(Cc1ccccc1Br)C[C@](C)(O)C(=O)O 80210324 LXGWXCAEGWSGFN-LBPRGKRZSA-N 302.168 1.717 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1ccc(Br)s1 7377031 WVZFIJGDOBUHQR-ZCFIWIBFSA-N 314.226 1.824 0 40 DDAB CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCOCC2)CC1 67801047 GUIWBUDPIHICFM-UHFFFAOYSA-N 312.410 1.929 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2ccsc2)c2ccccc2O1 7827540 LYUZQUCAYHWAAW-CYBMUJFWSA-N 302.355 1.902 0 40 DDAB Cc1nc(CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)no1 70014003 HNUFDAOOVVIZAH-LBPRGKRZSA-N 322.390 1.510 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCCC1 70039455 JEYZSFWWHVNUFZ-SJORKVTESA-N 321.465 1.768 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1 70173678 LOSWGXGHALYNPP-VXGBXAGGSA-N 300.399 1.882 0 40 DDAB CO[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 69463046 XRYKCURKLXDDKA-SKDRFNHKSA-N 312.366 1.701 0 40 DDAB NC(=O)COC(=O)c1[nH]nc(-c2ccccc2)c1Br 69582392 HHFHUVIFWXNEAG-UHFFFAOYSA-N 324.134 1.481 0 40 DDAB Cc1nn(C)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91757995 CTPULFODLVKORM-NHYWBVRUSA-N 321.327 1.955 0 40 DDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2Cc3ccccc3C2)C1 69663991 LESUDBLYLXHSDJ-AWEZNQCLSA-N 308.403 1.200 0 40 DDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1 69699639 WTQMXMOTGPIPAN-GFCCVEGCSA-N 317.794 1.969 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc(CC(C)C)n[nH]1)C2 69615261 CSVIWBGKFATUFR-UHFFFAOYSA-N 302.382 1.418 0 40 DDAB Nc1ccncc1C(=O)N1CCN(c2ccc(F)cc2)CC1 82311701 CFABDPYLHJCPIC-UHFFFAOYSA-N 300.337 1.765 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)CC3(O)CCCCC3)C2)no1 71876927 UBXCWMDPFAXJFP-OAHLLOKOSA-N 322.453 1.969 0 40 DDAB CC1CCN(C[C@@H](O)Cn2ncc3ccccc3c2=O)CC1 71825074 VDMWJTQHYZGUPL-OAHLLOKOSA-N 301.390 1.489 0 40 DDAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)CSCC(N)=O)CCO2 71851750 HGTPLDXVGYVGIM-LBPRGKRZSA-N 308.403 1.462 0 40 DDAB Cc1nnc2ccc(N3CCN(C[C@H]4CCCCO4)CC3)nn12 71863711 ASAUCZFKDVTUGB-CQSZACIVSA-N 316.409 1.124 0 40 DDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc2ccccc2[nH]c1=O 71904639 XBNOSRJCCYNFDQ-VXGBXAGGSA-N 322.430 1.782 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccncc3F)CCO2)n1 78889477 MBLVCYKJLPTRHB-LBPRGKRZSA-N 319.340 1.676 0 40 DDAB CN(C(=O)[C@H]1Cc2ccccc2S1)[C@H]1CCS(=O)(=O)C1 23027839 XLKHXHQPYVCSEJ-WCQYABFASA-N 311.428 1.349 0 40 DDAB CN(C)c1cccc(CNC(=O)NCCC2=CCOCC2)n1 95437760 SDSSVLPYJMYMSH-UHFFFAOYSA-N 304.394 1.684 0 40 DDAB CC(C)(CNC(=O)Nc1cncc(Br)c1)C(N)=O 95441709 MFTPBGZQAUZSQP-UHFFFAOYSA-N 315.171 1.477 0 40 DDAB Cc1nsc(NCc2ccc(S(=O)(=O)N(C)C)s2)n1 95403044 SBOCLDYJEUCPKP-UHFFFAOYSA-N 318.449 1.770 0 40 DDAB CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C/c2ccc(F)cc2)CCO1 95407983 JFFMSZXLLLKRKG-ONOODXEBSA-N 320.364 1.593 0 40 DDAB O=C(/C=C/c1ccc2ccccc2n1)N1CCCS1(=O)=O 79052978 QJDVGGIMXLXGRI-CMDGGOBGSA-N 302.355 1.810 0 40 DDAB CN1CC[C@@H](NC(=O)Cc2ccn[nH]2)[C@@H]1c1ccc(F)c(F)c1 95979720 UYFQOHGXABKBKQ-ZBFHGGJFSA-N 320.343 1.792 0 40 DDAB CC(C)(C)NC(=O)CN1CCOC[C@@H]1CC(=O)c1cccs1 95945692 TYFFSXRMIUOCHT-LBPRGKRZSA-N 324.446 1.936 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc3nnnn3n2)n1 89594118 LLUVKPVJKKWHJD-ZDUSSCGKSA-N 312.381 1.392 0 40 DDAB C[C@@H](NCCn1cccn1)C(=O)N[C@H]1CCOc2ccccc21 75133246 XJGILEPZVROFSI-HIFRSBDPSA-N 314.389 1.501 0 40 DDAB CS(=O)(=O)N1CCC(CNC/C=C/c2ccccc2)CC1 75126864 KIXHFXMIMRUNKY-VMPITWQZSA-N 308.447 1.961 0 40 DDAB CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1 75572275 WVVFXTFWMCVFQQ-UHFFFAOYSA-N 310.331 1.961 0 40 DDAB CNS(=O)(=O)c1ccc(NC[C@@](C)(O)c2ccccc2)cc1 1548430193 PNMYUCZQSVPUED-MRXNPFEDSA-N 320.414 1.914 0 40 DDAB Cc1nn(C)cc1CCC(=O)N1CCc2occc2[C@H]1C(=O)O 1549717165 FRIFWDPIQOXHIZ-HNNXBMFYSA-N 317.345 1.465 0 40 DDAB C[C@H]1CCc2onc(C(=O)N3CCC4(CC3)OCCO4)c2C1 20572062 KBBPIUVFWVOEPZ-NSHDSACASA-N 306.362 1.779 0 40 DDAB Cn1cc(NC(=O)NC2(Cc3ccccc3)CCOCC2)nn1 556632806 CWMUHLWETFKYMP-UHFFFAOYSA-N 315.377 1.729 0 40 DDAB COc1ccc2c(c1)C(=O)N[C@@H]2CC(=O)NCc1ccco1 35289236 JFVJDIHBRFBBOA-CQSZACIVSA-N 300.314 1.779 0 40 DDAB O=C(CN1CCN(c2nccs2)CC1)NC1CCCCC1 36437873 YVISXKLVCBTNLO-UHFFFAOYSA-N 308.451 1.714 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCC[C@H](C)C1 32929723 VYPGMORUTFAEGW-JTQLQIEISA-N 314.407 1.465 0 40 DDAB Cc1ccccc1SCCNS(=O)(=O)c1cnn(C)c1 78963412 PDKYBIHJYTWJCE-UHFFFAOYSA-N 311.432 1.799 0 40 DDAB CN(C)[C@H]1CN(C(=O)c2occc2-c2ccccc2)C[C@@H]1O 552439343 IGRYIBCVVCPULO-GJZGRUSLSA-N 300.358 1.694 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241570 JVMZWULPNWSTDU-LSDHHAIUSA-N 308.353 1.592 0 40 DDAB O=C(Nc1nc2c(s1)CCC2)c1cnc2sccn2c1=O 32847983 ZWHOCMWIIQBTHV-UHFFFAOYSA-N 318.383 1.954 0 40 DDAB NC1=N[C@@H](c2ccccc2)C2=C(N1)C(=O)N(Cc1ccccc1)C2 31938243 SAKFLHFWZQOFAC-INIZCTEOSA-N 318.380 1.942 0 40 DDAB CN1C(SCc2ccc(F)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 32508609 VRVUGBVWDBRWNP-NWDGAFQWSA-N 314.407 1.526 0 40 DDAB COC(=O)C1=C[C@H]2CN(Cc3ccccc3)CC[C@@H]2NC1=O 72415081 TUJSMDKSPQSKRJ-ZFWWWQNUSA-N 300.358 1.106 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)cc1F 79102248 ICWQEYTXRFSMGX-UHFFFAOYSA-N 307.310 1.373 0 40 DDAB COC[C@@H](O)CN1CCN(C(=S)Nc2ccccc2)CC1 33757141 GILZTAJMXFZTRR-AWEZNQCLSA-N 309.435 1.008 0 40 DDAB CC(C)(C(=O)N1CCO[C@@](C)(C(N)=O)C1)c1ccccc1F 72378277 DGRPTDCLZQBSRV-MRXNPFEDSA-N 308.353 1.206 0 40 DDAB C[C@@H](CCOc1ccccc1)C(=O)NC[C@H]1CN(C)CCN1C 73092940 WPUMFXNSHHZLKN-HOTGVXAUSA-N 319.449 1.454 0 40 DDAB C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cscn2)C1 72388814 GETQLOPEQRUTGO-CQSZACIVSA-N 319.390 1.159 0 40 DDAB Cc1nc(N)cc([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 72387854 IIYDMIDFPFOVCE-LLVKDONJSA-N 319.390 1.346 0 40 DDAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCOCC1 227150199 MGXOAKSSZRLFEN-CYBMUJFWSA-N 301.346 1.498 0 40 DDAB COc1cc2c(cc1OC)CN([C@H]1CCN(C3CC3)C1=O)CC2 336871133 LJWYQKMHYXXSBH-HNNXBMFYSA-N 316.401 1.825 0 40 DDAB NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2F)C1 45952661 JOZIOJVTBOOEGB-ZCFIWIBFSA-N 301.115 1.426 0 40 DDAB Cc1nccn1CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 49461050 ZCHUHXVCQQRGKG-CQSZACIVSA-N 312.373 1.361 0 40 DDAB CN1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 225735930 CBZCDAMXQMBXJY-UHFFFAOYSA-N 319.792 1.429 0 40 DDAB COc1cc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1O 85877251 UCFXRVMRQNCYER-SNVBAGLBSA-N 301.298 1.839 0 40 DDAB biogenic CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2cnn(CC)c21 96198352 UIEHGSSQACTAOT-AWEZNQCLSA-N 315.377 1.469 0 40 DDAB Cc1ccc(CN2CCc3ncc(Cn4cncn4)n3CC2)o1 96196984 AYHUGAADKVDTSY-UHFFFAOYSA-N 312.377 1.483 0 40 DDAB Cc1cnc(N2CCc3onc(C(=O)NC(C)C)c3C2)nc1 96083714 PEHSMBTVTGKWFK-UHFFFAOYSA-N 301.350 1.474 0 40 DDAB Cc1cc(NC(=O)COc2ccccc2-c2nc[nH]n2)n(C)n1 96484297 CLXALIWUZWYZKT-UHFFFAOYSA-N 312.333 1.531 0 40 DDAB CC1(C)CC(=O)N(CC(=O)N2CCOCC2)c2ccccc21 96183196 QBJWPFWWHDAILA-UHFFFAOYSA-N 302.374 1.560 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@@H]1c1ccc(F)cc1 96181815 IHXXNZRWLFINRS-GJZGRUSLSA-N 306.337 1.346 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1CC[C@H](O)[C@]2(CCCO2)C1 257328304 XFBXCVLRLIKABH-YJBOKZPZSA-N 318.417 1.858 0 40 DDAB Cc1ccc(N2CCC(C)(C(=O)NC3CCOCC3)CC2)nn1 257322714 WHBHXSVYEYGTEF-UHFFFAOYSA-N 318.421 1.687 0 40 DDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)C1CC1 257323461 WKGDJFOXPNAIKS-INIZCTEOSA-N 307.369 1.420 0 40 DDAB CCN(CC)C(=O)CN1CCNC[C@@H]1c1ccc(OC)cc1 257245290 IOVQGABANPYTSM-MRXNPFEDSA-N 305.422 1.510 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cscn3)CCO2)ncn1 257211888 CAYMDRDDGWTIAL-CYBMUJFWSA-N 318.402 1.715 0 40 DDAB Cc1cnn(CC(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)c1 257315575 VCADNHMKARRAEJ-OAHLLOKOSA-N 315.377 1.198 0 40 DDAB COC(=O)c1ccc(NC(=O)C(=O)NCCc2ccoc2)cc1 90607441 IBVNJMDXEXETPL-UHFFFAOYSA-N 316.313 1.364 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@H](O)c1ccoc1 90613211 QLSLUKSJXPYYEV-HNNXBMFYSA-N 320.389 1.826 0 40 DDAB COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)nn1 390835101 CNGVJBHJBCNAQM-UHFFFAOYSA-N 310.313 1.887 0 40 DDAB CC1(C)CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)CO1 585291743 SQKVLXQBTPVSJZ-ONEGZZNKSA-N 322.449 1.683 0 40 DDAB O=C(NC1CCC1)[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096037 NZJQDHYJLCLFQA-CQSZACIVSA-N 302.378 1.235 0 40 DDAB Cc1cc(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)nn1C(C)(C)C 51450082 WYZFAFHXTFTKDO-OKILXGFUSA-N 322.453 1.786 0 40 DDAB Cc1csc(N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)n1 52641655 IGTOQRKWXUZQRD-GFCCVEGCSA-N 305.407 1.558 0 40 DDAB COc1ccc(CNC(=O)CN2CCc3sccc3C2)cn1 58789772 IIJGKTLJEHJLAR-UHFFFAOYSA-N 317.414 1.826 0 40 DDAB CCN(CC(=O)Nc1ccccc1OC)Cc1cnn(C)c1 71016221 RJSGJVIINZFFHX-UHFFFAOYSA-N 302.378 1.889 0 40 DDAB Cc1ccnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 301255319 CXJMDPHMZALTDR-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB CCc1cnc(CN(C)C(=O)c2c(C)c(C)nn(C)c2=O)s1 81083481 HKBAPJVUTOBLRT-UHFFFAOYSA-N 320.418 1.688 0 40 DDAB Cc1noc(CN2CC(Cn3cc(Br)cn3)C2)n1 1889083314 PJPHEZLALYCDJY-UHFFFAOYSA-N 312.171 1.469 0 40 DDAB O[C@@H]1O[C@H]([C@@H]2N[C@@H]2c2cccs2)N2[C@@H](c3cccs3)[C@H]12 114669315 RYUJUWWXTHBUSR-AKJSPJLQSA-N 306.412 1.923 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCCOC2)sc2ncn(C)c(=O)c12 12194493 GVOKRGIPHVSDDN-SECBINFHSA-N 307.375 1.212 0 40 DDAB COc1ccc(CC(=O)N2CCN(c3nccn3C)CC2)cc1 12444506 ZDKWRLDREDFAQQ-UHFFFAOYSA-N 314.389 1.320 0 40 DDAB CCN(CC)C(=O)CSc1nc(O)c(CC(C)C)c(=O)[nH]1 13453778 NASITNYPJZSLBW-UHFFFAOYSA-N 313.423 1.635 0 40 DDAB Cc1cc(C)c2c(=O)c(/C=C3\NC(=S)NC3=O)coc2c1 13471005 IEPWWXLQPUVRHV-YHYXMXQVSA-N 300.339 1.755 0 40 DDAB CCOCCCNC(=O)CCN1C(=O)c2ccccc2C1=O 17401192 URHPCATXEGOUCJ-UHFFFAOYSA-N 304.346 1.216 0 40 DDAB CN(C)C(=O)[C@]1(C)CCCN1C(=O)c1ccc2nsnc2c1 19746747 MSNJNIWPKBDNJM-HNNXBMFYSA-N 318.402 1.774 0 40 DDAB c1cnc(OCC2CCN(c3ccc4nncn4n3)CC2)cn1 1889139837 IEVIETWICWBCGI-UHFFFAOYSA-N 311.349 1.210 0 40 DDAB COc1cc(N2CCN(C(=O)c3cscn3)CC2=O)ccn1 1776007934 NHEZKZMECCMSHN-UHFFFAOYSA-N 318.358 1.036 0 40 DDAB O=C(NCC1(N2CCOCC2)CCSCC1)c1ccno1 1776008333 BFJOBOYOFODUOL-UHFFFAOYSA-N 311.407 1.002 0 40 DDAB CN1C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]2OCC1=O 2037984833 PFLOUPKPFRNSHX-JSGCOSHPSA-N 306.337 1.145 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2C[C@H]1C(=O)O2 106880863 BRMRRNLSAFGLHH-ZJUUUORDSA-N 301.751 1.337 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)Cc1ccsc1)C2 606440610 GREIMDYOZBWGSW-CYBMUJFWSA-N 316.430 1.820 0 40 DDAB O=C(NC(=O)c1ccco1)N[C@@H](C(=O)O)c1ccc(F)cc1 26892921 STXREOKMIZTVFW-LLVKDONJSA-N 306.249 1.684 0 40 DDAB O=C1NCCN(Cc2nnsc2Cl)[C@H]1c1cccs1 72799205 IMRMJVNEKAEDAM-VIFPVBQESA-N 314.823 1.926 0 40 DDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CCCCO1 21735901 KCSPXVASYLFDBR-PXAZEXFGSA-N 316.357 1.785 0 40 DDAB Cc1csc(=O)n1CC(=O)NC[C@@H]1Cc2ccccc2O1 33116842 XCPMTDZMHUHVCW-LBPRGKRZSA-N 304.371 1.338 0 40 DDAB C[C@H](CO)NC(=O)Nc1cccc(I)c1 40526165 HFCAXTLRIVRGPX-SSDOTTSWSA-N 320.130 1.794 0 40 DDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 40513459 BJVYUISVMXYXDY-AWEZNQCLSA-N 320.418 1.525 0 40 DDAB COc1ccc([C@@H](NS(=O)(=O)c2cnn(C)c2)C2CC2)cc1 40527963 BJZGAAQZVILWOY-HNNXBMFYSA-N 321.402 1.858 0 40 DDAB COCCN(CC(=O)N(C)C)Cc1ccc(-n2cccn2)cc1 51920945 JARPBDFZVYKKQU-UHFFFAOYSA-N 316.405 1.409 0 40 DDAB CC(C)c1cc(NC(=O)CN2CCc3cncnc3C2)on1 69489548 FBPSFARHOJDJBQ-UHFFFAOYSA-N 301.350 1.585 0 40 DDAB Cc1sc2ncn(CC(=O)NC[C@@H]3CCCO3)c(=O)c2c1C 109561 CJBJZQGJIQRFJU-NSHDSACASA-N 321.402 1.370 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)Nc1nncs1 21214629 UCASANFHWKWYRZ-UHFFFAOYSA-N 306.372 1.616 0 40 DDAB CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 32780623 ZTBXJSKJNZJWAJ-LBPRGKRZSA-N 304.371 1.494 0 40 DDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC[C@@H]1CCCO1 41231945 PGNXXNBZNQRJGX-ZDUSSCGKSA-N 319.357 1.716 0 40 DDAB O=C(NCc1ccco1)C1CCN(C(=O)N2CCCC2)CC1 32930860 YDOBKIPPIDUWTD-UHFFFAOYSA-N 305.378 1.824 0 40 DDAB Cc1cc(NS(=O)(=O)c2cc(C(N)=O)sc2C)no1 6679867 WZOBZOAJSBLWQK-UHFFFAOYSA-N 301.349 1.253 0 40 DDAB C[C@]1(NC(=O)CCc2cc(F)ccc2F)CCS(=O)(=O)C1 52958312 FJIVTWYHQDKUGB-AWEZNQCLSA-N 317.357 1.591 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1[C@H]1CCCN(c2ncccn2)C1 53086799 CQGWMYCWLFSYMU-LBPRGKRZSA-N 323.356 1.321 0 40 DDAB CN1CCC[C@H](CNC(=O)NCc2ccc3c(c2)OCO3)C1 75607213 XFGNKKYBQFVVSB-CYBMUJFWSA-N 305.378 1.556 0 40 DDAB COc1ccc(CC(=O)N(CC(N)=O)C2CCCC2)c(OC)c1 47236552 HUZKFABKQCZLQH-UHFFFAOYSA-N 320.389 1.503 0 40 DDAB COc1ccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c(OC)c1 42042501 DHLZLYURENCIAP-LBPRGKRZSA-N 321.377 1.111 0 40 DDAB CC(C)Cc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 22851205 CJCSTIJESXMPPU-OALUTQOASA-N 318.461 1.762 0 40 DDAB Cc1ccnc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1 815437 URDCXIQCGHFTMA-UHFFFAOYSA-N 304.371 1.944 0 40 DDAB CC(C)(C)n1nc(C(=O)N[C@@H]2CCCCNC2=O)cc1C1CC1 54003018 FDWXXBVFVJVETI-GFCCVEGCSA-N 318.421 1.914 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)n1 54121093 WCUQKLAVUOUBDS-RYUDHWBXSA-N 318.377 1.095 0 40 DDAB CNC(=O)CN(Cc1c(C)noc1C)Cc1c(C)noc1C 47550707 BDUJGHRFUANUMO-UHFFFAOYSA-N 306.366 1.644 0 40 DDAB O=C(NCCc1ccccc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 101969189 FWHBONQKFBSQES-IYBDPMFKSA-N 313.405 1.838 0 40 DDAB O=c1c2cccnc2ncn1C[C@@H](O)COc1ccc(F)cc1 23400429 UCKNUKXWNMIODF-GFCCVEGCSA-N 315.304 1.371 0 40 DDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCOCC1 23640477 KWVHJZHFEAYCCW-UHFFFAOYSA-N 303.362 1.083 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 24089617 KISDQYIUMYINFH-WMLDXEAASA-N 318.373 1.285 0 40 DDAB Cc1nc(O)c2c(n1)CCN(C(=O)C1[C@@H]3[C@@H]4CC[C@H](C4)[C@@H]13)CC2 100213778 FSQJDEQIJMGPLA-YIKOMLBNSA-N 313.401 1.710 0 40 DDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(F)cc1 55087899 AZQAKLANCJPMFX-UHFFFAOYSA-N 315.352 1.376 0 40 DDAB COc1ccccc1CNC(=O)COC(=O)C1CCOCC1 24934411 JJTZKSQRMXKYDN-UHFFFAOYSA-N 307.346 1.281 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)Nc1c[nH]ccc1=O 47930091 GNDPRDWDEXTWCL-UHFFFAOYSA-N 313.313 1.702 0 40 DDAB Cc1nc(CN(C)c2cc(N3CCC[C@H]3CO)ncn2)cs1 106905974 QLDWDBQXPHUQNM-ZDUSSCGKSA-N 319.434 1.839 0 40 DDAB CCc1ncncc1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 56131556 ZULWAFMPYTXFNB-LLVKDONJSA-N 301.350 1.750 0 40 DDAB Cc1cc(NC(=O)NCCS(=O)(=O)c2ccccc2)no1 56328503 XVQVTCYUFZRWGM-UHFFFAOYSA-N 309.347 1.578 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 26013625 ASUMUAGDLMQEAI-SWLSCSKDSA-N 319.405 1.203 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1 72269387 FBWVPLHDXFXMSI-KBPBESRZSA-N 308.447 1.982 0 40 DDAB NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCCc3ccccc32)O1 108106956 WWEKLCPFYLGMCJ-CFVMTHIKSA-N 302.374 1.256 0 40 DDAB Cc1ccccc1[C@@H](O)CNS(=O)(=O)N1CCC[C@@H](C)C1 108127394 KEYRPXKRTXYXND-DOMZBBRYSA-N 312.435 1.595 0 40 DDAB CNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)cc1OC 26682937 ULQUOACKNINSSE-SNVBAGLBSA-N 303.318 1.172 0 40 DDAB C[C@@H](Oc1ccc(/C=C2/C(=O)N=C(S)N=C2O)cc1)C(=O)O 1865786 ZHMSCNOLSRNRDR-SSDOTTSWSA-N 320.326 1.704 0 40 DDAB COc1ccccc1CN(Cc1cc(=O)[nH]c(=O)[nH]1)C1CC1 48286056 ILRAMPHIYNIIHF-UHFFFAOYSA-N 301.346 1.236 0 40 DDAB C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)N(C)C)CC1 27431090 MYSZIZQNOFEGMG-LBPRGKRZSA-N 315.414 1.311 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C[C@@H](C)O1 35959536 LEAJYJFPYIJOQO-JHJVBQTASA-N 306.362 1.264 0 40 DDAB CC[C@@](C)(NC(=O)c1ccccc1OCCOC)C(=O)OC 58281663 CJJJKCTYLBOFSO-MRXNPFEDSA-N 309.362 1.783 0 40 DDAB COc1cc(CN[C@H](C)CN2CCCC2=O)cc(OC)c1OC 58245719 JEKSVIUIXVMJCO-GFCCVEGCSA-N 322.405 1.813 0 40 DDAB CCOC(Cn1cc(C(=O)NC2CCC(C)CC2)nn1)OCC 58226582 MBGGBLORKIPTGK-UHFFFAOYSA-N 324.425 1.986 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccnc(N(C)C)c1 44915947 GHOIFHPWZVKDNQ-UHFFFAOYSA-N 307.785 1.773 0 40 DDAB Cc1csc(=O)n1CCN1CCC(NC(=O)C2CC2)CC1 44933974 ODEZFNOVXVOZMG-UHFFFAOYSA-N 309.435 1.209 0 40 DDAB c1ccc(-n2nnnc2CN2CCC[C@@H](N3CCCC3)C2)cc1 44975495 MAVPORHLIZAXKF-MRXNPFEDSA-N 312.421 1.723 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc(-c2ccccc2)nc1 58332622 CIKNIPLEMUFKPO-JSGCOSHPSA-N 324.384 1.870 0 40 DDAB CCNC(=S)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 21193780 IZGXZJJQPOATPS-OAHLLOKOSA-N 323.462 1.553 0 40 DDAB COc1ccc(-c2noc(=O)n2CC(=O)NC(C)C)cc1OC 58355192 JOVUTBQRZARFRT-UHFFFAOYSA-N 321.333 1.045 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 3337796 XPLBKBHVZWIDHI-SNVBAGLBSA-N 311.165 1.348 0 40 DDAB C[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccc(N(C)C)cc1 10735402 JBLZSLBGOGBRMP-LLVKDONJSA-N 314.345 1.727 0 40 DDAB COC(=O)c1ccnc(NC(=O)C[C@@H]2CCCCN2C(C)=O)c1 72284927 FBCCXCNKZBSLEV-ZDUSSCGKSA-N 319.361 1.598 0 40 DDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 12740244 KGXXWGZHKUZKAN-NSHDSACASA-N 316.448 1.593 0 40 DDAB CC(=O)c1c(SCC(=O)N[C@@H](C)C(C)C)nc(=O)[nH]c1C 10915207 RHFVBYBEAWJUFK-QMMMGPOBSA-N 311.407 1.534 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)CNC(=O)C1CC1 69564390 YZRGCGOFBIHOQT-OAHLLOKOSA-N 316.401 1.755 0 40 DDAB CC(=O)N1CC[C@H](NCc2cnc3cc(C)ccn23)[C@@H](C)C1 84248034 LKUVJCILIVGDEE-BBRMVZONSA-N 300.406 1.989 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](CCOCC(F)(F)F)C(=O)O 69553914 WNRVREAHHSBTRB-ZETCQYMHSA-N 301.261 1.933 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)CN(C)C2CC2)CC1 69947441 BHRUTFKYISIZJV-UHFFFAOYSA-N 319.453 1.032 0 40 DDAB c1ccc(-n2cc(CN3CCC[C@@H]3Cn3cncn3)nn2)cc1 69617508 RKDOKVPICHXTSW-MRXNPFEDSA-N 309.377 1.523 0 40 DDAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O 4085212 SMVKSHSTPIRGME-STQMWFEESA-N 308.403 1.023 0 40 DDAB biogenic O=C(NC[C@@H]1CCOC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 78606532 MEZARCBQNKVECI-NWDGAFQWSA-N 306.337 1.331 0 40 DDAB Cc1nonc1NC(=O)CSc1nnnn1-c1ccccc1 5059892 VCJPRLZQFKVXEW-UHFFFAOYSA-N 317.334 1.085 0 40 DDAB CCNC(=O)[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 8724590 UAOZCCHYXWDSEA-VXGBXAGGSA-N 307.394 1.527 0 40 DDAB Cc1cc(C)n(CCN2CCO[C@@H](CNc3cccnn3)C2)n1 78893971 DCQARAFSDPFXOT-HNNXBMFYSA-N 316.409 1.103 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 65403938 XRBJCPFDRSZUCQ-LBPRGKRZSA-N 323.824 1.761 0 40 DDAB CCN(C)CCNC(=O)C1(c2cccc(F)c2)CCOCC1 65403883 UYBBPSLHABSVFP-UHFFFAOYSA-N 308.397 1.942 0 40 DDAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCNC(=O)C1 65530479 JYCFIGCIMOTAFG-GFCCVEGCSA-N 315.373 1.384 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CC2)C(C)C)cc1 14188740 ZTUBYHILJQGOES-AWEZNQCLSA-N 310.419 1.577 0 40 DDAB Cc1cccc(OCCC(=O)Nc2cnn(CC(N)=O)c2)c1C 65622801 RXMWYWGODVKEHR-UHFFFAOYSA-N 316.361 1.393 0 40 DDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Cl)CC(=O)N2 4502175 YNYKFJKTZNTHBF-VIFPVBQESA-N 319.748 1.212 0 40 DDAB aggregator CCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 6658101 ACSHDYGHYZZKSZ-YGRLFVJLSA-N 323.345 1.707 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cccc(Cl)c1 6662594 VAUSUEMCZPTJJV-VHSXEESVSA-N 302.808 1.200 0 40 DDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1CCCC1 7134327 YLWUCSLJHONXIX-UHFFFAOYSA-N 301.346 1.139 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2C)c1C 7495357 HTZCXUMOZDXHCQ-VIFPVBQESA-N 307.379 1.721 0 40 DDAB CC1(C)COCCN1C(=O)c1ccc(N2CCOC2=O)cc1 68379798 VCDACODRYZTOJW-UHFFFAOYSA-N 304.346 1.894 0 40 DDAB CCC[C@]1(C)NC(=O)N(Cc2cccc(OCC(N)=O)c2)C1=O 69148105 XQNIQJHINVVIIH-INIZCTEOSA-N 319.361 1.161 0 40 DDAB COC(=O)[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@H]1O 91303001 PYNCMPUDZHHRNB-NEPJUHHUSA-N 313.394 1.948 0 40 DDAB in-vitro CCc1nc(C)ncc1C(=O)N1CCC(C(=O)NC(C)C)CC1 70013465 UNEMCKFBCQONQG-UHFFFAOYSA-N 318.421 1.724 0 40 DDAB Cn1c(CN2Cc3ccccc3C[C@H]2C(N)=O)nc2ccccc21 96489475 HICPEPLBFUDATR-KRWDZBQOSA-N 320.396 1.986 0 40 DDAB Cc1ncc(C(=O)N2CCC(Nc3cccnn3)CC2)s1 71863458 CUHILQCHLYJFKP-UHFFFAOYSA-N 303.391 1.958 0 40 DDAB Cc1nc(C(=O)NCc2cc[nH]n2)nn1-c1ccccc1Cl 71843981 WWONKACZKVWILR-UHFFFAOYSA-N 316.752 1.882 0 40 DDAB Cc1noc(CN(C)[C@H]2CCCN(Cc3noc(C)n3)C2)n1 71870508 YQSRDJWQOGYISB-LBPRGKRZSA-N 306.370 1.166 0 40 DDAB COc1cc2c(cc1CN[C@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 71837459 UVWIJZKYFYFSGM-GWCFXTLKSA-N 311.403 1.295 0 40 DDAB CC(C)[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)C(N)=O 71885826 MJYUSKHFZCUATC-CQSZACIVSA-N 312.316 1.554 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(Cl)ccn1 71903691 SAFCCVZFAZSBEP-SECBINFHSA-N 304.799 1.630 0 40 DDAB O=C(COCC(=O)N1CCCCC1)NCc1ccc(F)cc1 9669300 QEEVBOSJDKKKBP-UHFFFAOYSA-N 308.353 1.471 0 40 DDAB COc1ccc(-c2cc(C(=O)N3CC[C@@H](N)C3)no2)c(F)c1 97228906 GBIJSFRTCCONCS-SECBINFHSA-N 305.309 1.663 0 40 DDAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccco3)CC2)c1 97550202 XSYQNAABHOPVGZ-UHFFFAOYSA-N 301.346 1.768 0 40 DDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCc1ccco1 79495216 RFWASZBGKNYTOS-UHFFFAOYSA-N 304.346 1.605 0 40 DDAB COCc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)no1 79617808 XWHATQAVGZJTTQ-LLVKDONJSA-N 306.322 1.449 0 40 DDAB CCCc1cc(NS(=O)(=O)c2cccc3nonc23)n[nH]1 84758982 YOCBNYYPQUQGDN-UHFFFAOYSA-N 307.335 1.699 0 40 DDAB C[C@H]1CN(CC2CCN(Cc3cn(C)nn3)CC2)C[C@@H](C)O1 95445416 RNHWHVJEMWHHKJ-OKILXGFUSA-N 307.442 1.136 0 40 DDAB CCN(CC)C(=O)C1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 95426475 XPNGRSWNBGIADH-INIZCTEOSA-N 317.433 1.793 0 40 DDAB CC[C@](C)(NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)O 95424532 BONUXYHUNUJNFM-HNNXBMFYSA-N 304.350 1.995 0 40 DDAB CN1C[C@H](C(=O)NCC(=O)c2cccc3ccccc23)CC1=O 95446641 FNZIMGHSXPVRDS-CYBMUJFWSA-N 310.353 1.617 0 40 DDAB CN1CCO[C@@H](CN(C(=O)C2CC=CC2)c2nccs2)C1 95402082 RNQBYKAILQFKDE-CYBMUJFWSA-N 307.419 1.773 0 40 DDAB C[C@H](CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)Cn1cccn1 95996177 QQBSKWINMSEOPP-OAGGEKHMSA-N 319.453 1.645 0 40 DDAB Cc1cc(NS(=O)(=O)c2cc(F)cc(C(=O)O)c2)nn1C 95972479 PDXNJBMPZMKDDO-UHFFFAOYSA-N 313.310 1.367 0 40 DDAB CC(C)C[C@H](N[C@@H]1CCSC1)C(=O)N1CCC(CO)CC1 95967883 BRIBTGMZJARLOU-CABCVRRESA-N 314.495 1.727 0 40 DDAB C[C@H](ONC(N)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 95972267 WTCMEIPINONCAR-MNOVXSKESA-N 305.378 1.731 0 40 DDAB CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1Cl 95963638 OHBMLSAHTPXRNE-ZYHUDNBSSA-N 310.781 1.892 0 40 DDAB CN(C)[C@@H](CNC(=O)NCC[S@@](C)=O)c1cccs1 89312266 SXZQHACIUSKWHT-OVWNDWIMSA-N 303.453 1.029 0 40 DDAB C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CC1 89448702 IKHQBMHMONUADU-LLVKDONJSA-N 307.369 1.741 0 40 DDAB CCN(CC(=O)O)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 89960999 URQUNUNNLNCTIG-CQSZACIVSA-N 318.373 1.472 0 40 DDAB C[C@H]1CN=C(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)S1 89927885 ATIHVEWCVFYKDQ-KBPBESRZSA-N 324.494 1.496 0 40 DDAB CS(=O)(=O)N1Cc2ccnn2[C@@H](CCOc2ccccn2)C1 306144505 ZHHFUKUOMDWJQY-ZDUSSCGKSA-N 322.390 1.064 0 40 DDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C)c1C 184084457 YRRFQVUMVQVOPP-DZGCQCFKSA-N 318.373 1.302 0 40 DDAB COc1nc(C)cc(C(=O)N2CCN(c3ccccc3)CC2)n1 72240438 MWLYJTRYRBMDQN-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB CCc1ccc(OCC(=O)NCCN2CCN(CC)CC2)cc1 42590564 FXRKVUAJNVIHEZ-UHFFFAOYSA-N 319.449 1.382 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cnc(N3CCOCC3)cn2)C1 72364862 CXFXIINVLITPEC-AWEZNQCLSA-N 304.394 1.114 0 40 DDAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NC1CC1 36601307 VENNPQPHCYHNRK-CQSZACIVSA-N 315.373 1.413 0 40 DDAB O=C(NCc1ccccc1)c1cc(N2CCC[C@@H](O)C2)ccn1 79002332 PHBBFYRMQVINOP-MRXNPFEDSA-N 311.385 1.973 0 40 DDAB Cc1cn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O 34614424 GNZKOYFUJWHVLE-UHFFFAOYSA-N 302.374 1.631 0 40 DDAB COc1ccccc1S(=O)(=O)[C@@H](C)C(=O)Nc1cc(C)no1 78556401 SHYFRUMJFAVMNH-JTQLQIEISA-N 324.358 1.793 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72378770 KISHQLVPXSGSKN-CYBMUJFWSA-N 321.406 1.211 0 40 DDAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nccs1 71287545 OVZMDLWVONTBRP-UHFFFAOYSA-N 308.388 1.128 0 40 DDAB Nc1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cn1 521398318 IRTVTWYWHWSPDH-UHFFFAOYSA-N 317.414 1.561 0 40 DDAB Cn1ccc(CCNS(=O)(=O)CC23CCC(CC2)CC3)n1 562403803 ZAICYLUUHOUMLW-UHFFFAOYSA-N 311.451 1.852 0 40 DDAB O=C1CNC(=O)N1CCCN[C@H]1CCC[C@@H]1c1ccccc1 133632262 IWDCSVYZEXCWNF-CABCVRRESA-N 301.390 1.854 0 40 DDAB Cc1nscc1C(=O)N1CCN(C(=O)c2ccco2)CC1 72243093 MYPOKDJVUJBPSY-UHFFFAOYSA-N 305.359 1.643 0 40 DDAB CNc1ccc([C@H]2CN(c3cc(C)nc(N)n3)CCO2)nc1 72388050 SMMQRWITQKYPOY-CYBMUJFWSA-N 300.366 1.382 0 40 DDAB CN(C)C(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 563238190 QXHAQNSWVVYUSU-INIZCTEOSA-N 315.417 1.617 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCCCc2ccco2)c1 224665172 JTHINABFFYDSMI-UHFFFAOYSA-N 323.370 1.977 0 40 DDAB O=C1CNc2ncnc(N3CCN(Cc4ccccc4)CC3)c2N1 41121546 WCTRDDDZFHNYOL-UHFFFAOYSA-N 324.388 1.163 0 40 DDAB COc1ccc(CC(=O)NCCSc2ncn[nH]2)cc1OC 222939277 MKRHOGZNSPVWMN-UHFFFAOYSA-N 322.390 1.273 0 40 DDAB Cc1cccc2cc(C(=O)NCCN3CCOCC3)c(=O)oc12 226035822 GOYSSZDTZUNPCU-UHFFFAOYSA-N 316.357 1.163 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 225958577 BIKNBABTWDFNPT-JTQLQIEISA-N 302.371 1.284 0 40 DDAB CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](C3CCC3)C2)nc1 574256821 MUJXDLPPXPDMCI-OAHLLOKOSA-N 303.362 1.681 0 40 DDAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)NC(C)(C)CO 75165768 FKXGIUIJBXSFPE-CYBMUJFWSA-N 324.352 1.378 0 40 DDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccsc3)C2)nn1 225446256 ATCLTOCVDDOYER-LBPRGKRZSA-N 318.402 1.898 0 40 DDAB Cc1cccnc1NC(=O)[C@H]1CSc2ncc(C)c(=O)n2C1 85473721 OOGQREMLMYGIRS-LLVKDONJSA-N 316.386 1.616 0 40 DDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(COC)C1 96039208 GJMKDFMSLSTZQM-WBVHZDCISA-N 321.421 1.869 0 40 DDAB COc1cc(CN2C[C@@H]3CNC(=O)[C@H](C)[C@@H]3C2)cc(OC)c1 96045709 DGBRYUQALSSATG-FFSVYQOJSA-N 304.390 1.518 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)c1 96070351 FNWYZIKYHRWAAK-INIZCTEOSA-N 324.446 1.338 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cnoc2C)Cc2cn(C)nc21 96068291 WHIZTIWIIZGEOF-GFCCVEGCSA-N 304.350 1.493 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96048294 KNSCXGDUPMBOPM-ZBFHGGJFSA-N 305.378 1.766 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccccc2)C1 92570292 WFZSKYHOGUBTIE-CQSZACIVSA-N 310.419 1.159 0 40 DDAB COCCN1CC[C@@]2(CCCN(Cc3csc(C)n3)C2)C1=O 96223985 VJSQPWXHOAVNOC-MRXNPFEDSA-N 323.462 1.912 0 40 DDAB O=C1CCCN1C[C@H]1CN(C2CCOCC2)Cc2nccn2C1 96066988 ZFIPIMYJIIPIDR-AWEZNQCLSA-N 318.421 1.116 0 40 DDAB CC(C)CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)C1CC1 96041484 HOEMGJIBNXYMNY-BFHYXJOUSA-N 303.424 1.383 0 40 DDAB COC[C@@H]1CCC[C@]12CN(C(=O)Cc1ccccn1)CCO2 97954336 ZFNLMEWEEAKEBR-YOEHRIQHSA-N 304.390 1.668 0 40 DDAB CN1CC[C@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)C[C@@H]12 248081190 AJGZEHZHXBTMOY-IAGOWNOFSA-N 320.458 1.826 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257266111 MBQCTSBJXIPGJN-GFCCVEGCSA-N 319.386 1.695 0 40 DDAB O=C1CCCC[C@]2(CN(CCO)C[C@H]2c2ccccc2F)N1 257217760 DAMJFMRITLVTEL-WMLDXEAASA-N 306.381 1.646 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1 261644665 GXBTYASZEDKJQL-ZDUSSCGKSA-N 313.375 1.158 0 40 DDAB O=C(c1cn[nH]c1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288023 NDVBQTXERWRHOR-YSVLISHTSA-N 313.357 1.169 0 40 DDAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)c(F)c1 585104721 RZSLFSLRVCPHKH-QGZVFWFLSA-N 322.380 1.515 0 40 DDAB COC(=O)/C=C/c1cc(OC)c(OCC(=O)OC)c(OC)c1 141649983 OMRAYVLBMYZORD-AATRIKPKSA-N 310.302 1.442 0 40 DDAB CCOC(=O)/C=C1\SC(=O)CN1CC(=O)Nc1ccccc1 58444284 ZUKKEKJYRRJHAH-JYRVWZFOSA-N 320.370 1.605 0 40 DDAB C[C@H](SCc1ccccc1)C(=O)NCCc1nncn1C 69897037 RMLOJHAVSFVGHN-LBPRGKRZSA-N 304.419 1.796 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N[C@@H]3CCCCNC3=O)cc12 69815766 REEGQGBEFZYSRY-GFCCVEGCSA-N 316.365 1.067 0 40 DDAB CCc1cnc(NC(=O)c2sccc2-n2cnnn2)s1 72303048 GSSYSEXTNPAMBW-UHFFFAOYSA-N 306.376 1.995 0 40 DDAB CCOC(=O)NCCNC(=O)c1c[nH]nc1-c1ccccc1 71898065 IXOIIESZQOXLBE-UHFFFAOYSA-N 302.334 1.553 0 40 DDAB C[C@@H](NC(=O)c1ccnc(F)c1)C1(N2CCOCC2)CCCC1 75092649 DQDRBFUNGKWFLF-CYBMUJFWSA-N 321.396 1.984 0 40 DDAB Cc1cc(=O)[nH]c(CN2CCN(c3ccccc3F)CC2)n1 79065558 WNEUYIGYWALODA-UHFFFAOYSA-N 302.353 1.540 0 40 DDAB OC[C@]1(Cc2cccc(F)c2)CN(C2CCOCC2)CCO1 1615142573 NQCOLPGFFBNPJG-KRWDZBQOSA-N 309.381 1.611 0 40 DDAB CCCOC(=O)c1cc2c(c(OC)n1)COC(=O)[C@]2(O)CC 114220697 NDUQMXKGMAGJAZ-HNNXBMFYSA-N 309.318 1.311 0 40 DDAB CC1(C)CC(Nc2ccc(S(N)(=O)=O)cn2)CC(C)(C)N1 12741200 WQEMDYRYNUFLNY-UHFFFAOYSA-N 312.439 1.450 0 40 DDAB CCn1nccc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 14239321 SXOTXNBGMBMZKD-UHFFFAOYSA-N 322.390 1.340 0 40 DDAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc(F)c1 17055213 YULRTCJYJAVAKG-DZGCQCFKSA-N 320.364 1.695 0 40 DDAB O=C(O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935161 UIFYWYQLPAHCCK-UHFFFAOYSA-N 319.766 1.588 0 40 DDAB CCOC(=O)CS[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 101273918 HZLJDYKIDHESCU-NSHDSACASA-N 311.334 1.754 0 40 DDAB Cn1cncc1CN1CCO[C@](CO)(Cc2cccc(F)c2)C1 643914837 XYHSXQSGRBQURO-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB CCCN1C(=O)NC2(CCN(C(=O)c3ccccc3)CC2)C1=O 17271869 SSLXUKLUESGDQO-UHFFFAOYSA-N 315.373 1.623 0 40 DDAB Cc1nn(CCNC(=O)N2CCOCC2)c(C)c1-c1ccco1 575606471 KJZBJMGOMKTICG-UHFFFAOYSA-N 318.377 1.802 0 40 DDAB NC(=O)[C@H]1CN(C(=O)CN2CCCCCC2)c2ccccc2O1 11232449 HXBZZOYKFKDBCJ-OAHLLOKOSA-N 317.389 1.142 0 40 DDAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)[C@@H]1CCOC1 1888834355 PNJZRELGHAEFRJ-SECBINFHSA-N 315.295 1.442 0 40 DDAB c1nc(C2CC2)cc(N2CCN(c3ccc4nccn4n3)CC2)n1 1889139514 MNLYXUXGVRADFY-UHFFFAOYSA-N 321.388 1.723 0 40 DDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)C1CCOCC1 1775963798 CZBKZRHIOQAEPV-DANNLKNASA-N 320.433 1.565 0 40 DDAB biogenic,in-vitro CC(=O)N1CCC(COc2ncc(Br)cn2)CC1 1775995695 FEEUBJUUMAMLNA-UHFFFAOYSA-N 314.183 1.876 0 40 DDAB COc1ccnc(N2CCC[C@H](COc3ncccn3)C2)n1 1776001019 UYGPGLBCUIWPAU-LBPRGKRZSA-N 301.350 1.571 0 40 DDAB CCc1cnc(OC2CCN(C(=O)c3cnccn3)CC2)nc1 1776007997 QZHICJMNZURUFT-UHFFFAOYSA-N 313.361 1.513 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccnc2)cs1 4063171 AVQDYQHHAMUDRS-UHFFFAOYSA-N 316.342 1.293 0 40 DDAB Cc1nc(C(=O)N2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)cs1 2055839537 GTFTVUDTGRGXRT-FZMZJTMJSA-N 319.390 1.289 0 40 DDAB CCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38488289 ZXFWQRQADXUCQC-UHFFFAOYSA-N 322.434 1.420 0 40 DDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 5146358 PWBCMFRVRQSIEB-MCYUEQNJSA-N 323.707 1.850 0 40 DDAB CCOC(=O)C1CCN(Cc2cnc(NC(C)=O)s2)CC1 20469932 RYDMBHSDPORETC-UHFFFAOYSA-N 311.407 1.877 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1cc(Cl)ccc1Cl 107286595 RWVHXGVXFCVOIG-DXBFQKDVSA-N 304.173 1.855 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@@H]2C1 67897407 AMVLZULNRHLBLB-CVEARBPZSA-N 323.352 1.338 0 40 DDAB biogenic,in-vitro COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c(OC)c1 30871890 XZUVJEQILMGKRR-ZDUSSCGKSA-N 306.362 1.397 0 40 DDAB NC(=O)C1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 40459255 URRRVUQTQIPYHS-CYBMUJFWSA-N 312.797 1.277 0 40 DDAB C[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccnc1 40511895 CGZLMDMKIQPCNN-GFCCVEGCSA-N 311.407 1.151 0 40 DDAB Cn1c(-c2ccco2)nn(CN2CCC(C(N)=O)CC2)c1=S 210278 OIVKSEHUBLLWEH-UHFFFAOYSA-N 321.406 1.366 0 40 DDAB COCCCNC(=S)/C=C1\NCCc2cc3c(cc21)OCO3 101373607 PQZBEMBPFVVDNX-LCYFTJDESA-N 320.414 1.855 0 40 DDAB COCCn1nc(C(=O)NC2CCCCCCC2)ccc1=O 29490587 ZEHNLDMBGLPEOQ-UHFFFAOYSA-N 307.394 1.732 0 40 DDAB CCCCNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 29513933 PULRMZTXVSUJGH-UHFFFAOYSA-N 303.362 1.099 0 40 DDAB C[C@@H]1CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CCO1 29682772 ZLKHVIQERFLYGO-QLFDAEIZSA-N 320.433 1.566 0 40 DDAB NC(=O)NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 29825161 PJQBHKHZEDLUNF-SNVBAGLBSA-N 302.334 1.202 0 40 DDAB CCc1ncc2c(n1)CN(CC(=O)Nc1cc(C)no1)CC2 69893987 PKVWNFSZRWRXMB-UHFFFAOYSA-N 301.350 1.332 0 40 DDAB CNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2629053 FEOJSMSDRHNZND-UHFFFAOYSA-N 323.352 1.228 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)C[C@@H](C)O1 32743617 JJMYUINKYPURCU-CHWSQXEVSA-N 318.373 1.438 0 40 DDAB Cn1c(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc2sccc21 4411433 UHBOOEUXWJWBLJ-JTQLQIEISA-N 322.386 1.692 0 40 DDAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCN(CCO)CC1 75604767 OKEOTSBDQXFCFK-UHFFFAOYSA-N 315.373 1.400 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 7077254 YJHSKXNQTHPMES-UWVGGRQHSA-N 318.826 1.922 0 40 DDAB CCN(CC)S(=O)(=O)NCCCCN1CCC[C@H](C)C1 32929529 FMLXLRVQEWEGDS-AWEZNQCLSA-N 305.488 1.675 0 40 DDAB COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N(C)C)c1C 484181 YYZPXMCHOJSSBA-UHFFFAOYSA-N 310.375 1.893 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cn1cccn1 75602267 SZTKRIRMMUZSTQ-NSHDSACASA-N 307.785 1.942 0 40 DDAB O=C(CNC(=O)c1ccoc1)Nc1cccc(-n2cccn2)c1 53042255 DHMNXUWQMADABA-UHFFFAOYSA-N 310.313 1.834 0 40 DDAB O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccc(=O)[nH]c1 53259516 TTWSKQAXOOZQMN-UHFFFAOYSA-N 315.348 1.913 0 40 DDAB COc1ccc(CNC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1OC 22239415 CNRAAIDOZOJKNO-STQMWFEESA-N 322.405 1.429 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)no1 46971841 PMIAOAVHBOMBHG-DZGCQCFKSA-N 322.409 1.378 0 40 DDAB Cn1cnn(CN2CCN(c3ccc(O)cc3)CC2)c1=S 53492106 QZKPMSYDAWLZGL-UHFFFAOYSA-N 305.407 1.436 0 40 DDAB O=C(NCc1ccoc1)N[C@H]1CCCN(c2ncccn2)C1 47088650 FQAUCLFNYGAYIR-ZDUSSCGKSA-N 301.350 1.538 0 40 DDAB COc1ccc(NC(=O)NCc2ccnc(-n3cccn3)c2)cn1 61310664 GWKBFBHVLNZZEJ-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB FC(F)(F)CN1CCN(Cc2nnsc2Cl)CC1 54170988 VWLVNDJVOVJEOM-UHFFFAOYSA-N 300.737 1.871 0 40 DDAB Cn1c(CO)cnc1S(=O)(=O)Cc1ccc(F)cc1F 97035095 RYTBZCKFDQIIMT-UHFFFAOYSA-N 302.302 1.165 0 40 DDAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCNS(C)(=O)=O 47668600 LABOJFLCFGOBGX-LLVKDONJSA-N 324.402 1.892 0 40 DDAB CCc1nnc(COC(=O)c2nn(-c3ccccc3)nc2C)o1 24289176 VCJUMOOZLPEJSY-UHFFFAOYSA-N 313.317 1.878 0 40 DDAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCCC1 55265524 ZCXKEXFFTKZJCS-ZDUSSCGKSA-N 324.446 1.632 0 40 DDAB COc1ccc(C(=O)N[C@@]2(C(=O)O)CCSC2)cc1OC 43503519 NZJCAWHFZUXLTM-AWEZNQCLSA-N 311.359 1.394 0 40 DDAB C[C@@H](N)CN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 65090401 DVJDRWJKRNANKC-ABAIWWIYSA-N 315.373 1.558 0 40 DDAB Cc1ccsc1-c1cc(NC(=O)CNC(=O)C2CC2)[nH]n1 58228696 CATHUAXSFMZXCG-UHFFFAOYSA-N 304.375 1.911 0 40 DDAB CN(C)C(=O)CNC(=O)CCc1ccccc1Br 48229325 NNSUHKKWHPMIGI-UHFFFAOYSA-N 313.195 1.586 0 40 DDAB Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)o1 44951284 GRVJJIFKMZMSSI-WDEREUQCSA-N 300.380 1.383 0 40 DDAB COC(=O)[C@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 58356358 NBZLAUWVWFROMA-OAHLLOKOSA-N 302.330 1.864 0 40 DDAB CCOC(Cn1cc(C(=O)Nc2cc(C)ccn2)nn1)OCC 58380766 PQJHNZBBEGXJDG-UHFFFAOYSA-N 319.365 1.633 0 40 DDAB COc1ccc(C(C)=O)cc1CN(C)[C@H]1CCCCNC1=O 58370764 XPWBQEFXNSIGKF-HNNXBMFYSA-N 304.390 1.998 0 40 DDAB C[C@@H]1CN(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 48304253 PKVCBYUZSGWVBT-GHMZBOCLSA-N 318.377 1.294 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 3461130 LXCWXRKSWNBTOT-PXAZEXFGSA-N 317.389 1.677 0 40 DDAB O=C1C[C@@H](N(C(=O)/C=C/c2c(F)cccc2F)C2CC2)C(=O)N1 69571575 GFIOUCVGDCBUNT-KTRBRXNASA-N 320.295 1.384 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCc1ccco1 69922472 JANTUUYBEOAGHM-JKSUJKDBSA-N 319.405 1.371 0 40 DDAB O=C(CN1CCC[C@@H]1CO)Nc1ccccc1OC(F)F 63512778 NVWGZDVWUNACNC-SNVBAGLBSA-N 300.305 1.683 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1cc(O)nc2ccccc12 65479761 BNKHZSPMAUMEDK-NSHDSACASA-N 308.341 1.882 0 40 DDAB COC[C@H](C)NC(=O)N1CCN(Cc2csc(C)n2)CC1 65412876 XLEKGXPYIFMUPP-NSHDSACASA-N 312.439 1.314 0 40 DDAB CCOc1ncccc1C(=O)N[C@@H]1CCc2nnc(C)n2C1 65593487 WZDHWLKMASRAPC-LLVKDONJSA-N 301.350 1.125 0 40 DDAB CCCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1C 65552973 NJCOQSVLFXYXHH-UHFFFAOYSA-N 314.393 1.125 0 40 DDAB CCc1noc([C@H](C)N(C)CC(=O)Nc2cccc(C)n2)n1 65589313 PYSSRXBLXJYOQL-NSHDSACASA-N 303.366 1.967 0 40 DDAB NC(=O)c1ccc(OCC(=O)N2CCc3sccc3C2)cc1 14182097 PUVDHGHWOXQEJB-UHFFFAOYSA-N 316.382 1.811 0 40 DDAB CC(=O)N[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)C(C)C 5805453 QMONERPTHXRUGE-CQSZACIVSA-N 317.345 1.941 0 40 DDAB Cc1ccc(OC[C@@H](O)CNCCCN2CCOCC2)cc1 6936267 VQGHYFQAQLESLH-INIZCTEOSA-N 308.422 1.047 0 40 DDAB Cc1ccc(-n2cc(C(=O)NC[C@H]3CCCO3)nn2)cc1C 67261930 WPRHRZSSBPQPPN-CQSZACIVSA-N 300.362 1.793 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccco3)C[C@H]2N1Cc1ccccn1 67897149 UQZPXCABQFMWJB-CVEARBPZSA-N 313.357 1.286 0 40 DDAB biogenic,in-vitro CC1CCC(NC(=O)[C@H](C)NCc2nnc3n2CCCC3)CC1 72299692 DUOWNWQGKLZIAP-MOKVOYLWSA-N 319.453 1.787 0 40 DDAB CCn1nc(C)c(NC(=O)c2cc(C)nc(N(C)C)n2)c1C 72241164 WWUMPWIMYGHULY-UHFFFAOYSA-N 302.382 1.937 0 40 DDAB C[C@@H]1CC(C)(C)C[C@@](CO)(NCCC(=O)N2CCOCC2)C1 96444926 VAXSEYTUHIDGRD-PBHICJAKSA-N 312.454 1.402 0 40 DDAB C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)c1cnn(C)c1 96447214 RUIPTSGIBWXBHN-NSHDSACASA-N 305.386 1.061 0 40 DDAB C[C@H](OCC1CC1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 71830831 RQLCCNDCGCVBCH-BBRMVZONSA-N 316.401 1.891 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71865841 UKWSVVOFNWWJJK-HOTGVXAUSA-N 318.421 1.584 0 40 DDAB CCn1cc([C@H]2OCC[C@H]2CNCc2ccc(CO)o2)cn1 83843508 PNDBYVPUOTWEPO-LRDDRELGSA-N 305.378 1.856 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cc(C)on2)cc1 97164208 FPBPJVNYBPPGLW-LLVKDONJSA-N 322.386 1.884 0 40 DDAB CC(C)c1noc(CCCNC(=O)N2C[C@@H](C)O[C@H](C)C2)n1 72057914 WNNQZCCNJREPIY-VXGBXAGGSA-N 310.398 1.944 0 40 DDAB C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)NC(N)=O 96839881 USCFMXLCXNKWJV-HTQZYQBOSA-N 301.293 1.522 0 40 DDAB Cc1nc2c(c(C)c1CNC(=O)Cc1ccco1)c(=O)[nH]n2C 84019719 ZFEWOGZTBYVCAN-UHFFFAOYSA-N 314.345 1.330 0 40 DDAB Cc1ccc(CC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 97198173 CBLHNOLXWGUPLW-CQSZACIVSA-N 313.405 1.779 0 40 DDAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCC(=O)O 64873054 GOTAIKBVHSYLPF-SSDOTTSWSA-N 302.124 1.417 0 40 DDAB CCC(=O)N1CCC[C@H](C(=O)NC2(C(=O)O)CCCCC2)C1 84718280 UBTHRIKNQRJKGO-LBPRGKRZSA-N 310.394 1.539 0 40 DDAB Cn1cc(CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cn1 95463994 RLMZWAFAKWOFJH-AWEZNQCLSA-N 319.336 1.304 0 40 DDAB O=C1CCN(C(=O)NCCC2Cc3ccccc3C2)CCN1 95440856 FLKRUTAEANXZPZ-UHFFFAOYSA-N 301.390 1.323 0 40 DDAB CCCN(CC(F)F)C(=O)c1cc(S(N)(=O)=O)c(C)o1 88586418 JTBWBKJWEZUOHN-UHFFFAOYSA-N 310.322 1.353 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H]1CC(=O)c1cccs1 95993958 MKPRRTKEFXYKRT-JTQLQIEISA-N 302.421 1.592 0 40 DDAB O=c1ccc(C(F)(F)F)nn1Cc1cc(=O)n2ccccc2n1 89878846 ONBNMGFPKANKSG-UHFFFAOYSA-N 322.246 1.318 0 40 DDAB C[C@@H]1CC[C@@H](CCC(=O)N2CCC(n3cnnc3O)CC2)O1 555529562 NNRXLYDBBGULPK-YPMHNXCESA-N 308.382 1.495 0 40 DDAB CCNS(=O)(=O)c1ccc(OCC)c(NC(=O)OCC)c1 408588774 YOLKESIZFGGPIL-UHFFFAOYSA-N 316.379 1.952 0 40 DDAB COC(=O)COc1cc(Br)c(CO)cc1OC 34772798 XMXLTYAATWKWGN-UHFFFAOYSA-N 305.124 1.502 0 40 DDAB O=C(NC/C=C/c1ccccc1)NC[C@@H]1CCS(=O)(=O)C1 79036078 RBXGEKBOIZZYOA-GBXSZLQWSA-N 308.403 1.434 0 40 DDAB C[C@@]1(C(=O)O)CCCN1CC(=O)NCc1ccc(Cl)cc1 79488026 AKVSNAWWVVMXGV-HNNXBMFYSA-N 310.781 1.895 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 30499639 KJTBJVMAFAMURJ-AWEZNQCLSA-N 323.418 1.873 0 40 DDAB CC(C)c1cccc(S(=O)(=O)N2CCO[C@@H]3CNC[C@@H]32)c1 563800639 WNAXOPLZTWDVDG-LSDHHAIUSA-N 310.419 1.171 0 40 DDAB CNC(=O)c1ccc(NC(=O)c2csc(NC(C)=O)n2)cc1 31835471 FWTFCBCGNSQXBI-UHFFFAOYSA-N 318.358 1.713 0 40 DDAB O=C(NCC[C@@H](O)c1ccco1)c1ccc(Cn2cccn2)o1 72243129 AFVDQGAPHSNNFU-CYBMUJFWSA-N 315.329 1.971 0 40 DDAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCNS(C)(=O)=O)cc1 76956807 FRIIEJRPTFQZTM-LSDHHAIUSA-N 324.446 1.579 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nccs3)nn2)n1 75163921 BGNNPENCPFTNIO-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB CN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 72154259 FPFQQGLUYSMOHV-UHFFFAOYSA-N 320.414 1.489 0 40 DDAB COc1ccccc1NC(=O)Cn1nc2c(cc1=O)CCCC2 72807744 VPYLNFPUGPNRBC-UHFFFAOYSA-N 313.357 1.769 0 40 DDAB O=C(O)c1ccc(Cn2c(Cn3ccnc3)ccc2C(=O)O)o1 78404712 GMYYUSWFQGNIKI-UHFFFAOYSA-N 315.285 1.771 0 40 DDAB COc1ccc(CNC(=O)Cn2cc3c(n2)[C@@H](N)CCC3)cc1 562981080 XDXQCLZWLGEJOT-HNNXBMFYSA-N 314.389 1.544 0 40 DDAB CN1N=C(C(=O)NCc2cccc(Br)c2)CCC1=O 45173715 UKDGNOLXOIMYSL-UHFFFAOYSA-N 324.178 1.674 0 40 DDAB Cc1cc(N2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)ncn1 72388591 OGARFFXQFOEYJC-GFCCVEGCSA-N 300.366 1.551 0 40 DDAB CN(C)[C@@H](CNC(=O)c1cnc(N)cn1)c1ccccc1Cl 573679627 SHVRUTQKIPUJCI-ZDUSSCGKSA-N 319.796 1.745 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H]2CO)nn1-c1ccc(F)cc1 133437101 JIMHWEOZQICKSW-AWEZNQCLSA-N 303.337 1.917 0 40 DDAB O=C(c1ccc(Cl)cc1O)N1CCN(C[C@H]2CCOC2)CC1 85634238 NSLFGECUMRKXHR-GFCCVEGCSA-N 324.808 1.840 0 40 DDAB Cc1n[nH]c(N2CCN(c3cccc(Cl)c3)CC2)nc1=O 41603444 FEYZARWBKFLFOK-UHFFFAOYSA-N 305.769 1.453 0 40 DDAB CCc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)[nH]n1 81722702 QMUTZFBIHVPZNM-UHFFFAOYSA-N 317.393 1.591 0 40 DDAB COCCNC(=O)c1cc(N)ccc1NCCCOC(C)C 225491145 TXPBPNHAJROXFX-UHFFFAOYSA-N 309.410 1.872 0 40 DDAB COc1ccc2c(c1)CN(C1COC1)CC[C@H]1COC(=O)N21 225490935 KAQPVEMAWTUWNW-LBPRGKRZSA-N 304.346 1.625 0 40 DDAB biogenic,in-vitro COCCNC(=S)Nc1nc(C)cc(N2CCC(C)CC2)n1 225899129 OQFMRMNEEVOFDE-UHFFFAOYSA-N 323.466 1.954 0 40 DDAB CC1CCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 222878054 HFCBERVNNDZBTB-OAHLLOKOSA-N 324.446 1.878 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223362826 DZVVDJJNJZWOFB-YPMHNXCESA-N 318.373 1.821 0 40 DDAB CCO[C@H]1C[C@@](O)(CNC(=O)c2c(C)nn(C)c2C)C1(C)C 191792971 YVXFRISNSMNIJM-BLLLJJGKSA-N 309.410 1.333 0 40 DDAB O=C1N[C@@H](c2cc(Cl)cc3cccnc23)N2CCOC[C@@H]12 93883422 MKZQNZOURHADFH-GXTWGEPZSA-N 303.749 1.717 0 40 DDAB COCCn1cnc2ccc(NC(=O)c3cccnc3)cc2c1=O 96114986 FNGPXBKSQOAHTA-UHFFFAOYSA-N 324.340 1.690 0 40 DDAB biogenic CCN(C)c1ncnc2c1CCN(C(=O)c1ccno1)CC2 96255802 BWQURIDCHQHCIK-UHFFFAOYSA-N 301.350 1.162 0 40 DDAB O=C(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239724 KDILBLIXTBXYLA-OAHLLOKOSA-N 322.359 1.951 0 40 DDAB Cn1cc(CN2CCC[C@@]3(CCN(c4nncs4)C3)C2)cn1 96217274 VGQITURKLHPDEZ-OAHLLOKOSA-N 318.450 1.764 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC(C)C)C1 96252916 GKSPNUUJJPGMIL-IJEWVQPXSA-N 321.421 1.653 0 40 DDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCC1)C2 514289147 IQHCJGKEPUWVJS-IAGOWNOFSA-N 307.482 1.390 0 40 DDAB biogenic,in-vitro CCC(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238203 ZRRKDVKVQXTKMI-HNNXBMFYSA-N 307.419 1.408 0 40 DDAB CSc1ccc([C@H](C(=O)O)N2CCC(C(N)=O)CC2)cc1 95368441 YCGCVHJTVFGAQI-CYBMUJFWSA-N 308.403 1.732 0 40 DDAB O=C(O)CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc21 96343463 QKBULOHTRSRXBQ-CQSZACIVSA-N 324.336 1.459 0 40 DDAB O=C(NCc1ccccn1)[C@@H]1CN(CC2CC2)C[C@H]2OCC[C@H]21 96038907 ZKLLHOUYTVXKNX-GVDBMIGSSA-N 315.417 1.445 0 40 DDAB CCOCC(=O)N1CCC2(CCCN2Cc2ccn(C)n2)CC1 96227945 VSBVINOKUHDWGO-UHFFFAOYSA-N 320.437 1.414 0 40 DDAB C1CO[C@H](CN(Cc2nnnn2C2CC2)[C@@H]2CCSC2)C1 96402529 QAGJHDJXCJMMNR-OLZOCXBDSA-N 309.439 1.495 0 40 DDAB c1cc(NC2CCOCC2)nc([C@@H]2COCCN2C2CCC2)n1 96219643 UKNJQWAGPRSNSA-HNNXBMFYSA-N 318.421 1.993 0 40 DDAB Cn1nnc(-c2ccc(OCC(=O)Nc3nccs3)cc2)n1 96223034 UZKMXZJWRHJABR-UHFFFAOYSA-N 316.346 1.351 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2cccnc2-c2ccnn2C)C1 257305893 SRZKZTYUFHGJCJ-ZDUSSCGKSA-N 314.389 1.520 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)cn1 257318275 VNFIECYSBCDZNM-HNNXBMFYSA-N 313.361 1.406 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 257223792 DYWVJIQHGBDSMS-LLVKDONJSA-N 311.432 1.968 0 40 DDAB CCC(=O)N1CCC(c2ccnc3c(C(=O)NC)cnn23)CC1 257299735 RRIKUINJQZPVDD-UHFFFAOYSA-N 315.377 1.205 0 40 DDAB CN(C)c1cccc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1 257323677 WLKHGKLHSPXVGB-HNNXBMFYSA-N 301.394 1.455 0 40 DDAB CNc1cc(CC[C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)ccn1 257269643 MQTZGDHVJARIHW-CYBMUJFWSA-N 315.377 1.320 0 40 DDAB C[C@@H](C(=O)O)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 263553329 MLVNHCKTVRTWFK-YPMHNXCESA-N 304.346 1.361 0 40 DDAB Cc1oncc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C 96362535 IGKYYCQXJMPXFN-OAHLLOKOSA-N 301.346 1.439 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@H]2C 585097284 HQKPKDDUVGMUOM-NSHDSACASA-N 304.350 1.585 0 40 DDAB Cn1ccnc1-c1cnc(C[C@H]2CCN(c3ncccn3)C2)cn1 585178830 HDGVZORQYCQSCF-CYBMUJFWSA-N 321.388 1.736 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(Cc2ccncc2C)C1 585277313 UIPSLEAFRNANMD-QGZVFWFLSA-N 305.422 1.897 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CCCO1 47244512 LCZDFJDMFREXRS-JTQLQIEISA-N 304.375 1.817 0 40 DDAB CCOC(=O)c1ccc(NC(=S)N2CCNC(=O)CC2)cc1 54302056 DEWWDJOPQSZXKE-UHFFFAOYSA-N 321.402 1.382 0 40 DDAB CN(C)c1c(Cl)cccc1NC(=O)NC[C@@H]1COCCO1 56628204 SPJTVAWLFOFXQN-SNVBAGLBSA-N 313.785 1.943 0 40 DDAB NC(=O)[C@H](NCCNC(=O)c1cccs1)c1ccccc1 56178698 VNVSTLSOIBTTIA-CYBMUJFWSA-N 303.387 1.294 0 40 DDAB CN1C[C@H](C(=O)NCCCN(C)c2ccccc2F)CC1=O 55972313 UJTDHIMKWICUAN-GFCCVEGCSA-N 307.369 1.247 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1ccc(Cl)c(Cl)c1 88373396 ZHVXACQSLYWJKF-SNVBAGLBSA-N 304.129 1.919 0 40 DDAB O=C1CCN(C[C@H](O)c2ccccc2Br)CCN1 95433753 CGQYGSABIOEESV-LBPRGKRZSA-N 313.195 1.304 0 40 DDAB O=C(Nc1ccccc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549162969 XKGJNCFBPNNOCH-UHFFFAOYSA-N 301.346 1.847 0 40 DDAB Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 16962237 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CCn1cc(CN2CCO[C@@H]3[C@H](Cn4cccn4)CC[C@@H]32)cn1 2055729691 WFHGKXRRIKYFQB-YESZJQIVSA-N 315.421 1.779 0 40 DDAB Cc1cc(OC2CN(C(=O)/C=C/c3ccco3)C2)cc(=O)o1 206956503 PVEBONBDYARFMB-SNAWJCMRSA-N 301.298 1.844 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(C)C1)OCO2 12364693 BBEUTNFSGQCAKT-SECBINFHSA-N 304.302 1.035 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)n1C 40217607 NMRSLBDVKKGPQR-UHFFFAOYSA-N 307.375 1.374 0 40 DDAB O=C1CSCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 31176629 GKMHFTSAKYNDPU-ZDUSSCGKSA-N 324.377 1.259 0 40 DDAB COc1ncccc1CNC(=O)c1ccc(S(C)(=O)=O)cc1 31319236 IDIWRTSYQMRNSO-UHFFFAOYSA-N 320.370 1.424 0 40 DDAB NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 145947 WMFISDIACZBGTC-UHFFFAOYSA-N 303.318 1.749 0 40 DDAB O=S(=O)(NCCCn1cncn1)C1=Cc2ccccc2CC1 40527702 QPTFPFVLUIOZFB-UHFFFAOYSA-N 318.402 1.575 0 40 DDAB CC(C)n1ncc2cc(C(=O)N[C@H]3CCCCNC3=O)cnc21 40521798 AXLWIPLOGIAXPD-ZDUSSCGKSA-N 315.377 1.411 0 40 DDAB Cc1cc(F)c2c(c1)CCCN2Cc1cc(=O)n(C)c(=O)n1C 40520442 QMYADXNWQHNJAN-UHFFFAOYSA-N 317.364 1.484 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 40597801 ABINEQJIFJUHTF-NSHDSACASA-N 302.827 1.960 0 40 DDAB CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 379415 BOCJHZUQGUWIEN-UHFFFAOYSA-N 322.361 1.767 0 40 DDAB O=c1[nH]nc(SCc2cn3cc(Cl)ccc3n2)c(=O)[nH]1 2638341 YNDDWMJZDCBSAR-UHFFFAOYSA-N 309.738 1.052 0 40 DDAB O=C(Nc1cc(=O)[nH]c(=O)[nH]1)C(c1ccccc1)c1ccccc1 2711326 XQKZXBKGTYPIFY-UHFFFAOYSA-N 321.336 1.834 0 40 DDAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1N 3886658 PKINEYBHSHYABH-UHFFFAOYSA-N 313.423 1.358 0 40 DDAB C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccn1 69416151 MKUYMFHHOOPMIH-SNVBAGLBSA-N 311.341 1.780 0 40 DDAB Cc1cc(C)cc(C(=O)NCC(=O)NCCCn2ccnc2)c1 6528734 MSQXXBBHBNILIU-UHFFFAOYSA-N 314.389 1.436 0 40 DDAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 7287878 PVRPMKYLXNIJDC-GFCCVEGCSA-N 309.410 1.792 0 40 DDAB O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccccn1 52824453 CUOLVNYNWOBGIJ-UHFFFAOYSA-N 318.398 1.817 0 40 DDAB CNC(=O)c1cccc(CNC(=O)N(C)Cc2cc(C)on2)c1 46999259 SELZETZJYMHLEG-UHFFFAOYSA-N 316.361 1.684 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](n2cccn2)C1 69420616 QKJSAGKBQXIGAB-AWEZNQCLSA-N 301.394 1.640 0 40 DDAB O=C(NCCN1CCCCC1)C1CCN(CC(F)(F)F)CC1 53212733 GLKUGHQOTWSQMO-UHFFFAOYSA-N 321.387 1.863 0 40 DDAB CN(CC(N)=O)C(=O)COc1ccc(Oc2ccccn2)cc1 47109452 LKZPCYFAOQHXGK-UHFFFAOYSA-N 315.329 1.196 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3c(C)noc3C)C2)no1 76047349 SUMKVCGASQJVPL-CYBMUJFWSA-N 305.382 1.689 0 40 DDAB O=S(=O)(NCc1nccs1)N1CCc2ccccc2C1 77656955 LBLYIUGKRSZCDP-UHFFFAOYSA-N 309.416 1.536 0 40 DDAB Cc1cccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)c1 9140133 RESIISSGOHNEOQ-UHFFFAOYSA-N 318.406 1.764 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 9644723 UUOPEVYPPIGXRN-CKYFFXLPSA-N 318.320 1.662 0 40 DDAB CCCCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 59381856 KGKBVUFJTLGXQL-UHFFFAOYSA-N 304.799 1.535 0 40 DDAB C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@H](C(N)=O)O1 97084480 OUNOJWMAQQNECB-NOZJJQNGSA-N 310.781 1.350 0 40 DDAB CN1C(=O)N(CC(=O)Nc2nncs2)C(=O)C12CCCCC2 21214550 LGMDLTYRORMQPS-UHFFFAOYSA-N 323.378 1.074 0 40 DDAB CC(=O)c1cc(Br)ccc1NS(=O)(=O)N(C)C 97085419 KQGAMNBHDLGUHB-UHFFFAOYSA-N 321.196 1.870 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(O)cc1F 97046099 FDJBRJSGGUFAHR-SSDOTTSWSA-N 320.242 1.424 0 40 DDAB CN1CCN(C(=O)CCN2C(=O)C(C)(C)c3ccccc32)CC1 57355667 JDQIIYAOSOFCBI-UHFFFAOYSA-N 315.417 1.475 0 40 DDAB CC(C)C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C(=O)O 3276841 JNVHWCIOBJHXIY-LLVKDONJSA-N 315.347 1.162 0 40 DDAB COc1ccc(CCNC(=O)COC(=O)c2ccccn2)cc1 3246330 MYPOJDSKQRAJIK-UHFFFAOYSA-N 314.341 1.606 0 40 DDAB C[C@@H]1CN(Cc2ccccc2NCC(=O)N(C)C)C[C@@H](C)O1 55869852 XWLACMVNTDLLAQ-ZIAGYGMSSA-N 305.422 1.796 0 40 DDAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccco2)c1 29460112 FBZOQYYJEIIGGH-UHFFFAOYSA-N 308.359 1.971 0 40 DDAB Cc1ccnc(NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 57252175 HIEKPYPQKFHVKU-AWEZNQCLSA-N 317.389 1.746 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@H](C)Cn1cccn1 72281263 HEBBPYYUKPMRGP-ZYHUDNBSSA-N 304.398 1.239 0 40 DDAB COc1cc(CNC(=O)c2ccc(-n3cncn3)cc2)ccn1 48279475 XAXFNZYXTSULFX-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCc2c1cnn2C 26850729 YBCVZOTWYVCFSE-LLVKDONJSA-N 310.379 1.381 0 40 DDAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)CN(C)C1=O 3314269 JBRVDBBZTKGMRT-UHFFFAOYSA-N 303.362 1.318 0 40 DDAB Cc1nc(S(=O)(=O)N(Cc2cnn(C)c2)C(C)C)cn1C 58196182 ZTDBGXSZKOONEO-UHFFFAOYSA-N 311.411 1.061 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(N)=O 72290076 RBFBNVKOYFCPBT-BZNIZROVSA-N 315.373 1.900 0 40 DDAB COc1ccc([C@H](C)NC(=O)C2=NN(C)C(=O)CC2)c(OC)c1 44909007 WVNWFSGVISNYIK-JTQLQIEISA-N 319.361 1.489 0 40 DDAB C[C@H](NC(=O)NCc1nnc2n1CCCCC2)[C@@H]1CCCO1 44966670 PUWNRFJBAGQRSJ-RYUDHWBXSA-N 307.398 1.371 0 40 DDAB O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc(=O)[nH]n1 72270361 KYCVUALTCQVTML-UHFFFAOYSA-N 315.720 1.861 0 40 DDAB O=C(NCc1cc[nH]n1)[C@H](c1ccccc1)N1CCSCC1 58344030 SURFJNCXGPXHHV-HNNXBMFYSA-N 316.430 1.816 0 40 DDAB CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1C 22250804 MQRMHJDZDQLYOU-UHFFFAOYSA-N 306.406 1.846 0 40 DDAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(C2CCCC2)C1 48332490 JQRLXGXQPRWSKU-CYBMUJFWSA-N 301.390 1.531 0 40 DDAB NC(=O)C1CCN(C(=O)NCCOc2ccc(F)cc2)CC1 28995522 KTKJSGRXKURANZ-UHFFFAOYSA-N 309.341 1.111 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1)C(=O)NC(C)(C)C 72289313 PYZDCCIKEZKWEK-ZIAGYGMSSA-N 319.449 1.926 0 40 DDAB C[C@H]1CN(C(=O)/C=C/c2nc3ccccc3[nH]c2=O)C[C@H](C)O1 12943002 FQMKWZWKRKWIME-BRQSLIGTSA-N 313.357 1.572 0 40 DDAB CC(C)(C)c1ccc(NC(=O)CCn2[nH]c(=O)ccc2=O)cc1 12927923 JBTRGNOVIDXWPC-UHFFFAOYSA-N 315.373 1.863 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326688 MEXBNLHYLRUZHM-NXEZZACHSA-N 302.334 1.654 0 40 DDAB CN1[C@H](Cc2ccncc2)[C@@H](O)c2ccccc2S1(=O)=O 13681638 BWWNEDNLPBXBGS-HIFRSBDPSA-N 304.371 1.360 0 40 DDAB COc1ccc(CNC(=O)CSc2ncn[nH]2)cc1OC 6009331 GHVNDPFLQWBAIZ-UHFFFAOYSA-N 308.363 1.230 0 40 DDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3nccn3c2)on1 69666543 STBVARAXDUEQDX-JTQLQIEISA-N 314.301 1.815 0 40 DDAB CCc1ccc(CN(C)C(=O)CNC[C@@H]2CN(C)CCO2)cc1 69617185 BSVYHMDFXVTJKM-QGZVFWFLSA-N 319.449 1.128 0 40 DDAB C[C@H](Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCNC1=O 97139963 NJHGAPXHWVLIRJ-LBPRGKRZSA-N 313.361 1.284 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCCn2ncnc21 65475677 QJXUQZOVMYVJNQ-UHFFFAOYSA-N 300.318 1.029 0 40 DDAB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cnn(C)c1 65589765 MBDOSCJJSSTHDC-ZDUSSCGKSA-N 309.391 1.386 0 40 DDAB CC(=O)c1cnn(-c2cc(N3C[C@@H](C)O[C@H](C)C3)ncn2)c1C 5346601 XIDCJSZHTWKCOM-GHMZBOCLSA-N 315.377 1.787 0 40 DDAB C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1nnc2n1CCC2 65607270 BRXSWYLJTYHZCY-LLVKDONJSA-N 310.357 1.878 0 40 DDAB O=C(c1cccc2[nH]ncc12)N1CCCN(c2cccnn2)CC1 69947747 NZZBLZMNTBRSLA-UHFFFAOYSA-N 322.372 1.705 0 40 DDAB Cc1cc(N)nc(SCn2nnc3ccccc3c2=O)n1 7048178 HCZJJWADJYLUAP-UHFFFAOYSA-N 300.347 1.222 0 40 DDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1cncc(F)c1)C2 90168635 DKVIZRBZXHYXJY-NSHDSACASA-N 310.354 1.019 0 40 DDAB O=C(Cn1nnnc1CCCc1ccccc1)NCC1CCC1 80293294 LAXALBZACZYSDI-UHFFFAOYSA-N 313.405 1.765 0 40 DDAB COc1ccc(CCNC(=O)[C@@H](C)Sc2nncn2C)cc1 7857899 PKEWBBQSUYCFQO-LLVKDONJSA-N 320.418 1.663 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 92770631 LNSBJHAZXMIRHP-CQSZACIVSA-N 324.446 1.504 0 40 DDAB COC(=O)[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccccc1C 97148062 HGNYKOQFFVQSIW-CJNGLKHVSA-N 314.389 1.714 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)NO[C@H]2CCCCO2)cc1 69348380 JXYYNBFWXOEKTK-VSGCLNPGSA-N 304.346 1.634 0 40 DDAB Cn1ccnc1CN1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 93131927 JXDVOYLANJWVOA-UHFFFAOYSA-N 316.453 1.759 0 40 DDAB COC(=O)[C@@H](CC(C)C)OC(=O)c1cnc2c(c1)nnn2C 96004178 WSMCHLJSWPGLAE-LLVKDONJSA-N 306.322 1.108 0 40 DDAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N)cn2)cc1 96012725 YWHUKZDVTGWLHS-JTQLQIEISA-N 315.329 1.856 0 40 DDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccco2)C1 19626652 KEXFJJZSBRKBFU-SNVBAGLBSA-N 304.350 1.161 0 40 DDAB O=S(=O)(Cc1nnnn1-c1ccc(F)cc1)c1ccccc1 9305164 ZDVDQSOLAURTFE-UHFFFAOYSA-N 318.333 1.775 0 40 DDAB O=C(CN1CSCC1=O)N1CCN(c2ccccc2F)CC1 9470614 CZKGZTQICGRHRY-UHFFFAOYSA-N 323.393 1.007 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)n1 71828032 ALMALFFQDSJTGS-CQSZACIVSA-N 314.393 1.200 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N2CCCc3cccc(F)c32)c[nH]1 71853520 JCSUXGOLZCMUKU-UHFFFAOYSA-N 324.333 1.994 0 40 DDAB CCc1cccc2c(C(=O)N3CCN(C[C@@H](C)O)CC3)c[nH]c12 71875855 BRFDDBLJJJAFCM-CYBMUJFWSA-N 315.417 1.869 0 40 DDAB CN(C)C1(CNC(=O)COc2ccccc2F)CCOCC1 71905376 QKQINSMKVZIAGP-UHFFFAOYSA-N 310.369 1.432 0 40 DDAB COCCN1CCC[C@@H](Nc2nc3ccccc3c(=O)[nH]2)C1 95381573 MIPPRVHQXCBLSS-GFCCVEGCSA-N 302.378 1.446 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)CSc2ccccc2O)C1 95406453 IPFQUDMNEXNBPD-LBPRGKRZSA-N 308.403 1.611 0 40 DDAB CC[S@](=O)c1ccccc1C(=O)Nc1cnc(N(C)C)nc1 95434658 KCTZKLYPYQDCPW-JOCHJYFZSA-N 318.402 1.922 0 40 DDAB C[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)N1CCSCC1 95406170 FLVIJDBQIKWODW-NSHDSACASA-N 317.414 1.862 0 40 DDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1ccco1 79491987 QKFASLZKHJJVNH-UHFFFAOYSA-N 318.373 1.648 0 40 DDAB Nc1noc(CCNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)n1 98016487 IJOHFYJZTLJBLD-GUYCJALGSA-N 312.373 1.605 0 40 DDAB CCc1nc(CC(=O)NC[C@@H]2CCN(CCOC)C2)cs1 68477515 JESSQVVHRQRKHN-LBPRGKRZSA-N 311.451 1.333 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(Br)s1 89401243 RZDXQDVGDNPRKO-CBAPKCEASA-N 320.208 1.619 0 40 DDAB Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3C)c2)c(=O)[nH]1 75120043 SZDPCJUPWVDXLH-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB CC(C)NC(=O)COC(=O)CCC(=O)N[C@H](C)c1ccccc1 89885251 WYDQECNVDYRBIJ-CYBMUJFWSA-N 320.389 1.712 0 40 DDAB CC1(C)[C@H]2CN(C(=O)c3ccc(CNS(C)(=O)=O)o3)C[C@H]21 89917686 NTKRXYSCCGJUED-PHIMTYICSA-N 312.391 1.057 0 40 DDAB COc1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1)CC2 65474995 SKOKMMYAHQJHMQ-OAHLLOKOSA-N 303.337 1.716 0 40 DDAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2cnc(C)[nH]2)C3)n1 1550528543 YULUWEOVYGGLSD-XHDPSFHLSA-N 301.350 1.603 0 40 DDAB O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CCNCC1 38478369 VFGHUGDKTSBANT-STQMWFEESA-N 309.207 1.984 0 40 DDAB CCOc1ccc(C(=O)NC)cc1S(=O)(=O)NC(C)C 408700050 AGIUHPAOOIPMBF-UHFFFAOYSA-N 300.380 1.132 0 40 DDAB CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1ccc(O)c(OC)c1 408731601 NVUCGQQERRUWNP-ZDUSSCGKSA-N 305.334 1.407 0 40 DDAB CC[C@H]1CN(C(=O)c2cnc3ccc(OC)nn23)CCCO1 521395375 YRXLJAJYBASHRJ-NSHDSACASA-N 304.350 1.379 0 40 DDAB COc1ncccc1NC(=O)COc1cn(C)c(C)cc1=O 524733691 GFQVUXAKAICLMX-UHFFFAOYSA-N 303.318 1.115 0 40 DDAB COC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218420059 NVTZOBTVXRSMQW-AVGNSLFASA-N 303.811 1.442 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)cc1 183130144 IGLNNDDBBZZTNQ-CYBMUJFWSA-N 312.435 1.752 0 40 DDAB Cc1cc(Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n2ncnc2n1 73803042 VHKFBFDAJULSOW-SECBINFHSA-N 310.317 1.896 0 40 DDAB CCOC(=O)[C@@H]1CC(C(=O)OCC)(C(=O)OCC)CCC1=O 36415673 AZZZPEZAKWSDAJ-SNVBAGLBSA-N 314.334 1.031 0 40 DDAB CC(C)(C)C(=O)N[C@@H](C(N)=O)c1nnc(-c2ccccc2)o1 41157857 RHOWMSBPSDDSNY-JTQLQIEISA-N 302.334 1.425 0 40 DDAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccncc1 46418342 ZLVPHVZGAZZJFM-UHFFFAOYSA-N 309.329 1.776 0 40 DDAB Cc1cc(N2CCC[C@H](O)C2)n2nc(-c3nccn3C)cc2n1 72338484 IAXUYEVPXMOOQU-LBPRGKRZSA-N 312.377 1.399 0 40 DDAB CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 77938659 VTBNODQQDGHGOW-HIFRSBDPSA-N 304.390 1.855 0 40 DDAB Cc1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 41091373 FKMHTBIJROVMNC-UHFFFAOYSA-N 304.327 1.932 0 40 DDAB Cc1ccccc1C(=O)NCc1nccc(N2CCOCC2)n1 224167767 BEHSWCWJZFVAKZ-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB CCOc1cccc2cc(-c3nn(CC(=O)O)c(=O)o3)oc12 40448209 LULWYHXPGYGMER-UHFFFAOYSA-N 304.258 1.733 0 40 DDAB O=C(CN1CC(C(F)(F)F)C1)Nc1ccc2c(c1)OCCO2 574520018 XMALBIBBXLZXCV-UHFFFAOYSA-N 316.279 1.890 0 40 DDAB CCc1nn(C)c(OC)c1CNC(=O)c1cccc2cn[nH]c12 89369776 MISMJPWEVHOGBT-UHFFFAOYSA-N 313.361 1.797 0 40 DDAB CCc1ncc(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)s1 428190067 DPICIRKSWQUXAP-LMLFDSFASA-N 312.416 1.279 0 40 DDAB Cc1ccc(CN(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1 225755586 ZYMCVUOAVGZFNG-UHFFFAOYSA-N 324.446 1.815 0 40 DDAB Cc1nc([C@@H]2CN(CCOc3cccc(F)c3)CCO2)no1 95958024 DSPRCPBAWZVYCV-AWEZNQCLSA-N 307.325 1.969 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cn1 95475031 WLCHJZFDPSTNNR-SNVBAGLBSA-N 324.344 1.288 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12 96041424 ARISBDMFUOOYSU-SQWLQELKSA-N 315.373 1.592 0 40 DDAB CC(C)(C)c1ccccc1S(=O)(=O)N[C@H]1CCC(=O)NC1 96428060 ZWEOILARXRYVGF-NSHDSACASA-N 310.419 1.541 0 40 DDAB CCc1cnc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)nc1 96182266 WXNXSTIBZKRWHV-IYBDPMFKSA-N 323.400 1.642 0 40 DDAB O=C(c1ccco1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188361 MSQSIMAAANCDPW-CQSZACIVSA-N 314.389 1.844 0 40 DDAB Cn1cc(CN2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)cn1 96108188 HESJDIKOEGSCQA-DLBZAZTESA-N 316.405 1.346 0 40 DDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cnn(C)c3)C2)n1 97953408 IPODHJLXPWESLZ-MGPQQGTHSA-N 303.366 1.259 0 40 DDAB Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccco1)C2 96187539 FSGBRBUKYNTDHX-UHFFFAOYSA-N 300.362 1.765 0 40 DDAB CC(=O)N1CCOC[C@]2(CN(Cc3cccs3)CCO2)C1 96049899 YIVZTUPNLVHYLL-HNNXBMFYSA-N 310.419 1.198 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cccnc2)Cc2cnn(C)c21 96060083 ZXVCBZJDUOSMEQ-CQSZACIVSA-N 300.362 1.591 0 40 DDAB CC(C)CN1C[C@H]2CCN(C(=O)C(C)C)CC[C@H]2S1(=O)=O 96145602 SFRFBUINPSCDIP-ZIAGYGMSSA-N 316.467 1.551 0 40 DDAB COCC[C@H]1CO[C@@]2(CCCN(C(=O)c3cncn3C)C2)C1 96073436 NTNJKZYLKDAGLO-CJNGLKHVSA-N 307.394 1.468 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c(O)c1 96410555 YMCAUSLNLJOFQR-AWEZNQCLSA-N 302.378 1.467 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN[C@H]1CCCC[C@H]1C(N)=O 249268042 JLQLYRXAKCTUDU-YUELXQCFSA-N 315.417 1.598 0 40 DDAB CCCn1cc(Cl)c(C(=O)N2CCOC[C@H]2c2ccn[nH]2)n1 257245713 IQSPRYOXRJGJOO-LBPRGKRZSA-N 323.784 1.883 0 40 DDAB CNC(=O)CN1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 257252456 JUVFADKWLHEBOO-AWEZNQCLSA-N 302.374 1.670 0 40 DDAB O=C(Cc1ccsc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257302276 SCGKATXKRMJQHT-IIAWOOMASA-N 308.447 1.785 0 40 DDAB CN1CCC(C(=O)N2CC(Cc3nccc4cc[nH]c34)C2)CC1 257251374 JQMARTHTXNGJDP-UHFFFAOYSA-N 312.417 1.906 0 40 DDAB CN(C(=O)Cn1ccc2ccc(F)cc21)[C@@H]1CC[C@@H](O)[C@@H]1O 257205835 BAULSBYJECCJOZ-XNRPHZJLSA-N 306.337 1.123 0 40 DDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccno2)n1 257252371 JUPADVFFVOTRLC-ZDUSSCGKSA-N 315.333 1.078 0 40 DDAB NCCN(CCc1ccccc1)C(=O)c1ccc2c(c1)CNC2 261812016 WWGZUFNRHQEYMO-UHFFFAOYSA-N 309.413 1.933 0 40 DDAB CC1(C)C[C@H](O)c2cccc(NCC(=O)N3CCNC3=O)c2O1 901461117 KLFJLCARCADYDV-LBPRGKRZSA-N 319.361 1.245 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C=O)CC2)cc1 585139810 GPDVMEBCIBTICY-UHFFFAOYSA-N 324.446 1.837 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@](CO)(Cc2ccccc2F)C1 585275666 HTUGMWFFRVZNKH-QGZVFWFLSA-N 319.380 1.663 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccn2)o1 44918393 MZUDPBAAWZFIQI-SECBINFHSA-N 309.347 1.074 0 40 DDAB C[C@@]1(NC(=O)Cc2ccc(Cl)cc2)CCS(=O)(=O)C1 57475836 NTFNNLLJDVUNIP-CYBMUJFWSA-N 301.795 1.576 0 40 DDAB CN(C)c1cc(C(=O)NCCNC(=O)CC2CCCC2)ccn1 69558502 XPKPQDUWLKINNH-UHFFFAOYSA-N 318.421 1.574 0 40 DDAB CC(C)CNC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 65565217 IONHMWBKBJGRDI-UHFFFAOYSA-N 300.362 1.421 0 40 DDAB CC(C)[C@H](NC[C@H](O)c1ccccc1F)C(=O)N1CCOCC1 95985487 BSPCJQOMTWBGKG-HOTGVXAUSA-N 324.396 1.332 0 40 DDAB O=C(O[C@@H]1CCOC1=O)c1ccc(S(=O)(=O)C(F)F)cc1 5428377 GPEMCNUQBMDJFZ-SECBINFHSA-N 320.269 1.155 0 40 DDAB O=C(O)C[C@@H](NC(=O)OCc1ccccc1)[C@H]1CCCNC1 12648414 VFQOFJQVKVEXIY-UONOGXRCSA-N 306.362 1.756 0 40 DDAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\NC(=S)N=C1O 17836437 UFKNVXBWMBITCM-QBQSQJOESA-N 300.343 1.754 0 40 DDAB CC(=O)N1CC(C(=O)NCC2(c3ccccc3Cl)CC2)C1 19747223 ODSQSWGVCBLDDE-UHFFFAOYSA-N 306.793 1.966 0 40 DDAB O=C(NC1CC1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 107147270 NTIDTMHPTVNLMQ-ZBFHGGJFSA-N 303.406 1.331 0 40 DDAB CO[C@@H]1C[C@@H](c2nncn2C)N(c2cc(C)nc(C3CC3)n2)C1 515238990 MWQFWYYXLFMTGL-OLZOCXBDSA-N 314.393 1.757 0 40 DDAB NC(=O)CSc1nnc(SC[C@@H]2CCCCO2)s1 22533600 TUKAFAWXNRXQNF-ZETCQYMHSA-N 305.450 1.777 0 40 DDAB O=C(NC1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(F)cc1 25211020 KHHXRZIWZDDJGW-OAHLLOKOSA-N 320.364 1.726 0 40 DDAB Cc1nn(CC(=O)NC[C@H]2CCCO2)c(C)c1Br 27981697 IVPYUGSYEIKQFK-SNVBAGLBSA-N 316.199 1.558 0 40 DDAB COc1cnc(C(=O)N2CC3(CCN(CC(C)C)C3)C2)nc1 1432602254 MBUOBPQRLIMIRK-UHFFFAOYSA-N 304.394 1.289 0 40 DDAB Cc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)ncn1 585359606 KRGAINIOCDWTJG-NSHDSACASA-N 315.329 1.597 0 40 DDAB O[C@@H]1CCCN(Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)C1 247959969 PRGUSTUJRDFUNH-ZIAGYGMSSA-N 314.433 1.987 0 40 DDAB c1cnc(OC[C@@H]2CCCN(c3nccn4nccc34)C2)cn1 2298212805 XPOBQLADHMHCFX-CYBMUJFWSA-N 310.361 1.815 0 40 DDAB CCOC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 36657818 AJZCIRPDPQHJCZ-UHFFFAOYSA-N 302.330 1.414 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1 186803 NTOYCJOGDKRRIM-UHFFFAOYSA-N 301.346 1.969 0 40 DDAB COc1ccccc1[C@H](C)N(C)S(=O)(=O)c1cnn(C)c1 40539663 UJRALYVABGAKCP-NSHDSACASA-N 309.391 1.810 0 40 DDAB C[C@@H](NC(N)=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 40529402 MHUYAVWNURDKNL-ZCFIWIBFSA-N 306.244 1.018 0 40 DDAB COC(=O)CN(CC(=O)NC1CCCC1)Cc1ccccc1 40554931 LRTFEBMDCCRHIV-UHFFFAOYSA-N 304.390 1.720 0 40 DDAB Cc1ccc(CN(CCN2C(=O)NC(C)(C)C2=O)C2CC2)o1 51967643 MFSJTTSBHVAVBE-UHFFFAOYSA-N 305.378 1.883 0 40 DDAB Nc1nccnc1C(=O)NCc1ccccc1Cn1cccn1 11741868 MBAMGNLVYXIDFY-UHFFFAOYSA-N 308.345 1.234 0 40 DDAB O=C(COC(=O)c1cc[n+]([O-])cc1)NCc1ccccc1Cl 2632144 NNBSGJUKMUUDSJ-UHFFFAOYSA-N 320.732 1.447 0 40 DDAB Cc1cnn(C[C@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)c1 71875836 MZGJKYRLDHUEQK-UONOGXRCSA-N 314.393 1.473 0 40 DDAB O=c1cc(CN(C[C@H]2CCOC2)C2CC2)nc2sccn12 52753206 LOGIOXNXDAZRCF-LLVKDONJSA-N 305.403 1.757 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccncc2)cc1 6583108 XHPBOWBXUBPVME-UHFFFAOYSA-N 318.398 1.870 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)N[C@@H](C)Cn2ccnc2)cc1 41451813 YVZOQPZNBILQEQ-WFASDCNBSA-N 318.377 1.313 0 40 DDAB O=C(OCCCc1nc2ncccn2n1)c1ccn2cncc2c1 97034350 FZLFPUGJDJDBHU-UHFFFAOYSA-N 322.328 1.562 0 40 DDAB Cc1cc(=O)n2c(SCC(=O)c3ccccc3)nnc2[nH]1 102609090 QULVRBRZOSUOGR-UHFFFAOYSA-N 300.343 1.701 0 40 DDAB Cc1cnc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cn1 22702069 LQCSVEMMZMYEGM-UHFFFAOYSA-N 312.377 1.184 0 40 DDAB COC[C@H]1CN(C(=O)NCC2(c3ccccc3F)CC2)CCO1 76087133 FLUDEGKZNSYHET-CYBMUJFWSA-N 322.380 1.914 0 40 DDAB O=C(CN1CCC[C@H]1c1nnc2n1CCCCC2)NCC1CC1 72291803 VRPGXSZAIXKISY-AWEZNQCLSA-N 317.437 1.668 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)sc1C 72297355 YSPLJSWUBCRJNF-NWDGAFQWSA-N 307.419 1.745 0 40 DDAB COc1ccsc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76052587 AVLLSFWJOJVKPJ-VXGBXAGGSA-N 310.419 1.549 0 40 DDAB CCCCCc1nnc(NC(=O)N2CC[C@H](C(N)=O)C2)s1 47721646 KQOAIJXQWTVZKZ-VIFPVBQESA-N 311.411 1.610 0 40 DDAB CC(=O)NCC1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1 47773693 KLJAMERAODDSBO-NSHDSACASA-N 308.382 1.158 0 40 DDAB NC(=O)NC(=O)CCSc1ncnc2sc3c(c12)CCC3 54358720 PQYZLQALVSABHC-UHFFFAOYSA-N 322.415 1.857 0 40 DDAB O=S(=O)(CCn1cnc2ccccc21)NC[C@H]1CCCO1 24700509 RYNWVFPBCVUGRQ-GFCCVEGCSA-N 309.391 1.135 0 40 DDAB COCCN1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C 72268113 WDOIAYVEGXURIH-OAHLLOKOSA-N 311.470 1.478 0 40 DDAB COc1ccc(-c2noc(CN3CC[C@H](C(N)=O)C3)n2)cc1 48035014 SXKWSQUVWRTBRE-NSHDSACASA-N 302.334 1.052 0 40 DDAB Cn1ncc2c(NCCOc3ccc4c(c3)OCO4)ncnc21 44976415 UNMCWVWWTVKWET-UHFFFAOYSA-N 313.317 1.583 0 40 DDAB CN(C)C(C)(C)CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 44909172 RRGVYXRSCTTYAO-UHFFFAOYSA-N 314.389 1.303 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1sccc1-n1cccc1 58366093 MOBPMHNNZZXSBG-NSHDSACASA-N 303.387 1.937 0 40 DDAB C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N1CCc2sccc2C1 48301333 YRRPIKYFYBTNHJ-YPMHNXCESA-N 321.446 1.089 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 69952131 RSCYXNSBUYQXPN-OAHLLOKOSA-N 301.394 1.721 0 40 DDAB CCOc1ccc2oc(C(=O)OCC(=O)NC(N)=O)c(C)c2c1 3519611 QZWIOLMOMNCNHC-UHFFFAOYSA-N 320.301 1.492 0 40 DDAB COC[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 96428182 QLVQOCUXUHUQEI-QMMMGPOBSA-N 309.309 1.761 0 40 DDAB C[C@@H](CNC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 65434625 BRSREIFCYAMLHG-NSHDSACASA-N 301.350 1.294 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 65414400 GXPQTVGKAKHCRB-MRXNPFEDSA-N 317.433 1.146 0 40 DDAB CC(=O)NCCNC(=O)c1sc(N2CCCC2)nc1Cl 65402483 PAVBRFUBUDTOHT-UHFFFAOYSA-N 316.814 1.263 0 40 DDAB O=C1CCN(c2ncnc3sc4c(c23)CCCC4)CCN1 14021269 HXGUSMNSIIPPSJ-UHFFFAOYSA-N 302.403 1.896 0 40 DDAB CS(=O)(=O)NCCC(=O)N1CCc2ccc(Cl)cc21 65520705 KFGTWEFLMUJIMG-UHFFFAOYSA-N 302.783 1.168 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)NCC(F)(F)F)n1 6505427 IXTQVMGUCUIXGN-UHFFFAOYSA-N 309.313 1.493 0 40 DDAB COc1nc(C)cc(C)c1CNC(=O)N(C)Cc1cnn(C)c1 67101305 GBVCOGJIDAQUMM-UHFFFAOYSA-N 317.393 1.782 0 40 DDAB CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 80190819 PTGPGDGZKVLCEQ-CHWSQXEVSA-N 311.813 1.989 0 40 DDAB C[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)NC1CC1 7555995 BXNOTOBYXCOPHN-JTQLQIEISA-N 305.330 1.211 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 19791864 KPPPRBSSKFAOIA-VXGBXAGGSA-N 306.362 1.506 0 40 DDAB CCCNC(=O)CNC(=O)c1cc(F)ccc1Br 8032657 QZGIAJUKTPYOFM-UHFFFAOYSA-N 317.158 1.844 0 40 DDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C)nc1 69348698 GVTCBEBIRFCFCV-ZWNOBZJWSA-N 307.419 1.820 0 40 DDAB Cc1[nH]c(C(=O)NCC(=O)N(C)C)c(C)c1C(=O)OC(C)C 8401981 KBVTYBWUEVPXAP-UHFFFAOYSA-N 309.366 1.015 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1cnc2sccc2c1=O 8428952 PYASEXABDNMBSX-UHFFFAOYSA-N 308.363 1.082 0 40 DDAB C[C@H]1CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[C@H](C)CO1 69571356 HPJOBIXAXJLWMU-OLZOCXBDSA-N 319.405 1.543 0 40 DDAB Cc1noc(CCNC(=O)N[C@H](C)COc2ccccc2F)n1 69769769 ZQVYOOPBQBQCFD-SNVBAGLBSA-N 322.340 1.826 0 40 DDAB O=c1cc(CN2CCC[C@@H]2Cn2cccn2)nc2ccccn12 69740556 GMQONDWXMZQXNH-OAHLLOKOSA-N 309.373 1.556 0 40 DDAB C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)[C@@H]1CCOC1 71894328 HJNQEGVZZDKHOP-JHJVBQTASA-N 312.410 1.879 0 40 DDAB CC(C)c1noc(CCC(=O)NCC2CCC(C(N)=O)CC2)n1 72314203 JLDIQEIALITWPQ-UHFFFAOYSA-N 322.409 1.534 0 40 DDAB Cc1cnccc1N1CCC(C(=O)N2CCOC[C@@H]2C)CC1 72898704 IATYWCHIPCGJOG-AWEZNQCLSA-N 303.406 1.854 0 40 DDAB COCc1ccccc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 78788375 KESUBKYQXMVCNA-DLBZAZTESA-N 318.417 1.504 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCNC(=O)C1 95415663 NCPDQRWFAPKRIV-HIFRSBDPSA-N 315.417 1.770 0 40 DDAB COc1cccc(N2CCN([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)c1 95432491 PPIMEGUBIXLDBJ-XJKCOSOUSA-N 304.390 1.910 0 40 DDAB C[C@@H](NC(=O)NCCCCc1cnn(C)c1)C1CCOCC1 95416780 OBNUUHMCCSKWDI-CYBMUJFWSA-N 308.426 1.857 0 40 DDAB O=C(CCn1cccn1)N1CCC(c2nnc3n2CCC3)CC1 95954303 FXXLRPPIRILNBZ-UHFFFAOYSA-N 314.393 1.217 0 40 DDAB Cn1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1=O 95951759 XMSWVYFDCMJFKH-UHFFFAOYSA-N 317.433 1.610 0 40 DDAB C[C@]1(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)CCCS1 95939489 VTYRAQBFKRPTBA-CMPLNLGQSA-N 306.453 1.149 0 40 DDAB Cc1c(CNC(=O)Nc2cnn(-c3nccs3)c2)cnn1C 89274963 HSYBAFQCOUQQGT-UHFFFAOYSA-N 317.378 1.692 0 40 DDAB CS(=O)(=O)CCC(=O)NCc1ccc(-c2cccnc2)cc1 89484244 OMSNFDHVIWTFJV-UHFFFAOYSA-N 318.398 1.800 0 40 DDAB CC(C)n1ccc(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 79754342 DBWKUCHFXFQJQN-AWEZNQCLSA-N 319.409 1.023 0 40 DDAB C[C@@H]1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)C1 89929887 OBOWCRSYUPAGFX-HIFRSBDPSA-N 302.374 1.282 0 40 DDAB CCn1c(CN2C[C@H](O)C[C@H]2C(=O)OC)nc2c(F)cccc21 111232306 NCEGSKUWZKUMEE-MFKMUULPSA-N 321.352 1.304 0 40 DDAB CCc1csc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 408505945 ZEHTXJQMPCQCPB-OPRDCNLKSA-N 314.432 1.947 0 40 DDAB C[C@@H]1CCc2nn(CCNC(=O)c3ccco3)c(=O)cc2C1 72342272 LGGOHUWZTZDHCF-LLVKDONJSA-N 301.346 1.391 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1cnn(Cc2ccccc2)c1 71281701 SWPUFRCDLKPAQC-UHFFFAOYSA-N 323.312 1.672 0 40 DDAB COc1ccccc1[C@@H]1CN(c2ncccn2)CCN1C(C)=O 72368949 HAJSHLQIICXMKB-HNNXBMFYSA-N 312.373 1.895 0 40 DDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217696118 SQCBYXPUKIVKFT-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217439739 XYCUCPBPEFJSDW-UHFFFAOYSA-N 312.391 1.893 0 40 DDAB CCN(CCN)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79391781 HOUUTKDFFHGREV-INIZCTEOSA-N 305.422 1.926 0 40 DDAB Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)c1c(C)noc1C 72242683 KKOWWENQLXWZQY-CYBMUJFWSA-N 322.390 1.746 0 40 DDAB O=C(NCc1ccccn1)c1cn(Cc2ccc(F)cc2)nn1 67264140 UROHIUZJXPAIHY-UHFFFAOYSA-N 311.320 1.791 0 40 DDAB CCCN(CCC)S(=O)(=O)c1cncc(Cl)c1NN 72210740 GQGOGVJHEUIMAB-UHFFFAOYSA-N 306.819 1.831 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc(Cl)cc2)CCO1 72379574 FENKOLQOLFVLNZ-OAHLLOKOSA-N 310.781 1.246 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1c1cc(N2CCCCC2)ncn1 134894234 HEQAVLUPLIRYFS-AWEZNQCLSA-N 315.421 1.714 0 40 DDAB O=C(c1ccn(-c2ccccc2)n1)N1CCOC[C@@]12CCOC2 194423210 LVPJOCVOTKFOLE-KRWDZBQOSA-N 313.357 1.504 0 40 DDAB Cc1cc(C)cc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 43979557 SWYQKGYGNFQBIT-UHFFFAOYSA-N 324.446 1.705 0 40 DDAB Cc1cc(C)c(C)c(OCCCNC(=O)C[C@@H]2CNCCO2)c1 195543081 PKARSCMWDHQOHG-MRXNPFEDSA-N 320.433 1.875 0 40 DDAB COc1ccccc1OCC(=O)N(CC(=O)O)C1CCOCC1 532005030 HXXKMQZYDXIODE-UHFFFAOYSA-N 323.345 1.166 0 40 DDAB O=C1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)N1 89753386 AAQROYMMTPBVLS-VIFPVBQESA-N 300.236 1.240 0 40 DDAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(CC(C)(C)C)C2)C1 514290397 XXLYTVYLZKJAAN-LSDHHAIUSA-N 323.481 1.020 0 40 DDAB biogenic,in-vitro CN(C)c1noc(CN2CC[C@H](Oc3cccc(F)c3)C2)n1 192793263 RRAFZXPQIWSIIL-ZDUSSCGKSA-N 306.341 1.928 0 40 DDAB Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1F 195544567 VKDNCIOAUFETLU-CABZTGNLSA-N 304.362 1.679 0 40 DDAB CC(C)Cn1cnc(S(=O)(=O)Nc2nnc(C(C)C)o2)c1 195571759 KZVRNUYVWGWYJU-UHFFFAOYSA-N 313.383 1.846 0 40 DDAB CCS(=O)(=O)N1CCc2c(c(COC)nn2CC2CC2)C1 96084925 HCRGWUPJMMZZCU-UHFFFAOYSA-N 313.423 1.147 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cnn(-c2ccccc2F)c1C 97102895 VKSLKORKYGPIJP-SECBINFHSA-N 319.340 1.576 0 40 DDAB CN(C)CCN1CC2(CCN(Cc3ccoc3)CC2)OCC1=O 96201351 UJFQJRUBPDDBCH-UHFFFAOYSA-N 321.421 1.035 0 40 DDAB CCc1noc(CNc2ccc(CS(C)(=O)=O)c(F)c2)n1 96467756 SMFZCZXIJOYYDV-UHFFFAOYSA-N 313.354 1.928 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc(C)o3)C[C@H]2O1 96058182 STRCSDJYIUZGNZ-NUEKZKHPSA-N 322.405 1.330 0 40 DDAB COCCN1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccc(C)n1 96065823 VYRWTXZUEVBKNI-GVDBMIGSSA-N 306.406 1.785 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)cc1 96068995 CPDPOVAGTPIAJE-TZMCWYRMSA-N 306.362 1.315 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1ccoc1C)OCC2 96059707 HZCPLNAQCGSBDA-AWEZNQCLSA-N 319.361 1.475 0 40 DDAB CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncccn1)CC2 96219780 QQTHNSCGKPYPAL-AWEZNQCLSA-N 318.421 1.624 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@@H]12)N1CCCO1 96038647 WBBJDNGCCZGSJB-RBSFLKMASA-N 322.430 1.606 0 40 DDAB C[C@@H](O)C[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1Cl 96487126 QATQOZPSOJOGOP-VXGBXAGGSA-N 324.808 1.832 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)N4CCCC4)C[C@H]3O2)n1 96217495 CWUZALQXVMFNOR-YNEHKIRRSA-N 306.366 1.226 0 40 DDAB CCN[C@H]1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1 257309269 UAHHZLISIFUBCU-ZDUSSCGKSA-N 304.394 1.240 0 40 DDAB CNCC(=O)N1CCC2(CC1)CO[C@@H](Cc1ccc(F)cc1)C2 257341000 ZIKPBKNLOYFHBW-INIZCTEOSA-N 320.408 1.985 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cc(C(F)(F)F)ncn2)C1 257262533 LLUGRXZABBJKID-MRVPVSSYSA-N 309.313 1.634 0 40 DDAB Cc1c(F)cccc1NC(=O)CN1CC[C@@]2(CCCO2)[C@@H](O)C1 257311893 ULLIQSZKBSAYHR-RDJZCZTQSA-N 322.380 1.688 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@@H](Cc2[nH]ncc2C)C1 257245033 INVXOTHSNKYGFV-AWEZNQCLSA-N 315.421 1.958 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257277275 NXEGWXJDOHIJQJ-ZDUSSCGKSA-N 320.418 1.686 0 40 DDAB CC(=O)N1CCC[C@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 257206907 BFKLFRPUJZWLBD-LBPRGKRZSA-N 318.377 1.938 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cnc(-c3ncco3)cn2)C1 257261632 LIEYPHKTHGPRQN-JTQLQIEISA-N 308.363 1.271 0 40 DDAB CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 252514969 FOCCYJDNKLSTBP-RRFJBIMHSA-N 315.410 1.708 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccnn2C)[C@@H](c2ccccc2)C1 257277599 NYRAXKVGMJVNKV-MRXNPFEDSA-N 312.373 1.466 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1 585141801 GDEZICNMOBFQIQ-NXEZZACHSA-N 312.382 1.256 0 40 DDAB CC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@@H]1C[C@H]1C 55739126 XVDLZJZUUPOIKW-UKRRQHHQSA-N 303.406 1.981 0 40 DDAB CNC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 58341367 PLALFGSEQQZKHL-QMMMGPOBSA-N 322.390 1.716 0 40 DDAB CNC(=O)C1(NS(=O)(=O)c2cc(C)ccc2F)CCCC1 58357155 USMJRFGPRBICCX-UHFFFAOYSA-N 314.382 1.471 0 40 DDAB Cc1c(C(=O)NC[C@@H]2CCOC2)nnn1-c1ccccc1Cl 69701564 HYLKWSZNVUNDOS-NSHDSACASA-N 320.780 1.995 0 40 DDAB C[C@@H]1CCN(CCS(C)(=O)=O)CCN1Cc1ccccc1 96435851 NBHMMLHMFWCGFS-OAHLLOKOSA-N 310.463 1.627 0 40 DDAB Cc1nn(CC(=O)NC2CC2)c(=O)c2cc3sccc3n12 5108741 ZBPLPVVBYAEMFP-UHFFFAOYSA-N 302.359 1.298 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)c1cc2c([nH]c1=O)CCCCC2 12196210 OWKJJJNEUHXAMF-UHFFFAOYSA-N 314.389 1.914 0 40 DDAB Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(C)n1 13596515 BGKGYMIBLZDNNJ-UHFFFAOYSA-N 321.402 1.921 0 40 DDAB Cc1noc(N)c1C(=O)OCC(=O)N(C)Cc1ccc(F)cc1 14854377 QOHVNIGEQVNZJF-UHFFFAOYSA-N 321.308 1.520 0 40 DDAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)NC2CC2)C1)NC1CC1 18153580 NKUVOOXKLZGQEI-TXEJJXNPSA-N 308.426 1.716 0 40 DDAB Cc1cnc2c(C(=O)N[C@@H](C)Cn3nc(C)cc3C)cnn2c1 19573744 LHZMSYHWEZJQQX-LBPRGKRZSA-N 312.377 1.670 0 40 DDAB COc1ncccc1-c1cc(=O)[nH]c(NCCc2cnccn2)n1 19594710 HSPGHGUTAYPAQA-UHFFFAOYSA-N 324.344 1.285 0 40 DDAB CCOC(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1 68022 BNJMYIIVLSUHJC-UHFFFAOYSA-N 306.362 1.538 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)n(C)n1 618255889 ACGZQBORINTOAT-ZDUSSCGKSA-N 304.419 1.794 0 40 DDAB CSc1nc(N2CCCC2)c2cnn(CCNC(C)=O)c2n1 8946319 RRWPPLAOCOXBDB-UHFFFAOYSA-N 320.422 1.285 0 40 DDAB Cc1cccc(O[C@@H]2CCN(C(=O)N3CCN(C)CC3)C2)n1 238920240 SYNOKQDBWOJAOV-CQSZACIVSA-N 304.394 1.211 0 40 DDAB COC(=O)CCCC(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 390831980 WKTZWCFRVCCKFA-LBPRGKRZSA-N 306.366 1.272 0 40 DDAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2nnc(C)n2C)c1 1889077129 KBIBRFBGGUQCBB-YIONKMFJSA-N 300.410 1.997 0 40 DDAB Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C)C2)CC1 1775995521 BMAUWGOALFMXAK-INIZCTEOSA-N 317.433 1.959 0 40 DDAB COCCNC(=O)CN(C)C[C@H](O)c1ccccc1Cl 36396116 NAIMYCPAJHYGHA-ZDUSSCGKSA-N 300.786 1.068 0 40 DDAB CC(C)N(C)CC(=O)N1CCc2ncnc(NC3CC3)c2CC1 1565549140 MGIYNHFAJTWKDM-UHFFFAOYSA-N 317.437 1.318 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ccncc1OC)[C@H]2C 1565555404 GZQWQWVFTSUJSZ-NSHDSACASA-N 316.361 1.650 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2cccc(C)c2OC)n1 557541 WTIOXAXUFRVWES-UHFFFAOYSA-N 320.378 1.137 0 40 DDAB Cc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)c1 4941429 ITRAEDVEAQHRIZ-CQSZACIVSA-N 318.373 1.735 0 40 DDAB Cc1oncc1CNC(=O)CNC(=O)OCc1ccccc1 575607675 BKANQIZNEZZRQA-UHFFFAOYSA-N 303.318 1.526 0 40 DDAB O=C(CSc1ncnc2ccccc12)N[C@@H]1CCSC1=O 12360248 UFBZECGZDMUQJK-LLVKDONJSA-N 319.411 1.870 0 40 DDAB CCc1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc1 40386677 FXMZUBRJFCJKQF-GFCCVEGCSA-N 313.361 1.746 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cnn(Cc2ccccc2)c1 40480508 RBMCPIAYQUFBNF-UHFFFAOYSA-N 322.372 1.399 0 40 DDAB COc1ccc(F)cc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40488072 BOXGBOJEJCYVSF-JTQLQIEISA-N 301.339 1.093 0 40 DDAB CNC(=O)c1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 20963410 OPECALAMFIPQJC-VXGBXAGGSA-N 305.378 1.094 0 40 DDAB O=C(COc1cccc(N[C@@H]2CCSC2)c1)N1CCOCC1 32581978 HRGVFKYBXDXDHQ-CQSZACIVSA-N 322.430 1.842 0 40 DDAB CC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 211317 LMCBGFHNNVNYFR-UHFFFAOYSA-N 315.354 1.804 0 40 DDAB COc1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 2627809 ZPZNWPTXUNHGLS-UHFFFAOYSA-N 301.302 1.589 0 40 DDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(Cl)cc1 32689153 KXVCNKFTXYOQFS-UHFFFAOYSA-N 321.720 1.232 0 40 DDAB O[C@H](CC(O)(C(F)(F)F)C(F)(F)F)[C@@H](O)c1ccco1 1637007 BNRJVCNLYBKRKO-IYSWYEEDSA-N 308.174 1.920 0 40 DDAB COCCn1nnnc1CN1CCC(Cc2ccccc2)CC1 4230361 YUFJVPXLDSAWIC-UHFFFAOYSA-N 315.421 1.774 0 40 DDAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCC(C)C 7458434 GJRLTMKESJALBN-UHFFFAOYSA-N 319.336 1.766 0 40 DDAB COc1ccc(NC(=O)CN(C)CC(=O)N[C@@H](C)C(C)C)cc1 7460912 GPXNCRVLCBIARY-ZDUSSCGKSA-N 321.421 1.726 0 40 DDAB CCOc1ccc(CNC(=O)[C@H]2CCCN2C(C)=O)cc1OC 41425974 XVPFGPUEESNGPQ-CQSZACIVSA-N 320.389 1.721 0 40 DDAB CNC(=O)C1CCN(C(=O)Cc2csc(C(C)C)n2)CC1 33228549 PRDUAFGJNDZSLJ-UHFFFAOYSA-N 309.435 1.794 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)CC(=O)[C@H]2CCOC2=O)c1 102981044 DNUROYBYTJZZAQ-LLVKDONJSA-N 303.314 1.333 0 40 DDAB COc1ccc([C@H](O)CNC(=O)c2cc(C)on2)cc1OC 170272723 KUJHXZZEYSIZHH-GFCCVEGCSA-N 306.318 1.464 0 40 DDAB C[C@@H](C(N)=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 47262304 UMDAGGKWGWNUIE-UWVGGRQHSA-N 310.785 1.259 0 40 DDAB Cc1cc(C)cc(OCCN(C)C(=O)c2nccnc2N)c1 22610483 JCKMDESRQBCPKS-UHFFFAOYSA-N 300.362 1.827 0 40 DDAB COCCNC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507914 YLUXROZKGCGSQU-UHFFFAOYSA-N 317.370 1.374 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(c2ccncc2)CC1 54918309 OLXVVGAGWHWURX-UHFFFAOYSA-N 319.796 1.739 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(c2ncccn2)C1 24482171 USMUMIWBLSZTPB-AWEZNQCLSA-N 314.393 1.085 0 40 DDAB CC(C)(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)NS(C)(=O)=O 97034690 VUMOUPRIIWWLRO-UPJWGTAASA-N 316.467 1.252 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 106561552 CPGGLGDGANCZIS-LALPHHSUSA-N 301.346 1.616 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2cccnc2-n2cccn2)CC1 25010282 KRIJQIMFBTUZIV-UHFFFAOYSA-N 313.361 1.464 0 40 DDAB Cc1cccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1 55601922 AUMUCQPXBDMWPF-UHFFFAOYSA-N 315.358 1.772 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccc(OC)cc12 1453824 CAGYJVPKKHLDGS-HUBLWGQQSA-N 322.386 1.502 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccccc1 12538157 ZBAXTOHYCMBZQU-GJZGRUSLSA-N 312.369 1.297 0 40 DDAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 3240385 RHDIPJSTOJGGQY-LLVKDONJSA-N 303.767 1.666 0 40 DDAB Cc1nnc2ccc(N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)nn12 107585674 NBEOJXOJIDOHHN-KKUMJFAQSA-N 312.421 1.743 0 40 DDAB COCCCNC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2 27020827 PARBRTHLSHFVOJ-LLVKDONJSA-N 305.378 1.524 0 40 DDAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48234984 KJSPIIZKROOLSE-WCBMZHEXSA-N 318.345 1.512 0 40 DDAB COc1ccc(CCC(=O)N2CCCNCC2)c(OC)c1OC 107589150 BKQIKQJNKADPOH-UHFFFAOYSA-N 322.405 1.467 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1occc1-c1ccccc1 44873846 PIMYJRQXOZCQBS-GFCCVEGCSA-N 305.355 1.864 0 40 DDAB O=C(NCc1cccs1)N1CCN(C[C@H]2CCCO2)CC1 44889669 HLSWRQFNUFLPEX-CYBMUJFWSA-N 309.435 1.754 0 40 DDAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(O)nn1 27602375 QQWUJSBEDOVNAW-HNNXBMFYSA-N 312.373 1.749 0 40 DDAB Cc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cs1 78899269 IIGSYGDBNUUFKC-IINYFYTJSA-N 308.407 1.262 0 40 DDAB CS(=O)(=O)CCNC(=O)NCc1ncc(-c2ccccc2)o1 58236850 CBARJMIJDJPYHI-UHFFFAOYSA-N 323.374 1.185 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2cnccn2)CC1 44975213 IKTGMHKSMCGXAG-LLVKDONJSA-N 300.366 1.620 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2C)cc1 27934073 YDYFYUFDGMLQQQ-UHFFFAOYSA-N 308.363 1.488 0 40 DDAB CC(=O)c1ccc(NC(=S)N2CCC[C@H](C(N)=O)C2)cc1 3326347 LWXILPUEBHTKMP-LBPRGKRZSA-N 305.403 1.783 0 40 DDAB CN(C)C(=O)CSc1nnc2c3ccccc3n(C)c2n1 2215232 MKNSWMWEQMAZFH-UHFFFAOYSA-N 301.375 1.697 0 40 DDAB Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 12741928 MUCJLSBIRLFWJZ-NSHDSACASA-N 314.382 1.744 0 40 DDAB CCNC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 58918625 IKXAMPKWCFZVIL-ZDUSSCGKSA-N 305.426 1.320 0 40 DDAB COc1ccc(OC)c(C(=O)COC(=O)Cn2cccn2)c1 11118755 XTYASCHDWGOCJG-UHFFFAOYSA-N 304.302 1.326 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1cnn(C)c1 12850669 SCWLNQLJIJRMGB-NWDGAFQWSA-N 313.357 1.943 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 62865668 XOZSKRNCVCGXAW-WCQYABFASA-N 320.389 1.687 0 40 DDAB O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC2(CC1)OCCO2 13321007 MYYRWUZHEGZZRY-NWINJMCUSA-N 323.389 1.489 0 40 DDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 18245083 MLOPSCRAGAMJSD-UHFFFAOYSA-N 308.293 1.963 0 40 DDAB CC(=O)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1 4052225 LQJJXMRTWWYJMV-UHFFFAOYSA-N 316.401 1.964 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 61721800 HPMSOGMTZQIJAR-RYUDHWBXSA-N 315.333 1.266 0 40 DDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCCO1 5295295 NFFSAGSSWOZDBU-WDEREUQCSA-N 310.781 1.754 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCCNc2ccccn2)C1 65457584 SYEHSRIUFPKYNX-CQSZACIVSA-N 319.409 1.194 0 40 DDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2ccco2)CC1 65414020 OPAZZJVEPUTJCY-UHFFFAOYSA-N 315.439 1.374 0 40 DDAB COc1ncnc2c1CN(C[C@H](O)c1cccc(F)c1)CC2 65584931 RHYDHNLCFYJUAV-HNNXBMFYSA-N 303.337 1.716 0 40 DDAB Cc1n[nH]c2ncc(C(=O)NCCNC(=O)OC(C)(C)C)cc12 65576449 HSPXSYOKOHCYPE-UHFFFAOYSA-N 319.365 1.521 0 40 DDAB O=C(Nc1nc2ccc(F)cn2n1)c1cc(-n2cccn2)ccn1 79064646 MONGJEPJDRBBPW-UHFFFAOYSA-N 323.291 1.701 0 40 DDAB COc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cn1 14900220 DYTCBUDOBYNBND-UHFFFAOYSA-N 310.313 1.028 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cnn3ccc(C)nc23)c1 70010782 XIDRDGIYVILWRK-AWEZNQCLSA-N 324.388 1.847 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1CCCCCC1 8394887 WZLHSFQGOBZHRB-UHFFFAOYSA-N 306.362 1.576 0 40 DDAB Cc1cccn2c(=O)cc(CN3CCC[C@@H]3Cn3cncn3)nc12 69484675 WSPOOWGXJDXYTA-OAHLLOKOSA-N 324.388 1.259 0 40 DDAB COCC[C@@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 69538266 XUSHMFUCFQYIST-NXEZZACHSA-N 307.350 1.953 0 40 DDAB CN1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 69696777 IECWTBGXRIDRJF-UHFFFAOYSA-N 321.402 1.419 0 40 DDAB CCN1CCCN(C(=O)COCCOc2ccccc2)CC1 69619981 HDLRKGWBUDAPJP-UHFFFAOYSA-N 306.406 1.636 0 40 DDAB NC(=O)CN(CC(N)=O)Cc1cccc(Oc2ccccc2)c1 71823354 GROBNQDNHOZKMC-UHFFFAOYSA-N 313.357 1.252 0 40 DDAB C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CCO1 71886858 AGJUCMKYRTZRLM-LBPRGKRZSA-N 301.346 1.417 0 40 DDAB Cc1nc(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)c(=O)[nH]c1C 97021924 LLISVDONAASCIL-UHFFFAOYSA-N 303.366 1.951 0 40 DDAB COC(=O)[C@@H]1CCCN1CC(=O)N(CC(F)(F)F)C(C)C 71907784 ANGJTBRFPWLUFZ-JTQLQIEISA-N 310.316 1.423 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN1Cc1ccccn1 72294377 JARGEFMZMSGBMH-MRXNPFEDSA-N 313.405 1.438 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2nccn2C1 97197732 RMFJLDBQIQYQON-OAHLLOKOSA-N 321.384 1.743 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccncc2)CCN1c1nccs1 95351863 OKCZVKBBWKKKSO-GFCCVEGCSA-N 317.418 1.687 0 40 DDAB COc1ncnc(N)c1CNCc1cn(C)nc1C(F)(F)F 95431713 CDUHUTXMRAYQRJ-UHFFFAOYSA-N 316.287 1.110 0 40 DDAB Cc1ccc2[nH]nc(C(=O)N3CC[S@@](=O)C(C)(C)C3)c2c1 88292541 MWDKLUMZWICWAH-NRFANRHFSA-N 305.403 1.854 0 40 DDAB O=C(CC1(O)CCCC1)NCCn1c(C2CC2)n[nH]c1=S 73848192 GLRLNWGMODMBBD-UHFFFAOYSA-N 310.423 1.629 0 40 DDAB COC(=O)C1(NC(=O)c2cccc(C(F)(F)F)c2O)CC1 95945852 OFIBAYWUJMHWLI-UHFFFAOYSA-N 303.236 1.846 0 40 DDAB CCCNC(=O)[C@H](C)N1CCc2c(sc3ncnc(N)c23)C1 95977259 PAXKISKXMYXFJU-VIFPVBQESA-N 319.434 1.546 0 40 DDAB C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)C[C@H](C(=O)O)O1 95991957 QPRVVFPQPKNFQW-ZWNOBZJWSA-N 311.765 1.973 0 40 DDAB O=C1C[C@@H](C(=O)N2CCn3cccc3[C@H]2c2ccccc2)CCN1 89828150 XAYVQWFFNPQUCT-MAUKXSAKSA-N 323.396 1.946 0 40 DDAB CCOC(=O)C(C)(C)C(=O)NCc1cccc(OCCOC)c1 89978081 MGKDBNPAYNDVHQ-UHFFFAOYSA-N 323.389 1.917 0 40 DDAB CCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 4155523 WHYCYJUAIQNWPT-YYHQMBLXSA-N 302.367 1.810 0 40 DDAB biogenic CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3cncnc3)cn2)C1 72365413 LTFONVBEAVMKSI-LLVKDONJSA-N 319.390 1.073 0 40 DDAB O=C(Cn1cnnn1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 78190589 JTMIFNXLPDPJLQ-SNVBAGLBSA-N 319.674 1.746 0 40 DDAB CCOCCCNC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1 35291216 JMMAMMUWBBRIJQ-HNNXBMFYSA-N 320.437 1.853 0 40 DDAB COc1ccnc(N2CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)c1 188878659 XUHOXVGMENTXMP-STQMWFEESA-N 322.409 1.345 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccc2c(c1)OCO2 40489537 ZFUHUVCCJBOCEJ-UHFFFAOYSA-N 324.296 1.159 0 40 DDAB C[C@]1(C(=O)Nc2nncs2)Oc2ccc(Cl)cc2NC1=O 41548894 KKTWNXYLTBJIIX-LBPRGKRZSA-N 324.749 1.920 0 40 DDAB NS(=O)(=O)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 47523725 BTBNRZPXKPOUOH-UHFFFAOYSA-N 321.402 1.065 0 40 DDAB CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(OC)cc1C 225471600 BQATYUDTVJOFAU-JTQLQIEISA-N 301.364 1.234 0 40 DDAB CC(C)NC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1 96228037 QMQLVBDNBOQCTB-UHFFFAOYSA-N 310.442 1.123 0 40 DDAB Cc1cc(CC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)no1 96476264 LNNDSEJVFKAWON-AWEZNQCLSA-N 322.386 1.428 0 40 DDAB O=C(N[C@@H](CO)Cc1ccccc1)c1cccc(-n2ccnn2)c1 95452603 XJYWAZUZOHKJHZ-MRXNPFEDSA-N 322.368 1.601 0 40 DDAB Cc1nc(-c2cnn(C)c2)sc1C(=O)OCCn1cncn1 96406947 QAHJECSKGCHESZ-UHFFFAOYSA-N 318.362 1.301 0 40 DDAB C[C@@](Br)(C(=O)c1cccc(N)c1)S(C)(=O)=O 96518596 NFXLXZUCJJFQQR-JTQLQIEISA-N 306.181 1.607 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072529 WQAPYUKBLVISNC-DZGCQCFKSA-N 324.402 1.186 0 40 DDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N[C@H](C)c1cnn(C)c1 96486803 PZRSCOLEMVLVFQ-IUODEOHRSA-N 308.426 1.391 0 40 DDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)NC4CCC4)O[C@@H]3C2)s1 96042992 QMVLTMLPUUZVCG-WCFLWFBJSA-N 322.434 1.499 0 40 DDAB Cc1cc(CNC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(C)o1 96413104 BJEBFCUTCMXUSI-CMPLNLGQSA-N 314.407 1.613 0 40 DDAB O=C(NCc1ccccc1)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 96253448 GCKJZLASPADASH-IXDOHACOSA-N 300.402 1.802 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2c[nH]cn2)N1c1ccsc1 96081369 GHXIRBHCSCZDLQ-NWDGAFQWSA-N 302.359 1.491 0 40 DDAB O=C(N1CCCC1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058692 LZGYNAWLCDGDEC-ZDUSSCGKSA-N 316.405 1.597 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(Cc1scnc1C)CC2 96207482 APKNLLYDTXYQIM-LBPRGKRZSA-N 309.435 1.426 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3ccnc3C)C2)n1 257327796 XCTYEKBQCVRKNY-AWEZNQCLSA-N 301.394 1.640 0 40 DDAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 604382224 LMIVUUDFNIHRHV-KLHDSHLOSA-N 305.422 1.252 0 40 DDAB biogenic,in-vitro COc1ncccc1C(=O)N1CCC2(CC1)OCCC[C@@H]2OC 257290004 QBBOWPQQWAQTJY-AWEZNQCLSA-N 320.389 1.890 0 40 DDAB CC(=O)N1CCN(CC(N)=O)[C@H](c2ccc(OC(C)C)cc2)C1 257329615 XKTCHUBLSIVOGZ-INIZCTEOSA-N 319.405 1.164 0 40 DDAB Cn1nccc1-c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 257340534 ZGPNTRYPKSHWOF-UHFFFAOYSA-N 320.418 1.621 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)CC(C)C)C3)n1 575406137 WNCCZYBIUUGLAT-CQSZACIVSA-N 319.405 1.970 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cnn(C(C)C)c1 585275890 AQVTUKLDLUBYHY-MRXNPFEDSA-N 322.409 1.221 0 40 DDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)Cc2ccccc2F)C1 585277242 LFRMMRWBIYDJPY-KRWDZBQOSA-N 322.380 1.641 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ncccc2C)C1 585278076 QGFYWVGJWCRSMT-QGZVFWFLSA-N 319.405 1.537 0 40 DDAB O=C(CN1CCCCCCC1=O)NCc1nc(CO)cs1 683903547 YVRDQYHDPUPDBK-UHFFFAOYSA-N 311.407 1.044 0 40 DDAB O=C1C[C@H](c2ccccc2)N(C(=O)Nc2nncs2)CCN1 53732889 MUHBWBIVSYNDJQ-LLVKDONJSA-N 317.374 1.633 0 40 DDAB CN(C)C(=O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 55017452 NCNOYKWHXJGSPG-UHFFFAOYSA-N 314.389 1.014 0 40 DDAB O=C1CC(NCn2nnc3ccccc32)=NN1c1ccccc1 5947311 IQRWFKORQODIFH-UHFFFAOYSA-N 306.329 1.729 0 40 DDAB CCn1nc(C)cc1C(=O)Nc1ccccc1S(C)(=O)=O 11696048 KJMRRJITDAPTOC-UHFFFAOYSA-N 307.375 1.867 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2ncoc2-c2cccc(F)c2)C1 12144653 DKAARLNFEZOCRJ-LLVKDONJSA-N 317.320 1.818 0 40 DDAB CCCc1cc(CNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)on1 12192305 FWALNUXLBSFJLR-AWEZNQCLSA-N 317.349 1.170 0 40 DDAB C[C@H]1CN(Cc2nc(-c3cccnc3Cl)no2)CC[C@@H]1O 13996424 OKMUEJNICCBMHH-ONGXEEELSA-N 308.769 1.988 0 40 DDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]2CC[C@@H]1C2 17031949 LUUTZQREDZURBN-RNJOBUHISA-N 309.362 1.099 0 40 DDAB CCN(CC)C(=O)CSc1nnnn1-c1ccc(O)cc1 6852503 JSZHKVOPCXHKJQ-UHFFFAOYSA-N 307.379 1.328 0 40 DDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)nc(C)n1 1888834988 CSKXCPGTRWNCSN-CQSZACIVSA-N 304.394 1.311 0 40 DDAB C[C@H](c1ccccc1)N1CCO[C@@H](C(=O)N2CCOCC2)C1 1889119652 UXXPCKUGDCAOJO-GDBMZVCRSA-N 304.390 1.307 0 40 DDAB O=C(O)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1889128367 ZTMXWOMYKMJJQW-LBPRGKRZSA-N 300.318 1.025 0 40 DDAB Cn1nc(-c2cccnc2)cc1CNC(=O)c1ccc(=O)oc1 245170788 XGMUDBXFEYWTRS-UHFFFAOYSA-N 310.313 1.365 0 40 DDAB Cn1cncc1CN1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 2037849827 RNTDTNGLAMJDHL-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@@H]2C[C@]21C(=O)N1CCCC1 2056224957 IXDGOBXJKUSYNO-RHSMWYFYSA-N 306.406 1.417 0 40 DDAB CNC(=O)C1=NO[C@@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056225125 DCMCFIHHWQAICG-INIZCTEOSA-N 323.343 1.822 0 40 DDAB COc1cnc(O[C@H]2CCN(c3ccnc(SC)n3)C2)nc1 2087130857 QLSXCXUQQIQQEB-JTQLQIEISA-N 319.390 1.655 0 40 DDAB CCN1CCn2nnc(CNC(=O)[C@]3(C)CC=CCC3)c2C1=O 1565556625 OAXKIOHBJJWGCG-MRXNPFEDSA-N 317.393 1.116 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccc1 2650955 FTLWUWIALIQVHE-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB COc1cccc(NC(=O)NCc2nnnn2-c2ccccc2)c1 9615532 USRADAUSDDLLBF-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB C[C@H]1NC(=O)COC12CCN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 2055713724 CRUILSFUNJBJRL-MGPQQGTHSA-N 308.422 1.709 0 40 DDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2)N1CCC1 2055713652 RELUQQVJFAAEGI-CYBMUJFWSA-N 316.405 1.304 0 40 DDAB CN([C@H]1CCCN(Cc2cncs2)C1)S(=O)(=O)C1CC1 2086860345 NDYDASFICQRELM-NSHDSACASA-N 315.464 1.532 0 40 DDAB CCOC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575614423 SIKOIOVNVFGRHY-UHFFFAOYSA-N 304.272 1.774 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCCOCCn1cccn1 575620969 WVQPIWVZNVNJJK-CQSZACIVSA-N 303.362 1.483 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1csc(-c2ccccc2)n1 270052477 FVVNRAOFBXLZQE-OAHLLOKOSA-N 304.371 1.691 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)NNc3ccccc3)cc2[nH]1 5041802 PRTGVYYVJTUGAK-UHFFFAOYSA-N 304.331 1.162 0 40 DDAB O=S(=O)(Cc1ccccc1)NCc1nnc2ccccn12 78609288 CLNLDYSMBLCJGC-UHFFFAOYSA-N 302.359 1.349 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1ccccc1F 86391 WBXHDLZCHODMGR-AWEZNQCLSA-N 322.336 1.721 0 40 DDAB O=S(=O)(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc2c(c1)OCCO2 100212391 SMTCJDRVDPFQKA-AVGNSLFASA-N 321.398 1.948 0 40 DDAB CCOc1ncccc1CNC(=O)[C@H]1COc2ccccc2O1 40497933 UCCRPZJQGGZXLG-OAHLLOKOSA-N 314.341 1.937 0 40 DDAB CC(C)OCCCNC(=O)CN1CCN(c2ccccc2)CC1 40466004 ZZMIMSBZVHELSD-UHFFFAOYSA-N 319.449 1.740 0 40 DDAB O=C(/C=C/c1ccc(F)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 31612437 HYFQCWFCJDTVNO-XCRNYIDWSA-N 317.769 1.796 0 40 DDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCC1CCC1 40540904 LBGDWMQSMXXHHR-HNNXBMFYSA-N 317.368 1.821 0 40 DDAB CCc1nnsc1C(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OC 101177186 VZHLGKMODPXYLZ-MPKXCIJOSA-N 309.391 1.418 0 40 DDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1CN(C)C[C@@H]1C 76058387 LGPHCKVWBFYXSQ-GWCFXTLKSA-N 314.455 1.309 0 40 DDAB O=C(NCCc1ccccn1)[C@H](Cc1ccccc1)n1cnnn1 32657468 UUCNGUFJXRATQG-INIZCTEOSA-N 322.372 1.211 0 40 DDAB CCOC(=O)[C@@]12CCC(=O)C[C@@]1(O)CCC1(C2)OCCCO1 1727034 BEIFTWJQMHSNMF-GJZGRUSLSA-N 312.362 1.337 0 40 DDAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 3490874 AUQVMJZUDFIOIK-JTQLQIEISA-N 322.361 1.964 0 40 DDAB c1ncc(O[C@@H]2C[C@H]3CN(Cc4nccs4)CCN3C2)cn1 107746732 VUFOFFZRZXYDCE-QWHCGFSZSA-N 317.418 1.271 0 40 DDAB CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN([C@H]3CCOC3)CC[C@@H]21 107203613 WTAQGHUSQUMQGU-OWSLCNJRSA-N 318.465 1.845 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 8218929 QENFTQHPUMGHAY-CYBMUJFWSA-N 304.390 1.958 0 40 DDAB NC(=O)NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 58458122 OQIOLERBQQCRID-LBPRGKRZSA-N 319.361 1.180 0 40 DDAB CCOC(=O)C1=C(COC(C)=O)NC(=O)N[C@H]1c1ccccc1 22025155 ZQCQVXAFFZNDNM-AWEZNQCLSA-N 318.329 1.421 0 40 DDAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1ccnc1 53746791 OAKYIFBUUVPJJL-ZETCQYMHSA-N 300.240 1.790 0 40 DDAB O=c1c2ccccc2nnn1CN1CCO[C@H]2CCCC[C@@H]21 54545580 AQBBLPOLHWOJLP-GJZGRUSLSA-N 300.362 1.392 0 40 DDAB Cc1cccc(N2CCN(c3ncnc4c3cnn4C)CC2)c1 12543814 DOWWZAZAAVWVMS-UHFFFAOYSA-N 308.389 1.998 0 40 DDAB Cn1cnc2c(N3CCOCC3)nc(C3CCNCC3)cc21 107493394 BIAKHJRGXSPWHS-UHFFFAOYSA-N 301.394 1.272 0 40 DDAB Cc1cc(CN2CCN(C[C@H](O)c3ccc(F)cc3)CC2)on1 25303730 YCSCOFGZJMCXHB-KRWDZBQOSA-N 319.380 1.973 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)NC(C)(C)C)CC2=O)cc1 34916647 AOWBGHFEKBJXNB-ZDUSSCGKSA-N 304.390 1.958 0 40 DDAB COc1ccccc1CCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 48071649 WXOQMVJDMQLXIX-GXTWGEPZSA-N 304.390 1.516 0 40 DDAB Cc1nc2cc(C(=O)OCCNc3ncccn3)ccc2n1C 97112986 OZQPMACSKUTFJW-UHFFFAOYSA-N 311.345 1.941 0 40 DDAB COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(O)c(OC)c1 58194499 MJKBTPMHEGTWOZ-GFCCVEGCSA-N 324.377 1.788 0 40 DDAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc2ccccc12 28296039 JCVAHLDSQMOKRB-UHFFFAOYSA-N 309.325 1.719 0 40 DDAB Cc1nc(CCNC(=O)[C@@H](C)NC(=O)C2CCCC2)cs1 58156949 WRWQIDZOXUCGCP-SNVBAGLBSA-N 309.435 1.805 0 40 DDAB O=C(CCc1nnc(-c2ccccc2)o1)NC1=NCCS1 44870485 YICNLGDTVQRNBN-UHFFFAOYSA-N 302.359 1.888 0 40 DDAB CN1N=C(C(=O)NC[C@@H](c2cccs2)N(C)C)CCC1=O 44893684 RPASLQNRGNSBCJ-NSHDSACASA-N 308.407 1.075 0 40 DDAB O=C1CC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2O)CN1 78521546 KJDUUCSIUBBRPT-OAHLLOKOSA-N 324.380 1.991 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 58289278 GOLWTXVGQPFDAW-IUCAKERBSA-N 300.305 1.373 0 40 DDAB Cn1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)cn1 97107322 VYGFCRLMBPHNFD-ZDUSSCGKSA-N 318.764 1.387 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)cc1 10334599 KWPUBUJIJKTUFG-CQSZACIVSA-N 324.402 1.869 0 40 DDAB C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N(C)c1ccccc1 36398639 PTCZECRMYIMISI-KGLIPLIRSA-N 315.417 1.638 0 40 DDAB CN1C[C@@H](C(=O)N2CCc3cc(Br)ccc32)CC1=O 69361425 IOTQERWTAKCEOE-JTQLQIEISA-N 323.190 1.817 0 40 DDAB O=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2cc1O 3510756 FHRXLLCMUBZLAS-UHFFFAOYSA-N 313.309 1.851 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 8395202 MFEKDMIBJKRBDT-GHMZBOCLSA-N 308.403 1.848 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1 63615611 WPMHKDBPFPXZGP-OAHLLOKOSA-N 311.385 1.744 0 40 DDAB CCC[C@H](C(=O)OCC)N1CCC(CN2CCOCC2)CC1 69973457 MGLVOJZFVNSBJA-MRXNPFEDSA-N 312.454 1.762 0 40 DDAB O=C(c1ccc(NC2CC2)nc1)N1CCC2(CC1)OCCO2 49977212 OJQDOJNFJLUNCU-UHFFFAOYSA-N 303.362 1.635 0 40 DDAB O=c1n(Cc2noc(-c3ccoc3)n2)nnn1-c1cccs1 69568894 CTGSXTFGUZUQPZ-UHFFFAOYSA-N 316.302 1.182 0 40 DDAB Cn1cc(C(=O)N[C@@H]2CCc3nccn3C2)c(C(F)(F)F)n1 65474979 DQTYIMPPGKLXIW-MRVPVSSYSA-N 313.283 1.380 0 40 DDAB CCN1C[C@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1=O 65591520 OEPLFHNVPLREAQ-OLZOCXBDSA-N 309.435 1.335 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1 14185817 HKOOUBHPERAIBL-UHFFFAOYSA-N 310.419 1.604 0 40 DDAB OCCN1CCN(Cc2ccccc2Oc2cccnc2)CC1 69667382 KLCGGVMCYYDREJ-UHFFFAOYSA-N 313.401 1.984 0 40 DDAB NC(=O)c1cn(CC(=O)NCc2ccco2)nc1-c1ccccc1 66081571 NSHUVJBAFKRFIM-UHFFFAOYSA-N 324.340 1.558 0 40 DDAB O=C(COc1cccnc1)N1CCCC[C@@H]1Cn1cccn1 69779508 JCLRMSJIVDPSBP-CQSZACIVSA-N 300.362 1.738 0 40 DDAB CNS(=O)(=O)CCCS(=O)(=O)Cc1cc(C)ccc1C 69740106 FPOGZHDUMRISAM-UHFFFAOYSA-N 319.448 1.158 0 40 DDAB CN(C)C(=O)C1CCN(CCn2c(=O)oc3ccccc32)CC1 69770851 TUOKNUMIOSDGOS-UHFFFAOYSA-N 317.389 1.395 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N1CCCN2CCC[C@@H]2C1 69777239 UPSKKKDILIJOKK-CQSZACIVSA-N 317.389 1.795 0 40 DDAB CN(C)c1cccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)c1 4785953 IULGCQCSXCLLHT-LLVKDONJSA-N 313.448 1.226 0 40 DDAB COC[C@H](C)NC(=S)N1CCN(c2ccccc2O)CC1 6822279 GEOARMGBOCGTFD-LBPRGKRZSA-N 309.435 1.424 0 40 DDAB CC1CCN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 8734114 ZQRKIMZLNXLTQC-UHFFFAOYSA-N 303.341 1.738 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)CCn2cc(C)cn2)no1 72299192 YZLBSEHWTBHMFL-GFCCVEGCSA-N 303.366 1.891 0 40 DDAB CNC(=O)[C@H](NC(=O)Nc1ccccn1)c1ccc(F)c(F)c1 67539664 SNUPHUMNVCFYTA-CYBMUJFWSA-N 320.299 1.969 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)C 7723437 MIXPAZOSAPZUNC-UHFFFAOYSA-N 314.407 1.930 0 40 DDAB CCN(CC)C(=S)S[C@H](C)c1nc(N)nc(N(C)C)n1 9477360 RZDUWNCTRFWORO-MRVPVSSYSA-N 314.484 1.941 0 40 DDAB COCC[C@@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 96421228 IGGVSSRYEVIICP-CYBMUJFWSA-N 323.418 1.884 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 71881809 XDRIVCCXTMHYKA-AWEZNQCLSA-N 308.426 1.167 0 40 DDAB CCc1cnc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)o1 83827858 FBJKGERZXWLXPV-OAHLLOKOSA-N 306.366 1.142 0 40 DDAB CCc1nncn1CCNC(=O)N(C)Cc1ccc(O)cc1 83834408 SGVMJRGCGDDLQF-UHFFFAOYSA-N 303.366 1.388 0 40 DDAB CN1CCC(N2CC[C@@H](N(C)C(=O)NCC(F)(F)F)C2)CC1 71908629 RKIFQKVLWDNNPL-GFCCVEGCSA-N 322.375 1.359 0 40 DDAB CNc1snc(C)c1C(=O)NCc1nnc(C2CC2)n1C 95465066 PCZPWJVBOOCTQT-UHFFFAOYSA-N 306.395 1.429 0 40 DDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCNC3=O)c12 84066717 SDAZCMYUPLCDFG-LLVKDONJSA-N 314.345 1.417 0 40 DDAB Cc1cc(NC(=O)CN2CCC(C)CC2)c(C(N)=O)cc1F 95416976 BKJFASNDKLIAOK-UHFFFAOYSA-N 307.369 1.903 0 40 DDAB O=C(CCNc1ncccn1)Nc1nnc([C@@H]2CCCO2)s1 95472367 ZXAYDKQTQMJIRI-VIFPVBQESA-N 320.378 1.620 0 40 DDAB O=S(=O)(c1c[nH]cn1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 95433419 KXGJLVIXDSYUOJ-GHMZBOCLSA-N 311.363 1.280 0 40 DDAB CN(C(=O)Cc1csc(-c2nc[nH]n2)n1)[C@H]1CCSC1 95975243 JNUHXCNOOYJBMK-VIFPVBQESA-N 309.420 1.435 0 40 DDAB CCOC(=O)Cn1cccc(NC(=O)c2ccsc2)c1=O 95973805 PYEKCVOUKBLQND-UHFFFAOYSA-N 306.343 1.725 0 40 DDAB CC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 9954845 QYWJDJVNFZUGEU-UHFFFAOYSA-N 300.314 1.691 0 40 DDAB O=C(Nc1nccn1Cc1ccccc1Cl)c1n[nH]c(O)n1 75139965 VABOZOWJXWWAFP-UHFFFAOYSA-N 318.724 1.661 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)N(C)Cc2ccco2)no1 75581854 CSVKVNXRLZSKIK-ZDUSSCGKSA-N 304.350 1.767 0 40 DDAB CCCn1nc(Oc2nc(NCC)nc(N(C)C)n2)ccc1=O 27666738 CACQAVQDGSTFSA-UHFFFAOYSA-N 319.369 1.128 0 40 DDAB O=C1NC(=S)N/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 408930662 AIIOKJBHFVAQMM-XYOKQWHBSA-N 313.338 1.521 0 40 DDAB Cc1ccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)o1 516882744 XFMRVMHOQYVONC-SWLSCSKDSA-N 302.378 1.631 0 40 DDAB COC(=O)c1cn(CC(F)F)nc1I 408717455 AVCFMCAIXSWKSM-UHFFFAOYSA-N 316.045 1.539 0 40 DDAB O=S(=O)(c1ccc(Cl)s1)N1CCCn2ncnc21 78556772 BCJINJXQDMKAKY-UHFFFAOYSA-N 304.784 1.592 0 40 DDAB CCOc1cnc(-c2noc([C@@H]3C[C@@H]4C[C@H](N)[C@@H]4C3)n2)cn1 1553320056 NQQDGWGTJGECBG-DBIOUOCHSA-N 301.350 1.766 0 40 DDAB CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN1Cc1nccn1C 72366146 LULRMZWFSPQDCG-GFCCVEGCSA-N 302.382 1.182 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C 73743084 MHQOESQNTIUZOP-ZDUSSCGKSA-N 307.369 1.673 0 40 DDAB O=C(/C=C/c1ccccc1)NC[C@]1(OCCO)CCSC1 1565520147 HFMDDIQJOUSQPB-FYCOFBDGSA-N 307.415 1.701 0 40 DDAB Cc1ccccc1CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1C 32508736 IBLOHHDCRAWTHF-OLZOCXBDSA-N 310.444 1.695 0 40 DDAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccn(C)n1 72324391 MOAPINWHFICESQ-LLVKDONJSA-N 314.345 1.537 0 40 DDAB COc1ncccc1NC(=O)C(=O)NCc1cccc(F)c1 44900637 IFAKCIKNRQQCDI-UHFFFAOYSA-N 303.293 1.484 0 40 DDAB O=c1c2c(ncn1Cc1cccc(C(F)(F)F)c1)CCNCC2 567232452 XWCYPLKNNADVNQ-UHFFFAOYSA-N 323.318 1.999 0 40 DDAB Cc1ccc(C[C@@H](CO)Nc2ncc(C(=O)O)cn2)cc1C 573327419 JVYIZQRNYJFNDX-AWEZNQCLSA-N 301.346 1.807 0 40 DDAB O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc2n(n1)CCCO2 225786124 YFIURVKQGRLSAS-AWEZNQCLSA-N 313.357 1.537 0 40 DDAB Cn1nccc1CCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 195571406 RAHFKLLUOBRFST-OCCSQVGLSA-N 308.426 1.713 0 40 DDAB C[C@H](CCNC(=O)N1CC(C)(C)OC(C)(C)C1)[S@@](C)=O 195574894 NXMXFOVGJWHTIE-BIBXISHDSA-N 304.456 1.743 0 40 DDAB CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 42630886 ANXBRZSSKCPYOZ-UHFFFAOYSA-N 304.799 1.533 0 40 DDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 48088949 AUDJBCSKUUZMCJ-CYBMUJFWSA-N 306.362 1.755 0 40 DDAB Cc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(O)c1 192994281 GMVUTKLMLLJKBK-UHFFFAOYSA-N 303.318 1.969 0 40 DDAB CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)CC)s1 223101407 FVTFUJGRUSCIHT-SSDOTTSWSA-N 306.413 1.354 0 40 DDAB CN(C)c1cnc(C(=O)N2CCCC[C@H]2c2cnn(C)c2)cn1 330333714 QAZMLUIGIKCEEA-AWEZNQCLSA-N 314.393 1.644 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC[C@@]2(CCOC2)C1 195537990 UTJYPAGSMHALPI-JFIYKMOQSA-N 324.465 1.810 0 40 DDAB CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)c1 91980031 OPZPLOQPFFHYHD-YUTCNCBUSA-N 305.378 1.879 0 40 DDAB COCCn1c2c(ccc1=O)C[C@H](NCc1ccccn1)CC2 96189669 UMBYYGPOEMPDHM-OAHLLOKOSA-N 313.401 1.537 0 40 DDAB CC(C)Cn1ncnc1CN[C@@]1(CO)CCc2ccccc21 97233695 XGMVAQPLAIZGAO-QGZVFWFLSA-N 300.406 1.858 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)C(=O)N1C 96261577 MJUBNHMKYGSQDF-RSAASHCRSA-N 317.368 1.481 0 40 DDAB O=C([C@H]1CCCO1)N1CCCn2c(nnc2Cn2cccc2)C1 96259649 CUXVIFZAQFDQOF-CYBMUJFWSA-N 315.377 1.039 0 40 DDAB COc1cccc(C[C@@H](C)NC(=O)N2CCNC(=O)[C@H]2C)c1 334024358 DEHZPMPGNXTMNI-VXGBXAGGSA-N 305.378 1.156 0 40 DDAB Cc1cc(C(=O)N2CCc3ncnc(OC(C)C)c3CC2)no1 96255647 DKSYRRRAOQTJGK-UHFFFAOYSA-N 316.361 1.801 0 40 DDAB c1cnc(O[C@H]2CO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 96222539 CYZBKWQGAJEBHU-CZUORRHYSA-N 313.361 1.474 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1c(F)cccc1F 96413627 YSUWNSNEQMDOOL-BJOHPYRUSA-N 314.332 1.817 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(Cc3ccccn3)C[C@H]1O2 96253079 WFYNBOMGGVTTOY-OWCLPIDISA-N 301.390 1.340 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCn2nccc2C1 245053604 PCNVMVNDIMCMAV-AWEZNQCLSA-N 303.387 1.788 0 40 DDAB Cc1ccc(N2CC[C@@H]3OCCN(CC4CC4)[C@@H]3CC2)nn1 247930010 QKBXDFSSZSDOGK-CVEARBPZSA-N 302.422 1.865 0 40 DDAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2CCO)N1 257266047 MBINQAVYNOKDBM-PMPSAXMXSA-N 306.381 1.992 0 40 DDAB c1cc2nncn2nc1N1CC2(C[C@@H](OCC3CC3)CS2)C1 253596112 NGCFQOFKJBJCGL-GFCCVEGCSA-N 317.418 1.615 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 257215235 CPFPGPIXAFFIPX-LBPRGKRZSA-N 304.375 1.764 0 40 DDAB COc1ccc(-c2ccnc(NC[C@](C)(O)C(=O)O)n2)cc1 263545360 GNQZWXDIPOPTJP-HNNXBMFYSA-N 303.318 1.400 0 40 DDAB CCS(=O)(=O)c1ccc(CNC(=O)OC(C)(C)C)cn1 261506750 APUWVWXIFRTTKL-UHFFFAOYSA-N 300.380 1.900 0 40 DDAB O=C(O)CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2ncncc2C1 647733950 KQNMMZUHRXKEAN-TZMCWYRMSA-N 317.389 1.827 0 40 DDAB O=C(O)[C@H]1C[C@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1 396140506 WNGMZRXPKZWTMN-RYUDHWBXSA-N 307.302 1.431 0 40 DDAB COCCCNC(=O)C(=O)NCc1ccc(OC(C)C)cc1 298116046 RNQVWVVFLSUIIY-UHFFFAOYSA-N 308.378 1.243 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1Cc1ccc(C(=O)O)cc1 585278917 WVSIABYNBCYKAH-KRWDZBQOSA-N 320.389 1.502 0 40 DDAB Cc1cc(S(=O)(=O)N(CC(N)=O)C2CCCC2)c(C)s1 48667661 SLTCSTVLFYWKPL-UHFFFAOYSA-N 316.448 1.784 0 40 DDAB COC(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)s1 69389118 OLESWLMSOYOYKP-UHFFFAOYSA-N 310.375 1.277 0 40 DDAB O=C(Cn1nc(-c2cccnc2)oc1=O)N1CCc2ccccc21 13267343 XPSFQMAQMVNOKZ-UHFFFAOYSA-N 322.324 1.488 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19495821 AIKRZOUVQRHWNY-NGFQHRJXSA-N 323.400 1.942 0 40 DDAB Cc1ccc(C(=O)NC(=S)N2CCC(C(=O)O)CC2)cc1 226349916 PCGBPWSUWLHVQY-UHFFFAOYSA-N 306.387 1.806 0 40 DDAB COC(=O)C[C@@H]1C(C(=O)O)=C[C@@H]2CC(C)(C)C[C@]21C(=O)CO 604377665 MXBHHWNJNMVKQA-RDGWCUKFSA-N 310.346 1.174 0 40 DDAB biogenic,in-vitro O=C(NC1CC1)[C@@H]1CN(c2ncc(Cl)cc2Cl)CCO1 1888847451 GOMJRCHMTMRMLN-NSHDSACASA-N 316.188 1.872 0 40 DDAB NC(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 1888906259 BCWDESJHDQLZHV-UHFFFAOYSA-N 300.293 1.178 0 40 DDAB CNC(=O)Cc1csc(NC(=O)c2cc(C)c(F)cn2)n1 1889130421 FSSJIDJRCCUXDN-UHFFFAOYSA-N 308.338 1.526 0 40 DDAB Cc1cc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)ncn1 1889139085 AFKXOQAGAQQOMR-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB Cc1cc(OC[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)ccn1 1776001282 JJYWMASGTOYPQA-CYBMUJFWSA-N 310.419 1.973 0 40 DDAB CN1CCN(c2ccc(N)c(N3CCC(CO)CC3)c2)CC1 1776011097 BZSUUBNBKIBWIQ-UHFFFAOYSA-N 304.438 1.229 0 40 DDAB O=C1CNC(=O)N1C1CN(c2nc3c(F)cccc3s2)C1 1776008889 RGRTZDSIFRVPSU-UHFFFAOYSA-N 306.322 1.176 0 40 DDAB Cc1cc(Nc2nccs2)nc([C@@H]2CCN(C(=O)CN)C2)n1 2037835021 RIGLNHQWSBBNMS-SNVBAGLBSA-N 318.406 1.260 0 40 DDAB O=C1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1CC1CC1 1565547662 VTWPCQHTPGDVOR-UHFFFAOYSA-N 301.390 1.879 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)CCC2CCCC2)CC1 43979513 ICIVEVQJZGHKJI-UHFFFAOYSA-N 316.467 1.745 0 40 DDAB CC1CCN(C(=O)[C@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 30009886 GIKCBJXJVSXAQY-NSHDSACASA-N 302.378 1.915 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2cnccn2)CC1 31571684 LHZFUDZHIVVLSV-UHFFFAOYSA-N 322.372 1.630 0 40 DDAB O=C(/C=C/c1cccc2cccnc12)N[C@@H]1CCS(=O)(=O)C1 31612871 JLMFWCJUJXZFFD-PSKZRQQASA-N 316.382 1.551 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCCN(C[C@H]2CCCO2)CC1 40512851 ZVKMAGNJOJIGTH-OAHLLOKOSA-N 321.421 1.547 0 40 DDAB Cc1cc(N2CCCN(CC(=O)NC(C)C)CC2)nc(C)n1 40501225 QNNLWCYBTZKOMM-UHFFFAOYSA-N 305.426 1.130 0 40 DDAB Cc1nnc(CN(C)CC(=O)Nc2ccc(Cl)cc2)n1C 51473918 OJCMZYSKXSFBII-UHFFFAOYSA-N 307.785 1.847 0 40 DDAB CCOC(=O)c1cnc(SCC(=O)NC2CCCC2)nc1N 419236 JIYIZNMDMNORFO-UHFFFAOYSA-N 324.406 1.386 0 40 DDAB O=[S@@](CCN1CCN(CC(F)F)CC1)c1ccccc1 69897137 FMZWVJUUDLQYQD-HXUWFJFHSA-N 302.390 1.677 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCCc1nnc2n1CCCCC2 46330661 HAIKZXAWQOABSZ-ZDUSSCGKSA-N 306.410 1.622 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-n1cnnn1 1342078 AVLBJVUHNPXUQS-UHFFFAOYSA-N 321.406 1.391 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(O)c3c2)C1 2653948 GOEBFSMTHRKBBL-NXEZZACHSA-N 310.379 1.335 0 40 DDAB NC(=O)CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 32770451 PMLPKOMEBUJQHI-UHFFFAOYSA-N 315.339 1.698 0 40 DDAB CC(C)CCO[C@H](C)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 75606226 MOMIWFZCRAJYER-OAGGEKHMSA-N 312.454 1.495 0 40 DDAB c1cnnc(NC[C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)c1 76049904 RAPIMTAWBODKES-GFCCVEGCSA-N 316.365 1.050 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccccc2)C1=O 8323838 DFVLUEBKPATWIZ-MEBBXXQBSA-N 305.334 1.206 0 40 DDAB NC(=O)COc1ccc(/C=C/C(=O)N2CCCCCC2)cc1 52929405 LNJPUQZVRGWXNU-JXMROGBWSA-N 302.374 1.967 0 40 DDAB O=C(NC[C@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1)C1CC1 107430588 FPLXBHKUULTYEI-SCAQPMJSSA-N 305.374 1.094 0 40 DDAB biogenic,in-vitro COc1ccccc1N1CCN(Cn2ncn(C)c2=S)CC1 53492103 LXCSEYAGAUDSSO-UHFFFAOYSA-N 319.434 1.739 0 40 DDAB O=C(Cn1cncn1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 41978773 AYVRLAQJCTUAPZ-ZDUSSCGKSA-N 314.345 1.413 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)N1CCCC1 53521746 JNPVPJBVVHDSBE-CYBMUJFWSA-N 309.435 1.927 0 40 DDAB OCC[C@H]1CN(Cc2ccon2)CCN1Cc1ccsc1 23373774 YZCHUYAFCXKZPP-HNNXBMFYSA-N 307.419 1.805 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCc2sccc2C1 42574755 UOXIMMFQUVCKJX-AAEUAGOBSA-N 321.446 1.219 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccsc2)cc1 24610259 UMHWFLKNJFDPQT-UHFFFAOYSA-N 310.400 1.467 0 40 DDAB Cc1ccsc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24690246 PDKQVEMGMLXLHN-LLVKDONJSA-N 316.448 1.600 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C(=O)O)C1 43701429 RUDBRVUIELGVMU-JOYOIKCWSA-N 313.737 1.419 0 40 DDAB C[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CCCO1 48079695 NURDFOMFBPPEGD-GXTWGEPZSA-N 320.393 1.607 0 40 DDAB O=C1CCCN1[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@@H]21 107713076 HRUQFTWGUDAEQR-LNSITVRQSA-N 320.368 1.222 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)n(C)c1 27027057 AKUJKWUINLSPCL-UHFFFAOYSA-N 321.402 1.205 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)on1 27581209 BBNGEKQYWQCXBY-NSHDSACASA-N 306.343 1.259 0 40 DDAB Cc1noc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccccc1 58224239 OZXBVZUXVISZEP-UHFFFAOYSA-N 323.374 1.551 0 40 DDAB Cc1nc2ccc(C(=O)NCCN3CCOCC3)cc2nc1C 36139295 AQCGMWKGCQCSSM-UHFFFAOYSA-N 314.389 1.309 0 40 DDAB COCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 58331038 USECBUBSLIQHIR-UHFFFAOYSA-N 305.422 1.593 0 40 DDAB O=C(CN1CSCC1=O)Nc1nnc(-c2ccco2)s1 48252058 LDRCFWUMETUCSU-UHFFFAOYSA-N 310.360 1.270 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 3610084 CUGVENXYLLAABB-HNNXBMFYSA-N 312.325 1.825 0 40 DDAB CCc1c(C)sc2nc(CC(=O)N3CCOCC3)[nH]c(=O)c12 3887157 ZCGDGVFVMGIULV-UHFFFAOYSA-N 321.402 1.257 0 40 DDAB CNCC1CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 63159796 WSQZXNBWNWOTIG-UHFFFAOYSA-N 300.399 1.754 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1[nH]nc(C)c1Br 49120756 QFZBXZVWPQUUJR-VIFPVBQESA-N 316.199 1.979 0 40 DDAB Cc1occc1C(=O)Nc1cnn(CCN2CCOCC2)c1 69559321 BPIHRHKSWLEILW-UHFFFAOYSA-N 304.350 1.369 0 40 DDAB COCC[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)nc1 69590823 DPAPLIXZQYHMNQ-LBPRGKRZSA-N 308.382 1.465 0 40 DDAB CN1CC(=O)N(C[C@@H](O)c2cc(Cl)ccc2Cl)C1=O 69520903 XJCAQJAXTXQSRQ-SNVBAGLBSA-N 303.145 1.921 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 69652859 MQDAKNSVTSQQOS-RAIGVLPGSA-N 308.403 1.796 0 40 DDAB CC(=O)N1CCC(C(=O)NCCN(C)C2CCCCC2)CC1 65465203 SBCGGZLIBCGTQA-UHFFFAOYSA-N 309.454 1.626 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1nc(C)cc(N(C)C)n1 69706068 WAIBADQPFRTHPF-GJZGRUSLSA-N 317.437 1.831 0 40 DDAB O=C(NCCCN1CCCC1)c1cn(-c2ccc(F)cc2)nn1 65595842 ZXSDEWRUFOUPPI-UHFFFAOYSA-N 317.368 1.622 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 14188461 UDIFMYOGNWDRRU-HNNXBMFYSA-N 314.316 1.980 0 40 DDAB COC(=O)CNC(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 5427098 VFDZFWQGXQWPRU-UHFFFAOYSA-N 322.317 1.097 0 40 DDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(F)cc1 6590150 KQHKTDVHNNGDQR-UHFFFAOYSA-N 319.321 1.268 0 40 DDAB Cc1noc(N)c1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 16327047 LQYMBMMHLRNIFS-CYBMUJFWSA-N 315.329 1.742 0 40 DDAB CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 68961093 KPRSVTKTSHFNAT-NSHDSACASA-N 306.428 1.525 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(/C)Nc2ccccc2N)C1=O 9357713 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Cc1nc(S(=O)(=O)N[C@H](C)C[C@@H](O)c2ccco2)cn1C 95462048 MSKFHHGSDYZZBS-MWLCHTKSSA-N 313.379 1.112 0 40 DDAB Cc1cccn(CC(=O)NCCCOc2ccccc2F)c1=O 95417884 JTNCZKGTYWANOO-UHFFFAOYSA-N 318.348 1.881 0 40 DDAB O=C(O)[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 95425356 CYYWWRUYMFZIBB-GFCCVEGCSA-N 309.749 1.684 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 170613080 RPVUQQKYFIJTBV-JHJVBQTASA-N 309.369 1.794 0 40 DDAB Cc1nc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c2ccccn12 95961060 JTMVIPGUZRXAOR-WDEREUQCSA-N 321.402 1.290 0 40 DDAB CN(C)c1nc(N)nc(CSCc2ccc(C(N)=O)cc2)n1 9937926 SDTXFDPQLNECPX-UHFFFAOYSA-N 318.406 1.052 0 40 DDAB CCC1(O)CN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)C1 89652417 PVEAZZVMGCOLKY-UHFFFAOYSA-N 313.419 1.928 0 40 DDAB CC(C)[C@H]1CN(C(=O)c2cnc3sccn3c2=O)CCS1 89802130 NVEBWWODLXVORU-LLVKDONJSA-N 323.443 1.970 0 40 DDAB CC(C)C[C@@H](CO)NC(=O)NCc1ccnc(-n2ccnc2)c1 89821024 LOGROXJOVUDXIT-AWEZNQCLSA-N 317.393 1.474 0 40 DDAB COC(=O)C[C@H](c1cccnc1)c1c(O)n(C)c(C)cc1=O 1547206376 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301.325 1.534 0 40 DDAB NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2Cl)C1 45953111 HKIQDBHSBVMYHS-LURJTMIESA-N 317.570 1.941 0 40 DDAB CSC[C@@](C)(O)CNC(=O)[C@H](C(C)C)N1CCCCC1 96414661 FVAZNKQWGONCOP-ZFWWWQNUSA-N 302.484 1.727 0 40 DDAB Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCN(C)CC1 97213203 BLMFUGIMMYHGTK-UHFFFAOYSA-N 311.389 1.625 0 40 DDAB CN1[C@H]2CCN(Cc3cccnc3)C[C@H]2C[C@@H]1Cn1cccn1 96185671 SIFFBJDSUQGYJC-KURKYZTESA-N 311.433 1.873 0 40 DDAB COc1cc(OC)cc(N2CC[C@H](NCc3cnn(C)c3)C2)c1 96449352 ZFLQWUWHEBRYNO-AWEZNQCLSA-N 316.405 1.806 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccco1 96055198 YYWQSROMSOGCRM-BHYGNILZSA-N 308.422 1.837 0 40 DDAB O=C(c1cnc2n1CCN(Cc1ccncc1)C2)N1CCCC1 96198672 HIRURHLBXGAZJR-UHFFFAOYSA-N 311.389 1.530 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3cccs3)CC[C@@H]21 96249285 NICPIUZNVJTUEZ-KBPBESRZSA-N 324.446 1.700 0 40 DDAB Cc1cc([C@H]2CCCN2c2ncnc3c2cnn3CCO)no1 97200270 JVPNTXZSYMUVGI-CYBMUJFWSA-N 314.349 1.457 0 40 DDAB c1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)co1 97953445 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0 40 DDAB Cc1cc(N)cc([C@@H]2CN(C(=O)c3cc(C)on3)CCO2)n1 257286589 PMDXEJOXQPWCOV-AWEZNQCLSA-N 302.334 1.482 0 40 DDAB O=C([C@@H]1CCOC1)N1CCc2ncnc(-c3ccncc3)c2CC1 96090946 FMKABLAIWXPFES-CQSZACIVSA-N 324.384 1.502 0 40 DDAB Cn1cc(-c2cncc(CNC(=O)NC3CCOCC3)c2)cn1 390831489 SDFROAOTOZWHQC-UHFFFAOYSA-N 315.377 1.460 0 40 DDAB Cc1nc(N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2O)c2c(C)csc2n1 662898588 UZULAPLXXZYWNL-BBBLOLIVSA-N 307.375 1.944 0 40 DDAB CCCN(Cc1cnn(C2CCCC2)c1)[C@@H]1COC[C@@H](O)[C@H]1O 585290300 BICGLJQRJRNPKD-ZACQAIPSSA-N 323.437 1.331 0 40 DDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@H]12 585109158 YOVYFAWASCLMHM-BFHYXJOUSA-N 306.337 1.143 0 40 DDAB OC[C@@]1(Cc2ccc(F)cc2)CN(Cc2ncc[nH]2)CCO1 585276359 NCJLQIUVGYHJGG-MRXNPFEDSA-N 305.353 1.355 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@@H](C)N(C)c1ccccc1 44954819 XPDYOWKLZBFCIH-CYBMUJFWSA-N 316.409 1.622 0 40 DDAB COc1ccc(CN(C)C(=O)NCc2nnc3n2CCC3)cc1 55077864 KQIMKUFXQOJQDH-UHFFFAOYSA-N 315.377 1.575 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H]1COc2cc(OC)ccc2C1 69869310 VBMIEHPIVSAZQJ-JQWIXIFHSA-N 307.346 1.314 0 40 DDAB O=C(CCc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1=O 78986829 MIONWTXBKJXYAG-LBPRGKRZSA-N 314.307 1.899 0 40 DDAB CCOc1ccc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85436603 SJHMPLRSXGUWKE-KRWDZBQOSA-N 318.417 1.614 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCC1CCCCC1 102303779 DJBZEOOJDOOIHU-ZIAGYGMSSA-N 304.390 1.634 0 40 DDAB c1nc(N2CCN(c3ccc(C4CC4)nn3)CC2)c2c[nH]nc2n1 1775976285 YCLHKLLUFADQKX-UHFFFAOYSA-N 322.376 1.347 0 40 DDAB CCCNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715667 XXIFOQJZYCZWHC-ZDUSSCGKSA-N 316.398 1.897 0 40 DDAB CN(C)c1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 5728209 XFTFWNCILRNMFA-UHFFFAOYSA-N 315.377 1.094 0 40 DDAB COc1ccc(-n2[nH]c3[nH]c(C)c(Cl)c(=O)c3c2=O)cc1 17031256 QRAICLFFGGFYEN-UHFFFAOYSA-N 305.721 1.978 0 40 DDAB C[C@@H](C(=O)N[C@H](CO)Cc1ccc(O)cc1)N1[C@H](C)CC[C@H]1C 157108827 ZPJVDEPDERDOLN-NYTXWWLZSA-N 320.433 1.673 0 40 DDAB CN1CCN(C(=O)N(C)C[C@@H]2Cc3ccccc3CO2)CC1 225790054 ZFEJPSXZEIDPEI-INIZCTEOSA-N 303.406 1.427 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)C1 4670194 BIJPYEGILDRZEE-UTUOFQBUSA-N 304.412 1.006 0 40 DDAB COc1ccc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cc1 1888906560 PYGQVUMPEKMUEN-QGZVFWFLSA-N 318.417 1.909 0 40 DDAB COc1cnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)nc1 1889099087 NASCOUASGSFNOX-GFCCVEGCSA-N 322.434 1.277 0 40 DDAB Cc1ccnc(NC(=O)CCn2nnc3ccccc3c2=O)c1 27649321 SJZNHDPDCKRUAG-UHFFFAOYSA-N 309.329 1.524 0 40 DDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2ccccc2)no1 1775964179 VPWHZWUKUNBEJT-LBPRGKRZSA-N 314.345 1.683 0 40 DDAB biogenic,in-vitro C[C@H](N)[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 163190420 NOBFQGPMBKPHPR-MADCSZMMSA-N 304.724 1.806 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@@H](NC4CCCC4)CS3)C2)c1 2056223292 DOARMDFMNLMEFK-CYBMUJFWSA-N 320.462 1.652 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056224488 SEQAIMCOFCTEBK-AWEZNQCLSA-N 318.446 1.663 0 40 DDAB Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)s1 1614939691 VYBBBONJZGTRGW-OAHLLOKOSA-N 309.435 1.441 0 40 DDAB Cc1ccnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087139267 BYZXFGACLQDWMG-UHFFFAOYSA-N 310.423 1.178 0 40 DDAB CCSc1nnc(NC(=O)c2cc(=O)c(OC)co2)s1 16850847 HEYOFTAYURFIBZ-UHFFFAOYSA-N 313.360 1.864 0 40 DDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)CC2CC2)C1 2055771574 JDZXITRSJJPWHG-MRXNPFEDSA-N 304.394 1.089 0 40 DDAB CCc1cc(=O)n(CC(=O)NCCC2=CCCCC2)c(N)n1 49411019 VLRLOSQJZAKASI-UHFFFAOYSA-N 304.394 1.395 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(CCO)cc1 60366920 ABJQSDGQWBIBNX-UHFFFAOYSA-N 323.356 1.378 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 73099002 HAMFWHZKCXOIQT-LLVKDONJSA-N 321.402 1.369 0 40 DDAB Cc1nc(C)c(CC(=O)NCCSc2ccccc2)c(=O)[nH]1 31218007 RUWDLGIFQWNGKY-UHFFFAOYSA-N 317.414 1.838 0 40 DDAB C[C@@H](C(=O)NCc1csc(Br)c1)n1cncn1 31422621 JONXKZYVGAGUAF-ZETCQYMHSA-N 315.196 1.980 0 40 DDAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CCCCNC3=O)cnc21 40521796 AXLWIPLOGIAXPD-CYBMUJFWSA-N 315.377 1.411 0 40 DDAB 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NNNZEFRJJCUBQH-CQSZACIVSA-N 320.389 1.196 0 40 DDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccn(C)n2)cc1 12982263 YGGNNIBPHBRXLE-UHFFFAOYSA-N 322.390 1.036 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1OC 13119537 DHPRZEQLXRWFOD-UNJBNNCHSA-N 321.329 1.521 0 40 DDAB CCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C 13215745 AFBGHNCPZKUANB-UHFFFAOYSA-N 316.383 1.244 0 40 DDAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 14673597 JEBHSSUGZOFZBQ-AWEZNQCLSA-N 311.426 1.703 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 15413959 KFWPZTDWLSIUGK-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)O 12946201 CDGSPWQKWAKHGJ-INIZCTEOSA-N 302.330 1.850 0 40 DDAB in-vitro NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 23990078 NXCDFNRVXMJGAE-UHFFFAOYSA-N 318.402 1.039 0 40 DDAB COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2c(C)csc2n1 27561500 HTXPRKYLZDJLAH-LBPRGKRZSA-N 321.402 1.592 0 40 DDAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(C(=O)O)cc1 35252763 POGSEJALRIZFNH-JTQLQIEISA-N 309.343 1.887 0 40 DDAB O=C(O)c1csc(S(=O)(=O)NCCc2ccccc2)c1 13305518 JZWHXNSJXIHCOP-UHFFFAOYSA-N 311.384 1.967 0 40 DDAB CCOC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1OC 5339421 AOPUWWKBVYVAOL-UHFFFAOYSA-N 314.363 1.804 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)C[C@H]1c1ccc2c(c1)OCO2 6667782 RUBAGMZCOLBUHU-NSHDSACASA-N 303.314 1.808 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889115 BFZHAISXLNXDTK-CYBMUJFWSA-N 324.450 1.486 0 40 DDAB COc1nc(CNC(=O)/C=C/c2cccs2)nc(N(C)C)n1 575608801 YKIKHNDUEUZVJW-VOTSOKGWSA-N 319.390 1.337 0 40 DDAB CC1CCN(CCNS(=O)(=O)c2ccc(F)cc2F)CC1 40105110 KEWJTKWMUSERIT-UHFFFAOYSA-N 318.389 1.975 0 40 DDAB CS(=O)(=O)NC1CCN(c2cnc3ccccc3n2)CC1 30772290 BSMDGBZKGCIQEN-UHFFFAOYSA-N 306.391 1.148 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 50721362 DCSZQGJQVOISEO-GFCCVEGCSA-N 315.377 1.336 0 40 DDAB O=C(NCCc1cccnc1)[C@H]1CC(=O)N(Cc2ccco2)C1 40510483 OMLHRBHMYKDHFY-AWEZNQCLSA-N 313.357 1.382 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cc(Cl)c2c(c1)OCCO2 40521542 LPRFETTVKVNATN-NSHDSACASA-N 324.764 1.510 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc(OCC(=O)OC)cc1 40535890 AUBCPLLAWXEJET-UHFFFAOYSA-N 321.358 1.905 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1c(Cl)cnn1C 20615196 YBFXEGFPIWTLMH-UHFFFAOYSA-N 317.802 1.234 0 40 DDAB Cc1n[nH]c(SCc2nc(N)nc(Nc3ccccc3)n2)n1 11705317 YTXJSSSEMJWINJ-UHFFFAOYSA-N 314.378 1.916 0 40 DDAB CCNC(=O)NC(=O)CN1CCC[C@H](CN2CCCCCC2)C1 69592567 FRCTYPWGQGNHHJ-OAHLLOKOSA-N 324.469 1.420 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccccc2F)n1 568926 ZQFFHSPDDQFNMP-UHFFFAOYSA-N 308.342 1.349 0 40 DDAB NC(=O)NCCCCCC(=O)N[C@H]1CCOc2ccccc21 32739294 ARSNQZOSJWAXTJ-ZDUSSCGKSA-N 305.378 1.855 0 40 DDAB CN(Cc1ccccc1N1CCCCC1)C(=O)Cn1cnnn1 52409486 OBHYOMNXWFTBFD-UHFFFAOYSA-N 314.393 1.322 0 40 DDAB CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)[nH]1 69527950 MVNPDDAFJCYYOM-VHSXEESVSA-N 324.337 1.090 0 40 DDAB CC[C@H](CO)NC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12391004 NAYOHRKYAKSIAP-SECBINFHSA-N 300.318 1.719 0 40 DDAB Cc1cccn2c(=O)c3cc(C(=O)N4CCCC4)n(C)c3nc12 2917213 OELGBFRRTWZIGF-UHFFFAOYSA-N 310.357 1.731 0 40 DDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(C)sc1C 24686376 RWKGRJQMNXFLQX-LLVKDONJSA-N 316.448 1.654 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(C(N)=O)cc1 23223808 KRLDLKPRTRPFCG-RYUDHWBXSA-N 318.373 1.732 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCCO2)cc1 3258279 KWBZAWBKBJHSBU-LBPRGKRZSA-N 313.375 1.273 0 40 DDAB CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 100643203 XWYTZJYDSLCDCZ-YRBFXIGRSA-N 319.401 1.910 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 43095403 QTVJDILZFHHWIP-OLZOCXBDSA-N 320.393 1.076 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)Cn1cccn1 72281264 HEBBPYYUKPMRGP-PWSUYJOCSA-N 304.398 1.239 0 40 DDAB Cc1cc(OCC(=O)N2CCC[C@H](c3noc(C)n3)C2)no1 72231928 NURAJQCVASXVFN-NSHDSACASA-N 306.322 1.459 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccsc1 25290599 CUFFGKLKJWMENP-UHFFFAOYSA-N 303.387 1.910 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C12CCC2 106916551 SNLYCJXFJIJRJF-IACUBPJLSA-N 320.389 1.862 0 40 DDAB Cc1cc2ncc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(C)n2n1 25387525 GEMZTDWAAUNERC-UHFFFAOYSA-N 322.328 1.768 0 40 DDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2)C1 35154689 NTNMRLSAWQGWDF-ZDUSSCGKSA-N 311.403 1.959 0 40 DDAB C[C@H](NC(=O)NCCCN(C)c1ccccc1)c1nncn1C 48235209 NILSFKZMVOOFCR-ZDUSSCGKSA-N 316.409 1.702 0 40 DDAB COC(=O)CCS[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 3321684 SMLQFNBAIXMNIK-LBPRGKRZSA-N 307.371 1.923 0 40 DDAB CC[C@]1(C)NC(=O)c2cc(Br)ccc2-n2nnnc21 35615808 FHMJHWJZPMXGQU-LBPRGKRZSA-N 322.166 1.793 0 40 DDAB Cc1c(NC(=O)CN(C)C2CC2)c(=O)n(-c2ccccc2)n1C 58015362 VLUSPXQYNYTGOU-UHFFFAOYSA-N 314.389 1.517 0 40 DDAB C[C@H]1CN(C(=O)NCCNC(=O)CC2CCCCC2)CCO1 72230653 MDHQFYGXZHWDCL-ZDUSSCGKSA-N 311.426 1.503 0 40 DDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O 58181697 ITKBOLLQRZYTRV-MRXNPFEDSA-N 319.336 1.215 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2O1 58223587 IWFAATASWYSZBX-CABCVRRESA-N 316.401 1.897 0 40 DDAB COc1ccc(CNCCN2CCOCC2)c(OC)c1OC 22076180 MQEUFBSZWDEMJR-UHFFFAOYSA-N 310.394 1.134 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccccc1F 44955334 KEYFVXBECMORMF-FZMZJTMJSA-N 306.341 1.444 0 40 DDAB Cc1nc(CCNC(=O)N[C@H]2CCN3CCCC[C@H]23)cs1 44967735 MVOYMOITWZPIKB-UONOGXRCSA-N 308.451 1.920 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)c1ccc(N2CCCC2=O)cc1 36398434 IBWFOAWTXHARTJ-LBPRGKRZSA-N 313.361 1.223 0 40 DDAB COC(=O)[C@H]1CCCCN1CC(=O)N1c2ccccc2C[C@H]1C 36385880 FPDCFNULASQYFX-CZUORRHYSA-N 316.401 1.992 0 40 DDAB O=C(NC1CCC(O)CC1)c1cn(-c2ccccc2Cl)nn1 58781215 FTJVBKJILKZOQH-UHFFFAOYSA-N 320.780 1.954 0 40 DDAB COc1cc(NC(=O)COC(=O)c2ccccn2)cc(OC)c1 3507619 CDOFGPMDEDLYNC-UHFFFAOYSA-N 316.313 1.894 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1Cc3ccccc3O1)C2 69879638 BUOQOFSYXUSFHS-AWEZNQCLSA-N 312.373 1.747 0 40 DDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCOCC1 13009379 PFCAXYNWWIGCCC-MRXNPFEDSA-N 300.358 1.809 0 40 DDAB C[C@H](NC(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 18148503 FMMXRCKZVXQYFD-WXHSDQCUSA-N 319.361 1.600 0 40 DDAB Cc1cnn(CCNCCCn2c(=O)oc3ccccc32)c1 69974094 RDNYAHPUYCFKLE-UHFFFAOYSA-N 300.362 1.779 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)nn1 5026088 RBKKMVOUEOFCDY-UHFFFAOYSA-N 302.334 1.710 0 40 DDAB CN(CCNC(=O)c1ccn(-c2ccc(F)cc2)n1)C1CC1 65414410 WDPNZFFVYPQWAY-UHFFFAOYSA-N 302.353 1.835 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 4475874 DGAXAPNCZSSXIK-YVEFUNNKSA-N 317.389 1.614 0 40 DDAB CCc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O 14185447 SYJYNJBPEMHLIT-UHFFFAOYSA-N 308.341 1.993 0 40 DDAB CC(C)NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 65603866 QNLGZXZEOCJGNP-UHFFFAOYSA-N 306.753 1.989 0 40 DDAB NC(=O)[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 92735464 NCRJSEGZJLUCID-ZDUSSCGKSA-N 320.780 1.416 0 40 DDAB CCNC(=O)NC(=O)CNc1ccc(-n2cccn2)c(Cl)c1 66825736 LAWTVECVVHVSAA-UHFFFAOYSA-N 321.768 1.783 0 40 DDAB CC[C@H](c1nnc(SCC(=O)NCC(C)C)o1)N(C)C 6940003 BQVSEEJMWAJJJN-SNVBAGLBSA-N 300.428 1.947 0 40 DDAB C[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)NC1CC1 7556001 BXNOTOBYXCOPHN-SNVBAGLBSA-N 305.330 1.211 0 40 DDAB COC(=O)c1cc(NC(=O)c2cc(C)on2)cc(C(=O)OC)c1 7969172 YUXQAVWCVONGRE-UHFFFAOYSA-N 318.285 1.809 0 40 DDAB Cn1ccnc1N1CCN(c2ncnc3sccc23)CC1 77209554 BQXSDHZAJPHAHW-UHFFFAOYSA-N 300.391 1.751 0 40 DDAB CC(C)Oc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)cn1 70038659 KLIYFYADZRDWOG-ZDUSSCGKSA-N 307.394 1.007 0 40 DDAB CCCNC(=O)CSCc1ccc(S(=O)(=O)N(C)C)o1 69349259 UUHAUYAOYSBIOC-UHFFFAOYSA-N 320.436 1.289 0 40 DDAB O=C1NCCN1C1CCN(Cc2nc(-c3ccoc3)no2)CC1 69369979 AHVMRJZFYSQFRD-UHFFFAOYSA-N 317.349 1.319 0 40 DDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2cnn(C)c2)C1 78088251 KUMISXKIFKOWKH-CYBMUJFWSA-N 321.425 1.826 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCc2c(C)nn(CCO)c2C)c1 69455054 ATFLHHAUVOHSCA-OCCSQVGLSA-N 305.426 1.736 0 40 DDAB O=C(CN1Cc2ccccc2C1=O)N1CCC[C@H](n2cccn2)C1 69418391 HRDWLWBNGWSWGA-HNNXBMFYSA-N 324.384 1.703 0 40 DDAB CCOC(=O)c1cccc(S(=O)(=O)N(C)CCN(C)C)c1 72313051 HFRRXJNQBYZLBP-UHFFFAOYSA-N 314.407 1.045 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)Nc2cccnc2)n1 71876124 RTBYLFRUWMTOPS-MRXNPFEDSA-N 313.405 1.998 0 40 DDAB C[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CC(C)(C)O1 71831206 FNCSMXSRRCZIII-GFCCVEGCSA-N 300.362 1.907 0 40 DDAB Cc1noc2ncc(C(=O)N3CCN4CCCC[C@@H]4C3)cc12 71839828 XNTHANRAWJFYJY-CYBMUJFWSA-N 300.362 1.842 0 40 DDAB CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C)C1=O 83881663 YCYCJMNQNPNVLL-CYBMUJFWSA-N 302.378 1.421 0 40 DDAB Cc1c(C(=O)Nc2nncn2C)cnn1-c1ccccc1F 97379038 KCLXOWXKCKPCBB-UHFFFAOYSA-N 300.297 1.701 0 40 DDAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC(=O)N(C)C1 84068099 ODPSVDZYWBXFLN-CYBMUJFWSA-N 311.385 1.741 0 40 DDAB Cc1ccc2[nH]nc(C(=O)N(C)C3CCS(=O)CC3)c2c1 78986823 KFUIPXQOXXFUIJ-UHFFFAOYSA-N 305.403 1.854 0 40 DDAB CCC[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1nnn[nH]1 84740424 MQGNUAQEXFPMRV-NWDGAFQWSA-N 301.350 1.723 0 40 DDAB CC[C@@H](C(=O)N[C@H](C)CC(=O)c1ccco1)N1CCCC1=O 95413760 ZALUKJVCDNYVCP-NEPJUHHUSA-N 306.362 1.758 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)nc1 95423980 AQVFUCGGAHCCFT-UHFFFAOYSA-N 317.320 1.988 0 40 DDAB C[C@@]1(c2cccnc2)NC(=O)N(Cc2nc(C3CC3)no2)C1=O 85268344 LFVIISNTKRJPNA-HNNXBMFYSA-N 313.317 1.309 0 40 DDAB CC(C)n1ccc(CCNC(=O)N(C)C[C@H]2CCC[C@H]2O)n1 95974489 BWAOIPYQFCJJED-UKRRQHHQSA-N 308.426 1.809 0 40 DDAB CC[C@H](C(=O)NCC1CCN(c2ccncc2)CC1)N(C)C 89393747 CGVATRZIQRKSAW-MRXNPFEDSA-N 304.438 1.754 0 40 DDAB Cc1cc(NCCNC(=O)NC2CCCCC2)n2ncnc2n1 89598872 KAHGSUCRCMHEOC-UHFFFAOYSA-N 317.397 1.477 0 40 DDAB CO[C@](C)(C(=O)O)C(=O)Nc1nn(Cc2ccccc2)cc1C 1548453583 HUZDGIZXTBQYNN-INIZCTEOSA-N 317.345 1.668 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)N1CCN(CC(F)F)CC1 68906182 CQQYVULDWOOATD-UHFFFAOYSA-N 322.352 1.538 0 40 DDAB CN(C)CC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551517033 HMYYQJLCGXOOMD-IAGOWNOFSA-N 316.449 1.594 0 40 DDAB CC[C@@H]1CC[C@H](C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)O1 548660494 IKMNHCXFZLVXON-MCIONIFRSA-N 323.393 1.920 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCOc2ncccc2C1 521393988 WXWVSNKHAHEGJX-UHFFFAOYSA-N 322.390 1.015 0 40 DDAB COc1ccc2c(=O)c(C(=O)NCCc3cnc[nH]3)c[nH]c2c1 524733464 MAXLGEAOXDOQQN-UHFFFAOYSA-N 312.329 1.232 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(N)cc2)C1 38541227 VKXBJVVMIPLVRX-GJZGRUSLSA-N 320.437 1.868 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 79391394 XEFVMYBQNZHDFI-OLZOCXBDSA-N 313.442 1.828 0 40 DDAB CCOC(=O)N[C@@H](CNC(=O)Cn1ccccc1=O)CC(C)C 36394396 ZVZCSDQBZXNMLZ-CYBMUJFWSA-N 323.393 1.125 0 40 DDAB CCN(C)[C@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1 78402291 GGKVIIMXENMBKP-HNNXBMFYSA-N 324.446 1.373 0 40 DDAB Cn1ccnc1CN1CCN2C(=O)N(c3ccccc3)C[C@H]2C1 77266518 SFPHHKAKWCWOAY-OAHLLOKOSA-N 311.389 1.547 0 40 DDAB biogenic,in-vitro CC1(C(N)=O)CN(C(=O)c2cc(Cl)ccc2OC(F)F)C1 565019323 AVHJPIRBNWXVFY-UHFFFAOYSA-N 318.707 1.889 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 74689360 WTEKPWUHOJTPBI-HOCLYGCPSA-N 318.417 1.966 0 40 DDAB Cn1cc(CN2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)cn1 77266554 LCFKZHQAEGZEMM-MRXNPFEDSA-N 311.389 1.547 0 40 DDAB biogenic,in-vitro COc1ccccc1NCC(=O)NCCCn1ccccc1=O 79044527 HMRMUTFCMRNHHJ-UHFFFAOYSA-N 315.373 1.475 0 40 DDAB CC(C)[C@H](C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225197009 OSHYRSSPUSJHJF-NSHDSACASA-N 316.398 1.752 0 40 DDAB Cc1nc(NC(=O)NCc2cccc(-n3cncn3)c2)nn1C 48159295 BTNLYSHCPWGBLF-UHFFFAOYSA-N 312.337 1.026 0 40 DDAB CCS(=O)(=O)c1ccc(N(C)CC(=O)NC(C)(C)C)cc1 195576068 JAJGQDKXMGHEFF-UHFFFAOYSA-N 312.435 1.831 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)NC2CC2)cc1 97104397 NMBNVBSVJMWODM-CQSZACIVSA-N 308.403 1.338 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCCC2)C1 97953438 KZBYXJKPAPFQRX-CFVMTHIKSA-N 321.446 1.859 0 40 DDAB Cc1nc(N2CCO[C@H](c3nccs3)C2)c2cnn(C)c2n1 97203878 BLMZGWXPDGCBOO-NSHDSACASA-N 316.390 1.706 0 40 DDAB CN(C)CC(=O)N1CCC[C@]2(CCCN2Cc2ccncc2)C1 96071490 NUCWVGPTGHLWIH-SFHVURJKSA-N 316.449 1.600 0 40 DDAB Cn1cc(CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cn1 96406828 HHDGWDMEXYOUSM-OAHLLOKOSA-N 313.405 1.888 0 40 DDAB CS(=O)(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 96428262 PLKNIVQKMWQOJH-UHFFFAOYSA-N 318.704 1.682 0 40 DDAB CC(=O)NC(C)(C)c1noc(C2=NN(CC(C)C)C(=O)CC2)n1 330956023 UKWNTPSDSXEYOR-UHFFFAOYSA-N 321.381 1.423 0 40 DDAB CC(=O)N1CCOC[C@@]2(CN(Cc3ccc(C)s3)CCO2)C1 96229527 LWEQSRMSWVRERX-MRXNPFEDSA-N 324.446 1.506 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96049256 UEVDMBXTJQWMMF-UHFFFAOYSA-N 323.418 1.628 0 40 DDAB Cc1nc(CN2C(=O)COC3(CCN(C)CC3)[C@@H]2C)cs1 96201591 MOKDRCLXKJNRHH-NSHDSACASA-N 309.435 1.663 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCOC[C@H]1CCCO1)C2 97198901 AYDSJERCHJHXFF-UONOGXRCSA-N 307.394 1.208 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccc[nH]1)CC2 96217837 QBGIOTQYHSVFGD-QGZVFWFLSA-N 319.405 1.648 0 40 DDAB CO[C@H]1CCN(C(=O)c2ncccn2)[C@@H]2CN(CC3CC3)C[C@H]12 96218273 DEOLICKWKAOGBY-ZNMIVQPWSA-N 316.405 1.048 0 40 DDAB CN(C)C1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 96502240 KLMNLHLJYVPKQL-UHFFFAOYSA-N 320.361 1.265 0 40 DDAB c1cnc(N2CC3(CC[C@H](CN4CCCCC4)CO3)C2)nc1 247943683 HMMPJLNNQMSJHC-OAHLLOKOSA-N 302.422 1.948 0 40 DDAB COc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2C[C@H]2CCCO2)cc1 242722952 XZKFTDREKPHAIA-IJEWVQPXSA-N 319.357 1.848 0 40 DDAB Cc1cc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)ccn2n1 257232690 GLYYJWAKZDBNCU-UHFFFAOYSA-N 310.361 1.781 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)NCCCc2ccccc2)C1 257207232 BGYMZTGIMOPKBV-KRWDZBQOSA-N 304.390 1.373 0 40 DDAB CC(=O)N1CCC(c2cnc(N3C(=O)OCC3(C)C)cn2)CC1 257287566 PQMJBAAAGJCCNT-UHFFFAOYSA-N 318.377 1.938 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257228401 FTRKZBGJSOZEHU-SECBINFHSA-N 319.390 1.616 0 40 DDAB CN1C(=O)CO[C@@H]2CCN(Cc3cc4ccccc4o3)C[C@@H]21 257241906 IAESBHPSALNSOH-GOEBONIOSA-N 300.358 1.864 0 40 DDAB COc1ccc(F)cc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1 257276494 NTZWMZPCXKWOPQ-QGZVFWFLSA-N 322.380 1.507 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(Cc3nccn3C)CC2)C[C@H](C)O1 43272088 HUCLDQIRPMHPGI-KBPBESRZSA-N 320.437 1.268 0 40 DDAB CCC(=O)N1CCC[C@H]1c1ccnc2c(C(=O)NC)cnn12 257223824 DZAVUPPGUNDPMU-NSHDSACASA-N 301.350 1.162 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2ccnc(NC(C)=O)c2)[C@H]1O 257302258 SCDVWIAAKNWEOQ-UMVBOHGHSA-N 321.377 1.088 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1 257336609 YPFBAVJBBPVKHK-INIZCTEOSA-N 318.327 1.731 0 40 DDAB NC[C@H]1CC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)CC1 257259210 KXIUJOVSBMBLJK-JCNLHEQBSA-N 316.449 1.491 0 40 DDAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)CCO2)c1cccnc1 90744397 DNIBOUPTHDXJMD-CQSZACIVSA-N 320.370 1.028 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)[C@H]2C[C@H]2C)C3)n1 575404201 MRSMLDWBUCSNCR-BNOWGMLFSA-N 317.389 1.580 0 40 DDAB Cc1nc(C(=O)NCC[C@@H]2CN(C)Cc3ccnn32)cs1 585112955 ZNIQFOQFVPSBHS-LLVKDONJSA-N 305.407 1.455 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccc2c(c1)CCO2 69571104 YYLWRGGDXVZUIC-XJKSGUPXSA-N 319.357 1.632 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C)o1 69654489 TUYKQOAYCKOBMW-UHFFFAOYSA-N 309.343 1.853 0 40 DDAB CNC(=O)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 69869365 KEPDYSPYYCKGGF-CQSZACIVSA-N 321.396 1.290 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCc2ccccc21 69893150 KQANMQJMRSSJQL-MRXNPFEDSA-N 310.401 1.937 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2C)C1 95999489 DMVRDXPFMUPGMQ-CQSZACIVSA-N 300.399 1.648 0 40 DDAB Cn1cc(CN2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 89755742 JIIPSNZDNPAMLG-QZTJIDSGSA-N 312.417 1.505 0 40 DDAB CCOc1ccc(CC(=O)NCc2nnc(SC)n2C)cc1 5001718 QHOXFVVMAKVYFL-UHFFFAOYSA-N 320.418 1.795 0 40 DDAB CC(=O)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O 12182825 NOILHFGXEWYEME-LBPRGKRZSA-N 303.387 1.983 0 40 DDAB Cc1cccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)c1 13004850 AQEHFCRYHCAERN-UHFFFAOYSA-N 309.329 1.988 0 40 DDAB CCN(CC)CC(=O)N(C)Cc1cc([C@@H]2CCCNC2)nn1C 19709049 OAUNNSGTYYPORB-CQSZACIVSA-N 321.469 1.187 0 40 DDAB O=S(=O)(O)c1cc(Br)c2cccnc2c1O 205398634 XWZCNMGJWOCRSM-UHFFFAOYSA-N 304.121 1.950 0 40 DDAB CC[C@@H](CO)NC(=O)NCCc1ccc(Br)o1 154987192 JFENJDBHGOJTOO-QMMMGPOBSA-N 305.172 1.655 0 40 DDAB Cc1cc(C)nc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1 1888864298 KMBCLZYUSAZETD-UHFFFAOYSA-N 310.423 1.144 0 40 DDAB COc1ccc2nccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 1889117814 HTWBSERLWKLHRT-SNVBAGLBSA-N 320.370 1.160 0 40 DDAB C[C@H]1CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[C@@H](C)CO1 27646333 HPJOBIXAXJLWMU-STQMWFEESA-N 319.405 1.543 0 40 DDAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)n[nH]c1=O 32672300 XTCASIANMLTDIV-UHFFFAOYSA-N 300.290 1.117 0 40 DDAB COc1ccccc1C(=O)OCn1nnc2ccccc2c1=O 428852 FEDICGUBHKRNDD-UHFFFAOYSA-N 311.297 1.615 0 40 DDAB CCOC(=O)CNC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062492 AISMNRCVPVQHDZ-UHFFFAOYSA-N 302.330 1.349 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)Cn1c(=O)oc2ccccc21 21540533 GEYPAVBBEFEMKV-LLVKDONJSA-N 300.314 1.935 0 40 DDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3ccsc3)cc2)n1 70999402 NESAEBUEECFBKV-UHFFFAOYSA-N 314.330 1.075 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccnn3C)C[C@H]2C[C@@H]1O 2332242705 JYDKNLKKNSHLEC-FSDCSDTHSA-N 315.421 1.369 0 40 DDAB Cc1csc(NC(=O)Cn2ncc3ccccc3c2=O)n1 30616442 LWQHNBKBHQXRNG-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCc1ccccn1 40459740 VFWUTTHEPGDEHJ-OAHLLOKOSA-N 315.373 1.788 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCCC1 20574868 VGGPWDMTTSHNQW-UHFFFAOYSA-N 300.380 1.593 0 40 DDAB O=C(NCCc1ccccc1)[C@@H](c1ccccc1)n1cnnn1 32101514 SHOWKWLIBDQSIG-MRXNPFEDSA-N 307.357 1.621 0 40 DDAB COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1 490691 FJYXARRGVVGTHV-HNNXBMFYSA-N 315.325 1.827 0 40 DDAB Cc1csc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n1 2639386 UAJPJHLBNDCGNO-UHFFFAOYSA-N 316.342 1.093 0 40 DDAB O[C@H](COCc1cccs1)CN1CCC[C@@H]1Cn1cncn1 69621032 AQVTZHDAWVDOKU-KGLIPLIRSA-N 322.434 1.382 0 40 DDAB Nc1nc2c(c(-c3ccccc3)n1)CN(CCCC(=O)O)C2=O 1725295 KHQDCPUXVPZIBU-UHFFFAOYSA-N 312.329 1.546 0 40 DDAB CC[C@H]1CCCCN1C(=O)CN1CCC(N2CCNC2=O)CC1 52215579 BHAOJIAVKLHNFA-AWEZNQCLSA-N 322.453 1.267 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 32750899 RAAMHMUYXBLOHS-BLLLJJGKSA-N 322.336 1.286 0 40 DDAB C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H](O)COCc1ccccc1 69654316 RHHHSLPNGMHAKC-ZBFHGGJFSA-N 322.449 1.799 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccccc1Cl 4453944 SZOXQCOCAKFNBL-UHFFFAOYSA-N 306.753 1.682 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2 4581385 GKLNDEJCFRXBHF-UHFFFAOYSA-N 310.375 1.628 0 40 DDAB CC(=O)NC(=S)Nc1ccc(I)cn1 6562851 LPKXSYAEDAVRPB-UHFFFAOYSA-N 321.143 1.519 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 7374547 VMZBRGGWLYGZPM-UHFFFAOYSA-N 314.407 1.093 0 40 DDAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 7779722 NGFJUFZFLGZIBA-MNOVXSKESA-N 302.330 1.652 0 40 DDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCCO1 32925218 LOIHIFVOPDDZIK-JTQLQIEISA-N 304.268 1.818 0 40 DDAB COc1ccc(NC(=O)CSc2nnc3n2CCC3)cc1 8048432 UMFWNWVWVQCQLR-UHFFFAOYSA-N 304.375 1.964 0 40 DDAB Cn1cc(CCc2nc(CC(=O)NC3CCCCC3)no2)cn1 69704843 AVWIETXTRDCECH-UHFFFAOYSA-N 317.393 1.580 0 40 DDAB CCN1C(=O)C[C@H](Nc2cccc(N3CCCC3=O)c2)C1=O 103022424 NBFDQDQCUHLBTI-ZDUSSCGKSA-N 301.346 1.373 0 40 DDAB O=C(O)[C@]12Nc3ccccc3[C@@](C(=O)O)(Nc3ccccc31)O2 100724771 PXEUECDUVOBJPD-IYBDPMFKSA-N 312.281 1.729 0 40 DDAB CCN(C(=O)[C@@H]1CCCc2ccccc21)[C@@H]1CC(=O)NC1=O 103372871 ZJIOFLOVFGWXMM-ZIAGYGMSSA-N 300.358 1.370 0 40 DDAB CCN(C(=O)CSc1nc(N)cc(=O)[nH]1)c1ccccc1C 9704066 XQTPICHTXHCEIM-UHFFFAOYSA-N 318.402 1.806 0 40 DDAB O=C1O[C@H](C(=O)NCc2cn3ccccc3n2)Cc2ccccc21 22699237 GDMITBVUFAUSIV-HNNXBMFYSA-N 321.336 1.732 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)CCNc3ncccn3)C2)n1 54120490 FVPOLZPXVWUKDP-GFCCVEGCSA-N 316.365 1.376 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)O[C@]1(C)[C@H]1[C@H]2[C@]2(C)C=C[C@H]1O2 104044149 XWPHQVZRCZJWTC-JZRZFUOESA-N 320.341 1.150 0 40 DDAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@@H](c2cccc(Br)c2)N1 22107335 YPGQWOXJMNJVIU-WDEREUQCSA-N 322.162 1.861 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc2c(c1)OCO2 102631196 IMQGQNAGJKXOCM-RYUDHWBXSA-N 313.309 1.549 0 40 DDAB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2cccn2)CC1 24691187 QTVKPJDCOJXBCF-UHFFFAOYSA-N 312.373 1.760 0 40 DDAB CCOC(=O)/C(C(N)=S)=C1/NN=C(c2ccc(OC)cc2)O1 109349986 IRUJPUUGIJJQHL-RAXLEYEMSA-N 321.358 1.037 0 40 DDAB Cc1ccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)c(C)c1 25658944 NOGODJFAXYEZSM-OAHLLOKOSA-N 306.406 1.240 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 24073077 ADWFRKFLUWMNKW-CYBMUJFWSA-N 317.432 1.105 0 40 DDAB CCCc1ncc(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)s1 76045255 CRUJQEMLPFXJGS-JTQLQIEISA-N 321.406 1.736 0 40 DDAB Cc1cc(NC(=O)CS(=O)(=O)Cc2c(C)noc2C)no1 44639692 BQOHEYUUKUGJSR-UHFFFAOYSA-N 313.335 1.141 0 40 DDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccco1 44716355 FOKMEHVDEHTRNC-GFCCVEGCSA-N 302.396 1.202 0 40 DDAB Cc1cc(NC(=O)NC2CCN(C[C@H]3CCOC3)CC2)n(C)n1 76774375 QNCUJFBNWPDQJL-CYBMUJFWSA-N 321.425 1.351 0 40 DDAB COc1ccc(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1F 44890604 DGOFBEORBNEMJJ-AWEZNQCLSA-N 320.364 1.646 0 40 DDAB NC(=O)[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1 10268444 ASSBDPJQCHVPDT-MRXNPFEDSA-N 309.325 1.713 0 40 DDAB c1ccc(-n2nnnc2CN2CCN(C3CCCC3)CC2)cc1 44910558 ONEBCUFEALHBTH-UHFFFAOYSA-N 312.421 1.723 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 44950205 ARFYJGXTMJELGK-RYUDHWBXSA-N 316.365 1.612 0 40 DDAB Cc1nccc(C(=O)NCc2cccc(N3CCOC3=O)c2)n1 58421131 DAEJVTWCRXQKRK-UHFFFAOYSA-N 312.329 1.672 0 40 DDAB CN(C)C(=O)CS(=O)(=O)Cc1ccccc1C(F)(F)F 58594174 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O=C(NC1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842432 NIJSZFYSLMZDKJ-UHFFFAOYSA-N 322.386 1.426 0 40 DDAB CCCCOCCCNC(=O)COCC(=O)N(CC)CC 19809879 JFHAELDTDNRGFZ-UHFFFAOYSA-N 302.415 1.194 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 68128492 GGDRZTBAOLVFPS-JKSUJKDBSA-N 321.469 1.203 0 40 DDAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(S(N)(=O)=O)c1 16478915 NOWMDHIMXGPGRW-UHFFFAOYSA-N 314.363 1.164 0 40 DDAB CC(C)CNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21 9306667 XRTLBTYJBKTXEO-AWEZNQCLSA-N 317.389 1.371 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218516134 GOFMPXOHXQZUAS-IHRRRGAJSA-N 301.383 1.318 0 40 DDAB c1ccc(-n2ccc(CN3CCO[C@@H](Cn4cccn4)C3)n2)cc1 69436917 UHOYDKXZYVFGPG-GOSISDBHSA-N 323.400 1.970 0 40 DDAB CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)[nH]1 69527946 MVNPDDAFJCYYOM-NXEZZACHSA-N 324.337 1.090 0 40 DDAB CCc1noc([C@@H](C)N2CCN(Cc3noc(C)n3)CC2)n1 71871596 ZYNOKPTZNBNCGV-SNVBAGLBSA-N 306.370 1.202 0 40 DDAB O=C(CC[C@H]1CCCO1)N1CCC(Nc2cccnn2)CC1 71863368 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CCCCNC(=O)Cn1cc(Br)c(OC)cc1=O 95979993 URPHQRIKTXRYJA-UHFFFAOYSA-N 317.183 1.536 0 40 DDAB CC[C@H](C(=O)/N=c1/[nH]nc(-c2ccc(C)o2)[nH]1)N1CCCC1=O 95996083 HDIHTVNDHQXSEF-SNVBAGLBSA-N 317.349 1.135 0 40 DDAB O=S(=O)(Cc1csc(-c2cccs2)n1)c1cn[nH]n1 95972474 IDSLSHDXRLIRDE-UHFFFAOYSA-N 312.401 1.964 0 40 DDAB C[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)[C@@H]1CCOC1 95980831 AEKIANFBPNSZJZ-NXEZZACHSA-N 305.346 1.809 0 40 DDAB CN(C)CCN(C1CCCC1)S(=O)(=O)N(C)C1CCCC1 89314265 LXEQBSSRIDNDCZ-UHFFFAOYSA-N 317.499 1.912 0 40 DDAB O=C1CN(C(=O)NCC2(Cc3ccccc3)CCC2)CCN1 89830286 IUPWAJMBOHKEBK-UHFFFAOYSA-N 301.390 1.541 0 40 DDAB CCCc1ccc(S(=O)(=O)Nc2ccc3nncn3n2)cc1 33277223 JZPZXWOEYOOUEW-UHFFFAOYSA-N 317.374 1.878 0 40 DDAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCN1CCOCC1 20459767 OOQOGEFWOIBMEC-QGZVFWFLSA-N 320.433 1.991 0 40 DDAB C[C@@H](CCN1CCOCC1)NC(=O)c1cc2ccccn2c1 73620001 ZBAFRMOJIAUIIJ-AWEZNQCLSA-N 301.390 1.780 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2N1C(C)C 306138770 SGVCRUGXVOIOSE-UPJWGTAASA-N 308.451 1.172 0 40 DDAB COc1cccc(NC(=O)NCCc2nncn2C2CC2)c1 77468716 PETJETJRLZYODI-UHFFFAOYSA-N 301.350 1.986 0 40 DDAB CC1(c2[nH]ncc2S(C)(=O)=O)CCN(c2ccccn2)CC1 72388860 FYPWMXCUVCVWLR-UHFFFAOYSA-N 320.418 1.766 0 40 DDAB OCCCN(C[C@H](O)Cn1cccn1)[C@H]1CCc2ccccc21 79311604 PGHUNAUPDDGAFV-WMZOPIPTSA-N 315.417 1.616 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cccc(Br)n2)C1 72343925 SWSYGNXWXYJDEF-SECBINFHSA-N 319.224 1.983 0 40 DDAB COc1ccnc(Cn2c(=O)n(C)c3ncccc32)c1OC 72389494 FZUDPDBYJVLGIT-UHFFFAOYSA-N 300.318 1.196 0 40 DDAB CO[C@@]1(C)C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1(C)C 72931820 XHUOVUCTEGSFCL-SJCJKPOMSA-N 315.373 1.857 0 40 DDAB C[C@@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCCS2(=O)=O)c1 565549184 ONNRLBIFHFHFST-BXKDBHETSA-N 311.359 1.390 0 40 DDAB CN(C)c1ncc(CN[C@H](Cc2ccccc2)C(=O)O)cn1 218758888 RMIXOPPBUKYKMO-CQSZACIVSA-N 300.362 1.328 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3cc[nH]n3)C2)cc1 72385189 JBCCAKHAIOCIEQ-LLVKDONJSA-N 307.375 1.597 0 40 DDAB COc1cccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)c1 72227573 HZRSHQWNSKDWBC-CVEARBPZSA-N 312.325 1.839 0 40 DDAB COc1cccc(C(=O)Nc2cnc(N(C)C)nc2)c1OC 124766381 BVEKYYSMSKXMIT-UHFFFAOYSA-N 302.334 1.812 0 40 DDAB COCCCN[C@@H]1CCN(Cc2ccccc2OC)C[C@H]1O 36739951 XAEXYJLNIHQRPL-HZPDHXFCSA-N 308.422 1.257 0 40 DDAB CN1CCN(c2nccn3cnnc23)[C@H](Cc2ccccc2)C1 521396640 NRUSXVHVUOTVPR-OAHLLOKOSA-N 308.389 1.487 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cccs3)C2)n1 225400619 GPXCPNOXMXRRRV-LLVKDONJSA-N 318.402 1.898 0 40 DDAB Cc1cc(C)cc(OC[C@@H](O)CN2CCC(CC(N)=O)CC2)c1 61332726 RQRNPRTUDFFNOI-INIZCTEOSA-N 320.433 1.631 0 40 DDAB Cc1occc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O 226481079 FOVQMZQHADEOLQ-AAXDQBDMSA-N 300.314 1.430 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048420 LIEPDLUKDVOHLK-DOMZBBRYSA-N 305.382 1.194 0 40 DDAB Cn1nc(COCC2CC2)c2c1CN(C(=O)c1ccno1)CC2 96259905 ZUZQHKUYKMIWKY-UHFFFAOYSA-N 316.361 1.533 0 40 DDAB c1ccc(NCc2cn3c(n2)CN(C2CCOCC2)CC3)nc1 96197521 NMXXEYAAKMNVMY-UHFFFAOYSA-N 313.405 1.885 0 40 DDAB O=S(=O)(Nc1nncn1Cc1ccccc1)c1cccnc1 96410844 QYZMXJOKKISHKN-UHFFFAOYSA-N 315.358 1.522 0 40 DDAB Cc1n[nH]c(=S)n1CCNC(=O)CCCc1ccccn1 96437421 PWYCYXURUXIGIF-UHFFFAOYSA-N 305.407 1.783 0 40 DDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccoc2)cn1 96184608 IREQDMAHHWOITN-LSDHHAIUSA-N 300.362 1.502 0 40 DDAB COC(=O)CNC(=O)c1cc(C(C)C)nn1-c1ccccc1 95478188 HSODWGRTNZYONY-UHFFFAOYSA-N 301.346 1.899 0 40 DDAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)C(F)(F)F 97378049 ZSJXYYDIRWINDU-WDEREUQCSA-N 316.279 1.463 0 40 DDAB CS(=O)(=O)c1ncc(Br)c(NC2CCCC2)n1 95937976 DIQXLBLFLQIJML-UHFFFAOYSA-N 320.212 1.997 0 40 DDAB Cc1cccn2cc(CCNC(=O)CNC(=O)C(C)(C)C)nc12 96445604 HQUGHEMADWSELR-UHFFFAOYSA-N 316.405 1.464 0 40 DDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2CC2CCC2)O1)N1CCOCC1 96065514 WEIYHDLZBMOLSH-BZUAXINKSA-N 308.422 1.267 0 40 DDAB C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C 96476482 UPEDWRVNIYWOFI-NEPJUHHUSA-N 314.426 1.977 0 40 DDAB Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2)o1 96201110 CKYQLBFTPYVDFR-UHFFFAOYSA-N 311.345 1.685 0 40 DDAB O=C(c1cocn1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247873238 RVNJUXKSNVYEIX-GFCCVEGCSA-N 315.329 1.380 0 40 DDAB NC(=O)CN1CCC[C@H](c2nccnc2Nc2nccs2)C1 257288141 PTAHBLALQCKXJW-JTQLQIEISA-N 318.406 1.341 0 40 DDAB Cc1nc(CC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cs1 257330181 XNFPULHEXYAEKS-IIAWOOMASA-N 323.462 1.488 0 40 DDAB CC(C)C[C@@H]1OCCC[C@@H]1NCCC(=O)N1CCN(C)CC1 252479438 BFBZTVBNWZKFSU-HOTGVXAUSA-N 311.470 1.334 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc3ccccc3c(O)c12 255190223 VSSLBMFNVAXCCP-SNVBAGLBSA-N 317.370 1.958 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC2(CC1)OCCC[C@@H]2O 257282876 OVQIGOJIVIDVIL-AWEZNQCLSA-N 308.378 1.366 0 40 DDAB NC(=O)CN1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 257307470 SYSYWCFMROZNKV-LLVKDONJSA-N 318.406 1.689 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1 257282201 OSVSIEOCXBIIDE-AWEZNQCLSA-N 315.377 1.146 0 40 DDAB Cc1cc(C)c(C(=O)NC[C@H](C)N2CCOC[C@H]2C)c(O)n1 253534286 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CN(C)c1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)ccn1 69536228 LEEITRGDFZAWIT-GJZGRUSLSA-N 302.422 1.846 0 40 DDAB COc1ccc(-c2nc(CNC(=O)c3cnc(C)cn3)n[nH]2)cc1 69744080 FXAJXLLYUJAWHE-UHFFFAOYSA-N 324.344 1.509 0 40 DDAB O=C(NC1CCC(O)CC1)N[C@@H]1CCN(c2ccccc2)C1 71882518 AYYHPLCWOWCLNS-NPCAHTBFSA-N 303.406 1.868 0 40 DDAB CN1CCO[C@H](CNC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 71877188 GUCABMACNPQNMG-KGLIPLIRSA-N 318.339 1.659 0 40 DDAB O=C1NC2(CCOCC2)C(=O)N1Cc1ncc(Cl)s1 548142130 MVUQRJCJDJXYED-UHFFFAOYSA-N 301.755 1.398 0 40 DDAB CCn1c(CN(C)[C@]2(CO)CCOC2)nc2cc(F)ccc21 95469390 URUBOSNCTIIXBN-INIZCTEOSA-N 307.369 1.779 0 40 DDAB CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 95427417 FJSBSOHTOGNVHW-CBAPKCEASA-N 308.325 1.943 0 40 DDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCC1CCCCC1 1549162958 YXWILFFUOQLEQK-GVDBMIGSSA-N 320.437 1.454 0 40 DDAB CC(=O)O[C@]12C(C)=C(C)C(=O)N1c1ccccc1N2C(C)=O 5757528 RVRUFZVVXDPBIT-INIZCTEOSA-N 300.314 1.953 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)Cc2ccccc2)C1 5999288 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Cc1nccc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)n1 368287003 YRYWYEJJVWWQOD-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB CCCNC(=O)CN1CCC(NCc2cccc(OC)c2)CC1 30911814 VKCODRZKHRRPLQ-UHFFFAOYSA-N 319.449 1.775 0 40 DDAB Cc1ccc(OCCN(C)S(=O)(=O)c2cnn(C)c2)cc1 40528032 XCVUJKCUQMUEGP-UHFFFAOYSA-N 309.391 1.428 0 40 DDAB CCc1c(C(=O)NCCCC(N)=O)cnn1-c1ccc(C)cc1 40523710 ADMCLHRODCCIDL-UHFFFAOYSA-N 314.389 1.738 0 40 DDAB COc1ccc(-c2noc(CN3CCN(C)CC3)n2)cc1OC 20939324 YIXWFSLVCXZVJE-UHFFFAOYSA-N 318.377 1.501 0 40 DDAB COC(=O)c1nnc(-c2cc(F)ccc2N2CC3(COC3)C2)o1 1857794753 JLHUPTANNFWEFQ-UHFFFAOYSA-N 319.292 1.499 0 40 DDAB CC1(C)SC[C@H](C(=O)Nc2nnc(C3CC3)s2)N1C=O 115416 CVDTVJWFIGSGOC-MRVPVSSYSA-N 312.420 1.664 0 40 DDAB CCN1C[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O 46144126 PHWICLMMRSPOLR-NWDGAFQWSA-N 309.435 1.335 0 40 DDAB CC(C)(S[C@@H]1CC(=O)N(c2ccccc2)C1=O)[C@@H](N)C(=O)O 376976 FXNGREPNYOKNAY-PWSUYJOCSA-N 322.386 1.242 0 40 DDAB NC(=O)[C@H]1CCCN1CC(=O)NCCCSc1ccccc1 32751351 GDWABBHCZBMHPK-CQSZACIVSA-N 321.446 1.235 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102399288 OHPYYXULQVENLG-CWRNSKLLSA-N 313.401 1.747 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COCc1ccco1 21559334 ZVQHNYFZKFIAKX-NSHDSACASA-N 308.334 1.022 0 40 DDAB Cc1noc(C)c1CCC(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 32828544 PNKCFEJCIINGBK-RWMBFGLXSA-N 323.437 1.838 0 40 DDAB CN1N=C(C(=O)OCc2ccc(OC(F)F)cc2)CCC1=O 59893179 RGSSWNLSEYVCEQ-UHFFFAOYSA-N 312.272 1.939 0 40 DDAB COc1cccc(-c2noc(C(=O)NCc3cnn(C)c3)n2)c1 2732748 OVKGWCLDHRDBCZ-UHFFFAOYSA-N 313.317 1.409 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)[C@@H]1CCCO1 100141253 TVVSLCSISYUBKC-WHOFXGATSA-N 312.373 1.805 0 40 DDAB CCOCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 10890653 YZLNBNZNIPQVBN-UHFFFAOYSA-N 300.380 1.215 0 40 DDAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2cccc[n+]2[O-])C1 53304753 PXIATBZKJDFBJS-KBPBESRZSA-N 305.422 1.806 0 40 DDAB O=C1C[C@H](N(C(=O)Cc2ccccc2Cl)C2CC2)C(=O)N1 103736783 GJLSRVSVAINCAG-LBPRGKRZSA-N 306.749 1.289 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O)C1CC1 53864942 WQHGXMYJNLECHZ-RFAUZJTJSA-N 321.402 1.430 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCCN(C[C@H]2CCCO2)CC1 42393142 LGOGPAPFQSZNNI-CQSZACIVSA-N 318.421 1.614 0 40 DDAB C[C@H](NC(=O)CN1CCCC1=O)c1ccc(-n2ccnc2)cc1 23785664 LKZGIUYJIOHLKU-ZDUSSCGKSA-N 312.373 1.672 0 40 DDAB CC[C@H](NC)c1cccc(S(=O)(=O)Nc2cnn(C)c2)c1 37683192 DUHKXUIIQMXCGF-AWEZNQCLSA-N 308.407 1.891 0 40 DDAB COc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 55667086 COLBXYNDCYEHRQ-TZMCWYRMSA-N 304.390 1.611 0 40 DDAB Cc1cc(C(=O)CSc2nnnn2CCN(C)C)c(C)[nH]1 69975555 UOHKJXBSBKFTMD-UHFFFAOYSA-N 308.411 1.155 0 40 DDAB COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1 107058857 SXTYXPWKYVUKRK-SWLSCSKDSA-N 312.435 1.455 0 40 DDAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(C[C@@H]2CCCO2)CC1 107325708 VRCBAMKFMQXCKC-YHUYYLMFSA-N 323.506 1.846 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN([C@H]2CCC[C@@H]2O)CC1 107321036 PDBHCXKDXSEVFK-XGUBFFRZSA-N 304.390 1.441 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCNC(=O)C1 107521443 KUXXMTVYVIDGHY-STQMWFEESA-N 301.390 1.380 0 40 DDAB C[C@H](C(N)=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 26890135 JAHBUUSFXNEBNX-VXGBXAGGSA-N 318.446 1.849 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)O)c2c1 3227425 ZLCXXWQTSCMBKW-UHFFFAOYSA-N 324.358 1.257 0 40 DDAB CC(=O)N[C@@H]([C@@H]1C(=O)N(C)N=C1C)C(Cl)(Cl)Cl 101463752 MNOADYYQGIVNDM-RQJHMYQMSA-N 300.573 1.325 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COc1ccccc1F 58282545 NKWZMQGJFVWAPA-SNVBAGLBSA-N 320.276 1.675 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n(C)n1 48262213 UZUKCQJUSBHNBD-CYBMUJFWSA-N 319.409 1.595 0 40 DDAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 27794812 LEOWBNOZDFTSRB-DGCLKSJQSA-N 315.366 1.286 0 40 DDAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)nc1)S(C)(=O)=O 44951643 GRDNBWFTOBBQEW-NSHDSACASA-N 311.407 1.444 0 40 DDAB O=C(Nc1cccnc1-n1cncn1)[C@H]1Cc2ccccc2O1 58328372 XNVUGMQCTLHXGA-CQSZACIVSA-N 307.313 1.605 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccccc1F 48366129 LVQOYZWEBSGGTD-FZMZJTMJSA-N 306.341 1.444 0 40 DDAB CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 48303273 IMMCYDWUVIHMFB-OAHLLOKOSA-N 305.403 1.491 0 40 DDAB Cc1noc(Cl)c1CCC(=O)N[C@H](C(N)=O)c1ccccc1 71841306 UOONDVBWZGPESE-ZDUSSCGKSA-N 321.764 1.912 0 40 DDAB COC[C@@H](C)n1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 3403007 JUZPJXIEJMLPCO-NXEZZACHSA-N 321.402 1.570 0 40 DDAB Cn1ccc(C(=O)Nc2cc(F)ccc2-n2cccn2)cc1=O 71882794 YRYBRPYVMIHQPD-UHFFFAOYSA-N 312.304 1.962 0 40 DDAB O[C@H](CN1CCC[C@@H]1Cn1cncn1)c1ccc(F)c(F)c1 71875158 BXJISZWIGUNXGJ-IUODEOHRSA-N 308.332 1.754 0 40 DDAB O=S(=O)(Cc1nccn1CC(F)(F)F)c1ccccn1 71857358 YZKFQEKITXLZNZ-UHFFFAOYSA-N 305.281 1.814 0 40 DDAB Cc1ccc(N2CCC[C@@H](Nc3cc(C)nc4ncnn34)C2)nn1 71859465 DOYXFTFTJDBNQJ-CYBMUJFWSA-N 324.392 1.612 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ncccn2n1 8980909 MSACYCABNQFDIE-GHMZBOCLSA-N 305.407 1.911 0 40 DDAB CCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1C1CC1 14185000 OHLMPHRJKCFADQ-JQWIXIFHSA-N 324.450 1.951 0 40 DDAB O=C(Cn1cncn1)N(CCc1ccccc1)Cc1ccncc1 65609076 FKGRPFNGHNQCQB-UHFFFAOYSA-N 321.384 1.945 0 40 DDAB CNc1cc(N2CCC[C@H]2CNc2nccc(OC)n2)ncn1 71859438 JNDVEYIHEBIGOU-NSHDSACASA-N 315.381 1.398 0 40 DDAB CC[C@@H](C)N(C)CCNC(=O)Cn1c(=O)n(C)c2ccccc21 66126720 PJTZDNNKQYAQAP-CYBMUJFWSA-N 318.421 1.187 0 40 DDAB CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1COc2ccccc2C1 66657312 NPZNOHSZPIAOFQ-QWHCGFSZSA-N 320.414 1.227 0 40 DDAB CCCCn1nnnc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 6842610 KROJKAHCAIHARC-XHDPSFHLSA-N 320.397 1.474 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 4960307 QUBOVLDUJLIGII-UHFFFAOYSA-N 324.333 1.491 0 40 DDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1ccccc1Cl 22592447 LMFKIVHBNCHPQQ-GFCCVEGCSA-N 311.769 1.027 0 40 DDAB CN(CCS(=O)(=O)CCC(N)=O)[C@@H]1CCCc2ccccc21 15291629 LYFVONPQAZHAQP-OAHLLOKOSA-N 324.446 1.286 0 40 DDAB C[C@H]1CN(c2ccccc2NC(=O)c2n[nH]c(O)n2)C[C@H](C)O1 80399685 ZKUJPKADMQWWFI-UWVGGRQHSA-N 317.349 1.376 0 40 DDAB Cn1ncc(C(=O)Nc2ccnc3ccnn23)c1-n1cccc1 71911449 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Cc1cccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 84210705 SYZXJUYGRIEEPH-DLBZAZTESA-N 302.418 1.595 0 40 DDAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)O)n1C 72328111 SFYVDPSBNCGJRY-VIFPVBQESA-N 320.374 1.483 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)N(CCO)C2CC2)C1=O 84678103 ZRRRZRUUVWQKDD-GFCCVEGCSA-N 318.373 1.174 0 40 DDAB CCn1nc(C)cc1C(=O)NCCCc1nnc2n1CCCC2 95448407 ZMLHSAZSSJXMMI-UHFFFAOYSA-N 316.409 1.502 0 40 DDAB Cc1c(CS(C)(=O)=O)cccc1NC[C@H](O)COC(C)C 95454354 QUKYKPVQNKJAOX-AWEZNQCLSA-N 315.435 1.737 0 40 DDAB CC(=O)c1ccc(CNC(=O)c2ccc3c(c2)nnn3C)nc1C 95448347 KVYGVTMIBAOPCD-UHFFFAOYSA-N 323.356 1.804 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)O)CC2=O)c1C 95970393 BJLOAAABTKRGNR-YPMHNXCESA-N 318.373 1.636 0 40 DDAB Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)n[nH]1 95959086 KDXUTEKAQHFOIY-UHFFFAOYSA-N 313.357 1.977 0 40 DDAB Cc1cccc([C@@H](C)CNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 89669107 NUTDDFPPMRPOSO-ZFWWWQNUSA-N 324.446 1.975 0 40 DDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)N(C)C)[C@H]3C2)s1 306141405 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320.389 1.955 0 40 DDAB COc1ccc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 14047447 IRBAXIJTDYKLDA-JTQLQIEISA-N 320.374 1.890 0 40 DDAB O=C(CN1CCO[C@H](c2nccs2)C1)NCc1ccccc1 65594058 XMIFXZWKJTYDJV-AWEZNQCLSA-N 317.414 1.833 0 40 DDAB CS(=O)(=O)CCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 65605776 KNBZIXLLIICMTQ-ZDUSSCGKSA-N 321.801 1.897 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)Cn1ncn(C)c1=S 14209147 UJKCVNJPTCPOMT-UHFFFAOYSA-N 306.391 1.812 0 40 DDAB CNC(=O)c1ccc(CN(C)c2ncnc3c2cnn3C)cc1 14271795 PZUQYPUMSJSUOU-UHFFFAOYSA-N 310.361 1.359 0 40 DDAB CC1(C)S[C@@H](CN2C(=O)c3ccccc3C2=O)N[C@H]1C(=O)O 4664660 IWTQYSIKQIVUJY-QWRGUYRKSA-N 320.370 1.177 0 40 DDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccccc1F 66221625 IGIPKNAGFDBLQG-UHFFFAOYSA-N 317.320 1.793 0 40 DDAB CC(C)c1nc(N(C)C)nc(N2CCNC(=O)[C@@H]2C(C)C)n1 92939666 KFWADMPYOHVNGN-NSHDSACASA-N 306.414 1.022 0 40 DDAB CCC(=O)N[C@@H]1CCCN(Cn2nc(C(C)(C)C)ccc2=O)C1 66793496 ZOMXFQDHJMFPMR-CYBMUJFWSA-N 320.437 1.489 0 40 DDAB CCNC(=O)NC(=O)CN1CCO[C@@H](c2cccc(F)c2)C1 66849038 HITSAYDWTCMEDP-CYBMUJFWSA-N 309.341 1.045 0 40 DDAB COc1ccccc1C[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 66936352 IDLDOTKPJZGPMS-ZDUSSCGKSA-N 312.435 1.756 0 40 DDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 7055170 KECCTXLKCHBTBB-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB COc1ccc(CN(C(=O)[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 7116258 ZAVKFIILIAHWJX-ZDUSSCGKSA-N 323.414 1.621 0 40 DDAB COC(=O)c1ccc(CCC(=O)N[C@H](C)c2nc(C)no2)cc1 68092757 JQRADOUQUHARKG-SNVBAGLBSA-N 317.345 1.975 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)N1CC[C@H]([C@H](C)O)C1 96003354 HHEQZSPMUZDNTA-JSGCOSHPSA-N 321.373 1.506 0 40 DDAB C[C@H](Sc1nncn1N)C(=O)Nc1ccc(Cl)cc1F 7829801 CAMQYUIFUXCIDS-LURJTMIESA-N 315.761 1.904 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 68661291 PXXLOXAECWIHNB-QWRGUYRKSA-N 318.377 1.047 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CCN2C(=O)CCC2=O)c1 8249357 WIVASTZOYGTNCN-UHFFFAOYSA-N 318.329 1.259 0 40 DDAB Cc1ccc2oc(C(=O)N3CCC(C(N)=O)CC3)cc(=O)c2c1 8263916 OFNYHRBTAIRYFF-UHFFFAOYSA-N 314.341 1.439 0 40 DDAB Cc1ccccc1-c1nnn(CC(=O)NC(=O)NC(C)(C)C)n1 9503933 XGETWDXEBJDVIJ-UHFFFAOYSA-N 316.365 1.273 0 40 DDAB CCOc1nnc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)s1 71880557 AIAQBZIHSDBJEA-OLZOCXBDSA-N 324.450 1.912 0 40 DDAB CCc1ncncc1C(=O)N1CCCN(c2nccs2)CC1 71830863 IICUQEUOACZDQD-UHFFFAOYSA-N 317.418 1.848 0 40 DDAB COc1ccc(C)cc1NC(=O)CSCCS(C)(=O)=O 71884090 GJZPANSLUBKRKG-UHFFFAOYSA-N 317.432 1.720 0 40 DDAB C[C@@H](O)CN1CCN(Cc2ccn(-c3ccccc3)n2)CC1 71847288 MZIALDXFXFTLNU-OAHLLOKOSA-N 300.406 1.371 0 40 DDAB C[C@@H](CNC(=O)N(C)Cc1ccccc1)N1CCOC[C@@H]1C 72281348 HOMMYRCFPNIKIC-GJZGRUSLSA-N 305.422 1.937 0 40 DDAB CC(C)(C)C(=O)N1CCN(C(=O)Nc2ccncc2F)CC1 97135895 SKVKQGVBDVMPOK-UHFFFAOYSA-N 308.357 1.943 0 40 DDAB O=C(COCCOc1ccccc1)N[C@@H]1CCc2nccn2C1 97197878 ASFZUKDIZBLFPB-CQSZACIVSA-N 315.373 1.410 0 40 DDAB O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(Cl)c1 95349391 FPNSBRRMUPQWCD-ZDUSSCGKSA-N 313.785 1.155 0 40 DDAB C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)[C@H]1CCCO1 84636574 YQYUMYRBTQGECM-UONOGXRCSA-N 311.426 1.646 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)c1cc2c([nH]c1=O)CCC2 84692292 YDSHIQFTFKCBPZ-GFCCVEGCSA-N 303.406 1.468 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)CCc1cnn(C)c1)C2 77310272 ZXAWJTAYWLKNOM-CQSZACIVSA-N 315.373 1.481 0 40 DDAB Cc1nc(CN(C)S(=O)(=O)c2cnc(Cl)c(C)c2)no1 95465326 CVOKLHIQXGJQKE-UHFFFAOYSA-N 316.770 1.556 0 40 DDAB O=C(O)CN(C(=O)CCCNC(=O)c1ccc(F)cc1)C1CC1 95424479 UUVVMNFVZJHBRF-UHFFFAOYSA-N 322.336 1.411 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)Cc3cnn(C)c3)C2)no1 78771307 MOAGHXGKDHCLBF-AWEZNQCLSA-N 304.398 1.208 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)no1 78881218 CHHZNUDBWURKNJ-AGIUHOORSA-N 315.377 1.833 0 40 DDAB O=C(NS(=O)(=O)N1CCCCC1)C1CCC(F)(F)CC1 95976178 NYKQMTVEFHNYSC-UHFFFAOYSA-N 310.366 1.659 0 40 DDAB O=C(CNC(=O)N1CCc2ccc(O)cc2C1)N1CCCC1 79071484 XZDKRHWENAMJMQ-UHFFFAOYSA-N 303.362 1.082 0 40 DDAB CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)COC)CC1 79116042 KZYYGWHBVBUKGC-CYBMUJFWSA-N 313.442 1.749 0 40 DDAB O=C(NCc1ccnc2ccccc12)N[C@H]1CC(=O)N(C2CC2)C1 89866671 MCTBOCYPDBUZDQ-ZDUSSCGKSA-N 324.384 1.797 0 40 DDAB C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cn(C)nn2)CC1 89904997 DISPVHMNMGISLE-LBPRGKRZSA-N 321.375 1.972 0 40 DDAB CCOC(=O)[C@H]1Sc2nc3ccccc3c(=O)n2N=C1C 67334657 CNQVEYKDMXJVNJ-NSHDSACASA-N 303.343 1.658 0 40 DDAB Cn1ncc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c(Cl)c1=O 110660059 PMDZGBNVNQPHHV-AVGNSLFASA-N 322.840 1.744 0 40 DDAB CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@@]3(C)CO)cc21 546821952 OKFXIXOWECOBDM-KRWDZBQOSA-N 302.374 1.903 0 40 DDAB CCOC(=O)Cc1cc(NC(C)=O)c(CC(=O)OCC)cc1N 3845563 UXHKKHDMYDSNQX-UHFFFAOYSA-N 322.361 1.438 0 40 DDAB biogenic C[C@@]1(C(=O)N2CCOCC2)CN(Cc2ccsc2)CCO1 72379732 WYCWLJKHHZLLGQ-HNNXBMFYSA-N 310.419 1.198 0 40 DDAB CCOC[C@@H](O)CN1CCN([C@@H](C)c2cccc(OC)c2)CC1 79099916 QVSBGGJIOTXFKR-RDJZCZTQSA-N 322.449 1.771 0 40 DDAB Cn1c(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)cccc1=O 558655135 XFBDRLPHDULUGC-GOSISDBHSA-N 312.369 1.162 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@H]1CCCO1 72406386 WSWBMINBESPUJH-CQSZACIVSA-N 313.357 1.206 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)CCC[C@@H]1C 73972569 JKDFTIQNMVDZBP-OLZOCXBDSA-N 304.456 1.695 0 40 DDAB CCCOc1ncccc1CNC(=O)[C@@H]1CCc2cncn2C1 561190312 TWSMEAYRZPWRLS-CQSZACIVSA-N 314.389 1.946 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CO)C(=O)O 218413882 YTBYPGRVPSEQLK-NQBHXWOUSA-N 318.778 1.304 0 40 DDAB COc1cccc([C@@H](CNC(=O)Nc2cn[nH]c2)N(C)C)c1 49798567 VJQKKLKVXNYOBG-CQSZACIVSA-N 303.366 1.843 0 40 DDAB C[C@H](O)C[C@@H]1COCCN1C(=O)c1cnc2ccccc2n1 185969797 FGJPPEQHIFHXTH-NWDGAFQWSA-N 301.346 1.242 0 40 DDAB COCC(=O)N1CC(c2cc(Nc3nccs3)nc(C)n2)C1 72382721 DLAKGVAGFINWGV-UHFFFAOYSA-N 319.390 1.557 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2cnccn2)c1 72364522 URUSRGBPQNGWAH-GFCCVEGCSA-N 307.379 1.126 0 40 DDAB Cc1cc(N2CCC(NC(=O)c3c(C)nn(C)c3C)CC2)n[nH]1 225751347 ZZDQCCIUHUIROB-UHFFFAOYSA-N 316.409 1.467 0 40 DDAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@H]1CCCO1 226852857 OEIMIXRFHDGQRY-DZGCQCFKSA-N 315.373 1.935 0 40 DDAB O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1CC[S@@](=O)C1 571830615 BSFMJEMLQPLNTK-XUSGNXJCSA-N 307.419 1.324 0 40 DDAB COC(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 48008754 LVJQXHPOIHNYOB-UHFFFAOYSA-N 305.334 1.217 0 40 DDAB CC(C)c1nccc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 528118558 QERPYPCWLCRQJT-UHFFFAOYSA-N 310.423 1.214 0 40 DDAB O=C1NCCCC[C@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 49980343 PAOLYVIPCCEDKM-SSDOTTSWSA-N 314.271 1.224 0 40 DDAB COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 195531908 NKBXRJUNSMHHHK-TUKIKUTGSA-N 313.357 1.859 0 40 DDAB O=C(c1n[nH]c2c1CCN(Cc1nccs1)C2)N1CCCC1 96058578 DKRITKWYJRHGOW-UHFFFAOYSA-N 317.418 1.661 0 40 DDAB O=C(O)CN1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96224755 VLWPASSJUVZQAF-QGZVFWFLSA-N 320.364 1.725 0 40 DDAB O=C(NCc1nccn1CCc1ccccc1)c1ccc(=O)[nH]c1 96459366 KOXAGLUYOLTYGD-UHFFFAOYSA-N 322.368 1.744 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1CCCO1)C2 96084753 BIYCFBIXGWCZGB-CYBMUJFWSA-N 321.425 1.030 0 40 DDAB CNC(=O)NC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 96444951 CSKCDYVVXVOPJP-CQSZACIVSA-N 304.394 1.043 0 40 DDAB O=C(c1cccnc1)N1CCC2(CC1)CC(N1CCOCC1)C2 96159243 ZZALSRPGPNKFHB-UHFFFAOYSA-N 315.417 1.799 0 40 DDAB COC[C@H](O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 96495155 OYBQWONSNVINBX-OAHLLOKOSA-N 317.389 1.535 0 40 DDAB c1cnc(N2CCN(CCCN[C@H]3CCCSC3)CC2)nc1 97370964 NOVFONWWTPDSEW-HNNXBMFYSA-N 321.494 1.474 0 40 DDAB Cc1ccccc1NC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N(C)C)C1 96252816 BITREHJFXKXTGQ-VNHYZAJKSA-N 317.389 1.704 0 40 DDAB CCC(=O)N1CC[C@]2(COCc3c(C)nc(N(C)C)nc32)C1 96244454 QLXBBHPRDRXLER-MRXNPFEDSA-N 304.394 1.261 0 40 DDAB Cc1ccc(CN2CCO[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]32)o1 96248798 NFPVDELTEKSVBL-CVEARBPZSA-N 315.373 1.642 0 40 DDAB O=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(c3nncs3)C2)C1 96071640 LDJCZBBKUUCUDK-IUODEOHRSA-N 322.434 1.394 0 40 DDAB O=C(c1ccncc1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058665 MTYUAHBPRBVECU-CQSZACIVSA-N 324.384 1.617 0 40 DDAB CCS(=O)(=O)[C@H](CO)C(=O)c1ccc(Br)cc1 96518791 JAHCKSQLSQWTBQ-SNVBAGLBSA-N 321.192 1.427 0 40 DDAB COCCN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 96041049 UMTIBVKARGHIRL-QEJZJMRPSA-N 305.378 1.146 0 40 DDAB COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3C)C[C@@H]21 248169142 URDPNXANVAFKGB-BRWVUGGUSA-N 318.417 1.204 0 40 DDAB Cc1cc(N2CCC(NC(=O)c3ccc(O)nc3)CC2)n[nH]1 240067778 SBAFNBBATFOQFF-UHFFFAOYSA-N 301.350 1.218 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)C1 252581681 LOSBKNPCLMGGIA-MBJXGIAVSA-N 300.424 1.072 0 40 DDAB O=S(=O)(C1CCCC1)N1CCC[C@H](c2ccnc(O)n2)C1 257237739 HHXYTGQTMAALRX-NSHDSACASA-N 311.407 1.634 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cscn3)CCO2)n1 257340227 ZFDIKFSLWDYMNE-NSHDSACASA-N 306.347 1.161 0 40 DDAB CC(=O)N1CCCN(Cc2cnc([C@@H]3CCCCO3)nc2)CC1 257299270 RPJKQGUXQVYVSJ-INIZCTEOSA-N 318.421 1.772 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257229058 FWNKHKRWZXJOQP-RDJZCZTQSA-N 321.421 1.782 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCO[C@H](c2ccncc2)C1 257234414 GTKMNOMGIWIVGF-INIZCTEOSA-N 323.356 1.426 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cnc(O)c(Cl)c3)CCO2)n1 257337680 YTXVFQRTJAKDME-NSHDSACASA-N 322.752 1.686 0 40 DDAB CNC(=O)c1cn[nH]c1[C@H]1CCN(Cc2ccccc2F)C1 257250420 JMLBGJKMKSDDQB-LBPRGKRZSA-N 302.353 1.898 0 40 DDAB Cc1cc(C)cc(CS(=O)(=O)NC(=O)c2ccnn2C)c1 252503094 UYFSBGXLGKELFL-UHFFFAOYSA-N 307.375 1.297 0 40 DDAB CS(=O)(=O)/N=C(\O)[C@H](c1ccccc1)N1CCCCC1=O 73086962 OUGFDECSJIVVRC-ZDUSSCGKSA-N 310.375 1.656 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc3ncccc3c2)CCO1 257263662 LQYAZUAMRUSVAY-KRWDZBQOSA-N 313.357 1.212 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 257247336 IYNOVTJGFHKWQL-LLVKDONJSA-N 321.406 1.081 0 40 DDAB OC1(CN2CCCC[C@@H]2c2ccn3nccc3n2)CCOCC1 257314228 UVXZRMXHBONJTF-OAHLLOKOSA-N 316.405 1.798 0 40 DDAB COCCN1CCC(c2cnc(N3C(=O)OC[C@H]3C)cn2)CC1 257330312 XNVYPCSIVOGDLQ-GFCCVEGCSA-N 320.393 1.648 0 40 DDAB NC(=O)C1CCN(C(=O)c2cccnc2-c2cncs2)CC1 257280457 OKYTWHIPDPBSJH-UHFFFAOYSA-N 316.386 1.543 0 40 DDAB CCO[C@@H](C)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 282874260 PHMXLDMWPYJUQM-JTQLQIEISA-N 318.333 1.417 0 40 DDAB CN1CCC[C@@H](NC(=O)N2CC(=O)Nc3ccccc3C2)C1 654395210 FPRYSSWTTSNBEO-CYBMUJFWSA-N 302.378 1.245 0 40 DDAB COc1nc(CNC(=O)Nc2cc(C)cc(C)c2)nc(OC)n1 575606677 KLJXINYLYXEVPR-UHFFFAOYSA-N 317.349 1.827 0 40 DDAB C[C@@H]1C[C@@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn21 663126453 UWKYFWLBBYPAPV-BXKDBHETSA-N 316.317 1.177 0 40 DDAB Cc1cc(CC(=O)N2CC[C@](O)(COc3ccccc3)C2)on1 585279290 YZMSCHWVDPYSIR-QGZVFWFLSA-N 316.357 1.568 0 40 DDAB Cc1ccccc1CC(=O)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093321 PFOXMHGGSAYWTO-INIZCTEOSA-N 322.355 1.911 0 40 DDAB Cc1ccccc1CN1CCN(c2ncccc2C(N)=O)CC1 97550210 VMAPVTSPJWFVSE-UHFFFAOYSA-N 310.401 1.811 0 40 DDAB O=C(O)c1c[nH]c2c(I)cccc2c1=O 35731172 LWJIHHQENNRCSH-UHFFFAOYSA-N 315.066 1.831 0 40 DDAB CCCCN(CCCC)CCOCCOCCOCCO 5419532 OWSKJHGPVFJIIK-UHFFFAOYSA-N 305.459 1.931 0 40 DDAB CCN(CC)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580437 GGQVACBALBBAQV-UHFFFAOYSA-N 310.419 1.881 0 40 DDAB C[C@@H]1CCC[C@@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 15274349 TXFYYWHRTDECTR-MWLCHTKSSA-N 308.330 1.690 0 40 DDAB biogenic,in-vitro CCN1C[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O 19526988 BULQQTVCGOAJKV-CYBMUJFWSA-N 313.361 1.133 0 40 DDAB O=C(Cn1ccnc1[C@@H](O)c1ccccc1)NC[C@@H]1CCCO1 154843796 IACVTPGTEMPCFZ-HOCLYGCPSA-N 315.373 1.260 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CCCO1 5325104 RGYZKZNFKPHHSX-JTQLQIEISA-N 304.268 1.162 0 40 DDAB O=C(NCc1csc2ncnn12)c1ncnc2c1CCCC2 1888870190 VGDKVCJPNZQFED-UHFFFAOYSA-N 314.374 1.390 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C 25329420 NGPIKIUQYUYXQS-ZIAGYGMSSA-N 311.451 1.628 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)n2cncn2)c1 29757576 XZHMZKMJWZCMQE-WDEREUQCSA-N 304.350 1.734 0 40 DDAB Cn1cccc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)c1=O 238945742 WKNGMBTTYFCQOD-HNNXBMFYSA-N 323.356 1.148 0 40 DDAB Cc1ccc(NC(=O)CN2CCC(C(=O)NC3CC3)CC2)cc1 9069347 KTFOXGIDSMPXFU-UHFFFAOYSA-N 315.417 1.924 0 40 DDAB CN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccon2)cc1 11027391 OHYYWFKMBYRRBL-UHFFFAOYSA-N 316.361 1.428 0 40 DDAB CN(C)S(=O)(=O)N1CCS[C@@H](c2ccccc2)CC1 208043824 WLQXUQCGJILENI-CYBMUJFWSA-N 300.449 1.973 0 40 DDAB CCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1 13116013 ICMFAXCJZSLDPQ-LCYFTJDESA-N 301.371 1.878 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)NCc1nnc2ccccn12 40093825 APAJMTOQWSNODN-QMMMGPOBSA-N 302.256 1.313 0 40 DDAB O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)no1 20478996 HEJBKWPJRFJYML-UHFFFAOYSA-N 319.336 1.543 0 40 DDAB NC(=O)CC1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 40542602 XOISRCNLTIIKRX-UHFFFAOYSA-N 324.764 1.796 0 40 DDAB Cc1ccccc1CN(C)C(=O)c1csc(S(N)(=O)=O)c1 31970690 YFZHUCZEGMCMNN-UHFFFAOYSA-N 324.427 1.976 0 40 DDAB O=C(O)CCc1cc(C(=O)O)c(CCC(=O)O)cc1C(=O)O 277963 UBFNFMFSHWYMCX-UHFFFAOYSA-N 310.258 1.117 0 40 DDAB biogenic CC[C@H](CNC(=O)c1csc(NC(C)=O)n1)N1CCCC1 32661588 DVCINQUMHQOAES-LLVKDONJSA-N 310.423 1.706 0 40 DDAB O=C(N[C@@H](Cc1ccccc1Br)C(=O)O)C1CC1 59962018 IBACFQBKRKYOLG-NSHDSACASA-N 312.163 1.971 0 40 DDAB O=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2 211255 XJSCOBNKOHMSSL-UHFFFAOYSA-N 321.789 1.932 0 40 DDAB CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 60344533 SLHNJXSJADYLKN-GFCCVEGCSA-N 310.394 1.045 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(OC(F)F)cc1 8140894 HKUBKCMQVSDQRC-UHFFFAOYSA-N 312.272 1.766 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)CCc2cccs2)CC1 32771010 VODAKUGOLHWKRH-UHFFFAOYSA-N 316.448 1.221 0 40 DDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 2206266 RYBHMPAUQBHUNT-XJIUQZFPSA-N 317.341 1.515 0 40 DDAB Cc1cccc2nc(CN[C@H](CO)c3ccccc3)cc(=O)n12 97081904 MAFCWZDUWWKZSM-MRXNPFEDSA-N 309.369 1.826 0 40 DDAB CCNC(=O)COC(=O)c1ccccc1SCC(=O)NCC 3472766 OYXVLUBBACABHX-UHFFFAOYSA-N 324.402 1.208 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 102607457 BFTMYNDMAXSOPF-YVCQSUGNSA-N 316.401 1.298 0 40 DDAB O=C(NCC(=O)N1CCOCC12CCCC2)c1cccc(F)c1 97083305 SAJWPUZJFLTIQA-UHFFFAOYSA-N 320.364 1.727 0 40 DDAB COCCN1CCN(Cc2c[nH]nc2-c2cccs2)CC1=O 97051982 FHDJAJPALWLSPF-UHFFFAOYSA-N 320.418 1.429 0 40 DDAB Cc1cccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)c1 108525062 VRFWXEQZPOAYQX-UHFFFAOYSA-N 308.447 1.899 0 40 DDAB COc1ccc(O[C@H](C)C(=O)N2CCC(C(=O)O)CC2)cc1 41539051 SFTQCYDQEXJAPE-LLVKDONJSA-N 307.346 1.786 0 40 DDAB C[C@H]1CN(C(=O)CCCn2c(=O)oc3ccccc32)CCO1 22131271 FKFWCDDIOJXHNA-LBPRGKRZSA-N 304.346 1.622 0 40 DDAB Cc1ccc(C(=O)NCCn2ncc3c2c(C)nn3C)s1 57279813 JPJOUOOYIOLQGX-UHFFFAOYSA-N 303.391 1.878 0 40 DDAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NC(C)(C)C 16795466 ZGZLPMHGMMGOMJ-SECBINFHSA-N 307.350 1.637 0 40 DDAB COc1cc(OC)cc(C(=O)NCCCCN2CCOCC2)c1 41568724 QCBZWBWCAUEWCO-UHFFFAOYSA-N 322.405 1.546 0 40 DDAB CCN(C(=O)CN1CCC(C(=O)NC)CC1)C1=CCCCC1 24838275 NWJNZIGSKCJQTC-UHFFFAOYSA-N 307.438 1.751 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2ncccc2c1=O 25051382 LDQAOPFDBUACHQ-LBPRGKRZSA-N 320.352 1.769 0 40 DDAB COc1ccccc1CN1CCC2(CC(NS(C)(=O)=O)C2)C1 108528011 VOKALDGNMIECAS-UHFFFAOYSA-N 324.446 1.599 0 40 DDAB C[C@H](O)CN1CCN(Cc2cccc3c2OCCO3)C[C@@H]1C 106841005 FLZTYQUQFCFYGV-KBPBESRZSA-N 306.406 1.345 0 40 DDAB CC(C)CCO[C@H](C)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606231 MOMIWFZCRAJYER-PMPSAXMXSA-N 312.454 1.495 0 40 DDAB CC(=O)N1CCO[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 108524468 OBENYPQIIBJXPI-HOTGVXAUSA-N 302.374 1.457 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccco2)CC1 25260096 VZVDWFREKYOVHJ-LLVKDONJSA-N 314.407 1.519 0 40 DDAB CC(C)N1C[C@@H](NS(=O)(=O)c2cnn(C(C)C)c2)[C@H](C)C1 107059103 WRQQPDNYFFEPGK-TZMCWYRMSA-N 314.455 1.471 0 40 DDAB CSCCCN1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 107142007 KXMYPEYMJDTHJJ-GDBMZVCRSA-N 313.511 1.614 0 40 DDAB Cc1cc(NC(=O)NC[C@H]2CCCO2)n(-c2ccccn2)n1 43786739 PPUJTZOZBYMTHO-GFCCVEGCSA-N 301.350 1.876 0 40 DDAB Cc1cc(NC(=O)CNc2ccc(-n3cnnn3)c(C)c2)no1 12545380 BSJGPZXXUMPIFG-UHFFFAOYSA-N 313.321 1.318 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 47861308 ILWYVLUQKCSMRK-LLVKDONJSA-N 316.279 1.604 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)cc1 1892726 PEMZONSHXNFXHW-UHFFFAOYSA-N 310.309 1.863 0 40 DDAB COCCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 27936750 VYDFEVGKNLXUNE-UHFFFAOYSA-N 305.300 1.932 0 40 DDAB O=C(C[C@@H](NCc1ccccc1)C(=O)O)NCc1ccccc1 2013241 UTEIYYMJOOFGCY-MRXNPFEDSA-N 312.369 1.936 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)CC(=O)NC2CCCC2)cc1 58018367 SFUUCEAORWXYLM-UHFFFAOYSA-N 309.387 1.722 0 40 DDAB Cc1nc(CCNC(=O)[C@H](C)NC(=O)C2CCCC2)cs1 58156950 WRWQIDZOXUCGCP-JTQLQIEISA-N 309.435 1.805 0 40 DDAB CCc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1 76185105 ODQXMIBERAAXPP-UHFFFAOYSA-N 323.466 1.233 0 40 DDAB CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C)nn1C 58293726 XDTJHQGONIMPET-UHFFFAOYSA-N 322.390 1.742 0 40 DDAB O=C(NCc1ccccn1)NC[C@H](O)COc1cccc(F)c1 44955254 SFGVSIUXSLXNMU-AWEZNQCLSA-N 319.336 1.460 0 40 DDAB C[C@@H]1COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 44912289 SRTIBHVLJNAPIZ-SNVBAGLBSA-N 307.375 1.978 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2cc3c(s2)CCC3)n1 11322328 ADYGYFRYEZKUFG-UHFFFAOYSA-N 319.390 1.427 0 40 DDAB CCOC(=O)CCNC(=O)Nc1ccc(Br)cn1 2571048 OXJHLVDEBSAXMG-UHFFFAOYSA-N 316.155 1.919 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(C3CC3)s1)CS2 12885813 OPDMNOHYSSDYAH-ISVAXAHUSA-N 324.431 1.808 0 40 DDAB CC(C)C(=O)NCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 12982943 ZXLKUVDTJCBVRH-NSHDSACASA-N 321.377 1.548 0 40 DDAB Cc1ccnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 69485803 UWFUFNDGSNXNEO-UHFFFAOYSA-N 316.361 1.583 0 40 DDAB COc1ccc([C@@H]2C[C@H]2C(=O)NCCN2CCN(C)CC2)cc1 69415042 KXKPQRDZEQLXAX-DLBZAZTESA-N 317.433 1.162 0 40 DDAB O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)NC1CCCC1 13689888 PTROSUJSELWOKL-UHFFFAOYSA-N 313.361 1.324 0 40 DDAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 6175510 YONGAIVTZAFQJW-LBPRGKRZSA-N 315.373 1.728 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN(C)C)S2 6216464 YHDSSCAMKRDFDJ-CQSZACIVSA-N 321.446 1.866 0 40 DDAB Cn1cc(-c2nc(CN3CCc4c(ncn4C)C3)cs2)cn1 69569642 YYLHCAKEANFVMX-UHFFFAOYSA-N 314.418 1.835 0 40 DDAB CN(C)C1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 65553284 LSBQQPYDSMEQIN-UHFFFAOYSA-N 300.362 1.089 0 40 DDAB NC(=O)c1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1 65593965 MKGJNLMKPIRODB-CYBMUJFWSA-N 303.387 1.816 0 40 DDAB CN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 14254701 HMGQMXKKUSOZFT-CQSZACIVSA-N 319.386 1.131 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCO2 5484667 HLYWDWBDQSVORM-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB CC[C@H](OC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69655814 UTPVPRXTEDFBJY-HOTGVXAUSA-N 306.406 1.289 0 40 DDAB Cc1nsc(N)c1C(=O)OCC(=O)Nc1ccc(F)cc1 6586146 JNUVNYIWWGVBOM-UHFFFAOYSA-N 309.322 1.968 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCC2=O)c(F)c1 69706464 FFEKYAPTUWYMSV-NSHDSACASA-N 314.382 1.423 0 40 DDAB CCOCCN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 7470917 NKHWGLXOBUCGFD-MRXNPFEDSA-N 320.345 1.261 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1cccc(-n2cnnc2)c1 71285013 XDLOQOWVSCXQGP-UHFFFAOYSA-N 310.273 1.008 0 40 DDAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)oc2ccccc12 7633593 RRAREJIEAKEAPG-SNVBAGLBSA-N 316.313 1.838 0 40 DDAB O=C(CCc1cccs1)N1CCN(c2ncccn2)CC1 7777823 SKONBWUCNAUPMT-UHFFFAOYSA-N 302.403 1.820 0 40 DDAB COc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1OC 16129722 SBEBEHBKVFDVJU-UHFFFAOYSA-N 311.363 1.845 0 40 DDAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1OCCc2ccccc21 97107583 XVHYFWRTOJCLNY-MRXNPFEDSA-N 323.352 1.786 0 40 DDAB Cc1ccccc1CN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 72300712 OVCAPQVPRJVZPO-WMLDXEAASA-N 301.390 1.805 0 40 DDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCNC(=O)C1 71819678 RBPYHJVQZAAJMY-CQSZACIVSA-N 312.316 1.327 0 40 DDAB Cc1cc(NC(=O)CCN2CCO[C@@H](c3nccs3)C2)no1 97203746 KFCVRMFLUGOROC-LLVKDONJSA-N 322.390 1.842 0 40 DDAB Nc1ccc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 97375582 YZZBGCVESLANTL-JTQLQIEISA-N 323.340 1.184 0 40 DDAB Nc1cnnc(N2CCN(Cc3ccccn3)CC2)c1Cl 84610042 ZXZHEBWICOXXJV-UHFFFAOYSA-N 304.785 1.429 0 40 DDAB CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1n[nH]c(=O)[nH]1 84774496 BPWDXZGVYSQNAM-UHFFFAOYSA-N 322.796 1.679 0 40 DDAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccncc2F)cn1 95445990 YICAWKYTIXSYPP-GFCCVEGCSA-N 316.336 1.832 0 40 DDAB C[C@@H](NC(=O)NCCc1cnn(C)c1)[C@@H]1COc2ccccc21 95437516 FYZHFTKOSGJURJ-DOMZBBRYSA-N 314.389 1.827 0 40 DDAB COc1ncc(Cl)c(N2CCN(Cc3nc(C)no3)CC2)n1 95415899 SSHHWSJEPLEIBF-UHFFFAOYSA-N 324.772 1.152 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)N[C@H]2CC[S@@](=O)C2)s1 78963621 YPHYXLFTNUIHIU-IIYDVTGLSA-N 309.359 1.909 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCCN(C(C)(C)C)CC1 95956804 ZPVYYTQXOVRVLZ-UHFFFAOYSA-N 315.421 1.984 0 40 DDAB CCOc1ccnc(N2CCCN(CCn3cccn3)CC2)n1 89272210 FUKCAFGUQNXWMD-UHFFFAOYSA-N 316.409 1.284 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccoc1 75121623 YSHJRWUHYVOCHC-UHFFFAOYSA-N 324.340 1.592 0 40 DDAB CCC[C@@H](NC(C)=O)C(=O)Nc1nncn1Cc1ccccc1 75140700 CDJQIAKQFUCQGM-CQSZACIVSA-N 315.377 1.570 0 40 DDAB COc1ncccc1CNC(=O)NCc1c(C)cc(C)[nH]c1=O 75111113 LNXCUJJEISSFFK-UHFFFAOYSA-N 316.361 1.395 0 40 DDAB CN(C)c1nc(CNc2cc(C(N)=O)c(F)cc2F)ns1 89660346 VAKPARUCHBVUQQ-UHFFFAOYSA-N 313.333 1.593 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C(N)=O)c1ccccc1 89948735 YFRYGLIADYVLDL-KBMXLJTQSA-N 303.406 1.450 0 40 DDAB CCOc1cccc2c1OCC(C(=O)NCCCC(=O)O)=C2 75572849 RSDJXNRSSWUREC-UHFFFAOYSA-N 305.330 1.842 0 40 DDAB CCOC(=O)CCCc1sc(N)nc1C1=NC(=O)N=C1C 409418822 BSYWJTYZQZZKRM-UHFFFAOYSA-N 308.363 1.995 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 65404062 IGLQNVKBIMNLLX-ZDUSSCGKSA-N 319.405 1.116 0 40 DDAB CC(=O)Nc1cccc(NC(=O)c2nn(C)cc2C(=O)O)c1 36617533 DLBGUHBROKVFOB-UHFFFAOYSA-N 302.290 1.329 0 40 DDAB CC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc(CO)o1)CCO2 306133363 MJNPVEWDZPALFJ-SJORKVTESA-N 322.405 1.422 0 40 DDAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)[C@H]1CCCO1 71195895 JWWWHOKDCUCAJP-UKRRQHHQSA-N 312.373 1.940 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(Cc3cnn(C)c3C)C[C@H]21 72336060 UBVFMCVVSTVSDJ-DOMZBBRYSA-N 313.405 1.282 0 40 DDAB CCOC(=O)[C@]1(N)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 217999330 PTPVZZCGAVKKQS-PWSUYJOCSA-N 303.767 1.147 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CCCc2ccccn2)C1 76378028 HHUBEWYBUPSLQB-HUUCEWRRSA-N 324.446 1.876 0 40 DDAB Cc1ccccc1NC(=O)c1nn(C)c2c1CS(=O)(=O)CC2 41070316 PKCOMRMAAVQTOC-UHFFFAOYSA-N 319.386 1.452 0 40 DDAB O=C(c1ccc(NC2CC2)nc1)N1CCN(c2ncc[nH]2)CC1 567365462 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Cc1nn(C(C)C)c2cnn(CC(=O)N3CCSCC3)c12 46087557 KAHSRDPWERWJDN-UHFFFAOYSA-N 307.423 1.698 0 40 DDAB CC1(C)CN(c2ccc(C(F)(F)F)cn2)CCN1CCO 195571731 JHXKHBDQFMPOCU-UHFFFAOYSA-N 303.328 1.993 0 40 DDAB Cn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)N1CCCC1)C2 96060261 ZMCDCZZALMXFRY-CQSZACIVSA-N 318.421 1.962 0 40 DDAB N[C@@H](Cc1ccc(CC(=O)O)cc1)C(=O)OCc1ccccc1 147747328 WHIFKDHRRQLKIR-INIZCTEOSA-N 313.353 1.927 0 40 DDAB O=C(NCCc1nnc2n1CCC2)Nc1cccnc1Cl 96444421 ZZWGFTUBOKVQSO-UHFFFAOYSA-N 306.757 1.637 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@H]2C 96109538 HZWDMXWSEOMPOP-NSHDSACASA-N 301.350 1.345 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@]12CCN(c1ncc(F)cn1)C2 96159191 IGLQBPKCNHFZPW-CJNGLKHVSA-N 313.336 1.866 0 40 DDAB O=C1CO[C@@H]2CN(Cc3ccco3)C[C@H]2N1Cc1ccncc1 96054264 UXDUACWBFPVMTP-HZPDHXFCSA-N 313.357 1.286 0 40 DDAB CC(C)[C@@H](C(=O)NC[C@@](C)(O)c1cnn(C)c1)N1CCCCC1 96450403 TWGUULUSSRAFST-DOTOQJQBSA-N 322.453 1.254 0 40 DDAB CCc1ccc(CN2CCC3(CC2)CN(CCOC)C3=O)o1 96202834 XVBXCAGERFYYOD-UHFFFAOYSA-N 306.406 1.913 0 40 DDAB CC(C)(C)OC(=O)NOC(ONC(=O)OC(C)(C)C)C(=O)O 98072748 ZIYWXLQWLQAXNJ-UHFFFAOYSA-N 322.314 1.310 0 40 DDAB Cn1cc(CN2CCC[C@]3(COCCN(CC4CC4)C3)C2)cn1 96049474 BVNWNWMDESXAAI-SFHVURJKSA-N 318.465 1.745 0 40 DDAB c1ccc(NCc2cn3c(n2)CN(C[C@H]2CCOC2)CC3)nc1 96197517 MRPQLGJVFUWGBX-CQSZACIVSA-N 313.405 1.742 0 40 DDAB CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)c1ccc(Cl)cc1 97233801 VCJPWLVWZFJCOG-NSHDSACASA-N 322.796 1.545 0 40 DDAB CC(C)N(CCCNc1ncc(Cl)cn1)S(C)(=O)=O 97212830 MHPBYAIRHLHSKG-UHFFFAOYSA-N 306.819 1.602 0 40 DDAB CC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H](CCC(C)C)C1 96486927 KFQNHSBYUKYSCC-CVEARBPZSA-N 310.438 1.909 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccco2)O1 96057331 VTZLQEQYQZBUTH-KFWWJZLASA-N 308.378 1.164 0 40 DDAB CN(C)C[C@H]1CN(C(=O)c2cccs2)Cc2nccn2C1 96059185 RXRDMKKZJJITEZ-GFCCVEGCSA-N 304.419 1.778 0 40 DDAB COc1cc(F)c(NC(=O)N[C@H]2CCc3ncnn3C2)cc1F 97101230 HNMJGEPWARGURF-QMMMGPOBSA-N 323.303 1.701 0 40 DDAB C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc2cc(F)ccc2n1C 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309.377 1.272 0 40 DDAB Cn1nnnc1COc1cccc(C(=O)N2CCCCCC2)c1 96101357 HMGLSRBWHIKKQB-UHFFFAOYSA-N 315.377 1.805 0 40 DDAB Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)c2c1 95957990 REVINNWQLGLALF-LLVKDONJSA-N 310.361 1.516 0 40 DDAB CC(=O)N1CC[C@@]2(CN(C)C[C@@H]2COCc2cccnc2)C1 96217143 AKPLVFIKEVEVMT-IAGOWNOFSA-N 303.406 1.398 0 40 DDAB CCS(=O)(=O)[C@H](CO)C(=O)c1ccc(Cl)cc1Cl 96518817 KWWBWMOVOORRPQ-SNVBAGLBSA-N 311.186 1.972 0 40 DDAB O=C(NCC(=O)N1CCCc2ccccc21)c1cscn1 96403905 NWQUTALSSUJHLD-UHFFFAOYSA-N 301.371 1.852 0 40 DDAB CC(=O)c1ccc(NC(=O)C2=NO[C@]3(CCCNC3)C2)cc1 96088491 ZOJWKXDQUQUDHU-MRXNPFEDSA-N 301.346 1.726 0 40 DDAB COCCNC(=O)[C@H]1CN(C2CCCC2)Cc2cccn2C1 247816992 BSPRKRUUEFQXNH-CQSZACIVSA-N 305.422 1.625 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](n3nccn3)C2)cc1 253471844 FZZXSTFJBRVPRT-XKOZXHHJSA-N 318.402 1.834 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 257307034 SWYSUMRJMFZKGG-ZDUSSCGKSA-N 304.394 1.784 0 40 DDAB CC(C)S(=O)(=O)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257294580 QUTBQFPMHYTOFL-GFCCVEGCSA-N 308.407 1.876 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2ncccc2F)CCO1 257215298 CPMMCBCAQYJFRM-ZDUSSCGKSA-N 303.341 1.626 0 40 DDAB Cc1cc(C)nc([C@@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 257329797 XLOPQMQJSNGJMW-ZDUSSCGKSA-N 304.394 1.265 0 40 DDAB Cc1ccc(F)c2c1CCCN2Cc1cc(=O)n(C)c(=O)n1C 68859125 MKLLKSOLHLEHHQ-UHFFFAOYSA-N 317.364 1.484 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)COc2ccccc2F)[C@H]1O 257211668 BZUXUSZYAZWJKN-XNRPHZJLSA-N 311.353 1.591 0 40 DDAB NS(=O)(=O)c1c(Br)cccc1OC(F)(F)F 616576380 RDQDOXARXHVTOX-UHFFFAOYSA-N 320.086 1.995 0 40 DDAB CCCn1ccnc1CN1CCC[C@](O)(CCC(=O)N(C)C)C1 585277990 OKJXZHWIBKAINQ-KRWDZBQOSA-N 322.453 1.488 0 40 DDAB COc1cccc(F)c1CN(C)[C@@H]1COC[C@@H](OC)[C@H]1OC 585290322 BOMDTUQVVFCWNO-BMFZPTHFSA-N 313.369 1.695 0 40 DDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095734 GVHSGRSMAYRFDS-AWEZNQCLSA-N 320.393 1.367 0 40 DDAB Cc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)s1 48824746 RYMPBMIWXOHVHE-UHFFFAOYSA-N 316.448 1.344 0 40 DDAB [O-][N+]1=C2CNN(c3ccccc3)CC2=[N+]([O-])[C@@H]2CCCC[C@@H]21 5031265 KGNZFYBUJSEABH-UONOGXRCSA-N 300.362 1.239 0 40 DDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnccn1 12145014 IQSCQKNLUUDWMH-CQSZACIVSA-N 310.361 1.676 0 40 DDAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 16188570 BLYJXNAZIZJWAU-CQSZACIVSA-N 310.419 1.317 0 40 DDAB Cc1cc(OC2CN(C(=O)Cc3cccnc3)C2)cc(=O)o1 206960831 IAZPYKFPKQXQLG-UHFFFAOYSA-N 300.314 1.176 0 40 DDAB COc1cc(C)ccc1C(=O)NCc1nnc2n1CCCC2 547706277 VCAZBISNWCBOMH-UHFFFAOYSA-N 300.362 1.861 0 40 DDAB O=C(CNc1cc2c(cc1Cl)OCCO2)N1CCNC1=O 10940225 LWKYPZCHANPCPX-UHFFFAOYSA-N 311.725 1.075 0 40 DDAB CCN(Cc1ccncc1)C(=O)[C@H]1CNCC12CCOCC2 2056225742 ALBGSNIQIYZANO-OAHLLOKOSA-N 303.406 1.446 0 40 DDAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)Nc2ccccc2F)C1=O 2710745 VXASVSUCKJVLAD-IUCAKERBSA-N 310.350 1.643 0 40 DDAB O=C([C@@H]1CCCO1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 4165376 LRKRUIXXKFCZBL-KGLIPLIRSA-N 307.371 1.509 0 40 DDAB CN(C)CCOC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374253 FJMLOIPFYKUWJF-LBPRGKRZSA-N 309.341 1.219 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 13794029 DNLBGGXUPLOEDW-AWEZNQCLSA-N 324.402 1.642 0 40 DDAB Cc1nnc(SCC(=O)NCc2ccccc2Cl)nc1O 18044945 JPZNMIONSMKBRU-UHFFFAOYSA-N 324.793 1.948 0 40 DDAB Cc1nnc2ccc(N3CCC(N(C)c4ccccn4)CC3)nn12 1889133954 KQXQUVCJZQCUOU-UHFFFAOYSA-N 323.404 1.933 0 40 DDAB Cn1c(N2CCN(S(=O)(=O)C3CC3)CC2)nc2ccccc21 42381481 DKDCVTPRLFJMRN-UHFFFAOYSA-N 320.418 1.188 0 40 DDAB CN(C)c1cc(N2CCC[C@H](COc3cnccn3)C2)ncn1 2298183976 RSVVSVLSBXXXSF-ZDUSSCGKSA-N 314.393 1.628 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c1C 22356998 ZGKNBKOLTUOROR-NXEZZACHSA-N 308.378 1.710 0 40 DDAB COCCn1cnnc1SCC(=O)c1cccc(OC)c1 40456809 VCTUMRBLNMHAFW-UHFFFAOYSA-N 307.375 1.908 0 40 DDAB Cc1cc([C@@H]2CCCN2Cn2nnc3ccccc3c2=O)on1 40555896 IIFOQHWYFHMRAL-AWEZNQCLSA-N 311.345 1.883 0 40 DDAB COc1cccc(CN(C)C(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 32675002 SBSJYMHOMFBGBS-IUODEOHRSA-N 304.390 1.816 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(O)c2ccccc2c1=O 2628004 WUURTVLBWMPCEX-FZMZJTMJSA-N 315.373 1.797 0 40 DDAB CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O 1626042 MSDUZLXFEMEMNF-WCQYABFASA-N 322.361 1.527 0 40 DDAB Cc1cc([C@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)no1 52530979 XYDQPYNVWHRHBT-CYBMUJFWSA-N 320.393 1.840 0 40 DDAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)c1nc2ccccc2c(=O)[nH]1 4906295 MAQKZHFMUZBANF-SSDOTTSWSA-N 315.358 1.442 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccccc1F)CS2 7754193 QJOGVRTURVULAQ-IUODEOHRSA-N 308.378 1.896 0 40 DDAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 101359578 KPRWGJNSDYUMCT-MGBSGCIJSA-N 313.309 1.638 0 40 DDAB Cn1c(CO)cnc1S(=O)(=O)Cc1csc(C2CC2)n1 97035090 HNKJHLHTZKEURA-UHFFFAOYSA-N 313.404 1.220 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 42245619 RWRHOZWEZGIAAR-LBPRGKRZSA-N 321.446 1.185 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)c2nc(C)no2)cc1 47661927 HTYUPBQZYNLZBE-QMMMGPOBSA-N 309.347 1.871 0 40 DDAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/SC(=O)NC1=O 100149949 WDKUQPOSYZGRIV-VUBLIPMDSA-N 301.327 1.892 0 40 DDAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccccc1 34291702 VNFPRPGXGYMAKL-GFCCVEGCSA-N 322.361 1.499 0 40 DDAB in-vitro Cc1ccccc1-n1ncc(C(=O)NCCCC(N)=O)c1C 42924847 WREQFRGTFUXVFQ-UHFFFAOYSA-N 300.362 1.484 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Cl)o1 24684787 LUQSFEYVFWHRPY-SECBINFHSA-N 320.798 1.477 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2cccc(C)c2)c1C 55279118 QKRGGHFAINSLMQ-UHFFFAOYSA-N 316.361 1.566 0 40 DDAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCCN(c2cccnn2)CC1 69976884 AEQWKZZPEYWBFD-HZPDHXFCSA-N 323.400 1.714 0 40 DDAB COc1cccc(S(=O)(=O)CCN2C[C@@H](C)OC[C@@H]2C)c1 106646314 WUMSCGHOHWQGAE-QWHCGFSZSA-N 313.419 1.578 0 40 DDAB Cc1cnn(CCC(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)c1 69928570 XJBCBBPPNMHNFP-HNNXBMFYSA-N 322.453 1.133 0 40 DDAB CSc1cncc(N2CCN(C(=O)c3ccoc3)CC2)n1 97095867 TZBVFOZBIPPVAC-UHFFFAOYSA-N 304.375 1.754 0 40 DDAB C[C@H](O)CN1CCN(C[C@H](O)c2ccccc2Cl)C[C@@H]1C 106840952 VGBSXSWRINQZNL-XEZPLFJOSA-N 312.841 1.760 0 40 DDAB O=c1c2cnc(-n3ccnc3)nc2nc(O)n1-c1ccc(F)cc1 57351999 SPUTWXSBJVZFIT-UHFFFAOYSA-N 324.275 1.206 0 40 DDAB CCOC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 1754769 JJBYXGDYCQQEMI-CQSZACIVSA-N 310.737 1.670 0 40 DDAB CCC[C@](C)(CNC(=O)[C@@H]1CCCO1)NC(=O)[C@@H]1CCCO1 72293538 MSVPJVHDQOCAAX-HEHGZKQESA-N 312.410 1.136 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H](n2cncn2)C1 72272364 LVVZITZYXKTDSQ-GFCCVEGCSA-N 316.390 1.394 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)CN(C)Cc1ccccc1 10051223 FALRBZRVVOBFJS-UHFFFAOYSA-N 305.422 1.492 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(COCC2CC2)c1 58159119 OPSBUCSJNHCWDE-NSHDSACASA-N 305.378 1.869 0 40 DDAB Cc1occc1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48236354 FMZWCOFPSJPTMV-UHFFFAOYSA-N 316.361 1.356 0 40 DDAB COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(C(N)=O)c1 58192102 DGHPPAOSURJBRY-KRWDZBQOSA-N 324.380 1.885 0 40 DDAB CC[C@@H]1CN(C(=O)CSc2nnc3ccccn23)CCO1 58281614 DFNHFJNGMUQXFV-LLVKDONJSA-N 306.391 1.459 0 40 DDAB COC(=O)c1oc(CN2CCC[C@H](CNC(N)=O)C2)cc1C 44975680 SLFIJAILKCKPKJ-LLVKDONJSA-N 309.366 1.255 0 40 DDAB C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)[C@H]1CCCO1 27867056 DXMYXCZBNGEPJL-IAQYHMDHSA-N 315.373 1.160 0 40 DDAB O=C(CC[C@H]1CCCO1)N[C@@H]1CCN(Cc2ccccc2)C1=O 58420299 ZOICPBGDMGISTO-HZPDHXFCSA-N 316.401 1.863 0 40 DDAB CCOCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC 29632316 NPTFDXYSCYWSLO-UHFFFAOYSA-N 320.389 1.569 0 40 DDAB O=C(Cn1cccn1)NCCNC(=O)c1ccccc1Cl 48344885 AMIFQKYASBFUFW-UHFFFAOYSA-N 306.753 1.083 0 40 DDAB O=C(CN1CSCC1=O)N[C@H]1CCSc2ccccc21 48326307 VFDQOHIVLPGVMF-NSHDSACASA-N 308.428 1.873 0 40 DDAB CCOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8727965 YLILWJTYFXCAOT-UHFFFAOYSA-N 312.391 1.446 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N(C)CC(=O)N(C)C)cc2)n1 72230662 PGJVANPLUDGJPH-UHFFFAOYSA-N 314.389 1.649 0 40 DDAB CCOC(=O)Cn1cnc2c3c(sc2c1=O)CC(C)(C)OC3 13685922 OKASAXUZTWKNHY-UHFFFAOYSA-N 322.386 1.872 0 40 DDAB c1ccc(-n2cc(CN3CCO[C@@H](Cn4cccn4)C3)nn2)cc1 69418668 XWGVSQBNXDJQSK-QGZVFWFLSA-N 324.388 1.365 0 40 DDAB C[C@@H]1CCCCN1C(=O)CCNC(=O)c1cc(C2CC2)[nH]n1 69488471 QFHMYVNOCPQXQW-LLVKDONJSA-N 304.394 1.808 0 40 DDAB Cc1nc(NC(=O)CN2CCCC2=O)ccc1Br 91507620 LTWVXMHYUKMMNK-UHFFFAOYSA-N 312.167 1.713 0 40 DDAB Cc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1 5387904 XUMALLJBPPZVBQ-UHFFFAOYSA-N 317.330 1.302 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1 14102434 BXZSZHHHONKKRG-UHFFFAOYSA-N 322.430 1.794 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@H]1CN(C)CCO1 65624574 MWUYNZRGFZMVJE-KRWDZBQOSA-N 314.433 1.909 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCCC2)cc1 4679561 PQYVJANTOAAMST-UHFFFAOYSA-N 311.407 1.019 0 40 DDAB Cc1ncsc1CN(C)C(=O)c1n[nH]c(=O)c2ccccc12 66407024 SZYPPDNOQGPDMX-UHFFFAOYSA-N 314.370 1.960 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3ccoc3)CC2)n1 69652594 FMGUALBFEUCUAR-UHFFFAOYSA-N 302.334 1.349 0 40 DDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccco1 5858405 KQFPDELINXHXQG-CQSZACIVSA-N 315.325 1.753 0 40 DDAB C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CCC(N)=O)C1=O 66969205 GZGQHVWQPFPIDJ-NSHDSACASA-N 301.755 1.044 0 40 DDAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)N1CCOCC1 4950932 BFCZNIFRHGFOQZ-UHFFFAOYSA-N 321.308 1.958 0 40 DDAB COC(=O)C1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 15332021 ZTXIFHHEJZLFTP-UHFFFAOYSA-N 321.329 1.206 0 40 DDAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1-n1cnnn1 67512131 MZWDWNDGMGBVPN-CABCVRRESA-N 305.341 1.948 0 40 DDAB C[C@@H](c1ccc(F)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 69811542 NRGPXIMQSFUSTG-RYUDHWBXSA-N 300.399 1.887 0 40 DDAB COCCOc1cccc(C(=O)N2CCn3c(C)nnc3C2)c1 69815259 JMXNEUXUZKYEEL-UHFFFAOYSA-N 316.361 1.268 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1C[C@@H]1C 7723475 LOLYJLKFFUOGST-ONGXEEELSA-N 312.391 1.540 0 40 DDAB O=C1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CCN1 97197321 LXFWFOCSOAJBRY-UHFFFAOYSA-N 311.341 1.836 0 40 DDAB Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)nc1 96012730 PTNTXDBSQQWONZ-UHFFFAOYSA-N 300.270 1.432 0 40 DDAB O=C(CCOc1ccccc1)N1CCC[C@@H](n2cncn2)C1 71847075 ZVMVQPWNHAPJDO-CQSZACIVSA-N 300.362 1.911 0 40 DDAB COc1cc(CNC(=O)C=C2CCCC2)ccc1OCC(N)=O 71821007 GOXBPGBQYUYKHD-UHFFFAOYSA-N 318.373 1.676 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C)n[nH]3)CCO2)n1 76045974 LVCTWGBTFUADCD-NSHDSACASA-N 304.354 1.002 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N(CC(F)(F)F)C(C)C 71907783 ANGJTBRFPWLUFZ-SNVBAGLBSA-N 310.316 1.423 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(NC(=O)OC(C)(C)C)C1)C1CC1 71922177 RMIKIODEKAPCFM-ONGXEEELSA-N 311.382 1.189 0 40 DDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N(C)CC1CC1 95953247 ZURGISTWCFFXOQ-HNNXBMFYSA-N 317.368 1.773 0 40 DDAB CN(Cc1ccoc1)C(=O)CN(C)c1ncnc2[nH]cnc12 95954409 XVYHAENQFHGLEF-UHFFFAOYSA-N 300.322 1.041 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1nnc2ccccn12 79441182 DKBZZBFROGGQEB-UHFFFAOYSA-N 313.365 1.140 0 40 DDAB COc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c(F)c1 89432743 DJKMVSCLLPNVJU-OCCSQVGLSA-N 308.353 1.998 0 40 DDAB CNc1cc(N2CCC[C@H]2CNCc2cnn(C)c2)ncn1 75128746 SFTKJUFTGDJYFO-ZDUSSCGKSA-N 301.398 1.010 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)Nc2nncs2)no1 75573221 BGJTWVUWWDHZJA-MRVPVSSYSA-N 308.367 1.259 0 40 DDAB CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1 77938664 VTBNODQQDGHGOW-UKRRQHHQSA-N 304.390 1.855 0 40 DDAB O=C(CCn1cccc1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524732152 ZHVBBJZULCMVQK-PMPSAXMXSA-N 315.417 1.738 0 40 DDAB biogenic O=C(NCc1ccccc1)C(=O)NC[C@@H](O)C1CCCCC1 70636780 SFPLAQQMATWTLI-OAHLLOKOSA-N 304.390 1.360 0 40 DDAB NNc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 35354445 IIDGTDFTUIQDRA-UHFFFAOYSA-N 303.387 1.719 0 40 DDAB Cc1oncc1CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 129489205 OHDRXSWFWXUYPP-ZIAGYGMSSA-N 314.407 1.151 0 40 DDAB C[C@H](C(=O)N1CCC[C@H]1Cc1cccc(F)c1)S(C)(=O)=O 79351958 UZHQDPYNXUGPJV-RISCZKNCSA-N 313.394 1.792 0 40 DDAB Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72364492 LMYISAWRKDHKPJ-CYBMUJFWSA-N 306.391 1.649 0 40 DDAB COC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218040433 AUWZGLJRCSXNJT-IXDOHACOSA-N 317.410 1.970 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 71283315 CPMDDISVRASTOT-UHFFFAOYSA-N 319.324 1.333 0 40 DDAB CNC(=O)CCOc1nn(C)c2ccc(Br)cc12 227163673 IOELNWDIGVZLCO-UHFFFAOYSA-N 312.167 1.851 0 40 DDAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)CN1Cc2ccccc2C1=O 570635421 GKSBMWXKHFJELL-KWCYVHTRSA-N 314.341 1.107 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 225819552 YDDFGTCBNSRFQF-UHFFFAOYSA-N 304.346 1.874 0 40 DDAB CN1CCN(c2ccc(NC(=O)c3ccco3)cc2N)CC1 226263938 MLFDPPSWZZALOV-UHFFFAOYSA-N 300.362 1.866 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2=O)cn1 96249157 COJKDCRZHCVKCZ-CJNGLKHVSA-N 311.389 1.300 0 40 DDAB CNC[C@H]1CCCN1S(=O)(=O)c1cn[nH]c1C(C)(C)C 97234998 OEVZOHHXDBRQRB-SNVBAGLBSA-N 300.428 1.080 0 40 DDAB O=C(c1ccncc1)N1C[C@H]2C(=O)N(c3ccccc3)C[C@H]2C1 97971509 WPWFTNOHCYZLSX-GDBMZVCRSA-N 307.353 1.817 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccn1 96060556 NRQFPECRYAYKHK-MRXNPFEDSA-N 313.405 1.829 0 40 DDAB O=C1CCCN1[C@@H]1CCO[C@]2(CCN(C3CCOCC3)C2)C1 96209217 PIJYOMZWGCBBBO-NVXWUHKLSA-N 308.422 1.411 0 40 DDAB Cc1cccc(C)c1NCC(=O)NCc1cnc(N(C)C)n1C 96424051 XPOSYAMOKXEPRS-UHFFFAOYSA-N 315.421 1.831 0 40 DDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccoc3)[C@H]2C1 248044794 WCSZDUOVMNTLLJ-JYJNAYRXSA-N 322.405 1.364 0 40 DDAB CCCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 244419069 YSMYBMXSNSHOFG-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB Cc1cc2nc([C@@H]3CCCN(C[C@H]4CCOC4)C3)cc(N)n2n1 248331448 HEGGMZDENSRUTJ-ZIAGYGMSSA-N 315.421 1.836 0 40 DDAB O=C(c1cnn2cccnc12)N1CCC[C@@H](c2cnccn2)C1 257321934 WDXSHSGEEZWXRO-GFCCVEGCSA-N 308.345 1.539 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H]1O 257226095 FJDNIIPECBDAEG-UXIGCNINSA-N 307.346 1.464 0 40 DDAB CC(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 257314076 UVERMSKQFZQREW-IAGOWNOFSA-N 304.390 1.121 0 40 DDAB CS(=O)(=O)N1CCC(c2nccnc2-c2cc[nH]n2)CC1 257240983 HWBJYQXBBFSCBZ-UHFFFAOYSA-N 307.379 1.006 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(N)CN)cc1 252515001 FSMVVSJHQLJGST-GVDBMIGSSA-N 316.426 1.591 0 40 DDAB COc1cc(CCC(=O)N2CCC(c3cnccn3)CC2)on1 257291917 QJFVYHUQCPYHKL-UHFFFAOYSA-N 316.361 1.812 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C=O)CC[C@]314 253503941 AZHWHXLRFIFKTO-WYEVINAZSA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCN1CC=CCC1 280364292 YJVJGPAFFHACHJ-CJNGLKHVSA-N 302.374 1.593 0 40 DDAB CS(=O)(=O)Oc1ccc2c(=O)c(Br)coc2c1 390828512 RNNZKXUPBJKEBP-UHFFFAOYSA-N 319.132 1.894 0 40 DDAB COc1ccccc1CCC(=O)N[C@@]1(C(=O)O)CCSC1 43509912 GHDREBWZKVOSEM-HNNXBMFYSA-N 309.387 1.704 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cc(C)on1)[C@H](C)C2 585097574 MCTHMNFBHAEHKX-LLVKDONJSA-N 305.382 1.558 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccnc(F)c2)N1CC1CC1 585107655 JNZAZUZVEYGLDO-QWHCGFSZSA-N 303.337 1.446 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)N3CCOC[C@H]3C)c(C)n2n1 44912584 AOBQGJWAXQXTQZ-GFCCVEGCSA-N 316.405 1.834 0 40 DDAB CN(CCNC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1 54763347 PHKJPJAWFHHGHD-UHFFFAOYSA-N 318.421 1.025 0 40 DDAB CCNC(=O)CN(CC)C(=O)c1c(C)nn(C(C)(C)C)c1C 69349574 GBUVFVBAOCJHNY-UHFFFAOYSA-N 308.426 1.853 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 69349928 JCRPZOOXZFPUHM-CQSZACIVSA-N 317.393 1.661 0 40 DDAB C[C@H](CNC(=O)Cn1ccc(=O)c2ccccc21)N1CCCC1 89900760 OSCHFFHMECFPDX-CQSZACIVSA-N 313.401 1.602 0 40 DDAB Cn1cccc(C(=O)NC[C@@]2(O)CCCc3sccc32)c1=O 1889072012 DWKKIRRGUYGTOW-INIZCTEOSA-N 318.398 1.401 0 40 DDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCCc1ccc(F)cc1 1615086998 NIOCGPXJWBLRJH-KRWDZBQOSA-N 322.380 1.248 0 40 DDAB CCn1ncc(Br)c1C(=O)N[C@@H](C)[C@H]1CCCO1 2779128 QZZPTTRQEPMMOJ-WCBMZHEXSA-N 316.199 1.963 0 40 DDAB CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1c1ccc(C=O)cc1 16956196 DZZHGBYROUOPSE-GASCZTMLSA-N 319.357 1.963 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CC[C@@H](Oc2ccncn2)C1 575604781 BCVGBQCZASCWGG-LLVKDONJSA-N 300.318 1.636 0 40 DDAB COCCN1CCC(CNC(=O)c2cccc(OC)c2)CC1 23127933 WESTZKSSZUUCCG-UHFFFAOYSA-N 306.406 1.783 0 40 DDAB COc1ccc(CN2CCO[C@@H](C(=O)NC3CC3)C2)cc1F 1888860454 HYHGCBHKBUOQMW-OAHLLOKOSA-N 308.353 1.314 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ncc(Cl)cn2)CC1 1888882236 BWBNKIHYQOTNSW-NSHDSACASA-N 311.817 1.165 0 40 DDAB CSc1nccc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)n1 1889098646 DGLXXFASCUPDKD-GFCCVEGCSA-N 322.434 1.416 0 40 DDAB CCc1cnc(OC2CCN([C@H]3CCCNC3=O)CC2)nc1 1776009747 ZURDZLHRFYCBGC-AWEZNQCLSA-N 304.394 1.161 0 40 DDAB O=C1NCCN1C(=O)NC[C@@H](c1ccoc1)N1CCSCC1 253396257 DJWVNQHATMHGCZ-LBPRGKRZSA-N 324.406 1.104 0 40 DDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=C1SCC(=O)N12 1001336 LPCIQFTWJPPFLL-YWPYICTPSA-N 318.354 1.571 0 40 DDAB Cc1ccc(N2C[C@@H](NC(=O)NCCCN(C)C)CC2=O)cc1 5123422 BEOZHMRKVDJTGJ-AWEZNQCLSA-N 318.421 1.351 0 40 DDAB CCCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9738320 VMGSXAQYEJVBIZ-UHFFFAOYSA-N 315.373 1.377 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 11963884 ZILBKJXMQVADGW-UHFFFAOYSA-N 322.365 1.127 0 40 DDAB O=C(NC1CC1)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713897 WTIDFZWDVQVUNT-LBPRGKRZSA-N 316.405 1.350 0 40 DDAB CCC(N[C@H](C)CCCN(CC)CC)=C1C(=O)NC(=O)NC1=O 22028343 QUAYTRHDCVQGEW-LLVKDONJSA-N 324.425 1.117 0 40 DDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCN1CCOCC1)CC2=O 100175304 SYBVAYYARAAZTJ-QZTJIDSGSA-N 322.449 1.610 0 40 DDAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CN1C(=O)CCC1=O 575415732 ZMZBLDRVPWIDPW-LLVKDONJSA-N 314.341 1.629 0 40 DDAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1cncc(C2CC2)c1 575621029 TVKJWXCFHVFJEY-UHFFFAOYSA-N 324.384 1.710 0 40 DDAB O=C(C1CN(c2nc3ccc(F)cc3o2)C1)N1CCOCC1 2298051612 LBYIUWRSIANQMK-UHFFFAOYSA-N 305.309 1.262 0 40 DDAB NC(=O)C1CCN(C(=O)Cc2cc(-c3cccs3)on2)CC1 12422277 BSPLJHMSWVLNBO-UHFFFAOYSA-N 319.386 1.670 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c1 72256525 PNDFDCXQVMNYDU-UHFFFAOYSA-N 324.446 1.106 0 40 DDAB O=C(CN1CCCS1(=O)=O)Nc1ccc(OC(F)F)cc1 40088185 XGKVHPZDDCXYAU-UHFFFAOYSA-N 320.317 1.262 0 40 DDAB O=C(C1CC1)N1CCOC12CCN(c1cccc(F)n1)CC2 20218833 UESYPRCOMYWHTD-UHFFFAOYSA-N 305.353 1.786 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H]1C(=O)O)N1CCc2ccccc2C1 32073978 UDIWVRHHDGOWCO-IUODEOHRSA-N 302.374 1.509 0 40 DDAB Cc1cc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)no1 84117094 XNGYWLBRXDYQDF-AWEZNQCLSA-N 303.366 1.110 0 40 DDAB CC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 46165938 UDKFZVKPUAFGGK-GFCCVEGCSA-N 315.377 1.265 0 40 DDAB CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)[C@@H](COC)OC 1646396 LCUMRFCUJAIYHO-JKSUJKDBSA-N 324.421 1.797 0 40 DDAB O=S(=O)(NCCn1ccnc1)c1cccc(C(F)(F)F)c1 32797681 DAMCIMSVGPPVAI-UHFFFAOYSA-N 319.308 1.880 0 40 DDAB CCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)cc1 6265056 XSEGFOQQYWGGLJ-KBPBESRZSA-N 301.346 1.887 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 100634624 JMMVFEXMFJPKAO-RSUWNVLCSA-N 319.744 1.799 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)C 8218530 ZKLCKKVNQBPGLG-VIFPVBQESA-N 318.826 1.922 0 40 DDAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCOCC1 8499342 IVCQYMJHVUZEMC-QGZVFWFLSA-N 320.433 1.991 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 53646296 COLLBHVIPGNKHW-UHFFFAOYSA-N 322.386 1.540 0 40 DDAB COc1ccc(CN(C)C(=O)N[C@@H](C)c2nncn2C)cc1F 46962751 KYCFIZBIRPIBLC-JTQLQIEISA-N 321.356 1.865 0 40 DDAB O=C(c1cc(Cl)c[nH]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 54455426 JFYKSLYCRKHUQF-LBPRGKRZSA-N 311.769 1.132 0 40 DDAB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H]2[C@@H]3[C@H]4[C@H]5[C@@H]3[C@@H]1[C@]51CCCC[C@]241 104099714 DTUJSPXZJGULOB-YRAVNFLWSA-N 302.370 1.877 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 24089615 KISDQYIUMYINFH-RHSMWYFYSA-N 318.373 1.285 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 37474901 WDZZLILCEUHSEI-WFASDCNBSA-N 319.380 1.564 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269095 WMIJPUOGBLFERP-JKSUJKDBSA-N 306.381 1.426 0 40 DDAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccco2)CC1 24752477 PVQBCTWSKVCPCI-UHFFFAOYSA-N 304.268 1.810 0 40 DDAB COc1c([C@H]2CCCN2CC(=O)N[C@H](C)C2CC2)c(C)nn1C 106908827 FSKNXWIOBNHRKD-BXUZGUMPSA-N 320.437 1.789 0 40 DDAB CC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1 1573408 AWOGXJOBNAWQSF-AWEZNQCLSA-N 308.378 1.585 0 40 DDAB in-man CCOC(=O)N1CCN(C(=O)COc2cccc(OC)c2)CC1 58872368 JRNNOOQYAGCHIF-UHFFFAOYSA-N 322.361 1.375 0 40 DDAB C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)C(N)=O 56585813 ADKWMXPBSVNNLJ-LURJTMIESA-N 310.151 1.534 0 40 DDAB C[C@@H](C(=O)N[C@H](C)C[C@@H](O)c1ccco1)N1CCSCC1 108142745 BYUWBEHWLUSKJR-FRRDWIJNSA-N 312.435 1.645 0 40 DDAB CCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 27038516 UPMPOFDZCUCARM-NWDGAFQWSA-N 319.405 1.973 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1 27183070 HVNJTUIXFZQNQS-MRVPVSSYSA-N 319.283 1.301 0 40 DDAB O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1cccs1 57930065 BTUXYDWWVVSWPJ-QMMMGPOBSA-N 314.354 1.663 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1)c1ccco1 10088845 XOIXGWCYTWLYGG-ZDUSSCGKSA-N 312.366 2.000 0 40 DDAB COC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10123717 YVLAEEULDQOGBI-UHFFFAOYSA-N 317.320 1.403 0 40 DDAB Cc1cc(C(=O)NC2CCN(C(=O)c3ccoc3C)CC2)no1 58344618 LUGAXVWNNXMKOB-UHFFFAOYSA-N 317.345 1.919 0 40 DDAB Cc1cccc(C[C@@H](CO)CNC[C@H]2CNc3ccnn3C2)c1 58328417 QHZBGMVFRKLEKR-SJORKVTESA-N 314.433 1.674 0 40 DDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](C)C1CC1 48261634 SGULTCAKOIHPLD-BMIGLBTASA-N 317.368 1.819 0 40 DDAB CCn1nc(C)cc1-c1nn2c(-c3cnccn3)nnc2s1 36359591 FWXQTDRPETYLRJ-UHFFFAOYSA-N 312.362 1.835 0 40 DDAB CCN(C(C)=O)c1nc(CN2CCC[C@H](NC(C)=O)C2)cs1 48278468 ZRPGWABZFSFBQO-ZDUSSCGKSA-N 324.450 1.616 0 40 DDAB COC[C@@H](C)NC[C@H](O)COc1ccc(Br)cc1 3337956 RUADYBLYKWLSEE-PWSUYJOCSA-N 318.211 1.813 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N(C)CCOc1ccccc1C 29149111 AAOKJZMEOXZMBX-ZDUSSCGKSA-N 307.394 1.540 0 40 DDAB Cc1cc(=O)c(C(=O)N2CCO[C@H](C)C2)nn1-c1ccccc1 11500120 WHCMKYTWLURZHW-CYBMUJFWSA-N 313.357 1.402 0 40 DDAB CCc1noc([C@H](C)N2CCN(Cc3ccccn3)CC2)n1 45915276 ILAQYBJGZPRNDN-ZDUSSCGKSA-N 301.394 1.906 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1Cl 37993227 OHNOXTDIEJBNEP-VHSXEESVSA-N 319.814 1.406 0 40 DDAB CN(C)c1cc(CNC(=O)N[C@H]2CCN3CCCC[C@H]23)ccn1 48354902 SGGPHXCMLCHEKZ-LSDHHAIUSA-N 317.437 1.574 0 40 DDAB O=C(NCCc1cccs1)C(=O)NCc1cccc(F)c1 48325443 GHPRMQFNDWXKAA-UHFFFAOYSA-N 306.362 1.862 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]2C)cc1 48356630 CNEDFRFJPGVBBV-JQWIXIFHSA-N 311.407 1.050 0 40 DDAB COCCOCC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 48333816 UASIWNTVEIWKGI-CYBMUJFWSA-N 318.377 1.450 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 13118093 DNXZZQJSOGXNHD-SMDDNHRTSA-N 310.419 1.903 0 40 DDAB CCN1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2)CC1 13250320 DGNDCJBMPJBWSE-UHFFFAOYSA-N 312.391 1.147 0 40 DDAB CCc1ccc(N2C(=O)C[C@H](NC[C@H]3CCCO3)C2=O)cc1 28640844 RWJBRJUSOVCSJS-CABCVRRESA-N 302.374 1.650 0 40 DDAB O=C(O)c1ccc(CCNC(=O)c2ccc3[nH]nnc3c2)cc1 72235956 HFLOLVRBMPTIPB-UHFFFAOYSA-N 310.313 1.629 0 40 DDAB Cc1ccccc1OCC(=O)NCCCNC(=O)c1ccco1 5015357 PJBZIRWSJWKHBZ-UHFFFAOYSA-N 316.357 1.903 0 40 DDAB OCCN[C@H](c1ccccc1)[C@H](NCCO)c1ccccc1 19371080 VPCWFGUIHDFUPC-QZTJIDSGSA-N 300.402 1.633 0 40 DDAB O[C@H]1CCCN(c2cncc(OCC(F)(F)C(F)F)n2)C1 65521816 HWWJQPWJSFBFIZ-QMMMGPOBSA-N 309.263 1.717 0 40 DDAB CNC(=O)NC(=O)[C@H](C)NCC1(c2cccs2)CCCC1 65593063 OGLXNKBQPGFMQY-NSHDSACASA-N 309.435 1.994 0 40 DDAB CCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C 6499072 WTEDLIQOMIXNDI-UHFFFAOYSA-N 300.318 1.026 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(OCC(=O)O)c1 71284266 BQPUNRRKPJPRAT-VXGBXAGGSA-N 307.302 1.445 0 40 DDAB O=C1CN(C(=O)Nc2cccnc2Oc2ccccc2)CCN1 65623163 SILVUBXMDJPFSM-UHFFFAOYSA-N 312.329 1.838 0 40 DDAB CCOC(=O)C(NC(=O)/C=C/c1cccs1)C(=O)OCC 14240001 XFIBFLJPYWCPAW-BQYQJAHWSA-N 311.359 1.372 0 40 DDAB COC(=O)c1cccc(NC(=O)c2nc3nccc(C)n3n2)c1 6653498 OFTYBHLTDMTIFG-UHFFFAOYSA-N 311.301 1.472 0 40 DDAB CCN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1=O 66488646 LALOYAJZUPHTFI-SECBINFHSA-N 323.324 1.811 0 40 DDAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)COC)CC2=O)cc1 4943343 RGTFXZSXMQYJLP-QWHCGFSZSA-N 320.389 1.589 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ncccc1OC 96013124 HJVOOPQDYCTAPJ-JTQLQIEISA-N 316.365 1.901 0 40 DDAB Clc1cc(-c2nc([C@@H]3COCCN3)no2)cc2c1OCO2 96001478 CYNAYCNICGRCFC-VIFPVBQESA-N 309.709 1.780 0 40 DDAB Cc1ccc(-n2nc(C)c(C(=O)N(C)CC(=O)O)n2)c(C)c1 96997493 QXKKESVIJITXEB-UHFFFAOYSA-N 302.334 1.349 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)C1 80474030 CZOPNAINHIVPRA-KBPBESRZSA-N 320.437 1.514 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1nc[nH]n1 80528195 JMZHXZHJDAXITE-UHFFFAOYSA-N 300.771 1.587 0 40 DDAB CC[C@H](Oc1ccccc1)C(=O)NN1C(=O)N[C@](C)(CC)C1=O 8263881 HJRMJTMJECVRPR-BLLLJJGKSA-N 319.361 1.596 0 40 DDAB CC(=O)c1ccc(OC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 16959418 BBICOZLENNPIFG-CYBMUJFWSA-N 311.359 1.219 0 40 DDAB O=C1O[C@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc21 19842901 ACUNJJKADMFOCP-HOCLYGCPSA-N 316.357 1.179 0 40 DDAB CCc1nnc2n1CCN(Cc1nnc(-c3ccccc3)o1)C2 69516559 PXWGWBFJUUZEBP-UHFFFAOYSA-N 310.361 1.906 0 40 DDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccn(C(C)C)n1 96405862 KWPZCANBQJHKKO-ZDUSSCGKSA-N 324.450 1.848 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N(C)C)(c2ccccc2)CC1 96402283 CRAHDJWXYHZXEJ-UHFFFAOYSA-N 324.446 1.458 0 40 DDAB CCC[C@@H](C)C(=O)NCc1cccc(CS(=O)(=O)NC)c1 69655933 TYAUUFMKFDPQBG-GFCCVEGCSA-N 312.435 1.788 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)c1ncc(Br)cn1 69705408 UGYRMOVLZRSEEK-MRVPVSSYSA-N 322.228 1.499 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)c2cccs2)CC1 69778633 ODIBDAVWBDMWSI-UHFFFAOYSA-N 304.419 1.830 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)NCC[S@](=O)c2ccccc2)n1 71896458 SVWPPRYDPLOZJD-JLCFBVMHSA-N 319.430 1.985 0 40 DDAB CN(Cc1ccco1)C(=O)CNc1ccc2oc(=O)n(C)c2c1 84310986 JLXMCVZJXJTELY-UHFFFAOYSA-N 315.329 1.795 0 40 DDAB CN(C)c1ncccc1C(=O)NCc1nc(-c2ccccn2)no1 95394940 MGSAQRJSASMBRE-UHFFFAOYSA-N 324.344 1.523 0 40 DDAB CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(C)c(F)c1 84791164 MFHCFHPSFPZPIN-SNVBAGLBSA-N 303.355 1.612 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(CCOCC3CC3)C[C@H]2C)CC1 84714443 LKDWAXLGAVYUKF-QAPCUYQASA-N 323.481 1.288 0 40 DDAB Nc1nc(Cl)cc(NNC(=O)[C@H]2COc3ccccc32)n1 95467357 CVUSQAWEKPMJQM-QMMMGPOBSA-N 305.725 1.332 0 40 DDAB CCNC(=O)c1ccc(N[C@@H]2CCCc3c2cnn3C)nn1 95410481 SELMZCAPVRWPTK-LLVKDONJSA-N 300.366 1.449 0 40 DDAB C[C@](NC(=O)[C@H]1CCCOC1)(C(N)=O)c1cccc(Cl)c1 98008452 RIVHVGVVBZACID-ZUZCIYMTSA-N 310.781 1.583 0 40 DDAB COc1ccc(CCN2CCN(Cc3n[nH]c(C)n3)CC2)cc1 95987390 GISXEMFITSJSON-UHFFFAOYSA-N 315.421 1.482 0 40 DDAB CO[C@]1(C)C[C@H](N(C)S(=O)(=O)c2cn(C)c(C)n2)C1(C)C 95962391 ZQVGWIGPNLSWDR-SMDDNHRTSA-N 315.439 1.553 0 40 DDAB CCc1ncc(NC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 95972428 GYLUOQBWZWESKY-NXEZZACHSA-N 314.411 1.324 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)NC[C@H]1CCOC1)CC2 89429457 JPKZCUHHAKOFNM-GFCCVEGCSA-N 320.389 1.808 0 40 DDAB O=C(C1=CCCCO1)N1CCN(Cc2cccc(O)c2)CC1 86247426 CLBQPJHMEMXWAV-UHFFFAOYSA-N 302.374 1.731 0 40 DDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1cccc(F)c1 21699721 MWFQXWHRMHOBMN-CYBMUJFWSA-N 317.382 1.690 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@]23C=C[C@H]1O3 4099753 ILPCHWSTHYTTHA-NWJSVONSSA-N 305.717 1.711 0 40 DDAB Cc1csc2ncnc(N[C@H]3CCCN(CCO)C3=O)c12 518931718 TXXUWSOKKNJDOD-JTQLQIEISA-N 306.391 1.395 0 40 DDAB NC(=O)CC[C@H](NC(=O)c1coc(-c2ccccc2)c1)C(=O)O 408723526 YBNSTCMEZPJDDB-LBPRGKRZSA-N 316.313 1.395 0 40 DDAB O=C(NC[C@H]1CNCCCO1)c1nc(-c2ccccc2)cs1 516759551 FGZZZIFDEGYDID-CYBMUJFWSA-N 317.414 1.918 0 40 DDAB CN(C)c1ccc(C2CCN(C(=O)c3ccn(C)n3)CC2)nc1 72368488 XSYZGIOYXFEJTJ-UHFFFAOYSA-N 313.405 1.901 0 40 DDAB OCCn1nnnc1NCc1ccc(-c2ccccc2F)o1 32617180 JSHVEAJYMFYUEN-UHFFFAOYSA-N 303.297 1.677 0 40 DDAB CCNS(=O)(=O)CCNC(=O)/C=C(/C)c1ccccc1C 79361819 LNXZALQKCXEDBN-QBFSEMIESA-N 310.419 1.454 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N1Cc1cccs1 72239725 WJFDVTYOQCWSCZ-CYBMUJFWSA-N 309.435 1.307 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1C 78996697 RAVBQVVONNWMQM-JTQLQIEISA-N 317.393 1.238 0 40 DDAB CCOC(=O)c1sc(NC(=O)c2cn(C)nc2OC)nc1C 36689002 RHKVQQIBTBZHDR-UHFFFAOYSA-N 324.362 1.623 0 40 DDAB c1cc(-c2noc(Cn3cncn3)n2)cc(N2CCCCC2)n1 78774521 MIWJBHPGADWTCS-UHFFFAOYSA-N 311.349 1.762 0 40 DDAB CCn1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cn1 36612439 WTFPEACXFXYEBW-UHFFFAOYSA-N 318.402 1.905 0 40 DDAB CCCc1nnc(NC(=O)Cn2ncc3c2c(C)nn3C)s1 40714619 GEWPXECPWIATLW-UHFFFAOYSA-N 319.394 1.521 0 40 DDAB COc1cccc2c(=O)c(C(=O)NCc3ccccn3)c[nH]c12 41056161 PRAPFKVYQKKTIY-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1 45954031 PRUARTUQGKKXOQ-ZDUSSCGKSA-N 318.373 1.439 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1cccc(Br)c1 229675789 TZFKZTPFQLVJQB-GFCCVEGCSA-N 300.152 1.330 0 40 DDAB O=C(O)C[C@@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(F)cc1 565361278 KVOSNUDAWLJGLP-NWDGAFQWSA-N 317.338 1.050 0 40 DDAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccoc1 225637183 GRGZAUVPFGDRQM-CYBMUJFWSA-N 314.297 1.730 0 40 DDAB Cc1nn(CCC(=O)NCCC(=O)N(C)C)c2ccccc12 223293099 LIKXFLZZFNSRQK-UHFFFAOYSA-N 302.378 1.329 0 40 DDAB CN1C(=O)[C@@](C)(C(=O)NC[C@H]2CCCO2)Sc2ccccc21 40774532 IHYOLSNPUVNISI-BDJLRTHQSA-N 320.414 1.809 0 40 DDAB O=C(Cn1cnc2ccccc21)NCc1cnn2c1CCCC2 225608232 STOHNHVATCHJBA-UHFFFAOYSA-N 309.373 1.886 0 40 DDAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)Cn2cnnn2)n1 40714939 ARIQSAVNSIYBTM-LLVKDONJSA-N 319.369 1.008 0 40 DDAB NC[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 332098189 CJZDUGYIBVDDER-TZMCWYRMSA-N 321.400 1.180 0 40 DDAB c1cnc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 96049151 IBKNSNFMZDUCJV-INIZCTEOSA-N 312.377 1.142 0 40 DDAB O=C(CC1CC1)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96222679 PLSYDIGYIGOOEQ-YOEHRIQHSA-N 317.389 1.806 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)O2)CC1 96061217 RRKDLYHKZWTVQD-ZDUSSCGKSA-N 309.410 1.208 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1cnn(C)c1 96061719 BWQTXJJUEPGMME-CVEARBPZSA-N 313.405 1.203 0 40 DDAB O=C([C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@H]1O2)N1CCCC1 96253169 QAIPCJBJJJMZPX-OWCLPIDISA-N 301.390 1.293 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(C3CCCC3)C[C@H]2O1)N1CCCCO1 96042878 CRDIXAWZRUDUIC-NUEKZKHPSA-N 308.422 1.962 0 40 DDAB O=C1[C@H]2CN(Cc3cccnc3)C[C@@H]2CCN1Cc1cccnc1 96054639 IIMPMNQWCNHPSR-ROUUACIJSA-N 322.412 1.957 0 40 DDAB CCCCN(C)C[C@@H]1OC[C@H](NC2Cc3ccccc3C2)[C@H]1O 514289086 NQAOTHYIPJIXGJ-GBESFXJTSA-N 318.461 1.604 0 40 DDAB biogenic,in-vitro c1cncc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 96058652 FWBSPPUAGIVMEG-HNNXBMFYSA-N 310.401 1.976 0 40 DDAB COc1cccc([C@@H](O)CN2CCC[C@@H](NC(=O)C(C)C)C2)c1 96406582 DLLBTSLQBYHHAW-WBVHZDCISA-N 320.433 1.965 0 40 DDAB Oc1nc([C@@H]2CCCNC2)nc2c1nnn2Cc1ccccc1 96297267 KZUCQGDIMFHZKZ-GFCCVEGCSA-N 310.361 1.442 0 40 DDAB O=C(c1ccccc1)N1CCn2c(Cn3cncn3)cnc2C1 96201145 ATTSHGKKUPRKJU-UHFFFAOYSA-N 308.345 1.179 0 40 DDAB Cc1cnc(N2CCc3ncnc(-c4cnn(C)c4)c3CC2)nc1 96255199 LVCMPLIJZXBSAG-UHFFFAOYSA-N 321.388 1.581 0 40 DDAB CC[C@H](C(=O)NCC[S@@](=O)c1ccccc1)N1CCCC1=O 96436472 JQQHWOWMFCHJHF-PEBXRYMYSA-N 322.430 1.311 0 40 DDAB C[C@H]1CN(C(=O)NCc2nccc(C(F)(F)F)n2)[C@@H](C)CO1 334128821 RTDMLRISHNOVFD-IUCAKERBSA-N 318.299 1.814 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nncs2)n[nH]1 95475064 ZXQMNJOODATOGV-UHFFFAOYSA-N 303.351 1.531 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ccco4)C[C@H]3O2)no1 96070621 OPIQNLCSZRNLJC-CYZMBNFOSA-N 303.318 1.963 0 40 DDAB CNC(=O)[C@H](Cc1ccccc1)Sc1nc2ncccn2n1 96501836 KQDJYGZMQDWGMV-LBPRGKRZSA-N 313.386 1.574 0 40 DDAB CC(=O)N1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCO3)C2 96038437 VWJIWUJFOAKUPU-UHFFFAOYSA-N 316.357 1.500 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccccn3)CC2)C1=O 96046799 VKIGMWJMYNIZSB-UHFFFAOYSA-N 317.389 1.183 0 40 DDAB COCCN(CC(=O)N(C)C)c1cnc2cc(F)c(F)cc2n1 95406398 BTVLJMPLMRJFJK-UHFFFAOYSA-N 324.331 1.449 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)NC[C@H]1Cc2ccccc21 245339221 RIBNJCLQWRVJLW-OUCADQQQSA-N 310.419 1.270 0 40 DDAB COCCNC(=O)[C@H]1CN(Cc2ccsc2)Cc2cncn21 247915777 ZIFJKNYKAXVPEC-CQSZACIVSA-N 320.418 1.264 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cccc(-c2ccnn2C)n1 257335147 YIWDTIATRRGINV-OAHLLOKOSA-N 300.362 1.792 0 40 DDAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC(C(N)=O)C1 257318724 VPCNISVJZKRDLO-UHFFFAOYSA-N 319.361 1.815 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)on1 257277032 NWEUAIKIHXSOFP-GFCCVEGCSA-N 318.377 1.820 0 40 DDAB O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)C1CCCCC1 257307836 TUIKGJVTPMINHP-INIZCTEOSA-N 304.394 1.114 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(CN)COC 252514986 FQJUQKKVUJOQFL-MCIONIFRSA-N 317.838 1.832 0 40 DDAB O=C(CCc1cccs1)N1CC[C@@](O)(CN2CCCC2)C1 257314566 UXMJCDWDABEJOW-MRXNPFEDSA-N 308.447 1.740 0 40 DDAB Cn1ncnc1NS(=O)(=O)c1ccc2c(c1)CCCC2=O 294923213 CMYMEMFMIRELOY-UHFFFAOYSA-N 306.347 1.135 0 40 DDAB Cc1cccc2c1N(C(=O)CCSc1nnnn1C)CCC2 390834599 HNAJGUKCPHHVME-UHFFFAOYSA-N 317.418 1.980 0 40 DDAB O=C(CC[C@H]1CCCO1)NCc1cccnc1-n1cncn1 47122378 UKTQINAAONDKAY-CYBMUJFWSA-N 301.350 1.238 0 40 DDAB CCOCCN1CCN(C[C@H](O)c2ccc(OC)cc2)CC1 72279841 HOKJSLXPBKOCHL-KRWDZBQOSA-N 308.422 1.383 0 40 DDAB CCc1nn(CC(=O)NC2CC2)c(=O)c2cc3occc3n12 5149372 KYPQDSFMXPDBLF-UHFFFAOYSA-N 300.318 1.083 0 40 DDAB O=C(NCSC1=NCCS1)NCSC1=NCCS1 5600172 IDESWYGLBHRQIS-UHFFFAOYSA-N 322.506 1.873 0 40 DDAB CCN(Cc1cn(CC)nc1C)C(=O)c1c(C(=O)O)cnn1C 12357954 SNTDDQONNXRHET-UHFFFAOYSA-N 319.365 1.305 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](C(N)=O)C1 13095366 ILKLCJITWLSUED-NSHDSACASA-N 309.797 1.784 0 40 DDAB NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 19342937 GLENBECKHKEKOW-UHFFFAOYSA-N 316.338 1.190 0 40 DDAB C[C@H](C(=O)N[C@](C)(CO)C1CCCCC1)N1CCSCC1 153060339 QQHWCOIFNDHVMW-CZUORRHYSA-N 314.495 1.871 0 40 DDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2cnoc2C)C1 225495727 WLFBQHJINQRRES-NSHDSACASA-N 318.333 1.465 0 40 DDAB Cc1cc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)no1 225566963 XEOAEYXOLCLFEC-ZDUSSCGKSA-N 309.435 1.930 0 40 DDAB OC1=NC(c2ccccn2)=NN[C@]12CC(c1ccccc1)=NN2 36390472 ZYQKKWDOUSOTHB-MRXNPFEDSA-N 306.329 1.397 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(N)n1 3620710 VZAYKKGTVNWRKI-UHFFFAOYSA-N 313.770 1.780 0 40 DDAB O=C(c1cncc(F)c1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888843211 CIHCEJKTOBLHAK-STQMWFEESA-N 313.336 1.219 0 40 DDAB NC(=O)COc1cccc(NC(=O)c2cnc3ccccc3n2)c1 30945174 UGEHSPGUCIKWOO-UHFFFAOYSA-N 322.324 1.746 0 40 DDAB CCCOc1ccccc1OCc1nc(N)nc(N(C)C)n1 40475835 NANBZBXZXBDBOV-UHFFFAOYSA-N 303.366 1.888 0 40 DDAB O=C(C1CC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@@H]2CC1 2055746051 FJIDKYYMKYJVFD-SJORKVTESA-N 315.417 1.683 0 40 DDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CCC2)C1 2055751000 WQUYDUOAYNUPGQ-QGZVFWFLSA-N 319.380 1.755 0 40 DDAB O=C1NC[C@@H]2CN(C(=O)c3cnc(Cl)cc3Cl)C[C@H]12 2055773096 VSXKQKDXDVBFME-SVRRBLITSA-N 300.145 1.206 0 40 DDAB CC(C)(C)OC(=O)N1CC(n2cnc3ncccc3c2=O)C1 1775974736 NQQLGEJXCWRHRK-UHFFFAOYSA-N 302.334 1.583 0 40 DDAB Cn1nc(C(=O)N2CC[C@H](n3cnc4ccccc43)C2)ccc1=O 575618958 YCENYTMRCWPURG-LBPRGKRZSA-N 323.356 1.217 0 40 DDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc(Cl)s1 206889585 NLXSIVJRYHFPHW-SECBINFHSA-N 312.778 1.354 0 40 DDAB COc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1 40086731 OBEZBESOYJPGDA-UHFFFAOYSA-N 324.358 1.791 0 40 DDAB O=C(Cc1ccc2c(c1)CCCC2)NCc1nnc2n1CCC2 40490018 KIBBCLZBQTXUSV-UHFFFAOYSA-N 310.401 1.962 0 40 DDAB COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40488071 BOXGBOJEJCYVSF-SNVBAGLBSA-N 301.339 1.093 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 40596994 NWJBKSILGIBWGO-JTQLQIEISA-N 304.362 1.585 0 40 DDAB Cc1nnc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)s1 40526526 HFKWWMAIEZCVSL-LLVKDONJSA-N 313.427 1.325 0 40 DDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cccc(F)c1 40553266 HJTPGPITYRUXAT-UHFFFAOYSA-N 312.322 1.935 0 40 DDAB OCCN1CCN(Cc2ccc(Cl)c3cccnc23)CC1 51210576 YLQZSIFDIJBZAZ-UHFFFAOYSA-N 305.809 1.998 0 40 DDAB COc1ccc(-c2nnc(SCC(=O)N(C)C)n2C)cc1 1332830 HBSVYSYUCVPTIC-UHFFFAOYSA-N 306.391 1.671 0 40 DDAB CCOc1ccccc1-n1nnnc1S[C@@H]1C[C@@H](C)OC1=O 32736396 YOZFIACTNIUADQ-BXKDBHETSA-N 320.374 1.857 0 40 DDAB COCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)oc2ccccc12 41127533 VXYXXWWCHUMTOQ-SNVBAGLBSA-N 302.330 1.527 0 40 DDAB Cc1cn2nc(NCCC(=O)N3C[C@H](C)O[C@H](C)C3)sc2n1 52445350 RJOIHSXRONVYRW-PHIMTYICSA-N 323.422 1.537 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(O)cc1O 3529501 GFOBGAOVBSNXHE-GXFFZTMASA-N 307.346 1.950 0 40 DDAB CC(C)OCc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)cc1 69818350 SJCQVHMEXLDBEV-HNNXBMFYSA-N 320.433 1.750 0 40 DDAB CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6326373 RNNZHCHORVRWSZ-JTQLQIEISA-N 318.826 1.779 0 40 DDAB O=C(CCc1nc(-c2ccsc2)no1)NC[C@@H]1CCOC1 41372140 JHLCRPSKYDQLHQ-JTQLQIEISA-N 307.375 1.883 0 40 DDAB Cc1cccc([C@H](CC(=O)NC[C@@H]2CCOC2)NC(N)=O)c1 41365757 CWQJHGLWGZTVQT-JSGCOSHPSA-N 305.378 1.247 0 40 DDAB O=C1CC[C@H](CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)N1 87354506 DCQPQXNKZSOHKO-LLVKDONJSA-N 318.764 1.739 0 40 DDAB CC(C)n1ccc(CN2CCO[C@H](CNc3cccnn3)C2)n1 78893556 WDXDFGNNRFQLBC-OAHLLOKOSA-N 316.409 1.567 0 40 DDAB CCn1c(CNC(=O)C(C)(C)NC(=O)NC)nc2ccccc21 53128482 ZFOUCQUMBZCAGI-UHFFFAOYSA-N 317.393 1.380 0 40 DDAB Cc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1 9315667 HNDKJGKEANFQEO-UHFFFAOYSA-N 313.313 1.487 0 40 DDAB O=C(NCCCn1cncn1)c1csc(Br)c1 41863132 CCFFREALUVFIOK-UHFFFAOYSA-N 315.196 1.922 0 40 DDAB CCCc1nc(CNC(=O)c2ccc(OC)c(OC)c2)no1 9974819 UMBXZRROPDPEFN-UHFFFAOYSA-N 305.334 1.969 0 40 DDAB CN(CC1CC1)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 76088282 OSJQSDGWTPJLRY-UHFFFAOYSA-N 310.419 1.684 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 76055878 HTNIZTDCVTXGBT-QAPCUYQASA-N 301.434 1.671 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)C3(CCCC3)N=C2O)n1 12545302 SNYCVFNCHSTMME-UHFFFAOYSA-N 302.334 1.398 0 40 DDAB O=C1NCCC[C@@H]2c3cc(O)ccc3O[C@@]12N1CCCCC1 55246646 OWZTXJOOQNXRBC-RHSMWYFYSA-N 302.374 1.960 0 40 DDAB biogenic Cc1n[nH]c([C@@H]2CN(C(=O)CC[C@H]3CCCCO3)CCO2)n1 76044830 AQHFHBJKISSLNY-OLZOCXBDSA-N 308.382 1.362 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccc(OCC(F)(F)F)nc1 24981105 JMHBRTSCIHFKJO-SNVBAGLBSA-N 304.268 1.932 0 40 DDAB c1ccc(-n2nnnc2N2CCN(Cc3ccccn3)CC2)cc1 12516780 IYYODRFZJLMXHQ-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 106869277 HYKNQHVRCMNXCF-WDEREUQCSA-N 300.834 1.269 0 40 DDAB Cc1cccc(NC(=O)NCC(=O)N(C)Cc2cnn(C)c2)c1 25304039 HYTWZTNFRKUEOR-UHFFFAOYSA-N 315.377 1.509 0 40 DDAB NC(=O)[C@@H]1CCN(CCOc2ccc(Br)cc2)C1 48034362 UQFMMBMDJADUFE-SNVBAGLBSA-N 313.195 1.635 0 40 DDAB COC(=O)c1c(C(=O)OC)n(CCCN)c2ccc(C)cc12 1877746 JOLLLVCKFLZDBC-UHFFFAOYSA-N 304.346 1.872 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 106809890 VNFXCDFLBWDROW-KGYLQXTDSA-N 323.320 1.815 0 40 DDAB CC[C@H](C)[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(N)=O 72290077 RBFBNVKOYFCPBT-ZBEGNZNMSA-N 315.373 1.900 0 40 DDAB Cn1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc21 44720168 BOVYIKAUOOZQLL-NSHDSACASA-N 306.387 1.343 0 40 DDAB CCCc1noc(CN2CCN(CC(=O)N[C@@H](C)CC)CC2)n1 44744111 CIRWPQVDNCUZNP-ZDUSSCGKSA-N 323.441 1.054 0 40 DDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1ccncc1 44716478 NWHFCQLEILZLJK-AAEUAGOBSA-N 313.423 1.223 0 40 DDAB O=C(Cn1ccccc1=O)N1CCN(Cc2ccsc2)CC1 44872836 FFSVLEXBGPITQR-UHFFFAOYSA-N 317.414 1.254 0 40 DDAB Cc1cc(=O)n2nc(NC[C@H]3CCN(C4CC4)C3)sc2n1 44933858 FBZHAZLYPBTJKR-SNVBAGLBSA-N 305.407 1.356 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 28336189 VXMXRKWRLTVFOU-QWRGUYRKSA-N 320.393 1.530 0 40 DDAB CC[C@H](NC(=O)N1CCc2ccccc21)C(=O)N1CCOCC1 83995742 WAAWCVLWPPIRBZ-AWEZNQCLSA-N 317.389 1.396 0 40 DDAB COc1ccc(C2(C(=O)NCCCC(N)=O)CCCC2)cc1 58806682 KHDHQEUGTUVUAU-UHFFFAOYSA-N 304.390 1.889 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@H]2c2noc(C)n2)CCC1=O 72299068 CGCMOFVZTVAPBV-NSHDSACASA-N 305.338 1.040 0 40 DDAB CS(=O)(=O)/N=C(\O)c1ccc(CN2CCCCC2=O)cc1 48487113 GKGWSQZODTXZSE-UHFFFAOYSA-N 310.375 1.463 0 40 DDAB CC1(C)NC(=O)N(CCC(=O)NCc2ccccc2F)C1=O 8723635 VHBYFBRHIOACDS-UHFFFAOYSA-N 307.325 1.162 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 71870737 YCVRTJQQNCHKRQ-CQSZACIVSA-N 314.389 1.622 0 40 DDAB COc1cccc2sc(NC(=O)c3ccc(=O)n(C)n3)nc12 8881740 OOPJMDKGNSZKOJ-UHFFFAOYSA-N 316.342 1.651 0 40 DDAB Cc1ccc(NCCNC(=O)c2ccc3c(c2)OCCO3)nn1 71803299 DJPORDNJCQFECC-UHFFFAOYSA-N 314.345 1.398 0 40 DDAB Cc1c(CC(=O)NCCC(=O)O)c(=O)oc2c(C)c(O)ccc12 4064637 AGFBGMSPOMHDRS-UHFFFAOYSA-N 319.313 1.249 0 40 DDAB biogenic CNS(=O)(=O)CCN(Cc1ccncc1)C(=O)C(C)(C)C 9061208 RTSYWMGRFCFJGO-UHFFFAOYSA-N 313.423 1.006 0 40 DDAB COc1ccc(C)cc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 5489235 DLYZYRQFUFVMTH-JQWIXIFHSA-N 312.416 1.657 0 40 DDAB O=C(N1CCOCC1)N1CC(n2cc(-c3ccccc3)nn2)C1 96000464 IJYFTKBQCFHOJE-UHFFFAOYSA-N 313.361 1.254 0 40 DDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1 7307203 CTPKTUJPACTOOW-NSHDSACASA-N 324.383 1.190 0 40 DDAB Cc1cc(C)c(CNC(=O)CCn2c(C)csc2=O)c(=O)[nH]1 16512994 YMFCEYRSFNIDIH-UHFFFAOYSA-N 321.402 1.230 0 40 DDAB CN(C)c1nc(NC(C)(C)C)nc(Oc2ccc(=O)[nH]n2)n1 9424875 UZGDMQLZPASCPS-UHFFFAOYSA-N 305.342 1.024 0 40 DDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc[nH]1 8401648 PKWXSKQMVRPNSB-JTQLQIEISA-N 307.375 1.495 0 40 DDAB C[C@H](C(N)=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 69595148 WNXPBQZTJJWLFW-CYBMUJFWSA-N 311.389 1.139 0 40 DDAB Cc1cc(-n2nc(C)cc2NC(=O)Cc2ccon2)nc(C)n1 96482573 YWUZBAYUUFIVDP-UHFFFAOYSA-N 312.333 1.757 0 40 DDAB Cc1cccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 84210703 SYZXJUYGRIEEPH-IRXDYDNUSA-N 302.418 1.595 0 40 DDAB O=C(CN1CCn2ccnc2C1)N[C@@H]1CCCc2ccccc21 97201610 LGPPFYPPWMPJTL-MRXNPFEDSA-N 310.401 1.893 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900224 FXVYLUNELLARCQ-SNVBAGLBSA-N 316.361 1.684 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C(N)=O 78904157 MXWDBCKFVOUYIL-QWRGUYRKSA-N 300.355 1.066 0 40 DDAB CCCCc1nc(CN2CCO[C@@H](c3nc(CC)n[nH]3)C2)no1 84746889 UFVKGBNKMRDZRW-LLVKDONJSA-N 320.397 1.666 0 40 DDAB CC(=O)NCCNS(=O)(=O)Cc1ccc2ccccc2c1 95452567 DAXSERUUEFRYQI-UHFFFAOYSA-N 306.387 1.395 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cn1 95404114 KQMLHRTYDABIAP-YJBOKZPZSA-N 324.384 1.601 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)N=c3[nH]cc[nH]3)C2)n1 79482463 WYSCZMJYFLAPRP-LBPRGKRZSA-N 300.366 1.094 0 40 DDAB Cc1ccn2cc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)nc2c1 95957934 VFGYSKQRLLAYEM-GFCCVEGCSA-N 310.361 1.287 0 40 DDAB Cc1ncc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)[nH]1 89497040 HDKFIDOYYCIYFW-UHFFFAOYSA-N 305.315 1.625 0 40 DDAB Nc1nccnc1C(=O)Nc1cccn(Cc2ccccc2)c1=O 89841077 HFBXUDHJWLXZAI-UHFFFAOYSA-N 321.340 1.521 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2CC(=O)NC[C@@H]2CCOC2)no1 75581780 INTNUUIPFWLBAF-STQMWFEESA-N 322.409 1.483 0 40 DDAB CCCN1C(=O)N/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 409249269 JZTLQBFJNURVJR-UXBLZVDNSA-N 306.318 1.712 0 40 DDAB O=C(c1cc2ccc(F)cc2s1)N1CC[C@H](NCCO)C1 1019106230 FNMOIGRIKPOFQF-LBPRGKRZSA-N 308.378 1.837 0 40 DDAB C[C@H](CNCC1CN(S(C)(=O)=O)C1)c1cccc(Cl)c1 188591581 AGUZDESUVKBNNI-LLVKDONJSA-N 316.854 1.925 0 40 DDAB CN1CCN(C(=O)[C@H](c2ccccc2)C2(O)CCCC2)CC1 31689409 KZUQINWUNHPGFL-INIZCTEOSA-N 302.418 1.849 0 40 DDAB NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218627048 JIXOLIWQMNRVJR-JYJNAYRXSA-N 320.389 1.422 0 40 DDAB CN1C[C@@H](c2cc(=O)[nH]c(NCc3cccs3)n2)CC1=O 72391139 VHTQSSCROXMLSG-VIFPVBQESA-N 304.375 1.389 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cccnc2)o1 72241080 XSOUAFHHCCXBMH-HNNXBMFYSA-N 313.357 1.790 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nncn1C1CC1 78603833 JEFRIUATDFJRIJ-QHHAFSJGSA-N 312.329 1.671 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CN2CCC[C@H](CO)C2)cc1 72202890 IJQMEOVWYRVHAF-AWEZNQCLSA-N 312.435 1.141 0 40 DDAB CCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1 72239046 GTDYWZDJDHZVDD-UHFFFAOYSA-N 315.424 1.735 0 40 DDAB CC[C@@H](C(=O)Nc1cnc2onc(C)c2c1)N1CCCC1=O 81317267 RSBGONYQLAJSRP-LBPRGKRZSA-N 302.334 1.871 0 40 DDAB Cc1csc(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)n1 44450477 CXKICYRECPDHLA-SECBINFHSA-N 315.358 1.756 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 45574372 TYNGOKZVIKTSBF-LLVKDONJSA-N 314.382 1.315 0 40 DDAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccno1 225584603 DQNBKUXSORTTQC-AWEZNQCLSA-N 304.327 1.995 0 40 DDAB CNC(=O)NC1CCN(c2ccnc(N3CCCCC3)n2)CC1 571888226 VFEAGYLHKONOFD-UHFFFAOYSA-N 318.425 1.365 0 40 DDAB Cc1noc([C@@H]2CCN(C(=O)N[C@H]3C[C@@H](OC(C)C)C3)C2)n1 333548917 FHZNHFFMLHGTAN-UPJWGTAASA-N 308.382 1.833 0 40 DDAB CO[C@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1cnn(C)c1 96200600 NCFJYWSHHMYCHB-STQMWFEESA-N 306.391 1.349 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 97953804 SUJJDKVWWVQPNV-USXIJHARSA-N 300.402 1.945 0 40 DDAB Cc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@@H]2C1 96209152 CKQUMDSUQMRVSS-RWMBFGLXSA-N 309.435 1.519 0 40 DDAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)ccn1 96412724 LWTMBSPPGCBYIA-LBPRGKRZSA-N 323.824 1.966 0 40 DDAB O=C1C[C@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1cccnc1 96239119 TXUFYDWCKUOJMX-HNNXBMFYSA-N 321.402 1.003 0 40 DDAB Cc1nc2c(cc1C(=O)O)CCN(C(=O)c1cnccn1)CC2 96067471 GEUACWZZWUBQQU-UHFFFAOYSA-N 312.329 1.119 0 40 DDAB C[C@@H]1CO[C@H](CO)CN1C(=O)Cc1csc(-c2ccoc2)n1 96486940 HDJPREMMNTYOSH-MFKMUULPSA-N 322.386 1.554 0 40 DDAB O=C(Cn1cncn1)N[C@H]1CCCN(c2ccccc2Cl)C1 96423032 MDIHXTABPXIUCS-LBPRGKRZSA-N 319.796 1.717 0 40 DDAB Cn1cc(CC(=O)NCCNc2ccc3ccccc3n2)cn1 96436733 CTOZECFKPWHPFV-UHFFFAOYSA-N 309.373 1.739 0 40 DDAB Cc1ccc([C@H](CNC(=O)c2cc(C)on2)OCCO)cc1 96337545 IWIUAMGKMSOZHR-HNNXBMFYSA-N 304.346 1.771 0 40 DDAB Cc1nnc(N2CC3(C2)OCC[C@H]3COc2cccnc2)s1 248003408 GHXLUPYWAFYIMJ-LBPRGKRZSA-N 318.402 1.916 0 40 DDAB CN1c2ccccc2O[C@@H]2C[C@@H](CNc3ncccn3)[C@@H](O)[C@@H]21 257299985 RSKSQBAXNIUEBJ-AEAUEXCSSA-N 312.373 1.535 0 40 DDAB CC(C)c1cc(C(=O)N2C[C@@H]3OCC(=O)N(C)[C@H]3C2)cs1 257212623 CEGVHWBRBMQUBD-RYUDHWBXSA-N 308.403 1.553 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257343168 ZRTFSPPXCADYIH-CYBMUJFWSA-N 304.350 1.466 0 40 DDAB CC(=O)N1CCC(N2CCN(C)[C@H](c3ccccc3)C2)CC1 257290239 QCDAFJKYYLJMSG-SFHVURJKSA-N 301.434 1.986 0 40 DDAB COCC(=O)N1CCC[C@H]1c1cnc(-c2cc(C)n[nH]2)cn1 257271136 MXADSAIALGQKSI-AWEZNQCLSA-N 301.350 1.485 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CN1CCC(C)CC1 257311484 UJRAFJOQVBCWFT-AWEZNQCLSA-N 306.410 1.350 0 40 DDAB c1cn(-c2cncc([C@@H]3CCCN(Cc4c[nH]cn4)C3)n2)cn1 257333084 YABRSSAXGWAZTM-CYBMUJFWSA-N 309.377 1.765 0 40 DDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccno2)n1 257252370 JUPADVFFVOTRLC-CYBMUJFWSA-N 315.333 1.078 0 40 DDAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(N2CCOC2=O)n1 257248808 JFHBNHDLLQUZHK-NSHDSACASA-N 320.349 1.052 0 40 DDAB c1cn(C[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)cn1 253476829 BOPKJIKXOJLDEX-ULQDDVLXSA-N 305.422 1.789 0 40 DDAB CN(C)C[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 585095380 SZSMJHUMFSHUAO-CQSZACIVSA-N 300.362 1.347 0 40 DDAB O=C(c1ccnnc1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099097 LYYVAAVSIZZUHX-HNNXBMFYSA-N 313.361 1.124 0 40 DDAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 54417932 FFIKBSCJFJOSOQ-JTQLQIEISA-N 315.352 1.989 0 40 DDAB CS(=O)(=O)c1cccc(OCC(=O)N2CCSCC2)c1 53819416 CLUPZNRQSNTMLY-UHFFFAOYSA-N 315.416 1.044 0 40 DDAB Cc1ccc(OC[C@H](C)NC(=O)Cn2cccnc2=O)cc1 58343313 MKKTVDCBVBCWLJ-ZDUSSCGKSA-N 301.346 1.135 0 40 DDAB O=C(NCc1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 1565522408 HLQVXVVCPHCHGX-MRXNPFEDSA-N 303.406 1.693 0 40 DDAB O=C([C@H]1CCOC1)N1Cc2ccccc2OC2(CCOCC2)C1 12121787 AYXWUVUWBJEFPW-HNNXBMFYSA-N 317.385 1.993 0 40 DDAB Cn1c(=O)c2c(nc(OCCC3CCCCC3)n2C)n(C)c1=O 17420205 CSYRACNBNGNXBQ-UHFFFAOYSA-N 320.393 1.320 0 40 DDAB COCCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937572 JYQWADMNJOAMJJ-UHFFFAOYSA-N 321.764 1.395 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169296472 QSQNZABPAGTEFF-WVGQAWGZSA-N 315.325 1.919 0 40 DDAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2nnn(C)c2C)c1C 560880303 LOGZTQVNJZGXTF-UHFFFAOYSA-N 324.362 1.239 0 40 DDAB Cn1c(N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)nc2ccccc21 1888881831 FGSCPLHNRZRHEI-OKILXGFUSA-N 320.400 1.936 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ncnc3sccc23)CCO1 1889085885 CUWKWTMRKIIHKC-NSHDSACASA-N 304.375 1.175 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@@H]2C1 1565553831 KYEDKQFYFDMPNP-ZSOGYDGISA-N 308.422 1.301 0 40 DDAB O=C1CC2(CCN(C(=O)c3csnn3)CC2)CN1CC1CC1 1565551587 IBLHKHIBEGERFL-UHFFFAOYSA-N 320.418 1.403 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)CC[C@H]2C1 1565552922 DHDSGAQLURBCRP-XJKSGUPXSA-N 319.405 1.735 0 40 DDAB COC(=O)[C@@]1(C(F)(F)F)CC(C)=CCN1S(C)(=O)=O 2601307 PPJXZZLEACOVSM-SECBINFHSA-N 301.286 1.072 0 40 DDAB O=C(NCc1ccncc1)c1nc(-c2ccc3c(c2)OCO3)no1 4623883 KYAZQCASRCIENV-UHFFFAOYSA-N 324.296 1.790 0 40 DDAB Fc1cnc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)nc1 2086861152 NELKIDHQLSWWKS-QWRGUYRKSA-N 303.316 1.722 0 40 DDAB Cc1nccc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889330 KAAUYPXUKUKERU-LBPRGKRZSA-N 310.423 1.178 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(CCC(F)(F)F)C1)C1CC1 2086861370 IJISIBMOHASRTA-SECBINFHSA-N 300.346 1.485 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@H]1C(=O)NC[C@H]1C(C)(C)C 585149702 KCQWPOVILAKWFZ-NXEZZACHSA-N 324.402 1.882 0 40 DDAB Cc1ccccc1OS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 41091375 SBPAMFGZNJFYGJ-UHFFFAOYSA-N 304.327 1.932 0 40 DDAB C[C@@H](N)C(=O)N1Cc2ccccc2O[C@]2(CCCN(C)CC2)C1 72394790 YCNQXHSTPRIQLA-KDOFPFPSSA-N 317.433 1.609 0 40 DDAB NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O 40176867 NSBFJNSMTCDZHF-UHFFFAOYSA-N 307.309 1.879 0 40 DDAB biogenic NC[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 50246599 GFGVIUKYWKFQQL-VIFPVBQESA-N 319.224 1.418 0 40 DDAB CC(=O)N1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 40475962 CTWKZAFDGMXXNX-ZDUSSCGKSA-N 321.425 1.345 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H]1Cc2ccccc2O1 40553166 ADQZMMLDIQNRDN-INIZCTEOSA-N 321.340 1.913 0 40 DDAB c1ccc2c(c1)nc(NCCCN1CCOCC1)c1nncn12 20567614 JPWLIJXFBQJWPH-UHFFFAOYSA-N 312.377 1.412 0 40 DDAB Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cn[nH]n1 97011331 ZYWUOILSSXFNBN-UHFFFAOYSA-N 303.347 1.689 0 40 DDAB CN(C(=O)C1=NN(c2ccccc2)C(=O)CN1)C1CCCCC1 32941744 FONPNYXLSLNHQD-UHFFFAOYSA-N 314.389 1.727 0 40 DDAB O=C(O)[C@@H]1[C@@H]2c3ccccc3[C@@H](O)[C@@]1(C(=O)O)c1ccccc12 4536725 FITUJGMJDXXJQY-BASYENTBSA-N 310.305 1.902 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1C(C)C 4778620 SXDVXOKDKVKNAP-HNNXBMFYSA-N 310.419 1.912 0 40 DDAB CC(C)[C@@H](O)C(C)(C)CNC(=O)NC[C@H]1CCN(C2CC2)C1 95436860 JKAJYMXVSXEPAW-UKRRQHHQSA-N 311.470 1.813 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)nc2)cc1 7323473 YPDCLNKFZRERAB-UHFFFAOYSA-N 322.342 1.678 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(OC)c(OC)c1 33210158 XDZADUKQIGHMTF-LBPRGKRZSA-N 306.362 1.445 0 40 DDAB CC[C@@]1(C)Cc2c(sc3c2c(=O)n(C)c2nncn32)CO1 506596 XYAFKMHNZMBPNL-AWEZNQCLSA-N 304.375 1.884 0 40 DDAB CC1(C)Cc2cc(C=C3C(=O)NC(=S)NC3=O)ccc2O1 10298686 ZHTVHYLRHAHOCK-UHFFFAOYSA-N 302.355 1.314 0 40 DDAB CCNC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 8346117 LWHKTYLSMQWCGR-UHFFFAOYSA-N 316.716 1.411 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cccc3[nH]ccc23)C1 97051802 ZNJJXOMLSBMEFF-ZDUSSCGKSA-N 307.419 1.682 0 40 DDAB Cc1ccc2c(c1)CCCN2CC(=O)N(C)CC(=O)NC1CC1 12563941 ZTDIKUCWLFRIED-UHFFFAOYSA-N 315.417 1.485 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc12 42733714 UWLHEZHTKKTGLA-KOLCDFICSA-N 315.377 1.003 0 40 DDAB Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)no1 12557522 UJHKEGFXJUEPQZ-UHFFFAOYSA-N 300.362 1.987 0 40 DDAB Cc1cccc(OCCC(=O)NCCNC(=O)C(C)C)c1C 24751596 IJQMMFLMHQDPCP-UHFFFAOYSA-N 306.406 1.961 0 40 DDAB Cc1cnc(C(=O)N2CCN(CCc3cccs3)CC2)cn1 55642618 NTGUBSHXXLXCHI-UHFFFAOYSA-N 316.430 1.847 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccsc1C(=O)O)c1ccncc1 35126611 KCDSGIMKNIQTGX-MRVPVSSYSA-N 312.372 1.881 0 40 DDAB in-vitro CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2C)CC1 57293279 QDDFMSDKSIQIFX-AWEZNQCLSA-N 318.421 1.351 0 40 DDAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cncc(F)c1 44260572 DCPBHGLOGUEPKE-UHFFFAOYSA-N 314.269 1.859 0 40 DDAB CN1C[C@H](NC(=O)Nc2cc(CC(C)(C)C)nn2C)CCC1=O 72292061 JMBNXNLOJUWGNY-LLVKDONJSA-N 321.425 1.751 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)NC[C@H](C)N1CCOCC1 48162698 QQYBXDMIVBRRGL-GJZGRUSLSA-N 306.406 1.429 0 40 DDAB C[C@H](N[C@@]1(C)CCS(=O)(=O)C1)C(=O)Nc1ccccc1F 58102362 IRCVEHPTKGJGAS-HZMBPMFUSA-N 314.382 1.320 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 44891083 LXBMUUFNMXGKSE-NXEZZACHSA-N 316.810 1.887 0 40 DDAB Cc1noc(C)c1NC(=O)Cn1c(=O)n(C)c2ccccc21 58293014 JAKLPFGBHJAFOW-UHFFFAOYSA-N 300.318 1.584 0 40 DDAB Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)n1C 23574318 VRMZTZDYVNLGRW-UHFFFAOYSA-N 306.387 1.667 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100177754 VITPGSWQMNLWRH-XQQFMLRXSA-N 313.442 1.922 0 40 DDAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1nnc2n1CCC2 44934464 OYDHSYGGPIWTCX-GWCFXTLKSA-N 314.345 1.242 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCCCNC2=O)on1 44968112 KATDPDYENQAFED-NWDGAFQWSA-N 306.366 1.498 0 40 DDAB C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1 44910995 QMUQKKPUWHYBKQ-SMDDNHRTSA-N 304.325 1.578 0 40 DDAB O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CC(O)=Nc2nncn21 44902442 CCZVIVICTHNIKT-MRVPVSSYSA-N 311.223 1.867 0 40 DDAB CN1CCO[C@H](CNC(=O)Cc2coc(-c3ccccc3)n2)C1 58332506 BEDKQUYAHMGRNN-OAHLLOKOSA-N 315.373 1.331 0 40 DDAB Cc1cc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)no1 58393271 MUWSWLHAKXWEDN-NFAWXSAZSA-N 309.410 1.733 0 40 DDAB O=C1CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CCN1 12744707 IUKCNQGHAUCEAP-UHFFFAOYSA-N 306.321 1.470 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21 2331582 NKBHSMIJJQRLMN-UHFFFAOYSA-N 319.342 1.005 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)n1 36617534 HZDWOOAVLYQGHY-UHFFFAOYSA-N 308.382 1.157 0 40 DDAB COc1cc(CNC(=O)N2CCC[C@H](N3CCCC3)C2)ccn1 48303280 NZCJSUUSLHRFBT-HNNXBMFYSA-N 318.421 1.860 0 40 DDAB O=C(NC1=NCCS1)[C@@H]1CCCN(C(=O)c2ccco2)C1 36724912 AOTIJUXMOOFYQE-SNVBAGLBSA-N 307.375 1.351 0 40 DDAB CC(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)N1CCOCC1 48333540 ZJVGCQGUUZLKQF-NVXWUHKLSA-N 318.417 1.463 0 40 DDAB C[C@H](NC(=O)Cn1nc(-c2ccco2)oc1=O)c1ccccc1 12917145 YRSPCRQDKOZHFY-NSHDSACASA-N 313.313 1.974 0 40 DDAB COc1ccccc1CNC(=O)c1nn(C)c(=O)c2ccccc12 3609122 LUNZGDOCFDYBDH-UHFFFAOYSA-N 323.352 1.872 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)c1 71185760 GNCYTNGIZCFUOS-CQSZACIVSA-N 302.382 1.427 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@H]1C(=O)O 71282945 IIPLLTFRYQHRGG-OLZOCXBDSA-N 314.345 1.622 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@@H](C)C1)C2=O 4308958 YRGYULRTPKKTRM-IGCXYCKISA-N 321.421 1.746 0 40 DDAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC2CC2)C1=O 5341853 OJLINVILWHNGJA-KRWDZBQOSA-N 315.373 1.208 0 40 DDAB O=c1oc(-c2ccco2)nn1Cc1cc(=O)n2ccsc2n1 14158259 JOLDAZVASDHXSK-UHFFFAOYSA-N 316.298 1.214 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)CNC(=O)C(C)(C)C)c1C 14197590 HEUQGILLZBEAAQ-UHFFFAOYSA-N 319.405 1.520 0 40 DDAB O=C(c1ccc[n+]([O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 14245275 YAFJEDGEJOLEOI-XBXARRHUSA-N 323.396 1.791 0 40 DDAB CC[C@@H](NC[C@H](O)Cn1cc(C=O)c2ccccc21)C(=O)O 5521149 XMDUUIUMKBBMIH-GXTWGEPZSA-N 304.346 1.268 0 40 DDAB Cc1nnc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)s1 5617071 JKVXIIRNSCJGRQ-UHFFFAOYSA-N 315.358 1.968 0 40 DDAB COC(=O)C1(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)CC1 97146453 ANTXUCAXIMRBGB-CYBMUJFWSA-N 308.422 1.853 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Cl)cc1 9304230 AWCLBMAXDNHSNA-VHSXEESVSA-N 302.808 1.200 0 40 DDAB CCOC(=O)[C@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 6999260 WWQIIUMMCMIRQO-LBPRGKRZSA-N 304.346 1.827 0 40 DDAB O=C(NCCCNC(=O)c1cccnc1Cl)c1cnccn1 7871506 RDFQHZRTGAOBBF-UHFFFAOYSA-N 319.752 1.075 0 40 DDAB NC(=O)C1CCN(CCCNC(=O)c2ccc(Cl)o2)CC1 69351804 VETSHIGRCZYYJO-UHFFFAOYSA-N 313.785 1.250 0 40 DDAB NC(=O)c1csc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 69377906 RRZMKQSFJXRGFQ-LLVKDONJSA-N 304.375 1.521 0 40 DDAB C[C@H](CNC(=O)CCCc1ccccc1)N1CCN(C)CC1 71867404 PQROBDZPPHKZMW-MRXNPFEDSA-N 303.450 1.761 0 40 DDAB Cc1ccc2nc(CN3CCc4cnc(C)nc4C3)cc(=O)n2c1 69443051 WTYBXTOUIDUXQO-UHFFFAOYSA-N 321.384 1.660 0 40 DDAB COCCn1ccc(NC(=O)CSc2nc(C)cc(C)n2)n1 69454819 AXSHDADNDZCJFK-UHFFFAOYSA-N 321.406 1.667 0 40 DDAB Cc1cnn(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 71829961 FWUNYVZKRGBDSI-UHFFFAOYSA-N 317.393 1.141 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 71870801 SWCXVXOBZQXHSH-HUUCEWRRSA-N 320.437 1.330 0 40 DDAB COc1cccc(-c2nnn(Cc3nnc(C4CC4)n3C)n2)c1 69592797 BINOFDQEMRIGBZ-UHFFFAOYSA-N 311.349 1.403 0 40 DDAB CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1c1cccs1 69585820 YWNAJFQAQNYKKG-LBPRGKRZSA-N 310.419 1.907 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N[C@H](C)Cc1cnccn1 20534232 URYXOQVZSBWAHR-IUODEOHRSA-N 324.384 1.958 0 40 DDAB CCc1noc(CN2CCCC[C@@H]2Cn2nc(C)nc2C)n1 69620738 HCYHAEGPEZLRME-CYBMUJFWSA-N 304.398 1.895 0 40 DDAB O=C(Cc1ccccc1)NCCNS(=O)(=O)C1CCCCC1 69632008 JRZYGCSCCXKURJ-UHFFFAOYSA-N 324.446 1.597 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1O 71882447 WAIHGWPQSTXMJR-QMMMGPOBSA-N 303.145 1.707 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](Cn3cncn3)C2)no1 69840720 GBHQLMWJHCXVTQ-STQMWFEESA-N 318.381 1.314 0 40 DDAB Cc1nc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)no1 95467598 XPDPSTDGTJYKRE-UHFFFAOYSA-N 313.243 1.471 0 40 DDAB CN(C)c1ccc(C(=O)OCCn2ccccc2=O)c(F)c1 95433653 XEGULLIUMBQECN-UHFFFAOYSA-N 304.321 1.910 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)c2nccn3ccnc23)C12CCC2 95404710 AJLYSZIFBWGNQN-RYUDHWBXSA-N 300.362 1.807 0 40 DDAB CCc1ccc([C@H]2COCCN2C(=O)CN2CCCOC2=O)o1 79055448 IZHDPTCSSALHKU-CYBMUJFWSA-N 322.361 1.584 0 40 DDAB O=C(CNC1(CCO)CCOCC1)Nc1ccc(F)cc1F 95976163 SEMOXSURAJZORN-UHFFFAOYSA-N 314.332 1.425 0 40 DDAB NC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 74629980 LVNBYWJYCGORDN-UHFFFAOYSA-N 307.313 1.823 0 40 DDAB CCn1cc(NC(=O)C(=O)NCc2ccc(OC)cc2)cn1 79068130 AIQDKUJIKZEUGO-UHFFFAOYSA-N 302.334 1.167 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N1CCSCC1)C2 75127243 UOADSNZOWMCUJQ-GFCCVEGCSA-N 308.403 1.757 0 40 DDAB Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cs1 89712435 DPPKMUAISHSANL-IAQYHMDHSA-N 322.434 1.604 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1n[nH]c2ccccc12 89919972 IXNXVHJROQGWAW-NXEZZACHSA-N 307.375 1.211 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 306137778 RGDSJSIWQJPXTO-ZDUSSCGKSA-N 306.362 1.114 0 40 DDAB O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCCc2ccccc21 38488657 RRHMHBHNMMIYIL-AWEZNQCLSA-N 313.357 1.121 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1cc[nH]n1 72385987 DGTSIWRTAISSOB-GFCCVEGCSA-N 309.395 1.368 0 40 DDAB CC(C)N(CC1CCN(C(=O)CN)CC1)C(=O)OC(C)(C)C 79409303 XHHJBXOXHCDXDN-UHFFFAOYSA-N 313.442 1.829 0 40 DDAB COc1cc(N2CCN(Cc3cccc(F)c3)CC2)ncn1 122693976 AYPGVFDRDSYYNS-UHFFFAOYSA-N 302.353 1.947 0 40 DDAB Cc1cncn(CC(=O)NCCc2c[nH]c3ccccc23)c1=O 70655716 FSSOJHXXYQOZEX-UHFFFAOYSA-N 310.357 1.392 0 40 DDAB O=C(N[C@H]1CCCc2c1cnn2-c1ccncc1)[C@H]1CCCO1 71195902 BWBOKGCPPUAIID-GOEBONIOSA-N 312.373 1.940 0 40 DDAB CCc1nnsc1C(=O)N1CCN(c2ccccc2O)CC1 36686274 FNRCLFHMGRARQE-UHFFFAOYSA-N 318.402 1.769 0 40 DDAB CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCN(CC(F)(F)F)C1=O 79002103 JPFGWBXTUYIFDR-WDEREUQCSA-N 304.312 1.964 0 40 DDAB Cc1[nH]nc2c1[C@@H](c1ccccc1F)c1c([nH]c(=O)[nH]c1=O)N2 31807762 ZQURMJBNXJQOGI-SNVBAGLBSA-N 313.292 1.471 0 40 DDAB O=C(c1cccs1)N1CC(c2nc(-c3ncccn3)no2)C1 49482967 MWNWWPFRLQTQSR-UHFFFAOYSA-N 313.342 1.828 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225082006 DQWBURJKRRWILZ-NSHDSACASA-N 324.402 1.807 0 40 DDAB CN1CC[C@@H](CNC(=O)c2cccc3c2OCCO3)CC1=O 572357534 ZYMRVVZWPDIDBB-LLVKDONJSA-N 304.346 1.056 0 40 DDAB Cc1ccccc1C1(C(=O)NCc2n[nH]c(=O)[nH]2)CCCCC1 85382718 YJZQBOFTTPPDAR-UHFFFAOYSA-N 314.389 1.925 0 40 DDAB O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(C3CCOCC3)C[C@H]21 96043345 DFNBYAAAUCNFDD-OWCLPIDISA-N 308.422 1.171 0 40 DDAB O=S1(=O)N[C@@H]2CN(CC3CCCC3)C[C@@H]2Oc2ccccc21 514288748 BGRVCEWSLIKSPL-HIFRSBDPSA-N 322.430 1.600 0 40 DDAB biogenic,in-vitro COC(=O)[C@@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2n1C 96412471 NJXRHTSFYDEFDR-VXGBXAGGSA-N 315.373 1.431 0 40 DDAB Cc1ccc(CN2CCCn3cnc(COCCO)c3C2)o1 96059007 CNEJCMFXVQQKMS-UHFFFAOYSA-N 305.378 1.699 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)nc(O)n1 257333072 YAAIQMJYWRQMOY-LBPRGKRZSA-N 313.361 1.527 0 40 DDAB CCn1nc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1C 257208275 BLLCONUUZVTFAB-BZUAXINKSA-N 320.437 1.271 0 40 DDAB C[C@]1(O)CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1ccccc1 257269605 MQQLZZSEKLMZCB-WMZOPIPTSA-N 319.401 1.844 0 40 DDAB Cc1nc([C@H]2CCNC2)cc(N2CC3(CCOCC3)OC2=O)n1 257340123 ZEQONXAVRRWWSN-LBPRGKRZSA-N 318.377 1.368 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)ccn1 257229687 FZDPBQGFXSZYLF-CYBMUJFWSA-N 314.393 1.814 0 40 DDAB CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1nccnc1N 390835271 ISXZGHOZAOPMPO-OAHLLOKOSA-N 306.366 1.397 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1CC(=O)O)C2 653646598 DQLBMTAWIMXAQS-QWHCGFSZSA-N 319.357 1.712 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)CC1CCC(F)(F)CC1 585141828 GMSLLRJBJFIEMJ-VIFPVBQESA-N 312.382 1.256 0 40 DDAB CCS(=O)(=O)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 49003204 BOQBZJKXICATBE-SECBINFHSA-N 301.364 1.424 0 40 DDAB CCc1nnsc1C(=O)N1CCC(c2nc(C)no2)CC1 54674760 XMQPFYQXQJDPQX-UHFFFAOYSA-N 307.379 1.812 0 40 DDAB CCC[C@]1(c2ccccc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53142361 RGRKOVVMTBZEPB-OAHLLOKOSA-N 324.402 1.278 0 40 DDAB Cn1cnc2cc(CNC(=O)N3C[C@@H](N)C4(CCC4)C3)ccc21 1551470577 RPGZARDUNDCITL-OAHLLOKOSA-N 313.405 1.596 0 40 DDAB CN(C)C(=O)Cn1nc(-c2cccc(-n3cccc3)c2)oc1=O 72346467 AOPCJZHBOBJQQT-UHFFFAOYSA-N 312.329 1.382 0 40 DDAB O=S(=O)(Cc1cnn(CCF)c1)c1ccc(Cl)cn1 899469789 AKXMRHNKOQRLFH-UHFFFAOYSA-N 303.746 1.875 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccn1 12667003 LSUPFCUPHJWVTQ-GFCCVEGCSA-N 316.386 1.300 0 40 DDAB CCCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582754 CZNLBCUEVVQAEJ-UHFFFAOYSA-N 314.407 1.621 0 40 DDAB COCCNS(=O)(=O)c1ccc(Br)c(C)c1 14099337 BRCHGXCQBCBCKB-UHFFFAOYSA-N 308.197 1.682 0 40 DDAB CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)C1CCCCCC1 29166500 JAAUKBDWVJVVPU-OAHLLOKOSA-N 316.467 1.334 0 40 DDAB CN1C[C@H]2CN(CCCc3ccccc3)CC[C@@H]2OCC1=O 2037981115 VSSYATPKZWOSQL-IRXDYDNUSA-N 302.418 1.798 0 40 DDAB CCSCC(=O)N1CC[C@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225169 FEQPCWDJPBITOL-BBRMVZONSA-N 310.463 1.989 0 40 DDAB O=C(C1CC(O)C1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 1614937280 MERPOBMMNXEVSG-IJGSQOGDSA-N 320.414 1.474 0 40 DDAB CCOc1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1C 51644205 RHFUYCBSWWPSQI-CYBMUJFWSA-N 307.350 1.112 0 40 DDAB COc1cc(C(=O)NCCc2cccnc2)cc2c1OCCO2 32348898 QGRQFCNYKOYFHC-UHFFFAOYSA-N 314.341 1.834 0 40 DDAB O=C(NC1CCCC1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 302605 QVKJQVVMMQQGJY-HIFRSBDPSA-N 318.373 1.679 0 40 DDAB C[C@@H]1COCCN1C(=O)c1cccc(N2CCCS2(=O)=O)c1 46255409 WUZUINUHOIGGQB-GFCCVEGCSA-N 324.402 1.087 0 40 DDAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCC1 574517 COGSEROTJLVSGX-UHFFFAOYSA-N 324.446 1.550 0 40 DDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1ccc(Cl)cc1 2644634 LTWCHENHGNMOOX-LLVKDONJSA-N 315.826 1.746 0 40 DDAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)CC)cs1 6680400 SPCQWDVMHHGHBS-SECBINFHSA-N 304.437 1.917 0 40 DDAB Cc1cc(-c2nnc(SCC(=O)NCC(C)C)n2C)nn1C 2793307 NAMWYKRPVAWYSC-UHFFFAOYSA-N 322.438 1.388 0 40 DDAB CC(C)NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146268 UJDGUVHFVPVLLV-AWEZNQCLSA-N 315.373 1.162 0 40 DDAB biogenic CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccccc1F 41606168 CBPJDXJJSNUSBK-VIFPVBQESA-N 324.337 1.519 0 40 DDAB O=C(NCc1cc(F)ccc1F)Nc1snnc1C(=O)O 33436185 FRXSAUJVOVORSA-UHFFFAOYSA-N 314.273 1.836 0 40 DDAB Cc1cc(CN2CCN(C(=O)NCc3ccccn3)CC2)no1 53251656 FPMNRVMMUDPKAO-UHFFFAOYSA-N 315.377 1.405 0 40 DDAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccco1 103311732 ZGSIVFAEQQIQDG-SDDRHHMPSA-N 304.346 1.632 0 40 DDAB CONC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 53720402 SJFYYGGLDMUUTE-CYBMUJFWSA-N 300.314 1.524 0 40 DDAB COc1cc(/C=C/C(=O)NS(C)(=O)=O)ccc1OC(C)C 42280710 IKZYFSLDCNJXMM-SOFGYWHQSA-N 313.375 1.571 0 40 DDAB O=C(Nc1nc[nH]n1)c1cnn(Cc2ccccc2Cl)c1 23141330 FINLGLFSIQBERD-UHFFFAOYSA-N 302.725 1.955 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Cn2cccn2)cc1 42535567 FYNBHGXOAAPZTG-AWEZNQCLSA-N 309.373 1.946 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cn1 54484502 KWFAPDKXCSZVHW-AWEZNQCLSA-N 312.325 1.488 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)s1 23626465 BPSNLUIGYUKTMP-JTQLQIEISA-N 320.374 1.930 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)CCn2ccccc2=O)no1 76043884 RCPOPJYAZPRTEM-GFCCVEGCSA-N 302.334 1.294 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n1 76046214 ZJICMLZDWKWNBP-NSHDSACASA-N 323.784 1.952 0 40 DDAB COC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355171 NHYYBJHFSGKUFZ-NHYWBVRUSA-N 322.336 1.024 0 40 DDAB CNC[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 61864032 XFWDEJAVGCLOOQ-JTQLQIEISA-N 312.211 1.916 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 108431183 ZSOCPTRJCPOECW-HUUCEWRRSA-N 315.377 1.405 0 40 DDAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)CC(=O)OC)C1 106835453 JZQYCUHQYRKIES-YNEHKIRRSA-N 312.410 1.339 0 40 DDAB O=C(OCCOc1ccccc1)c1cccc(-n2cnnn2)c1 21245170 GTNPKSNLZDSOBW-UHFFFAOYSA-N 310.313 1.898 0 40 DDAB CCOc1ccc(S(=O)(=O)NCc2nncn2CC)cc1 56066620 LZUDKWRIVGCJAI-UHFFFAOYSA-N 310.379 1.175 0 40 DDAB COc1ccnc(N2CCCN(C(=O)c3ccccn3)CC2)n1 57140680 ODMMWIMCWIDOJF-UHFFFAOYSA-N 313.361 1.233 0 40 DDAB CC(C)(C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 78357590 AKLLWJHTKYZDIA-OAHLLOKOSA-N 320.433 1.617 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355077 YEJDPGWPABRXOA-BBRMVZONSA-N 322.380 1.888 0 40 DDAB CCOc1ncccc1CNS(=O)(=O)N1CCC[C@@H](C)C1 28041731 FVABKWHIHNSEDJ-GFCCVEGCSA-N 313.423 1.547 0 40 DDAB O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@@H]1c1ccco1 109059667 LQTHFDDNWXDLSC-WDEREUQCSA-N 318.402 1.957 0 40 DDAB O=C(NCCc1nnc2ccccn12)c1n[nH]c2ccccc12 12507722 MEGBYPSJKOKERG-UHFFFAOYSA-N 306.329 1.578 0 40 DDAB COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2c(C)csc2n1 27561502 HTXPRKYLZDJLAH-GFCCVEGCSA-N 321.402 1.592 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 10041375 KYGTWPNVTFXOBW-GFCCVEGCSA-N 304.371 1.992 0 40 DDAB CCc1ccccc1OCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 58265070 CLOWLGLJGYBLLS-JSGCOSHPSA-N 304.390 1.740 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3cc[nH]n3)CC2)on1 58267248 JDTDRNMCMYMRDN-LLVKDONJSA-N 303.366 1.913 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)CC2CC2)cc1-n1cnnn1 97081275 MTTAZDYCENVQGE-JTQLQIEISA-N 301.350 1.589 0 40 DDAB Cc1noc([C@H]2COCCN2CCc2ccc3c(c2)CCO3)n1 97096389 UNDYTIDBDDQSGU-OAHLLOKOSA-N 315.373 1.929 0 40 DDAB NC(=O)CN(C(=O)c1cc2ccccc2oc1=O)C1CCCC1 58395180 UBJIXOJZLKWCBI-UHFFFAOYSA-N 314.341 1.663 0 40 DDAB COc1cccc(O[C@@H](C)C(=O)NCCCn2ccnc2)c1 20034832 XWRVCKBPAHQXMY-ZDUSSCGKSA-N 303.362 1.866 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C)c1 8328476 BMQSRTIDHDGXLW-UHFFFAOYSA-N 318.398 1.833 0 40 DDAB Nc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1 3344472 CMNXMZVFIHHIKV-UHFFFAOYSA-N 321.387 1.198 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccc(Cl)s1 36885638 VVNVTWWKONVZCI-UHFFFAOYSA-N 309.796 1.887 0 40 DDAB C[C@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)CCO1 48342110 UCJBVGDURLMDGS-JTQLQIEISA-N 323.374 1.202 0 40 DDAB CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 12890816 XZLKXVXYQKPZCO-GFCCVEGCSA-N 306.387 1.356 0 40 DDAB O=C(COc1c(CO)cc(F)cc1CO)NC1CCCCC1 12897766 WJZBNRNFGCJQQQ-UHFFFAOYSA-N 311.353 1.638 0 40 DDAB COc1ccc([C@H](CNC(=O)C2CC2)N2CCOCC2)cc1 12932741 NIKSHOVPWZWCAG-INIZCTEOSA-N 304.390 1.595 0 40 DDAB CCC[C@@H]1NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 8429853 MNOUVDVOLFCIEL-NSHDSACASA-N 300.318 1.957 0 40 DDAB C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]n2)CC1 69588933 VMZHTEKOTUTZJV-SNVBAGLBSA-N 321.331 1.602 0 40 DDAB Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)c(C)s1 69515316 JXMIGEQKKFPFCF-UHFFFAOYSA-N 300.365 1.139 0 40 DDAB C[C@@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccc(F)cc1 69667225 KOYHYNNLOFNAHP-IUODEOHRSA-N 321.396 1.972 0 40 DDAB CC(C)CCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 13580384 WLNXSRKCYLPMTQ-UHFFFAOYSA-N 310.419 1.785 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1ccccc1OC(F)(F)F 65414005 SEYWWIOEKMWCKC-MRVPVSSYSA-N 313.297 1.898 0 40 DDAB O=C([C@H]1CCOC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 65463928 QYFMMAHJKBPHHI-AWEZNQCLSA-N 318.373 1.096 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)C2 65466131 RYJQSSNKNAKZKB-CYBMUJFWSA-N 322.372 1.517 0 40 DDAB CN(CC(N)=O)C(=O)COc1cccc(Oc2ccccn2)c1 65512682 NVZIZZMKRWIMEZ-UHFFFAOYSA-N 315.329 1.196 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 69840754 SJDJWAOUQCQKHT-ZDUSSCGKSA-N 320.393 1.011 0 40 DDAB O=C(CSc1nc2ccccc2c(=O)[nH]1)NCC(F)(F)F 6517137 LNDAAHMNGFQBFI-UHFFFAOYSA-N 317.292 1.694 0 40 DDAB COCCCNC(=O)CNC(=O)c1ccc2ccccc2c1 6882201 XPMWSPXPFMKRGN-UHFFFAOYSA-N 300.358 1.722 0 40 DDAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CCC(=O)N3)c2cc1C 7038510 QPHKYNZCJRCJJJ-CYBMUJFWSA-N 315.325 1.732 0 40 DDAB O=C(NCCCN1CCCC1)c1cccnc1N1CCOCC1 41999329 NEYFLBBMIMJMGP-UHFFFAOYSA-N 318.421 1.134 0 40 DDAB NC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2 68075335 QMICOSVPRQTILK-UHFFFAOYSA-N 311.341 1.605 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005377 QTPPTVZVSKXMJW-CYBMUJFWSA-N 302.440 1.495 0 40 DDAB O=S(=O)(N[C@@H]1CCCOC1)c1ccc(C(F)(F)F)nc1 96007665 UHJFOJWZTCIIBV-MRVPVSSYSA-N 310.297 1.558 0 40 DDAB CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccs2)CC1 72239746 YSBLGBIQHGMVSB-CYBMUJFWSA-N 307.419 1.013 0 40 DDAB C[C@H]1CCN(C(=O)NCCc2cccc(C(=O)N(C)C)c2)C1 78953153 PNZREFXSCVOWBW-ZDUSSCGKSA-N 303.406 1.982 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(N)cc(=O)[nH]2)[C@@H]1C 9562397 AANMEJBJTBWSHL-OPRDCNLKSA-N 310.423 1.385 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(F)c(F)cc1F 71847617 GWDXADAUZTTYJV-SSDOTTSWSA-N 307.293 1.867 0 40 DDAB c1cnnc(N2CCC[C@@H]2CNCc2noc(C3CC3)n2)c1 71859922 XLKGQXQJYXYOFW-GFCCVEGCSA-N 300.366 1.496 0 40 DDAB C[C@H](O)C1CCN(CC(=O)NCCOc2ccccc2)CC1 71897290 NPZSWYZPQBCOHR-AWEZNQCLSA-N 306.406 1.274 0 40 DDAB O=C(NCc1cc(Cl)cc2c1OCC2)N1CCC[C@@H]1CO 97114807 ANHOFZWHJSLORJ-CYBMUJFWSA-N 310.781 1.941 0 40 DDAB O=C1CN(S(=O)(=O)c2cccs2)[C@H]2CCCC[C@@H]2N1 84442243 KNQQJJXVDMRNIJ-UWVGGRQHSA-N 300.405 1.180 0 40 DDAB CC[C@H]1CN(C(=O)c2sccc2OC)C[C@@H]1N1CCOCC1 84735951 NGZUDPQGVVCAQV-STQMWFEESA-N 324.446 1.940 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nccs1 61719054 QUCLVGMUDSKKNY-UHFFFAOYSA-N 304.375 1.607 0 40 DDAB O=C(CNc1cc(-n2cnnn2)ccc1F)N1CCCCCC1 95406218 YVVNWLCHAXKHHY-UHFFFAOYSA-N 318.356 1.616 0 40 DDAB Cc1nc(S(=O)(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cn1C 95462047 MSKFHHGSDYZZBS-GXSJLCMTSA-N 313.379 1.112 0 40 DDAB O=C(Cc1ccccn1)N1CCN(c2ncnc3[nH]ccc23)CC1 95433669 PUMMFSNOBGGJOI-UHFFFAOYSA-N 322.372 1.244 0 40 DDAB CN1C[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)CCC1=O 95452344 BJYZKWUUJRHDDZ-VIFPVBQESA-N 318.345 1.005 0 40 DDAB Cn1nc(C2CCC2)cc1NC(=O)NCC(=O)NCC1CC1 95994349 KZXXRFVMVPVKHE-UHFFFAOYSA-N 305.382 1.335 0 40 DDAB CCOc1nc(N2CCOC[C@@H]2C)ncc1Br 75110530 NWMROQPQOBBMIQ-QMMMGPOBSA-N 302.172 1.863 0 40 DDAB CCOC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 20738375 DEFVFFRTPGXFLW-UHFFFAOYSA-N 317.301 1.710 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@@](=O)Cc2ccccc2)C1 89954623 MIHDFGPIPJMYJW-OYHNWAKOSA-N 322.430 1.062 0 40 DDAB Cc1ncccc1CN1CC[C@H](N=c2ccc3nccn3[nH]2)C1 548022520 WVPZHGPXSPZDSP-HNNXBMFYSA-N 308.389 1.541 0 40 DDAB CN(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412319 XNUWVGMSWWRGHM-HNNXBMFYSA-N 319.405 1.452 0 40 DDAB CCCCn1nc(C(=O)OCC(=O)N[C@H](C)CC)ccc1=O 39572027 ZZEOXGDOJGZGGQ-LLVKDONJSA-N 309.366 1.115 0 40 DDAB CC(=O)N(C)c1cccc(NC(=O)NCc2nccn2C)c1 72596275 VYWXUONJMDTCLB-UHFFFAOYSA-N 301.350 1.725 0 40 DDAB CN1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 74861082 IOLNLHQGMLRKGK-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(Br)c1 42645669 YZBOPNDLLSTMNA-VIFPVBQESA-N 315.167 1.275 0 40 DDAB CSc1nnc(NS(=O)(=O)c2c(C)noc2C)s1 225534867 CPVJECOOBUVDPC-UHFFFAOYSA-N 306.394 1.666 0 40 DDAB CN(C)c1ccnc(CNC(=O)c2ccc3c(c2)OCO3)n1 224193070 RZRXKXOOWCZDOQ-UHFFFAOYSA-N 300.318 1.201 0 40 DDAB COCCCNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O 41549989 GIGIRDMTVSUTFM-AWEZNQCLSA-N 312.753 1.582 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)cn1C 225787361 WXMFOKIQZZYGBQ-AWEZNQCLSA-N 321.402 1.148 0 40 DDAB COc1cccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 224348413 VXAPEWWRMXTCRP-UHFFFAOYSA-N 315.377 1.870 0 40 DDAB CO[C@@H](C)CS(=O)(=O)NC[C@H]1CCN(C)c2ccccc21 195127390 HEWPFLNMVCZKTF-QWHCGFSZSA-N 312.435 1.564 0 40 DDAB Cc1cc(-c2nnc3sc(-c4coc(C)n4)nn23)n(C)n1 95473211 COCHSBZNFSFINE-UHFFFAOYSA-N 301.335 1.858 0 40 DDAB CCc1cnc(N2CC[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)nc1 96249656 AVWUFWAQKFEDGI-IAGOWNOFSA-N 316.449 1.976 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCN(CC4CCOCC4)C3)C2)nc1 96047753 JIVXQNRSGGPCQW-DOTOQJQBSA-N 318.421 1.549 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 96239278 XWMSWYNOPIZFED-CZUORRHYSA-N 320.414 1.883 0 40 DDAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4ccco4)C[C@H]3O2)no1 96046398 OPIQNLCSZRNLJC-WCFLWFBJSA-N 303.318 1.963 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@@H]2NC(=O)c2cnccn2)CC1 96051540 XBAXBFWUGDIMFG-ZDUSSCGKSA-N 317.393 1.133 0 40 DDAB CCN(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 96850525 RZRIHGNVJICEAP-UHFFFAOYSA-N 321.421 1.421 0 40 DDAB Cc1cnc(N2C[C@@H]3CCC[C@H](OCC(=O)N(C)C)[C@H]3C2)nc1 96248992 VSKPHKVIEYZTFE-KKUMJFAQSA-N 318.421 1.495 0 40 DDAB COC(=O)C[C@H](c1ccco1)c1c(O)nc2ccccn2c1=O 96222394 SYVQIMFUQYSDIY-SNVBAGLBSA-N 314.297 1.688 0 40 DDAB biogenic Cn1cc(CN2CCC3(CC2)CCN(c2ncccn2)C3)cn1 96046594 BBAAVYDSAJVWTB-UHFFFAOYSA-N 312.421 1.703 0 40 DDAB COCC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 96112911 UEDVCDIOMRPJJV-ZDUSSCGKSA-N 319.336 1.351 0 40 DDAB biogenic,in-vitro Cn1ccnc1CN1Cc2[nH]nc(COc3cccnc3)c2C1 96091057 AXNLWMJXJXGXJZ-UHFFFAOYSA-N 310.361 1.633 0 40 DDAB Cn1cc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)cn1 96058634 OWOBNUCCUSWBHI-AWEZNQCLSA-N 313.405 1.315 0 40 DDAB CC(C)n1cc(S(=O)(=O)NCC(C)(C)C[C@H](C)O)cn1 96492615 UYUYTQSLPAHNGO-NSHDSACASA-N 303.428 1.539 0 40 DDAB CCCc1cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)no1 257202051 AKGJPWZHNLJTNS-ZDUSSCGKSA-N 304.350 1.872 0 40 DDAB CC1(C)[C@H](NC(=O)NCCN(CC2CC2)C2CC2)[C@H]2CCO[C@H]21 252486237 HAWKUIGVCIJIHB-BZUAXINKSA-N 321.465 1.974 0 40 DDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)Cc2cccnc2)[C@H]1O 257241646 HYXLQVNZMRVPKJ-BFYDXBDKSA-N 314.389 1.400 0 40 DDAB COCCN1CCC(Cc2nccnc2-c2ncc[nH]2)CC1 257254526 KDMCTKZVRONISK-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)n1 257236531 HCPJSSHDOIULTA-NSHDSACASA-N 309.395 1.286 0 40 DDAB C[C@]12C[C@@H](c3ccccc3F)N(C(=O)CO)[C@H]1CCCC(=O)N2 257254950 KFKVKRCUGWTZPA-ZQIUZPCESA-N 320.364 1.519 0 40 DDAB CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O 257314230 UVYJRTHHACSFRS-CVEARBPZSA-N 316.401 1.579 0 40 DDAB CC1(c2ncc(C(N)=O)s2)CCN(c2ncccn2)CC1 257283734 OZRIMAMOLDITSV-UHFFFAOYSA-N 303.391 1.590 0 40 DDAB COc1ccccc1[C@@H]1CN(C(=O)Cn2ccnc2)CCN1C 257239411 HPDLWKOKVZKEGT-HNNXBMFYSA-N 314.389 1.407 0 40 DDAB CCn1nc(C(=O)N2CC[C@@H](c3nc(C)cn3C)C2)cc1C 257279234 OFRKJYYAJNQTBV-CYBMUJFWSA-N 301.394 1.883 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cccnn2)C1 257312172 UMTMGAOKCSOZHW-LBPRGKRZSA-N 312.377 1.403 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)C[C@@H]1CCCCC1(F)F 263222216 QXWBYEUHENVTJQ-JTQLQIEISA-N 313.366 1.938 0 40 DDAB O=S(=O)(c1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 271438699 RFHBVRQCFMSMKL-CQSZACIVSA-N 310.419 1.172 0 40 DDAB C[C@H](NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)c1cccnc1 287083452 KQSDNIOBUZOXMC-ZFWWWQNUSA-N 316.405 1.797 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1CCCCCO1 390834299 VYDPUAFIGDAXDF-UHFFFAOYSA-N 305.377 1.641 0 40 DDAB Cc1ncccc1C(=O)N1CC[C@H](Oc2ncc(F)cn2)C1 390827072 DSKBCJPIHNIYAE-LBPRGKRZSA-N 302.309 1.613 0 40 DDAB COCCOc1cccc(C(=O)NCc2cc(OC)no2)c1 585141428 UMTFHVXJOXCLNS-UHFFFAOYSA-N 306.318 1.638 0 40 DDAB Cc1cc(C(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)c(C)o1 585093312 OQSZYLKJDHAMSO-CQSZACIVSA-N 312.316 1.884 0 40 DDAB O[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)Cn1cccn1 51536450 UPPLJLICZRJATF-INIZCTEOSA-N 320.824 1.720 0 40 DDAB O=C(CSc1ncn[nH]1)NCCN1CCc2sccc2C1 56166464 XRAWJWKGMQUVEJ-UHFFFAOYSA-N 323.447 1.133 0 40 DDAB NC(=O)C1(CNC(=O)c2cc3c(s2)CCCC3)CCOCC1 52742668 UVPYQIHMLAROLE-UHFFFAOYSA-N 322.430 1.639 0 40 DDAB C[C@@H](C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57381957 VMOJQNUTYYFWLA-JTQLQIEISA-N 301.312 1.701 0 40 DDAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1c[nH]c(=O)[nH]1 70037576 XNFXIWPEMPMXPX-UHFFFAOYSA-N 315.377 1.408 0 40 DDAB Cn1cccc(C(=O)N2[C@H]3CC[C@H]2CC(n2ccnc2)C3)c1=O 1565520725 JRCFLZRJCOZKTP-STQMWFEESA-N 312.373 1.590 0 40 DDAB CN1CC[C@H](NC(=O)c2coc(Br)c2)CC1=O 194196188 BXYIKWNMTGNKBD-QMMMGPOBSA-N 301.140 1.393 0 40 DDAB Cc1nc(SCC(=O)NCc2ccc(F)cc2)[nH]c(=O)c1C 5155299 UNDQOOIGQKYPIR-UHFFFAOYSA-N 321.377 1.934 0 40 DDAB COc1ccc(F)cc1C(=O)COC(=O)c1cnc(C)cn1 5636913 OPBBJWJOFXUBLF-UHFFFAOYSA-N 304.277 1.972 0 40 DDAB CCn1nnc2cc(C(=O)OCC(=O)N3CCCC3)ccc21 5805408 HPLVCTPPQGHOGW-UHFFFAOYSA-N 302.334 1.230 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1cccc(C)c1)NC(=O)N2 12346144 PUVKYHPRVSLERC-HNNXBMFYSA-N 315.373 1.482 0 40 DDAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 12378081 SNKNSEBHKHUNDR-XJKCOSOUSA-N 322.405 1.494 0 40 DDAB CCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1 13551773 KJVDAMNXWOGNQE-UHFFFAOYSA-N 310.309 1.856 0 40 DDAB O=C(c1ccccn1)N1CCC(c2ncc3c(n2)CCNC3)CC1 19399930 DANVAIIMMOYLDR-UHFFFAOYSA-N 323.400 1.537 0 40 DDAB C[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)c2cccnc2O1 158426638 XTNPFUSSKITUCQ-QWHCGFSZSA-N 306.362 1.781 0 40 DDAB Cc1cc(N2CCO[C@@H](C(=O)NC3CC3)C2)nc(C2CC2)n1 1889070776 JDGNZJRCZFOYIZ-CYBMUJFWSA-N 302.378 1.146 0 40 DDAB S=C(NCCN1CCOCC1)Nc1ccc2cn[nH]c2c1 25424945 XWEZXJWFGIZHPE-UHFFFAOYSA-N 305.407 1.182 0 40 DDAB COc1ccccc1C(=O)N1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037985877 ZKCCCBLUQMYJCE-JSGCOSHPSA-N 318.373 1.015 0 40 DDAB COc1cnc(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)nc1 1565549199 NOYYIVJXYLWLFA-GJZGRUSLSA-N 313.357 1.303 0 40 DDAB CCc1ccc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)cc1 2711108 RPOCQUTXCSLYFJ-JTQLQIEISA-N 306.387 1.678 0 40 DDAB O=C(NCc1ccco1)C(=O)NC[C@H]1COC2(CCCCC2)O1 5351455 UDXMAXODIBGKCX-ZDUSSCGKSA-N 322.361 1.088 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccsc1 8863604 VLJVRLSMNYXIBU-JTQLQIEISA-N 308.363 1.094 0 40 DDAB CC(C)C(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738713 MFWMBHQQTYXUOV-NSHDSACASA-N 305.378 1.444 0 40 DDAB O=C(N=c1cco[nH]1)[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298045494 LQYHHSOHZKWEFY-CYBMUJFWSA-N 317.320 1.755 0 40 DDAB C[C@@H](C(=O)O)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 12086498 ICBAGNCLXBDYLD-APPDUMDISA-N 317.341 1.876 0 40 DDAB CCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21 100621174 NLZLTPPSPXOUHZ-UHFFFAOYSA-N 310.313 1.769 0 40 DDAB COCCN(CCOC)CC(=O)Nc1cccc2ncccc12 40481521 BRVRIBWLLWCAGM-UHFFFAOYSA-N 317.389 1.768 0 40 DDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)c1ccc(O)cc1O 31734117 MSFXJWLALQIRDG-UHFFFAOYSA-N 314.276 1.773 0 40 DDAB CCn1nc(C)c2[nH]c(=O)n(Cc3ccc(F)cc3)c(=O)c21 101275394 FBLNCAKKKJSYDQ-UHFFFAOYSA-N 302.309 1.402 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1F 32434141 MSDOSRCWRCKTPD-LBPRGKRZSA-N 316.398 1.133 0 40 DDAB COc1ccccc1N1CCN(C(=O)Cn2ccnc2)CC1 29594409 LFBOGBLUVFAGIM-UHFFFAOYSA-N 300.362 1.241 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 2653590 ADXRNJAFGQFLJD-MRXNPFEDSA-N 303.362 1.962 0 40 DDAB COCCNC(=O)CNC(=O)Cc1cccc2ccccc12 68846444 DLESEOYHPFTDGS-UHFFFAOYSA-N 300.358 1.261 0 40 DDAB O=C1Nc2ccc(Oc3ccc4c(c3)C(=O)C(=O)N4)cc2C1=O 3149586 CSWRPDRRIWFDDK-UHFFFAOYSA-N 308.249 1.749 0 40 DDAB COc1cc(CN(C)CCO)c(OC)cc1Br 32819285 HVKKFZHWSICIGK-UHFFFAOYSA-N 304.184 1.890 0 40 DDAB COc1ccc(CN(C(=O)C2=NN(C)C(=O)CC2)C2CC2)cc1 32836752 NUVDYIPUKPZYFH-UHFFFAOYSA-N 315.373 1.794 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1 41247409 STEONGGMUNYHMV-NSHDSACASA-N 314.382 1.423 0 40 DDAB NC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1 6341727 SWNZMMCYGVHFCM-UHFFFAOYSA-N 309.369 1.782 0 40 DDAB COc1ccc(CC(=O)OCC(=O)NCc2ccco2)cc1 6608637 XNHVDRYUSNMAET-UHFFFAOYSA-N 303.314 1.690 0 40 DDAB CC1=C(C(=O)N(C)C)[C@H](c2c(F)cccc2F)NC(=S)N1 7553480 BDRYBPAFIXZRCX-GFCCVEGCSA-N 311.357 1.846 0 40 DDAB O=C(CCn1cncn1)N1CCC[C@H]1c1noc(C2CC2)n1 72299488 HQVVUPAOBWHSAT-NSHDSACASA-N 302.338 1.292 0 40 DDAB NC(=O)CN(CCN1C(=O)c2ccccc2C1=O)C1CCCC1 52826165 VLWNMNUTYHZBKX-UHFFFAOYSA-N 315.373 1.013 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(CCc2ccccc2)CC1 21973146 KQOVNTRUBDJWEU-UHFFFAOYSA-N 311.385 1.375 0 40 DDAB COCCS(=O)(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 72230483 AYKVSZAIZNZJOD-VIFPVBQESA-N 309.334 1.915 0 40 DDAB O=S(=O)(N1CCc2ccccc2C1)N1CCN2CCC[C@@H]2C1 72277715 ZOVACWNHRYDKEP-MRXNPFEDSA-N 321.446 1.070 0 40 DDAB CC(=O)N[C@@H](C(=O)NCc1nnc2ccccn12)C1CCCC1 53464785 VPSRPSYJOKPSOC-OAHLLOKOSA-N 315.377 1.040 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cn1 22966950 LBALCIULQUMCAJ-UHFFFAOYSA-N 305.359 1.598 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 54483799 QJPNQAZWGXXDFF-UHFFFAOYSA-N 318.345 1.119 0 40 DDAB CN1CC[C@H](NC(=O)N2CC[C@@H](Cc3ccccc3)C2)C1=O 76087209 WCBDJFMGEWRUEE-GJZGRUSLSA-N 301.390 1.491 0 40 DDAB COC(=O)[C@H]1CCCCN1C(=O)c1ccc(OC)c(OC)c1 42647407 SUQPUGQPEVZNHS-GFCCVEGCSA-N 307.346 1.872 0 40 DDAB O=C(CSc1ccccc1)NC[C@H]1CN2CCC[C@H]2CO1 106166559 NAWMPGOBUOJBNJ-KBPBESRZSA-N 306.431 1.758 0 40 DDAB CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)C(CO)(CO)c1ccccc1)C2 101246660 ICTCLIOSQZBOFS-MUJYYYPQSA-N 319.401 1.077 0 40 DDAB in-vitro Cc1cccc(-n2cnc(C(=O)Nc3ccccc3C(N)=O)c2)n1 1383817 CJCFVZQIPVUUAX-UHFFFAOYSA-N 321.340 1.927 0 40 DDAB Cc1csc(N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)n1 47890937 FNTYMNILEZFADZ-AWEZNQCLSA-N 322.478 1.975 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cnn(C)c1 25305331 MYUKHVUJARMWMA-UHFFFAOYSA-N 303.318 1.649 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)CCCn2cncn2)no1 72299391 SDISLBZGJVMEMA-LBPRGKRZSA-N 318.381 1.928 0 40 DDAB C[C@@H](C1CC1)N(C)CC(=O)NCCCN1CCCCCC1=O 76553140 JTFOQRKBZCAHBR-AWEZNQCLSA-N 309.454 1.626 0 40 DDAB CC(C)(C)C(=O)Nc1cccc(Cn2nc(O)ccc2=O)c1 48203931 LUTWDENHQDKCPW-UHFFFAOYSA-N 301.346 1.982 0 40 DDAB O=S(=O)(c1cccc(F)c1F)N1CCCn2ncnc21 78556755 VFLZWGNZLQXGNI-UHFFFAOYSA-N 300.290 1.155 0 40 DDAB COC(=O)CCOc1ccc(S(=O)(=O)N2CCCC2)cc1 58174810 LLCDCKWYVBGUDT-UHFFFAOYSA-N 313.375 1.413 0 40 DDAB CCN1C(=O)C[C@@H](N(C)Cc2nc3ccccc3s2)C1=O 44829309 DBASLUUQIAZNDU-LLVKDONJSA-N 303.387 1.876 0 40 DDAB CN(C)c1cc(C(=O)Nc2ccc(-n3cccn3)nc2)ccn1 44917533 LNJLKQDMBHUDJI-UHFFFAOYSA-N 308.345 1.981 0 40 DDAB CN(C)c1ccc(NC(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 44951550 NRVQVACWNBSMSA-ZIAGYGMSSA-N 303.410 1.896 0 40 DDAB C[C@@H]1C[C@@H](N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C(=O)O1 72289498 CEXUVMNGWBKIBO-VXGBXAGGSA-N 322.409 1.189 0 40 DDAB CC[C@@H](C)n1cnc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1 110683659 XCPOMRNHGQRCLI-TZMCWYRMSA-N 313.423 1.655 0 40 DDAB O=C(O)c1ccc(CS(=O)(=O)NCC[C@H]2CCCO2)cc1 38095795 VLVLVOUPIWYLTL-CYBMUJFWSA-N 313.375 1.373 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)C(C)C 12976179 BKAQAIQXIXYSHA-JKSUJKDBSA-N 304.390 1.747 0 40 DDAB CCCN1CCN(C(=O)CCCNC(=O)c2ccccc2)CC1 48654148 CJYWDNRVMWLJKJ-UHFFFAOYSA-N 317.433 1.751 0 40 DDAB CCn1nnc2c1[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C2 91303030 ZXYISKBNCFRHMO-SECBINFHSA-N 310.354 1.305 0 40 DDAB in-vitro CC(C)c1nc2n(n1)C[C@H](Nc1ncnc3c1cnn3C)CC2 70006897 KMVYBIBFIWHFRU-SNVBAGLBSA-N 312.381 1.505 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cn1 69349322 RTLHMJHHXOLGSN-ZDUSSCGKSA-N 305.403 1.528 0 40 DDAB C[C@@H](C(N)=S)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 39175783 LZFBOQOMPIKJBI-ISVAXAHUSA-N 312.345 1.366 0 40 DDAB in-vitro CC[C@H](OC)C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1 49515128 ZYCMEGBGDMAQIW-VIFPVBQESA-N 306.771 1.106 0 40 DDAB Cc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(C)(=O)=O)cc1C 4158645 CRFHNLBPYLCZKS-CYBMUJFWSA-N 317.432 1.257 0 40 DDAB O=C(C[C@H](NC[C@H]1CCCO1)C(=O)O)Nc1ccc(F)cc1 4264012 RTCJHAOCWCDZTQ-OLZOCXBDSA-N 310.325 1.376 0 40 DDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 69415328 BHRBEAQFZCTDQU-OAHLLOKOSA-N 319.453 1.032 0 40 DDAB CC(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 4452276 WRDNOIWBAFDHCI-LBPRGKRZSA-N 315.251 1.133 0 40 DDAB COC[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCSCC1 65576242 XEAMFSROMWJWCN-HIFRSBDPSA-N 308.447 1.928 0 40 DDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O 6679575 IAOAUKGRDKQCRC-UHFFFAOYSA-N 315.354 1.400 0 40 DDAB O=C(CN1CCC[C@@H]1CN1CCCCC1)NC[C@@H]1CCCO1 69600373 NKMHGOZLPOCUOJ-CVEARBPZSA-N 309.454 1.232 0 40 DDAB C[C@@H](N[C@H]1CCc2ncnn2C1)c1nnc(-c2ccccc2)o1 69654137 KACPGBBVDVZYQZ-YPMHNXCESA-N 310.361 1.994 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)nn1 72253220 XQQSNVQSQXGTSF-KGLIPLIRSA-N 303.410 1.241 0 40 DDAB O=[S@](CCn1cccn1)Cc1nc(-c2cccs2)no1 69775779 VXDLVSHZHSLJHD-FQEVSTJZSA-N 308.388 1.944 0 40 DDAB Cc1cc(C)cc(OC[C@@H](O)CN[C@H]2CCc3ncnn3C2)c1 69769941 UQIRLYVGFQRARI-GJZGRUSLSA-N 316.405 1.239 0 40 DDAB CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCC(=O)N1 66946458 RWZRDAQRCOFPGE-MRXNPFEDSA-N 317.433 1.288 0 40 DDAB O=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(C2CC2)C1 67183715 FDVVYPNJIXHILA-QMMMGPOBSA-N 324.178 1.794 0 40 DDAB COc1ccc(-c2nnc(SCCC(N)=O)o2)cc1OC 7139795 CPUMOALGNFKIJN-UHFFFAOYSA-N 309.347 1.721 0 40 DDAB NC(=O)[C@H](CNC(=O)NCC(F)(F)F)Cc1ccc(F)cc1 69812757 UWACOWGPIROJAS-VIFPVBQESA-N 321.274 1.331 0 40 DDAB Cc1ncc(CN2CCO[C@H](CN(C)c3cccnn3)C2)s1 84290617 OOYCOJUPNMYAQM-CYBMUJFWSA-N 319.434 1.579 0 40 DDAB Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2F)n1 97163979 ODJYDASKBRVHEB-ZDUSSCGKSA-N 323.299 1.799 0 40 DDAB CC(C)c1nc([C@@H](C)NC(=O)CS(=O)(=O)N(C)C)cs1 96010509 HLGUPCXSBVOYQS-SECBINFHSA-N 319.452 1.335 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cn1 72343679 GHLJPWVOLCJVAJ-SNVBAGLBSA-N 305.197 1.941 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2cc(C)no2)CC1=O 71821557 FUJGZRJCXBABAG-QWHCGFSZSA-N 321.377 1.141 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 71841337 RKOBLAMEGFWUPS-KCQAQPDRSA-N 312.373 1.406 0 40 DDAB Cn1cnnc1CCNC(=O)c1ccc(OC(F)(F)F)cc1 71847027 JNWFNUJZTRPJBI-UHFFFAOYSA-N 314.267 1.686 0 40 DDAB COc1ccccc1C(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 9647826 BKCKVSRWBUKLHV-LBPRGKRZSA-N 304.346 1.844 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)no1 97372305 DACFYNDHDUVJLU-GFCCVEGCSA-N 300.318 1.303 0 40 DDAB CC(C)CC(CC(C)C)NC(=O)Cn1ncn2nccc2c1=O 95395601 OAGGPCAWFRMZDV-UHFFFAOYSA-N 319.409 1.468 0 40 DDAB CCN(C[C@@H]1CN(C[C@@H]2CCOC2)CCO1)c1cccnn1 84774597 IILWUZRZHVVKFD-GJZGRUSLSA-N 306.410 1.040 0 40 DDAB CCN(C)C(C)(C)C(=O)NCC(=O)N1CCCc2ccccc21 95432795 PDGBHTSDGFMOMZ-UHFFFAOYSA-N 317.433 1.812 0 40 DDAB Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccco2)C1 89756773 VIBPOMOETPUWPP-OCCSQVGLSA-N 318.377 1.668 0 40 DDAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(CCO)CC1 20036961 SKLSXWXHUDNUMS-UHFFFAOYSA-N 307.438 1.275 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Sc1ncccn1 79044021 ZEYPOCBRTPPYPW-QWRGUYRKSA-N 310.423 1.234 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(N)C(=O)O 218576142 LIEZWOARQLCJMM-UMNHJUIQSA-N 303.767 1.023 0 40 DDAB COc1ccc(NC(=O)[C@H](c2ccccc2)n2cnnn2)cn1 79479299 HGFBLQJJQRLQLI-AWEZNQCLSA-N 310.317 1.305 0 40 DDAB CN(C[C@H](O)COCc1ccccc1)c1ncnc2[nH]ncc12 79002667 QDXMVBYHRZWYBB-ZDUSSCGKSA-N 313.361 1.367 0 40 DDAB O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccoc1 556776185 ZDPXEGRADHMLDQ-CYBMUJFWSA-N 307.327 1.480 0 40 DDAB COC(=O)[C@H](SC)Sc1nc2ccsc2c(=O)n1C 521394554 XDMGKXBJSDEWLE-SNVBAGLBSA-N 316.429 1.949 0 40 DDAB CC(=O)N1CCC(c2cncc(NCC3(C)COC3)n2)CC1 72365516 YIGFZBOPIBWTIB-UHFFFAOYSA-N 304.394 1.651 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)c1 126768130 ZCFFJFVQEQAWOK-NSHDSACASA-N 318.295 1.624 0 40 DDAB CNC(=O)c1nsc(C(=O)NCc2ccccc2Cl)c1N 62006748 JHYXLXHLIDIJHH-UHFFFAOYSA-N 324.793 1.668 0 40 DDAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCNC(=O)C2)c(Cl)c1 26195968 JWPOROMQWYTQAD-NSHDSACASA-N 309.797 1.716 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1[nH]ncc1C(N)=O 72388679 CXNHYJYERXUVAK-SECBINFHSA-N 305.363 1.251 0 40 DDAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(CC)c1 60817285 RITYOVRTCKDQBO-UHFFFAOYSA-N 323.374 1.964 0 40 DDAB CCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223130594 KVIQSENLXKPONX-TZMCWYRMSA-N 312.435 1.924 0 40 DDAB CCCCNS(=O)(=O)c1ccc2c(c1)N(CC)C(=O)CO2 227162104 YRIZTODGKAZNCQ-UHFFFAOYSA-N 312.391 1.510 0 40 DDAB COc1ccc(-c2nnc([C@H]3CCN(S(C)(=O)=O)C3)o2)cc1 49170927 OMOMBPPUCVEEEB-NSHDSACASA-N 323.374 1.494 0 40 DDAB biogenic,in-vitro COC[C@H](O)CN(C)C(=O)c1ccc(F)c(Br)c1 87451930 HBQUUJPZXJCDNY-SECBINFHSA-N 320.158 1.668 0 40 DDAB Cc1nnc([C@@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 84291321 LSQWDZVDFXFTTI-SCZZXKLOSA-N 304.354 1.141 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 96407703 MQWFYWHSSISDKX-NSHDSACASA-N 308.403 1.536 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2)N1CCCC1 96206850 MSZBJURSIAMGLF-WBVHZDCISA-N 319.405 1.533 0 40 DDAB CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1cccc(N)c1 96521381 ZVSIZCCHRHIFQA-QWRGUYRKSA-N 322.224 1.848 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2Cc2ccccn2)N1Cc1ccncc1 96055683 LGBZJUNWKANXQG-DLBZAZTESA-N 308.385 1.852 0 40 DDAB c1nc(N2CCC(c3nnc4n3CCC4)CC2)c2cn[nH]c2n1 98086751 WABLXQXXZQUEJV-UHFFFAOYSA-N 310.365 1.275 0 40 DDAB CCOC[C@H]1CN(c2ncc(F)cn2)Cc2cn(CC)nc21 96198088 XEYWSVGNBSLJFF-GFCCVEGCSA-N 305.357 1.972 0 40 DDAB CN(C)CCN(C)S(=O)(=O)c1cc(Cl)cc2c1OCC2 96502185 OPQOADVRXWMUJW-UHFFFAOYSA-N 318.826 1.457 0 40 DDAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)C1=O 96223900 HDLQQQAIRDBOOY-QGZVFWFLSA-N 318.421 1.031 0 40 DDAB Cc1nc(CN2CC[C@@]3(CNC(=O)CN3CC3CC3)C2)cs1 96238271 HEJCUKGMJWLCGS-MRXNPFEDSA-N 320.462 1.238 0 40 DDAB CN(C)C(=O)[C@@H]1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 96064741 WORDFVWBRFMPCC-XEZPLFJOSA-N 318.373 1.235 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(CN)C(=O)O 242687484 UIKGRSJWKLGRHI-LOWVWBTDSA-N 317.794 1.270 0 40 DDAB O=C(c1cccc(-n2cnnc2)c1)N1CC[C@H](c2ccn[nH]2)C1 257249007 JGGVUVAOYBMWPF-ZDUSSCGKSA-N 308.345 1.620 0 40 DDAB CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](OC)c1ccccc1 252484473 FXKLQVKSJQORAM-BRWVUGGUSA-N 318.417 1.696 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2CCC(F)(F)F)c1 257248257 JCVUDEBMMDDPKB-CYBMUJFWSA-N 315.339 1.945 0 40 DDAB Cc1n[nH]cc1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 257341244 ZJNGALYCFFQXCO-LLVKDONJSA-N 321.406 1.314 0 40 DDAB C[C@]1(COc2ccccc2)C[C@@H]2CN(CC(N)=O)CC[C@@H]2O1 257204139 ATEUUVIFDSBIRQ-UKPHBRMFSA-N 304.390 1.420 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccon3)CCO2)n1 257305506 SQIBJGZMPSRJQO-OAHLLOKOSA-N 316.361 1.658 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)Cn1ccnc1C 257299395 RPXFBQHCBCYUGK-OAHLLOKOSA-N 314.389 1.373 0 40 DDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3cc(C)on3)CCO2)n1 257286590 PMDXEJOXQPWCOV-CQSZACIVSA-N 302.334 1.482 0 40 DDAB COc1ccc(-c2ccnc(NC[C@@](C)(O)C(=O)O)n2)cc1 263545361 GNQZWXDIPOPTJP-OAHLLOKOSA-N 303.318 1.400 0 40 DDAB CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1Cc2ccccc2C1 390834201 UMMMUWVBFIPGDW-HUUCEWRRSA-N 301.390 1.368 0 40 DDAB CC(C)NC(=O)CNC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585287270 WIQVSFPMGOAYON-SRCQZFHVSA-N 324.396 1.458 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccsc1)C2 585110918 ZDRPCKNDDSNDKX-CYBMUJFWSA-N 316.430 1.813 0 40 DDAB CO[C@@H]1COC[C@@H](CNC(=O)c2cc3cccc(F)c3[nH]2)[C@@H]1O 585285400 PABKFLOJBBCLGP-YVLXSGLVSA-N 322.336 1.059 0 40 DDAB COc1ccc(C2=CCN(C(=O)CN3CCCC3=O)CC2)cc1 49274584 ZRGDLHFOUHJFPZ-UHFFFAOYSA-N 314.385 1.933 0 40 DDAB COC(=O)N1CCC[C@H](NC(=O)NCc2nc(C)cs2)C1 65620587 JPTRDHXARRYJCN-JTQLQIEISA-N 312.395 1.482 0 40 DDAB Cc1ccc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)nn1 663565036 SKHADAXFEHUOMR-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)N1CCCCCC1 5245959 YPLFZGMMLUQXBJ-UHFFFAOYSA-N 300.362 1.584 0 40 DDAB CN(CC(C)(C)S(C)(=O)=O)c1noc(-c2ccccc2)n1 158283378 WLKUDRLPLUDBTB-UHFFFAOYSA-N 309.391 1.996 0 40 DDAB Cc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 16849907 QQVKKESHLQFFMM-UHFFFAOYSA-N 315.373 1.494 0 40 DDAB C[C@H](OC(=O)c1ccccc1SC[C@@H]1CCCO1)C(N)=O 19606104 ACFCHJBYDQDITH-QWRGUYRKSA-N 309.387 1.988 0 40 DDAB CCOC(=O)C1=C(CN(C2CC2)[C@@H](C)C2CC2)NC(=O)NC1 31654876 XTICTKHWYSXIMD-JTQLQIEISA-N 307.394 1.379 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ncnc(C)c3F)CC2)no1 1776009302 COIUWIMVUNQVQT-UHFFFAOYSA-N 305.313 1.183 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc3ccc(F)cc3[nH]2)[C@H]1O 2037740461 MCKACYOFIIOZAU-KCPJHIHWSA-N 306.337 1.965 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(Cc2cccnc2)CC1 2055772754 YVQIYJSIGBQLHC-UHFFFAOYSA-N 313.405 1.358 0 40 DDAB Cc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1 8955087 QHEOTCHSCSAWCB-UHFFFAOYSA-N 314.370 1.622 0 40 DDAB O=C(O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC2(CC1)OCCO2 35898205 LUUTZQREDZURBN-MROQNXINSA-N 309.362 1.099 0 40 DDAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)COC)cc1 30228579 SFZPVHHDUFFKJG-UHFFFAOYSA-N 316.357 1.814 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H](C)O1 40488142 FJJJSQBPFRRJKN-BETUJISGSA-N 316.357 1.739 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1nnc2n1CCC2 40486280 LBSDXPCYLMABQU-BMIGLBTASA-N 314.345 1.069 0 40 DDAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1F 40497568 ZJRYWEPWZXWDGI-UHFFFAOYSA-N 319.321 1.602 0 40 DDAB CCc1nn(-c2ccccc2)c(NC(=O)Cn2ccnn2)c1C 20599072 FDQVBBOOMWJHFZ-UHFFFAOYSA-N 310.361 1.973 0 40 DDAB CCc1ccccc1N1C(=O)C[C@H](SC[C@H](N)C(=O)O)C1=O 257824 NDGHKFVGMXQVJA-JQWIXIFHSA-N 322.386 1.026 0 40 DDAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1 413227 GBOHSHCWMSXYJF-UHFFFAOYSA-N 322.390 1.509 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)CNC1=O)C12CC3CC(CC(C3)C1)C2 60504593 GKZJYYRYZRBDKC-LKBWSCCASA-N 319.405 1.259 0 40 DDAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2cnnn2)cc1 21384481 DIODZLSQDHPJAQ-OAHLLOKOSA-N 321.340 1.916 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC 1761445 SMJHXRNGHOVVQS-VWYCJHECSA-N 316.423 1.000 0 40 DDAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2ccsc2)CC1 32772226 HSUNCWQQQKSXRX-CQSZACIVSA-N 322.430 1.896 0 40 DDAB Cn1cc(NC(=O)N2CCN(c3ccccc3O)CC2)cn1 76073676 GHUPECOOLVDXKK-UHFFFAOYSA-N 301.350 1.480 0 40 DDAB CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O 41395609 QJYSVMVRLBBYQK-UHFFFAOYSA-N 315.167 1.623 0 40 DDAB C[C@H](NC(=O)CCc1cccc(Br)c1)C(=O)O 37410158 MHNRUSRIFKXWJW-QMMMGPOBSA-N 300.152 1.971 0 40 DDAB CC(C)[C@@H]1NC(=O)N(CC(=O)N2CCc3sccc3C2)C1=O 22321693 YOFWBRBUKJCDCD-ZDUSSCGKSA-N 321.402 1.209 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1 22682417 AFDFGSSSYLTRGZ-CQSZACIVSA-N 303.337 1.547 0 40 DDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1cccnc1 42309940 KASISNKBZLAOHJ-HNNXBMFYSA-N 322.434 1.411 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCc2c1cnn2C 24986285 BJLVIOWFQLMMAE-CMPLNLGQSA-N 316.361 1.325 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 106838910 AXJOIZCFEVOIAT-KBPBESRZSA-N 322.409 1.296 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccn1 25470821 HDLJPHHEEFDKBD-CQSZACIVSA-N 317.414 1.946 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1 48009612 AGNRFSXDZIRGTE-NSHDSACASA-N 323.374 1.037 0 40 DDAB O=C([C@H]1CSCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC1 108457275 UVZMJZJBXBHKFJ-FDYHWXHSSA-N 310.419 1.078 0 40 DDAB O=S(=O)(NC[C@@H]1CCCCN1)c1ccc(F)c(F)c1F 44492502 BMBYYRFOOWXTAB-QMMMGPOBSA-N 308.325 1.524 0 40 DDAB Cc1ccc2c(CC(=O)NC[C@H]3CCS(=O)(=O)C3)coc2c1 44718902 RMHHYAVGNGLTFY-GFCCVEGCSA-N 321.398 1.835 0 40 DDAB CNC(=O)NC(=O)CN(C)Cc1ccc(SC(F)F)cc1 58193548 RRZVBODCRZGWIQ-UHFFFAOYSA-N 317.361 1.889 0 40 DDAB COc1ccc(N(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cn1 58269345 XTSADIHTSNMIRT-SNVBAGLBSA-N 309.366 1.966 0 40 DDAB O=C(NCCN1CCOCC1)c1c(Cl)nc2ccccn12 44944080 VCBAMGWHFRLFOI-UHFFFAOYSA-N 308.769 1.050 0 40 DDAB FC(F)(F)c1cc(N2CCN3CCC[C@@H]3C2)n2ncnc2n1 58308288 QESOXJIZPDFRBW-SECBINFHSA-N 312.299 1.428 0 40 DDAB CC(C)(C)CC(=O)NCC(=O)N1CCC(n2ccnc2)CC1 58380266 GWHHIRSYUNKOSB-UHFFFAOYSA-N 306.410 1.599 0 40 DDAB CCc1nnsc1C(=O)NCc1ccc(-n2cncn2)nc1 48343397 WXOPJPKFBDIBMN-UHFFFAOYSA-N 315.362 1.006 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCN(c2ccccc2O)CC1 48300920 NEPDGDCITBOFFN-UHFFFAOYSA-N 301.350 1.147 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1OC 2471503 INJGQFMHYGNWCJ-CYBMUJFWSA-N 322.386 1.670 0 40 DDAB CSc1nnc(-c2ccc(O)cc2)n1CCN1CCOCC1 26417285 IFNQTKFPORLXIZ-UHFFFAOYSA-N 320.418 1.705 0 40 DDAB CC[C@H](O)CN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 110621566 BLMRDTHFNHOYMO-INMHGKMJSA-N 320.433 1.900 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 70021846 NXCVYIKJDRKTSA-VIFPVBQESA-N 320.220 1.471 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592761 GQXYONQRWOYUIP-UHFFFAOYSA-N 309.410 1.794 0 40 DDAB O=C(COC(=O)c1ccncc1)Nc1ccc2c(c1)OCCO2 3508912 OLYKQNNSMIZXII-UHFFFAOYSA-N 314.297 1.648 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@H](O)COCc1ccccc1)CC2 70020939 QVUWAGTUZIRFMB-CVEARBPZSA-N 316.405 1.069 0 40 DDAB c1ccc(-n2ncc(CN3CCC[C@H](Cn4cncn4)C3)n2)cc1 69919106 AOFAFRBOVVLWNB-HNNXBMFYSA-N 323.404 1.771 0 40 DDAB CCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 69917357 RWYFSDVMWIHDTL-ZDUSSCGKSA-N 322.409 1.919 0 40 DDAB CCCCCOc1ccc(NC(=O)C(=O)NCCCO)cc1 3667373 BTRJTQJTFKPZIY-UHFFFAOYSA-N 308.378 1.693 0 40 DDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H](n2cccn2)C1 69349426 MHBIHAKUJNSMLD-HNNXBMFYSA-N 322.372 1.941 0 40 DDAB CN(C)[C@@H](CNC(=O)C1CCN(C(N)=O)CC1)c1ccsc1 69460111 OAAPSDDHFMWWNV-ZDUSSCGKSA-N 324.450 1.258 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1nnc(C(F)(F)F)[nH]1 69457892 ICJWPCWSSPTYAV-ZETCQYMHSA-N 319.287 1.553 0 40 DDAB O=C1CO[C@H]2CN(c3ncccn3)C[C@H]2N1Cc1ccccc1 67897354 MNVREIPWMGQHRV-CABCVRRESA-N 310.357 1.093 0 40 DDAB biogenic,in-vitro Cc1cn2c(/C=C/C(=O)N[C@H]3CCCNC3=O)c(C)nc2s1 65140265 IGUHALLUGNKPSS-QRGHLMKCSA-N 318.402 1.421 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1n[nH]c(N)n1 6488907 WVIBLUVLUHGBSQ-UHFFFAOYSA-N 323.378 1.484 0 40 DDAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN(CCO)CCO 28297086 FINIYVIRIUXIBZ-INIZCTEOSA-N 320.433 1.214 0 40 DDAB NS(=O)(=O)c1cc(C(=O)N(C2CCCC2)C2CC2)cs1 69529354 IUQQBWJLXFCRHY-UHFFFAOYSA-N 314.432 1.943 0 40 DDAB CC(C)(C)n1c(=O)[nH]c(O)c([C@@H]2NCCc3ccccc32)c1=O 20463189 PRFPXWQFRQBELP-CYBMUJFWSA-N 315.373 1.232 0 40 DDAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCO)cc1 4689612 LZVIZCPAGAZJBW-UHFFFAOYSA-N 314.341 1.670 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3cccn3C)CC2)n1 69560130 AIDPULOEDLPZIU-UHFFFAOYSA-N 315.377 1.176 0 40 DDAB Cc1cc(COC(=O)CCN2C(=O)COc3ccccc32)no1 5565752 CXBBEPZYADYRNN-UHFFFAOYSA-N 316.313 1.842 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408602285 CSGJYBLCMMNFHT-LLVKDONJSA-N 314.407 1.197 0 40 DDAB CS(=O)(=O)CCNC(=O)N1CCC2(CCCCC2)CC1 69623844 BMJMGDZTCIIMLA-UHFFFAOYSA-N 302.440 1.787 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nccs1 8521108 KZTVTDJYDCBXLM-UHFFFAOYSA-N 308.363 1.336 0 40 DDAB COC(=O)c1cc(Br)c(=O)n(Cc2ccccn2)c1 4900858 YOGLBEVLSHLMQX-UHFFFAOYSA-N 323.146 1.841 0 40 DDAB Cn1ncc2c(=O)n(Cc3ncc(-c4cccs4)o3)cnc21 67428797 RLTQQSCEMRLSNA-UHFFFAOYSA-N 313.342 1.895 0 40 DDAB CCCCS(=O)(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 67717882 ZNMIQOWOYFLXTE-QLFBSQMISA-N 318.483 1.690 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 69895744 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O=C(CN1CCCNC1=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 96414491 IXWRQZYWZVOGFQ-HZPDHXFCSA-N 315.417 1.929 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(C/C=C/c2ccccc2)CC1 71815223 USIZVOSKVPXAFB-VMPITWQZSA-N 323.396 1.846 0 40 DDAB CCc1ncc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)s1 71841620 YTCQYWCYTPBWTO-JTQLQIEISA-N 308.407 1.335 0 40 DDAB CCCC[C@@H](CC)C(=O)N1CCC(CS(N)(=O)=O)CC1 71896182 FFRHCDZZCDVZDU-CYBMUJFWSA-N 304.456 1.730 0 40 DDAB Cc1cnn(C[C@@H](C)NCc2cc(=O)n3c(C)csc3n2)c1 71872155 RPFNYGSJYMSVDH-LLVKDONJSA-N 317.418 1.748 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1 71846598 PFJVVWTZMLQMLJ-OAHLLOKOSA-N 324.340 1.481 0 40 DDAB O=C(Oc1ccc2[nH]ncc2c1)c1cnc2sccn2c1=O 84490016 IJGLOHLUXFCPEW-UHFFFAOYSA-N 312.310 1.852 0 40 DDAB O=C(Nc1ccc(Cn2cncn2)cc1)c1[nH]nc2c1CCC2 95480208 AWUGYCVFMOHYTN-UHFFFAOYSA-N 308.345 1.791 0 40 DDAB CCNC(=O)N[C@@H]1CN(Cc2ccccc2N(C)C)C[C@@H]1OC 95405139 ZQNYEKBJFRCSJE-ZBFHGGJFSA-N 320.437 1.271 0 40 DDAB O=C(OCCn1cc(Br)ccc1=O)c1cccnc1 95463488 GVAWTRWYXQUTAZ-UHFFFAOYSA-N 323.146 1.863 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c(F)c1 95433902 OIYMRNDFWAYOQJ-NSHDSACASA-N 307.369 1.619 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ncc[nH]3)C2)o1 95402366 LTRPWWPAZVHXMD-CYBMUJFWSA-N 317.393 1.583 0 40 DDAB CO[C@@]1(C)C[C@H](NC(=O)c2c(C)nn3cccnc23)C1(C)C 73271302 CTJJFVXLZJMQIF-ZBEGNZNMSA-N 302.378 1.971 0 40 DDAB Cc1cccc(NC(=O)CN(C)[C@H]2Cc3ccccc3[C@@H]2O)n1 95987229 GYAQJOHCDSSAJP-YJBOKZPZSA-N 311.385 1.919 0 40 DDAB COC(=O)c1sccc1Cn1cc(Cl)c(=O)[nH]c1=O 89404211 IUGWIDWQESJFRD-UHFFFAOYSA-N 300.723 1.086 0 40 DDAB O=C(CCCNC(=O)C1CC1)N[C@@H]1c2ccccc2C[C@H]1O 75092548 LOYQQBUUVQHGBE-GDBMZVCRSA-N 302.374 1.067 0 40 DDAB C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1N(C)C 89581232 ZVYLRYWOIOVQFM-GFCCVEGCSA-N 313.467 1.731 0 40 DDAB C[C@@H]1CN(C)CCN1CC(=O)NCCc1c(F)cccc1F 89939038 AKWXMGITHBGCBH-GFCCVEGCSA-N 311.376 1.259 0 40 DDAB COc1cc2c(cc1Nc1ncc(C)c(=O)n1N)CCCC2 408979628 NKQLBYVCNJIXKC-UHFFFAOYSA-N 300.362 1.897 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC23OCCO3)cc1 1557575497 SFHUPFQALHUPLI-CQSZACIVSA-N 316.357 1.837 0 40 DDAB COc1cc(NC(=O)Cc2ccc(OC)c(OC)c2)ncn1 75166438 QAYONMSOUNOICZ-UHFFFAOYSA-N 303.318 1.684 0 40 DDAB CCOC(=O)C1CCN([C@@H](CC)C(=O)Nc2cc(C)on2)CC1 32758070 HQNDSLULLKPXHU-ZDUSSCGKSA-N 323.393 1.975 0 40 DDAB C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)[C@@H](C(N)=O)C1 188581606 WFEQXJHOKRVCSR-MLGOLLRUSA-N 300.402 1.830 0 40 DDAB O=C(/C=C/c1ccccc1)NC[C@@]1(OCCO)CCSC1 1565520152 HFMDDIQJOUSQPB-MOEXGYKKSA-N 307.415 1.701 0 40 DDAB C[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cncs2)C1 72388817 MTNNNHQUEDHQMD-AWEZNQCLSA-N 319.390 1.159 0 40 DDAB O=C(NCC[C@@H](O)c1ccco1)c1ccc2c(c1)OCCO2 72259946 YJFNGNQTENXKTA-GFCCVEGCSA-N 303.314 1.904 0 40 DDAB Cc1ncsc1COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 78984863 WLOCYCCUJSXBMA-QMMMGPOBSA-N 322.308 1.906 0 40 DDAB C[C@@H](O)C[C@H]1COCCN1C(=O)c1cnc2ccccc2n1 185969848 FGJPPEQHIFHXTH-NEPJUHHUSA-N 301.346 1.242 0 40 DDAB COCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 40285071 HMYHOPDWXIOOBF-UHFFFAOYSA-N 305.256 1.192 0 40 DDAB Cn1nc(C(=O)Nc2ccon2)cc1NC(=O)c1ccccc1 46088934 DGDLHAXVYYEUKM-UHFFFAOYSA-N 311.301 1.913 0 40 DDAB Cn1nnn(-c2ccc(NC(=O)Nc3cccs3)cc2)c1=O 75163170 YTGHZYUDLAWYRM-UHFFFAOYSA-N 316.346 1.672 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCc2[nH]cnc2C1 225515462 YIQVRIJCAVHHSX-VXGBXAGGSA-N 313.357 1.471 0 40 DDAB O=C(Cc1ccc(F)c(Br)c1)N[C@H]1CCCNC1 195542737 LXDDAVHUVUTKFY-JTQLQIEISA-N 315.186 1.999 0 40 DDAB COc1ccc([C@H](N)c2n[nH]c(-c3ccncc3)n2)cc1OC 95533786 RKQVVCUYZDSLHV-AWEZNQCLSA-N 311.345 1.932 0 40 DDAB Cc1ccc(N2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)nn1 96239190 LMEYEEZPZFUAQS-MRXNPFEDSA-N 310.361 1.208 0 40 DDAB c1cc2nnnn2nc1N1CCC[C@@H](N2CCCCCC2)C1 96404811 IKCTXONYJXMNOV-CYBMUJFWSA-N 301.398 1.364 0 40 DDAB CC[C@@H](CNc1ccc(C(N)=O)nn1)Oc1cccc(F)c1 96460831 LMRPSUQDORISFM-NSHDSACASA-N 304.325 1.984 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)c1ccccc1)CC2 96443371 AKWISLOTWYYTNB-MRXNPFEDSA-N 318.398 1.430 0 40 DDAB O=C1CC[C@]2(CCCN(S(=O)(=O)c3cccs3)CC2)N1 96217618 YEUGORLTWULIOD-ZDUSSCGKSA-N 314.432 1.572 0 40 DDAB O=C(c1ccccn1)N1CCn2c(Cn3cccn3)cnc2C1 96061819 GCFHSKBPVNEWFT-UHFFFAOYSA-N 308.345 1.179 0 40 DDAB CCN1C[C@@H](C(=O)NCCc2cc3ccccc3o2)CC1=O 96417079 XEMPVRXGTSXLEI-ZDUSSCGKSA-N 300.358 1.960 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)Cn2ccccc2=O)C12CCCC2 96432572 HKVPIBBWQYEZMH-UONOGXRCSA-N 304.390 1.702 0 40 DDAB Cc1occc1C(=O)NCC(=O)N(C)c1ccc2c(c1)CCO2 97096097 VAKUUIBLTWYTJZ-UHFFFAOYSA-N 314.341 1.916 0 40 DDAB Cc1csc(CN2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)n1 96206833 SYOHNQVWALQJRQ-LSDHHAIUSA-N 307.463 1.994 0 40 DDAB Cn1cc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cn1 96296458 MWBDFGWTDGSOGV-INIZCTEOSA-N 323.400 1.972 0 40 DDAB biogenic,in-vitro CCOC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242592226 ONIIGKKBVHFCNV-UPJWGTAASA-N 303.811 1.584 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)n1 257270934 MWFXKFCCAKIQQJ-AWEZNQCLSA-N 315.377 1.095 0 40 DDAB CCn1ccc(C(=O)N2CCO[C@@H](c3ccc(C)cn3)C2)n1 257236324 HBPFHZLOCOPLOE-OAHLLOKOSA-N 300.362 1.820 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccccc2C)n1 257236245 HBILNODLDRLJBL-ZDUSSCGKSA-N 321.402 1.789 0 40 DDAB CN(CCC(=O)N1CC[C@H](c2ccn[nH]2)C1)Cc1ccccn1 257282751 OVDKZOVJKGRDHK-AWEZNQCLSA-N 313.405 1.643 0 40 DDAB CN1CCN(C(=O)CCc2ccnn2C)C[C@@H]1c1ccccc1 257205425 AYYWTDUPHVYCDD-QGZVFWFLSA-N 312.417 1.868 0 40 DDAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c(=O)n(C)c1=O 255190156 VHYALFSKKDWPGV-UHFFFAOYSA-N 318.329 1.030 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnccn2)[C@@H](c2ccccc2)C1 257220368 DKNXPFOGONDHOX-MRXNPFEDSA-N 310.357 1.522 0 40 DDAB O=C(CCCc1cn[nH]c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257291408 QGVFMCXDPLFESS-HZPDHXFCSA-N 315.373 1.383 0 40 DDAB CCOc1ccc(-n2nc(C(=O)O)c(N3CCOCC3)n2)cc1 256047168 KVTHPXKQCKDXFS-UHFFFAOYSA-N 318.333 1.201 0 40 DDAB Cc1ccc(N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)nc1 257343080 ZRKIYUYUVTUEIJ-LBPRGKRZSA-N 320.418 1.901 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1Cc1ccc(C(=O)O)cc1 585277462 LZVYWAGPICPAOB-INIZCTEOSA-N 306.362 1.241 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1cccnc1)C2 585110791 GQHMTXYYDNTABE-CQSZACIVSA-N 311.389 1.147 0 40 DDAB COc1ccc(COC(=O)C2=NN(C)C(=O)CC2)cc1OC 58380480 WPQFRNKDZKAVHZ-UHFFFAOYSA-N 306.318 1.355 0 40 DDAB Cc1nnc([C@H](C)N2CCN(Cc3c(C)noc3C)CC2)o1 71836904 PBIXFZSBAOWSMJ-NSHDSACASA-N 305.382 1.862 0 40 DDAB O=C(O)c1cnc(N2CCSCC2)nc1-c1cccnc1 169751189 NWWCNYKBVSLVNF-UHFFFAOYSA-N 302.359 1.790 0 40 DDAB O=C([C@@H]1CCCN(c2ccncc2Cl)C1)N1CCOCC1 301558675 HXNNKHWEWLGMTM-GFCCVEGCSA-N 309.797 1.810 0 40 DDAB NC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2F)C1 71836896 TXALLOHDGNAUQV-MRVPVSSYSA-N 301.159 1.895 0 40 DDAB C[C@@H](CC(=O)O)CC(=O)N1CCN(c2ccccc2F)CC1 17031705 RCLOHJMARLODMD-GFCCVEGCSA-N 308.353 1.975 0 40 DDAB c1cc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)ccn1 19405258 NCZQWMJSJHDACI-INIZCTEOSA-N 321.388 1.795 0 40 DDAB Cc1cc2ncc(NC(=O)[C@@H]3COc4ccccc4O3)cn2n1 206737214 IPWOCPFKLRMPIH-AWEZNQCLSA-N 310.313 1.816 0 40 DDAB COCc1nsc(N2CCN(Cc3ccccc3)C(=O)C2)n1 1889109001 LNRPMSHCGTUVBZ-UHFFFAOYSA-N 318.402 1.533 0 40 DDAB c1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)nc1 1889139827 DDIXPKPVDOQYJC-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB O=C1CS[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 19799366 DVSQDKXRVUHQKO-HNNXBMFYSA-N 310.394 1.732 0 40 DDAB CC(C)(CNC(=O)[C@H]1COc2ccccc2O1)N1CCOCC1 23624824 OFBQPVSPDSNDCL-OAHLLOKOSA-N 320.389 1.053 0 40 DDAB Cc1cc(-c2noc(CNC(=O)NCc3ccco3)n2)no1 238849255 JBMGXJRGNNQAGZ-UHFFFAOYSA-N 303.278 1.625 0 40 DDAB Cc1cccc(OCC(=O)NCc2n[nH]c(=O)c3ccccc23)c1 5313288 KYFGZFFHJUZUIL-UHFFFAOYSA-N 323.352 1.927 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352764 FDPGLPBMLKMYNU-NSHDSACASA-N 324.402 1.166 0 40 DDAB COc1ccccc1NC(=O)C(=O)NCC1CCN(C)CC1 22999078 ADTHUZFPIAQQCD-UHFFFAOYSA-N 305.378 1.092 0 40 DDAB Cn1cccc(C(=O)NCCn2cc(-c3ccoc3)cn2)c1=O 575614702 BRFWWAJRXQLIBH-UHFFFAOYSA-N 312.329 1.272 0 40 DDAB O=C1CCC(=O)N1CCSc1nc(-c2cccs2)n[nH]1 23103652 YUCJHKQHPJKJIZ-UHFFFAOYSA-N 308.388 1.774 0 40 DDAB COC(=O)c1cc(NC(=O)C(=O)NC2CCCC2)ccc1O 40266186 QAXANIFHMJHASE-UHFFFAOYSA-N 306.318 1.176 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)C[C@H](C)O1 40498088 VPLUZDOTBRANGZ-QWRGUYRKSA-N 319.336 1.171 0 40 DDAB CCOC(=O)c1cnc2ccccc2c1N(C)CC(=O)N(C)C 50928664 HMSGDEVXPCLBHS-UHFFFAOYSA-N 315.373 1.936 0 40 DDAB CCn1cnnc1CNC(=O)c1cc(Cl)c(OC)c(OC)c1 40535060 ZXSXZMFHZAAAHG-UHFFFAOYSA-N 324.768 1.899 0 40 DDAB CC[C@@](C)(CNC(=O)c1cn2ccccc2n1)N1CCOCC1 40523109 SNEMPQQEGIMCAD-KRWDZBQOSA-N 316.405 1.565 0 40 DDAB COc1cccc(N2C[C@@H](C(=O)Nc3cn[nH]c3)CC2=O)c1 40512211 HDHRRIZPUBBAHF-JTQLQIEISA-N 300.318 1.410 0 40 DDAB C[C@@H](NC(=O)c1nn(C)cc1C(=O)O)c1ccc2c(c1)OCO2 20614871 MSBXNNUXNAMLMN-MRVPVSSYSA-N 317.301 1.338 0 40 DDAB COc1ccc2c(ccn2CC(=O)N[C@@H]2C=CS(=O)(=O)C2)c1 20745093 IREBDXXQYQBVCH-GFCCVEGCSA-N 320.370 1.077 0 40 DDAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC1CCCCC1 101648103 XKUHTUSHTWEUBD-APYUEPQZSA-N 316.401 1.633 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1F 32402068 WCQIEIMNSACIOS-UHFFFAOYSA-N 300.355 1.020 0 40 DDAB Cc1cc(C)nc(N(C)NC(=S)NC(=O)c2ccccc2)n1 387673 VORPQUCDSMJZQV-UHFFFAOYSA-N 315.402 1.749 0 40 DDAB O=C(O)[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C1 92181715 APMYVDVTHOUBTM-JGVFFNPUSA-N 319.741 1.787 0 40 DDAB COc1ccc([C@@H](O)CNC[C@H]2CNc3cc(C)nn3C2)cc1 69560804 NKLRKPZKKYCQCS-BBRMVZONSA-N 316.405 1.565 0 40 DDAB CCOC(=O)COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1 2488650 MJQZSWSYPVCYIT-YPMHNXCESA-N 311.359 1.417 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)C1CCCC1 69660362 PVMDEYYTSIZLGX-HZPDHXFCSA-N 318.421 1.742 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccco2)o1 4828467 IJOTYTJIBIDLRV-UHFFFAOYSA-N 310.335 1.658 0 40 DDAB CN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 6949683 XUKOFAVAZBXLQB-UKTHLTGXSA-N 312.285 1.908 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(OC)cc1F 7413976 GKBPLQBJVCJUAW-UHFFFAOYSA-N 312.297 1.227 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)O[C@]1(C)[C@@H]1[C@@H]3C=C[C@](C)(O3)[C@H]12 104044159 XWPHQVZRCZJWTC-RCUCLFIJSA-N 320.341 1.150 0 40 DDAB CCc1ccccc1NC(=O)Cn1cc(C(=O)O)ccc1=O 41670280 HYLXNMQXLYXKPX-UHFFFAOYSA-N 300.314 1.748 0 40 DDAB O=C(NCc1cccnc1)N1CCN(Cc2ccco2)CC1 53246363 KNFCMMNUKXMJKC-UHFFFAOYSA-N 300.362 1.702 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)NCCNc2ncccn2)on1 47058365 QWDFCJOCZPVTIR-GFCCVEGCSA-N 316.365 1.732 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cccc[n+]2[O-])C1 53304755 PXIATBZKJDFBJS-ZIAGYGMSSA-N 305.422 1.806 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(-c3ccsc3)no1)C2 69742826 JOUGDWXTZVKSBZ-UHFFFAOYSA-N 316.390 1.968 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1ccccc1NS(C)(=O)=O 24888001 UYQZUGSBLRNPLI-UHFFFAOYSA-N 323.374 1.844 0 40 DDAB O=CN1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1 3287416 WBBLHOPJEQXGGK-SNAWJCMRSA-N 323.190 1.763 0 40 DDAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 25467825 ZPVLMTZRGJRWJG-NSHDSACASA-N 319.386 1.528 0 40 DDAB CC(C)(NC(=O)COc1ccccc1C(F)(F)F)C(N)=O 57050938 DUMVRTHIIUOKBT-UHFFFAOYSA-N 304.268 1.464 0 40 DDAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@@H](Cc2ccccc2)C1 108167434 OAEISYXGSBYHIV-LTIDMASMSA-N 316.401 1.959 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)s1 107251662 XIQGPTANKSBQCQ-ZIAGYGMSSA-N 321.446 1.320 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cccc3cnccc23)C1 62132714 FLUHWSHBOVFYNF-NSHDSACASA-N 306.343 1.330 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2cnccn2)CC1 44448804 NUDDFENOBOVAHG-UHFFFAOYSA-N 301.350 1.039 0 40 DDAB Cc1ccc([C@@H](CNCc2c[nH]nc2C)N2CCOCC2)o1 97159414 MVANMADASHKSIW-OAHLLOKOSA-N 304.394 1.783 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)Nc2nccs2)cc1 25966637 BTZMWICLRJNAAZ-UHFFFAOYSA-N 311.388 1.362 0 40 DDAB COC(=O)c1ccoc1Cn1c(-c2ccccn2)noc1=O 58298414 YMGNJACEQGZHLX-UHFFFAOYSA-N 301.258 1.326 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(Cl)s1 44955190 NMVBYBCEQSLJES-JTQLQIEISA-N 317.842 1.921 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 58393367 WIQMKCXRZFXYNH-MCIONIFRSA-N 323.485 1.382 0 40 DDAB O[C@H](Cn1nnc(-c2cccnc2)n1)c1ccc(F)cc1F 58304648 QCMOIOXQGHWWFP-CYBMUJFWSA-N 303.272 1.747 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)NCc1ncc(Cl)n1C 58316814 FKQKOQKMFQTKEG-VIFPVBQESA-N 306.819 1.282 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1cc(Cl)cn1 58305102 QRIWDSASSGJUEW-AWEZNQCLSA-N 304.781 1.667 0 40 DDAB N=c1c2c3c(sc2ncn1CCN1CCOCC1)CCCC3 2226479 OWUPRYVIZKXVOO-UHFFFAOYSA-N 318.446 1.788 0 40 DDAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCCC2)c1 3349058 UGHUQDCPAJMJNH-ZDUSSCGKSA-N 319.405 1.576 0 40 DDAB O=S(=O)(NC[C@H](O)COCc1ccco1)c1cccs1 3308391 JGYNBZUWTGQZNY-JTQLQIEISA-N 317.388 1.197 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)CCc1n[nH]c(=S)[nH]c1=O 11257892 IURKCSSAPWSTOP-JTQLQIEISA-N 318.402 1.946 0 40 DDAB Cc1cc(C)cc(-n2ncc3c(=O)n(CCC(N)=O)cnc32)c1 45730667 ALHVSHIBGKTYRS-UHFFFAOYSA-N 311.345 1.074 0 40 DDAB CCc1c(C(=O)N2CCCCC2)cnn1-c1ccc(=O)[nH]n1 12989670 DMUACVYIPVZJRU-UHFFFAOYSA-N 301.350 1.144 0 40 DDAB COC(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)cc1 69974929 QOPXYTGGBVRZPM-GFCCVEGCSA-N 316.313 1.333 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)CSC)cc1OC 13184028 LQSRBCCZCLBEKH-JTQLQIEISA-N 313.375 1.699 0 40 DDAB C[C@@H](NC(=O)Cn1nc(O)c2ccccc2c1=O)c1ccccn1 8710858 KTVMNISRKIFRDF-LLVKDONJSA-N 324.340 1.375 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)n(C)n1)CC2 96420928 AWKHSMXCHQBABW-UONOGXRCSA-N 307.394 1.121 0 40 DDAB Cc1nnc(NC(=O)CCn2c(=O)n(C)c3ccccc32)s1 14051256 YCFWHVRZFZTTMZ-UHFFFAOYSA-N 317.374 1.529 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(=O)OC)cc1 65518705 OMOZDLOPUPNEBJ-GFCCVEGCSA-N 322.386 1.723 0 40 DDAB COC[C@H](C)NC(=O)[C@H]1CCN(c2ccc(C)c(C)c2)C1=O 65536781 WHQXJFHAZFMOFG-DZGCQCFKSA-N 304.390 1.807 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n(C)n1 65623387 VKZKCWDIZWFJAR-NSHDSACASA-N 316.336 1.859 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1c(Cl)nc3ccccn13)C2 71185960 PVGYWJJSTTTYDG-UHFFFAOYSA-N 316.752 1.544 0 40 DDAB C[C@H](C(=O)NC(C)(C)C)N(C)Cc1nc2ccccc2c(=O)[nH]1 14926015 NBSDPNIDNQIBTJ-LLVKDONJSA-N 316.405 1.658 0 40 DDAB O=C(Cc1ccccc1F)N1CCN(C(=O)NC2CC2)CC1 66888253 QVCYXBOCIFRRAF-UHFFFAOYSA-N 305.353 1.384 0 40 DDAB CC(C)NC(=O)CNC(=O)CSc1nc2ccccc2n1C 7154088 ZWRMFAXHXWOOSJ-UHFFFAOYSA-N 320.418 1.306 0 40 DDAB COc1ccccc1CCNS(=O)(=O)c1c(C)noc1C 7309310 NXRZGTXDGDMEIL-UHFFFAOYSA-N 310.375 1.821 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)N(C(C)C)C2CC2)CC1 68355525 VLJPGOLODDNRDL-UHFFFAOYSA-N 316.467 1.884 0 40 DDAB CC(=O)N(C)C1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 68576198 MYKOYMIYTHNYCI-CYBMUJFWSA-N 309.454 1.767 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1 7973439 DDURAWRRGINRPE-UHFFFAOYSA-N 319.382 1.899 0 40 DDAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2Br)CN1 19735784 UUMSLFKYJJTLBB-SCZZXKLOSA-N 300.152 1.731 0 40 DDAB O=C1NCCCC[C@@H]1Nc1cc(-c2ccccc2)nc2ncnn12 68320492 CCXZTLFNHLIXIJ-ZDUSSCGKSA-N 322.372 1.872 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)o1 69439040 AZUMXPFAGJGACP-QMMMGPOBSA-N 305.377 1.192 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2cccnc2)[C@H](C)C1 72300638 YMQWGRJHDJMUKY-HIFRSBDPSA-N 311.451 1.620 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)Nc1cccc(Oc2ncccn2)c1 71818882 FODKVSZKEAVYSX-SNVBAGLBSA-N 315.333 1.525 0 40 DDAB CNC(=O)c1ccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 71904635 FUVQHNIKPITKBF-VXGBXAGGSA-N 312.435 1.300 0 40 DDAB Cc1noc(C)c1-c1nn2c(-c3cnn(C)c3)nnc2s1 95478434 LBSPARBRLKUJRR-UHFFFAOYSA-N 301.335 1.858 0 40 DDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC1 95949457 LNSZZBZCEUYZNG-AWEZNQCLSA-N 303.341 1.527 0 40 DDAB CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccn(C)c(=O)c2)C1 95954924 SFCLQTADJGTGQN-HOCLYGCPSA-N 319.449 1.902 0 40 DDAB C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)O 95970490 HPNFVWVSYQBBMV-VXGBXAGGSA-N 322.361 1.311 0 40 DDAB CCN(Cc1cccs1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 95978489 CUCDAPPZERPTDI-GFCCVEGCSA-N 323.462 1.682 0 40 DDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CCC[C@H]1O 95979192 ASTPZEJINGUMKM-VXGBXAGGSA-N 319.327 1.634 0 40 DDAB Cc1cc(N2CCC(O)(c3ccnn3C)CC2)nc(C2CC2)n1 1548520434 MSTXJHKMECTMDY-UHFFFAOYSA-N 313.405 1.884 0 40 DDAB Cn1cnc2c(c1=O)OCCN(C(=O)c1cccc(Cl)c1)C2 306127202 FRMWLVOINNHEDA-UHFFFAOYSA-N 319.748 1.469 0 40 DDAB Cc1c2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2nn1C 32647249 MEQXCWOJHJKHOH-UHFFFAOYSA-N 315.308 1.216 0 40 DDAB CC(=O)c1cccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1 217392303 FZXRJAAPJKCNHP-UHFFFAOYSA-N 316.313 1.487 0 40 DDAB O=C(NCC[C@H](O)c1ccco1)c1ccc2c(c1)OCCO2 72259947 YJFNGNQTENXKTA-LBPRGKRZSA-N 303.314 1.904 0 40 DDAB CCc1nnc(NS(=O)(=O)c2cnn(C(C)C)c2)s1 72239140 GYUQJTXFZFDPLG-UHFFFAOYSA-N 301.397 1.679 0 40 DDAB C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1c1ccccc1 74030611 AWSLQWIXBYFGIZ-JSGCOSHPSA-N 324.384 1.841 0 40 DDAB CCOC(=O)C1=C(CN(CC)Cc2ccco2)NC(=O)NC1 30275111 UETMHQCBKUOOAI-UHFFFAOYSA-N 307.350 1.232 0 40 DDAB COC[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218469658 FIWUXWIFWKYTGM-NTZNESFSSA-N 302.323 1.054 0 40 DDAB COc1ccccc1S(=O)(=O)[C@H](C)C(=O)Nc1cc(C)no1 78556400 SHYFRUMJFAVMNH-SNVBAGLBSA-N 324.358 1.793 0 40 DDAB COc1cccc(-c2ccc(=O)n(CN3CCOCC3)n2)c1 72405819 WSVPZRPWXFMODV-UHFFFAOYSA-N 301.346 1.209 0 40 DDAB CCC[C@]1(CO)CCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 565454013 UKDZJOUFVLBTOL-INIZCTEOSA-N 315.377 1.287 0 40 DDAB COC(=O)C[C@@H](C(=O)OC)N1CCN(c2ccc(F)cc2)CC1 35771932 IPLDTCDLPTULJO-AWEZNQCLSA-N 324.352 1.052 0 40 DDAB COc1cc(S(=O)(=O)Nc2nnc[nH]2)c(OC)cc1Cl 72414440 IRJGTYIHIWEAGH-UHFFFAOYSA-N 318.742 1.276 0 40 DDAB S=C(NCCN1CCOCC1)Nc1ccc(Cl)cn1 223891111 BJIPUALTIAJFLR-UHFFFAOYSA-N 300.815 1.354 0 40 DDAB CC(C)Cc1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 48474225 MFWAXDAGQTXSHI-MRVPVSSYSA-N 318.424 1.045 0 40 DDAB COc1ccccc1N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 336870349 IYQVATUULICQIR-INIZCTEOSA-N 315.417 1.581 0 40 DDAB COc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)ncn1 85333103 QTNBKGIHRIZXIZ-LLVKDONJSA-N 308.382 1.979 0 40 DDAB CCOC(=O)C1=C(CN(C)CCc2ccccc2)NC(=O)NC1 48353884 HIOLLNAOMCGITA-UHFFFAOYSA-N 317.389 1.291 0 40 DDAB COCCN1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 81292281 ZHWSCLNWSFMQDM-INIZCTEOSA-N 311.470 1.432 0 40 DDAB CCOC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 41399078 NJLIHSCHZYZMLL-UHFFFAOYSA-N 320.389 1.929 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)Cc3cccnc3)C2)nn1 225464098 HSOBTECUVFDEBR-HNNXBMFYSA-N 312.373 1.793 0 40 DDAB CC(C)Cc1nsc(N2CCC[C@H]2c2nc(C(N)=O)no2)n1 195571418 BHPZNPZZMDHDQS-QMMMGPOBSA-N 322.394 1.560 0 40 DDAB COc1ccc2nc(CO[C@H]3CN(C(C)=O)C[C@H]3F)[nH]c2c1 96112061 GUYVZFPAFRPJQN-RISCZKNCSA-N 307.325 1.657 0 40 DDAB biogenic,in-vitro c1cnc(O[C@@H]2CO[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96072577 ZHMRKPPWRDNKIW-HOCLYGCPSA-N 305.378 1.268 0 40 DDAB CC(=O)N1CCC2(CC1)CN(CC(C)C)C[C@@]21CCNC1=O 96243915 RYZMZHQJJQCEIJ-QGZVFWFLSA-N 307.438 1.093 0 40 DDAB CN(Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN(C(N)=O)C2)O1 96160639 GIHOCKJCWAKLDO-GOEBONIOSA-N 323.393 1.040 0 40 DDAB COCC[C@H](C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 96455049 SGJKIZBWRVQMRI-QWRGUYRKSA-N 311.348 1.689 0 40 DDAB CN1CC(=O)N(CCCC(=O)N2CCc3cccc(F)c32)C1=O 331491397 JIMYYRKEZPECSG-UHFFFAOYSA-N 319.336 1.389 0 40 DDAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC(n2ccnn2)C1 245053613 PCWFYTNUDLDINC-UHFFFAOYSA-N 310.279 1.923 0 40 DDAB CO[C@H]1CN(C(=O)c2ccnn2C(C)C)CC[C@@]12CCCO2 257215076 COONYPNPDVLGGT-HOCLYGCPSA-N 307.394 1.874 0 40 DDAB Cn1cccc1C(=O)NCc1ccnc([C@@]2(C)CCCO2)n1 257261160 LFZOQFVCVHHZJO-MRXNPFEDSA-N 300.362 1.771 0 40 DDAB CCN1CCN(C[C@H](O)COCC[C@H]2C[C@H]3CC[C@H]2C3)CC1 252504445 BMYHXPQLWZZPDW-XSLAGTTESA-N 310.482 1.828 0 40 DDAB C[C@]1(O)CN(C(=O)c2c[nH]cn2)CC[C@@H]1Oc1ccccc1 257309364 UAQMUPRBFKKHHR-HOCLYGCPSA-N 301.346 1.454 0 40 DDAB O=C(c1cccnn1)N1CCC(c2ccnc3ccnn23)CC1 257241057 HWKQHQBOKHNOEZ-UHFFFAOYSA-N 308.345 1.539 0 40 DDAB COc1c(C)cc(C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)cc1C 263259121 JFYQGSFPMJNAFU-GXTWGEPZSA-N 321.373 1.922 0 40 DDAB CSC[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)cc1 281774910 ZTQWHOPWELOJRC-NSHDSACASA-N 314.432 1.302 0 40 DDAB O=C(NCCc1ccccc1)C(=O)NCC[C@H](O)c1ccoc1 90613192 LULNILHMDBLHRD-HNNXBMFYSA-N 316.357 1.178 0 40 DDAB Cc1noc(CNC(=O)c2cc(OCc3ccccc3)no2)n1 90726746 UTHLPFAIOHSJFY-UHFFFAOYSA-N 314.301 1.875 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)Cc2ccncc2)C1 585278147 QWXKSUWVFDZVBF-KRWDZBQOSA-N 319.405 1.158 0 40 DDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cc[nH]n3)C2)c1 585269194 LCWPYAWPMZEAJI-KRWDZBQOSA-N 317.389 1.360 0 40 DDAB CC(=O)NCCNC(=O)NC1CCN(C2CCC(C)CC2)CC1 95350184 NHTPDWGJHNPVQU-UHFFFAOYSA-N 324.469 1.465 0 40 DDAB FC(F)(F)c1nc(N2CC[C@@]3(CCOC3)C2)c2nc[nH]c2n1 97105418 AMOUFMYDNGPPPW-GFCCVEGCSA-N 313.283 1.989 0 40 DDAB CC(=O)N[C@H](CC(=O)/N=c1/sccn1C)c1ccccc1 101465526 NOTMWAPYYRVMGT-BVFVFODLSA-N 303.387 1.781 0 40 DDAB COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549162619 SLQGBOLMSSAIHM-UHFFFAOYSA-N 318.373 1.358 0 40 DDAB COC(=O)CN1C(=O)/C(=C/C=C/c2ccco2)N(C)C1=S 8091398 XFBOWHYJWPDHJI-PGACXJNKSA-N 306.343 1.409 0 40 DDAB CSCC[C@H](O)CNC(=O)c1ccc(C(F)(F)F)nc1 1775967181 ACNAELGODGQQAV-VIFPVBQESA-N 308.325 1.944 0 40 DDAB Cc1cc(C)nc(N2CCCN(C(=O)N3CCCC3)CC2)n1 12188628 RWSASPMCHPHOQN-UHFFFAOYSA-N 303.410 1.821 0 40 DDAB O=C(C[C@@H](C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F 5258714 TYPBMKGKJIXXFT-LBPRGKRZSA-N 314.288 1.079 0 40 DDAB CN(C)CCNC(=S)Nc1cccc(N2CCCC2=O)c1 18167973 NVCSAEMUKZINMW-UHFFFAOYSA-N 306.435 1.661 0 40 DDAB C[C@@H](c1ccccn1)N1CCN(C(=O)C2(O)CCCCC2)CC1 155827485 MCWSXCQMFFCKAG-HNNXBMFYSA-N 317.433 1.982 0 40 DDAB C[S@@](=O)(=S)OCCCCCCO[S@](C)(=O)=S 207724846 NAVDPIJABJUQDL-HOTGVXAUSA-N 306.496 1.162 0 40 DDAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C1CCC1 371247029 JMRPTSXLCBYROQ-SECBINFHSA-N 302.300 1.819 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 3480352 CDHFWKUOIPBJJX-ZDUSSCGKSA-N 303.362 1.064 0 40 DDAB Cc1nc(N2CCN(c3ncncc3C)CC2)c2ccncc2n1 1889138968 XADXHEMZSLCBRY-UHFFFAOYSA-N 321.388 1.758 0 40 DDAB CCn1cc(Br)c(C(=O)NC[C@@H]2CCCO2)n1 27971332 DZHZNLRJSUFRBR-QMMMGPOBSA-N 302.172 1.574 0 40 DDAB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)s1 32823742 HDVGQINMYXFAJK-UHFFFAOYSA-N 316.448 1.125 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccs1 10256165 BRVHRKNWQWIBSJ-LBPRGKRZSA-N 322.411 1.614 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3ccc(C)o3)CC[C@H]21 2055746200 ZFQBJQUPGDORPM-CABCVRRESA-N 322.405 1.540 0 40 DDAB O=C(NCC1CC1)c1noc2c1C[C@H](NC(=O)C1CC1)CC2 2055739020 HUXRUBXXDZXDLB-LLVKDONJSA-N 303.362 1.198 0 40 DDAB Cc1nc(NC(=O)Cn2nc(C3CC3)ccc2=O)sc1C 575621414 WSQOHGRINXTEDW-UHFFFAOYSA-N 304.375 1.833 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N1Cc2cccnc2C1 585393240 HGEGCOSSYIUHER-UHFFFAOYSA-N 302.355 1.721 0 40 DDAB O=C(C1CN(c2ncnc3cc(F)ccc23)C1)N1CCOCC1 2298050242 OADHZLCLJLOKNY-UHFFFAOYSA-N 316.336 1.064 0 40 DDAB O=C1CSCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 31176630 GKMHFTSAKYNDPU-CYBMUJFWSA-N 324.377 1.259 0 40 DDAB COc1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F 40476619 ZOFGTWPZSZSOJQ-NSHDSACASA-N 315.366 1.070 0 40 DDAB CC(C)CO[C@H](C)C(=O)NCc1ccnc(-n2cccn2)c1 40522379 PKUHJJHEYUCBSE-CYBMUJFWSA-N 302.378 1.945 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)NCCN1CCOCC1 32675799 KUZRXPYQCSCCIA-UHFFFAOYSA-N 310.369 1.432 0 40 DDAB Cc1ccccc1NC(=O)Cn1nnc(-c2ccccc2N)n1 414521 GUTVUVHFQQCQSJ-UHFFFAOYSA-N 308.345 1.869 0 40 DDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NC1CCCC1 2617094 ICJYPMHBRLTLDD-AWEZNQCLSA-N 305.330 1.428 0 40 DDAB O=C1NCCN1C1CCN(CCOc2cccc(F)c2)CC1 52217254 QYPXMBSHRYNSQN-UHFFFAOYSA-N 307.369 1.694 0 40 DDAB O=C(O)c1ccc(CNC2=NS(=O)(=O)c3ccccc32)cc1 2643563 LSYPMRSYSNDMCY-UHFFFAOYSA-N 316.338 1.624 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2occc2COc2ccccc2)C1 41128090 XMRLIOGOLSBXNC-LBPRGKRZSA-N 314.341 1.806 0 40 DDAB CN(C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1 4120319 JDGSFNUOMLDATN-RMHZUWNSSA-N 324.380 1.847 0 40 DDAB Cc1cc2nnc(SCC(=O)NC3CCCC3)n2c(C)n1 32922618 FXACUHABNBWMIC-UHFFFAOYSA-N 305.407 1.892 0 40 DDAB CN(C)CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 7065318 HLYDFELVGOTKAO-UHFFFAOYSA-N 308.451 1.627 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)NC[C@@H]1CCOC1 41366847 SQOMGTTWCMJXAO-ZDUSSCGKSA-N 315.373 1.248 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 75606868 MUTAKIOSIAOFAL-GXFFZTMASA-N 323.368 1.815 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)NCc2cccs2)c1 22322766 YTIRMGWLIUPPSQ-UHFFFAOYSA-N 306.343 1.013 0 40 DDAB C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccn(C)c(=O)c2)C1 53403982 LRHYJUVXMCXYND-CYBMUJFWSA-N 305.422 1.626 0 40 DDAB CCCn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21 61802289 RWAHIITURMGMPR-UHFFFAOYSA-N 303.362 1.072 0 40 DDAB CCCCCc1nnc(NC(=O)N2CC[C@@H](C(N)=O)C2)s1 47721648 KQOAIJXQWTVZKZ-SECBINFHSA-N 311.411 1.610 0 40 DDAB Cc1ccc(OCCNC(=O)N[C@@H](C)Cn2ccnc2)cc1 47720304 PEFSOMHCSGTSRE-AWEZNQCLSA-N 302.378 1.958 0 40 DDAB CCN(CC)S(=O)(=O)NCc1ccc(OC(F)F)cc1 23400480 LILXRTSXNWXQHX-UHFFFAOYSA-N 308.350 1.964 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCOCC2)c1 23695901 OBSBQWXDMWGAFM-LBPRGKRZSA-N 308.378 1.213 0 40 DDAB O=C(NCCNc1cnccn1)N[C@H]1CCOc2ccccc21 43165988 PUWNEIBMTJZFLU-ZDUSSCGKSA-N 313.361 1.712 0 40 DDAB CN(C[C@@H]1CCCO1)C[C@@H](O)COCc1ccc2c(c1)OCO2 106108630 SANIAZWXTGUPKP-CABCVRRESA-N 323.389 1.404 0 40 DDAB CNc1snc(C)c1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76056927 CBHQLGGDWOCACD-JQWIXIFHSA-N 324.450 1.286 0 40 DDAB CN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 25285418 GZSMUKBKXGBVEB-UHFFFAOYSA-N 319.449 1.093 0 40 DDAB CO[C@H](CNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 55971990 GXAMTFDKKCITFJ-CQSZACIVSA-N 305.378 1.281 0 40 DDAB CCc1cccc(C)c1NC(=O)NC(=O)N(C)S(C)(=O)=O 3214905 LMCSRYBMNSXCGV-UHFFFAOYSA-N 313.379 1.690 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 4099748 GFJJPJYMGSTRIF-JFILPPLUSA-N 303.289 1.192 0 40 DDAB C[C@@H](NCCn1nc2ccccn2c1=O)c1ccccc1F 26903463 PPURZQMGLZWZMW-GFCCVEGCSA-N 300.337 1.986 0 40 DDAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCN1CCOCC1 22526011 CJLYZQCDOQMSQZ-MRXNPFEDSA-N 306.406 1.601 0 40 DDAB O=C(Nc1nncs1)NC1CCN(Cc2ccncc2)CC1 44972381 MQXWYHXULIDOIA-UHFFFAOYSA-N 318.406 1.719 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)N[C@@H]1CCCCNC1=O 44967940 JPNJOQVWFTZCQN-CQSZACIVSA-N 317.389 1.826 0 40 DDAB CN(Cc1ccco1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 44971792 DKLAGMABOLQFDE-ZDUSSCGKSA-N 315.377 1.880 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 58344176 ZYVPRQXDEAOAHV-HZPDHXFCSA-N 316.401 1.895 0 40 DDAB COC[C@H](C)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 48236978 SPDOXNCWZNGACT-ZDUSSCGKSA-N 317.393 1.503 0 40 DDAB Cc1ccc(C(=O)NCC(=O)N2CCCN(C)CC2)cc1C 3310153 DEUINBBWKBLOCU-UHFFFAOYSA-N 303.406 1.197 0 40 DDAB CCNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 58918628 IKXAMPKWCFZVIL-CYBMUJFWSA-N 305.426 1.320 0 40 DDAB Cc1ccc(OCCNC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 48331820 VJWXLSBSHPEQGL-CQSZACIVSA-N 307.394 1.573 0 40 DDAB CCOC(=O)N1CCC(NC(=O)Nc2cccnc2OC)CC1 48311969 XTWJTAMJHFAMOS-UHFFFAOYSA-N 322.365 1.833 0 40 DDAB COCCN1CCCN(C(=O)Cc2ccccc2OC)CC1 48428789 DFRUYENFZVSUOI-UHFFFAOYSA-N 306.406 1.418 0 40 DDAB COC(=O)[C@](O)(CC(=O)c1ccc(OC)cc1)C(F)(F)F 4099252 ROVPZRAZJPITKN-GFCCVEGCSA-N 306.236 1.734 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)O1 17325474 CIKZUXXQZKUZAD-VXGBXAGGSA-N 311.403 1.481 0 40 DDAB O=C(CNC(=O)c1ccc(F)c(F)c1)NO[C@H]1CCCCO1 69600052 ISMUKGRZMCZLJJ-ZDUSSCGKSA-N 314.288 1.269 0 40 DDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccncc1 49543717 YHPWHOUJBUJHIK-AWEZNQCLSA-N 324.340 1.551 0 40 DDAB biogenic Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2ccncc2)n1 69624676 HMRQMBBNJQZXTI-HNNXBMFYSA-N 314.393 1.393 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 65449766 NNSRSTCJNBZARE-HZMBPMFUSA-N 324.331 1.583 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2nnc3n2CCC3)c1C 65514751 SAPAGPPIJPCRNZ-UHFFFAOYSA-N 315.377 1.344 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC[C@@H](C(F)(F)F)C2)n1 14135336 FBOQEINEQINGOS-MRVPVSSYSA-N 304.320 1.294 0 40 DDAB Nc1nccnc1C(=O)NCCc1ccc(-n2cccn2)cc1 14141691 UNMQDOPJLQPGFE-UHFFFAOYSA-N 308.345 1.217 0 40 DDAB C[C@@H](OC(=O)c1c(F)cccc1F)c1nc(N)nc(N(C)C)n1 14182933 FHEKFMPYJAZABB-SSDOTTSWSA-N 323.303 1.716 0 40 DDAB Cc1cc(O)ccc1NC(=O)CN1C(=O)c2ccccc2C1=O 4672975 WEODWYQAVDTCFM-UHFFFAOYSA-N 310.309 1.935 0 40 DDAB CCOc1ccc2nc(NC(=O)C3=NNC(=O)CC3)sc2c1 6617622 NUFXYZZCISQNKC-UHFFFAOYSA-N 318.358 1.900 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NCc1ccco1 4700435 CFYAIAKNXXQIPY-ZDUSSCGKSA-N 324.377 1.380 0 40 DDAB Cc1occc1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 66480019 QJOWACIZCBBBSR-UHFFFAOYSA-N 316.361 1.206 0 40 DDAB COc1ccccc1[C@H](NC(=O)c1cc[nH]n1)c1noc(C)n1 70983291 QUWOHTILLFJKQB-ZDUSSCGKSA-N 313.317 1.629 0 40 DDAB CC1(C)CN(CCN2CCCc3ccccc32)CCS1(=O)=O 90552215 DTSKEOHVJBXACS-UHFFFAOYSA-N 322.474 1.948 0 40 DDAB Cn1c(CNC(=O)[C@H]2COc3ccc(F)cc3C2)n[nH]c1=S 90550930 CNBFDLYPVLDDNG-SECBINFHSA-N 322.365 1.484 0 40 DDAB CC(C)C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O 71328956 PXMOFKLSGOOJRU-CYBMUJFWSA-N 317.345 1.012 0 40 DDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9418327 UXCNRTJIRCADFE-STQMWFEESA-N 324.427 1.350 0 40 DDAB Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 97020901 SLBCONORQGSVIT-BXKDBHETSA-N 306.387 1.987 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(C(N)=O)c1 9458081 GDCBOGPFAKVOOH-BMIGLBTASA-N 312.325 1.953 0 40 DDAB CNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 19868974 AZDIIZGDLSTZFP-UHFFFAOYSA-N 320.345 1.747 0 40 DDAB Cn1cc(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)cn1 96480103 MZGSVUIJFPJQFJ-UHFFFAOYSA-N 323.299 1.815 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1OCCN1CCN(C)CC1 71883023 MZQMEDZVVGZREY-CABCVRRESA-N 317.433 1.907 0 40 DDAB CCCc1ccc(S(=O)(=O)NCCc2nncn2CC)cc1 71914070 YYJJKQZGKYXWQN-UHFFFAOYSA-N 322.434 1.772 0 40 DDAB Cc1cc(C(=O)COC(=O)[C@@H](C)N2C(=O)CCC2=O)c(C)s1 84081729 QCCQSTZEEICHSM-SECBINFHSA-N 323.370 1.628 0 40 DDAB CCn1c(C)cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1C 72269497 INLWNZUWFUDSLL-IRXDYDNUSA-N 319.449 1.796 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1c(C)noc1Cl)C2 72230262 ZFQZSOBAWWTNOS-JTQLQIEISA-N 308.769 1.815 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccnc(N(C)C)c2)no1 72299001 WEOXARPMAUZKRR-LBPRGKRZSA-N 301.350 1.816 0 40 DDAB CCCn1nc2c(cc1=O)CN(c1nccc(OC)n1)CC2 72302191 ZBPZMIAUQQWRHW-UHFFFAOYSA-N 301.350 1.015 0 40 DDAB NS(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 84535613 IKVXBFQKQMDMKB-LBPRGKRZSA-N 312.416 1.487 0 40 DDAB CCOC[C@@H](O)CN1CCN(Cc2ccc(OC)cc2)CC1 95396826 YUMDNONFWOFUHD-INIZCTEOSA-N 308.422 1.210 0 40 DDAB CC[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1N1CCOCC1 84736000 UVCDTPWZJLFBOK-BXUZGUMPSA-N 311.813 1.851 0 40 DDAB CCCCN(C(=O)Nc1nncs1)[C@H]1CCS(=O)(=O)C1 95443108 OXTGRIPOMPQABK-VIFPVBQESA-N 318.424 1.359 0 40 DDAB O=c1[nH]nc(CNc2cncc(SCc3ccccc3)n2)[nH]1 95436098 OZHKDJDPTHOPOZ-UHFFFAOYSA-N 314.374 1.792 0 40 DDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)C1 20567597 NQWYSUYQAPZPBP-SNVBAGLBSA-N 318.352 1.648 0 40 DDAB CN(C)[C@@H](CNC(=O)N[C@@H](CCO)C1CC1)c1cccs1 89312238 MMWGHNMFCDVBHG-STQMWFEESA-N 311.451 1.811 0 40 DDAB Cc1nnc2n1C[C@@H](CNC[C@H](O)c1ccc(F)cc1)CC2 89740895 WZEGMBUPRXMVRR-DOMZBBRYSA-N 304.369 1.611 0 40 DDAB COc1cc([C@H]2NCCC(=O)N2)cc(Br)c1OC 408737694 NTBGCEBHTXXDBL-LBPRGKRZSA-N 315.167 1.574 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(Cc2ccco2)Cc2cncn21 306133928 MZOJDZHIJUBZLK-HNNXBMFYSA-N 300.362 1.559 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 306145053 ZWDYSAUDNIADRB-ZDUSSCGKSA-N 306.362 1.114 0 40 DDAB CC[C@@H]1CN(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)CCO1 30852121 ALLVWQYGOBFHPU-QWHCGFSZSA-N 318.373 1.438 0 40 DDAB CCOC(=O)C[C@H](SC(=S)OCN(C)C)C(=O)OCC 31623528 PHUKRVIDWRPJBR-VIFPVBQESA-N 323.436 1.425 0 40 DDAB CCn1ncc(CNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1 528081175 JSTGXQKVMNZELZ-QWHCGFSZSA-N 307.398 1.397 0 40 DDAB COC[C@H]1CCN(C(=O)N[C@H]2Cc3ccccc3NC2=O)C1 528541732 IYNNKGJOKLSSDD-FZMZJTMJSA-N 303.362 1.228 0 40 DDAB CCc1cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc(O)n1 539770383 STQSCPKEDPZICH-LBPRGKRZSA-N 314.389 1.788 0 40 DDAB COc1ccc([C@@H]2C[C@H](C)N(CCNS(C)(=O)=O)C2)cc1 76391413 KDWVEJULAWKHJC-GXTWGEPZSA-N 312.435 1.422 0 40 DDAB CNC(=O)[C@@]1(C)CN(c2nnc(C)c3ccccc23)CCO1 72355286 BDVNYOJJRSYEKI-MRXNPFEDSA-N 300.362 1.280 0 40 DDAB COc1ccc([C@@H]2[C@@H](C(=O)NC3CC3)CCC(=O)N2C)cc1 72242040 KBFMZAVTADHCDG-GOEBONIOSA-N 302.374 1.883 0 40 DDAB O=C(CCn1c(=O)oc2ccccc21)NCCc1cccnc1 32348905 DVZMGXGJLWJPKR-UHFFFAOYSA-N 311.341 1.739 0 40 DDAB Cc1cc(C(=O)N2CCOC[C@H](Oc3cccnc3)C2)n(C)n1 77265742 FPOKUNULLKDMRV-CQSZACIVSA-N 316.361 1.044 0 40 DDAB biogenic,in-vitro CC[C@@H](C)NC(=O)COc1c(OC)cc(C(=O)O)cc1OC 217730664 IFICQRXLIFMCAF-SECBINFHSA-N 311.334 1.696 0 40 DDAB Cn1cc([C@@H]2N(C(=O)c3cccc(=O)n3C)CC2(C)C)cn1 568543284 PIHOPWOPNSMNRN-AWEZNQCLSA-N 300.362 1.342 0 40 DDAB Cc1noc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C 131323424 ILBQINVHRWMMKW-UHFFFAOYSA-N 321.358 1.378 0 40 DDAB Cc1ccc(C)c(OCC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 132316953 WOZISEGIPLCWIK-KBPBESRZSA-N 304.390 1.843 0 40 DDAB C[C@H](CCS(C)(=O)=O)Nc1cc(N2CCCCC2)ncn1 132198503 UDXJSTOLYLJYTJ-GFCCVEGCSA-N 312.439 1.702 0 40 DDAB Cc1n[nH]c(C)c1CCOC(=O)c1cccc2c1oc(=O)n2C 89246453 LYTSJJNDPZJWBN-UHFFFAOYSA-N 315.329 1.871 0 40 DDAB c1csc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1 96188609 GGSSJUNGJNXWII-ZDUSSCGKSA-N 314.418 1.868 0 40 DDAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 96076244 WPTSUELBQZMRJY-RDJZCZTQSA-N 310.438 1.515 0 40 DDAB CCN1CCC2(CC1)C(=O)Nc1ccc(C(=O)N(C)C)cc12 96078969 WVXSHLDUSZIEDN-UHFFFAOYSA-N 301.390 1.694 0 40 DDAB CN(C)c1noc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)n1 330031969 GSAGFFNJADUORD-CQSZACIVSA-N 320.368 1.973 0 40 DDAB Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3CC2CCOCC2)cn1 96055754 ZSWYPBZOXNAOGM-LSDHHAIUSA-N 304.394 1.026 0 40 DDAB Cc1ccc(OC2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1 96119387 PKMQNJZKJMWEJX-UHFFFAOYSA-N 314.345 1.157 0 40 DDAB Cn1cc(CN2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cn1 96244717 GIOZZMXVZRTOGG-MRXNPFEDSA-N 310.401 1.873 0 40 DDAB CCS(=O)(=O)CCN(C)C(=O)NCc1cccc(Cl)c1 95442667 YUHUCFLREFFPHY-UHFFFAOYSA-N 318.826 1.916 0 40 DDAB Cn1cncc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257201482 AHVZKIOFOOKRIW-LBPRGKRZSA-N 320.418 1.621 0 40 DDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3ccsc3)C2)[nH]1 257269370 MPRJZFTXQNDPPR-LLVKDONJSA-N 318.402 1.737 0 40 DDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(C)=O)ccnc12 257342328 ZODYIAIIRPOBAD-LBPRGKRZSA-N 301.350 1.162 0 40 DDAB CCCc1nnc(NC(=O)NC[C@H](C)N2CCOCC2)s1 43556136 UPSIJAKDDATUSB-JTQLQIEISA-N 313.427 1.333 0 40 DDAB COC(=O)C(C)(C)CNC(=O)Nc1cc(C(=O)N(C)C)ccn1 252496985 PXBSTPXBXVFTAW-UHFFFAOYSA-N 322.365 1.104 0 40 DDAB COC1(CNC(=O)C(F)(F)C2(O)CCCC2)CCOCC1 252491309 LLUFZMVBHBJFAW-UHFFFAOYSA-N 307.337 1.239 0 40 DDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2cnccn2)c1C 257282234 OSZAIPJSUKQVAS-CYBMUJFWSA-N 321.406 1.527 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)Cc2ccsc2)n1 257277039 NWFRFQBVQOSGTO-CYBMUJFWSA-N 319.386 1.695 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cnco3)C[C@@H]21 257272091 NBAHJJSUTPXREA-FRRDWIJNSA-N 313.361 1.452 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257254131 KBTAFWTUBQBKPJ-HNNXBMFYSA-N 318.421 1.143 0 40 DDAB CO[C@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@@]12CCCO2 257232450 GKWXVCNNYQHYKJ-YOEHRIQHSA-N 319.357 1.478 0 40 DDAB O=C(C1CC(F)C1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406555 ZAWLDZVHALFTPF-RUXDESIVSA-N 320.364 1.969 0 40 DDAB CCN(Cc1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O 575422344 UYLBGEGUGJOUOD-OLZOCXBDSA-N 303.811 1.320 0 40 DDAB CO[C@@H]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CC(N)=O 585275475 BMPVTJJNDXTYBW-NVXWUHKLSA-N 313.401 1.947 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cc3cnc[nH]3)C2)c1 585275867 FZFAENGLQUVUIG-QGZVFWFLSA-N 315.373 1.303 0 40 DDAB O=C(CC1CCOCC1)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093175 HGOSMFNRBWYADJ-AWEZNQCLSA-N 316.348 1.177 0 40 DDAB Cc1cccc(N2CCN(CC(=O)NCC(F)(F)F)CC2)c1 57355263 MPDQMEKNTFEVCC-UHFFFAOYSA-N 315.339 1.796 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)Cc3ccccn3)C2)no1 72267431 SSWZIFWWAGSHRW-HNNXBMFYSA-N 301.394 1.869 0 40 DDAB Cc1sc(Br)cc1S(=O)(=O)NCCCN 87308021 MIOUQEPBPXJLSG-UHFFFAOYSA-N 313.242 1.446 0 40 DDAB C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](/C=C/c3ccccc3)[C@@H]21 4025979 TYOLRTYWMXRCLK-FBSWTLNSSA-N 314.389 1.709 0 40 DDAB biogenic C/C=C/C(C)=C/[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 5179177 ATUBIBZJAGAIBW-UZWGJDQWSA-N 307.390 1.908 0 40 DDAB in-vitro COC1CN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)C1 1772595995 XQLKQNLZVBBPDG-YCPHGPKFSA-N 302.374 1.155 0 40 DDAB CC[C@@H]1CN(C(=O)CC(C)C)[C@H](CO)[C@@H]1CN1CCOCC1 1772595128 ZWWZRSIAQSLOOP-BZUAXINKSA-N 312.454 1.210 0 40 DDAB CN(C)CCCNS(=O)(=O)c1ccc(Br)cc1 5508989 AEOZKBHESMQZCO-UHFFFAOYSA-N 321.240 1.679 0 40 DDAB CCn1c(=O)n(CC(=O)N2CCc3ccccc32)c2cccnc21 12117574 UVMMXSPIQRLTEA-UHFFFAOYSA-N 322.368 1.807 0 40 DDAB CCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C)CC1 19501936 OKUUOSKFKPRRQO-MRXNPFEDSA-N 314.437 1.810 0 40 DDAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(C)=O)C[C@@H]12 19528264 KVXWOXYRXSGEKS-PBHICJAKSA-N 300.358 1.582 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619620 FQOJPAYLDFVNPE-CRWXNKLISA-N 303.314 1.596 0 40 DDAB Cc1noc(C)c1CC(=O)N1CC[C@@H](Oc2cccnn2)C1 225413977 WBFAFLZQXDXOGM-GFCCVEGCSA-N 302.334 1.304 0 40 DDAB O=C(NC[C@](O)(c1ccccc1)C1CC1)NC1CCOCC1 225556145 WOIVZXOVXAWNGQ-KRWDZBQOSA-N 304.390 1.762 0 40 DDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C1CC1 5339361 RNTNRCJGFGMARU-UHFFFAOYSA-N 310.375 1.584 0 40 DDAB O=c1[nH]n([C@@H]2C=C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]32)c(=O)n1-c1ccccc1 245239136 FQVQAXRHYGQZAT-BHQQPIICSA-N 307.353 1.877 0 40 DDAB COc1cccnc1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 556358512 DFRCNZUGDPUKNQ-JTQLQIEISA-N 310.375 1.244 0 40 DDAB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 252518061 YPMCPCGCEKYSIB-SHTZXODSSA-N 319.405 1.641 0 40 DDAB O=C(C1CC1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147080 DBRDRBAZKMBMBC-JTQLQIEISA-N 312.167 1.629 0 40 DDAB c1cnn(-c2cc(N3CCN(Cc4ccncc4)CC3)ncn2)c1 1889139866 RASIPVSAMKTKFL-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB O=C1COc2ccccc2CCCCOC2(CCNCC2)CN1 2037981127 WEBARJHDYCKNDO-UHFFFAOYSA-N 318.417 1.657 0 40 DDAB CCn1nccc1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CCC1 2056225379 PEXRLUPXOBAZPT-BZNIZROVSA-N 302.378 1.176 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1 11739557 UAKXMVAFMHBFHV-UHFFFAOYSA-N 315.329 1.398 0 40 DDAB CC(C)CC(=O)N[C@H]1CCc2onc(C(=O)NC(C)C)c2C1 2055738657 HOMCITBZMQXJOJ-NSHDSACASA-N 307.394 1.832 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(F)cc1Cl 217602833 ATXDMTPVBOLZPZ-SKDRFNHKSA-N 315.728 1.882 0 40 DDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)Nc2cccnc2)c(C)o1 85561929 XLUXUAMOLVKZLQ-AWEZNQCLSA-N 317.345 1.470 0 40 DDAB Cc1ccccc1OCCn1c(=N)n(CC(N)=O)c2ccccc21 20080621 DJORYJCTVLOKNL-UHFFFAOYSA-N 324.384 1.795 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1F 30334996 WPDGAFUXGGGUIE-UWVGGRQHSA-N 303.355 1.632 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)NCCNc1cnccn1 30881880 AOCLWIPNMMZDJO-ZDUSSCGKSA-N 300.362 1.610 0 40 DDAB COC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2C)nc1C 40460873 JFSBJALIYJVAKY-LBPRGKRZSA-N 302.378 1.957 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC1=NS(=O)(=O)c2ccccc21 31662166 VFHUDZTUODJEBF-GFCCVEGCSA-N 316.386 1.536 0 40 DDAB O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1C[C@H](O)CN1 20434503 AGHHTEDMEYRPGQ-JQWIXIFHSA-N 303.189 1.375 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 40526581 AGRCQOYUCDEUSR-UHFFFAOYSA-N 305.359 1.807 0 40 DDAB COc1cc2ncn(CC(=O)NCC(C)C)c(=O)c2cc1OC 20722078 FJZREBLDFZHBRT-UHFFFAOYSA-N 319.361 1.186 0 40 DDAB CCCCNC(=O)CN1CCN(CCOc2ccccc2)CC1 46168028 GHPHNEPOSGVJBH-UHFFFAOYSA-N 319.449 1.599 0 40 DDAB CC(C)CN1CCO[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)C1 29872012 ZLYQZQRQIKTSEV-CYBMUJFWSA-N 317.389 1.047 0 40 DDAB Cc1cn(CC(=O)N2CCN(CCO)CC2)c2ccccc12 75604860 XWCSZIXHSKQCMS-UHFFFAOYSA-N 301.390 1.086 0 40 DDAB COc1ccc(CCn2ccc(C(=O)O)cc2=O)cc1OC 1669107 VURSSEXQFMHSKJ-UHFFFAOYSA-N 303.314 1.806 0 40 DDAB O=C(NCCCN1CCCC1=O)Nc1ccc2c(c1)OCO2 32843691 OYYGBSPACQREFT-UHFFFAOYSA-N 305.334 1.549 0 40 DDAB NS(=O)(=O)CCCNC(=O)CCc1cc(Cl)cs1 76018094 WASWXFVMTZFUDO-UHFFFAOYSA-N 310.828 1.129 0 40 DDAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC)C1=O 32957499 LYMFVHYZBGCQIU-QGZVFWFLSA-N 317.389 1.760 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 102768906 APPHYBZRXBQTBJ-VHSXEESVSA-N 304.343 1.618 0 40 DDAB COC(=O)c1cn(Cc2ccccc2)cc(C(=O)OC)c1=O 8730407 DEGIWXSVZFZDNL-UHFFFAOYSA-N 301.298 1.470 0 40 DDAB O=c1cc(CSc2nnc(-c3ccco3)o2)nc(CO)[nH]1 57355764 WWEJWPWPHQVPSQ-UHFFFAOYSA-N 306.303 1.198 0 40 DDAB CCN1C(=O)C[C@H](Nc2ccc(N3CCCC3=O)cc2)C1=O 103022384 VROUZJLTTMDBDV-ZDUSSCGKSA-N 301.346 1.373 0 40 DDAB COCCN(Cc1ccccc1)C(=O)C1=NN(C)C(=O)CC1 53174874 ABFLEKXOTOKCSL-UHFFFAOYSA-N 303.362 1.270 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 53139540 FVWFCWQFEIBPTD-AWEZNQCLSA-N 313.394 1.794 0 40 DDAB COc1cc(N2C(=O)[C@@H]3CCCN3C2=S)cc(OC)c1OC 33435909 GKECDAZHDAAZJJ-JTQLQIEISA-N 322.386 1.808 0 40 DDAB CCC(CC)NC(=O)COC(=O)c1sccc1-n1cnnn1 58938766 BKOBQGBQPHGJHG-UHFFFAOYSA-N 323.378 1.185 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H]1CCNC1 104347471 DQQYBAUWYNFLQV-LLVKDONJSA-N 302.827 1.926 0 40 DDAB CC(C)c1ccc(CN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cc1 71913907 LKNBALHZOVOZGJ-UHFFFAOYSA-N 317.389 1.838 0 40 DDAB CN(C[C@H]1CCCO1)C(=O)c1nn(-c2ccccc2F)cc1O 104885744 ZCHKRYHAMLKTFN-LLVKDONJSA-N 319.336 1.968 0 40 DDAB CCn1nc(C)c2c1cnn2CCNC(=O)c1cc(C)n(C)n1 57279257 AAMFYPBUABLXAL-UHFFFAOYSA-N 315.381 1.033 0 40 DDAB O=C(c1ccsc1)N1CCN(Cc2nnc(C3CC3)o2)CC1 71824763 JFRZBTJKXGFVQK-UHFFFAOYSA-N 318.402 1.967 0 40 DDAB Cc1noc([C@H]2CCCN(CC(=O)N3CCCCCC3)C2)n1 54677721 QRAPXWQWDRTRRY-AWEZNQCLSA-N 306.410 1.960 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)NC2(CC(=O)O)CCC2)c1 94291217 GWPRZADOZZYLCW-UHFFFAOYSA-N 301.339 1.810 0 40 DDAB COCCOCC(=O)N1CCN(c2cccc(Cl)c2)CC1 47220591 PYPFKMHJJWOJBD-UHFFFAOYSA-N 312.797 1.652 0 40 DDAB CC(=O)N1CCN(c2c(Cl)cccc2-n2cnnc2)CC1 57327948 QWJXQEJHDXIYDF-UHFFFAOYSA-N 305.769 1.589 0 40 DDAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)Cn2ccnn2)CC1 96492211 VJUZQMNMTFICBH-CYBMUJFWSA-N 317.368 1.323 0 40 DDAB CC[C@H]1CN(c2ncnc3sccc23)CCN1C[C@H](C)O 106840011 YMTBFYTVMHPFSL-RYUDHWBXSA-N 306.435 1.973 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)NCCc1ccccc1 106911367 QMVMWMKEYMLSMM-CABCVRRESA-N 305.422 1.638 0 40 DDAB CCN1CCN(C(=S)NC(=O)/C=C/c2cccs2)CC1 56701324 YJOLJAAUJCLMME-AATRIKPKSA-N 309.460 1.800 0 40 DDAB CC(C)OCCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69952176 HMKSZBQJGBYQMW-QGZVFWFLSA-N 320.433 1.679 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 63528487 XLCMDCWNWKDFDR-OKILXGFUSA-N 312.410 1.539 0 40 DDAB CC(C)CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 27064569 OBJFHXFNCPRQCV-UHFFFAOYSA-N 323.418 1.353 0 40 DDAB CN(CCc1ccncc1)C(=O)Nc1ccc(-n2cncn2)nc1 58014197 JADMRXLGODCRHZ-UHFFFAOYSA-N 323.360 1.764 0 40 DDAB COc1ccccc1C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1 3279458 IANKJTFKWGVVPM-RYUDHWBXSA-N 307.346 1.488 0 40 DDAB O=C(CCn1cncn1)N1CCN(c2ccccc2Cl)CC1 12615936 PELNLBNOKHIZMU-UHFFFAOYSA-N 319.796 1.670 0 40 DDAB CN(C)Cc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 72294964 OXUREVXHGQTXBK-MRXNPFEDSA-N 313.405 1.817 0 40 DDAB CCc1c(O)nc(SCC(=O)Nc2ccccc2)[nH]c1=O 12628923 NTOXOVVZQPMEFI-UHFFFAOYSA-N 305.359 1.769 0 40 DDAB CNC(=O)CCNC(=O)c1cnn(Cc2ccccc2Cl)c1 58406819 OXBKCUGDCFXTBT-UHFFFAOYSA-N 320.780 1.451 0 40 DDAB O=C(NCc1cnn(-c2ccccc2)c1)NC[C@H]1CCOC1 48265233 GCPXBTKVXVHIGM-CYBMUJFWSA-N 300.362 1.708 0 40 DDAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)NC[C@@H]1CCOC1 76047473 CKVMXQLHJWMLGM-AAEUAGOBSA-N 320.393 1.237 0 40 DDAB CCOCCCC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 92525055 IIVFQDYCWKPUEX-UHFFFAOYSA-N 304.350 1.326 0 40 DDAB CN(c1ccccc1)c1nc(N2CCOCC2)c2cnn(C)c2n1 4272794 KVBQBZIXBAJSGC-UHFFFAOYSA-N 324.388 1.968 0 40 DDAB CCC(=O)N1CC[C@H](N[C@H](C(N)=O)c2ccccc2)[C@H](C)C1 76056299 JPSYHRJDANVJGC-INWMFGNUSA-N 303.406 1.450 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 65403835 DNIVHYSBUIIBIK-CYBMUJFWSA-N 321.396 1.555 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(Cl)cn2)C1 77957506 GDNFKTWEICUIFK-CYBMUJFWSA-N 314.817 1.010 0 40 DDAB COc1ccc(NC(=O)C[C@@H](CN2CCCC2)C(=O)O)cc1 71279956 GVQMQTFDMJOTSB-LBPRGKRZSA-N 306.362 1.820 0 40 DDAB COc1cccc(CNC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1OC 71280057 CWNZWRKGAGVUNU-VXGBXAGGSA-N 307.346 1.677 0 40 DDAB O=C(NCCN1CCCS1(=O)=O)c1cccc2ccccc12 71846704 CYMQFBFBZXKBEH-UHFFFAOYSA-N 318.398 1.605 0 40 DDAB C[C@@H](CO)CNS(=O)(=O)c1cc(Cl)sc1Cl 83220174 MIYIDGHAODBHOS-RXMQYKEDSA-N 304.220 1.962 0 40 DDAB O=c1c2ccccc2nnn1CSc1nnc(C2CC2)o1 7288475 LTJXPQABWHGYLS-UHFFFAOYSA-N 301.331 1.802 0 40 DDAB CC(C)(C)c1nnnn1CC(=O)c1ccc2c(c1)NC(=O)CO2 68183868 IOIUXCXXBDGQJG-UHFFFAOYSA-N 315.333 1.184 0 40 DDAB O=C(CCNCC(F)(F)F)N1CCC[C@H](n2cccn2)C1 71856830 PXDFSNQRHDLVSO-NSHDSACASA-N 304.316 1.589 0 40 DDAB COCCNC(=O)CNC(=O)c1sc2cccc(F)c2c1C 9498712 NNHQTBITQIWJHA-UHFFFAOYSA-N 324.377 1.841 0 40 DDAB O=C(CCc1ccccc1)NS(=O)(=O)C[C@@H]1CCCCO1 69593151 KGAHYSRXRWDJOU-AWEZNQCLSA-N 311.403 1.634 0 40 DDAB CN(CCOCC1CC1)C(=O)NCc1nnc2n1CCCCC2 87033324 SQLDOFVHGIHPDC-UHFFFAOYSA-N 321.425 1.573 0 40 DDAB Cc1cc(CNC(=O)c2cscn2)ccc1S(C)(=O)=O 84093818 NPAHRIPNIMZZCP-UHFFFAOYSA-N 310.400 1.785 0 40 DDAB CC(C)c1nc([C@H]2CCCN2C(=O)CCn2cncn2)no1 72299406 TYZHRRWBOLVRRE-LLVKDONJSA-N 304.354 1.538 0 40 DDAB O=C(Nc1nnn[nH]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 72291701 KRWUSNNFDIADHJ-UHFFFAOYSA-N 323.238 1.657 0 40 DDAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1F 78788684 RPJYSQBWRSQXIF-JKSUJKDBSA-N 306.381 1.805 0 40 DDAB CNC(=O)c1cccc(NC[C@@H]2CN(CC(C)C)CCO2)n1 84544281 CBUZOJYEUKSZJR-CYBMUJFWSA-N 306.410 1.210 0 40 DDAB CCO[C@H](C)c1noc(Cn2cnc3ccccc3c2=O)n1 78825140 OGOGILBKIGBGGA-SNVBAGLBSA-N 300.318 1.925 0 40 DDAB CN1CC[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@@H]2C1 95466166 YPZUEGDYKGHXRO-LSDHHAIUSA-N 316.401 1.553 0 40 DDAB COc1ccc(OC)c([C@@H]2C[C@@H](C)Nc3nc(CO)nn32)c1 95477201 YPFOOHSJLMIJFY-SKDRFNHKSA-N 304.350 1.581 0 40 DDAB C[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCSCC1 95435579 PRSORINBONCPGT-ZIAGYGMSSA-N 320.462 1.214 0 40 DDAB Cn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)n[nH]c1=O 95412782 VYVIXQXUNLSZGG-UHFFFAOYSA-N 322.781 1.635 0 40 DDAB O=C(C1CCC(F)(F)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 95976084 YVHXXXSWRFQKRB-GFCCVEGCSA-N 321.389 1.990 0 40 DDAB Cc1ccc(OCCC(=O)NCc2nccc(N)n2)cc1C 95993379 WRPVNQWZJUGKSB-UHFFFAOYSA-N 300.362 1.761 0 40 DDAB Cc1noc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 85843341 HFBHZCSTFVTWOA-SNVBAGLBSA-N 309.391 1.975 0 40 DDAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)C[C@@H]1CCCO1 75111301 UVFPQADKZWAETM-YPMHNXCESA-N 322.390 1.317 0 40 DDAB Cn1cc(C(N)=O)c(NC(=O)c2ccc(Br)cc2)n1 89749816 AVFHDFVZAIOWSQ-UHFFFAOYSA-N 323.150 1.534 0 40 DDAB CC[C@](C)(NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)O 89941976 VIOLRPDNILRAAB-CJNGLKHVSA-N 306.362 1.623 0 40 DDAB CN1CCC(CCNS(=O)(=O)Cc2ccccc2F)CC1 173088462 BLQQNJJNAMVOAA-UHFFFAOYSA-N 314.426 1.977 0 40 DDAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CO 32220816 KYEDJPGTEYVVLG-UCUFBTAOSA-N 305.333 1.828 0 40 DDAB O=C1CN(c2ncnc3[nH]cnc23)CCN1C1CCCCC1 32578221 XIYJLWGLMNCOCZ-UHFFFAOYSA-N 300.366 1.334 0 40 DDAB CN(C)C(=O)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1 306124605 BUDCGUFDFOJZDI-HNNXBMFYSA-N 305.426 1.797 0 40 DDAB CCCNC(=O)COc1c(C(=O)OC)cncc1C(F)(F)F 521396183 XNFWSMFVFARJOX-UHFFFAOYSA-N 320.267 1.792 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218487213 ONIIGKKBVHFCNV-AGIUHOORSA-N 303.811 1.584 0 40 DDAB Cn1cc(CN2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cn1 77266916 HDIDVFXFYIGQCA-MRXNPFEDSA-N 317.437 1.675 0 40 DDAB biogenic,in-vitro FC(F)(F)Oc1ccc(C2=NOC3(CCNCC3)N2)cc1 72265066 WCZFTOARQNBOBE-UHFFFAOYSA-N 301.268 1.946 0 40 DDAB COc1cc2ncn(CCC(=O)NC3CC3)c(=O)c2cc1OC 32074623 KXLLVGRTOYIMRT-UHFFFAOYSA-N 317.345 1.082 0 40 DDAB COCCc1nnc(SCc2nc3ccc(O)cc3o2)n1N 521394054 MPEPOYOOYJGQJN-UHFFFAOYSA-N 321.362 1.320 0 40 DDAB CNc1cc(I)ccc1C(=O)N(C)OC 521394784 AELABTGJPVHRIZ-UHFFFAOYSA-N 320.130 1.966 0 40 DDAB O=C(OC[C@H]1CCCO1)[C@@H]1CSCN1C(=O)c1ccccc1 78411187 SRPSTDSNXYYYHY-KGLIPLIRSA-N 321.398 1.924 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3cnccn3)C2)nn1 72387355 QXXAZZUUZHDUFP-LBPRGKRZSA-N 312.377 1.403 0 40 DDAB CC(C)OC(=O)N1CCC(OC(=O)c2ccn(C)c(=O)c2)CC1 79037191 UHJYOWGESCHWIG-UHFFFAOYSA-N 322.361 1.552 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 75170370 RZJMQYUSGOPQJG-CYBMUJFWSA-N 300.424 1.131 0 40 DDAB NC(=O)NC1CCN(C(=O)c2ccnc(OC3CCC3)c2)CC1 89573470 YQGBSDVLZQPOJW-UHFFFAOYSA-N 318.377 1.286 0 40 DDAB COC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1CC(C)C 48311648 YIZQMSZGYSVWAI-VIFPVBQESA-N 314.411 1.006 0 40 DDAB CNC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 41262337 WKGAAXKECHGKJM-UHFFFAOYSA-N 306.362 1.302 0 40 DDAB CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCCNCC1 45796214 JWYNVRLWZAEMPP-UHFFFAOYSA-N 319.430 1.763 0 40 DDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC([C@@H](C)O)CC2)c1 195566737 NQUYRJKRPUFZHD-CQSZACIVSA-N 318.417 1.653 0 40 DDAB COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 85876784 WQJHTWMREUGZRO-GFCCVEGCSA-N 313.309 1.911 0 40 DDAB biogenic CC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2ccoc2)cc1 90613105 SSSQCPHCMYYXNJ-OAHLLOKOSA-N 323.370 1.884 0 40 DDAB CC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 96146924 YKGFSOWFZWUEGO-UHFFFAOYSA-N 316.386 1.738 0 40 DDAB CCOCC(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202280 RZUQPWKECRJEOR-QGZVFWFLSA-N 319.405 1.173 0 40 DDAB CO[C@H](C)c1noc(CN2CCCN(c3ncccn3)CC2)n1 96447988 XQTNLWOMJAYBCZ-GFCCVEGCSA-N 318.381 1.279 0 40 DDAB O=C(C1CC=CC1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247872851 MJAINXMSAHSKPV-CQSZACIVSA-N 315.373 1.582 0 40 DDAB CCOCCCN1CC[C@H](NC(=O)[C@H](C)n2cccn2)[C@@H](C)C1 245287256 BRKLRYQWJKYTMW-JYJNAYRXSA-N 322.453 1.697 0 40 DDAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2C 257339568 ZCIAQRLLZSZHNN-BRWVUGGUSA-N 318.417 1.588 0 40 DDAB O=C(COc1ccccc1F)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257322882 WHUQFIUMZDJVKY-CKEIUWERSA-N 322.380 1.308 0 40 DDAB Cc1nc(O)cc([C@H]2CN(Cc3ncccc3F)CCO2)n1 257251693 JRURXHJFLLRXEY-CQSZACIVSA-N 304.325 1.598 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)CC1 257344303 ZWNKNIVSQARSSR-HNNXBMFYSA-N 318.421 1.683 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)c1cn(C)nc1C 257333769 YCYNPUUDNVNUTL-OAHLLOKOSA-N 314.389 1.524 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c(O)n1 257207783 BJFLYAQNXGIYOX-LBPRGKRZSA-N 300.362 1.914 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@H](c3nc(C)cn3C)C2)n1 257213241 CGSXZWLGRNRZCM-LBPRGKRZSA-N 317.393 1.623 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cccc(O)n3)C2)n1 257221323 DOLYVDXRLZVDFO-GFCCVEGCSA-N 300.362 1.849 0 40 DDAB COCCC(=O)N1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 257298791 RNHGMOYSDWFGGQ-OAHLLOKOSA-N 305.378 1.418 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)cn1 257294314 QTNLSECRWJPYJA-LBPRGKRZSA-N 312.377 1.252 0 40 DDAB NC(=O)C(OC(=O)Nc1ccccc1)(C(N)=O)c1ccccc1 255189645 RGAJFZBYYHLGNQ-UHFFFAOYSA-N 313.313 1.101 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)Nc2cnc3ccccc3c2)C1 257272114 NBCVCZAURRLBEK-KRWDZBQOSA-N 313.357 1.811 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@@H](O)c1ccoc1 90613210 QLSLUKSJXPYYEV-OAHLLOKOSA-N 320.389 1.826 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H]2C(C)(C)O)cc1OCCO 390833689 LMJYMEXDKZLFET-HNNXBMFYSA-N 323.389 1.442 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cn1)C2 585108588 WTDRCPNKHFOITL-NVXWUHKLSA-N 322.380 1.807 0 40 DDAB O=C1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CCN1 54974332 NNSAOXKAMXKFDA-AWEZNQCLSA-N 307.781 1.933 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)O)C3)nn2)n1 70688669 MVCWKVOKZBTMEL-LBPRGKRZSA-N 301.350 1.580 0 40 DDAB NC(=O)CN1CCC[C@H]1c1csc(Nc2ccccn2)n1 72384657 YIHUOSLKHKVGJY-NSHDSACASA-N 303.391 1.904 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2nc3ccccc3s2)CC1 85436816 XJDYWJDFNQZGTN-LLVKDONJSA-N 305.403 1.435 0 40 DDAB CCOC(=O)[C@@H](CCC(=O)O)NC(=O)OCc1ccccc1 5830765 JNQYYJMIBOQAFC-GFCCVEGCSA-N 309.318 1.709 0 40 DDAB O=C1CC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1 19335105 MWPNFVOWRJIMLC-UHFFFAOYSA-N 312.366 1.117 0 40 DDAB O=C(c1ccccn1)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19400243 NOCSOQPSPBFVIA-HNNXBMFYSA-N 323.400 1.885 0 40 DDAB O=C1NC=CC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 19335115 KNUFVLIJZCIDQH-OAHLLOKOSA-N 324.377 1.630 0 40 DDAB O=C(O)c1ccc(OS(=O)(=O)c2cccc(C(=O)O)c2)cc1 28580298 DTXNZDVCWLKPBV-UHFFFAOYSA-N 322.294 1.851 0 40 DDAB CC(C)c1nnc(N2CCO[C@H](C(=O)N3CCCC3)C2)s1 1889101403 REAQTVCWVVGFTG-NSHDSACASA-N 310.423 1.489 0 40 DDAB c1cnn(-c2cc(N3CCN(c4nccs4)CC3)ncn2)c1 1889138811 MLGIRVWHRZRYHV-UHFFFAOYSA-N 313.390 1.445 0 40 DDAB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCO1 27883710 UHGBWQJZNUIKCN-IUODEOHRSA-N 315.373 1.470 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)c3ccccc3Cl)C[C@@H]21 2037985733 UMLBNYGZKAECGP-FZMZJTMJSA-N 322.792 1.659 0 40 DDAB CC(C)CN1C[C@]2(COCCN(Cc3ccncc3)C2)CC1=O 1614938784 HBVGSVXNOGXHIC-SFHVURJKSA-N 317.433 1.789 0 40 DDAB Cc1cnc(N2CC[C@@H](COc3ccc4nccn4n3)C2)nc1 2087022418 IFKOTLGUIWVOSU-CYBMUJFWSA-N 310.361 1.733 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(-c2ccccc2)c1C1CC1 30547727 LMLXVLDSKCJDOI-UHFFFAOYSA-N 312.373 1.616 0 40 DDAB CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2cccs2)CCO1 30851749 RTLIVPSWESLDQJ-CHWSQXEVSA-N 310.419 1.953 0 40 DDAB CC[C@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)CCO1 30851801 LCEHBBATQIGJCM-ZDUSSCGKSA-N 317.389 1.368 0 40 DDAB CC(C)NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40309042 IMSRIUUYICYWQW-UHFFFAOYSA-N 314.345 1.114 0 40 DDAB biogenic Cc1cccc2c(=O)n(CCC(=O)NCC(F)(F)F)cnc12 40476722 AWHIRFPBPSYEMI-UHFFFAOYSA-N 313.279 1.774 0 40 DDAB CCCOc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40467458 LHDXETIMAYXIOE-ZDUSSCGKSA-N 311.403 1.735 0 40 DDAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)cnn1-c1ccccc1 40521788 HUQOOJNBQFJCMC-HNNXBMFYSA-N 312.373 1.579 0 40 DDAB CC1=NN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)CC1 40543562 MRTZFCHKTHEIFL-UHFFFAOYSA-N 314.389 1.610 0 40 DDAB COc1c(F)cc2c(=O)c(C(=O)O)cn(CCF)c2c1F 20731658 CCIYHFIKGWYGLS-UHFFFAOYSA-N 301.220 1.956 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nncs2)C1=O 21215328 SWQDYBWOXWUMFT-VIFPVBQESA-N 318.358 1.681 0 40 DDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1 416456 YADFLHQQKWJCFB-UHFFFAOYSA-N 303.341 1.928 0 40 DDAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)OC 2615849 JCLFVLNCLJPZLF-VIFPVBQESA-N 308.363 1.715 0 40 DDAB Cc1nsc(N2CCCN(CC(=O)N(C)CC3CC3)CC2)n1 75967821 KTHNYPYVKCWOSF-UHFFFAOYSA-N 323.466 1.227 0 40 DDAB CCOC(=O)c1cc2sccc2n1CC(=O)N1CCOCC1 1338047 KYWOKPYUCAUKIL-UHFFFAOYSA-N 322.386 1.738 0 40 DDAB O=C(Nc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 32832695 ZPRJHAFQAUHCBY-RXMQYKEDSA-N 314.310 1.535 0 40 DDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cccn2)c1 2732432 PZXBKFSDZCVWGF-GEEKYZPCSA-N 323.352 1.598 0 40 DDAB CNC(=O)CN1CCC(NC(=O)c2cc(C)sc2C)CC1 46449123 JITSBXTVQRKCOZ-UHFFFAOYSA-N 309.435 1.305 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(C)c1 6953166 OCBSHZTUYTVKHK-HNNXBMFYSA-N 303.406 1.842 0 40 DDAB O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)O1 107207849 GHBZQXYDBVUFPL-JHJVBQTASA-N 306.341 1.021 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C2 72279063 ZMPDUAFGAVGGQT-RISCZKNCSA-N 315.421 1.777 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2 72279418 UHILIDSNXIGZRJ-XJKSGUPXSA-N 318.421 1.270 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)c1cc2ccccc2oc1=O 12234707 AXFVHHTUOQWFNT-UHFFFAOYSA-N 300.314 1.144 0 40 DDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1cccc(O)c1 12322435 JQUOUZLSYYNZFV-UHFFFAOYSA-N 313.317 1.415 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCN(c2ccccc2)CC1)C(C)C 9470609 WQEYJCAKJPPPGI-INIZCTEOSA-N 303.406 1.496 0 40 DDAB COc1cc(S(=O)(=O)NCCCN(C)C)c(OC)cc1C 54362935 BNICXEUPVHRXKY-UHFFFAOYSA-N 316.423 1.242 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CCc1ccc2c(c1)OCO2 24478936 NZNBRBZOIPYPLU-UHFFFAOYSA-N 301.346 1.740 0 40 DDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1ccco1 100128423 CZOWBHZUPRHUBM-RYUDHWBXSA-N 301.346 1.668 0 40 DDAB Nc1c(-c2ccsc2)cnc2nc(N3CCOCC3)nn12 1389294 MRAJJDGBBAYZNL-UHFFFAOYSA-N 302.363 1.272 0 40 DDAB O=C(CN1CCCCCC1=O)Nc1ccc(-n2ccnc2)nc1 24904327 FTHMMYMUDCHDHU-UHFFFAOYSA-N 313.361 1.608 0 40 DDAB Cc1ncc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)s1 107059346 VASKMOXHNWOPJF-YGRLFVJLSA-N 308.407 1.262 0 40 DDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC2CC2)C1=O 26200244 AETUPLKMOLRBCZ-KRWDZBQOSA-N 315.373 1.370 0 40 DDAB CNC(=O)CN(C)C(=O)c1cnn(-c2cccc(C)c2)c1C 44009493 YBPFONXIAHLGDW-UHFFFAOYSA-N 300.362 1.307 0 40 DDAB CCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 35325536 YGSVKAZETPVMQK-UHFFFAOYSA-N 317.433 1.749 0 40 DDAB COCCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccco1 26449819 AEAUYCZEPLQTAV-UHFFFAOYSA-N 309.366 1.058 0 40 DDAB C[C@@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)N(C)C 57340611 JBJNZADQVAXRFW-ZDUSSCGKSA-N 308.397 1.940 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCNC2)c(Cl)c1 44502737 HXDCMASLDUTYSH-NSHDSACASA-N 302.827 1.926 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 106932027 SGHHLWGUZWCROH-XYPHTWIQSA-N 316.401 1.843 0 40 DDAB C[C@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccco1 44870390 WZRZDOYEHPDUPC-NSHDSACASA-N 313.317 1.512 0 40 DDAB CNC(=O)c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1 58265737 NSLBTHPVVXFUIE-UHFFFAOYSA-N 310.353 1.580 0 40 DDAB Cc1nnc([C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)o1 58225191 HHSCOAPJWHTRDC-AAEUAGOBSA-N 308.382 1.010 0 40 DDAB COc1ccc([C@H]2CCN(Cn3nc4ccccn4c3=O)C2)cc1 58267718 HSRVLKVZBGCZFC-HNNXBMFYSA-N 324.384 1.952 0 40 DDAB COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1COc2ccccc2C1 58278660 YILJBRDJDTUSDN-ZIAGYGMSSA-N 320.389 1.877 0 40 DDAB O=C(NCc1cc[nH]n1)[C@@H]1CCCN1C(=O)Cc1ccccc1 58209864 TUJUWYIVKDHIKN-HNNXBMFYSA-N 312.373 1.260 0 40 DDAB NC(=O)[C@H]1CCN(Cc2ccc(F)cc2Br)C1 48036792 AFBJBBCMOSSTGE-VIFPVBQESA-N 301.159 1.895 0 40 DDAB O=c1nc2scc(CN3CCOCC3)n2c2ccccc12 24333928 YAVCWZODHRAMIT-UHFFFAOYSA-N 301.371 1.741 0 40 DDAB CC(C)c1noc([C@H](C)N2CCC(C(=O)NC[C@H](C)O)CC2)n1 44950978 FKVFBIWIBZMYRT-RYUDHWBXSA-N 324.425 1.463 0 40 DDAB CCCn1nc(C(=O)N[C@H]2CCN3CCCC[C@H]23)ccc1=O 44941799 RSOVRLNWHLSCLT-GXTWGEPZSA-N 304.394 1.010 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(S(C)(=O)=O)cc2)on1 58355275 VAIWAWIZNCQPBC-JTQLQIEISA-N 324.358 1.793 0 40 DDAB O[C@@H](CNC[C@@H]1CNc2ccnn2C1)COc1ccc(F)cc1 58315958 QQMSTVBAIYFMEN-OCCSQVGLSA-N 320.368 1.093 0 40 DDAB O=S(=O)(NCCN1CCc2ccccc2C1)N1CCCCC1 28043098 WXXZNBFNKMPXCN-UHFFFAOYSA-N 323.462 1.365 0 40 DDAB C[C@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)[C@H](C)CO1 45447365 JDVCPULNWPWKQS-NEPJUHHUSA-N 317.345 1.139 0 40 DDAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](C)C(N)=O)c2)n1 69978269 IZUNHYQMLKTCCK-GFCCVEGCSA-N 300.362 1.152 0 40 DDAB COCCn1cc(C(=O)NCCc2ccccc2C)ccc1=O 48299617 WYUOXDALILFUGO-UHFFFAOYSA-N 314.385 1.776 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC2CCCC2)c(OC)c1 3315527 XVLRCAZQMVWETL-UHFFFAOYSA-N 307.346 1.919 0 40 DDAB Cc1ncc2c(n1)CN(Cc1cc(=O)n3cccc(C)c3n1)CC2 69558672 LHCWZFUGTSIZGL-UHFFFAOYSA-N 321.384 1.660 0 40 DDAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC)CC2=O)cc1 45953159 WPMCNJZTEWQFJP-LBPRGKRZSA-N 305.330 1.779 0 40 DDAB COc1ccc2c(COC(=O)c3cnn(C)c3)cc(=O)oc2c1 12850401 QJWMJGPAIMFAPF-UHFFFAOYSA-N 314.297 1.892 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(C)(C)C)c1C 3437429 ITLVYMZCWBEQTC-UHFFFAOYSA-N 310.350 1.490 0 40 DDAB CC(C)CNC(=O)c1ccc(NC(=O)N2CCNC(=O)C2)cc1 69656999 GDWGVWFLTCTYFK-UHFFFAOYSA-N 318.377 1.036 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 69628541 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O=C(COc1ccccc1)NC1=NCC(=O)N1c1ccccc1 510327 BIVJBGAYLBCNQC-UHFFFAOYSA-N 309.325 1.584 0 40 DDAB O=C1C[C@@H](C(=O)NCCCn2cccn2)c2ccc(F)cc2N1 30166904 BWRNKFGXHFBNTE-CYBMUJFWSA-N 316.336 1.655 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc(Cl)c1 100056105 UPDCFPUVRJJPBA-VDUILEQBSA-N 316.744 1.792 0 40 DDAB Cn1c(CN2CCCc3cc(F)ccc32)cc(=O)n(C)c1=O 40511303 STQOJWRXZSEJHE-UHFFFAOYSA-N 303.337 1.176 0 40 DDAB CN(C)c1ccc(CCCNS(=O)(=O)c2cnn(C)c2)cc1 40528120 MIIIJIWLEPJJJB-UHFFFAOYSA-N 322.434 1.397 0 40 DDAB CC(=O)Nc1nc(C(=O)NCC2(N(C)C)CCCC2)cs1 40523103 WJQAPLKMJOZEIV-UHFFFAOYSA-N 310.423 1.706 0 40 DDAB O=C(NCCCn1cccn1)NC[C@@H](O)c1ccc(F)cc1 40542354 HYVGFYVVNMBEPP-CQSZACIVSA-N 306.341 1.445 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1Cn1cccn1 100930929 XCIBFXBPFWEKSW-PTJLRZKYSA-N 316.409 1.015 0 40 DDAB CCN(C(=O)CSc1cccc(OC)c1)[C@@H]1CC(=O)NC1=O 101099952 DNNZLHKVPBADFV-GFCCVEGCSA-N 322.386 1.051 0 40 DDAB Cn1c(C(=O)NCc2nnc3n2CCC3)cc(Cl)c1Cl 32058982 QBGIZGDHFNHFBE-UHFFFAOYSA-N 314.176 1.800 0 40 DDAB CN(C)CCCNC(=O)c1nc(-c2ccc(N(C)C)cc2)no1 20736887 AWDSVSCFPDFKIM-UHFFFAOYSA-N 317.393 1.484 0 40 DDAB COCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(OC)cc1 20746044 GLGAKYXMAPIRDC-OAHLLOKOSA-N 301.346 1.918 0 40 DDAB Cc1nc(C)c(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)s1 101404006 FLALUIOLQDAMBU-LBPRGKRZSA-N 318.402 1.611 0 40 DDAB COc1ccc2ccc(OC(=O)CN(C)S(C)(=O)=O)cc2c1 46165217 UWRBKFWTLKCPOR-UHFFFAOYSA-N 323.370 1.645 0 40 DDAB CNC(=O)CNC(=O)c1cc(-c2ccccn2)nc2ccccc12 37084881 QVBMLJDJBDSPJO-UHFFFAOYSA-N 320.352 1.773 0 40 DDAB COc1cc(NC(=O)CC(C)=O)c(C)c(S(=O)(=O)O)c1 2510666 YKAHGNWBSIANKA-UHFFFAOYSA-N 301.320 1.168 0 40 DDAB Cc1ccn2c(=O)cc(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nc2c1 102531024 WMEDLPKGSOOVGU-KBPBESRZSA-N 323.352 1.454 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)n(C)n1 71817194 JWOCOUBXCOFHBA-UHFFFAOYSA-N 304.419 1.748 0 40 DDAB Cn1ncc(NC(=O)c2cc(-c3ccccc3)on2)c1C(N)=O 2793980 ICGCZXMZNFJYOQ-UHFFFAOYSA-N 311.301 1.426 0 40 DDAB CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1NC(C)=O 10382163 DXCQPXNZINICPN-UHFFFAOYSA-N 317.349 1.723 0 40 DDAB CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 46939703 OZECPDZCUVOQFL-KRWDZBQOSA-N 317.433 1.942 0 40 DDAB C[C@@]1(NC(=O)c2ccc(-n3cccn3)cc2)CCS(=O)(=O)C1 22741100 DYFDMMNNSBWXIO-OAHLLOKOSA-N 319.386 1.179 0 40 DDAB COCCN(C)C(=O)[C@@H]1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1 104191707 WILWSIGGVYPIAV-ILXRZTDVSA-N 322.449 1.766 0 40 DDAB O=C(NCCc1ccccc1)c1cc(F)ccc1-n1cnnn1 12321746 CLVDIPKJLSPYHG-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1 9087655 BXMIPYHVTJSGSQ-NSHDSACASA-N 301.306 1.199 0 40 DDAB CC(C)NC(=O)Nc1ccccc1OCCN1CCN(C)CC1 71883793 TWFYRISXMBUSPQ-UHFFFAOYSA-N 320.437 1.843 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(Cc3cccnc3)CC2)C1 108526706 FNXPFZRNTVULTF-UHFFFAOYSA-N 309.435 1.375 0 40 DDAB CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1 55329079 YYTFQRHCAVVDEA-GFCCVEGCSA-N 305.378 1.355 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@H]3CCCC[C@H]31)C2 106667125 CMRVDZRLYKUCSZ-HUUCEWRRSA-N 317.437 1.583 0 40 DDAB CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC(N)=O)cc1OC 56161892 DZBFCSXEPWMTQE-QWRGUYRKSA-N 323.393 1.718 0 40 DDAB O=C([C@@H]1CCCO1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 107198687 XHOPMQMFEHNHNN-AGIUHOORSA-N 306.387 1.633 0 40 DDAB C[C@H](C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)n1cncn1 57173682 BCSXWEYVFSQOIX-LLVKDONJSA-N 323.397 1.355 0 40 DDAB C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccco1 8726557 DHXQCEWIFYIIDB-SNVBAGLBSA-N 316.313 1.616 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)c1cn2cccnc2n1 58173799 AKFPBAPPWBYWRR-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)N1CCCCC1 3256415 BWNOLRHJLNROTR-FNORWQNLSA-N 317.341 1.984 0 40 DDAB CC(C)[C@@H](CNC(=O)c1cnn[nH]1)N1CCc2ccccc2C1 58216898 JZCXPOPOEGRZNY-MRXNPFEDSA-N 313.405 1.617 0 40 DDAB COc1ccc([C@@H](C)NC(=O)c2ccc(O)nn2)c(OC)c1 44908981 SWCKTLQMSCGDAS-SECBINFHSA-N 303.318 1.690 0 40 DDAB CC[C@](C)(CNCc1c(C)nn(C)c1N(C)C)N1CCOCC1 58393336 OMRLBZFACXLFIY-QGZVFWFLSA-N 323.485 1.385 0 40 DDAB O=C(c1cccc2[nH]ncc12)N1CCN(c2ccncc2)CC1 45066171 HLDBBDYIIPENRS-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB C[C@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)CCO1 45323912 KYDAZPDUKRACDA-ZDUSSCGKSA-N 315.377 1.257 0 40 DDAB CCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 10955943 GOIQZFIFUKYVTE-UHFFFAOYSA-N 303.387 1.960 0 40 DDAB COCCCNC(=O)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540489 SEQRXVAGPIXKPG-AWEZNQCLSA-N 306.406 1.942 0 40 DDAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N1CCc2sccc2C1 48301330 YRRPIKYFYBTNHJ-DGCLKSJQSA-N 321.446 1.089 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1ccc(F)c(F)c1F 48375280 HPTVGITWNPEQCN-UHFFFAOYSA-N 320.296 1.194 0 40 DDAB Cc1c(C(=O)N2CCOC3(CCOCC3)C2)sc2nccn12 97032020 IHYXJWQKHBPXSA-UHFFFAOYSA-N 321.402 1.726 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)CC)c1C 3590665 UVHMGFLDGFYBOM-VIFPVBQESA-N 324.377 1.880 0 40 DDAB NC[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1 97020550 VYYCSJSEYKAVJV-OCCSQVGLSA-N 300.399 1.763 0 40 DDAB O=C(NCCCN1CCOCC1)C1(c2ccc(F)cc2)CC1 38716753 JMBVXEVKSSCTBV-UHFFFAOYSA-N 306.381 1.696 0 40 DDAB COc1cccc(CNC(=O)COC(=O)c2cnn(C)c2C)c1 39539535 KJCYMACEMJWTCI-UHFFFAOYSA-N 317.345 1.210 0 40 DDAB O=C(CN1CCCN(c2nc(C3CC3)no2)CC1)N1CCCC1 76683237 KGHWVERSLVAHIZ-UHFFFAOYSA-N 319.409 1.082 0 40 DDAB CC[C@H]1CN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CCO1 65458577 WAOMOMQFVLBTMG-ZDUSSCGKSA-N 319.340 1.117 0 40 DDAB Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 5342550 KHBQSMGUDQODEH-JTQLQIEISA-N 317.794 1.331 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cc(C)nc(N)n1 72268326 RGFGXBTWSWCZPT-CHWSQXEVSA-N 303.410 1.737 0 40 DDAB CCOC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)OC 67113356 RBBBGUPDCJKUSZ-UHFFFAOYSA-N 307.346 1.532 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)NCc2ccncc2)cc1 72277860 WYWXUTXIAHYDSQ-UHFFFAOYSA-N 312.373 1.619 0 40 DDAB CCc1noc(CCCC(=O)N2CCC[C@H](n3cncn3)C2)n1 72234933 XNGHYKCCWAZUJH-LBPRGKRZSA-N 318.381 1.410 0 40 DDAB CC[C@@H](C)NC(=O)COC(=O)CCn1c(=O)oc2ccccc21 7620913 UOPMXBPFDRWTDJ-LLVKDONJSA-N 320.345 1.443 0 40 DDAB CCCn1nc2c(cc1=O)CN(c1ncnc3c1CCC3)CC2 76064258 BVJYRVDOVODMQZ-UHFFFAOYSA-N 311.389 1.495 0 40 DDAB O=C(NCC[C@H]1CCCO1)N[C@H]1CCN(c2ccccc2)C1=O 69072696 JJUXZBUIXZVPFW-CABCVRRESA-N 317.389 1.660 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)c1cccc2c1OCO2 76632636 PMRHSUHVFBRYDI-UHFFFAOYSA-N 322.324 1.926 0 40 DDAB CCOCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8248298 POPBDSSWAWDZNJ-CYBMUJFWSA-N 320.389 1.591 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)c1 70004404 ZZHVXZIMXNKJKF-CQSZACIVSA-N 314.389 1.503 0 40 DDAB COc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cc1O 16968357 UGEYXWAHMKLYMJ-UHFFFAOYSA-N 302.286 1.819 0 40 DDAB biogenic Cn1ccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 69381350 WPCISQRVDFSAJJ-UHFFFAOYSA-N 311.345 1.537 0 40 DDAB Cn1nccc1CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 91428392 GRGARNAIKNERJA-UHFFFAOYSA-N 301.354 1.220 0 40 DDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccccc2)cc1 409054955 OSIVNDFHYFCOIS-GJZGRUSLSA-N 311.341 1.169 0 40 DDAB C[C@@H]1C[C@H](N2C(=O)N[C@]3(CCc4ccccc43)C2=O)C(=O)O1 8325104 SIHLDCYFNGFWGP-ABYOOWDOSA-N 300.314 1.084 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)c1 69486293 BBAFGRGJSNXBNH-DZGCQCFKSA-N 316.405 1.366 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)NCCNC(C)(C)C 96418541 OWGGYNLRCCSWJV-UHFFFAOYSA-N 302.369 1.942 0 40 DDAB CN(C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)C1CCC1 96499913 XGTSDKMUJAPBGB-STQMWFEESA-N 306.387 1.702 0 40 DDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCc1ccccc1 69742660 RADNCRMHJUWMLS-INIZCTEOSA-N 313.405 1.307 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2csc(NC3CC3)n2)n1 78869476 KZHXCZIWSIPGKN-UHFFFAOYSA-N 323.403 1.454 0 40 DDAB CN(C)[C@@H](CNC(=O)N1Cc2ccccc2C1)c1cnn(C)c1 95398418 DPBSNCLMAVGJSV-INIZCTEOSA-N 313.405 1.748 0 40 DDAB O=C(CSC(F)(F)F)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 95350030 LJVFCBUEZXLEAH-MRVPVSSYSA-N 317.354 1.418 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCC1=O 78996619 ACGFLIGMHXHDMF-MEDUHNTESA-N 320.437 1.861 0 40 DDAB CCN1C[C@@H](C(=O)N[C@H](c2nccc(C)n2)C2CC2)CC1=O 95450838 ZEHKLSJCTVEQIK-JSGCOSHPSA-N 302.378 1.221 0 40 DDAB COCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cccc(OC)c1 79324297 YBYZFFLJROICCA-XUSGNXJCSA-N 313.419 1.485 0 40 DDAB CN1CCOC[C@@H]1C(=O)NCC1(c2ccccc2)CCCC1 95983136 MNFAYDOTWQUENJ-MRXNPFEDSA-N 302.418 1.945 0 40 DDAB CS(=O)(=O)Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1 95939595 MQMYWEUCTBQZIY-UHFFFAOYSA-N 315.354 1.962 0 40 DDAB CN1CCC[C@H](CNC(=O)Nc2ccc(-n3cnnn3)cc2)C1 95953693 ZACNTTGIJXEJKQ-GFCCVEGCSA-N 315.381 1.126 0 40 DDAB Cc1c[nH]/c(=N/C(=O)c2cn(-c3cccc(Cl)c3F)nn2)[nH]1 95989139 HVCWNTJGUKFMFK-UHFFFAOYSA-N 320.715 1.766 0 40 DDAB CN(C)C(=O)NCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 95992108 QBSBJECMNFGOHD-WDEREUQCSA-N 311.332 1.456 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@H](C)SC[C@H](O)CO 75094285 FWGCEZXWSMOJFQ-WCBMZHEXSA-N 319.810 1.762 0 40 DDAB Clc1ccc(N2CCN(c3ccc(Cl)nn3)CC2)nn1 27662434 KMAIFLZOVSMJLY-UHFFFAOYSA-N 311.176 1.900 0 40 DDAB Cc1cc(CN2Cc3ccnn3C[C@H](CN(C)C)C2)n(C)n1 306143035 XRKKEXRSRBNISW-CQSZACIVSA-N 302.426 1.119 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)c1cccnc1S 32931386 CPSBMRSBZYKQTR-UHFFFAOYSA-N 311.370 1.881 0 40 DDAB CCOC(=O)CSc1nnc2ccc(-c3cccnc3)nn12 36662685 FZZJWZFPEBFPTB-UHFFFAOYSA-N 315.358 1.842 0 40 DDAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 72228221 VPAYLQXRQXFVFV-CVEARBPZSA-N 314.316 1.965 0 40 DDAB Cc1cc(C(F)(F)F)nc([C@H]2CCCN(C(=O)CO)C2)n1 72366619 JGAHMSILYDAQEF-VIFPVBQESA-N 303.284 1.502 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ncccn3)C2)n[nH]1 1039848285 WULINBPNRJKPGN-YPMHNXCESA-N 314.393 1.718 0 40 DDAB CN1CCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 72243004 SQCFVFKTTHABKK-UHFFFAOYSA-N 312.295 1.969 0 40 DDAB C[C@@H](NC(=O)[C@H]1CSCN1)c1cn(-c2ccccc2)nn1 122639829 OVGIRPQCLYODPN-ZWNOBZJWSA-N 303.391 1.107 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(N)C(=O)O 218573297 QFGKNOHDHKYYJJ-FOGDFJRCSA-N 303.767 1.023 0 40 DDAB CC(C)(C)OC(=O)N(C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 79409397 YYZREHXLHGCUTJ-GFCCVEGCSA-N 311.426 1.583 0 40 DDAB O=C(/N=c1\ccccn1Cc1ccccc1)c1ccc(=O)[nH]c1 32744575 FMVMJHSVTWEDNE-CAPFRKAQSA-N 305.337 1.966 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)o1 72241102 ABJHMMOMPLEHGA-HNNXBMFYSA-N 321.421 1.537 0 40 DDAB NC(=O)CN1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 72355718 GBVJQEVSGMVYOT-INIZCTEOSA-N 314.364 1.829 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1sccc1Br 215761708 DMHBQCNFXPDMBW-HTQZYQBOSA-N 305.197 1.227 0 40 DDAB Cc1cc(N2CCC(N3CCS(=O)(=O)CC3)CC2)ccn1 225602701 JKQVXLBDWCRCEO-UHFFFAOYSA-N 309.435 1.089 0 40 DDAB COCc1nn2c(c1-c1ccccc1)NC=C1C(=O)NN=CC=C12 40396505 IMZNTAKFJRRNQQ-UHFFFAOYSA-N 321.340 1.962 0 40 DDAB COCCCNC(=O)c1cc(NC(=O)c2ccco2)n(C)n1 40745731 IIEWFSDQMPTPOX-UHFFFAOYSA-N 306.322 1.032 0 40 DDAB Cc1cccc(CS(=O)(=O)NCCn2nc(C)cc2C)c1 44159160 SBOYBIFZSYUQBY-UHFFFAOYSA-N 307.419 1.928 0 40 DDAB Cc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1 42646645 ZCMAAMHVXKWSJM-UHFFFAOYSA-N 312.325 1.979 0 40 DDAB O=C(NCC[C@@H](O)C1CC1)C(=O)NCc1ccccc1Cl 77108411 ZRSVRCJTSCHKGT-CYBMUJFWSA-N 310.781 1.233 0 40 DDAB Cc1ccc2c(c1)OC1(CCN(S(C)(=O)=O)CC1)CC2=O 225816739 JLNMFSCPOFGBCE-UHFFFAOYSA-N 309.387 1.754 0 40 DDAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@H]1CCCO1 222745741 FVPNTMOHKSBIIF-CZUORRHYSA-N 304.390 1.719 0 40 DDAB O=C(NCCCC(=O)N1CCCN(C2CCCC2)CC1)C1CC1 195530596 DHCYJEYEIVOPMI-UHFFFAOYSA-N 321.465 1.770 0 40 DDAB CN(C)C(=O)NC[C@H]1CC12CCN(C(=O)c1ccco1)CC2 96238299 VBEQGHKIDYVFHM-GFCCVEGCSA-N 305.378 1.793 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96220528 JVRMUMDMQBQUMC-OAHLLOKOSA-N 320.389 1.395 0 40 DDAB COc1cnc(O[C@H]2CCN(Cc3c(C)noc3C)C2)nc1 1207140545 VNQIVAQYJFEFIE-LBPRGKRZSA-N 304.350 1.743 0 40 DDAB CC[C@](Br)(C(=O)c1cccc(N)c1)S(C)(=O)=O 96518677 SSDOAHIXOHEHBP-LLVKDONJSA-N 320.208 1.997 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ccnn2C1 96188899 LBKSPCLVPIZOKP-CQSZACIVSA-N 317.364 1.870 0 40 DDAB Cc1nc(CN2C(=O)COC3(CCN(C)CC3)[C@H]2C)cs1 96201590 MOKDRCLXKJNRHH-LLVKDONJSA-N 309.435 1.663 0 40 DDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)N(C)C)n1 96054048 MKYKNSKQKFYHAK-KBPBESRZSA-N 302.378 1.247 0 40 DDAB O=C(O)CCC(=O)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96220095 RADJFCPEBFNEHE-XJKSGUPXSA-N 319.361 1.118 0 40 DDAB CCc1ccc(CN2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)s1 96414524 FPDWJJZVUVKJMU-LLVKDONJSA-N 324.450 1.012 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1sc(C)nc1C 96439683 XUSONHOOIFAQRQ-SCZZXKLOSA-N 312.439 1.862 0 40 DDAB O=C1[C@H]2CN(c3ncc(F)cn3)C[C@H]2CN1Cc1cccnc1 96080665 OAGDIYMSVNDPOT-OCCSQVGLSA-N 313.336 1.106 0 40 DDAB CCN1CCOC[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 96049612 LOYYFOREXYETBX-KRWDZBQOSA-N 303.406 1.656 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4cccn4C)CC[C@@H]3O2)n1 96070542 MGLBQZXDDLEGOF-FPMFFAJLSA-N 316.361 1.709 0 40 DDAB CS(=O)(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 96216557 IVUHBGVSXXCXQQ-AWEZNQCLSA-N 317.451 1.491 0 40 DDAB C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1ccon1 96427894 CPQQXSNIGVCPBY-SWLSCSKDSA-N 322.386 1.966 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2ccncc2)Cc2cnn(C)c21 96060080 REXSVCGEMXYYJX-AWEZNQCLSA-N 300.362 1.591 0 40 DDAB CCS(=O)(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1=O 96409596 PWEGGMPXDOLFAN-GFCCVEGCSA-N 314.382 1.569 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@](C)(OC)c1ccccc1F 96390792 WEGKDBAOCCMRCN-MRXNPFEDSA-N 321.352 1.859 0 40 DDAB CCOC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 242649013 RRFKYUCXGORNGX-MCIONIFRSA-N 317.838 1.975 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 244324773 XKLYVIUHTUJUDM-UHFFFAOYSA-N 320.389 1.310 0 40 DDAB COc1ccc(C)cc1CC(=O)N[C@@H]1CCC[C@@H](OC)[C@@H]1O 257300218 RTMGVLCYAKQHCJ-FRFSOERESA-N 307.390 1.591 0 40 DDAB Cc1onc(C(C)C)c1C(=O)N1CC[C@H]2OCC(=O)N(C)[C@H]2C1 257254797 KESSVSDXNDYZLA-NWDGAFQWSA-N 321.377 1.178 0 40 DDAB O=C(CCc1nc2ccccc2[nH]1)N1C[C@H](O)[C@]2(CCCO2)C1 257234947 GVTFSJASSTVFOG-YOEHRIQHSA-N 315.373 1.248 0 40 DDAB O=C(N1CC[C@H](O)[C@]2(CCCO2)C1)C1(c2ccccc2F)CC1 257212821 CFCCBZGYHTZKQH-YJBOKZPZSA-N 319.376 2.000 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N2CC[C@H](C(N)=O)C2)cc1F 45102436 HMYABUACUXCXRA-KOLCDFICSA-N 309.341 1.412 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NC(C1CC1)C1CC1 69664879 BCJAIVBRHZYBNP-CQSZACIVSA-N 303.410 1.047 0 40 DDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc3nccn3c2)C1 1553718895 GZODZTKTLVLNHZ-CHWSQXEVSA-N 311.345 1.660 0 40 DDAB COc1ccc([C@H](O)CNc2c(C)c(C)nc3ncnn23)cc1 70017939 OPYQLGHWLGPZOV-CQSZACIVSA-N 313.361 1.895 0 40 DDAB CCOC(=O)CNC(=O)CN1CCC(c2cccs2)CC1 85473454 YNWMYWYPRNFCHT-UHFFFAOYSA-N 310.419 1.607 0 40 DDAB CCN(C(=O)c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 4504649 DGQVLKOHXPBONF-VIFPVBQESA-N 303.330 1.614 0 40 DDAB Brc1cc(Br)nc(N2CCOCC2)n1 160971760 NJTWFRALIFWUSN-UHFFFAOYSA-N 322.988 1.838 0 40 DDAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)NC(N)=O 5174797 QMTAJMPWXUQSNB-MRVPVSSYSA-N 308.338 1.687 0 40 DDAB COC(=O)[C@H](N)Cc1ccc(O)c(I)c1 13354682 MBOJFMMTOKMYMT-MRVPVSSYSA-N 321.114 1.040 0 40 DDAB CC(=O)O[C@@H]1C[C@@H](COC(=O)c2ccccc2)O[C@@H]1OC(C)=O 13436398 DPLPHOLDKAGPOZ-LZWOXQAQSA-N 322.313 1.453 0 40 DDAB COc1cc2nc(NN)n(-c3cccnc3)c(=O)c2cc1OC 15424596 KEMXSLGVTZJRBL-UHFFFAOYSA-N 313.317 1.084 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 16959383 BOWYWMCTBVCNNW-CYBMUJFWSA-N 312.391 1.448 0 40 DDAB Cc1ccc(O[C@@H](C)CNC(=O)[C@@H](C)Cn2cncn2)cc1 19210959 GGKPBEZECNNORQ-KBPBESRZSA-N 302.378 1.806 0 40 DDAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)NC1CC1 3508995 VZDUIOWALOMBBG-HNNXBMFYSA-N 319.357 1.680 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2c(C)[nH]c3ccccc23)C1=O 5878554 RGPIJNABYAEUIC-UHFFFAOYSA-N 313.313 1.470 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)ncn1 1888843436 ORVICJSJAKPOFM-GJZGRUSLSA-N 309.373 1.388 0 40 DDAB O=C1NCCC[C@@H]1N1CCN(c2nsc3ccccc23)CC1 1888864368 XJNMXRNDWFUQGR-ZDUSSCGKSA-N 316.430 1.697 0 40 DDAB COc1cc(N2CCC[C@@H](COc3ncccn3)C2)ncn1 1889102920 CFSQFIVIGMFFMB-GFCCVEGCSA-N 301.350 1.571 0 40 DDAB Cn1ncc2c(=O)n(Cc3nnc(-c4ccccc4)o3)cnc21 18340982 HUXSYFZQGVRCAE-UHFFFAOYSA-N 308.301 1.228 0 40 DDAB CN1CC[C@@H](N2CCC(N(C)c3ncc(Cl)cn3)CC2)C1=O 1848587302 RODCWHWODUUJID-CYBMUJFWSA-N 323.828 1.261 0 40 DDAB Cc1cc(NC(=O)CCc2nc(-c3ccncc3)no2)n(C)n1 29803206 WWFDNTCLXWKLJA-UHFFFAOYSA-N 312.333 1.745 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1nnc(C)s1 12236509 SWTHMACYUDPZEF-MRVPVSSYSA-N 323.403 1.387 0 40 DDAB CCn1cc(CN2CCC3(CC2)C[C@@H](N(C)CCF)CO3)cn1 2055754628 KYMLZQHHMCZAIO-MRXNPFEDSA-N 324.444 1.928 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 606440768 XOIOUAAUTZWMRQ-WCQYABFASA-N 300.362 1.910 0 40 DDAB NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCCO2 4275751 IKKTXBKSYSUTEB-UHFFFAOYSA-N 304.327 1.871 0 40 DDAB NC(=O)Cc1ccc(NC(=O)NCCOc2ccccc2)cc1 45726088 MHNYFKQWEHJFFJ-UHFFFAOYSA-N 313.357 1.915 0 40 DDAB O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccc1 30445268 MYNQLRNNNMPOTA-UHFFFAOYSA-N 304.371 1.281 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)c2ccc3[nH]nnc3c2)cc1 40488725 LCGCSQRVSXDDHU-UHFFFAOYSA-N 309.329 1.846 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](C(N)=O)C2)o1 50856443 TUEZVQMDOIYUFY-WXPVXBESSA-N 304.346 1.129 0 40 DDAB O=C(Nc1nccs1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31602253 YOGCTZSLHFIGFF-JTQLQIEISA-N 302.359 1.525 0 40 DDAB O=C(NCCNc1ncccn1)c1ccc2c(c1)OCCCO2 40513655 CQZXGAQNVXOKAP-UHFFFAOYSA-N 314.345 1.480 0 40 DDAB NC(=O)c1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1 40526769 DWYHDOWBTGCIPL-UHFFFAOYSA-N 302.378 1.534 0 40 DDAB O=C(CN1CCN(CCOc2ccccc2)CC1)N1CCCC1 46168018 MNUNONIFMFVAER-UHFFFAOYSA-N 317.433 1.305 0 40 DDAB COc1ccc(CC(=O)NCC(=O)n2nc(C)cc2C)cc1 186793 YUTXALLZGVLAEV-UHFFFAOYSA-N 301.346 1.508 0 40 DDAB C[C@H]1COCCN1C(=O)c1cccc(N2CCCS2(=O)=O)c1 46255412 WUZUINUHOIGGQB-LBPRGKRZSA-N 324.402 1.087 0 40 DDAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N1CCNC1=O 71837425 GPDUCJJLIDPZCT-JTQLQIEISA-N 318.402 1.841 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1COc2ccccc2O1 29874233 RXXZMLWTLZHKLD-NSHDSACASA-N 310.309 1.530 0 40 DDAB CS(=O)(=O)N[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 1695756 QZNMKLUUSKXLDR-GOEBONIOSA-N 317.366 1.921 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@]23C=C[C@H]1O3 3882483 MWORSPXVTCBYLG-NWJSVONSSA-N 305.717 1.711 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c(=O)[nH]1 84130977 RRLGXECNBGDSDL-LBPRGKRZSA-N 314.345 1.921 0 40 DDAB COc1ccc(CNC(=O)c2nsc(C(=O)O)c2N)cc1 33268042 GBKUZCGRCCUXBT-UHFFFAOYSA-N 307.331 1.362 0 40 DDAB CCc1nnsc1C(=O)N1CCC(Nc2cccnn2)CC1 71863339 GFUPQCGBNIYTML-UHFFFAOYSA-N 318.406 1.607 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCn2c1nc1ccccc12 54361218 YVALEBGUDHCKII-UHFFFAOYSA-N 318.358 1.850 0 40 DDAB Cc1cc(Br)oc1C(=O)N1CC[C@H](C(N)=O)C1 53895085 ZHAGWPTYPSYFPV-ZETCQYMHSA-N 301.140 1.298 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCCC3)cc2)CCO1 24715592 RVLOMQYMNIFZPW-AWEZNQCLSA-N 303.406 1.946 0 40 DDAB C[C@@H]1Oc2ccc(Nc3ncnc4c3cnn4C)cc2NC1=O 12585558 YAXBJCZCOIDOKK-QMMMGPOBSA-N 310.317 1.826 0 40 DDAB O=C(CCn1cncn1)NCc1ccc(Br)s1 25474974 TZCIBMNTGKAXNO-UHFFFAOYSA-N 315.196 1.809 0 40 DDAB CON(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 43845833 VNDKVCSPYAXJFB-UHFFFAOYSA-N 315.395 1.646 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(C[C@H]2CCOC2)C1 107503312 HIGLZXFKJNPDRK-OCCSQVGLSA-N 306.410 1.490 0 40 DDAB NC(=O)C1(CNC(=O)C2(c3ccccc3)CCC2)CCOCC1 57007132 LXKJQWAQFYJWTA-UHFFFAOYSA-N 316.401 1.507 0 40 DDAB O=C(NCCn1ccnc1)Nc1ccc(N2CCCC2)nc1 48085932 GLLAJCVFUULQCS-UHFFFAOYSA-N 300.366 1.700 0 40 DDAB O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]2C1=O)C31CC1 100500921 DSPNXKHVYQLUJU-DARAHFNDSA-N 322.364 1.458 0 40 DDAB C[C@@H](Nc1cccc(Cn2cccn2)c1)C(=O)N1CCNC1=O 27013344 KSQAAAANBKLQSM-GFCCVEGCSA-N 313.361 1.284 0 40 DDAB CN1CCCN(CCCN2C(=O)CNC2=O)c2cc(F)ccc21 72293972 ODIMEPQIQBTEAM-UHFFFAOYSA-N 320.368 1.414 0 40 DDAB COC(=O)c1cc(OC)ccc1OCC(=O)N1CCO[C@@H](C)C1 48264699 POAGQWWEWLNHGR-NSHDSACASA-N 323.345 1.108 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58266540 HCJHAJPIVMZZDN-CQSZACIVSA-N 303.406 1.498 0 40 DDAB C[C@H](NC(=O)NCc1cccnc1-n1cccn1)[C@@H]1CCCO1 48253112 XGJUEHGWALBYNF-JSGCOSHPSA-N 315.377 1.634 0 40 DDAB Cc1oc(C)c(C(=O)NCCCN(C)S(C)(=O)=O)c1C 44919109 LTTYIHMZRKGDCO-UHFFFAOYSA-N 302.396 1.216 0 40 DDAB C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)n1cncn1 44908820 IJUGAWXHZYEAON-CHWSQXEVSA-N 319.434 1.854 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2cccnc2)CC1 45056890 KQYHZMYYPVQKRV-UHFFFAOYSA-N 311.389 1.640 0 40 DDAB O=C(NCc1ccc(F)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 58441452 OAVLVSJLTHYYKR-CABCVRRESA-N 307.369 1.488 0 40 DDAB CCNC(=O)N1C[C@@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2C1 67897461 VBPHZBZOJFTZBQ-KGLIPLIRSA-N 309.410 1.208 0 40 DDAB biogenic,in-vitro CC(C)C[C@@H](CO)NC(=O)Nc1cnn(CC(F)(F)F)c1 72294259 VLCUXMGRGBUPKD-VIFPVBQESA-N 308.304 1.974 0 40 DDAB CC(C)c1ncc(Cl)c(C(=O)N2CCC(CC(N)=O)CC2)n1 71839331 OGOCUXYGYWKMSI-UHFFFAOYSA-N 324.812 1.981 0 40 DDAB O=C1C[C@@H](c2ccccc2)N(C(=O)C[C@H]2CCCO2)CCN1 71821285 UOTFAKYVBXJDBZ-CABCVRRESA-N 302.374 1.645 0 40 DDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc2ccccc2[nH]c1=O 71904640 XBNOSRJCCYNFDQ-RYUDHWBXSA-N 322.430 1.782 0 40 DDAB Cc1c([C@@H]2CCCN2c2cc(-n3cccn3)nc(N)n2)cnn1C 92940871 NAEVQDIZTNGLTQ-ZDUSSCGKSA-N 324.392 1.628 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)c1ncnc2[nH]ncc12 65401443 LNNNOFRQCHMHSX-UHFFFAOYSA-N 306.333 1.570 0 40 DDAB O=C(NCCc1cccnc1)NCc1nnc2n1CCCCC2 65565402 VKPCFLJGRHCARM-UHFFFAOYSA-N 314.393 1.441 0 40 DDAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 4504747 XVZAMIUXNVUHFM-NSHDSACASA-N 321.320 1.965 0 40 DDAB O=CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 4548233 LHJCBMAJGJMWEA-UHFFFAOYSA-N 317.172 1.673 0 40 DDAB CCCn1c(=O)c2c(nc3n(C(C)C)c(C)c(C)n23)n(C)c1=O 4940664 VLXSRJYCWMILAR-UHFFFAOYSA-N 317.393 1.757 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15645239 MFRZWWMTDHDNDT-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB COc1cccc(NC(=O)COC(=O)c2ccc[nH]c2=O)c1 7677110 IBQVTULPMNPYRF-UHFFFAOYSA-N 302.286 1.179 0 40 DDAB CS(=O)(=O)c1cc(F)ccc1N1CCC[C@@H](C(=O)O)C1 16158937 AAYAFMIVXVHLIJ-SECBINFHSA-N 301.339 1.530 0 40 DDAB O=C(c1ccc2c(c1)OCCO2)N1CCN(C(=O)C2CC2)CC1 9386169 GAPHLTOOEMQMRN-UHFFFAOYSA-N 316.357 1.152 0 40 DDAB COc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 9389739 UODXVYZOCLTIJO-UHFFFAOYSA-N 301.346 1.967 0 40 DDAB O=C(CCCNC(=O)C1CC1)N[C@@H]1CCN(CC2CCCC2)C1 81293754 BQLLNWFHSJDQNG-MRXNPFEDSA-N 321.465 1.674 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2 8345997 YXUCSCKJJDWNBS-CYBMUJFWSA-N 321.764 1.437 0 40 DDAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCNC(=O)C2)c(Cl)c1 26195965 JWPOROMQWYTQAD-LLVKDONJSA-N 309.797 1.716 0 40 DDAB Cc1ccccc1OCCCNC(=O)CN1CSCC1=O 69897313 FOZUHXGUBQDKFN-UHFFFAOYSA-N 308.403 1.413 0 40 DDAB Cc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1F 72300554 BJKHDNAUUGMUQJ-SWLSCSKDSA-N 314.426 1.894 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2c([nH]c1=O)CCC2 84310608 WMAFDYQFVNCIDO-AWEZNQCLSA-N 312.373 1.405 0 40 DDAB COCCNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 25524048 HKZJNJUACPPCMV-AWEZNQCLSA-N 318.398 1.982 0 40 DDAB COc1ccc(CN2CCO[C@]3(CCCN(C(C)=O)C3)C2)cc1 63527615 HRFFRDCRPOPCDA-GOSISDBHSA-N 318.417 1.909 0 40 DDAB C[C@H]1CO[C@@H](CO)CN1C(=O)c1cncc(-c2ccccc2)c1 95979146 KUMBHEQCPVDNSC-SUMWQHHRSA-N 312.369 1.970 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)cc1N(C)C 89644199 GRKUXEVQNOOTEH-CYBMUJFWSA-N 300.424 1.356 0 40 DDAB Cc1nsc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 89721339 WUJPYLYMEVCTAM-HUUCEWRRSA-N 316.430 1.936 0 40 DDAB Cn1cccc1CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 75354525 BALMGUFYABKTQA-CQSZACIVSA-N 315.373 1.929 0 40 DDAB CN(C)c1cc(CNC(=O)[C@H]2CCC(=O)N2)c2ccccc2n1 75385977 KBIVLXYZCZQKTA-CQSZACIVSA-N 312.373 1.196 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)c2cccnc2S)CC1 25289220 AEZFUADVQNWXPI-UHFFFAOYSA-N 307.419 1.747 0 40 DDAB CCC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2116098 ONXVEHAZBASNDH-GFCCVEGCSA-N 319.313 1.541 0 40 DDAB biogenic COc1cc(OC2CC2)ccc1C(=O)N[C@H]1CCC(=O)N[C@@H]1C 554613397 GFUDDAPSXYTGLZ-YGRLFVJLSA-N 318.373 1.633 0 40 DDAB COC(=O)[C@@H]1CCCN1CCc1nc(-c2ccccc2)no1 77250556 ZTYVPJJZVYEGDL-ZDUSSCGKSA-N 301.346 1.917 0 40 DDAB CC(C)(C)S(=O)(=O)CCNC(=O)Cc1ccc(F)cc1 79052116 GRLJFKSCMPQRRY-UHFFFAOYSA-N 301.383 1.698 0 40 DDAB COCC(C)(C)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 74949961 NFFAOMMNSLBQCD-MRXNPFEDSA-N 320.433 1.819 0 40 DDAB O=C(NCCc1ccccn1)c1cccnc1N1CCOCC1 32657261 GRGTYNYLDATFBM-UHFFFAOYSA-N 312.373 1.286 0 40 DDAB CN(CC1(N(C)C)CCC1)C(=O)NCc1ccnc(N(C)C)c1 189671565 GJJYNRIVPHYRDH-UHFFFAOYSA-N 319.453 1.773 0 40 DDAB Cc1ccsc1CN1CCO[C@](C)(C(=O)N2CCOCC2)C1 72379682 NZEDWGROLUHDGU-INIZCTEOSA-N 324.446 1.506 0 40 DDAB O=C1CC[C@H](C(=O)NCc2cc(-c3ccccc3F)on2)N1 38754277 XUNVYOVDVBSWGH-GFCCVEGCSA-N 303.293 1.376 0 40 DDAB Cc1csc2ncn(Cc3nc(C4CC4)nn3C)c(=O)c12 563113103 HOLIHOHGEPVADE-UHFFFAOYSA-N 301.375 1.821 0 40 DDAB CNc1nnc(SC[C@](O)(C(N)=O)c2ccccc2)s1 521395096 IQSRYPHSYAUTMG-GFCCVEGCSA-N 310.404 1.045 0 40 DDAB O=C(COc1cccc(Cl)c1)NCCCN1CCOCC1 45162725 RQUAEIUYGLEAIY-UHFFFAOYSA-N 312.797 1.557 0 40 DDAB C[C@@](O)(CN1CCC(Oc2ccc(F)cc2F)CC1)C(=O)O 571570655 GRXAUQIVCFGNFY-OAHLLOKOSA-N 315.316 1.644 0 40 DDAB COC[C@H](C)NC(=O)c1snnc1-c1ccc(OC)cc1 225763833 KZPCVIGKNWRCAZ-VIFPVBQESA-N 307.375 1.978 0 40 DDAB CCn1ccnc1C(=O)N1CCCN(c2cccnn2)CC1 329915376 YGSNMFHBJWPDPF-UHFFFAOYSA-N 300.366 1.046 0 40 DDAB C[C@@H]1CCSCCN1C(=O)Nc1ccn(CCN(C)C)n1 192278566 PFPZWNDZAWLZEW-GFCCVEGCSA-N 311.455 1.804 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 195546416 TYSBDMDLJCGTSG-HDMKZQKVSA-N 316.401 1.183 0 40 DDAB CCc1c(C(=O)N2CCOC[C@@H]2CCOC)[nH]c(C)c1C(=N)O 330906658 DTEGDRQQRPVGMU-NSHDSACASA-N 323.393 1.646 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NC3CC3)O[C@H]2C1 96041012 ZSIKIMDNGMTPLI-RCBQFDQVSA-N 319.405 1.549 0 40 DDAB CCOC(=O)C1=Cc2sc(=O)[nH]c2S[C@@H]1C(=O)OCC 96318864 MNVUFJVQDDFXFJ-QMMMGPOBSA-N 315.372 1.420 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)/N=c2/[nH]nc(-c3ccoc3)[nH]2)n1 96408401 NQMMAVRQBVGHOW-SNVBAGLBSA-N 300.322 1.500 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H](N(C)C)C[C@H]2C(=O)O)cc1 96068993 CPDPOVAGTPIAJE-OCCSQVGLSA-N 306.362 1.315 0 40 DDAB COCCO[C@@H]1CCN(C[C@@H]2CCOC2)[C@@H]1Cc1cnn(C)c1 96200663 QINGIKSAESZJQN-USXIJHARSA-N 323.437 1.105 0 40 DDAB CCN(C)c1ccccc1NC(=O)NCC1(O)CCN(C)CC1 96420230 ISGPNBSTAULRPG-UHFFFAOYSA-N 320.437 1.721 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96042896 PSANZVBDRLGIAB-YESZJQIVSA-N 315.417 1.587 0 40 DDAB CN1CCC[C@]2(CCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)C1 333830832 LEHYEWQSRNLQAT-DYVFJYSZSA-N 317.437 1.394 0 40 DDAB Cc1c(C(=O)N=c2[nH]cc[nH]2)sc2nc3n(c(=O)c12)CCC3 95478136 PWVSNGYEMGXYAY-UHFFFAOYSA-N 315.358 1.110 0 40 DDAB COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cn1 95472826 HGFBLQJJQRLQLI-CQSZACIVSA-N 310.317 1.305 0 40 DDAB CCn1cccc(NC(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1=O 333942356 PVSFDPKFNZSTBP-DZGCQCFKSA-N 318.421 1.959 0 40 DDAB CC(C)Cn1cnnc1[C@H]1CCCN1CCN1CCOC1=O 96415749 ZQSBTGGRVLJWDT-CYBMUJFWSA-N 307.398 1.523 0 40 DDAB CSC[C@](C)(O)CN[C@H](C)Cn1cc(Br)cn1 96478078 UYEDUWLAKRVDTF-MWLCHTKSSA-N 322.272 1.738 0 40 DDAB CC(C)CNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 244201492 VOXUGZDKZITSFT-UHFFFAOYSA-N 302.371 1.364 0 40 DDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C[C@@H]21 257272562 NCWMCASINRVTNI-JKSUJKDBSA-N 314.385 1.247 0 40 DDAB C[C@@H](C(=O)NC(C)(C)COCc1ccccc1)S(C)(=O)=O 252494116 NLHUPPRDKVUIHU-LBPRGKRZSA-N 313.419 1.531 0 40 DDAB Cn1cc(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)cn1 257279531 OHAPVOGDBLZIRK-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB CC(=O)N1CCC[C@@H](c2cncc(-c3cnc(N)s3)n2)C1 257324796 WQFYBTCMHCLUOM-SNVBAGLBSA-N 303.391 1.908 0 40 DDAB CNc1nc(C)cc(C(=O)N[C@H](COC)c2ccc(C)o2)n1 252509950 YZAMCOXCPSFBEE-GFCCVEGCSA-N 304.350 1.846 0 40 DDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1ccccc1 257244688 IMJMULLZWTVWMQ-NCOADZHNSA-N 313.353 1.358 0 40 DDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)c1cccn1C 257341368 ZKAOXENIYGTTDC-KRWDZBQOSA-N 314.389 1.134 0 40 DDAB Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 262436234 CESYWSJYQYXHJP-SNVBAGLBSA-N 301.339 1.619 0 40 DDAB O=C(c1ccccn1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025339 MHCYJFDCZDFMDV-CQSZACIVSA-N 316.382 1.770 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575404136 MMBDRTGNYPTTRG-CYBMUJFWSA-N 308.403 1.583 0 40 DDAB Cn1c(NC(=O)CN2Cc3ccccc3C2=O)nnc1C1CC1 585113358 SXRJAFSHEAKHBL-UHFFFAOYSA-N 311.345 1.287 0 40 DDAB CCOCc1nnc2n1CCN(Cc1ncccc1C)[C@H](C)C2 585097709 MYKAUBZKRKYCRF-CQSZACIVSA-N 315.421 1.965 0 40 DDAB Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2C2CCC2)n1 585094929 USVWNSWWAYAUAJ-AWEZNQCLSA-N 313.405 1.877 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585280178 ZEUTZRODAZMCBJ-SJORKVTESA-N 303.402 1.865 0 40 DDAB Cc1ccccc1CC(=O)Nc1ccc(S(C)(=O)=O)nc1 47224139 IXDKDSYXLVRNJX-UHFFFAOYSA-N 304.371 1.975 0 40 DDAB CC(C)N1CCC(NC(=O)C2CCN(C(=O)C3CC3)CC2)CC1 48343962 CPISDCVTTNGLKN-UHFFFAOYSA-N 321.465 1.624 0 40 DDAB C[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)O1 97107297 CYJNURXNBYILLB-IUODEOHRSA-N 323.824 1.947 0 40 DDAB CN1N=C(C(=O)Nc2ncccc2Br)CCC1=O 96449124 OTEPPXLVQIECCE-UHFFFAOYSA-N 311.139 1.391 0 40 DDAB Cn1c(=O)c2c(c3ccccc31)OC(=O)C(Cl)(Cl)C2=O 5887866 TTWCGYZKIZRBHP-UHFFFAOYSA-N 312.108 1.814 0 40 DDAB CCCCNC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3436202 WZNJWJFEFUYKLV-FNORWQNLSA-N 305.330 1.888 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC(C)(C)C)n2)o1 12182692 GUNDVASWQJFDKQ-UHFFFAOYSA-N 304.350 1.309 0 40 DDAB O=C(c1ccc(=O)[nH]n1)N1CCS[C@H](c2ccco2)CC1 207005097 BMODRBANGAPGKR-LBPRGKRZSA-N 305.359 1.683 0 40 DDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1N 100389718 GFFLVIDSGAZNKC-UHFFFAOYSA-N 316.357 1.850 0 40 DDAB in-vitro COCCNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 5751944 XRNYUBHMHWHEJC-SFCYXTAJSA-N 308.422 1.470 0 40 DDAB Cc1cc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)no1 1889101203 PKERVFXPJIGDGY-CYBMUJFWSA-N 309.435 1.770 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]1CO)N2C(=O)OC(C)(C)C 953122474 FAGJVKLOERDLDU-ONTMQJAFSA-N 314.382 1.586 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H](C)C1 21534082 DMXADPKPXGXYNR-VIFPVBQESA-N 301.368 1.007 0 40 DDAB O=C(CSc1nnnn1-c1ccccc1)Nc1cccnc1 1094759 MZAGVBVKDOWAEV-UHFFFAOYSA-N 312.358 1.788 0 40 DDAB CCOc1nn(CC)cc1C(=O)NCc1ccc2c(c1)OCO2 9070251 WKZRNSOEHXFPRE-UHFFFAOYSA-N 317.345 1.960 0 40 DDAB CSc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 16847985 IKFHVFFVEIGPDW-LBPRGKRZSA-N 314.432 1.771 0 40 DDAB CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1)NN2Cc1ccccc1 19169114 OMWIXGLNODRCFR-ZACQAIPSSA-N 321.380 1.732 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CC(c3nc(C)no3)C2)cc1 49482219 YADFYJDRJPKWJE-UHFFFAOYSA-N 323.374 1.565 0 40 DDAB C[C@@H]1CN(Cc2cc(C3CC3)on2)CCN1Cc1cnn(C)c1 2298031807 HLDSFAIRWOZUQZ-CYBMUJFWSA-N 315.421 1.992 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2)c1 36543856 VNFDLVFTGKXSSP-QGZVFWFLSA-N 323.396 1.764 0 40 DDAB CN1C(=O)[C@H](NC(=O)C(=O)NC2CCCCC2)c2ccccc21 40288213 YNHGDUZZXLJXOK-CQSZACIVSA-N 315.373 1.269 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(-n2cnnn2)cc1 31691758 OGTZJWIMDOIDFE-QMMMGPOBSA-N 315.255 1.568 0 40 DDAB CCC(=O)c1ccc(OCC(=O)N[C@@H]2CCCCNC2=O)cc1 40513570 CKUJUASOBJVJIY-CQSZACIVSA-N 318.373 1.443 0 40 DDAB CN(C(=O)c1ccc(S(=O)(=O)N(C)C)o1)C1CCCCC1 40512000 RMIHVQRVQGEIOH-UHFFFAOYSA-N 314.407 1.935 0 40 DDAB CC(C)Oc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1 101675756 VOWIGAMCWCSRNN-LBPRGKRZSA-N 301.306 1.444 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2cc(C)on2)C1 84117057 JQYXFTGVLYGSBJ-AWEZNQCLSA-N 319.365 1.297 0 40 DDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(O)c1 65540 RMKMDGQWGUBLPS-ZDUSSCGKSA-N 300.318 1.836 0 40 DDAB COC(=O)CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 134410 CRTOZSPSTNTZAF-UHFFFAOYSA-N 317.345 1.376 0 40 DDAB CC[C@H](C)NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 415089 PXEIHVHVGDANRM-JTQLQIEISA-N 319.365 1.272 0 40 DDAB CC(C)[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102337298 TWGMMOFPMCCJHR-SECBINFHSA-N 305.403 1.997 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cccnc2Oc2ccccc2)C1 41132395 SMYAYUTTYKXLAW-GFCCVEGCSA-N 311.341 1.821 0 40 DDAB CC(C)NS(=O)(=O)c1cccc(CNc2ncccn2)c1 32803899 IDZKLDMKVUVTEC-UHFFFAOYSA-N 306.391 1.775 0 40 DDAB O=C(COC(=O)c1ccc(O)cc1)NC(=O)NC1CCCCC1 3517334 JMNAJCSEIISZBT-UHFFFAOYSA-N 320.345 1.708 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 6241655 NTGJUHBPOHVIJV-DOTOQJQBSA-N 324.380 1.889 0 40 DDAB CCOC(=O)c1sc2ncn(CC(=O)N(C)C)c(=O)c2c1C 6497606 MVFMEMWUMLWGPN-UHFFFAOYSA-N 323.374 1.031 0 40 DDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cncc(F)c1 97086404 BVCTXHJUVZGXFG-CQSZACIVSA-N 314.320 1.541 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc(C)oc2C)CC1 23207387 JOFKZDSLYOEURJ-LBPRGKRZSA-N 322.361 1.132 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)[C@@H]1CCCO1 100141254 TVVSLCSISYUBKC-KYOSRNDESA-N 312.373 1.805 0 40 DDAB CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 47886448 FVKCPOPNWSORBP-HNNXBMFYSA-N 316.449 1.906 0 40 DDAB CCOCCCNC(=O)c1ccccc1NS(C)(=O)=O 23711351 ZTNWBFSFWOEWQE-UHFFFAOYSA-N 300.380 1.215 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)o1 47911065 CXLBHSCTJIUGQP-UHFFFAOYSA-N 324.402 1.626 0 40 DDAB C[C@H](C(N)=O)N1CCC(NC(=O)CCc2ccccc2)CC1 47902323 GXPZKKQTIGSEIK-CYBMUJFWSA-N 303.406 1.074 0 40 DDAB NC(=O)COc1ccccc1C(=O)NOCc1ccccc1 25039574 OJBWIFRZIYGSIH-UHFFFAOYSA-N 300.314 1.412 0 40 DDAB CC/N=c1\nc(NCC)nc2n1[C@](O)(c1ccccc1)CS2 102916262 IXVDEQRZKLOCLJ-OAHLLOKOSA-N 317.418 1.430 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 106918677 VQEXYIZVWOCXQF-KFNAQCHYSA-N 302.378 1.453 0 40 DDAB COc1ccccc1CCNC(=O)NCCNC(=O)C(C)C 26248444 RUIBLLGMXNPTLW-UHFFFAOYSA-N 307.394 1.309 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 72269600 IIFUZKDLDYRSCR-OLZOCXBDSA-N 309.435 1.431 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nccc(OC)n1 72268334 TWEGOJBUMPPFGH-CHWSQXEVSA-N 304.394 1.855 0 40 DDAB CN(C)C(=O)CN1CCCN(CCSc2ccccc2)CC1 72287548 AFFWNIXBDLDYSH-UHFFFAOYSA-N 321.490 1.875 0 40 DDAB CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25439654 WLBJHRWSPJWPTA-UHFFFAOYSA-N 304.799 1.632 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)NCc1ccncc1 12606136 NMJJLAHLKOCZRT-UHFFFAOYSA-N 300.343 1.169 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=S)NCCN1CCOCC1 20834827 TXVUMOXQZAZIID-ZDUSSCGKSA-N 305.447 1.644 0 40 DDAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCS(=O)(=O)CC1 57882159 YCVBZGMCCXGFIR-UHFFFAOYSA-N 322.308 1.968 0 40 DDAB CCCc1ncc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 76053032 YKBWTYGTERZWJK-OLZOCXBDSA-N 323.462 1.888 0 40 DDAB COCCn1nc(C(=O)N[C@@H]2CCc3ccccc32)ccc1=O 44890870 CVURMPITFKVIFP-CQSZACIVSA-N 313.357 1.307 0 40 DDAB Cc1ccc(SCc2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 58246610 HDKYVXWJYSFHNX-UHFFFAOYSA-N 316.386 1.561 0 40 DDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1F 58277420 JWQJDGKVIHHCDF-SNVBAGLBSA-N 318.345 1.254 0 40 DDAB CCCCc1ccc(CC(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cc1 97162848 DODQMWGVDNTAOQ-MLGOLLRUSA-N 307.390 1.610 0 40 DDAB COc1cccc(S(=O)(=O)CCC(=O)Nc2cc(C)on2)c1 44947634 IPFAAUXWYZTFMZ-UHFFFAOYSA-N 324.358 1.794 0 40 DDAB O=C(c1cn2cccnc2n1)N1CCO[C@H](C(F)(F)F)C1 71415723 BZBBRZDFELXWID-VIFPVBQESA-N 300.240 1.133 0 40 DDAB CCONC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1 12744696 IUZCMYNWRDDIBK-UHFFFAOYSA-N 308.363 1.310 0 40 DDAB C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 48324349 HRBXVISBVLCDRW-GXFFZTMASA-N 314.382 1.715 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CO)CC1 59403721 AEXJMMPTIGSHMK-NSHDSACASA-N 306.362 1.447 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409378726 QWFZPBWHBXQMLP-VWPFQQQWSA-N 317.341 1.356 0 40 DDAB CN(C)c1c(F)cc(NC(=O)NCCS(C)(=O)=O)cc1F 69596207 ZBXNBGIXIYBNCR-UHFFFAOYSA-N 321.349 1.197 0 40 DDAB C[C@@H](c1ccc(F)cc1F)N1CCN([C@@H]2CCOC2=O)CC1 69509679 RQWUFQAXHQIVGT-XHDPSFHLSA-N 310.344 1.959 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCC(=O)O 4204331 FXBPKENYOGLSOM-JTQLQIEISA-N 300.355 1.367 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCn3c(nc(C)c3C)C2)no1 65474455 GIIQUFSVVBPCDI-LBPRGKRZSA-N 303.366 1.639 0 40 DDAB O[C@@H]1CCCN(c2cncc(OCC(F)(F)C(F)F)n2)C1 65521818 HWWJQPWJSFBFIZ-MRVPVSSYSA-N 309.263 1.717 0 40 DDAB S=c1n(C2CC2)cnn1CN1CCN(c2ncccn2)CC1 14168629 VJTKASAARVARLF-UHFFFAOYSA-N 317.422 1.319 0 40 DDAB COc1ccc(C(=O)OCC(=O)N(C)Cc2ccco2)c(O)c1 6541318 KRNDUUGCQVTBOK-UHFFFAOYSA-N 319.313 1.809 0 40 DDAB Cc1cc(C)cc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 8844438 ODSYUQTWOSEPHB-LBPRGKRZSA-N 303.405 1.232 0 40 DDAB COc1ccccc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 67008236 AVEJFSCXLWKLJY-JTQLQIEISA-N 315.416 1.091 0 40 DDAB Nc1nc(N)nc(COC(=O)c2cc(Cl)cc(Cl)c2)n1 6987135 LYHBPXSBDQDHLL-UHFFFAOYSA-N 314.132 1.700 0 40 DDAB CCOC(=O)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 8914798 WYNVSKFRXRPFQU-UHFFFAOYSA-N 305.378 1.704 0 40 DDAB CN(CC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 7061057 GHGMEFYNFZOXAH-JTQLQIEISA-N 316.810 1.397 0 40 DDAB Cc1ccccc1N1CCN(C(=S)NCCCN(C)C)CC1 7065258 FJKBYDRSCFIQHK-UHFFFAOYSA-N 320.506 1.943 0 40 DDAB COC(=O)N1CCC(NCc2nc3ccccc3n2C)CC1 66989545 UMSZLXVJWJRNLP-UHFFFAOYSA-N 302.378 1.894 0 40 DDAB COc1ccc(C(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 71283718 XKSXYPXVHPBQOS-UHFFFAOYSA-N 324.336 1.592 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1C[C@H]1C 7723476 LOLYJLKFFUOGST-MWLCHTKSSA-N 312.391 1.540 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 9114500 XZNWGMPSZFVLGG-AWEZNQCLSA-N 308.403 1.204 0 40 DDAB COc1ccc(CN(CC(=O)N2CCNC2=O)C2CC2)cc1 8156378 DOGFRLUGSRWCND-UHFFFAOYSA-N 303.362 1.211 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)cn1 70004560 OCNYMZLCBVWKHM-AWEZNQCLSA-N 310.361 1.679 0 40 DDAB C[C@@H](C(N)=O)N1CCc2c(Br)ccc(F)c2C1 97112783 TUUHLWDPESIPHQ-ZETCQYMHSA-N 301.159 1.820 0 40 DDAB CN(C)CCn1ccc(NC(=O)NCCc2cccc(F)c2)n1 96424056 PDOUXFWPTDXEDA-UHFFFAOYSA-N 319.384 1.948 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H](N2CCNC2=O)C1 71830576 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79501728 LEGBPSRFTUDJFI-UHFFFAOYSA-N 308.345 1.338 0 40 DDAB CCN(C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)C(C)C 95975584 XCQVIYKSOORJGN-LLVKDONJSA-N 313.423 1.835 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 95961127 BLIDKCIBGBAJAY-HIFRSBDPSA-N 324.446 1.927 0 40 DDAB CCc1n[nH]c([S@@](=O)CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)n1 95966749 UZYJTSSALNLXRD-WIFINTHYSA-N 312.439 1.512 0 40 DDAB Cc1cc2nc(N3CCNC(=O)C[C@H]3C)c3ccccc3n2n1 75134614 SXFOVLOMKCGIPA-GFCCVEGCSA-N 309.373 1.906 0 40 DDAB O=C1NC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1 89779378 KOFYLNDOSXDKLJ-GFCCVEGCSA-N 316.292 1.633 0 40 DDAB O=C1NC[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)N1 89826317 AUFPTGKHGXVNNV-INIZCTEOSA-N 309.369 1.616 0 40 DDAB Cc1cccc([C@H](O)CN2CCN(c3ccnc(C)n3)CC2)c1 1548453982 CFZUQRAZCCNMHG-QGZVFWFLSA-N 312.417 1.949 0 40 DDAB CC(=O)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306139005 SMTMAEHMQRDRQP-SJORKVTESA-N 309.369 1.916 0 40 DDAB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)N1CCCC1 32799302 VXGHITFQVPINJH-VZUCSPMQSA-N 315.285 1.853 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(C(F)F)o1 32624749 JHSNKUHQKHXDHR-QMMMGPOBSA-N 311.244 1.651 0 40 DDAB CN(CCn1cccn1)C(=O)NCCC(=O)N1CCCCCC1 78925319 QFRUJIWAVWQBQA-UHFFFAOYSA-N 321.425 1.317 0 40 DDAB CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1 79412406 PVMJIULOKIQMBN-UHFFFAOYSA-N 319.405 1.595 0 40 DDAB O=C(NCc1ccco1)c1c(-n2cnnn2)sc2c1CCC2 36359661 HIFIACQQXRIULL-UHFFFAOYSA-N 315.358 1.736 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 560408034 KFKHXNITSNYDSS-LXTVHRRPSA-N 316.405 1.634 0 40 DDAB COC(=O)c1cc(I)c(OC)cc1O 39951655 RAEQPXDBTUQMET-UHFFFAOYSA-N 308.071 1.792 0 40 DDAB CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1 225597744 ISDITTIMAWELCX-CABCVRRESA-N 318.483 1.330 0 40 DDAB Cn1nc(-c2cccnc2)cc1C(=O)N[C@@]12CCC[C@@H]1NCC2 1579986248 SLNQIAAUGAVVEJ-DOTOQJQBSA-N 311.389 1.497 0 40 DDAB O=C(O)Cc1nc(CNc2cccc(Br)c2)n[nH]1 40175873 LGKZLUIRGNQMAY-UHFFFAOYSA-N 311.139 1.806 0 40 DDAB Cn1nc(C(=O)NCc2cccc(F)c2)cc1NC(=O)C1CC1 46089116 UHPSOYPSHOKEJL-UHFFFAOYSA-N 316.336 1.838 0 40 DDAB Cc1nn(C)c2cn(CC(=O)N3CCc4ccccc4C3)nc12 46087559 HTVOUASJCDTNMT-UHFFFAOYSA-N 309.373 1.663 0 40 DDAB CNC(=S)Nc1nc(OC)cc(Sc2ncccn2)n1 225877990 WDJUXIHZRZJCDW-UHFFFAOYSA-N 308.392 1.343 0 40 DDAB CC1(C)CCC(S(=O)(=O)NCC(=O)NC(C)(C)C)CC1 195579888 RYJFXXXTWDZHLE-UHFFFAOYSA-N 304.456 1.789 0 40 DDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)s1 225786981 SYRMBVAQTYACIT-QMMMGPOBSA-N 309.778 1.772 0 40 DDAB CCCN1CC[C@@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1ccccc1 514288768 BNHMVJZPTSLRSI-OKZBNKHCSA-N 320.433 1.726 0 40 DDAB biogenic,in-vitro Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)no1 96038714 IOWONOZJNFGLMS-NVXWUHKLSA-N 319.405 1.586 0 40 DDAB Cc1cc(C)c(C(=O)NCC[C@@H](O)c2ccccc2)c(=O)[nH]1 96450318 KPUSBIYQAWYHTO-CQSZACIVSA-N 300.358 1.845 0 40 DDAB CCc1ccc(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)o1 96475462 KULVAKUAYSHEAX-UHFFFAOYSA-N 303.362 1.980 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2[C@H]2CCOC2)N1Cc1cccnc1 96186356 MGZFLRBSSQVRQR-JYJNAYRXSA-N 301.390 1.436 0 40 DDAB CO[C@H](C)C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96454561 TZESBQXDBUGIDK-OQPBUACISA-N 318.295 1.557 0 40 DDAB CC(C)N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 96318591 AJEZQJKMYOBZNR-INIZCTEOSA-N 315.417 1.340 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3O2)n1 96219760 NGERTOYHPALVLL-SGMGOOAPSA-N 316.361 1.189 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cc(C)on2)Cc2nccn2C1 96187810 IMEIQRHHKHFUIG-GFCCVEGCSA-N 304.350 1.488 0 40 DDAB Cn1cccc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257255703 KINKAAPEISWQPL-CQSZACIVSA-N 300.362 1.987 0 40 DDAB CN(C)[C@@H]1CN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1O 257217302 CYKUBZCFKXYKJM-CHWSQXEVSA-N 300.761 1.155 0 40 DDAB CN[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)OC[C@]1(C)O 257221742 DQIJKCZTPBVILB-ZFWWWQNUSA-N 324.446 1.482 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2c[nH]nc2C)n1 257254278 KCLFLJADMBRUPF-HNNXBMFYSA-N 314.393 1.481 0 40 DDAB CCCn1cc(Cl)c(C(=O)N(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)n1 257287944 PSDPVFWFVWMIJI-NQBHXWOUSA-N 315.801 1.557 0 40 DDAB Cc1cc(C2CCN(C(=O)Cn3ccnc3)CC2)nc2ccnn12 257217013 CXCLCODQFHAAGW-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB Nc1cc(CC[C@H]2CN(C(=O)c3cnco3)CCO2)ccn1 257309232 UACHAGIAKQEDEE-LBPRGKRZSA-N 302.334 1.126 0 40 DDAB Cc1nc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)co1 257207573 BIIZSBJUAOZVGT-MRXNPFEDSA-N 316.361 1.091 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 257250035 JKSOBCFTHHRWIH-ZDUSSCGKSA-N 302.378 1.892 0 40 DDAB O=C(O)C[C@H]1COCCN1C(=O)c1ccc2c(c1)OCCCO2 261786580 SMSBSBCOHOZYFG-LBPRGKRZSA-N 321.329 1.164 0 40 DDAB CC(C)O[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)C1(C)C 390833042 BBTHAWWYQSSKSW-CHWSQXEVSA-N 311.426 1.485 0 40 DDAB COCCN(Cc1ccsc1)S(=O)(=O)c1cn(C)cn1 96025745 SKJVKLKZTALCDC-UHFFFAOYSA-N 315.420 1.319 0 40 DDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccccc1F 575609279 UDZOWEJYOLMMTR-UHFFFAOYSA-N 301.321 1.690 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)c3ccccc3F)C2)nn1 585149595 AWTQCIQYUCEKOY-LBPRGKRZSA-N 304.325 1.651 0 40 DDAB CCOc1ccc(OCC)c(N[C@@H](C)C(=O)NC(=O)NC)c1 46578385 FMNLDEWJKCATSF-JTQLQIEISA-N 309.366 1.740 0 40 DDAB CC1CCN([C@@H](CNC(=O)c2cccc[n+]2[O-])C(C)C)CC1 52822800 AASRNSLISGNDFW-INIZCTEOSA-N 305.422 1.806 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)n1cncn1 69327374 KOJCTGLJDHLVPS-ZIAGYGMSSA-N 302.382 1.535 0 40 DDAB CCc1ncnc(N2CCN(c3nccc(OC)n3)CC2)c1F 270571444 OZNJVCBDNFVIKV-UHFFFAOYSA-N 318.356 1.303 0 40 DDAB COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C 178737889 KEVCONOBDTUSSH-CYBMUJFWSA-N 305.371 1.200 0 40 DDAB O=C(O)Cc1cnc(-c2cccc(Br)c2)[nH]c1=O 217265509 PEAIOVGLRGRHTE-UHFFFAOYSA-N 309.119 1.827 0 40 DDAB CCc1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1 13636825 FTIYCUSLWRGSEF-NWDGAFQWSA-N 322.386 1.262 0 40 DDAB O=C1C[C@@H](C(=O)Nc2ccncc2)n2c(nc3ccccc32)N1 14671971 BFOKEFISUFXWCO-ZDUSSCGKSA-N 307.313 1.953 0 40 DDAB COc1ccc(CCNC(=O)c2cc[n+]([O-])cc2)cc1OC 16494682 ZXOIUEKOUNBLFL-UHFFFAOYSA-N 302.330 1.310 0 40 DDAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2 19344487 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CCCS(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9036289 VNFXXGPGTVQOCZ-LLVKDONJSA-N 314.382 1.508 0 40 DDAB CC(C)CC(=O)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729913 BWFHUJBZNYBTQA-CHWSQXEVSA-N 321.421 1.261 0 40 DDAB O=C(c1cccnc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705904 MIRJLMKGWPAUDJ-UHFFFAOYSA-N 321.384 1.916 0 40 DDAB Cc1nccc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 575611694 GCXJHAHTCKTXMG-GFCCVEGCSA-N 320.374 1.022 0 40 DDAB Cc1cccnc1OCC1CCN(c2nccn(C)c2=O)CC1 585527938 YOJDPBIYEKUJLN-UHFFFAOYSA-N 314.389 1.779 0 40 DDAB COc1ccc(CC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 7614230 RJAYAXRWNWPESH-UHFFFAOYSA-N 310.309 1.760 0 40 DDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2ccco2)CC1 52837 MNIAWRIJUBFLDB-UHFFFAOYSA-N 311.363 1.068 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccccn2)CC1 20543094 VOQXWFOXIBPQDT-HNNXBMFYSA-N 304.394 1.088 0 40 DDAB O=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1ccccc1 32094008 JBVWOTUZHREEJT-UHFFFAOYSA-N 314.345 1.923 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 65565 ODDBQNPMUHMQEX-CYBMUJFWSA-N 300.318 1.749 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)CCCC2 8510913 HZEYJATZJHJUPF-UHFFFAOYSA-N 324.446 1.712 0 40 DDAB COCCNC(=S)N1CCN(c2ccc(C(C)=O)cc2)CC1 2628039 SMVBOVFYRDAYHL-UHFFFAOYSA-N 321.446 1.532 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1cccc3c1OCO3)CC2 69773702 MFSYFGBHIHDMIG-GFCCVEGCSA-N 300.362 1.674 0 40 DDAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCC(C(N)=O)CC1 4355965 KIOXAUGWWYLKKN-CYBMUJFWSA-N 322.457 1.713 0 40 DDAB CCOCCCNC(=O)c1c[nH]c2ccc(OC)cc2c1=O 4861560 VCJZOXVQZHEZAD-UHFFFAOYSA-N 304.346 1.693 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4975348 STPIRLCPRPCNDK-GCJRFFTHSA-N 301.298 1.521 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 6729792 ITENAFXBHSLJTK-RFGFWPKPSA-N 305.330 1.820 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC(C(N)=O)CC1 7388522 IYPLKVOMCFYNFZ-GFCCVEGCSA-N 301.390 1.162 0 40 DDAB COc1cc([C@@H](N)CC(=O)O)cc(Br)c1OC 8022735 LZHQTBLMAGTXJW-QMMMGPOBSA-N 304.140 1.941 0 40 DDAB CC(=O)N1CC[C@@]2(C(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]2C1 101427162 JFBJWRWPZAHCCK-SJKOYZFVSA-N 316.357 1.655 0 40 DDAB O=C(NCC(F)(F)F)N[C@H]1CCCc2c1cnn2CCO 46907153 LUBDVHKLIREYBA-VIFPVBQESA-N 306.288 1.114 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2cnccn2)on1 53402263 ZPXMAWAALLKRBQ-LBPRGKRZSA-N 301.350 1.573 0 40 DDAB O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCOCC1 53548228 PIHGTSLFKFNRDA-ZDUSSCGKSA-N 309.435 1.927 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 42071468 SHHCTSBLVXHVRR-ZDUSSCGKSA-N 310.419 1.457 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2F)cn1 47223836 FPAVFZCKZYLLDA-UHFFFAOYSA-N 308.334 1.805 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)C2CCOCC2)cc1F 22975686 UMYXUQIYMUNDBD-UHFFFAOYSA-N 308.353 1.407 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC(O)CC1 42335073 NRAURDVCKPOECP-LBPRGKRZSA-N 320.389 1.632 0 40 DDAB Nc1nccnc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 23101003 RQVVNOYFNXYUIM-ZDUSSCGKSA-N 314.345 1.869 0 40 DDAB COCCN1CCN(CCC(=O)N[C@@H](C)c2ccccc2)CC1 54429448 AMBIAAWLIQTOMW-INIZCTEOSA-N 319.449 1.518 0 40 DDAB O=C(N[C@H]1CCOc2ccccc21)N[C@@H]1CCCCNC1=O 43164794 ADBOGQHWJRZYEL-QWHCGFSZSA-N 303.362 1.478 0 40 DDAB CC(C)[C@H](C(=O)NCc1ccccn1)N1C[C@H](C)O[C@H](C)C1 106515964 HJCFZINQQXRZOA-IJEWVQPXSA-N 305.422 1.832 0 40 DDAB O=C(COC(=O)c1ccc(F)cc1Cl)NC[C@@H]1CCCO1 3275507 PNZKJRWRJKKALI-JTQLQIEISA-N 315.728 1.931 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2cc(F)c(F)cc2F)CC1 97032600 PWXJKADHQYINBB-UHFFFAOYSA-N 322.352 1.571 0 40 DDAB COc1ccc(CCNC(=O)N2CCC(C(N)=O)CC2)cc1 26518346 APYDYUOLVPFJLA-UHFFFAOYSA-N 305.378 1.145 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269131 MKMQUMQNQKRJIA-UONOGXRCSA-N 307.394 1.217 0 40 DDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 26756807 RJNYCTHVFDVAOU-SDBXPKJASA-N 320.349 1.039 0 40 DDAB CCN1CCN(CC(=O)N[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)CC1 22587084 LOIHYFUROLKSQC-DAYGRLMNSA-N 307.482 1.955 0 40 DDAB CCOC(=O)/C=C/c1ccc(NCC(=O)N2CCNC2=O)cc1 12633843 UCAPKCYHENADIH-VMPITWQZSA-N 317.345 1.227 0 40 DDAB Cn1ccnc1CN1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 107785804 FXMJPEOGBTYNMF-WBVHZDCISA-N 313.405 1.661 0 40 DDAB COc1ccccc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 10023674 HJSCPNHUHWZYSB-JTQLQIEISA-N 315.416 1.554 0 40 DDAB COCC[C@H](C)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 58178362 NSVXKDHPBRZGQG-NSHDSACASA-N 304.346 1.495 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)o1 44895539 MHHZFXSROYDAOE-SNVBAGLBSA-N 305.334 1.083 0 40 DDAB COC(=O)CNC(=O)CSc1nnc(-c2ccccc2)o1 3305684 FYNYPPDFUYAOFJ-UHFFFAOYSA-N 307.331 1.118 0 40 DDAB CN1C[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1=O 44911749 HCHSZVKRFZAWFT-CHWSQXEVSA-N 321.446 1.480 0 40 DDAB Cc1cnc(S(=O)(=O)CC(=O)N[C@@H](C)CCC(C)C)nc1 44973363 WOWKBBVRKYNROF-LBPRGKRZSA-N 313.423 1.500 0 40 DDAB C[C@@H]1CN(C(=O)CNC(=O)OCc2ccccc2)CC(C)(C)O1 58391640 AIXKUFJSQWRHKX-CYBMUJFWSA-N 320.389 1.939 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(OCC(F)F)c1 58343110 DEVZZLQHQDAUOK-VIFPVBQESA-N 315.320 1.895 0 40 DDAB CNC(=O)c1ccc(CN(CCN2CCCC2=O)C2CC2)cc1 58392903 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COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OC 14220925 NXUZTMSCSOSUGF-JQWIXIFHSA-N 315.391 1.550 0 40 DDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2)CN1 14632556 XYHOQJPKYCQOAN-QWRGUYRKSA-N 300.152 1.731 0 40 DDAB COc1ccc(CCNC(=O)C[C@@H](C)CC(=O)O)cc1OC 4784818 MGJDABHOPKBQLG-LLVKDONJSA-N 309.362 1.863 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)NC(=O)N1 5785109 CYJBBSJCXAZWNT-AWEZNQCLSA-N 319.336 1.312 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COCc2ccco2)C1 6939375 ZJNIFIHUHWUOJP-KGLIPLIRSA-N 311.378 1.432 0 40 DDAB C[C@H](c1ccccc1)N(C)CC(=O)NCCCN1CCCC1=O 16047084 IEXDIAKITFIQRK-OAHLLOKOSA-N 317.433 1.808 0 40 DDAB C[C@@H](Sc1nncn1N)C(=O)Nc1ccc(Cl)cc1F 7829806 CAMQYUIFUXCIDS-ZCFIWIBFSA-N 315.761 1.904 0 40 DDAB C[C@@H](NCC1CCS(=O)(=O)CC1)c1ccc2c(c1)OCO2 90883041 YUGKHXKAJXCUDX-LLVKDONJSA-N 311.403 1.891 0 40 DDAB CNS(=O)(=O)c1cccc(CN[C@H](C)CCCN(C)C)c1 96009163 LEVCDFKBEUTBJQ-CYBMUJFWSA-N 313.467 1.415 0 40 DDAB Cn1nnnc1SCC(=O)c1ccc2c(c1)OCCCO2 8100692 ZELDULBAVFTROQ-UHFFFAOYSA-N 306.347 1.346 0 40 DDAB Cc1ccccc1-c1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1 9332844 DURXRTMIWHOEPL-UHFFFAOYSA-N 311.345 1.988 0 40 DDAB CCCCn1nnnc1CN1CCC[C@@H]1Cn1cc(C)cn1 70039392 PYRHMMQOESTPIL-CQSZACIVSA-N 303.414 1.643 0 40 DDAB O=C(O)CCN1CCN(c2ncc(Cl)cc2Cl)CC1 69348226 KENUGHNZAHKYDK-UHFFFAOYSA-N 304.177 1.985 0 40 DDAB CCOc1ccc2cc(C(=O)N[C@@H]3CC(=O)N(C)C3)[nH]c2c1 69516976 OORJMLHSYPKXTK-LLVKDONJSA-N 301.346 1.527 0 40 DDAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)NCc2ccccc2)no1 71859229 PAZNTJACFDTTCL-LAJNKCICSA-N 306.387 1.937 0 40 DDAB O=C(CCc1cccnc1)NCC[S@@](=O)c1ccccc1 71896454 PXIGJXNVRALJGU-NRFANRHFSA-N 302.399 1.938 0 40 DDAB CCc1nncn1CCNC(=O)Nc1nnc(C2CC2)s1 83834427 UZDXKPODIUHPMT-UHFFFAOYSA-N 307.383 1.391 0 40 DDAB CN(CCc1ccncc1)c1cnn(C)c(=O)c1Br 71903111 VFHRYHZDGIZTQO-UHFFFAOYSA-N 323.194 1.617 0 40 DDAB COC(=O)[C@]1(F)CCN(C(=O)NCc2sccc2C)C1 84257433 HREMRPZHDIUUPB-ZDUSSCGKSA-N 300.355 1.853 0 40 DDAB CC(=O)N1CC[C@H](OC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 97380189 QZWSAHALWXPIFX-ZDUSSCGKSA-N 317.320 1.993 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)C1C(C)(C)C1(C)C 72954491 XRHCQFYEZKRBDR-UHFFFAOYSA-N 304.456 1.456 0 40 DDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CCOC3(CCCC3)C2)C1 95422740 RONPXIATOXSISX-HNNXBMFYSA-N 320.433 1.807 0 40 DDAB O=C(Nc1ccccn1)N1CCN(c2cc(Cl)ncn2)CC1 95462217 UTLSSEKMVZFLEW-UHFFFAOYSA-N 318.768 1.879 0 40 DDAB Cc1cc(NS(=O)(=O)c2cnc[nH]2)ncc1Br 79015664 NEUBJPQMYXQNTJ-UHFFFAOYSA-N 317.168 1.676 0 40 DDAB Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1 95947091 DORXLPALACHBAK-MRXNPFEDSA-N 314.389 1.327 0 40 DDAB COC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)N(C)C(C)C 88798333 AYWMNODDUDEJCO-RYUDHWBXSA-N 306.428 1.283 0 40 DDAB CC1(C)CN(C(=O)c2cc(F)cc3[nH]cnc23)CC[S@]1=O 89919649 YOSWLAWYAPHFQJ-NRFANRHFSA-N 309.366 1.685 0 40 DDAB O=C(NCCc1ccc(O)cc1)c1cnc2sccn2c1=O 28223093 BBHCDNNRSIXZHP-UHFFFAOYSA-N 315.354 1.434 0 40 DDAB O=C(Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408618655 DUZYIVJQVZPIKP-OMDWYFEUSA-N 307.349 1.809 0 40 DDAB COCCNC(=O)c1cc(OC)c(OC)cc1-n1cccc1 32093297 BAGPBROLXQLDDI-UHFFFAOYSA-N 304.346 1.871 0 40 DDAB CCCCn1nc(C(=O)Nc2nnc(CC)s2)ccc1=O 32963913 BONMAICWSHTPSX-UHFFFAOYSA-N 307.379 1.710 0 40 DDAB CC(C)C(=O)NC(=S)Nc1ccccc1N1CCOCC1 32115067 HLPMCCAGTQZJCG-UHFFFAOYSA-N 307.419 1.992 0 40 DDAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@@H]1CC1(Cl)Cl 529819514 JEXUBKVAIZEXMV-GWCFXTLKSA-N 316.184 1.663 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3ccc(C)o3)CC2)nn1 184757798 ZVOWAHGNRNAGHJ-UHFFFAOYSA-N 304.350 1.803 0 40 DDAB CCN(CC)c1nc(C)cc(C(=O)NCCCn2cccn2)n1 72240374 MHGVZOQXLYGVJR-UHFFFAOYSA-N 316.409 1.648 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72369500 RALNCWAMFFAXIH-GFCCVEGCSA-N 310.361 1.561 0 40 DDAB COC[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218471219 BPXWDRQVNSJUND-NTZNESFSSA-N 302.323 1.054 0 40 DDAB O=C(CCNC(=O)c1cnccn1)NC1CCCCCCC1 72404566 ZYWQNLCDGXBARB-UHFFFAOYSA-N 304.394 1.826 0 40 DDAB CC(C)CCC(=O)NCC(=O)Nc1cccc(-c2nc[nH]n2)c1 79310665 BZQTWAMWXDOLOG-UHFFFAOYSA-N 315.377 1.963 0 40 DDAB Cc1nccn1-c1ccc(NS(=O)(=O)c2cccnc2)cn1 78556747 RCMQNYBCLONLNF-UHFFFAOYSA-N 315.358 1.772 0 40 DDAB CC(C)n1ccc(CNC(=O)N2CCC(F)(F)[C@H](CO)C2)n1 562291408 MUXOXUDERBPWKD-NSHDSACASA-N 316.352 1.623 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Br)c1 136509367 QEZKEHCEVBLRMB-IWDIQUIJSA-N 320.142 1.892 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(Cc3cn(C)nc3C)C[C@H]21 72336061 DFIMXGCIDZGOCD-DOMZBBRYSA-N 313.405 1.282 0 40 DDAB Cc1nc[nH]c1CC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 563708875 MWIXFXSGUZODFG-GFCCVEGCSA-N 313.423 1.076 0 40 DDAB C[C@](O)(CN[C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCOCC1 130062565 DJRZHXXZJQTRLT-MJBXVCDLSA-N 324.387 1.780 0 40 DDAB CCOC(=O)[C@@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 134858120 UMCPFDZPJRPSRP-CYBMUJFWSA-N 315.377 1.750 0 40 DDAB COc1cccc2c1CC[C@]2(N)C(=O)N(C)CC(F)(F)F 1579287999 GXUPMOMGBRWNLQ-CYBMUJFWSA-N 302.296 1.816 0 40 DDAB O=C(C[C@H]1COCCN1C[C@@H](O)C(F)(F)F)c1ccccc1 195566650 CZRXPEKTAIDJOB-GXTWGEPZSA-N 317.307 1.883 0 40 DDAB CCc1ncc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)s1 428190066 DPICIRKSWQUXAP-GWOFURMSSA-N 312.416 1.279 0 40 DDAB Cc1ccc(C)c([C@@H](O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c1 96441458 CVMUOZIWHACBTF-HOCLYGCPSA-N 311.447 1.703 0 40 DDAB Cn1cccc1CN1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C1 96182291 GYPNRKUFAYZLDN-OKILXGFUSA-N 311.389 1.019 0 40 DDAB Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)NC2CC2)n1 96184772 SXGIPQLTYGGMLT-HOTGVXAUSA-N 300.406 1.911 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96093654 HXKBFPRMRZIVQT-MRXNPFEDSA-N 319.409 1.077 0 40 DDAB Cc1noc([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)c1C(=O)O 96297020 NEXWGYUYBYKWDE-MRVPVSSYSA-N 318.285 1.901 0 40 DDAB biogenic,in-vitro Cc1cccc(CN2CCc3ncc(Cn4cccn4)n3CC2)n1 96196943 LWNIGBVHZWQFFU-UHFFFAOYSA-N 322.416 1.890 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(Cc4ccncc4)C3)C2=O)cn1 96050531 JUSZUPAFOSZPHQ-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072527 ICOFTGFCNVDNCM-BBRMVZONSA-N 314.345 1.257 0 40 DDAB CCn1ccc(C(=O)NCCn2ccc3ccoc3c2=O)n1 238835723 GQJGSLVOVDTXCB-UHFFFAOYSA-N 300.318 1.241 0 40 DDAB C[C@@H](Nc1ccc2nnnn2n1)[C@H](O)c1ccc(F)c(F)c1 96452697 ZUXKXWIXFWHNRE-UHLUBPPHSA-N 306.276 1.332 0 40 DDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(c4ncccn4)C[C@@H]32)n1 96043444 OBMQKMRFEPBYGG-JHJVBQTASA-N 301.350 1.567 0 40 DDAB O=C(NN1CCOCC1)c1cnn(-c2ccccc2)c1Cl 95117424 UWEPQLRAPSFILF-UHFFFAOYSA-N 306.753 1.503 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 96224207 NIRZSRYPVWNIFR-OAHLLOKOSA-N 314.451 1.451 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1CO 242390178 ACLWSFCSOQOKEQ-QJPTWQEYSA-N 319.220 1.958 0 40 DDAB Cc1nccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)n1 257256101 KKBZXWYBPCSOIR-AWEZNQCLSA-N 313.361 1.747 0 40 DDAB COC(=O)N1CCc2ccc(NC(=O)c3cn(C)nn3)cc2C1 96103688 HRCCAFVYAUFFEE-UHFFFAOYSA-N 315.333 1.192 0 40 DDAB CN1CCc2cc([C@@H](O)CNC(=O)NC3CCCC3)ccc21 96363039 YEUSQPBDWRTGNX-INIZCTEOSA-N 303.406 1.954 0 40 DDAB CN(C)CCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575404530 NRSZUNFVZRPVTD-CYBMUJFWSA-N 321.446 1.499 0 40 DDAB CN(C(=O)c1cccc(F)c1Cl)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585281034 RWUDJHOJSNDKQY-UISBYWKRSA-N 314.744 1.176 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1ccco1)C2 585110809 JFVRUINAIRSMED-ZDUSSCGKSA-N 300.362 1.345 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 50246613 FNWDZIBZRXXAJB-VIFPVBQESA-N 319.224 1.418 0 40 DDAB CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[C@H](C(N)=O)C1 52961023 VOHWJMNVCABTHU-NWDGAFQWSA-N 308.382 1.288 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 56156893 JQVVNRWQXWFPDO-RYUDHWBXSA-N 307.394 1.969 0 40 DDAB O=C(NOCc1ccccc1)N1CCC[C@H]1CN1CCOCC1 74088399 MIZPURPWRSNPKX-INIZCTEOSA-N 319.405 1.624 0 40 DDAB CN1C[C@@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1=O 69814815 SWPCMFLEKNBFIA-JTQLQIEISA-N 318.764 1.943 0 40 DDAB Cc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c(=O)[nH]1 75122057 VLBQNABPPDUJGO-OKILXGFUSA-N 320.389 1.484 0 40 DDAB CN(C)C(=O)c1ccc2c(c1)CCN2C(=O)C1=CCCCO1 81338819 RSCGJJUMJSGCSB-UHFFFAOYSA-N 300.358 1.972 0 40 DDAB Cc1csc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 96143186 XOVGQUNLWQEWGI-QWRGUYRKSA-N 321.402 1.955 0 40 DDAB CC(=O)NCC(=O)Nc1cccc([C@@H]2CCc3nncn3C2)c1 19699090 XORNKEBNFPKJMS-CYBMUJFWSA-N 313.361 1.083 0 40 DDAB CCOCC1(CCc2ccccc2)C(=O)NC(=S)NC1=O 5575764 KQCCPYKSXBQCIK-UHFFFAOYSA-N 306.387 1.173 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CCC1=O)C12CC3CC(CC(C3)C1)C2 5870743 ZIJRDEASWZCVIX-IWERZKIRSA-N 318.417 1.857 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)NCc1nc2ccccc2n1C 12117040 BQNGJDDMGQLDGA-UHFFFAOYSA-N 319.390 1.094 0 40 DDAB O=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 16669788 IXCLSMGDZDOYEU-FPLPWBNLSA-N 324.358 1.050 0 40 DDAB O=C(c1ccnn1C(F)F)N1CCN(Cc2ccccn2)CC1 19401807 YZBKDJCWTAUBHM-UHFFFAOYSA-N 321.331 1.631 0 40 DDAB O=S1(=O)CCC[C@H]1CNc1cc(N2CCCCC2)ncn1 151645399 LNGLDXODVKEUBZ-LBPRGKRZSA-N 310.423 1.456 0 40 DDAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)[C@H]1CCCO1 225809447 OPGBGUSBKLTCTB-SECBINFHSA-N 314.267 1.543 0 40 DDAB O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1C[C@H]1C1CCCCC1 548017580 WDOJPHQUHSGLEP-QLFBSQMISA-N 302.422 2.572 0 40 DDAB CCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 12437146 VLRNMFYVXFXEAC-UHFFFAOYSA-N 319.409 1.604 0 40 DDAB O=C(NCC1CCN(C2CCSCC2)CC1)[C@H]1CCOC1 252527479 CQLQHIYCDPZZSB-AWEZNQCLSA-N 312.479 1.747 0 40 DDAB COc1cccc(CNC(=O)NCc2nnc3n2CCC3)c1 31030616 HLXLTHRFFGVJDA-UHFFFAOYSA-N 301.350 1.232 0 40 DDAB CC(C)=CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 4870747 FUACFGCNSADYRK-UHFFFAOYSA-N 322.386 1.784 0 40 DDAB Cc1nccc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n1 1888856644 PSQNSPVCAADWAO-UHFFFAOYSA-N 322.319 1.545 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nc3ccc(Cl)cc3o2)CCO1 1889104396 MHTYCKFSKFEVLI-CYBMUJFWSA-N 321.764 1.965 0 40 DDAB O=C(CSC1CCCC1)N1CCCN([C@@H]2CCOC2)CC1 1849053412 FZDNVUUSLMMINZ-CQSZACIVSA-N 312.479 1.985 0 40 DDAB CCN(CC)S(=O)(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 29079694 RGKTYRBWTKEDMU-GFCCVEGCSA-N 323.422 1.505 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCc1ccco1 40516627 MCHIPNCKGCEDJH-LBPRGKRZSA-N 314.407 1.143 0 40 DDAB Cn1nc([C@@H]2CCCCN2C(=O)CN2CCCCC2)cc1O 2037843789 JOYXOMLSGXJGAM-AWEZNQCLSA-N 306.410 1.665 0 40 DDAB CN1C[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)COCC1=O 2037984552 FMZMVMFRXJIREO-MRXNPFEDSA-N 306.337 1.147 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@H]2C[C@]21C(=O)N1CCCC1 2056224958 IXDGOBXJKUSYNO-WMLDXEAASA-N 306.406 1.417 0 40 DDAB O=C1CN(C(=O)CCCSc2nc3ccccc3[nH]2)CCN1 9378387 DRQXNALEMTWJOO-UHFFFAOYSA-N 318.402 1.394 0 40 DDAB O=S(=O)(Nc1ccc(Br)cn1)N1CCCCC1 5936588 QGAIGULGYCQYKX-UHFFFAOYSA-N 320.212 1.987 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 40093748 CPTNNTWYPFKCDO-ZDUSSCGKSA-N 319.471 1.057 0 40 DDAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)o1 40074760 PTXTWETTXDICGY-UHFFFAOYSA-N 324.358 1.587 0 40 DDAB COc1ccc(NC(=O)[C@H]2CCCO2)cc1NS(C)(=O)=O 30692469 SODWIYLUMCPADX-GFCCVEGCSA-N 314.363 1.184 0 40 DDAB Cc1cnc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cn1 31193371 OGUQTNSVPRIJLY-UHFFFAOYSA-N 302.378 1.260 0 40 DDAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)O)cc2oc1=O 11866800 IOZTWTWYWNPNFR-JTQLQIEISA-N 319.313 1.378 0 40 DDAB biogenic COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C 422013 UQPVKFKRGXANCZ-UHFFFAOYSA-N 322.390 1.701 0 40 DDAB Cc1nc(C(=O)NC[C@H](C)N(C)C)nn1-c1ccc(F)cc1 46272835 ZNYJXOFNGBYCKX-JTQLQIEISA-N 305.357 1.395 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 69740721 SVCQRUWGRVJXOG-AWEZNQCLSA-N 324.388 1.951 0 40 DDAB C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(N)=O 69704118 ODLUXNUCIJMSCR-SNVBAGLBSA-N 301.371 1.836 0 40 DDAB COc1cc([C@H]2NC3(CCCC3)C(=O)N2C)cc2c1OCCO2 69774631 MOBSVOHSKNVVFP-HNNXBMFYSA-N 318.373 1.839 0 40 DDAB COC(=O)[C@H]1C[C@@H](C(=O)OC)c2nc3ccc(C)cc3nc21 1618399 OCLJDSQPMQWWNY-ZJUUUORDSA-N 300.314 1.855 0 40 DDAB CN(C)[C@H](CNc1ccc2nnnn2n1)c1ccc(F)cc1 52486083 HTESDJVIMWBUSM-GFCCVEGCSA-N 301.329 1.373 0 40 DDAB CCOCCCNC(=O)c1cn(CC)c2nc(C)ccc2c1=O 3017603 PLUHUHXMHSFQOZ-UHFFFAOYSA-N 317.389 1.881 0 40 DDAB O=C(CNC(=O)NCc1ccccc1)NC(C1CC1)C1CC1 32904236 URBAEQBFIFEMDF-UHFFFAOYSA-N 301.390 1.791 0 40 DDAB CCO[C@@]1(O)OC(=O)[C@H]2[C@@H](C)Cc3cc(OC)c(OC)cc3[C@@H]21 4776239 FIGVLYRTCBNUIO-LJNRYRTLSA-N 322.357 1.835 0 40 DDAB CCOC(=O)C1=C2SCC(=O)N2c2ccccc2NC1=N 6758105 JUSJTCFCYXBPNL-UHFFFAOYSA-N 303.343 1.944 0 40 DDAB C[C@H](OC(=O)CCc1ncc(-c2ccccc2F)o1)C(N)=O 12273535 MJWZFRXFHGOUHC-VIFPVBQESA-N 306.293 1.830 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2F)CC1 23053310 ICEIUCWAVODWQG-UHFFFAOYSA-N 315.370 1.371 0 40 DDAB Cc1ccccc1OCCNC(=O)c1ccnc(-n2cncn2)c1 54119042 WHXDCJQTEBDEOS-UHFFFAOYSA-N 323.356 1.780 0 40 DDAB C[C@@H](NC(=O)CS(=O)(=O)c1ccccn1)c1ccc(F)cc1 47620193 AMMSZXDAGKEWFE-LLVKDONJSA-N 322.361 1.872 0 40 DDAB CC(C)C[C@@H](CNc1cc(Cl)nc(N)n1)N1CCOCC1 24056978 ZWVBUJNAQRRARS-NSHDSACASA-N 313.833 1.871 0 40 DDAB COc1ccccc1COC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 105699659 YEEGJUNIXGTMJM-IIAWOOMASA-N 309.406 1.682 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100648946 STPIRLCPRPCNDK-UPXOXWNWSA-N 301.298 1.521 0 40 DDAB Cc1cc(C)cc(OCCNC(=O)CN2CSCC2=O)c1 55526565 TVGPNCMWYWHKGY-UHFFFAOYSA-N 308.403 1.331 0 40 DDAB CNC(=O)CN1CCC(NC(=O)c2c(C)noc2C(C)C)CC1 25231588 URHWWAQPPVMIKO-UHFFFAOYSA-N 322.409 1.047 0 40 DDAB C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)C[C@@H](C)O1 25412080 STHWLXAACJVCKD-GASCZTMLSA-N 302.418 1.944 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)c(C)c1 100377030 GLOJGCJSTYQMNZ-KJWYOANISA-N 313.353 1.499 0 40 DDAB CC(C)[C@H](c1nc(-c2ccncc2)no1)N1CCCS1(=O)=O 96489300 IQYZTNLBWVTMML-GFCCVEGCSA-N 322.390 1.864 0 40 DDAB CCCn1cc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)ccc1=O 57143485 GCRPOWGHOGWELF-CYBMUJFWSA-N 305.378 1.455 0 40 DDAB Cn1cc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cn1 52643707 WMOLWWPAKJBMNI-JTQLQIEISA-N 320.784 1.719 0 40 DDAB Cc1cccc(OC[C@H](O)CNC(=O)c2ccc(C)nc2)c1 57441065 IIBDFNZNUUFIKV-OAHLLOKOSA-N 300.358 1.868 0 40 DDAB CN(C(=O)NCCCc1nc2ccccc2[nH]1)[C@H]1CCOC1 119339862 RGQAKEWMDUYEJL-LBPRGKRZSA-N 302.378 1.926 0 40 DDAB CC(=O)N1CCN(CC(=O)N[C@H](C)CCc2ccccc2)CC1 12601379 FQMOQRLOQVQUFH-OAHLLOKOSA-N 317.433 1.288 0 40 DDAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)NC(N)=O)c1C 58157953 OFRSPRDWEJCZSU-SECBINFHSA-N 308.338 1.559 0 40 DDAB COCC(=O)NC1CCN([C@H](C)c2nc(C(C)C)no2)CC1 48288785 XOUHIGKDOSSDMZ-LLVKDONJSA-N 310.398 1.481 0 40 DDAB COC(=O)c1ccc(OC(C)C)c(N[C@@H](C)C(=O)NC(N)=O)c1 58268088 GCLBSUFYLAUPLR-VIFPVBQESA-N 323.349 1.256 0 40 DDAB CN(C)c1nc(N)nc(COc2cccc(-n3cccn3)c2)n1 72291797 HBXKYRDJVDWAIU-UHFFFAOYSA-N 311.349 1.285 0 40 DDAB Cc1nnc(NC(=O)N[C@@H]2CCCc3c2cnn3CCO)s1 44971993 KBICVQINTWIUDS-SNVBAGLBSA-N 322.394 1.234 0 40 DDAB C[C@@H]1CN(C(=O)NCCc2cn3ccccc3n2)C[C@@H](C)O1 44914628 JDNRSPHMZYKNMV-CHWSQXEVSA-N 302.378 1.696 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 44966460 CFQVEKRLHPRNBV-HIFRSBDPSA-N 317.389 1.820 0 40 DDAB COC(=O)NCC(=O)N1CCC(c2nc3ccccc3o2)CC1 58407141 WFURNXWXHHCJNA-UHFFFAOYSA-N 317.345 1.890 0 40 DDAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)n1 27976138 STKSZNIMWGMKAW-LBPRGKRZSA-N 324.344 1.772 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 10746274 XRBXXSFLGXXKFI-VIFPVBQESA-N 323.201 1.632 0 40 DDAB Cn1cc([C@@H](C(=O)O)N2CCOCC2)c2cc(C(=O)O)ccc21 36364863 OISZTUGANWABRW-AWEZNQCLSA-N 318.329 1.334 0 40 DDAB CCOCCCC(=O)NCc1ccnc(N2CCN(C)CC2)c1 48329037 GADFGMNWSUOIPF-UHFFFAOYSA-N 320.437 1.266 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)n1 72277962 AQBBWDTXHJAPBE-GJZGRUSLSA-N 305.426 1.543 0 40 DDAB Cc1cc(C(F)(F)F)nc(N[C@@H](C)CN2CCOCC2)n1 36613498 ULWOEVRNMWPYBY-JTQLQIEISA-N 304.316 1.936 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)NCCCn2cncn2)on1 45647917 QLUQIHSYAKTUCV-LBPRGKRZSA-N 304.354 1.511 0 40 DDAB CC(C)CNC(=O)CSc1nccc(N2CCN(C)CC2)n1 11692450 AKYOWHVLXQJQFL-UHFFFAOYSA-N 323.466 1.093 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(C)=O 3455872 TWUUXGBKZRWUTD-CYBMUJFWSA-N 306.362 1.201 0 40 DDAB O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1 3427929 BECGZTFUSDCTGR-UHFFFAOYSA-N 318.373 1.865 0 40 DDAB CCOc1cc(CNCCNCCO)cc(Cl)c1OCC 22076035 IZWGFYXXJSQIBV-UHFFFAOYSA-N 316.829 1.809 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 69877633 XBNMCIRQTYSDCP-APHBMKBZSA-N 306.381 1.454 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 3525559 UNESZBYQWKBXNK-ZIAGYGMSSA-N 321.373 1.553 0 40 DDAB CCCc1noc(CSc2nnnn2C2CCOCC2)n1 69976136 CYZUNWSCBSCYPS-UHFFFAOYSA-N 310.383 1.652 0 40 DDAB Cc1cc(C)cc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c1 12997751 KXFRUOBIBRUTFE-UHFFFAOYSA-N 315.417 1.796 0 40 DDAB Cc1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)s1 48671716 JUCRBXODBBNDRK-GZMMTYOYSA-N 316.448 1.639 0 40 DDAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O 6349357 UHIHTXYPLNHRNY-CQSZACIVSA-N 305.378 1.627 0 40 DDAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 65412700 BBFAJKDMNAHYPI-SECBINFHSA-N 301.268 1.739 0 40 DDAB Cc1c(CN(C)C(=O)c2n[nH]cc2Br)cnn1C 6413284 RHJCGSVNFLAWLG-UHFFFAOYSA-N 312.171 1.486 0 40 DDAB COC(=O)c1ccc(COC(=O)c2ccc(C(N)=O)cc2)cc1 14140943 PDGYPGATQCOMNM-UHFFFAOYSA-N 313.309 1.929 0 40 DDAB Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 9088471 UZSAQMITNLOFBA-SNVBAGLBSA-N 323.715 1.901 0 40 DDAB COC(=O)CCNC(=O)CCCN(C)C(=O)OC(C)(C)C 67145063 GFDXWDWKCDYHQW-UHFFFAOYSA-N 302.371 1.313 0 40 DDAB CCCNC(=O)c1nsc(C(=O)NC2CCCCC2)c1N 67334933 OYBZUVCRGUNUFI-UHFFFAOYSA-N 310.423 1.928 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1Cc3ccccc3S1)CC2 97198934 JSGRPKIHDKGVOF-JSGCOSHPSA-N 314.414 1.735 0 40 DDAB CC[C@H](C(=O)Nc1ccccn1)n1c(=O)[nH]c2ccccc2c1=O 9187612 WDQDFAWTXSMDFS-CYBMUJFWSA-N 324.340 1.675 0 40 DDAB CN1CCN(C(=S)NC(=O)/C=C/c2ccc(F)cc2)CC1 19537088 INTIGYIYXBTCSV-QPJJXVBHSA-N 307.394 1.487 0 40 DDAB Cc1ccc(C(=O)Nc2ccccc2O)cc1S(N)(=O)=O 9479158 UFNJRXMNLMOCHJ-UHFFFAOYSA-N 306.343 1.600 0 40 DDAB Cc1cnn(C[C@H]2CCCN2[C@@H](C)C(=O)Nc2cc(C)on2)c1 70040663 CPIYKAAUDYHECG-UONOGXRCSA-N 317.393 1.980 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2Cn2cccn2)cs1 71866493 WDDKYFUTDQZLMU-NSHDSACASA-N 319.390 1.603 0 40 DDAB CC(C)COCCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O 71890275 BWQHGAZNFPHMRJ-HNNXBMFYSA-N 319.405 1.764 0 40 DDAB NC(=O)C1CCN(C(=O)c2cccn2Cc2cccs2)CC1 71819485 XTWHBEVANGJJFD-UHFFFAOYSA-N 317.414 1.935 0 40 DDAB CN(CC(N)=O)C(=O)CCc1ccc(Br)cc1F 71841945 HZUDPCOJAXNCEP-UHFFFAOYSA-N 317.158 1.465 0 40 DDAB COc1cc2c(nn1)CCN(Cc1csc(NC(C)=O)n1)C2 83815605 XWSXQSWFQQQNBE-UHFFFAOYSA-N 319.390 1.458 0 40 DDAB CN(Cc1cccc(C(N)=O)c1)c1ncc(C(N)=O)cc1Cl 83864124 NKDKWFCMSAAXAK-UHFFFAOYSA-N 318.764 1.569 0 40 DDAB O=C(NCCCn1ccnc1)Nc1nc2ccc(Cl)cn2n1 97376548 ILTWUNWZJLHPIV-UHFFFAOYSA-N 319.756 1.791 0 40 DDAB O=c1[nH]c(N2CC[C@@H](CN3CCOCC3)C2)nc2ccccc12 78404481 XODNWSIPCZHDEV-ZDUSSCGKSA-N 314.389 1.082 0 40 DDAB CC[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1N1CCOCC1 84735837 FBECSAGQXJNZNW-UKRRQHHQSA-N 323.462 1.645 0 40 DDAB CC(C)[C@@H](N)CNS(=O)(=O)Cc1cccc2cccnc12 95432100 QXSVUFWMUGYVDU-AWEZNQCLSA-N 307.419 1.638 0 40 DDAB O=C(NCCc1csc(N2CCCC2)n1)Nc1cn[nH]c1 75139449 VUQIEJGKAQMJCE-UHFFFAOYSA-N 306.395 1.831 0 40 DDAB C[C@@H](CS(=O)(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1 89904102 QGRNFNZWQHGILX-UONOGXRCSA-N 324.446 1.707 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)C(=O)N1CCC(C)CC1 89948627 BFNYVNLERCNOQT-USXIJHARSA-N 323.481 1.870 0 40 DDAB O=C([C@@H]1CCOC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306142841 XMDLJVXHFWHVFX-KGLIPLIRSA-N 318.373 1.114 0 40 DDAB COc1cc(CNC[C@H]2CCN(C3CC3)C2)cc2c1OCO2 42229093 LFZLKXOKWPUIRR-GFCCVEGCSA-N 304.390 1.998 0 40 DDAB COCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 73611470 NSPSQXAHIIXGHH-UHFFFAOYSA-N 324.465 1.907 0 40 DDAB COc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2C 55219788 ALDLIVJBCFMRNV-UHFFFAOYSA-N 301.390 1.883 0 40 DDAB CCOC[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 76981395 QPRAIVOYSGNOCS-JKSUJKDBSA-N 309.454 1.929 0 40 DDAB Cc1ccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc2n1 568161391 SWXPHAIPNACJIR-LLVKDONJSA-N 305.403 1.809 0 40 DDAB Cc1ccccc1OCC(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 238874781 NTTXOXCTPSHYOJ-FVQBIDKESA-N 305.374 1.827 0 40 DDAB O=C(O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)o1 180126843 MFMMMQZTIAQXAV-JTQLQIEISA-N 316.317 1.167 0 40 DDAB O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1C=CCCC1 567823543 PYHDXQORIUTJFO-CYBMUJFWSA-N 301.394 1.853 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)ccc1F 77937663 RRXBQOOFPPCZRG-ZANVPECISA-N 312.316 1.571 0 40 DDAB CCn1cc(NC(=O)c2cc(NC(=O)C3CC3)n(C)n2)cn1 46089105 OQDCMRIDEGUNJI-UHFFFAOYSA-N 302.338 1.237 0 40 DDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)Cc2cccs2)n[nH]1 225554110 OLVDUFYOBKIBKZ-CYBMUJFWSA-N 318.402 1.866 0 40 DDAB O=C(Cc1ccc(F)c(Br)c1)N[C@@H]1CCCNC1 195542735 LXDDAVHUVUTKFY-SNVBAGLBSA-N 315.186 1.999 0 40 DDAB Cn1ncnc1S(=O)(=O)Cc1cc(-c2cccs2)on1 191061806 SPGNRHZHYTZOJL-UHFFFAOYSA-N 310.360 1.506 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1cccnc1)C2 96060718 JRJSZPLOPCUBKZ-OAHLLOKOSA-N 313.405 1.736 0 40 DDAB O=C(c1nnn(Cc2ccccc2)c1Cl)N1CCOCC1 96183299 BDUCDSARRTURKF-UHFFFAOYSA-N 306.753 1.452 0 40 DDAB CCN1C[C@H]2[C@H](CC(=O)NCCc3ccccn3)COC[C@H]2C1 96040873 RMCSCJOLYXHJSG-INMHGKMJSA-N 317.433 1.345 0 40 DDAB O=C(O)C1(c2ccc(I)cc2)COC1 95630846 VYZILXUEABUOEY-UHFFFAOYSA-N 304.083 1.644 0 40 DDAB Cc1cc(C(=O)N(C)Cc2ccsc2)ccc1S(N)(=O)=O 96413172 NGZZPWWUMNJLMN-UHFFFAOYSA-N 324.427 1.976 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@@H]12 96251871 BQTTZAZDUKQHSQ-AEFFLSMTSA-N 315.417 1.933 0 40 DDAB CCC[C@H](N)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 96481168 GRMBZLKORRSMFR-HNNXBMFYSA-N 303.406 1.489 0 40 DDAB Fc1ccc(OCc2nnnn2CC2CCOCC2)cc1F 333068523 UNQDRDNWIONUCR-UHFFFAOYSA-N 310.304 1.957 0 40 DDAB COCCN1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96070092 IDIMUHQFFULAPA-SJORKVTESA-N 305.422 1.046 0 40 DDAB COCCNC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 242595023 CIWKZTRWXZHSBJ-UHFFFAOYSA-N 304.390 1.230 0 40 DDAB CC(=O)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 257238952 HNFRZZZLRSKNCG-SECBINFHSA-N 313.283 1.869 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)cc1Cl 253576883 WJVOVYIIUWNACC-IATRGZMQSA-N 319.744 1.454 0 40 DDAB CC(C)N1C[C@@H]2COCCN2C2(CN(C(=O)C(C)(C)C)C2)C1 604381034 CDKVEDZCDXTEFU-CQSZACIVSA-N 309.454 1.038 0 40 DDAB biogenic,in-vitro CN(C)Cc1cnc([C@@H]2CN(C(=O)c3ccccn3)CCO2)[nH]1 257289666 PZRJYGDYXUJSAE-AWEZNQCLSA-N 315.377 1.080 0 40 DDAB CN(C(=O)c1cccc(-c2cnc(N)nc2)n1)C1CCOCC1 257264315 LTWHGIQEXYJFJE-UHFFFAOYSA-N 313.361 1.372 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257274218 NKAPWXOZLUJUBY-GFCCVEGCSA-N 316.361 1.905 0 40 DDAB Cc1cc(C[C@H]2COCCN(C(=O)c3ccccn3)C2)ncn1 257304443 SLQWATCFHFQQMT-CQSZACIVSA-N 312.373 1.511 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)n1 257333517 YBWUVFCFYWKURB-HNNXBMFYSA-N 313.405 1.909 0 40 DDAB COc1ncc(CN2CCO[C@@H](c3cccc(N)n3)C2)cn1 257242700 IDSUANNQHMXYHD-CYBMUJFWSA-N 301.350 1.036 0 40 DDAB CC(=O)N1CCC(c2nc(C)cc(N3CCOC3=O)n2)CC1 257235295 GXFPHYRTPURWQA-UHFFFAOYSA-N 304.350 1.468 0 40 DDAB Cc1ccc(O)c(NC(=O)Cc2nnc(O)c3ccccc23)n1 544346903 SHBFFXPQEBUYLO-UHFFFAOYSA-N 310.313 1.926 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)c2cc(C)no2)O1 252509719 YTYHCZWQDLFZIL-UZWSLXQKSA-N 308.334 1.307 0 40 DDAB COCC(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575405828 VEWHMURTORSVFO-AWEZNQCLSA-N 306.362 1.005 0 40 DDAB Cc1nccc(N2CCO[C@](CO)(Cc3ccccc3C)C2)n1 585276115 LYXZFWLMAFOLHH-GOSISDBHSA-N 313.401 1.904 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc3oc(C)cc3c2)C[C@H]1CC(N)=O 585278997 RQDYKFPZYVBENY-HIFRSBDPSA-N 316.357 1.704 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(Cc2cnn(C)c2)C1 585274810 OFJCIJBMBKVYEJ-KRWDZBQOSA-N 301.390 1.744 0 40 DDAB Cc1nnccc1NC(=O)N1CC(=O)NC[C@H]1c1ccccc1 930816653 NPYAJHUNTGKJNX-AWEZNQCLSA-N 311.345 1.490 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@H](C)c2cc(C)oc2C)CC1 69901696 WRYAIKWWQHPQJC-UKRRQHHQSA-N 308.422 1.915 0 40 DDAB C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2 12345630 YJBMESSSMLPELD-OQPBUACISA-N 321.764 1.171 0 40 DDAB CCn1c(S)nnc1CNS(=O)(=O)c1ccc(C)cc1 13483148 UTMSXNNEGVYODD-UHFFFAOYSA-N 312.420 1.374 0 40 DDAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)C2CC2)C1 19020152 YDIAOUCDSOJSEK-GOEBONIOSA-N 301.390 1.907 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nn1 225425983 QYLHAKABFJMUOO-LBPRGKRZSA-N 314.345 1.944 0 40 DDAB CN1C[C@@H]2CC(NC(=O)c3n[nH]c4ccccc34)C[C@H](C1)N2C 22936647 MHNNVDILNTUWNS-YHWZYXNKSA-N 313.405 1.070 0 40 DDAB in-vitro CC(=O)c1cccc(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c1 25299799 KIMBCECZFQNZFV-HNNXBMFYSA-N 322.405 1.085 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 239579017 DDSRRHADHCBSDA-IOASZLSFSA-N 319.357 1.411 0 40 DDAB CN1C(=O)c2ccccc2[C@@H](C(=O)NCCO)[C@@H]1c1ccccc1 1565523634 VJEOSMCIIDQBFW-SJORKVTESA-N 324.380 1.706 0 40 DDAB CC(C)OCCCN[C@@H](CC(=O)Nc1ccc(O)cc1)C(=O)O 4939548 SXETUFMGQPVCFH-AWEZNQCLSA-N 324.377 1.579 0 40 DDAB Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)nc(C)n1 2086889123 CCZUTVBZKDPMRQ-CYBMUJFWSA-N 324.450 1.486 0 40 DDAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)CC)C(=O)[C@H]13)O2 2420633 RIGCPESFDQZOOA-MNLSVMLLSA-N 307.390 1.910 0 40 DDAB O=C1CN(C(=O)c2cccnc2SCC(F)(F)F)CCN1 40510377 XQJWUGSKUHAKNR-UHFFFAOYSA-N 319.308 1.308 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1cnn(Cc2ccccc2)c1C 40554158 XCDOOEHIIDPYDH-UHFFFAOYSA-N 315.373 1.921 0 40 DDAB NC(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCCO3 101152523 UXJIJQUPVPEABO-UHFFFAOYSA-N 315.251 1.702 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)Nc2cc(-c3ccccc3)n[nH]2)n1 20616601 JHXIJPHEEDEGPF-UHFFFAOYSA-N 311.301 1.761 0 40 DDAB CN1N=C(C(=O)Oc2ccc(NC(=O)C3CC3)cc2)CCC1=O 51708180 MXFMBMHTDIJFBS-UHFFFAOYSA-N 315.329 1.549 0 40 DDAB Cc1ccc2nonc2c1S(=O)(=O)NCc1ccccn1 32579220 LDBATKWWMAHTCU-UHFFFAOYSA-N 304.331 1.405 0 40 DDAB CCOc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OC 574747 TTWFZOXBRNWWBZ-UHFFFAOYSA-N 322.430 1.967 0 40 DDAB NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102186278 WKSUMYCKNVCUCI-ACXUVZMJSA-N 316.195 1.749 0 40 DDAB Cc1ccc(Cl)cc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 11990882 PYMMSXBNPRLNLF-JTQLQIEISA-N 323.823 1.577 0 40 DDAB CC(C)n1cnc(S(=O)(=O)Nc2nc3ccccn3n2)c1 97164252 BQPSOVOKPPQYSH-UHFFFAOYSA-N 306.351 1.308 0 40 DDAB C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 32777724 HZEVAEKEMHTYAA-HNNXBMFYSA-N 323.462 1.706 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCCc1c[nH]c2ccccc12 32747801 NKZYBUPKOUIHMT-UHFFFAOYSA-N 313.357 1.366 0 40 DDAB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 2458385 PUBFKRMZYRISMK-JBLDHEPKSA-N 320.242 1.636 0 40 DDAB CC1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 3455781 VMWNVNDGSUPYLM-UHFFFAOYSA-N 311.407 1.004 0 40 DDAB CCOC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 8739690 LNRFAALJQRLBKQ-UHFFFAOYSA-N 308.359 1.193 0 40 DDAB O=C(NC[C@@H]1CCOC1)c1ccc(=O)n(Cc2ccccc2)n1 41370506 KMGYMWMRKUUHMJ-AWEZNQCLSA-N 313.357 1.058 0 40 DDAB CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 46939705 OZECPDZCUVOQFL-QGZVFWFLSA-N 317.433 1.942 0 40 DDAB O=C(O)CCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 2809742 CKYJBPPKLFBHSJ-UHFFFAOYSA-N 310.781 1.849 0 40 DDAB COc1cc(NC(=O)CCNC(C)=O)c(OC)cc1Cl 22374941 INTYBGKGSSWUIZ-UHFFFAOYSA-N 300.742 1.822 0 40 DDAB CN1C(=O)NC(=O)[C@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9111326 QGVXITIWCSMFOK-GOSISDBHSA-N 323.352 1.527 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=COCCO1 9315739 WCGQZQUFEHLXQG-UHFFFAOYSA-N 323.301 1.317 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)/N=c1/[nH]nc(-c2ccccn2)[nH]1 47343297 ZNWUJXDBFOKPSW-UHFFFAOYSA-N 318.340 1.951 0 40 DDAB CC[C@H](NCc1cccnc1)c1cccc(S(N)(=O)=O)c1 97033720 WFFLDZULMPRSCQ-HNNXBMFYSA-N 305.403 1.970 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCCS(C)(=O)=O 72268660 OOSXFZYECWROTQ-ZIAGYGMSSA-N 316.467 1.287 0 40 DDAB NC(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 23699665 NZJZKBFGJUGAMI-UHFFFAOYSA-N 320.780 1.045 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(C)=O 1022395 MJIOLKUWTSRUCN-AWEZNQCLSA-N 318.329 1.803 0 40 DDAB C[C@H](NC(=O)N1CCCSCC1)[C@@H](C)N1CCOCC1 105298799 OVSCXWBETIUPNC-QWHCGFSZSA-N 301.456 1.244 0 40 DDAB CCN(CC(=O)NC(N)=O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106160296 GVLLYUCTJXZRLB-UKRRQHHQSA-N 318.421 1.339 0 40 DDAB O=S(=O)(NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1 28914348 JEAFYLHWXATHGK-LBPRGKRZSA-N 323.345 1.944 0 40 DDAB O=C(CN1CCSC1=O)NCc1ccnc(N2CCCC2)c1 26000626 CUIHNYBJFHRRPA-UHFFFAOYSA-N 320.418 1.467 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(-n2cncn2)nc1)[C@H]1CCCO1 48133276 DBAJMZVNSDYAKL-ZYHUDNBSSA-N 302.338 1.351 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355056 UERQTPXRCRCUNX-WFASDCNBSA-N 308.353 1.498 0 40 DDAB C[C@H](CNC(=O)c1cn(-c2ccccc2)nn1)Cn1cccn1 58264117 ZRDKLWVTOOICRF-CYBMUJFWSA-N 310.361 1.530 0 40 DDAB COCCN1CCN(Cc2nc(-c3cccs3)no2)CC1 58231771 SFWXPNPVWUMTCX-UHFFFAOYSA-N 308.407 1.562 0 40 DDAB CCn1ccc(=O)nc1SCCC(=O)Nc1cc(C)on1 58295144 XIWMQBNLZUALMI-UHFFFAOYSA-N 308.363 1.681 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NCc2nccs2)cn1 44972768 PVGGPMAKNMHMOO-UHFFFAOYSA-N 312.376 1.263 0 40 DDAB CN(C)C1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 44935010 IGXRUDQKHGJJLK-UHFFFAOYSA-N 304.316 1.455 0 40 DDAB COc1cc(F)c(S(=O)(=O)N[C@@H](C)C2CC2)cc1OC 27976957 WZGBAMFSWMISPS-QMMMGPOBSA-N 303.355 1.920 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCCc2cn3ccccc3n2)C1 27968749 GHORYODRUDYYHB-ZDUSSCGKSA-N 322.434 1.443 0 40 DDAB O=C(NC1CCN(CCc2ccccc2)CC1)c1cnccn1 27939077 SLFPVJWNKSUQHI-UHFFFAOYSA-N 310.401 1.914 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)O 3354659 CYRGRDQGNXFMRJ-AWEZNQCLSA-N 308.378 1.711 0 40 DDAB CCc1ccccc1CNC(=O)NC[C@H]1CN(C)CCN1C 77575136 BMOHFNPJDCVIJJ-INIZCTEOSA-N 304.438 1.294 0 40 DDAB COc1cc(OC)c([C@H](CN)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 62712679 IUPYXDQHHMQQBS-SCRDCRAPSA-N 324.421 1.821 0 40 DDAB CCN(CC)CCNC(=O)[C@H](C)n1cc(Br)cn1 28224574 UCPLMPVQVJDVQX-JTQLQIEISA-N 317.231 1.665 0 40 DDAB O=C1Cc2ccccc2C(=O)N1c1ccccc1-n1cncn1 48355968 AFNSLOXSYYHLQZ-UHFFFAOYSA-N 304.309 1.997 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1 48302109 USJAZHIGDYSNOD-UHFFFAOYSA-N 319.386 1.262 0 40 DDAB O=C(NCCCn1cccn1)NC[C@@H](O)c1ccc(F)cc1F 48364783 FFEHTWNSCXHUIK-CQSZACIVSA-N 324.331 1.584 0 40 DDAB Cc1cccc(NC(=O)COC(=O)c2nccnc2N)c1C 3526149 GWCANOJZXCEKJH-UHFFFAOYSA-N 300.318 1.471 0 40 DDAB CC[C@H](OC)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 78814179 DLNLOQUNVHHAPR-KGLIPLIRSA-N 308.353 1.862 0 40 DDAB C[C@H](OC(=O)/C=C/c1cccc2ccccc12)C(=O)NC(N)=O 12926208 KJJZTESXTOPRBF-USKTWTLRSA-N 312.325 1.980 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](c3cccc(O)c3)[C@H]12 4027573 OYYQTTDHEHANDY-WTFGDDLMSA-N 304.350 1.074 0 40 DDAB biogenic Cc1nc(SCc2cc(=O)n(C)c(=O)n2C)nc(C)c1C 8988324 ATUJPRXDLFHRJX-UHFFFAOYSA-N 306.391 1.092 0 40 DDAB CC(C)[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC(N)=O 6178692 DXSHUBWDHSDXGV-JTQLQIEISA-N 319.390 1.783 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccnc3)ccc21 6197114 MLHKZJSIWZLXPJ-UHFFFAOYSA-N 319.342 1.005 0 40 DDAB CC1(C)COCCN1C(=O)CCn1cnc2sccc2c1=O 65493368 HHQBOTIMHJITPD-UHFFFAOYSA-N 321.402 1.486 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C(N)=O)c1ccccc1 65489820 VLRPRXZUBXTUGC-ZUZCIYMTSA-N 314.389 1.483 0 40 DDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2ccccn2)CC1 14075156 YUOCDRBJXMIEGO-AWEZNQCLSA-N 302.422 1.651 0 40 DDAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 14209764 KDRRTSMSDFLORT-UHFFFAOYSA-N 315.348 1.973 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1C 66579905 BPKGBWGPKMRMOJ-NSHDSACASA-N 313.375 1.239 0 40 DDAB O=C(COC(=O)Cc1cccs1)NC(=O)NCc1ccco1 5786524 BJDOUAPQZLMOKE-UHFFFAOYSA-N 322.342 1.453 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1C(N)=O 66965609 BOETZJOXZAWWJK-RYUDHWBXSA-N 302.330 1.699 0 40 DDAB CN(C)CCCNC[C@H](O)CO[C@H]1CCCc2ccccc21 6936236 DBAGOYSKCLDZMW-WMZOPIPTSA-N 306.450 1.983 0 40 DDAB CCc1ccc([C@H](C)NC[C@H]2CCCN2S(C)(=O)=O)o1 90799230 JJZXHTJGBFKMQV-NWDGAFQWSA-N 300.424 1.917 0 40 DDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCC2)C1=O 8158248 FWABBDQLXBIKLQ-INIZCTEOSA-N 301.346 1.675 0 40 DDAB C[C@@H](O)[C@@H]1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2 70018776 OHJXNYCJHFCMLT-OCCSQVGLSA-N 320.389 1.267 0 40 DDAB CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 69378404 YXBNNFDXIOZAHX-GFCCVEGCSA-N 322.386 1.761 0 40 DDAB C[C@H]1C[C@H](OC(=O)c2ccc(N3CCCC3=O)cc2)C(=O)O1 8392992 WMCFFFBZALHYTQ-GWCFXTLKSA-N 303.314 1.674 0 40 DDAB c1cnc(-n2ccnc2)c(CNC[C@H]2CNc3ccnn3C2)c1 69443048 KBURKWALLVSOQL-ZDUSSCGKSA-N 309.377 1.295 0 40 DDAB Cc1cc(S[C@H](C)C(=O)N2CCNC2=O)nc(C(C)C)n1 9388308 MYMFBQRNERVAFM-SNVBAGLBSA-N 308.407 1.941 0 40 DDAB CCc1noc([C@H](C)N2CCN(Cc3cc(C)on3)CC2)n1 69619870 BRONYTQVKWTJPP-LBPRGKRZSA-N 305.382 1.807 0 40 DDAB CC(=O)c1ccc(NC(=O)CCN2CCC(CO)CC2)cc1 69738999 SDZITSXAXAUYDX-UHFFFAOYSA-N 304.390 1.922 0 40 DDAB O[C@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccccc1F 69844113 AMJMQFPPDSMUAW-XJKSGUPXSA-N 304.369 1.863 0 40 DDAB O=C(c1ccn[nH]1)N1CCC[C@@H]1c1nnc2n1CCCCC2 71818798 LYPOVMODVWBIBM-GFCCVEGCSA-N 300.366 1.705 0 40 DDAB CC(C)[C@@H]1CCCN1C(=O)CCn1nnc2ccccc2c1=O 71829999 VAZAYGQKAIUIRG-HNNXBMFYSA-N 314.389 1.829 0 40 DDAB Cc1cc(C)n(-c2cncc(N[C@@H]3CCc4nc(C)nn4C3)n2)n1 71874910 KAYXETRFFGVEFA-CYBMUJFWSA-N 324.392 1.606 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)cn1 71830404 CHIHDHMDPPDVIE-IRXDYDNUSA-N 310.401 1.872 0 40 DDAB O=C(NCc1cc[nH]n1)NCc1nccn1CCc1ccccc1 83711483 NPBCAHPVWIBGIO-UHFFFAOYSA-N 324.388 1.848 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1CCc1cc(Cl)ncn1 72343975 DXKHIIULZYYKTO-LLVKDONJSA-N 303.815 1.877 0 40 DDAB COC(=O)[C@H](CNS(=O)(=O)N1CCCCC1)CC(C)C 71924114 XDFHQZMQDBJYSK-LBPRGKRZSA-N 306.428 1.142 0 40 DDAB C[C@H](c1ccncc1)N1CCO[C@H](CN(C)c2cccnn2)C1 84667393 CSHSTTRXTODSEV-GDBMZVCRSA-N 313.405 1.770 0 40 DDAB COC[C@@H](C)NC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 84633048 QNILULYMLIHPLG-MVIFTORASA-N 318.377 1.470 0 40 DDAB CC(C)c1cnc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1 84630743 ROPLKDPTDZASDG-INIZCTEOSA-N 320.393 1.703 0 40 DDAB CC[C@H](Oc1ccccc1C)C(=O)N(C)CCNC(=O)N(C)C 95456694 LHVVGPPIGZPOJA-AWEZNQCLSA-N 321.421 1.882 0 40 DDAB COc1ccc2c(c1)[C@H](CCn1c(C)cc(O)cc1=O)C(=O)N2 1547138348 IKEYRZUMXSUAAN-ZDUSSCGKSA-N 314.341 1.997 0 40 DDAB biogenic Cc1noc(C)c1S(=O)(=O)NCCOC1CCCCC1 95953217 WMZMXSPZIMPKFF-UHFFFAOYSA-N 302.396 1.919 0 40 DDAB Cc1noc([C@H](C)N2CCC(C(=O)Nc3ncccn3)CC2)n1 95952966 YLLRPGQYBWEQHM-JTQLQIEISA-N 316.365 1.580 0 40 DDAB Cc1cc(C)c(CNC(=O)N2C[C@@H](C)OC(C)(C)C2)c(=O)[nH]1 75124259 XZOOOXCBHGWPPS-GFCCVEGCSA-N 307.394 1.701 0 40 DDAB CC[C@H](C(=O)NCCCOCc1ccco1)N1CCCC1=O 75146585 CTCHMYKJAJCSHP-CQSZACIVSA-N 308.378 1.704 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NCCc3cc[nH]n3)CC2=O)cc1 1548790898 VHRJOUHOAUMIPL-CYBMUJFWSA-N 312.373 1.430 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 20200933 KVVPTNITOZQRNL-NWDGAFQWSA-N 308.378 1.101 0 40 DDAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 79474968 DCVAYOGNHYCMER-GFCCVEGCSA-N 319.386 1.004 0 40 DDAB COC(=O)c1cc(OCCCN2CCOCC2)c(OC)cc1N 38214119 DFJJAQKKQNIWOC-UHFFFAOYSA-N 324.377 1.165 0 40 DDAB O=c1c2ccsc2ncn1C[C@@H](O)COCc1ccco1 32907824 SOBCXAOPCXQBEZ-SNVBAGLBSA-N 306.343 1.629 0 40 DDAB O=C(Cc1ccccc1F)Nc1cc(N2CCOCC2)ncn1 75166251 UKQGZJKJLNWNQK-UHFFFAOYSA-N 316.336 1.634 0 40 DDAB C[C@H](N)C(=O)N1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1 79409903 FXLVZTYYXOTFTD-NSHDSACASA-N 311.426 1.724 0 40 DDAB COc1ccc(-c2nsc(N3CCNCC3)n2)cc1OC 216642694 WOCUOQJLXGJMEH-UHFFFAOYSA-N 306.391 1.632 0 40 DDAB C[C@@H](CN(C)C(=O)[C@H](C)Cc1cccc(F)c1)c1nnn[nH]1 183451537 UETSCTBLCPHHKM-MNOVXSKESA-N 305.357 1.780 0 40 DDAB O=C(C[C@H]1CCCO1)Nc1cnn(CC(=O)NC2CCCC2)c1 72345741 IZYBMWJMDLVULR-CQSZACIVSA-N 320.393 1.450 0 40 DDAB CN(CC(=O)N1CCCCC[C@@H]1c1ccco1)S(C)(=O)=O 76496494 HNZLCGMGSBFMNF-GFCCVEGCSA-N 314.407 1.615 0 40 DDAB COC(=O)c1ccc(N2CCC[C@@H]2Cn2ccnc2C)nn1 225597449 VOVIMQKXVFSLIT-GFCCVEGCSA-N 301.350 1.437 0 40 DDAB CC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)[C@H]1CCCO1 569336922 SWCWIGFCFCQRPL-ZYHUDNBSSA-N 314.363 1.016 0 40 DDAB C[C@H]1CCCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C1 61182708 MXVWJKMYRCGFLU-QMMMGPOBSA-N 304.177 1.809 0 40 DDAB Cc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 225191002 KAIYLPSMOUNFJY-ZDUSSCGKSA-N 312.435 1.922 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2cccc(C)c2)c1=O 225966844 ZMJMDPKZDATNAH-UHFFFAOYSA-N 300.314 1.920 0 40 DDAB Cn1nc(C(F)(F)F)cc1CNC(=O)[C@@H]1NCC12CCCC2 1579991914 BJKICMFKQKBGRZ-NSHDSACASA-N 316.327 1.587 0 40 DDAB NC[C@@H]1CCN(c2ccc(Br)cc2)S1(=O)=O 222542969 XKMUXTGRCJYRJQ-JTQLQIEISA-N 305.197 1.316 0 40 DDAB O=C(c1ccc[nH]1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187910 WPLFMJRBJMXGPT-AWEZNQCLSA-N 314.389 1.910 0 40 DDAB O=C(Nc1ccccc1)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 96145345 ARTJNSQWFXJJLG-DGCLKSJQSA-N 309.391 1.232 0 40 DDAB CC(C)CCn1cccc1CN1CC[C@H](NS(C)(=O)=O)C1 93531591 YFJJZORMYQDMHP-AWEZNQCLSA-N 313.467 1.658 0 40 DDAB COc1ncnc2c1CN([C@@H](C)c1nc(C3CC3)no1)CC2 97202093 JUVUDYYCMHPZKQ-VIFPVBQESA-N 301.350 1.865 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)CNc2cc(F)c(F)cc2F)C1 96500477 FBVAGLLMRILCJA-QMMMGPOBSA-N 315.295 1.240 0 40 DDAB CCC1=NS(=O)(=O)N(Cc2ccc(OC)cc2)C=C1C(=O)O 96516560 IBDPZMMULVNPEN-UHFFFAOYSA-N 324.358 1.575 0 40 DDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 96040331 RZVDYOMZEUIDDE-LSDHHAIUSA-N 317.451 1.634 0 40 DDAB COCCN1CCN(C[C@@H]2CCOC2)Cc2ccc(C)nc21 96199043 LWVVEEZNHPPXMD-HNNXBMFYSA-N 305.422 1.695 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(Cc2cnn(C)c2)CC12CCOCC2 96052093 JKZNHVNGVUDOJQ-HNNXBMFYSA-N 320.437 1.173 0 40 DDAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccnnc1)C2 96039361 YATAQQMAIUQXJY-GOEBONIOSA-N 305.378 1.524 0 40 DDAB CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCNCC2 96260463 JCLJVFJOVOBYTJ-UHFFFAOYSA-N 302.422 1.730 0 40 DDAB O=C1CNC(=O)N1CCN[C@H]1CCC[C@H]1c1ccc(F)cc1 97377097 NWOFOOLPDPMNJY-KBPBESRZSA-N 305.353 1.603 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@@H]1CCOC1 240067958 SFCBNLKTTLBOND-RAIGVLPGSA-N 309.341 1.458 0 40 DDAB CN(C[C@H]1CO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC1 248016486 DEUUHZDOQBKSCA-YOEHRIQHSA-N 302.422 1.946 0 40 DDAB CN(C)c1cc([C@H]2CCCN2CC2(O)CCOCC2)ccn1 257246210 ITBWEOMQUBRURN-OAHLLOKOSA-N 305.422 1.826 0 40 DDAB Cc1cc(C)n2ncc(CN3C[C@H](O)[C@]4(CCCO4)C3)c2n1 257274947 NNHXHAQMCHXYKE-HOCLYGCPSA-N 302.378 1.072 0 40 DDAB Cc1ncsc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257273914 NITJEPQCLCWYLO-ZDUSSCGKSA-N 320.418 1.781 0 40 DDAB Cn1nccc1-c1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1 257301415 RYJCACFJKYDKIJ-NSHDSACASA-N 321.406 1.016 0 40 DDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 96025292 JMAAPKTUFLTCSL-FROQITRMSA-N 315.416 1.106 0 40 DDAB CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1COC[C@@H](O)[C@H]1O 585290808 GOOWLVRBMXIPKG-HONMWMINSA-N 320.216 1.793 0 40 DDAB OC[C@@]1(Cc2ccc(F)cc2)CN(c2ncccn2)CCO1 585275571 GWCBLNZVLBAYGL-MRXNPFEDSA-N 303.337 1.426 0 40 DDAB Cn1cncc1CN1CCC[C@@](O)(COc2ccccc2)C1 585269096 JZERXQXRLGAUCB-KRWDZBQOSA-N 301.390 1.826 0 40 DDAB C[C@@H](NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)C1CC1 47979765 YWLRJTISDCULBW-DOMZBBRYSA-N 307.438 1.139 0 40 DDAB O=C(NCC(=O)N1CCCC1)c1cc(-c2cccc(F)c2)no1 48265376 FAEUBLZOOZEYPA-UHFFFAOYSA-N 317.320 1.833 0 40 DDAB CSc1nc2sc3c(c2c(=O)[nH]1)CCS(=O)(=O)C3 49068524 UKJAKKINWHLYHV-UHFFFAOYSA-N 302.402 1.177 0 40 DDAB Cc1c([C@H](C)NC(=O)[C@@H](C)NC(N)=O)cnn1-c1ccccc1 69563621 HNCULSQVTJNQPD-WDEREUQCSA-N 315.377 1.415 0 40 DDAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CC(=O)N(C)C2)cc1 69559751 LUSHVTYVALUTBF-OCCSQVGLSA-N 304.390 1.563 0 40 DDAB CC(C)CN(CCN(C)C)C(=O)c1cccc(-n2cnnn2)c1 71853856 RNPZLPVGLUDRJO-UHFFFAOYSA-N 316.409 1.322 0 40 DDAB O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCc2ccccc21 78787975 ZZUMKAYHUWJDMI-UHFFFAOYSA-N 323.400 1.560 0 40 DDAB Cc1nnc(CNC(=O)Nc2nc(C(F)(F)F)cs2)n1C 95957899 XGGKMEIFQAPIDM-UHFFFAOYSA-N 320.300 1.921 0 40 DDAB O=C(OCC(=O)N1CCCC1)[C@H]1CCCN1c1nccs1 97001543 DZYMIGWRVGAYDC-LLVKDONJSA-N 309.391 1.278 0 40 DDAB Cc1cc(C)c2cc(C)c3nn(CC(=O)N(C)C)c(=O)n3c2c1 12181218 CYDVXEAREIAHOM-UHFFFAOYSA-N 312.373 1.663 0 40 DDAB COc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1 12444469 QCFOPDMPLIRFIO-UHFFFAOYSA-N 300.362 1.391 0 40 DDAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cccnc1)CS2 12667177 VCIUBBYGUQTNCN-GFCCVEGCSA-N 316.386 1.300 0 40 DDAB NC(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12977799 HWKTUPRRFWKITO-UHFFFAOYSA-N 307.313 1.619 0 40 DDAB O=C(Cn1cccn1)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 19403010 ADWDMDVSZDZAHE-LBPRGKRZSA-N 324.344 1.344 0 40 DDAB CC(=O)Nc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc1 22917072 USRIDFJUKIIBDG-ROUUACIJSA-N 317.433 1.676 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1O 9478290 YJTZQOVODRXRLW-UHFFFAOYSA-N 314.297 1.489 0 40 DDAB O=C(c1ccoc1)N1CCN(C(=O)c2cncc(Cl)c2)CC1 1010340459 PBYJUKSZPMKERK-UHFFFAOYSA-N 319.748 1.926 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncncc4F)C[C@H]3C2)nn1 1888853788 QIFZPIUISWLTNC-VXGBXAGGSA-N 300.341 1.287 0 40 DDAB COc1ccnc(N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)n1 1889096881 WMOFBAHPIRHOHB-CYBMUJFWSA-N 314.393 1.689 0 40 DDAB Cc1ncsc1CCO[P@](=O)(O)OP(=O)(O)O 1772820626 UFUUMZHATZTWCW-UHFFFAOYSA-N 303.169 1.220 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2O1 1565546967 ICOJLTDPSJNJCJ-DRZSPHRISA-N 310.369 1.163 0 40 DDAB CNC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCCC1 15085148 CBAZNJKNHIJBTP-UHFFFAOYSA-N 308.812 1.546 0 40 DDAB O=C(NCc1nc(C2CCSCC2)no1)c1ccc[n+]([O-])c1 575615826 GMPMEBAVKGSIKV-UHFFFAOYSA-N 320.374 1.244 0 40 DDAB C[C@H]1CN(c2ccnc(C3CC3)n2)CCN1Cc1cnn(C)c1 2298029950 GTIBPPLHFWYMPZ-ZDUSSCGKSA-N 312.421 1.798 0 40 DDAB COC(=O)CSc1nc(O)c2cnn(-c3ccccc3)c2n1 18168867 FNPDWGFZUWKHOM-UHFFFAOYSA-N 316.342 1.786 0 40 DDAB CC1=Nn2c(nnc2-c2ccccc2)S[C@@H]1C(=O)N(C)C 40464590 GDFMJVQJPOLXIH-NSHDSACASA-N 301.375 1.732 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)NC[C@H]1CCCO1 40477774 ZZLHNRVZAIIUEW-MRXNPFEDSA-N 314.389 1.910 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)NCc1nnc2n1CCCCC2 40523499 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COC(=O)[C@H](CC(C)C)NC(=O)CCn1c(C)csc1=O 24725747 PMGAMQGUVANNOB-NSHDSACASA-N 314.407 1.312 0 40 DDAB COC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccco1 25064853 MQVGSWHSTIQBBB-UHFFFAOYSA-N 316.313 1.777 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)c3cccs3)CCO2)n1 76044686 RKSUBNXKOAUUCE-ONGXEEELSA-N 306.391 1.878 0 40 DDAB CCc1nc(C)c(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)s1 76045270 VCZOHKAZIGLCLD-SNVBAGLBSA-N 321.406 1.654 0 40 DDAB O=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 108356196 RSECQRLSIOPQKI-RBSFLKMASA-N 313.361 1.386 0 40 DDAB O=C(COC(=O)c1ccncc1)Nc1ccc2c(c1)OCO2 3248191 UNURHFWTKBWSDC-UHFFFAOYSA-N 300.270 1.606 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nccn2C)C1 3230436 XXWJYGRUVIFAMY-LLVKDONJSA-N 311.407 1.314 0 40 DDAB COc1ccc(C(C)(C)C(=O)N2CCCNCC2)cc1OC 57636408 HFKBSLJCCDIVJC-UHFFFAOYSA-N 306.406 1.803 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 10199688 QMWZJKFJSWPOAB-ABAIWWIYSA-N 321.421 1.818 0 40 DDAB CC(C)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)[nH]n1 58159237 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DDAB CN(C)c1ccnc(N2CCn3c(nnc3C(F)(F)F)C2)n1 301745158 GXKCFUXGWGECDB-UHFFFAOYSA-N 313.287 1.173 0 40 DDAB CC(C)(C)OC(=O)NCCn1c(O)nc2ncccc2c1=O 409421786 QWPVWTNQQAZAAP-UHFFFAOYSA-N 306.322 1.022 0 40 DDAB Cn1nc([C@@H]2CCCN(C[C@@H]3CCOC3)C2)c2nccnc21 72393852 FFROMVGROGKPKJ-QWHCGFSZSA-N 301.394 1.579 0 40 DDAB CC(C)c1nncn1CCNC(=O)[C@@H]1COc2ccccc21 73146066 OXZUHFMVOXVYML-CYBMUJFWSA-N 300.362 1.694 0 40 DDAB CCc1nccn1-c1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 72379160 YAWHTSGXQDZXGW-ZDUSSCGKSA-N 320.418 1.926 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)c1cc(Cl)nc(N(C)C)c1 79044082 FPSMBXPCJRFHAS-JTQLQIEISA-N 324.812 1.542 0 40 DDAB NC(=O)[C@H]1CC(C(=O)Nc2ccncc2)=NN1c1ccccc1 32726539 PVCOGNJRAQUOPO-CQSZACIVSA-N 309.329 1.140 0 40 DDAB O=C(OC[C@@H]1CCCO1)[C@@H]1CSCN1C(=O)c1ccccc1 78411178 SRPSTDSNXYYYHY-KBPBESRZSA-N 321.398 1.924 0 40 DDAB C[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccc(F)cc1F 75350062 ZSHSZVKQBWZUQI-VIFPVBQESA-N 305.346 1.619 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 72377662 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O=C1NC2(CCN(c3ncccn3)CC2)C[C@@H]1c1cccnc1 96199464 PXNRRSSKVNPYEL-CQSZACIVSA-N 309.373 1.514 0 40 DDAB CNC(=O)NC1CN(C(=O)C2CCC(C(F)(F)F)CC2)C1 331983112 NUSWDEBBENEYHP-UHFFFAOYSA-N 307.316 1.495 0 40 DDAB CN1C(=O)CCC[C@]12CCCN(C(=O)c1ccncc1F)C2 96229701 CSRAOBAJNOJWPC-MRXNPFEDSA-N 305.353 1.838 0 40 DDAB O=C([C@@H]1CCCO1)N1CCn2cc(CN3CCCC3)nc2C1 96067968 YLBFXWSYYNUFFT-AWEZNQCLSA-N 304.394 1.000 0 40 DDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(CC(C)C)CC2 96260321 HEMBGENYIFZBAV-UHFFFAOYSA-N 304.438 1.564 0 40 DDAB CO[C@@H]1CCN(C(=O)COc2ccccc2C)[C@H]2CCO[C@@H]21 96209741 USAZWSRQEALJAB-LXZKKBNFSA-N 305.374 1.779 0 40 DDAB O=C(O)[C@@H]1C[C@@H](N2CCOCC2)CCN1C(=O)c1cccs1 96069085 LIHPJFHCKHAECA-RYUDHWBXSA-N 324.402 1.138 0 40 DDAB COC(=O)CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192915 DXEFPUGKXVVHIF-AWEZNQCLSA-N 310.737 1.512 0 40 DDAB NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl 96428521 YUYSJDQESCXFQR-SCZZXKLOSA-N 320.773 1.411 0 40 DDAB COCCN1CCO[C@@H]2CN(Cc3ccccc3OC)C[C@@H]2C1 96107982 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303.362 1.301 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 257278038 OAMUYRVDTWFGRH-CYBMUJFWSA-N 303.366 1.709 0 40 DDAB Cc1cccc(N2CCC[C@@H](NS(=O)(=O)N3CCCC3)C2)n1 257233440 GPGKISPDOAXMRN-CQSZACIVSA-N 324.450 1.289 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)COC1CCNCC1 261757300 PLGDZTYPXXPFIP-CQSZACIVSA-N 320.389 1.053 0 40 DDAB O=C(c1cc2c(nc1O)CCCCC2)N1CC[C@](F)(C(=O)O)C1 262864850 WZPSHUMJMPSHOA-MRXNPFEDSA-N 322.336 1.695 0 40 DDAB Cc1cc(C(=O)NCCn2ccc3ccn(C)c3c2=O)no1 575414879 MXTDBZGEPNGOSO-UHFFFAOYSA-N 300.318 1.066 0 40 DDAB CCCC(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575406012 WPXHPQBFDXDXKA-CQSZACIVSA-N 324.421 1.186 0 40 DDAB Cc1cccc2nc(CNC(=O)N3CC(=O)N(C4CC4)C3)[nH]c12 582705908 IQGYDQYOHIRYPG-UHFFFAOYSA-N 313.361 1.345 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)n(C)n1 70038619 DVQLRCOGDUQNCZ-ZDUSSCGKSA-N 302.382 1.238 0 40 DDAB O=C([C@H]1CCCN(c2nnc(C3CC3)s2)C1)N1CCOCC1 301674795 GXWBKWVQZWPBSX-LBPRGKRZSA-N 322.434 1.491 0 40 DDAB CN(Cc1nnsc1Cl)C1CCN(S(C)(=O)=O)CC1 96468602 UAKFMYPITUUWNQ-UHFFFAOYSA-N 324.859 1.047 0 40 DDAB NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583407 LRUHQIYSLAFVEY-UHFFFAOYSA-N 316.382 1.927 0 40 DDAB CCN(C(=O)CCNc1nc(C)cc(C)n1)C1CCN(C)CC1 19656436 LLANPPQSLRZUMZ-UHFFFAOYSA-N 319.453 1.838 0 40 DDAB CCc1ccccc1N1C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C1=O 19720202 NDGHKFVGMXQVJA-ZYHUDNBSSA-N 322.386 1.026 0 40 DDAB O=C([C@H](O)[C@H](O)/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 253397912 GFAFRFYCGGHOIB-LNRYFFFSSA-N 319.357 1.163 0 40 DDAB biogenic,in-vitro Cc1cnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)nc1 1888844561 HYEKIGARMTYONE-CYBMUJFWSA-N 306.435 1.577 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(F)(F)F)C1 27350592 FRUALRSAJPAVRL-DTWKUNHWSA-N 318.347 1.855 0 40 DDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1=O 1565542990 SPNPNNHXCITLKW-RDTXWAMCSA-N 324.384 1.498 0 40 DDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)CC1(O)CCC1 1565555603 LCORKQMFRLXFOI-LBPRGKRZSA-N 319.405 1.183 0 40 DDAB COCCn1/c(=N/C(C)=O)sc2cc(NC(C)=O)ccc21 100873042 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COc1cc(CN[C@H](C(N)=O)c2ccccc2)cc2c1OCO2 51187720 KUTDZYADQJCHPT-HNNXBMFYSA-N 314.341 1.740 0 40 DDAB CCOc1ccc(S(=O)(=O)c2c[nH]c(=S)[nH]c2=O)cc1 20849163 PKNNDBLEISJTSC-UHFFFAOYSA-N 312.372 1.664 0 40 DDAB COC(=O)CCN(CC(=O)N[C@H](C)C1CC1)Cc1ccccc1 69519173 WQVSDOVIRSYIQE-CQSZACIVSA-N 318.417 1.966 0 40 DDAB CN1CCN(c2nc(-c3ccccc3)nc(-n3ccnc3)n2)CC1 108836 PBLKODXHEUYMSH-UHFFFAOYSA-N 321.388 1.476 0 40 DDAB O=C(COCC1CC1)NS(=O)(=O)c1cccc2cnccc12 69595573 OULPRXVPBGEDQF-UHFFFAOYSA-N 320.370 1.466 0 40 DDAB COc1ccccc1OCC(=O)N1CCCC[C@H]1C1OCCO1 69517114 OPEYKAPPORKMSG-ZDUSSCGKSA-N 321.373 1.828 0 40 DDAB CN1CC(=O)N(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1=O 69561911 QQXPQZFBFXKOIT-SNVBAGLBSA-N 318.251 1.513 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)N(C)CCc1ccccc1 69582319 IYUQMIKHEOONEN-CQSZACIVSA-N 306.431 1.999 0 40 DDAB COC(=O)CSc1nnc(COc2ccc(C)cc2)n1C 420582 BECRLYJKDJJVIF-UHFFFAOYSA-N 307.375 1.968 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2)c1 2651089 RWYWXWABGXFABD-UHFFFAOYSA-N 318.398 1.833 0 40 DDAB Cc1nc(-c2ccccn2)sc1C(=O)NCCCC(N)=O 75910696 FHYBQLLVIQBSMC-UHFFFAOYSA-N 304.375 1.509 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 102676238 QZDINGCMWIXPPJ-FDICVXPISA-N 316.401 1.442 0 40 DDAB C[C@H](OC(=O)CCNC(=O)c1ccccc1)C(=O)NC1CC1 32947086 CKCCWNMUMYBIJC-NSHDSACASA-N 304.346 1.017 0 40 DDAB CCOC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 7787089 JJGDYCSDMXXWJS-AWEZNQCLSA-N 310.737 1.670 0 40 DDAB COc1cccc(-n2nnc(C(=O)NC[C@@H]3CCOC3)c2C)c1 41366000 PGODJEQMDIVKEV-LBPRGKRZSA-N 316.361 1.351 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)c2nncn2C)cn1 46824225 IPNCPVZVKIZRBS-LLVKDONJSA-N 318.381 1.558 0 40 DDAB Cc1nn2c(SCC(=O)Nc3ccccc3)nnc2nc1O 22719907 WOPDVHYFAZXNRA-UHFFFAOYSA-N 316.346 1.264 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCc2ccccc21 22737582 KORBVNGBGUQYPQ-UHFFFAOYSA-N 322.372 1.455 0 40 DDAB CCc1cc2c(=O)[nH]c(-c3cn(CC)c(=O)[nH]c3=O)nc2s1 102781256 NBTWEINFPGETJT-UHFFFAOYSA-N 318.358 1.084 0 40 DDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 2928652 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O=C1NC2(CCCC2)C(=O)N1CCn1ccc(C(F)(F)F)n1 96428861 MYNKOMGWWJVUAE-UHFFFAOYSA-N 316.283 1.767 0 40 DDAB C[C@@H](C[S@](C)=O)NC(=O)NCCC1Cc2ccccc2C1 96010075 MSVWVCKLRGWIOG-LAJNKCICSA-N 308.447 1.858 0 40 DDAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 15905615 CWTRIYDJEQTLDI-ZXFNITATSA-N 310.353 1.252 0 40 DDAB CC(C)[C@@H](NC(=O)NCc1cccnc1)c1nnc2n1CCC2 72271556 RLJVGTLFDGMWEQ-CQSZACIVSA-N 314.393 1.816 0 40 DDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 8258690 LGXWBMPPDKFHQQ-UHFFFAOYSA-N 315.281 1.986 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC(NC(C)=O)CC1 69382351 RQMGWWFHMSNOPK-HNNXBMFYSA-N 308.353 1.640 0 40 DDAB CCO[C@@H]1C[C@H](N(C)C(=O)c2nccnc2N)C12CCCC2 72293745 WBRGGJOMOYYHOU-NWDGAFQWSA-N 304.394 1.869 0 40 DDAB Cc1cnn(CC2CCN(C[C@@H](O)Cn3cccn3)CC2)c1 71878751 HMFVAFLVXKPGMF-MRXNPFEDSA-N 303.410 1.161 0 40 DDAB CCn1cc(CNC[C@H]2CCO[C@@H]2c2cnn(CC)c2)cn1 83843576 SFTPADMLYPDJIL-ZBFHGGJFSA-N 303.410 1.987 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CCCN1CCOC[C@@H]1CCCO1 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1.481 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc3c(c2)CCC3)CCO1 257274764 NMNCWYYDGKVQAW-KRWDZBQOSA-N 302.374 1.152 0 40 DDAB O=C(O)c1cccc(O[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)c1 257264237 LTNFQYCJAHXCHL-ZIAGYGMSSA-N 305.330 1.135 0 40 DDAB CC(C)NC(=O)[C@]1(C)CCCN(c2cc(N(C)C)ncn2)C1 257205616 AZWPDMJURXWCNT-MRXNPFEDSA-N 305.426 1.674 0 40 DDAB O=C(c1cccnc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257233346 GOXAQRJKOVNLHB-HUUCEWRRSA-N 302.305 1.485 0 40 DDAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(OCC(=O)O)cc1 263073474 PHZOCOKECKDEGQ-OADPDTJPSA-N 319.357 1.895 0 40 DDAB CN(c1ncccn1)S(=O)(=O)c1ccc2c(c1)CCCO2 282249454 FLHKDLMBZCPVJX-UHFFFAOYSA-N 305.359 1.627 0 40 DDAB O=C(c1ncccn1)N1CC[C@H](Oc2ccncc2Cl)C1 575608493 YQHZWFAFJXMGDO-JTQLQIEISA-N 304.737 1.819 0 40 DDAB CN1CCCCC12CCN(C(=O)c1cccn(C)c1=O)CC2 585102477 ZAFIRJSZZMQQRY-UHFFFAOYSA-N 303.406 1.476 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)C2CCNCC2)C1 585278446 SOHXOZCWYCQRKZ-GOSISDBHSA-N 318.417 1.337 0 40 DDAB O=C([C@H]1CCCS1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093715 AAUBQWHHLFRLLV-ZIAGYGMSSA-N 310.463 1.187 0 40 DDAB O=C1CN(C(=O)c2ccccc2)S(=O)(=O)c2ccccc21 5274920 KDMLRFKQTNXLBP-UHFFFAOYSA-N 301.323 1.714 0 40 DDAB CC(=O)Nc1ccc(OC(=O)/C=C2\SC(=O)NC2=O)cc1 13658316 BRVYPDYAQBVFLL-POHAHGRESA-N 306.299 1.417 0 40 DDAB C1C[C@H](C2OC([C@H]3CCOC3)OC([C@@H]3CCOC3)O2)CO1 18084430 WUUWFOUZAJPQLX-BYWRMRNMSA-N 300.351 1.138 0 40 DDAB CCOCCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937296 IMFVFBBSRDOXJW-UHFFFAOYSA-N 301.346 1.593 0 40 DDAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3nc(C)no3)cc2)C1 206767835 QLXRCTKJZDFBJK-CQSZACIVSA-N 316.361 1.533 0 40 DDAB NC(=O)C1(CNc2nnc(C(F)(F)F)s2)CCOCC1 154595490 VLJTWTQDYVRYLT-UHFFFAOYSA-N 310.301 1.251 0 40 DDAB O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2n[nH]cc2c1 541590051 WNXPNODZGDLOPH-ZDUSSCGKSA-N 317.345 1.659 0 40 DDAB C[C@@H](NC(=O)c1nc(N(C)C)nc(=N)[nH]1)c1c(F)cccc1F 565546712 GHELGXDFZQAKQJ-SSDOTTSWSA-N 322.319 1.119 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cc(C)on3)C2)nn1 1888853838 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O=C([C@H]1COc2ccccc2O1)N1CC(OC[C@@H]2CCOC2)C1 1775966248 VTDAUOZQOQCSDT-MLGOLLRUSA-N 319.357 1.090 0 40 DDAB CCOCCNC(=O)NCCNc1ncccc1C(F)(F)F 50139281 CNPMUDZYEDFQMO-UHFFFAOYSA-N 320.315 1.848 0 40 DDAB COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 40267811 BYEDZWRKKTZCQZ-UHFFFAOYSA-N 319.748 1.999 0 40 DDAB Cn1ccs/c1=N\C(=O)c1cccc(N2CCCC2=O)c1 30991998 AXZAEOONSBGWGW-NXVVXOECSA-N 301.371 1.955 0 40 DDAB C[C@@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1ccc2c(c1)CCC2 51570840 MNXDSWJUBSMKEF-IAQYHMDHSA-N 315.369 1.816 0 40 DDAB Cc1ccc(C)c(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)c1 376965 MFKLKYQIMGMMDR-PWSUYJOCSA-N 322.386 1.080 0 40 DDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 1476091 VNVRBDDZSYIUJK-INIZCTEOSA-N 313.353 1.835 0 40 DDAB Cn1c2nc(=O)n(-c3ccccc3)c(=O)c-2nc2c1CCCC2 1565046 SRGWNININRDPRD-UHFFFAOYSA-N 308.341 1.310 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 32828533 IFEOAAAEEWDBBP-RWMBFGLXSA-N 322.453 1.193 0 40 DDAB C[C@@H](CNC(=O)c1cc(Br)c[nH]1)N1CCOCC1 29959957 LSSROODBFPBJHG-VIFPVBQESA-N 316.199 1.228 0 40 DDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCc3cccs3)cc21 29924376 DNBJHBVVAVSCBS-UHFFFAOYSA-N 316.382 1.928 0 40 DDAB CCc1cccc(C)c1NC(=O)COC(=O)c1nccnc1N 3567272 QJEIMNCTKZMSTO-UHFFFAOYSA-N 314.345 1.725 0 40 DDAB COc1ccc([C@H](O)CNC(=O)N[C@@H](C)Cn2ccnc2)cc1 41451819 YVZOQPZNBILQEQ-SWLSCSKDSA-N 318.377 1.313 0 40 DDAB COc1ccccc1C1(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 41509132 SCJMLTLDUMYTBN-LLVKDONJSA-N 309.387 1.030 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@H](O)Cc2ccccc2)C1 100747631 OKKNYWUBFZJGGO-OKZBNKHCSA-N 324.424 1.871 0 40 DDAB biogenic Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)n1 76044928 COAXWCISXRLKNZ-TZMCWYRMSA-N 314.345 1.189 0 40 DDAB CN1CC[C@@H](NC(=O)N2CC[C@H](Cc3ccccc3)C2)C1=O 76087205 WCBDJFMGEWRUEE-HUUCEWRRSA-N 301.390 1.491 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 76055884 HTNIZTDCVTXGBT-YJBOKZPZSA-N 301.434 1.671 0 40 DDAB COCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C[C@@H]1C(=O)O 107779474 NCJZDXJPCXCTGA-HUUCEWRRSA-N 320.389 1.209 0 40 DDAB CCc1ccccc1N1C(=O)C[C@@H](N2CCN(C)CC2)C1=O 101274007 GOXDPFFXRSDPSH-OAHLLOKOSA-N 301.390 1.128 0 40 DDAB Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCO)nc21 20560421 LZNBSMMTIBQAKL-UHFFFAOYSA-N 302.313 1.650 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CCCc3ccccn3)CCO2)n1 76045093 MYRIGVYEOQRKJI-CQSZACIVSA-N 315.377 1.431 0 40 DDAB CC1(C)C(=O)N(CCC(=O)NC[C@@H]2CCCO2)c2ccccc21 57355664 UTDBRHPIFRSSCP-ZDUSSCGKSA-N 316.401 1.996 0 40 DDAB Cc1noc(C)c1CN1CCc2nn(C(C)C)c(=O)cc2C1 76064981 TVUFFAQNMBEYPM-UHFFFAOYSA-N 302.378 1.987 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)n1C 24502505 XGXKMFJVPCHRCL-UHFFFAOYSA-N 318.421 1.697 0 40 DDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NCCCN(C)S(C)(=O)=O 106084034 KWMODHADRPQXAP-FRRDWIJNSA-N 319.471 1.392 0 40 DDAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cccnc1OC 107715437 JRNLSQZIRLYPPF-IHRRRGAJSA-N 306.362 1.499 0 40 DDAB CCOc1cc2c(cc1CNC[C@@H]1CN(C)CCO1)O[C@@H](C)C2 106905618 QVQHTZZJZBTDHK-XJKSGUPXSA-N 320.433 1.829 0 40 DDAB COCCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cncn1C)C2 108535368 VRUSZLGBSSXDCS-DOTOQJQBSA-N 320.437 1.175 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)C1 107533518 XQTKXDJSRVJPNI-ZFWWWQNUSA-N 312.435 1.156 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)n1 69536491 UEGHRMYWXUHJKI-HZPDHXFCSA-N 304.438 1.975 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)c4ccco4)[C@@H]3C2=O)cc1 100112564 JCTTVFUJJZCZTB-JSGCOSHPSA-N 323.308 1.288 0 40 DDAB NC(=O)CC1CCN(C[C@@H](O)COCc2ccccc2)CC1 69667257 PVGPAOMDQMJUPP-MRXNPFEDSA-N 306.406 1.152 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1ccnc1 44886170 ICMZDFAVVVIYSJ-CYBMUJFWSA-N 302.353 1.932 0 40 DDAB NCCCCCc1nnc(S(=O)(=O)Cc2ccccc2)o1 2352251 NTXNXIWGMMWDOM-UHFFFAOYSA-N 309.391 1.715 0 40 DDAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cnn1C 12876714 JJVYXGVHYJUZTM-SECBINFHSA-N 300.318 1.700 0 40 DDAB COC(=O)c1ccc(CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 3487552 PSQWKMNENDGABR-ZDUSSCGKSA-N 304.346 1.940 0 40 DDAB COC(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 12908850 NBMKMOHSJIZMBI-QMMMGPOBSA-N 322.317 1.322 0 40 DDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)CCc1ccncc1 69898327 JIWJEWJUEWCESJ-CQSZACIVSA-N 321.446 1.784 0 40 DDAB NC(=O)COc1ccccc1NC(=O)COc1ccccc1 69973731 LZHJEMWATBAVEU-UHFFFAOYSA-N 300.314 1.568 0 40 DDAB C[C@@H]1C[C@@H](Sc2nnc(N3CCOCC3)s2)C(=O)O1 49048919 UZQMRWWQCYXCBZ-HTQZYQBOSA-N 301.393 1.171 0 40 DDAB Nc1cc(-c2ccc(-c3ccn[nH]3)cc2)nc(N2CCOCC2)n1 65408510 MGMATFVXTIACPG-UHFFFAOYSA-N 322.372 1.953 0 40 DDAB O=C1CCCN1CCCNS(=O)(=O)c1ccc2c(c1)CCC2 14099392 UINNUFUKUMYVAC-UHFFFAOYSA-N 322.430 1.466 0 40 DDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCCC1 65566041 IBJABXFZKQTZGY-LLVKDONJSA-N 308.469 1.106 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N1CCc2sccc2C1 65588504 BKVMDHSAMBKKED-RYUDHWBXSA-N 321.446 1.137 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCCO1 14189914 SKWRXEPLMHNMBS-HNNXBMFYSA-N 302.374 1.651 0 40 DDAB Cc1ccccc1CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452502 YXVKKDOAOQGKKG-UHFFFAOYSA-N 309.325 1.455 0 40 DDAB O=C(CCn1c(=O)oc2ccccc21)OCC(=O)N1CCCC1 7620404 UCKRXAOZGMEHBW-UHFFFAOYSA-N 318.329 1.150 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Sc2n[nH]c(=O)n2C2CC2)no1 7776279 BVUAZXYBKANPFK-ZETCQYMHSA-N 309.351 1.322 0 40 DDAB Cc1ccc(/C=C/C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)o1 68742121 HUNAVSYHDWDPNS-YBJDMEARSA-N 309.387 1.779 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Cc2cc(C)ccc2OC)CC1 70004947 LIOXYDLCMCFWDH-MRXNPFEDSA-N 320.433 1.461 0 40 DDAB CN1CCO[C@H](CNCc2c(Cl)nc3sccn23)C1 69351982 WEUPADDCANRTPH-SECBINFHSA-N 300.815 1.469 0 40 DDAB COC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 97082782 NFCYCSKFQSNSAN-UHFFFAOYSA-N 312.313 1.804 0 40 DDAB Cc1cnc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)s1 9503742 OFAOTPUHZILGPU-CYBMUJFWSA-N 308.363 1.111 0 40 DDAB C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CCN1C[C@@H](C)O 71864520 DBLUROHALCGQEJ-LSDHHAIUSA-N 315.421 1.154 0 40 DDAB Cc1nnc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)o1 71817246 UXVZJRNGKKPWFP-UHFFFAOYSA-N 300.240 1.879 0 40 DDAB O=C1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CCN1 71839505 UBJOVAWYOGILIU-UHFFFAOYSA-N 316.279 1.476 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)CC1CCN(CCO)CC1 83864078 WUDDWUNTFQBLLA-UHFFFAOYSA-N 320.433 1.594 0 40 DDAB C[C@@H]1CN(C2CCN(CC(=O)N3CCCCCC3)CC2)CCO1 71997602 JWDOSFPLJGTHDX-MRXNPFEDSA-N 323.481 1.574 0 40 DDAB Cc1nccc(CNC(=O)NCCOc2ccc(F)c(F)c2)n1 72270143 PRZGAUAAYVKAGC-UHFFFAOYSA-N 322.315 1.941 0 40 DDAB O=C(NCCN1C(=O)CCC1=O)Nc1nc2ccccc2s1 72283351 FRSLKXUEABFKSD-UHFFFAOYSA-N 318.358 1.567 0 40 DDAB CNc1cc(N2CCC[C@H]2CNCc2cnc(C)cn2)ncn1 84258496 YNMSPTSJEXHXBX-AWEZNQCLSA-N 313.409 1.375 0 40 DDAB CCOc1ncccc1CNc1ncnc2c1cnn2CCO 97199853 LOGCUMSJZJBIHB-UHFFFAOYSA-N 314.349 1.224 0 40 DDAB Cc1cc(C)n(CCNC(=O)Cc2ccccc2C(=O)O)n1 72405432 AKJQLCYNDOSDTO-UHFFFAOYSA-N 301.346 1.557 0 40 DDAB COC(=O)CNC(=O)c1cc2c(OC)ccc(OC)c2n1C 72402655 YJUHKQKYTNIIKR-UHFFFAOYSA-N 306.318 1.098 0 40 DDAB Cc1noc(C)c1CN1CCO[C@@H](CNc2cccnn2)C1 78893871 HRWLDHFUDXUBFK-ZDUSSCGKSA-N 303.366 1.394 0 40 DDAB O=c1c2c(cnn1CN1CCN(Cc3ccccc3)CC1)CCC2 94993136 NXWBYWMHDODHMF-UHFFFAOYSA-N 324.428 1.507 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CC3(O)CCCCC3)C[C@H]2C)CC1 78896126 PMGDTHOVIVCJIH-WBVHZDCISA-N 323.481 1.166 0 40 DDAB CN(CCCNS(=O)(=O)N1CCCCC1)CC(F)(F)F 95350320 OOEDVMOYHFASNS-UHFFFAOYSA-N 317.377 1.191 0 40 DDAB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)c1 79015779 SYKPANNTWKLOHV-GJZGRUSLSA-N 312.373 1.646 0 40 DDAB N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 95426504 ZJWLNYXPPQQZRB-HOTGVXAUSA-N 315.417 1.170 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)[C@@H](C)N2CCCCCC2)c1C 95404268 PIFHXQVZVWLQFN-CYBMUJFWSA-N 306.410 1.267 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)o1 95982604 CFNSYEUBRGRJMK-MBNYWOFBSA-N 312.435 1.917 0 40 DDAB CC(C)c1nc(NCCc2nnc3n2CCC3)nc(N(C)C)n1 95981498 BFGWUYFXUWQHHE-UHFFFAOYSA-N 316.413 1.253 0 40 DDAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1cccc1 95978246 ICVYBATUJUHARI-LBPRGKRZSA-N 321.402 1.938 0 40 DDAB Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O 74706413 ZBYNKAVRNITSFE-UHFFFAOYSA-N 315.348 1.487 0 40 DDAB COc1cc(CNC(=O)N2CCN3CCCC[C@@H]3C2)ccn1 89429354 MTJVZWLBPUOVCU-CQSZACIVSA-N 304.394 1.470 0 40 DDAB CCCS(=O)(=O)CCN[C@]1(CO)C[C@H](C)CC(C)(C)C1 89960360 OASIHACFBKNKJA-UKRRQHHQSA-N 305.484 1.978 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@H](c2nncn2C)C1)c1cccnc1 89910036 NIXXXGFIFWDUBT-OCCSQVGLSA-N 314.393 1.860 0 40 DDAB CC(C)(C)n1nc(C(=O)NCCN2CCOCC2)cc1C1CC1 42765826 OJIYOJWFMSGZOI-UHFFFAOYSA-N 320.437 1.578 0 40 DDAB CCc1nc(CNc2cc([C@H]3CNCCO3)nc(C)n2)no1 72387882 VMWDHXKEDMQBSW-LLVKDONJSA-N 304.354 1.003 0 40 DDAB O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1ccccc1 77920437 MRLQSVOUPNIMTH-CYBMUJFWSA-N 320.295 1.753 0 40 DDAB C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@@H](O)C[C@@]3(CO)CC[C@@H]12 123377588 OCEUSYZMECFUAO-STWYACPISA-N 322.445 1.902 0 40 DDAB CO[C@H](C)CCC(=O)Nc1cc(Br)c[nH]c1=O 181212333 XIRPPMPQQAYZSA-SSDOTTSWSA-N 303.156 1.891 0 40 DDAB COc1ccc([C@@H]2CN(c3ncccn3)CCN2C(C)=O)cc1 72368951 XSALGBSEQMQDQB-INIZCTEOSA-N 312.373 1.895 0 40 DDAB C[C@@H](NC(=O)CCn1cncn1)c1cccc(-n2cccn2)c1 74036495 USPSFIOGVJFWJK-CYBMUJFWSA-N 310.361 1.731 0 40 DDAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCNS(C)(=O)=O)cc1 76956806 FRIIEJRPTFQZTM-CABCVRRESA-N 324.446 1.579 0 40 DDAB CN1C(=O)[C@](C)(C(=O)Nc2cnn(C)c2)Sc2ccccc21 40775011 DBOWCQVGFFXMJM-HNNXBMFYSA-N 316.386 1.886 0 40 DDAB CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860363 ZBGZZTBMRYNLJL-UHFFFAOYSA-N 316.338 1.395 0 40 DDAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)NC(C)(C)CO 75165766 FKXGIUIJBXSFPE-ZDUSSCGKSA-N 324.352 1.378 0 40 DDAB CCOCCCNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C 46087603 KKPCXHVZCGIOIS-UHFFFAOYSA-N 307.398 1.665 0 40 DDAB C[C@]1(C(=O)NC[C@@H]2CCCO2)Oc2ccc(Cl)cc2NC1=O 41550113 PBGPEDGMCZJCAJ-ZUZCIYMTSA-N 324.764 1.725 0 40 DDAB c1ccn(-n2c(CN3CCCC3)nnc2CN2CCCC2)c1 225150879 TWBVDCCEHZRNAD-UHFFFAOYSA-N 300.410 1.583 0 40 DDAB C[C@H]1OCCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)[C@@H]1C 190019013 UMHLBXARAFDABY-GHMZBOCLSA-N 301.346 1.742 0 40 DDAB O=C(c1ccoc1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96047732 YFQDMXZMLUBEFU-CZUORRHYSA-N 314.345 1.555 0 40 DDAB OC[C@@H](O)CSCc1cn2cc(Br)ccc2n1 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302.334 1.030 0 40 DDAB CC(C)c1cccc(NC(=O)Cn2cnnc2[S@](C)=O)c1 65501671 VSICQPCOOHPZOS-OAQYLSRUSA-N 306.391 1.778 0 40 DDAB CCC(CO)(CO)NC[C@H](O)COc1ccccc1C(C)C 14230145 GTVDKTALJWWNHC-AWEZNQCLSA-N 311.422 1.273 0 40 DDAB CCN(CC)C(=O)CN(C)C[C@H](O)COc1ccc(F)cc1 14238466 WMBVVCAUYBILKO-AWEZNQCLSA-N 312.385 1.366 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCc2cc(C)on2)c1C 66576459 LXOGSGBTIHDBJC-UHFFFAOYSA-N 324.358 1.557 0 40 DDAB O=C(NCc1ccccn1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 6803970 ABQINOKKQDNMNL-MRXNPFEDSA-N 322.368 1.933 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNC[C@@H]1CCCO1 6881767 MITYVVHGAMDZJY-CABCVRRESA-N 323.389 1.406 0 40 DDAB NC(=O)[C@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1 7307201 CTPKTUJPACTOOW-LLVKDONJSA-N 324.383 1.190 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)C[C@@H](C)O 96011066 FEYZTXYFQQENSC-VXGBXAGGSA-N 308.378 1.091 0 40 DDAB CC(C)[C@@H](Sc1nc2ccccc2n1C)C(=O)NC(N)=O 9366146 ZKCDAPLQTVUTCY-LLVKDONJSA-N 306.391 1.885 0 40 DDAB O=C(CNC(=O)Cc1ccccc1)NCc1nc2ccccc2[nH]1 9376592 CDNKAOUWSCKXJG-UHFFFAOYSA-N 322.368 1.538 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)OCC3CC3)C2)n1 72235554 DUHJDGKUWLYHJD-XHDPSFHLSA-N 306.410 1.874 0 40 DDAB Cc1ncc2c(n1)CN(CC(=O)Nc1c(C)nn(C)c1C)CC2 69483787 NBKCLMBHWOPFMQ-UHFFFAOYSA-N 314.393 1.132 0 40 DDAB O=C(CCS(=O)(=O)CCCCCO)Nc1ccc(F)cc1 69416878 XNNPMRWIXMDUBO-UHFFFAOYSA-N 317.382 1.732 0 40 DDAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cn[nH]c1C 69487350 KRUZVDLQVCCNOB-UHFFFAOYSA-N 316.361 1.828 0 40 DDAB O=C1CC[C@@H]2CN(c3cnnc(O)c3Cl)CC[C@@H]2N1C1CC1 91504941 BHDLAYHCMDZGIN-KOLCDFICSA-N 322.796 1.815 0 40 DDAB COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(N)=O)ccc21 69571531 NHCWTXNOUXTSGZ-UHFFFAOYSA-N 317.389 1.462 0 40 DDAB CNC(=O)NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1 69563907 JYVHXAJCBGBSRU-AWEZNQCLSA-N 310.442 1.030 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cc1cc2ccccc2[nH]c1=O 71828389 XKIXCIBDXXQOTF-NWDGAFQWSA-N 300.358 1.706 0 40 DDAB CN1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cn2)CC1 71823576 JSAQABULXALYFI-HNNXBMFYSA-N 314.433 1.806 0 40 DDAB COc1ncnc(N(C)C)c1NC(=O)Nc1ccc(O)cc1 97164747 BNOVIODHIMQEKD-UHFFFAOYSA-N 303.322 1.901 0 40 DDAB CCOC(=O)N[C@](Nc1ccccn1)(C(=O)OC)C(F)(F)F 19932894 XWSBGMJLCRZUCN-LLVKDONJSA-N 321.255 1.671 0 40 DDAB COC[C@](C)(O)CNC(=O)/C=C/c1ccc(Br)o1 72304501 KWFHIMGHTCGPNP-FVOPLDGLSA-N 318.167 1.569 0 40 DDAB CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)C(=O)N2CCCC2)cn1 83843405 IIZNWQKOZLYTRN-OFQRWUPVSA-N 320.437 1.581 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)C12CCC2 72304225 DWURNBGVAQPBFL-ZIAGYGMSSA-N 320.389 1.782 0 40 DDAB CCCN1CCC(N2CCN(C(=O)[C@@H](C)SC)CC2)CC1 71900329 HWWPAZYFNFOLBK-CQSZACIVSA-N 313.511 1.757 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 71920419 GPQVCCYNAOANMO-LLVKDONJSA-N 323.370 1.770 0 40 DDAB CN(C)CCNC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 9762920 KJLIMJBUGFZUDI-UHFFFAOYSA-N 321.465 1.529 0 40 DDAB Cc1nnc(CN(C)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1C 72489083 VBHBZCSYJOKCFH-QWHCGFSZSA-N 315.421 1.821 0 40 DDAB C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC[C@H](O)C2)C[C@@H](C)O1 97413769 WOVHOEJSJLDALU-MCIONIFRSA-N 313.442 1.041 0 40 DDAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccon1 95392549 JBECIBKLYCPORQ-UHFFFAOYSA-N 309.325 1.815 0 40 DDAB CC(C)C[C@H]1COCCN1CCn1nc2ccccn2c1=O 72978509 LZKKPBJTFGHEOL-AWEZNQCLSA-N 304.394 1.243 0 40 DDAB CCC(=O)N1CC[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 79110890 OKCHWEDJOXPYPA-HOCLYGCPSA-N 316.401 1.818 0 40 DDAB Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)N(C)C 79101441 AMBWRINGYZVWBF-CYBMUJFWSA-N 303.362 1.013 0 40 DDAB CC(C)CNc1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 79495715 WXERRHPAKZCPLE-SECBINFHSA-N 317.436 1.128 0 40 DDAB O=C(NCC1CC1)[C@H]1CN(Cc2ccco2)Cc2cncn21 306133929 MZOJDZHIJUBZLK-OAHLLOKOSA-N 300.362 1.559 0 40 DDAB O=C(O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F 85326872 KLRRCPJLVYBZCJ-SCZZXKLOSA-N 305.302 1.496 0 40 DDAB CCOc1ccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cn1 95975287 MZYJZBVZNDMMGD-LLVKDONJSA-N 301.350 1.882 0 40 DDAB Cc1ccc(C)c(OCCC(=O)NCc2nccc(N)n2)c1 95993389 BMYMPAOSEDHRSZ-UHFFFAOYSA-N 300.362 1.761 0 40 DDAB CN1CC[C@H](C(=O)Nc2nccn2Cc2ccccc2)CC1=O 95954033 VQTQEQDCXWHZOK-AWEZNQCLSA-N 312.373 1.738 0 40 DDAB Cc1ccccc1Cc1nnc(CSc2n[nH]c(=O)n2C)o1 89690459 NTUYMFKOMHQBHY-UHFFFAOYSA-N 317.374 1.683 0 40 DDAB Cn1c(Cl)cnc1CN1CCN(C(=O)c2ccncc2)CC1 89741141 OOONIDXIOJRCMB-UHFFFAOYSA-N 319.796 1.427 0 40 DDAB CC(C)c1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)nn1C 89893331 GXVFKVUWEAGFMD-GXTWGEPZSA-N 309.435 1.890 0 40 DDAB Cn1ccnc1N1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 89926777 RMLBITHRYKMIAJ-OAHLLOKOSA-N 320.824 1.929 0 40 DDAB CNC(=O)COC(=O)c1cnn2c(-c3cccs3)ccnc12 75582971 KLCNGPHMBNBWBE-UHFFFAOYSA-N 316.342 1.361 0 40 DDAB CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 79410071 YIDFKWFMTAVXJE-STQMWFEESA-N 313.442 1.685 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccn3)c2)C[C@@H](C)O1 72239012 NZVNRZHXOWFIHZ-TXEJJXNPSA-N 322.390 1.065 0 40 DDAB CN(C)c1ncccc1C(=O)NCCS(=O)(=O)C(C)(C)C 79051939 DLAKLTYOUKMMEO-UHFFFAOYSA-N 313.423 1.091 0 40 DDAB Cc1cc(N2CCO[C@H](c3ccc(N(C)C)cn3)C2)nc(N)n1 72388051 NJBXRADGCSOOFC-AWEZNQCLSA-N 314.393 1.406 0 40 DDAB CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1F 79029075 QPFSCYGASOBFBE-NSHDSACASA-N 300.305 1.427 0 40 DDAB O=C(CN1CCC[C@@H](O)CC1)NC1C2CC3CC(C2)CC1C3 559479913 UAWCCTLVFKSVGE-PKSOCPPESA-N 306.450 1.774 0 40 DDAB Cc1cc(Cl)ccc1CN1CCN(c2nnnn2C)CC1 561341568 WXKSAJOYSNDTMA-UHFFFAOYSA-N 306.801 1.494 0 40 DDAB COc1cc(OC)cc(C(=O)Nc2nnc3n2CCS3)c1 8600548 NGKFBADUIRHRHX-UHFFFAOYSA-N 306.347 1.653 0 40 DDAB CC(C)CN1C[C@@H](c2nc(-c3ccc(O)nc3)no2)CC1=O 562555939 KLNJVTDXIMLSEP-NSHDSACASA-N 302.334 1.809 0 40 DDAB CN1CCC[C@H](c2cnc(CCC(=O)NC(C)(C)CO)cn2)C1 72366894 RQIHTMNEFJEXFW-ZDUSSCGKSA-N 320.437 1.106 0 40 DDAB COc1cc(OC)nc(N2CCN(c3ccccc3F)CC2)n1 448246124 ZUBGSTSLEUFESY-UHFFFAOYSA-N 318.352 1.960 0 40 DDAB CCOc1ccc(CCNC(=O)Cn2cncn2)cc1OCC 42669931 VQXZZXUCGWFQKR-UHFFFAOYSA-N 318.377 1.434 0 40 DDAB CCCCOc1ccc(S(=O)(=O)N[C@H](CC)CO)cc1 41096372 JXSANGSDUOVXGH-GFCCVEGCSA-N 301.408 1.915 0 40 DDAB O=C(NCCCN1CCN(C[C@H]2CCOC2)CC1)C1CCCC1 88538315 VYRDJFQEAQACRI-MRXNPFEDSA-N 323.481 1.337 0 40 DDAB c1ccc2oc(N3CCOC[C@H](Oc4cnccn4)C3)nc2c1 85436015 MGIAQCHUPRNWRH-GFCCVEGCSA-N 312.329 1.902 0 40 DDAB biogenic,in-vitro O=C(Nc1nc(C(=O)Nc2nccs2)co1)c1cnccn1 75157980 OPWYUJIXWHKCAY-UHFFFAOYSA-N 316.302 1.426 0 40 DDAB Cc1cc(NC(=O)CN2CC(c3nc(C4CC4)no3)C2)no1 75156388 GBUXUYZUKLNREB-UHFFFAOYSA-N 303.322 1.281 0 40 DDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cnccn1 225437081 GSMQZJBJVWJEMN-UHFFFAOYSA-N 313.766 1.964 0 40 DDAB Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1Cl 195546306 LFISZYQHKLSDKX-ZDUSSCGKSA-N 312.797 1.071 0 40 DDAB Cc1cc(C)n2c(S(=O)(=O)Cc3ncc(C)s3)nnc2n1 195082518 CBJCUKIGPGUNBD-UHFFFAOYSA-N 323.403 1.480 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3O2)n1 96219703 HULNDTAAXBRGMW-GMXVVIOVSA-N 318.333 1.147 0 40 DDAB CCOCCN1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 96066256 HLZSFSOWBKMQKI-SOUVJXGZSA-N 312.410 1.056 0 40 DDAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)n2nnnc2C)no1 96411182 RIRSKPICIDOEFM-ZDUSSCGKSA-N 312.333 1.700 0 40 DDAB O=C(N1CCCC1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107667 WXQFUGDAYBZIQC-YOEHRIQHSA-N 317.389 1.910 0 40 DDAB c1ccc(CO[C@@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)nc1 96183471 NUHKPUPMCLSEDZ-RBUKOAKNSA-N 324.428 1.952 0 40 DDAB Cc1ccc(CC(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1 96201941 AAKFXYHFBSBMIU-SFHVURJKSA-N 302.418 1.718 0 40 DDAB O=C(NC[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1)C1CCC1 96251657 WTVGPJLICGGZCI-MCIONIFRSA-N 321.446 1.649 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)CCc3ccco3)CC2)S1 96426961 URXLURXSFGFOGI-GFCCVEGCSA-N 307.419 1.848 0 40 DDAB C[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1 91335574 LFFRGZVGGGIZNN-IUODEOHRSA-N 323.462 1.469 0 40 DDAB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2cnn(C)c2)COC1 96112819 MCUJVHYSAZGEBQ-AWEZNQCLSA-N 311.389 1.939 0 40 DDAB biogenic,in-vitro COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(F)cc1C(F)(F)F 93103393 WOBXVWITMFCQHX-PWSUYJOCSA-N 321.270 1.953 0 40 DDAB CN1CC2(CCCC2)c2cc(C(=O)N(CCO)CCO)ccc21 248027522 MVTSYASWVASPRC-UHFFFAOYSA-N 318.417 1.375 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 245339378 SIVOUGAMGBUGFX-MMXZSISVSA-N 317.389 1.228 0 40 DDAB COCC[C@@H]1CCOC12CCN(C(=O)c1ncccn1)CC2 247823464 DSPURRSNRSZZMB-CYBMUJFWSA-N 305.378 1.524 0 40 DDAB CCO[C@H]1CCOC2(C1)CN(C(=O)c1ccc3c(c1)OCO3)C2 248378662 KFIGNNYTCREOSO-ZDUSSCGKSA-N 319.357 1.825 0 40 DDAB O=C(CCc1ccccc1F)N1C[C@@H](O)[C@H](N2CCCC2)C1 257344170 ZWANIUINYGJLSE-HZPDHXFCSA-N 306.381 1.426 0 40 DDAB CC(=O)N1CCN(CC(=O)N2CCCC2)C[C@H]1c1ccccc1 257307082 SXDDJYGRZLVORP-KRWDZBQOSA-N 315.417 1.514 0 40 DDAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCc1cccnc1 540630371 POQBHMVVQNVGII-UHFFFAOYSA-N 315.417 1.874 0 40 DDAB O=C(CCN1CCOCC1)N1CCC[C@H]1CCc1ccncc1 257320480 VXADAEZBSLLKJT-KRWDZBQOSA-N 317.433 1.728 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257232171 GJSBJAJICQOUGT-GFCCVEGCSA-N 319.386 1.695 0 40 DDAB O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)c1ccnc(-n2cccn2)c1 585123823 AXYFEDYQNCKYIA-IUODEOHRSA-N 324.344 1.250 0 40 DDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CO)CC1 46091297 PPCHFVJTBHGVSC-ZDUSSCGKSA-N 308.397 1.577 0 40 DDAB COc1cc2c(cc1OC)CN(c1ncnc3[nH]cnc13)CC2 47509133 GMIBRBDLRNZBCJ-UHFFFAOYSA-N 311.345 1.933 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc2c(c1)OCCO2 47746707 VCTDLYBXCDRZFD-ZYHUDNBSSA-N 304.346 1.161 0 40 DDAB O=C(CCc1cc(F)ccc1F)NCC(=O)Nc1cn[nH]c1 51412854 FFFHBDXNDLBGOT-UHFFFAOYSA-N 308.288 1.375 0 40 DDAB COC(=O)CN(C)C(=O)CCN1CCc2sccc2[C@H]1C 69770461 GTVCRVWVKHRDCU-LLVKDONJSA-N 310.419 1.689 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCC[C@H](O)C1 75156893 PNYQNNKNNMBQPM-MNOVXSKESA-N 303.355 1.416 0 40 DDAB CCc1cccc(NC(=O)CN2CCN([C@H]3CCOC3)CC2)c1 89289533 GGXLTXGCATZNRK-KRWDZBQOSA-N 317.433 1.594 0 40 DDAB CN(CC1(O)CCCC1)S(=O)(=O)c1cc(F)ccc1F 95448571 OXQJTWPRYCAKFM-UHFFFAOYSA-N 305.346 1.890 0 40 DDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(n2nccn2)C1 888106880 ATHJQFIABAJTBL-UHFFFAOYSA-N 316.745 1.316 0 40 DDAB CCC[C@H](O)C[C@@H]1C[C@H](O)[C@H]2CC[C@@H](O2)C(C)(C)C(=O)O1 1772591084 FDVLITONPQSTKU-MEBFFEOJSA-N 300.395 1.788 0 40 DDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3nccs3)ccc21 11615510 NPLOSWVEMFTVDR-UHFFFAOYSA-N 324.387 1.134 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N2CCCN=C2c2ccccc21 12142791 GVDHTETVJAADMK-UHFFFAOYSA-N 314.389 1.994 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13465442 USMJRFMICLNYFG-XCCSTKFXSA-N 315.325 1.935 0 40 DDAB CC(C)Cn1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 12232582 YRUHHZCCBOZORA-UHFFFAOYSA-N 319.409 1.080 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccn(C)n2)C1 390829186 DEXOBINOJXDXGL-ZDUSSCGKSA-N 302.378 1.974 0 40 DDAB O=C([C@@H]1CN(c2ccncc2Cl)CCO1)N1CCCCC1 1888881873 ZLGDMUNGAWXYPT-AWEZNQCLSA-N 309.797 1.953 0 40 DDAB CCc1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1 30448316 GNIOCDYPIICCCE-UHFFFAOYSA-N 308.407 1.471 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCn2c1nc1ccccc12 30793956 DXGKQWPWQGIIOA-LLVKDONJSA-N 324.340 1.794 0 40 DDAB N[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 20473835 YHWQXWNBZWWDRB-SECBINFHSA-N 308.325 1.817 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc[nH]1)C2 1565547288 NIKUZPCZGFBRMA-NVXWUHKLSA-N 306.406 1.991 0 40 DDAB COCCN1CCO[C@H]2CN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 1565541962 BBGFZUNWWYZFEJ-SJORKVTESA-N 318.417 1.475 0 40 DDAB COC(=O)c1ccc2nc(NC(=O)C3=COCCO3)sc2c1 6441052 BPLKYTWKGKDMNM-UHFFFAOYSA-N 320.326 1.910 0 40 DDAB COc1ccnc(N2CCN(CCN3CCCCC3)CC2)c1 77174238 LWDDFWQNEIHKPS-UHFFFAOYSA-N 304.438 1.698 0 40 DDAB O=C(COc1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16028284 XUGDYAXTRWINRY-LSDHHAIUSA-N 324.380 1.873 0 40 DDAB biogenic CN(C)S(=O)(=O)c1ccc(S[C@H]2CCCCC2=O)nc1 31745051 WXFWKVGXRVMQMV-LBPRGKRZSA-N 314.432 1.936 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCOc1cccc(F)c1 40527709 TWOXSXKPKDYSFH-UHFFFAOYSA-N 314.338 1.788 0 40 DDAB COc1cc(OC)c2[nH]c(C(=O)NC[C@H]3CCOC3)cc2c1 40514277 OVKXTYNCVOEGTG-SNVBAGLBSA-N 304.346 1.951 0 40 DDAB CCc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1ccccn1 31810919 UIXMRTVPONDFPZ-GFCCVEGCSA-N 300.362 1.739 0 40 DDAB CCOC(=O)Cn1c(=O)oc2cc(Br)ccc21 243322 SGMVVAPXVJFPKU-UHFFFAOYSA-N 300.108 1.920 0 40 DDAB Cc1cc(NN)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1 270450 BZLBBDGMWGUXOS-UHFFFAOYSA-N 313.770 1.525 0 40 DDAB Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 416492 LJNHEZGUNDGDNF-UHFFFAOYSA-N 317.414 1.780 0 40 DDAB C[C@@]1(C(=O)C2=NNC[C@H]2c2cccc(Br)c2)CO1 520183 PSWXULULFFXBAS-GWCFXTLKSA-N 309.163 1.850 0 40 DDAB CC[C@H](N[C@@H](C)Cn1cc(C)cn1)C(=O)Nc1cc(C)on1 69561424 MWXOCLJFCGKARU-AAEUAGOBSA-N 305.382 1.883 0 40 DDAB O=C1CCCN1c1cccc(N[C@@H]2CC(=O)N(C3CC3)C2=O)c1 32771801 GWSSRWMDCYRZQB-CQSZACIVSA-N 313.357 1.515 0 40 DDAB Cc1ccc(C)c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 4634745 PVTMUFYXJQHPSK-UHFFFAOYSA-N 304.375 1.700 0 40 DDAB CN(CCCNC(=O)c1ccccc1Cl)S(C)(=O)=O 32915151 XSTSFYAFRBZIOZ-UHFFFAOYSA-N 304.799 1.351 0 40 DDAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)N1CCCC1 12198273 CSONBOXZMNGROF-NSHDSACASA-N 312.391 1.178 0 40 DDAB COc1ccc(CCC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 8402330 NEUOBCCBENIEME-HNNXBMFYSA-N 321.373 1.466 0 40 DDAB CC[C@H]1CN(c2cnc3ccccc3n2)CCN1C[C@@H](C)O 71859512 MZNZZVBNIJPZSB-KGLIPLIRSA-N 300.406 1.911 0 40 DDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccsc1 9549244 RCRBEIKDFOYVKR-LLVKDONJSA-N 312.416 1.731 0 40 DDAB COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1O 9752708 VDFFGDIMCYZZKT-UHFFFAOYSA-N 317.326 1.723 0 40 DDAB Cc1cc2ncc(C(=O)NCc3nnc4ccccn34)c(C)n2n1 22690495 GFEFQVPXOMPWKE-UHFFFAOYSA-N 321.344 1.319 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2cccnc2Cl)CC1 69920723 DEYRHFGWYSWXRM-GFCCVEGCSA-N 322.840 1.520 0 40 DDAB O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721029 STNNHNDTQAXTMM-KKUMJFAQSA-N 303.362 1.275 0 40 DDAB CCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 106838518 CAKPUPUDPHFLSA-ABAIWWIYSA-N 316.405 1.908 0 40 DDAB CC(=O)N[C@H](CC(=O)NC[C@@H](C1CC1)N(C)C)c1cccs1 55718983 ASOHZGQUNXYQIB-KGLIPLIRSA-N 323.462 1.772 0 40 DDAB c1ccc(C2=NO[C@@H](CSc3nnnn3C3CC3)CN2)cc1 57746636 XPPQBAZWKZGWNF-GFCCVEGCSA-N 316.390 1.450 0 40 DDAB CC(C)Cc1nc(CSc2nnnn2CCN(C)C)no1 57924555 HQXPNGGPSUWGHM-UHFFFAOYSA-N 311.415 1.109 0 40 DDAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3cccc(Cl)c23)CC1 20744835 SQUGYOYYJPCYEX-CQSZACIVSA-N 321.764 1.721 0 40 DDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 23863642 NSBKWHKRFQSVNC-GFCCVEGCSA-N 317.432 1.274 0 40 DDAB C[C@@H](CCNC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1 71897730 WLHVVZNTBDULSK-RDJZCZTQSA-N 318.465 1.725 0 40 DDAB O=C(NCc1nccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 44895329 GGTSJCLQAOAPDY-LBPRGKRZSA-N 319.386 1.221 0 40 DDAB NC(=O)n1cc(C(=O)c2cc(Br)ccc2O)cn1 44868050 YZNVKZZOLLDEAH-UHFFFAOYSA-N 310.107 1.509 0 40 DDAB O=C(CCN1CCSC1=O)N1CCN(Cc2ccco2)CC1 44891829 YTIHIMCNLITESU-UHFFFAOYSA-N 323.418 1.483 0 40 DDAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CS(N)(=O)=O 77000099 KGIVFLMDUHFEMQ-VHDGCEQUSA-N 322.430 1.378 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccco2)n2ncnc2N1 10157069 NOGLOZSUQGWTCX-CYBMUJFWSA-N 315.333 1.019 0 40 DDAB COC(=O)[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)C(C)C 2103930 NWTTXUSSZUWPFL-ZDUSSCGKSA-N 308.334 1.412 0 40 DDAB biogenic COc1ncccc1NC(=O)Cn1ccc(C(F)(F)F)n1 44954511 DXAAMJCEVLNIQR-UHFFFAOYSA-N 300.240 1.944 0 40 DDAB O=C(O)[C@H]1CC(=O)N(c2cccc(N3CCCCC3=O)c2)C1 44979122 FWWVXMUBUFDURU-NSHDSACASA-N 302.330 1.641 0 40 DDAB Cc1nc(CCNC(=O)N[C@@H]2CCN3CCCC[C@H]23)cs1 44967733 MVOYMOITWZPIKB-ZIAGYGMSSA-N 308.451 1.920 0 40 DDAB COc1ncccc1CNC(=O)N[C@H]1CCN2CCCC[C@H]12 44968848 ODZLFEOZNVNVRD-UONOGXRCSA-N 304.394 1.516 0 40 DDAB Cc1cccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1 12798916 GSUUEXWMZDQXQW-UHFFFAOYSA-N 300.362 1.718 0 40 DDAB Nc1nonc1NC(=O)CSc1nc2ccccc2s1 2500995 CBFANANMOCCRRB-UHFFFAOYSA-N 307.360 1.992 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)s1 69704101 INJDGOJQOQGPKJ-NSHDSACASA-N 310.375 1.131 0 40 DDAB COc1cccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 12995117 KEZUYIIITHTNEW-UHFFFAOYSA-N 301.346 1.967 0 40 DDAB CCN(CC)CCNS(=O)(=O)c1cc(C(=O)O)ccc1C 13026627 BLYLRHCCTFYKND-UHFFFAOYSA-N 314.407 1.313 0 40 DDAB CCN(CC)CC(=O)NCCc1csc(N2CCCC2)n1 71910835 DOESMRWFUCMBFZ-UHFFFAOYSA-N 310.467 1.744 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cnc2sccn2c1=O 6383126 JJLAPZQNJNCIJT-UHFFFAOYSA-N 311.326 1.307 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 65491407 RUTBLFRSOMOFJY-DZGCQCFKSA-N 324.446 1.373 0 40 DDAB O=C(NC[C@@H]1CCOC1)C1=NN(c2ccccc2)C(=O)CC1 65458471 WYAOSSKPNGODKW-LBPRGKRZSA-N 301.346 1.322 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2cnn(-c3ccccc3)n2)cn1 71796906 NSHSVQWEIUCHIM-MRXNPFEDSA-N 322.372 1.978 0 40 DDAB CN(C)C(=O)Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71285110 QLWOAIMSJKYMEJ-ZIAGYGMSSA-N 318.373 1.613 0 40 DDAB CC1(C)C[C@H](NC(=O)c2cccc(-n3cnnn3)c2)CCO1 71284512 PFQTWVBYLPUUJR-GFCCVEGCSA-N 301.350 1.350 0 40 DDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCC1CC1 27466595 XZHJQXBFLBEOAL-UHFFFAOYSA-N 316.382 1.875 0 40 DDAB CCn1c(NC(=O)[C@H]2CN(C)CCO2)nc2cc(F)ccc21 96010660 BZOAEPRMAGUVLZ-CYBMUJFWSA-N 306.341 1.464 0 40 DDAB CN(CCOc1ccccc1Br)S(C)(=O)=O 90368736 COFSUTYEJNQGBF-UHFFFAOYSA-N 308.197 1.719 0 40 DDAB C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)CC1(C)OCCO1 80694191 MNQMOKTXKYDKNT-LLVKDONJSA-N 324.402 1.514 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(Cc3ccccc3Cl)[C@@H]2C1 9340962 NTWHWOHQROJBIP-GHMZBOCLSA-N 316.835 1.196 0 40 DDAB CS[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CN(C)CCN1C 110611028 DEMTVWLWAIOBOX-MGPQQGTHSA-N 314.499 1.206 0 40 DDAB O=C(CN1CCc2cncnc2C1)NCCc1cccs1 69463541 HMDCCUVIGCLDRR-UHFFFAOYSA-N 302.403 1.255 0 40 DDAB CS(=O)(=O)Cc1cccc(C(=O)NCc2ccccn2)c1 17167868 PCSXUWLPNBWDPM-UHFFFAOYSA-N 304.371 1.556 0 40 DDAB C[C@@H]1CCC[C@@H](Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H]1C 97080750 FPYFQJXSAXBWND-IIAWOOMASA-N 320.437 1.979 0 40 DDAB O=C(NCC1CCC1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 72291038 MANZWRHKYSMLQS-UHFFFAOYSA-N 317.324 1.261 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H](C)n1cccn1)C2 72279556 NBWQCVCKDDKSAS-LLVKDONJSA-N 300.366 1.251 0 40 DDAB COc1ccc([C@H](NC(=O)N[C@H](C)CO)C(F)(F)F)cc1 97100209 DCXDIANXBBQIJC-KCJUWKMLSA-N 306.284 1.979 0 40 DDAB CS(=O)(=O)N1CCO[C@@H](c2ccc(Br)cn2)C1 72344130 AQPZPXRCHSEUQF-SNVBAGLBSA-N 321.196 1.177 0 40 DDAB COc1cc(NC(=O)[C@@H]2CCC(=O)N2)ccc1Br 78972456 REMKTHIHXDGTIL-VIFPVBQESA-N 313.151 1.675 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCC(c2ccc(F)c(F)c2)CC1 95351040 WGMCMAMTFLGFIJ-SECBINFHSA-N 311.332 1.728 0 40 DDAB CCCC(=O)NCC(=O)N1CCC[C@H]1c1nncn1CC(C)C 84739853 XTIPPFNWGKMDOX-ZDUSSCGKSA-N 321.425 1.514 0 40 DDAB NC(=O)c1cn(CC(=O)N2CCCCCCC2)c(C2CC2)n1 95419282 BKSVRRSJXNZPLW-UHFFFAOYSA-N 304.394 1.652 0 40 DDAB O=C(c1cncc(-c2ccc(Cl)cc2)c1)N(CCO)CCO 95985955 JQHCZGVULRDFCW-UHFFFAOYSA-N 320.776 1.829 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Cn2cnnn2)cc1 74517526 QCQBJIREABEEIE-ZFWWWQNUSA-N 301.350 1.018 0 40 DDAB COc1ccccc1OS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 9949771 CYOVDYBWZIMQAY-UHFFFAOYSA-N 320.326 1.633 0 40 DDAB C[C@H]1SCCN(C(=O)c2cnc3sccn3c2=O)[C@@H]1C 89920064 NPLVCMGTKPBWHV-RKDXNWHRSA-N 309.416 1.722 0 40 DDAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCCN1 34799443 LOYZPFWXCMHPJG-OAHLLOKOSA-N 316.405 1.157 0 40 DDAB Cn1cc(CC(=O)N2CC(Nc3cnccn3)C2)c2ccccc21 675008239 LCQRZVCDEFBOOM-UHFFFAOYSA-N 321.384 1.834 0 40 DDAB CCOC(=O)C(=C/C(Br)=C/N(C)C)C(=O)OCC 32110919 KUTQHZMYMSYMHU-HJWRWDBZSA-N 320.183 1.837 0 40 DDAB O=C(c1ccnc(C2CCNCC2)c1)N1CCC[C@H](CO)C1 72365679 VEVYKKWNDZKJPV-ZDUSSCGKSA-N 303.406 1.393 0 40 DDAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(C)cc1 33729658 HBWPKNZAYUJSKU-UHFFFAOYSA-N 321.431 1.875 0 40 DDAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)[C@@H]1CCCO1 71195893 JWWWHOKDCUCAJP-HIFRSBDPSA-N 312.373 1.940 0 40 DDAB COc1ccsc1S(=O)(=O)N1CC(C)(C)NC(C)(C)C1 521394474 PLADPWJVBUBLPF-UHFFFAOYSA-N 318.464 1.908 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1Cl 79310268 SAAAAJODMJZQML-NSHDSACASA-N 301.795 1.955 0 40 DDAB COC(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)OC 225449516 JXLYOWZFQVMJHM-UHFFFAOYSA-N 306.406 1.358 0 40 DDAB CC1(C)CN(C(=O)c2cc(-n3cccn3)ccn2)CC[S@]1=O 88205640 WRJQNMTYBBJZSP-QFIPXVFZSA-N 318.402 1.250 0 40 DDAB CCN(CC(F)F)S(=O)(=O)c1ccc(C)cc1C(=O)O 569719747 JDZMRBIWHOKWPZ-UHFFFAOYSA-N 307.318 1.969 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C 75162055 VWWGLYGONYZPTK-UHFFFAOYSA-N 322.390 1.660 0 40 DDAB Cc1cc(CNc2cc(N3CCCC3)ncn2)nc(N(C)C)n1 225490916 GEEBJOBHMVDNCP-UHFFFAOYSA-N 313.409 1.853 0 40 DDAB CO[C@H](C)CS(=O)(=O)NCc1cccc(-c2cnn(C)c2)c1 225675520 XQTQEMVCQPCJQZ-GFCCVEGCSA-N 323.418 1.541 0 40 DDAB C[C@]1(C(=O)NCCc2ccco2)Oc2ccccc2NC1=O 40776468 MSILKXKGITWEBD-MRXNPFEDSA-N 300.314 1.728 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCCN(C)C1 46087373 SSGBBCYSZQECOP-SFHVURJKSA-N 320.433 1.736 0 40 DDAB CCO[C@@H]1CCN(C(=O)c2cscn2)[C@@H]1Cc1cnn(C)c1 96200627 IXZFEJWUSVSKHL-ZIAGYGMSSA-N 320.418 1.739 0 40 DDAB Cc1noc(C)c1CCN1C(=O)c2ccccc2S1(=O)=O 95439409 SOJWNQVIOZDKCJ-UHFFFAOYSA-N 306.343 1.679 0 40 DDAB Cn1nc(CCC(=O)NCCc2ccc(Cl)cc2)ccc1=O 96123959 DUOABOBEYSOXRQ-UHFFFAOYSA-N 319.792 1.725 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472077 UNVMNTSSBKYEAH-LLVKDONJSA-N 321.340 1.950 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96220525 JVRMUMDMQBQUMC-HNNXBMFYSA-N 320.389 1.395 0 40 DDAB COCCN1CC[C@@H](NC(=O)NCC2(c3ccccc3)CC2)C1 96413267 NEVSDRWZBKHNTD-MRXNPFEDSA-N 317.433 1.738 0 40 DDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCN(c3cnccn3)C2)C1 96219765 BINWJBBLNDUILP-CZUORRHYSA-N 312.377 1.141 0 40 DDAB Cc1ccccc1C(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1 96248669 LLBVYXNHXWHXBJ-CVEARBPZSA-N 324.384 1.515 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)NC1CC(C(F)(F)F)C1 332460003 PINPPDMXZGNFCG-RTBKNWGFSA-N 307.316 1.493 0 40 DDAB COc1ccc2nc3n(c2c1)[C@@H](CNC1CCOCC1)COC3 96112633 ALPAHJBXILOCQB-ZDUSSCGKSA-N 317.389 1.885 0 40 DDAB biogenic,in-vitro CCCn1nnnc1CNc1ccc(F)c(-n2nnnc2C)c1 96453538 PYBJYQYSRQWEDP-UHFFFAOYSA-N 317.332 1.118 0 40 DDAB CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 96658925 LBWXRYRACGAQHG-UHFFFAOYSA-N 319.386 1.543 0 40 DDAB CC(C)N(CCS(C)(=O)=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 96485421 RWYYGXDJIJVKMD-ZIAGYGMSSA-N 318.483 1.246 0 40 DDAB c1coc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)c1 247884677 CWIDAUCSMXCSKJ-ZDUSSCGKSA-N 301.346 1.882 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O 242575129 NSWHTGUSYRGYPH-BZUAXINKSA-N 311.447 1.741 0 40 DDAB Cc1nc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)co1 257207986 BKEOSNKCORNIBY-NSHDSACASA-N 302.334 1.597 0 40 DDAB C[C@]1(O)CN(C(=O)Cn2cccn2)CC[C@@H]1Oc1ccccc1 257237828 HIIYIWAGIYMHCD-RDJZCZTQSA-N 315.373 1.314 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccnn2C)C[C@@H]1c1ccccc1 257261402 LHDCFHCIDAFMGC-MRXNPFEDSA-N 312.373 1.466 0 40 DDAB COc1ccccc1CN1CCC[C@@]1(C(N)=O)c1cnccn1 257236280 HBLPLIWUSPMGHQ-KRWDZBQOSA-N 312.373 1.462 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ncccn1 257232224 GJWRMJSOBXUUBM-CYBMUJFWSA-N 313.361 1.049 0 40 DDAB COc1ccccc1[C@@H]1CN(C(=O)Cn2cccn2)CCN1C 257313804 UUFIYJXOQUYOFG-HNNXBMFYSA-N 314.389 1.407 0 40 DDAB Cc1nccn1CCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 252551077 TYFKWWCOJKVVCS-CQSZACIVSA-N 316.361 1.184 0 40 DDAB O=C(O)CCC(=O)N1CCCC[C@H]1c1ccn2nccc2n1 257238992 HNLQIOYUZPQRMO-LBPRGKRZSA-N 302.334 1.648 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)CC3CC3)CO2)C1 575406946 YUKPYSFCXUPWAE-VHDGCEQUSA-N 320.433 1.566 0 40 DDAB C[C@H]1Cc2nnc(COCC3CC3)n2CCN1Cc1cn[nH]c1 585097330 IVCCJSGWIROGQL-LBPRGKRZSA-N 316.409 1.375 0 40 DDAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1nnn(C)n1 585094463 JIISEXLLAPVMRA-ZDUSSCGKSA-N 314.393 1.874 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCCN(c3ccncn3)C2)C1 585101293 WCMDKNAHVPRWBM-INIZCTEOSA-N 317.393 1.459 0 40 DDAB O=C(CN1CCN(c2ccccc2)CC1)NCC(F)(F)F 57389530 UNMNBJWDYICUFW-UHFFFAOYSA-N 301.312 1.487 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)NCc1cccc(-n2cccn2)c1 75140459 RIYBCLYPCXZKQQ-UHFFFAOYSA-N 317.374 1.382 0 40 DDAB CCOC(=O)[C@@](C)(NC(=O)CS(=O)(=O)CC(C)C)C(C)C 71914403 RXWZSRLFPVJWGU-AWEZNQCLSA-N 321.439 1.151 0 40 DDAB COc1ccccc1CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 89473618 CTZOFQIKVMDQKK-CQSZACIVSA-N 317.389 1.158 0 40 DDAB CN(C)S(=O)(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 95433030 ANEVQCIYHVISAE-SNVBAGLBSA-N 312.313 1.135 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)CSCc2ccccc2)C1 96365004 HJXDRGQTJOVWCK-CYBMUJFWSA-N 313.444 1.565 0 40 DDAB CC(C)(C)OC(=O)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 36878855 VNJLKQJSJOVRJP-LBPRGKRZSA-N 318.439 1.163 0 40 DDAB in-vitro CC1(C)C[C@@H](NC[C@H]2CCN(S(C)(=O)=O)C2)C(C)(C)O1 90796746 PUGSNVKAHJAZRE-VXGBXAGGSA-N 304.456 1.204 0 40 DDAB C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 95433448 AGEVPSSSWXEJFS-UWVGGRQHSA-N 305.346 1.746 0 40 DDAB Cn1c(=O)n(C[C@H](O)COc2ccccc2F)c2ccccc21 12916280 JORQENNUFPZKSY-LBPRGKRZSA-N 316.332 1.919 0 40 DDAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 16609935 HUHBSIXPLPGIPR-UHFFFAOYSA-N 312.391 1.364 0 40 DDAB CCCCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153457 WSCQODVXQWADMD-UHFFFAOYSA-N 308.403 1.600 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 245053477 OWBSHEPYBQPSNP-KFWWJZLASA-N 313.357 1.816 0 40 DDAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCO1 25402758 PEWMJHUSSPTCPN-LBPRGKRZSA-N 311.765 1.949 0 40 DDAB C[C@H](O)CNC(=O)c1ccccc1I 35108424 AYCBYRQLGRMOLD-ZETCQYMHSA-N 305.115 1.402 0 40 DDAB Cc1cc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)no1 2087140116 CLHGHQFYWILXDQ-UHFFFAOYSA-N 313.423 1.371 0 40 DDAB O=C(N[C@H]1CCc2nc(N3CCCC3)ncc2C1)[C@@H]1CCOC1 1565556549 NKXRRZKVPNZFCY-OCCSQVGLSA-N 316.405 1.087 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2[C@@H]1CC[C@@H]2Cn1cccc1 1565545820 PUKKXGMLFHKVNF-IFTGGNMHSA-N 316.401 1.387 0 40 DDAB CCSc1nnc(NC(=O)c2cc(=O)c(OC)c[nH]2)s1 16848122 ODUWHDVRJYCRIS-UHFFFAOYSA-N 312.376 1.599 0 40 DDAB O=C(NCC[C@H](O)c1cccs1)C(=O)NCc1ccco1 77115224 IUCUQEDMKBENJC-NSHDSACASA-N 308.359 1.197 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)NC2CCCC2)cc1 40477767 XIXHMZSNKFSFQU-UHFFFAOYSA-N 311.407 1.118 0 40 DDAB NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl 40494425 LNCBNDOIZSCNHD-SNVBAGLBSA-N 320.773 1.508 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCOC3)CC2=O)cc1 40514272 ICLHVNCPEJOIIH-CHWSQXEVSA-N 318.373 1.201 0 40 DDAB CC(=O)NCCNC(=O)c1sc(-c2ccccn2)nc1C 31867996 SANWRBFAVHCVFA-UHFFFAOYSA-N 304.375 1.379 0 40 DDAB CCOC(=O)[C@@](NC(=O)CC(C)C)(NC(C)C)C(F)(F)F 31871532 LVHYAIKTLQVAIW-LBPRGKRZSA-N 312.332 1.968 0 40 DDAB Cc1cc2ncn(C[C@H](O)CSc3nncn3C)c2cc1C 51185564 BSOYEZGNBNPASL-LBPRGKRZSA-N 317.418 1.935 0 40 DDAB COc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 2631519 SZEAAMQZTFMMJI-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O 3010523 KVGCCBQHDNCCEB-WDEREUQCSA-N 313.398 1.012 0 40 DDAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 4871911 WYHMLJNHFVVVQG-NUZBWSBOSA-N 301.273 1.109 0 40 DDAB COc1cccc(C2(O)CCN(CC(=O)NC(C)C)CC2)c1 4985088 HGLOLSHOYJQLDV-UHFFFAOYSA-N 306.406 1.503 0 40 DDAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 6556208 JNJUYMAVYLYJRG-OGRXGRENSA-N 313.309 1.608 0 40 DDAB CCCC(=O)Nc1nnc(S(=O)(=O)N(CC)CC)s1 6817859 KFDZKGZUOHZCFU-UHFFFAOYSA-N 306.413 1.307 0 40 DDAB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(O)cc1 455095 DKUIVNPQFJRYJZ-ZROIWOOFSA-N 324.292 1.764 0 40 DDAB CC(=O)NCCC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 7977438 IJAIBTJEZJKJQR-UHFFFAOYSA-N 317.341 1.979 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)C1(n2cnnn2)CCCCC1 101730939 OCTYMJPARNVBPD-MGPQQGTHSA-N 301.394 1.661 0 40 DDAB CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cccnc1 33145155 GZNMJSURAIAXAX-UHFFFAOYSA-N 319.386 1.019 0 40 DDAB O=C(CCN1C(=O)COc2ccccc21)OC[C@@H]1CCCCO1 61045566 PQJPXVIFJWRDBY-ZDUSSCGKSA-N 319.357 1.914 0 40 DDAB CCN1CCC[C@@H]1CNCC(=O)NCc1ccccc1OC 22029926 XXWSKWXJAVVBJF-OAHLLOKOSA-N 305.422 1.385 0 40 DDAB CC(=O)[C@H]1[C@@H]2[C@H](C(=O)[C@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N21 3947529 JMYRQFURESEJJS-ZHHZMWCQSA-N 311.337 1.416 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1cccs1 76092293 NHDZPHQNJQRZFT-MLGOLLRUSA-N 324.446 1.863 0 40 DDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O 103448744 LETUYZFPSYQLFJ-NTZNESFSSA-N 317.393 1.071 0 40 DDAB CCN1CCC(NC(=O)c2cn(C)nc2C(F)(F)F)CC1 54000570 WSAIWYMYUQHWLG-UHFFFAOYSA-N 304.316 1.653 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 42510171 VNDGLJPNGWSSMX-STQMWFEESA-N 322.409 1.787 0 40 DDAB C[C@]1(c2cccs2)NC(=O)N(CC(=O)NCC2CC2)C1=O 42603993 LWTBCOXGBJGBBO-CQSZACIVSA-N 307.375 1.041 0 40 DDAB C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCOCC1 24045615 RZLHLIUFAIUEHL-GFCCVEGCSA-N 317.389 1.471 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(NC(=O)c1ccncc1)C2=O 100572391 YBFKDDUDQWANQK-ZBEGNZNMSA-N 301.346 1.538 0 40 DDAB COCc1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 78455983 ZQRGJWGSBBVYED-AWEZNQCLSA-N 300.362 1.902 0 40 DDAB COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 78533031 WUVSWNVJNXNCCS-CYBMUJFWSA-N 316.398 1.215 0 40 DDAB COC(=O)C1(NC(=O)[C@H]2Cc3ccccc3O2)CCCCC1 25175008 WKSWWFLOKDSOMM-CQSZACIVSA-N 303.358 1.982 0 40 DDAB CN1N[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 101129296 UWAGVYVKWPTBSL-IKGGRYGDSA-N 321.380 1.732 0 40 DDAB Cc1noc(C(C)C)c1C(=O)NCC1(C(N)=O)CCOCC1 47909349 PUEKWURYJHHAPB-UHFFFAOYSA-N 309.366 1.118 0 40 DDAB O=C1CN(C(=O)[C@@H](OCC(F)(F)F)c2ccccc2)CCN1 56388111 MJQBTNQESZJBPH-LBPRGKRZSA-N 316.279 1.265 0 40 DDAB CC[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1C[C@H](C)O 107578988 QIECSTOMCMDVLK-MAZHCROVSA-N 323.412 1.129 0 40 DDAB CCC[C@@H]1NC(=O)N(Cc2ccc(Cn3cncn3)cc2)C1=O 97045651 LADJYMUPGZWQJV-AWEZNQCLSA-N 313.361 1.547 0 40 DDAB COc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2C)cc1OC 26845424 LUPYNLQDUIVVEP-NSHDSACASA-N 315.391 1.422 0 40 DDAB CC(=O)N1CCN(C(=O)NCc2cccnc2OC(C)C)CC1 48273656 QXRZSCBJBVBJDN-UHFFFAOYSA-N 320.393 1.243 0 40 DDAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2nccs2)CC1 57942950 BTMKGHXIZURAFY-GFCCVEGCSA-N 308.451 1.712 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1cnn(-c2ccccc2)n1 48263372 IIAUFPBEGMSZEK-ZDUSSCGKSA-N 300.362 1.766 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CCO1 25836732 SFENILZEBUJXJN-CYBMUJFWSA-N 317.389 1.473 0 40 DDAB COCCOCC(=O)N(C)CC(=O)Nc1cc(C)ccc1C 44868210 HFGNBJOJBMNEIM-UHFFFAOYSA-N 308.378 1.363 0 40 DDAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CN(C)c1cnccn1 58229764 BDUYPLMHYIUPTB-UHFFFAOYSA-N 323.360 1.645 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(C2CC2)CC1 58222823 CUQZPGKBVIBTKU-UHFFFAOYSA-N 311.385 1.966 0 40 DDAB Cc1c(O)ccc2c(CC(=O)NCCCC(=O)O)cc(=O)oc12 2103191 MALHCOJCXXDRNB-UHFFFAOYSA-N 319.313 1.331 0 40 DDAB biogenic C[C@H]1CO[C@H](C)CN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44909708 ZEJDRHLLMKDDMN-NWDGAFQWSA-N 318.373 1.586 0 40 DDAB COc1ccc(C(=O)OCC(=O)NCC(F)(F)F)c(OC)c1 3321320 QYYVPIVBSWMRKS-UHFFFAOYSA-N 321.251 1.539 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc32)o1 44933773 PANIBCBBUDKQSA-UHFFFAOYSA-N 322.342 1.227 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccnc(-n2cncn2)c1 58327926 AZUPNFGACZHFDX-CYBMUJFWSA-N 323.360 1.203 0 40 DDAB NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 36378511 FADDLBKJTNUMJA-MRXNPFEDSA-N 302.399 1.933 0 40 DDAB in-vitro Cc1cccc(OCCC(=O)NCc2nnc3n2CCC3)c1C 45340587 GOHPQAUWDPVQQE-UHFFFAOYSA-N 314.389 1.926 0 40 DDAB Cc1ccc([C@H](CNC(=O)[C@@H]2CCCO2)N2CCOCC2)o1 48325543 GXHNEHIDDDVSKR-ZFWWWQNUSA-N 308.378 1.257 0 40 DDAB C[C@H](NC(=O)Cn1ccccc1=O)c1nnc2n1CCCCC2 45897518 VSVJHZSTYZDLPZ-LBPRGKRZSA-N 315.377 1.044 0 40 DDAB CC(=O)N[C@@](C)(C(=O)N1CCC[C@H]1Cn1cc(C)cn1)C1CC1 70038914 CQSIAHBRXLYPAO-DOTOQJQBSA-N 318.421 1.487 0 40 DDAB O=C1C(Cl)=C(NCCO)C(=O)N1c1ccc(Cl)cc1 13534513 YQCZLORWOCSBLK-UHFFFAOYSA-N 301.129 1.246 0 40 DDAB Cc1ccc([C@@H](O)CN2CCO[C@H](Cn3cccn3)C2)cc1C 69372083 VGEOEZKZNAUNFM-ROUUACIJSA-N 315.417 1.934 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCCN(CC(=O)NCC(F)(F)F)C1 69370075 KUPAJQSBIJPTFG-NSHDSACASA-N 323.359 1.149 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@H](c2nncn2C)C1 69370710 KQNQAOIBGFVCEE-NSHDSACASA-N 301.350 1.239 0 40 DDAB Cc1nnc(CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)o1 69451842 LOUGZCMIPGOXSA-SNVBAGLBSA-N 318.381 1.517 0 40 DDAB CN(CCN1CCCC1)C(=O)C1CCN(c2cnccn2)CC1 69490864 JWVIMJQMQWVQHD-UHFFFAOYSA-N 317.437 1.247 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cccc(C(N)=O)c2)n1 69484695 SGXUDABUBBSZCS-INIZCTEOSA-N 313.405 1.658 0 40 DDAB COc1cn(CC(=O)N(C)Cc2ccccc2)c(CO)cc1=O 70666464 PSEATPSZFVMNNQ-UHFFFAOYSA-N 316.357 1.008 0 40 DDAB biogenic C[C@H](Sc1nnnn1C)C(=O)NC[C@H](C)c1ccccc1 14093621 SXAFREZQHZUWEN-QWRGUYRKSA-N 305.407 1.611 0 40 DDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c(C)s1 5318958 GCGWJPOTNWFFBW-UHFFFAOYSA-N 322.386 1.994 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H]1C 6409522 NZZQOIQMRLVXHF-UPJWGTAASA-N 321.421 1.792 0 40 DDAB CCc1[nH]c(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)c1C(=O)OC 14120807 JTMNQIHRAXLAJZ-VIFPVBQESA-N 322.361 1.496 0 40 DDAB Cc1nnc(S[C@H](C)C(=O)NC[C@@H]2CCCO2)n1C1CC1 14246536 HXKHWIMXALGSSR-SKDRFNHKSA-N 310.423 1.697 0 40 DDAB CCn1cc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cn1 14249534 GFMSCBBDMBYYJE-UHFFFAOYSA-N 322.390 1.340 0 40 DDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc[nH]1 6589079 AGLIYPHLLFABHT-SFHVURJKSA-N 323.352 1.981 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)N1CCC[C@@H](C)C1)c(=O)[nH]n2C 69509891 FFGPKRFSTIIZNV-SNVBAGLBSA-N 316.405 1.679 0 40 DDAB COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)OC)ccc21 69537782 GGLUKVSVNYIMRH-UHFFFAOYSA-N 318.373 1.807 0 40 DDAB Cc1ccnc(NC(=O)CN(C)C(=O)c2c[nH]c3ncccc23)c1 69669459 TWWYLQPPJCFEIT-UHFFFAOYSA-N 323.356 1.977 0 40 DDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1F 6844639 VZQGSYZTTNUZSN-NSHDSACASA-N 304.362 1.727 0 40 DDAB CCC[C@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15187344 GWHPXFNKLWYFCJ-NSHDSACASA-N 316.357 1.990 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)NCC(=O)NC2CC2)cc1 6989649 HFQODOSMEHSSAB-UHFFFAOYSA-N 318.373 1.443 0 40 DDAB CC(C)NC(=O)CS(=O)(=O)Cc1ccc(-n2cccn2)cc1 69737670 IVNPFYQGUWJGLE-UHFFFAOYSA-N 321.402 1.312 0 40 DDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O 7141026 YLMIKFVQIAQUTR-SGJFDWMWSA-N 304.755 1.302 0 40 DDAB CC(C)CS(=O)(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 69847284 XCLCZHXZMMJUGB-UHFFFAOYSA-N 322.390 1.369 0 40 DDAB Cc1nc2sccn2c1CNC[C@H]1CN(C2CC2)CCO1 69876075 RSQMREFWSZOWFF-ZDUSSCGKSA-N 306.435 1.657 0 40 DDAB NS(=O)(=O)c1ccc(-n2c(S)nnc2-c2ccco2)cc1 8739543 XDDPCLGNXUWEMM-UHFFFAOYSA-N 322.371 1.463 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCCSc2ccccc21 68259436 ZSUWWOOHXYEPTI-NSHDSACASA-N 311.428 1.950 0 40 DDAB CCc1ccccc1NC(=O)CN(C)CC(=O)NCCCOC 7736258 IGFLSBJUAKJENK-UHFFFAOYSA-N 321.421 1.272 0 40 DDAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 8877476 UTDZCGKHCYGVKO-LBPRGKRZSA-N 300.355 1.497 0 40 DDAB COc1c([C@H]2CCCN2C[C@H](O)Cn2cccn2)c(C)nn1C 72267596 GZBJFMDFFJSZKI-UONOGXRCSA-N 319.409 1.132 0 40 DDAB COc1ccc(OC)c(CNS(=O)(=O)[C@H]2CCO[C@H]2C)c1 97163916 QFKUIDOYQLIWHT-HZMBPMFUSA-N 315.391 1.301 0 40 DDAB Cc1n[nH]c(C)c1CNCCS(=O)(=O)Cc1ccccc1 97160131 XZEPOFYBZWHORM-UHFFFAOYSA-N 307.419 1.731 0 40 DDAB O=C(Cn1cnnn1)Nc1ccnn1Cc1ccccc1Cl 9530560 LBLCUJHYORGBHX-UHFFFAOYSA-N 317.740 1.210 0 40 DDAB CCn1cc(N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cn1 97139822 GXMRSLBFDKPLCK-LBPRGKRZSA-N 315.377 1.729 0 40 DDAB COc1ccc2c(c1)C[C@H](C(=O)NCc1cnn(C)c1)CO2 97152767 GYRUAOKIDKWRCA-ZDUSSCGKSA-N 301.346 1.296 0 40 DDAB Cc1nn(C)c(Cl)c1CNCc1ccc(OCC(N)=O)cc1 71837044 SUQPTNNRMPWWTM-UHFFFAOYSA-N 322.796 1.536 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O 83996169 RKFPAFVCILCWIZ-HONMWMINSA-N 320.389 1.674 0 40 DDAB CC(C)(C)c1noc(C[S@@](=O)Cc2cccc(C(N)=O)c2)n1 84325136 FMJRLOCBGIQZNG-JOCHJYFZSA-N 321.402 1.915 0 40 DDAB O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(Cl)c1 95349392 FPNSBRRMUPQWCD-CYBMUJFWSA-N 313.785 1.155 0 40 DDAB C[C@@H]1CN(CC(=O)N2CCCCC2)CCN1c1nccs1 95351813 WJEDZZIWYRZXDS-CYBMUJFWSA-N 308.451 1.666 0 40 DDAB CC(C)C(=O)c1ccc(S(=O)(=O)NCc2cnn(C)c2)cc1 95402870 VRPARKKTQUZOTA-UHFFFAOYSA-N 321.402 1.737 0 40 DDAB COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2ccccc2n1 27562571 IPLSJJFPEMZPBN-CYBMUJFWSA-N 301.346 1.222 0 40 DDAB O=C(CN1CCOCC1)Nc1cc(-c2cccc(F)c2F)n[nH]1 95996079 JHYFDWNIFDXSBE-UHFFFAOYSA-N 322.315 1.626 0 40 DDAB CC(C)(C)[C@H](NC(=O)c1n[nH]c2ccccc2c1=O)C(=O)O 95970083 OMXODDOGBYQTFL-GFCCVEGCSA-N 303.318 1.152 0 40 DDAB C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)C(C)(C)CO1 95987447 YXOVYZGUGRXBSI-GFCCVEGCSA-N 301.390 1.933 0 40 DDAB O=C1C[C@H](C(=O)NC2CCCC2)[C@H](C(=O)NC2CCCC2)C1 75109862 KYAXAACVGMSGQF-GASCZTMLSA-N 306.406 1.699 0 40 DDAB Cc1ccc([C@@H]2CN(CCN3C(=O)CNC3=O)CCO2)c(C)c1 89612109 LGNUBVDPVFKUCK-HNNXBMFYSA-N 317.389 1.229 0 40 DDAB CCOC(=O)C1=C(C)NC(NC#N)=N[C@H]1c1ccc(F)cc1 72448791 JSYRMLFZBXQJCI-ZDUSSCGKSA-N 302.309 1.734 0 40 DDAB O=S(=O)(c1cncc(Br)c1O)N1CCCC1 72210878 NGWQTCRGZJZLHN-UHFFFAOYSA-N 307.169 1.334 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 78706833 FPYBZMFBDLDMED-OAHLLOKOSA-N 318.421 1.292 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238235 WLAQCEHUDAEDFR-HOCLYGCPSA-N 304.390 1.667 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@@]1(COC)C(=O)O 218521531 MZCUCTNIHYFXLW-OUCADQQQSA-N 316.350 1.444 0 40 DDAB O=S(=O)(c1cccnc1)N1CC(c2n[nH]c3ncccc23)C1 72386079 XVJDNHPCMSXSKU-UHFFFAOYSA-N 315.358 1.141 0 40 DDAB O=C(O)C[C@@H]1NC(=O)N(c2cccc(OC(F)(F)F)c2)C1=O 218710569 HCXCGGYLEQSSEF-QMMMGPOBSA-N 318.207 1.485 0 40 DDAB Cc1cc(C(=O)N2CCN(C)CC2)nc(N2CCCCC2)n1 72239827 HKHKVYWRUIJOII-UHFFFAOYSA-N 303.410 1.163 0 40 DDAB COC(=O)CCNC(=O)CN1CCCc2cc(F)c(F)cc21 73616200 MDSXRWOTNOCXKR-UHFFFAOYSA-N 312.316 1.397 0 40 DDAB COc1ccc(CN2Cc3nc(N)ncc3C2=O)cc1OC 46087676 LAMAXIGAWQULJX-UHFFFAOYSA-N 300.318 1.232 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(N)=O)ccc32)cc1 223380270 GKSTUFRTUVYZIX-UHFFFAOYSA-N 316.382 1.845 0 40 DDAB O=C1CC(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)C1 568381869 RNZGYSLLAPBAHN-UHFFFAOYSA-N 317.267 1.953 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCC(C)C)s1 225235473 WCUGRRIWYRWZRD-UHFFFAOYSA-N 306.413 1.211 0 40 DDAB Cc1cc(C(=O)N2CCCCCCC2)c2c(=O)[nH]n(C)c2n1 42025376 YBXFHDGPJAISHM-UHFFFAOYSA-N 302.378 1.976 0 40 DDAB NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2ccc(F)cc21 575234798 MEZYGVJSRGBIQZ-LLVKDONJSA-N 300.293 1.132 0 40 DDAB Cn1cc(C[C@H]2[C@H](O)CCN2C(=O)Cc2ccsc2)cn1 96200183 PREBYERYYXHGJG-UONOGXRCSA-N 305.403 1.229 0 40 DDAB c1cnc(N2CCCn3nnc(COCC4CC4)c3C2)nc1 96258985 WFSUQXWCYIQAFH-UHFFFAOYSA-N 300.366 1.405 0 40 DDAB Cc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)oc1C 96443368 HAMMUKNAGUQXCZ-UHFFFAOYSA-N 307.375 1.502 0 40 DDAB COC[C@@H]1c2nnn(C)c2CCN1C(=O)c1ccc(C)s1 96198470 NXMTVOURDCITQD-LLVKDONJSA-N 306.391 1.571 0 40 DDAB CN(CCOc1cccc(F)c1)C(=O)C[C@@H]1CSCCN1 91136514 GZNPVHOKJHXEGB-CYBMUJFWSA-N 312.410 1.758 0 40 DDAB CS(=O)(=O)NC[C@H]1CC12CCN(Cc1nccs1)CC2 96238305 AKYCCPCJGSDYIV-LLVKDONJSA-N 315.464 1.294 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(CC2CCOCC2)C1 96057667 IYDKPOZVRSZYHK-NUEKZKHPSA-N 308.422 1.171 0 40 DDAB CCOC[C@H]1CN(CCN2CCCCC2)Cc2ncn(C)c21 96068628 CZPBQRDYSOEBTH-OAHLLOKOSA-N 306.454 1.842 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)cc1 96062924 GQOMAKKFLJDNNT-UHFFFAOYSA-N 316.401 1.709 0 40 DDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2CC2CCOCC2)O1)N1CCCO1 96065390 HVVRYVDLHNAPFN-OAGGEKHMSA-N 324.421 1.199 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414062 SJQWPRFDIUFEPM-NSHDSACASA-N 318.270 1.648 0 40 DDAB Cc1nnc(N2CCC[C@@]3(CN(Cc4ccoc4)CCO3)C2)o1 96049190 CFMAUODRGCGEEG-MRXNPFEDSA-N 318.377 1.842 0 40 DDAB COCCN1C[C@@H](COC)C2(CCN(c3ncccn3)CC2)C1 247915677 ZGIOVHRZYICAPF-HNNXBMFYSA-N 320.437 1.288 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC2(CN(Cc3nccs3)C2)OC1 248163315 MZKFBCWJJKVZQZ-ZDUSSCGKSA-N 323.462 1.896 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 242495728 GOFMPXOHXQZUAS-MGPQQGTHSA-N 301.383 1.318 0 40 DDAB CNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1OC 257230146 GAZZRLIPYSCCSB-CJNGLKHVSA-N 320.389 1.367 0 40 DDAB Cc1noc(CNC(=O)c2cccnc2O[C@H]2CCSC2)n1 252492742 MUVSIOBGGFBGPG-JTQLQIEISA-N 320.374 1.587 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3coc(C)n3)CCO2)ncn1 257339257 ZAYQRRYAHXBTGO-AWEZNQCLSA-N 316.361 1.555 0 40 DDAB Cc1cccc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)n1 257333965 YDXRDMVMECSPFX-INIZCTEOSA-N 312.373 1.889 0 40 DDAB Cc1nnsc1C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 252494689 OBVWYAZOVOCMBM-CYBMUJFWSA-N 316.386 1.802 0 40 DDAB O=C(C1CC1)N1CCC(Nc2nnnn2-c2ccccc2)CC1 43537257 PKHXDXIAHWCVPZ-UHFFFAOYSA-N 312.377 1.475 0 40 DDAB Cc1nccc(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)n1 257211757 CAHCULXNAGPSOA-GXTWGEPZSA-N 302.378 1.258 0 40 DDAB COCC(=O)N1CCC[C@H](c2cncc(-c3cc(C)n[nH]3)n2)C1 257327059 WZSGBEDNQCSHKV-LBPRGKRZSA-N 315.377 1.528 0 40 DDAB Cc1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)on1 257328400 XFLMXZUFUSXZFO-MRXNPFEDSA-N 316.361 1.139 0 40 DDAB O=C(Cc1cccnc1)NCc1cnc([C@@H]2CCCCO2)nc1 257261979 LJNJUKJYNIWYTO-HNNXBMFYSA-N 312.373 1.972 0 40 DDAB Cc1ccc2nc(CN3CCCC[C@@H]3CCN)cc(=O)n2c1 262020003 XNBNRYIKMFIEEP-OAHLLOKOSA-N 300.406 1.706 0 40 DDAB CCN1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585288695 HVJHTVWIEHSINR-RCCFBDPRSA-N 304.434 1.985 0 40 DDAB COCCn1cc(NC(=O)c2cn3c(n2)CC[C@H](C)C3)cn1 585141075 PGHQAWNDHKFGLJ-NSHDSACASA-N 303.366 1.561 0 40 DDAB O=C1CCCN1CCCC(=O)N1CCO[C@@H](c2ccncc2)C1 585180253 ZFILHIXWSRGGFF-OAHLLOKOSA-N 317.389 1.384 0 40 DDAB CC(C)c1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)[nH]1 681224115 ZATOXOUKCAMMBT-SECBINFHSA-N 301.368 1.018 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCC[C@H]43)cc12 56195686 GPGFWHKEUIKSGU-ZIAGYGMSSA-N 300.362 1.670 0 40 DDAB Cc1ccccc1OCC(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522427 PPTGIJPHVCRULK-MRXNPFEDSA-N 318.417 1.697 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cnn(C)c2)C1 681289560 KWULDOVZWIICRW-LBPRGKRZSA-N 324.406 1.593 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCc1nc(C(C)(C)C)n[nH]1 1548485582 GLSVDGRZXHLBHS-UHFFFAOYSA-N 304.398 1.311 0 40 DDAB COc1cc(OC)cc(-n2c(NN)nc3ccccc3c2=O)c1 15424499 TXWOCZFOVPVRML-UHFFFAOYSA-N 312.329 1.689 0 40 DDAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccccc1F 17055202 XHSXIGAWLHPGST-SWLSCSKDSA-N 320.364 1.695 0 40 DDAB C[C@@H](Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C)C1CCCCC1 17420202 IMFSIJNLGXRZLW-SNVBAGLBSA-N 320.393 1.318 0 40 DDAB O=C(C1CCC1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 19341568 ZQCOYOOGJJFUBH-AWEZNQCLSA-N 312.377 1.526 0 40 DDAB O=C(Cn1ccnc1[C@H](O)c1ccccc1)NC[C@@H]1CCCO1 154843896 IACVTPGTEMPCFZ-GOEBONIOSA-N 315.373 1.260 0 40 DDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OCC(C)C)cc1 4332749 RTJHPEXGQYKHBP-NSHDSACASA-N 322.361 1.722 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2noc(C)n2)nn1 1888843777 NVGMOBMMYGJVHY-PBWFPOADSA-N 318.381 1.484 0 40 DDAB CC(C)(C)c1cn2nc(C(=O)NC[C@@H]3CCCO3)ccc2n1 1888854235 NAJUFDWVGVQJTE-NSHDSACASA-N 302.378 1.936 0 40 DDAB O=S(=O)(c1cccc2cccnc12)N1CC(n2nccn2)C1 1849489578 WOJARLVUVHKQRU-UHFFFAOYSA-N 315.358 1.072 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N(C)Cc2ccsc2)CC1 28421552 BYNORITZJXNTPM-UHFFFAOYSA-N 324.450 1.100 0 40 DDAB CCc1cnc(N2CC[C@@H](COc3ccc4nccn4n3)C2)nc1 2087022450 QDQQPSIMVOBYCO-CQSZACIVSA-N 324.388 1.987 0 40 DDAB COc1cc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)on1 1565547829 ODBMVGZONAFMAQ-JSGCOSHPSA-N 323.393 1.255 0 40 DDAB O=C(COc1ccccc1F)NCC1(N2CCOCC2)CCC1 1775973282 DQBUQXIHLPMHTA-UHFFFAOYSA-N 322.380 1.576 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@H](CCO)c1cccs1 575605685 CWFCECQWIWIZLO-LLVKDONJSA-N 323.418 1.776 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)C1 20018913 WWZGUDTZGYXSIZ-SECBINFHSA-N 316.354 1.913 0 40 DDAB CN(CC(=O)NC[C@H](O)c1ccc(F)c(F)c1)c1cnccn1 31294027 LOADROMHAPAPNC-ZDUSSCGKSA-N 322.315 1.041 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 40510921 BBYHBJAGEIIHKT-QWHCGFSZSA-N 300.424 1.273 0 40 DDAB CN(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 44364 RTNOYEILCYZTIF-UHFFFAOYSA-N 323.352 1.987 0 40 DDAB CCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 358642 WVGAJTIIUDRWDC-UHFFFAOYSA-N 313.361 1.445 0 40 DDAB biogenic Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1 417618 RRYVXNGACGGMLG-UHFFFAOYSA-N 303.391 1.685 0 40 DDAB COC(=O)c1ccoc1COC(=O)[C@@H](C)NC(=O)c1ccco1 32894905 KBNCKMWWYRDFFD-SECBINFHSA-N 321.285 1.521 0 40 DDAB Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)nc2)no1 32889636 JHPOIXZYUOJLEO-UHFFFAOYSA-N 317.349 1.536 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)Cc1coc(-c2ccccc2)n1 32836734 TUQVNGAQVFJYIX-GFCCVEGCSA-N 315.373 1.915 0 40 DDAB COc1cccc([C@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)c1OC 3849201 KNJCOIITJWUYDR-CMPLNLGQSA-N 303.318 1.115 0 40 DDAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccncc1)C(=O)C2 4937406 DFGKUIDBMLTEDT-CZUORRHYSA-N 322.430 1.896 0 40 DDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCCO1 32925220 LOIHIFVOPDDZIK-SNVBAGLBSA-N 304.268 1.818 0 40 DDAB Cc1cc(C)n(CCCNC(=O)c2cc3c([nH]c2=O)CCC3)n1 84104699 GQLYCCLKMPJBJW-UHFFFAOYSA-N 314.389 1.497 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2cccs2)CC1 21930043 JEXYFVZLUZVLQR-UHFFFAOYSA-N 303.387 1.394 0 40 DDAB CCn1nccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 2766925 KHDOFCDTNKHXMR-UHFFFAOYSA-N 302.334 1.094 0 40 DDAB CCCN(CCO)CC(=O)Nc1ccc2c(c1)CCN2C(C)=O 53094419 SKWMJJYZVUPXQJ-UHFFFAOYSA-N 319.405 1.238 0 40 DDAB CC(C)(C)c1nc(CN[C@H]2CCCN(c3cccnn3)C2)no1 69738884 MKBCGQRPHLMOGF-LBPRGKRZSA-N 316.409 1.916 0 40 DDAB Cc1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)ccc1F 69707698 UXNQCWKFFXWZNA-CYBMUJFWSA-N 312.410 1.993 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H](CN2CCOCC2)C1 69746385 PLQYNPXRVDNKDF-CYBMUJFWSA-N 318.421 1.472 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCC[C@H](C)C3)nc2n1 47147820 BTCNHCJBPRHZKX-NSHDSACASA-N 316.409 1.203 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2O[C@@H](C(=O)NCC3CC3)C[C@@H]21 107198095 FSZFKXKAPWNXQT-HRCADAONSA-N 319.405 1.549 0 40 DDAB CS(=O)(=O)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 42279156 BTZAQONVJVZCIK-NSCUHMNNSA-N 303.723 1.158 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 26439473 GUMLQMBJLFRNDQ-HNNXBMFYSA-N 309.454 1.184 0 40 DDAB O=C(NCc1cn[nH]n1)[C@@H]1CCCCN1C(=O)c1ccccc1 97013694 JTOCTZXDNNHHRL-AWEZNQCLSA-N 313.361 1.116 0 40 DDAB S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCOCC1 23995244 DHCCLRZORTXZOD-UHFFFAOYSA-N 321.358 1.891 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cnn(C)c1 24477844 ATZWWOWIFQOCIB-UHFFFAOYSA-N 321.402 1.486 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]2C1=O)C31CC1)c1ccccc1 100660598 AAIVVQDGLIMYBQ-XDQVBPFNSA-N 308.337 1.529 0 40 DDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1 24685848 AQAIKKCCKNYCND-CQSZACIVSA-N 310.419 1.593 0 40 DDAB NC(=O)c1ccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1 106180110 PSELJUXINLIIPE-ILXRZTDVSA-N 301.390 1.404 0 40 DDAB C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 24961568 VJEOCKIJPSAHQF-ZDUSSCGKSA-N 310.419 1.566 0 40 DDAB CCCN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C 78710657 UICNHKSSTZSEMJ-UHFFFAOYSA-N 300.834 1.954 0 40 DDAB CN1N=C(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)CCC1=O 55999401 GYTGEPJXKZRFNL-CQSZACIVSA-N 317.364 1.967 0 40 DDAB CCn1cc(NC(=O)NCCc2ccc3c(c2)OCO3)cn1 43645632 PAQRTGVOTMOHPF-UHFFFAOYSA-N 302.334 1.996 0 40 DDAB C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1C[C@H]2CC[C@H]1C2 107314934 QJHMXHMLOUVEGN-VPOLOUISSA-N 312.391 1.482 0 40 DDAB CN1[C@H](Cc2ccccn2)[C@H](O)c2ccccc2S1(=O)=O 35385064 VZYKVXKJYWQTMQ-UKRRQHHQSA-N 304.371 1.360 0 40 DDAB CCc1cnc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)s1 97058317 ZLDFJLUXEQQRRR-JTQLQIEISA-N 322.434 1.516 0 40 DDAB Cc1cc(CN2CCN(CCNC(=O)c3ccco3)CC2)no1 27280517 YGOLDXAWYUDMHF-UHFFFAOYSA-N 318.377 1.124 0 40 DDAB CCc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1 58026714 UPUMCPBGXAUKIH-UHFFFAOYSA-N 307.375 1.939 0 40 DDAB O=C(CCNC(=O)Nc1ccccc1)NC1CCC(O)CC1 10031433 KDQHFYXGBSHCRJ-UHFFFAOYSA-N 305.378 1.618 0 40 DDAB CN1CCO[C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)C1 58108903 LZSPSFJCNQEJMU-OAHLLOKOSA-N 322.430 1.224 0 40 DDAB COC[C@H](C)NC(=O)COc1ccc(C(=O)OC)cc1Cl 48264659 SNSPNWAQDIGWSF-VIFPVBQESA-N 315.753 1.657 0 40 DDAB Nc1nccnc1C(=O)OCC(=O)N(C1=CCCCC1)C1CC1 44868808 BZPUOYUQZUVYRO-UHFFFAOYSA-N 316.361 1.665 0 40 DDAB C[C@@H](C(=O)NCCS(=O)(=O)Cc1ccccc1)n1ccnc1 48253345 ZBWCBVALRSBUBC-ZDUSSCGKSA-N 321.402 1.175 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C)COCC(F)(F)F)cn1 58210229 YIEOORUIPCNWBJ-SECBINFHSA-N 321.299 1.857 0 40 DDAB CC1CCN([C@@H](CNC(=O)NCCO)c2cccs2)CC1 44966283 AEENHTIBDJOBGM-ZDUSSCGKSA-N 311.451 1.813 0 40 DDAB C[C@H]1COCCN1C(=O)CCc1nc(-c2cccnc2)no1 44913768 NASHVQNZCXIMOV-NSHDSACASA-N 302.334 1.312 0 40 DDAB Cc1cc2n(n1)C[C@@H](CNC[C@H](CO)Cc1ccccc1)CN2 58329506 XLBCXJRCWRQPLY-SJORKVTESA-N 314.433 1.674 0 40 DDAB CN1CCN(CCNC(=O)C2CCC2)[C@H](c2ccccc2)C1 36437891 FAJXAKCURBXTSQ-KRWDZBQOSA-N 301.434 1.891 0 40 DDAB Cn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)cn1 69817880 BSAWFUGHURJAKW-GJZGRUSLSA-N 321.402 1.699 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NOCc2ccccc2)c1 3410597 WEBVGKZVLZQEJS-UHFFFAOYSA-N 307.327 1.795 0 40 DDAB O=c1c(Cl)c(N2CCOCC2)cnn1Cc1ccccc1 3426387 GLIFLZGXROZXFL-UHFFFAOYSA-N 305.765 1.782 0 40 DDAB COCC(=O)OCC(=O)Nc1ccccc1Br 3525411 BKFVEULGFQQXON-UHFFFAOYSA-N 302.124 1.577 0 40 DDAB Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)c1 13002028 IGAGEVQCQGDJTG-UHFFFAOYSA-N 312.322 1.972 0 40 DDAB C=Cn1c(N(CCCC)CCCC)nc2c1c(=O)[nH]c(=O)n2C 13511800 HPQWYHHWPLAQLX-UHFFFAOYSA-N 319.409 1.930 0 40 DDAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccncc2)CC1 4222950 DNCDPOMEHCNKSV-ZDUSSCGKSA-N 321.377 1.760 0 40 DDAB O=C(NCc1nnc2n1CCC2)NC1(c2ccccc2F)CC1 77536232 ATWDIWSJWYXHDN-UHFFFAOYSA-N 315.352 1.852 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccnc(Cl)c1 13718833 QFYKLCRBDMNMLE-LBPRGKRZSA-N 319.748 1.523 0 40 DDAB CCN(CC)CCCNCc1ccc2c(c1)n(C)c(=O)n2C 13734414 IWAOJJKXLSYCBM-UHFFFAOYSA-N 304.438 1.699 0 40 DDAB O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCOCC1 71792355 NWMBTDLUCPZJCQ-INIZCTEOSA-N 316.401 1.834 0 40 DDAB COc1ccc(NC(=O)NCCC(=O)O[C@H]2CCOC2=O)cc1 14172535 WOAYQSZTKXIWTG-LBPRGKRZSA-N 322.317 1.066 0 40 DDAB NC(=O)CCN(C(=O)CN1CCCCC1)c1ccc(F)cc1 14141245 XWAAHJTXTDNALA-UHFFFAOYSA-N 307.369 1.520 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCCN1CCC[C@H](C)C1 4968828 ZCPQHJPLJVKIHI-NSHDSACASA-N 315.439 1.692 0 40 DDAB CC[C@H](CO)NC[C@H](O)COc1cccc(Br)c1 5950377 ABLMDJKBDHGMKE-NEPJUHHUSA-N 318.211 1.549 0 40 DDAB CC(C)CNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 9227415 YGJZNMJKCPHMJP-UHFFFAOYSA-N 316.398 1.360 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(CCO)CC1 68517323 GSTBXDYCZZLXNH-CQSZACIVSA-N 315.417 1.657 0 40 DDAB O=C(c1ccc2c(c1)CCC2)N1CCN(c2ncccn2)CC1 7889133 KBFAUKPLGGAITQ-UHFFFAOYSA-N 308.385 1.928 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1F 7985611 CZGMNPABFUPKIY-UHFFFAOYSA-N 301.277 1.894 0 40 DDAB NC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8074267 MMYOAJSKVGDYOI-SNVBAGLBSA-N 318.362 1.036 0 40 DDAB CC(=O)Nc1cccc(C(=O)Nn2cnc3ccccc3c2=O)c1 9364484 WRLKAUYBNUGJLH-UHFFFAOYSA-N 322.324 1.739 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@H](C)OCc2ccccc2)CC1 70008674 QAEBXWCEQIZQSE-DOTOQJQBSA-N 320.433 1.507 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1 69304527 SRPMVCPZYOBMPC-CYBMUJFWSA-N 304.346 1.153 0 40 DDAB O=C(NCCCN1CCCC1)c1nc2ccccc2c(=O)[nH]1 69420212 RURBWKORESXTJP-UHFFFAOYSA-N 300.362 1.139 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H](C)CC)CC2)n1 69565189 GFYWSUPUMCABGJ-GFCCVEGCSA-N 306.410 1.878 0 40 DDAB O=C(CNc1ccc(F)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 9578806 UKDOQBWDBRCPQA-VIFPVBQESA-N 320.773 1.194 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1COc3ccccc3C1)C2 72278947 NAYYVJBQIIPLAZ-GJZGRUSLSA-N 311.385 1.874 0 40 DDAB CCCNC(=O)CCNC(=O)[C@@H](C)Oc1ccc(OC)cc1 72006123 UCZZDZDSOLYHAY-GFCCVEGCSA-N 308.378 1.495 0 40 DDAB NC(=O)NC[C@H]1CCCCN1C(=O)Cc1c(F)cccc1F 87241808 JOJPNSOGMBBZID-SNVBAGLBSA-N 311.332 1.557 0 40 DDAB CCc1nc(CN(C)c2ncnc3c2cnn3CCO)cs1 97199932 TULVINQITUTHAJ-UHFFFAOYSA-N 318.406 1.474 0 40 DDAB O=C(CNC(=O)[C@H](C1CC1)N1CCCC1)Nc1cccnc1 97376426 HBPRLQJZTAWMMA-HNNXBMFYSA-N 302.378 1.011 0 40 DDAB NC(=O)CNC(=O)CCc1cc(Cl)ccc1Br 79542798 JFBYOTZNTRIGEO-UHFFFAOYSA-N 319.586 1.637 0 40 DDAB C[C@@H](COc1cccc(F)c1)NC(=O)NCC[S@@](C)=O 95398062 LVEVXQUVUKZLGO-FVINQWEUSA-N 302.371 1.271 0 40 DDAB CC1(C)Cc2cc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)ccc2O1 84656760 CTZWVGYLFGMLKK-GFCCVEGCSA-N 324.402 1.039 0 40 DDAB CCCCn1nnnc1CN1CCc2c(nc(C3CC3)n2C)C1 84750126 QSZVZUTWYVZROG-UHFFFAOYSA-N 315.425 1.642 0 40 DDAB CCCN(C)S(=O)(=O)NC(=O)/C=C(\C)c1ccc(F)cc1 98056562 HOVTYGQNFDCVHO-ZHACJKMWSA-N 314.382 1.932 0 40 DDAB O=C(CC1(O)CCCC1)N[C@H]1CCN(c2ccccc2F)C1=O 73613654 CHSIUKRJKTVZMV-ZDUSSCGKSA-N 320.364 1.742 0 40 DDAB CC[C@@](C)(NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)O 95969987 RECCKHXDFDJLBZ-OAHLLOKOSA-N 309.318 1.450 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3c(C)noc3C)CC2)on1 95940175 IREXMEDCLBFJFE-UHFFFAOYSA-N 304.350 1.546 0 40 DDAB C[C@H]1CN(C(=O)CCc2cccs2)CCN1S(C)(=O)=O 95989056 FWROCSPOZVCAOJ-NSHDSACASA-N 316.448 1.173 0 40 DDAB Cc1nc(CCSc2nnnn2C[C@@H]2CCCO2)cs1 95981502 HFBIXRIPVDOQKF-NSHDSACASA-N 311.436 1.952 0 40 DDAB O=S(=O)(C[C@H]1CCCN1)c1ccc(Br)cc1 74201601 AHHYRJGYHUBZDF-SNVBAGLBSA-N 304.209 1.975 0 40 DDAB COc1c(C)cnc(CN2CCO[C@H](Cn3cncn3)C2)c1C 75133037 LAJODPHXDXBGHP-AWEZNQCLSA-N 317.393 1.200 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCC(N2CCN(C)C2=O)CC1 75131545 BSPFWSTXKCPUSR-NSHDSACASA-N 319.409 1.840 0 40 DDAB COCc1nccc([C@H]2CCCN(Cc3nnc(C)o3)C2)n1 89736352 DPEXCNULYPTLMW-LBPRGKRZSA-N 303.366 1.694 0 40 DDAB Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc(F)c2)n1 89756673 VRMWZEWQJIHSDN-ZDUSSCGKSA-N 316.336 1.861 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89835000 QSDODDLEAUSGME-IRXDYDNUSA-N 324.384 1.202 0 40 DDAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(CO)o1 89948950 ZPQHQDKSVZIFJN-LRDDRELGSA-N 306.406 1.899 0 40 DDAB C[C@H](NC(=O)c1nccnc1N)c1cn(-c2ccccc2)nn1 89913502 JWNNPVAUDYOIHN-JTQLQIEISA-N 309.333 1.131 0 40 DDAB CC(C)(C)n1cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cn1 556176875 FHAWIOYXEKNSGI-UONOGXRCSA-N 311.451 1.790 0 40 DDAB CN(C)C(=O)c1cn[nH]c1[C@@]1(C)CCCN(Cc2ncc[nH]2)C1 72388717 HEYZYXOEKAEIBR-INIZCTEOSA-N 316.409 1.388 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl 38020901 JCKVHUYPWFEJPP-UHFFFAOYSA-N 309.746 1.964 0 40 DDAB CCC[C@H]1c2cccn2CCN1S(=O)(=O)c1cn(C)cn1 72368807 DGNJMDNDGAFUTB-ZDUSSCGKSA-N 308.407 1.767 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1coc2ccccc2c1=O 72324828 FHHUJWKASGMLKV-BPLDGKMQSA-N 314.385 1.432 0 40 DDAB CC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(C(N)=O)c2)n1 72379409 QUCYFKXSJSEQGP-HNNXBMFYSA-N 310.357 1.926 0 40 DDAB O=S(=O)(NC1CCN(Cc2ccccc2F)CC1)C1CC1 369676840 ADNSMMGEHLPRAX-UHFFFAOYSA-N 312.410 1.872 0 40 DDAB CCN1CCc2ccc(NC(=O)N[C@@H](C)Cn3cncn3)cc21 79028800 KOWMWFICMZFPJA-LBPRGKRZSA-N 314.393 1.871 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 32266525 UNZHQFGXDPQFTI-OAHLLOKOSA-N 318.398 1.322 0 40 DDAB Cc1c(C(=O)N2CCO[C@](C)(C(N)=O)C2)oc2ccccc12 72379668 INBOWUWCUZZCLA-INIZCTEOSA-N 302.330 1.458 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC(c3ccccn3)CC2)CC1 72367458 WPVKUQVPDMAQOR-UHFFFAOYSA-N 317.433 1.634 0 40 DDAB CN(c1ccc2nnc(-c3ccsc3)n2n1)C1CC(N)C1 563663892 OJXYMNWHVPPTIL-UHFFFAOYSA-N 300.391 1.779 0 40 DDAB O=S1(=O)CCC[C@@H](NC2CCN(Cc3ccccn3)CC2)C1 329140091 FPYWMWIDTSXHKB-MRXNPFEDSA-N 323.462 1.213 0 40 DDAB Cc1cccc(CC(=O)NCCCc2cnc3ncnn3c2)c1 225641469 REAIKOZBEKJAMS-UHFFFAOYSA-N 309.373 1.724 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 47021361 OSINXCCAYUIXAS-NSHDSACASA-N 320.780 1.819 0 40 DDAB COc1cn(C)c(C(=O)Nc2nnc(C(C)C)s2)cc1=O 49546430 SJVGLHHBILGNHA-UHFFFAOYSA-N 308.363 1.621 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(OC)cc1)CC2 96206123 LXCYPBQRVATNEM-MRXNPFEDSA-N 318.417 1.670 0 40 DDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(CCC(C)C)CC2)O1 96263048 IJSBKCDOGYOKFC-CQSZACIVSA-N 320.437 1.365 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccsc2)Cc2nnn(C)c21 96198511 CYICWFOAWCAORP-LLVKDONJSA-N 306.391 1.192 0 40 DDAB O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCc2ccccc21 97236389 ZCAZJMDIMLYCLX-WBMJQRKESA-N 313.401 1.984 0 40 DDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)N(C)C)CC2 96062259 XQTKKPHRQPDYER-LBPRGKRZSA-N 309.410 1.160 0 40 DDAB CC(C)[C@H](C(=O)NCCn1cnnc1C1CC1)N1CCCCC1 96412670 GGFPWMNCLVZLOQ-OAHLLOKOSA-N 319.453 1.782 0 40 DDAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccno1 239808052 KFDSJOXZEXUPKZ-UHFFFAOYSA-N 305.313 1.250 0 40 DDAB COC(=O)c1ccc(=O)n(Cc2csc(-c3ccoc3)n2)n1 96416361 OIZXKZFKIFLEDF-UHFFFAOYSA-N 317.326 1.795 0 40 DDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1 96110022 FLNSVYWRXYKVRL-IUODEOHRSA-N 309.435 1.425 0 40 DDAB O[C@@H](COc1ccc(Cl)c2cccnc12)CN1CCOCC1 95439027 OOOCMTFLAPTGMT-GFCCVEGCSA-N 322.792 1.960 0 40 DDAB CCCNC(=O)c1ccccc1-n1cc(CNC(C)=O)cn1 257278299 OBRODJXZQUBGMZ-UHFFFAOYSA-N 300.362 1.648 0 40 DDAB O=C(CC1CCOCC1)N1CCOC[C@@H]1CCc1cnccn1 257275374 NPBPOQNFFJUTSD-INIZCTEOSA-N 319.405 1.453 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2ccc(-c3ccnn3C)nc2)C1 257286630 PMHMIKACVNVANW-AWEZNQCLSA-N 314.389 1.520 0 40 DDAB O=C(COc1cccnc1)N[C@@H]1CCCN(c2ccccn2)C1 257224249 FAYFTRKQNXTXPJ-CQSZACIVSA-N 312.373 1.641 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)n1 257298072 RJZWCLADEJFKPW-AWEZNQCLSA-N 301.394 1.704 0 40 DDAB Cc1nc(CN(C)C(=O)c2cnc3c(cnn3C(C)C)c2)no1 272658021 HDMKOFXGLCTPTO-UHFFFAOYSA-N 314.349 1.976 0 40 DDAB COCCNC(=O)C(=O)NCCCc1cc2ccccc2o1 390828480 BEWUUYUQTGBXEL-UHFFFAOYSA-N 304.346 1.244 0 40 DDAB O=C(CC1CC1)NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575405857 KDPQYPWYAOTDBP-CQSZACIVSA-N 320.433 1.710 0 40 DDAB O=C(N1CCCn2c(CN3CCCC3)nnc2C1)C1(F)CCC1 585110546 CACGERIHAFJZGV-UHFFFAOYSA-N 321.400 1.498 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)C2CCC(F)(F)CC2)[C@@H]1O 585286137 JOYKFWVDQXBPJC-UTUOFQBUSA-N 307.337 1.045 0 40 DDAB O=c1ccnc2sc(NC[C@@H]3Cc4ccccc4O3)nn12 69161069 GZIJNNZRPWCFOF-JTQLQIEISA-N 300.343 1.567 0 40 DDAB Cn1nc(Br)c2c(NCCn3cccn3)ncnc21 69895296 ALSKTJADLSLMTM-UHFFFAOYSA-N 322.170 1.434 0 40 DDAB Cc1cc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c[nH]c1=O 95975691 DVYWJFBIVCQCBI-GFCCVEGCSA-N 313.361 1.479 0 40 DDAB Nc1cc2c(nn1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2 75128903 OKXFPCZYINGGTH-UHFFFAOYSA-N 307.357 1.668 0 40 DDAB CN(C[C@@H]1CCS(=O)(=O)C1)c1cncc(Br)c1 96429558 NQDQYADFPVTKFG-VIFPVBQESA-N 319.224 1.715 0 40 DDAB O=c1[nH]ccn(-c2cccc(Cl)c2Br)c1=O 1888920838 OSLYROULDJHGFO-UHFFFAOYSA-N 301.527 1.942 0 40 DDAB O=C(Nc1ccc(Cl)c(Cl)c1)n1ccc(=O)[nH]c1=O 5749570 IYGBMWBMHADMDO-UHFFFAOYSA-N 300.101 1.924 0 40 DDAB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 169617535 GZMDFKKLXHSWDH-CZAMWMTLSA-N 313.309 1.608 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1ccccc1C(F)(F)F 107286623 BQKKJMMHRFRISF-AUTRQRHGSA-N 303.280 1.567 0 40 DDAB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1C1CC1 4309266 SKGILVZCOAWGCF-UHFFFAOYSA-N 303.362 1.953 0 40 DDAB O=C([C@@H]1CN(c2ncnc3c2CCC3)CCO1)N1CCCCC1 1888835116 SWOVRSFSQXEVBL-HNNXBMFYSA-N 316.405 1.183 0 40 DDAB O=C1CCCN1CCN1CCC[C@H](COc2ncccn2)C1 1848967986 RAADKPZLCJZCJH-AWEZNQCLSA-N 304.394 1.190 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN(C(C)C)C(C)C)nc2n1 27457271 RTQOIGSGNBBXDU-UHFFFAOYSA-N 318.425 1.590 0 40 DDAB COCCOc1cc(C(=O)N2CCCC[C@H]2C(=O)OC)ccn1 253470945 AGNHNYBYKYZBPO-ZDUSSCGKSA-N 322.361 1.275 0 40 DDAB CCOC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 4268635 KKOYWVOJSFZVLI-UHFFFAOYSA-N 312.329 1.454 0 40 DDAB COc1ccccc1C(=O)Nc1nnc(SCC(N)=O)s1 4328240 FWUXGESTVSNXCK-UHFFFAOYSA-N 324.387 1.376 0 40 DDAB CCOC(=O)Cc1nc2ccccc2nc1CC(=O)OCC 15109344 NIZVZHVKLAXPLH-UHFFFAOYSA-N 302.330 1.841 0 40 DDAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccco1 217979082 RDFGLZAMVXGUSW-GFCCVEGCSA-N 314.297 1.730 0 40 DDAB O=C1NCCN1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225677621 SAODKVLTPHKMAR-LLVKDONJSA-N 303.318 1.350 0 40 DDAB Cc1ccccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 43979453 IVVVYPYYTVOGHW-UHFFFAOYSA-N 310.419 1.396 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N1CC(Nc2cccnn2)C1 585148816 HZWUNXBXLVHMEM-UHFFFAOYSA-N 320.755 2.135 0 40 DDAB O=C1NCCC[C@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 2298028271 XTSQDAFZVBTIAN-CQSZACIVSA-N 308.809 1.902 0 40 DDAB COc1nc(OC)nc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298180906 DMUPMTORYDFNKQ-JTQLQIEISA-N 323.397 1.020 0 40 DDAB O=C1NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc21 5234614 ZVCFOQWJHQDRJJ-UHFFFAOYSA-N 302.311 1.371 0 40 DDAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 6846028 QKTGECBOBFPOAE-NJAFHUGGSA-N 318.417 1.849 0 40 DDAB biogenic O=C(O)CN1CCN(C(=O)c2c(F)cccc2Cl)CC1 20180578 MGCSYGYECWCREF-UHFFFAOYSA-N 300.717 1.322 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H](O)COc1ccccc1 40514211 YGRPIAPJNMFDEJ-SNVBAGLBSA-N 307.375 1.270 0 40 DDAB CC(C)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1 40522297 WLRJRSLJOVCLKR-OAHLLOKOSA-N 306.410 1.374 0 40 DDAB Cc1c(C)n(CCCO)c2ncn(Cc3ccncc3)c(=N)c12 101463554 RWVJNNUSRXOXMZ-UHFFFAOYSA-N 311.389 1.760 0 40 DDAB CCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 41971 FTJWLLBKZHBSLU-UHFFFAOYSA-N 316.386 1.736 0 40 DDAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)NC(N)=O 2655895 QRHFYHRIKMQHMW-QMMMGPOBSA-N 302.286 1.286 0 40 DDAB COC(=O)C[C@]1(C(=O)OC)Nc2ccc(Cl)cc2C(=O)O1 1734560 QIVWIMBRVLATCY-ZDUSSCGKSA-N 313.693 1.355 0 40 DDAB C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@H]1N(C)C 76050419 MGOSJDPRFXJCKI-DGCLKSJQSA-N 306.410 1.678 0 40 DDAB CCOc1ccc(C(=O)CSc2nnc(CC)n2N)cc1 7348060 GCLGCLLGIRBYJT-UHFFFAOYSA-N 306.391 1.928 0 40 DDAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)NC(C)C 7456364 DIYFBEUQWSOSRU-UHFFFAOYSA-N 301.346 1.688 0 40 DDAB Cc1cccc(OC[C@@]2(CNC3CCC3)C[C@H](O)[C@H](O)C2)n1 107283849 URBSHJCDJMNDIV-SCAQPMJSSA-N 306.406 1.413 0 40 DDAB biogenic,in-vitro CC[C@@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 32904503 SHJMYKYXODHVEQ-CYBMUJFWSA-N 315.373 1.381 0 40 DDAB O=C1C[C@@H](n2nnnc2-c2ccccc2Cl)[C@H]2CO[C@H]1O2 103004456 ZILWLYWWNDPPOD-XWIASGKRSA-N 306.709 1.249 0 40 DDAB biogenic,in-vitro O=C(NCC1CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 47014170 ROTLOSHWNZNPQR-CQSZACIVSA-N 309.410 1.209 0 40 DDAB CCCN1CN2C(=O)N[C@H]3[C@H]2N(C1)C(=O)N3C1CCCCC1 103521505 OYNJUBUSLQSFIY-CHWSQXEVSA-N 307.398 1.375 0 40 DDAB O=C(c1c(F)cccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269606 SANNDVBIOHVWPE-ZIAGYGMSSA-N 310.344 1.636 0 40 DDAB CNC(=O)C1CCN(C(=O)COc2cccc(C)c2C)CC1 23180648 QHJWADGZRADMBG-UHFFFAOYSA-N 304.390 1.667 0 40 DDAB c1coc(CN2CN(n3cnnc3)Cn3c2nc2ccccc23)c1 20637205 WXTCMWPYIMSAAS-UHFFFAOYSA-N 321.344 1.794 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cncn2)c1 23748443 GMTMAHWYMIUEBA-LLVKDONJSA-N 304.350 1.563 0 40 DDAB O=C(C1CCOCC1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccccn1 107768473 QBZZIQLVHYUJEC-SJORKVTESA-N 315.417 1.683 0 40 DDAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1nncs1 43129238 ZWVBZEFBJWDGQD-VIFPVBQESA-N 300.290 1.671 0 40 DDAB COc1cccc([C@@H](O)CSc2n[nH]c(=O)n2C2CC2)c1 24763783 CDFKEPCTWJAUNQ-LBPRGKRZSA-N 307.375 1.741 0 40 DDAB CCN(CC)CCNC(=O)c1c(O)c2ccccc2n(C)c1=O 100498603 BEWAECXOMPGYQZ-UHFFFAOYSA-N 317.389 1.316 0 40 DDAB Cc1cc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)on1 24415423 FCAARJVVIXDOLP-UHFFFAOYSA-N 309.343 1.885 0 40 DDAB Cc1cc(C)c2c(c1)[C@H](CC(=O)NCc1nnc(C)o1)C(=O)N2 102547153 MMFQFMBOLORKKY-LBPRGKRZSA-N 314.345 1.737 0 40 DDAB CC1CCN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)CC1 25588504 QLVQIVGMQFXUIZ-CYBMUJFWSA-N 315.377 1.688 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccn2)cc1 25839148 CQZWQWISKLNGNV-UHFFFAOYSA-N 319.386 1.061 0 40 DDAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCO[C@H](C)C1 25837107 AYSZQZNZJKFHOR-NEPJUHHUSA-N 303.362 1.081 0 40 DDAB CNC(=O)COc1cccc(CNC(=O)NC[C@@H]2C[C@@H]2C)c1 56975437 VWMOWFOOKRVQCI-AAEUAGOBSA-N 305.378 1.267 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)O)cc1 3289257 SHGHKXMUEWMGNJ-LLVKDONJSA-N 319.404 1.180 0 40 DDAB OC[C@@H]1C[C@@H](O)CN1c1ncnc2sc3c(c12)CCCC3 108143737 FWTHTLOUCNKZPA-VHSXEESVSA-N 305.403 1.502 0 40 DDAB O=C(c1cccs1)N1CCC2(CC1)NCCc1nc[nH]c12 8996307 UJHLXYAWZABZGS-UHFFFAOYSA-N 302.403 1.748 0 40 DDAB COc1ccccc1N1CC[C@H](N[C@@H](C)[C@@H]2CCCO2)C1=O 108498166 UBNDEONHEAILLN-YDHLFZDLSA-N 304.390 1.958 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1 22227507 SIIOVTTXAJDEKT-UHFFFAOYSA-N 324.446 1.786 0 40 DDAB O=S(=O)(Nc1ccccc1O)c1ccc2c(c1)OCCO2 35684201 JRVRWXUZHQVUBX-UHFFFAOYSA-N 307.327 1.964 0 40 DDAB O=S(=O)(NC[C@H]1CCCNC1)c1cccc(Cl)c1F 44502511 KUBPSSVMKCOYAX-VIFPVBQESA-N 306.790 1.757 0 40 DDAB CCCOc1ccc([C@]2(CC)NC(=O)N(CC(=O)O)C2=O)cc1 57842200 OLPBKBBZDRONGK-INIZCTEOSA-N 320.345 1.717 0 40 DDAB COc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1OC 48263654 QRQYWFSNLIHHDB-SNVBAGLBSA-N 316.361 1.733 0 40 DDAB CCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58201446 OYGWUWZHRSHFQM-UHFFFAOYSA-N 324.324 1.428 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)NCc1cccnc1)C2 78481358 WPUHHNDLCDXBNS-AWEZNQCLSA-N 313.357 1.893 0 40 DDAB C[C@@H](CNC(=O)/C=C/c1cccnc1)N1C[C@@H](C)O[C@H](C)C1 58307918 HJVNEHFZAGMTQD-XIKIYNFVSA-N 303.406 1.709 0 40 DDAB COCC(=O)NCc1ccc(OCc2ccncc2)c(OC)c1 48332866 NUKGAVGEYWTCMS-UHFFFAOYSA-N 316.357 1.932 0 40 DDAB C[C@H]1NCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 91496842 UIPPRYSCXLXBMY-HQJQHLMTSA-N 308.325 1.523 0 40 DDAB CCOc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](CC)CO 11566199 WDQUCHFAZMNTLC-LBPRGKRZSA-N 301.408 1.751 0 40 DDAB CSc1ccc(CN(C)[C@@H](C)C(=O)N2CCNC2=O)cc1 12851388 RMNGANFZCYHGMZ-NSHDSACASA-N 307.419 1.781 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCc2ccc(OC)cc2)CC1 69924183 MSWYYVRBNABRQW-INIZCTEOSA-N 320.433 1.543 0 40 DDAB COCCCNC(=O)c1c(N)oc2cc(OC)ccc2c1=O 5031569 NWFJPMQAMGVPCQ-UHFFFAOYSA-N 306.318 1.150 0 40 DDAB Cc1ccc(NC(=O)CN(C)CC(=O)N2CCC(C)CC2)nc1 69584594 FFHMOBRDCHEASL-UHFFFAOYSA-N 318.421 1.519 0 40 DDAB Cc1cccc(N2CCN(C(=O)CN3CCCC3=O)CC2)c1 6276227 UDSRPMYVAFADBI-UHFFFAOYSA-N 301.390 1.266 0 40 DDAB CN(C)CCN(C)c1cc(Br)cc(F)c1C(N)=O 91731311 SJTVHWKPFJJDGA-UHFFFAOYSA-N 318.190 1.685 0 40 DDAB COC[C@@H](C)S(=O)(=O)NCCc1ccc(N(C)C)cc1 69670271 KJNFZSFPNKJPQL-GFCCVEGCSA-N 300.424 1.249 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CCN(c2ccc(C)c(C)c2)C1=O 65536791 WHQXJFHAZFMOFG-HIFRSBDPSA-N 304.390 1.807 0 40 DDAB O=C(c1cc(I)c[nH]1)N1CCOCC1 115314936 CFHINWQNZFUNML-UHFFFAOYSA-N 306.103 1.092 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)NCc1ccc(Cl)cc1 14119826 DWYRUBJOFQJDFM-MRVPVSSYSA-N 311.798 1.661 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)ccc2OC)C1=O 8707195 VTUGQIJXYRGZHX-INIZCTEOSA-N 319.361 1.663 0 40 DDAB C[C@@H](C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 4815163 LBOUUITVTSNRAV-JTQLQIEISA-N 316.398 1.895 0 40 DDAB O=C(CSc1nc(O)c2c[nH]nc2n1)Nc1ccccc1 18205725 PNAFPQXRNDJUPV-UHFFFAOYSA-N 301.331 1.789 0 40 DDAB CCCCNC(=O)C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21 15524861 BJKUSWDJMQNAQH-CYBMUJFWSA-N 313.361 1.128 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCN(c2ncccn2)CC1 7525718 GLWWKFIJOZQBJR-UHFFFAOYSA-N 315.377 1.363 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 409046703 LMUNWAAAJKPPGF-LPWJVIDDSA-N 305.717 1.791 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NC[C@@H]1COc2ccccc2O1 71282671 BATUTGLUDJGLDN-ICCXJUOJSA-N 305.330 1.299 0 40 DDAB COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 9197131 OPRLECRKTFYIIN-KBPBESRZSA-N 304.390 1.807 0 40 DDAB CC[C@H](C)C(=O)N1CCC(C(=O)NC[C@@H]2CCCN2CC)CC1 72272946 JKXDVJBASRSYTG-HOCLYGCPSA-N 323.481 1.872 0 40 DDAB COCCn1nc([C@H]2CCCNC2)n(-c2ccccc2)c1=O 71749347 SQXUVLGWBOUEDE-ZDUSSCGKSA-N 302.378 1.147 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cncn1 71796481 WRYHKMQVZWOJSM-KGLIPLIRSA-N 302.382 1.535 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2cccc3cccnc23)CC1 71881844 RZVGIWLJZATZCB-UHFFFAOYSA-N 313.401 1.764 0 40 DDAB COc1ccc(/C=C/C(=O)NCc2n[nH]c(C)n2)cc1OC 71882338 DZRWKLZWIJFOOZ-FNORWQNLSA-N 302.334 1.460 0 40 DDAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCOCC3)ccc12 19912309 QAGAJMDDQMVNEJ-ZDUSSCGKSA-N 319.357 1.173 0 40 DDAB CCNC(=O)COC(=O)[C@H](c1ccccc1)N1CCSCC1 71921326 OLHBDHOPMPZMTO-HNNXBMFYSA-N 322.430 1.456 0 40 DDAB Cn1c(=O)[nH]c2cc(C(=O)NC[C@H]3Cc4ccccc4O3)ccc21 84311029 VTVWKCIYIUUUQE-CYBMUJFWSA-N 323.352 1.600 0 40 DDAB CC[C@@H]1CN(C(=O)c2sccc2OC)C[C@@H]1N1CCOCC1 84735949 NGZUDPQGVVCAQV-OLZOCXBDSA-N 324.446 1.940 0 40 DDAB Cn1cccc1[C@H](CNC(=O)c1cccs1)N1CCOCC1 21152255 SPQGHXAREFFINJ-AWEZNQCLSA-N 319.430 1.890 0 40 DDAB CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1 95955403 FCPVCCZDSCRPKZ-CYBMUJFWSA-N 314.345 1.435 0 40 DDAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNC)cc12 9970636 JFHZAOSTPHMTAZ-GFCCVEGCSA-N 320.389 1.623 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 89544423 VLCMSHRJRLOTIR-CYBMUJFWSA-N 304.394 1.629 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1 75119843 AJYIUDJJMAPDGW-UHFFFAOYSA-N 320.370 1.017 0 40 DDAB O=C(CNCCc1ccccc1)NCc1ccc2c(c1)OCO2 35311510 JCEVIXSRIGYAOA-UHFFFAOYSA-N 312.369 1.864 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(NCc2noc(C)n2)nc(C)n1 72386964 AUFJWXPAJLRHOD-LBPRGKRZSA-N 302.338 1.382 0 40 DDAB CCN(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1ccccc1 36584207 HBCQZQZQQOYXCR-CYBMUJFWSA-N 322.361 1.717 0 40 DDAB CCOCC(=O)Nc1ncc(I)cc1C 72539195 LUPSERNLWGPJKR-UHFFFAOYSA-N 320.130 1.970 0 40 DDAB CC(C)c1nc(CN2CCNC(=O)[C@@H]2c2cccs2)no1 72799005 FEPSLVFPLZIKDT-LBPRGKRZSA-N 306.391 1.928 0 40 DDAB CS(=O)(=O)c1nsc(NC(=O)CCc2ccccc2)n1 36626339 VTQYDFYIDWJJDG-UHFFFAOYSA-N 311.388 1.513 0 40 DDAB CCCc1nnc(SCC(=O)NC2CC2)n1C[C@@H]1CCCO1 35313119 BRKXGWPVMJFPOE-LBPRGKRZSA-N 324.450 1.780 0 40 DDAB O=S1(=O)CC[C@H](N(CCO)Cc2ccccc2Cl)C1 72970359 AXROIZKSAWWZDF-LBPRGKRZSA-N 303.811 1.321 0 40 DDAB Cc1nn(C[C@@H](C)C(=O)NCCCN(C)C)c(C)c1Cl 35670832 QGFCLULWKYATMC-SNVBAGLBSA-N 300.834 1.857 0 40 DDAB O=C(CSc1ccc(-n2cccn2)nn1)NCc1ccco1 70635185 ITCFQYDBORYBJX-UHFFFAOYSA-N 315.358 1.664 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O 40386667 MWXIDWJRBLOEET-JTQLQIEISA-N 315.333 1.192 0 40 DDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)N1CCCC1 227160430 QGNNFSJIFLAEBL-UHFFFAOYSA-N 304.325 1.619 0 40 DDAB Cc1nc(NC(=O)CN(C)C)ccc1I 192687445 WBDDRRLJOXEIGY-UHFFFAOYSA-N 319.146 1.495 0 40 DDAB COC(=O)c1cccc(NC(=S)NCCN2CCCC2=O)c1 225812323 WQDKMFYBDJUFFM-UHFFFAOYSA-N 321.402 1.382 0 40 DDAB NC(=O)C1CCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)CC1 44892800 PHXAAIKTFLAGPZ-UHFFFAOYSA-N 317.320 1.005 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1 224238904 GYCLQHDXRWBIQG-UHFFFAOYSA-N 306.391 1.330 0 40 DDAB O=C(O)CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 238159405 JASPOVXEFNYPJZ-LLVKDONJSA-N 309.341 1.744 0 40 DDAB COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21 96038857 YDOOIQPKQUBWIC-GVDBMIGSSA-N 318.417 1.286 0 40 DDAB Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96239151 BRUBRHGIYQCBQE-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB CN(C)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 96058117 HAJDUWBBTVFXNS-ZNMIVQPWSA-N 305.378 1.512 0 40 DDAB COC(=O)[C@H]1CCC(=O)N(Cc2ccc(OC)cc2OC)C1 143740611 JKDWYEIFIMZSQY-LBPRGKRZSA-N 307.346 1.615 0 40 DDAB O=C(O)c1c(NC2CCC2)ncc2c1CCN([C@@H]1CCOC1)C2 96189226 RXNXYTLBHGSYFY-CYBMUJFWSA-N 317.389 1.891 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)on1 96220049 BBWORQBLKDIHBL-DMDPSCGWSA-N 318.333 1.147 0 40 DDAB CCc1nnnn1-c1ccccc1NC(=O)Cc1cc(C)on1 96425238 KXSURBCDRISROL-UHFFFAOYSA-N 312.333 1.702 0 40 DDAB CCOc1ccc(CNC(=O)C(=O)NCc2ccncc2)cc1 339315280 MSUAQQCBASGWRP-UHFFFAOYSA-N 313.357 1.413 0 40 DDAB CCOc1ncc(I)cc1C(=O)OC 95215826 LFIIUSJEURRBCB-UHFFFAOYSA-N 307.087 1.872 0 40 DDAB COC(=O)[C@@H](c1ccccc1C)N1CCC[C@H](CC(N)=O)C1 97094873 JULNUSCBUSORAY-CZUORRHYSA-N 304.390 1.797 0 40 DDAB CCN(Cc1ccncc1)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257275606 NQBMEAPPOHOILF-MRXNPFEDSA-N 314.393 1.252 0 40 DDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3ccccc3Cl)CC[C@@H]21 257274816 NMTHXHGDHSFRBA-KBPBESRZSA-N 322.792 1.802 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cccnc3)CCN2C)c1 257242175 IBKIWNXVGBZKKL-SFHVURJKSA-N 324.428 1.930 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2F)no1)[C@@H]1CC[C@@H](O)[C@@H]1O 257254664 KEEFFHSJOZUUFQ-UMVBOHGHSA-N 320.320 1.437 0 40 DDAB CCS(=O)(=O)N(C)Cc1cn(-c2ccccc2C(=O)O)cn1 257256288 KKVKZTKQHCQBGV-UHFFFAOYSA-N 323.374 1.352 0 40 DDAB O=C(c1ccc2c(c1)CCC2)N1CC[C@](O)(CN2CCCC2)C1 257336763 YPYIWCNZGHMMAC-IBGZPJMESA-N 314.429 1.848 0 40 DDAB COc1ccccc1[C@@H]1CN(Cc2ncc[nH]2)CCN1C(C)=O 257228576 FUJUDZALHCUVBR-HNNXBMFYSA-N 314.389 1.824 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 257278039 OAMUYRVDTWFGRH-ZDUSSCGKSA-N 303.366 1.709 0 40 DDAB CCn1ncc2ncn(CC(=O)NC3CCCCCC3)c(=O)c21 585140504 GCGARVIFUIYGLY-UHFFFAOYSA-N 317.393 1.452 0 40 DDAB O=C(Cn1cccn1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585279990 VCLCBTSOLGQFOZ-ZBFHGGJFSA-N 317.364 1.474 0 40 DDAB O=C(NC[C@@H]1COCCO1)[C@H]1CCCN1C(=O)C1CCCCC1 55847826 IAOMLWYUSALZPZ-HUUCEWRRSA-N 324.421 1.089 0 40 DDAB CC(C)CCN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O 952844788 JAQVRSMUGFPHJU-XGFWRYKXSA-N 315.801 1.198 0 40 DDAB biogenic,in-vitro CO[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 79102334 YKNQALQJPPSQBE-VHDGCEQUSA-N 302.374 1.723 0 40 DDAB CCc1n[nH]c([C@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 89289853 JHJBRLTZGCTQGV-SNVBAGLBSA-N 304.354 1.201 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 5018836 PALXNGIWFYIIIV-UNXLUWIOSA-N 324.676 1.046 0 40 DDAB CCCC[C@H](CC)C(=O)OCCOCCOCCOCCO 5822051 KMFYCMCMPSNIJX-HNNXBMFYSA-N 320.426 1.788 0 40 DDAB Cc1nc(N)nc(N2CCOCC2)c1CCOc1ccccc1 5274856 YHXJBSYSUYCSPN-UHFFFAOYSA-N 314.389 1.825 0 40 DDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H]1COc2ccccc2O1 5604809 KQASILUCSRZYAD-UPJWGTAASA-N 319.357 1.834 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCC1 13583256 SRAOFZJLMHQQKG-UHFFFAOYSA-N 310.419 1.871 0 40 DDAB Cc1ccc(O[C@@H](C)CNC(=O)[C@H](C)Cn2cncn2)cc1 19210965 GGKPBEZECNNORQ-KGLIPLIRSA-N 302.378 1.806 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)NC3CCCCC3)C2)nn1 225440340 LCAHTGANBHMQNT-CYBMUJFWSA-N 320.393 1.981 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@@H]2[C@H]1C(=O)O)OCCO3 309850824 JKWOLNXRPQAVAW-DCAQKATOSA-N 313.350 1.460 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@H](C)N(c3nc(C)nc4cnccc34)[C@@H]2C1 1888842897 BQYNYTMIECXWBB-AKWBHNSASA-N 311.389 1.779 0 40 DDAB CCc1c(C)ncnc1N1CCN(c2nccc(OC)n2)CC1 1888844314 BCXXFKJMNPWKGX-UHFFFAOYSA-N 314.393 1.473 0 40 DDAB O=C1OCCN1[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 853807066 RRHVWHNSHFSTFF-MRVPVSSYSA-N 302.256 1.526 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1Cc1nccn1Cc1ccccc1 26910611 YUNKCHATRMOUOT-INIZCTEOSA-N 312.417 1.984 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)NCC(C)C)cc1 29320417 KFFGBDRXVUMRJG-UHFFFAOYSA-N 313.423 1.229 0 40 DDAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 30315528 UUYLITMZMYNFSK-JTQLQIEISA-N 321.764 1.410 0 40 DDAB COc1cccc(C[C@H](C(=O)NCC2CC2)n2nnnc2C)c1 40540727 GKMWFDZYTHYHPJ-OAHLLOKOSA-N 315.377 1.300 0 40 DDAB O=C(NCC(=O)N1CC(Oc2cccnc2)C1)c1ccccc1 238827636 FCYLZZVAUFGGSH-UHFFFAOYSA-N 311.341 1.101 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](c2ncon2)C1 238969929 ZHTXOXFGCQPPGQ-NSHDSACASA-N 310.317 1.280 0 40 DDAB Nc1c(-c2nc(-c3ccncc3)no2)nnn1-c1ccccc1 4316731 HHNGBVNFGWJWOU-UHFFFAOYSA-N 305.301 1.962 0 40 DDAB CCCOc1nn(CCC)cc1C(=O)N1CCC(C(N)=O)CC1 9071200 DXRIWHMNIJUAKY-UHFFFAOYSA-N 322.409 1.419 0 40 DDAB Cc1cc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)no1 11988624 NKAKBNWGICFXDV-UHFFFAOYSA-N 317.320 1.909 0 40 DDAB CCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055714517 FJQOBZPZBPAGEL-GFCCVEGCSA-N 318.421 1.596 0 40 DDAB CC(C)CC(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055730101 AMOMRBKJIIWUSQ-CYBMUJFWSA-N 321.421 1.526 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2nccc3occc23)C1)C1CC1 2086884610 UKHPMOVZJSVNDH-LLVKDONJSA-N 321.402 1.878 0 40 DDAB COC1CCN(C2CN(C(=O)c3cccc(N(C)C)c3)C2)CC1 575610602 LHKVZFMQCUVCLF-UHFFFAOYSA-N 317.433 1.688 0 40 DDAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 24801329 ZNHZQZLWGACLRW-LLVKDONJSA-N 306.387 1.322 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1ccc(O)cc1 40288239 BLAANUKMHYYHHI-UHFFFAOYSA-N 316.361 1.040 0 40 DDAB COc1ccc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1F 40489187 OYCHREMWGARRTI-CQSZACIVSA-N 315.366 1.070 0 40 DDAB CN1CCN(C(=O)c2ccc(=O)[nH]c2)c2nc3ccccc3nc21 40488651 YZZKYZAALPCFBR-UHFFFAOYSA-N 321.340 1.415 0 40 DDAB Cn1cccc1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 40456758 FUIRGYIDFMYBIO-CYBMUJFWSA-N 311.341 1.371 0 40 DDAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)s1 31604350 IZBXVZFUYCFWHO-NSHDSACASA-N 316.386 1.834 0 40 DDAB O=C1CN(C(=O)c2cc(-c3ccccc3Cl)on2)CCN1 40512055 LRIREICJGPBXDR-UHFFFAOYSA-N 305.721 1.567 0 40 DDAB COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1 40536255 MWDRDVLWAXHEOE-HNNXBMFYSA-N 306.406 1.857 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12 20763471 GFTVFIOEGOBTRP-AWEZNQCLSA-N 316.357 1.846 0 40 DDAB biogenic O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCOCC1 51910076 AHLDOAWSCSWGHT-ZDUSSCGKSA-N 301.346 1.655 0 40 DDAB COC(=O)c1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1 69569572 IEDNEIADDKPQPJ-ZDUSSCGKSA-N 304.346 1.343 0 40 DDAB Cn1c(CN(CC2CCCCC2)C2CC2)cc(=O)n(C)c1=O 52245076 LKOPELHQLWPKRO-UHFFFAOYSA-N 305.422 1.629 0 40 DDAB Cc1c(C)c2ccc(OCC(=O)NCCC(=O)O)cc2oc1=O 2140341 YJFPLJFLTPQTPZ-UHFFFAOYSA-N 319.313 1.380 0 40 DDAB biogenic Cc1nc2c(cc1C(=O)Nc1ccccc1)c(=O)n(C)c(=O)n2C 2239471 VYAIIZQCERHGMA-UHFFFAOYSA-N 324.340 1.193 0 40 DDAB CC(C)[C@H](C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102337300 TWGMMOFPMCCJHR-VIFPVBQESA-N 305.403 1.997 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CSc1nnnn1C(C)(C)C 21731036 DSEVGAPBHUPNQR-UHFFFAOYSA-N 323.426 1.509 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(C)c1 4936877 WKEDFFOALXDXOU-GFCCVEGCSA-N 302.330 1.517 0 40 DDAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2nnn(C)n2)c1 558140 ZDRCXFDWWSPHRW-UHFFFAOYSA-N 320.378 1.124 0 40 DDAB CCOc1cc(CNCCO)cc(Br)c1OC 8253601 MODSVCDCQOQTFK-UHFFFAOYSA-N 304.184 1.938 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CC1=O 8273339 PTUKZPJKVHAXMR-LBPRGKRZSA-N 304.346 1.288 0 40 DDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475831 JKXJECRNEWBXHI-UHFFFAOYSA-N 300.380 1.132 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1nnsc1Cl)CC2 76064506 TYHAEEBTYIYOBV-UHFFFAOYSA-N 311.798 1.326 0 40 DDAB C[C@@H](C(=O)NCCc1cnc[nH]1)n1cnc2ccccc2c1=O 12296797 SXGFZEYTJXOVAC-NSHDSACASA-N 311.345 1.040 0 40 DDAB biogenic COCc1cccc(CNC(=O)[C@@H]2CCCN(C(C)=O)C2)c1 47026195 KOKSRPCDBDGXDA-MRXNPFEDSA-N 304.390 1.708 0 40 DDAB CN(C)CCNC(=O)c1nc2c(s1)CCCN2CC1CC1 104816940 KZFABGNFLDUQEB-UHFFFAOYSA-N 308.451 1.597 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1 53895118 ANUBRZNTWIAHIC-CYBMUJFWSA-N 311.341 1.821 0 40 DDAB Cc1cc(C(=O)Nc2cc(Br)c(=O)n(C)c2)no1 84116972 QYVNQBSXDZAPBK-UHFFFAOYSA-N 312.123 1.697 0 40 DDAB Cc1cc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)on1 84124260 SWBOQXPPXSFWII-AWEZNQCLSA-N 303.366 1.110 0 40 DDAB O=C(Cn1nnnc1C1CCCC1)N1CCc2sccc2C1 54658992 ZHLQLSNWKZKSBX-UHFFFAOYSA-N 317.418 1.977 0 40 DDAB O=C1CN(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cn2)CCN1 105635106 HGYSCAXYTXBGKH-SGMGOOAPSA-N 314.389 1.393 0 40 DDAB O=C(NCCc1cccc(F)c1)c1ccc(-c2nnn[nH]2)cc1 24320791 GQWONYVKNWQHQE-UHFFFAOYSA-N 311.320 1.978 0 40 DDAB COC(=O)C1(NC(=O)c2cn3ccccc3n2)CCCCC1 55452259 UFOSITVFBRSELJ-UHFFFAOYSA-N 301.346 1.940 0 40 DDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccccc2)c1 102014688 SEUXPPULAQRSEV-YHUYYLMFSA-N 323.352 1.598 0 40 DDAB C[S@@](=O)CCN1CCN(Cc2cccc3cc[nH]c23)CC1 97032747 MWWCZMSQYWOPIJ-NRFANRHFSA-N 305.447 1.664 0 40 DDAB O=C(NOCc1ccccc1)c1cccnc1N1CCOCC1 25285844 VOZWKMWVVRILFK-UHFFFAOYSA-N 313.357 1.780 0 40 DDAB CN1CC[C@@H](CNC(=O)N2CC[C@H](C(N)=O)C2)c2ccccc21 56488022 VPXFPHHMFXFVHW-STQMWFEESA-N 316.405 1.127 0 40 DDAB C[C@@H](Cn1cccn1)NC[C@H](O)c1ccc2c(c1)OCCO2 72273094 BITYSZRWZHESTJ-JSGCOSHPSA-N 303.362 1.366 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)C(=O)NC(C)(C)CC 108087527 ZAKXJJFVVVTDNF-BPLDGKMQSA-N 311.470 1.916 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 12557604 FITXXAKSHCHNGJ-WFASDCNBSA-N 312.373 1.605 0 40 DDAB O=C(O)CCN1CCN(C(=O)Cc2ccccc2Cl)CC1 35686967 WSLFNNPJGACYNR-UHFFFAOYSA-N 310.781 1.501 0 40 DDAB C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C)CC1 72294549 HWBNLNHBYLCAFC-NRUITVPNSA-N 323.462 1.213 0 40 DDAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 27267040 SOOCLVYAOQSIDH-ZDUSSCGKSA-N 303.362 1.888 0 40 DDAB Cc1cc(CN2CCN(Cc3nc(C4CC4)no3)CC2)on1 44714275 MDHKKJCHUCPHAT-UHFFFAOYSA-N 303.366 1.561 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cnn(C)c2)CC1=O 44915818 AOCXTPGZCXACJL-JSGCOSHPSA-N 312.373 1.968 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)Nc2ccccn2)cc1 44970610 PSLSZNKDPVZTAE-UHFFFAOYSA-N 305.359 1.807 0 40 DDAB COc1c(CNC[C@H](O)COc2cccc(F)c2)c(C)nn1C 58343024 JKDQVYXSJLWVDI-ZDUSSCGKSA-N 323.368 1.406 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 48152173 MICLMZUBKXWSPF-NEPJUHHUSA-N 321.402 1.148 0 40 DDAB CCCc1n[nH]c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)n1 28190204 BUPOGMYEXFNRFM-ZETCQYMHSA-N 308.415 1.444 0 40 DDAB C[C@H]1CCCN(C(=O)COC(=O)Cn2cnc3ccccc32)C1 3359155 UXLXOARLEDZZPP-ZDUSSCGKSA-N 315.373 1.838 0 40 DDAB C[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 36728999 KNDNURHCNWJQDF-ZFWWWQNUSA-N 324.446 1.878 0 40 DDAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N1CCNC1=O 12780997 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Cc1cc(C(=O)Nc2nc(C(=O)Nc3nccs3)co2)no1 90583041 OSJYHUNUFJSMTG-UHFFFAOYSA-N 319.302 1.932 0 40 DDAB CC(C)Oc1ccccc1CNC(=O)C(=O)NCc1ccco1 298080888 DDCXOIVQBCIPJH-UHFFFAOYSA-N 316.357 1.999 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cn1 390834598 HKCOTEHESGFHLJ-UHFFFAOYSA-N 322.342 1.662 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@H]2C 585098317 WACJLYBHMZNXPZ-NSHDSACASA-N 301.350 1.345 0 40 DDAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N(C)Cc1ccncc1 585281457 XVLDEFZIRPKVAX-HZPDHXFCSA-N 319.405 1.314 0 40 DDAB COCc1nnc2n1CCN(C(=O)[C@H]1CCCS1)[C@@H](C)C2 585097112 FVRAWOUWVDAHDW-WDEREUQCSA-N 310.423 1.093 0 40 DDAB NC(=O)Cn1cc(NC(=O)c2cc(Cl)sc2Cl)cn1 53413639 DXRDJJGIJPVNCW-UHFFFAOYSA-N 319.173 1.989 0 40 DDAB CCN1CCC(CNC(=O)COc2ccccc2OC)CC1 57000260 YUAWLQUQPZCLCE-UHFFFAOYSA-N 306.406 1.922 0 40 DDAB c1ncn(Cc2ccc(CNC[C@@H]3CNc4ccnn4C3)cc2)n1 58325198 ONRIHADWBOYZDI-MRXNPFEDSA-N 323.404 1.354 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2Cc2cc(=O)n3ccccc3n2)c1 70040705 WHIDVEHSFDUHTJ-INIZCTEOSA-N 323.400 1.864 0 40 DDAB CCN(CC)S(=O)(=O)NCc1nc2cc(F)ccc2n1C 70004830 NKBVTTOOBJCIFK-UHFFFAOYSA-N 314.386 1.389 0 40 DDAB COc1ccc(C(=O)N(C)CCN2CCCC2=O)c(OC)c1 83860892 PIAITTBMBHIDHU-UHFFFAOYSA-N 306.362 1.398 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@H](O)c1cc(C)oc1C 85561292 MQZDUEWYZHJXLX-ZDUSSCGKSA-N 307.350 1.492 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)Nc1ccn([C@@H]2CCNC2)n1 547691716 OSWZVGVTBXSUOO-LLVKDONJSA-N 306.316 1.877 0 40 DDAB COc1c(/C=C2/SC(=O)NC2=O)cccc1O[C@@H](C)C(=O)O 5060156 ZPSQDRVCTBUSIQ-FSEMZKDTSA-N 323.326 1.871 0 40 DDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1cccs1 1549162220 RRFZUYKLZUEQMR-RRFJBIMHSA-N 320.418 1.135 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCCc2nnc3ccccn23)cc1 5354657 UMLMRZRKOITTSP-UHFFFAOYSA-N 323.356 1.660 0 40 DDAB O=C(O)CS[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1 5589801 VOBMLRGFTDUGFS-QWRGUYRKSA-N 301.389 1.082 0 40 DDAB CN(C)C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12325398 IHOOQLSDWNSCND-UHFFFAOYSA-N 311.345 1.010 0 40 DDAB CC(C)Cc1nc2n(n1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 14607199 RWGHEQIGDSURKN-GFCCVEGCSA-N 313.361 1.999 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 16551517 POMRVPDSVPLFIJ-IDTSFGKNSA-N 317.341 1.778 0 40 DDAB C[C@H](NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1)C1CC1 19749438 HMPOWIYXJKKSTJ-NSHDSACASA-N 313.361 1.445 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 169677811 UBHKMFOTFQROLB-KKUMJFAQSA-N 316.401 1.984 0 40 DDAB COc1c(C)cnc(CN2CCO[C@@H](C(=O)NC3CC3)C2)c1C 1888853092 JBEQNBSRFUEMNV-OAHLLOKOSA-N 319.405 1.186 0 40 DDAB CN(C)Cc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963887 IGFSAYWWFKONFA-ZDUSSCGKSA-N 300.362 1.995 0 40 DDAB biogenic,in-vitro COCCN1C(=O)CCC[C@H]2CN(Cc3cn(C)cn3)CC[C@H]21 2037849752 DPGJWPGHXMHSCI-GOEBONIOSA-N 320.437 1.270 0 40 DDAB CCOC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327863 ZQDHISYBLZNRKW-UHFFFAOYSA-N 315.358 1.842 0 40 DDAB O=C(O)c1ccc(C[n+]2cc(C(=O)O)cc(C(=O)O)c2)cc1 2049305449 ZYNGEJUNUAYVOF-UHFFFAOYSA-O 302.262 1.117 0 40 DDAB Cc1cnc(C(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)cn1 2055730160 GQEHAPDAKVLCIK-LLVKDONJSA-N 315.377 1.122 0 40 DDAB Cn1cccc(C(=O)NCc2nccnc2-c2cccnc2)c1=O 575619266 KHANDPAZVNFMOB-UHFFFAOYSA-N 321.340 1.167 0 40 DDAB O=C(c1ccc(Br)o1)N1CC(Nc2ccncn2)C1 618255525 DHVRUHTXPLAFGT-UHFFFAOYSA-N 323.150 1.769 0 40 DDAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 8219014 VQWDYXWRIQSFFR-CYBMUJFWSA-N 324.421 1.435 0 40 DDAB NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 530742 BTPZHYQSDBTGJS-UHFFFAOYSA-N 315.358 1.559 0 40 DDAB c1ccc(CN2CCCN(Cc3nnnn3C3CC3)CC2)cc1 40497703 SGCYJFWPDMXLKC-UHFFFAOYSA-N 312.421 1.716 0 40 DDAB C[C@H](NC(=O)c1nccnc1N)c1ccc2c(c1)OCCCO2 40498598 ZWEORRXZWZLEEE-JTQLQIEISA-N 314.345 1.711 0 40 DDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N[C@H](C)CO 40541417 MGOMCUBWISSZCM-SNVBAGLBSA-N 306.341 1.500 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)NC3CCCC3)cc2C1 40647371 UZPZPBQGBZGUIL-UHFFFAOYSA-N 322.430 1.812 0 40 DDAB CCOC(=O)c1cc(C)n(CC(=O)NCc2ccccn2)c1C 20898561 ZCXBKPJYKVEOCP-UHFFFAOYSA-N 315.373 1.993 0 40 DDAB O=C(NC1CCCC1)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 302604 QVKJQVVMMQQGJY-DZGCQCFKSA-N 318.373 1.679 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2ccc(F)cc2)c1C 46217949 GPJUHBIRXDTERL-UHFFFAOYSA-N 320.324 1.396 0 40 DDAB Cc1c(C(=O)NCc2nnc3n2CCC3)cnn1-c1ccccn1 46329938 MPVXIFSCSDYIMW-UHFFFAOYSA-N 323.360 1.043 0 40 DDAB O=C1OC[C@@H]2C(=O)N3Cc4nc5ccccc5cc4[C@H]3OC[C@H]12 1723479 VIPUNZPBDGWVHE-MQIPJXDCSA-N 310.309 1.395 0 40 DDAB Cc1cc(NC(=O)[C@H](C)NC[C@@H]2CCCn3ccnc32)no1 84117240 JQHTWHMXQJGLHI-RYUDHWBXSA-N 303.366 1.674 0 40 DDAB Cc1noc(C)c1CCC(=O)Nc1nc(CC(N)=O)cs1 32882527 SJYIGQACSAGWIY-UHFFFAOYSA-N 308.363 1.347 0 40 DDAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1CC 3501668 HVDRUBOKDNWTIM-UHFFFAOYSA-N 305.407 1.978 0 40 DDAB CCc1sc(C(=O)NC2CCN(CC(=O)NC)CC2)cc1C 46448721 ISTOQLCQFTYHEK-UHFFFAOYSA-N 323.462 1.559 0 40 DDAB O=C(NC[C@H]1CCCO1)C1CCN(Cc2cccnc2)CC1 6534094 BZKZUPFWIXIGJB-MRXNPFEDSA-N 303.406 1.589 0 40 DDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCCNC(N)=O 76017380 QMJPTQHOPRFSIP-SNVBAGLBSA-N 313.785 1.672 0 40 DDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2O)s1)c1ccncc1 103018454 PQSVAHAZOJXDDA-VULZFCBJSA-N 324.361 1.029 0 40 DDAB COc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1Cl 8135323 RVZZESLCLMSUSO-UHFFFAOYSA-N 310.737 1.826 0 40 DDAB O=C(NCc1ccoc1)[C@H]1CCCN1C(=O)c1ccccc1O 53040407 OXDMCYONKMJRMS-CQSZACIVSA-N 314.341 1.906 0 40 DDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CC3CCOCC3)C2)C1=O 76058861 GZZJPSBDNBSOKE-CZUORRHYSA-N 309.410 1.065 0 40 DDAB Cn1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)n1 22475765 VYZVOKDNKLVRRE-UHFFFAOYSA-N 308.288 1.457 0 40 DDAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2nc[nH]n2)cc1 23141988 VETYOAMVDQCPPO-UHFFFAOYSA-N 302.338 1.265 0 40 DDAB CNS(=O)(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C)C1 78258408 DFJMPGMWLHUQFV-GFCCVEGCSA-N 320.418 1.456 0 40 DDAB C[C@H](CNC(=O)NCc1ccc2c(c1)OCO2)Cn1cccn1 47270779 HLUQZPNNHAWDCS-GFCCVEGCSA-N 316.361 1.747 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccc(S(C)(=O)=O)cc1 43069510 VOGYSPYWJLLLIW-UHFFFAOYSA-N 308.359 1.625 0 40 DDAB NC(=O)c1nn(C[C@@H](O)c2ccccc2)c(=O)c2ccccc12 24968521 MKLQMYRVEXRGBC-CQSZACIVSA-N 309.325 1.229 0 40 DDAB Cc1nc(C)c(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)s1 106918629 BFNKGTZEENJWFZ-NHYWBVRUSA-N 322.434 1.570 0 40 DDAB Cn1cc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cn1 25307353 BKGZGFQYPKRZTA-UHFFFAOYSA-N 314.345 1.564 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c1 101055341 ISABKYQVAFBZOM-ZFWZSOMGSA-N 301.298 1.846 0 40 DDAB NC(=O)[C@@H](NCCNC(=O)c1cccs1)c1ccccc1 56178697 VNVSTLSOIBTTIA-ZDUSSCGKSA-N 303.387 1.294 0 40 DDAB COc1cccc2c1N(CC(=O)N1CCO[C@H](C)C1)CCC2 26339255 VFKJLQAIHWSVIY-CYBMUJFWSA-N 304.390 1.695 0 40 DDAB COc1cccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[nH]2)c1 57523541 UHIOSXSSMJRIBW-AWEZNQCLSA-N 324.344 1.568 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1 57978424 ZFVMVTIXOJRSJE-AWEZNQCLSA-N 317.433 1.926 0 40 DDAB O=C(CCCc1ccccn1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269913 YRLMYZCLKYHLIV-SJORKVTESA-N 317.433 1.462 0 40 DDAB CCOC(=O)CN(CC(=O)Nc1ccc(F)c(F)c1)C1CC1 58145798 PXZDSTZKVANPPI-UHFFFAOYSA-N 312.316 1.931 0 40 DDAB C[C@H](C(=O)NC(C)(C)C)N1CCCN(c2nccs2)CC1 58159818 RWGBCNPNNZQPHN-GFCCVEGCSA-N 310.467 1.958 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1F 58183245 YJUXAVTVXYVRSO-ZETCQYMHSA-N 322.308 1.660 0 40 DDAB c1ccc(-n2nnnc2CN2CCC(c3cc[nH]n3)CC2)cc1 58246119 KNKIWCHPBKLSOL-UHFFFAOYSA-N 309.377 1.765 0 40 DDAB O=c1ccccn1CCCCNC[C@@H]1CNc2ccnn2C1 58296332 NFCGIQVOOCCSON-CQSZACIVSA-N 301.394 1.157 0 40 DDAB Cc1oc2nc(SCC(=O)NCCCO)nc(N)c2c1C 2260073 JOFJAPBDFFOSES-UHFFFAOYSA-N 310.379 1.013 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2csc(Br)c2)C1 36324015 ZSKANMCNUHYMME-SSDOTTSWSA-N 317.208 1.848 0 40 DDAB COc1ccc(-c2noc(CN3CC[C@@H](C(N)=O)C3)n2)cc1 48035018 SXKWSQUVWRTBRE-LLVKDONJSA-N 302.334 1.052 0 40 DDAB CC(C)c1noc(Cn2nnn(-c3ccccc3Cl)c2=O)n1 29144936 BDIAIIYIYLVAJZ-UHFFFAOYSA-N 320.740 1.637 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)COCc1ccccc1 48333769 XUSKCTAVTKWOHY-LSDHHAIUSA-N 318.373 1.381 0 40 DDAB NC(=O)C1CCN(C(=O)CCCOc2ccccc2F)CC1 62639983 NSOHGASMZRMIRH-UHFFFAOYSA-N 308.353 1.709 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1 3557983 OVJYJOMMBWOWSB-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB Cc1ccc(N2CCC[C@H](Nc3ncnc4c3cnn4C)C2)nn1 69925688 ZWKQOUBSAGBYLH-LBPRGKRZSA-N 324.392 1.543 0 40 DDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 28206486 MXMOKBLPLMDDHF-UHFFFAOYSA-N 316.382 1.798 0 40 DDAB C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 63194278 BFVAMRPEMDJTHS-NOZJJQNGSA-N 304.362 1.855 0 40 DDAB N=C(N)NCc1ccccc1CN1CCN(c2ccccc2)CC1 69656129 AEXLPDPIPQWVDX-UHFFFAOYSA-N 323.444 1.992 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@H]1C(=O)O 8756650 KCTRFBPFYBLQNL-NSHDSACASA-N 311.359 1.169 0 40 DDAB COC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C(=O)OC 4315806 IRYZEEUCKARBFH-UHFFFAOYSA-N 309.709 1.802 0 40 DDAB CN(C)Cc1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)cc1 69841357 ZXMBWFZLCNEHEC-UHFFFAOYSA-N 319.449 1.277 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](CO)Cc1ccccc1 65624841 XPGXKIYDZDWACJ-MRXNPFEDSA-N 316.449 1.735 0 40 DDAB Cc1ccc(NC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cc1 65609378 SOGREXILACZVGA-LBPRGKRZSA-N 304.394 1.455 0 40 DDAB CCOC(=O)CN1C(=O)[C@@H]2Cc3ccccc3CN2C1=S 5472706 ZBTYJWXBYAWBOF-LBPRGKRZSA-N 304.371 1.104 0 40 DDAB O=C(NC1CCN(CCN2CCOC2=O)CC1)C1CCCCC1 65963130 RRXFQXZVFDYHIW-UHFFFAOYSA-N 323.437 1.600 0 40 DDAB CNC(=O)c1ccc(CN(C)c2nnnn2-c2ccccc2)cc1 15141229 UTPYSPAGMWCXND-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB NC(=O)c1ccc(NC(=O)COc2ccc(CO)cc2)cc1 5937202 PUUGUCMDZIYMTJ-UHFFFAOYSA-N 300.314 1.295 0 40 DDAB O=C(CCC(=O)c1cccs1)OCC(=O)N1CCOCC1 7158087 HFQFRXJSBAVGOO-UHFFFAOYSA-N 311.359 1.113 0 40 DDAB CC(C)CNC(=O)NC(=O)COC(=O)Cc1ccc(F)cc1 7514760 USHLLORHECMCMY-UHFFFAOYSA-N 310.325 1.393 0 40 DDAB CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 68577570 YWZPZDXNMQKMJO-UHFFFAOYSA-N 310.419 1.626 0 40 DDAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc3c(c2)CCC3)C1=O 7990350 YIBKERZMYVHKCE-UHFFFAOYSA-N 315.373 1.834 0 40 DDAB COCCNC(=O)CN[C@H](C)c1ccc(Br)cc1 16695806 DVXPLPJEJXAOKT-SNVBAGLBSA-N 315.211 1.862 0 40 DDAB COC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 70039115 WHIAMNXTLMEIIC-BXUZGUMPSA-N 323.368 1.655 0 40 DDAB CNc1cc(N2CCC[C@H]2CN[C@H](C)c2nnc(C)o2)ncn1 72276617 HATKXZQJMCDCPK-PWSUYJOCSA-N 317.397 1.529 0 40 DDAB COC[C@@](C)(NC(=O)CCSc1ccc(F)cc1)C(N)=O 72281142 KYURACSYQUROLV-CQSZACIVSA-N 314.382 1.315 0 40 DDAB O=C1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CCN1 71839592 WDMXIUONKWQLCE-LLVKDONJSA-N 308.765 1.240 0 40 DDAB CC[C@@H](C(=O)NC[C@@H](C)N1CCN(C)CC1)c1ccccc1 71867418 ZIHNEIQAUUULAV-NVXWUHKLSA-N 303.450 1.932 0 40 DDAB CCCNC(=O)C1CCN(C(=O)c2cccc3[nH]ncc23)CC1 71828375 PQWBTHUBFADVNK-UHFFFAOYSA-N 314.389 1.941 0 40 DDAB CCc1nc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 83830303 DDVQBTVMBWGYEP-HNNXBMFYSA-N 322.434 1.610 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C2 72300290 UFCVXMIUOUHKKZ-CQSZACIVSA-N 301.394 1.643 0 40 DDAB O=C(COCC(F)(F)F)N[C@H]1CCO[C@]2(CCSC2)C1 84544127 UXZBMQIYOZPNBJ-GXSJLCMTSA-N 313.341 1.736 0 40 DDAB c1cnnc(NC[C@H]2CN(Cc3nc(C4CC4)no3)CCO2)c1 78893624 MAWGEOZOIIKIJG-LBPRGKRZSA-N 316.365 1.050 0 40 DDAB CN(C)S(=O)(=O)CCCn1ccc(=O)c2sccc21 72921293 QKUZFPTYVUYJEO-UHFFFAOYSA-N 300.405 1.345 0 40 DDAB CS(=O)(=O)CCCN1CCC[C@H](c2noc(C3CC3)n2)C1 95402220 MWRUCKHZIHQNTG-LBPRGKRZSA-N 313.423 1.561 0 40 DDAB C[C@H](CNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)Cn1cccn1 89900930 JYRHTJCNHPLYCG-KBUPBQIOSA-N 306.410 1.776 0 40 DDAB Cn1cc(CN2C[C@H]3c4ncc(-c5cccnc5)n4C[C@H]3C2)cn1 306129629 IIOCTURXICWQCJ-HZPDHXFCSA-N 320.400 1.908 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(SC)cc2)C1=O 408548529 IGBFTGTXISIXAA-YRNVUSSQSA-N 306.343 1.474 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3C[C@H]3C)ccc2c1=O 32393150 QBCOPYIRWUXYMH-ZYHUDNBSSA-N 315.373 1.657 0 40 DDAB Cc1noc([C@@H]2COCCN2C(=O)c2cccn2C(C)C)n1 120963959 DJRKSZKXYWQWGM-ZDUSSCGKSA-N 304.350 1.974 0 40 DDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1 64573187 ORAWMNLXRMIZOU-UHFFFAOYSA-N 314.432 1.308 0 40 DDAB C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C[C@@H]1COCC(C)(C)O1 1550775786 ARRUYHRLVSQDEP-QLFBSQMISA-N 310.438 1.656 0 40 DDAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCNCC1 72222530 DBKSWGLFOJQKMP-UHFFFAOYSA-N 306.410 1.824 0 40 DDAB CC(C)CN(CC(C)C)C(=O)CSc1n[nH]c(=O)n1C 43940761 JPKPFBLGCGPYDS-UHFFFAOYSA-N 300.428 1.341 0 40 DDAB Cn1c(CNC(=O)c2nnc3ccccc3n2)nc2ccccc21 46088231 DEUZWPGWKFOVOO-UHFFFAOYSA-N 318.340 1.842 0 40 DDAB NC(=O)CN1CCC(N[C@@H]2CCCOc3cc(F)ccc32)CC1 195557608 BAPPYKXNHOKKMR-OAHLLOKOSA-N 321.396 1.579 0 40 DDAB O=C1N[C@@H]2CCCC[C@H]2C[C@H]1n1nc(-c2ccco2)oc1=O 570789113 FKQPKOATBFSAAY-HBNTYKKESA-N 303.318 1.716 0 40 DDAB O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccccc1 75155718 PUMASNSSYHJIHT-INIZCTEOSA-N 303.383 1.799 0 40 DDAB CCOc1ccc(NC(=O)C(=O)NCC[C@H](O)C2CC2)cc1 77108368 YLINPZHFBZXYNE-AWEZNQCLSA-N 306.362 1.301 0 40 DDAB COc1ccc(CN2C[C@H]3CN(C(C)=O)CCN3C2=O)cc1 85436071 CLMSNLDWUFDGFV-CQSZACIVSA-N 303.362 1.164 0 40 DDAB biogenic,in-vitro CC(C)NC(=O)CCNC(=O)[C@]1(C)CC(c2cccs2)=NO1 226747728 IKFRPJDDSCESHL-HNNXBMFYSA-N 323.418 1.662 0 40 DDAB CC(C)(C)c1nnc2n(c1=O)NC(=O)[C@H](Cc1ccccc1)N2 226820810 USVKKGHVEQGIEJ-NSHDSACASA-N 313.361 1.043 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)/C=C/C1CCCCC1 96410030 UJFMRNJLSOTGLN-ZHACJKMWSA-N 316.467 1.911 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1 96186557 PECATAPVBYEEHI-BZSNNMDCSA-N 314.429 1.987 0 40 DDAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C[C@H]1C=CCC1 237303364 YPUKFELKLCYWHB-LBPRGKRZSA-N 308.378 1.124 0 40 DDAB Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccs2)cn1 96100344 XRFZUVMODMSCPM-KBPBESRZSA-N 302.403 1.861 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 96049749 VFBFJCSWWTUFIB-QGZVFWFLSA-N 319.405 1.033 0 40 DDAB NC(=O)c1nc2c(s1)CCN(C(=O)c1ccccc1)CC2 96146986 VJSKRXIZHJQMEC-UHFFFAOYSA-N 301.371 1.483 0 40 DDAB CN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cccc([S@@](C)=O)c1 96491454 RPGHMASQXPBUEL-UZJPJQLHSA-N 324.324 1.811 0 40 DDAB Cn1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCC3)C2)n1 96206869 XZHNHFWKDYUINF-RHSMWYFYSA-N 319.405 1.325 0 40 DDAB COCC(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 96161360 FYEAZSUPLKWROJ-AWEZNQCLSA-N 302.374 1.155 0 40 DDAB N[C@@H]1CCCCC[C@H]1NC[C@@H](N1CCOCC1)C(F)(F)F 332298546 GUKLOPQCDCABPA-JHJVBQTASA-N 309.376 1.499 0 40 DDAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 96297465 NAQIJCQLXXDZDG-JTQLQIEISA-N 305.725 1.822 0 40 DDAB O=C(O)[C@@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 96515941 GKVYPJABAMBYOV-SSDOTTSWSA-N 315.255 1.444 0 40 DDAB CC(=O)Nc1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1 96296266 BBISTKVFTRNGQH-HNNXBMFYSA-N 300.362 1.530 0 40 DDAB biogenic,in-vitro Cc1nc(C2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)no1 95426498 WTCFUVZPKHFHBZ-HNNXBMFYSA-N 314.389 1.654 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 96056706 RUXIBXBDOXOKLV-GVDBMIGSSA-N 315.417 1.587 0 40 DDAB CNC(=O)c1cc(C[C@H]2CCCN(C3CCOCC3)C2)ncn1 257286034 PJYFDWBMIOSYBX-CYBMUJFWSA-N 318.421 1.270 0 40 DDAB CC(C)(N)C(=O)N1CCC2(CC1)CO[C@@H](Cc1cccnc1)C2 257263210 LOXDGENGZNAAQK-HNNXBMFYSA-N 317.433 1.759 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257330370 XOCDCYDTHHTCAU-ZDUSSCGKSA-N 318.402 1.693 0 40 DDAB COc1ccc([C@H]2CN(C(=O)c3nccn3C)CCN2C)cc1 257276836 NVIYSSAHKHISOO-OAHLLOKOSA-N 314.389 1.558 0 40 DDAB Cc1ccc(C[C@@H]2CCCN(C(=O)CN3CCOCC3)C2)cn1 257209101 BOYXYKFDXYOOSI-KRWDZBQOSA-N 317.433 1.503 0 40 DDAB CN(C)c1nccc(C2CCN(CC3(O)CCOCC3)CC2)n1 257344600 ZXYPWRABSWJZCA-UHFFFAOYSA-N 320.437 1.264 0 40 DDAB c1cn(-c2cncc([C@@H]3CCCN(Cc4ncc[nH]4)C3)n2)cn1 257304113 SKDNTDNQRJEFGK-CYBMUJFWSA-N 309.377 1.765 0 40 DDAB O=C([C@H]1CCc2ccccc2O1)N1CC(Nc2ncccn2)C1 253471611 DJVVVAZYBAHPDJ-OAHLLOKOSA-N 310.357 1.493 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@H]1c1ccn[nH]1 257308982 TZAAUNVHWPFOMF-HNNXBMFYSA-N 317.393 1.963 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@H](c3nccs3)C2)CC1 257288283 PTPJVHBQXOVWHB-AWEZNQCLSA-N 323.462 1.696 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NCCO[C@@H]1CCCCO1 585142357 UDVOQBDYHMAZKQ-JKSUJKDBSA-N 307.390 1.904 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cc(C)oc1C)[C@H](C)C2 585097136 FZUSFHXWSXSMCF-SNVBAGLBSA-N 318.377 1.721 0 40 DDAB CCCn1c(=O)n(CC(=O)NC2CCOCC2)c2ccccc21 48274347 MIGZKSYRVZKSON-UHFFFAOYSA-N 317.389 1.508 0 40 DDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53142357 RGRKOVVMTBZEPB-HNNXBMFYSA-N 324.402 1.278 0 40 DDAB O=C(Cc1ccc(-n2cnnc2)cc1)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 97372546 HBPVDECVXXGREP-AWEZNQCLSA-N 454.430 2.299 0 40 DDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc2c1OCCO2 103628094 QWPZKEHPQVSBON-ZNIXKSQXSA-N 315.325 1.919 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2cccnc2)oc1=O 12115866 YOPGWYZPCONJST-TXEJJXNPSA-N 316.361 1.688 0 40 DDAB N[C@@H](C[C@H](Cc1ccc(Br)cc1)C(=O)O)C(=O)O 12648834 FQRCZSAKWFPCPE-WPRPVWTQSA-N 316.151 1.494 0 40 DDAB Cc1ncsc1-c1nnc(CNC(=O)c2ccccn2)o1 19563304 MMNPDZNCMOBVTJ-UHFFFAOYSA-N 301.331 1.827 0 40 DDAB CCN1CCN(C(=S)SCc2cn3cccnc3n2)CC1 19879562 LBAFOSJXDXHOKV-UHFFFAOYSA-N 321.475 1.885 0 40 DDAB C=CC(=O)O[C@@H](C)COC[C@@H](C)OC[C@@H](C)OC(=O)C=C 6036696 ZDQNWDNMNKSMHI-FRRDWIJNSA-N 300.351 1.644 0 40 DDAB CC(C)N(C(=O)CSc1nc(=O)n2ccccc2n1)C(C)C 4499787 HTHSXFHYEBLUSN-UHFFFAOYSA-N 320.418 1.827 0 40 DDAB Cc1ccc(N2C[C@@H](NC(=O)N3CCOCC3)CC2=O)cc1 5123355 NZUMZKQICMTURL-ZDUSSCGKSA-N 303.362 1.142 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)c1 22584966 YIEUUQKUWPEFQC-OAHLLOKOSA-N 319.405 1.333 0 40 DDAB COC(=O)[C@H](CNC(=O)OC(C)(C)C)N[C@H]1CSC1(C)C 393813675 FCQHFAXMWLXBQT-UWVGGRQHSA-N 318.439 1.536 0 40 DDAB c1ccc(N2C[C@@H]3CN(Cc4nnc5n4CCC5)C[C@H]3C2)cc1 1888853339 GZSPVFIXPJNZKG-GJZGRUSLSA-N 309.417 1.793 0 40 DDAB Cc1ccc(N2C[C@H]3CN(c4ncc(Cl)cn4)C[C@@H]3C2)nn1 1888853801 UCPUDJIHWKAHEF-RYUDHWBXSA-N 316.796 1.801 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCc1ccccc1 13598115 QEIAMNRJKKFGMY-UHFFFAOYSA-N 304.375 1.315 0 40 DDAB C[C@@H]1COCCN1C(=O)CCc1nc(-c2ccncc2)no1 29924853 WQLXJYAMWWQNQW-LLVKDONJSA-N 302.334 1.312 0 40 DDAB C[C@H]1CN(CCn2nccn2)CCN1Cc1cc(F)cc(F)c1 2086939578 VAIGEYHZZUNJQD-ZDUSSCGKSA-N 321.375 1.763 0 40 DDAB O=C(CCc1ccc[nH]1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565550136 QVEBLXXHXCHCKC-ZBFHGGJFSA-N 315.417 1.664 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 3959126 PUBFKRMZYRISMK-CKYFFXLPSA-N 320.242 1.636 0 40 DDAB CCOc1ccc(C(=O)NCc2nnnn2-c2ccccc2)cc1 10592936 SRZNXAOLWJHGBW-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB CN(C(=O)CSc1ncnc2c1nnn2C)c1ccccc1 13531915 PKHLUTVMSQXGOU-UHFFFAOYSA-N 314.374 1.513 0 40 DDAB Cc1nn(CCNC(=O)N2CCNC2=O)c(C)c1-c1ccco1 575616064 VHQVOPAWUPWUAJ-UHFFFAOYSA-N 317.349 1.495 0 40 DDAB O=C(NC[C@@]1(OCCO)CCOC1)c1ccc(Cl)s1 617718375 YAVLNVFVSQCFKG-LBPRGKRZSA-N 305.783 1.299 0 40 DDAB O=C(N=c1cco[nH]1)[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298045496 LQYHHSOHZKWEFY-ZDUSSCGKSA-N 317.320 1.755 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H](O)c2ccoc2)c(C)c1 75171844 LADZDQNWBKHUKR-ZDUSSCGKSA-N 311.359 1.609 0 40 DDAB CC(C)(C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 188961 IYRJRYLMAIMWGL-UHFFFAOYSA-N 317.345 1.378 0 40 DDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@H]1CC(=O)N(CC2CC2)C1 40511992 PCCRXODRHUROLP-ZETCQYMHSA-N 317.271 1.021 0 40 DDAB C[C@@H]1CCCN(CCNS(=O)(=O)c2ncn(C)c2Cl)C1 40528142 JMUFBINFGCZIAQ-SNVBAGLBSA-N 320.846 1.084 0 40 DDAB O=C(NCc1ccccc1CN1CCCC1=O)Nc1cn[nH]c1 46080270 SSGYYSHQHFUFEB-UHFFFAOYSA-N 313.361 1.854 0 40 DDAB CC(C)(O)[C@H]1CCCN1C(=O)NCc1cn2ccccc2n1 97114138 MOHFBTMDBQFAKS-CYBMUJFWSA-N 302.378 1.779 0 40 DDAB CCn1nnnc1SCC(=O)N1CCCc2ccccc21 410537 MWQALPGHKXMWRN-UHFFFAOYSA-N 303.391 1.765 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCC(N2CCNC2=O)CC1 52217747 SXCFQRHOXRINRC-JTQLQIEISA-N 305.382 1.498 0 40 DDAB Cc1nn(CC(C)C)c(N(C)C)c1CNCc1cnn(C)c1 69570283 ROJUTLKCPYXREI-UHFFFAOYSA-N 304.442 1.937 0 40 DDAB C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)[C@@H]1CCCO1 2788045 TXBRDJPMJNEOAE-AAEUAGOBSA-N 301.350 1.024 0 40 DDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1 76045309 CUSPYOKCGICYNU-LLVKDONJSA-N 305.338 1.186 0 40 DDAB C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1N1CCOCC1 76053426 DSNPBDBNRWQVIW-WBVHZDCISA-N 314.429 1.897 0 40 DDAB COC[C@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1F 76083647 DYCRAAKRTOVIAU-WRWORJQWSA-N 319.174 1.739 0 40 DDAB Cc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 102293732 CMFIBCBCGQEKAK-UWVGGRQHSA-N 320.374 1.126 0 40 DDAB CCc1cnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900537 AKDUKESVAVLOOW-SNVBAGLBSA-N 303.366 1.439 0 40 DDAB C[C@H](CO)SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 79089794 QTKLLYNACYDAAW-SSDOTTSWSA-N 314.432 1.388 0 40 DDAB C1C[C@@H](C2OC([C@@H]3CCOC3)OC([C@@H]3CCOC3)O2)CO1 4944040 WUUWFOUZAJPQLX-HAQCPCEFSA-N 300.351 1.138 0 40 DDAB COCC(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C 32905121 NQEWQVVBWLOFDM-OAHLLOKOSA-N 319.361 1.289 0 40 DDAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC)C1=O 32957498 LYMFVHYZBGCQIU-KRWDZBQOSA-N 317.389 1.760 0 40 DDAB COC(=O)[C@@H]1C(=O)[C@H](C(=O)CC[C@@H]2CCCO2)C(=O)CC1(C)C 100768361 XGEULGNSRGWTSS-GDLCADMTSA-N 324.373 1.488 0 40 DDAB biogenic Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)on1 33119395 RCJXTNZISXEZNC-SECBINFHSA-N 301.302 1.805 0 40 DDAB CNC(=O)CN(C)Cc1csc(-c2ccc(OC)cc2)n1 53148408 VUCWYLKOCSFTEH-UHFFFAOYSA-N 305.403 1.997 0 40 DDAB CN(C)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cn1 22394460 ZRIBPUBMTYCQPT-UHFFFAOYSA-N 312.373 1.906 0 40 DDAB NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22036474 DSRFEQQOFDQPJI-UHFFFAOYSA-N 309.413 1.879 0 40 DDAB Cc1ccc(NC(=O)CCn2nc3ccccn3c2=O)cc1F 69697343 AQIAEVMHRKAXEL-UHFFFAOYSA-N 314.320 1.972 0 40 DDAB Cc1ccc(NCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(F)c1 22893922 OXVVSHZMVURFOX-AWEZNQCLSA-N 314.382 1.239 0 40 DDAB CCOCCN1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C 69745039 MGYCULHRPOKZKL-BBRMVZONSA-N 323.412 1.395 0 40 DDAB Cc1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(C)o1 3256326 XLBLLJCAAVCLTN-UHFFFAOYSA-N 316.313 1.791 0 40 DDAB O=C(C[C@@H]1[C@@H]2CN(CC3CCOCC3)C[C@@H]21)NCc1ccco1 107745981 DQDXZCZRKPDPFL-BJWYYQGGSA-N 318.417 1.890 0 40 DDAB CC1(C)Cc2occc2[C@@H](NC2CCN(CC(N)=O)CC2)C1 97016512 AFSJGVAOWUURIO-AWEZNQCLSA-N 305.422 1.832 0 40 DDAB Cc1nc2ccccc2nc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 106844377 NTKQGNOMCSQPSI-UONOGXRCSA-N 314.433 1.825 0 40 DDAB COc1ccc(CNCCNC(=O)Cc2ccccc2)cc1O 69977769 YQSCFANMUZMTQB-UHFFFAOYSA-N 314.385 1.849 0 40 DDAB Cc1ccc(CN(C)C(=O)CN(C)c2ncnc3[nH]cnc23)o1 56117537 SNLQBARPLUIXGW-UHFFFAOYSA-N 314.349 1.349 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C1 57312665 YJWRAXSSWSGNPH-VXGBXAGGSA-N 322.409 1.005 0 40 DDAB COc1cccc(NC(=O)[C@@H](Cc2ccncc2)c2nnn[nH]2)c1 57523531 VKBNYUNQICZIMI-AWEZNQCLSA-N 324.344 1.568 0 40 DDAB c1cn2c(n1)CN(C[C@H]1CCOC1)C[C@@H](CN1CCCC1)C2 107209358 PCQNUJGXYAWLLT-HZPDHXFCSA-N 304.438 1.447 0 40 DDAB O=C(NCCc1cccc(O)c1)C(=O)Nc1ccc(F)cc1 72291103 KYNYEKKTDOLPOD-UHFFFAOYSA-N 302.305 1.829 0 40 DDAB CCc1cc(=O)oc2cc(OCC(=O)NCCC(=O)O)ccc12 2087529 QGDPZKCLHUTQDR-UHFFFAOYSA-N 319.313 1.325 0 40 DDAB biogenic CC(C)N1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)C1 58018219 SKXMTOVBSTWAKK-OLZOCXBDSA-N 307.394 1.244 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ccccn2)CC1 10042833 TVEGILPDAXNLFS-UHFFFAOYSA-N 313.405 1.323 0 40 DDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1ccncc1 44716480 NWHFCQLEILZLJK-WCQYABFASA-N 313.423 1.223 0 40 DDAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc2c(c1)CCO2 44894739 LKJULXYUYXXKIV-UHFFFAOYSA-N 322.430 1.527 0 40 DDAB CNC(=O)C1(NS(=O)(=O)c2cc(F)ccc2C)CCCC1 58278810 IRTBZDXDJNLPGH-UHFFFAOYSA-N 314.382 1.471 0 40 DDAB CCCc1noc([C@@H](C)N2CCC(NC(=O)COC)CC2)n1 44948997 PZVZGYZCCVMUHU-LLVKDONJSA-N 310.398 1.310 0 40 DDAB COCCn1cc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)cn1 44969387 MKTVZEWXWMFQDT-KGLIPLIRSA-N 323.441 1.914 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 58394042 YNCQXLFIVXVUOR-GJZGRUSLSA-N 310.438 1.909 0 40 DDAB Cc1nc2c3ccccc3nc(S[C@@H]3CCOC3=O)n2n1 12790318 LZJVAKYXAVFSKI-LLVKDONJSA-N 300.343 1.994 0 40 DDAB O=C(CCn1cncn1)Nc1cc(C(F)(F)F)c[nH]c1=O 45837714 OTCZWWUYXGOMJN-UHFFFAOYSA-N 301.228 1.014 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1cccc(N(C)C)c1 3400176 GUXRJWKSWUIZIU-UHFFFAOYSA-N 307.350 1.145 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCCC2)c1C 3544324 ACPGVUVPMACWBR-UHFFFAOYSA-N 322.361 1.587 0 40 DDAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCNC(=O)C1 3540176 DAQLQJHUYSHONM-MRVPVSSYSA-N 316.188 1.752 0 40 DDAB O=C(CN1C(=O)C(=O)c2ccccc21)NCCc1ccccc1 3640279 DLPGRXZQESYPTH-UHFFFAOYSA-N 308.337 1.575 0 40 DDAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COCc2ccco2)C1 13146016 ZJNIFIHUHWUOJP-UONOGXRCSA-N 311.378 1.432 0 40 DDAB Cc1cc(N[C@H](C)C(=O)N(C)CC(=O)NC2CC2)ccc1F 96437050 FGPZWCPUKTXKNV-LLVKDONJSA-N 307.369 1.672 0 40 DDAB CCOC(=O)CCCNC(=O)COc1ncnc2sccc12 6052901 MNWYSDXTXMUREE-UHFFFAOYSA-N 323.374 1.530 0 40 DDAB Cc1cccc([C@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)c1 22239097 CLPHXYIMJAKNDI-AWEZNQCLSA-N 305.341 1.992 0 40 DDAB COC(=O)c1ccc(Cn2nc(-c3ccco3)oc2=O)cc1 18394208 HCXTWNBXDNCPTC-UHFFFAOYSA-N 300.270 1.931 0 40 DDAB Cn1ncc2c(NCCO)nc(Nc3ccc(F)cc3F)nc21 4374999 XEYJWZLQHILVKI-UHFFFAOYSA-N 320.303 1.789 0 40 DDAB C[C@H]1CN(CCNCc2c[nH]nc2-c2cccnc2)C[C@@H](C)O1 65473303 JAFLZPDOQFYJKL-OKILXGFUSA-N 315.421 1.671 0 40 DDAB C[C@@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc21 65434475 BQGOKYLPDXLGAR-LBPRGKRZSA-N 319.430 1.723 0 40 DDAB CN1CCC(NC(=O)CCc2nncn2-c2ccccc2)CC1 72298599 LRQYGEBBJNBAOG-UHFFFAOYSA-N 313.405 1.410 0 40 DDAB Cc1cc(CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)no1 14108396 ZMEILTQWDIXFJV-MRVPVSSYSA-N 315.376 1.560 0 40 DDAB O=C(N[C@@H]1CCSC1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4815881 MABKNRCSDAHHRS-BXKDBHETSA-N 322.361 1.327 0 40 DDAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]12 14987470 PQRURSASPIIZFM-HYSWKAIVSA-N 300.358 1.881 0 40 DDAB O=C1OCCN1CCN1CCO[C@@H](c2ccc(F)c(F)c2)C1 66849833 JNGVDQSGAPLPMX-CQSZACIVSA-N 312.316 1.790 0 40 DDAB COc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)ccc1C 7145688 NTWRRNHMPMHSRM-CYBMUJFWSA-N 307.346 1.456 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1 68539618 SMGZTTVPADQIOI-STQMWFEESA-N 320.389 1.654 0 40 DDAB COC[C@H](C)N1C[C@H](C(=O)Nc2cccc(OC)c2)CC1=O 8235052 RZFZKMLIELCBMC-NWDGAFQWSA-N 306.362 1.517 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)OCc2cnn(-c3ccccc3)n2)cn1 70018968 HNZFYLRGDFMKMF-JKSUJKDBSA-N 323.356 1.848 0 40 DDAB CCN1CCO[C@@H](CNCc2ccnc(-c3ccccc3)n2)C1 70004013 RGBTYKRGQKDICH-KRWDZBQOSA-N 312.417 1.954 0 40 DDAB O=C(COn1nnc2ccccc21)NCCc1cccs1 69386249 MRJCEAGALKNEQR-UHFFFAOYSA-N 302.359 1.280 0 40 DDAB COC(=O)c1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1 9366408 JFUHMPIIEPALOC-UHFFFAOYSA-N 309.347 1.614 0 40 DDAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 8395695 SHJFAKWLOMEFKW-UHFFFAOYSA-N 316.810 1.921 0 40 DDAB CC(C)N1C[C@@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CC1=O 71865231 IPHBZSZLNBXGHC-LSDHHAIUSA-N 318.421 1.521 0 40 DDAB C[C@H](NC(=O)CCn1cncn1)c1nc2c(s1)CCCC2 71896306 MPBCSPFXUBNWHV-JTQLQIEISA-N 305.407 1.881 0 40 DDAB NC(=O)c1cccc(CN[C@@H]2CCCN(c3cccnn3)C2)c1 71859698 KORLETLSGYINFF-OAHLLOKOSA-N 311.389 1.334 0 40 DDAB COC(=O)c1ccc(CSc2nnnn2C2CCOCC2)o1 71879395 JKYKTGPNPKVFOE-UHFFFAOYSA-N 324.362 1.697 0 40 DDAB CCn1ccc2ccc(NC(=O)N3CCN(C)C(=O)C3)cc21 72313649 DUDWAZKLGQZGQJ-UHFFFAOYSA-N 300.362 1.967 0 40 DDAB O=C(Nc1nncs1)N[C@H]1CCN(Cc2ccccc2)C1 43130873 LTPVYHWJKOKPKY-LBPRGKRZSA-N 303.391 1.934 0 40 DDAB CCCN(CC(F)F)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 84755154 QQULHHCBZRTKKB-ZANVPECISA-N 306.378 1.944 0 40 DDAB O=S(=O)(c1ccc(CNC2CCC2)cc1)N1CCOCC1 95427068 IIILPSYQZIXFAG-UHFFFAOYSA-N 310.419 1.350 0 40 DDAB Cc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ncn1 95413928 YJPALZYTTKSSMD-IAGOWNOFSA-N 310.401 1.875 0 40 DDAB CC(C)CN1CCC[C@H](CNC(=O)NC2(CCO)CCC2)C1 95431076 JYEQVKJKSBZEPJ-OAHLLOKOSA-N 311.470 1.959 0 40 DDAB Cn1cc(Br)cc1C(=O)NC[C@@H](O)c1ccco1 95417245 GKJVXMURGKTRRB-SNVBAGLBSA-N 313.151 1.844 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)c2nccn3ccnc23)C12CCC2 95404711 AJLYSZIFBWGNQN-VXGBXAGGSA-N 300.362 1.807 0 40 DDAB CC(C)OCCNC(=O)NCc1cc(=O)[nH]c2ccccc12 95939455 HYAGDCXPQWHKKR-UHFFFAOYSA-N 303.362 1.752 0 40 DDAB Cc1nonc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 89556403 HRPMUKFEWBVLMF-JTQLQIEISA-N 307.331 1.027 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C[C@H](O)Cn2cccn2)n1 75132993 OWCIJWZRLQLOFT-SJORKVTESA-N 317.437 1.612 0 40 DDAB O=C1NC[C@@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)N1 89768220 UHDIBFDDZGVUKV-JTQLQIEISA-N 314.172 1.560 0 40 DDAB COCc1ccccc1CNC(=O)Cn1cccc(C)c1=O 89700354 SNUMLINNHCEZIW-UHFFFAOYSA-N 300.358 1.620 0 40 DDAB COC(C)(C)CNCc1ccccc1N1CCN(C(C)=O)CC1 89954532 SRWAWWDWXWBUCK-UHFFFAOYSA-N 319.449 1.870 0 40 DDAB CCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1nnn[nH]1 89949665 OCKQYVAXEVCLHU-SNVBAGLBSA-N 313.321 1.521 0 40 DDAB CC(C)CCN(C(=O)CN(C)S(C)(=O)=O)C1CCCC1 75572347 VPHWHNVWAYEKHY-UHFFFAOYSA-N 304.456 1.695 0 40 DDAB O=C(CN1CC(n2cccn2)C1)NCCc1ccc(F)cc1 75605808 IBTWWLZNKNEPDQ-UHFFFAOYSA-N 302.353 1.238 0 40 DDAB CCc1nnc(N2CCC(O)(c3nccn3C)CC2)nc1CC 1548434466 WXTWYGWFEITQSD-UHFFFAOYSA-N 316.409 1.218 0 40 DDAB COC1(c2cnnn2C)CN(c2ccnc(C(C)(C)C)n2)C1 1548520794 MNRYZVAEWCMWRP-UHFFFAOYSA-N 302.382 1.265 0 40 DDAB Cc1cccc(NC(=O)[C@H]2CN(C)CC3(CCNCC3)O2)c1 306127449 FYWBHXJWXMCKLY-OAHLLOKOSA-N 303.406 1.386 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cc12 42733712 UWLHEZHTKKTGLA-MWLCHTKSSA-N 315.377 1.003 0 40 DDAB O=S(=O)(CC12CCC(CC1)C2)NC[C@H](O)[C@H]1CCCO1 528483588 GSVUVSLMLCWGGY-YIFLHPOLSA-N 303.424 1.026 0 40 DDAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCCN(c2ncccn2)CC1 79000178 PYZQYUBBJSRFKZ-HZPDHXFCSA-N 323.400 1.714 0 40 DDAB Cc1nscc1C(=O)NC(C)(C)c1noc(CN(C)C)n1 181900764 IJPOSXKOZRWZIA-UHFFFAOYSA-N 309.395 1.561 0 40 DDAB Cn1nc([C@H]2CCCN(C[C@@H]3CCOC3)C2)c2nccnc21 72393853 FFROMVGROGKPKJ-STQMWFEESA-N 301.394 1.579 0 40 DDAB C[C@H](c1ccccc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 78915104 QBUBENBSRLJYRP-IUODEOHRSA-N 319.380 1.310 0 40 DDAB N[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 72228220 VPAYLQXRQXFVFV-HZPDHXFCSA-N 314.316 1.965 0 40 DDAB NC(=O)CN1CCO[C@@H](COc2cc(Cl)ccc2Cl)C1 217495615 MQMZUGXKOMMLLQ-SNVBAGLBSA-N 319.188 1.558 0 40 DDAB CO[C@@]1(C)C[C@@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 73274191 ZCUSDDJVHZLCLI-DYVFJYSZSA-N 304.390 1.736 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C2)nn1 225427352 IMXSGZACHANJQE-HOCLYGCPSA-N 313.357 1.498 0 40 DDAB CCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223249523 IXFQXCSUJMLIAG-NSHDSACASA-N 314.407 1.376 0 40 DDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccccc2O)c1C 40285005 IDIRXPWWEYFUEV-UHFFFAOYSA-N 316.361 1.480 0 40 DDAB COc1cc2[nH]c(-c3n[nH]c(C4CC4)n3)nc(=O)c2cc1OC 571744240 XGMGUHXYYYAWEV-UHFFFAOYSA-N 313.317 1.603 0 40 DDAB Cc1cccc(C)c1OCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 61650463 RVHABHYLPBBBTC-JKSUJKDBSA-N 318.417 1.662 0 40 DDAB C[C@@H](CCNC(=O)N1CC(C)(C)OC(C)(C)C1)[S@](C)=O 195574895 NXMXFOVGJWHTIE-YBTHPKLGSA-N 304.456 1.743 0 40 DDAB CCc1ccc([C@H]2COCCN2CCC(=O)N2CCOCC2)o1 96412991 IAFAMMJZCRSXFK-OAHLLOKOSA-N 322.405 1.464 0 40 DDAB CN(C)CCOC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1 96188956 DZAGDDQGTJKPFN-INIZCTEOSA-N 318.421 1.686 0 40 DDAB CNC(=O)NC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 96403853 OGHRMGXTKNBWSO-GFCCVEGCSA-N 319.361 1.398 0 40 DDAB C[C@@H](O)CN(C)C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 96490364 OQVHRVUEQLLTSJ-OCCSQVGLSA-N 302.378 1.716 0 40 DDAB O=C(N1CCn2nccc2C1)C1(c2ccccc2)CCOCC1 238890298 QNJVYQLOLBWRSI-UHFFFAOYSA-N 311.385 1.974 0 40 DDAB CCOC[C@H]1C[C@]2(COCCN2C(=O)c2ccccc2F)CO1 96240712 ZVWLOKGTMGYPQR-DYVFJYSZSA-N 323.364 1.862 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)no1 96215882 LZBIHZQCYSWQBT-GMXVVIOVSA-N 318.333 1.147 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CN1C 96207593 BDNPOCHVSZDPCQ-ZDUSSCGKSA-N 316.392 1.991 0 40 DDAB CN1CC2(CCN(S(C)(=O)=O)CC2)C[C@@H]1COCC1CC1 96216499 UMTUUMHAFGTGJF-CQSZACIVSA-N 316.467 1.159 0 40 DDAB O=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 96072634 YDBQQEIMGZHBSM-WMZOPIPTSA-N 324.384 1.962 0 40 DDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccoc3)[C@@H]2C1 248044796 WCSZDUOVMNTLLJ-XHSDSOJGSA-N 322.405 1.364 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1Cl 257295890 RAHSBVQQZFYVQU-DOMZBBRYSA-N 324.808 1.964 0 40 DDAB CN1CCC[C@@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 257276738 NUXQLSDZBJXSJU-CYBMUJFWSA-N 318.377 1.749 0 40 DDAB Cc1cnc(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)nc1 253601120 JXNAAANJVLILOS-HUUCEWRRSA-N 309.373 1.560 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cc(O)nc(O)n1 257271798 MZVPOBNZNYOGGM-JTQLQIEISA-N 303.322 1.287 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc3ncccc3c2)CCO1 257263663 LQYAZUAMRUSVAY-QGZVFWFLSA-N 313.357 1.212 0 40 DDAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)n1 257243702 IIEOQWJEYIVDBQ-ZDUSSCGKSA-N 301.394 1.790 0 40 DDAB COc1ccc([C@H]2Cn3ccnc3CN2S(C)(=O)=O)cc1 257249000 JGGJLQMDZWZTNQ-CYBMUJFWSA-N 307.375 1.408 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)c1F 390828282 PSMBYAYJJZABDP-SNVBAGLBSA-N 317.324 1.262 0 40 DDAB Cn1cc(C(=O)NC[C@H](c2cccs2)n2cccn2)nn1 575604720 DTCQQTJRHSRNTO-LLVKDONJSA-N 302.363 1.093 0 40 DDAB CCCS(=O)(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099004 APCGHEIMDMFERY-CQSZACIVSA-N 313.423 1.234 0 40 DDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2cc[nH]n2)CCO1 585275280 BVARCQRPYXGQJE-QGZVFWFLSA-N 315.373 1.164 0 40 DDAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)o1 585110795 GXZYUVPYKCBXHX-CQSZACIVSA-N 316.405 1.946 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)NC[C@H]1COc2ccccc2O1 44945279 FGWNSZAPIOWGRE-NSHDSACASA-N 302.334 1.988 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1ccnc(OC2CCCC2)c1 46581080 SAOJDRQBFVMJSL-SNVBAGLBSA-N 306.366 1.076 0 40 DDAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1nncn1C 46962685 HYCGRGHVMDJPAJ-NSHDSACASA-N 315.381 1.693 0 40 DDAB CN(CCNC(=O)[C@H]1CCN(C)C(=O)C1)Cc1ccccc1 53348623 OICVXFMXDFRYBM-HNNXBMFYSA-N 303.406 1.103 0 40 DDAB CN(C)C[C@@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1 69818937 OOMPESBUZOZPST-CYBMUJFWSA-N 319.434 1.363 0 40 DDAB Cc1cnc(CN(C)[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)o1 84258980 HPRIMZGPCFSETR-HNNXBMFYSA-N 316.405 1.388 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)C(=O)NCC(F)(F)F 107504837 ADPLCGBFTOTHFV-YUSALJHKSA-N 323.359 1.290 0 40 DDAB CN(C)c1ccc(NC(=O)Cn2nnc(-c3cccnc3)n2)cc1 417031 MRFVSUUNIPZNPA-UHFFFAOYSA-N 323.360 1.440 0 40 DDAB COC(=O)[C@@H]1CC(=O)N([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 1772714687 IWZRRKWEDZKDQQ-NEPJUHHUSA-N 313.394 1.764 0 40 DDAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)CC1 12783115 MQRXXIMQKNQZGY-OAHLLOKOSA-N 318.421 1.607 0 40 DDAB COCC(=O)Nc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 14404588 ARDJMPVHUMBVCE-UHFFFAOYSA-N 302.334 1.864 0 40 DDAB COc1ccc(-n2[nH]c3[nH]c4c(c(=O)c3c2=O)CCCC4)cc1 17032265 UFFHVAWWMRHIEO-UHFFFAOYSA-N 311.341 1.895 0 40 DDAB COc1cc2c(c(OC)c1OC)CC[C@@]1(C)C(=O)NCN=C21 19626010 NMSJSOFNJQZTAO-MRXNPFEDSA-N 304.346 1.541 0 40 DDAB Fc1cnc(OC2CCN(c3nccn4nccc34)CC2)nc1 1888868562 HLGQBSXIBAHNOF-UHFFFAOYSA-N 314.324 1.706 0 40 DDAB COCc1c(C(=O)N2CC[C@H](C(N)=O)C2)oc2ccccc12 41127531 VXYXXWWCHUMTOQ-JTQLQIEISA-N 302.330 1.527 0 40 DDAB Cc1ccc(CNS(=O)(=O)c2sc(=O)[nH]c2C)cc1F 32902726 UVBKUYWZCAYTPE-UHFFFAOYSA-N 316.379 1.671 0 40 DDAB CCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840878 UWLSGWZIFUHCQJ-INIZCTEOSA-N 306.337 1.570 0 40 DDAB CC1CCN(C(=O)[C@@]23C[C@H]2CCN3C(=O)c2cnco2)CC1 2056225246 LXIUCRJEMACWIZ-MLGOLLRUSA-N 303.362 1.538 0 40 DDAB O=C(N1CC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1)C1(F)CCC1 1565548219 VEVOMQNMQRBFSA-DOMZBBRYSA-N 320.368 1.541 0 40 DDAB O=C(Cc1ccccc1)NCCn1nc(-c2ccco2)ccc1=O 8954560 LYPDGXISLHUJJT-UHFFFAOYSA-N 323.352 1.862 0 40 DDAB O=C(NCC1CC1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713483 UUCNBRCVDGZPLJ-CYBMUJFWSA-N 316.405 1.208 0 40 DDAB CSc1ccccc1C(=O)NC[C@@]1(OCCO)CCOC1 617716003 FZLUYOSRPZNZBH-HNNXBMFYSA-N 311.403 1.306 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)NCCCn2cccn2)cc1 30171086 RPCYGGFXMIBUJK-UHFFFAOYSA-N 307.375 1.107 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)NC1CCN(C2CC2)CC1 31030622 MPUGZLDSQXUXSO-UHFFFAOYSA-N 317.389 1.841 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(-c2ccc(C)cc2)no1 31284853 VOVVDJVDYBADDP-UHFFFAOYSA-N 301.346 1.906 0 40 DDAB CC(C)(C)c1noc(CCC(=O)N2CCC(C(N)=O)CC2)n1 31214449 IBYPDNNZLIDCKN-UHFFFAOYSA-N 308.382 1.024 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nnsc2Cl)CC1 40466176 KRDBLADFHGWUIR-JTQLQIEISA-N 316.814 1.015 0 40 DDAB O=C(CS(=O)(=O)Cc1ccc(F)cc1Cl)N1CCC1 40543120 XLSFKVARFXSXJR-UHFFFAOYSA-N 305.758 1.626 0 40 DDAB CN(CCNC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 46176148 NKHRNBCSUYNFIP-HNNXBMFYSA-N 315.417 1.498 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2c(C)nn3cccnc23)c1 70036547 PRJIIVKSJDOASB-CQSZACIVSA-N 324.388 1.847 0 40 DDAB O=C(COn1nnc2ccc(Cl)cc21)NCc1ccccc1 2646442 DZKIXSZFBDENPJ-UHFFFAOYSA-N 316.748 1.830 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](C(F)(F)F)C1 84136488 JNSXYEUXSOLMQF-ZJUUUORDSA-N 304.312 1.798 0 40 DDAB COc1ccccc1-n1nnnc1S[C@H]1C[C@@H](C)OC1=O 32736415 CMQLQFDPLLLIMW-KCJUWKMLSA-N 306.347 1.467 0 40 DDAB CCCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 1892750 NIMZQTDSYLTJFN-VIFPVBQESA-N 321.402 1.931 0 40 DDAB CC[C@H](C(=O)NC1CCN(CC(F)F)CC1)N(CC)CC 78822487 OWGWLRGUXOIELL-CYBMUJFWSA-N 305.413 1.953 0 40 DDAB NC(=O)c1ccc(/C=C/C(=O)N2CCN(CC3CC3)CC2)cc1 78985123 IEDHCJBWSPOBOI-VMPITWQZSA-N 313.401 1.353 0 40 DDAB Cc1ccc(OCC(=O)NCCS(=O)(=O)C(C)(C)C)cc1 79051908 UADMCULMXLOMQW-UHFFFAOYSA-N 313.419 1.703 0 40 DDAB CC[C@H](C)c1ccccc1OC[C@H](O)CN(CCO)CCO 2694469 BWBYPUBKWIJSCS-LSDHHAIUSA-N 311.422 1.226 0 40 DDAB CCc1noc(C)c1C(=O)NCc1ccc(NC(N)=O)cc1 32899625 WRXJIHVZAJEQMT-UHFFFAOYSA-N 302.334 1.966 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc(F)cc1 4362056 DFJORAFRJYBLAR-BFHYXJOUSA-N 305.353 1.554 0 40 DDAB C[C@@H]1C(c2ccccc2)=Nn2c(=O)n(-c3ccccc3)c(=O)n21 6437546 WYJFVPKJDKPEIY-GFCCVEGCSA-N 306.325 1.628 0 40 DDAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)O)ccc12 488978 NKMWABKCXZZXSA-UHFFFAOYSA-N 319.313 1.243 0 40 DDAB biogenic Cc1ccccc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 53234446 APCCUIFHDNQLPX-UHFFFAOYSA-N 314.341 1.911 0 40 DDAB C[C@H](C(N)=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8132359 ISEZQNAFPHZAME-MRVPVSSYSA-N 319.283 1.329 0 40 DDAB CC(C)COc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 41530144 UXSKOMWJGSKKEY-CYBMUJFWSA-N 311.403 1.638 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 22157738 HKIVHEJJCHODMO-SSDOTTSWSA-N 301.140 1.714 0 40 DDAB O=S(=O)(NC[C@@H]1CCCN1)c1ccccc1OC(F)(F)F 53254646 QWENBJFJWZBWHJ-VIFPVBQESA-N 324.324 1.616 0 40 DDAB C[C@H](NC(=O)N(C)CCOc1ccccc1F)c1nncn1C 46963763 QUIPALGIPDJTEZ-NSHDSACASA-N 321.356 1.736 0 40 DDAB Cc1ccc2cc(C(=O)Nc3cnn(CC(N)=O)c3)c(C)nc2c1 53414166 FXOGZMHJFKEELG-UHFFFAOYSA-N 323.356 1.786 0 40 DDAB CN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 54147707 PSFAFGCMDJOVPC-UHFFFAOYSA-N 315.377 1.275 0 40 DDAB CC(C)C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O 37406009 IIGHSDKFBXXTLM-SNVBAGLBSA-N 307.318 1.742 0 40 DDAB Fc1cnc(N2CCC3(CC2)C[C@H](N2CCCC2)CO3)nc1 107192644 UVRMLSLXOPJSMP-AWEZNQCLSA-N 306.385 1.839 0 40 DDAB O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)c(F)c1 106665549 WJVGXVUHNHIHBT-XJKSGUPXSA-N 323.343 1.596 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@@H]1OCCc2ccccc21 43511127 ATTKFHVKHXEYHH-IUODEOHRSA-N 307.371 1.377 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN(c2ccccc2)CC1 57290074 POHDUVCUEKGPGX-LBPRGKRZSA-N 315.339 1.876 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 106932022 SGHHLWGUZWCROH-KBRIMQKVSA-N 316.401 1.843 0 40 DDAB CN(C)c1cccc(COC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 72295934 KXINSJCAQVHCDW-ZDUSSCGKSA-N 302.374 1.807 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 72235698 PWLJWWFTVWCUBZ-OAHLLOKOSA-N 314.389 1.676 0 40 DDAB O=C(CSCC(=O)Nc1ncccn1)Nc1ccccc1 59271871 RGNGVBMKORWJJC-UHFFFAOYSA-N 302.359 1.787 0 40 DDAB C[C@@H](CCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)nn1 97164564 DAQNYJMNDHMDQK-QMMMGPOBSA-N 305.304 1.957 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1ccccn1)CS2 58131674 LFGKAXQILWLTKC-WFASDCNBSA-N 305.403 1.194 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)c2ccccc2O1 44895914 PIGBVRMEECMVJQ-HNNXBMFYSA-N 311.341 1.544 0 40 DDAB C[C@H](NC(=O)C1CCCC1)C(=O)Nn1cnc2ccccc21 58323606 ILVWOXQXTMIMDN-NSHDSACASA-N 300.362 1.801 0 40 DDAB COc1cccc(OCCNCc2c(C)nn(C)c2N(C)C)c1 58394277 BKVFMHXCYWTAJL-UHFFFAOYSA-N 318.421 1.972 0 40 DDAB O=C(NCC1CC1)NC[C@H](c1ccccc1)N1CCOCC1 45041120 IBIDDOCKFLNNDX-MRXNPFEDSA-N 303.406 1.769 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCC[C@@H]1CCCO1 58404948 NCAQDYSLGUYGFO-MELADBBJSA-N 322.405 1.237 0 40 DDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)C1CC1 48261632 SGULTCAKOIHPLD-ZUZCIYMTSA-N 317.368 1.819 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 58987305 DVGLGYVXKDDZTM-LSDHHAIUSA-N 316.401 1.755 0 40 DDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 3450080 CSYIGLQSNBTTEO-UHFFFAOYSA-N 317.301 1.186 0 40 DDAB Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c2n[nH]cc12 62639842 AXTYIPBUWUWKBQ-UHFFFAOYSA-N 320.330 1.698 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 12971981 LEHOQEMWEAPJGF-UHFFFAOYSA-N 301.390 1.488 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)CC1 69951495 TWPZZSZYVYCDIG-AWEZNQCLSA-N 310.825 1.798 0 40 DDAB CC[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69530668 QWKMTWJCIUDKMF-LBPRGKRZSA-N 314.389 1.893 0 40 DDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3n[nH]nc3c2)c1 6093478 JZHLQYJYUFAUKG-UHFFFAOYSA-N 318.314 1.457 0 40 DDAB C[C@H](NC(=O)N1CCC[C@H](O)C1)C(=O)N1CCc2ccccc21 69742283 UJJJMENKLREVFC-JSGCOSHPSA-N 317.389 1.131 0 40 DDAB O=C(Nc1cccc(-c2nnco2)c1)Nc1cnn(CCO)c1 69736996 GRGUOURXPWOZRE-UHFFFAOYSA-N 314.305 1.569 0 40 DDAB Cn1cc(CNC(=O)Nc2cnn(Cc3ccccc3)c2)cn1 65550629 SGIIHQHUUPCEJU-UHFFFAOYSA-N 310.361 1.987 0 40 DDAB Cc1ccc(C(=O)NCC(=O)N(C)CCN2CCCC2)cc1C 65610050 AOGRXGQFMRQPFV-UHFFFAOYSA-N 317.433 1.587 0 40 DDAB CN(C)CCN1CC[C@H]2[C@H]1CCN2C(=O)Cc1cccs1 306138765 SGQUIUBWPUKNSW-CABCVRRESA-N 307.463 1.527 0 40 DDAB CN(C)C[C@H]1CN(Cc2cccc(C(=O)N(C)C)c2)CCO1 69819198 DWJVDUQSVDMVKQ-INIZCTEOSA-N 305.422 1.151 0 40 DDAB CC[C@H](C(N)=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 69812457 BLUURWQREASZHY-CZUORRHYSA-N 305.422 1.638 0 40 DDAB Cc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1C 6870174 RRZPYRADALJMAS-UHFFFAOYSA-N 318.358 1.429 0 40 DDAB Cc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1 8844433 OHFGHPADWCCLBV-LLVKDONJSA-N 303.405 1.232 0 40 DDAB Cc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 8844435 XZVCGIORGNGIES-GFCCVEGCSA-N 303.405 1.232 0 40 DDAB CN(CCC1CCN(c2ccncc2)CC1)[C@@H]1CCNC1=O 92821604 PHWLKNCIMVYSOQ-MRXNPFEDSA-N 302.422 1.508 0 40 DDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCCCn2cncn2)c1 68787219 KOBKYHSPTQNACI-ZDUSSCGKSA-N 316.361 1.455 0 40 DDAB Cc1ccc(NC(=O)N2CCn3c(CO)nnc3C2)cc1Cl 72306211 IXLSNGOTPSYENX-UHFFFAOYSA-N 321.768 1.780 0 40 DDAB Cc1snc2sc3c(=O)[nH]c(CC(=O)NC(C)C)nc3c12 96008318 HPQXBCRSWOEARR-UHFFFAOYSA-N 322.415 1.970 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1 97230050 PZCXVXMJGXLDGU-NILFDRSVSA-N 302.374 1.878 0 40 DDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CSCC(N)=O 71821578 GIXCAHWOOQIWRD-MRVPVSSYSA-N 302.346 1.231 0 40 DDAB CC(C)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 95351145 KPYWNBBKRLIUQV-UHFFFAOYSA-N 309.841 1.982 0 40 DDAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12 95413310 RKVHBVBPLKIXLJ-GHMZBOCLSA-N 315.333 1.956 0 40 DDAB C[C@H](NC(=O)CCn1ccnc1)C1(N2CCOCC2)CCCC1 95406970 YVVHHCHWZCKLEK-HNNXBMFYSA-N 320.437 1.423 0 40 DDAB CC(C)(CCC(=O)N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 95436121 CBDNNFMFRCBSDO-OAHLLOKOSA-N 315.417 1.980 0 40 DDAB CCC[C@@H](CC(=O)OC)NC(=O)c1ccc(CNC(C)=O)o1 95458831 UWTXOOFUPJSWSX-NSHDSACASA-N 310.350 1.377 0 40 DDAB CC(C)CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccsc1 95440910 BXXCACAGRREURG-ZDUSSCGKSA-N 309.435 1.923 0 40 DDAB Nc1nc(Cl)cc(NNC(=O)[C@@H]2COc3ccccc32)n1 95467356 CVUSQAWEKPMJQM-MRVPVSSYSA-N 305.725 1.332 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1CCCN1C 95955539 URVCNCWHYGWQRZ-SJORKVTESA-N 315.417 1.170 0 40 DDAB Cc1cc(CN2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)on1 95963661 WQPROCHJSJPVCW-INIZCTEOSA-N 320.437 1.500 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1csc(Br)c1 89401236 FUARXRLYQYTNOR-IUCAKERBSA-N 320.208 1.619 0 40 DDAB CCc1n[nH]c([S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)n1 86330782 VOXFSYJRIAALNO-JOCHJYFZSA-N 324.381 1.272 0 40 DDAB Cc1cnn(C2CN(CC(=O)NCCc3cccs3)C2)c1 75132525 WHUNOVHDTZBZJQ-UHFFFAOYSA-N 304.419 1.469 0 40 DDAB Cc1nc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)sc1C 175667284 HUJDGZMEFJCNAI-LLVKDONJSA-N 303.409 1.459 0 40 DDAB COc1ccc(CCNC(=O)Cn2cccc2C=O)cc1OC 33508721 YWNSQOUDFCYOGJ-UHFFFAOYSA-N 316.357 1.677 0 40 DDAB CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1ccnc(C2CC2)n1 548811563 RTPQUNWXSMEIJX-CQSZACIVSA-N 316.405 1.731 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)CO 218413149 GGJUAAZIIXMRGQ-YNEHKIRRSA-N 303.811 1.178 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217408907 SHBPQKAVOVNQPT-UHFFFAOYSA-N 300.380 1.893 0 40 DDAB CS(=O)(=O)c1nsc(NC(=O)Cc2ccc(F)cc2)n1 36626343 BTSOYXXOTSXLIP-UHFFFAOYSA-N 315.351 1.262 0 40 DDAB COC(=O)c1ccc(-c2ccc(CNCCNCCO)o2)cc1 38245881 NEXHNJISPLACOH-UHFFFAOYSA-N 318.373 1.405 0 40 DDAB Cc1nc(CN2CCN(Cn3ncn(C)c3=S)CC2)cs1 30003296 LHPABBGBQPPKKE-UHFFFAOYSA-N 324.479 1.491 0 40 DDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCN(C)C1 78394509 VKKVHUXWLNBGSR-CYBMUJFWSA-N 324.446 1.693 0 40 DDAB Cc1nc(N2CCN(C=O)CC2)ccc1[C@@H](O)c1ccccc1 72224729 MXHJYVQENVWSFR-SFHVURJKSA-N 311.385 1.750 0 40 DDAB CC(C)=CCC[C@@H](C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 138707022 AYRGGDSIYYYSRA-LYUDMSCLSA-N 305.374 1.988 0 40 DDAB O=C(NCCCn1cncn1)c1sccc1Br 48150497 HYGGQSOCFSRYOM-UHFFFAOYSA-N 315.196 1.922 0 40 DDAB C[C@@H](CN(C)C(=O)c1cc(-c2ccccc2)no1)c1nnn[nH]1 195562619 APSQKHFGUBETMR-JTQLQIEISA-N 312.333 1.730 0 40 DDAB Cc1occc1SCCNS(=O)(=O)c1cnn(C)c1 131541814 HEKCSXSELYHWPU-UHFFFAOYSA-N 301.393 1.392 0 40 DDAB NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 85435919 VGRQTJKKLFRTDP-OFQRWUPVSA-N 306.337 1.890 0 40 DDAB biogenic,in-vitro C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)COc2ccccc2F)CC1=O 195531137 KRAQTSQHVKGKBO-MDZLAQPJSA-N 306.337 1.330 0 40 DDAB COC[C@H]1CN(C)C(=O)[C@@H]2CCN(C(=O)N3CCCC3)CC[C@H]12 96065562 AXTGUDYDMGUIFZ-RBSFLKMASA-N 323.437 1.265 0 40 DDAB COC[C@H]1CN(Cc2nccs2)Cc2nnn(CC3CC3)c21 96060887 IBCAIMANYZDSGU-GFCCVEGCSA-N 319.434 1.890 0 40 DDAB C[C@@H]1C[C@H](NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CN1C 90914450 XZZBGJNNIZOVPK-UBDQQSCGSA-N 303.450 1.304 0 40 DDAB Cc1c(NC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)nnn1C 334028897 JLRARSIYAHXKML-NTZNESFSSA-N 309.414 1.196 0 40 DDAB Cn1ccnc1CN1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158241 FJMCGEIZUUXZQO-QGZVFWFLSA-N 312.421 1.703 0 40 DDAB COC[C@H]1CN(C(=O)Cc2cccs2)Cc2cncn2C1 96207833 WFHVLMOBNMZWAX-LBPRGKRZSA-N 305.403 1.792 0 40 DDAB O=C(O)C1=NN(c2ccc(F)cc2)c2ncccc2S1(=O)=O 96511612 YWNWZEMIIOWIQY-UHFFFAOYSA-N 321.289 1.544 0 40 DDAB O=C(c1cccs1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246494 ARJXGSQBUDUHAU-MCIONIFRSA-N 322.430 1.452 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccco1 96062094 WJGUPCIKPVXSQH-LLVKDONJSA-N 312.333 1.333 0 40 DDAB CCS(=O)(=O)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 96189755 SNXQJHXOMQTHNI-ZDUSSCGKSA-N 310.419 1.055 0 40 DDAB C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1ccc2c(c1)CCC2 96474769 LDFWVVMBRCFOOO-LBPRGKRZSA-N 324.446 1.798 0 40 DDAB COCC(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 96187177 NEIXGCJPPYBCBL-YCPHGPKFSA-N 306.362 1.003 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccncc1 96062103 ANLLROVNCJFZHZ-LBPRGKRZSA-N 323.360 1.135 0 40 DDAB CN(C)c1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1 96418681 ORKRGYZWFBTXTD-UHFFFAOYSA-N 313.405 1.449 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(-c2cccnc2)c1 93103137 NNPOFJJMYCQPBV-SJORKVTESA-N 312.369 1.857 0 40 DDAB O=C(NCCS(=O)(=O)NCc1ccccc1)C1[C@H]2CCC[C@@H]12 96452076 ADGPMWDVKKKHMV-YIONKMFJSA-N 322.430 1.268 0 40 DDAB CC(C)C[C@H](CN)NS(=O)(=O)c1cccc2ncccc12 97229348 WLONVCNBOZGTTQ-GFCCVEGCSA-N 307.419 1.887 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCN(C4CCC4)CC3)nn2)n1 96413735 XZNPIWQILOUKRG-UHFFFAOYSA-N 312.421 1.954 0 40 DDAB CCN1CCO[C@@H](C(=O)N2Cc3ccccc3N(C)C[C@H]2C)C1 245343822 VVXNKDQERIAREE-RHSMWYFYSA-N 317.433 1.574 0 40 DDAB O=C(c1cnccn1)N1CCO[C@@H](Cc2cccc(F)c2)C1 257220959 DMYQDCJANVPWBV-AWEZNQCLSA-N 301.321 1.699 0 40 DDAB Cc1cncc([C@@H]2CCCN2C(=O)CCn2ccccc2=O)n1 257217170 CXVIGYFBLRREJQ-HNNXBMFYSA-N 312.373 1.701 0 40 DDAB CN(C(=O)CCc1cccnc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257205313 AYLWOHRCUVBQND-JFIYKMOQSA-N 317.433 1.460 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@H]21 257217106 CXMJUDHVCXFYKG-DZGCQCFKSA-N 304.394 1.283 0 40 DDAB CCN1CCC(N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 257200492 ADOFGBRKTVZYMS-IAGOWNOFSA-N 308.397 1.734 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccccc1C(F)(F)F 257249404 JIDRWFFHOXRACR-IJLUTSLNSA-N 303.280 1.710 0 40 DDAB COCC(=O)N1Cc2nccn2C[C@@H]1c1ccccc1OC 257257809 KREJGUJKFYSWCJ-CYBMUJFWSA-N 301.346 1.622 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2cn(C)nc2C)[C@H]1O 257255187 KGMRYEYKOPQWFC-IIAWOOMASA-N 309.410 1.048 0 40 DDAB O=C(c1ccccc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257324488 WOWGYXBJOKVSCD-OAHLLOKOSA-N 313.357 1.656 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1ccnc(N2CCOC2=O)c1 257304761 SNBDHFHZLLUXFM-NSHDSACASA-N 311.363 1.135 0 40 DDAB CCO[C@@H](CS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)O)C1CC1 629304562 MVYXGROCBYVZHF-RYUDHWBXSA-N 317.407 1.070 0 40 DDAB CC[C@@H](C(=O)N[C@H]1CCN(C(N)=O)C1)N(C)Cc1ccccc1 390835197 GKGZVVFENYTIJA-GJZGRUSLSA-N 318.421 1.166 0 40 DDAB CN(C)N(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 575420388 HEQOKUHOKWACLP-GFCCVEGCSA-N 313.448 1.349 0 40 DDAB O=S1(=O)CC[C@H](S(=O)(=O)Nc2ccccc2Cl)C1 575419561 QBRFYYDNZGBQPI-QMMMGPOBSA-N 309.796 1.269 0 40 DDAB CNC(=O)C1=NO[C@@]2(CCCN(Cc3cnn(C(C)C)c3)C2)C1 585101175 LKIXSIBINWDPOD-INIZCTEOSA-N 319.409 1.321 0 40 DDAB CC[C@H](C)N1CCOC[C@@]2(CC(=O)N(Cc3cncs3)C2)C1 585104935 WFQRMCUFAXYRSB-BBRMVZONSA-N 323.462 1.993 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 29625533 YNWIFKMCFINYEX-SNVBAGLBSA-N 311.432 1.814 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)N(C)C2CC2)cc1 69700950 QNPPZZOYJYWPJA-UHFFFAOYSA-N 305.334 1.216 0 40 DDAB CCc1ccc(C(=O)NCc2ccn(C)c2)cc1S(C)(=O)=O 95980173 LMGFDHHROMJEQU-UHFFFAOYSA-N 320.414 1.921 0 40 DDAB C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(Cl)nc1 96012567 HFUJZMRDHYJUPQ-QPFGOUBPSA-N 310.828 1.123 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@@H](O)c1cccc(Cl)c1 97159932 AKFVJEZVTLKJGN-MRXNPFEDSA-N 323.824 1.969 0 40 DDAB NS(=O)(=O)CCNc1cnc2cc(Cl)c(Cl)cc2n1 97238155 KIHCMGSLLMRBTD-UHFFFAOYSA-N 321.189 1.637 0 40 DDAB COc1ncc(Cl)c(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 95970974 PGBVWWOWQOLNGP-DTWKUNHWSA-N 319.814 1.906 0 40 DDAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(C=O)CC1 14400093 OLHZDQVBVKDNKY-HNNXBMFYSA-N 306.362 1.153 0 40 DDAB C1CCN(C2CCN([C@H]3COC4(CCNCC4)C3)CC2)CC1 19201489 ZREJDHYRNJQOCB-QGZVFWFLSA-N 307.482 1.848 0 40 DDAB COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC(C)=O)cc2)o1 226302137 ZFHFEQKNVGBQSW-UHFFFAOYSA-N 323.326 1.558 0 40 DDAB O=C(O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 3886981 YBNFARCMGBPBOI-HNNXBMFYSA-N 317.366 1.887 0 40 DDAB in-vitro CC(C)(C)OC(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 238135131 NJMJZMDADFYIBV-HNNXBMFYSA-N 316.398 1.883 0 40 DDAB CCN1CCC[C@H]1CNC(=O)COCc1cccc(OC)c1 36397725 YMACHGYQEOYGSU-HNNXBMFYSA-N 306.406 1.812 0 40 DDAB CC(C)N1C[C@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1=O 36397830 SWESXULUMGEAAI-KGLIPLIRSA-N 323.462 1.724 0 40 DDAB CNCc1cc(Br)c(OCC(N)=O)c(OC)c1 8377314 XBWSDYXUSTVKEU-UHFFFAOYSA-N 303.156 1.041 0 40 DDAB COc1nn(C)cc1C(=O)N1CCCN([C@H]2CCSC2)CC1 1888834219 COMCMOKXSQUWAS-LBPRGKRZSA-N 324.450 1.082 0 40 DDAB CCc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1 1888860257 HFEDJZBEIDFMBS-UHFFFAOYSA-N 305.359 1.695 0 40 DDAB Cc1cc(C)nc(N2CCN(c3ncnc4cc[nH]c34)CC2)n1 1889136050 ONYPJZWPXURNFL-UHFFFAOYSA-N 309.377 1.691 0 40 DDAB O=C([C@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21)N1CCCC1 1565548672 HSHZSHPSWGOEAG-MELADBBJSA-N 324.396 1.365 0 40 DDAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225556819 JTNNQRNHVIFNTA-LLVKDONJSA-N 319.390 1.641 0 40 DDAB CCOC(=O)/C=C(\N)N1CCN(c2cccc(Cl)n2)CC1 20246900 CPDHSVQNOBXRCV-ZRDIBKRKSA-N 310.785 1.220 0 40 DDAB CC(=O)Nc1ccc(CC(=O)Nc2nnc3ccccn23)cc1 30712443 KDQXYUQBELWLFY-UHFFFAOYSA-N 309.329 1.869 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(F)cc1 30849370 ZRGCYWOFPATGMV-CYBMUJFWSA-N 324.352 1.259 0 40 DDAB CCS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1O 31223577 YQZQCUHVUUQGOT-UHFFFAOYSA-N 322.386 1.215 0 40 DDAB CC(C)N1C(=O)C(=O)N(Cc2nc(-c3ccco3)no2)C1=O 40494132 JQXHUPNSBORSPX-UHFFFAOYSA-N 304.262 1.029 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553699 DMPOICGCPUZKRK-CYBMUJFWSA-N 315.377 1.409 0 40 DDAB Cc1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)n1C 40520664 DKWJXWHVLRAVPL-CQSZACIVSA-N 315.373 1.973 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 40534618 BETMPTPOVFMJJW-BBRMVZONSA-N 303.406 1.638 0 40 DDAB C[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(F)cc1 40549435 QLTKHNKHOHGLFQ-VIFPVBQESA-N 305.313 1.390 0 40 DDAB C[C@H](O)CNC(=O)NCc1ccc(N2CCCCCC2)nc1 40540037 YPHABNFNBYOHPQ-ZDUSSCGKSA-N 306.410 1.642 0 40 DDAB Cc1cc(C)n2nc(CC(=O)NCc3ccc(F)cc3)nc2n1 217061 JJQLTGOUKICWHN-UHFFFAOYSA-N 313.336 1.739 0 40 DDAB C[C@@H]1CC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 101456381 GHWGOSKNUVNQTP-MFKMUULPSA-N 311.765 1.613 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 8395102 PTVYXEJLMKJDDU-UHFFFAOYSA-N 313.313 1.698 0 40 DDAB C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 8343797 WNFYGGLUXWLEBD-SECBINFHSA-N 316.810 1.860 0 40 DDAB O=C(CSc1cccc[n+]1[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 2637679 UPDYEUUMAIDQCD-UHFFFAOYSA-N 316.342 1.220 0 40 DDAB CCCn1nc2c(cc1=O)CN(Cc1nnc(C3CC3)o1)CC2 76064663 ZLWFFESHJDPEKU-UHFFFAOYSA-N 315.377 1.472 0 40 DDAB CC[C@@H](OC1CCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 79038656 WHDHFECIZLWVJE-WCQYABFASA-N 303.424 1.370 0 40 DDAB CCC(=O)N1CC[C@@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 79110892 OKCHWEDJOXPYPA-ZBFHGGJFSA-N 316.401 1.818 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 2736847 QGPIRIBENPIUCZ-GJUFYCRISA-N 317.385 1.726 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)NCC2CCCCC2)CC1 32913459 WDCXDWCALIDLSL-UHFFFAOYSA-N 318.439 1.286 0 40 DDAB COc1c2c(cc3c1[C@@H](CC(=O)CC(C)=O)N(C)CC3)OCO2 490640 QJPOLHYFCZTYBZ-CYBMUJFWSA-N 319.357 1.891 0 40 DDAB biogenic O=C(NC1CC1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 6322607 ZLZVSZVRXVMQHZ-UHFFFAOYSA-N 315.354 1.842 0 40 DDAB NC(=O)CSc1ccccc1NC(=O)c1ccc(=O)[nH]c1 6654150 OVDRPEDDYQFZTN-UHFFFAOYSA-N 303.343 1.205 0 40 DDAB O=C1CSCN1CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84136693 HSZFKMBISKBHPT-JTQLQIEISA-N 322.390 1.143 0 40 DDAB CC(=O)NCC(=O)NCCNc1cccc(Br)c1 97048684 XYZRSTCKMRPJRL-UHFFFAOYSA-N 314.183 1.113 0 40 DDAB COCCCNC(=O)CN(C)Cc1nc2ccccc2nc1C 53141805 VRGNHMDVPQRZCA-UHFFFAOYSA-N 316.405 1.523 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 46952410 QHFFNWNAKHZLNP-QWHCGFSZSA-N 306.454 1.816 0 40 DDAB CC(C)[C@H]1NC(=O)N(CC(=O)N2CCc3sccc3C2)C1=O 22321697 YOFWBRBUKJCDCD-CYBMUJFWSA-N 321.402 1.209 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1=COCCO1 22402711 WCQJFAKAXYTXCS-ZDUSSCGKSA-N 306.362 1.811 0 40 DDAB CC(=O)N1CCC(C(=O)NCCc2cn3ccccc3n2)CC1 23319249 LGPHDHBBSRTEQS-UHFFFAOYSA-N 314.389 1.252 0 40 DDAB C[C@@H](CN(C)C(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)O 42695236 VNELSVLJQYJLNR-QMMMGPOBSA-N 308.359 1.524 0 40 DDAB O=C(C1CC1)N1CCN(Cn2c(=O)oc3ccccc32)CC1 23624971 LTHDXPCCBNYRFE-UHFFFAOYSA-N 301.346 1.106 0 40 DDAB CC[C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCO1 23888230 MUPUMUSEBGTYJF-MRVPVSSYSA-N 301.272 1.758 0 40 DDAB O=C(CC1CC1)NS(=O)(=O)N1CCc2sccc2C1 105768137 SYOBBLXDMXTLLR-UHFFFAOYSA-N 300.405 1.267 0 40 DDAB CCCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)[nH]n1 72268978 YZLRDKUDDAIAMG-HUUCEWRRSA-N 306.410 1.033 0 40 DDAB C[S@](=O)c1cccc(NC(=O)NC[C@H](O)c2ccco2)c1 72287652 CTCOBXHCUBWPLI-LAJNKCICSA-N 308.359 1.872 0 40 DDAB CC(=O)N[C@H](CC(=O)N1C[C@H](C)OC[C@@H]1C)c1cccs1 106558141 CPFIKWWBAJKRCZ-GMXVVIOVSA-N 310.419 1.951 0 40 DDAB COc1cccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c1 25024737 HCQUFWVEFWVPFO-HNNXBMFYSA-N 320.370 1.305 0 40 DDAB CC(C)c1ncc2c(n1)CN(C[C@H](O)Cn1cccn1)CC2 72268511 RGNRBPVZPUVQCB-AWEZNQCLSA-N 301.394 1.216 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1 25239695 KJOHSMFUCOBZRY-UHFFFAOYSA-N 319.386 1.692 0 40 DDAB Cc1ccc(OC[C@H](O)CN(C)CC(=O)NC(C)C)c(C)c1 25299874 BCAWPVZLIPENAK-OAHLLOKOSA-N 308.422 1.500 0 40 DDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC(C(N)=O)CC1 26467149 AOIPRJSTKPAVBK-ZDUSSCGKSA-N 307.438 1.579 0 40 DDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H]1CCc3nccn3C1)C2 72298525 MYFNZTSUQROHRM-GOEBONIOSA-N 311.385 1.935 0 40 DDAB C[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCOCC1 58201595 ONYNIXIRDSTMQW-LLVKDONJSA-N 318.398 1.878 0 40 DDAB Cc1nnc2n1CCN(CCC(=O)N[C@H](C)c1ccccc1)C2 72267498 QADCJTYPGIACMZ-CYBMUJFWSA-N 313.405 1.670 0 40 DDAB CN(Cc1ccco1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 12602317 PJWTUTRLYJGVMY-ZIAGYGMSSA-N 316.357 1.579 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H]1CN(C)CCO1 58312465 YOEFIGIDLRUVLB-RYUDHWBXSA-N 312.797 1.554 0 40 DDAB COc1ccc(-c2n[nH]c(SCCC(N)=O)n2)c(OC)c1 58433872 VRKKOYRQRPRUNU-UHFFFAOYSA-N 308.363 1.456 0 40 DDAB COC(=O)c1nc2n(n1)CCCN2C(=O)c1ccnc(Cl)c1 58438989 NLZMHNYZVRQFJT-UHFFFAOYSA-N 321.724 1.164 0 40 DDAB CC(=O)[C@@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 102763106 JMYRQFURESEJJS-DCXPXDSUSA-N 311.337 1.416 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)c(Cl)c1 62132497 QLMZPDUZCURCQR-VIFPVBQESA-N 303.767 1.744 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)NCC(F)(F)F 45126256 LQJZJHLPTXACHQ-UHFFFAOYSA-N 318.299 1.280 0 40 DDAB COc1ccc([C@H](C)NC(=O)N2CC[C@@H](C(N)=O)C2)cc1F 45102438 HMYABUACUXCXRA-GXSJLCMTSA-N 309.341 1.412 0 40 DDAB CCN(CC)CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 48237023 COODAPZVPNDNQT-UHFFFAOYSA-N 302.378 1.223 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 24164402 HTXHZADDJLZRGJ-STQMWFEESA-N 320.389 1.829 0 40 DDAB C[C@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@H](C)CO1 45447384 ILYXIGGOLRFOHM-NEPJUHHUSA-N 315.373 1.112 0 40 DDAB COc1ccc([C@]2(C)NC(=O)N(Cc3cc(C)on3)C2=O)cc1 12734023 XNFQNROMTRZCEY-INIZCTEOSA-N 315.329 1.959 0 40 DDAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 48314533 BFEOVSSTCUMKLC-CYBMUJFWSA-N 318.421 1.292 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(C(N)=O)CC1 12857883 RAGRZFXTMZIFCP-UHFFFAOYSA-N 320.437 1.422 0 40 DDAB COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)O)cc1 3445671 XSGWWCUMGZFMJR-UHFFFAOYSA-N 321.354 1.872 0 40 DDAB COC(=O)CNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 12951592 MBVAUFGKGZYBHP-UHFFFAOYSA-N 304.350 1.303 0 40 DDAB NS(=O)(=O)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 69563983 RLFJWGXWQACOEF-UHFFFAOYSA-N 315.370 1.358 0 40 DDAB Cn1cc([C@@H]2CCCN2CC(=O)NCc2cccs2)cn1 69660126 ABLMLGRBMORKLZ-AWEZNQCLSA-N 304.419 1.935 0 40 DDAB CCOCCN1CCN(Cc2nnc(C3CC3)o2)C[C@@H]1CC 69950694 NYIATSKGGYEDRO-AWEZNQCLSA-N 308.426 1.880 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)c1n[nH]c3c1CCC3)C2 69769783 DNPJCYSMMPHFIY-UHFFFAOYSA-N 300.366 1.269 0 40 DDAB COc1ccccc1NC(=O)NCCCC(=O)Nc1cn[nH]c1 69736936 WKGOAORRSWSOOC-UHFFFAOYSA-N 317.349 1.959 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)c2ccc[nH]2)CC1 69708921 WBRJLOJNLNBTTE-UHFFFAOYSA-N 301.394 1.579 0 40 DDAB Cc1cccc(C2(CNC(=O)[C@H](C)NC(N)=O)CCCC2)c1 69775677 JINYBGVCNVMFEA-ZDUSSCGKSA-N 303.406 1.980 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 8747903 MDDZUKZDMVMRER-CQSZACIVSA-N 324.402 1.131 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(C)(C)C)c1C 14018765 GQDTZMZVMOKBDY-SNVBAGLBSA-N 324.377 1.878 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14185386 BMFUUYRLBWFPNP-BETUJISGSA-N 320.389 1.451 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 14200223 UWPRIQLSIHDCSX-LBPRGKRZSA-N 305.334 1.354 0 40 DDAB COC(=O)c1ccc(OC)cc1OCC(=O)NCc1ccco1 5473307 LJLZJZCLPMGCRS-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)NC(=O)N2C(C)=O 4671345 NLHNIPWLSKBIDK-ZOWXZIJZSA-N 304.302 1.197 0 40 DDAB CCOCCCNC(=O)NC(=O)COc1ccc(C)c(C)c1 8748850 ZNVVXYRSYLWMDB-UHFFFAOYSA-N 308.378 1.935 0 40 DDAB CN(Cc1cc(Br)cs1)C[C@@](C)(O)C(=O)O 70714484 CDZAINHWCRJWEG-SNVBAGLBSA-N 308.197 1.778 0 40 DDAB CCC(=O)NCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 67156084 YBLGMTYWDDAHDA-UHFFFAOYSA-N 323.356 1.861 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1 8884257 QCGJPIPBFOLBGJ-NSHDSACASA-N 302.783 1.703 0 40 DDAB O=C(CSc1nnnn1-c1ccc(O)cc1)NC1CCCC1 8939097 AJVGPBHLUNOWKB-UHFFFAOYSA-N 319.390 1.519 0 40 DDAB Cc1noc(C)c1N(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 81602729 WBJUIIDUNYUYSU-UONOGXRCSA-N 307.394 1.898 0 40 DDAB C[C@@]1(C(N)=O)CCCCN1CC(=O)N1CCc2sccc2C1 96014173 FAITXKLKUYPADF-INIZCTEOSA-N 321.446 1.363 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCc2nnc(C)n2C1 97198221 OMELZHFRFTWELD-CYBMUJFWSA-N 316.409 1.001 0 40 DDAB Cn1cnc2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2c1=O 96230714 LZEHZCJPSYTLJD-UHFFFAOYSA-N 309.329 1.398 0 40 DDAB C/C(=C\C(=O)N1CCCN(C(N)=O)CC1)c1ccc(F)cc1 96297303 RGJFLGSGMHMPET-VAWYXSNFSA-N 305.353 1.842 0 40 DDAB CCOc1cc(N2CCN(c3ccccc3O)CC2)ncn1 97163522 OLBVNROZARRJIO-UHFFFAOYSA-N 300.362 1.908 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@@H]1c1cccnc1)C2 71860286 SGLCJJMZIIFFMH-CABCVRRESA-N 323.400 1.992 0 40 DDAB COc1ccc2nc(C(=O)N3CCc4c(nnn4C)C3)ccc2c1 72306439 ROVCIFBNBWBURM-UHFFFAOYSA-N 323.356 1.570 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@@H](C)C(=O)OC(C)C)cs1 72301390 PUFMFWSTDOMSJN-MRVPVSSYSA-N 313.379 1.419 0 40 DDAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)C3CC3)cc2)CC1 71921654 CEXOZSDTDWTTRL-UHFFFAOYSA-N 324.402 1.226 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)Oc1ccc(-n2cccn2)cc1 71915778 FTUXCYKMPODIET-UHFFFAOYSA-N 304.331 1.672 0 40 DDAB COCCn1cc(NC(=O)NCCN2CCC(C)CC2)cn1 71932916 FTLICKQVNPZGMD-UHFFFAOYSA-N 309.414 1.383 0 40 DDAB Cc1[nH]ncc1C(=O)Nc1cc(Br)c(=O)n(C)c1 84044657 VVIHUOBFBMMBJP-UHFFFAOYSA-N 311.139 1.432 0 40 DDAB Cc1ccn2cc(CNC(=O)CCOC3CCOCC3)nc2c1 84585119 LQVYWPVMRUCUNC-UHFFFAOYSA-N 317.389 1.845 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)c1C 95396120 XUCWPQFIFMBBKH-GXFFZTMASA-N 307.394 1.598 0 40 DDAB OCCOc1ccc(NCc2cnn(-c3ccccc3)n2)cn1 95436156 KYMFYDRWXQURFC-UHFFFAOYSA-N 311.345 1.646 0 40 DDAB CCOC(=O)N1CCC(N2CCN(C(=O)C(C)C)CC2)CC1 95457025 IGKCFKSPXBNNTM-UHFFFAOYSA-N 311.426 1.408 0 40 DDAB CNC(=O)NCC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 89567430 NMWOEGAOSZFDSK-CYBMUJFWSA-N 318.421 1.786 0 40 DDAB O=C1NCCN(C(=O)c2c[nH]c3ncccc23)[C@H]1c1ccccc1 89827812 SIUMHTSRVYKXKC-HNNXBMFYSA-N 320.352 1.876 0 40 DDAB O=C1CNC(=O)N1CCN1C[C@@H]2CCCC[C@@]21c1ccccc1 89827786 QZKJDCFNRIBIOR-MAUKXSAKSA-N 313.401 1.940 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccncc1 28576019 OXVKBPWYXUYTDY-GFCCVEGCSA-N 324.344 1.141 0 40 DDAB Cc1ccc(-c2nnc(CN(C)C(=O)N3CCOCC3)o2)cc1 408714172 KHADTRGPZJOVAF-UHFFFAOYSA-N 316.361 1.929 0 40 DDAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1C 30822915 OAJIGSUQPBLVOA-UHFFFAOYSA-N 312.354 1.936 0 40 DDAB CN(C)C(=O)NC[C@H]1CC2(CCN(C(=O)C(C)(C)C)CC2)O1 306141756 WFNMHOOZLBPSRB-GFCCVEGCSA-N 311.426 1.454 0 40 DDAB CCOC(=O)[C@@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218383893 LEYJJZMAQJTMIF-GVXVVHGQSA-N 317.794 1.111 0 40 DDAB COc1ccccc1NC(=O)C[C@@H]1SC2=NCCN2C1=O 36635302 FDTNVHSDDARISO-NSHDSACASA-N 305.359 1.337 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)n(C)n1 78061539 PTUUPWXRYKDLIG-YGRLFVJLSA-N 318.402 1.948 0 40 DDAB COCC1CCN(c2cc([C@H]3CN(C)CCO3)nc(C)n2)CC1 72387904 DOSBFILGJORGAQ-MRXNPFEDSA-N 320.437 1.651 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2)ncc1C(N)=O 72345401 QUOIYKHLKCIMAN-HNNXBMFYSA-N 324.384 1.790 0 40 DDAB Cc1cccc(C[C@@H]2COCCN(Cc3cnn(C)c3)C2)n1 72388168 OMFHHWORKRMBFZ-HNNXBMFYSA-N 300.406 1.815 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1 37414579 UJVHLUFDHZXNJW-DGCLKSJQSA-N 313.375 1.019 0 40 DDAB CC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32074158 ARRHFWBJVYTCOR-HNNXBMFYSA-N 301.346 1.458 0 40 DDAB COC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238279 VZHLDMMLWDLLCG-BBRMVZONSA-N 318.373 1.194 0 40 DDAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCS1(=O)=O 48741111 CPUXBESDUSOFOK-UHFFFAOYSA-N 306.343 1.826 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)Cn3cccc3)C2)nn1 225463380 MUTFDNUEILLDQY-CQSZACIVSA-N 300.362 1.657 0 40 DDAB CO[C@H](C)CS(=O)(=O)NCCc1c(C)[nH]c2ccccc12 195209744 ZOLCYCDMJCOAOT-LLVKDONJSA-N 310.419 1.973 0 40 DDAB CN1CCC[C@](O)(CN2CCN(c3ccccc3F)CC2)C1 46087399 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DDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@](C)(O)C1 96485595 SHXXNZSGOFSURF-QGZVFWFLSA-N 304.390 1.061 0 40 DDAB COc1ncccc1CN1CCC2(CC1)OCC(=O)N(C)[C@H]2C 96201511 NSGGZKGZSXJCMM-ZDUSSCGKSA-N 319.405 1.302 0 40 DDAB CN(C)CCN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 97096190 NZZQQBOSHMSQFI-UHFFFAOYSA-N 302.382 1.507 0 40 DDAB CN(C)C(=O)C1=CC2(CCN(CC(=O)O)CC2)c2ccccc21 96241600 RRAJGGVLOCOERP-UHFFFAOYSA-N 314.385 1.590 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)CC1CC1)CC2 96217826 PCVMPATYTQVFSP-QGZVFWFLSA-N 308.422 1.807 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)NCc2ccco2)CC1 98211887 OWXPJJYCNWJTLA-UHFFFAOYSA-N 318.377 1.912 0 40 DDAB Cc1ccc(O[C@H](C)CNC(=O)NCc2cnn(C)c2)cc1 96439397 FOBVYAFUXKFHCH-CYBMUJFWSA-N 302.378 1.995 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)c(Cl)cc1F 96472694 OFHXPLGWUSTASW-JTQLQIEISA-N 320.773 1.297 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3coc(C)n3)CCO2)n1 257253179 JXVSRAUWYNEQJN-GFCCVEGCSA-N 304.306 1.001 0 40 DDAB COCC(=O)N1CCCC[C@H]1c1nc(C)cc(-c2cc[nH]n2)n1 257226398 FKMWBKYAKPZAOW-AWEZNQCLSA-N 315.377 1.875 0 40 DDAB CC1CCN(CCC(=O)N2CCOC[C@@H]2c2ccn[nH]2)CC1 257309265 UAGZANHHIRXLQI-OAHLLOKOSA-N 306.410 1.432 0 40 DDAB CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)N2CCCC2)C1 257293850 QRLKIGNNPIWRAJ-ZDUSSCGKSA-N 302.378 1.124 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccnnc1 257332060 XVNVQENISAJQFE-CQSZACIVSA-N 313.361 1.049 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2cc3ccccc3s2)CCO1 257274059 NJJBGIJDUSMOCJ-OAHLLOKOSA-N 304.371 1.618 0 40 DDAB c1ccc(OC[C@@H]2CCOC23CN(CC2CCOCC2)C3)nc1 253477892 IAWAWKVPHZCOGN-INIZCTEOSA-N 318.417 1.978 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1 257314934 UZFFGDFUPJFLQW-AWEZNQCLSA-N 313.361 1.151 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)Cc2c[nH]cn2)cc1 257312519 UOIPSCZBQRNIRR-HNNXBMFYSA-N 300.362 1.134 0 40 DDAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(CCN1CCOCC1)C1CCCC1 253370527 RYTWIQFMBDGHDE-IXDOHACOSA-N 322.449 1.657 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)CCN(C)C)[C@@H](c2ccco2)C1 390834410 YEVGZRRPICZOLQ-CHWSQXEVSA-N 300.424 1.944 0 40 DDAB CCOCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575406367 NRZIGBHOTVSOJJ-HNNXBMFYSA-N 315.373 1.709 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2ccccc2F)[C@@H]1O 585287271 WJAPWHNZULAOQF-MSYVOXANSA-N 309.337 1.072 0 40 DDAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 585178822 AVUWGRZSCBDLFZ-LBPRGKRZSA-N 321.406 1.580 0 40 DDAB NC(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 55148584 GESWPUHIVMYZEO-UHFFFAOYSA-N 317.393 1.411 0 40 DDAB Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](C(N)=O)C3)s2)o1 53894658 YTYIOSGSYPUCAV-JTQLQIEISA-N 319.386 1.967 0 40 DDAB CCC(=O)N1CC[C@@H](NCc2nnn(C(C)(C)C)n2)[C@H](C)C1 1035864025 DYBMDLZXVVUETQ-VXGBXAGGSA-N 308.430 1.165 0 40 DDAB COCC[C@@](C)(O)CNC(=O)c1ccccc1Br 174867302 BMTQZPZSZHFVMO-CYBMUJFWSA-N 316.195 1.966 0 40 DDAB COC[C@@H]1O[C@@H](Nc2ccccc2)[C@@H](OC)[C@@H](OC)[C@H]1OC 5011039 WIBKTLZRZYGDIV-UVPYHEFZSA-N 311.378 1.515 0 40 DDAB CCOC(OCC)c1cnc2nc(NC(C)=O)nc(O)c2n1 16929492 VWHBRYVHKXLYBV-UHFFFAOYSA-N 307.310 1.155 0 40 DDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 100187660 BVTWCDONSLSBSI-UMVBOHGHSA-N 322.430 1.757 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(Cc3cnn(C)c3)CCO2)cc1 643913740 FHTTURNFUMJZHE-GOSISDBHSA-N 315.417 1.535 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 643912061 HNIFTFZVIVOQQG-OAHLLOKOSA-N 306.410 1.070 0 40 DDAB c1cc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)ccn1 1849477671 NPECJTSRNKYLKC-CQSZACIVSA-N 313.405 1.910 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nccs2)cc1C(=O)O 37310189 CMZKCZYEQGHTTH-UHFFFAOYSA-N 314.344 1.651 0 40 DDAB O=C(O)[C@H]1CCCN1C(=O)COc1ccc(F)cc1Cl 37410437 IQLRCINIUSXVDM-SNVBAGLBSA-N 301.701 1.934 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100026843 WRNZHKUBWSDTRF-GTDBDLECSA-N 322.364 1.693 0 40 DDAB CN1C(=O)c2ccccc2[C@@H](C(=O)NCCO)[C@H]1c1ccccc1 1565523632 VJEOSMCIIDQBFW-IAGOWNOFSA-N 324.380 1.706 0 40 DDAB CCOC(=O)N1CCN(C2=CC(=O)OC23CCCCC3)CC1 69540 PEDUOYDXFNYXOC-UHFFFAOYSA-N 308.378 1.904 0 40 DDAB O=C(O)c1cccc(NC(=O)c2ccnc(-n3cnnc3)c2)c1 4786620 NIRZNOKJTAUQFJ-UHFFFAOYSA-N 309.285 1.613 0 40 DDAB Cc1cc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)nn1C 12443160 JGVGGMTUHDISML-UHFFFAOYSA-N 301.310 1.073 0 40 DDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1cc2ccccc2[nH]1 585150633 ZRKLXGNPZWOQKW-UHFFFAOYSA-N 322.368 1.643 0 40 DDAB NC(=O)[C@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1 30007769 GEOKPEGSAZFUFR-QGZVFWFLSA-N 312.369 1.817 0 40 DDAB C[C@H]1CCCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1 40007876 YVOPIZWGSXHSGS-UONOGXRCSA-N 304.390 1.675 0 40 DDAB O=C1COc2cc(C(=O)NCCCn3cccn3)ccc2N1 30167212 YVGWCUFUABKDBJ-UHFFFAOYSA-N 300.318 1.034 0 40 DDAB NC(=O)c1cc(-c2csc(CN3CCOC3=O)n2)ccc1O 30448105 HYJPLJJPYCJCFR-UHFFFAOYSA-N 319.342 1.567 0 40 DDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2)C(=O)N1 79631 QUOVFDCGGVVBMP-RYUDHWBXSA-N 322.386 1.179 0 40 DDAB CC(=O)NCCCNC(=O)c1sc(-c2ccccn2)nc1C 31242950 UIWPMUWVJZCNCW-UHFFFAOYSA-N 318.402 1.770 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCO2)C1=O 40474258 NGVREXIQQYPUFP-OLZOCXBDSA-N 318.373 1.486 0 40 DDAB CNC(=O)CN(CC(=O)NC)C[C@@H](c1ccccc1)C(C)C 31474853 FHKHXLWXAAGHTO-OAHLLOKOSA-N 305.422 1.220 0 40 DDAB NC1=NC(=O)C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)S1 169802 MVEOTIAQJIYAKK-QMMMGPOBSA-N 317.292 1.991 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)NC1CC(C)(C)NC(C)(C)C1 20616461 VWMVKGDBWKYPHZ-UHFFFAOYSA-N 308.382 1.157 0 40 DDAB O=C(NC1CCCC1)c1nn(-c2ccccc2F)nc1CO 21149077 BZFRIXDDVNOEOV-UHFFFAOYSA-N 304.325 1.571 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCNS(=O)(=O)N2CCCCCC2)C1 46035348 PCYMSFDGNRXSEY-GASCZTMLSA-N 317.499 1.675 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 213872 QSQNZABPAGTEFF-QPNXVFALSA-N 315.325 1.919 0 40 DDAB CCO[C@H]1CCCN(S(=O)(=O)c2sc(C)nc2C)C1 72313166 WUCJPVJGLHYKPP-NSHDSACASA-N 304.437 1.950 0 40 DDAB Cc1nnnn1-c1cccc(NCC(=O)N2CCC[C@@H](C)C2)c1 29687355 PCBPOIREBAFPTQ-GFCCVEGCSA-N 314.393 1.641 0 40 DDAB O=C(c1cccc(F)c1)N1CCCN(c2ncccn2)CC1 32779261 RKEJJLCKHRLZIX-UHFFFAOYSA-N 300.337 1.968 0 40 DDAB Cc1cc([C@@H]2CCCN(CCCS(=O)(=O)N(C)C)C2)n[nH]1 76059711 QKSGLNFMEJVBQV-CYBMUJFWSA-N 314.455 1.179 0 40 DDAB O=c1[nH]c(N[C@H]2CCC[C@H]2O)nc2c1cnn2-c1ccccc1 76063189 IZLDPRBREDYQAB-QWHCGFSZSA-N 311.345 1.434 0 40 DDAB COC(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCCNC2=O)c1 78729400 XJWGMDLGEADVMT-SNVBAGLBSA-N 309.297 1.012 0 40 DDAB CCc1cnc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)s1 79010497 HVSUQXVWUWQAND-SNVBAGLBSA-N 322.434 1.311 0 40 DDAB Cc1cc(C)nc(N2CCC(C(=O)NCCCN(C)C)CC2)n1 79476296 AFTTXLWWLKYWJL-UHFFFAOYSA-N 319.453 1.378 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccccn1 21773701 VFWUTTHEPGDEHJ-HNNXBMFYSA-N 315.373 1.788 0 40 DDAB O=C(O)C1=C(C(=O)Nc2cccc3cccnc23)[C@H]2C=C[C@@H]1O2 4994864 LDPXIQVKHSNTEZ-NEPJUHHUSA-N 308.293 1.892 0 40 DDAB Cc1ccc(F)cc1C(=O)OCc1nc(N)nc(N(C)C)n1 29950237 BWNOPQWVHVWZAL-UHFFFAOYSA-N 305.313 1.324 0 40 DDAB C[C@@H](CNC(=O)c1cc(-c2ccccc2)[nH]n1)N1CCOCC1 29959900 IXWZLKLSGMYFTN-ZDUSSCGKSA-N 314.389 1.527 0 40 DDAB O=C(CN1C(=O)COc2ccccc21)NCCCOCC1CC1 46631822 DJYJUELIDLGQSX-UHFFFAOYSA-N 318.373 1.345 0 40 DDAB O=c1cc(CSc2nnc(C3CC3)n2C2CC2)nc(CO)[nH]1 57355763 GUYQQWGLFJVRKE-UHFFFAOYSA-N 319.390 1.358 0 40 DDAB Cn1cc(N2CC[C@H]3CN(Cc4cccnc4)C[C@H]3C2=O)cn1 107254583 MVCKRQMVDQOPSS-GOEBONIOSA-N 311.389 1.300 0 40 DDAB Cc1nn(C)c2c(NCCN3CCOCC3)nc(C3CC3)nc12 57356005 INYHSVIKNHMJSX-UHFFFAOYSA-N 316.409 1.293 0 40 DDAB CCCN1CC[C@H](CNC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)C1 97047270 KTJKWVFWUIYRTP-PMPSAXMXSA-N 311.470 1.911 0 40 DDAB Cc1cccc(-c2noc(CN(CC(N)=O)CC(C)C)n2)c1 42122986 NHBPQCDDWXRENK-UHFFFAOYSA-N 302.378 1.988 0 40 DDAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C1CC1 23040437 AMGHUGHILNBJED-SECBINFHSA-N 316.448 1.368 0 40 DDAB COCCNC(=O)C(=O)Nc1ccc(Br)cc1 3060096 NVWASROFUIMJAE-UHFFFAOYSA-N 301.140 1.150 0 40 DDAB C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(S(C)(=O)=O)cc1 23417578 XNWLWDVSBKRLAB-SECBINFHSA-N 321.358 1.077 0 40 DDAB CCN1CCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 23467852 DJBXRZFLNJNREW-UHFFFAOYSA-N 306.797 1.714 0 40 DDAB Cn1ccc(NC(=O)CNC(=O)c2cccc(OC(F)F)c2)n1 24475573 OYDJCDGPHXHPNP-UHFFFAOYSA-N 324.287 1.390 0 40 DDAB Cc1cc(COC(=O)Cn2cnc3sccc3c2=O)on1 24420870 HJBLNSIOECSOME-UHFFFAOYSA-N 305.315 1.498 0 40 DDAB Cc1n[nH]c([C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1 107056872 WSKNAMZVHQQFMM-KCJUWKMLSA-N 304.354 1.508 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCO1 25768889 OQOUYVGUZPTYQY-LBPRGKRZSA-N 324.402 1.223 0 40 DDAB COc1ccc(CC(=O)Oc2ccc(C(N)=O)cc2)cc1OC 25970494 CZPABACRVFSSPT-UHFFFAOYSA-N 315.325 1.951 0 40 DDAB CC[C@@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1 72293037 XWLOIOYMYBNWFW-GFCCVEGCSA-N 318.421 1.559 0 40 DDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NC(C1CC1)C1CC1 72270677 YXIBFNQJKRDOKW-AWEZNQCLSA-N 302.422 1.894 0 40 DDAB C[C@H]1CCCCN1C(=O)Cn1nnc(COc2ccccc2)n1 44872305 XRRRMKGAIYTXQN-ZDUSSCGKSA-N 315.377 1.653 0 40 DDAB C[C@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)C[C@@H](C)O1 10237675 QDEQMAAVDGNHNI-BETUJISGSA-N 323.418 1.475 0 40 DDAB C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccnc1 10262234 CMVBVYJMULDARR-JTQLQIEISA-N 320.374 1.612 0 40 DDAB CN(C)C[C@H](Cc1ccccc1)NC[C@H]1CNc2ccnn2C1 58296102 PBHCWQIBZUJFIH-IRXDYDNUSA-N 313.449 1.687 0 40 DDAB Cc1cc(F)ccc1NC(=O)CN1C(=O)c2cccnc2C1=O 58296806 LXWSVSMJEIZDOL-UHFFFAOYSA-N 313.288 1.764 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H]1CCCCNC1=O 44968064 XJSGNAPFIVHVIV-GWCFXTLKSA-N 323.368 1.863 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1ccc(-n2cncn2)nc1 44909215 CSQONFVINUCCSW-UHFFFAOYSA-N 322.328 1.031 0 40 DDAB COCCCNC(=O)[C@@H](C)S(=O)(=O)c1cc(F)ccc1F 44947443 FFWICOADBDKJMI-SECBINFHSA-N 321.345 1.280 0 40 DDAB O=C(C1CC1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897541 FVJSPCHOQZRWGT-CABCVRRESA-N 318.348 1.174 0 40 DDAB biogenic,in-vitro CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2C)o1 44918623 SUPMFGOOWHPJJN-UHFFFAOYSA-N 322.386 1.735 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 44913188 YIWXPVPYFWPQFS-CHWSQXEVSA-N 316.357 1.969 0 40 DDAB CN1CCN(S(=O)(=O)N2CCCCC2)[C@H](c2ccccc2)C1 36393732 TYBYQKOONISGPE-INIZCTEOSA-N 323.462 1.706 0 40 DDAB COC(=O)c1ccc(F)c(NC(=O)CN2CSCC2=O)c1 12746203 KOFRYAJWZMKJTK-UHFFFAOYSA-N 312.322 1.084 0 40 DDAB CNC(=O)CN1CCC(NC(=O)NCc2ccc(C)s2)CC1 45676975 VSRULNQWDWHISZ-UHFFFAOYSA-N 324.450 1.066 0 40 DDAB CN(CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCc2ccccc21 45736823 FWCAYZUIVSBRHV-AWEZNQCLSA-N 301.390 1.936 0 40 DDAB CC1(C)NC(=O)N(CCCN(Cc2ccco2)C2CC2)C1=O 48374898 HSXAPFHIVKMSDR-UHFFFAOYSA-N 305.378 1.965 0 40 DDAB COC(=O)c1ccc(Oc2ccc3nnnn3n2)c(OC)c1 12881830 QDFMZTDKVPZIDU-UHFFFAOYSA-N 301.262 1.107 0 40 DDAB O=C(NCc1ccccc1F)c1ccc(N2CCOCC2)nc1 12992897 BQZIMTKTUXUIER-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cc(Br)c[nH]1)C2 69493479 XMCVMQIMGJDCOQ-UHFFFAOYSA-N 310.155 1.333 0 40 DDAB CC(C)(C)OC(=O)N[C@H](CSCCCC(=O)O)C(=O)O 4060760 JNLXXEXGPIWUOH-MRVPVSSYSA-N 307.368 1.562 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn21 306136988 QIGPBGSZTUBOKB-IHVVCDCBSA-N 316.386 1.287 0 40 DDAB CC(C)CNC(=O)CSc1nnc(CN2CCCCC2)o1 8427801 JDNPIEWUASHEOM-UHFFFAOYSA-N 312.439 1.920 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 4399736 WLLGRFPWKWGWMF-UHFFFAOYSA-N 301.364 1.163 0 40 DDAB O=C(Nc1nnc(Cc2ccccc2)s1)N1CCOCC1 6228785 WXEKNRAIJKSFFV-UHFFFAOYSA-N 304.375 1.993 0 40 DDAB C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](C2OCCO2)C1 69516963 DKNCPFUPDIJIHJ-KGLIPLIRSA-N 310.438 1.909 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)NC2CCOCC2)n1 69919392 WGZISQFYTOPPAW-INIZCTEOSA-N 320.437 1.260 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1ccc(-n3ccnc3)cc1)CC2 65552908 WEYDRPRJKBDQIG-HNNXBMFYSA-N 308.389 1.877 0 40 DDAB CCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 14140858 UWXRPUGMRHPHDF-UHFFFAOYSA-N 305.403 1.863 0 40 DDAB O=C(OCc1ccccc1)N1CCC(N2CCNC2=O)CC1 66323405 FLMRUBYTEPLEJH-UHFFFAOYSA-N 303.362 1.813 0 40 DDAB COc1cccc(-c2nsc(NC(=O)c3cn[nH]n3)n2)c1 69772497 KVSXQTRXQBMQHW-UHFFFAOYSA-N 302.319 1.584 0 40 DDAB C[C@H](OCC1CC1)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69771553 GEURKOXCQCZOPH-DZGCQCFKSA-N 312.454 1.353 0 40 DDAB COCCN1CC[C@@H](NC(=O)Nc2cccc(C(C)=O)c2)C1 69737640 WJXPRSNVRRUPPO-OAHLLOKOSA-N 305.378 1.731 0 40 DDAB CCOC(=O)c1cccc(OCC(=O)NC(=O)NCC(C)C)c1 7193695 UEHDJBLVOGNUTI-UHFFFAOYSA-N 322.361 1.724 0 40 DDAB CC(C)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 16281746 INHDMZUIOBHASN-UHFFFAOYSA-N 310.375 1.314 0 40 DDAB CCOc1ccccc1N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 8290973 IHHDCVLUJJIKNF-CYBMUJFWSA-N 317.389 1.013 0 40 DDAB CN(CC(F)F)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96007664 MZUCSTNOMQTTPB-UHFFFAOYSA-N 304.240 1.986 0 40 DDAB CNC(=O)CNC(=O)Nc1cc(CCc2ccccc2)ccn1 96010696 VXLINDZIBLKZLF-UHFFFAOYSA-N 312.373 1.734 0 40 DDAB O=C1CC[C@H](C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)N1 84528705 HWVDMTOZKCUDKE-HUUCEWRRSA-N 302.374 1.125 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cccn1)NCc1ccccn1 71875317 YSBRIKPJAIRLAF-INIZCTEOSA-N 313.405 1.449 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)[nH]n1 71817169 QOSUCSVTFYCBIV-UHFFFAOYSA-N 318.421 1.973 0 40 DDAB CCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(OC)cc1OC 71855238 QOHOEKAOCNAVBB-NSHDSACASA-N 309.362 1.975 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 71856702 AXJOIZCFEVOIAT-ZIAGYGMSSA-N 322.409 1.296 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)c[nH]1 71853737 TZEKVNLJAIMRST-UHFFFAOYSA-N 324.333 1.994 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1cnc2[nH]nc(C)c2c1)C(=O)OC 84721484 PHORKGMGGRZONU-UFBFGSQYSA-N 304.350 1.584 0 40 DDAB CCc1noc([C@@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 83830464 NVPCWEWBWFYWCX-MEBBXXQBSA-N 321.381 1.098 0 40 DDAB COC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 95430164 QJUFMFFQCDOSBU-KBPBESRZSA-N 318.417 1.701 0 40 DDAB CC(C)c1noc(CCCNC(=O)N2C[C@H](C)O[C@H](C)C2)n1 72057912 WNNQZCCNJREPIY-TXEJJXNPSA-N 310.398 1.944 0 40 DDAB CN(CCn1cnnc1)c1nc2ccccc2nc1N1CCCC1 95449434 PGNSLRMFRPZLML-UHFFFAOYSA-N 323.404 1.958 0 40 DDAB CN(c1nc(CN2C(=O)[C@@H]3CCCN3C2=O)cs1)C1CC1 95417714 GWJHTGPSPTXDOY-NSHDSACASA-N 306.391 1.668 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 73803207 WYSDUCDBYVUUOA-UHFFFAOYSA-N 305.378 1.843 0 40 DDAB in-vitro CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 95996362 AZFIRPRPVFGTHK-PSASIEDQSA-N 306.332 1.771 0 40 DDAB Cc1ccn(-c2ccc(N3CCC[C@@H]3C(=O)N(C)C)nn2)n1 89700678 KSRCTYSJIUPHOD-GFCCVEGCSA-N 300.366 1.028 0 40 DDAB CS(=O)(=O)NCCN1CCc2c(Cl)cc(Cl)cc2C1 128753131 DUVZREAYHQCGEJ-UHFFFAOYSA-N 323.245 1.901 0 40 DDAB CC(C)c1n[nH]c(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1 519814632 ZGGIBOHHEATZMM-GFCCVEGCSA-N 313.361 1.591 0 40 DDAB CCCC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1 72390830 LBONEPOFOITISK-HNNXBMFYSA-N 316.405 1.845 0 40 DDAB CS[C@H](C)C(=O)N(CCCO)S(=O)(=O)c1cccs1 78411430 LRTASSULNKIFGE-SECBINFHSA-N 323.461 1.399 0 40 DDAB O=C1COCC(=O)N1CCC(=O)N1CCc2cc(Cl)ccc21 36752482 JNAGGPLLKQFETB-UHFFFAOYSA-N 322.748 1.005 0 40 DDAB NC(=O)C1(NCCOc2cc(F)cc(Br)c2)CC1 189363298 MJYLNMXUULPAFS-UHFFFAOYSA-N 317.158 1.575 0 40 DDAB O=C(Cn1ccc2ccccc21)N1CC(Nc2cccnn2)C1 675008081 WTQCTHYQALVIAJ-UHFFFAOYSA-N 307.357 1.754 0 40 DDAB COCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 37328674 SEGXMKXPICWLGW-UHFFFAOYSA-N 307.755 1.353 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)c1coc2ccccc12 79094974 FYVMETHMDZJFTB-UHFFFAOYSA-N 324.402 1.834 0 40 DDAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218039794 DKOHDDYWXPLZEM-DZKIICNBSA-N 317.366 1.408 0 40 DDAB COc1ccnc(N2CCCN(C(=O)c3cocc3C)CC2)n1 1057208088 QYVYUQPXESDOHK-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB C[C@H](NC(=O)Cn1ccccc1=O)c1cccc(-n2cccn2)c1 73205528 HMJPTOGZSMQWKI-AWEZNQCLSA-N 322.368 1.911 0 40 DDAB C[C@H](N)C(=O)N(C)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393079 ONDRFOQSYVWXHB-DZGCQCFKSA-N 319.405 1.451 0 40 DDAB C[C@@H](C(=O)O)N(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 521365981 GBAAOWGIKNQBNN-JTQLQIEISA-N 310.325 1.207 0 40 DDAB NC(=O)c1cc(NC(=O)c2nccnc2C(=O)O)ccc1Cl 71288568 QJQDVSSIFWPENE-UHFFFAOYSA-N 320.692 1.179 0 40 DDAB CN1CCN(C(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)CC1 40774686 PZQFRTNFUUUYCU-MRXNPFEDSA-N 319.430 1.288 0 40 DDAB CC(C)[C@@H]1OC(NS(=O)(=O)c2ccc(Cl)cc2)=NC1=O 227173853 DDLYBCSWHZRZHA-JTQLQIEISA-N 316.766 1.556 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)Cn3cccc3)C2)nn1 225463349 MUTFDNUEILLDQY-AWEZNQCLSA-N 300.362 1.657 0 40 DDAB Cc1nnc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 330173866 HTNUHSDSFSQCJM-GXFFZTMASA-N 323.299 1.533 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)cn1 96480793 YRRMDJQQKYXWCO-STQMWFEESA-N 309.435 1.985 0 40 DDAB CC(=O)NC(C)(C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 96412635 UQAWWMUSQUSMCF-UHFFFAOYSA-N 312.454 1.985 0 40 DDAB CCOc1ncccc1C(=O)N[C@@H]1CCc2nnc(CC)n2C1 97198571 GOJYDGBBZBGNGB-LLVKDONJSA-N 315.377 1.379 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2cn(C)nc21 96197973 KVSPMKKHBWXNPD-LBPRGKRZSA-N 305.403 1.797 0 40 DDAB CN(Cc1cnccn1)C(=O)Nc1cnn(-c2ccccn2)c1 96435186 WYZZMRLYYIUSEO-UHFFFAOYSA-N 309.333 1.721 0 40 DDAB CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ccccn2)O1 96064611 AVVIBTLKUKXKLH-KKUMJFAQSA-N 319.405 1.313 0 40 DDAB COCc1cc(=O)n(Cc2cn3cc(Cl)ccc3n2)cn1 95428165 YFCHRGHXQRMWJZ-UHFFFAOYSA-N 304.737 1.739 0 40 DDAB O=C(Nc1cnn([C@@H]2CCOC2)c1)[C@@H]1COc2ccccc2O1 96123113 BQJOJGQPCRQYHK-DOMZBBRYSA-N 315.329 1.623 0 40 DDAB CC(C)c1cc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n[nH]1 96443752 GQMPADASHFXXLI-LLVKDONJSA-N 321.450 1.782 0 40 DDAB Cc1nc(CN2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cs1 96245985 JNXUXXHGNKASSU-KBPBESRZSA-N 317.418 1.565 0 40 DDAB COc1c(C(=O)NC[C@H]2CCCO2)nnn1Cc1ccccc1 96183479 GLVWSDQPOCNJHP-CYBMUJFWSA-N 316.361 1.244 0 40 DDAB Cc1nc(CN2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cs1 96063648 VKAMIBFCERKKMB-BETUJISGSA-N 301.419 1.810 0 40 DDAB Cc1nnc(N2CC3(C2)OCC[C@@H]3COc2ccccn2)s1 247994562 CKLSVZFYXOPTKY-GFCCVEGCSA-N 318.402 1.916 0 40 DDAB Cc1cc(C)c(NC(=O)CN(C)Cc2cn(C)nn2)c(C)c1 341618711 OEJVZCYPDOSAKU-UHFFFAOYSA-N 301.394 1.811 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 43700319 JDSNXZIRLWJUCF-SNVBAGLBSA-N 303.236 1.631 0 40 DDAB Cc1ncc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c(=N)[nH]1 538478568 XCSLJYKXUOADTA-CQSZACIVSA-N 312.373 1.281 0 40 DDAB c1ccc(OC[C@H]2C[C@H]3OCCN(C[C@H]4CCOC4)[C@@H]3C2)nc1 253596841 WJPYGEFZEDYKRP-QBPKDAKJSA-N 318.417 1.976 0 40 DDAB NC(=O)C1CN(C(=O)c2cncc(Cc3cccc(F)c3)c2)C1 257223251 DWNZJWPJGJOJSP-UHFFFAOYSA-N 313.332 1.369 0 40 DDAB CCc1nccn1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](OC)C1 257274882 NNAQLECEGBYFIH-BBRMVZONSA-N 307.394 1.242 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(Cc3ccccn3)CCN2C)c1 257301838 SADXEMBOGSVBIF-SFHVURJKSA-N 324.428 1.930 0 40 DDAB O[C@@]1(Cn2cccn2)CNCCN(Cc2ccc(Cl)cc2)C1 257197993 PJHTXVOZQLCXLG-INIZCTEOSA-N 320.824 1.373 0 40 DDAB O=C(c1ccncc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257298551 RMFIHDFPHKJLJN-HUUCEWRRSA-N 302.305 1.485 0 40 DDAB NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 257283564 OYVQDQUKASZHRM-AWEZNQCLSA-N 311.389 1.738 0 40 DDAB COc1cccc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2)c1 96123261 IZQHIYKFXQLSLO-LBPRGKRZSA-N 323.374 1.654 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1Cc1ccc2c(c1)OCO2 585094764 LQIVPPKUEBHXMH-ZDUSSCGKSA-N 315.373 1.722 0 40 DDAB C[C@H]1C[C@@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CCN1C 585140892 LEKZJCFTINEGJU-JSGCOSHPSA-N 322.453 1.948 0 40 DDAB O=S(=O)(c1cccc(CN2CCCC2)c1)N1CCOCC1 58874470 JXQNSKJBWRCWDD-UHFFFAOYSA-N 310.419 1.303 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)NCCO 69202559 VVZPLCSWUQPDHR-LBPRGKRZSA-N 319.405 1.981 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)n3cccn3)C2)n1 72235424 XRQQETLCZUDJGG-SMDDNHRTSA-N 302.382 1.516 0 40 DDAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1cccc(C(F)(F)F)c1 85468833 MJQKKRUKHLSTSU-ADEWGFFLSA-N 303.280 1.567 0 40 DDAB COc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)O)c1 169751179 XYJIJZLHNPCPRR-UHFFFAOYSA-N 315.329 1.687 0 40 DDAB CCc1ncnc(N2CCN(c3cc(OC)ncn3)CC2)c1F 302169646 SXVHODADLXNHFR-UHFFFAOYSA-N 318.356 1.303 0 40 DDAB O=C(NCCn1cccnc1=O)c1nc2ccccc2s1 675008203 IEOYNSRMSYZBJZ-UHFFFAOYSA-N 300.343 1.283 0 40 DDAB O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)cc1 5018023 UIIYZERPFHNYNU-UHFFFAOYSA-N 320.305 1.569 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13249191 MECMQLWVVHXMPU-QWHCGFSZSA-N 302.330 1.652 0 40 DDAB COC(=O)c1ccc(COC(=O)[C@H](CC(C)C)NC(N)=O)o1 14199731 ZPVXYNNIXSHROM-JTQLQIEISA-N 312.322 1.192 0 40 DDAB COCCNc1nc([C@H](C)Cn2cc(Cl)cn2)cc(=O)[nH]1 19457503 FTGFQKIYXHTCRV-SECBINFHSA-N 311.773 1.482 0 40 DDAB CCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1 6879709 FXFQSUDBKLFGQZ-UHFFFAOYSA-N 314.407 1.280 0 40 DDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)n1 225498206 CFJWZVKTNMOAEH-LLVKDONJSA-N 318.333 1.465 0 40 DDAB Cc1ccc(N2C[C@@H](NC(=O)NCCN(C)C)CC2=O)cc1C 5187770 ZTPDWEWNBOUCQG-AWEZNQCLSA-N 318.421 1.270 0 40 DDAB CCCCOc1ncccc1CNC(=O)[C@@H]1CN(C)C[C@H](C)O1 527544065 WMCJHUXHZJOEES-ZFWWWQNUSA-N 321.421 1.596 0 40 DDAB COC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 410880 XETFVSUSTZSHAE-UHFFFAOYSA-N 306.347 1.333 0 40 DDAB c1cnc2c(CN3CCC[C@@H](Cn4nccn4)C3)ccnc2n1 1888869417 LCWSIYOSNVKMHK-CYBMUJFWSA-N 309.377 1.529 0 40 DDAB O=C(c1ccoc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 28921909 WCTBJHGYPVTGFF-MRXNPFEDSA-N 300.358 1.771 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NCc1cccs1 33029115 DWYDXRUFTCKMKX-UHFFFAOYSA-N 304.371 1.803 0 40 DDAB Cc1ccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)o1 2056218222 CSGJZTHWZPYBFM-UHFFFAOYSA-N 305.378 1.854 0 40 DDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CC2)N1Cc1ccncc1 1565548194 ZEOINFHCACWHTG-ZIAGYGMSSA-N 317.364 1.676 0 40 DDAB CCO[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1Cc1cccnc1 1565549606 VKJHGVWKMOVOMD-GJZGRUSLSA-N 300.362 1.667 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]21 1565544503 IUBANFQOADGJSC-XYJFISCASA-N 322.449 1.681 0 40 DDAB Cc1nc(C(=O)N2C[C@H]3CN(CC(C)C)C(=O)[C@H]3C2)cs1 1565553481 AQAZFGKWHPEMCH-NEPJUHHUSA-N 307.419 1.638 0 40 DDAB CC(=O)Nc1cccc(NC(=O)C(=O)NCc2cccs2)c1 5250826 JODBIYFBGHBPDB-UHFFFAOYSA-N 317.370 1.961 0 40 DDAB CN(C)[C@@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@@H]2CCC(=O)N21 12413921 BTPPIVIFIBWRNQ-SMDDNHRTSA-N 311.744 1.662 0 40 DDAB Cc1cc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1 1849112448 NBMKDSHTJOMIEM-UHFFFAOYSA-N 312.421 1.329 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)NCC(C)(C)C)ncn2C1 2055715646 ACFVDXYFDLMNOH-LBPRGKRZSA-N 320.437 1.746 0 40 DDAB CN([C@H]1CCCN(Cc2ccccn2)C1)S(=O)(=O)C1CC1 2086886965 KEQJBLBDLGWVAK-AWEZNQCLSA-N 309.435 1.470 0 40 DDAB COC(=O)c1ccc(CSc2nnc3[nH]c(=O)cc(C)n23)o1 4249970 PFZPROJCNXRPQL-UHFFFAOYSA-N 320.330 1.398 0 40 DDAB CCCn1cc(CNC(=O)C(=O)Nc2cccc(O)c2)c(C)n1 40283043 RKMHJCCTJULJDK-UHFFFAOYSA-N 316.361 1.562 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cncc(Br)c1 40521453 HOYUIAFMXPJFLT-SNVBAGLBSA-N 312.167 1.243 0 40 DDAB COCCNC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C 51317606 XZHPACYGCFMINX-UHFFFAOYSA-N 324.768 1.614 0 40 DDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@H]3C(N)=O)c2c1 20760963 MMRUJKBACDVEFI-KBPBESRZSA-N 317.345 1.252 0 40 DDAB biogenic COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2C)c1 421383 WDKHVPNSRIYGDY-UHFFFAOYSA-N 320.374 1.641 0 40 DDAB COc1cccc(CNCC2CCN(C[C@@H](C)O)CC2)c1OC 69329689 KMHDUVMQCVEWFY-CQSZACIVSA-N 322.449 1.886 0 40 DDAB NC(=O)[C@@H](CNc1ncnc2[nH]cnc12)Cc1ccc(F)cc1 91481269 JALKOUTYTMWDNR-SNVBAGLBSA-N 314.324 1.248 0 40 DDAB C[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H]1N(C)C 76050629 HOZVFPLPCGGVLJ-RISCZKNCSA-N 319.434 1.410 0 40 DDAB CCc1nc(CC(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)cs1 78888700 XCNNBPIKZSRKDM-LLVKDONJSA-N 321.406 1.275 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)N(CC(=O)OC)C2CC2)cc1 79714714 NRSCXIAZMGVKJX-UHFFFAOYSA-N 302.330 1.589 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 32971890 VKNQDABBESGQPF-GFCCVEGCSA-N 306.366 1.020 0 40 DDAB O=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2 3959328 OPQTYEFBCWNNLJ-UHFFFAOYSA-N 315.398 1.712 0 40 DDAB Cc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1 2709708 LNMNXZAVKYHJKL-UHFFFAOYSA-N 303.406 1.878 0 40 DDAB COc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1OC 6640064 KNTUBHXMVJEJQM-CMPLNLGQSA-N 307.346 1.519 0 40 DDAB CC(C)N1CCC(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC1 6726250 OTOZGQDRVHDHNH-OSRDXIQISA-N 308.422 1.722 0 40 DDAB C[C@@H](c1nc2ccccc2o1)N1CCC(CS(N)(=O)=O)CC1 97047183 ODNVPSXBZZXCAJ-NSHDSACASA-N 323.418 1.889 0 40 DDAB Cc1cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)on1 52964951 YGUCVEBJVRCVDI-OAHLLOKOSA-N 315.373 1.474 0 40 DDAB O=C([C@H]1CCCN(CCOc2ccccc2)C1)N1CCOCC1 54994448 STZMZLZGHHDJGM-INIZCTEOSA-N 318.417 1.636 0 40 DDAB CCc1ccc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc1 8262015 FWOQHVJFCCHCPG-AWEZNQCLSA-N 302.374 1.461 0 40 DDAB CNc1snc(C)c1C(=O)OCC(=O)Nc1ccc(O)cc1 8326075 GMKXFXNGLJESSN-UHFFFAOYSA-N 321.358 1.994 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)C1 46941312 ZNRZTLJQTNHXHE-LBPRGKRZSA-N 314.345 1.358 0 40 DDAB COC(=O)CN1CCCN(Cc2cn(C)nc2C(C)(C)C)CC1 97033853 BRJRIGLBBUXWNE-UHFFFAOYSA-N 322.453 1.398 0 40 DDAB Cn1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1=O 42089934 NXSYHQCECCNRAR-UHFFFAOYSA-N 307.309 1.890 0 40 DDAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1nncs1 47320445 SUNNABSBJQGKDB-UHFFFAOYSA-N 306.395 1.529 0 40 DDAB COc1ccc(-c2nn(CN3CCOCC3)c(=S)n2C)cc1 23995847 BIENMPPQOVULAU-UHFFFAOYSA-N 320.418 1.916 0 40 DDAB Cc1nnc(C[C@@H]2CO[C@@H]3CN(Cc4c(C)noc4C)C[C@H]23)o1 108525663 MFNCQEARIOZTPD-BPLDGKMQSA-N 318.377 1.672 0 40 DDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 101359535 KONWAFWYYOOUOD-TUVASFSCSA-N 313.309 1.341 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCSc2c(F)cccc21 72270108 MJLIXYZZUIQKJS-CABZTGNLSA-N 323.393 1.893 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)N1CC1CC1 107198425 HQDALPSBIQXYPF-LSDHHAIUSA-N 320.414 1.461 0 40 DDAB NC(=O)c1cccc(OC(=O)C2CCN(C(=O)C3CC3)CC2)c1 47889531 QDDXQPXZOWVUPA-UHFFFAOYSA-N 316.357 1.340 0 40 DDAB CN(C)c1ccc(NC(=O)COC(=O)c2cccn2C)cc1 3295796 ASZNIXSYHPVPEA-UHFFFAOYSA-N 301.346 1.887 0 40 DDAB NC(=O)c1ccncc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 108177714 QAIRVWVTNJOSDR-YDHLFZDLSA-N 300.406 1.491 0 40 DDAB O=C(COC(=O)CCOc1ccccc1)NCc1ccco1 3229282 JRQJCJLIDWZTAB-UHFFFAOYSA-N 303.314 1.908 0 40 DDAB O=C1O[C@@H]2CC[C@@H]3[C@H]2[C@@H]2[C@@H]4[C@H]5[C@@H]6[C@H]7CC[C@H]8OC(=O)[C@]([C@H]5[C@@H]87)([C@H]34)[C@]162 104285516 QJPJBOJVIXYGHB-OHNLRGBASA-N 324.376 1.628 0 40 DDAB CN(C(=O)NCCCc1nc2ccccc2[nH]1)[C@@H]1CCOC1 119339747 RGQAKEWMDUYEJL-GFCCVEGCSA-N 302.378 1.926 0 40 DDAB C[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)n1cnc2ccccc21 48126870 VUPQDHFZQBOWCX-BLLLJJGKSA-N 322.368 1.940 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)COC2CCCC2)cc1 58197484 PUGDZCZTZTVGHN-UHFFFAOYSA-N 320.389 1.387 0 40 DDAB O=C(Cc1cccc(F)c1)NCCNc1cn[nH]c(=O)c1Cl 58201939 GZYXRUSFGBWSHL-UHFFFAOYSA-N 324.743 1.333 0 40 DDAB COc1ccnc(N2CCC(c3ccnn3CCO)CC2)n1 58292621 IZTFYGNPMIPZCK-UHFFFAOYSA-N 303.366 1.058 0 40 DDAB CCNC(=O)C(=O)NCc1nc(-c2ccc(CC)cc2)no1 58202324 WQTYKOFBEIJULB-UHFFFAOYSA-N 302.334 1.051 0 40 DDAB CC(C)(CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1F 58332974 YXSLJIUJUJLUHZ-UHFFFAOYSA-N 320.364 1.759 0 40 DDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccccc1 36593714 UTRNNOXDHINSHB-CQSZACIVSA-N 309.325 1.766 0 40 DDAB CC(=O)NCCNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 28834658 PHQYAZFDEODXIP-UHFFFAOYSA-N 306.753 1.596 0 40 DDAB COc1cccc([C@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)c1 29091037 COVWOHMOWKTBHE-GJZGRUSLSA-N 315.373 1.813 0 40 DDAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(CO)cc1 3523317 OJFWSLUWPZZJDY-UHFFFAOYSA-N 316.338 1.605 0 40 DDAB CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CCS(=O)(=O)C1 48686417 RTLAQVHHFDHXJP-SECBINFHSA-N 305.831 1.474 0 40 DDAB COC(=O)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(F)c1 69657946 SKVNKZRDTWJRPD-QMMMGPOBSA-N 319.329 1.679 0 40 DDAB CC(=O)N1CCC(CNc2nc(C)nc3c2CCNCC3)CC1 63857554 SBUYVSIUSZZEQN-UHFFFAOYSA-N 317.437 1.144 0 40 DDAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(C[C@@H](C)O)CC1 69740252 PCOPETMRNBHXBY-CABCVRRESA-N 311.470 1.212 0 40 DDAB CN(C)c1c(Cl)cccc1NC(=O)CCN1C(=O)CCC1=O 49749501 DVIZFRNQSJQTRW-UHFFFAOYSA-N 323.780 1.884 0 40 DDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1cccnc1 13726614 XUTICMOMEUMNDU-UHFFFAOYSA-N 308.341 1.723 0 40 DDAB O=C(CSc1nncn1-c1ccccc1F)N1CCOCC1 6129370 HBECEHHSQJOGNR-UHFFFAOYSA-N 322.365 1.357 0 40 DDAB CC(C)=CC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69812386 DRFTVQATOOKDNR-AWEZNQCLSA-N 322.430 1.922 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1ccc(-n3cncn3)cc1)CC2 69809970 QCVPTHCUYQTGQL-AWEZNQCLSA-N 309.377 1.272 0 40 DDAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)Nc1nccs1 69846722 LTOADZOHDCMXBO-WDEREUQCSA-N 317.370 1.763 0 40 DDAB COc1ccc(CNCCNC(=O)c2ccncc2)cc1OC 4498108 DRKINBDFRKEWSM-UHFFFAOYSA-N 315.373 1.618 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)o2)cc1 14014597 PRRCJQNPFNUMFQ-UHFFFAOYSA-N 322.386 1.567 0 40 DDAB C[C@@H](OCC1CC1)C(=O)Nc1ncn(Cc2cccnc2)n1 65539824 WCUXXIFMKRENKB-LLVKDONJSA-N 301.350 1.475 0 40 DDAB CC(C)c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 6661428 SPSKLLOSCPRUHS-OLZOCXBDSA-N 310.444 1.670 0 40 DDAB C[C@@H]1CN(C2CCN([C@H](C(N)=O)c3ccccc3)CC2)CCO1 66562123 MVERJEFYGOHYMJ-PBHICJAKSA-N 317.433 1.398 0 40 DDAB CN1N[C@H](c2cccnc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 19171849 NHKATZPGLBLILP-RBSFLKMASA-N 314.389 1.259 0 40 DDAB COCCN1[C@@H](C)CN(Cc2ccc([S@](C)=O)cc2)C[C@H]1C 93479260 YOTRDVUBEUOPNH-ZCCHDVMBSA-N 324.490 1.965 0 40 DDAB CC[C@H](C)NC(=O)COC(=O)CCn1c(=O)oc2ccccc21 7620919 UOPMXBPFDRWTDJ-NSHDSACASA-N 320.345 1.443 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1ccco1 16087118 FBYSUAHLNXUZOV-UHFFFAOYSA-N 324.358 1.725 0 40 DDAB Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3O)cnc12 91075611 VCUQZJUOYQCNBA-CHWSQXEVSA-N 301.346 1.036 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(C)c2ccccc2C1 69090289 XGBSDSJRHRIKNP-LBPRGKRZSA-N 304.394 1.173 0 40 DDAB COC(=O)CC[C@H](NC(=O)N1CCc2ccccc21)C(=O)OC 9485618 WDRYYWODYFRDBA-LBPRGKRZSA-N 320.345 1.254 0 40 DDAB Cc1cc(C)n(CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)n1 97164952 IJSUTNUKIKDHSA-UHFFFAOYSA-N 315.439 1.172 0 40 DDAB O=C(NCC(=O)N1CCOCC12CCC2)c1ccc(F)c(F)c1 97162764 XAIXYBVXLBSNDF-UHFFFAOYSA-N 324.327 1.476 0 40 DDAB CC(C)[C@@H](CNC(=O)NCc1ccccn1)N1CCN(C)CC1 71798613 FRKDJPDPWKHPHM-MRXNPFEDSA-N 319.453 1.153 0 40 DDAB CN(Cc1cccn1C)C(=O)c1ccnc(O[C@@H]2CCOC2)c1 97110727 ANZCRHGXYZLLEU-OAHLLOKOSA-N 315.373 1.860 0 40 DDAB Cc1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)no1 97159036 XDBWONZOYFGRLW-LBPRGKRZSA-N 306.366 1.008 0 40 DDAB C[C@@H]1C[C@H]1c1cc(NC(=O)c2c[nH]c3c(cnn3C)c2=O)[nH]n1 97162487 QWELWJSYCPFDEA-HTQZYQBOSA-N 312.333 1.360 0 40 DDAB CN(C)CC(=O)NC(C)(C)CN1CCN(c2ccccc2)CC1 97104320 OSUPXUVDRNCAEU-UHFFFAOYSA-N 318.465 1.265 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(c3ccccc3)CC2)cn1 71830406 CHIHDHMDPPDVIE-DLBZAZTESA-N 310.401 1.872 0 40 DDAB CCc1ccc2c(Cn3cnnc3[S@](C)=O)cc(=O)oc2c1 71899930 XACXMGOQOPUTIX-JOCHJYFZSA-N 317.370 1.733 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 71847721 VSNLVKHLXVJTOK-OAHLLOKOSA-N 309.369 1.921 0 40 DDAB COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1OCC(N)=O 71815171 XVUPYAOXDGEXHQ-GFCCVEGCSA-N 318.373 1.532 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)c1nccnc1C(N)=O)[C@@H](C)C2 97236481 ULYSBMWYZJXHMA-GXFFZTMASA-N 310.357 1.547 0 40 DDAB COc1cc(NC(=O)c2cccc[n+]2[O-])ncc1Br 95447637 LFHWKDAAHGZBRX-UHFFFAOYSA-N 324.134 1.738 0 40 DDAB C[C@](O)(CNS(=O)(=O)C1CCOCC1)c1cccs1 95468369 SIIBSQOUSQSCIJ-LBPRGKRZSA-N 305.421 1.054 0 40 DDAB CCc1ccc(C(=O)NCc2ccon2)cc1S(C)(=O)=O 95451755 ACYMJAYCKWPGIN-UHFFFAOYSA-N 308.359 1.571 0 40 DDAB Cc1cc(C(=O)NCCNS(C)(=O)=O)c(Cl)cc1F 95413838 GSSLFQYRINKJPG-UHFFFAOYSA-N 308.762 1.067 0 40 DDAB Cc1cc2cc(NC(=O)N3CCN(CCO)CC3)ccc2[nH]1 95418807 AXQWYXVKBOOPHM-UHFFFAOYSA-N 302.378 1.618 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)s1 95442367 MCSQMRDUTWSGSL-OLZOCXBDSA-N 324.427 1.697 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-n2cnnc2)cc1 95981021 OQVWNWIVYBMKAB-INIZCTEOSA-N 322.368 1.601 0 40 DDAB C[C@@H](NC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCCO1 95950778 VWGVUFBVMDBPGA-UKRRQHHQSA-N 307.394 1.674 0 40 DDAB O=C(NC1CC=CC1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 95997823 ANCYEVQRKIZJSO-QWHCGFSZSA-N 304.371 1.525 0 40 DDAB Cc1noc(-c2cccnc2N2CCS(=O)(=O)[C@@H](C)C2)n1 95943152 AGRSVTJETROKBZ-VIFPVBQESA-N 308.363 1.063 0 40 DDAB CSCc1cc(F)ccc1CNC(=O)[C@H]1CN(C)CCO1 89385628 NLBJNOFUYWYZCR-CQSZACIVSA-N 312.410 1.636 0 40 DDAB CC(C)(NCC(=O)NC(N)=O)c1ccc(Br)cc1 89761844 CZJFQMOWADHKBN-UHFFFAOYSA-N 314.183 1.469 0 40 DDAB CCn1ccnc1CN1CCN(Cc2cnc(C)cn2)CC1 75584923 ULBRQNWUAITGQJ-UHFFFAOYSA-N 300.410 1.319 0 40 DDAB CN(C)C(=O)NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21 306126878 FHVOFIXNPQSVDO-AWEZNQCLSA-N 321.425 1.080 0 40 DDAB CCc1c[nH]c2ncnc(N3CC(CN4CCN(C)CC4)C3)c12 1550628343 IESRKQIZSCHQRJ-UHFFFAOYSA-N 314.437 1.204 0 40 DDAB CCc1ccccc1NC(=O)C[C@@H]1SC2=NCCN2C1=O 36635300 YZYSMZALHXQNJT-LBPRGKRZSA-N 303.387 1.891 0 40 DDAB Cn1cc(CN2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cn1 306129628 IIOCTURXICWQCJ-HOTGVXAUSA-N 320.400 1.908 0 40 DDAB CC(C)C1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 516786768 FMWPYTVNMBRMHT-WUCCLRPBSA-N 322.453 1.155 0 40 DDAB CC(C)CCNC(=O)c1nnc2n1CC1(CCNCC1)CC2 306127429 FYMGHUQSBJRZAU-UHFFFAOYSA-N 305.426 1.370 0 40 DDAB C[C@H](C(=O)O)N(C)C[C@H](O)c1ccccc1Br 819889074 KJAKVAGYEIKEOX-KCJUWKMLSA-N 302.168 1.887 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)NCCn2ncccc2=O)c1 38510177 ZPSOXJUFUBUVNQ-CYBMUJFWSA-N 301.346 1.135 0 40 DDAB Cc1ccc(NC(=O)/C=C/C(=O)O)c(NC(=O)/C=C\C(=O)O)c1 31716730 WKNZCGAJBXKEIH-GUBXDBFYSA-N 318.285 1.154 0 40 DDAB Cn1cc(C(=O)N2CCCC[C@H]2c2cc(CCO)[nH]n2)cn1 72386015 NBNIGVXFEIRFIP-AWEZNQCLSA-N 303.366 1.045 0 40 DDAB CO[C@@H]1COCC[C@@H]1CN1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O 561261831 ZXCOFFHMTKEXEW-VJTDZRGJSA-N 308.378 1.101 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(F)cc1 73742885 XXYTXYSRMFRORM-CQSZACIVSA-N 307.369 1.042 0 40 DDAB CC[C@@H](C)NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 44873554 ZLQLWYFWACJUEN-SECBINFHSA-N 310.350 1.096 0 40 DDAB O=C(Cc1ccn(-c2ccccc2)n1)N1CC[C@@H]2CNC[C@@H]2CC1 567848048 NMWDHQOCSAIONI-IYBDPMFKSA-N 324.428 1.873 0 40 DDAB COC(=O)[C@H]1CCCN1c1ncnc2c1cnn2C(C)(C)C 195574049 FAFNKOMYIMUSDS-LLVKDONJSA-N 303.366 1.723 0 40 DDAB Cn1nccc1CNC(=O)N1CCN(c2ccccc2O)CC1 46942234 ZBLJLDWVEKSUFS-UHFFFAOYSA-N 315.377 1.158 0 40 DDAB CC(=O)c1cc(C(=O)N2CCc3nc[nH]c(=O)c3C2)ccc1C 194394190 FRNGFJRBYILVAH-UHFFFAOYSA-N 311.341 1.479 0 40 DDAB O=C(CCCn1ccnc1)N[C@H]1CCCN(c2ccccn2)C1 131173930 MQVCRQNBHQCYJI-HNNXBMFYSA-N 313.405 1.844 0 40 DDAB CC(=O)[C@](C)(O)CN1CCc2c(ncn2-c2ccc(F)cc2)C1 573196888 PZBBTYXIUFDUNJ-QGZVFWFLSA-N 317.364 1.710 0 40 DDAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 225478409 COZGRNVGLKAZTP-RKDXNWHRSA-N 322.352 1.852 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCn1cnc(C)cc1=O 85555927 RQVGXVOZFYWMMO-UHFFFAOYSA-N 321.764 1.644 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 82311604 ISGDRARJSQQVEZ-CQSZACIVSA-N 305.397 1.816 0 40 DDAB CCOC(=O)c1cc(N)n(-c2ccccc2S(C)(=O)=O)n1 95094631 ZZXWUMOPASWMDO-UHFFFAOYSA-N 309.347 1.035 0 40 DDAB CCc1oc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1C 95463737 SFOSFNBIRXDSFA-NSHDSACASA-N 314.407 1.256 0 40 DDAB O=C(NCCO)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96266696 XMTDMBQPTMBIKG-UHFFFAOYSA-N 324.384 1.935 0 40 DDAB CCc1ccc(CN2CCN(C(=O)[C@H](C)NC(N)=O)CC2)s1 96414525 FPDWJJZVUVKJMU-NSHDSACASA-N 324.450 1.012 0 40 DDAB CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc(F)cc1)C2 96084447 JGBQGJAFZCXWGC-UHFFFAOYSA-N 302.353 1.777 0 40 DDAB COCCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 247888607 SKCUMRKFXMXBHQ-AWEZNQCLSA-N 320.389 1.505 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](n3nccn3)C2)cc1 244955791 FZZXSTFJBRVPRT-HNNXBMFYSA-N 318.402 1.834 0 40 DDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2Cc2cscn2)n1 257293295 QOXUTSCBTFVHNE-ZDUSSCGKSA-N 319.434 1.881 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(Cc3ccncc3)CCN2C)c1 257204864 AWPPLFYAVFHVQS-SFHVURJKSA-N 324.428 1.930 0 40 DDAB O=C(Cn1cccc1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 252538043 MOLJKNYLWJLFJV-HDJSIYSDSA-N 300.362 1.785 0 40 DDAB CCc1cc(C(=O)N2CCOC[C@@H](Cc3cnccn3)C2)on1 257212155 CCDHCEMZXZYWTM-LBPRGKRZSA-N 316.361 1.358 0 40 DDAB CC(C)n1nccc1CN1CCO[C@@H](c2nccnc2N)C1 257288951 PWKASLNSVWRDPE-CYBMUJFWSA-N 302.382 1.410 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc3nc(C)[nH]c3c2)C[C@@]12CCCO2 257335447 YKEXSNUAQXXYGJ-RDJZCZTQSA-N 315.373 1.891 0 40 DDAB CNc1cncc(C[C@H]2COCCN(Cc3ccccn3)C2)n1 257242348 ICBHMNBNPZTLRO-CQSZACIVSA-N 313.405 1.604 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)C)cc1 352947666 QICAZZHGEGIGNR-LLVKDONJSA-N 314.407 1.277 0 40 DDAB Cc1cccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)O)c1C 263020732 MDQULEAIJSWSML-AWEZNQCLSA-N 317.345 1.154 0 40 DDAB CCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)C2 575405048 QWVYNAUXBLHTHT-GFCCVEGCSA-N 312.391 1.040 0 40 DDAB COc1cc(C)nc(N2CCC[C@@H]2CN(C(C)=O)C2CC2)n1 683354081 YKQAPCVTMYXQDK-CQSZACIVSA-N 304.394 1.773 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)c1 69489246 HDEPDBCINWYRNO-CQSZACIVSA-N 300.362 1.368 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 11008776 ZHCNDOFLPLEKNG-UHFFFAOYSA-N 323.378 1.328 0 40 DDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C)CC1 12865520 QYBMPNMYMSRBIL-UHFFFAOYSA-N 310.419 1.258 0 40 DDAB O=c1[nH]c2cc3c(cc2cc1CNC[C@@H]1CCCO1)OCO3 13998142 FWTMYSCUMAYHIT-LBPRGKRZSA-N 302.330 1.525 0 40 DDAB CC(C)[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 15396637 XUZKWUAJVAZPGR-LBPRGKRZSA-N 309.753 1.855 0 40 DDAB Cc1nc([C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)cc(=O)[nH]1 19285283 FZURHNPRKAQADR-CQSZACIVSA-N 313.405 1.981 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)cn1 19747962 MCSQBFNPKWCDPF-CQSZACIVSA-N 317.389 1.565 0 40 DDAB Cc1oncc1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225447906 HFASDCMCKSPIHI-NSHDSACASA-N 317.349 1.133 0 40 DDAB O=C(NC[C@]1(O)CCOc2ccccc21)NC1CCOCC1 225556311 CXINKZSMHRWBMP-MRXNPFEDSA-N 306.362 1.135 0 40 DDAB Cn1ncc2c(N3CC[C@H](C(=O)NC(C)(C)C)C3)ncnc21 1889084255 YXWWDLYXMHQGQS-JTQLQIEISA-N 302.382 1.104 0 40 DDAB CC(C)C(=O)NCCNCc1cnn(Cc2ccccc2)c1 24082124 MCQZCPSXEGOVCM-UHFFFAOYSA-N 300.406 1.793 0 40 DDAB O=C(NCCn1c(O)nc2ccsc2c1=O)OC1CCCC1 238833057 GJKWSKUTWBUSKE-UHFFFAOYSA-N 323.374 1.832 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H]3C[C@]32C(=O)NC2CCC2)n(C)n1 2056225180 GMEMMDWNQOZXGT-BDJLRTHQSA-N 302.378 1.002 0 40 DDAB COC1(CC(=O)N2CCc3ncnc(N(C)C)c3CC2)CCC1 1565551716 QWFNMCSGJXVWMI-UHFFFAOYSA-N 318.421 1.429 0 40 DDAB COCCN1CCC[C@@]12CCCN(C(=O)c1csnn1)CC2 1565545756 NWPADIVSVHKRNX-OAHLLOKOSA-N 324.450 1.645 0 40 DDAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CCCC1 13807960 LCLFVMVMLMXXGC-UHFFFAOYSA-N 301.321 1.672 0 40 DDAB CN(C)c1ncc(NC(=O)/C=C/c2ccco2)c(N(C)C)n1 206731666 UTYZMVKMSJRVEC-BQYQJAHWSA-N 301.350 1.854 0 40 DDAB C[C@@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 20565788 FRVKNBYLRPHELK-WCQYABFASA-N 311.403 1.513 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)nc1 31612199 FCZRGQBVSRKWJY-QMMMGPOBSA-N 308.281 1.017 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)s1 40505301 AITILVKXWRRSNO-KGLIPLIRSA-N 324.446 1.524 0 40 DDAB CONS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 40529085 WIQOEYZSIIIGOT-UHFFFAOYSA-N 324.333 1.918 0 40 DDAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccnc1 69444479 XWYWTKJGPQAPHB-MRXNPFEDSA-N 304.438 1.570 0 40 DDAB Cc1ccc(-c2nc(CC(=O)N3CCNC(=O)C3)cs2)o1 46317372 LOCMSQHWGXDQEK-UHFFFAOYSA-N 305.359 1.212 0 40 DDAB CC(C)N1C[C@H](C(=O)NCCCOCc2ccco2)CC1=O 46320713 OMGLBYDOPMYBHJ-CYBMUJFWSA-N 308.378 1.559 0 40 DDAB CC(C)OC(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccccc12 369148 XPIMPAKFPWKGIR-JMSVASOKSA-N 306.387 1.882 0 40 DDAB O=C1NCCN1C1CCN(Cc2nc3ccccc3o2)CC1 52216214 FPJYGOYSGKYBAF-UHFFFAOYSA-N 300.362 1.817 0 40 DDAB COc1ccc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)cn1 69485079 YYCCLBRVLRSSHL-JTQLQIEISA-N 318.333 1.510 0 40 DDAB Cc1cc(OCc2n[nH]c(SCC(N)=O)n2)ccc1Cl 2653716 BCAFYFHSUUOVLC-UHFFFAOYSA-N 312.782 1.923 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc2c1=O 2646733 YVFFSHWRWYWRGN-AAEUAGOBSA-N 300.362 1.486 0 40 DDAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cccnc1 905217 MIPZFUCHIHLMEM-UHFFFAOYSA-N 317.418 1.982 0 40 DDAB Cn1c(CN2CCCC[C@H]2c2nc[nH]n2)nc2ccccc2c1=O 96002308 USYMRLGWPPWACU-AWEZNQCLSA-N 324.388 1.779 0 40 DDAB CC(C)c1ocnc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76053928 MVVUADKJKDMIGY-CHWSQXEVSA-N 307.394 1.591 0 40 DDAB Cn1nc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)ccc1=O 76044614 CDYRELCNXGZDDR-NSHDSACASA-N 315.333 1.018 0 40 DDAB CCc1ccc(O)c(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 76466313 LDACUJRBFYYFLY-HNNXBMFYSA-N 318.417 1.749 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)[C@@H]2CCOc3ccccc32)CC[S@@]1=O 76545834 MXUQXHCKSYZWDA-VMMKKLLLSA-N 307.415 1.921 0 40 DDAB COCCNC(=O)CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C 76955550 IAKFYIXDBLFXPV-CABCVRRESA-N 304.390 1.320 0 40 DDAB Cc1csc2nc(CS[C@H]3CCCCNC3=O)cc(=O)n12 78555575 NWLFOIOLOIZRRT-NSHDSACASA-N 323.443 1.966 0 40 DDAB CS(=O)(=O)N[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 1695755 QZNMKLUUSKXLDR-GDBMZVCRSA-N 317.366 1.921 0 40 DDAB C[C@H](CN1CCCCC1)NC(=O)c1cccc(-n2cncn2)c1 78734135 CNVIFQIZYOHYES-CQSZACIVSA-N 313.405 1.872 0 40 DDAB Cc1nnsc1-c1nn2c(-c3cnn(C)c3C)nnc2s1 79481311 MDYOCKQIRHZJON-UHFFFAOYSA-N 318.391 1.722 0 40 DDAB Cc1nnnn1-c1cccc(C(=O)NCCc2ccncc2)c1 79473789 ZDDZPPDISHZZMH-UHFFFAOYSA-N 308.345 1.338 0 40 DDAB CCCCN(CC(N)=O)CC(=O)N[C@H](C)c1ccc(F)cc1 32927238 RKPDZFQMVNAVHB-GFCCVEGCSA-N 309.385 1.590 0 40 DDAB NC(=O)c1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)c[nH]1 32936133 QUSPRYJFZWQGMZ-UHFFFAOYSA-N 323.356 1.272 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(F)cc1 415081 LPLQCPYJMMZFBG-UHFFFAOYSA-N 311.320 1.796 0 40 DDAB O=C(NCc1cccs1)c1cc(F)ccc1-n1cnnn1 12390219 MYAKJKIJOAMHPA-UHFFFAOYSA-N 303.322 1.793 0 40 DDAB Cc1ccc(CN(C)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 42326866 QNLPHRFYKBZJGL-ZBFHGGJFSA-N 317.433 1.539 0 40 DDAB C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(-n2ccnc2)cc1 23155151 JQALCEPPIHQMIO-LBPRGKRZSA-N 323.356 1.457 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3scnc3C)C[C@@H]21 108527772 IAHXAJAPWMHNRX-KBPBESRZSA-N 311.451 1.373 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 42669656 CPCOCOZHQUYZCD-JTQLQIEISA-N 300.355 1.020 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102699677 BCPBUILYXSCONE-YUELXQCFSA-N 324.380 1.915 0 40 DDAB COc1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 54691585 UCAWCPLNFWVRMY-QGZVFWFLSA-N 312.369 1.971 0 40 DDAB CCOC(=O)c1ccsc1NC(=O)CN(CC)CCO 24672463 LMVAOBDTLFRSNF-UHFFFAOYSA-N 300.380 1.178 0 40 DDAB N=c1c(C(=O)N2CCOCC2)c[nH]c2c(-c3ccccc3)cnn12 105885985 UYNBRRYHSQOFLQ-UHFFFAOYSA-N 323.356 1.281 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 25218684 JSEJDAGMUMGCKY-HZPDHXFCSA-N 322.380 1.182 0 40 DDAB Cc1cccc([C@H](CC(=O)Nc2cnn(C)c2)NC(N)=O)c1 25310826 WENLQSVUXMXAEU-ZDUSSCGKSA-N 301.350 1.467 0 40 DDAB CC(C)=CCC[C@@H](C)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 105365515 AYRGGDSIYYYSRA-XBRDJLCQSA-N 305.374 1.988 0 40 DDAB CCCCCN(C(=O)NC(=O)NCCCC)S(C)(=O)=O 3214913 WHQVDSNWJFJIOO-UHFFFAOYSA-N 307.416 1.658 0 40 DDAB COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)COCC(C)C 107357936 IRLSBCLXBDYWDF-CWRNSKLLSA-N 321.417 1.948 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(F)c(F)cc2F)C1 97051833 QUFGGRQIDZKQAD-JTQLQIEISA-N 322.352 1.618 0 40 DDAB CC(C)(NC(=O)COc1ccc(C(F)(F)F)cc1)C(N)=O 57050840 QZBPMKJVSSNWOL-UHFFFAOYSA-N 304.268 1.464 0 40 DDAB CCOc1ccccc1-c1noc(CN2CC[C@H](C(N)=O)C2)n1 48037959 VTPYOMQISSGPNO-NSHDSACASA-N 316.361 1.443 0 40 DDAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CCCO1 28227751 LFPRNWNBHROHMA-STQMWFEESA-N 307.346 1.868 0 40 DDAB CC[C@@H](NCc1cccnc1)c1cccc(S(N)(=O)=O)c1 97033721 WFFLDZULMPRSCQ-OAHLLOKOSA-N 305.403 1.970 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)C1 26865435 YITNYZFGBBUZDB-JSGCOSHPSA-N 310.419 1.556 0 40 DDAB O=C(NCCCN1CCCC1)Nc1cccnc1-n1cccn1 48197458 VNCWDHLMZPNQMP-UHFFFAOYSA-N 314.393 1.875 0 40 DDAB C[C@@H](OC(=O)c1cc(Cl)ccc1O)C(=O)N1CCNC1=O 58153356 XSWYBXMNWDJUSU-SSDOTTSWSA-N 312.709 1.143 0 40 DDAB c1ccc(-n2ccnc2)c(CNC[C@@H]2CNc3ccnn3C2)c1 58299829 JPAFBRLVKHCTIZ-CQSZACIVSA-N 308.389 1.900 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccn(CC(N)=O)n1 58224655 SQUHBIQEPTYFPD-VIFPVBQESA-N 322.752 1.428 0 40 DDAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1ccco1 10297577 LVJTWVLCOXXWKE-LBPRGKRZSA-N 323.272 1.716 0 40 DDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 27975140 NNZAPILDNBQQLW-RISCZKNCSA-N 323.414 1.246 0 40 DDAB CN1C[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1=O 44911724 OGXDPRFYQBLHDP-KGLIPLIRSA-N 319.405 1.401 0 40 DDAB C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(C(N)=O)cc1 44914415 OJZYIMZPLIXQQM-SNVBAGLBSA-N 308.359 1.288 0 40 DDAB O=C(OCCn1nc2ccccn2c1=O)c1cccc(F)c1 44920592 DTWXWWVORAGNIM-UHFFFAOYSA-N 301.277 1.492 0 40 DDAB CCn1c(SCC(=O)NC2CC2)nc2ccsc2c1=O 27818804 LELVSCGXKRSWNB-UHFFFAOYSA-N 309.416 1.849 0 40 DDAB O=C(CNC(=O)CC1CCCCC1)NC[C@@H](O)c1ccccc1 58377575 BFHBHWDETQUGHP-MRXNPFEDSA-N 318.417 1.923 0 40 DDAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1 3396476 SPWICQFHEGENNQ-JTQLQIEISA-N 307.350 1.273 0 40 DDAB CCNC(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 48375405 GXQOPDBGAHKLEM-UHFFFAOYSA-N 317.433 1.245 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1cc[nH]n1 48341399 RIYVBWLQRZLDLQ-GFCCVEGCSA-N 302.334 1.391 0 40 DDAB Cc1ccccc1OCCN(C)[C@@H](C)C(=O)NC(=O)NC1CC1 11477633 NFZHSQVIVCAJDB-ZDUSSCGKSA-N 319.405 1.682 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3459796 FDDFCVCIWYJXHB-KRWDZBQOSA-N 317.389 1.616 0 40 DDAB CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 3503740 KKDKSNMPHNKLGC-CYBMUJFWSA-N 318.373 1.382 0 40 DDAB CCc1ccc([C@@H](C)NC(=O)CNC(=O)NCCOC)cc1 12930364 WRIRUFPJOLUDOS-GFCCVEGCSA-N 307.394 1.372 0 40 DDAB CCCN(CC1CC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 48707894 IICVPTQKTHVJPV-UHFFFAOYSA-N 316.448 1.587 0 40 DDAB CC(=O)Nc1nc(CN2CCC[C@@H]2Cn2cncn2)cs1 69620927 TXYWQSJJBIGNHG-GFCCVEGCSA-N 306.395 1.358 0 40 DDAB CC1(C)Cc2cc(CN3CCN4C(=O)NC[C@H]4C3)ccc2O1 91864544 BBVCRJNPWQPONJ-AWEZNQCLSA-N 301.390 1.610 0 40 DDAB O=C(NCCOc1ccccc1)c1cccnc1-n1cncn1 39551984 JJUJQSJHRMOJSZ-UHFFFAOYSA-N 309.329 1.471 0 40 DDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1 17945744 PRSBVAPFESUZQY-CQSZACIVSA-N 314.345 1.757 0 40 DDAB Cn1ccnc1Sc1ccc(S(=O)(=O)N2CCCC2)cn1 5267466 ZNEULDZMCIPMOI-UHFFFAOYSA-N 324.431 1.751 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 65404222 MUWPGKGOYRKMIZ-GFCCVEGCSA-N 315.381 1.607 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1c2ccccc2C[C@@H]1O 65475365 UHLWCHLMJPGSOP-JKSUJKDBSA-N 300.406 1.542 0 40 DDAB C[C@@H]1CN([C@@H]2CCOC2=O)CCN1C[C@H](O)c1ccccc1 69846535 KXTFZCOTNXAOTI-BMFZPTHFSA-N 304.390 1.042 0 40 DDAB CCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1C1CC1 14185001 OHLMPHRJKCFADQ-PWSUYJOCSA-N 324.450 1.951 0 40 DDAB C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C[C@@H](C)O)CC1 69895039 DCXBHGPJKDPYDS-UONOGXRCSA-N 308.397 1.529 0 40 DDAB Cc1ccc(C(=O)Nc2nc(=O)n(C(=O)C3CC3)s2)cc1 5540769 KIIPOIJIJIQCCN-UHFFFAOYSA-N 303.343 1.916 0 40 DDAB COc1cc2c(cc1OC)CN1C(=S)N(C3CC3)C(=O)[C@H]1C2 4761235 ISOMRGOBRCPXAC-GFCCVEGCSA-N 318.398 1.720 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633724 JXMQOAYCHZOEPJ-BXUZGUMPSA-N 324.402 1.302 0 40 DDAB CCCCN(CCO)CC(=O)N1CCCC[C@@H]1C(=O)OCC 70947540 HPAXCFGLTSNAAV-CQSZACIVSA-N 314.426 1.025 0 40 DDAB CCS(=O)(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 62183831 LJAMAYLCTLFGMM-UHFFFAOYSA-N 318.826 1.934 0 40 DDAB O=C(COC(=O)c1cc(Cl)ccc1F)NC[C@@H]1CCCO1 7522568 ZNEHOMUCWASKSM-JTQLQIEISA-N 315.728 1.931 0 40 DDAB CN(C)C(=O)CN(C)c1cnn(-c2ccccc2)c(=O)c1Cl 7981567 RTGMKNRVTNVRRH-UHFFFAOYSA-N 320.780 1.410 0 40 DDAB CCOCCN1CCN(C[C@@H](O)c2ccc(OC)cc2)CC1 72279842 HOKJSLXPBKOCHL-QGZVFWFLSA-N 308.422 1.383 0 40 DDAB CC(C)(C)OC(=O)Nc1cccc(CN2CCNC(=O)C2)c1 84240835 VYFCRKZEELWQPT-UHFFFAOYSA-N 305.378 1.965 0 40 DDAB Cc1nc(CC(=O)N2CCN(Cc3ccncc3)CC2)cs1 71815242 SZBZYCHDVGASSE-UHFFFAOYSA-N 316.430 1.733 0 40 DDAB NC(=O)[C@@H](CNC(=O)[C@@H]1CC=CCC1)Cc1ccc(F)cc1 71826722 HTPLRFPPXUQNBV-ZIAGYGMSSA-N 304.365 1.942 0 40 DDAB C[C@H]1CN(C(=O)c2ccccn2)[C@H](C)CN1C(=O)c1ccccn1 71921217 HKLQVMRXWOHYLL-OKILXGFUSA-N 324.384 1.852 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccc(Cl)cn1)c1ccc(F)cc1 97380138 YJOGXZGPHJSLOO-GFCCVEGCSA-N 307.712 1.831 0 40 DDAB C[C@H](C[S@](C)=O)N(C)c1ccc2nnc(C(F)F)n2n1 97377594 JJJANMQNRGQDRI-JLPJYYFKSA-N 303.338 1.265 0 40 DDAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)Nc1nncs1 84618681 YRANLOFTQRSQCQ-VIFPVBQESA-N 320.378 1.574 0 40 DDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ncn(C)c1=O 95442537 YNXZJPOQWGPTEX-VIFPVBQESA-N 310.304 1.080 0 40 DDAB COCCNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 95460997 XPWVVHMANKIVMN-LBPRGKRZSA-N 307.398 1.497 0 40 DDAB CCN(CC)c1ccc(C(=O)N(C)Cc2ncnn2C)c(O)c1 89241770 PKCAJXDUUISYES-UHFFFAOYSA-N 317.393 1.639 0 40 DDAB COCCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 89414211 BQDYLPLEHRVFPH-HUUCEWRRSA-N 306.406 1.858 0 40 DDAB Cc1cccc(OC[C@H](O)CN2C[C@@H]3CCCN3C[C@@H]2C)c1 89677583 WVVFQRNHYHCJNP-YESZJQIVSA-N 304.434 1.903 0 40 DDAB COCCN1CCC(CNC(=O)Cc2ccc(C)nc2)CC1 89652211 GJZWHCIJAYIZOL-UHFFFAOYSA-N 305.422 1.407 0 40 DDAB COc1ccc(CN(C)CC(=O)N2C[C@H](C)O[C@H](C)C2)cn1 89930236 KVMUWFLMSUETIQ-BETUJISGSA-N 307.394 1.158 0 40 DDAB COc1ccc2c(n1)N(C(=O)Cn1nc(C)c3cccnc31)CC2 1548454011 UYZDMYSQJJJSHD-UHFFFAOYSA-N 323.356 1.733 0 40 DDAB CC(C)n1cc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)nn1 551987630 SDWDMOBTFRQGHW-CQSZACIVSA-N 321.425 1.042 0 40 DDAB Nc1nc(N)nc(NC[C@@H](Cc2ccccc2)c2ccccn2)n1 1559303497 ALFXKPUPGFXWBT-CYBMUJFWSA-N 321.388 1.869 0 40 DDAB CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 35315862 LPGSNTGPJMRNPT-UHFFFAOYSA-N 319.386 1.262 0 40 DDAB CC(C)(C)CN1CCC[C@@H](N2CC[C@@H](O)C(F)(F)C2)C1=O 521398732 NABQTXHTMGPCIO-VXGBXAGGSA-N 304.381 1.725 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1N(C(=O)CN)C1CC1 79391166 HJYWOEQQOMDQGK-OLZOCXBDSA-N 311.426 1.772 0 40 DDAB CC(C)OCCCNC(=O)[C@@H]1CCCN(c2ncccn2)C1 32795757 VRPNGQCJKKODKH-CQSZACIVSA-N 306.410 1.624 0 40 DDAB CC(C)[C@H](N)C(=O)N(C[C@H]1COc2ccccc2O1)C1CC1 79418835 IBKIALJVWBGMDF-BBRMVZONSA-N 304.390 1.801 0 40 DDAB CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)NC1=S 39556392 ATGNDCXXLGLJAS-WDZFZDKYSA-N 315.354 1.413 0 40 DDAB COc1ccccc1NC(=O)Cc1ncc(C(=O)O)c(C)n1 217354878 QEJNTPIEUKTFKR-UHFFFAOYSA-N 301.302 1.673 0 40 DDAB CO[C@H]1C=C2[C@H]3CN(Cc4cc5c(cc43)OCO5)[C@H]2C[C@@H]1O 38228861 MKYLOMHWHWEFCT-AJNGGQMLSA-N 301.342 1.403 0 40 DDAB biogenic,in-vitro CCNC(=O)N1CCN(CCc2ccc3c(c2)CCO3)CC1 72558228 RXLSSAZMLQWOCC-UHFFFAOYSA-N 303.406 1.511 0 40 DDAB CC(C)OCCC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 79002127 UCEVCGNGGUUPDA-SNVBAGLBSA-N 310.316 1.423 0 40 DDAB COc1ccccc1CNC(=O)c1cn(C)c(=O)cc1OC 225650883 LCJMMRHZXXHWHW-UHFFFAOYSA-N 302.330 1.333 0 40 DDAB NCCCOC1CCN(C(=O)Cc2cccc(F)c2F)CC1 195537053 HAWXRSQMPBVCSA-UHFFFAOYSA-N 312.360 1.864 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1 225786928 FLHIVPSSKLGCPL-AWEZNQCLSA-N 322.386 1.711 0 40 DDAB O=C(CCCn1cccc1)N1CCN(C(=O)c2ccco2)CC1 49030958 NURBQVSQPUTGKK-UHFFFAOYSA-N 315.373 1.846 0 40 DDAB CN1C[C@@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCC1=O 194981309 MSPTVNOSZYHUEL-MELADBBJSA-N 305.353 1.602 0 40 DDAB O=S(=O)(NC[C@@H]1Cc2ccccc2CO1)c1cccnc1 225786877 NOVUEDJUVUGZPT-AWEZNQCLSA-N 304.371 1.501 0 40 DDAB CN(Cc1ccccc1)C(=O)CCNC(=O)C1(O)CCCCC1 86569579 LFVVPERLOQGDLO-UHFFFAOYSA-N 318.417 1.847 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CCC[C@@H]2O)cc1 195561680 ZILOGAQRYJVGBS-LZWOXQAQSA-N 311.447 1.908 0 40 DDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N1CCCCC1 225878450 ZTWZQUFTZVGMCC-UHFFFAOYSA-N 303.409 1.449 0 40 DDAB CC[C@H](O)CN(Cc1nc(N)nc(N(C)C)n1)c1ccccc1 83169988 GFSGNZOPGVQYOQ-ZDUSSCGKSA-N 316.409 1.297 0 40 DDAB COCC(=O)N1C[C@H]2CCC[C@H](N(C)Cc3cccnc3)[C@H]2C1 96182945 PUBWSGOYMKNSMP-IKGGRYGDSA-N 317.433 1.787 0 40 DDAB CN(C)C(=O)[C@@H]1CN(C(=O)C2=CCCC2)c2ccccc2O1 195539498 KDMVCCQCAJFDFD-HNNXBMFYSA-N 300.358 1.979 0 40 DDAB O=C(NC[C@@H](CO)Cc1ccccn1)[C@@H]1COc2ccccc21 96454744 PBTPHKWUOKONNL-XJKSGUPXSA-N 312.369 1.525 0 40 DDAB Cc1cc(CNC(=O)c2ccncc2)ccc1S(C)(=O)=O 96468326 UEHKBAYTZRUNRW-UHFFFAOYSA-N 304.371 1.724 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2[C@@H]2CCOC2)N1Cc1cccnc1 96186355 MGZFLRBSSQVRQR-PMPSAXMXSA-N 301.390 1.436 0 40 DDAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)C(C)C)o1 96115062 UGNJAPIOBAIYIZ-LBPRGKRZSA-N 309.362 1.642 0 40 DDAB biogenic O=C(NNC(=O)[C@H]1CCCO1)c1nc(C2CC2)n2ccccc12 91019099 NWGPUWUTDMFRQL-GFCCVEGCSA-N 314.345 1.152 0 40 DDAB C[C@@H]1CN(C(=O)Nc2cccnn2)CCN1CC(F)(F)F 96485980 BXIXQABDLCWKRH-SECBINFHSA-N 303.288 1.577 0 40 DDAB OCCOCc1ncn2c1CN(Cc1ccsc1)CCC2 96059004 LGMBVPSOOSLQAH-UHFFFAOYSA-N 307.419 1.859 0 40 DDAB O=C(c1ccco1)N1CCn2cc(CN3CCCC3)nc2C1 96197222 NZQKDCGSLGBNME-UHFFFAOYSA-N 300.362 1.728 0 40 DDAB COCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C[C@H]1C(=O)O 96069144 NCJZDXJPCXCTGA-GJZGRUSLSA-N 320.389 1.209 0 40 DDAB CCN1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)C1=O 96046752 MUIMYXCTQPQNLG-UHFFFAOYSA-N 301.390 1.865 0 40 DDAB O=C([C@H]1CCCN(CCOC[C@H]2CCCO2)C1)N1CCCC1 247805740 AUTWKVBBEHNFJW-JKSUJKDBSA-N 310.438 1.516 0 40 DDAB c1ccc(CN2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)nc1 248115847 SGHGLRSEEIVJTJ-HNNXBMFYSA-N 312.373 1.684 0 40 DDAB Cc1ncccc1O[C@H]1CCN(Cc2[nH]cnc2C)CC[C@@H]1O 257243123 IFOGRPGCWPBWLF-RDJZCZTQSA-N 316.405 1.826 0 40 DDAB O=S(=O)(NC[C@@H]1CCCO1)c1cncc(Br)c1 43532043 SWXJDKQZBNYZLM-VIFPVBQESA-N 321.196 1.301 0 40 DDAB NC(=O)c1cc(C[C@H]2CCCN(c3ccccn3)CC2)ncn1 257216012 CSRQJVLQJIUFRM-ZDUSSCGKSA-N 311.389 1.820 0 40 DDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cnn(C)c2)n1 257296763 REHQHTYICJLWKD-INIZCTEOSA-N 314.437 1.917 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 257220138 DJSDSCPVTJKISU-GFCCVEGCSA-N 323.422 1.095 0 40 DDAB O=C1C2=NCCC([N+](=O)[O-])([N+](=O)[O-])CCN=C2c2ccccc21 254393679 QJSJSKFWOPUCKV-UHFFFAOYSA-N 316.273 1.157 0 40 DDAB CCc1nccn1CC(=O)N1CC[C@H](c2nc(C)cn2C)C1 257302405 SCUVFEZVYTUTLD-ZDUSSCGKSA-N 301.394 1.504 0 40 DDAB Cc1n[nH]cc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 257206974 BFRWCRZUSFFWSS-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB CN1CCO[C@](Cc2ccccc2)(C(=O)NC2(C)CCC2)C1 257241463 HYCISYIPLKDBHN-SFHVURJKSA-N 302.418 1.989 0 40 DDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cnco2)n1 257319655 VTMLORPBCVJWAN-CQSZACIVSA-N 314.345 1.683 0 40 DDAB O=C(O)Cn1cnc(NC(=O)C2(c3cccc(F)c3)CC2)n1 647784510 XBBCKDXJMKPALI-UHFFFAOYSA-N 304.281 1.172 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)NCCc2ccn(C)n2)C12CCCC2 390834480 ZMXDYJWFQHYJFE-LSDHHAIUSA-N 320.437 2.000 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575404998 GEERIUVJIDFADO-ZDUSSCGKSA-N 308.422 1.566 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1cc(OC)no1)[C@H]2C 585096719 BBBGPZKDSXFDNH-VIFPVBQESA-N 321.337 1.028 0 40 DDAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)[C@H]1C[C@@H]1C)CC2 585111295 NFGDFFKVLXYAPV-AAEUAGOBSA-N 313.405 1.633 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1 65398732 VONRGPZTDWIEBN-CABCVRRESA-N 317.389 1.300 0 40 DDAB CCOC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 154047 WYIFKHGCWZIBLQ-UHFFFAOYSA-N 316.379 1.255 0 40 DDAB O=S(=O)(NCC1(c2ccsc2)CCOCC1)C1CC1 952986216 JESIKQIZMIWBJQ-UHFFFAOYSA-N 301.433 1.878 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1cnccn1 13226901 NAAMWUXCHFMPLZ-RISCZKNCSA-N 320.356 1.730 0 40 DDAB C[C@@]1(C(=O)NCCC(=O)O)CS[C@H]2c3ccccc3C(=O)N21 13691659 LHWYLFQJRUVDCM-ZFWWWQNUSA-N 320.370 1.237 0 40 DDAB CC(=O)NCC[C@H]1CCCCN1C(=O)Cc1c(C)noc1C 19745864 WLRDBFXZUPWUHF-CQSZACIVSA-N 307.394 1.741 0 40 DDAB O=C1CNC(=O)N1CCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 119017047 FFWCEXXBWZHEOQ-HZPDHXFCSA-N 315.417 1.929 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC[C@H](Oc2cnccn2)C1 225797274 IMGZVLCQXGDOBM-LBPRGKRZSA-N 311.407 1.592 0 40 DDAB Cn1cncc1CN1C[C@H](CN2CCOCC2)c2ccccc21 12147694 RZBBMYCIOXXMFM-HNNXBMFYSA-N 312.417 1.856 0 40 DDAB C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O 20223420 DGRVNRNXPFQHKO-ZETCQYMHSA-N 307.165 1.944 0 40 DDAB in-vitro CC[C@H](C)NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 6879245 QQJXFNBODNOMTH-SJCJKPOMSA-N 317.389 1.758 0 40 DDAB COc1ccc(C)cc1CN(C)C(=O)c1ccn(C)c(=O)c1 28443156 XBYOTTAYOMUVTR-UHFFFAOYSA-N 300.358 1.975 0 40 DDAB COc1cccc(N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)c1 29828484 DLAJSDNFZDZUPV-CYBMUJFWSA-N 315.377 1.197 0 40 DDAB Oc1cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc(O)n1 1776001857 OKFBDEXQICCSNH-OKILXGFUSA-N 312.373 1.456 0 40 DDAB O=C1CCCC[C@@H]1N(C(=O)CCn1cnnn1)c1ccccc1 4744690 DYADEULJJQOTOR-AWEZNQCLSA-N 313.361 1.608 0 40 DDAB CCOc1ccc(-c2noc(CNC(=O)[C@@H]3CCOC3)n2)cn1 225816658 JYZLVLLIZHRRJF-LLVKDONJSA-N 318.333 1.183 0 40 DDAB Cc1cc(C(=O)N2CCC(NC(=O)c3ccc(C)o3)CC2)no1 50473445 TWJRMCXVGDTMRN-UHFFFAOYSA-N 317.345 1.919 0 40 DDAB COC(=O)Cc1cc(=O)n2nc(C)c(-c3ccc(F)cc3)c2[nH]1 100651626 MWCDPNJNZITHHP-UHFFFAOYSA-N 315.304 1.853 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)n1nnc(-c2cccc(F)c2)n1 31735081 KVOGXMGAQWYYGI-ZDUSSCGKSA-N 315.283 1.693 0 40 DDAB CN1CCN(c2c(NCc3ccccc3Cl)c(=O)c2=O)CC1 101683704 VETYPUKBTAILBL-UHFFFAOYSA-N 319.792 1.300 0 40 DDAB COc1cc(NC(=O)OCC(F)(F)C(F)F)nc(OC)n1 32581179 UOZDCWGMEYIIBP-UHFFFAOYSA-N 313.207 1.943 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCN(c2ccncc2)CC1 8122003 FDXDEGACHDOLHU-UHFFFAOYSA-N 314.389 1.968 0 40 DDAB CC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O 1383287 UYSIQLKSSIWSEN-UHFFFAOYSA-N 300.101 1.430 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 41129619 FAAWLWFWWMFKMF-JTQLQIEISA-N 300.280 1.582 0 40 DDAB CN1CC[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)C1=O 78020866 YXNZOLJKXKPKNJ-AWEZNQCLSA-N 309.373 1.670 0 40 DDAB CCOC[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 78700141 ZTBJSBCJUYYSIP-OAHLLOKOSA-N 322.405 1.591 0 40 DDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc2c(c1)OCCO2 32836562 YFPMDUOGTYSVAW-JTQLQIEISA-N 317.345 1.243 0 40 DDAB NC(=O)NCc1ccc(C(=O)Nc2[nH]nc3c2CCCC3)cc1 79022871 IOICMHBBAHFFSP-UHFFFAOYSA-N 313.361 1.709 0 40 DDAB CCn1c(SCC(=O)NC2CC2)nc2ncccc2c1=O 32876474 JCIOZIIRFQWPGP-UHFFFAOYSA-N 304.375 1.182 0 40 DDAB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccco1 2492026 GCMJWSXAGLMMGK-JTQLQIEISA-N 319.264 1.213 0 40 DDAB COCc1nnc(S)n1-c1cnn(Cc2ccccc2)c1 2809438 WGJUZDFUFYCLOF-UHFFFAOYSA-N 301.375 1.947 0 40 DDAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 21607115 CAQXIPQDEFUUOJ-VDDIYKPWSA-N 310.350 1.473 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCc1ccco1 69922479 JANTUUYBEOAGHM-HZPDHXFCSA-N 319.405 1.371 0 40 DDAB CN1CC[C@H](C(=O)NC2CCN(c3ccccc3)CC2)CC1=O 53261528 WYWXDUNXSVANIX-AWEZNQCLSA-N 315.417 1.640 0 40 DDAB CCNC(=O)OC[C@H]1[C@@H]2CC[C@H](O2)[C@H]1COC(=O)NCC 104157200 KKXCYVUJIFZMFA-USZNOCQGSA-N 300.355 1.272 0 40 DDAB Cc1nc(O)c2c(n1)CCN(C(=O)C1[C@@H]3CCCC[C@@H]13)CC2 100213766 UIORQIOGVQUVPR-VXGBXAGGSA-N 301.390 1.854 0 40 DDAB COC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 9992084 WQXGMIPQPDKBKT-MRVPVSSYSA-N 300.742 1.438 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178697 IBQWOTZOEXJQQK-DZGCQCFKSA-N 316.401 1.758 0 40 DDAB O=C(NCCNC(=O)c1cccs1)c1nc(C2CC2)no1 21453677 CCEBMLKYMAVRFA-UHFFFAOYSA-N 306.347 1.168 0 40 DDAB NC1(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)CCC1 97019795 SHKGKDOGYBCNMO-UHFFFAOYSA-N 315.417 1.633 0 40 DDAB CN(Cc1nc2ccccc2s1)C[C@H](O)CN1CCOCC1 25233602 WHCWHHAWZXCPOQ-ZDUSSCGKSA-N 321.446 1.421 0 40 DDAB Cc1n[nH]c(SCC(=O)Nc2ccc(F)c(F)c2)nc1=O 3249051 XCDNKOGHWXANKV-UHFFFAOYSA-N 312.301 1.482 0 40 DDAB CCCCNC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3292060 QNZDHUYGKUXSGK-UHFFFAOYSA-N 319.434 1.976 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269128 MKMQUMQNQKRJIA-KGLIPLIRSA-N 307.394 1.217 0 40 DDAB COc1ccc(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cn1 57985488 HLAREIIPYCSAKR-SNVBAGLBSA-N 318.299 1.848 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(-n2cncn2)nc1 44696806 NJZISPFOALILLL-UHFFFAOYSA-N 321.340 1.778 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccnn1C 58064471 HABPNKGCGUCGMZ-UHFFFAOYSA-N 305.334 1.376 0 40 DDAB NC(=O)CCCNC(=O)Cc1ccc(OC(F)(F)F)cc1 48232943 SRCNPAKSGUNXKY-UHFFFAOYSA-N 304.268 1.509 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)CCO2 72282393 QRLRIKRBGDAYEV-TZMCWYRMSA-N 322.430 1.479 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc(C(C)C)cs1 44893502 XGFQZVHTWKBSLN-UHFFFAOYSA-N 322.390 1.523 0 40 DDAB COc1cccnc1NC(=O)c1ccc(Cn2cncn2)cc1 58203485 DCXVSXLZGHSGOW-UHFFFAOYSA-N 309.329 1.982 0 40 DDAB O=C([C@@H]1COc2ccccc2C1)N1CCC[C@H](n2cncn2)C1 72272186 SWHJWTRCZMLSGD-GJZGRUSLSA-N 312.373 1.693 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C2 72279064 ZMPDUAFGAVGGQT-BXUZGUMPSA-N 315.421 1.777 0 40 DDAB CC[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccncc1 175111546 BACVFBWPPMYIJQ-OLZOCXBDSA-N 300.366 1.438 0 40 DDAB COCCC(C)(C)CNC(=O)N[C@H]1CCc2nc(C)nn2C1 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Cn1cnnc1CCNC(=O)c1ccc(OCC2CC2)cc1 69737265 TVFCBZHPTVRYBJ-UHFFFAOYSA-N 300.362 1.576 0 40 DDAB O=S(=O)(N1CCOCC1)N(Cc1ccco1)C1CCCC1 65586132 HBEOAWNKBXXWJY-UHFFFAOYSA-N 314.407 1.601 0 40 DDAB CS(=O)(=O)NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 65564659 LPKLJQBLNJHQNH-INIZCTEOSA-N 324.446 1.973 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)c(=O)[nH]1 65549856 DZWZNYXQOLMHRL-UHFFFAOYSA-N 317.414 1.703 0 40 DDAB O[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1ccccc1 65514875 SQPWPERRICPUED-INIZCTEOSA-N 314.389 1.136 0 40 DDAB COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1F 6537642 WSAIQDIQKMNJMB-UHFFFAOYSA-N 307.277 1.901 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 66126856 NDNUJHKREGNLEH-NWDGAFQWSA-N 311.451 1.713 0 40 DDAB O=C1CN(C(=O)Nc2nc(Cc3ccccc3)cs2)CCN1 97107738 OQZOCBXQJUODFM-UHFFFAOYSA-N 316.386 1.698 0 40 DDAB C[C@@H]1OCC[C@H]1NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 97143164 PADBMAGZAXKWAO-OFQRWUPVSA-N 318.421 1.647 0 40 DDAB CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H](CO)C(C)(C)C 97112956 DTFPAPPDCMFQLD-CQSZACIVSA-N 302.378 1.746 0 40 DDAB O=C([C@H]1CCCN(CCCc2ccncc2)C1)N1CCOCC1 96012915 KLFSLJSHFURNBN-KRWDZBQOSA-N 317.433 1.585 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2ccc(Cl)nc2)CC1 96418683 CMFWUWYUTWAJBU-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cnn3cccnc23)n1 71870139 PDNBCMBGAOEYHY-CQSZACIVSA-N 324.388 1.847 0 40 DDAB COCc1nc(C(=O)N2CCC[C@H]2Cn2cccn2)cs1 71866691 YSCKCGYEWXTSBB-NSHDSACASA-N 306.391 1.791 0 40 DDAB O=C(NCc1ccccn1)c1ccc(CN2CCOCC2)cc1 19913208 OKWQWDPSXFCQGQ-UHFFFAOYSA-N 311.385 1.844 0 40 DDAB CNC(=O)NC(=O)CN1CCn2cccc2[C@H]1c1ccccc1 83881871 HDYZNBOYDBAGMD-MRXNPFEDSA-N 312.373 1.349 0 40 DDAB NC(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1 9834816 QAAGBWKLXHLRHG-UHFFFAOYSA-N 320.393 1.300 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n[nH]1 84111093 BQCRRRGUHMXFJD-NSHDSACASA-N 305.407 1.993 0 40 DDAB COC[C@@H](O)CNC(=O)Cc1ccc(Br)c(F)c1 95434142 BTAUURHHDMWJLW-VIFPVBQESA-N 320.158 1.254 0 40 DDAB Cc1cc(NS(=O)(=O)c2cc(Cl)cnc2N)nn1C 95437185 UZPWLBVJYZMTHA-UHFFFAOYSA-N 301.759 1.160 0 40 DDAB CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2C2CCC2)C1 95415755 RSCGGADUBIPNRE-ZIAGYGMSSA-N 308.426 1.764 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc2ccccc2o1 84936607 KPEWRGAQQCAAKG-GFCCVEGCSA-N 324.402 1.872 0 40 DDAB COC[C@@H](O)CNC(=O)Cc1ccc(Br)cc1C 95995267 GYSGETKPKLTMEI-LBPRGKRZSA-N 316.195 1.424 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)COC2CCCCC2)c1CC 89282538 MALHIUJEZGSZHP-UHFFFAOYSA-N 321.421 1.860 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCC4(CC3)OCCO4)nn2)n1 89595707 POLFWVFUNIJYIK-UHFFFAOYSA-N 315.377 1.622 0 40 DDAB Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)c(=O)[nH]1 75123996 IVMXSYRYWDJXHU-SJKOYZFVSA-N 305.422 1.924 0 40 DDAB O=C1NC[C@@H](C(=O)NCc2ccnc(OC3CCCCC3)c2)N1 89884790 LDZZPBNDISAOAI-ZDUSSCGKSA-N 318.377 1.091 0 40 DDAB C[C@@H](CNC(=O)Cn1ccc(=O)c2ccccc21)N1CCCC1 89900758 OSCHFFHMECFPDX-AWEZNQCLSA-N 313.401 1.602 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)nn1 75611190 NKPGDSWWWHOLOM-UHFFFAOYSA-N 311.750 1.786 0 40 DDAB CN1C(=O)N(CC(=O)NC2CCCCC2)c2cccnc2N1C 72335315 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312.410 1.929 0 40 DDAB Cc1cc(CN2CCO[C@H](CN(C)c3cccnn3)C2)on1 84124258 SWBOQXPPXSFWII-CQSZACIVSA-N 303.366 1.110 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2cccn2C)[C@@H](C)C1 72300633 SCKBPGFSUIXZSV-ZFWWWQNUSA-N 313.467 1.563 0 40 DDAB COc1ncnc2c1CN([C@H](C)C(=O)Nc1cc(C)no1)CC2 97201995 AHCROCVISIKYKD-SNVBAGLBSA-N 317.349 1.167 0 40 DDAB O=C(c1n[nH]c(O)n1)N1CCC(Cc2ccccc2F)CC1 95395292 UTTFTZVKODNYEA-UHFFFAOYSA-N 304.325 1.744 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ncnc3[nH]cnc13)CC2 95400845 LJGAECYPWFDGTN-GHMZBOCLSA-N 303.366 1.109 0 40 DDAB Cc1ccc(CCC(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)o1 85295397 MRDLCTHWDRIHRR-ZIAGYGMSSA-N 313.419 1.945 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ncccc1O 95946566 NKYLDGZDHJYTCU-UHFFFAOYSA-N 313.235 1.606 0 40 DDAB C[C@@H](SCCN1CCOCC1)c1nnnn1-c1ccccc1 95977055 IVMUGCLDUJIGHN-CYBMUJFWSA-N 319.434 1.789 0 40 DDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc2nnnn2c1 95965224 ZYNCXWWLOCLBMS-MRVPVSSYSA-N 313.283 1.927 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 88777124 ORWJPQRPYSJKOQ-OLZOCXBDSA-N 312.439 1.566 0 40 DDAB COC(=O)c1cncc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 89404384 HMBUBKIMRMENHK-UHFFFAOYSA-N 323.308 1.962 0 40 DDAB CC[C@@H]1NC(=O)N(Cc2cn(-c3ccc(Cl)cc3)nn2)C1=O 89948206 JUWCYXNBGBKEGW-LBPRGKRZSA-N 319.752 1.751 0 40 DDAB CC1CCN(CCCNC(=O)N[C@H](C)c2nncn2C)CC1 89929968 BZPDMNZMHHMIHW-CYBMUJFWSA-N 308.430 1.297 0 40 DDAB O=C(c1ccsc1Br)N1CC[C@H](CO)[C@@H](O)C1 556307194 PABFVNQMALWEMJ-APPZFPTMSA-N 320.208 1.326 0 40 DDAB CCn1nccc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nc(C)no2)C1 1550525954 CZQFKTZOMIITQI-BLLLJJGKSA-N 315.377 1.788 0 40 DDAB CCCn1cc(NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)cn1 1553073129 XRPMLXZSMIVZOK-AWEZNQCLSA-N 322.409 1.831 0 40 DDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccco1 71980143 USFWRRDWNGDNIN-NSHDSACASA-N 308.334 1.017 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccs1 72238144 ZVVFDKUQZOAMQR-SMDDNHRTSA-N 310.419 1.810 0 40 DDAB COc1ccc(CCn2c(NN)nc3ccccc3c2=O)cc1 408712885 YWMOKUKJVMDUSP-UHFFFAOYSA-N 310.357 1.933 0 40 DDAB C[C@@]1(C(=O)NCCc2nnc3ccccn23)CC1(Cl)Cl 32848618 JBBWTHZNMXRREQ-LBPRGKRZSA-N 313.188 1.972 0 40 DDAB Cc1cnc(CN2CCC[C@H](CNS(=O)(=O)C(C)C)C2)o1 72584873 BNXGWTFZFFIPSS-CYBMUJFWSA-N 315.439 1.523 0 40 DDAB Cc1cnn(CC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)c1 77615362 YXYKYNBPRGVVCN-INIZCTEOSA-N 317.389 1.829 0 40 DDAB COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 73203696 NKBXRJUNSMHHHK-CQDKDKBSSA-N 313.357 1.859 0 40 DDAB CCCc1nnc(NC(=O)N2CCC[C@@H](n3ccnn3)C2)s1 574448246 URHSXJSNGJDCRH-SNVBAGLBSA-N 321.410 1.951 0 40 DDAB CCOC(=O)CCC(=O)N(CC(F)(F)F)C1CCOCC1 75166609 UJJVCSQOCGNERQ-UHFFFAOYSA-N 311.300 1.900 0 40 DDAB O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2ccccc2c1 40166810 KQFBSAZAUGPTSN-ZIAGYGMSSA-N 302.355 1.535 0 40 DDAB O=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccn[nH]1 130366226 LHQFJPHCEPHVEM-NXEZZACHSA-N 304.316 1.850 0 40 DDAB COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222971829 FFGNMPWINQPMGB-LBPRGKRZSA-N 308.378 1.195 0 40 DDAB COc1cc(CN2C[C@@H]3CN(C)CCO[C@@H]3C2)cc(OC)c1 96219206 GWKILJGUVRNBQO-WMLDXEAASA-N 306.406 1.466 0 40 DDAB CCOC(=O)[C@H]1C[C@@H](C)[C@@](C(=O)OCC)(S(=O)(=O)CC)C1 96532502 AFRYOMGRENBVHP-SUNKGSAMSA-N 320.407 1.332 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96051940 MGSOSEMGQBJQTO-SJLPKXTDSA-N 322.424 1.995 0 40 DDAB CCN(Cc1ccoc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F 96483148 YWRXESSYERUUFZ-VIFPVBQESA-N 321.299 1.878 0 40 DDAB CNC(=O)c1cccc(CN2CCN(c3ccncc3)CC2)c1 96473733 WGKDYJJQNITSJT-UHFFFAOYSA-N 310.401 1.763 0 40 DDAB COCCCCS(=O)(=O)N1CCC[C@H](n2cccn2)C1 97097260 FWZDKCOOVAHSCU-ZDUSSCGKSA-N 301.412 1.276 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@H]1Cc1cccnc1 96200881 WTRUZKWKYAKLJX-CABCVRRESA-N 309.435 1.026 0 40 DDAB CC(=O)N1CCC2(C1)CN(S(=O)(=O)Cc1ccccc1)C2 96202630 UQGVLAYAIPJMOD-UHFFFAOYSA-N 308.403 1.071 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2cncs2)cc1 257233248 GOKVKPZULYUNCV-CYBMUJFWSA-N 303.387 1.938 0 40 DDAB CCCn1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)n1 257233170 GOCOQZBRQTUVAS-BPLDGKMQSA-N 306.410 1.011 0 40 DDAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](O)[C@H](N(C)C)C3)cc2c1C 257315528 VBVBYLRFNHGRPM-HZPDHXFCSA-N 301.390 1.532 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](Cc2cnc(NC)cn2)CC1 257268831 MNJYLSOWVLYQMC-LBPRGKRZSA-N 312.439 1.513 0 40 DDAB CC1CCN(CC(=O)N2CCO[C@@H](c3ccncc3)C2)CC1 257335347 YJTVLCWPCRSRIA-MRXNPFEDSA-N 303.406 1.713 0 40 DDAB CC1(C)[C@@H]2C[C@@H]3Oc4ccc(C(=O)O)c(O)c4[C@@H](O)[C@]3(O)[C@H]1C2 257239154 HODNMYBLLKMDAK-YHWRVRCPSA-N 320.341 1.682 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1 257299733 RRHSYWYCPHRZSV-LBPRGKRZSA-N 304.375 1.764 0 40 DDAB Cc1ncoc1C(=O)N1[C@@H](CN)C[C@@]2(C)[C@H](O)CCCC[C@@H]12 257207045 BGCOUNVFYUOOPL-BRXULGCHSA-N 307.394 1.466 0 40 DDAB Cc1nc(-c2cc[nH]n2)cc(C2CCN(S(C)(=O)=O)CC2)n1 257221921 DRDVKJWGPSMQGW-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB COc1ncc(NS(=O)(=O)c2cccs2)c(OC)n1 96098728 YFPHQWVFQKMTRT-UHFFFAOYSA-N 301.349 1.356 0 40 DDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@H]12)c1ccco1 575404483 MYQBOPUZVDQTEX-GZBFAFLISA-N 318.373 1.283 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575403974 JXFDUUKBQQIIDY-CQSZACIVSA-N 301.346 1.319 0 40 DDAB COC[C@@H]1CCn2nccc2CN1C(=O)C1CCSCC1 585097812 QQTMHMPUNGPHFE-AWEZNQCLSA-N 309.435 1.774 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H]1OC 585276717 HOWXGIRMGMZMES-PQAPVRDISA-N 302.374 1.309 0 40 DDAB Cc1c(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)cnn1C 585292173 FOSFUQZNSOWWJU-BRWVUGGUSA-N 301.390 1.050 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(c2ccccn2)C1)C1CC1 55720116 CZCOXXXJJMZJIT-HOTGVXAUSA-N 316.449 1.754 0 40 DDAB O=C(O)C1CC(NS(=O)(=O)CCc2ccccc2F)C1 871637994 SPZIPJXGUQXQMV-UHFFFAOYSA-N 301.339 1.151 0 40 DDAB CCCC(=O)N1CCC(OC(=O)c2c(C)nn(C)c2OC)CC1 95395846 YMDRAKBJLHCFHJ-UHFFFAOYSA-N 323.393 1.685 0 40 DDAB Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccc(C)n3)CCO2)c1 97378657 LPIVXJVTTWHPBE-AWEZNQCLSA-N 315.377 1.828 0 40 DDAB COC[C@]1(C(=O)O)CCN(c2cc(C(C)C)nc3ncnn23)C1 518192338 DZDRJNHODMIXAE-HNNXBMFYSA-N 319.365 1.175 0 40 DDAB Cc1cc(CN2CCN(c3cc(N(C)C)ncn3)CC2)no1 891581144 XDMLNFCYIICUKF-UHFFFAOYSA-N 302.382 1.161 0 40 DDAB O=C1CCCN1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12144778 WCKFWESJFFEHAU-CQSZACIVSA-N 312.373 1.849 0 40 DDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)no2)cc1 13596967 KBSFUJXJPQREOV-UHFFFAOYSA-N 308.359 1.958 0 40 DDAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)O)CC(=O)N3)cc1 19961305 ATKDCCVKKIFJMX-SECBINFHSA-N 314.301 1.332 0 40 DDAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3nnc(C)o3)cc2)C1 206767745 GXAUOLXOGIVIIU-CQSZACIVSA-N 316.361 1.533 0 40 DDAB CC(C)(C)NC[C@H](O)COc1cccc2c1CCN(C=O)C2 5352932 GMJHUSJLZXFFQJ-AWEZNQCLSA-N 306.406 1.329 0 40 DDAB in-man CCc1c(C)nc(C)nc1N1CCN(Cc2nnc(C)o2)CC1 1888860248 FOSWBUQHKFMLAA-UHFFFAOYSA-N 316.409 1.669 0 40 DDAB COc1ccc(Cn2nc3c(-n4ccnc4)nccn3c2=O)cc1 1888921688 DJBIHFKBHARNDA-UHFFFAOYSA-N 322.328 1.134 0 40 DDAB Cc1occc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24679116 BNMIXWGGPXBCMA-LLVKDONJSA-N 300.380 1.132 0 40 DDAB COC(=O)CNC(=O)CSc1nc2ccccc2nc1C 28190956 WVYJYSFZDXOCTK-UHFFFAOYSA-N 305.359 1.320 0 40 DDAB CN(C(=O)c1cc(Br)c[nH]1)[C@@H]1CCS(=O)(=O)C1 35180172 YBLLBRHJFXGMNJ-MRVPVSSYSA-N 321.196 1.036 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)CCC(F)(F)F 238898109 RFQVJLUDCPUNBJ-SECBINFHSA-N 314.333 1.175 0 40 DDAB O=c1c(=O)n(-c2ccc3c(c2)OCO3)ccn1CC1CCC1 2087045435 VAPXMVKNAHIWLZ-UHFFFAOYSA-N 300.314 1.528 0 40 DDAB Cc1cc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)no1 201421 RAGSAQFNBQGCRD-UHFFFAOYSA-N 319.342 1.877 0 40 DDAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)NC1CCCC1 5350500 XWJHCDDYOWQZDI-ZDUSSCGKSA-N 310.394 1.237 0 40 DDAB O=C(NCc1ccco1)c1ccc(=O)n(Cc2ccccc2)n1 11781212 DCULHMGTSGLBLA-UHFFFAOYSA-N 309.325 1.815 0 40 DDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1cocn1 2055734568 KGXYFVSJYNCDMB-LLVKDONJSA-N 316.361 1.546 0 40 DDAB COc1c(/C=C/C(=O)O)c(CCN(C)C(C)=O)cc2c1OCO2 2096612 KMRVVQUINPTIPM-SNAWJCMRSA-N 321.329 1.543 0 40 DDAB biogenic CNC(=O)c1ccc(=O)n(Cc2cccc(OC(F)F)c2)c1 50248418 SBVLSYCNIYLGJX-UHFFFAOYSA-N 308.284 1.858 0 40 DDAB COc1ncccc1CNC(=O)c1csc(NC(C)=O)n1 30836546 MOXSEADKMATSJF-UHFFFAOYSA-N 306.347 1.435 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)Nc3cn[nH]c3)CC2=O)c(F)c1 40512194 RYFQGWWFLRDQLO-JTQLQIEISA-N 302.309 1.849 0 40 DDAB CCOC(=O)Cn1c(=O)c2ccccc2n(-c2ccccc2)c1=O 73955 NBXYDJWUWDPVQI-UHFFFAOYSA-N 324.336 1.716 0 40 DDAB CC1(C)[C@@H](OC(=O)CCn2ccccc2=O)[C@@H]2CCCO[C@H]21 76090215 JGAWPSXBDNXICU-WQVCFCJDSA-N 305.374 1.985 0 40 DDAB CONC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32795808 VCLPLGXYJOXTGM-MRVPVSSYSA-N 313.151 1.480 0 40 DDAB O=c1[nH]ncc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c1Cl 76091789 LCTRJMRJJZYKRO-UHFFFAOYSA-N 320.715 1.960 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ncoc3CC)CCO2)n1 76046106 NMNLUOIYSOKGKR-LLVKDONJSA-N 319.365 1.521 0 40 DDAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1cccs1 79018475 JUQFUIOJJNILSX-FZMZJTMJSA-N 310.419 1.655 0 40 DDAB Cn1ncc(NCC2CCC3(CC2)OCCO3)c(Cl)c1=O 79017225 CMTMCHBZNKIOOE-UHFFFAOYSA-N 313.785 1.779 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 41128800 WNEVVGXNUWRHFS-CQSZACIVSA-N 312.373 1.139 0 40 DDAB CN(C)C(=O)c1n[nH]c2ccc(I)cc12 79451930 POLFBUPWJVBAJQ-UHFFFAOYSA-N 315.114 1.869 0 40 DDAB COc1ccc(C2=N/C(=C\c3cnn(C)c3)C(=O)O2)cc1OC 21781910 XNELCXYQEQCGIC-SDQBBNPISA-N 313.313 1.782 0 40 DDAB CCOC(=O)[C@H](C)n1c(-c2nonc2N)nc2ccccc21 6564664 JAPIMSZHJRVOIT-QMMMGPOBSA-N 301.306 1.793 0 40 DDAB O=C(CN(C[C@@H]1CCOC1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 52774836 MSMIHRWPHWXERA-BHYGNILZSA-N 322.449 1.657 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 101512920 GZIZQJIGTHWOFL-UKJIMTQDSA-N 305.286 1.232 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1 53062332 LMYJGJCSUZDGMM-NSHDSACASA-N 305.765 1.629 0 40 DDAB Cn1cc(C(=O)N2CCN(CC(C)(C)O)CC2)c2ccccc21 69928285 VDBYUBSTGQFVRY-UHFFFAOYSA-N 315.417 1.707 0 40 DDAB CC(C)N(C)CC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 69979120 QAYRJWSKPDCHOL-ZDUSSCGKSA-N 311.376 2.000 0 40 DDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ccccc2)CC1 61718542 RSMPLKWVFCXLMA-UHFFFAOYSA-N 323.396 1.826 0 40 DDAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCCO 53883002 HEVXWEXOURNDMS-JTQLQIEISA-N 301.751 1.678 0 40 DDAB CCN(CC)CCNC(=O)c1cncc(Br)c1 42200171 TXGQQVURBKERGV-UHFFFAOYSA-N 300.200 1.916 0 40 DDAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O 3247831 VNWSDFVINNWRCO-UHFFFAOYSA-N 300.314 1.190 0 40 DDAB Cn1cc(CCC(=O)N2CCN(Cc3cccnc3)CC2)cn1 54833550 CSPZOXZKDPKXAA-UHFFFAOYSA-N 313.405 1.092 0 40 DDAB O=C(C1CCC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178555 FLCCGPBMNWOYTE-UHFFFAOYSA-N 316.401 1.902 0 40 DDAB Nc1ncccc1C(=O)OCC(=O)NCc1cccc(Cl)c1 24601677 QACPDQYIKFFOBP-UHFFFAOYSA-N 319.748 1.790 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102232881 QKFVFXPSQXCSJY-YIKMNZTOSA-N 308.359 1.532 0 40 DDAB Cc1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 25467820 ZPVLMTZRGJRWJG-LLVKDONJSA-N 319.386 1.528 0 40 DDAB CCN(C(C)=O)c1nc(CN2CCC[C@@H](NC(C)=O)C2)cs1 48278469 ZRPGWABZFSFBQO-CYBMUJFWSA-N 324.450 1.616 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)COCC(F)(F)F)cc12 48236217 NUCZUGCYQQLFKZ-UHFFFAOYSA-N 302.256 1.794 0 40 DDAB COc1cccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1O 48263277 LMBZTXNJUGPHFQ-CQSZACIVSA-N 301.298 1.784 0 40 DDAB Cn1cccc1C(=O)OCC(=O)NC(=O)c1ccc(Cl)cc1 3311210 ZZJDWTXHSHIFKR-UHFFFAOYSA-N 320.732 1.792 0 40 DDAB CC(=O)N1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 44893622 XROPUKNIOBXAIA-UHFFFAOYSA-N 320.776 1.807 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1ccccc1Cl 58367357 MGNYLZDNPLXPTR-RYUDHWBXSA-N 324.808 1.969 0 40 DDAB C[C@@H]1CCCN(C(=O)Cc2csc(N3CCNC3=O)n2)CC1 58431965 UYQPNHXTROPQNB-LLVKDONJSA-N 322.434 1.864 0 40 DDAB CCc1nnnn1Cc1cccc(C(=O)NCc2ccco2)c1 58440501 SQMDQYHHJUZJAE-UHFFFAOYSA-N 311.345 1.807 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N1CCC(CN2CCCC2)CC1 69508973 QXDITYSGOXYZMT-AWEZNQCLSA-N 317.437 1.611 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)N2CCCCC2)n1 69534737 UYGVUJJVAUCSPP-INIZCTEOSA-N 319.453 1.762 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(Cc2nnc(C3CC3)o2)CC1 69624341 RAHAKEVMJIMTSN-CYBMUJFWSA-N 308.426 1.472 0 40 DDAB c1cc(CN2CCO[C@H](Cn3cccn3)C2)c2c(c1)OCCO2 69600880 PXFABGXLXZHJGW-HNNXBMFYSA-N 315.373 1.555 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(C)C)c1C 8537860 LXJNXKGMUACUMA-LLVKDONJSA-N 324.377 1.878 0 40 DDAB CCCn1c(CN2CCN3C(=O)NC[C@H]3C2)nc2ccccc21 91864461 PITKGENNFBGIAA-ZDUSSCGKSA-N 313.405 1.656 0 40 DDAB O=C(COc1cccnc1)N1CCCC[C@H]1Cn1cccn1 69779510 JCLRMSJIVDPSBP-AWEZNQCLSA-N 300.362 1.738 0 40 DDAB CN1[C@@H](Cc2cccc(O)c2)[C@@H](O)c2ccccc2S1(=O)=O 13726651 ARZSZHLRBARGTK-HOCLYGCPSA-N 319.382 1.671 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385125 LOGOKVFPALKRHT-SMDDNHRTSA-N 322.792 1.988 0 40 DDAB Cn1ncc2c(NCc3ccccc3)nc(NCCCO)nc21 4374936 NFLNSLVNNJNFBD-UHFFFAOYSA-N 312.377 1.770 0 40 DDAB Cc1ccccc1CSc1nnc(CCC(=O)O)c(=O)[nH]1 4317181 FGOKBLSMYJYHMF-UHFFFAOYSA-N 305.359 1.783 0 40 DDAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2nncn2C)C1 65452277 OLFGTNCIJGUYMP-GFCCVEGCSA-N 315.377 1.629 0 40 DDAB C[C@H]1CN(CCS(=O)(=O)Oc2ccccc2)CC(C)(C)O1 65427082 QHBOPMDNHVURQJ-ZDUSSCGKSA-N 313.419 1.895 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O 8733938 XYYZGLOMAJWQRB-GFCCVEGCSA-N 305.334 1.354 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCO3)CC2 65541690 PYUIBNFHPFPPCR-LLVKDONJSA-N 300.318 1.060 0 40 DDAB Cc1cc(N2CCN(C[C@H](O)c3ccccc3)CC2)nc(N)n1 69842852 NHSRWMLIEPFZKI-HNNXBMFYSA-N 313.405 1.223 0 40 DDAB CN(Cc1ccccc1Br)c1ccc2nnnn2n1 14139345 YGOZROVENAUGSQ-UHFFFAOYSA-N 319.166 1.918 0 40 DDAB O=C(CC[C@H]1CCCO1)N1CCCN(c2cccnn2)CC1 69816110 NBOSRQPQSLGUED-CQSZACIVSA-N 304.394 1.475 0 40 DDAB CN(C)CCNC(=O)COc1ccc(F)cc1Br 14240652 VQGTXAVAPRQJBY-UHFFFAOYSA-N 319.174 1.645 0 40 DDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC(F)(F)F 67201337 GTSHQCCFSSDMAR-LLVKDONJSA-N 302.296 1.755 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 72269062 MGBRHVWXXDVHRZ-IAGOWNOFSA-N 302.418 1.595 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1 15254591 PLZQSARLABPFQQ-HZSPNIEDSA-N 308.397 1.982 0 40 DDAB COC(=O)C1(NC(=O)Cn2ncc(Cl)c2C)CCCCC1 92919584 MGEPVPRFZWGFQA-UHFFFAOYSA-N 313.785 1.837 0 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CCOc1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1OC 95403629 CAGVPOIRQBBWRR-LBPRGKRZSA-N 323.345 1.410 0 40 DDAB CC(C)[C@H](O)C(C)(C)CNC(=O)NC[C@@H]1CCN(C2CC2)C1 95436857 JKAJYMXVSXEPAW-ZFWWWQNUSA-N 311.470 1.813 0 40 DDAB Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CCN(C)C(=O)C2)o1 95954485 ZFHPNWNJYLIPLQ-CQSZACIVSA-N 321.421 1.347 0 40 DDAB CC(C)COC[C@H](C)NC(=O)N1CCC2(CC1)OC[C@H](C)O2 95960681 SKQXTTSSPWYBPV-KBPBESRZSA-N 314.426 1.985 0 40 DDAB Cn1cc(N2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)cn1 74798728 UBSXHURTGJGEKA-MRXNPFEDSA-N 322.359 1.554 0 40 DDAB Cc1nc(NC(=O)[C@@H]2CNC(=O)N2)sc1-c1ccccc1 89562604 YMMALZRCENVUSW-JTQLQIEISA-N 302.359 1.738 0 40 DDAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)c(=O)[nH]1 75118418 DWAYTOBWDZVVKH-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCN(C(C)(C)C)CC2)c(=O)[nH]1 75121039 VJLHYDGSYIPPQW-UHFFFAOYSA-N 320.437 1.617 0 40 DDAB COC(=O)CN1CCCN(C(=O)Nc2nc(C)cs2)CC1 75107514 ITECKNLARXWPLY-UHFFFAOYSA-N 312.395 1.164 0 40 DDAB OCCC1(NCc2ccc(-n3cccn3)cc2)CCOCC1 89885054 SEYYHWLWRUBIRE-UHFFFAOYSA-N 301.390 1.894 0 40 DDAB CC(C)CN1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 89840192 XIZZEFQRKMIGJD-UHFFFAOYSA-N 300.410 1.780 0 40 DDAB CC(=O)N1CC[C@H](CN(C)C(=O)Cc2ccc(O)cc2C)C1 1548675445 LADTUBWMOUXQJJ-CQSZACIVSA-N 304.390 1.570 0 40 DDAB COc1ccc(OCCN(C)C(=O)C2=NN(C)C(=O)CC2)cc1 23648632 ZPWKUJGVPWWNFX-UHFFFAOYSA-N 319.361 1.141 0 40 DDAB COc1cc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)nn1C 547490161 GGVXZHXHLBAEND-NSHDSACASA-N 322.315 1.924 0 40 DDAB Cc1nc2ccccc2nc1SCC(=O)N1CCN(C)CC1 35111610 UHRSMTXTTYGFJW-UHFFFAOYSA-N 316.430 1.804 0 40 DDAB CC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 32105288 MALDCLSQVJDSJK-HNNXBMFYSA-N 319.336 1.597 0 40 DDAB Cc1sc2c([C@@H]3CCCN(CC(N)=O)C3)nc(C)n2c1C 72367840 SKLILZXZGYSVCE-GFCCVEGCSA-N 306.435 1.986 0 40 DDAB O=C(OCc1ccccc1)N1CC[C@H](N(CCO)C2CC2)C1 79391735 MPLZXPFHZSHZDQ-INIZCTEOSA-N 304.390 1.854 0 40 DDAB CCS(=O)(=O)C1(C(=O)O)CCN(Cc2ccccc2)CC1 217928739 NGFCDGYZZBXZSO-UHFFFAOYSA-N 311.403 1.541 0 40 DDAB CC1(C)OCC2(CO1)CN(C(=O)Cc1noc3ccccc13)C2 70971365 IROGHDNKVRQXCK-UHFFFAOYSA-N 316.357 1.982 0 40 DDAB Cc1ccc2c(c1)OCCN2S(=O)(=O)CCN1CCCC1 189436646 VDRUQOKXSSUKGV-UHFFFAOYSA-N 310.419 1.619 0 40 DDAB CC(C)[C@H](N)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79391384 KKVMIKVNLQKLPX-STQMWFEESA-N 313.442 1.733 0 40 DDAB C[C@H]1Oc2ccc(S(=O)(=O)NC3CCCC3)cc2NC1=O 71542763 SISFDBMTUCBZTO-SECBINFHSA-N 310.375 1.627 0 40 DDAB CCc1nc(N)n(CC(=O)Nc2cc(C)ccc2C)c(=O)c1C 49410976 CRDVDZZCDLEXIR-UHFFFAOYSA-N 314.389 1.952 0 40 DDAB CC(C)S(=O)(=O)NC1=NCN([C@@H]2CCCC[C@@H]2C)CN1 40387319 FOYZJORBDLKDIG-NWDGAFQWSA-N 302.444 1.069 0 40 DDAB CCc1nccn1-c1cccc([C@H]2CCCN(CC(N)=O)C2)n1 72355715 CSWMKTPDABNCND-ZDUSSCGKSA-N 313.405 1.494 0 40 DDAB O=C(COCc1ccccc1)N1CC[C@@H](Oc2cccnn2)C1 225416399 SKOGZYFNTORKQY-OAHLLOKOSA-N 313.357 1.673 0 40 DDAB Cc1ccc(CN2CC[C@H](NS(=O)(=O)C3CC3)C2=O)cc1 190602353 FJFDNYWOEQNLMH-AWEZNQCLSA-N 308.403 1.178 0 40 DDAB COc1cccc([C@H](O)CN2CCC[C@@H](NC(=O)C(C)C)C2)c1 195530341 DLLBTSLQBYHHAW-NVXWUHKLSA-N 320.433 1.965 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)c1c(O)cccc1F 131635396 YQLGKLHLLXMOHO-UHFFFAOYSA-N 304.325 1.660 0 40 DDAB COC(=O)C1CCN(C(=O)COc2cccc(OC)c2)CC1 44508861 MOTMFAZUEBYSDT-UHFFFAOYSA-N 307.346 1.486 0 40 DDAB CN1CCC[C@@H](C(=O)NCCCN2CCc3ccccc32)C1 81247191 IJMBSERMLXLIGO-MRXNPFEDSA-N 301.434 1.897 0 40 DDAB CS(=O)(=O)N[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 96185866 SHNMRPDYXLBKJF-JHJVBQTASA-N 316.448 1.029 0 40 DDAB O=C(c1ccco1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 96188622 DDIKIZNGDJDASG-LBPRGKRZSA-N 312.333 1.040 0 40 DDAB C[C@@H](CNC(=O)NC[C@](C)(O)c1cnn(C)c1)c1cccs1 96421627 OEXBIEDQKLUBNY-NHYWBVRUSA-N 322.434 1.792 0 40 DDAB O=C1CCC(=O)N1CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 96483703 VAJUFYZTTYSITI-SMDDNHRTSA-N 324.327 1.222 0 40 DDAB CC(C)N(C)[C@@H]1CCN(C2CCOCC2)[C@H]1Cc1cnn(C)c1 96200945 LLGGWOKMZORWMM-MSOLQXFVSA-N 320.481 1.925 0 40 DDAB O=C(CC1CC1)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1ccncc1 96186404 LCHHPPJTRJULIY-HOTGVXAUSA-N 313.401 1.974 0 40 DDAB O=C(CN1CCO[C@@H](c2nccs2)C1)NCc1cccs1 97203917 BQQNWNQXBINFDP-GFCCVEGCSA-N 323.443 1.894 0 40 DDAB NC(=O)N1CCCN(CC(=O)NC2CCCCCCC2)CC1 96405602 NCAVWCQMODTGQM-UHFFFAOYSA-N 310.442 1.302 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1cscn1)OCC2 96044303 SDWGFYXLHJVINU-GFCCVEGCSA-N 322.390 1.030 0 40 DDAB CC(=O)N[C@@H]1CCN(S(=O)(=O)CCC2CCCCC2)C1 333493096 GWXJUMBZLWFKPE-CQSZACIVSA-N 302.440 1.497 0 40 DDAB C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N1CCN(C)CC1 96403437 JNBXILVBKVEPAS-NSHDSACASA-N 313.804 1.845 0 40 DDAB COc1ncc(Cl)c(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 95426298 WGHLYYXQQVUWNM-JTQLQIEISA-N 307.785 1.941 0 40 DDAB CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2 96255853 KATXEZPRZIGJFE-UHFFFAOYSA-N 301.394 1.777 0 40 DDAB CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cn(C(C)C)cn1 97097294 KRPWIURSZNIXHU-LBPRGKRZSA-N 313.423 1.986 0 40 DDAB O=C1COC2(CCN(CC3CC3)CC2)CN1Cc1ccccn1 96049222 JZVZOJDMLZWVDA-UHFFFAOYSA-N 315.417 1.685 0 40 DDAB CCCn1nc(C)c(NC(=O)COc2c[nH]c(C)cc2=O)c1C 95472692 RMKONIYNUAWEFB-UHFFFAOYSA-N 318.377 1.924 0 40 DDAB O=C(CN[C@@H](c1cc(F)ccc1F)C1CC1)N1CCOCC1 96493183 DASJUANOGRQALR-MRXNPFEDSA-N 310.344 1.864 0 40 DDAB Cn1nnnc1COc1cccc(C(=O)NCc2cccnc2)c1 96101344 YXIRNTUDSQBWSQ-UHFFFAOYSA-N 324.344 1.114 0 40 DDAB C[C@H](c1cccnc1)N1CCN(CCN2CCOC2=O)CC1 96424317 AUUDWUKMIYPDLW-CQSZACIVSA-N 304.394 1.212 0 40 DDAB CC(C)Nc1ncnc2c1CCN(C(=O)c1ccno1)CC2 96084037 YQEXIVXFTXDOSK-UHFFFAOYSA-N 301.350 1.526 0 40 DDAB C[C@@H]1c2ccsc2CCN1c1ncc(S(N)(=O)=O)s1 96453266 PZUSLLCXKMQGGP-SSDOTTSWSA-N 315.445 1.976 0 40 DDAB COc1ccc(CN2C[C@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)cc1 96054258 VYEMKZVKASWAQJ-IAGOWNOFSA-N 316.401 1.517 0 40 DDAB CN1C(=O)CO[C@@H]2CCN(CC3=Cc4ccccc4OC3)C[C@@H]21 257231047 GEZIKVOLFKHBBS-DOTOQJQBSA-N 314.385 1.394 0 40 DDAB CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2cncs2)s1 257334387 YFRGCDFOLYCTIS-MRVPVSSYSA-N 322.415 1.937 0 40 DDAB O=C(CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1)N1CCCC1 257202227 AKZSVIRXWORTNV-AWEZNQCLSA-N 313.405 1.760 0 40 DDAB Oc1cc(CC[C@@H]2CN(Cc3ccccn3)CCO2)ncn1 257276171 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Cc1noc(C)c1CCC(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522144 SJAOMTRQIZWLKM-OAHLLOKOSA-N 321.421 1.547 0 40 DDAB O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1cnccn1 72364436 ZDJDAYSBEPGMED-AWEZNQCLSA-N 304.375 1.788 0 40 DDAB CN1CCN(C(=O)c2ccc(=O)n(C)c2)c2cc(F)ccc21 96431622 RREAOLVLHSGEBC-UHFFFAOYSA-N 301.321 1.621 0 40 DDAB CCn1c(N2CCC(C(=O)NCCO)CC2)nc2ccccc21 12221312 VMUWHDPZQNENGT-UHFFFAOYSA-N 316.405 1.381 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)[C@@H]1COc2ccccc2O1 19456347 CWZZMZORRVPXPH-DOMZBBRYSA-N 307.346 1.090 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2c(C)noc2C)C1 225808559 FLMHSNPJPFTDHO-NSHDSACASA-N 318.333 1.384 0 40 DDAB CN(C(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1 10811922 ORWXXWNOPQEKML-UHFFFAOYSA-N 315.358 1.154 0 40 DDAB O=C([C@@H]1CCCN(Cc2ccccn2)C1)N1CCSCC1 1889099112 PXWWXNFDRIOPEA-CQSZACIVSA-N 305.447 1.869 0 40 DDAB CCc1cccc(CC)c1NC(=O)CN1CCN(C(C)=O)CC1 34858944 KTRNRSQUGMCRBY-UHFFFAOYSA-N 317.433 1.914 0 40 DDAB O=C1NCCC[C@H]2[C@H]1C[C@@H](c1ccc(F)cc1)N2C1COC1 2037976981 XDALQZBTFRNIPI-PMPSAXMXSA-N 304.365 1.866 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(Cc3ccc(Cl)cn3)C[C@@H]21 2037983732 DJCJKIAJNYPYSQ-FZMZJTMJSA-N 309.797 1.414 0 40 DDAB O=C(c1csnn1)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1017773263 FHTZBAOFKXKIQP-STQMWFEESA-N 315.402 1.422 0 40 DDAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3csnn3)C[C@H]21 1565545200 XBARVYDIQBIPLO-ONGXEEELSA-N 315.402 1.863 0 40 DDAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1565545210 BKNQHINKHHOJTP-RDJZCZTQSA-N 322.380 1.950 0 40 DDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1ccccc1F 10186439 NFDJQZZWDFGLMH-CQSZACIVSA-N 317.320 1.792 0 40 DDAB COc1ccccc1[C@H](CNC(=O)c1ccc(O)nn1)N(C)C 40459805 KZQIRWPMRAWKLW-ZDUSSCGKSA-N 316.361 1.224 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)COc1ccc(F)cc1 40496402 GHFDSJJCSSFHHW-NSHDSACASA-N 320.276 1.675 0 40 DDAB Cc1ccc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)cn1 40535339 ATGWAAHBECFJPO-UHFFFAOYSA-N 313.423 1.180 0 40 DDAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)s1 31604354 IZBXVZFUYCFWHO-LLVKDONJSA-N 316.386 1.834 0 40 DDAB Cc1cccn2c(=O)cc(CN3C(=O)c4ccccc4C3=O)nc12 31677306 MBWDVCRVLMPTQK-UHFFFAOYSA-N 319.320 1.799 0 40 DDAB CS(=O)(=O)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 40543955 WRZFOLRYEWVHQN-UHFFFAOYSA-N 312.322 1.489 0 40 DDAB CCc1nc(C)c(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)s1 76052990 DDEWXIVMDLGYQL-AAEUAGOBSA-N 323.462 1.807 0 40 DDAB CN(C)c1cccc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 76467960 TUQROAJCIOAENE-HNNXBMFYSA-N 317.433 1.547 0 40 DDAB NC(=O)c1cccc(NC(=O)Cc2cn3ccsc3n2)n1 78877163 LWZSEOKAMFVJRZ-UHFFFAOYSA-N 301.331 1.071 0 40 DDAB CCC(=O)N1CC[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 79110887 OKCHWEDJOXPYPA-GOEBONIOSA-N 316.401 1.818 0 40 DDAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCc2ccccc21 3337639 SISREPMWTDIKQG-UHFFFAOYSA-N 321.340 1.630 0 40 DDAB COCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984132 YUQOCJMFERUWNS-BENRWUELSA-N 303.318 1.141 0 40 DDAB COc1ccccc1N1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 7357839 MWDBOJHPNVJYQQ-HNNXBMFYSA-N 319.449 1.978 0 40 DDAB Cc1cccc(N2N=C(C(=O)NC[C@H]3CCOC3)CCC2=O)c1 41379132 KVYLULZFEDXDMJ-CYBMUJFWSA-N 315.373 1.631 0 40 DDAB CCN(C)C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 12359853 VZJPMPZDOXLVEQ-UHFFFAOYSA-N 300.399 1.881 0 40 DDAB COC(=O)CNC(=O)NC12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100846275 DOTDFHAVNYPCSI-UZXYAUHMSA-N 300.786 1.789 0 40 DDAB COCCNC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 69708355 RGNJLAKJDBRIGQ-UHFFFAOYSA-N 319.405 1.038 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n(C)n1 41829545 XFKIRJHUPZIDOO-NSHDSACASA-N 302.334 1.309 0 40 DDAB O=S(=O)(c1ccccc1F)N1CC[C@](O)(C(F)(F)F)C1 97020709 SRUHUEMLPRROMT-SNVBAGLBSA-N 313.272 1.514 0 40 DDAB Cc1nnc(NC(=O)CN2CCN(c3nccs3)CC2)s1 22982395 ZOMZRQGMKYBCOS-UHFFFAOYSA-N 324.435 1.064 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2O)c1 58159860 GYNXFJULNVIQLM-CHWSQXEVSA-N 316.365 1.302 0 40 DDAB COc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)c(OC)c1 106380255 WHZHZIPJKSNPDB-MRXNPFEDSA-N 306.406 1.657 0 40 DDAB O=C(O)[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 37793290 WUTZSCPHVZKDEV-YUMQZZPRSA-N 304.224 1.682 0 40 DDAB CCN(CCCNC(=O)Nc1ccccc1C)S(C)(=O)=O 56528493 MVFLQGGYCTXOOM-UHFFFAOYSA-N 313.423 1.788 0 40 DDAB CSc1ncc(C(=O)Nc2ccc3c(c2)OCO3)c(N)n1 57351991 MPEFBEZCDCOJAD-UHFFFAOYSA-N 304.331 1.762 0 40 DDAB O[C@H](COc1ccccc1)CN1CCN(C[C@@H]2CCCO2)CC1 57942180 BSHCOVGEPUWMGI-WMZOPIPTSA-N 320.433 1.223 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355074 YEJDPGWPABRXOA-CZUORRHYSA-N 322.380 1.888 0 40 DDAB C[C@@H](CNC(=O)N(CCO)C1CC1)N1CCc2sccc2C1 44971292 DEOGZTJQIHDSKO-LBPRGKRZSA-N 323.462 1.661 0 40 DDAB C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)N(C)C)n1cncn1 44910896 CGUGUUNFZOAFNG-SMDDNHRTSA-N 321.812 1.912 0 40 DDAB C[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)CCO1 44968685 IYSDIUVDKSHAEG-ZDUSSCGKSA-N 315.377 1.257 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H]1Cc2ccccc2O1 58392624 QAOJSLHNXIZMHA-CQSZACIVSA-N 300.406 1.888 0 40 DDAB O=C(CNS(=O)(=O)c1cccc(F)c1)NC1CCCC1 45973576 NVBYLUQFXRXCBX-UHFFFAOYSA-N 300.355 1.163 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F 48333841 DEZMAVSHULHQGD-QMTHXVAHSA-N 324.331 1.583 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 12887245 QSSCZALKPGXVBK-CYBMUJFWSA-N 310.375 1.252 0 40 DDAB O=C(OCCOc1ccccc1)c1ccc(-n2cnnn2)cc1 3416422 FUYAYRJSRQQARG-UHFFFAOYSA-N 310.313 1.898 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2c(C)noc2Cl)CC1 69952245 JIVKYWUXBXGFHU-NSHDSACASA-N 315.801 1.094 0 40 DDAB CN(C)C[C@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1 69818943 OOMPESBUZOZPST-ZDUSSCGKSA-N 319.434 1.363 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(F)ccc1F 12981972 SUMRRERMDMNOHV-GHMZBOCLSA-N 320.295 1.855 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)NC2CCOCC2)n1 69919396 WGZISQFYTOPPAW-MRXNPFEDSA-N 320.437 1.260 0 40 DDAB CC1CCN(C[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1 65170772 OBPOSZOKMMBHBP-OAHLLOKOSA-N 322.449 1.789 0 40 DDAB NC(=O)c1ccc(CN2CCO[C@H](c3nccs3)C2)cc1 65593963 MKGJNLMKPIRODB-ZDUSSCGKSA-N 303.387 1.816 0 40 DDAB CCCC(C)(C)NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C 65565904 GYAMZYZWTQKJBN-UHFFFAOYSA-N 303.366 1.573 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc3cc[nH]c23)C1 92771686 HHTQQVIJYZLRLR-GFCCVEGCSA-N 321.402 1.322 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ncnc3nc[nH]c23)cc1 28249465 DDFWDHNQEDXTFD-UHFFFAOYSA-N 305.319 1.162 0 40 DDAB Cc1noc(C)c1CSCC(=O)Nc1nn2cnnc2s1 6508786 DOCSSHSMFXWWBD-UHFFFAOYSA-N 324.391 1.663 0 40 DDAB CCc1nn2c(=O)cc(COC(=O)c3ccco3)nc2s1 6588482 PJKMHIXETHZYAL-UHFFFAOYSA-N 305.315 1.663 0 40 DDAB Cc1cccc2nc(CN[C@H]3CCCC[C@H]3C(N)=O)cc(=O)n12 97103556 NJAROQQUAYCIEZ-KGLIPLIRSA-N 314.389 1.137 0 40 DDAB CCN1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 67263123 GETLNNYYZFJAIV-UHFFFAOYSA-N 317.368 1.493 0 40 DDAB CN(CCCNC(=O)CSc1nncn1C)c1ccccc1 7077214 ZBSYMZOCWGNXMH-UHFFFAOYSA-N 319.434 1.550 0 40 DDAB Cc1c(NS(=O)(=O)c2cccs2)cccc1-n1cnnn1 16100883 OBYVWQPWXZFPLZ-UHFFFAOYSA-N 321.387 1.833 0 40 DDAB CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccsc2)C[C@H]1C 83612807 IKMCOQWXLSDLSD-KOLCDFICSA-N 302.421 1.002 0 40 DDAB CCN(CC)C(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 69352073 YCRDEEVSQKPYHL-AWEZNQCLSA-N 304.390 1.912 0 40 DDAB CC(=O)NCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 69437271 HISKARQYHIUDJD-CJNGLKHVSA-N 303.406 1.464 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](C)C2)cc1 28018619 MRRUTHKJEDMFLX-CQSZACIVSA-N 324.446 1.874 0 40 DDAB C[C@H]1COCCN1CCNC(=O)CCCOc1cccc(F)c1 72273948 NQGPOWSPYIGWPS-AWEZNQCLSA-N 324.396 1.822 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3ccsc3)CC2)n1 69652475 ZQAGSCYNSXKQAK-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3ccoc3C)CC2)n1 69630079 JYPIYCKTCBIVOQ-UHFFFAOYSA-N 316.361 1.657 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 71871143 GVCVUMNYLNSPDQ-IUODEOHRSA-N 306.431 1.228 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc12 71819737 XHMNUGSYTXUDGM-ZDUSSCGKSA-N 309.329 1.223 0 40 DDAB CC(C)[C@@H](C(=O)NCCCC(N)=O)N1CCc2ccccc2C1 71826794 KKAOPJQGSNINJP-KRWDZBQOSA-N 317.433 1.451 0 40 DDAB CCc1cnc(NC(=O)N2CCN([C@H](CC)CO)CC2)s1 83827893 YFPJFEMOYYLXSO-LLVKDONJSA-N 312.439 1.626 0 40 DDAB Cc1cccc(Cl)c1NCC(=O)NCC(=O)N1CCCC1 72312409 CJUDGNGWFUFBFU-UHFFFAOYSA-N 309.797 1.799 0 40 DDAB Cc1n[nH]cc1CN[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 72300610 BDBLHOPMCOTIET-SMDDNHRTSA-N 314.455 1.256 0 40 DDAB Cc1cc(S(=O)(=O)NCCCN)sc1Br 87022493 YDSBRQKAXWFQQY-UHFFFAOYSA-N 313.242 1.446 0 40 DDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1occc1C 84736269 SYPGGMLTQUPCDB-STQMWFEESA-N 300.424 1.738 0 40 DDAB CO[C@H](C)C(=O)Nc1ncc(F)cc1I 95991356 AGJYXVWZHHSAPO-RXMQYKEDSA-N 324.093 1.799 0 40 DDAB CN(CC(=O)NCCc1ccc2c(c1)CCO2)[C@H]1CCSC1 95978714 XIOMTDMWAGUVAR-HNNXBMFYSA-N 320.458 1.718 0 40 DDAB O=S(=O)(c1ccccc1)N1CCC[C@H](Cn2cncn2)C1 95994965 KFFOEDOCCFHLEX-CYBMUJFWSA-N 306.391 1.379 0 40 DDAB C[C@H]1CN(C(=O)NCCn2cccc2)CCN1CC(F)(F)F 95977525 BSZNYFAZAYVETD-LBPRGKRZSA-N 318.343 1.766 0 40 DDAB CCc1cc(C(=O)Nc2cc(-c3nncn3C)ccn2)cc(=O)[nH]1 95994414 WRQWNZXSRGZIMN-UHFFFAOYSA-N 324.344 1.380 0 40 DDAB Cc1n[nH]cc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89534600 YYPQBNOVPHHOQP-CQSZACIVSA-N 314.345 1.084 0 40 DDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccno3)C2)C1=O 89869805 WXLFNFUNEMPEAZ-LRDDRELGSA-N 320.393 1.606 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)c1ccsc1 31327738 ICZAPDBSWLZCBO-UHFFFAOYSA-N 303.387 1.910 0 40 DDAB Cc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)c1F 126795021 QLBHBVORZXKGCE-SECBINFHSA-N 322.258 1.454 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)cn1 78556581 HWECQFCRFCAWGJ-KGLIPLIRSA-N 305.378 1.469 0 40 DDAB O=c1[nH]c2cc(S(=O)(=O)NNc3ccccc3)ccc2o1 30953004 JSYNFSDGRHDQDY-UHFFFAOYSA-N 305.315 1.427 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 70637341 NWLSEKOAGUMGOA-UHFFFAOYSA-N 318.420 1.536 0 40 DDAB CCc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccsc2)n(C)n1 77731057 QLAUHWGNENDPIP-SNVBAGLBSA-N 320.418 1.730 0 40 DDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217707165 IXDWTFVONRLQRT-UHFFFAOYSA-N 324.358 1.888 0 40 DDAB O=S(=O)(Cc1ccccc1Cl)NCC1(O)CCOCC1 75158057 QFAQBIRBBWVLOP-UHFFFAOYSA-N 319.810 1.301 0 40 DDAB CN(CC1CCCCC1)C(=O)CN1CCCN(C(N)=O)CC1 75684473 NXMRVQAWGVXSSD-UHFFFAOYSA-N 310.442 1.112 0 40 DDAB O=C(O)c1nn(-c2ccc3c(c2)OCO3)c2ccccc2c1=O 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C[C@@H](CO)NC(=O)NCc1ccc(F)c(Cn2ccnc2)c1 65453889 PSJRUFYBGAYXDS-NSHDSACASA-N 306.341 1.251 0 40 DDAB CCCCCn1c(NN)nc2cc(OC)c(OC)cc2c1=O 408712772 PRXKDGPUSKFXDY-UHFFFAOYSA-N 306.366 1.890 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)NC(C)(C)C1=O 4516698 YHJRAHVQESXGMC-UHFFFAOYSA-N 309.753 1.917 0 40 DDAB C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 69653076 CVHPSHJEIQRWHY-ZBFHGGJFSA-N 309.454 1.302 0 40 DDAB COCCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)O)C1 66152162 SQZWPALYXNRYBE-GFCCVEGCSA-N 307.346 1.649 0 40 DDAB Cc1cccc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)c1 4921819 FKCVXJCHPIFZIF-QMMMGPOBSA-N 304.379 1.464 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)n2nc(N)nc2C)cc1 69842705 JGINYXBWNRQYBV-UHFFFAOYSA-N 302.334 1.871 0 40 DDAB CCNC(=O)N1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 69845524 DOLVKOGSNAIACD-ZNMIVQPWSA-N 324.469 1.417 0 40 DDAB Cc1[nH]c(C(=O)OCC(=O)NC(C)C)c(C)c1C(=O)OC(C)C 7413230 ZLXXSJUJIBTCMR-UHFFFAOYSA-N 324.377 1.878 0 40 DDAB CNC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC=CCC2)c1 7468216 NWAUAMQVPAPTHL-GFCCVEGCSA-N 316.357 1.884 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@@H](c2ccn[nH]2)C1 72283045 ONRXHOAZDYFUNQ-CYBMUJFWSA-N 314.393 1.798 0 40 DDAB O=C(c1ccncc1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005382 MIMMHAWCCBMVLD-UHFFFAOYSA-N 317.370 1.348 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)n1 72235353 VWYTUVPWRRCXSH-CYBMUJFWSA-N 302.382 1.414 0 40 DDAB COC(=O)CN1CCC(NC[C@@H]2Cc3ccccc3O2)CC1 97162186 FNQVSUFXSJCBFD-HNNXBMFYSA-N 304.390 1.217 0 40 DDAB CN1CCN(C2CCN(c3ncnc4c3CCC4)CC2)C1=O 71859565 UWMAZVSSWONKCK-UHFFFAOYSA-N 301.394 1.302 0 40 DDAB Cn1c(CN2CCCC[C@H]2Cn2cncn2)nnc1C1CC1 71876441 FXKAPTZJDALISY-ZDUSSCGKSA-N 301.398 1.339 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3cncnc3C)CC2)nn1 71863551 XCUJXUCSOCLBEG-UHFFFAOYSA-N 312.377 1.600 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H](C(C)C)n3cncn3)C2)n1 71823491 XSRFOFVYBWRNAG-CHWSQXEVSA-N 318.381 1.573 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 71881102 NSQMSNVYUYOYRI-IRXDYDNUSA-N 319.449 1.204 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(Cn2cccn2)o1 97197445 MKLCWDOOXDBCGV-LBPRGKRZSA-N 311.345 1.466 0 40 DDAB Cc1nc(C)c(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)s1 84062433 RXJURPGJMVWYSJ-OAHLLOKOSA-N 322.434 1.665 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)c1ccc(NC2CC2)nc1 84012195 DGKYIAQOORFOOA-UHFFFAOYSA-N 313.405 1.979 0 40 DDAB CN(Cc1ccc2nonc2c1)c1ncnc2c1CCNCC2 72476160 WLGSYYCQWXDVRZ-UHFFFAOYSA-N 310.361 1.337 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n[nH]1 84110610 OMBBXBAGKFCRAN-CYBMUJFWSA-N 324.388 1.869 0 40 DDAB C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F 84714577 JUXIRKQVBLRPSP-KCJUWKMLSA-N 306.790 1.708 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)c2cccc(C)c2)C1 95417826 MQIUUDYNLIUBNA-JLCFBVMHSA-N 322.430 1.230 0 40 DDAB CNS(=O)(=O)CCC(=O)N[C@H](C)Cc1ccc(C)s1 95453197 ONIKRXURBMDKAU-SECBINFHSA-N 304.437 1.043 0 40 DDAB COc1cccc2c1CC[C@@H]2N[C@@H](C)CC(=O)N1CCOCC1 95969340 ZBFPXQRFUCLSJM-BBRMVZONSA-N 318.417 1.910 0 40 DDAB COc1ccccc1OCC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 74862548 GPOHKMBTSKOKIS-LBPRGKRZSA-N 320.389 1.590 0 40 DDAB CC[C@@H](C(=O)NCC1CCN(c2ccncc2)CC1)N(C)C 89393744 CGVATRZIQRKSAW-INIZCTEOSA-N 304.438 1.754 0 40 DDAB CC(C)(C)c1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1 42634049 MTOAAWYFLKVCBK-UHFFFAOYSA-N 311.451 1.305 0 40 DDAB Cc1ccc(C(=O)NCc2nncn2-c2ccccc2)c(=O)[nH]1 75119721 XFJVPAWWURWHDA-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c(=O)[nH]1 75122794 FJIGKAQUOXVNPT-SCRDCRAPSA-N 305.422 1.780 0 40 DDAB Cc1ccc(C[S@](=O)CC(=O)N[C@H](C)C(=O)N(C)C)cc1C 89643210 BDAAJFZSYQNYAQ-MCMMXHMISA-N 324.446 1.145 0 40 DDAB O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CC(O)C1 89821301 YDYKITHFGJNCRN-UHFFFAOYSA-N 301.321 1.317 0 40 DDAB CC(C)(C)c1ccc(=O)n(CN2CCN(CC(F)F)CC2)n1 66793446 MMPLQDBSKGEMDC-UHFFFAOYSA-N 314.380 1.381 0 40 DDAB c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CCNC3)nc1 306125191 CIOMOXDUAKJLAK-WMZOPIPTSA-N 301.434 1.920 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@H]1Cn1cncn1 75133028 JPVGHDROZITNAW-ZDUSSCGKSA-N 317.397 1.111 0 40 DDAB C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)CC2(CCC2)O1 519713895 YGMWTVHQWQNIKX-AWEZNQCLSA-N 313.405 1.865 0 40 DDAB CCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 36350922 HNCYFKWAGNFLIE-UHFFFAOYSA-N 314.407 1.060 0 40 DDAB COc1ccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cc1 77261932 XMUMESHHQBKYJA-BRSBDYLESA-N 314.385 1.458 0 40 DDAB biogenic,in-vitro CC(=O)c1cn(CC(=O)N2CCN(C=O)CC2)c2ccccc12 32071721 XSXZPMGYJULLIO-UHFFFAOYSA-N 313.357 1.145 0 40 DDAB CS(=O)(=O)[C@@H]1[C@H](CO)[C@@H]1c1ccc(Br)cc1 218195687 SRCWXYIAFWGAIY-OUAUKWLOSA-N 305.193 1.568 0 40 DDAB CCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 76585589 ZNVHARIJGDPJIF-UHFFFAOYSA-N 320.208 1.749 0 40 DDAB COC[C@@](C)(O)CNC(=O)Nc1cc(Cl)ccc1OC 70018498 AZEIFSIBIHSJPV-ZDUSSCGKSA-N 302.758 1.868 0 40 DDAB COCc1nnc(N2CC[C@@](C(=O)O)(C(F)(F)F)C2)s1 573687470 JIGIGQRWOAPBKQ-SECBINFHSA-N 311.285 1.528 0 40 DDAB CNS(=O)(=O)c1csc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 569716911 OCQMXEMLOVAZMV-WDEREUQCSA-N 314.432 1.575 0 40 DDAB O=C([C@H]1CC=CCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436789 KYXNTSQUQWAOAJ-LSDHHAIUSA-N 304.390 1.814 0 40 DDAB CCOC1CC(CNCc2cscn2)(N2CCOCC2)C1 195460661 CLEMUFQIGCDGPN-UHFFFAOYSA-N 311.451 1.503 0 40 DDAB CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCC(C)CC1 225404530 JZCYWBCUPGMHFZ-LSDHHAIUSA-N 307.438 1.234 0 40 DDAB biogenic,in-vitro Cc1cnc(C(=O)N2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cn1 96220000 OJVVKMLMUCDLDX-YOEHRIQHSA-N 317.389 1.585 0 40 DDAB Cc1cc([C@@H]2CCCN2c2ncnc3c2cnn3CCO)no1 97200269 JVPNTXZSYMUVGI-ZDUSSCGKSA-N 314.349 1.457 0 40 DDAB O=C(Nc1cc(F)ccc1O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 96452114 ZXEXMSCDYRGOCI-SSDOTTSWSA-N 320.242 1.881 0 40 DDAB CCO[C@H]1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1 96158751 RETRPOKQCNYTDG-CYBMUJFWSA-N 305.378 1.585 0 40 DDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2CC2CCC2)O1)N1CCOCC1 96065319 WEIYHDLZBMOLSH-OAGGEKHMSA-N 308.422 1.267 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184453 CFLBMQWPTBUHOZ-JKSUJKDBSA-N 303.406 1.730 0 40 DDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccco2)O1)N1CCCCO1 96057392 MTKHLIWYNHSNHT-OAGGEKHMSA-N 320.389 1.956 0 40 DDAB C[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccco1 97102872 KLRNNERBGDAIJJ-LBPRGKRZSA-N 305.378 1.995 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N(C)Cc1ccccn1 96436176 ASWVQUGSFIZZRK-INIZCTEOSA-N 305.422 1.833 0 40 DDAB c1cnc(N2CCC[C@@]3(C2)CN(C2CCOCC2)CCO3)cn1 96074843 BHJZATLPSWVYPL-KRWDZBQOSA-N 318.421 1.327 0 40 DDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(F)c1)C2 247905360 WZDHFDIAYZYKQC-CYBMUJFWSA-N 313.394 1.461 0 40 DDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2Cc1cncc(C)c1 257222262 DSPCZXIYCQZRBZ-OKZBNKHCSA-N 317.433 1.584 0 40 DDAB CN(C)c1nccnc1[C@@H]1CN(Cc2cscn2)CCO1 257326731 WYJOAWXOTCWWRB-LBPRGKRZSA-N 305.407 1.573 0 40 DDAB Cn1ccc(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)n1 257250865 JOJDEQPJQJSKHO-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB Cc1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)on1 257270846 MVWMDZRIEIWAHS-GFCCVEGCSA-N 302.334 1.945 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1 257252298 JUGTZFZMWSENAM-KRWDZBQOSA-N 310.357 1.022 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)CCN3CCCC3)CCO2)n1 257323727 WLPLYLWUCSLEBH-CQSZACIVSA-N 304.394 1.050 0 40 DDAB CCOC[C@@H](O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 252509172 YEDKQQZWNFFDOF-NSHDSACASA-N 316.283 1.756 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 257295039 QWRHETXGJYOLJX-ZDUSSCGKSA-N 320.418 1.692 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)cc1 257295354 QXZGLJMGCGBNSE-IRXDYDNUSA-N 318.417 1.293 0 40 DDAB Cc1cc(CC2CCN(CC(=O)N3CCOCC3)CC2)ccn1 257322089 WENYZRFTESPHBR-UHFFFAOYSA-N 317.433 1.503 0 40 DDAB CS(=O)(=O)CCN(C(=O)c1cccc(C(=O)O)c1)C1CC1 263226883 ANSXUBVKRUOLEG-UHFFFAOYSA-N 311.359 1.034 0 40 DDAB CO[C@H](CNC(=O)C(=O)Nc1cccnc1)c1ccccc1C 96105130 LEOBOWMXOHKHSI-OAHLLOKOSA-N 313.357 1.832 0 40 DDAB COc1ccc(CN2C[C@H](CC(=O)N(C)C)[C@@H](O)C2)cc1F 585277304 HXEDJGXRIKUUME-JSGCOSHPSA-N 310.369 1.105 0 40 DDAB O=C(NC[C@@H]1CCCO1)Nc1nnc(-c2ccccn2)s1 47788927 OHDRWWSCGIQGDU-VIFPVBQESA-N 305.363 1.901 0 40 DDAB CN(C)C(=O)CCNC(=O)NCc1ccccc1-n1ccnc1 56895603 NRIIVJJIQGBAKY-UHFFFAOYSA-N 315.377 1.150 0 40 DDAB COCCNc1cc(CC[C@@H]2CCCCN2C(C)=O)ncn1 72366298 RVSQQNGDGPBYOW-HNNXBMFYSA-N 306.410 1.869 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3nccs3)C2)C[C@H]1N(C)C 76051092 MJGFKGJJGSLZHH-MGPQQGTHSA-N 322.478 1.768 0 40 DDAB COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1 85468020 XLZLRPSCEPXPPH-UHFFFAOYSA-N 306.406 1.465 0 40 DDAB O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1C[C@H](O)C(F)(F)F 97377957 LFPVOMNHLXXRCB-ONGXEEELSA-N 319.254 1.667 0 40 DDAB O=[N+]([O-])c1cc([N+](=O)[O-])c(OCc2c[nH]cn2)c([N+](=O)[O-])c1 113330208 QSMDETGRGQWDBC-UHFFFAOYSA-N 309.194 1.713 0 40 DDAB CSc1nnc([C@@H]2CCCN2C(=O)N2CCOCC2)n1C 5001561 IWHIKGIMTUOEPH-JTQLQIEISA-N 311.411 1.126 0 40 DDAB O=C(CN1CCC(c2ccccc2F)CC1)N1CCOCC1 12113934 PTHKYONJQPGIQZ-UHFFFAOYSA-N 306.381 1.864 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccccc3Cl)[C@H]2C1 13686505 FPQVHGXHIGZSTE-WPRPVWTQSA-N 302.808 1.200 0 40 DDAB CC(C)(C)n1nc([C@H](O)[C@@H](O)CO)c2nc3ccccc3nc21 16323331 QWEQVUOCNHGLPM-SMDDNHRTSA-N 316.361 1.121 0 40 DDAB NS(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2)cs1 18387703 VCDDMGYNFOAVFV-UHFFFAOYSA-N 315.347 1.892 0 40 DDAB Cn1cc2c(n1)[C@@H](C(N)=O)CN(C(=O)c1cc3ccccc3o1)C2 19701204 SMCJGDGRDSNAIT-LBPRGKRZSA-N 324.340 1.391 0 40 DDAB Cn1nccc1CN1CCO[C@@H](C(=O)N2CCCCCC2)C1 19747170 SSBYIQUAAPWDBU-OAHLLOKOSA-N 306.410 1.024 0 40 DDAB COCCCn1c(SCC(N)=O)nnc1-c1ccccc1 4161243 VIAWVZVYXRUCLW-UHFFFAOYSA-N 306.391 1.559 0 40 DDAB COc1nn(C)cc1C(=O)NCc1ccc(-c2ccnn2C)o1 1888900850 UQAFZSHLWUEALV-UHFFFAOYSA-N 315.333 1.352 0 40 DDAB Cc1ccc(CN2CCO[C@H](C(=O)N3CCOCC3)C2)cc1 1889122726 RGDGISIHOUCEMN-INIZCTEOSA-N 304.390 1.055 0 40 DDAB CC[C@@H]1CN(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)CCO1 30852115 ALLVWQYGOBFHPU-CHWSQXEVSA-N 318.373 1.438 0 40 DDAB CN1C(=O)[C@@H]2[C@H](c3ccccc3)NN(Cc3ccccc3)[C@H]2C1=O 245229150 OMWIXGLNODRCFR-IXDOHACOSA-N 321.380 1.732 0 40 DDAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c(C)c1 2037984374 YSADJLLOETUOBW-RDJZCZTQSA-N 318.417 1.683 0 40 DDAB CN1C(=O)c2cccnc2C12CCN(C(=O)c1cc[nH]n1)CC2 1565554970 MJHIDOOHWUDDIK-UHFFFAOYSA-N 311.345 1.022 0 40 DDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 2710867 VYUGWERAQQWTFK-RKDXNWHRSA-N 310.350 1.643 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccs1 9570948 TWMUDUZLHQQWNC-UHFFFAOYSA-N 321.312 1.932 0 40 DDAB CCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713699 ZYXOLMCZLONXTC-LBPRGKRZSA-N 304.394 1.160 0 40 DDAB O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)C1CC1 206750920 WZRIHXYEEADQPM-UHFFFAOYSA-N 320.374 1.478 0 40 DDAB O=C(COc1ccc2ccccc2c1)NC[C@@]1(O)CCOC1 178899558 PPIQCVNRULCLBE-KRWDZBQOSA-N 301.342 1.486 0 40 DDAB O=C(Nc1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1 10463527 XOKBVZJEFJUPNY-UHFFFAOYSA-N 318.377 1.288 0 40 DDAB C[C@H](NC(=O)c1ccsc1)c1cccc(S(N)(=O)=O)c1 40215775 CBGKUNXESLPABA-VIFPVBQESA-N 310.400 1.887 0 40 DDAB CC(=O)N1CCCN(CC(=O)Nc2ccc(Cl)cn2)CC1 40477319 YGHRMJOZQQRJBD-UHFFFAOYSA-N 310.785 1.228 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(Cn2cccn2)cc1 40522172 LPTDHRQCLRHSMB-OAHLLOKOSA-N 312.373 1.330 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@H]1CCCO1 40522322 LEKJBGVSONDVDX-GZBFAFLISA-N 317.389 1.114 0 40 DDAB O=C(C[C@H]1CCCCO1)NCCc1n[nH]c(=S)n1C1CC1 87335668 BCNKWPBJFIKHHD-LLVKDONJSA-N 310.423 1.893 0 40 DDAB COC[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 78241778 ZYABXMNLVZXUPP-VIFPVBQESA-N 322.224 1.903 0 40 DDAB C[C@H]1CN([C@@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H](C)O1 32816896 RMRAZWAERSQFOP-RWMBFGLXSA-N 317.389 1.188 0 40 DDAB Cc1nc(C)c(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)s1 78973578 VZDOUUJRFNGZNP-GFCCVEGCSA-N 324.450 1.599 0 40 DDAB CCOc1ncccc1C(=O)O[C@H](C(N)=O)c1ccccc1 32869126 GBBGNYPVUNVWJF-ZDUSSCGKSA-N 300.314 1.864 0 40 DDAB COc1ccc(NC(=O)CCNc2nc(C)cc(C)n2)cn1 79501151 CJJPLDPCCNCERP-UHFFFAOYSA-N 301.350 1.938 0 40 DDAB C[C@H]1CN(CCCCNc2nccn3cnnc23)C[C@@H](C)O1 97019086 VGVJOEFYEXPOFN-BETUJISGSA-N 304.398 1.426 0 40 DDAB CCN(C(C)=O)c1nc(COC(=O)c2cnn(C)c2C)cs1 21603744 WKNHTTYFSLVFRO-UHFFFAOYSA-N 322.390 1.915 0 40 DDAB COc1ccc([C@H](O)CNC(=O)CCNc2ncccn2)cc1 52741848 ZZRWZVZLNRVFSH-CQSZACIVSA-N 316.361 1.137 0 40 DDAB CN1N=C(c2ccncc2)[C@H](C(=O)c2ccc3c(c2)OCO3)C1=O 103263874 XNLWSFAMZHANEC-CQSZACIVSA-N 323.308 1.486 0 40 DDAB Cc1nc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n[nH]1 103258080 NISIYDJMWUKPAO-UHFFFAOYSA-N 302.334 1.801 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3ncc[nH]3)CC2)on1 72289470 RLNNYNRXWMGLCF-LLVKDONJSA-N 303.366 1.913 0 40 DDAB CC(C)NC(=O)CNC(=O)Cc1ccc(OC(F)(F)F)cc1 47771346 ZJEHCNUOAWYURO-UHFFFAOYSA-N 318.295 1.769 0 40 DDAB Cc1nn2c(=O)/c(=C\c3ccc(C(C)C)cc3)sc2nc1=O 16719264 SJSNYTLEEZFXMA-MDWZMJQESA-N 313.382 1.491 0 40 DDAB CC(C)(CNC(=O)CCC(=O)c1cccs1)N1CCOCC1 23624921 OBNGRIDGZMVGRU-UHFFFAOYSA-N 324.446 1.938 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3ncccc3C)C[C@@H]21 108527352 CIFHKNMXDNSYHM-IRXDYDNUSA-N 305.422 1.312 0 40 DDAB C[C@@H]1Cc2cc(S(=O)(=O)N(C)Cc3cnn(C)c3)ccc2O1 106226628 ZROILFXADLUKEO-LLVKDONJSA-N 321.402 1.564 0 40 DDAB COc1ccc([C@@H](C)NC(=O)Cn2ccc(C(=O)O)n2)cc1 20320500 UESGMKTWCSBYNZ-SNVBAGLBSA-N 303.318 1.467 0 40 DDAB CC(C)[C@H](NC(=O)NCc1cccnc1)c1nnc2n1CCC2 72271555 RLJVGTLFDGMWEQ-AWEZNQCLSA-N 314.393 1.816 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1 100307566 FFPRYSXUVZEAQK-QLKXBERHSA-N 308.337 1.385 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 25755160 SRBNHJLOJKTZSP-UHFFFAOYSA-N 305.378 1.929 0 40 DDAB Cc1nc2ccc(C(=O)OCCN3CCOC3=O)cc2nc1C 43997293 UIKDXYWNSDAFPF-UHFFFAOYSA-N 315.329 1.856 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)O)cs2)cc1 26423491 HTXHAVGYCMQQOF-UHFFFAOYSA-N 314.344 1.651 0 40 DDAB CCC(C)(C)NC(=O)CN1CCN(c2ccccc2O)CC1 57332392 CUTUGAVQSVATMS-UHFFFAOYSA-N 305.422 1.819 0 40 DDAB O=C1[C@@H]2[C@@H]3C(=O)[C@@]4(Br)[C@H]2[C@@H]2[C@H]4[C@@H]3[C@@]12Br 104107265 BPIHMPOUHNUKRN-QSJDZCEPSA-N 317.964 1.157 0 40 DDAB CN(Cc1ccco1)C[C@@H]1CC[C@]2(COCCN(C(N)=O)C2)O1 107195038 GIHOCKJCWAKLDO-HOCLYGCPSA-N 323.393 1.040 0 40 DDAB CCN(CC)[C@@H](C)CNC(=O)Nc1ccc(-n2cncn2)nc1 48132405 FDTVBRNDMDUPLW-LBPRGKRZSA-N 317.397 1.514 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cccs3)C2)C1 108534821 ATPYNVRWQZJNRK-UHFFFAOYSA-N 314.432 1.292 0 40 DDAB C[C@H]1CN(C(=O)CSc2nnc3ccccn23)C[C@H](C)O1 3347838 AYZIDNSYKICZTD-QWRGUYRKSA-N 306.391 1.457 0 40 DDAB CN(CC(=O)NC(=O)NCc1ccco1)Cc1cccs1 57850710 FJEVHDFBIJAQLV-UHFFFAOYSA-N 307.375 1.799 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)NCC1CCCC1 27347685 QUVXVKYBNIVPTE-UHFFFAOYSA-N 318.421 1.908 0 40 DDAB Cc1[nH]nc(C(F)(F)F)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014391 CZHIZGLGSAHFDL-DKXJUACHSA-N 315.251 1.404 0 40 DDAB N=C1N=C(O)NC(=O)/C1=N/Nc1ccc(Br)cc1 101075745 SXEQEPUCZGBCJZ-FRKPEAEDSA-N 310.111 1.238 0 40 DDAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccn(C)c(=O)c1 44977262 FYSYIFUWYZSVEZ-SWLSCSKDSA-N 311.385 1.753 0 40 DDAB Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)no1 44909695 JPATZNZIZUPDEN-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB COc1cc(CNC(=O)c2cnc3sccn3c2=O)ccn1 58368960 YXCLOVTYBNKQEG-UHFFFAOYSA-N 316.342 1.090 0 40 DDAB O=C(NCc1cc[nH]n1)Nc1nnc(-c2ccccn2)s1 48365468 QLGBOIICXFSKRK-UHFFFAOYSA-N 301.335 1.645 0 40 DDAB CC(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408708888 MVGGMPYTMWAHPW-UHFFFAOYSA-N 317.389 1.680 0 40 DDAB CCNC(=O)NC(=O)COC(=O)Cc1cccc2ccccc12 3508218 KWCVORSFRUXJHF-UHFFFAOYSA-N 314.341 1.771 0 40 DDAB CCc1ccc([C@@H](CNC(=O)c2nccnc2N)N(C)C)cc1 12949149 QIEJPFUFTMVFAZ-CQSZACIVSA-N 313.405 1.654 0 40 DDAB CCc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)s1 48665185 QBKUVTJLYGKFRR-SECBINFHSA-N 302.421 1.197 0 40 DDAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2ccon2)n1 81841274 BIOTVIUAAFJLEY-UHFFFAOYSA-N 316.292 1.943 0 40 DDAB COC(=O)[C@@H]1CC[C@@H](O)[C@H](OC)N1C(=O)OCc1ccccc1 26895547 AWPGAMAVGUJBCC-MJBXVCDLSA-N 323.345 1.294 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(C)=O)C1 69380512 FTUYTJXJOLUYEX-GJZGRUSLSA-N 308.353 1.640 0 40 DDAB CN1C(=O)S[C@@H](Cc2ccc(NS(C)(=O)=O)cc2)C1=O 3997404 WHWGCOOLSDQNKS-JTQLQIEISA-N 314.388 1.294 0 40 DDAB O=C(O)C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 4090499 VZPZSWBXKJFYJG-ZDUSSCGKSA-N 318.329 1.535 0 40 DDAB biogenic,in-vitro CCOC(=O)c1cn(CC(=O)Nc2cccc(OC)c2)nn1 5026078 FYVNQLMXUXYLBZ-UHFFFAOYSA-N 304.306 1.102 0 40 DDAB C[C@@H]1CN(CCOCC(F)(F)F)CCN1Cc1nccn1C 69442887 BQLYMDXUOAEQIT-GFCCVEGCSA-N 320.359 1.505 0 40 DDAB Cc1nnc(SCC(=O)N2CCNC2=O)n1-c1ccccc1 6109205 ILBRDOONDPGDEQ-UHFFFAOYSA-N 317.374 1.220 0 40 DDAB COc1ccc2oc(C)c(C(=O)NCCN3CCOCC3)c2c1 39702316 RRPYCKPJTPWQCD-UHFFFAOYSA-N 318.373 1.812 0 40 DDAB COc1ccccc1CN(C)C(=O)COC(=O)c1cnccn1 5170095 SVIDYJOVYZGYEC-UHFFFAOYSA-N 315.329 1.301 0 40 DDAB CC(C)N(C)C[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 65434360 MSKNCAOOWUHDLH-ZDUSSCGKSA-N 302.426 1.920 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3ccoc3C)CC2)n1 69512572 IDKBWDFMEIPPLG-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc3[nH]cnc3c2)C1 65577905 OEFJIHOTKQDXGX-CQSZACIVSA-N 316.405 1.650 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2ccc(C)cc2)CC1 65608224 YDYLHZIRJPSBMN-CYBMUJFWSA-N 318.421 1.715 0 40 DDAB O=C(Nc1nnc(CCN2CCOCC2)s1)C1CCCCC1 17248374 PYPJIIUVKAJBGL-UHFFFAOYSA-N 324.450 1.932 0 40 DDAB S=C(NCc1ccco1)NNC(=S)N[C@@H]1C=CCCC1 6528152 NHZLWNSLRDNUTL-SNVBAGLBSA-N 310.448 1.732 0 40 DDAB CC1(C)Cc2c(sc3nc4n(c(=O)c23)C[C@H](O)CS4)CO1 4795165 IFAXBYRLCDDXGN-ZETCQYMHSA-N 324.427 1.776 0 40 DDAB O=C(O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 6719958 DBABIDPALZCEAK-UHFFFAOYSA-N 301.298 1.730 0 40 DDAB O=C1COCC(=O)N1Cc1ccc(F)c(Br)c1 42339002 VUZHWWJQLHWWFQ-UHFFFAOYSA-N 302.099 1.474 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)N[C@H]2CCOC2=O)CC1=O 66993607 UVNAZEQTWYESDH-OLZOCXBDSA-N 316.357 1.034 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 17636138 AATCVIMGJQWXII-SSDOTTSWSA-N 308.186 1.910 0 40 DDAB COc1cc(CN[C@@H]2CCc3nc(C)nn3C2)cc2c1OCO2 69770485 UYROETMURWSTPI-GFCCVEGCSA-N 316.361 1.428 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C 7304268 FAHRBVFTBXJTNQ-CYBMUJFWSA-N 317.432 1.159 0 40 DDAB Nc1nnc(SCCS(=O)(=O)Oc2ccccc2)s1 7414807 FQADEASTABZVJQ-UHFFFAOYSA-N 317.417 1.621 0 40 DDAB Cc1nc(CN2CCC[C@@H](NCc3nc(C4CC4)no3)C2)no1 69874597 YYPSKGUJBWNDMB-GFCCVEGCSA-N 318.381 1.393 0 40 DDAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 7696838 NSKDNQYFRZFADI-UHFFFAOYSA-N 315.301 1.669 0 40 DDAB CC(=O)N(C)C1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 68576196 MYKOYMIYTHNYCI-ZDUSSCGKSA-N 309.454 1.767 0 40 DDAB CCN(CC(=O)NC(C)(C)C)Cc1nc2ccsc2c(=O)[nH]1 16560310 ZQZONFVUIKUHMC-UHFFFAOYSA-N 322.434 1.721 0 40 DDAB O=C(CNC(=O)NCC1CCCC1)Nc1cccc2c1OCO2 97238581 DFGVGVJACJSCOO-UHFFFAOYSA-N 319.361 1.843 0 40 DDAB CC[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2O)CCO1 84383510 MXPVENRDYYJOFH-CYBMUJFWSA-N 319.336 1.968 0 40 DDAB CC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCCC2 96344015 HQROUWNELZRXDW-UHFFFAOYSA-N 321.421 1.444 0 40 DDAB COc1ccc(C(=O)N2CC[C@]3(CCN(C(C)=O)C3)C2)cc1 63527728 DZNBRKUOAUVWEG-KRWDZBQOSA-N 302.374 1.780 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C[C@H](O)Cn2cccn2)c1 71878569 NQJVMAPEGHRPMM-HOTGVXAUSA-N 303.410 1.304 0 40 DDAB COC(=O)CN(CCO[C@H]1CCCC[C@H]1C)Cc1cnn(C)c1 71899841 VCXPNUAICJLPLV-ZBFHGGJFSA-N 323.437 1.990 0 40 DDAB O=C(Cc1ccccc1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 84502357 KTGVEEPZMQBRKK-HZPDHXFCSA-N 322.836 1.940 0 40 DDAB COC(=O)[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 71924080 LFFXAUYOAVICJI-GFCCVEGCSA-N 311.426 1.644 0 40 DDAB CCOC(=O)/C=C/c1ccc(NC(=O)CCNC(C)=O)cc1 9690085 AHAWINCIYSGZDK-RMKNXTFCSA-N 304.346 1.728 0 40 DDAB NC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 95430326 UTMZVHMBVLOERF-NSHDSACASA-N 302.353 1.913 0 40 DDAB CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cccn1C 95436419 LIGBIIVAVJVTMF-UHFFFAOYSA-N 311.341 1.393 0 40 DDAB CC(=O)N1CCN(CCN[C@H](C)[C@H](C)c2ccccc2)CC1 95420281 CSPHCIFMPKKURB-JKSUJKDBSA-N 303.450 1.932 0 40 DDAB CC(C)[C@H](C(=O)N(C)[C@@H](C)C1(C)CC1)N1CCCS1(=O)=O 95982209 NAKJVLJYZCCYQW-QWHCGFSZSA-N 316.467 1.694 0 40 DDAB CC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O 95985347 AEEMHPMZOPPQAZ-LDYMZIIASA-N 302.371 1.144 0 40 DDAB CC[C@@H](C(=O)N1CCN([C@@H](C)c2ccccn2)CC1)N(C)C 95943417 SDLMMNAJJPNOFN-HOCLYGCPSA-N 304.438 1.627 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)NCCCCn2ccnc2C)C1 74533180 GMTPKZVOFSYGDP-AWEZNQCLSA-N 321.425 1.139 0 40 DDAB CC(C)(C)C1CCN(S(=O)(=O)N2CCC(CN)CC2)CC1 89021541 CBEZWMIMWPQRAW-UHFFFAOYSA-N 317.499 1.660 0 40 DDAB Cc1nn(C)cc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cc[nH]n1 75092966 IIZFGFFQZCXMIG-GFCCVEGCSA-N 318.381 1.235 0 40 DDAB Cc1nc(C)c(C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)s1 89559014 FZWQIUYMVOFVAH-OAHLLOKOSA-N 320.418 1.881 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1cnc(-c2cnccn2)s1 89938771 NJEUCWSAXQJSMW-SNVBAGLBSA-N 303.391 1.376 0 40 DDAB C[C@H](C(=O)Nc1c[nH]nc1[C@@H]1CCNC1)[C@H](N)c1ccccc1 1549747045 RDKQFCAYSQTCPZ-LNSITVRQSA-N 313.405 1.761 0 40 DDAB O=C1CC[C@H](Nc2nnc(C(F)F)o2)[C@H]([C@@H]2CCCO2)N1 517212968 DMWZXSQSVPRYCA-ACLDMZEESA-N 302.281 1.245 0 40 DDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3CCO)n2)n1 72383048 DOSGNSWPIHFPRR-AWEZNQCLSA-N 314.393 1.756 0 40 DDAB Cc1cc(C)n(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72351128 AGWYQWNUMNAWLR-UHFFFAOYSA-N 323.422 1.259 0 40 DDAB CCOC(=O)[C@@]1(N)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217999061 PTPVZZCGAVKKQS-CMPLNLGQSA-N 303.767 1.147 0 40 DDAB CCCS(=O)(=O)NCC1(N2CCOCC2)CCCCC1 78902758 LWGPFMGCWFTERL-UHFFFAOYSA-N 304.456 1.351 0 40 DDAB CC(C)[C@H](N)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 79391381 ARTBZQRCZJEYHG-OLZOCXBDSA-N 313.442 1.876 0 40 DDAB CC(C)CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 10372628 UNSPYOPCIYZQKU-UHFFFAOYSA-N 303.284 1.998 0 40 DDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 37406448 UPIALQGHEWCXTB-LBPRGKRZSA-N 311.359 1.249 0 40 DDAB Cc1cnc(C(=O)NCc2cccc(N3CCCC3=O)c2)cn1 32313084 OELRVIDXHSUGPB-UHFFFAOYSA-N 310.357 1.842 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1F 72241597 UJHABYLHDXKADC-HZPDHXFCSA-N 320.364 1.783 0 40 DDAB Cc1cc(NC(=O)C(=O)N[C@@H](C)Cc2cccc(F)c2)n(C)n1 77770753 MVCQLDHQIPOEHF-JTQLQIEISA-N 318.352 1.554 0 40 DDAB CC(C)c1cc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n[nH]1 77139981 GGZYHYYQYIRBGB-MNOVXSKESA-N 313.423 1.619 0 40 DDAB CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)cc1OC 188501026 UQJUBGBYGVWVHI-DGCLKSJQSA-N 320.389 1.820 0 40 DDAB CCC(=O)Nc1nnc(SCc2cc(=O)c(O)co2)s1 41127965 GAUSMGMDEOXAJN-UHFFFAOYSA-N 313.360 1.838 0 40 DDAB CCn1cnnc1CNC(=O)[C@H]1COc2ccc(Cl)cc2C1 47021360 OSINXCCAYUIXAS-LLVKDONJSA-N 320.780 1.819 0 40 DDAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C(C)C 223856263 HJIVRSITKAMACH-UHFFFAOYSA-N 314.407 1.976 0 40 DDAB COC[C@H]1CCCN1Cc1nc(C2(O)CCNCC2)cs1 225467571 RMHAPOHYFFOTIQ-GFCCVEGCSA-N 311.451 1.325 0 40 DDAB biogenic,in-vitro O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)C1(c2cccs2)CCCC1 85469331 VFPQTPZVQWNJJR-JHJVBQTASA-N 309.431 1.808 0 40 DDAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058309 UDJQTENOUCHAHR-BBFKJOKFSA-N 307.390 1.639 0 40 DDAB CN1CC[C@@H](NC(=O)c2ccc(F)c(COCC3CC3)c2)C1=O 80403019 CRFNFZAWCBAKBE-OAHLLOKOSA-N 320.364 1.713 0 40 DDAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 85876524 NTGTVNXUBUREJD-NSHDSACASA-N 313.309 1.896 0 40 DDAB biogenic O=C(NCCN1CCOCC1)c1snnc1-c1ccccc1 225761035 DTBQYMBTJYGKHY-UHFFFAOYSA-N 318.402 1.267 0 40 DDAB CC(=O)N1CCN(C(=O)CCNC[C@H]2C(C)=CCC[C@H]2C)CC1 134172435 UGTDDYCHNAVIKC-WBVHZDCISA-N 321.465 1.649 0 40 DDAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCOC 222751989 VLAIZGUBUSOZDB-CQSZACIVSA-N 306.406 1.966 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225483075 SITKAZIQTVLGRA-ZDUSSCGKSA-N 324.340 1.848 0 40 DDAB biogenic,in-vitro CCN(CC)C[C@@H]1CN(Cc2cnn(C)c2)Cc2nccn2C1 96188279 HPNUCABUQULSCO-MRXNPFEDSA-N 316.453 1.590 0 40 DDAB O=C([C@@H]1CCOC1)N1CCCn2cnc(Cn3cccc3)c2C1 96259461 JADQLCCKYHRIMD-CQSZACIVSA-N 314.389 1.502 0 40 DDAB O=C(CN1CC[C@@H](Oc2ccncc2)C1)Nc1nccs1 96482639 MRCGFBYHAJDGKX-GFCCVEGCSA-N 304.375 1.630 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1occc1C(C)C 332660708 FYEKPCVPHTZGJN-LLVKDONJSA-N 314.407 1.557 0 40 DDAB CCc1nnsc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 97198429 QUSFIUSGJWUVFL-SECBINFHSA-N 320.422 1.560 0 40 DDAB Cc1nc(CNC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)no1 96412421 ZFBWHQVOSLBBKL-MRVPVSSYSA-N 322.752 1.466 0 40 DDAB CCCCC(=O)N1C[C@H]2CN(Cc3cccnc3)C(=O)[C@H]2C1 96245086 ORBWPAJWDBAECN-GJZGRUSLSA-N 301.390 1.689 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 96042907 BTNRUKKABYUNBT-AEGPPILISA-N 307.394 1.359 0 40 DDAB Cn1cc(CN2CCCN(c3nnc(C(F)F)o3)CC2)cn1 330345377 FDBKVRWADYFGHY-UHFFFAOYSA-N 312.324 1.453 0 40 DDAB CO[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1 247908023 XOLKMILAXBJNSN-INIZCTEOSA-N 315.373 1.709 0 40 DDAB C[C@@H]1C[C@H](NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CN1C 245344193 XZZBGJNNIZOVPK-SPUZQDLCSA-N 303.450 1.304 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H]2CCn3nccc3C2)cc1C 244986310 JPZRRHHLSYBDOO-GFCCVEGCSA-N 321.402 1.493 0 40 DDAB CCN1CC[C@@H](N(C)S(=O)(=O)C2CCOCC2)C[C@H]1C 245344102 XNMXHWWGRQEBCL-CHWSQXEVSA-N 304.456 1.300 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CCOC[C@@H]1c1ccn[nH]1 257325870 WUUGZSHSYQAFIJ-OAHLLOKOSA-N 315.373 1.869 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1ccnc(NC)c1 257317070 VIFUMAFPNITDMC-CYBMUJFWSA-N 312.439 1.847 0 40 DDAB O=C(CN1CCOCC1)N1CCC(Cc2ccncc2)CC1 257210567 BVEQFOWVQGOXHJ-UHFFFAOYSA-N 303.406 1.195 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 257320483 VXADIRPXXGBHSD-NSHDSACASA-N 306.391 1.707 0 40 DDAB Cc1cc([C@@H](C)NC(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C)o1 252507943 WXUGWGRDOKGMOG-PWSUYJOCSA-N 314.407 1.786 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@](O)(CN2CCCC2)C1 257220572 DLGMVGLWWZAGJC-GOSISDBHSA-N 313.401 1.841 0 40 DDAB C=CC(=O)N1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 585292263 KCMUMEDJIRGZAD-CYBMUJFWSA-N 309.373 2.507 0 40 DDAB COc1cccc(C(=O)N2CCC[C@](CCC(N)=O)(OC)C2)c1 585276789 JATLDDIGSOZQGX-QGZVFWFLSA-N 320.389 1.582 0 40 DDAB CCC(C)(C)NC(=O)CS(=O)(=O)Cc1c(C)noc1C 58595952 SKNWHQSRRXBJJL-UHFFFAOYSA-N 302.396 1.511 0 40 DDAB Cc1ccc([C@H]2C[C@@H](C)CCN2CC(=O)N2CCNC2=O)o1 72895854 PMPQGUKPSYHDJU-WCQYABFASA-N 305.378 1.913 0 40 DDAB O=C([C@@H]1NCC[C@H]2CCCC[C@@H]21)N1CCCn2nncc2C1 1580488667 IIFCQMSKCSRDPJ-VHDGCEQUSA-N 303.410 1.179 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)C2(O)CCCCC2)c1 86532964 KGSQLGQLGGFHOE-UHFFFAOYSA-N 301.350 1.511 0 40 DDAB CCn1ncc(Br)c1C(=O)N1C[C@H](C)O[C@H](C)C1 18126772 JORZEFPZTNUJEM-DTORHVGOSA-N 316.199 1.915 0 40 DDAB O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCOCC1 38832741 BWRXJRPVXUUJFO-HNNXBMFYSA-N 306.381 1.897 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(C)c2)C1=O 5006531 MJNLHVSEBWUBNU-YRNVUSSQSA-N 304.302 1.069 0 40 DDAB CC(C)CN[C@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258717 AEOFCAILVSJIPT-GFCCVEGCSA-N 300.305 1.992 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2cccnc2Cl)n1 15854635 SUWLOZRJLLKLSD-UHFFFAOYSA-N 311.754 1.131 0 40 DDAB Cc1cc(C)n(CC(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)n1 19748117 QWJXMWHZVMWNDS-OAHLLOKOSA-N 318.421 1.361 0 40 DDAB CCOC(=O)C(=O)c1sc2nc(N)nc(SC)c2c1N 5795800 HPTJPDKHWDVDQZ-UHFFFAOYSA-N 312.376 1.323 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1C 100187807 COZJIDVUGQIJMN-DFEHZGFQSA-N 313.353 1.499 0 40 DDAB CC(C)(C)C(=O)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9120810 YWVTYJHTKHAPBG-NSHDSACASA-N 320.345 1.903 0 40 DDAB CC(C)(C)OC(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 238199960 NJMJZMDADFYIBV-OAHLLOKOSA-N 316.398 1.883 0 40 DDAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1 9690605 VQURIRPBGACZNX-UHFFFAOYSA-N 324.402 1.372 0 40 DDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C(C)C 36185429 BRJAKQDFXSZHNU-UHFFFAOYSA-N 306.362 1.901 0 40 DDAB CN([C@@H]1CCCN(c2ncncc2F)C1)S(=O)(=O)C1CC1 1888844371 WUNGIBGXCKBYMK-SNVBAGLBSA-N 314.386 1.009 0 40 DDAB O=C(c1ccc2nc[nH]c2c1)N1CC[C@](O)(CN2CCCC2)C1 1848356790 MKVOAQHTCCUMPY-KRWDZBQOSA-N 314.389 1.236 0 40 DDAB O=C([C@H]1CCOC1)N1CCn2c(-c3cccs3)cnc2C1 1565556218 PYDMOMXFLIINQU-NSHDSACASA-N 303.387 1.990 0 40 DDAB CCOC(=O)CCC(=O)Nc1c(C)nc2scc(C)n2c1=O 8931690 QTUUXKSEYZDJGQ-UHFFFAOYSA-N 323.374 1.655 0 40 DDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccno3)sc2c1 10253932 WQIKPJLEHPQPPF-UHFFFAOYSA-N 323.355 1.940 0 40 DDAB COc1ccnc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)n1 2086861057 BUSAJJYIPGYWGR-VXGBXAGGSA-N 315.352 1.592 0 40 DDAB Cn1cc(-c2noc(CNc3ncnc4ccsc34)n2)cn1 575618111 ZVQNDHIZXIMVPC-UHFFFAOYSA-N 313.346 2.087 0 40 DDAB Cc1[nH]c2nc(C(=O)NCc3ccccc3)nn2c(=O)c1Cl 100486581 GRKXCILPPTZNAS-UHFFFAOYSA-N 317.736 1.309 0 40 DDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 103505577 APBMGWJHCNYEHN-ZFWWWQNUSA-N 324.340 1.017 0 40 DDAB Cc1nc(CNC(=O)N[C@H]2CCCc3c2cnn3C)oc1C 50147339 UEROGORQWDXHNA-LBPRGKRZSA-N 303.366 1.902 0 40 DDAB Cc1cc(NS(=O)(=O)c2cn(C)c(C)n2)ccc1C(=O)O 50253349 VFXCWGADYLXIJB-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(F)c(Cl)c1 40386576 HIYGWJHQYHTMCX-ZETCQYMHSA-N 323.715 1.668 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 31402444 XOOFGYCLFJEGTJ-KGLIPLIRSA-N 312.373 1.441 0 40 DDAB O=C1N[C@]2(CCSC2)C(=O)N1CCOc1cccc(F)c1 32319738 MHZUFQDZYANFRA-AWEZNQCLSA-N 310.350 1.632 0 40 DDAB CCc1nc(CN2CCC[C@H](NC[C@@H]3CCCCO3)C2)no1 69570367 LLAZDXJNPFMKBG-KBPBESRZSA-N 308.426 1.755 0 40 DDAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCC1CC1 29809636 KYDAYQQNTNRCBH-UHFFFAOYSA-N 321.402 1.107 0 40 DDAB CC(C)[C@H](C)NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 21577438 MOKSSZSSZXNRMJ-NSHDSACASA-N 323.418 1.601 0 40 DDAB CCOC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F 1027235 BFVSJSUSICBTMB-UHFFFAOYSA-N 305.256 1.509 0 40 DDAB CC(C)c1cnc(CN(C)[C@@H]2CCN(CCn3cncn3)C2)o1 76047874 BTGFCOVFGLHCBD-CQSZACIVSA-N 318.425 1.596 0 40 DDAB CC(C)Nc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 1723606 PBVKDMHXFIZKJH-GFCCVEGCSA-N 308.334 1.555 0 40 DDAB O=C(CCc1ccco1)NC[C@H]1CCCN1c1cccnn1 78821020 TXUOGPPQZXJEBA-CYBMUJFWSA-N 300.362 1.787 0 40 DDAB C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1N(C)C 78894475 HWRNCRDFFIDYSY-YPMHNXCESA-N 300.358 1.815 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCC(NC(=O)c2ccccc2)CC1 32860391 WFDHFXMINUZYOU-ZDUSSCGKSA-N 315.417 1.548 0 40 DDAB O=S(=O)(NCc1cccnc1)c1ccc(C(F)(F)F)cn1 79108289 FUTILFJEEDYBDM-UHFFFAOYSA-N 317.292 1.974 0 40 DDAB Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 4276485 SZZQJIZRFDUFPG-MRVPVSSYSA-N 314.432 1.126 0 40 DDAB C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1 4516766 KRRNQCYZWOZMKO-VIFPVBQESA-N 307.325 1.333 0 40 DDAB CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)N(C)C1=S 479007 ZUJZYCNJCQVTDX-XFXZXTDPSA-N 304.371 1.893 0 40 DDAB C[C@@H](N[C@@H]1CCc2ncnn2C1)c1nnc(-c2ccccc2)o1 69654134 KACPGBBVDVZYQZ-DGCLKSJQSA-N 310.361 1.994 0 40 DDAB CN(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 22606487 ODHDFSCEMUWFKZ-UHFFFAOYSA-N 321.196 1.279 0 40 DDAB Cn1ncc2c(NC[C@H](CO)Cc3ccc(F)cc3)ncnc21 42103541 WXWHSOWPKLJXKS-GFCCVEGCSA-N 315.352 1.766 0 40 DDAB COc1cccc(N2CCN(c3nccc(OC)n3)CC2)c1 9117822 CMXAQHHOTBIAEW-UHFFFAOYSA-N 300.362 1.820 0 40 DDAB Cc1nnc2n1CCN(C(=O)Cc1csc(C(C)(C)C)n1)C2 69770088 FEGGHSCNAMKSNM-UHFFFAOYSA-N 319.434 1.925 0 40 DDAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccccn1 12526480 DISAVQXXCVEEPE-UHFFFAOYSA-N 324.134 1.806 0 40 DDAB COc1cccc(N2CCN(C(=O)c3cnn(C)c3C)CC2)c1 24577488 WNEXMXPQLFOGBO-UHFFFAOYSA-N 314.389 1.700 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCCN(c2cccnn2)CC1 106774851 LKIRABQNEKYKDS-ZIAGYGMSSA-N 312.373 1.912 0 40 DDAB COC1CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)CC1 35296093 ICSVNEQCTQUZRQ-UHFFFAOYSA-N 313.375 1.113 0 40 DDAB CCCCCCOC(=O)[C@@H](CC)Sc1n[nH]c(=O)[nH]c1=O 1747408 BEYBDSIHBGJQNB-SECBINFHSA-N 315.395 1.452 0 40 DDAB CC1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 48261981 XQIRKOWYGMPSNG-WXRRBKDZSA-N 317.455 1.288 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4cc(C)on4)C[C@@H]23)n1 107714108 KFIVABFMYFKVDL-NFAWXSAZSA-N 318.377 1.612 0 40 DDAB CN1CCN([C@H](CNc2ncccn2)c2cccs2)CC1 44866665 ONIQZILLUVWETG-CYBMUJFWSA-N 303.435 1.939 0 40 DDAB CC(C)N1CCC[C@@H](CNC(=O)CCNc2ncccn2)C1 58293571 JCBYTSJZZIXFSJ-AWEZNQCLSA-N 305.426 1.515 0 40 DDAB CC(C)[C@@H](C(=O)NCc1cccnc1)N1C[C@H](C)O[C@H](C)C1 58292520 QMNAMPFHFZDVBY-LZWOXQAQSA-N 305.422 1.832 0 40 DDAB Cc1occc1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 44972568 PFFPHGXJRAQCDM-GFCCVEGCSA-N 314.407 1.522 0 40 DDAB Cc1cc(C)n(CCCNCc2c(C)nn(C)c2N(C)C)n1 58392190 DOBGHTHFRPPYRC-UHFFFAOYSA-N 304.442 1.788 0 40 DDAB Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)n(C)n1 58393092 CCGCLDSLRADDHI-CQSZACIVSA-N 302.378 1.888 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1OC(F)F 58305442 SDBFDOPBSAUENC-MRVPVSSYSA-N 322.333 1.091 0 40 DDAB Cc1ccc(C(C)C)c(OC[C@H](O)CN2C(=O)CNC2=O)c1 28297069 ULPFTDDPRVFNTO-GFCCVEGCSA-N 306.362 1.410 0 40 DDAB C[C@H]1CCc2c(C(=O)N3CCO[C@@H](C(=O)O)C3)csc2C1 59226898 DYQXSKDMKSZKQB-JOYOIKCWSA-N 309.387 1.799 0 40 DDAB O=C(NCC1(c2cccc(F)c2)CCCCC1)c1n[nH]c(=O)[nH]1 63112199 HESAOAXYNIJPTG-UHFFFAOYSA-N 318.352 1.869 0 40 DDAB CCC(=O)N[C@@](NNc1ccccc1)(C(=O)OC)C(F)(F)F 4199122 OICDDDILILKJCG-GFCCVEGCSA-N 319.283 1.561 0 40 DDAB CCCNC(=O)CN(C)CC(=O)NCc1cc(C)c(O)c(C)c1 6083694 YNDQVKYTDMTGLX-UHFFFAOYSA-N 321.421 1.083 0 40 DDAB CC(C)c1ncncc1C(=O)NCCN1C[C@H](C)O[C@H](C)C1 65452630 QEDHZHSEHAJCOA-BETUJISGSA-N 306.410 1.439 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 65536946 KSXSDUDMCHREDX-JTQLQIEISA-N 318.764 1.473 0 40 DDAB S=c1n(CN2CCOCC2)nnn1-c1ccc(Cl)cc1 14137812 DJZNWKPXZGRIDB-UHFFFAOYSA-N 311.798 1.741 0 40 DDAB NC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 14114499 PPGVMPWYLYINQV-UHFFFAOYSA-N 301.327 1.434 0 40 DDAB COCCCN(C)C(=O)NCc1ccc(Cn2cncn2)cc1 65624334 SJQVTNBPMDYEHL-UHFFFAOYSA-N 317.393 1.504 0 40 DDAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccncc2)cc1 4869506 HFXAUMBRBRIKGG-UHFFFAOYSA-N 301.327 1.907 0 40 DDAB NC(=O)c1cc(OC2CCN(Cc3ccccn3)CC2)ccn1 93260873 SHNKPURQTRHZSH-UHFFFAOYSA-N 312.373 1.619 0 40 DDAB CC(C)[C@H](Sc1nnc(NC2CC2)s1)C(=O)NC(N)=O 7577608 IOGPCAWZIHGXRA-ZETCQYMHSA-N 315.424 1.424 0 40 DDAB NC(=O)c1ccccc1OCC(=O)NCCCc1ccccc1 7734741 CLQRNVFLDUSPAC-UHFFFAOYSA-N 312.369 1.913 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)O)C2)cc1C 91293772 MLORAPDGBHXIBN-LBPRGKRZSA-N 313.375 1.168 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 70015655 VKMJRDCJGBTWSC-CYBMUJFWSA-N 324.446 1.350 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cn3cccnc3n2)c1 70004409 CGOPCCYGFSGPJK-ZDUSSCGKSA-N 310.361 1.539 0 40 DDAB COC(=O)c1ccc(Nc2nc(=O)c(C(C)(C)C)n[nH]2)cc1 16918363 LRTKXDREXIZOLU-UHFFFAOYSA-N 302.334 1.993 0 40 DDAB C[C@H]1CN(Cc2cccnc2)CCN1c1ccc2nncn2n1 69458639 NYLVOWWHMQJUMG-ZDUSSCGKSA-N 309.377 1.230 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c(=O)n1C 69432089 TWQPLQBYUYWALV-CYBMUJFWSA-N 300.362 1.368 0 40 DDAB O=C(Cn1ccccc1=O)Nc1ccnn1CCc1ccccc1 69434980 KCYLOPHJEWRBJL-UHFFFAOYSA-N 322.368 1.926 0 40 DDAB Cc1cc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)n(C)n1 91532703 XMEKMSZVTAPDEG-UHFFFAOYSA-N 318.356 1.617 0 40 DDAB Cc1nc(NCCc2n[nH]c(-c3ccco3)n2)c2cnn(C)c2n1 72287533 GQBHPPIMFPHFCQ-UHFFFAOYSA-N 324.348 1.704 0 40 DDAB COc1cccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)c1F 96485577 STPWZUHLRGDXRE-UHFFFAOYSA-N 320.364 1.919 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1OCCN1CCN(C)CC1 71883026 MZQMEDZVVGZREY-LSDHHAIUSA-N 317.433 1.907 0 40 DDAB CN(C[C@H]1CCCCO1)C(=O)c1ccccc1-n1ccnn1 97107244 YFBSZIFPDZICTD-CYBMUJFWSA-N 300.362 1.908 0 40 DDAB C[C@@H](NCC(=O)NCC(F)(F)F)[C@@H]1COc2ccccc21 97112668 NLCJCPRIDRUGHA-KOLCDFICSA-N 302.296 1.819 0 40 DDAB Cc1ncc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)s1 84067846 CPHUWMSHIKEFPE-UHFFFAOYSA-N 323.403 1.842 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)CNC(=O)c1cnccn1 72405471 UKZLAXSPJZTMDN-CYBMUJFWSA-N 312.373 1.344 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CNC1=O)C12CC3CC(CC(C3)C1)C2 72528933 GKZJYYRYZRBDKC-DKHPWKACSA-N 319.405 1.259 0 40 DDAB CCN(CC)C(=O)N1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 95407275 OANZTUSFCCEUNR-OAHLLOKOSA-N 324.469 1.465 0 40 DDAB O=C(CCc1ccccn1)N1CCC[C@](O)(C(F)(F)F)C1 98016265 QNVNSJWPZOZDPF-CYBMUJFWSA-N 302.296 1.930 0 40 DDAB CN1C[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC1=O 95954333 NLJCJISNKHOGER-TZMCWYRMSA-N 307.369 1.023 0 40 DDAB CN1C[C@H](C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1=O 89374874 UADGHLMNQQHHLN-SNPRPXQTSA-N 302.374 1.581 0 40 DDAB COC(=O)[C@H](NC(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1 89371287 UURLSFLLEHQQCY-JOYOIKCWSA-N 315.728 1.846 0 40 DDAB Cc1ccc(N2CCC[C@@H]2COC(=O)c2cccn2C)nn1 89652323 RIVHFCICWMRNNW-CYBMUJFWSA-N 300.362 1.949 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN([C@@H]2C[C@H](C)OC2=O)C1 89702313 FVBBHATXDMZVCR-ZLKJLUDKSA-N 321.377 1.110 0 40 DDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)c3cccc(F)c3)CCO2)n1 89708935 FJTNJIRPSPPAPD-UONOGXRCSA-N 306.341 1.359 0 40 DDAB NC(=O)Cn1cc(NC(=O)N[C@@H]2CCOc3ccccc32)cn1 89857804 FEJQBHFTLBVJBT-GFCCVEGCSA-N 315.333 1.014 0 40 DDAB Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)s1 557095810 VZRJAUTWLFRULD-GHMZBOCLSA-N 314.432 1.641 0 40 DDAB COc1cc2nc(NN)n(Cc3ccco3)c(=O)c2cc1OC 408712887 ZDWRAPYQLJVLDX-UHFFFAOYSA-N 316.317 1.341 0 40 DDAB O=C1CCCCCN1CCCNS(=O)(=O)c1ccccc1 32885553 HGUWFZRFLZVDNY-UHFFFAOYSA-N 310.419 1.758 0 40 DDAB Cc1ccncc1S(=O)(=O)NC(=O)c1cc2n(n1)CCCC2 408501762 PVAZPIMDFZGJIW-UHFFFAOYSA-N 320.374 1.042 0 40 DDAB C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCNS(C)(=O)=O 548166271 LVAFBDLDTJMMTQ-RKDXNWHRSA-N 316.345 1.115 0 40 DDAB C[C@H](CC(=O)N[C@H]1CN(C)NC1=O)c1c[nH]c2ccccc12 519516955 AFHIAAKSAXEBGB-YGRLFVJLSA-N 300.362 1.123 0 40 DDAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCN(C)CC2)n1 72364712 RPJZZIYJAOPBDE-CQSZACIVSA-N 303.410 1.220 0 40 DDAB CC(C)C(=O)N1CCN(c2ccc(N)cc2-n2cnnc2)CC1 70461822 RAUQLPWRSHCDLP-UHFFFAOYSA-N 314.393 1.154 0 40 DDAB CN(CCO)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391655 LXVYCOAIEUPCKM-INIZCTEOSA-N 306.406 1.959 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218443079 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C[C@@H](C(=O)NC(N)=O)N1CCc2cc(Cl)cc(Cl)c2C1 84132851 PAQMKALUEJCAEN-ZETCQYMHSA-N 316.188 1.935 0 40 DDAB Cc1nn(C)c(S(=O)(=O)N(C2CC2)C2COC2)c1C(F)F 333173967 OFCXKSKMCWHEOP-UHFFFAOYSA-N 321.349 1.218 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)N1CCOC[C@@H]1C1CC1 96491964 FZUXTHLPVYRICA-MRXNPFEDSA-N 320.437 1.790 0 40 DDAB CN1CCN(C[C@@H](NC2CCOCC2)c2ccccc2)CC1 95421743 LCVGMOKUMSZDJT-GOSISDBHSA-N 303.450 1.744 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1F 96413607 XSMFZKDQXWSNIX-BJOHPYRUSA-N 314.332 1.817 0 40 DDAB c1cn2c(n1)CN(C[C@@H]1CCOC1)C[C@@H](CN1CCCC1)C2 96188389 PCQNUJGXYAWLLT-JKSUJKDBSA-N 304.438 1.447 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)cn1 96480800 YRRMDJQQKYXWCO-CHWSQXEVSA-N 309.435 1.985 0 40 DDAB CN(Cc1nnn(Cc2ccccn2)n1)C(=O)c1ccccc1 96418314 SDRYBZMDJROLBB-UHFFFAOYSA-N 308.345 1.389 0 40 DDAB CCN(CC)C[C@H]1CN(C(=O)c2ccc[nH]2)Cc2nccn2C1 96188290 CAKVBKVDBIUWSM-CQSZACIVSA-N 315.421 1.825 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1cnc3ccccc3n1)CC2 97198393 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O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccno1 90616201 ISLHBNGOWTYXFI-UHFFFAOYSA-N 303.318 1.550 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 575405673 ZHKGSODBAWHVTP-GXTWGEPZSA-N 305.399 1.723 0 40 DDAB CN(C)C(=O)NC[C@H]1CN(Cc2ccccc2)Cc2ccnn21 585112737 USYWQJYLJFUHAX-INIZCTEOSA-N 313.405 1.711 0 40 DDAB CCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585095930 CTZMPYFSKDEXJF-CQSZACIVSA-N 316.361 1.476 0 40 DDAB Cc1cc(C(=O)N2CC(F)(F)C[C@@]3(CCN(C)C3=O)C2)on1 585093192 IDTIWWAZXMIAPL-ZDUSSCGKSA-N 313.304 1.313 0 40 DDAB O=C(Cn1ccnc1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585277716 OHLDLJUSQCFAPF-MRXNPFEDSA-N 319.336 1.065 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2C(=O)C2(F)CCC2)N1Cc1ccncc1 585108118 PBXPLJUTRFHFAU-KGLIPLIRSA-N 317.364 1.676 0 40 DDAB CSc1ncccc1C(=O)N1CC(Nc2ccncn2)C1 824959565 PIVZDPJKTVKLMP-UHFFFAOYSA-N 301.375 1.530 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@@H]2CCC[C@@H]21 53373091 SSVQSQWAUREFJR-NWDGAFQWSA-N 319.386 1.238 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@@H]1CCN(c2ccccc2)C1 58290685 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COc1cc(C(=O)Nc2ccc(C)cn2)ccc1OCC(N)=O 24154012 CXXYTLSYKPCJQO-UHFFFAOYSA-N 315.329 1.515 0 40 DDAB CCC(C)(C)NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 29950546 XFVDCNWGTVPWDV-UHFFFAOYSA-N 323.784 1.387 0 40 DDAB O=C(O)c1ccc(CCNS(=O)(=O)c2ccsc2)cc1 574777416 GUKXRLHMSBTAHW-UHFFFAOYSA-N 311.384 1.967 0 40 DDAB CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@@H]2CC1 2056223480 NNRSKZFJAFHLGQ-ZNMIVQPWSA-N 321.465 1.291 0 40 DDAB COCCN1CCC[C@@]12CCCN(C(=O)c1ccnn1C)CC2 1565545909 OENOVFAJIDBHSA-QGZVFWFLSA-N 320.437 1.527 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CC[C@H](Oc2cnccn2)C1 225791943 OSVCKMYCFBKWNO-ZDUSSCGKSA-N 323.356 1.506 0 40 DDAB CC1CCN(C(=O)CN2CCC[C@@H](NC(=O)C3CC3)C2)CC1 1006523053 RZWFPLMTBJZRRD-OAHLLOKOSA-N 307.438 1.236 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)o1 40086725 ADPBNUZUSCBYFF-UHFFFAOYSA-N 300.380 1.592 0 40 DDAB Nc1nccnc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 31269485 YQBLITXRDIMUBG-HNNXBMFYSA-N 312.373 1.645 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(S(C)(=O)=O)cc1 31390734 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COCCn1c(C(=O)NC2CCCC2)nc2ccccc2c1=O 32104258 KQKQJHGHVIWTAX-UHFFFAOYSA-N 315.373 1.715 0 40 DDAB CC[C@H](C)Oc1cccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 51643791 AEPNVUTZFCVVKA-SMDDNHRTSA-N 321.377 1.582 0 40 DDAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nncs1 29641118 YPUHURAOVZZWTP-UHFFFAOYSA-N 304.253 1.357 0 40 DDAB Cc1oc(C)c(C(=O)OCC(=O)N[C@@H]2CCCCNC2=O)c1C 46247192 LYVLJJLSBSIMLH-GFCCVEGCSA-N 322.361 1.147 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 52360083 BLNAEPNXWBMCTJ-LLVKDONJSA-N 300.366 1.096 0 40 DDAB Cc1cc(NC(=O)c2c(C)c(C)n[nH]c2=O)nc(C(C)C)n1 69696527 PVSYTUNUORTIDM-UHFFFAOYSA-N 301.350 1.861 0 40 DDAB NC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 41161965 KNKBBHJIXSZFFX-SECBINFHSA-N 324.324 1.054 0 40 DDAB Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]1C(N)=O 79060365 UXJQHMRBUALFTF-LLVKDONJSA-N 324.427 1.848 0 40 DDAB O=C(NCCOc1cccc(F)c1)[C@@H]1CC(=O)N(C2CC2)C1 32914634 WPCLHZNGGNTIIQ-LLVKDONJSA-N 306.337 1.332 0 40 DDAB CN(C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1 4120312 JDGSFNUOMLDATN-AZQPONJRSA-N 324.380 1.847 0 40 DDAB CC(C)N1C[C@@H](NC(=O)NCc2ccc3c(c2)OCO3)CC1=O 72282610 HZTTXJHMPRIBBQ-LBPRGKRZSA-N 319.361 1.224 0 40 DDAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 7581103 GZWWULMAAWLYJL-NSHDSACASA-N 322.361 1.012 0 40 DDAB C[C@@H](OC[C@H](O)CNC(=O)Nc1nncs1)c1ccccc1 46871271 IDFFXMGZICGFMT-ZYHUDNBSSA-N 322.390 1.798 0 40 DDAB Cc1cccnc1CN1C[C@H](C(=O)NCC2CC2)[C@H]2OCC[C@H]21 108527726 KLOBMINGSZEBQR-USXIJHARSA-N 315.417 1.506 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)c1ccnc(-n2cncn2)c1 53807318 VTDKXDOQOCDHJO-UHFFFAOYSA-N 312.333 1.539 0 40 DDAB CC(=O)N1CCc2cc(C(=O)NCCCn3cncn3)ccc21 41862826 JSLAJBCQVFUDFT-UHFFFAOYSA-N 313.361 1.007 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)COc1ccccc1 53434327 BAHAKIJJVKZAAJ-HNNXBMFYSA-N 320.389 1.209 0 40 DDAB COc1ccc(CNC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 58863280 LEUPOEAGSVNLCC-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)N[C@H](C)c2nncn2C)C1 106924243 DWFWLSUMTWXVAZ-HSMVNMDESA-N 323.441 1.753 0 40 DDAB CC[C@@H]1CN(CCOc2cccc(F)c2)CCN1C[C@H](C)O 106906841 NAMCTFSJKVFXLY-GOEBONIOSA-N 310.413 1.982 0 40 DDAB CO[C@@H](C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 178093348 KTVYNUWFAONNFJ-NVXWUHKLSA-N 318.417 1.555 0 40 DDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccnc(-n2cncn2)c1 55996635 QEQGGZSVKGMQFH-ZIAGYGMSSA-N 312.377 1.019 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)n1 69900973 XPCFHFGNMOFSSB-OAHLLOKOSA-N 301.394 1.869 0 40 DDAB Cc1ncc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)s1 44375375 XZHSEWVSZOXBAJ-UHFFFAOYSA-N 312.372 1.628 0 40 DDAB O=C(Cn1nnc2ccccc21)NCCOc1ccccc1F 57633676 RZSSNMWNYQZIHZ-UHFFFAOYSA-N 314.320 1.766 0 40 DDAB O=C(Nc1ccncc1)N[C@H]1CS(=O)(=O)c2ccccc21 72289127 LOTGMFUDAVAHHI-LBPRGKRZSA-N 303.343 1.732 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 72235694 PERCFLLMAJEGPU-UONOGXRCSA-N 302.382 1.516 0 40 DDAB C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)N1CCCC1 48234593 UVZPAVQSTXKOEF-MRVPVSSYSA-N 315.167 1.945 0 40 DDAB C[C@H](C(=O)NCCc1ccc2ccccc2c1)S(C)(=O)=O 48218776 BAQJRJYMEKXIAS-GFCCVEGCSA-N 305.399 1.932 0 40 DDAB O=C(NCc1ccccc1Cl)NC[C@@H]1CCS(=O)(=O)C1 44910300 CUWZUYDVRBERDG-JTQLQIEISA-N 316.810 1.574 0 40 DDAB O=S(=O)(CCCc1ccccc1)Cc1nnnn1C1CC1 44954044 PSDOSPMGBXGWRV-UHFFFAOYSA-N 306.391 1.556 0 40 DDAB CC(=O)N[C@H](CC(=O)Nc1cc(C)nn1C)c1cccs1 44915290 OPRZPJWLTPDWBK-LLVKDONJSA-N 306.391 1.996 0 40 DDAB C[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)[C@H]1CCCO1 42059464 WVSARTRJYVHZSI-WCQYABFASA-N 317.345 1.187 0 40 DDAB COc1cc(C(=O)NO[C@@H]2CCCCO2)cc(OC)c1OC 58393933 MUSRNSHMIJRWIZ-CYBMUJFWSA-N 311.334 1.900 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](O)c1ccc(F)c(F)c1 58392393 YSWUTKZSOIVFKM-HNNXBMFYSA-N 324.375 1.896 0 40 DDAB C[C@H](C(N)=O)N1CCN(C(=O)CCCc2ccccc2)CC1 58378455 LPFWUYBTOZGADC-CQSZACIVSA-N 303.406 1.027 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N(C)CC(=O)NC(C)(C)C 58315656 VFXHZPIDAHYULQ-AWEZNQCLSA-N 310.369 1.886 0 40 DDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 36382180 LSKHSLGRQVEDGT-UHFFFAOYSA-N 318.421 1.433 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccccn1 28780525 MMRCEVPCXOZYCW-GFCCVEGCSA-N 311.341 1.684 0 40 DDAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ncnc2[nH]cnc12 11135917 GSJSOSWRVKQWEY-SECBINFHSA-N 311.301 1.537 0 40 DDAB C[C@@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)CCO1 48342108 UCJBVGDURLMDGS-SNVBAGLBSA-N 323.374 1.202 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 29191934 RCAOJEKIGJAWKR-JTQLQIEISA-N 318.345 1.119 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 11660857 DPVRQGNFMYDEPM-AWEZNQCLSA-N 324.402 1.127 0 40 DDAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)NC(C)C 3444945 XDUDQFNJWIEGHI-UHFFFAOYSA-N 307.394 1.480 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NC[C@H](C)N(C)C)cc1C(=O)O 38088104 STRUAHFTFXGFLM-NSHDSACASA-N 314.407 1.230 0 40 DDAB COc1ccccc1OCCC(=O)N1CCC[C@H](C(=O)O)C1 13170591 WOMFYXLQOFKQIM-LBPRGKRZSA-N 307.346 1.787 0 40 DDAB Cc1nc(C)n(C[C@H](O)COCc2ccc3c(c2)OCO3)n1 92197707 ISCVYSQUXOTVKU-ZDUSSCGKSA-N 305.334 1.201 0 40 DDAB CC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 8734591 NPWDEMKHXZKVFO-UHFFFAOYSA-N 312.369 1.909 0 40 DDAB O=C1NC(=O)c2cc(NC(=O)[C@H]3COc4ccccc4O3)ccc21 4284084 UTADGGLIHPQPNU-CQSZACIVSA-N 324.292 1.349 0 40 DDAB CN1CCO[C@H](CNC(=O)CCCOc2ccccc2F)C1 65496309 RSKITANINOZLKP-CYBMUJFWSA-N 310.369 1.432 0 40 DDAB Cc1cccc(NC[C@@H]2CCN(CCN3CCCC3=O)C2)n1 65502671 PKMNYLAOMUIZAI-HNNXBMFYSA-N 302.422 1.746 0 40 DDAB CC1(C)CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 65610297 GEQKDQBJXKZOMS-UHFFFAOYSA-N 315.373 1.481 0 40 DDAB O=C(NCCNC(=O)c1ccc2ccccc2n1)c1cccnc1 8991246 NZUUNJHNQRDWDX-UHFFFAOYSA-N 320.352 1.790 0 40 DDAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC(N)=O 5537772 QYLWMGDTVNDFJF-UHFFFAOYSA-N 303.274 1.002 0 40 DDAB CCCCNC(=S)NNS(=O)(=O)c1ccc(C)cc1 5523517 FSTQPGANNIDOBS-UHFFFAOYSA-N 301.437 1.453 0 40 DDAB CCn1nc2ccc(S(=O)(=O)N3CCCCCC3)cn2c1=O 67245775 XNNQECPDLPILSM-UHFFFAOYSA-N 324.406 1.081 0 40 DDAB C[C@@H](CC1CCOCC1)N[C@@H]1CCN(c2cnn(C)c2)C1=O 90017483 XXOXSJUMSGMBNH-SWLSCSKDSA-N 306.410 1.320 0 40 DDAB NC(=O)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 7195856 HUYDSMWKTICLCC-UHFFFAOYSA-N 323.352 1.357 0 40 DDAB CCc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 7398579 JSLBBBZFAKSATM-KRWDZBQOSA-N 315.373 1.908 0 40 DDAB O=C1CC[C@@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)N1 81287426 WTPBITWEXGUJMA-OCCSQVGLSA-N 304.415 1.906 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(CN(C)C)cc1 8060067 GXFQCOKWRAGWJM-UHFFFAOYSA-N 323.418 1.832 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@@H](O)COCc1ccccc1)CC2 70020948 QVUWAGTUZIRFMB-HZPDHXFCSA-N 316.405 1.069 0 40 DDAB O=C(NC[C@H](NC(=O)c1cccnc1)C1CC1)c1cccnc1 69438515 UKFCFHLORUVXHX-HNNXBMFYSA-N 310.357 1.415 0 40 DDAB Cn1ccnc1CN1CCN(c2ncnc3sccc23)CC1 69455796 ARWXVCNGUKZODM-UHFFFAOYSA-N 314.418 1.747 0 40 DDAB CC(C)(C)c1cc(NC(=O)CN2CCc3cncnc3C2)on1 69489492 PPPMBGGCSOBLCV-UHFFFAOYSA-N 315.377 1.759 0 40 DDAB Cc1noc(Cl)c1CC(=O)N[C@@H](Cc1ccccc1)C(N)=O 69486792 STLFFXLRJRJSCA-LBPRGKRZSA-N 321.764 1.392 0 40 DDAB Cc1ccc(CCC(=O)NCC(=O)Nc2ccn(C)n2)cc1 69536312 VESIHDXXCKPGNZ-UHFFFAOYSA-N 300.362 1.416 0 40 DDAB Cc1cn2nc(N3CCC[C@H]3Cn3nc(C)nc3C)sc2n1 69563665 NDMIDUNBIMSBJD-LBPRGKRZSA-N 317.422 1.977 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)c3cnn(CC)c3)C2)no1 72284680 SCCDYJUJPDWDDI-LLVKDONJSA-N 303.366 1.868 0 40 DDAB CN(Cc1ccc(Cl)s1)C(=O)CNCCn1cccn1 72267835 YDPXOXHQJGNDPR-UHFFFAOYSA-N 312.826 1.846 0 40 DDAB Cc1cnc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)o1 84259375 NYKASABWABNNJO-ZDUSSCGKSA-N 303.366 1.110 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CSc1ncnn1C 97114375 DISOAJDZEHJJDU-NEPJUHHUSA-N 312.439 1.619 0 40 DDAB O=S1(=O)CC[C@@H](CNCc2c(Cl)nc3ccccn23)C1 71825188 QDKKBLZWHPSNBI-JTQLQIEISA-N 313.810 1.512 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)CNCCn1cccn1 71879274 CEEKMLOLDINOLE-UHFFFAOYSA-N 314.389 1.461 0 40 DDAB O=C(OC1CCCCC1)C1=CC=CN2CCS(=O)(=O)N=C12 71800506 BIEJDOLOXDGVGX-UHFFFAOYSA-N 310.375 1.360 0 40 DDAB C[C@H](C(=O)N1CCCN(c2nccs2)CC1)n1cncn1 71830812 UECBFUAAFMEUMZ-LLVKDONJSA-N 306.395 1.035 0 40 DDAB C[C@@H](CC(=O)NC(CO)CO)c1ccccc1Br 97113061 QRSMVGDNHSWGOU-VIFPVBQESA-N 316.195 1.412 0 40 DDAB Cc1n[nH]cc1CNCc1ccc(CN2CCOCC2)cc1 97159305 LDTDRCHRPRDAMY-UHFFFAOYSA-N 300.406 1.840 0 40 DDAB O=C(CCNC(=O)c1cccc2cn[nH]c12)NCc1ccccn1 97109042 IPWXOSIZSIRUJT-UHFFFAOYSA-N 323.356 1.394 0 40 DDAB CC(C)Cc1cc(C(=O)NCCn2cnnc2C2CC2)[nH]n1 71911533 FJVXIHXKWIPYRK-UHFFFAOYSA-N 302.382 1.507 0 40 DDAB CCCCOC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(CCCC)n1 71922237 BGTFVRZOSIUUBD-GFCCVEGCSA-N 324.377 1.932 0 40 DDAB COC[C@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 97110594 GLVTVAACGBMRGY-STQMWFEESA-N 316.423 1.228 0 40 DDAB COCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1 84185472 DAGNNGMLZCIVJT-GFCCVEGCSA-N 300.424 1.764 0 40 DDAB COC(=O)N(C)CC(=O)Nc1cc(F)c(N(C)C)c(F)c1 95364920 DDOAWQMIOOSQDX-UHFFFAOYSA-N 301.293 1.668 0 40 DDAB CN(c1ncc(S(N)(=O)=O)s1)[C@H]1CCc2ccccc2C1 95397220 AOMUKPNOPYGWTC-LBPRGKRZSA-N 323.443 1.784 0 40 DDAB COCCNc1ccccc1CNC(=O)c1c[nH]cc(C)c1=O 95465254 GYWLDEJYTIUGSB-UHFFFAOYSA-N 315.373 1.672 0 40 DDAB CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cnn(C)c2)c1 95421710 HWAKGGONBLQIDK-RYUDHWBXSA-N 322.434 1.740 0 40 DDAB CC[C@H](N)C(=O)N1CCCN(CCCc2ccccc2)CC1 95466771 ZQOAMZQWUSBIMG-KRWDZBQOSA-N 303.450 1.891 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)Nc1ccc(C(N)=O)nc1 95980603 SIIJJVDVSFZCDT-UHFFFAOYSA-N 316.336 1.992 0 40 DDAB CCOc1ccc(Cl)cc1CCNC(=O)Cn1cnnn1 95975217 SMNARYYZECYFFN-UHFFFAOYSA-N 309.757 1.084 0 40 DDAB CC(=O)NS(=O)(=O)c1cc(Br)ccc1Cl 95977599 BBKFXTWNDPXGRI-UHFFFAOYSA-N 312.572 1.927 0 40 DDAB CCC[C@@H](C(=O)O)N1C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C 67665305 GBVXUKWRYVJUFG-HTVCTNPSSA-N 322.405 1.630 0 40 DDAB in-vitro CNC(=O)COC1CN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 75094004 DNNSJPFRGUNJJZ-JTQLQIEISA-N 322.430 1.460 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CCC[C@@H]1C(=O)NCC(F)(F)F 89598006 TZHQJEUCLWEAQA-BQBZGAKWSA-N 320.233 1.760 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(=O)[nH]1 75118881 BQEBGHFHQBYFSH-NSHDSACASA-N 314.341 1.946 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C[C@H](O)Cn2cccn2)n1 75132989 OWCIJWZRLQLOFT-IRXDYDNUSA-N 317.437 1.612 0 40 DDAB COc1cccc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 75103783 ZUWBXMOSEVCLKR-UHFFFAOYSA-N 320.393 1.109 0 40 DDAB COC(=O)c1cccc(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 75107152 UNIMULQJMPJOKK-ZDUSSCGKSA-N 314.345 1.638 0 40 DDAB COC(=O)c1nc[nH]c1NC(=O)CSc1ccc(OC)cc1 555515504 DHPKVNAVIFLUKN-UHFFFAOYSA-N 321.358 1.936 0 40 DDAB CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N 79391261 VXXLDOKACPPPBD-QWHCGFSZSA-N 313.442 1.972 0 40 DDAB CC(C)(C(=O)N[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 79310243 QHSNDVVMAJGCFZ-ZDUSSCGKSA-N 313.394 1.797 0 40 DDAB CC(C)c1nc([C@@H](C)NC(=O)c2cc3n(n2)CCCC3)n[nH]1 566659772 XRCWDFCORQXGEU-SNVBAGLBSA-N 302.382 1.952 0 40 DDAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2ccccc2)CC1 36171476 FGDNFXAILBAJRB-MRXNPFEDSA-N 316.401 1.834 0 40 DDAB Cc1cc(Cc2ccccc2)nc(C2CN(S(C)(=O)=O)C2)n1 72360621 VZFYVKCVSTTXEQ-UHFFFAOYSA-N 317.414 1.735 0 40 DDAB Cc1cc(-n2ccnc2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 72360671 RFTCPCLHNRNKGG-LBPRGKRZSA-N 321.406 1.457 0 40 DDAB CN(C)C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1 72267648 TUKCVHMKCUSURK-INIZCTEOSA-N 301.394 1.030 0 40 DDAB COc1ccc(OC)c(NC(=O)COc2c(C)[nH]ccc2=O)c1 40286163 PBMQWBLRUQUTFB-UHFFFAOYSA-N 318.329 1.718 0 40 DDAB Cc1cc(N)nc(SCC(=O)Nc2c(C)nn(C)c2C)n1 61135194 SIJKJVTVKLQITQ-UHFFFAOYSA-N 306.395 1.448 0 40 DDAB COC(=O)c1ccc(Cl)c(NC(=S)NCCN(C)C)c1 225403945 MGXFOIIQNVRMOQ-UHFFFAOYSA-N 315.826 1.975 0 40 DDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1 42645742 KDVWHEFIBMATJO-VIFPVBQESA-N 315.167 1.275 0 40 DDAB O=C(O)[C@H](c1ccccc1F)N1CCN(c2ncccn2)CC1 571452344 GPVHPKTVLDYCTA-AWEZNQCLSA-N 316.336 1.564 0 40 DDAB Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)O 42646249 IIGJBWSUDAMPHY-MRVPVSSYSA-N 315.167 1.193 0 40 DDAB O=C(O)c1ccccc1OCCN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 573459940 JHRUHFQELDVWTD-RRCSTGOVSA-N 301.342 1.649 0 40 DDAB NCCn1ncc2c(=O)n(Cc3ccccc3Cl)cnc21 85398355 XDOMPTMFRVLRDB-UHFFFAOYSA-N 303.753 1.253 0 40 DDAB Cc1cc(C)c(C)c(OCCCNC(=O)C[C@H]2CNCCO2)c1 195543083 PKARSCMWDHQOHG-INIZCTEOSA-N 320.433 1.875 0 40 DDAB C[C@@H](Sc1ncc(CO)n1C)C(=O)NCc1cccs1 96444638 ZLIIKXDCRGHXDZ-SECBINFHSA-N 311.432 1.771 0 40 DDAB CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12 96040825 QARQBWGGCDWMGN-UPJWGTAASA-N 309.435 1.316 0 40 DDAB COCCN1CC[C@]2(CN(C(=O)c3ccoc3)C[C@H]2C)C1=O 96070293 FJJZLTOYSZRUSM-MLGOLLRUSA-N 306.362 1.237 0 40 DDAB CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)C(C)(C)C)c1 96451284 QSVBSBUCNUDIGE-QMMMGPOBSA-N 304.437 1.821 0 40 DDAB CN(C)CCN1CCC[C@@]12CCCN(C(=O)c1cccnc1)C2 96214686 SZDGVQLDNQPWJO-GOSISDBHSA-N 316.449 1.714 0 40 DDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 96185606 DXPCACLANUDGHN-RDBSUJKOSA-N 318.450 1.329 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)c3coc(C)c3)[C@H](C)C2)n[nH]1 332082548 BCSWECWXFYUYML-LLVKDONJSA-N 316.361 1.606 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 97953803 VUBGDGLXKQDIJQ-APHBMKBZSA-N 318.373 1.141 0 40 DDAB COc1ccc([C@H](N)c2n[nH]c([C@@H]3CCCO3)n2)cc1OC 95533878 ZBBZCIMKFOEEQS-AAEUAGOBSA-N 304.350 1.722 0 40 DDAB CCC(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238202 ZRRKDVKVQXTKMI-OAHLLOKOSA-N 307.419 1.408 0 40 DDAB C[C@@](O)(CNC(=O)N[C@H]1COc2ccccc21)c1ccco1 96439602 RHEPWKNHKCZAML-BLLLJJGKSA-N 302.330 1.920 0 40 DDAB Cn1ncnc1CNc1nc2ccccc2nc1N1CCCC1 95449405 VHORADLKRFKYFS-UHFFFAOYSA-N 309.377 1.971 0 40 DDAB Cn1nnnc1COc1ccccc1C(=O)Nc1nccs1 96101383 WTGXZFWBEGZZTG-UHFFFAOYSA-N 316.346 1.498 0 40 DDAB Cn1cc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)cn1 96161794 QVGAHMHKPZBOEM-BETUJISGSA-N 317.418 1.081 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(C(=O)c1ccco1)CC2 96058958 BIFGFERPVLJXHD-UHFFFAOYSA-N 317.393 1.410 0 40 DDAB O=C1N(CC2CC2)CC[C@]12CCCN(c1ncc(F)cn1)C2 96224202 CHMDOODTZGBCMS-INIZCTEOSA-N 304.369 1.845 0 40 DDAB O=C(O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23CC[C@H]1O3 247421796 RINWWBKRWIXXRN-WBOJAVRRSA-N 301.342 1.320 0 40 DDAB CC(=O)N1CCN(CCCc2ccccc2)C[C@H]1C(=O)N(C)C 257337307 YSGNNZVMSJQXAO-KRWDZBQOSA-N 317.433 1.240 0 40 DDAB Cn1nc(C(F)(F)F)cc1CNCCCN1CCOCC1 256050279 DLVHXJXNHFFEDU-UHFFFAOYSA-N 306.332 1.251 0 40 DDAB CS(=O)(=O)N1CCC(c2cncc(-c3cc[nH]n3)n2)CC1 257263809 LRNVNSDRLFKPLE-UHFFFAOYSA-N 307.379 1.006 0 40 DDAB c1cncc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)c1 253602254 MBDGRMLCTQUNMG-OAHLLOKOSA-N 312.373 1.684 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2ccccn2)c1 257324481 WOVVMZUGMNCNGY-INIZCTEOSA-N 324.384 1.228 0 40 DDAB Cc1onc(C(C)C)c1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257261608 LIBQLKXZIAKRMB-LRDDRELGSA-N 308.378 1.862 0 40 DDAB O[C@@H](CN1CCN(Cc2ccccn2)CC1)c1cccs1 85436953 MFTZKYOFFCGYFF-HNNXBMFYSA-N 303.431 1.994 0 40 DDAB CC1(C)C(CNC(=O)CCC(=O)N2CCC(O)CC2)C1(C)C 390833613 KGCYRYQPTXOKRN-UHFFFAOYSA-N 310.438 1.548 0 40 DDAB O=C(NCc1nccnc1-c1cccnc1)NC[C@H]1CCCO1 575620409 SKJLPSZPFHIHIK-CYBMUJFWSA-N 313.361 1.517 0 40 DDAB O[C@]1(COc2ccccc2)COCCN(Cc2cncnc2)C1 585269055 JCZBRNISTIKOIZ-KRWDZBQOSA-N 315.373 1.119 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2sccc2C)Cc2ccnn21 585111508 CISIGUAUWONFQE-CYBMUJFWSA-N 304.419 1.946 0 40 DDAB CO[C@H]1CCCN(C(=O)CCc2ccccc2)[C@H]1CCC(N)=O 585279420 ZAYUMPQFVKHQLH-HOTGVXAUSA-N 318.417 1.891 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cccc(OC)c1 585278989 XOKGPGXFDVCYDL-QGZVFWFLSA-N 320.389 1.453 0 40 DDAB COc1cc(OC)c2c(=O)oc(C[C@H](O)C[C@@H](C)O)cc2c1 49181692 UGHXSOJROIYABR-MWLCHTKSSA-N 308.330 1.485 0 40 DDAB biogenic,in-vitro CC[C@H](NC(=O)CCS(C)(=O)=O)c1cc(F)ccc1F 96419035 OQMWXXJGPMDLLI-LBPRGKRZSA-N 305.346 1.967 0 40 DDAB O=C1OC[C@H](COc2cccc(OC[C@H]3COC(=O)O3)c2)O1 149227520 PKEDOQRZOIOKGU-RYUDHWBXSA-N 310.258 1.515 0 40 DDAB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 7078357 JHNFYGBPCXOLHL-BZPKPHBRSA-N 317.345 1.974 0 40 DDAB CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 12748694 SALDSHGTZFGJNY-UHFFFAOYSA-N 301.364 1.559 0 40 DDAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1F 13535748 WNMDWAYEDDPLPG-HZSPNIEDSA-N 305.353 1.554 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 13629466 KRWDXLIODAAAGG-AWEZNQCLSA-N 314.389 1.707 0 40 DDAB COCc1cc(=O)c2c(=O)n(-c3ccc(OC)cc3)[nH]c2[nH]1 17030643 HZJSQTZJGJCASU-UHFFFAOYSA-N 301.302 1.162 0 40 DDAB CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCN(C)CC1 19446904 GTKCNHZHZZLEEH-HNNXBMFYSA-N 318.425 1.649 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)[C@H]1COc2ccccc2O1 19456349 CWZZMZORRVPXPH-SWLSCSKDSA-N 307.346 1.090 0 40 DDAB NC(=O)CN1CCCC[C@H]1c1csc(Nc2ncccn2)n1 607853303 QRGORUHFAXNWNF-NSHDSACASA-N 318.406 1.689 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2cccc(C(F)(F)F)c2)[C@@H]1O 643585527 RMACOOMKVBISQQ-BNOWGMLFSA-N 319.323 1.817 0 40 DDAB NC(=O)COc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 14373814 QZDVCSUTVJFKOW-INIZCTEOSA-N 310.353 1.968 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1cc(F)ccc1OC)OC 575612877 OKLXIMZXPXQMMN-ZDUSSCGKSA-N 321.370 1.164 0 40 DDAB C[C@H](OC(=O)c1cccnc1)C(=O)Nc1ccc2c(c1)OCO2 3285391 XAOWKPFLTRLJGM-JTQLQIEISA-N 314.297 1.994 0 40 DDAB CCOc1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 3379906 RUSOMSHDLZOJDB-UHFFFAOYSA-N 315.329 1.979 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2)n1 1888835126 VYHBBTOLNYFDGY-CHWSQXEVSA-N 322.359 1.725 0 40 DDAB O=C([C@H]1CN(c2ccnc(C3CC3)n2)CCO1)N1CCCC1 1889098730 ZSPHDXUZYLMZRA-CYBMUJFWSA-N 302.378 1.182 0 40 DDAB CC1CCC(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 17969790 JZSFORHDZYQBES-HOAMVYINSA-N 304.390 1.633 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(Cc3nc(C)no3)C2)nc1 1776000955 RHRAAXMBJHJZIU-CYBMUJFWSA-N 303.366 1.767 0 40 DDAB O=c1c2cnn(CCO)c2ncn1Cc1cccc2ccccc12 4940533 WQWLVPKBALRZLS-UHFFFAOYSA-N 320.352 1.787 0 40 DDAB O=S1(=O)c2ccccc2[C@H]2Sc3ncnc4ncn(c34)[C@H]21 9142754 PXNSENBHHUVNOU-MFKMUULPSA-N 316.367 1.959 0 40 DDAB CC(=O)N1Cc2nnn(CC3CC3)c2[C@@H](COCC2CC2)C1 2055747556 GNQFEIQOEWMBTH-CQSZACIVSA-N 304.394 1.560 0 40 DDAB O=C(CSCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1 618255977 BITSXJHBFQWDDF-AWEZNQCLSA-N 320.414 1.973 0 40 DDAB CCn1c(O)c(C(=O)NNC(=O)C(C)C)c(=O)c2ccccc21 6520072 GJVODGIARPWESC-UHFFFAOYSA-N 317.345 1.144 0 40 DDAB COc1ccccc1-n1nnc(C(=O)N2CCOC[C@H]2C)c1C 31115792 WEVPVQYBFQGKPP-LLVKDONJSA-N 316.361 1.445 0 40 DDAB CC[C@H]1c2ccsc2CCN1Cc1cc(=O)n(C)c(=O)n1C 40477878 KMXDYGZUXUHRLH-ZDUSSCGKSA-N 319.430 1.655 0 40 DDAB O=C(Nc1cc2c(cc1Cl)OCO2)[C@@H]1CCS(=O)(=O)C1 40476213 KGKJWJMWYIANFM-SSDOTTSWSA-N 317.750 1.442 0 40 DDAB Cc1cc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)on1 40488759 PKNTUFFXXKEHPY-LBPRGKRZSA-N 317.345 1.693 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc2ccccc2c1 40487879 ARNMDUKYJKSOPN-AWEZNQCLSA-N 319.386 1.597 0 40 DDAB CN1CC(=O)N(C[C@H](O)COc2ccccc2C(C)(C)C)C1=O 40486078 XDRIODIRRPQZPY-LBPRGKRZSA-N 320.389 1.618 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1CCCCNC1=O 40521925 CNLANHQDZPMKCU-HNNXBMFYSA-N 312.373 1.200 0 40 DDAB CCn1c(N2CCNCC2)nc2sc3c(c2c1=O)CCCC3 31947473 ONSUCJGVSMHCMF-UHFFFAOYSA-N 318.446 1.766 0 40 DDAB O=C(O)Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1 248566 PBAKKBGQRFIRDX-UHFFFAOYSA-N 302.311 1.368 0 40 DDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCO[C@@H](C)C2)cc1 21380838 ZIZJHLDNLXWNKC-STQMWFEESA-N 320.389 1.199 0 40 DDAB CCOCc1ccccc1CNC(=O)N[C@H](C)c1nncn1C 46177473 VHQVEUHZFIPCCA-GFCCVEGCSA-N 317.393 1.912 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C1CC1 8502543 XBAJPTGNQNWZRK-DIFFPNOSSA-N 315.373 1.368 0 40 DDAB CCC(C)(C)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 32771098 VVYNQSYLBANUAC-ZDUSSCGKSA-N 302.378 1.411 0 40 DDAB CCc1ccc(OCC(=O)NC[C@@H](C)N2CCOCC2)cc1 29958472 FCILVOHTNWVZKY-CQSZACIVSA-N 306.406 1.465 0 40 DDAB Cc1cc(C)n(-c2ccc(N[C@H]3CCC(=O)N(C)C3)nn2)n1 77992533 QZUBDAYGZCDIIR-LBPRGKRZSA-N 300.366 1.312 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1 78889966 XHCAXXNFJOHQJI-NEPJUHHUSA-N 318.381 1.115 0 40 DDAB Cc1cc(NCC(=O)N(C)Cc2ccco2)c(C(N)=O)cc1F 79016929 WEAFZTBHYWZGGJ-UHFFFAOYSA-N 319.336 1.897 0 40 DDAB NS(=O)(=O)c1ccc(OCCSc2ccccn2)cc1 32865358 XNTVAMJCFYQIDJ-UHFFFAOYSA-N 310.400 1.900 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CC(=O)Nc3ccccc32)c1 3329013 VTTIQEQFBGAKFE-UHFFFAOYSA-N 323.352 1.710 0 40 DDAB CCNC(=S)N1CCC(NC(=O)c2cccc(F)c2)CC1 4888559 CZKDRTMTSASJLI-UHFFFAOYSA-N 309.410 1.914 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)C(C)C 6432288 MZLSXDXRTFGYQK-ZBFHGGJFSA-N 321.421 1.693 0 40 DDAB CN(CCc1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1 6681050 DONLCCUNTMKUNF-UHFFFAOYSA-N 324.427 1.710 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(=O)[nH]c2ccccc12 21937697 XQHBHNIGMXXFLM-UHFFFAOYSA-N 315.373 1.515 0 40 DDAB COC(=O)N(C)CC(=O)Nc1cc(NC(C)=O)ccc1OC 41613746 MXIMKRVEYFVRLZ-UHFFFAOYSA-N 309.322 1.290 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1ccco1 8191213 MOHTUVUNGVGBJA-UHFFFAOYSA-N 319.361 1.193 0 40 DDAB C[C@@H](NC(=O)Cn1cnnn1)c1cccc(Br)c1 42239947 WTNMQYPZQDKEML-MRVPVSSYSA-N 310.155 1.313 0 40 DDAB Cc1nc(N2C[C@@H](O)C[C@H]2C(N)=O)c2c(C)c(C)sc2n1 104819977 JDHXRPKUKXKKEC-UWVGGRQHSA-N 306.391 1.041 0 40 DDAB CCOC(=O)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 23700284 QLHSLDTYHHJQDU-CYBMUJFWSA-N 315.377 1.437 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H](C)O)ccc1Br 9235220 DZOIRDVFWHOYEE-QMMMGPOBSA-N 315.167 1.193 0 40 DDAB Cn1nc(C(=O)N2CCCC2)cc1OCC(=O)N1CCCCC1 57355799 MVWFUPGPLVESSH-UHFFFAOYSA-N 320.393 1.047 0 40 DDAB Cc1n[nH]c(C(=O)N2CCO[C@H]3CCC[C@@H]32)c1Br 56198351 VYSQCGABLAWMHY-IUCAKERBSA-N 314.183 1.874 0 40 DDAB O=C(NCCOc1ccccc1)c1ccc(-n2cnnn2)cc1 25643074 NWFXLGAEAZOKTO-UHFFFAOYSA-N 309.329 1.471 0 40 DDAB COc1ccc(NC(=O)CN2CSCC2=O)c2cccnc12 56305080 PRLNPBWEQLAJAY-UHFFFAOYSA-N 317.370 1.715 0 40 DDAB CCN1CCCN(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 107496832 FUDBPZXTIFDGDE-QZWWFDLISA-N 307.482 1.955 0 40 DDAB O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1C[C@H]2CC[C@H]1O2 107518746 QLYMMNZOOMHAOU-QLFBSQMISA-N 308.422 1.458 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 26539605 NEAQCRKQYQBJBU-UHFFFAOYSA-N 318.362 1.408 0 40 DDAB CS(=O)(=O)NCCCNC(=O)c1ccc(-n2cccc2)cc1 44706628 CFGBXFSJBMFKIQ-UHFFFAOYSA-N 321.402 1.146 0 40 DDAB O=C(NCc1ccoc1)NC1CCN(c2ncccn2)CC1 44968344 UTJDCDXYGLBNQO-UHFFFAOYSA-N 301.350 1.538 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 62119884 CQFBUBSLBGWWCH-QMMMGPOBSA-N 323.292 1.801 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NC[C@@H]1CCCO1 12777982 CFRMWOQNGSXMTD-JTQLQIEISA-N 307.375 1.143 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 11560642 VQAGCOJOIOBGFF-BETUJISGSA-N 300.362 1.576 0 40 DDAB C[C@@H]1CN(Cc2ccccc2OCC2CC2)C[C@H](C(N)=O)O1 92007642 GPYFICSAPZMJSO-MLGOLLRUSA-N 304.390 1.550 0 40 DDAB COCCCS(=O)(=O)N1CCN(C[C@H]2CC=CCC2)CC1 92062650 AVJCCVMLNGXVCC-HNNXBMFYSA-N 316.467 1.327 0 40 DDAB O=C(Cc1cccc(F)c1)NCCNCc1cccc(O)c1 69895732 OPDOCYHEYOEGMI-UHFFFAOYSA-N 302.349 1.980 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H](C)OCc2ccccc2)CC1 69877519 SGJBLUOYRXZGKF-GJZGRUSLSA-N 306.406 1.117 0 40 DDAB CONC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12911598 VUCVVTHBSUHVBK-QMMMGPOBSA-N 313.151 1.480 0 40 DDAB Cc1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1Cl 13095368 ZEWWILIITIVSTD-NSHDSACASA-N 309.797 1.784 0 40 DDAB NC(=O)CCc1nc(-c2cc(Br)cs2)no1 48889393 STMTYBMGJSDIID-UHFFFAOYSA-N 302.153 1.979 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1 13170718 WXUFRYLAZYBVSN-CQSZACIVSA-N 303.358 1.877 0 40 DDAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)CC(N)=O 49248529 OBBOUBFGKJXXTB-SSDOTTSWSA-N 305.161 1.704 0 40 DDAB Cc1c(C(=O)O)sc2nc(O)n(Cc3ccncc3)c(=O)c12 8741163 LJSWUEIKHVXTKC-UHFFFAOYSA-N 317.326 1.614 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4045168 ARGYSBFCUPNCDR-HICWGWBUSA-N 316.357 1.761 0 40 DDAB biogenic CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3nccs3)C[C@@H]21 306134056 NCSMKMTWJXWQHQ-MCIONIFRSA-N 320.462 1.174 0 40 DDAB COc1ccc([C@@H](CNC(=O)[C@H](C)n2cncn2)N(C)C)cc1 65415390 HONXRQPGBBYOFW-SWLSCSKDSA-N 317.393 1.267 0 40 DDAB Cc1noc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)n1 65540935 UMYJCWJBTRSXLP-CQSZACIVSA-N 304.281 1.484 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccco1 14138935 DSBMHHNCIKNQQP-UHFFFAOYSA-N 312.329 1.858 0 40 DDAB CCOC1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 65729334 CJOZXGMNRKEZHA-UHFFFAOYSA-N 319.405 1.559 0 40 DDAB CCn1c(CCNC(=O)c2ccc(OC)cc2)n[nH]c1=S 4739090 NIDXPUYMNAWUIS-UHFFFAOYSA-N 306.391 1.942 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2ccco2)NC(=O)N[C@@H]1CC 5857828 WNPULYIJHWBTNP-SECBINFHSA-N 322.317 1.345 0 40 DDAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)cc1 4921332 ZDXBGRRHOHZYFG-MRVPVSSYSA-N 304.379 1.464 0 40 DDAB Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCCO 67308139 YGYQMJJFUOOKDV-UHFFFAOYSA-N 323.418 1.298 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1 68802041 KVZPGDFZUCCRHG-CYBMUJFWSA-N 304.394 1.877 0 40 DDAB CC(C)CO[C@@H](C)C(=O)NCc1cccnc1N1CCOCC1 42494999 SWCCUPPFKBPHHJ-AWEZNQCLSA-N 321.421 1.596 0 40 DDAB Cc1c(C(=O)N2CCn3c(C)nnc3C2)nnn1-c1ccccc1 69452828 LEBNAWUKWHTSHJ-UHFFFAOYSA-N 323.360 1.132 0 40 DDAB C[C@@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)N(C)C 69454972 KJRBOQUJOSBVKR-LBPRGKRZSA-N 313.405 1.825 0 40 DDAB CCc1noc(CN2CCN(Cc3nc(CC)no3)[C@@H](C)C2)n1 69699239 QUTBFEGFOUXZNZ-NSHDSACASA-N 320.397 1.284 0 40 DDAB COC(=O)CCCC(=O)N1CCN(c2ccccc2C)CC1 97141959 QSBHUZIQCSEAHQ-UHFFFAOYSA-N 304.390 1.987 0 40 DDAB Cc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cn1 71853430 VZUOCAGTBCBRCI-UHFFFAOYSA-N 321.421 1.736 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)s2)CC1 71881791 YRUWDVYUCTWEKS-JTQLQIEISA-N 302.827 1.930 0 40 DDAB OCCCN1CCN(c2cnc3cc(F)c(F)cc3n2)CC1 71914511 YJUCRDDDNUNJMF-UHFFFAOYSA-N 308.332 1.412 0 40 DDAB COC(=O)Cn1cnc(NC(=O)/C=C/c2cccc(C)c2)n1 72300962 NGFMABWKYYSPHH-VOTSOKGWSA-N 300.318 1.411 0 40 DDAB Cc1ncn(C[C@@H](O)COc2cccc3[nH]ccc23)c(=O)c1C 97238495 VOLSOBWVEHPNJA-CYBMUJFWSA-N 313.357 1.781 0 40 DDAB CC(C)c1noc(CCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)n1 72057913 WNNQZCCNJREPIY-RYUDHWBXSA-N 310.398 1.944 0 40 DDAB NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ccccc12 83996185 VGBYJMRDVHINGT-ZIAGYGMSSA-N 318.398 1.772 0 40 DDAB CC(C)N(C)CCNC(=O)c1ccccc1OCCN(C)C 84575500 ROZDQDFNLMTFHE-UHFFFAOYSA-N 307.438 1.697 0 40 DDAB C[S@](=O)CCNC(=O)c1cnc2c(cnn2C2CCCC2)c1 95398019 BDZPEWQWHKLFFT-JOCHJYFZSA-N 320.418 1.655 0 40 DDAB CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 84714574 AHKBBOFJBDCWKX-MFKMUULPSA-N 301.387 1.228 0 40 DDAB C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)c1ccc(F)cc1 95430050 HIWZPCIMXMOODF-QMTHXVAHSA-N 310.369 1.526 0 40 DDAB Cn1ncnc1CNC(=O)N(Cc1ccccc1)CC(F)F 95413568 RAIUNWGWZOROMT-UHFFFAOYSA-N 309.320 1.792 0 40 DDAB COC(=O)[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN2CCCC[C@H]12 95466037 LVRZFYQZGBOBTF-RBSFLKMASA-N 320.389 1.354 0 40 DDAB CC(C)c1nc(CN[C@H](C(=O)N2CCOCC2)C(C)C)no1 95985483 VNMNPPQQGLKXOQ-ZDUSSCGKSA-N 310.398 1.166 0 40 DDAB Cn1ccc(N[C@H](C(N)=O)c2cccc(Br)c2)n1 95978005 JEMSAEHHYIYYRD-NSHDSACASA-N 309.167 1.821 0 40 DDAB CC(=O)N1CCC(CNS(=O)(=O)c2cc(C)ccc2C)CC1 74860946 AOFMBMNUJKUORS-UHFFFAOYSA-N 324.446 1.840 0 40 DDAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cnns1 89313794 ZUDUNCIDTBDTPV-GFCCVEGCSA-N 316.386 1.317 0 40 DDAB Cc1nc2ncnn2c(NCc2nc(-c3cccnc3)no2)c1C 75105529 AIMSXJBXDCXWQM-UHFFFAOYSA-N 322.332 1.798 0 40 DDAB CC(C)(C)[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)C(=O)O 89621426 BLDVHSHGOOQABE-ZDUSSCGKSA-N 321.377 1.814 0 40 DDAB Cc1noc(-c2cccnc2N2CCC(n3cncn3)CC2)n1 89721242 YMFAUXKBRIVURC-UHFFFAOYSA-N 311.349 1.873 0 40 DDAB NC(=O)Cc1cccc(OC(=O)CN2CCCCCC2=O)c1 75582959 LDHRLXOBQUQKQB-UHFFFAOYSA-N 304.346 1.022 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)NC[C@H](C(=O)O)C(C)C 547609660 VEUNQIFZRQNRJT-JTQLQIEISA-N 303.355 1.769 0 40 DDAB CCc1ccc(C(=O)O)cc1NS(=O)(=O)C[C@H](C)OC 548996084 FOFVSCMBVIUEFS-VIFPVBQESA-N 301.364 1.724 0 40 DDAB CC(C)n1nccc1C(=O)Nc1nnc(-c2ccn(C)n2)o1 36700471 CLLPVGDBYNLJIJ-UHFFFAOYSA-N 301.310 1.500 0 40 DDAB COc1ccc(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)cc1F 128387864 XIDLTZGDKSSRSI-CYBMUJFWSA-N 319.398 1.862 0 40 DDAB CC(C)(C)n1nnnc1CN1CCN(c2ccccc2F)CC1 35311190 FBXUNGVYTMINKM-UHFFFAOYSA-N 318.400 1.889 0 40 DDAB Cc1c(Cl)c(C(=O)NC[C@H](C)Oc2cccnc2)nn1C 71750469 DUQVYVINTSXMQB-VIFPVBQESA-N 308.769 1.974 0 40 DDAB CN(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412277 HVLQHUDSRJMXLM-AWEZNQCLSA-N 305.378 1.062 0 40 DDAB CC(=O)N1CCC(c2cnc(N[C@H]3CCCOC3)cn2)CC1 72365368 RBPKAEKVHHKUEC-AWEZNQCLSA-N 304.394 1.793 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 71256110 QWPLMQDSSZGEIH-SNVBAGLBSA-N 305.396 1.247 0 40 DDAB CNC(=O)Cc1csc(NC(=O)c2cc(C3CC3)on2)n1 42381427 JSCQDKZJLJNASX-UHFFFAOYSA-N 306.347 1.549 0 40 DDAB O=C(NCC[C@@H](O)c1ccco1)C(=O)NCc1ccc(F)cc1 77112185 ZDOOEJUOCSLQAV-CYBMUJFWSA-N 320.320 1.275 0 40 DDAB Cc1cc(C(=O)NC[C@H]2CC3(CCNCC3)C(=O)O2)c(C)[nH]1 1579563800 PNMZXZTUADBRKU-GFCCVEGCSA-N 305.378 1.047 0 40 DDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cccs1 224204462 DSXHMVYKUAGQOJ-UHFFFAOYSA-N 324.431 1.617 0 40 DDAB CC(=O)[C@@](C)(O)CN1CCc2c(ncn2-c2ccc(F)cc2)C1 573196887 PZBBTYXIUFDUNJ-KRWDZBQOSA-N 317.364 1.710 0 40 DDAB O=C(NC[C@H]1COCc2nc3ccccc3n21)c1cncnc1 96112448 AOQXAYFIYPZKRX-LBPRGKRZSA-N 309.329 1.328 0 40 DDAB biogenic,in-vitro CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)CC 96454347 IAAUUAZUAWHMRQ-OAHLLOKOSA-N 324.446 1.804 0 40 DDAB O=C(c1cccnc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1 96063768 BAEIHUCXJHLSKM-DOTOQJQBSA-N 324.384 1.454 0 40 DDAB Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1ccoc1)C2 96198580 ZNUMWUFEUQKWJO-AWEZNQCLSA-N 302.378 1.934 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1CC1CCOCC1 96060573 XOFWBXFKVVKENY-INIZCTEOSA-N 320.437 1.660 0 40 DDAB CSCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 96422414 OZGVMKMPEACOPI-CQSZACIVSA-N 307.463 1.676 0 40 DDAB CC(C)n1cc(Br)cc1C(=O)NN1CCOCC1 96435968 XGIHDZSYBIBSEA-UHFFFAOYSA-N 316.199 1.809 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)Cc2ccnn21 247499021 PHCDPTPRAZIYHW-INIZCTEOSA-N 311.389 1.361 0 40 DDAB C[C@H](O)CNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 257173051 BOXVZEJWXNKERD-ZDUSSCGKSA-N 317.389 1.743 0 40 DDAB CC(=O)N1CC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 257305888 SRYROWVXWJWYSG-ZDUSSCGKSA-N 302.378 1.124 0 40 DDAB CN1CCN(Cc2c(F)cccc2F)C[C@@H](C(=O)N(C)C)C1 257286810 PNDOMQSZGUULEA-LBPRGKRZSA-N 311.376 1.417 0 40 DDAB Cc1nc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)cs1 257236224 HBHFILOHGHPVTM-AWEZNQCLSA-N 321.450 1.810 0 40 DDAB O=C(NS(=O)(=O)Cc1cccc(Cl)c1)C1CCOCC1 390835307 KBNIKNAILFPVHT-UHFFFAOYSA-N 317.794 1.713 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2ncnc(-c3ccncc3)c2CC1 96090947 FMKABLAIWXPFES-AWEZNQCLSA-N 324.384 1.502 0 40 DDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@@H](CN3CCCC3=O)[C@H]2C1 575405201 GVQJQWOMHVJGFJ-MGPQQGTHSA-N 318.373 1.297 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)CC3CC3)CO2)C1 575406947 YUKPYSFCXUPWAE-YUELXQCFSA-N 320.433 1.566 0 40 DDAB CSc1ncccc1C(=O)N1CC[C@@H](Oc2ncccn2)C1 575604731 ADRVHQUIMACBAD-LLVKDONJSA-N 316.386 1.887 0 40 DDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CCN2CC2CC2)O1 585094016 FONCFJLQPZKDKW-HRCADAONSA-N 301.390 1.340 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccsc3)CC2)CC1=O 585099745 KORVIEWJGAJIES-UHFFFAOYSA-N 322.430 1.849 0 40 DDAB COc1ccc2c(c1)NC(=O)[C@@]21NC(=O)c2ccccc2N1C 58411747 QRCKVYOXWJXIDQ-QGZVFWFLSA-N 309.325 1.680 0 40 DDAB CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)O)c(F)c2)C1 871982783 CPMXAYNEYHBATG-KYZUINATSA-N 317.338 1.370 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)c1 71185781 SAEJLXBNSGRLTP-HNNXBMFYSA-N 315.421 1.948 0 40 DDAB CC(=O)NCC(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O 95436443 KETVMYCBQSVQPE-UHFFFAOYSA-N 313.357 1.280 0 40 DDAB COC(=O)c1ccc(CNS(=O)(=O)N2CCC[C@@H]2C)cc1 97095829 TZEJPINOWFSTOD-NSHDSACASA-N 312.391 1.292 0 40 DDAB O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1Cl 5100004 MEUJYCDUNRJSPF-USZNOCQGSA-N 319.700 1.481 0 40 DDAB CCn1ncc(CNC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)n1 528081170 JSTGXQKVMNZELZ-CHWSQXEVSA-N 307.398 1.397 0 40 DDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)C3CCOCC3)C2)n1 390827442 HCHWIVRJPIAXNM-CQSZACIVSA-N 305.378 1.500 0 40 DDAB O=C([C@H]1CN(c2ncnc3sccc23)CCO1)N1CCCC1 1889114181 RGEYEKNWJQEFIA-GFCCVEGCSA-N 318.402 1.519 0 40 DDAB CCNC(=O)CN(CC)Cc1nccn1Cc1ccccc1 26923477 GWQREYYAWALDSP-UHFFFAOYSA-N 300.406 1.889 0 40 DDAB O=C1NCCN1C(=O)NC[C@](O)(c1ccsc1)c1ccco1 245130873 VBYQKQQPCQWCFW-AWEZNQCLSA-N 321.358 1.312 0 40 DDAB CO[C@H]1CCN(C(=O)C2CC(F)(F)C2)[C@H]1Cc1cnn(C)c1 1565552520 YKGOEWCSYFJXBK-STQMWFEESA-N 313.348 1.624 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)C2=CCCCC2)C1 2055772083 VGWANNPBIGJLRW-QGZVFWFLSA-N 316.405 1.447 0 40 DDAB O=C(COc1ccccc1F)NCCn1ccn2nccc12 206742987 JXODRRSIAOUNDR-UHFFFAOYSA-N 302.309 1.470 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1 206935652 HMIDSOMGHFVCHN-XKOZXHHJSA-N 318.402 1.834 0 40 DDAB COC(=O)c1sccc1Cn1nc(-c2ccco2)oc1=O 96465912 WDEOLQSANHYCOF-UHFFFAOYSA-N 306.299 1.993 0 40 DDAB COc1cccc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1 31207761 FHXWASNMJLTWSV-UHFFFAOYSA-N 301.346 1.254 0 40 DDAB O=C(CCn1cccn1)N1CCN(Cc2cccs2)CC1 40480770 CDGWKTLMIWZTJC-UHFFFAOYSA-N 304.419 1.679 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2cc(C)sc2C)C1 40597571 OFDPXVZUBAGYKW-LBPRGKRZSA-N 302.465 1.985 0 40 DDAB Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCCCNC3=O)c2)cs1 40521665 GLHOIOCQEMDLQH-NSHDSACASA-N 318.402 1.845 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 21267654 XBXGPACESLDOGY-QWRGUYRKSA-N 321.352 1.898 0 40 DDAB CN(C)S(=O)(=O)c1cccc(CSc2cccc[n+]2[O-])c1 2618171 YVIWUNMKCOPXSY-UHFFFAOYSA-N 324.427 1.863 0 40 DDAB CN1CC[C@H](N(C)C(=O)/C=C/c2cn(C)c3ccccc23)C1=O 76066318 CMVOSTZIMOVQMK-FDMDGMSGSA-N 311.385 1.881 0 40 DDAB CCOc1cccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 78788405 KNIHIRWNRSKGEV-IRXDYDNUSA-N 318.417 1.757 0 40 DDAB COc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 78788706 VXUKCDCMUKFTQK-HOTGVXAUSA-N 304.390 1.366 0 40 DDAB Cc1nc(NC(=O)CCN2C(=O)CCC2=O)nc2c1CCCC2 32859871 DBHFGHKIFOSAQE-UHFFFAOYSA-N 316.361 1.141 0 40 DDAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3572669 YDIDCKDXXREBNX-UHFFFAOYSA-N 313.313 1.075 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCN(C3CCCC3)CC2)C1=O 52556864 PXLFNEMAMIEBKW-UHFFFAOYSA-N 322.453 1.267 0 40 DDAB CCCn1c(NC(=O)C2=NN(C)C(=O)CC2)nc2ccccc21 21758585 NKDKOXRHSXHQFI-UHFFFAOYSA-N 313.361 1.993 0 40 DDAB CCn1cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)cn1 97082373 FNFPJMGOKJMCGX-UHFFFAOYSA-N 318.362 1.285 0 40 DDAB CSc1ccccc1NC(=O)CCN1CCN(C(C)=O)CC1 22197723 GVAJWLQPGUACFS-UHFFFAOYSA-N 321.446 1.901 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2)C1 72277748 XYTZTEFBQUVQQL-CYBMUJFWSA-N 320.393 1.890 0 40 DDAB COc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1 22701137 CEFFBMVJKLYMPG-UHFFFAOYSA-N 300.362 1.943 0 40 DDAB CCOC(=O)c1sc(N2CCNCC2)nc1C(F)(F)F 22995835 XADDUHHBEZGUSE-UHFFFAOYSA-N 309.313 1.748 0 40 DDAB COc1ccc(NC(=O)C(=O)Nc2cc(C)on2)c(OC)c1 9909512 WVVSBVUTZOXOIC-UHFFFAOYSA-N 305.290 1.577 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1ccc(Br)cn1 61873705 KUYLXZNLLAZOEU-JTQLQIEISA-N 312.167 1.243 0 40 DDAB CN1CCN(C(C)(C)CNC(=O)Nc2ccccc2F)CC1 23043247 VABNDUXBGQBZPQ-UHFFFAOYSA-N 308.401 1.973 0 40 DDAB Cc1csc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 72298799 WNCZMQXWGZRBCS-GFCCVEGCSA-N 307.419 1.780 0 40 DDAB CCc1nc2n(n1)C[C@@H](Nc1nn3cc(C)nc3s1)CC2 72276370 ZZBAPGOILLROIC-VIFPVBQESA-N 303.395 1.680 0 40 DDAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCCC1 57219950 QTDKUVWVVCNRMK-LBPRGKRZSA-N 318.373 1.589 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)OCCCO2 42532551 ZJEPAAKKKXTQKZ-GFCCVEGCSA-N 301.346 1.863 0 40 DDAB CCCCn1nc(C(=O)NCCN(C(C)C)C(C)C)ccc1=O 54462844 XFCXIVRDABGOEY-UHFFFAOYSA-N 322.453 1.892 0 40 DDAB Cc1nc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)no1 119038301 BTJJKVNMLXPLMB-SECBINFHSA-N 310.379 1.600 0 40 DDAB CCn1nc(C)c2ncnc(NCCCN3CCOCC3)c21 57280118 KZUKNZNLWWRXFL-UHFFFAOYSA-N 304.398 1.289 0 40 DDAB CCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209382 KTHGHPHECKYFGC-ZDUSSCGKSA-N 324.402 1.201 0 40 DDAB COC(=O)CCCCCNC(=O)Cc1cn2ccsc2n1 24466746 JOMHDJDOYOUOEL-UHFFFAOYSA-N 309.391 1.788 0 40 DDAB COCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O 3262834 CQZITUHYKOTYPA-UHFFFAOYSA-N 307.375 1.225 0 40 DDAB CCCc1ccccc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 25903668 CABVMIMIRMCTMU-CYBMUJFWSA-N 310.419 1.354 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 57217005 GMHFNTMBLNTATM-GFCCVEGCSA-N 320.364 1.208 0 40 DDAB COc1ccc(CNC(=O)Nc2ccc(-n3cncn3)nc2)cc1 48134015 OTQWPIVHZFHNGA-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)Cn2cccn2)n1 48235183 DDLSLPGXJDELLB-JSGCOSHPSA-N 318.425 1.720 0 40 DDAB COC(=O)C12C[C@@H]3C[C@H](CC(NC(=O)c4cnccn4)(C3)C1)C2 101415528 BEOMDFHLAWISPG-MQAIEQDTSA-N 315.373 1.718 0 40 DDAB CCOC(=O)C(=O)[C@@H]1C(=O)N(C)[C@]2(C)C[C@@H]1c1ccccc1O2 100330866 LVSHFNNPADHXDV-NDGTYSDOSA-N 317.341 1.489 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)NCCc1nnc(S)n1C 109055617 JZBMMFGGXLBSIU-VIFPVBQESA-N 324.381 1.369 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O 58295248 XGQYFRRQFFAXEW-UHFFFAOYSA-N 324.402 1.277 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCCOc1ccc(F)cc1 58280697 YYKOAEXTKJBJOD-SWLSCSKDSA-N 322.380 1.873 0 40 DDAB Cc1cc(NC(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)no1 58298134 KGDLSSHCDNFFPD-UHFFFAOYSA-N 316.296 1.723 0 40 DDAB CCN(CC)C(=O)CNC(=O)N1CCC[C@H](c2nc(C)no2)C1 58210657 AILHISPEEFKBBE-LBPRGKRZSA-N 323.397 1.135 0 40 DDAB CCN1CCN(c2nc(COC)c(CCC(C)C)c(=O)[nH]2)CC1 22448839 PRDNZKMLOAHCIB-UHFFFAOYSA-N 322.453 1.647 0 40 DDAB NC(=O)c1ccc(OCC(=O)NCCN2CCCCCC2)cc1 58278135 MTABTSKVBFFKKW-UHFFFAOYSA-N 319.405 1.157 0 40 DDAB O=C(NCc1ccccc1Cn1cncn1)NC[C@H]1CCCO1 44945558 IJUYABRTQDTNJJ-OAHLLOKOSA-N 315.377 1.305 0 40 DDAB COc1ccccc1CNC(=O)c1ccc2c(c1)OCC(=O)N2 12768707 SIZQQKSHYUXVIA-UHFFFAOYSA-N 312.325 1.956 0 40 DDAB C[C@@H]1CCC[C@H](OCC(=O)N[C@H](C)CCN2CCOCC2)C1 110594054 ABRDHZFHUWCCNY-OAGGEKHMSA-N 312.454 1.809 0 40 DDAB NC(=O)c1ccc(Cn2c(-c3cccs3)noc2=O)cc1 58345145 QWBUXSVVJDVWBT-UHFFFAOYSA-N 301.327 1.712 0 40 DDAB Cc1cnc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)s1 58423550 FMGQQXIMHNSJHE-UHFFFAOYSA-N 316.342 1.093 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 28327738 CEFIKHKFGHIEIA-RKDXNWHRSA-N 319.404 1.381 0 40 DDAB C[C@H](NC(=O)C1=NNC(=O)CC1)c1cccc(Br)c1 37983333 DHUDTCDCNRASOC-QMMMGPOBSA-N 324.178 1.892 0 40 DDAB CC(C)N(CC(=O)N1CCNC(=O)C1)Cc1cccc(Cl)c1 59038085 SEZCDCQVFYEYQE-UHFFFAOYSA-N 323.824 1.509 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1OC 11615637 OMCZXSBUWVGUPA-UHFFFAOYSA-N 315.376 1.665 0 40 DDAB CNC(=O)[C@H](C)SCc1cccc(S(=O)(=O)N(C)C)c1 48675087 FIFRETQHELGPBV-JTQLQIEISA-N 316.448 1.305 0 40 DDAB O=c1cc(CN2CCCC[C@@H]2Cn2cccn2)nc2ccccn12 69930377 CFEDAIFJLBHTNS-MRXNPFEDSA-N 323.400 1.946 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCC[C@H]1C)C2=O 13113396 QTWJOAVWJMHMML-OGHNNQOOSA-N 321.421 1.888 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O 69521053 CPHPASNNDDWKOY-KGLIPLIRSA-N 318.421 1.476 0 40 DDAB CCOC(=O)c1cnn(CCSc2nc(CC)n[nH]2)c1N 69664314 KPIBZSYVXZLENW-UHFFFAOYSA-N 310.383 1.115 0 40 DDAB COC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 8529355 LZYXCQGDDGCCQP-UHFFFAOYSA-N 303.343 1.796 0 40 DDAB O=C(Cc1noc(C2CCOCC2)n1)NCc1ccccc1 69738173 UFACAVLAYWHZCO-UHFFFAOYSA-N 301.346 1.823 0 40 DDAB CS(=O)(=O)NCCSc1cc2c(cc1Cl)OCCO2 69700980 OQRKPNRABLNYIB-UHFFFAOYSA-N 323.823 1.753 0 40 DDAB S=C(NC[C@H]1CCCO1)N1CCn2c1nc1ccccc12 5109680 PJLGNYNBSAGEOD-LLVKDONJSA-N 302.403 1.910 0 40 DDAB Cn1cnnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 5126639 WKCBUCLTWWEMSO-UHFFFAOYSA-N 306.435 1.992 0 40 DDAB CCn1cc(Br)c(C(=O)N2C[C@H](C)O[C@H](C)C2)n1 18062060 NTCYXDULTGSMRM-DTORHVGOSA-N 316.199 1.915 0 40 DDAB Cc1c[nH]/c(=N\S(=O)(=O)c2cnn(-c3ccccc3)c2)s1 66247473 PSPKLVFDNHAGCR-UHFFFAOYSA-N 320.399 1.860 0 40 DDAB Cc1cc(C(=O)NS(C)(=O)=O)c(C)n1Cc1ccccc1 42279462 WEBICJYXIPJQGL-UHFFFAOYSA-N 306.387 1.843 0 40 DDAB Cc1cnc(C(=O)NCc2ccccc2Cn2cccn2)cn1 14903660 GWOJEEWCOYOZDT-UHFFFAOYSA-N 307.357 1.960 0 40 DDAB CC(C)c1ccc(-c2noc(CN3CCNC(=O)C3)n2)cc1 15479742 XBMRVCYSIAGALC-UHFFFAOYSA-N 300.362 1.792 0 40 DDAB CCOC(=O)c1ccc(NC(=O)CC2=NC(=O)CS2)cc1 9156369 JQQHJACMFQWARZ-UHFFFAOYSA-N 306.343 1.864 0 40 DDAB C[C@H](Sc1nnc(CN2CCCCC2)o1)C(=O)NC1CC1 8246147 ZOFSHYAXGYTFHA-JTQLQIEISA-N 310.423 1.815 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc(N(C)C)cc1 8231741 ZPAMXJWWVCUNAW-QMMMGPOBSA-N 306.395 1.572 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cn1 69349277 MQOGPJABAIRMOG-OAHLLOKOSA-N 313.357 1.904 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCC[C@@H](n4cccn4)C3)c2n1 69390040 UTWPMXVCLZBBJD-CYBMUJFWSA-N 310.361 1.712 0 40 DDAB COCc1nnc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)s1 96295847 BSFZYOFYEQODFZ-SECBINFHSA-N 318.358 1.749 0 40 DDAB O=C1N[C@H](c2ccc(OC(F)F)c(Cl)c2)N2CCOC[C@H]12 93884179 FYVDQSBRUJDXID-KOLCDFICSA-N 318.707 1.771 0 40 DDAB Cc1nn(CC(=O)N(C)Cc2ccccc2F)c(C)c1CCO 97115027 KBIKVJXPFKNBMH-UHFFFAOYSA-N 319.380 1.832 0 40 DDAB CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Cl)cc1F 9502002 ALLYCEOQPAYCHS-UHFFFAOYSA-N 320.773 1.524 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCN(C[C@@H](C)O)[C@H](C)C1 71877512 HYKNQHVRCMNXCF-GHMZBOCLSA-N 300.834 1.269 0 40 DDAB CCN(CC)CCOc1ccccc1CNS(C)(=O)=O 71906091 UZTHIAWZTJPKOE-UHFFFAOYSA-N 300.424 1.456 0 40 DDAB CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(Cl)c1 71920729 AHQKXYGRNJTXAR-JTQLQIEISA-N 301.795 1.847 0 40 DDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCNC2)n1 72343416 OJQWVGKPYAAAGU-ZDUSSCGKSA-N 311.389 1.385 0 40 DDAB O=C(O)Cn1ncc2c([nH]c3cc(Br)ccc32)c1=O 408712508 ZQZLUXGGZQIKKI-UHFFFAOYSA-N 322.118 1.725 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](O)c1ccccc1 95461588 AHDPWJZLOOBJNW-INIZCTEOSA-N 301.390 1.819 0 40 DDAB CC(C)(CO)CNC(=O)COc1ccccc1Br 95450259 WRFOEKOJBYOONP-UHFFFAOYSA-N 316.195 1.963 0 40 DDAB O=C(C[C@@H]1COCCN1C(=O)c1ccncc1F)c1ccco1 95439882 WIKITOBUNFNGLS-LLVKDONJSA-N 318.304 1.928 0 40 DDAB O=C(c1n[nH]c(O)n1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 95441721 QLMIMGQSEAJPNS-LBPRGKRZSA-N 320.324 1.471 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCSC3)C1 95416345 MDHWFWLJKHNFGA-SECBINFHSA-N 310.444 1.875 0 40 DDAB CCN(CC)CCSc1cc(-n2nc(C)cc2N)ncn1 95966046 XNZDOKJGWCSLFY-UHFFFAOYSA-N 306.439 1.987 0 40 DDAB CC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1 95953198 QPFLVCLFMHKATN-ZDUSSCGKSA-N 317.455 1.096 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)NCCc2cccs2)C1 89310362 UJKDTVHHMCCNNU-GFCCVEGCSA-N 309.435 1.800 0 40 DDAB O=C(NCc1ccco1)C1CCN(CC[C@H]2CCOC2=O)CC1 75109020 RTVRTWRVBKMRMC-AWEZNQCLSA-N 320.389 1.561 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 89884782 JKYFOZSERCVPAI-VIFPVBQESA-N 323.340 1.605 0 40 DDAB O=C(Cc1cccnc1)Nc1c[nH]cc(Br)c1=O 89990095 SNIGPCMPZYKETB-UHFFFAOYSA-N 308.135 1.714 0 40 DDAB CCN1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 89977292 CVKGKQDJUXIOGG-UHFFFAOYSA-N 301.394 1.224 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1cn3ccsc3n1)CC2 75603614 GSRKBMQSBMNHRC-JTQLQIEISA-N 302.407 1.654 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccccn2)CC1 31558522 AXQPADZFVSJKBF-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB CCCC(=O)N1CC2(C1)OCC[C@H]2COCC(=O)N1CCCC1 306129353 IBECCBKVHIIKHK-AWEZNQCLSA-N 324.421 1.043 0 40 DDAB CC(C)(C)OC(=O)N1CCN(CCF)CCN(CCF)CC1 521395273 PPLMUTWTPWOFMN-UHFFFAOYSA-N 321.412 1.780 0 40 DDAB CCOC(=O)C1=C(COc2ccc(F)cc2F)NC(=O)NC1 31712830 XIUVRMKMGVSSFY-UHFFFAOYSA-N 312.272 1.474 0 40 DDAB COc1nn(C)cc1C(=O)NCc1cc(-c2ccco2)on1 36662469 LHDYZBXIAKWLNX-UHFFFAOYSA-N 302.290 1.607 0 40 DDAB CCCN1CCN(C(=O)Cn2ccnn2)c2cc(F)ccc21 189968602 RLJFKAFAUSUIOJ-UHFFFAOYSA-N 303.341 1.680 0 40 DDAB CN(C)c1ccc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)nc1 72388067 CSBBLEFLDQGKEP-HNNXBMFYSA-N 315.377 1.095 0 40 DDAB COc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@@H](C)c2nnn[nH]2)c1 195568013 WMEMABXRLRCNBR-DDTOSNHZSA-N 315.377 1.574 0 40 DDAB COCc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)cc1 532602489 KEGWMOFQCNETHK-UHFFFAOYSA-N 307.346 1.539 0 40 DDAB COC(=O)c1c(S(=O)(=O)Nc2ccc(C)c(C)c2)n[nH]c1C 48991514 ZPJHGPQMEMJJBY-UHFFFAOYSA-N 323.374 1.922 0 40 DDAB Cn1cncc1-c1nnc([C@H]2CCN(C(=O)c3cccnc3)C2)o1 49170803 QLQXUYJYQOPDKW-LBPRGKRZSA-N 324.344 1.495 0 40 DDAB biogenic,in-vitro CN(C)C(=O)CCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 223297565 HUAIBHIDMYYOCK-MRXNPFEDSA-N 303.362 1.164 0 40 DDAB c1ccc(N2CCN(Cc3nc(-c4cnccn4)no3)CC2)nc1 97104553 RCCUERMIDJJBMC-UHFFFAOYSA-N 323.360 1.244 0 40 DDAB O=C(Cc1cccnc1)N1C[C@@H]2OCCN(c3cccnc3)[C@@H]2C1 96081762 PYRFWUOLLUPZFR-SJORKVTESA-N 324.384 1.135 0 40 DDAB CC(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 96432183 PWMOWVUUPSHGCV-UHFFFAOYSA-N 305.422 1.907 0 40 DDAB Cc1ccc(F)c(OCC(=O)N2CCC(n3ccnn3)CC2)c1 96487030 WAQCZLNHALDGCH-UHFFFAOYSA-N 318.352 1.968 0 40 DDAB CN1CCCn2c(nc(CNC(=O)c3ccsc3)cc2=O)C1 96197659 PIUGJXYLTSCPQB-UHFFFAOYSA-N 318.402 1.070 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@@H]2O1 96065495 IRFDCPAXGRCDBV-BPUTZDHNSA-N 301.390 1.910 0 40 DDAB C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nnn[nH]1 97377623 NMSJRLUFMPEDLL-QMMMGPOBSA-N 315.786 1.277 0 40 DDAB CC(=O)N1CCC2(CCOC[C@@H]2NC(=O)c2ccccc2)CC1 96215851 BOGIDZSSUZGJQD-INIZCTEOSA-N 316.401 1.834 0 40 DDAB CCN1CCN(c2ccc(C(=O)N[C@H]3CCCOC3)cc2)CC1 96436386 XLTUWKDFMVBBKX-INIZCTEOSA-N 317.433 1.737 0 40 DDAB CCN1CCOC[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 96049611 LOYYFOREXYETBX-QGZVFWFLSA-N 303.406 1.656 0 40 DDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 247848074 HQIKJLYCFGAROL-HNNXBMFYSA-N 317.389 1.524 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1cccc(Cl)c1 257339505 ZCAAQSHKFPYUNQ-HIFRSBDPSA-N 324.808 1.748 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)nc(O)n1 257339747 ZDAMVVBKXSKROG-GFCCVEGCSA-N 315.377 1.552 0 40 DDAB c1ccc(NCC[C@H]2CCOC23CN(c2ncccn2)C3)nc1 253596808 WEMHBVGPSUVWMQ-AWEZNQCLSA-N 311.389 1.969 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2cn(C)cn2)n1 257234157 GSKOFZMGXNRXMA-HNNXBMFYSA-N 314.393 1.249 0 40 DDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccccn3)C2)c1F 253473174 RYLBGFXMWLVLAS-NSHDSACASA-N 316.336 1.867 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(c3ncccn3)CC[C@H]21 257321356 WBHPCBYFGZZWNM-UONOGXRCSA-N 304.394 1.330 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cncnc2O)ccn1 257307764 TUAAPNPGZSEDSP-ZDUSSCGKSA-N 313.361 1.621 0 40 DDAB O=C(NCC1CCOCC1)C1CCN(c2ncccn2)CC1 257281311 OOOREAVMMHVRTB-UHFFFAOYSA-N 304.394 1.236 0 40 DDAB Cc1cncc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257270767 MVOZPEMYLPVZNE-CYBMUJFWSA-N 312.373 1.504 0 40 DDAB CCO[C@@H](C)C(=O)Nc1nc(COC)c(C(=O)OC)s1 252492030 MBDFOBORCFSAFY-ZETCQYMHSA-N 302.352 1.440 0 40 DDAB Cc1nc(CCN(C)C(=O)c2cccc3c2OCCO3)no1 285974425 YJWQLFHFIYOJNP-UHFFFAOYSA-N 303.318 1.464 0 40 DDAB CO[C@]1(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CCSC1 96097726 BNKPOFWHPQVMDM-WBMJQRKESA-N 322.430 1.502 0 40 DDAB CN(C)C(=O)N1CC2(C[C@@H](COc3ccccn3)CCN2C)C1 585102616 CCROEPBCIWJDSQ-AWEZNQCLSA-N 318.421 1.538 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cccc(OC)c1 585278974 XOKGPGXFDVCYDL-KRWDZBQOSA-N 320.389 1.453 0 40 DDAB NC(=O)CCCNC(=O)COc1ccc(C(F)(F)F)cc1 44524482 KHTUEEOCLDLIKQ-UHFFFAOYSA-N 304.268 1.466 0 40 DDAB COC(=O)Cn1cc(NC(=O)Nc2cccc(OC)c2)cn1 56346143 MXGCCSGAAYYSJD-UHFFFAOYSA-N 304.306 1.709 0 40 DDAB O=C(NCc1cc2ccccc2o1)NCc1nnc2n1CCC2 57669312 CXGBKKCIWCKPCC-UHFFFAOYSA-N 311.345 1.970 0 40 DDAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cc[nH]n2)CC1=O 60168935 JCWAJZHQBJKHBP-NSHDSACASA-N 314.345 1.718 0 40 DDAB CC1CCN(CCN(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)CC1 245312426 JEBHLTIAESBLQP-HUUCEWRRSA-N 302.484 1.616 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1 88374964 UOCBIULWOQOYOC-SNVBAGLBSA-N 304.129 1.919 0 40 DDAB Cc1cc(C)nc(NC(=O)NCCN2CCC(N(C)C)CC2)c1 97378717 MXBCCKWGOYCHJP-UHFFFAOYSA-N 319.453 1.846 0 40 DDAB CN(C)S(=O)(=O)N1CCc2cc(Br)ccc2C1 190211046 IQPRSIQTAZPMLU-UHFFFAOYSA-N 319.224 1.614 0 40 DDAB COc1ccc(NC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1 1775967157 HQADDYRTVXIQLB-UHFFFAOYSA-N 317.345 1.308 0 40 DDAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458320 HQZPBZCRGFEWTB-CHWSQXEVSA-N 316.405 1.904 0 40 DDAB Cc1cc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)n(C)n1 1849572005 NINHMSUUZFIMQL-UHFFFAOYSA-N 301.394 1.821 0 40 DDAB Cc1cnc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)cn1 206834674 AYMOHUXFMKWCSO-LBPRGKRZSA-N 317.418 1.888 0 40 DDAB Cc1onc(CO)c1C(=O)N(C)C[C@@H]1OCCc2ccccc21 571222389 CQFVDESMVIORIZ-HNNXBMFYSA-N 316.357 1.861 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2nc(C)ns2)nn1 1888843450 UOJUWNFSIOMFSH-FUNVUKJBSA-N 320.422 1.957 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3ncccc3F)C2)nn1 1888849878 FPSFOBBOFWCDHN-GFCCVEGCSA-N 316.336 1.860 0 40 DDAB CCc1nc(C)c2c(C)c(C(=O)NCCNC(C)=O)sc2n1 27672211 SPNAVLXTKVGMSQ-UHFFFAOYSA-N 320.418 1.736 0 40 DDAB CN1C[C@H]2CN(Cc3ccc(Cl)cn3)CC[C@@H]2OCC1=O 2037984013 NIBRMWHMWVURKU-FZMZJTMJSA-N 309.797 1.414 0 40 DDAB Cc1ncc(C(=O)N2CC3(C[C@H](NC4CCC4)CS3)C2)cn1 2056223460 MUXFUVTVBZIYDX-AWEZNQCLSA-N 318.446 1.627 0 40 DDAB O=C(C1=COCC1)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224288 UZEMZQGRNRSSMF-OKILXGFUSA-N 314.389 1.456 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@@H](N3CCCC3)CS2)C1 2056224647 NWIJQKXJAAMXOQ-CYBMUJFWSA-N 304.419 1.273 0 40 DDAB COCCN1CCC[C@]12CCCN(C(=O)CC1(O)CCC1)CC2 1614947834 NWNVTFATNGEECM-KRWDZBQOSA-N 324.465 1.785 0 40 DDAB COCCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)cc3)C[C@@H]21 1565542166 ZLWGEPDGFFACOB-SJORKVTESA-N 302.418 1.717 0 40 DDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)NC1CCCCC1 10220587 AMMQCFFMVYEFLY-CYBMUJFWSA-N 310.394 1.237 0 40 DDAB COc1ccccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 13715755 ITOCGGVKBVSSST-UHFFFAOYSA-N 314.341 1.741 0 40 DDAB CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 100150611 AAWWSYXOHZXCPU-IPYPFGDCSA-N 302.355 1.987 0 40 DDAB Cc1cc(C)n([C@H](CNC(=O)N2CCNC2=O)c2ccco2)n1 575614184 PATKCSJEEJOFEW-GFCCVEGCSA-N 317.349 1.417 0 40 DDAB O=C(NCCOCCn1ccnc1)C1(c2ccc(F)cc2)CC1 575620972 WXKKJCSXVCKGES-UHFFFAOYSA-N 317.364 1.887 0 40 DDAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 8219017 VQWDYXWRIQSFFR-ZDUSSCGKSA-N 324.421 1.435 0 40 DDAB O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](c2ccc(F)cc2)C1 31176313 LJWCJZWCNVOONV-CYBMUJFWSA-N 303.293 1.123 0 40 DDAB O=C(NCCCn1ccnc1)c1ccc(N2CCNC2=O)cc1 40479931 ZKUOVIVRCDJNNG-UHFFFAOYSA-N 313.361 1.233 0 40 DDAB O=S(=O)(NCCc1ccccn1)c1ccc2c(c1)CCO2 40461044 CLSCERMRLZQVDV-UHFFFAOYSA-N 304.371 1.538 0 40 DDAB COC[C@@H](C)NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40548785 WNFLLBXKSACJJM-LLVKDONJSA-N 321.352 1.455 0 40 DDAB O=C(Cc1cccs1)N[C@@H]1CCCN(c2ncccn2)C1 40553677 KNNRGKWNXZHPFE-GFCCVEGCSA-N 302.403 1.866 0 40 DDAB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)c1ccccc1 101966058 CKETYMLHWZZHGX-ADNNSEGNSA-N 300.310 1.610 0 40 DDAB O=C(NC1CCN(Cc2ncno2)CC1)c1ccc(F)cc1 29720689 PDQZPIPXXOWAPP-UHFFFAOYSA-N 304.325 1.603 0 40 DDAB CO[C@@H](C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045078 KXAQDKDSCYNDCY-UONOGXRCSA-N 316.361 1.401 0 40 DDAB Cc1nn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Br 2777603 SZZFKZDVKJCUAM-IUCAKERBSA-N 316.199 1.590 0 40 DDAB CC(=O)[C@H]1[C@@H](c2sccc2C)NC(=O)N[C@@]1(O)C(F)(F)F 4387637 HFTMWFJZNYYHAM-LAEOZQHASA-N 322.308 1.867 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 69969257 YMQSRCLBMUFJFV-DOTOQJQBSA-N 302.418 1.632 0 40 DDAB O=C(Nc1nc2ccccc2s1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4646623 BBTOGGUGIGKYTH-DMWPJOQESA-N 316.338 1.889 0 40 DDAB CCC[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4761947 JOFRPFCSEYMUTH-GFCCVEGCSA-N 308.334 1.282 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)NC2CC2)c1C 33026991 HHEGDMQUPJCTDT-CYBMUJFWSA-N 324.446 1.866 0 40 DDAB C[C@@H](c1ccc(F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 21984186 OHMSWUCPAVACTR-VIFPVBQESA-N 302.309 1.182 0 40 DDAB Cn1nc(C(=O)Nc2cccc(Oc3cnccn3)c2)ccc1=O 33136535 KZOOFPZDUNXDKS-UHFFFAOYSA-N 323.312 1.615 0 40 DDAB COC(=O)C1CCN(C(=O)COc2ccccc2OC)CC1 10541831 SKSSCWOWGZEKNO-UHFFFAOYSA-N 307.346 1.486 0 40 DDAB CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCC(N)=O 8253777 WTMAZLURUGPJFY-VIFPVBQESA-N 316.785 1.073 0 40 DDAB Cc1cc(C(=O)NCCn2ncc3c2c(C)nn3C(C)C)no1 57279721 YPTQZZQHOLSLNZ-UHFFFAOYSA-N 316.365 1.849 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@H]13)O2 100634597 MCUHIBYSSDHIOM-JTOWHCCKSA-N 313.353 1.845 0 40 DDAB O=C(Cn1ccccc1=O)NCc1ccc(OC(F)F)cc1 24069055 URFZQNXMYPXDAG-UHFFFAOYSA-N 308.284 1.766 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)OCCCO2 24475268 PJJDOBZQCMIORE-UHFFFAOYSA-N 301.346 1.854 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c(C)s1 24712354 DRCKUSVOFLBHCJ-NSHDSACASA-N 316.448 1.606 0 40 DDAB CC(=O)N1CCN(c2ccc(NC(N)=S)cc2Cl)CC1 57332405 WYCDKNBIOABCMR-UHFFFAOYSA-N 312.826 1.664 0 40 DDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)Oc1ccc(Cl)cc1 28617050 VGBCWIWQNUAYNY-LLVKDONJSA-N 319.766 1.903 0 40 DDAB COc1ccc(NC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cn1 48019369 KNNNZMGMKOZLFC-VXGBXAGGSA-N 308.382 1.321 0 40 DDAB O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc[nH]c1=O 57166043 LQJPUSANDLSVGT-UHFFFAOYSA-N 312.373 1.164 0 40 DDAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(O)cc1 101964782 SABJRAZCMVQGKK-QBPKDAKJSA-N 304.342 1.610 0 40 DDAB COCCN(CCOC)C(=O)COC(=O)c1cc(C)oc1C 3320469 HMAIHQIFXOWTHJ-UHFFFAOYSA-N 313.350 1.175 0 40 DDAB C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccco1 58160254 SPSLHUUZZNCUFA-NSHDSACASA-N 319.336 1.923 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cccs1 44893401 UHPMIVRGBYSXKD-VIFPVBQESA-N 307.375 1.243 0 40 DDAB Cc1nc(COc2ccc(C(=O)NC3=NCCS3)cc2)no1 44894218 ODWZNXJJLRCEHJ-UHFFFAOYSA-N 318.358 1.790 0 40 DDAB Cc1cc(C)n(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)n1 24546282 DEONIKNHTCECJR-UHFFFAOYSA-N 315.402 1.775 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)N2CCO[C@@H](C)C2)nc1 72230655 BXRUNOPIWHTLNU-LBPRGKRZSA-N 306.366 1.149 0 40 DDAB Cn1c(CN(Cc2ccco2)C2CCCC2)cc(=O)n(C)c1=O 44975959 IPKKLSNRSJHKNT-UHFFFAOYSA-N 317.389 1.622 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)Cn1nnc2ccccc2c1=O 58315216 SZXIRKBHTMMGCH-OAHLLOKOSA-N 324.384 1.284 0 40 DDAB CNC(=O)C1(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 58305120 FIJHMBZPVGPMAG-UHFFFAOYSA-N 303.318 1.108 0 40 DDAB CCN(CC)CCC[C@@H](C)NC(=O)CNC(=O)c1ccoc1C 58309455 HLEIAHIRUOLTMW-CYBMUJFWSA-N 323.437 1.945 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 28016252 VPSYIKOBFPEPSY-AWEZNQCLSA-N 307.394 1.304 0 40 DDAB Cc1nnc2ccc(N3CCC(CN4CCCC4)CC3)nn12 48368690 OZRWRBIPBKEQKV-UHFFFAOYSA-N 300.410 1.745 0 40 DDAB CCOc1ncccc1C(=O)NCCc1nnc2ccccn12 11546243 MQVLXQIHBLSWEX-UHFFFAOYSA-N 311.345 1.496 0 40 DDAB Cc1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)nc1 29437614 OKJYISDAKJNCNL-CQSZACIVSA-N 323.356 1.449 0 40 DDAB CN(CCCc1ccccc1)CC(=O)N[C@H]1CCCCNC1=O 46087463 KLTCUQMWGJKCIF-INIZCTEOSA-N 317.433 1.336 0 40 DDAB CCc1c(/C(O)=N/S(C)(=O)=O)cnn1-c1ccc(F)cc1 48487072 JDPOGFFHNSVNAN-UHFFFAOYSA-N 311.338 1.838 0 40 DDAB CCc1ccc([C@H](CNC(=O)c2nccnc2N)N(C)C)cc1 12949152 QIEJPFUFTMVFAZ-AWEZNQCLSA-N 313.405 1.654 0 40 DDAB Cc1cc(N2CCN(C(=O)/C=C/c3cccnc3)CC2)nc(C)n1 71889655 ZEGGDQLZFNYJFB-AATRIKPKSA-N 323.400 1.850 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 71866892 PNZFVCCHIAYEMR-LLVKDONJSA-N 305.407 1.910 0 40 DDAB O=C(Cn1cnc2cc3c(cc21)OCCO3)N1CCCCC1 64794774 MZMVKFAFCRFEMA-UHFFFAOYSA-N 301.346 1.820 0 40 DDAB O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1ccc2c(c1)CCC2 6084882 CWEIQUCNABPDOV-UHFFFAOYSA-N 312.325 1.604 0 40 DDAB CC(NCc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4325421 OHDYUGCPIPXRLL-UHFFFAOYSA-N 305.309 1.240 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CN1C(=O)CCOc2ccccc21 65437310 CRCLCQCDNJCDQG-QWHCGFSZSA-N 318.373 1.438 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C 65591807 FYBCIBQYVVXDRT-QWHCGFSZSA-N 308.430 1.360 0 40 DDAB O=C(NN1C[C@H](C(=O)O)CC1=O)c1ccc(Cl)cc1Cl 4555489 URPPIUACTSHDKN-ZCFIWIBFSA-N 317.128 1.571 0 40 DDAB Cc1ccc2c(COC(=O)C3=NNC(=O)CC3)cc(=O)oc2c1 6597641 SVMHZETYOOFFMZ-UHFFFAOYSA-N 314.297 1.411 0 40 DDAB COc1cc(-c2nnc3n2N=C(O)CS3)cc(OC)c1OC 9088016 BSLBPXOFZRKHQX-UHFFFAOYSA-N 322.346 1.796 0 40 DDAB Cc1cc(C)c2c(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)n[nH]c2n1 71284677 OBIMBSPRXYLZRF-UWVGGRQHSA-N 302.334 1.870 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n(C)n1 66247733 MBYLSNYIXQBBMN-UHFFFAOYSA-N 309.347 1.301 0 40 DDAB CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4749855 PSJNFAYVAYWSCL-LVDDQXARSA-N 313.806 1.999 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382008 XECGOQLECKSGMU-BRXULGCHSA-N 303.314 1.678 0 40 DDAB CN([C@@H]1CCNC1)S(=O)(=O)c1ccccc1OC(F)(F)F 71310381 GKRPBRFCHTVJIL-SECBINFHSA-N 324.324 1.568 0 40 DDAB Cc1ccc(CC(=O)N2CCN(CC3(C)COC3)CC2)cc1 71914001 NXVVUXGZTWDISU-UHFFFAOYSA-N 302.418 1.718 0 40 DDAB C[C@@H](Sc1ncnc2sccc12)C(=O)N1CCNC1=O 7363481 BWMGGMYAMYEGKM-SSDOTTSWSA-N 308.388 1.724 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)cc1 80525439 QWUIUZWMUGJPSC-CJNGLKHVSA-N 313.357 1.728 0 40 DDAB Cc1ccccc1CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 81090665 ICMPYNSUWOMNAK-INIZCTEOSA-N 316.401 1.434 0 40 DDAB CN(C)[C@@H](CNc1ncc(S(N)(=O)=O)s1)c1ccco1 68658552 JVKFWFHDTDBSHS-QMMMGPOBSA-N 316.408 1.098 0 40 DDAB O=C1CC[C@@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)N1 81287427 WTPBITWEXGUJMA-JSGCOSHPSA-N 304.415 1.906 0 40 DDAB C[C@@H]1CCC[C@@H](OCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 71902866 NJFQIQJNNHOGST-BMFZPTHFSA-N 318.417 1.795 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2Cn2nc(C)cc2C)n1 70006642 MBPCTPOAAOWIHR-CQSZACIVSA-N 319.409 1.736 0 40 DDAB O=C(CN1C(=O)S/C(=C/c2ccoc2)C1=O)N1CCCC1 408553053 WKACPZAYRPREFV-YRNVUSSQSA-N 306.343 1.938 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)c(=O)n1C 69432085 TWQPLQBYUYWALV-ZDUSSCGKSA-N 300.362 1.368 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1F 69457188 FJCBFWGAGWDVJW-HNNXBMFYSA-N 321.396 1.498 0 40 DDAB c1ccc(Cn2cc(CN[C@@H]3CCc4ncnn4C3)cn2)cc1 69491626 STCGQHPNKGBRSM-MRXNPFEDSA-N 308.389 1.628 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCC(N2CCCC2=O)CC1 69414802 XZHMWVHMLYQEBP-CQSZACIVSA-N 307.438 1.474 0 40 DDAB CCn1ccc(=O)nc1SCCS(=O)(=O)c1ccccc1 69562736 OKRKHTHJTLJDHB-UHFFFAOYSA-N 324.427 1.829 0 40 DDAB CC(C)c1nc(CCNC(=O)N[C@H](C)c2nncn2C)cs1 69697119 YQXJQLVQUAIXAA-SNVBAGLBSA-N 322.438 1.998 0 40 DDAB O=C(CCc1ccco1)NS(=O)(=O)CCc1ccccc1 69744347 RBTLBOQCQDEZKU-UHFFFAOYSA-N 307.371 1.901 0 40 DDAB CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCC(=O)N(C)C1 96415429 BRXTZIMPQZQNKK-GJZGRUSLSA-N 303.406 1.928 0 40 DDAB COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c(F)c1 72269058 AXLCXQDOGITOQR-HZPDHXFCSA-N 322.380 1.506 0 40 DDAB Cc1cccc(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 72269503 QHRQJLNSZGMUGU-ZWKOTPCHSA-N 316.445 1.985 0 40 DDAB COc1ccc2nc(N3CCS(=O)(=O)[C@@H](C)C3)ccc2c1 97142366 OUEXJYJOPSWNAF-NSHDSACASA-N 306.387 1.867 0 40 DDAB NC(=O)CN1CCC(Nc2cncc(Br)c2)CC1 84338585 HDMDNIMFRZHVRE-UHFFFAOYSA-N 313.199 1.206 0 40 DDAB C[C@H](C(=O)NCCOC(N)=O)c1ccc(Br)cc1 97371423 FPLAIFRWFCFNCI-QMMMGPOBSA-N 315.167 1.764 0 40 DDAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(N)cc1)CO2 97376015 DPTOTDKXFXBDRM-AWEZNQCLSA-N 304.371 1.989 0 40 DDAB CNC(=O)NC(=O)CN1CCN(CC2CC2)c2ccccc21 72696289 JRNAQTJPGWJZLO-UHFFFAOYSA-N 302.378 1.179 0 40 DDAB CC1CCN(C(=O)Cn2cncc(Br)c2=O)CC1 95414760 XXAJHQFYGHLQAC-UHFFFAOYSA-N 314.183 1.264 0 40 DDAB CCc1nccn1CC(=O)Nc1cccc(C(=O)N(C)C)c1 95441059 LHXUHDSKHLXMTD-UHFFFAOYSA-N 300.362 1.786 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(C(N)=O)C1 95439522 SXBYETLDKGCRFE-GWCFXTLKSA-N 309.797 1.788 0 40 DDAB CC(C)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)S(C)(=O)=O 75093828 ZTLWORGBNHHPKY-UHFFFAOYSA-N 313.206 1.875 0 40 DDAB Cc1cc(C(=O)N2CCN(C)C[C@H]2C)ccc1N1CCNC1=O 89589014 PQSRLGVCHVCPFZ-CYBMUJFWSA-N 316.405 1.301 0 40 DDAB CC(C)N1CCC[C@H](CNC(=O)NCCNc2ncccn2)C1 75128162 YRSCVQZXQMWERE-CQSZACIVSA-N 320.441 1.308 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89834988 GJBMELOEKYJHOB-HOTGVXAUSA-N 312.373 1.135 0 40 DDAB CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(N(C)C)cc1F 122516193 XIGWLAYYJXYIIX-CQSZACIVSA-N 307.369 1.632 0 40 DDAB CCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)C1 73514314 OOWZKPXKTSGEDV-NVXWUHKLSA-N 323.481 1.620 0 40 DDAB Cc1nc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cs1 73472897 DQLVLVOQKLBGFS-ZYHUDNBSSA-N 324.450 1.039 0 40 DDAB C[C@@]1(c2ccccc2)CCCN(CCCN2C(=O)CNC2=O)C1 79097537 MNCHSMAQEPSJRU-GOSISDBHSA-N 315.417 1.982 0 40 DDAB CCn1ncc(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C 36624030 NPTZEOQWGAHHSZ-KGLIPLIRSA-N 305.378 1.837 0 40 DDAB O=C1NCCC[C@H]2c3cc(O)ccc3O[C@@]12N1CCCCC1 55246644 OWZTXJOOQNXRBC-WMLDXEAASA-N 302.374 1.960 0 40 DDAB biogenic CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1 37867297 USRDNNJTZJGRBH-UHFFFAOYSA-N 314.389 1.712 0 40 DDAB Cn1c(Cl)cnc1CN1CCC(c2ccnn2CCO)CC1 71851863 IOYFIXPDJMXYPE-UHFFFAOYSA-N 323.828 1.642 0 40 DDAB Cc1cc(N2CCN[C@@H](C)C2)c(Cl)cc1S(C)(=O)=O 39320877 SABRZRLYXKXYGS-JTQLQIEISA-N 302.827 1.850 0 40 DDAB O=C1NCCC[C@@H]1N1Cc2cc(Br)ccc2C1=O 2362803202 MXZXFYUKMWHJNL-NSHDSACASA-N 309.163 1.684 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(N)C(=O)O 218576197 LIEZWOARQLCJMM-NHCYSSNCSA-N 303.767 1.023 0 40 DDAB O=C(O)/C(Cl)=C(/Cl)C(=O)NC1(C(=O)O)CCCCC1 35572186 QXUDWBIOORUHKZ-SREVYHEPSA-N 310.133 1.664 0 40 DDAB CC(=O)NC1CCC(N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 133488388 HYTAYWVTDSQEHO-YMAMQOFZSA-N 319.453 1.753 0 40 DDAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-n2cccc2)cc1 74889704 CJQYUXQGGMTACK-CQSZACIVSA-N 309.369 1.970 0 40 DDAB Cn1nnn(-c2ccc(NC(=O)CCc3ccccc3)cc2)c1=O 75163115 NXRSKDCAUKEDOC-UHFFFAOYSA-N 323.356 1.537 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2nc(C)no2)n1 41123257 NZZQZCCEQUTDAM-ZDUSSCGKSA-N 303.366 1.945 0 40 DDAB C[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)[C@@H]1CN(C)CCO1 195555394 OATBAUVGGWNIJA-QEJZJMRPSA-N 321.425 1.365 0 40 DDAB COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3cccs3)CC[C@H]12 96041101 FMRAWIYUZRRVRR-BPLDGKMQSA-N 308.447 1.969 0 40 DDAB Cn1c2c(c(=O)n1C)CN(C(=O)c1cccc(F)c1)CCC2 96201043 LDCLQTJSQKINNI-UHFFFAOYSA-N 303.337 1.452 0 40 DDAB CO[C@H](C(=O)NC[C@H](C)N1CCN(C)CC1)c1ccccc1 96403431 VXOGGOYDEQVCLP-HOCLYGCPSA-N 305.422 1.126 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 96063668 FYGGWPPTMDKCFW-TXEJJXNPSA-N 300.387 1.747 0 40 DDAB Cn1cc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)cn1 96427136 JBFLRMPOSVFPGC-MRXNPFEDSA-N 314.389 1.650 0 40 DDAB CN(C)CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccoc2)O1 96186676 YNAZJQJONKEMTG-PMPSAXMXSA-N 322.405 1.620 0 40 DDAB O=C(O)[C@@H]1C[C@@H](N2CCCC2)CCN1C(=O)Cc1ccsc1 96069051 UCNJBICUHSVSST-KBPBESRZSA-N 322.430 1.831 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1 96066203 TUSGICNPXJOIAC-BHYGNILZSA-N 321.465 1.230 0 40 DDAB O=C(c1cccs1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246493 ARJXGSQBUDUHAU-MJBXVCDLSA-N 322.430 1.452 0 40 DDAB CN1C(=O)[C@]2(C[C@H]2C(=O)NCc2cccnc2)c2ccccc21 96243417 DHIMKOAVFLYAKM-KBXCAEBGSA-N 307.353 1.632 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96062309 KVGVDOMBXFKKGP-SFHVURJKSA-N 322.424 1.996 0 40 DDAB CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1cc(F)ccc1F 96419060 FDXGGDIZHMCHRE-GFCCVEGCSA-N 320.361 1.424 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C[C@H](C)Cc2ccccc2)C1 249396903 BFVDPUSLUBPVQB-GDBMZVCRSA-N 310.463 1.879 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1 257330607 XPBQWKUXDWCCMJ-LLVKDONJSA-N 324.768 1.892 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2nccc3ccccc23)[C@H]1O 257259846 LAHLSHIUHCHQAT-IIAWOOMASA-N 300.358 1.845 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257331091 XRIHOGSTAVGHNR-ZDUSSCGKSA-N 303.366 1.201 0 40 DDAB O=C(CO)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257273122 NFIXHFNDAUPBMG-UHFFFAOYSA-N 312.373 1.919 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](c2ccncc2)C1 257230489 GCNUJMJBERGTNW-OAHLLOKOSA-N 300.362 1.564 0 40 DDAB CO[C@H]1CCN(C(=O)CCc2cnn(C)c2)C[C@@]12CCCO2 257213291 CGXZCPHPYHGCOJ-HOCLYGCPSA-N 307.394 1.149 0 40 DDAB CCOc1ncccc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1 257277223 NWXUSKIGNGSXQY-QGZVFWFLSA-N 319.405 1.153 0 40 DDAB O=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1ccc(Cl)cc1Cl 585284168 FRTSYPIZVUSXAT-HFKOZYHYSA-N 320.172 1.091 0 40 DDAB CCOCc1nnc2n1CCN(Cc1ccncc1)[C@H](C)C2 585097077 FLAIXIMMGMQONW-CYBMUJFWSA-N 301.394 1.656 0 40 DDAB Cc1c(C(=O)NC2CCCC2)cnn1[C@@H]1CCS(=O)(=O)C1 49657989 LKHUYOVIRNAJKL-GFCCVEGCSA-N 311.407 1.224 0 40 DDAB C[C@@H]1CCc2c(C(=O)N3CCO[C@H](C(=O)O)C3)csc2C1 59226895 DYQXSKDMKSZKQB-SKDRFNHKSA-N 309.387 1.799 0 40 DDAB CCc1nnc(CN2CCCC[C@@H]2Cn2nc(C)nc2C)o1 69601227 JMGQPVGNXZYGEJ-CYBMUJFWSA-N 304.398 1.895 0 40 DDAB CC(C)c1nc(CN[C@H]2CCCN(c3cccnn3)C2)no1 69737989 ZCOCPWXAWRAYBJ-LBPRGKRZSA-N 302.382 1.742 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)C(=O)N3CCCC3)C2)n1 69846360 ROLAKNWQMQDNRT-BBRMVZONSA-N 319.453 1.618 0 40 DDAB COC[C@H](C)NC(=O)CN1CCC[C@@H]1c1noc(C2CC2)n1 72300059 FOIQRXKZTMUDEA-CMPLNLGQSA-N 308.382 1.235 0 40 DDAB COC(=O)C1(NCCn2cnc3ccsc3c2=O)CCCC1 89422587 GCIGDMQYORUGFC-UHFFFAOYSA-N 321.402 1.533 0 40 DDAB CSc1ncc(Br)c(=NCc2nnc(C)o2)[nH]1 1889096856 WHSSOBHGWFSPAI-UHFFFAOYSA-N 316.184 1.686 0 40 DDAB CN1C(=O)N(C2CCCCC2)C(=O)[C@](C)(CN2CCCC2)C1=O 5664967 RDQFZTFJCHENPM-QGZVFWFLSA-N 321.421 1.842 0 40 DDAB CCCNC(=O)CSc1nncn1-c1cccc(OC)c1 5895400 SVLQBCDXFYPOIL-UHFFFAOYSA-N 306.391 1.894 0 40 DDAB Cc1nnc(O)nc1SCC(=O)N[C@@H](C)c1ccccc1 11990608 QNGNVDJGPIYLIZ-VIFPVBQESA-N 304.375 1.855 0 40 DDAB COC(=O)[C@H](C)CS(=O)(=O)NC(C)(C)c1cccc(F)c1 152036484 ZILSPSCBCNMCCC-SNVBAGLBSA-N 317.382 1.789 0 40 DDAB Cc1cnc(C(=O)N2CCN(Cc3ccsc3)CC2)cn1 22696776 NOESSIKSPKIKMX-UHFFFAOYSA-N 302.403 1.805 0 40 DDAB O=C([C@H]1CN(c2ccncc2Cl)CCO1)N1CCCCC1 1888881874 ZLGDMUNGAWXYPT-CQSZACIVSA-N 309.797 1.953 0 40 DDAB Cc1cnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nc1 1888930634 VNYGJJVESDGCOU-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(CS(C)(=O)=O)cc1 31390703 DQWSSEYGCRJOFB-GFCCVEGCSA-N 321.402 1.246 0 40 DDAB COCCNC(=O)NC[C@@H](c1ccoc1)N1CCSCC1 245171697 XQNGAZYPSYYHCM-ZDUSSCGKSA-N 313.423 1.315 0 40 DDAB Cc1ccsc1CN1CCO[C@@]2(COCC(=O)N(C)C2)C1 2037980761 HOYRSZRZABPVGQ-OAHLLOKOSA-N 310.419 1.116 0 40 DDAB Cn1nccc1-c1ccc(CNC(=O)c2ccncc2F)cn1 575621059 XNAXBMIHNRMCML-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccco1 30584132 RCRFVCXFORHEDQ-ABZNLYFFSA-N 312.391 1.223 0 40 DDAB CCS(=O)(=O)N1CCN(c2cnc3ccccc3n2)CC1 52088708 GQRIXVFNESNMOT-UHFFFAOYSA-N 306.391 1.102 0 40 DDAB CCN(C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O)C1CC1 32331240 STUIMEDAYRHYMN-LBPRGKRZSA-N 315.373 1.855 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1 32415181 NASAUCFYHGXUKI-LLVKDONJSA-N 300.355 1.163 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCN1c1nccs1 71896077 RPCKBTWPCHNSIX-STQMWFEESA-N 309.435 1.997 0 40 DDAB CCOCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 76023258 IZFKFRRBSJUSOP-NEPJUHHUSA-N 300.399 1.833 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cncnc3C)CCO2)n1 76046039 HGZMFVIJHLFNOV-GFCCVEGCSA-N 316.365 1.069 0 40 DDAB CC(C)n1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2 1357606 PEUIWNYJHHEBSA-UHFFFAOYSA-N 321.362 1.714 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@@H](CO)C2)c1 76139033 JRRCWPSPSZWEBU-GFCCVEGCSA-N 316.365 1.207 0 40 DDAB O=C(CCNC(=O)[C@@H]1COc2ccccc21)NCc1ccccc1 78680925 HMFUPBIOHJNWIJ-MRXNPFEDSA-N 324.380 1.985 0 40 DDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)O 78714160 NPIMSABBDNUDNS-HNNXBMFYSA-N 320.389 1.764 0 40 DDAB COc1ccccc1-c1cnc(CN2CCCS2(=O)=O)o1 78968076 KMVXLSZIEHKELV-UHFFFAOYSA-N 308.359 1.886 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)CN2CSCC2=O)cc1 21622626 JYJYLYVIGGWRRB-CQSZACIVSA-N 320.414 1.892 0 40 DDAB CN(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 41247078 NCFDHJXHUVOVIO-HNNXBMFYSA-N 303.406 1.881 0 40 DDAB Cc1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 7988993 XGFQNNXDNOMVJF-UHFFFAOYSA-N 319.386 1.964 0 40 DDAB CCc1nc(CS(=O)(=O)Cc2cc(F)ccc2OC)n[nH]1 97097947 WQVVBMZYTKZDPI-UHFFFAOYSA-N 313.354 1.630 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ccccc2)C1 46951075 FCMMDVKCLXYGBO-ZBFHGGJFSA-N 317.433 1.886 0 40 DDAB COC(=O)c1ccsc1NC(=O)C(=O)c1c(C)nn(C)c1C 59326230 AIFUILLVYDKVIG-UHFFFAOYSA-N 321.358 1.706 0 40 DDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 556153 GQXHITYRCGIMGV-VXGBXAGGSA-N 312.366 1.178 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1csc(Br)c1 37505919 MNPBFVRKGWTDLD-QMMMGPOBSA-N 317.208 1.909 0 40 DDAB O=C(NCCCO)NCc1ccc(N2CCCCCC2)nc1 47598328 ITXLDECPKRWIDP-UHFFFAOYSA-N 306.410 1.644 0 40 DDAB CCOCc1ccc(CNC(=O)CCSCC(N)=O)cc1 23150473 VJZYIJFQIOQDTO-UHFFFAOYSA-N 310.419 1.448 0 40 DDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COc1ccccc1 24209989 CEBSGWNCEQEHJS-YUELXQCFSA-N 303.358 1.602 0 40 DDAB O=C(CCCn1cnc2ccccc2c1=O)NCc1cccnc1 24614917 SEFKPWIBOBYZBC-UHFFFAOYSA-N 322.368 1.888 0 40 DDAB O=C(c1ccoc1)N1CCN(C(=O)c2ccccc2O)CC1 25234530 HIJKRKVEPUYGRT-UHFFFAOYSA-N 300.314 1.583 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CCO2)n1 107055643 NLFNKXVWDPGNNV-ZNMIVQPWSA-N 312.373 1.817 0 40 DDAB Cc1cc(NC(=O)CN2CCN(C)C[C@H]2C)n(C(C)(C)C)n1 107580612 KEFBTSPSDQZZQC-CYBMUJFWSA-N 307.442 1.521 0 40 DDAB O=C(N[C@H]1CCSC1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 20638810 FWMJUKZGFMXGHD-OLZOCXBDSA-N 305.403 1.052 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc(C)c(C)c2=O)c1 97082295 YZTAAOWDFRRRDE-OAHLLOKOSA-N 302.374 1.917 0 40 DDAB O=C(COC(=O)c1cccs1)NCc1ccc2c(c1)OCO2 3317029 AVOFGCLHPJXSGN-UHFFFAOYSA-N 319.338 1.950 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCN(Cc3nc(C)no3)CC2)c1 27452274 CNHOXDZPMNOOLD-UHFFFAOYSA-N 314.389 1.953 0 40 DDAB CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@H](C)CC)CC2)n1 44744127 ACVHSPHGIDECNR-CHWSQXEVSA-N 323.441 1.225 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(C(C)(C)C)c1 72275633 GMTBAEJXQHGIJD-TZMCWYRMSA-N 323.393 1.649 0 40 DDAB Cc1occc1-c1nnc(SCCCN2CCOCC2)n1N 58162909 FMNCZDAMDBAUQP-UHFFFAOYSA-N 323.422 1.375 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)cc(F)c1 72294327 UBQOINYADUNFHW-RNCFNFMXSA-N 312.316 1.571 0 40 DDAB c1cc(CNC[C@@H]2CNc3ccnn3C2)cc(Cn2ccnc2)c1 58291746 FTFUWNVMVXMTSL-QGZVFWFLSA-N 322.416 1.959 0 40 DDAB O=C(c1ccccn1)N1CCC(CCN2CCOCC2)CC1 58277927 XXPYMPMRFZYXRC-UHFFFAOYSA-N 303.406 1.656 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N2[C@H](C)CCC[C@H]2C)on1 44938163 FKAPGWBCDVZYGR-VXGBXAGGSA-N 314.407 1.687 0 40 DDAB C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1cncn1 44910989 QMUQKKPUWHYBKQ-FZMZJTMJSA-N 304.325 1.578 0 40 DDAB COC[C@H](C)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 28277208 QSQMGJJCURHUSY-DJTWPOEFSA-N 302.374 1.743 0 40 DDAB C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc2c(c1)OCCO2 48354507 BWBPQFXBPCULNI-NSHDSACASA-N 314.341 1.648 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCCC1)C2=O 3458075 LVEKEIUGOGDUBJ-UHFFFAOYSA-N 321.421 1.936 0 40 DDAB CC(C)COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 408598125 XDSZQXWDYQONLC-NTUHNPAUSA-N 318.329 1.699 0 40 DDAB Cc1cccc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 49373061 ITAMSRKQRFNNAD-NEPJUHHUSA-N 313.444 1.779 0 40 DDAB CCN(C)C[C@@H]1CCN(C(=O)CNc2ccccc2OC)C1 96432440 UIAQTIHXXMAFRZ-AWEZNQCLSA-N 305.422 1.907 0 40 DDAB O=C(NCc1cccnc1)C(=O)Nc1cccc2nsnc12 13691829 LOASVSUXGQZIQQ-UHFFFAOYSA-N 313.342 1.341 0 40 DDAB Cn1c(=O)n(C)c2cc(NC(=O)CC(C)(C)CC(=O)O)ccc21 64611608 NIOJTJRMHOFFIX-UHFFFAOYSA-N 319.361 1.707 0 40 DDAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@@H]1CCN(C2CC2)C1 96499711 WEUTWINYIHZPFI-DZKIICNBSA-N 309.454 1.663 0 40 DDAB NC(=O)COc1ccc(Cl)cc1[C@@H]1NCCc2[nH]cnc21 65386048 KRHRBRYYPBRGNG-ZDUSSCGKSA-N 306.753 1.162 0 40 DDAB CO[C@H](C(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 96414091 BMKNHHIDLOIJRT-AWEZNQCLSA-N 309.329 1.989 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)c(=O)[nH]1 65551587 XRHPXZUAQZERRU-UONOGXRCSA-N 322.405 1.582 0 40 DDAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)NC2CC2)C1 65614189 XARREFLRXSUEBV-ZDUSSCGKSA-N 306.341 1.894 0 40 DDAB Cc1c(C(=O)N2CCNC(=O)CC2)cnn1-c1ccc(F)cc1 65902373 YQJFWCNLIVYLME-UHFFFAOYSA-N 316.336 1.282 0 40 DDAB O=C(C[C@@H](CN1CCC(O)CC1)C(=O)O)Nc1ccc(F)cc1 71288945 YXOLGLQOBKTYFB-NSHDSACASA-N 324.352 1.312 0 40 DDAB O=C1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCN1 7216375 WVMHSBXXXYCKCH-UHFFFAOYSA-N 322.430 1.855 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C[C@H](C)O1 7495049 PWTJPASYOOMJMR-UWVGGRQHSA-N 307.375 1.094 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 306135843 PCMRJGXOBNTQDT-IPYPFGDCSA-N 302.374 1.734 0 40 DDAB CCCCc1nc(CN2CCC[C@@H](N3CCNC3=O)C2)no1 71841073 SFSKQFYDIIDHAI-GFCCVEGCSA-N 307.398 1.402 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 71871122 ZYTPFYMZXQVSHR-CFVMTHIKSA-N 306.381 1.454 0 40 DDAB CN(CCNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9336811 IZNNTZGRPZHLSI-UHFFFAOYSA-N 322.368 1.789 0 40 DDAB COc1ccc(CCN[C@@H](C)CS(C)(=O)=O)cc1OC 81898648 UWZVRZPSTNVULL-NSHDSACASA-N 301.408 1.269 0 40 DDAB O=C(CN1CCC[C@H]1CO)Nc1ccccc1OC(F)F 69627074 NVWGZDVWUNACNC-JTQLQIEISA-N 300.305 1.683 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCCN2C[C@H](O)Cn2cccn2)n1 69875353 YIEJEAZGYRONSG-HOTGVXAUSA-N 318.425 1.007 0 40 DDAB C[C@H]1CC(=O)N(C[C@@H](O)c2ccc(Br)cc2)C1=O 83975538 KIGUDJFLHZEKMB-GZMMTYOYSA-N 312.163 1.878 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@@H](O)c1ccc(Cl)cc1 97159797 SGJNPAIMBNUPEN-MRXNPFEDSA-N 323.824 1.969 0 40 DDAB O=C(Cc1ccccc1C(=O)O)NCc1nnc2ccccn12 72401614 CRZVJFAWCKMFOS-UHFFFAOYSA-N 310.313 1.286 0 40 DDAB O=C1NC2(CCN(Cc3ccncc3)CC2)Nc2ncccc21 95394214 BQKOQQQAOMIUKC-UHFFFAOYSA-N 309.373 1.624 0 40 DDAB CN(C)CCCCN(C)S(=O)(=O)c1cncc(Cl)c1 95437327 ZLGDANVOZUHSCT-UHFFFAOYSA-N 305.831 1.697 0 40 DDAB C[C@H](O)CCN(C)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 95461426 JUHCHSQPRGQDKW-NSHDSACASA-N 316.361 1.245 0 40 DDAB Cn1cc(N2CCN(C(=O)CCOc3ccccc3)CC2)cn1 74394113 ZZOKHOOAUPOEDW-UHFFFAOYSA-N 314.389 1.538 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)c(=O)[nH]1 75120256 SCPLMIOFOTTYMO-UHFFFAOYSA-N 323.356 1.253 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@H](C)Cn2ccnc2)c(=O)[nH]1 75111271 YXIMEKQAXSDGPM-GFCCVEGCSA-N 303.366 1.076 0 40 DDAB C[C@H](CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1)Cc1cccs1 89904269 AMBKGTUCRJISMM-RYUDHWBXSA-N 321.446 1.989 0 40 DDAB CCOC(=O)NCCC(=O)NCc1nc(C)n2c1CCCC2 89984750 KTXMJABFUXQYEI-UHFFFAOYSA-N 308.382 1.280 0 40 DDAB COC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2cc(C)ccc2C)CCO1 75582740 NINOBZAIKYAKSB-DZGCQCFKSA-N 320.389 1.948 0 40 DDAB CCc1nc(CN2CCCN(C[C@@H]3CCCCO3)CC2)no1 75603230 YXMNPMXHHLQOGL-AWEZNQCLSA-N 308.426 1.709 0 40 DDAB Cc1cc(SCC(=O)NCc2ccc(F)cc2)nc(=O)[nH]1 4314660 XAYMMYIFFNSHDX-UHFFFAOYSA-N 307.350 1.626 0 40 DDAB Cc1ccccc1CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1C 32508734 IBLOHHDCRAWTHF-STQMWFEESA-N 310.444 1.695 0 40 DDAB COCCN1CCN(C(=O)c2ccc(Cl)cc2C)CC1=O 121010380 VXVHKNLNKUWDML-UHFFFAOYSA-N 310.781 1.579 0 40 DDAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCS(N)(=O)=O)cc1 77613163 LFIOKERLITZDSF-ZIAGYGMSSA-N 310.419 1.318 0 40 DDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccno3)cc21 38692545 LZPNFXJNMIOTGB-UHFFFAOYSA-N 321.358 1.639 0 40 DDAB Cc1cc(C(=O)Nc2ncnc3c2cnn3C)c2c(C)noc2n1 36617410 SEAFZPYGZXUCMD-UHFFFAOYSA-N 323.316 1.769 0 40 DDAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218629658 QRJAPCLRNUHVBA-HRCADAONSA-N 320.389 1.422 0 40 DDAB CC(C)c1noc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 41122526 IKQAHQBHPPKRKV-NSHDSACASA-N 303.366 1.946 0 40 DDAB Nc1nn(-c2ccc(Br)cn2)nc1Br 89262624 VLLCQNGUITXAPI-UHFFFAOYSA-N 318.960 1.770 0 40 DDAB S=C(NC[C@H]1CCCO1)Nc1cnc(Br)cn1 223897920 LUKNNOLBRVIVGG-SSDOTTSWSA-N 317.212 1.705 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCCn1ccnc1 222420942 YQFSMMHEUONBBL-CRWXNKLISA-N 303.362 1.302 0 40 DDAB O=C(c1cccc2[nH]ncc12)N1CCN([C@@H]2CCC[C@H]2O)CC1 89774382 BHYAZPHUFOWNIK-HZPDHXFCSA-N 314.389 1.234 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc2sncc2c1 191334587 IXXCOIMQDJUTCP-UHFFFAOYSA-N 313.404 1.516 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@H]3C2)no1 97953830 JYMARICFYVLVQV-IMJJTQAJSA-N 319.405 1.585 0 40 DDAB CN(C)CC(=O)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 96226225 IVGXIPNFBNTGDF-SFHVURJKSA-N 317.433 1.446 0 40 DDAB COc1cc(F)c(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1F 97101228 HNMJGEPWARGURF-MRVPVSSYSA-N 323.303 1.701 0 40 DDAB O=C1NCCN(CC2CC2)C12CCN(Cc1cccnc1)CC2 96230421 MSCZRLYTWJYBCN-UHFFFAOYSA-N 314.433 1.258 0 40 DDAB Cc1nc(CN2CCC3(C2)CN(C(=O)CN(C)C)C3)cs1 96202536 LCRZUXMNHMFLKR-UHFFFAOYSA-N 308.451 1.047 0 40 DDAB C[C@H]1C[C@H](Nc2cnn(CC(=O)N3CCOCC3)c2)CC[C@H]1C 97095178 HUDZUIDOBRFBPG-QLFBSQMISA-N 320.437 1.979 0 40 DDAB O=C(NCC1(c2ccccc2Cl)CC1)NC[C@]1(O)CCOC1 95449914 LKHPVHZYZYSRTE-MRXNPFEDSA-N 324.808 1.822 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 96219017 JUBBFSAEELTZFB-PBHICJAKSA-N 312.373 1.895 0 40 DDAB CO[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108571 DEOLICKWKAOGBY-RRFJBIMHSA-N 316.405 1.048 0 40 DDAB O=S(=O)(N1CCOCC1)N(Cc1ccccc1)CC(F)F 96451138 BEUGTJLGBDLULZ-UHFFFAOYSA-N 320.361 1.331 0 40 DDAB c1cncc(OC[C@@H]2CCOC23CN(C2CCOCC2)C3)c1 253596270 PGYZBHPSLJTIFY-AWEZNQCLSA-N 304.390 1.730 0 40 DDAB CNc1cc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)ccn1 257281366 OOVTWHBUXMIJSW-OAHLLOKOSA-N 318.421 1.162 0 40 DDAB Cc1cncc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257263309 LPGKBBJLEMPTKS-HNNXBMFYSA-N 324.450 1.346 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257335544 YKPVRUCJNSBLPS-CYBMUJFWSA-N 314.345 1.028 0 40 DDAB CN1CCN(S(=O)(=O)N2CCCC2)C[C@H]1c1ccccc1 257223652 DYIKANVLZGWJPP-HNNXBMFYSA-N 309.435 1.316 0 40 DDAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN2S(C)(=O)=O)n1 257227984 FRWGYNQOLKUSFC-GFCCVEGCSA-N 321.406 1.282 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)c1cc(C)c(OC)c(C)c1 262437304 PEMBMKYNWQRHCT-UHFFFAOYSA-N 315.391 1.797 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 96098081 VPPOAXIYHPQLKT-SYTKJHMZSA-N 313.806 1.999 0 40 DDAB COCC1(S(=O)(=O)Nc2cccc(F)c2C(=O)OC)CC1 585140814 JSZGAEDIYMGCKW-UHFFFAOYSA-N 317.338 1.533 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)/C=C/c1ccccc1 585276769 IOQZWXSXLVKXIW-KBOKABMXSA-N 302.374 1.583 0 40 DDAB Cc1nc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)co1 585275831 JZEOJRCPKFKHQD-QGZVFWFLSA-N 320.364 1.928 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 56940954 XBQUTWVGTDAHRD-GXFFZTMASA-N 307.781 1.844 0 40 DDAB CC1CCN([C@H](CNC(=O)c2cccc[n+]2[O-])C(C)C)CC1 52822801 AASRNSLISGNDFW-MRXNPFEDSA-N 305.422 1.806 0 40 DDAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)O)C2=O)cc1 57842277 NFSIVTXCCHAVQO-MRXNPFEDSA-N 304.346 1.836 0 40 DDAB Cc1ccc(N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)nn1 585234260 BRSXGFQTDPOUJY-KBPBESRZSA-N 304.394 1.297 0 40 DDAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCCC1 16363216 RWWHLIWUPJHHDG-UHFFFAOYSA-N 313.404 1.157 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5003780 CLFOLRNDKGIRRK-OAACRXHESA-N 315.325 1.935 0 40 DDAB Cn1ncc(Cl)c1C(=O)NC[C@@](C)(C(=O)O)c1ccccc1 573340298 QRJSWUDAMKGGNT-OAHLLOKOSA-N 321.764 1.846 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)c1 22584963 YIEUUQKUWPEFQC-HNNXBMFYSA-N 319.405 1.333 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 1888846738 BBYFROLDNMLIAH-GFCCVEGCSA-N 301.350 1.060 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2ncon2)C1 238831042 FXEKATPJLMIQMS-SNVBAGLBSA-N 311.338 1.695 0 40 DDAB O=C(NCc1ccc(Cl)cc1)N1CC(Cn2cncn2)C1 1565520462 UUDXFPGREAUNOB-UHFFFAOYSA-N 305.769 1.773 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCC4)O[C@H]3C2)C1 1565546870 FTGPAERHVRVKSU-NQBOGQKCSA-N 320.433 1.661 0 40 DDAB CN(C)Cc1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 2055719463 JZMCIHSURGJYKL-UHFFFAOYSA-N 312.364 1.722 0 40 DDAB Cn1cc(-c2nccnc2CNC(=O)c2cc(C3CC3)on2)cn1 575618639 DSUCTYRMNUUEQW-UHFFFAOYSA-N 324.344 1.673 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCCOc1ccc(F)cc1 585149792 NVEXDBJDTZCNCX-KBPBESRZSA-N 322.380 1.729 0 40 DDAB COCCn1/c(=N/C(C)=O)sc2cc(C(=O)OC)ccc21 100872410 GANOXWYTKCKVIK-PFONDFGASA-N 308.359 1.583 0 40 DDAB Cc1[nH]c2nc(NC(=O)c3ccccc3Cl)nn2c(=O)c1C 100650695 XRQUPRKGDDRUOG-UHFFFAOYSA-N 317.736 1.940 0 40 DDAB CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1 100770373 DGSBLIKVQDLRNS-SOUVJXGZSA-N 322.430 1.158 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 20533604 JDLCJYIZSXEOBR-UHFFFAOYSA-N 314.389 1.373 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)C1 20549665 MBJGYRUBHPTALX-UHFFFAOYSA-N 320.780 1.773 0 40 DDAB CCN(CC)C(=O)[C@@H]1C(=O)N[C@]2(C)C[C@H]1c1ccccc1O2 202179 IQBBFZAIYZOIHP-JDFRZJQESA-N 302.374 1.883 0 40 DDAB C[C@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc2c(c1)OCCCO2 32284816 QNWGJXMYQOUPQA-LBPRGKRZSA-N 314.341 1.972 0 40 DDAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(F)cc1 255447 AJZZRVQXCFSACQ-UHFFFAOYSA-N 302.305 1.959 0 40 DDAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NC[C@@H]1CCCO1 2620693 KNLJXDQCJDXWMQ-GPAKFWEMSA-N 307.321 1.677 0 40 DDAB CCN(CC)S(=O)(=O)NCc1ccc(Cn2cncn2)cc1 32895818 GIHUJXIWPCBMJP-UHFFFAOYSA-N 323.422 1.003 0 40 DDAB COc1cccc(N(CN2C(=O)CC[C@@H]2C(=O)O)C(C)=O)c1 1650034 ZMSCSTHTZZNNLP-CYBMUJFWSA-N 306.318 1.081 0 40 DDAB CCn1nc(C)c(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)c1C 78973540 MKRRZKSBDPBIFT-ZDUSSCGKSA-N 321.425 1.317 0 40 DDAB NS(=O)(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 79269567 ZDSBTOIZXGHAJH-ZDUSSCGKSA-N 305.359 1.160 0 40 DDAB CC(C)[C@H](C(=O)N[C@@H]1CCCS(=O)(=O)C1)N1CCCCC1 79310297 FUWSTCVZURLDFT-ZIAGYGMSSA-N 316.467 1.190 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCC1CCOCC1 79501972 DAAXMOSDUSVBPC-UHFFFAOYSA-N 321.425 1.557 0 40 DDAB COC(=O)c1nnn(-c2cccc(Cl)c2C)c1C(=O)OC 4316616 ORAWWIMBMQKOJH-UHFFFAOYSA-N 309.709 1.802 0 40 DDAB C[C@@H](c1ccccc1F)n1cc(C(=O)NC[C@@H]2CCCO2)nn1 4985859 OBKNVRLFDXYTGX-RYUDHWBXSA-N 318.352 1.935 0 40 DDAB COc1cc(CCC(=O)Nc2nc[nH]n2)cc(OC)c1OC 23142529 PPEQZBUULOXSHN-UHFFFAOYSA-N 306.322 1.402 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@H]2CCCC[C@H]2C1 54375476 CDLZGHBUUZCIRD-OLZOCXBDSA-N 319.405 1.343 0 40 DDAB CC(C)C[C@H](CNC(=O)Nc1nncs1)N1CCOCC1 43137036 JWLURYDOXYJKFW-LLVKDONJSA-N 313.427 1.407 0 40 DDAB CCCOc1ccc(S(=O)(=O)NCC(=O)OCC)cc1 37565074 APVOUDKAFROCGM-UHFFFAOYSA-N 301.364 1.317 0 40 DDAB Cn1nnnc1SC[C@@H](O)COCc1ccc(Cl)cc1 61715409 ZDISHWLWGDJGPC-NSHDSACASA-N 314.798 1.533 0 40 DDAB C[C@@H]1CN(C(=O)C2CCN(Cc3nccn3C)CC2)C[C@@H](C)O1 43272089 HUCLDQIRPMHPGI-ZIAGYGMSSA-N 320.437 1.268 0 40 DDAB Cc1n[nH]c(C(=O)N2CCO[C@H]3CCC[C@H]32)c1Br 56198357 VYSQCGABLAWMHY-BDAKNGLRSA-N 314.183 1.874 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@H]1CNCCO1 43709640 PYZSXSCFANZGMP-GFCCVEGCSA-N 313.195 1.396 0 40 DDAB CCOC(=O)[C@H]1ON(Cc2ccccc2)C[C@H]1C(=O)OCC 44154497 SIHUMCCKQLUUFN-KGLIPLIRSA-N 307.346 1.545 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 108061234 QRPNBXCQDLTLLP-XUXIUFHCSA-N 314.451 1.353 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)NCCc3cccnc3)cnc12 12545883 UKLJDEDSUKBYAX-UHFFFAOYSA-N 322.368 1.459 0 40 DDAB COc1cc2c(cc1O)CCN(C(=O)CN1CCOCC1)[C@H]2C 26771867 QEHHKGMHPPPFAW-LBPRGKRZSA-N 320.389 1.179 0 40 DDAB COC(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1 48008678 QBNBHUZRBRPDJW-UHFFFAOYSA-N 315.333 1.333 0 40 DDAB CCCn1c(SCC(=O)c2ccccc2OC)n[nH]c1=O 10031554 JADRESBXNSQUJS-UHFFFAOYSA-N 307.375 1.965 0 40 DDAB CC(C)CN(CC(N)=O)Cc1cc(=O)n2cc(Cl)ccc2n1 44898790 UYVNKVNRFSOSSL-UHFFFAOYSA-N 322.796 1.291 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccsc1)N(C)C 44954826 MITLPANIIXEMSU-JSGCOSHPSA-N 321.450 1.935 0 40 DDAB C[C@@H](NC(=O)Cn1nc(O)ccc1=O)c1ccc(Cl)s1 44916427 PIHFFLLJHITFSY-SSDOTTSWSA-N 313.766 1.541 0 40 DDAB O=C(NCCn1ccnc1)N(Cc1ccc(O)cc1)C1CC1 48254001 BQKHRAOIQQMCII-UHFFFAOYSA-N 300.362 1.963 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](c1ccsc1)N(C)C 44954832 MITLPANIIXEMSU-GXTWGEPZSA-N 321.450 1.935 0 40 DDAB CN1CCN([C@H](CNC(=O)N2CCCC2)c2cccs2)CC1 48236279 UHMFTSXCKKAFKE-CQSZACIVSA-N 322.478 1.842 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC1CCSCC1 58420627 HTLQIHBFIQAWEU-BETUJISGSA-N 324.446 1.564 0 40 DDAB CCn1cc(Cl)c(C(=O)N[C@H](C)CN2CCOCC2)n1 22238453 WGWHQIBLOFTACY-SNVBAGLBSA-N 300.790 1.007 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1 20572565 FHGMAWIPYGRSDU-UHFFFAOYSA-N 300.362 1.429 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H](N2CCCC2)C1)C1CCCC1 58919584 JEYZSFWWHVNUFZ-IRXDYDNUSA-N 321.465 1.768 0 40 DDAB COc1cc(CN[C@@H]2CCCCNC2=O)cc2c1OCCO2 45613390 BHIBYRGUKOQMJA-GFCCVEGCSA-N 306.362 1.225 0 40 DDAB O=C(NCCC(=O)N1CCn2c1nc1ccccc12)c1ccco1 29374557 ACHUPLDWYYHINE-UHFFFAOYSA-N 324.340 1.796 0 40 DDAB CNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1C 48343778 IJEXWIDACCRIAQ-UHFFFAOYSA-N 312.782 1.774 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cn2ccnc2)cn1 48301173 SPUWTJCXGSZWES-CYBMUJFWSA-N 317.393 1.953 0 40 DDAB Cc1noc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)n1 48324377 XNYGRSCYPUPTIJ-SNVBAGLBSA-N 323.374 1.170 0 40 DDAB CC[C@@H](C)c1ccccc1OCC(=O)NC[C@H]1CCC(=O)N1 69875437 NMKHHQHFLJVKNU-CHWSQXEVSA-N 304.390 1.974 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(CC(N)=O)CC1 49396312 WOADFCGGJUIBFY-LLVKDONJSA-N 308.353 1.707 0 40 DDAB Cn1c(=O)n(Cc2cccc(OCC(N)=O)c2)c2ccccc21 63887114 IDVWIKBRTPVFMY-UHFFFAOYSA-N 311.341 1.252 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@@H]2CCN(C(C)C)C2)c(=O)[nH]1 65473115 JXAJLGUYQJFGFH-AWEZNQCLSA-N 320.437 1.521 0 40 DDAB CC1CCN(CCNC(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 65496154 ZCGKHOCWRYXNNA-JKSUJKDBSA-N 312.454 1.809 0 40 DDAB C[C@@H](CNC(=O)NCc1ccccc1F)CN1CCCC1=O 65522725 RPABWANTATTYJF-LBPRGKRZSA-N 307.369 1.883 0 40 DDAB Cc1cc(NC(=O)CCn2nc(-c3ccccc3)oc2=O)no1 65537773 FSQCPDABGLNERW-UHFFFAOYSA-N 314.301 1.829 0 40 DDAB O=C1C[C@H](C(=O)N[C@H]2CCc3nccn3C2)c2ccccc2N1 65516208 ADQCEBBBXAIJPB-AAEUAGOBSA-N 310.357 1.440 0 40 DDAB CC(C)c1noc(CN2CCCC[C@@H]2CNS(C)(=O)=O)n1 65586574 OVGDJXPWJPFNEC-LLVKDONJSA-N 316.427 1.097 0 40 DDAB O=C(c1cc[nH]n1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 6413873 LMGLSQFBXOVRAO-UHFFFAOYSA-N 314.433 1.992 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269094 WMIJPUOGBLFERP-HZPDHXFCSA-N 306.381 1.426 0 40 DDAB Cc1noc(CNC(=O)NCCOc2ccc(Cl)cc2)n1 66176043 FTCWLFBKERGMJP-UHFFFAOYSA-N 310.741 1.910 0 40 DDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2ccoc2)nn1 66538695 HDRHRQUVMURTCW-CHWSQXEVSA-N 319.317 1.998 0 40 DDAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(C(N)=O)cc1 5780118 LOKZUFPNIHLZPF-SNVBAGLBSA-N 317.370 1.538 0 40 DDAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCC1CC1 4968221 QGYMARSHDVZZPF-UHFFFAOYSA-N 301.321 1.576 0 40 DDAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccon3)CC2)cc1 67708916 FVFFTEURVMDTCX-UHFFFAOYSA-N 313.357 1.835 0 40 DDAB Cc1cc(Cl)c(C(=O)NCCN2CCN(C)CC2)cc1C 96004407 UNRWGZWKAVLCSN-UHFFFAOYSA-N 309.841 1.934 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCN(CC(F)F)CC3)nn2)n1 96413692 SPBWONVSKWKXNN-UHFFFAOYSA-N 322.363 1.666 0 40 DDAB O=c1c2ccsc2ncn1Cc1cc(=O)n2ccsc2n1 8341766 NJOITOAVVPJTDZ-UHFFFAOYSA-N 316.367 1.576 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)c1 69455527 MXIDIMQSKUSDIH-ZDUSSCGKSA-N 323.828 1.788 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)c1 69442397 LJAIAGPRLGZZOP-CQSZACIVSA-N 324.388 1.800 0 40 DDAB CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1Cn1nc(C)cc1C 71865452 PSHRNTXYZSECCX-DZGCQCFKSA-N 306.410 1.406 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C[C@H]2OCCc3ccsc32)CC1 71871517 YVSUYGLSSDLFFK-TZMCWYRMSA-N 324.446 1.277 0 40 DDAB Cc1cnc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C2CC2)s1 72296835 BSEAIZNRWQEMQZ-LBPRGKRZSA-N 306.391 1.627 0 40 DDAB NC(=O)c1ccc(N2CCN(CCc3ccncc3)CC2)cc1 72287555 LHXBESDWKGYNFP-UHFFFAOYSA-N 310.401 1.545 0 40 DDAB O=C(Cc1csc(NC(=O)C2CC2)n1)NC[C@@H]1CCCO1 9815928 YXNZAFYMPPDOEI-NSHDSACASA-N 309.391 1.329 0 40 DDAB CNC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1F 97102624 XSQGRZZWDUJLPP-YPMHNXCESA-N 307.369 1.659 0 40 DDAB CCC(CC)(CNC(=O)c1ccc(F)nc1)S(C)(=O)=O 72539260 BEGZKBAIIQLINL-UHFFFAOYSA-N 302.371 1.554 0 40 DDAB CC(C)(C)c1ccc(NC(=O)NCc2nnc3n2CCC3)nn1 95418819 KLDDRLAGPMFBAJ-UHFFFAOYSA-N 315.381 1.634 0 40 DDAB O=S1(=O)CCC[C@H](Nc2ncnc3cc(F)c(F)cc23)C1 95403253 QTRFRBSQRWCYAL-QMMMGPOBSA-N 313.329 1.897 0 40 DDAB O=C(NCc1ccnc(O[C@@H]2CCOC2)c1)NC1CC=CC1 95980099 NXLNZUUOKMDTRZ-CQSZACIVSA-N 303.362 1.767 0 40 DDAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(C(=O)c2ccoc2)CC1 85572398 ACKWFHOPXDXBOF-LBPRGKRZSA-N 307.394 1.341 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCCCC(N)=O)cc1 89357164 PZFZEPQIXYERTP-RISCZKNCSA-N 317.389 1.667 0 40 DDAB CS(=O)(=O)CCNC(=O)N1CCc2c(Cl)cccc21 89484318 WDLOPZWKPWPNLH-UHFFFAOYSA-N 302.783 1.457 0 40 DDAB Cc1nc(Cl)ccc1CC(=O)Nc1ccn(CCN(C)C)n1 89536910 TYYZTDFTXZPTIQ-UHFFFAOYSA-N 321.812 1.983 0 40 DDAB NC(=O)c1cncc(N2CCC[C@@H](COc3ccccc3)C2)n1 89845763 VTXMKYDRIPLHAL-CYBMUJFWSA-N 312.373 1.871 0 40 DDAB COC(=O)c1cc(CNc2cc(C(N)=O)ccn2)ccc1OC 75582044 DCVYKUVSFLWDAO-UHFFFAOYSA-N 315.329 1.588 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)C1 20567599 GYBWAGZRTBWGHV-UHFFFAOYSA-N 300.362 1.180 0 40 DDAB CS(=O)(=O)CCOCCNc1nc2ccccc2s1 78362037 ZTPKSGGAAYRFLB-UHFFFAOYSA-N 300.405 1.769 0 40 DDAB Cc1ccc(-c2nc(CNC(=O)c3nccnc3N)co2)cc1 73301118 CIBLDMLAOIBHFY-UHFFFAOYSA-N 309.329 1.952 0 40 DDAB Cc1cccc(Nc2nccnc2[C@H]2CCCN2CC(N)=O)n1 72384654 FUMOOKPHYXOJJA-GFCCVEGCSA-N 312.377 1.546 0 40 DDAB CCCOC(=O)c1cc(N)ccc1Sc1nnc(C)n1N 70462466 LDHKOCDTZXUUGO-UHFFFAOYSA-N 307.379 1.601 0 40 DDAB COc1cccc(-c2noc([C@@H]3CCN(CC(N)=O)C3)n2)c1 72369863 UHGAULBPYFEOBH-LLVKDONJSA-N 302.334 1.020 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 79410001 PSECXGMJJKCXLM-STQMWFEESA-N 313.442 1.876 0 40 DDAB Cc1nnsc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 38679360 SIUCWWPPXASGCD-UHFFFAOYSA-N 321.406 1.409 0 40 DDAB c1cnc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nc1 332994073 BTXNXQRSHDFYER-UHFFFAOYSA-N 322.416 1.959 0 40 DDAB Cc1nnc(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)s1 329712814 QOISRIIVBWOHMH-MRXNPFEDSA-N 313.382 1.990 0 40 DDAB COC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1 225800096 UZMGWNFVNZNLQA-UHFFFAOYSA-N 307.419 1.854 0 40 DDAB CCOC(=O)[C@]1(C)CC(c2cnc(N3CCCCC3)nc2)=NO1 226084627 PBBPXWPJZRXGEE-INIZCTEOSA-N 318.377 1.913 0 40 DDAB Cc1occc1SCC(=O)N1CCN(c2cnccn2)CC1 131301722 YJEONGHHBKBNFP-UHFFFAOYSA-N 318.402 1.819 0 40 DDAB CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCCNC2=O)c1C1CC1 89800570 VXYJRZYDEZTIGX-GXFFZTMASA-N 304.394 1.740 0 40 DDAB CCS(=O)(=O)c1ccccc1NCc1ccc(C(N)=O)o1 225520569 BKJJWMSCAWNEFX-UHFFFAOYSA-N 308.359 1.784 0 40 DDAB Cc1cc(C)cc(CS(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)c1 573852142 DKZIWWCZTVFMLZ-ZIAGYGMSSA-N 309.387 1.752 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N1CC(n2ccnn2)C1 225693379 UXZSFYAGTQOBNJ-UHFFFAOYSA-N 314.374 1.531 0 40 DDAB C[C@H](C(=O)NCc1cccs1)N1CCC(O)(C(=N)O)CC1 330487464 HFQWLNQRTBOURZ-SNVBAGLBSA-N 311.407 1.115 0 40 DDAB Cc1ncsc1C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802421 RBLQPVYVSZCUFP-UHFFFAOYSA-N 317.330 1.120 0 40 DDAB CCCOC(=O)[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1 226080947 GOJUGUBXWDXJCP-AWEZNQCLSA-N 318.377 1.913 0 40 DDAB O=C1N[C@@H](c2ccccc2)C12CCN(c1nncs1)CC2 96080425 PYAXNDXTVMFLCC-LBPRGKRZSA-N 300.387 1.996 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(-n2cccn2)n1 96449505 QLALEPJAFGHQCM-DOTOQJQBSA-N 320.352 1.655 0 40 DDAB CN(C)CC1(CNC(=O)N[C@@H]2CC[C@H](N(C)C)C2)CCCC1 96502966 DNUKBEMFYGJNAG-CABCVRRESA-N 310.486 1.890 0 40 DDAB O=C([C@H]1C[C@@H]2CN(Cc3ccccn3)C[C@H]1O2)N1CCCC1 96253167 IZFQTYKRURHVRM-OWCLPIDISA-N 301.390 1.293 0 40 DDAB Cc1nc(CN2C[C@H]3CN(Cc4nccn4C)C[C@H]3C2)cs1 96161521 VFIODDYZTYNYTI-OKILXGFUSA-N 317.462 1.749 0 40 DDAB Cc1noc(C)c1Cn1nnc2c(cnn2-c2ccccc2)c1=O 96460997 OGSFWZOZQWTWNY-UHFFFAOYSA-N 322.328 1.630 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(F)cc1C(F)(F)F 93441611 WOBXVWITMFCQHX-JQWIXIFHSA-N 321.270 1.953 0 40 DDAB C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)C(=O)N(C)C 96417651 SVAPNKXYDKMCBX-LLVKDONJSA-N 307.369 1.633 0 40 DDAB Cc1cc(Cl)ccc1C(=O)NC[C@H](O)CN1CCOCC1 97229940 MDIRAVJYEIVRDQ-ZDUSSCGKSA-N 312.797 1.071 0 40 DDAB Cc1cc(-c2nn3c(-c4snnc4C)nnc3s2)no1 95479060 WKDDXQWKCYPGTK-UHFFFAOYSA-N 305.348 1.976 0 40 DDAB O=C(Cc1ccsc1)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 96185038 KLXBIUJUPXDKNM-ZNMIVQPWSA-N 307.415 1.943 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)NCCCN1CCOCC1 42985496 GKXHMCSHWCKBNH-UHFFFAOYSA-N 316.398 1.135 0 40 DDAB CN(C)c1cccc(CC[C@H]2CCCCN2S(C)(=O)=O)n1 257284975 PFCRAWCTKZCQLT-CQSZACIVSA-N 311.451 1.894 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)Cn2cccn2)nc(C)n1 257210436 BUOSSUTWBMAEBY-ZDUSSCGKSA-N 300.366 1.387 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1ccnc(O)n1 257317283 VJCQWZNNSVNERT-CYBMUJFWSA-N 318.377 1.248 0 40 DDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1ccncn1 257266872 MEXQFIYCHOBTBL-CQSZACIVSA-N 312.377 1.553 0 40 DDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21 575403481 FSACSDMDTRZDAO-TXCZRRACSA-N 316.401 1.025 0 40 DDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCCC2)C1 575402977 FDDXTVACFWZXSJ-CQSZACIVSA-N 304.394 1.481 0 40 DDAB CC(=O)N1CCCC[C@H]2N(CC3(O)CCOCC3)CCC[C@@]21C 585284414 RQKXRBXSRBINBY-SJORKVTESA-N 324.465 1.783 0 40 DDAB Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN(C)C)n(C)n1 585097472 MBNLZPFFONGQNI-CQSZACIVSA-N 302.426 1.261 0 40 DDAB COc1ccc(NC(=O)NC[C@@H](O)c2ccccc2OC)cn1 48019232 XLPQIZKGBKSABI-CYBMUJFWSA-N 317.345 1.954 0 40 DDAB CC(C)(C)c1csc(CNC(=O)NCC(=O)N2CCCC2)n1 69584215 FJONEHDRVKYYEH-UHFFFAOYSA-N 324.450 1.862 0 40 DDAB COc1ncccc1NC(=O)c1ccccc1Cn1cncn1 74245339 WRFSURJNQODCTG-UHFFFAOYSA-N 309.329 1.982 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1NCCOc2ccccc21 1578500506 PZKVFVAFEBTCKS-HNNXBMFYSA-N 300.362 1.102 0 40 DDAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc(Cl)cc1Cl 85468782 RNOUDXVITKRMRV-VFWDIBGWSA-N 304.173 1.855 0 40 DDAB Cc1ccoc1C(=O)NS(=O)(=O)c1cncc(Cl)c1 89701966 BKZDNCNZNJZDRG-UHFFFAOYSA-N 300.723 1.755 0 40 DDAB CC(C)Cn1ncnc1CN1CCN(CC2CCCC2)C(=O)C1 97233699 GYNHHCKIOKMYKG-UHFFFAOYSA-N 319.453 1.769 0 40 DDAB CC(C)(C)C[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O 97992786 APNWXOCRZSKVRJ-LBPRGKRZSA-N 302.440 1.449 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccn2)cc1 13494585 DLKABIPIPQTNIT-UHFFFAOYSA-N 319.386 1.098 0 40 DDAB O=C(c1ccncc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19404839 OBIWSADTRFPOEK-CQSZACIVSA-N 323.400 1.537 0 40 DDAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C)CC1 19502117 SWUZLGZVGLXECM-LSDHHAIUSA-N 322.457 1.331 0 40 DDAB CC(C)c1nnc(NC(=O)[C@H](C)Sc2nncn2C)s1 4174473 RNHCUNDPAPCOCA-ZETCQYMHSA-N 312.424 1.909 0 40 DDAB CCC(=O)Nc1ccc(SCC(=O)NC[C@H]2CCCO2)nn1 11739048 WKDOGANDEMTRDA-SNVBAGLBSA-N 324.406 1.212 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(c4ncncc4F)C[C@@H]3C2)n1 1888842569 MTWHODWZQLKVOW-VXGBXAGGSA-N 300.341 1.287 0 40 DDAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1C[C@H]1CCCOC1 1888869405 INJRBVRCQJZTMF-GFCCVEGCSA-N 304.321 1.565 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(c3ccn4nccc4n3)C2)nc1 1888882187 WVRWXMDEISXXAZ-CQSZACIVSA-N 323.404 1.933 0 40 DDAB CN(C)Cc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775964251 YZONKPHUNNKLDY-LBPRGKRZSA-N 301.350 1.390 0 40 DDAB biogenic,in-vitro COC[C@]12CCCO[C@H]1CCN(C(=O)c1ncnc(C)c1C)C2 1147065169 KIZDVIVBEQKRFI-WMLDXEAASA-N 319.405 1.751 0 40 DDAB Cc1nnc(CN2CCN(Cc3ccncc3F)[C@@H](C)C2)o1 2086903793 RLARPHYWTKVFSJ-NSHDSACASA-N 305.357 1.618 0 40 DDAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccno3)o2)c1 12234383 WKOAJDIHNVKGTJ-UHFFFAOYSA-N 316.273 1.994 0 40 DDAB CCCNC(=O)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127420 MCEMLXLNLHNLHC-UHFFFAOYSA-N 317.433 1.541 0 40 DDAB O=C(c1cccnc1)N1CCC(N2C(=O)CSC2=O)CC1 206978745 MNRQEJMCWHEREM-UHFFFAOYSA-N 305.359 1.382 0 40 DDAB COC(=O)[C@](O)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 2334094 NIXOBRGYJQLGHH-SNVBAGLBSA-N 311.643 1.494 0 40 DDAB COCCNC(=O)NC1CCN(c2ccccc2OC)CC1 50110179 WIABGAANPAZYKF-UHFFFAOYSA-N 307.394 1.610 0 40 DDAB Cc1ccc(OCCNC(=O)c2ccc(-n3cnnn3)cc2)cc1 31239505 AWGZBOAKPDFZHC-UHFFFAOYSA-N 323.356 1.780 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CCCC3)c(=O)[nH]1 31277550 RSSATRFZSYPPOF-UHFFFAOYSA-N 318.402 1.903 0 40 DDAB NC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 32402052 ZICFAPALMDNNQZ-UHFFFAOYSA-N 320.773 1.365 0 40 DDAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]21 101764854 XMLLJWLJLCSFBK-DMTCVQMQSA-N 314.341 1.902 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ncnc3ccccc23)C1 29625551 KFYIRKDLAHNCIZ-NSHDSACASA-N 306.391 1.148 0 40 DDAB Cc1ccnc2nc(C(=O)N3CCC[C@H]3c3cnn(C)c3)nn12 71796838 KQVISQCCXNBAJO-LBPRGKRZSA-N 311.349 1.144 0 40 DDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 69619259 ZGRMAIAVINNYCY-ZDUSSCGKSA-N 324.812 1.222 0 40 DDAB CCN1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 41193790 VACDNMXKLBMMED-UHFFFAOYSA-N 314.389 1.833 0 40 DDAB CCc1nnsc1C(=O)N1CCN(c2nccs2)CC1 29986882 VNOXYDRWXPNPHS-UHFFFAOYSA-N 309.420 1.519 0 40 DDAB Cc1nn(C)c(C(=O)NC2CCN(C)CC2)c1Br 2780975 MZAWJPXGLGMUEB-UHFFFAOYSA-N 315.215 1.315 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)COCC3CC3)CCO2)n1 76046138 NQKVQGZFHYEMCH-LBPRGKRZSA-N 308.382 1.084 0 40 DDAB O=C(COC[C@@H]1CCCO1)Nc1ccc(Br)cn1 78680444 KCMKAEILTFTNEL-JTQLQIEISA-N 315.167 1.978 0 40 DDAB Cc1noc(Cl)c1CCC(=O)OC[C@@H]1CCCN1C(N)=O 78803621 NLGZZVQNKWBOPI-VIFPVBQESA-N 315.757 1.655 0 40 DDAB NC(=O)COc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1 102878252 RIKDGIPDQYMEFZ-OAHLLOKOSA-N 302.374 1.955 0 40 DDAB Cc1ccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1C 6205627 SNSZXTKHPVSJQW-CYBMUJFWSA-N 312.435 1.983 0 40 DDAB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)nc1 6966981 FOJUUUKUZIGJGM-AUWJEWJLSA-N 323.356 1.899 0 40 DDAB CCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O 529399 VZZJCGSEBCLFRP-UHFFFAOYSA-N 322.394 1.419 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N=C(O)CO2 53274869 ZHGBYNMFDXFEKH-LBPRGKRZSA-N 303.362 1.881 0 40 DDAB COCCN1CCN(Cc2nccn2Cc2ccccc2)CC1 69776426 DEZSTYFLNJVREO-UHFFFAOYSA-N 314.433 1.695 0 40 DDAB Cn1cc(N2CC[C@H](N3CCc4ccc(F)cc43)C2=O)cn1 104329274 GWGBONXSRHRLQH-AWEZNQCLSA-N 300.337 1.727 0 40 DDAB O=C(NCCc1ccccn1)c1ccc(N2CCNC2=O)cc1 54318997 VKFAVVQSRODMBU-UHFFFAOYSA-N 310.357 1.584 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O 9483978 RKKZDESZTPGZSN-ARFHVFGLSA-N 315.417 1.977 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(Cc2nccn2C)CC1 54847256 XPHGZFIPACQNDD-UHFFFAOYSA-N 321.469 1.090 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1ccc(C(=O)OC)cc1 24485009 HDKPYHFJYAKQDW-UHFFFAOYSA-N 314.407 1.192 0 40 DDAB CC(C)C[C@@H](CNC(=O)CN1CCC[C@@H]1C)N1CCOCC1 106872115 QWZONTGHZDPMMN-HOTGVXAUSA-N 311.470 1.334 0 40 DDAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1cnn(C)c1 47992429 YEFSQXGNOMXTCU-UHFFFAOYSA-N 307.375 1.570 0 40 DDAB Cc1cccc(OCCNC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1 25412891 WGIAQNKAXIMXRP-OWCLPIDISA-N 320.433 1.988 0 40 DDAB O=C(CCSc1nnnn1C1CC1)NC(=O)NC1CCCC1 25583501 GYGUIMVAJANDIM-UHFFFAOYSA-N 324.410 1.259 0 40 DDAB O=C(NCCc1ccccc1)[C@@H]1CSCN1C(=O)C1CC1 35197756 DPTNAMHTZSQYLO-AWEZNQCLSA-N 304.415 1.657 0 40 DDAB CS[C@H](CO)[C@H](C)NC(=O)c1ccc(Br)cn1 97019270 QGIPEYTUBXNTGG-OIBJUYFYSA-N 319.224 1.686 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)NC2CC2)c1 50386073 PXXHIKYLNWMSBZ-NHYWBVRUSA-N 302.374 1.616 0 40 DDAB Cc1c(C(=O)NCC(=O)N(C)C)oc2c1C(=O)CC(C)(C)C2 48254055 IXQCBCHIDDYIJT-UHFFFAOYSA-N 306.362 1.561 0 40 DDAB c1ccc(-n2ncc(CN3CCN(c4ncccn4)CC3)n2)cc1 44873476 BAZMYWGDPXCZFO-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB COc1ccc(/C=C/C(=O)NC2CCN(C(C)=O)CC2)cc1F 44870911 OJQFDDISEVDCAV-GQCTYLIASA-N 320.364 1.975 0 40 DDAB C[C@@H]1CN(CCCCNc2nccn3cnnc23)C[C@@H](C)O1 97019089 VGVJOEFYEXPOFN-CHWSQXEVSA-N 304.398 1.426 0 40 DDAB CCN(CC)S(=O)(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 58290710 WJLAJKUCQMFYSV-STQMWFEESA-N 321.487 1.050 0 40 DDAB Cc1nnc(NC(=O)N[C@H]2CCCc3c2cnn3CCO)s1 44971996 KBICVQINTWIUDS-JTQLQIEISA-N 322.394 1.234 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CNCCNc1ncccn1 58402147 BJZSXGYNUPTRTE-UHFFFAOYSA-N 317.441 1.601 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 45205014 SEMLZEXJQIISIF-VXGBXAGGSA-N 309.410 1.792 0 40 DDAB CCc1nn(C)c2[nH]nc(NC(=O)[C@@H]3Cc4ccccc4O3)c12 72286144 PXTVFCDXFYKNGP-LBPRGKRZSA-N 311.345 1.801 0 40 DDAB O=C(Nn1cnnc1S)c1ccc(OC(F)(F)F)cc1 28814513 KBZTXTCQHGETMC-UHFFFAOYSA-N 304.253 1.849 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)NCCc1ccsc1 48354615 NSGIVAWNRSIAIW-UHFFFAOYSA-N 305.407 1.670 0 40 DDAB Cc1cn2nc(N3CCC[C@H](Cn4cncn4)C3)sc2n1 69843147 NHHZBAHCERTSPH-NSHDSACASA-N 303.395 1.607 0 40 DDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cc1 3461144 DBZCQVYOOABXNK-KRWDZBQOSA-N 317.389 1.677 0 40 DDAB CN1CCCC[C@H]1CN1CCN(C(=O)Cc2cccs2)CC1 69875463 YCFBNEPNLDYCKH-HNNXBMFYSA-N 321.490 1.919 0 40 DDAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1CC1 62908051 SATAQBDWHOEMME-UHFFFAOYSA-N 304.346 1.516 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)N1CCCCC1=O)C2 72232415 SMRCZOVITROSBO-OLZOCXBDSA-N 304.394 1.024 0 40 DDAB COc1ccc(OC)c(NC(=O)NCCN2CCOCC2)c1 38638166 ROXABJXQCATYKX-UHFFFAOYSA-N 309.366 1.158 0 40 DDAB CCOC(=O)/C=C(/C)NCCCCN/C(C)=C\C(=O)OCC 13283262 OATZHEPMJWKPQK-XSYHWHKQSA-N 312.410 1.880 0 40 DDAB COC(=O)N1CCC[C@H]1C(=O)NCCOc1cccc(OC)c1 65592308 BFWMAVNKYZTKIO-AWEZNQCLSA-N 322.361 1.421 0 40 DDAB CCc1cc2c(Nc3cnn(CC(=O)NC)c3)ncnc2s1 65585580 PTVXQEZLRVCWHN-UHFFFAOYSA-N 316.390 1.940 0 40 DDAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CCOCC1 65624585 PAQHCDXFDHZKIK-UHFFFAOYSA-N 300.362 1.457 0 40 DDAB COC(=O)c1cc(NC(=O)c2cccn2C)cc(C(=O)OC)c1 66280812 NTEJAAZWJCGGRE-UHFFFAOYSA-N 316.313 1.851 0 40 DDAB COC(=O)Cc1cc(=O)[nH]c(NC(=N)Nc2ccc(F)cc2)n1 6785893 SXPIKUSMSUPFFS-UHFFFAOYSA-N 319.296 1.083 0 40 DDAB Nc1nc(N)nc(COC(=O)c2ccc(Br)cc2)n1 6940476 SWJGGRHFCMRMDR-UHFFFAOYSA-N 324.138 1.156 0 40 DDAB Cc1cc(C(=O)Nn2cnc3ccc(Cl)cc3c2=O)on1 8327152 DFZUXAZIIPJDRD-UHFFFAOYSA-N 304.693 1.730 0 40 DDAB CC(C)c1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n[nH]1 69576095 HPDTXHYAUFXHEL-ZDUSSCGKSA-N 308.426 1.716 0 40 DDAB COc1ccc(C)cc1C[S@@](=O)Cc1nnnn1C1CC1 69527823 OUVSFWWLIVYPOG-NRFANRHFSA-N 306.391 1.774 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3ccco3)CC2)n1 69518261 ZEUAKOIIBPZHML-UHFFFAOYSA-N 302.334 1.431 0 40 DDAB Cc1occc1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71826729 WKMGLESMBOYLCS-GFCCVEGCSA-N 304.321 1.801 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCCC[C@@H]1C(=O)O 71831250 PTWZFQKDRQNNHG-GFCCVEGCSA-N 307.346 1.930 0 40 DDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCNC(=O)CC1 71839521 XYZDXVBOVKPCBD-GFCCVEGCSA-N 302.374 1.291 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 71869771 XXNZRJPEHRRKTK-DZGCQCFKSA-N 316.405 1.193 0 40 DDAB COc1ccc(CC(=O)N2CCCn3ncnc32)c(OC)c1 71826682 UATKTJUWSQEYLP-UHFFFAOYSA-N 302.334 1.275 0 40 DDAB CN(CC(C)(C)O)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 71876931 ZEKXSQWTYKYYJZ-CYBMUJFWSA-N 308.426 1.614 0 40 DDAB CCOc1nnc(CN2CCO[C@H](c3nc(CC)n[nH]3)C2)s1 83830197 VLEYSXSDKFGQAQ-VIFPVBQESA-N 324.410 1.191 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ccc(Cl)cn3)CCO2)n1 83830003 YITDTPLRRYDYLM-LLVKDONJSA-N 321.768 1.629 0 40 DDAB C[C@H](NCC(=O)N1CCNC(=O)C1)C12CC3CC(CC(C3)C1)C2 95410029 QMSJPFPZOXJGIO-IHWZXDPASA-N 319.449 1.139 0 40 DDAB C/C=C/C[S@@](=O)CC(=O)NCCc1c(F)cccc1F 95417657 OIXLZNNTVFOEFH-NUALSEBGSA-N 301.358 1.948 0 40 DDAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1n[nH]c2c1CCC2 88362796 BNSVGCONNQEKMD-NWDGAFQWSA-N 305.378 1.750 0 40 DDAB COc1cc(C(=O)N[C@](C)(C(=O)O)C2CC2)cc2c1OCCO2 95989617 FVKVHDYZTDTLDQ-INIZCTEOSA-N 321.329 1.450 0 40 DDAB O=C(N1CC(n2ccnn2)C1)C1(c2cccc(F)c2)CCC1 95997914 SHBBMILAFPJPGJ-UHFFFAOYSA-N 300.337 1.922 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc2nn[nH]c2c1 89512252 SOSADGWVFVAIDR-UHFFFAOYSA-N 300.322 1.326 0 40 DDAB COc1cnc(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)nc1 1548430881 WIHKVCUWBLNDDM-CABCVRRESA-N 313.357 1.823 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)Cc1ccccc1 26851648 SSKBPHGUQHLVSB-AWEZNQCLSA-N 305.403 1.917 0 40 DDAB Cc1cc(C)n(CCCNS(=O)(=O)c2c(C)noc2C)n1 28233059 IFRKKTBVWBIGRK-UHFFFAOYSA-N 312.395 1.473 0 40 DDAB Cc1[nH]nc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1C 1548814473 BSXHJUNFJLJTOL-UHFFFAOYSA-N 313.361 1.700 0 40 DDAB COCCCN1CN(n2cnnc2)c2nc3ccccc3n2C1 20637291 JJDYJEIIKPKRSX-UHFFFAOYSA-N 313.365 1.165 0 40 DDAB CN(C)c1nccc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 352364362 CCKCDUQGSLEPFJ-UHFFFAOYSA-N 324.392 1.141 0 40 DDAB C[C@H](CNC(=O)c1nc2ncccn2n1)Cn1cc(Cl)cn1 36618764 NMOSUTVWUAOSEA-SECBINFHSA-N 319.756 1.040 0 40 DDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1 71979961 KJNLPHCYUMONEZ-CYBMUJFWSA-N 304.346 1.034 0 40 DDAB C[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(O)nn2)C1 528793025 WPKDFMLBEHLDHL-JSGCOSHPSA-N 304.394 1.578 0 40 DDAB Cc1cc(C)c2ncn(CCC3(O)CCN(C)CC3)c(=O)c2c1 32550941 MOZYZKZBFVEPLD-UHFFFAOYSA-N 315.417 1.860 0 40 DDAB Cn1c(CC(=O)N[C@H]2CCn3ccnc32)nnc1-c1ccccc1 1544082224 OOUUFNFCLZAUMJ-ZDUSSCGKSA-N 322.372 1.482 0 40 DDAB CCOc1cc(Cl)ccc1C(=O)NC[C@H]1CN2CCN1CC2 182590788 BFWKCJGJTTXDNO-ZDUSSCGKSA-N 323.824 1.468 0 40 DDAB Nc1ncccc1-c1ccc(CN2CCS(=O)(=O)CC2)cc1 521398332 PAPWVFCBLFDZSP-UHFFFAOYSA-N 317.414 1.561 0 40 DDAB COc1ccc(-c2cnc(Cn3cnnc3[S@@](C)=O)o2)cc1 78995804 XDLXKDBQDDXVLJ-QFIPXVFZSA-N 318.358 1.727 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)O)cn2)cc1 49468379 LDEQJQDQMDGXKN-UHFFFAOYSA-N 321.358 1.304 0 40 DDAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C(=O)NC1CCC1)C2 225495407 HLDXAAYLHSYSII-HNNXBMFYSA-N 318.421 1.655 0 40 DDAB biogenic,in-vitro CC(C)Oc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H](C)O2)cc1 527543092 VGZJSFCKRJYRLI-YOEHRIQHSA-N 320.433 1.852 0 40 DDAB COc1ccc([C@@H]2[C@H](CNC(=O)C(C)(C)O)CCCN2C)cc1 225432878 SPPYYRYQOZAFND-GOEBONIOSA-N 320.433 1.965 0 40 DDAB CC(C)c1nnc(Cn2nc(-c3cnn(C)c3)ccc2=O)s1 530109944 UCTWLPREHFVEBT-UHFFFAOYSA-N 316.390 1.667 0 40 DDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)c4occc4C)C[C@H]23)n1 96215636 TUYVSDDMHFRVAY-JHJVBQTASA-N 317.345 1.609 0 40 DDAB CC(C)(CNC(=O)c1cnoc1-c1ccccc1)S(C)(=O)=O 96487400 MMXYSRZMBFSKRI-UHFFFAOYSA-N 322.386 1.895 0 40 DDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCCN(CC3CC3)C2)C1 96048607 YIJKNUCLAVQBFF-DOTOQJQBSA-N 302.422 1.946 0 40 DDAB COCCC(=O)N1CCC[C@@]2(CCC(=O)N2CCOC)CC1 96217832 CFFXWGQEMGQWQH-MRXNPFEDSA-N 312.410 1.043 0 40 DDAB CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2cncn2C1 96206577 XHGRCILBMUKAFF-AWEZNQCLSA-N 314.389 1.516 0 40 DDAB O=C(c1ccncc1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058666 MTYUAHBPRBVECU-AWEZNQCLSA-N 324.384 1.617 0 40 DDAB CC(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 96422089 PMXJMAWHZYSQST-VIFPVBQESA-N 318.295 1.566 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C3CC3)on1)CC[C@H]2OC 96108540 FOEWXEVDJMAWBB-NWANDNLSSA-N 319.405 1.733 0 40 DDAB O=C1CO[C@@H]2CN(Cc3ccccn3)C[C@H]2N1Cc1ccncc1 96054268 HIIRZVDGCLWVLD-IAGOWNOFSA-N 324.384 1.088 0 40 DDAB CCCN1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 96254294 INOBFUFOKZRXRG-UHFFFAOYSA-N 319.453 1.902 0 40 DDAB O=C([C@H]1CCCN(CCOC[C@@H]2CCCO2)C1)N1CCCC1 96421782 AUTWKVBBEHNFJW-HOTGVXAUSA-N 310.438 1.516 0 40 DDAB COc1c(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)c(C)nn1C 96459310 PVGFGBIZSSMYFB-MRXNPFEDSA-N 321.377 1.584 0 40 DDAB NC(=O)NCCCOC(=O)c1cc(Br)ccc1F 96442295 VHNCSGVRTIXMCJ-UHFFFAOYSA-N 319.130 1.803 0 40 DDAB Cc1ccc(CCNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)nc1 333518034 NHBVPLUFOOIHIW-CABCVRRESA-N 303.406 1.999 0 40 DDAB CCOC(=O)c1cc(N)n(-c2ccc(S(C)(=O)=O)cc2)n1 95094633 YWCPFWFAHMAOJL-UHFFFAOYSA-N 309.347 1.035 0 40 DDAB COCC(=O)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96046912 PEVGVBRYXZXIQY-UHFFFAOYSA-N 317.389 1.069 0 40 DDAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 247807530 CFIXCNQXMXIHLS-MRXNPFEDSA-N 315.373 1.856 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CCc1ccccc1 257214906 CNYABMPHWYEOEF-GOSISDBHSA-N 324.384 1.412 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257301235 RXONPCDZKDYOKI-AWEZNQCLSA-N 316.361 1.532 0 40 DDAB CC(=O)N1CCC(c2cncc(-c3cnc4ncccn34)n2)CC1 257275017 NNPRHDYFMDBMGR-UHFFFAOYSA-N 322.372 1.912 0 40 DDAB Cc1cc(C2CCN(C(=O)Cn3cccn3)CC2)nc2ccnn12 257291778 QIOUIGVQNAZKRR-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 257320624 VXPFFZJCMFEPSZ-HNNXBMFYSA-N 324.388 1.837 0 40 DDAB CNc1cccc([C@H]2CN(Cc3cnc(OC)nc3)CCO2)n1 257285815 PIZQCDRURABWLE-CQSZACIVSA-N 315.377 1.495 0 40 DDAB Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 257259463 KYNGMVQFHFQSGD-GFCCVEGCSA-N 304.375 1.358 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCOC[C@H]1c1ccn[nH]1 257217322 CYLYPNDIAFKRDJ-AWEZNQCLSA-N 304.350 1.547 0 40 DDAB COC(=O)CCSc1cccc(NC(=O)N2CC[C@@H](O)C2)c1 273335719 KYRDDPMAJMBATM-GFCCVEGCSA-N 324.402 1.940 0 40 DDAB O=C(N[C@H]1CCc2ncnn2C1)N[C@@H](c1ccccc1)C(F)F 294169317 JBOLQFUZACHFSD-AAEUAGOBSA-N 321.331 1.899 0 40 DDAB COCC[C@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1 585095309 OTMDUSZYXDQJHV-CYBMUJFWSA-N 300.362 1.587 0 40 DDAB CCc1cc2c(N[C@@H]3C[C@H](C(=O)O)C[C@H]3O)ncnc2s1 662895837 HNLRRBMRKSTVJN-WHGOUJPWSA-N 307.375 1.890 0 40 DDAB Cc1noc(CCNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)n1 590168836 XSFBMBDFBJZAQK-LLVKDONJSA-N 304.354 1.233 0 40 DDAB CC(C)N(C)CC1CCN(c2ncnc3c2cnn3C)CC1 52488281 XROVDWNLJBAVGL-UHFFFAOYSA-N 302.426 1.920 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N(C)C[C@H](C)O 133489332 NUAWWOZSCVVAKV-VIFPVBQESA-N 322.224 1.759 0 40 DDAB O=C(c1cccc(Br)c1)N1CC(n2nccn2)C1 888107132 PTMFSJNPNWCDDG-UHFFFAOYSA-N 307.151 1.738 0 40 DDAB O=C(NCCO)/C(=C/c1ccco1)NC(=O)c1ccccc1 5003475 CRVBVEUEMSZWCJ-KAMYIIQDSA-N 300.314 1.159 0 40 DDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccs1 5675145 PICVBDUEOVHHQK-GFCCVEGCSA-N 305.355 1.968 0 40 DDAB Cc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3sccc3n12 12115239 NLGDGNBWNOHKPA-UHFFFAOYSA-N 318.402 1.934 0 40 DDAB Cc1occc1-c1nn(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)o1 12154216 RVUYZLMVPPSPHS-PHIMTYICSA-N 319.361 1.909 0 40 DDAB Cc1ccnc(NC(=O)C[C@H]2CSc3nccc(=O)n32)c1 12666904 BJEIGHDTKXKHII-JTQLQIEISA-N 302.359 1.622 0 40 DDAB O=C(c1cncc(F)c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 245026702 NHHXFWXLCUNZIL-ZDUSSCGKSA-N 301.325 1.777 0 40 DDAB CN(C)C(=O)COC(=O)c1cc(Br)ccc1N 4246214 UUABECNQKGESCH-UHFFFAOYSA-N 301.140 1.276 0 40 DDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(S(C)(=O)=O)C3)nc1 1888853240 AJKROCDBIGQHKJ-OCCSQVGLSA-N 311.407 1.226 0 40 DDAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 28196551 AZCXOOMBGXAXKX-UHFFFAOYSA-N 321.358 1.127 0 40 DDAB Cn1[nH]c(=O)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 32150847 PKVZJWYZSQYRJX-UHFFFAOYSA-N 314.267 1.431 0 40 DDAB O=C(c1cscn1)N1CCC(COc2ncccn2)CC1 1775995708 FLWUMSSUJKMWTK-UHFFFAOYSA-N 304.375 1.864 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(Cc3nncn3C)C2)nc1 1776001009 UOTJGLOOCRYTQB-CYBMUJFWSA-N 302.382 1.205 0 40 DDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)[C@@H]1CCOC1)CC2 1614930730 BTDYJYWZVDRNBM-CYBMUJFWSA-N 318.373 1.140 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1C 1565543041 JIQDZOCONJLQHW-GFCCVEGCSA-N 323.393 1.256 0 40 DDAB Cn1nc(Cn2cccc2)c2c1CN(C(=O)c1csnn1)C2 1565554875 IKHMFBTXPSUNJF-UHFFFAOYSA-N 314.374 1.277 0 40 DDAB NC1=N[C@](O)(c2ccccc2)[C@H](NC(=O)c2ccccc2)S1 523873 ASLFRGULYHGHOP-ZBFHGGJFSA-N 313.382 1.649 0 40 DDAB Cc1cc(C(=O)Nc2nnc(-c3cc(C)nn3C)o2)n(C)n1 13615057 UGYATCGHJGVDHX-UHFFFAOYSA-N 301.310 1.073 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(NC(C)=O)cc1 225633692 FHHHTIDVYWARAS-KGLIPLIRSA-N 320.345 1.048 0 40 DDAB Cc1ccc(=O)n(CC2CN(c3ncnc4ccsc34)C2)n1 585602826 AIMJSUDZFLPECF-UHFFFAOYSA-N 313.386 1.693 0 40 DDAB O=C1CCN(Cc2nc(-c3ccc(F)cc3Cl)no2)C(=O)N1 96409752 DXGXHYHKKKKXAV-UHFFFAOYSA-N 324.699 1.971 0 40 DDAB Cn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21 100504435 PMPNTJQPLDGDLF-UHFFFAOYSA-N 311.297 1.597 0 40 DDAB aggregator CN(C(=O)Cn1c(=O)c(=O)[nH]c2ccccc21)c1ccccc1 40548961 QFBDDNBZRSSCEB-UHFFFAOYSA-N 309.325 1.353 0 40 DDAB Cc1cc2c(NCCC(=O)N3CCOCC3)ncnc2s1 31866376 RMUJGLFFZPWPHP-UHFFFAOYSA-N 306.391 1.661 0 40 DDAB Clc1nc(NCc2ccccc2)nc(N2CCOCC2)n1 282633 ARNIUTYNOCQSOR-UHFFFAOYSA-N 305.769 1.974 0 40 DDAB COC(=O)Cc1c(C(=O)OC)[nH]c(C)c1C(=O)OC(C)(C)C 398610 HYVNSKSNJUIWLR-UHFFFAOYSA-N 311.334 1.781 0 40 DDAB CC[C@@H](CO)N1CCN(Cc2cccc(NC(C)=O)c2)CC1 75960068 HNXBSCZTLFVBRV-KRWDZBQOSA-N 305.422 1.534 0 40 DDAB COCC(=O)N[C@H](C(=O)N[C@H](C)Cc1cccc(F)c1)C(C)C 78116012 VDNHYAJMWVXZPA-WBMJQRKESA-N 324.396 1.660 0 40 DDAB CC(C)CCC1(CCSC(=O)S)C(=O)NC(=O)NC1=O 1752236 VCRMJYGSBTXKPO-UHFFFAOYSA-N 318.420 1.948 0 40 DDAB CCCc1noc([C@H](C)N(C)CC2CCN(CCO)CC2)n1 69950135 MIGPTNCFSNXMHU-ZDUSSCGKSA-N 310.442 1.719 0 40 DDAB COc1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(OC)c1 6731686 IXLUKWQAVUSBKF-RQJABVFESA-N 321.329 1.521 0 40 DDAB Cn1ncc2c(O)nc(CN(C[C@H]3CCOC3)C3CC3)nc21 52827986 XPONHXKZLNSRKR-SNVBAGLBSA-N 303.366 1.070 0 40 DDAB Cc1nnc(S/C(C(=O)O)=C2/C(=O)Nc3ccccc32)o1 7603858 CTTDYQFBBBHOTH-MDZDMXLPSA-N 303.299 1.918 0 40 DDAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCOCC1 7988350 XINYZZOBRRCISI-NSHDSACASA-N 319.390 1.002 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 33208621 NUMNBAPFQBLYKU-WCQYABFASA-N 314.407 1.141 0 40 DDAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCN(C)C)cc1 10111484 UUOGJZBOOUDRSB-UHFFFAOYSA-N 313.423 1.130 0 40 DDAB Cc1cccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)c1 8040870 LEESJOZUGYUTPT-UHFFFAOYSA-N 310.419 1.820 0 40 DDAB O=C(Nc1cccc(CNc2ccc3nnnn3n2)c1)C1CC1 8707428 KOFZBYQHUHGZJA-UHFFFAOYSA-N 309.333 1.480 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ccccc2)C1 46951073 FCMMDVKCLXYGBO-HOCLYGCPSA-N 317.433 1.886 0 40 DDAB COc1ccc(/C=c2/s/c(=C\C(=O)C3CC3)[nH]c2=O)cc1 104480792 BJMCFKIWGGQVOX-YVKOIJOCSA-N 301.367 1.033 0 40 DDAB O=C(NCc1ccccc1)N[C@H]1CCCc2c1cnn2CCO 47284047 CBWRDWQCNRUQQS-HNNXBMFYSA-N 314.389 1.752 0 40 DDAB c1coc(-c2nnc(CN3CCn4c(nnc4C4CC4)C3)o2)c1 72268399 AUSHDGSXNLWCCV-UHFFFAOYSA-N 312.333 1.814 0 40 DDAB CNC(=O)NC(=O)CN(C)Cc1ccccc1OC(F)(F)F 24977776 VQTYPRWFWCLGBP-UHFFFAOYSA-N 319.283 1.473 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC1CCN(CC2CC2)CC1 58421535 NYHHKJGEKIGZAI-UHFFFAOYSA-N 305.470 1.759 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 72235385 SEVRTOYDIGAHEY-AWEZNQCLSA-N 315.377 1.071 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 10199687 QMWZJKFJSWPOAB-IAQYHMDHSA-N 321.421 1.818 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc2c(c1)OCO2 58160245 GQLGJKQVYTXHGB-VHSXEESVSA-N 307.350 1.840 0 40 DDAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)COc1ccccc1C)CCO2 107424184 IOEJKEUFWBINGF-UNEWFSDZSA-N 305.374 1.779 0 40 DDAB CN(C)C(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 44870537 QVXPZPFNGLXSRH-UHFFFAOYSA-N 301.346 1.950 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)NCCC1=CCCCC1 58269161 MAFVNHIZBXBMBI-UHFFFAOYSA-N 312.373 1.798 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)c1 44936283 HCWGULASDONSPY-NXEZZACHSA-N 315.391 1.314 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCOC[C@H]3C)ccc21 44912614 DTNARDIHBVTBGT-LLVKDONJSA-N 315.373 1.586 0 40 DDAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nn1cnc2ccccc21 58323613 ILVWOXQXTMIMDN-LLVKDONJSA-N 300.362 1.801 0 40 DDAB O=S1(=O)CCC(S(=O)(=O)NC2CCCCCC2)CC1 58377828 RLWNQIHGBMSKHZ-UHFFFAOYSA-N 309.453 1.206 0 40 DDAB CCNC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1 69581172 BJDOGXMHTKVTKM-UHFFFAOYSA-N 304.394 1.037 0 40 DDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)c1cccc2c1OCCO2 69530264 MVOKJSLMJJYVQY-UHFFFAOYSA-N 314.223 1.847 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCCC[C@@H]1C1OCCO1 69569237 RLECBUHCOZNLRB-CQSZACIVSA-N 308.378 1.465 0 40 DDAB COc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cn1 17296540 FDZKVSTYUXTKAV-UHFFFAOYSA-N 303.362 1.677 0 40 DDAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 3536415 HBAHQDNVCIOCPM-LLVKDONJSA-N 316.357 1.846 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1nccs1 12972450 ZESUEJILQDMABK-UHFFFAOYSA-N 311.388 1.450 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN(CCCS(C)(=O)=O)C2)n1 69701339 YYSIJJRMXOYCJG-AWEZNQCLSA-N 314.455 1.042 0 40 DDAB O=C(NCCC(=O)N1CCCCCC1)NC1CCSCC1 69874240 XJZGRRUWIIWERN-UHFFFAOYSA-N 313.467 1.974 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@H](C(N)=O)c1ccccc1 65475495 OPNSMHRSERILCR-AWEZNQCLSA-N 301.394 1.111 0 40 DDAB CC1(C)NC(=O)N(CCCC(=O)NC2CCCCCC2)C1=O 8707967 WCZIIPCMIKQUES-UHFFFAOYSA-N 309.410 1.936 0 40 DDAB COc1cc(C)c(/C=c2\sc3n(c2=O)CCN=3)cc1C(C)C 4525793 ZSVFMODKPKBTQO-DHDCSXOGSA-N 316.426 1.812 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 6599890 SKMDQOQHCZFMCW-SNVBAGLBSA-N 321.358 1.358 0 40 DDAB COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCc1cccnc1 96012585 OLFSOALEWLBSQF-STQMWFEESA-N 312.391 1.233 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(Cl)cc1 4700656 MFGIWXMTNSWQOD-CQSZACIVSA-N 323.824 1.557 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)c2ccccc2C1=O 5662518 PWHKPZMQAPVHNS-BXUZGUMPSA-N 300.358 1.978 0 40 DDAB O=C(Cc1ccc(O)cc1)OCc1cc(=O)n2ccsc2n1 7574750 WWYANFOJYLINPA-UHFFFAOYSA-N 316.338 1.748 0 40 DDAB COc1ccccc1CN(C)CC(=O)NC(=O)NC1CCCC1 16563730 AEQJYYOEYQZYCL-UHFFFAOYSA-N 319.405 1.895 0 40 DDAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ccccc2Cl)CC1 8077071 XPNMOLDSOFGQKL-UHFFFAOYSA-N 306.753 1.319 0 40 DDAB COc1cc2nc(C)sc2cc1NC(=O)[C@@H](C)NC(N)=O 69462079 KKLWLSCGMQRDQN-ZCFIWIBFSA-N 308.363 1.609 0 40 DDAB Cc1cc(O)c2c(C)c(CC(=O)N(C)CCO)c(=O)oc2c1 9305510 FBCWGKVFBDLHJS-UHFFFAOYSA-N 305.330 1.109 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)/C=C/c3cccnc3)CC2)S1 96426944 QWQAUGXRZVBDQM-IHVVCDCBSA-N 316.430 1.730 0 40 DDAB CC(=O)N1CCC2(CC1)NC1(CCCC1)C(=O)N2CC1CC1 96455424 KMSNVRQUYLYSEA-UHFFFAOYSA-N 305.422 1.480 0 40 DDAB CC(=O)N(C)c1nc(CN[C@H]2CCc3nc(C)nn3C2)cs1 71879321 MDNJZXXTEAJYRD-NSHDSACASA-N 320.422 1.130 0 40 DDAB Cc1ccc(Cl)c2ccc(NC(=O)Cn3cnnn3)nc12 97230894 CLTCFORKTAABCY-UHFFFAOYSA-N 302.725 1.822 0 40 DDAB Cc1nc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)oc1C 84061399 JJRDEHMGZMPYKB-HNNXBMFYSA-N 306.366 1.196 0 40 DDAB O=C([C@H]1CSCN1C(=O)CC1=CCCCC1)N1CCOCC1 95389651 IRQCXAKFPSUGFP-CQSZACIVSA-N 324.446 1.637 0 40 DDAB CC[C@H]1CN(C(=O)c2sccc2OC)C[C@H]1N1CCOCC1 84735953 NGZUDPQGVVCAQV-QWHCGFSZSA-N 324.446 1.940 0 40 DDAB CN1CCN(C)[C@H](CNCc2ccc(OC(F)F)c(F)c2)C1 95437371 ZVPDFLIIYWCPAU-GFCCVEGCSA-N 317.355 1.763 0 40 DDAB Cc1nnc2ccc(N[C@@H]3CCO[C@]4(CCSC4)C3)nn12 95426373 QFPLZRRPAOLWKD-BXUZGUMPSA-N 305.407 1.899 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 95437839 WVEPJYHIXUHBND-LLVKDONJSA-N 308.334 1.796 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(F)c(C)c1 73366792 YYPGWAAOIAFUGB-UHFFFAOYSA-N 302.371 1.744 0 40 DDAB CCOC(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 95707944 XZDZTVFMBGHNPW-UHFFFAOYSA-N 301.339 1.651 0 40 DDAB in-vitro CCN(C(=O)c1cccn1C1CCCC1)[C@@H]1CC(=O)NC1=O 95995052 YZIPTBXRZPSCPC-CYBMUJFWSA-N 303.362 1.480 0 40 DDAB CN(c1nc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)cs1)C1CC1 89917123 LMKCUDJFIALHEX-HNNXBMFYSA-N 320.418 1.962 0 40 DDAB Cc1nn(Cn2nc(C(=O)O)cc2C)c(C)c1Br 62701467 NEROFALNJMIYFW-UHFFFAOYSA-N 313.155 1.971 0 40 DDAB O=C([C@H]1CCCO1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 306134004 NBNHITZNLWOOJN-JJXSEGSLSA-N 318.373 1.003 0 40 DDAB CC(C)C1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 516786766 FMWPYTVNMBRMHT-NEXFUWMNSA-N 322.453 1.155 0 40 DDAB Cc1cc(C(=O)N2CC(=O)N(C3CC3)C2)c(C)n1[C@H]1CCOC1 529218789 PTEPFPISADCWLF-AWEZNQCLSA-N 317.389 1.471 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 77939921 ULPJKKHIYJLPED-UKRRQHHQSA-N 304.390 1.909 0 40 DDAB CC(C)n1cnnc1CNC(=O)c1cnn(C)c1-n1cccc1 79001364 VQKNWFNUGFHPCK-UHFFFAOYSA-N 313.365 1.313 0 40 DDAB COc1cccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)c1 36635303 PVDNCYCZTAHXMI-LLVKDONJSA-N 305.359 1.337 0 40 DDAB Cc1nnc(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)s1 72270665 CBOFLOHYXKLGDW-SNVBAGLBSA-N 306.395 1.388 0 40 DDAB CCc1ccnc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1 187238493 CVJCYLHQVQNRTD-UHFFFAOYSA-N 312.435 1.929 0 40 DDAB COc1c([C@H]2ON=C(C(=O)O)[C@@H]2C)cc2c(c1OC)OCO2 35327397 ITGBMRBTMORXHR-WKEGUHRASA-N 309.274 1.581 0 40 DDAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccsc1 225804037 HWZBYMLKMGQIHD-UHFFFAOYSA-N 302.315 1.416 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@@H]2CC[C@@H](SC)C2)CC1 81473285 CZDXTYORQIOMKV-HUUCEWRRSA-N 313.511 1.757 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(c2ncccc2Cl)C1 195537904 HQXGEVMRUIPQHX-JTQLQIEISA-N 303.815 1.501 0 40 DDAB COC[C@@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)C1CC1 195546964 DVHPCSIARBRJMJ-CMPLNLGQSA-N 323.359 1.689 0 40 DDAB CNC(=O)[C@H]1CO[C@H]2CCN(Cc3c(C)noc3C)C[C@H]2C1 96066012 FSJZYYVDONAFNG-NFAWXSAZSA-N 307.394 1.264 0 40 DDAB CC1(C)Cc2cc(CN3CC[C@H](NS(C)(=O)=O)C3)ccc2O1 93531023 VPEALODPIDXJGV-AWEZNQCLSA-N 324.446 1.524 0 40 DDAB O=C(c1cccnc1)N1CCC2(CN(CC3CCOCC3)C2)C1 96046473 PUBSLRGIISTXBA-UHFFFAOYSA-N 315.417 1.656 0 40 DDAB COc1cccc([C@H](CNC(=O)c2snnc2C)OC)c1 96389758 DWRBFMJKORHMTP-LBPRGKRZSA-N 307.375 1.973 0 40 DDAB CCOCC(=O)N1CC[C@@]2(CN(CC3CC3)C[C@H]2COC)C1 96215863 OMIPIGQEWAHQNN-DOTOQJQBSA-N 310.438 1.230 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3O2)n1 96070541 WIPPXPHWVWNHEZ-ZMLRMANQSA-N 320.374 1.827 0 40 DDAB CCOC[C@H]1CN(C(=O)c2ccnnc2)Cc2cnn(CC)c21 96198351 UIEHGSSQACTAOT-CQSZACIVSA-N 315.377 1.469 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2CCN(c3cccnc3)C(=O)[C@H]2C1 96082057 ZEYQRBHHELJUNB-ZBFHGGJFSA-N 322.368 1.602 0 40 DDAB Cc1cnc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)nc1 96182263 LNNRJRGRSHIJIT-GASCZTMLSA-N 309.373 1.388 0 40 DDAB O=C(CN1CCO[C@H](c2nccs2)C1)NCc1cccs1 97203915 BQQNWNQXBINFDP-LBPRGKRZSA-N 323.443 1.894 0 40 DDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@H]2CCCC[C@H]2O)C1 245289723 DRBTWDWTAPXRON-SOUVJXGZSA-N 318.483 1.330 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(CO)C(=O)O 242687467 UGZSXEULGFAUDD-WZRBSPASSA-N 318.778 1.304 0 40 DDAB Cc1nnc(N2CC3(CC[C@H](CN4CCCC4=O)CO3)C2)s1 248018691 LJVMFTRISXFCAE-GFCCVEGCSA-N 322.434 1.454 0 40 DDAB Cc1c[nH]c([C@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 257307033 SWYSUMRJMFZKGG-CYBMUJFWSA-N 304.394 1.784 0 40 DDAB C[C@@H]1CCO[C@H]1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 253369552 DYEJEOQNBXXZAO-LERXQTSPSA-N 322.792 1.765 0 40 DDAB CO[C@H]1CN(C(=O)COc2cccnc2)CC[C@@]12CCCO2 257254025 KBGSJZHBNBDOGA-HOCLYGCPSA-N 306.362 1.257 0 40 DDAB O=C(c1cccnn1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257275410 NPHIYXDQHRXDHF-CQSZACIVSA-N 308.345 1.887 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ccsc3)CCO2)n1 257256859 KNENPTCQCXXKJG-GFCCVEGCSA-N 305.359 1.766 0 40 DDAB CCN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21 252487771 IBJPVYTWRYVQQY-UHFFFAOYSA-N 308.403 1.770 0 40 DDAB Cc1cc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)on1 257253942 KAYRTXQSMGFWMN-CYBMUJFWSA-N 316.361 1.555 0 40 DDAB Cc1ncc2cncc([C@H]3CCCN(C(=O)CCC(N)=O)C3)n12 257257469 KPRFPJZAGZAVLP-LBPRGKRZSA-N 315.377 1.009 0 40 DDAB CCCn1cc(CN2CCO[C@H](c3cc(O)nc(C)n3)C2)cn1 257266077 MBLQWUFVAROPNO-HNNXBMFYSA-N 317.393 1.671 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@@H](Cc2cccnc2)C1 257270811 MVTFKHSORYJRDX-HNNXBMFYSA-N 312.373 1.120 0 40 DDAB C[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC[C@H]1C 252497665 QMNUKZACAZEFBU-CWVYHPPDSA-N 309.454 1.926 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257314354 UWPJKDXVRLNXTE-LLVKDONJSA-N 309.395 1.020 0 40 DDAB COc1ccc(CN2C[C@@H]3CN(C)CCN3C(C)(C)C2)cc1 253400726 LPEZTLJTGOWDQC-INIZCTEOSA-N 303.450 1.905 0 40 DDAB biogenic,in-vitro CCOCCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@@H]2C 585097495 KNUMMGKBOUXBTI-GFCCVEGCSA-N 318.377 1.976 0 40 DDAB CCN1CC[C@]2(CCCN(C(=O)Cc3ccccn3)CC2)C1=O 585102525 BLQFGCINWQLDBD-SFHVURJKSA-N 315.417 1.875 0 40 DDAB NC(=O)c1ccc(=O)n(Cc2ccc(Cl)c3cccnc23)n1 69486764 VSLAYRNJGKQABX-UHFFFAOYSA-N 314.732 1.592 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H]1COc2cc(OC)ccc2C1 64388970 ULUYTUMCBLTWSV-NSHDSACASA-N 307.346 1.314 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c(F)c1 89432740 DJKMVSCLLPNVJU-TZMCWYRMSA-N 308.353 1.998 0 40 DDAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(CC(N)=O)C2)n1 1615526194 PRNYFXITPHHNPN-SNVBAGLBSA-N 318.406 1.260 0 40 DDAB Cc1nccc(N2CC(Cn3cc(Br)cn3)C2)n1 1889081527 UGBOUDCBQXFURK-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB O=C1CC2(CN(S(=O)(=O)c3ccccc3)C2)ON1CC1CC1 1549162343 PFQYBYLFJMEBQQ-UHFFFAOYSA-N 322.386 1.004 0 40 DDAB Nc1cc(C(=O)O)c(I)cc1C(=O)O 1776010809 NEBBVVLJGRJSHT-UHFFFAOYSA-N 307.043 1.270 0 40 DDAB CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3nsnc3c2)C1 19745909 AXMCYRNIYITJNH-HNNXBMFYSA-N 318.402 1.680 0 40 DDAB Oc1cc(C2CC2)nc(N2CCN(c3ncncc3F)CC2)n1 1888855814 OKLHVBFHXDIMCB-UHFFFAOYSA-N 316.340 1.315 0 40 DDAB CNC(=O)CN(CC(=O)NC)C1CCC(c2ccccc2)CC1 31466596 QUCSFIIHXCALJC-UHFFFAOYSA-N 317.433 1.507 0 40 DDAB Cc1c(C(=O)NC[C@H](C)N2CCc3sccc3C2)cnn1C 32429389 HPFVEKMDBZWJEF-NSHDSACASA-N 318.446 1.967 0 40 DDAB CCOc1ccccc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037984399 ZRPDAORRGVZZRS-HOTGVXAUSA-N 318.417 1.764 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]2OCC[C@H]21 1565546460 BWSIYKXMGVAFNN-RRFJBIMHSA-N 317.389 1.018 0 40 DDAB Cc1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)no1 10325835 PZUXCVLTAHNXMW-UHFFFAOYSA-N 307.737 1.934 0 40 DDAB O=C(CCc1ccccc1)NCc1nnnn1-c1ccccc1 10593112 NWBVNZUUONRIPX-UHFFFAOYSA-N 307.357 1.911 0 40 DDAB CCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3452915 PPKMTIIIVKXXCU-UHFFFAOYSA-N 315.350 1.814 0 40 DDAB Cc1ccnc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 40472859 OHPZBUNRABJDIE-UHFFFAOYSA-N 319.386 1.609 0 40 DDAB CC1CCN([C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 100857674 VMPVYEIMFORJHH-CQSZACIVSA-N 316.357 1.749 0 40 DDAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cn[nH]c3)CC2=O)cc1 40512188 NPZZUFANZGHAJF-NSHDSACASA-N 314.345 1.800 0 40 DDAB CCN1CCC[C@H]1CNc1c(NCc2ccncc2)c(=O)c1=O 101694199 PWFDLRMFNNJHFV-ZDUSSCGKSA-N 314.389 1.186 0 40 DDAB COc1cccc(-n2nnnc2SCC(=O)NC(C)(C)C)c1 415257 RAXZKZXELJRPNX-UHFFFAOYSA-N 321.406 1.678 0 40 DDAB O=C(CC[C@@H]1CCCO1)N[C@@H]1CCCN(c2ncccn2)C1 46425369 YNXFWLMWYJSFEB-KGLIPLIRSA-N 304.394 1.521 0 40 DDAB O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 806825 MFMUKQRSDPMDDH-VIFPVBQESA-N 323.805 1.912 0 40 DDAB CCN(CC(=O)NC1CCOCC1)C[C@@H](O)c1ccc(C)cc1 76089701 RLKGWYGPEDGIJJ-QGZVFWFLSA-N 320.433 1.646 0 40 DDAB Cc1cc(C)cc(C[C@@H](C)NS(=O)(=O)N2CCOCC2)c1 76062339 WGJPEEDRANHLET-CQSZACIVSA-N 312.435 1.401 0 40 DDAB c1nc2c([nH]1)CCN[C@H]2c1ccc([C@@H]2NCCc3[nH]cnc32)cc1 1730854 YMRZRVBWYWHBST-HOTGVXAUSA-N 320.400 1.603 0 40 DDAB CCC[C@@H](c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1 4356311 LLBGEAGNJNZKNC-AWEZNQCLSA-N 322.457 1.758 0 40 DDAB CN(C)c1cccc(C(=O)N2CCC[C@H](C3OCCO3)C2)c1 69515189 QRNHGYXDBGZZTJ-AWEZNQCLSA-N 304.390 1.978 0 40 DDAB COc1ccc(OC)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 7118379 VYYBACAYGXOXGY-UHFFFAOYSA-N 316.357 1.939 0 40 DDAB O=C(COc1ccc2c(c1)CCC2)NCc1nnc2ccccn12 7717488 CFZXJMMWWBSHPP-UHFFFAOYSA-N 322.368 1.913 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108526045 IFNRYNUEXIHIBO-HJWJTTGWSA-N 315.417 1.539 0 40 DDAB CS(=O)(=O)CCNC(=O)CCOc1ccc(Cl)cc1 53299318 VZKFZGACOOKWGJ-UHFFFAOYSA-N 305.783 1.270 0 40 DDAB CCOC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421283 IASPFNXMCXJUSF-UHFFFAOYSA-N 309.757 1.786 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cncc(F)c1 104344176 YRBRJEFGPGPWRG-NFAHFFEMSA-N 311.316 1.677 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)O 37730377 FAOXCIFITRFXOW-UHFFFAOYSA-N 315.738 1.871 0 40 DDAB Cn1cc(CN2CCN(C[C@H](O)c3ccccc3F)CC2)cn1 72267714 RJFFROVSYRXRKC-KRWDZBQOSA-N 318.396 1.410 0 40 DDAB O=C(Cc1noc2ccccc12)NC[C@H]1CN2CCC[C@H]2CO1 106166461 PVHGWRWUEZIESC-STQMWFEESA-N 315.373 1.350 0 40 DDAB COC(=O)[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCCO2 24980577 GZJDJTDDYFKOJT-CYBMUJFWSA-N 319.357 1.554 0 40 DDAB CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 43302564 OVINHSNIDOLQHM-CQSZACIVSA-N 305.378 1.030 0 40 DDAB C/C=C/Cn1c(S[C@H](C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C 12647458 HSVLVBJYUMCCTL-VUHVRTRXSA-N 322.390 1.069 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 107049147 UYQRNKRJODGOKY-ZJPYXAASSA-N 314.429 1.848 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)N[C@@H]1CCCc2ccccc21 3350844 IVBFTZSPDPRBTJ-ZWNOBZJWSA-N 317.418 1.885 0 40 DDAB CCN(CC)CCn1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cn1 108105129 STONSEHCMHINEX-RBSFLKMASA-N 321.425 1.666 0 40 DDAB CC(C)[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)N1C[C@H](C)O[C@H](C)C1 57555070 ANJSUUQJTATAKW-DLTWYDFYSA-N 323.481 1.473 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 44744105 ZJXPQIBVUXTCLX-ZDUSSCGKSA-N 323.441 1.225 0 40 DDAB CCN1CCC[C@@H](CNS(=O)(=O)c2cc(F)ccc2F)C1 58162234 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Cc1cnc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 13984483 CHCCTKMJFUFSHG-NXEZZACHSA-N 307.375 1.565 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cn2cccnc2=O)o1 65453834 GBBQRAHPWKSQAQ-YPMHNXCESA-N 301.346 1.618 0 40 DDAB Cc1nc(-c2ccccn2)nc(N2CCC[C@@H](C(N)=O)C2)c1C 65565147 ZASCUEDOTPXTAQ-CYBMUJFWSA-N 311.389 1.857 0 40 DDAB CCCn1nnnc1CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 14171578 AQHUTTVABZSFPA-NSHDSACASA-N 314.349 1.440 0 40 DDAB CN(C(=O)CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 5426594 VUVCYVFDMYHKKZ-GFCCVEGCSA-N 321.402 1.072 0 40 DDAB O=S1(=O)C=C[C@@H](Nc2ncnc3sc4c(c23)CCC4)C1 6541601 ZTEPJZTWYXDDIV-MRVPVSSYSA-N 307.400 1.903 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2ccc(F)c3cccnc23)C1=O 66082961 KYVBXILEKRWFRL-MRXNPFEDSA-N 317.320 1.831 0 40 DDAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccnc(C2CC2)n1 66372470 OVWFYQBDUYDMTR-UHFFFAOYSA-N 307.317 1.786 0 40 DDAB CCOc1ccc(NC(=O)CSc2nncc(O)n2)cc1 15879950 OPLARKHGENFVHA-UHFFFAOYSA-N 306.347 1.707 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2nc(C(=O)O)cs2)[C@@H]1C 90940565 WSUWLAFAEJXPOT-JXVAYASWSA-N 312.391 1.560 0 40 DDAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1cccc(F)c1 8119589 UAMXJJJGSYXCKG-UHFFFAOYSA-N 319.336 1.605 0 40 DDAB COCCNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9256571 IBHBGZNSWAUSKD-UHFFFAOYSA-N 323.352 1.762 0 40 DDAB Cc1cc(C)nc(-n2[nH]c3[nH]c4c(c(=O)c3c2=O)CCCC4)n1 9225463 RHYTYDKQQYKTKG-UHFFFAOYSA-N 311.345 1.293 0 40 DDAB Cc1noc([C@H](C)N2CCN(CCc3ccncc3)CC2)n1 69370601 VWGPVGOMCGOUBE-ZDUSSCGKSA-N 301.394 1.694 0 40 DDAB CCC(CC)C(=O)N[C@@H]1CCCc2cn(CC(=O)N(C)C)nc21 96002940 MNIHBXYJJLIDFA-CQSZACIVSA-N 320.437 1.901 0 40 DDAB COc1ccccc1CC(=O)N1CCCC[C@@H]1C1OCCO1 69417378 VEYSFSVSLQCVIX-CQSZACIVSA-N 305.374 1.992 0 40 DDAB Cn1c(CN(Cc2cccs2)C2CC2)cc(=O)n(C)c1=O 96305410 LOISEFRKJYCIKX-UHFFFAOYSA-N 305.403 1.310 0 40 DDAB Cc1cc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 97113959 WWRGYZVUHSXTQV-NSHDSACASA-N 316.810 1.635 0 40 DDAB COC(=O)C1(NC(=O)CCc2ccnn2C)CCCCCC1 97163555 ANEPSIAYEAYFAM-UHFFFAOYSA-N 307.394 1.735 0 40 DDAB CCCc1noc(CCCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 71829505 RFUSXDQJHVOXIW-NEPJUHHUSA-N 322.409 1.457 0 40 DDAB COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 71890910 CVSGYGSJDGRIHS-SECBINFHSA-N 305.334 1.059 0 40 DDAB NS(=O)(=O)c1ccc(N2CCC[C@@H](O)C2)c(C(F)(F)F)c1 71893803 OBRBHDKFOAXWGA-MRVPVSSYSA-N 324.324 1.314 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H](C(C)C)n3cncn3)C2)n1 71823493 XSRFOFVYBWRNAG-OLZOCXBDSA-N 318.381 1.573 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 71869769 XXNZRJPEHRRKTK-UKRRQHHQSA-N 316.405 1.193 0 40 DDAB O=C(Nc1nnn[nH]1)c1csc(I)c1 71886680 CIMPOIBCFBKTFR-UHFFFAOYSA-N 321.103 1.118 0 40 DDAB NC(=O)NCCCC(=O)NCc1ccc(C(F)(F)F)cc1 9639674 PYSXBYSRFFXHOL-UHFFFAOYSA-N 303.284 1.770 0 40 DDAB CCN1CCN(C(=O)N[C@@H](C)COc2ccc(F)cc2)CC1 72015956 QNRNUXMCXVMDGJ-ZDUSSCGKSA-N 309.385 1.940 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)NCC[S@@](C)=O 95398059 HFPXPQSWNYUHDF-DGIBIBHMSA-N 302.827 1.949 0 40 DDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)C1CCCCC1 95479147 DQJUTCQKPMZMEB-UHFFFAOYSA-N 314.389 1.796 0 40 DDAB C[C@@H]1CCc2c(F)cccc2[C@H]1NCCCNS(C)(=O)=O 95419593 LCTVEPCDTZVMHZ-ABAIWWIYSA-N 314.426 1.978 0 40 DDAB Cn1c(CNC(=O)Cn2nnc3ccccc32)nc2ccccc21 73301407 CBEKHHYFIFYGML-UHFFFAOYSA-N 320.356 1.634 0 40 DDAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN2CCCC[C@H]12 95954223 OZWGONZLTORFBX-ARFHVFGLSA-N 321.465 1.767 0 40 DDAB CCc1ccc([C@H](COC)NC(=O)N2CCC[C@@H](CO)C2)o1 74570796 BMIIFZVUBNSSIZ-OCCSQVGLSA-N 310.394 1.943 0 40 DDAB CNC(=O)[C@@H](C)CN(C)c1cncc(OCc2ccccc2)n1 86187229 HJKSBUSAVPMIKF-ZDUSSCGKSA-N 314.389 1.874 0 40 DDAB Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)s1 75122176 KFCVRUMEYYGPQV-GFCCVEGCSA-N 309.479 1.978 0 40 DDAB CC(C)Cc1noc(CCNS(=O)(=O)c2ccccc2)n1 89856560 BIJSNNSWVMNZKC-UHFFFAOYSA-N 309.391 1.789 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCCn1c(=O)oc2ccccc21 89937934 RUONEIHLXWKFRU-CYBMUJFWSA-N 317.389 1.537 0 40 DDAB CCN(CC)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 27974576 UAKLZQBOVDIDLT-GFCCVEGCSA-N 308.378 1.641 0 40 DDAB CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3cccnc3)[C@H](O)[C@H]2O1 22115781 CBBQACBMQVEKKG-IBEHDNSVSA-N 320.389 1.456 0 40 DDAB C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(-n2cnnn2)cc1 27976167 HOIREBNDCDQIEZ-QWHCGFSZSA-N 315.377 1.831 0 40 DDAB Cc1nnc(NC(=O)NC2CCN(c3ncccn3)CC2)s1 43406768 UWQLOQAFQNBSHA-UHFFFAOYSA-N 319.394 1.427 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)N1CCN(c2nccs2)CC1 43007818 IRIJGNPMCNIEIZ-SECBINFHSA-N 323.340 1.759 0 40 DDAB C[C@H](C(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)O)cc1)S(C)(=O)=O 1549723580 QNGDSBRXHCDGPZ-FXAINCCUSA-N 311.359 1.246 0 40 DDAB C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)N=c1cc2ccccn2[nH]1 516501609 ZZFIOHFJJMFDIB-HIFRSBDPSA-N 313.405 1.847 0 40 DDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@H]2c2ccccc2)cc1 409054960 OSIVNDFHYFCOIS-LSDHHAIUSA-N 311.341 1.169 0 40 DDAB COC[C@@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218405467 VVRYEZUZMBECOL-GVXVVHGQSA-N 318.778 1.568 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@H]1COc2ccccc2C1 75126441 SOYDLODQKNEZHX-CQSZACIVSA-N 300.406 1.888 0 40 DDAB COCCNC(=O)[C@H](OC(=O)c1cccs1)c1ccccn1 35315899 YSYNBKAWBGBQDK-CYBMUJFWSA-N 320.370 1.804 0 40 DDAB O=C(Nc1cnn(Cc2ccccn2)c1)[C@H](O)c1ccccc1 73229850 XVMWZLVEOBXGGV-MRXNPFEDSA-N 308.341 1.999 0 40 DDAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CO)C(=O)O)cc1 218439241 WNXKHNGVJWFHIZ-GUTXKFCHSA-N 312.387 1.213 0 40 DDAB CC(=O)N1CCCC[C@H]1c1cncc(N2CC(C(=O)O)C2)n1 72366310 PYTCIBRRAIKWCE-ZDUSSCGKSA-N 304.350 1.071 0 40 DDAB CC(=O)N1CCC[C@H](Cc2cncc(C(=O)NC(C)C)n2)C1 72365640 MIGVVUMKBHSCTM-CYBMUJFWSA-N 304.394 1.416 0 40 DDAB CCCNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 43468156 YYZHMZXHWSBPSW-UHFFFAOYSA-N 305.378 1.653 0 40 DDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NCc1ccccc1 223313878 BXNQDTCXYVJPEH-UHFFFAOYSA-N 318.354 1.908 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)C1CC1)c1cn(C)c2ccccc12 75149227 SOTJIRZVZUZANZ-MRXNPFEDSA-N 321.446 1.863 0 40 DDAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1ccc2c(c1)CCC2 43286430 SCZUBDWOZANWEZ-SFHVURJKSA-N 316.445 1.945 0 40 DDAB Cc1ccc(C(N)=O)cc1N(C)S(=O)(=O)c1ccccc1 224286293 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CC(C)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 230210425 BOOOEVQTMVKNGI-CABCVRRESA-N 304.390 1.168 0 40 DDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@@H]1c1ccc(F)cc1 96181803 LFKKQMHYFQBCHA-KBPBESRZSA-N 319.292 1.351 0 40 DDAB CC(C)CC(=O)N1C[C@@H]2OCCN(c3ncc(F)cn3)[C@@H]2C1 96248866 YMLHEPRENNGITR-OLZOCXBDSA-N 308.357 1.078 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96218682 VDUFMAXCOOZZLX-GOEBONIOSA-N 303.362 1.566 0 40 DDAB CCc1cnc(CCNS(=O)(=O)N2CCC[C@@H](C)C2)s1 96428652 LOCLENFMAYIMKQ-LLVKDONJSA-N 317.480 1.814 0 40 DDAB Cc1ccc(C)c([C@H](O)CN(C)C[C@H]2CCS(=O)(=O)C2)c1 245289589 CVMUOZIWHACBTF-GDBMZVCRSA-N 311.447 1.703 0 40 DDAB Cn1cc(CN2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@H]32)cn1 248161215 XQSCRTMDXYYEIP-BRWVUGGUSA-N 300.406 1.901 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 247927597 FAOYOIFZJZFQHT-KRWDZBQOSA-N 321.384 1.734 0 40 DDAB CN1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)C1=O 252476787 BKUVLHDYSQQTRO-WCFLWFBJSA-N 309.316 1.351 0 40 DDAB CN(C)c1nccnc1[C@@H]1CN(Cc2nccs2)CCO1 257218558 DDODNPDMYOGBJO-NSHDSACASA-N 305.407 1.573 0 40 DDAB COC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O 252516381 SHOQIVRAYXHNLG-SCRDCRAPSA-N 313.444 1.424 0 40 DDAB CCO[C@H](C)C(=O)Nc1nc(COC)c(C(=O)OC)s1 252492029 MBDFOBORCFSAFY-SSDOTTSWSA-N 302.352 1.440 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)n(C)n1 257208685 BNFALGCVKQBTSX-OAHLLOKOSA-N 317.393 1.555 0 40 DDAB CC(=O)N1CCN(C(=O)C2CCOCC2)C[C@@H]1c1ccccc1 257241614 HYTKQBAVUFXSPQ-QGZVFWFLSA-N 316.401 1.845 0 40 DDAB COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1ncccc1C 585277752 XOCMPMJMLNYFSW-KRWDZBQOSA-N 305.422 1.849 0 40 DDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccccc1 585287689 AXFNDZXCLUBVAA-BGXOTFEXSA-N 319.401 1.307 0 40 DDAB Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@@H](O)[C@@H]2O)cs1 585290662 SKLSJLKTOOYDDY-AZTXLIBOSA-N 310.419 1.588 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1 585140602 HRHPCPQLFPCSGV-RDBSUJKOSA-N 304.394 1.065 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccc(F)cn2)Cc2cn(C)nc21 585110952 GZGLTDJUKWWZBP-LBPRGKRZSA-N 318.352 1.269 0 40 DDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3ncc[nH]3)C2)c1 585275281 BVUHODRINXCOCH-KRWDZBQOSA-N 317.389 1.360 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(F)cn1)C2 585108587 WTDRCPNKHFOITL-DOTOQJQBSA-N 322.380 1.807 0 40 DDAB COC[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 48264830 KWSKBKKAGKACMI-CYBMUJFWSA-N 309.410 1.920 0 40 DDAB C[C@@H](C(=O)NCCOc1ccc2c(c1)CCC2)S(C)(=O)=O 56009898 RWJYHXBDDMHNFE-NSHDSACASA-N 311.403 1.103 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCOC[C@@H]1C 55298344 LLZDZCHBNZLVAK-VIFPVBQESA-N 304.375 1.769 0 40 DDAB O=C(Oc1ccc(OCC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 63622949 FXXOBVMIWIDKDN-GFCCVEGCSA-N 310.371 1.816 0 40 DDAB NC(=O)[C@H](c1ccc(Br)cc1)N1CCC(O)CC1 69563632 LLUOEGBRISEEQY-LBPRGKRZSA-N 313.195 1.432 0 40 DDAB Cc1cc(N2CCC[C@@H]2C(=O)NCC(F)(F)F)nc(C)n1 65419265 UYRWMCJZQAUVRH-SNVBAGLBSA-N 302.300 1.741 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)C1CCCCC1 70636784 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CCn1cccc1-c1noc(CNC(=O)NC[C@@H]2CCCO2)n1 225769674 RYBKLTXYGDFTEL-NSHDSACASA-N 319.365 1.536 0 40 DDAB Cc1nnc(S[C@H](C)C(=O)NC(N)=O)n1Cc1ccccc1 3411423 FOPHIJNDQZEJJS-SECBINFHSA-N 319.390 1.310 0 40 DDAB CC(=O)Nc1cccc(C(=O)NCc2nnc3ccccn23)c1 9586319 FAHWVNACCPUIRO-UHFFFAOYSA-N 309.329 1.618 0 40 DDAB O=C(COC(=O)[C@H]1CCCO1)Nc1ccc2c(c1)OCCO2 7033665 HHXLDSVZYFTTRW-GFCCVEGCSA-N 307.302 1.119 0 40 DDAB O=C([C@@H]1CN(Cc2ccccc2F)CCO1)N1CCSCC1 1888904383 LIWQQQAWDRTWSC-HNNXBMFYSA-N 324.421 1.602 0 40 DDAB O=C(NCc1cccs1)[C@@H](Cc1ccccc1)n1cnnn1 25362615 YZLUAPIGWMYEES-CQSZACIVSA-N 313.386 1.835 0 40 DDAB Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)no1 38622129 BELXEYPKULTIQK-CYBMUJFWSA-N 321.402 1.848 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CCO1 25838367 NDCGGFAHYAEWIF-SECBINFHSA-N 314.183 1.503 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCC(N2C(=O)COC2=O)CC1 252502631 URZHSSHJWPVYGY-UHFFFAOYSA-N 320.320 1.338 0 40 DDAB COCCN1CCC[C@]12CCCN(C(=O)c1csnn1)CC2 1614927398 NWPADIVSVHKRNX-HNNXBMFYSA-N 324.450 1.645 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)C2(F)CCC2)[C@H]1Cc1cnn(C)c1 1565546668 CMUOCZIXNMIGER-KGLIPLIRSA-N 308.401 1.386 0 40 DDAB O=C([C@@H]1C[C@H]1F)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553890 MKBPHUGZZSWLRT-ZIAGYGMSSA-N 312.348 1.824 0 40 DDAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)OCCO2 4263891 KIPGSGTUSTWQEL-UHFFFAOYSA-N 324.292 1.594 0 40 DDAB Cc1cc(N2CCC(Oc3nccs3)CC2)n2ncnc2n1 2086889419 VDNNZMLBTGFIRI-UHFFFAOYSA-N 316.390 1.937 0 40 DDAB O=S(=O)(NCc1nnc2cc(C(F)(F)F)ccn12)C1CC1 225808201 KVQGCYDGKXKTRE-UHFFFAOYSA-N 320.296 1.330 0 40 DDAB O[C@@H](CN1CCN(c2ncccn2)CC1)c1ccccc1Cl 40528224 DAVFTZJPZSSYQH-HNNXBMFYSA-N 318.808 1.986 0 40 DDAB Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cs1 29614620 VPZRMGVPNWQEHG-CQSZACIVSA-N 316.382 1.892 0 40 DDAB OC[C@H](CNC[C@@H]1CNc2ccnn2C1)Cc1ccccc1 69490001 DQISXWOEADLYJB-JKSUJKDBSA-N 300.406 1.366 0 40 DDAB Cn1ccnc1CN1CCN(C[C@@H](O)c2cccc(F)c2)CC1 69443512 YLVKVVKOFRZXTD-MRXNPFEDSA-N 318.396 1.410 0 40 DDAB COCCOc1ncccc1C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 76051632 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O=C(N[C@H]1CCCCNC1=O)N[C@H]1CCOc2ccccc21 43164796 ADBOGQHWJRZYEL-STQMWFEESA-N 303.362 1.478 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100179610 KVMAWRQFOJLWOB-QLKXBERHSA-N 309.321 1.942 0 40 DDAB OCC[C@@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 106772632 UVWHUAYBJIAMKZ-HOCLYGCPSA-N 311.397 1.798 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccccc2S(C)(=O)=O)no1 25138288 IJFQHIHQAIPXOT-UHFFFAOYSA-N 308.359 1.659 0 40 DDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H](O)C1 43851463 FXZKBRKFQXRLRY-SECBINFHSA-N 300.261 1.997 0 40 DDAB O=C(NCCc1cccnc1)NC[C@@H]1COc2ccccc2O1 26312538 QFZKEKNBKAHZSY-CQSZACIVSA-N 313.357 1.763 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1O[C@H]3c4ccccc4[C@H]1[C@H]32 100349986 QHVLCBUNKCSGKW-FZKCQIBNSA-N 319.320 1.723 0 40 DDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)N1CCCCC1 26838685 QZWFHHDSUWYZOJ-UHFFFAOYSA-N 321.406 1.088 0 40 DDAB O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(F)cc1 1858642 SUMVDQVOZXCAGE-UHFFFAOYSA-N 315.300 1.982 0 40 DDAB 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COc1ccccc1CCN(C)C(=O)N[C@H](C)c1nncn1C 69698419 JIXHRRZKHXTTSJ-GFCCVEGCSA-N 317.393 1.769 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H]1COc3ccccc3O1)C2 69665441 KKVIYWLRRRQPLU-CYBMUJFWSA-N 314.345 1.023 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 3904265 QVKJIABGKUAJOY-AWEZNQCLSA-N 320.345 1.513 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)c3cccn3C)CC2)nn1 69772325 ZNUUNCNCPCABMP-UHFFFAOYSA-N 313.405 1.865 0 40 DDAB CCOc1ccc([C@H](O)CCN[C@H](CC(=O)O)C(=O)O)cc1 27517040 SASDNCPIASGEEB-CHWSQXEVSA-N 311.334 1.026 0 40 DDAB CC(C)CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13728722 QJJOWHCQHVLZNS-UHFFFAOYSA-N 301.350 1.037 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccc(Cl)cc1 4392202 SLFVGSMDRGEWDO-NSHDSACASA-N 301.795 1.781 0 40 DDAB c1cc2nncn2nc1N1CCN(CC2CCCCC2)CC1 69876313 MYAQSBXFZZEMMH-UHFFFAOYSA-N 300.410 1.827 0 40 DDAB CC[C@H](C(N)=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 69812445 BLUURWQREASZHY-XJKSGUPXSA-N 305.422 1.638 0 40 DDAB COc1c(CNCCNC(=O)c2cccc(C)c2)c(C)nn1C 65496460 ZQSQRBGHQNWCEF-UHFFFAOYSA-N 316.405 1.565 0 40 DDAB c1ccc(CN[C@@H]2CCc3nc(N4CCOCC4)ncc3C2)cc1 306138931 SLCCJFJHKMERAN-QGZVFWFLSA-N 324.428 1.960 0 40 DDAB CC[C@](C)(NC(=O)/C=C/c1ccc(C(=O)NC)cc1)C(=O)OC 65586670 RKDIOEXWUHFNNH-YRYLYKBFSA-N 318.373 1.517 0 40 DDAB CC[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1cc(C)on1 8849591 CZGDEPWQSGCMPN-LLVKDONJSA-N 303.318 1.878 0 40 DDAB CC[C@H](CO)NC[C@@H](O)COc1cccc(Br)c1 5950381 ABLMDJKBDHGMKE-VXGBXAGGSA-N 318.211 1.549 0 40 DDAB NC(=O)[C@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 90023187 RXYMZXLZOQPRRF-CYBMUJFWSA-N 303.362 1.493 0 40 DDAB CCc1ccc([C@H](CNc2ccc3nnnn3n2)N(C)C)cc1 9050172 OQRJJDKLTGDZFM-AWEZNQCLSA-N 311.393 1.797 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)OCC(=O)c1c[nH]c2ccccc12 7979843 NSCUVPVRYNPWSP-AWEZNQCLSA-N 317.345 1.587 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 69027868 TVLNIGSBHHROED-LBPRGKRZSA-N 315.373 1.697 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@H]2c2cnn(C)c2)no1 71797262 LQNOTNMFYKRYJY-ZDUSSCGKSA-N 303.366 1.882 0 40 DDAB COc1cccc(NC(=O)CSCCS(C)(=O)=O)c1 71884091 AMPSMDFCZQESLK-UHFFFAOYSA-N 303.405 1.412 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 71870683 WFNXEVRPDVPRJP-CYBMUJFWSA-N 304.394 1.231 0 40 DDAB Cc1n[nH]cc1CN[C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 72300611 BDBLHOPMCOTIET-FZMZJTMJSA-N 314.455 1.256 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 83987484 CGQZBDYFIDUCSU-JTQLQIEISA-N 322.308 1.360 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1cn3ccsc3n1)CC2 72302385 KDPASFFKEPBAQJ-UHFFFAOYSA-N 301.375 1.048 0 40 DDAB Cc1cc(C)c(CNC(=O)c2c(C)nn3cccnc23)c(=O)[nH]1 84072771 FDVADHQQLHSRNT-UHFFFAOYSA-N 311.345 1.273 0 40 DDAB C[C@H](C[S@@](C)=O)NC(=O)NCCc1ccc(F)cc1F 97086269 MAVOTNSEXIFJGI-YBYGRFCBSA-N 304.362 1.574 0 40 DDAB CCc1cccc(S(=O)(=O)N(C)C[C@@H](C)c2nnn[nH]2)c1 97097290 DOBHONRSKOHNGJ-SNVBAGLBSA-N 309.395 1.186 0 40 DDAB COCCc1cc(NC(=O)NC2Cc3ccccc3C2)n(C)n1 97377576 GZLPDNJRRNXSFR-UHFFFAOYSA-N 314.389 1.898 0 40 DDAB O=C(COC(=O)[C@H]1CCCN1c1ncccn1)c1ccccc1 84517793 NZWWQFWWWOTBON-CQSZACIVSA-N 311.341 1.872 0 40 DDAB COCCN(C)C(=O)[C@H]1CCCN(C(=O)c2cccnc2C)C1 95394070 OXZPMNXVPIGTNX-AWEZNQCLSA-N 319.405 1.347 0 40 DDAB CC(C)C(=O)N1CC[C@H](NC(=O)[C@H](O)c2ccccc2Cl)C1 95450569 CCOBIHMBTWPTDG-SMDDNHRTSA-N 324.808 1.747 0 40 DDAB CCCN(CC(=O)O)C(=O)[C@@H](C)OCc1cccc(OC)c1 95424620 KDVJMRFZRDNIFQ-GFCCVEGCSA-N 309.362 1.924 0 40 DDAB CC[C@](C)(CC(=O)O)NC(=O)[C@H](C)Cc1c(C)nn(C)c1C 95424872 BOIMZQNIKGLEAV-QLJPJBMISA-N 309.410 1.975 0 40 DDAB CC(C)C[C@H](C)n1nccc1NC(=O)NCCN1CCOCC1 95942259 LRZCWRXUXCQBRW-AWEZNQCLSA-N 323.441 1.944 0 40 DDAB O=C(NCc1ncc[nH]1)c1cn(-c2cccc(Cl)c2F)nn1 95989111 GNKHWPDPRAEULC-UHFFFAOYSA-N 320.715 1.713 0 40 DDAB C[C@H](NC(=O)NCCCN1CCCCCC1)c1nncn1C 89913967 AZYDSDDZIWXIFN-ZDUSSCGKSA-N 308.430 1.441 0 40 DDAB C[C@@H]1CN(Cc2nnnn2C2CC2)CCN1c1nccs1 89939452 DAKCZXXVFJQRGE-SNVBAGLBSA-N 305.411 1.175 0 40 DDAB CC(=O)N1CC[C@H](NCc2cc3ccccc3[nH]c2=O)[C@H](C)C1 89937450 WIIBVFRGAVZJSI-WBMJQRKESA-N 313.401 1.875 0 40 DDAB CCCCn1nc(C(=O)N2C[C@@H](CC)[C@@H](N(C)C)C2)ccc1=O 89954907 RKFXJXMSGWSSFC-HIFRSBDPSA-N 320.437 1.456 0 40 DDAB CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CCOCC1 20038555 UCZLDPVKHOVDEG-INIZCTEOSA-N 320.433 1.991 0 40 DDAB C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc(-n3cccn3)cc2)[C@H]1C 1548490348 WLTTWTJVVCOEGT-RWMBFGLXSA-N 312.373 1.610 0 40 DDAB Cc1cc(CN2CCN(C(=O)NCC(C)(C)N(C)C)CC2)no1 43188980 BJPDGFYQXSBPNX-UHFFFAOYSA-N 323.441 1.150 0 40 DDAB C[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1 129192317 VXLTVLMIVWDTOK-LLVKDONJSA-N 322.434 1.858 0 40 DDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)C2CC2)CC1 72392488 KZZVLBIKPZFGLE-UHFFFAOYSA-N 315.420 1.058 0 40 DDAB COc1ccc2oc(C(=O)N3CCO[C@@H](C(=O)O)C3)c(C)c2c1 531746369 BJBRQYPIOKYZRH-CYBMUJFWSA-N 319.313 1.675 0 40 DDAB COC(=O)c1ccc(OCc2noc(C(=O)NC3CC3)n2)cc1 32074005 MFGJWEYWEYVTNY-UHFFFAOYSA-N 317.301 1.327 0 40 DDAB O=C(NCC(F)(F)F)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655766 ALMVYAXUNGUQNW-UHFFFAOYSA-N 322.233 1.715 0 40 DDAB O=C(NCCc1ccccc1)c1cc(-n2cnnn2)ccc1F 79478724 DMNDBTPXMBINQA-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB Cc1cnc(CN2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)o1 72584875 BNXGWTFZFFIPSS-ZDUSSCGKSA-N 315.439 1.523 0 40 DDAB COc1ccc(Br)cc1[C@H]1CC(=O)N=C2NC=NN21 38311264 IPTXMSFLGFCNRM-SECBINFHSA-N 323.150 1.634 0 40 DDAB CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)CC1 558633265 CQEBOWHNQXFIJL-CYBMUJFWSA-N 321.402 1.602 0 40 DDAB O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCCOCC1 78098861 CCLNFILVYBJBNF-INIZCTEOSA-N 304.390 1.136 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241903 ROWZVAPHBYRCDC-GDBMZVCRSA-N 322.380 1.888 0 40 DDAB CN(C)S(=O)(=O)NCc1cc(Cl)ccc1OC(F)F 74979053 OEGBXDCVLHSIGT-UHFFFAOYSA-N 314.741 1.837 0 40 DDAB CN1CCC[C@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1 72387179 USJWNAOAXILQDV-CYBMUJFWSA-N 317.437 1.063 0 40 DDAB CN(C[C@@H]1CCN(CC(=O)O)C1)C(=O)OCc1ccccc1 79413654 XXRDPNVACFQFCB-AWEZNQCLSA-N 306.362 1.662 0 40 DDAB Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)cc1F 195544566 VKDNCIOAUFETLU-JOYOIKCWSA-N 304.362 1.679 0 40 DDAB COc1cc(C)c(CNC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC 83455421 SYBVRPFPGGRYMH-HZPDHXFCSA-N 320.433 1.965 0 40 DDAB O=C(NC[C@H](O)C1CCC1)Nc1cnn(-c2ccccn2)c1 574406488 BMQLCRJAPAKFON-ZDUSSCGKSA-N 301.350 1.550 0 40 DDAB CN1CCN(C)[C@@H](CNC(=O)N(C)Cc2ccccc2Cl)C1 195530162 ORXKZSQRXRTWIS-AWEZNQCLSA-N 324.856 1.727 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C1CCOCC1 96184591 GFYIEGXOYGZFEO-KGLIPLIRSA-N 307.419 1.611 0 40 DDAB CN(C[C@H]1CO[C@]2(CCCN(c3cnccn3)C2)C1)C1CC1 96075663 DEUUHZDOQBKSCA-WMLDXEAASA-N 302.422 1.946 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 96219105 KXSBFXDTVSURNO-BBRMVZONSA-N 302.378 1.599 0 40 DDAB OCCOCc1nnn2c1CN(Cc1ccsc1)CCC2 96256063 LMBFJNZDMVPCCJ-UHFFFAOYSA-N 308.407 1.254 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)N[C@H]1CCc2ccccc21 95470255 RZVOGXXHLHTGIK-AWEZNQCLSA-N 312.325 1.350 0 40 DDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)CSC)cc1 96477992 FPXUFLAXFUUXAZ-MNOVXSKESA-N 302.465 1.997 0 40 DDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039932 XVAKKNDBBKGKHY-HUUCEWRRSA-N 317.451 1.634 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 96040968 DWNQGTTXCGSURF-IHRRRGAJSA-N 321.446 1.649 0 40 DDAB O=C(NCc1cn2c(n1)CN(CC1CCC1)CC2)C1CCC1 96068031 RHGFKQBERZFFBH-UHFFFAOYSA-N 302.422 1.915 0 40 DDAB Cc1nncn1CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 96445326 VFBVJOHFZCCPBU-NWDGAFQWSA-N 306.316 1.785 0 40 DDAB CC(C)CCN1CCC2(CC1)O[C@H](C(N)=O)Cn1ccnc12 96263097 USNLFUMYYOAFGG-ZDUSSCGKSA-N 306.410 1.104 0 40 DDAB CCc1ccc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)o1 92044664 LTIJUAYIZDGLAK-HNNXBMFYSA-N 312.435 1.842 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@H](O)c1ccc(Cl)cc1Cl 96522017 CQZWPJUFSXKOTD-GHMZBOCLSA-N 313.202 1.822 0 40 DDAB O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@H]1CCCOC1 96444812 QJJDGRUZBIVVPV-NSHDSACASA-N 322.327 1.330 0 40 DDAB CC(C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 242803195 FFDMMKDTBPTREW-UHFFFAOYSA-N 322.789 1.770 0 40 DDAB C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 245339034 QCPCBADRPKEHAL-NWDGAFQWSA-N 301.456 1.035 0 40 DDAB COC[C@@H]1CN(C(C)=O)CC12CCN(c1ncc(F)cn1)CC2 247953567 RVCNVKZLCAXFSC-ZDUSSCGKSA-N 322.384 1.327 0 40 DDAB COCC(=O)N1CCCC[C@@H]1c1cc(O)n2nc(C)cc2n1 257250432 JMMVWQFZKUHOCW-GFCCVEGCSA-N 304.350 1.443 0 40 DDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)CCn2ccnc2)C1 257262300 LKWMVTVYCJBUAN-JKSUJKDBSA-N 318.421 1.523 0 40 DDAB COCCN1CCC[C@](CCCc2ccccn2)(C(N)=O)C1 257259260 KXNQOOBCWVLXCI-KRWDZBQOSA-N 305.422 1.618 0 40 DDAB COc1cc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)ccc1F 257205544 AZOWTDDFVVEZSG-GJZGRUSLSA-N 310.369 1.296 0 40 DDAB Cc1c[nH]c([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257274348 NKQCYTVCUGOBNO-ZDUSSCGKSA-N 313.423 1.754 0 40 DDAB Cc1nc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)cs1 257300820 RVVKMIFPDGEHBM-AWEZNQCLSA-N 320.418 1.781 0 40 DDAB Cc1cc(C(N)=O)nc([C@]2(C)CCCN2Cc2cncn2C)n1 257225852 FIDQOIMADSQVSP-INIZCTEOSA-N 314.393 1.129 0 40 DDAB O=C(CC1(O)CCCCC1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257279711 OHURVSAPDMXRIF-IIAWOOMASA-N 310.438 1.176 0 40 DDAB CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]2COCCN2)cc1 261969624 CQWVWHNRUZDOQB-JKSUJKDBSA-N 305.422 1.305 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@]2(OC)CCSC2)cc1 96097582 XIIIUXFPSWDNSD-HNNXBMFYSA-N 309.387 1.725 0 40 DDAB CO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 575403756 NSHICPHXLKZTJZ-LBPRGKRZSA-N 313.444 1.890 0 40 DDAB CCCCC(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575404215 MSGQNXMFRLEETQ-ZDUSSCGKSA-N 305.378 1.806 0 40 DDAB O=C(c1cncnc1)N1CCC[C@@](O)(COc2ccccc2)C1 585269262 NKTXELRYEFQXGM-KRWDZBQOSA-N 313.357 1.523 0 40 DDAB O=C(c1ccc2nsnc2c1)N1CC(Cn2cncn2)C1 828168714 LOZMUQVGHGWIAT-UHFFFAOYSA-N 300.347 1.055 0 40 DDAB COC(=O)c1nn2c(c1I)OCCC2 685937785 RFCFVMHMIAVDMH-UHFFFAOYSA-N 308.075 1.057 0 40 DDAB O=C(NCc1ccc(Cn2cccn2)cc1)NC[C@@H]1CCCO1 54027797 QZNMYPWAGLDCHE-INIZCTEOSA-N 314.389 1.910 0 40 DDAB C[C@H](NC(=O)CCn1cncn1)c1ccc2c(c1)OCCO2 55292706 WZOWVVCOIKUGQP-NSHDSACASA-N 302.334 1.317 0 40 DDAB CN1C[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1=O 69328301 IPZFKBOYZVAVCE-JSGCOSHPSA-N 322.792 1.718 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)C[C@H]2C=CCC2)CC1 69982900 DMJAPDBQTIZHTA-HNNXBMFYSA-N 302.422 1.811 0 40 DDAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)C1(c2cccs2)CCCC1 85469334 VFPQTPZVQWNJJR-FRRDWIJNSA-N 309.431 1.808 0 40 DDAB CCCCS(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 98013635 FRWPINBVQCTDMR-LBPRGKRZSA-N 300.428 1.108 0 40 DDAB O=C1CN(C(=O)c2cccc(Cl)c2Cl)CCN1CCO 89768058 FCZBUWZJVNELNH-UHFFFAOYSA-N 317.172 1.270 0 40 DDAB CCOc1ccccc1S(=O)(=O)NC[C@H](O)CCSC 1775967484 SZOVEPTZIKBWOG-LLVKDONJSA-N 319.448 1.478 0 40 DDAB C[C@@H](NC(=O)[C@@]1(C)CCCO1)c1nc(-c2cccnc2)n[nH]1 12191779 BITITDNVDXLNDX-MEBBXXQBSA-N 301.350 1.613 0 40 DDAB Cn1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)n1 13668126 OLRWAKAUQIBSIM-CCEZHUSRSA-N 316.342 1.443 0 40 DDAB O=C(NCc1csc(Br)c1)c1ccc(O)nn1 31421864 FGCVNFPIECPCJY-UHFFFAOYSA-N 314.164 1.936 0 40 DDAB Cc1ncsc1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037978336 QPIXZULKFTXALS-OAHLLOKOSA-N 323.418 1.305 0 40 DDAB O=C(Cc1ccccn1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 1565542177 CSUCGMLGIWIXIE-AEFFLSMTSA-N 322.412 1.752 0 40 DDAB O=C(NCCCn1ccnc1)c1ccc(O[C@@H]2CCOC2)nc1 225707704 KSBQDQDXWIKJDY-CQSZACIVSA-N 316.361 1.266 0 40 DDAB O=C(CCSc1ccccc1)NCCOCCn1cncn1 606440845 WGIFTYWENRLYRM-UHFFFAOYSA-N 320.418 1.593 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@H]2C[C@@H]1O 2332242741 MVVMGCHEBGWYKA-XGUBFFRZSA-N 306.410 1.553 0 40 DDAB Cc1occc1C(=O)NCC(=O)Nc1nc2c(s1)CCC2 51013168 UCHQZGXWVXZUOU-UHFFFAOYSA-N 305.359 1.902 0 40 DDAB COCC(=O)N1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 40541040 IGGQWHMNIDOXEF-UHFFFAOYSA-N 316.401 1.543 0 40 DDAB COC(=O)c1cccc(NC(=O)c2c(C(=O)O)cnn2C)c1 20616521 KGQPBAHKKQBIMP-UHFFFAOYSA-N 303.274 1.157 0 40 DDAB CC(C)COC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1 260729 FTQWYJFAPRUITF-UONOGXRCSA-N 324.352 1.992 0 40 DDAB CCc1cc(NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)n2ncnc2n1 51903402 BAZFZBOWJZIIKA-UPJWGTAASA-N 318.425 1.596 0 40 DDAB COCCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 32736126 QAMUKRYNOGWCPI-UHFFFAOYSA-N 304.346 1.102 0 40 DDAB O=C(CCN1C(=O)CSc2ccccc21)NC1=NCCS1 32740569 LLVUMXMPFOCLHF-UHFFFAOYSA-N 321.427 1.734 0 40 DDAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C)s1 21474377 ZKCSQCWEUFZLGE-UHFFFAOYSA-N 307.375 1.179 0 40 DDAB CN(C)c1nc(OCC(Cl)(Cl)Cl)nc(N(C)C)n1 267483 XMWKKHCVVFOPTF-UHFFFAOYSA-N 314.604 1.753 0 40 DDAB O=C(c1cnccn1)N1CCC[C@H]1c1nnc2n1CCCCC2 46335025 XVZCBYNGIKNDOQ-ZDUSSCGKSA-N 312.377 1.772 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(O)c1 46421256 NWYWOUGDQVFOKB-CYBMUJFWSA-N 312.373 1.889 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)N2CCOCC2)c1C 29957788 SUIOWPKORSZZBW-JTQLQIEISA-N 307.394 1.285 0 40 DDAB CCc1nc(CN(C)[C@H]2CCN(Cc3cc(C)on3)C2)no1 76047405 KUKBMKDLEJEXGC-ZDUSSCGKSA-N 305.382 1.635 0 40 DDAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)c1 76020454 OSGZHLNUHFVGQF-DZGCQCFKSA-N 304.390 1.909 0 40 DDAB Cc1nc(CNS(=O)(=O)N2CCC[C@H]2c2ccco2)no1 78881050 MHPXMRQGUSTJAA-JTQLQIEISA-N 312.351 1.143 0 40 DDAB Cc1nc(C(=O)Nc2cccc(-n3cnnn3)c2)c(C)s1 79473882 YYKMYZMMIVYOMC-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB Cc1nn(C)cc1CNC(=O)c1nn2cccnc2c1Cl 2793923 BLOUTHQKTGRRID-UHFFFAOYSA-N 304.741 1.355 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2CO)cc1 6692613 NGEVNIHRLHHISR-UHFFFAOYSA-N 320.370 1.938 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6707188 ZPULMZCKQMKSRL-UWVGGRQHSA-N 302.371 1.407 0 40 DDAB N=c1sccn1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 6859761 BDRAZAGIHFLDJI-UHFFFAOYSA-N 313.285 1.989 0 40 DDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6879895 AFMIRTVOQFVWDY-SECBINFHSA-N 304.799 1.533 0 40 DDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)N(C)C 6901680 YDUUBIGSHRJYRQ-UHFFFAOYSA-N 315.373 1.793 0 40 DDAB CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6327649 YJDWQEWWWUSMBH-SECBINFHSA-N 304.799 1.531 0 40 DDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccco2)cc1 8133252 YHJNNMRQIBYLRB-UHFFFAOYSA-N 315.325 1.998 0 40 DDAB N/C(=N\CCNC(=O)c1ccc(Cl)cc1)NCC1CCC1 104161133 XPLAGNCAUDAVTM-UHFFFAOYSA-N 308.813 1.774 0 40 DDAB CC(=O)N1CCCN(CC(=O)Nc2cc(C(C)C)no2)CC1 22982158 MDOMIEJLTOPOMP-UHFFFAOYSA-N 308.382 1.291 0 40 DDAB C[C@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)[C@H]1CCCO1 23196555 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0 40 DDAB Cc1nc2ccc(C(=O)N3CC[C@](O)(CN(C)C)C3)cc2[nH]1 257235170 GWTGRZOZDYSRIJ-INIZCTEOSA-N 302.378 1.010 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3nccc3C)C2)n1 257294309 QTNCLEGSMGWFJI-CQSZACIVSA-N 301.394 1.640 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c1 257285971 PJOXUISGJDKALH-CQSZACIVSA-N 301.394 1.704 0 40 DDAB CN1C[C@H](C(=O)N2CCC(C)(c3nccs3)CC2)CC1=O 257335542 YKPSUSHBCDQECP-LLVKDONJSA-N 307.419 1.502 0 40 DDAB COCC(=O)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257257881 KRLZLBVRUACOOI-AWEZNQCLSA-N 302.374 1.832 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257255050 KFWOHQBNEDZSJE-AWEZNQCLSA-N 301.394 1.906 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c1C 530142249 BEHALLKSXQAJKM-PHIMTYICSA-N 315.395 1.004 0 40 DDAB CO[C@]1(CNC(=O)c2c(C)nc3ccccn23)CCSC1 96097576 ACDJAMQCWKDETE-HNNXBMFYSA-N 305.403 1.895 0 40 DDAB Cn1ncc(C(F)(F)F)c1C(=O)N1c2ccccc2C[C@@H]1CN 658932193 UNJANMBBBTXWTD-SNVBAGLBSA-N 324.306 1.969 0 40 DDAB CC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 44095597 YEVDDYJTBFVFAD-UHFFFAOYSA-N 313.361 1.678 0 40 DDAB COCC[C@@H]1CN(CC(=O)N2CCCC2)Cc2cccn2C1 585095578 YWWDJTDHXOORAD-OAHLLOKOSA-N 305.422 1.579 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)N1CCCc2cc(F)ccc21 48234785 XDTQYJUXTWTBAK-CYBMUJFWSA-N 305.353 1.957 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)NCc1ccco1 53246356 LFDDKQXNTHUOGQ-UHFFFAOYSA-N 301.346 1.867 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)CN(C)c2cnccn2)on1 53402265 ZPXMAWAALLKRBQ-GFCCVEGCSA-N 301.350 1.573 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)c1ccnc(-n2ccnc2)c1 53810023 WTBHVKYONNMOFW-CQSZACIVSA-N 313.405 1.872 0 40 DDAB CN(CC(=O)N(C)C)Cc1nn(-c2ccccc2)c2c1CCC2 58280745 APPJMNIRQHDTBQ-UHFFFAOYSA-N 312.417 1.881 0 40 DDAB C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 95433447 AGEVPSSSWXEJFS-NXEZZACHSA-N 305.346 1.746 0 40 DDAB CCC(=O)N1C(=O)[C@@H](C)[C@@]23c4ccccc4C(=O)N2CCCN13 5662639 RRQUVGMUTHUYRK-PIGZYNQJSA-N 313.357 1.331 0 40 DDAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CC3)n2)c(C)o1 12183782 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QBICFRYJRGNHBE-INIZCTEOSA-N 319.449 1.310 0 40 DDAB CC(C)(C)C(=O)NCc1ccc(/C(O)=N/S(C)(=O)=O)cc1 76758516 MDXYETMWENQTPH-UHFFFAOYSA-N 312.391 1.613 0 40 DDAB CCn1c(C)nc2cc(S(=O)(=O)CS(C)(=O)=O)ccc21 1713672 FDAFEWXSUKZMDF-UHFFFAOYSA-N 316.404 1.140 0 40 DDAB O=S(=O)(Nc1nc2ncccn2n1)c1cc(F)cc(F)c1 79102250 BBDVANCPGKCGMF-UHFFFAOYSA-N 311.273 1.203 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 32971892 VKNQDABBESGQPF-LBPRGKRZSA-N 306.366 1.020 0 40 DDAB COCCn1c(COc2ccccc2)nnc1SCC(N)=O 4161319 IHIWVBCCHDLFIR-UHFFFAOYSA-N 322.390 1.081 0 40 DDAB C[C@H](NC(=O)[C@H](C)n1cccn1)c1ccc2c(c1)NC(=O)CO2 33174738 MWRGKGLTZULDHU-QWRGUYRKSA-N 314.345 1.652 0 40 DDAB CC(=O)O[C@@H]1O[C@@H](C)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(C)=O 4983222 RZVPBCPANJWQKW-JAXMGHNFSA-N 322.313 1.452 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCCCC2)n1 72241021 PBZDTQNGWQFQKR-ZDUSSCGKSA-N 304.394 1.684 0 40 DDAB O=C1C[C@@H](N(C(=O)c2ccc(-n3cccc3)cc2)C2CC2)C(=O)N1 103736704 RYHIVSGQJPSLOK-OAHLLOKOSA-N 323.352 1.497 0 40 DDAB COc1cc(CC(=O)NCCCN2CCCC2=O)ccc1C 22626739 PWQPOODSXCCQLG-UHFFFAOYSA-N 304.390 1.675 0 40 DDAB Nc1cc(O)nc(SCC2=NN=C(O)c3ccccc3O2)n1 10491813 QBBWCMDNFMRDFO-UHFFFAOYSA-N 317.330 1.567 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cn1 8327392 HHPITMXVDSLZQU-UHFFFAOYSA-N 316.313 1.894 0 40 DDAB O=C(Nc1cccc2nsnc12)c1cccc(-n2cnnc2)n1 21721072 SPIIXORYGXRLEF-UHFFFAOYSA-N 323.341 1.919 0 40 DDAB O=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CN1 47719807 IAYCYNKGVVTQHX-OLZOCXBDSA-N 305.378 1.059 0 40 DDAB Cc1ccccc1[C@H](CC(=O)Nc1cnn(C)c1)NC(N)=O 25310835 PQIRACIVARBVCK-ZDUSSCGKSA-N 301.350 1.467 0 40 DDAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1 56057185 FGGFAIAFYNDSTQ-NSHDSACASA-N 324.427 1.731 0 40 DDAB O=C(CNC(=O)Cc1ccc2c(c1)CCC2)NCC(F)(F)F 57007454 GELZPCAWJUQJCG-UHFFFAOYSA-N 314.307 1.513 0 40 DDAB O=C(NCCNc1ncccn1)c1cc2ccccc2c(=O)[nH]1 47992579 KWQVKJGWXBDTNP-UHFFFAOYSA-N 309.329 1.160 0 40 DDAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H](N2CCNC2=O)C1 58048570 QIDDAMDCGWWZRE-CYBMUJFWSA-N 306.341 1.847 0 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CCOc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)cc1OC 188501001 UQJUBGBYGVWVHI-WCQYABFASA-N 320.389 1.820 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 6763082 ARDWFSVWNWAFHT-JTQLQIEISA-N 314.407 1.277 0 40 DDAB Cn1ccnc1SCC(=O)N1CC(=O)Nc2ccccc21 4804315 OPRKQSHHHKYVSB-UHFFFAOYSA-N 302.359 1.498 0 40 DDAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c1 7061305 UZVNZVUQADJYJK-SNVBAGLBSA-N 304.375 1.856 0 40 DDAB COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)NC1CC1 7135505 MBGKAEXSWQQBJW-UHFFFAOYSA-N 310.375 1.028 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccc(OC(F)F)cc1 7407076 SUJFITKOGVADGU-UHFFFAOYSA-N 302.302 1.759 0 40 DDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CCCO2)C1=O 7501933 VBOLZQCNWNEDNJ-BDJLRTHQSA-N 318.329 1.361 0 40 DDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc2c(c1)CCC2 7681583 LWGMSZYXCVASFB-UHFFFAOYSA-N 312.325 1.604 0 40 DDAB O=C(O)c1csc(CNC(=O)[C@@H]2COc3ccccc32)n1 90932675 LYVASRJPDBHZAM-SECBINFHSA-N 304.327 1.634 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1nc(N)nc(N)n1 16615181 GRVROGANWOFIHN-ZETCQYMHSA-N 323.740 1.200 0 40 DDAB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nn1 69490951 XQVPNUJHUVCQCF-UHFFFAOYSA-N 312.373 1.585 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccc2c(c1)CCO2 69571102 YYLWRGGDXVZUIC-CZUORRHYSA-N 319.357 1.632 0 40 DDAB CCc1nc(CCNC(=O)N[C@H](C)c2nncn2C)sc1C 69566900 BYHPDLYXOFIDNF-SECBINFHSA-N 322.438 1.745 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H](OC)c1ccccc1)C2 69598270 XQASQIAPCMVOQS-OAHLLOKOSA-N 300.362 1.570 0 40 DDAB CN(C)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 71846637 YFWZDYRDMPWVSR-UHFFFAOYSA-N 312.417 1.967 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNc2nccc(OC)n2)ncn1 71859437 JNDVEYIHEBIGOU-LLVKDONJSA-N 315.381 1.398 0 40 DDAB CCc1cnc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1 83827864 FBJKGERZXWLXPV-HNNXBMFYSA-N 306.366 1.142 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc2c(c1)OCO2 71903702 NBFQBEMMDOJDFH-JTQLQIEISA-N 313.375 1.311 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2nnc[nH]2)[C@H]1c1cccc(Cl)c1 72286326 WKCIPSAIWZQHLT-CMPLNLGQSA-N 319.752 1.616 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC(=O)N1CCOCC1 72253573 UTPVSETZBWFMSF-HNNXBMFYSA-N 320.437 1.423 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CN2CCCC2=O)n1 72279925 GMBBZRAYHGDKHH-HNNXBMFYSA-N 318.421 1.503 0 40 DDAB COC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccco1 97110617 NNOHZIZNMBEEKF-QWHCGFSZSA-N 304.350 1.096 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1CC(=O)N(C2CCCC2)C1 97197774 BGTQVIZETBUOBF-STQMWFEESA-N 316.405 1.105 0 40 DDAB CN(C)c1ccnc(C(=O)NCCc2nnc3n2CCCC3)c1 97164362 ZOLJXTHJZYHTQX-UHFFFAOYSA-N 314.393 1.048 0 40 DDAB Cc1noc(C)c1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 97199014 SVVODOVTFRGRCH-NSHDSACASA-N 303.366 1.751 0 40 DDAB CCn1cc(C(=O)N(C)[C@H](CO)c2ccc(OC)cc2)cn1 97046421 ZZJRWXREYRRUQE-OAHLLOKOSA-N 303.362 1.717 0 40 DDAB Cc1cccc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 97163409 RHNMIIBOJBMIBS-UHFFFAOYSA-N 312.373 1.932 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C 95434642 COJADGMKOZRYQN-QLFBSQMISA-N 320.437 1.013 0 40 DDAB NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)cc1F 95432112 UKEIQJWVNXHFIY-CPCISQLKSA-N 308.325 1.510 0 40 DDAB Cc1nc(N2CCN(C(=O)c3csnn3)CC2)sc1C 95436400 VTPCAZSAZDMXNV-UHFFFAOYSA-N 309.420 1.574 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]2CCCC[C@H]21 74190057 QCWRGYSXLQVQAG-ZIAGYGMSSA-N 316.467 1.839 0 40 DDAB CC(=O)N1CCC(CNS(=O)(=O)c2ccc(C)s2)CC1 74860957 WCDBKDXFLKHNMB-UHFFFAOYSA-N 316.448 1.593 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C)Cc2cscn2)c(=O)[nH]1 75123576 LFSZXXMQZGVNKE-UHFFFAOYSA-N 306.391 1.790 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F 89941279 CIIOGAAYJPWCKF-WDEREUQCSA-N 316.373 1.822 0 40 DDAB CS(=O)(=O)CCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 110692516 AXJTWJPSEMMGSI-FZMZJTMJSA-N 319.373 1.507 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 32103649 MQXXAGCTJNDSQL-AGIUHOORSA-N 310.357 1.120 0 40 DDAB CC1(O)CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1 1551542743 MDHXBPDNRABJMQ-CHWSQXEVSA-N 321.343 1.085 0 40 DDAB COC[C@H](O)CN1CCN(C(=S)Nc2ccccc2)CC1 33757140 GILZTAJMXFZTRR-CQSZACIVSA-N 309.435 1.008 0 40 DDAB Cc1ccccc1OCCNC(=O)N1CC[C@H](CN(C)C)C1 129665011 QURVKQVDHWWLJP-OAHLLOKOSA-N 305.422 1.967 0 40 DDAB Cc1cc(N2CCC(O)CC2)n2nc(-c3nccn3C)cc2n1 72338479 UVMPPNMXQFXGRZ-UHFFFAOYSA-N 312.377 1.399 0 40 DDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccn1 78986801 DCRMGIRJKFEBEM-MRVPVSSYSA-N 321.686 1.628 0 40 DDAB O=C(Cn1ncc2cccn2c1=O)c1ccc2c(c1)OCCO2 72346573 RVYXGTMBHQMAIA-UHFFFAOYSA-N 311.297 1.150 0 40 DDAB Cc1ccc(N2C(=O)N[C@]3(O)C(=O)c4ccccc4[C@@]23O)cc1 39379193 AYOKDJXRGYCPJN-IRXDYDNUSA-N 310.309 1.255 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32611598 OHFCWBBMGWHZLP-CYBMUJFWSA-N 310.419 1.614 0 40 DDAB O=C(Nc1ccon1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655747 BULUIUOBSNFIEW-UHFFFAOYSA-N 307.256 1.664 0 40 DDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)nn1 567968887 DEAGZJJEDDKYBD-VXGBXAGGSA-N 322.365 1.099 0 40 DDAB Cc1cc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)n(C)n1 72238913 SZVWFZHRXJEXSR-UHFFFAOYSA-N 318.362 1.110 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)Cc2ccc(Cl)cc2)CCO1 72379575 FENKOLQOLFVLNZ-HNNXBMFYSA-N 310.781 1.246 0 40 DDAB Cc1coc2ccc(NC(=O)NCCN3C(=O)CNC3=O)cc12 187997563 PDHKMWCWWOOODV-UHFFFAOYSA-N 316.317 1.415 0 40 DDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC 218022872 VJIVNVRXMXWSGF-IPYPFGDCSA-N 311.403 1.095 0 40 DDAB C[C@@H](CCCN)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 567848564 MPXFBXBTLLHVCZ-NSHDSACASA-N 318.352 1.229 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](Cn2cc(C(=O)O)nn2)C1 72389543 QRALPKRZEYEDDV-JTQLQIEISA-N 310.354 1.623 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC(c3ccncc3)CC2)c1 72364470 YGZBYVIQYHZPLU-UHFFFAOYSA-N 306.391 1.383 0 40 DDAB COCCN1CCN(Cc2cnc3ccsc3c2)CC1=O 195555921 QZPOPRHOCSWMOH-UHFFFAOYSA-N 305.403 1.587 0 40 DDAB COc1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 339138942 RROUASXVSDWLIK-UHFFFAOYSA-N 311.349 1.083 0 40 DDAB CNC(=O)CN1Cc2cccn2-c2ccc(Cl)cc2C1=O 225378998 FLRZNDGEXCVTOM-UHFFFAOYSA-N 303.749 1.833 0 40 DDAB C[C@H]1CCCCN1c1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 222532409 WPDVTFSDIGVIQF-STQMWFEESA-N 301.390 1.904 0 40 DDAB CC(C)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223362449 VXDFNATZGGDCGO-CYBMUJFWSA-N 318.373 1.679 0 40 DDAB CC1(C)CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@@H]1[C@H]1CCCO1 573295821 MHIVNXKXHABSKP-BPLDGKMQSA-N 318.421 1.866 0 40 DDAB COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cccc(Cl)c1F 225483192 IGLXNMWQFPXGIF-WCQYABFASA-N 301.745 1.977 0 40 DDAB COC[C@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC(C)(C)O1 332643878 GTBHMAFTXOAKJH-QWHCGFSZSA-N 322.409 1.102 0 40 DDAB O=C(c1ccncc1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053757 ZMNSSYQOKAJHCG-IAGOWNOFSA-N 308.385 1.681 0 40 DDAB COc1c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c(C)nn1C 96459312 PVGFGBIZSSMYFB-INIZCTEOSA-N 321.377 1.584 0 40 DDAB CN(C)C(=O)N1CCN(Cc2cccnc2)c2ncccc2C1 96198955 FVWBNIOYRMAKCB-UHFFFAOYSA-N 311.389 1.980 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 96072655 GLGDVZQIQRDVMO-SWLSCSKDSA-N 323.418 1.219 0 40 DDAB CCOc1cc(C(=O)N2CCOCC2)nn1-c1ccccc1 96182490 LYFHEXTWISTOEK-UHFFFAOYSA-N 301.346 1.743 0 40 DDAB c1ccc(N2CCO[C@]3(CCCN(c4nncs4)C3)C2)nc1 96226608 QSVWDOZZGQDNTP-OAHLLOKOSA-N 317.418 1.809 0 40 DDAB O=C([C@@H]1CCOC1)N1CC2(CCN(Cc3ccsc3)C2)C1 96202764 BWYIHCZIFNYEEA-CQSZACIVSA-N 306.431 1.819 0 40 DDAB CC(=O)N1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1 96090402 GJUOOZVXNHJPAK-UHFFFAOYSA-N 308.357 1.081 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 248139153 PUTLHEDNOMOLJZ-HOTGVXAUSA-N 308.447 1.684 0 40 DDAB Cc1ccc(CN2CCN3C[C@@H](C(=O)O)CN(C)C[C@@H]3C2)cc1 247963393 GJBBABZNKMXDKN-DLBZAZTESA-N 317.433 1.127 0 40 DDAB COC(=O)[C@@H]1C(=O)[C@@H](C(=O)CC[C@H]2CCCO2)C(=O)CC1(C)C 247865045 XGEULGNSRGWTSS-SWHYSGLUSA-N 324.373 1.488 0 40 DDAB biogenic CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cccn1 257325458 WSZSVROAMDFGQN-QSJFSLAZSA-N 302.422 1.747 0 40 DDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)c3ccsc3)C[C@@H]2C[C@@]1(C)O 257296843 REOTYDSAXHOWSJ-DSJMHWKBSA-N 324.446 1.338 0 40 DDAB O=C(c1cc(O)nc(O)n1)N1CCC[C@H]1CCc1ccncc1 257293240 QOROOUSVYCMWML-LBPRGKRZSA-N 314.345 1.520 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257243630 IHVRREZNZHLTQF-CQSZACIVSA-N 300.362 1.266 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc3n2CCNC3)C1 257260847 LESCVSGBHAUVKG-LLVKDONJSA-N 307.398 1.496 0 40 DDAB Cc1n[nH]c(C)c1C(=O)NCc1nc(-c2cccnc2O)no1 253537689 JBAWBVCVXDKTDT-UHFFFAOYSA-N 314.305 1.107 0 40 DDAB Cc1oc2c(c1C(=O)N1C[C@@H]3OCC(=O)N(C)[C@H]3C1)CCCC2 257329313 XJIAQNAHJXNJAK-JSGCOSHPSA-N 318.373 1.148 0 40 DDAB CO[C@@H]1CCCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O 257325108 WRMVTGAOLBDYEO-RBSFLKMASA-N 313.419 1.592 0 40 DDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1cn(C)c3ccccc13)C2 585095004 YZSNRISKMZNHCD-LBPRGKRZSA-N 324.384 1.471 0 40 DDAB COc1ccc(C(=O)NCc2nc(C(N)=O)co2)c(C)c1OC 585113292 AHXXRAPMBDSUSA-UHFFFAOYSA-N 319.317 1.029 0 40 DDAB Cn1cc(CN2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)cn1 585292080 WSWKSGYVEQDOSV-XJKSGUPXSA-N 306.410 1.198 0 40 DDAB CC(C)CCC(=O)N1CCn2cc(C(=O)N(C)C)nc2[C@@H]1C 585096443 NVPLNEROMYGWBE-LBPRGKRZSA-N 306.410 1.924 0 40 DDAB Cc1nccc(N2CC[C@](O)(COc3cccc(F)c3)C2)n1 585274931 RTOWYXHDGZWBJL-MRXNPFEDSA-N 303.337 1.944 0 40 DDAB COCc1c(C(=O)N2CC[C@@]3(CCCO3)C(=O)C2)noc1C 585289150 MZYOLTUEWIKCMD-HNNXBMFYSA-N 308.334 1.094 0 40 DDAB C[C@@H](C(=O)NC(C)(C)C)N1CCCN(c2nccs2)CC1 58159817 RWGBCNPNNZQPHN-LBPRGKRZSA-N 310.467 1.958 0 40 DDAB O=C1OCC[C@H]1Sc1nnc(NC[C@H]2CCCO2)s1 65517392 GCAHJWQHJHPUCI-HTQZYQBOSA-N 301.393 1.537 0 40 DDAB CNc1ccc(C[C@H]2CCCN(C(=O)C3CCOCC3)C2)nn1 72387376 SYRCJFNIXWANBE-CYBMUJFWSA-N 318.421 1.726 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1Cl 888107149 ROYYCTJRDPCMFI-UHFFFAOYSA-N 312.782 1.486 0 40 DDAB CO[C@H]1CCN(C2CCOCC2)CC[C@@H]1CC(=O)N1CCCC1 1615160196 ZCYYZJHVTWNCMG-WBVHZDCISA-N 324.465 1.905 0 40 DDAB NC(=O)[C@]1(F)CCN(Cc2ccccc2Br)C1 1849339581 WQYAYZLTZDPVFS-LBPRGKRZSA-N 301.159 1.848 0 40 DDAB CC(C)(C)C(=O)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549166453 DMUVOQKVYAXZOS-UHFFFAOYSA-N 302.374 1.978 0 40 DDAB CN1C(=O)N(C)[C@@H]2CC(=O)c3c(ccc4c3ncn4C)N2C1=O 5580247 HLAASKYLQNCXOM-NSHDSACASA-N 313.317 1.409 0 40 DDAB CNC(=S)N(CCOC)Cc1cc(=O)[nH]c2ccccc12 13722924 BUJSHOHFRIGTOB-UHFFFAOYSA-N 305.403 1.481 0 40 DDAB CCOC(=O)CS[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 16899595 YTJSJYVMTHGBEZ-LBPRGKRZSA-N 307.371 1.923 0 40 DDAB CC(=O)c1ccc(OCCCC(=O)OCC(=O)NC2CC2)cc1 4337731 FQCPBLRBWQEKNL-UHFFFAOYSA-N 319.357 1.870 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nn1 1888844683 YZRCNOIXNJAIFC-HUUCEWRRSA-N 316.405 1.106 0 40 DDAB Cc1cc(OCC(=O)NCC(=O)Nc2c(C)cccc2C)no1 17856746 QGCWLZWPJCEBCG-UHFFFAOYSA-N 317.345 1.734 0 40 DDAB Cc1csc(CNC(=O)c2n[nH]c(=O)c3ccccc23)n1 21482205 XDOJZYCXPQAXBW-UHFFFAOYSA-N 300.343 1.618 0 40 DDAB O=C(NCc1ccccc1)[C@]1(O)CCN(Cc2ccccc2)C1 523686842 YLHOMXISUBCJFB-IBGZPJMESA-N 310.397 1.940 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4279996 BRUGUWUXSQSXJY-LBPRGKRZSA-N 314.769 1.748 0 40 DDAB CCS(=O)(=O)Nc1ccc(N2CCCCC2=O)c(OC)c1 5329898 FVYZONSUGSHRGH-UHFFFAOYSA-N 312.391 1.974 0 40 DDAB CCCC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8986831 INKAZXDNBBPYIR-NSHDSACASA-N 304.346 1.685 0 40 DDAB CC(C)N1CC[C@H]2OCC[C@@H](C(=O)NCc3cccnc3)[C@@H]2C1 2055719440 DTMOULDLEGKJCN-IXDOHACOSA-N 317.433 1.833 0 40 DDAB O=C(Cn1ccccc1=O)N1CC[C@@]2(COc3ccccc32)C1 2055730203 KYXCDYYWGMOZFQ-SFHVURJKSA-N 310.353 1.411 0 40 DDAB Cc1nc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)cs1 225800733 DWMSXIDHAJZODB-UHFFFAOYSA-N 317.330 1.120 0 40 DDAB Cn1cccc1[C@@H](O)CNC(=O)[C@H]1COc2ccccc2O1 75155055 ZDSWTOOTMJVTKF-SWLSCSKDSA-N 302.330 1.015 0 40 DDAB COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1OC 100794954 QUBCVHSGGWNCAA-JTQLQIEISA-N 317.341 1.897 0 40 DDAB biogenic O=C(/C=C/c1nc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1 31612007 RTJQKAQIHJRXOY-BRAIEQGRSA-N 306.343 1.144 0 40 DDAB Cc1cc(C(=O)NC[C@@H](C2CC2)N(C)C)c2c(C)nn(C)c2n1 40555211 IDQKHMDRZCRATQ-AWEZNQCLSA-N 315.421 1.655 0 40 DDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2)C1 20567742 VWMCNQSUWJCUEB-UHFFFAOYSA-N 300.362 1.511 0 40 DDAB Cc1cc(C)n(C(=O)CNC(=O)[C@@H]2COc3ccccc3O2)n1 286469 UTELGUOXRYQSRV-AWEZNQCLSA-N 315.329 1.096 0 40 DDAB CCCNC(=O)C[S@@](=O)Cc1cc(Cl)c2c(c1)OCO2 32765154 JMEPUSJSUYRZAZ-HXUWFJFHSA-N 317.794 1.844 0 40 DDAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 208109 FRZNYAUQCYFOCI-UHFFFAOYSA-N 314.363 1.276 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc2c1=O 2646734 YVFFSHWRWYWRGN-YPMHNXCESA-N 300.362 1.486 0 40 DDAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)n1C 32837698 AKHSCOOULVOPSJ-LLVKDONJSA-N 321.377 1.647 0 40 DDAB Nc1noc(CCNC(=O)C2(c3cccc(F)c3)CCCC2)n1 76042535 ANJPZRJPHAMRNQ-UHFFFAOYSA-N 318.352 1.962 0 40 DDAB CC(C)[C@H](CCO)NC(=O)Nc1ccccc1CC(=O)N(C)C 76070173 QKKWPDWRINIMBH-AWEZNQCLSA-N 321.421 1.846 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)n1 76045593 KCUVTZOTIFSZOU-ZIAGYGMSSA-N 314.345 1.017 0 40 DDAB O=C(CN1CC[C@H](Nc2ccccc2)C1)NC1CCOCC1 76758595 YGYIZMCXSMGVBF-INIZCTEOSA-N 303.406 1.468 0 40 DDAB CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CSC2 1591124 MUSHRJCTPWZZRK-UHFFFAOYSA-N 313.379 1.713 0 40 DDAB C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 78899018 WCIONPLTLWXKGF-UFBFGSQYSA-N 306.790 1.708 0 40 DDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1ccccn1 79358754 IXYAZJSFLIYSSO-CYBMUJFWSA-N 314.345 1.987 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 2623943 WRXSXCKOSMWBSS-UHFFFAOYSA-N 322.361 1.446 0 40 DDAB COc1ccc(S(=O)(=O)NCCC(=O)NCC(C)C)cc1 3020074 QSUHLJUQWGOZDP-UHFFFAOYSA-N 314.407 1.136 0 40 DDAB NC(=O)C1CCN(CCCCNC(=O)Nc2ccncc2)CC1 46763314 CNXMEWSDVFFLHG-UHFFFAOYSA-N 319.409 1.181 0 40 DDAB NS(=O)(=O)Cc1ccc(NC(=O)Cc2ccccc2F)cc1 32902281 DSZBEVKURZZSRV-UHFFFAOYSA-N 322.361 1.795 0 40 DDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN1CCN(C)CC1 2740154 KMYORJQPMJGBBI-GFCCVEGCSA-N 311.813 1.694 0 40 DDAB CCOCC(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 72278425 IGYROTXPCIWDHC-UHFFFAOYSA-N 304.268 1.840 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)no1 41814924 LSSQZCOIDWIIFB-SNVBAGLBSA-N 306.347 1.683 0 40 DDAB COCCc1noc(CNc2ccc(Cl)cc2C(N)=O)n1 103464401 VQZDDBQDVOFIPG-UHFFFAOYSA-N 310.741 1.623 0 40 DDAB CCCCC(=O)C[C@H](c1ccccc1)C1C(=O)NC(=O)NC1=O 105629245 JFJSLKKQWHMBTA-CYBMUJFWSA-N 316.357 1.902 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 23101840 AQHCNVLCTGVRMY-AWEZNQCLSA-N 312.325 1.488 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccsc1 42043220 ILKHWIOVZZJEDW-LBPRGKRZSA-N 316.448 1.221 0 40 DDAB COc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1C 54681494 QGDHHZYVFWZSIN-KRWDZBQOSA-N 309.325 1.998 0 40 DDAB C[C@@H](NC(=O)COn1nnc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 103052761 OCNKOKCBEKYTDS-AAVRWANBSA-N 314.389 1.801 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccc(O)nn1)c1ccc(C)cc1 24488009 NSDNFOMOBCNORQ-ZDUSSCGKSA-N 315.329 1.525 0 40 DDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1472298 YUBGCBIDDMVVOC-ZETCQYMHSA-N 309.796 1.887 0 40 DDAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 34863400 AFDVIDKDOGDGSP-LLVKDONJSA-N 309.797 1.831 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1c(F)cccc1Cl 44456491 JVMDSVFNTFUCLW-MRVPVSSYSA-N 305.758 1.644 0 40 DDAB Cc1cc(C)nc(NCCCN2C(=O)NC3(CCCC3)C2=O)n1 44711915 WITJMCMMWRIRQN-UHFFFAOYSA-N 317.393 1.760 0 40 DDAB O=C(CSc1ncnc2[nH]ncc12)NOc1ccccc1 27816406 DPDLYGWPOKVOTH-UHFFFAOYSA-N 301.331 1.555 0 40 DDAB O=C(NCc1ccccc1Cl)NC[C@H]1CCS(=O)(=O)C1 44910303 CUWZUYDVRBERDG-SNVBAGLBSA-N 316.810 1.574 0 40 DDAB CN(CC(=O)N1CCCC1)C(=O)Cc1cn(C)c2ccccc12 58393237 SJVQJTBQCDWKEK-UHFFFAOYSA-N 313.401 1.802 0 40 DDAB COc1c(CNC[C@@H](C(C)C)N2CCN(C)CC2)c(C)nn1C 58304932 IBBBHZNFDAARRI-INIZCTEOSA-N 323.485 1.099 0 40 DDAB O=C(CC1CCCCC1)N1CCN(CC(=O)N2CCCC2)CC1 36383426 OABDIEXUFDTOPP-UHFFFAOYSA-N 321.465 1.723 0 40 DDAB O=S(=O)(NCc1cccnc1)c1ccc(-n2cccn2)cc1 36359764 ROKXUHYDVLPEJA-UHFFFAOYSA-N 314.370 1.746 0 40 DDAB O=c1n(Cc2nc(-c3ccoc3)no2)nnn1-c1cccs1 69808533 MNNBGMVNPXTJPE-UHFFFAOYSA-N 316.302 1.182 0 40 DDAB Nc1nnc(SCCCn2c(=O)[nH]c3ccccc32)s1 3568097 JCYYMESRLYZTCG-UHFFFAOYSA-N 307.404 1.946 0 40 DDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(F)cc2)C1=O 3543433 KOEQZBJCTMBESF-UHFFFAOYSA-N 306.293 1.455 0 40 DDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13004971 MVWJKRHEWNZRHL-AWEZNQCLSA-N 318.354 1.128 0 40 DDAB O=C1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CCN1 93789560 QUAYPZUAFHLPTJ-INIZCTEOSA-N 304.390 1.566 0 40 DDAB CCN(Cc1cccc(Cl)c1)C(=O)CSCC(N)=O 49044593 JWBJZSRNLMAGPK-UHFFFAOYSA-N 300.811 1.907 0 40 DDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(C3CCCC3)C[C@@H]1C2 306124117 BGLXNENZIWKFAX-QWHCGFSZSA-N 317.437 1.463 0 40 DDAB CC(=O)N(C)C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 63813136 CXLQRFVLYGQUBG-UHFFFAOYSA-N 319.361 1.890 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)c1n[nH]c(=O)c2ccccc12 13598228 COHPYRNMYRVVST-UHFFFAOYSA-N 309.281 1.904 0 40 DDAB COCCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O 5016657 ULIXOYPKMHNZAO-AWEZNQCLSA-N 305.378 1.329 0 40 DDAB C[C@@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)N(C)C 65417458 FYJBVMWIDPQYEE-NWDGAFQWSA-N 318.421 1.882 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CNCCNC(=O)C1CC1 65475371 JXABOPFUXYUAQA-UHFFFAOYSA-N 307.442 1.225 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 14075761 CPIJZZSSVLMRDC-ZCFIWIBFSA-N 315.424 1.439 0 40 DDAB CC(C)NC(=O)CNC(=O)c1ccc(OCC(F)(F)F)nc1 14165606 OYRRGFHYQLCFJD-UHFFFAOYSA-N 319.283 1.277 0 40 DDAB COc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cn1 6587110 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69406800 ONLXKHMALICXDM-UHFFFAOYSA-N 320.784 1.065 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cn1C 22003145 RBPFGVLGZGHQER-SSDOTTSWSA-N 301.730 1.070 0 40 DDAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cn1 9447692 DKZBENBKWBILGU-GFCCVEGCSA-N 300.314 1.660 0 40 DDAB O=[S@](CCO)Cc1ccc(I)cc1 96495984 VDDWHNPXDNBLOS-ZDUSSCGKSA-N 310.156 1.532 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCc1ccccc1 96454859 ATPKIFJTJIOJKP-AWEZNQCLSA-N 310.419 1.159 0 40 DDAB Cc1ccc2ncc(C(=O)N3CCO[C@@H]4CCC[C@H]43)c(=O)n2c1 71823512 WAYAHLIKOVSWPA-ZIAGYGMSSA-N 313.357 1.396 0 40 DDAB O=C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CCN1 71839484 ZDCMNMLQVYDWNJ-UHFFFAOYSA-N 310.781 1.848 0 40 DDAB Cc1cc(C)cc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)c1 71884453 ZPMQUZWHLSYVJK-AWEZNQCLSA-N 324.446 1.211 0 40 DDAB COCCn1nc(C(=O)N(C2CC2)[C@H](C)C(C)C)ccc1=O 71844020 TVNXYEJCXAMLFZ-GFCCVEGCSA-N 307.394 1.539 0 40 DDAB CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@@H]2CCCCN2C1 72310136 NLXXAJZFVOKYJU-CABCVRRESA-N 309.454 1.626 0 40 DDAB COc1ccccc1COC[C@H](O)CN1CCn2ccnc2C1 97201096 KZHYXONKTIKSAS-OAHLLOKOSA-N 317.389 1.285 0 40 DDAB CCCN(C)CC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 97001825 ADZCOYOPZMUYEX-CYBMUJFWSA-N 323.824 1.903 0 40 DDAB OCCN(CCO)c1cnc2cc(Cl)c(Cl)cc2n1 97082562 KCLLUPODFVCBHG-UHFFFAOYSA-N 302.161 1.728 0 40 DDAB COc1cc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)cc2c1OCO2 84714772 DSIWGLHMMJVPSD-RISCZKNCSA-N 320.389 1.770 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CC=C(c2ccccc2)C1 95467177 POFZJIPYFKLNMG-UHFFFAOYSA-N 309.373 1.833 0 40 DDAB CCO[C@@H]1C[C@H](N(C)CC(=O)NCc2cccnc2)C1(C)C 84800694 OQOHIHOGMSFCCE-LSDHHAIUSA-N 305.422 1.833 0 40 DDAB Cn1cc(N2CCN(Cc3ccc4ccccc4n3)CC2=O)cn1 98018843 XVGUDXUAPNYVMH-UHFFFAOYSA-N 321.384 1.817 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 74101765 BFWLJTMAIUOLER-LBPRGKRZSA-N 316.810 1.162 0 40 DDAB COC(=O)[C@@H]1CCN(C(=O)CCc2nc(-c3ccco3)no2)C1 95954027 MAVAFLHRQPONNW-SNVBAGLBSA-N 319.317 1.284 0 40 DDAB Cn1cc(CCNc2cc(C(F)(F)F)nc3ncnn23)cn1 95954492 DBJVMQWZOPDDKI-UHFFFAOYSA-N 311.271 1.531 0 40 DDAB CN(CC(N)=O)C(=O)CCc1ncc(-c2ccccc2F)o1 89335356 GMSCZYREKZDIPK-UHFFFAOYSA-N 305.309 1.357 0 40 DDAB CS(=O)(=O)N1CCCc2cc(C(=O)Nn3cccc3)ccc21 75107533 IXMYLIGTTIXIEO-UHFFFAOYSA-N 319.386 1.584 0 40 DDAB Cc1ccc(C(=O)NCCCn2cnc3ccccc32)c(=O)[nH]1 75118980 VOULGVCBMMBKPJ-UHFFFAOYSA-N 310.357 1.853 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccn1Cc1ccccc1 75572276 ZDPPGFJQAGVGGZ-CQSZACIVSA-N 318.398 1.453 0 40 DDAB Cc1cc(Br)cn2c(CN3CCNCC3)cnc12 36291667 MXEQMAFPUWHPHK-UHFFFAOYSA-N 309.211 1.810 0 40 DDAB COCCCNC(=O)c1nc([C@@H]2CCCN2C)n2ccccc12 306144798 ZOUIMIRWWPFWFN-AWEZNQCLSA-N 316.405 1.867 0 40 DDAB Cc1noc([C@H]2CN(S(=O)(=O)CC(C)(C)C)CCN2C)n1 408027201 JLZJDNHROAWINI-LLVKDONJSA-N 316.427 1.042 0 40 DDAB COCCN1CCC[C@H]1c1nccnc1Nc1cnccn1 72363492 SCNNVCNMMJLZLF-LBPRGKRZSA-N 300.366 1.794 0 40 DDAB CN1CCC[C@H]1c1ccnc(C(=O)NCCN2CCCC2=O)c1 72387196 GCGSLPWMWYEITQ-HNNXBMFYSA-N 316.405 1.201 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccccn2)c2nonc12 32579213 XNAUNBRGSPHMPO-UHFFFAOYSA-N 320.330 1.105 0 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LDINCGASBCZTCF-ZDUSSCGKSA-N 304.398 1.550 0 40 DDAB O=C(Cc1ccn(CC(F)(F)F)n1)N[C@]12CCC[C@@H]1NCC2 1580573351 HXZXWGRODYOYKG-AAEUAGOBSA-N 316.327 1.389 0 40 DDAB CC1(C)CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@H]1[C@@H]1CCCO1 573295822 MHIVNXKXHABSKP-SNPRPXQTSA-N 318.421 1.866 0 40 DDAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C(F)(F)F 225586629 HUNKWRYRWKKSJQ-UHFFFAOYSA-N 318.295 1.898 0 40 DDAB Cc1ccccc1-n1ncc(C(=O)OCCCC(N)=O)c1C 83771608 XDHQTVQAAJVXAK-UHFFFAOYSA-N 301.346 1.911 0 40 DDAB CCCCNC(=O)Cn1cc(COc2ccccc2F)nn1 227168035 LUAHGVDXVIVDHF-UHFFFAOYSA-N 306.341 1.913 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 96100366 CMXNUFNXZMUKME-ARFHVFGLSA-N 303.406 1.586 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)Nc1cc(C(=O)OC)c2cc[nH]c2c1 517199667 FKIDZVGNEVMIGH-MRVPVSSYSA-N 318.333 1.211 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(c3ccncn3)C[C@H]2O1)N1CCCC1 96042933 SBQRVKSGEJRNIP-MELADBBJSA-N 302.378 1.083 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C[C@H](O)c1cccc(OC)c1 96406571 WUPTXICNTWNRHX-HNNXBMFYSA-N 308.422 1.965 0 40 DDAB C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3nccs3)ncn2)C1 334020084 CNAQJWMQDYMXJG-RYUDHWBXSA-N 319.434 1.777 0 40 DDAB Cn1ccnc1N1CCN(C(=O)[C@H]2COc3ccccc32)CC1 96436887 IMXUNPREOLKXCB-AWEZNQCLSA-N 312.373 1.245 0 40 DDAB COC(=O)CNC(=O)CSc1nccn1-c1ccccc1C 10883061 OMCHULCVIIDSAZ-UHFFFAOYSA-N 319.386 1.562 0 40 DDAB CN(C)S(=O)(=O)NC[C@@H](O)c1cc2ccccc2s1 96483581 YSIPNJKECOBCIP-SNVBAGLBSA-N 300.405 1.331 0 40 DDAB COCCN1CC2(CCN(CCc3ccccc3)CC2)C1=O 96202850 MXTKLFGAVWQMIA-UHFFFAOYSA-N 302.418 1.800 0 40 DDAB Cn1cc(C(=O)N(CCC(=O)O)Cc2cccc(F)c2F)cn1 96480128 BFKKOJIPHQYXCS-UHFFFAOYSA-N 323.299 1.815 0 40 DDAB CC(C)N1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 96065584 IJSPDESFNIAIRE-HRCADAONSA-N 303.406 1.443 0 40 DDAB CC(C)N1Cc2ccnn2[C@@H](CCNC(=O)c2cccn2C)C1 248122841 KOXHJBWHNFGYNM-AWEZNQCLSA-N 315.421 1.807 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)n1 257308259 TWCIIAMWDMWMRG-ZDUSSCGKSA-N 300.318 1.099 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2ccccc2C(F)(F)F)CCO1 257336813 YQDKFKVXCJRKJS-CYBMUJFWSA-N 316.279 1.422 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@H](c3[nH]ncc3C)C2)CC1 257259233 KXKUSHZQFXWCHB-HNNXBMFYSA-N 320.437 1.271 0 40 DDAB COCC[C@H](CO)NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 252488882 JBELXUMXHLYKDA-RDBSUJKOSA-N 310.398 1.063 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2ccc(C)n2)n1 257237727 HHWUDBDSEOYKSX-CYBMUJFWSA-N 303.366 1.213 0 40 DDAB COc1ccccc1[C@H]1CN(Cc2c[nH]cn2)CCN1C(C)=O 257204456 AURUARNOPJFRHL-MRXNPFEDSA-N 314.389 1.824 0 40 DDAB CC(C)CS(=O)(=O)C1CN(C(=O)CSC2CCCC2)C1 96122016 BQVJCNMCAHMQIM-UHFFFAOYSA-N 319.492 1.944 0 40 DDAB Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)N(C)C)C2)no1 585099165 QWBFCJGOEJOFGQ-AWEZNQCLSA-N 316.405 1.895 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2cc(C(C)C)on2)C[C@@H]1OC 585277021 JHBMAOSRQGVLCA-GWCFXTLKSA-N 309.366 1.021 0 40 DDAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)O1 585285939 UPFKXBZHIBGCFZ-JYJNAYRXSA-N 318.417 1.821 0 40 DDAB CCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 53095127 ITMUMWKOABYRSS-CYBMUJFWSA-N 319.405 1.455 0 40 DDAB CCN1C[C@@H](C(=O)Nc2cc(F)ccc2OCCOC)CC1=O 66431939 OQESFZOPNLUZAE-NSHDSACASA-N 324.352 1.658 0 40 DDAB CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1CSCCS1 75108726 HUDUPMCJEJRZQU-SNVBAGLBSA-N 304.481 1.504 0 40 DDAB CCOc1cccc(CNc2cnn(CC(=O)NCCO)c2)c1 95455342 GJNUWFUDGJQIIN-UHFFFAOYSA-N 318.377 1.002 0 40 DDAB CO[C@H]1[C@H](CNC(=O)CCc2ccccc2)COC[C@H]1OC 1615127799 FIJJZXBLNUCZQE-INMHGKMJSA-N 307.390 1.412 0 40 DDAB COc1ccc(OC)c([C@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)c1 5066936 KZBHVOAPLYGIMA-DGCLKSJQSA-N 303.318 1.115 0 40 DDAB COC(=O)c1ccc(COC(=O)N2C=CC[C@H]2C(=O)O)cc1 5957007 ZQPHGQICLWNNSD-LBPRGKRZSA-N 305.286 1.782 0 40 DDAB Cc1cnc(C(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)cn1 12145035 DLSNTLCARJYNAE-HNNXBMFYSA-N 324.388 1.984 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 153358557 BFVDPUSLUBPVQB-GOEBONIOSA-N 310.463 1.879 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3snnc3C)C2)nn1 225424523 FYQJQLMJCRJUHK-SNVBAGLBSA-N 305.363 1.238 0 40 DDAB O=C([C@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCCC1 1889108459 OISIWILKKMQEIJ-OAHLLOKOSA-N 305.378 1.375 0 40 DDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2 1565544355 IVIVSDLUUMTZKC-UHFFFAOYSA-N 311.401 1.034 0 40 DDAB O=C(c1ccc2n1CCN(C(=O)C1(F)CC1)CC2)N1CCCC1 1565545972 SWAYTRGDULNVFJ-UHFFFAOYSA-N 319.380 1.611 0 40 DDAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)no1 12229482 HUVZFVYFBMJXKS-UHFFFAOYSA-N 320.374 1.384 0 40 DDAB C[C@@H](Cc1cccs1)N(C)c1ncc(S(N)(=O)=O)s1 95429675 QBVVTSPCLVOGAG-QMMMGPOBSA-N 317.461 1.919 0 40 DDAB Cc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1 148708 SWSVKXVWATZWAW-UHFFFAOYSA-N 308.403 1.526 0 40 DDAB CC(C)(C)c1noc(CCCC(=O)N[C@@H]2CCCCNC2=O)n1 40522095 UBAIWUBURCUJTJ-LLVKDONJSA-N 322.409 1.475 0 40 DDAB COc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCCNC2=O)cc1 40521838 GDPYRBJGTMWYFC-BXUZGUMPSA-N 306.362 1.247 0 40 DDAB C[C@@H](NC(=O)Cn1cnnn1)c1ccc(OC(F)(F)F)cc1 40509457 BSKVTAROSZHXPD-MRVPVSSYSA-N 315.255 1.449 0 40 DDAB CCN(CC)CC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 51589527 GLIZTTSVXBJYKY-OAHLLOKOSA-N 323.437 1.419 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NC[C@@H]1CCCO1 32124367 LAYFBHVJECGSIG-GWCFXTLKSA-N 317.345 1.072 0 40 DDAB biogenic CN(C)c1ccc(-c2noc(C(=O)NC(C)(C)CO)n2)cc1 20728063 XRDXGUPNFIBJFO-UHFFFAOYSA-N 304.350 1.303 0 40 DDAB Cc1cc(C)n(CNc2nonc2NCn2nc(C)cc2C)n1 32252409 WYFOXNBPKYDOBY-UHFFFAOYSA-N 316.369 1.835 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1 32770962 CKFGSWFOGDHBAJ-BQYQJAHWSA-N 308.403 1.240 0 40 DDAB CONC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32795807 VCLPLGXYJOXTGM-QMMMGPOBSA-N 313.151 1.480 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cccnc2=O)c1 32712987 WRJHYEQOWBOTTF-LLVKDONJSA-N 317.345 1.138 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccoc3)cn2)CCO1 46718752 ITNTVGIJBJGUDF-LBPRGKRZSA-N 301.346 1.830 0 40 DDAB CN1C[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1=O 76044591 NSNWVUJHPHWHPU-QWRGUYRKSA-N 304.350 1.089 0 40 DDAB CN(C)C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)o1 1378627 COYHHJMAGVRMRC-UHFFFAOYSA-N 321.358 1.569 0 40 DDAB CCN1CCN(C[C@@H](C)CNC(=O)N2CCCCCC2)CC1 78953166 YIDSQXOSUYPOOQ-INIZCTEOSA-N 310.486 1.846 0 40 DDAB C[C@H]1CN=C(N2CCN(CCOCC(F)(F)F)CC2)S1 79496674 LVZNJLPTXQXRAL-JTQLQIEISA-N 311.373 1.674 0 40 DDAB COc1cc(C(=O)NCc2ccnn2C)ccc1OC(F)F 2796265 UWWZMQHPWAKKII-UHFFFAOYSA-N 311.288 1.960 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)o1 52603392 MWKSFLBWJYPADI-NSHDSACASA-N 314.407 1.038 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C)O[C@H](C)C1 32975461 ZVSVPSFTEXGFSA-CHWSQXEVSA-N 320.389 1.451 0 40 DDAB Cc1c(Br)cnn1CC(=O)N[C@H](C)[C@H]1CCCO1 2779206 QENDJNJPKQOGLG-LDYMZIIASA-N 316.199 1.638 0 40 DDAB CC(=O)Nc1c2c(nn1-c1ccc(C)c(C)c1)CS(=O)(=O)C2 4088666 SZHWVCOJLKLYFY-UHFFFAOYSA-N 319.386 1.876 0 40 DDAB CCCn1nnnc1COC(=O)c1cc(Cl)c2c(c1)OCO2 7469290 YNEMRETWPCZWAL-UHFFFAOYSA-N 324.724 1.822 0 40 DDAB NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl 8181083 PBJSZPBJCGBELF-UHFFFAOYSA-N 302.783 1.614 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 54230739 AQUXXMKFQMERGF-UHFFFAOYSA-N 324.789 1.939 0 40 DDAB COc1ccc(CNC(=O)C(=O)NCc2cccs2)cc1 9913949 DNCGIFZWCOGXGL-UHFFFAOYSA-N 304.371 1.689 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NCC[C@@H]1CCCO1 23875964 YHLUOLMYIMZELK-LBPRGKRZSA-N 301.346 1.082 0 40 DDAB CC(C)CNC(=O)NC(=O)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106024322 XXOSVZJSDVNHBI-RWMBFGLXSA-N 310.394 1.838 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)[C@H]3C[C@@H]3c3ccccc3)c12 57279820 PFRFSJMZDWSWFG-CABCVRRESA-N 323.400 1.998 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc12 56195682 GPGFWHKEUIKSGU-UONOGXRCSA-N 300.362 1.670 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cc2ccc(OC)cc2nc1C 25681411 NSLSDXDOJQTHBF-NSHDSACASA-N 315.373 1.806 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 107505601 NKMPXKHNXDWAPU-SUYBPPKGSA-N 316.405 1.795 0 40 DDAB CCOc1cccc(NC(=O)NCc2nnc3n2CCC3)c1 48119024 QSZFYVRHMVRMKW-UHFFFAOYSA-N 301.350 1.945 0 40 DDAB O=C(COc1ccccc1)OCC(=O)c1ccc(O)cc1O 3333120 YZQOAWSRSQAQMV-UHFFFAOYSA-N 302.282 1.903 0 40 DDAB C[C@H]1C[C@H]1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12772943 VOMGFTWDOAYAFW-XJKSGUPXSA-N 315.417 1.862 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)c1cccnc1O 10235409 UWUNLULRCLKTAM-UHFFFAOYSA-N 308.341 1.962 0 40 DDAB C[C@H](c1cccc2ccccc12)N1CCN(S(N)(=O)=O)CC1 58210843 SQNUCXPQVZCZKG-CYBMUJFWSA-N 319.430 1.722 0 40 DDAB CCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1 58289737 UZJUBEFWPITWEY-UHFFFAOYSA-N 305.382 1.200 0 40 DDAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)NCc1ccco1 58293294 VWVYKPRQRHWZNR-ABAIWWIYSA-N 314.341 1.404 0 40 DDAB O=S(=O)(N[C@H]1CCN2CCCC[C@H]12)c1cc(F)cc(F)c1 44937586 PLAIBUFOPPJACU-UONOGXRCSA-N 316.373 1.870 0 40 DDAB CN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2ccccc21 12760132 DZZGCTXBAMZQLR-UHFFFAOYSA-N 309.369 1.999 0 40 DDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N(C)Cc1ccccc1 11233217 OPRPVMQNFGZEQG-VIFPVBQESA-N 318.406 1.175 0 40 DDAB CC(=O)c1cc(C(=O)O[C@H](C)C(=O)NC2CCCC2)n(C)c1 8414782 VTVYQVUBWAGQKV-LLVKDONJSA-N 306.362 1.832 0 40 DDAB COc1ccccc1[C@@H](O)CNCc1c(C)nn(C)c1OC 69517809 PQXBEANETMHXIP-AWEZNQCLSA-N 305.378 1.569 0 40 DDAB Cc1ccc2c(CC(=O)N3CCn4c(C)nnc4C3)c[nH]c2c1 69528913 UGDUDYGBHVNTEW-UHFFFAOYSA-N 309.373 1.961 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCCC[C@@H]1Cn1cncn1 69667804 BXIOUSVXZZJSLM-HUUCEWRRSA-N 317.368 1.498 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H]1Oc3ccccc3O[C@H]1C)C2 69631034 CEEKTVPRYLLASB-BONVTDFDSA-N 314.345 1.157 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2cccc3[nH]ncc23)CC1 69923064 RWNRHVFBMDNZOQ-UHFFFAOYSA-N 302.378 1.092 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nc(-c3ccsc3)no1)CC2 69952228 KGIOLAQOAONLPP-LLVKDONJSA-N 316.390 1.803 0 40 DDAB C[C@H]1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1 4275462 GVZPXLRJSGCMBS-QMMMGPOBSA-N 322.386 1.799 0 40 DDAB COc1ccc(OC)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1 4296080 XBMCMLVGAYZFJU-UHFFFAOYSA-N 315.329 1.045 0 40 DDAB Cc1cc(C)n(C2CN(CCS(=O)(=O)c3ccccc3)C2)n1 69899715 IRHMFEBRJBONGA-UHFFFAOYSA-N 319.430 1.831 0 40 DDAB O=C(CNC(=O)c1ccc(Br)o1)NC1CCCC1 14240104 OABSWWKBWDCUKQ-UHFFFAOYSA-N 315.167 1.831 0 40 DDAB NC(=O)c1cc(NC(=O)Cc2cccc(F)c2)cc(C(N)=O)c1 6627033 AVODQKFZTFXXDZ-UHFFFAOYSA-N 315.304 1.205 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)[C@@H](C)C(F)(F)F 96003802 RBKFGGDKUCRATO-QMMMGPOBSA-N 304.334 1.067 0 40 DDAB O=C(NCCN1CCC[C@H](CO)C1)c1ccc2scnc2c1 67850932 UICAKGDNCHOBBB-LBPRGKRZSA-N 319.430 1.730 0 40 DDAB Cc1nnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)s1 7814260 JGMXSOVKCUFRNH-UHFFFAOYSA-N 311.388 1.643 0 40 DDAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)N1CCNC1=O 7868937 RFMCVDWJPGQAQD-SNVBAGLBSA-N 322.386 1.880 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2noc(C)n2)C1 84259254 MRQLYNLJAIXGDP-ZDUSSCGKSA-N 319.365 1.297 0 40 DDAB O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cnccn1 96473312 QNTGAWDVDUWFCA-UHFFFAOYSA-N 312.251 1.699 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)/C=C/c3cccnc3)CC2)S1 96426942 QWQAUGXRZVBDQM-MUBLQREKSA-N 316.430 1.730 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2ccccc2c(=O)[nH]1 71830208 HXMIYOSXRFEONR-CMPLNLGQSA-N 313.357 1.254 0 40 DDAB CN1C[C@@H](NS(=O)(=O)c2ccccc2C(F)(F)F)CC1=O 83877423 SKTITALDMNIZBS-QMMMGPOBSA-N 322.308 1.214 0 40 DDAB Cn1c(CNC(=O)c2cc3c([nH]c2=O)CCC3)nc2ccccc21 84314057 GXMSQBFHUGMWML-UHFFFAOYSA-N 322.368 1.680 0 40 DDAB Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(O)cc3F)C2)cn1 97046105 PXDNKTQKAFSUFA-NSHDSACASA-N 303.337 1.970 0 40 DDAB CC[C@@H](OC1CCCC1)C(=O)NCc1c(C)c(C)n[nH]c1=O 95396511 JLLXVIHUQOQHLY-CQSZACIVSA-N 307.394 1.741 0 40 DDAB COCCn1cc(NC(=O)CC[C@@H]2CCCCO2)ccc1=O 95394666 HMGAKRPICRHOIX-AWEZNQCLSA-N 308.378 1.783 0 40 DDAB CC(C)c1cnc(CN(C)[C@H]2CCN([C@@H]3CCOC3=O)C2)o1 84630699 RLUKKBSYXVFXDK-QWHCGFSZSA-N 307.394 1.620 0 40 DDAB C[C@@H]1CN=C(N2CCN(Cc3nnsc3Cl)CC2)S1 84715275 SJPGDXCIPNKGJA-MRVPVSSYSA-N 317.871 1.800 0 40 DDAB Cc1nc(N2CCN(C(=O)NCc3cc[nH]n3)CC2)sc1C 95436309 SZGNSAXRLWVDRV-UHFFFAOYSA-N 320.422 1.515 0 40 DDAB Cc1ccc2c(O)c(C(=O)N[C@@H](C)c3cnn(C)c3)cnc2n1 95449790 DJRZTHAZPMPJMT-JTQLQIEISA-N 311.345 1.868 0 40 DDAB CCC(C)(C)NC(=O)CN1CCC[C@H]1C(=O)Nc1nccs1 74314625 WSRGUAROOVYYBQ-NSHDSACASA-N 324.450 1.851 0 40 DDAB CN(CC(=O)N1C[C@H]2CCC[C@H]2C1)c1ncnc2[nH]cnc12 89335375 VIWUUQYIIQHRQC-PHIMTYICSA-N 300.366 1.048 0 40 DDAB COCCC1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCC1 89410102 YSRNVYBRNZRGJI-HNNXBMFYSA-N 309.454 1.977 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 75130936 SFDXXUGRKSNMDQ-LBPRGKRZSA-N 317.393 1.217 0 40 DDAB Cc1ccccc1-c1csc(NC(=O)[C@@H]2CNC(=O)N2)n1 89696885 WZDOFMKOIOPNCG-JTQLQIEISA-N 302.359 1.738 0 40 DDAB O=C(Nn1cc(Br)cn1)c1cnn2cccnc12 89884866 XFOJEBYKWWWGAA-UHFFFAOYSA-N 307.111 1.072 0 40 DDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H]1CCN(CC2CC2)C1 89917435 KUMLBHWFNYVVIN-TUVASFSCSA-N 307.438 1.583 0 40 DDAB CNC(=O)CN1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 89913610 ALOKBYQNMJVLOG-LBPRGKRZSA-N 323.441 1.182 0 40 DDAB Cc1cc(CN2C[C@H]3OC[C@H](CN4CCCCC4)[C@H]3C2)n(C)n1 306141361 VTCIBNUKHOFSCA-CGTJXYLNSA-N 318.465 1.661 0 40 DDAB COc1cc(OC2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C 554613395 GFUDDAPSXYTGLZ-IINYFYTJSA-N 318.373 1.633 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2C2CC2)C1 555709548 GZXQVXPFUZMQEB-QNWHQSFQSA-N 300.424 1.440 0 40 DDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)s1 66561816 BWADFSKKYSPZMI-VIFPVBQESA-N 302.783 1.265 0 40 DDAB Cn1nc(C2CC2)cc1CNC(=O)N1C[C@H](N)C2(CCC2)C1 1551477072 KTABUHOPENVQHP-AWEZNQCLSA-N 303.410 1.320 0 40 DDAB CO[C@H](C(=O)N1CCC(O)(Cc2ccncc2)CC1)C1CC1 515485926 LGPZFFIYNDUDAU-HNNXBMFYSA-N 304.390 1.403 0 40 DDAB COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@]1(C)C(=O)O 530207827 RLAAEQVGBWUVBW-YVEFUNNKSA-N 320.389 1.812 0 40 DDAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CC(N)=O)C1 72385015 NPTOTDJPFYFFBY-JTQLQIEISA-N 317.414 1.536 0 40 DDAB O=C(O)c1cnc(CN2CCN(Cc3ccccc3)CC2)nc1 217343729 ASHUQLYXXGHTKA-UHFFFAOYSA-N 312.373 1.493 0 40 DDAB C[C@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)CN1CCOCC1 74372348 HTCIZAMJQSEBPJ-OAGGEKHMSA-N 307.438 1.562 0 40 DDAB Cc1ccn(CCNc2cc(C3CCNCC3)nc(C)n2)n1 72365332 DNJHEJBEFPZIBH-UHFFFAOYSA-N 300.410 1.869 0 40 DDAB CN(C(=O)CN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392854 GRZDHQVUMDTAHC-CQSZACIVSA-N 305.378 1.205 0 40 DDAB Cc1nnc(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)s1 72400347 WCQRHJOZZNRZNJ-UHFFFAOYSA-N 324.757 1.217 0 40 DDAB CCOC(=O)CCCn1cc(I)cn1 72339401 DGFCVTFENXPLGE-UHFFFAOYSA-N 308.119 1.831 0 40 DDAB O=c1n(C2CC2)nnn1C1CCN(Cc2ccccc2F)CC1 72335773 UMTGVBIHBXZTDI-UHFFFAOYSA-N 317.368 1.751 0 40 DDAB COc1cc(CCC(=O)Nc2nnc([C@H]3CCCO3)s2)on1 79476152 MIWTYEUHHSOGAZ-SECBINFHSA-N 324.362 1.958 0 40 DDAB C[C@H](C(=O)N(C)CCN1CCCC1=O)[C@@H](N)c1ccccc1 225472693 QFFYZXBAZOMKAF-XJKSGUPXSA-N 303.406 1.403 0 40 DDAB C[C@@H](SCc1ccccc1)C(=O)NCCN1CCOCC1 44268651 DALGQPJYNAHSMJ-CQSZACIVSA-N 308.447 1.757 0 40 DDAB CN1CCO[C@H](C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)C1 195560229 CPHSIFSJSJHWNX-CABCVRRESA-N 308.353 1.136 0 40 DDAB CCc1nc(CNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)n[nH]1 529431693 HFWBHSJSYQHFED-GFCCVEGCSA-N 317.393 1.677 0 40 DDAB O=S(=O)(c1ccccc1Br)C1CCNCC1 83252339 RNVZCPUPFIJEPW-UHFFFAOYSA-N 304.209 1.975 0 40 DDAB O=C([C@H]1CCCO1)N1CCn2cc(CN3CCCC3)nc2C1 96067969 YLBFXWSYYNUFFT-CQSZACIVSA-N 304.394 1.000 0 40 DDAB CCOCCN1C[C@H]2OC[C@H](C(=O)Nc3cccnc3)[C@H]2C1 96219569 UQNMKCYJDVJEAW-QLFBSQMISA-N 305.378 1.003 0 40 DDAB CN(Cc1ccc([S@@](C)=O)cc1)c1ncnc2[nH]cnc12 96453927 RXQWWZKAPAPYSZ-NRFANRHFSA-N 301.375 1.727 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C12CCC2 96423417 FNOBHHWYEPBWLG-ZIAGYGMSSA-N 315.373 1.934 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCC[C@H]2C[C@H](C)O)c1 96487120 JMGCJBMCZZRPFZ-ZFWWWQNUSA-N 304.390 1.487 0 40 DDAB Cc1ccc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)o1 96056250 UYMAEWZZOLAKMI-RYQLBKOJSA-N 320.433 1.757 0 40 DDAB O=C(Cc1cccc(Cl)c1)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238811834 AMMQWIUXKRBAJK-CYBMUJFWSA-N 317.776 1.640 0 40 DDAB CNC(=O)CCOC(=O)c1cnn(-c2ccccc2F)c1C 96452527 CAABDBFONLGOGM-UHFFFAOYSA-N 305.309 1.613 0 40 DDAB O=C(C1CCOCC1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 96053646 PEEYCYLMPBNRHS-GOEBONIOSA-N 314.385 1.534 0 40 DDAB COC(=O)[C@@H]1CCC[C@H]1C(=O)N1CCC(c2cnn(C)c2)CC1 97233549 MDWHICRMUNPDJU-HUUCEWRRSA-N 319.405 1.715 0 40 DDAB CN(C)C(=O)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96217815 PETDMMPZDQXXBV-CZUORRHYSA-N 319.409 1.584 0 40 DDAB Cn1cc(CNC(=O)N2CCC[C@@H](O)C2)c(-c2ccccc2)n1 96501407 UWIUIHBNPHDIOU-OAHLLOKOSA-N 314.389 1.753 0 40 DDAB CN(C)CC(=O)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107377 KJCZYSURIOBNCG-PBHICJAKSA-N 319.405 1.172 0 40 DDAB C[C@@H](NC(=O)[C@H]1COCCO1)c1cccc(-n2cccn2)c1 96443793 OLAIGFGKMYJGRJ-IUODEOHRSA-N 301.346 1.465 0 40 DDAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(C)n1)C2 248125713 LQJZJVRTDKONLO-OAHLLOKOSA-N 317.433 1.963 0 40 DDAB CCCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 243443589 NDFBBXSKCPTVRG-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc3oc(C)cc3c2)CCO1 257321585 WCGIHRNNKKACHB-QGZVFWFLSA-N 316.357 1.718 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cnccn2)CC1 257227450 FPIUFOMAGKOPBB-OAHLLOKOSA-N 302.378 1.194 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ccnnc3)CCO2)n1 257283948 PAPHYAKYCUUYHA-AWEZNQCLSA-N 313.361 1.151 0 40 DDAB CC(=O)NCCN(Cc1ccc(C)s1)S(=O)(=O)C1CC1 252493624 NEUIWLKUACKHBF-UHFFFAOYSA-N 316.448 1.487 0 40 DDAB CN1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C(N)=O)C1 257312979 UQMIGZUITMKJRW-GFCCVEGCSA-N 315.339 1.554 0 40 DDAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257331683 XTUPZQUFPVHVGN-LLVKDONJSA-N 323.356 1.584 0 40 DDAB O=C(Cc1ccccc1F)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257301082 RWXLIFCDJBLEFX-BFYDXBDKSA-N 306.381 1.472 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H]1c1cc(N(C)C)nc(C)n1 257343353 ZSOGSQWKLFBKKD-ZDUSSCGKSA-N 312.439 1.728 0 40 DDAB O=C(c1cccnn1)N1CCCC[C@H]1c1ccn2ccnc2n1 257275409 NPHIYXDQHRXDHF-AWEZNQCLSA-N 308.345 1.887 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)C3CCOCC3)CCO2)n1 257308971 TYYUMUKCZOEUPB-HNNXBMFYSA-N 319.405 1.474 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc2[nH]ccc12 257223044 DVQPXPWFHSHDSO-SFHVURJKSA-N 321.384 1.935 0 40 DDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2cnccn2)n1 257243048 IFHAWFISRSYYIX-CQSZACIVSA-N 312.377 1.306 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N1CCO[C@H](C(=O)O)C1 43701128 HTXRUWFHANKTDG-LBPRGKRZSA-N 313.737 1.203 0 40 DDAB Cc1cnc(C(=O)N2CC(F)(F)C[C@@]3(CCN(C)C3=O)C2)cn1 585093345 QJCDSTNMBGFPCV-AWEZNQCLSA-N 324.331 1.115 0 40 DDAB COC(=O)C[C@H]1Cc2ccccc2N1C(=O)Cc1cncn1C 585141205 QZXLYFQBWWWGMX-CYBMUJFWSA-N 313.357 1.484 0 40 DDAB C[C@H](OC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)NC(N)=O 46277069 SOFOBXYHBKEQGL-JTQLQIEISA-N 324.336 1.998 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 52832116 JOIAEMHVGVCCJN-SFHVURJKSA-N 317.433 1.841 0 40 DDAB Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCN(C(C)C)CC1 55311731 VXUQMOQXGSIUHX-UHFFFAOYSA-N 316.379 1.001 0 40 DDAB CN(CCN1CCCC1=O)S(=O)(=O)CCc1ccccc1 71903197 GFDSLCDORRANBF-UHFFFAOYSA-N 310.419 1.113 0 40 DDAB NNc1nccc(Br)c1I 90613244 ITTQYIFBRJKSLD-UHFFFAOYSA-N 313.924 1.734 0 40 DDAB Cc1nc(/C=C/c2cccnc2N(C)C)nc(O)c1CC(=O)O 1548453374 VHQPZEMATDLVDQ-VOTSOKGWSA-N 314.345 1.749 0 40 DDAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccncc3)C2)n1 19594325 LLMCREYUOLGNJU-AWEZNQCLSA-N 314.389 1.691 0 40 DDAB Cc1ccc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)nn1 1849112407 LYLDFBJGNFGPSR-UHFFFAOYSA-N 312.421 1.329 0 40 DDAB COc1cc(N2CCN(Cc3cncs3)CC2=O)ccn1 1888857032 QVXIUMUSTNSNPB-UHFFFAOYSA-N 304.375 1.396 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1OC 28058204 GPGKMBRESQJBCK-QWRGUYRKSA-N 315.391 1.502 0 40 DDAB COc1ccc(F)c(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1 2037984398 ZPWMJUFOKUFJDP-BBRMVZONSA-N 322.380 1.513 0 40 DDAB COc1cc(C)c(S(=O)(=O)NCCCN(C)C)c(C)c1 74923021 YVNQUZFNKIOEQW-UHFFFAOYSA-N 300.424 1.542 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)C1CCC1)CC2 2055739034 IXQZAZASKZBJLK-LLVKDONJSA-N 305.378 1.586 0 40 DDAB O=C(NCc1cc(-c2ccccc2F)on1)c1ccc(O)nn1 38754349 OAFNXBCLDVTGBF-UHFFFAOYSA-N 314.276 1.906 0 40 DDAB Cc1cc2c(N3CC(c4nnc5ccccn45)C3)nccn2n1 2298229060 YWUZACXPJAWHNX-UHFFFAOYSA-N 305.345 1.684 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C[C@]23C=C[C@H]1O3 4454616 FYMDPHPYLXMCGD-NWJSVONSSA-N 305.717 1.711 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=S)NC[C@@H]2CCCO2)C1 50252896 GAPYKFRGIIKXQC-OLZOCXBDSA-N 313.467 1.278 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1C(=O)Cc1n[nH]c2ccccc12 50583026 ZADDLOBGFYBZPY-OAHLLOKOSA-N 312.373 1.375 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1ccc(Cl)cc1 100410741 AFCLEMNPGSUBDT-UHFFFAOYSA-N 322.777 1.414 0 40 DDAB O=S(=O)(c1ccc(N2CCC(CO)CC2)cc1)C(F)F 40444421 LNLBWTZTYXXHKT-UHFFFAOYSA-N 305.346 1.892 0 40 DDAB Cc1cnc(NCCN2CCC[C@@H](O)C2)nc1-c1ccnn1C 20450826 KORWWDGDYKQNKU-CYBMUJFWSA-N 316.409 1.054 0 40 DDAB Cc1cc(C(=O)NOCc2ccccc2)ccc1-n1cnnn1 32817902 DOGQIUGHBXIZBI-UHFFFAOYSA-N 309.329 1.832 0 40 DDAB CCc1ccc([C@H]2COCCN2CC(=O)Nc2nncs2)o1 76018023 GJXJLOBCAFNFET-LLVKDONJSA-N 322.390 1.706 0 40 DDAB Clc1cccc(N2CCN(c3ccc4nnnn4n3)CC2)c1 1417438 ASVGJMDSOOUPKI-UHFFFAOYSA-N 315.768 1.499 0 40 DDAB Cc1nc(CN2CCC(CNC(=O)[C@H]3CCCO3)CC2)oc1C 78639309 LSKVBIJMEYNFAA-OAHLLOKOSA-N 321.421 1.799 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(CCc3ccncc3)CCO2)n1 78892824 RECPFOZBJBBLRG-CQSZACIVSA-N 301.394 1.939 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1ccccc1F 79042324 YFXHWEPKSJSPGG-NSHDSACASA-N 301.383 1.650 0 40 DDAB O=C(Cc1cccc(F)c1)NC1CCN(c2ncccn2)CC1 32930113 PDTLSTWATRZSIG-UHFFFAOYSA-N 314.364 1.943 0 40 DDAB CC(=O)N[C@@H](C)C(=O)N(C)Cc1ccc(Br)o1 32914763 HQRIPHDWHSSSBD-ZETCQYMHSA-N 303.156 1.525 0 40 DDAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1 4141776 NBHUVTYTBMCIDV-VZAMPYOESA-N 310.353 1.822 0 40 DDAB CCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6429924 XXLRZCYMYIOAQU-UHFFFAOYSA-N 322.405 1.982 0 40 DDAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(O)CC1 22011128 OMYYXEZSAKLSNE-LLVKDONJSA-N 314.393 1.715 0 40 DDAB COCCN(Cc1cccs1)C(=O)N[C@H](C)c1nncn1C 46964484 QKZJVOLRKCWMHS-LLVKDONJSA-N 323.422 1.796 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47059887 VUTKYZWYMDZLGX-SSDOTTSWSA-N 320.374 1.252 0 40 DDAB CCOc1cc(CNC)cc(Br)c1OCC(N)=O 8253706 JRXSRQCLBNIXOE-UHFFFAOYSA-N 317.183 1.431 0 40 DDAB CCC(=O)Nc1ccc(Cl)c(NC(=O)Cn2cnnn2)c1 59307403 HYIADNOURSQZKE-UHFFFAOYSA-N 308.729 1.314 0 40 DDAB Cc1cccnc1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 84247957 WFZONOMCGYARIE-YOEHRIQHSA-N 324.384 1.621 0 40 DDAB CCN1CCC(NC(=O)NCCOc2ccc(F)cc2)CC1 47980512 DADNUNALGGXDRH-UHFFFAOYSA-N 309.385 1.988 0 40 DDAB CS(=O)(=O)NCC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648437 NZVYHKPAPYTRST-XUXIUFHCSA-N 314.451 1.353 0 40 DDAB O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(-c2ncon2)cc1 107357809 ZGJFEWYGVUOAGD-GFCCVEGCSA-N 312.373 1.951 0 40 DDAB CN(CCc1ccccc1)C(=O)CN(C)c1ncnc2[nH]cnc12 56737955 LFBRBBLUJRHMDM-UHFFFAOYSA-N 324.388 1.490 0 40 DDAB COc1ccc(NC(=O)NCc2cccnc2N(C)C)cn1 48018319 ADHJNZPUNDISJS-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 48129715 VKGNOUBXKCCWDU-SWLSCSKDSA-N 315.373 1.684 0 40 DDAB COC(=O)c1cc(CNC(=O)c2ccc(=O)[nH]c2)ccc1OC 10026611 PREZPCMIGHPNIP-UHFFFAOYSA-N 316.313 1.100 0 40 DDAB COCCNC(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C 110641208 FWNLSLSJBGUXRL-DOTOQJQBSA-N 320.433 1.828 0 40 DDAB Cc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)n(C)n1 58246219 KHCMPKRXJJLPQP-LBPRGKRZSA-N 318.446 1.967 0 40 DDAB COCCN1C[C@@H](C(=O)NCc2ccc(Cl)s2)CC1=O 45457282 FMBHDYUGEMKWAR-VIFPVBQESA-N 316.810 1.513 0 40 DDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC1CCCC1 36689213 VNZBPBIFWDHNNC-CQSZACIVSA-N 315.373 1.208 0 40 DDAB O=C(NCCCO)c1nnc(Cc2c(F)cccc2Cl)o1 2440651 ZWJXSYPSJSWJIC-UHFFFAOYSA-N 313.716 1.565 0 40 DDAB CN(C)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1 3447256 CIMCRRSDXYVENT-UHFFFAOYSA-N 324.340 1.672 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)nn1 69348522 PYSUNOBLXGNRNI-LBPRGKRZSA-N 300.366 1.216 0 40 DDAB CN1C(=O)S[C@H](Cc2ccc(NS(C)(=O)=O)cc2)C1=O 3997405 WHWGCOOLSDQNKS-SNVBAGLBSA-N 314.388 1.294 0 40 DDAB COCCS(=O)(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 72273670 VCBHLDZTDFIDMI-GFCCVEGCSA-N 324.406 1.236 0 40 DDAB CN1CCN(C(=O)C2CCN(Cc3cccc(O)c3)CC2)CC1 6379356 ANQJEGBSHBOAPJ-UHFFFAOYSA-N 317.433 1.378 0 40 DDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC1CCOCC1 65466183 BDSSQNKGNQTZQY-UHFFFAOYSA-N 305.256 1.694 0 40 DDAB CCCN(CC(=O)NC)C(=O)[C@@H]1CCCN1Cc1ccccc1 65591337 GVOZPZGOBIJTFE-INIZCTEOSA-N 317.433 1.636 0 40 DDAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1nccn1C 65554590 RWBMCKFTLWRJCW-GFCCVEGCSA-N 321.402 1.386 0 40 DDAB CS(=O)(=O)Nc1cc(C(=O)NCC2CC2)ccc1Cl 65536651 RHPAQQQZVUFIGU-UHFFFAOYSA-N 302.783 1.851 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ncnc2c1CCC2 69589515 YBYFGDUHRKBBGT-CVEARBPZSA-N 300.406 1.945 0 40 DDAB O=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccccc21 6454846 ZBDXYRWBCUSEOU-UHFFFAOYSA-N 322.412 1.793 0 40 DDAB COc1ccccc1CN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 14136289 LYBMLDDFCXPKSE-LLVKDONJSA-N 316.409 1.721 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 4505376 HOGKXFOVCJMABQ-LBPRGKRZSA-N 317.432 1.111 0 40 DDAB O=C1CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCN1 14235643 YJTSIDSBUVIZBM-UHFFFAOYSA-N 314.366 1.880 0 40 DDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c1 4742680 CICIOYNVBGGCHH-UHFFFAOYSA-N 317.341 1.517 0 40 DDAB C[C@]1(NC(=O)CSc2ccccc2F)CCS(=O)(=O)C1 6880008 WKEOPALQEBODDS-ZDUSSCGKSA-N 317.407 1.611 0 40 DDAB NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1N 6936853 XABUNAPAHLOXCT-UHFFFAOYSA-N 305.647 1.621 0 40 DDAB CCNC(=O)NC(=O)CNc1ccc(/C=C/C(=O)OCC)cc1 8705963 RMIDUGWKUVXLAF-JXMROGBWSA-N 319.361 1.521 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(-n3cnnn3)c2)no1 15399956 FDAPVBHDLBYCLN-SNVBAGLBSA-N 314.305 1.365 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCOCC2)CC1=O 15480387 FBMPGWPFSJQFTB-DZGCQCFKSA-N 302.374 1.455 0 40 DDAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)O 19797609 MSAGTKRTMYZZFX-ZDUSSCGKSA-N 317.341 1.957 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2Cc1ccccc1Cl 9340959 NTWHWOHQROJBIP-WDEREUQCSA-N 316.835 1.196 0 40 DDAB C[C@@H](O)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 71662049 IQURYYGMKKZROY-MRVPVSSYSA-N 307.300 1.620 0 40 DDAB CN(CCN1C(=O)CCC1=O)Cc1nc2c(s1)CCCC2 96447130 BVXQQCTURPHDAS-UHFFFAOYSA-N 307.419 1.603 0 40 DDAB O[C@H](CN1CCn2c(nnc2C2CC2)C1)c1ccccc1F 84501609 BNBZIZCXCXXHEJ-CQSZACIVSA-N 302.353 1.844 0 40 DDAB OCCN(Cc1cccnc1)c1ncncc1Br 97016699 YJMAPUTYTGHRRG-UHFFFAOYSA-N 309.167 1.633 0 40 DDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NO[C@@H]1CCCCO1 95393493 KKLYKPZAFPSBHK-LLVKDONJSA-N 320.267 1.442 0 40 DDAB O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCOC1 95394959 MLJYEHCZTGGNNL-INIZCTEOSA-N 318.417 1.814 0 40 DDAB CC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2nccc(N)n2)C1=O 95448505 BEUHOEQYDFZOHT-SFHVURJKSA-N 324.384 1.974 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 95939002 GIAHTCCANJCWLN-UHFFFAOYSA-N 312.373 1.236 0 40 DDAB CN(C(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 89335135 XAAYFRZSKWOZIE-UKRRQHHQSA-N 322.430 1.893 0 40 DDAB Cc1c(C(=O)N[C@@H](C)Cn2cncn2)c(=O)[nH]c2ccccc12 75104277 ATXBRUOWRAGITJ-JTQLQIEISA-N 311.345 1.247 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2ccnc(Cl)c2N)no1 89606727 OQUXEIJGYPNYLU-UHFFFAOYSA-N 310.697 1.409 0 40 DDAB O=C1CCN(Cc2nc(Cc3ccccc3Cl)no2)C(=O)N1 89814042 MPFSOUSUGVQIBY-UHFFFAOYSA-N 320.736 1.756 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(c2ccccn2)C1 89937864 SPTCMLHJJXSZLU-HUUCEWRRSA-N 302.422 1.461 0 40 DDAB CCOc1ncccc1CNC(=O)NC1CCN(C(C)=O)CC1 89988819 NBGXYIOMYXUXQO-UHFFFAOYSA-N 320.393 1.290 0 40 DDAB COC[C@](C)(CCO)NCc1cc(OC)cc2c1O[C@H](C)C2 89941400 RJZFSLJPIAFUIB-PXAZEXFGSA-N 309.406 1.896 0 40 DDAB CC(=O)N1CC(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)C1 1548446482 LXMCANNBZZUCRZ-JKSUJKDBSA-N 302.374 1.189 0 40 DDAB CCNS(=O)(=O)c1cccc(C(=O)OCCOCC)c1 23076791 QERLVDAMZKNWLR-UHFFFAOYSA-N 301.364 1.178 0 40 DDAB Cn1cc([C@H]2CCCCN2C(=O)NCCc2ccn(C)n2)cn1 547691288 QIBMMIHGWZQDKW-OAHLLOKOSA-N 316.409 1.633 0 40 DDAB O=S1(=O)CCN(Cc2ncccc2Cl)[C@H]2CCC[C@@H]21 528518686 JRTCOJNBXBAJSC-STQMWFEESA-N 300.811 1.887 0 40 DDAB COc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)c(OC)c1 33452405 BSRJYTXDAHMMFW-VFADXPBXSA-N 307.346 1.942 0 40 DDAB CO[C@H]1CCCC[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1 74760098 CAFNKTHINKOAQG-XHSDSOJGSA-N 306.406 1.847 0 40 DDAB COc1cccc(Nc2nc(NCCO)c3nc[nH]c3n2)c1 32124456 KUBAVPMRUTXDMX-UHFFFAOYSA-N 300.322 1.509 0 40 DDAB biogenic C[C@H]1CN=C(N2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)S1 73118086 YKFREFGNDZMHLL-DTWKUNHWSA-N 322.261 1.816 0 40 DDAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1 36354721 YPBCECICIXVVNN-UHFFFAOYSA-N 300.314 1.395 0 40 DDAB COc1cccc(-c2nccc([C@H]3CCCN3CC(N)=O)n2)c1 72379431 PGRRQYUUQDVJFR-OAHLLOKOSA-N 312.373 1.774 0 40 DDAB COc1cccc([C@@]2(Cc3ccc(F)cc3)NC(N)=NC2=O)c1 71975293 OOGVAPGNFXVZBH-QGZVFWFLSA-N 313.332 1.717 0 40 DDAB CCc1ccccc1CN1CCC2(CC1)NC(=O)N(C)C2=O 189295049 WBBRNWVEGPMMGD-UHFFFAOYSA-N 301.390 1.765 0 40 DDAB CN(CC(=O)NC1CCOCC1)Cc1cccc(N(C)C)c1 89923121 VSBWMMNWTUXDNE-UHFFFAOYSA-N 305.422 1.480 0 40 DDAB COc1ccccc1OCC(=O)NC[C@@](C)(O)CCSC 75157474 IKEPGNQPNPREHZ-HNNXBMFYSA-N 313.419 1.694 0 40 DDAB O=C(NC[C@H]1COCCO1)N1CCc2c(F)cc(F)cc2C1 195540675 MZJYFPYJSJZPPT-LBPRGKRZSA-N 312.316 1.448 0 40 DDAB CCO[C@H]1C[C@@H](NS(=O)(=O)CCN2CCCC2)C12CCC2 192720785 IGRRHSKLWFJCHP-KGLIPLIRSA-N 316.467 1.349 0 40 DDAB c1cnc(N2CC3(CCNCC3)C[C@H]2COCC2CC2)nc1 96220752 SMEWFWNVEZHXNG-HNNXBMFYSA-N 302.422 1.852 0 40 DDAB COc1cccc(CC(=O)N2CC[C@@H](OC)[C@H]3OCC[C@@H]32)c1 96218689 XNXNYBIYRZBGKS-UXLLHSPISA-N 305.374 1.643 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 96249563 GVCWUZOHJPDUCJ-HZPDHXFCSA-N 303.406 1.549 0 40 DDAB Fc1cnc(N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)nc1 96108827 UPSVMYZBFRUXPG-WBMJQRKESA-N 316.336 1.543 0 40 DDAB COCCN1CCN(C(=O)c2ccno2)Cc2cccnc21 96069183 MREHFLQFWLYNDW-UHFFFAOYSA-N 302.334 1.178 0 40 DDAB CC(C)N1C[C@@H]2CN(Cc3cnn(C)c3)CCC[C@]2(C(=O)O)C1 96185159 FSPUOAAMQKJYGQ-RDJZCZTQSA-N 320.437 1.427 0 40 DDAB CCCN1CC[C@H](CNc2ccc(S(=O)(=O)NC)cn2)C1 91457294 IFBNMASUGWCJPX-GFCCVEGCSA-N 312.439 1.134 0 40 DDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1ncccn1)C2 96217999 IPCLIIAQQGSJKS-DOTOQJQBSA-N 302.422 1.661 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccsc2)Cc2cnn(C)c21 96198209 AITFFNPAVAIDPF-CYBMUJFWSA-N 305.403 1.797 0 40 DDAB CS(=O)(=O)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 96186122 KXPZTRUITIXUEO-IHRRRGAJSA-N 312.391 1.042 0 40 DDAB O=C(N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21)c1ccncc1 97953488 IBTOSPYDMWLZQF-UAGQMJEPSA-N 315.417 1.843 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)NC1CC1 96216239 JFMYFNQMKIMSNJ-APHBMKBZSA-N 301.390 1.340 0 40 DDAB COC(=O)CC1CCN(C(=O)Cc2ccc3c(c2)OCC3)CC1 95478222 XZUZILOENZQXRJ-UHFFFAOYSA-N 317.385 1.966 0 40 DDAB CCCN(CC(F)F)C(=O)c1cc(C)ccc1S(N)(=O)=O 96489066 LDDIABLXAXYMQL-UHFFFAOYSA-N 320.361 1.760 0 40 DDAB COCCn1cnnc1CCNc1nc(C)nc2ncccc12 95353773 VVEWTUGGUMWBPH-UHFFFAOYSA-N 313.365 1.226 0 40 DDAB CS(=O)(=O)[C@H](CO)[C@H](O)c1ccc(-c2ccccc2)cc1 96521776 NFUJXXDVYZRMRL-HZPDHXFCSA-N 306.383 1.793 0 40 DDAB CC(C)C(=O)N[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@H]2O)C1 245338645 NNIHMVMLMDBNMA-DJIMGWMZSA-N 302.418 1.881 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2csc(C)n2)n1 257268703 MMVKCHPNFWJUAE-ZDUSSCGKSA-N 306.391 1.829 0 40 DDAB O[C@H]1CCN(c2ncccn2)CC[C@@H]1N1CCC(F)(F)CC1 257254133 KBTKGQAPHCPEDE-STQMWFEESA-N 312.364 1.537 0 40 DDAB O=C(N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1ccccn1 257307892 TUNZNMCUAWOBBZ-DTZQCDIJSA-N 311.341 1.186 0 40 DDAB O=C(CCOc1ccccc1)N1CC[C@](O)(CN2CCCC2)C1 257288267 PTOJKQJZNZVHDX-SFHVURJKSA-N 318.417 1.515 0 40 DDAB O=C(O)CN1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257335071 YIOFZMPWMKBEFY-SUMWQHHRSA-N 320.364 1.739 0 40 DDAB Cc1cnc([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)s1 257267678 MIHZEAGUBCHFPP-AWEZNQCLSA-N 323.462 1.880 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)n1 257307990 TUZUSTSTPIDTLJ-HNNXBMFYSA-N 315.421 1.719 0 40 DDAB CO[C@H]1CCN(C(=O)CCn2ccccc2=O)C[C@@]12CCCO2 257279525 OHADTORLXXHZKW-YOEHRIQHSA-N 320.389 1.035 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N1CCOC2(CCOCC2)C1 90608845 FMYDPLWDEWVZJY-AWNIVKPZSA-N 323.414 1.869 0 40 DDAB C[C@@]1(c2cccnc2)NC(=O)N(CCO[C@H]2CC2(F)F)C1=O 585097872 AXIFNIARABRLSO-GWCFXTLKSA-N 311.288 1.273 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@@H]2C 585097281 HQKPKDDUVGMUOM-LLVKDONJSA-N 304.350 1.585 0 40 DDAB CSCC(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@@H]1C 585096418 NAEPAXQWCULSRN-JTQLQIEISA-N 310.423 1.288 0 40 DDAB COC(=O)c1sc2nc(-c3cnccn3)[nH]c(=O)c2c1C 54753647 RSNGMNMVOVLCAM-UHFFFAOYSA-N 302.315 1.537 0 40 DDAB CN(C)CCNC(=O)CCS(=O)(=O)c1ccccc1Cl 62065863 YSGWXLFXYPJBCZ-UHFFFAOYSA-N 318.826 1.182 0 40 DDAB COc1cc(C(=O)N2CCCC[C@H]2CNC(N)=O)ccc1C 69530663 TYNUOWKJYDCGAQ-ZDUSSCGKSA-N 305.378 1.667 0 40 DDAB COCCN(CC(N)=O)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 69622973 HGIVXUGHVDSJFI-OLZOCXBDSA-N 310.781 1.404 0 40 DDAB O=C1SCC[C@@H]1NC[C@H](O)COCc1ccc(Cl)cc1 89787927 IOAJXYYJMFLOHS-STQMWFEESA-N 315.822 1.839 0 40 DDAB CN(C)c1cnnc(N2CCN(C(=O)C3CCCC3)CC2)c1 96121042 MTGBTUKUPVMYLG-UHFFFAOYSA-N 303.410 1.381 0 40 DDAB Cc1nn(CC(=O)NC2CC2)c(=O)c2cc3ccsc3n12 12114226 ZSKFIAONJZBIJP-UHFFFAOYSA-N 302.359 1.298 0 40 DDAB COCC(=O)NCCc1nc(C)ncc1-c1onc(C)c1C 12671291 KVQBZFBNPYKQDP-UHFFFAOYSA-N 304.350 1.362 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C1 169689230 QYFGPQIWWMPKDY-ZZVJUGKHSA-N 302.374 1.052 0 40 DDAB CC(C)(C)n1ncn(C[C@H]2CN(c3ccccc3)C(=O)O2)c1=O 163789645 AHHXJRTXRPOHCX-ZDUSSCGKSA-N 316.361 1.825 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)c1ccccc1C(F)(F)F 107286626 BQKKJMMHRFRISF-PTRXPTGYSA-N 303.280 1.567 0 40 DDAB Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)s1 23140632 RRQFXBLIHZRZNW-LLVKDONJSA-N 324.431 1.810 0 40 DDAB Cc1nc(N(C)C2CN(c3cnccn3)C2)cc(C(F)(F)F)n1 1888842732 JBKWMCNKRBTBSF-UHFFFAOYSA-N 324.310 1.919 0 40 DDAB Cc1cc(N(C)C2CCN(S(=O)(=O)C(C)C)CC2)ncn1 1849734723 CKIAZWXGPAVPSH-UHFFFAOYSA-N 312.439 1.424 0 40 DDAB Cn1cccc1C(=O)NCc1nc(-c2cc(C3CC3)on2)no1 238868754 MJTATTQISYOYPT-UHFFFAOYSA-N 313.317 1.871 0 40 DDAB CS(=O)(=O)N1CCC(NCc2ccccc2Cl)CC1 30656201 YIZSNBCXPNKHGW-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)nc1 2037984586 GKJQLEQOCWAUSF-KRWDZBQOSA-N 317.389 1.244 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnc(C)c1C)C2 1147065164 KIZDVIVBEQKRFI-PBHICJAKSA-N 319.405 1.751 0 40 DDAB Cc1cc(NC(=O)CCn2nnc3ccccc3c2=O)sn1 44451383 PQZBJQHCQVSPBP-UHFFFAOYSA-N 315.358 1.585 0 40 DDAB O=C(/C=C/c1ccccc1)N1CCN(c2cnsn2)CC1 585148903 MDVUVGABDRBEIM-VOTSOKGWSA-N 300.387 1.900 0 40 DDAB Cc1nnc([C@H]2CCCN2C(=O)[C@@H](C)N2CCSCC2)o1 96485667 QPUYUYBHBYNKJN-ZYHUDNBSSA-N 310.423 1.479 0 40 DDAB C[C@H](NC(=O)c1ccc(O)nn1)c1ccc2c(c1)NC(=O)CO2 30001889 LTJCMICGUXQOJE-QMMMGPOBSA-N 314.301 1.004 0 40 DDAB Cn1ccnc1[C@@](O)(CC(=O)NC1CCCC1)C(F)(F)F 40488163 SDOBXKIROVWOFP-LBPRGKRZSA-N 305.300 1.619 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnc(Cl)c(Cl)c1 20549445 LUXYQTKMEWPXSO-SSDOTTSWSA-N 309.174 1.305 0 40 DDAB COc1ccc(CNc2c(NCCCN(C)C)c(=O)c2=O)cc1 101677015 MPTRICPWGMWHCH-UHFFFAOYSA-N 317.389 1.267 0 40 DDAB COC(=O)/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1 386807 UAOQKOYDWIFHSF-AATRIKPKSA-N 308.765 1.718 0 40 DDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1csc(C2CCCCC2)n1 46189658 ISYKJVYVVNFITC-VIFPVBQESA-N 316.448 1.979 0 40 DDAB CS(=O)(=O)NCCNC(=O)CCCc1c[nH]c2ccccc12 29679899 SANIGHUAUTVDDY-UHFFFAOYSA-N 323.418 1.156 0 40 DDAB O=C(CSCc1ccncc1)NC[C@@H]1CCN(C2CC2)C1 69700769 MNTGSFHQPUISSY-AWEZNQCLSA-N 305.447 1.915 0 40 DDAB CC[C@@H](C(N)=O)N1CCN([C@@H](C)c2ccccc2OC)CC1 69739751 MHVNVUUXNVBBAG-ZFWWWQNUSA-N 305.422 1.638 0 40 DDAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCC(=O)N1 78775433 FWYVIKDGWSQBHG-SNVBAGLBSA-N 316.279 1.822 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CC[S@](=O)C2)s1 78963625 YPHYXLFTNUIHIU-QOLSBQFWSA-N 309.359 1.909 0 40 DDAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCCC1 79495383 GFZXRVFZVLABKU-UHFFFAOYSA-N 323.462 1.236 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C 6471797 BMCLOPCFBLJVFS-UHFFFAOYSA-N 315.391 1.624 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 6949934 XPKZJESOGXCYLB-UHFFFAOYSA-N 315.391 1.577 0 40 DDAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cnccn1 22024376 OPCSIQHDTHDPMV-UHFFFAOYSA-N 319.748 1.874 0 40 DDAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O 533698 JXANZFGYLXWYHZ-SNVBAGLBSA-N 317.345 1.594 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2C1 107254072 CTZCRJBOZVQNMG-QKDCVEJESA-N 313.401 1.706 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@@]2(C)N[C@@]1(C)c1c(C)ccc(C)c12 104188009 YWXDPGKWWJXOIC-ROUUACIJSA-N 315.369 1.993 0 40 DDAB CC[C@H](CO)NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 60907534 WYLZVWNNINMEII-ZIAGYGMSSA-N 320.368 1.719 0 40 DDAB CCOC(=O)C(=O)Oc1cc(C)nn1-c1nc(C)cc(C)n1 10382247 DUCJFJWHVWUSDL-UHFFFAOYSA-N 304.306 1.056 0 40 DDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F 53699807 XRWMYHIKMUJFKH-LLVKDONJSA-N 319.329 1.681 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccc(F)cc2n1 53894342 CTLXXHUEXUYMIZ-JTQLQIEISA-N 301.321 1.630 0 40 DDAB O=C(NCc1nnc2n1CCCC2)c1cn(-c2ccccc2)nn1 53903687 DLZHSOQCJBGJOR-UHFFFAOYSA-N 323.360 1.125 0 40 DDAB CCc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)o1 42394751 XDQPLXXODMZVAJ-DZGCQCFKSA-N 322.405 1.309 0 40 DDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 107712593 RZVDYOMZEUIDDE-GJZGRUSLSA-N 317.451 1.634 0 40 DDAB COc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1F 71829759 IVVDLCPSBNQAHH-CMPLNLGQSA-N 308.353 1.489 0 40 DDAB CCCOc1ccccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 101675345 XEZJNCWVEYQQOZ-NSHDSACASA-N 301.306 1.445 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Cl)c[nH]1 24681765 KUQLFCQPJRJLBU-JTQLQIEISA-N 319.814 1.212 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 106838913 AXJOIZCFEVOIAT-UONOGXRCSA-N 322.409 1.296 0 40 DDAB C[C@H](Cn1cccn1)NCC(=O)NCCOc1ccccc1 71879160 WNQWZJFCSMZXNV-CQSZACIVSA-N 302.378 1.056 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)o1 25274394 MRNWYCYGSJCRDO-NXEZZACHSA-N 300.380 1.496 0 40 DDAB COc1cc2c(cc1OC)CCN(c1cc(C)nc(N)n1)CC2 57150208 ZBTKVOAPSQIJKB-UHFFFAOYSA-N 314.389 1.990 0 40 DDAB Cc1cccc(N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)c1C 48141263 MCSYUDSWSSLDBZ-AWEZNQCLSA-N 324.446 1.385 0 40 DDAB O=C(NCCn1ccnc1)c1ccccc1OC[C@H]1CCCO1 44896941 UBNLSKXPYUSNSK-CQSZACIVSA-N 315.373 1.871 0 40 DDAB Cc1cc(CN2CCN(Cc3nc(C(C)(C)C)no3)CC2)on1 44907691 SRJRFUPISDHZTB-UHFFFAOYSA-N 319.409 1.981 0 40 DDAB CNC(=O)NC(=O)CCN(C)Cc1cc(C)c(OC)c(C)c1 58343114 MNGGHRHTMNHKFE-UHFFFAOYSA-N 307.394 1.590 0 40 DDAB CC[C@H](C)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 58370235 ZVTJLCWWSBNUQR-AWEZNQCLSA-N 318.417 1.955 0 40 DDAB Cc1cnc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)s1 10624378 CRNBTEKOSBGDBF-UHFFFAOYSA-N 316.342 1.907 0 40 DDAB O=C(c1ccnc(Cl)c1)N1CCC(CN2CCOCC2)CC1 48326015 VZEPTVMJXSXBFG-UHFFFAOYSA-N 323.824 1.919 0 40 DDAB COc1ccc(CN(C)CC(=O)NCC(F)(F)F)c(OC)c1 3413906 ADRAYGOACRHLNS-UHFFFAOYSA-N 320.311 1.814 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 49170327 GSPIXLXWKOPJNL-OAHLLOKOSA-N 316.401 1.830 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C(N)=O)c1ccccc1 65489812 VLRPRXZUBXTUGC-BONVTDFDSA-N 314.389 1.483 0 40 DDAB CC[C@H]1CO[C@@H](C)CN1C(=O)NCc1c(C)cc(C)[nH]c1=O 65517641 FLHWEYQKTDZJDW-STQMWFEESA-N 307.394 1.701 0 40 DDAB COC[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCSCC1 65576240 XEAMFSROMWJWCN-ZFWWWQNUSA-N 308.447 1.928 0 40 DDAB C[C@@H](NC(=O)NCC[C@H]1CCCO1)C(=O)NCc1ccco1 65517210 BBAIVWUJKVVDGR-VXGBXAGGSA-N 309.366 1.153 0 40 DDAB O=C(NC1=NCCS1)c1ccc(OCC(F)(F)F)nc1 14166866 OFVHTBLACXNBKF-UHFFFAOYSA-N 305.281 1.855 0 40 DDAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCNC1=O 14114790 JAHIKNIKEHIGKQ-SECBINFHSA-N 309.395 1.037 0 40 DDAB CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 14245448 VNKCRRPEKPXWTB-ZETCQYMHSA-N 312.786 1.861 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)[C@@H]1C 14201299 LETUYZFPSYQLFJ-NQBHXWOUSA-N 317.393 1.071 0 40 DDAB Cn1cc(C(=O)NS(=O)(=O)N2CCCC2)c2ccccc21 6669374 OSMDUQOBBXWUBF-UHFFFAOYSA-N 307.375 1.249 0 40 DDAB CCS(=O)(=O)NCC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C 96485398 SZCOSWIUXMCINK-JQWIXIFHSA-N 316.448 1.392 0 40 DDAB Cc1cc(=O)c(O)c(CN2CCN(Cc3ccccn3)CC2)o1 71285252 WVACWTWDWPHFEK-UHFFFAOYSA-N 315.373 1.367 0 40 DDAB CS(=O)(=O)NCCNCc1cnc(-c2ccccc2)s1 66989989 RENSMKYNYWNXKM-UHFFFAOYSA-N 311.432 1.449 0 40 DDAB O=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)cc1 4985347 BWLMEVMMZQXGIN-UHFFFAOYSA-N 318.764 1.680 0 40 DDAB Cc1nnc(S[C@H](C)C(=O)NC(N)=O)n1C1CCCCC1 4925183 SSNHLZWAQUQJBZ-MRVPVSSYSA-N 311.411 1.767 0 40 DDAB CC(C)OCCC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 67732021 VWQKGTOEKXBGJH-NSHDSACASA-N 302.440 1.618 0 40 DDAB NC[C@H]1CN(C(=O)c2cc(-c3ccccc3F)[nH]n2)CCO1 19641477 KLWYBAJWCPEPAT-JTQLQIEISA-N 304.325 1.016 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 69294551 ZEYZYJZJFHVQHE-SWLSCSKDSA-N 311.403 1.456 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN([C@H]2C[C@@H](C)OC2=O)CC1 69418680 BCCNITULEWQSFM-MDZLAQPJSA-N 320.393 1.330 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc12 69656492 QAILUYMQVGSCLW-AWEZNQCLSA-N 324.388 1.951 0 40 DDAB COc1ccc(C(=O)NCC(=O)Nc2ccncc2)cc1OC 17585705 GVLSYIVFPQBGDM-UHFFFAOYSA-N 315.329 1.467 0 40 DDAB CCCn1c(SCC(=O)NCC2CCCCC2)n[nH]c1=O 9738522 IAVRBIVSXXEFRY-UHFFFAOYSA-N 312.439 1.770 0 40 DDAB COC[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccco1 97110645 OXTOULQUCVCWLM-LLVKDONJSA-N 305.359 1.826 0 40 DDAB Cc1nn(C)c(C)c1OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 84012269 PVVNGWPXMUAHRU-CYBMUJFWSA-N 305.378 1.591 0 40 DDAB Brc1cnc(NCCc2nnc3n2CCCC3)nc1 97108414 ZSRJYINVCHIDDJ-UHFFFAOYSA-N 323.198 1.822 0 40 DDAB CCc1nn(C)cc1CN1CCN(C(=O)OCC(C)C)CC1 97033902 YVDVJERVJQBRFA-UHFFFAOYSA-N 308.426 1.893 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)C2CCC2)cc1-n1cnnn1 97081429 HCUJXYRYHCCXPB-JTQLQIEISA-N 301.350 1.589 0 40 DDAB NC(=O)Nc1cccc(CNS(=O)(=O)c2cccs2)c1 72272700 IIBBTCJHPIQKRC-UHFFFAOYSA-N 311.388 1.717 0 40 DDAB c1coc(-c2nnc(CN3CCCC[C@H]3Cn3cncn3)o2)c1 72253339 QUMYHHPVWGMYNN-LBPRGKRZSA-N 314.349 1.976 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)no1 72232150 MDLPGIVTULPKOV-VXGBXAGGSA-N 318.381 1.752 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCC1 72234950 IZQNEIFMJZMFQN-JKSUJKDBSA-N 319.453 1.952 0 40 DDAB CC(C)NC(=O)CCNC(=O)NCCc1cccc(F)c1F 72281202 PFTDFBPBEPAWRZ-UHFFFAOYSA-N 313.348 1.721 0 40 DDAB CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cncc(F)c1 72300146 WNSHHZIFWCTUCE-QWHCGFSZSA-N 313.398 1.468 0 40 DDAB O=C(NCCn1ncnn1)c1cc(Cc2ccccc2)ccc1O 84541404 WJYFAJKRSUYBNT-UHFFFAOYSA-N 323.356 1.400 0 40 DDAB O=C(COCC(F)(F)F)N[C@H]1CCO[C@@]2(CCSC2)C1 84544126 UXZBMQIYOZPNBJ-ONGXEEELSA-N 313.341 1.736 0 40 DDAB CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(F)cc1F 84791165 HXURBYOEIOICID-QMMMGPOBSA-N 307.318 1.442 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCCn3ncnc32)C1 95462825 ZMXFFAMZLIVDKE-NWDGAFQWSA-N 307.398 1.712 0 40 DDAB CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 95951771 FSSLYLOEQWSUOO-CQSZACIVSA-N 310.419 1.061 0 40 DDAB C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CCN1S(C)(=O)=O 95989057 QIRGNKLOHORHEG-JTQLQIEISA-N 324.393 1.304 0 40 DDAB CCc1nc(Cn2nc3ccccn3c2=O)sc1C(=O)OC 95972473 FFPQQWSVZHNUDW-UHFFFAOYSA-N 318.358 1.350 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]1 75122802 FJIGKAQUOXVNPT-SGMGOOAPSA-N 305.422 1.780 0 40 DDAB COCCNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 66975503 VTLZQLCLTHDOFC-UHFFFAOYSA-N 311.426 1.503 0 40 DDAB C[C@H]1C[C@H](N2CCCN(Cc3noc(C4CC4)n3)CC2)C(=O)O1 75603306 HQAYEMUZLCWJDD-AAEUAGOBSA-N 320.393 1.159 0 40 DDAB CN(CCn1cccn1)C[C@@H](c1cccs1)N1CCOCC1 75603868 KHJMNHPFTAZGRP-HNNXBMFYSA-N 320.462 1.950 0 40 DDAB O=C(NCCO)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 408718245 FFLDQECHZXFFBX-UHFFFAOYSA-N 311.552 1.694 0 40 DDAB CC(C)(C)C1CCC(NC(=O)C(=O)NCCCCCO)CC1 408709697 FQTLYTFNQKESTP-UHFFFAOYSA-N 312.454 1.986 0 40 DDAB C[C@@H](O)c1ccc(-c2ccc(CNCCNCCO)o2)cc1 38246124 NMICFYOCJZVKKH-CYBMUJFWSA-N 304.390 1.671 0 40 DDAB COC(=O)c1cc(N)c(Oc2ccccc2)c(S(N)(=O)=O)c1 39373906 VGKUIQWRNJBNJC-UHFFFAOYSA-N 322.342 1.495 0 40 DDAB in-vitro CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1cc2ccccc2[nH]c1=O 72324609 CBXCRMFLCNBTQU-SNVBAGLBSA-N 324.336 1.721 0 40 DDAB biogenic COc1nn(C)cc1C(=O)NCC(=O)Nc1cccc(C)c1C 56909402 BHOQTWWRZPHBRR-UHFFFAOYSA-N 316.361 1.414 0 40 DDAB NC(=O)NC(=O)CCN1CCN(CC2CC2)c2ccccc21 72696414 YJVVPPVHIWDFMN-UHFFFAOYSA-N 302.378 1.308 0 40 DDAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)COC)n1 72378464 ROUKLMUYFVCXRX-ZDUSSCGKSA-N 315.377 1.535 0 40 DDAB NC(=O)C[C@@H](NC(=O)c1cc2c(F)cccc2s1)C(=O)O 36976570 AIXWQIITOJSWRH-MRVPVSSYSA-N 310.306 1.099 0 40 DDAB CC(C)[C@H](N)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79391385 KKVMIKVNLQKLPX-OLZOCXBDSA-N 313.442 1.733 0 40 DDAB Nc1n[nH]c(CCNc2ncnc3sc4c(c23)CCCC4)n1 521394442 GMBCOCQYKMMSDK-UHFFFAOYSA-N 315.406 1.925 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C[C@@H](C)O1 72239753 XLGPSPJVQUAMHT-SCRDCRAPSA-N 322.430 1.875 0 40 DDAB CCc1nc([C@H](C)NC(=O)c2nn(C)c3c2CCCC3)n[nH]1 565756577 WVKJFMNHWQBDEA-VIFPVBQESA-N 302.382 1.470 0 40 DDAB O=C([C@@H]1CCCN1Cc1cn2ccsc2n1)N1CCOCC1 79099782 JMQLYZIFJIYBDN-ZDUSSCGKSA-N 320.418 1.219 0 40 DDAB CON(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 199828992 LEXFHZYIXPPFQK-ZETCQYMHSA-N 300.277 1.852 0 40 DDAB NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 568712562 SHQOMFQNDHUEQS-BDAKNGLRSA-N 319.390 1.763 0 40 DDAB O=C([C@H]1CCCN1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 195554627 IPDIYZKVICRARH-CHWSQXEVSA-N 309.797 1.857 0 40 DDAB Cc1nnc(CNC(=O)c2csc(-c3cnccn3)n2)o1 44123664 QBYNKMOHRNCKCJ-UHFFFAOYSA-N 302.319 1.222 0 40 DDAB O=C1N(c2cccnc2)CC[C@]12CCN(c1ncc(F)cn1)C2 96159516 REYHHRZNSCELTG-INIZCTEOSA-N 313.336 1.644 0 40 DDAB CC(C)OC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)N(C)C)C2 96040551 LWXTUBKGJVCQOT-ZIAGYGMSSA-N 320.455 1.089 0 40 DDAB COCCN1CC[C@@H](NC(=O)[C@H]2C[C@H]2c2ccccc2C)C1 96419275 KACHNQXAZBXJQJ-PVAVHDDUSA-N 302.418 1.935 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 96249570 ZAVOOKGGEXADCN-HUUCEWRRSA-N 308.447 1.860 0 40 DDAB COc1ccc(CCC(=O)NCCc2c[nH]cn2)cc1OC 96643349 SRWZDURTYVILLO-UHFFFAOYSA-N 303.362 1.718 0 40 DDAB biogenic Cc1cccc(CN2CCC3(CC2)OCC(=O)N(C)[C@H]3C)n1 96201508 RXPYDVAISVIAGH-AWEZNQCLSA-N 303.406 1.602 0 40 DDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccoc3)C2)n1 96038920 IHHHEAYTJLVGFE-JHJVBQTASA-N 303.318 1.758 0 40 DDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)C(C)(C)C)C1)COC2 96244030 FDHACRWCUMDHQJ-QGZVFWFLSA-N 318.421 1.589 0 40 DDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 96043261 UJCXDJRWXFERCR-MAZHCROVSA-N 304.390 1.928 0 40 DDAB Cc1cccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2=O)n1 96245369 ZFTFDSDDGVNAAR-HIFRSBDPSA-N 309.373 1.275 0 40 DDAB Cc1nc(CNC(=O)NCCc2nc3c(s2)CCCC3)no1 95451694 KUBPLPLDQHQUJR-UHFFFAOYSA-N 321.406 1.755 0 40 DDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](C)N1CCc2ccccc21 248910614 IVWQTGILYIVQSU-XEZPLFJOSA-N 324.446 1.534 0 40 DDAB CO[C@H]1CCOC2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 247924036 DFJOVVHZDVCUTA-LBPRGKRZSA-N 319.357 1.478 0 40 DDAB Cc1cc([C@H]2CCCCN2C(=O)Cn2ccnc2)nc2nccn12 257318985 VQEYUXANUBXLRU-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB CC(=O)NCc1cc([C@H]2CCCN2Cc2ccn(C)n2)ccn1 257286372 PLHYFWFUUTYPEL-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB COc1cccc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)c1F 257247849 JAVMXMBTTWKJED-KBPBESRZSA-N 310.369 1.296 0 40 DDAB CC(=O)N1CC2(CCN(Cc3ccncc3)CC2)C[C@@]1(C)CO 257286914 PNQDNGBZUWRSPG-KRWDZBQOSA-N 317.433 1.667 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccncc3)C2)CC1 257304487 SLXGQCHDVWREBG-MRXNPFEDSA-N 317.389 1.240 0 40 DDAB c1cnc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)nc1 253596006 LYYFZIQDXMYKMN-CQSZACIVSA-N 312.373 1.936 0 40 DDAB OCCOc1cccc(CN2CC[C@H](O)[C@]3(CCCO3)C2)c1 257213812 CJEDKJGGAVVHLP-IRXDYDNUSA-N 307.390 1.174 0 40 DDAB Cc1nc(Cn2nnc(NC(=O)c3ccsc3)c2C)no1 252498610 RGAXZPQEFXCJCZ-UHFFFAOYSA-N 304.335 1.640 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3ccnn3C)CCO2)n1 257304690 SMSSLXOXFSEHJD-KRWDZBQOSA-N 315.421 1.763 0 40 DDAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cnn(C)c2)ccn1 257232568 GLKSUZJXDSTMTL-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB CCOc1ccc2nnc(CNC(=O)Cc3ccsc3)n2n1 252482504 DHDKVCFATLNGDT-UHFFFAOYSA-N 317.374 1.443 0 40 DDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccn1 257258115 KSLLERDWUFYVLK-KRWDZBQOSA-N 311.389 1.451 0 40 DDAB CCn1ncc(S(=O)(=O)N2CC[C@H](c3[nH]ncc3C)C2)c1C 257245865 IRKCVEDZFUHZAP-LBPRGKRZSA-N 323.422 1.421 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575404241 MIECKEYMUMVYJU-HNNXBMFYSA-N 320.389 1.395 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@H]1CCCC(F)(F)C1 585141805 GDEZICNMOBFQIQ-ZJUUUORDSA-N 312.382 1.256 0 40 DDAB Cc1ccc(CNC(=O)N(C)C[C@H](C)O)c(N2CCCC2)n1 96500588 SCLNHOQHBHQBDI-ZDUSSCGKSA-N 306.410 1.512 0 40 DDAB Cn1cccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 5007019 ZCFABAIANFBMNB-FMIVXFBMSA-N 319.386 1.684 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)[C@@H]2C[C@H]2C)c1C 5701482 KZWQLMHDGATOER-DGCLKSJQSA-N 318.373 1.557 0 40 DDAB CCOc1ccccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 16741205 NOHBWARAZIUZQW-PWSUYJOCSA-N 312.416 1.739 0 40 DDAB 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316.361 1.346 0 40 DDAB O=C([C@H]1CCc2ccccc2O1)N1CC(Nc2ccncn2)C1 618256223 ORQWRTYDZQTQAE-OAHLLOKOSA-N 310.357 1.493 0 40 DDAB CCC[C@@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 40091139 AZCSFHVFOZYSIP-OLZOCXBDSA-N 316.405 1.972 0 40 DDAB C[S@](=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1 50603740 MQUKFZVUQOAXEY-OAQYLSRUSA-N 318.280 1.813 0 40 DDAB Cc1nnc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)s1 100512665 XMZDZVPLCRGJKD-UHFFFAOYSA-N 316.342 1.656 0 40 DDAB CCCn1nc(C(=O)NCCCN2CCC[C@H](C)C2)ccc1=O 40534683 NWBLGCKYJDIHAQ-AWEZNQCLSA-N 320.437 1.505 0 40 DDAB CN(C)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)ccn1 40513703 RSOSBIBCYNOFDG-UHFFFAOYSA-N 313.357 1.849 0 40 DDAB CCn1ccc(-c2cc(C(=O)O)n3nc(C(=O)O)cc3n2)n1 20605711 UDQRPNHZKNUULI-UHFFFAOYSA-N 301.262 1.009 0 40 DDAB O=C(COCc1nc2ccccc2s1)NCC(=O)NC1CC1 32748275 NXPHMVOZHWNLMQ-UHFFFAOYSA-N 319.386 1.208 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)OCc2ccccc2)C1 1857794677 KBWRRUGYMQKSGW-UONOGXRCSA-N 321.373 1.958 0 40 DDAB 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O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nncs1 12929496 IVHOQHGSWYTFAE-UHFFFAOYSA-N 324.749 1.556 0 40 DDAB CC1CCC(NC(=O)CN2CCN(c3ccccn3)CC2)CC1 48616025 DNNCFXSGTOHSAD-UHFFFAOYSA-N 316.449 1.899 0 40 DDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F 13087570 TYMJQTRJEPIIBQ-SNVBAGLBSA-N 305.302 1.593 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 13255250 VNKNTAYQELMPHE-CHWSQXEVSA-N 323.370 1.696 0 40 DDAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCCC1 5035347 KXSTZWGWVDYONP-NSHDSACASA-N 303.391 1.765 0 40 DDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCCC(=O)O 4306799 HFFOZDHVPCCMNP-UHFFFAOYSA-N 315.347 1.179 0 40 DDAB CCN1CCN(C(=O)COCc2nc3ccccc3s2)CC1 65417579 FUNUEVKLDSKNHT-UHFFFAOYSA-N 319.430 1.977 0 40 DDAB CN(Cc1ccco1)C(=O)N[C@H]1CCCc2c1cnn2CCO 65439970 WHFDORCJBQPLBD-AWEZNQCLSA-N 318.377 1.687 0 40 DDAB COc1ccc(CN2C[C@H]3[C@@H](C2)OCCN3C)c(OC(C)C)c1 93641968 FTEYJANYGVUHFD-FUHWJXTLSA-N 320.433 1.997 0 40 DDAB O=C1OCC[C@H]1N1CCN(CCOc2ccccc2Cl)CC1 65587798 BHCNZKNWCCWFPB-CQSZACIVSA-N 324.808 1.652 0 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OCc1cn(-c2ccc(NCc3nc(C4CC4)no3)cc2)nn1 97108613 FYCFQFULRAIUGT-UHFFFAOYSA-N 312.333 1.632 0 40 DDAB O=C(Nc1cccc(F)c1F)C(=O)N[C@@H]1CCN(C2CC2)C1 71920343 CUFKFPWVLRTUEZ-SECBINFHSA-N 309.316 1.256 0 40 DDAB CCN(CC)C(=O)CCCNC(=O)[C@H]1C[C@H]2CCCCN2C1 72310139 NLXXAJZFVOKYJU-LSDHHAIUSA-N 309.454 1.626 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](N2CCOCC2)C1 84022975 OXPYMAUSYYFJHM-FZMZJTMJSA-N 307.394 1.328 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 97051662 QLEGXGHTIBHJEZ-LLVKDONJSA-N 320.817 1.993 0 40 DDAB O=C1CC[C@H](NC(=O)Nc2nc(-c3cccnc3)cs2)CN1 72230541 VQJYLRLUZOXNHS-JTQLQIEISA-N 317.374 1.605 0 40 DDAB COc1c([C@H]2CCCN2C(=O)[C@@H](C)n2cncn2)c(C)nn1C 72234358 IBNVOWOXLOOLAW-VXGBXAGGSA-N 318.381 1.253 0 40 DDAB Cc1ccc2cc(C(=O)N3C[C@H](CO)OC[C@H]3C)ccc2n1 97230325 JQCQMRSTBMDAJU-IUODEOHRSA-N 300.358 1.765 0 40 DDAB CC[C@@](C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1O 97237952 MDQGBNDOYYJQDJ-HNNXBMFYSA-N 307.325 1.608 0 40 DDAB Cc1cc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc(=O)[nH]1 97377452 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Cc1nc(C)n(C[C@@H]2CN(Cc3cnc(C)s3)CCO2)n1 75132170 SCGUPVZEHYPPEM-ZDUSSCGKSA-N 307.423 1.561 0 40 DDAB Cc1noc(-c2cccnc2NCC2(CS(C)(=O)=O)CC2)n1 89721286 TWVDZNHCFHHZCG-UHFFFAOYSA-N 322.390 1.677 0 40 DDAB CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnn2)cc1 89772315 USXXYXPDNUYIQH-LSDHHAIUSA-N 300.362 1.955 0 40 DDAB O=C(NCCc1ccccc1F)c1cc2c([nH]c1=O)CCC2 89813899 IXNZOELHAWWIPU-UHFFFAOYSA-N 300.333 1.975 0 40 DDAB C[C@H](c1ccc(F)cc1F)N1CCN(Cc2cn(C)nn2)CC1 89904998 DISPVHMNMGISLE-GFCCVEGCSA-N 321.375 1.972 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc2c(c1)CC(=O)N2 89905042 SJCXYFLELYYPGC-QWRGUYRKSA-N 303.362 1.578 0 40 DDAB O=C(c1c[nH]nc1-c1ccncc1)N1CCC[C@@H]1Cn1cccn1 75604365 MWNUUAKCXAIWLF-CQSZACIVSA-N 322.372 1.973 0 40 DDAB CC(C)c1nocc1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 1551462697 WDTLMMCYGGGSJC-ZYHUDNBSSA-N 319.365 1.561 0 40 DDAB Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2[nH]c(C)nc2C)n[nH]1 1551458566 FUHYJVBGQHLSOF-VXGBXAGGSA-N 318.381 1.098 0 40 DDAB O=C(CCCn1cnnn1)N1CCc2[nH]c3ccccc3c2C1 524732513 KYWJODOYECONDH-UHFFFAOYSA-N 310.361 1.520 0 40 DDAB CCCC(=O)N1CCN(c2ccc(N)cc2-n2cnnc2)CC1 70461824 XBMFBLBVGSMBBC-UHFFFAOYSA-N 314.393 1.298 0 40 DDAB CN(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1 73742985 QWFZKLAVEGQYQI-UHFFFAOYSA-N 314.183 1.065 0 40 DDAB CCOC(=O)N[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)C(C)C 32912138 SAHZIBWIZSSREU-LBPRGKRZSA-N 304.350 1.694 0 40 DDAB Cc1cnc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cn1 31737652 AIVABCMTMFWNAR-JTQLQIEISA-N 312.329 1.607 0 40 DDAB O=C(NCc1cccc(O)n1)[C@@H]1CCN(Cc2ccccc2)C1 566746421 CTOKOACEPSXKII-OAHLLOKOSA-N 311.385 1.926 0 40 DDAB CC(C)(C)OC(=O)NCCc1ccc(S(N)(=O)=O)cc1 38857986 AKUPRXWQEIRZBC-UHFFFAOYSA-N 300.380 1.401 0 40 DDAB in-vitro Cc1ccc2[nH]c3c(=O)n(CC(=O)NCC4CC4)cnc3c2c1 35423777 SMCAKYOTEJSNEQ-UHFFFAOYSA-N 310.357 1.712 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218406545 OPPUZBNOEFEWEZ-GMXVVIOVSA-N 318.778 1.568 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)N=c1[nH]c2ccccc2[nH]1 71282932 PBRBBFMJCPVEHH-UHFFFAOYSA-N 323.356 1.059 0 40 DDAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cn1cnnn1 187062152 DVBVCDKUZCKDEE-ZWNOBZJWSA-N 321.768 1.315 0 40 DDAB COC(=O)c1ccc(CCNC(=O)c2ccc(F)cn2)cc1 181765491 UVZMXBXRYBDAGP-UHFFFAOYSA-N 302.305 1.980 0 40 DDAB COc1ccc(NC(=O)COc2c(C)occc2=O)c(OC)c1 40266923 MNENUZYKHPHYAF-UHFFFAOYSA-N 319.313 1.983 0 40 DDAB C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 44966880 PVGOVMXSBZCROJ-VIFPVBQESA-N 300.355 1.488 0 40 DDAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 226455321 SNKNSEBHKHUNDR-HEHGZKQESA-N 322.405 1.494 0 40 DDAB O=C1NCCN(CCO[C@@H]2CCCCO2)[C@@H]1c1ccccc1F 225531719 NYCNCUOINCRIDP-HZPDHXFCSA-N 322.380 1.842 0 40 DDAB CS(=O)(=O)Nc1nnc(NC(=O)CC2CCCCC2)s1 44972338 VKOJANVHCWAHMH-UHFFFAOYSA-N 318.424 1.819 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225192441 SVVKDVRPJUEMAP-LLVKDONJSA-N 316.398 1.752 0 40 DDAB CCSc1nnc(NC(=O)[C@H]2CSCCC(=O)N2)s1 75171318 RMATZPARUAGNEF-ZCFIWIBFSA-N 318.449 1.210 0 40 DDAB COc1cc(S(=O)(=O)NCCc2ccnn2C)ccc1F 190863991 GFKDPFWFBQMOAR-UHFFFAOYSA-N 313.354 1.089 0 40 DDAB OCCN1CCN(Cc2csc(-c3ccsc3)n2)CC1 48694380 PLUIRXDLAMWGHK-UHFFFAOYSA-N 309.460 1.982 0 40 DDAB CCCN1CCCN(S(=O)(=O)CC2CCOCC2)CC1 96427994 WQVLVCHFEHXXEY-UHFFFAOYSA-N 304.456 1.161 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238710 QMCQWZZKGIZWFF-MRXNPFEDSA-N 305.353 1.936 0 40 DDAB c1csc(CN2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)n1 96054377 MXZHGYHEUXZHTQ-CABCVRRESA-N 322.478 1.124 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2C1 96182271 QYUUAWTXCYSTGY-CWRNSKLLSA-N 301.390 1.122 0 40 DDAB c1ccc(CN2C[C@@H]3CN(CC4CCOCC4)C[C@H]3C2)nc1 96053833 VSOYUFAVQXDJRL-IRXDYDNUSA-N 301.434 1.872 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(Cc3c(C)noc3C)[C@@H]2C1 96208946 NEODJBWQIONCGR-BBWFWOEESA-N 323.437 1.459 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]1CN(C)CCN1C 96449559 AOOYNOOEPMDWOA-HIFRSBDPSA-N 323.412 1.345 0 40 DDAB O=C(NC1CC1)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 96074900 XVGCUAUMTUWYBF-CQSZACIVSA-N 323.422 1.081 0 40 DDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 96038838 MBKZWWQXSQRHIX-NVXWUHKLSA-N 317.389 1.227 0 40 DDAB C[C@H]1CN(C)C[C@@]12COCCN(S(=O)(=O)c1ccccc1)C2 96202370 BSMSAUYNLULFIO-GOEBONIOSA-N 324.446 1.275 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)o1 96057659 QXZVCJKINJSWQY-APHBMKBZSA-N 304.390 1.846 0 40 DDAB CCN(CCNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1)C(C)C 245281319 AQUFANKSBAHJOU-ULQDDVLXSA-N 322.497 1.842 0 40 DDAB CC(C)N1Cc2ccnn2[C@@H](C(=O)NCC2CCOCC2)C1 248023004 VGDSNBBGWRUTAQ-OAHLLOKOSA-N 306.410 1.191 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1=CCCC1 245289592 CWXIHODNLDYTJP-BYNSBNAKSA-N 314.385 1.410 0 40 DDAB Cn1ccnc1CN1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 257281044 ONKGSFSXNMPNIG-NVXWUHKLSA-N 319.380 1.964 0 40 DDAB CO[C@H]1CN(Cc2ccccc2OCC(=O)O)C[C@@]12CCCO2 257328229 XESRVKBCQVQMLA-RDJZCZTQSA-N 321.373 1.530 0 40 DDAB Nc1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ccn1 257210163 BTMKFCHJMKEJIH-ZDUSSCGKSA-N 304.419 1.954 0 40 DDAB CN(C)c1nc([C@H]2CCCN2S(C)(=O)=O)cn2cccc12 257276645 NUOQHDOOAUGJJW-GFCCVEGCSA-N 308.407 1.497 0 40 DDAB COCCN1CCC(Cc2nccnc2-c2cc[nH]n2)CC1 257267594 MHZOYDDDCPUYPW-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB c1cn(-c2cncc([C@H]3CCCN(Cc4ncc[nH]4)C3)n2)cn1 257304114 SKDNTDNQRJEFGK-ZDUSSCGKSA-N 309.377 1.765 0 40 DDAB COc1cccc(C(=O)N2CC[C@@H](n3nccn3)C2)c1OC 253473433 UWHVKVNZHGECET-LLVKDONJSA-N 302.334 1.383 0 40 DDAB Cc1cncc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257295846 RADRCXFQRGJLBC-CQSZACIVSA-N 304.375 1.706 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ccno1 257261364 LHACDVOBKCKBRO-LBPRGKRZSA-N 302.334 1.247 0 40 DDAB O=C(CCCn1cc(COc2ccccc2)nn1)NCCCO 252489111 JFQKSKSXDFHCOC-UHFFFAOYSA-N 318.377 1.136 0 40 DDAB Cc1nc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)sc1C 575424710 VXIWEAWAONMJKL-NSHDSACASA-N 319.477 1.624 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@H]21 585109655 YSDIIEKQPNHVDS-ILXRZTDVSA-N 300.358 1.195 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1Cc1ccccc1C(=O)O 585278012 OQHQAXQMUFOXQN-QGZVFWFLSA-N 320.389 1.502 0 40 DDAB Cc1cccc(CN2C[C@H](CC(=O)N3CCCC3)[C@@H](O)C2)n1 585275376 DGYREZUOUFEYEI-HOCLYGCPSA-N 303.406 1.195 0 40 DDAB CN(CCNC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CC1 63116852 KFBIYARAXCJKLB-UHFFFAOYSA-N 322.453 1.125 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nc(C2CC2)no1 69589736 HFTHKXVRVGPVCZ-UONOGXRCSA-N 304.394 1.922 0 40 DDAB COCCN1CC[C@@H](CNC(=O)CCOCc2ccccc2)C1 65626167 PMBDETQCUZASBP-KRWDZBQOSA-N 320.433 1.678 0 40 DDAB CCC1(O)CCN(C(=O)c2cc(NC(C)=O)ccc2O)CC1 75135236 XRBHNSWILBIOJW-UHFFFAOYSA-N 306.362 1.728 0 40 DDAB COC(=O)NC(=O)CN1CCC[C@H]1Cc1ccccc1OC 83980057 IXMRGIHWSZXZJT-ZDUSSCGKSA-N 306.362 1.585 0 40 DDAB CCc1nnc(SCC(=O)Nc2ccccc2OC)n1N 5413146 LRZLYEBVQZVGCU-UHFFFAOYSA-N 307.379 1.294 0 40 DDAB CC(=O)O[C@H]1CCN2C(=O)C=C[C@@H](OCc3ccccc3)[C@H]12 5664758 UDKKAMHHDCVXRP-HLLBOEOZSA-N 301.342 1.674 0 40 DDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12114170 JITSKNUWVBWZGA-UHFFFAOYSA-N 315.308 1.435 0 40 DDAB CC(C)C(=O)N[C@H]1CCCc2nc(N3CCOCC3)ncc21 12220090 OEJKQSHGWWHUCP-ZDUSSCGKSA-N 304.394 1.463 0 40 DDAB O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 12999991 SDCMIAPKOMLBSM-UHFFFAOYSA-N 322.361 1.534 0 40 DDAB CCCC[C@@H](c1nnnn1CCOC)N1CCN(CC)CC1 19502144 NGNQHGICLXESLS-AWEZNQCLSA-N 310.446 1.188 0 40 DDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)C(C)(C)C)CC3)C1 19709464 VDFQECAKKDYZSI-CYBMUJFWSA-N 319.453 1.518 0 40 DDAB O=C1CN(C2CN(c3nc4c(Cl)cccc4s3)C2)CCN1 1889108045 MLKVTAZFNXARLP-UHFFFAOYSA-N 322.821 1.570 0 40 DDAB Cc1nc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)co1 1848353661 KRBPVWJFJWMAGW-AWEZNQCLSA-N 316.361 1.658 0 40 DDAB COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 32956084 RVTWCYJRCHRHLH-LLVKDONJSA-N 321.377 1.111 0 40 DDAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCNC(=O)C1 33224999 AIFWYJFYXVVXJC-MRVPVSSYSA-N 317.172 1.719 0 40 DDAB O=C(O)CC1(N2C[C@H]3CCN(CC4CC4)C(=O)[C@H]3C2)CCC1 1565548999 KZZZBVWZLCEHFK-KGLIPLIRSA-N 306.406 1.574 0 40 DDAB CCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713828 PCCTWHCGAJBXHY-ZDUSSCGKSA-N 318.421 1.598 0 40 DDAB CC(C)C(=O)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738686 KFLXWKKRLVKTAR-NSHDSACASA-N 305.378 1.540 0 40 DDAB Cc1ccc(CNC(=O)C(=O)NCC2CCN(C)CC2)cc1 22998971 BQFHYHUQMZYJFB-UHFFFAOYSA-N 303.406 1.069 0 40 DDAB CS(=O)(=O)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775966204 UMDMBKYPYZBEIT-UHFFFAOYSA-N 311.407 1.404 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H]3C2)C1 1775977211 GWEYANZRIGSPBP-BFHYXJOUSA-N 324.421 1.738 0 40 DDAB CC(C)(C)NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 23127497 VUZSDLNYJHQOIP-UHFFFAOYSA-N 321.421 1.523 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nnc(C3CC3)s2)CC1 2086865365 QFSVDVASTGBCME-LLVKDONJSA-N 323.466 1.451 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1[C@H]2CC[C@H]1COC2 101328520 JVGBIXCBVLTXKA-IUCAKERBSA-N 317.388 1.087 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 38489955 HHWSNGZPYBGHMD-UHFFFAOYSA-N 315.362 1.331 0 40 DDAB O=C(OC1C[C@@H]2CC3C[C@H](C1)N2CC3=O)C1=NCc2ccccc21 21981674 OCOGWGFLDOROLV-HFDVOGEKSA-N 324.380 1.727 0 40 DDAB C[C@@]12CSCC(=O)N1[C@H](C(=O)NCc1ccco1)CS2 40554103 WYTXEQFOTAUHAT-GXFFZTMASA-N 312.416 1.303 0 40 DDAB COc1ccc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)cc1 51315966 ZPFLIOWMWDQVEH-UHFFFAOYSA-N 319.405 1.848 0 40 DDAB Cc1cc([C@@H](C)NC(=O)N2CCO[C@@H](C(N)=O)C2)c(C)s1 51685536 OERCTVWSSMXIOF-BXKDBHETSA-N 311.407 1.322 0 40 DDAB CCCOc1cccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 51612251 YCNGCULNXTUIRF-CYBMUJFWSA-N 307.350 1.193 0 40 DDAB O=C(NCC1CC1)c1nc(COc2ccc3c(c2)OCO3)no1 20725204 XYBKBMKDAZNLRB-UHFFFAOYSA-N 317.301 1.517 0 40 DDAB CCc1ccc(-n2nc(CO)c(C(=O)NCC(C)C)n2)cc1 21173015 KPXIASBLPHFJDW-UHFFFAOYSA-N 302.378 1.708 0 40 DDAB CCN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)s1 46168766 MWTSLZDCUAQHBZ-UHFFFAOYSA-N 301.799 1.775 0 40 DDAB O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)c(F)c1 69371984 WJVGXVUHNHIHBT-BBRMVZONSA-N 323.343 1.596 0 40 DDAB COCCn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc21 2622797 SSRAGVVHKAVJOF-SECBINFHSA-N 322.390 1.358 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NC(=O)NC1CCCC1 2624239 DFVLNIRGOSZZFO-UHFFFAOYSA-N 303.318 1.363 0 40 DDAB O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1ccccc1 2689875 VKTCKFUYBWWNKQ-UHFFFAOYSA-N 319.324 1.683 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)nn1 78902319 OTZLYSRITZYOLH-NSHDSACASA-N 301.350 1.537 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1OC 17031936 DWEJEZLFLUCIQN-UHFFFAOYSA-N 309.347 1.603 0 40 DDAB O=C(O)C[C@H](NC(=O)OCc1ccccc1)[C@@H]1CCCNC1 2576132 VFQOFJQVKVEXIY-KGLIPLIRSA-N 306.362 1.756 0 40 DDAB COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCCC1 4230568 ISZKYJDASITVGO-CQSZACIVSA-N 305.357 1.644 0 40 DDAB COc1ccc(CNC(=S)NC[C@H]2CCCO2)cc1OC 2776846 BFUHQMBGYWCQFC-GFCCVEGCSA-N 310.419 1.847 0 40 DDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 6954073 WTLVWXKBUYCFOB-CYBMUJFWSA-N 310.419 1.532 0 40 DDAB NC(=O)[C@@H](N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 69977755 CYYBCPNJOULFPH-WMZOPIPTSA-N 323.396 1.604 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1[C@@H]1CCCN(c2ncccn2)C1 53086797 CQGWMYCWLFSYMU-GFCCVEGCSA-N 323.356 1.321 0 40 DDAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1)c1ccco1 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O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 4113222 ADGDDQQJHXBKET-UHFFFAOYSA-N 321.310 1.914 0 40 DDAB Cc1cc(C(=O)Nc2cccc3cn[nH]c23)c2c(=O)[nH]n(C)c2n1 32939433 XGAQUMXEFBMOSK-UHFFFAOYSA-N 322.328 1.699 0 40 DDAB Cn1c(CSCCCOc2ccccc2)cc(=O)n(C)c1=O 32909501 AVLYYTQJYXYDRL-UHFFFAOYSA-N 320.414 1.786 0 40 DDAB CC(C)CCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 6306672 UOYNCDNYMOCORQ-UHFFFAOYSA-N 316.398 1.754 0 40 DDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 7214992 ZKDBAKGSDKVXMY-UHFFFAOYSA-N 312.435 1.920 0 40 DDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)cc1 7701610 POTWDPKZAKHKMP-UHFFFAOYSA-N 314.407 1.230 0 40 DDAB Cn1ncc2c(O)nc(CN(C[C@@H]3CCOC3)C3CC3)nc21 52827985 XPONHXKZLNSRKR-JTQLQIEISA-N 303.366 1.070 0 40 DDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(C)CC1 22585697 YTLKRTGGYXKEEA-GFCCVEGCSA-N 305.378 1.032 0 40 DDAB COC(=O)[C@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)c1ccccc1 22989409 INATUWVPZNUQOY-WCQYABFASA-N 321.373 1.995 0 40 DDAB Cc1nn(-c2ccccc2)c(N)c1[C@@]1(O)C(=O)Nc2ccccc21 3252519 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Cc1cc(CS(=O)(=O)CCC(=O)NC2CCCCC2)no1 44938573 DSGUVMGXHGAEOA-UHFFFAOYSA-N 314.407 1.737 0 40 DDAB C[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)[C@@H]1CCCO1 27894047 UETMGEGRHXRHIM-OCCSQVGLSA-N 316.357 1.787 0 40 DDAB O=c1ccnc2sc(NCCCNC3CCCCC3)nn12 58312276 HIOLGXMSLYMVFF-UHFFFAOYSA-N 307.423 1.875 0 40 DDAB CC(C)[C@@H](CNC(=O)CCNc1ccccc1)N1CCOCC1 58421442 CELGDZIJDCFMRR-QGZVFWFLSA-N 319.449 1.962 0 40 DDAB Cc1cc(=O)n2nc(NCCCOC[C@H]3CCCO3)sc2n1 48325558 LVNMWLSNSPTJPT-LLVKDONJSA-N 324.406 1.457 0 40 DDAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)NC1CC1 7621691 DEPZPDUVBGWSSE-JTQLQIEISA-N 318.329 1.195 0 40 DDAB NC(=O)c1ccc(CSc2nnnn2Cc2ccco2)cc1 11682998 VFZSRWKXTDFVNY-UHFFFAOYSA-N 315.358 1.706 0 40 DDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(F)cc1 69699546 UUPLVLSHFQCHGI-GFCCVEGCSA-N 301.339 1.454 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccno1 3447574 XFRFEOSKVKNVJG-UHFFFAOYSA-N 321.358 1.711 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](n2ccnc2)C1 69698973 WIOQVPNYMZRNKN-ZNMIVQPWSA-N 307.394 1.631 0 40 DDAB COC(=O)[C@](O)(NC(=O)OCc1ccccc1)C(F)(F)F 3622589 MOLRVRSQBNZTTO-LLVKDONJSA-N 307.224 1.337 0 40 DDAB CN(CCNC(=O)C1CCN(CC(F)(F)F)CC1)C1CC1 63116790 QAHPSAFPQGAHNP-UHFFFAOYSA-N 307.360 1.471 0 40 DDAB COC(=O)c1sccc1-n1cccc1C(=O)N1CCOCC1 4060825 CKYYXLUKNBEVRT-UHFFFAOYSA-N 320.370 1.798 0 40 DDAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)NCc2cccs2)no1 64811611 OMVYUNKVQVMLNJ-WVDJIFEKSA-N 312.416 1.998 0 40 DDAB CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1 4307013 FEECDOSESTYDCV-UHFFFAOYSA-N 319.369 1.398 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCS[C@H](C)C1 65517182 ABJQRHCJBDSDIL-VXGBXAGGSA-N 320.480 1.155 0 40 DDAB CCc1ncncc1C(=O)NCCNC(=O)c1ccccc1F 65512636 VJWBCATVZOUEPM-UHFFFAOYSA-N 316.336 1.338 0 40 DDAB Cc1cccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 65521912 XRFNGSHRACTSQO-CYBMUJFWSA-N 315.348 1.603 0 40 DDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C 14135507 CEANYZFSPQHOIA-UHFFFAOYSA-N 315.299 1.781 0 40 DDAB Cc1cc(C)cc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 4550364 RPTLTDDKNQZBBV-UHFFFAOYSA-N 314.345 1.380 0 40 DDAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)Cc1ccccc1 14250083 MZLPLAUOARMKOP-UHFFFAOYSA-N 307.419 1.999 0 40 DDAB Cc1nnc2ccc(N3CCN(Cc4cscn4)CC3)nn12 69370654 CRXMETHCZRKZAH-UHFFFAOYSA-N 315.406 1.211 0 40 DDAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(N)=O 5786027 BLZFFXJSKOCGJV-MWLCHTKSSA-N 324.764 1.106 0 40 DDAB C[C@@H]([C@@H](C)NCc1cccc(OCC(N)=O)c1)n1cccn1 69969852 PPOAZKUPBPNXTK-OLZOCXBDSA-N 302.378 1.487 0 40 DDAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCNC1=O 8778827 QLISPEZJLGZCIQ-UHFFFAOYSA-N 310.766 1.860 0 40 DDAB CN1C(=O)COc2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc21 71285463 ZEYDBAFKDFMGGB-QWHCGFSZSA-N 318.329 1.337 0 40 DDAB C[C@@H](O)CCNS(=O)(=O)c1ccc(Br)cc1 84637301 MJVIVMOZQSTEGN-MRVPVSSYSA-N 308.197 1.498 0 40 DDAB CN(C)c1nc(N)nc(CN(Cc2ccsc2)C2CC2)n1 83169486 CHGVTSVNMQJCMK-UHFFFAOYSA-N 304.423 1.746 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)n2ccnc2)C[C@H]1N1CCOCC1 84735653 BDSHWZZAHMBHBU-RBSFLKMASA-N 306.410 1.013 0 40 DDAB CCc1ccc(CC)c(NCC(=O)N[C@H](C)C(=O)N(C)C)c1 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1.897 0 40 DDAB CS[C@H](CO)[C@H](C)NC(=O)c1ccc2nc(S)oc2c1 152465071 QZPJORJMQOZNJM-WRWORJQWSA-N 312.416 1.959 0 40 DDAB Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)nc(N(C)C)n1 72241201 PKUVWOZCPQBEGN-UHFFFAOYSA-N 314.345 1.510 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)N1 85481641 GIAUNTQUZOPDHY-UONOGXRCSA-N 300.358 1.529 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)[C@H](C)O)CC1 95964822 HJLDZAIPEZMCHV-CVEARBPZSA-N 319.449 1.629 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 89289771 ABEZXQYKSFRXAK-SNVBAGLBSA-N 305.338 1.186 0 40 DDAB COc1ccc(CNC(=O)C(=O)Nc2cccc(O)c2)cc1 9913971 NJNQBPBFPZWIDI-UHFFFAOYSA-N 300.314 1.656 0 40 DDAB CSC[C@@H](CCO)NS(=O)(=O)c1cnc(Cl)c(C)c1 89591534 IXHSFHDQKWRLPS-SECBINFHSA-N 324.855 1.436 0 40 DDAB Cn1c(=O)n(CC(=O)NCCc2ccccn2)c2ccccc21 25006586 WNMBJKIBEWEMKB-UHFFFAOYSA-N 310.357 1.094 0 40 DDAB Cc1cc(O)nc(N2CCC[C@@H](Nc3nnc(C)c(C)n3)C2)n1 1548521174 RORWNLBRGYCYBQ-GFCCVEGCSA-N 315.381 1.373 0 40 DDAB COc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4223148 DEVCHMZFLMYXLF-SOUVJXGZSA-N 317.389 1.423 0 40 DDAB O=C(O)[C@H](c1ccc(F)cc1)N1CCC[C@H](n2ccnn2)C1 514865790 CCKYRPLWWABLIT-KBPBESRZSA-N 304.325 1.880 0 40 DDAB NCC(=O)N(C[C@H]1CCCCN1Cc1ccccc1)C1CC1 79404327 SUPNLPDNTQRDGO-QGZVFWFLSA-N 301.434 1.991 0 40 DDAB Cc1cc(CNS(=O)(=O)c2ccccc2)nc(N(C)C)n1 188288223 QFWBMQANIHFPQQ-UHFFFAOYSA-N 306.391 1.330 0 40 DDAB Cc1c(C(=O)NCc2ccc(F)cc2)c(C)n2cn[nH]c(=O)c12 71328613 ITYJEUYCCZICQJ-UHFFFAOYSA-N 314.320 1.709 0 40 DDAB C[C@@H](CCN1CCOCC1)NC(=O)CO[C@@H]1CCC[C@@H](C)C1 79310534 ABRDHZFHUWCCNY-OWCLPIDISA-N 312.454 1.809 0 40 DDAB Cc1ccc2nc(C)c(C(=O)NCCCN3CCOCC3)n2c1 71476667 TYEGIVSXLHNJLW-UHFFFAOYSA-N 316.405 1.403 0 40 DDAB O=C(CN1CCC[C@H](O)C1)NCCc1c[nH]c2ccccc12 39987711 DXGKRBQJDGXGSF-AWEZNQCLSA-N 301.390 1.283 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241891 MCRUEIPRYRPHCE-ZFWWWQNUSA-N 308.353 1.498 0 40 DDAB CCOCCCNC(=O)[C@@H](C)Cn1cc(Br)cn1 32611163 BCHDLGIITADGAC-JTQLQIEISA-N 318.215 1.825 0 40 DDAB CC1(C)Oc2cc(S(=O)(=O)NCC3CC3)ccc2NC1=O 46088683 SXFCWHJYOFHJTC-UHFFFAOYSA-N 310.375 1.484 0 40 DDAB OCCc1ccc(NCc2cnc(N3CCOCC3)nc2)cc1 86257578 FBOISZFQCYYOFD-UHFFFAOYSA-N 314.389 1.460 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 48363862 XQLDDNODBPSLRV-CXAGYDPISA-N 320.389 1.701 0 40 DDAB C1CO[C@H](COB(OC[C@H]2CCCO2)OC[C@H]2CCCO2)C1 195751731 MCTPAFAHCPKXRC-KFWWJZLASA-N 314.187 1.558 0 40 DDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@@H]3CCOC3)c2)C1 88717445 JMQCDLHMEOLJFJ-IAGOWNOFSA-N 317.433 1.262 0 40 DDAB CC[C@H](CNC(=O)NCc1ncnn1C)Oc1cccc(F)c1 84643121 LCTKZJFLHDGTMA-GFCCVEGCSA-N 321.356 1.611 0 40 DDAB Cn1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)n1 44873091 GHDKNYOPRGXXKY-UHFFFAOYSA-N 314.345 1.564 0 40 DDAB COC(=O)C1CCN(C(=O)Cc2ccc(OC)c(C)c2)CC1 225285563 XXBWCXMLTFCHIO-UHFFFAOYSA-N 305.374 1.958 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCn1cc(C)cn1 195530481 VRNUTACEQCGNGE-VIRABCJISA-N 305.378 1.286 0 40 DDAB C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)c1ccc2ccccc2n1 193934247 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315.373 1.895 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(C(=O)COc1ccccc1C)C2 248044533 WMJHIQQCQQXZJR-CQSZACIVSA-N 305.374 1.780 0 40 DDAB CN(C)C(=O)c1cnc([C@@H]2CCCN2c2ncccn2)s1 257286242 PKVXUEDHRCDPKK-JTQLQIEISA-N 303.391 1.976 0 40 DDAB CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O 257261637 LIFIFTOXTDAZJK-XJKCOSOUSA-N 307.390 1.363 0 40 DDAB O=S(=O)(c1cccs1)N1CCO[C@H](c2cnccn2)C1 257235708 GZAMJMZAAQDSQQ-NSHDSACASA-N 311.388 1.300 0 40 DDAB COCCNc1cc([C@H]2CCN2C(=O)c2cc[nH]n2)nc(C)n1 257315405 VBDUSCPADJWZSJ-CYBMUJFWSA-N 316.365 1.154 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257327708 XCJAPIKRRJPATC-ZDUSSCGKSA-N 313.361 1.599 0 40 DDAB CN1CCN(C(=O)c2cc(O)nc(O)n2)C[C@H]1c1ccccc1 257295879 RAGJPMIITHDVGX-ZDUSSCGKSA-N 314.345 1.017 0 40 DDAB C[C@@H](c1nnnn1C1CCCCC1)N1CCN(CCO)[C@H](C)C1 252572570 ZKSASEAYAOFYIA-KGLIPLIRSA-N 322.457 1.238 0 40 DDAB CCOC(=O)N1CCC[C@H](c2nc(Cc3ccon3)no2)C1 273795648 DVIKUHRYSAXNNY-JTQLQIEISA-N 306.322 1.984 0 40 DDAB NC(=O)C1=CC=C[C@H]2N=C(c3ccc([C@@H]4CCCN4)cc3F)N=C12 299803667 NIXFYCOPCLXHTK-LSDHHAIUSA-N 324.359 1.802 0 40 DDAB CC(C)C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575403246 GAMVLPWTZUFKAD-BFHYXJOUSA-N 322.430 1.607 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCCN(c3ccncn3)C2)C1 585101294 WCMDKNAHVPRWBM-MRXNPFEDSA-N 317.393 1.459 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)[C@@H]1O 585285992 GUKSQYQHHGCUET-OAGGEKHMSA-N 316.357 1.082 0 40 DDAB CCC(CC)NC[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O 585283634 FTZQXTUBSDIFJK-FUHWJXTLSA-N 320.433 1.403 0 40 DDAB O=C(NCc1ccc(Br)o1)N1CCC[C@H]1CO 187416866 HBLOMONIEKJTJE-QMMMGPOBSA-N 303.156 1.708 0 40 DDAB Brc1cnn(Cc2nnnn2-c2ccccc2)c1 77956015 SHCDPQYPEPRABW-UHFFFAOYSA-N 305.139 1.670 0 40 DDAB CNC(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 15764427 NSAHHRKSGJUPJH-UHFFFAOYSA-N 321.340 1.879 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1 16321367 QHDWIRMETNMGCB-UONOGXRCSA-N 312.391 1.227 0 40 DDAB CCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O 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Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2s1 32917515 QVDCKOOLYADNET-UHFFFAOYSA-N 300.361 1.310 0 40 DDAB Cc1cnc(C(=O)NCCNC(=O)c2ccccc2Cl)cn1 32914854 STXIDVIIUOBJGB-UHFFFAOYSA-N 318.764 1.598 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 69901565 UMFMQXQEORFMSY-JKSUJKDBSA-N 318.421 1.674 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1 57355872 MXQZKJSYKRPLSJ-HZPDHXFCSA-N 302.374 1.597 0 40 DDAB O=S(=O)(NCc1cccnc1-n1cccn1)c1cccs1 41627102 XBSDYKCDJPLWAK-UHFFFAOYSA-N 320.399 1.807 0 40 DDAB COC(=O)c1sc2nc(Cc3ccno3)[nH]c(=O)c2c1C 22151828 IAMZOKVBDZJUIV-UHFFFAOYSA-N 305.315 1.658 0 40 DDAB Cc1nc(C2(NC(=O)c3ccc(=O)[nH]c3)CCCCC2)no1 41933703 OOKNXBFFTTYCQZ-UHFFFAOYSA-N 302.334 1.656 0 40 DDAB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3cncc(F)c3)CC2)C1 108526782 VXMNUQOAOQLBEH-OAHLLOKOSA-N 321.396 1.936 0 40 DDAB Cn1cc(CCNC(=O)NC[C@H]2Cc3ccccc3O2)cn1 46875783 YTYVPAJZWVHAFA-CQSZACIVSA-N 300.362 1.266 0 40 DDAB O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCNCC1 12391437 VVKPSDKQDCDORS-NSHDSACASA-N 307.781 1.125 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)cc1C 9288426 ZWQNXDKZYOCXLC-NEPJUHHUSA-N 322.386 1.317 0 40 DDAB c1nc(N[C@@H]2C[C@@H]3CC[C@@H]2O3)cc(N[C@@H]2C[C@@H]3CC[C@@H]2O3)n1 102290742 REYVTHJIPMOLLX-GHEKHTLGSA-N 302.378 1.940 0 40 DDAB C[C@@H](NS(C)(=O)=O)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217781 WYMHDULKZLRSJQ-MRVPVSSYSA-N 312.395 1.343 0 40 DDAB NC(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1 24996412 SXLVGZLIDWGWPS-UHFFFAOYSA-N 305.334 1.156 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)NCCn2ccnc2)c1 43310747 AKVPAKXBPVQROL-GFCCVEGCSA-N 318.377 1.961 0 40 DDAB O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1nnc[nH]1 97165110 RRKHJQNCKFLOJC-UHFFFAOYSA-N 306.269 1.765 0 40 DDAB COC(=O)CN1CCC(Nc2ccc(-n3cncn3)cc2)CC1 97162176 HGDSECSQGLZBCW-UHFFFAOYSA-N 315.377 1.317 0 40 DDAB Cc1csc([C@@H](C)CNC(=O)N[C@@H]2CCN(C(C)C)C2=O)n1 97110110 UIAFNYGQPSHZOB-CMPLNLGQSA-N 324.450 1.864 0 40 DDAB O=C1NCCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCO2 35255840 MSOFWCXNUSUHKU-GFCCVEGCSA-N 310.781 1.870 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2nccs2)CC1)[C@H]1CCCO1 26399875 OONUPYSNCUZTIS-VXGBXAGGSA-N 310.423 1.542 0 40 DDAB C[C@H](NC(=O)N1CCN(c2nccs2)CC1)[C@H]1CCCO1 26399878 OONUPYSNCUZTIS-NWDGAFQWSA-N 310.423 1.542 0 40 DDAB CCN1CCC[C@H]1CNS(=O)(=O)c1cccnc1Cl 35358139 YKDAEMVKGIFSMO-JTQLQIEISA-N 303.815 1.498 0 40 DDAB Cn1ncc2c(N[C@@H]3CCCN(c4ncccn4)C3)ncnc21 52427005 URZIRZYDGRLKNX-LLVKDONJSA-N 310.365 1.234 0 40 DDAB Cc1cnn(-c2ccc(C(=O)N3CCS(=O)CC3)cc2)c1 108274743 ARUCKCQWOHTIMC-UHFFFAOYSA-N 303.387 1.385 0 40 DDAB CCC[C@@H](NC(=O)[C@@H](C)N1CCNC(=O)C1)c1ccccc1 57577003 RJRDIXNAHSBFDC-UKRRQHHQSA-N 303.406 1.464 0 40 DDAB CCN1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)CC1 27974440 ZWEPDCVXMHOLJU-GFCCVEGCSA-N 306.362 1.347 0 40 DDAB O=C(CN1CSCC1=O)Nc1ncccc1OC(F)F 57697509 NXZXZWCIOAXARJ-UHFFFAOYSA-N 303.290 1.154 0 40 DDAB O=C(O)CCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 35686921 ZWFLRSUWSHUWSI-UHFFFAOYSA-N 310.781 1.501 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136241 AUOMKDDYFLGLTE-XJKSGUPXSA-N 300.402 1.922 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)OCC(F)(F)F 57975679 IZERFGRZPQMBGD-VHSXEESVSA-N 324.299 1.445 0 40 DDAB COc1ccc(CNC(=O)Cn2cccc2C=O)cc1OC 72331927 NLVAKSCLLUKXMV-UHFFFAOYSA-N 302.330 1.634 0 40 DDAB CC(C)Cc1nnc(NC(=O)CN2CCSC2=O)s1 44872315 KUXIGHHBVYCLSX-UHFFFAOYSA-N 300.409 1.844 0 40 DDAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)CO)cc1 27693694 VCANRRDJDJQTJT-AWEZNQCLSA-N 312.369 1.989 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2ccoc2C)cc1 58245529 IARYHDBVCWACBF-OAHLLOKOSA-N 316.357 1.476 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCc1ccc(N(C)C)cc1 36111687 WXVGDJKPMFHTRI-UHFFFAOYSA-N 323.418 1.878 0 40 DDAB Cc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cn1 44970466 BORSBVOMGPZLQK-UHFFFAOYSA-N 312.377 1.212 0 40 DDAB CN1CCN(Cc2ccc(NC(=O)COCC3CC3)cc2)CC1 58344094 PZYNDJFKNWODMM-UHFFFAOYSA-N 317.433 1.799 0 40 DDAB COC(=O)c1ccc(Nc2ccc(N3CCOCC3)cc2)nn1 48236585 DYJBMUQVQIDREC-UHFFFAOYSA-N 314.345 1.843 0 40 DDAB CCOC(=O)N1CCN(CC(=O)N[C@H](C)c2ccccc2)CC1 36390152 DWGPHNZPXAVMEK-CQSZACIVSA-N 319.405 1.638 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)COCc1ccccc1 48333766 XUSKCTAVTKWOHY-CABCVRRESA-N 318.373 1.381 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cccc(F)c1 12971987 SCUULMGWMLDITD-UHFFFAOYSA-N 305.353 1.318 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 13005245 KPFICUZFUYLFER-RYUDHWBXSA-N 318.373 1.650 0 40 DDAB O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCNCC1 38478375 UGAYGSJRKGXOEM-QWHCGFSZSA-N 309.207 1.984 0 40 DDAB C[C@H]1C[C@H]1CNC(=O)NCc1ccnc(N2CCOCC2)c1 48869696 DOLLWHJOEPOLRO-JSGCOSHPSA-N 304.394 1.373 0 40 DDAB CCOc1cccc(C(=O)NC[C@H](C)N2CCN(C)CC2)c1 69658363 AWSBMBPIIVMFKY-AWEZNQCLSA-N 305.422 1.451 0 40 DDAB O=C1Cc2cc3c(cc2N1)NC(=O)/C3=C1/C(=O)Nc2ccccc21 24716913 NFVZIVIFXUOXAM-FOCLMDBBSA-N 317.304 1.996 0 40 DDAB NC(=O)CCCNC(=O)Cc1csc(Cc2ccccn2)n1 49759137 SIIKPQFWPDWCLZ-UHFFFAOYSA-N 318.402 1.053 0 40 DDAB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O 4218165 BXPACRLYOPBGRM-INIZCTEOSA-N 302.330 1.706 0 40 DDAB CCc1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)C2 69700117 WJSWSYIUAQPLPG-UHFFFAOYSA-N 300.362 1.628 0 40 DDAB CN1CCN(c2cc3c(nn2)N2CCN3c3ccccc32)CC1 4350852 LPIJIMLEVPALJG-UHFFFAOYSA-N 308.389 1.832 0 40 DDAB C[C@H](O)CN1CCN(CCC(=O)N[C@H](C)c2ccccc2)CC1 69899251 NDCFXXIUOROBLL-JKSUJKDBSA-N 319.449 1.252 0 40 DDAB CC1CCC(C)(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 69849319 VRPUCJAWOUGJNV-UHFFFAOYSA-N 315.373 1.915 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@H]2CCCO2)c1 65409044 HFSWLCPJKTUGFD-OCCSQVGLSA-N 324.377 1.215 0 40 DDAB CC(C)[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1cccs1 65488228 VLLBKUACOIEFMO-CYBMUJFWSA-N 321.406 1.949 0 40 DDAB CCc1ccc(-c2nc(C(=O)N(C)CC(N)=O)cs2)cc1 65523028 AKOHFSFKHGRJFB-UHFFFAOYSA-N 303.387 1.930 0 40 DDAB OCc1nnn(-c2ncc(C(F)(F)F)cc2Cl)c1CO 5756632 OTGBKMZZJLQHKG-UHFFFAOYSA-N 308.647 1.319 0 40 DDAB CCNC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 68238530 IOVVMSKGQUDXSG-UHFFFAOYSA-N 309.797 1.756 0 40 DDAB COc1ccc(CNC(=O)c2nccnc2C(=O)O)cc1OC 71280393 YAGSQBVFBIZRFN-UHFFFAOYSA-N 317.301 1.122 0 40 DDAB CC(C)NC(=O)[C@H]1CCCN(c2nc3ncnc(O)c3s2)C1 71289436 XTXPPMZOMDCDNG-VIFPVBQESA-N 321.406 1.533 0 40 DDAB O=C(COC(=O)c1ccoc1)NCc1ccc2c(c1)OCO2 16157029 WZNAXVAOOJVWFC-UHFFFAOYSA-N 303.270 1.482 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2)cc1 9364389 FFAWKMXBVNZGJE-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB CC[C@@H](CO)N1CCN(Cc2sc(N(C)C)nc2C)CC1 93740329 WLDSDZSHMIIVBX-ZDUSSCGKSA-N 312.483 1.406 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 9481530 OHRBAFYCAPUXEZ-MNOVXSKESA-N 316.835 1.989 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@@H]1c1cnn(C)c1 71799306 DNAAYJOPBMEJTK-OAHLLOKOSA-N 302.378 1.809 0 40 DDAB CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)on1 96412833 DFLDLHXFFZFBKI-UWVGGRQHSA-N 300.380 1.446 0 40 DDAB Cc1ccc(N2CCCN(C(=O)C[C@@H]3CCCO3)CC2)nn1 71860376 SLCFXFWYKCBNGL-AWEZNQCLSA-N 304.394 1.393 0 40 DDAB Cc1nnc2n1CCN([C@@H](C)C(=O)NCCc1cccs1)C2 71877621 GCBZDQUPIUJCPX-NSHDSACASA-N 319.434 1.211 0 40 DDAB CCN(Cc1cccs1)c1ncnc2c1cnn2CCO 97200171 GNRLGLOBTWWNGI-UHFFFAOYSA-N 303.391 1.907 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(F)cc3)C[C@]23C=C[C@H]1O3 4099747 GFJJPJYMGSTRIF-OQMKEHIESA-N 303.289 1.192 0 40 DDAB COC(=O)CCN1CCN(Cc2nc3ccccc3[nH]2)[C@H](C)C1 97099209 BQXZAHUCUBHHMY-CYBMUJFWSA-N 316.405 1.632 0 40 DDAB COc1ccc(C(=O)NCC2(C3CC3)CC2)cc1-n1cnnn1 97081380 PBVFWYIIHKSQHS-UHFFFAOYSA-N 313.361 1.591 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1-n1cnnn1 97081379 JBINIPOJVVMYNI-NSHDSACASA-N 303.366 1.835 0 40 DDAB CCS(=O)(=O)CCN1CCN(Cc2ccccc2F)CC1 95398561 RRIJYQQFRLYBPD-UHFFFAOYSA-N 314.426 1.378 0 40 DDAB CC(C)COCCC(=O)Nc1cccc(C(=O)NCC(=O)O)c1 95389900 DZTDEUMZJCFFPN-UHFFFAOYSA-N 322.361 1.502 0 40 DDAB O=C(c1cn2cccnc2n1)N1CCC[C@H]1c1noc(C2CC2)n1 84614943 MQZSIKGBSILNLR-LBPRGKRZSA-N 324.344 1.967 0 40 DDAB Cc1ccsc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 98010398 WWJQCOIQOINXTI-LLVKDONJSA-N 304.375 1.325 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)NCCCO)cn2)C[C@H](C)O1 95949489 JSXKXAWOZKWFIR-RYUDHWBXSA-N 308.382 1.199 0 40 DDAB CNC(=O)c1ccc(CNC(=O)NCc2c[nH]nc2C)cc1 95950647 LDYNIDZWBWLURC-UHFFFAOYSA-N 301.350 1.077 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CCCN(CC3(CO)COC3)C2)nc1 89129176 SWKIGPFORYYTFE-AWEZNQCLSA-N 319.405 1.049 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(O)cc1 9914726 DVANJAYXIYPXDK-UHFFFAOYSA-N 314.297 1.376 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)c(=O)[nH]1 75121805 HMVHFIWFVWWAOC-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB CC(C)[C@@H](O)CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 89791261 WRJVODUJQPLDBS-KBPBESRZSA-N 324.808 1.969 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(Cc3ncc[nH]3)C2)C1=O 89869781 OCNMZNLLQOLIPP-BLLLJJGKSA-N 319.409 1.341 0 40 DDAB O=C(O)[C@H]1Cc2nc[nH]c2[C@@H](c2cccc(Br)c2)N1 22107340 YPGQWOXJMNJVIU-GHMZBOCLSA-N 322.162 1.861 0 40 DDAB O=C(N1CC2(C1)OCC[C@@H]2COc1cccnc1)C1(F)CC1 306140418 UTGSHGKSGLJWIH-GFCCVEGCSA-N 306.337 1.580 0 40 DDAB Cc1cc([C@@](C)(O)CNc2cnn(C)c(=O)c2Cl)c(C)o1 78308491 BZQYFCRHSARHAG-AWEZNQCLSA-N 311.769 1.963 0 40 DDAB Cn1ccc(S(=O)(=O)N[C@H]2CCCCCC[C@@H]2C(=O)O)n1 521039584 FCQMFDZVBZJSOR-QWRGUYRKSA-N 315.395 1.122 0 40 DDAB CCN1CCN(CCC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 74232090 GZPYWWDYGRDCBE-RHSMWYFYSA-N 311.470 1.334 0 40 DDAB NC(=O)c1cccc(-c2nccc([C@H]3CCCN3CCO)n2)c1 72355777 DUIRQDLLRMISAS-OAHLLOKOSA-N 312.373 1.372 0 40 DDAB COc1ccc(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1 40286998 YEWXLZMKLCVRJK-UHFFFAOYSA-N 316.361 1.300 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72385984 VESQEEFYHFTURG-LLVKDONJSA-N 309.395 1.020 0 40 DDAB COCc1cccc(S(=O)(=O)NCc2cnn(C)c2C)c1 72240278 LEDXRASVBOYNID-UHFFFAOYSA-N 309.391 1.353 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc2c(c1)CCCO2 567921334 MWQIQHJNJMZYAS-AWEZNQCLSA-N 302.374 1.291 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 225387663 MMJHPMJPDLPUAS-LLVKDONJSA-N 317.349 1.119 0 40 DDAB CCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225725856 RXBRHYSDJMRTLM-UHFFFAOYSA-N 309.163 1.900 0 40 DDAB Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)N(C)C 225962371 JZXDIXZJJYWFAP-UHFFFAOYSA-N 319.814 1.325 0 40 DDAB CSCC[C@](C)(O)CNC(=O)C(=O)N[C@H](C)c1ccccc1 75157614 ANOIMUKINLULRV-WBMJQRKESA-N 324.446 1.484 0 40 DDAB Cn1nc(N2CCC[C@H](C(=O)Nc3cccnc3)C2)ccc1=O 85470876 QUPLFJONCRWXED-LBPRGKRZSA-N 313.361 1.030 0 40 DDAB Cn1ccnc1CNCC1(CN2CCOCC2)CCCCC1 83476669 VILRLCSKMCHVLJ-UHFFFAOYSA-N 306.454 1.792 0 40 DDAB O=C(N1CCCC1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188409 DYPXAIXKDXKXBS-HNNXBMFYSA-N 317.437 1.627 0 40 DDAB COC[C@H]1CN(C(=O)Cc2cccs2)Cc2nnn(C)c21 96198509 HGMJMSPDOXRZPI-SNVBAGLBSA-N 306.391 1.192 0 40 DDAB COc1cc(N2CCc3onc(Cn4cccn4)c3C2)ncn1 96084862 GOEDKZUJNTYVQG-UHFFFAOYSA-N 312.333 1.281 0 40 DDAB C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)n1cccn1 96422453 FFNGLLVSHWKOAK-UPJWGTAASA-N 313.423 1.258 0 40 DDAB COc1nn(C)cc1C(=O)NCCn1ccc(C(F)(F)F)n1 96098967 XWNSOGKGBNQUSL-UHFFFAOYSA-N 317.271 1.074 0 40 DDAB C[S@@](=O)c1nncn1Cc1cn(-c2ccc(Cl)cc2)nn1 95409579 CLVGYBZHSAMTCU-NRFANRHFSA-N 322.781 1.298 0 40 DDAB COCCN1C(=O)CCC12CCN(Cc1nccn1C)CC2 96228064 DEIWYLVZWZVPOX-UHFFFAOYSA-N 306.410 1.024 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CN(CC2CC2)C[C@H]2OCC[C@H]21 96038901 LYPIKFIRHLZFDF-ARFHVFGLSA-N 304.390 1.643 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1cnccn1)C2 96198050 SWIDOLHFWCBWRZ-GFCCVEGCSA-N 301.350 1.079 0 40 DDAB O=C(CC1CC1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247807324 BZQLUPDYNZEAGS-MRXNPFEDSA-N 323.433 1.990 0 40 DDAB Cc1nc(C[C@H]2CCCN(C(=O)C(C)C)C2)cc(C(N)=O)n1 257327045 WZRHXMYSECBMGC-GFCCVEGCSA-N 304.394 1.321 0 40 DDAB COCc1cccc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c1 257207769 BJDHXLFJMACCBV-MRXNPFEDSA-N 319.401 1.979 0 40 DDAB CC(=O)N1C[C@@H]2CN(Cc3nccs3)CCN2C(C)(C)C1 253396306 DPFMRGJPHCIEQP-ZDUSSCGKSA-N 308.451 1.270 0 40 DDAB biogenic,in-vitro O=C(Cn1cccn1)N1Cc2nccn2C[C@H]1c1ccccc1 257229958 GADFIOKZHOSFPN-HNNXBMFYSA-N 307.357 1.863 0 40 DDAB COC(=O)c1ccc(NC(=O)CCc2ccc(=O)n(C)n2)cc1 96123945 GXDJLLGVFOETOH-UHFFFAOYSA-N 315.329 1.138 0 40 DDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)C3(F)CCC3)C2)OC1 575403105 CXDCYJJFZPFGHK-CYBMUJFWSA-N 324.396 1.509 0 40 DDAB CO[C@]1(COc2ccccc2C)CCCN(C(=O)CCN)C1 585275131 XVXFIZNAXQVUIB-QGZVFWFLSA-N 306.406 1.730 0 40 DDAB O=C(Cc1cnc[nH]1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 585275309 AIERLNNPXQUTRV-CJNGLKHVSA-N 317.364 1.543 0 40 DDAB Cc1cccc2nc(C(=O)N3CC[C@]4(CCCO4)C(=O)C3)cn12 585288435 AFHGAUMLMDKSQX-QGZVFWFLSA-N 313.357 1.607 0 40 DDAB CCn1cnnc1CNC(=O)NCc1ccc2c(c1)OCO2 47575863 CKWPGMQWLNCACE-UHFFFAOYSA-N 303.322 1.026 0 40 DDAB CC1(C)Cc2cccc(OCCC(=O)N3CCNC(=O)C3)c2O1 48374713 IHRJJRHCZNKMDY-UHFFFAOYSA-N 318.373 1.127 0 40 DDAB COc1ccc2oc(C)c(C(=O)N3CCO[C@H](C(N)=O)C3)c2c1 50844801 JNUMVRRDMFZVNV-ZDUSSCGKSA-N 318.329 1.076 0 40 DDAB Cc1cc(C)cc(COC(=O)CN2CCS(=O)(=O)CC2)c1 58916781 VTDKIOLUXFZFAZ-UHFFFAOYSA-N 311.403 1.077 0 40 DDAB O=C(CN1CCCC[C@H]1C(=O)N1CCCC1)N1CCCCCC1 69584929 VFSLTJWGAWMMIU-INIZCTEOSA-N 321.465 1.866 0 40 DDAB CN(C)CCN(CC(=O)O)C(=O)c1ccc(F)cc1Cl 195542577 WOQUPKWFWIYJAZ-UHFFFAOYSA-N 302.733 1.568 0 40 DDAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCO3)ncn1 585359983 ALCKRSHCXMDDSJ-UHFFFAOYSA-N 305.359 1.198 0 40 DDAB O=C(NCc1nc(-c2cccnc2)n[nH]1)c1ccc(Cl)nc1 5001907 NYBXNQRCTCVNLM-UHFFFAOYSA-N 314.736 1.845 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCCN1CCC(O)(c2cccc(F)c2)CC1 12326087 FZEIAVKEDLIMGW-BBRMVZONSA-N 320.408 1.881 0 40 DDAB COc1ccc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1F 12844698 ISAGGXBSSYZUHM-RYUDHWBXSA-N 317.316 1.968 0 40 DDAB Cc1c(CC(=O)N2CCCC2)c(=O)oc2cc(O)cc(O)c12 12894048 GMHVKGLYDXDYST-UHFFFAOYSA-N 303.314 1.678 0 40 DDAB biogenic C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccnc2)oc1=O 19496237 YHJOQCYYKIYYDF-YPMHNXCESA-N 316.361 1.593 0 40 DDAB Cc1cc(C)n(CC(=O)N2CC[C@H](C(=O)N3CCCCC3)C2)n1 19748118 QWJXMWHZVMWNDS-HNNXBMFYSA-N 318.421 1.361 0 40 DDAB Cc1ccc(N2C[C@@H](NC(=O)NC(C)(C)CO)CC2=O)cc1 4359975 JAZMUGODKRHZBP-LBPRGKRZSA-N 305.378 1.170 0 40 DDAB Cc1cccc(C(=O)NC(=S)N2CCC(C(=O)O)CC2)c1 226349923 LLUSCUVTZBAPPJ-UHFFFAOYSA-N 306.387 1.806 0 40 DDAB Cn1cnnc1SCC(=O)NCCSCc1ccco1 2381205 PPLONWDPTDJROA-UHFFFAOYSA-N 312.420 1.550 0 40 DDAB CCN=c1ccnc(N2CCN(c3ncc(CC)cn3)CC2)[nH]1 1888860164 NTJBIMRHMUTTIE-UHFFFAOYSA-N 313.409 1.009 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]21 2037985274 DKHDNLSKJJNTCP-ZFWWWQNUSA-N 320.364 1.074 0 40 DDAB CC[C@@H]1CO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 1565545983 SXHZHIPLNWVQFM-ZBEGNZNMSA-N 303.362 1.212 0 40 DDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 1565555974 LFSPGPABVLVWGW-HUUCEWRRSA-N 308.422 1.269 0 40 DDAB CC(C)N1C[C@@]2(COCCN(Cc3ccncc3)C2)CC1=O 1565542186 FRPZHHJELLVYBM-QGZVFWFLSA-N 303.406 1.541 0 40 DDAB CCC[C@H](C)N1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 1565542815 UZIQVZUNMICFJW-DZGCQCFKSA-N 316.467 1.144 0 40 DDAB CCN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 4359852 UEOUSPBJTZMBDB-CQSZACIVSA-N 316.405 1.139 0 40 DDAB COc1ccc(Cc2nc(-c3nonc3N)no2)cc1OC 4784762 NCRAEROLPUJRLK-UHFFFAOYSA-N 303.278 1.310 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1sccc1C 585306145 KSZUTLQBSKJWSM-RYUDHWBXSA-N 311.403 1.778 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccccc2Cl)CC1 17119334 CWOAOGXDXMWESY-UHFFFAOYSA-N 317.776 1.991 0 40 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0 40 DDAB O=C(C1CC1)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100121178 KMJBJYRRXMQQKC-WFASDCNBSA-N 314.389 1.311 0 40 DDAB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccccc1 100354949 HAFNOBSOAMEJIW-CJNGLKHVSA-N 320.304 1.814 0 40 DDAB CN1CCN(CCNC(=O)/C=C/c2ccccc2Cl)CC1 69370792 OKLSXFKNEMPNKQ-VOTSOKGWSA-N 307.825 1.717 0 40 DDAB Cc1ccc([C@H](O)CN2CCO[C@H](Cn3cccn3)C2)cc1C 69372077 VGEOEZKZNAUNFM-ZWKOTPCHSA-N 315.417 1.934 0 40 DDAB O=C(NCCc1ccco1)NC[C@H]1COc2ccccc2O1 54036956 MDKFHUBLMYWRIF-ZDUSSCGKSA-N 302.330 1.961 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)on1 42871318 XZPVWQPWLXILPI-WDEREUQCSA-N 313.379 1.017 0 40 DDAB CC1(C)C[C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)CCO1 61721599 KQWBUFXMSKGKFQ-LLVKDONJSA-N 315.373 1.539 0 40 DDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 55008588 OKYJIHBVLIQLCT-MRXNPFEDSA-N 316.401 1.298 0 40 DDAB Cc1ccc(CCC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 24780031 LIFBBUILXJYSBC-UHFFFAOYSA-N 324.446 1.422 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3nccs3)C2)n1 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Cc1nc(C)c(C(=O)Nc2cnc(N3CCOCC3)nc2)s1 224250137 PZSGMGCZQRYTAW-UHFFFAOYSA-N 319.390 1.639 0 40 DDAB CCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225949684 AGSWQOGGVLPFAB-GFCCVEGCSA-N 318.826 1.847 0 40 DDAB Cn1nc2c(c1CNC(=O)c1cnn(-c3ccccc3)n1)CCC2 225817596 QGSSMDLXGDDPGF-UHFFFAOYSA-N 322.372 1.420 0 40 DDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CC3)C2)c1 96108415 KDDSDVWSIKQIBL-MJGOQNOKSA-N 314.429 1.970 0 40 DDAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4ccoc4)C[C@H]3O2)no1 96046399 QTQGRNOHIDJSOP-WCFLWFBJSA-N 303.318 1.963 0 40 DDAB Cc1ccc(OCC(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc1 96107948 NZYVXZMREKEVDJ-GOEBONIOSA-N 304.390 1.163 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C[C@@H]1CCOC1 96184587 RPIPUWPBSGSKSH-YUTCNCBUSA-N 307.419 1.468 0 40 DDAB Cc1nc(O)c2c(n1)CCN(C(=O)C1[C@H]3[C@H]4CC[C@@H](C4)[C@H]13)CC2 247939205 FSQJDEQIJMGPLA-GVARAGBVSA-N 313.401 1.710 0 40 DDAB COC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 242425592 BPXWDRQVNSJUND-WZRBSPASSA-N 302.323 1.054 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cnccn2)ccn1 257245020 INUMSFIGRXASIR-AWEZNQCLSA-N 311.345 1.807 0 40 DDAB CCCn1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)n1 257279439 OGQPTRFSCMMEEP-FVQBIDKESA-N 320.437 1.401 0 40 DDAB CN1CCC[C@@H]1C(=O)N1CCC(c2ccnc3ccnn23)CC1 257264145 LTCIPKSHZSBBLT-OAHLLOKOSA-N 313.405 1.530 0 40 DDAB Cc1n[nH]cc1CN1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257255381 KHFKUZXJWMSHBI-VNQPRFMTSA-N 312.421 1.855 0 40 DDAB Cc1cc2cc(C(=O)N3CC[C@](O)(CN(C)C)C3)ccc2o1 257292477 QLQZBBJNUWPJLT-KRWDZBQOSA-N 302.374 1.880 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 257270618 MUYJQGPLXXSVAS-LBPRGKRZSA-N 300.362 1.437 0 40 DDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)C(F)F 585111367 QNIQLWJUYJPXIE-ZDUSSCGKSA-N 321.327 1.927 0 40 DDAB CO[C@]1(COc2ccccc2)CCN(C(=O)c2cnco2)C1 585269356 QHYWSSZFGURXGB-MRXNPFEDSA-N 302.330 1.985 0 40 DDAB CC1CCN(CCNS(=O)(=O)N2CCC(C)CC2)CC1 45745029 PRPTVKNSWZOSLX-UHFFFAOYSA-N 303.472 1.285 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@@](C)(CC(C)C)C(N)=O)n1 71896848 JMUBQVRCBTUWOV-HNNXBMFYSA-N 324.450 1.592 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCNc1ccccc1 75141711 GQMYXGNPKRMMJU-GFCCVEGCSA-N 301.346 1.626 0 40 DDAB COCC(=O)N1CCC(n2nc(-c3ccoc3C)oc2=O)CC1 12184907 IYWPFENLRDRLHM-UHFFFAOYSA-N 321.333 1.215 0 40 DDAB CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccon1 14032903 OANBRMCBVGIPFQ-VIFPVBQESA-N 306.347 1.469 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1 16443238 HTXHZADDJLZRGJ-BETUJISGSA-N 320.389 1.829 0 40 DDAB O=C(CCCN1CCCC1)N1CCN(Cc2ccccn2)CC1 19401788 AVCZJOBBVHDZSL-UHFFFAOYSA-N 316.449 1.602 0 40 DDAB CCC[C@H](c1nnnn1Cc1ccco1)N1CCN(CC)CC1 19501948 XQASIHMZTFBBLC-OAHLLOKOSA-N 318.425 1.793 0 40 DDAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)N(C)C 11804562 QLVPKXUYAKBYOF-UHFFFAOYSA-N 300.380 1.798 0 40 DDAB Cc1cc(N2CCN(Cc3ccccn3)CC2)nc(N(C)C)n1 1889102949 KGMOQWJXKNYPBD-UHFFFAOYSA-N 312.421 1.568 0 40 DDAB CC(=O)Nc1nc(C2CN(C(=O)c3cnn(C)c3)C2)cs1 1848355224 XCFSYJPHSCFMJJ-UHFFFAOYSA-N 305.363 1.075 0 40 DDAB CN(C)C[C@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 257333832 YDGMKTHXDXVOLH-CYBMUJFWSA-N 318.826 1.027 0 40 DDAB Cc1ccc(CC(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)cc1 1565542433 ZPTJCKWMGREJST-CABCVRRESA-N 322.430 1.030 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2[C@H](Cn3cccc3)CC[C@@H]21 1565545823 PUKKXGMLFHKVNF-YHPRMOQLSA-N 316.401 1.387 0 40 DDAB O=C(NCc1nnnn1-c1cccc(F)c1)c1cccs1 10593670 DWYGJGPROSYMSQ-UHFFFAOYSA-N 303.322 1.793 0 40 DDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2)N1CCCC1 2055713756 HNJVIOHMCJGTOE-CYBMUJFWSA-N 316.405 1.304 0 40 DDAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2nccs2)CC1 2055708141 OZZTZCIFHCUEBN-UHFFFAOYSA-N 319.434 1.419 0 40 DDAB O=C(NC[C@@]1(OCCO)CCOC1)C1(c2ccc(F)cc2)CC1 617714731 OORPIQHUBXMCQJ-INIZCTEOSA-N 323.364 1.142 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 40527179 ZUDSCSWPDUUBKL-CYBMUJFWSA-N 312.391 1.032 0 40 DDAB Cn1ncc2c(NCCCO)nc(N3CCCCCC3)nc21 20744402 JTIBELRSANRAPY-UHFFFAOYSA-N 304.398 1.538 0 40 DDAB CC(C)S(=O)(=O)CC(=O)N1CCN(C)c2ccccc2C1 75709189 LIDIBIZNCCSKPW-UHFFFAOYSA-N 310.419 1.288 0 40 DDAB C[C@@H]1CN(Cc2cnn(C)c2)CCN1C[C@H](O)c1ccccc1 69981760 MPWBVUHRTQUEEP-QAPCUYQASA-N 314.433 1.660 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)OC3CCCC3)CCO2)n1 76045641 SNUBKRBAWWLMBE-ZWNOBZJWSA-N 308.382 1.361 0 40 DDAB Cn1ccnc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 76084295 KOXIGFJVQIGOMN-CHWSQXEVSA-N 300.362 1.465 0 40 DDAB CO[C@@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 71900065 DFGNLQFYRGROEM-ZDUSSCGKSA-N 319.405 1.486 0 40 DDAB CN1CCN(S(=O)(=O)c2cccc(F)c2)c2cnccc21 79054969 SCEMRLPQWZOGHP-UHFFFAOYSA-N 307.350 1.866 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)cc(OC)c1 494028 CRYDVIGPOZOBFB-CYBMUJFWSA-N 306.318 1.505 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccccc1F)CS2 7754179 QJOGVRTURVULAQ-SWLSCSKDSA-N 308.378 1.896 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)c2ccc3nnnn3n2)C12CCCC2 71920901 XFDWJKVMGYVFDW-VXGBXAGGSA-N 302.382 1.693 0 40 DDAB Cc1c([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)cnn1C 53800708 XVFHHMJPMSSTPQ-JTQLQIEISA-N 311.349 1.195 0 40 DDAB O=C1CN(C(=O)COc2ccc(Cl)c3cccnc23)CCN1 53853303 HGCUGSSMKARBBT-UHFFFAOYSA-N 319.748 1.225 0 40 DDAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2CCCO2)c1 23024429 PSECLGNDJINBEK-QMMMGPOBSA-N 319.766 1.323 0 40 DDAB COc1ccnc(N2CCN(c3nc4ccccc4o3)CC2)n1 54389357 DZIZPSDTPDYSHB-UHFFFAOYSA-N 311.345 1.953 0 40 DDAB CCNC(=O)c1ccc2c(c1)nc1n2CCN(CCCOC)C1 23411510 TYBSTJNHBJROAT-UHFFFAOYSA-N 316.405 1.638 0 40 DDAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCN(C)C 9951137 WKLCHWFIPFQSPD-AWEZNQCLSA-N 306.410 1.511 0 40 DDAB COC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(C)c2C)c1 9689963 COLDUTKFPCYODW-UHFFFAOYSA-N 323.374 1.624 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CN(Cc2cnn(C)c2)C(C)C)C1=O 55034448 AWDZAUZRVZBIHS-CQSZACIVSA-N 321.425 1.555 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1c(C)noc1C 102747893 LLSNJIXWQYYOCA-GVAFMPQTSA-N 320.389 1.928 0 40 DDAB COc1cc(C=O)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 12504563 KCWFKIVAGMGATB-TXEJJXNPSA-N 307.346 1.522 0 40 DDAB Cc1nc2ccccc2cc1C(=O)NCc1nnc(S)n1C 108894464 MOHFMVLRYOBKEW-UHFFFAOYSA-N 313.386 1.890 0 40 DDAB CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C)no2)c1 57996180 AKXGMSPODYUGNV-UHFFFAOYSA-N 323.374 1.211 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 12603172 RPFWYLJVNZVINS-WCQYABFASA-N 303.362 1.064 0 40 DDAB NC(=O)Cn1ccc(NC(=O)CCOc2ccc(Cl)cc2)n1 58245990 RRVUFBIVPLEIJA-UHFFFAOYSA-N 322.752 1.429 0 40 DDAB CCc1nc2ccccc2n1CC(=O)NCCC(=O)N(C)C 58225218 KWQNMELGPSFXLT-UHFFFAOYSA-N 302.378 1.193 0 40 DDAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cccn1 48273196 ODEFWYXXKZBUMM-AWEZNQCLSA-N 315.373 1.962 0 40 DDAB CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(CCOC)n1 44918967 NUKADVSQDQWQDW-STQMWFEESA-N 307.394 1.588 0 40 DDAB C[C@@H]1C[C@H]1CNC(=O)NCc1cccnc1N1CCOCC1 44954375 MXAZHVZZGPSFJE-OCCSQVGLSA-N 304.394 1.373 0 40 DDAB O=C(Nc1ccccc1OC(F)F)N[C@H]1CCS(=O)(=O)C1 58342757 MTZFETZFNOAVOI-QMMMGPOBSA-N 320.317 1.597 0 40 DDAB CCOc1ccccc1NC(=O)CSc1nnc(N)n1C 28047533 PGZKWQHREOAIJZ-UHFFFAOYSA-N 307.379 1.527 0 40 DDAB CN(C(=O)CN1CCN(c2nccs2)CC1)c1ccccc1 36491423 WBWRPQJZDUYARY-UHFFFAOYSA-N 316.430 1.928 0 40 DDAB CN1CCC[C@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)C1 72301605 GLMZAGLSPYLCEB-KRWDZBQOSA-N 312.417 1.889 0 40 DDAB C[C@H](NC(=O)CCn1cccn1)c1nnc2n1CCCCC2 42497392 WAFUTCYFLJZMEH-LBPRGKRZSA-N 302.382 1.469 0 40 DDAB COC[C@H](C)S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C 72300190 KPJVDYWOWSZUHV-WCQYABFASA-N 301.412 1.021 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 171778239 LTWLWXSMQPTJCI-LBPRGKRZSA-N 307.375 1.876 0 40 DDAB c1ccc(-n2nnnc2NC[C@H]2COc3ccccc3O2)cc1 3343022 HLEJIKKHSMASRQ-ZDUSSCGKSA-N 309.329 1.914 0 40 DDAB CNC(=O)C1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 29163214 INDRRJVKEFFEPD-ZDUSSCGKSA-N 315.417 1.422 0 40 DDAB COCCCNC(=O)C1CN(c2nc3ccccc3s2)C1 62166594 BGDDBXKKMNSQEV-UHFFFAOYSA-N 305.403 1.885 0 40 DDAB O=S(=O)(CCN1CCC(CO)CC1)c1ccc(Cl)cc1 46090546 PXYAJEVLSHUOMA-UHFFFAOYSA-N 317.838 1.818 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)N1CCOCC1 3486936 GPYRCXKAEIPHAT-UHFFFAOYSA-N 316.357 1.503 0 40 DDAB COc1ccc(C(=O)NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 18708356 GRTWWXYOPQPNIZ-VXGBXAGGSA-N 306.362 1.061 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 92771032 HGABLNHNVPQODT-GFCCVEGCSA-N 321.402 1.322 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 6377085 QMRHMXLCXWKVPZ-UHFFFAOYSA-N 304.346 1.848 0 40 DDAB O=C(Nc1cccnc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9060330 OJCDSMMEVWGZTI-UHFFFAOYSA-N 323.360 1.603 0 40 DDAB CCOc1ncnc2c1CN(CC(=O)Nc1cc(C)no1)CC2 65454373 FFJOWZLGLHBMRR-UHFFFAOYSA-N 317.349 1.169 0 40 DDAB O=C(Cc1ccccc1)NCCNC(=O)c1scnc1Cl 65402255 ZKGNFDZHYZZQPO-UHFFFAOYSA-N 323.805 1.885 0 40 DDAB O=C(NCCN1CCOCC1)c1ccn(-c2ccccc2F)n1 65412450 MVMXDTVSJNEOEG-UHFFFAOYSA-N 318.352 1.073 0 40 DDAB NC(=O)c1cnc(NC(=O)COc2ccc3c(c2)CCC3)s1 14169906 GWCGMRWCSAPDIJ-UHFFFAOYSA-N 317.370 1.748 0 40 DDAB Cc1cc(F)ccc1NC(=O)CCN1C(=O)NC(C)(C)C1=O 14122249 ZDLYJBYFXOMLFS-UHFFFAOYSA-N 307.325 1.793 0 40 DDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN2CCCC[C@@H]2C1 71839808 WSOBNXZUCMQPPU-OAHLLOKOSA-N 311.389 1.578 0 40 DDAB COc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 14202125 AHVGONCXPAFOFP-TXEJJXNPSA-N 314.407 1.139 0 40 DDAB CCOCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 14251989 YSEHHELCVFPWBU-UHFFFAOYSA-N 314.407 1.093 0 40 DDAB Nn1c(SCC(=O)O)nnc1-c1cc(-c2ccccc2)n[nH]1 9109949 ZDLBQAXTWFTHSE-UHFFFAOYSA-N 316.346 1.226 0 40 DDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cccnc1 66221344 YQEAXHUVRIIHRU-UHFFFAOYSA-N 300.318 1.049 0 40 DDAB CN(C)c1nc(N)nc(CN(C)c2cc(-c3ccccc3)[nH]n2)n1 83170365 KBYXYYSFVIXDIP-UHFFFAOYSA-N 324.392 1.546 0 40 DDAB O=C(COC(=O)C1=COCCO1)N[C@@H]1CCCc2ccccc21 4871202 XDOKRVGSRROQSS-CQSZACIVSA-N 317.341 1.612 0 40 DDAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)N2)cn1 66759560 QZXZNKMOQOPXNK-SNVBAGLBSA-N 320.349 1.646 0 40 DDAB Cc1noc(C)c1COC(=O)CNC(=O)c1ccccc1F 6886348 YAQKCXWMDDOLIC-UHFFFAOYSA-N 306.293 1.904 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)CCCn1cccn1)C2 71864933 LFJUEOKBSWFMBJ-UHFFFAOYSA-N 302.382 1.421 0 40 DDAB O=C(CCn1cncn1)N[C@H]1CCN(c2ccc(F)cc2F)C1 71883538 XSSFOKIQBTWMDC-LBPRGKRZSA-N 321.331 1.342 0 40 DDAB CN(Cc1coc2ccccc12)C[C@@H](O)CN1CCOCC1 93583227 KDLJIHRTLXEKDC-OAHLLOKOSA-N 304.390 1.558 0 40 DDAB Cc1cccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 8206833 IOKKPSUBBLXIRV-UHFFFAOYSA-N 309.325 1.637 0 40 DDAB COCCn1ccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)n1 69382779 AFSIJUKVZGACIM-SNVBAGLBSA-N 322.390 1.348 0 40 DDAB C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1-n1cnnn1 69322374 OCXONQFSGJLORK-OLZOCXBDSA-N 315.377 1.740 0 40 DDAB CCOCCN1CCN(Cc2nccn2CC(F)(F)F)CC1 69417962 NUCFPPWYALRLKU-UHFFFAOYSA-N 320.359 1.600 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3cn4ccsc4n3)CCO2)c1 69511247 ONBJLCZTONIIHK-CQSZACIVSA-N 317.418 1.802 0 40 DDAB O=C(CCn1cccn1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91765828 LNYOLLYXWQNXAK-DOMZBBRYSA-N 321.327 1.886 0 40 DDAB COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1F 9450290 AYEVVLALNAGRHO-SNVBAGLBSA-N 301.339 1.093 0 40 DDAB Cc1cnn(C[C@H](C)N[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 69773892 LLAWFSJHUONGMC-XQLPTFJDSA-N 308.426 1.194 0 40 DDAB CC(C)Oc1ccccc1CC(=O)N1CC[C@@H](OCC(N)=O)C1 72312700 LWAPTTPLGAOBCL-CQSZACIVSA-N 320.389 1.119 0 40 DDAB Cc1cc(CS(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)on1 72275139 LBOTXXLJFXQYMC-STQMWFEESA-N 300.380 1.456 0 40 DDAB CN(Cc1ccncc1)C(=O)CNC(=O)c1ccc(Cl)cn1 95398825 GJFNQDDAKZZIHM-UHFFFAOYSA-N 318.764 1.518 0 40 DDAB C[C@H]1c2cccn2CCN1C(=O)C(=O)NCc1ccc(F)cc1 84718181 CBECWULPLRAWPD-LBPRGKRZSA-N 315.348 1.847 0 40 DDAB CSc1nc2nc(C)c(CC(=O)N3CC=CCC3)c(C)n2n1 95466091 VWVUPCJLKZUYEQ-UHFFFAOYSA-N 317.418 1.794 0 40 DDAB O=C1C[C@@H](C(=O)Nc2cncc(Br)c2Cl)CN1 95452156 LBJNIWIICWCULO-RXMQYKEDSA-N 318.558 1.572 0 40 DDAB CC[C@H]1C[C@@H](C)CN1C(=O)CN1C(=O)NC(CC)(CC)C1=O 73322352 JBWAMWGELAKMEN-NEPJUHHUSA-N 309.410 1.744 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H](NC(=O)c2cnccn2)C1 98211931 VKMUWYIGFHIVJV-CYBMUJFWSA-N 315.377 1.476 0 40 DDAB C[C@@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)O 95970589 TWBRARQMKZBAPF-NSHDSACASA-N 313.357 1.812 0 40 DDAB COCC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 95986339 MYPIQNYMPXPMGQ-NSHDSACASA-N 315.167 1.080 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnn1C 95949247 GFNXJWWDXIRXLW-INIZCTEOSA-N 312.373 1.010 0 40 DDAB Cc1csc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 65467159 XMHNXIIHCQXSJQ-NSHDSACASA-N 306.395 1.346 0 40 DDAB CNC(=O)CN1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 89688789 RLDBQAHOTYASRR-UHFFFAOYSA-N 324.812 1.544 0 40 DDAB COc1cccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)c1 39975044 SWXNQCSYSPGBJW-UHFFFAOYSA-N 324.446 1.944 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)c2nc3ncccn3n2)c1 36618723 XHKZYSYJMVFVIS-UHFFFAOYSA-N 311.301 1.472 0 40 DDAB CCN(CC)C[C@@H](O)CN(C)S(=O)(=O)c1ccc(C)cc1 31903751 DRIURGNDEJEHDS-AWEZNQCLSA-N 314.451 1.318 0 40 DDAB CCCCOC(=O)c1cc(N)ccc1Sc1nnc(C)n1N 70462469 LHOPBYHUKPRVLM-UHFFFAOYSA-N 321.406 1.991 0 40 DDAB C[C@]1(C(=O)N2CCOCC2)CN(Cc2cccs2)CCO1 72379400 LYVPCMCXVOUKRU-OAHLLOKOSA-N 310.419 1.198 0 40 DDAB CCOC(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 217484033 XWFZLKQXYHZJMI-CQSZACIVSA-N 313.781 1.983 0 40 DDAB CCc1nc(C2(NC(=O)[C@@H](C)N3CC(C)C3)CCCC2)no1 568196701 KJYFFTZVGGIGQV-GFCCVEGCSA-N 306.410 1.858 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](OCc3ccncc3)C2)nn1C 329277894 CRCDBIYIEZTYOV-AWEZNQCLSA-N 300.362 1.555 0 40 DDAB COc1ccc(S(=O)(=O)NNc2ccccc2)cc1C(=O)O 226857126 FWDBXNUXUAPGAF-UHFFFAOYSA-N 322.342 1.699 0 40 DDAB NC(=O)[C@H]1CCC[C@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 568712564 SHQOMFQNDHUEQS-IUCAKERBSA-N 319.390 1.763 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 40465615 RPQXXDMRWCWXNA-WBMJQRKESA-N 304.346 1.147 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 229790166 WMRQLTIYCAZHJH-YCPHGPKFSA-N 320.364 1.640 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 224653672 WGBKNEZBNXBXRH-JTNHKYCSSA-N 309.387 1.940 0 40 DDAB CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2C)C1 195566230 GDEPCNLHLWDOLJ-CYBMUJFWSA-N 302.827 1.772 0 40 DDAB CCn1cc(OCC(=O)NC[C@H]2Cc3ccccc3O2)cn1 225710614 GPVXFBHZAGIOSF-CYBMUJFWSA-N 301.346 1.402 0 40 DDAB CC(C)CCN1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514290076 RRSCDDUFESNLJF-OCCSQVGLSA-N 310.419 1.456 0 40 DDAB biogenic,in-vitro CC(=O)NCCCNC(=O)NCC1(c2cccc(F)c2)CC1 96417618 NBOVJYXYVFTWSG-UHFFFAOYSA-N 307.369 1.683 0 40 DDAB COC[C@H](O)CNC(=O)[C@H](C)c1ccc(Br)cc1 96487684 IWPOAAYBFZPJCV-BXKDBHETSA-N 316.195 1.676 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1CC1CCOCC1 96060572 XOFWBXFKVVKENY-MRXNPFEDSA-N 320.437 1.660 0 40 DDAB Cc1nsc(C(=O)N2CCN(c3ccccc3F)CC2)n1 96098448 CHNVHAUQWULPJJ-UHFFFAOYSA-N 306.366 1.948 0 40 DDAB COCC(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccncc1 96200332 UAMCMUNKCITNBI-JKSUJKDBSA-N 304.390 1.667 0 40 DDAB COc1ccc(NC(=O)c2cnc3sc(C)cn3c2=O)cn1 92865724 XKGBYFSLZNDAAK-UHFFFAOYSA-N 316.342 1.720 0 40 DDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3[C@@H]2CCOC2)cs1 96184056 UBYGXJYCSUBXCW-MCIONIFRSA-N 307.419 1.416 0 40 DDAB Cc1noc(CN2CCN(c3nnc(C(C)(C)C)s3)CC2)n1 96473880 RAURJOFGKDYQGZ-UHFFFAOYSA-N 322.438 1.849 0 40 DDAB O=C(c1ccoc1)N1CCO[C@@]2(COCCN(CC3CC3)C2)C1 96228912 QYQKUYOGGNAFJX-QGZVFWFLSA-N 320.389 1.233 0 40 DDAB CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2 96108299 KQSADIYZWKNSQY-PBHICJAKSA-N 321.396 1.545 0 40 DDAB CC(C)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 96189800 WQPDAYFNYSYRDI-OAHLLOKOSA-N 300.406 1.600 0 40 DDAB COCCN1C(=O)CCC12CCN(Cc1cccc(C)n1)CC2 96228060 RIQOLGODWLCUOM-UHFFFAOYSA-N 317.433 1.993 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2ccc(=O)n(CC3CC3)c2CC1 96196701 RNTKXVCYPMEFSL-HNNXBMFYSA-N 316.401 1.222 0 40 DDAB CC(=O)N1Cc2cncn2C[C@H](COCc2ccccn2)C1 96207717 YAHIAOLTVFTPJR-CQSZACIVSA-N 300.362 1.473 0 40 DDAB CC(C)C(=O)N[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@@H]2O)C1 96493058 NNIHMVMLMDBNMA-OIISXLGYSA-N 302.418 1.881 0 40 DDAB CCc1cnc(N2CCC3(CCC(=O)N3CCOC)CC2)nc1 96228047 PAYMMOJIMAITOH-UHFFFAOYSA-N 318.421 1.647 0 40 DDAB CS(=O)(=O)C1CCN(C(=O)c2nc3ccccc3s2)CC1 96098183 TWJRTVNYXOQTHE-UHFFFAOYSA-N 324.427 1.946 0 40 DDAB CS(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 247529932 OIWCALFLEIBNDU-GFCCVEGCSA-N 314.432 1.118 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(CN)CO 242495508 GGJUAAZIIXMRGQ-XQQFMLRXSA-N 303.811 1.178 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257228891 FVSXKEQKFFXVPO-CQSZACIVSA-N 324.344 1.149 0 40 DDAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1c1ncccn1 253591309 LUQUUKKOGQLHOQ-ZDUSSCGKSA-N 324.388 1.195 0 40 DDAB Cc1ncc(-c2cccc([C@H]3CCCN3S(C)(=O)=O)n2)n1C 257343872 ZUSNEEUVJGKVTH-CQSZACIVSA-N 320.418 1.887 0 40 DDAB Cc1cncc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 257335698 YLLRKCKFENEMJZ-ZDUSSCGKSA-N 310.423 1.305 0 40 DDAB Oc1cc(C[C@@H]2COCCN(CC3CCOCC3)C2)ncn1 257298111 RKFBRQMWXUGBBB-AWEZNQCLSA-N 307.394 1.100 0 40 DDAB O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@H](O)[C@]2(CCCO2)C1 257253646 JZSOOYCFJBIMHB-HOCLYGCPSA-N 304.321 1.673 0 40 DDAB O=C(c1ccc(C(F)(F)F)nc1)N1CC(Nc2ccncn2)C1 618256788 WZWDSNCXZIZMFQ-UHFFFAOYSA-N 323.278 1.827 0 40 DDAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1cccnc1 90744396 DNIBOUPTHDXJMD-AWEZNQCLSA-N 320.370 1.028 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NCc2cccc(C)c2C)[C@@H]1O 585280109 AKAVGPZYUSCSOM-ZACQAIPSSA-N 318.417 1.537 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccccn1)C2 585107240 FTMLYABBSNQAFR-YOEHRIQHSA-N 301.390 1.389 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccco1)[C@H](C)C2 585098184 RBPIPDUXXSNQLJ-LLVKDONJSA-N 304.350 1.033 0 40 DDAB O=C(NCCc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 44872644 XSDXIDHNEXTWPY-JTQLQIEISA-N 324.427 1.390 0 40 DDAB CC(=O)NC1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 51280843 NFQZDJYXECSDAU-HZPDHXFCSA-N 301.390 1.853 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccnc2)C1 57315156 HQRQDBQBDFOZPK-TZMCWYRMSA-N 305.378 1.085 0 40 DDAB CN(C[C@H]1CCCO1)C(=O)Nc1cccc(Cn2cncn2)c1 69035208 LQQIHTTUUSAEFZ-OAHLLOKOSA-N 315.377 1.969 0 40 DDAB CC[C@H](NC(=O)[C@@H]1CN(CC)CCO1)c1nc2ccccc2[nH]1 78966010 JBTXEZPMYBQUIV-WFASDCNBSA-N 316.405 1.851 0 40 DDAB CCOc1cc2c(cc1Cn1cc(C(N)=O)cn1)O[C@H](C)C2 89991047 VJYIUHHHRSXELS-SNVBAGLBSA-N 301.346 1.752 0 40 DDAB Cc1ccc(N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)nn1 585234262 BRSXGFQTDPOUJY-UONOGXRCSA-N 304.394 1.297 0 40 DDAB CC[C@@H](Sc1nc2c(c(=O)n1C)S[C@@H](C)C2)C(=O)OC 250242 CWXHWZQFBXTFRT-IONNQARKSA-N 314.432 1.861 0 40 DDAB O=C(C1CC1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 13527749 PFHJEQHIZBQWNK-UHFFFAOYSA-N 309.373 1.597 0 40 DDAB O=S(=O)(c1ccc(-c2nnc(S)[nH]2)cc1)N1CCCC1 13534770 KZSOPAWOTYPHCZ-UHFFFAOYSA-N 310.404 1.545 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619641 JBRQLWVBBWJLQN-RNJOBUHISA-N 323.732 1.941 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cnn(C)c2)CCO1 643914153 MOJASECOEZHSHH-SFHVURJKSA-N 315.417 1.535 0 40 DDAB OC1=NC(c2ccccn2)=NN[C@@]12CC(c1ccccc1)=NN2 36390473 ZYQKKWDOUSOTHB-INIZCTEOSA-N 306.329 1.397 0 40 DDAB CC(C)(C)c1nccc(N2CCO[C@H](C(=O)N3CCCC3)C2)n1 1889096222 HVYUYEMOMRJMJX-ZDUSSCGKSA-N 318.421 1.602 0 40 DDAB CC(C)(C)c1nnc(CN2CCN(c3ncccn3)CC2)o1 27224266 DEOJXKIYNCUTFI-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc4ccccc4c3)CC2)N1 29656224 FKYUDZVYXOTETG-UHFFFAOYSA-N 323.352 1.654 0 40 DDAB CCn1nccc1C(=O)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224217 GZSBEHAOHZIUSW-ZDUSSCGKSA-N 320.462 1.699 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(C)c(F)c1 225633136 NDBFLQMJDIQWET-HIFRSBDPSA-N 323.364 1.856 0 40 DDAB CC(C)NC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 44226888 KKDLUHZGUYXFNU-UHFFFAOYSA-N 324.450 1.214 0 40 DDAB CCCn1nc(C(=O)N(Cc2cccnc2)C2CC2)ccc1=O 40464679 PKMFIMYJXWVECV-UHFFFAOYSA-N 312.373 1.853 0 40 DDAB Cc1nnc(NC(=O)NC[C@@H](O)COc2ccccc2)s1 40526492 NJPVQMNPGLOLAL-SNVBAGLBSA-N 308.363 1.408 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102177642 FCWDKOPVQSXLJV-JKOKRWQUSA-N 314.341 1.479 0 40 DDAB COC(=O)C(C)(C)NC(=O)CCCNC(=O)c1ccsc1 32816747 QHYFJEQJQOPXOB-UHFFFAOYSA-N 312.391 1.326 0 40 DDAB COc1ccc(CN2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 102772079 GHPHXMRQGOXPQZ-NWDGAFQWSA-N 312.416 1.344 0 40 DDAB COc1cccc(-c2noc(COC(=O)c3cnccn3)n2)c1 6486145 OZMXSFMGLVJIKW-UHFFFAOYSA-N 312.285 1.892 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 12345836 STNOYUXOLYFZHR-CQSZACIVSA-N 319.336 1.312 0 40 DDAB COCCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12391841 BPSPJIVDNLKGAJ-UHFFFAOYSA-N 300.318 1.984 0 40 DDAB in-vitro CCc1nc2ccccc2c2nn(CC(=O)NC(C)C)c(=O)n12 57731015 RWRGEULJEVELLG-UHFFFAOYSA-N 313.361 1.131 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 22843089 TYBUOLJEZDRIMQ-LBPRGKRZSA-N 301.312 1.393 0 40 DDAB O=C(Nc1ccccc1C(=O)N1CCOCC1)N1CCOCC1 871742 DTAZLOGQIARTJP-UHFFFAOYSA-N 319.361 1.023 0 40 DDAB O=C(c1cc[nH]n1)N1CCN(CCOc2ccccc2)CC1 42387873 XOAJXJTXKYKNFT-UHFFFAOYSA-N 300.362 1.247 0 40 DDAB C[C@@H](Cn1cncn1)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 23159188 YPMUKSDSJLEQNG-NSHDSACASA-N 314.393 1.490 0 40 DDAB C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ncnn2C)CC1 97142568 PNEYNJMVIHKICJ-LLVKDONJSA-N 320.422 1.787 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCc3nccn3C2)cnn1C(C)(C)C 97197608 MNSFXGBGGMMYSJ-GFCCVEGCSA-N 301.394 1.888 0 40 DDAB Cc1nc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2)cs1 42865319 XYDYOVCRGUCSPT-CQSZACIVSA-N 324.450 1.458 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2ccccc2)c1C 55279165 UBMNJTMELQKLKS-UHFFFAOYSA-N 302.334 1.257 0 40 DDAB CC[C@H]1CN(c2cnc3ccccc3n2)CCN1C[C@H](C)O 106840028 MZNZZVBNIJPZSB-KBPBESRZSA-N 300.406 1.911 0 40 DDAB CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 27038349 MHEJJZMCEGBFSX-RYUDHWBXSA-N 319.405 1.925 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1C 27393635 KYLGRGITVLSDSC-HUUCEWRRSA-N 316.401 1.952 0 40 DDAB C[C@@H](N[C@]1(C)CCS(=O)(=O)C1)C(=O)Nc1ccccc1F 58102356 IRCVEHPTKGJGAS-QMTHXVAHSA-N 314.382 1.320 0 40 DDAB O=C(COC(=O)c1ccc(CO)cc1)NCc1cccs1 3362790 XZHBDGJJCRPRBX-UHFFFAOYSA-N 305.355 1.714 0 40 DDAB O[C@H](COCc1ccco1)CN1CCN(c2nccs2)CC1 44896483 BPXAYMLIDXCLJA-ZDUSSCGKSA-N 323.418 1.436 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1Cc2ccccc2O1 58289687 YUVAXSFQYZMQSY-ZDUSSCGKSA-N 306.362 1.631 0 40 DDAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)N1CCOCC1 58209151 FWJSMSLETWRNDG-SECBINFHSA-N 314.744 1.456 0 40 DDAB CCN(CC(=O)NC(N)=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 58296647 GVLLYUCTJXZRLB-DZGCQCFKSA-N 318.421 1.339 0 40 DDAB CSc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1 27913121 QZHRMRFEWSQECW-UHFFFAOYSA-N 314.436 1.991 0 40 DDAB CCCc1nc(C)c(C(=O)N2CCN(C(=O)N(C)C)CC2)s1 44935254 UTHVWMCCABTKQZ-UHFFFAOYSA-N 324.450 1.843 0 40 DDAB Cc1csc(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 44967486 RFRXHPROHYJQJQ-CYBMUJFWSA-N 324.450 1.458 0 40 DDAB Cc1cccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c1 58356218 QKCOKRRNKFBHSO-GXTWGEPZSA-N 304.346 1.161 0 40 DDAB C[C@H](NS(=O)(=O)N(C)C)c1ccc(NC(=O)C2CC2)cc1 28044785 JONCOYLOAGDOQU-JTQLQIEISA-N 311.407 1.492 0 40 DDAB COc1ccc(OCCn2nnn(-c3cccs3)c2=O)cc1 10813065 LJLYQFCILURTSM-UHFFFAOYSA-N 318.358 1.578 0 40 DDAB Cc1cc(NC(=O)CCn2cnc3sccc3c2=O)no1 11505742 YBJYEOKGJNHQTJ-UHFFFAOYSA-N 304.331 1.783 0 40 DDAB COc1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 29235646 XANXFIQFGRFDKF-UHFFFAOYSA-N 316.361 1.419 0 40 DDAB O=C(CSc1nnc2[nH]c3ccccc3n12)N1CCOCC1 3599156 VFYSFXLNYZTRTJ-UHFFFAOYSA-N 317.374 1.162 0 40 DDAB C[C@@H](OC(=O)/C=C/c1cccc2ccccc12)C(=O)NC(N)=O 12926204 KJJZTESXTOPRBF-PBQZMEPESA-N 312.325 1.980 0 40 DDAB CC(=O)NCCNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 27671919 UQIBUCMGDMDYPV-UHFFFAOYSA-N 306.753 1.596 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CCC[C@H](C(=O)O)C3)cc12 13260846 NPXLPEIZNNOAQL-VIFPVBQESA-N 307.375 1.880 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(C)nn32)cc1 72333036 ALWWFRIXRAAWES-LBPRGKRZSA-N 300.318 1.722 0 40 DDAB CN(CCO)c1nc(NCc2ccccc2)c2cnn(C)c2n1 4374964 QSBJAMYQRIMDTG-UHFFFAOYSA-N 312.377 1.404 0 40 DDAB c1nc2c(c(N3CCOCC3)n1)CN(C[C@@H]1CCCCO1)CC2 65532751 PZCCRFYOLWHWIT-AWEZNQCLSA-N 318.421 1.240 0 40 DDAB Cc1c(C(=O)NC[C@@H](C)Cn2cccn2)cnn1-c1ccccn1 65604961 RKXLOPGJEIXMHL-CYBMUJFWSA-N 324.388 1.838 0 40 DDAB COc1cc(C2(C(=O)NCC(C)(C)C(N)=O)CC2)ccc1C 65605575 KWEWTCSCIOKJSN-UHFFFAOYSA-N 304.390 1.663 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4505374 SBCDLUNKMSYYAY-LBPRGKRZSA-N 317.432 1.275 0 40 DDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)CSc1ccccc1 66657917 NQBIBSSSTNSFAM-LBPRGKRZSA-N 310.444 1.768 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)N1CCc2ccccc21 4871286 QMUDCAXIYLGCQJ-LLVKDONJSA-N 303.314 1.396 0 40 DDAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc[n+]([O-])cc1 6990001 BDBCWVIXMFZZLR-OAHLLOKOSA-N 312.325 1.497 0 40 DDAB COc1ccc(OCc2nc(C(=O)N3CC(O)C3)co2)cc1 67919652 YZJYOHMCBGUXFE-UHFFFAOYSA-N 304.302 1.079 0 40 DDAB COc1ccc(Cl)cc1NC(=O)c1cn(CC(=O)O)nn1 90718046 OKMGUXDXFRMFTM-UHFFFAOYSA-N 310.697 1.277 0 40 DDAB CC1CCC(C(=O)N[C@@H]2CCCc3cn(CC(N)=O)nc32)CC1 96002878 SZISURJTSCPFSE-ORHYLEIMSA-N 318.421 1.688 0 40 DDAB O=C(CN1CCNCC1)NCCSc1ccc(Cl)cc1 19899352 SHZBSUZYVKKBHO-UHFFFAOYSA-N 313.854 1.454 0 40 DDAB NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C2OCCO2)c1 69294154 YRPQNLZIMUCLCY-CYBMUJFWSA-N 319.361 1.545 0 40 DDAB Cc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1 69528998 VLNZURLGOARRTK-YPMHNXCESA-N 306.366 1.383 0 40 DDAB C[C@H](Cn1cccn1)NCC(=O)N[C@@H]1CCOc2ccccc21 69740445 DXPKHUTWSJYKGD-UKRRQHHQSA-N 314.389 1.501 0 40 DDAB CCc1nc(CN(C)C[C@H]2CCCN2c2cccnn2)no1 71877483 FSYCQFYAJHSMCG-GFCCVEGCSA-N 302.382 1.523 0 40 DDAB O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@H](n2cccn2)C1 71924415 UTCVLDUGXVRBIP-HNNXBMFYSA-N 322.372 1.941 0 40 DDAB COCC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 71911434 YYABBKAHGOPKHO-MNOVXSKESA-N 316.398 1.510 0 40 DDAB CC(C)(C)c1nnc(Cn2c(=O)[nH]c3ccccc3c2=O)s1 84325387 ZTQKVTZOUBNKPV-UHFFFAOYSA-N 316.386 1.887 0 40 DDAB Cc1csc([C@@H]2CCCN(C(=O)CCn3ccnn3)C2)n1 72298891 WLPMHZKNSQBILI-GFCCVEGCSA-N 305.407 1.839 0 40 DDAB CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(O)ccc1-2 98095326 PCCARNSSXAGDHQ-UHFFFAOYSA-N 301.302 1.340 0 40 DDAB in-vitro COC(=O)CNC(=O)c1cc(C)c(Br)cc1C 95982509 AZPINWSCFXEEDN-UHFFFAOYSA-N 300.152 1.969 0 40 DDAB Cn1nccc1CNC(=O)Nc1cccnc1OCC(F)F 95980675 YSZISNSRVYJVDQ-UHFFFAOYSA-N 311.292 1.781 0 40 DDAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCc1n[nH]c(=O)[nH]1 75093032 KJPWGRDYADKFJL-OLZOCXBDSA-N 300.362 1.259 0 40 DDAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[C@@H](O)Cc1ccccc1 89522763 SIFZSKGKUHIDMH-WBMJQRKESA-N 315.417 1.925 0 40 DDAB O=c1ccnc2sc(NCCc3ccc4c(c3)OCO4)nn12 89806947 NIMKENVLQSVXPE-UHFFFAOYSA-N 316.342 1.534 0 40 DDAB O=C(c1ccnc(OCC(F)F)c1)N1CCOC[C@@H]1C1CC1 89976193 ZERZEYNEHAODJB-GFCCVEGCSA-N 312.316 1.977 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H]1N(C)C 89948465 YMLKMEJZKYQIDJ-MNOVXSKESA-N 318.343 1.701 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)c2ccccc2NC1=O 89941231 OHSQZYQPICNNNW-NSHDSACASA-N 311.341 1.620 0 40 DDAB Cc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CCc4nccn4C3)c2n1 75572967 PRSYJRSMYBDTDW-CYBMUJFWSA-N 324.388 1.596 0 40 DDAB Cc1oc(C)c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1C 75606522 PYPLTXSLKQIXCC-HUUCEWRRSA-N 306.406 1.876 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCNCC1)C(C)(C)C 518989453 PBSWCOXLPQUKRS-KYOSRNDESA-N 324.469 1.367 0 40 DDAB Cc1csc(Nc2nccnc2[C@H]2CCCN2CC(N)=O)n1 72367510 YAAUGCNFUFBNAN-SNVBAGLBSA-N 318.406 1.607 0 40 DDAB Cc1cc(S(=O)(=O)N2CCNCC2)ccc1Br 36352104 VGNQSACGGDEOSO-UHFFFAOYSA-N 319.224 1.351 0 40 DDAB CC(=O)N1CCC(Cc2cc(Nc3nncs3)ncn2)CC1 72361676 RYUOXSSKHSLHKF-UHFFFAOYSA-N 318.406 1.873 0 40 DDAB O=c1n(Cc2ccccn2)nc2n1-c1ccccc1C1=NCCN12 72348093 VMOGIGIUSXIHPS-UHFFFAOYSA-N 318.340 1.058 0 40 DDAB COc1ccsc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 79351897 XDGGDOMFDFWQTD-LBPRGKRZSA-N 316.382 1.809 0 40 DDAB COc1ccc2nnc(CCCC(=O)Nc3nccs3)n2n1 71285970 LSNYRWDCAPTXHH-UHFFFAOYSA-N 318.362 1.551 0 40 DDAB CCn1cc(CN2CCC(Nc3nccc(OC)n3)CC2)cn1 191693713 IEZCTEJEWDFAPR-UHFFFAOYSA-N 316.409 1.778 0 40 DDAB C[C@H](C(=O)NCCc1ccccc1)n1nnc2ccccc2c1=O 44449019 FUNCLKAOZGLYKB-CYBMUJFWSA-N 322.368 1.711 0 40 DDAB COC(=O)c1ccc(CN2CCN(c3nc(C)ns3)CC2)o1 81576595 XTSUBNLOPJCTAB-UHFFFAOYSA-N 322.390 1.548 0 40 DDAB Cc1nc(NC[C@@H]2CC[C@H](C(N)=O)O2)c2c(C)csc2n1 195567128 XLDVPUDOKJURTQ-VHSXEESVSA-N 306.391 1.753 0 40 DDAB CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2CC 46087564 BTUYXYAGPQFZQV-UHFFFAOYSA-N 315.381 1.094 0 40 DDAB CN1CCN(CCCNC(=O)c2cc3ccccc3o2)CC1 61524265 VSDYUNMEOUIMDC-UHFFFAOYSA-N 301.390 1.800 0 40 DDAB CCc1nnc(O)c(CNC(=O)Cc2ccc(N)cn2)c1CC 574635908 XMWJZWUJKFOIOW-UHFFFAOYSA-N 315.377 1.143 0 40 DDAB COCCN1C[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O 85436121 XQOOPYPEAAPEOF-CQSZACIVSA-N 318.377 1.287 0 40 DDAB biogenic,in-vitro CN(C)CC(=O)N1CCC2(CC1)C(=O)N(C)[C@H]2c1ccccc1 96244743 DVBJPZZJUNDZQP-INIZCTEOSA-N 315.417 1.370 0 40 DDAB O=C(NCCCCCO)C(=O)Nc1ccc(Cl)cc1F 192676728 GSNABKYCUYWYAO-UHFFFAOYSA-N 302.733 1.696 0 40 DDAB O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@H]1CC=CCC1 96432223 ZQHVOAFBBVRICA-RYUDHWBXSA-N 309.391 1.538 0 40 DDAB c1csc(N2CCOCC3(CCN([C@@H]4CCOC4)CC3)C2)n1 96240020 WLMDXXCSSBWCOR-CQSZACIVSA-N 323.462 1.851 0 40 DDAB OCCN1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 96239815 XCSMAUVBPYLAJK-CQSZACIVSA-N 315.339 1.751 0 40 DDAB C[C@@H](C[S@](C)=O)NC(=O)NCCc1cccc2cccnc12 96502107 SSPRREKZFGZNIX-AMXDTQDGSA-N 319.430 1.844 0 40 DDAB Cc1csc2nc(Cn3cnn(C(C)(C)C)c3=O)cc(=O)n12 97235164 PVCTZWCUKZHKGC-UHFFFAOYSA-N 319.390 1.226 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 96109415 CRGCITTXDQVTEP-BBWFWOEESA-N 317.433 1.880 0 40 DDAB O=C([C@@H]1OCCc2ccccc21)N1CCNC[C@H]1c1ccncc1 333307539 RECLUONEUQIEJE-ZWKOTPCHSA-N 323.396 1.869 0 40 DDAB CCN(C(=O)[C@H]1C[C@@H]1c1ccc(C)s1)[C@@H]1CC(=O)NC1=O 95938930 KJWNQEJNWQRLDL-GARJFASQSA-N 306.387 1.424 0 40 DDAB CCc1cc(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)no1 257240979 HWBAZJARVKZGEE-BPLDGKMQSA-N 317.345 1.333 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)c1 257344292 ZWMLWRMKPFGJOB-HNNXBMFYSA-N 315.377 1.379 0 40 DDAB Cc1nccc(CN2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)n1 257341076 ZITFHAGNSNPNRL-HYVNUMGLSA-N 324.432 1.922 0 40 DDAB CN1CCO[C@@H](CNC(=O)C(C)(C)COCc2ccccc2)C1 252488115 IKAIBQHZERWAEJ-INIZCTEOSA-N 320.433 1.676 0 40 DDAB CCc1nccn1-c1ccc(C(=O)NC2CCOCC2)cn1 257223556 DXXLKGXFJUQFQY-UHFFFAOYSA-N 300.362 1.739 0 40 DDAB NC(=O)CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257315812 VCWMETNALIUMED-RDJZCZTQSA-N 304.390 1.312 0 40 DDAB Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 257216782 CWANYUNDQPEBEQ-GFCCVEGCSA-N 321.406 1.005 0 40 DDAB Cc1cnc(N(C)CCN2C(=O)c3ccccc3C2=O)nc1C 270672255 ANQCQNJLVILGBH-UHFFFAOYSA-N 310.357 1.826 0 40 DDAB Cc1cccc(OC[C@]2(O)CCN(Cc3ccn(C)n3)C2)c1 585269199 LKCWRZDGZRWBJM-KRWDZBQOSA-N 301.390 1.744 0 40 DDAB CN1CCCC[C@H](CNCc2nncn2-c2ccccc2)C1=O 585140288 BRKHRSVEQRVSFU-CQSZACIVSA-N 313.405 1.615 0 40 DDAB O=C(NCCc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 44872640 XSDXIDHNEXTWPY-SNVBAGLBSA-N 324.427 1.390 0 40 DDAB O=C([C@@H]1COCCO1)N(Cc1ccccc1)C[C@@H]1CCCO1 56150171 GYJGLEZXIKLOLX-HOTGVXAUSA-N 305.374 1.610 0 40 DDAB CCN(CC)C(=O)CNC(=O)[C@@H]1COc2cc(OC)ccc2C1 64496659 PDUTWPXOJIGACO-ZDUSSCGKSA-N 320.389 1.231 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccon2)C1 548665284 XNYFGPBJFKTPCX-AWEZNQCLSA-N 306.391 1.677 0 40 DDAB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1nccnc1N 189514467 ORXFGYFNLNCJHU-KRWDZBQOSA-N 314.389 1.862 0 40 DDAB OC[C@@H](O)CSCc1noc(-c2ccc(Cl)cc2)n1 93958956 KBDRUOPZTZUOER-SNVBAGLBSA-N 300.767 1.976 0 40 DDAB C=CC(=O)O[C@H](C)COC[C@@H](C)OC[C@@H](C)OC(=O)C=C 6036690 ZDQNWDNMNKSMHI-JHJVBQTASA-N 300.351 1.644 0 40 DDAB CN1C[C@@H](C(=O)Nc2ccncn2)[C@@H]2COc3ccccc3[C@@H]21 1772595835 NITVYAKJTQEHMO-WWGRRREGSA-N 310.357 1.727 0 40 DDAB COc1cc(O)c2c(c1O)[C@@]1(C)C(=O)CCC[C@]1(O)CC2=O 5460231 DIAIAAXIAGNHSL-CVEARBPZSA-N 306.314 1.435 0 40 DDAB Cc1nccn1CCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1 12147306 FQONGUYBFCQGDT-KRWDZBQOSA-N 312.373 1.891 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(F)cc1)C2=O 18023478 BTYDOYYXDAOICS-UHFFFAOYSA-N 319.336 1.971 0 40 DDAB O=C1NC(=S)N/C1=C\c1cc(Cl)c2c(c1)OCCCO2 8237283 XMNGJUWAPXKKDD-UITAMQMPSA-N 310.762 1.847 0 40 DDAB CC[C@H](O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O 156724117 URBMSLPRAUGIIY-GWCFXTLKSA-N 316.279 1.767 0 40 DDAB O=C([C@@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCCC1 1889108479 SBFPEFPRSLDYPH-AWEZNQCLSA-N 321.446 1.844 0 40 DDAB O=S(=O)(N[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 1889130315 HIABFPVTLXSLKL-AWEZNQCLSA-N 312.410 1.872 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1 14710876 HEPHGOYCFVBMGE-OAHLLOKOSA-N 314.341 1.660 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@@H]1COc2ccccc2O1 23393706 MVSXENPLNWTQTL-LLVKDONJSA-N 300.380 1.003 0 40 DDAB Cc1nn(C)c(C)c1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037983603 AADUSMRJMFGEET-KRWDZBQOSA-N 320.437 1.250 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21 1565550016 MQCSPQYPQONALK-YNEHKIRRSA-N 310.369 1.021 0 40 DDAB C[C@@]1(C(=O)N2CC[C@H]3CN(S(C)(=O)=O)C[C@H]32)CC=CCC1 1565544828 RTZQQKLXQZXWPV-GZBFAFLISA-N 312.435 1.225 0 40 DDAB O=C(C1CC(O)C1)N1CCc2ncnc(-c3ccoc3)c2CC1 1565555333 XCVYNXZZLVEDJR-UHFFFAOYSA-N 313.357 1.435 0 40 DDAB COc1ccccc1NC(=O)NCc1nnnn1-c1ccccc1 9615540 DAYVODBAGDNVNL-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB CCc1nccn1CC1CN(C(=O)c2cn(C)nc2C(F)F)C1 1848990514 RFZUZNJTHYXLAI-UHFFFAOYSA-N 323.347 1.889 0 40 DDAB Cc1ccc(NCCNC(=O)c2ccc3c(c2)OCO3)nn1 35597919 GKUSXINLLJOBPP-UHFFFAOYSA-N 300.318 1.356 0 40 DDAB COC(=O)[C@@H](NC(=O)NCCc1ccc(OC)cc1)C(C)C 2155138 AMYNTSUMMOHICR-AWEZNQCLSA-N 308.378 1.735 0 40 DDAB biogenic CC(C)(C)c1nc(Cn2nnn(-c3cccs3)c2=O)no1 31793957 PUWSQDIPNHLNPN-UHFFFAOYSA-N 306.351 1.219 0 40 DDAB CC(C)(C)c1cc(NC(=O)COC(=O)C2(O)CCCC2)on1 51176462 AJEAIOFDKASFRH-UHFFFAOYSA-N 310.350 1.759 0 40 DDAB CC(=O)[C@@H](CS(=O)(=O)c1ccccc1)C(=O)C(F)(F)F 100923727 BJVKCTHEWGLZIH-SNVBAGLBSA-N 308.277 1.797 0 40 DDAB CCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1OCC 207570 ZWRVIGZFTXELCU-MDWZMJQESA-N 317.370 1.496 0 40 DDAB Cc1cc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)no1 21001681 IKWVLGOHEBTKDV-UHFFFAOYSA-N 313.313 1.998 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccsc2)c1 32748205 LPXUEUCVZICSBR-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB CCc1ccc(CCNC(=O)NC[C@@H](O)c2cnn(C)c2)cc1 76087826 NJDLOMHZBBLBST-MRXNPFEDSA-N 316.405 1.558 0 40 DDAB CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 78460371 AQDGEMYEPAMKLF-SECBINFHSA-N 320.361 1.760 0 40 DDAB FC(F)Oc1ccc(CCNc2ccc3nnnn3n2)cc1 32871858 VRTGUNMHUQGQCW-UHFFFAOYSA-N 306.276 1.775 0 40 DDAB O=C(Nc1nnn[nH]1)[C@H]1CCCCN1Cc1ccc(F)cc1 78986514 ZNNSOFHEGXBEGS-GFCCVEGCSA-N 304.329 1.332 0 40 DDAB Cn1c(CNC(=O)CCNc2ncccn2)nc2ccccc21 79479447 FXEOCMDUKZIRJU-UHFFFAOYSA-N 310.361 1.482 0 40 DDAB CC(C)(C)[C@H]1NN=C(SCC(=O)c2ccccc2)N(N)C1=O 2675027 GGYMABUQJJVUAZ-LBPRGKRZSA-N 320.418 1.594 0 40 DDAB Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)s1 32932936 CGBLONAEJBAPLJ-UHFFFAOYSA-N 302.421 1.475 0 40 DDAB C[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(=O)N(C)C 32925428 OTLSLNCLOKUPNF-LLVKDONJSA-N 308.403 1.370 0 40 DDAB O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1 4985325 LOQSGUJZIXIZNK-UHFFFAOYSA-N 318.764 1.219 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc2c(c1)OCO2 6606382 CYYYZYUEFIPTEY-ZCFIWIBFSA-N 307.335 1.235 0 40 DDAB Cc1cnn(CC2CC2)c1NC(=O)CN1CCCCCC1=O 69513487 VYSHGJVKKLOOLM-UHFFFAOYSA-N 304.394 1.943 0 40 DDAB CCN(CC)C[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 6938124 LPIQQJLSJXSUGF-QGZVFWFLSA-N 319.449 1.147 0 40 DDAB Cc1cc(N2CC(n3cccn3)C2)n2nc(C(F)(F)F)nc2n1 69562773 NIDZNHJGNZNGLB-UHFFFAOYSA-N 323.282 1.709 0 40 DDAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cn2cnnn2)c1 59774022 KRENNCMOQABQGG-UHFFFAOYSA-N 322.756 1.103 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)NC2CC2)c1 50386072 PXXHIKYLNWMSBZ-ABAIWWIYSA-N 302.374 1.616 0 40 DDAB COc1ccc(OC)c([C@H]2C=C(C(=O)O)Nc3ncnn32)c1 12389698 KMEGANCNTUDJBM-LLVKDONJSA-N 302.290 1.279 0 40 DDAB COC[C@@H](C)NC(=O)CCn1cnc2c(C)cccc2c1=O 22624969 GAXHHNZRWSWOPW-GFCCVEGCSA-N 303.362 1.246 0 40 DDAB CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1 113938533 UYHAYTVXBITXHJ-UHFFFAOYSA-N 300.449 1.781 0 40 DDAB COCCN(CC(N)=O)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 69622979 HGIVXUGHVDSJFI-QWHCGFSZSA-N 310.781 1.404 0 40 DDAB Cc1noc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)n1 24661861 OJWJZHXQJITFNM-UHFFFAOYSA-N 322.390 1.775 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccccc1C(=O)N(C)C 25152428 ODJDDRXUXHYCIX-AAEUAGOBSA-N 317.389 1.489 0 40 DDAB CCn1cc(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)cn1 43645419 WDGJAOWICZBDOV-AWEZNQCLSA-N 309.414 1.381 0 40 DDAB COc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](C(N)=O)C1 12695263 JFODEFDMHSSXRX-NWDGAFQWSA-N 305.378 1.220 0 40 DDAB CCOC(=O)C(=O)[C@H]1C(=O)N(C)[C@]2(C)C[C@@H]1c1ccccc1O2 100330862 LVSHFNNPADHXDV-ZUCKAHLUSA-N 317.341 1.489 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cccnc2N2CCCC2)CC1 48231606 DCXGQTFRUIEUBK-UHFFFAOYSA-N 316.405 1.423 0 40 DDAB CC1=C(C(=O)OCC(C)C)[C@H](c2csnn2)NC(=S)N1 67029024 YGKJCSCYEUUFNS-JTQLQIEISA-N 312.420 1.530 0 40 DDAB Cc1c(C(=O)O)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 50214869 DJMFBJCZMHYJGA-UHFFFAOYSA-N 312.688 1.716 0 40 DDAB O=C(Cn1cccn1)N1CCC[C@H]1c1nnc2n1CCCCC2 48232265 GSCNNRUHRWGJKM-ZDUSSCGKSA-N 314.393 1.565 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccccc1 58158338 MKKUGQXRBPXYBQ-GXTWGEPZSA-N 304.346 1.243 0 40 DDAB O=C(Nc1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 10036598 FDTLYNYELFSWJZ-MRVPVSSYSA-N 311.388 1.605 0 40 DDAB COc1c(CN[C@@H](C)c2nnc3ccccn23)c(C)nn1C 58299816 SADPGDLTKNHMKX-NSHDSACASA-N 300.366 1.631 0 40 DDAB COc1c(CNC[C@@H](O)COc2cccc(F)c2)c(C)nn1C 58343025 JKDQVYXSJLWVDI-CYBMUJFWSA-N 323.368 1.406 0 40 DDAB Cc1ccc(C)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12 22921256 OVYLIAUGWLTLCP-UHFFFAOYSA-N 315.417 1.567 0 40 DDAB COc1cc(C(=O)OCc2cc(C)on2)ccc1OCC(N)=O 10905404 XQCABSHKRWOBDH-UHFFFAOYSA-N 320.301 1.213 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccn1 28783821 XTUBXKVFYCINQN-NSHDSACASA-N 319.386 1.528 0 40 DDAB CCCn1nc(C(=O)Nc2cccc(C(=O)OC)c2)ccc1=O 12849742 IBBPQQFNVFZCMS-UHFFFAOYSA-N 315.329 1.692 0 40 DDAB O=C(NCc1ccco1)[C@H]1COCC(=O)N1Cc1ccccc1 70641357 DNXPUQTVXFUKJE-OAHLLOKOSA-N 314.341 1.323 0 40 DDAB O=C1NC[C@@H]2CN(Cc3ccc(OC(F)F)c(F)c3)CCN12 91863987 NDANMRKTRMGZFE-SNVBAGLBSA-N 315.295 1.637 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 3480375 RAOAZZSLPXQHBW-CQSZACIVSA-N 317.389 1.312 0 40 DDAB CCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 3505762 CNTKZCVUJUZHPK-UHFFFAOYSA-N 315.373 1.904 0 40 DDAB CC(=O)N1CCN(CCC(=O)Nc2ccc(F)cc2F)CC1 69780043 ZGAYGUUPRKPPJQ-UHFFFAOYSA-N 311.332 1.458 0 40 DDAB Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)n1 13011684 ZCZCAFXXGBKNTG-UHFFFAOYSA-N 324.340 1.694 0 40 DDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCOCC1 13009377 PFCAXYNWWIGCCC-INIZCTEOSA-N 300.358 1.809 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NCCNc2ccccn2)cc1 13250116 FYLBDIDBLFQTLV-UHFFFAOYSA-N 321.358 1.170 0 40 DDAB O=C1[C@@H]2CSCN2C(=O)CN1CCc1c[nH]c2ccccc12 4085489 UEOYYCHBYVZOLW-AWEZNQCLSA-N 315.398 1.454 0 40 DDAB biogenic Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(OCC(N)=O)cc1 49548948 PFWOTYOLNBPGJV-LLVKDONJSA-N 300.318 1.408 0 40 DDAB C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1 6063251 BFVHNVLCRWFRKG-JTQLQIEISA-N 313.313 1.365 0 40 DDAB CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 6179056 NZXMWBUXKJYSRH-UHFFFAOYSA-N 311.190 1.505 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 65453994 VTBSZVPZGGDRQL-CYBMUJFWSA-N 319.361 1.225 0 40 DDAB Cc1nc2n(c1C)CCN(C[C@H](O)COCc1ccco1)C2 65452917 BYPICUSCWXCZPK-AWEZNQCLSA-N 305.378 1.486 0 40 DDAB Cn1cccc1[C@@H]1CCCN1Cc1nc2c(cnn2C)c(=O)[nH]1 65418706 NZOMUAGYJCOPDL-ZDUSSCGKSA-N 312.377 1.332 0 40 DDAB COCCNC(=O)CN(C)Cc1coc(-c2ccccc2)n1 65610722 FKZARLQGVMHXGL-UHFFFAOYSA-N 303.362 1.536 0 40 DDAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nnc(N)s1 4502741 QKTVWOHFOONNEB-UHFFFAOYSA-N 324.387 1.858 0 40 DDAB Cc1cccc(-c2nnn(Cc3nc(=O)c4ccccc4[nH]3)n2)c1 5452473 XEAUGKPINJCLPA-UHFFFAOYSA-N 318.340 1.933 0 40 DDAB CC(C)(C)NC(=O)CSc1nnc(-c2cccc(F)c2)n1N 5675309 PIAMOVKLMGNVHY-UHFFFAOYSA-N 323.397 1.805 0 40 DDAB O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccccc1F 70958127 SBFDKDSJZWLWFT-CYBMUJFWSA-N 309.362 1.708 0 40 DDAB CN(C)C(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 7089072 SYTJPGKBDVJYQY-LLVKDONJSA-N 321.358 1.762 0 40 DDAB NC[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67713975 MSJIFVDIPKOUIR-LBPRGKRZSA-N 323.299 1.088 0 40 DDAB O=C(NC[C@@]1(O)CCSC1)c1nc(Cl)ccc1Cl 82967787 NUBJQVNYNWYZLL-NSHDSACASA-N 307.202 1.986 0 40 DDAB CCN(CC)C(=O)CN(C)CC(=O)N[C@@H](C)c1ccccc1 7591105 AVAQQEHPJMLJKZ-AWEZNQCLSA-N 305.422 1.664 0 40 DDAB Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)n(-c2ccccn2)n1 71281496 MDIOIPVYVXCQTM-OLZOCXBDSA-N 314.345 1.871 0 40 DDAB CC(C)[C@@H](Sc1nnnn1C1CCCC1)C(=O)NC(N)=O 16371920 UEURXWRTLLZUJL-SECBINFHSA-N 312.399 1.100 0 40 DDAB COc1ccc(/C=C/C(=O)NC(=S)N2CCN(C)CC2)cc1 19537091 ZBFQDWAYBOSLFG-VMPITWQZSA-N 319.430 1.357 0 40 DDAB CC(=O)NCCNc1cnn(-c2ccccc2)c(=O)c1Cl 8063600 RBGRIPMGFCYBIS-UHFFFAOYSA-N 306.753 1.434 0 40 DDAB CNc1cc([C@@H]2CCN2C(=O)CN2CCCCC2)nc(C)n1 72387615 QCGDVQJMTSKDRK-AWEZNQCLSA-N 303.410 1.586 0 40 DDAB C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1)NC(=O)C1CCCC1 69439837 VMPSKSLIXBVSOV-XJKSGUPXSA-N 318.417 1.921 0 40 DDAB O=C(c1cccnc1Cl)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 71829016 SMYOOUWGIFUXJV-SNVBAGLBSA-N 314.794 1.527 0 40 DDAB COCCN1CCN(CC(=O)N(C)Cc2ccccc2C)CC1 71886885 RKALSKXGDFSCEU-UHFFFAOYSA-N 319.449 1.217 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1Cc1noc2c1CCCC2 71888709 PEQYCUQDNYAGDX-UHFFFAOYSA-N 318.354 1.898 0 40 DDAB C[C@@H](NC(=O)CSCc1nc2ccccc2[nH]1)C(=O)N(C)C 71903999 ITWNODFGROKGSV-SNVBAGLBSA-N 320.418 1.389 0 40 DDAB O=C(NCc1ccccc1N1CCOCC1)N1CCC[C@@H](O)C1 84504835 SRMQTXJUHRHIEB-OAHLLOKOSA-N 319.405 1.190 0 40 DDAB CNC(=O)c1cccc(CCNC(=O)c2ccc(O)cc2F)c1 97046595 GEWWHODDAGYNJX-UHFFFAOYSA-N 316.332 1.863 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](Cn2cncn2)C1 97048168 RQRQJHHAFZJQDS-LBPRGKRZSA-N 324.381 1.518 0 40 DDAB C[C@@H]1C[C@@H](OC(=O)CCCn2c(=O)oc3ccccc32)C(=O)O1 84686024 FSQWLEGIPUIXFZ-ZWNOBZJWSA-N 319.313 1.622 0 40 DDAB CCC[C@@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1nnn[nH]1 95411832 WGMSPYIPMZIYFX-LLVKDONJSA-N 318.337 1.942 0 40 DDAB Cn1cc(N2C(=O)C[C@H](N(Cc3ccccc3)C3CC3)C2=O)cn1 95948563 MCYCGVNHFQYNML-INIZCTEOSA-N 324.384 1.717 0 40 DDAB NS(=O)(=O)CC1CCN(c2cccc(C(F)(F)F)n2)CC1 75051070 GYDXXZPHTIJEKY-UHFFFAOYSA-N 323.340 1.605 0 40 DDAB C[C@@H](N[C@H](C)c1ccccc1N(C)C)C(=O)N1CCOCC1 89588354 XTCMFVPPHMFJMN-ZIAGYGMSSA-N 305.422 1.651 0 40 DDAB Cc1cc(NC(=O)Cn2cnc(C3CCC3)cc2=O)n(C)n1 89701321 YCJHSCDUAISXMO-UHFFFAOYSA-N 301.350 1.191 0 40 DDAB O=C(NCCn1cccc1)N[C@H]1CCO[C@]2(CCSC2)C1 89878809 HORBIWJFRAGIEH-DZGCQCFKSA-N 309.435 1.842 0 40 DDAB CC[C@H](NC(=O)Cn1nc(O)ccc1=O)c1ccccc1OC 89947928 WKZAOIBBUGUAFV-LBPRGKRZSA-N 317.345 1.225 0 40 DDAB CCC[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnn[nH]1 89949688 ZNWRVNMDNOGISY-JTQLQIEISA-N 312.337 1.052 0 40 DDAB CN(C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCOC1=O 75603699 GNIRIKDVAVXBIL-OLZOCXBDSA-N 310.419 1.369 0 40 DDAB CCn1nccc1C(=O)NCC1(N2CCOCC2)CCCCC1 28575209 XJFDDRIQVAFNGR-UHFFFAOYSA-N 320.437 1.668 0 40 DDAB O=C(CC1CC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306123933 BAVYYFNIIHKCNC-CQSZACIVSA-N 302.374 1.878 0 40 DDAB O=C(CCc1nccs1)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 408496281 KAQSMNFHZTYULF-OUAUKWLOSA-N 314.432 1.710 0 40 DDAB CN1CCC[C@H]1c1cccc(CCC(=O)N2CCOCC2)n1 72360437 ZQTFDOSZMIJPKY-INIZCTEOSA-N 303.406 1.640 0 40 DDAB CC(C)(C)OC(=O)NC1CCC(N(C(=O)CN)C2CC2)CC1 79391161 CZRKRXDDCSBOEL-UHFFFAOYSA-N 311.426 1.772 0 40 DDAB CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 128047059 ACJQDAATZROUHA-ZDUSSCGKSA-N 312.435 1.609 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N[C@@H](CC(=O)O)c1cccc(F)c1 72401454 YVTSUSGPMYUCMK-CYZMBNFOSA-N 323.320 1.815 0 40 DDAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nnc[nH]1 72414451 AYGFGLIHMSTFML-UHFFFAOYSA-N 302.743 1.658 0 40 DDAB CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)cc1 77938662 VTBNODQQDGHGOW-DZGCQCFKSA-N 304.390 1.855 0 40 DDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cnn(C)c1Cl 72242583 RRTUKZUVSZKTFC-LBPRGKRZSA-N 305.769 1.979 0 40 DDAB COC[C@]1(C(=O)O)CCN(c2ncccc2-c2nc(C)no2)C1 566297132 FADGIINWOMWEDX-HNNXBMFYSA-N 318.333 1.368 0 40 DDAB C[C@@H](c1ccc(NC(=O)NCCCO)cc1)N1CCOCC1 78776210 CDLVHVXEACVEQQ-ZDUSSCGKSA-N 307.394 1.584 0 40 DDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc2[nH]nnc2c1 44896843 LHKCUDHPKBLCPE-HNNXBMFYSA-N 321.384 1.962 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CC(c3nc(C)no3)C2)c1 49482210 YAGOFIAQBYSQSB-UHFFFAOYSA-N 307.375 1.783 0 40 DDAB O=C(NCC1CCN(c2ncccn2)CC1)NC[C@@H]1CCCO1 225553830 OXKYFEQIHISKSP-AWEZNQCLSA-N 319.409 1.171 0 40 DDAB CS(=O)(=O)N1CC(Oc2nc3c(F)cccc3s2)C1 85471173 BAXRUHNKSLOMBL-UHFFFAOYSA-N 302.352 1.458 0 40 DDAB NC(=O)Cc1csc(NC(=O)[C@H]2COc3ccccc3C2)n1 40481061 WXZOYSGHMAROHI-SNVBAGLBSA-N 317.370 1.361 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)N2CCCN(C(=O)C(C)C)CC2)C1 572460073 JZBAPPXVFOPEBR-OKILXGFUSA-N 311.426 1.454 0 40 DDAB CCOc1cc(-c2ncc(CCC(=O)O)c(=O)[nH]2)ccc1OC 223447058 CJPRKDPWPXIRIU-UHFFFAOYSA-N 318.329 1.861 0 40 DDAB Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)n1 530412399 HEKHEXUMHIARFW-DZGCQCFKSA-N 315.377 1.388 0 40 DDAB CNS(=O)(=O)c1cccc(CNc2nc(C)cnc2C)c1 195563678 QRHLHTOWGBBPOZ-UHFFFAOYSA-N 306.391 1.614 0 40 DDAB CNS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2F)C1 92068302 GIIVSXNXMSWAQC-LLVKDONJSA-N 306.790 1.603 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96063950 CENVDEBVWZFTER-CVEARBPZSA-N 316.405 1.192 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 96253140 UCYBLASZSHNCMJ-QLFBSQMISA-N 321.421 1.397 0 40 DDAB COCCO[C@H]1CCN(c2ncccn2)[C@H]1Cc1cnn(C)c1 96200647 MNUDTELYZMELKQ-GJZGRUSLSA-N 317.393 1.063 0 40 DDAB CCn1c(=O)n(CCN2C(=O)NC(C)(C)C2=O)c2ccccc21 96447909 UEKUVTRFUHHCHD-UHFFFAOYSA-N 316.361 1.153 0 40 DDAB COC[C@H]1CN(C(=O)COc2ccccc2)Cc2ncn(C)c21 96044775 KEBWXFOLCKMLSW-CYBMUJFWSA-N 315.373 1.571 0 40 DDAB C[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2O1 96424756 DRPNVEMVSABOIZ-AAEUAGOBSA-N 308.353 1.708 0 40 DDAB CO[C@@H]1CCN(C(=O)c2cccs2)[C@@H]1Cc1cnn(C)c1 96200610 IHLKJWSUKIQNGH-CHWSQXEVSA-N 305.403 1.954 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)N1CCCC1 96045385 ZESUSIZQIMKMLS-AWEZNQCLSA-N 319.409 1.450 0 40 DDAB CO[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2CN(CC3CC3)C[C@H]12 96109440 GWNSCMXWKAWVFE-IMJJTQAJSA-N 319.405 1.554 0 40 DDAB CCC(=O)N1CC[C@@H](OC)[C@H]2CN(Cc3cccnc3)C[C@H]21 96108580 AFDGTVAEUHZPLV-ARFHVFGLSA-N 303.406 1.539 0 40 DDAB Cc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)o1 248128721 XTVKHFCIKKYRDV-HOCLYGCPSA-N 314.389 1.716 0 40 DDAB N[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252516112 QDGHABKKIPLKIS-ARFHVFGLSA-N 317.366 1.682 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)ccn1 257302610 SDNYYNNZIYYFFK-HNNXBMFYSA-N 323.356 1.646 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1cccc(N2CCOC2=O)n1 257309586 UBMCPGLIUPHYIQ-NSHDSACASA-N 311.363 1.135 0 40 DDAB Cc1cccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)c1 256048797 WFOYOBIOJBJXQA-UHFFFAOYSA-N 301.350 1.026 0 40 DDAB CC(C)(N)C(=O)N1CCC2(CC1)CO[C@@H](Cc1ccccn1)C2 257210875 BWMSMPPVHLFWKN-HNNXBMFYSA-N 317.433 1.759 0 40 DDAB O=C(C1CCC(F)(F)CC1)N1C[C@@H](O)[C@H](N2CCCC2)C1 257266873 MEXUWOQEZDYYOZ-CHWSQXEVSA-N 302.365 1.479 0 40 DDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)Cc2cccs2)[C@H]1O 257270513 MUOOHMNDQBAIGW-UMVBOHGHSA-N 305.403 1.676 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 253472359 LNBGMQULOBWNDZ-UIJWQDAMSA-N 323.414 1.913 0 40 DDAB Cn1cc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)cn1 257342136 ZNFGDONKETVGSV-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB C[C@H](NC(=O)NCCCN(C)C)c1ccc2c(c1)CCC(=O)N2 42921632 HXXMIQIDOBMJIZ-LBPRGKRZSA-N 318.421 1.883 0 40 DDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccn(C)n3)C2)n1 257337425 YSSAPQQODJTASM-CQSZACIVSA-N 313.405 1.865 0 40 DDAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C 257320299 VWCXGLBDLZRYRU-WCVJEAGWSA-N 324.396 1.409 0 40 DDAB CC(C)NC(=O)CN1C(=O)CC[C@@]12CCCN(CC1CC1)CC2 585100522 LXBMZEMBNRSZHW-GOSISDBHSA-N 321.465 1.768 0 40 DDAB CN(C)CCCC(C)(C)NC(=O)c1cccc2c1NC(=O)CO2 585141593 VWBSBCODJDIVPW-UHFFFAOYSA-N 319.405 1.868 0 40 DDAB Cn1cnc(CN2CC[C@](O)(COc3cccc(F)c3)C2)c1 585269407 SHKMNTLFTBVSEM-MRXNPFEDSA-N 305.353 1.575 0 40 DDAB CC[C@@H](OC)C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1 49515130 ZYCMEGBGDMAQIW-SECBINFHSA-N 306.771 1.106 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1 53895117 ANUBRZNTWIAHIC-ZDUSSCGKSA-N 311.341 1.821 0 40 DDAB Cc1nc(C(F)(F)F)ccc1C(=O)NCCS(C)(=O)=O 56880374 OGXYTFXIVROYNM-UHFFFAOYSA-N 310.297 1.183 0 40 DDAB C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1 57418607 VMANEFWDNPUZHK-GFCCVEGCSA-N 301.346 1.956 0 40 DDAB O=c1ccnc2sc(NC[C@H]3Cc4ccccc4O3)nn12 69161068 GZIJNNZRPWCFOF-SNVBAGLBSA-N 300.343 1.567 0 40 DDAB CSCC[C@](C)(O)CNC(=O)[C@@H]1COc2ccccc2O1 75157466 PNFAUCLKPNMVTK-ZFWWWQNUSA-N 311.403 1.447 0 40 DDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)CC2=O 100175313 SYBVAYYARAAZTJ-ROUUACIJSA-N 322.449 1.610 0 40 DDAB COc1cc(/C=C/CN[C@H](C(=O)O)[C@H](C)[C@H](C)O)ccc1O 1772592050 XXYLZEKPQREHDD-NXJPDDBZSA-N 309.362 1.474 0 40 DDAB CCOC(=O)C(C[C@H]1COc2ccccc2O1)C(=O)OCC 5650511 BRPMRKYCHLIEMM-NSHDSACASA-N 308.330 1.959 0 40 DDAB CC(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1 11696860 DOIKUEWRLLZRSN-UHFFFAOYSA-N 312.377 1.592 0 40 DDAB O=C(Cn1nc2oc3ccccc3n2c1=O)N1CCCCC1 12183523 NYLCSEASRHLDFZ-UHFFFAOYSA-N 300.318 1.255 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169682319 KVMAWRQFOJLWOB-PMXAPFLYSA-N 309.321 1.942 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)Cc1ccco1 206617685 PPDAXTXLBGFAHI-ZDUSSCGKSA-N 314.363 1.156 0 40 DDAB O=C(N[C@@H]1CCCOC1)c1ccc(-n2cnnc2)cc1Cl 12148328 CFOVWONWUBWWDG-SNVBAGLBSA-N 306.753 1.830 0 40 DDAB Cc1ccc(N2C[C@H]3CN(c4ncc(Cl)cn4)C[C@H]3C2)nn1 1888853802 UCPUDJIHWKAHEF-TXEJJXNPSA-N 316.796 1.801 0 40 DDAB NC(=O)Cc1csc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 38716833 UZGUUXMEGDUXAG-UHFFFAOYSA-N 319.361 1.980 0 40 DDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1cc(C3CC3)on1)C2 1614939093 RLILQOLTSDUJCM-SUMWQHHRSA-N 319.405 1.592 0 40 DDAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccco1 9660806 ORBASBUAFBFGAR-UHFFFAOYSA-N 309.325 1.933 0 40 DDAB COc1ccc(-c2cc(=O)n(CC(=O)NC(C)C)cn2)cc1 13807075 GZMTWPANDGWCDH-UHFFFAOYSA-N 301.346 1.444 0 40 DDAB O=C(NCC1CC1)c1noc2c1C[C@H](NC(=O)C1CCC1)CC2 2055739386 UIMVKRAYZWANAV-GFCCVEGCSA-N 317.389 1.588 0 40 DDAB CCc1ncnc(N2CCN(c3ncncc3C)CC2)c1F 1775973717 RLVJWQFEHNUUAX-UHFFFAOYSA-N 302.357 1.603 0 40 DDAB CCOc1cc(CNC(=O)c2ccc3nnc(C)n3n2)ccn1 2298222282 LCTHZWYVLVPQCN-UHFFFAOYSA-N 312.333 1.156 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1OC 61848 KIJBNHBVEMECAI-ZDUSSCGKSA-N 306.318 1.505 0 40 DDAB CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 31395718 MJLWLUCMASJIAZ-MNOVXSKESA-N 317.389 1.737 0 40 DDAB CSc1ccc(C(=O)CCC(=O)N2CCNC(=O)C2)cc1 40459397 JTSGINTUMBLLRR-UHFFFAOYSA-N 306.387 1.330 0 40 DDAB COc1cccc(N2C[C@@H](C(=O)NCC3CCC3)CC2=O)c1 31438404 AQSCCLMMZGEBEN-ZDUSSCGKSA-N 302.374 1.964 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)Nc1nnc(C)s1 40526496 OMWIWRRMBSESQM-JTQLQIEISA-N 308.363 1.710 0 40 DDAB CC1(C)NC(=O)N(CCCS(=O)(=O)Cc2ccccc2)C1=O 40543172 RZFVJYQQSGYILX-UHFFFAOYSA-N 324.402 1.322 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccccn1 32124476 PTOJSPSTOXUDEW-LBPRGKRZSA-N 310.313 1.810 0 40 DDAB biogenic CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 342470 SYWAZNGPIPXHKL-UHFFFAOYSA-N 324.406 1.151 0 40 DDAB O=C(CSc1ncccn1)NC(=O)NCc1ccccc1 2661888 QMVPZLKLFILDIX-UHFFFAOYSA-N 302.359 1.595 0 40 DDAB Cc1ncc(CNC(=O)N2CCN(Cc3ccon3)CC2)s1 76086465 OYIZLGKJJYEJJK-UHFFFAOYSA-N 321.406 1.467 0 40 DDAB O=C1CN(C(=O)CCOC[C@H]2CCCO2)c2ccccc2N1 78804385 CKJOHLLRHXQSEP-GFCCVEGCSA-N 304.346 1.557 0 40 DDAB Cc1nc(C(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)c[nH]1 78894268 RJZMJJLNBPRJOJ-NSHDSACASA-N 304.354 1.173 0 40 DDAB O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1 79013525 ZCLSEVNWWQDIQL-GFCCVEGCSA-N 308.344 1.804 0 40 DDAB C[C@@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 79095608 VJAZAADKJFOWGA-DZGCQCFKSA-N 324.446 1.673 0 40 DDAB CCCNC(=O)C1(NC(=O)c2cnc(C)cn2)CCCCC1 69418110 VVRFIJUTUNDRFL-UHFFFAOYSA-N 304.394 1.744 0 40 DDAB COCCCNC(=O)CN(C)CCOc1cc(C)cc(C)c1 52711219 ZZWLJOHOBOGBCG-UHFFFAOYSA-N 308.422 1.767 0 40 DDAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC)C1=O)OCO2 6951368 LNTVXZMQRZMLEX-BJMVGYQFSA-N 304.302 1.727 0 40 DDAB COc1cccc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O)c1 8700641 RUDMMKYSHSMJOY-RYUDHWBXSA-N 311.334 1.707 0 40 DDAB O=C(CCc1nc(-c2ccccn2)no1)NC[C@H]1CCCO1 33643219 FCSPDKIEPQLNOH-LLVKDONJSA-N 302.334 1.359 0 40 DDAB O=C1N[C@]2(CCSC2)C(=O)N1CCOc1ccc(F)cc1 22562044 YBJVWQOWEATSFM-AWEZNQCLSA-N 310.350 1.632 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 100617348 XBWCQLPOYGYWMW-FQUUOJAGSA-N 319.313 1.297 0 40 DDAB COc1ccc(CCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 61650517 DOLPIXUUNDBJAL-DOTOQJQBSA-N 318.417 1.607 0 40 DDAB COC(=O)[C@H]1C[C@@H](C(=O)OC)N(C(=O)OCc2ccccc2)C1 34369905 VFLKUGOZEYYCCP-STQMWFEESA-N 321.329 1.360 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)C1 43075956 LUEABNCLLSBGAI-JTQLQIEISA-N 315.295 1.722 0 40 DDAB CC(C)NC(=O)NC(=O)CNc1ccccc1C(=O)NC1CC1 12521919 HISXIGZPHPDHGB-UHFFFAOYSA-N 318.377 1.225 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1CCOC 55250682 VARROUDCKXVJNM-SNVBAGLBSA-N 314.411 1.083 0 40 DDAB Cc1nnc(CN2CCCN(C(=O)c3ccsc3)CC2)o1 54362645 KVJUGCHAVUOBKY-UHFFFAOYSA-N 306.391 1.788 0 40 DDAB CCCN1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 25778005 SCPUBMWERIKXPO-OAHLLOKOSA-N 321.421 1.588 0 40 DDAB CCN(Cc1cccc(F)c1)Cc1cc(=O)n(C)c(=O)n1C 56664078 PTARRJOUTDLUMN-UHFFFAOYSA-N 305.353 1.245 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1NS(C)(=O)=O 56959802 GWUNKQQWFAGYKB-GWCFXTLKSA-N 312.391 1.414 0 40 DDAB CC(=O)N1CCC(NC(=O)CN2CCc3sccc3C2)CC1 44088279 TZAFNVIQPXXQHA-UHFFFAOYSA-N 321.446 1.233 0 40 DDAB O=C1NC(=O)[C@H]2[C@@H]1[C@@H](c1cccs1)NN2Cc1ccccc1 101759347 UNJUMYAFCQFLMU-BFHYXJOUSA-N 313.382 1.451 0 40 DDAB CN1CC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3295880 CZJQGLMYULXTIR-UHFFFAOYSA-N 313.260 1.121 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3O2)no1 48000301 QORHGYBRYXGQPC-LLVKDONJSA-N 301.302 1.041 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)no1 44633779 MOFQFTQBVOFEDO-BXUZGUMPSA-N 303.362 1.657 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccccc2)CC1 44873262 UIRRHXIVYGQPHG-INIZCTEOSA-N 321.442 1.902 0 40 DDAB Cc1cncc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)c1 108533980 DBSUDOQMYUPQKE-IRXDYDNUSA-N 315.417 1.715 0 40 DDAB COC(=O)C1(NC(=O)CNC(=O)CC(C)(C)C)CCCCC1 58264901 CENCBLQHSNPMJI-UHFFFAOYSA-N 312.410 1.531 0 40 DDAB C[C@H]1COCCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 44912373 BTNVYEXRHHITPL-JTQLQIEISA-N 324.764 1.313 0 40 DDAB O=C(CCOc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1 36393512 HELMQIYRZGXUSP-JTQLQIEISA-N 317.794 1.412 0 40 DDAB COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 29066406 HWSYJKJNJLTZSX-UHFFFAOYSA-N 312.391 1.324 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](c1ccsc1)N(C)C 48313775 LXMRKXXXZJFOCU-OCCSQVGLSA-N 321.450 1.935 0 40 DDAB CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 408708323 XPFFCHZVDAURQG-MRXNPFEDSA-N 317.433 1.466 0 40 DDAB C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)NC(N)=O 3520984 GMKXRZCYMZLNAN-RXMQYKEDSA-N 305.117 1.734 0 40 DDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NC(C)(C)C 12991575 HRFUOLTZEUYMRZ-SSDOTTSWSA-N 312.399 1.113 0 40 DDAB CSCC[C@@H](C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O 17300628 MKJVRWXOECNAMP-ZDUSSCGKSA-N 320.414 1.929 0 40 DDAB O=S(=O)(CCN1CCC[C@@H]1Cn1cncn1)c1ccccc1 69653627 UGJIHSZAPUUDFK-CQSZACIVSA-N 320.418 1.216 0 40 DDAB COc1ccc(CNC(=O)Cn2ccccc2=O)cc1OC 17477640 KHLWBQGLSMYHFT-UHFFFAOYSA-N 302.330 1.182 0 40 DDAB CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1 6087387 ZSYWPFHUXYABKZ-UHFFFAOYSA-N 307.325 1.509 0 40 DDAB CNC(=O)CS(=O)(=O)Cc1sc(-c2ccccc2)nc1C 69742424 KWVMGEOUADRXNY-UHFFFAOYSA-N 324.427 1.779 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)Cn2ccnc2)n1 65415503 DKPVEVGCQTZXSX-JSGCOSHPSA-N 318.425 1.720 0 40 DDAB CC(C)[C@@H](C(=O)NCCCn1ccccc1=O)N1CCCCC1 69898943 PCZYMLXCGFZOQH-KRWDZBQOSA-N 319.449 1.865 0 40 DDAB C[C@H](NCCn1cccn1)C(=O)N(C)Cc1cccc(F)c1 69841484 NLKUHOWSXGORLU-ZDUSSCGKSA-N 304.369 1.659 0 40 DDAB CCn1cc(NC(=O)c2cccc(C[S@](C)=O)c2)ccc1=O 65609831 ZWFXOUZBLSQKAF-JOCHJYFZSA-N 318.398 1.999 0 40 DDAB CC(=O)N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 5628328 ZCSMCVVJHBBKFS-UHFFFAOYSA-N 318.402 1.346 0 40 DDAB O=S(=O)(c1cccnc1)N(Cc1noc(C2CC2)n1)C1CC1 67098056 MCQGEDKARIMKNI-UHFFFAOYSA-N 320.374 1.695 0 40 DDAB Cc1cc(=O)n2ncc(C(=O)Nc3ccc(F)cc3F)c2[nH]1 67225482 DEXNKDFJKOZVPK-UHFFFAOYSA-N 304.256 1.862 0 40 DDAB CCn1cc(C(=O)NCCCO)c(=O)c2cc(Cl)ccc21 22234836 CFVOQEZTBYWNBZ-UHFFFAOYSA-N 308.765 1.787 0 40 DDAB COCCc1cc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)n(C)n1 92930137 DANHHLHEIXFENT-TZMCWYRMSA-N 321.425 1.309 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)c1ccc(F)c(F)c1 7888242 NDKRXVKLVXCMQH-UHFFFAOYSA-N 301.252 1.953 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(Cn2cccn2)cc1 42535570 FYNBHGXOAAPZTG-CQSZACIVSA-N 309.373 1.946 0 40 DDAB Cn1c(NCCCN2CCOCC2)nc2sccc2c1=O 69179844 VJPXRRFVOZDJJB-UHFFFAOYSA-N 308.407 1.129 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)N1CC[C@@H]([C@H](C)O)C1 96010902 ZZCIPSZNPDECIV-LSDHHAIUSA-N 321.421 1.349 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cc3ccccc3n2C)CC1 70006274 CRMDYVWITKWWBM-HNNXBMFYSA-N 315.417 1.707 0 40 DDAB Cc1cnc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cn1 69349846 DYAXEGZZZRRJKZ-LBPRGKRZSA-N 302.382 1.355 0 40 DDAB Cn1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)cc1=O 71865209 ORZVDKCTTMSEDC-AWEZNQCLSA-N 300.362 1.277 0 40 DDAB C[C@@H](C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)n1cccn1 71841552 NBLZDWBVXGFFLH-AAEUAGOBSA-N 318.352 1.044 0 40 DDAB C[C@](O)(CC(=O)O[C@@H](C(N)=O)c1ccc(F)cc1)C(F)(F)F 71916814 DLJHSRKUONWHPV-PWSUYJOCSA-N 323.242 1.599 0 40 DDAB O=C(CNC(=O)C1CCCCC1)NCc1nnc2ccccn12 9643850 MCSOBQZWRMTYGZ-UHFFFAOYSA-N 315.377 1.042 0 40 DDAB CCc1cccc(S(=O)(=O)NCc2nnc(C)n2C2CC2)c1 97102333 VCNGGRUXIAVBRO-UHFFFAOYSA-N 320.418 1.962 0 40 DDAB Cc1cc(C(=O)O[C@@H](C)CN2CCOCC2)nn1C(C)(C)C 97107130 DELSOKFIEFIVMI-ZDUSSCGKSA-N 309.410 1.824 0 40 DDAB NC(=O)COc1cccc(CNC(=O)/C=C/c2ccco2)c1 72302980 SASTUIPBEQWNBH-VOTSOKGWSA-N 300.314 1.473 0 40 DDAB NC(=O)Cc1ccc(NC(=O)c2ccccc2-n2ccnn2)cc1 97085464 OMUHCQZWJVARCY-UHFFFAOYSA-N 321.340 1.547 0 40 DDAB O=C(Cc1cccc(Cl)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269278 NSWLVPLACOTFJT-CVEARBPZSA-N 322.836 1.940 0 40 DDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 72269288 JSAYNRPKTQZRNG-IAGOWNOFSA-N 318.417 1.295 0 40 DDAB Cc1ccn(CC(=O)NCCCOc2ccccc2F)c(=O)c1 95417889 JTYVLNPTLNDBNR-UHFFFAOYSA-N 318.348 1.881 0 40 DDAB CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)CCCF)C1 95986158 QKMUGIPAVQQNEZ-LBPRGKRZSA-N 318.418 1.728 0 40 DDAB CCOc1ccc(C(=O)NCC2CCN(CCOC)CC2)cn1 89269760 AZEQIBNEPBBNJD-UHFFFAOYSA-N 321.421 1.569 0 40 DDAB CCOC(=O)[C@@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C 89978097 YEUSDBKKOGLAMP-NOZJJQNGSA-N 314.332 1.635 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)N(C)Cc2ccco2)no1 75581855 CSVKVNXRLZSKIK-CYBMUJFWSA-N 304.350 1.767 0 40 DDAB CCc1nc([C@@H]2CCCN2C[C@H](O)COCc2ccco2)no1 75581800 ODQMPJGUQCUODX-JSGCOSHPSA-N 321.377 1.940 0 40 DDAB C[C@H](NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 110700957 XKPIWQSESBZMKA-XIRDDKMYSA-N 305.422 1.470 0 40 DDAB Cc1cc(=O)cc(O)n1CCc1nnc(-c2ccccc2O)o1 1547206060 SMBAJRWGPWBURP-UHFFFAOYSA-N 313.313 1.861 0 40 DDAB COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)cc1 34797560 ZKBACHQFBAZJGF-XSLAGTTESA-N 318.369 1.913 0 40 DDAB NC(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1 408899112 ZCHOFLGRTOHGOP-UHFFFAOYSA-N 311.750 1.169 0 40 DDAB C[C@@H](Oc1ccccc1Br)C(=O)NCCCO 32647980 WLLJSIKATUHNPM-SECBINFHSA-N 302.168 1.715 0 40 DDAB O=C(CN1CCC[C@H]1COc1ccccc1)NC[C@@H]1CCCO1 79100068 SKVLEFCXHCVSAW-RDJZCZTQSA-N 318.417 1.825 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC[C@@H](O)C3CC3)c2n1 533097922 QWQOKERGQJVNKN-CYBMUJFWSA-N 306.387 1.592 0 40 DDAB COc1ccc2[nH]c(Cn3cnc4ncccc4c3=O)nc2c1 32511802 KZQLEUWGHFTYCS-UHFFFAOYSA-N 307.313 1.725 0 40 DDAB Cc1cnn(CCC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c1 79350097 VDWKFBBLPMNKAZ-MRXNPFEDSA-N 323.343 1.884 0 40 DDAB O=C1NC(=O)[C@H](c2ccc(I)cc2)N1 59914431 VSPVENBPAQWIQK-ZETCQYMHSA-N 302.071 1.172 0 40 DDAB CC(C)[C@H](C)SCC(=O)NCC(C)(C)N1CCOCC1 79077428 RITUTXSUEVRYSC-ZDUSSCGKSA-N 302.484 1.991 0 40 DDAB COCC(=O)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 566004190 FVSSPFVDFWSVEK-UHFFFAOYSA-N 300.362 1.824 0 40 DDAB O=C(O)c1[nH]nc(C(F)(F)F)c1I 72339187 VDSCCNIIEKKCQN-UHFFFAOYSA-N 305.981 1.731 0 40 DDAB CN1CCC[C@@H]1c1cccc(CCC(=O)N2CCOCC2)n1 72360436 ZQTFDOSZMIJPKY-MRXNPFEDSA-N 303.406 1.640 0 40 DDAB O=S(=O)(C[C@@H]1CCCCO1)Nc1cnn(CC(F)F)c1 76937747 VTQFICULJSRGSS-JTQLQIEISA-N 309.338 1.459 0 40 DDAB Cc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[nH]c2c1C(=O)CCC2 44889008 JFEUTUSSEJLRRD-SNVBAGLBSA-N 324.402 1.101 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C[C@]1(O)CCCN(C)C1 46087371 WEYGMJAATYFTLO-YJBOKZPZSA-N 320.433 1.605 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1OC 225788851 VWPFUVUHGKNBBZ-XCCSTKFXSA-N 319.313 1.297 0 40 DDAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C1CCC(Cn2cnnn2)CC1 40266436 PBIWYSJSBSOPCW-XTZTZFPZSA-N 315.421 1.808 0 40 DDAB C[C@@]1(C(=O)NCCc2ccccn2)Oc2ccccc2NC1=O 41545069 CVSPNCVMQLRBTR-KRWDZBQOSA-N 311.341 1.530 0 40 DDAB O=C(Cc1cccc(O)c1)N1CCN(C[C@@H]2CCOC2)CC1 85634896 ZQBDYDHZODZFBY-HNNXBMFYSA-N 304.390 1.115 0 40 DDAB Cc1cc(N2CCC(NC(=O)c3c(C)n[nH]c3C)CC2)n[nH]1 225751310 MWFBGASYOURINR-UHFFFAOYSA-N 302.382 1.457 0 40 DDAB COC(=O)[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@H](C)O1 195539227 CSDFKXKHTCCDAY-SCZZXKLOSA-N 304.268 1.867 0 40 DDAB CCO[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]1Cc1cnn(C)c1 96200621 KNUDSKMXBQLRSG-HZPDHXFCSA-N 303.410 1.376 0 40 DDAB CCS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)OC[C@H](CO)O1 96531810 ZMBBQSLDOLHVFY-STQMWFEESA-N 320.794 1.335 0 40 DDAB Cc1nccc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 96429286 HSMRVKBTQWOYIZ-UHFFFAOYSA-N 311.389 1.713 0 40 DDAB COCc1ncn2c1CN(C(=O)c1cnc(C)cn1)CCC2 96085032 DASVDPJFHVUXCQ-UHFFFAOYSA-N 301.350 1.174 0 40 DDAB Cc1cnc(N2CCC3(CC2)C[C@@H]3C(=O)N2CCOCC2)nc1 96227808 MUBBTVSSTFRBAS-CQSZACIVSA-N 316.405 1.250 0 40 DDAB O=C(NCCc1cc2ccccc2o1)N[C@H]1CCCCNC1=O 96417684 AJQSQIBKJSKKCK-AWEZNQCLSA-N 315.373 1.943 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccccn4)C[C@@H]23)n1 96057254 AITWTCBPSNVIGA-FMKPAKJESA-N 314.389 1.710 0 40 DDAB CC(=O)NCCCN(C)S(=O)(=O)c1cc(F)ccc1Cl 96410384 WGNTZNPNAIBGNN-UHFFFAOYSA-N 322.789 1.626 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(CN)C(=O)O 242548490 LNQLJRDDAPTSHC-WZRBSPASSA-N 317.794 1.270 0 40 DDAB COCCNC(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O 253397882 GEPAUSQAAJIDND-VIFPVBQESA-N 308.309 1.910 0 40 DDAB biogenic,in-vitro Cc1cc(-c2cc([C@H]3CCN(S(C)(=O)=O)C3)nc(C)n2)[nH]n1 257230250 GBLPYSFOORNMML-NSHDSACASA-N 321.406 1.232 0 40 DDAB COc1ccc2[nH]cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)c2c1 257305053 SOFNXHBLNQEVFL-QGZVFWFLSA-N 317.389 1.315 0 40 DDAB COCC(=O)N1C[C@H]2CC[C@@H](N(C)c3cnc(C)cn3)[C@H]2C1 257309718 UCCTXVDLZRLIPI-HZSPNIEDSA-N 304.394 1.105 0 40 DDAB CN1CCC[C@H]1c1cncc(C(=O)NCCN2CCCCC2)n1 257277486 NYDOIVUQJIVAPM-INIZCTEOSA-N 317.437 1.459 0 40 DDAB CC(=O)N1CC[C@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 257305887 SRYROWVXWJWYSG-CYBMUJFWSA-N 302.378 1.124 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(Cc3cccnc3)CCN2C)c1 257242174 IBKIWNXVGBZKKL-GOSISDBHSA-N 324.428 1.930 0 40 DDAB Cc1cc(NC(=O)c2cc(N3CCOCC3)ncn2)sn1 252485393 GTTITYSZUCRZJO-UHFFFAOYSA-N 305.363 1.330 0 40 DDAB CSCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCCC2)C1 575405842 UNCDKZANPGKDCO-CYBMUJFWSA-N 322.434 1.188 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575403700 MSXDCKZHLOXRLO-QWHCGFSZSA-N 320.414 1.583 0 40 DDAB Cn1cncc1-c1cncc(C[C@@H]2CCN(c3ncccn3)C2)n1 585261127 DREGEDKRMFRWGK-ZDUSSCGKSA-N 321.388 1.736 0 40 DDAB O=C1CC[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)N1 48261023 YWUXPEMIABFINW-CYBMUJFWSA-N 307.419 1.061 0 40 DDAB CN1C[C@@H](C(=O)NCc2ccccc2N2CCCC2)CC1=O 60408737 XDCZIKHPFFZKNF-AWEZNQCLSA-N 301.390 1.381 0 40 DDAB O=C(Nc1cc(N2CCOCC2)ncn1)c1cc(C2CC2)on1 75166266 VRRGRCAYLYPQES-UHFFFAOYSA-N 315.333 1.431 0 40 DDAB CC(C)n1nccc1NC(=O)CN[C@H](C)[C@H](C)n1cccn1 75133919 KXRZDTMIAXEUHU-OLZOCXBDSA-N 304.398 1.838 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2cn(-c3ccccc3)nn2)cn1 71796805 MYAAAZCNBOTXQB-INIZCTEOSA-N 322.372 1.978 0 40 DDAB O=C(O)[C@H]1C=C[C@H](NS(=O)(=O)c2cnc3ccsc3c2)C1 548260565 HWJIWFPDOQRVPH-IUCAKERBSA-N 324.383 1.604 0 40 DDAB Cc1ncc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)s1 557095813 VZRJAUTWLFRULD-WDEREUQCSA-N 314.432 1.641 0 40 DDAB COCc1ccc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 1615130904 SJAOTPHUOBZVCF-OAGGEKHMSA-N 323.389 1.239 0 40 DDAB CCc1nn(CC(=O)NC(C)C)c(=O)c2cc3oc(C)cc3n12 12115547 SKNLBPXMZJAXRL-UHFFFAOYSA-N 316.361 1.638 0 40 DDAB Nc1cc(-c2ccco2)nn(CC(=O)N2CCCCC2)c1=O 12146652 HVEDHKGIRAEAPB-UHFFFAOYSA-N 302.334 1.098 0 40 DDAB Cn1c(=O)n(CC(=O)N2CCc3ccccc32)c2cccnc21 13265419 FLXGGPPSYSTUBJ-UHFFFAOYSA-N 308.341 1.324 0 40 DDAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458318 HQZPBZCRGFEWTB-STQMWFEESA-N 316.405 1.904 0 40 DDAB C[C@H]1CN(C(=O)CCOC[C@@H]2CCCO2)c2cccnc2O1 158426383 XTNPFUSSKITUCQ-STQMWFEESA-N 306.362 1.781 0 40 DDAB CCOC(=O)c1cc(C)n(Cn2nc(C(=O)OCC)cc2C)n1 3851827 GBLUNLGZIDHHSV-UHFFFAOYSA-N 320.349 1.556 0 40 DDAB biogenic C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(N)=O 6124288 VTWVYHXHIYMMKG-JTQLQIEISA-N 321.329 1.228 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2nnc(C3CC3)o2)C1 1888843647 MPYVKVCZFFYHIO-AAEUAGOBSA-N 312.373 1.728 0 40 DDAB CCOc1ccccc1CN1CC[C@@]2(COCC(=O)N(C)C2)C1 2037984409 ZXSAUWLGWNTUCG-SFHVURJKSA-N 318.417 1.766 0 40 DDAB COc1cccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 2056224825 XUHFZQIUVQURSW-GJZGRUSLSA-N 317.389 1.025 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@H]2CCN(c3cnccn3)C[C@H]2C1 1565554534 UOMUQBWTYLVHMK-YPMHNXCESA-N 322.359 1.807 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@H]2[C@@H](CCN2C(=O)C2(F)CCC2)O1 1565550154 RQHYDGQWOCRSHL-JHJVBQTASA-N 310.369 1.163 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2cccc(C)n2)C1 2055772474 MGDHXLKEQSOHCG-KRWDZBQOSA-N 313.405 1.324 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccccc3Cl)C2)n1 1775967096 FIMTZQGIOCOLDA-UHFFFAOYSA-N 317.776 1.977 0 40 DDAB O=C(Cn1ncccc1=O)NCc1cncc(-c2ccco2)c1 575618042 HGKSHYAJMGSZDL-UHFFFAOYSA-N 310.313 1.215 0 40 DDAB C[C@H]1CN(Cc2cc(C3CC3)on2)CCN1Cc1cnn(C)c1 2298031808 HLDSFAIRWOZUQZ-ZDUSSCGKSA-N 315.421 1.992 0 40 DDAB COc1ccc2cc(C(=O)NCCN3CCOCC3)[nH]c2c1 31214465 VXVGOIBYEPGBKE-UHFFFAOYSA-N 303.362 1.239 0 40 DDAB O=S(=O)(NC[C@H]1CCCc2ccccc21)N1CCOCC1 40497350 OMESOVODOOYBSJ-CQSZACIVSA-N 310.419 1.273 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 31402448 XOOFGYCLFJEGTJ-UONOGXRCSA-N 312.373 1.441 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@H](CC(C)C)C(=O)N(C)C)c1 40536245 RMIVWVPQJVJCRS-OAHLLOKOSA-N 322.405 1.937 0 40 DDAB O=S(=O)(NC[C@@H]1CCCNC1)c1ccccc1C(F)(F)F 20473822 RRPRDUGCQMLPNH-SNVBAGLBSA-N 322.352 1.983 0 40 DDAB COc1cccc(CNC(=O)CS(=O)(=O)c2ccccn2)c1 40539948 SGASSQARHOJYBY-UHFFFAOYSA-N 320.370 1.180 0 40 DDAB Cc1cccc(NC(=O)Cn2cc(Br)ccc2=O)n1 40512460 FAZBUPISPKOLFF-UHFFFAOYSA-N 322.162 1.953 0 40 DDAB COc1ccc(C)cc1[C@H](C)NC(=O)CN(C)S(C)(=O)=O 40505153 XKMUWSUAOJYGLI-NSHDSACASA-N 314.407 1.072 0 40 DDAB O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(CC2CC2)C1 40506086 ZJECUNGFVUAULK-AWEZNQCLSA-N 304.365 1.743 0 40 DDAB CCN(C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)C1CC1 32329544 FHCQSKKBZRETKE-UHFFFAOYSA-N 321.402 1.451 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccs2)CC1 32770974 XKLLNJMLGQELGK-SNAWJCMRSA-N 314.432 1.302 0 40 DDAB CN(CCC(=O)NC(N)=O)Cc1ccc(OC(F)(F)F)cc1 32777496 FGWPCLFPMFUEOF-UHFFFAOYSA-N 319.283 1.602 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C1 41132289 BOXRLKKMSYCLKP-QMMMGPOBSA-N 307.400 1.819 0 40 DDAB O=C(O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 11865969 YPPNHSVIBIHTML-UHFFFAOYSA-N 301.327 1.901 0 40 DDAB COc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 211305 XISGCZHRJWVHHR-UHFFFAOYSA-N 303.343 1.610 0 40 DDAB Cc1c(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cnn1C 29893699 JSNAWAWSBZCKHS-SNVBAGLBSA-N 302.382 1.537 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ncnc2c1cnn2C 69951150 GVXVDESSKWDENK-KBPBESRZSA-N 314.393 1.343 0 40 DDAB CN(CC(N)=O)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 60564840 CWSHEKZLGMFDRI-NSCUHMNNSA-N 310.737 1.068 0 40 DDAB O=C(CN1CC[C@H](CSc2ccccc2)C1)N1CCOCC1 75964556 NJPYNPMFMKCTAD-HNNXBMFYSA-N 320.458 1.959 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCn2c(nnc2C2CC2)C1 78788118 QCCWKMFNVHUKIY-CHWSQXEVSA-N 317.437 1.761 0 40 DDAB C[C@@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccc(F)c(F)c1 78821842 ARTHEOHNBRGTDG-MWLCHTKSSA-N 300.305 1.429 0 40 DDAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCO[C@H](CO)C1 78936179 DFTGPZJWRKUAEW-JSGCOSHPSA-N 306.362 1.140 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NCc1ccco1 3072980 FCBZAKPPJOSQNC-UHFFFAOYSA-N 306.749 1.908 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cs1 6680959 WQPRHSTTZHNLKP-SNVBAGLBSA-N 316.448 1.918 0 40 DDAB CCCNC(=O)C(=O)Nc1ccn(Cc2ccc(C)cc2)n1 2788194 BSAVKDLSNBBFOZ-UHFFFAOYSA-N 300.362 1.705 0 40 DDAB O=C1C[C@@H](C(=O)N(C[C@H]2CCOC2)C2CC2)CN1C1CCCC1 46937072 PJCQYNQISYJHIS-ZIAGYGMSSA-N 320.433 1.805 0 40 DDAB Cc1ccc(Cl)cc1N(CCCC(N)=O)S(C)(=O)=O 10363319 HUZZFMFMUAKRQA-UHFFFAOYSA-N 304.799 1.680 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2ccncc2)no1 12389432 ZEBQHTQSIXTVAD-CYBMUJFWSA-N 310.313 1.595 0 40 DDAB COCCOC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 53706882 XSTDYTSMLJUAKD-CYBMUJFWSA-N 306.362 1.192 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cc(-c2ccccc2)no1 54151221 WVMQDRFOIJMUGO-UHFFFAOYSA-N 309.329 1.809 0 40 DDAB COCC[C@H]1CN(c2nccc(-c3cnn(C)c3)n2)CCO1 23145098 RMZLXKYDIWUIBF-ZDUSSCGKSA-N 303.366 1.119 0 40 DDAB CS(=O)(=O)CCCNC(=O)c1ccc(-n2cccc2)cc1 47696320 UJCOXXALINNUJL-UHFFFAOYSA-N 306.387 1.642 0 40 DDAB COc1cccc(N2CCN(C(=O)CCn3cccn3)CC2)c1 54454728 MVHJGQXBUMPKRM-UHFFFAOYSA-N 314.389 1.631 0 40 DDAB Cc1csc(N2CCN(CC(=O)N3CCCCC3)CC2)n1 42656083 VGLXFMFVXBYXEJ-UHFFFAOYSA-N 308.451 1.586 0 40 DDAB NC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(N)=O)c1 1022419 YCMFWMXCJQUKPL-UHFFFAOYSA-N 301.277 1.276 0 40 DDAB Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c1 101273997 PCQJXBNHKWBSQV-OAHLLOKOSA-N 301.390 1.183 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccncc1 24605325 UNEOVPREAICOMU-UHFFFAOYSA-N 319.386 1.061 0 40 DDAB CCOC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1 20745901 XWGIFHOHQSMGJK-UHFFFAOYSA-N 305.290 1.784 0 40 DDAB Cc1nc(NC(=O)Cn2nnc3ccccc3c2=O)sc1C 1328179 BILJXSYJMWDRFP-UHFFFAOYSA-N 315.358 1.504 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1cccnc1 106771834 YHWNQEJBDGVCDY-ULQDDVLXSA-N 317.433 1.754 0 40 DDAB Cc1csc(NC(=O)CN2CCn3c(nc(C)c3C)C2)n1 97201764 ACWIDRVJJTUEHP-UHFFFAOYSA-N 305.407 1.719 0 40 DDAB CC[C@H](C)Oc1ccccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 102171523 FLJWLKKWDHAGSC-JOYOIKCWSA-N 315.333 1.834 0 40 DDAB Cn1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cn1 25308321 BTQUMWWVDDJXLN-UHFFFAOYSA-N 320.736 1.438 0 40 DDAB CC(=O)N1CCc2cc(C(=O)OCC(=O)c3ccc[nH]3)ccc21 12686781 ZEQRGWMAYSRXNB-UHFFFAOYSA-N 312.325 1.963 0 40 DDAB C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc2c(c1)OCCO2 26881362 HJYTYJOWIWPDGI-LLVKDONJSA-N 323.370 1.960 0 40 DDAB COc1cc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)ccn1 48263884 VURSCHFVZNAACJ-UHFFFAOYSA-N 320.370 1.424 0 40 DDAB CC(C)[C@@H]1CCCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 48287474 IUECCGPFOPRBRG-HNNXBMFYSA-N 324.446 1.914 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nnsc1Cl 26917370 GPANFFQMBFVYSG-GFCCVEGCSA-N 322.821 1.864 0 40 DDAB Cc1ccc(CN(C)C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)o1 44513722 UCXQYFQRNFASDT-CYBMUJFWSA-N 316.423 1.510 0 40 DDAB O=C(NCCNC[C@H]1CNc2ccnn2C1)c1ccccc1F 58299768 SIVZOYBINNCZMP-LBPRGKRZSA-N 317.368 1.084 0 40 DDAB Cn1nccc1C1CCN(CC(=O)NCc2ccco2)CC1 58297385 UWRZOCHDSYRQKI-UHFFFAOYSA-N 302.378 1.509 0 40 DDAB COc1ccc(-c2noc(=O)n2Cc2noc(C)n2)cc1OC 58289755 JBSHYDNAGACVIA-UHFFFAOYSA-N 318.289 1.260 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)O 2105158 JCFPMPHELOZYDY-RNCFNFMXSA-N 308.334 1.714 0 40 DDAB biogenic CC(C)c1noc([C@@H](C)N2CCC(C(=O)NC[C@@H](C)O)CC2)n1 44950969 FKVFBIWIBZMYRT-VXGBXAGGSA-N 324.425 1.463 0 40 DDAB Cc1csc(CNC(=O)NCC(C)(C)N2CCOCC2)n1 44949570 YHFLAIFZAYYIIS-UHFFFAOYSA-N 312.439 1.362 0 40 DDAB CC(C)[C@H](C)N(C)C(=O)NCCCn1nc2n(c1=O)CCCC2 44972168 CDMCTXHJFFDTRT-ZDUSSCGKSA-N 323.441 1.457 0 40 DDAB CN(C)c1nc(N)nc(COc2cccc3c2CCC[C@H]3O)n1 58327535 ZLYUGVGMVHCDHD-GFCCVEGCSA-N 315.377 1.469 0 40 DDAB CCNC(=O)c1ccc(CNC[C@H]2CNc3ccnn3C2)cc1 58304924 IGVDRAFVCWFTSI-AWEZNQCLSA-N 313.405 1.464 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)N(C)Cc2cccc(F)c2)C1=O 12733845 KPRLOHABXORHNN-CYBMUJFWSA-N 321.352 1.505 0 40 DDAB Cc1cc(C)n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2n1 36644107 LQPQREAOUGBYCU-UHFFFAOYSA-N 318.362 1.132 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(C)cc1 12877273 MIAREPJOEORIFB-CQSZACIVSA-N 314.341 1.718 0 40 DDAB CCCCN(CC(N)=O)C(=O)Cn1ccc(C(F)(F)F)n1 45746176 QTRAAHRKOPQHFE-UHFFFAOYSA-N 306.288 1.016 0 40 DDAB O=C(OCC(=O)N1CCCC1)c1cc(=O)[nH]c2ccccc12 3453466 UGKOMLMTYCVFFJ-UHFFFAOYSA-N 300.314 1.307 0 40 DDAB COC1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 13454932 HVBVUELNFKUERO-UHFFFAOYSA-N 305.377 1.246 0 40 DDAB COC(=O)[C@H](c1ccc(Br)cc1)N1CCOCC1 71910634 LSCMIPSWDCKLSC-LBPRGKRZSA-N 314.179 1.995 0 40 DDAB COc1ccc(CC(=O)N(C)CC(=O)NCc2ccco2)cc1 14083903 NIVGGQHDHLXTGN-UHFFFAOYSA-N 316.357 1.606 0 40 DDAB Cc1oc(C)c(C(=O)N2CC[C@@H](C(N)=O)C2)c1Br 65518299 VXKVADHBSYNEPV-MRVPVSSYSA-N 315.167 1.606 0 40 DDAB CCOc1ncccc1NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC 65607811 FLFANINFIYFEGV-WDEREUQCSA-N 308.382 1.905 0 40 DDAB Cc1ccccc1CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 8924839 NMCIZFVKYKJIKA-UHFFFAOYSA-N 323.352 1.315 0 40 DDAB CCCN1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9016060 VTUFPGSEQGPLKE-QGZVFWFLSA-N 315.373 1.462 0 40 DDAB Cc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)c(C)c1 9156997 GHYKJYRYLUDPFR-UHFFFAOYSA-N 311.345 1.192 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2scnc2C)C1 66563081 MFHSLOJHUFIUGR-CYBMUJFWSA-N 324.450 1.010 0 40 DDAB COC(=O)N1CCCN(Cc2ncc(C)c(OC)c2C)CC1 67227465 XDLBPIBPMZLLFW-UHFFFAOYSA-N 307.394 1.981 0 40 DDAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccnc1 9368852 CBTYVRZGYIWHFG-NSHDSACASA-N 308.341 1.738 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C(N)=O)C1 8171617 JFODEFDMHSSXRX-NEPJUHHUSA-N 305.378 1.220 0 40 DDAB C[C@@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8192214 ARDWGPATFSWEOG-FPMFFAJLSA-N 313.357 1.038 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2cc(C)no2)c1 70039663 HVIJXQAPZFYEID-CYBMUJFWSA-N 303.366 1.591 0 40 DDAB COC(=O)Nc1cc(NC(=O)C(=O)NCC2CC2)ccc1F 69377440 DQAORVWOVLRYLO-UHFFFAOYSA-N 309.297 1.469 0 40 DDAB Cc1ccc(N2CCCN(C(=O)CC[C@H]3CCCO3)CC2)nn1 69493109 ZUYGPAPVHOSYRL-OAHLLOKOSA-N 318.421 1.783 0 40 DDAB CCCS(=O)(=O)NCc1ccccc1N1CCN(C)CC1 69627371 RYAJTLNRNZPKCO-UHFFFAOYSA-N 311.451 1.268 0 40 DDAB CC(C)CNC(=O)COC(=O)c1cc(Cl)c2c(c1)OCO2 8546832 FPFCKUFTUZVKSQ-UHFFFAOYSA-N 313.737 1.998 0 40 DDAB Cc1cccc(/C=C/C(=O)N2CCCN(CC(N)=O)CC2)c1 69813429 ZLZHNIXIRHTJQQ-VOTSOKGWSA-N 301.390 1.028 0 40 DDAB Cc1nc(CC(=O)NC[C@H](O)COc2ccc(F)cc2)cs1 71889234 ACMJSNRFOGGBNM-ZDUSSCGKSA-N 324.377 1.689 0 40 DDAB C[C@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CC(C)(C)O1 71831207 FNCSMXSRRCZIII-LBPRGKRZSA-N 300.362 1.907 0 40 DDAB CC[C@@H]1CN(C(=O)CNc2ccc(F)c(C(=O)OC)c2)CCO1 71830881 YICNHISWKAQUOQ-GFCCVEGCSA-N 324.352 1.662 0 40 DDAB CCOC(=O)C1CCN(C(=O)NCc2ccc(OC)nc2)CC1 9736226 HRQIRPOVPXLVLE-UHFFFAOYSA-N 321.377 1.575 0 40 DDAB COCc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)o1 97299115 NYCYDIXFALNLRK-UHFFFAOYSA-N 323.370 1.760 0 40 DDAB COC(=O)c1cc(CNC(=O)N2CCC[C@@H](CO)C2)oc1C 84028455 KHUXGRCOPMAWHS-LLVKDONJSA-N 310.350 1.289 0 40 DDAB COCCN1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1=O 97235466 HTPGTUUZQNFSFT-UHFFFAOYSA-N 314.389 1.367 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 95404138 HHMNKMMZIUSRKV-QEJZJMRPSA-N 322.430 1.378 0 40 DDAB CO[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 95400513 RTCSKMMPNZTSIJ-IRXDYDNUSA-N 318.417 1.525 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 95976709 RHLCFVGNKDNQKG-CQSZACIVSA-N 318.373 1.763 0 40 DDAB CC(=O)NCCCS(=O)(=O)c1ncc(-c2ccccc2)n1C 95977401 BZPKKYOXUTZFFN-UHFFFAOYSA-N 321.402 1.387 0 40 DDAB Cn1nc(C(=O)Nc2nc(-c3cccs3)ns2)ccc1=O 95996134 QLBDUFKQKDAWIV-UHFFFAOYSA-N 319.371 1.613 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@](C)(O)C3)CC2=O)cc1 75093337 WMZZSXGWQGWCLX-YJBOKZPZSA-N 316.401 1.327 0 40 DDAB Cc1ccccc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 75057154 GTCJHDCZZUOSIV-UHFFFAOYSA-N 322.430 1.674 0 40 DDAB O=S1(=O)N=C(N[C@H]2CCN(CC3CC3)C2)c2ccccc21 89857695 LODLYTHPULWOJE-LBPRGKRZSA-N 305.403 1.209 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cn(C)nc1C)CC2 89986503 VOITXMSJSROMLR-ZIAGYGMSSA-N 307.394 1.121 0 40 DDAB CCOC(=O)c1cnn2c(C(=O)NC3CCCCC3)ccnc12 89984913 IMJJAWIYZPNAEC-UHFFFAOYSA-N 316.361 1.969 0 40 DDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cnc(N(C)C)s1 89937644 MCPYEIVLWDKMEW-RISCZKNCSA-N 322.478 1.946 0 40 DDAB Cc1noc(CN(C)C[C@H](c2cccs2)N2CCOCC2)n1 75603743 DZVNLDRVYBYGCW-CYBMUJFWSA-N 322.434 1.945 0 40 DDAB Cn1cnnc1CN1CCOC[C@@H]1CC(=O)c1ccccc1 134067065 ZDURBWNDTMUGBH-AWEZNQCLSA-N 300.362 1.289 0 40 DDAB Cn1cc(NC(=O)[C@H]2CCC(=O)N2Cc2cccs2)cn1 72239685 BJUNDCFCHUJWLW-GFCCVEGCSA-N 304.375 1.611 0 40 DDAB O=C(COc1cc(C(=O)O)cc(C(=O)O)c1)NCc1ccco1 217725839 OYBWHUPKWAVSKX-UHFFFAOYSA-N 319.269 1.371 0 40 DDAB Cc1nc([C@@H](NS(=O)(=O)N(C)C)c2ccccc2F)no1 79354796 NYBOSAFKBKCRQO-NSHDSACASA-N 314.342 1.003 0 40 DDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccs1 71980141 VKAWVJCCVIKRPW-NSHDSACASA-N 324.402 1.486 0 40 DDAB CCn1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)o2)n1 72241032 LBVUUOSKKWTTQS-ZDUSSCGKSA-N 316.361 1.934 0 40 DDAB O=C(O)C[C@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(F)cc1 565361279 KVOSNUDAWLJGLP-RYUDHWBXSA-N 317.338 1.050 0 40 DDAB CCN(C(=O)[C@@]1(N)CCc2c(OC)cccc21)c1cnn(C)c1 1577627634 JZQIIMVRAINFLF-QGZVFWFLSA-N 314.389 1.582 0 40 DDAB CN1CCN(c2ccc(N)cc2NC(=O)c2cccnc2)CC1 226259440 SSINWZIVLRDMHN-UHFFFAOYSA-N 311.389 1.668 0 40 DDAB CCCNC(=O)Cn1cc(COc2ccc(OC)cc2)nn1 227162939 MJUGESSQPXQHFI-UHFFFAOYSA-N 304.350 1.392 0 40 DDAB Cc1[nH]nc2ncc(NC(=O)[C@H]3CCc4nnn(C)c4C3)cc12 572566539 QDKUZXXAJJALGY-VIFPVBQESA-N 311.349 1.138 0 40 DDAB Cc1cc2c(=NC(c3nccn3C)c3nccn3C)[nH]ccn2n1 528131279 OIPVYSHCQDSSGD-UHFFFAOYSA-N 322.376 1.128 0 40 DDAB CC1(C)CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@H]1[C@H]1CCCO1 573295824 MHIVNXKXHABSKP-YUELXQCFSA-N 318.421 1.866 0 40 DDAB COc1cccc(NC(=O)c2cc(N3CCOCC3)on2)c1 224076166 KISVMNDCXDFZSZ-UHFFFAOYSA-N 303.318 1.772 0 40 DDAB Cc1nccc(CNC(=O)Nc2ccn(Cc3ccccn3)n2)n1 96435061 LNDBQVQOVGIRIF-UHFFFAOYSA-N 323.360 1.747 0 40 DDAB CCOCC(=O)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96073296 HDHBJSLMHDOQJB-HNNXBMFYSA-N 320.389 1.647 0 40 DDAB Cc1n(S(=O)(=O)OCC(Cl)(Cl)Cl)cc[n+]1C 96373301 JETJDDUGOIHUHR-UHFFFAOYSA-N 308.594 1.101 0 40 DDAB in-vitro Cc1nnc(C[S@](=O)c2ccc3c(c2)OCCCO3)n1C 97097925 GFBRVFJOQYXDLW-OAQYLSRUSA-N 307.375 1.593 0 40 DDAB Cc1cccc2nc(CNS(=O)(=O)CC3CCOCC3)cn12 96427971 BJTAIPLIYXPMOJ-UHFFFAOYSA-N 323.418 1.489 0 40 DDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1cccnc1)C2 248033503 UGBOGVPDLWAQJA-AWEZNQCLSA-N 321.446 1.246 0 40 DDAB CC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C 247975380 ZTXSVDBCHZLXCX-LLVKDONJSA-N 316.361 1.258 0 40 DDAB COc1ccc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)cc1 257243411 IGVPRESNLAZBRO-OAHLLOKOSA-N 305.374 1.841 0 40 DDAB Cn1cccc1C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257340065 ZEHMJOKAFFSJBZ-FVQBIDKESA-N 315.373 1.511 0 40 DDAB CN1CCO[C@@](Cc2ccccc2)(C(=O)NC2(C)CCC2)C1 257241462 HYCISYIPLKDBHN-GOSISDBHSA-N 302.418 1.989 0 40 DDAB O=S(=O)(N[C@@H]1CCNC1)c1ccccc1OC(F)(F)F 52093463 BLOUVAHKSWSPGO-MRVPVSSYSA-N 310.297 1.225 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257318941 VQAJWAFAPYMEQZ-CYBMUJFWSA-N 302.334 1.604 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 42865927 RAOHASKVHPCEAS-GXFFZTMASA-N 303.362 1.720 0 40 DDAB C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1ccc2c(c1)OCCO2 263528303 VDWNHWFGYVXCLX-PWSUYJOCSA-N 305.330 1.783 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1C=CS(=O)(=O)C1 575422174 NBEMNWJUYXHDTI-GFCCVEGCSA-N 319.386 1.320 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cccc(C)n1)[C@@H](C)C2 585098555 USRLUTHRGSXDKM-LBPRGKRZSA-N 315.377 1.215 0 40 DDAB O=C(CN1CCC[C@@]2(CCC(=O)O2)C1)NCc1cccc(F)c1 585282782 HUJWMAIIQMLUKF-QGZVFWFLSA-N 320.364 1.614 0 40 DDAB CO[C@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1Cc1ccc(C)cc1 585278286 BJMFFWOADCDHDS-SJORKVTESA-N 318.417 1.537 0 40 DDAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cn1 585097265 JMQKBXDAMFFASS-HNNXBMFYSA-N 313.405 1.563 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(-c3cccnc3)no1)C2 69559596 FDSKTIWUPZFILB-UHFFFAOYSA-N 311.349 1.301 0 40 DDAB Cc1ccc([C@@H](O)CN2CCO[C@H](Cn3cncn3)C2)cc1C 70011521 GDTBGMHMBIIWKI-IRXDYDNUSA-N 316.405 1.329 0 40 DDAB CC(C)(C)OC(=O)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O 953095658 XIAXWIVMOSPZCZ-SNVBAGLBSA-N 314.382 1.454 0 40 DDAB O=C(CNc1cnc([C@H]2CCCNC2)cn1)N1CCCCC1 72365284 DJDRKQVGLHVPFC-ZDUSSCGKSA-N 303.410 1.368 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)s1 42191528 CFNCOYZYKGNMFR-OCCSQVGLSA-N 309.412 1.993 0 40 DDAB O=S(=O)(c1ccccc1F)N1CC[C@@](O)(C(F)(F)F)C1 97020713 SRUHUEMLPRROMT-JTQLQIEISA-N 313.272 1.514 0 40 DDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NC(C)C)c(=O)c21 12183653 XOSPHYICUWYLQC-UHFFFAOYSA-N 316.361 1.797 0 40 DDAB CN1CCC[C@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12195210 LVYSOSRQPZVRJQ-NSHDSACASA-N 323.780 1.458 0 40 DDAB COC(=O)/C=C/c1cc(S(=O)(=O)NC2CC2)ccc1OC 12371063 GNJJGWWCQOQWCZ-FPYGCLRLSA-N 311.359 1.322 0 40 DDAB biogenic,in-vitro COc1ccc(OC)c(S(=O)(=O)NC2CCN(C)CC2)c1 14252204 CPJBMYIRBHLODI-UHFFFAOYSA-N 314.407 1.076 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1Cl 17056742 CEHHARBVLAPYBK-VOAKCMCISA-N 323.732 1.941 0 40 DDAB OCC[C@H]1CN2CCC[C@@H]2CN1CC1=Cc2ccccc2OC1 19375121 DRDMVAYTNIFCJE-MSOLQXFVSA-N 314.429 1.993 0 40 DDAB C[C@H](NC(=O)c1cccnc1)c1cc(=O)[nH]c(-c2cccnc2)n1 19458465 ALWXUPJIUVVZNA-NSHDSACASA-N 321.340 1.718 0 40 DDAB Cc1ccc([C@@H](CNC(=O)NC2CCOCC2)OCCO)cc1 225558252 ISZACGKFNQJHOQ-MRXNPFEDSA-N 322.405 1.523 0 40 DDAB O=C(NCC1CCN(C2CCSCC2)CC1)[C@@H]1CCOC1 252527480 CQLQHIYCDPZZSB-CQSZACIVSA-N 312.479 1.747 0 40 DDAB O=C(N[C@@H](COC(F)(F)F)C(=O)O)OCc1ccccc1 1848350327 QXYCHPXOUNLYPG-VIFPVBQESA-N 307.224 1.902 0 40 DDAB Cc1nn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)c2ccccc12 21301975 OKKLZDYHJJCCGE-RYUDHWBXSA-N 315.373 1.341 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1CCOC(C)(C)C1 30378641 DTTONACSLQWNIG-UHFFFAOYSA-N 319.404 1.334 0 40 DDAB COc1c(C)cccc1CN1CC[C@@]2(COCC(=O)N(C)C2)C1 2037983704 CQZSJMXVOGPCAX-SFHVURJKSA-N 318.417 1.684 0 40 DDAB Cn1cnc(S(=O)(=O)NC[C@H](N)c2ccccc2)c1Cl 95432030 AOJQXCSNSMUGGX-JTQLQIEISA-N 314.798 1.052 0 40 DDAB O=C(CC1(O)CCC1)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1017537265 BSIROYCNBAZLNX-HOTGVXAUSA-N 315.417 1.562 0 40 DDAB CCN1CCn2nnc(CNC(=O)[C@@]3(C)CC=CCC3)c2C1=O 1614941140 OAXKIOHBJJWGCG-INIZCTEOSA-N 317.393 1.116 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@]12CCN(C(=O)c1csnn1)C2 1565549836 GCHNZUYTTNKHJN-HZMBPMFUSA-N 306.391 1.059 0 40 DDAB CO[C@@H]1COC2(CCN(C(=O)c3ncnc(C)c3C)CC2)C1 1565544115 DJSBQTLJBCRQPO-ZDUSSCGKSA-N 305.378 1.504 0 40 DDAB NC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1 4164367 DVMXZEMODLIYFW-UHFFFAOYSA-N 303.322 1.508 0 40 DDAB CCNC(=O)Cn1c(CO)cnc1SCc1cccc(F)c1 9827416 MMPXRMQYUIYWGS-UHFFFAOYSA-N 323.393 1.943 0 40 DDAB Cc1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1 15862238 ABAIBUGLXHIXMA-UHFFFAOYSA-N 322.386 1.038 0 40 DDAB COc1ccc(Cl)cc1NC(=O)NCCn1ncccc1=O 23237040 MVVLDIRHEGHLKK-UHFFFAOYSA-N 322.752 1.727 0 40 DDAB Cc1nnsc1C(=O)NCCn1ccnc1-c1ccccn1 217861254 XRZSRGFDVMOHPM-UHFFFAOYSA-N 314.374 1.535 0 40 DDAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 40498643 UITIPDCYHSMATD-NEPJUHHUSA-N 311.403 1.649 0 40 DDAB O=C(CCCn1cnc2ccccc2c1=O)N1CCSCC1 40542074 IDPJDHCDKWYBSW-UHFFFAOYSA-N 317.414 1.752 0 40 DDAB Cc1nccn1CCCNC(=O)c1ccc(NC(N)=O)cc1 40555825 WTEQDUCHWOCYKL-UHFFFAOYSA-N 301.350 1.502 0 40 DDAB COc1ccc(OC[C@@H](O)CN2CCC(CC(N)=O)CC2)cc1 40540753 DUODZYRVTZFULE-AWEZNQCLSA-N 322.405 1.022 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c2c(=O)[nH]c(=O)[nH]c2n1 20607269 HBCBDBLSKJQBLL-LDYMZIIASA-N 316.361 1.228 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c(C)c1 32392169 OUDJCAQHXVOXFJ-INIZCTEOSA-N 318.398 1.914 0 40 DDAB Cc1noc(C)c1COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102217260 MRFYCNVLFUTENU-TXEJJXNPSA-N 320.345 1.510 0 40 DDAB Cc1csc(CNCC(C)(C)N2CCS(=O)CC2)n1 84268369 WIAWMBALCKZHJW-UHFFFAOYSA-N 301.481 1.384 0 40 DDAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN(C)C 294030 CDIZRJLDMWTPTD-UHFFFAOYSA-N 307.325 1.984 0 40 DDAB Cn1c(=O)c2nc3sc(-c4ccccc4)cn3c2n(C)c1=O 408969 QBPGORLMEZSABL-UHFFFAOYSA-N 312.354 1.613 0 40 DDAB CS(=O)(=O)c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1 69972384 QCSNOUYDRDFPFU-HNNXBMFYSA-N 324.446 1.043 0 40 DDAB C[C@H](CNC(=O)c1cc(Cl)c(Cl)n1C)N1CCOCC1 29964216 FMWLPYBZFJBELZ-SECBINFHSA-N 320.220 1.782 0 40 DDAB Cc1ncc(CNC(=O)C(=O)Nc2c(F)cccc2F)s1 76018326 RSSZOFHZGSFZCH-UHFFFAOYSA-N 311.313 1.985 0 40 DDAB O=C(CCCn1cncn1)N1CCC[C@@H]1c1noc(C2CC2)n1 76044616 SOKDENVWEPVGSC-GFCCVEGCSA-N 316.365 1.682 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCCO3)CCO2)n1 76046344 UIIZUBKIPUMKLJ-GHMZBOCLSA-N 308.382 1.181 0 40 DDAB C[C@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@@H]1N1CCOCC1 76054014 HLOITPDQVPNPFJ-JSGCOSHPSA-N 321.421 1.765 0 40 DDAB O=C(CS(=O)(=O)Cc1ccc(F)cc1Cl)NCC1CC1 32929704 LFBOJZDSFLYCEI-UHFFFAOYSA-N 319.785 1.920 0 40 DDAB CCN1C(=O)N/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 4699450 LVFSPIHMACSUAG-FLIBITNWSA-N 306.318 1.625 0 40 DDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc(F)cc1 41605940 GTZDDLZZFRAYLG-SECBINFHSA-N 324.337 1.519 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 100634735 CNSGYHNQURHNQW-YRBFXIGRSA-N 313.353 1.532 0 40 DDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCC(C)C)cc1 22689833 ZUDWOKXTMITRJJ-RSPDNQDQSA-N 304.390 1.985 0 40 DDAB CC[C@@H](CO)NC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12391003 NAYOHRKYAKSIAP-VIFPVBQESA-N 300.318 1.719 0 40 DDAB Cn1c(SCCN2CCOCC2)nc2ccsc2c1=O 23640914 RYDKQZXRGZKOPA-UHFFFAOYSA-N 311.432 1.419 0 40 DDAB CC(C)NC(=O)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263394 CNLDPMYUQRZYTP-YESZJQIVSA-N 302.418 1.843 0 40 DDAB CN(C)c1nccc(N2CCN(CCc3ccccc3)CC2)n1 134152893 HNLXJYJZNMNMOE-UHFFFAOYSA-N 311.433 1.907 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1cccnc1 1481401 APIXWBSELYKOII-ZDUSSCGKSA-N 303.318 1.532 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)N1CCC(C)CC1 107504782 BFNYVNLERCNOQT-OIISXLGYSA-N 323.481 1.870 0 40 DDAB Cc1cc(C)n(CCCNC(=O)CCc2cnn(C)c2C)n1 28573236 XZNZUBXXAYVNFR-UHFFFAOYSA-N 303.410 1.681 0 40 DDAB COCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108118756 KDSDPDAELIETMK-KCQAQPDRSA-N 308.422 1.566 0 40 DDAB CC[C@H]1CN(C(=O)Nc2ccc(OCCOC)nc2)CCO1 69384594 BFFJPWMDQUPCIR-ZDUSSCGKSA-N 309.366 1.750 0 40 DDAB C[C@@H]1CCC[C@H](NS(=O)(=O)CCn2nnc3ccccc32)C1 26875749 CEASJCCIFXXCEC-OLZOCXBDSA-N 322.434 1.929 0 40 DDAB O=C(CC(F)(F)F)N1CCN(C(=O)Nc2cccnc2)CC1 58213219 HCSWGTCXSYDCDT-UHFFFAOYSA-N 316.283 1.710 0 40 DDAB COC(=O)c1cc(NC(=O)c2coc(C)n2)cc(C(=O)OC)c1 22538451 IOILEHHJRJGKDV-UHFFFAOYSA-N 318.285 1.809 0 40 DDAB Cn1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2F)cn1 58232442 YRONYCYMVOGKTB-UHFFFAOYSA-N 317.273 1.197 0 40 DDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1F 58277418 JWQJDGKVIHHCDF-JTQLQIEISA-N 318.345 1.254 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 62132681 AQBKKJVLHFWXGI-SECBINFHSA-N 303.767 1.744 0 40 DDAB C[C@H]1COCCN1C(=O)C1CCN(c2ccc(Cl)nn2)CC1 44912193 LDKUHBMSKWTBFF-NSHDSACASA-N 324.812 1.594 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1S(C)(=O)=O 48265446 OPFKIBQSXXGWCT-LBPRGKRZSA-N 311.403 1.589 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 28202247 UAEXZFFDRSKFGW-AWEZNQCLSA-N 304.390 1.809 0 40 DDAB O=C(NC1CCC(O)CC1)N1CCN(c2nccs2)CC1 45547589 QCXJZRPVOYEBGF-UHFFFAOYSA-N 310.423 1.278 0 40 DDAB C[C@H]1CCCc2sc3nc(SCC(N)=O)n(N)c(=O)c3c21 36646182 UVMGCMZXUVDIOO-LURJTMIESA-N 324.431 1.189 0 40 DDAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCCCn1cncn1 45647356 ZQVOESOCPKRKCV-LLVKDONJSA-N 321.356 1.876 0 40 DDAB O=C1CN(C(=O)COc2ccccc2C(F)(F)F)CCN1 48324850 XRPNFFZRIUKOTF-UHFFFAOYSA-N 302.252 1.043 0 40 DDAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(O)cc1O 3531534 UQUSYPQOHSJXOD-UHFFFAOYSA-N 318.310 1.524 0 40 DDAB COc1ccccc1[C@H](O)CNCc1c(C)nn(C)c1OC 69517812 PQXBEANETMHXIP-CQSZACIVSA-N 305.378 1.569 0 40 DDAB Cc1ncc2c(n1)CN(Cc1nnnn1-c1ccccc1)CC2 69534259 NQRGGNNTGJQHPP-UHFFFAOYSA-N 307.361 1.319 0 40 DDAB Cc1ccccc1C1(CNC(=O)N[C@@H](C)C(=O)N(C)C)CC1 69569145 XEBGGNWIIOOMLJ-ZDUSSCGKSA-N 303.406 1.803 0 40 DDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCC1CCCC1 65453973 KWPAATOIYAWCHA-UHFFFAOYSA-N 321.402 1.032 0 40 DDAB COc1ccc([C@H](NC(=O)CCn2cncn2)C2CC2)cc1 65451969 UGLMVINWIZOVGO-MRXNPFEDSA-N 300.362 1.944 0 40 DDAB CCN(C)CCNC(=O)C1CCN(C(=O)c2ccco2)CC1 65415539 FUQWEFTUBBAZRC-UHFFFAOYSA-N 307.394 1.200 0 40 DDAB CCCCN(CCCC)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 4426010 SKFYVULSUKNIEX-LBPRGKRZSA-N 311.469 1.406 0 40 DDAB Nc1nc(N2CCN(c3ncccn3)CC2)nc2ccccc12 5338586 HPZDYGZFWWNKLZ-UHFFFAOYSA-N 307.361 1.329 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C[C@H](O)c2ccccc2F)CC1 69627627 BVGWDZBFVOJRJF-DLBZAZTESA-N 324.440 1.884 0 40 DDAB Cc1cc(C)n(CC(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)n1 17732637 VFFYWSCOZUWGNP-BXUZGUMPSA-N 307.394 1.738 0 40 DDAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCC(=O)OCc1ccccc1 69776075 YRSNGSANAXOYJH-LLVKDONJSA-N 315.373 1.990 0 40 DDAB CC(=O)N1C[C@H]2c3nc(N(C)C)ncc3CN(CC3CC3)[C@H]2C1 306123322 AKCHKVVHSBKJNA-CABCVRRESA-N 315.421 1.083 0 40 DDAB O=C(/C=c1\sc2n(c1=O)CCCN=2)Nc1ccc(Cl)cc1 4704088 JKZQQFPTHAAQFW-FLIBITNWSA-N 321.789 1.006 0 40 DDAB CCOCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 4731938 QDBBUAXXESNLFT-ZDUSSCGKSA-N 320.389 1.591 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)c2ccccc2C1=O 5696681 PWHKPZMQAPVHNS-FZMZJTMJSA-N 300.358 1.978 0 40 DDAB C[C@H](OC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(N)=O 5626867 HEZPPVHOAOYQJE-JGVFFNPUSA-N 316.151 1.633 0 40 DDAB Cc1cc(NC(=O)CNc2ccccc2C(=O)NC2CC2)no1 14810565 HNJMOXFATJLYKF-UHFFFAOYSA-N 314.345 1.926 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H](Cn2cncn2)C1 69818110 VRAXJNLBBWBTJN-WFASDCNBSA-N 317.368 1.356 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1OC 4942691 VJWKNAQDLGZJSW-SNVBAGLBSA-N 302.290 1.279 0 40 DDAB Cc1ncsc1C(=O)NC[C@H](O)COc1ccc(F)cc1 67147041 BQPTYFSSRSJCKJ-NSHDSACASA-N 310.350 1.760 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)s1 15788693 SLSAXTTZHISOAF-UHFFFAOYSA-N 314.363 1.465 0 40 DDAB COC(=O)c1cc(CN(C)CN2C(=O)[C@H]3CCC[C@H]32)oc1C 83083948 WXXUHLJENZKYRG-GXTWGEPZSA-N 306.362 1.775 0 40 DDAB CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 7701854 ZFPWVPHJRQEGRA-UHFFFAOYSA-N 324.446 1.711 0 40 DDAB Cc1nc(-c2ccccn2)nc(Nc2cnn(CC(N)=O)c2)c1C 68668880 YMIFTVQOWQBWHF-UHFFFAOYSA-N 323.360 1.581 0 40 DDAB CCOC(=O)CN(CC(C)C)C(=O)[C@H](C)NC(=O)c1ccoc1 68935319 UAUNDVBRQPWNGY-LBPRGKRZSA-N 324.377 1.446 0 40 DDAB CCOc1cccc(CNC(=O)[C@H]2CCCCS2(=O)=O)c1 96011810 WQYSLWLKYDBZQF-CQSZACIVSA-N 311.403 1.669 0 40 DDAB CC(C)n1ccc(CC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 72300511 MWUPZWRFNWHNEM-HOCLYGCPSA-N 320.437 1.186 0 40 DDAB COc1cccc(CNC(=O)COC(=O)c2ccc(C)nc2)c1 72330248 RDRCPRRSIZVDMD-UHFFFAOYSA-N 314.341 1.872 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1ncc(C(C)(C)C)o1)CC2 72302335 CTGVDAVOHSUPHQ-UHFFFAOYSA-N 302.378 1.624 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 71819880 JUZFGCKDLHEAGP-NSHDSACASA-N 303.387 1.545 0 40 DDAB Cc1cc(C)n(C2CN(C[C@@H](O)COc3ccc(F)cc3)C2)n1 71880630 UIFHTUBYEABUHB-MRXNPFEDSA-N 319.380 1.936 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCN2CCCC[C@@H]2C1 71839662 CSFHUWALHWDSFJ-CZUORRHYSA-N 302.374 1.523 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)n2ccnc2)n1 71870219 KSSWTQSLFLKMJW-GJZGRUSLSA-N 301.394 1.949 0 40 DDAB C[S@@](=O)c1nncn1Cc1coc(-c2ccc(F)cc2)n1 71804153 HRYHBONGNHIYLX-NRFANRHFSA-N 306.322 1.858 0 40 DDAB CCc1noc(C)c1C(=O)N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 83817413 RFAUBNXAXNLBNL-HIFRSBDPSA-N 321.421 1.728 0 40 DDAB CCCc1nnc(NS(=O)(=O)c2c(C)noc2C)s1 83956022 LKHRCGNTGHRMKE-UHFFFAOYSA-N 302.381 1.896 0 40 DDAB CCOC(=O)[C@H]1CCCN(CC(=O)N(CC(C)C)C2CC2)C1 97466776 BCYNNFWCGJUGCK-AWEZNQCLSA-N 310.438 1.909 0 40 DDAB O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnn2c1CCCC2 72122567 QRFGWHODWPVAGX-HOCLYGCPSA-N 318.421 1.203 0 40 DDAB C[C@@H](COc1ccccc1F)NC(=O)NCC[S@@](C)=O 95398066 IXDBXUVCHSZIKL-FVINQWEUSA-N 302.371 1.271 0 40 DDAB Cc1ccc([C@H](CN[C@H]2CCN(C)C2=O)N2CCOCC2)s1 72286548 TWXQPJNJNBANHX-KBPBESRZSA-N 323.462 1.250 0 40 DDAB C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCOCC2)C(=O)O1 72261185 DJEMEYVHQGSLQJ-UPJWGTAASA-N 310.419 1.415 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)no1 72232621 VZQBMGNLOJOZNG-CHWSQXEVSA-N 309.366 1.280 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N1CCO[C@H](C)C1)C2 72254816 NJNRVTSICFVLDS-DGCLKSJQSA-N 306.362 1.429 0 40 DDAB Cc1cccn2cc(CN3CCO[C@@H](Cn4cncn4)C3)nc12 72267550 TWIZYWBAAMTIDA-OAHLLOKOSA-N 312.377 1.135 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccccc2-n2cccn2)CC1 84638265 AVUGCGIVVGXRBQ-AWEZNQCLSA-N 314.389 1.011 0 40 DDAB CC(C)n1cc([C@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)cn1 95405939 ONQGLIIFSCDLQD-STQMWFEESA-N 321.425 1.822 0 40 DDAB CC[C@H](C)C(=O)NCC(=O)Nc1ccc(OCC(=O)O)cc1C 95425249 SZYHLZBMNUXHJM-JTQLQIEISA-N 322.361 1.559 0 40 DDAB C[C@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)C(=O)C1 95966123 XBKGOANZMKPICD-ZDUSSCGKSA-N 308.422 1.948 0 40 DDAB CN(C)[C@H](CNC(=O)N[C@H](CCO)C1CC1)c1cccs1 89312243 MMWGHNMFCDVBHG-CHWSQXEVSA-N 311.451 1.811 0 40 DDAB Cc1cccc(-c2ccc(C(=O)NCCn3ccnc3)c(=O)[nH]2)c1 75117477 NVYNCXHMSNPAGV-UHFFFAOYSA-N 322.368 1.977 0 40 DDAB c1cnc(NC[C@H]2CO[C@@H]3CN(Cc4nccs4)C[C@H]23)nc1 306127119 FOTJIGUVVLOQKC-YNEHKIRRSA-N 317.418 1.492 0 40 DDAB Cc1cc(COCC(=O)N=c2cc(C3CCOCC3)[nH][nH]2)on1 554801057 DKCLAVLKYPYMPM-UHFFFAOYSA-N 320.349 1.177 0 40 DDAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 32778221 NTEYNUPUTYSZLP-SMDDNHRTSA-N 316.357 1.356 0 40 DDAB CC(C)(O)CN(CC(=O)N1CCC(c2ccccc2)=N1)C1CC1 548306442 AUALKVIWPMDOTH-UHFFFAOYSA-N 315.417 1.858 0 40 DDAB CCC(CC)(CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)O)C1)OC 520576675 OZHCBDUKZZBWAN-NEPJUHHUSA-N 300.399 1.944 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1Cl 71288622 LQFAKDZMQHPHJB-MNOVXSKESA-N 324.764 1.995 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CCCC3)n2)C1 72365912 FDEJIOLLTRQLLA-AWEZNQCLSA-N 316.405 1.514 0 40 DDAB CC(C)[C@@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)O 35051050 LWFWZRANSFAJDR-TZMCWYRMSA-N 303.362 1.263 0 40 DDAB endogenous,in-man Cc1noc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)n1 70655662 YDMNQTOMCZNLQY-UHFFFAOYSA-N 318.333 1.140 0 40 DDAB O=C(c1cncnc1)N1CCC(c2n[nH]c3ncccc23)CC1 72368336 FNNHAECPWGDTSX-UHFFFAOYSA-N 308.345 1.768 0 40 DDAB O=C(O)c1ccc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)cc1 558270600 CVKFPZWFFQXSQS-LBPRGKRZSA-N 324.402 1.435 0 40 DDAB COc1cnc(C(=O)N2CCC(c3cnn(C)c3)CC2)nc1 566552263 LXMUBNKJLKZPHS-UHFFFAOYSA-N 301.350 1.239 0 40 DDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217710338 RGWNSOYXBKPUSC-VIFPVBQESA-N 316.379 1.130 0 40 DDAB CCCn1nnnc1CN1CCn2c(nnc2-c2ccccc2)C1 76183141 PYMUMIADTFZYRC-UHFFFAOYSA-N 324.392 1.357 0 40 DDAB Cc1nnnn1-c1ccccc1C(=O)NCCc1ccccn1 79487359 OTPMIEYTFXFYGC-UHFFFAOYSA-N 308.345 1.338 0 40 DDAB O=C(NCCc1ccccc1OC(F)F)N1CCOCC1 190928338 KURBFJHLTDHIJL-UHFFFAOYSA-N 300.305 1.872 0 40 DDAB COc1cc(NC(=O)[C@H](N)CCC(=O)O)cc2ccccc12 224538924 JKMBFBPDQHOZTG-CYBMUJFWSA-N 302.330 1.979 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCCNC1=O 45741319 ZXIKVGPUWZAUES-LLVKDONJSA-N 300.355 1.081 0 40 DDAB COCCNC(=O)c1c(-c2ccc(F)cc2)[nH]n(C(C)C)c1=O 225573949 VHISLTVCECAQFO-UHFFFAOYSA-N 321.352 1.940 0 40 DDAB CCOc1ccc(NC(=O)CNC(=O)c2cc(C)nn2C)cc1 40757437 IWAMDMGZXXOUKW-UHFFFAOYSA-N 316.361 1.496 0 40 DDAB CN(C)C(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](N(C)Cc2ccco2)C1 96057158 BOSARTTXMAJTON-IMJJTQAJSA-N 321.421 1.872 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)Cn2ccccc2=O)C12CCCC2 96432574 HKVPIBBWQYEZMH-ZIAGYGMSSA-N 304.390 1.702 0 40 DDAB CCOC(=O)[C@H]1CN(C(=O)c2ccoc2)Cc2ncn(CC)c21 96059378 IZOZPCQGGANNFD-LBPRGKRZSA-N 317.345 1.799 0 40 DDAB COC(=O)c1ccc(Cl)c(CN(C)Cc2ncnn2C)c1 96500522 FZLMIEBHGVCPKV-UHFFFAOYSA-N 308.769 1.887 0 40 DDAB Cc1oncc1C(=O)NC[C@]12COC[C@H]1CN(C1CCC1)C2 96108488 FKYNYJRWQYCHEG-WBMJQRKESA-N 305.378 1.214 0 40 DDAB NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)ccc1Cl 96428518 YUYSJDQESCXFQR-WCBMZHEXSA-N 320.773 1.411 0 40 DDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@@H]3Cn2cccn2)cn1 96250258 GXTZYCXCSUIGCM-PMPSAXMXSA-N 301.394 1.296 0 40 DDAB Cc1csc(CN2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)n1 96219514 FWQJDFJMSHLXFX-RWMBFGLXSA-N 320.418 1.975 0 40 DDAB O=C(C[C@@H]1CN(c2ncccn2)Cc2ccnn21)NCC1CC1 247844318 GMRITAYKFRIURE-CQSZACIVSA-N 312.377 1.151 0 40 DDAB O=C(Cn1cccn1)N1CCC(c2ccnc3ccnn23)CC1 257289992 QBANOGMQGDDQMO-UHFFFAOYSA-N 310.361 1.332 0 40 DDAB Cc1cc(CNC(=O)N[C@@H]2CCN(CC3CCCC3)C2)n(C)n1 252491658 LPQJNLQIRTVFJP-OAHLLOKOSA-N 319.453 1.792 0 40 DDAB CN(C(=O)C1CCOCC1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257271502 MYOZYEHWUVDANV-BZUAXINKSA-N 310.438 1.249 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CCCCC1 257267468 MHKZLKJRDWXLAX-QGZVFWFLSA-N 316.405 1.750 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCOC[C@@H]2c2ccn[nH]2)s1 257202532 AMGCDXKZYFKWLT-GFCCVEGCSA-N 306.391 1.626 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(CF)CC1 295475804 MEWNFUYGWIMREP-UHFFFAOYSA-N 315.366 1.828 0 40 DDAB CCOCC[C@@H]1CN(C(=O)c2cnccn2)Cc2cccn2C1 585095085 DJRAPDZLCZXNFQ-AWEZNQCLSA-N 314.389 1.977 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585290060 ZLHZWMKBQWWXQS-KRWDZBQOSA-N 319.405 1.991 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 44940180 PRVNMYNXGMQLLF-GFCCVEGCSA-N 317.389 1.622 0 40 DDAB Cn1cc(C(=O)NCCN2CCCCC2)c(C(F)(F)F)n1 54004473 SKCHEOLWKLUJEL-UHFFFAOYSA-N 304.316 1.655 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)NCC1CCCC1)c(=O)[nH]n2C 69809407 VSITXSSOVCFQAK-UHFFFAOYSA-N 316.405 1.727 0 40 DDAB O[C@H]1[C@H](NC2CCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844879 QODPUSBWYCAPTA-XGFWRYKXSA-N 313.785 1.094 0 40 DDAB biogenic,in-vitro C[C@@H]1CN=C(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)S1 89927887 ATIHVEWCVFYKDQ-ZIAGYGMSSA-N 324.494 1.496 0 40 DDAB Cc1cc(C(=O)NCCn2nc(C3CC3)ccc2=O)c(C)o1 585407207 LDLZIWMAIUNWRW-UHFFFAOYSA-N 301.346 1.761 0 40 DDAB CN1CCC[C@H](NC(=O)c2cncnc2)[C@@H]1Cc1ccccc1 1615086889 UQCGZCODJZYLIW-IRXDYDNUSA-N 310.401 1.912 0 40 DDAB Cc1ccccc1C[C@]1(CO)CN(Cc2cncn2C)CCO1 1615142944 WLNGMBQRQRBUND-GOSISDBHSA-N 315.417 1.535 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nccs1 14075585 LRILMDAPFAGEGC-NXEZZACHSA-N 307.375 1.647 0 40 DDAB CN(C)c1cc(CNC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)ccn1 585149761 MWBOMAKOIMBVTF-JSGCOSHPSA-N 318.421 1.172 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC1=NS(=O)(=O)c2ccccc21 31662164 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Cn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 5687848 CXKXOZYSLCZPDF-UHFFFAOYSA-N 309.325 1.569 0 40 DDAB Cc1[nH]c2nc(SCc3ccccc3)nn2c(=O)c1CCO 100891614 NBLQKGVAYMEGNG-UHFFFAOYSA-N 316.386 1.553 0 40 DDAB CCC(=O)N[C@@](Nc1ccccn1)(C(=O)OC)C(F)(F)F 20024963 ATLNXJXOUSAOHD-NSHDSACASA-N 305.256 1.451 0 40 DDAB O=C(O)CCc1nnc2n(c1=O)N=C(c1cccs1)CS2 20272654 VCDKNXMQBMSSDE-UHFFFAOYSA-N 322.371 1.075 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1cnn(-c2ccccc2)c1 40488062 BJDMMUJHESABFV-UHFFFAOYSA-N 322.434 1.591 0 40 DDAB COCC(=O)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 40540678 MJTKNDYKPPKQEM-NSHDSACASA-N 310.398 1.219 0 40 DDAB Cn1c(C(=O)NCCNC(=O)c2ccncc2)cc2ccccc21 32089810 YWLDAPYGLJESAQ-UHFFFAOYSA-N 322.368 1.733 0 40 DDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccoc1 101572306 CHWYBGNOJKMNGR-AUZPSNTRSA-N 314.341 1.207 0 40 DDAB COC(=O)c1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101710168 ZFIXBLBNTFXGMT-LLVKDONJSA-N 315.325 1.666 0 40 DDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2)CC1 29660547 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Cc1cnc(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)nc1 253601121 JXNAAANJVLILOS-LSDHHAIUSA-N 309.373 1.560 0 40 DDAB CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cccc(F)c1F 287392102 DAKAXHDGSDBULU-SCZZXKLOSA-N 319.329 1.839 0 40 DDAB CO[C@H]1CCN(c2ccc(NC(=O)Cn3cncn3)cc2)C1 96122290 CICXURYFMKUGQC-AWEZNQCLSA-N 301.350 1.142 0 40 DDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)C2CCC2)C3)n1 575405117 SDNIHNBUZJGPOY-AWEZNQCLSA-N 317.389 1.724 0 40 DDAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)o1 54208575 XSXOOBUDNSCBNB-UHFFFAOYSA-N 320.374 1.930 0 40 DDAB COc1cc(OC)c2c(=O)oc(C[C@@H](O)C[C@H](C)O)cc2c1 49181683 UGHXSOJROIYABR-ONGXEEELSA-N 308.330 1.485 0 40 DDAB biogenic,in-vitro Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)cn1 69817884 BSAWFUGHURJAKW-LSDHHAIUSA-N 321.402 1.699 0 40 DDAB CCn1cc(C(=O)N2CC[C@](O)(CN(C)C)C2)c2ccccc21 1548746573 ZOILWFPLSRYAHQ-SFHVURJKSA-N 315.417 1.800 0 40 DDAB O=C(COC1CCCCC1)N1CCC[C@H](N2CCNC2=O)C1 71830623 KSNHHBHERIIGIS-ZDUSSCGKSA-N 309.410 1.352 0 40 DDAB Cc1cccnc1CNC(=O)Nc1cnn(CCN(C)C)c1 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O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 2641544 MWLJCUUEOFTVEB-LBPRGKRZSA-N 323.326 1.046 0 40 DDAB O=C(c1ccsc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965639 HPCZEUXNYSZIGH-UHFFFAOYSA-N 306.322 1.166 0 40 DDAB O=C(Cc1cccs1)N1CCC(N2C(=O)CSC2=O)CC1 206979118 OUHVMMHIBOOVFR-UHFFFAOYSA-N 324.427 1.977 0 40 DDAB O=C(NCCOCCn1cccn1)C1(c2ccc(F)cc2)CC1 585150378 CURADDSAWGSVIL-UHFFFAOYSA-N 317.364 1.887 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)N2CCOCC2)o1 40488254 NTLWTKDAXYQWHL-YPMHNXCESA-N 314.407 1.412 0 40 DDAB CCOCCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1C 40526797 VODGJROBEHZHAU-UHFFFAOYSA-N 314.407 1.947 0 40 DDAB C[C@@H](O)CNC(=O)C1CCN(Cc2nc(C(C)(C)C)no2)CC1 40540731 MTVNVJWLTRSXHF-LLVKDONJSA-N 324.425 1.076 0 40 DDAB CCc1nc(NC(=O)CN2CCC(C(N)=O)CC2)sc1C 51185707 YIJYOKAAGWHGCN-UHFFFAOYSA-N 310.423 1.150 0 40 DDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccnn1CC 20607202 AUGIRZWLODRVCX-LBPRGKRZSA-N 302.338 1.347 0 40 DDAB O=C(NCc1nc2ccccc2[nH]1)c1ccccc1-n1cnnn1 32555892 BCAKISAZTYFTLT-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB CC[C@H](C(=O)NCCC1=NC(=O)[C@H](C)C(=O)N1)c1ccccc1 101825123 NUJVESPGPKOVLS-ZDUSSCGKSA-N 315.373 1.378 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)N2CCOC[C@H]2C)ccn1 46100329 MUBVNKCRVQFZTJ-GFCCVEGCSA-N 315.377 1.506 0 40 DDAB COCCCN1CCC(NC(=O)c2c(O)cccc2O)CC1 92120787 DDVPQQCBVSCTAR-UHFFFAOYSA-N 308.378 1.329 0 40 DDAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCc2ccccc21 102402383 RDTYCDGEXMUQLG-MGBSGCIJSA-N 322.364 1.383 0 40 DDAB COc1ccccc1CCNC(=O)c1ccc(-n2cnnn2)cc1 32986561 QJWVZQQIMYHGSH-UHFFFAOYSA-N 323.356 1.643 0 40 DDAB O=C(COC(=O)C1=COCCO1)NCc1ccc(Cl)cc1 2630037 KANWESBBZBNHSH-UHFFFAOYSA-N 311.721 1.388 0 40 DDAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nnnn1C 22066846 RQMHOTWORNQQJK-SECBINFHSA-N 309.370 1.661 0 40 DDAB Cc1cccc(OC[C@H](O)CNCC(C)(C)N2CCOCC2)c1 22038980 ZHVTXAYUVKUDAK-MRXNPFEDSA-N 322.449 1.435 0 40 DDAB C[C@@H](O)CNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983889 WUIZLFBGHCJEGL-DYTQJMLRSA-N 313.357 1.283 0 40 DDAB CCN1C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 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CNC(=O)CN1CCC(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 25232919 AGRUVNWDHXPGHS-HOCLYGCPSA-N 321.465 1.551 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)Cc1cn2ccsc2n1 55812389 NQSBHRHJEHROPE-JTQLQIEISA-N 306.391 1.065 0 40 DDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)ncn1 107768209 ADLLYIQLDRBQKN-KGLIPLIRSA-N 314.393 1.072 0 40 DDAB CCN(CC)CCn1cc(NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)cn1 108105131 STONSEHCMHINEX-QLFBSQMISA-N 321.425 1.666 0 40 DDAB CCCCNC(=O)c1nnc2ccc(N3CCOCC3)cc2n1 57280152 ZVBAJOTZEAIQJK-UHFFFAOYSA-N 315.377 1.391 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H](C)Cn2cccn2)n1 48235186 DDLSLPGXJDELLB-TZMCWYRMSA-N 318.425 1.720 0 40 DDAB CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 102971178 ZTCBTOGWAOIVGS-VIFPVBQESA-N 300.097 1.641 0 40 DDAB C[C@@H]1CCc2c(C(=O)N3CCS(=O)(=O)CC3)csc2C1 57888627 MOIVYPWHRBEHQK-SNVBAGLBSA-N 313.444 1.744 0 40 DDAB COc1c(CNC2CCN(C(=O)C3CC3)CC2)c(C)nn1C 58394286 JYSDLFLMGIWCBH-UHFFFAOYSA-N 306.410 1.228 0 40 DDAB O=C(N[C@H](n1cncn1)C(Cl)(Cl)Cl)c1cccnc1 28294080 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6339321 CFHMUEOEJHMTNK-UHFFFAOYSA-N 301.346 1.798 0 40 DDAB O=C1C[C@@H](c2ccccc2)N(CCCN2CCOC2=O)CCN1 65564850 RVLJSAIJHJCLJQ-HNNXBMFYSA-N 317.389 1.392 0 40 DDAB COc1ccc(CC(=O)Nc2ccccc2-n2cnnn2)cc1 6469369 CJOQBVLOFHIQOL-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CC(=O)c1ccc(OCC(=O)Nc2ncc(C(N)=O)s2)cc1 14142326 ZVUQZYXGWVSRBG-UHFFFAOYSA-N 319.342 1.462 0 40 DDAB O=C(O)C1(NS(=O)(=O)c2ccc(F)cc2)CCCCC1 4749236 QSOQIWPVSNVRTE-UHFFFAOYSA-N 301.339 1.892 0 40 DDAB Cn1cccc1C(=O)NCCN(C(=O)c1cccn1C)C1CC1 66648048 QNFAIVBMCITFHE-UHFFFAOYSA-N 314.389 1.398 0 40 DDAB CC(C)c1nc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 96404568 XGELLCMPCFNUDU-SECBINFHSA-N 317.436 1.253 0 40 DDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CCCO2)C1=O 7501932 VBOLZQCNWNEDNJ-BZNIZROVSA-N 318.329 1.361 0 40 DDAB CC(C)NC(=O)[C@H](C)N(C)Cc1nccn1CC(F)(F)F 68823233 LXZHOMISLPFHBT-JTQLQIEISA-N 306.332 1.790 0 40 DDAB COC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)cc1OC 8184143 GVZNKGHCHVKGDE-SNVBAGLBSA-N 304.302 1.599 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O 81701341 YDOJNBFDMXHPCP-LKTVYLICSA-N 314.341 1.172 0 40 DDAB O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1C1CC1 8250187 GICANVWMZFDRSE-UHFFFAOYSA-N 306.391 1.732 0 40 DDAB CN(CC(F)(F)F)C(=O)CN1CCN(c2nccs2)CC1 69348309 OYOGNLSVFDYMFX-UHFFFAOYSA-N 322.356 1.286 0 40 DDAB O=C(Cc1noc2ccccc12)NCc1nnc2ccccn12 8352398 YCURZMIVKSWEEK-UHFFFAOYSA-N 307.313 1.729 0 40 DDAB CC(C)c1cccc(NC(=O)Cn2nc(C(N)=O)ccc2=O)c1 69433378 OGVPBOPNIHMBBG-UHFFFAOYSA-N 314.345 1.104 0 40 DDAB CC(C)OCCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69516890 BUHLEJVWFKHPBF-LBPRGKRZSA-N 300.424 1.752 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69587782 SFJCVMLXNHDFIB-YPMHNXCESA-N 312.373 1.503 0 40 DDAB COc1cccc(CN(C)C(=O)C2=NN(C)C(=O)CC2)c1OC 69656652 BBBKSNZWJUXYIU-UHFFFAOYSA-N 319.361 1.270 0 40 DDAB Cc1noc(CN2CCN(CC(=O)c3cc(C)[nH]c3C)CC2)n1 69702281 OJZAJFPHGASQLU-UHFFFAOYSA-N 317.393 1.323 0 40 DDAB O=C1CC[C@H](C(=O)Nc2ccnn2-c2cccc(Cl)c2)N1 69869348 BCWCYDWCLTXMEG-LLVKDONJSA-N 304.737 1.743 0 40 DDAB C[C@@H](Cc1cc(NC(=O)Cn2cn[nH]c2=O)[nH]n1)C(C)(C)C 97103355 NSPPVIZXLSZLGA-VIFPVBQESA-N 306.370 1.158 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)c1cccc3c1OCO3)C2 71860162 MDRBSVKXNYSKPE-UHFFFAOYSA-N 312.329 1.446 0 40 DDAB CS(=O)(=O)c1ccc(OCCNC(=O)c2ccccn2)cc1 71879464 HRAIGDBXEGNGFR-UHFFFAOYSA-N 320.370 1.294 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CN1CSCC1=O 71870326 KCSPJBCHAJHTJC-GFCCVEGCSA-N 322.434 1.233 0 40 DDAB CCOC(=O)N[C@@](Nc1ccccn1)(C(=O)OC)C(F)(F)F 19932891 XWSBGMJLCRZUCN-NSHDSACASA-N 321.255 1.671 0 40 DDAB C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N1CCOC[C@H]1C 71900777 RJMJQTRGJPEUKV-UONOGXRCSA-N 305.422 1.592 0 40 DDAB C[C@H]1CNCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 94345652 AFAQCZZJJBJTPZ-WRWORJQWSA-N 308.325 1.380 0 40 DDAB Cc1csc(NC(=O)CN2CCC(c3cn[nH]c3)CC2)n1 97203544 JXMZAVGILWFYRI-UHFFFAOYSA-N 305.407 1.993 0 40 DDAB C[C@H]1CN(Cc2nc3cc(F)ccc3n(C)c2=O)C[C@H](C)O1 97201021 YMFCWQDNQIWKAP-QWRGUYRKSA-N 305.353 1.682 0 40 DDAB Cc1ccc(OC2CCN(C(=O)[C@@H](C)n3cncn3)CC2)nc1 97085133 SSPLUICQXPDBGG-CYBMUJFWSA-N 315.377 1.613 0 40 DDAB CC1([C@H]2CCCN(C(=O)NCCn3cccc3)C2)OCCO1 97086360 VUKATZVPNQPLEQ-AWEZNQCLSA-N 307.394 1.673 0 40 DDAB Cc1cc(C)n(CC(=O)N(CC(=O)O)Cc2ccccc2)n1 97017943 ISCGDECYLINFIS-UHFFFAOYSA-N 301.346 1.613 0 40 DDAB Cc1noc2ncc(NC(=O)CNC(=O)c3ccccc3)cc12 72287131 NBQYOFUIINSOGB-UHFFFAOYSA-N 310.313 1.900 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3ccccn3)CC2)nn1 97376364 XOAGADKGOVCTHX-UHFFFAOYSA-N 301.350 1.297 0 40 DDAB COc1nc(N(C)C[C@@H]2CCOC2)nc(N2CCCCCC2)n1 84488517 WJSLLDHHTFULIG-ZDUSSCGKSA-N 321.425 1.733 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCc3nnc(-c4ccccc4)n3C2)on1 95998153 HHDPCXRVAIWQBV-CYBMUJFWSA-N 323.356 1.986 0 40 DDAB Cn1cc(N2CCN(C[C@@H](O)c3ccccc3Cl)CC2)cn1 74798630 SPJQTSHBWCWKJT-MRXNPFEDSA-N 320.824 1.929 0 40 DDAB Cc1nc(-c2ccc(Br)cc2)nn1CCC(N)=O 89718052 ZZSBKODQUPTOJA-UHFFFAOYSA-N 309.167 1.891 0 40 DDAB O=S1(=O)CCC[C@H]1CNCc1csc(-c2ccccn2)n1 89884651 CSTWZTMYXXRLGK-LBPRGKRZSA-N 323.443 1.872 0 40 DDAB Cc1ccn(C)c(=O)c1NC(=O)c1cccc(OCC(F)F)n1 89823818 RTCIVDHVZFSNHN-UHFFFAOYSA-N 323.299 1.985 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CC[C@@H](c2nn[nH]n2)C1 1548761510 CTUMVFBMLLPYRS-ADEWGFFLSA-N 301.325 1.458 0 40 DDAB CN1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 67284295 JSLSODUARHYYJY-UHFFFAOYSA-N 320.784 1.589 0 40 DDAB NCC[C@@H](NC(=O)c1coc(C2CCOCC2)n1)C(F)F 516288367 AHCQQXWHVKTHFW-SECBINFHSA-N 303.309 1.281 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNc2ncccc2S(N)(=O)=O)n1 79037625 VHFNQOZBYOEFOU-JTQLQIEISA-N 323.422 1.291 0 40 DDAB C[C@H](CCN1CCOCC1)NC(=O)c1cc2ccccn2c1 73620002 ZBAFRMOJIAUIIJ-CQSZACIVSA-N 301.390 1.780 0 40 DDAB CCOC(=O)C(C(=O)OCC)c1ncc(Br)cn1 72338592 HEIMCPNSTVIQJT-UHFFFAOYSA-N 317.139 1.449 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccs1 72238136 WAJIQVDVANCEDP-SWLSCSKDSA-N 323.462 1.726 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnn(Cc2ccccc2)c1 185546966 JTVJLTIQLNRUFU-CVEARBPZSA-N 315.373 1.040 0 40 DDAB CC(C)N(C)S(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1 40539412 OMKWCNYWKDVUPQ-UHFFFAOYSA-N 322.434 1.889 0 40 DDAB COCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224923177 YTGJAOMJSBVUCP-UHFFFAOYSA-N 318.420 1.292 0 40 DDAB Cc1cc(CC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)no1 329157418 CKRXZWYLSJZMOV-AWEZNQCLSA-N 315.377 1.686 0 40 DDAB COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)s2)cc1 571990277 KCOSPUWSNRWYTB-SNVBAGLBSA-N 318.402 1.881 0 40 DDAB O=C(O)c1cc(O[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 40177521 TUVCTTQQUHMZTE-SECBINFHSA-N 307.327 1.499 0 40 DDAB COC(=O)COc1ccc(C(=O)OC)cc1Br 40489852 ADMNPQQISUIDAX-UHFFFAOYSA-N 303.108 1.788 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CCC[C@@H]2O)cc1 195561677 ZILOGAQRYJVGBS-DZKIICNBSA-N 311.447 1.908 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCCN(C2CCOCC2)CC1 96415710 BPRLRUITIXDBDS-MRXNPFEDSA-N 323.481 1.574 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(CCN(C(=O)c3cscn3)C2)C1 96203115 YHHXTEJXAUOMIC-OAHLLOKOSA-N 307.419 1.864 0 40 DDAB Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cccn3)C2=O)cc1 96425891 STPOEXADGWWBPW-OAHLLOKOSA-N 312.373 1.503 0 40 DDAB C[C@@H](CNc1ncnc(-n2cccn2)c1N)CN1CCCC1 97104569 DPZKAFZLYCIOPE-LBPRGKRZSA-N 301.398 1.388 0 40 DDAB CCc1c(Cl)nc(C)nc1N(C)C[C@@H]1CCS(=O)(=O)C1 96429556 YQRCJDAZPIYSJQ-JTQLQIEISA-N 317.842 1.872 0 40 DDAB CCOC(=O)C[C@@H]1C(=O)CCN1C(=O)OCc1ccccc1 95864622 PAKJWXUTGCGCIH-CYBMUJFWSA-N 305.330 1.920 0 40 DDAB O=C(O)C1CCN(c2nccn(-c3cccc(F)c3)c2=O)CC1 96530504 ABPJKHJDBRVRNZ-UHFFFAOYSA-N 317.320 1.673 0 40 DDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCC4CC4)C3)nn12 96402332 NJJXVYNSABGLAH-CYBMUJFWSA-N 314.393 1.175 0 40 DDAB CC(C)NC(=O)C[C@@H]1COC2(CCN(c3nncs3)CC2)C1 96221960 KDHNLBAORPYLKL-LBPRGKRZSA-N 324.450 1.828 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2csnn2)cc1 97100251 IETCQRVDRABOQA-NSHDSACASA-N 311.432 1.799 0 40 DDAB C[C@H](CNS(N)(=O)=O)Oc1ccccc1Br 96452503 FDTNOSPGHUMEDK-SSDOTTSWSA-N 309.185 1.010 0 40 DDAB CCCNC(=O)c1cccc(C(=O)OCCn2cccn2)c1 96421774 QLNIWUYHMHSMKX-UHFFFAOYSA-N 301.346 1.880 0 40 DDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1 230155510 BLOOAOZHUDWTKH-JHJVBQTASA-N 314.451 1.353 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(Cl)cc1 96412810 PSACNWKLZNCXTN-NXEZZACHSA-N 301.795 1.988 0 40 DDAB CC(C)CNC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 96222162 MKXUTVFFXSCCTJ-ZDUSSCGKSA-N 303.362 1.269 0 40 DDAB biogenic CC(C)N1CCOC[C@@]2(CN(Cc3ccncc3)CCO2)C1 96049738 XVUAVBUQYJMHJS-QGZVFWFLSA-N 305.422 1.393 0 40 DDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cnn(C)c1 96472355 PBMLPJJVRWRSSB-AWEZNQCLSA-N 321.425 1.051 0 40 DDAB Cc1ccncc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257320461 VWXRCBPRFXRFMA-INIZCTEOSA-N 314.389 1.719 0 40 DDAB CC(C)C(=O)N1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 257324628 WPNGBZOQFWOPNK-QGZVFWFLSA-N 316.405 1.573 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCO[C@H](c2cnccn2)C1 257204695 AVXWRPZRZQTKGN-AWEZNQCLSA-N 309.329 1.567 0 40 DDAB CC(=O)NCCN(Cc1ccsc1)S(=O)(=O)C1CC1 252489718 JYGFZWDKWPANNW-UHFFFAOYSA-N 302.421 1.178 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccsc2)CCO1 257314691 UYBQJXBYABFMOU-NSHDSACASA-N 304.375 1.794 0 40 DDAB Cc1cc(C)n2ncc(CN3CCO[C@H](c4cnccn4)C3)c2n1 257322137 WESKWCOMTKRFTM-INIZCTEOSA-N 324.388 1.710 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2c[nH]nc2C)n1 257205123 AXTKPPWLXPLFEO-INIZCTEOSA-N 314.393 1.481 0 40 DDAB Cc1cc(N(C)C)nc(CNC(=O)c2ccc3c(c2)OCO3)n1 96120960 YVXGQCNFTDKZQW-UHFFFAOYSA-N 314.345 1.510 0 40 DDAB CC(=O)NCCNC(=O)N1CCCN(Cc2cccs2)CC1 43140376 FTFWCAGTDYTKJW-UHFFFAOYSA-N 324.450 1.102 0 40 DDAB O=C(CCN1CCC(F)(F)C1)NC(=O)NCc1ccccc1 390834352 WWXZGEZYVMQYEY-UHFFFAOYSA-N 311.332 1.744 0 40 DDAB O=C(Cn1cccn1)N1CC[C@H](Oc2ccncc2Cl)C1 575604894 DDUCPMBARGWNEU-NSHDSACASA-N 306.753 1.611 0 40 DDAB Cn1cc(CCNC(=O)Nc2ccc(N3CCCC3)nc2)cn1 46992619 ZORZNSJRJUSNNZ-UHFFFAOYSA-N 314.393 1.780 0 40 DDAB CCSc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)ccn1 48913272 NFDKKUZVQQKQFE-JTQLQIEISA-N 314.432 1.358 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N3CCn4c(C)nnc4C3)cc2)n1 69596473 ZUNHPDDHLKQEGN-UHFFFAOYSA-N 322.372 1.737 0 40 DDAB CN(C)c1ncncc1NC(=O)c1cc(-c2cccnc2)on1 89322928 OEHJBSCNNVKZGX-UHFFFAOYSA-N 310.317 1.845 0 40 DDAB Cc1noc(CCNS(=O)(=O)c2cc(C)c(C)s2)n1 91040169 XEZOAVSYYDUELV-UHFFFAOYSA-N 301.393 1.577 0 40 DDAB CC(C)(C)c1nccc(N2CCC[C@@H](CS(N)(=O)=O)C2)n1 98018563 YIUAQWRMRUFJPH-LLVKDONJSA-N 312.439 1.279 0 40 DDAB COc1cc(N[C@H]2CCN(c3ccccc3F)C2=O)nn1C 548140097 AMWFHAZBLCYKCU-NSHDSACASA-N 304.325 1.785 0 40 DDAB Cc1cccc(C(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c1 1549167082 LQLXTSPDUFNVES-UHFFFAOYSA-N 300.358 1.764 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 1548448296 ZYGQRNMXWSEWCO-LSDHHAIUSA-N 318.352 1.036 0 40 DDAB C[C@@H](CN1C(=O)C=CC1=O)CC(C)(C)CCN1C(=O)C=CC1=O 5532198 MBRZODAIDIMWFX-GFCCVEGCSA-N 318.373 1.279 0 40 DDAB Cc1nn(CC(=O)Nc2ccncc2)c(=O)c2cc3occc3n12 12115451 MSNZLHBYLZLKIG-UHFFFAOYSA-N 323.312 1.584 0 40 DDAB O=C([C@@H]1CC(c2ccc(Cl)cc2)=NO1)N1CC[C@H](CO)C1 12325687 XDMBSCYGGSEMFS-HZMBPMFUSA-N 308.765 1.674 0 40 DDAB C[C@@](O)(CCc1ccccc1)CNC(=O)NC1CCOCC1 225553200 DLCICTFDKGWGMZ-QGZVFWFLSA-N 306.406 1.848 0 40 DDAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1csnn1 558456774 UAFVEGREBSTVRI-UHFFFAOYSA-N 310.342 1.482 0 40 DDAB COCCn1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 5015956 LAGQESBKBNNAFZ-SECBINFHSA-N 307.375 1.009 0 40 DDAB O=C(CCn1ccn2nccc2c1=O)NCc1ccc(F)cc1 1888890398 SZCKJQMTSDXKFW-UHFFFAOYSA-N 314.320 1.342 0 40 DDAB Cc1cc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)on1 2037985069 WXHQKMLPJNGIGJ-INIZCTEOSA-N 321.377 1.083 0 40 DDAB COC(=O)[C@@]1(CC2CC2)C[C@H](N2CCCC2)CCN1C(C)=O 2056214994 NFVLRNCCUPXZMT-NVXWUHKLSA-N 308.422 1.805 0 40 DDAB Cc1nc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)cs1 1565550247 VQYJKPVQGAMEAV-MLGOLLRUSA-N 319.430 1.972 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2O1)N1CCCC1 1565549619 WJUIATOHEFYECV-XQQFMLRXSA-N 310.369 1.117 0 40 DDAB Cc1ccc(=O)n(CC2CN(c3nc4ccc(F)cc4o3)C2)n1 585603287 NFUCREWIVDORAQ-UHFFFAOYSA-N 314.320 1.968 0 40 DDAB CN(C)c1ccnc(N2CCC(NC(=O)C3CCC3)CC2)n1 2298174064 KXBRKGRNRFPCJR-UHFFFAOYSA-N 303.410 1.428 0 40 DDAB NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 1849545 ZYLULTURYPAERI-UHFFFAOYSA-N 305.309 1.544 0 40 DDAB in-vitro NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 421652 ALSPKHILHOETKP-UHFFFAOYSA-N 315.358 1.559 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCCN(C)CC2)c1 40161495 SHHDOOCSLXOKLW-CYBMUJFWSA-N 321.421 1.668 0 40 DDAB Cc1ccc(CNC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 31781199 WGLHTFXTVGKWQP-UHFFFAOYSA-N 324.427 1.563 0 40 DDAB CCc1cc(C(=O)NC2CCN(CC(=O)NC)CC2)sc1C 40511044 FSMCMCNBUDKCJC-UHFFFAOYSA-N 323.462 1.559 0 40 DDAB CC(C)N(C)C(=O)C1CCN(Cc2nnnn2C2CC2)CC1 40520477 RQYOWMUACWMAMV-UHFFFAOYSA-N 306.414 1.087 0 40 DDAB CN(C)c1cc(C(=O)NCc2nnc3n2CCCCC3)ccn1 40535457 HCLSWDNBVCGTRY-UHFFFAOYSA-N 314.393 1.396 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1nccs1 40525557 ZEEBAVSEBCCNOU-UHFFFAOYSA-N 319.390 1.696 0 40 DDAB C[C@H](NC(=O)CN1CCSCC1)c1ccc2c(c1)OCCO2 40540638 CUIOUMRQYMCXBM-LBPRGKRZSA-N 322.430 1.684 0 40 DDAB O=C(NCCN1CCOCC1)c1cc(-c2cccc(F)c2)no1 40516089 PYOVJHSENLZAJR-UHFFFAOYSA-N 319.336 1.543 0 40 DDAB COc1cccc(CNC(=O)c2nc3nc(C)cc(O)n3n2)c1 20739667 LKHOACYYHGVBLB-UHFFFAOYSA-N 313.317 1.077 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)NCCN1CCCCCC1=O 32309462 HPZGBKMPASPQDV-UHFFFAOYSA-N 312.801 1.514 0 40 DDAB CCOCCCNC(=O)c1nn(-c2ccc(F)cc2)nc1CO 21172934 KNFMSBYYPALPBH-UHFFFAOYSA-N 322.340 1.055 0 40 DDAB CC(C)CCNC(=O)c1nn(-c2ccc(F)cc2)nc1CO 21172853 XOASNSBGXGECGP-UHFFFAOYSA-N 306.341 1.675 0 40 DDAB COCc1ccc(CNC(=O)N2CCC(CC(N)=O)CC2)cc1 46155341 XLQTUKUJZCBTKF-UHFFFAOYSA-N 319.405 1.630 0 40 DDAB Cc1cccc(OCCNC(=O)Cn2cccc(C)c2=O)c1 69653781 IROQXJKYTWXKTF-UHFFFAOYSA-N 300.358 1.660 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCC[C@@H](Cn2cncn2)C1 69696904 VQPBXWWVSXFOBC-GFCCVEGCSA-N 308.817 1.886 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)NC[C@H]1CCCO1 29752848 DRNBHHXRCAUNIA-CYBMUJFWSA-N 315.373 1.390 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1 796701 XSOJNFACFMBDSB-AWEZNQCLSA-N 324.446 1.920 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3=COCC3)CCO2)n1 76046661 VXXPPKVJHVSPMD-LLVKDONJSA-N 306.366 1.306 0 40 DDAB C[C@@H]1C[C@H](Nc2cc(C(N)=O)ccn2)C(=O)N1c1ccccc1 78460703 ASIIXYLETFTRAA-RISCZKNCSA-N 310.357 1.786 0 40 DDAB c1cnnc(NC[C@H]2CN(CCc3cccs3)CCO2)c1 78893704 CAVCKYKDQFKXRZ-ZDUSSCGKSA-N 304.419 1.894 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NCCCn1cccn1 2730845 ZKPQEWKULCADFF-UHFFFAOYSA-N 321.402 1.253 0 40 DDAB C[C@@H]1CCN(CC(=O)N[C@@H]2CCCCNC2=O)c2ccccc21 52674038 YJDFFOOKCQIUSL-UKRRQHHQSA-N 315.417 1.785 0 40 DDAB CCC[C@H](c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1 4356312 LLBGEAGNJNZKNC-CQSZACIVSA-N 322.457 1.758 0 40 DDAB CCCOc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1 101675394 KLYPVAGFVBSCGX-LBPRGKRZSA-N 301.306 1.445 0 40 DDAB COCCNC(=O)CN(C)Cc1cccc(C(F)(F)F)c1 52917734 DSLCSQLMRBBUOI-UHFFFAOYSA-N 304.312 1.900 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cncn2)c1 41998986 WPHBDVZDHOUTIP-CQSZACIVSA-N 316.361 1.659 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCc2ccccc2C1 103066250 WRQKFPCOLGAHDI-IYBDPMFKSA-N 324.380 1.523 0 40 DDAB CC[C@H](Oc1ccccc1OC)C(=O)NCCN1CCOCC1 8495043 OMOOTLMYTKWEHD-AWEZNQCLSA-N 322.405 1.301 0 40 DDAB Cc1cc(N)nc(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 53561797 JSTLECHIIBTGKZ-RYUDHWBXSA-N 322.434 1.629 0 40 DDAB C[C@@H](C(=O)N1CCO[C@H](CCc2ccccc2)C1)n1cncn1 97111837 CLZZHTOWCUQOGA-GOEBONIOSA-N 314.389 1.699 0 40 DDAB CCOC(=O)CNC(=O)CSc1nc(O)c2ccccc2n1 9915616 IACWCLMRBBJTEN-UHFFFAOYSA-N 321.358 1.107 0 40 DDAB COc1ccc(CN2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 107226702 LQKPGVQIWDUWSZ-WBVHZDCISA-N 314.389 1.893 0 40 DDAB COCCN1CCCC2(CCN(C(=O)CSC)CC2)C1=O 108533530 ZYXSMIYKDYMGMX-UHFFFAOYSA-N 314.451 1.227 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)Cn2ccnc2)C12CCC2 107061370 VWHKAULZTZRYJW-HZSPNIEDSA-N 306.410 1.919 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)NC2CC2)cc1 12569548 DNGPOMWBVOXJNV-UHFFFAOYSA-N 324.402 1.226 0 40 DDAB Oc1nnn(-c2ccccc2)c1CN1CCN(CC2CC2)CC1 57089270 XTMKWRBIJKEONL-UHFFFAOYSA-N 313.405 1.501 0 40 DDAB CCOC(=O)[C@@H]1CSCCN1Cc1ccc(C(N)=O)cc1 26337285 SDXOGHGEUKUOGC-ZDUSSCGKSA-N 308.403 1.266 0 40 DDAB COc1ccc(CN(C)C(=O)[C@@H]2CCN(C)C(=O)C2)c(OC)c1 44291344 YZNWEUDDUQQBIJ-GFCCVEGCSA-N 320.389 1.531 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 47954477 BHGOGAFDCPSNPJ-CJNGLKHVSA-N 319.357 1.537 0 40 DDAB Cc1nc(C)c(CCC(=O)NOCc2ccccc2)c(=O)[nH]1 57921665 BUTDFCHTSIAHLP-UHFFFAOYSA-N 301.346 1.567 0 40 DDAB O=C(COC(=O)c1ccc(F)cc1Cl)NC[C@H]1CCCO1 3275505 PNZKJRWRJKKALI-SNVBAGLBSA-N 315.728 1.931 0 40 DDAB Cc1c(C(=O)N2CCC[C@@H](C(N)=O)C2)cnn1-c1ccccc1 44893722 SWDNXGNOPXCLEB-CYBMUJFWSA-N 312.373 1.518 0 40 DDAB O=C(Nc1ccc[nH]c1=O)c1ccc(OCC(F)(F)F)nc1 58277408 ICTGEJFSSKEDSK-UHFFFAOYSA-N 313.235 1.963 0 40 DDAB O=C(NCCn1ccnc1)NC[C@H](O)c1cccc(Cl)c1 44966620 LWMXPOLJDOBVRJ-ZDUSSCGKSA-N 308.769 1.569 0 40 DDAB CC[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)N1CCCC1 44936083 AXRYGLVSHDCTNH-JTQLQIEISA-N 320.846 1.226 0 40 DDAB C[C@@H]1CCCCN1CCCCNS(=O)(=O)c1cnn(C)c1 44937547 ALAMVRSJLZPLRA-CYBMUJFWSA-N 314.455 1.353 0 40 DDAB COc1ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)c(OC)c1 44954226 VAIPCOHUVRPBMY-ZJUUUORDSA-N 315.391 1.314 0 40 DDAB COC(=O)c1c(O)c2ncc(Br)cc2n(C)c1=O 118896673 RKNXTSDQGDJWPJ-UHFFFAOYSA-N 313.107 1.188 0 40 DDAB Cn1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1=O 28441873 WEZTXBBQXQWPPG-UHFFFAOYSA-N 300.314 1.087 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H]1Cc2ccccc2O1 28405468 BFIKGDMWNQPRQG-CQSZACIVSA-N 300.362 1.565 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(C)(=O)=O)cc1 48432436 OWHVTYSBLOTCAX-LBPRGKRZSA-N 311.403 1.589 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)n1 69740265 ZMHBAPMDEWVHBH-GFCCVEGCSA-N 305.407 1.751 0 40 DDAB CCCCNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 13097590 VBKWAZXMVCTPPH-UHFFFAOYSA-N 300.380 1.732 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cn2cccn2)cn1 49222780 QZLHXBSEGYGLDE-CYBMUJFWSA-N 317.393 1.953 0 40 DDAB Cc1cnn(CCN[C@H](C)C(=O)Nc2ccnn2C(C)C)c1 69814190 PJONVEAJPMQHJX-CYBMUJFWSA-N 304.398 1.586 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O 4223165 WUQKUDDPOSWVHA-KKUMJFAQSA-N 301.390 1.723 0 40 DDAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc[n+]2[O-])C1 65140371 NLEPZGDLINVLAU-GDBMZVCRSA-N 311.385 1.885 0 40 DDAB COc1cc(CNC(=O)[C@H]2CC=CCC2)ccc1OCC(N)=O 65513896 FOIKUKSIAIRLSJ-ZDUSSCGKSA-N 318.373 1.532 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccco1)C2=O 4515398 CQUPETQNKGUTJF-BDJLRTHQSA-N 319.361 1.397 0 40 DDAB CC(=O)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 6646068 JMYRQFURESEJJS-XBEOPHEFSA-N 311.337 1.416 0 40 DDAB Cc1cc(C)n(Cc2cccc(N[C@@H](C)C(=O)NC(N)=O)c2)n1 66583555 BVBNBAZNTBEOME-LBPRGKRZSA-N 315.377 1.544 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)CCCOCCc2ccccc2)C1 71184995 VCAYBQWZEABFND-MRXNPFEDSA-N 318.417 1.750 0 40 DDAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NC(N)=O 5854789 JBJKYBYJZOKVHV-ZETCQYMHSA-N 323.403 1.957 0 40 DDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 408723091 MSZMPUDNYCQYOT-XJIUQZFPSA-N 313.309 1.445 0 40 DDAB CN(CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cnccn1 71796772 PPUYHWVHMZUDBZ-CYBMUJFWSA-N 300.366 1.010 0 40 DDAB COC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)C1CCCCC1 15676569 CGJXGTKGDDJTGR-ZDUSSCGKSA-N 305.378 1.427 0 40 DDAB biogenic,in-vitro CC(C)c1nsc(N2CCC[C@H]2C(=O)N2CCOCC2)n1 96455763 QPYWCLIRYWRHGM-NSHDSACASA-N 310.423 1.489 0 40 DDAB O=C1COc2ccc(C(=O)CSc3cccc[n+]3[O-])cc2N1 7507507 YXPFRFRTLBAVJC-UHFFFAOYSA-N 316.338 1.626 0 40 DDAB O=C1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)=NN1 7779208 RTLNSUWXPPBSPR-UHFFFAOYSA-N 300.362 1.881 0 40 DDAB C[C@H](C[S@](C)=O)N(C)S(=O)(=O)Cc1ccccc1F 96012574 PHVLRBUZTSZLHF-MLCYQJTMSA-N 307.412 1.354 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N[C@H]1CCN(c2ccccc2)C1=O 69072691 JJUXZBUIXZVPFW-GJZGRUSLSA-N 317.389 1.660 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)C1CCOCC1 81667881 MSLLJYHUMAURPC-UHFFFAOYSA-N 324.465 1.812 0 40 DDAB Cc1nc2n(n1)C[C@H](NCC(=O)N(C)Cc1cccs1)CC2 70004031 MXOCLASWCQTPMM-GFCCVEGCSA-N 319.434 1.211 0 40 DDAB CCc1nn2c(=O)cc(CN[C@@H](C)Cn3cccn3)nc2s1 69387590 FGWZQYMQMSENMA-JTQLQIEISA-N 318.406 1.088 0 40 DDAB O=C(CSc1nnnn1C1CCCC1)NC[C@H]1CCCO1 8388627 RPBXQNBSFWMWSU-LLVKDONJSA-N 311.411 1.176 0 40 DDAB O=C(CC1CCCC1)NCCNC(=O)c1ccc2[nH]cnc2c1 69419089 FSEBQPKWLMSKBQ-UHFFFAOYSA-N 314.389 1.989 0 40 DDAB C[C@H]1CN(CCOCC(F)(F)F)CCN1Cc1nccn1C 69442889 BQLYMDXUOAEQIT-LBPRGKRZSA-N 320.359 1.505 0 40 DDAB Cc1noc(CNC(=O)Cc2cccc(Br)c2)n1 69485637 HOHMPYYCBFUZFM-UHFFFAOYSA-N 310.151 1.999 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cn1 71856933 CGDOXSLICOEJNA-GFCCVEGCSA-N 322.311 1.838 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)c3cnns3)CC2)n1 71839633 NYRZXASMZPRRIL-UHFFFAOYSA-N 322.394 1.003 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 71851736 ACDFIMIOCUPTBE-NWDGAFQWSA-N 312.410 1.529 0 40 DDAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N(C)CC(N)=O 71821513 JJXPMCWWYKHDAA-ZDUSSCGKSA-N 300.305 1.312 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](N2CCNC2=O)C1 71841641 VADXGGGXJBLTDX-LLVKDONJSA-N 318.377 1.183 0 40 DDAB Cc1nnc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)o1 71900663 AVLDVAHIUBDHCZ-CYBMUJFWSA-N 304.325 1.754 0 40 DDAB Cc1ccccc1CN(C)C(=O)c1c[nH]c2c(cnn2C)c1=O 97080346 GAOWFIMWLBOXSE-UHFFFAOYSA-N 310.357 1.842 0 40 DDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cncc(F)c1 97086403 BVCTXHJUVZGXFG-AWEZNQCLSA-N 314.320 1.541 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1[nH]cnc1C 97009789 RSZWRLTVTRAMQE-HNNXBMFYSA-N 313.361 1.055 0 40 DDAB Cc1cc(-n2c(C)cc(C(=O)NC[C@@H](C)C(=O)O)c2C)no1 97018675 MDARKELZHUZMIY-MRVPVSSYSA-N 305.334 1.841 0 40 DDAB O=C(NCc1nnnn1C1CC1)c1ccc(Cl)nc1Cl 72528699 CONPOPQLFYIZFL-UHFFFAOYSA-N 313.148 1.640 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(CCOCC(F)(F)F)CCO2)n1 72253513 UPNXBEVGOVBKTF-LBPRGKRZSA-N 322.331 1.175 0 40 DDAB CCc1nc(CC(=O)N2CCC[C@H](n3cncn3)C2)cs1 72234943 KXGZDYIQPJWGOH-LBPRGKRZSA-N 305.407 1.703 0 40 DDAB COC(=O)[C@H](C)CC(=O)N1CCN(Cc2ccccc2)CC1 84636725 RSRWPEBNKGUAAU-CQSZACIVSA-N 304.390 1.530 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc2ccccc2n1 84678483 VJJBHYNAIROMTA-RYUDHWBXSA-N 318.398 1.882 0 40 DDAB Cc1cc(S(=O)(=O)N2CCO[C@H](C)C2)cc(C(=O)O)c1C 95940681 GIZXZBZDRFLIJU-SNVBAGLBSA-N 313.375 1.411 0 40 DDAB Cc1noc(C)c1CNS(=O)(=O)N1CCc2ccccc2C1 95955394 RMIQBSUFDWIXGF-UHFFFAOYSA-N 321.402 1.684 0 40 DDAB C[C@H]1CCN(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 95993779 WNGMPUWYWOYMAP-JTQLQIEISA-N 309.391 1.570 0 40 DDAB NC(=O)COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 89781046 UCLFLXWPWQTTEX-LSDHHAIUSA-N 318.373 1.334 0 40 DDAB O=C1CC[C@H](NC(=O)CCCSc2ccccc2)C(=O)N1 89752722 QGPSSMSPWCNKAR-LBPRGKRZSA-N 306.387 1.480 0 40 DDAB Cc1nc([C@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)no1 75610299 FRZFLAAPHPQPCH-NXEZZACHSA-N 318.299 1.678 0 40 DDAB O=C(CNC1(CO)CCOCC1)N[C@H]1CCCc2ccccc21 69841215 GWIDGLIVEWBJRY-INIZCTEOSA-N 318.417 1.311 0 40 DDAB O=C([C@H]1C[C@@]12CCOC2)N1CCC(O)(Cc2ccncc2)CC1 517570999 KHVJLRCCZJOGML-NVXWUHKLSA-N 316.401 1.404 0 40 DDAB Cn1ncc2ccc(CNC(=O)N3C[C@H](N)C4(CCC4)C3)cc21 1553483562 JKFIWOIUDRUHIW-HNNXBMFYSA-N 313.405 1.596 0 40 DDAB CO[C@@H]1CCN(c2cc(N3CCOCC3)ncn2)CC1(C)C 519311115 SLIUEQIVCXHAST-CYBMUJFWSA-N 306.410 1.565 0 40 DDAB CCN(C(=O)CCn1ncn(C)c1=O)c1ccccc1OC 555600910 ABGUXOLLXQTDJQ-UHFFFAOYSA-N 304.350 1.034 0 40 DDAB COc1ccc(CN2CCOC[C@H](Oc3cnccn3)C2)cc1 77265897 AFSQTPLQPXIRNG-MRXNPFEDSA-N 315.373 1.765 0 40 DDAB biogenic,in-vitro C[C@H](N)C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1 79393054 UPSCUQARSMUOQA-ZDUSSCGKSA-N 319.405 1.499 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2CCO)n1 72382633 SHOQJXMVRGJASF-CQSZACIVSA-N 314.393 1.838 0 40 DDAB Cn1cc([C@@H](O)CNC(=O)c2sccc2OC(F)F)cn1 73147635 QGROJMWZHWJSOE-QMMMGPOBSA-N 317.317 1.546 0 40 DDAB CCc1nc(=NCc2cnc(Br)cn2)s[nH]1 521398598 SXBAUQIEIWUURE-UHFFFAOYSA-N 300.185 1.687 0 40 DDAB CN(CC(=O)N1CCC2(CCNCC2)CC1)Cc1ccncc1 71405630 ZFGFZDOOKPQISA-UHFFFAOYSA-N 316.449 1.506 0 40 DDAB CC1(C)OCC2(CO1)CN(C(=O)c1ccc3nsnc3c1)C2 70971900 USYXVHKUDWSSQU-UHFFFAOYSA-N 319.386 1.916 0 40 DDAB CCOCc1cccc(S(=O)(=O)NCCN(CC)CC)c1 72241250 PPWCASDHEGXQDL-UHFFFAOYSA-N 314.451 1.843 0 40 DDAB COCC(=O)N[C@H](C(=O)NCc1coc2ccccc12)C(C)C 78114977 UPUMLRPSGWGFRW-INIZCTEOSA-N 318.373 1.836 0 40 DDAB COc1ccc(-c2noc([C@H](N)CCS(C)(=O)=O)n2)cc1 35660452 DTRQRACCACYHTQ-LLVKDONJSA-N 311.363 1.180 0 40 DDAB NC(=O)CN1CCC(c2cncc(Oc3ccccc3)n2)CC1 72361864 PJAAKHIFJGWRGC-UHFFFAOYSA-N 312.373 1.934 0 40 DDAB CN1CCC[C@H](CNS(=O)(=O)N(C)C)[C@@H]1c1ccccc1 79097896 INLUIUPHYARMME-CABCVRRESA-N 311.451 1.466 0 40 DDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 96220665 NMCTZNDEERQCDV-CYBMUJFWSA-N 319.405 1.551 0 40 DDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2cccs2)[C@H]1O 514288405 CVDXFEKLJBPNNK-SGMGOOAPSA-N 312.435 1.338 0 40 DDAB biogenic,in-vitro C[C@H](C(=O)N1CCC[C@@H]1C(=O)N(C)C)[C@@H](N)c1ccccc1 96467557 AIVYURAINBCRKO-NWANDNLSSA-N 303.406 1.402 0 40 DDAB COCC(=O)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110447 XTMZDARYVNXGRE-CJNGLKHVSA-N 324.352 1.254 0 40 DDAB CN(C)S(=O)(=O)N1CCC(Oc2ncccc2Cl)CC1 96024857 VAGWHHRSOIAHDU-UHFFFAOYSA-N 319.814 1.385 0 40 DDAB O=C(NC[C@@H](O)COCC1CC1)c1c(F)cccc1Cl 96474059 UGDVTAMSDMZJPJ-SNVBAGLBSA-N 301.745 1.996 0 40 DDAB CCN1CCN(C)C2(CCN(Cc3nccs3)CC2)C1=O 96050040 GYSBZSQSQFKOQE-UHFFFAOYSA-N 308.451 1.272 0 40 DDAB CN(C)C(=O)COCc1noc2c1CN(Cc1ccoc1)CC2 96260006 NNTJGQOYCONFTI-UHFFFAOYSA-N 319.361 1.431 0 40 DDAB COCCN1CCOCC12CCN(Cc1[nH]cnc1C)CC2 96074617 FBKWKOYCFJIVQJ-UHFFFAOYSA-N 308.426 1.031 0 40 DDAB CC(C)C[C@@H](CN)NS(=O)(=O)c1cccc2cccnc12 95432081 GQLRKMOVYQRETP-ZDUSSCGKSA-N 307.419 1.887 0 40 DDAB CS(=O)(=O)[C@@H](CO)C(=O)c1ccc(Br)cc1 96518742 KHGFEPBIRRITMV-VIFPVBQESA-N 307.165 1.037 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96042990 SEPVVQXDRWIZEW-BHYGNILZSA-N 315.417 1.730 0 40 DDAB O=C(NCCCn1c(-c2ccccn2)noc1=O)C1CCCC1 96461776 RDZNSADTTDVOMH-UHFFFAOYSA-N 316.361 1.595 0 40 DDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOCC1CC1 247872623 RNLXOROFHAAQQZ-CQSZACIVSA-N 317.389 1.524 0 40 DDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@@H](c2ccn[nH]2)C1 257325085 WRJGNQMWZSSTNC-GFCCVEGCSA-N 308.345 1.825 0 40 DDAB CN(C(=O)COc1ccc(F)cc1F)[C@@H]1CCC[C@@H](O)[C@@H]1O 257299403 RPYIQIDYHGVNCM-LALPHHSUSA-N 315.316 1.076 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2cc(C)no2)O1 252509717 YTYHCZWQDLFZIL-DCQANWLSSA-N 308.334 1.307 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1cccnc1 43122869 BSIGQDBSIILHET-CMDGGOBGSA-N 309.369 1.999 0 40 DDAB O=C(Cc1ccc(F)cc1F)N1CC[C@@H](Oc2ccncn2)C1 575606620 RBRWLVJDAYFRGX-CYBMUJFWSA-N 319.311 1.977 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccc(F)c(F)c1 585287274 WMNXHYSZVQNMLV-MCIONIFRSA-N 315.316 1.466 0 40 DDAB C[C@H]1COCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 46255592 ODANQPTVJQDGGO-JTQLQIEISA-N 311.765 1.901 0 40 DDAB CCN(CC)CC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 51589526 GLIZTTSVXBJYKY-HNNXBMFYSA-N 323.437 1.419 0 40 DDAB CCNC(=O)COc1cccc([C@@H](C)NS(=O)(=O)CC)c1 53667784 WPSXRUSDCCAWMR-LLVKDONJSA-N 314.407 1.202 0 40 DDAB CN(C)C(=O)CNC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 56798629 LDLINOYPHPHKCO-CQSZACIVSA-N 307.369 1.630 0 40 DDAB CCn1ccnc1CN1CCO[C@H](Cn2nc(C)nc2C)C1 75132200 ODUAHNFHMBFTGZ-AWEZNQCLSA-N 304.398 1.012 0 40 DDAB Cc1cc(I)cnc1NS(C)(=O)=O 97098353 GAUQLNZUSHDWCS-UHFFFAOYSA-N 312.132 1.366 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(C[C@H]3CCOC3)C2)o1 107354191 LNLBJCUKRSRHHZ-HUUCEWRRSA-N 321.421 1.696 0 40 DDAB COc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N(C)C 16575284 DOQUQJKRJAPUFK-UHFFFAOYSA-N 314.407 1.331 0 40 DDAB CC(C)C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 19086096 JQFMHFCEMVMJAP-DYVFJYSZSA-N 300.358 1.486 0 40 DDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCc1ncc[nH]1 19576293 CVLGOIGGJZRNLX-OGHNNQOOSA-N 324.340 1.113 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCC(=O)NC1 107587077 XFCFJBAAOLBTJN-STQMWFEESA-N 301.390 1.380 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Oc2cccnn2)C1 225416650 DWLUVSYUMVRKIY-GFCCVEGCSA-N 301.350 1.120 0 40 DDAB Cc1cc(-c2noc(CNC(=O)NC[C@H]3CCCO3)n2)no1 238878901 OTEQAOLQTKGVCO-SECBINFHSA-N 307.310 1.011 0 40 DDAB Cc1ccc([C@H](CNC(=O)C2(C(=O)O)CC2)N2CCCC2)o1 558387132 IXEZFCDXTFPDTP-LBPRGKRZSA-N 306.362 1.706 0 40 DDAB O=C(c1ccccc1I)N1CCNCC1 21960492 PJRWJQFQPKHRIH-UHFFFAOYSA-N 316.142 1.337 0 40 DDAB in-vitro Cc1occc1-c1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)o1 7195024 OHZRJBRLAACHEA-SECBINFHSA-N 324.362 1.950 0 40 DDAB COc1cc(F)c(S(=O)(=O)N2CCO[C@@H](C)C2)cc1OC 27967240 GNGMVCRRZPPVSQ-VIFPVBQESA-N 319.354 1.252 0 40 DDAB CC(C)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775963943 KVDKLLDJKDILDY-ZDUSSCGKSA-N 315.377 1.826 0 40 DDAB biogenic,in-vitro CCc1c(C)ncnc1N1CCN(c2ncnc3[nH]cnc23)CC1 1776009739 PAVNRDKFONLEHU-UHFFFAOYSA-N 324.392 1.340 0 40 DDAB COc1ccc(NC(=O)c2c(OC)cc(=O)n3c2CCC3)cn1 245131238 VKGXKIPZAHCRFV-UHFFFAOYSA-N 315.329 1.459 0 40 DDAB COc1cc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)on1 1565547831 ODBMVGZONAFMAQ-OCCSQVGLSA-N 323.393 1.255 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)CC4(O)CCC4)C[C@H]3O2)no1 1565549627 WRXCVSNAFQVJDF-YNEHKIRRSA-N 321.377 1.362 0 40 DDAB C[C@@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)C[C@@H](C)O1 245772 HZFNPRUFZPYWPI-VXGBXAGGSA-N 304.346 1.620 0 40 DDAB O=C([C@@H]1CCCO1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 4165369 LRKRUIXXKFCZBL-KBPBESRZSA-N 307.371 1.509 0 40 DDAB O=C(NCC[C@@H](CCO)c1ccccc1)C(=O)Nc1ccon1 206628423 IUUPEMZVZYVDQU-ZDUSSCGKSA-N 317.345 1.286 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2Cl)C1 52669121 NDXCLGHAAUIRAM-GFCCVEGCSA-N 302.827 1.854 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccco2)cc1 75156214 QMINUCSKMLWFCK-INIZCTEOSA-N 303.314 1.704 0 40 DDAB COc1ccccc1CNC(=O)[C@H](c1ccccc1)n1cnnn1 206325760 RWQFDUBHRWHQKZ-INIZCTEOSA-N 323.356 1.588 0 40 DDAB CCc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 30584104 OITWCEJWHQSRSC-HNNXBMFYSA-N 324.446 1.793 0 40 DDAB COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC 100794881 DYWVYGLQBFFOBV-JTQLQIEISA-N 317.341 1.897 0 40 DDAB biogenic C[C@H]1COCCN1C(=O)CCc1nc(Cc2ccccc2)no1 40529928 SLZPHISTQQLTAX-ZDUSSCGKSA-N 315.373 1.840 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)N2 31813283 PKMPCURJWJSMPA-LBPRGKRZSA-N 313.361 1.979 0 40 DDAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 236898 NJGNKVWYKDTJIZ-UHFFFAOYSA-N 305.359 1.584 0 40 DDAB Cc1cccc2nc(C(=O)Nc3nc(CC(N)=O)cs3)cn12 21040344 GFPMPLKMEVYLBA-UHFFFAOYSA-N 315.358 1.379 0 40 DDAB CCOCCN1CCN(C[C@H](O)c2cc(C)ccc2OC)CC1 69772873 LGIDLSVSRMHBCL-KRWDZBQOSA-N 322.449 1.691 0 40 DDAB CC(C)C(=O)C[C@H](c1ccccc1)C1C(=O)NC(=O)NC1=O 354936 UDFFIQZWYPEUFJ-LLVKDONJSA-N 302.330 1.368 0 40 DDAB CCN1N=C(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1=O 76017703 ZHMAPBFGMDEUHK-SWLSCSKDSA-N 315.373 1.583 0 40 DDAB COc1ccc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)nn1 78081497 QVNIGVOPCFYHQL-UHFFFAOYSA-N 310.317 1.831 0 40 DDAB CCCc1noc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900484 GVLIRWPZDCSQKB-JTQLQIEISA-N 318.381 1.224 0 40 DDAB Cc1nc(CNC(=O)c2ccc(F)c(Br)c2)n[nH]1 78932520 AAUOCXIJRPXOMX-UHFFFAOYSA-N 313.130 1.945 0 40 DDAB CCCn1nnnc1CNc1cc(F)c(F)cc1NC(C)=O 79016734 NNMZJCGEKCXFPK-UHFFFAOYSA-N 310.308 1.932 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)c1 4318900 MZARILAIICLZPT-HIFRSBDPSA-N 320.389 1.854 0 40 DDAB OC[C@@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)C[C@H]1O 4824000 PESSKGMTBFGAGJ-GRYCIOLGSA-N 303.145 1.984 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2N)c(C)c1 4984829 ZFNOWMAUAIFZSI-LBPRGKRZSA-N 315.377 1.375 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCN2CCCC[C@H]12 46993377 VSEBCEPXQMHBAX-UONOGXRCSA-N 322.430 1.447 0 40 DDAB Nc1nc(SCC(=O)NC2(c3ccccc3)CCC2)n[nH]1 53334739 RNFJSHXYPCHPTP-UHFFFAOYSA-N 303.391 1.675 0 40 DDAB COC(=O)c1cc(-c2ccccc2Cl)n2c(N)nnc2n1 8655752 VFKNPKXCQAPBTM-UHFFFAOYSA-N 303.709 1.814 0 40 DDAB Cc1nn(C)c(C)c1CNc1nccc(=N[C@@H]2CCCOC2)[nH]1 518672463 VNJZNXROJPOADS-CYBMUJFWSA-N 316.409 1.452 0 40 DDAB NC(=O)[C@H](NC(=O)CSc1ccncc1)c1ccccc1 41866424 JJUPLAHBJCJXPY-CQSZACIVSA-N 301.371 1.517 0 40 DDAB NC(=O)CNC1(c2ccc(Br)cc2)CCOCC1 54394256 VWFHZFOVXIIRIL-UHFFFAOYSA-N 313.195 1.530 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 69845082 XTKZJBKOYIYIFZ-OLZOCXBDSA-N 302.382 1.462 0 40 DDAB CSCCc1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1 69847877 AZEQYPYUAUELND-UHFFFAOYSA-N 322.430 1.514 0 40 DDAB CCn1c(=O)c2sccc2n(CC(=O)NC(C)(C)C)c1=O 57478739 WRGUEWLADUIHQX-UHFFFAOYSA-N 309.391 1.159 0 40 DDAB CCOCC(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 107722177 BAUOAFXZIBDLGH-KCQAQPDRSA-N 324.352 1.394 0 40 DDAB COC(=O)CCC(=O)Nc1cc(C)ccc1N1CCOCC1 57351142 MXQUKGVXBFETQR-UHFFFAOYSA-N 306.362 1.723 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1cccs1)CS2 25842582 RSHOYRCPKOXMIS-FZMZJTMJSA-N 310.444 1.861 0 40 DDAB CC(C)c1ccc(NC(=O)[C@]2(NC=O)CN3CCC2CC3)cc1 35170811 LXYQBOPXSFCPIF-SFHVURJKSA-N 315.417 1.959 0 40 DDAB O=C(NCc1cc(F)ccc1F)c1cn(C2CCNCC2)nn1 107929419 MAFYZLUDDUZVGQ-UHFFFAOYSA-N 321.331 1.411 0 40 DDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC)ccc1Cl 3209543 URPXTSDCXWJGQC-UHFFFAOYSA-N 304.799 1.730 0 40 DDAB O=C1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCN1 58075379 OSWMBJRRGQGWLV-UHFFFAOYSA-N 300.318 1.669 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1ccc(-n2cncn2)nc1 48286013 DMKJLQHPVXUYOX-ZDUSSCGKSA-N 301.350 1.238 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 48273041 MRSKMLHORVSQMR-CQSZACIVSA-N 308.765 1.334 0 40 DDAB COC(=O)[C@H]1CCCCN1Cc1nnnn1-c1ccccc1 27562535 DTJXKGUSULKOSG-CYBMUJFWSA-N 301.350 1.190 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2ccco2)NC(=O)N[C@H]1CC 58171308 YYBBDTKYJRQVHU-LBPRGKRZSA-N 321.377 1.620 0 40 DDAB CCn1cnnc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1 44942491 GEOFKKFSKNEBBA-CYBMUJFWSA-N 302.403 1.940 0 40 DDAB O=C(Nc1cn[nH]c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 44915242 LQWOHJGLNOEBBR-QMMMGPOBSA-N 306.272 1.680 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(N2CCOCC2)nc1 44913051 FLZZQYPSIUYBMD-ZDUSSCGKSA-N 315.373 1.872 0 40 DDAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1nnc2n1CCC2 44934470 OYDHSYGGPIWTCX-GXFFZTMASA-N 314.345 1.242 0 40 DDAB O[C@@H](CN(Cc1cccnc1)C[C@@H]1CCCO1)Cn1cccn1 58404474 MHUQIGKMYCVOSW-IRXDYDNUSA-N 316.405 1.320 0 40 DDAB Cc1cccc2nc(CN3C(=O)c4ccccc4C3=O)cc(=O)n12 11148532 JCNNHSCQLMWULR-UHFFFAOYSA-N 319.320 1.799 0 40 DDAB Cc1noc(CCNC(=O)N[C@@H]2CCc3ccccc3C2)n1 69929237 VUXWATZHSNFDOT-CQSZACIVSA-N 300.362 1.777 0 40 DDAB CCCCNC(=O)/C=C/c1ccc(OCC(N)=O)c(OC)c1 12903701 YXFIJTGTQUGRHE-SOFGYWHQSA-N 306.362 1.489 0 40 DDAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)OCCO2 12984751 HBGZQGDRSGVUFN-JTQLQIEISA-N 300.314 1.637 0 40 DDAB O=C(CCCOc1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 12999032 IPDZPFZMJNMPNG-LBPRGKRZSA-N 315.366 1.288 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCCC1 49470327 VNTYOCXANYFZGE-SNVBAGLBSA-N 300.355 1.115 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1cnn(-c2ccccn2)c1C 49743963 GGOOAXQJXBFQFX-UHFFFAOYSA-N 315.377 1.303 0 40 DDAB O=C(CCNc1ncccn1)N1CCN(c2ccccc2)CC1 13721153 QKJYAZCVHWUCPQ-UHFFFAOYSA-N 311.389 1.627 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 8990905 JKFHJPPARVRCSH-KWQFWETISA-N 312.372 1.069 0 40 DDAB O=C(CCn1cncn1)N1CCN(c2ccc(Cl)cn2)CC1 65504750 JOSSSELBAFLFIA-UHFFFAOYSA-N 320.784 1.065 0 40 DDAB C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)N1CCCC1 6423223 BCSWOEYALNEXQU-LLVKDONJSA-N 315.325 1.961 0 40 DDAB NC(=O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 65605479 CTKQMQITQCSPPH-LLVKDONJSA-N 307.152 1.991 0 40 DDAB Cn1cccc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 4564252 RAYRVENILJVYCL-UHFFFAOYSA-N 315.329 1.208 0 40 DDAB COCc1nnc2sc(Cc3ccc(OC)c(OC)c3)nn12 6661181 JQBBNAKMUAECLC-UHFFFAOYSA-N 320.374 1.940 0 40 DDAB CC(=O)c1cc(NC(=O)c2nccnc2C(=O)O)ccc1O 71285230 QYNBTWKTUQRTQL-UHFFFAOYSA-N 301.258 1.335 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)c(F)c1 15443660 SGLKZCURYDEFJN-UHFFFAOYSA-N 301.339 1.530 0 40 DDAB CC(C)OCc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 7865803 MYKZNUOJQLTUGK-UHFFFAOYSA-N 320.345 1.320 0 40 DDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCC(F)(F)F 8341498 SWCBIRHBKSQSPY-MRVPVSSYSA-N 324.324 1.810 0 40 DDAB CN(C)c1ccc(CCNC(=O)C(=O)Nc2nccs2)cc1 69445197 RBXZJIPPHMMBRF-UHFFFAOYSA-N 318.402 1.507 0 40 DDAB CN1CCO[C@@H](CNC[C@H](O)c2cc(Cl)ccc2Cl)C1 69661348 HMNRIZLAPGLTNJ-FZMZJTMJSA-N 319.232 1.947 0 40 DDAB CCOC(=O)C(NC(=O)C1=C(Cl)CCCC1)C(=O)OCC 69644739 HPVVWJDFEQLPCK-UHFFFAOYSA-N 317.769 1.664 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@H](Cn3cncn3)C2)no1 69738795 UPTHENIZKLCUGW-ZDUSSCGKSA-N 318.381 1.315 0 40 DDAB C[C@H](CNC(=O)CCN1C(=O)CCC1=O)Nc1ccccc1 72311606 FHIGQNNVRLJTAF-GFCCVEGCSA-N 303.362 1.142 0 40 DDAB Cc1ccsc1CN(C)c1ncnc2c1cnn2CCO 97200068 AGWDYTQXXYKUPN-UHFFFAOYSA-N 303.391 1.825 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)CC1=CCCCC1 71883215 UTNHXBXIBROWPD-UHFFFAOYSA-N 302.440 1.665 0 40 DDAB COc1cccc(CO[C@@H](C)C(=O)N2CCCn3ncnc32)c1 71839399 JFIDMKBHDIQVEO-LBPRGKRZSA-N 316.361 1.629 0 40 DDAB CCCn1nc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)ccc1=O 71849889 MOCSDYBNRMFNQE-ZDUSSCGKSA-N 315.377 1.744 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C[C@@H]2OCCc3ccsc32)CC1 71871518 YVSUYGLSSDLFFK-JSGCOSHPSA-N 324.446 1.277 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCCN1CCN(C)CC1 71883025 MZQMEDZVVGZREY-HUUCEWRRSA-N 317.433 1.907 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1 71828361 XLPCWJNSOGXENS-CYBMUJFWSA-N 320.393 1.498 0 40 DDAB C[C@H]1C[C@@H](C(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CCO1 1548597051 FYCQJGMAVIADBG-JQWIXIFHSA-N 322.361 1.894 0 40 DDAB CN1C[C@H](NC(=O)c2cccnc2N2CCCCC2)CC1=O 72063022 UARHMOXTSAUJQA-GFCCVEGCSA-N 302.378 1.032 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)NCC1(c2cccc(F)c2)CC1 72292550 SIQBPCHXDSKMTP-LBPRGKRZSA-N 317.368 1.837 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 72235506 LDZYPBGDRBLPSA-SMDDNHRTSA-N 302.382 1.516 0 40 DDAB Cn1c([C@@H]2CCCN(C(=O)NCC(F)(F)F)C2)n[nH]c1=S 72285521 OCZXYLZWBVWZMY-SSDOTTSWSA-N 323.344 1.929 0 40 DDAB O=C(Nc1c[nH]cc(Br)c1=O)c1csnn1 95446452 YYTCJHISGZXVGI-UHFFFAOYSA-N 301.125 1.241 0 40 DDAB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1c(C)cnn1CC1CC1 95406653 CFTYVSKVONLIJA-NSHDSACASA-N 307.398 1.447 0 40 DDAB C[C@H](O)CN(C(=O)N[C@@H](C)c1nncn1C)C1CCCCC1 95942725 QQXXCGXFBNNPKC-RYUDHWBXSA-N 309.414 1.601 0 40 DDAB CC(=O)N[C@H]1CCCN([C@H](C(=O)NC(C)C)c2ccccc2)C1 95952529 RGOYSIKHYUYNRQ-IRXDYDNUSA-N 317.433 1.853 0 40 DDAB CC(C)(C)[C@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@H]1O 95996635 RCHMUNURRFYHBU-NWDGAFQWSA-N 321.425 1.163 0 40 DDAB CC(C)c1csc2nc(CCCS(N)(=O)=O)[nH]c(=O)c12 95986513 WPQKBROPPYRJJX-UHFFFAOYSA-N 315.420 1.329 0 40 DDAB Cc1cnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 95951062 OFSDSKZDQDYDHS-HBNTYKKESA-N 321.402 1.954 0 40 DDAB O=C(Nc1cccc2c1CCCC2)N1CCN(CCO)CC1 75110855 COEFHWCMYFCVFB-UHFFFAOYSA-N 303.406 1.707 0 40 DDAB Cc1cc(C)c(CNC(=O)Cc2ccc3c(c2)OCO3)c(=O)[nH]1 75121961 AMWMRYQATVWHNF-UHFFFAOYSA-N 314.341 1.579 0 40 DDAB C[C@H](CNC(=O)NCc1cn2ccsc2n1)N(C)C1CC1 89901131 RUCQODFBTVIHQT-SNVBAGLBSA-N 307.423 1.678 0 40 DDAB C[C@H]1CN(C(=O)CCn2cc(Br)cn2)C[C@@H](C)O1 27968852 FKGJZIUOZVOFJN-AOOOYVTPSA-N 316.199 1.672 0 40 DDAB Cc1ccc(C(C)(C)CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)nc1 1553507486 GMEBKUBHAWHMTP-GUYCJALGSA-N 302.422 1.800 0 40 DDAB CN1CCN2CCN(c3cc(C(F)(F)F)ccn3)C[C@@H]2C1=O 65505590 HNHIORFRJGZXOU-LLVKDONJSA-N 314.311 1.063 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 79412825 WHEZFDXMQYFQOJ-DZGCQCFKSA-N 319.405 1.593 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2ccc(N3CCCC3)cc2)CCO1 72379745 DUMHBBQUUHZXBH-QGZVFWFLSA-N 317.389 1.003 0 40 DDAB Cc1nonc1CC(=O)N[C@@H](C)Cn1c(=O)oc2ccccc21 72324335 UIULBGVUWLZAIK-VIFPVBQESA-N 316.317 1.033 0 40 DDAB CN(Cc1ccnn1C)c1ncnc2c1cnn2-c1ccccn1 46088338 CFCMKFQUNLOTLL-UHFFFAOYSA-N 320.360 1.580 0 40 DDAB CNC(=O)c1cccc(CN2CCOC[C@H]2c2cccn2C)c1 131840546 FAUNWIAIMBYRTH-KRWDZBQOSA-N 313.401 1.958 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2O)cc1 9216644 SVFBVEZQBRNLRB-UHFFFAOYSA-N 320.370 1.861 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(c2ncc(Cl)cn2)CC1 338482213 AHHJZLDBBQVQLG-UHFFFAOYSA-N 316.814 1.134 0 40 DDAB O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1n1nc(-c2ccco2)oc1=O 570789112 FKQPKOATBFSAAY-GMTAPVOTSA-N 303.318 1.716 0 40 DDAB CC1(C(=O)NC[C@@H]2CCC3(CN(C(=O)C4(C)CC4)C3)O2)CCC1 1068601214 FRUIFHXABFIJBR-ZDUSSCGKSA-N 320.433 1.853 0 40 DDAB Cc1cnccc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 192632960 JDDVSOQPXQPYLN-UHFFFAOYSA-N 322.390 1.030 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 195530474 SIVOUGAMGBUGFX-NZRXLOQISA-N 317.389 1.228 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1nc2c(s1)COCC2 76019779 LYFZSCMZVLINIM-UHFFFAOYSA-N 317.370 1.584 0 40 DDAB Cn1cccc1[C@@H]1COCCN1CC(=O)NCCC(C)(C)C 132003437 WGUJLHZAEMESOU-HNNXBMFYSA-N 307.438 1.951 0 40 DDAB Cc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1O 80034279 PRNBWGQPYHVVRA-UHFFFAOYSA-N 300.362 1.979 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2cccnn2)C1 225408873 ASUZXOLMDLPEBF-CYBMUJFWSA-N 323.356 1.506 0 40 DDAB COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccoc1Cl 225789307 BOLDGOANGCOWSL-NKWVEPMBSA-N 323.754 1.190 0 40 DDAB CCn1cc(S(=O)(=O)N2CCCc3ncccc32)nc1C 333427722 NANYXQLVGWLFSB-UHFFFAOYSA-N 306.391 1.748 0 40 DDAB CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 96038760 PERKUIGQRULTKL-NVXWUHKLSA-N 318.373 1.142 0 40 DDAB COC(=O)[C@@H]1CCCN1CCC(=O)Nc1cc(F)cc(F)c1 96443265 PTHLYPMMUFMKMX-ZDUSSCGKSA-N 312.316 1.931 0 40 DDAB COc1ncc(Br)cc1C(=O)NCCN(C)C 96510489 WRECTTVCLOGALD-UHFFFAOYSA-N 302.172 1.144 0 40 DDAB O=C(N1CC(Nc2ccncn2)C1)C1(c2ccc(F)cc2)CC1 618254335 XMYALMGOBDFABZ-UHFFFAOYSA-N 312.348 1.970 0 40 DDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C2CCOCC2)C3)n1 96109129 OKQSNTKFVWLRGD-PBHICJAKSA-N 319.405 1.291 0 40 DDAB O=C(O)[C@H]1C[C@H](N2CCCC2)CCN1C(=O)c1cccs1 96069038 BQVFOFJCTIIIGL-VXGBXAGGSA-N 308.403 1.902 0 40 DDAB Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)CCc2ccccc2)cn1 96200588 LXRQZRKLXVWKDT-IRXDYDNUSA-N 313.401 1.557 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)C1CCCC1 96296093 TYGRYYOCZCPLIN-OAGGEKHMSA-N 310.438 1.343 0 40 DDAB biogenic,in-vitro O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1cccnc1 96059758 ZTZCRBCEPJQPGZ-OAHLLOKOSA-N 312.373 1.732 0 40 DDAB CCN(CCN[C@H]1CCCS(=O)(=O)C1)c1ccccc1C 97230735 HQCTVCZLBDOTNJ-HNNXBMFYSA-N 310.463 1.988 0 40 DDAB O=C(c1ccoc1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96050839 WEONUIQRNLYXCM-INIZCTEOSA-N 312.329 1.339 0 40 DDAB CCCNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 242719052 DATRNIHVNBZALI-UHFFFAOYSA-N 302.371 1.114 0 40 DDAB CC(=O)N[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H]1O 257229635 FYWFSXCVZOETGY-CHWSQXEVSA-N 313.195 1.130 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@H]1C[C@@H](CO)[C@H](O)C1 85468904 LAAVOIIZVVFMLN-YQQAZPJKSA-N 315.369 1.467 0 40 DDAB CN([C@@H]1CCCN(c2ccccn2)C1)S(=O)(=O)N1CCCC1 257332585 XXXWEKZWUAAMJP-CQSZACIVSA-N 324.450 1.323 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 257278227 OBJCGCYVEAVRBO-LBPRGKRZSA-N 312.377 1.271 0 40 DDAB c1cnc(N2CCC3(CCO[C@@H]3Cc3cncnc3)CC2)cn1 257211732 CAENJHHGSRDBPW-OAHLLOKOSA-N 311.389 1.885 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnccn2)C[C@@H]1c1ccccc1 257305361 SPQCAQIMOXPVPV-MRXNPFEDSA-N 310.357 1.522 0 40 DDAB O=C(c1cnco1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257307292 SYAUQJMWTPGSPM-NSHDSACASA-N 313.317 1.790 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H]3NCCS[C@H]3C2)cc1 299803686 RDBZGGDYXYAFFO-KGLIPLIRSA-N 312.460 1.463 0 40 DDAB CCCCNC(=O)c1c(NS(=O)(=O)CC)nc(C)n1C 390835686 UZAUPFNCKSEXJH-UHFFFAOYSA-N 302.400 1.020 0 40 DDAB Cc1nccc(N2CCOC[C@](O)(COc3ccccc3)C2)n1 585277374 VSGZQNFKRBGEFI-KRWDZBQOSA-N 315.373 1.432 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cscn1)C2 585150426 YSFKIYNWDBRKJC-JTQLQIEISA-N 303.391 1.286 0 40 DDAB Cc1cc(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)n(C)n1 43434069 NVSGQAKXOHBCJZ-AWEZNQCLSA-N 323.441 1.597 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H]1Cc3cc(Cl)ccc3O1)C2 69652128 YZGMYSPWOFUZBL-ZDUSSCGKSA-N 318.764 1.586 0 40 DDAB CN1CCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 70006627 DZOXQFWGEJYJDF-GFCCVEGCSA-N 313.467 1.098 0 40 DDAB COC(=O)c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 17972037 JJLVUWWQKUANNY-UHFFFAOYSA-N 319.342 1.287 0 40 DDAB CCOC(=O)CSc1nc2c(c(=O)n1C)S[C@@H](C)C2 250201 SHRXBRHATKUWIW-ZETCQYMHSA-N 300.405 1.472 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1cccc(C(F)(F)F)c1 107286634 MJQKKRUKHLSTSU-DLOVCJGASA-N 303.280 1.567 0 40 DDAB CC(C)NC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479669 SYPHDWCRQHTKHD-NSHDSACASA-N 319.361 1.271 0 40 DDAB Cc1nc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cs1 1888834277 RVDLQWAXWXKTPW-CQSZACIVSA-N 309.435 1.665 0 40 DDAB C[C@@H](C(=O)Nc1cnn(C)c1)n1nc(C(F)(F)F)ccc1=O 1888897649 NIKROWXEMQXOEE-ZETCQYMHSA-N 315.255 1.195 0 40 DDAB CN1C[C@@H](CN2CCC[C@H](COc3ncccn3)C2)CC1=O 1848967437 DANFDOZTMLOZAO-KBPBESRZSA-N 304.394 1.046 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)c2c(C)nn(C)c2C)cc1 25556617 FKPQLFCAUGJGMV-UHFFFAOYSA-N 300.362 1.925 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2cccc(N(C)C)c2)C1 28013639 HFLZBQUBURMAGM-QGZVFWFLSA-N 319.449 1.839 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC(n3nccn3)CC2)ccc1F 238877323 OJPKCAQWKHURBJ-UHFFFAOYSA-N 324.381 1.751 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@H](N4CCCCC4)CS3)C2)c1 2056224528 UJVQOGLDPCXKDF-ZDUSSCGKSA-N 320.462 1.606 0 40 DDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 1565555972 LFSPGPABVLVWGW-CABCVRRESA-N 308.422 1.269 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)Cc3ccccn3)C2)C1 1565552608 PBBSWMCJGWYMPG-UHFFFAOYSA-N 316.405 1.276 0 40 DDAB CC(C)C(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8986838 PKLDYIWTGGZTKZ-NSHDSACASA-N 304.346 1.540 0 40 DDAB O=C(NCc1ccsc1)C(=O)Nc1ccc2c(c1)OCO2 13724043 VTQUEKNQIRXJPN-UHFFFAOYSA-N 304.327 1.732 0 40 DDAB O=C(NC1CC1)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714869 VYWRZELLVYYLHH-NSHDSACASA-N 316.405 1.397 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCn1ccnc1C 38718343 MELOVSISXICENK-UHFFFAOYSA-N 320.780 1.908 0 40 DDAB O=S(=O)(NCc1nccnc1-c1ccoc1)c1cccnc1 575619877 GVWZNPAYBUIQCV-UHFFFAOYSA-N 316.342 1.610 0 40 DDAB C[C@@H](COc1cccc(F)c1)NC(=O)N1CCC(C(N)=O)CC1 50156462 VMNAVNBHHDMNLN-NSHDSACASA-N 323.368 1.500 0 40 DDAB COc1cccc(N2CCN(Cc3nnnn3C3CC3)CC2)c1 30964875 OZCYBSWDOWTEDR-UHFFFAOYSA-N 314.393 1.339 0 40 DDAB O=C1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCN1 40496204 CDWKLGPLKLJDRK-UHFFFAOYSA-N 322.162 1.502 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H](C(=O)N2CCOCC2)C1 40487676 STEPLGOFLDZYHC-AWEZNQCLSA-N 307.394 1.362 0 40 DDAB CN(C)C(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100775468 DPSSMMFTNRYPLZ-JURCDPSOSA-N 310.353 1.700 0 40 DDAB COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N1CCCCC1 40554369 QAGUKYXFYJWWNM-ZDUSSCGKSA-N 319.405 1.895 0 40 DDAB OCC[C@H]1CN(Cc2ncc[nH]2)CCN1Cc1ccc(F)cc1 20779910 ZLYOXAFIFDWWLK-INIZCTEOSA-N 318.396 1.618 0 40 DDAB Cn1ncc2c(=O)n(Cc3noc(-c4ccsc4)n3)cnc21 32789037 MHPHEMGSYOZZRP-UHFFFAOYSA-N 314.330 1.290 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CCN(C[C@H](C)O)CC1 70040981 QKUCMVWBROUOFR-AWEZNQCLSA-N 306.406 1.071 0 40 DDAB CCCn1nc2c(cc1=O)CN(Cc1cn3ccccc3n1)CC2 76064540 AKYPAGVFIKCLKX-UHFFFAOYSA-N 323.400 1.859 0 40 DDAB CC(C)[C@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CCS1 76064939 PEHIOXFUGWVWCG-HUUCEWRRSA-N 322.478 1.989 0 40 DDAB C[C@@]1([C@@H]2CCCN(Cc3cccc(F)c3F)C2)NC(=O)NC1=O 76059113 QHJWGFASMXDISY-BZNIZROVSA-N 323.343 1.775 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1OC 76089408 CGQLDCCCFIXRMT-NWDGAFQWSA-N 321.377 1.157 0 40 DDAB C[C@@H](NC(=O)N1CCO[C@H](CO)C1)c1ccc(F)c(F)c1 78821826 ARTHEOHNBRGTDG-KOLCDFICSA-N 300.305 1.429 0 40 DDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 2206268 RYBHMPAUQBHUNT-VWPFQQQWSA-N 317.341 1.515 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4186589 XCZFTKUACZLDMX-UONOGXRCSA-N 306.362 1.545 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N1c2ccccc2C[C@H]1C 4807654 CEJQASOWCYIFSY-ZJUUUORDSA-N 303.391 1.669 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 6699559 MFNGQGUIVNUSNV-XWUBHJNHSA-N 321.329 1.521 0 40 DDAB COc1ccc(OC[C@@H](O)CNCCCO)c(C(C)(C)C)c1 6790340 PPCCNVYGFNUISX-ZDUSSCGKSA-N 311.422 1.704 0 40 DDAB CCn1nc(C)c(C(=O)Nc2cnn(CC)c2C(N)=O)c1C 2781789 ZZPFJHSIPAGAEW-UHFFFAOYSA-N 304.354 1.087 0 40 DDAB CN(Cc1cccnc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 104313111 AGBNQYZQSCUXQT-INIZCTEOSA-N 309.369 1.841 0 40 DDAB CCO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cccnc1)CCO2 107720503 PJKMYYNJLWXELN-MGPQQGTHSA-N 312.391 1.039 0 40 DDAB COC(=O)C(=O)[C@H]1CCCc2cc(OC)c(OC)cc2C1=O 104251095 LHNYPGAKDYRKCW-JTQLQIEISA-N 306.314 1.581 0 40 DDAB CC(C)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)Nc1ccccc1 41788063 QDHUURROKBHIGM-OAHLLOKOSA-N 316.405 1.848 0 40 DDAB CCCc1noc(CCC(=O)NCc2nnc3ccccn23)n1 23056029 HAYBCJVATWRJDR-UHFFFAOYSA-N 314.349 1.314 0 40 DDAB CCOC(=O)c1nc2[nH]c(-c3ccc(OC)cc3)cc(=O)n2n1 100069555 OFONNEUEMHEBRT-UHFFFAOYSA-N 314.301 1.270 0 40 DDAB COc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cn1 24152639 YTDMCODKHSFZHO-UHFFFAOYSA-N 304.375 1.787 0 40 DDAB CCOc1cccc(N2CCN(C(=O)c3ccon3)CC2)n1 106836612 XSZFYDLSQDLQMU-UHFFFAOYSA-N 302.334 1.431 0 40 DDAB Cc1n[nH]cc1CNC[C@H](O)CN1CCc2ccccc2C1 97159395 RQKSNBFYCZDCOM-KRWDZBQOSA-N 300.406 1.227 0 40 DDAB Cc1cnn(C[C@H]2CCCN2[C@H](C)C(=O)Nc2ncccn2)c1 106843582 MZGJKYRLDHUEQK-ZIAGYGMSSA-N 314.393 1.473 0 40 DDAB CN(CC(=O)N[C@H]1CCc2ccccc21)c1ncnc2[nH]cnc12 56283538 XZBPCVCBUSPWNG-ZDUSSCGKSA-N 322.372 1.593 0 40 DDAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 57098031 VJKUZGDEBLOFHN-TXEJJXNPSA-N 308.353 1.581 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)NCCCCN1CCOCC1 48286112 LGEXJUOTNCRLRB-UHFFFAOYSA-N 315.417 1.939 0 40 DDAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(N)=O)n2)n1 3352931 JGIDPTFJAIIVHI-UHFFFAOYSA-N 308.725 1.180 0 40 DDAB CCCCNC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 27038529 UPMPOFDZCUCARM-NEPJUHHUSA-N 319.405 1.973 0 40 DDAB Cc1cc(CN2CCN(C[C@H](O)c3ccccc3)CC2)on1 22255326 OXEGWYGSGRJPTC-KRWDZBQOSA-N 301.390 1.834 0 40 DDAB COc1ccc(-c2noc(CN3CCC[C@H](O)C3)n2)cc1OC 58049857 QFERCSMWSYOYDY-LBPRGKRZSA-N 319.361 1.711 0 40 DDAB CCOC(=O)[C@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 58004321 FIDZGIRJZRFLMK-NSHDSACASA-N 321.402 1.858 0 40 DDAB CCCn1c(=O)n(CC(=O)Nc2cnn(C)c2)c2ccccc21 25307607 WJZPDQUPRMVBIQ-UHFFFAOYSA-N 313.361 1.585 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccc(-n2cccc2)c1 44720186 GYDJLGFTACPSMK-CYBMUJFWSA-N 318.398 1.642 0 40 DDAB CC(C)N(C(=O)CNc1ccn(CC(N)=O)n1)c1ccccc1 58180445 WURTUQYWUWJKEK-UHFFFAOYSA-N 315.377 1.222 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3cc[nH]n3)CC2)no1 58208895 GISSOAHNSXIDRO-LLVKDONJSA-N 303.366 1.913 0 40 DDAB CN(CCN1CCOCC1)C(=O)c1ccc(NC2CC2)nc1 69443365 WEZSMGUTECCSIS-UHFFFAOYSA-N 304.394 1.060 0 40 DDAB C[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCc2ccccc21 44912727 RFVTXEUJDIHSTH-LBPRGKRZSA-N 314.389 1.162 0 40 DDAB Cc1cc(C)n2nc(C(=O)N[C@@H]3CCN4CCCC[C@H]34)nc2n1 44943856 YIRKHCFELDBOEC-CHWSQXEVSA-N 314.393 1.098 0 40 DDAB CCCCN(C)S(=O)(=O)NCc1nnc2n1CCCCC2 48342146 APMRCTFWEGUPKJ-UHFFFAOYSA-N 315.443 1.071 0 40 DDAB Cn1c(Cl)cnc1CN1CCN(C(=O)c2ccoc2)CC1 45782571 OBLOAUMGXRNEOA-UHFFFAOYSA-N 308.769 1.625 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)C(C)C 29197475 RHSUNBHLIJUKTL-CQSZACIVSA-N 301.350 1.367 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 69518155 CDDQXVFYCVULLF-ZDUSSCGKSA-N 320.393 1.093 0 40 DDAB Cc1noc([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 38671043 WQAVQOADYISECY-JTQLQIEISA-N 301.302 1.670 0 40 DDAB CNCC1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 63159797 FZUVQJFHNKPQPZ-UHFFFAOYSA-N 300.399 1.754 0 40 DDAB NC(=O)[C@H](CNC(=O)Nc1ccncc1)Cc1ccc(F)cc1 69699124 WRRAHPASWZWDDN-LBPRGKRZSA-N 316.336 1.686 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cn1 69812535 MWOWSZSZJPKKEM-CYBMUJFWSA-N 321.446 1.954 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 4308780 MPRGGKQHJZRWGU-BLLLJJGKSA-N 309.410 1.649 0 40 DDAB CC(C)c1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 5263233 YRVQEWBXZVIDNT-UHFFFAOYSA-N 312.373 1.605 0 40 DDAB COc1ccc(OC)c(C(=O)N2CCN(CC(C)(C)O)CC2)c1 69926418 SSIZGGVOBCACAB-UHFFFAOYSA-N 322.405 1.233 0 40 DDAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(C(N)=O)cc1 6369914 YSXPJAIMKNAHOB-VIFPVBQESA-N 304.375 1.638 0 40 DDAB COc1cccc(-c2nnc(SCC(=O)NC3CC3)n2C)c1 14082726 RMDNGCNRCQBRCI-UHFFFAOYSA-N 318.402 1.861 0 40 DDAB CC(C)c1noc([C@H](C)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 65577517 FUSLTURQTIPXNA-IHRRRGAJSA-N 308.426 1.785 0 40 DDAB Nc1nc(CN2CCC(O)CC2)nc(Nc2ccc(F)cc2)n1 70743025 ANFVWRBOWYHNIQ-UHFFFAOYSA-N 318.356 1.293 0 40 DDAB Cc1ccc(-n2nnc(C(=O)Nc3nc[nH]n3)c2C2CC2)cc1 65623921 AQMQXGGIUZGHRA-UHFFFAOYSA-N 309.333 1.824 0 40 DDAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(C)=O 14240752 FENPTLJIXOOHDF-UHFFFAOYSA-N 305.334 1.309 0 40 DDAB Cn1c(=O)n(CC(=O)NCCc2ccccc2)c2ccccc21 14379025 GYQNIOMXVJQFBW-UHFFFAOYSA-N 309.369 1.699 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2N(C)C)C1 92843681 YAFBDORMTJRARY-CQSZACIVSA-N 311.451 1.266 0 40 DDAB CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ccco1 24050969 XBEKQOOXFYDNJA-UHFFFAOYSA-N 315.372 1.162 0 40 DDAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCCCC1 7780681 MFWNPBJOUDIPFL-UHFFFAOYSA-N 303.406 1.844 0 40 DDAB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 16187989 UXUIANPMLXHGEY-UHFFFAOYSA-N 308.359 1.217 0 40 DDAB COCCNC(=O)C[C@@H]1CC2(CCNCC2)Oc2ccccc21 306125429 CQOKBMKTZVKXKJ-CQSZACIVSA-N 318.417 1.828 0 40 DDAB COC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(OC)c2)CC1=O 8235054 RZFZKMLIELCBMC-RYUDHWBXSA-N 306.362 1.517 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1Br 19844361 PVZZRMYVFSLWKH-UHFFFAOYSA-N 308.153 1.398 0 40 DDAB in-vitro C[C@H]1CN(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)C[C@@H](C)O1 97212566 RRNFRWLRYJDDMV-PHIMTYICSA-N 316.427 1.404 0 40 DDAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(C2CC2)C(=O)C1 96450181 NOOXQYVQAZLPDN-HUUCEWRRSA-N 302.349 1.762 0 40 DDAB O=C1NCCN1[C@H]1CCCN(c2ncnc3sccc23)C1 71830526 OFYASXXPNFERSN-JTQLQIEISA-N 303.391 1.685 0 40 DDAB Cc1ccc(N2CCC[C@@H](NCC(=O)N(C)CC3CC3)C2)nn1 71859785 PCESHCFIPQDEFF-OAHLLOKOSA-N 317.437 1.212 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 71841995 ZEZOURYPUBOEIB-MRXNPFEDSA-N 320.352 1.829 0 40 DDAB NS(=O)(=O)CCCS(=O)(=O)c1ccc2ccccc2c1 71857357 LRVWUZMHOXGXIM-UHFFFAOYSA-N 313.400 1.292 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1ccncc1 72403656 WJHOWPRPFGLZEB-UHFFFAOYSA-N 306.325 1.944 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCC(F)(F)F)C[C@H]2C)CC1 84714505 NCIAJUWIKUGCQC-YPMHNXCESA-N 307.360 1.423 0 40 DDAB CCc1ccc(CNCCNc2cc(C)nc3ncnn23)o1 95415497 DHWROTPBBSLRTG-UHFFFAOYSA-N 300.366 1.790 0 40 DDAB O=C(NC[C@H]1C[C@]12CCc1ccccc12)NCC1(CO)CC1 88618596 FIMXVTZPEPQIKM-RDTXWAMCSA-N 300.402 1.962 0 40 DDAB Cc1n[nH]c([C@H](NC(=O)C(F)(F)C2(O)CCC2)C(C)C)n1 95978794 CHPHOODFCRBUPT-SECBINFHSA-N 302.325 1.477 0 40 DDAB CC(C)C[C@H](NC(=O)C1CC=CC1)C(=O)N1CCC(CO)CC1 95976435 MUPOSUOFKMGTIF-INIZCTEOSA-N 322.449 1.714 0 40 DDAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1nncn1C 75122044 HIXPDUJVWMDCPV-LLVKDONJSA-N 323.356 1.661 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)[nH]1 75124293 MCFRVVIWRVBDKQ-LBPRGKRZSA-N 311.341 1.219 0 40 DDAB CCNC(=O)N1CC[C@@H](NC(=O)N2CCc3ccccc3C2)C1 89977437 DLUMHDHVOMKCBT-OAHLLOKOSA-N 316.405 1.558 0 40 DDAB CN(CCCS(C)(=O)=O)C(=O)c1cccc(F)c1Cl 89915208 SLKCCUSEYYDWMS-UHFFFAOYSA-N 307.774 1.986 0 40 DDAB CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 111351657 GVJNIIMFWNQYOP-ZDUSSCGKSA-N 310.419 1.450 0 40 DDAB COCCn1cnnc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C 43464084 DZRHXHCREYHODK-RYUDHWBXSA-N 312.439 1.806 0 40 DDAB O=C(c1ccco1)N1CCC(n2nnc3ccccc3c2=O)CC1 72347160 QAXCBJDJRSOUQG-UHFFFAOYSA-N 324.340 1.862 0 40 DDAB CCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 217539999 ODNCUDOBOCCWCW-UHFFFAOYSA-N 324.358 1.888 0 40 DDAB CSC[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78122018 DLHFQDPKPOCSRI-DZGCQCFKSA-N 308.447 1.755 0 40 DDAB COCCN(CC(F)F)C(=O)N[C@@H]1CCN(C2CCCC2)C1 76984125 KKIQBGMRRGMARK-GFCCVEGCSA-N 319.396 1.926 0 40 DDAB CC[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1sccc1C 562295102 IEJRFMIOYBIKOG-UWVGGRQHSA-N 303.405 1.930 0 40 DDAB C[C@@]1(c2ccccc2)CCCN(C[C@H](O)CN2CCOCC2)C1 79100446 OVPUVNZWTXKMRH-RTBURBONSA-N 318.461 1.733 0 40 DDAB COCC(=O)NCCCNC(=O)c1nc2ccccc2s1 44892748 JODKATBIXSLLNT-UHFFFAOYSA-N 307.375 1.179 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21 74936301 PYUBDVRUVVXCIW-UHFFFAOYSA-N 310.375 1.216 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1 193880231 WVTSSKYNQMMQFC-NFAWXSAZSA-N 303.406 1.922 0 40 DDAB COc1ccccc1NC(=O)NCc1nccc(N(C)C)n1 224194062 CMASIXRHQBWAOR-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB NC(=O)C1CCN(C(=O)c2csc(-n3cccc3)n2)CC1 44448431 IJYFJZJMNQVVHL-UHFFFAOYSA-N 304.375 1.271 0 40 DDAB Cc1nnsc1C(=O)NCc1nn(C)c(=O)c2ccccc12 75148907 MJCFDRBNYUBVGS-UHFFFAOYSA-N 315.358 1.023 0 40 DDAB Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)n(C)n2)n(C)n1 46088989 YUEJINBCPHDWRM-UHFFFAOYSA-N 304.354 1.309 0 40 DDAB Cn1ncc2c(NC3CCN(C(=O)C4CC4)CC3)ncnc21 43537411 ICFVKAWWDFXALD-UHFFFAOYSA-N 300.366 1.176 0 40 DDAB C[C@@H]1CCn2ncc(C(=O)N=c3nc[nH]n3C(C)(C)C)c2C1 572245406 YEIXPPFKWMRHCQ-SNVBAGLBSA-N 302.382 1.486 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 40386736 QNBBLOIXSQRDQX-VIFPVBQESA-N 303.297 1.323 0 40 DDAB CN(C)c1cnnc(N2CCN(C(=O)C3CCCCC3)CC2)c1 224306923 PIBXPRSFZVPTJH-UHFFFAOYSA-N 317.437 1.772 0 40 DDAB C[C@@H]1CCN(CC2=Cc3ccccc3OC2)CCS1(=O)=O 192049171 IVFVUSRQELSWAD-CYBMUJFWSA-N 307.415 1.971 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)c1ccc(O)c(Cl)c1 96439635 FHYBPVUKZXVVJD-UHFFFAOYSA-N 324.686 1.796 0 40 DDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O 514288567 IFSHBJQKFVVGRM-HRCADAONSA-N 324.396 1.416 0 40 DDAB biogenic,in-vitro C[C@H]1c2ncc(Cn3cncn3)n2CCN1C1CCOCC1 96201289 MZLDPDORXRBAMB-LBPRGKRZSA-N 302.382 1.079 0 40 DDAB CC(C)(C)NC(=O)CCN1CCCN(C2CCOCC2)CC1 96415707 WCBBBBPXVVGYAG-UHFFFAOYSA-N 311.470 1.478 0 40 DDAB Cc1ncoc1C(=O)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107729 IFWSLUPVKPCKCM-CJNGLKHVSA-N 306.362 1.783 0 40 DDAB CCN1C(=O)[C@H](c2ccccc2)CC12CCN(CC(=O)O)CC2 96261153 QQLXWGWCCMXRFS-HNNXBMFYSA-N 316.401 1.942 0 40 DDAB O=S1(=O)N[C@@H]2CN(C3CCCC3)C[C@@H]2Oc2ccccc21 514290099 SAOBUDMJJLDHLV-OCCSQVGLSA-N 308.403 1.353 0 40 DDAB biogenic,in-vitro CC(C)CCNC(=O)COc1ccc(-c2nnn(C)n2)cc1 96232071 DXSOVLRKRDHILA-UHFFFAOYSA-N 303.366 1.418 0 40 DDAB CC(C)Cn1cnnc1[C@@H]1CCCN1CCN1CCOC1=O 96415748 ZQSBTGGRVLJWDT-ZDUSSCGKSA-N 307.398 1.523 0 40 DDAB CCc1nc(CC(=O)Nc2ncn(-c3ccccn3)n2)cs1 95457297 SCMQCSBCWBBEOH-UHFFFAOYSA-N 314.374 1.862 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@@H](N)c1ccc(Br)cc1 96525174 GIERIORZEVCWSX-MNOVXSKESA-N 322.224 1.245 0 40 DDAB Cc1cnc(N2CC[C@@]3(CC(=O)N(c4cccnc4)C3)C2)nc1 96239096 QAKHVHUEKVHTQH-QGZVFWFLSA-N 309.373 1.813 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)n(C)n2)cc1 245180727 ZHZPIIJYTKPOJH-UHFFFAOYSA-N 321.402 1.452 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 257320482 VXADIRPXXGBHSD-LLVKDONJSA-N 306.391 1.707 0 40 DDAB Cc1ocnc1C(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257315966 VDNSDSYDJGSUDH-UHFFFAOYSA-N 313.361 1.880 0 40 DDAB CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CC[S@@](=O)C1 252495527 OSBSYTCRRQSTRO-RCDICMHDSA-N 324.446 1.802 0 40 DDAB Cc1nc[nH]c1CN1CCC[C@@H]1c1cncc(CN(C)C)n1 257341603 ZLAOTFAMGZRSGX-MRXNPFEDSA-N 300.410 1.907 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2c(C)oc3c2CCCC3)CCO1 257317491 VJYCIJUWAFLBQI-QGZVFWFLSA-N 320.389 1.444 0 40 DDAB CN(C(=O)Cc1ccsc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257280949 ONBAYDXEXAAJCN-IIAWOOMASA-N 308.447 1.737 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 257246768 IVTQKIOPYFZJNQ-AWEZNQCLSA-N 313.405 1.987 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)Nc1cnn([C@H]2CCOC2)c1 96123181 XBHKSHGAUHKDJH-ZDUSSCGKSA-N 315.329 1.754 0 40 DDAB COC(=O)c1ccnc2c(I)c[nH]c12 725239154 DTQMRPNDLMOPCG-UHFFFAOYSA-N 302.071 1.954 0 40 DDAB CO[C@@]1(COc2ccc(F)cc2)CCCN(S(C)(=O)=O)C1 585274862 PTVYLNJLQYRXSX-AWEZNQCLSA-N 317.382 1.645 0 40 DDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cccnc2C)C1 585279453 ZJMQCJVIMUXFKP-INIZCTEOSA-N 305.378 1.277 0 40 DDAB COCCCNC(=O)COc1cccc(N2CCCC2=O)c1 44871905 FALKNPFLKJOMDC-UHFFFAOYSA-N 306.362 1.345 0 40 DDAB CCCc1ccc(C(=O)N2CCN(CC(=O)NC)CC2)cc1 63093192 MGOPJPXODGHUIL-UHFFFAOYSA-N 303.406 1.143 0 40 DDAB O=C(CCn1ccnn1)N1CCC[C@@H]1c1noc(C2CC2)n1 72299501 LYNVQXVJRXVBDG-LLVKDONJSA-N 302.338 1.292 0 40 DDAB COc1ccccc1C(=O)N1CCC2(CC1)CC(=O)N(C)O2 1549160735 BEOIVUBLRLXZIY-UHFFFAOYSA-N 304.346 1.464 0 40 DDAB CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CCC[C@]3(COC3=O)[C@@H]12 1772591721 MGKXQDVWRGLKTM-OQUILHJVSA-N 320.341 1.525 0 40 DDAB COc1cc(O)c2c(c1O)[C@]1(C)C(=O)CCC[C@]1(O)CC2=O 5460232 DIAIAAXIAGNHSL-HOTGVXAUSA-N 306.314 1.435 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 5830027 CLGZTQDXVYJPLL-CUFDPUGPSA-N 320.389 1.541 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2nccs2)c1 11615561 GUENAPRDVSNOHY-UHFFFAOYSA-N 300.361 1.961 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCCOC2)[nH]n1 12116839 RRQMDBBFMTUMRT-NSHDSACASA-N 303.366 1.336 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)N(C)[C@@H](CO)C(C)(C)C 155513905 YWEZOIWNNRIWFR-AWEZNQCLSA-N 306.406 1.590 0 40 DDAB CCC[C@H]1CCc2nc(NC(=O)[C@@H]3COCCN3)sc2C1 154280567 IZALWLNLJZTKIU-JQWIXIFHSA-N 309.435 1.975 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCc1nccc(N(C)C)n1 207978236 SJMMLDHZHJPTHU-LBPRGKRZSA-N 300.362 1.626 0 40 DDAB Cc1ccn(CCNC(=O)[C@]2(C)CC(c3ccccc3)=NO2)n1 12199020 ZVHAGFDNWNHHQV-KRWDZBQOSA-N 312.373 1.891 0 40 DDAB O=C1OCCN1[C@H]1CCN(c2ncc(Br)cn2)C1 853808543 HDIZVRJFKASIMA-VIFPVBQESA-N 313.155 1.270 0 40 DDAB Cc1cccnc1CN1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037981094 ULJILOWLNQVRJG-SFHVURJKSA-N 317.433 1.849 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1565553501 AYZPMKMLYUSJTG-HOCLYGCPSA-N 321.377 1.270 0 40 DDAB CC(=O)c1cc(C(=O)N2CC3(CCN(CC(C)C)C3)C2)n[nH]1 1565548586 FNVSPEYUPCIUQK-UHFFFAOYSA-N 304.394 1.416 0 40 DDAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)Cn3ccccc3=O)C1)CO2 2055793234 CUFKPGSGBXGVQV-LJQANCHMSA-N 324.380 1.719 0 40 DDAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)C2CC2)CC1 44226985 XSGIPKVAILUCGV-UHFFFAOYSA-N 315.420 1.286 0 40 DDAB Cc1csc(C(=O)NCCn2nnc3ccccc3c2=O)c1 225797538 XSTHQOQVYXOLIC-UHFFFAOYSA-N 314.370 1.591 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](C)OCCOCC)C1 50691935 JGYROTGKQLMYBM-KBPBESRZSA-N 314.426 1.193 0 40 DDAB CC(C)(C)Nc1nc(Cl)nc(NCCN2CCOCC2)n1 20029204 VLEYFASNNKNIEV-UHFFFAOYSA-N 314.821 1.480 0 40 DDAB O=C(CCc1ccco1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 40505329 ZWEWFNPOLAYXBO-GDBMZVCRSA-N 322.405 1.066 0 40 DDAB COc1cc(C)c([C@H](C)NC(=O)c2nccnc2N)cc1OC 40535589 NFKUEVXGKNFOGH-JTQLQIEISA-N 316.361 1.875 0 40 DDAB Cc1ccsc1C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 40505320 UQCOWWYRVOHQKW-KBPBESRZSA-N 324.446 1.524 0 40 DDAB COc1cccc2[nH]c(C(=O)NCCCN3CCOCC3)cc12 20546761 QPXLGESXAPRJJM-UHFFFAOYSA-N 317.389 1.629 0 40 DDAB O=C(NCc1ccco1)[C@H]1CC(=O)N(CCc2ccccc2)C1 220459 MDXJRRVXLAYWDZ-HNNXBMFYSA-N 312.369 1.987 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 8481991 HAMZBQKPPWMLFV-AWEZNQCLSA-N 311.288 1.624 0 40 DDAB Cc1nn(CC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1Br 2780203 WNYYJZBDILVNIB-ONGXEEELSA-N 316.199 1.638 0 40 DDAB N=C(N)c1cccc(CNS(=O)(=O)c2ccccc2F)c1 79800256 ZMRCSDFQUKZNRN-UHFFFAOYSA-N 307.350 1.588 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)NC1CCCC1 425465 DSVJMLCBOBZRIZ-UHFFFAOYSA-N 300.362 1.631 0 40 DDAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C 416208 UTXALKYVKLISSO-UHFFFAOYSA-N 305.403 1.894 0 40 DDAB CN(C)N1C(=O)C[C@]2(c3ccccc3)C(=O)c3ccccc3[C@]12O 6490388 FMTGCPDYSAPBRS-RBUKOAKNSA-N 322.364 1.675 0 40 DDAB CC1(C)S[C@@H](CNC(=O)COc2ccccc2)N[C@@H]1C(=O)O 6755023 NABJOXIJXQOSPN-QWHCGFSZSA-N 324.402 1.076 0 40 DDAB in-vitro Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccccc1 7736617 HIAOYUYKMCYSAE-UHFFFAOYSA-N 320.370 1.790 0 40 DDAB CC[C@@H](CO)NC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12391133 PFBUXCOLEYIQMU-NSHDSACASA-N 300.318 1.719 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1 37462517 AKESAKJUKMTKNA-JTQLQIEISA-N 301.339 1.619 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(O)nn2)c1 22764705 VQXJJDZVTJIMDG-SECBINFHSA-N 303.318 1.690 0 40 DDAB Cc1noc(C2CCN(C(=O)c3cccnc3N(C)C)CC2)n1 54664791 JCBBEUFITLTTQZ-UHFFFAOYSA-N 315.377 1.859 0 40 DDAB CCOC(=O)c1ccc(NC(=O)CN2CCO[C@H](C)C2)cc1 24014524 QYASZWVZZPPSBF-GFCCVEGCSA-N 306.362 1.523 0 40 DDAB O=C(NCc1ccco1)N[C@H]1CCCc2c1cnn2CCO 42839886 WBLVGQUUMDXWFY-ZDUSSCGKSA-N 304.350 1.345 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C(N)=O)c1cccs1 43095370 LYTBDMPPPFTFAX-QWRGUYRKSA-N 310.423 1.010 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccn(COc2ccc(F)cc2)n1 28230476 RKJMQXRHCPQVPD-CQSZACIVSA-N 319.336 1.968 0 40 DDAB CC(C)CCn1c(=O)n([C@H](C)C(N)=O)c2cc(C(=O)O)ccc21 55244196 UYGOGVJOEKAOEK-SNVBAGLBSA-N 319.361 1.594 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)Nc1ncnn12 106937101 MBAXUZJWFOBYFO-YWPYICTPSA-N 300.318 1.581 0 40 DDAB CS(=O)(=O)N1CCCN(c2ncnc3ccsc23)CC1 25454655 JQONFIXFKMYDHZ-UHFFFAOYSA-N 312.420 1.163 0 40 DDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCC[C@H]21 56193811 FAIRUKOBKBQTAQ-GDBMZVCRSA-N 313.357 1.176 0 40 DDAB COC(=O)CNC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56490602 VOALFZGRCRBWQM-HNNXBMFYSA-N 320.345 1.381 0 40 DDAB Cc1cc(=O)n2nc(NC(=O)c3ccccc3Cl)nc2[nH]1 101011649 LZNQNQOKHHYDIB-UHFFFAOYSA-N 303.709 1.632 0 40 DDAB C[C@H](NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 108371043 KERQVAZAWJABMB-BHYGNILZSA-N 305.422 1.470 0 40 DDAB COc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 3364265 PHXSKHAJDQXLNL-UHFFFAOYSA-N 310.313 1.439 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 27793817 UPXRHPYHCRZMIK-PWSUYJOCSA-N 315.366 1.286 0 40 DDAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)no1 44916589 NDLFHBOHRJZDCB-SECBINFHSA-N 319.283 1.352 0 40 DDAB COc1ncccc1C(=O)N1CCN(c2nccs2)CC1 44907688 AVLNLPBJDUOSKX-UHFFFAOYSA-N 304.375 1.509 0 40 DDAB C[C@@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)C[C@@H](C)O1 44968362 VWRFTNFFBFDHBN-CHWSQXEVSA-N 319.409 1.264 0 40 DDAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccsc1 44919662 IAUBXXGXHQCCRU-DGCLKSJQSA-N 324.450 1.258 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ncc(Cl)n1C 44910539 CXVWOQMDYKAWQU-CYBMUJFWSA-N 318.808 1.746 0 40 DDAB CCN(CC)C(=O)CCNC(=O)c1ccc(N(CC)CC)nc1 58344242 YNPNHHUCCODXKS-UHFFFAOYSA-N 320.437 1.916 0 40 DDAB CC(C)OC(=O)CCNC(=O)c1cn(C)nc1-c1cccnc1 58401355 YFVAARHENCXGKA-UHFFFAOYSA-N 316.361 1.554 0 40 DDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2F)CC1 36389798 SCGWPSUPWDTGSC-UHFFFAOYSA-N 323.368 1.847 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2cccnc2OC)cc1 48326515 PCIWSPRWEVQGET-UHFFFAOYSA-N 322.342 1.678 0 40 DDAB C[C@@H](CNS(=O)(=O)N1CCCCC1)N1CCC[C@@H](C)C1 45744879 LZKLYDWDGLULSD-KGLIPLIRSA-N 303.472 1.427 0 40 DDAB CCNC(=O)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1 3439636 QEDKKAVVFBZZPH-CQSZACIVSA-N 307.346 1.537 0 40 DDAB NC(=O)C1CCC(N[C@H]2CS(=O)(=O)c3ccccc32)CC1 38091762 KZEJGLBDTCYUDE-XIVSLSHWSA-N 308.403 1.149 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCCCS(=O)(=O)N(C)C)c1 69776710 NDVIINWQCJRMGM-STQMWFEESA-N 302.444 1.012 0 40 DDAB Cn1cc(CNCCNc2ncccn2)c(-c2ccncc2)n1 97160039 GYANUKZVENTBOV-UHFFFAOYSA-N 309.377 1.474 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(F)cc1 13007224 INNGOMZRYQZEQB-UHFFFAOYSA-N 310.369 1.968 0 40 DDAB CC(C)c1nnc2n1CCN(Cc1cc(=O)n3ccccc3n1)C2 69817767 HHQHRWZCAXTDFL-UHFFFAOYSA-N 324.388 1.425 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 69901562 UMFMQXQEORFMSY-HZPDHXFCSA-N 318.421 1.674 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1nc3ccccc3s1)CC2 72302320 UCNBMNNKZOIFHT-UHFFFAOYSA-N 312.398 1.948 0 40 DDAB Cc1ccsc1CN(C)C(=O)Nc1cnn(CC(N)=O)c1 65423094 VGZKUBHWNMPRGL-UHFFFAOYSA-N 307.379 1.402 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H](C)O1 65499951 CKQZXVSBEIXKBK-KBPBESRZSA-N 304.390 1.773 0 40 DDAB CN(C)CCNC(=O)CCN1C(=O)CSc2ccccc21 4462337 NLNQNVRXZOCNJS-UHFFFAOYSA-N 307.419 1.193 0 40 DDAB COCCOc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 92703467 YSNXYGJOVKBMSC-SJORKVTESA-N 318.417 1.955 0 40 DDAB Cc1noc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)n1 65540937 UMYJCWJBTRSXLP-AWEZNQCLSA-N 304.281 1.484 0 40 DDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 14136473 NYNHKJOLGHTPGP-HNNXBMFYSA-N 305.334 1.105 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC1 14187413 MLMPNOMTLXZRAO-AUECHBEKSA-N 322.430 1.880 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)Cn1c(C2CC2)nc2ccccc21 65610345 WBEIPFKGNIYMIW-LLVKDONJSA-N 314.389 1.555 0 40 DDAB Cn1cccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 4564209 NTSXUXDBZHDLKV-UHFFFAOYSA-N 316.313 1.592 0 40 DDAB CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(N)n2)c1 5472656 UZHQLURHTAECLA-UHFFFAOYSA-N 306.351 1.076 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)cc1 4704175 HGZIXRNJKWWOIC-LBPRGKRZSA-N 319.386 1.728 0 40 DDAB Cn1cccc1C(=O)NC(=O)COC(=O)Cc1ccc(F)cc1 5633114 GGRSYSOHBMSBHY-UHFFFAOYSA-N 318.304 1.207 0 40 DDAB Cn1c(CNC(=O)C[C@@H]2OCCc3ccsc32)n[nH]c1=S 66625690 JAXLCCSZCUORAB-VIFPVBQESA-N 324.431 1.859 0 40 DDAB Cc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1O 4923091 WPPQFIYEYMZZHH-UHFFFAOYSA-N 313.309 1.814 0 40 DDAB O=C(COC(=O)CCC(=O)c1cccs1)NCC(F)(F)F 7238777 MXZXANZGWHVJBX-UHFFFAOYSA-N 323.292 1.933 0 40 DDAB COc1ccccc1CC(=O)Nc1cccc(-n2cnnn2)c1 7646187 GLCWZJWFEGLPSJ-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1cncc(Br)c1 7627061 LNAMXOANNYDSNB-QMMMGPOBSA-N 314.183 1.489 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccnc1 8190911 JWYHRFDVPKHXPC-CQSZACIVSA-N 301.346 1.745 0 40 DDAB COc1cc(F)c(NCC(=O)NCC(F)(F)F)cc1OC 70040260 VVEGEKJJEFWINQ-UHFFFAOYSA-N 310.247 1.933 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@H](O)[C@H](O)C1 72311962 DYTNMHPWVHSDTP-KPXOXKRLSA-N 318.295 1.070 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)ccc2F)CC1 71882013 HYBPNAABCJBNJX-CQSZACIVSA-N 324.396 1.289 0 40 DDAB Cc1cccc2[nH]cc(CC(=O)N3CCn4c(C)nnc4C3)c12 71864833 JCAHTFNRJKYTOL-UHFFFAOYSA-N 309.373 1.961 0 40 DDAB Cc1cc(NC(=O)CCN2CCCC[C@H]2Cn2cncn2)no1 71876195 BCXPUBKBNUVPNK-ZDUSSCGKSA-N 318.381 1.458 0 40 DDAB COCCn1nc(C(=O)N(C2CC2)[C@@H](C)C(C)C)ccc1=O 71844021 TVNXYEJCXAMLFZ-LBPRGKRZSA-N 307.394 1.539 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@H](O)Cc2ccccc2)s1 71856891 YSEAKIINFPLFMQ-GFCCVEGCSA-N 319.382 1.868 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(c3nccs3)CC2)cn1 71830459 WKAQPFCMWRDXTI-CHWSQXEVSA-N 317.418 1.329 0 40 DDAB CN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 19910897 NLALUFJVBQSALB-UHFFFAOYSA-N 318.446 1.611 0 40 DDAB CC(C)(C)c1nnnn1C[C@H](O)COCc1ccccc1F 84325440 VMJGVAQWOLTRDG-LBPRGKRZSA-N 308.357 1.687 0 40 DDAB CC(C)(C)c1noc(CN2CCn3c(nnc3C3CC3)C2)n1 84325129 PKGODKJPKAXIHP-UHFFFAOYSA-N 302.382 1.852 0 40 DDAB O=C1CN(NC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1 97022088 RFJGQWTXVBANTE-UHFFFAOYSA-N 302.212 1.294 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cccnc2)C1 72277747 XYTZTEFBQUVQQL-ZDUSSCGKSA-N 320.393 1.890 0 40 DDAB CN1CCN(C2CCN(c3cnc4ccccc4n3)CC2)C1=O 72276411 KEZWYGVAEDCTIP-UHFFFAOYSA-N 311.389 1.966 0 40 DDAB O=C1NCCN(C(=O)C2CC2)[C@@H]1c1ccccc1Br 95453531 SJLVQAMGZJEUNW-GFCCVEGCSA-N 323.190 1.859 0 40 DDAB COc1ccnc(N[C@H](Cc2ccccc2)C(=O)N(C)C)n1 95975496 CHUZOXDRPZVOLT-CYBMUJFWSA-N 300.362 1.597 0 40 DDAB COCCc1nsc(N[C@@H]2CC(=O)N(c3ccccc3)C2)n1 95964116 WLAGJWXMKHSWNO-LLVKDONJSA-N 318.402 1.944 0 40 DDAB Cc1cc(NC(=O)CCn2c(-c3cccs3)noc2=O)no1 95990841 PAHMLOYCWQCNBN-UHFFFAOYSA-N 320.330 1.890 0 40 DDAB COc1cc(CNC(=O)N2CCN3CCCC[C@H]3C2)ccn1 89429357 MTJVZWLBPUOVCU-AWEZNQCLSA-N 304.394 1.470 0 40 DDAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)Cc1ccco1 89407010 RPKNDDRXABVVMM-UHFFFAOYSA-N 323.326 1.114 0 40 DDAB Cc1cc(C)c(CNC(=O)c2c[nH]nc2-c2ccncc2)c(=O)[nH]1 89568560 VBBYKMQDUMUUQQ-UHFFFAOYSA-N 323.356 1.707 0 40 DDAB COCCNC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 89893873 MKBHRWDGOBKIJW-SNAWJCMRSA-N 304.350 1.081 0 40 DDAB O=C(CN1CC[C@H](Oc2ccncc2)C1)NC1CCCCC1 89884981 CVRVBIULBJUUAU-INIZCTEOSA-N 303.406 1.984 0 40 DDAB O=C1CC2(CS(=O)(=O)C2)Oc2cc(Br)ccc21 306145825 RQWPJVOKMQKDCD-UHFFFAOYSA-N 317.160 1.582 0 40 DDAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(C)=O)C1 32748049 OGZVUKDHAXJRKV-OAHLLOKOSA-N 304.390 1.612 0 40 DDAB O=C(NC1CC1)c1cc(-n2cnnc2)ccc1Br 35684172 BCBQGFGMBRIVOM-UHFFFAOYSA-N 307.151 1.922 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCC1(C(=O)N(C)C)CCCC1 79098439 ZHZHAJHGLBVDHT-ZDUSSCGKSA-N 321.425 1.219 0 40 DDAB O=C(CC1CCCC1)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 530465120 OGTWZGZPXZBROA-LSDHHAIUSA-N 306.410 1.951 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1cccnc1 36675793 UFXGNUDFPBUOFF-UHFFFAOYSA-N 302.359 1.384 0 40 DDAB C[C@@H](C(=O)NCCc1ccccn1)N1Cc2ccccc2C1=O 79488552 NTACAFJHZBNLAX-ZDUSSCGKSA-N 309.369 1.785 0 40 DDAB Cc1csc(Nc2cc(C3CN(CC(N)=O)C3)nc(C)n2)n1 72383093 QFIPJZWPWJZQNV-UHFFFAOYSA-N 318.406 1.178 0 40 DDAB Cc1cn(CC(=O)OCCNS(C)(=O)=O)c2ccccc12 78527326 NJZOZYZREQMHCE-UHFFFAOYSA-N 310.375 1.042 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1sccc1Br 215761657 DMHBQCNFXPDMBW-JGVFFNPUSA-N 305.197 1.227 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218447760 HSKRTJBWZWQIEF-IHRRRGAJSA-N 317.838 1.832 0 40 DDAB CO[C@@H]1CCC[C@@H]1OC(=O)CCS(=O)(=O)C1CCCC1 78985704 ZZBXXVVYTMKDOG-OLZOCXBDSA-N 304.408 1.845 0 40 DDAB CC1(C)CC[C@@H](C(=O)N2CCC(O)(Cc3ccncc3)CC2)O1 566916930 FTJTULRGLXPEPZ-HNNXBMFYSA-N 318.417 1.935 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)[C@H]2COc3ccccc3O2)o1 49026792 RNKNNFGYVKSDRU-IAQYHMDHSA-N 303.314 1.578 0 40 DDAB Cc1c(CCC(=O)N2CC3(CCNCC3)C[C@@H]2C)cnn1C 567982865 WYXPTKBQRUHHFB-ZDUSSCGKSA-N 304.438 1.652 0 40 DDAB C[C@]1(C(=O)NCCn2cccn2)Sc2ccccc2NC1=O 40774303 AEPKUKIJVXJKOZ-OAHLLOKOSA-N 316.386 1.502 0 40 DDAB CCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1 226753800 JXIFHXXGRKPHIW-UHFFFAOYSA-N 302.353 1.789 0 40 DDAB O=C(c1ccncc1)N1CCN(C[C@H](O)c2cccs2)CC1 49031403 JZVWOESPYOJYQE-AWEZNQCLSA-N 317.414 1.635 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1c2ccccc2CC[C@H]1CO 225390750 AGIJWTBWJDPQEN-KSSFIOAISA-N 313.401 1.981 0 40 DDAB CCn1cc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)cn1 96445478 IBYNMRHAWMODRF-SZNDQCEHSA-N 305.403 1.753 0 40 DDAB CN(CC(=O)Nc1ccc(CC(F)(F)F)cc1)S(C)(=O)=O 96423057 DWUNLIWHWHWIAY-UHFFFAOYSA-N 324.324 1.621 0 40 DDAB O=C(Nc1ncccn1)C1CCN([C@@H]2CCCC[C@@H]2O)CC1 96485531 DVAAAVGSZRURDL-KGLIPLIRSA-N 304.394 1.431 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)c1cccs1 96296102 LWVLDTIPAXVRJG-BZPMIXESSA-N 310.419 1.138 0 40 DDAB biogenic,in-vitro O=C(NCc1nccs1)[C@@H]1CN(Cc2ccccc2)CCO1 96420673 UAUYJKWLDHZJKV-AWEZNQCLSA-N 317.414 1.660 0 40 DDAB C[C@@H](CNS(C)(=O)=O)Oc1ccccc1Br 96452757 NEQSPAVLCOQJLG-QMMMGPOBSA-N 308.197 1.766 0 40 DDAB C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)N1CCSCC1 96487011 MSIQFKVRFVWUFM-JTQLQIEISA-N 320.422 1.186 0 40 DDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)CC3CC3)C2)C1 96209902 CIZCMPDBQCYCMJ-FUHWJXTLSA-N 306.450 1.993 0 40 DDAB Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)CN)n1 257281428 OPDSWEONOMDULK-AWEZNQCLSA-N 315.377 1.679 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2Cl)[C@H]1O 257208053 BKMDXVMEURGDSS-UXIGCNINSA-N 313.781 1.763 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccnn2C)C[C@H]1c1ccccc1 257261401 LHDCFHCIDAFMGC-INIZCTEOSA-N 312.373 1.466 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncs3)n2)C1 257321166 WAJPABJIDJPFQD-JTQLQIEISA-N 324.431 1.739 0 40 DDAB CC(=O)N1[C@H]2CCN(Cc3cccnc3)C[C@@H]2C[C@]1(C)CO 257307770 TUBCFFXKEGCQRG-YESZJQIVSA-N 303.406 1.275 0 40 DDAB Cc1ocnc1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257257511 KPYAYWDXJNNGQQ-NSHDSACASA-N 317.349 1.053 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2ccsc2)n1 257201105 AGHZALKARMBVOO-GFCCVEGCSA-N 305.359 1.766 0 40 DDAB O=C(c1ccsc1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122044 OJUSSGOEJSCHGV-UHFFFAOYSA-N 311.384 1.781 0 40 DDAB C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccn(C)c(=O)c1 494742366 MUQGGLHISVZWGL-NSHDSACASA-N 323.393 1.418 0 40 DDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)c2cnco2)C1 585269355 QHYWSSZFGURXGB-INIZCTEOSA-N 302.330 1.985 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 56097735 FTTRONTXHUJQDX-UWVGGRQHSA-N 300.362 1.670 0 40 DDAB NC(=O)[C@@H](Sc1nnnn1CC(F)(F)F)c1ccccc1 58298320 ZGZMXLFPAAXGTK-QMMMGPOBSA-N 317.296 1.554 0 40 DDAB Cc1cc(S(=O)(=O)NCC2CCN(C)CC2)ccc1F 22999751 AZWKMZRCQZEZNH-UHFFFAOYSA-N 300.399 1.754 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCCn1ccnc1 5265423 GLBVKHNHXBXQJA-CQSZACIVSA-N 318.377 1.437 0 40 DDAB Cc1cc2c(cc3c(=O)n(CC(=O)NC(C)C)nc(C)n32)s1 12115349 FVEYTPHVIGMXJP-UHFFFAOYSA-N 318.402 1.852 0 40 DDAB COc1ccccc1C(=O)Nc1cnc2scnn2c1=O 13999790 ARGFATOSXUWOMN-UHFFFAOYSA-N 302.315 1.412 0 40 DDAB CNc1cc(CC2CCN(C(=O)CCOC)CC2)nc(C)n1 19758583 WXOFWXWSUQWLFV-UHFFFAOYSA-N 306.410 1.644 0 40 DDAB COc1ccc(N2C[C@H](NC(=O)NCC(C)C)CC2=O)cc1 4479560 MYRUNTOKSHTADN-GFCCVEGCSA-N 305.378 1.756 0 40 DDAB CCCS(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 9036894 QTTVMCLJJPLYQP-ZDUSSCGKSA-N 310.419 1.677 0 40 DDAB Cc1ncnc(N2CCN(c3ccc(N(C)C)nn3)CC2)c1C 1889078027 QJWPEPHPRXKLSN-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB CCN(CC)S(=O)(=O)N(C)Cc1ccc(OC)c(OC)c1 29079473 HHVLNVWLWODZCQ-UHFFFAOYSA-N 316.423 1.722 0 40 DDAB O=C(Cc1ccc(F)cc1)NCC1(O)CSCCSC1 1888960572 GFIPMRHLTUQAJI-UHFFFAOYSA-N 315.435 1.696 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCc1cc(-c2cccnc2)nn1C 240104254 UNKGQVNXBGAXBA-UHFFFAOYSA-N 324.388 1.762 0 40 DDAB COc1cccc(C(=O)N2CC[C@]3(COCC(=O)N(C)C3)C2)c1 2037985393 IJLVWZCSHPIAJI-QGZVFWFLSA-N 318.373 1.016 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1c(F)cccc1Br 1548448029 GWEKTKPJRTXEEP-VHSXEESVSA-N 317.158 1.305 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2c3cnc(N4CCCC4)nc3C[C@H]2C1 1565544364 JDDTXJDWEUCPKB-AAEUAGOBSA-N 324.388 1.212 0 40 DDAB CC1CC(C(=O)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)C1 1565548979 KJFNCLIVZXJHMS-SVXVCFNTSA-N 320.433 1.518 0 40 DDAB CCOC(=O)Cn1nc(C)c(NC(=O)c2cnccn2)c1C 4694778 AKADZFLLVUXCMB-UHFFFAOYSA-N 303.322 1.105 0 40 DDAB CC(=O)N(CCN(C)C)c1nc2cc3c(cc2s1)OCCO3 5121467 QOTAIGZDTURIDK-UHFFFAOYSA-N 321.402 1.982 0 40 DDAB O=C1C[C@H](n2nnnc2-c2ccccc2Cl)[C@H]2CO[C@@H]1O2 6659611 ZILWLYWWNDPPOD-UFGOTCBOSA-N 306.709 1.249 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 13465161 WPHIOHOVBVPDFR-PHIMTYICSA-N 315.391 1.502 0 40 DDAB Cc1nc2c(=O)n(CC(N)=O)nc(-c3cccs3)c2s1 8955973 DZRBBKFPESSCLW-UHFFFAOYSA-N 306.372 1.375 0 40 DDAB COC(=O)[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 5163432 DSVCCEHVAPGBSG-ZDUSSCGKSA-N 319.405 1.512 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)c2cc3ccccc3o2)CC1 10418080 ASLPNCLRVDMCJU-UHFFFAOYSA-N 322.386 1.587 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)c2cccs2)CC1 40105449 CSDVNVLJSJVDKH-UHFFFAOYSA-N 302.421 1.292 0 40 DDAB CCN(CC)C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 40528245 UNLPQBFLVWKGAK-UHFFFAOYSA-N 323.441 1.947 0 40 DDAB Cc1nc(C)c(CC(=O)NCc2ccc(Cl)s2)c(=O)[nH]1 40520812 LXVDZRHBGFJPCB-UHFFFAOYSA-N 311.794 1.961 0 40 DDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C(C)C 20502763 YTSUEUGJBIUHRK-UHFFFAOYSA-N 322.413 1.170 0 40 DDAB CNC(=O)CN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 46455596 BNNCWKPLJOCFAZ-UHFFFAOYSA-N 306.753 1.548 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1nccn1C 76042811 UGOIEJYFHYKSQB-CZUORRHYSA-N 303.410 1.638 0 40 DDAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@@H]21 102597676 XMLLJWLJLCSFBK-MHWZDGSBSA-N 314.341 1.902 0 40 DDAB C[C@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1ccccn1 2402342 ZFVOVNIIJDQTRE-KWQFWETISA-N 300.430 1.475 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 3906539 OQFZTIKWMRRYSB-XQHKEYJVSA-N 317.297 1.066 0 40 DDAB CN(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4030133 AMIHHHFIWGMKSA-RQJABVFESA-N 302.330 1.345 0 40 DDAB COc1ccnc(N[C@H](CN2CCOCC2)c2ccccc2)n1 52722317 COJKMYUUNBDBGC-OAHLLOKOSA-N 314.389 1.971 0 40 DDAB COc1cccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1 4314619 YVBYTWZFWBMKIW-UHFFFAOYSA-N 305.359 1.818 0 40 DDAB COC(=O)c1cc(CN(C)C(=O)c2ccc(O)nn2)oc1C 21903786 KEWOXPQJPVQYLM-UHFFFAOYSA-N 305.290 1.142 0 40 DDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6948906 FSIUBFYCDRISHM-JTQLQIEISA-N 318.826 1.875 0 40 DDAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnnn2)cc1 52987816 UWOAMNHUYFUXDJ-OAHLLOKOSA-N 315.377 1.826 0 40 DDAB O=C(NCCCn1cncn1)[C@@H]1COc2ccc(Cl)cc2C1 41862796 YYFUBFTXAHJRJA-LBPRGKRZSA-N 320.780 1.689 0 40 DDAB CCn1ccnc(N2CCOCC2)/c1=N/c1ccc(OC)cc1 103846355 BGPZQGBDXPIDEZ-ZPHPHTNESA-N 314.389 1.981 0 40 DDAB CSc1ccc(-c2nnnn2[C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)cc1 101087949 RUFAIAXJOQYVIR-SCDSUCTJSA-N 318.358 1.317 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1C 9288422 ZWQNXDKZYOCXLC-VXGBXAGGSA-N 322.386 1.317 0 40 DDAB CCCCN1C(=O)N[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C1=O 12419998 TYDDUSOJKKOTPJ-LBPRGKRZSA-N 323.315 1.759 0 40 DDAB Cc1c([C@@H](C)NC(=O)NC[C@@H](c2ccco2)N(C)C)cnn1C 47792567 YPCUMJQZQPMLGK-RISCZKNCSA-N 319.409 1.985 0 40 DDAB Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)c(C)s1 55786096 KGGNTRQCUDUANO-UHFFFAOYSA-N 307.419 1.995 0 40 DDAB COC[C@@H](C)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 25381464 RGRGLSQAVNNIJU-SECBINFHSA-N 323.418 1.616 0 40 DDAB CC(C)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)c(O)c1 57011539 CTBQBAPLULHPBS-UHFFFAOYSA-N 318.295 1.924 0 40 DDAB Cc1ccccc1CS(=O)(=O)Nc1ccc2nncn2c1 97140420 QEMUEGILYAQCAE-UHFFFAOYSA-N 302.359 1.980 0 40 DDAB CNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 27056652 CHRGYSFUNJDKTE-QWHCGFSZSA-N 316.357 1.960 0 40 DDAB O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(F)cc1Cl 44502484 FOTSDIHBNZCXFH-SECBINFHSA-N 306.790 1.757 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCC[C@H]1c1cccs1 58202987 CUTXXHLOZNFHPX-NSHDSACASA-N 306.387 1.951 0 40 DDAB CN1CCN(c2ncccc2CNC(=O)c2ccccc2)CC1 58343474 BHQIIYPMPNQXQT-UHFFFAOYSA-N 310.401 1.763 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1cccc(C)c1)C(=O)O 36293802 HONSGGYAQAWECA-NSHDSACASA-N 303.405 1.480 0 40 DDAB Cc1noc(CCCC(=O)N2CCC[C@H](c3nncn3C)C2)n1 48260682 DIYKYFDHNKODBJ-LBPRGKRZSA-N 318.381 1.235 0 40 DDAB COc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cn1 36694981 BZHUFKVBCKUWPU-QMTHXVAHSA-N 307.375 1.483 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CSc1ncccc1Cl 12780389 FSWBCRVQXSDZIC-UHFFFAOYSA-N 313.810 1.564 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1c(F)cccc1F 12797080 FSTADGRAQKSYPV-UHFFFAOYSA-N 323.343 1.458 0 40 DDAB O=C1OCC[C@@H]1Sc1nnc([C@@H]2COc3ccccc3O2)o1 48342907 RQOPAYWTRUORDR-QWRGUYRKSA-N 320.326 1.990 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 12909928 NOJKPKWUUMRHGO-AEGPPILISA-N 324.380 1.915 0 40 DDAB COCCN1CCN(Cc2csc(-c3ncccn3)n2)CC1 48685685 LFBOCVAKABDESI-UHFFFAOYSA-N 319.434 1.364 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1nnc(C(C)(C)C)o1)CC2 69927913 WLSYWTQSLKSMPF-SNVBAGLBSA-N 304.398 1.626 0 40 DDAB CN(C)C[C@H]1CN(CC(=O)NCCC2=CCCCC2)CCO1 69951247 KLCCZZVYDSAXFJ-INIZCTEOSA-N 309.454 1.256 0 40 DDAB CN(Cc1cc(O)ccc1Br)Cc1ncnn1C 93810935 CPGGTDYDWACKMY-UHFFFAOYSA-N 311.183 1.915 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@H](N2CCCC2)C1 65418968 UWSJWMRCIDKUTB-LSDHHAIUSA-N 305.426 1.541 0 40 DDAB COCC(=O)Nc1ccc(NC(=O)NC2CCC(O)CC2)cc1 65536051 VCWXMSHMRALHNT-UHFFFAOYSA-N 321.377 1.697 0 40 DDAB CC(C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 14182881 VZHMXHCIAPMOQD-UHFFFAOYSA-N 303.362 1.068 0 40 DDAB COc1ncccc1NC(=O)N1CCC(C(=O)NC(C)C)CC1 65620617 BVMMAUHYTQFHGX-UHFFFAOYSA-N 320.393 1.859 0 40 DDAB Cc1ccc(-c2nc(CN3CCN(CCO)CC3)cs2)o1 65621889 UCZPUEZCZYUTGV-UHFFFAOYSA-N 307.419 1.821 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NC2CCN(C3CC3)CC2)c1C 14528198 UVNXCSBYXSLTPQ-UHFFFAOYSA-N 319.405 1.775 0 40 DDAB CO[C@H](C(=O)Nc1cnn(CC(=O)N(C)C)c1)c1ccccc1 66383497 IAPHYVYGXVTLAQ-HNNXBMFYSA-N 316.361 1.298 0 40 DDAB COC(=O)CNC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 6734863 FQTYMFYVYIGREF-UHFFFAOYSA-N 309.362 1.035 0 40 DDAB C[C@H](Sc1ncn[nH]1)C(=O)NCc1ccc2c(c1)OCO2 5737007 SNLXTFZESANVNP-QMMMGPOBSA-N 306.347 1.330 0 40 DDAB CC(=O)c1ccc(NC(=O)c2cnn3c(=O)cc(C)[nH]c23)cc1 67225459 BMIIMMCDUSXFDU-UHFFFAOYSA-N 310.313 1.786 0 40 DDAB Cc1cc2c(N)nc(=O)n(CC(=O)NCc3ccco3)c2s1 71283779 RLJVVEQRPNSMAR-UHFFFAOYSA-N 318.358 1.258 0 40 DDAB Cc1cnc([C@@H](C)CNC(=O)NCCc2cnn(C)c2)s1 96013788 UCQNBAZFVUNIPU-JTQLQIEISA-N 307.423 1.830 0 40 DDAB Cc1ccc(CN(C)C(=O)CN[C@@H](C)[C@@H](C)n2cccn2)o1 70040838 UNGZLVATBBVKTB-UONOGXRCSA-N 304.394 1.982 0 40 DDAB C[C@@H](NCC(=O)NCCc1cccs1)[C@@H](C)n1cccn1 70003973 BONZODNDWZBYTI-CHWSQXEVSA-N 306.435 1.843 0 40 DDAB COc1cc2nc(C)sc2cc1NC(=O)[C@H](C)NC(N)=O 69462082 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CC[C@H](C(=O)N[C@@H](C)CC(=O)c1ccco1)N1CCCC1=O 95413759 ZALUKJVCDNYVCP-NWDGAFQWSA-N 306.362 1.758 0 40 DDAB COC(=O)[C@@]1(F)CCN(C(=O)NCc2ccc(C)s2)C1 74848501 DKZLNANRALAJPM-CYBMUJFWSA-N 300.355 1.853 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1ccccc1 89512374 NCCGHVIHCCGXQB-HNNXBMFYSA-N 323.418 1.223 0 40 DDAB COC(=O)[C@H]1CCCCN1C(=O)COCCOc1ccccc1 75105514 IAJHJYGJBZCHMM-OAHLLOKOSA-N 321.373 1.636 0 40 DDAB CC(=O)c1cn(CCOc2ccc(Cl)cc2)c(=O)n(C)c1=O 75110737 HZEZNIBYGWUFAZ-UHFFFAOYSA-N 322.748 1.482 0 40 DDAB NC(=O)CNC1(c2cccc(Br)c2)CCOCC1 89774395 UNUINOYEJXFHOW-UHFFFAOYSA-N 313.195 1.530 0 40 DDAB O=C(CN1CCC[C@@H]1c1nnc2n1CCCCC2)NC1CC1 89819281 KJMITIKZRPKLDR-CYBMUJFWSA-N 303.410 1.420 0 40 DDAB COc1ccccc1C1(CNC(=O)N2CCNC(=O)[C@H]2C)CC1 75606901 BXLQYFFZVGDBEA-GFCCVEGCSA-N 317.389 1.257 0 40 DDAB O=C(CCn1cc(Br)cn1)NCc1cccnc1 27938960 GKPCTSVEOZVQDT-UHFFFAOYSA-N 309.167 1.747 0 40 DDAB Cn1cnc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)c1 69112755 RQSNRNHICOYTMS-UHFFFAOYSA-N 309.366 1.569 0 40 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Cc1occc(=O)c1OCC(=O)Nc1ccc(C(N)=O)cc1 40267839 WJQFPZBEJIZCBF-UHFFFAOYSA-N 302.286 1.065 0 40 DDAB CN(C)c1noc(CN2CC[C@@H](Oc3cccc(F)c3)C2)n1 192793279 RRAFZXPQIWSIIL-CYBMUJFWSA-N 306.341 1.928 0 40 DDAB CCc1ccc([C@H]2COCCN2C(=O)c2ccc[nH]c2=O)o1 96412793 DTBYWAVVKFSSAJ-CYBMUJFWSA-N 302.330 1.744 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NC(=O)NCCc1ccccc1 238822541 CZMIQFLVMOMDQD-OAHLLOKOSA-N 301.394 1.845 0 40 DDAB COc1cc(OC)cc(N2CC[C@H](NCc3ncc[nH]3)C2)c1 96449345 FJSOONYQCBXJIA-LBPRGKRZSA-N 302.378 1.795 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1ccc(C)o1)OCC2 96059715 IRWVWIYASJEDFM-AWEZNQCLSA-N 319.361 1.475 0 40 DDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)N(C)C)C2)CC1=O 96239406 YLVZIKBFKYPXRO-MRXNPFEDSA-N 320.393 1.397 0 40 DDAB Cc1nnc(N2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)s1 96220669 CWONZXBIHLLKAG-GXTWGEPZSA-N 320.418 1.777 0 40 DDAB COCCn1c2c(ccc1=O)C[C@@H](NCc1ccoc1)CC2 96189658 RWCFLOGNNQCTRZ-HNNXBMFYSA-N 302.374 1.735 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2N1C(C)C 96054231 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301.346 1.092 0 40 DDAB CN1CCN(C(=O)c2ccccc2)C[C@@H](Cc2ccccn2)C1=O 19700821 WXKBRRJHUWJGRX-MRXNPFEDSA-N 323.396 1.855 0 40 DDAB CNC(=O)[C@]1(C)CCCN1C(=O)c1cn2cccc(C)c2n1 19746481 KTBBNWZISAFIQE-INIZCTEOSA-N 300.362 1.383 0 40 DDAB Cc1cc(N2CC[C@H](Nc3nnc(C(C)C)s3)C2=O)n(C)n1 154080162 RYVOIRRUOLJITJ-JTQLQIEISA-N 320.422 1.921 0 40 DDAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)NC1CCOCC1 225556127 WOIVZXOVXAWNGQ-QGZVFWFLSA-N 304.390 1.762 0 40 DDAB Cc1nc(CN2CC[C@H](N=c3ccc4nccn4[nH]3)C2)cs1 548349557 OPYDULFQAWBQJR-LBPRGKRZSA-N 314.418 1.603 0 40 DDAB Nc1nnc(SCC(=O)NC(=O)NCc2ccccc2)s1 2618600 IHMDEOWOJMGPET-UHFFFAOYSA-N 323.403 1.238 0 40 DDAB CCN=c1nc(N2CCN(c3ncc(Cl)cn3)CC2)cc[nH]1 1888843366 FRZGIXNTTUIQAV-UHFFFAOYSA-N 319.800 1.100 0 40 DDAB O=C(O)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1889128366 ZTMXWOMYKMJJQW-GFCCVEGCSA-N 300.318 1.025 0 40 DDAB Cn1nc(-c2cnccn2)cc1CNC(=O)Cc1ccsc1 240178531 YZGGZKNWZGZOJA-UHFFFAOYSA-N 313.386 1.798 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21 2037985312 FGXSWGVNPXOCJS-JSGCOSHPSA-N 322.792 1.659 0 40 DDAB COC(=O)c1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 813594275 YFLBQMFHMSZSAJ-GFCCVEGCSA-N 321.377 1.972 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3ncnc(C)c3C)C2)nc1 2087126141 UTDVBECGDFSXRO-GFCCVEGCSA-N 301.350 1.550 0 40 DDAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 4370375 ZOZFSIXDGRIIGE-UHFFFAOYSA-N 323.356 1.590 0 40 DDAB CCNC(=S)N1CCN(C(=S)c2ccc(OC)cc2)CC1 5043711 NEQIGOYQZYYFBM-UHFFFAOYSA-N 323.487 1.883 0 40 DDAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)NC1CC1 8864313 ZWIPMPAKGDQFJT-ZDUSSCGKSA-N 307.419 1.280 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@@H](OCCO)c1cccs1 575606026 IWNVQHOYWKLJFA-LLVKDONJSA-N 310.375 1.833 0 40 DDAB O=CNc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1 1295 NOWADDNUCMOPLH-UHFFFAOYSA-N 304.327 1.656 0 40 DDAB NC(=O)c1ccsc1NC(=O)Cc1ccc2c(c1)OCO2 9521630 DNTZWULJNGOBHG-UHFFFAOYSA-N 304.327 1.757 0 40 DDAB CCc1nc(CN2CCN(CC(F)(F)C(F)F)CC2)no1 79311782 GXJNWCCGAUZUAW-UHFFFAOYSA-N 310.295 1.650 0 40 DDAB C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H](C)O1 40488184 VLWVBPPFXQCDIO-CHWSQXEVSA-N 300.362 1.576 0 40 DDAB O=C1NCCCC[C@H]1NCc1ccc(-n2cncn2)c(F)c1 40554314 SMMXQMRNZHMYPA-CYBMUJFWSA-N 303.341 1.165 0 40 DDAB Cc1cc(Br)ccc1NC(=O)N1CCNC(=O)C1 40526652 JGFBIQAJDZUTSE-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCCCNC1=O 40522127 FGSUVKUSXGXWJJ-OAHLLOKOSA-N 320.437 1.483 0 40 DDAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@H](C(N)=O)C3)c2O1 41127706 VHBQYNDIWQKUHT-LBPRGKRZSA-N 318.373 1.113 0 40 DDAB COc1ccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)cc1 69489815 QZWHMHGGKZACGH-OAHLLOKOSA-N 320.389 1.861 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)CN2CSCC2=O)cc1 21622620 JYJYLYVIGGWRRB-AWEZNQCLSA-N 320.414 1.892 0 40 DDAB NC1(C(=O)O)C[C@@](O)(c2ccccc2)[C@](O)(c2ccccc2)C1 1686526 JLEWWTDDLVAJRD-QZTJIDSGSA-N 313.353 1.338 0 40 DDAB COCCNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 2007657 PMESBKKQUTYHGL-UHFFFAOYSA-N 314.349 1.221 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 78938894 NVXIXIUYVUQYCY-UHFFFAOYSA-N 321.358 1.792 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n[nH]1 78901470 JLKJVASIJLCPAR-NEPJUHHUSA-N 302.378 1.571 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)Nc2nc(C)cs2)c1CC 79111404 SBRKPYQUWZKZIJ-UHFFFAOYSA-N 321.406 1.981 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)CCNC(=O)NC1CCCCC1 52749847 HYLJRIKIQVSPFQ-CYBMUJFWSA-N 321.425 1.410 0 40 DDAB CCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 6204467 OQHGRELDPNFFQG-CYBMUJFWSA-N 312.435 1.984 0 40 DDAB CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)no1 102328706 RCFXHBNMRGDHCO-OSTYVCCYSA-N 306.318 1.565 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)cc1C 10044262 KEAUDRBEZYJGDE-HNNXBMFYSA-N 318.398 1.808 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3oc(=O)[nH]c3c2)on1 103164236 LENNUYZAVXDLCK-QMMMGPOBSA-N 302.290 1.857 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(NC(=O)c1ccccc1O)C2=O 100513918 WCNSSBRGCNUNTP-GTNSWQLSSA-N 316.357 1.848 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H](CNS(C)(=O)=O)C1 41625444 VLSUVRWNKSAVNG-GFCCVEGCSA-N 301.412 1.053 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)N1CCc2ccccc2C1 8240500 QOTWDNFXJRUKLC-UHFFFAOYSA-N 319.364 1.981 0 40 DDAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c1 8493630 QVUVHMDGYWPQFE-INIZCTEOSA-N 320.433 1.909 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cc(Br)c[nH]1 37502809 HMXDUESSFBEPMA-QMMMGPOBSA-N 300.156 1.176 0 40 DDAB C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc2c(c1)OCCO2 47746709 VCTDLYBXCDRZFD-JQWIXIFHSA-N 304.346 1.161 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1 54692459 OSHQENGBLWQDOZ-HNNXBMFYSA-N 306.325 1.586 0 40 DDAB CC(=O)Nc1nc(COC(=O)Cc2c(C)noc2C)cs1 24267593 DYYBDGPZLCRQHL-UHFFFAOYSA-N 309.347 1.992 0 40 DDAB Cc1c(C(=O)NCCCC(N)=O)cnn1-c1ccc(F)cc1 42925046 UYGBNGRUCONLFT-UHFFFAOYSA-N 304.325 1.315 0 40 DDAB C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cc(F)cc(F)c1 55280763 GBMRHGAFQZJWMH-SECBINFHSA-N 318.345 1.254 0 40 DDAB C[C@@H](CNC(=O)N[C@H]1CCOc2ccccc21)N1CCOCC1 47865700 CNYLVVOMDFJUQH-ZFWWWQNUSA-N 319.405 1.530 0 40 DDAB CNC(=O)CN1CCC(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 25232926 AGRUVNWDHXPGHS-GOEBONIOSA-N 321.465 1.551 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCN(C[C@H]2CCOC2)CC1 107150901 SVZUEHYUPFPARQ-HZPDHXFCSA-N 309.454 1.042 0 40 DDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H](C)c1nc(C)no1 107142236 ZZZDHIUNUWCTJM-JLLWLGSASA-N 316.427 1.089 0 40 DDAB O=C(O)CN1C[C@H]2C[C@H](C1)CN(C(=O)c1cccc(F)c1)C2 107261651 BEJPPZAPATYIFG-VXGBXAGGSA-N 306.337 1.304 0 40 DDAB CCN(C[C@H]1CN(C[C@H]2CCOC2)CCO1)c1cccnn1 107354023 IILWUZRZHVVKFD-HUUCEWRRSA-N 306.410 1.040 0 40 DDAB C[C@@H]1CN(C)CCN1[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 107580975 WQYFWPULVQQMGQ-IIAWOOMASA-N 317.433 1.651 0 40 DDAB NC(=O)[C@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)CCO1 50857472 XHMUQWOQCUKXRH-GFCCVEGCSA-N 322.430 1.733 0 40 DDAB CC(C)CNC(=O)CN1C(=O)[C@H](C)N=C(O)c2ccccc21 72326204 WAVABXLKLKJGHR-NSHDSACASA-N 303.362 1.499 0 40 DDAB biogenic CCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1C 26759289 YDEFUNZKBTYWQK-UHFFFAOYSA-N 318.826 1.795 0 40 DDAB Cc1noc(C)c1CN1C(=O)C(=O)N(C2CCCCC2)C1=O 27273856 GJGSNHOWKCLMJR-UHFFFAOYSA-N 305.334 1.915 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 10199686 QMWZJKFJSWPOAB-NHYWBVRUSA-N 321.421 1.818 0 40 DDAB C[C@@H](C(=O)NC1CCCCC1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100771115 DVTPMYCKKDOAJR-YLXLXVFQSA-N 316.401 1.631 0 40 DDAB CCN(CC)c1ccc(CNC(=O)[C@@H](C)n2cncn2)cn1 44952601 XAXANMZRJBFTKM-GFCCVEGCSA-N 302.382 1.397 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccsc1 44919658 IAUBXXGXHQCCRU-YPMHNXCESA-N 324.450 1.258 0 40 DDAB CCOC(=O)[C@@H](OC(=O)c1sc(=S)n(C)c1C)C(C)=O 2343924 QWPYSBMEUXIEEN-QMMMGPOBSA-N 317.388 1.802 0 40 DDAB CCc1noc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 29134587 IEOXPHBCKAGGIO-INIZCTEOSA-N 312.329 1.526 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1CCN1CCc2ccccc2C1 29303586 YRKWRDAPPBJMBJ-UHFFFAOYSA-N 321.380 1.748 0 40 DDAB CCCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O 8474940 DQYGOJLCCAMWLG-UHFFFAOYSA-N 316.386 1.639 0 40 DDAB Cc1cccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 12853480 GKYBHIFSNBCIBE-ZDUSSCGKSA-N 318.373 1.599 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)n1 69565156 FKXVHRCYPUZCJN-WCQYABFASA-N 304.394 1.488 0 40 DDAB COC(=O)c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 12935693 LQBHQQWDZKBBSO-QGZVFWFLSA-N 324.380 1.885 0 40 DDAB COc1cc(OC)c(OC)cc1CNCCc1cnn(C)c1 48784469 YLHFRDFJYJVDHA-UHFFFAOYSA-N 305.378 1.778 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)ccc21 13260809 XDSXRJBWXCNOLF-CQSZACIVSA-N 316.357 1.532 0 40 DDAB CCN(CC)C(=O)N1CCN(C(=O)CCc2ccccn2)CC1 63242160 PBKOKSWMGYWKLW-UHFFFAOYSA-N 318.421 1.620 0 40 DDAB CCOc1ccc(C(=O)NC)cc1S(=O)(=O)N1CCCC1 408699240 VRYYXBWRFLYOLM-UHFFFAOYSA-N 312.391 1.229 0 40 DDAB Cn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1=O 8780499 SFRYVEGNABJXJZ-UHFFFAOYSA-N 313.342 1.551 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69918922 QMPJCFTYPVXTFB-INIZCTEOSA-N 302.418 1.632 0 40 DDAB Cc1cnn(CCN[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 69974226 PNYIQQRMYXDSAF-NSHDSACASA-N 307.785 1.857 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3C2=O)cc1F 18408602 WJWYQZMSTASCJO-GFCCVEGCSA-N 305.309 1.499 0 40 DDAB CCC(C)(C)[C@H]1CCCN1C(=O)c1coc(S(N)(=O)=O)c1 92528133 PHAJRYSZVVASLS-LLVKDONJSA-N 314.407 1.968 0 40 DDAB CC(=O)Nc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 5485328 BQLMWWASURGUFP-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCC(=O)NCc1ccco1 7952940 YTEBKIQFGDQTMA-UHFFFAOYSA-N 322.748 1.988 0 40 DDAB COC[C@@]1(C)NC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O 69166536 OJGWEHWBQDUVNK-OAHLLOKOSA-N 323.324 1.111 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)NCC1(O)CCCCCC1 81761659 QTUUFSDJLNGLBJ-UHFFFAOYSA-N 318.417 1.926 0 40 DDAB CN(C)S(=O)(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 96002796 OQJISPHXMYHCBO-CYBMUJFWSA-N 312.439 1.772 0 40 DDAB Cc1cc2n(n1)C[C@H](CNCc1ccc(-n3cccn3)nc1)CN2 69385816 AWFJFYANFXNFKC-OAHLLOKOSA-N 323.404 1.604 0 40 DDAB NS(=O)(=O)c1cn(CCC(F)(F)F)nc1Br 408717535 GHGYXWUKRPSQCH-UHFFFAOYSA-N 322.106 1.245 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCCC[C@H]3Cn3cccn3)cn12 71865406 XUYKFNRSMHCEQX-HNNXBMFYSA-N 324.388 1.929 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H]1c1cccnc1)C2 71860288 SGLCJJMZIIFFMH-GJZGRUSLSA-N 323.400 1.992 0 40 DDAB COc1cc(CNC(=O)c2occc2C)ccc1OCC(N)=O 71815173 MHCLHWNULARHPC-UHFFFAOYSA-N 318.329 1.391 0 40 DDAB COc1cc(F)ccc1N(C)Cc1nc(N)nc(N(C)C)n1 95409287 BUSJGVZLDALHJP-UHFFFAOYSA-N 306.345 1.304 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)C[C@H]2CCCO2)c(C)nn1C 72234385 RKOPUCRTXVZIOI-OLZOCXBDSA-N 307.394 1.970 0 40 DDAB CO[C@@H](CNC(=O)N(C)CCN1CCOCC1)c1ccccc1 72274199 LBLNAKBEXFBWNY-INIZCTEOSA-N 321.421 1.348 0 40 DDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ncc[nH]1)C2=O 72283636 POPCUDMPTRLRRV-UHFFFAOYSA-N 312.329 1.021 0 40 DDAB CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(NC(=O)OC)c1 95451785 WMMMZEOJMBJTPJ-CHWSQXEVSA-N 319.361 1.509 0 40 DDAB Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H](C)N1CCSCC1 95434514 FZRLRXIFBQGTGL-CMPLNLGQSA-N 311.451 1.948 0 40 DDAB Cc1cc(C(F)(F)F)nc(N2CCN(CCCO)CC2)n1 95469195 OJTFHSUDWCGCCR-UHFFFAOYSA-N 304.316 1.308 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC1(CO)COC1 84881334 GFSGDBFMRFHLFJ-CYBMUJFWSA-N 302.378 1.269 0 40 DDAB CCS[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c2c(cnn2C)c1=O 95983151 QZQHTRRZTPASNT-RYUDHWBXSA-N 320.418 1.666 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)c2ccc(O)cc2F)CC1 95993673 TUVYNIVODDAJDF-LBPRGKRZSA-N 309.385 1.287 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(=O)[nH]1 75119291 BZGSWLYDSYIPHI-SNVBAGLBSA-N 300.314 1.903 0 40 DDAB O=C(NCCCCn1ccccc1=O)NCc1ccccn1 75612821 KEHRTUPATZXEFV-UHFFFAOYSA-N 300.362 1.523 0 40 DDAB CC1(C)NC(=O)N(CCC(=O)OCCOc2ccccc2)C1=O 24870284 VFKUWVGZVWEGGA-UHFFFAOYSA-N 320.345 1.329 0 40 DDAB CC1(C)O[C@@H]2NC(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3OC[C@@H]21 170612837 RABQDEDLDXSAFJ-RSXIPKFTSA-N 302.330 1.369 0 40 DDAB Cn1cccc(C(=O)NC[C@](O)(c2ccccc2)C2CC2)c1=O 70966119 NNUWTQDMTKQKME-SFHVURJKSA-N 312.369 1.413 0 40 DDAB CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705911 QEOZKYVGHCTGSI-UHFFFAOYSA-N 316.398 1.898 0 40 DDAB CC[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1c(C)noc1C 534284620 VLCDEHLDDLKUQG-NSHDSACASA-N 315.333 1.921 0 40 DDAB COc1cc(Cl)c([C@H]2CC(=O)N=C3NC=NN32)cc1OC 38198544 XRULGOHCFRSYIL-SECBINFHSA-N 308.725 1.533 0 40 DDAB CC(C)C(=O)N1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337613 LFOYJDILEMSZDY-UHFFFAOYSA-N 321.406 1.310 0 40 DDAB O=C(c1ccc2nnnn2c1)N1CCO[C@@H](c2ccccc2)C1 79493837 XUXOSMOZWUAFFA-CQSZACIVSA-N 309.329 1.338 0 40 DDAB COc1ccc2c(=O)c(C(=O)NC[C@@H]3CCCO3)c[nH]c2c1 35288699 VTLMHPMABVCJKH-NSHDSACASA-N 302.330 1.446 0 40 DDAB COCc1nc(C2CCN(C(=O)c3cscn3)CC2)no1 72364193 DRRBMTWULYWQNR-UHFFFAOYSA-N 308.363 1.692 0 40 DDAB COCCOc1cccc(C(=O)NC2(CC(=O)OC)CC2)c1 565058919 HRTFSJGZAZRMSG-UHFFFAOYSA-N 307.346 1.537 0 40 DDAB C[C@@H]1CN(CCNC(=O)c2cnccc2C(F)(F)F)CCO1 565182917 SIZWMRPFBJVXDM-SNVBAGLBSA-N 317.311 1.551 0 40 DDAB COc1ccc(C)c2c1N(CC(=O)N1CCOCC1)CCC2 69024365 YKKKOOXFVOBJKS-UHFFFAOYSA-N 304.390 1.615 0 40 DDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccco1 71980295 PHUWZIHQQDBDOU-GFCCVEGCSA-N 322.361 1.407 0 40 DDAB Cc1cc(C(=O)NCCc2n[nH]c(=O)[nH]2)c2cccc(C)c2n1 82108925 DFUHGKUOBPVERB-UHFFFAOYSA-N 311.345 1.236 0 40 DDAB 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COc1ccc2cc(C(=O)N3CCN(C)CC3)c(=O)oc2c1 96308828 PACRROKGUFMCIZ-UHFFFAOYSA-N 302.330 1.189 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(Cc1ccncc1)C2 96215087 DUGJFAYZTDGFAB-HNNXBMFYSA-N 309.435 1.472 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1cnccn1)C2 96198049 SWIDOLHFWCBWRZ-LBPRGKRZSA-N 301.350 1.079 0 40 DDAB Cc1nc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CC3)C2)cs1 96041167 KJAKCAAVBLAYFC-SOUVJXGZSA-N 321.446 1.567 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)cc1 96068961 RDIZQSCAQWNMAI-UKRRQHHQSA-N 320.389 1.244 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1c(C)noc1C)C2 97199219 GHWSWUJKWTWNIL-ZDUSSCGKSA-N 302.378 1.860 0 40 DDAB CCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NCC(C)C)C[C@@H]32)N=C1C 96261458 QXLRYYWUFBNMOM-JKIFEVAISA-N 320.437 1.713 0 40 DDAB CN(C)C(=O)COC[C@H]1C[C@@H]2OCCN(Cc3ccco3)[C@H]2C1 96250470 HBGMMXWJMHSXJT-KBMXLJTQSA-N 322.405 1.364 0 40 DDAB CCCN1C[C@H](CNC(=O)N2C[C@H](C3CC3)O[C@H](C)C2)CC1=O 333621001 ZLHDIBQSYCIKKU-VNHYZAJKSA-N 323.437 1.454 0 40 DDAB COC[C@@H]1CN(Cc2cnn(C)c2)Cc2nnn(CC3CC3)c21 96060884 FGBVZGNXYQOWLF-AWEZNQCLSA-N 316.409 1.167 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96055846 WIHJFJQZWFQMHH-DLBZAZTESA-N 315.417 1.683 0 40 DDAB O=C(c1ccoc1)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96047735 YFQDMXZMLUBEFU-BBRMVZONSA-N 314.345 1.555 0 40 DDAB COCCN1C[C@H]2CC[C@@]3(N=C(C)N(CC4CC4)C3=O)[C@H]2C1 96261485 XMGQNRVVCMSYEX-HLLBOEOZSA-N 305.422 1.384 0 40 DDAB COCC(=O)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 96041377 DCJYDVDZXQPSFQ-DZKIICNBSA-N 306.362 1.003 0 40 DDAB CC1CCN(C[C@H](O)COc2cccc(-n3cnnn3)c2)CC1 95439037 UMZKRTHXIKNJTL-HNNXBMFYSA-N 317.393 1.134 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O 242543438 JZXYBVMSFCJJHN-NFAWXSAZSA-N 311.403 1.020 0 40 DDAB Cc1cc(C[C@H]2COCCN(C(=O)c3cccn3C)C2)ncn1 257328802 XHEJCWCAJXNBGW-CQSZACIVSA-N 314.389 1.455 0 40 DDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCOC[C@@H]1c1ccn[nH]1 257344826 ZYUHDYZRSVESRZ-OAHLLOKOSA-N 324.344 1.409 0 40 DDAB CC(=O)N1CCC(Cc2cncc(N3CCOC3=O)n2)CC1 257267959 MJRMOZSMQLJJOY-UHFFFAOYSA-N 304.350 1.234 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)c1ccn(C)n1 257218826 DENOCGVPPCLLEP-CQSZACIVSA-N 300.362 1.215 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2nccn2C)n1 257232825 GMORKBQZEJJLFY-AWEZNQCLSA-N 314.393 1.183 0 40 DDAB CN1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C 253403421 PUXMLSVQGWYXNU-INIZCTEOSA-N 316.449 1.606 0 40 DDAB biogenic,in-vitro COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CCCCN1C(N)=O 252494009 NIHXGAUJGPFGOE-JQWIXIFHSA-N 323.368 1.945 0 40 DDAB O=C1CCCN1CCCC(=O)N1CCNC[C@H]1c1ccccc1 257321870 WDPOGZFJIGSPID-INIZCTEOSA-N 315.417 1.562 0 40 DDAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2)C1 96122018 KKDDNOPOIWCIBP-UHFFFAOYSA-N 317.432 1.130 0 40 DDAB CCCS(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1 575402754 GTACOCISIXXRBK-GFCCVEGCSA-N 305.465 1.713 0 40 DDAB CCOC(=O)[C@H]1CN(C(=O)C2(F)CCC2)Cc2ncn(CC)c21 585110607 HMYQLKSVFZMOSA-NSHDSACASA-N 323.368 1.784 0 40 DDAB CN(C)C/C=C/C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585289023 CYEDYQZZDWQGNH-LWBCESNNSA-N 302.418 1.699 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)N1CCSCC1 45375913 WLPOYMUBNGFKBI-UHFFFAOYSA-N 322.434 1.177 0 40 DDAB C[C@H](C(=O)O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51639043 PCSBGSOPKINWAH-SECBINFHSA-N 314.744 1.710 0 40 DDAB CCOC(=O)N1CCN(CC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 52872514 LORBYCHLBZTQQK-OKILXGFUSA-N 311.426 1.550 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 57975698 IZERFGRZPQMBGD-ZJUUUORDSA-N 324.299 1.445 0 40 DDAB CC(C)C(=O)N(C)Cc1ccc(/C(O)=N/S(C)(=O)=O)cc1 76758318 FXVUPQBIYQLARH-UHFFFAOYSA-N 312.391 1.565 0 40 DDAB CC(C)c1nnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 301674832 HAXTYXSDEOQBLF-GFCCVEGCSA-N 324.450 1.737 0 40 DDAB CC1(C)CC[C@H](C(=O)N2CCC(O)(Cc3ccncc3)CC2)O1 566916931 FTJTULRGLXPEPZ-OAHLLOKOSA-N 318.417 1.935 0 40 DDAB CCc1nn(CC(=O)N(C)C)c(=O)c2cc3sccc3n12 12115303 NRVICTPBVNADCO-UHFFFAOYSA-N 304.375 1.361 0 40 DDAB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)c(OC)c1 5066903 QLXYKLYIOUFPQC-WCQYABFASA-N 303.318 1.115 0 40 DDAB Cc1cnc(C(=O)N[C@H](C)c2nc(-c3ccncc3)n[nH]2)cn1 12114857 JBEJAYCSQBPEFP-SNVBAGLBSA-N 309.333 1.456 0 40 DDAB O=C(NC1CC1)[C@@H]1C=CCN1S(=O)(=O)c1cccc(F)c1 12182634 KZJKKSZUTLEAKO-ZDUSSCGKSA-N 310.350 1.033 0 40 DDAB Cc1cnc2c(c1NCc1cccs1)c(=O)n(C)c(=O)n2C 12226751 OAWCJPPNYDHRPL-UHFFFAOYSA-N 316.386 1.614 0 40 DDAB O=C(c1cnc(N2CCOCC2)nc1)N1CCCC12CC=CC2 12364677 WULZFAUCYVGBIY-UHFFFAOYSA-N 314.389 1.638 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12794253 FPVIJRDSAJQAHD-UHFFFAOYSA-N 324.808 1.955 0 40 DDAB CN1CCN(c2nnc(O)c3c2nnn3C2CCCCC2)CC1 16958843 CBKVJEDOWJQSFM-UHFFFAOYSA-N 317.397 1.184 0 40 DDAB C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccccn1 19656424 DAQQCRYBKWUWPH-VIFPVBQESA-N 300.343 1.642 0 40 DDAB CCOC(=O)c1sc(Nc2nc3c(c(=O)[nH]2)CCC3)nc1C 19819602 FXPGKDYRQXLJPL-UHFFFAOYSA-N 320.374 1.944 0 40 DDAB CSc1nc(C2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4341283 NBYZKXPVXCVAAC-UHFFFAOYSA-N 320.418 1.797 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccc(-c3cccnc3)cc2)CN1 525740199 NFVVJOUOXIOQQM-MRXNPFEDSA-N 309.369 1.891 0 40 DDAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@@H]21 245205026 LGSMWHUTRPDMIY-ORMBPQIASA-N 313.350 1.599 0 40 DDAB CCn1nnc2c(SCC(=O)NC3CCCCC3)ncnc21 13532189 JOTMSQZRIYXSLX-UHFFFAOYSA-N 320.422 1.782 0 40 DDAB O=C1NCC2(CCC(N3CCOCC3)CC2)Oc2ccccc21 19374826 IRFVFAHWRJBFGS-UHFFFAOYSA-N 316.401 1.822 0 40 DDAB O=C(C1CCOCC1)N1CCCN(C2CCSCC2)CC1 575616271 MMJPFULEMNFFDV-UHFFFAOYSA-N 312.479 1.843 0 40 DDAB Cc1cc(F)cnc1C(=O)N1CCN(c2ncccn2)CC1 1889122665 AUXVPYDTQRTUIR-UHFFFAOYSA-N 301.325 1.282 0 40 DDAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1 27849266 ZPBISFDGWINJTL-FZMZJTMJSA-N 315.373 1.539 0 40 DDAB CCc1cc(C(=O)N2CCN(c3nc(C)cs3)CC2)[nH]n1 27818323 LUYUYTXCHODLBN-UHFFFAOYSA-N 305.407 1.699 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccco2)no1 29963815 GVGVYUFKGYOZFS-ZDUSSCGKSA-N 324.340 1.742 0 40 DDAB O=S(=O)(C1CC1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238856013 JYJBFRXLXKXTJP-UONOGXRCSA-N 319.386 1.745 0 40 DDAB Cc1ocnc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984800 OHTZBQZTXFICKA-INIZCTEOSA-N 321.377 1.083 0 40 DDAB O=C(c1cc[nH]c1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@H]2C1 1565545894 NNESGZXJWFTESY-CFVMTHIKSA-N 317.389 1.257 0 40 DDAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccco2)CC1 2055713369 GDAGYACEPMIZRJ-UHFFFAOYSA-N 302.378 1.556 0 40 DDAB O=C(Nc1ccccc1)N1CCC(N2C(=O)COCC2=O)CC1 1775967623 YJHJSUUIJRFTIN-UHFFFAOYSA-N 317.345 1.068 0 40 DDAB CSc1cccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1 575617640 YMNBBERACSMDBZ-UHFFFAOYSA-N 320.370 1.459 0 40 DDAB NC(=O)CONC(=O)c1cc(-c2ccccc2)cc(Cl)c1O 89462059 GUAATXQBWUVMHE-UHFFFAOYSA-N 320.732 1.859 0 40 DDAB O=C(NCCCN1CCCCCC1=O)c1ccc2c(c1)OCO2 40462721 YUXTZLNXFWPTHP-UHFFFAOYSA-N 318.373 1.938 0 40 DDAB O=C(NCCCN1CCCCCC1=O)c1ccc2[nH]nnc2c1 40489287 UNJGVUUQOJAPLO-UHFFFAOYSA-N 315.377 1.480 0 40 DDAB CC(=O)N1CCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 40540531 TXSHTRFVUQKNKH-UHFFFAOYSA-N 313.304 1.984 0 40 DDAB O=C1CN(C(=O)CCC(=O)N2CCCC2)c2ccccc2N1 21003954 LBDDNELRJJEHKS-UHFFFAOYSA-N 301.346 1.374 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1 32771644 QQOHVAZOQANUJE-SECBINFHSA-N 304.350 1.291 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 60292199 CSNHTHDOMLOEGW-GFCCVEGCSA-N 304.346 1.328 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N3CCO[C@H](C)C3)CC2=O)c1C 29789617 UVXGQRIBZSRPKP-HIFRSBDPSA-N 316.401 1.904 0 40 DDAB CNC(=S)N(CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O 420028 QUHZUPDWJCGFCV-UHFFFAOYSA-N 319.430 1.444 0 40 DDAB CCNC(=O)NC(=O)CN1CCC(OCc2ccccc2)CC1 32851165 IDXRUYXHHXCECH-UHFFFAOYSA-N 319.405 1.513 0 40 DDAB Cc1ccnc(NC(=O)COC(=O)c2ccc(F)cc2F)n1 2636939 FLOHFIMRDCBMOP-UHFFFAOYSA-N 307.256 1.859 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1CC1CC1 69778738 OGINOWHUCVAFAY-HUUCEWRRSA-N 316.405 1.133 0 40 DDAB Nc1nc(NC[C@@H](O)c2ccc(Cl)cc2)c2nc[nH]c2n1 76093083 WYJVJFOHLVTBJM-SECBINFHSA-N 304.741 1.734 0 40 DDAB Cc1cc(NC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)n(C)n1 76774372 QNCUJFBNWPDQJL-ZDUSSCGKSA-N 321.425 1.351 0 40 DDAB COC(=O)c1ccccc1NC(=O)CSc1nnc(N)s1 2174782 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COCCn1ccc2ccc(C(=O)NCCc3c[nH]cn3)cc21 85879408 RZHCTUCMMGSWJJ-UHFFFAOYSA-N 312.373 1.983 0 40 DDAB biogenic NCCCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F 195544479 IVCRBOFHDLFQFT-UHFFFAOYSA-N 316.732 1.986 0 40 DDAB O=C(CN1CCc2cc(Br)ccc21)N1CCNC1=O 49323033 YICPMAKBFGCZGO-UHFFFAOYSA-N 324.178 1.363 0 40 DDAB COc1ccc(C2=NO[C@@](C)(C(=O)NC[C@H]3CCCO3)C2)cc1 96192802 CSILLSNPJFWDSF-RHSMWYFYSA-N 318.373 1.874 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C12CCC2 96423418 FNOBHHWYEPBWLG-KGLIPLIRSA-N 315.373 1.934 0 40 DDAB COC[C@@H](C)NC(=O)COc1cccc(N2CCCC2=O)c1 96402231 PGQAVJHLTDLBDG-GFCCVEGCSA-N 306.362 1.343 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)NC1CC1 96057276 BOQHZMFBTYSVJR-IOASZLSFSA-N 304.390 1.643 0 40 DDAB Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1 96064667 DARKJOJWNMSENI-HUUCEWRRSA-N 322.430 1.520 0 40 DDAB C[C@]1(C(=O)NCCN2CCOCC2)CC(c2ccccc2)=NO1 96192716 RUSPRMYXDFPPLF-QGZVFWFLSA-N 317.389 1.018 0 40 DDAB CCc1noc(C)c1C[S@@](=O)Cc1nsc(N(C)C)n1 97237082 MNABIMSSBIWGFO-FQEVSTJZSA-N 314.436 1.912 0 40 DDAB Cc1nnc(NC(=O)CCCn2c(C)cc(O)cc2=O)s1 94993125 XAHMYBBXFLJTAE-UHFFFAOYSA-N 308.363 1.441 0 40 DDAB OCCCN(C[C@@H](O)Cn1cccn1)[C@H]1CCc2ccccc21 245338914 PGHUNAUPDDGAFV-AEFFLSMTSA-N 315.417 1.616 0 40 DDAB O=C(N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O)c1cc2c(s1)CCC2 257328057 XDXZOXIEQIYMFL-LALPHHSUSA-N 317.414 1.928 0 40 DDAB O=C(CC1CCCC1)NC[C@]1(O)CCN(c2cnccn2)C1 257315259 VANZMOXDGZJPBJ-MRXNPFEDSA-N 304.394 1.114 0 40 DDAB Cn1nccc1C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257213670 CIPSWLJNJIGIDX-FVQBIDKESA-N 315.373 1.511 0 40 DDAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2ccn(C)n2)n1 257222942 DVFVVZFZMJAJRU-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 575406586 YSVCPGFPYZABKK-CYBMUJFWSA-N 319.336 1.458 0 40 DDAB O=S1(=O)C=C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 575422751 OFWMDLJIGMNEBY-CYBMUJFWSA-N 323.395 1.429 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C=CS(=O)(=O)C1 575424437 AGSVKRNCCZLMRO-SNVBAGLBSA-N 321.807 1.237 0 40 DDAB COCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575405809 JIFAFGWOLAUNLC-LLVKDONJSA-N 310.325 1.006 0 40 DDAB O=C(NCC[C@@H]1CN(C2CCC2)Cc2ccnn21)N1CCCC1 585112871 XKRFHRQSADLUMM-OAHLLOKOSA-N 317.437 1.988 0 40 DDAB O=C1N(c2ncccn2)C[C@]12CCCN(C[C@H]1CCCO1)C2 585099375 HSKNBQARQBMTMN-CZUORRHYSA-N 302.378 1.084 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccc(F)c(C)c1 585287915 HRVHHYKSUKXMKH-KFWWJZLASA-N 311.353 1.635 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 46198036 OEOFEFHAAGEEDO-DZGCQCFKSA-N 317.389 1.905 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@H]1CCN(c2ccccc2)C1 58176646 WSRRYGIOIIKFBS-CQSZACIVSA-N 311.451 1.689 0 40 DDAB C[C@@H](NCc1cnn(C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 68722217 AJESMWUZWPFUCJ-GFCCVEGCSA-N 322.434 1.521 0 40 DDAB CCc1nc([C@H]2CCCN2Cc2nc(CCOC)no2)no1 72271009 WVRMMJFDPMTLNY-SNVBAGLBSA-N 307.354 1.541 0 40 DDAB CC1CCC2(CC1)OC[C@@H](CNC(=O)CCn1cccn1)O2 95992167 VGPQQGPMMADUID-NPCAHTBFSA-N 307.394 1.711 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 1576104 RWAYODJQGJVQGX-SMDDNHRTSA-N 322.361 1.528 0 40 DDAB CCN(CC)C(=O)Cn1nc(C)n2c(cc3occc32)c1=O 12115417 CSYGADAUSQTOFA-UHFFFAOYSA-N 302.334 1.419 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](Cn2cc(C(=O)O)nn2)C1 12145164 QRALPKRZEYEDDV-SNVBAGLBSA-N 310.354 1.623 0 40 DDAB CCN(CC)CC(=O)N(C)Cc1cc([C@H]2CCCNC2)nn1C 19709050 OAUNNSGTYYPORB-AWEZNQCLSA-N 321.469 1.187 0 40 DDAB Cc1cc(C)n(CC(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)n1 19747745 CGFYXFOKRVRVJF-CQSZACIVSA-N 318.421 1.407 0 40 DDAB Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N(C)C(C)C)n1 163475798 XLDUSZDVXXPJFP-UHFFFAOYSA-N 315.377 1.689 0 40 DDAB Cc1cc(N2CCN(Cc3ccccc3)C(=O)C2)n2ncnc2n1 1888897543 QGDQWSUJMRTUGB-UHFFFAOYSA-N 322.372 1.282 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccccc1Cl 36885466 AVXZOMUHFLDBAI-UHFFFAOYSA-N 303.767 1.825 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 40513447 COSJMMVTBXEHKJ-LLVKDONJSA-N 324.381 1.523 0 40 DDAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 2037666348 JZEZRUDVLZCLOO-LBPRGKRZSA-N 321.406 1.662 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)cn1 2037684448 GUNJSWYCIDWCQD-CQSZACIVSA-N 312.373 1.884 0 40 DDAB O=C(N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21)C1(F)CC1 1565548704 IQXHEPNZKFTBOD-SOUVJXGZSA-N 320.364 1.859 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@H]2C1 1565550634 GBCQEHYFKPDMJS-WCQYABFASA-N 302.365 1.601 0 40 DDAB O=C(C1CC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2CC1 2055746050 FJIDKYYMKYJVFD-IRXDYDNUSA-N 315.417 1.683 0 40 DDAB Cn1cc(C(=O)NC[C@@H](c2ccsc2)n2cccn2)nn1 575613511 IFSPXXJYWGBHEZ-LBPRGKRZSA-N 302.363 1.093 0 40 DDAB COC[C@@](C)(O)CNC(=O)c1cc(-c2ccc(F)cc2)nn1C 75170445 ZNZODZWYPASCKV-INIZCTEOSA-N 321.352 1.353 0 40 DDAB C[C@@H]1CN(C)c2ccccc2N(C(=O)CCS(C)(=O)=O)C1 96425550 OVCQNXHZGMKFIV-GFCCVEGCSA-N 310.419 1.540 0 40 DDAB CCc1nnsc1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1 40107664 AMFZVKCTDOVQMN-UHFFFAOYSA-N 324.450 1.867 0 40 DDAB CC(C)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cccn2)nc1 40490301 XJEXPSDADFZEAG-NSHDSACASA-N 302.334 1.337 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 181665 ZECAEENPAQXTGE-UHFFFAOYSA-N 323.399 1.460 0 40 DDAB COC[C@@H](C)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40540171 MNWTYXOLUYDVNW-GFCCVEGCSA-N 303.362 1.316 0 40 DDAB COCCOc1ccc(CNc2ncnc3c2cnn3C)cn1 52315443 SJOJJKZHRLDERY-UHFFFAOYSA-N 314.349 1.396 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 41129694 GWNBFCCWIGCGDA-MRVPVSSYSA-N 300.717 1.192 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C1 41132291 BOXRLKKMSYCLKP-MRVPVSSYSA-N 307.400 1.819 0 40 DDAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 119704 LUZZOUMIOSRTED-UHFFFAOYSA-N 317.324 1.043 0 40 DDAB biogenic CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2cnn(C)c2)C1 78088253 KUMISXKIFKOWKH-ZDUSSCGKSA-N 321.425 1.826 0 40 DDAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc[n+]1[O-] 78429180 HUHNSMSYYVFCJJ-MRXNPFEDSA-N 311.385 1.714 0 40 DDAB Cc1ccc(C(C)C)c(OC[C@H](O)CN(CCO)CCO)c1 2686803 ZWFOAIGHKQJGOT-OAHLLOKOSA-N 311.422 1.145 0 40 DDAB Cc1nn(CCCNC(=S)NCCCN(C)C)cc1Cl 2791307 WDLBXHDPRBYDMM-UHFFFAOYSA-N 317.890 1.651 0 40 DDAB CCOc1ccc(NC(=O)CN2[C@H]3CC[C@@H]2CNC(=O)C3)cc1 4984488 IYZUEEXKOQYADP-UONOGXRCSA-N 317.389 1.377 0 40 DDAB Nc1c(C(=O)NCc2cccs2)nnn1-c1ccc(F)cc1 4984616 GXMWXXRVYIVQQE-UHFFFAOYSA-N 317.349 1.980 0 40 DDAB COCCCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 69896169 ABNSGIRGGCFFFR-UHFFFAOYSA-N 323.412 1.808 0 40 DDAB Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCCN(C)C)cn1 104818377 AMUKNXJMLVXDHM-OWCLPIDISA-N 303.406 1.571 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263729 ACGUUKVEMMOXJK-OKZBNKHCSA-N 314.429 1.845 0 40 DDAB CC(C)N1CCc2nc3cc([C@@H]4CCCN4)nn3c(O)c2C1 100003383 MGZLCYQQHPFBTI-ZDUSSCGKSA-N 301.394 1.626 0 40 DDAB CCOc1ccc(NC(=O)CSc2nc(O)cc(=O)[nH]2)cc1 8732780 TUMWHSYFNOPQHU-UHFFFAOYSA-N 321.358 1.605 0 40 DDAB O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCN1CCOCC1 18115486 KZACKMNUBBKNTK-QWHCGFSZSA-N 312.797 1.226 0 40 DDAB CC(C)OC(=O)CCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 54461321 OPYPXZXFRYQWAL-ZDUSSCGKSA-N 305.330 1.226 0 40 DDAB CCOC(=O)/C=C1/SCC(=O)N1C[C@@H](O)c1ccccc1 105779647 FTCFLGMLZBXRDL-ZBQKXELDSA-N 307.371 1.700 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 24433520 KTBBSUMSBFWSQA-GFCCVEGCSA-N 313.375 1.321 0 40 DDAB CC(C)(C)C(=O)Cn1ncc(N2CCOCC2)c(Cl)c1=O 1386889 QCYZDTNQFIPESO-UHFFFAOYSA-N 313.785 1.349 0 40 DDAB Cc1cc(NC(=O)NCCN2CCc3ccccc3C2)n(C)n1 43433661 AJAHCTBEQNIXTQ-UHFFFAOYSA-N 313.405 1.908 0 40 DDAB Cc1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C)s1 106828518 JUCRBXODBBNDRK-KCJUWKMLSA-N 316.448 1.639 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)NCCCc1ccccc1 3250107 LGAWVOOVINOJQM-UHFFFAOYSA-N 314.341 1.281 0 40 DDAB COCCCNC(=O)C1CCN(Cc2c(C)noc2C)CC1 56308226 HZBQOCUWZALKKX-UHFFFAOYSA-N 309.410 1.656 0 40 DDAB COC(=O)[C@@H](OC(=O)Cn1c(C)csc1=O)c1ccccc1 26204653 UIADGGDXKUUDEQ-ZDUSSCGKSA-N 321.354 1.676 0 40 DDAB Cc1cc(C)n2nc(SCc3nnnn3C3CC3)nc2n1 44071375 BRQSFSGQDPBCFY-UHFFFAOYSA-N 302.367 1.355 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cnccn1 22517039 XFSDDSZTSLWRLU-UHFFFAOYSA-N 304.394 1.242 0 40 DDAB CCOC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 1791527 VBOKEVSPBJYGQY-SSDOTTSWSA-N 310.375 1.473 0 40 DDAB CC(=O)N1CCN(C(=O)NCc2ccc(Cl)s2)CC1 48273362 VDSFBQWWBGQEPX-UHFFFAOYSA-N 301.799 1.775 0 40 DDAB CC[C@](C)(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)OC 58181852 CPWMAVCVPYESHM-INIZCTEOSA-N 318.377 1.657 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2cc(C)on2)C3)n1 107710231 DJHZKOAHDLXFBY-IUODEOHRSA-N 318.333 1.247 0 40 DDAB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCNC(=O)C1 44959822 CGJHEZYBNYEDNV-ZDUSSCGKSA-N 304.390 1.844 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)on1 44909150 JEQVJINDWPPHQN-LBPRGKRZSA-N 322.386 1.775 0 40 DDAB COc1ncccc1NC(=O)CCS(=O)(=O)C1CCCC1 44954496 IUHRHJQSINNZCO-UHFFFAOYSA-N 312.391 1.776 0 40 DDAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)[C@H]1CCCO1 27889644 RNSOGSANSPCYGB-IUODEOHRSA-N 300.362 1.624 0 40 DDAB CCN(CC)C(=O)C1CCN(C(=O)Cn2cc(C)cn2)CC1 58381965 IYILTSAFEQQDGD-UHFFFAOYSA-N 306.410 1.299 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](C)N1C[C@H](C)O[C@H](C)C1 58393368 WIQMKCXRZFXYNH-MELADBBJSA-N 323.485 1.382 0 40 DDAB CCN1CCC[C@H](CNC(=O)Cc2cn3ccsc3n2)C1 58430858 BHKWNTKTNDTHBS-GFCCVEGCSA-N 306.435 1.786 0 40 DDAB CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 58405788 KTQJMMRBHHZLFJ-DOTOQJQBSA-N 316.449 1.906 0 40 DDAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CC[C@@H](C(N)=O)C1 45120631 CGIYCJWULAPBBB-NWDGAFQWSA-N 305.378 1.581 0 40 DDAB Cc1cnn(C2CN(CC(=O)Nc3ccc(Cl)cn3)C2)c1 69902049 HSIJASPNBMATGM-UHFFFAOYSA-N 305.769 1.735 0 40 DDAB O=C1CCCN1c1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1 45743156 RACXYIXYIWKQAC-LBPRGKRZSA-N 324.402 1.128 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 3462053 LSKVJVSCWJJYBH-INIZCTEOSA-N 303.362 1.370 0 40 DDAB C[C@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NC(C)(C)C 12991579 HRFUOLTZEUYMRZ-ZETCQYMHSA-N 312.399 1.113 0 40 DDAB c1csc(-c2n[nH]c(Sc3ccc4nnnn4n3)n2)c1 13000809 DJRHTBLLRVJIHP-UHFFFAOYSA-N 302.348 1.517 0 40 DDAB CCOC(=O)c1cnc2nc(-c3ccc(OC)cc3)nn2c1O 8738979 POXMDSNOQZRMOI-UHFFFAOYSA-N 314.301 1.682 0 40 DDAB Cc1noc2ncc(C(=O)NCC(C)(C)N3CCOCC3)cc12 65378021 RMDKAFYJBNSBCL-UHFFFAOYSA-N 318.377 1.372 0 40 DDAB Cc1oc(C)c(C(=O)N2CCNC(=O)C2)c1Br 65464141 PKESIWXMSZWOFW-UHFFFAOYSA-N 301.140 1.231 0 40 DDAB CCn1cc(C2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)cn1 65462694 MXNWVTIPLPROPV-CQSZACIVSA-N 320.437 1.330 0 40 DDAB CCc1ccc(-c2nnc(SCC(=O)NC(=O)NC)o2)cc1 14196798 FSKNXBSKVDZORC-UHFFFAOYSA-N 320.374 1.847 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)NCCc1ccco1 14168122 SRZWKCOTUMSLTC-UHFFFAOYSA-N 322.386 1.307 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1 66016143 WLJYTOIYLPAORG-FZMZJTMJSA-N 306.362 1.569 0 40 DDAB O=C(NCCc1cccc(O)c1)NCc1nc(C2CC2)no1 66232674 IGSFZTOVOUQRMO-UHFFFAOYSA-N 302.334 1.695 0 40 DDAB C[C@H](Sc1nncs1)C(=O)Nc1sccc1C(N)=O 7816452 LIKSHORYUVCFQE-YFKPBYRVSA-N 314.417 1.818 0 40 DDAB CC1CCC(NC(=O)Cn2c(-c3cccnc3)noc2=O)CC1 68920288 BBLIXQYLBKDYLJ-UHFFFAOYSA-N 316.361 1.593 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164968 YOSQVIZRCPFPLC-UKRRQHHQSA-N 322.430 1.317 0 40 DDAB O=C(COC[C@H]1CCCO1)Nc1ccc2[nH]c(=O)sc2c1 81781910 BKJPOQLSRZLMGQ-SNVBAGLBSA-N 308.359 1.724 0 40 DDAB C[C@H]1CN(CC2CCCC2)CCN1c1ccc2nncn2n1 69458748 SLYOOWVBJOKKLO-ZDUSSCGKSA-N 300.410 1.825 0 40 DDAB Cc1nnc2n1CCN(C(=O)Cc1cccc3cccnc13)C2 69484989 ZVMUWVAQYRJEDY-UHFFFAOYSA-N 307.357 1.720 0 40 DDAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)Cc1ccccc1F 69535791 FABMCJDMKKZVSL-CQSZACIVSA-N 322.405 1.796 0 40 DDAB c1ncn(C[C@H]2CCCN2Cc2nc(-c3ccoc3)no2)n1 69601706 BHGFVIJRMDSCOW-GFCCVEGCSA-N 300.322 1.586 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)c1ncc(Br)cn1 69705410 UGYRMOVLZRSEEK-QMMMGPOBSA-N 322.228 1.499 0 40 DDAB CC(C)c1noc(CCNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 96421556 DANGGFNPRAEQLQ-UHTWSYAYSA-N 322.409 1.848 0 40 DDAB Cc1cnc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)s1 9503745 OFAOTPUHZILGPU-ZDUSSCGKSA-N 308.363 1.111 0 40 DDAB Cn1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)cn1 71892312 UDJREXGKKPOBTH-UHFFFAOYSA-N 314.389 1.257 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@@H]1Cn1cccn1 71865357 ZUMLNWYUWCDISO-XHSDSOJGSA-N 321.421 1.848 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 71871430 CPKDBWAWEMMFDN-APHBMKBZSA-N 322.836 1.969 0 40 DDAB CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)NCCn2cccc2)C1 84440325 AZQNPZDHTDWWCU-GJZGRUSLSA-N 320.437 1.871 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nnnn1C1CC1 72268627 QLDZNIXKWQJTEO-KGLIPLIRSA-N 318.425 1.373 0 40 DDAB Cc1ccccc1OCCN(C)CCCN1CCN(C)CC1 95398719 MFGPITYAYBLLCA-UHFFFAOYSA-N 305.466 1.943 0 40 DDAB C[C@H](C(=O)N1CCN(C(=O)c2cccnc2)CC1)n1cccc1 95448048 DHAPLKBMZUPIHD-CQSZACIVSA-N 312.373 1.429 0 40 DDAB Cc1cnc(C(=O)Nc2cc(Br)c(=O)n(C)c2)cn1 88213938 QJRZOMWVVDQTSD-UHFFFAOYSA-N 323.150 1.499 0 40 DDAB CN1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3F)c2)C1=O 88419804 GYLIMQLLLLAJJI-GFCCVEGCSA-N 317.324 1.364 0 40 DDAB CCCCCS(=O)(=O)N1CCC[C@H](CN2CCOCC2)C1 95939964 PWCXIVBKUKPODY-OAHLLOKOSA-N 318.483 1.551 0 40 DDAB CN(C)C(=O)COC1CN(Cc2cc(Cl)nc(Cl)c2)C1 75093970 VMFIWPYCAWJJOX-UHFFFAOYSA-N 318.204 1.677 0 40 DDAB CC(C)n1nccc1NC(=O)CN[C@@H](C)[C@H](C)n1cccn1 75133914 KXRZDTMIAXEUHU-STQMWFEESA-N 304.398 1.838 0 40 DDAB Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)no1 89600976 NGHMQPIAYDVSFK-UHFFFAOYSA-N 303.274 1.050 0 40 DDAB CC[C@@H](C(=O)N1CCC(N2CCC[C@@H]2C)CC1)N1CCCC1=O 89941856 LDDLBLODFLXTTG-HOCLYGCPSA-N 321.465 1.863 0 40 DDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)CCC(C)C)C2 306129452 IDSXPVALCURSDN-CYBMUJFWSA-N 317.451 1.475 0 40 DDAB CC(=O)N[C@@H](N1C[C@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl 33909676 INQURHWBKQKKHZ-ZKWXMUAHSA-N 303.617 1.928 0 40 DDAB Cn1nc(C2CN(CC3(O)CCCCC3)C2)c2nccnc21 72366731 WHTDGOGQQYINPM-UHFFFAOYSA-N 301.394 1.458 0 40 DDAB OCc1nnn2c1CN(c1ccnc(Cc3ccccc3)n1)CC2 519845375 CDGYYDVXZYEUIT-UHFFFAOYSA-N 322.372 1.171 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](N)C1 3874569 VSZGPKBBMSAYNT-KKUMJFAQSA-N 312.410 1.285 0 40 DDAB biogenic CC(C)(F)CNC(=O)N1CCC(CN2CCNC2=O)CC1 1553225350 SJAHBBOYGGAXRD-UHFFFAOYSA-N 300.378 1.181 0 40 DDAB O=C1CC[C@H](C(=O)NCCCO[C@@H]2CCCc3ccccc32)N1 72821169 BCSGIYHKBMVENC-HZPDHXFCSA-N 316.401 1.866 0 40 DDAB COc1ccc([C@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218101891 QZTGSBKLXUUZFV-HRCADAONSA-N 303.383 1.962 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2nccs2)[C@H](C(=O)O)C1 72203308 XRRUPNGLQUZZBC-VIFPVBQESA-N 313.379 1.653 0 40 DDAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cn1cnnn1 187062167 DVBVCDKUZCKDEE-GXFFZTMASA-N 321.768 1.315 0 40 DDAB O=C(NCCC(=O)N1CCOc2ccccc2C1)c1ccc[nH]1 79034857 UJEBBLVKMNIGNT-UHFFFAOYSA-N 313.357 1.556 0 40 DDAB CC(C)c1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)n[nH]1 79052171 CCJIVJRGCDLHSJ-UHFFFAOYSA-N 301.412 1.476 0 40 DDAB CC(=O)Nc1cccc(OCc2ncc(C(=O)O)c(=O)[nH]2)c1 217381874 DNASIPBCUREOFL-UHFFFAOYSA-N 303.274 1.006 0 40 DDAB CN1CCC(c2cccc(C(=O)N3CCC[C@@H](O)C3)n2)CC1 72355760 BDSHDIFBIFAGEE-CQSZACIVSA-N 303.406 1.488 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCCc1ccc(OC2CCCC2)cc1 79334812 BQQOHGTYBWIBRH-GFCCVEGCSA-N 319.405 1.724 0 40 DDAB CC(C)(C)n1cnc(C(=O)N2CCCN(CC3CCC3)CC2)n1 562707683 PLNLYKADYQFVDX-UHFFFAOYSA-N 319.453 1.981 0 40 DDAB Cc1cccc(OC[C@@H](O)CNC(=O)Cn2cc(C)cn2)c1 77613460 IZUVRFNBKYLTQW-AWEZNQCLSA-N 303.362 1.056 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@H]1[C@@H]2CCc3ccccc3[C@@H]12 195546417 TYSBDMDLJCGTSG-RLFYNMQTSA-N 316.401 1.183 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCc1cccc(C(=O)O)c1 225448143 GUQZBGNBBLIHJB-UHFFFAOYSA-N 315.373 1.637 0 40 DDAB COCc1nc([C@@H]2CCCCN2CCc2ccnn2C)n[nH]1 574556588 CFYJAFAGHOAQCI-ZDUSSCGKSA-N 304.398 1.454 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2ccco2)C1 96227190 OZIFHBOHZOJGOP-CJNGLKHVSA-N 305.378 1.726 0 40 DDAB CS(=O)(=O)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 96109205 CPECKMAGFUUABF-CABCVRRESA-N 317.451 1.491 0 40 DDAB COCCN(C)c1ccccc1CNC(=O)[C@H]1OCC[C@H]1C 97228731 VJIQAPIZIJJEAO-CJNGLKHVSA-N 306.406 1.810 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(c4nnc(C)s4)C[C@H]3O2)n1 96042732 KIMDNVITJMPJNI-HBNTYKKESA-N 307.379 1.894 0 40 DDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccncc1 96041489 WJAVFLSQMOOMFT-ARFHVFGLSA-N 319.405 1.032 0 40 DDAB Cc1nc2ncnn2c(N2CCN(C[C@@H]3CCCO3)CC2)c1C 96453192 HJOSGYPIVNDJAA-AWEZNQCLSA-N 316.409 1.042 0 40 DDAB O=C(Cc1ccsc1)N1CC[C@@]2(CCN2c2ncccn2)C1 96228704 FFWJHZODIGOTKW-MRXNPFEDSA-N 314.414 1.962 0 40 DDAB COCCO[C@H]1CCCN(C(=O)Cc2c(C)nn(C)c2C)C1 330387464 BJRDTITWHKDEEV-AWEZNQCLSA-N 309.410 1.233 0 40 DDAB CCOC(=O)[C@]12CCCN(CC3CC3)C[C@H]1CN(CCOC)C2 96055967 WPVIHOWLADBJKN-WMZOPIPTSA-N 324.465 1.620 0 40 DDAB C[C@@H](Cn1cnnc1[S@](C)=O)C(=O)c1ccc(F)c(F)c1 97238412 AMGKEKYPSWCBHR-HXNGOWOSSA-N 313.329 1.813 0 40 DDAB CC1CCC(N(C[C@H]2CCCO2)C(=O)Cn2cnnn2)CC1 96425772 FKSQFAXOWGGBJL-JXQTWKCFSA-N 307.398 1.259 0 40 DDAB CC[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CCS1 93502276 FXEQVMKNFULJKC-HNNXBMFYSA-N 321.494 1.556 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2ncnc(-c3cccnc3)c2CC1 96255332 MAIQXFWCHGPTGA-MRXNPFEDSA-N 324.384 1.645 0 40 DDAB CCOC(=O)[C@@H](N)[C@@]1(N2CCOCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242677049 SWNZLWUXFFBWHH-KNCCTNLNSA-N 324.465 1.794 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3ccnnc3)CCO2)ncn1 257293842 QRKGVUBULJPCPJ-HNNXBMFYSA-N 313.361 1.049 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2c(C)n[nH]c2C)[C@H]1O 257242191 IBLXDKLFSKAERJ-IIAWOOMASA-N 309.410 1.346 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cnccn2)n1 257227676 FQJSYUIREJGDBP-ZDUSSCGKSA-N 300.366 1.190 0 40 DDAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 257210256 BTVGAZVXQZOLAW-AWEZNQCLSA-N 318.421 1.827 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O 257200285 ACTGSBKZVCXZSJ-RBSFLKMASA-N 301.346 1.033 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(c3cc(C)ncn3)CC2)C1 257340019 ZEDLTETUKOOALR-OAHLLOKOSA-N 318.421 1.781 0 40 DDAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)CO)CC2)C1 257212904 CFJWQFYGGLYEGW-OAHLLOKOSA-N 304.390 1.265 0 40 DDAB O=C1NCCC[C@@H]1NC(=O)C1(Cc2ccccc2)CCOCC1 257212054 CBSKZZHAPYMBDD-HNNXBMFYSA-N 316.401 1.421 0 40 DDAB O=C1CCCN1c1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)cc1 257285404 PGYHHETVBWRILY-WMZOPIPTSA-N 316.401 1.539 0 40 DDAB Cc1c(C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)nnn1C 278541137 SAINMMSKKYPXDC-UHFFFAOYSA-N 300.366 1.681 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(-n2cnnn2)c1 378204827 MLWJVRABXROACA-HOTGVXAUSA-N 321.340 1.050 0 40 DDAB O=C(C1CC(O)C1)N1CCO[C@]2(CCC[C@H]2COCC2CC2)C1 585101946 KOHNVHBTIRWFGK-VLWBHCEFSA-N 323.433 1.582 0 40 DDAB Cn1nnnc1CCNC(=O)N1CCCC2(CCCC2)CC1 664571063 DPWBUVLVLNHKGJ-UHFFFAOYSA-N 306.414 1.509 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@](O)(COc2cccc(F)c2)C1 585278621 UQVVSLBUIXHONY-CQSZACIVSA-N 317.382 1.380 0 40 DDAB CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)CNC(C)=O)C1 585274996 SWBWRGQAOWZYAG-KRWDZBQOSA-N 320.389 1.127 0 40 DDAB CN(C)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)cn2cccc12 585178771 WXHDYMXTEFQSCH-GFCCVEGCSA-N 322.434 1.539 0 40 DDAB Cc1noc(CCNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)n1 590168840 XSFBMBDFBJZAQK-NSHDSACASA-N 304.354 1.233 0 40 DDAB COC(=O)CNc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 55895252 VSDLQWBUPDGKNJ-TXEJJXNPSA-N 306.362 1.521 0 40 DDAB CCOc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)cn1 56325874 VIFRXYKMKWMKEE-UHFFFAOYSA-N 314.345 1.901 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)c1cnn(C)c1)CC2 56462218 YONMJLCNSUTJCI-UHFFFAOYSA-N 315.373 1.678 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)cc1C 59402498 JOFANWZXZLDDRE-CQSZACIVSA-N 324.446 1.211 0 40 DDAB COc1ccnc(N2CCN(c3cnc4ccccc4n3)CC2)n1 108237276 KASMRZWLBGFQOX-UHFFFAOYSA-N 322.372 1.755 0 40 DDAB O=C(CN1C(=O)CCC1=O)N1CCc2sc(Cl)cc2C1 575608138 ZZCBZPOREUZAMR-UHFFFAOYSA-N 312.778 1.435 0 40 DDAB COCCN[C@@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5743237 NFCUFXFYLINNSD-HNNXBMFYSA-N 316.357 1.858 0 40 DDAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnccn1 12185265 IYLAIUJIIOEURL-ZDUSSCGKSA-N 323.356 1.395 0 40 DDAB O=C1NCC2(CCN(C(=O)C3CC3)CC2)Oc2ccccc21 19374810 ALMVPNKGDSAQGK-UHFFFAOYSA-N 300.358 1.580 0 40 DDAB Cc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 1888899149 GOUADHUEDZAPET-UHFFFAOYSA-N 302.407 1.841 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1)C1CC1 1889104483 QSUYYVOJPJDVMC-GFCCVEGCSA-N 322.434 1.405 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nc3ccc(F)cc3s2)CCO1 1889108485 SYFRWOMTMCZUTO-GFCCVEGCSA-N 321.377 1.919 0 40 DDAB COc1cc(CN2CCN(c3cnsn3)CC2)cc(OC)c1 1889125000 HLEZFVKLZKUAIC-UHFFFAOYSA-N 320.418 1.878 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C)Cn2cccn2)cc1OC 31055334 ZFSNOTCQOPKCNG-GFCCVEGCSA-N 318.377 1.788 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccc(Cl)cc1 36885509 NFBCACWFLXYSSP-UHFFFAOYSA-N 303.767 1.825 0 40 DDAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CC[C@@H](O)C1 95432996 OXAFDVMGEZIPJU-GFCCVEGCSA-N 304.799 1.083 0 40 DDAB CC1CCN(C(=O)[C@]23C[C@@H]2CCN3C(=O)c2cncnc2)CC1 2056225230 KLGSFOHNBKOHIN-YOEHRIQHSA-N 314.389 1.340 0 40 DDAB COCc1cncc2c1CCN(C(=O)Cc1nc(C)no1)C2 1565547863 OVTFLVCFABIPTK-UHFFFAOYSA-N 302.334 1.047 0 40 DDAB O=C(C1CC(O)C1)N1C[C@H]2C[C@H]1C[C@H]2OCc1cccnc1 1565553795 JOCLQOOCEOTBFP-KVDYFSNESA-N 302.374 1.359 0 40 DDAB CN(C)CCCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1 4745655 YRMTWUBTVBSTEO-UHFFFAOYSA-N 318.333 1.147 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1 2086884780 YNGXFMHLYJWELR-GFCCVEGCSA-N 313.423 1.338 0 40 DDAB CCN1C(=O)C[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1OC 26496211 SNPVIQKGQCLQJF-WFASDCNBSA-N 306.362 1.359 0 40 DDAB Cc1n[nH]c(NC(=O)/C=C(/Nc2nc(C)n[nH]2)C(F)(F)F)n1 101512961 WJDNLACYHVGJKQ-ZZXKWVIFSA-N 316.247 1.036 0 40 DDAB Cc1cccc(OCC(=O)N[C@H](CC(C)C)C(=O)N(C)C)c1 40536301 DRASHBRBTLSONQ-OAHLLOKOSA-N 306.406 1.993 0 40 DDAB Cc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)c(C)c1 257867 QXYDEVOURBANIZ-PWSUYJOCSA-N 322.386 1.080 0 40 DDAB CCO[C@@H]1C[C@H](N(C)CCCS(N)(=O)=O)C12CCCCC2 76040606 YYCIGCLTILESMT-UONOGXRCSA-N 318.483 1.725 0 40 DDAB COCCN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O 78412468 KQSMCQDJLSVVNW-ZDUSSCGKSA-N 300.717 1.893 0 40 DDAB CCOC(=O)C(NC(=O)c1cc2sccc2[nH]1)C(=O)OCC 1601588 BYCOGLLOPHYECB-UHFFFAOYSA-N 324.358 1.454 0 40 DDAB O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc[nH]1 78869605 ROVSGDVWYKTDET-UHFFFAOYSA-N 323.349 1.847 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2nccs2)CC1 47027395 DLWNWJYIGMNKPP-LBPRGKRZSA-N 320.422 1.260 0 40 DDAB CC(C)OC(=O)CSc1nnc(-c2ccccc2F)n1N 532616 CWLMIZCWLHCXLV-UHFFFAOYSA-N 310.354 1.842 0 40 DDAB Cc1noc(C)c1CCC(=O)NC[C@@H](C(C)C)N1CCOCC1 41870675 WFOKMNZEGGDSLE-INIZCTEOSA-N 323.437 1.697 0 40 DDAB O=C(NC(C1CC1)C1CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 42012611 HHKCVNYPJMFWGS-ZDUSSCGKSA-N 302.374 1.933 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 100634903 PWBCMFRVRQSIEB-UUIJZJDISA-N 323.707 1.850 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC(C2CC2)C2CC2)C1=O 22885920 YZOWZXRKUFCWDR-INIZCTEOSA-N 305.378 1.012 0 40 DDAB COc1ccc(F)cc1CN1CCN(CC(=O)NC2CC2)CC1 23287811 DACNVUQKHKFGEN-UHFFFAOYSA-N 321.396 1.231 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 42865924 RAOHASKVHPCEAS-MFKMUULPSA-N 303.362 1.720 0 40 DDAB CNC(=O)COc1ccccc1CN[C@@H](C)[C@H](C)n1cccn1 69372424 VWVQGXOJNIILAT-KBPBESRZSA-N 316.405 1.747 0 40 DDAB Cc1cc(C)n(CCC(=O)N[C@@H]2CCCc3c2cnn3C)n1 24993840 VBFQXSANGWWECO-CQSZACIVSA-N 301.394 1.817 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 48088629 CEOQPTVFYYKPJE-NSHDSACASA-N 314.307 1.972 0 40 DDAB CC(C)NC(=O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1 54399082 UAYHSCQWHHMNSH-UHFFFAOYSA-N 322.384 1.182 0 40 DDAB NC(=O)CCCOC(=O)c1c[nH]nc1-c1c(F)cccc1F 97147534 KMLNRJMDTAVKFT-UHFFFAOYSA-N 309.272 1.777 0 40 DDAB CCOCC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 103943667 BAUOAFXZIBDLGH-YDHLFZDLSA-N 324.352 1.394 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@H]2C[C@@H](CN(Cc3ccco3)C2)C1 108803032 QDWDYMDOWJPNOR-SOUVJXGZSA-N 304.390 1.596 0 40 DDAB Cc1noc([C@H](C)N2CCC(C(=O)N3CCOCC3)CC2)n1 44584668 HUZYQKMUTMLOGA-NSHDSACASA-N 308.382 1.010 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 3356056 HYFHREOUADKXDP-SSDOTTSWSA-N 307.755 1.351 0 40 DDAB O=S(=O)(NC[C@@H](O)COCc1ccco1)c1cccs1 3308388 JGYNBZUWTGQZNY-SNVBAGLBSA-N 317.388 1.197 0 40 DDAB COc1ccc(OC[C@@H](O)CN2C(=O)CC(C)(C)C2=O)cc1 58108961 WNUMVHIFOLNQIK-NSHDSACASA-N 307.346 1.220 0 40 DDAB C[C@H](NS(C)(=O)=O)c1cc(F)ccc1N1CCN(C)CC1 58266097 VUGAETNBQFIIQW-NSHDSACASA-N 315.414 1.188 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1nncs1 44936936 CEBQAKHNRIPEEI-UHFFFAOYSA-N 315.362 1.783 0 40 DDAB COCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 44945393 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69418002 AAQZRKCJENZQDC-LRDDRELGSA-N 302.374 1.522 0 40 DDAB COC(=O)c1sccc1NC(=O)CNC(=O)c1ccccc1 4090237 FWXNYNPDKKRPFC-UHFFFAOYSA-N 318.354 1.903 0 40 DDAB CCN(CC(=O)NC[C@H]1CCCO1)Cc1cccc2c1OCO2 69512183 RPEPURFYOPVETQ-CQSZACIVSA-N 320.389 1.532 0 40 DDAB CNC(=O)C1(C(=O)NCCn2c(C)nc3ccccc32)CCC1 69615839 AQGKNHKYOARDSO-UHFFFAOYSA-N 314.389 1.377 0 40 DDAB NC(=O)COC(=O)c1ccn(-c2cccc(Br)c2)n1 69738152 LWOVQPRTIOELPB-UHFFFAOYSA-N 324.134 1.277 0 40 DDAB O=C(CN1CCC[C@@H]1CO)N(Cc1ccco1)CC(F)(F)F 69738756 NKMXUGGMBFJJPF-LLVKDONJSA-N 320.311 1.627 0 40 DDAB CCN1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 65440928 XWHLOUPNDKPEEG-UHFFFAOYSA-N 321.377 1.141 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cnccn2)C1 17823156 IYDOILMKULVESH-CYBMUJFWSA-N 310.357 1.968 0 40 DDAB O=C(O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 65534254 VVLNZOCOBIJHES-UHFFFAOYSA-N 320.305 1.196 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1Cl 14136260 MUEMFEGBDBTENA-SECBINFHSA-N 307.737 1.067 0 40 DDAB CC1=C(C(N)=O)[C@@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 4574727 LGXKFFHMJAHOJS-CQSZACIVSA-N 319.430 2.000 0 40 DDAB Cc1nc([C@H](NC(=O)COCC2CC2)c2ccccc2)n[nH]1 69812361 MQWZIWVGRZTZFL-OAHLLOKOSA-N 300.362 1.745 0 40 DDAB O=C(Nc1c[nH]ccc1=O)c1cc(Cl)ccc1-n1cnnn1 69849577 JVJAUPIFANWHDB-UHFFFAOYSA-N 316.708 1.256 0 40 DDAB COCCN1CCN(Cc2nnc(-c3occc3C)o2)CC1 69842981 RALXBVLRXHGAGD-UHFFFAOYSA-N 306.366 1.402 0 40 DDAB O=C1NCCN1[C@H]1CCCN(Cc2cccc3c2OCO3)C1 92188544 LHDFDFNXSPMSNV-ZDUSSCGKSA-N 303.362 1.405 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 5878835 VCAVPTFGDLTBGC-UHFFFAOYSA-N 317.345 1.433 0 40 DDAB c1ccc(-n2ncc(CN3CCC[C@@H](Cn4cncn4)C3)n2)cc1 69919109 AOFAFRBOVVLWNB-OAHLLOKOSA-N 323.404 1.771 0 40 DDAB Cn1ccs/c1=N\C(=O)CCN1C(=O)c2ccccc2C1=O 6947911 LXPJSSZNYXRPPM-NXVVXOECSA-N 315.354 1.200 0 40 DDAB Cc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1 7917241 GXHCOKBJKVBPFA-UHFFFAOYSA-N 315.329 1.073 0 40 DDAB Cc1nc2ccc(NC(=O)[C@H]3CCS(=O)(=O)C3)cc2s1 7958525 JTHABVIMZZYUIF-VIFPVBQESA-N 310.400 1.978 0 40 DDAB O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 8921409 PHFAFJARRQFKFM-QGZVFWFLSA-N 321.384 1.816 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408651511 CMQQBOKUNACDIX-RHZHCTOVSA-N 315.325 1.609 0 40 DDAB CCn1nc2c(cc1=O)CN(c1cnc3ccccc3n1)CC2 72302174 CJIOOWNEXHNNBY-UHFFFAOYSA-N 307.357 1.769 0 40 DDAB CC[C@@](NCC(=O)NCc1cccc(C)c1)(C(N)=O)C(C)C 96006555 JJQHOULZHUVRMT-KRWDZBQOSA-N 305.422 1.491 0 40 DDAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)O)n1C 72328112 SFYVDPSBNCGJRY-SECBINFHSA-N 320.374 1.483 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc3c(C)cccn23)C1 97235585 TYYCDGUEHMBWIC-CQSZACIVSA-N 322.434 1.156 0 40 DDAB COc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 71829862 YWZGJPZGKUXHJP-JSGCOSHPSA-N 304.390 1.740 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)c3csnn3)CC2)n1 71839639 QBWXIVQEMWXUIS-UHFFFAOYSA-N 322.394 1.003 0 40 DDAB CC1CCN(C[C@H](O)Cn2cnc3ccsc3c2=O)CC1 71825062 WSKZXTBQYAGVEJ-LBPRGKRZSA-N 307.419 1.551 0 40 DDAB Cc1csc(N2CCN(Cc3nnnn3C3CC3)C[C@@H]2C)n1 71863956 MKUXOGYRQUBCQF-NSHDSACASA-N 319.438 1.484 0 40 DDAB COC[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 83897984 VLMQVOJPUNKPNJ-LSDHHAIUSA-N 324.808 1.793 0 40 DDAB Cc1nn(C)cc1NC(=O)C(=O)NC[C@@H](C)c1cccs1 84044509 MGVUKMSPCNMQQB-SECBINFHSA-N 306.391 1.648 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1nccnc1N 72253189 KZBQQUJZWNDVOR-SECBINFHSA-N 320.784 1.731 0 40 DDAB Brc1cccc(Cc2noc(Cn3cnnn3)n2)c1 72274975 BIFQBZKGOOITSK-UHFFFAOYSA-N 321.138 1.458 0 40 DDAB Cc1nnc2ccc(N3CCN(C4=NC[C@@H](C)S4)CC3)nn12 95407802 GDTVSABMXOBKOH-SNVBAGLBSA-N 317.422 1.046 0 40 DDAB C[C@H]1CCC[C@@H](C)CN1S(=O)(=O)CCCS(C)(=O)=O 95961873 WUTBKOFBZPBLOM-NEPJUHHUSA-N 311.469 1.261 0 40 DDAB C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](c2ccco2)C1 95941725 ZGDSTOWEMFGLGM-ZIAGYGMSSA-N 319.405 1.353 0 40 DDAB OCCNC1CCN(c2ccnc(Cc3ccccc3)n2)CC1 95944359 GLBMOWNIDDAQFR-UHFFFAOYSA-N 312.417 1.618 0 40 DDAB O=S(=O)([C@H]1CCN(c2nc3ccccc3[nH]2)C1)N1CCCC1 95977461 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IFZHBBLWIXHJRF-KNPMLCFXSA-N 319.744 1.535 0 40 DDAB O=C(N[C@H](CO)Cc1cnc[nH]1)c1cc2ccc(Cl)cc2[nH]1 1558027519 QGJIGBJGQOCJTM-LBPRGKRZSA-N 318.764 1.878 0 40 DDAB CCCn1cc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)cn1 186313320 CFIVXIBYWXVWAE-ZDUSSCGKSA-N 302.382 1.552 0 40 DDAB CNC(=O)c1nc([C@@H]2CCCN2c2ncccn2)n2ccccc12 306135173 OJTAHGBHMJUZFK-ZDUSSCGKSA-N 322.372 1.825 0 40 DDAB Cc1cnc(C[C@H]2COCCN(Cc3nccn3C)C2)cn1 72388213 MDABJYYRLCSHJR-CQSZACIVSA-N 301.394 1.210 0 40 DDAB c1cnc(N2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)nc1 72355575 UGQDSLIZWFTABZ-CYBMUJFWSA-N 307.361 1.836 0 40 DDAB C[C@H]1Cc2cc(S(=O)(=O)NCc3cccnc3)ccc2N1 78403817 NBLXZHXMFUAJRI-NSHDSACASA-N 303.387 1.917 0 40 DDAB Cc1cc(O)nc(-n2ncc(C(=O)NC3CCCC3)c2C)n1 38670865 RADRSXQNBDWCQU-UHFFFAOYSA-N 301.350 1.657 0 40 DDAB CN(CC1CCN(CCO)CC1)C(=O)OCc1ccccc1 79410991 HYNGLPVQODQTBC-UHFFFAOYSA-N 306.406 1.959 0 40 DDAB CC(C)C(=O)Nc1cc(C(=O)NCCc2ccccc2)nn1C 46089075 AMSOOAHVIJVRPO-UHFFFAOYSA-N 314.389 1.987 0 40 DDAB COC(=O)CSc1nnc(NC(=O)C2CCCC2)s1 223015531 MWCISQBKILGBQL-UHFFFAOYSA-N 301.393 1.932 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)Cc2ccsc2)C1 225809033 QOWRYNFBGMESQH-LBPRGKRZSA-N 319.386 1.769 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1C1CCCCC1 41122935 DXBNEQANTIUKRV-UHFFFAOYSA-N 302.378 1.602 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1noc2c1CCCC2 195529625 GFPFXTFGXPKXFX-ZDUSSCGKSA-N 314.341 1.979 0 40 DDAB CC(C)CCCNC(=O)CN(C)S(=O)(=O)c1cccnc1 40516224 HZEAWXZRFHWSGX-UHFFFAOYSA-N 313.423 1.255 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@H]2CC[C@H](SC)C2)CC1 81473283 CZDXTYORQIOMKV-GJZGRUSLSA-N 313.511 1.757 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2ccccn2)s1 195575018 HATXFZHSBKGLBX-ZJUUUORDSA-N 303.391 1.690 0 40 DDAB CC(C)NC(=O)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188407 MBZYVYCKRDOVAB-CQSZACIVSA-N 305.426 1.529 0 40 DDAB COCCN1CCOC[C@@]2(CCCN(Cc3ccoc3)C2)C1 96049458 DDTSJKFJBRKERG-KRWDZBQOSA-N 308.422 1.840 0 40 DDAB CC[C@H](c1ccc(F)cc1F)N1CCN(CCC(N)=O)CC1 96435783 LXFJYQGDGYQSAE-OAHLLOKOSA-N 311.376 1.909 0 40 DDAB CC(C)c1cc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)nn1C 97232647 GUJFZESNYPBRCB-ZDUSSCGKSA-N 317.389 1.583 0 40 DDAB CN(C)Cc1cn2c(n1)CN(S(=O)(=O)c1ccccc1)CC2 96197160 TWSYFLOZOUDWRW-UHFFFAOYSA-N 320.418 1.149 0 40 DDAB COc1ccc(CN2CCn3c(Cn4cncn4)cnc3C2)cc1 96061828 IWGQJAIBWJGAML-UHFFFAOYSA-N 324.388 1.547 0 40 DDAB C[C@H]1CN(C(=O)CN2CCCCC2=O)[C@H](c2ccccc2)CO1 96433374 YHWYCRFDFKIGBH-HOCLYGCPSA-N 316.401 1.988 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)CC1 331869214 LPMSUCLGEMXJOT-NSHDSACASA-N 309.332 1.837 0 40 DDAB CN(C)CCn1c2c(ccc1=O)C[C@H](NCc1ccco1)CC2 96189627 IMWJLHMAWLSAMD-OAHLLOKOSA-N 315.417 1.650 0 40 DDAB CN1CCN(c2ccc3ccc(C(=O)N4CCCO4)cn23)CC1 96038366 YQBNFRKOZNWJPC-UHFFFAOYSA-N 314.389 1.469 0 40 DDAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)c1 256046109 CSJQOOOEKONOCT-UHFFFAOYSA-N 315.377 1.334 0 40 DDAB CCn1cc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)n1 257223366 DXANXEDRLKRGMD-HOCLYGCPSA-N 307.394 1.622 0 40 DDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N2CCCC2)c1 257276805 NVEOZLKXXZDLBY-UHFFFAOYSA-N 312.373 1.744 0 40 DDAB Cc1cccc(OC[C@H](O)CN2CC[C@H](c3nccn3C)C2)c1 540464014 LKVVTESQLBJRLA-JKSUJKDBSA-N 315.417 1.958 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)C(C)C)CCN1Cc1ccccc1 257341791 ZLZCFRAEXCXXPA-OAHLLOKOSA-N 303.406 1.101 0 40 DDAB O=C(CCCc1ccncc1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257227009 FNFUFTUMDGSKNS-JFIYKMOQSA-N 317.433 1.508 0 40 DDAB O=C(C1CCC(F)(F)CC1)N1CC[C@H](O)[C@]2(CCCO2)C1 257224349 FBLKHOWUBVZJAF-JSGCOSHPSA-N 303.349 1.954 0 40 DDAB CCCc1cc(C(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)no1 257255549 KHWZMYQEEBHBHS-CQSZACIVSA-N 318.377 1.883 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 53203064 YJANUWFZUIYALH-VIFPVBQESA-N 306.790 1.852 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@H](Cc3ccn[nH]3)C2)CC1 257343294 ZSHRZYLCGCXRGR-OAHLLOKOSA-N 320.437 1.038 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 262382104 HBGSSZSLEXRJSV-SNVBAGLBSA-N 301.339 1.619 0 40 DDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)Nc2ccsc2)C1 285790184 NLCSNMBNKTZHFE-STQMWFEESA-N 323.418 1.992 0 40 DDAB COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1OCCO 390834059 RBNSWWCKGDVPBS-YPMHNXCESA-N 309.362 1.364 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575405046 QWTFGWIWBRFGLP-GFCCVEGCSA-N 314.345 1.257 0 40 DDAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3ncc[nH]3)C2)cc1 585277791 XYGWOAAVTZTZBW-KRWDZBQOSA-N 317.389 1.360 0 40 DDAB CC(C)c1nccn1CC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585288667 HCFWKNLXBYIDPE-INIZCTEOSA-N 305.378 1.357 0 40 DDAB CS(=O)(=O)N1CCC(Cc2ccc(-c3cc[nH]n3)nc2)CC1 585180201 RSFNNXKQRCRZIA-UHFFFAOYSA-N 320.418 1.686 0 40 DDAB COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)C1CCCC1 52827692 JTEMNGNPPGGVRS-UHFFFAOYSA-N 305.382 1.048 0 40 DDAB CSc1ncc(Br)c(N2CCC[C@@H]2C(N)=O)n1 1889059899 FBMPDHLHQGNBSO-SSDOTTSWSA-N 317.212 1.415 0 40 DDAB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(C)c2C)C1=O 5568814 IPQKYKHVXKCKJP-UHFFFAOYSA-N 319.361 1.416 0 40 DDAB O=C(Cn1cnnn1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181170 VQVUQXLECYVETG-LQDVMPOASA-N 315.352 1.749 0 40 DDAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N)CC1(CCOCC1)O2 12337517 WBXSWGUVHAYREP-OCCSQVGLSA-N 304.390 1.831 0 40 DDAB CCc1ccc2c(COC(=O)[C@@H](C)NC(C)=O)cc(=O)oc2c1 12797498 FVUGHPDCIHQSNA-SNVBAGLBSA-N 317.341 1.923 0 40 DDAB O=C([C@@H]1CN(c2ncc(Cl)cc2F)CCO1)N1CCCC1 1889096228 IZASWRZBQNHGLK-LBPRGKRZSA-N 313.760 1.702 0 40 DDAB C[C@@H](c1ccccc1)N1CCO[C@H](C(=O)N2CCOCC2)C1 1889119654 UXXPCKUGDCAOJO-HOCLYGCPSA-N 304.390 1.307 0 40 DDAB O=C1[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2CCN1c1cccnc1 1565546208 WRBXMPMKJLGYFY-GXTWGEPZSA-N 317.364 1.785 0 40 DDAB CC1CC(C(=O)N2CCOC[C@@]3(C[C@H](CN(C)C)CO3)C2)C1 1565548507 DGWMWPKMDHDKIR-CLKYRPBMSA-N 310.438 1.228 0 40 DDAB CCOC(=O)Cc1nnc(NC(=O)c2ccc(OC)cc2)s1 1298189 QAYYSMWSKWDFCK-UHFFFAOYSA-N 321.358 1.905 0 40 DDAB Cc1ccccc1NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 4941460 GTTWNRJWFTZOCK-ZDUSSCGKSA-N 318.373 1.735 0 40 DDAB O=C(NCc1ccc(-c2ccsc2)o1)C(=O)Nc1ccon1 575610043 JJVZOMOXYMHCBD-UHFFFAOYSA-N 317.326 2.251 0 40 DDAB CN(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccncn3)C2)cc1 575610564 KTUAPLOEEYZPOL-OAHLLOKOSA-N 312.373 1.836 0 40 DDAB NC(=O)Cc1csc(NC(=O)Cn2ccc3ccccc32)n1 44450214 XFLUFPGRCAAMGW-UHFFFAOYSA-N 314.370 1.764 0 40 DDAB CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 30443092 WQYOBZLFIZMXHE-SNVBAGLBSA-N 314.407 1.603 0 40 DDAB COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccccc1 100503334 KDOGXAUFFUFBSX-ZDUSSCGKSA-N 304.371 1.911 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCS(C)(=O)=O 40464584 LBSDKJDMJKOAOS-GFCCVEGCSA-N 308.407 1.305 0 40 DDAB Cc1[nH]c2nc(NC(=O)c3ccccc3F)nn2c(=O)c1C 100650693 FZLIFLROIOTZCL-UHFFFAOYSA-N 301.281 1.426 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)NCCCn2nccc2C2CC2)n1 20616236 OJKDPHXJGVTSTB-UHFFFAOYSA-N 317.349 1.012 0 40 DDAB O=C(NCCCN1CCCC1=O)c1cn(-c2ccccc2)nn1 32645557 CTVDGEPZWQACDM-UHFFFAOYSA-N 313.361 1.010 0 40 DDAB CCOC(=O)C1=C(C)[C@@H](c2cc(OC)ccc2OC)NC(=O)N1 340002 DVMOVGXGFOXYTK-ZDUSSCGKSA-N 320.345 1.895 0 40 DDAB COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(N)=O)cc1 2630261 HYVXFIPUNPDWBJ-AWEZNQCLSA-N 307.394 1.437 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1cnn(-c3ccccc3)c1)CC2 69778484 WORQSOWAIQLOKB-HNNXBMFYSA-N 308.389 1.877 0 40 DDAB Cc1cccc(N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 52634836 ZUBHORMBAAHTQH-TZMCWYRMSA-N 310.419 1.441 0 40 DDAB CCc1nc(C)ncc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76054692 QKMZLACTHMDIKM-BLLLJJGKSA-N 318.421 1.140 0 40 DDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3ccccn3)C2)C1=O 76058886 WKJYTMJKJBAZFO-CXAGYDPISA-N 316.405 1.276 0 40 DDAB C/C(=C1/CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N 1999298 LLJDJQYGZBQFIF-DHZHZOJOSA-N 308.363 1.831 0 40 DDAB in-vitro COc1cccc(-n2nnc(C(=O)NC[C@H]3CCOC3)c2C)c1 41366003 PGODJEQMDIVKEV-GFCCVEGCSA-N 316.361 1.351 0 40 DDAB C/C(=C\C(=O)Nc1ccn(CC(N)=O)n1)c1ccc(F)cc1 96313731 SINAMHAJMKCMAL-CSKARUKUSA-N 302.309 1.550 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC(c3nc(C)no3)CC2)n1 53454817 WCJHACHXGQZTNN-UHFFFAOYSA-N 303.366 1.598 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)N(C)Cc1ccc2c(c1)OCO2 47029159 RUXSMPVCCGURCI-GFCCVEGCSA-N 316.361 1.842 0 40 DDAB C[C@@H](NC(=O)NCc1ccncc1)c1nnnn1-c1ccccc1 96406911 KXPUZWPKHKHZMC-GFCCVEGCSA-N 323.360 1.618 0 40 DDAB O=C(CN1CCCNC1=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 96414489 IXWRQZYWZVOGFQ-CVEARBPZSA-N 315.417 1.929 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)NCC[C@@H]1CCCO1 23189282 ZITYFDXAGRPFII-AWEZNQCLSA-N 321.373 1.962 0 40 DDAB CC1(C)NC(=O)N(CCCC(=O)NCc2ccc(F)cc2)C1=O 9836725 PBLJUNKWVJVQKY-UHFFFAOYSA-N 321.352 1.553 0 40 DDAB CC[C@H](CO)NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 42906421 HMXSNQKCKKQJER-CQSZACIVSA-N 317.393 1.454 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC(=O)O)C1CC1 37588954 VXKQFKIVROLOSR-UHFFFAOYSA-N 311.359 1.088 0 40 DDAB O=C(NC1CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107519299 RWWTZJJGUHOGPI-CVEARBPZSA-N 301.390 1.444 0 40 DDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCc2cccnc2)c1 24962659 WNWXMEOTOLSSTE-UHFFFAOYSA-N 319.386 1.692 0 40 DDAB CN1[C@@H](Cc2ccccn2)[C@H](O)c2ccccc2S1(=O)=O 35385066 VZYKVXKJYWQTMQ-DZGCQCFKSA-N 304.371 1.360 0 40 DDAB COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2nccs2)c1 57396563 CLTJDNSYEOQXKA-CYBMUJFWSA-N 319.386 1.838 0 40 DDAB O=c1[nH]/c(=C/C=C\c2ccccc2)c(=O)[nH]/c1=C\c1ccccc1 104203226 YLTIVBKUHJPOTM-JIDZCHAQSA-N 316.360 1.386 0 40 DDAB Cc1nc(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)sc1C 26897974 GNQRFMCMXRMWAJ-VIFPVBQESA-N 310.423 1.284 0 40 DDAB CCNC(=O)NC(=O)CNc1cccc(N2CCCC2=O)c1C 58162689 BFYHEHMZWPOVOZ-UHFFFAOYSA-N 318.377 1.379 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@H](c1cccs1)N(C)C 58231733 QWYLDCLEKGTJLB-GFCCVEGCSA-N 319.496 1.917 0 40 DDAB NC(=O)CN(CCc1nc2ccccc2c(=O)[nH]1)C1CCCC1 44978980 QRMQJRXTZAQTHQ-UHFFFAOYSA-N 314.389 1.196 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCC(C(=O)NC[C@H](C)O)CC2)n1 44950975 FKVFBIWIBZMYRT-NWDGAFQWSA-N 324.425 1.463 0 40 DDAB O=C(NCc1cccnc1)NC1CCN(c2ncccn2)CC1 44946396 GHIMGULMAMLLAJ-UHFFFAOYSA-N 312.377 1.340 0 40 DDAB COc1ccc2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 44908050 PMOOMHGWPVQTRP-JTQLQIEISA-N 322.386 1.341 0 40 DDAB CC1(C)COCCN1CC(=O)N1CCC(c2ccccc2)=N1 58357539 WDMLFJKHEQWPCU-UHFFFAOYSA-N 301.390 1.734 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccs2)on1 27991855 OKKAOKLBUYDABI-QMMMGPOBSA-N 312.372 1.320 0 40 DDAB CCCNC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10009946 WRYUKMLFRREOHC-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB O=C(C1CCCC1)N1CCCN(Cc2nnnn2C2CC2)CC1 36396627 BZARBDKLRDTSRW-UHFFFAOYSA-N 318.425 1.233 0 40 DDAB COc1ccc(-c2nnc(SCCN3CCCC3)n2N)cc1 36646233 IZKMPSAKVGHQBM-UHFFFAOYSA-N 319.434 1.855 0 40 DDAB Cn1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1=O 28998305 SSMGRMKGUZUQHA-UHFFFAOYSA-N 314.341 1.129 0 40 DDAB CCN(C1CC1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 12769397 SZYUIZWQDKFTBW-UHFFFAOYSA-N 312.391 1.827 0 40 DDAB CCc1ccc(N2C[C@@H](/C(O)=N/S(C)(=O)=O)CC2=O)cc1 48479383 FDGJCEPQHQNNKU-NSHDSACASA-N 310.375 1.518 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)N1 69920333 JNJCGGYTLIFBQZ-STQMWFEESA-N 308.765 1.519 0 40 DDAB CC(=O)N(C)c1nc(COC(=O)c2ccc(O)cc2O)cs1 63905314 DBBSHUDVTZIQMY-UHFFFAOYSA-N 322.342 1.894 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](c1cccs1)N(C)C 65415718 DZCUGIYUHYIZIQ-STQMWFEESA-N 321.450 1.935 0 40 DDAB CCN1C(=O)N/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 4472469 LVFSPIHMACSUAG-DHZHZOJOSA-N 306.318 1.625 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cn[nH]n2)c1 65551802 HHMZYVVZWPYHGD-CYBMUJFWSA-N 302.334 1.799 0 40 DDAB O=C(CNC(=O)c1ccco1)NCCc1ccc2c(c1)OCO2 14184455 CHNYCBXFCGGSEH-UHFFFAOYSA-N 316.313 1.097 0 40 DDAB CC(=O)N1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 14161022 XUILHXZAGZCYBP-GFCCVEGCSA-N 323.824 1.509 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cccnc1OCC(C)C)C2 71186466 WINZLWFHOKUNKQ-UHFFFAOYSA-N 315.377 1.672 0 40 DDAB COc1ccc(CCNC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1OC 6641775 WXHPCWJKGYUVGK-WCQYABFASA-N 321.373 1.562 0 40 DDAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(C(N)=O)cc1 5780117 LOKZUFPNIHLZPF-JTQLQIEISA-N 317.370 1.538 0 40 DDAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc[n+]([O-])cc2)c1 5961867 NQUCFQYYYIHERQ-LBPRGKRZSA-N 300.314 1.812 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC(O)CC2)c1 16338464 QBFGEFPGAAOAED-GFCCVEGCSA-N 322.405 1.338 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OC[C@@H]2CCCO2)c1 70013416 UVQQVPBZOCOLJY-PMPSAXMXSA-N 321.421 1.767 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)c1 69452121 XRHCXELBXIWQBH-ZDUSSCGKSA-N 303.366 1.353 0 40 DDAB O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccc(Cl)cc1Cl 8578736 KNFFHUFLGCSWMN-UHFFFAOYSA-N 324.127 1.977 0 40 DDAB Cc1nc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cs1 71841509 LRSDAODMEDBAGO-NSHDSACASA-N 321.377 1.665 0 40 DDAB Cc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)no1 71863814 NSTMTRVZEOPIAZ-UHFFFAOYSA-N 303.366 1.065 0 40 DDAB CC1CCN(C[C@@H](O)Cn2nc(-c3cccs3)oc2=O)CC1 71825088 NZCHNDPDTIRFCQ-GFCCVEGCSA-N 323.418 1.658 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cc(C3CC3)on1)C2 71860206 DYEVCJVYVUJQGJ-UHFFFAOYSA-N 313.361 1.607 0 40 DDAB Cc1nc2n(n1)C[C@H](Nc1ncccc1C(=O)OC(C)C)CC2 96503057 OHCLAQHGLJMDSF-GFCCVEGCSA-N 315.377 1.974 0 40 DDAB COC(=O)CCNC(=O)Nc1ccc(CC(=O)N(C)C)cc1 71911769 PEMSLYKOWFPINB-UHFFFAOYSA-N 307.350 1.002 0 40 DDAB O=C(NCC1CCC1)Nc1cnn(CCN2CCOCC2)c1 84335667 KZPSNOLROHAMBO-UHFFFAOYSA-N 307.398 1.137 0 40 DDAB NC(=O)Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)n1 84502194 AFUVHCNMQJMILL-WDEREUQCSA-N 302.309 1.250 0 40 DDAB CCN1C[C@@H](CN(C)C(=O)[C@@H]2CCC(=O)N2)Oc2ccccc21 72854225 GWWXHEWTEFSMNX-OLZOCXBDSA-N 317.389 1.011 0 40 DDAB O=C(c1cncc(F)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 97032062 FVZHGYGZHHVLJO-XHDPSFHLSA-N 317.364 1.836 0 40 DDAB CCn1cc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cn1 72284788 MFEGHGKWPMIPMU-CQSZACIVSA-N 302.382 1.589 0 40 DDAB Cn1cc(NC(=O)c2cc3ccccc3s2)c(=O)n(C)c1=O 72292725 OMHYVASRJXLDHD-UHFFFAOYSA-N 315.354 1.551 0 40 DDAB CN(Cc1cscn1)c1cc(N2CCC[C@@H]2CO)ncn1 72276191 HOCFYSZMQVEHIY-GFCCVEGCSA-N 305.407 1.531 0 40 DDAB COC[C@H](NC(=O)[C@@H]1CCc2[nH]ncc2C1)c1ccc(C)o1 95441303 UNYQKPSSLMYLNI-RISCZKNCSA-N 303.362 1.920 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@H]2CCC[C@]2(C)CO)s1 95442315 BPHXPQZLXADEQY-CMPLNLGQSA-N 304.437 1.589 0 40 DDAB CC(=O)N1C[C@@H]2c3nc(N(C)C)ncc3CN(CC3CC3)[C@H]2C1 306123323 AKCHKVVHSBKJNA-GJZGRUSLSA-N 315.421 1.083 0 40 DDAB COCc1nn(Cc2ccn(-c3c(F)cccc3F)n2)c(=O)o1 95433598 VPZFZIOTOZHEEQ-UHFFFAOYSA-N 322.271 1.495 0 40 DDAB C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc(F)c1 95941396 OLOWYHPLFVRFTI-BPNCWPANSA-N 307.369 1.786 0 40 DDAB CC1(C)C[C@@H](NCc2cccc(OCC(N)=O)c2)C(C)(C)O1 95968654 UTVICZRCUBJMTE-CQSZACIVSA-N 306.406 1.986 0 40 DDAB Cc1ccc2oc(C(=O)OCC(=O)N3CCNC3=O)c(C)c2c1 9909334 TUVIPDKYUMKMSH-UHFFFAOYSA-N 316.313 1.758 0 40 DDAB CCC[C@@](C)(CO)NC(=O)NCc1ccnc(-n2ccnc2)c1 86372973 SHROFKBIZLAJPS-INIZCTEOSA-N 317.393 1.618 0 40 DDAB C[C@@H](NC(=O)CN1CCSC[C@@H]1CCO)c1ccccc1 75110905 QOLSGFLXGCIKMX-HIFRSBDPSA-N 308.447 1.664 0 40 DDAB Cc1ccc2c(c1)NN=C(C(=O)N1CCCCCC1)S2(=O)=O 62592029 JPZVFGASEDAMET-UHFFFAOYSA-N 321.402 1.910 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)n1ccc(-c2ccc(F)cc2)n1 36612373 BUNRGZKFUPUQQG-UHFFFAOYSA-N 320.349 1.968 0 40 DDAB COCc1noc([C@H](C)N2CC[C@H](C(N)=O)c3ccccc32)n1 215641850 RCEHZOLIUMJJQZ-JQWIXIFHSA-N 316.361 1.756 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccccc1 217406568 KJSUOXOXVZJTNN-UHFFFAOYSA-N 320.370 1.905 0 40 DDAB COc1cc(C(=O)NCC(=O)N2CCOCC2)cc2occc12 72240059 BEGWDDZXUDBSIN-UHFFFAOYSA-N 318.329 1.030 0 40 DDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)C2CCC2)cc1 72321714 LUZRIZLHYZOMGW-KLHDSHLOSA-N 305.374 1.189 0 40 DDAB biogenic,in-vitro CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71287112 QWUIFOKBXKBJLT-NEPJUHHUSA-N 320.345 1.350 0 40 DDAB O=S(=O)(CC1CCCC1)NCc1nc(-c2ccncc2)n[nH]1 562787293 VLZWGOFKZBWEOY-UHFFFAOYSA-N 321.406 1.476 0 40 DDAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2nccnc2C(N)=O)C1 73850123 JIGSZQPIEQHJDZ-STQMWFEESA-N 324.384 1.902 0 40 DDAB CCc1nc(NC(=O)NCCc2nc3ccccc3o2)nn1C 48473052 QVJHNMLWYMUCAC-UHFFFAOYSA-N 314.349 1.883 0 40 DDAB CN1CCN(Cc2oc(-c3ccccc3)nc2C(=O)O)CC1 568061461 HDEUQEMTOZGEPO-UHFFFAOYSA-N 301.346 1.787 0 40 DDAB O=C1C[C@H](NS(=O)(=O)c2c(F)cccc2F)CN1C1CC1 75161563 XYRHMSRPNQVXAW-QMMMGPOBSA-N 316.329 1.006 0 40 DDAB Cn1cnnc1CN1CCOC[C@H]1CC(=O)c1ccccc1 134067272 ZDURBWNDTMUGBH-CQSZACIVSA-N 300.362 1.289 0 40 DDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccoc1Cl 192571413 HFECYSIGVAAWOE-QMMMGPOBSA-N 307.755 1.562 0 40 DDAB CN(CC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCSC1 89938694 JAARHADRLWCAOI-AWEZNQCLSA-N 323.462 1.361 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(N)=O)o2)cc1 223407409 ZFZIHJTTZZUFIE-UHFFFAOYSA-N 308.359 1.508 0 40 DDAB COc1cccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 225386709 SOWCMTFYBRTTNU-OAHLLOKOSA-N 303.406 1.971 0 40 DDAB COc1ncccc1C(=O)N1CCC2(CC1)C[C@@H](OC)CO2 96106549 RLGVFQVAZHYBFA-GFCCVEGCSA-N 306.362 1.500 0 40 DDAB CCC[C@H](NC(=O)Cc1ccc(OC)c(F)c1)c1nnn[nH]1 96466440 WRFCQCLJHOEGBQ-NSHDSACASA-N 307.329 1.548 0 40 DDAB CN(C)C(=O)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110451 XVJWAKNKLYPVLP-CJNGLKHVSA-N 323.368 1.762 0 40 DDAB c1coc(CN2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)c1 96206275 ZBNWKQNXWSHBJN-MLGOLLRUSA-N 301.346 1.940 0 40 DDAB CCc1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)o1 96432197 NRINVANBLFBSEW-SNVBAGLBSA-N 323.374 1.650 0 40 DDAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 96228761 PFGAMIAJEQKSHE-KRWDZBQOSA-N 320.437 1.383 0 40 DDAB Cc1noc(C)c1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCCC1 96413482 OYCGFEHCLCURAW-ZDUSSCGKSA-N 322.409 1.467 0 40 DDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12)NC1CC1 96206602 DCVQVSFSJSQCFY-BMFZPTHFSA-N 304.390 1.785 0 40 DDAB CN(C)c1ccnc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 97101798 LCRMRCYAEDCQEQ-AWEZNQCLSA-N 318.421 1.702 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1CCCCCn1cccn1 96465894 WJSMQJAENTZWEA-UHFFFAOYSA-N 319.386 1.898 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 97953692 CNIJCAHQRIECDW-DXCKQFNASA-N 319.357 1.363 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cc(C)on1 96068799 OEWLHIXYCRETHB-HNNXBMFYSA-N 317.393 1.730 0 40 DDAB CCn1cc(Br)c(=O)c(NC(=O)[C@H](C)COC)c1 97374299 LIOFRBWHOODNPA-MRVPVSSYSA-N 317.183 1.852 0 40 DDAB O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1c[nH]nn1 96408548 IQOMZXXNBSNAOO-VIFPVBQESA-N 323.303 1.415 0 40 DDAB COCCN1CCC2(CCN(c3cccc(C)n3)CC2)C1=O 96157765 NXHMDOVUJLIRNH-UHFFFAOYSA-N 303.406 1.855 0 40 DDAB C[S@@](=O)c1nncn1CCC(=O)Nc1cccc(Cl)c1 96424917 ULJNLDSVNKPUHU-FQEVSTJZSA-N 312.782 1.698 0 40 DDAB Cn1ncnc1CN1CCOC[C@@H]1CC(=O)c1ccccc1 97095933 KANOYXDHYSCPSJ-AWEZNQCLSA-N 300.362 1.289 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H](N(C)c3ncccn3)CO2)C1 96219846 FWQYTILDLTWPPA-XJKSGUPXSA-N 319.409 1.264 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238441 WYVRAFYLPNDQLN-QAPCUYQASA-N 314.385 1.821 0 40 DDAB NC[C@]1(N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242538945 JIXOLIWQMNRVJR-OAGGEKHMSA-N 320.389 1.422 0 40 DDAB COc1ccccc1[C@H]1CNCCN1CC(=O)N1CCCC1 257300113 RSYHLMTVVCDXRY-OAHLLOKOSA-N 303.406 1.264 0 40 DDAB Cc1ncc(CNC(=O)c2coc(C)n2)c([C@@H]2CCCN2C)n1 257344081 ZVSIUOSFXKLCOS-AWEZNQCLSA-N 315.377 1.778 0 40 DDAB CN(C)Cc1cnc(CC2CCN(Cc3c[nH]cn3)CC2)cn1 257238980 HNJGZARGKDEPQU-UHFFFAOYSA-N 314.437 1.716 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]2NCCC[C@@]21C 257313023 UQRPHXRAKBHGDZ-KGLIPLIRSA-N 312.439 1.024 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257205766 BAMLXUDWQZXNOX-AWEZNQCLSA-N 319.405 1.649 0 40 DDAB NCC(=O)N1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 257246960 IWSWUNIOZGUTHU-ILXRZTDVSA-N 319.380 1.485 0 40 DDAB O=C(O)CC1CCN(C(=O)CN2CCCCCCC2=O)CC1 262487283 VSGWVXFNDYMBTC-UHFFFAOYSA-N 310.394 1.492 0 40 DDAB COc1cccc([C@H](CNC(=O)C(=O)Nc2ccon2)OC)c1 96390421 KZMYSPQGNBYCPR-LBPRGKRZSA-N 319.317 1.126 0 40 DDAB Cn1nnc2c1C[C@H](C(=O)Nc1nc3c(s1)COCC3)CC2 290398147 HQHRJCCOYKJQKB-MRVPVSSYSA-N 319.390 1.088 0 40 DDAB O=S1(=O)CC=C(NC(=S)Nc2ccccc2Cl)C1 575419553 MVLGQPIXPYJLRU-UHFFFAOYSA-N 302.808 1.939 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)Cc1ccccc1C 585275979 CGJWJDKLWDRLPN-KRWDZBQOSA-N 304.390 1.421 0 40 DDAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCO1 56273089 VDVXCAOYVCLSMC-GJZGRUSLSA-N 305.374 1.846 0 40 DDAB CN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)cc1Cl 57383443 VOVVUBLTIXHTNH-UHFFFAOYSA-N 316.188 1.977 0 40 DDAB CN(C)C(=O)N[C@H](C(=O)O)c1ccccc1Br 548199461 POBOBWDNIVSSIG-VIFPVBQESA-N 301.140 1.846 0 40 DDAB CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccncc3)nc12 5502551 REIKLHYZOGQSRQ-UHFFFAOYSA-N 309.373 1.916 0 40 DDAB Cc1sc2nc(C)n3c(=O)n(CCN(C)C)nc3c2c1C 12144886 OTGXCXAUSYCRBQ-UHFFFAOYSA-N 305.407 1.593 0 40 DDAB CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2cccnc21 12222284 IOAKMBOMHHNNMN-UHFFFAOYSA-N 302.378 1.476 0 40 DDAB Cc1ncccc1C(=O)N1CCC(C(=O)c2ccnn2C)CC1 12337208 OITAFOZJEUETPC-UHFFFAOYSA-N 312.373 1.859 0 40 DDAB CCc1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1 13636822 FTIYCUSLWRGSEF-RYUDHWBXSA-N 322.386 1.262 0 40 DDAB C[C@H]1NC(=S)N(Cc2ccc(N3CCCC3=O)cc2)C1=O 14121154 LHXVMOCTZIIJPT-SNVBAGLBSA-N 303.387 1.419 0 40 DDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)nn1 1888856998 LANRRBOLGXWZOR-GJZGRUSLSA-N 309.373 1.388 0 40 DDAB Cc1nnc(CN2CCC(Oc3ncc(F)cn3)CC2)n1C 1776008273 BHDREAGCNBLSPK-UHFFFAOYSA-N 306.345 1.096 0 40 DDAB Fc1cncnc1N1CCN(c2cc(C3CC3)ncn2)CC1 1776009055 SMVGVESRENBUPQ-UHFFFAOYSA-N 300.341 1.610 0 40 DDAB CN1C[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]2OCC1=O 2037985085 XLEJOSBCBOUQFX-JSGCOSHPSA-N 306.337 1.145 0 40 DDAB CC(=O)[C@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 489786 JMYRQFURESEJJS-MVFSYPETSA-N 311.337 1.416 0 40 DDAB O=C(NCc1ccccn1)C(=O)Nc1ccc2c(c1)OCCO2 5250989 WYEWAGZEVGDPAS-UHFFFAOYSA-N 313.313 1.108 0 40 DDAB CC(C)(C)c1ccc(N2CCC[C@@H](NS(C)(=O)=O)C2)nn1 2298183926 IJTRIDJVWVPVND-LLVKDONJSA-N 312.439 1.292 0 40 DDAB COCCNC(=O)Cn1c([C@H]2CCCNC2)cc2cccnc21 19593492 UTXBXRTXBQFWQP-AWEZNQCLSA-N 316.405 1.266 0 40 DDAB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)ccc1O 20086320 UNXNLWRVTZPAQV-CYBMUJFWSA-N 313.313 1.801 0 40 DDAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(O)cc1 20113490 SABJRAZCMVQGKK-VQHPVUNQSA-N 304.342 1.610 0 40 DDAB biogenic CC[C@@H](Nc1ccc(CC(N)=O)cc1)C(=O)Nc1cc(C)on1 40511430 NOZDGQMBJOMGKU-CYBMUJFWSA-N 316.361 1.840 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccc(-n3cccn3)cc2)CC1 32740462 WGMCXAUIBJUDQS-UHFFFAOYSA-N 312.373 1.613 0 40 DDAB C[C@H]1NC(C(=O)Nc2ccncc2)=NN(c2ccccc2)C1=O 32726672 WACJAUSEMCHNAS-LLVKDONJSA-N 309.329 1.359 0 40 DDAB Cc1ccc(C(=O)O)c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 11990930 MLPPIKBOAGLDAR-JTQLQIEISA-N 311.359 1.457 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 69981624 GNCOGSWOHBBJLE-MRXNPFEDSA-N 320.433 1.761 0 40 DDAB C[C@H](O)C[C@@H](C)CNC(=O)CCc1nc(-c2ccco2)no1 76019583 ZJLCEOQBLQZOHB-MNOVXSKESA-N 307.350 1.785 0 40 DDAB CC(C)=C[C@@H]1[C@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(C)C 52743915 LGLAZVSKCVPZAQ-CHWSQXEVSA-N 308.422 1.623 0 40 DDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 107202974 XSOMKTSMCNNMHK-NJAFHUGGSA-N 316.449 1.455 0 40 DDAB Cn1ncc2c(NCc3ccc(-n4ccnc4)nc3)ncnc21 22136184 BISNJGFNXSAAPO-UHFFFAOYSA-N 306.333 1.556 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)CCC2=O)cc1 8470593 VEGXQEPEOKECAR-CYBMUJFWSA-N 302.330 1.249 0 40 DDAB Cc1cc2ccccc2n1CC(=O)NCCN1CCN(C)CC1 53718108 XMNFMBQBXAVYOD-UHFFFAOYSA-N 314.433 1.313 0 40 DDAB O=C(NCc1nnc2n1CCC2)NC12CC3CC(CC(C3)C1)C2 47575762 LKHCVVXKGZCZIC-UHFFFAOYSA-N 315.421 1.992 0 40 DDAB Cc1nc(CN2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cs1 42865316 XYDYOVCRGUCSPT-AWEZNQCLSA-N 324.450 1.458 0 40 DDAB NC(=S)NNC(=S)Nc1ccc(Br)cc1 9331368 CVIFOCFEWBIIIP-UHFFFAOYSA-N 305.226 1.484 0 40 DDAB Cc1nc(CNC(=O)NCC(C)(C)N2CCOCC2)cs1 43160462 SLGNQHWLSNEDPH-UHFFFAOYSA-N 312.439 1.362 0 40 DDAB C[C@@H]1CN([C@H](C)CNC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1 106054984 RNGYSLZOXVHKQK-MGPQQGTHSA-N 323.441 1.059 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)C(C)C 24817906 FTAZYIWZUZURNL-NVXWUHKLSA-N 317.433 1.790 0 40 DDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1C[C@@H]1C)C[C@@H]2O 106568135 GVXJESURKXGIQH-GVXVVHGQSA-N 320.389 1.918 0 40 DDAB O=C(NCCO)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444652 FLTNFCONVVUDKZ-UHFFFAOYSA-N 314.341 1.313 0 40 DDAB C/C=C/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 100304110 ATUBIBZJAGAIBW-WCPFJIQSSA-N 307.390 1.908 0 40 DDAB in-vitro Cc1ccccc1OCCNS(=O)(=O)c1c(C)noc1C 56139358 CQLGECGGCPBQNM-UHFFFAOYSA-N 310.375 1.957 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCCC1 107588426 OOPTYGZHJCMOTP-BYNSBNAKSA-N 316.401 1.490 0 40 DDAB COCCOc1ccccc1NCC(=O)NC(=O)NC1CC1 58434484 SRBQOORSZQGUDA-UHFFFAOYSA-N 307.350 1.112 0 40 DDAB COc1ccc(OCCCNc2ccc3nnnn3n2)cc1 57149044 IKPAOCIIHROUAX-UHFFFAOYSA-N 300.322 1.409 0 40 DDAB C[C@@]12CC[C@@](C)(O1)[C@@H]1[C@@H]2[C@@]2(C)O[C@@]1(C)[C@@H](C(=O)O)[C@H]2C(=O)O 104595141 QIDVGQRHVGEPJG-DNJYVOQSSA-N 310.346 1.523 0 40 DDAB COCCNC(=O)[C@H]1CN(Cc2ccccc2F)[C@@H]2CCO[C@H]12 108536050 XUCLNXYISSVFAC-NUEKZKHPSA-N 322.380 1.178 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)NC2CCCCCC2)on1 44643105 KNMBQRVSLDMCNG-UHFFFAOYSA-N 314.407 1.737 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)N1CCOCC1 27338013 RFAYCHBYUINZQD-UHFFFAOYSA-N 300.362 1.473 0 40 DDAB Cc1cc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)no1 44896068 AVNMLGRDVOQJOW-LLVKDONJSA-N 318.255 1.495 0 40 DDAB CC[C@H]1CCCCN1C(=O)COc1cc(OC)ccc1C(N)=O 48261601 ILKXKFCPOVNGLU-LBPRGKRZSA-N 320.389 1.964 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccc(-n3cccn3)cc2)CCO1 44970516 ATUODKHJPAYEDJ-CYBMUJFWSA-N 300.362 1.803 0 40 DDAB Cc1ncc2c(n1)CCN(CC(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 44977556 DIDHZQQPGOKLMZ-UHFFFAOYSA-N 323.356 1.196 0 40 DDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H]1CCCO1 27849891 FHMRMHRVIFBDIS-DOMZBBRYSA-N 315.373 1.853 0 40 DDAB CCS(=O)(=O)NCCc1coc(-c2ccc(OC)cc2)n1 58312370 IBKZMMGZWPKFTH-UHFFFAOYSA-N 310.375 1.832 0 40 DDAB CCn1cc(NC(=O)N[C@@H](CO)Cc2ccc(O)cc2)cn1 45345114 BZBBDZACCYLUCL-GFCCVEGCSA-N 304.350 1.334 0 40 DDAB COc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1 3379867 NYXBKYFCCDKKTI-UHFFFAOYSA-N 301.302 1.589 0 40 DDAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCCC1 11460134 GSSTVQLHWFBEDK-NSHDSACASA-N 314.341 1.696 0 40 DDAB O=S(=O)(NCCCn1cncn1)c1cccc(Cl)c1F 45742748 MUDNXYFYDBAXCZ-UHFFFAOYSA-N 318.761 1.439 0 40 DDAB O=C(CN1CCSC1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 29115285 ZMPVNLQOVXQEFF-CYBMUJFWSA-N 324.377 1.894 0 40 DDAB O=C(Cn1ccccc1=O)Nc1ccccc1N1CCCC1=O 29457015 DITASYRDYURLKL-UHFFFAOYSA-N 311.341 1.614 0 40 DDAB COc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1F 48450966 CGOPMZAPHJXFEZ-UHFFFAOYSA-N 305.313 1.694 0 40 DDAB COC(=O)c1nnn(-c2cc(C)ccc2OC)c1C(=O)OC 4315920 JKTRYDDBDJVHSC-UHFFFAOYSA-N 305.290 1.158 0 40 DDAB CC1CCN(C(=O)CCC(=O)Nc2sccc2C(N)=O)CC1 14160588 OXMHTNYRNYPUKN-UHFFFAOYSA-N 323.418 1.824 0 40 DDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC1)C2=O 4513548 AUWDJQMNCXSTGE-UHFFFAOYSA-N 307.394 1.500 0 40 DDAB O[C@@H](CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 19403896 ZNBHOYMWWOCGJP-HNNXBMFYSA-N 302.353 1.471 0 40 DDAB Cc1nnc(SCC(=O)NC2=NCCS2)n1CC(C)C 9224921 WSDZYCUYULZXDZ-UHFFFAOYSA-N 313.452 1.554 0 40 DDAB Cc1cccc(C)c1-n1nnnc1C(C)(C)N1CCOCC1 19798434 PCPOLQBVVMGXOO-UHFFFAOYSA-N 301.394 1.846 0 40 DDAB O=C(C[C@H](O)c1ccc(Cl)cc1)NCC(=O)N1CCCC1 91032132 LMGFORINXRVDGB-ZDUSSCGKSA-N 310.781 1.502 0 40 DDAB CCNC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1 8195514 MACJWCGUIZYVKB-UHFFFAOYSA-N 323.374 1.842 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(c3ncnc4c3CCC4)CCO2)n1 69349837 BEIMJTKBWFBUMZ-CQSZACIVSA-N 313.405 1.684 0 40 DDAB C[C@H](OC(=O)CSc1ccc2c(c1)CCC2)C(=O)NC(N)=O 8389697 GGDICQHBCYLHGH-VIFPVBQESA-N 322.386 1.394 0 40 DDAB O=C(CN1Cc2ccccc2C1=O)N1CCC[C@@H](n2cccn2)C1 69418393 HRDWLWBNGWSWGA-OAHLLOKOSA-N 324.384 1.703 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)s1 69707213 MTYJQQMMAYCFJK-SNVBAGLBSA-N 304.375 1.521 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3nncn3c2)n1 71870284 NNIGNHYUMBMLMN-OAHLLOKOSA-N 324.388 1.847 0 40 DDAB CN1CCO[C@@H](CNC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 71877189 GUCABMACNPQNMG-KBPBESRZSA-N 318.339 1.659 0 40 DDAB COc1cc(CNC(=O)c2ccc(C)o2)ccc1OCC(N)=O 71814854 QLFVFQZIJPIUOA-UHFFFAOYSA-N 318.329 1.391 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 97220654 XASPLEFUQNHYNS-AWEZNQCLSA-N 300.362 1.972 0 40 DDAB O=c1[nH]c(=O)n(Cc2cccc(OC(F)F)c2)cc1Cl 84374532 JUSHZDFNVHCJCP-UHFFFAOYSA-N 302.664 1.840 0 40 DDAB COc1ccc(C(=O)N(CC(F)F)C2CC2)cc1-n1cnnn1 97081258 OBLWRBMCWXNBGD-UHFFFAOYSA-N 323.303 1.541 0 40 DDAB C[C@H](Nc1cnn(CC(=O)N2CCOCC2)c1)C1CCCC1 97038937 AJSNHSNQUQEZHP-ZDUSSCGKSA-N 306.410 1.733 0 40 DDAB COc1ccc(C(=O)N[C@H](C)CC(C)C)cc1-n1cnnn1 97081378 JBINIPOJVVMYNI-LLVKDONJSA-N 303.366 1.835 0 40 DDAB FC(F)(F)CN1CC[C@@H](NC2CCC3(CC2)OCCO3)C1 97016554 FUYIAVRSXDAKGC-GFCCVEGCSA-N 308.344 1.898 0 40 DDAB O=C(CCc1nc(C2CC2)no1)N[C@@H]1CCc2nccn2C1 72292174 VYVXPIDNDBVILM-LLVKDONJSA-N 301.350 1.207 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)NCc3cccs3)C2)cn1 72287578 OLAUXCSEUJIFLW-NSHDSACASA-N 305.407 1.560 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCO[C@@H](C)C1)C2 72254821 NJNRVTSICFVLDS-AAEUAGOBSA-N 306.362 1.429 0 40 DDAB Cn1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)ccc1=O 95389627 YOKQKRIYABJRHI-CQSZACIVSA-N 312.373 1.786 0 40 DDAB COc1cc(C(=O)N(CCO)Cc2cccnc2)ccc1F 95977781 DKEHBRCKDQHYEZ-UHFFFAOYSA-N 304.321 1.864 0 40 DDAB C[C@@H]1CCOCCN1C(=O)NCc1cc(=O)[nH]c2ccccc12 95985271 GNGQFTPQRJDRTQ-GFCCVEGCSA-N 315.373 1.849 0 40 DDAB Cc1ccc(-n2nc(C(=O)N[C@H](C)C(=O)O)c3c2CCC3)cc1 95970438 CJLAMUJDUKCJTL-LLVKDONJSA-N 313.357 1.872 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCc1nc(-c2cccnc2)no1 89937973 BTSNDERNGOXUNL-GFCCVEGCSA-N 315.377 1.227 0 40 DDAB O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCOCC1 28096352 KDUZEHFIYGPHGT-UHFFFAOYSA-N 310.785 1.205 0 40 DDAB C[C@]1(C(=O)N[C@H]2CCC[C@@H](N)C2)CC(c2ccccc2)=NO1 1548558007 SEJPDDZEYQGDMB-JKIFEVAISA-N 301.390 1.956 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)c(C)c1 36635290 SOKKKLOBCRSVKK-LBPRGKRZSA-N 303.387 1.946 0 40 DDAB C[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)n1ccnc1 517035024 VARSMFFMLAYEFM-SWLSCSKDSA-N 313.357 1.872 0 40 DDAB C[C@@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21)n1cnnn1 524734524 NZOLYWXYANPJMB-IINYFYTJSA-N 310.361 1.909 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)Cn2cncc2C)C12CCOCC2 529052075 DMRAJOQFVKYWFV-ZIAGYGMSSA-N 307.394 1.282 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2 72279419 UHILIDSNXIGZRJ-CZUORRHYSA-N 318.421 1.270 0 40 DDAB C[C@H](N)C(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393053 ZOLDVVHTTMHQJL-DZGCQCFKSA-N 319.405 1.499 0 40 DDAB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c2[nH]ncc2c1 71871488 XSHGJFXJGDYXPL-GFCCVEGCSA-N 302.378 1.010 0 40 DDAB CCCC[C@H](NCc1cnc(N2CCOCC2)nc1)C(=O)O 218757253 SSWZRXTWEDUWDV-ZDUSSCGKSA-N 308.382 1.046 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 35900111 OABOSBXICQEOPN-RFGFWPKPSA-N 305.330 1.902 0 40 DDAB COC(=O)c1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1C 79040553 WCHNBWRDHLSGIU-UHFFFAOYSA-N 313.375 1.543 0 40 DDAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241708 MLMPOFCRZQROFV-GJZGRUSLSA-N 308.353 1.640 0 40 DDAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cn1cnnn1 187062138 DVBVCDKUZCKDEE-GWCFXTLKSA-N 321.768 1.315 0 40 DDAB CN(C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 190675521 KWUBTOXHJNUGOA-OAHLLOKOSA-N 307.369 1.835 0 40 DDAB CC(C)C[C@H]1CN(C)CCN1C(=O)NCC[C@@H]1CNC[C@H]1C 1575549658 KMBISGPHKULKPS-OAGGEKHMSA-N 310.486 1.604 0 40 DDAB COCCCNC(=O)[C@H](C)N1CCN(c2ccncc2C)CC1 192565498 HSFXEOGKNSQCEA-HNNXBMFYSA-N 320.437 1.053 0 40 DDAB COc1ccc(CCC(=O)NCCCN2CCOCC2)cc1C 224837377 YVDMOWKUWWFQAM-UHFFFAOYSA-N 320.433 1.775 0 40 DDAB O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1 96112442 FRWLBZKINXWPKT-ZDUSSCGKSA-N 308.341 1.933 0 40 DDAB biogenic,in-vitro CO[C@H]1CO[C@@]2(CCN(C(=O)COc3ccccc3C)C2)C1 96208838 BCOSLGOYYOZVDN-PBHICJAKSA-N 305.374 1.780 0 40 DDAB COCC(=O)N1C[C@H]2CCC[C@H](OCc3cccnc3)[C@H]2C1 96183018 GRZAHBFVXMNXHS-PMPSAXMXSA-N 304.390 1.872 0 40 DDAB CCN1CC[C@H]2OCC[C@@H](C(=O)NCc3cccnc3)[C@H]2C1 96043476 SKKKOFYVHRLZPP-BZUAXINKSA-N 303.406 1.445 0 40 DDAB CC(=O)N1CCC2(CCOC[C@@H]2NC(=O)c2ccco2)CC1 96209769 NIVYAFSSGLWCLH-AWEZNQCLSA-N 306.362 1.427 0 40 DDAB O=C(c1ccncc1)N1CCn2c(Cn3cccn3)cnc2C1 96061816 RPSLLHZMUPRRJR-UHFFFAOYSA-N 308.345 1.179 0 40 DDAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccoc2)CC3)cn1 96199758 PPQVFWNKZSYZRB-OAHLLOKOSA-N 314.389 1.651 0 40 DDAB Cc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21 96040656 DIAPMPFUYMTFCZ-MAZHCROVSA-N 319.405 1.745 0 40 DDAB Cc1noc(CCCNC(=O)NCC[S@@](=O)C(C)(C)C)n1 96408856 DZDQRGOMWAWWSM-NRFANRHFSA-N 316.427 1.157 0 40 DDAB NC(=O)c1cnc(N2CCC[C@@H](c3nc[nH]n3)C2)c(Cl)c1 96452915 FCBYJYHSKMLKFO-MRVPVSSYSA-N 306.757 1.336 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96245161 ZCUJJFHLWQJWAE-IPYPFGDCSA-N 300.358 1.144 0 40 DDAB Cc1cnc2n1CCN(C)C21CCN(CC2CCOCC2)CC1 96037008 REMPJOZPDQEJKQ-UHFFFAOYSA-N 318.465 1.855 0 40 DDAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1CCO 95999859 KKSRUECUVGHMJX-QGZVFWFLSA-N 315.417 1.914 0 40 DDAB Cn1cc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)cn1 96416294 MMLHJNMSUROUHP-UHFFFAOYSA-N 324.381 1.960 0 40 DDAB CCN(CC)Cc1nc2c(o1)CN(C(=O)c1cnccn1)C2 96086748 UJLXVFUORQPHMY-UHFFFAOYSA-N 301.350 1.462 0 40 DDAB C[S@](=O)c1nncn1Cc1cn(-c2ccc(Cl)cc2)nn1 95409580 CLVGYBZHSAMTCU-OAQYLSRUSA-N 322.781 1.298 0 40 DDAB COCC(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 96200561 BLZYCVQFQSNMKR-HOTGVXAUSA-N 304.390 1.667 0 40 DDAB COCCNC(=O)c1cc(C(C)C)nc(N2CCCCC2)n1 96101209 POBGPTWPNDQUQN-UHFFFAOYSA-N 306.410 1.967 0 40 DDAB COCC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 96202185 XUGUYORUTLHYRQ-INIZCTEOSA-N 324.446 1.445 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)/C=C/c1cnn(C)c1C 245338725 OATQTPSNFAPJEI-YQJPXVGPSA-N 317.389 1.446 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@]1(CN)COC 242547687 KSHXAXZOAQSFCB-ZNMIVQPWSA-N 313.419 1.187 0 40 DDAB CC(=O)N1[C@H]2CCN(Cc3ncccc3F)C[C@@H]2C[C@]1(C)CO 257220819 DMGUBSFNLHJCAT-RRQGHBQHSA-N 321.396 1.414 0 40 DDAB CCc1cc(C(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)on1 257205683 BADCHYHLBKIRPM-ZDUSSCGKSA-N 318.333 1.255 0 40 DDAB COc1ccc([C@@H]2CNCCN2Cc2cnn(C)c2C)cc1 257303264 SGLGSGPKMDGCAC-KRWDZBQOSA-N 300.406 1.884 0 40 DDAB COc1ccc(CC(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1 257272310 NBXIKJHEACOKPD-OAHLLOKOSA-N 301.346 1.561 0 40 DDAB CC(=O)N1C[C@@H]2CN(C(=O)CC(C)(C)C)CCN2C(C)(C)C1 253406231 UJOWOBCBLOYBEC-AWEZNQCLSA-N 309.454 1.576 0 40 DDAB biogenic,in-vitro CS(=O)(=O)N1CC[C@H](Cc2ccnc(-c3cc[nH]n3)c2)C1 257265968 MBBPMNLGQIBRDZ-GFCCVEGCSA-N 306.391 1.296 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)c2cn(C)nc2C)nc(C)n1 257200972 AFPMBKWVFDBIPL-CQSZACIVSA-N 314.393 1.846 0 40 DDAB Cc1ncncc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257270451 MUHBTULYXWVDEC-AWEZNQCLSA-N 313.361 1.747 0 40 DDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)c2ccncc2)C1 257344058 ZVPLVVDFDNYDEU-HZPDHXFCSA-N 301.390 1.945 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3cccnn3)CCO2)c1 257309390 UASNYYVCWZJNHD-OAHLLOKOSA-N 313.361 1.435 0 40 DDAB Cc1cc(Br)cc(C(=O)N2CCCn3nnnc32)c1 297779866 NFKABKTXDGKQTP-UHFFFAOYSA-N 322.166 1.795 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C)c1 298114613 QXPNBTGFDAAENA-OAHLLOKOSA-N 303.406 1.212 0 40 DDAB Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2c(Cl)cnn2C)cn1 390835504 OVMQOGCYKCQGOR-DOMZBBRYSA-N 323.828 1.895 0 40 DDAB CCn1ncnc1CNC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 574833924 MOBTXCMOALDGMT-CPWXYTRJSA-N 319.409 1.181 0 40 DDAB O=C(O)c1cncnc1N1CC[C@H](n2ncc3ccccc32)C1 572606254 KZCKGUIXCWMGDH-LBPRGKRZSA-N 309.329 1.976 0 40 DDAB O=C1CCCN1C[C@@H]1CN(C(=O)CC2CC2)Cc2ccnn21 575406591 PQUPNIRYUCAVDZ-CQSZACIVSA-N 302.378 1.189 0 40 DDAB CCn1ncc(CN[C@H]2CCN(Cc3ccccn3)C[C@H]2C)n1 585087125 POSCPHVBCZLHGK-PBHICJAKSA-N 314.437 1.693 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc3ccccc3n2)[C@@H]1O 585292108 XLNAHPLWBFHVBG-ZACQAIPSSA-N 302.374 1.441 0 40 DDAB O=C(NCCc1ccco1)N1CCC(Cn2cncn2)CC1 681642308 QYQSVXVCNIPGFR-UHFFFAOYSA-N 303.366 1.535 0 40 DDAB COc1ccc(-n2ccc(CNC(=O)NC[C@H](C)O)n2)cc1 56821318 YZZRGRRURCTBBJ-NSHDSACASA-N 304.350 1.061 0 40 DDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)C3CC3)CC1)O2 72393304 VOXFYFBDOVPPFE-UHFFFAOYSA-N 314.385 1.888 0 40 DDAB Cc1ccccc1OCC(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85436650 PYQQIANGKQQAAV-MRXNPFEDSA-N 318.417 1.289 0 40 DDAB O=S(=O)(c1cccs1)N1CCOC2(CCOCC2)C1 90608841 HWPULVGVDBXPCQ-UHFFFAOYSA-N 303.405 1.318 0 40 DDAB O=C(c1cncc(Br)c1)N1CCc2[nH]ncc2C1 96999837 OXNIGJQSELEQKC-UHFFFAOYSA-N 307.151 1.766 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@H]3COC[C@H]3C2)C1 872319452 GWEYANZRIGSPBP-MELADBBJSA-N 324.421 1.738 0 40 DDAB COc1ccnc(N2CCN(c3ncnc(C)c3C)CC2)n1 881835176 SZUZNCXIMPSMGF-UHFFFAOYSA-N 300.366 1.219 0 40 DDAB Cc1cnn(CC2CN(c3ncc(Br)cn3)C2)c1 1889081465 APZOLKAYKTXMRL-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB CCOC(=O)[C@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC 35571056 MUICEMIMMHJMGE-MRVPVSSYSA-N 311.271 1.886 0 40 DDAB CCCCSCCOC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 5328557 XBNKGOUYKZYJBP-USZNOCQGSA-N 302.392 1.941 0 40 DDAB Cn1ccnc1C1(O)CCN(C(=O)CCc2ccccc2)CC1 12114442 RBKMDHZHGWBDCM-UHFFFAOYSA-N 313.401 1.863 0 40 DDAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)cc1 13778520 DFJORAFRJYBLAR-HZSPNIEDSA-N 305.353 1.554 0 40 DDAB CCC(=O)N1c2ccc([C@@H](O)CN3CCOCC3)cc2C[C@H]1C 19499223 IDBPPVFYGJUNHH-DYVFJYSZSA-N 318.417 1.740 0 40 DDAB Cc1cc(C)cc(N(CC(N)=O)S(=O)(=O)c2ccccc2)c1 19947267 VOLIXODFRNMTDL-UHFFFAOYSA-N 318.398 1.984 0 40 DDAB COCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[nH]1 12126818 BFTPYSLLPOWPQA-UHFFFAOYSA-N 317.349 1.035 0 40 DDAB CN(c1nccc(C(F)(F)F)n1)C1CN(c2cnccn2)C1 1888901218 XKGYNULODZBOST-UHFFFAOYSA-N 310.283 1.610 0 40 DDAB c1cc2sc(N3CCN(c4cnsn4)CC3)nc2cn1 1889136240 ASQMNIUAGQJUKW-UHFFFAOYSA-N 304.404 1.869 0 40 DDAB Cc1cc(OCC(=O)NCCc2cn3ccccc3n2)no1 23319734 NAOTZASMLIWBCB-UHFFFAOYSA-N 300.318 1.368 0 40 DDAB Cn1cnc(S(=O)(=O)NCCc2cccc(F)c2)c1Cl 27961186 AEHIZCQDUSYTAJ-UHFFFAOYSA-N 317.773 1.734 0 40 DDAB CC(C)CN1CC[C@@H]2CN(C(=O)C3=CC=NC(=O)C3)C[C@@H]2CC1 2056223520 PVMJZBFQWVWOMR-IYBDPMFKSA-N 317.433 1.740 0 40 DDAB COc1ccc(Cl)c(C(=O)N2C[C@H]3CN(C)C(=O)[C@H]3C2)c1 1565553982 IHYFOWDCIKGUKI-SKDRFNHKSA-N 308.765 1.509 0 40 DDAB O=C(NCC1CC1)c1noc2c1C[C@H](Nc1ncccn1)CC2 2055738726 MPUKPWVSSNDYMV-LLVKDONJSA-N 313.361 1.574 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@]1(O)C=CCCC1 606440394 KSYMFEXEIDDOLR-INIZCTEOSA-N 302.330 1.182 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)cc1 65579 DPKKANSRYAZVMF-CYBMUJFWSA-N 315.333 1.534 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31125398 DPFWVKYEWJRDCC-DOMZBBRYSA-N 316.357 1.949 0 40 DDAB C[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 40086875 FQHHGLNOANUZNR-WDEREUQCSA-N 314.407 1.838 0 40 DDAB C[C@@H](CNC(=O)CCc1nc(C(C)(C)C)no1)N1CCOCC1 31370345 MMUNKLAQRUIJGK-LBPRGKRZSA-N 324.425 1.137 0 40 DDAB CCCn1c(=O)n(CCC(=O)N2CCOCC2)c2ccccc21 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300.314 1.894 0 40 DDAB c1ccc(Cn2cccn2)c(CNC[C@H]2CNc3ccnn3C2)c1 58308322 DGGCRLYHZZVAGD-HNNXBMFYSA-N 322.416 1.959 0 40 DDAB C[C@H](NC(=O)C(C)(C)c1ccccc1)C(=O)N1CCOCC1 58379875 BGCWTRAHDRNTJL-ZDUSSCGKSA-N 304.390 1.328 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1ccnc(N(C)C)c1 58421777 QFJXITWUSOWREK-UHFFFAOYSA-N 302.426 1.545 0 40 DDAB O=C(CSc1cccc[n+]1[O-])NC(=O)NCc1ccco1 3358378 TYZXSKOAHOPJBS-UHFFFAOYSA-N 307.331 1.031 0 40 DDAB CN1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 3349303 IHRSBTBYKDEMEK-UHFFFAOYSA-N 324.450 1.008 0 40 DDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NC(C)C)n1 36366654 DYKVKYPRUHMCMV-UHFFFAOYSA-N 318.333 1.745 0 40 DDAB NC(=O)c1ccsc1NC(=O)c1cc(=O)[nH]c2ccccc12 3369756 JKHJMILRRZUJFI-UHFFFAOYSA-N 313.338 1.941 0 40 DDAB C[C@H]1CCCCN1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1 110654611 ZBMOHCXWKGKHDQ-BLLLJJGKSA-N 321.396 1.685 0 40 DDAB CCN1C[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O 46144124 PHWICLMMRSPOLR-RYUDHWBXSA-N 309.435 1.335 0 40 DDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3505647 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O=C(NCC[C@H](O)c1ccco1)[C@H]1COc2ccccc2O1 77110963 BRTYRKAZNMYKLG-XHDPSFHLSA-N 303.314 1.659 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1 32718556 QSVBLNPROAHPSU-UHFFFAOYSA-N 319.386 1.621 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 72364473 RKMPWRKVQJLSJB-LLVKDONJSA-N 309.395 1.020 0 40 DDAB COc1cc2c(cc1OC)CCN(CC1(C(=O)O)CC1)CC2 564738681 LEPWVZUFEMLTJD-UHFFFAOYSA-N 305.374 1.969 0 40 DDAB O=C1NCCC[C@H]1N1Cc2cc(Br)ccc2C1=O 2362803201 MXZXFYUKMWHJNL-LLVKDONJSA-N 309.163 1.684 0 40 DDAB Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccccn2)cc1 72321679 XDSHMNMCCJYLMW-MWQQHZPXSA-N 312.369 1.398 0 40 DDAB biogenic,in-vitro O=C(NCCCn1ccnc1)c1ccc(Cn2ccnc2)cc1 30944875 APJZTDYDRQTZOX-UHFFFAOYSA-N 309.373 1.948 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CO)C(=O)O)cc1 218439164 WNXKHNGVJWFHIZ-NFAWXSAZSA-N 312.387 1.213 0 40 DDAB COCCN1Cc2cc3cc(OC)ccc3nc2O[C@H](C)C1=O 72346415 CECPWAIJRJMCQD-LLVKDONJSA-N 316.357 1.999 0 40 DDAB CN(C)CCNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O 41548529 VYMBZZJXBMFZRZ-AWEZNQCLSA-N 311.769 1.107 0 40 DDAB O=C1SCCN1CN1CCN(C(=O)c2cccs2)CC1 41887787 RCJOPGGYPYEAOL-UHFFFAOYSA-N 311.432 1.632 0 40 DDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCC(C)C 225880512 WLYYNSIHVWZZRZ-UHFFFAOYSA-N 305.425 1.233 0 40 DDAB C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccc(O)nn2)C1 528793022 WPKDFMLBEHLDHL-GXTWGEPZSA-N 304.394 1.578 0 40 DDAB CN(C)c1ccnc(C(=O)N2CCc3ccccc3[C@@H]2CO)c1 133164348 UEWHNPHCVODVAL-KRWDZBQOSA-N 311.385 1.880 0 40 DDAB NC(=O)c1ccc(NC(=O)c2cccc(N3CCNC3=O)c2)cc1 45763156 PHVHJQUYGYHFAQ-UHFFFAOYSA-N 324.340 1.567 0 40 DDAB COCCNc1nc(C)c(C(=O)NCc2cccnc2)s1 49548511 SUQDKSKAFVSYJI-UHFFFAOYSA-N 306.391 1.835 0 40 DDAB O=C(CNC(=O)c1[nH]nc(C2CC2)c1Cl)Nc1cccnc1 88586871 UHZLLIVACHFXNJ-UHFFFAOYSA-N 319.752 1.704 0 40 DDAB CC[C@]1(C)CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCO1 195574859 SWUHKGNYPYAVBJ-DGCLKSJQSA-N 323.359 1.834 0 40 DDAB COc1cc(/C=C2\SC(=N)NC2=O)cc(OC)c1OC(C)=O 83313469 WWOPNDOXDWHDHH-WDZFZDKYSA-N 322.342 1.768 0 40 DDAB COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccco3)C[C@H]2C1 96066000 MLGPCMRWPYWYHN-FMKPAKJESA-N 322.405 1.269 0 40 DDAB CCCS(=O)(=O)Nc1cc(F)ccc1N1CCN(C)CC1 97231436 UPYDNZAZDUHUGA-UHFFFAOYSA-N 315.414 1.729 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3O2)n1 96220790 NGERTOYHPALVLL-OUCADQQQSA-N 316.361 1.189 0 40 DDAB O=C1C[C@@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1cccnc1 96239120 TXUFYDWCKUOJMX-OAHLLOKOSA-N 321.402 1.003 0 40 DDAB O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)N2CCC2)C1 96494938 URYPOFZPSNMGSK-MRXNPFEDSA-N 306.337 1.970 0 40 DDAB COC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2cnn(C)c21 96198205 HBAXHHWOONQQLG-ZDUSSCGKSA-N 300.362 1.510 0 40 DDAB C[C@H](O)CN(C)C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 96490363 OQVHRVUEQLLTSJ-JSGCOSHPSA-N 302.378 1.716 0 40 DDAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(CC(C)C)C2 96251123 FDNYYOOPRSJZMD-RHSMWYFYSA-N 317.437 1.149 0 40 DDAB Cc1nc(N2CCO[C@@H](c3nccs3)C2)c2cnn(C)c2n1 97203879 BLMZGWXPDGCBOO-LLVKDONJSA-N 316.390 1.706 0 40 DDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039933 XVAKKNDBBKGKHY-LSDHHAIUSA-N 317.451 1.634 0 40 DDAB c1ccc(N2CCOC3(CCN([C@H]4CCOC4)CC3)C2)nc1 96063131 PFYYBVIYEFHOSZ-HNNXBMFYSA-N 303.406 1.542 0 40 DDAB Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(F)(F)F)s1 92436339 LAEYCELRDPEQBM-UHFFFAOYSA-N 317.310 1.694 0 40 DDAB C[C@H](NC(=O)CNC(=O)c1ccco1)[C@@H](O)c1ccc(F)cc1 97232051 WSKKBBYQQZTSJT-ZUZCIYMTSA-N 320.320 1.387 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1 96201959 YATFMWRYIMJDDS-INIZCTEOSA-N 324.446 1.338 0 40 DDAB C[C@H](O)CN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 96074696 FEECHGSLMOWDLY-HNNXBMFYSA-N 322.424 1.873 0 40 DDAB CN(C)CCN1CCO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 96054299 YZPABFKWOHDFQF-SJORKVTESA-N 307.413 1.272 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 96053763 OCYZIEMGYVPKPD-HOTGVXAUSA-N 308.385 1.681 0 40 DDAB CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C)C2)c1 245338806 OPZPLOQPFFHYHD-BNOWGMLFSA-N 305.378 1.879 0 40 DDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccon1 257342856 ZQJPSPPMAXTAGK-MRXNPFEDSA-N 316.361 1.173 0 40 DDAB O=C(c1ccc2c(c1)CCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 257334012 YEDJFFKAZJWGOL-IAGOWNOFSA-N 300.402 1.456 0 40 DDAB CCCc1cc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)no1 257297389 RHAPTBAWKUIMAZ-BPLDGKMQSA-N 318.377 1.708 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cncnc3)CC[C@H]21 257260834 LEPFZOXJEFKSBC-JKSUJKDBSA-N 318.421 1.326 0 40 DDAB COCCN1CCC(c2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 257330313 XNVYPCSIVOGDLQ-LBPRGKRZSA-N 320.393 1.648 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1F 257321431 WBRAHPXYWIUMMW-CJNGLKHVSA-N 322.380 1.840 0 40 DDAB Cc1cc(CCC(=O)O)cc([C@@H]2CCCN2S(C)(=O)=O)n1 257213599 CIGSVINRTISGGP-ZDUSSCGKSA-N 312.391 1.504 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257299463 RQDJXLGVSZHVAR-LBPRGKRZSA-N 318.333 1.309 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc3ccccc3nc2O)[C@H]1O 257270409 MUCFEKSRBJEVRJ-RBSFLKMASA-N 316.357 1.551 0 40 DDAB C[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(N2CCNC2=O)cc1 263431962 KUKISBZFQFOLJB-INIZCTEOSA-N 317.345 1.296 0 40 DDAB CC(C)(C(=O)O)c1ccc(NS(=O)(=O)Cc2ccon2)cc1 548265440 BHKLCNMHNNYXHE-UHFFFAOYSA-N 324.358 1.979 0 40 DDAB O=C(CCc1nccs1)N1CCCN(C(=O)C2CC2)CC1 275541336 UETMWYXMKSHNDJ-UHFFFAOYSA-N 307.419 1.547 0 40 DDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CC(Cc2ccc(F)cc2)C1 378310165 GYEDAYAAEMCBLR-NSHDSACASA-N 319.380 1.677 0 40 DDAB CCc1cnc(N2CCN(C(=O)C3(C(=O)OC)CC3)CC2)s1 390833936 PDWRLSYRYKDKQP-UHFFFAOYSA-N 323.418 1.307 0 40 DDAB CCN1CC[C@@]2(CN(Cc3cncc(C)n3)CC(F)(F)C2)C1=O 585093290 NMXSIWMSTKCTTE-OAHLLOKOSA-N 324.375 1.865 0 40 DDAB CC(=O)N1CCC[C@]1(CO)CC(=O)NCCc1cccc(F)c1 585280603 LJWGLKXOEFQIJF-QGZVFWFLSA-N 322.380 1.248 0 40 DDAB CC(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@H]1O 585261118 UTNSNNNWICYNHU-HZPDHXFCSA-N 315.373 1.106 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1Cc1cccnc1OC 585094963 XFTBEEGIEVNYBM-CYBMUJFWSA-N 302.378 1.397 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585111886 IFQPUTMVOKPICD-OAHLLOKOSA-N 302.353 1.715 0 40 DDAB O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCOCC1 53548224 PIHGTSLFKFNRDA-CYBMUJFWSA-N 309.435 1.927 0 40 DDAB Cc1ccc(C)c(N(C)CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 54273408 HRHHBPJIFHWWDK-CQSZACIVSA-N 324.446 1.385 0 40 DDAB O=C(CCc1ccncc1)N1CCCN(c2cccnn2)CC1 69817393 BXDRDFPGCKUICR-UHFFFAOYSA-N 311.389 1.543 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccon2)c(C)c1F 97084065 SARUGKOCAHMFJY-UHFFFAOYSA-N 300.311 1.609 0 40 DDAB CCn1nccc1CN1CC[C@H](N=c2ccc3nccn3[nH]2)C1 548677444 FWWSYUXHDRYEIM-ZDUSSCGKSA-N 311.393 1.054 0 40 DDAB COc1ncccc1C(=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 824852603 WDQUTEWGKJSFRN-RYUDHWBXSA-N 313.361 1.690 0 40 DDAB CCCCNC(=O)OCCN(C)CCOC(=O)NCCCC 5513839 DRFMYYOZZMIFDE-UHFFFAOYSA-N 317.430 1.971 0 40 DDAB O=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCCC1 11781337 ZCVYRXOJJZBNTD-UHFFFAOYSA-N 301.321 1.667 0 40 DDAB O=C1NC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 12185673 JWNZFHOUQLUEFT-UHFFFAOYSA-N 324.340 1.231 0 40 DDAB CC(C)(C)C(=O)N[C@H]1CCCc2nc(N3CCOCC3)ncc21 12219833 FYCQKGYVFHMVHQ-ZDUSSCGKSA-N 318.421 1.853 0 40 DDAB O=C1O[C@H](N2CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc21 19842907 ACUNJJKADMFOCP-ZBFHGGJFSA-N 316.357 1.179 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nnc2n1CCCC2 162753894 XBHDPBZIYFKGAE-UHFFFAOYSA-N 314.345 1.567 0 40 DDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 3017995 XEGLSUZHGRIUCU-CYBMUJFWSA-N 310.781 1.755 0 40 DDAB CC1=C(C(N)=O)[C@H](c2ccc(OC(F)F)cc2)n2ncnc2N1 6849173 LCMKRSYKXUWEDC-NSHDSACASA-N 321.287 1.654 0 40 DDAB COc1ccnc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888853128 WFMANXDQPGKUQD-STQMWFEESA-N 324.340 1.111 0 40 DDAB CSc1ncc(C)c(N2CCN(c3ncc(F)cn3)CC2)n1 1888853640 ZNJHODHMKNWUAK-UHFFFAOYSA-N 320.397 1.763 0 40 DDAB O=C(OCc1nnnn1-c1ccccc1)c1n[nH]c2ccccc12 17529128 ZUZCBCXMOFDFAS-UHFFFAOYSA-N 320.312 1.896 0 40 DDAB COc1ccnc(NC[C@H](O)CN2CCc3ccccc3C2)n1 25499921 LDSZPLCJNJCMLC-HNNXBMFYSA-N 314.389 1.316 0 40 DDAB CCn1ncc(Br)c1C(=O)NCc1ccccn1 28223777 PNVPAVLXRNOBAC-UHFFFAOYSA-N 309.167 1.991 0 40 DDAB CCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841159 YNSZWGZGIWWCKP-QGZVFWFLSA-N 302.374 1.821 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@]12CCN(C(=O)c1csnn1)C2 1565549838 GCHNZUYTTNKHJN-QMTHXVAHSA-N 306.391 1.059 0 40 DDAB CCC(=O)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771886 GWDXTITYGDJFMB-INIZCTEOSA-N 304.394 1.137 0 40 DDAB CCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055771863 FIKOSARUNCSQFN-LLVKDONJSA-N 304.394 1.206 0 40 DDAB CC(=O)OC(C)(C)C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390827040 DPVWERFDDAAQCC-ZDUSSCGKSA-N 309.366 1.732 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNCc1cccnc1 30658194 IZFLXKFWVPXZSL-UHFFFAOYSA-N 305.403 1.622 0 40 DDAB CCN(CC)S(=O)(=O)N(C)C[C@H]1COc2ccccc2O1 40488002 GSCRXVQYLYEFTB-LBPRGKRZSA-N 314.407 1.345 0 40 DDAB COCCNC(=O)CN(C)CC(=O)c1c[nH]c2ccccc12 40468503 FPMYQQNUVGDOEG-UHFFFAOYSA-N 303.362 1.045 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H](C)O1 40488144 FJJJSQBPFRRJKN-CHWSQXEVSA-N 316.357 1.739 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccccn1 40497666 NGQZSDMGZQKMKX-ZIAGYGMSSA-N 311.389 1.965 0 40 DDAB 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0 40 DDAB O=C(O)CN(C(=O)c1cccc2cnccc12)C1CCOCC1 563142622 NJSQQEFZFNGDNE-UHFFFAOYSA-N 314.341 1.941 0 40 DDAB COc1cc(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)ccn1 225521233 BNRKMHVMFUNZLM-LBPRGKRZSA-N 300.362 1.543 0 40 DDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccco2)C1 225493054 GQMUFHBLSWJNMT-NSHDSACASA-N 303.318 1.762 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1 40647369 TZEPGWACQDCTRX-UHFFFAOYSA-N 308.403 1.376 0 40 DDAB CCn1ncc(NC(=O)[C@H](C)n2cc3c(n2)c(C)nn3C)c1C 40715030 RTVAAAZOQZIVJT-NSHDSACASA-N 315.381 1.803 0 40 DDAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223596921 AGTIURRRIMFQDY-HUUCEWRRSA-N 316.430 1.868 0 40 DDAB Nc1nc(N2CCO[C@@H]3CCCC[C@@H]32)cc(-n2cccn2)n1 195575526 YQXVRZSKWOHCTC-NWDGAFQWSA-N 300.366 1.392 0 40 DDAB COc1ccc(C(=O)n2ncc3c2c(C)nn3C)cc1OC 41123448 MPUZCSMEFHTDJX-UHFFFAOYSA-N 300.318 1.784 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)(C)CC(=O)O 84144806 BWUNOUCMIAXIFI-UHFFFAOYSA-N 313.375 1.382 0 40 DDAB C[C@H](CNS(C)(=O)=O)Oc1cccc(Br)c1 96428683 RRQDNAYELKXICU-MRVPVSSYSA-N 308.197 1.766 0 40 DDAB CC(=O)N1CCOC[C@]2(CN(Cc3ccc(C)s3)CCO2)C1 96229526 LWEQSRMSWVRERX-INIZCTEOSA-N 324.446 1.506 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(C)cc1 96245764 ULTZYJFUEVYEQS-HZPDHXFCSA-N 316.401 1.386 0 40 DDAB Cc1cc(C)nc(N2CCC(C(=O)Nc3nc(C)n[nH]3)CC2)n1 95474692 JLFFUNLJWGSNIA-UHFFFAOYSA-N 315.381 1.375 0 40 DDAB C[C@H](CNc1cc(-n2cccn2)nc(N)n1)CN1CCCC1 97104575 NFUZGVXXOMQIED-GFCCVEGCSA-N 301.398 1.388 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(Cc1cnn(C)c1)CC2 96047516 BQNJFTIATOAVFR-QGZVFWFLSA-N 320.437 1.414 0 40 DDAB Fc1cnc(N2CCC[C@@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 96158346 HPCIPRYVNUJZCO-ZBFHGGJFSA-N 306.385 1.697 0 40 DDAB COc1c(N)ccc2c1CCC[C@@H](N1CCN(CCO)CC1)C2 146919413 HMMXKBHUBMUIFA-OAHLLOKOSA-N 319.449 1.135 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)N(C)C)o1 96056537 PYVCNJHKWOJWET-HUUCEWRRSA-N 319.405 1.242 0 40 DDAB c1csc(CN2CC[C@@H]3[C@@H](CO[C@H]3CN3CCOCC3)C2)c1 96056209 DLLAUVXZGITOCF-OIISXLGYSA-N 322.474 1.917 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn21 247953097 NAAQVRHPAMQBCW-ZDUSSCGKSA-N 318.402 1.207 0 40 DDAB NC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2cccnc2)s1 257339779 ZDDHAIZCNVZKRZ-LLVKDONJSA-N 316.386 1.543 0 40 DDAB CCc1cc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)no1 257298419 RLNARPVOHKQAKA-HNNXBMFYSA-N 316.361 1.736 0 40 DDAB CN1[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]3CC[C@H]1[C@](C)(C2)[C@@H]3O 257248650 JEPUQJLSHRVOBB-FDPKGLCPSA-N 315.417 1.387 0 40 DDAB COCC(=O)N1C[C@@H](c2nc(C)no2)[C@H](c2ccccc2)C1 253472987 QWGZESQTTMZQRP-UONOGXRCSA-N 301.346 1.734 0 40 DDAB Cc1cc(CC[C@H]2CCCN2C(=O)CN2CCOCC2)ccn1 257271099 MWVXQEOARPITPV-QGZVFWFLSA-N 317.433 1.646 0 40 DDAB CC(C)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](C(N)=O)C1 257215570 CQRXGRXBAWTOFB-OAHLLOKOSA-N 321.396 1.165 0 40 DDAB CCC(=O)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257279174 OFIXHYLPZUDXKO-PSLIRLAXSA-N 307.350 1.593 0 40 DDAB CC(C)n1ncnc1CN1CCN(Cc2ccncc2)CC1 279714402 KTPBHGDIRUJLQN-UHFFFAOYSA-N 300.410 1.572 0 40 DDAB Cc1cc(S(=O)(=O)N(C)c2cnn(C)c2)cc(C(=O)O)c1C 295224524 RPKIORXYYCLPCX-UHFFFAOYSA-N 323.374 1.560 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NC2CCC2)C1 585095965 HRIUPCFCIRGYNE-DDTOSNHZSA-N 302.378 1.091 0 40 DDAB Cc1cc(Cl)ccc1OCCCNC(=O)Cn1cnnn1 57002249 PBLVBFFDHBBCRK-UHFFFAOYSA-N 309.757 1.220 0 40 DDAB Cc1oncc1C(=O)NCC1CCN(c2ncccn2)CC1 96025851 GAANYGOIRJTDJL-UHFFFAOYSA-N 301.350 1.419 0 40 DDAB COc1ccc(N(CN2C(=O)CC[C@H]2C(=O)O)C(C)=O)cc1 5602027 GOVRLRGPOPNZQN-ZDUSSCGKSA-N 306.318 1.081 0 40 DDAB CC(C)CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580406 CWYCUDPCSWPJDI-UHFFFAOYSA-N 310.419 1.785 0 40 DDAB Cn1cc(C(=O)N(CCc2cccs2)C2CCOCC2)nn1 206676999 DGCXKPBUUCXKNW-UHFFFAOYSA-N 320.418 1.741 0 40 DDAB Cc1ccccc1OCC(=O)N[C@@H](Cn1nccn1)C(C)C 238908908 SBAFEROBUOHIPU-AWEZNQCLSA-N 302.378 1.806 0 40 DDAB CN1CCN(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 20494720 DGOUKWKAEDMKRB-UHFFFAOYSA-N 305.378 1.034 0 40 DDAB O=C(c1cn(C[C@H](O)c2cccs2)nn1)N1CCSCC1 390828278 PRMISJHGCRJBIR-NSHDSACASA-N 324.431 1.262 0 40 DDAB CCN(CC)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 4505044 IQKPJDURESWIHC-UHFFFAOYSA-N 319.361 1.241 0 40 DDAB c1cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)ncn1 1889139531 VBRPIKYBFUXURN-UHFFFAOYSA-N 321.388 1.723 0 40 DDAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2ncon2)C1 238873281 NKPJJHJIITUHPQ-SSDOTTSWSA-N 319.795 1.963 0 40 DDAB Cc1ccc(-n2ccn(C[C@@H]3CCCO3)c(=O)c2=O)cc1F 2086968277 MZJUTZZUWGGCCT-ZDUSSCGKSA-N 304.321 1.626 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1)N1CCCC1 1565549620 WJUIATOHEFYECV-YNEHKIRRSA-N 310.369 1.117 0 40 DDAB O=C(c1cc[nH]c1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565546277 YAZWWQNCTXDAPQ-UHFFFAOYSA-N 323.418 1.091 0 40 DDAB CN1CCC(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 22999041 HXIFFQRVWANEHQ-UHFFFAOYSA-N 311.332 1.361 0 40 DDAB O=C(c1ccncc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705907 MNLBBFKRIRONJK-UHFFFAOYSA-N 321.384 1.916 0 40 DDAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2nccn3nccc23)C1 2298179366 SFEVWLJJLQUXOQ-GFCCVEGCSA-N 301.394 1.860 0 40 DDAB Cn1c(=O)n(C[C@@H](O)COCc2ccco2)c2ccccc21 23022780 WKHAJKPZTLDFIA-GFCCVEGCSA-N 302.330 1.511 0 40 DDAB COC(=O)[C@@](O)(c1ccccc1)[C@H]1C(=O)N(C)c2ccccc21 20031724 OHZMQWAFNSGLKZ-CRAIPNDOSA-N 311.337 1.807 0 40 DDAB CCOC(=O)/C=C(\N)N1CCN(c2c(C)cccc2C)CC1 100218110 YMAWGMYOFSASPH-NTCAYCPXSA-N 303.406 1.789 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100846360 CNSGYHNQURHNQW-ADAWSYLGSA-N 313.353 1.532 0 40 DDAB C[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCC1 40522511 JWWUVCJRQOYFJL-LBPRGKRZSA-N 314.389 1.148 0 40 DDAB NC(=O)CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 40540750 KQELHNZQPCXHFR-AWEZNQCLSA-N 310.369 1.153 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 51381642 SSYRDFWZTSQQAC-MLGOLLRUSA-N 306.362 1.393 0 40 DDAB O=C(Cc1ccccc1)NCCNC(=O)C1[C@@H]2CCCC[C@@H]12 101407518 YEYXFEZBQDOZHR-HUUCEWRRSA-N 300.402 1.898 0 40 DDAB CNC(=O)c1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 20963407 OPECALAMFIPQJC-RYUDHWBXSA-N 305.378 1.094 0 40 DDAB Cc1cccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)n1 32831933 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O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2nccn2C1 104141108 XKUPPADKEDPHSG-DGCLKSJQSA-N 310.357 1.440 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H]1CCc2nccn2C1 97197661 LUGWZKCQQMXMIC-ZDUSSCGKSA-N 322.372 1.517 0 40 DDAB C[C@H](NC(=O)c1cccnc1)c1ccc(S(N)(=O)=O)cc1 23445713 BPXAMHRZIIAGGY-JTQLQIEISA-N 305.359 1.220 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COCc1ccccc1 24101818 RGMJNEBYBJSOCV-HNNXBMFYSA-N 317.385 1.883 0 40 DDAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC(N)=O)n2)cc1 8484193 ZMOQDSAKFVVIOB-MRVPVSSYSA-N 319.390 1.710 0 40 DDAB CCN(CC)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 24745530 JAQKUBGMUNYYGB-LBPRGKRZSA-N 310.419 1.906 0 40 DDAB CCCC(=O)N1CCC(C(=O)NCCN2CCC[C@H](C)C2)CC1 55377962 MCDHREWOACOIGZ-HNNXBMFYSA-N 323.481 1.873 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2n[nH]c3c2CCCC3)CC1 8740817 LYYQUVRZHILNAY-UHFFFAOYSA-N 320.393 1.639 0 40 DDAB CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OC)s1 9361189 JEWDNDACCOHSDP-UHFFFAOYSA-N 321.358 1.905 0 40 DDAB NC[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1 100766712 LQXUWCNNBYJVJC-WOVMCDHWSA-N 316.449 1.491 0 40 DDAB COCCN1CC2(CCC1=O)CCN(Cc1cccnc1)CC2 108529667 TZASNPVJCSLWDB-UHFFFAOYSA-N 317.433 1.933 0 40 DDAB O=C1CN(Cc2c(-c3ccccc3)nc3ccccn23)CCN1 57722483 KXAWWQPILBSSRJ-UHFFFAOYSA-N 306.369 1.933 0 40 DDAB O=C1C[C@H](n2nnn(C3CCCCC3)c2=S)[C@H]2CO[C@H]1O2 103282287 OSLIUMOXEHSZFA-WCQGTBRESA-N 310.379 1.570 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCCO1 27397133 BEGYBPJWWLKWNQ-GFCCVEGCSA-N 302.334 1.359 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CCS(=O)(=O)C1 54026047 RIANMEOZWOBTPI-LBPRGKRZSA-N 321.402 1.197 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)NC[C@@H]1CCOC1 62083826 GUMRFOPPRDUYNL-NSHDSACASA-N 308.334 1.130 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1cccc(O)c1 58202792 FETHKYWQNNBPST-UHFFFAOYSA-N 323.352 1.461 0 40 DDAB COc1ccc(CN(C)C(=O)[C@H](C)n2cncn2)cc1OC 44908766 XAIIFOSLCZKQDQ-NSHDSACASA-N 304.350 1.515 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccoc1 44973713 WZNRYJBVNZAFQT-JQWIXIFHSA-N 310.350 1.102 0 40 DDAB Cc1cccc(C[C@@H](CO)CNC[C@@H]2CNc3ccnn3C2)c1 58328414 QHZBGMVFRKLEKR-IAGOWNOFSA-N 314.433 1.674 0 40 DDAB CCN(Cc1ccco1)C(=O)c1cnc2n(c1=O)CCS2 45441568 CGFITEXJZXAIDR-UHFFFAOYSA-N 305.359 1.604 0 40 DDAB CCCNC(=O)CN1CCC(NC(=O)CCc2ccco2)CC1 29220159 RBOOTLCMIQJNPK-UHFFFAOYSA-N 321.421 1.319 0 40 DDAB O=C(CN(Cc1ccccc1)C1CC1)N[C@@H]1CCCCNC1=O 46054208 DVNJSOFZPCZWGA-MRXNPFEDSA-N 315.417 1.436 0 40 DDAB COc1cc(SC)ccc1C(=O)NCc1nnc2n1CCC2 12995165 VVXFBEWESJNKSL-UHFFFAOYSA-N 318.402 1.885 0 40 DDAB CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)[nH]1 69527948 MVNPDDAFJCYYOM-ZJUUUORDSA-N 324.337 1.090 0 40 DDAB COc1ccc(CCC(=O)N2CCC[C@H](C(=O)O)C2)cc1OC 13170789 QPUCEXBJXSOSNV-ZDUSSCGKSA-N 321.373 1.960 0 40 DDAB O=C1NC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)c3cccc1c23 17903477 RMXVTUATLLZDSB-ZDUSSCGKSA-N 310.309 1.841 0 40 DDAB O[C@@H](CN[C@H]1CCc2ncnn2C1)COc1ccc(Cl)cc1 69875523 PGWPXZZEVSNHTP-STQMWFEESA-N 322.796 1.276 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1nncn1C 65563143 XOOQEVZSGATCLV-DGCLKSJQSA-N 300.366 1.818 0 40 DDAB CCCN(CC)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 65593008 OZNGTKOQQJILLH-CQSZACIVSA-N 324.446 1.840 0 40 DDAB O=C(O)CC[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)O 14162534 YIPVZWDTHNZXOZ-CQSZACIVSA-N 315.325 1.817 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C1 65608151 WHTZUAXRFIDPAE-KBPBESRZSA-N 322.409 1.192 0 40 DDAB CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 4572652 PXNFOBAFXUEBBN-GQCTYLIASA-N 300.771 1.288 0 40 DDAB O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 5996077 BPVUFGBMXKHRQH-NSHDSACASA-N 300.717 1.254 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cccc(O)c1)C(=O)OC 7101436 DJTULOINOYHLCN-IINYFYTJSA-N 323.345 1.253 0 40 DDAB CCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209383 KTHGHPHECKYFGC-CYBMUJFWSA-N 324.402 1.201 0 40 DDAB CCNC(=O)N1CCN(C(=O)c2nccc3ccccc23)CC1 68238576 BALROTAHJYKXRB-UHFFFAOYSA-N 312.373 1.722 0 40 DDAB CN(Cc1ccsc1)C(=O)CSc1nnc(N)s1 8066668 SJPWCZCVXGFMHG-UHFFFAOYSA-N 300.434 1.933 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccc(N2CCCC2)cc1 8162090 NLWTZQIARCJVPK-UHFFFAOYSA-N 305.403 1.758 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@@H](CCSC)C(=O)O)c1 8274288 ZDINCSSCZSUAJU-LBPRGKRZSA-N 313.375 1.640 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cnc3ccccc3n1)C2 69483774 VWYLQTPSUQDGHJ-UHFFFAOYSA-N 308.345 1.440 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CCn4c(C)nnc4C3)cc12 69458048 GLZDAVFPRIREPO-UHFFFAOYSA-N 316.390 1.499 0 40 DDAB C[C@H](OC(=O)c1nccnc1N)C(=O)NC1CCCCCC1 17104506 UNGSWTISRYVSKK-JTQLQIEISA-N 306.366 1.443 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](n3cncn3)C2)c1C 71847106 VYXXVJDUHGAEDX-ZDUSSCGKSA-N 315.377 1.903 0 40 DDAB O=C(CN1CCC(Nc2ncccc2F)CC1)N1CCCC1 84485045 YTBVVQZNZVDZDM-UHFFFAOYSA-N 306.385 1.719 0 40 DDAB C[C@@]1(c2ccc(NC(=O)Cc3cccnc3)cc2)NC(=O)NC1=O 95395217 BPVRUMJOFSCFAI-KRWDZBQOSA-N 324.340 1.317 0 40 DDAB NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCCCF)c1 95450186 ZHGSOSFFXNEOQH-UHFFFAOYSA-N 312.725 1.216 0 40 DDAB CN1C[C@@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CCC1=O 72294252 FZNHCZNUOJKPPH-ZDUSSCGKSA-N 313.361 1.819 0 40 DDAB COc1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 72268912 UNSBTCKUIDTYHG-CVEARBPZSA-N 304.390 1.366 0 40 DDAB CN(C)c1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)c(F)c1 95433607 ACHRIFBSEYAIRK-LBPRGKRZSA-N 307.369 1.762 0 40 DDAB CNS(=O)(=O)c1ccc([C@H](C)NCCc2ccccn2)cc1 95419166 IADQBFBMKBWNAB-ZDUSSCGKSA-N 319.430 1.883 0 40 DDAB Cc1cc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ncn1 95413929 YJPALZYTTKSSMD-DLBZAZTESA-N 310.401 1.875 0 40 DDAB CC[C@H](C(=O)Nc1cnn(-c2ccccn2)c1)N1CCCC1=O 73908013 WKSLQWXMHQMHJE-CYBMUJFWSA-N 313.361 1.607 0 40 DDAB C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCC(=O)N(C)C1 95968251 ZYBBHLWTSJEMRL-GXSJLCMTSA-N 315.215 1.245 0 40 DDAB CC(=O)N1CCCN(C(=O)c2ccc(NC3CC3)nc2)CC1 95955109 JTJTVCVUDUSMQO-UHFFFAOYSA-N 302.378 1.350 0 40 DDAB COCCN1CCC(CNC(=O)c2cnn(C)c2C2CC2)CC1 89741031 YENLXJYFLBNFCX-UHFFFAOYSA-N 320.437 1.386 0 40 DDAB OC[C@@H](O)CSCc1nc(-c2ccc(Cl)cc2)no1 89793862 MBPBEAXCIZQHLG-SNVBAGLBSA-N 300.767 1.976 0 40 DDAB O=C(NCc1cn[nH]n1)[C@H]1CCCN1c1ncnc2ccccc12 89872913 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CCS(=O)(=O)NCCN1CC[C@@H](C)C[C@@H]1c1ccco1 76184336 VDSMDQTXSYTYTO-CHWSQXEVSA-N 300.424 1.992 0 40 DDAB CC(C)c1ocnc1C(=O)Nc1ccc(S(C)(=O)=O)nc1 78876333 DFSKSDDJTUUOBX-UHFFFAOYSA-N 309.347 1.849 0 40 DDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1F 71980019 NSDLPURTNFOZEU-ZDUSSCGKSA-N 322.336 1.173 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC[C@@H](O)c1cccs1 77114605 ZKVZBNCJCUPPLQ-SNVBAGLBSA-N 316.404 1.755 0 40 DDAB COCCNC(=S)NC1CCN(Cc2ccccn2)CC1 44222054 IVHOWIWGOSTXKR-UHFFFAOYSA-N 308.451 1.157 0 40 DDAB Cc1cc(Cl)cnc1NC(=S)NCCN1CCOCC1 223892368 IHHVVXHGOHSQOP-UHFFFAOYSA-N 314.842 1.662 0 40 DDAB C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCC(C(=O)O)CC3)nn12 568396630 QQUKQHZMJWQECU-KOLCDFICSA-N 301.350 1.549 0 40 DDAB O=C(/C=C/c1ccco1)NCc1nc(-c2cc[nH]c(=O)c2)no1 225800639 CUSOXKNKCVWKJR-ONEGZZNKSA-N 312.285 1.348 0 40 DDAB Cc1cc(C)cc([C@H](O)CNC(=O)NCCc2ccnn2C)c1 225759748 HETFAHTXVRHHAV-MRXNPFEDSA-N 316.405 1.612 0 40 DDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cccc(Cl)c1)CC2 225787953 YZFPTBNJMACQBF-ZDUSSCGKSA-N 317.776 1.721 0 40 DDAB Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H](C)C(=O)N(C)C 192361523 ZYOVENXRJVUORY-LBPRGKRZSA-N 306.410 1.968 0 40 DDAB C[C@H]1CSCCN(CC(O)CN2CCSC[C@H](C)C2)C1 194838478 XMWWNFXRYIHHKE-ZIAGYGMSSA-N 318.552 1.717 0 40 DDAB O=C(O)CCC(=O)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 96220099 RADJFCPEBFNEHE-CJNGLKHVSA-N 319.361 1.118 0 40 DDAB O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC1CCC1)C2 96038721 UPPKGTIUEIBJDB-NVXWUHKLSA-N 308.422 1.126 0 40 DDAB O=C([C@@H]1CCCO1)N1CCc2ncnc(NC3CCC3)c2CC1 96255789 HWBQBTFWJDNMAP-HNNXBMFYSA-N 316.405 1.547 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 96056476 WMMOKPFNHUTKSU-IAGOWNOFSA-N 319.424 1.953 0 40 DDAB O=C1COc2cc(NC(=O)NCCc3ccccn3)ccc2N1 97463803 PJQIPKVLHYOGNL-UHFFFAOYSA-N 312.329 1.777 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072537 LRMCXNJJUKERNN-ZMSDIMECSA-N 318.373 1.399 0 40 DDAB Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2CCC(=O)N2)n1 96473681 KXZCHEHQEOCIFM-CQSZACIVSA-N 312.373 1.384 0 40 DDAB C[C@H]1CCCCN1C(=O)c1ccc(OCc2nnnn2C)cc1 96101298 XTPSRKPUQVIGFW-LBPRGKRZSA-N 315.377 1.804 0 40 DDAB COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1 96181509 BXJLHFIVPMLSSO-HZPDHXFCSA-N 320.389 1.046 0 40 DDAB Cc1noc([C@H]2CO[C@@H]3CN(C(=O)Cc4cccs4)C[C@@H]32)n1 96216041 BJKXGIVWEDPVAQ-FRRDWIJNSA-N 319.386 1.623 0 40 DDAB CCCN1C[C@H](CNC(=O)N2C[C@H](C)O[C@H](C3CC3)C2)CC1=O 333621003 ZLHDIBQSYCIKKU-YDHLFZDLSA-N 323.437 1.454 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCC(F)CC1 96038633 HPOWQSSBXMXGNG-FVQBIDKESA-N 310.413 1.551 0 40 DDAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cncn3C)C2)C1 96076248 OOJHICJVDOSAHH-KRWDZBQOSA-N 320.437 1.383 0 40 DDAB Cc1ccc(N2CC3(C2)OCC[C@@H]3COc2cccnc2)nn1 247951051 YIXJAZIPGITGHA-CQSZACIVSA-N 312.373 1.854 0 40 DDAB COc1ccc(CC(=O)N2CC3(C[C@H](OC)CS3)C2)cc1 247908797 IYHCIBZUPIUQBR-AWEZNQCLSA-N 307.415 1.971 0 40 DDAB CCCn1cc(Cl)c(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)n1 257223220 DWKMTYITIOCCMJ-FZMZJTMJSA-N 313.785 1.312 0 40 DDAB O=C(/C=C/c1ccccc1F)N1CC[C@@](O)(CN2CCCC2)C1 257247162 IXSVXAFRBRVWTQ-LKGOPFMKSA-N 318.392 1.898 0 40 DDAB CCOC(=O)[C@H]1C(=O)OC[C@H]1c1cc(OC)c(OC)c(OC)c1 252492336 MJFATMGGXKBQHS-GWCFXTLKSA-N 324.329 1.532 0 40 DDAB CC1(c2nccs2)CCN(CC(=O)N2CCOCC2)CC1 257201559 AIDOKQCZVVBZRB-UHFFFAOYSA-N 309.435 1.355 0 40 DDAB O=C(CCc1cccc(F)c1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257221175 DNUVTUQHWRTTPO-JFIYKMOQSA-N 320.408 1.862 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2cccs2)CCO1 257301048 RWUALCVAVJZCBG-LBPRGKRZSA-N 318.402 1.722 0 40 DDAB Cc1ncoc1C(=O)N1CCOC[C@H]1CCc1cnccn1 257216973 CWXZXTJEUNKBSK-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB CCc1noc(C)c1C(=O)N1CC[C@@]2(CCCO2)[C@@H](OC)C1 257331230 XRXOKJDTDBBOPN-BBRMVZONSA-N 308.378 1.956 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccsc3)C[C@@H]2N1C1CCOCC1 257207148 BGNZJKYPRUFHCY-GJZGRUSLSA-N 322.430 1.339 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2nccn2C)C1 257302941 SFBHWSPLPRQGOX-LBPRGKRZSA-N 314.393 1.347 0 40 DDAB Cc1ncc(CN2CCN(C(=O)CCn3cccn3)CC2)s1 264770320 OEZMIUMGBWMFQL-UHFFFAOYSA-N 319.434 1.383 0 40 DDAB CCOCC(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 85472684 ZXJCXJFOEMLVSC-KRWDZBQOSA-N 302.418 1.941 0 40 DDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)C2CC=CC2)CC1 96449542 CYLDKPBRJXMLKB-HNNXBMFYSA-N 319.449 1.498 0 40 DDAB C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 95433446 AGEVPSSSWXEJFS-VHSXEESVSA-N 305.346 1.746 0 40 DDAB Cc1occc1-c1nn(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)o1 12154213 RVUYZLMVPPSPHS-GHMZBOCLSA-N 319.361 1.909 0 40 DDAB O=C(NC1(c2ccc(Cl)cc2)CC1)[C@H]1CCS(=O)(=O)C1 12362033 PJVHTXOYKRGNCK-JTQLQIEISA-N 313.806 1.880 0 40 DDAB COc1cc(OC)c(OC)cc1CN1C(=O)[C@@H](C)NC1=S 15570340 IJYMLQHTHAXNLM-MRVPVSSYSA-N 310.375 1.318 0 40 DDAB O=S(=O)(C[C@@H](O)c1ccccc1)C[C@H](O)c1ccccc1 17354624 LCYLPHIZRTWPLF-IYBDPMFKSA-N 306.383 1.868 0 40 DDAB CCN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 6325828 NBQMIPWGUUZHQB-YRNVUSSQSA-N 306.343 1.607 0 40 DDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cccnc3)cc21 1889007681 AMJSIIINODCTSG-UHFFFAOYSA-N 305.315 1.327 0 40 DDAB Cc1csc2c(N3CCO[C@H](C(=O)NC4CC4)C3)ncnc12 1889085219 HVNXXRCJKNRGNE-NSHDSACASA-N 318.402 1.484 0 40 DDAB COc1cc(C(=O)NCCCn2cccn2)cc2c1OCCO2 30169677 QDHIVHSJIZHVRX-UHFFFAOYSA-N 317.345 1.483 0 40 DDAB Cc1ncnc(N2CCN(c3ncc(Cl)cn3)CC2)c1C 1776009473 OLQNRFVJTRJYPF-UHFFFAOYSA-N 304.785 1.863 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)N1CCOCC1 244998638 KNKQXJIYYNTCQC-HDJSIYSDSA-N 305.378 1.813 0 40 DDAB Cc1cnccc1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037981003 QEIGBOBUZDPSFM-KRWDZBQOSA-N 303.406 1.603 0 40 DDAB COc1ccc(/C=C/C(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 4505156 AYTJQBLFHSZUEK-FSNWXROXSA-N 323.414 1.744 0 40 DDAB C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 12141026 ATNCNDQPUGYLAV-MJBXVCDLSA-N 317.389 1.611 0 40 DDAB COc1ccc2oc(=O)c(S(=O)(=O)N3CCCCC3)cc2c1 15862188 MKZAVBTZJBEEFD-UHFFFAOYSA-N 323.370 1.976 0 40 DDAB O=C(NC1CCC1)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055718023 WBYHESVDWQFBCD-NSHDSACASA-N 316.405 1.397 0 40 DDAB O=C(C1CC1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 2055835452 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DDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1C 207981366 ZEWNYWJXBIEOCZ-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB COC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193566 DKMAKXIIBIQGDS-ZYHUDNBSSA-N 309.341 1.265 0 40 DDAB CCC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O 11804170 IZUGHSSVIHUXDW-JTQLQIEISA-N 305.327 1.366 0 40 DDAB O=c1[nH]n([C@@H]2C=C[C@H]3[C@H]4C=C[C@@H](C4)[C@@H]23)c(=O)n1-c1ccccc1 245239137 FQVQAXRHYGQZAT-RHMLRGBNSA-N 307.353 1.877 0 40 DDAB Cc1cc(C(=O)OCC(=O)N2CCOCC2)c2ccccc2n1 2629653 OWEPKHIUSDFPNK-UHFFFAOYSA-N 314.341 1.559 0 40 DDAB c1ccc(-c2ccc(N3CCN(Cc4ncon4)CC3)nn2)cc1 1888888031 GBNKNFXUSJYTPE-UHFFFAOYSA-N 322.372 1.849 0 40 DDAB O=C1CS[C@H](c2ccc(O)cc2)N1CCN1CCOCC1 19799364 FDZYNDUPRDTKGC-OAHLLOKOSA-N 308.403 1.298 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@H](C)n2cncn2)CC1 29748869 UJADSUGFXLYWAF-ZDUSSCGKSA-N 315.377 1.197 0 40 DDAB C[C@@H](N)[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 163190801 NOBFQGPMBKPHPR-JMCQJSRRSA-N 304.724 1.806 0 40 DDAB CC(C)CN1CC[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2CC1 2056223565 SMXUKTLLHSNIFN-GASCZTMLSA-N 302.422 1.917 0 40 DDAB COc1ccccc1OCC(=O)N1CC(OC[C@@H]2CCOC2)C1 1565522701 OLOPFVPVTUWMHV-CYBMUJFWSA-N 321.373 1.338 0 40 DDAB O=C1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1CC1CCC1 1565544664 NOONNNDWKIAPTA-UHFFFAOYSA-N 316.405 1.665 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn(C)c1=O)C2 1565547367 ORASEIGBZGYTRB-PBHICJAKSA-N 320.389 1.043 0 40 DDAB O=C([C@@H]1CCOC1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 1565551224 BHDWHVFJNNHDGG-WBMJQRKESA-N 320.414 1.740 0 40 DDAB COC(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)OC 4323446 LYMRAMBOFCCBCN-UHFFFAOYSA-N 320.267 1.379 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NCC3CCC3)ncn2C1 2055718039 XKDCKHZZCCMSST-CYBMUJFWSA-N 318.421 1.500 0 40 DDAB O=S(=O)(c1ccccc1Cl)N1CC(Nc2cccnn2)C1 585148735 ARVHUTVVJYFIBS-UHFFFAOYSA-N 324.793 1.615 0 40 DDAB COc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1Cl 30329351 RJMDPQQHJWNLKA-SECBINFHSA-N 305.783 1.758 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 30304843 KCOJTYUNFRHEGU-IAQYHMDHSA-N 314.341 1.935 0 40 DDAB C[C@H](COc1ccc(F)cc1)NC(=O)NCCc1cnn(C)c1 50146481 DRKQQIFAKBDKAQ-GFCCVEGCSA-N 320.368 1.868 0 40 DDAB COc1ncccc1NC(=O)NC[C@H](C(C)C)N1CCOCC1 40121654 XTQYUWXPXHTRFX-CQSZACIVSA-N 322.409 1.569 0 40 DDAB Cc1ccc(NC(=O)NCCCN2CCN(C)CC2)c(F)c1 40477744 ARIXKTDHYFINSH-UHFFFAOYSA-N 308.401 1.893 0 40 DDAB COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 40498642 UITIPDCYHSMATD-RYUDHWBXSA-N 311.403 1.649 0 40 DDAB Nc1ncc(Br)cc1S(=O)(=O)N1CCCC1 20467594 REGMSELTKFOMKU-UHFFFAOYSA-N 306.185 1.211 0 40 DDAB Cn1c(C(=O)N[C@H]2CCCCNC2=O)cc(Cl)c1Cl 40540807 OGXWVQODBYGGCY-QMMMGPOBSA-N 304.177 1.730 0 40 DDAB CN(CCc1ccccn1)C(=S)NCCCN1CCOCC1 20665433 JZGAJPDOYYXBAF-UHFFFAOYSA-N 322.478 1.153 0 40 DDAB COc1ccc(C2=NO[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1 20605898 NNDAMCDDQQPIEO-MRXNPFEDSA-N 317.389 1.399 0 40 DDAB C[C@H](Nc1ccc(F)c(NC(=O)C2CC2)c1)C(=O)NC(N)=O 32771698 OWDSYKWONFZSAT-ZETCQYMHSA-N 308.313 1.170 0 40 DDAB C[C@@H]1c2ccsc2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O 52568201 GVUXKYRALVYJLV-SCZZXKLOSA-N 307.375 1.182 0 40 DDAB CCCN(C(=O)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 69417849 XGSSMLDZYURAHY-NSHDSACASA-N 301.433 1.716 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H](C)O1 29748116 VVWBKUAUWFVIFQ-HZSPNIEDSA-N 304.394 1.329 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C1=O 37197463 YOTPVJGOCUUASL-GWCFXTLKSA-N 319.327 1.939 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)cn1 32913267 URGBUYCKJZQFBT-GFCCVEGCSA-N 320.393 1.859 0 40 DDAB CCOC(=O)[C@@H]1CSCCN1C(=O)COc1ccccc1C 32903633 GPBJUYSWXOCYOE-ZDUSSCGKSA-N 323.414 1.881 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2cc(C)nc(C)n12 32922568 HJXBMGQJUASZDI-MRVPVSSYSA-N 322.394 1.067 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCCn2ncnc21 78556765 LUIJIOXTOLHIMK-UHFFFAOYSA-N 304.375 1.366 0 40 DDAB COc1nc(=O)n([C@@H]2CCCO2)cc1I 4962492 TURUCRGGIUKFGF-ZETCQYMHSA-N 322.102 1.166 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@H](c2cccs2)N(C)C)n1 41953423 CTBSADPTQKWSCQ-CYBMUJFWSA-N 306.435 1.981 0 40 DDAB NC(=O)Cn1cc(NC(=O)CCc2cccc(Cl)c2)cn1 53413849 LZFCMQYHBJMOLB-UHFFFAOYSA-N 306.753 1.593 0 40 DDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)N1CCCC1 53521750 JNPVPJBVVHDSBE-ZDUSSCGKSA-N 309.435 1.927 0 40 DDAB O=C(CN1CCN(Cc2ccccc2)CC1)NC1CCCC1 22923054 SMHLTJMXJNETGE-UHFFFAOYSA-N 301.434 1.863 0 40 DDAB CN(CC(N)=O)C(=O)COc1ccc(Oc2ccccc2)cc1 47109410 MRKMAXJEFDPBGZ-UHFFFAOYSA-N 314.341 1.801 0 40 DDAB Cc1nn(CC(=O)O)c2nc(-c3ccco3)cc(C(=O)O)c12 12395889 HQBJHWKAWILPQL-UHFFFAOYSA-N 301.258 1.783 0 40 DDAB CN1CCN(CN2C(=O)S/C(=C\c3ccccc3)C2=O)CC1 33845013 HWEQTVSBWFUEBM-KAMYIIQDSA-N 317.414 1.928 0 40 DDAB CN(CCOc1ccc(F)cc1)C(=O)C1=NN(C)C(=O)CC1 24188126 WBZXCHMQGGCZQR-UHFFFAOYSA-N 307.325 1.271 0 40 DDAB C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(N)=O 3118093 OCFYTKZXDSNICX-WCQYABFASA-N 308.378 1.970 0 40 DDAB COC(=O)C1(NC(=O)[C@@H]2Cc3ccccc3O2)CCCCC1 25175002 WKSWWFLOKDSOMM-AWEZNQCLSA-N 303.358 1.982 0 40 DDAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCO1 25402762 PEWMJHUSSPTCPN-GFCCVEGCSA-N 311.765 1.949 0 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48712397 FQTHNYSNXINMNJ-UHFFFAOYSA-N 312.421 1.828 0 40 DDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ccco1 69588976 SXFDBNSOQYGEFN-UHFFFAOYSA-N 317.349 1.526 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 13146585 OLHMEUBJVMFKGS-USZNOCQGSA-N 320.732 1.147 0 40 DDAB Cc1cnn(C2CN([C@@H](C)C(=O)Nc3ccnn3C(C)C)C2)c1 69659106 HNDOJXKXHGICLO-ZDUSSCGKSA-N 316.409 1.853 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN[C@H]1CCc2ncnn2C1 69707477 PLYMVXSSWKJBFT-OCCSQVGLSA-N 311.389 1.160 0 40 DDAB CCN(CCC(F)(F)F)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 110625093 XXUWEKSVBRIJGF-VHSXEESVSA-N 318.361 1.615 0 40 DDAB Cc1ccc2cccc(NC(=O)C(=O)N3CCC(O)CC3)c2n1 69895452 VGARRTMBTFEUDC-UHFFFAOYSA-N 313.357 1.465 0 40 DDAB c1csc(-c2noc(CN[C@@H]3CCc4ncnn4C3)n2)c1 69873057 VZNNKMPIVMBIFF-SECBINFHSA-N 302.363 1.494 0 40 DDAB CCCCn1nnnc1CN1CCc2ncnc(OCC)c2C1 65467423 WKPUJSDKGCYXDC-UHFFFAOYSA-N 317.397 1.220 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccco1)C2=O 4469347 XKAVKQKEYKMXBI-UHFFFAOYSA-N 319.361 1.397 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCOCC2)C1=O 14137918 OLMSMMPTQSYHHC-LBPRGKRZSA-N 304.346 1.049 0 40 DDAB CN(C)c1nc(N)nc(COc2ccc3ccc(=O)oc3c2)n1 14166593 SLXMTMXAWODJEC-UHFFFAOYSA-N 313.317 1.205 0 40 DDAB Cc1cccc(N(CCC(N)=O)CC(=O)NC2CCCC2)c1 65623022 LEKWJHJWDCFMBF-UHFFFAOYSA-N 303.406 1.736 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(F)cc2)c1 5414166 AAKUSBGEXCCWGR-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB CSc1nc2n(n1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 4731527 KNBZBKUGDBASSU-SECBINFHSA-N 303.347 1.522 0 40 DDAB CC(=O)NCCNC(=O)CN1CCC[C@@H](c2ccccc2)CC1 66898406 LIKLHAYAYNFTQQ-QGZVFWFLSA-N 317.433 1.508 0 40 DDAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1-n1cnnn1 67512132 MZWDWNDGMGBVPN-LSDHHAIUSA-N 305.341 1.948 0 40 DDAB CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(C)ccc21 408713218 OMUFEEPZCRHOCF-UHFFFAOYSA-N 313.401 1.717 0 40 DDAB CN(C)C(=O)c1cc(NCC(=O)N2CCNC2=O)ccc1Cl 68963887 IIDWYNMQWGHMSN-UHFFFAOYSA-N 324.768 1.006 0 40 DDAB O=C1CCC(=O)N1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 96008278 CPEAQIXQGFSWLC-UHFFFAOYSA-N 308.700 1.709 0 40 DDAB O=C(Cc1ccccc1)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 72404734 CDYUEZFYDPFJQF-UHFFFAOYSA-N 308.341 1.874 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCCN1CCOCC1 19877538 YSRAMFXXVCRGFP-UHFFFAOYSA-N 312.797 1.801 0 40 DDAB CCc1cnc(N2CCN(CC(=O)N3CCCC3)CC2)s1 96441513 QMFWZZUZVBVWBJ-UHFFFAOYSA-N 308.451 1.450 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)OC[C@H]1CCCCO1 71805618 RVSLIUFLURDHCK-CQSZACIVSA-N 302.334 1.317 0 40 DDAB Cc1ccc(C[C@@H](C)NC(=O)CN2CSCC2=O)c(C)c1 71888926 WGTWFSSRJOHHCV-CYBMUJFWSA-N 306.431 1.884 0 40 DDAB C[C@H](CCNC(=O)NC[C@@H]1CN(C)CCN1C)c1ccccc1 71897729 WLHVVZNTBDULSK-NVXWUHKLSA-N 318.465 1.725 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2cccnc2)CC1 71892774 ODPJLNORLHPDOK-GOSISDBHSA-N 323.396 1.730 0 40 DDAB COCc1nc(C(=O)N2CCN(c3nccs3)CC2)cs1 71830977 DJDQDLJGPJEBLA-UHFFFAOYSA-N 324.431 1.708 0 40 DDAB O=C(c1cn[nH]n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 71819821 VZJOMVUUISYJRU-LBPRGKRZSA-N 300.318 1.553 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)/C=C/c1cccnc1 71896498 BMTDCPWVKJXCDL-BOLDSZDNSA-N 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COC(=O)Cn1ncc2c(NCc3sccc3C)ncnc21 96408656 LTJVAWVBCXEGSE-UHFFFAOYSA-N 317.374 1.981 0 40 DDAB Cn1ccnc1CN1CCC2(CC1)CN(CC1CC1)C(=O)CO2 96201385 OYSORVSSNKAFPJ-UHFFFAOYSA-N 318.421 1.024 0 40 DDAB CO[C@@H](CNC(=O)c1cccn(C)c1=O)c1cccc(F)c1 96387991 SOVABVSTLHAEJP-AWEZNQCLSA-N 304.321 1.642 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)C2CCOCC2)N1c1ccsc1 96055739 YVKOJTFOZMEXST-UONOGXRCSA-N 320.414 1.881 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3c(C)noc3C)C2)C1 96062304 VQBNOEZESWHJHL-KRWDZBQOSA-N 323.437 1.462 0 40 DDAB CN1CCN(C[C@H](NC2CCOCC2)c2ccccc2)CC1 95421742 LCVGMOKUMSZDJT-SFHVURJKSA-N 303.450 1.744 0 40 DDAB CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2Cc1ccc2c(c1)OCO2 96184487 SXKHOBLNSYQIMH-OLZOCXBDSA-N 324.402 1.024 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1ccncc1 96201013 MXCMWUDYLATVPK-SJORKVTESA-N 317.433 1.582 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 247996224 MMWUJASQDJHVAZ-CQSZACIVSA-N 302.378 1.948 0 40 DDAB CO[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)C[C@@]12CCCO2 257326998 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321.402 1.454 0 40 DDAB COc1ccc(N2C[C@H](NC(=O)NC(C)(C)C)CC2=O)cc1 4479562 CDWZVEXUESYKOO-LLVKDONJSA-N 305.378 1.898 0 40 DDAB Cc1cnn(-c2cc(N3CCN(C(=O)C4CC4)CC3)ncn2)c1 1888859349 QTBJYLDFCQYLOY-UHFFFAOYSA-N 312.377 1.029 0 40 DDAB CCc1cnc(N2CCN(c3ncnc4c3ncn4C)CC2)nc1 1888885518 WFUZXXHIAOSGAA-UHFFFAOYSA-N 324.392 1.042 0 40 DDAB Cc1nnc(N2CCN(c3ccc(N(C)C)nn3)CC2)s1 1888899158 NLTYPCUQCPTVCI-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB Cc1cn2nc(N3CCN(c4ncc(F)cn4)CC3)ccc2n1 1889136185 USUAKONGRNEUIH-UHFFFAOYSA-N 313.340 1.293 0 40 DDAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC(Cn2cncn2)C1 952993347 RHGHQSNATRVKAK-UHFFFAOYSA-N 324.306 1.998 0 40 DDAB CC1(C)NC(=O)N(CCN(Cc2ccccc2)C2CC2)C1=O 26918481 NZZKYGISXJPZPM-UHFFFAOYSA-N 301.390 1.981 0 40 DDAB CCN=c1ccnc(N2CCN(CC3(O)CCCCC3)CC2)[nH]1 2087128246 NWQUAAJOWKGCOU-UHFFFAOYSA-N 319.453 1.148 0 40 DDAB Cc1c(C(=O)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1C 4062514 OESOCGAYDAMIQE-LBPRGKRZSA-N 300.358 1.965 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055715775 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23110427 FDVUUCOIKMKDCO-AWEZNQCLSA-N 319.430 1.700 0 40 DDAB O=C(NCCN1CCCCCC1=O)Nc1nnc(C2CC2)s1 47498258 MXOLRVJINCZKBS-UHFFFAOYSA-N 323.422 1.940 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 23680590 XHYOBCGPIRTYEL-XJKSGUPXSA-N 320.414 1.765 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)C1 25168626 ZUWRYWYSKRXRTJ-PWSUYJOCSA-N 323.349 1.112 0 40 DDAB CCOC(=O)c1c(SC)nn2c(=O)cc(C(F)(F)F)[nH]c12 103584514 UPWRSAHSSPBLTB-UHFFFAOYSA-N 321.280 1.940 0 40 DDAB Cc1cc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 97113958 WWRGYZVUHSXTQV-LLVKDONJSA-N 316.810 1.635 0 40 DDAB CN1C[C@H](C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1=O 108129931 ZRJHADASVYHNIM-FVQBIDKESA-N 316.401 1.749 0 40 DDAB Cc1cc(Br)oc1C(=O)N[C@H]1CCS(=O)(=O)C1 44366995 DECNAWMFMSNQCS-ZETCQYMHSA-N 322.180 1.267 0 40 DDAB O=C1CN(C(=O)CN2CCC[C@H]2CC2CCCCC2)CCN1 57871856 XXHGWDUFSGYUPE-HNNXBMFYSA-N 307.438 1.380 0 40 DDAB Cc1cnc(NC(=O)Cn2ncc(=O)c3ccccc32)s1 44872344 YMGWMMBZVICZFS-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@@H]1CCCO1 44891010 SRCLOOAQMLGHDP-STQMWFEESA-N 306.362 1.647 0 40 DDAB COCCCNc1c(Nc2ccc3c(c2)OCCO3)c(=O)c1=O 101668119 LSMKSWZPDYFKKQ-UHFFFAOYSA-N 318.329 1.246 0 40 DDAB CC[C@](C)(NC(=O)c1ccccc1OCCOC)C(=O)OC 58281662 CJJJKCTYLBOFSO-INIZCTEOSA-N 309.362 1.783 0 40 DDAB Cc1ncsc1C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 44939874 TVNMJYMJFHMRQR-ZDUSSCGKSA-N 310.467 1.453 0 40 DDAB CNC(=O)CCS(=O)(=O)Cc1nc(-c2cccc(C)c2)no1 44938840 WPEXFGDYSKJWTF-UHFFFAOYSA-N 323.374 1.096 0 40 DDAB O=C(CN1CCC[C@H]1c1ccsc1)N[C@@H]1CCCCNC1=O 44937847 DIIHDYGMWANUCU-KGLIPLIRSA-N 321.446 1.670 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)c2ccc(C)s2)CC1 36396994 MPALEVDIYQATHE-UHFFFAOYSA-N 316.448 1.600 0 40 DDAB O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CCS(=O)(=O)C1 36764428 UFUUHYFGHJKYGV-OAHLLOKOSA-N 307.415 1.411 0 40 DDAB Cc1ccc(SCCNC(=O)CN2CCC(CO)CC2)cc1 46091496 QVFXZDMEFJDKGL-UHFFFAOYSA-N 322.474 1.908 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)Cn3c(C)csc3=O)cc12 48324527 CFYYUFYBJKPNPO-UHFFFAOYSA-N 317.374 1.447 0 40 DDAB CCOC(=O)c1sc(NC(=O)c2cnc(C)cn2)nc1C 13140975 YIQSSVVJORBYGP-UHFFFAOYSA-N 306.347 1.979 0 40 DDAB C[C@H](N)CCNS(=O)(=O)c1sccc1Br 63171348 XUNVZUORMWQXEN-LURJTMIESA-N 313.242 1.526 0 40 DDAB CC(=O)Oc1ccccc1[C@H]1C[C@]2(C)CC(=O)N[C@@H]2N1C(C)=O 4108664 MMQGAWZREWARCC-KBRIMQKVSA-N 316.357 1.758 0 40 DDAB COc1ccccc1NC(=O)COc1ccc(C(N)=O)cc1 6290363 ITMOUDGEWUOLIJ-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)O 5201141 YTXUYVKJFRBYCJ-IZZDOVSWSA-N 323.326 1.873 0 40 DDAB CC(C)Cc1cc(C(=O)NCCN2C(=O)CSC2=O)[nH]n1 65415526 RPLPADLTRJTHEK-UHFFFAOYSA-N 310.379 1.033 0 40 DDAB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)NC(N)=O 9156839 KBCHNZFAXWRXEC-JTQLQIEISA-N 304.375 1.607 0 40 DDAB CCN1C[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)CC1=O 67046580 VTWJNNVVJNKBLW-NWDGAFQWSA-N 307.419 1.718 0 40 DDAB CCCCS(=O)(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1 96000562 WLMBAMGIZBSLTO-LLVKDONJSA-N 317.411 1.696 0 40 DDAB Cc1cc(N2CCN(c3cncc(Cl)n3)CC2)nc(C)n1 67370186 RXJDEDHSRNLKRG-UHFFFAOYSA-N 304.785 1.863 0 40 DDAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N1CCNC1=O 7853464 BBCYEXWSRRZWPG-LURJTMIESA-N 313.408 1.145 0 40 DDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCc1cccnc1 9423525 NVRATMWVBPZKHI-UHFFFAOYSA-N 317.740 1.130 0 40 DDAB NC(=O)c1ccc(=O)n(Cc2c(Cl)ccc3cccnc23)n1 69484563 UNSDRERVLOOBDO-UHFFFAOYSA-N 314.732 1.592 0 40 DDAB CC(C)COC[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccco1 69519892 UFUOURODEYLYLD-ZDUSSCGKSA-N 321.377 1.718 0 40 DDAB COCCN1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 69627694 CVYWGOJEEVPHEE-ZDUSSCGKSA-N 316.405 1.248 0 40 DDAB CCN1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12 69809380 VQUANSIYYFXONN-GFCCVEGCSA-N 314.389 1.527 0 40 DDAB O=C(CN1CCCNC1=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 96414490 IXWRQZYWZVOGFQ-JKSUJKDBSA-N 315.417 1.929 0 40 DDAB COCCN1CC[C@@H](NC(=O)NCc2nc(C)c(C)s2)C1 96440584 CGJXGIIDHGGUKS-GFCCVEGCSA-N 312.439 1.280 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(C[C@H](C)O)CC1 71871099 ISIYMEMSZCQIBW-LBPRGKRZSA-N 301.390 1.615 0 40 DDAB C[C@H]1C[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)CN1C1CC1 97034044 BOCJQDLNPGIMHA-SWLSCSKDSA-N 316.449 1.884 0 40 DDAB Cc1ccccc1CC(=O)N[C@H](CC(N)=O)C1CCOCC1 72310503 LYZIHSGAODYSHS-OAHLLOKOSA-N 304.390 1.324 0 40 DDAB CC1CCN(C[C@H](O)CNC(=O)Cc2cccc(O)c2)CC1 72286651 HCRVUHFIGHYACR-MRXNPFEDSA-N 306.406 1.144 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCC([C@@H](O)C(F)(F)F)CC1 95967095 XIIPNNURHIRLDR-WDEREUQCSA-N 310.316 1.510 0 40 DDAB O=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCc2[nH]ncc2C1 95975260 CWLGQDFTCCRMDL-NSHDSACASA-N 324.348 1.064 0 40 DDAB Cc1csc(NC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)n1 95943940 APZJAPGPAQEHEM-ZDUSSCGKSA-N 315.395 1.666 0 40 DDAB Cc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(=O)[nH]1 75118828 GXFXJFJVHIHZML-UHFFFAOYSA-N 314.341 1.727 0 40 DDAB C[C@H](CNC(=O)c1ccc(F)c(F)c1)CN1CCN(C)CC1 75122173 HZNJDVLLAJFJKR-GFCCVEGCSA-N 311.376 1.578 0 40 DDAB CC(C)COc1cncc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 89920446 VGLQGTHYIHZWPD-ZIAGYGMSSA-N 318.421 1.816 0 40 DDAB CCc1nnc(N2CCC(Cc3nncn3C)CC2)nc1CC 1548522838 JYXYIEHSXFBRDE-UHFFFAOYSA-N 315.425 1.584 0 40 DDAB Cn1c(CC(F)(F)F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 514860709 RYXMFTLMKXSSJD-VHSXEESVSA-N 304.316 1.783 0 40 DDAB O=C(CCCn1cnnn1)NCCCc1nc2ccccc2[nH]1 524735471 DOKXWSVNMXVGAR-UHFFFAOYSA-N 313.365 1.079 0 40 DDAB NC[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218036708 ZIAHXLVQMCPXBT-PMPSAXMXSA-N 302.399 1.283 0 40 DDAB C[C@@H]1CCc2noc(C3CCN(C(=O)c4cn[nH]n4)CC3)c2C1 72392459 NPUXFZFUAIVRFV-SNVBAGLBSA-N 315.377 1.937 0 40 DDAB Cc1nn(C)c2c(=O)n(C)c(Nc3ccc4c(c3)OCO4)nc12 32651402 GDTYDECFYHPWEB-UHFFFAOYSA-N 313.317 1.448 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 72238035 SGHHLWGUZWCROH-XOKHGSTOSA-N 316.401 1.843 0 40 DDAB CO[C@H]1C[C@@H](NS(=O)(=O)c2cccc3c2OCC3)C12CCC2 561457910 VIYUMGHPZIYWRX-KGLIPLIRSA-N 323.414 1.857 0 40 DDAB COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 71788931 OOYFXPCYPUANLG-UHFFFAOYSA-N 321.377 1.925 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1ccc(NC(C)=O)cc1 225633664 FHHHTIDVYWARAS-UONOGXRCSA-N 320.345 1.048 0 40 DDAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C 75157549 AHQQIYLFFYYZFK-CYBMUJFWSA-N 321.439 1.917 0 40 DDAB Cc1nsc(C)c1C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 570676816 AXRTZWSJNMOMAS-QWRGUYRKSA-N 314.432 1.552 0 40 DDAB CC1(C)CCN(C(=O)Cc2ccsc2)CCS1(=O)=O 192863513 CBGPJEAUKMZPKC-UHFFFAOYSA-N 301.433 1.716 0 40 DDAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3nccs3)C[C@H]21 514289613 MEXGKZKFCQECAF-OCCSQVGLSA-N 315.398 1.861 0 40 DDAB biogenic,in-vitro O=C(NCCn1c(=O)oc2ccccc21)NC[C@H]1CC[C@H](O)C1 195578288 HJGNOQCEQXBMOW-RYUDHWBXSA-N 319.361 1.055 0 40 DDAB Cn1cnc(CCNC(=O)N2CCOC[C@H](C3CCC3)C2)c1 333599960 MJIIJQHPZCWXHD-CQSZACIVSA-N 306.410 1.421 0 40 DDAB C[C@H](CN1CCN2C(=O)C(=O)NC[C@H]2C1)c1cccc(Cl)c1 230310532 CMVIANPZDWKALS-RISCZKNCSA-N 321.808 1.086 0 40 DDAB CNS(=O)(=O)CCCSc1nccn1-c1ccccc1 96404769 CEILBNVHJCTEOW-UHFFFAOYSA-N 311.432 1.904 0 40 DDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)C(C)(C)C)C1)COC2 96244031 FDHACRWCUMDHQJ-KRWDZBQOSA-N 318.421 1.589 0 40 DDAB CC(=O)Nc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 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O=C(/C=C\c1cccnc1)NCCn1ccc2ccoc2c1=O 245053493 OWSRVGWNJIDFJL-UHFFFAOYSA-N 309.325 1.819 0 40 DDAB CS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CN(C)CCN1C 245289636 DEMTVWLWAIOBOX-MELADBBJSA-N 314.499 1.206 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257237320 HFYPDTUZEUJLJE-GFCCVEGCSA-N 306.391 1.448 0 40 DDAB CCc1nccn1-c1ccc(C(=O)NCC2CCOCC2)cn1 257201806 AJCPQWGTPYNKMI-UHFFFAOYSA-N 314.389 1.986 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2cnn(C)c2C)n1 257250718 JNTIEJFBQPLCSB-CQSZACIVSA-N 316.409 1.442 0 40 DDAB CC1(c2nccs2)CCN(C(=O)CN2CCOCC2)CC1 257293518 QPVKLYXPLYLJLN-UHFFFAOYSA-N 309.435 1.355 0 40 DDAB Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2ncnc(N)c2Cl)C1 253430660 FOUVTNJDCZTNHF-ONGXEEELSA-N 322.800 1.396 0 40 DDAB CCCn1ccnc1CN1CCO[C@@H](c2nc(C)cn2C)C1 257239236 HONPQHKWQFTCKL-CQSZACIVSA-N 303.410 1.909 0 40 DDAB CCc1cc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)no1 257255726 KIQMBGQZOXNALP-KBPBESRZSA-N 304.350 1.272 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)COc1cccc(F)c1 257245076 INZYJNAZDTXWIE-AWEZNQCLSA-N 319.336 1.836 0 40 DDAB CCc1cc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)n[nH]1 262902831 DAWQXYJSOHPWIW-CQSZACIVSA-N 315.329 1.463 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CCC(=O)O)c2ccccc12 261680362 LSZZUCBTRXGANU-UHFFFAOYSA-N 323.370 1.944 0 40 DDAB O=C(NC[C@@H]1CN(C2CCC2)Cc2ccnn21)N1CCCC1 585111720 GSBMBJREWUMLHG-OAHLLOKOSA-N 303.410 1.598 0 40 DDAB CO[C@H]1CN(C(=O)c2cccc3cccnc23)C[C@@H]1CC(N)=O 585279114 TYUMEGXWFIBTJQ-JSGCOSHPSA-N 313.357 1.197 0 40 DDAB COCc1nnc2n1CCN(Cc1cccnc1OC)[C@H]2C 585097912 OWXAHYBXFYNWOK-NSHDSACASA-N 303.366 1.405 0 40 DDAB Cc1cccc(C[C@]2(CO)CN(Cc3cc[nH]n3)CCO2)c1 585276822 QWSNDHLMMLSQQR-QGZVFWFLSA-N 301.390 1.524 0 40 DDAB O=C(NCCCN1CCCC1=O)NC[C@H]1Cc2ccccc2O1 48331785 QQCXQBTVIWSICE-CQSZACIVSA-N 317.389 1.302 0 40 DDAB C[C@H](CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCCC1 55540214 BQJXHFLMYKPSQA-CQSZACIVSA-N 313.405 1.729 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nnn[nH]3)C2)c(F)c1 95976999 JJVRRPQXMRSAPZ-SNVBAGLBSA-N 318.356 1.425 0 40 DDAB O=C(NCCn1cccnc1=O)c1ccc2ncsc2c1 828170264 KEFHEKZCGLQWDD-UHFFFAOYSA-N 300.343 1.283 0 40 DDAB CCC(CO)(CO)NC(=O)Nc1cccc(Br)c1 95454852 OTEYWVTZDXWAGC-UHFFFAOYSA-N 317.183 1.704 0 40 DDAB COc1ccc(OC)c(C(=O)CSc2nnc(C)c(O)n2)c1 5009380 SKTWUNCGUQXSTE-UHFFFAOYSA-N 321.358 1.878 0 40 DDAB Cc1c(C)c2ccc(OCC(=O)NCCCO)c(C)c2oc1=O 5322756 MKDHWENRBGDATL-UHFFFAOYSA-N 319.357 1.596 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2nc3ccccc3[nH]2)CCO1 19747070 DSRUSWZOPCGCBF-MRXNPFEDSA-N 302.378 1.242 0 40 DDAB Cc1cnccc1O[C@@H]1CCN(c2nccn3c(C)nnc23)C1 1889138889 CUIAVKCXRYAUHT-CYBMUJFWSA-N 310.361 1.794 0 40 DDAB COC(=O)c1cc(Cl)nc(I)c1N 1857780915 CZSWLUSITWGRBA-UHFFFAOYSA-N 312.494 1.708 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)N2CCCC2)cn1 2056225207 IASUNEQBLPYJMM-DYVFJYSZSA-N 315.373 1.317 0 40 DDAB O=C(c1csnn1)N1C[C@H]2C[C@H]1C[C@H]2OCc1cccnc1 1565553346 VASANIDHOWRBPR-MBNYWOFBSA-N 316.386 1.753 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3csnn3)C[C@@H]2C1 1565553638 AQWANLDHYPLKLR-RTCCRHLQSA-N 308.407 1.161 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cccn(C)c1=O)C2 1565547370 ORASEIGBZGYTRB-WMLDXEAASA-N 320.389 1.043 0 40 DDAB CN(C)S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 4315024 MWDJUUHXJZLTNB-UHFFFAOYSA-N 308.407 1.549 0 40 DDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccco2)cc1 5250918 ILFAQIUKWYPYPS-UHFFFAOYSA-N 301.302 1.493 0 40 DDAB COc1ccccc1CCNC(=O)[C@@H](C)n1nc(C)ccc1=O 44395071 QHOJZOPIVPHLDP-CYBMUJFWSA-N 315.373 1.480 0 40 DDAB Cc1cnc(N2CCC(C(=O)N3CCSCC3)CC2)nc1 2298034790 AYAQRHZXMDBCJY-UHFFFAOYSA-N 306.435 1.577 0 40 DDAB Nc1ncc(Br)cc1S(=O)(=O)N1CCCCC1 20467691 LNLGZHCBWVPLMI-UHFFFAOYSA-N 320.212 1.601 0 40 DDAB CCCCc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 40527866 GKWCERMATUILQX-UHFFFAOYSA-N 324.446 1.698 0 40 DDAB O=C(NCCCCN1CCOCC1)c1cn2ccccc2n1 40541026 ZFLQMLMGPWDBOS-UHFFFAOYSA-N 302.378 1.177 0 40 DDAB NC(=O)c1cc(NCC(=O)NCC(F)(F)F)ccc1Cl 40501265 QMADLMDZKIHQGT-UHFFFAOYSA-N 309.675 1.529 0 40 DDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cn1 20547248 CVMLKMDRPFYRRP-UHFFFAOYSA-N 314.344 1.651 0 40 DDAB O=C(NCc1ccccn1)c1cc(-n2cnnn2)ccc1Cl 20720346 YKRBEEHBWPMYKU-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB CCOc1ccc(OC[C@@H](O)CN(CC)CC(=O)N(C)C)cc1 51768751 MXXCBTLJYJWTEH-AWEZNQCLSA-N 324.421 1.235 0 40 DDAB COc1cccc(N2C(=O)C[C@H](c3c(C)nn(C)c3N)C2=O)c1 101713340 UEHWAGJVPPIFQH-GFCCVEGCSA-N 314.345 1.366 0 40 DDAB CCc1nnsc1C(=O)N(C)CC(=O)Nc1ccccc1 32830933 RMXSNACWNVJJTF-UHFFFAOYSA-N 304.375 1.811 0 40 DDAB Cc1ccc(C(=O)N2CCN(CC[S@@](C)=O)CC2)cc1F 76020375 CFBVYAMMGACERP-NRFANRHFSA-N 312.410 1.270 0 40 DDAB CCCn1nc2c(cc1=O)CN(Cc1cnc(C)s1)CC2 76064614 DJJYMLFDMPZAEE-UHFFFAOYSA-N 304.419 1.977 0 40 DDAB COC(=O)CCCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 32971839 ZYQJRPWPERUFRR-UHFFFAOYSA-N 317.345 1.239 0 40 DDAB CC[C@@H](C)CN(C)C(=O)NCC(=O)N(C)CCc1ccccn1 78645419 RMEILSXYAFXWOO-CQSZACIVSA-N 320.437 1.770 0 40 DDAB CCCN(CCN(C)C)C(=O)Cn1c(=O)cnc2ccccc21 78729349 GLODOQSERCNXDT-UHFFFAOYSA-N 316.405 1.197 0 40 DDAB CN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCS(=O)(=O)C1 78909015 LUCJLJFDXQTXRJ-ZDUSSCGKSA-N 319.382 1.805 0 40 DDAB CC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@@H](C)C1 84248033 LKUVJCILIVGDEE-XJKSGUPXSA-N 300.406 1.989 0 40 DDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O 3010521 KVGCCBQHDNCCEB-QWRGUYRKSA-N 313.398 1.012 0 40 DDAB O=C(NCc1ccccn1)c1coc(=O)c(Br)c1 521908 PPNUKXVAZVXWOO-UHFFFAOYSA-N 309.119 1.727 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 6882184 JENFJKSJIMPAEH-HNNXBMFYSA-N 324.446 1.445 0 40 DDAB Nc1nnnn1NCc1cccc(OCc2ccc(F)cc2)c1 7602466 VJVUBCNNVMEHDP-UHFFFAOYSA-N 314.324 1.717 0 40 DDAB Nc1nccnc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 41946315 NLHCJVJAIYRSEG-NSHDSACASA-N 301.350 1.219 0 40 DDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1 8884161 FUYIDWZZDATGEX-UHFFFAOYSA-N 317.273 1.627 0 40 DDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 22765765 BVVAVFGBKCELBF-SKDRFNHKSA-N 324.352 1.446 0 40 DDAB c1ccc(OCCN2CCN(c3ncnc4[nH]ncc34)CC2)cc1 12547857 GUTFFJLUPRUYNH-UHFFFAOYSA-N 324.388 1.554 0 40 DDAB O=C1[C@@H]2[C@H](C(=O)c3ccc(Br)cc3)[C@H]2[C@@H]2CO[C@@H]1O2 101064438 PGHKUIMAONOIHP-FPFACLPRSA-N 323.142 1.818 0 40 DDAB Cc1cc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)n(C)n1 43433620 JVOIJINHZVMYKI-LBPRGKRZSA-N 310.304 1.862 0 40 DDAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc[nH]n1 48033136 OKGXLPAFMYBUJD-AWEZNQCLSA-N 315.329 1.167 0 40 DDAB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 106918320 FAKAEDKRXZKPBC-UONOGXRCSA-N 313.423 1.022 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)cc1 56696291 XIESJVVNFWTOFS-GFCCVEGCSA-N 310.419 1.538 0 40 DDAB COc1cccc(NC(=O)[C@H](Cc2ccncc2)c2nnn[nH]2)c1 57523537 VKBNYUNQICZIMI-CQSZACIVSA-N 324.344 1.568 0 40 DDAB CCc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)O)C2=O)cc1 100855886 PUJWAGRQEUXYHG-RYUDHWBXSA-N 322.386 1.026 0 40 DDAB CCC(CC)(NS(=O)(=O)c1ccc(OC)cc1)C(N)=O 58151468 XFVSFQBBYXVIHA-UHFFFAOYSA-N 300.380 1.018 0 40 DDAB COCc1ccccc1NC(=O)N[C@@H](C)CN1CCCC1=O 58110072 KOPYLFCLUXRURE-LBPRGKRZSA-N 305.378 1.965 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 44896602 ZCZRGDXSTQNIRT-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB COCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58210363 OHQGRXTYKJDPPV-UHFFFAOYSA-N 312.391 1.047 0 40 DDAB Cc1cc(CN2CCN(C(=O)[C@H](C)n3ccnc3)CC2)on1 44975417 BRJFDBULROOPSJ-ZDUSSCGKSA-N 303.366 1.085 0 40 DDAB COc1ccc([C@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc1F 44936302 XLARYDJEYBSXFS-IUCAKERBSA-N 303.355 1.445 0 40 DDAB COc1ncccc1CNC(=O)N[C@@H]1CCN2CCCC[C@H]12 44968846 ODZLFEOZNVNVRD-ZIAGYGMSSA-N 304.394 1.516 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 44937562 CNURHQFLNISXLY-JKSUJKDBSA-N 322.430 1.794 0 40 DDAB COCCN(Cc1ccco1)S(=O)(=O)N1CCCC[C@H]1C 44914338 BTXZIZDSEQVWPV-CYBMUJFWSA-N 316.423 1.847 0 40 DDAB Cc1cc(NC(=O)NC[C@H](O)COc2cccc(F)c2)n(C)n1 44969949 ZUROMMGJXOFSEK-LBPRGKRZSA-N 322.340 1.429 0 40 DDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc2[nH]ncc12 58391758 SSKVUVVYUVKBGA-VIFPVBQESA-N 312.295 1.929 0 40 DDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cccc(F)c3)N2N1 10152924 XAYZBVLNXBMDSN-LLVKDONJSA-N 317.324 1.080 0 40 DDAB O=C(CCNc1ncccn1)NCCCc1nc2ccccc2[nH]1 45046850 DMHVYZMYGPUSQD-UHFFFAOYSA-N 324.388 1.904 0 40 DDAB Cc1nc(CNCc2c(C)nn(C)c2N2CCOCC2)cs1 58413987 PGDXQLNEXXJUCM-UHFFFAOYSA-N 321.450 1.620 0 40 DDAB COc1c(CNC[C@H](O)COc2cccc(C)c2)c(C)nn1C 58405201 QNKPSTDTYRLZMG-AWEZNQCLSA-N 319.405 1.575 0 40 DDAB Cn1ccs/c1=N\C(=O)c1ccc(Cn2ccccc2=O)o1 23751845 ABLNDAKCICZMHZ-NXVVXOECSA-N 315.354 1.631 0 40 DDAB Cc1ccnc(NC(=O)CCn2cc(Br)cn2)n1 27968861 WYYCGULOVVXLRI-UHFFFAOYSA-N 310.155 1.773 0 40 DDAB CCN(CC)S(=O)(=O)N(CCN(C)C)Cc1ccc(C)o1 59747388 XQBRPNLSWOYVRA-UHFFFAOYSA-N 317.455 1.538 0 40 DDAB CC(=O)Oc1ccccc1[C@H]1C[C@]2(C)CC(=O)N[C@H]2N1C(C)=O 4108667 MMQGAWZREWARCC-XOKHGSTOSA-N 316.357 1.758 0 40 DDAB CCCCCC[C@@H](C)NC(=O)CSc1nc(N)nc(N)n1 19026608 LEKTVJLGVLBFGT-SECBINFHSA-N 312.443 1.603 0 40 DDAB O=C(O)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1 39947461 PULZBSDJPIMYKA-UHFFFAOYSA-N 310.356 1.188 0 40 DDAB in-vitro COCc1ccccc1CNC(=O)N[C@H](C)c1nncn1C 65399442 DNWLATYJPNHPKX-LLVKDONJSA-N 303.366 1.522 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)C1CCCCC1 6376760 HEXZWUDEWFDDQU-UHFFFAOYSA-N 310.375 1.909 0 40 DDAB O=C(NCCNc1ncccn1)c1cnc(-c2ccccc2)nc1 65403026 URNZGCHASSDFPF-UHFFFAOYSA-N 320.356 1.776 0 40 DDAB COc1cc(CNC(=O)[C@@H]2CC=CCC2)ccc1OCC(N)=O 65513900 FOIKUKSIAIRLSJ-CYBMUJFWSA-N 318.373 1.532 0 40 DDAB CCc1cccc(OC[C@@H](O)CN(CCOC)CCOC)c1 6552545 KKYYGSMEKXEFPH-INIZCTEOSA-N 311.422 1.584 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)Cn1c(C)nc2ccccc21 6652121 RXIBLKAAGHBASI-UHFFFAOYSA-N 316.405 1.718 0 40 DDAB COc1ccc(O[C@H](C)C(=O)NCCCN2CCOCC2)cc1 24606149 BFIOGQPIERCZGX-CQSZACIVSA-N 322.405 1.301 0 40 DDAB OC[C@@H](NCc1noc(C2CCOCC2)n1)c1ccccc1 96006400 AGNLJPMSGJEZSH-CQSZACIVSA-N 303.362 1.787 0 40 DDAB CSc1cccc(NC(=O)CSc2nnc(O)[nH]c2=O)c1 71405406 FTQSKAWWTCJKNT-UHFFFAOYSA-N 324.387 1.323 0 40 DDAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 7813528 BJQBHLLPCHXHSN-HNNXBMFYSA-N 318.373 1.159 0 40 DDAB O=C(CN1CSCC1=O)NCc1ccc(OC(F)F)cc1 9450198 HPGFZKYPVNMQIG-UHFFFAOYSA-N 316.329 1.437 0 40 DDAB COc1ccc(C[C@H](C)N(C)C(=O)[C@H]2CC(=O)N(C)C2)cc1 69559749 LUSHVTYVALUTBF-JSGCOSHPSA-N 304.390 1.563 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)Nc1cc(F)ccc1F 71838668 IEQUGFRJOARZMA-UHFFFAOYSA-N 304.256 1.413 0 40 DDAB O[C@H](CN1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 71897340 OFADHTUGHMZCFK-QZTJIDSGSA-N 304.434 1.907 0 40 DDAB COCCN(CCN(C)C)C(=O)c1nccc2ccccc12 71847801 IPVDDHDWGGFNCG-UHFFFAOYSA-N 301.390 1.885 0 40 DDAB Clc1nc2sccn2c1CN[C@@H]1CCc2ncnn2C1 71877269 BLOJZJVBIYTRIQ-MRVPVSSYSA-N 308.798 1.745 0 40 DDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCNC2)n1 72343415 OJQWVGKPYAAAGU-CYBMUJFWSA-N 311.389 1.385 0 40 DDAB CSC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C 97012350 GSMJYROUCUBYNI-UWVGGRQHSA-N 307.419 1.945 0 40 DDAB O[C@]1(C(F)(F)F)CCN(c2ncncc2Br)C1 97016685 IZTINKPAGUSDGZ-MRVPVSSYSA-N 312.089 1.743 0 40 DDAB CCn1ncc2c1CCC[C@H]2N[C@H](C)C(=O)NCCCOC 72299767 CPGCEYKPSVQOPU-TZMCWYRMSA-N 308.426 1.411 0 40 DDAB COc1ccc(OC)c([C@H](O)CNCCn2cc(C)cn2)c1 72253128 UFDNHZLRGDIMJG-OAHLLOKOSA-N 305.378 1.532 0 40 DDAB Cn1c(=O)c(Cn2nc(-c3ccco3)oc2=O)nc2ccccc21 97201470 ZZEOQHWGZRKRCH-UHFFFAOYSA-N 324.296 1.392 0 40 DDAB O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCC[C@@H]1CO 84590781 JYZRBXBCUBLWNX-GFCCVEGCSA-N 301.346 1.194 0 40 DDAB Nc1ccc(Cl)nc1C(=O)OCC(=O)NCc1ccccc1 84539140 GYTOAJRLGJWSIN-UHFFFAOYSA-N 319.748 1.790 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cccc(F)c1 74161781 NJDLXOZCCBYOSA-UHFFFAOYSA-N 314.320 1.709 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CO 95998445 UZNJPMMYXMHBOV-HNNXBMFYSA-N 315.373 1.381 0 40 DDAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccn(C)c(=O)c2)C1 95954923 SFCLQTADJGTGQN-GOEBONIOSA-N 319.449 1.902 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nnc(-c3ccccn3)[nH]2)cn1 95956448 DLEORCZFNYQNNE-WDEREUQCSA-N 309.333 1.342 0 40 DDAB Cn1ccnc1-c1cc(NC(=O)CC2(O)CCCCC2)[nH]n1 89512605 WOLZUTPYIMKWSY-UHFFFAOYSA-N 303.366 1.834 0 40 DDAB COC(=O)c1sccc1NC(=O)CSC[C@H](C)CO 75148457 UNXSMCUFQJQLKQ-MRVPVSSYSA-N 303.405 1.835 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(Cc3c(C)noc3C)CCO2)n1 75132084 NARMVTTXDFWSNJ-AWEZNQCLSA-N 305.382 1.401 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)O)C2)c(C2CC2)n1 1548598696 FRYCGLRKCDMRDH-ZYHUDNBSSA-N 307.325 1.547 0 40 DDAB C[C@@]1(C(=O)N2CCC(O)(Cc3ccncc3)CC2)CCOC1 517238678 LJZCZBOOLGVOHC-MRXNPFEDSA-N 304.390 1.404 0 40 DDAB NC(=O)c1[nH]nc(C(F)(F)F)c1I 72339186 HDKZIALYKBLMPD-UHFFFAOYSA-N 304.997 1.132 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(N)CN)cc1 218048059 FSMVVSJHQLJGST-ZACQAIPSSA-N 316.426 1.591 0 40 DDAB C[C@H](N)C(=O)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 79391333 OTJJLGJZYUAPBM-RYUDHWBXSA-N 311.426 1.582 0 40 DDAB O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 39918083 XZHOALHVBPWGSU-HNNXBMFYSA-N 315.417 1.642 0 40 DDAB CCOC(=O)C(C(=O)OCC)C1CN(C(=O)OC(C)(C)C)C1 36462523 KTCLYNBSLIGGFX-UHFFFAOYSA-N 315.366 1.596 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2nc(C3CC3)cs2)c(=O)[nH]1 31287545 VWYKRKTWHWRMMC-UHFFFAOYSA-N 304.375 1.902 0 40 DDAB Cc1nc(C)c(CC(=O)NCc2cc(F)cc(F)c2)c(=O)[nH]1 31288437 PIZPLDQUFYCKPT-UHFFFAOYSA-N 307.300 1.524 0 40 DDAB CN(Cc1cc(=O)n2ccccc2n1)Cc1nccn1C(F)F 72766346 BJHKOILUHOGOGY-UHFFFAOYSA-N 319.315 1.918 0 40 DDAB O=C(Cn1cc(Cl)cn1)N1CCC[C@H](c2cnccn2)C1 72384896 JWDLTFUXYNHGSI-NSHDSACASA-N 305.769 1.733 0 40 DDAB O=C(CCn1nc(O)ccc1=O)NC12CC3CC(CC(C3)C1)C2 32674467 DJCXAIAWOIWZCT-UHFFFAOYSA-N 317.389 1.424 0 40 DDAB Cc1ccc(Nc2nccc([C@H]3CCCN3CC(N)=O)n2)nc1 72383079 CBLAKVZRAURHCJ-CYBMUJFWSA-N 312.377 1.546 0 40 DDAB O=C(COc1ccn(-c2ccccc2)n1)NC[C@@H]1CCCO1 226853482 KHTKOLRJHPNEGZ-AWEZNQCLSA-N 301.346 1.546 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(C)no1 44455368 HZVXLKKSKIKVNZ-UHFFFAOYSA-N 301.299 1.004 0 40 DDAB COc1cccc2sc(OC3CN(S(C)(=O)=O)C3)nc12 85556078 CPGDPOMWCAUFRH-UHFFFAOYSA-N 314.388 1.328 0 40 DDAB O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CCC[C@@H](O)C1 195530189 VQZGAMVSWKCHGF-KFWWJZLASA-N 308.422 1.399 0 40 DDAB O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1CCCO1 47579766 UFVQTCZDXORQHE-QGZVFWFLSA-N 317.433 1.913 0 40 DDAB Cn1ccnc1CN1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201812 HEJMDXPKGYRDCO-MAUKXSAKSA-N 310.401 1.526 0 40 DDAB O=C(c1ccno1)N1CCc2ncnc(NC3CCC3)c2CC1 96255768 ADRDXCDFEYOJGA-UHFFFAOYSA-N 313.361 1.670 0 40 DDAB COc1ccccc1N1CCC[C@H](NC(=O)c2cnn(C)c2)C1 96409527 RDZSDZXQMNRGHC-AWEZNQCLSA-N 314.389 1.828 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccncn2)[C@@H]2CN(CC3CC3)C[C@H]12 96109447 YXQOJCBCNRDGBN-IMJJTQAJSA-N 316.405 1.048 0 40 DDAB O=C(NCC[C@@H]1CCCO1)c1c[nH]c(=O)c(Br)c1 96426176 NWVRDOKEEJHSNA-VIFPVBQESA-N 315.167 1.436 0 40 DDAB CCS(=O)(=O)N1Cc2cnn(C)c2[C@@H](COCC2CC2)C1 96060127 HPJCICCMDFKHMF-CYBMUJFWSA-N 313.423 1.096 0 40 DDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 96185604 STQCHTRZSUKDOV-PMPSAXMXSA-N 301.394 1.466 0 40 DDAB Cc1cnc(N2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)nc1 96219398 FJIIOSWJYIBJNF-XJKSGUPXSA-N 312.377 1.425 0 40 DDAB C[C@@H](C(=O)N(C)[C@H](C)Cc1ccc(O)cc1)N1CCN(C)CC1 97374921 FUHDJLYRFKNJKU-CABCVRRESA-N 319.449 1.418 0 40 DDAB CC[C@@](C)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)O 94218581 PQKFGZAHHXRQJT-CQSZACIVSA-N 313.375 1.214 0 40 DDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cocn4)CC3)O2)n1 96109984 QJMDBFQVAFHUBX-LBPRGKRZSA-N 318.333 1.893 0 40 DDAB COc1ccc(C(=O)Cn2cnnc2[S@@](C)=O)cc1Cl 96447757 UMIFCRHBRIOAAE-FQEVSTJZSA-N 313.766 1.560 0 40 DDAB CS(=O)(=O)c1ccccc1[S@@](=O)C[C@@H]1CCCCO1 96452450 VXQBCSAZVHRLOS-BBATYDOGSA-N 302.417 1.767 0 40 DDAB O=C(c1ccnnc1)N1CCN2C[C@H](Oc3ccccc3)C[C@H]2C1 96063796 PVHDCFLQHRAEFN-DOTOQJQBSA-N 324.384 1.454 0 40 DDAB COC(=O)CN(CCc1ccc(Cl)cc1Cl)CC(N)=O 96412977 FRAZZXSLRYGMNH-UHFFFAOYSA-N 319.188 1.496 0 40 DDAB O=C(NC[C@@H]1CCC2(CN(CC3CC3)C2)OC1)c1ccncc1 247527589 ZZUNYRXBXJHWPG-HNNXBMFYSA-N 315.417 1.702 0 40 DDAB Cn1ncc2c(NCCNC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)ncnc21 253369695 GVEJJIDBVMLVSI-SDDRHHMPSA-N 314.393 1.328 0 40 DDAB COCCN1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 257306001 SSMJPHYDWGJJMC-LBPRGKRZSA-N 306.366 1.259 0 40 DDAB CCc1nnsc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257290028 QBFIGTQTPPKJKA-JHJVBQTASA-N 324.450 1.160 0 40 DDAB CCOCC(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 257246400 ITZDMZXVUQSLQP-QGZVFWFLSA-N 324.396 1.257 0 40 DDAB Nc1nc([C@H]2CCCN(C(=O)c3ccco3)C2)cc2ccnn12 257225542 FGRAOJUTNQBXFM-NSHDSACASA-N 311.345 1.924 0 40 DDAB O=C(CCCc1ccccc1)N1CCN(C[C@@H](O)C2CC2)CC1 85436664 MDJWDWJJTWSNHO-GOSISDBHSA-N 316.445 1.924 0 40 DDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)OC(C)C)n(C)n1 585109139 XVLJKIQNXKPGPV-KBPBESRZSA-N 320.393 1.449 0 40 DDAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)S(C)(=O)=O 46197168 FTCAUFPYTBZHKA-NSHDSACASA-N 324.402 1.844 0 40 DDAB CC(C)(NC(=O)COc1cccc(Br)c1)C(N)=O 71821894 KYIPENPCVFVWGZ-UHFFFAOYSA-N 315.167 1.208 0 40 DDAB CCOC[C@H](O)CN1CCC(NC(=O)CC2CCCC2)CC1 78700035 CWPIZKKYXWKVPJ-MRXNPFEDSA-N 312.454 1.545 0 40 DDAB C[C@](NC(=O)[C@@H]1CCCOC1)(C(N)=O)c1cccc(Cl)c1 98008450 RIVHVGVVBZACID-MEBBXXQBSA-N 310.781 1.583 0 40 DDAB CN1OC2(CCN(Cc3cnc4ccccn34)CC2)CC1=O 1549162821 WJDVAHABIDTLOE-UHFFFAOYSA-N 300.362 1.463 0 40 DDAB CCCNC(=O)[C@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 5031075 QWGHGNBHBDTEDT-CQSZACIVSA-N 322.361 1.732 0 40 DDAB COc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1OC 13715714 NHDRYNJPFWYXKW-UHFFFAOYSA-N 314.341 1.984 0 40 DDAB O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1cccnc1)CC2 19339421 OIKIBDBJVZSLSB-UHFFFAOYSA-N 320.356 1.180 0 40 DDAB Oc1ccc(CNCCNCCNCc2ccc(O)cc2)cc1 19366715 QINQYTBMBZNQJH-UHFFFAOYSA-N 315.417 1.567 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2cccnc2)oc1=O 19496239 YHJOQCYYKIYYDF-DGCLKSJQSA-N 316.361 1.593 0 40 DDAB CCC(=O)N1c2ccc([C@H](O)CN3CCOCC3)cc2C[C@H]1C 19499225 IDBPPVFYGJUNHH-CXAGYDPISA-N 318.417 1.740 0 40 DDAB OCCN1CCN(C2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 19939793 ZREXZLAKFOBULG-FGTMMUONSA-N 319.493 1.273 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)nn1 1888843132 JQPNXTRIXDRJGR-CHWSQXEVSA-N 313.361 1.290 0 40 DDAB CN(c1ccccn1)C1CCN(Cc2ccn(C)c(=O)c2)CC1 1888855881 UCYCNLFKVFGUKH-UHFFFAOYSA-N 312.417 1.881 0 40 DDAB O=C(NCCS(=O)(=O)NCc1ccco1)c1ccccc1 4940920 PCHLOQKZVDQKRX-UHFFFAOYSA-N 308.359 1.129 0 40 DDAB CCN(CC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7458425 YSCLYVCJYNDRNH-UHFFFAOYSA-N 319.336 1.862 0 40 DDAB NC(=O)CSc1nnc(NC(=O)Nc2ccccc2)s1 9744097 RWFDWOGRBFVSAC-UHFFFAOYSA-N 309.376 1.760 0 40 DDAB CCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713462 SLDSQVSPYRVTQF-GFCCVEGCSA-N 304.394 1.208 0 40 DDAB O=c1c(=O)n(C2CCCCC2)ccn1Cc1nc(C2CC2)no1 1775968318 YLCADJAKJHVOHL-UHFFFAOYSA-N 316.361 1.824 0 40 DDAB COc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1C 44159206 KUKDZKMJIJYYAN-UHFFFAOYSA-N 323.418 1.795 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)Cc1cccnc1)C2 618257566 XWYIROIDUFOYBP-CQSZACIVSA-N 311.389 1.154 0 40 DDAB CN(C)c1ccnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 2298171376 QTIKDNBTVGKHIR-GFCCVEGCSA-N 305.426 1.674 0 40 DDAB COCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 11691612 AZXCDLAMTZVTHC-UHFFFAOYSA-N 320.370 1.720 0 40 DDAB Cc1cc(CN(C)C(=O)[C@H]2CCCN(c3cnccn3)C2)no1 31115204 IMXVBBQPPBLHKQ-ZDUSSCGKSA-N 315.377 1.648 0 40 DDAB NC(=O)CC1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 40542614 ZVIMEIZKOJNTIT-CQSZACIVSA-N 322.792 1.758 0 40 DDAB COc1ccc(-c2ccc(CCC(=O)NS(C)(=O)=O)o2)cc1 40543877 QZTBXYUSQOLFDJ-UHFFFAOYSA-N 323.370 1.964 0 40 DDAB O=C(Cc1cccs1)N[C@H]1CCCN(c2ncccn2)C1 40553678 KNNRGKWNXZHPFE-LBPRGKRZSA-N 302.403 1.866 0 40 DDAB Cn1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1=O 51908912 ZPURDBHNXMNXOM-HNNXBMFYSA-N 303.406 1.124 0 40 DDAB Cc1ccccc1N1C(=O)C(Cl)=C(N2CCOCC2)C1=O 76952 RTGNKFFZGGLVEI-UHFFFAOYSA-N 306.749 1.651 0 40 DDAB CN1N=C(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)CCC1=O 46626436 UBTRUJHTZBVEQB-AWEZNQCLSA-N 317.364 1.967 0 40 DDAB CCc1cnc(CN(C)[C@@H]2CCN(CCc3cnn(C)c3)C2)o1 78891994 PYYDWISNUALIRT-OAHLLOKOSA-N 317.437 1.719 0 40 DDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(C)C)C2=O)cc1 3461120 SLPJOZALLHYONJ-MRXNPFEDSA-N 303.362 1.287 0 40 DDAB O=C(NCCCn1cncn1)[C@@H]1Cc2cc(Cl)ccc2O1 41862785 SZYBYPRIQJMHRA-ZDUSSCGKSA-N 306.753 1.442 0 40 DDAB CO[C@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1 97147416 WGOCHFYCCPCMOJ-GJZGRUSLSA-N 316.332 1.856 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)C1CCN(CC(F)(F)F)CC1 54002812 IOZNNNLXMCOIOG-LLVKDONJSA-N 321.343 1.046 0 40 DDAB COCCn1nc(C(=O)N[C@H](C)c2ccc(C)o2)ccc1=O 23306360 WVSXOWUOBSEOLI-LLVKDONJSA-N 305.334 1.282 0 40 DDAB Cc1nc(CC(=O)N2CCN(C(=O)c3ccoc3)CC2)cs1 25233154 WJTSGNJUTIKCQV-UHFFFAOYSA-N 319.386 1.572 0 40 DDAB Cc1cccc2nc(C(=O)N3CCN(c4cnccn4)CC3)cn12 25342779 QSUFRTWKMULTFA-UHFFFAOYSA-N 322.372 1.395 0 40 DDAB COc1ccc(-c2nnc(SCCS(C)(=O)=O)o2)cc1 47824194 VWSVHDXEGQAAND-UHFFFAOYSA-N 314.388 1.882 0 40 DDAB O=C(OCC(=O)N1CCCCC1)c1cc2ccccc2oc1=O 3248476 TZGHMWJOSXRAGI-UHFFFAOYSA-N 315.325 1.962 0 40 DDAB Cc1ccccc1N1CCN(c2nccn3c(=O)[nH]nc23)CC1 57352323 ZDCJLVXLPMCOMA-UHFFFAOYSA-N 310.361 1.053 0 40 DDAB CN1CCN(C(=O)c2ccn(C)c(=O)c2)[C@H](c2ccccc2)C1 44605249 SMNVMCDESUDJSB-INIZCTEOSA-N 311.385 1.514 0 40 DDAB C[C@@H](NC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1 27338634 DFITXYXLKKXCDQ-CYBMUJFWSA-N 300.362 1.975 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 100634859 ZJQBIUMLOWXJOQ-AYMQEEERSA-N 305.374 1.664 0 40 DDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCCC2)c1 44893129 CGMKYVNYMRJRID-UHFFFAOYSA-N 310.419 1.919 0 40 DDAB CCN(CC(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1 58289368 FZUUKHAPPITVIB-UHFFFAOYSA-N 313.405 1.709 0 40 DDAB CCONC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O 58298132 HAJWMTCOUJNELZ-UHFFFAOYSA-N 302.334 1.141 0 40 DDAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)nc1)S(C)(=O)=O 44951646 GRDNBWFTOBBQEW-LLVKDONJSA-N 311.407 1.444 0 40 DDAB COC[C@@H](C)NC(=O)c1nnn(-c2cccc(OC)c2)c1C 44918087 WPDHHIBDHOHSOT-SNVBAGLBSA-N 304.350 1.349 0 40 DDAB O=S(=O)(N1CCCCC1)N1CCN(Cc2ccco2)CC1 44906928 PMKOSCJGRYNTBK-UHFFFAOYSA-N 313.423 1.128 0 40 DDAB COc1ccccc1CNS(=O)(=O)c1ncn(C)c1Cl 27938823 GIMMTYCZNZFAIR-UHFFFAOYSA-N 315.782 1.561 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 48316080 TURIGSMWATUVFG-LLVKDONJSA-N 316.361 1.625 0 40 DDAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCNC(=O)C1 12883996 YYYQUQWKVZNSST-OAHLLOKOSA-N 320.433 1.464 0 40 DDAB CN(C)C(=O)COc1ccccc1C(=O)Nc1nncs1 21216353 PHMSCCKEXIVVRX-UHFFFAOYSA-N 306.347 1.257 0 40 DDAB S=C(NC[C@@H]1CCCO1)N1CCn2c1nc1ccccc12 5109678 PJLGNYNBSAGEOD-NSHDSACASA-N 302.403 1.910 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C)CC3)c12 27984974 ABMGRPVRUNXMMX-UHFFFAOYSA-N 313.405 1.542 0 40 DDAB CCCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC)C2)no1 65414193 IZEBAFIFKHWWBK-SNVBAGLBSA-N 308.382 1.242 0 40 DDAB CCCCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 65440947 YJCQFSJHJBMUFG-UHFFFAOYSA-N 301.268 1.914 0 40 DDAB COc1cc(CCC(=O)NC[C@H]2CCCN2C)cc(OC)c1 65534376 OPQGEDZYAVSODW-CQSZACIVSA-N 306.406 1.847 0 40 DDAB CCC(CC)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 65565242 JSNAPAVSVIFGTE-UHFFFAOYSA-N 314.389 1.954 0 40 DDAB CCn1nnc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21 14265711 BEJRSZSLAXZVPE-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB CN(C)CCNc1nc2sc3c(c2c2ncnn12)CCC3 5533758 KMGHYWMHQXLIGN-UHFFFAOYSA-N 302.407 1.801 0 40 DDAB c1ccc(-c2nnn(Cn3nnc(-c4ccccc4)n3)n2)cc1 6885742 WLCDLEXEOWKHRB-UHFFFAOYSA-N 304.317 1.499 0 40 DDAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccnc1 6980219 YVYPQQAZAPQSBU-LBPRGKRZSA-N 323.352 1.945 0 40 DDAB COC[C@H](C)NC(=O)CSc1nnc2[nH]c3ccccc3n12 6908464 MFTUYXZVCCNMQP-VIFPVBQESA-N 319.390 1.454 0 40 DDAB O=C1c2ccccc2C(=O)N1CCC1=Nn2cnnc2SC1 19772698 UNFRLEYDSNWMIH-UHFFFAOYSA-N 313.342 1.274 0 40 DDAB O=C1Nc2ccccc2C12CCC(NC[C@]1(O)CCOC1)CC2 90849022 QTBCBDJRHBUGOF-LKGZKJKYSA-N 316.401 1.560 0 40 DDAB COc1ccc(Cl)cc1CN(C)[C@H]1CCS(=O)(=O)C1 69150609 KELYRVRIBMYYSA-LBPRGKRZSA-N 303.811 1.968 0 40 DDAB C[C@H](C(=O)N(C)C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 69595465 VVBCOOYFADWNNW-GFCCVEGCSA-N 321.402 1.264 0 40 DDAB COC(=O)c1ccc(N2CCN(c3ccccc3O)CC2)nn1 69534068 NJZDQMUJNOIJEC-UHFFFAOYSA-N 314.345 1.295 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H]1Cc3cc(Cl)ccc3O1)C2 69652129 YZGMYSPWOFUZBL-CYBMUJFWSA-N 318.764 1.586 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)NCCN(C)C(C)C)cnc12 69627153 JOIANKWIXYZXAS-UHFFFAOYSA-N 316.405 1.161 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnc(C2CC2)o1 69819850 RPTWNBCRNJOXIE-KBPBESRZSA-N 304.394 1.922 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 69849475 HSQZESYRIPLTQV-OAHLLOKOSA-N 302.422 1.811 0 40 DDAB CC(=O)Nc1ccc(CCNC(=O)NC[C@H]2CCOC2)cc1 71803175 LQCQQDTYPLTOGI-CQSZACIVSA-N 305.378 1.523 0 40 DDAB c1cnn(C2CN(CCCOc3ccc4c(c3)OCO4)C2)c1 71879006 JHIZEFNDWQHONN-UHFFFAOYSA-N 301.346 1.938 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 71819881 JUZFGCKDLHEAGP-LLVKDONJSA-N 303.387 1.545 0 40 DDAB CC(C)(C)n1ncc(C(=O)NCCCC(N)=O)c1C(F)(F)F 71821511 MQOYIAZZHQLVHU-UHFFFAOYSA-N 320.315 1.652 0 40 DDAB CC(=O)NC1(C(=O)NNc2nc(C)cc(C)n2)CCCCC1 95367733 QEBDRMIXTGRVSK-UHFFFAOYSA-N 305.382 1.376 0 40 DDAB CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1F)C(N)=O 71908335 BCXPWJVBFTWWRB-CABZTGNLSA-N 302.371 1.145 0 40 DDAB Nc1nccnc1C(=O)N1CCN(c2ccncc2Cl)CC1 95438385 QGURVMPGKDOACC-UHFFFAOYSA-N 318.768 1.070 0 40 DDAB CN(C)S(=O)(=O)Nc1cccc(COCC(F)(F)F)c1 95401773 BCSPGKSTMOGDNE-UHFFFAOYSA-N 312.313 1.984 0 40 DDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN2CCC[C@@H]2C1 72277742 MHXVTWKWNVDIME-SNVBAGLBSA-N 318.801 1.948 0 40 DDAB COCC(=O)N[C@H](C(=O)NC1CC(c2ccccc2)C1)C(C)C 95400517 PPPOMCFGGNUWBP-DQPZFDDXSA-N 318.417 1.836 0 40 DDAB O=C(c1cscn1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95432788 XTINIKROTBJOIB-GWCFXTLKSA-N 305.403 1.759 0 40 DDAB OC[C@H]1CCCN1C[C@H]1CCCN1Cc1noc(C2CC2)n1 85857454 WMPDGDGQVAJNIS-ZIAGYGMSSA-N 306.410 1.368 0 40 DDAB CC(C)Nc1ncccc1C(=O)OCc1nnnn1C1CC1 75093269 DETJYMDPCDBQEN-UHFFFAOYSA-N 302.338 1.580 0 40 DDAB Cc1c(CCNC(=O)NCc2cccc(N(C)C)n2)cnn1C 89544714 FFFXXBYYEHUUCW-UHFFFAOYSA-N 316.409 1.231 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3cc(C)no3)CC2)nn1 75129213 UMINPJKLVDJZGO-UHFFFAOYSA-N 301.350 1.798 0 40 DDAB CN1C[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)CCC1=O 75143132 ZOQZWDSDOOKOJO-SNVBAGLBSA-N 309.435 1.720 0 40 DDAB COC[C@](C)(CC(=O)OC)NC(=O)Nc1cccc(OC)c1 75107207 OCGVYHFLEJGLLY-HNNXBMFYSA-N 310.350 1.785 0 40 DDAB C[C@@H](O)C[C@H](CNC(=O)N1CCC[C@@H]1CO)c1ccccc1 89894839 HMMAOSYOWRFTAC-FVQBIDKESA-N 306.406 1.707 0 40 DDAB CCc1nc(C)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1 75606358 ZOWQTNJJHFPVEA-STQMWFEESA-N 323.462 1.685 0 40 DDAB COCCNC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 28575604 XMSWDKVFOKKQMZ-UHFFFAOYSA-N 311.773 1.232 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](NCCCN(C)C)C(=O)O)c1 54114170 QCUSWLXWXOKFIE-CQSZACIVSA-N 307.394 1.318 0 40 DDAB CC(C)S(=O)(=O)NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 408485286 HAHFYPJJZSIWDD-CABZTGNLSA-N 317.432 1.852 0 40 DDAB CCn1nc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1C 38549747 RNCRRFDHODBLRY-UHFFFAOYSA-N 322.390 1.835 0 40 DDAB CS(=O)(=O)NCCNC(=O)C1(c2cccc(Cl)c2)CC1 30655371 DTXGVDUXZKRBGO-UHFFFAOYSA-N 316.810 1.037 0 40 DDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1O 524730131 WUUZAZRMTYLIPG-NSHDSACASA-N 315.325 1.849 0 40 DDAB biogenic COC[C@H](C)NC(=O)N1CCC(CN)(c2ccccc2)CC1 1553470671 JLFGTLLATGIUMS-AWEZNQCLSA-N 305.422 1.723 0 40 DDAB O=C(C[C@H]1CCCO1)N1CCC(O)(Cc2ccncc2)CC1 537719960 INQDHTHHMHWVCZ-OAHLLOKOSA-N 304.390 1.547 0 40 DDAB O=C(NCC(=O)N1CCc2ccccc21)NC[C@H]1CCCO1 33127790 ONFXLRVIQMDEKM-CYBMUJFWSA-N 303.362 1.054 0 40 DDAB COC(=O)[C@H]1CCCN1Cc1nnc(Cc2ccccc2)o1 79311363 CKSNIUNCENPGGL-CYBMUJFWSA-N 301.346 1.798 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 36633910 GUZZHPJBRLPBOH-CQSZACIVSA-N 305.353 1.095 0 40 DDAB Cc1cccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2C)c1 32508760 MAHYFZWANIYXQS-OLZOCXBDSA-N 310.444 1.695 0 40 DDAB N[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 72228219 VPAYLQXRQXFVFV-HOTGVXAUSA-N 314.316 1.965 0 40 DDAB CC(C)(C)[C@H](N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 81134508 OWSKVSKPBZBSBT-MRVPVSSYSA-N 305.304 1.013 0 40 DDAB COc1ccc([C@H]2[C@H](CNC(=O)C(C)(C)O)CCCN2C)cc1 225432916 SPPYYRYQOZAFND-HOCLYGCPSA-N 320.433 1.965 0 40 DDAB Cc1ccc(N2Cc3nc(N4CCN(C)CC4)ncc3C2=O)cc1 46087091 LHFUGUABMBNYAZ-UHFFFAOYSA-N 323.400 1.697 0 40 DDAB O=[S@@](Cc1ccon1)c1nnc(NCC(F)(F)F)s1 83080110 NJCHVOACGGCRKI-LJQANCHMSA-N 312.298 1.808 0 40 DDAB Cc1nn(C)c2cn([C@H](C)C(=O)N[C@H](C)c3ccncc3)nc12 41123808 CEDHMMIHCZFFOY-ZYHUDNBSSA-N 312.377 1.912 0 40 DDAB COc1ccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)cc1 49404515 ZFUCBAMAHRQNSJ-UHFFFAOYSA-N 313.357 1.769 0 40 DDAB CN(C)c1cccc([C@@H]2CCCN2C(=O)[C@H]2COCCO2)c1 96410195 NBAIZHADLNDJGQ-JKSUJKDBSA-N 304.390 1.832 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccoc1)C2 96087563 VVJMPEUNZPJUDL-UHFFFAOYSA-N 302.378 1.972 0 40 DDAB COc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)cc1 96200170 SCIRIHXLAPNEKC-DLBZAZTESA-N 301.390 1.607 0 40 DDAB O=C(c1ccnnc1)N1CCN(CC2CC2)c2ncccc2C1 96198921 JGYZNFFPHSJMAA-UHFFFAOYSA-N 309.373 1.744 0 40 DDAB Cc1cnc(N2CC3(CCN(C(=O)c4cccnc4)C3)C2)nc1 96202736 XDUDRGMCXSHFTO-UHFFFAOYSA-N 309.373 1.533 0 40 DDAB NC(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 96160061 YGFDNMZBNGHVHF-XJKSGUPXSA-N 305.378 1.548 0 40 DDAB O=C(c1cccnc1)N1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 96158170 JOSOOLHZKSVOAV-SJLPKXTDSA-N 315.417 1.799 0 40 DDAB CO[C@@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1ccncc1 96200297 OSAATMLDWVXYLR-DLBZAZTESA-N 311.385 1.878 0 40 DDAB CN1C(=O)C2(CCN(S(C)(=O)=O)CC2)c2cccc(F)c21 96261768 SIDNXWNDAPEOOF-UHFFFAOYSA-N 312.366 1.095 0 40 DDAB Cc1cccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)C2)n1 96071021 BJGNZYVNYHYWIW-HNNXBMFYSA-N 309.435 1.390 0 40 DDAB CN(C)C(=O)COCC[C@@H]1CN(C2CCCC2)Cc2ccnn21 247953112 CIEJCYYVZVJJSU-MRXNPFEDSA-N 320.437 1.677 0 40 DDAB Cc1nc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(-c2ccccc2)o1 529767514 KTYGWHNDKZPYLR-UONOGXRCSA-N 316.357 1.920 0 40 DDAB Cc1ncoc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257290496 QDEJXFYKTXXPFU-ZDUSSCGKSA-N 316.361 1.434 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257271618 MZBPVOYZLHAPOF-AWEZNQCLSA-N 303.387 1.989 0 40 DDAB NC(=O)CN1CCCC[C@H]1c1csc(Nc2cnccn2)n1 257307471 SYSYWCFMROZNKV-NSHDSACASA-N 318.406 1.689 0 40 DDAB Cc1ncc(C(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)cn1 257272740 NDRAYIJPFBCGIG-UHFFFAOYSA-N 324.388 1.682 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3ncccn3)CCO2)n1 257243496 IHGVMBSKDGYMJM-CYBMUJFWSA-N 313.361 1.151 0 40 DDAB CNS(=O)(=O)c1sc(N(C)[C@@H](C)CCN(C)C)nc1C 255187312 CRQJAKPOBRSHGZ-VIFPVBQESA-N 320.484 1.136 0 40 DDAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCOCC2)n1 256045973 CAONEWSRYURWRX-UHFFFAOYSA-N 302.334 1.365 0 40 DDAB NC[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1 257263658 LQXUWCNNBYJVJC-JCNLHEQBSA-N 316.449 1.491 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257271515 MYQCPQLPTZGWRC-ZDUSSCGKSA-N 310.361 1.749 0 40 DDAB Cc1cc(N2CCC(C)(c3ncc(C(N)=O)s3)CC2)ncn1 257283474 OYMODDNYRPRHTD-UHFFFAOYSA-N 317.418 1.899 0 40 DDAB CCOC[C@H](O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 252509171 YEDKQQZWNFFDOF-LLVKDONJSA-N 316.283 1.756 0 40 DDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nccc(C)n2)C1 257248166 JCKDNEZBOUGRMO-NSHDSACASA-N 319.390 1.413 0 40 DDAB CN(C)c1ccc(C[C@H](CO)n2cc(C(=O)O)ccc2=O)cc1 257303771 SIQGFBXZWKGRPC-OAHLLOKOSA-N 316.357 1.389 0 40 DDAB Cc1nccc([C@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)n1 257293929 QRTFVJQAWKXBCV-OAHLLOKOSA-N 312.373 1.769 0 40 DDAB O=C(c1ccc2sccc2c1)N1CCC(O)(C(=O)O)CC1 262081744 KFMOHBDYFGDLEN-UHFFFAOYSA-N 305.355 1.953 0 40 DDAB CCS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575404733 NUCJARVDGJKOKY-CQSZACIVSA-N 321.402 1.496 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCC2)C1 575403162 DUGWMPHJOYGQAJ-DDTOSNHZSA-N 302.378 1.091 0 40 DDAB CN1C[C@@H](CO)CC12CN(C(=O)CCc1ccccc1Cl)C2 585093953 SDAPXGQGERHMNM-ZDUSSCGKSA-N 322.836 1.798 0 40 DDAB Cn1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585283660 COCSTEUQWQXDIM-DAXOMENPSA-N 315.373 1.368 0 40 DDAB O=C1N(CC2CC2)CC[C@@]12CN(Cc1cn[nH]c1)CC(F)(F)C2 585093494 ZRQQZWRAVGENFA-OAHLLOKOSA-N 324.375 1.879 0 40 DDAB CN1CCCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585288672 HELMNCIXRCZMRJ-RCCFBDPRSA-N 304.434 1.985 0 40 DDAB CCCN1CCCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 69662058 IAJMLMXNFAKYPX-UHFFFAOYSA-N 324.446 1.996 0 40 DDAB CCNC1=NC(CN2CCOCC2)=N[C@H]2SC(C)=C(C)[C@@H]12 70503725 AKSLLHLCAPHFJU-ZFWWWQNUSA-N 308.451 1.722 0 40 DDAB Cn1nccc1C(=O)Nc1cc(-c2cccs2)nn1CCO 84303685 RHMIJYBUAIPDCZ-UHFFFAOYSA-N 317.374 1.590 0 40 DDAB O=C(c1ccncc1F)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 826629774 HCHICOAHYBOQGH-QWRGUYRKSA-N 301.325 1.821 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 1548448217 VSGZJOHQSVPQSO-TZMCWYRMSA-N 305.309 1.197 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12444474 NQGVLKQCFYZYAI-UHFFFAOYSA-N 314.345 1.111 0 40 DDAB CN(C)CCNC(=O)c1cc(-c2ccncc2)c2cnccc2n1 19582907 AATIXQCHUGBOAS-UHFFFAOYSA-N 321.384 1.983 0 40 DDAB COC(=O)/C=C1\S[C@@](OC)(N(C)c2ccccc2)N(C)C1=O 5549731 WGNKSFGEFVHWDM-WQTVUKCASA-N 322.386 1.643 0 40 DDAB Cc1nc(C2CC2)nc(N2CCN(c3ncccn3)CC2)c1F 1888853440 AGICFSNYCASQKB-UHFFFAOYSA-N 314.368 1.918 0 40 DDAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](c2ncon2)C1 238873282 NKPJJHJIITUHPQ-ZETCQYMHSA-N 319.795 1.963 0 40 DDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)CCC(F)(F)F 238898110 RFQVJLUDCPUNBJ-VIFPVBQESA-N 314.333 1.175 0 40 DDAB CNC(=O)[C@H]1CCO[C@H]2CCN(Cc3cccc(C)n3)C[C@@H]21 247860929 GFZUVEBDHOYXOP-XHSDSOJGSA-N 303.406 1.363 0 40 DDAB COC(=O)C1CN(C(=O)c2cccnc2O[C@@H]2CCSC2)C1 253395141 BQAMTNYQTGUIAW-LLVKDONJSA-N 322.386 1.211 0 40 DDAB CCn1c(=O)c2c(nc(Br)n2C(C)C)n(C)c1=O 16839489 ZMMPZDMFWUKLJD-UHFFFAOYSA-N 315.171 1.260 0 40 DDAB CN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713725 CSEPQQZFWYMTEX-GFCCVEGCSA-N 304.394 1.160 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F 27061582 PHGZSFZKKALFPZ-QMMMGPOBSA-N 307.293 1.622 0 40 DDAB COc1ccc2[nH]c(=O)c(C(=O)NC[C@H]3CCCO3)cc2c1 40119515 OOHLVLLNDKEHSQ-GFCCVEGCSA-N 302.330 1.446 0 40 DDAB CC(C)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 40116300 CMOIEYPEEZDPDB-CQSZACIVSA-N 323.437 1.199 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 40475639 PQMSQXBWNDFYOD-UHFFFAOYSA-N 312.373 1.567 0 40 DDAB CNC(=O)Cc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 40527000 LFFCMCQCRAGLNP-VXGBXAGGSA-N 305.378 1.616 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1Cl 20553182 RFGMCCQIYJNWOJ-UHFFFAOYSA-N 306.705 1.839 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccn(C)c(=O)c1 51877260 INGFPHXKZWSACW-MRXNPFEDSA-N 311.385 1.058 0 40 DDAB COc1ncccc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 32270512 ZJFDCEGIFISMRX-ZDUSSCGKSA-N 307.394 1.177 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 32272683 CRAJFLFLZDMXGY-UHFFFAOYSA-N 312.373 1.771 0 40 DDAB O=C(CNC(=O)c1c[nH]nc1-c1ccccc1)Nc1cccnc1 101679934 MFVDUQMZFKVYBI-UHFFFAOYSA-N 321.340 1.840 0 40 DDAB C[C@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 21323642 KPYYUDAESJZIMF-BETUJISGSA-N 312.435 1.546 0 40 DDAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(N)=O 32747975 DAZIMGGPMNRHPJ-UHFFFAOYSA-N 305.422 1.928 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)CN1CCO[C@@H](C)C1 52361701 YMCWEZWLRVERRN-NSHDSACASA-N 312.797 1.686 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1cccnc1 32819921 ZAPSODRDTUJEGN-MRXNPFEDSA-N 309.369 1.453 0 40 DDAB O=C(Nc1ncccn1)c1ccccc1C(=O)Nc1ncccn1 36984 QCSZPAZLXZBEPU-UHFFFAOYSA-N 320.312 1.771 0 40 DDAB NC(=O)C1(CNc2ncnc3cc(F)c(F)cc23)CCOCC1 76063021 ULYCODXQWOECFJ-UHFFFAOYSA-N 322.315 1.602 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 32916642 FJLBQRVHQSTZGR-SNVBAGLBSA-N 315.370 1.371 0 40 DDAB COCC[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)O 52784891 GNZDETSNUWUXAM-PWSUYJOCSA-N 313.737 1.249 0 40 DDAB COC(=O)[C@H]1c2ccccc2CC(=O)N1NC(=O)c1ccccc1 1568809 PIHMBPPUZNOXCU-MRXNPFEDSA-N 324.336 1.630 0 40 DDAB O=C(O)C[C@@H](c1ccco1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 103000465 YIBHBFPEZQVAFY-ZGAQPHEGSA-N 303.314 1.827 0 40 DDAB CC(C)C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 6159510 JQPTZTSFASQWTG-UHFFFAOYSA-N 320.462 1.907 0 40 DDAB COc1ccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1OC 59497695 SOCKUYMEAXWBIG-SNVBAGLBSA-N 307.350 1.433 0 40 DDAB Cc1ccc2c(c1)S[C@H](C(=O)NCCCn1cncn1)C2 41862971 UVSXFMQYINQAPP-AWEZNQCLSA-N 302.403 1.810 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cncn1 41862876 QIHOSMBSZUYMLA-BXUZGUMPSA-N 302.334 1.013 0 40 DDAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCC3CCC3)cc2)C1 53479112 AHOOPUDOQZTVFB-OAHLLOKOSA-N 315.417 1.918 0 40 DDAB O=S(=O)(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCCO2 100230512 NCFXABHOVANLIS-WZRBSPASSA-N 309.387 1.925 0 40 DDAB Cc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 786676 KQSKWNAVGAHNHC-UHFFFAOYSA-N 310.419 1.774 0 40 DDAB Cc1nc(NC2CCN(C(=O)C3CC3)CC2)c2cnn(C)c2n1 54056676 APAWPCDOPWLLDD-UHFFFAOYSA-N 314.393 1.485 0 40 DDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccnn1C 23193606 GFYSHWVCVVALLQ-CYBMUJFWSA-N 320.418 1.552 0 40 DDAB CCOc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 9067008 GDHCSQQNPXAQRJ-UHFFFAOYSA-N 305.378 1.221 0 40 DDAB COCCCn1cnnc1S[C@H](C(N)=O)c1ccccc1 25320695 ATUQLGLGTJRWJC-LBPRGKRZSA-N 306.391 1.633 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O 34936910 RUTVKXJQNPCTNU-SNVBAGLBSA-N 323.823 1.825 0 40 DDAB CCS(=O)(=O)CC(=O)Nc1ccc(N(C)C(=O)OC)cc1 56450786 MRRLLLALBFDKSE-UHFFFAOYSA-N 314.363 1.262 0 40 DDAB COCCN1CC2(CCC1=O)CCN(Cc1c[nH]c(C)n1)CC2 108535430 FRMYUBGFFXYDOD-UHFFFAOYSA-N 320.437 1.569 0 40 DDAB COCCNC(=S)N/N=c1/c(=O)c2cccc3cccc1c32 3237916 BNJJGSBYALOKPD-NBVRZTHBSA-N 313.382 1.155 0 40 DDAB CCOC(=O)C(=CNc1ccc(C(=O)O)cc1)C(=O)OCC 1807583 CBYVMAFOHIRVGY-UHFFFAOYSA-N 307.302 1.807 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@H](C)Cn1ccnc1 48232293 JRXIAWURHCFUCZ-GFCCVEGCSA-N 303.366 1.565 0 40 DDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107263482 CEJKBRCMRAOEKJ-HRCADAONSA-N 303.406 1.443 0 40 DDAB O=C(NC[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCC1 44892410 CKTPPBJAZBLEAP-UONOGXRCSA-N 307.394 1.895 0 40 DDAB CCC(C)(C)NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58225236 IKJOVPJDSITALE-UHFFFAOYSA-N 323.422 1.344 0 40 DDAB CC(=O)N[C@@H](C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 25408954 QIALDJUBGDOJAK-ZETCQYMHSA-N 321.358 1.531 0 40 DDAB Cc1c([C@H](C)NC(=O)NCc2ccnc(N(C)C)c2)cnn1C 44954662 BMFUSJMXJZDJLO-NSHDSACASA-N 316.409 1.750 0 40 DDAB CNC(=O)NC(=O)CN1CCC(Cc2ccc(OC)cc2)CC1 58315337 NGLFVMDHYXLLQL-UHFFFAOYSA-N 319.405 1.405 0 40 DDAB O=C(NCCNc1ncccn1)NC[C@@H](O)c1ccc(F)cc1 48313760 NCQLGMQOYSIQJC-CYBMUJFWSA-N 319.340 1.060 0 40 DDAB CCC[C@@H](NCC(=O)N1CCSc2ccccc21)C(=O)O 36839815 IOUOMYYMBBRTNJ-LLVKDONJSA-N 308.403 1.968 0 40 DDAB Cc1csc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)n1 45979267 UFVIKBHOYGRXAF-UHFFFAOYSA-N 315.358 1.340 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCN1CCN(CC(=O)N(C)C)CC1 46055949 GCNLHHMHUFVTIM-HOTGVXAUSA-N 311.470 1.288 0 40 DDAB COCc1cccc(CNC(=O)N[C@@H](C)c2nncn2C)c1 46157577 NWKIYZUYIWKXQB-NSHDSACASA-N 303.366 1.522 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 3461152 ZHXQRFINXDIPEA-KRWDZBQOSA-N 317.389 1.678 0 40 DDAB COC(=O)CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 12901520 KRLSHUIRBYJFHY-ZDUSSCGKSA-N 302.330 1.329 0 40 DDAB biogenic COCc1cc(CC2(NCc3ccccc3OC)COC2)no1 67897976 FCAOWNBESUROQS-UHFFFAOYSA-N 318.373 1.931 0 40 DDAB biogenic,in-vitro O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cc(=O)n2ccsc2n1 13114434 BCIONILMJTYNSE-QWRGUYRKSA-N 315.354 1.207 0 40 DDAB COCCN1Cc2cc(Br)ccc2OCC1=O 65184454 WCFLNSYLLCMIEY-UHFFFAOYSA-N 300.152 1.817 0 40 DDAB CC(C)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 49970590 JKGRBDVWNSWSLR-UHFFFAOYSA-N 300.410 1.436 0 40 DDAB COCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 4435564 PYRHOSPAXQMWFV-HNNXBMFYSA-N 314.341 1.035 0 40 DDAB Cc1nc(C2(NCC(=O)N3CCO[C@H](C)C3)CCCCC2)no1 65542470 NEGFZECYKGWXBM-GFCCVEGCSA-N 322.409 1.374 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccco1 14182254 JWLKHKZDCBXYGE-SNVBAGLBSA-N 305.334 1.321 0 40 DDAB CCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 4691202 CQFXXQTVTQPBSJ-UHFFFAOYSA-N 318.826 1.941 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(-n2cnnc2)c1 6668584 KJOQVIMYIMNZRI-UHFFFAOYSA-N 323.312 1.686 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1OC 6608829 MWDTYFRCFYBNPV-LBPRGKRZSA-N 323.345 1.156 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](C(=O)O)C1 19775056 ZQPOYKJRBDAWIC-GXTWGEPZSA-N 302.374 1.761 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 15323381 AZEJTFOFIZYGBU-UHFFFAOYSA-N 305.355 1.952 0 40 DDAB O=C(c1ccccc1-c1ncn[nH]1)N1CCC[C@]2(CCNC2)C1 67587850 WVBXGIKAUUMLEE-QGZVFWFLSA-N 311.389 1.687 0 40 DDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 80599521 KRVKRNPCWPLNLZ-UKRRQHHQSA-N 324.446 1.721 0 40 DDAB O=C(NCCN1CCOCC1)N1CC[C@H](Cc2ccccc2)C1 80563067 SOZITEYTKHSMRK-QGZVFWFLSA-N 317.433 1.593 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1 16732799 UVVZJDDONZWJGV-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB O=C(Cc1cccc(O)c1)N1CCN(C(=O)C2CCCC2)CC1 69453460 BNWAXYRLYRBEGB-UHFFFAOYSA-N 316.401 1.796 0 40 DDAB COCC[C@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 69538262 XUSHMFUCFQYIST-VHSXEESVSA-N 307.350 1.953 0 40 DDAB CCCCS[C@@H](C)C(=O)N1CCN(C(=O)NCC)CC1 69703395 GGSCGRFJNQKRIO-LBPRGKRZSA-N 301.456 1.782 0 40 DDAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1Cn1cccn1 69740669 ISRQWOBVDNBKPQ-CYBMUJFWSA-N 313.357 1.959 0 40 DDAB O=S1(=O)N[C@H](Cc2ccc(O)cc2)[C@@H](O)c2ccccc21 9575354 NOXJQVLKFXEKCM-HIFRSBDPSA-N 305.355 1.329 0 40 DDAB Cc1occc1C(=O)N1CCCN(Cc2nccn2C)CC1 71863821 APLIPYQYKRSMBO-UHFFFAOYSA-N 302.378 1.670 0 40 DDAB Cc1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)on1 71826724 PAEBHKLEHBJHTG-NSHDSACASA-N 305.309 1.196 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2cncn2)no1 71875145 CPUXIRXEWWBDID-NWDGAFQWSA-N 304.354 1.066 0 40 DDAB O=C1CNC(=O)N1CC(=O)N1CCC[C@@H]1CCc1ccccc1 71821575 BBUJRZSAVCGJGG-CQSZACIVSA-N 315.373 1.162 0 40 DDAB COc1ccnc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)c1 72286454 MUODZAUNOAVMED-NSHDSACASA-N 302.334 1.801 0 40 DDAB CO[C@H](C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269248 VUSHRFXOQRWRPA-ULQDDVLXSA-N 318.417 1.432 0 40 DDAB CCn1nnc2cc(C(=O)NC3(C(=O)O)CCCCC3)ccc21 72277013 NTYNEJCRUSWTSN-UHFFFAOYSA-N 316.361 1.969 0 40 DDAB Cc1csc(CCNc2ncnc3c2cnn3CCO)n1 97200395 KWYAZLSWJUCDTE-UHFFFAOYSA-N 304.379 1.238 0 40 DDAB COc1cccc(-c2ccc(=O)n(CN3CCSCC3)n2)c1 72402961 GXSGITOGFYJJOD-UHFFFAOYSA-N 317.414 1.925 0 40 DDAB CNS(=O)(=O)CC(=O)N(Cc1sccc1C)C(C)C 95409334 ZOKWZARNQHIDCH-UHFFFAOYSA-N 304.437 1.343 0 40 DDAB Cc1cc(O)c([C@@H](CC(=O)O)c2ccnn2C(C)C)c(=O)[nH]1 95479263 MDOUIPMLZXCGKN-JTQLQIEISA-N 305.334 1.773 0 40 DDAB C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2ccsc2)n[nH]1 95406023 MIOISZUDOZBAJS-QMMMGPOBSA-N 313.404 1.757 0 40 DDAB Cc1cccc(C(=O)NC(C)(C)c2noc(C(N)=O)n2)c1Cl 95974547 FLYWINXCLRKHEF-UHFFFAOYSA-N 322.752 1.795 0 40 DDAB CCCN(CC(=O)c1cc(C)[nH]c1C)[C@H]1CCS(=O)(=O)C1 95992440 KMSOKFCCMMUXFD-ZDUSSCGKSA-N 312.435 1.713 0 40 DDAB COc1ccc(C[C@@H](C)CNC(=O)[C@@H]2CN(C)CCO2)cc1 89298562 VGMHEWGTGHSKHE-CJNGLKHVSA-N 306.406 1.321 0 40 DDAB Nc1nccnc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9957402 IFIRAKJIYAXGFN-UHFFFAOYSA-N 322.332 1.300 0 40 DDAB O=C(CCN1CCCC[C@@H]1Cn1cncn1)N1CCCCC1 75131962 CHNNHAWRYWCKIL-OAHLLOKOSA-N 305.426 1.535 0 40 DDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1nccn1CC(F)(F)F 89884678 UPVMVZQRIQLQDE-UWVGGRQHSA-N 313.279 1.897 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc2ccccc2[nH]1 89942221 ZYYVUYFXMQOTHO-TVYUQYBPSA-N 315.377 1.448 0 40 DDAB O=C(c1ccnc(OCC(F)F)c1)N1CCOC[C@H]1C1CC1 89976194 ZERZEYNEHAODJB-LBPRGKRZSA-N 312.316 1.977 0 40 DDAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCCCC1 35394506 AJEDDIIIENDJOE-BENRWUELSA-N 303.318 1.228 0 40 DDAB O=C(O)[C@H](CNS(=O)(=O)C1CC1)Cc1ccccc1Cl 547557521 BHFREOJLQZWSDZ-JTQLQIEISA-N 317.794 1.665 0 40 DDAB N[C@H]1CN(C(=O)NCCc2ccc3c[nH]nc3c2)CC12CCC2 1553476092 BJMJXVDSOSVBPE-HNNXBMFYSA-N 313.405 1.628 0 40 DDAB CN=c1[nH]c(N2C[C@@H](C)S(=O)[C@H](C)C2)nc2ccccc12 521784927 CFXUWWKRQGVHQL-GHMZBOCLSA-N 304.419 1.439 0 40 DDAB COC(=O)[C@@H](N[C@@H](C)C(N)=O)c1cccc(Cl)c1Cl 180609598 VWNYBPIIZBASQZ-WKEGUHRASA-N 305.161 1.671 0 40 DDAB CCS(=O)(=O)NCCNC(=O)/C=C(/C)c1ccccc1C 79359898 GMZWLVATADLSMS-QBFSEMIESA-N 310.419 1.454 0 40 DDAB CN1CCC[C@H](c2cccc(C(=O)N3CCCOCC3)n2)C1 72365728 DEFAFDHLWUGELD-AWEZNQCLSA-N 303.406 1.753 0 40 DDAB COc1ccc(N2Cc3nn(CC(C)C)c(=O)n3C2=O)cc1 1547201289 WYWVFANUFOGIEQ-UHFFFAOYSA-N 302.334 1.698 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 78147439 HGXDLNAFZZDNRP-ZOWXZIJZSA-N 322.430 1.855 0 40 DDAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)[nH]c1=O 217674284 GPIUJPFEFJPAAT-UHFFFAOYSA-N 313.357 1.927 0 40 DDAB O=C([C@H]1CCCN1Cc1cn2ccsc2n1)N1CCOCC1 79099775 JMQLYZIFJIYBDN-CYBMUJFWSA-N 320.418 1.219 0 40 DDAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccccc1C 33675248 XKGGUERAKFHWFX-UHFFFAOYSA-N 321.431 1.875 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](C)C2)cc1 35023348 OAZICWNFIBMFIC-ZFWWWQNUSA-N 307.390 1.945 0 40 DDAB COc1ccc(Nc2nc(NCCO)c3nccnc3n2)cc1 32073768 QBOWJZUTRBJRNN-UHFFFAOYSA-N 312.333 1.576 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H]2CCCO2)o1 72239857 FXDYWIOEFCEUQC-TZMCWYRMSA-N 306.362 1.374 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(c3ncccn3)CCN2C)c1 72367678 KYERCKLSXGAYHK-HNNXBMFYSA-N 311.389 1.329 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(C)ccc1C)C(=O)N2 31813924 CATBWFCOJNIPAD-LBPRGKRZSA-N 313.361 1.979 0 40 DDAB CC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)[C@@H]1CCCO1 72324365 QSQGVQAJIVREMJ-DOMZBBRYSA-N 318.373 1.914 0 40 DDAB Cc1nnc(SCc2ccc(N)cc2Br)n1N 73639570 CMPNIJLBQHSWGO-UHFFFAOYSA-N 314.212 1.937 0 40 DDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N[C@@H]1CNCCC1(F)F 568609185 YCJUEKYCLYKUHD-ZDCRXTMVSA-N 303.353 1.096 0 40 DDAB COc1ccc([C@H](CC(=O)O)CC(=O)NC[C@H]2CCCO2)cc1 223100457 JHOPMYVRGIGNHZ-DZGCQCFKSA-N 321.373 1.939 0 40 DDAB CC1=C[C@@]2(Nc3cc(C(C)C)ccc3O2)C(C(N)=O)=C(N)O1 40546242 LPNLGUHPQDWNRU-INIZCTEOSA-N 301.346 1.900 0 40 DDAB C[Si](C)(C)Cn1cc(F)c(=O)n(C[Si](C)(C)C)c1=O 195759181 PTSJSQIRNNSASF-UHFFFAOYSA-N 302.498 1.904 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccc(N2CCCCC2)nc1 44894720 DBZMTFGVQRKHDV-UHFFFAOYSA-N 320.418 1.543 0 40 DDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)C1CC1 85467634 SFXAJUDKFTWJOO-AWEZNQCLSA-N 305.353 1.288 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1CCc1ccccc1 46088003 YDLSQQFIZBMAOY-UHFFFAOYSA-N 324.384 1.512 0 40 DDAB NNc1ncnc2c1cnn2-c1cccc(Br)c1 85398048 SBBIMBPFOLPWNN-UHFFFAOYSA-N 305.139 1.864 0 40 DDAB CC(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1 225205918 FSWIXTYEXZHYHG-UHFFFAOYSA-N 318.424 1.355 0 40 DDAB Cc1nnc(C[C@@H]2CO[C@@H]3CN(C(=O)C4=CCCC4)C[C@H]23)o1 96215610 JYKPKOQBQQLICG-MGPQQGTHSA-N 303.362 1.504 0 40 DDAB CC(C)N1C(=O)C(=O)N(C[C@@H]2CCc3ccccc3C2)C1=O 97376707 JLCQFPHLCYINIK-GFCCVEGCSA-N 300.358 1.991 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(-n2cccn2)ccn1 96449516 GYWQMCNLDVQVPN-SJORKVTESA-N 320.352 1.655 0 40 DDAB c1cc(CN2CCC[C@]3(COCCN(CC4CC4)C3)C2)n[nH]1 96076324 WKDLXFJEUNPKNW-KRWDZBQOSA-N 304.438 1.734 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)c1cccnc1)CC2 96058806 GYFORKXXZYKDCX-UHFFFAOYSA-N 311.389 1.569 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OC)cc1 96186227 INWZVYSWOGXCTD-IAGOWNOFSA-N 318.417 1.907 0 40 DDAB Cn1cc(CN2CC[C@@H]3CN(Cc4ccco4)C[C@@H]3C2)cn1 96054163 FZFYAONGFWKYOG-CVEARBPZSA-N 300.406 1.967 0 40 DDAB O=C1NC2(CCN(C(=O)c3ccc[nH]3)CC2)C[C@H]1c1ccncc1 96199566 BZRVGVZIHHTBMI-AWEZNQCLSA-N 324.384 1.688 0 40 DDAB Cn1cc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)cn1 96222279 ZEGHDRBDLVCDIE-IRXDYDNUSA-N 305.422 1.970 0 40 DDAB Cc1cccn2c(CN3CCC[C@H](NS(C)(=O)=O)C3)cnc12 96489801 GTLFIXNBSWYFPI-ZDUSSCGKSA-N 322.434 1.156 0 40 DDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)cn1 248163795 YXRZDZRBSYRULM-HNNXBMFYSA-N 318.421 1.024 0 40 DDAB Cc1nc(CC(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cs1 257290022 QBEJQAXALTUDMJ-NSHDSACASA-N 318.402 1.896 0 40 DDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)Cn3cccn3)C2)n1 257329026 XIBZGEOULVXYIF-HNNXBMFYSA-N 313.405 1.714 0 40 DDAB COc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1 257257304 KOYWXARDGXBWJY-CQSZACIVSA-N 323.374 1.181 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C=O)CC[C@]314 253503930 AZHWHXLRFIFKTO-HXHAXSGFSA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro CO[C@H]1CCN(C(=O)Cn2nc(C)cc2C)C[C@@]12CCCO2 257271712 MZLWOGWCNCTQQT-HOCLYGCPSA-N 307.394 1.296 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257288348 PTVXLOBHDBXXES-CQSZACIVSA-N 314.393 1.777 0 40 DDAB COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)CC1=CCCCC1 272669696 JZTIYFFIAJFYKF-KGLIPLIRSA-N 323.389 1.830 0 40 DDAB CCN(CC)CC[C@H](CO)NC(=O)Nc1nc(C)c(C)s1 390835149 DRFFSWITFQEQNN-GFCCVEGCSA-N 314.455 1.974 0 40 DDAB CC(C)C(=O)N1CC2(CC[C@@H](CNC(=O)CC3CC3)CO2)C1 575406578 YNBWLBYRMVULMW-AWEZNQCLSA-N 308.422 1.566 0 40 DDAB Cc1cc(C(=O)N(C)[C@H](CN2CC(O)C2)C(C)C)ccc1F 168060730 GAHPWXLXWUVMIV-MRXNPFEDSA-N 308.397 1.907 0 40 DDAB in-vitro CC(C)COc1ccccc1CNC(=O)N[C@H](C)C(=O)N(C)C 50145245 PWVSUAPMDAHLHI-CYBMUJFWSA-N 321.421 1.997 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N(CCO)Cc1ccccc1 60618734 OUQHCRQXZDIQDH-UHFFFAOYSA-N 323.352 1.558 0 40 DDAB COCCN1CCN(CC[S@@](=O)c2ccccc2)C[C@@H]1C 69969866 OAWSTDKIYXKQKL-BTYIYWSLSA-N 310.463 1.447 0 40 DDAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cccc(Cl)c1 78878710 LGHBDBVRPVFKHA-LLVKDONJSA-N 319.835 1.900 0 40 DDAB O=S1(=O)CCC[C@@H]1CN[C@@H](Cc1ccncc1)C(F)(F)F 90468267 IOHAXZNSFTVSMJ-NEPJUHHUSA-N 322.352 1.722 0 40 DDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC(F)(F)CC1 684519715 HKBOWONRSKJVIQ-UHFFFAOYSA-N 310.348 1.951 0 40 DDAB O=S(=O)(C[C@@H](O)C(Cl)(Cl)Cl)N1CCCCC1 5566884 LPGNARFRVHIJKZ-SSDOTTSWSA-N 310.630 1.533 0 40 DDAB O=C(c1ccccn1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 19399969 BYCJTZJATOAEEY-NSHDSACASA-N 308.345 1.768 0 40 DDAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 169684020 ABVBOYDDLJKDFV-ZWUHOBOKSA-N 319.744 1.454 0 40 DDAB O=C(c1ccc2nsnc2c1)N1CC[C@H](n2ccnn2)C1 206926183 ZFQRKCJEYQEXCP-JTQLQIEISA-N 300.347 1.370 0 40 DDAB Cc1cc(C(=O)NCc2nccn2C)c(C)n1[C@H]1CCOC1 528410818 HVTNRWPPLIDESJ-ZDUSSCGKSA-N 302.378 1.730 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 8395748 BLYCXZVPOBRTET-UHFFFAOYSA-N 310.297 1.229 0 40 DDAB CN(C)C(=O)N1CCC(CNC(=O)c2cc(C3CC3)on2)CC1 390830098 ISACOERZGAMPOD-UHFFFAOYSA-N 320.393 1.675 0 40 DDAB O=C(NC1CCCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 6561623 ARJTXMSOUDMHJI-UHFFFAOYSA-N 323.418 1.323 0 40 DDAB CCc1cnc(N2CCN(c3nccc(OC)n3)CC2)nc1 1888859898 KJKSLTARUFWOAV-UHFFFAOYSA-N 300.366 1.164 0 40 DDAB CSc1ncc(C)c(N2CCN(c3ccncn3)CC2)n1 1150778413 IDHKCZNBBBZABY-UHFFFAOYSA-N 302.407 1.624 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NC[C@@H]1CCOC1 41369707 YUSVZTHQGDFZCT-JTQLQIEISA-N 307.375 1.001 0 40 DDAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@@H](OC)CO2 1614930190 LKZQKKZUWKTAIC-GFCCVEGCSA-N 306.362 1.500 0 40 DDAB CO[C@H]1CO[C@]2(CCCN(C(=O)c3cc(F)ncc3F)C2)C1 1565550487 BSENLFIGRNTWJG-MEBBXXQBSA-N 312.316 1.770 0 40 DDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)C2CC2)C1 2055751274 DHCILWHLGPASML-GOSISDBHSA-N 315.417 1.958 0 40 DDAB CCOc1ccccc1NC(=O)C(=O)NCC1CCN(C)CC1 22999079 UPPIYKIDYNMXKV-UHFFFAOYSA-N 319.405 1.482 0 40 DDAB CC(=O)NCC(=O)N1CCS[C@H](c2ccccc2F)CC1 219118445 BWOYMKAYBNVPNT-AWEZNQCLSA-N 310.394 1.968 0 40 DDAB O=c1cc2c(nn1CC1CCN(c3cnsn3)CC1)CCC2 585502474 SXFQFFRIVZTKSP-UHFFFAOYSA-N 317.418 1.500 0 40 DDAB Cc1nc(CN2CCC(C(=O)N3CCSCC3)CC2)co1 2298187916 DZDXEKDQJVVXFE-UHFFFAOYSA-N 309.435 1.770 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3cc(C#N)ccn3)CC2)n1 73877642 KCFJIOIMKXVJFH-UHFFFAOYSA-N 323.404 1.444 0 40 DDAB O=C1[C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H]2CO[C@@H]1O2 100250685 CLDOBSIZFBVYSI-FMQRCCRSSA-N 302.370 1.958 0 40 DDAB biogenic,in-vitro Cn1cccc1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 40456757 FUIRGYIDFMYBIO-ZDUSSCGKSA-N 311.341 1.371 0 40 DDAB CCc1noc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)n1 40497191 OHKFYQXLYBAWJD-UHFFFAOYSA-N 318.352 1.729 0 40 DDAB CN1C[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)CC1=O 40514238 OLVMETHAGASZEA-ZDUSSCGKSA-N 321.446 1.261 0 40 DDAB CC(=O)N(C)c1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1 20614751 XHPSCSGXBFRDPS-UHFFFAOYSA-N 316.317 1.353 0 40 DDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 359920 CWAJHOJHGJWMGF-UHFFFAOYSA-N 307.398 1.316 0 40 DDAB Cc1noc([C@H](C)N2CCN(C(=O)c3ccsc3)CC2)n1 52240347 IRYTZWDVPHGHSA-JTQLQIEISA-N 306.391 1.959 0 40 DDAB CC(=O)N[C@H](C(=O)N(C)CCOc1ccc(F)cc1)C(C)C 32788811 SUVMFKRLUTZTAI-HNNXBMFYSA-N 310.369 1.824 0 40 DDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC1=NCCS1 32888290 VUBFRPDJHAOBNU-LLVKDONJSA-N 303.387 1.797 0 40 DDAB O=C1NCCCC[C@@H]1Sc1nnc(N2CCCC2)n1C1CC1 11825600 PUXYTEYJDDYKPJ-LBPRGKRZSA-N 321.450 1.974 0 40 DDAB O=C(Nn1cnnc1)NC1(C(F)(F)F)Oc2ccccc2O1 45396 JEJPAVFURHNQAX-UHFFFAOYSA-N 315.211 1.219 0 40 DDAB Cc1nnc(SCC(=O)N2CCCCC2)n1C[C@@H]1CCCO1 421004 UJWSQPXJRRISCK-ZDUSSCGKSA-N 324.450 1.870 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 76045755 MQLRYTPAWKQPMC-NSHDSACASA-N 319.365 1.576 0 40 DDAB COc1ccc(-c2noc(CCn3c(C)csc3=O)n2)cn1 78774728 JKOKBVNFXIYELK-UHFFFAOYSA-N 318.358 1.915 0 40 DDAB C[C@@H](CNc1ccccc1)NC(=O)N[C@@H](C)c1nncn1C 79104259 OODXZZYDEHHDPM-RYUDHWBXSA-N 302.382 1.676 0 40 DDAB O=S1(=O)CCCN1CCNc1ccc(C(F)(F)F)cn1 60874790 AGGUNZKHLKBSAH-UHFFFAOYSA-N 309.313 1.548 0 40 DDAB CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)cc1 7304599 ZJWJHIZFJDESKZ-UHFFFAOYSA-N 314.407 1.232 0 40 DDAB CCOc1c(Cl)cc(C(=O)N[C@@H](C)C(=O)O)cc1OC 33450324 BTYABEOAMJYVRE-ZETCQYMHSA-N 301.726 1.950 0 40 DDAB CCSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 22418942 NHTWILVWRQECSW-UHFFFAOYSA-N 304.375 1.804 0 40 DDAB O=C(O)C1=C(C(=O)Nc2cccc3cccnc23)[C@@H]2C=C[C@@H]1O2 104088965 LDPXIQVKHSNTEZ-RYUDHWBXSA-N 308.293 1.892 0 40 DDAB COCCn1cc(C(=O)NCCc2ccccc2F)ccc1=O 47206243 KSOUOWWWLRFZAT-UHFFFAOYSA-N 318.348 1.606 0 40 DDAB Cc1ccoc1C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 22691334 YFDOKWQMNSDLCH-UHFFFAOYSA-N 307.394 1.261 0 40 DDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1N 8163911 TYVODIKVCPADKB-JTQLQIEISA-N 321.377 1.747 0 40 DDAB C[C@@H]1C[C@H](OC(=O)C[C@H]2Sc3ccccc3NC2=O)C(=O)O1 8393348 JALVWPNLTWZFFV-UBHAPETDSA-N 321.354 1.737 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)C1CCN(CC(F)(F)F)CC1 54002813 IOZNNNLXMCOIOG-NSHDSACASA-N 321.343 1.046 0 40 DDAB COC(=O)[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 23223816 OXUGFPLFYWTLQY-CQSZACIVSA-N 313.309 1.857 0 40 DDAB CN(Cc1ccsc1)C(=O)CNC(=O)COc1ccccc1 23958002 ZIIAPAHCRKXHJD-UHFFFAOYSA-N 318.398 1.902 0 40 DDAB CC(=O)N1CCc2cc(NC(=O)CN3CCO[C@H](C)C3)ccc21 24097356 KFBGPHMKBBCJFM-GFCCVEGCSA-N 317.389 1.255 0 40 DDAB O=C(Nc1nccs1)NC1CCN(c2ncccn2)CC1 43160076 UPTQBIPMKZWLJM-UHFFFAOYSA-N 304.379 1.724 0 40 DDAB COc1cc(C)c(CN(C)C(=O)C2=NNC(=O)CC2)cc1OC 24839989 UFAWJKCJAJZEII-UHFFFAOYSA-N 319.361 1.237 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc2ccccc12 100171956 MAZNKLATDRBDTB-CYJAXWMASA-N 321.332 1.645 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1cc(-c2ccccc2)on1 106557031 IYLLHZXQOLBSOY-LLVKDONJSA-N 314.345 1.372 0 40 DDAB Cc1n[nH]cc1CNCCCN1C(=O)NC2(CCCC2)C1=O 97159434 HFBRXRLTYCKZCO-UHFFFAOYSA-N 305.382 1.062 0 40 DDAB CC[C@H](C(=O)Nc1ncn(CC(=O)NC)n1)c1ccc(F)cc1 97141668 SBKKIZLZCHQDEW-LBPRGKRZSA-N 319.340 1.296 0 40 DDAB C[C@@H](NC(=O)NCC1(N(C)C)CCCCCC1)c1nncn1C 43780522 WRMMEMNRYWPSAR-CYBMUJFWSA-N 322.457 1.830 0 40 DDAB C[C@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)[C@@H](C)CO1 26667263 WUQGUWDAMIDQIH-QWRGUYRKSA-N 307.325 1.709 0 40 DDAB Cc1nc(CCNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cs1 44327600 QZRGBPYSFXZAKI-GHMZBOCLSA-N 317.480 1.806 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)NCCCOC[C@H]1CCCO1 48275034 HELOZIXGWKVWIV-GFCCVEGCSA-N 318.377 1.692 0 40 DDAB CCN1CCN(C[C@H](O)COc2c(C)ccc(C)c2C)CC1 44866782 OUXLSGPNPCRXAH-KRWDZBQOSA-N 306.450 1.989 0 40 DDAB Cn1c(=O)n(CCC(=O)NCc2ccccn2)c2ccccc21 44894878 KOAVMULFEFHMJU-UHFFFAOYSA-N 310.357 1.442 0 40 DDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccccc1 3321206 SFVBDIJCPMSLQT-UHFFFAOYSA-N 309.325 1.006 0 40 DDAB COc1cc(CNC(=O)N[C@H](C)C(=O)N2CCCCC2)ccn1 58221681 VDBCGDKPSGLYHT-GFCCVEGCSA-N 320.393 1.290 0 40 DDAB CCCn1nc(C(=O)NCCO[C@H]2CCCC[C@H]2C)ccc1=O 44942191 HNMNGRLQPMPEMX-HIFRSBDPSA-N 321.421 1.978 0 40 DDAB CN1C[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1=O 44911734 OGXDPRFYQBLHDP-UONOGXRCSA-N 319.405 1.401 0 40 DDAB CN1CCO[C@H](CNC(=O)CCCOc2cccc(F)c2)C1 58390580 YVEGQYVEGZTEPA-OAHLLOKOSA-N 310.369 1.432 0 40 DDAB CCCCc1noc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)n1 45103807 VBBVJWUVBPDPIJ-HNNXBMFYSA-N 318.333 1.972 0 40 DDAB C[C@]1(NC(=O)CNc2cc(F)cc(F)c2)CCS(=O)(=O)C1 11009675 SDROBAABRSPPCJ-ZDUSSCGKSA-N 318.345 1.070 0 40 DDAB O=C1CN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CCN1 28631011 QNOSCGBOEDYRTG-LBPRGKRZSA-N 320.414 1.530 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 3461156 ZHXQRFINXDIPEA-QGZVFWFLSA-N 317.389 1.678 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459783 AVJWYECOKDMMMV-MRXNPFEDSA-N 303.362 1.368 0 40 DDAB CN(Cc1nc(C2CC2)no1)[C@@H]1CCCN(c2cccnn2)C1 69925746 RHSQUWBLESDJBJ-CYBMUJFWSA-N 314.393 1.838 0 40 DDAB Cc1cc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)on1 69933945 TXSFYHNRFHLVJR-AWEZNQCLSA-N 322.409 1.237 0 40 DDAB CC(=O)c1ccccc1NC(=O)COC(=O)C1=COCCO1 3575941 BXANJCPEKFQLBD-UHFFFAOYSA-N 305.286 1.259 0 40 DDAB Cc1ccc(CN(C)CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 12926673 JHUKCIXSVGSGCB-INIZCTEOSA-N 324.446 1.120 0 40 DDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 13181254 PVQODHJUISESRN-NSHDSACASA-N 302.330 1.796 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 49353187 MOLIVJIEYCORNU-UHFFFAOYSA-N 316.448 1.608 0 40 DDAB NCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20389147 AOUXQOIEZKRYHQ-UHFFFAOYSA-N 308.735 1.835 0 40 DDAB COCCN(C(=O)Cc1nc2ncccn2n1)C1CCCC1 49656561 QEZCVWZCBSRLBT-UHFFFAOYSA-N 303.366 1.084 0 40 DDAB COc1ccc(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1O 65496830 DTTMDLNTFQTJJP-CYBMUJFWSA-N 321.377 1.211 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1 14109095 WKZDNZJBGKQJSO-UHFFFAOYSA-N 322.430 1.785 0 40 DDAB CC(C)(C(N)=O)S(=O)(=O)c1ccc(Br)cc1 65613788 MTGHGOKBTMKUSI-UHFFFAOYSA-N 306.181 1.487 0 40 DDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1 5482934 FQVFFWLTCADUHV-UHFFFAOYSA-N 301.331 1.463 0 40 DDAB CCOC(=O)C1CCN(C(=O)CCc2cnn(C)c2C)CC1 28576528 GKOAKEFXHXCNFU-UHFFFAOYSA-N 307.394 1.463 0 40 DDAB COc1ccc(CNC(=O)CCC(=O)NC[C@H]2CCCO2)cc1 4672869 XUHQNWUURLZSJV-OAHLLOKOSA-N 320.389 1.387 0 40 DDAB CC[C@H](CO)N1CCN(Cc2sc(N(C)C)nc2C)CC1 93740330 WLDSDZSHMIIVBX-CYBMUJFWSA-N 312.483 1.406 0 40 DDAB CCOCCCNC(=O)c1cccc(NS(=O)(=O)CC)c1 29560915 GOYVEHPKKSTIDB-UHFFFAOYSA-N 314.407 1.605 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4814557 NHWVBDPHZSVMIF-BXUZGUMPSA-N 306.337 1.474 0 40 DDAB CC(=O)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306139003 SMTMAEHMQRDRQP-IAGOWNOFSA-N 309.369 1.916 0 40 DDAB CNC(=O)C(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1 80113554 VHPCSXVKHMGENZ-AWEZNQCLSA-N 306.362 1.457 0 40 DDAB Clc1snnc1CN1CCN(Cc2cscn2)CC1 67712538 KZYOEXQNBXRKHV-UHFFFAOYSA-N 315.855 1.966 0 40 DDAB NC(=O)[C@H]1CCCCN1S(=O)(=O)C1=Cc2ccccc2CC1 7987075 CYNCMWAAGXNMAJ-OAHLLOKOSA-N 320.414 1.643 0 40 DDAB COc1cc(C)c(NC(=O)CN2CSCC2=O)cc1OC 8132922 IPWYRFBNFHWCOT-UHFFFAOYSA-N 310.375 1.484 0 40 DDAB CC(C)Cn1ncc2cc(C(=O)NC[C@@H](C)N(C)C)cnc21 69415720 ITDZOMJTWUAPFQ-GFCCVEGCSA-N 303.410 1.767 0 40 DDAB COCCOc1ncccc1C(=O)NC[C@H]1CCN(C2CC2)C1 69570935 ZLAQXXXQCZMAEP-CYBMUJFWSA-N 319.405 1.321 0 40 DDAB CC(C)c1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)n[nH]1 69576096 HPDTXHYAUFXHEL-CYBMUJFWSA-N 308.426 1.716 0 40 DDAB Cc1[nH]ncc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91762118 KSNWMORHKPUIKD-QMTHXVAHSA-N 307.300 1.944 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)OC[C@@H]1CCCO1)C2 69778321 NMALJVRFNWNQJV-OLZOCXBDSA-N 322.409 1.328 0 40 DDAB CCOC(=O)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 70451551 CEAJBKMHFPTRIB-UHFFFAOYSA-N 303.253 1.633 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cn1 71796817 QASDDNLOWPXFSV-RISCZKNCSA-N 302.378 1.095 0 40 DDAB CCN(Cc1ccoc1)c1ncnc2c1cnn2CC(=O)OC 96408662 KJFOLWKUBSXGJR-UHFFFAOYSA-N 315.333 1.619 0 40 DDAB C[C@@H](C(=O)NCc1ccc(CS(N)(=O)=O)cc1)n1cccc1 97230210 GEDYUFIRYNOWNT-LBPRGKRZSA-N 321.402 1.154 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 71881130 HIBPZEAIGDVTOC-ZDUSSCGKSA-N 324.425 1.041 0 40 DDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCSC1 71847165 ZMRLIFPANSJXMT-UHFFFAOYSA-N 305.334 1.518 0 40 DDAB Cc1ccc([C@]2(C)NC(=O)N(Cc3nnc(C)o3)C2=O)cc1 9610177 YZTZFJYAQZJPHR-HNNXBMFYSA-N 300.318 1.654 0 40 DDAB Cc1c(C(=O)O)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 9777190 JFAPQXBIDMLUEH-UHFFFAOYSA-N 321.358 1.087 0 40 DDAB CCCCO[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 72288611 IGDLKGDZHCOBMM-WCQYABFASA-N 311.403 1.836 0 40 DDAB Cc1noc(C)c1[C@@H](C)CNC(=O)NCCN1CCOCC1 95433477 VASFKCYABFDUHI-NSHDSACASA-N 310.398 1.026 0 40 DDAB Cc1cn2c(=O)c(C(=O)OCCn3cccn3)cnc2s1 95463261 YIJRLLOZBLRUAI-UHFFFAOYSA-N 304.331 1.118 0 40 DDAB O=C(NC[C@H](O)c1ccsc1)c1cccnc1-n1cccn1 95417436 OPSMDRQKSGMNKF-ZDUSSCGKSA-N 314.370 1.792 0 40 DDAB COc1ccnc(NNC(=O)[C@H]2C[C@@H]2c2ccccc2F)n1 73545961 ICRMYEXSBXZTEX-MNOVXSKESA-N 302.309 1.871 0 40 DDAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CCCC1)CC2 89395868 FRYDNDOJIWDBJP-UHFFFAOYSA-N 306.387 1.594 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)c1ccc(C)[nH]c1=O 75123907 SFFCSQXKFZNRDR-CYBMUJFWSA-N 302.330 1.155 0 40 DDAB CCCNC(=O)CN(C)C(=O)CN1CCC[C@H]1c1ccncc1 89960181 JZXMQFHDGAUVEI-HNNXBMFYSA-N 318.421 1.203 0 40 DDAB CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(C)C1=O 31643666 HGEBPSCNRRRUKL-UHFFFAOYSA-N 313.357 1.721 0 40 DDAB CCCCNC(=O)c1cccc(S(=O)(=O)NCCOC)c1 30554934 OLTLQXBAUSVQAP-UHFFFAOYSA-N 314.407 1.141 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)c1cccnc1N1CCOCC1 33208870 KDQBTGSLPURWPW-CYBMUJFWSA-N 315.373 1.872 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@H]1C 529973498 AIZGEPPWARDQLK-ZVXAKGHKSA-N 302.378 1.957 0 40 DDAB CCOC(=O)c1c(C)oc2ncn(Cc3noc(C)n3)c(=O)c12 31758523 AZLUUDMXXIGITF-UHFFFAOYSA-N 318.289 1.214 0 40 DDAB O=C(NS(=O)(=O)c1cnccn1)c1cc2c(s1)CCC2 152451442 XCBYQVLYAMMHLB-UHFFFAOYSA-N 309.372 1.146 0 40 DDAB Cc1nn(C)c2c(=O)n(C)c(N3CCc4ccccc4C3)nc12 32651371 JYLKMVUGIHAYEC-UHFFFAOYSA-N 309.373 1.538 0 40 DDAB O=C([C@H]1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCCC1 72368777 XIZWGAXUHMVOKI-ZDUSSCGKSA-N 323.418 1.105 0 40 DDAB Cc1cc(Nc2cccc([C@H]3CCCN3CC(N)=O)n2)no1 72383055 SICJCKVERJZXQX-GFCCVEGCSA-N 301.350 1.744 0 40 DDAB O=C(Nc1cnc(-n2cccn2)nc1)c1ccc2c(c1)OCO2 224243799 FEOBGVFIKPLSCL-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCc1cc(F)ccc1F 193896165 MASNMAWFWNMKHN-RNCFNFMXSA-N 311.332 1.331 0 40 DDAB CN(C)c1noc(CN2CCCc3c(C(=O)O)cccc32)n1 573855334 ARTJLOCYVYWUMB-UHFFFAOYSA-N 302.334 1.787 0 40 DDAB COC(=O)C1(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 193654136 QPIREADSNMUCNM-TZMCWYRMSA-N 304.390 1.747 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4ccoc4)C[C@H]3O2)n1 96220494 NZAXBRRDCUXZHP-RWMBFGLXSA-N 303.318 1.443 0 40 DDAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@H](O)C(F)(F)F 97378047 ZSJXYYDIRWINDU-QWRGUYRKSA-N 316.279 1.463 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4cscn4)CC[C@H]3O2)n1 96043638 WIPPXPHWVWNHEZ-MVWJERBFSA-N 320.374 1.827 0 40 DDAB CCn1ncc2c1[C@H](COC)CN(C(=O)c1cscn1)C2 96044727 UEVXXYPOCVJCSX-NSHDSACASA-N 306.391 1.746 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1c1ncnc2ccc(F)cc12 96455837 UODYMCCDLWIDFU-NSHDSACASA-N 324.381 1.287 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)C4CCOCC4)C[C@H]3O2)n1 96058213 LWXDOHOPPCCOHZ-BFHYXJOUSA-N 321.377 1.483 0 40 DDAB CN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccoc3)C2)C1=O 96073982 ODMRXLKGTFIARM-KRWDZBQOSA-N 319.405 1.182 0 40 DDAB O=C(c1cocn1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247805891 AZVMHLKMYYASHL-LBPRGKRZSA-N 317.370 1.849 0 40 DDAB CC(=O)N1CCC(c2cncc(N3C[C@@H](C)OC3=O)n2)CC1 257287281 PPHANCBIFQFNDT-SNVBAGLBSA-N 304.350 1.548 0 40 DDAB CC(C)N1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257287227 PPBYCSGVRVVTKC-LBPRGKRZSA-N 301.394 1.629 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC2(CC1)OCCC[C@H]2O 257282877 OVQIGOJIVIDVIL-CQSZACIVSA-N 308.378 1.366 0 40 DDAB Cc1cc(N2CCC[C@@H](Nc3ncccc3F)C2=O)n(C)n1 267739429 FMUZTASEFFXIKO-GFCCVEGCSA-N 303.341 1.870 0 40 DDAB Cn1cc(-c2ncccc2CNC(=O)c2cccn(C)c2=O)cn1 575608978 QMYXNYXUNWEKOP-UHFFFAOYSA-N 323.356 1.111 0 40 DDAB O=C(O)c1cnc(Cc2ccc(Br)cc2)[nH]c1=O 50102991 DKKKNVMSHMCXET-UHFFFAOYSA-N 309.119 1.821 0 40 DDAB NC(=O)C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 16385407 GSIIQJVDJUXLGS-QMMMGPOBSA-N 320.132 1.444 0 40 DDAB Cn1c(CCn2c(-c3ncccn3)noc2=O)nc2ccccc21 69771726 HWSNZXYURHRMPR-UHFFFAOYSA-N 322.328 1.423 0 40 DDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCC3CCCC3)[C@H]3CO[C@@H]2O3)n1 952844939 VNSJYZAEHGRXPZ-OVYGPGRDSA-N 321.421 1.305 0 40 DDAB biogenic,in-vitro O=C([C@@H]1CCCN(c2ncc(Cl)cn2)C1)N1CCOCC1 301492939 PVKQMNRGJGGMRN-LLVKDONJSA-N 310.785 1.205 0 40 DDAB O=C1CC[C@H](Nc2nnc(C(F)F)o2)[C@@H]([C@@H]2CCCO2)N1 517212971 DMWZXSQSVPRYCA-ZKWXMUAHSA-N 302.281 1.245 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107059169 IHZGUAYDSNRCSE-WBMJQRKESA-N 320.393 1.444 0 40 DDAB CCCCOC[C@@H]1COCCOCCOCCOCCO1 5420409 ZUWFLWPCLOWQHY-OAHLLOKOSA-N 306.399 1.268 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@H](OCCO)c1cccs1 575622488 ZECQICVKTNWGOJ-ZDUSSCGKSA-N 324.402 1.762 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@H](C)N(c3nc(C)nc4cnccc34)[C@H]2C1 1888842898 BQYNYTMIECXWBB-HICWGWBUSA-N 311.389 1.779 0 40 DDAB Cc1nc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)no1 1889101415 SMAKDVXPHJXMFJ-GFCCVEGCSA-N 310.423 1.165 0 40 DDAB O=C(Nc1nnc2ccccn12)c1cn(Cc2ccccc2)nn1 30691811 JWZXORIUXHZNED-UHFFFAOYSA-N 319.328 1.621 0 40 DDAB Fc1cnccc1CN1CCN(c2ncnc3[nH]cnc23)CC1 2087022444 CYOSHELLEGEGAE-UHFFFAOYSA-N 313.340 1.209 0 40 DDAB O=C(N1C[C@@H]2c3cnc(N4CCCC4)nc3C[C@H]2C1)C1(F)CC1 1565546076 SFFNZDCLBGNQCE-AAEUAGOBSA-N 316.380 1.677 0 40 DDAB COc1ccc(C2(C(=O)NCCCN(C)C)CCOCC2)cc1 2148813 HLXLIGDUBRVVMX-UHFFFAOYSA-N 320.433 1.811 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1ccc(OC)cc1)OCC 4583564 JYDALCJVCSNBHP-UHFFFAOYSA-N 310.350 1.149 0 40 DDAB O=C(Nc1ccncc1)c1nc(N2CCOCC2)ncc1Cl 15083936 IRMXSBKSMKZDGG-UHFFFAOYSA-N 319.752 1.614 0 40 DDAB Cc1ncnc(N2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 1775973310 FVABZZNUXYMYKL-UHFFFAOYSA-N 324.392 1.166 0 40 DDAB O=C([C@H]1CN(c2ccc(F)cn2)CCO1)N1CCSCC1 2298183949 DASAAHUULJANOU-GFCCVEGCSA-N 311.382 1.001 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc23)no1 13578843 PPXOWNPFJIEKOD-ZETCQYMHSA-N 304.335 1.769 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1cccc(O)c1 40284673 HGWGLBKMBYURHX-UHFFFAOYSA-N 316.361 1.040 0 40 DDAB CN(C(=O)c1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 40489045 FZZIRHUUYGVACR-MRVPVSSYSA-N 305.758 1.738 0 40 DDAB CCOc1ccc(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40467442 NACOHZAFVCMXTK-CYBMUJFWSA-N 311.403 1.273 0 40 DDAB O=c1c2ccccc2ncn1C[C@@H](O)COCc1ccccc1 40477393 UHCJGUUQFUUETP-OAHLLOKOSA-N 310.353 1.974 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)NC(=O)CO2 31700314 BXIRXZMDADGYCI-ZETCQYMHSA-N 318.251 1.923 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCN(Cc2cccs2)CC1 20544247 YRRSLJLUZATREX-CYBMUJFWSA-N 309.435 1.754 0 40 DDAB CC1=NNC(=O)[C@@H]1CCNC(=O)[C@H](C)Oc1cccc(C)c1 101128346 AKMKEZKQNIKCNY-GXTWGEPZSA-N 303.362 1.391 0 40 DDAB C[C@H]1C(=O)N(CC(=O)NC(C)(C)C)C(=O)N1c1ccc(F)cc1 20671487 WLMQNHJGFIJNEZ-JTQLQIEISA-N 321.352 1.898 0 40 DDAB O=C(O)c1ccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 214754 KDILGXQBRXISBN-QWHCGFSZSA-N 303.314 1.668 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1C 32415413 KSOGOVLAOQFXRP-UHFFFAOYSA-N 302.371 1.281 0 40 DDAB O=C(Nc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CN1 32643729 SBKQBPANVIMLQD-UHFFFAOYSA-N 312.304 1.714 0 40 DDAB CCOC(=O)c1ccc(NC(=S)NN2CCN(C)CC2)cc1 198325 AUIXSRCNKFUMFR-UHFFFAOYSA-N 322.434 1.312 0 40 DDAB Cc1cccc(C(=O)Nc2nnc(N3CCOCC3)s2)c1 1418539 PJALGYCDJMMXFY-UHFFFAOYSA-N 304.375 1.935 0 40 DDAB COC(=O)[C@@H]1C[C@@H](C(=O)OC)c2nc3cc(C)ccc3nc21 1618398 OCLJDSQPMQWWNY-NXEZZACHSA-N 300.314 1.855 0 40 DDAB Cc1noc(CNC(=O)C(=O)Nc2ccc(F)cc2Cl)n1 77818112 CPZWNRCNACBHRH-UHFFFAOYSA-N 312.688 1.425 0 40 DDAB CN(C)CCCOC(=O)C[C@](C)(O)[C@@H]1CCOC(C)(C)C1 2095083 DOOPQZWBQGMYGP-CJNGLKHVSA-N 301.427 1.828 0 40 DDAB biogenic CC(C)c1noc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900380 BMYJMDFOHRCSNC-SNVBAGLBSA-N 318.381 1.395 0 40 DDAB COc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O 425488 AORIIFVUZSPEID-UHFFFAOYSA-N 324.340 1.117 0 40 DDAB Cc1cccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)c1 4399854 ZJFPNYQAZRMYPG-RRFJBIMHSA-N 301.390 1.723 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 102942515 YEEQXGYOJJDEDW-SNVBAGLBSA-N 304.316 1.322 0 40 DDAB Nc1c2nc3c(nc2cc2[nH]c(=O)[nH]c12)-c1ccccc1C3=O 6536304 GIAZDMAFFSHANF-UHFFFAOYSA-N 303.281 1.593 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162317 MYBPRVKUSGVUFZ-UHFFFAOYSA-N 319.342 1.423 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2cccc3cnccc23)C1 53202867 VCKWXZBHFPKEJF-ZDUSSCGKSA-N 305.403 1.607 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10323982 DDIFSLISVBPHIV-MNOVXSKESA-N 310.419 1.926 0 40 DDAB Cc1cccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)n1 47091655 YVEYDCAPCQUUPN-UHFFFAOYSA-N 314.389 1.953 0 40 DDAB CCc1n[nH]c(=S)n1NCc1ccc2c(c1)n(C)c(=O)n2C 8339322 ACTMLIYDYOQADW-UHFFFAOYSA-N 318.406 1.437 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22774347 VZEWKPUORWDZEB-RDJZCZTQSA-N 317.433 1.810 0 40 DDAB CSc1ncc(C(=O)Nc2nc[nH]n2)n1-c1ccccc1 23141305 WSJHAVGWPGAVTC-UHFFFAOYSA-N 300.347 1.965 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2cnc(C)s2)NC(=O)NC1 47258937 KCCABUPLPBDRTP-UHFFFAOYSA-N 324.406 1.013 0 40 DDAB C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)[C@@H]1CCCO1 23196547 QKEGNJXWLQTWRB-YGRLFVJLSA-N 319.336 1.219 0 40 DDAB C[C@@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 12460396 PQPGQUYGDZTFDH-GFCCVEGCSA-N 315.373 1.338 0 40 DDAB CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)no1 102328705 RCFXHBNMRGDHCO-MMSPYSMKSA-N 306.318 1.565 0 40 DDAB Cc1cccnc1CNC(=O)N1CCN(c2ccccn2)CC1 105287816 QEBRKXUAPBYXIW-UHFFFAOYSA-N 311.389 1.817 0 40 DDAB O=C(NC1CCC(O)CC1)N[C@H]1CCCN(c2ncccn2)C1 42962071 POLPYCCVBAGRCP-MOKVOYLWSA-N 319.409 1.048 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)c2ccccn2)C1 47620924 SOJUSBAUDLNKCT-FRRDWIJNSA-N 310.419 1.748 0 40 DDAB CC1CCC(N(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 25628170 HQSXNFDKFPYWRR-JXMROGBWSA-N 319.405 1.134 0 40 DDAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2cnccn2)CC1 107549950 XTNNCQNOVJEHEJ-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB Cc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)o1 71826902 GQQHEUMJZFYJMR-LBPRGKRZSA-N 304.321 1.801 0 40 DDAB CCCCCNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 26744417 BJEJHCZFNDJNEH-UHFFFAOYSA-N 300.380 1.263 0 40 DDAB NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F 44556965 CQCMYRFLQNRLGR-JTQLQIEISA-N 306.790 1.981 0 40 DDAB CC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1 3218221 QOYYTPYZWSCYJY-UHFFFAOYSA-N 313.313 1.783 0 40 DDAB COc1cccc(CNC(=O)CN[C@H](C)[C@H](C)n2cccn2)c1 69926565 FSHWUDGDOXACON-KGLIPLIRSA-N 316.405 1.747 0 40 DDAB CC(=O)N1CCC(NC(=O)c2oc3c(c2C)C(=O)CCC3)CC1 44966940 FGKPWPYQVDPSHS-UHFFFAOYSA-N 318.373 1.848 0 40 DDAB CN(C)c1ccc(CNC(=O)CCNC(=O)C2CCCC2)cn1 44918722 FDGWKYOORSJUCI-UHFFFAOYSA-N 318.421 1.460 0 40 DDAB Cc1cccc(OCC(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)c1 58391696 IWSJZPMICXRIHO-CYBMUJFWSA-N 302.330 1.620 0 40 DDAB O=C(NCc1ccc(Cn2cncn2)cc1)C1CCOCC1 58428833 PMNWZPFQQSRECX-UHFFFAOYSA-N 300.362 1.369 0 40 DDAB COC(=O)CN1CCC(N[C@H]2CCN(c3ccccc3)C2)CC1 97162189 RDGNSARUJFVBJD-INIZCTEOSA-N 317.433 1.492 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 45205012 SEMLZEXJQIISIF-NEPJUHHUSA-N 309.410 1.792 0 40 DDAB CC(C)CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 10875146 PQXKHBLJCIWBJI-UHFFFAOYSA-N 310.419 1.541 0 40 DDAB Cc1ccccc1CN1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 58966076 YAKLVRDFFFWVMQ-ZDUSSCGKSA-N 318.421 1.132 0 40 DDAB CN1CCN(c2ccc(CNC(=O)NCC3CC3)cn2)CC1 48301381 MULNJDLGPBKRCS-UHFFFAOYSA-N 303.410 1.043 0 40 DDAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 13253519 SKESNPVHHXTKDA-KBPBESRZSA-N 316.357 1.994 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O 22606501 BSRAFEGVBYUTEM-UHFFFAOYSA-N 311.190 1.823 0 40 DDAB CCCCc1noc(CN2CCc3ncnc(OC)c3C2)n1 65466274 MTCXVIGWRMCCKI-UHFFFAOYSA-N 303.366 1.769 0 40 DDAB COc1cc(NC(=O)c2nccnc2N)cc(OC)c1OC 14064590 NJMJIUJLODCJLN-UHFFFAOYSA-N 304.306 1.337 0 40 DDAB CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2cn[nH]c2)CC1 65552430 PDUWHBUFSVPKAB-LLVKDONJSA-N 307.398 1.814 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)c1cc(OC)c2c(c1)OCCO2 65516182 AMHBINYQNPHLJZ-NSHDSACASA-N 321.329 1.244 0 40 DDAB COCCNC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O 5347494 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CCn1ccnc1CN1CCN(Cc2noc(C3CC3)n2)CC1 69386525 NBEJLDHWOXBJRR-UHFFFAOYSA-N 316.409 1.481 0 40 DDAB CN(Cc1ccc(Br)s1)C[C@@H](O)COCCO 83862656 YICKOVMQORYRDB-SECBINFHSA-N 324.240 1.312 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1Cc2ccccc2O1 69415203 YHTYPMQKANSOCX-DOTOQJQBSA-N 318.417 1.559 0 40 DDAB CN(C)CC1CCC(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 83847963 CKISEMKCJROTLD-OGVSOVDVSA-N 321.465 1.482 0 40 DDAB CCn1cc(CNC[C@@H]2CCO[C@@H]2c2cnn(CC)c2)cn1 83843575 SFTPADMLYPDJIL-HOCLYGCPSA-N 303.410 1.987 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCc2c(ncn2C)C1 69538491 HUZHUJSXOJVZCO-CYBMUJFWSA-N 310.401 1.756 0 40 DDAB Cc1cc(NC(=O)[C@H](C)SCc2nnnn2C2CC2)no1 71798142 UAFYSLHJUBKXRD-QMMMGPOBSA-N 308.367 1.565 0 40 DDAB C[C@@H](O)CN1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 69740225 YFDRLAXVOAZEAD-ZIAGYGMSSA-N 316.405 1.796 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCO1 9668484 YUMSDFJDPKMKDU-IUODEOHRSA-N 318.373 1.713 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCC2(O)CCCCCC2)C[C@H](C)O1 87089635 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DDAB CC(=O)N1CC[C@@H](CN(C)C(=O)Cc2ccc(O)cc2C)C1 1548675443 LADTUBWMOUXQJJ-AWEZNQCLSA-N 304.390 1.570 0 40 DDAB CCOC(=O)NCC(=O)NCc1cccc(NC(=O)C2CC2)c1 32818992 OGIHIZIEEBTNAS-UHFFFAOYSA-N 319.361 1.397 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)Nc1cccnc1 32889638 LODPZIKYIMXVRW-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB CNC(=O)CSc1nnc(COc2ccccc2OC)n1C 35311050 YYFOXNGYSMCVBL-UHFFFAOYSA-N 322.390 1.241 0 40 DDAB Cc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 32865764 AANHQGALIGUXTP-HUUCEWRRSA-N 307.415 1.997 0 40 DDAB Cc1cc(N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)nc(N)n1 72388632 AMAHGGCISXIUCN-NSHDSACASA-N 315.381 1.134 0 40 DDAB CCc1cc(CNc2cc([C@H]3CNCCO3)nc(C)n2)on1 72387880 FXVRZLLXVSTKBB-CQSZACIVSA-N 303.366 1.608 0 40 DDAB Cc1ccc(C)c(-c2n[nH]cc2CNC[C@@H]2CCNC[C@H]2O)c1 72156451 QLQDROTVZICWPU-WMLDXEAASA-N 314.433 1.754 0 40 DDAB CCN(CC)CCNC(=O)c1cc(C)nc(N2CCCCC2)n1 72239840 NJYJUZCTFVZHGX-UHFFFAOYSA-N 319.453 1.847 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@H](C1)C(=O)[C@H]1CCCN21 85398546 ASTMRLPYJIVQKR-RWMBFGLXSA-N 323.389 1.315 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ncn1 525132065 LLMZDRGWVJDRRS-SDDRHHMPSA-N 316.361 1.287 0 40 DDAB Cn1nccc1CNc1cccc(C(=O)N2CCC[C@H]2CO)n1 190205943 WOOVNGQHIYRVKR-ZDUSSCGKSA-N 315.377 1.024 0 40 DDAB CCc1cccc(OCC(=O)N[C@@H]2CCc3nnnn3CC2)c1 571275292 SBIGWJSIACFPKW-CYBMUJFWSA-N 315.377 1.136 0 40 DDAB O=C(c1ccco1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96099689 ONWRSDNBXRRHJK-UHFFFAOYSA-N 309.318 1.717 0 40 DDAB COCC(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96048611 JXKYCHVXSDIQGS-QGZVFWFLSA-N 317.389 1.069 0 40 DDAB COCCN1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(C(=O)O)cc12 96530430 WFMLEKWNQXTUDR-NHYWBVRUSA-N 306.318 1.596 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96218769 IRVIHKDYQYJPFA-MLGOLLRUSA-N 314.345 1.257 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(CCOC)C[C@@H]32)C(=O)N1CCOC 96261669 BHWDHVCHFMDCOC-JKIFEVAISA-N 323.437 1.011 0 40 DDAB COc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1-n1cnnn1 97237771 QJKDXTKORITDAD-VXGBXAGGSA-N 315.377 1.932 0 40 DDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(CC1CC1)C2 96060874 PBCYHRRBGBOFSI-CQSZACIVSA-N 307.442 1.185 0 40 DDAB CN1CC[C@@]2(COCCN(S(=O)(=O)c3cccs3)C2)C1 96201927 DYBZXCDCDRDVPK-CYBMUJFWSA-N 316.448 1.091 0 40 DDAB COc1ccc(CC(=O)N2CC3(C[C@@H](OC)CCO3)C2)cc1 247893124 BVOXTWOWOYORNI-HNNXBMFYSA-N 305.374 1.644 0 40 DDAB COc1c2c(c([C@](C)(O)C(F)F)c3c1OCO3)CCN(C)C2 242548290 LIEBBQHXAZOSRT-HNNXBMFYSA-N 315.316 1.884 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2ccncc2)C1 257264027 LSOHMYNVAVMFNG-INIZCTEOSA-N 314.389 1.954 0 40 DDAB COCCNc1cc([C@@H]2CCN2C(=O)c2cc[nH]n2)nc(C)n1 257315406 VBDUSCPADJWZSJ-ZDUSSCGKSA-N 316.365 1.154 0 40 DDAB CCOC(=O)c1[nH]c(=O)n([C@H](CCSC)C(=O)O)c1C 256027985 MXCLAEKSCZAWAX-MRVPVSSYSA-N 302.352 1.040 0 40 DDAB O=C1OC2(CCOCC2)CN1c1cncc([C@H]2CCCN2)n1 257295564 QYWNDJJJYAGYRN-LLVKDONJSA-N 304.350 1.407 0 40 DDAB Cc1cccc(C[C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 257254311 KCNVTIHTLVLFBD-CYBMUJFWSA-N 320.418 1.757 0 40 DDAB COc1ccc(NC(=O)NCCCCN2CCOCC2)cc1 46750378 MXZJMCKWEGMFEV-UHFFFAOYSA-N 307.394 1.929 0 40 DDAB COCCN1CCC(c2cc(N3CCOC3=O)nc(C)n2)CC1 257232530 GLGOPZSYBVWGAO-UHFFFAOYSA-N 320.393 1.567 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1 43700470 SUWSYVBCCCQZPB-JTQLQIEISA-N 303.236 1.631 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 257340813 ZHPXCRVXVPTUAO-HZPDHXFCSA-N 320.437 1.308 0 40 DDAB CN(C)c1nccnc1[C@@H]1CN(c2ccc(F)cn2)CCO1 257212881 CFHQWKYZPZSLDE-LBPRGKRZSA-N 303.341 1.655 0 40 DDAB COc1nccc(NC(=O)N2CCN(c3ccccc3)CC2)n1 276423522 GMGQYHRDTIMVHY-UHFFFAOYSA-N 313.361 1.839 0 40 DDAB CO[C@](C)(CNC(=O)N1CCNC1=O)c1cccc(Cl)c1 96392742 VLMOIBAZKXWCGY-CQSZACIVSA-N 311.769 1.936 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585139905 NUAJVDCSLMYMBW-AVGNSLFASA-N 302.440 1.210 0 40 DDAB CCCCC[C@]1(O)CCN(C(=O)/C=C/c2cnc[nH]2)C[C@@H]1O 585292102 XGVHEVWHRWFQMA-NCVJHSOJSA-N 307.394 1.328 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1 585181403 QFYBZTKKWLDTCA-ZDUSSCGKSA-N 316.409 1.461 0 40 DDAB O[C@]1(COc2cc(F)cc(F)c2)COCCN(C2CCC2)C1 585283730 UCZCJELLRINRLI-INIZCTEOSA-N 313.344 1.959 0 40 DDAB CCN(Cc1ccccc1)C(=O)CNC(=O)NC[C@H]1CCCO1 57179131 MJRIJLYBPSHNGT-OAHLLOKOSA-N 319.405 1.513 0 40 DDAB COC(=O)c1sccc1NC(=O)Cn1c(C)csc1=O 15606779 ZTUHQNXNWWGSTC-UHFFFAOYSA-N 312.372 1.705 0 40 DDAB Cc1csc(N2CCCN(C(=O)[C@@H](C)n3ccnc3)CC2)n1 55760390 AGEUDYWYOXBSMI-CYBMUJFWSA-N 319.434 1.948 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 62132687 VZTNCNARBWTHHB-SECBINFHSA-N 303.767 1.744 0 40 DDAB COCCNC(=O)c1ccc(NCc2c(C)noc2C)nc1 75610901 BHTAPIHHUMOHGT-UHFFFAOYSA-N 304.350 1.675 0 40 DDAB CSc1cccc(NC(=O)C(=O)NCC[C@H](O)C2CC2)c1 77108396 YHYSPGQLTSNNJS-ZDUSSCGKSA-N 308.403 1.624 0 40 DDAB Cc1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 178996154 BNQTYIVZFCZOJA-CQSZACIVSA-N 317.414 1.947 0 40 DDAB CN(C)C(=O)N1CCN(Cc2ccc(Br)o2)CC1 225567515 DEJUHPTVQVZYDE-UHFFFAOYSA-N 316.199 1.841 0 40 DDAB CCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1 3965113 MMOGWZPLKFNWRO-UHFFFAOYSA-N 306.413 1.340 0 40 DDAB CCOc1nc(NCCO)nc(NCCC2=CCCCC2)n1 5027185 PQZUAEJOVNQYGQ-UHFFFAOYSA-N 307.398 1.977 0 40 DDAB O=C(NCCn1ncccc1=O)c1ccccc1C(F)(F)F 11856277 LUCISQMSAFUOOJ-UHFFFAOYSA-N 311.263 1.692 0 40 DDAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)NC2CC2)C1)NC1CC1 16137641 NKUVOOXKLZGQEI-VXGBXAGGSA-N 308.426 1.716 0 40 DDAB C[C@@H]1CCCC[C@@H]1N1C(=O)CN(NC(=O)c2cccnc2)C1=O 19496148 SRMXLJMVSFNUST-YPMHNXCESA-N 316.361 1.569 0 40 DDAB CCn1c(SCC(N)=O)nnc1-c1cccc(NC(C)=O)c1 19929464 GQHWZZRPHMCQEE-UHFFFAOYSA-N 319.390 1.501 0 40 DDAB COc1cnc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]1c1ccnn1C 1888843119 XPFQSSPHPUYAEI-UONOGXRCSA-N 312.373 1.907 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccccn1 13597951 LHJLGHGHHDKLMY-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB COCCN(Cc1ccco1)C(=O)c1cccc(C(N)=O)c1 25097401 WKEOENGEMZXUSO-UHFFFAOYSA-N 302.330 1.667 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)o2)o1 29502176 XMHLURKVELSNSS-SECBINFHSA-N 312.347 1.580 0 40 DDAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](Oc2ccccn2)C1 238885500 PYGOBNDMYRTMGL-JTQLQIEISA-N 324.324 1.817 0 40 DDAB COc1cccc(C(=O)N2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1 2037985457 KRHMSHQBUBWZFC-ZFWWWQNUSA-N 318.373 1.015 0 40 DDAB CC1(C)C[C@@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NCc1cccnc1 2056224299 VNSVTUWRMMBNMI-LBTNJELSSA-N 313.401 1.735 0 40 DDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3CCC(C)C)n(C)n1 1565541652 KYAVDOZBXACCKP-HOTGVXAUSA-N 304.438 1.950 0 40 DDAB Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CC1)CCC2 1565552113 KRYBSPWTSQKEJE-UHFFFAOYSA-N 318.356 1.066 0 40 DDAB O=C(N1CCOC[C@]2(C[C@H](Cn3ccnc3)CO2)C1)C1(F)CC1 1565545534 IDXSEIAKDZMEGK-HIFRSBDPSA-N 323.368 1.019 0 40 DDAB CCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714785 RNJGXJPCCIOAKJ-GFCCVEGCSA-N 318.421 1.596 0 40 DDAB COc1cccc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)c1 2055746460 IIYPLKKXEZVBIC-USXIJHARSA-N 318.417 1.763 0 40 DDAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1C[C@H]1CCOC1 2298053038 JASQFZRRKMCZGB-LLVKDONJSA-N 306.749 1.689 0 40 DDAB O=S(=O)(NC1CCN(c2nc3ccccc3[nH]2)CC1)C1CC1 2298071719 FLJWKFHCRNHUJR-UHFFFAOYSA-N 320.418 1.614 0 40 DDAB COc1cccc2cc(C(=O)NCC3(O)CCOCC3)oc12 70638898 BNWOSCGZGKVWJU-UHFFFAOYSA-N 305.330 1.713 0 40 DDAB O=C(c1ccc(Br)o1)N1CC(Cn2cncn2)C1 888106969 JEBNXJRDVSSMIU-UHFFFAOYSA-N 311.139 1.406 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1ccc(N2CCOCC2)cn1 40489734 RXQUSAWWOYVDSN-UHFFFAOYSA-N 316.361 1.704 0 40 DDAB Cc1cc(SCC(=O)NN2CCOCC2)nc(C(C)C)n1 10434348 AJEAIXHXBYRKDF-UHFFFAOYSA-N 310.423 1.364 0 40 DDAB CC(C)N(C)S(=O)(=O)N[C@@H](c1ccccc1)c1nccn1C 40539414 NQUHXCOSIHSEBU-AWEZNQCLSA-N 322.434 1.684 0 40 DDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCCCC1 40540652 COCBDWDGKMETHX-HNNXBMFYSA-N 317.368 1.917 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 40512146 MPWRAXQUISRTTN-SKDRFNHKSA-N 309.329 1.703 0 40 DDAB Cc1nnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 32735883 DSYNHIDFXZFQKR-UHFFFAOYSA-N 318.402 1.931 0 40 DDAB CC(C)NC(=O)c1ccc2c(c1)nc1n2CCN(CCCO)C1 20732753 PYFZRIMRRHBCIU-UHFFFAOYSA-N 316.405 1.373 0 40 DDAB CCN1CCC[C@@H]1CNc1c(NCc2ccncc2)c(=O)c1=O 101694197 PWFDLRMFNNJHFV-CYBMUJFWSA-N 314.389 1.186 0 40 DDAB Cc1csc(CNC(=O)c2nc3nc(C)cc(C)n3n2)n1 21482432 UKWFGNWIDSIXHA-UHFFFAOYSA-N 302.363 1.436 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 207891 IARBWFOJICOXTA-LMOYCYGVSA-N 319.744 1.799 0 40 DDAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC[C@H](O)C2)CC1 84200142 VBGSYQFXAOKQCP-ZDUSSCGKSA-N 312.410 1.617 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1CCOc1ccccc1 2616806 SRPMDDKYQLBCNY-UHFFFAOYSA-N 303.339 1.910 0 40 DDAB CCOC(=O)N(C)CC(=O)NCc1ccc(NC(C)=O)cc1 32922019 ACCNVTHOFHEGHR-UHFFFAOYSA-N 307.350 1.350 0 40 DDAB CO[C@@H](CNC(=O)CCn1cncn1)c1cccc(Cl)c1 76067205 SHUXWFNREVFHJB-ZDUSSCGKSA-N 308.769 1.826 0 40 DDAB CC(=O)N1CCN([C@@H]2CN(Cc3c(C)noc3C)C[C@@H]2C)CC1 78896065 HEERQQDDKWXLRG-YVEFUNNKSA-N 320.437 1.276 0 40 DDAB CC(C)OC[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 519389 FQWYZLYUAHEXFV-RRFJBIMHSA-N 306.406 1.053 0 40 DDAB biogenic O=C(NCCCN1CCOCC1)c1coc2ccccc2c1=O 33406679 KKAZGULVESXBJX-UHFFFAOYSA-N 316.357 1.245 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1 6953177 LVHCVWIYLOEPTR-ZDUSSCGKSA-N 309.797 1.879 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cnn(C)c1 53409461 VQWVQEXYSUCKBW-INIZCTEOSA-N 312.373 1.010 0 40 DDAB Cc1nc(CN2CCN(C(=O)NC[C@@H]3CCOC3)CC2)cs1 47066867 VYKOWBWZHQQYRG-ZDUSSCGKSA-N 324.450 1.315 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 107198690 XHOPMQMFEHNHNN-FRRDWIJNSA-N 306.387 1.633 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CSc3ccccc3O1)C2 69877053 DJXKRJKKOMJQJS-LBPRGKRZSA-N 316.386 1.482 0 40 DDAB COc1ccc(-c2cc(C(=O)O)n3ncnc3n2)cc1OC 8342542 DKHXIHKWTIHDEZ-UHFFFAOYSA-N 300.274 1.507 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)NCCN2CCOCC2)cc1C 8497476 UHKVYBVBRSWUHG-HNNXBMFYSA-N 306.406 1.519 0 40 DDAB COc1ccc(CCNC[C@@H]2CNc3ccnn3C2)cc1OC 69877809 IROHUJSIXCABIM-CQSZACIVSA-N 316.405 1.774 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 22283110 ISQJAZGBYUBSHC-SECBINFHSA-N 305.359 1.577 0 40 DDAB C[S@@](=O)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 69894206 HWOYCVUTSNMONN-NRFANRHFSA-N 302.355 1.775 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)O)C1 92181562 LFVKWHKYLVHKMY-GHMZBOCLSA-N 311.359 1.311 0 40 DDAB O=C1OCC[C@@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 25369887 WBFPFLQRYQJCEP-ZDUSSCGKSA-N 308.765 1.413 0 40 DDAB Cc1c([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cnn1C 101616294 DPTYGCMZUBIJJP-AFROZRCLSA-N 303.362 1.429 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H]2CCCCN2)cc1F 44492787 ZVVUADPJUAVMSS-SNVBAGLBSA-N 302.371 1.255 0 40 DDAB NC(=O)C1CCN(c2ncc(Br)cc2F)CC1 228873149 CVVFFRPFDHDZFH-UHFFFAOYSA-N 302.147 1.685 0 40 DDAB Cc1ccc(CN(C)C(=O)[C@H](CC(C)C)NS(C)(=O)=O)o1 44513724 UCXQYFQRNFASDT-ZDUSSCGKSA-N 316.423 1.510 0 40 DDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NC1CCCC1 10198347 FGJYXEMHHNDEFQ-UHFFFAOYSA-N 321.768 1.141 0 40 DDAB O=C1OCC[C@H]1N1CCC(n2c(=O)[nH]c3ccccc32)CC1 44894330 NTMHAZYYZLDXMP-CQSZACIVSA-N 301.346 1.282 0 40 DDAB CCOCCOC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 58265293 JKNXZKPQMXQCTD-AWEZNQCLSA-N 320.389 1.582 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1 58210723 JXNXOSGFHUMMDL-OAHLLOKOSA-N 312.373 1.821 0 40 DDAB C[C@@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1 22239411 WHPDYTSMKIGCFD-VXGBXAGGSA-N 306.362 1.141 0 40 DDAB O=C(NC[C@H](NC(=O)c1ccccn1)C1CC1)c1ccccn1 58268480 YMCVETFOFLJWKD-HNNXBMFYSA-N 310.357 1.415 0 40 DDAB CCN(CC)C(=O)CCNC(=O)CCc1c(C)noc1Cl 58292470 DHTWOHFHAIGPQM-UHFFFAOYSA-N 315.801 1.944 0 40 DDAB CCN(CC)CCCNC(=O)c1cnn2c(C)cc(C)nc12 44908639 VZDBYQYUJLBFIT-UHFFFAOYSA-N 303.410 1.808 0 40 DDAB Cc1cnc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cn1 44911311 QXDWJXBXXZUHIP-CQSZACIVSA-N 304.394 1.112 0 40 DDAB O=C(Nc1nccs1)N[C@@H]1CCCN(c2ncccn2)C1 44971804 FTLFGWVWLAHJLU-SNVBAGLBSA-N 304.379 1.724 0 40 DDAB O=C(N[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12)c1cscn1 107204504 HCDRUBXPKNYYBB-MRVWCRGKSA-N 307.419 1.515 0 40 DDAB COc1ccc(F)cc1CS(=O)(=O)C[C@H](O)C(F)(F)F 97141624 BCUOJOCIRXJLMM-JTQLQIEISA-N 316.272 1.672 0 40 DDAB NC(=O)CN1CCC(Oc2cccc(Br)c2)CC1 97135314 ACURJPULJHNAPK-UHFFFAOYSA-N 313.195 1.778 0 40 DDAB CC(C)OCCN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O 48261474 AIFLWBZRHBRYQE-LBPRGKRZSA-N 304.346 1.963 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@@H](O)c1ccc(F)c(F)c1 48249533 JDCWPUUOXOWYLX-CQSZACIVSA-N 324.331 1.584 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)[C@@H](C)CO1 45449488 NPIHXQLGNVZFPC-STQMWFEESA-N 300.362 1.576 0 40 DDAB COCc1ccccc1CNC(=O)[C@H]1CCCN(C(C)=O)C1 45441902 QUAJWNRXJSHVPM-HNNXBMFYSA-N 304.390 1.708 0 40 DDAB O=C(NCc1ccccn1)N1CCN(c2nccs2)CC1 48301221 DESAMXDNDBCFIJ-UHFFFAOYSA-N 303.391 1.570 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 69980792 IWSGYRMVTMWBRR-ZIAGYGMSSA-N 308.397 1.844 0 40 DDAB CCC[C@@H](O)CC(=O)OCC(=O)c1ccc(OC)cc1OC 69974262 NQHIVAWIYJUUFD-LLVKDONJSA-N 310.346 1.981 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3462591 LOUZLJPCNOZGDX-OAHLLOKOSA-N 323.780 1.632 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 69901558 UMFMQXQEORFMSY-HOTGVXAUSA-N 318.421 1.674 0 40 DDAB CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@H](C)C(C)C)c1 3521371 XMZIBXWSZQBRQS-LLVKDONJSA-N 306.362 1.963 0 40 DDAB Cc1cc(-c2nnn(CC(=O)N3CCO[C@H](C)C3)n2)ccc1F 71839277 ZXHATPPCPFINSU-LLVKDONJSA-N 319.340 1.035 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 13255248 VNKNTAYQELMPHE-STQMWFEESA-N 323.370 1.696 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCc2cccc(OC)c2)CC1 71881076 MIKHHTCZDGRDDJ-INIZCTEOSA-N 320.433 1.543 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 71826870 WYMMUMCFLKAPPW-LLVKDONJSA-N 301.346 1.564 0 40 DDAB CCc1noc(CCCC(=O)N2CCC[C@H]2Cn2cccn2)n1 71866619 ULENVZVGMPKLND-ZDUSSCGKSA-N 317.393 1.842 0 40 DDAB O=C(O)c1nn(-c2ccc(Br)cc2)c2c1CNCC2 82810823 ODVXPLDUCOTQDG-UHFFFAOYSA-N 322.162 1.979 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H](C(C)C)n3cncn3)C2)n1 71823492 XSRFOFVYBWRNAG-QWHCGFSZSA-N 318.381 1.573 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)c(C)c1 71888919 DTELUCJFHCXLLO-ZDUSSCGKSA-N 312.435 1.242 0 40 DDAB CC(C)n1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 4454252 YMGAQNBAEPEHOY-UHFFFAOYSA-N 305.382 1.749 0 40 DDAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cccnc1O 14094643 HCTWSGOANFELQN-UHFFFAOYSA-N 308.341 1.945 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](O)c1cccc(F)c1 65512386 DEFHFOWBJKPKQL-HNNXBMFYSA-N 306.385 1.757 0 40 DDAB CCN1C[C@H](C(=O)NC[C@H](c2ccsc2)N(C)C)CC1=O 65591524 OEPLFHNVPLREAQ-CHWSQXEVSA-N 309.435 1.335 0 40 DDAB CN1CCN(CCNC(=O)CCSc2ccccc2)CC1 65550033 YWGIQGADUXJRJP-UHFFFAOYSA-N 307.463 1.532 0 40 DDAB Nc1nnc(SCC(=O)N2CCc3sccc3C2)s1 14141657 NVXGTLXBETZURK-UHFFFAOYSA-N 312.445 1.859 0 40 DDAB O=C(CCNc1ncccn1)N1CCC[C@H](n2cccn2)C1 65609546 SFPUQYOMSLMOGR-ZDUSSCGKSA-N 300.366 1.339 0 40 DDAB O=C(c1ccccc1O)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408617931 BLVVSUIQXUBEQH-JRNUYWEUSA-N 309.321 1.586 0 40 DDAB CCOC(=O)[C@@H](C)N1CCN(Cc2csc(CC)n2)CC1 71915646 CLKBKCLZPYNXPE-GFCCVEGCSA-N 311.451 1.775 0 40 DDAB COC(=O)c1cc(NC(=O)c2ccccn2)cc(C(=O)OC)c1 6847958 QVRTVWHQMUOBCO-UHFFFAOYSA-N 314.297 1.907 0 40 DDAB CCCNC(=O)[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 90086389 YPEDSLVBBMCIDQ-NSHDSACASA-N 314.393 1.350 0 40 DDAB Cn1ccnc(NCC2(CN3CCOCC3)CCCCC2)c1=O 81033755 AELHGLWCWKCWPM-UHFFFAOYSA-N 320.437 1.475 0 40 DDAB COc1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1 65305585 TXIDKNSAWVOWEK-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB O=C(CNC(=O)c1cccs1)NCc1cn2ccccc2n1 7944858 XNUAVMWWMKRAEV-UHFFFAOYSA-N 314.370 1.442 0 40 DDAB C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccco1 8134379 RRQHUJZYEFGNPL-SNVBAGLBSA-N 313.313 1.160 0 40 DDAB CCCCSC(SCCCC)[C@H](O)[C@H](O)[C@H](O)CO 96300816 QUDBRYPRPNLJKZ-IJLUTSLNSA-N 312.497 1.454 0 40 DDAB CSc1ccc(N2CCC(CN3CCOCC3)CC2)nn1 96453511 WYPFURQDCCDYGX-UHFFFAOYSA-N 308.451 1.747 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(CC(=O)Nc2ccncc2)CC1 69652367 BLTODHFLNNVYSP-OAHLLOKOSA-N 320.437 1.045 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 69628545 RUKYMJMYWODOEG-OAHLLOKOSA-N 315.417 1.626 0 40 DDAB O=C(Cn1cccnc1=O)Nc1ccn(Cc2ccccc2)n1 69654856 KBIUTRBRPAFTPC-UHFFFAOYSA-N 309.329 1.127 0 40 DDAB Cc1cc(C(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)[nH]n1 69777277 RFDICAWLOBETDY-AWEZNQCLSA-N 300.362 1.935 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1cnn(Cc3ccccc3)c1)CC2 69772864 RUFJAMMJEYNVRM-QGZVFWFLSA-N 322.416 1.936 0 40 DDAB COCCn1cnc2ccc(NC(=O)c3ccco3)cc2c1=O 95475757 CRMWZZUCYZUVNB-UHFFFAOYSA-N 313.313 1.888 0 40 DDAB Nc1noc(CCNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)n1 98016486 IJOHFYJZTLJBLD-SUMWQHHRSA-N 312.373 1.605 0 40 DDAB CNC(=O)C1CCC(NC(=O)c2c(C)nsc2NC)CC1 95956763 RPTQBSNQPVRKLQ-UHFFFAOYSA-N 310.423 1.528 0 40 DDAB O[C@H]1c2ccccc2C[C@H]1N1CCCN(c2ncccn2)CC1 95987358 PRBUNCXHVUTBML-SJORKVTESA-N 310.401 1.647 0 40 DDAB CC(C)CCNC(=O)C1CCN(c2ccnc(N(C)C)n2)CC1 95960962 DABRNRIQPFPXIO-UHFFFAOYSA-N 319.453 1.921 0 40 DDAB CCNS(=O)(=O)c1ccc(CNC(=O)c2cc[nH]c2C)cc1 89977542 KXSGBUVAXCDDPI-UHFFFAOYSA-N 321.402 1.551 0 40 DDAB COc1ccc(CN(C)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 89930237 KVMUWFLMSUETIQ-STQMWFEESA-N 307.394 1.158 0 40 DDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCOC[C@@H]3C3CC3)ccc21 89972144 VDQGCUKGGHYJEO-CQSZACIVSA-N 301.346 1.118 0 40 DDAB CC[C@@](C)(NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)O 89941977 VIOLRPDNILRAAB-CZUORRHYSA-N 306.362 1.623 0 40 DDAB C[C@]1(C(=O)N[C@@H]2CCC[C@@H](N)C2)CC(c2ccccc2)=NO1 1548558001 SEJPDDZEYQGDMB-CKEIUWERSA-N 301.390 1.956 0 40 DDAB CN(CCN1CCCC1=O)C(=O)[C@H](O)Cc1ccccc1Cl 548121002 LDOVWLUIFWGMBJ-CQSZACIVSA-N 324.808 1.324 0 40 DDAB C[C@H](CN(C)C(=O)CCc1ccc(F)cc1F)c1nnn[nH]1 124248993 SLRDCSRRMHCTCK-SECBINFHSA-N 309.320 1.673 0 40 DDAB Cc1cccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)c1 35648370 PPGHQXOEZFSNNT-VUUNSECVSA-N 323.395 1.642 0 40 DDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@@H]2c2ccccc2)cc1 409054958 OSIVNDFHYFCOIS-HUUCEWRRSA-N 311.341 1.169 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)no1 306131497 KGNMPTUULHGZHJ-JKSUJKDBSA-N 312.373 1.867 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H](NC(C)=O)[C@H](N)C1 3874571 VSZGPKBBMSAYNT-ILXRZTDVSA-N 312.410 1.285 0 40 DDAB biogenic,in-vitro CCOC(=O)c1ccc(N2CCN(CC(C)C)C(=O)[C@@H]2C)nc1 32516132 JMPIMHJTLSBGSJ-ZDUSSCGKSA-N 319.405 1.951 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2ccon2)[C@@H]1c1ccc(F)cc1 72242243 JKZLWYVHMCZCHJ-RISCZKNCSA-N 303.293 1.972 0 40 DDAB CN1CC[C@H](NC(=O)NCC2(CO)CCC2)[C@@H]1c1ccccc1 182060944 SYMFFWPLLUDFJP-HOTGVXAUSA-N 317.433 1.894 0 40 DDAB CO[C@H]1C[C@H](NS(=O)(=O)c2cccc3c2OCC3)C12CCC2 561457903 VIYUMGHPZIYWRX-KBPBESRZSA-N 323.414 1.857 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](c2cc[nH]n2)C1 72384923 QCESEYKZFVJYIQ-VIFPVBQESA-N 313.283 1.641 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc(C(F)F)cc1 71415918 XPRUZALFAKUECE-UHFFFAOYSA-N 320.361 1.235 0 40 DDAB CC(C)(C)OC(=O)NCCCC(=O)Nc1nnc2ccccn12 41837038 OQDMQYXOJPOSGR-UHFFFAOYSA-N 319.365 1.973 0 40 DDAB CCn1ccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)n1 40776605 GRXSNRPYQDYTIL-HNNXBMFYSA-N 300.318 1.631 0 40 DDAB CCc1ccc(NC(=O)CNC(=O)c2cc(C)nn2C)cc1 40757399 PFCUHIMXYUABIL-UHFFFAOYSA-N 300.362 1.659 0 40 DDAB Cc1c(CCC(=O)Nc2ccc3c(c2)c(O)nn3C)cnn1C 227164955 YSFRSNDBGMOTCS-UHFFFAOYSA-N 313.361 1.892 0 40 DDAB CCc1c(C)sc2c1c(N)nc(=O)n2CCN1CCOCC1 40288415 JJZDMKSYSYOJJU-UHFFFAOYSA-N 322.434 1.243 0 40 DDAB Cc1ccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 46088773 OEJBEZQPNPVYJC-UHFFFAOYSA-N 310.357 1.782 0 40 DDAB CO[C@@H]1CCC[C@H]([C@H](NC(=O)[C@@H](C)n2cccn2)C(=O)O)C1 573459198 WCDOPWXFUVJGQB-XQHKEYJVSA-N 309.366 1.219 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1cnccn1 96062058 SWGCJCWIBJFHRH-GFCCVEGCSA-N 323.360 1.135 0 40 DDAB Cn1nc(CN2CCCC2=O)c2c1CN(C(=O)CC1CC1)C2 96259099 BCGNKSMKOSKHNF-UHFFFAOYSA-N 302.378 1.185 0 40 DDAB CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CCNCC2 96260597 GMALOMAIFOKYSF-UHFFFAOYSA-N 302.422 1.730 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3O2)n1 96219116 AMMZLUCWADRHKL-JBLDHEPKSA-N 320.374 1.307 0 40 DDAB Cn1cc(CN2Cc3cn(C)nc3[C@H](COCC3CC3)C2)cn1 96059854 WRZIGSQNTZCAEH-INIZCTEOSA-N 315.421 1.680 0 40 DDAB C[C@H]1CN=C(N2CCN(c3cc(Cl)nc(N)n3)CC2)S1 96424097 YUXNHOBDLMIOIR-QMMMGPOBSA-N 312.830 1.326 0 40 DDAB O=C(NC1(c2cccc(Br)c2)CC1)c1cnn[nH]1 96419316 BTTGEBQMZMFYJO-UHFFFAOYSA-N 307.151 1.986 0 40 DDAB CCC[C@@H](N)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 96481171 GRMBZLKORRSMFR-OAHLLOKOSA-N 303.406 1.489 0 40 DDAB Cc1nc2c(Br)c(=O)[nH]n2c(C)c1CCC(=O)O 95097254 UKPJMRRQMJCLNF-UHFFFAOYSA-N 314.139 1.419 0 40 DDAB O=C(O)C1CCN(c2nccn(-c3ccccc3F)c2=O)CC1 96530503 AAADFILNCLUNDL-UHFFFAOYSA-N 317.320 1.673 0 40 DDAB CCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96238006 PHRNQPTZQRULEJ-QGZVFWFLSA-N 319.380 1.485 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1(CN)COC 242688162 VIEAGEMYHAWIPR-MJBXVCDLSA-N 301.383 1.318 0 40 DDAB CCc1ccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)cc1 242523992 BXWIGNPWLJQPBH-UHFFFAOYSA-N 312.435 1.930 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)n1 257310373 UEVFWMYVVQYCIB-LBPRGKRZSA-N 308.345 1.457 0 40 DDAB CCc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)n[nH]1 538696598 PHFCAEHOLAFDKM-UHFFFAOYSA-N 314.324 1.873 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1cccnc1 43785244 OZKHFCAYIZAYGD-CYBMUJFWSA-N 312.377 1.464 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc3c2OCCO3)[C@H]1O 257322734 WHEAUYXIQMGHJP-UMVBOHGHSA-N 321.373 1.458 0 40 DDAB CO[C@@]1(COc2ccccc2C)CCCN(S(C)(=O)=O)C1 585275045 UWKHRKZJOVRAFD-HNNXBMFYSA-N 313.419 1.814 0 40 DDAB O=C(O)C[C@@H]1CN(Cc2cc[nH]n2)CC[C@H]1Oc1cccnc1 585284378 FEWMXYVBOCLEGH-IUODEOHRSA-N 316.361 1.549 0 40 DDAB CNC(=O)CN1CCC[C@@](COc2ccccc2C)(OC)C1 585274437 LCARUAYTWAYKAK-QGZVFWFLSA-N 306.406 1.601 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58184404 GIHZRPYPUTXXEQ-MRXNPFEDSA-N 321.352 1.461 0 40 DDAB COC(=O)c1cc(=N)[nH]c(Cl)c1I 1857524144 UGYOXHGXLHLSCT-UHFFFAOYSA-N 312.494 1.539 0 40 DDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 5700878 KZUODDHFEGWSGU-ZWNOBZJWSA-N 322.336 1.422 0 40 DDAB Cc1ccc2cc(S(=O)(=O)N(CCO)CCO)ccc2c1 12290770 QOTONNZCAJRAET-UHFFFAOYSA-N 309.387 1.124 0 40 DDAB COc1ccccc1OCCn1c(=O)[nH]c2ccccc2c1=O 15424765 PRMJLXBPICQEAY-UHFFFAOYSA-N 312.325 1.777 0 40 DDAB O=C([C@H]1CCCN(c2ncc(F)cn2)C1)N1CCSCC1 1889095500 PGBADZGZUSCJLY-NSHDSACASA-N 310.398 1.408 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 40433606 QZMJNGJLARSTFA-LLVKDONJSA-N 307.375 1.453 0 40 DDAB CC(=O)N1CC2(CCN(C3CCOCC3)CC2)C[C@H](O)C1(C)C 2037849958 WIYAALZQXRCQOM-INIZCTEOSA-N 324.465 1.639 0 40 DDAB O=C(c1cc[nH]c1)N1CCCn2nnc(Cn3cccc3)c2C1 1565555647 MJGBOUYSBJLPKV-UHFFFAOYSA-N 310.361 1.502 0 40 DDAB O=C(C1CC1)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 2055819358 KVKVMKZGVFCZQS-UHFFFAOYSA-N 319.449 1.476 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2ccc(Cl)cn2)C1)C1CC1 2086884608 UIWKOFROCIVFKF-LLVKDONJSA-N 315.826 1.786 0 40 DDAB NC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(N)=O)c1 3108395 MUQBXMSGHIQTEC-JZJYNLBNSA-N 307.309 1.863 0 40 DDAB Cn1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 32885645 SBGLBPVZFKKQFN-UHFFFAOYSA-N 300.240 1.239 0 40 DDAB CC(C)(C)c1noc(CN2CCN(C(=O)c3ccco3)CC2)n1 30148068 OCVZBASXSLKUQA-UHFFFAOYSA-N 318.377 1.918 0 40 DDAB CCCCc1noc(CN2Cc3ccccc3C[C@@H]2C(N)=O)n1 40489781 YEXZQBBSIFLKQU-CQSZACIVSA-N 314.389 1.824 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)CN1CCOCC1 40528184 XDJVTEVFYMRZPY-GFCCVEGCSA-N 316.398 1.133 0 40 DDAB CCSc1ncc(Cl)c(C(=O)NCCC(=O)OC)n1 41097344 XBLGXGXDPSIBFB-UHFFFAOYSA-N 303.771 1.535 0 40 DDAB Cn1ncc2c(N(C[C@@H]3CCCO3)C[C@H]3CCCO3)ncnc21 52314538 KTXKQLCOJVMZAU-BETUJISGSA-N 317.393 1.528 0 40 DDAB CC(C)c1nc([C@H]2CCCN2C(=O)Cn2ccccc2=O)no1 76044339 PDVOFBBCYYWKHH-GFCCVEGCSA-N 316.361 1.718 0 40 DDAB COC(=O)c1cc(CNC(=O)[C@@H]2Cc3ccccc3O2)oc1C 76147787 YMHJHANETFIUGN-HNNXBMFYSA-N 315.325 1.995 0 40 DDAB Cc1cc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)[nH]n1 79022659 JGGZCJNRKYDIMG-UHFFFAOYSA-N 306.316 1.959 0 40 DDAB O=S(=O)(Cc1ccccc1)NC[C@H]1COc2ccccc2O1 2913841 DYAVMGQERWDQCA-AWEZNQCLSA-N 319.382 1.946 0 40 DDAB C[C@@H](OC(=O)Cc1cccc2ccccc12)C(=O)NC(N)=O 3508232 ZZTJAHIJOJOPSR-SNVBAGLBSA-N 300.314 1.509 0 40 DDAB COC(=O)c1ccccc1Nc1nnc(C(C)(C)C)c(=O)[nH]1 4225046 KPDSZVYAKVUTIL-UHFFFAOYSA-N 302.334 1.993 0 40 DDAB Cc1nc(Nc2cnn(CC(N)=O)c2)c2c(C)csc2n1 97163549 CYTPZFSLVMYJBY-UHFFFAOYSA-N 302.363 1.734 0 40 DDAB O=C(CCn1cncn1)NC[C@@H](c1cccs1)N1CCCC1 41952683 SGEOFTNCIDOWLN-ZDUSSCGKSA-N 319.434 1.683 0 40 DDAB CCNC(=O)CN(C)c1ncnc2c1cnn2-c1ccccc1 47254909 AGSNYGIEYPUBQU-UHFFFAOYSA-N 310.361 1.388 0 40 DDAB Nc1nc2c(ncn2C(=O)c2ccc(Cl)cc2Cl)c(=O)[nH]1 8377125 BGLQMWHMCABDMU-UHFFFAOYSA-N 324.127 1.697 0 40 DDAB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=S)N1 8718066 LEOOCOQMMAMVLQ-ZDUSSCGKSA-N 320.370 1.196 0 40 DDAB COc1ccc2nc(C)c(C(=O)N3CC[C@H](C(N)=O)C3)cc2c1 53893445 VUDJUPMOESEAND-NSHDSACASA-N 313.357 1.499 0 40 DDAB NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ccccc12 83996182 VGBYJMRDVHINGT-UONOGXRCSA-N 318.398 1.772 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1 55094081 KPJFLLYULCFHTO-UHFFFAOYSA-N 306.410 1.641 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)NCCn2ccnc2)c1 43310746 AKVPAKXBPVQROL-LBPRGKRZSA-N 318.377 1.961 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN([C@H](C)C(=O)N3CCCC3)C2)n1 106786948 ROLAKNWQMQDNRT-CJNGLKHVSA-N 319.453 1.618 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)on1 25271024 PHHHDGCUQYENKM-UHFFFAOYSA-N 305.359 1.643 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)c1 58159858 GYNXFJULNVIQLM-OLZOCXBDSA-N 316.365 1.302 0 40 DDAB CN1N=C(C(=O)Nc2ccc(-c3csnn3)cc2)CCC1=O 57241479 GKXPWTSOPWBYBF-UHFFFAOYSA-N 315.358 1.752 0 40 DDAB CC(C)CN1CCO[C@H](CNS(=O)(=O)c2cccs2)C1 26957918 SRSAZAWENVCRTK-GFCCVEGCSA-N 318.464 1.383 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 100179778 YYWXQLYAGFRUQP-NWOLRWQLSA-N 309.321 1.973 0 40 DDAB Cc1cc2nc(SCC(=O)NC(C)(C)C)n(C)c(=O)c2[nH]1 57521589 NKRISBWDGPANTD-UHFFFAOYSA-N 308.407 1.577 0 40 DDAB O=C(NCCN1CCN(c2nccs2)CC1)NC1CCCC1 48234973 SANVMDJURSQNRU-UHFFFAOYSA-N 323.466 1.507 0 40 DDAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100315998 SMLSGZWTQNCHJF-BCUIYNNISA-N 301.298 1.066 0 40 DDAB CC(=O)N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 12782575 SUWFSZLFUUMVLC-UHFFFAOYSA-N 304.346 1.039 0 40 DDAB O=C1CN(c2ccc(NC(=O)OCC(F)(F)F)cn2)CCN1 44980674 JWLPNUBVIMNQDV-UHFFFAOYSA-N 318.255 1.129 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)c(C)c1 58406204 HMRYWUUHGNHHAR-OAHLLOKOSA-N 318.417 1.918 0 40 DDAB Nc1nc(SCC(=O)Nc2nc3ccc(F)cc3s2)n[nH]1 10716063 KTVWJLOGMGCPAF-UHFFFAOYSA-N 324.366 1.867 0 40 DDAB C[C@H]1CCCCN1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 36390204 CGPASWRIINSNKM-SWLSCSKDSA-N 317.389 1.140 0 40 DDAB C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(-n2cncn2)cc1 28439765 VSCGVMFGWVIKIQ-GFCCVEGCSA-N 323.356 1.457 0 40 DDAB CCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 48364281 DEXOXOLTYDBEKI-UHFFFAOYSA-N 312.435 1.835 0 40 DDAB O=C1COc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2N1 29010044 NGVCZDQOULFRBJ-MNOVXSKESA-N 316.313 1.623 0 40 DDAB O=C(OCC(=O)N1CCCC1=O)c1nc(Cl)ccc1Cl 3516529 ZZUBCKWEXWUWNR-UHFFFAOYSA-N 317.128 1.694 0 40 DDAB CCn1c(SCC(=O)NC(N)=O)nnc1-c1cccs1 3597725 WHIHCIRUMWDEGH-UHFFFAOYSA-N 311.392 1.314 0 40 DDAB COc1ccccc1CNC(=O)COC(=O)c1cccnc1 3530371 WASVDZNLQOFMFK-UHFFFAOYSA-N 300.314 1.563 0 40 DDAB NCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 63178845 HXFYHLOEYUAPEK-VIFPVBQESA-N 315.826 1.329 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)C1CCCC1 71866324 OPJLXKSEYRMACT-CVEARBPZSA-N 318.421 1.569 0 40 DDAB COC(=O)CNC(=O)NCCOc1cccc(Cl)c1Cl 49340457 GUVBBWQIPSNYJJ-UHFFFAOYSA-N 321.160 1.844 0 40 DDAB COc1ccccc1OCC(=O)N1CCN(CC(C)C)CC1 39976206 LFDRIMCBUMIJCM-UHFFFAOYSA-N 306.406 1.874 0 40 DDAB Cc1nsc2ncc(C(=O)N3CCN(C[C@@H](C)O)CC3)cc12 71871464 SGEJHVVKVUVXPP-SNVBAGLBSA-N 320.418 1.138 0 40 DDAB O=C(CN1CCCC1)NC(=O)Nc1ccc2c(c1)OCCO2 14095146 GXJGSQREPCQDKG-UHFFFAOYSA-N 305.334 1.202 0 40 DDAB COC(=O)c1ncn(Cc2ccc3oc(C(=O)OC)cc3c2)n1 172696141 OHXYOIHRNJPTSJ-UHFFFAOYSA-N 315.285 1.646 0 40 DDAB Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1C 7215934 LKOZFKFKUVSCTI-UHFFFAOYSA-N 322.386 1.583 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 68128494 GGDRZTBAOLVFPS-HZPDHXFCSA-N 321.469 1.203 0 40 DDAB COCCN1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 96134039 ZKVRPWSUJARTQI-OAHLLOKOSA-N 300.443 1.618 0 40 DDAB COC(=O)c1cc(OC(=O)c2ccncc2)cc(C(=O)OC)c1 7779779 VCVHQSIKGHABRC-UHFFFAOYSA-N 315.281 1.874 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(N)=O)ccc2Cl)C1 7814182 VLVNOXDZWRJNRM-VIFPVBQESA-N 316.810 1.860 0 40 DDAB COC(=O)c1c(NC(=O)N2CCNCC2)sc2c1CCC2 9340658 JEISZQYFPNRODC-UHFFFAOYSA-N 309.391 1.461 0 40 DDAB CCc1nn(C)cc1NC(=O)C1CCN(C(=O)N(C)C)CC1 91157339 KLNUNSLRQLQJEQ-UHFFFAOYSA-N 307.398 1.315 0 40 DDAB COc1c(C)cnc(Cn2c(-c3ncccn3)noc2=O)c1C 71905498 FZDMBLPQQXHHLP-UHFFFAOYSA-N 313.317 1.362 0 40 DDAB CCC[C@@](C)(NCc1nc(-c2ccccn2)no1)C(=O)OC 71908275 SCFNZYZVPHDVFA-OAHLLOKOSA-N 304.350 1.953 0 40 DDAB COc1ccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)cc1OC 69223844 HHPMRRMFMMXLNB-GFCCVEGCSA-N 321.421 1.986 0 40 DDAB CC(=O)N1CCC(CN2CCO[C@@H](Cn3cc(C)cn3)C2)CC1 69491229 LKMRYDNRXJKJRA-QGZVFWFLSA-N 320.437 1.151 0 40 DDAB CN(CCN1CCOCC1)C(=O)COc1ccc(F)cc1F 69442915 OWXTVOPRPWMZMV-UHFFFAOYSA-N 314.332 1.134 0 40 DDAB C[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)C(C)(C)c1ccccc1 69631721 QTQYMTPLEOKWMT-OLZOCXBDSA-N 303.406 1.870 0 40 DDAB CC(=O)[C@@H](C)OC(=O)CCNC(=O)N1CCc2ccccc2C1 69968312 SXEYMZGUZWXOLX-CYBMUJFWSA-N 318.373 1.665 0 40 DDAB Cn1cccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c1=O 96435122 FGBYXEINPFRNMK-OAHLLOKOSA-N 313.357 1.991 0 40 DDAB CCN(CC)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 72307143 RCQSZBZYDJMCMC-UHFFFAOYSA-N 315.414 1.534 0 40 DDAB C[C@@H](O)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97081959 QJZPSLWRDWHLRH-SKDRFNHKSA-N 303.280 1.986 0 40 DDAB Cc1cc(C)cc(OC[C@H](O)Cn2cnc(C)c(C)c2=O)c1 97082281 LROHILJNNDKXJC-OAHLLOKOSA-N 302.374 1.917 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(C)c2)C1 97051644 KMCWWYMKJJWWFQ-ZDUSSCGKSA-N 300.399 1.648 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CN(C)C2CC2)n1 72253033 OFNGJZFFWHVCSG-MRXNPFEDSA-N 304.438 1.975 0 40 DDAB CCOC(=O)NCCNCc1cc(OC)c2c(c1)OCCO2 72268136 DITYFYSYGMJRSQ-UHFFFAOYSA-N 310.350 1.302 0 40 DDAB CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2C[C@@H]2c2ccccc2)C1 84791030 XEISPJDSSVULRD-ZNMIVQPWSA-N 316.405 1.646 0 40 DDAB CCc1ccc(CC)c(NCC(=O)N[C@@H](C)C(=O)N(C)C)c1 95418009 OVJFPVCRDJLDHI-LBPRGKRZSA-N 305.422 1.816 0 40 DDAB CN(c1ncc(Br)cn1)C1CCS(=O)CC1 95406498 PGAWWFUINGJSSE-UHFFFAOYSA-N 304.213 1.586 0 40 DDAB C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c2ncccc12 95432893 UKMYUNNFGYSKDC-MRVPVSSYSA-N 300.767 1.547 0 40 DDAB O=C(N[C@@H]1COc2ccccc21)N1CC[C@@](O)(C(F)(F)F)C1 98016390 FCQZIEMQLFVADV-MFKMUULPSA-N 316.279 1.829 0 40 DDAB Cc1ccc2c(CC(=O)NCCN3CCOCC3)coc2c1 27587374 JAKKXDSKCRYXKO-UHFFFAOYSA-N 302.374 1.732 0 40 DDAB Cc1noc(C)c1CN1CCC(C(=O)Nc2ncccn2)CC1 95952944 BFIXFQVZKYXAKX-UHFFFAOYSA-N 315.377 1.932 0 40 DDAB O=C(O)[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 95949212 HKTMFIAIBGXSON-QWHCGFSZSA-N 308.378 1.101 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(C(=O)NCCc2cccs2)C1 89310363 UJKDTVHHMCCNNU-LBPRGKRZSA-N 309.435 1.800 0 40 DDAB COCCCC(=O)N(C)CCCCN(C)C(=O)CCCOC 89340333 OIXDARMXALYMOP-UHFFFAOYSA-N 316.442 1.537 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C 89643134 BSBBSXOUMTUHPR-LBPRGKRZSA-N 310.419 1.175 0 40 DDAB NS(=O)(=O)CCN(CCc1cccc(F)c1)C1CCCC1 89775070 ZSPHGFCTTFRIRQ-UHFFFAOYSA-N 314.426 1.901 0 40 DDAB COc1ccc(Cc2nnc3sc(S)nn3c2=O)cc1 27526267 NGJFTJKALRXHEP-UHFFFAOYSA-N 306.372 1.434 0 40 DDAB CN(CC(=O)OC1CCCC1)C1=NS(=O)(=O)c2ccccc21 61036405 QGYJYJXEZRQHPK-UHFFFAOYSA-N 322.386 1.553 0 40 DDAB O=C(NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cnn2ccccc12 408493325 GMHLHOCSFQGZFU-UHIISALHSA-N 319.386 1.583 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2c(Cl)ccnc2Cl)CCO1 1560747293 IVWLQKIBTIKADD-JTQLQIEISA-N 304.177 1.335 0 40 DDAB O=C1CC[C@H](C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)N1 38752998 FBPTVXQBLSNDBB-GFCCVEGCSA-N 319.748 1.890 0 40 DDAB CCn1cc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)cn1 521431899 BKZSFMKBZIZLGL-UHFFFAOYSA-N 315.395 1.359 0 40 DDAB O=C(c1ccncc1)N1CCC(c2n[nH]c3nccnc23)CC1 72351200 APGXZTHTLVQVJH-UHFFFAOYSA-N 308.345 1.768 0 40 DDAB CO[C@@H]1CCC[C@H]1OC(=O)CCc1c(C)nc2ncnn2c1C 78985627 UXAKAXVYQCLJDY-ZIAGYGMSSA-N 318.377 1.784 0 40 DDAB Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)C2CCOCC2)cc1 72321680 UCKXXDYHOVZSCG-QBPKDAKJSA-N 319.401 1.116 0 40 DDAB biogenic,in-vitro CS(=O)(=O)N1CC[C@H](Cc2ccc(NC3CCCC3)nn2)C1 72366281 JPLKZGFGXAYBMW-GFCCVEGCSA-N 324.450 1.655 0 40 DDAB Nn1c(SCc2cccnc2)nc2cc(F)ccc2c1=O 71327741 KOXCAAGSFWCXMB-UHFFFAOYSA-N 302.334 1.937 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2C[C@H](C)O[C@H](C)C2)o1 72241088 HEGLOHHCEISNHK-GUTXKFCHSA-N 320.389 1.715 0 40 DDAB CCN1CCN(CCC(=O)N[C@@H]2CCc3c(F)cccc32)CC1 78394377 IZMLJRITHDUEPF-QGZVFWFLSA-N 319.424 1.957 0 40 DDAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3ccsc3)C2)nn1 567970119 IDOHAVIFGGWSDV-JTQLQIEISA-N 306.347 1.515 0 40 DDAB C[C@H](Cc1cccc(F)c1)C(=O)N(C)C[C@@H](C)c1nnn[nH]1 183451507 UETSCTBLCPHHKM-GHMZBOCLSA-N 305.357 1.780 0 40 DDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NCCS(=O)(=O)NCC1CCC1 195550671 CCMNLGNBYDHHHM-MJBXVCDLSA-N 316.467 1.109 0 40 DDAB Cn1cc(CCC(=O)N2CCC(Cc3ncc[nH]3)CC2)cn1 329205947 XXTVPPSTORWLEX-UHFFFAOYSA-N 301.394 1.557 0 40 DDAB Cc1cnn(CCC(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 328707551 LVGRMISVTFQHHD-GJZGRUSLSA-N 319.405 1.568 0 40 DDAB CCN(CC(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1)C1CC1 573030988 UZCLUBYOWNRKPF-YGRLFVJLSA-N 308.382 1.151 0 40 DDAB CCOC(=O)c1cnc2cc(-c3cccc(OC)c3)[nH]n2c1=O 136600339 PEIXCRNXWZRUSG-UHFFFAOYSA-N 313.313 1.875 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO)c(C)c1 190411902 FGPWSIKTFNKAAF-LSDHHAIUSA-N 308.422 1.885 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@H](CCN3S(=O)(=O)C3CC3)C2)o1 96249198 SUPTUHUBNGYOFG-CJNGLKHVSA-N 324.446 1.976 0 40 DDAB CN(C)C[C@@H]1CO[C@@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96051938 MGSOSEMGQBJQTO-AEFFLSMTSA-N 322.424 1.995 0 40 DDAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1CCOCC1)C2 96056876 GBDNKCDHBKDPLT-NVXWUHKLSA-N 311.422 1.847 0 40 DDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(C1CCC1)C2 96039797 XYZHAQHMYXBJQV-DOTOQJQBSA-N 310.438 1.515 0 40 DDAB Cn1cc(N2CC3(CCN(CC4CCC4)CC3)OCC2=O)cn1 96201455 FZPDSJXZSJBSCJ-UHFFFAOYSA-N 318.421 1.418 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1 96181865 XPNBXIXGKOPZHN-ZBFHGGJFSA-N 320.364 1.594 0 40 DDAB CC(C)CN1CC[C@@H](CNC(=O)N2CC[C@](F)(CO)C2)C1 332718841 JYEIIKJJVZCJPW-DZGCQCFKSA-N 301.406 1.080 0 40 DDAB CN1C(=O)C2(CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccccc1 96080439 VECMOELWLZDPLQ-ZDUSSCGKSA-N 308.403 1.242 0 40 DDAB O=C(NCc1ncccc1F)N1CCC(n2cccn2)CC1 96483824 RTQYUIYHJDMUIC-UHFFFAOYSA-N 303.341 1.964 0 40 DDAB O=C([C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCO1 97953649 KNWOUVLJIVOFQZ-SOUVJXGZSA-N 322.430 1.749 0 40 DDAB O=C(N1CCCC1)[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 96038708 KZHWMHNEWOHDIJ-CZUORRHYSA-N 321.446 1.747 0 40 DDAB O=C([C@@H]1CN(Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCC1 97953390 OCEBMHAIAYLOBF-GVDBMIGSSA-N 315.417 1.541 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2ccnn21 247840940 PWIHHWKESMAQOP-ZDUSSCGKSA-N 302.334 1.036 0 40 DDAB Cn1cccc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257255702 KINKAAPEISWQPL-AWEZNQCLSA-N 300.362 1.987 0 40 DDAB CN1CCN(Cc2c(F)cccc2F)C[C@H](C(=O)N(C)C)C1 257286809 PNDOMQSZGUULEA-GFCCVEGCSA-N 311.376 1.417 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)C2)n1 253388862 JSKLBSBDTASBPH-FRRDWIJNSA-N 319.361 1.751 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)CCc2c(C)noc2C)[C@H]1O 257271247 MXMIRYZBTCWVHC-IIAWOOMASA-N 310.394 1.659 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C(C)C)nc2)n1 257293404 QPIOBTOVHFJFOB-CYBMUJFWSA-N 315.377 1.845 0 40 DDAB COc1cccc(C(=O)N2CCC(C(=O)NCCCO)CC2)c1 269161304 OJFISDFZOZMLBB-UHFFFAOYSA-N 320.389 1.046 0 40 DDAB C[C@@H]1CN(C(=O)NCCc2ccc3c(c2)OCCO3)CCO1 43080317 YLDHPOUISCAAKM-GFCCVEGCSA-N 306.362 1.431 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccc(OC)cc1 260828413 PEKUXALQTJFILY-LLVKDONJSA-N 314.407 1.154 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 575405214 GZVLINKQEOWLOW-XBFCOCLRSA-N 302.378 1.045 0 40 DDAB CN1C[C@@H](COc2cccnc2)CC12CN(c1ncccn1)C2 585093884 MOPLGUPLMWAMFF-AWEZNQCLSA-N 311.389 1.461 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)c3ccncc3F)C2)nn1 585149721 SIBZURWNCJZBPL-NSHDSACASA-N 305.313 1.046 0 40 DDAB CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 57000349 YBPJKJGDVSKPOS-OAHLLOKOSA-N 321.465 1.626 0 40 DDAB CN(C)CCc1c[nH]c2ccc(C[C@H](CC(=O)O)C(=O)O)cc12 1569995737 RONCKBOOCNEYQV-CYBMUJFWSA-N 318.373 1.990 0 40 DDAB Cc1nc(O)c2c(n1)CN(Cc1ccc3nccnc3c1)CC2 19576615 UEXBLHDRVPGRCL-UHFFFAOYSA-N 307.357 1.992 0 40 DDAB Cc1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1 1888890184 RUFMVXOQXPVZKI-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nccc3sccc23)CCO1 1889089340 WHJVERHHWCMHJR-LBPRGKRZSA-N 303.387 1.780 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1 32836653 GDUYQJFIVWSFEA-OAHLLOKOSA-N 315.373 1.967 0 40 DDAB Cc1nc(C)c(C(=O)N(C)C2CN(c3cnccn3)C2)s1 1776001209 FDTSJTPHLICRRK-UHFFFAOYSA-N 303.391 1.511 0 40 DDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)NC1CC1 38590381 JUMNKJJYZGXAGW-UHFFFAOYSA-N 322.840 1.924 0 40 DDAB COCC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1614946729 OZYMIXLWKMONGI-OAHLLOKOSA-N 315.373 1.308 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)CC3(OC)CCC3)CC2)CN1C 1565542772 QCRAIEKGECXQSP-OAHLLOKOSA-N 324.465 1.905 0 40 DDAB O=C1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 4718035 MVIZUGAGRURBEV-CYBMUJFWSA-N 324.739 1.776 0 40 DDAB O=C(C[C@@H](NCCO)C(=O)O)Nc1ccc2ccccc2c1 4939766 HPGHLRIMGFDQEY-CQSZACIVSA-N 302.330 1.204 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1F)c1ccco1 10331012 KPULIZWKOWGIQU-ZDUSSCGKSA-N 319.336 1.776 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2occc2C)C1 2055771996 PMLLXMRZPRZJSW-INIZCTEOSA-N 316.361 1.162 0 40 DDAB CCOC(=O)[C@](NC(C)=O)(NC1CCCCC1)C(F)(F)F 19939202 LGACQGXFILSXSW-LBPRGKRZSA-N 310.316 1.867 0 40 DDAB CCc1cnc(N2CCO[C@H](C(=O)N3CCCCC3)C2)nc1 2086850351 XXUMQCMRBILSGJ-AWEZNQCLSA-N 304.394 1.257 0 40 DDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cccc(Cl)c1 575619143 HIUPNMULJZQZBF-UHFFFAOYSA-N 324.764 1.235 0 40 DDAB O=C(c1cccc2ccccc12)N1C[C@H]2C[C@H]1CS2(=O)=O 575615170 AXXPJDQCXWTMRW-QWHCGFSZSA-N 301.367 1.851 0 40 DDAB O=C1NCCN(Cc2nnsc2Cl)[C@@H]1c1cccs1 72799204 IMRMJVNEKAEDAM-SECBINFHSA-N 314.823 1.926 0 40 DDAB Cc1[nH]c2nc(NC(=O)C3CCCCC3)nn2c(=O)c1Cl 101394142 DNYVFQZGVWCGEU-UHFFFAOYSA-N 309.757 1.898 0 40 DDAB CN1CC[C@@H](CN(C)S(=O)(=O)c2cc(F)c(F)cc2F)C1 105621086 LFNUZAMTZXGKQQ-SECBINFHSA-N 322.352 1.676 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=O)CSc1ncccn1 215677523 DRPMLPFBIXMKPF-UHFFFAOYSA-N 319.342 1.914 0 40 DDAB CCOC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100166125 NADRFVQJUKWNGP-MWLCHTKSSA-N 322.704 1.147 0 40 DDAB CCC(NCCc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 20293061 NBTLNJBDJLDPHV-UHFFFAOYSA-N 315.373 1.533 0 40 DDAB Cn1c(C(=O)NCCCN2CCOCC2)cc2sccc21 20355633 OPYCSGDYVHJMIG-UHFFFAOYSA-N 307.419 1.692 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3C)C[C@@]23C=C[C@H]1O3 100833585 MCUHIBYSSDHIOM-ADAWSYLGSA-N 313.353 1.845 0 40 DDAB CCCCn1nnnc1CN(C)S(=O)(=O)c1ccc(C)cc1 40511202 FGJNWNDLWXMPCA-UHFFFAOYSA-N 323.422 1.602 0 40 DDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccncc1 40505199 PLCBPVDWKDHRKP-ZDUSSCGKSA-N 313.423 1.004 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 51319556 YVIYSJUMDDFUTJ-UHFFFAOYSA-N 301.321 1.476 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2O)C1 51443504 NSXFCCQMKSNKJF-GFCCVEGCSA-N 320.389 1.779 0 40 DDAB CC(=O)N1CCN([C@@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20726064 KBUCYBOBPSLIQY-MRXNPFEDSA-N 315.373 1.766 0 40 DDAB CC[C@@H]1CCCCN1C(=O)CN1CCC(N2CCNC2=O)CC1 52215577 BHAOJIAVKLHNFA-CQSZACIVSA-N 322.453 1.267 0 40 DDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccn(C)n1 32778136 NMKWSUZHBJMODJ-GFCCVEGCSA-N 306.391 1.875 0 40 DDAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 32824147 LLAJJJOUICAYPB-NSHDSACASA-N 317.345 1.769 0 40 DDAB CC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 138803 JSSKESUOKTYOTN-UHFFFAOYSA-N 323.308 1.586 0 40 DDAB Cc1nc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)no1 76084729 CYFOTXHXDDVDFN-NSHDSACASA-N 309.395 1.542 0 40 DDAB CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1c1ccc(C=O)cc1 1728826 DZZHGBYROUOPSE-HUUCEWRRSA-N 319.357 1.963 0 40 DDAB CN1CC[C@@H](CN(C)C(=O)NCCc2ccc3c(c2)OCO3)C1 78757780 SULIUFWBPZQMQR-CQSZACIVSA-N 319.405 1.551 0 40 DDAB COC(=O)c1ccccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 3329048 SUKNSIXBMOCKCL-RYUDHWBXSA-N 307.346 1.488 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cnnn2)c1 52954788 AXZQTOIRZBSAGI-CYBMUJFWSA-N 317.349 1.054 0 40 DDAB CCCCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 6597031 ZVXUHMGDJKQMFQ-UHFFFAOYSA-N 316.398 1.898 0 40 DDAB COC(=O)c1ccccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 22228078 YBPCCMWYEGMGRT-VXGBXAGGSA-N 306.362 1.521 0 40 DDAB CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 8091906 NVDDXFFYHQQAPC-UHFFFAOYSA-N 312.391 1.032 0 40 DDAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(N)=O)cc1 9301718 OXIHWGKLLKTCSS-JTQLQIEISA-N 317.370 1.919 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(CS(C)(=O)=O)c1 42532407 BWHPKOGBCULGAS-GFCCVEGCSA-N 321.402 1.246 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1F 9483970 WNMDWAYEDDPLPG-BFHYXJOUSA-N 305.353 1.554 0 40 DDAB CCn1cc(Br)cc1C(=O)N(CC(=O)O)C1CC1 37589311 NVRRSYYITJEMLY-UHFFFAOYSA-N 315.167 1.960 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2CC[C@H]1[C@@H]2OCCN1CCCC1 107806780 NBGFHZAZGYBMMN-VNQPRFMTSA-N 303.406 1.730 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CN(C(=O)c3ccno3)C[C@@H]2C1 107254090 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323.312 1.701 0 40 DDAB CC(C)n1ncc2cc(CN3CCNC(=O)C3(C)C)cnc21 108862557 QJBJXOKCDXNMSW-UHFFFAOYSA-N 301.394 1.723 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccoc2)CC1 27584670 NRIQQIVOOBXSLY-HNNXBMFYSA-N 313.357 1.264 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 44951275 GRVJJIFKMZMSSI-MNOVXSKESA-N 300.380 1.383 0 40 DDAB CNC(=O)[C@H](C)NC(=O)c1ccccc1SC[C@@H]1CCCO1 44979580 VVXDLDPEEMWFLD-RYUDHWBXSA-N 322.430 1.822 0 40 DDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](C)C1CC1 48261636 SGULTCAKOIHPLD-MEBBXXQBSA-N 317.368 1.819 0 40 DDAB Cc1cc(C)n2ncc(-c3noc([C@]4(O)CCSC4)n3)c2n1 97103448 XLMYUKHRSMJSPV-AWEZNQCLSA-N 317.374 1.721 0 40 DDAB Cn1cc(Cl)cc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 97147028 HJENKZYMHRXDBS-GFCCVEGCSA-N 309.728 1.774 0 40 DDAB Nc1cc(N)nc(SCC(=O)NCc2ccc(F)cc2)n1 3510229 HLRHIHMIZPEKIO-UHFFFAOYSA-N 307.354 1.189 0 40 DDAB Cc1cnn(C[C@H]2CCCN2Cc2nnc(C3CC3)n2C)c1 70040712 IXLMTXUGQNWJOX-CQSZACIVSA-N 300.410 1.862 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)C[C@@H](C)O1 13073701 WDMONYUVESKOBB-RKDXNWHRSA-N 317.338 1.322 0 40 DDAB CC(C)CN(CC(N)=O)Cc1ccn(-c2cccc(F)c2)n1 69444539 KPLCDKKPBSGZHR-UHFFFAOYSA-N 304.369 1.955 0 40 DDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)NC1CCCCCC1 17104504 UNGSWTISRYVSKK-SNVBAGLBSA-N 306.366 1.443 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 27793814 UPXRHPYHCRZMIK-ZYHUDNBSSA-N 315.366 1.286 0 40 DDAB COc1c(CNCc2ccc(C(=O)N(C)C)cc2)c(C)nn1C 65494347 FOOHHHHOUKTFMZ-UHFFFAOYSA-N 316.405 1.729 0 40 DDAB CC(C)NC(=O)CNC(=O)Cc1csc(-c2ccccn2)n1 14095781 FGEPQLACLZRAPK-UHFFFAOYSA-N 318.402 1.388 0 40 DDAB COc1ccc(NC(=O)NCCCN2CCOCC2)cc1OC 65564091 IKWNBIMFIHZVBS-UHFFFAOYSA-N 323.393 1.548 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCc1ccc3c(c1)OCO3)C2 69516379 DMUGPWSCPMPRDC-UHFFFAOYSA-N 314.345 1.290 0 40 DDAB CC1CCN([C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 14162711 VMPVYEIMFORJHH-AWEZNQCLSA-N 316.357 1.749 0 40 DDAB O=C(C1CCOCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69665213 QDDBOCKXPRRFDO-KRWDZBQOSA-N 318.417 1.291 0 40 DDAB COC(=O)c1ccc(OC)cc1OCC(=O)NCC(F)(F)F 5473604 UCXIYFDKBNCRGS-UHFFFAOYSA-N 321.251 1.539 0 40 DDAB CC(C)CN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 8755418 LKOULVAMBFDLBD-AWEZNQCLSA-N 303.337 1.932 0 40 DDAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCc2ccccc21 6664699 AQFQPHKDGFUCGQ-UHFFFAOYSA-N 307.309 1.419 0 40 DDAB O=C1c2c(O)cc(O)cc2O[C@H](c2c(O)cccc2O)[C@H]1O 14643339 NBQYBZYBTNQEQG-LSDHHAIUSA-N 304.254 1.186 0 40 DDAB biogenic,in-vitro CCOCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 4815732 SLNAWYFKOFXQHL-UHFFFAOYSA-N 309.318 1.625 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccco2)cc1 5825497 DYGFLUWGMAXEDL-UHFFFAOYSA-N 322.386 1.502 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976080 JTUJWOYQCJABGH-AWEZNQCLSA-N 322.380 1.369 0 40 DDAB COc1ccnc(N[C@@H]2CCCN(c3ccc(C)nn3)C2)n1 69842878 CQWLJHOYLXTHDD-GFCCVEGCSA-N 300.366 1.665 0 40 DDAB C=CCOc1ccc(/C=C/C(=O)NNC(=O)C2CC2)cc1OC 15525053 TXRHHJOVYMDJFF-WEVVVXLNSA-N 316.357 1.831 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 7923285 TYDSNWNFVYDVEC-UHFFFAOYSA-N 312.325 1.842 0 40 DDAB O=C(Cn1nnc(COc2ccccc2)n1)NC1CCCC1 7951263 CYHCRHGGOHQBCI-UHFFFAOYSA-N 301.350 1.311 0 40 DDAB COCCc1cc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)n(C)n1 92930138 DANHHLHEIXFENT-GXTWGEPZSA-N 321.425 1.309 0 40 DDAB Cc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1Cl 96013258 KKCJWLXXTYTHJH-UHFFFAOYSA-N 305.725 1.520 0 40 DDAB Cc1ccoc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 72533853 FCMPBVVSWWWYJO-CQSZACIVSA-N 320.389 1.832 0 40 DDAB Cc1nc(CNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)no1 96412417 XXKZBEAQAFSCLI-SNVBAGLBSA-N 308.382 1.469 0 40 DDAB Cc1cnc(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)cn1 71863515 ILGAKSYEAVVANT-UHFFFAOYSA-N 312.377 1.600 0 40 DDAB c1ncn(C[C@H]2CCCCN2Cc2nc(-c3ccoc3)no2)n1 71876466 CUELAIBKHPXESG-CYBMUJFWSA-N 314.349 1.976 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCc1ccsc1 71875691 MDUOYWXOYFXZBI-OAHLLOKOSA-N 318.446 1.768 0 40 DDAB CCCNC(=O)CCCC(=O)OCC(=O)N1CCCCCC1 71920431 UYXMSHNBLHSHIE-UHFFFAOYSA-N 312.410 1.629 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)NC2CCCCCC2)n1 71922262 UYORMXMWLITPGZ-UHFFFAOYSA-N 307.398 1.864 0 40 DDAB Cn1ccnc1[C@H]1CCCN1C(=O)CCNC(=O)OC(C)(C)C 95456705 FJIVYFDWJUYVIW-GFCCVEGCSA-N 322.409 1.998 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccoc1C 69347424 ORTYHLOLQGPTKI-UHFFFAOYSA-N 304.394 1.756 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1nccs1 72268573 CCMRIPWQQQQCEM-OLZOCXBDSA-N 322.434 1.557 0 40 DDAB Cc1ccccc1OC[C@H](O)Cn1nnnc1-c1ccccn1 72294897 RBAVIKBDGQAQGF-CYBMUJFWSA-N 311.345 1.483 0 40 DDAB O=C(CCc1ccccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72268939 YQYDADMVZMNLIX-DLBZAZTESA-N 320.408 1.816 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N1CCOC[C@@H]1C(=O)O 88373528 MTOFMOFACVSPPG-LLVKDONJSA-N 313.737 1.203 0 40 DDAB CCn1nc(C)c(CNC(=O)[C@H]2Cc3ccccc3CN2)c1C 95971108 NOIZNIGJGVOBHK-QGZVFWFLSA-N 312.417 1.851 0 40 DDAB O=C(C[C@@H]1COCCN1C(=O)c1ccon1)c1ccccc1 95965417 SCYUKCCLPHPJBQ-CYBMUJFWSA-N 300.314 1.789 0 40 DDAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C)c1 95954483 YDIVMAWAJNJGFB-MRXNPFEDSA-N 313.401 1.288 0 40 DDAB CC(C)OC(=O)C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1ccccc1 95971664 ZPANXBHZNWLSIM-RHSMWYFYSA-N 322.380 1.887 0 40 DDAB CN1CCOC[C@H]1C(=O)NCC1(c2ccccc2)CCCC1 95983137 MNFAYDOTWQUENJ-INIZCTEOSA-N 302.418 1.945 0 40 DDAB NC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 67298295 XWCVBTIEKQJGFK-JZJYNLBNSA-N 323.308 1.569 0 40 DDAB CN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 72242315 GLQVIOBGABSKSX-UKRRQHHQSA-N 306.337 1.204 0 40 DDAB CCOC1CC2(CCN(C(=O)N[C@H]3CC[S@](=O)C3)C2)C1 557714625 VKNRYACDRJEOFP-BKWBIIIFSA-N 300.424 1.108 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1C(=O)CSCC(N)=O 79320850 DHKXYZVQELDPSQ-ZDUSSCGKSA-N 322.430 1.447 0 40 DDAB C[C@H](C(=O)O)N(C)C(=O)CCCN1C(=O)CCc2ccccc21 521365998 LCLGSJUUGJWEOM-GFCCVEGCSA-N 318.373 1.678 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2cc(Cl)ccc2[nH]1 32759839 YJVLFGAJQDEMTN-JTQLQIEISA-N 312.778 1.738 0 40 DDAB CCO[C@@H]1C[C@](O)(CNC2CCC(NC(C)=O)CC2)C1(C)C 189427054 UQSKFKYRAQUISP-BOXZVXIZSA-N 312.454 1.589 0 40 DDAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN(C)C)n1 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CCCNC(=O)[C@H](C)NC(=O)c1ccc(N2CCCC2=O)cc1 7627691 RQQLXMHKDWUNHM-LBPRGKRZSA-N 317.389 1.458 0 40 DDAB CC(=O)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 9009496 ALNQFMJKIUYVPS-VXGBXAGGSA-N 310.400 1.543 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1OCC 8049452 AMWIGGPHKBGOOK-UHFFFAOYSA-N 315.391 1.505 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nccs1)C2=O 8131222 CWKHFUYATDIXAB-YMTOWFKASA-N 322.390 1.582 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2ncnn21 9319987 VTCVDLYLWLXTOA-VIFPVBQESA-N 321.724 1.462 0 40 DDAB COc1cc(NC2=CC(=O)N(C(C)=O)C2)cc(OC)c1OC 96336075 LMNHUEBENUVBIB-UHFFFAOYSA-N 306.318 1.397 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)cn1 71797006 PDQYLWYVNQCNSS-CQSZACIVSA-N 323.356 1.634 0 40 DDAB Cc1cc(F)c(S(=O)(=O)NC(C)(C)C(=O)N(C)C)cc1F 96475480 CXUNFRYHTFOLIF-UHFFFAOYSA-N 320.361 1.418 0 40 DDAB Cc1cc(C)n(C2CN(C[C@H](O)COCc3ccco3)C2)n1 71880800 ANWLSVBPQXPZNF-HNNXBMFYSA-N 305.378 1.527 0 40 DDAB Cc1oc(-c2ccsc2)nc1CN1CCN(CCO)CC1 71855390 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Cn1cnc2c1CCN(CC(=O)NCCC1=CCCCC1)C2 72267665 ISJNOFNYMHTKPF-UHFFFAOYSA-N 302.422 1.785 0 40 DDAB CC(C)[C@@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCCCC1 72273712 RUQBTRQUVJVNLH-HOCLYGCPSA-N 304.438 1.825 0 40 DDAB C[C@@H]1CN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCO1 72277862 UCUAGUKNBLZLFZ-HUUCEWRRSA-N 305.422 1.937 0 40 DDAB C[C@H](NCCCn1cccn1)c1ccc(NS(C)(=O)=O)cc1 95419816 MSFSWPBPPCZYAD-ZDUSSCGKSA-N 322.434 1.996 0 40 DDAB O=C(Nc1ccnn1CC1CC1)c1ccccc1-n1cnnn1 95418724 FJLNIJSZYCZMMH-UHFFFAOYSA-N 309.333 1.521 0 40 DDAB O=c1[nH]c(NC[C@H](O)COc2ccccc2)nc2ccccc12 97995048 XXUWZXODQFWAPK-LBPRGKRZSA-N 311.341 1.775 0 40 DDAB O=C(Cc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 62191688 RPTXJQGYXKEEAT-UHFFFAOYSA-N 316.401 1.327 0 40 DDAB CCCCS(=O)(=O)NCCn1c(=O)c(C)nc2ccccc21 95943755 AAQRIKDUMQYDAL-UHFFFAOYSA-N 323.418 1.424 0 40 DDAB CC(C)OC(=O)C[C@H](NC(=O)[C@@]1(F)CCNC1)c1ccccc1 95971663 ZPANXBHZNWLSIM-WMLDXEAASA-N 322.380 1.887 0 40 DDAB CC(C)COc1cncc(N2CCN(C(C)(C)CO)CC2)n1 86184181 FNUJHFUNJMLTOR-UHFFFAOYSA-N 308.426 1.404 0 40 DDAB Cc1nc2ccccc2nc1N[C@H]1CCCN(S(C)(=O)=O)C1 89556227 MLFJITJPEVPOCD-LBPRGKRZSA-N 320.418 1.774 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)nn1 75137838 CAMPLCQXASWFIK-UHFFFAOYSA-N 305.647 1.984 0 40 DDAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CC[C@H](O)C1 89851224 BRPYZAUUKGEOJU-ZDUSSCGKSA-N 308.341 1.603 0 40 DDAB O=C(CNCCN1CCOCC1)Nc1cccc2ccccc12 35311496 PRNKRSQIFQRGQV-UHFFFAOYSA-N 313.401 1.700 0 40 DDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409221332 OPYHVUXYPNUPDF-XYOKQWHBSA-N 304.302 1.453 0 40 DDAB CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(F)cc1 39985535 UOHZJCSLGQJZEP-UHFFFAOYSA-N 316.398 1.609 0 40 DDAB O=C(COc1cc(C(=O)O)cc(C(=O)O)c1)NC1CCCCC1 217725532 KAPHXRZZLWXVNF-UHFFFAOYSA-N 321.329 1.911 0 40 DDAB COc1cncc(N2CCN(c3ccc(Cl)cn3)CC2)n1 78664319 LICCBTRCNDGGQZ-UHFFFAOYSA-N 305.769 1.860 0 40 DDAB Nc1nccc([C@H]2CCCN(C(=O)[C@H](N)c3ccccc3)C2)n1 72355908 PWKMXJUPFPRKKA-DZGCQCFKSA-N 311.389 1.465 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc21 74936300 HRQQWFHQOIFGGE-UHFFFAOYSA-N 310.375 1.263 0 40 DDAB CCc1cc(=O)[nH]c(-c2ccc(NC[C@@H]3CCOC3)nc2)n1 78772505 RWEBLWVQXWABTN-NSHDSACASA-N 300.362 1.843 0 40 DDAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@@H](O)C1 32902702 ULFWDDHQDQHHLE-UONOGXRCSA-N 302.374 1.561 0 40 DDAB Cc1cc(Nc2ccccn2)nc([C@H]2CCN(C(=O)CO)C2)n1 72382578 XKGMLMHJFWHLKR-LBPRGKRZSA-N 313.361 1.232 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218447115 GWSINPKOOKHISK-MELADBBJSA-N 317.838 1.832 0 40 DDAB O=C(NCCCn1ccnc1)c1ccnc(O[C@@H]2CCOC2)c1 184723620 IBFFFYHJZGQKMF-CQSZACIVSA-N 316.361 1.266 0 40 DDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217463893 FXSVZIPHDXOLCJ-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB NC(=O)CN1CCC[C@H]1c1nccnc1Nc1nccs1 72367859 DQJMRDPCEJDLFB-VIFPVBQESA-N 304.379 1.299 0 40 DDAB CCc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1 211099814 OMPJHINUEDDAQL-UHFFFAOYSA-N 320.418 1.584 0 40 DDAB CC1=NNC(=O)[C@@H]1CCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 523694379 NTUZNCALISJXIU-GMTAPVOTSA-N 319.327 1.983 0 40 DDAB COC[C@H](C)NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225758004 VYCJHXOMSZXVPN-ZDUSSCGKSA-N 302.374 1.769 0 40 DDAB COc1cccc(COCC(=O)N2CCC[C@H]2c2ncon2)c1 568778079 BERFISZGGHOZGQ-AWEZNQCLSA-N 317.345 1.959 0 40 DDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2cc[nH]c2C)C1 574777273 YAFJLSLDJHBGSC-YPMHNXCESA-N 315.377 1.921 0 40 DDAB O=C(c1cnccn1)N1CC(c2nc(Cc3ccccc3)no2)C1 75156407 ZQBDHYGPQYUGBS-UHFFFAOYSA-N 321.340 1.690 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCC2 44896719 PVXHWLIOBVUXCZ-JTQLQIEISA-N 303.366 1.639 0 40 DDAB O=C(COc1ccn(-c2ccccc2)n1)NC[C@H]1CCCO1 226853488 KHTKOLRJHPNEGZ-CQSZACIVSA-N 301.346 1.546 0 40 DDAB Oc1ncnc2c(N3CCOC[C@@H](C4CCC4)C3)nccc12 572781500 QUCHZTMUHZDJOC-LBPRGKRZSA-N 300.362 1.983 0 40 DDAB O=S(=O)(NCc1ccncc1OCC(F)(F)F)C1CC1 225587532 XFWPEZOJNVVRCR-UHFFFAOYSA-N 310.297 1.605 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 96161406 LDTXCWFBHKPOFB-QAPCUYQASA-N 322.368 1.223 0 40 DDAB CC(C)NC(=O)CNC(=O)N1CC[C@@H](Cc2ccccc2)C1 96437525 QMKLHUMEMBMAPF-HNNXBMFYSA-N 303.406 1.785 0 40 DDAB COCCNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 96041211 JYTBIWHZNYSFHO-RRFJBIMHSA-N 308.378 1.022 0 40 DDAB O=C1CCCN1[C@H]1CCCN(c2cc(NCC3CC3)ncn2)C1 95442057 JHQQKQLSAQPOQU-AWEZNQCLSA-N 315.421 1.890 0 40 DDAB Cc1occc1CNC(=O)N1CCN(Cc2ccon2)CC1 96439376 JZGLVRRHDFZZJV-UHFFFAOYSA-N 304.350 1.603 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@@H]3C2)no1 96042888 BUELEZMUPWKKNE-AEGPPILISA-N 307.394 1.487 0 40 DDAB CN1CCN(S(=O)(=O)c2cccc(F)c2)Cc2cccnc21 96198812 UZHWYEGLXSCRGX-UHFFFAOYSA-N 321.377 1.861 0 40 DDAB Cc1cc(S(=O)(=O)N(C)c2ccccc2C(N)=O)c(C)o1 95463577 FYGGFLXCLBCXEU-UHFFFAOYSA-N 308.359 1.820 0 40 DDAB Cc1cnc(N2CCC[C@]3(CO[C@@H](C(=O)N(C)C)C3)C2)nc1 96093327 CKMMCRFKHZFKJD-CZUORRHYSA-N 304.394 1.249 0 40 DDAB CC(C)N1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 96076243 WPTSUELBQZMRJY-DOTOQJQBSA-N 310.438 1.515 0 40 DDAB CC(C)Nc1ncnc2c1CCN(C(=O)[C@H]1CCCO1)CC2 96255547 JHPZSYDXQZPAIB-CQSZACIVSA-N 304.394 1.403 0 40 DDAB CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCCN[C@@H]1C 333244815 FMIZRMPATLBRAE-KBXIAJHMSA-N 320.437 1.627 0 40 DDAB Cc1cc(C)n(C[C@@H](C)NC(=O)NC[C@@](C)(O)c2ccco2)n1 96439320 PSGYCOUEHCCVOR-MLGOLLRUSA-N 320.393 1.688 0 40 DDAB O=C(OCCn1cncn1)c1c[nH]nc1-c1ccc(F)cc1 97380188 RFSCRNABMFSTJA-UHFFFAOYSA-N 301.281 1.664 0 40 DDAB O=C(Nc1c(F)cccc1F)C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 252497821 QRHWJFFEWKVIBD-YVNDNENWSA-N 324.327 1.427 0 40 DDAB Cc1nccn1CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 252551076 TYFKWWCOJKVVCS-AWEZNQCLSA-N 316.361 1.184 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cnccn3)CC2)o1 43720091 GLCGUGJHEBOVHW-CYBMUJFWSA-N 315.377 1.971 0 40 DDAB COc1ccc(OCC(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1 257205446 AZCBQKSPZPQKMB-OAHLLOKOSA-N 317.345 1.397 0 40 DDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C 257333607 YCGMOCWIDGDUAO-OAHLLOKOSA-N 303.406 1.101 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccccc1CC(=O)O 275296150 PZJCRZBFNCFPCR-UHFFFAOYSA-N 324.358 1.397 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)NC2CCCCC2)CC1 43980440 NSRCXJGDWRREKI-UHFFFAOYSA-N 317.455 1.290 0 40 DDAB CSc1ccc([C@H](O)CNS(=O)(=O)c2cccnc2)cc1 96103184 VBOOEPHNRBXGLM-CQSZACIVSA-N 324.427 1.815 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1Cc1ccc(C(=O)O)cc1 585278918 WVSIABYNBCYKAH-QGZVFWFLSA-N 320.389 1.502 0 40 DDAB CCCCN1C(=O)C(=O)N(CC(=O)c2cccc(OC)c2)C1=O 44865568 MKPZMLFSSAUDBC-UHFFFAOYSA-N 318.329 1.469 0 40 DDAB O=C(CCCN1CCOC1=O)NCc1nc2ccccc2[nH]1 57191995 VESPJHVKIWKXPF-UHFFFAOYSA-N 302.334 1.412 0 40 DDAB C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 94345719 APEVGEIMINCIOT-MWLCHTKSSA-N 322.352 1.982 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1C 96025294 HRNAAPLIYIZWRY-CYBMUJFWSA-N 317.432 1.111 0 40 DDAB C[C@@H](Cc1ccccc1F)NCCN1CCCS1(=O)=O 188177193 BSRVZFJFJTZVEL-LBPRGKRZSA-N 300.399 1.382 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC(N2CCCC2)C1 1259354225 PFBNSCRONNZCIN-UHFFFAOYSA-N 308.403 1.090 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C(=O)O)c1ccccc1 11755511 DOFPXTVUJKXFOD-LLVKDONJSA-N 310.331 1.396 0 40 DDAB O=C(CNc1ccc(SC(F)F)cc1)N1CCNC1=O 12527166 ONXQPBWUIITQDJ-UHFFFAOYSA-N 301.318 1.965 0 40 DDAB Cn1c(NC(=O)Nc2cccc3ccccc23)cc(=O)n(C)c1=O 19015511 OQZPQRXHOOCQAF-UHFFFAOYSA-N 324.340 1.881 0 40 DDAB Cc1nonc1CNC(=O)c1cc(-c2cnn(C)c2C)on1 19559219 NPBMPENUGVBVJO-UHFFFAOYSA-N 302.294 1.005 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169619909 MFXRVNBWYHSTOY-PMXAPFLYSA-N 309.321 1.942 0 40 DDAB O=C(c1ccc(F)cc1Cl)N1CC(N2C(=O)CCC2=O)C1 206953324 MIUSACUTURAIFP-UHFFFAOYSA-N 310.712 1.453 0 40 DDAB CCn1c(S[C@@H](C)C(=O)OC)nc2c(c1=O)S[C@H](C)C2 250314 DYKNZIPFCUGFRI-SFYZADRCSA-N 314.432 1.954 0 40 DDAB CC(C)CNC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCC3 17113240 DFKYLPAXZWFUDC-SNVBAGLBSA-N 307.419 1.541 0 40 DDAB Cn1c(=O)n(CCC(=O)OCC(=O)C(C)(C)C)c2ccccc21 21732488 ICOIOPJUJWKUIN-UHFFFAOYSA-N 318.373 1.889 0 40 DDAB O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC2(CC1)OCCO2 13321005 MYYRWUZHEGZZRY-HOAMVYINSA-N 323.389 1.489 0 40 DDAB CNC(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)CC1 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Cc1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nn1 96074046 YCLZWOIEZKFLIT-KRWDZBQOSA-N 324.388 1.599 0 40 DDAB Cc1nnc(N2CCOC[C@]3(CCCN(CC4CC4)C3)C2)o1 96049701 QTXKHDAKXHIFEX-INIZCTEOSA-N 306.410 1.707 0 40 DDAB CC(C)N1C[C@@H]2C[C@@H](CC(=O)NCCN3CCCC3)O[C@@H]2C1 96215599 GCJHLBHVYOAPIL-HRCADAONSA-N 309.454 1.086 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccon3)OCC(=O)N2C)cc1 96181551 QGJJLNUFCPGEHR-CABCVRRESA-N 315.329 1.520 0 40 DDAB CN1CC[C@]2(COCCN(S(=O)(=O)Cc3ccccc3)C2)C1 96201934 JYCFMMWXKPLMSA-INIZCTEOSA-N 324.446 1.171 0 40 DDAB C1CN(C[C@@H]2CCOC2)Cc2c(COCC3CC3)nnn2C1 96256079 UNHZKNSMVLBQDK-AWEZNQCLSA-N 306.410 1.447 0 40 DDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCN(c3cnccn3)C2)C1 248008806 BINWJBBLNDUILP-BBRMVZONSA-N 312.377 1.141 0 40 DDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCC1 247843313 GFKMFXMFEFFBLI-MRXNPFEDSA-N 318.421 1.289 0 40 DDAB CC(C)(C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 244529091 ZRZDYKLGSXORKA-UHFFFAOYSA-N 302.371 1.506 0 40 DDAB CNc1nc([C@]2(C)CCCN(C(=O)COC)C2)cn2cccc12 257255128 KGEWTZQXNZSKIO-QGZVFWFLSA-N 316.405 1.903 0 40 DDAB CN(C)Cc1cnc([C@H]2CN(Cc3cscn3)CCO2)[nH]1 257235836 GZTHFIZVVKLLCC-CYBMUJFWSA-N 307.423 1.501 0 40 DDAB NC(=O)c1cc(C[C@H]2CCCN(c3ccncn3)CC2)ncn1 257283395 OYCUGHNKUBYJAU-LBPRGKRZSA-N 312.377 1.215 0 40 DDAB COCC(=O)N1CCC[C@@](CCCc2cccnc2)(C(N)=O)C1 257222149 DSCYOGYYJPSCDQ-QGZVFWFLSA-N 319.405 1.145 0 40 DDAB O=C(CCOc1ccccc1)N1CC[C@@](O)(CN2CCCC2)C1 257288266 PTOJKQJZNZVHDX-GOSISDBHSA-N 318.417 1.515 0 40 DDAB CCC(CC)C(=O)N1CCC(N2C(=O)[C@H]3CCCN3C2=O)CC1 253433251 UMNIPZHKYBBYHB-CQSZACIVSA-N 321.421 1.840 0 40 DDAB Cc1cc(N)nc([C@]2(C)CCCN2C(=O)c2cnn(C)c2)n1 257203660 ARAPFYLBKDHTCS-HNNXBMFYSA-N 300.366 1.252 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 257337872 YUUHWASHIOVNIM-CQSZACIVSA-N 312.373 1.799 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)cn1 257330121 XMYAOBQSGJBKPI-CQSZACIVSA-N 313.361 1.049 0 40 DDAB Cc1cccnc1CN1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257210494 BUXMAKFUNLWIJZ-GFCCVEGCSA-N 320.418 1.506 0 40 DDAB CO[C@H]1CCN(C(=O)Cc2c(C)noc2C)C[C@@]12CCCO2 257328999 XHYONYLNFDLXRY-HOCLYGCPSA-N 308.378 1.630 0 40 DDAB COc1ccc(C(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)cn1 257261695 LILCYHZRYNQJBC-CYBMUJFWSA-N 316.361 1.346 0 40 DDAB C[C@H](NS(C)(=O)=O)c1nc([C@@H](C)c2cccs2)no1 273750731 BBMZHNFAEBYUNA-YUMQZZPRSA-N 301.393 1.893 0 40 DDAB Cc1ccc(CN(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 575420435 IACLIMNWCBWFQB-MRXNPFEDSA-N 310.463 1.546 0 40 DDAB O=C([C@@H]1CCCS1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093712 AAUBQWHHLFRLLV-KBPBESRZSA-N 310.463 1.187 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2C(=O)C2(F)CCC2)N1c1cccnc1 585108122 QOOLMCMUEMLPMC-OLZOCXBDSA-N 303.337 1.680 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1 585141804 GDEZICNMOBFQIQ-VHSXEESVSA-N 312.382 1.256 0 40 DDAB O=C(NC[C@@H]1COCCO1)Nc1ccc2c(c1)OC(F)(F)O2 56574655 MHINQHFVVPATDN-SECBINFHSA-N 316.260 1.545 0 40 DDAB O=C([C@H]1CCCN(c2ccc(Cl)cn2)C1)N1CCOCC1 78628360 ADEUQRBRPPIQJL-LBPRGKRZSA-N 309.797 1.810 0 40 DDAB O=C1NC(=O)/C(=C/c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)N1 5771045 HLFSYQNQTGBXPE-WDZFZDKYSA-N 323.264 1.011 0 40 DDAB O=C(NCCc1nc(-c2cccnc2)n[nH]1)NCc1ccccc1 13565325 ANUWNTHNSMINLW-UHFFFAOYSA-N 322.372 1.909 0 40 DDAB CC(C)(C)c1cc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)no1 17031281 RCFXHBNMRGDHCO-FCMYFTRRSA-N 306.318 1.565 0 40 DDAB c1cnc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCO2)cn1 19403764 QVBPPVGOMKEQAH-AWEZNQCLSA-N 313.361 1.622 0 40 DDAB COc1cc(NC(=S)NC(C)=O)c(Cl)cc1C(=O)O 226354238 VZSITEGRSICSHC-UHFFFAOYSA-N 302.739 1.880 0 40 DDAB COc1ccnc(N2C[C@@H]3CN(Cc4cc(C)on4)C[C@H]3C2)n1 1888843376 GPMGBKAJYRLFBD-STQMWFEESA-N 315.377 1.350 0 40 DDAB COc1cc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2=O)ccn1 1776008030 UBYBSCATMAOUIA-CYBMUJFWSA-N 315.373 1.622 0 40 DDAB Nc1nc(SCC(=O)N2CCOCC2)nc2sccc12 32841097 YOFFSLWEAKMYSX-UHFFFAOYSA-N 310.404 1.224 0 40 DDAB Cn1cnc(C(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)c1 2056223341 GTUDFQAZFIYQOV-HOTGVXAUSA-N 318.421 1.136 0 40 DDAB COCCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 4359964 SCFLKGXYILGFMH-CYBMUJFWSA-N 305.378 1.436 0 40 DDAB CC(C)CCN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 9317370 VTIOCFSAQILVQY-OAHLLOKOSA-N 315.373 1.889 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3nccn3C)C[C@H]2C[C@@H]1O 2332242660 GPDXJLMVXNVZLJ-FZKCQIBNSA-N 315.421 1.369 0 40 DDAB O=C(c1cccc(Br)c1)N1CC(Cn2cncn2)C1 952965203 UUEZGJNMMJNGDC-UHFFFAOYSA-N 321.178 1.813 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1 32748010 ROPYCHZEOYUSMS-NSHDSACASA-N 319.386 1.481 0 40 DDAB COc1ccc2cc(C(=O)N[C@@H]3C[C@H](O)[C@@H](CO)C3)[nH]c2c1 107287400 XICDKRNFKQVDSP-ZETOZRRWSA-N 304.346 1.038 0 40 DDAB COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1 40308977 WFMGVPWIIITLOX-OAHLLOKOSA-N 314.345 1.240 0 40 DDAB biogenic O=C(N[C@H]1CCCCNC1=O)c1cc(Cl)c2c(c1)OCO2 40521482 UCZASLKNIXTJBH-JTQLQIEISA-N 310.737 1.467 0 40 DDAB O=C(CCN1Cc2ccccc2C1=O)N=c1[nH]c2ccccc2[nH]1 20723593 XDXVXYIDCLROMI-UHFFFAOYSA-N 320.352 1.969 0 40 DDAB Cc1nnnn1-c1ccccc1C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101715839 NWCMLLDVWZZELZ-MELADBBJSA-N 309.373 1.913 0 40 DDAB Cc1cc(N(CCO)CCO)nc(NCc2ccccc2)n1 378400 DEIMEKBYGIPZOG-UHFFFAOYSA-N 302.378 1.188 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 41131852 OIFJPTALWFWAAE-LBPRGKRZSA-N 304.365 1.971 0 40 DDAB O=C1NCCN1C1CCN(c2ncnc3sccc23)CC1 52486867 XCXJYLRPTBJSAN-UHFFFAOYSA-N 303.391 1.685 0 40 DDAB NC(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 60366585 QMKFVJHTKZBWOB-NSHDSACASA-N 304.325 1.540 0 40 DDAB CCS[C@H]1CC[C@H](N(C)CCC(=O)N2CCOCC2)C1 76089708 QPSCRXOPLVKEDU-KBPBESRZSA-N 300.468 1.841 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1F 2787577 PYZNCNILKCZNFT-UHFFFAOYSA-N 311.320 1.796 0 40 DDAB CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3[nH]c1=O)C2=O 79191706 CRUIZHFQCHXNST-UHFFFAOYSA-N 323.396 1.753 0 40 DDAB biogenic COc1ccc(-c2nnc3sc(NC(C)=O)nn23)cc1OC 6818042 JVDHXXGHEGTLEM-UHFFFAOYSA-N 319.346 1.828 0 40 DDAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)N(C)C 7584568 BJJZUUIJZFPWKN-JTQLQIEISA-N 321.406 1.548 0 40 DDAB NC(=O)CC1CCN(C(=O)NCCOc2cccc(F)c2)CC1 46939124 WTSFQHZEZSLYKP-UHFFFAOYSA-N 323.368 1.502 0 40 DDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1C 53674170 UYCLGBBKEQHILL-UHFFFAOYSA-N 303.355 1.708 0 40 DDAB C[C@H](Cn1ccnc1)NCc1ccc(-n2cncn2)c(F)c1 42229470 SQMHWLORVYHWHH-GFCCVEGCSA-N 300.341 1.781 0 40 DDAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)[nH]n1 54059168 WAVNGSHLLMBTMR-UHFFFAOYSA-N 306.410 1.483 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)c2c(C)noc2n1 97197741 KIOUYDHZOFTENM-NSHDSACASA-N 311.345 1.781 0 40 DDAB C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)[C@@H]1CCCO1 23196538 SPVATIGUPWSSFL-RISCZKNCSA-N 301.346 1.080 0 40 DDAB COc1cc(CCNC(=O)N2CC[C@H]([C@@H](C)O)C2)ccc1F 97108120 GKIMTDMVQVJUDZ-YPMHNXCESA-N 310.369 1.789 0 40 DDAB COC(=O)[C@@H]1CCCCN1C(=O)c1cc(OC)cc(OC)c1 42647404 WWBJYNNPRNAMCC-AWEZNQCLSA-N 307.346 1.872 0 40 DDAB N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 34467228 VJMVTCXTMYDGPK-LJQANCHMSA-N 323.440 1.901 0 40 DDAB CCOC(=O)C(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1 100407709 URXCNLSJKURIJZ-UHFFFAOYSA-N 310.302 1.417 0 40 DDAB COc1ccccc1CC(=O)OCC(=O)NCc1ccco1 12574785 IPZWQDRRMZVQBI-UHFFFAOYSA-N 303.314 1.690 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25112313 FVMVGCHXMXYOJT-UHFFFAOYSA-N 320.780 1.986 0 40 DDAB CCCN(CCC)C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525526 JGPNIAKPGBVIHN-UHFFFAOYSA-N 317.389 1.349 0 40 DDAB C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)n1N)C(N)=O 3326080 LYFOBQVCSCRAOR-UWVGGRQHSA-N 305.407 1.304 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1 100307557 FFPRYSXUVZEAQK-MBIARJLFSA-N 308.337 1.385 0 40 DDAB CN(C)C(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3cnn(C)c3)C2)C1 107244590 PIALDQWYQDQAQP-GDBMZVCRSA-N 323.416 1.338 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3ccsc3)CC2)n1 44889461 JKXAIPYTONEGFM-UHFFFAOYSA-N 318.446 1.906 0 40 DDAB COc1ccc(NC(=O)C(=O)NCc2ccccc2OC)cn1 44901333 NNNFSAOZNPRGCF-UHFFFAOYSA-N 315.329 1.354 0 40 DDAB Cc1nnc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)s1 44971844 OGLCXUZCMZRQEQ-JTQLQIEISA-N 319.394 1.427 0 40 DDAB C[C@@H]1CCCCN1CCNS(=O)(=O)c1ncn(C)c1Cl 44937468 SSRYZJUPKWCQMP-SNVBAGLBSA-N 320.846 1.226 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCNS(C)(=O)=O)o1 44916480 AYQIPVLGDVZBMQ-JQWIXIFHSA-N 314.407 1.301 0 40 DDAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCNC(=O)[C@@H]2C)c1 58342709 JBAGXZJAVPXUET-WDEREUQCSA-N 310.781 1.763 0 40 DDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 28202250 UAEXZFFDRSKFGW-CQSZACIVSA-N 304.390 1.809 0 40 DDAB C[C@H](NC(=O)c1cnccn1)c1ccc(S(C)(=O)=O)cc1 10967805 QKAWRTXHCHWCGF-JTQLQIEISA-N 305.359 1.371 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnnn2C)cc1 3513029 QOVKCCYRQYKBGQ-VIFPVBQESA-N 305.363 1.532 0 40 DDAB COc1cc(OC)cc(C(=O)OC2CCC(C(N)=O)CC2)c1 83920070 UGGQVOQIKQRRIT-UHFFFAOYSA-N 307.346 1.905 0 40 DDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H]1CO 63512540 ICSCKJOAOKTAGS-QWHCGFSZSA-N 317.389 1.207 0 40 DDAB O=C(Cc1c(F)cccc1Cl)NCC(=O)Nc1cn[nH]c1 63533067 HMKAZDGPOKMFOS-UHFFFAOYSA-N 310.716 1.500 0 40 DDAB O=C(OCCN1CCOC1=O)c1ccccc1N1CCOCC1 64196915 KOHWUJLXCIJYSX-UHFFFAOYSA-N 320.345 1.132 0 40 DDAB CCc1ccc(OCC(=O)N2CCn3c(C)nnc3C2)cc1 71186399 BFIXXPSTVJALPO-UHFFFAOYSA-N 300.362 1.570 0 40 DDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408587362 BPMLSHPNKIYUAF-SNVBAGLBSA-N 314.407 1.277 0 40 DDAB O=C(COCC(=O)N1CCCCCC1)NCc1cccs1 9196137 HIABQSMPJCHQNN-UHFFFAOYSA-N 310.419 1.784 0 40 DDAB COCCNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 4433274 IDZPAQRKCOLVNW-UHFFFAOYSA-N 319.361 1.831 0 40 DDAB O=C(CNC(=O)c1ccccc1)OCC(=O)c1cccs1 4454670 QMYHVOMBCURSSH-UHFFFAOYSA-N 303.339 1.904 0 40 DDAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)CNC2=O)cc1 14235834 VVRGKLVMTIUOHG-LBPRGKRZSA-N 306.362 1.276 0 40 DDAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccc(F)c1 6638249 JGPJTRJQGCGLPY-UHFFFAOYSA-N 315.348 1.995 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccccc2)c1 14851053 ZFXKQBPYHCYJOL-UHFFFAOYSA-N 320.414 1.927 0 40 DDAB NC(=O)[C@@H]1CCCN(c2nc(-c3ccncc3)nc3c2CCC3)C1 66796513 BRNVYCUJUGEFED-CYBMUJFWSA-N 323.400 1.729 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1Cl 66902131 LTYZCFCOQHTREK-YPUOHESYSA-N 314.794 1.590 0 40 DDAB Cc1noc(C)c1CNC(=O)N1CCN(c2ncccn2)CC1 67760214 XLVMOGCWPKXDTM-UHFFFAOYSA-N 316.365 1.113 0 40 DDAB CCN(CC)CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 67732748 HHIFAQSUAGLVDM-NSHDSACASA-N 301.456 1.144 0 40 DDAB CCN(CCNC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)C1CC1 96439883 HXRVUOLFNPYPHL-VHRNVKJDSA-N 308.470 1.785 0 40 DDAB CCC(=O)N1CCCN(C(=O)c2cccc3cn[nH]c23)CC1 69570169 WHTARSAPXYIUED-UHFFFAOYSA-N 300.362 1.647 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1cc(C)nc2ncnn12 69982029 ZYLKNHVUUZONNY-KBPBESRZSA-N 314.393 1.412 0 40 DDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(Cl)ccn1 71903692 SAFCCVZFAZSBEP-VIFPVBQESA-N 304.799 1.630 0 40 DDAB CC(C)OCC[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 72275572 YLHPQOFFBIGZAM-ZDUSSCGKSA-N 307.394 1.590 0 40 DDAB O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1nccs1 95472086 KHCACJNTAVSANW-UHFFFAOYSA-N 316.342 1.553 0 40 DDAB CC(C)Cc1nnc(NC(=O)CN(C)Cc2cnn(C)c2)s1 95424166 OGYHGVDODQYTRM-UHFFFAOYSA-N 322.438 1.541 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n1 95991320 YDJBBFWBZFRVET-YAJUMTOWSA-N 321.421 1.938 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@@H](C(=O)O)C1 95960556 MUIVIHXZXVPNHW-SNVBAGLBSA-N 315.320 1.761 0 40 DDAB CC(C)c1ccc([C@@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 110713828 SZWPEPLKHKFZJR-CJNGLKHVSA-N 315.417 1.514 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCNCCSCC2)cc1 68604675 IIWAOXFPGAGMLO-UHFFFAOYSA-N 314.476 1.712 0 40 DDAB CCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408597222 UFSCDGGDXGKPPM-LLVKDONJSA-N 314.407 1.278 0 40 DDAB CCc1ccc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)s1 36390787 XKDKQJKRCIPUDZ-UHFFFAOYSA-N 305.403 1.870 0 40 DDAB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)no1 38677908 DSBJCOZSQVTJKM-UHFFFAOYSA-N 301.302 1.700 0 40 DDAB C[C@H](c1ccc(O)cc1)n1ccc2c(cnc3ncnn32)c1=O 38784294 GSQATTCZIXGBOB-SNVBAGLBSA-N 307.313 1.754 0 40 DDAB O=C(OCCn1cccn1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 70010282 RHPQJSCZDUESLD-AWEZNQCLSA-N 321.283 1.898 0 40 DDAB O=S(=O)(c1cncc(Br)c1O)N1CCCCC1 72210885 PWDUHSGFRFECQW-UHFFFAOYSA-N 321.196 1.724 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2ccc3ncccc3c2)C1 72368736 OAZCFKPZLMYPNK-CQSZACIVSA-N 319.430 1.906 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1 72237948 SOHCPFHSNJIRPP-JKSUJKDBSA-N 302.374 1.644 0 40 DDAB CC(C)c1cc(=O)n(CC(=O)NCCOc2ccccc2)cn1 38510105 YXKGCKFLADFMSI-UHFFFAOYSA-N 315.373 1.562 0 40 DDAB Cn1cc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cn1 32854763 WCPRFSQZEKSXGN-UHFFFAOYSA-N 321.764 1.817 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)c3nnc4ccccc4n3)C2)n1 40714737 BBUPAIBBJFHGQX-LLVKDONJSA-N 324.344 1.736 0 40 DDAB Cc1n[nH]c(C(=O)N2CCN(C)C[C@H]2C)c1Br 89502511 NIZQRJBBSJFYCK-SSDOTTSWSA-N 301.188 1.257 0 40 DDAB COc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1F 44869187 MJWXESNZSKQICV-CYBMUJFWSA-N 301.339 1.141 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)Cc3cccs3)C2)nn1 225435062 VPJVAWCECHRLGP-LLVKDONJSA-N 319.386 1.769 0 40 DDAB CCOC[C@@H]1CN(c2ncc(F)cn2)Cc2cn(CC)nc21 96198087 XEYWSVGNBSLJFF-LBPRGKRZSA-N 305.357 1.972 0 40 DDAB O=C(c1cocn1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108860 UAKJNRROKSGXEB-WBMJQRKESA-N 315.329 1.237 0 40 DDAB O=C(C1CCOCC1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108742 IEPCESDWTSPSAM-NVXWUHKLSA-N 309.406 1.315 0 40 DDAB Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1cccnc1)C2 96060719 JRJSZPLOPCUBKZ-HNNXBMFYSA-N 313.405 1.736 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(Cc1ccc(F)cc1)CC2 96208619 AXJNUJZNUOGIAN-HNNXBMFYSA-N 306.381 1.800 0 40 DDAB Cc1cc(COC(=O)c2cnn(C)c2)ccc1N1CCOCC1 95446111 OXPHWXFROFOUIN-UHFFFAOYSA-N 315.373 1.922 0 40 DDAB CCc1cc(CNC(=O)NCC[S@](=O)c2ccccc2)on1 96421585 CTBOYXBBJOREAJ-JOCHJYFZSA-N 321.402 1.844 0 40 DDAB COCCN1CCOC[C@]2(CCCN(Cc3ccoc3)C2)C1 96049457 DDTSJKFJBRKERG-QGZVFWFLSA-N 308.422 1.840 0 40 DDAB CC(C)C(=O)N1CCC[C@@]2(CN(Cc3cnn(C)c3)CCO2)C1 96049128 RGSNEUDCKGKWNG-QGZVFWFLSA-N 320.437 1.270 0 40 DDAB O=C1c2ccccc2C(=O)N1CS(=O)(=O)c1ccccc1 96305897 GKMRXAXGVCNNAD-UHFFFAOYSA-N 301.323 1.714 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2cc(C)on2)OCCO)cc1 96337544 IWIUAMGKMSOZHR-OAHLLOKOSA-N 304.346 1.771 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CC2)[C@H]1Cc1ccccc1 96200825 BGDNSXSJCLONOO-CABCVRRESA-N 322.430 1.158 0 40 DDAB CN1CCN([C@H]2COC3(CCN(c4nccs4)CC3)C2)CC1 96074170 RQJBKNKZXOBIFD-CQSZACIVSA-N 322.478 1.518 0 40 DDAB CCn1nc(C)c(CNS(=O)(=O)CC[C@@H]2CCCO2)c1C 96472567 PSYZVSUDOVEYDY-ZDUSSCGKSA-N 315.439 1.508 0 40 DDAB Cn1cccc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 248153521 VAMRSVNUIDCKTB-ZBFHGGJFSA-N 324.384 1.436 0 40 DDAB O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCOCC1 245230274 ONHUITOWOIOJSB-WMHQRMGPSA-N 318.417 1.342 0 40 DDAB CO[C@@H]1CCN(c2ccc(C(=O)N3Cc4cncnc4C3)cc2)C1 252498360 QZPIQIMOOMXOMV-MRXNPFEDSA-N 324.384 1.858 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cncc(-c3ccnn3C)n2)C1 257206086 BBUCBJNFJSRVMK-GFCCVEGCSA-N 315.377 1.230 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257225055 FEPKIRIEJVBKSK-HNNXBMFYSA-N 315.377 1.362 0 40 DDAB C[C@@]12CCN(C(=O)CN3CCCCCC3=O)[C@@H]1CC[C@@H](O)C2 257266392 MCVBQCULYJVSLU-CPUCHLNUSA-N 308.422 1.541 0 40 DDAB Cn1ccnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)c1=O 253420523 DMXMUGRYHFAMGJ-INIZCTEOSA-N 319.792 1.618 0 40 DDAB CCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 253454620 SEJPYLLKFFCBHB-UHFFFAOYSA-N 304.799 1.632 0 40 DDAB O=C(c1ccc[nH]1)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 253370665 UMSBTQWJDWUKJV-UMVBOHGHSA-N 317.389 1.257 0 40 DDAB COCCC(=O)N1CCO[C@H](c2cccc(-c3cc[nH]n3)n2)C1 257279873 OINBWHJLQVIELR-HNNXBMFYSA-N 316.361 1.408 0 40 DDAB O=C(c1ncccn1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257332664 XYEYDCFKXPMOFX-FRRDWIJNSA-N 310.361 1.229 0 40 DDAB Cc1nc(O)cc([C@H]2CN(Cc3ccncc3C)CCO2)n1 257253958 KBABUFOKBPRNNB-OAHLLOKOSA-N 300.362 1.768 0 40 DDAB CCCCC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575405414 SIFJRHISXGHBAX-CQSZACIVSA-N 320.393 1.511 0 40 DDAB O=C(c1cn[nH]c1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575414539 AOJVLZCLNJSCSA-CQSZACIVSA-N 319.386 1.412 0 40 DDAB COC(C)(C)C(=O)N1CCOC[C@@](O)(COc2ccccc2)C1 585268995 GVENIZWNBRAVMU-QGZVFWFLSA-N 323.389 1.080 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1O 585278647 POKQWAVZIROUIB-SKDRFNHKSA-N 314.744 1.048 0 40 DDAB COc1ccc(CCNC(=O)NCc2nnc3n2CCC3)cc1 55078312 URPCPTIADSKJFZ-UHFFFAOYSA-N 315.377 1.275 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)[nH]n2)nc1 69773165 GDMGJYGTWLJITJ-UHFFFAOYSA-N 313.361 1.701 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)[C@H]2CC=CCC2)CC1 69849471 HSQZESYRIPLTQV-HNNXBMFYSA-N 302.422 1.811 0 40 DDAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)NCCn1cccn1 70004977 XRMAUVPMEXUMPO-CHWSQXEVSA-N 304.398 1.667 0 40 DDAB CC(=O)c1c(C)cc(C)c(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1C 95965853 IZOIKTRYINMMPX-MLGOLLRUSA-N 318.417 1.889 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 96119984 GEOXFAPEZGBCGK-GFCCVEGCSA-N 316.810 1.669 0 40 DDAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CN1CCCC1=O)C2 97199263 MSLHUPFTWOLLJW-LBPRGKRZSA-N 318.421 1.234 0 40 DDAB CC1(C)C[C@H](NC[C@@H]2CCN(S(C)(=O)=O)C2)C(C)(C)O1 90796743 PUGSNVKAHJAZRE-RYUDHWBXSA-N 304.456 1.204 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1cc(C(F)(F)F)ccc1C=O 169995054 CSDPBWANAMXNRX-UHFFFAOYSA-N 318.100 1.772 0 40 DDAB COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCC(=O)O 6440548 PFXBRUFBRSYXTK-UXBLZVDNSA-N 323.326 1.825 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C 568407554 BUXDUYQUCMVWBE-OAHLLOKOSA-N 323.824 1.680 0 40 DDAB O=C(CNC(=O)c1ccco1)NCc1ccc2c(c1)OCCO2 9364941 VCVUFYGHWXJPAH-UHFFFAOYSA-N 316.313 1.097 0 40 DDAB O=C([C@@H]1CN(c2nnc(C3CC3)s2)CCO1)N1CCCCC1 1888850380 HKCJFOGHIJZYRP-LBPRGKRZSA-N 322.434 1.633 0 40 DDAB O=C([C@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCCC1 1889130545 CTFLWBPGRWXTOM-OAHLLOKOSA-N 312.373 1.457 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@H](NC3CCCC3)CS2)C1 2056223641 XMEBXIWQHMQSRU-AWEZNQCLSA-N 318.446 1.709 0 40 DDAB O=C(C1=COCC1)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056224225 MISUBFWJYAEBMM-AWEZNQCLSA-N 308.447 1.863 0 40 DDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(C)n1 12443967 ODVNZGWKVMHJKU-UHFFFAOYSA-N 322.390 1.231 0 40 DDAB Cc1cc(N)n(-c2nc(O)c3cnn(-c4ccccc4)c3n2)n1 26421883 RDWVGUYMWFBMAK-UHFFFAOYSA-N 307.317 1.597 0 40 DDAB Cn1nccc1C[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 1516395139 KOEZPQRPJILCQH-AWEZNQCLSA-N 323.404 1.947 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1 672163198 LGRYFWDSPQOWLS-VIFPVBQESA-N 323.340 1.618 0 40 DDAB CCOC(=O)c1c(SCc2ccccn2)nc(=O)[nH]c1C 4317621 ZGULQRMLHBQDFH-UHFFFAOYSA-N 305.359 1.942 0 40 DDAB COc1cc(CN(C)C(=O)c2cnccn2)cc(OC)c1OC 19626927 YFXLGGABXFQQEG-UHFFFAOYSA-N 317.345 1.775 0 40 DDAB biogenic,in-vitro CN(CC(=O)NC(C)(C)C)C(=O)C1CCN(C(=O)C2CC2)CC1 40489399 GOLSLMNKCPZWJA-UHFFFAOYSA-N 323.437 1.008 0 40 DDAB CCCc1nnc(NC(=O)N2CCC[C@@H](NC(C)=O)C2)s1 40554515 MPNFVJYDLBJCNB-SNVBAGLBSA-N 311.411 1.623 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H](C)CN1CCOCC1 40528177 YRNREMQGPQQDDI-LBPRGKRZSA-N 316.398 1.133 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1C1OCCO1 60348850 MREAUFLOQLVIEY-ZDUSSCGKSA-N 315.366 1.742 0 40 DDAB O=c1n(Cc2nnsc2Cl)nnn1-c1cccs1 29975053 NDPFKVMKFQYIPH-UHFFFAOYSA-N 300.756 1.044 0 40 DDAB Cc1noc(C)c1CSc1ncccc1C(=O)OCC(N)=O 60597902 PUSHMOPDMVILNC-UHFFFAOYSA-N 321.358 1.621 0 40 DDAB CCN1C[C@H](COC(=O)c2c(C)nn(CC)c2Cl)CC1=O 76090471 CPGLKZVUHQAGKC-SNVBAGLBSA-N 313.785 1.890 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccccc2)C1 76969198 BCWYZXOWXISRMN-OCCSQVGLSA-N 308.403 1.134 0 40 DDAB CCc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)sc1C 22095054 LJMLURWWZYOXPE-UHFFFAOYSA-N 321.402 1.433 0 40 DDAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CCC[C@@H](O)C1 69628900 XXOGXAUSQNTKQN-MRXNPFEDSA-N 314.389 1.581 0 40 DDAB C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 7656479 LJOFCSUEARNRGW-LBPRGKRZSA-N 310.419 1.809 0 40 DDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(C/C=C/c4ccccc4)C(=O)[C@H]13)O2 101245299 NNUJCNWGCDEOES-LEKMHKFSSA-N 311.337 1.566 0 40 DDAB C[C@@H](NC(=O)Nc1cn[nH]c1)c1ccc2c(c1)NC(=O)CO2 46974835 GLAKZBMDHFIISX-MRVPVSSYSA-N 301.306 1.623 0 40 DDAB Cc1noc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 104292621 ITHMNJNRZOAEFD-CYBMUJFWSA-N 314.345 1.043 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1cn(C)nc1C(F)(F)F 54000358 NMWNIZDCCZCZGT-SECBINFHSA-N 304.316 1.653 0 40 DDAB CC(C)(CNS(=O)(=O)c1cccs1)N1CCOCC1 23640805 LDZUWKMBNNKLNY-UHFFFAOYSA-N 304.437 1.137 0 40 DDAB Nc1nccnc1C(=O)N1CCN(c2ccccc2F)CC1 12527265 BZMWCBIIAWAZJC-UHFFFAOYSA-N 301.325 1.160 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(O)c1 42236509 MMRCUQTXCJPWCK-UHFFFAOYSA-N 317.345 1.504 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](C)N1CCOCC1 24682278 BMCCPAUIJBJFOK-LBPRGKRZSA-N 316.398 1.133 0 40 DDAB Cc1ccccc1CS(=O)(=O)N[C@@H]1CCc2ncnn2C1 113298354 OMLYRVAFVDJOLM-CYBMUJFWSA-N 306.391 1.021 0 40 DDAB COc1ccc(CNc2c(NCc3ccccn3)c(=O)c2=O)cc1 101696962 YPTPPDKITGWSTC-UHFFFAOYSA-N 323.352 1.910 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCc2ccccc2C1 102303574 XEZFFERJUYWIDH-XQLPTFJDSA-N 301.342 1.450 0 40 DDAB CC[C@@H]1CN(Cc2nnsc2Cl)CCN1C[C@H](C)O 106929200 OXTNGJGAXVHSEI-VHSXEESVSA-N 304.847 1.469 0 40 DDAB CNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F 43522918 AKZHMGQUJXLCJG-UHFFFAOYSA-N 301.228 1.049 0 40 DDAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COC2CCCCC2)C1 27533959 ODCLSMNDBFQLNF-LSDHHAIUSA-N 313.438 1.972 0 40 DDAB CC[C@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 108373428 ACIDUQILQXCSBI-BYCMXARLSA-N 312.435 1.942 0 40 DDAB COc1cccc(N2CCN(C(=O)NCc3cc[nH]n3)CC2)c1 48265195 CPMJOWXLTUADKZ-UHFFFAOYSA-N 315.377 1.450 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccnc1 48236321 ONUZFUZQPWHULA-JSGCOSHPSA-N 313.357 1.901 0 40 DDAB NC[C@@H](c1cccc(Br)c1)N1CC[C@H](C(=O)O)C1 35622900 CGOPLTJIKFGKLC-JQWIXIFHSA-N 313.195 1.855 0 40 DDAB O=C(Cn1cnnn1)N(Cc1ccco1)Cc1cccs1 3349177 FOZKGUULHURPKE-UHFFFAOYSA-N 303.347 1.557 0 40 DDAB CCN1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)CC1 27974443 ZWEPDCVXMHOLJU-LBPRGKRZSA-N 306.362 1.347 0 40 DDAB COc1ncccc1NC(=O)N1CCC[C@@H](N2CCNC2=O)C1 58134405 DQBLEURFLXIVTM-LLVKDONJSA-N 319.365 1.112 0 40 DDAB CC(C)[C@@H](C(=O)NCCc1ccccn1)N1C[C@H](C)O[C@H](C)C1 58249203 IBGHTTJARCMCDO-UXLLHSPISA-N 319.449 1.874 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc2c(c1)OCO2 2103332 IGVNEPFJSFFLHT-LBPRGKRZSA-N 322.361 1.802 0 40 DDAB biogenic C[C@@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccncc1 44908256 BUMDUJJRVODZRQ-UKRRQHHQSA-N 311.389 1.965 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NCCc1ccc2c(c1)OCO2 44908653 KLZARSWRKBDWDD-UHFFFAOYSA-N 316.361 1.533 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc2c(c1)OCCO2 58393494 SGBXFTRBTICONP-UHFFFAOYSA-N 316.405 1.856 0 40 DDAB O=C(COCCOc1ccccc1)N[C@@H]1CCN(C2CC2)C1 58370230 ZYOVQWRGHZXDPF-CQSZACIVSA-N 304.390 1.435 0 40 DDAB CN1CCN(c2cc(CNC(=O)c3cccs3)ccn2)CC1 48329874 WHOLXRBCDBHDND-UHFFFAOYSA-N 316.430 1.825 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(N)=O)C2)n1 48332638 DXYGZMUBXUDLMR-FZMZJTMJSA-N 321.425 1.043 0 40 DDAB O[C@@H](CNc1ccc2nncn2n1)COc1cccc(F)c1 48353781 RQXBKERMAOURGB-NSHDSACASA-N 303.297 1.115 0 40 DDAB Cc1cc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)s1 48342148 IESJUNBOBZZWRX-SNVBAGLBSA-N 323.461 1.173 0 40 DDAB O=c1cc(Cn2nnc(-c3cccc(F)c3)n2)nc2ccccn12 11506361 XOGTUMDUNABIBB-UHFFFAOYSA-N 322.303 1.535 0 40 DDAB CCOC(=O)C1CCN(S(=O)(=O)Cc2cc(C)on2)CC1 36817841 BCTPCYQTXNMHDT-UHFFFAOYSA-N 316.379 1.088 0 40 DDAB CCN(CC)C(=O)CSCC(=O)NCc1ccc(OC)cc1 3419581 FTJOYKNRNUFSNV-UHFFFAOYSA-N 324.446 1.913 0 40 DDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3426286 UINIDKRHCGXIIL-UHFFFAOYSA-N 322.430 1.794 0 40 DDAB Cc1ccc(-n2nc(CO)c(C(=O)NCc3ccccn3)n2)cc1 8613396 AABFYZQNRNFYNF-UHFFFAOYSA-N 323.356 1.393 0 40 DDAB CCc1noc([C@H](C)N2CCN(Cc3cnc(C)cn3)CC2)n1 69877319 DPNSEWNJCDHAGK-ZDUSSCGKSA-N 316.409 1.609 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)Nc1cccnc1 69902544 FSFVZGHOGLMSOZ-HZPDHXFCSA-N 316.405 1.495 0 40 DDAB CC1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 65440026 KJSBELMHTOUQRN-UHFFFAOYSA-N 311.407 1.276 0 40 DDAB CN(C)c1ccc(CCNC(=O)NC2CCC(O)CC2)cc1 65538899 QDPRHMNPQDKUBM-UHFFFAOYSA-N 305.422 1.898 0 40 DDAB COCCNC(=O)c1cc(F)ccc1I 65587285 MTBWYXMIYWPBOK-UHFFFAOYSA-N 323.105 1.807 0 40 DDAB O=C(CN1CCC(c2ccnn2CCO)CC1)N1CCCCC1 65514472 RVBPLBFFDRXJAY-UHFFFAOYSA-N 320.437 1.067 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1F 14109425 WPVUOFWXBIZZDI-MRXNPFEDSA-N 319.336 1.793 0 40 DDAB CCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 22273604 XUEBAOGNJNIXSB-UHFFFAOYSA-N 304.799 1.551 0 40 DDAB O=C([C@H]1CCCCN1C(=O)C1CCCCC1)N1CCOCC1 66485916 QALRVXOAIWKXAO-OAHLLOKOSA-N 308.422 1.807 0 40 DDAB Cc1cc(C)c2c(NC(=O)C(=O)NCc3ccccn3)n[nH]c2n1 9059659 HNQMQOUTSPGYMB-UHFFFAOYSA-N 324.344 1.225 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCOC2=O)CC1=O 66993608 UVNAZEQTWYESDH-STQMWFEESA-N 316.357 1.034 0 40 DDAB c1ccc(CN2CCc3c(ncnc3N3CCOCC3)C2)cc1 21987935 OJNCSMJSOIQRSJ-UHFFFAOYSA-N 310.401 1.872 0 40 DDAB Cc1cc(C)nc(NC2=NS(=O)(=O)c3ccccc3N2C)n1 5926332 NZPGWAHETNVNFS-UHFFFAOYSA-N 317.374 1.700 0 40 DDAB CCn1cc(NC(=O)C2CCN(C(=O)[C@@H](C)SC)CC2)cn1 67282738 RLADACAMXJSLBP-LLVKDONJSA-N 324.450 1.832 0 40 DDAB Cc1noc(C)c1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 67756678 ASQZQVQNZWEGAZ-LSDHHAIUSA-N 301.346 1.749 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 7308567 AVVMSZQMBHQWJI-UHFFFAOYSA-N 318.398 1.693 0 40 DDAB CCc1noc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n1 81097810 XUJHXQMKVXKXPW-QWRGUYRKSA-N 301.412 1.420 0 40 DDAB O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)NCC1CCC1 96006439 UIKRSYYZJNBCIF-UHFFFAOYSA-N 322.311 1.677 0 40 DDAB O=C(C[C@@H]1SC(NC2CC2)=NC1=O)NCc1ccccc1 8039991 XIEPMYGTNYSMNX-LBPRGKRZSA-N 303.387 1.443 0 40 DDAB Cn1cc(N2CCN(C[C@H](O)CCc3ccccc3)CC2)cn1 96013743 VJHNCXXROWJJOG-GOSISDBHSA-N 314.433 1.536 0 40 DDAB Cc1cnn(CCN[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 70005015 XLDHHENVBYQAAB-LBPRGKRZSA-N 304.398 1.159 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3nnc(C)n3c2)c1 70038845 BPXRYEHFYDKJFE-HNNXBMFYSA-N 324.388 1.847 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1 16978412 BJJSTRNBNGZFOM-UHFFFAOYSA-N 309.347 1.398 0 40 DDAB CN(C)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 19797501 INZNYZRWDIBERJ-SDQBBNPISA-N 306.343 1.971 0 40 DDAB CCc1noc([C@@H](C)N2CCN(C[C@@H]3CCCCO3)CC2)n1 69436318 MZLLLRUEFIBFJN-KGLIPLIRSA-N 308.426 1.880 0 40 DDAB COCC(=O)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 69417385 DDUNAOYNXKRHNS-UHFFFAOYSA-N 314.389 1.163 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1Cn1cccn1 71866489 HDFAZZMZORQTGA-ZDUSSCGKSA-N 323.356 1.196 0 40 DDAB O=C(/C=C/c1cccnc1)NCc1ccc(-c2nnn[nH]2)cc1 71896256 GSZPJYKAOGEWSP-VMPITWQZSA-N 306.329 1.591 0 40 DDAB C[S@](=O)c1nncn1Cc1coc(-c2ccc(F)cc2)n1 71804154 HRYHBONGNHIYLX-OAQYLSRUSA-N 306.322 1.858 0 40 DDAB CCC(=O)N[C@@](Nc1cccc(C)n1)(C(=O)OC)C(F)(F)F 19998214 KOBSDOKGKQIHLX-LBPRGKRZSA-N 319.283 1.760 0 40 DDAB CC(C)(C)OC(=O)N1CCc2c(nnn2CC2CC2)[C@@H]1CO 306129667 IJESHFQMVXOEGB-LBPRGKRZSA-N 308.382 1.515 0 40 DDAB CO[C@H]1CNC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1F 94599853 OHFQVVHBTREXQE-UWVGGRQHSA-N 306.259 1.561 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H](c2ccn[nH]2)C1)C1CCCC1 72282722 MCKWUQJOTPJITJ-HOCLYGCPSA-N 318.421 1.811 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](n2cncn2)C1 72272357 IEUAUIAZEVKISE-SWLSCSKDSA-N 314.345 1.282 0 40 DDAB Cc1ccc2oc(C(=O)N3CCS(=O)(=O)C[C@H]3C)cc2n1 95399745 JSTVNAXJVFXBKI-SNVBAGLBSA-N 308.359 1.395 0 40 DDAB CCN(Cc1ccoc1)c1ccc(S(=O)(=O)N(C)C)cn1 95408824 HIDBVTNJPSQHRO-UHFFFAOYSA-N 309.391 1.951 0 40 DDAB CC[C@@H](C(=O)Nc1cnn(-c2ccccn2)c1)N1CCCC1=O 73908010 WKSLQWXMHQMHJE-ZDUSSCGKSA-N 313.361 1.607 0 40 DDAB O=S1(=O)CCCN1c1cc(N[C@H]2CCOC2)ccc1F 95976505 FUDLAIGGVLCWBN-NSHDSACASA-N 300.355 1.566 0 40 DDAB COc1cc(NC(=O)c2ccc[nH]c2=O)cc(OC)c1OC 9953896 BOXNNPYGWZZCCD-UHFFFAOYSA-N 304.302 1.653 0 40 DDAB O=C(O)C[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 74942036 ZCDXXFAQLUCRLZ-HNNXBMFYSA-N 307.302 1.575 0 40 DDAB in-vitro Cc1nc(C)n(C[C@H]2CN(CCc3ccccn3)CCO2)n1 75133055 YIOBKLIBVQKIJP-MRXNPFEDSA-N 301.394 1.233 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@](C)(O)c2ccccc2)C1 89929819 CWBVHNMQTCXUHH-HIFRSBDPSA-N 312.435 1.460 0 40 DDAB CCN(C[C@@H]1CN(Cc2cccnc2)CCO1)c1cccnn1 89969166 AVSQZYBTHQNLSN-INIZCTEOSA-N 313.405 1.599 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 89937955 OBKGBEHVEXHINL-GFCCVEGCSA-N 314.389 1.018 0 40 DDAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(C)C 67068628 RBZQWDXSZXSNQU-UHFFFAOYSA-N 319.405 1.677 0 40 DDAB CCN(CC)CCNS(=O)(=O)c1cc(Cl)ccc1OC 33829652 DFWPRNUWNYAGJU-UHFFFAOYSA-N 320.842 1.969 0 40 DDAB Nc1cc(CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)ccn1 521396167 UPRBIZOVDLWHQX-BETUJISGSA-N 319.311 1.966 0 40 DDAB CCN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 409238487 AKULXPPWDBVAEU-CSKARUKUSA-N 306.318 1.625 0 40 DDAB NCCN(Cc1ccccc1)C(=O)c1noc2c1COCC2 527597876 MMANQQXHCOFPOC-UHFFFAOYSA-N 301.346 1.348 0 40 DDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1cccnc1 536953913 LGFLSAWHYRTHHD-NWDGAFQWSA-N 310.350 1.571 0 40 DDAB CCOC(=O)[C@H]1CCCN(C[C@H](O)COC2CCCCC2)C1 35088699 ODCLSMNDBFQLNF-GJZGRUSLSA-N 313.438 1.972 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2cc(C(N)=O)ccc2Cl)[C@H]1C(=O)O 71287562 CFFJYCVUTYAVPH-ZJUUUORDSA-N 310.737 1.734 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)C(=O)O 218553151 UIKGRSJWKLGRHI-GMXVVIOVSA-N 317.794 1.270 0 40 DDAB Cc1nn(C)c2cn([C@H](C)C(=O)NC3CCSCC3)nc12 40715061 UAABGHXGZLNOKS-SNVBAGLBSA-N 307.423 1.651 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 72364474 RKMPWRKVQJLSJB-NSHDSACASA-N 309.395 1.020 0 40 DDAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCN1CCOCC1 222961812 FZFZABBXTJTHIS-MRXNPFEDSA-N 320.433 1.909 0 40 DDAB CC[C@@H](C(=O)O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 191415268 CGIPNNKLNKWTMQ-HIFRSBDPSA-N 304.390 1.992 0 40 DDAB CCOC1CC(CNCc2cncs2)(N2CCOCC2)C1 195459144 JDAXGHFIVWVDQB-UHFFFAOYSA-N 311.451 1.503 0 40 DDAB Cc1cnc(CCNC(=O)N2CCCO[C@@H](C(C)C)C2)nc1 574967350 AAXOHHBWPSITQC-CQSZACIVSA-N 306.410 1.784 0 40 DDAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 225478481 COZGRNVGLKAZTP-BDAKNGLRSA-N 322.352 1.852 0 40 DDAB CC(=O)N1CCC(NC(=O)COc2ccc(C)c(F)c2)CC1 193579303 ZUPPEJUUXVDFNU-UHFFFAOYSA-N 308.353 1.640 0 40 DDAB CCS(=O)(=O)c1ccccc1N1CCO[C@H](CN(C)C)C1 195576180 LAPCODVXGMYCOC-CYBMUJFWSA-N 312.435 1.247 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccccc2Cl)C1 96098120 IEIQURSISYMIMP-SECBINFHSA-N 302.783 1.991 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@H]1O2 96253073 QQHGNQKDPBQKHK-IXDOHACOSA-N 300.402 1.945 0 40 DDAB CCC[C@@H](NC(=O)Cn1ncn(C)c1=O)c1ccc(Cl)cc1 97233836 QYDXBIRELKRRMI-CYBMUJFWSA-N 322.796 1.893 0 40 DDAB CCN1CC[C@@H]2OC[C@H](C(=O)NCc3cnc(C)cn3)C[C@@H]2C1 96066032 MWRDOWOJBFSHQQ-FMKPAKJESA-N 318.421 1.148 0 40 DDAB CNS(=O)(=O)c1ccc([C@@H](C)NC[C@@H](C)SC)cc1 90725731 RLVCWTJPDATTSP-GHMZBOCLSA-N 302.465 1.997 0 40 DDAB CC(C)N(C)CCNC(=O)C(=O)Nc1cnc2ccccc2c1 96410745 WABUHGAIZABYHR-UHFFFAOYSA-N 314.389 1.630 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1c1cccc(F)c1C(C)=O 96455836 OTXVAVKJAZKEEN-NSHDSACASA-N 314.382 1.546 0 40 DDAB COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)n[nH]c1C 95472780 KBEPVUPGQIUASQ-LLVKDONJSA-N 318.329 1.890 0 40 DDAB COCCN1CCN(C(=O)c2cc(C)on2)Cc2cccnc21 96198861 ZCZWKXJJCMSJTA-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96072633 FXMJPEOGBTYNMF-DOTOQJQBSA-N 313.405 1.661 0 40 DDAB CCOC(=O)c1nn(-c2ccccn2)c(N)c1Br 95094638 OEYHCUDLVTVMTM-UHFFFAOYSA-N 311.139 1.789 0 40 DDAB Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccco2)cn1 96063919 GTCFDFVQRDGDOL-NEPJUHHUSA-N 300.318 1.033 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1Cc1cnn(C)c1 96200611 PMIQEDFDJWJMBR-GJZGRUSLSA-N 318.352 1.426 0 40 DDAB CC(C)n1cc(S(=O)(=O)NCC(C)(C)C[C@@H](C)O)cn1 96492613 UYUYTQSLPAHNGO-LLVKDONJSA-N 303.428 1.539 0 40 DDAB COC[C@H]1CN(C(=O)COc2ccccc2)Cc2c1cnn2C 96197900 PSCVETIIVUFXAM-CYBMUJFWSA-N 315.373 1.571 0 40 DDAB Cc1cnc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCCC3)C2)cn1 96227094 BNRMRTOHLZYYLP-DYVFJYSZSA-N 314.389 1.260 0 40 DDAB O=C(c1ccnnc1)N1CCC[C@]2(CCN(CC3CC3)C2=O)C1 96224212 DWQMNIMTCMPBSO-KRWDZBQOSA-N 314.389 1.341 0 40 DDAB O=C(NC[C@H]1COCc2nc3cccnc3n21)c1ccncc1 96112544 CFVDZMSAZKAGDV-LBPRGKRZSA-N 309.329 1.328 0 40 DDAB biogenic,in-vitro CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)c1 245338807 OPZPLOQPFFHYHD-MRVWCRGKSA-N 305.378 1.879 0 40 DDAB Cc1cccc(N2CCO[C@H](CCc3cc(O)ncn3)C2)n1 257269759 MRGTXEGCLLJPLQ-CQSZACIVSA-N 300.362 1.724 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257295370 QYARBRPBJHABGE-YRGRVCCFSA-N 304.350 1.372 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257337184 YRTRRWPHRDRLJL-AWEZNQCLSA-N 315.377 1.362 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2cnco2)n1 257278410 OCDNQENRSNEJFF-CYBMUJFWSA-N 301.350 1.504 0 40 DDAB CNc1ncc(C(=O)N2CCC[C@@H](c3cncc(C)n3)C2)cn1 257335007 YIHCWUZLPNXXAF-GFCCVEGCSA-N 312.377 1.637 0 40 DDAB Cc1nc(-c2cccs2)sc1CNC(=O)Cn1cnnn1 85470962 JHTJGXZNSNMJAE-UHFFFAOYSA-N 320.403 1.483 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 575406735 RLMCGKKLLVHLLP-HNNXBMFYSA-N 312.373 1.525 0 40 DDAB O=C(C1CCNCC1)N1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 585269552 YPOUHNMVNBPWSO-WBVHZDCISA-N 320.408 1.577 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 57003859 ODMYYTDNSOBOLD-GOEBONIOSA-N 313.357 1.548 0 40 DDAB C[C@H]1Cc2cc(CNC(=O)Nc3cc(=O)n(C)cn3)ccc2O1 931754881 DGHWUXYVTFEWBO-JTQLQIEISA-N 314.345 1.425 0 40 DDAB CN(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C1CC1 63117838 QSLMURLTKAQPMI-LBPRGKRZSA-N 319.380 1.389 0 40 DDAB COC(=O)CNC(=O)[C@H](C)OC(=O)c1sccc1C1CC1 64123725 FOJOJMBIWVULSK-QMMMGPOBSA-N 311.359 1.460 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCc1nc(-c2cccnc2)no1 89937974 BTSNDERNGOXUNL-LBPRGKRZSA-N 315.377 1.227 0 40 DDAB O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2cnsn2)C1 670944338 SBAZKKYGPBFKJO-LBPRGKRZSA-N 323.349 1.736 0 40 DDAB O=C(NCCCO)/C(=C/c1ccccc1)NC(=O)c1ccco1 2272304 ZYLNHBWTZUJAAH-OWBHPGMISA-N 314.341 1.549 0 40 DDAB COc1cc(C[C@@H]2CC(C(=O)O)=NO2)c(OC)c2c1OCO2 12418100 NGPHCSFRJLXORY-MRVPVSSYSA-N 309.274 1.205 0 40 DDAB CC(=O)N[C@@H](N1C[C@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 13551522 INQURHWBKQKKHZ-OOZYFLPDSA-N 303.617 1.928 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)c1ccccc1 153770927 IUGPMZGVUFZJKZ-GJZGRUSLSA-N 303.406 1.546 0 40 DDAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 225624169 CZBDTYZYOZUZMQ-AWEZNQCLSA-N 310.419 1.757 0 40 DDAB CC(C)(CO)NC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193576 SUWDRHCKJXCNLG-NSHDSACASA-N 309.341 1.001 0 40 DDAB O[C@@]1(COc2ccccc2)COCCN(Cc2cscn2)C1 643913852 JKSZRTKECKBGMR-MRXNPFEDSA-N 320.414 1.785 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Oc2ccncn2)C1 575604853 GDJWCJZGUXMZAU-CYBMUJFWSA-N 316.361 1.694 0 40 DDAB Cc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1F 1889128424 HVBXWGUOLXNOAC-UHFFFAOYSA-N 323.349 1.107 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 25405606 WLFBGLCZAQHKSY-LLVKDONJSA-N 319.386 1.481 0 40 DDAB Cc1ncnc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c1F 1776009806 RPYLCNCOKGVJAT-UHFFFAOYSA-N 318.356 1.507 0 40 DDAB Cc1nc2ccccn2c1C(=O)N1C[C@@H]2CN(C)CCO[C@@H]2C1 1614934740 MJILCMBJXFSJFY-UONOGXRCSA-N 314.389 1.045 0 40 DDAB Cc1cc(N2CCN(CC3(O)CCCC3)CC2)nc(N(C)C)n1 2087122916 YKGTWKODCZUEQD-UHFFFAOYSA-N 319.453 1.278 0 40 DDAB O=C(NCc1nnnn1-c1cccc(F)c1)c1ccccc1F 10593371 MQPJSPZFQCMJDM-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1F 44459116 GHGCOOHRPKJGFG-UHFFFAOYSA-N 317.320 1.533 0 40 DDAB NC(=O)c1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 5251038 LSLZYDIRXFCASP-UHFFFAOYSA-N 315.373 1.731 0 40 DDAB NC1(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CCCC1 37616466 JRJWPLKFGPRBIY-UHFFFAOYSA-N 309.753 1.881 0 40 DDAB COc1ccccc1CNC(=O)COc1c(C)occc1=O 40267722 QSDDWQFGZAYAHS-UHFFFAOYSA-N 303.314 1.652 0 40 DDAB COc1ccc(C(=O)NCCN2C(=O)CSC2=O)c(OC)c1 40554741 IIZOOPDLGMTXRZ-UHFFFAOYSA-N 324.358 1.129 0 40 DDAB CCS(=O)(=O)NCCCNC(=O)Nc1ccc(Cl)cc1 51233679 MSAMXQUERXEMNM-UHFFFAOYSA-N 319.814 1.791 0 40 DDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CCC(=O)O 32208441 CMFUSQSLUGYPMS-UHFFFAOYSA-N 307.755 1.444 0 40 DDAB CC1(C)NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 21549227 XSRZAAMNSJUMEA-UHFFFAOYSA-N 317.389 1.456 0 40 DDAB Cc1cc(C)n(C2CN(CC(=O)N3CCc4ccccc43)C2)n1 71880662 SZTJDRRNMJFWQI-UHFFFAOYSA-N 310.401 1.946 0 40 DDAB COc1ccc(-c2cc(CSc3nncn3N)on2)cc1 8709139 OYHIJINDSLWFAJ-UHFFFAOYSA-N 303.347 1.948 0 40 DDAB Cc1nc(CN2CCC(CNC(=O)[C@@H]3CCCO3)CC2)oc1C 78639305 LSKVBIJMEYNFAA-HNNXBMFYSA-N 321.421 1.799 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(CCc3ccccn3)CCO2)n1 78892904 RVRZTPKXRJBZMS-CQSZACIVSA-N 301.394 1.939 0 40 DDAB CC(C)CN(C)C(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103073995 MVTCZJGZUZOWON-UHFFFAOYSA-N 305.403 1.950 0 40 DDAB Cc1nn(CC(C)C)c(N(C)C)c1CNCCC(=O)NC(C)C 71851893 XTBWVEVHQDCPFW-UHFFFAOYSA-N 323.485 1.918 0 40 DDAB NC(=O)C1CCN(C(=O)NC[C@H]2COc3ccccc3C2)CC1 53491592 YZIGPTHDZFQONN-LBPRGKRZSA-N 317.389 1.145 0 40 DDAB Cc1nn(CC(F)F)c2c1c(C(F)F)cc(=O)n2CC(=O)O 12396365 DQKBABQJDAURMU-UHFFFAOYSA-N 321.230 1.794 0 40 DDAB C[C@H]1Cc2cc(C(=O)NC(C)(C)C)ccc2N1S(C)(=O)=O 10324004 YVSOZXNJILZPEX-JTQLQIEISA-N 310.419 1.926 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 71871177 UUSROVNEXHCUNB-CQSZACIVSA-N 320.408 1.772 0 40 DDAB O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCSCC1 54078971 FAWNHVPYOLGVTI-ZDUSSCGKSA-N 308.378 1.754 0 40 DDAB COCCc1noc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)n1 84111384 KQYVFXOCZPLOGV-GFCCVEGCSA-N 305.382 1.670 0 40 DDAB Cc1cc(C)n(CCOC(=O)c2ccc(NC(N)=O)cc2)n1 42777135 QIJINSSKNAQBMM-UHFFFAOYSA-N 302.334 1.848 0 40 DDAB COc1ccc(-n2nc(CSc3nnnn3C)cc2O)cc1 9939668 BJLYSDTXSDDWID-UHFFFAOYSA-N 318.362 1.402 0 40 DDAB O=C(c1ccncc1)N1CCN(C(=O)N2CCCCC2)CC1 24501547 CBNNCHUJGJWCIF-UHFFFAOYSA-N 302.378 1.445 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@H](C)n2ccnc2)n1 71870220 KSSWTQSLFLKMJW-LSDHHAIUSA-N 301.394 1.949 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(N2CCCC2=O)cc1 24804157 OEQIHTRXAHFJKG-CYBMUJFWSA-N 312.373 1.828 0 40 DDAB CC1=NN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2)CC1 55847667 RYOQLTZZRDPLDM-OAHLLOKOSA-N 303.362 1.418 0 40 DDAB Cc1cnn(C2CN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)c1 72253855 ZERUOJTVWPUCKM-ZDUSSCGKSA-N 316.409 1.426 0 40 DDAB C[C@H]1CN(C(=O)CNc2ccc(C(N)=O)c(Cl)c2)CCO1 25738199 GBGHXWRECZPINZ-VIFPVBQESA-N 311.769 1.098 0 40 DDAB Cc1cn2c(/C=C/C(=O)N[C@@H]3CCCNC3=O)c(C)nc2s1 84257703 IGUHALLUGNKPSS-MVIFTORASA-N 318.402 1.421 0 40 DDAB COCCN(CCOC)C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100867378 JVOOYPUZPHNMON-IAGOWNOFSA-N 311.422 1.893 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2nnc(C)s2)c1 71875857 XGPWQAYYAZINFC-LBPRGKRZSA-N 320.422 1.455 0 40 DDAB NC(=O)[C@H](NCc1ccccc1Cn1cncn1)c1ccccc1 27032606 DCKCHLFGXVWGLR-QGZVFWFLSA-N 321.384 1.643 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 58175469 NCVAUBMKFNWSEH-UKRRQHHQSA-N 318.373 1.551 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 48264485 FYHTWYFTDPIGIB-HZMBPMFUSA-N 324.331 1.583 0 40 DDAB CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 107206093 NDBYGEVHVIFSCT-STQMWFEESA-N 305.382 1.108 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCn1ccnc1 48289933 SDFQYLIEIAVJFQ-UHFFFAOYSA-N 303.410 1.711 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)NCCC(=O)N(C)C)cc1 58209245 CCLXGVOAYHUFME-NSHDSACASA-N 310.419 1.770 0 40 DDAB CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(F)c1 72292757 BFPGZRNPEGGQTL-UHFFFAOYSA-N 316.336 1.634 0 40 DDAB CNC(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1 44907163 VJOVWJVVYRGHDA-UHFFFAOYSA-N 316.430 1.825 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 44966458 CFQVEKRLHPRNBV-DZGCQCFKSA-N 317.389 1.820 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 58344175 ZYVPRQXDEAOAHV-CVEARBPZSA-N 316.401 1.895 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cnccn1 11007056 XSSGAULMUGXGMU-LLVKDONJSA-N 303.343 1.125 0 40 DDAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 48345244 CRLXGPSGXILKAC-ZFWWWQNUSA-N 318.373 1.470 0 40 DDAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCc2nccn2C1 97197338 DBMVMWBKLGLVSY-DZKIICNBSA-N 321.421 1.534 0 40 DDAB O=C1CN(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N1 12817601 MGNCFCTZELMQRU-UHFFFAOYSA-N 311.297 1.676 0 40 DDAB CC(C)Oc1ccccc1[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 48465072 FCUZYORTDBHZHR-JQWIXIFHSA-N 319.361 1.249 0 40 DDAB CCS(=O)(=O)N1c2ccc(C(=O)NC(C)C)cc2C[C@H]1C 20448833 IMXXHTVQFIKTNV-LLVKDONJSA-N 310.419 1.926 0 40 DDAB CN(CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 63118134 QPRGHELEOPFSLJ-HNNXBMFYSA-N 315.417 1.246 0 40 DDAB COCC(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12 306130076 IVVDKSCZFYBFEF-SQWLQELKSA-N 322.380 1.035 0 40 DDAB Cc1cccc(N2CCN(C(=O)CSCC(=O)O)CC2)c1C 13321128 SDZHFAIESAGFKH-UHFFFAOYSA-N 322.430 1.770 0 40 DDAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)c1c[nH]c2ccccc12 4334155 WHUGOCBAXKNJMQ-VIFPVBQESA-N 313.313 1.548 0 40 DDAB Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 4463847 KRDYUMRCDUIOFD-NSHDSACASA-N 318.329 1.901 0 40 DDAB Cc1csc(NC(=O)CCn2nnc3ccccc3c2=O)n1 9057997 UUWUCAXYBHBCLZ-UHFFFAOYSA-N 315.358 1.585 0 40 DDAB COCCN1CCN(c2ccc(Br)cn2)CC1 65552469 XQYIMDXNUIKBIY-UHFFFAOYSA-N 300.200 1.613 0 40 DDAB CCc1ccc(CN(C)C(=O)CSc2n[nH]c(N)n2)cc1 14137602 ZHGKXYALROGSHQ-UHFFFAOYSA-N 305.407 1.700 0 40 DDAB Cn1ncc2c(N3CCN(Cc4ccsc4)CC3)ncnc21 14272850 XRYLDWCLGYVIQW-UHFFFAOYSA-N 314.418 1.747 0 40 DDAB CCN1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 4930622 CZXDVLDIYPLPAX-UHFFFAOYSA-N 311.389 1.871 0 40 DDAB CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 67113307 FBXWHXYJVDFMJK-CQSZACIVSA-N 318.373 1.057 0 40 DDAB COC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccccc2)C1 67297790 DDCNXRQOEHNNHS-CABCVRRESA-N 317.389 1.930 0 40 DDAB Cc1cc(Br)ccc1NCC(=O)N1CCNC1=O 15332804 VXGHJGYNHRJHLS-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H](C)Cn2cncn2)sc1C 91040696 YKBPGWMGTRDYLQ-SECBINFHSA-N 300.409 1.323 0 40 DDAB O=C(Nc1ccc(F)cc1)C1CCN([C@H]2CCOC2=O)CC1 69351027 VBHOFOBYFNYPGS-AWEZNQCLSA-N 306.337 1.792 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)N1C[C@@H](C)C[C@H](C)C1 8394959 RNCIQIQTBVEBKB-RYUDHWBXSA-N 320.389 1.677 0 40 DDAB Cc1cc(Br)ccc1C(=O)N[C@@H]1CC(=O)N(C)C1 69456668 LGFUJQHGICTOKD-SNVBAGLBSA-N 311.179 1.718 0 40 DDAB CCCc1noc([C@H](C)NCC2CCN(C[C@@H](C)O)CC2)n1 69511757 JLGLUZNQQHBBIA-OLZOCXBDSA-N 310.442 1.766 0 40 DDAB O=C1CN(C(=O)COc2ccc(Cl)c3ccccc23)CCN1 17818550 HSZULINNWJDAEW-UHFFFAOYSA-N 318.760 1.830 0 40 DDAB CCOCCN1CCN(Cc2nc(C3CC3)no2)C[C@H]1CC 69840611 SWBIBBCDSTYLSC-CQSZACIVSA-N 308.426 1.880 0 40 DDAB Cn1cnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 92265877 CUFOKQYXCYGSIW-UHFFFAOYSA-N 308.407 1.591 0 40 DDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCn2ccnc2C1 97201342 LFKCAQRIQPYVTJ-LBPRGKRZSA-N 302.382 1.503 0 40 DDAB O=C(CCCNC(=O)[C@H]1C[C@@H]1c1ccco1)Nc1cn[nH]c1 97212458 UEMDZMBZOXTQMU-RYUDHWBXSA-N 302.334 1.641 0 40 DDAB CN(C)Cc1cc(C(=O)NC[C@H]2Cc3ccccc3O2)no1 95456817 CXQPIQIVMKZFSD-GFCCVEGCSA-N 301.346 1.470 0 40 DDAB CCCCCS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 95939926 UMYRWSKEQXQTDH-CQSZACIVSA-N 318.483 1.692 0 40 DDAB O=C(NCCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[C@H]1O 74261414 RNQQBLNFQJFESZ-LSDHHAIUSA-N 304.390 1.624 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c(=O)[nH]1 75122796 FJIGKAQUOXVNPT-MBNYWOFBSA-N 305.422 1.780 0 40 DDAB Cc1nnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)s1 89736456 UKSVEOMJXOHKNT-HUUCEWRRSA-N 316.430 1.936 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408588145 CQOFUEXWQCEELZ-GHMZBOCLSA-N 314.407 1.277 0 40 DDAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccco2)cc1 20152407 VGWBIAAWLXAVAH-UHFFFAOYSA-N 304.327 1.782 0 40 DDAB CN(Cc1ncc[nH]1)C(=O)c1cccn(Cc2ccccc2)c1=O 517683212 VXJWSQWWTRDFAN-UHFFFAOYSA-N 322.368 1.892 0 40 DDAB Nc1nc(N)nc(NC[C@H](Cc2ccccc2)c2ccccn2)n1 1559303498 ALFXKPUPGFXWBT-ZDUSSCGKSA-N 321.388 1.869 0 40 DDAB O=C(NCCCO)c1ccn(COc2ccc(F)cc2F)n1 32647952 XPKDCTJGKBOTJF-UHFFFAOYSA-N 311.288 1.310 0 40 DDAB O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2COC3)CN1c1ccc(F)cc1 75166526 YMZSNMIZDCJLHY-TUKIKUTGSA-N 318.348 1.568 0 40 DDAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 36569376 FNVFCHRVHWCDGX-MRXNPFEDSA-N 311.385 1.947 0 40 DDAB CCN(CC)C[C@H](O)CN(C)S(=O)(=O)c1ccc(C)cc1 31903752 DRIURGNDEJEHDS-CQSZACIVSA-N 314.451 1.318 0 40 DDAB O=S(=O)(NCc1nc(-c2ccco2)n[nH]1)c1ccccc1 79097806 JMUFDNATEJAWQY-UHFFFAOYSA-N 304.331 1.543 0 40 DDAB COc1ccc([C@@]2(O)CSc3nc(C)cc(=O)n32)cc1OC 35682841 FKVOKJCAOPZRGQ-HNNXBMFYSA-N 320.370 1.368 0 40 DDAB O=C(NC[C@@H]1CCCN(C(=O)c2cnccn2)C1)c1ccco1 72324235 HCBLFMQZSVOOJN-LBPRGKRZSA-N 314.345 1.352 0 40 DDAB CCCCOC(=O)N1CCN(C[C@H](O)CN(CC)CC)CC1 31647503 BFUIOWUPKPGBTC-OAHLLOKOSA-N 315.458 1.243 0 40 DDAB Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)n2ncnc2n1 568174450 ZENRSBFIQYWFOO-LLVKDONJSA-N 316.365 1.018 0 40 DDAB OC1CCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)CC1 72394703 SRCFGIOAIJNGHY-ZDUSSCGKSA-N 314.433 1.987 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cccc(N3CCCC3)n2)CC1 72364646 RTPDBVHJIDJFQL-UHFFFAOYSA-N 323.462 1.896 0 40 DDAB C[C@H](NS(=O)(=O)c1ccnn1C)[C@@H]1Oc2ccccc2[C@@H]1C 329733997 JZWUMWMJMNWVSX-ZIBATOQPSA-N 321.402 1.652 0 40 DDAB O=C(NCC1CCN(c2ccncc2)CC1)C1(O)CCCC1 89393392 DFCIAGRDBJJXCU-UHFFFAOYSA-N 303.406 1.719 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)N1CCC(OCCCN)CC1 195543037 UXIQWDNSRPSFPR-UHFFFAOYSA-N 314.817 1.352 0 40 DDAB O=C(NCCc1ccc(F)cc1)c1nc(-c2cnccn2)no1 44122252 DABVPGKOOYOYSS-UHFFFAOYSA-N 313.292 1.638 0 40 DDAB COc1ccc([C@@H](N)c2n[nH]c([C@@H]3CCCO3)n2)cc1OC 95533879 ZBBZCIMKFOEEQS-WCQYABFASA-N 304.350 1.722 0 40 DDAB O=S(=O)(CC[C@@H]1CCCO1)NCCc1ccc(F)cc1F 96472627 KYMGXWIQNGXACQ-ZDUSSCGKSA-N 319.373 1.996 0 40 DDAB C[C@@](O)(CNC(=O)CCCn1ccnc1)c1ccc(F)cc1F 96421719 OYEKTIOPPCDXDI-MRXNPFEDSA-N 323.343 1.965 0 40 DDAB c1ccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)nc1 96056328 PSCNDSUIBGGFFA-YESZJQIVSA-N 303.406 1.146 0 40 DDAB CCN1CCCC[C@H]1C(=O)NCC1CCC2(CC1)OCCO2 96446865 QIQHHJZEFBKYHV-HNNXBMFYSA-N 310.438 1.910 0 40 DDAB COCCN1CC[C@]2(CN(C(=O)c3cccnc3)C[C@H]2C)C1=O 96201662 LWYVXACJYVOBMV-CXAGYDPISA-N 317.389 1.039 0 40 DDAB Cc1cc(OC[C@H](O)CN(C)Cc2ccccc2)nnc1C 96415117 YLTVBWRNZSEHDA-MRXNPFEDSA-N 301.390 1.965 0 40 DDAB CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(F)cc2O)no1 94087072 RXAYQWHFNQCFIQ-UHFFFAOYSA-N 322.340 1.641 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 96161387 DRIVQEPGTVELJS-YJBOKZPZSA-N 310.401 1.526 0 40 DDAB c1cnn(Cc2ncn3c2CN(C2CCOCC2)CCC3)c1 96259467 YHYYBPUEVNHTNA-UHFFFAOYSA-N 301.394 1.513 0 40 DDAB COc1ccc(-c2nn([C@H](C)C(=O)O)c(=O)cc2OC)cc1 95095634 IZKJCGCPUOXDAP-SECBINFHSA-N 304.302 1.573 0 40 DDAB COc1cccc(CC(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 96107928 WDBNYKJSYZRRHN-GOEBONIOSA-N 304.390 1.027 0 40 DDAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1nnc([C@H]2CCCO2)s1 96117056 KZYREMSUOSJIOU-JGVFFNPUSA-N 311.363 1.670 0 40 DDAB COCCC(=O)N1CC2(CC[C@H](CN3CCCCC3)CO2)C1 247814095 ABYHCFVDEGYZSF-OAHLLOKOSA-N 310.438 1.516 0 40 DDAB CNc1ccc(C[C@H]2CCCN(C(=O)c3ccno3)C2)nn1 257322541 WGJVUFDUXDINMY-LLVKDONJSA-N 301.350 1.601 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 257209870 BSFLZWKFMGZIMW-GFCCVEGCSA-N 317.393 1.952 0 40 DDAB O=C(CO)N1CCC2(CC1)CO[C@@H](Cc1cccc(F)c1)C2 257232164 GJRKOHSABBUGHD-HNNXBMFYSA-N 307.365 1.758 0 40 DDAB CCS(=O)(=O)N1Cc2cncn2[C@H](COc2ccccn2)C1 253489393 FBNVGSFRKSFQLF-ZDUSSCGKSA-N 322.390 1.064 0 40 DDAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257302171 SBUHXTBZASXIQO-GFCCVEGCSA-N 319.386 1.751 0 40 DDAB CN(C(=O)c1nccc2ccccc12)[C@@H]1CCC[C@@H](O)[C@@H]1O 257331523 XTGIRGJJFMVTKJ-IIAWOOMASA-N 300.358 1.581 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)s1 257282074 OSGBHTICUQHWFQ-STQMWFEESA-N 320.418 1.795 0 40 DDAB O=S(=O)(C1CCCC1)N1CCC[C@@H](c2ccnc(O)n2)C1 257237738 HHXYTGQTMAALRX-LLVKDONJSA-N 311.407 1.634 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 257247337 IYNOVTJGFHKWQL-NSHDSACASA-N 321.406 1.081 0 40 DDAB OCCN1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 257216000 CSPUOVXOZCGWRW-GFCCVEGCSA-N 300.366 1.182 0 40 DDAB COC[C@@]1(C(N)=O)CCCN1C(=O)Nc1c(C)cccc1C 585140381 COZLWHJCGYWGEL-MRXNPFEDSA-N 305.378 1.802 0 40 DDAB CC1CC(C(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)C1 585109148 AVFUTHGZBRCZIQ-QXRZNBQRSA-N 306.406 1.271 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccccc1)C2 585110907 YBNVJDTYQAYQOU-OAHLLOKOSA-N 310.401 1.752 0 40 DDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)c3conc3C)C2)cc1 585279258 YOBZLADYUCKGPK-KRWDZBQOSA-N 316.357 1.947 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Cl 11694206 VNDFEGKRMWRZMQ-QMMMGPOBSA-N 317.172 1.719 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCCC3)C2=O)cc1 5022192 FOQHMILFFGWNTJ-CQSZACIVSA-N 316.357 1.591 0 40 DDAB O=C(Nc1ccccc1C(=O)NCCO)c1ccccc1O 5770823 XYCAZLTYQWBGCU-UHFFFAOYSA-N 300.314 1.367 0 40 DDAB CCN1C(=O)NC2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O 11612482 OZXALJWHULIBFA-UHFFFAOYSA-N 319.336 1.372 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)c(OC)c1 12391472 UKKGBJFBCUKJCG-GFCCVEGCSA-N 316.317 1.587 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 12699713 ZTTFBYKCKJATHA-PHIMTYICSA-N 311.407 1.844 0 40 DDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 225446992 CYSNXNCLPRYNBA-KGLIPLIRSA-N 316.405 1.879 0 40 DDAB CCCCCCC1=C(CC(=O)O)C(=O)N(CCCC(N)=O)C1=O 253403418 PUUPIRGONKWMNS-UHFFFAOYSA-N 324.377 1.362 0 40 DDAB biogenic,in-vitro Cc1ncc(C(=O)N2CCCC[C@@H]2c2cc(O)n(C)n2)c(C)n1 2037844074 NHUPWGLQOSNURE-CQSZACIVSA-N 315.377 1.900 0 40 DDAB CC(C)N1C[C@]2(COCCN(Cc3ccncc3)C2)CC1=O 1614947637 FRPZHHJELLVYBM-KRWDZBQOSA-N 303.406 1.541 0 40 DDAB Cc1cnc(C)c(OC2CCN(Cc3nncn3C)CC2)n1 2087122747 KRPCCADWXHINGQ-UHFFFAOYSA-N 302.382 1.265 0 40 DDAB CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1N 1440120 LCNQWKGAHJLFSH-UHFFFAOYSA-N 311.798 1.939 0 40 DDAB COC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O 4479301 PJEFPANZWZVXKU-UHFFFAOYSA-N 312.329 1.372 0 40 DDAB COc1cc(C(=O)N[C@@H]2CN3CCC2CC3)cc(OC)c1OC 4698558 SCUJZAWBOCNXGC-CYBMUJFWSA-N 320.389 1.536 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(N)=O)s2)cc1 8978954 KSUOPBDVBLQAOA-UHFFFAOYSA-N 311.388 1.660 0 40 DDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(Cc2ccncc2)C1 2055771986 OVCJLEOMLUITAN-KRWDZBQOSA-N 313.405 1.358 0 40 DDAB CO[C@H](CNC(=O)N1CCNC1=O)c1ccc(Cl)s1 225704501 CZMDGRHEILCFAS-SSDOTTSWSA-N 303.771 1.824 0 40 DDAB CCCOc1ccc2c(c1)OCC(C(=O)N1CCNC(=O)C1)=C2 40540126 QXOZPGGMFRJOKD-UHFFFAOYSA-N 316.357 1.210 0 40 DDAB CCC[C@@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 40091141 AZCSFHVFOZYSIP-CHWSQXEVSA-N 316.405 1.972 0 40 DDAB O=C(Cn1ccc2ccccc21)NCCCN1CCOCC1 20146026 BZCSCCOUUOITRW-UHFFFAOYSA-N 301.390 1.480 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 85376 XSPSBDXFPXFEBT-UHFFFAOYSA-N 322.361 1.618 0 40 DDAB Cc1noc(C)c1Cn1nc(CNc2ccc(F)cc2)[nH]c1=O 40286576 PNEKUDZOFAURIZ-UHFFFAOYSA-N 317.324 1.976 0 40 DDAB NS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCCC2 40223258 RTCZNMRZNFVWRH-UHFFFAOYSA-N 302.421 1.035 0 40 DDAB CNc1snc(C)c1C(=O)NCc1nnc2n1CCCCC2 40489522 XYFQDSFATDKJLR-UHFFFAOYSA-N 320.422 1.741 0 40 DDAB O=C(O)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 31775900 MDPDYUNAPDOFDL-SSDOTTSWSA-N 315.255 1.444 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3scnc3C)CC2)on1 40529794 YXUYXBCMMUBPML-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB CCOc1ccc(NC(CC)=C2C(=O)NC(=O)NC2=O)cc1 101081847 DNYJFRCCKZWAPL-UHFFFAOYSA-N 303.318 1.527 0 40 DDAB OC1=c2cc3c(cc2=N[C@H](c2ccc4c(c2)OCO4)C1)OCO3 101414165 FFYMZNQKYVLQJN-NSHDSACASA-N 311.293 1.575 0 40 DDAB Cn1nc(-c2nc([C@@H]3CCCNC3)cc(=O)[nH]2)c2ccccc21 32603498 JDNXGVYHHDMEDO-LLVKDONJSA-N 309.373 1.791 0 40 DDAB CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 76018757 PGYOZUDLVRFLQS-MFKMUULPSA-N 310.781 1.987 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1 76044930 COAXWCISXRLKNZ-JSGCOSHPSA-N 314.345 1.189 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 77618042 FZZDJVYUHOCYFK-GFCCVEGCSA-N 319.386 1.966 0 40 DDAB Nc1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O 1556509 DZMOIYZLVQGUDA-UHFFFAOYSA-N 307.353 1.689 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)NCCN1CCCCC1 78802777 ICCLZVYFHGBYJB-FQEVSTJZSA-N 303.472 1.319 0 40 DDAB Cc1cccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c1C(N)=O 79048370 CHYPQDHWZXRSFM-JTQLQIEISA-N 315.295 1.669 0 40 DDAB Cc1ccc(NC(=O)c2cccc(C(N)=O)c2)cc1-n1cnnn1 33083549 MJOQQFPWEGYEEH-UHFFFAOYSA-N 322.328 1.322 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccco1 103311734 ZGSIVFAEQQIQDG-UTUOFQBUSA-N 304.346 1.632 0 40 DDAB O=C(CN1CCc2cncnc2C1)Nc1ccc(Cl)cn1 69568983 SCKYWAAENAYMHE-UHFFFAOYSA-N 303.753 1.522 0 40 DDAB O=C(CCN1CCc2[nH]c3ccccc3c2C1)N1CCOCC1 69530681 DIWWRUFBWVCCQG-UHFFFAOYSA-N 313.401 1.775 0 40 DDAB CCOc1ccc(C(=O)N2CCCC[C@H]2CNC(N)=O)cc1 69508122 FVZZEGVXFAQLRQ-ZDUSSCGKSA-N 305.378 1.748 0 40 DDAB COC(=O)NCCCC(=O)Nc1ccc(NC(C)=O)c(OC)c1 69582705 LIUYDDNSSAOICO-UHFFFAOYSA-N 323.349 1.728 0 40 DDAB CC(=O)c1ccc(OCC(=O)N2CCN(C(C)=O)CC2)cc1F 69585236 ONRZQZXWDVLTEQ-UHFFFAOYSA-N 322.336 1.098 0 40 DDAB CC(=O)N[C@@H](C(=O)NCCn1c(C)nc2ccccc21)C(C)C 8135268 ALINQZHQEKRSMX-MRXNPFEDSA-N 316.405 1.622 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1ccccc1 42026716 FAUZWLDVNNHFOU-HUUCEWRRSA-N 307.415 1.655 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H]1COc2ccccc2O1 42308961 YHTPJSNJTHRCDI-STQMWFEESA-N 316.361 1.411 0 40 DDAB O=C(CCn1cccn1)NCC1(N2CCOCC2)CCCCC1 42476473 DNSTZPUFKQNHMR-UHFFFAOYSA-N 320.437 1.425 0 40 DDAB CCC(=O)N(c1nnc(S[C@H]2CCOC2=O)s1)C1CC1 9513408 WPQJWQWLUQLKDB-QMMMGPOBSA-N 313.404 1.851 0 40 DDAB CN(CC(N)=O)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 47628445 UJTCWUNFFOYJRX-UHFFFAOYSA-N 314.267 1.673 0 40 DDAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@H]3OCC[C@H]32)cc1 108530430 ZEMZGTFYGADXSL-ARFHVFGLSA-N 304.390 1.373 0 40 DDAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccccc32)N2CCC[C@H]12 54969061 PQRURSASPIIZFM-JDSLSITLSA-N 300.358 1.881 0 40 DDAB COC(=O)c1cn(C2CCN(CCc3ccccc3)CC2)nn1 97135263 SNAYSSIBWFXRFC-UHFFFAOYSA-N 314.389 1.944 0 40 DDAB Cc1ccc(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24679439 RZSWEXGMHQKEAZ-HNNXBMFYSA-N 324.446 1.468 0 40 DDAB Cc1nc(N(CCN(C)C)C[C@H]2CCCO2)c2nc(C)oc2n1 55107821 FWUCDADSOZMYKJ-CYBMUJFWSA-N 319.409 1.782 0 40 DDAB C[C@H]1CN(CCNC(=O)[C@H](C)OCc2ccccc2)C[C@@H](C)O1 106062240 KAYNYDSRIWDUHH-XHSDSOJGSA-N 320.433 1.817 0 40 DDAB C[C@H](NCc1noc(C2CC2)n1)c1nnnn1-c1ccccc1 97112280 XMGWLHNJXHPULR-JTQLQIEISA-N 311.349 1.774 0 40 DDAB O=C(CN1CCSC1=O)Nc1ccccc1N1CCOCC1 12543370 USUSUIZJIOXRPD-UHFFFAOYSA-N 321.402 1.631 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)NOCc1ccccc1 25036849 XQKZNXANBHISKS-UHFFFAOYSA-N 309.325 1.645 0 40 DDAB Cc1ccc(F)c(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1 72300534 YZJXJVDFJMVJAS-SWLSCSKDSA-N 314.426 1.894 0 40 DDAB O=C(Cc1ccccc1)NCn1nnc(-c2ccc(F)cc2)n1 1425317 AKCPWIBMZCOQMT-UHFFFAOYSA-N 311.320 1.796 0 40 DDAB Cc1ccc(N2CC[C@@H](C(=O)N3CCSCC3)C2=O)cc1 56013037 GAWQTEXGYGGOFH-AWEZNQCLSA-N 304.415 1.923 0 40 DDAB Cn1cc(CN2CCN(C[C@H](O)c3cccc(F)c3)CC2)cn1 69668033 REIJJHWHRDJYQU-KRWDZBQOSA-N 318.396 1.410 0 40 DDAB C[C@H](C(=O)N(C)CC(=O)N1CCCC1)n1cnc2ccccc21 58166266 RPFYWAHCYUBPHA-CYBMUJFWSA-N 314.389 1.678 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(OC)cc2)C1 44867116 UTPVATFLWNJWEH-ZDUSSCGKSA-N 321.373 1.876 0 40 DDAB CC(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 44893629 YJFCJKXMDSJOIJ-HWKANZROSA-N 300.358 1.325 0 40 DDAB O=C(NC[C@H]1CCCc2ccccc21)N[C@H]1CCS(=O)(=O)C1 44946161 KOVQENSZTTUFKY-KGLIPLIRSA-N 322.430 1.593 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2ccccn2)c1 44970148 IAVBAXFACYWEAO-UHFFFAOYSA-N 320.374 1.311 0 40 DDAB CN(C)C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44938206 KTUYTWUKJZTFKV-UHFFFAOYSA-N 319.766 1.072 0 40 DDAB Cn1ccc(C(=O)OCCc2c[nH]nc2C(F)(F)F)cc1=O 58304889 VMXUGZGSQWHBIU-UHFFFAOYSA-N 315.251 1.527 0 40 DDAB CCOc1ncccc1CNC(=O)c1ccnc(-n2ccnc2)c1 58356074 GYQMDSKNNRXWGR-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB COc1ccc(CN2CCCN(C(=O)c3cc[nH]n3)CC2)cc1 45033986 IRXPZAZNAVPVJY-UHFFFAOYSA-N 314.389 1.766 0 40 DDAB COC(=O)c1cc(OC(=O)c2ccc(OC)c(OC)c2)nn1C 408563048 TWEUSENFCKJUHM-UHFFFAOYSA-N 320.301 1.443 0 40 DDAB O=C(NCCNC(=O)c1ccco1)N[C@@H]1CCc2ccccc21 45663095 VWDZNEWFGMHSJX-CQSZACIVSA-N 313.357 1.996 0 40 DDAB OC1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 69738961 VXLSESCQYCGMEF-ZDUSSCGKSA-N 300.196 1.939 0 40 DDAB CN1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)CC1=O 46181923 UHXURMOBYNWXIH-OAHLLOKOSA-N 312.373 1.026 0 40 DDAB CS(=O)(=O)c1ccc(SCC(=O)N2CCOCC2)cc1 69744229 QQRSGEXXRQTUIY-UHFFFAOYSA-N 315.416 1.041 0 40 DDAB NC(=O)C1CCC(N[C@@H]2CS(=O)(=O)c3ccccc32)CC1 38091761 KZEJGLBDTCYUDE-GCZXYKMCSA-N 308.403 1.149 0 40 DDAB CCNC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 8634097 QWNGPLGUXSLAEH-MRXNPFEDSA-N 303.362 1.066 0 40 DDAB CCc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 3579155 LJNBIDWHEXCZLR-UHFFFAOYSA-N 308.341 1.993 0 40 DDAB COc1ccnc(N2CCN(Cc3csc(C)n3)CC2)n1 12984463 YDNTVJNONPVYSU-UHFFFAOYSA-N 305.407 1.572 0 40 DDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccco1 18043242 XVDBRNNDDKMWPB-LBPRGKRZSA-N 304.306 1.350 0 40 DDAB CC1CCC(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 13017454 HHUCDZAEUNILQY-UHFFFAOYSA-N 318.373 1.840 0 40 DDAB C[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)CN1CCCC1 69896708 JDTKSKRRPQEXDW-CYBMUJFWSA-N 314.393 1.124 0 40 DDAB Cc1cc([C@@H](C)C(=O)N2CCN(CC(C)(C)O)CC2)c(C)o1 69844171 AVGPHWYDPYSZLS-CYBMUJFWSA-N 308.422 1.915 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)n1 69948849 WQKRKQXQYYGBOM-KGLIPLIRSA-N 322.409 1.234 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS[C@H](C)C1 69922277 JMRBIZPAKNCVRC-SECBINFHSA-N 320.418 1.146 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@H](n2ccnc2)C1 69925581 XVGURTTZJTUUNS-AWEZNQCLSA-N 314.393 1.729 0 40 DDAB Cc1cccc2c(CC(=O)N3CCOC[C@@H]3CCO)c[nH]c12 92435977 JNMQXZMNTCMBCG-AWEZNQCLSA-N 302.374 1.629 0 40 DDAB Cc1cccc(C(=O)N2CCCN([C@H]3CCOC3=O)CC2)c1 65493916 XIIGBLNCUGKVLM-HNNXBMFYSA-N 302.374 1.458 0 40 DDAB CC[C@H](OC)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 65495931 DDDADQVMRDSONC-ZDUSSCGKSA-N 301.346 1.706 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccc(F)cc1F 65435053 PLTAWQDGWPYZPC-HZMBPMFUSA-N 324.331 1.583 0 40 DDAB CN1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 65439633 OZDOMNHJMDEGJC-HNNXBMFYSA-N 320.437 1.764 0 40 DDAB COC[C@H](C)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 5319400 SEOPTAXXJFBXBB-QMMMGPOBSA-N 309.391 1.226 0 40 DDAB CC1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 14138085 QKVDMRZQJYNOIF-UHFFFAOYSA-N 321.402 1.728 0 40 DDAB CC(CO)(CO)NC(=O)Nc1ccc2c3c(cccc13)CC2 92795074 UKTQSINNUJJIFW-UHFFFAOYSA-N 300.358 1.803 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1nnsc1Cl)CC2 97201873 WOMJCUYQJVAMSY-UHFFFAOYSA-N 310.814 1.606 0 40 DDAB CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(F)c(Cl)c1 6588849 LWQBNSQVFQZAOQ-UHFFFAOYSA-N 308.762 1.364 0 40 DDAB CC(=O)Nc1ccc(Nc2ccc3nnnn3n2)cc1Cl 14328010 DUMZCVTYIXXMNR-UHFFFAOYSA-N 303.713 1.875 0 40 DDAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCN(C)C)ccc12 6719509 RRQDTEJAVIKXNV-UHFFFAOYSA-N 318.373 1.466 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2ccccc2C(=O)O)n1 6756761 BNDNOMXLGDAOST-UHFFFAOYSA-N 319.346 1.070 0 40 DDAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CCCO)CC1 66607046 DLXWOQIEDNAPMS-UHFFFAOYSA-N 305.374 1.735 0 40 DDAB CCc1ccc(-n2cc(C(=O)N3CCN(CC)CC3)nn2)cc1 67263230 CPHFSHJLAUFKHC-UHFFFAOYSA-N 313.405 1.607 0 40 DDAB COCCNC(=O)NC(=O)CN(Cc1ccccc1F)C1CC1 15522376 XOKULHOFNMNHAN-UHFFFAOYSA-N 323.368 1.262 0 40 DDAB C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1ccccc1F 80751763 UVGAHUDROIWDIQ-NSHDSACASA-N 304.321 1.722 0 40 DDAB O=S1(=O)c2ccccc2[C@@H]2Sc3ncnc4ncn(c34)[C@@H]21 9142753 PXNSENBHHUVNOU-GXFFZTMASA-N 316.367 1.959 0 40 DDAB COc1ccc(-c2noc(CCC(=O)NC3CC3)n2)cc1OC 7952899 LJXCVBRAMMBNFX-UHFFFAOYSA-N 317.345 1.965 0 40 DDAB COc1cccc(C(=O)NCC(=O)NCc2ccccc2F)c1 7922096 IOAZFDSTCDUTNA-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB Nc1nccnc1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 70014258 FXKIOEPNTJHGDE-JTQLQIEISA-N 319.315 1.346 0 40 DDAB Cc1ccc(-c2noc(Cn3cnnc3[S@@](C)=O)n2)cc1F 69349243 PYRUWKBZQIWJOO-QFIPXVFZSA-N 321.337 1.561 0 40 DDAB Cc1ccc(C(=O)N(C)CCCC(=O)O)cc1S(C)(=O)=O 95389880 ITUYJFCOLIBLCW-UHFFFAOYSA-N 313.375 1.335 0 40 DDAB Cc1cc(S(=O)(=O)Nc2nnc[nH]2)sc1Br 83577204 DHAJBGRWTZPSFR-UHFFFAOYSA-N 323.197 1.738 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1 71793465 NPVCZEODYVXEOP-HNNXBMFYSA-N 321.336 1.485 0 40 DDAB CN1CC[C@@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O 84642070 DPLXTGWGBLUZFV-SNVBAGLBSA-N 307.316 1.734 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)c1 71865848 CYOBUDKDDYWPRK-KGLIPLIRSA-N 302.382 1.425 0 40 DDAB Cc1cc(C)n(-c2ccc(Cn3nc(C(N)=O)ccc3=O)cc2)n1 71803679 MDHKXUNCAXCVKT-UHFFFAOYSA-N 323.356 1.193 0 40 DDAB COCCN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 71880146 UMYBWQQWYHZTSK-LBPRGKRZSA-N 300.424 1.183 0 40 DDAB COC(=O)CN(C)C(=O)CCN(Cc1ccccc1F)C1CC1 71893053 FISWYWWXLQCAIT-UHFFFAOYSA-N 322.380 1.812 0 40 DDAB CC(C)c1nc2n(n1)C[C@H](NCCCN1CCCC1=O)CC2 71871841 JIKAZJLWUNUZBU-CYBMUJFWSA-N 305.426 1.318 0 40 DDAB COc1cccc(SCC(=O)Nc2c(C(N)=O)n[nH]c2C)c1 71903907 YKTSVMHRWDISKE-UHFFFAOYSA-N 320.374 1.556 0 40 DDAB O=C(CSc1ncccn1)NC(=O)NCCc1cccs1 9721845 VNYLORQWKMXSNE-UHFFFAOYSA-N 322.415 1.699 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)CCC(C)=O)cc1 95445399 PFMGQTLRYPHADP-UHFFFAOYSA-N 313.375 1.463 0 40 DDAB CC(C)(C)c1nnnn1CC(=O)c1ccc2c(c1)CCC(=O)N2 95427871 VMUINLKDWPDFHN-UHFFFAOYSA-N 313.361 1.738 0 40 DDAB CC[C@@H](CC1CCCC1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 72290669 PSHQGORDCINNAR-LRDDRELGSA-N 307.394 1.403 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 72269060 MGBRHVWXXDVHRZ-SJORKVTESA-N 302.418 1.595 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCN1 73343043 YUSXOODJFCWINA-ZDUSSCGKSA-N 300.362 1.024 0 40 DDAB CC(C)(C)c1nc(CNC(=O)N2CCCC[C@H]2CCO)no1 95987582 IEMFMLDWHYJNRH-NSHDSACASA-N 310.398 1.814 0 40 DDAB O=C(Cc1c(Cl)cccc1Cl)N[C@]1(C(=O)O)CCOC1 85854135 XHZZGXXPGBOZEJ-CYBMUJFWSA-N 318.156 1.896 0 40 DDAB Cc1noc(CCCC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)n1 75130745 NHGBMOFJYKVZLE-KBPBESRZSA-N 306.410 1.786 0 40 DDAB CCN(CC)c1ccc(CNC(=O)C2=NN(C)C(=O)CC2)cn1 89969112 GFQZKZFFTVQSOC-UHFFFAOYSA-N 317.393 1.152 0 40 DDAB COc1ccc(CCn2c(=S)[nH]cc(CC(=O)O)c2=O)cc1 20156325 DZHWXUPQPYIBIS-UHFFFAOYSA-N 320.370 1.784 0 40 DDAB NC(=O)CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72383053 DFTWBUMQQPTDOI-LLVKDONJSA-N 303.391 1.904 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCC[C@@H](O)C1CCOCC1 217916547 ZHYNIKWOUOUBIQ-CZUORRHYSA-N 307.390 1.748 0 40 DDAB COCCCNC(=O)CN(C)c1ccnc2cc(F)ccc12 79096566 VPUWFEYJMCTCMQ-UHFFFAOYSA-N 305.353 1.963 0 40 DDAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)[C@H]1CCOC1 78415515 YQVIMRUQKSVTEU-LRDDRELGSA-N 307.346 1.150 0 40 DDAB CCn1nc(C)c2c(C(=O)N3CCN(C)CC3)cc(C)nc21 32610989 XDBKZWRAJGCOAJ-UHFFFAOYSA-N 301.394 1.456 0 40 DDAB Cc1nn(C[C@H]2N[C@H](C(=O)O)CS2)c(C)c1Br 34926132 ZAYBVFKJMUWNCU-YUMQZZPRSA-N 320.212 1.378 0 40 DDAB COc1cc(CNC[C@@H](C)O)ccc1OCc1nc(C)no1 32617152 ACOXOTMAAQZVBI-SNVBAGLBSA-N 307.350 1.436 0 40 DDAB C[C@H](N)C(=O)N1CC[C@H](CN(Cc2ccccc2)C2CC2)C1 79415631 STWOOHMDZAMILW-HOCLYGCPSA-N 301.434 1.847 0 40 DDAB CCN(C(=O)NCc1ccoc1C)[C@H](C)CS(C)(=O)=O 79036250 MXTVZBAUXUGNDL-SNVBAGLBSA-N 302.396 1.553 0 40 DDAB COC[C@@]1(C(=O)O)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218004115 SBVVFARKJYGIJX-PWSUYJOCSA-N 304.751 1.603 0 40 DDAB Cc1cc(C)cc(OCCN(C)c2ccc(C(N)=O)nn2)c1 75041267 QEDQUBRIJBDUHN-UHFFFAOYSA-N 300.362 1.708 0 40 DDAB O=C(CCc1ccc(-n2cnnn2)cc1)Nc1nncs1 71288823 XHAHDVSAOKYCMK-UHFFFAOYSA-N 301.335 1.085 0 40 DDAB O=C(Cc1ccncc1)N1CCC[C@@H](c2nncn2C2CC2)C1 329391956 TUQCETKRCVFOSN-CQSZACIVSA-N 311.389 1.957 0 40 DDAB O=C1c2cnc(N3CCCCC3)nc2CN1C[C@@H]1CCCO1 41123081 RKGZZGWVCGNCMT-LBPRGKRZSA-N 302.378 1.602 0 40 DDAB CCO[C@H]1C[C@](NC(=O)c2cc(C3CC3)[nH]n2)(C(=O)O)C1(C)C 193042821 QSHGSGVMQNIUJH-LRDDRELGSA-N 321.377 1.675 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)C)ccc1OC 225209496 JDCQMNBIXRBROC-SNVBAGLBSA-N 314.407 1.378 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](C)S(=O)(=O)CC2)o1 192046597 WDPJFPRWDGAHQL-GFCCVEGCSA-N 323.418 1.987 0 40 DDAB C[C@H]1C[C@@H](C)CN(Cc2csc(NS(C)(=O)=O)n2)C1 195568209 QWBCHKULMRBINZ-AOOOYVTPSA-N 303.453 1.993 0 40 DDAB O=C(CS(=O)(=O)C1CCCC1)Nc1ccc(CCO)cc1 96403192 HOIJRJPFHSQTCB-UHFFFAOYSA-N 311.403 1.517 0 40 DDAB Cn1ccnc1C(=O)NCCOc1cccc(Br)c1 96421345 GLPRSPWTXFKZLS-UHFFFAOYSA-N 324.178 1.991 0 40 DDAB CN(C)Cc1cn2c(n1)CN(Cc1ccc3c(c1)OCO3)CC2 96197154 YDIZOLBMYSOKBC-UHFFFAOYSA-N 314.389 1.689 0 40 DDAB CN1CCCN(C(=O)[C@@H]2COCCO2)c2cc(Cl)ccc21 96425529 GMNZAFBCMYBZQU-AWEZNQCLSA-N 310.781 1.928 0 40 DDAB Cc1ccc(CN2C[C@@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)o1 96185839 DIHRIWYYAXTRMC-RBSFLKMASA-N 307.394 1.591 0 40 DDAB O=C(c1ccco1)N1CCn2c(COCC3CC3)nnc2C1 96259030 NLMCKFOLYGJZPY-UHFFFAOYSA-N 302.334 1.454 0 40 DDAB CCN1C(=O)CCC12CCC(NC(=O)c1cnccn1)CC2 96228537 UMRJOZLPJXMSPK-UHFFFAOYSA-N 302.378 1.530 0 40 DDAB CCN(C)S(=O)(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 96483524 VRZIOMZOFDPVMU-CQSZACIVSA-N 314.451 1.804 0 40 DDAB Cc1ccc(N2CCC[C@@H](Sc3nnc(C)n3N)C2=O)cc1 96424821 DXGJWBDUNCYFLL-CYBMUJFWSA-N 317.418 1.896 0 40 DDAB c1cncc(CO[C@H]2C[C@@H]3CN(Cc4ccncc4)CCN3C2)c1 96055040 PZASUWAVVOYLQC-MOPGFXCFSA-N 324.428 1.952 0 40 DDAB CS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1cccnc1)C2 96047428 SYMWKPLSDWOKAE-INIZCTEOSA-N 323.462 1.862 0 40 DDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C2CCCC2)O1)N1CCOCC1 96186949 WREGAIRBFGNAQR-OAGGEKHMSA-N 308.422 1.410 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)s1 96413919 DHGLRZCWWWHEJZ-JQWIXIFHSA-N 315.460 1.929 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 97199074 IFKIIJBXSGUSEK-DOMZBBRYSA-N 313.357 1.463 0 40 DDAB Cn1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)n1 96116933 RJDGYHMJTNRDAC-UHFFFAOYSA-N 309.329 1.997 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)Nc1cccc(C)c1 96245799 PRZLDNWQEJBVOL-CABCVRRESA-N 317.389 1.849 0 40 DDAB CCN(CCNC(=O)NCC[S@](C)=O)c1ccccc1C 96408766 NDQDZHSYURDVEM-OAQYLSRUSA-N 311.451 1.499 0 40 DDAB CN(Cc1cn(C)cn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257225430 FGEBTYANWPULNO-IKGGRYGDSA-N 301.390 1.823 0 40 DDAB CCn1cc(CN2CC[C@H](c3[nH]ncc3C(=O)N(C)C)C2)cn1 257332672 XYFLNYPMZDJJHD-ZDUSSCGKSA-N 316.409 1.317 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3c[nH]cn3)CCO2)n1 257235079 GWIVQZZNBDZNHR-ZDUSSCGKSA-N 301.350 1.084 0 40 DDAB CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)ccn1 257263492 LQDXFNJNQLNDTP-CYBMUJFWSA-N 313.361 1.208 0 40 DDAB COc1ccc(C[C@H]2CN(C(=O)c3ccnn3C)CCO2)cc1 257263526 LQIRGFUOXUAVHV-HNNXBMFYSA-N 315.373 1.512 0 40 DDAB Cc1cnccc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257245413 IPJJAGSDYHPYET-INIZCTEOSA-N 314.389 1.719 0 40 DDAB C[C@@]1(C(=O)NCCO)CCCN1Cc1ccc(OCCF)cc1 257264975 LWUJTFCRKVEXDZ-KRWDZBQOSA-N 324.396 1.498 0 40 DDAB CCc1nc(CN2CCN(C(=O)c3c[nH]c(C)n3)CC2)cs1 264777080 WCEYYEPQKOLMBJ-UHFFFAOYSA-N 319.434 1.695 0 40 DDAB CSc1nc2c(c(C(N)=O)n1)CN(C(=O)OC(C)(C)C)CC2 91692446 QWTPYKNHSVSZKC-UHFFFAOYSA-N 324.406 1.591 0 40 DDAB Cc1cccc(C[C@@]2(CO)CN(Cc3cc[nH]n3)CCO2)c1 585276821 QWSNDHLMMLSQQR-KRWDZBQOSA-N 301.390 1.524 0 40 DDAB O=C(CCc1nc(Cc2ccccc2)no1)NC[C@H]1CCCO1 46738299 WKKCWDFIROQLLQ-CQSZACIVSA-N 315.373 1.888 0 40 DDAB Cc1nc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1 57003836 WGTIRRNNLHZNQZ-UONOGXRCSA-N 303.387 1.909 0 40 DDAB CCc1ccsc1C(=O)NCCn1nc2ccccn2c1=O 57241081 SFQSOUOBLJMZMV-UHFFFAOYSA-N 316.386 1.550 0 40 DDAB COc1ccc(CNC(=O)Cn2cc(Cl)cn2)cc1OC 58024161 IUSGFZQMCCECFO-UHFFFAOYSA-N 309.753 1.870 0 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DDAB O=S(=O)(C1CC1)N1CCN(c2ncnc3sccc23)CC1 173009029 YLFWXDZXPHDQJF-UHFFFAOYSA-N 324.431 1.306 0 40 DDAB CNc1cccc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 72364563 CMNXRRVAGLJGOX-LLVKDONJSA-N 321.406 1.415 0 40 DDAB CCOC(=O)C1=NN(c2ccc(OCC)cc2)[C@H](C(=O)O)C1 71979387 FXVDLTDTEOEVOG-ZDUSSCGKSA-N 306.318 1.668 0 40 DDAB O=C(O)C1(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 225485045 TWEUUFXIQGCSGU-UHFFFAOYSA-N 308.281 1.685 0 40 DDAB O=C(CCCNc1ncccn1)NCc1ccc2c(c1)OCO2 45762574 TXNULDGMDBSWCT-UHFFFAOYSA-N 314.345 1.714 0 40 DDAB CCc1nc(CNc2ncnc(-n3cccn3)c2N)cs1 195575235 KSVYPQKWBDZFIS-UHFFFAOYSA-N 301.379 1.876 0 40 DDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)NCCc1cccs1)CC2 225741628 JQMYCBOYBVEHAZ-NSHDSACASA-N 317.414 1.306 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCOCC(F)(F)C(F)F 195576576 XYEVREFAWPTWBA-RKDXNWHRSA-N 309.259 1.855 0 40 DDAB Cc1noc(C)c1C(=O)NCCCc1cnc2ncnn2c1 225644623 OPVKMFYTBRLXLR-UHFFFAOYSA-N 300.322 1.092 0 40 DDAB CC(C)NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 223216684 XMFSKUZAEVEYTG-UHFFFAOYSA-N 318.373 1.792 0 40 DDAB O=C(C1CCOCC1)N1CCc2ncnc(C3CC3)c2CC1 96255148 KSDGHRVZORFBIY-UHFFFAOYSA-N 301.390 1.708 0 40 DDAB COc1ccccc1CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 92044981 SLCYDXZUHWZKNV-OAHLLOKOSA-N 324.446 1.695 0 40 DDAB COCC(=O)N1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 96245289 VFKUAACLCAFNNN-GJZGRUSLSA-N 302.374 1.058 0 40 DDAB CCC(CC)c1cc(CNC(=O)N[C@H]2CCN(C)C2=O)on1 96440703 YMHWCXNZEZTFLN-LBPRGKRZSA-N 308.382 1.608 0 40 DDAB c1coc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 96226506 XNIIRZRBPMGPOA-QGZVFWFLSA-N 314.389 1.941 0 40 DDAB Cn1cnc2c1[C@@H](COCC1CC1)CN(CCN1CCCC1)C2 96044939 NIHGXXZNRPHYFS-MRXNPFEDSA-N 318.465 1.842 0 40 DDAB c1cncc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)c1 96054347 UYHYXKSCTDWULR-BBWFWOEESA-N 303.406 1.146 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 96161807 AIEKOWXSUFZTBT-AOOOYVTPSA-N 319.365 1.281 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)[C@@H]1CCOC1)CC2 96217809 YOBBFARPLHMBMJ-PBHICJAKSA-N 324.421 1.043 0 40 DDAB COCCN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O 96046808 MGTOTQROPSJDFB-UHFFFAOYSA-N 309.410 1.163 0 40 DDAB Cc1noc([C@H](NCc2nnnn2-c2ccccc2)C(C)C)n1 96493161 FWMALWWMQACDAD-CQSZACIVSA-N 313.365 1.841 0 40 DDAB O=C(N1CCOCC1)N1CCN(Cc2ccncc2Cl)CC1 96441387 OZBSTYDAUZYTOP-UHFFFAOYSA-N 324.812 1.305 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(C3CCCC3)C[C@H]2O1)N1CCCCO1 96207778 DOXSFFBDHHBSTM-CWRNSKLLSA-N 308.422 1.962 0 40 DDAB Cn1cccc1C(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96110645 GCSJTYIFZMNOGP-GASCZTMLSA-N 310.401 1.624 0 40 DDAB O=C(C[C@]12COC[C@H]1CN(C1CCC1)C2)NCc1cccnc1 96206404 CUYIUZPPBPAKLN-QAPCUYQASA-N 315.417 1.589 0 40 DDAB O=C(c1cscn1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257207262 BHALPIVVXNIRIQ-NSHDSACASA-N 320.374 1.113 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)CCCc2ccncc2)[C@H]1O 257259546 KYWKAOHLFYVOOS-BFYDXBDKSA-N 306.406 1.839 0 40 DDAB O=C(O)[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 43702517 SOBNTSFTZNENHA-LLVKDONJSA-N 318.156 1.848 0 40 DDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCCC[C@@H]2C(=O)O)c1 263465582 WOMANFUZLIFOOK-CQSZACIVSA-N 318.373 1.499 0 40 DDAB CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1sc(C)nc1C 287400541 DPZNCRBAKIGDNM-ZJUUUORDSA-N 318.420 1.634 0 40 DDAB COC[C@H]1CCn2nccc2CN1C(=O)c1cc(C2CC2)on1 585098093 UCWOUOOHDHHKQM-CYBMUJFWSA-N 316.361 1.810 0 40 DDAB CCc1nc(=N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)s[nH]1 585142486 XDMQFAFLGKMEAU-IUCAKERBSA-N 321.406 1.698 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 585182023 FDQFPBGHTDRALT-LBPRGKRZSA-N 302.382 1.451 0 40 DDAB Cn1nc2c(c1NC(=O)CNC(=O)NCC1CCCC1)CCC2 50610759 IIUIMPSBLPRILU-UHFFFAOYSA-N 319.409 1.337 0 40 DDAB OCCn1cc(Nc2ccc3nnc(-c4ccccc4)n3n2)cn1 60381322 YWOSOEKCHJLCIA-UHFFFAOYSA-N 321.344 1.724 0 40 DDAB OC[C@@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 69897035 TUMCCEGHKOOBJG-NSHDSACASA-N 303.318 1.422 0 40 DDAB Cc1csc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1 1565522742 ZAPDDMUYNXNMIV-UHFFFAOYSA-N 320.349 1.475 0 40 DDAB O=C(NCC1(O)CCOCC1)c1ccccc1C(F)(F)F 70638892 CLMXREJLFRJETN-UHFFFAOYSA-N 303.280 1.977 0 40 DDAB CCC(=O)C1(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 516848613 RJBGCURCSOYRPP-DVOMOZLQSA-N 309.406 1.931 0 40 DDAB CCc1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)ncn1 592455189 KHUYRFYOLWAOMB-ZDUSSCGKSA-N 304.394 1.114 0 40 DDAB O=S1(=O)CCCN1CCN[C@@H]1CCCc2sccc21 89519313 JZEFXIWHBHXUHT-GFCCVEGCSA-N 300.449 1.751 0 40 DDAB CSc1ncc(Br)c(N2CCC(O)CC2)n1 1889057271 GCGVJYPOZHPJLJ-UHFFFAOYSA-N 304.213 1.922 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 5558124 JJPNGTUFVCGBKM-JXUBOQSCSA-N 323.326 1.127 0 40 DDAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1cn(C)nc1C 12362561 DBHLQGVDOQUHIH-UHFFFAOYSA-N 321.402 1.879 0 40 DDAB O=C(NC(=O)c1cc(Cl)nc(Cl)c1)NN1CCOCC1 163010 GFICMJFLOONEAL-UHFFFAOYSA-N 319.148 1.075 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)Cn3cccn3)C2)nn1 225462638 LTUSNOWOEBHOHX-CYBMUJFWSA-N 301.350 1.052 0 40 DDAB Cc1n[nH]cc1CN1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643550999 CZIWSGZVGQXVLV-KBAYOESNSA-N 313.401 1.838 0 40 DDAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(N)=O 5786026 BLZFFXJSKOCGJV-GXSJLCMTSA-N 324.764 1.106 0 40 DDAB Cn1cc(S(=O)(=O)N2CC3(CC(c4ccccc4)C3)C2)cn1 1776001005 UKUPKWVVPMNASB-UHFFFAOYSA-N 317.414 1.988 0 40 DDAB COCCC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841110 WNTFQOFGFGXNLN-QGZVFWFLSA-N 318.373 1.057 0 40 DDAB Cc1nc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)cs1 1565545654 MEXXWFAYEZIMKL-UHFFFAOYSA-N 319.430 1.972 0 40 DDAB O=C(CN1CSCC1=O)N1CC=C(c2ccccc2)CC1 30995499 XRHYVQNLNKAYNP-UHFFFAOYSA-N 302.399 1.835 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 40215866 JPTKNYVLQDPVLQ-UHFFFAOYSA-N 313.766 1.246 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)n1nnc(-c2cccc(F)c2)n1 31735078 KVOGXMGAQWYYGI-CYBMUJFWSA-N 315.283 1.693 0 40 DDAB C[C@H](NC(=O)CN1CCSCC1)c1ccc2c(c1)OCO2 40540640 OBAUNMYSTDXCOG-NSHDSACASA-N 308.403 1.641 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2cccnc2OCC)CC1 32845608 GCPWVGXUVZZFPP-UHFFFAOYSA-N 321.377 1.831 0 40 DDAB CCOc1ccc2oc(C(=O)OCC(=O)NC(C)=O)c(C)c2c1 2636612 MJSPMVZQVXCFAZ-UHFFFAOYSA-N 319.313 1.959 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 406767 XOKXOSXQHKFOAG-NIFPGPBJSA-N 316.744 1.792 0 40 DDAB Cc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1 2652128 SJYKMCZHLIONDI-UHFFFAOYSA-N 308.341 1.416 0 40 DDAB O=C(CCc1nc(Cc2ccccc2)no1)NC[C@H]1CCOC1 46787183 GMBJOHNRQONBMS-CQSZACIVSA-N 315.373 1.746 0 40 DDAB O=C(NCCNc1ncccn1)c1cncc(Br)c1 32913214 DQCQPONVXIZGPE-UHFFFAOYSA-N 322.166 1.476 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)o1 32940473 ZEGAGYQJGOIWCI-JTQLQIEISA-N 320.370 1.779 0 40 DDAB CN1C(=O)[C@@H]2[C@@H](C1=O)N(Cc1ccccc1)N[C@H]2c1ccccc1 100896249 OMWIXGLNODRCFR-ULQDDVLXSA-N 321.380 1.732 0 40 DDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCSCC1 53819438 DBHDSGPBIUKWEC-UHFFFAOYSA-N 304.419 1.854 0 40 DDAB CCc1ccc(-c2noc(CN3CCN(CCO)CC3)n2)cc1 22943424 UNUAJJJWGVZPCK-UHFFFAOYSA-N 316.405 1.409 0 40 DDAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nc[nH]n2)CC1 23143077 SCMLNXDTCMGBLZ-UHFFFAOYSA-N 313.361 1.604 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2nccs2)CC1 28963518 HTZJZUMOPAKUMZ-ZDUSSCGKSA-N 320.393 1.631 0 40 DDAB CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)N1CCOCC1 84223791 QBOMLDRIBDKTCL-AWEZNQCLSA-N 315.373 1.535 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)NC(C2CC2)C2CC2)no1 84280829 ODGBXUFZOUKZJS-ZDUSSCGKSA-N 304.394 1.820 0 40 DDAB CCc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)nc(C)n1 97137630 OZFFVECPSLRLLW-UHFFFAOYSA-N 309.395 1.926 0 40 DDAB CNC(=O)C1(NC(=O)CNC(=O)CC(C)(C)C)CCCCC1 56099890 ZKYUKUQFCYQTOC-UHFFFAOYSA-N 311.426 1.104 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)c1cn2ccccc2n1 12603617 BXNHWHKLZDQTGC-UHFFFAOYSA-N 305.301 1.562 0 40 DDAB COC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)OC 48264713 SNMYMWFKKKHFJN-SECBINFHSA-N 315.753 1.657 0 40 DDAB O=C(Nc1nnc(-c2ccco2)s1)[C@@H]1CCS(=O)(=O)C1 48237427 ZNCCAOBXMWQLED-SSDOTTSWSA-N 313.360 1.171 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(OC[C@H]2CCCO2)cc1 58226777 KRHDMDURNUGUSD-HUUCEWRRSA-N 318.373 1.253 0 40 DDAB Cc1cc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)no1 44916673 SPKCYCNLLDILIA-UHFFFAOYSA-N 322.386 1.800 0 40 DDAB CC(C)(C)n1ncc(C(=O)N2CCNC(=O)C2)c1C(F)(F)F 44959873 NPQXSCSXMIYBQP-UHFFFAOYSA-N 318.299 1.229 0 40 DDAB N[C@H](CCC(=O)NC(=O)c1ccc2ccccc2c1)C(=O)O 20231646 GJMSSCQMFSUWJD-CYBMUJFWSA-N 300.314 1.288 0 40 DDAB COc1c(CNC[C@H]2COc3ccccc3O2)c(C)nn1C 58305256 UAJVKIWYCYIQDS-LBPRGKRZSA-N 303.362 1.667 0 40 DDAB Cc1ccccc1CS(=O)(=O)N[C@H]1CCc2ncnn2C1 113298357 OMLYRVAFVDJOLM-ZDUSSCGKSA-N 306.391 1.021 0 40 DDAB O=C(O)C[C@H](NCc1ccco1)C(=O)OCCc1ccccc1 2212112 MDBZPIOJVFHPOL-HNNXBMFYSA-N 317.341 1.998 0 40 DDAB CC1CCC(N2C[C@H](C(=O)OCC3(C)COC3)CC2=O)CC1 67002436 XZDXRWOGIMZRHT-ROKHWSDSSA-N 309.406 1.993 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 28431904 OIXRXKGXYURPIV-MRVPVSSYSA-N 317.267 1.440 0 40 DDAB COCCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 59054183 CKUUIWMJBKEXMF-STQMWFEESA-N 322.409 1.853 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 3477560 ZBGKLXRMMOMFET-HUUCEWRRSA-N 322.380 1.875 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCN2CCSC2=O)n1 48406690 IULQNYZPAGANRI-LLVKDONJSA-N 324.450 1.811 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(CCc3ccccn3)CCO2)n1 69562747 ULFNSRUKLBQJJY-QGZVFWFLSA-N 300.406 1.838 0 40 DDAB C[C@@H](C(=O)N1CCCN(Cc2cscn2)CC1)n1cccn1 69773884 XKWUVOIZUHAOBG-ZDUSSCGKSA-N 319.434 1.635 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)N1 69873132 AZDOADMNXWFDEH-NWDGAFQWSA-N 302.330 1.357 0 40 DDAB CC(C)(C)OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 4475952 KNDYMJUMZGQECC-INIZCTEOSA-N 304.346 1.795 0 40 DDAB CCCOc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c1 4424102 BQLKLTYIUGDQCV-AWEZNQCLSA-N 313.361 1.494 0 40 DDAB Cc1cc(C(=O)NC2(C(N)=O)CC2)c(C)cc1Br 92378491 SGAQNTZBAQQWQR-UHFFFAOYSA-N 311.179 1.814 0 40 DDAB O=C(NC1CC1)C1CCN(Cn2c(=O)oc3ccccc32)CC1 65613610 BSGVSAWSFOUCET-UHFFFAOYSA-N 315.373 1.543 0 40 DDAB COc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1C 7145683 NTWRRNHMPMHSRM-ZDUSSCGKSA-N 307.346 1.456 0 40 DDAB CC(C)CCNC(=O)NC(=O)Cn1c(=O)cnc2ccccc21 7737867 NMQSHXCQSNZRQY-UHFFFAOYSA-N 316.361 1.268 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 7979723 SVAZZHLASICIKW-SSDOTTSWSA-N 313.741 1.313 0 40 DDAB Brc1ccccc1-n1nnnc1Cn1ccnc1 68966737 OELSAPXZZPUOJG-UHFFFAOYSA-N 305.139 1.670 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 91292870 YRWRHJBUQHFYEA-MRVPVSSYSA-N 317.139 1.093 0 40 DDAB COC[C@H](C)n1c(NCCN(C)C)nc2ccccc2c1=O 69191522 VTHVZMRFBJSCIG-LBPRGKRZSA-N 304.394 1.577 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cncn2)C1 70020967 DHHMOUVDKKROJN-PWSUYJOCSA-N 304.354 1.001 0 40 DDAB CCc1nnc2n1CCN(Cc1nc3c(F)cccc3[nH]1)C2 70011588 FTAWYIYGHGIYRL-UHFFFAOYSA-N 300.341 1.872 0 40 DDAB CCc1cc2c(=O)n(NC(=O)c3cnccn3)cnc2s1 8344632 WRBRBOTZVJZVJT-UHFFFAOYSA-N 301.331 1.194 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CS(=O)(=O)c1ccccc1 19825793 VTSXEHHFJPDWTO-LLVKDONJSA-N 322.411 1.672 0 40 DDAB COc1ccc(NC(=S)NCCCN2CCN(C)CC2)cc1 19831732 QBJXAAJUKJZEHQ-UHFFFAOYSA-N 322.478 1.619 0 40 DDAB Cn1nc2c(cc1=O)CN(C[C@@H](O)c1ccccc1F)CC2 72302239 IYWSWJUPBYICLP-OAHLLOKOSA-N 303.337 1.011 0 40 DDAB C[C@@H]1CC(C)(C)C[C@](CO)(NCCC(=O)N2CCOCC2)C1 96444928 VAXSEYTUHIDGRD-RHSMWYFYSA-N 312.454 1.402 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)C(C)C)c1C 9579141 CUUOAOHHVDOSJU-UHFFFAOYSA-N 324.377 1.832 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN2CCCC[C@H]2C1 71839921 OHRGEFPAHOHTKI-HNNXBMFYSA-N 304.438 1.666 0 40 DDAB CCS(=O)(=O)NCCSc1ccc2[nH]c(=O)oc2c1 71890083 ZKUXDWZOFMUMIF-UHFFFAOYSA-N 302.377 1.153 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCC[C@H]1Cn1cccn1 71866614 PQXZQVXNSVMBSX-ZDUSSCGKSA-N 310.361 1.539 0 40 DDAB CS(=O)(=O)/N=C(\O)c1ccc(-c2nc(C3CC3)no2)cc1 83763037 ODFDRNYUOAUUSR-UHFFFAOYSA-N 307.331 1.878 0 40 DDAB CNC(=O)c1ccc(CNc2ncnc3nc(N)ccc23)cc1 83882302 CQLIQKQFAZWEQK-UHFFFAOYSA-N 308.345 1.579 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 72269063 MGBRHVWXXDVHRZ-DLBZAZTESA-N 302.418 1.595 0 40 DDAB Cc1csc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)n1 72273735 GBLMQEXRDDRHSK-JTQLQIEISA-N 322.390 1.057 0 40 DDAB C[C@H]1CCCN(C(=O)CN2CCn3c(nnc3C3CC3)C2)C1 72268407 DKQQUDCFKUOWHN-LBPRGKRZSA-N 303.410 1.230 0 40 DDAB Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCNC(=O)C1 95352990 SNZXHOARAYEGDA-UHFFFAOYSA-N 318.808 1.825 0 40 DDAB COc1ccc2c(c1)CN([C@@H](C)C(=O)Nc1ncccn1)CC2 95430181 QLVIJVKOGXGNIJ-LBPRGKRZSA-N 312.373 1.871 0 40 DDAB Cc1[nH]ncc1C(=O)N1CCN(c2ccncc2Cl)CC1 95437761 KHGSGGQZFKNSFB-UHFFFAOYSA-N 305.769 1.729 0 40 DDAB COc1ccc(Br)c(CC(=O)N2CC(O)C2)c1 95427281 HWBKENMQOOTBDU-UHFFFAOYSA-N 300.152 1.203 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CCN[C@H](C)C1 88059020 NTYCIBIMJJHISM-SECBINFHSA-N 300.200 1.704 0 40 DDAB O=C(N[C@H]1CCCc2cn[nH]c21)c1cn(-c2ccccc2)nn1 95969394 UDXWLZGFRIHGFQ-ZDUSSCGKSA-N 308.345 1.798 0 40 DDAB Cc1cc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)ccn1 95981938 XZZALAXBOMWWPS-OAHLLOKOSA-N 306.410 1.868 0 40 DDAB Cn1cc(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)cn1 74392093 XESCHEYPCJYQKY-UHFFFAOYSA-N 312.377 1.050 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)CCCO)c1C 89540447 SANXOFBSUXCNQU-JTQLQIEISA-N 315.391 1.221 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 89930533 OSRCYMVMKBLHNG-HNNXBMFYSA-N 317.389 1.774 0 40 DDAB Cc1cccnc1NC(=O)[C@@H](C)Oc1ccc(-n2cnnn2)cc1 27976142 WBTKAPLKNKGVLS-GFCCVEGCSA-N 324.344 1.772 0 40 DDAB CC(C)c1cc(C(=O)N2CCNCCNCC2)nn1C(C)(C)C 1548584962 OPODIVWCZKWMAI-UHFFFAOYSA-N 321.469 1.397 0 40 DDAB COCc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)no1 1548976802 LWPKOUGAQTWKLD-BXKDBHETSA-N 306.322 1.146 0 40 DDAB CCCC(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306137162 QNELQVFBEGEFAR-ZDUSSCGKSA-N 315.435 1.229 0 40 DDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccs1 71979990 XYXBSTVYYYIMMH-JTQLQIEISA-N 310.375 1.096 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc2sncc2c1 188232350 JTCBJUDZBLKKHF-UHFFFAOYSA-N 303.343 1.774 0 40 DDAB CCOC(=O)c1c(I)c(N)nn1CC 72339497 FTPADGSXGLRPEH-UHFFFAOYSA-N 309.107 1.267 0 40 DDAB C[C@@H](C(=O)NCc1ccccn1)n1cc(Br)cn1 32611627 INVLTGFREPCIOW-VIFPVBQESA-N 309.167 1.918 0 40 DDAB O=C(NCc1cccnc1)c1coc(NC(=O)c2ccco2)n1 62023029 HLHVCJJLSLDFKH-UHFFFAOYSA-N 312.285 1.845 0 40 DDAB CC(C)c1ccc(OCC(=O)NCCn2cccnc2=O)cc1 669485352 ZLXABTMZXWHXAC-UHFFFAOYSA-N 315.373 1.562 0 40 DDAB CC1(C)OCC2(CO1)CN(C(=O)Cn1cnc3ccccc31)C2 70971263 GTEFSKUHJCKNFY-UHFFFAOYSA-N 315.373 1.648 0 40 DDAB NCC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72382960 KUGDXILIFOWILG-NSHDSACASA-N 303.391 1.904 0 40 DDAB O=C(CC1CCCC1)N1CCn2c(nnc2C2CCNCC2)C1 72372121 OLROUOIIKBHUMM-UHFFFAOYSA-N 317.437 1.668 0 40 DDAB O=C(COC1CCNCC1)Nc1n[nH]c2c(Cl)cccc12 566004195 GDUUAWVWGAUUHQ-UHFFFAOYSA-N 308.769 1.923 0 40 DDAB Cc1cc(C)n(-c2ccc(Cn3cnnc3[S@](C)=O)cc2)n1 78995728 BKPWRHRVNZAPHV-JOCHJYFZSA-N 315.402 1.866 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@@H](Oc2cccnn2)C1 225411313 WSCFPBWMJNOMGH-GFCCVEGCSA-N 317.320 1.674 0 40 DDAB CC(C)(CNC(=O)c1ccn(-c2ccccc2F)n1)C(=O)O 195542161 AAKRAMWUCCJOTH-UHFFFAOYSA-N 305.309 1.852 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)Cc1c(F)cccc1F 88809219 GWCOKQPNQKFEQP-UHFFFAOYSA-N 306.334 1.210 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 96414731 JBAYQFIABVMBMR-KBPBESRZSA-N 304.390 1.736 0 40 DDAB C[C@@H](CC(=O)NCCCS(N)(=O)=O)c1cccc(F)c1 96407497 QJBXUJYKOAFZOI-JTQLQIEISA-N 302.371 1.114 0 40 DDAB Cc1cccc([C@@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)c1C 96423785 CGFLCLZLMLWMHO-HNNXBMFYSA-N 324.446 1.858 0 40 DDAB Cc1cccc(SCCNS(=O)(=O)c2cnn(C)c2)c1 96430151 JSTOJEYNNSFQCV-UHFFFAOYSA-N 311.432 1.799 0 40 DDAB CCc1noc(C)c1CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O 96489856 KOERMVDUTWFWQZ-HNNXBMFYSA-N 317.349 1.246 0 40 DDAB C[C@H](CCNC(=O)Cc1ccc(O)cc1Cl)[S@](C)=O 96486968 CBVNIPCGEZDRPL-AYLIAGHASA-N 303.811 1.861 0 40 DDAB COCCC(=O)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107003 HUDULYKORIEZTB-CQSZACIVSA-N 320.389 1.647 0 40 DDAB CC[C@](Br)([C@@H](O)c1cccc(N)c1)S(C)(=O)=O 96521516 KXXGPDMEMDSYRQ-WDEREUQCSA-N 322.224 1.848 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccc(F)cc1 96181813 IHXXNZRWLFINRS-LSDHHAIUSA-N 306.337 1.346 0 40 DDAB CC(C)NC(=O)N1Cc2nccn2C[C@H](CN(C)C(C)C)C1 96188340 UBKIJZVVIJCPDF-AWEZNQCLSA-N 307.442 1.773 0 40 DDAB CO[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1ccncc1 96200744 UGMJDFIUHQAKOL-GJZGRUSLSA-N 301.346 1.850 0 40 DDAB O=C(Cc1ccsc1)N1CC[C@]2(CCN2c2ncccn2)C1 96228705 FFWJHZODIGOTKW-INIZCTEOSA-N 314.414 1.962 0 40 DDAB C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(-c2nnnn2C)c1 96427928 ASUIOZVGSPGPFV-GWCFXTLKSA-N 321.406 1.344 0 40 DDAB O=C1CCCN1[C@@H]1CN(c2nncs2)C[C@@H]2CCCO[C@@H]21 97953441 GTWGQXSOQNKDLU-LOWVWBTDSA-N 308.407 1.144 0 40 DDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1cccs1 96447573 IQONOTFGCVELSX-UHFFFAOYSA-N 322.430 1.849 0 40 DDAB CCCCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O 243996214 SFQAJRWBYCZZER-UHFFFAOYSA-N 304.456 1.887 0 40 DDAB CN1CCC[C@@H]1C(=O)N1CCC(c2ccn3nccc3n2)CC1 257329389 XJUNXAFKPKLKKT-OAHLLOKOSA-N 313.405 1.530 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 257228136 FSLWSEHUSIFPAA-HNNXBMFYSA-N 313.405 1.909 0 40 DDAB Cc1cnc(C[C@H]2COCCN(c3cc(C)nc(N)n3)C2)cn1 257344763 ZYPBKMGWRXCHFJ-CYBMUJFWSA-N 314.393 1.161 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 257264952 LWQPDIZAIRRLEP-JKSUJKDBSA-N 315.417 1.874 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2ccncc2)C1 257239085 HNWXRYWPPKBXKO-OAHLLOKOSA-N 301.346 1.829 0 40 DDAB CCOCC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn21 253600982 FZOQSSYDRSAKSR-AWEZNQCLSA-N 315.377 1.605 0 40 DDAB COc1ccc(CC(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)cc1F 257252919 JWRJRWMOTUKOKD-XNRPHZJLSA-N 311.353 1.421 0 40 DDAB CCOCC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257327357 XBBGBSPKLKYLDH-UHFFFAOYSA-N 304.350 1.177 0 40 DDAB CCCS(=O)(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257323910 WMIRWSYXZFLWKX-GJZGRUSLSA-N 313.419 1.631 0 40 DDAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cn2cccc2)CC1 96374525 QGFHWVSPGOHEHE-UHFFFAOYSA-N 312.435 1.550 0 40 DDAB O=C(Nc1nc2ccccc2s1)N[C@H]1C=CS(=O)(=O)C1 575422349 BJSYGNDDBYSYDG-QMMMGPOBSA-N 309.372 1.729 0 40 DDAB CC[C@](C)(O)Cc1cn([C@@H](Cc2ccccc2)C(=O)OC)nn1 585141676 FCFFIYFQVKAYCC-RDJZCZTQSA-N 317.389 1.938 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCc1ccc(C)o1 585286945 OSFIOGUOJJIBCX-FMKPAKJESA-N 311.378 1.408 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccc(F)cc1F 585288020 MVDJDRKRVADGNR-MCIONIFRSA-N 315.316 1.466 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)cn1 48343002 PHHZVHAZFGOJSR-TZMCWYRMSA-N 319.405 1.647 0 40 DDAB Cc1ncsc1CN(C)C[C@H]1CCCN(S(C)(=O)=O)C1 95409811 AIHMAIBJDULAOK-GFCCVEGCSA-N 317.480 1.555 0 40 DDAB CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C)CC1 19446805 KGKHQYZEHIZGMH-GJZGRUSLSA-N 322.457 1.187 0 40 DDAB CNC(=O)NC(=O)COC(=O)/C=C/c1c(F)cccc1Cl 5564123 USSYBSKIGIQBGI-AATRIKPKSA-N 314.700 1.491 0 40 DDAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CC[C@H](C2CC2)C1 534283754 FQXUWLRJJFBHJQ-LBPRGKRZSA-N 313.357 1.361 0 40 DDAB O=C(O)/C=C\C(=O)N1CCN(C/C=C/c2ccccc2)CC1 33341932 QOOIMMZWEPKWFN-KNOZVELGSA-N 300.358 1.485 0 40 DDAB CN(CC(=O)Nc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 7061054 GHGMEFYNFZOXAH-SNVBAGLBSA-N 316.810 1.397 0 40 DDAB COc1cc(N2CCN(c3ncnc(C)c3C)CC2=O)ccn1 1888859872 CATAYAKVHNJRKQ-UHFFFAOYSA-N 313.361 1.350 0 40 DDAB COc1cc(CC(=O)NCc2ccnn2C)cc(OC)c1OC 30651796 HLNDEHBHTOESBB-UHFFFAOYSA-N 319.361 1.305 0 40 DDAB O=C(CCn1cccn1)NC[C@@H](c1ccco1)N1CCCC1 40480661 FITIJHJATYDTAP-AWEZNQCLSA-N 302.378 1.820 0 40 DDAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccn1 37117530 YYMQGIOKEIYYRL-INIZCTEOSA-N 311.385 1.712 0 40 DDAB CCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841158 YNSZWGZGIWWCKP-KRWDZBQOSA-N 302.374 1.821 0 40 DDAB CC(C)(C)C(=O)NC1CCN(c2ncnc3n[nH]cc23)CC1 2086968246 YNLYNJUSOJWGDS-UHFFFAOYSA-N 302.382 1.484 0 40 DDAB O=C(NCc1cccs1)N1CCCN([C@@H]2CCOC2)CC1 1565523732 ZABKESPBWAXPBF-CYBMUJFWSA-N 309.435 1.754 0 40 DDAB CC(C)NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 16847332 LDZSRCMUJDHGTI-UHFFFAOYSA-N 303.406 1.470 0 40 DDAB CC(C)CCNC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055714594 KPLLSZQBRFMMQM-ZDUSSCGKSA-N 320.437 1.746 0 40 DDAB Cc1nccc(N2CC[C@@](F)(C(=O)Nc3cccnc3)C2)n1 2086861099 HRPOLDLSFCQNDL-HNNXBMFYSA-N 301.325 1.737 0 40 DDAB Cc1ccc2nc(NC(=O)Cn3ncccc3=O)sc2c1 38547167 SCSMTOFEKYHOSA-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB C[C@@H](CNS(=O)(=O)N1CCCCCC1)CN1CCCCC1 40156757 JGEQOJRHSYXWKX-HNNXBMFYSA-N 317.499 1.819 0 40 DDAB CNC(=O)C1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 31027702 JNTCLYZPOHHCKH-UHFFFAOYSA-N 319.361 1.083 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2ccccn2)CC1 40474120 CHCUWSSBXIQAHD-UHFFFAOYSA-N 314.389 1.573 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)o1 31604037 NIGZHERBVIVXEH-UHFFFAOYSA-N 312.391 1.808 0 40 DDAB Cc1nnc(NC(=O)NC[C@H](O)COc2ccccc2)s1 40526491 NJPVQMNPGLOLAL-JTQLQIEISA-N 308.363 1.408 0 40 DDAB COCCCN1CCN(Cc2ccc3c(c2)OCCO3)CC1 51127290 LSUYDKBLFMGAQC-UHFFFAOYSA-N 306.406 1.612 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NCCN(C)C)c2C)cc1Cl 51317849 ROISLFITETXLPJ-UHFFFAOYSA-N 321.812 1.829 0 40 DDAB Cc1cccn2c(=O)c3cc(C(=O)NCC(C)C)n(C)c3nc12 387249 JHBHHPQLKLMNSN-UHFFFAOYSA-N 312.373 1.880 0 40 DDAB Cc1cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nc(N)n1 52471098 HFBJGNKHZMOIIB-UHFFFAOYSA-N 320.784 1.311 0 40 DDAB Cc1nc(C(=O)O[C@H]2C[C@H](C)OC2=O)nn1-c1ccc(F)cc1 32828768 OXCLNNBKLCUQKH-UFBFGSQYSA-N 319.292 1.576 0 40 DDAB NC(=O)CNC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 69656754 NGJCOTAQRCSUTJ-KRWDZBQOSA-N 309.369 1.392 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2nnc(CC(C)C)s2)CC1 21745975 CINVYZMFHZEIRI-UHFFFAOYSA-N 310.423 1.934 0 40 DDAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(N)=O)CCO1 29892244 NCZBSRDLOVQMRR-VIFPVBQESA-N 312.753 1.065 0 40 DDAB COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)NC(C)C)cc1 52714442 PIXIGSIVMUGUIL-OAHLLOKOSA-N 319.405 1.623 0 40 DDAB O=C(CCCn1cncn1)N1CCC[C@H]1c1noc(C2CC2)n1 76044619 SOKDENVWEPVGSC-LBPRGKRZSA-N 316.365 1.682 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@@H]2c2noc(C)n2)ccc1=O 76043233 JWJPAADKZBGQIJ-GFCCVEGCSA-N 317.349 1.322 0 40 DDAB O=C(NCCCc1ccc(Cl)cc1Cl)c1n[nH]c(=O)[nH]1 76093898 IHLILQRQPOMIRU-UHFFFAOYSA-N 315.160 1.767 0 40 DDAB Cc1cnc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cn1 21832467 OOLKUOIVDOYAIS-UHFFFAOYSA-N 309.322 1.580 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2ccccc2)n1 78548806 RRLINDJWMZAPSD-OAHLLOKOSA-N 312.373 1.531 0 40 DDAB O=C(Nc1nnn[nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1 78986519 ZNNSOFHEGXBEGS-LBPRGKRZSA-N 304.329 1.332 0 40 DDAB COCCn1cc(CCC(=O)Nc2nc[nH]n2)c2ccccc21 79478149 LKDQVBZEJPEGDI-UHFFFAOYSA-N 313.361 1.977 0 40 DDAB CC1(C)CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1(C)C 79912363 SEWFOIXUVYIUDI-UHFFFAOYSA-N 301.346 1.477 0 40 DDAB CCOC(=O)c1c(N)n([C@H](C)CO)c2nc3ccccc3nc12 3313526 NMTCDIHBEFKKEU-SECBINFHSA-N 314.345 1.897 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 4019414 DIEFOYIXBBLDHW-QPSCCSFWSA-N 301.342 1.992 0 40 DDAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@H]3C2=O)c1 4121637 QHRTZOKZCQCLCG-SFDCBXKLSA-N 313.309 1.306 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1 555131 ZJWRCJRNWSYVFL-UHFFFAOYSA-N 304.371 1.919 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2ccc(O)nn2)CC1 540056 XMZFABBYWOSMEK-UHFFFAOYSA-N 314.345 1.153 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)NCCCOC(C)C)c1 6345577 ZNKMYGDKAMNTSL-UHFFFAOYSA-N 317.407 1.797 0 40 DDAB CC[C@H]1CN(c2nccnc2N2CCO[C@H](CC)C2)CCO1 97144426 WADJDLFTAYQMCX-OKILXGFUSA-N 306.410 1.707 0 40 DDAB CS(=O)(=O)NCCC(=O)N1CCC[C@H]1c1ccsc1 46913920 RRDHZHYIVGAABT-NSHDSACASA-N 302.421 1.351 0 40 DDAB COC(=O)[C@H](Cc1ccc(F)cc1)NCCn1cc(C)cn1 97166083 FFPWMCNKHGZUFB-HNNXBMFYSA-N 305.353 1.705 0 40 DDAB Cc1nc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cs1 24020738 MOJKXVYWIYRYQG-UHFFFAOYSA-N 315.354 1.859 0 40 DDAB CCn1cc([C@@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C)n1 101615635 GWDKSYUZXOTWAF-GIEZYDSUSA-N 317.389 1.912 0 40 DDAB CCC[C@@H](NC(C)=O)C(=O)NCc1ccc(-n2cccn2)nc1 55731905 ICJPGICDLOTZSD-CQSZACIVSA-N 315.377 1.188 0 40 DDAB Cn1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 25343198 LPVLQKQMVKDYDB-ZDUSSCGKSA-N 314.345 1.790 0 40 DDAB C[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)[C@@H]1CCCO1 26400969 CXMGJESCLJUDCT-AAEUAGOBSA-N 306.362 1.825 0 40 DDAB CC(C)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 26712585 JRSNGTDXJOWVRX-UHFFFAOYSA-N 314.315 1.674 0 40 DDAB COCCNC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57522217 ZRNZNPJJGQLIEJ-UHFFFAOYSA-N 319.336 1.120 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C)OCO2 62001819 WHRMSMCHROEEOW-CHWSQXEVSA-N 319.313 1.913 0 40 DDAB biogenic O=C(NC[C@@H]1CCOC1)c1nc(N2CCCCC2)ncc1Cl 44519915 ODRICLUCPOXSGD-NSHDSACASA-N 324.812 1.887 0 40 DDAB Cc1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1-n1cnnn1 44893787 PNAFWXVUXXNPBR-UHFFFAOYSA-N 319.328 1.521 0 40 DDAB O=C(CC1(C(=O)NC2CCCC2)CCCC1)N1CCOCC1 58296130 PBYIWIHBAXPQTQ-UHFFFAOYSA-N 308.422 1.855 0 40 DDAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN2CCCC[C@H]12 58300276 OZWGONZLTORFBX-BZUAXINKSA-N 321.465 1.767 0 40 DDAB Cn1c(CN2CCSc3ccccc32)cc(=O)n(C)c1=O 10519968 LPRNKEVKOAUQSI-UHFFFAOYSA-N 303.387 1.196 0 40 DDAB COC(=O)CN1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)OC 20220529 SMEJGHYJWUJMOH-CQSZACIVSA-N 302.330 1.241 0 40 DDAB biogenic,in-vitro Cc1cccc(C)c1OCCNC(=O)CNC(=O)c1ccco1 36391435 IFXWDQFBHDGRHC-UHFFFAOYSA-N 316.357 1.821 0 40 DDAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCOc1ccccc1 11185364 MFOSPCBIMAVHHQ-GFCCVEGCSA-N 305.378 1.374 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)Nc1nncs1 45829318 IUQOQDOTDDEDMU-UHFFFAOYSA-N 302.319 1.554 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1cn(C)nc1-c1ccncc1)CC2 69976181 VSYFGSLVFMADTH-HNNXBMFYSA-N 323.404 1.487 0 40 DDAB CCCCS(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 49334849 QACDQSFLWOMJMJ-LLVKDONJSA-N 319.448 1.871 0 40 DDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(F)cc2)n(C)c1=O 4173627 LKMOVYWEDIGANL-UHFFFAOYSA-N 322.727 1.275 0 40 DDAB biogenic Cc1ccccc1CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 70754628 DCNVRNIKKKQUOW-UHFFFAOYSA-N 312.373 1.711 0 40 DDAB O=C(NC1CCN(C2CC2)CC1)c1cn(-c2ccccc2)nn1 65429271 ICXGYZGMDGUJPQ-UHFFFAOYSA-N 311.389 1.624 0 40 DDAB COc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(OC)c1 28224849 IAOFHXIJKOETPD-UHFFFAOYSA-N 303.362 1.984 0 40 DDAB CCCOc1ncccc1CNC(=O)NC[C@H]1COCCO1 65562329 MBHCMJFMVPFEKK-ZDUSSCGKSA-N 309.366 1.085 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2CCCO2)CC1 65594018 CKFUEPWVYGMGCR-TZMCWYRMSA-N 306.410 1.805 0 40 DDAB CONC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 65590031 HEQOAVGTKJTQBX-UHFFFAOYSA-N 308.153 1.144 0 40 DDAB CC(C)COC(=O)N1CCN(Cc2cnc3cnccn23)CC1 92755936 PANUSPKVWLXVLL-UHFFFAOYSA-N 317.393 1.640 0 40 DDAB CCn1nc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1C 14227636 VQRJMOOAKJEFEM-UHFFFAOYSA-N 311.411 1.671 0 40 DDAB Cc1nc(CC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cs1 65466070 DTFVUZLBRPVPNE-NSHDSACASA-N 319.434 1.840 0 40 DDAB COc1ccc(OCCSCc2nc(N)nc(N)n2)cc1 9049936 KWOXTTFFNXNOFT-UHFFFAOYSA-N 307.379 1.357 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)C1 28576407 DQHFUSVUXSHUTD-CHWSQXEVSA-N 315.377 1.688 0 40 DDAB COc1cc([C@H](C)NC(=O)c2cc[nH]n2)ccc1OCCO 84651507 XJZMOCJYXMDORE-JTQLQIEISA-N 305.334 1.280 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 7976922 GLIRYDPNXQLHFZ-CQSZACIVSA-N 308.353 1.439 0 40 DDAB Cc1ccc(Cc2cnc(NC(=O)Cn3cnnn3)s2)cc1 7988493 BFPNMVHVFPPJJK-UHFFFAOYSA-N 314.374 1.668 0 40 DDAB CN(C)C(=O)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 8073799 HBZQSSAEXOHCQK-LBPRGKRZSA-N 303.391 1.930 0 40 DDAB Cc1ccc([C@@](C)(O)CNC(=O)C2(O)Cc3ccccc3C2)o1 81833638 DDXZPITXFYRSPB-KRWDZBQOSA-N 315.369 1.442 0 40 DDAB CCCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O 9318272 XBFOLKYRFDFAEK-UHFFFAOYSA-N 320.345 1.781 0 40 DDAB biogenic O=S(=O)(c1cc(F)ccc1N1CC[C@H](O)C1)C(F)(F)F 69417026 QWCZCRUBUIOZBM-QMMMGPOBSA-N 313.272 1.690 0 40 DDAB Cc1nn(C)c(C)c1C(=O)OCc1nc(N)c2ccccc2n1 9338976 SODPQYQOOFBIMJ-UHFFFAOYSA-N 311.345 1.919 0 40 DDAB O=C(NCCC(=O)N1CCCC1)NCCc1cccc(O)c1 69562715 OXCVQYPPCJHRDO-UHFFFAOYSA-N 305.378 1.246 0 40 DDAB CCN(C)CCNC(=O)NCc1cccnc1N1CCCCC1 69580780 WJJIDTLMSJWXQV-UHFFFAOYSA-N 319.453 1.823 0 40 DDAB CN1CCC[C@@H](CSc2nnc(SCC(N)=O)s2)C1 69538417 HXEAYOQLCJTCLL-MRVPVSSYSA-N 318.493 1.549 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccc(C)cc3S2)CC1 71794338 CZGRZUMCNNUEBH-HNNXBMFYSA-N 304.415 1.703 0 40 DDAB CCn1c(SCc2cnn(C)c2)nnc1-c1cnccn1 95421067 JOLACCSSYTTWCS-UHFFFAOYSA-N 301.379 1.781 0 40 DDAB CN(C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)C1CCC1 96499915 XGTSDKMUJAPBGB-OLZOCXBDSA-N 306.387 1.702 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 96453306 SBHFMDNOXMEVNU-NSHDSACASA-N 300.366 1.059 0 40 DDAB O=C(COC1CCCC1)NCCc1noc(-c2ccccn2)n1 96405463 WZYXKZQJXOVCSW-UHFFFAOYSA-N 316.361 1.750 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1-n1cnnn1 95447869 BUXGTXYLOSYHEZ-JKSUJKDBSA-N 321.340 1.050 0 40 DDAB NC(=O)OCCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 95464829 LBGYAXRFWSOHAN-UHFFFAOYSA-N 316.317 1.439 0 40 DDAB CC[C@@H](Sc1ccccc1)C(=O)NCCN1CCN(C)CC1 71895975 VHMBQPOSOWIZSI-MRXNPFEDSA-N 321.490 1.921 0 40 DDAB COc1ccnc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1 71824787 WXUQWWYQHABXSL-UHFFFAOYSA-N 316.365 1.068 0 40 DDAB COc1ccc(C)cc1[C@@H](O)CN[C@H]1CCc2ncnn2C1 71871752 KZAVMOHIRZGVPG-JSGCOSHPSA-N 302.378 1.233 0 40 DDAB COC1CCN(c2ccc(F)cc2CN(C)[C@@H](C)C(N)=O)CC1 71842050 SDOWRASNRMWDHT-LBPRGKRZSA-N 323.412 1.747 0 40 DDAB CC(C)=CC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 71910596 LIQMVPBHWGTWHP-HNNXBMFYSA-N 302.422 1.675 0 40 DDAB C[C@@H]1SCCN(CCNS(C)(=O)=O)[C@H]1c1ccccc1 71911161 CZVLJMVEXJJIJU-GXTWGEPZSA-N 314.476 1.714 0 40 DDAB CS(=O)(=O)Cc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 83984768 VVJAHNJOCXXMKS-UHFFFAOYSA-N 309.372 1.524 0 40 DDAB CN(Cc1ncnn1C)C(=O)NC[C@@H]1COc2ccccc2C1 73537919 OIEMZXQPNLGULV-GFCCVEGCSA-N 315.377 1.208 0 40 DDAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc[nH]n1 95991627 RZABCDXQWJZMIN-LBPRGKRZSA-N 322.727 1.738 0 40 DDAB Cc1nn(CC(=O)N[C@@](C)(CC(C)C)C(N)=O)c(C)c1Cl 75136782 LVDLCABJQRQJHT-AWEZNQCLSA-N 314.817 1.560 0 40 DDAB C[C@H]1CCCN(c2cc(N(C)CC(=O)N3CCCC3)ncn2)C1 89929839 BEEYRSUGGKUTHF-AWEZNQCLSA-N 317.437 1.772 0 40 DDAB CC[C@@H](NC[C@@H](c1ccc(C)s1)N1CCOCC1)C(N)=O 75603917 CYVDDQMRHOZYMB-OLZOCXBDSA-N 311.451 1.283 0 40 DDAB O=C(N[C@@H](C(=O)O)[C@H](O)c1ccncc1)C1CCCCCC1 1548598648 FCSAPVDEQVJIHD-ZIAGYGMSSA-N 306.362 1.655 0 40 DDAB COc1ccc(CCN2C[C@H](NCc3c[nH]cn3)CC2=O)cc1 12302338 VGLZEIWLKTUDDT-CQSZACIVSA-N 314.389 1.352 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306123439 ANAMKYNQQDENRW-MCIONIFRSA-N 302.374 1.734 0 40 DDAB CC(=O)CSc1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO1 36631412 USIVGOLSZRBRSU-GFCCVEGCSA-N 321.406 1.539 0 40 DDAB Cc1cc(N2CCOC(F)(F)C2)n2nc(C(F)(F)F)nc2n1 521394456 JJZIKLQFTHFIKR-UHFFFAOYSA-N 323.225 1.881 0 40 DDAB Cc1ccnc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)c1 32879601 IWPLMRNNYJLJLP-UHFFFAOYSA-N 324.340 1.694 0 40 DDAB Cn1nnc(-c2cccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)c2)n1 71285825 DXYAPFKQMVPLBE-WDEREUQCSA-N 315.333 1.172 0 40 DDAB C[C@H](N)C(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1 72394527 HDXROHONEAVTDQ-ZDUSSCGKSA-N 303.406 1.219 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218531227 OZRFEMVEMOUZPJ-IHRRRGAJSA-N 317.838 1.975 0 40 DDAB O=C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1 47510280 NLPNHDZTCGVEOF-UHFFFAOYSA-N 322.308 1.306 0 40 DDAB C[C@H](C(=O)N(C)CCN1CCCC1=O)[C@H](N)c1ccccc1 225472624 QFFYZXBAZOMKAF-BBRMVZONSA-N 303.406 1.403 0 40 DDAB COCCCNC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O 41549992 GIGIRDMTVSUTFM-CQSZACIVSA-N 312.753 1.582 0 40 DDAB COC(=O)[C@H]1CC[C@@H](NC(=O)NC2Cc3ccccc3C2)C1 195077209 CBOZVIKSJJWEMV-UONOGXRCSA-N 302.374 1.795 0 40 DDAB CN(c1cccnc1N1CCCC1)S(=O)(=O)Cc1ccon1 96452750 QHQUBTYURBDTJH-UHFFFAOYSA-N 322.390 1.636 0 40 DDAB CCc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1 97096293 VGYIILCCSRNBQN-NSHDSACASA-N 309.414 1.808 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4scnc4C)C[C@H]3O2)n1 96219701 MSRRDEWXAMALPD-RWMBFGLXSA-N 320.418 1.975 0 40 DDAB Cn1cc(CN2CCO[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2)cn1 96108099 ZTAOZHLJYJURIM-DLBZAZTESA-N 316.405 1.346 0 40 DDAB Cc1noc([C@@H]2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3O2)n1 96070463 FXGQMTHRYJADHI-WCFLWFBJSA-N 300.318 1.375 0 40 DDAB Cn1nnc(-c2ccc(OCC(=O)NCc3ccco3)cc2)n1 96231161 UGVMLBCNJFXCBO-UHFFFAOYSA-N 313.317 1.165 0 40 DDAB O=C(c1ccoc1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96067085 XLODGTMLBJQLAA-GFCCVEGCSA-N 312.333 1.040 0 40 DDAB COCCN1CCN(C(=O)C2CCOCC2)Cc2cccnc21 96060945 FSWYJKAWHJZGJX-UHFFFAOYSA-N 319.405 1.303 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC(C)(C)O1 332643876 GTBHMAFTXOAKJH-OLZOCXBDSA-N 322.409 1.102 0 40 DDAB CC(C)OC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccncn1)C2 96040542 NOXUNOZVBVPFGR-RDJZCZTQSA-N 319.405 1.913 0 40 DDAB COCC(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ncccc1F 96041910 CYOQTACQHUVNRZ-OUCADQQQSA-N 310.325 1.004 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 96182260 GYZNKSROMGNWOM-BETUJISGSA-N 313.336 1.219 0 40 DDAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 247809034 DCADJGDMYBFWKN-INIZCTEOSA-N 318.421 1.431 0 40 DDAB Cn1cnc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)c1 257338851 YZEIJYFQGMOVKV-MRXNPFEDSA-N 315.377 1.556 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCOC[C@H]1c1ccn[nH]1 257243284 IGEQKLKHDRMTBM-LBPRGKRZSA-N 301.302 1.352 0 40 DDAB CO[C@H]1CN(C(=O)CCc2nc(C(C)C)no2)C[C@@]12CCCO2 257229408 FXZQJTLMSJPHPM-LRDDRELGSA-N 323.393 1.532 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cscn1 257205413 AYWZOQVTTLXEOE-LBPRGKRZSA-N 318.402 1.715 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)on1 257275572 NPXVKIDVFLCMPH-HOCLYGCPSA-N 308.378 1.629 0 40 DDAB CCn1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(C)n1 257261488 LHNRVHKOZPSRPC-HOCLYGCPSA-N 307.394 1.622 0 40 DDAB Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)nc(O)n1 257287761 PRKFOPWIEQJJAZ-HNNXBMFYSA-N 312.373 1.620 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)s1 257242443 ICMGMGCSPLJBLL-XJKCOSOUSA-N 323.462 1.406 0 40 DDAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCOCC1 256046950 JHEFIZLBFZGSMB-UHFFFAOYSA-N 308.725 1.456 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N1C[C@H]2C[C@H](O)C[C@H]2C1 257250491 JMSYJKKIELVBOJ-MYJAWHEDSA-N 303.284 1.131 0 40 DDAB Cc1nc(-c2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CO4)cc2)co1 370224977 OTBZWVQYLMZCAM-QWHCGFSZSA-N 320.370 1.812 0 40 DDAB O=C(NCc1ccco1)C1CN(c2cc(-n3ccnc3)ncn2)C1 390829104 WRZSERHBQGJUBC-UHFFFAOYSA-N 324.344 1.008 0 40 DDAB C[C@@H](CC(=O)Nc1ncn(CC(=O)O)n1)c1ccc(F)cc1 647782636 VUMFKFHTZHXCNH-VIFPVBQESA-N 306.297 1.634 0 40 DDAB CCOCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575406368 NRZIGBHOTVSOJJ-OAHLLOKOSA-N 315.373 1.709 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cc(C)on1)[C@@H](C)C2 585097575 MCTHMNFBHAEHKX-NSHDSACASA-N 305.382 1.558 0 40 DDAB CO[C@@H]1COC[C@@H](CNC(=O)CCCc2ccc(C)cc2)[C@@H]1O 585286243 VSIQLZDZMQSDIC-NUJGCVRESA-N 321.417 1.456 0 40 DDAB 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CS(=O)(=O)N1CCC[C@@H](c2cnc(NC3CCCC3)cn2)C1 72364698 WOSUSIRTHPOALH-GFCCVEGCSA-N 324.450 1.970 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C1(CN)CN 218373684 YLZCHGYBXIGPRL-NEPJUHHUSA-N 302.827 1.144 0 40 DDAB O=C(NCCc1n[nH]c(-c2ccco2)n1)[C@@H]1Cc2ccccc2O1 78777959 LNCSLAHOLKJTPC-AWEZNQCLSA-N 324.340 1.727 0 40 DDAB Cc1cc(C)nc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 72364587 YOGBBRKMNREJPP-GFCCVEGCSA-N 307.379 1.342 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2nc3ccccc3n2C)CCO1 72379541 YNLFFVGYLGTCBM-KRWDZBQOSA-N 316.405 1.252 0 40 DDAB Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1c[nH]c2ncccc12 79354749 LFCYEFRRJDMDBX-SNVBAGLBSA-N 319.390 1.644 0 40 DDAB CCN(C[C@@H]1CCN([C@@H]2C[C@@H](C)OC2=O)C1)CC(F)(F)F 195533701 COUJQKIRJCIFFH-GRYCIOLGSA-N 308.344 1.897 0 40 DDAB COC(=O)C[C@H]1CN(c2ccc(Br)cn2)CCO1 89400754 FMWFPHPOUDGVTC-JTQLQIEISA-N 315.167 1.612 0 40 DDAB COc1cncc(N2CCN(c3nc(C)cnc3C)CC2)n1 195563845 RLHKUQMJDYYIOS-UHFFFAOYSA-N 300.366 1.219 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2N1C(C)C 96054224 OGVGPADSQFNGIG-AEGPPILISA-N 307.463 1.777 0 40 DDAB Cc1ccc2c(c1F)N(C(=O)c1ccc(=O)n(C)n1)CCC2 332327721 SYIWKTNAOGRCHN-UHFFFAOYSA-N 301.321 1.821 0 40 DDAB CCOC[C@@H]1CN(Cc2cnn(C)c2)Cc2c1cnn2CC 96044624 DJNFROHIZODRED-AWEZNQCLSA-N 303.410 1.772 0 40 DDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12 96040831 QQMDFJUXCJAFSA-OAGGEKHMSA-N 322.405 1.127 0 40 DDAB Cn1nnc2c1CCN(Cc1cccnc1)[C@@H]2COCC1CC1 96068730 RJIIQHPGCURROG-MRXNPFEDSA-N 313.405 1.736 0 40 DDAB Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)ccc1F 97373342 AAGMWBMTTRPZNH-UHFFFAOYSA-N 305.309 1.953 0 40 DDAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)N(C)C)C2 96040550 LWXTUBKGJVCQOT-KGLIPLIRSA-N 320.455 1.089 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@H](N)c1ccc(Cl)cc1Cl 96525262 LKOUWGFEAMZWMM-WDEREUQCSA-N 312.218 1.789 0 40 DDAB CN(C)C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 96055057 IBVRTKCFJBEJJL-CABCVRRESA-N 304.394 1.038 0 40 DDAB Cc1cnc(N2CCOCC2)cc1I 238483193 WQPRJSYTBFDTEC-UHFFFAOYSA-N 304.131 1.831 0 40 DDAB CC(C)Cn1cc(C(=O)NCCc2nnc3n2CCCC3)cn1 97101066 BXFOCKBCWRJGCZ-UHFFFAOYSA-N 316.409 1.439 0 40 DDAB COCCN1CCN(C(=O)c2ccncc2)Cc2cccnc21 96060933 ALMSEIXJHWVGBW-UHFFFAOYSA-N 312.373 1.585 0 40 DDAB C[C@@H]1SCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@@H]1C 96411141 VPHSVPHCDJOALA-MBNYWOFBSA-N 310.463 1.987 0 40 DDAB O=C([C@@H]1CN(Cc2cccs2)Cc2cncn21)N1CCCO1 247895723 ZWMZIHPLUKCDTL-AWEZNQCLSA-N 318.402 1.665 0 40 DDAB O=C(NCC[C@H]1CCOC12CN(C1CCC1)C2)c1cnccn1 247513901 UYDAWECBKJDNNK-ZDUSSCGKSA-N 316.405 1.240 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 245264232 CFAKMWKKUOCHFS-QNWHQSFQSA-N 311.378 1.747 0 40 DDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccon1 257342855 ZQJPSPPMAXTAGK-INIZCTEOSA-N 316.361 1.173 0 40 DDAB C[C@@]1(O)CCN(C(=O)c2cncnc2)C[C@H]1Oc1ccccc1 257288490 PUKACDIWDVAKFG-NVXWUHKLSA-N 313.357 1.521 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257286459 PLQRNBPJSLDURO-LBPRGKRZSA-N 317.393 1.952 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc(F)cc2)n1 257344668 ZYFIRFPBQYOJFJ-CQSZACIVSA-N 303.337 2.000 0 40 DDAB Cc1cccnc1Nc1nccc([C@H]2CCN(C(=O)CN)C2)n1 257216291 CTWLDALYZPYJNS-LBPRGKRZSA-N 312.377 1.198 0 40 DDAB O=C(CC1CC1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257298626 RMOGTLIDACIZBF-INIZCTEOSA-N 307.369 1.468 0 40 DDAB Cc1cc(C[C@@H]2COCCN(C(=O)C3CCOCC3)C2)ncn1 257329876 XLWGHQJTLQPMLB-AWEZNQCLSA-N 319.405 1.229 0 40 DDAB COc1ccc([C@@H](NC(=O)Cn2cc(C)cn2)C(=O)O)cc1F 455929594 NNYDVJOINFGLQN-CQSZACIVSA-N 321.308 1.281 0 40 DDAB NC(=O)c1cc(F)c(F)cc1NS(=O)(=O)N1CCCCC1 451091204 VTZIFKJUAXJUMP-UHFFFAOYSA-N 319.333 1.206 0 40 DDAB O=C(COC1CCCC1)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093315 OUILADUYNAHSID-AWEZNQCLSA-N 316.348 1.320 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1ccc(-n2cncn2)nc1 46714204 UXROYSIRRWBKTN-UHFFFAOYSA-N 312.333 1.126 0 40 DDAB Cc1ccc(OCC(=O)N2CCC(CC(N)=O)CC2)cc1C 49390316 JTFMFPZFRAYCSU-UHFFFAOYSA-N 304.390 1.796 0 40 DDAB COc1cccc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)c1 52798676 GBNRWEDAXJWRFO-UHFFFAOYSA-N 313.361 1.297 0 40 DDAB COc1ccc(-c2n[nH]cc2CNC[C@H]2COCCO2)cc1 58031265 UTJSZOVRXUPIED-HNNXBMFYSA-N 303.362 1.590 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)NO[C@@H]1CCCCO1 58420247 PXFPLEFVDNSFCX-QGZVFWFLSA-N 318.373 1.930 0 40 DDAB Cc1ccccc1OCC(=O)N1CCCN([C@H]2CCOC2)CC1 1565522426 PPTGIJPHVCRULK-INIZCTEOSA-N 318.417 1.697 0 40 DDAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 75161524 YPZCYJXGQOGSGL-ZDUSSCGKSA-N 317.389 1.300 0 40 DDAB O=C([C@@H]1CCCN(c2nc(C3CC3)ns2)C1)N1CCOCC1 80767316 MPYBMYJLCFWELJ-GFCCVEGCSA-N 322.434 1.491 0 40 DDAB C[C@H]1CN(CCCCNC(=O)c2ccncc2F)C[C@@H](C)O1 85456459 FNVFNMSQNQVNDJ-BETUJISGSA-N 309.385 1.840 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1cccc(Br)c1C 88441904 AEWHQXSIEHKNGV-NEPJUHHUSA-N 313.195 1.474 0 40 DDAB CC(C)c1nccc(=N[C@H]2CCCN(c3ncc[nH]c3=O)C2)[nH]1 548673379 NSKYZDGQQJGTDK-LBPRGKRZSA-N 314.393 1.186 0 40 DDAB O=C1CCCN1CCCNS(=O)(=O)c1cccc(F)c1 3453305 MDLMSPIVDARQEG-UHFFFAOYSA-N 300.355 1.117 0 40 DDAB O=C(c1cccnc1)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549161654 HXLPOCHFVUSVLJ-UHFFFAOYSA-N 323.352 1.640 0 40 DDAB O=C1C[C@@H](C(=O)O)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 19961297 GADGMTBXNCDQTI-MRVPVSSYSA-N 300.274 1.024 0 40 DDAB CC(C)[C@H](C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 151758646 VNLREIWHWPRXSD-NSHDSACASA-N 316.398 1.752 0 40 DDAB Cc1cc(C(=O)NCc2nccn2C)c(C)n1[C@@H]1CCOC1 528410817 HVTNRWPPLIDESJ-CYBMUJFWSA-N 302.378 1.730 0 40 DDAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2)C1 12289071 FRKAPDKZESAWLZ-LSDHHAIUSA-N 307.390 1.701 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)O)C2)c1 13260588 PHZQWUKQCDXCPT-NSHDSACASA-N 311.359 1.027 0 40 DDAB Cc1cc(N2CCN(c3ncc(F)cn3)CC2)nc(N(C)C)n1 1888842579 OZEAAMDQWZJBDT-UHFFFAOYSA-N 317.372 1.107 0 40 DDAB CC(C)(C)c1noc(CN2C(=O)c3ccccc3S2(=O)=O)n1 23950115 GXMYBQURVIMOCF-UHFFFAOYSA-N 321.358 1.712 0 40 DDAB C[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)NC1CC1 22534691 LLVVILJVNKWWHA-ZETCQYMHSA-N 309.416 1.754 0 40 DDAB Cn1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1=O 28503369 WPJUJCLGIXZIDS-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB CCCCN(C)S(=O)(=O)NCc1cccc(NC(C)=O)c1 32469040 UVCVZXUYGGDYON-UHFFFAOYSA-N 313.423 1.711 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C 36078860 KEIPTYANUJHHDI-NSHDSACASA-N 313.379 1.466 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)[C@@H]1CCCCO1 1776009320 DECJBKBLHYUEGI-LBPRGKRZSA-N 318.402 1.565 0 40 DDAB O=C(C1CCOCC1)N1CCC(O)(COc2ccccc2)CC1 2037909070 RLEUGYFSERISKB-UHFFFAOYSA-N 319.401 1.846 0 40 DDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccccn3)[C@@H]2CN1 2037980911 MXCNZIPMGQXMTL-ZHALLVOQSA-N 323.396 1.565 0 40 DDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 1565550392 BQTKDZFTIOJHQM-VHDGCEQUSA-N 305.378 1.456 0 40 DDAB CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713726 CSEPQQZFWYMTEX-LBPRGKRZSA-N 304.394 1.160 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1F 30335232 MCHZTCCYEKQBTC-SKDRFNHKSA-N 303.355 1.680 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccn3)CC2)n1 40474123 GDHOMWGGDHYADE-UHFFFAOYSA-N 313.405 1.239 0 40 DDAB Cc1ccc(C(=O)Nc2nncs2)cc1NS(C)(=O)=O 40496258 IIODMTLPHIUMNT-UHFFFAOYSA-N 312.376 1.470 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)[nH]n2)cc1 40485179 HLNYKJQTSCVODZ-GFCCVEGCSA-N 319.386 1.302 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1nc(Cl)ccc1Cl 40490020 UCGRJXRQSCQKAW-UHFFFAOYSA-N 312.160 1.856 0 40 DDAB Cn1ccnc1[C@](O)(CC(=O)NC1CCCC1)C(F)(F)F 40488164 SDOBXKIROVWOFP-GFCCVEGCSA-N 305.300 1.619 0 40 DDAB Cc1ccc(-c2noc(CN(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 20680039 GGCWFAWVGDVWTR-ZDUSSCGKSA-N 321.402 1.664 0 40 DDAB O=C(/N=c1\[nH]c2ccccc2n1-c1ccccc1)[C@H]1COCCO1 46499239 XROATIWRTBSDJS-MRXNPFEDSA-N 323.352 1.801 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCc2cccc(OCC(N)=O)c2)c1 69742578 JAXOFKKKAUHUQR-ZIAGYGMSSA-N 316.405 1.795 0 40 DDAB Cc1cc([C@H]2NC(=O)c3ccncc3N2)ccc1-n1cncn1 76065212 HAJALERJRLOSQW-OAHLLOKOSA-N 306.329 1.825 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)Nc2c(C)n[nH]c2C(N)=O)c1 78601495 QYRIUZVMQOZMLR-UHFFFAOYSA-N 308.363 1.235 0 40 DDAB COc1ccc([C@@H](O)CNC[C@@H]2CN(C3CC3)CCO2)cc1 78788246 BOGUMBYDFVAWCT-SJORKVTESA-N 306.406 1.181 0 40 DDAB O=C(NCCN1CCCC1)c1ccc(N2CCCC2=O)cc1 4991412 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NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1 3276306 GHLPKPLBOJNHEP-UHFFFAOYSA-N 314.297 1.287 0 40 DDAB C[C@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)C[C@@H](C)O1 102685608 KNZGEPYVGSFWQC-NPJQDHAYSA-N 310.438 1.560 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CNC[C@H]2CN(C)CCO2)cc1C 69870105 WPFIJCXGBFZPHF-WBVHZDCISA-N 319.449 1.401 0 40 DDAB CC(=O)N1CCO[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 108527646 RQAJBZQJFBCOFU-GJZGRUSLSA-N 306.362 1.358 0 40 DDAB Cc1cccc(C)c1OCCCNC(=O)N1CC[C@@H](C(N)=O)C1 56785417 OCKOYEOOIVHTNJ-CQSZACIVSA-N 319.405 1.589 0 40 DDAB CNC(=O)c1ccc(CN(C(=O)c2cnc(C)cn2)C2CC2)cc1 26118338 FBZUDJUYULMVHM-UHFFFAOYSA-N 324.384 1.949 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2O1 26866312 YQUWRBRXWRZFCF-GFCCVEGCSA-N 308.359 1.573 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCCc1ccc2c(c1)OCO2 48170883 IZMODKJRTDNTKZ-GFCCVEGCSA-N 316.361 1.542 0 40 DDAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)[C@H]1CCOC1 58014180 YHKCLECMAXHFQB-VIFPVBQESA-N 316.279 1.954 0 40 DDAB CN1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H](c2ccccc2)C1 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CCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1C 48673721 SKXNCVDCFGWKQA-UHFFFAOYSA-N 318.826 1.795 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1O 22283174 KPXAGZPEFPYABE-UHFFFAOYSA-N 313.357 1.554 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1nc(C(C)C)ncc1Cl)C2 71185274 XUNWCDWGUBMMPE-UHFFFAOYSA-N 320.784 1.809 0 40 DDAB Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1C 13930179 NHJANZCEOVQITH-CHWSQXEVSA-N 300.358 1.776 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C[C@@H](C)O1 14139073 JDBGQHSFZRCNHQ-GHMZBOCLSA-N 324.402 1.003 0 40 DDAB Cc1nnc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1C1CC1 14246538 HXKHWIMXALGSSR-BXKDBHETSA-N 310.423 1.697 0 40 DDAB COc1ccc([C@]2(C)NC(=O)N(C[C@@H]3CCCO3)C2=O)cc1 7081243 KALCRTBXALCGDT-BBRMVZONSA-N 304.346 1.641 0 40 DDAB Cn1cc(N2CC[C@@H](N[C@@H]3CC(C)(C)OC3(C)C)C2=O)cn1 90017568 NCHBPQZEKUAUSR-CHWSQXEVSA-N 306.410 1.461 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC)cc1OC 15449073 SVYZKIKCSIRCGG-NSHDSACASA-N 323.393 1.370 0 40 DDAB Cc1cc(C(N)=O)c(NC(=O)c2ccc3nnn(C)c3c2)s1 96013849 YEBBEOBUQAEKTL-UHFFFAOYSA-N 315.358 1.689 0 40 DDAB C[C@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)c1ccccc1 15912030 LGACNDIWZZWVRQ-VIFPVBQESA-N 304.375 1.322 0 40 DDAB COCCN1CCC[C@H](NC(=O)c2ccc3nccn3c2)C1 68431046 WTUDYKVQPBLYEM-AWEZNQCLSA-N 302.378 1.175 0 40 DDAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2o1 7883694 QCOJPRXZCGZFEB-NSHDSACASA-N 319.386 1.786 0 40 DDAB Cc1ccc(-c2cc(C(=O)N3CCN(C[C@H](C)O)CC3)[nH]n2)o1 71871275 QPQAPLXEOKHXDV-NSHDSACASA-N 318.377 1.117 0 40 DDAB C[C@@H](NC(=O)CSc1nnnn1C)c1cc2ccccc2o1 8100728 XQAFPSKJXQWJEQ-SECBINFHSA-N 317.374 1.926 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)nn3cccnc23)c1 70036545 PRJIIVKSJDOASB-AWEZNQCLSA-N 324.388 1.847 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@H]1CC 70008401 PLHBSEJTVPUBHL-CQSZACIVSA-N 324.425 1.354 0 40 DDAB C[C@@H](O)CN1CCC(CNCc2nc3ccccc3n2C)CC1 69347329 MIQWLXAOJUCSGA-CQSZACIVSA-N 316.449 1.756 0 40 DDAB CCO[C@H](C(=O)N1CCN(C[C@@H](C)O)CC1)c1ccccc1 71871369 QHPWMUFTOIRPAT-ZBFHGGJFSA-N 306.406 1.289 0 40 DDAB COC(=O)[C@H]1CN(C(=O)c2cccc(C)n2)c2ccccc2O1 69485276 GQIQTEXZNUMEPO-OAHLLOKOSA-N 312.325 1.971 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 71830238 XGZHPXKRCSMFKB-VVTYTDBCSA-N 316.357 1.541 0 40 DDAB CC1CCC(N(C)C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 69518724 JCSPEQKSHYQHIU-JXQTWKCFSA-N 316.467 1.838 0 40 DDAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3nnc(C)o3)C2=O)cc1 9610175 YZTZFJYAQZJPHR-OAHLLOKOSA-N 300.318 1.654 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1c1noc(C2CC2)n1 84425433 COQNJHMGANAJCW-LLVKDONJSA-N 300.318 1.613 0 40 DDAB COCCOCC(=O)Nc1cc(C)c(Br)cn1 84114880 HOIHRWQYLUDKHW-UHFFFAOYSA-N 303.156 1.754 0 40 DDAB CN(C)c1nccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)n1 97084352 HVRHVYMNVFPOSW-AWEZNQCLSA-N 317.368 1.340 0 40 DDAB Cc1ccc([C@@H](CN[C@H]2CCN(C)C2=O)N2CCOCC2)s1 72286547 TWXQPJNJNBANHX-UONOGXRCSA-N 323.462 1.250 0 40 DDAB CC(C)N1N=C(C(=O)N2CCn3cccc3[C@H]2C)CCC1=O 72273250 IDBGWGYLGZLENK-GFCCVEGCSA-N 302.378 1.778 0 40 DDAB CC(C)c1nc([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cs1 72284892 XBAWVNRXIHKCAG-ZJUUUORDSA-N 316.448 1.878 0 40 DDAB Cn1c(CN2CCO[C@H](Cn3cncn3)C2)nc2ccccc21 72253401 MFDUTQACRGFMRC-ZDUSSCGKSA-N 312.377 1.066 0 40 DDAB COc1ccc(OC)c(C(=O)N(CC(=O)O)C[C@H]2CCCO2)c1 95970202 BAUQOLFTMMROIA-GFCCVEGCSA-N 323.345 1.410 0 40 DDAB CN1CCO[C@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)C1 89385630 WAJAFLOJWFDLTN-NSHDSACASA-N 304.268 1.680 0 40 DDAB O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)[C@@H]1CCCO1 75147831 AHARZTBOWNGNBD-ZDUSSCGKSA-N 317.324 1.796 0 40 DDAB Cc1ccc(SCCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 89753900 OTPSAEIYQRWNIE-LBPRGKRZSA-N 306.387 1.399 0 40 DDAB CCCCCS(=O)(=O)N1CCN([C@@H]2CCCC[C@@H]2O)CC1 89897372 SLLRQEONJOYYSN-CABCVRRESA-N 318.483 1.428 0 40 DDAB CCc1ccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1 75572982 MUMJBYPETQUGHJ-UHFFFAOYSA-N 312.417 1.941 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)[C@@H]1C(=O)O 547923033 PFTGOVJADZIAID-RNCFNFMXSA-N 311.359 1.201 0 40 DDAB CCCNC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 37503503 DWQSHDGTZLULRI-UHFFFAOYSA-N 317.345 1.239 0 40 DDAB Cc1nc(O)[nH]c1C(=O)NC1(c2ccc(F)cc2)CCOCC1 514869834 CDANMMBRVUWXDH-UHFFFAOYSA-N 319.336 1.999 0 40 DDAB O=C(O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccoc1)CC2 515882628 LOKRDNQXUPTEDJ-UHFFFAOYSA-N 321.354 1.767 0 40 DDAB CCOc1ccccc1-c1nnc(NC(=O)/C=C\C(=O)O)o1 216026234 CQBKCOLJELXIPM-FPLPWBNLSA-N 303.274 1.715 0 40 DDAB Cn1cc(NC(=O)c2cc(Br)c[nH]2)cc1C(N)=O 74069896 ASZBJPOSVGEWCE-UHFFFAOYSA-N 311.139 1.467 0 40 DDAB C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CCN(C)C1=O 73101776 SFTUEOVOAVNOFK-UKRRQHHQSA-N 304.390 1.781 0 40 DDAB C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)CCn1cnccc1=O 556991909 AFIDCVPNTOBMMC-QLJPJBMISA-N 317.320 1.411 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@H](Oc2cnsn2)C1 675008045 RJPXAFRWEPELHT-QMMMGPOBSA-N 317.417 1.442 0 40 DDAB CCn1ncc(CN(C)C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C 36624033 NPTZEOQWGAHHSZ-ZIAGYGMSSA-N 305.378 1.837 0 40 DDAB Cc1noc(CCNC(=O)NC[C@@](C)(O)C2CCCCC2)n1 188194731 ZDAHAXKHFKLFLY-OAHLLOKOSA-N 310.398 1.551 0 40 DDAB Cc1ccn(CCNc2cc([C@H]3CCCNC3)nc(C)n2)n1 72365331 JJAMVWWIXNAPKC-AWEZNQCLSA-N 300.410 1.869 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cscn2)o1 78663105 JGYYGDLOMKFRAQ-UHFFFAOYSA-N 316.360 1.343 0 40 DDAB COCCn1ccc(C(=O)N2C[C@H](C)Oc3ncccc32)n1 188068971 UQVNCTOGSFQDPT-NSHDSACASA-N 302.334 1.352 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)C(C)C)CCN1CCc1ccccc1 72350900 SNMVPZJUYODLFW-INIZCTEOSA-N 317.433 1.144 0 40 DDAB CCn1nccc1CN1CCC(n2cc(C(=O)OC)nn2)CC1 184756238 XRLCLRMTJYKFRW-UHFFFAOYSA-N 318.381 1.118 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)NC(C)=O 79044796 AMVXLFKYWXMRIH-SWLSCSKDSA-N 304.390 1.753 0 40 DDAB Cn1nnc2c(C(=O)N3CCCC[C@H]3c3cc[nH]n3)ccnc21 329269594 GWWSQTYLCSKICI-LBPRGKRZSA-N 311.349 1.454 0 40 DDAB CSc1ncc2c(N)nc(N)c(C(=O)N3CCCC3)c2n1 224841019 RNOJSPLLOIRGTF-UHFFFAOYSA-N 304.379 1.147 0 40 DDAB CN1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 225780796 RQHKUQDKNLHMGP-UHFFFAOYSA-N 306.366 1.732 0 40 DDAB CC(C)OCCCNC(=O)CCc1nc(-c2cccnc2)no1 225835072 NTMJJLSWWFCECO-UHFFFAOYSA-N 318.377 1.996 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccnc(N(C)C)c1 61946669 IJXXLELAWXEXTG-LBPRGKRZSA-N 302.382 1.232 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)Cc1ccc(F)cc1 75157290 GPCPEVWHQNXXCS-LBPRGKRZSA-N 307.412 1.359 0 40 DDAB C[C@H](Nc1ncnc2c1NC(=O)CN2)c1ccc2c(c1)OCO2 41121497 MVLBNCMAXWNTPV-QMMMGPOBSA-N 313.317 1.742 0 40 DDAB Cc1cc(N2CCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909381 VWCZXRLCDXTDNA-LBPRGKRZSA-N 321.450 1.851 0 40 DDAB CC(=O)c1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223445165 LAANGNIENRKIFH-UHFFFAOYSA-N 316.313 1.569 0 40 DDAB COC(=O)/C=C/c1ccc(C(=O)OC)c(C(=O)OC)c1OC 143701763 WDTQULWDKIPSDG-SOFGYWHQSA-N 308.286 1.455 0 40 DDAB CCS(=O)(=O)NCCNC(=O)/C=C(\C)c1ccccc1C 96406328 GMZWLVATADLSMS-ACCUITESSA-N 310.419 1.454 0 40 DDAB CNS(=O)(=O)c1ccc([C@@H](C)NC[C@H](C)SC)cc1 90725730 RLVCWTJPDATTSP-WDEREUQCSA-N 302.465 1.997 0 40 DDAB Cc1cc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)no1 96377376 CPTOMJKBHYWTBP-UHFFFAOYSA-N 324.333 1.420 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccncc3)C2)C1 96051956 OQJCBXBLCURDSG-IAGOWNOFSA-N 305.422 1.251 0 40 DDAB C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN([C@@H]1CCOC1)CC2 96187416 KOJMXNNWQJMJLY-VXGBXAGGSA-N 304.394 1.181 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CCN(c1ncccn1)CC2 96254733 BSXOWNRBKQUXIT-UHFFFAOYSA-N 310.405 1.780 0 40 DDAB O=C(c1ccoc1)N1CCc2ncnc(N3CCCC3)c2CC1 96058724 FNCVWSJSSADSPA-UHFFFAOYSA-N 312.373 1.911 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cn1 96186487 XLOAROPLMLCUHY-HZPDHXFCSA-N 311.389 1.585 0 40 DDAB Cn1ncnc1SCc1cc(=O)n2cc(Cl)ccc2n1 97375570 HNMMCNVSQLQQSO-UHFFFAOYSA-N 307.766 1.769 0 40 DDAB COC[C@H](NC(=O)NCc1ccnc(C)n1)c1ccc(C)o1 96446088 OFAYOGWLWAZMTR-ZDUSSCGKSA-N 304.350 1.873 0 40 DDAB CC[C@@](Br)([C@H](O)c1cccc(N)c1)S(C)(=O)=O 96521510 KXXGPDMEMDSYRQ-MNOVXSKESA-N 322.224 1.848 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 242390281 AIFNAENWTBVKJZ-MCIONIFRSA-N 301.383 1.460 0 40 DDAB Cc1cccc(C[C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 257338824 YZBSIWDKCGWYOS-MRXNPFEDSA-N 317.433 1.503 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 257227079 FNNIZDQFXHJOII-CQSZACIVSA-N 300.410 1.954 0 40 DDAB CC(C)(C(=O)N1CCC[C@H](c2nccs2)C1)n1cncn1 257277843 NZSQRXHRENNEBI-NSHDSACASA-N 305.407 1.876 0 40 DDAB Cn1cc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cn1 257293632 QQLRXWDTCUCTBG-UHFFFAOYSA-N 309.373 1.622 0 40 DDAB CC(=O)N1CC[C@H](Cc2nccnc2C(=O)N2CCCC2)C1 257293849 QRLKIGNNPIWRAJ-CYBMUJFWSA-N 302.378 1.124 0 40 DDAB O=C(c1cccnc1)N1CC2(CO[C@@H](Cc3cncnc3)C2)C1 257340926 ZIDMCILFFQOLEB-HNNXBMFYSA-N 310.357 1.345 0 40 DDAB COc1cccc([C@@H]2Cn3ccnc3CN2S(C)(=O)=O)c1 257253496 JZDZYMORXVFVFZ-ZDUSSCGKSA-N 307.375 1.408 0 40 DDAB Cc1ccc(C)c(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 43979567 VPHPKGBRTKYXED-UHFFFAOYSA-N 324.446 1.705 0 40 DDAB O=C(Cc1noc2ccccc12)Nc1cc(-n2cncn2)ncn1 96025242 VMKQGYKDPZRTMK-UHFFFAOYSA-N 321.300 1.380 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(C)s1 96104839 OCEJZQYUSQTLIJ-VIFPVBQESA-N 309.347 1.487 0 40 DDAB CO[C@H](CNC(=O)C(=O)NCc1ccco1)c1ccc(C)s1 96387619 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CCC[C@H](O)C[C@H]1C[C@H](O)[C@H]2CC[C@@H](O2)C(C)(C)C(=O)O1 1772591086 FDVLITONPQSTKU-QSLWVIQJSA-N 300.395 1.788 0 40 DDAB O=C(O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)ccc1Cl 5100003 MEUJYCDUNRJSPF-BKUVIOGVSA-N 319.700 1.481 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 5478405 ISABKYQVAFBZOM-PSJXJDHFSA-N 301.298 1.846 0 40 DDAB Cc1cc2ncc(CCCNC(=O)c3snnc3C)cn2n1 206819988 JSHUKCKUYNNYIP-UHFFFAOYSA-N 316.390 1.560 0 40 DDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCC1 424161 CLLJNVBPBYJCNW-UHFFFAOYSA-N 315.373 1.529 0 40 DDAB Cc1nc(C)c(C(=O)NCCn2nc(C3CC3)ccc2=O)s1 575608860 PRFOIXMFLWKMEL-UHFFFAOYSA-N 318.402 1.624 0 40 DDAB Cn1nc(-c2ccncc2)cc1CNC(=O)c1cccn(C)c1=O 1775986147 XPVOUUNEZQCPAJ-UHFFFAOYSA-N 323.356 1.111 0 40 DDAB O=C(c1ccoc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 238826627 DXJYVNCUWUWVIU-UHFFFAOYSA-N 312.373 1.911 0 40 DDAB CC(C)C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037983968 MDGAXRLHFLEBPR-ZBFHGGJFSA-N 316.401 1.923 0 40 DDAB 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1.306 0 40 DDAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@@H]1CCCO1 2390112 OLAKZCJPFSTJKH-ZDUSSCGKSA-N 301.346 1.964 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)C2CC2)CC1 48331987 GIWUGZMFCYXZDR-AWEZNQCLSA-N 324.421 1.339 0 40 DDAB CCCn1nc(C(=O)NCc2cccc(OC)c2)ccc1=O 11781983 SWZKMPUVHMOETN-UHFFFAOYSA-N 301.346 1.592 0 40 DDAB Cc1nc(SCC(=O)N2CCN(C)CC2)nc2c1CCCC2 408556292 JKYKALMIOYQRHC-UHFFFAOYSA-N 320.462 1.530 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CS2 3437319 LKCICQIOJFQHRY-MEBBXXQBSA-N 320.370 1.808 0 40 DDAB Cc1ccc(CCC(=O)NCC(=O)NC[C@@H](C)N(C)C)cc1 69537372 HQZBDXCVLGDUJT-CQSZACIVSA-N 305.422 1.110 0 40 DDAB Nc1nccnc1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69585569 VRRLLMVFLWBFIE-UHFFFAOYSA-N 316.271 1.979 0 40 DDAB COc1ccc(COC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 13148709 NGEJZYVZVMATJU-IJEWVQPXSA-N 309.406 1.682 0 40 DDAB Cc1cc(C(=O)N2CCCN(Cc3cscn3)CC2)[nH]n1 69659405 SJKMMEPIQLGEBC-UHFFFAOYSA-N 305.407 1.523 0 40 DDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NC(C1CC1)C1CC1 63337844 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QTHKFJUTYFCFTP-KBPBESRZSA-N 304.390 1.669 0 40 DDAB Cc1cc(C(=O)N(C)CC(C)(CO)CO)c(Cl)cc1F 97079708 JNGHIMKZGLQDRC-UHFFFAOYSA-N 303.761 1.850 0 40 DDAB Cc1ncsc1CNC1CCN(S(=O)(=O)C2CC2)CC1 84961991 IWJXABYYIQWJLW-UHFFFAOYSA-N 315.464 1.498 0 40 DDAB O=C(CNC(=O)Nc1ccc(-n2cccn2)cc1)NCC1CC1 95994317 INDGKUONEJZCKB-UHFFFAOYSA-N 313.361 1.520 0 40 DDAB O=C1OCC[C@@H]1N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 95958219 MSEJDCGJOBYAAH-AWEZNQCLSA-N 312.373 1.967 0 40 DDAB CCc1n[nH]c(NC(=O)c2c[nH]c3c(cnn3C)c2=O)c1C 95945500 IXCKQNJVUCSFES-UHFFFAOYSA-N 300.322 1.108 0 40 DDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cc[nH]n1 95952534 LZPKQLJRIUUXAI-MRXNPFEDSA-N 310.357 1.990 0 40 DDAB CNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 24060453 GAWFWRRISOMPQV-OQLLNIDSSA-N 307.379 1.623 0 40 DDAB COc1cc(NC(=O)c2c(C(=O)O)cnn2C)cc(OC)c1 20614732 QSUIRHPYUAWWCZ-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB CC(C)CN(Cc1nn[nH]n1)C(=O)c1cn(C)c2ccccc12 1558161621 CPGGPGXDESYTQI-UHFFFAOYSA-N 312.377 1.990 0 40 DDAB C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncc2c(F)cccn12 528813852 DAGCZZWZHLCFDA-GXFFZTMASA-N 302.353 1.686 0 40 DDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 36087993 KONWAFWYYOOUOD-PYHGIMPFSA-N 313.309 1.341 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1cc(Cl)nc(N2CCCC2)c1 79034398 KYIZVQLQGFTVTM-LLVKDONJSA-N 322.796 1.344 0 40 DDAB O=C(Cc1noc(C(=O)NC2CC2)n1)Nc1ccc(F)cc1F 36365212 YXCNPUHUVMVNQU-UHFFFAOYSA-N 322.271 1.421 0 40 DDAB CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241309 NOIIDLBTKYZCIE-UONOGXRCSA-N 310.781 1.763 0 40 DDAB O=C(O)c1cnc(-c2ccccc2F)nc1N1CCOCC1 49469313 XPVMVJHWVWACNJ-UHFFFAOYSA-N 303.293 1.818 0 40 DDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(C)cc(F)c1)C(=O)O 563073277 UHSFRPAKIRQSEJ-BXKDBHETSA-N 303.355 1.912 0 40 DDAB C[C@@H](NCc1nc(O)n[nH]1)C1CCN(CC(F)(F)F)CC1 574167583 MGOIPATYUKSDMM-MRVPVSSYSA-N 307.320 1.263 0 40 DDAB O=C1CNC(=O)N1CCCN[C@H]1CCC[C@H]1c1ccccc1 133632074 IWDCSVYZEXCWNF-GJZGRUSLSA-N 301.390 1.854 0 40 DDAB O=S(=O)(CCN1CCCC1)N1CCOc2ccc(F)cc21 192775315 HUCNWZNRPSMZEP-UHFFFAOYSA-N 314.382 1.450 0 40 DDAB COC(=O)COc1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 48308059 VFAYMCSXVBFETD-VXGBXAGGSA-N 322.361 1.880 0 40 DDAB CCN(CC)C(=O)Cn1cc(COc2ccccc2F)nn1 227168062 UPWHMWCYXXIUSQ-UHFFFAOYSA-N 306.341 1.865 0 40 DDAB Cc1cc(C(F)(F)F)ccc1CNCCNS(C)(=O)=O 190853356 JOGLEPKFPFAVSG-UHFFFAOYSA-N 310.341 1.653 0 40 DDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96106635 HLKZFEHTHPUKMV-CYBMUJFWSA-N 303.424 1.386 0 40 DDAB O=C([C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H](O)C1)N1CCCC1 195530190 VQZGAMVSWKCHGF-RBSFLKMASA-N 308.422 1.399 0 40 DDAB CC(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)NCCc1cccs1 96252383 FIQVPZFJZOVBNG-NNQSOWQGSA-N 306.431 1.911 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C2 230104830 GPBPSBZOSKBSKF-NJPZHQSLSA-N 321.442 1.975 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1cnc(N3CCCC3)nc1)CC2 97199399 DPRQQSYPXCYHNC-AWEZNQCLSA-N 313.409 1.081 0 40 DDAB CC(=O)c1cn(Cc2cccc3ccccc23)c(=O)n(C)c1=O 96466335 RQRJQTHCBGRPQN-UHFFFAOYSA-N 308.337 1.951 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2cccnc2)N1Cc1ccncc1 96055692 DOYQKIFUYZCBGT-JKSUJKDBSA-N 322.368 1.492 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@H](C)N1CCc2ccccc2C1 96412340 IHHARVKADAHWPU-STQMWFEESA-N 304.390 1.501 0 40 DDAB Cc1ccc(N2CC[C@H](C(=O)N[C@]3(C)CCOC3)C2=O)cc1 96487277 DRZIMPANRWPGNP-RHSMWYFYSA-N 302.374 1.643 0 40 DDAB CSC[C@H]1CCCN1Cc1cnc(N2CCN(C)CC2)nc1 93761272 VTVQVENNXFIKKL-OAHLLOKOSA-N 321.494 1.556 0 40 DDAB O=C1NC2(CCOCC2)C(=O)N1CCCc1cccc(F)c1 97233402 FILXAFBBSMACEV-UHFFFAOYSA-N 306.337 1.859 0 40 DDAB COc1ccc(N2CCC[C@@H](C(=O)Nc3cccnc3)C2)nn1 95474997 CXIMNZLYCSMMQG-GFCCVEGCSA-N 313.361 1.735 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@H]12 96185403 LNENGSJFXCWUIR-AEGPPILISA-N 308.447 1.716 0 40 DDAB C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)O1 97096317 BOFKZTMSKKUBGD-HLLBOEOZSA-N 319.449 1.515 0 40 DDAB CN(C)CC(=O)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96239255 DBLZGZJQOXGSHV-HNNXBMFYSA-N 307.419 1.265 0 40 DDAB COCCCNC(=O)c1cc(C(C)C)nc(N2CCOCC2)n1 96100971 SZVPYTVKAGMZSU-UHFFFAOYSA-N 322.409 1.203 0 40 DDAB O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2CN1CCN1CCCC1 96245060 GZAZWYWEQLMDJF-ROUUACIJSA-N 313.445 1.673 0 40 DDAB Cc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257344143 ZVYCSHIFPWAEPJ-BZUAXINKSA-N 320.437 1.226 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CC[C@@](O)(CN2CCCC2)C1 257247846 JAVFLKBBEOBTRB-QGZVFWFLSA-N 314.389 1.236 0 40 DDAB CS(=O)(=O)N1CCC(c2cccc(-c3cc[nH]n3)n2)CC1 257306642 SVCYEHBRFYVYFL-UHFFFAOYSA-N 306.391 1.611 0 40 DDAB CCS(=O)(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 253492748 QZXAYHPNKMZLSF-GFCCVEGCSA-N 314.432 1.370 0 40 DDAB C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)n1cccc1 257198971 NQAOSUDRUCMOQL-QLFBSQMISA-N 311.385 1.857 0 40 DDAB CC(=O)N1CCC[C@@]1(CCCc1nccnc1Cl)C(N)=O 257197630 FGKSUJAVIVIYDS-AWEZNQCLSA-N 310.785 1.319 0 40 DDAB Cc1cccc2nc(C(=O)N3CCO[C@H](c4cnccn4)C3)cn12 257246489 IUHQHNHHJOMVCO-HNNXBMFYSA-N 323.356 1.646 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2c(C(C)C)noc2C)CCO1 257300336 RTWWBFIVBSKVRS-HNNXBMFYSA-N 309.366 1.084 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1O)c1cscn1 257333851 YDJCBEJFPOGDEZ-TZMCWYRMSA-N 321.377 1.257 0 40 DDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(c2ccccn2)C1 257308602 TXIUDHVAMIVQCJ-GFCCVEGCSA-N 320.418 1.667 0 40 DDAB COC(=O)c1sccc1NC(=O)c1cc2n(n1)CCCO2 90626806 XWBHDFZSGKGUNK-UHFFFAOYSA-N 307.331 1.766 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)no1 43820885 CQUDEFTWSASQLB-OAHLLOKOSA-N 324.425 1.481 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)C(C)C)C3)n1 575403591 JASRYOYBCKQJPH-CYBMUJFWSA-N 305.378 1.580 0 40 DDAB CC(C)c1ccsc1C(=O)NCC1(C(N)=O)CCOCC1 53083270 UPHGHONMPZEBPA-UHFFFAOYSA-N 310.419 1.883 0 40 DDAB CON(C)C(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 65592348 SNCPUJVLNZCLCA-NSHDSACASA-N 323.418 1.818 0 40 DDAB CCSc1cc(C(=O)NC[C@@H]2CCN(CCOC)C2)ccn1 65622606 RHZFZXQZBCDILQ-ZDUSSCGKSA-N 323.462 1.892 0 40 DDAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2nccn2CC)cn1 78880698 BNZGWRQDYPJSRG-CZUORRHYSA-N 303.410 1.987 0 40 DDAB CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc2c(c1)OCCO2 12362793 VZTIWZSYIUREJD-HNNXBMFYSA-N 318.417 1.991 0 40 DDAB Cc1cc(=O)oc2cc(NC(=S)NN3CCOCC3)ccc12 17054933 VPPKHGZKFRPMHS-UHFFFAOYSA-N 319.386 1.635 0 40 DDAB COCCc1nnc(NC(=O)[C@@H](C)n2cc(Cl)cn2)s1 19080768 WELQPZRXPNXFJD-SSDOTTSWSA-N 315.786 1.777 0 40 DDAB Cn1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)cn1 19290712 ICEHAUGQKSAEMQ-UHFFFAOYSA-N 309.373 1.188 0 40 DDAB COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cnn(C)c1 19719805 KQJPEKIWVIGFSJ-AWEZNQCLSA-N 321.402 1.955 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459798 FDDFCVCIWYJXHB-QGZVFWFLSA-N 317.389 1.616 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(C[C@@H]3COCCO3)C2)nc1 1888849844 AHPHVPRNZUSFPS-LSDHHAIUSA-N 306.410 1.101 0 40 DDAB Cc1noc(C)c1CN1CCO[C@@H](C(=O)N2CCCCC2)C1 1888900940 DJYFZWVJZQHAFZ-OAHLLOKOSA-N 307.394 1.505 0 40 DDAB Cc1cc(N2CCC[C@H](C(=O)N3CCSCC3)C2)ncn1 1889095426 CGVAYNAAKCHAHA-ZDUSSCGKSA-N 306.435 1.577 0 40 DDAB COc1ccc(CN2CCO[C@H](C(=O)N3CCCC3)C2)cc1 1889124882 DJTNKTWPSIVVAW-INIZCTEOSA-N 304.390 1.518 0 40 DDAB O=S(=O)(N[C@H]1CCCN(Cc2ccccc2F)C1)C1CC1 1889130320 LFJNZMCINLOZTK-ZDUSSCGKSA-N 312.410 1.872 0 40 DDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1 24685844 AQAIKKCCKNYCND-AWEZNQCLSA-N 310.419 1.593 0 40 DDAB COCC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl 174936682 MGDMPPAMPWBKKT-CQSZACIVSA-N 303.761 1.925 0 40 DDAB CCSc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C 4139152 GMKFLDLRHPJJIH-UHFFFAOYSA-N 318.358 1.399 0 40 DDAB CCCNC(=O)COc1cccc2c(=O)n(CCOC)ccc12 4584325 KREGLCZFKWFRMK-UHFFFAOYSA-N 318.373 1.553 0 40 DDAB O=c1c2cnn(CCO)c2ncn1Cc1ccccc1Cl 4940564 FFMLSGYSCCROHN-UHFFFAOYSA-N 304.737 1.287 0 40 DDAB COC[C@@](C)(CNC(=O)COc1ccc(Cl)cc1)OC 575612561 MYENTYBTVQBAPR-CQSZACIVSA-N 301.770 1.887 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc(CCO)cc1 606440692 SKMLBRLVXIWFPR-UONOGXRCSA-N 304.390 1.568 0 40 DDAB Cc1nnc2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nccn12 2298047675 KJHAPNMLDORWNU-LBPRGKRZSA-N 316.409 1.564 0 40 DDAB O=C(Nc1ccccn1)c1ccccc1CN1C(=O)CNC1=O 32879602 LOPVTHQABAPIIW-UHFFFAOYSA-N 310.313 1.386 0 40 DDAB COCCOCCCNc1ccc2nnc(C(F)(F)F)n2n1 40480191 MPSWWWGREUYOPT-UHFFFAOYSA-N 319.287 1.608 0 40 DDAB COc1ccc(C(=O)Cn2nnn(-c3cccs3)c2=O)cc1 40494162 REBBNQZZYUYFJT-UHFFFAOYSA-N 316.342 1.382 0 40 DDAB O=C(CN1CCSC1=O)N1CCN(Cc2ccco2)CC1 40477349 LWCDQWSDFMCICV-UHFFFAOYSA-N 309.391 1.093 0 40 DDAB CCOc1ccc2nc(NC(=O)[C@H]3C[C@H](O)CN3)sc2c1 20434119 NWZINKVMCQOTGV-GZMMTYOYSA-N 307.375 1.356 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(C(=O)O)c1 322307 BYQQQMIJDLCOPJ-UHFFFAOYSA-N 324.292 1.620 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 32750897 RAAMHMUYXBLOHS-LRDDRELGSA-N 322.336 1.286 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(NC(=O)C2CC2)c1 32771646 QQOHVAZOQANUJE-VIFPVBQESA-N 304.350 1.291 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)c2cccnc2S)cc1 32718526 HUYSEXBVCHNHBF-UHFFFAOYSA-N 322.411 1.704 0 40 DDAB CCc1nsc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)n1 76093076 OFVQPIXJUJEXAQ-VXGBXAGGSA-N 312.439 1.250 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 8768349 ZDHUIDNPELYPTB-CQSZACIVSA-N 320.345 1.513 0 40 DDAB CC[C@@H]1C(=O)NCCN1CC(=O)Nc1cccc(C(C)=O)c1 76418852 XYPZDIMBPTVUPV-CQSZACIVSA-N 303.362 1.038 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)CSC)cc1 77105335 MMMGQEMOXXLGGQ-GFCCVEGCSA-N 305.421 1.088 0 40 DDAB CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 1626039 MSDUZLXFEMEMNF-YPMHNXCESA-N 322.361 1.527 0 40 DDAB Cc1nccc(CNC(=O)NCc2nccn2CC(C)C)n1 78940273 JGQGWUJFRVEULT-UHFFFAOYSA-N 302.382 1.637 0 40 DDAB O=S(=O)(c1cccnc1)N(CCC1OCCCO1)C1CC1 79061930 VEYBHYQCKFSXDD-UHFFFAOYSA-N 312.391 1.388 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)C[C@H](C)c1ccccc1 79095667 KTVRJFKXUDFYHC-STQMWFEESA-N 308.407 1.390 0 40 DDAB Cc1cc(=O)oc2ccc(OCC(=O)Nc3ccn(C)n3)cc12 33160769 RSLNNOAZVFCFDA-UHFFFAOYSA-N 313.313 1.852 0 40 DDAB Cc1cccnc1NC(=O)N[C@@H]1CCCc2c1cnn2CCO 47125431 AVEFLVONFGJWAT-CYBMUJFWSA-N 315.377 1.778 0 40 DDAB O=C(/C=C/c1ccco1)N1CCN(c2ncnc3[nH]cnc23)CC1 12324035 RWNJWXGHWGBPJE-ONEGZZNKSA-N 324.344 1.308 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2cc(C)cc(C)c2)CC1 53646049 SWWHVTCAAVHDPR-UHFFFAOYSA-N 310.419 1.411 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1cnn(Cc2ccccc2)c1 97139985 BAHHTQLLFSRXIC-LBPRGKRZSA-N 315.377 1.578 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)NCCC(=O)N2CCCC2)c1 47532470 KVJVMUQHUQJZRU-AWEZNQCLSA-N 304.390 1.891 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)C 47651909 AVYQTYRKRCOTKM-MRVPVSSYSA-N 324.324 1.460 0 40 DDAB O[C@@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1 3145183 VLWOYPVPCIUXFG-IYBDPMFKSA-N 317.385 1.456 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2Cc3ccccc3O2)no1 25263723 QEAYMSRGPZECRG-ZWNOBZJWSA-N 316.313 1.857 0 40 DDAB Cc1nnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)s1 107519483 UKSVEOMJXOHKNT-CABCVRRESA-N 316.430 1.936 0 40 DDAB Cc1cc(N2CCN(CC(F)(F)F)CC2)n2ncnc2n1 29723387 AJALASXCRHUBHY-UHFFFAOYSA-N 300.288 1.117 0 40 DDAB COCCOc1cc(C)ccc1NC(=O)NCCNC(C)=O 47853348 YVIKTHKGGWOYEW-UHFFFAOYSA-N 309.366 1.278 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1 57807376 GIACEPMKUUQRFM-UHFFFAOYSA-N 318.345 1.254 0 40 DDAB CC(C)C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccs1 58222917 UYDQRRDPZXTAPR-NSHDSACASA-N 321.402 1.502 0 40 DDAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CCCO1 36185307 JNGKJESNZVKMSD-AWEZNQCLSA-N 306.362 1.661 0 40 DDAB CCOC(=O)NC1CCN([C@@H](C)C(=O)NC(C)(C)CC)CC1 58316448 NNKTUAFUQCMQJR-LBPRGKRZSA-N 313.442 1.890 0 40 DDAB O=C(NCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCOC1 48265231 GCPXBTKVXVHIGM-ZDUSSCGKSA-N 300.362 1.708 0 40 DDAB COc1cc(C(=O)NCCCCN2CCOCC2)ccc1C 48285267 JHGLWCIPLYLOTE-UHFFFAOYSA-N 306.406 1.846 0 40 DDAB CC1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 36393424 LUPAQAPLDLWWKZ-UHFFFAOYSA-N 314.407 1.838 0 40 DDAB O=C1CCSc2ccc(C(=O)NC3=NCCS3)cc2N1 36724778 PIEDSTBLBWHQKX-UHFFFAOYSA-N 307.400 1.954 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 3448412 YHBUJLSGHSFENV-GFCCVEGCSA-N 322.430 1.999 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(NC(C)=O)c1 3521405 UFZVKJOBPJWIGM-VIFPVBQESA-N 321.333 1.036 0 40 DDAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)NC1CCCC1 12989910 RJHQBGKQMQCFHM-UHFFFAOYSA-N 307.369 1.755 0 40 DDAB COc1ncccc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 49058247 UEDMOIFRUQLGFT-GFCCVEGCSA-N 303.362 1.677 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38908126 GCKACFLNOWORFR-UHFFFAOYSA-N 308.407 1.030 0 40 DDAB CC(C)Cc1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cs1 49478839 VCVINTYWSKCRMS-CYBMUJFWSA-N 316.448 1.649 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN(CCSc2ccccc2)C1 71910674 RLNDIPRUTUWRLG-ZDUSSCGKSA-N 314.476 1.779 0 40 DDAB NC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1 14098076 ZDFZZXBALNASBC-AYJWMTRPSA-N 316.382 1.803 0 40 DDAB CCO[C@H]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 65533338 AIFCJVZWNMGECD-ZDUSSCGKSA-N 317.393 1.311 0 40 DDAB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)[nH]c2C)C1=O 14198052 HDAHHERGHARINX-UHFFFAOYSA-N 305.334 1.405 0 40 DDAB CONC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14199308 SUIANMMNQZHEBN-UHFFFAOYSA-N 309.325 1.736 0 40 DDAB CCCCNC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 9066828 XEBWYMHMHPXFCQ-UHFFFAOYSA-N 318.377 1.461 0 40 DDAB COc1cccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C)c1 66657569 LXFTUBIEDWPPEI-ZDUSSCGKSA-N 308.403 1.227 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976141 FGKGVVCPYIBAGL-OCCSQVGLSA-N 322.380 1.368 0 40 DDAB Cc1occc1-c1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)o1 7195023 OHZRJBRLAACHEA-VIFPVBQESA-N 324.362 1.950 0 40 DDAB Cc1cccc(OCC(=O)Oc2ccc(-n3cnnn3)cc2)c1 7757497 GISQTELLSIJQRX-UHFFFAOYSA-N 310.313 1.955 0 40 DDAB CC(C)(C)OC(=O)NCCC(=O)NCc1ccc2c(c1)OCO2 7912148 REPKQQHSMRDEHB-UHFFFAOYSA-N 322.361 1.946 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C[C@@H](O)CN1CCCC1 69157793 FUXOCPXVOUPGDT-QGZVFWFLSA-N 315.421 1.156 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC2CCCC2)c1C 9448298 CESKKXNBXMXUOM-UHFFFAOYSA-N 322.361 1.634 0 40 DDAB Cc1cc([C@](C)(O)CNC(=O)[C@H](O)c2ccccc2)c(C)o1 81818207 YGIRDHWUIFEOPF-NVXWUHKLSA-N 303.358 1.954 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1 16975576 XHWVJBPEOCGDPA-UHFFFAOYSA-N 313.288 1.468 0 40 DDAB CNC(=O)NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 69302839 CSDDTBHIPLERNB-LLVKDONJSA-N 318.402 1.889 0 40 DDAB CC1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 8318384 HWDYEJFGAUSZNH-NSHDSACASA-N 302.378 1.915 0 40 DDAB CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 8395313 BFDYSPLEEIZCMW-LLVKDONJSA-N 302.783 1.991 0 40 DDAB O=C(NCCCn1ccnc1)Nc1ccc2c(c1)OCCO2 17030769 MLRUMOZOFSRDSV-UHFFFAOYSA-N 302.334 1.866 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C)C1CCCC1 69528840 XKUSOTMWNKLYTR-BBWFWOEESA-N 321.465 1.767 0 40 DDAB CC(C)NC(=O)CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 69508825 HMRGLUWANBKEGN-UHFFFAOYSA-N 320.389 1.376 0 40 DDAB c1ccc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)nc1 69624467 YCQSSPDEEKTADD-GFCCVEGCSA-N 311.349 1.388 0 40 DDAB Cc1ccccc1-c1noc(CN2CCN(C[C@@H](C)O)CC2)n1 69652161 DVHAFDKHKPXGAC-CQSZACIVSA-N 316.405 1.543 0 40 DDAB Cc1ccc(C[C@@H](C)N(C)C(=O)NCCN2CCOCC2)cc1 96415187 VWXLYLNUNUCESP-MRXNPFEDSA-N 319.449 1.900 0 40 DDAB CN(C(=O)Cn1ccc2ccccc21)C1CCS(=O)(=O)CC1 96449134 ODAZYZTXUQJUPC-UHFFFAOYSA-N 320.414 1.677 0 40 DDAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1ccncc1 69812339 UVELBLCSSQODNX-QWHCGFSZSA-N 304.394 1.670 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 69895748 ZVPKQRUMHZAIJQ-BBWFWOEESA-N 320.408 1.844 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12 71830153 FHAMCYWKXYROKF-IUODEOHRSA-N 311.385 1.890 0 40 DDAB C[C@@H](CCNC(=O)NC[C@@H]1CN(C)CCN1C)c1ccccc1 71897725 WLHVVZNTBDULSK-DOTOQJQBSA-N 318.465 1.725 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccc(F)cc1 71877707 IUAQTHRGGPWZMY-GXTWGEPZSA-N 322.336 1.382 0 40 DDAB CC1(C)COCCN1C(=O)Cc1cnn(-c2ccccc2)n1 71830839 AFVMHKOBOKUEAF-UHFFFAOYSA-N 300.362 1.447 0 40 DDAB CCOC(=O)c1cnn2c(C(F)(F)F)cc(C(=O)O)nc12 72209598 GOKHPSIXIXSCHK-UHFFFAOYSA-N 303.196 1.623 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269543 DOWDFWFSNSXGCK-CQDKDKBSSA-N 321.421 1.453 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)c1cc(Br)cs1 178924833 GAEPSESZNWWGGS-JTQLQIEISA-N 306.181 1.392 0 40 DDAB CCCN1Cc2cccnc2-n2ncc(C(=O)NC3CC3)c2C1 306123553 APYPTSJNJMTLMH-UHFFFAOYSA-N 311.389 1.885 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCn1cncn1 84736508 WYACOZPBDLOIQG-HNNXBMFYSA-N 313.405 1.925 0 40 DDAB C[C@H](CO)CNCc1cc(Br)c2c(c1)OCO2 88195153 OKUDOFPRKWUTFF-QMMMGPOBSA-N 302.168 1.896 0 40 DDAB Cc1nnnn1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 95965696 FWAPXBQFFJQJBJ-UHFFFAOYSA-N 313.283 1.659 0 40 DDAB Nc1nccnc1C(=O)NCC1CCN(c2ccncc2)CC1 89393500 JJSVZIOTVZNOJQ-UHFFFAOYSA-N 312.377 1.100 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@H](C)c2cnn(C)c2C)c(=O)[nH]1 75111265 YQDYPZVZIYQERN-LLVKDONJSA-N 317.393 1.594 0 40 DDAB CC(C)[C@@H](O)CC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 89791257 WRJVODUJQPLDBS-KGLIPLIRSA-N 324.808 1.969 0 40 DDAB CN1CCN(C2CCN(Cc3noc(C4CC4)n3)CC2)C1=O 75604259 DLOLDPOIJGSDKW-UHFFFAOYSA-N 305.382 1.279 0 40 DDAB CNC(=O)c1ccc(N2CCCc3cc(OC)ccc3C2)nn1 74747684 SNYFODQHQMBTSB-UHFFFAOYSA-N 312.373 1.798 0 40 DDAB O=S(=O)(C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 38678662 JPBVSVYXXFSLPG-QPJJXVBHSA-N 306.431 1.810 0 40 DDAB CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 408494096 CWCWLKRFRCRZIP-UPJWGTAASA-N 309.387 1.621 0 40 DDAB CO[C@H]1CCN(c2cc(N3CCOCC3)ncn2)CC1(C)C 519311116 SLIUEQIVCXHAST-ZDUSSCGKSA-N 306.410 1.565 0 40 DDAB Cn1ccc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)n1 524732733 XWRHAMXBBIXHOG-JTQLQIEISA-N 303.351 1.086 0 40 DDAB S=C(NCCN1CCOCC1)Nc1cccnc1Cl 38253266 VZKBAFAJBKXGRE-UHFFFAOYSA-N 300.815 1.354 0 40 DDAB CS(=O)(=O)N1CCC(c2cccc(CCC(=O)O)n2)CC1 72344306 FJUAGHUILVEXQZ-UHFFFAOYSA-N 312.391 1.238 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc2c(c1)CCC2 77937121 CRGXIRNHLONQDV-GDBMZVCRSA-N 316.401 1.781 0 40 DDAB CS(=O)(=O)[C@H]1[C@@H](CO)[C@@H]1c1ccc(Br)cc1 218195615 SRCWXYIAFWGAIY-DCAQKATOSA-N 305.193 1.568 0 40 DDAB CCCCOC(=O)c1ccc(Sc2nnc(C)n2N)c(N)c1 70462378 IMMLOKFDKRWZOE-UHFFFAOYSA-N 321.406 1.991 0 40 DDAB CCn1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cn1 72239565 DGMKWPHQPOWOTQ-ZDUSSCGKSA-N 302.334 1.626 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2CCO)n1 72382632 SHOQJXMVRGJASF-AWEZNQCLSA-N 314.393 1.838 0 40 DDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC 217411853 CEMIPHIVRFODOF-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1ccccn1 72403444 WHVIMXQUOFPSFK-UHFFFAOYSA-N 306.325 1.944 0 40 DDAB COC(=O)c1ccc(NC(=O)NCCc2nc(C)no2)c(C)c1 78978701 ZPZTWRLRBZPCSH-UHFFFAOYSA-N 318.333 1.837 0 40 DDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2ccco2)c1=O 38486400 JTLKVWKAECARGP-UHFFFAOYSA-N 315.329 1.467 0 40 DDAB CNc1c(Br)cncc1S(=O)(=O)N1CCCC1 72210875 CZLXVZGDRNBCDG-UHFFFAOYSA-N 320.212 1.670 0 40 DDAB CC[C@H]1CN(Cc2ccccc2)CCN1CCS(C)(=O)=O 75918231 PEMCVHVVVVRFNU-INIZCTEOSA-N 310.463 1.627 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225671728 HEWQCGPNGGNJIQ-UHFFFAOYSA-N 300.405 1.534 0 40 DDAB CN(C)C(=O)CCNC(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1 223297909 FWVCJAWQALUJOL-MRXNPFEDSA-N 321.352 1.303 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(c2ccc(NC(=O)C(C)C)cc2)C1 45953804 XBEJARIHKQSIHW-LLVKDONJSA-N 304.346 1.807 0 40 DDAB CN(Cc1ccccc1)C(=O)c1cc(N2CCOCC2)on1 224077988 JSHYNNOTYJLTFB-UHFFFAOYSA-N 301.346 1.783 0 40 DDAB C[C@H](C(=O)NCC(=O)N(C)C)n1cc(-c2ccccc2)cn1 227165714 FBUQVXPNPQRVNA-GFCCVEGCSA-N 300.362 1.316 0 40 DDAB COCCNC(=S)Nc1ccc(Sc2ncccn2)nc1 223886751 OGYMJIXXQCAJEC-UHFFFAOYSA-N 321.431 1.956 0 40 DDAB COc1ccc(-c2cnn([C@H](C)C(=O)N3CCOCC3)c2)cc1 227163694 SUIGFPFEILIESU-CYBMUJFWSA-N 315.373 1.979 0 40 DDAB CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)CN(C)C1=O 40465527 ZSHWFDYTHVHKCP-LBPRGKRZSA-N 306.362 1.444 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1c(C)noc1C 195530465 LLSNJIXWQYYOCA-RKLWJJNISA-N 320.389 1.928 0 40 DDAB CC(=O)NCCNC1CCN(c2ccc(N(C)C)cc2)CC1 195573658 NNSXNYOLYSQJIW-UHFFFAOYSA-N 304.438 1.447 0 40 DDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(CC1CC1)C2 96050297 XBWZRLRBHUMFIQ-SFHVURJKSA-N 317.408 1.959 0 40 DDAB CN(C)C(=O)CO[C@@H]1CO[C@@]2(CCN(Cc3ccoc3)C2)C1 96208961 MZHOEIXYHJIIIA-HOCLYGCPSA-N 308.378 1.118 0 40 DDAB Cn1ncc2c1[C@H](COCC1CC1)CN(c1ncc(F)cn1)C2 96198278 GUNAEXPAXIFHBV-ZDUSSCGKSA-N 317.368 1.880 0 40 DDAB COC[C@@H]1CN(Cc2ccccn2)Cc2nnn(CC3CC3)c21 96045564 KCOFOOFVFMYUEN-AWEZNQCLSA-N 313.405 1.829 0 40 DDAB CCN(CC)CC(=O)Nc1cccc(N2CCCNC2=O)c1 96441048 SDMOSIZKGSTJMF-UHFFFAOYSA-N 304.394 1.887 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3O2)n1 96220553 HULNDTAAXBRGMW-DMDPSCGWSA-N 318.333 1.147 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 96056478 PVJJMOGAERWUJT-CVEARBPZSA-N 302.422 1.209 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)/C=C/c1cnn(C)c1C 95441255 OATQTPSNFAPJEI-CGMFHMIKSA-N 317.389 1.446 0 40 DDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CCCCN1Cc1cccnc1 96410109 HZWXKWBQTVFXKO-HNNXBMFYSA-N 312.373 1.763 0 40 DDAB Cc1ccc(NC[C@H]2CCN(Cc3nnnn3C3CC3)C2)nc1 97200826 WHQVPAVEUGWJGG-CYBMUJFWSA-N 313.409 1.645 0 40 DDAB Cn1c(C(=O)OC[C@H]2CCCN2C(N)=O)cc2ccccc21 96442214 PMXNCDAOYFLTJU-GFCCVEGCSA-N 301.346 1.878 0 40 DDAB O=C(NCCS(=O)(=O)CC1CCC1)N1C[C@@H]2CCC[C@H]2C1 97237782 UBKOUVHRPAWFKO-KBPBESRZSA-N 314.451 1.643 0 40 DDAB c1coc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)c1 247884674 CWIDAUCSMXCSKJ-CYBMUJFWSA-N 301.346 1.882 0 40 DDAB COc1ccc(CNC(=O)Cn2cc(C)cn2)cc1C(=O)O 344463582 WDRPLUHGHQYKDQ-UHFFFAOYSA-N 303.318 1.215 0 40 DDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1Cc1c[nH]cn1 257206218 BCLNNWQOFOYZIB-HNNXBMFYSA-N 314.393 1.481 0 40 DDAB C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1O 253370286 OSKIFUPJUNAWOJ-DJIMGWMZSA-N 319.449 1.108 0 40 DDAB COCC[C@@H]1CN(C(=O)C2CCOCC2)Cc2cccn2C1 585095101 FSEDTZYAQXGXQB-AWEZNQCLSA-N 306.406 1.910 0 40 DDAB COc1cc(OC)c(CNC(=O)Nc2nncs2)c(OC)c1 47320308 JIOQLMFRHWSGIB-UHFFFAOYSA-N 324.362 1.886 0 40 DDAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1 69620682 PKHSPVMSAZTBSK-KGLIPLIRSA-N 303.341 1.108 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccon2)C1 84259231 MRIKJMMIZVLXIB-CQSZACIVSA-N 304.350 1.594 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(C)c2ncccc21 12117578 HCFCYEYMIWMJFE-LBPRGKRZSA-N 322.368 1.713 0 40 DDAB CCn1cccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 8477459 YPRZECQWYYDCTC-JLHYYAGUSA-N 301.346 1.912 0 40 DDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2ccncc2)no1 1775963735 BBVWDQKZWIUCPZ-NSHDSACASA-N 315.333 1.078 0 40 DDAB biogenic,in-vitro Cc1cc(OCC2CCN(Cc3ncnn3C)CC2)ccn1 1775995853 LFKALKIHNPMQIQ-UHFFFAOYSA-N 301.394 1.810 0 40 DDAB CC(=O)Nc1ccc(NC(=O)c2cccnc2-n2cncn2)cc1 39551933 PVMUWDPEOOGLHO-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)CCF)C2)CC1=O 1614935273 YKJIKJIMVAZUOF-INIZCTEOSA-N 323.368 1.602 0 40 DDAB Cc1noc(CN2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)n1 2086934242 ZHJPLTQLTYFNGF-TXEJJXNPSA-N 303.341 1.480 0 40 DDAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccno1 10254081 CJYWFTOPQXVVBU-UHFFFAOYSA-N 314.257 1.748 0 40 DDAB Cn1cc(-c2nccnc2CNC(=O)Cc2cccnc2)cn1 575619154 HOUVUPLYHKCCEB-UHFFFAOYSA-N 308.345 1.131 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 102676234 QZDINGCMWIXPPJ-GADBESIXSA-N 316.401 1.442 0 40 DDAB CCc1cc2c(=O)n(CC(=O)N3CCOCC3)c(C)nc2s1 20158316 DJCFZMLBEWXREV-UHFFFAOYSA-N 321.402 1.188 0 40 DDAB O=C(O)C[C@H](c1ccco1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100116367 LBQJCSNPNIVDQG-XXBVRILMSA-N 301.298 1.603 0 40 DDAB COc1cc(NC(=O)COc2c(C)[nH]ccc2=O)cc(OC)c1 40287663 PPOQVNWBARMJIY-UHFFFAOYSA-N 318.329 1.718 0 40 DDAB Cn1cnnc1S(=O)(=O)Cc1ccccc1C(F)(F)F 40540003 WPTWHNRLQHKGNP-UHFFFAOYSA-N 305.281 1.808 0 40 DDAB NC(=O)CCCNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 40523720 SFXQFUQPAMVUIA-JXMROGBWSA-N 315.373 1.208 0 40 DDAB COc1ccc(OCC(=O)N2CCCC[C@H]2C)c(C(N)=O)c1 51970640 OFKUJZCZKSFDCY-LLVKDONJSA-N 306.362 1.574 0 40 DDAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 21607117 CAQXIPQDEFUUOJ-SBMIAAHKSA-N 310.350 1.473 0 40 DDAB CC(C)(C)C(=O)C[C@H](c1ccccc1)C1C(=O)NC(=O)NC1=O 354941 WJFVQYKMDCZICA-LLVKDONJSA-N 316.357 1.758 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCO[C@@H]2CCCC[C@@H]21 46492671 TXBIILMSGUUUSL-ZENOOKHLSA-N 303.358 1.996 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3nc(C)c4ccccc4n3)CCO2)n1 76048812 YSSZACNVJZRTSO-HNNXBMFYSA-N 324.388 1.938 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cncn1)Nc1nccs1 69741475 UZZPBINWHULHSM-NSHDSACASA-N 306.395 1.228 0 40 DDAB CC[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1CCOC 69769901 QJOUQANKOMOVKT-CVEARBPZSA-N 323.412 1.395 0 40 DDAB C[C@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc(Cl)s1 46597878 GWKCMCKYJJMOME-YUMQZZPRSA-N 301.799 1.979 0 40 DDAB CCc1n[nH]c(=S)n1CCNC(=O)Cc1ccc(C)nc1 76088714 PBXOQNOEZWUDTF-UHFFFAOYSA-N 305.407 1.565 0 40 DDAB NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1682830 AMRWXTNTCVUPSY-UHFFFAOYSA-N 310.375 1.132 0 40 DDAB COc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 78788714 VXUKCDCMUKFTQK-JKSUJKDBSA-N 304.390 1.366 0 40 DDAB Cn1ccnc1CCNS(=O)(=O)N1CCC[C@@H]1c1ccco1 78880240 XCGHCQZLRXMJKZ-GFCCVEGCSA-N 324.406 1.227 0 40 DDAB COC(=O)CCc1nc2cc(OC)c(OC)cc2n(C)c1=O 2580744 TWPNCCGVSDCZME-UHFFFAOYSA-N 306.318 1.056 0 40 DDAB in-vitro CCCCC(=O)NC(=S)NNS(=O)(=O)c1ccccc1 2690742 POKLCZSPWCDRPL-UHFFFAOYSA-N 315.420 1.061 0 40 DDAB Cn1nc(C(=O)NC2=NCCS2)c(Cl)c1C(F)(F)F 2766728 KZSBNKCBYZYGPY-UHFFFAOYSA-N 312.704 1.925 0 40 DDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN1CCN(C)CC1 2740153 KMYORJQPMJGBBI-LBPRGKRZSA-N 311.813 1.694 0 40 DDAB COCCCNC(=O)c1cn([C@@H](C)c2ccc(C)cc2)nn1 4985641 ICRHCBZTTGSKIA-ZDUSSCGKSA-N 302.378 1.962 0 40 DDAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)C(C)(C)C 6363769 GHGIFPNJLKWFLJ-UHFFFAOYSA-N 312.347 1.567 0 40 DDAB CCOc1ccc(Br)cc1CNn1nnnc1N 7541711 PEIFFPABZLGJHR-UHFFFAOYSA-N 313.159 1.160 0 40 DDAB COC(=O)c1c(C)cccc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 58014285 WNXSLSRYGQOGEQ-LBPRGKRZSA-N 318.373 1.977 0 40 DDAB O=C(NCCNc1ncccn1)c1ccc(C(F)(F)F)nc1 47104520 PNOCLILYZXBUQQ-UHFFFAOYSA-N 311.267 1.732 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1cccs1)NC(=O)N2 12346741 TWVOLSGTYJDFDC-LBPRGKRZSA-N 307.375 1.235 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1 84200225 GUSGLHDTRSXMKE-CHWSQXEVSA-N 311.426 1.502 0 40 DDAB in-vitro C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 106135183 UMVABPNXGDQVLX-UMVBOHGHSA-N 324.446 1.371 0 40 DDAB O=C(NC(=S)Nc1ccc(F)cc1F)c1csnn1 1387599 RDYSAOBAHSDJTQ-UHFFFAOYSA-N 300.315 1.943 0 40 DDAB CCc1ccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 3185664 LKPOBHQMUOURDX-ZDUSSCGKSA-N 311.403 1.273 0 40 DDAB COc1ccccc1S(=O)(=O)N[C@H]1COc2ccccc2C1 56057642 LPYSRFAHEKMMBD-CYBMUJFWSA-N 319.382 1.977 0 40 DDAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)NCc1ccco1 72300043 XMJZIWAZHISFAL-CYBMUJFWSA-N 316.361 1.993 0 40 DDAB c1nc(NCc2ccc(CN3CCOCC3)cc2)c2cn[nH]c2n1 12547866 JMVXQCGPKDNXOJ-UHFFFAOYSA-N 324.388 1.797 0 40 DDAB O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 58162514 APEVKDOSHKNGAL-CHWSQXEVSA-N 319.357 1.628 0 40 DDAB Cc1cc(C)n(CC(=O)NCc2ccc3c(c2)OCCO3)n1 44889417 UPAUHVGFHNSNMF-UHFFFAOYSA-N 301.346 1.588 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccccc2)CC1 44873257 UIRRHXIVYGQPHG-MRXNPFEDSA-N 321.442 1.902 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1OC(F)F 58305443 SDBFDOPBSAUENC-QMMMGPOBSA-N 322.333 1.091 0 40 DDAB CC(C)=CCC[C@H](C)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 101245269 AYRGGDSIYYYSRA-CNUKPYSBSA-N 305.374 1.988 0 40 DDAB CCCNC(=O)COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 3326910 IWDBEMBWCPVDOW-UHFFFAOYSA-N 310.350 1.491 0 40 DDAB CCNC(=O)CN1CCN(c2nc3ccccc3s2)CC1 29529334 MFVBQLAEYMOFOB-UHFFFAOYSA-N 304.419 1.554 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(c2ncnc3ccccc23)C1 29627379 DXFQJCPLGGDDEC-LBPRGKRZSA-N 320.418 1.395 0 40 DDAB C[C@@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)n1cncn1 46243623 HJAWKWDUKJTCDE-NEPJUHHUSA-N 319.434 1.464 0 40 DDAB c1ccc(-n2nnnc2NC2CCN(c3ncccn3)CC2)cc1 48343065 KONLNRYOHGEJII-UHFFFAOYSA-N 322.376 1.533 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)NC(C)(C)C1=O 12897650 VLQRFLLEXKFMCR-LLVKDONJSA-N 315.373 1.290 0 40 DDAB C[C@H](NC(=O)Cc1ccsc1)c1ccc(S(N)(=O)=O)cc1 3490946 RNROEOMZNKOSTO-JTQLQIEISA-N 324.427 1.815 0 40 DDAB Cc1ccc(N2CCC[C@H](NCc3noc(C4CC4)n3)C2)nn1 69920728 MHSXNDBZYHXGLF-ZDUSSCGKSA-N 314.393 1.804 0 40 DDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F 13087569 TYMJQTRJEPIIBQ-JTQLQIEISA-N 305.302 1.593 0 40 DDAB CS(=O)(=O)CCNC(=O)C1(c2cccc(Cl)c2)CC1 48937803 BQAHGDBPZYEGAF-UHFFFAOYSA-N 301.795 1.532 0 40 DDAB C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)NC1CCCC1 6055319 ZGCLGWMWSLPDJH-XHDPSFHLSA-N 319.357 1.817 0 40 DDAB COc1ccc(/C=C/C(=O)NCCc2cnn(C)c2)cc1OC 49770896 PKPNVWMIPDFDDS-FNORWQNLSA-N 315.373 1.809 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccccc2OC)nn1 5026076 QLQSTLTYPWOSAQ-UHFFFAOYSA-N 304.306 1.102 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC=CCC2)c(=O)[nH]c1=O 14655843 BFWLZGYCXKLLPA-LLVKDONJSA-N 320.393 1.238 0 40 DDAB CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1 67896864 IVMXBOGDWRBNJT-CZUORRHYSA-N 320.389 1.610 0 40 DDAB biogenic,in-vitro Cc1cc(CSc2ccc(S(=O)(=O)N(C)C)cn2)no1 5703100 OAYXDGTVHNXBJP-UHFFFAOYSA-N 313.404 1.921 0 40 DDAB CC(=O)NCCC(=O)N(CCCc1ccccc1)CCN(C)C 66946207 XEDBIOBNYPBFAO-UHFFFAOYSA-N 319.449 1.536 0 40 DDAB COc1ccc2c(c1)C[C@@H](N[C@@H]1CC(=O)N(C3CC3)C1)CC2 90182138 VQSSKJSHNZQOGM-LSDHHAIUSA-N 300.402 1.905 0 40 DDAB COc1cccc(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)c1 7435344 BQZDHNOZMWFWRG-NSHDSACASA-N 305.378 1.220 0 40 DDAB CNC(=O)NC(=O)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 7507492 CWZSCPIDWWPXJJ-CYBMUJFWSA-N 317.370 1.609 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 7813523 OXXCHTPHKDFEJI-GFCCVEGCSA-N 308.403 1.520 0 40 DDAB C[C@H](NC(=O)[C@@H](C)NC(N)=O)c1cccc(N2CCCC2=O)c1 68661284 PXXLOXAECWIHNB-WDEREUQCSA-N 318.377 1.047 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CCOC1 96007703 JNZFMXSIGJKQCE-RKDXNWHRSA-N 324.324 1.804 0 40 DDAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1COCCO1 69420243 IYRLNPXSOJSACL-LBPRGKRZSA-N 317.370 1.982 0 40 DDAB Cn1ccnc1CN1CCN(Cc2nc3ccccc3o2)CC1 69443493 IGQJBICZPJYVNI-UHFFFAOYSA-N 311.389 1.879 0 40 DDAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc[nH]n1 19849690 WHONDUPCGUEUOM-UHFFFAOYSA-N 316.346 1.509 0 40 DDAB Cc1cc(CN2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)no1 84117051 GLKSZMXKUFSCIA-CQSZACIVSA-N 304.398 1.126 0 40 DDAB CCc1csc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 72282187 DUFHTKIRJVSFCK-JTQLQIEISA-N 306.395 1.098 0 40 DDAB CC[C@@H](CC1CCCC1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 72290667 PSHQGORDCINNAR-BLLLJJGKSA-N 307.394 1.403 0 40 DDAB CCCN1CCCN(C(=O)Cc2cccc(C(=O)OC)c2)CC1 95442896 XHYKELFSGFIPSR-UHFFFAOYSA-N 318.417 1.960 0 40 DDAB Cc1cccc(C)c1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 95460648 QTHKFJUTYFCFTP-KGLIPLIRSA-N 304.390 1.669 0 40 DDAB Cc1cc(S(=O)(=O)NC(=O)c2scnc2C)c(C)o1 95989281 WHLGCVNJEFUWIS-UHFFFAOYSA-N 300.361 1.780 0 40 DDAB Cc1cnn(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 95955566 VVMHFJKRGPMXPE-UHFFFAOYSA-N 314.393 1.135 0 40 DDAB NC(=O)[C@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1 95944602 YSMIUHGBHBWBQY-GFCCVEGCSA-N 307.712 1.831 0 40 DDAB CN(C)CCC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 95993325 UMULPXGEKJYOOV-HNNXBMFYSA-N 318.483 1.549 0 40 DDAB CCN(C(=O)N(C)C[C@H](O)CN(C)C)c1ccnc(Cl)c1 95964330 PFRUHOPUPPAPGK-GFCCVEGCSA-N 314.817 1.536 0 40 DDAB CCN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CC(=O)NC1=O 85994086 ZJOZMWHHZUYRQX-LBPRGKRZSA-N 313.313 1.219 0 40 DDAB CCN1CCO[C@@H](CNCC2=Cc3ccc(OC)cc3OC2)C1 75133642 MDUXIQVFNHOLBB-KRWDZBQOSA-N 318.417 1.781 0 40 DDAB COc1cc(/C=C/C(=O)N2CCN(C)C[C@@H]2C)cc(OC)c1 89937696 JHDALDRUUNKDSF-GFUIURDCSA-N 304.390 1.880 0 40 DDAB Cc1cc(OC[C@H](O)CN2CCCNCC2)cc(C)c1Cl 64875886 MWSNLCYBXAVRHV-CQSZACIVSA-N 312.841 1.992 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N1CCOCC1 31924449 CBUSVAYSZYUEGS-LBPRGKRZSA-N 306.362 1.523 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)Cn1c(=O)cnc2ccccc21 69667482 ZKXUDKMUMBPHEC-KBPBESRZSA-N 302.330 1.507 0 40 DDAB C[C@H](Nc1ncc(Br)cn1)C1(S(C)(=O)=O)CC1 517752812 IBPYLNROHCCARX-ZETCQYMHSA-N 320.212 1.617 0 40 DDAB O=C(CCn1cccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 524730305 DYIFPSVLNIIALS-CABCVRRESA-N 311.385 1.686 0 40 DDAB biogenic CCOc1cc(CO)c(Br)cc1OCC(=O)OC 34772775 UDEMKWQJLBXCJK-UHFFFAOYSA-N 319.151 1.892 0 40 DDAB Cc1cc(N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)ncn1 72364098 WCJHVQKFOFFZKO-LLVKDONJSA-N 321.406 1.296 0 40 DDAB Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncn1 75166358 PINUZVLKJWSZTR-UHFFFAOYSA-N 314.364 1.815 0 40 DDAB Cc1occc1C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 79002138 QVVCEBYHRYZYJX-JTQLQIEISA-N 304.268 1.823 0 40 DDAB Cc1ccn(CCNC(=O)COc2ccc3nsnc3c2)n1 36740695 CQNGLPDXIOXCJL-UHFFFAOYSA-N 317.374 1.391 0 40 DDAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)cc1 37732364 FCSXTOXHAYNWLU-CQSZACIVSA-N 307.375 1.944 0 40 DDAB O=C(c1csc(C2CC2)n1)N1CCC(c2nc(O)n[nH]2)CC1 560436438 MJEWYNYHHYYNGX-UHFFFAOYSA-N 319.390 1.864 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)o2)n(C)n1 72241034 BIHQICQIJIDKFQ-ZDUSSCGKSA-N 316.361 1.760 0 40 DDAB O=C(Cn1cnc(NCc2cscn2)n1)N1CCCCCC1 187993409 MUPNMZUWSLWDCB-UHFFFAOYSA-N 320.422 1.749 0 40 DDAB O=C(NCCCn1ccccc1=O)[C@@H]1Cc2cc(F)ccc2O1 76963910 JXQKPIMOVIYDIU-HNNXBMFYSA-N 316.332 1.497 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](N)[C@@H](NC(C)=O)C1 77286930 SEYYJZMDDOOQNB-SOUVJXGZSA-N 312.410 1.285 0 40 DDAB in-vitro Cc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 43979463 PVSXRRKVMVHUGG-UHFFFAOYSA-N 310.419 1.396 0 40 DDAB O=C1NCCN(CCO[C@@H]2CCCCO2)[C@H]1c1ccccc1F 225531749 NYCNCUOINCRIDP-CVEARBPZSA-N 322.380 1.842 0 40 DDAB COc1cc(Cl)ccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 61648925 ULIRPGYAOYUYIF-STQMWFEESA-N 324.808 1.942 0 40 DDAB CCOc1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)cn1 225513682 XPPMTOMVWLJIIF-LBPRGKRZSA-N 300.362 1.625 0 40 DDAB O=C(O)c1cc(=O)n(-c2ccc(Cl)cc2Cl)c(=O)[nH]1 222649878 SNPNLRAPRBATEG-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB O=C(C[C@H]1CSCCN1)NCCc1ccc(F)cc1F 132622779 GIOFAUYSTHFBLH-LBPRGKRZSA-N 300.374 1.719 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCCN(C)C)O2 40808685 JGXCQAORMLULHO-MRXNPFEDSA-N 305.378 1.153 0 40 DDAB CC(=O)Nc1ccc(CN2CC[C@H](C)S(=O)(=O)CC2)cc1 192050729 XHEMKWSBWVFKSK-LBPRGKRZSA-N 310.419 1.654 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1nc(-c2ccsc2)oc1C 195578120 VYJRQWJURWAQBV-DGCLKSJQSA-N 322.386 1.820 0 40 DDAB COCCN1CCc2c(cnc(NC3CCC3)c2C(=O)O)C1 96189225 HVJJCCJAQBDIBQ-UHFFFAOYSA-N 305.378 1.749 0 40 DDAB O=C(COCc1nc(-c2cccnc2)no1)NCc1ccccc1 96182103 AJVNKKIYRLEJEJ-UHFFFAOYSA-N 324.340 1.965 0 40 DDAB Cc1ccc(N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)nn1 96223876 QKMNYZFUNQBLIN-QGZVFWFLSA-N 317.437 1.166 0 40 DDAB CN(CC(=O)NCC(C)(C)c1cccc(F)c1)S(C)(=O)=O 96411080 WIGQLODNDZEXCZ-UHFFFAOYSA-N 316.398 1.111 0 40 DDAB O=S(=O)(CC[C@H]1CCCO1)NCCc1ccc(F)cc1F 96472629 KYMGXWIQNGXACQ-CYBMUJFWSA-N 319.373 1.996 0 40 DDAB N[C@H](c1ccc(Cl)cc1)c1nc(CCN2CCOCC2)n[nH]1 95533985 IUVZTHAGERCKNA-CQSZACIVSA-N 321.812 1.381 0 40 DDAB CCN(C)C[C@@H]1CCN(S(=O)(=O)c2cccc3nonc23)C1 96476653 UNGRWRTXEZRWMQ-NSHDSACASA-N 324.406 1.185 0 40 DDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12 96057188 DWSNKZGGZCRJGV-FMKPAKJESA-N 322.405 1.127 0 40 DDAB COCCN1CCc2ncc(CNc3ccccn3)n2CC1 96197121 GIBGOIIPTKFFFH-UHFFFAOYSA-N 301.394 1.395 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 96461696 VWXQXSXKMGSAIA-PWSUYJOCSA-N 314.382 1.079 0 40 DDAB CCN1CC2(CCN(Cc3ccoc3)CC2)[C@H](COC)C1=O 96206423 UCNOXGBTHQCFGU-OAHLLOKOSA-N 306.406 1.987 0 40 DDAB C[C@@H](Cn1cc(C(=O)O)nn1)N1CCN(c2ccccc2)CC1 96516083 RNIHCAMRXYNEBF-ZDUSSCGKSA-N 315.377 1.187 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(COC)C(N)=S 242728107 YTHJRHNUFOVUBX-SCRDCRAPSA-N 313.444 1.506 0 40 DDAB 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DDAB c1cc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n[nH]1 69518249 HDNJQAFWTKQBFC-ZDUSSCGKSA-N 302.382 1.424 0 40 DDAB CCCn1nnnc1C[S@](=O)[C@@H](C)C(=O)Nc1ccccc1 69565909 NAASGHXTEQPZAO-KPWVOAKYSA-N 321.406 1.359 0 40 DDAB C[C@@H](Nc1ccn(CC(F)(F)F)n1)C(=O)NC(=O)NC1CC1 97060024 GPTHMXWSNCPZRD-SSDOTTSWSA-N 319.287 1.234 0 40 DDAB CC1(CNC(=O)NC[C@]2(O)CCOC2)Cc2ccccc2C1 91936381 BKWDTBULRNFNIO-QGZVFWFLSA-N 304.390 1.242 0 40 DDAB Cc1cnc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cn1 69879625 LYRHJSYFJXATED-OAHLLOKOSA-N 300.410 1.906 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1cccnc1 69811723 YHWNQEJBDGVCDY-BBWFWOEESA-N 317.433 1.754 0 40 DDAB CNC(=O)CCNC(=O)[C@@H](c1ccccc1)N1CCSCC1 69894098 NFGYIMYTMVQWQH-OAHLLOKOSA-N 321.446 1.029 0 40 DDAB CCc1ncc2c(n1)CN(CC(=O)NCc1ccccn1)CC2 69950632 USNNYBGKMAHSNZ-UHFFFAOYSA-N 311.389 1.109 0 40 DDAB CCC(=O)N1CCCN(Cc2cc(=O)n3ccsc3n2)CC1 71817058 BZGXXVSZXDZBLG-UHFFFAOYSA-N 320.418 1.200 0 40 DDAB Cc1cc(NC[C@H](O)COc2c(C)cccc2C)nc(N)n1 71827973 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O=C1COC2(CN1)CN(C(c1ccccc1)c1ccccc1)C2 85652903 LRHIIOKCMVKWJB-UHFFFAOYSA-N 308.381 1.977 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccn1 9945468 PVAHTLOSUJYWTH-JTQLQIEISA-N 323.349 1.526 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccnc(-n3ccnc3)c2)c(=O)[nH]1 75121959 BLAWYJNXAZUUML-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)CCN1C[C@@H](C)O 89949213 LGFUSQDACDONBB-UKRRQHHQSA-N 305.422 1.616 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2CCC(=O)N2CCOCC2)no1 75573270 FHIIWABWGAUZLN-ZDUSSCGKSA-N 322.409 1.579 0 40 DDAB OCc1cn(-c2ccc(I)cc2)cn1 116881038 HLMVLNPMMFYFBL-UHFFFAOYSA-N 300.099 1.969 0 40 DDAB CCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)N(C)C1=S 409040778 YOZQFBHLDXRHJZ-FLIBITNWSA-N 320.370 1.570 0 40 DDAB O=C(N[C@@H]1C[C@@H](NC(=O)c2cocn2)C12CCC2)c1cocn1 1025896047 RHQVHVYTYNUIGA-VXGBXAGGSA-N 316.317 1.134 0 40 DDAB CC(C)CNC(=O)CNC(=O)N[C@H](c1ccccn1)C(C)C 76953934 OQTHIRCJBNBSNA-HNNXBMFYSA-N 306.410 1.850 0 40 DDAB C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CCN(C)C1=O 73101780 SFTUEOVOAVNOFK-HIFRSBDPSA-N 304.390 1.781 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H]1CCCO1 32975810 BJQJKLDCINYVAE-LBPRGKRZSA-N 306.362 1.110 0 40 DDAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@H]2[C@@H]1[C@@H]2C(F)(F)F 39947704 LWSDFMTZOOHKNY-DKXJUACHSA-N 311.256 1.636 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2cnc(O)c3ccccc23)C1 567862611 MCVHQKYEEJSWLZ-JTQLQIEISA-N 300.314 1.877 0 40 DDAB CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H](C)N 79391266 QUSLOZSZQKRIAD-LBPRGKRZSA-N 313.442 1.829 0 40 DDAB CCn1c(=O)n(CCCS(=O)(=O)N(C)C)c2ccccc21 78552115 NPLZLYKCVYFBOF-UHFFFAOYSA-N 311.407 1.104 0 40 DDAB C[C@H]1CN(Cc2nnc(-c3cc4ccccn4n3)o2)C[C@@H](C)O1 40714572 JRZURMSVLGZKJG-TXEJJXNPSA-N 313.361 1.994 0 40 DDAB O=C(O)C1(Oc2cccc(N3CCOCC3)c2)CCOCC1 48081047 GEXFMJWPEVNNDK-UHFFFAOYSA-N 307.346 1.536 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2cccc(OC)c2)c1=O 225967576 UBCINEISTYHGGZ-UHFFFAOYSA-N 316.313 1.620 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226748179 GCLYXZXRBVQVTF-ZDUSSCGKSA-N 310.781 1.594 0 40 DDAB CN1CC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1=O 80029629 LXEDWMPHMAUHEP-MRVPVSSYSA-N 303.145 1.660 0 40 DDAB NC(=O)c1cc(C2CCN(C(=O)Cc3ccsc3)CC2)n[nH]1 225560294 YCDWXESODUWUJD-UHFFFAOYSA-N 318.402 1.519 0 40 DDAB Cc1csc(CCNS(=O)(=O)c2c(C)noc2C)n1 40283522 DYGAUHLZZACTEZ-UHFFFAOYSA-N 301.393 1.577 0 40 DDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cn3nccc3nc1C)C2 573291340 GWLNEUXXELXCLG-CYBMUJFWSA-N 322.372 1.423 0 40 DDAB Cc1nccn1C[C@@H]1CCCN1c1cc(=O)n2ccccc2n1 225597063 LGGSZEMWGVGZMS-AWEZNQCLSA-N 309.373 1.868 0 40 DDAB CSc1nc(C(=O)NCCc2nc[nH]n2)c2ccccn12 96449787 FQPXZQLQJVABOI-UHFFFAOYSA-N 302.363 1.147 0 40 DDAB C1CN(C[C@H]2CCOC2)Cc2c(COCC3CC3)nnn2C1 96256080 UNHZKNSMVLBQDK-CQSZACIVSA-N 306.410 1.447 0 40 DDAB CCO[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 97372150 OPSFZIBCPRKDOF-GXFFZTMASA-N 310.781 1.765 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1cncn1-c1ccccc1)CC2 97198925 MHUOBSDYJITVBL-CYBMUJFWSA-N 322.372 1.517 0 40 DDAB COc1ccc(N2CCC(C(=O)Nc3nccs3)CC2)nn1 95480658 SACXCSXUMHSNEV-UHFFFAOYSA-N 319.390 1.797 0 40 DDAB Nc1nccnc1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 96474181 JKEYGNZSJRKLTQ-NSHDSACASA-N 318.402 1.942 0 40 DDAB COc1ccc([C@H](N)c2n[nH]c(-c3ccccn3)n2)cc1OC 95533822 OCIJFJBTXXWARJ-AWEZNQCLSA-N 311.345 1.932 0 40 DDAB CN(C)CCN1CCC2(CCN(Cc3ccoc3)CC2)C1=O 96046783 RCSSZBOAGNDTHL-UHFFFAOYSA-N 305.422 1.656 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3cccn3C)CC2)nn1 97376882 VCRTWESJRSDMIR-UHFFFAOYSA-N 303.366 1.240 0 40 DDAB CC1CCN(C[C@@H]2OC[C@H](NCc3ccccn3)[C@H]2O)CC1 514289032 MLCUKKVDEPHJMW-YESZJQIVSA-N 305.422 1.031 0 40 DDAB biogenic,in-vitro O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1ccoc1)CC2 96197415 XQJJRXLNSMQYSU-UHFFFAOYSA-N 314.389 1.908 0 40 DDAB C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)O1 97229692 IADKMMGMCJRUKV-FZMZJTMJSA-N 309.797 1.951 0 40 DDAB CCn1nc(C)c(-c2cc(C(=O)Nc3ccn(C)n3)n[nH]2)c1C 95479177 FHWKHSJUPWZOQP-UHFFFAOYSA-N 313.365 1.896 0 40 DDAB CCNC(=O)c1ccc(NC[C@H](C)Cn2nc(C)cc2C)nn1 95411815 FLVXQIXQQLHBIQ-NSHDSACASA-N 316.409 1.788 0 40 DDAB Cc1cc(C)n(CCCNC(=O)[C@H](C)OC[C@H]2CCCCO2)n1 96134073 MLINKZHAYVTHGW-JKSUJKDBSA-N 323.437 1.980 0 40 DDAB C[C@@H](NC(=O)c1c(F)ccc(F)c1F)C(=O)N1CCOCC1 97097023 VAHIXXLWBXDSIV-MRVPVSSYSA-N 316.279 1.081 0 40 DDAB C[C@H]1c2nc(CC(=O)NCCc3cccs3)cn2CCN1C 248132785 NSJLBGPZIWTVKZ-LBPRGKRZSA-N 318.446 1.852 0 40 DDAB C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)O1 245287225 BNIJYIGRCGPPFT-ZLDLUXBVSA-N 305.378 1.551 0 40 DDAB Cc1cnc(N2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@H]3C2)nc1 248109557 GUFINAYCCXZSOK-JSGCOSHPSA-N 312.377 1.008 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257237321 HFYPDTUZEUJLJE-LBPRGKRZSA-N 306.391 1.448 0 40 DDAB Cc1c[nH]c(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)n1 257232096 GJKIQJDLBIPBDY-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB CNc1cc([C@@H]2CCCN2CC2(O)CCOCC2)nc(C)n1 257217895 DBAQFGMDDQOFHC-AWEZNQCLSA-N 306.410 1.505 0 40 DDAB Cc1ncc(-c2cccc([C@@H]3CCCN3S(C)(=O)=O)n2)n1C 257343871 ZUSNEEUVJGKVTH-AWEZNQCLSA-N 320.418 1.887 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 257344839 ZYVCXKYTXSKGGD-ZDUSSCGKSA-N 315.377 1.095 0 40 DDAB Cc1cnn(CC(=O)N2CC(Cc3nccc4cc[nH]c34)C2)c1 257342544 ZPDSXQWNFQHMMD-UHFFFAOYSA-N 309.373 1.769 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)[C@H]1O 257286196 PKRUBCGGILRTTN-YRGRVCCFSA-N 301.745 1.676 0 40 DDAB COc1ccc(CN(C)C(=O)Cn2cc(C(=O)O)cn2)cc1 630102971 PIBJTWOTBIKDOF-UHFFFAOYSA-N 303.318 1.249 0 40 DDAB c1cc(-c2csc(N3CCOCC3)n2)cc(-n2cnnn2)c1 96124532 YIJQAOMRUBRSMT-UHFFFAOYSA-N 314.374 1.622 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1cnn([C@H]2CCOC2)c1 96122989 SREAZBALQIYSLV-AWEZNQCLSA-N 314.345 1.213 0 40 DDAB CNC(=O)C[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585111481 BGVFXLOLYQLHAB-HNNXBMFYSA-N 302.353 1.715 0 40 DDAB CCCOc1ccc2c(c1)OCC(C(=O)N(C)CC(=O)NC)=C2 47752249 CVAVTGDDTPKGCM-UHFFFAOYSA-N 318.373 1.456 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)c1ccnc(N(C)C)c1)C2 69655877 QLNYNDWWPSSLRJ-UHFFFAOYSA-N 314.393 1.519 0 40 DDAB CN(C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1 83858992 GHNVOZNGXVHFIT-QZTJIDSGSA-N 314.433 1.845 0 40 DDAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)N1CCCC1 12239645 YWPSABNNIVVRFR-UHFFFAOYSA-N 324.446 1.665 0 40 DDAB Cc1ccc(=O)n(CC2(O)CCN(Cc3ccsc3)CC2)n1 13226930 ANHYTWIGNCPMHV-UHFFFAOYSA-N 319.430 1.640 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2o1 14810656 XMUJRIFQEMBNRQ-UHFFFAOYSA-N 316.338 1.873 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NCC(=O)NC(C)C 17809522 DXGRSSNLKDNIBA-UHFFFAOYSA-N 316.361 1.135 0 40 DDAB Cc1noc(C)c1C(=O)N1CC(C(=O)N2CCCCCC2)C1 19747463 QTYGYIVFBSQFBD-UHFFFAOYSA-N 305.378 1.766 0 40 DDAB CCCCN(CCCC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C 2475323 CKRAWKBIAZVIHQ-UHFFFAOYSA-N 307.398 1.367 0 40 DDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)[C@H]1CCOC1 238869984 MQZAALSMHJZDKN-QMMMGPOBSA-N 314.267 1.401 0 40 DDAB c1cncc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 1889139891 ZUWIWCPDNJUCPD-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nccs1 4496419 DGJKIUWQAPSJTL-UHFFFAOYSA-N 300.336 1.695 0 40 DDAB CNC(=O)Cn1nc(-c2cccs2)c2sc(C)nc2c1=O 8956044 CPWHRERBEGIWBB-UHFFFAOYSA-N 320.399 1.636 0 40 DDAB O=C1[C@H]2Cc3ccccc3CN2C(=O)[C@@H]2Cc3ccccc3CN12 12377417 GNGZJTLHEDWLAM-HDICACEKSA-N 318.376 1.907 0 40 DDAB CSCCn1c(=N)sc2cc(S(C)(=O)=O)ccc21 100968387 XYWJEWPYHVSPCQ-UHFFFAOYSA-N 302.446 1.949 0 40 DDAB O=S(=O)(N[C@H]1CCCN(CC2CC(F)(F)C2)C1)C1CC1 2086861484 TWWIZNLZAOHZCH-NSHDSACASA-N 308.394 1.578 0 40 DDAB O=C(c1ccccn1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031415 LAZFLMZYIVZICZ-CQSZACIVSA-N 317.414 1.635 0 40 DDAB Cc1noc(C2CN(CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 49482590 GREQWOGSOGOWAN-UHFFFAOYSA-N 316.317 1.145 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)Cc1cccs1)C2 618255996 BRAAUNMWRLDOLQ-GFCCVEGCSA-N 316.430 1.820 0 40 DDAB Cn1c(-c2cccc(-c3n[nH]c(=S)n3C)n2)n[nH]c1=S 205831330 UKWYMRFNIXDASH-UHFFFAOYSA-N 305.392 1.998 0 40 DDAB COC[C@@H](C)NC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 40540174 JAUGLSRRNOJFGM-YGRLFVJLSA-N 321.356 1.056 0 40 DDAB CCNc1nc(Oc2ccc(OC)nn2)nc(N2CCCC2)n1 20726697 DFDGGRLQLGLTSU-UHFFFAOYSA-N 317.353 1.495 0 40 DDAB CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NC)ccc1O 83282 FCBPFSROBUOSAF-ZDUSSCGKSA-N 321.402 1.330 0 40 DDAB NC(=O)c1c(Cl)nsc1S(=O)(=O)Cc1ccccc1 140370 XMRVHPHDWJRJIX-UHFFFAOYSA-N 316.791 1.869 0 40 DDAB O=C(CSc1nc2c(c(=O)[nH]1)CCC2)NC1CCCCC1 11902858 QHPNXSPHLJZZFP-UHFFFAOYSA-N 307.419 1.800 0 40 DDAB Cn1nnnc1SCC(=O)NCCc1ccc(Cl)cc1 2640884 WSIFCKJNDYLTSE-UHFFFAOYSA-N 311.798 1.315 0 40 DDAB Cc1ccc2c(CC(=O)N3CCc4nnc(N)cc4C3)c[nH]c2c1 84208024 VTPVTRLANSYUIW-UHFFFAOYSA-N 321.384 1.976 0 40 DDAB COc1cc(CNC(=O)[C@@H](C)n2cncn2)c2ccccc2n1 76041157 BZCMGWWCBTYGPA-LLVKDONJSA-N 311.345 1.712 0 40 DDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 1476090 VNVRBDDZSYIUJK-MRXNPFEDSA-N 313.353 1.835 0 40 DDAB CC(C)c1nnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900674 HEJCZZAZURQCRK-JTQLQIEISA-N 318.381 1.395 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NNc2ccccn2)cc1 79451012 ZBGAAXKBLGKGGU-UHFFFAOYSA-N 320.374 1.311 0 40 DDAB O=C(NCCc1ccccn1)Nc1cnn(C[C@H]2CCCO2)c1 79820877 VBGXFHWOOGDYEV-OAHLLOKOSA-N 315.377 1.821 0 40 DDAB Cc1sc2nc([C@@H](C)Sc3nnnn3C)[nH]c(=O)c2c1C 3342089 GGXVLCQJDAWVKM-SSDOTTSWSA-N 322.419 1.978 0 40 DDAB C[C@H](OC(=O)Cc1cccc2ccccc12)C(=O)NC(N)=O 3508230 ZZTJAHIJOJOPSR-JTQLQIEISA-N 300.314 1.509 0 40 DDAB O=C(N[C@@H]1COc2ccccc2C1)c1cnc2ccccn2c1=O 53045413 NFXGPGPCOBPHJO-ZDUSSCGKSA-N 321.336 1.428 0 40 DDAB COC(=O)Cc1ccc(NC(=S)NCC(OC)OC)cc1 541654 FOCNXXVNASIRRZ-UHFFFAOYSA-N 312.391 1.307 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)CSC2CCCC2)c1 4871372 FBWOKNRPZJNTEW-UHFFFAOYSA-N 314.432 1.948 0 40 DDAB C[C@@H](NC(=O)Nc1cccnc1)c1cccc(S(N)(=O)=O)c1 53234393 DRMSZZPHNYRYNA-SNVBAGLBSA-N 320.374 1.612 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc2c(c1)OCO2 6606378 CYYYZYUEFIPTEY-LURJTMIESA-N 307.335 1.235 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)CC)c(C)s1 6680121 WPHLEQITGSFNCJ-MRVPVSSYSA-N 304.437 1.883 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1O[C@H]3c4ccccc4[C@@H]1[C@H]32 100349996 QHVLCBUNKCSGKW-WCVJEAGWSA-N 319.320 1.723 0 40 DDAB Cc1ccccc1-n1nc(CSc2nnnn2C)cc1O 10157392 ROFGGYZYIAXUBH-UHFFFAOYSA-N 302.363 1.702 0 40 DDAB COc1ccc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1 10298381 PGPNIXZLJHCPSF-LBPRGKRZSA-N 311.305 1.180 0 40 DDAB CCCc1nc2[nH]c(CSc3nnc(C)s3)cc(=O)n2n1 10338627 ASTQHJHFZRVEMX-UHFFFAOYSA-N 322.419 1.822 0 40 DDAB CCn1cnnc1CNC(=O)COCc1ccccc1Cl 53405135 CIDQCZUAMGUQLQ-UHFFFAOYSA-N 308.769 1.784 0 40 DDAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCOCC1 8499337 IVCQYMJHVUZEMC-KRWDZBQOSA-N 320.433 1.991 0 40 DDAB Cc1nc(NC(=O)NCC2(C(N)=O)CCOCC2)sc1C 47377704 QVLUUROETMZICD-UHFFFAOYSA-N 312.395 1.164 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)c3ccncc3)CC2)nn1 69703611 MFJONQKMZQMZNN-UHFFFAOYSA-N 311.389 1.921 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)CCc1ccc2c(c1)OCO2 42533350 IYYVZEHWNBXQAD-GFCCVEGCSA-N 301.346 1.749 0 40 DDAB CCCCc1nc(C)c(C(=O)NCCN2CCOCC2)s1 42814437 VJYONODAJYAKCD-UHFFFAOYSA-N 311.451 1.856 0 40 DDAB C[S@@](=O)Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1O 97140991 YUQAFCKUSLSZGI-RXSFTSLZSA-N 310.419 1.990 0 40 DDAB Cc1noc(C)c1Cn1cnc2sc(C(N)=O)c(C)c2c1=O 1290767 BRLMZRBFXPKGMI-UHFFFAOYSA-N 318.358 1.518 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)NCc1cc(-c2ccccc2)on1 106557033 IYLLHZXQOLBSOY-NSHDSACASA-N 314.345 1.372 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1C[C@H]2CC[C@H]1C2 106855956 MYLVANPCBTZMPN-UKKRHICBSA-N 304.312 1.702 0 40 DDAB COCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 34889341 HMOAMHRFMORFBT-UHFFFAOYSA-N 319.405 1.033 0 40 DDAB CCCn1nc(C(=O)Nc2cnn(C)c2)c2ccccc2c1=O 25304958 MALNMZOWCKPIHW-UHFFFAOYSA-N 311.345 1.792 0 40 DDAB CC(C)c1noc(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)n1 107059325 AUSVJRQTYPXRNG-BONVTDFDSA-N 321.381 1.003 0 40 DDAB CC(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N(C)C 25451418 FXWJVZMYOKRQMI-OAHLLOKOSA-N 316.405 1.168 0 40 DDAB Cc1nccc(N2CCN(C(=O)NC[C@H]3CC=CCC3)CC2)n1 97136650 UCDRTIDPMOPOSR-HNNXBMFYSA-N 315.421 1.973 0 40 DDAB C[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)c1ccccn1 56127538 UVIQGHHBEGVBCP-JTQLQIEISA-N 311.349 1.062 0 40 DDAB CN1C[C@H](C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CC1=O 56149631 XQIIDEIWEMZBRR-CVEARBPZSA-N 316.401 1.673 0 40 DDAB CC(C)c1nc(CN(C)[C@@H]2CCN([C@H](C)C(=O)N(C)C)C2)no1 108087706 YQZHYKIJGRZGJJ-CHWSQXEVSA-N 323.441 1.176 0 40 DDAB Cc1ccc([C@H](C)NC[C@H]([C@H]2CCOC2)N2CCOCC2)o1 108112911 DJVPENFYRUMLHS-HRCADAONSA-N 308.422 1.976 0 40 DDAB Cc1ncccc1CN1CCN(c2ccc(C(N)=O)cc2)CC1 93534131 CGKCIVSNUYHXAJ-UHFFFAOYSA-N 310.401 1.811 0 40 DDAB CC1CCN(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)CC1 26865442 OTQKYFRCPYTURF-AWEZNQCLSA-N 310.419 1.556 0 40 DDAB O=C(O)[C@H]1Cc2[nH]cnc2[C@H](c2cccc(Br)c2)N1 22107351 YPGQWOXJMNJVIU-MNOVXSKESA-N 322.162 1.861 0 40 DDAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc21 57882750 KBOGFBCATDJORM-GFCCVEGCSA-N 317.389 1.255 0 40 DDAB C[C@@H](C(=O)NC1CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957190 CMCLQFBKSFMUQB-QMMMGPOBSA-N 318.345 1.398 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)NC3[C@H]4CCCC[C@H]34)ccc21 100768704 OJJDUKQOAPKMLX-QWRGUYRKSA-N 322.386 1.598 0 40 DDAB CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCOCC2)cc1 48286761 WSRULADHSXWORL-KGLIPLIRSA-N 306.406 1.983 0 40 DDAB COc1ccc(NC(=O)COC(=O)C2=COCCO2)cc1OC 3329957 ZQGWAGMCTNYMIL-UHFFFAOYSA-N 323.301 1.074 0 40 DDAB CC(C)(C)OC(=O)N1CCC(NC(=O)CCn2cncn2)CC1 58173820 WIBPFRCTZHXOAC-UHFFFAOYSA-N 323.397 1.184 0 40 DDAB Cc1cnc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1 58196884 YKSBQVSWBHCRIN-UHFFFAOYSA-N 320.393 1.868 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)n(C)n1 44945020 HPHNZMQDGWBEJP-SNVBAGLBSA-N 304.398 2.000 0 40 DDAB CCN1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 58404737 IFWLZQDQXRRHHD-HNNXBMFYSA-N 308.447 1.938 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 45654952 KHIQVHOPHZXEAU-MNOVXSKESA-N 314.382 1.621 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2CCC(=O)NC(N)=O)c1 11436679 JOURCXNSZZZHTR-ZDUSSCGKSA-N 321.377 1.426 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cccnc1OC 48414811 BEABZXGVGLFAQV-ZDUSSCGKSA-N 317.345 1.954 0 40 DDAB CCn1ccc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 13016752 UGYZUROGRSAMEB-UHFFFAOYSA-N 313.357 1.157 0 40 DDAB Cn1cc(NC(=S)Nc2ccc3c(c2)OCO3)c(C(N)=O)n1 13329403 YYNFGRJEERULQQ-UHFFFAOYSA-N 319.346 1.057 0 40 DDAB CN(C)C[C@H]1CCCCN1C(=O)CS(=O)(=O)C1CCCC1 69980586 YSMOEBFQIZAQON-CYBMUJFWSA-N 316.467 1.287 0 40 DDAB CCCCNC(=O)COC(=O)c1ccc(=O)n(CCCC)n1 39572029 WYTOUBOCJXEXTF-UHFFFAOYSA-N 309.366 1.117 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCc2ccccc2C1 13793999 LEQMRWVFYGZLEC-OAHLLOKOSA-N 322.430 1.385 0 40 DDAB CC(C)(C)[C@@H]1CCCC[C@@H]1NCC(=O)NCC(=O)N1CCCC1 65493347 CUUZZFVFTXAEDN-CABCVRRESA-N 323.481 1.920 0 40 DDAB O=C(COC(=O)c1ccoc1)c1c[nH]c(C(=O)N2CCCC2)c1 14020223 BZFZZIOAPHNXFK-UHFFFAOYSA-N 316.313 1.883 0 40 DDAB CC(C)CNC(=O)COC(=O)C(=O)NCCCc1ccccc1 65594525 UCSBGXSOTHMWHO-UHFFFAOYSA-N 320.389 1.051 0 40 DDAB CN1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1 65549535 UBYLLKACHRWUPH-UHFFFAOYSA-N 310.401 1.763 0 40 DDAB Cc1cc(F)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 14110478 LXQOFRPAZZYMTG-UHFFFAOYSA-N 314.382 1.744 0 40 DDAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc(C)no1 14142927 KDIYIOIOJJPISK-QMMMGPOBSA-N 324.362 1.974 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1CN1CCc2sccc2C1 14309491 BAOBRZLINAMECA-UHFFFAOYSA-N 305.403 1.928 0 40 DDAB CNC(=O)NCC(=O)Nc1ccnn1-c1cccc(Cl)c1 90042043 KWJSEDCLJVQKBR-UHFFFAOYSA-N 307.741 1.393 0 40 DDAB O=C(NCc1nnc2n1CCC2)N[C@@H]1CCC[C@H](C2CC2)C1 80574668 SSEIFTOJMBNPMK-QWHCGFSZSA-N 303.410 1.992 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(F)cc1 7627039 ONJIQPUPSCNOSD-NSHDSACASA-N 308.353 1.820 0 40 DDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H](n2cccn2)C1 69418365 IBDAZJYIGGHLDG-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB C[C@H](NCc1ccc(OCC(N)=O)cc1)[C@@H](C)n1cccn1 69418078 CINBDFPFAQHPFR-QWHCGFSZSA-N 302.378 1.487 0 40 DDAB Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)nn1C(C)(C)C 69532630 OXNJTXARSAXCJH-LBPRGKRZSA-N 306.410 1.817 0 40 DDAB COc1cccc(S(=O)(=O)CCN2CC(n3cccn3)C2)c1 69564648 CBSFULKWCAVEMK-UHFFFAOYSA-N 321.402 1.222 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)c(C)c1 69673871 JCCUBTMJMQYXIH-UHFFFAOYSA-N 306.343 1.977 0 40 DDAB OCCN1CCN(C[C@H](O)c2ccc(C3CCCC3)cc2)CC1 19802319 NURZPQPVXHSGBZ-IBGZPJMESA-N 318.461 1.988 0 40 DDAB COc1ccc(F)cc1CSCC(=O)N1CCNC(=O)C1 96403353 YPVRIOJVYYLPQN-UHFFFAOYSA-N 312.366 1.026 0 40 DDAB COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 71890911 CVSGYGSJDGRIHS-VIFPVBQESA-N 305.334 1.059 0 40 DDAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)CN(C)C(C)=O 71847827 VSNMICKNZVPUEV-UHFFFAOYSA-N 324.352 1.196 0 40 DDAB C[C@H](CS(C)(=O)=O)Nc1ccnc(Cc2ccccc2)n1 97379190 UNSNQQAXSCMOSJ-GFCCVEGCSA-N 305.403 1.912 0 40 DDAB C[C@H](C(=O)OCc1cccc2cccnc12)N1CCOCC1 71921298 MJDYLYBIAOLYJX-CYBMUJFWSA-N 300.358 1.999 0 40 DDAB CCN1CCN(c2nc(-c3ccccc3OC)cc(=O)[nH]2)CC1 9698508 JABWHCQVHDIBKA-UHFFFAOYSA-N 314.389 1.587 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n1 72253268 MKSOCWWADJPOLH-CQSZACIVSA-N 314.389 1.676 0 40 DDAB COc1ccc([C@H](CO)N(C)C(=O)c2cn(C)nc2C)cc1 95465493 XWRASCXJHRHFGO-HNNXBMFYSA-N 303.362 1.543 0 40 DDAB C[C@@H]1C[C@H](OC(=O)c2cncc(Br)c2)C(=O)O1 95955840 DZSUTQVUIYBJSN-MUWHJKNJSA-N 300.108 1.705 0 40 DDAB COC[C@@H](O)CNC(=O)c1nn(-c2ccccc2Cl)cc1C 95980949 AYOLNBSGIIQGTI-NSHDSACASA-N 323.780 1.571 0 40 DDAB O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nnsc1Cl 95947690 UMABOPIEGJBGQN-UHFFFAOYSA-N 312.782 1.802 0 40 DDAB CC(=O)Oc1ccc(Cl)cc1/C=c1\sc2ncnn2c1=O 28294905 AEKXAKMYMGBENL-WZUFQYTHSA-N 321.745 1.277 0 40 DDAB CCC[C@@](C)(NC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)O 95989403 VWMCLNKBFVOLNO-MRXNPFEDSA-N 316.361 1.569 0 40 DDAB Cc1ccc2nc(CN3CCS(=O)(=O)[C@H](C)[C@@H]3C)cn2c1 89666036 DRWWWQNTOMUTSL-QWHCGFSZSA-N 307.419 1.650 0 40 DDAB CCCOC(=O)c1ccc(NC(=O)N(C)C[C@H](O)COC)cc1 75572772 VUWQQRPWXZIVJZ-AWEZNQCLSA-N 324.377 1.724 0 40 DDAB NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409171476 CABLOQZFPHIQJW-CMDGGOBGSA-N 306.343 1.257 0 40 DDAB COc1ccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)cn1 61719692 JKIHBJWRTCPAQR-UHFFFAOYSA-N 316.342 1.949 0 40 DDAB CS[C@@H](C)C(=O)N(CCCO)S(=O)(=O)c1cccs1 78411427 LRTASSULNKIFGE-VIFPVBQESA-N 323.461 1.399 0 40 DDAB COc1cc2c(cc1OC)[C@@H](c1ccnn1C)N(C(C)=O)CC2 72342682 DXKVNCIGMJBLGP-KRWDZBQOSA-N 315.373 1.931 0 40 DDAB Cc1cc(CCO)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222626 CPPJPTHIPVXGHF-UHFFFAOYSA-N 321.421 1.982 0 40 DDAB Cc1ccnc(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)n1 35315942 NYNDNEXVJUPAOA-OAHLLOKOSA-N 311.389 1.713 0 40 DDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1cncnc1 72394831 HIZIHBPGSBOGQW-HNNXBMFYSA-N 312.373 1.442 0 40 DDAB O=C(C1CC1)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1 72341956 OKVISYHNMQXADN-CQSZACIVSA-N 313.361 1.003 0 40 DDAB Cc1nnc([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)o1 49169273 FQHACPKWADLUAC-ZDUSSCGKSA-N 321.402 1.771 0 40 DDAB biogenic,in-vitro CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)o1 573007824 KRGCKXDDWBWVGL-SNVBAGLBSA-N 318.381 1.454 0 40 DDAB CCN1CC2(CN(Cc3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514289134 IHKULDNGWBVDKQ-DLBZAZTESA-N 301.434 1.012 0 40 DDAB biogenic,in-vitro CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 222745607 FVPNTMOHKSBIIF-CJNGLKHVSA-N 304.390 1.719 0 40 DDAB Cc1ccc(C[C@H](CO)Nc2ncc(C(=O)O)cn2)cc1C 573327420 JVYIZQRNYJFNDX-CQSZACIVSA-N 301.346 1.807 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)CCc1ccc(O)cc1 195563090 UBYQPLKAGWTRGQ-UHFFFAOYSA-N 314.389 1.839 0 40 DDAB O=C(NC[C@]1(O)CCSC1)[C@@H]1CCCN1Cc1ccccc1 81999523 VUXHSEMOHCDVQZ-DOTOQJQBSA-N 320.458 1.635 0 40 DDAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(S(C)(=O)=O)CC2 96199668 RETUQSCHVQKTCL-AWEZNQCLSA-N 322.430 1.427 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)S1 96426965 FRIYJDRIULUWBD-SNVBAGLBSA-N 320.418 1.801 0 40 DDAB C[C@@H]1OCC[C@@]1(C)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 332881058 VTJPPEKYCZVIFC-HEHGZKQESA-N 319.409 1.312 0 40 DDAB Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)n1 96043415 WTCXGCXQNIUCST-BRWVUGGUSA-N 317.433 1.705 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)c1nc(C)no1 95437676 KOHKFSUOIDIZDD-VIFPVBQESA-N 320.397 1.797 0 40 DDAB Cc1cc(C(=O)NC[C@@H](Cc2ccccc2C)C(=O)O)n(C)n1 97228535 FTBOPZCKNPTCRY-CQSZACIVSA-N 315.373 1.710 0 40 DDAB O=C1NC2(CCN(C(=O)c3ccc[nH]3)CC2)C[C@@H]1c1cccnc1 96069584 HJZIEKCCGGVFMW-CQSZACIVSA-N 324.384 1.688 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(C(=O)c3cccs3)CC2)O1 96061146 GSVQJEUWFZNEGT-LBPRGKRZSA-N 322.430 1.990 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](C)C(=O)O)cc1 237340986 HMLHPMNXHOETKR-YPMHNXCESA-N 304.346 1.075 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(COCc3cnc(N(C)C)nc32)C1 96244029 NRDLKOQMBWSAMT-INIZCTEOSA-N 304.394 1.199 0 40 DDAB Cc1ccc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)nn1 247906158 JWNHVEGIWWYZEC-AWEZNQCLSA-N 312.373 1.997 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1(CN)COC 242437509 CDXPMXLRYGCAKL-MJBXVCDLSA-N 301.383 1.318 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1)C1CC1 252490132 KJXHXJJMQPWOBI-KCQAQPDRSA-N 307.438 1.139 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257297549 RHTDAESRMQCMBZ-LBPRGKRZSA-N 316.361 1.736 0 40 DDAB COc1cc(CCC(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)on1 257323038 WIMYYDWTEVQTQE-LALPHHSUSA-N 312.366 1.051 0 40 DDAB CC(=O)N1CCN(CCCc2ccccc2)[C@H](C(=O)N(C)C)C1 257342765 ZQBRNTFHYVNUDW-KRWDZBQOSA-N 317.433 1.240 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O)c1cscn1 257343220 ZRYQALPICOCGGU-TZMCWYRMSA-N 321.377 1.257 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1O 257255852 KJCNSBXXWZPRDY-FXPVBKGRSA-N 321.299 1.049 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)COc1cccc(F)c1 257245077 INZYJNAZDTXWIE-CQSZACIVSA-N 319.336 1.836 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@H]1c1ccn[nH]1 257339632 ZCOHJTCZHRDALM-CQSZACIVSA-N 307.300 1.831 0 40 DDAB CN(C)Cc1cn(-c2ccccc2C(=O)N2CCOCC2)cn1 257244788 IMTIZVXWCGUCDT-UHFFFAOYSA-N 314.389 1.406 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCn2nccc2C1 253472752 PCNVMVNDIMCMAV-ZHZWZMEUSA-N 303.387 1.788 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CNC(=O)c1ccon1 252487560 HXQUULOCAQMVJO-GXFFZTMASA-N 318.333 1.333 0 40 DDAB COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2cc[nH]n2)n1 257226399 FKMWBKYAKPZAOW-CQSZACIVSA-N 315.377 1.875 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 575405680 ZHKGSODBAWHVTP-JSGCOSHPSA-N 305.399 1.723 0 40 DDAB Cn1cccc(C(=O)NC[C@@H](c2ccco2)n2cccn2)c1=O 575604609 AKKGYKJNYXCAGQ-ZDUSSCGKSA-N 312.329 1.194 0 40 DDAB CCn1ccnc(N2CCC(Nc3ncccc3F)CC2)c1=O 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CO[C@H]1CCN(C(=O)c2coc(Br)c2)[C@@H](CN)C1 195557533 FRNDECJAVCENBQ-ZJUUUORDSA-N 317.183 1.620 0 40 DDAB O=C(Cn1nnc2ccccc21)N[C@H]1CCN(c2ccccn2)C1 178954018 SIPKQYWJAQYQIV-ZDUSSCGKSA-N 322.372 1.221 0 40 DDAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC(N)=O 5533386 ZBBHRSGZUKKPAL-YFKPBYRVSA-N 305.117 1.734 0 40 DDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCCC3)nc12 12182048 XQRRYXAKGFNSKE-UHFFFAOYSA-N 310.357 1.580 0 40 DDAB COc1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(OC)c1 13119508 IXLUKWQAVUSBKF-CRWXNKLISA-N 321.329 1.521 0 40 DDAB O=C(NCc1ccccc1)NCc1nc(-c2cccnc2)n[nH]1 13565296 KSZJZINACDITIM-UHFFFAOYSA-N 308.345 1.866 0 40 DDAB CN(C)CN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21 14608285 CYBZRAMBFMZSKG-GOSISDBHSA-N 323.352 1.528 0 40 DDAB O=C(CN1CCOCC1)Nc1nnc(-c2cccs2)s1 19897411 OUFSGKHVEYHBKQ-UHFFFAOYSA-N 310.404 1.537 0 40 DDAB Cc1cc(O)nc(N2CCC(NC(=O)C3CCOCC3)CC2)n1 238973068 ZPCGLBQLORRTDR-UHFFFAOYSA-N 320.393 1.002 0 40 DDAB O=c1[nH]c2sc3ncccc3c2c(=O)n1C[C@H]1CCCO1 1888918265 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0 40 DDAB CC[C@@H](c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1 413524 MTYVGABJFDXAGR-ZDUSSCGKSA-N 306.414 1.437 0 40 DDAB CCOC(=O)Nc1nnc(SCC(=O)NC2CC2)s1 69570037 PNECVLHQDKINFK-UHFFFAOYSA-N 302.381 1.477 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 1094400 OZRBXXXXHHQBCE-OAHLLOKOSA-N 318.398 1.370 0 40 DDAB O=c1[nH]c(NCCCOC[C@H]2CCOC2)nc2ccccc12 77229587 CGFVHCOIRKEOJL-GFCCVEGCSA-N 303.362 1.778 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C)ccc1=O 77737049 XGVHAXHVMQHVAS-OLZOCXBDSA-N 319.405 1.749 0 40 DDAB O=C(c1ccc2c(c1)COC2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788873 HVXMSZQDXCYBNN-SJORKVTESA-N 316.401 1.388 0 40 DDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)NC2CCOCC2)o1 78880046 NYORYGKCQBSRQF-ZDUSSCGKSA-N 314.407 1.738 0 40 DDAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccco1 2492028 GCMJWSXAGLMMGK-SNVBAGLBSA-N 319.264 1.213 0 40 DDAB NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 2653665 JBZDSIIAHVPKLU-UHFFFAOYSA-N 320.326 1.285 0 40 DDAB CC(C)CNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 4995603 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CC(=O)NCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106629944 HISKARQYHIUDJD-CZUORRHYSA-N 303.406 1.464 0 40 DDAB COC(=O)C1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 100260224 HHZUSMYIDIAMKH-IAGOWNOFSA-N 323.389 1.520 0 40 DDAB O=C(NCC1=COCCO1)c1cccc(OC[C@@H]2CCCO2)c1 72301384 OBOHJNNBLRAWRQ-HNNXBMFYSA-N 319.357 1.862 0 40 DDAB O=C(NC1CC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10036052 MWKSSLFYUADWFL-UHFFFAOYSA-N 323.418 1.301 0 40 DDAB CN1N=C(c2ccc3c(c2)NC(=O)CO3)C[C@H]1c1cnn(C)c1 58174956 CKONDFVSKFQAPI-AWEZNQCLSA-N 311.345 1.532 0 40 DDAB O=C(NCCn1ccnc1)c1cccc(OC[C@H]2CCCO2)c1 44896946 ANTMVVWSNZPUPZ-MRXNPFEDSA-N 315.373 1.871 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1F)C(=O)N(C)C 58265564 QPQDJRBXCOPKPL-LBPRGKRZSA-N 320.361 1.356 0 40 DDAB CN(C)c1ccc(CNC(=O)CCNc2ncccn2)cn1 48236746 WPIGMEQOFVKLLY-UHFFFAOYSA-N 300.366 1.056 0 40 DDAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCC(F)(F)F 44908730 FOLUDAIYCYCTIK-UHFFFAOYSA-N 303.215 1.214 0 40 DDAB CCn1cnnc1CNC(=O)c1ccc2c(c1)NC(=O)CS2 44943814 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COC(=O)C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(C)cc1 12877281 MIAREPJOEORIFB-AWEZNQCLSA-N 314.341 1.718 0 40 DDAB COc1ccc(CNC(=O)COC(=O)c2ccco2)cc1OC 3514518 VKLVRRGKAAHHEX-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB NC(=O)CN(Cc1ccc(Br)cc1)Cc1cnoc1 48839056 JFLVUERGZLYOGN-UHFFFAOYSA-N 324.178 1.925 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCO1 48920186 FKACUQVDVWROHQ-GFCCVEGCSA-N 317.794 1.409 0 40 DDAB CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 408707185 HXHLGALLANYEJX-AWEZNQCLSA-N 304.390 1.958 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 69810346 WOBGHEWLIFIDNG-HNNXBMFYSA-N 324.396 1.289 0 40 DDAB CCS(=O)(=O)N1c2ccc(C(=O)NC3CC3)cc2C[C@H]1C 20448866 KDJWEKUSNXSLLL-SNVBAGLBSA-N 308.403 1.680 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)CS(=O)(=O)CC)C1 69929724 FDGMZWBDVSRZDX-LBPRGKRZSA-N 313.423 1.044 0 40 DDAB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1 8777629 GDMMFBDFDBIOOO-SECBINFHSA-N 320.301 1.881 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCNc1cnccn1 65393952 JHSPYAQGQVJCEM-NHYWBVRUSA-N 314.345 1.233 0 40 DDAB COc1ccc2nc(NC(=O)N3CC[C@@H](C(N)=O)C3)sc2c1 65537412 AYAGIKQETVXWFR-MRVPVSSYSA-N 320.374 1.644 0 40 DDAB Cc1cc(N2CCC(N(C)C(=O)[C@@H]3CCCO3)CC2)nc(C)n1 65625736 YDLIQRUAMFMPPI-HNNXBMFYSA-N 318.421 1.700 0 40 DDAB CCCCn1c(N)c(N(C)CC2CCCCC2)c(=O)[nH]c1=O 8988448 CTPHMTQLVZEXTH-UHFFFAOYSA-N 308.426 1.935 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H]1C 66058291 KARHHDBPYMZIEM-GRRKEVBASA-N 321.421 1.648 0 40 DDAB CN1[C@@H](Cc2ccccc2O)[C@H](O)c2ccccc2S1(=O)=O 9053785 JTNFSXJUIOVEDA-XJKSGUPXSA-N 319.382 1.671 0 40 DDAB CCOC(=O)C[C@H](c1cccs1)c1oc(CO)cc(=O)c1O 71282915 NYOQLULDIWZIBZ-SNVBAGLBSA-N 324.354 1.984 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 67272303 PMJNVGLYRJQOCM-KBPBESRZSA-N 316.467 1.048 0 40 DDAB COCCc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 7736530 RUWFOPQSPNTBLY-UHFFFAOYSA-N 324.427 1.922 0 40 DDAB O=C(CN1CSCC1=O)Nc1cccc(C(=O)NC2CC2)c1 8074538 GMJHXPKVVHWXEC-UHFFFAOYSA-N 319.386 1.050 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 70013400 BDDGJIRVPORJKW-JSGCOSHPSA-N 307.438 1.376 0 40 DDAB CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nccn1C 69348639 PBZCOSIXOCZNNW-LBPRGKRZSA-N 313.423 1.126 0 40 DDAB Cc1noc([C@H](C)N2CCN(c3ncnc4[nH]ccc34)CC2)n1 69376858 DVAIRYGWYQQHKM-JTQLQIEISA-N 313.365 1.533 0 40 DDAB C[C@H](NC(=O)COc1cccc2c1CCCC2)C(=O)N(C)C 96475838 UKEDMAHYMRLUAD-LBPRGKRZSA-N 304.390 1.537 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCn2ncnc21 71826675 RMUGODQQSZFDNR-MFKMUULPSA-N 300.318 1.243 0 40 DDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(CC2CC2)CC1 71829928 LTHHUUOHRUEJLB-UHFFFAOYSA-N 311.389 1.435 0 40 DDAB CCCCOc1ccc(C(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cc1 71921335 ZDBCWKFXHZUSPI-BXUZGUMPSA-N 309.362 1.518 0 40 DDAB CCOCCOC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 71913739 WFAVFYKZJUIAEX-JTQLQIEISA-N 305.396 1.876 0 40 DDAB CC(CO)(CO)NC(=O)c1cc(Cl)ccc1Br 97098035 DOMXWJKNEJIHOR-UHFFFAOYSA-N 322.586 1.576 0 40 DDAB Cc1cccc(C[C@H](CNC(=O)c2ncoc2C)C(=O)O)c1 97036029 SOZAUBUEJCPYSB-CYBMUJFWSA-N 302.330 1.965 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@H](C(C)C)N2CCCC2)CC1 72268889 LDAJXPHLSFBRJO-CVEARBPZSA-N 311.470 1.022 0 40 DDAB CC(C)(CNC(=O)NCCOc1ccc(F)c(F)c1)C(N)=O 72270136 CAPIGGOUDCDZSW-UHFFFAOYSA-N 315.320 1.154 0 40 DDAB CC(C)(NC(=O)NCc1nnc2n1CCC2)c1nccs1 95397946 GMSNSJQJCNSHFM-UHFFFAOYSA-N 306.395 1.415 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 95392675 CWSSDGRLEYZUSZ-LSDHHAIUSA-N 301.390 1.512 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 84686621 KSOKHBOIWDMEDN-HLLBOEOZSA-N 318.417 1.227 0 40 DDAB CCS(=O)(=O)N(C)CCCN[C@H]1CC(C)(C)OC1(C)C 95420341 FMWOCWDGRKQWGD-LBPRGKRZSA-N 306.472 1.594 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CCN[C@@H](C)C1 88059021 NTYCIBIMJJHISM-VIFPVBQESA-N 300.200 1.704 0 40 DDAB C[C@@](O)(CNC(=O)c1csc(Br)c1)C(=O)O 85231513 HSKCHDNPDUGTMY-SECBINFHSA-N 308.153 1.076 0 40 DDAB C[C@H](NC(=O)NCC1(N(C)C)CCOCC1)c1ccccn1 74003033 QIJZDVMEQWENMT-ZDUSSCGKSA-N 306.410 1.553 0 40 DDAB Cc1noc(C)c1CNC(=O)NC[C@H](O)c1ccc(F)cc1 95955242 JTQALVXPLVFZQN-AWEZNQCLSA-N 307.325 1.963 0 40 DDAB Cc1c(C(=O)NC[C@H](C)C(=O)O)cnn1Cc1ccccc1 95970592 AQZDQHDGINFIQE-NSHDSACASA-N 301.346 1.690 0 40 DDAB Cc1cccc(C)c1NCC(=O)N[C@H]1CCCS(=O)(=O)C1 89688847 ACLNEGNXCVGOHR-ZDUSSCGKSA-N 310.419 1.409 0 40 DDAB O=C(NC1CC1)C1(C(=O)N2CC[C@H](CN3CCCC3)C2)CCC1 89819096 JFMPKGOZTMIALN-CQSZACIVSA-N 319.449 1.380 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)nc1 89885015 ZCSABGBPVANEJV-ZDUSSCGKSA-N 313.361 1.072 0 40 DDAB CCC(CC)[C@@H](O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O 89943126 RVUNEIWSRXQRMI-LBPRGKRZSA-N 323.437 1.903 0 40 DDAB CCCCOC(=O)C[C@@H](C(=O)OCCCC)N1CCNCC1 22859524 WSVZQUMQUCBMHT-AWEZNQCLSA-N 314.426 1.337 0 40 DDAB O=C1C[C@H](N2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1 110677799 WRYZXZTUYUUWRD-MAUKXSAKSA-N 314.385 1.427 0 40 DDAB C[C@@H]1NCCC[C@@H]1NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 1548561958 IBWVURWLVFRDFP-JDFRZJQESA-N 301.390 1.826 0 40 DDAB O=C(C[C@@]1(O)CCCNC1)Nc1c[nH]nc1-c1ccccc1 1548557213 KXKNNKGPTWXRLT-INIZCTEOSA-N 300.362 1.520 0 40 DDAB CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@H]1CCCN1C 548012736 HZWSOXSALTXGTP-RDBSUJKOSA-N 321.425 1.126 0 40 DDAB COc1cc(N[C@@H]2CCN(c3ccccc3F)C2=O)nn1C 548140095 AMWFHAZBLCYKCU-LLVKDONJSA-N 304.325 1.785 0 40 DDAB COc1ncc(CN2C[C@H](CO)OC(C)(C)C2)cc1Cl 516270564 QWMHNRWZWMMEJE-LLVKDONJSA-N 300.786 1.715 0 40 DDAB CCCCS(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36071032 QKVCQXJNCHNPJL-OAHLLOKOSA-N 322.430 1.558 0 40 DDAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1NCc2ncncc21 1553368943 MVEKWXRZSRVSHQ-CQSZACIVSA-N 302.765 1.933 0 40 DDAB CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccccn1 536949737 WLEJPYXRAKIOGF-NEPJUHHUSA-N 310.350 1.571 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 72238033 SGHHLWGUZWCROH-COXVUDFISA-N 316.401 1.843 0 40 DDAB CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)OCC 71873567 QXELSODIWMVNCI-GJZGRUSLSA-N 305.374 1.861 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79391400 WHNQPDSOQMKUQU-OLZOCXBDSA-N 313.442 1.828 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NCc1nc(-c2ccncc2)no1 72401512 KCTMLHKLEZHQRA-QWRGUYRKSA-N 316.317 1.105 0 40 DDAB CCOC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 39297957 FJMIIVRCQWRALB-NSHDSACASA-N 302.371 1.215 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1noc3ccccc13)CC2 71851754 DXZHTQIIZCZIOK-NSHDSACASA-N 311.345 1.401 0 40 DDAB CC(C)(O)[C@H]1CCCN1C(=O)N[C@H]1COc2ccccc2C1 185518057 QJORCYHIHYRCNP-UKRRQHHQSA-N 304.390 1.935 0 40 DDAB Cc1c(Cl)c(C(=O)N2CCCN(CC3CC3)CC2)nn1C 72252845 IUUXWVAEWUOPLA-UHFFFAOYSA-N 310.829 1.940 0 40 DDAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)[C@@H]1CCCO1 72324400 PTQWZTKNIIWOOJ-DOMZBBRYSA-N 319.405 1.196 0 40 DDAB CNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 225979784 DQMJOGOJCFXSLE-UHFFFAOYSA-N 318.398 1.800 0 40 DDAB Cc1cc(CNC(=O)C[C@@H](CC(=O)O)c2ccccc2)n(C)n1 226748843 QGIMJPWLLKGLRF-AWEZNQCLSA-N 315.373 1.993 0 40 DDAB O[C@]1(CNC2CCN(CCC(F)(F)F)CC2)CCSC1 195556449 SHGCXERDCRXNHE-LBPRGKRZSA-N 312.401 1.861 0 40 DDAB O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CCCOC1 81356567 YYBFJKMKYAHMAN-MRXNPFEDSA-N 317.433 1.494 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC(c3nc(C)no3)CC2)n1 40714645 LPKMQDFVIPEIQD-UHFFFAOYSA-N 317.393 1.988 0 40 DDAB O=C(Cn1cnnn1)N1CC[C@@H](CSc2ccccc2)C1 81287479 FZSAQBJISPITHE-GFCCVEGCSA-N 303.391 1.314 0 40 DDAB O=C(O)[C@@H]1C=C[C@H](NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1 573426313 NWSQPPFZWUZAEE-ZOBORPQBSA-N 307.371 1.491 0 40 DDAB Cc1nc([C@H]2C[C@H]3CN(C(=O)C4CCOCC4)CC[C@@H]3O2)no1 96046010 JXLMJULMZOCPDB-MELADBBJSA-N 321.377 1.483 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1cscn1)OCC2 96044302 SDWGFYXLHJVINU-LBPRGKRZSA-N 322.390 1.030 0 40 DDAB CC(C)N(CCS(C)(=O)=O)CC(=O)N1C[C@@H](C)C[C@@H](C)C1 96485419 RWYYGXDJIJVKMD-OKILXGFUSA-N 318.483 1.246 0 40 DDAB NC(=O)[C@H]1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)O1 96470862 BCOTZYDTPABFDO-OIBJUYFYSA-N 300.717 1.242 0 40 DDAB c1cnn(CCCO[C@@H]2CN(CC3CC3)[C@@H]3CCCO[C@H]23)c1 96042574 GVLHZXIJQYPFES-ZACQAIPSSA-N 305.422 1.932 0 40 DDAB O=C(c1cnccn1)N1CCc2ncnc(-c3ccoc3)c2CC1 96255168 YRNUGBDNRCNHND-UHFFFAOYSA-N 321.340 1.768 0 40 DDAB CN1CC[C@@H](NC(=O)COc2cc(Cl)cc(Cl)c2)C1=O 96431192 HEIFELBETBILOO-LLVKDONJSA-N 317.172 1.719 0 40 DDAB CN(C)c1ncc2c(n1)[C@]1(CCN(c3ccncn3)C1)COC2 96244015 XLHSFKRUZLLZHS-INIZCTEOSA-N 312.377 1.011 0 40 DDAB Cc1noc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)n1 331513003 PXMYSBMYCZYMKZ-NSHDSACASA-N 322.287 1.367 0 40 DDAB CCN1CC[C@]2(CN(C(=O)c3ccncc3F)C[C@H]2C)C1=O 96201642 OIBQNOBJIQXXQE-BDJLRTHQSA-N 305.353 1.551 0 40 DDAB Cc1nc(CN2C[C@H]3OC[C@@H](C(=O)NCC4CC4)[C@H]3C2)cs1 96219549 VYFAUNTVMRBFSR-RBSFLKMASA-N 321.446 1.425 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 247952982 MUCBEJDAWWLTCA-CQSZACIVSA-N 302.378 1.403 0 40 DDAB O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)C[C@H]1CCCCO1 528543325 XGKLIZWXCMNRHP-OCCSQVGLSA-N 324.402 1.038 0 40 DDAB CNC(=O)c1sc2nc([C@H]3CCCN3C(C)=O)ccc2c1N 257238993 HNMBDQVBUHXSEL-LLVKDONJSA-N 318.402 1.922 0 40 DDAB Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c1 257340739 ZHISJBUHDODOFN-LALPHHSUSA-N 313.781 1.418 0 40 DDAB O=C1CO[C@@H]2CN(Cc3cc[nH]n3)C[C@H]2N1Cc1ccccc1 257222825 DUUZEIQSWGAROT-HZPDHXFCSA-N 312.373 1.022 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)ccn1 257263493 LQDXFNJNQLNDTP-ZDUSSCGKSA-N 313.361 1.208 0 40 DDAB COc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccn[nH]2)cc1 257257303 KOYWXARDGXBWJY-AWEZNQCLSA-N 323.374 1.181 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)c1 257308429 TWRDHSRIGCNURU-INIZCTEOSA-N 318.421 1.427 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)CCc2ccccc2)CCN1C(C)C 257282741 OVCJWZHWBSKFDC-MRXNPFEDSA-N 317.433 1.286 0 40 DDAB CCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](OC)c1ccccc1 252484474 FXKLQVKSJQORAM-GVDBMIGSSA-N 318.417 1.696 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2ccoc2C)O1 252503899 VHANRGXNMZOLCN-VKKKGTNTSA-N 307.346 1.912 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257270768 MVOZPEMYLPVZNE-ZDUSSCGKSA-N 312.373 1.504 0 40 DDAB COc1ccc([C@H]2CNCCN2CC2(O)CCOCC2)cc1 257247983 JBMLLKPBGACLLH-MRXNPFEDSA-N 306.406 1.183 0 40 DDAB Cc1cc([C@H]2CCCCN2C(=O)Cn2ccnc2)nc2ccnn12 257243664 IHZHDFKTZNFMSI-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB CC(=O)N1CCN(C(=O)c2cncnc2C)C[C@H]1c1ccccc1 257332259 XWLZWMHQXHXKDD-KRWDZBQOSA-N 324.384 1.831 0 40 DDAB Cc1cocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(F)cn1 1062554762 CFOMIAFWZBIPRT-RYUDHWBXSA-N 302.309 1.620 0 40 DDAB O=C(NC[C@@H]1CCCO1)NC[C@@H](c1ccco1)N1CCCC1 44892413 CKTPPBJAZBLEAP-KBPBESRZSA-N 307.394 1.895 0 40 DDAB O=C(CN1CC[C@@H](c2cccc(F)c2)C1)NC[C@@H]1CCCO1 69667457 UQOXYHJEHONQMN-ZBFHGGJFSA-N 306.381 1.910 0 40 DDAB C[C@H]1COC[C@@H]1NC(=O)N1CCC(CN)(c2ccccc2)CC1 1553524923 CSLJGSFWNUYNBJ-HOCLYGCPSA-N 317.433 1.723 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1F 98010436 OAHSFTAMGADYEN-CQSZACIVSA-N 316.336 1.403 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@H]12 518543 TYOLRTYWMXRCLK-MQJWWWOESA-N 314.389 1.709 0 40 DDAB Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@@H]4C[C@@H](C2)N34)c2cccc(O)c21 1570003132 AHKLTPXHGXRIIG-CDECOKDKSA-N 312.373 1.386 0 40 DDAB CCc1noc(C)c1C(=O)OCN1C(=O)c2ccccc2C1=O 5391379 DBFYFPGIJRQFJF-UHFFFAOYSA-N 314.297 1.956 0 40 DDAB Cc1ncccc1C(=O)N[C@H]1CCC(=O)N[C@H]1c1cccnc1 12147992 CKAZXFPQAGZFJW-HOCLYGCPSA-N 310.357 1.535 0 40 DDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)C(C)C)C[C@H]1CC2 19086114 XUDOMLGSHVRKNI-HIFRSBDPSA-N 318.421 1.163 0 40 DDAB CCCc1nnsc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 19746134 URFUINRNNROQSV-UHFFFAOYSA-N 322.394 1.028 0 40 DDAB Cn1ccnc(N2CCC[C@H](COc3ccncc3)C2)c1=O 1888842923 GQCBIRKNKCZODU-ZDUSSCGKSA-N 300.362 1.471 0 40 DDAB COc1ccc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)cc1 1888906559 PYGQVUMPEKMUEN-KRWDZBQOSA-N 318.417 1.909 0 40 DDAB O=C1CCc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2N1 18189778 QNRJBHDJTGJSMQ-OJXGSEEGSA-N 308.337 1.883 0 40 DDAB O=S(=O)(NC1CCN(C[C@@H]2CCCCO2)CC1)C1CC1 1850157670 ZCAKOJJUNUVUJS-ZDUSSCGKSA-N 302.440 1.102 0 40 DDAB CC(C)CN1CCC2(C1)CN(C(=O)Cn1ccccc1=O)C2 1073418164 QBWXVEMUYDDGFY-UHFFFAOYSA-N 303.406 1.039 0 40 DDAB C[C@]1(C(=O)N2CC3(CCN(S(C)(=O)=O)C3)C2)CC=CCC1 1614932376 BRDRVRCBJMHZAP-AWEZNQCLSA-N 312.435 1.227 0 40 DDAB Cc1n[nH]c(SCC(=O)N2CCc3ccccc32)nc1=O 5045260 VNTJFJJRHMXJIO-UHFFFAOYSA-N 302.359 1.155 0 40 DDAB CNC(=O)Cn1c(CO)cnc1SCc1ccc(C)cc1 9827370 FBTDXXCWVVWOMD-UHFFFAOYSA-N 305.403 1.722 0 40 DDAB C[C@](O)(CNC(=O)NC1CCOCC1)c1ccc2c(c1)OCO2 225552973 GPCNHPNRCLYEMU-INIZCTEOSA-N 322.361 1.101 0 40 DDAB COC[C@@](C)(CNC(=O)C1(c2ccccc2OC)CC1)OC 618255458 QAKYOCWRRZZOPV-MRXNPFEDSA-N 307.390 1.895 0 40 DDAB COc1cc(N2CCC(C(=O)N3CCSCC3)CC2)ncn1 2298187950 SXRZKDFVCIFOOH-UHFFFAOYSA-N 322.434 1.277 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@@H]1C[C@H](O)[C@H](CO)C1 107286700 LAAVOIIZVVFMLN-ZOBUZTSGSA-N 315.369 1.467 0 40 DDAB COc1cccc([C@H](C)NC(=O)c2c(C(=O)O)cnn2C)c1 20318462 GHAVBOCRDUYDQL-VIFPVBQESA-N 303.318 1.618 0 40 DDAB CCOC(=O)[C@@](NC(C)=O)(Nc1cccc(C)n1)C(F)(F)F 20458885 QKHMFFUWUCQAOY-GFCCVEGCSA-N 319.283 1.760 0 40 DDAB Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c2cnn(C)c2n1 20606104 QWPNIOHGUYXEFY-UHFFFAOYSA-N 316.361 1.256 0 40 DDAB CN(C)C1(CNc2c(NCc3ccco3)c(=O)c2=O)CCCC1 101690258 SBWOUGBQQCTXBE-UHFFFAOYSA-N 317.389 1.774 0 40 DDAB O=C(NCc1ccccc1F)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 32672759 SHTSEBILSADENS-KOLCDFICSA-N 318.270 1.899 0 40 DDAB Cc1noc(N)c1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 32778470 QRDLZZVXJNYHLB-MRVPVSSYSA-N 314.301 1.720 0 40 DDAB C[C@H](CNC(=O)c1ccc(=O)[nH]c1)N1CCc2sccc2C1 32817172 JCWCMZDCIHBHFD-LLVKDONJSA-N 317.414 1.613 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 157849 TVXFXJPWGUZMBQ-LLVKDONJSA-N 324.358 1.410 0 40 DDAB Nc1ccccc1-c1nnn(CC(=O)Nc2ccccc2F)n1 414513 ALOMXHYSXNNBHD-UHFFFAOYSA-N 312.308 1.700 0 40 DDAB CCS(=O)(=O)CCN1CCN([C@H](C)c2cccnc2)CC1 76040244 CFQBGCQHZPEWFE-CQSZACIVSA-N 311.451 1.195 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)Oc2cccnc2)no1 76043837 WSSWAHPAFWYSFK-ZWNOBZJWSA-N 302.334 1.904 0 40 DDAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)NC[C@@H]1CCCO1 76051467 IVXGJYVFUJRQQV-STQMWFEESA-N 320.393 1.379 0 40 DDAB Cc1sc(=O)n(CCC(=O)NCCNc2ccccn2)c1C 77612750 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DDAB CC(C)[C@H](N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 79404630 FXGINOAOKXSQDN-IRXDYDNUSA-N 303.450 1.998 0 40 DDAB CCOC(=O)N1CCN(C(=O)Cc2ccc(OC)c(C)c2)CC1 74959655 FUYKQNVWXHGNOG-UHFFFAOYSA-N 320.389 1.847 0 40 DDAB O=C(N[C@H](CO)c1cccnc1)c1cc(-c2ccccc2)[nH]n1 1570463180 ILPXAINGLYYJJA-MRXNPFEDSA-N 308.341 1.935 0 40 DDAB CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(C(C)C)n(C)n2)n1 81384944 CATZCXAURSQTSZ-JTQLQIEISA-N 321.381 1.906 0 40 DDAB CN1CCO[C@@H](C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)C1 195560228 CPHSIFSJSJHWNX-HUUCEWRRSA-N 308.353 1.136 0 40 DDAB CN(C)C[C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)CCO1 574903836 GCGPETCMVLCIDT-CYBMUJFWSA-N 306.410 1.090 0 40 DDAB COCCCNC(=O)c1cc(NC(=O)c2ccccc2)n(C)n1 40761713 LRRVVELCZONVFP-UHFFFAOYSA-N 316.361 1.439 0 40 DDAB O=C(O)CCc1ccc(S(=O)(=O)NCc2ccccn2)cc1 223255987 QTVSVELKEJIKDJ-UHFFFAOYSA-N 320.370 1.577 0 40 DDAB CCO[C@@H]1C[C@](CO)(N[C@@H]2CCCN(C(C)C)C2=O)C1(C)C 192805290 IZQOREAROXJLFX-CKEIUWERSA-N 312.454 1.542 0 40 DDAB Cn1cc([C@](C)(O)CNC(=O)c2cc(F)c(F)c(F)c2)cn1 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O=C(CN1C(=O)N/C(=C/c2cccs2)C1=O)N1CCCCC1 98004180 FEOFPYNBVLVDFX-FMIVXFBMSA-N 319.386 1.653 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)C1CCN(CC(C)C)CC1)C2 97199256 VWFZIEFSKMUZSQ-MRXNPFEDSA-N 318.465 1.991 0 40 DDAB CC(C)(C)c1cc(N2C(=O)c3ccccc3C2=O)n(CCO)n1 96184202 FVXOGRZMACHIDK-UHFFFAOYSA-N 313.357 1.974 0 40 DDAB CC1(C)Cc2cc(CN3CC[C@@H](NS(C)(=O)=O)C3)ccc2O1 93531024 VPEALODPIDXJGV-CQSZACIVSA-N 324.446 1.524 0 40 DDAB c1cnc(N2CC[C@@]3(COCCN(Cc4ccoc4)C3)C2)nc1 96062498 NLERZACRCTXHQR-KRWDZBQOSA-N 314.389 1.799 0 40 DDAB CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(CC(=O)O)C[C@@H]21 96083226 QUTPJYMUJHMUOF-YDHLFZDLSA-N 303.362 1.113 0 40 DDAB CCOCCN1C[C@H]2OCC[C@H]2[C@@H](C(=O)Nc2cccnc2)C1 96065597 WKRQZADHMQJCPI-HRCADAONSA-N 319.405 1.394 0 40 DDAB CNC(=O)c1ccccc1OC[C@@H](O)CN1CCC(C)CC1 95439079 MLKXSOIZIJMZDZ-AWEZNQCLSA-N 306.406 1.518 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)N1CCCC1)CC2 96217771 CNGSGVSCARLYAM-KRWDZBQOSA-N 323.437 1.696 0 40 DDAB COc1ccc(CN2C(=O)CCC23CCN(CCO)CC3)cc1 96228327 BULISLDDTNZXEE-UHFFFAOYSA-N 318.417 1.645 0 40 DDAB O=C(c1cocn1)N1CC2(C1)OCC[C@H]2COc1cccnc1 247873242 RVNJUXKSNVYEIX-LBPRGKRZSA-N 315.329 1.380 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(Cc1cccnc1)CC2 248025670 WAAKPYKOPHAHHG-ZDUSSCGKSA-N 313.405 1.993 0 40 DDAB Cc1ccn(CCC(=O)N[C@@H]2CCCN(c3ccccn3)C2)n1 257319830 VUFLEMNXXSOFCA-OAHLLOKOSA-N 313.405 1.762 0 40 DDAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cncn2C)ccn1 257217962 DBILJVKYIFZFBJ-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)Cc2ccc3ccccc3c2)CCO1 257276910 NVQOEPQQLQHMPC-SFHVURJKSA-N 312.369 1.485 0 40 DDAB O=C1OC2(CCOCC2)CN1c1cnc([C@@H]2CCCNC2)cn1 257292612 QMHDNLUMPRDUIF-GFCCVEGCSA-N 318.377 1.449 0 40 DDAB Cc1ncc2cc(C3CCN(S(C)(=O)=O)CC3)nc(C)n12 257277491 NYDYUJKEJHLBGU-UHFFFAOYSA-N 308.407 1.485 0 40 DDAB CS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)O)nc1 257284428 PCRKKODHISCBBF-UHFFFAOYSA-N 306.343 1.496 0 40 DDAB O=C(COc1ccc(F)cc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257299361 RPSSBOWYKLYLQX-HOCLYGCPSA-N 309.337 1.347 0 40 DDAB COCC(=O)N1CCC[C@@H](c2ccc3sc(N)nc3n2)C1 257263947 LSEFABUHAAGEHW-SECBINFHSA-N 306.391 1.626 0 40 DDAB COc1ccc(CC(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)cc1 257263659 LQXYELCCUWBEBL-HNNXBMFYSA-N 315.373 1.869 0 40 DDAB Cc1nc2ccccc2n1CCN[C@H](C)C[C@@H]1COCCN1 262358372 WDLRLWBNKRFMEH-UKRRQHHQSA-N 302.422 1.701 0 40 DDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cc3cccnc3)C2)n1 390828088 OMTWPKVSWDSYES-OAHLLOKOSA-N 312.373 1.711 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1C 96105129 FFDBUKDJOHQYLC-LBPRGKRZSA-N 303.318 1.425 0 40 DDAB Cc1nnsc1C(=O)NCc1nccnc1-c1ccco1 390830459 LFYZXLUJEVPDQP-UHFFFAOYSA-N 301.331 1.827 0 40 DDAB CC(C)CC(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575404034 LKVVNPMONGFQFF-CYBMUJFWSA-N 305.378 1.662 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 62132437 IVTQEZKBRZUZLI-SSDOTTSWSA-N 307.730 1.574 0 40 DDAB Cc1cn2cc(NC(=O)C3CC4(C3)C[C@H](N)CCO4)ccc2n1 1548552481 BXPPNHCCRCNTAE-UIORMTCPSA-N 314.389 1.868 0 40 DDAB C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 76018281 HSMMMOOJXYKRQW-ZCFIWIBFSA-N 324.686 1.794 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85436660 CKJILZWQQWEIOO-MRXNPFEDSA-N 306.381 1.283 0 40 DDAB CC1(C)CCC[C@H]1NCCS(=O)(=O)N1CCSCC1 96477310 JYHLGUVQDKPYSO-GFCCVEGCSA-N 306.497 1.533 0 40 DDAB Cn1cnc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)c1 1615142275 BTWBXBIPDQJIAP-KRWDZBQOSA-N 319.380 1.365 0 40 DDAB O=C(c1ccccn1)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549162964 XGPPWFMCQALQKH-UHFFFAOYSA-N 323.352 1.640 0 40 DDAB CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N 5413138 XFEJHFHUAWOUFH-UHFFFAOYSA-N 305.407 1.902 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccc3nccnc13)C2 12143182 BTFTXDKQTROXBV-UHFFFAOYSA-N 321.340 1.220 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@H]1Cn1nnc2ccccc2c1=O 12144957 DTCDICRRVMPAPT-LBPRGKRZSA-N 314.389 1.829 0 40 DDAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C(C)(C)C 12145369 CQJFGMWIDGKGLX-NSHDSACASA-N 302.378 1.732 0 40 DDAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1ccco1)CS2 14032063 UYBSOMPXPJFUNK-SNVBAGLBSA-N 305.359 1.498 0 40 DDAB CCN(CC)CCNCc1cc2cc(OC)ccc2[nH]c1=O 19823965 PLSPCBHQZJETEK-UHFFFAOYSA-N 303.406 1.968 0 40 DDAB CCc1cc2c(NCCC(=O)NCCOC)ncnc2s1 31868925 XZKSQRXQRLBOAJ-UHFFFAOYSA-N 308.407 1.818 0 40 DDAB CN1C[C@@]2(CCN(Cc3cccc(F)c3F)C2)COCC1=O 2037984407 ZWVNKAQUDHJBTN-MRXNPFEDSA-N 310.344 1.646 0 40 DDAB CC1(C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056223685 AKVRFWQEULVKEZ-PMPSAXMXSA-N 315.417 1.539 0 40 DDAB CCN1C[C@@H]2CN(C(=O)c3ccc(OC)cc3OC)C[C@@H]2C1=O 2055773067 RCJZDXARBUMTQW-RISCZKNCSA-N 318.373 1.254 0 40 DDAB O=C(N[C@H]1CCn2nccc2C1)c1cccc(-n2cccn2)c1 575608229 JJKRLXKJNZZTDT-AWEZNQCLSA-N 307.357 1.814 0 40 DDAB Cn1cccc(C(=O)NCCn2cc(-c3ccncc3)cn2)c1=O 575612862 NMFAGBPFVGVKEO-UHFFFAOYSA-N 323.356 1.074 0 40 DDAB O=C(CCc1ccccc1F)N1CC(CN2C(=O)COC2=O)C1 575617246 VAGGXSPYBRQGDS-UHFFFAOYSA-N 320.320 1.196 0 40 DDAB Cc1ncsc1/C=C\C1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1 35995407 SDEIKNWRVHSKQN-FSZPXCJPSA-N 323.399 1.046 0 40 DDAB in-vitro CSCC[C@H](N)C(=O)N(C)[C@H](C)Cc1ccc2c(c1)OCO2 5532553 UZXAEJBJYBGKGR-YPMHNXCESA-N 324.446 1.885 0 40 DDAB biogenic CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C 24686177 DUDDQXHLNWPVTD-LBPRGKRZSA-N 314.382 1.423 0 40 DDAB COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 30697191 DEPQNGIXXNINEE-JTQLQIEISA-N 322.386 1.051 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1cccc(N2CCCC2=O)c1 31395573 IRTVFRTWYQKHSV-CYBMUJFWSA-N 312.373 1.828 0 40 DDAB NC(=O)N[C@@H](CC(=O)NCc1ccccn1)c1ccccc1F 40498480 PBBXYNFZGBAQEM-AWEZNQCLSA-N 316.336 1.637 0 40 DDAB COC(=O)C1CCN(C(=O)CSc2nncs2)CC1 40456990 WQZWNZJGBIQNPO-UHFFFAOYSA-N 301.393 1.042 0 40 DDAB CC(=O)Nc1nc(C(=O)NCCCN2CCC[C@H](C)C2)cs1 40534697 YKRXSQDYEOBGQI-NSHDSACASA-N 324.450 1.953 0 40 DDAB C[C@H](NC(=O)COc1cccc(S(C)(=O)=O)c1)c1ccco1 40538784 YILKYTGYZHNUDZ-NSHDSACASA-N 323.370 1.939 0 40 DDAB C[C@@H]1CN(C(=O)NCc2cccc(N3CC=CC3)c2)CCO1 101392315 DDCILOZCPHYGKA-CQSZACIVSA-N 301.390 1.993 0 40 DDAB O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1C[C@@H](O)C(F)(F)F 102231040 LFPVOMNHLXXRCB-MWLCHTKSSA-N 319.254 1.667 0 40 DDAB C[C@]1(C(=O)NCCc2nnc3ccccn23)CC1(Cl)Cl 32848620 JBBWTHZNMXRREQ-GFCCVEGCSA-N 313.188 1.972 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC3=NCCS3)CC2=O)cc1 479457 SNPJGDLTQZUGCJ-JTQLQIEISA-N 319.386 1.267 0 40 DDAB CC(C)c1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1 558153 UUMOCPGGQPRFHG-UHFFFAOYSA-N 304.379 1.460 0 40 DDAB CCOC(=O)c1cnn(CCSc2nccn2CC)c1N 69664226 OFHWXWZVMURPPY-UHFFFAOYSA-N 309.395 1.651 0 40 DDAB O=C(OC[C@H]1CC=CCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 60656760 YBPRINSNWWHEDW-LBPRGKRZSA-N 322.386 1.384 0 40 DDAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)NC1=S 1462772 QYRCDBFXFVDNSJ-SNVBAGLBSA-N 311.794 1.774 0 40 DDAB C[C@H](NC(=O)CCc1ccco1)c1cccc(S(N)(=O)=O)c1 79003142 PCSNFYJBPDUXOD-NSHDSACASA-N 322.386 1.737 0 40 DDAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)cc1 543160 ZIENDGJNIMWAMN-UHFFFAOYSA-N 313.357 1.006 0 40 DDAB COC(=O)c1cc(Br)c(=O)n(-c2nccs2)c1 521808 UFCDIXRCVJLNQM-UHFFFAOYSA-N 315.148 1.843 0 40 DDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 3956159 CAFIDQHVUUYSMM-QGZVFWFLSA-N 324.388 1.399 0 40 DDAB COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)O)cc1OC 33452422 VCOWJVNPJXEXET-GFCCVEGCSA-N 307.346 1.712 0 40 DDAB COc1ccccc1CN1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 103458236 NGGAMGQHTFYBQD-CMPLNLGQSA-N 312.416 1.344 0 40 DDAB CN(C)c1ccc(NC(=O)CNC(=O)c2cccs2)cn1 22420014 ZEOKFDPYYZCFSE-UHFFFAOYSA-N 304.375 1.578 0 40 DDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 6725567 POMRVPDSVPLFIJ-PKIAMQTDSA-N 317.341 1.778 0 40 DDAB O=C1CCc2cc(S(=O)(=O)NCc3ccccn3)ccc2N1 7364588 NSTGEOKCCXDGJB-UHFFFAOYSA-N 317.370 1.445 0 40 DDAB C=Cn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 10119579 FRMQUEIFNVGLOU-UHFFFAOYSA-N 305.294 1.052 0 40 DDAB O=C(NCCNc1ncccn1)N1CCN(C2CCCC2)CC1 47057505 RASONGOGAACFOA-UHFFFAOYSA-N 318.425 1.158 0 40 DDAB CC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1 97139966 UCECNVQXRWXHHC-UHFFFAOYSA-N 305.378 1.284 0 40 DDAB Cc1cc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)on1 24245514 JYIKEZGNHWTICF-UHFFFAOYSA-N 302.334 1.735 0 40 DDAB CCCn1cc(CN2CCCN(C(=O)c3cn[nH]c3)CC2)cn1 105834034 DTUXDPQEAVJHCJ-UHFFFAOYSA-N 316.409 1.364 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@H]1C 27976169 HOIREBNDCDQIEZ-OLZOCXBDSA-N 315.377 1.831 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1 106050669 GKFSNRXSDCDRFS-UTUOFQBUSA-N 307.394 1.445 0 40 DDAB O=C(CCn1cncn1)NCc1ccsc1-n1cccc1 56113671 HFAWQABEEGRPAF-UHFFFAOYSA-N 301.375 1.837 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@@H](O)CN1 37798088 IBBSDRKHRFMDEZ-PWSUYJOCSA-N 313.195 1.130 0 40 DDAB COc1cc(C(=O)N[C@H]2CCCNC2=O)ccc1OC(F)F 58180700 ZYPYIQAGMSYBGD-VIFPVBQESA-N 314.288 1.305 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2Cc2cccs2)N1c1cncnc1 107251843 DWLWZAIODHQHLR-UONOGXRCSA-N 300.387 1.918 0 40 DDAB C[C@H]1CN(C(=O)CCNC(=O)Nc2cccnc2)C[C@H](C)O1 44972822 SNLDBEXTZWQUCE-RYUDHWBXSA-N 306.366 1.229 0 40 DDAB COCCCNC(=O)CN(C)C(=O)c1cc2ccccc2n1C 58342104 IDHIMWGNBABGQQ-UHFFFAOYSA-N 317.389 1.403 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C 58357965 QFFFEWDFMHPXQC-JTQLQIEISA-N 315.414 1.321 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 58307861 XRJRWXPWCOXLIQ-MCIONIFRSA-N 321.487 1.050 0 40 DDAB COCCS(=O)(=O)N(C)Cc1ccccc1N1CCCC1 48374009 BQVIWJMRGFKKLI-UHFFFAOYSA-N 312.435 1.695 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 69919370 SVSRYSCLZIPEKP-OAHLLOKOSA-N 301.394 1.928 0 40 DDAB CCc1ccc(C(=O)N2CCCN(Cc3nccn3C)CC2)o1 69921099 OARFQBBKLHTEEC-UHFFFAOYSA-N 316.405 1.924 0 40 DDAB O=C(CN1CCO[C@H]2CCCC[C@@H]21)NC(=O)Nc1ccccc1 70693661 YEBDZJAJFIHUNB-GJZGRUSLSA-N 317.389 1.978 0 40 DDAB O=C([C@H]1CN(C(=O)C2CC2)c2ccccc2O1)N1CCOCC1 70721936 UMCZPJNUICKQRT-OAHLLOKOSA-N 316.357 1.049 0 40 DDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)NCC1CCCCC1 6533327 UDELUWGQATUSPG-SECBINFHSA-N 309.439 1.818 0 40 DDAB COCCCNC(=O)CSc1nc2ccccc2c(=O)[nH]1 6908251 PSRGQXOTPQHYDQ-UHFFFAOYSA-N 307.375 1.168 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 15398709 KFXSQJHQBJFJIE-OAHLLOKOSA-N 307.325 1.117 0 40 DDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC1=NCCS1 9449690 AZOSPCKAQKPNIQ-JTQLQIEISA-N 307.400 1.709 0 40 DDAB COCCN1CCC[C@@H](NC(=O)c2ccc3nccn3c2)C1 68431048 WTUDYKVQPBLYEM-CQSZACIVSA-N 302.378 1.175 0 40 DDAB COCCCNC(=O)CNC(=O)Cc1cccc2ccccc12 8313275 PJAZTPNHCFIYSR-UHFFFAOYSA-N 314.385 1.651 0 40 DDAB Cc1nc(CN(C)C(=O)c2nccnc2N)nc2ccccc12 69489192 RHZCJAPWFALTKT-UHFFFAOYSA-N 308.345 1.583 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1cscn1 97237893 UBLHMXGEMOHALL-AWEZNQCLSA-N 317.414 1.640 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(C2CC2)CC1 71836705 ASSSYQULJHJTEM-UHFFFAOYSA-N 310.401 1.721 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)N1CCC2(CC1)OCCO2 83855619 CCVGOOFHEDHIFB-UHFFFAOYSA-N 318.439 1.335 0 40 DDAB O=C(COC1CCCC1)N1CCCN(c2ncccn2)CC1 71900155 RJDZPHKASSUDCS-UHFFFAOYSA-N 304.394 1.475 0 40 DDAB CCc1cccc(NC(=O)COC(=O)c2nccnc2N)c1 9607639 MGQZHYZJBZROIM-UHFFFAOYSA-N 300.318 1.417 0 40 DDAB O=C(Nc1ccccc1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 97000302 WQOBMYXIHGLECA-OAHLLOKOSA-N 323.352 1.325 0 40 DDAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@@H](c2nnn[nH]2)C1 97021008 TTYDYHPFZDMHSP-ZPRMVTFISA-N 315.421 1.978 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1nc(C3CC3)no1)C2 72292187 MUKKQZHVIJGSSN-LBPRGKRZSA-N 315.377 1.516 0 40 DDAB CC(=O)Nc1cc(NC(=O)N2CCCN(C)CC2)ccc1F 95460846 OPBMUSJZEYBKTJ-UHFFFAOYSA-N 308.357 1.954 0 40 DDAB COCCn1cnc2c(F)cc(Br)cc2c1=O 88503972 XNPPEOBMPJWRSF-UHFFFAOYSA-N 301.115 1.945 0 40 DDAB CN1CCO[C@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 89385604 SRBSQZXIJZXDAU-KRWDZBQOSA-N 315.417 1.580 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2Cc2nnnn2C2CC2)n1 75131862 HKNUWDKBPNTDLA-OAHLLOKOSA-N 315.425 1.876 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1cccc(F)c1 89774960 HWUJTGUSUBLNKB-JYJNAYRXSA-N 307.365 1.833 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2ccco2)C12CCC2 89985667 UPWSMUYLYCSDGL-ZIAGYGMSSA-N 320.389 1.863 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@H]1CCCC[C@@H]1O 548645170 ROZITKCFRCCGBK-CQDKDKBSSA-N 305.374 1.981 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CO)C(=O)O 218415429 UGZSXEULGFAUDD-DMDPSCGWSA-N 318.778 1.304 0 40 DDAB CS(=O)(=O)N(CCSc1ncc[nH]1)Cc1ccccc1 188033264 JOPZOELXDLNAAS-UHFFFAOYSA-N 311.432 1.964 0 40 DDAB O=C(Nc1ccccc1N1CCCC1)c1nc2ncccn2n1 36618799 LYHUSDMWNMKYAO-UHFFFAOYSA-N 308.345 1.977 0 40 DDAB Cc1cc(CCC(=O)N2CCCC2)nc([C@H]2CCCNC2)n1 72366415 LNZHCAHXJOPGAE-AWEZNQCLSA-N 302.422 1.807 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2cccn2C)c(C)c1 75155111 MJZQWTLEQOPSPV-CQSZACIVSA-N 324.402 1.354 0 40 DDAB Cc1nn(C)c2c(N3CCN(c4ccccn4)CC3)ncnc12 32501914 KDRUQPZPQXNSBK-UHFFFAOYSA-N 309.377 1.393 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)on2)C1 79355713 UBFSFSKLHCJREZ-JTQLQIEISA-N 308.382 1.962 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccs1 72239724 WJFDVTYOQCWSCZ-ZDUSSCGKSA-N 309.435 1.307 0 40 DDAB O=C(CN(CCc1cccc(F)c1)C1CC1)N1CCNC1=O 72978072 ICGAGWHHQIPBOO-UHFFFAOYSA-N 305.353 1.384 0 40 DDAB O=C(NCCCCc1ccccn1)[C@H]1CC2(CCNCC2)CN1 72164012 PHALXUSZUAJGAC-MRXNPFEDSA-N 316.449 1.252 0 40 DDAB OCCN1CCO[C@H](COc2cccc(Br)c2)C1 217497601 DEYNZDMHWMKMCE-ZDUSSCGKSA-N 316.195 1.521 0 40 DDAB CSCC[C@](C)(O)CNC(=O)c1ccc2nsnc2c1 75157470 OOTOKQSUKCYFIG-ZDUSSCGKSA-N 311.432 1.925 0 40 DDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(F)cc1F 79052226 AIWUTNSIXVDITP-UHFFFAOYSA-N 305.346 1.908 0 40 DDAB NC(=O)c1cnc(NC[C@H](O)COc2ccccc2)c(Cl)c1 44978714 XJZRUURLKBEYIH-NSHDSACASA-N 321.764 1.686 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)c(F)c1 45896191 GXAJCKKHVRSAQH-LLVKDONJSA-N 307.260 1.413 0 40 DDAB COC[C@@H](C)NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225737143 FXKDZBKIPLBWSW-SNVBAGLBSA-N 308.765 1.806 0 40 DDAB COC(=O)[C@@H](CNC(=O)Cc1cnn(C)c1)c1ccc(F)cc1 192755351 HUKQBISEDWCJNA-AWEZNQCLSA-N 319.336 1.175 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)Nc3cccnc3)cc21 227161679 PLPKIEFTGZQQBQ-UHFFFAOYSA-N 319.342 1.238 0 40 DDAB Brc1cc(-n2cnnc2)ccc1N1CCOCC1 45958089 KVORFVRPIAXUPQ-UHFFFAOYSA-N 309.167 1.866 0 40 DDAB CC(C)c1[nH]c(=O)c(C(=O)O)cc1I 96517588 XTAXVHLQCQPETL-UHFFFAOYSA-N 307.087 1.801 0 40 DDAB CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 96110905 IEQVLKGVZWGWKM-JKSUJKDBSA-N 324.446 1.359 0 40 DDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccco3)C2)n1 96038919 HFRNWIBBYMTLDB-NQBHXWOUSA-N 303.318 1.758 0 40 DDAB Cc1ccc(CN2CCn3c(CN4CCOCC4)nnc3C2)o1 96058944 RLZUJMYRARJJGD-UHFFFAOYSA-N 317.393 1.028 0 40 DDAB CN1Cc2ccccc2[C@H](NC(=O)CN2CCCCCC2=O)C1 535280195 HVLHNWYWPXVIHU-MRXNPFEDSA-N 315.417 1.692 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 96406893 MXALHMVJRNTMAO-LBPRGKRZSA-N 309.385 1.818 0 40 DDAB COCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@@H]2C 96109570 LSVGIBWLWXIAFX-LLVKDONJSA-N 322.390 1.190 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccccc1 96244742 DVBJPZZJUNDZQP-MRXNPFEDSA-N 315.417 1.370 0 40 DDAB CCOCC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn21 253600983 FZOQSSYDRSAKSR-CQSZACIVSA-N 315.377 1.605 0 40 DDAB Cc1cccc(-n2nc(C(=O)O)c(N3CCOCC3)n2)c1C 256046624 HDLMAPMKNBYLTG-UHFFFAOYSA-N 302.334 1.419 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 257275839 NREFGJUBQFXCDL-GFCCVEGCSA-N 323.422 1.328 0 40 DDAB CNC(=O)CCc1cc(C)nc(C2CCN(CC(=O)O)CC2)c1 257232661 GLWFPFHUHRJIJK-UHFFFAOYSA-N 319.405 1.333 0 40 DDAB CCCc1cc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)no1 257298518 RMBGZGDPTXCGEE-GJZGRUSLSA-N 318.377 1.662 0 40 DDAB CC(C)(C)c1nnc2ccc(NC[C@H](CO)[C@@H]3CCOC3)nn12 280858765 DKVHKIKAEOEEHD-VXGBXAGGSA-N 319.409 1.479 0 40 DDAB CCOC(=O)CCC(=O)N1CCC(Oc2ccccn2)CC1 96024666 XFNSSZSNPFJOOO-UHFFFAOYSA-N 306.362 1.795 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)C3CC3)CO2)C1 575406934 YJMPWKCXRAWSHH-YRGRVCCFSA-N 306.406 1.176 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1Cc1ccc(OC)c(F)c1 585279088 SQKZNABURUDVNI-QGZVFWFLSA-N 324.396 1.951 0 40 DDAB CCN1CC[C@]2(CN(Cc3cc(C)[nH]n3)CC(F)(F)C2)C1=O 585093401 UVPQHOYGHZBFGA-AWEZNQCLSA-N 312.364 1.798 0 40 DDAB CCOC(=O)N1CCC(O)(CN(C)[C@H]2CCCC[C@@H]2O)CC1 585286791 QUSXKFRQFFDWQI-KBPBESRZSA-N 314.426 1.205 0 40 DDAB C[C@@H](C(=O)O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 51639192 LQHZJNTUCXELAT-NSHDSACASA-N 310.781 1.500 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)Nc1ccn(C)n1 56262161 FVOHKEFLHANVDG-UHFFFAOYSA-N 324.344 1.055 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 65398736 VONRGPZTDWIEBN-HUUCEWRRSA-N 317.389 1.300 0 40 DDAB O=C(NCCN1CCOCC1)c1cnc(-c2ccccc2)nc1 65403054 DXDQRXQAXJLNMH-UHFFFAOYSA-N 312.373 1.206 0 40 DDAB CN(Cc1nccn1C)C(=O)CNC(=O)c1cc(F)cc(F)c1 72285285 DIEYICKXYUHQIZ-UHFFFAOYSA-N 322.315 1.087 0 40 DDAB CCN1CCO[C@@H](C(=O)NC(C)(C)Cc2ccccc2OC)C1 73424131 GFQUMAQCOYMKCY-MRXNPFEDSA-N 320.433 1.853 0 40 DDAB O[C@H]1[C@H](NCC2CCCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1ccnc1 952844770 IBHCEEWFAYBZAY-DGXTUMSLSA-N 307.394 1.079 0 40 DDAB biogenic,in-vitro Cc1ccsc1[C@@H](C)NCCS(=O)(=O)N1CCOCC1 89541037 KDRJICGWCADXME-GFCCVEGCSA-N 318.464 1.369 0 40 DDAB C[C@@H]1CCC[C@H](NCCS(=O)(=O)N2CCOCC2)[C@@H]1C 96004771 NYBXAGWODSEKAK-MCIONIFRSA-N 304.456 1.063 0 40 DDAB COC(=O)c1cn(CCC(C)C)c(=O)c2cnc3ncnn3c12 1548338203 FKMCNJMOWWONJK-UHFFFAOYSA-N 315.333 1.272 0 40 DDAB O=C(O)Cc1cnc(-c2ccc(Br)cc2)[nH]c1=O 217265511 YTQJTJSQIQLUAH-UHFFFAOYSA-N 309.119 1.827 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCn1ncccc1=O 11856301 RSVMNUZQMSGOGK-UHFFFAOYSA-N 307.737 1.335 0 40 DDAB CCn1c(=O)n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2cccnc21 12222283 ZWLMXMYANOOUCA-BETUJISGSA-N 316.405 1.722 0 40 DDAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](n2ccnn2)C1 206929779 XFSWXFHSVPUTTN-CYBMUJFWSA-N 308.345 1.755 0 40 DDAB CC(C)Oc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 4504455 RBVBQGRGABCBCY-ZDUSSCGKSA-N 311.403 1.733 0 40 DDAB COc1ccc(N2C[C@@H](NC(=O)NC(C)C)CC2=O)cc1OC 5201997 GGZWFMXGHSQPGE-NSHDSACASA-N 321.377 1.517 0 40 DDAB c1cc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)ccn1 1849477670 NPECJTSRNKYLKC-AWEZNQCLSA-N 313.405 1.910 0 40 DDAB Cc1ccnc(N2CCCN(c3ccc4nnc(C)n4n3)CC2)n1 1775985981 MWHHISJOEXRGME-UHFFFAOYSA-N 324.392 1.248 0 40 DDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCc2ccccc2C1 32902708 DHMKXNQHOLLUPQ-UHFFFAOYSA-N 310.400 1.492 0 40 DDAB CCN(CC)C(=O)C[C@@]1(C)NC(=S)N(c2ccccc2)N1 128641 WOQYEHNRIHUJDW-HNNXBMFYSA-N 306.435 1.860 0 40 DDAB CCCS(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1 10594602 DKUXKKXSYYTEFS-UHFFFAOYSA-N 315.786 1.145 0 40 DDAB Cc1ccc(OCC(=O)NCc2nnnn2-c2ccccc2)cc1 10593054 KHXXHJOYTKTXPO-UHFFFAOYSA-N 323.356 1.666 0 40 DDAB NC(=O)CN1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2086869130 WCQROZYBDGFIRR-KOLCDFICSA-N 314.311 1.096 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889116 BFZHAISXLNXDTK-ZDUSSCGKSA-N 324.450 1.486 0 40 DDAB Cn1cccc(C(=O)NCc2nccnc2-c2ccco2)c1=O 575619532 MSNKTRVOHLYCJM-UHFFFAOYSA-N 310.313 1.365 0 40 DDAB Cc1nnc(NC(=O)[C@@H](C)Sc2ncnc3[nH]cnc23)s1 13578836 SJPBWLHLUARYBU-RXMQYKEDSA-N 321.391 1.632 0 40 DDAB CCOc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1OCC 30011279 FCAVTSVYBYYEMW-LLVKDONJSA-N 321.377 1.836 0 40 DDAB CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)C(C)C 30298752 BUKCJYFIFPXYCF-MRXNPFEDSA-N 318.421 1.459 0 40 DDAB O=C1CCc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2N1 100221754 QNRJBHDJTGJSMQ-KUDNYVPYSA-N 308.337 1.883 0 40 DDAB C[C@@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)CCO1 30975038 ZRYAZJKKUCTNOZ-LLVKDONJSA-N 303.387 1.995 0 40 DDAB COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(Cl)cc1 40466712 FOGURGZYWPWTEX-SECBINFHSA-N 305.783 1.265 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1ccccc1Cl 100685154 GKNLPLAIWNPUNY-UHFFFAOYSA-N 322.777 1.414 0 40 DDAB c1ccc(CN2CCO[C@@H](CNc3ncnc4[nH]cnc34)C2)cc1 40512384 GBFDJZGWAQMOMO-AWEZNQCLSA-N 324.388 1.666 0 40 DDAB COC(=O)[C@@H](C)N1CCN(Cc2cn3ccccc3n2)CC1 51533090 VLDIKJXXDOBEIU-CYBMUJFWSA-N 302.378 1.013 0 40 DDAB CN(C)c1ncccc1CNS(=O)(=O)c1ccccc1F 32437958 GRKPEHVOJGQLSI-UHFFFAOYSA-N 309.366 1.765 0 40 DDAB CCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1CO 52096474 RZVREVGTVINONY-UHFFFAOYSA-N 311.363 1.112 0 40 DDAB C[C@H](NC(=S)NCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 102247235 ZNJGOXRMCODLON-AJNGGQMLSA-N 311.495 1.607 0 40 DDAB C[C@@H](CNC(=O)c1ccc(O)nn1)N1CCc2sccc2C1 29879783 SPUCSYJYUGPKIB-JTQLQIEISA-N 318.402 1.420 0 40 DDAB Cc1nc(C2CC2)nc2sc(C(=O)NCC(=O)O)c(C)c12 76018294 DXMYPUAMORJSCH-UHFFFAOYSA-N 305.359 2.000 0 40 DDAB CCCc1n[nH]c([C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 76049657 BUTDXVDNQMJJCD-LLVKDONJSA-N 318.381 1.591 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)nn1 76018418 JVEFPPUYNFLYJQ-LBPRGKRZSA-N 316.365 1.171 0 40 DDAB CC(C)N1C[C@H](C)[C@@H](NS(=O)(=O)c2cnn(C(C)C)c2)C1 76058686 WRQQPDNYFFEPGK-JSGCOSHPSA-N 314.455 1.471 0 40 DDAB Cn1nnnc1-c1cccc(NCC(=O)NCc2ccco2)c1 78505017 FZFUNJKQJRBEMU-UHFFFAOYSA-N 312.333 1.198 0 40 DDAB Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cs1 78899271 IIGSYGDBNUUFKC-QMTHXVAHSA-N 308.407 1.262 0 40 DDAB CCc1ccc(C(=O)NC2(CC(=O)OC)CCN(C)CC2)o1 79013344 UXZJSZSJKFVHPT-UHFFFAOYSA-N 308.378 1.599 0 40 DDAB Cc1[nH]nc(-c2nn3c(-c4cnn(C)c4)nnc3s2)c1Cl 79490963 TZOCYWBTAUEXSW-UHFFFAOYSA-N 320.769 1.938 0 40 DDAB CNC(=O)CN(C)C(=O)c1csc(-c2ccc(OC)cc2)n1 52987929 PMMWNMWDHCBAEY-UHFFFAOYSA-N 319.386 1.637 0 40 DDAB O=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(Cl)cc1 2718974 BZFNUUGLBHPPAH-UHFFFAOYSA-N 321.768 1.068 0 40 DDAB COc1ccc(CNC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1OC 6640056 KNTUBHXMVJEJQM-JQWIXIFHSA-N 307.346 1.519 0 40 DDAB CC(C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8041651 XWGYPQWKBCCXJV-UHFFFAOYSA-N 306.334 1.255 0 40 DDAB COc1ccccc1[C@@H](NC(=O)NC1CC1)c1nccn1C 53919666 USKYFKUXNYEFBW-CQSZACIVSA-N 300.362 1.980 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1cnn(-c3ccccc3)c1)CC2 69778482 WORQSOWAIQLOKB-OAHLLOKOSA-N 308.389 1.877 0 40 DDAB Cc1c(C(=O)NC[C@H]2CCOC2)nnn1-c1ccccc1Cl 69701566 HYLKWSZNVUNDOS-LLVKDONJSA-N 320.780 1.995 0 40 DDAB Cc1ccc2[nH]c(C(=O)NCCCN3CCOCC3)cc2c1 23223750 QQOKIGZSMGGUAI-UHFFFAOYSA-N 301.390 1.928 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)NC[C@H]1CCCO1 47594353 FGUGVBDXPUNJKA-CQSZACIVSA-N 304.394 1.660 0 40 DDAB CCN(CC(=O)N[C@@H]1CCCCNC1=O)c1cc(C)cc(C)c1 54353005 MWFAHYKNHUVJQP-MRXNPFEDSA-N 317.433 1.915 0 40 DDAB COc1cccc2sc(NC(=O)N3CC[C@H](C(N)=O)C3)nc12 47753163 QKKQAYXHQMWYKG-QMMMGPOBSA-N 320.374 1.644 0 40 DDAB Cn1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cn1 24328976 OYXBIZGZVSKJHP-UHFFFAOYSA-N 310.361 1.483 0 40 DDAB CC(C)[C@H](C(=O)NCCc1ccccn1)N1C[C@H](C)O[C@H](C)C1 106153744 IBGHTTJARCMCDO-HLLBOEOZSA-N 319.449 1.874 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)[C@H](C)c1ccccn1 106911406 UYIKDCVCAKLKQI-QLFBSQMISA-N 320.437 1.893 0 40 DDAB C[C@@H]1CCCCN1C(=O)CCn1nc(O)c2ccccc2c1=O 25441205 HLVSSUHHIWQZJL-GFCCVEGCSA-N 315.373 1.893 0 40 DDAB O=C(C=C1CCCCC1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 56969164 NNIWOVZTZLFGPK-IRXDYDNUSA-N 322.449 1.730 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1cccs1)NC(=O)N2C 35529452 HMVDYXHQRZXJRR-GFCCVEGCSA-N 307.375 1.187 0 40 DDAB C[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100177791 XAEXRVSTRUUJFZ-AEGPPILISA-N 319.405 1.687 0 40 DDAB O=C1OCC[C@@H]1N1CCC(n2c(=O)[nH]c3ccccc32)CC1 44894332 NTMHAZYYZLDXMP-AWEZNQCLSA-N 301.346 1.282 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2nccs2)c(OC)c1 51356580 PXAKTWGNYYZGDW-UHFFFAOYSA-N 322.342 1.956 0 40 DDAB CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H](C)c1ccc(F)cc1 44972583 PYSHAQLVSMTXDK-NSHDSACASA-N 319.336 1.285 0 40 DDAB Cc1cccc(OCCC(=O)NC[C@@H]2CN(C)CCO2)c1C 58314703 KEGMPVONHICYJX-OAHLLOKOSA-N 306.406 1.519 0 40 DDAB COc1ccc2c(c1)CCN2S(=O)(=O)c1c(C)n[nH]c1C 58494944 UKVGNNUSZCDQHN-UHFFFAOYSA-N 307.375 1.787 0 40 DDAB O=C(NCC[C@@H]1CCCO1)c1ccc2c(=O)[nH]c(S)nc2c1 58411771 VBABISDUXWDENV-JTQLQIEISA-N 319.386 1.511 0 40 DDAB CS(=O)(=O)CCOC(=O)c1cccc(Br)c1 3411502 UCNOKIDHKHKJKH-UHFFFAOYSA-N 307.165 1.651 0 40 DDAB N[C@@H](CC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 119112194 BTKKOCTWXYQFPU-CVEARBPZSA-N 315.417 1.690 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 69978092 HIXLQRCVOGOPOI-AWEZNQCLSA-N 324.396 1.510 0 40 DDAB CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13331667 ZMDMNHYLMJPTIG-UHFFFAOYSA-N 310.419 1.628 0 40 DDAB CCCn1nnnc1CSc1nnc(-c2cccnc2)n1C 14013748 LONKKDFUWWYJPR-UHFFFAOYSA-N 316.394 1.566 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306134547 NRCAQRMPUISEJC-AWEZNQCLSA-N 319.405 1.761 0 40 DDAB O=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1ccc(F)c(F)c1 14183261 WHVKISLNYUJOGW-UHFFFAOYSA-N 307.256 1.022 0 40 DDAB CCn1c(=O)c2c3c(sc2n2nnnc12)COC(C)(C)C3 5437322 RZPHVGRFIJVZAA-UHFFFAOYSA-N 305.363 1.372 0 40 DDAB Cc1ccccc1C(C)(C)CNC(=O)CN1CSCC1=O 71185382 UGGYOTVBFNZUPT-UHFFFAOYSA-N 306.431 1.922 0 40 DDAB Cc1ccc(C)c(C[S@@](=O)Cc2cc(=O)n(C)c(=O)n2C)c1 66293823 MVEAVIDVHMWTAA-QFIPXVFZSA-N 320.414 1.150 0 40 DDAB CC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccccn1 4734957 PDMVPUMBAYEXCX-UHFFFAOYSA-N 313.313 1.836 0 40 DDAB Cc1nn(C)c(N)c1[C@@]1(O)C(=O)N(CC(C)C)c2ccccc21 6848180 JECDYMOKNKEKSB-QGZVFWFLSA-N 314.389 1.549 0 40 DDAB C[C@@H]1CCCN(C(=O)CNc2ccc(CC(=O)N(C)C)cc2)C1 96414778 ULEIAGANVNYWRY-CQSZACIVSA-N 317.433 1.988 0 40 DDAB O=C(COc1ccccc1)NCCn1cnc2ccccc2c1=O 61718821 RVRTZXAYEDKHCY-UHFFFAOYSA-N 323.352 1.592 0 40 DDAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc[nH]c2=O)cc1 7063388 NMBHQAWHMAOULS-LBPRGKRZSA-N 314.341 1.545 0 40 DDAB CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 8057731 CIEREFIQCOHEBJ-UHFFFAOYSA-N 318.826 1.875 0 40 DDAB Cn1cc(S(=O)(=O)N[C@@H]2CCOc3ccc(F)cc32)cn1 68938157 BLISHQYPZQVRLY-GFCCVEGCSA-N 311.338 1.361 0 40 DDAB Cc1cc(NC(=O)CN2CCN(C)c3ccccc3C2)no1 69090499 OULGUYCKOXKWTC-UHFFFAOYSA-N 300.362 1.874 0 40 DDAB CCCCn1c(SCCNS(C)(=O)=O)nc(C)c1C 70040105 ISASRYREHSSXCG-UHFFFAOYSA-N 305.469 1.941 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 69322591 QIEXZZYYAOKYCI-UWVGGRQHSA-N 300.355 1.064 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)N)C1 70173457 DDODBSNBMVSNLF-OLZOCXBDSA-N 312.435 1.752 0 40 DDAB CNC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 8424135 RFMHQPXUDDRVPC-UHFFFAOYSA-N 317.389 1.681 0 40 DDAB CC(C)=CCN1CCC(NC(=O)COC[C@@H]2CCCO2)CC1 71886039 TZWOJEOQZSKUAD-INIZCTEOSA-N 310.438 1.729 0 40 DDAB C[C@H]1COCCN1C(=O)C1=NN(c2ccccc2)C(=O)CC1 71804274 YGPTYFKJTCYJLF-LBPRGKRZSA-N 301.346 1.417 0 40 DDAB CCCCn1nnnc1COc1ccc2c(c1)CCC(=O)N2 71830663 PYJGUJOYATWWAX-UHFFFAOYSA-N 301.350 1.937 0 40 DDAB CCOc1ccc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)cc1 71903689 UKXORYFHNFUPJQ-LBPRGKRZSA-N 313.419 1.981 0 40 DDAB Cc1ccnc(NC[C@H]2CCN(Cc3nnnn3C3CC3)C2)c1 97200772 IJYKVTOPIHSBCO-CYBMUJFWSA-N 313.409 1.645 0 40 DDAB COc1cc([C@H](C)NCC2(C(N)=O)CCOCC2)ccc1F 97032474 VFDACBRRBSFTBF-NSHDSACASA-N 310.369 1.767 0 40 DDAB O=C(CN1CSCC1=O)Nc1ccc(N2CCCCC2)cn1 72281689 WXAUNILSUVQHGD-UHFFFAOYSA-N 320.418 1.543 0 40 DDAB Cc1nc(C)n(-c2ccccc2NC(=O)[C@H]2CC(=O)N(C)C2)n1 95418790 XICFJXYKKVNHJI-LBPRGKRZSA-N 313.361 1.301 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(C)n[nH]1)CC2 95410157 DWDOWZRZMLXYLD-KBPBESRZSA-N 307.394 1.039 0 40 DDAB O=C(c1ccsc1)N1CCN(CCOC[C@@H]2CCCO2)CC1 95400862 JOMVKEZHTLDJCC-HNNXBMFYSA-N 324.446 1.702 0 40 DDAB C[C@H](CN(Cc1ccccc1)C(=O)c1nccnc1N)C(=O)O 95463858 YUECKEHWHMWHBR-LLVKDONJSA-N 314.345 1.422 0 40 DDAB O=C(NC[C@@H](O)CO)Nc1cc(Br)ccc1F 95977186 YHNRSFXZZLFILT-SSDOTTSWSA-N 307.119 1.063 0 40 DDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C(=O)O 95973613 WKBFSZKPTCQDGZ-QWRGUYRKSA-N 312.391 1.627 0 40 DDAB CC(C)(O)CCn1nc(Br)nc1Br 95963790 WSJAGPTUPCDSIA-UHFFFAOYSA-N 312.993 1.964 0 40 DDAB CNS(=O)(=O)CCCN1CCC[C@@H]1c1noc(C2CC2)n1 89392272 LFHHBNKVBCVTFR-LLVKDONJSA-N 314.411 1.023 0 40 DDAB Cc1csc(=O)n1CC(=O)NCc1ccccc1CN(C)C 9917309 LLFZHUMPBRPGJQ-UHFFFAOYSA-N 319.430 1.596 0 40 DDAB C[C@@H](CNC(=O)c1ccc(F)c(F)c1)CN1CCN(C)CC1 75122171 HZNJDVLLAJFJKR-LBPRGKRZSA-N 311.376 1.578 0 40 DDAB Cn1cc(CCC(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 89755602 GFDFDVNUWBNBGQ-MRXNPFEDSA-N 314.389 1.960 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(F)c1F 89768147 DVDGTJFCDMDXEK-WDEREUQCSA-N 318.327 1.922 0 40 DDAB CC[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1cccs1 89947953 WNWKEFLMVROPHA-SECBINFHSA-N 314.388 1.870 0 40 DDAB OC[C@@H]1CCCN1c1cc(NCCOc2ccccc2)ncn1 75584600 YGOHICJTCAGBSB-AWEZNQCLSA-N 314.389 1.929 0 40 DDAB CCc1n[nH]cc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nc(C)no2)C1 1550530079 ZUBYJWNVFJBHNH-MEDUHNTESA-N 315.377 1.857 0 40 DDAB Cc1cc(CNC(=O)c2ccc3c(c2)OCO3)nc(N(C)C)n1 189970087 BWAHZLXDJQAMJW-UHFFFAOYSA-N 314.345 1.510 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O 218470563 NSWHTGUSYRGYPH-PMPSAXMXSA-N 311.447 1.741 0 40 DDAB CCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCCC(=O)O)cn1 564967700 RMIRKUBSBDDNTM-GXTWGEPZSA-N 309.366 1.304 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)C1CN(S(=O)(=O)C2CC2)C1 70838159 MCGIYSFWCWYRIX-NSHDSACASA-N 320.414 1.388 0 40 DDAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)[C@H]1CCCO1 72324401 PTQWZTKNIIWOOJ-IUODEOHRSA-N 319.405 1.196 0 40 DDAB NCCN[C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 73633130 GHUKAGGAUSLWNS-MRXNPFEDSA-N 304.415 1.750 0 40 DDAB Cc1c(CN2CCCC[C@H]2CCNS(C)(=O)=O)cnn1C 72344642 IGMMXLDVTVYHMY-AWEZNQCLSA-N 314.455 1.022 0 40 DDAB CCS(=O)(=O)c1ccccc1NC[C@@](C)(O)c1cnn(C)c1 195576218 JTKAJHLBKIXPRC-OAHLLOKOSA-N 323.418 1.533 0 40 DDAB COC(=O)Cc1ccccc1C(=O)N[C@@H](C)c1cnn(C)c1C 225800060 RADSHCGVQUUYQG-NSHDSACASA-N 315.373 1.935 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc(C)no3)C2)n1 41122120 WANOAYZSQYSOME-ZDUSSCGKSA-N 303.366 1.598 0 40 DDAB O=C(Cn1cc2ccccc2n1)N1CCOC[C@@H]1c1ncon1 329411417 DFGPJSTYWPCFAS-CYBMUJFWSA-N 313.317 1.019 0 40 DDAB c1ccc(-n2nnnc2N2CC[C@H](c3nc(C4CC4)no3)C2)cc1 573239748 BHXQVSXIUGUDOB-LBPRGKRZSA-N 323.360 1.917 0 40 DDAB CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@@H](C)n2cccn2)C(=O)O)C1 573459199 WCDOPWXFUVJGQB-YVECIDJPSA-N 309.366 1.219 0 40 DDAB S=C(NC[C@H]1CCCO1)N1CCN(Cc2ccccn2)CC1 225226272 SQKPHCITODRTSO-OAHLLOKOSA-N 320.462 1.253 0 40 DDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCc1ccco1 225877150 KNFVXLLKPATKGJ-UHFFFAOYSA-N 315.376 1.346 0 40 DDAB O=S(=O)(Cc1ccccc1F)N1CCOc2ncccc21 96452755 NJIJPQBXDBSDBW-UHFFFAOYSA-N 308.334 1.950 0 40 DDAB O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475303 PADJDLKGBWEDSG-NSHDSACASA-N 321.340 1.950 0 40 DDAB Cc1cccc(C(=O)N[C@H](C)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 96461452 DGMWDEAOYQFYAH-KBMXLJTQSA-N 318.417 1.781 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 96415631 SZTZGIGSAZCYJV-NWANDNLSSA-N 324.446 1.452 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2cccnc2)C1 96226914 IMHWYQHAJNIREM-CJNGLKHVSA-N 302.378 1.850 0 40 DDAB O=C(CN1CC[C@@H](CNc2ccccn2)C1)Nc1nccs1 97200629 JVCJQUDXOPSCLT-LBPRGKRZSA-N 317.418 1.911 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCCCN(C)C)CC(=O)N2C)cc1 96181327 JVFSNQRSHCKSIF-DOTOQJQBSA-N 317.433 1.582 0 40 DDAB Cc1ccc(CCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)o1 96460333 GNQKHRGWSTUQRC-INIZCTEOSA-N 322.405 1.520 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)nsc1NC 96495129 XEFYRDXBEIWHRK-SECBINFHSA-N 320.422 1.912 0 40 DDAB Cc1cc(CN2CCn3cc(C(=O)NC(C)C)nc3[C@@H]2C)no1 247940991 UTINOOXRHBYALO-LBPRGKRZSA-N 317.393 1.895 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc(OC(C)C)cc2)CCO1 257260737 LECVSAPEZMGFBX-KRWDZBQOSA-N 320.389 1.451 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2Cc2c[nH]cn2)n1 257219404 DGQVOGFLBSOROF-HNNXBMFYSA-N 300.366 1.173 0 40 DDAB CCN1C(=O)C[C@@H](C(=O)N(C)C)[C@@H]1c1ccc(OC)c(OC)c1 257269055 MOJWUCJZJMECCC-WBMJQRKESA-N 320.389 1.702 0 40 DDAB COc1ccc(C[C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)cc1 257290990 QFDHCRMBONWLDC-MRXNPFEDSA-N 315.373 1.512 0 40 DDAB Cc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)n1 257343605 ZTRGOVGQUNLZHX-BZUAXINKSA-N 303.406 1.450 0 40 DDAB CNCC(=O)N1Cc2nccn2C[C@H]1c1ccccc1OC 257270670 MVEVGTOTUQXMPY-ZDUSSCGKSA-N 300.362 1.195 0 40 DDAB Cc1cc(C)nc([C@H]2CCN(C(=O)CCc3ccnn3C)C2)n1 257269295 MPJLMQWHYUWILL-AWEZNQCLSA-N 313.405 1.776 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2cnc3ccccc3c2)CCO1 257279678 OHSCQCUMNLMHHV-KRWDZBQOSA-N 313.357 1.212 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cncc(-c2nc(C)c[nH]2)n1 257215500 CQKGHBDVUKCYBP-CYBMUJFWSA-N 301.350 1.485 0 40 DDAB Cc1cccnc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257280601 OLNOMRDFYKLWTL-HNNXBMFYSA-N 314.389 1.719 0 40 DDAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ncc(F)cn2)C1 390826592 ARGGKGNCWSPOGX-NSHDSACASA-N 306.297 1.514 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@H](Oc3ccncc3)C2)c1 575604673 CLYRZJAABZHVCR-ZDUSSCGKSA-N 322.390 1.047 0 40 DDAB COc1nc(CNC(=O)Cc2cccc(C)c2)nc(N(C)C)n1 575604233 VACAERFEECYULW-UHFFFAOYSA-N 315.377 1.114 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C 585096981 DCNXZGNFDXYQOU-GFCCVEGCSA-N 315.377 1.387 0 40 DDAB COCCN1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 585104194 KNZFSSUCOYXBTQ-SFHVURJKSA-N 318.417 1.384 0 40 DDAB O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 78571103 YIONWNUDDKCYPL-HZPDHXFCSA-N 319.449 1.236 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H](CO)CCS2(=O)=O 91302937 VGQHCCLCCOUQLR-LLVKDONJSA-N 319.423 1.183 0 40 DDAB CC(C)CCC(=O)N[C@@H]1CCCc2cn(CC(=O)N(C)C)nc21 96002932 HCILSTSHVLBNRP-CQSZACIVSA-N 320.437 1.901 0 40 DDAB C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(C(=O)O)cc1F 92114236 DJXJHLLUQVWTBE-QMMMGPOBSA-N 301.339 1.943 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(C3CCOCC3)CCO2)cc1 1615142624 PXRUCVRKOARPOY-SFHVURJKSA-N 305.418 1.780 0 40 DDAB O=c1nc(/C=C/c2ccccc2Cl)cc2n1CCN2CCO 5813081 RXZOQVURGPBVGS-AATRIKPKSA-N 317.776 1.879 0 40 DDAB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)c(OC)c1 5066895 QLXYKLYIOUFPQC-DGCLKSJQSA-N 303.318 1.115 0 40 DDAB Cc1cc(N2CCN(C)CC2)nc(SC(=O)C(F)(F)F)n1 5926366 KEBZRNLIRLEAHU-UHFFFAOYSA-N 320.340 1.718 0 40 DDAB COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@H]2C(N)=O)cc1 13638892 WNZGEMXWMYMOQV-VHSXEESVSA-N 322.411 1.784 0 40 DDAB CN(C)C(=O)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 16384948 CJOZKBBDMAXXGL-ZDUSSCGKSA-N 307.419 1.854 0 40 DDAB O=C(c1ccccc1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19368921 CJMMUQPXZTVCGM-CQSZACIVSA-N 308.385 1.752 0 40 DDAB C[C@H](CN1CCCCCC1)NC(=O)c1nc2ncccn2n1 19456157 DMGXPZZJVIVIHP-GFCCVEGCSA-N 302.382 1.119 0 40 DDAB COc1ccc(S(=O)(=O)NCCCC(=O)O)c2ccccc12 35685427 XAJIRSZAJNJYNS-UHFFFAOYSA-N 323.370 1.992 0 40 DDAB CCOC(=O)CCC(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390827147 FDQUZANUBKLCML-CYBMUJFWSA-N 309.366 1.734 0 40 DDAB COCCn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 1888974298 HEYNDIOCNKDCEL-UHFFFAOYSA-N 310.353 1.858 0 40 DDAB CCOc1ncccc1CNC(=O)c1ccc(-c2nnn[nH]2)cc1 30308577 NSMKYTFFGVGCFW-UHFFFAOYSA-N 324.344 1.590 0 40 DDAB CC(C)N1C[C@]2(CCN(C(=O)CC3CCC3)C2)COCC1=O 2037983625 AOZCMAFSAKPVTN-QGZVFWFLSA-N 308.422 1.663 0 40 DDAB CN(C)C(=O)[C@H]1CCO[C@H]2CCN(Cc3nccs3)C[C@@H]21 1565539240 CWKODVOPXOEOKC-XQQFMLRXSA-N 309.435 1.458 0 40 DDAB COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 99994 XQUCOWVOYICUFX-JDFRZJQESA-N 316.357 1.652 0 40 DDAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCOCC1 415748 YCAYNXCZCIIACR-UHFFFAOYSA-N 323.349 1.827 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1 9822429 PCQJSINOYDNGLL-CQSZACIVSA-N 302.355 1.292 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)CC2CCCCC2)CC1 43979518 IKXSSYDJAIKDJU-UHFFFAOYSA-N 316.467 1.745 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)no1 44226102 ROTWEZXGKVOCFH-GXSJLCMTSA-N 323.374 1.719 0 40 DDAB COC(=O)c1ccc(Cn2nc(-c3ccccn3)n(C)c2=O)o1 206639533 JLEMXJAYWPIGNJ-UHFFFAOYSA-N 314.301 1.072 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccc2c(c1)CCC2 40487746 NSFNTVNJACXXKP-UHFFFAOYSA-N 320.352 1.919 0 40 DDAB Cc1ccccc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 40467439 UTZXLLWSBSONFK-LBPRGKRZSA-N 313.444 1.733 0 40 DDAB C[C@@H]1CC(=O)c2c(OCC(=O)N3CCNC3=O)ccc(Cl)c21 40505669 RYJZGFUOGJPGST-MRVPVSSYSA-N 322.748 1.961 0 40 DDAB C[C@@H](CNC(=O)CN1CCCC1=O)N1CCc2sccc2C1 40509595 VZUGALDYDAATRO-LBPRGKRZSA-N 321.446 1.233 0 40 DDAB CCC(Nc1ccc(OC)cc1OC)=C1C(=O)NC(=O)NC1=O 101087747 ZMUSZUXWIQXDIH-UHFFFAOYSA-N 319.317 1.146 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@@H]2C[C@H]2C)cc1OC 32474605 HKFDQQSIXBYFMO-BDAKNGLRSA-N 303.355 1.777 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1cnn(C)c1 32539779 YETXHTVVEGDHQE-UHFFFAOYSA-N 300.362 1.693 0 40 DDAB Cc1cccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c1 32859761 SIFKBHKJRWZGOC-UHFFFAOYSA-N 313.357 1.511 0 40 DDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1 368022 KDMPYWQUGUIVKO-UHFFFAOYSA-N 309.329 1.282 0 40 DDAB CCCn1nc2c(cc1=O)CN(CCCN1CCCC1=O)CC2 76064639 LAWKCSYHUPISTR-UHFFFAOYSA-N 318.421 1.024 0 40 DDAB O=S(=O)(O)Nc1ccc(S(=O)(=O)O)c2ccccc12 1692002 LZSKWTVRRFATDI-UHFFFAOYSA-N 303.317 1.301 0 40 DDAB O=C(c1cccc(F)c1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 78788657 QEASTTZFCBARDL-KBPBESRZSA-N 310.344 1.636 0 40 DDAB Cc1ccc(NC(=O)Nc2cn(C)nc2C)cc1-n1cnnn1 78870007 CFHLDLFPAPWVBF-UHFFFAOYSA-N 312.337 1.657 0 40 DDAB CC(C)=CCC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 4027371 AYRGGDSIYYYSRA-GODIYZJISA-N 305.374 1.988 0 40 DDAB biogenic O=C(CNCCCN1CCOCC1)Nc1cccc(Cl)c1 37387689 MYVGVCCXGPAGMY-UHFFFAOYSA-N 311.813 1.590 0 40 DDAB CCN(Cc1ccco1)C(=O)NC[C@H]1CCS(=O)(=O)C1 42324749 OOPBSLMELNDFSZ-LLVKDONJSA-N 300.380 1.246 0 40 DDAB COCCN1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 54187831 MILJSXNZDZIILD-UHFFFAOYSA-N 323.412 1.048 0 40 DDAB COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1OC(C)=O 59418016 VLTUUDBTLHUJEK-IZZDOVSWSA-N 323.326 1.953 0 40 DDAB COn1ccc2oc(=O)c(NC(=O)c3ccccc3)cc2c1=O 1387740 HQWBGXFYOUHVOL-UHFFFAOYSA-N 312.281 1.265 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@@H](C)[C@H](C)n1cc(C)cn1 106845579 LWEIWNITNHDGNN-ARPNGITCSA-N 318.425 1.398 0 40 DDAB C[C@H]1CN([C@H](C)CNC(=O)/C=C/c2cnccn2)C[C@@H](C)O1 107493622 KNFDLDNGJXJQCT-KMOUYIMBSA-N 304.394 1.104 0 40 DDAB COc1cccc(COCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 71829551 JJVHULZGVKYLGM-GXTWGEPZSA-N 320.389 1.324 0 40 DDAB Cc1ccc(F)c(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 71896327 QQWXCYQYRXEUCB-LLVKDONJSA-N 314.382 1.275 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1 44869695 DEJGINUWOCXNIR-UHFFFAOYSA-N 316.810 1.629 0 40 DDAB Cc1nc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)cs1 108532725 CJARHCQYPUKWEF-GJZGRUSLSA-N 321.446 1.777 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C(F)(F)F 58249781 JZFJCJQFBGWZQY-UHFFFAOYSA-N 310.297 1.120 0 40 DDAB CN(Cc1nnc2ccccn12)C(=O)CCNC(=O)C(C)(C)C 58202198 ISLIELPERGIEKZ-UHFFFAOYSA-N 317.393 1.240 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 71870685 ITXPMMUCEUIOER-GFCCVEGCSA-N 322.434 1.142 0 40 DDAB CCOCCCN1C(=O)/C(=C/c2ccccc2O)NC1=S 104991088 SSBWTESBCDWZMR-BENRWUELSA-N 306.387 1.876 0 40 DDAB CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(CCOC)n1 44918962 NUKADVSQDQWQDW-OLZOCXBDSA-N 307.394 1.588 0 40 DDAB Cn1ccc(Cn2c(S(C)(=O)=O)nc3ccccc32)cc1=O 44978247 HVJKMNMPHNHJAQ-UHFFFAOYSA-N 317.370 1.187 0 40 DDAB Cc1ccc(NCC(=O)N2CCCC[C@@H]2C)cc1-n1cnnn1 44914037 RDJOBBPFWDGRMZ-ZDUSSCGKSA-N 314.393 1.784 0 40 DDAB C[C@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)[C@@H]1CCCO1 27884816 KSXIOLOBPLDAQB-UWVGGRQHSA-N 323.374 1.249 0 40 DDAB O=C(Nc1ncccn1)C1CCN(CC2(O)CCCCC2)CC1 58368119 CALKIIAZQYYRRQ-UHFFFAOYSA-N 318.421 1.822 0 40 DDAB CC(C)(C)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1 58412108 UUVNEQLLOLXMTC-UHFFFAOYSA-N 317.433 1.749 0 40 DDAB COC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O 11637785 CNZRYPDXXNNKKJ-UHFFFAOYSA-N 318.329 1.341 0 40 DDAB C[C@@H]1NC(C(=O)Nc2nccs2)=NN(c2ccccc2)C1=O 46016842 OMUIXGGDXHLFTN-VIFPVBQESA-N 315.358 1.420 0 40 DDAB CN1CCN(CCNC(=O)c2sccc2-n2cccc2)CC1 48325541 KFYAAMCQFYSGIK-UHFFFAOYSA-N 318.446 1.516 0 40 DDAB COc1cc(F)cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1 94058253 PHZGDUACSNMXMP-UHFFFAOYSA-N 321.352 1.351 0 40 DDAB C[C@@H]1C[C@@H](N2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C(=O)O1 13163300 SIHLDCYFNGFWGP-VYROHLMNSA-N 300.314 1.084 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 8877493 IOAAGQITDKNHCF-GFCCVEGCSA-N 312.391 1.366 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2ccccn2)C1 65449299 IHJWCSANZQTUJJ-ZDUSSCGKSA-N 314.393 1.342 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1c1ccncc1 65433925 WECXCKUTMITRJW-HNNXBMFYSA-N 304.394 1.260 0 40 DDAB C[C@@H](CCc1ccco1)NC(=O)NCC(=O)Nc1cccnc1 65566675 WLEXKPOYSUUZSH-LBPRGKRZSA-N 316.361 1.934 0 40 DDAB Cc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(O)N(C)C2=O)cc1 9053520 OZMQTEXIFZNUJQ-LBPRGKRZSA-N 315.251 1.369 0 40 DDAB O=C(OCc1cc(=O)n2ccsc2n1)C1(O)CCCCC1 14146898 PWNUQIVMUMAUQP-UHFFFAOYSA-N 308.359 1.494 0 40 DDAB COCCN1CC[C@@H](CNC(=O)[C@H](OC)c2ccccc2)C1 65612985 HGSKPZPJHJGGCR-GOEBONIOSA-N 306.406 1.459 0 40 DDAB O=C(NCCCCCNC(=O)c1ccncc1)c1ccncc1 4559255 PDAVFFFFPJVRTC-UHFFFAOYSA-N 312.373 1.807 0 40 DDAB Cc1ccccc1NC(=O)C(=O)N[C@H]1COc2ccccc2O1 27298794 PUFRNBRLCWFRLM-OAHLLOKOSA-N 312.325 1.847 0 40 DDAB CCOC(=O)C1=C(CSc2ncccn2)NC(=O)N[C@@H]1CC 6913361 YRHPUDMVNMFALY-SECBINFHSA-N 322.390 1.477 0 40 DDAB Cn1cc(C(=O)NCC(=O)NCc2ccco2)c2ccccc21 7258538 PQEXNWRWNGMJSP-UHFFFAOYSA-N 311.341 1.818 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 68125139 BPEZCKSQDOHKSI-CMPLNLGQSA-N 304.394 1.875 0 40 DDAB Cc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 7921730 HWHBEXDTEDKCIN-CYBMUJFWSA-N 313.444 1.532 0 40 DDAB O=c1cc(CSc2nnnn2C2CC2)nc2sccn12 8071855 BAFSXPRURNCOMP-UHFFFAOYSA-N 306.376 1.370 0 40 DDAB CCCCNC(=O)CN(C)CC(=O)Nc1ccc(OC)cc1 8093213 GHUAHINRTBXURH-UHFFFAOYSA-N 307.394 1.482 0 40 DDAB CCCN1CCC(NC(=O)c2ccccc2-n2cnnn2)CC1 69322812 HGEVKVXYSNNUAP-UHFFFAOYSA-N 314.393 1.267 0 40 DDAB NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc2C1 17031969 HQKZDEVKPXZDMZ-UHFFFAOYSA-N 309.369 1.782 0 40 DDAB COc1cccc(S(=O)(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 69440849 RLWIWRKHSGCCHK-BETUJISGSA-N 313.419 1.578 0 40 DDAB COc1cc(NC(=O)c2ccc(=O)n(C)n2)c(OC)cc1Cl 9499940 FCCRVUZCEXBMKR-UHFFFAOYSA-N 323.736 1.703 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N(C)CCN(C)c1ccccc1 69584944 KPTMWBGULQADKZ-OAHLLOKOSA-N 305.422 1.302 0 40 DDAB O=C(CN1CCc2cncnc2C1)NCCC1=CCCCC1 69538625 KKSDEVVLKOKPNA-UHFFFAOYSA-N 300.406 1.841 0 40 DDAB Cc1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)no2)cc1 69709285 ANSSZALFVKLIMG-CYBMUJFWSA-N 310.361 1.741 0 40 DDAB COCCS(=O)(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 71909114 IJHWKXOYRWCDHT-LBPRGKRZSA-N 322.377 1.133 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(F)cc1F 72300589 LKBLSKJKDWVTKT-HZMBPMFUSA-N 318.389 1.724 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 97046899 AQVKRSGBQDTVKO-SNVBAGLBSA-N 323.201 1.648 0 40 DDAB O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H](CO)c1ccccc1 97047520 PPDXPQOQCLBCQS-KRWDZBQOSA-N 322.368 1.795 0 40 DDAB COc1nc(C)nc(NC2CCN(c3ncccn3)CC2)c1C 97097211 UFCSOZZUCODKOP-UHFFFAOYSA-N 314.393 1.973 0 40 DDAB CN(C)S(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 95436002 PGMHCCKFBYUHKL-UHFFFAOYSA-N 318.826 1.990 0 40 DDAB C[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)[C@H]1CCOC1 95980833 AEKIANFBPNSZJZ-ZJUUUORDSA-N 305.346 1.809 0 40 DDAB CCC[C@](C)(CNC(=O)CCCOC)NC(=O)CCCOC 75145204 UNELDJIHRGQXDL-MRXNPFEDSA-N 316.442 1.631 0 40 DDAB Cn1cccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 75354524 BALMGUFYABKTQA-AWEZNQCLSA-N 315.373 1.929 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCC(=O)N1 89969264 MXYHXXBMNACNGA-LBPRGKRZSA-N 304.346 1.085 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H]2CNC(=O)N2)C2CC2)o1 89922266 JQLJKELTRXQTHT-WQAKAFBOSA-N 303.362 1.575 0 40 DDAB CCN(C(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1OC)C1CC1 75605350 GWXXMUBGFSYIPA-CQSZACIVSA-N 320.437 1.885 0 40 DDAB N[C@@H]1CN(C(=O)NCc2cccc3c2OCC3)CC12CCC2 1553531393 QBJKDXSXLXLOIF-CQSZACIVSA-N 301.390 1.644 0 40 DDAB Cc1nc(NCc2snnc2C)cc([C@@H]2CNCCO2)n1 72387883 IZUCLVCYDYMTGI-NSHDSACASA-N 306.395 1.218 0 40 DDAB CCCCCNc1ccc(S(=O)(=O)NC)cc1C(=O)O 217537413 ZDOYMAWIFMIBJT-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB O=C(CN1CCOCC1)N1CCC[C@H](Cc2ccccn2)C1 72385602 PMJSTHIRAXPDSR-OAHLLOKOSA-N 303.406 1.195 0 40 DDAB CCn1cnnc1CN(C)C(=O)c1ccc2c(c1)OCCN2C 71404092 YDHMITWOGHVULL-UHFFFAOYSA-N 315.377 1.399 0 40 DDAB Cc1ccc(C(=O)NCCc2ccncc2)c(-n2cnnn2)c1C 79484821 KBJOEPKRJZVTPW-UHFFFAOYSA-N 322.372 1.647 0 40 DDAB CCOC(=O)c1cnc(S(C)(=O)=O)nc1-c1ccncc1 85345146 GUVTVFSOPFSUSD-UHFFFAOYSA-N 307.331 1.119 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 84937511 AWKPSSJUIAUDEX-UHFFFAOYSA-N 322.386 1.676 0 40 DDAB Cc1ccc2c(cnn2CCC(=O)NCCC(=O)N(C)C)c1 223292862 UBTBKSUUZYEXLT-UHFFFAOYSA-N 302.378 1.329 0 40 DDAB CCOC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1 85385650 ZTCUSYYSUNFCQG-UHFFFAOYSA-N 307.306 1.674 0 40 DDAB CC(C)(C)OC(=O)CN[C@]1(C)CCN(C(=O)c2ccco2)C1 225670136 VPKABQRSOHOUMI-MRXNPFEDSA-N 308.378 1.816 0 40 DDAB O=C(O)c1ccccc1OCCN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 573459941 JHRUHFQELDVWTD-WMHQRMGPSA-N 301.342 1.649 0 40 DDAB Cc1cccc2cc(C(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 226035289 MNQUSHBIWLUGFP-UHFFFAOYSA-N 314.341 1.439 0 40 DDAB O=C(O)c1nn(-c2ncccc2Br)nc1Cl 89261671 QBZIJEJYCJFAGM-UHFFFAOYSA-N 303.503 1.776 0 40 DDAB [N-]=[N+]=NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 140684445 CVRFMOBBSDOZKY-QXEWZRGKSA-N 312.399 1.139 0 40 DDAB O=C(c1ccco1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 96159519 WDWMTCYEULEFID-QGZVFWFLSA-N 311.341 1.944 0 40 DDAB Cc1ncccc1C(=O)OCCCn1nc2ccccn2c1=O 96425237 UZDMCIYDIHZQEV-UHFFFAOYSA-N 312.329 1.447 0 40 DDAB O=C(NCC1CC1)[C@@H]1COC2(CCN(c3nncs3)CC2)C1 96224886 ZCGXMFZQGXWGEV-LBPRGKRZSA-N 322.434 1.440 0 40 DDAB COCCn1cc2c(n1)[C@H](COCc1c(C)noc1C)OCC2 96044227 WUEWFNGYPGAMOY-HNNXBMFYSA-N 321.377 1.965 0 40 DDAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)OC2(C)C)sc1C 95477862 CPCZTMLWOFMEOB-ZETCQYMHSA-N 312.347 1.518 0 40 DDAB CC(C)NC(=O)[C@H]1CN(C(=O)c2ccco2)CC12CCOCC2 96052110 MASPVALSKAAAFV-CYBMUJFWSA-N 320.389 1.673 0 40 DDAB c1cc(CN2CCOC[C@@]3(C2)CN(CC2CC2)CCO3)ccn1 96049847 ALZZVLLMZLVYTJ-GOSISDBHSA-N 317.433 1.395 0 40 DDAB O=C(C[C@H]1OC[C@H]2CN(c3ncccn3)CC[C@H]21)N1CCCC1 96206491 MTMBXCRDNOGJLT-RBSFLKMASA-N 316.405 1.330 0 40 DDAB c1cnc(NC[C@H]2OC[C@@H]3CCN(C[C@@H]4CCOC4)C[C@H]23)nc1 96185536 KTRCISDSSWLUSY-YHUYYLMFSA-N 318.421 1.262 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 245777271 YJIAZQULELQLNO-BNOWGMLFSA-N 312.435 1.917 0 40 DDAB CC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 247949007 QCQJIBVMSAECAT-SNVBAGLBSA-N 302.334 1.329 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 257329019 XIBBLSWRHSITHY-ZDUSSCGKSA-N 301.394 1.627 0 40 DDAB C[C@]12CCCN(C(=O)COc3cccnc3)[C@H]1CCCC(=O)N2 257251272 JQBNPQOTSIWZCO-YOEHRIQHSA-N 317.389 1.510 0 40 DDAB O=S(=O)(c1cccs1)N1CCO[C@@H](c2cnccn2)C1 257235707 GZAMJMZAAQDSQQ-LLVKDONJSA-N 311.388 1.300 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 252477801 VSIHOIRCGNTOAP-JONQDZQNSA-N 307.438 1.681 0 40 DDAB Cc1nc(CC(=O)N2CCO[C@@H](c3ccncc3)C2)cs1 257228742 FVAQUXQBJIZYIG-CQSZACIVSA-N 303.387 1.989 0 40 DDAB CS(=O)(=O)N1CCC(N2CCC[C@@H]2c2ccncn2)CC1 257271148 MXBFLZQQBYCDEP-CQSZACIVSA-N 310.423 1.038 0 40 DDAB COc1cc(N2CCN(Cc3ccccc3F)CC2)ncn1 184073616 JSLCMKNHHRSYKY-UHFFFAOYSA-N 302.353 1.947 0 40 DDAB Cc1ccc(F)cc1NC(=O)CN1CC[C@H](O)[C@]2(CCCO2)C1 257310931 UHFWXIQKIUZWQZ-RDJZCZTQSA-N 322.380 1.688 0 40 DDAB CNC(=O)[C@@H]1CN(C)CCN(CC2=Cc3ccccc3OC2)C1 257236665 HDDJYJKGQPQFQZ-MRXNPFEDSA-N 315.417 1.072 0 40 DDAB Cc1nnc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)s1 271464325 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Cc1cc(N)nc(SCC(=O)NOCc2ccccc2)n1 60710198 OHKHKFQJJFBNSK-UHFFFAOYSA-N 304.375 1.707 0 40 DDAB O=C(CCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 85436663 MDJWDWJJTWSNHO-SFHVURJKSA-N 316.445 1.924 0 40 DDAB O=C1NC(=O)[C@]2(CCN(c3nc4ccc(F)cc4s3)C2)N1 641385716 SSUHPHAMVNVUCY-CYBMUJFWSA-N 306.322 1.224 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F 1548448167 PYWMARSRXXGHEV-NWDGAFQWSA-N 302.296 1.351 0 40 DDAB COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@H]1OC 5019457 OMLDMGPCWMBPAN-DGCLKSJQSA-N 313.785 1.038 0 40 DDAB in-vitro COc1ccc(OC)c2c1cc(C(=O)N1CC[C@H](CO)C1)n2C 12290568 YOSJCNSEMZWZEJ-NSHDSACASA-N 318.373 1.650 0 40 DDAB COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCCNC(=O)[C@H]1C 530521165 GPGDRVOEBFUPNU-VXGBXAGGSA-N 318.373 1.298 0 40 DDAB CCN(Cc1cncn1C)[C@H]1CCOC2(CCN(C)CC2)C1 643914316 OOMZTCRTAPKFFI-HNNXBMFYSA-N 306.454 1.885 0 40 DDAB Cc1cccc(CN2CCO[C@H](C(=O)N3CCOCC3)C2)c1 1889122703 FTSFNZORQWSTDT-INIZCTEOSA-N 304.390 1.055 0 40 DDAB Cn1ccc2c(N3CCN(c4cnsn4)CC3)ncnc21 1889134408 DQFLDDLDHISTBK-UHFFFAOYSA-N 301.379 1.146 0 40 DDAB O=C(Cn1ccccc1=O)NCc1coc(-c2cccs2)n1 25403912 OHTZKBLCELYLLZ-UHFFFAOYSA-N 315.354 1.881 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1 28223210 KXFHCDHSSDBDRQ-LLVKDONJSA-N 304.318 1.327 0 40 DDAB CCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O 32297934 BNVROIKNKFNMQQ-LBPRGKRZSA-N 302.378 1.489 0 40 DDAB CN(CCN1C(=O)c2ccccc2C1=O)CC1=CCCOC1 93837876 JHPOWZOUEPEUBM-UHFFFAOYSA-N 300.358 1.561 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(Cc2cncs2)CC1 376634419 KVIAJGXFQRBDPZ-UHFFFAOYSA-N 301.437 1.143 0 40 DDAB C[C@H](N)C(=O)N1Cc2ccccc2O[C@@]2(CCCN(C)CC2)C1 72394791 YCNQXHSTPRIQLA-KBXCAEBGSA-N 317.433 1.609 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccnc3ccccc23)C1 131353193 JQHXYPZOEMUTSU-GFCCVEGCSA-N 305.403 1.753 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1c(OC)cccc12 100029507 ZZEJARMIQWCWFO-PGUXBMHVSA-N 322.386 1.502 0 40 DDAB CCCNC(=O)[C@H]1CCCN(c2nc3nc[nH]c(=O)c3s2)C1 40478782 IDZGYGIZYKUOSV-VIFPVBQESA-N 321.406 1.122 0 40 DDAB Cc1cnc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1 40475594 NBZWEYUSBIHSGA-UHFFFAOYSA-N 301.350 1.039 0 40 DDAB C[C@H](C(=O)Nc1cccnc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100634385 FUFFUWWYBZPBKF-BDWDCIJZSA-N 311.341 1.216 0 40 DDAB COc1ccc2cc(C(=O)N[C@H](C)CN3CCOCC3)[nH]c2c1 40535735 DGTQXUZQIBEOBQ-GFCCVEGCSA-N 317.389 1.627 0 40 DDAB Cn1ncc2c(NCCO)nc(Nc3cccc(F)c3)nc21 100938795 QQKLOCBOQCBWFK-UHFFFAOYSA-N 302.313 1.650 0 40 DDAB C[C@H](NCC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1Cl 51562967 NJHFGFNCWKMMFM-SMDDNHRTSA-N 323.824 1.776 0 40 DDAB O=C(CCn1c(=O)sc2ccccc21)NC1=NCCS1 246107 OMPATJVURHLQPW-UHFFFAOYSA-N 307.400 1.672 0 40 DDAB C[C@H](NC(=O)NCC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 41198790 LOOBFFNYFTZWNN-ZETCQYMHSA-N 317.267 1.940 0 40 DDAB COc1ccc2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c1 32868882 KLKFRKOJWFVIBN-NSHDSACASA-N 320.370 1.160 0 40 DDAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 32980181 XCKQIAGGLYHOLF-UHFFFAOYSA-N 304.799 1.730 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 796699 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CCn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O 4999913 ZRQMPFOCYBBOJA-UHFFFAOYSA-N 315.373 1.196 0 40 DDAB N[C@@H](CNS(=O)(=O)c1cccc2nonc12)c1ccccc1 96483356 BWBGUHOUGHXXHX-NSHDSACASA-N 318.358 1.201 0 40 DDAB C[C@@H]1CN(S(=O)(=O)Nc2ccc(C(=O)O)cc2)C[C@@H](C)O1 37462827 YMTHXYYRKOJVDN-NXEZZACHSA-N 314.363 1.151 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)C1 25168634 ZUWRYWYSKRXRTJ-JQWIXIFHSA-N 323.349 1.112 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)Cn1c(=O)sc2ccccc21 102701966 QCPLZDHSLGKXOI-GHRIWEEISA-N 316.386 1.730 0 40 DDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1cccc(C(=O)OC)c1 25261761 XZKBPRAXHOCELT-JOYOIKCWSA-N 307.350 1.495 0 40 DDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2nccs2)C1 25529189 KUNQOEICBOBLGJ-QWRGUYRKSA-N 311.407 1.745 0 40 DDAB COc1cccc(CCC(=O)N2CCN(CC(C)(C)O)CC2)c1 69929186 QPLRHSGACRNUDR-UHFFFAOYSA-N 320.433 1.543 0 40 DDAB O=C(NCc1nc(-c2ccncc2)no1)c1cccc2[nH]nnc12 97103819 ZJVCOHWWTLWXME-UHFFFAOYSA-N 321.300 1.333 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@H](O)c1cccc(Cl)c1 97159931 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c1csc(Cc2nnc3ccc(N4CCNCC4)nn23)c1 38478035 IXPQIIWMFSTVLY-UHFFFAOYSA-N 300.391 1.186 0 40 DDAB CCC(=O)Nc1cc(O)nc2nc(CCc3ccccc3)nn12 8970065 GPXPQTOBDZZKTB-UHFFFAOYSA-N 311.345 1.964 0 40 DDAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc2nncn2c1 65199027 WCTQEINRUHFWGL-UHFFFAOYSA-N 318.314 1.259 0 40 DDAB Cc1c(NC(=O)c2cnccn2)c(=O)n(-c2ccccc2)n1C 6253970 SHAFDPFLKZGSGN-UHFFFAOYSA-N 309.329 1.527 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cn(C)c2ccccc12 5261453 DJPPZXCOQMATRI-UHFFFAOYSA-N 303.318 1.181 0 40 DDAB Cc1cc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)ncn1 92946182 FVQWUVGLMYWKHJ-UHFFFAOYSA-N 313.361 1.327 0 40 DDAB CCN1CCN(C(=O)CC2CCN(c3ccccn3)CC2)CC1 66468192 JPGCKISYWWHIAS-UHFFFAOYSA-N 316.449 1.852 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2ccc(C(C)C)cc2)C1=O 5878856 JLUKAKZNPTVXKN-UHFFFAOYSA-N 302.330 1.803 0 40 DDAB O=C(NCCn1cccn1)NC1CCN(CC(F)(F)F)CC1 172021486 ZQICQWNEIHYBJY-UHFFFAOYSA-N 319.331 1.209 0 40 DDAB Cc1cc(NC(=O)C(=O)N(C)Cc2csc(C)n2)sn1 96013265 ZGCFZJXANVGQSV-UHFFFAOYSA-N 310.404 1.814 0 40 DDAB COc1ccccc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 7681954 CKKZKSJUCFRMSA-UHFFFAOYSA-N 302.286 1.124 0 40 DDAB COC(=O)c1ccc(NC(=O)c2cc(=O)c(OC)co2)cc1 16850770 HISRVKQPVMFWQU-UHFFFAOYSA-N 303.270 1.687 0 40 DDAB NS(=O)(=O)c1ccc(Sc2ccc3c(c2)OCCO3)nc1 8229645 AJJWTCHIMWCAOA-UHFFFAOYSA-N 324.383 1.651 0 40 DDAB CC1CCN(C(=O)COc2ccccc2P(=O)(O)O)CC1 9418417 LHVGPBQRHPZSKY-UHFFFAOYSA-N 313.290 1.127 0 40 DDAB O=C(CN1CCC[C@H](C2OCCO2)C1)NCc1ccccc1 69415058 AHWQAJQCSHEAPZ-HNNXBMFYSA-N 304.390 1.388 0 40 DDAB CCCc1noc([C@H](C)N2CCC(NS(C)(=O)=O)CC2)n1 69456034 DGYCUDCJZDZYDL-JTQLQIEISA-N 316.427 1.097 0 40 DDAB CC(C)(C)OC(=O)N[C@H](CCOCC(F)(F)F)C(=O)O 69553916 WNRVREAHHSBTRB-SSDOTTSWSA-N 301.261 1.933 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NNc2ccccc2)C1=O 17250713 ZDAOFXMRHDLMPA-ACCUITESSA-N 316.361 1.756 0 40 DDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 9418328 UXCNRTJIRCADFE-CHWSQXEVSA-N 324.427 1.350 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)c1nc(Cl)ccc1Cl 69776173 ONLPBKWHUOWKHP-NSHDSACASA-N 316.188 1.985 0 40 DDAB O=C(CCCc1ccccc1)NCCCN1CCC(O)CC1 71911512 RIEOLZPAUBVSMX-UHFFFAOYSA-N 304.434 1.972 0 40 DDAB CC(C)C[C@@H](C)n1nccc1NC(=O)[C@H](C)S(C)(=O)=O 71903422 SKQLQQDGXOETIJ-MNOVXSKESA-N 301.412 1.862 0 40 DDAB CN(C)S(=O)(=O)c1cccc(CN2CCn3ccnc3C2)c1 97201046 FEUASOPOCQIECQ-UHFFFAOYSA-N 320.418 1.149 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1cn2ccsc2n1 97212253 ZBRMYZMFDWJNMT-UHFFFAOYSA-N 300.303 1.051 0 40 DDAB CCN1C(=O)c2cccc3cc(S(=O)(=O)O)cc(c23)C1=O 94993260 ZAWXKZQKTACVQV-UHFFFAOYSA-N 305.311 1.702 0 40 DDAB Cc1c(NS(=O)(=O)CC(C)C)c(=O)n(-c2ccccc2)n1C 84005379 PZKZXPHCJGJWFO-UHFFFAOYSA-N 323.418 1.882 0 40 DDAB CC(C)c1nnc(SCc2nc(N)nc(N)n2)n1C1CC1 9836420 HPMSCEZCMJBPTG-UHFFFAOYSA-N 306.399 1.378 0 40 DDAB Cn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2ccccc21 22234191 ARZXKPOMFCWZMA-UHFFFAOYSA-N 321.336 1.890 0 40 DDAB COc1c([C@H]2CCCN2C(=O)C[C@H]2CCCO2)c(C)nn1C 72234386 RKOPUCRTXVZIOI-CHWSQXEVSA-N 307.394 1.970 0 40 DDAB COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)C(=O)NC(C)(C)C 95414977 CSJHBVAZYSTOKO-WDEREUQCSA-N 309.414 1.152 0 40 DDAB CN1CCN(C(=O)C2CCN(c3ccncc3Cl)CC2)CC1 95408541 FIITUTWCJTXUEH-UHFFFAOYSA-N 322.840 1.725 0 40 DDAB C[C@@H](CCNC(=O)NCc1cccc(N(C)C)n1)[S@@](C)=O 95437726 KRPMCCQUZAHTBO-MQJDWESPSA-N 312.439 1.104 0 40 DDAB CCOC(=O)/C=C/CN1CCN(C(=O)c2ccccc2)CC1 95964898 QLFYOTGHOGWZBX-RMKNXTFCSA-N 302.374 1.564 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cc[nH]n1 95952536 BOWZPXDOQCCINX-MRXNPFEDSA-N 312.373 1.562 0 40 DDAB COCCN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 75127115 LOHBJNQCQAMOHI-UHFFFAOYSA-N 322.258 1.888 0 40 DDAB O=C(NCc1ccnc2ccccc12)N[C@@H]1CC(=O)N(C2CC2)C1 89866670 MCTBOCYPDBUZDQ-CYBMUJFWSA-N 324.384 1.797 0 40 DDAB CC[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H]1N(C)C 89948466 YMLKMEJZKYQIDJ-QWRGUYRKSA-N 318.343 1.701 0 40 DDAB CCN(CC)[C@H](C)CNC(=O)NCc1nnc2n1CCCCC2 89967759 XFOQPACUWWXBHC-CYBMUJFWSA-N 322.457 1.534 0 40 DDAB CCC(=O)C1(C(=O)N2CCN(Cc3ccccn3)CC2)CC1 556122573 AWQRUJWTABTYEE-UHFFFAOYSA-N 301.390 1.485 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c(C)n1C1CC1 1548765365 GQMHEJKBVLZBJP-NSHDSACASA-N 300.366 1.583 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCO[C@H](COC(C)C)C3)cn12 548439350 FCWMYVJFHNZPKN-AWEZNQCLSA-N 318.377 1.304 0 40 DDAB CC1(C)[C@H](O)CCN1C(=O)c1ccnc(NC(=O)C2CC2)c1 514641458 GTBTUNAGQVPQLR-GFCCVEGCSA-N 303.362 1.416 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)NC[C@H]3CCCN3)c2)n1 514660901 IDSFJZNNYBNLOR-CYBMUJFWSA-N 300.366 1.356 0 40 DDAB O=C(COc1ccc2c(c1)NC(=O)CC2)NCCn1cccc1 524734064 SNTKPJXZHJBXGT-UHFFFAOYSA-N 313.357 1.568 0 40 DDAB CCOC(=O)N[C@](Nc1ncccn1)(C(=O)OC)C(F)(F)F 79482846 XGPAPONNNSZNTD-SNVBAGLBSA-N 322.243 1.066 0 40 DDAB Cc1cc(C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)on1 72394836 QXAVKLPKJAJZMC-AWEZNQCLSA-N 315.373 1.948 0 40 DDAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCCCn1ccnc1 35897831 YQFSMMHEUONBBL-RQJABVFESA-N 303.362 1.302 0 40 DDAB CC(=O)[C@@H](NC(=O)CN1CCC[C@H](N2CCCC2)C1)C(C)C 77315769 BBUOFYLRNUXUCG-RDJZCZTQSA-N 309.454 1.276 0 40 DDAB NCC(=O)N1CCC[C@@H](CN(Cc2ccccc2)C2CC2)C1 79391050 HADZEMKQQPUBJC-MRXNPFEDSA-N 301.434 1.848 0 40 DDAB CCOCCCNC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 35291214 JMMAMMUWBBRIJQ-OAHLLOKOSA-N 320.437 1.853 0 40 DDAB COC(=O)c1ccc(Cn2cc(-c3nc(C)no3)ccc2=O)o1 75165611 KJMHISWCHCDKEY-UHFFFAOYSA-N 315.285 1.635 0 40 DDAB CSC[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78122014 DLHFQDPKPOCSRI-ZFWWWQNUSA-N 308.447 1.755 0 40 DDAB CC[C@H](C(=O)O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 191426122 QYLMJKZJEKOZKJ-CQSZACIVSA-N 323.368 1.245 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@H]2Cc3ccccc3CO2)cn1C 225787343 WXMFOKIQZZYGBQ-CQSZACIVSA-N 321.402 1.148 0 40 DDAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 223597282 KHBYGDSHNRBOLZ-UONOGXRCSA-N 302.403 1.385 0 40 DDAB CCOc1cc(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)ccn1 225521313 HDZCTECOYXAZPW-ZDUSSCGKSA-N 314.389 1.933 0 40 DDAB Cc1nnc(NS(=O)(=O)c2cccc3nsnc23)s1 83955905 MDVOYFNIDOIGEP-UHFFFAOYSA-N 313.389 1.652 0 40 DDAB CN(C)C(=O)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 96042912 XCZKBXXYVNWXFG-YESZJQIVSA-N 302.418 1.797 0 40 DDAB C[C@@H](Cn1cncn1)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 96497181 BGVBGLSEVHRDJI-QWHCGFSZSA-N 309.414 1.656 0 40 DDAB COC[C@H]1CN(Cc2cccnc2OC)Cc2ncn(C)c21 96068371 VGTYMWFHKXDKQE-CYBMUJFWSA-N 302.378 1.570 0 40 DDAB C[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccco1 97102873 KLRNNERBGDAIJJ-GFCCVEGCSA-N 305.378 1.995 0 40 DDAB O=C(N1CCCC1)N1CCc2ncnc(NC3CC3)c2CC1 96255499 YWUYHAKEYHPTKT-UHFFFAOYSA-N 301.394 1.667 0 40 DDAB CCOC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)NCc1cccnc1 96082722 ZIERZGHKTACEPT-HRCADAONSA-N 319.405 1.807 0 40 DDAB Cn1cc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cn1 96048553 GMTRBYDZPCYKBM-JKSUJKDBSA-N 301.394 1.613 0 40 DDAB Cc1ccccc1C[C@H](CNC(=O)[C@]1(C)CCCO1)C(=O)O 95970673 OWOQSXSNOMZUJR-PBHICJAKSA-N 305.374 1.924 0 40 DDAB O=C(c1cnccn1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96157820 IKIAYBQYEFSRMH-UHFFFAOYSA-N 314.389 1.341 0 40 DDAB CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(CCOCc2ccccc2)C1 96041241 YUROVCDQHZIXIQ-GVDBMIGSSA-N 318.417 1.429 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccco3)C2)n1 96041221 HFRNWIBBYMTLDB-DMDPSCGWSA-N 303.318 1.758 0 40 DDAB O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[C@@H]1C1CCC1 96477422 ZAAJJKULWCYQOF-QWHCGFSZSA-N 300.424 1.538 0 40 DDAB Cc1c(Br)cccc1S(=O)(=O)NCCCN 97229297 CQXALVSGIBUVCP-UHFFFAOYSA-N 307.213 1.385 0 40 DDAB O=C(c1ccncc1F)N1CC2CC1(C(=O)N1CCCC1)C2 96252616 LJUBNSDPVCGHMT-UHFFFAOYSA-N 303.337 1.448 0 40 DDAB CN(C)C(=O)[C@@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 247958939 DSNTXMHWJRZDTD-GFCCVEGCSA-N 304.419 1.669 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)c1ccc3c(c1)OCO3)C2 247821307 DDKZIQMHVOIYNH-NSHDSACASA-N 307.371 1.762 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cccn3C)CCO2)ncn1 257310610 UFWNCROCUODJRQ-OAHLLOKOSA-N 314.389 1.597 0 40 DDAB CN1C(=O)C2(CCN(CC(=O)O)CC2)C[C@H]1Cc1ccccn1 257206779 BEWHHUJMBUPTOJ-CQSZACIVSA-N 317.389 1.022 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)CN2CCOCC2)ccn1 257223107 DVWUMFAXIGCCLM-CQSZACIVSA-N 304.394 1.119 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257333537 YBYPGWPZWKUKPJ-SNVBAGLBSA-N 305.407 1.919 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2c(C)noc2C)[C@H]1O 257227838 FRDSWERNYGUIBC-IIAWOOMASA-N 310.394 1.611 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)cc1F 257253633 JZRDLDYSKHYRIF-BPLDGKMQSA-N 311.353 1.883 0 40 DDAB CN(C)c1cncc(C2CCN(CC3(O)CCOCC3)CC2)n1 257344329 ZWSOQGATMAWLHX-UHFFFAOYSA-N 320.437 1.264 0 40 DDAB O=C(O)C[C@@H]1COCCN1C(=O)c1cccc([C@H]2CCOC2)c1 263374449 ZXOWTGCLTNXFSE-LSDHHAIUSA-N 319.357 1.506 0 40 DDAB O=C(c1cccnc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605624 LVUDERVZGXQLMJ-GFCCVEGCSA-N 304.737 1.819 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575405140 RGWNYKWUQMZTEH-AWEZNQCLSA-N 302.378 1.093 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccccn1)C2 585110826 LIGLCCOILIXLFU-CQSZACIVSA-N 311.389 1.147 0 40 DDAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3cc[nH]n3)C2)cc1 585269270 NVVMSSUPUNODSJ-KRWDZBQOSA-N 317.389 1.360 0 40 DDAB CC(C)(C)c1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1 69630357 BHGYVZVVAHJGFK-GFCCVEGCSA-N 304.398 1.871 0 40 DDAB NC(=O)c1ccc([C@H]2CN(Cc3ccc(F)cc3)CCO2)nc1 72388080 XOLXYRPFLUBTHC-MRXNPFEDSA-N 315.348 1.893 0 40 DDAB O=C1NCCCC[C@@H]1SCc1nnnn1-c1ccccc1 78555644 KCZYUQCODJWJAR-LBPRGKRZSA-N 303.391 1.564 0 40 DDAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCCC2)C1 95999791 IBTCHCBPJJUFLN-OAHLLOKOSA-N 322.430 1.717 0 40 DDAB CC(=O)Nc1ccc(SCC(=O)NCc2cccs2)nn1 11738786 NHOZAZIWCKAVNQ-UHFFFAOYSA-N 322.415 1.905 0 40 DDAB COc1ccc(C(=O)N2CCC(O)(c3nccn3C)CC2)cc1 12221768 SQHLHJFXKKCKJF-UHFFFAOYSA-N 315.373 1.553 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Br)c1 15223523 QEZKEHCEVBLRMB-USZNOCQGSA-N 320.142 1.892 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 16551520 POMRVPDSVPLFIJ-JLUCKKNBSA-N 317.341 1.778 0 40 DDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cccn2)c1 17056447 PZXBKFSDZCVWGF-FZKCQIBNSA-N 323.352 1.598 0 40 DDAB COc1cccc(C(=O)COC(=O)Cn2c(C)csc2=O)c1 17193298 ORGVQHHSVFDTDI-UHFFFAOYSA-N 321.354 1.653 0 40 DDAB COC(=O)CC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 165111470 XEKNZSXDHDITDX-ZDUSSCGKSA-N 305.330 1.920 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2F)s1 9855010 XSAZTMXREFXQFK-UHFFFAOYSA-N 314.363 1.465 0 40 DDAB COc1nc(OC)nc(N2CC[C@@H](Oc3ccncc3C)C2)n1 1889114110 IKQSDJXUBORSEE-LLVKDONJSA-N 317.349 1.250 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)[C@H]1CCCO1 27870212 KGQBLCNMHCRKCW-GXTWGEPZSA-N 318.373 1.486 0 40 DDAB COc1ccc(C(=O)NC[C@@H]2[C@@H](C)C[C@H]3NC(=O)C[C@H]32)cc1 1775964321 FOWMVJSPDICHOK-BSLXNSKLSA-N 302.374 1.586 0 40 DDAB biogenic,in-vitro O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccnc1 32247803 RSYYOIAOWWYHMQ-KRWDZBQOSA-N 311.385 1.712 0 40 DDAB COc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C 269409 LSMGNBUBKBGOJU-UHFFFAOYSA-N 303.343 1.985 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1ccccc1Cl)OCC 5184295 PYOVKXJNEHXENU-UHFFFAOYSA-N 314.769 1.794 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NC3CCC3)ncn2C1 2055714768 QNRJZUVHOCBSOU-LLVKDONJSA-N 304.394 1.252 0 40 DDAB Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2c3cccnc3sc21 2070433872 RFZYFWCGYCWCFZ-VIFPVBQESA-N 317.370 1.489 0 40 DDAB COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)O)n(C)c2c1 33578353 XUXQFRNOOXWRBX-QMMMGPOBSA-N 306.318 1.398 0 40 DDAB CCCS(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 48959235 XRERICYIGYNELA-UHFFFAOYSA-N 306.428 1.715 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)NCCc1nnc2ccccn12 40093239 VHQHPXWTBAHJCV-VIFPVBQESA-N 316.283 1.355 0 40 DDAB COc1cccc(CN(C)C(=O)c2nccnc2N)c1OC 30814482 VRZIUQXQXAHIKD-UHFFFAOYSA-N 302.334 1.348 0 40 DDAB Cn1c(O)c([C@H]2NCCc3ccccc32)c(=O)n(C)c1=S 20410416 SSYLBQSLKFFPHT-LBPRGKRZSA-N 303.387 1.394 0 40 DDAB biogenic O=C(c1cc(Cl)ccc1O)N1CCC(N2CCNC2=O)CC1 40555958 IGGIFLWMWSTHKD-UHFFFAOYSA-N 323.780 1.675 0 40 DDAB CC(C)CNC(=O)c1nn(-c2ccccc2Cl)nc1CO 21149009 HEBXNXOXTDQEJT-UHFFFAOYSA-N 308.769 1.799 0 40 DDAB CC1CCC(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 102636941 JZSFORHDZYQBES-NWINJMCUSA-N 304.390 1.633 0 40 DDAB C[C@H](NC(=O)C(C)(C)C)C(=O)NCCNC(=O)c1ccccc1 32908547 NHWCLEQHQHZSOR-LBPRGKRZSA-N 319.405 1.083 0 40 DDAB c1ccc2oc(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)nc2c1 32909003 HKUWAURADRQZPD-HIFRSBDPSA-N 317.389 1.977 0 40 DDAB CCCNC(=O)CN(C)C(=O)CN(C)[C@H]1CCc2ccccc21 29810746 AJQJFKXIQDGNTC-INIZCTEOSA-N 317.433 1.590 0 40 DDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C)C)C1=O 2636571 AWGGZIRICMWAFX-HNNXBMFYSA-N 323.780 1.585 0 40 DDAB CN(C)c1ncccc1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 76021222 NHYZGARQEDENNX-MCIONIFRSA-N 318.421 1.760 0 40 DDAB Cc1nc(-c2cccc(NC(=O)C(=O)NC3CCCC3)c2)n[nH]1 76018242 PPXQKOZCBFOFKH-UHFFFAOYSA-N 313.361 1.777 0 40 DDAB C[C@@H](c1ccccc1)N(C)C(=O)NCc1nnnn1C1CC1 76206362 BXJMKWFEGBLPCJ-NSHDSACASA-N 300.366 1.911 0 40 DDAB COC(=O)[C@H]1CON(Cc2ccccc2)[C@@H]1CC1(C)OCCO1 1607875 LAVQAPOQNOBNDN-LSDHHAIUSA-N 321.373 1.745 0 40 DDAB CC1CCN(C(=O)[C@H](C)N2CCn3c(nnc3C3CC3)C2)CC1 78787927 DOYXUCVUQCAGGR-ZDUSSCGKSA-N 317.437 1.618 0 40 DDAB CCOC(=O)NC(=O)CSc1nc2nc(C)cc(C)n2n1 3322751 MMYPVKCWWDOOOS-UHFFFAOYSA-N 309.351 1.106 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2cccc(N(C)C)c2)no1 3399927 QILDVXVNBKGWEP-UHFFFAOYSA-N 303.318 1.845 0 40 DDAB CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 23298070 GSKUCCLFJQRABR-UHFFFAOYSA-N 318.373 1.492 0 40 DDAB CCCCCc1ccc(NC(=O)C[C@H]2NC(=O)NC2=O)cc1 42868781 HIIMKMUSXNMDQL-CYBMUJFWSA-N 303.362 1.956 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cnc3onc(C)c3c2)CC1 43107547 ABXJHQZONFMRJZ-UHFFFAOYSA-N 302.334 1.226 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 24674870 LUMPMESTQJSKFO-NSHDSACASA-N 300.380 1.132 0 40 DDAB NC(=O)[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 55526974 FUMZTURHBXHAOX-CQSZACIVSA-N 322.361 1.472 0 40 DDAB COc1ccc(CCC(=O)N[C@@]2(C(=O)O)CCSC2)cc1 43503712 SOQOFEJADHREQF-HNNXBMFYSA-N 309.387 1.704 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)o1 56312651 DUKCIUUQBZEBCB-GFCCVEGCSA-N 320.370 1.904 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3sccc3C)CC2)n1 47693965 WXLGMERILCDMDP-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB C[C@H](NC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1 27338636 DFITXYXLKKXCDQ-ZDUSSCGKSA-N 300.362 1.975 0 40 DDAB NC(=O)c1cccc(Cn2c(-c3cccs3)noc2=O)c1 58180347 WSEOTUWYTADUMC-UHFFFAOYSA-N 301.327 1.712 0 40 DDAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 44893886 DOULHMGOYQKWOP-WCQYABFASA-N 311.403 1.697 0 40 DDAB c1nc(N[C@H]2C[C@H]3CC[C@@H]2O3)cc(N[C@@H]2C[C@@H]3CC[C@@H]2O3)n1 102290754 REYVTHJIPMOLLX-KTEZLCCFSA-N 302.378 1.940 0 40 DDAB CN(C)c1ncccc1CNC(=O)CCN1CCSC1=O 44935280 OVRFCRIGEQUINI-UHFFFAOYSA-N 308.407 1.323 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1F 44917676 VCMBTKTYNCKNNE-VIFPVBQESA-N 301.318 1.528 0 40 DDAB CC(C)c1nc(CC(=O)N[C@@H](C)CN2CCOCC2)cs1 44940567 GOKJTQXSTMXAAP-LBPRGKRZSA-N 311.451 1.646 0 40 DDAB COC(=O)c1cc(NC(=O)C2=NN(C)C(=O)CC2)cc(C)c1C 58323853 AKFVUIPJPKREOP-UHFFFAOYSA-N 317.345 1.637 0 40 DDAB Cc1ccoc1C(=O)N1CCC(NC(=O)c2ccc[nH]2)CC1 58433133 YBZRFPCFKKXRBX-UHFFFAOYSA-N 301.346 1.951 0 40 DDAB CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(N2CCCC2=O)cc1 58962947 PGGLHVGHPNASCT-INIZCTEOSA-N 316.401 1.993 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CCn1c(=O)oc2ccccc21 45447486 MURZUUAWKVCKHR-NWDGAFQWSA-N 304.346 1.620 0 40 DDAB Cc1cccnc1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 28841933 VEPDOXYTMMNSCH-UHFFFAOYSA-N 310.313 1.032 0 40 DDAB COc1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c(O)c1 48314909 LRMKFNGIUNESLT-AWEZNQCLSA-N 322.405 1.487 0 40 DDAB CCCN(CC(=O)NC)S(=O)(=O)c1cccc(Cl)c1F 48367149 GALXYMXMJQENHO-UHFFFAOYSA-N 322.789 1.626 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1Cc2ccccc2O1 48367394 SOUFVBTUUBOUDL-DZGCQCFKSA-N 319.405 1.010 0 40 DDAB Cc1ccc(CNC(=O)N2CCC[C@@H]2CO)c(N2CCCC2)n1 96500586 ROYXWZCXOAISDO-OAHLLOKOSA-N 318.421 1.657 0 40 DDAB Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1C1CC1 70739394 IXZPBEPINWZPKM-UHFFFAOYSA-N 305.422 1.232 0 40 DDAB Cc1nc(-c2cc(C(=O)NCC(=O)NC(C)C)n(C)c2)cs1 8883592 XETAEVUCITVQNI-UHFFFAOYSA-N 320.418 1.711 0 40 DDAB COc1ccccc1CNS(=O)(=O)c1ccc(C(=O)O)cc1 13076372 NGQXMRDIFSPHSA-UHFFFAOYSA-N 321.354 1.872 0 40 DDAB NC(=O)NCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 63783712 WRPVGWPRFJGLIR-UHFFFAOYSA-N 313.361 1.493 0 40 DDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C)C(=O)[C@]31C 4073788 WZFAIQRVFWYDKL-KRWDZBQOSA-N 313.357 1.248 0 40 DDAB biogenic COc1cccc(Nc2nc(NCCO)nc3c2cnn3C)c1 13555046 SSDFRORLCHDAQL-UHFFFAOYSA-N 314.349 1.520 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 71144912 FCWYWGKSXAWYRV-VIFPVBQESA-N 306.790 1.709 0 40 DDAB C[C@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)N(C)C 65440849 CVTKXNLFLRHZNF-CYBMUJFWSA-N 316.409 1.076 0 40 DDAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CN2CCOCC2)C1=O 14095280 QWMVQRXCVZOMKS-QGZVFWFLSA-N 317.389 1.442 0 40 DDAB NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 14098139 KGQDTISNIZDCHH-AWEZNQCLSA-N 304.371 1.333 0 40 DDAB C[C@H]1CN(C(=O)CCn2cnc3sccc3c2=O)C[C@H](C)O1 14049311 RXVQWQVQHKLBLU-QWRGUYRKSA-N 321.402 1.484 0 40 DDAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCCCC3)oc(C)c12 14159305 YMGKTJQHPVBZSK-UHFFFAOYSA-N 304.350 1.557 0 40 DDAB Cc1nc(NC(=O)CNC(=O)COc2ccccc2)sc1C 14251779 ITQAWXRVNYJFFD-UHFFFAOYSA-N 319.386 1.894 0 40 DDAB COc1ccnc(NCc2ccccc2S(=O)(=O)N(C)C)n1 22137867 RQIRBZUAYYBDLN-UHFFFAOYSA-N 322.390 1.348 0 40 DDAB O=C(Cn1c(CCCO)nc2ccccc21)NCc1ccco1 6650584 FVSVIVCULPRJNB-UHFFFAOYSA-N 313.357 1.871 0 40 DDAB O=S1(=O)C[C@@H]2N=C(S)N(c3ccc(Cl)c(F)c3)[C@H]2C1 6645633 KCTMITDFTJLJCY-UWVGGRQHSA-N 320.798 1.751 0 40 DDAB CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCOC1=O 14914167 ZCKSJZMYYRGUQV-NSHDSACASA-N 316.279 1.891 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NC2=O 4826468 VZKBLAYUGSULAS-SNVBAGLBSA-N 310.309 1.976 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(C)CC1 6916826 ALIMKLHNXWZTPT-UHFFFAOYSA-N 303.405 1.955 0 40 DDAB COc1cc2c(cc1CN1CCC[C@]3(CCNC3)C1)OCO2 67850962 SSCNTSKPLREFRU-QGZVFWFLSA-N 304.390 1.999 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)N1 7471068 LAYPOJNWRADDTF-GXSJLCMTSA-N 324.764 1.797 0 40 DDAB CC(C)N1CC[C@H](Nc2ccccc2CC(=O)N(C)C)C1=O 81154746 JGASGSXQCNIDTN-HNNXBMFYSA-N 303.406 1.739 0 40 DDAB C[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccncc1 81470912 WVHNNSXDYKDNSX-CABZTGNLSA-N 303.284 1.851 0 40 DDAB CN1CCN(c2ncc(S(N)(=O)=O)s2)Cc2ccccc21 68917830 SJZHADFBZFNJSC-UHFFFAOYSA-N 324.431 1.247 0 40 DDAB C[C@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C(C)(C)CO1 91216510 BMZOPFIYCXJJCB-JTQLQIEISA-N 304.346 1.771 0 40 DDAB CC(C)C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)O 8135452 DQJNAXKZLKNIPP-LLVKDONJSA-N 303.318 1.152 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)[C@@H]1CN 70177250 MSRYNILLOOGWCS-BXUZGUMPSA-N 300.399 1.715 0 40 DDAB COCCOc1ccccc1C(=O)NC[C@@H]1CCN(C2CC2)C1 69485753 RBLBIYRVRJYDMN-AWEZNQCLSA-N 318.417 1.926 0 40 DDAB Cc1cc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)on1 69459827 MHQSJHIMYPDRHE-GFCCVEGCSA-N 313.365 1.131 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 69418566 IGFANABXTGYSKE-KGLIPLIRSA-N 322.434 1.276 0 40 DDAB CNC(=O)c1cccnc1NCc1ccc(Cn2cncn2)cc1 96453320 QDBIABWTDBKIPY-UHFFFAOYSA-N 322.372 1.693 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCC(Nc2cccnn2)CC1 69658614 JUKPPWDKKBJLRW-GFCCVEGCSA-N 304.394 1.695 0 40 DDAB COc1ccc([C@H]2C[C@H]2C(=O)N2CCn3c(C)nnc3C2)cc1 69655110 RNQCOYFUPGDFNV-HUUCEWRRSA-N 312.373 1.741 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2nnnn2C2CC2)n1 69601565 AMQTXDBICCCUCB-AWEZNQCLSA-N 316.413 1.271 0 40 DDAB O=S(=O)(CCN1CCC[C@@H]1Cn1cccn1)c1ccccc1 69659127 HATKUGMNSMSMQG-OAHLLOKOSA-N 319.430 1.821 0 40 DDAB Cc1ccccc1C(=O)Nc1cnn(CCN2CCOCC2)c1 69740838 OLLJZSIOOCXLFV-UHFFFAOYSA-N 314.389 1.776 0 40 DDAB CS(=O)(=O)CCS[C@H]1CCN(c2ccccc2F)C1=O 78996049 GQUBJYGBTLBVMN-LBPRGKRZSA-N 317.407 1.709 0 40 DDAB O=C(COCC1CC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69968749 SNSOKXCZVILIKJ-QGZVFWFLSA-N 318.417 1.291 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCn3c(nnc3C3CC3)C2)on1 71880304 UIHQQNYDNWEZLL-SNVBAGLBSA-N 316.365 1.295 0 40 DDAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)C(=O)NCc1ccco1 71841203 ZVFWHLTYKNKCIJ-RISCZKNCSA-N 301.346 1.101 0 40 DDAB Cc1cccc(C2(C(=O)N3CCN(C[C@H](C)O)CC3)CCC2)c1 71871179 YJHSEMJIWSGEQY-INIZCTEOSA-N 316.445 1.942 0 40 DDAB Cc1nnnn1-c1cc(NC(=O)Nc2ccn(C)n2)ccc1F 97099386 NUDYNOJQIVCLQP-UHFFFAOYSA-N 316.300 1.487 0 40 DDAB CC(C)N1N=C(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CCC1=O 72273253 BQKXLFHOAGERDB-LBPRGKRZSA-N 317.393 1.503 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 72235517 PJYBRZZNIYYROG-HNNXBMFYSA-N 316.409 1.425 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)c3c(F)cccc3F)C2=O)cn1 72287341 BDXSZGRJBRHDDT-GFCCVEGCSA-N 320.299 1.234 0 40 DDAB CCc1ccc(N2CCN(C(=O)c3nnsc3N)CC2)cc1 97229020 FBUFGTICDKUPJX-UHFFFAOYSA-N 317.418 1.645 0 40 DDAB O=C1N=C(O)C[C@@H]1N(C(=O)COc1ccc(F)cc1F)C1CC1 97288660 JKVOCDOAXMNPFH-NSHDSACASA-N 324.283 1.590 0 40 DDAB Cc1noc(C)c1Cc1nnc2sc(-c3cnn(C)c3)nn12 72405176 QGUIWWOUVBGTPT-UHFFFAOYSA-N 315.362 1.782 0 40 DDAB CCc1nc([C@H](C)NCC(=O)N2C[C@H](C)O[C@H](C)C2)cs1 97374452 CPYIZSGMLOLFAD-TUAOUCFPSA-N 311.451 1.992 0 40 DDAB Cc1cc(C)n(-c2ccccc2NC(=O)NOCC(N)=O)n1 95460852 JHJHDMFGQNTJPV-UHFFFAOYSA-N 303.322 1.028 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c2cccnc12 95972934 UUDYGGGCQUAHTC-QWHCGFSZSA-N 318.398 1.759 0 40 DDAB C[C@H]1COC2(CCN(S(=O)(=O)CCC(C)(C)C)CC2)O1 95960665 NVKQVSLVOBPLHY-LBPRGKRZSA-N 305.440 1.980 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N1CCC[C@H](c2ccn[nH]2)C1 75582355 FAMUJHSXILCEFA-KBPBESRZSA-N 307.394 1.701 0 40 DDAB O=C(NC[C@]1(O)CCSC1)[C@H]1CCN(C2CCCCC2)C1 304702205 JTXKJBFRASCWTD-XJKSGUPXSA-N 312.479 1.625 0 40 DDAB O=C(c1ccccc1)c1c2ccccc2c2[nH]c(=O)[nH]c(=O)n12 32502281 VJNHCHXAJCQMPF-UHFFFAOYSA-N 305.293 1.700 0 40 DDAB NC[C@@H]1CCCc2ccc(C(=O)NCc3cc(N)ccn3)cc21 1552920428 AOWXKXMILXTGNE-AWEZNQCLSA-N 310.401 1.972 0 40 DDAB Cc1c([C@@H](C)NCC(C)(C)C(N)=O)cnn1-c1ccccn1 183637410 NEZKOGJRSAPJKV-LLVKDONJSA-N 301.394 1.738 0 40 DDAB CCc1nc(CNC(=O)c2cc(C)n([C@H]3CCOC3)c2C)n[nH]1 529431694 HFWBHSJSYQHFED-LBPRGKRZSA-N 317.393 1.677 0 40 DDAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccco2)cc1OC 72227066 FRSNDYLJWQTRKO-HUUCEWRRSA-N 302.330 1.708 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(COC)C(N)=S 218030326 YTHJRHNUFOVUBX-YRGRVCCFSA-N 313.444 1.506 0 40 DDAB Cc1cc(-n2ccnc2)nc([C@H]2CCCN2S(C)(=O)=O)n1 72360674 FMCYFUZYZCJNIY-LLVKDONJSA-N 307.379 1.067 0 40 DDAB Cc1ccc(CCCC(=O)N[C@@H](C)C(=O)N2CCOCC2)s1 79442288 USQKCKLOQYIXRW-ZDUSSCGKSA-N 324.446 1.743 0 40 DDAB CCCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 223291223 DXGNZJVKBUTOJH-UHFFFAOYSA-N 312.435 1.673 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c1 224239358 ZILNMXZTABRJQA-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB CC(C)(C)c1cc(NC(=O)NCCc2nnc3n2CCC3)no1 86285575 SZNUKNTZUXGHLK-UHFFFAOYSA-N 318.381 1.874 0 40 DDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCCS(=O)(=O)NCC1CCC1 195550675 CCMNLGNBYDHHHM-MCIONIFRSA-N 316.467 1.109 0 40 DDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1C 96413594 SVIRPHOSLCIHIS-BDJLRTHQSA-N 310.369 1.986 0 40 DDAB COCCCn1ccc(NC(=O)NCCCn2ccnc2)n1 96413442 XKPFIDLVVKBCKN-UHFFFAOYSA-N 306.370 1.328 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96206060 FHNISOVQHRCXHD-ZBFHGGJFSA-N 322.430 1.169 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)CCCS(=O)(=O)NC)C12CCCC2 96419677 ABPOWBMQNCFIDI-ZIAGYGMSSA-N 318.483 1.595 0 40 DDAB CCN1CCNC(=O)C12CCN(C(=O)c1ccccc1)CC2 96230418 MQTOMEMAJKMHDO-UHFFFAOYSA-N 301.390 1.113 0 40 DDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)Cc1csc(-c2ccoc2)n1 96486942 HDJPREMMNTYOSH-ZWNOBZJWSA-N 322.386 1.554 0 40 DDAB Cc1ccc(CNS(=O)(=O)CC2CCOCC2)cc1F 96427650 YCKXVGFAOIEIMM-UHFFFAOYSA-N 301.383 1.980 0 40 DDAB CSC[C@@H](C)C(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449814 DNEDWERGIBVJMC-SNVBAGLBSA-N 314.842 1.778 0 40 DDAB Cc1occc1C(=O)N1CCc2ncc(CN(C)C)n2CC1 96196791 UQYJZAMULCLGKJ-UHFFFAOYSA-N 302.378 1.545 0 40 DDAB C[C@@H]1C[C@@H]1NC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 96469898 MISBPLBNETWOBD-XLNGHYISSA-N 315.417 1.690 0 40 DDAB Cc1ccccc1-c1noc(=O)n1Cc1cc(=O)c(O)co1 96411911 QCJJCWDGECRUTH-UHFFFAOYSA-N 300.270 1.519 0 40 DDAB CN(CC(C)(CO)CO)C(=O)c1cn(C)nc1-c1cccs1 97236698 QTAZNFGZRVMTSP-UHFFFAOYSA-N 323.418 1.212 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12)NC1CC1 96040859 BMHPZKYDBZBFDB-FMKPAKJESA-N 304.390 1.643 0 40 DDAB O=C(O)CN1C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc21 96343465 QKBULOHTRSRXBQ-AWEZNQCLSA-N 324.336 1.459 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCO[C@H](c2nccs2)C1 97199811 KXINFSDZBGRYED-STQMWFEESA-N 303.387 1.743 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(F)cc1)CC2 96208618 AXJNUJZNUOGIAN-OAHLLOKOSA-N 306.381 1.800 0 40 DDAB CC[C@@](Br)(C(=O)c1cccc(N)c1)S(C)(=O)=O 96518676 SSDOAHIXOHEHBP-NSHDSACASA-N 320.208 1.997 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)cn1 96480796 YRRMDJQQKYXWCO-QWHCGFSZSA-N 309.435 1.985 0 40 DDAB COc1ccc(C(=O)N2CC3(C[C@H](OC)CCO3)C2)cc1F 248153442 XSSLMWYDYAPVOG-GFCCVEGCSA-N 309.337 1.854 0 40 DDAB CC(C)C[C@H](CN(C)C)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 249076972 LWXRJAFCNWTYIP-MJBXVCDLSA-N 303.472 1.281 0 40 DDAB O=C(c1cscn1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257298517 RMAWFZPHWXNMHL-GHMZBOCLSA-N 317.361 1.060 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 257201747 AIWYHTALTSCWRM-HNNXBMFYSA-N 324.384 1.761 0 40 DDAB O=C(CCc1ccc(F)cc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257342691 ZPTGRDQPAMNNGE-RDJZCZTQSA-N 307.365 1.901 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c23)[C@H]1O 257229234 FXHLWVHCSQLFJS-YRGRVCCFSA-N 319.361 1.450 0 40 DDAB C[C@@]12CC[C@@](C)(O1)[C@@H]1[C@@H]2[C@@]2(C)O[C@@]1(C)[C@H](C(=O)O)[C@H]2C(=O)O 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DDAB CO[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(C)s1 96104838 OCEJZQYUSQTLIJ-SECBINFHSA-N 309.347 1.487 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406501 XZOBRPBYNDOYAE-RDBSUJKOSA-N 302.374 1.876 0 40 DDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C3(F)CC3)C2)C1=O 585106923 LHRGXPNRWVEYHN-PBHICJAKSA-N 316.376 1.963 0 40 DDAB COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1ncccc1F 585276214 DSRSNHSQYWKTCB-INIZCTEOSA-N 309.385 1.680 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@@H](C)[C@@H](C)n1cccn1 104031157 UEFSKCJULICGEI-UZVJCRSISA-N 304.398 1.089 0 40 DDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCOC[C@H]3C3CC3)ccc21 89972145 VDQGCUKGGHYJEO-AWEZNQCLSA-N 301.346 1.118 0 40 DDAB Cn1cccc1[C@@H](O)CNC(=O)C(=O)NCCC1=CCCCC1 77101951 FJRAEBKGIKWAOU-HNNXBMFYSA-N 319.405 1.181 0 40 DDAB Cc1nc(CNC(=O)c2ccc(Br)s2)n[nH]1 78603805 SOAWBRNLQJAILN-UHFFFAOYSA-N 301.169 1.867 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CC3)n2)s1 12181634 GDWQBWMAPUSFCI-SECBINFHSA-N 318.402 1.702 0 40 DDAB CC(=O)Nc1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 14129304 SFDTVZFXTCIYBW-UHFFFAOYSA-N 319.405 1.486 0 40 DDAB COc1cccc(NC(=O)Cn2c(=O)n(C)c3ncccc32)c1 19289536 GZEKLAWFZXLMLW-UHFFFAOYSA-N 312.329 1.382 0 40 DDAB Oc1nc(-c2cnccn2)nc2c1CCN(Cc1ccccn1)C2 19401889 JTUYNISTFUZNJE-UHFFFAOYSA-N 320.356 1.593 0 40 DDAB COCCCNC(=O)CCNc1ncnc2sc(C)cc12 31868826 IJVYLIBGOSINDV-UHFFFAOYSA-N 308.407 1.954 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ncccc2C(F)(F)F)CCO1 1889068338 DLVHZCRCJQKXGD-NSHDSACASA-N 315.295 1.584 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@@]21C(=O)N1CCCC1 2056224918 GNVQPSQWUVVDFC-WBMJQRKESA-N 303.337 1.448 0 40 DDAB CC(C)N(C)CC(=O)N1Cc2c(CN(C)C)nn(C(C)C)c2C1 1565553618 AITYGCNATFJJFY-UHFFFAOYSA-N 321.469 1.708 0 40 DDAB COC(=O)[C@H]1[C@@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@]1(C)O 4385902 RSGFIMJQUXHBNS-GHJWDPDVSA-N 320.320 1.483 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941426 GUTKNNXYZDOJIP-AWEZNQCLSA-N 318.373 1.735 0 40 DDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C(C)C)C[C@H]3O2)cn1 2055729788 KVGKWCBZXIRTFU-NUEKZKHPSA-N 318.421 1.289 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCO[C@H](C)C3)ccc21 40477913 VXDOZYDNWGPKHK-LLVKDONJSA-N 315.373 1.586 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 32551666 IFUYOOMIQYIHAA-UHFFFAOYSA-N 323.374 1.012 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCC2CCCC2)o1 32827372 WHVKGUQTQZZALA-UHFFFAOYSA-N 314.407 1.840 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@@H]1CCCN(c2cnccn2)C1 29786236 WOYCCKOGTHHFBR-YOEHMKRZSA-N 303.391 1.221 0 40 DDAB CN(C)Cc1cccc(CNC(=O)CN2CCCCCC2=O)c1 46379601 FEWYIMWBVMACGG-UHFFFAOYSA-N 317.433 1.767 0 40 DDAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CNC 294041 YJKSPZOYJTULCH-UHFFFAOYSA-N 305.334 1.511 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3c(C)oc(C)c3C)CCO2)n1 76044744 CZCFTQJQCKFFFE-LBPRGKRZSA-N 304.350 1.845 0 40 DDAB CS(=O)(=O)CCn1ccc(NC(=O)CCc2ccco2)n1 78028750 WHCMLULIROUDAI-UHFFFAOYSA-N 311.363 1.092 0 40 DDAB COCCN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 78412471 KQSMCQDJLSVVNW-CYBMUJFWSA-N 300.717 1.893 0 40 DDAB CCCOc1ccc(C(=O)CCN[C@H](C(=O)O)[C@@H](C)O)cc1 2922103 DNLRCJVEDXZSRP-ABAIWWIYSA-N 309.362 1.472 0 40 DDAB Cn1cc(/C=C/C(=O)N2CCN(Cc3ccccn3)CC2)cn1 33237893 MVKPBUMDAHBWQL-AATRIKPKSA-N 311.389 1.173 0 40 DDAB CCOC(=O)CCN(C(C)=O)[C@@H](CCSC)C(=O)OCC 4683026 NTDAONOBHYSBRN-LBPRGKRZSA-N 319.423 1.473 0 40 DDAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)CC(=O)NC1CC1 7791881 AJKHCMKYKMBMDO-GFCCVEGCSA-N 321.396 1.083 0 40 DDAB COCCn1cc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cn1 46875661 GHHJKRYFYHWSFT-AWEZNQCLSA-N 316.361 1.655 0 40 DDAB Cc1csc(CNC(=O)c2ccnc(-n3cncn3)c2)n1 53792029 UNWCJXAGNFKCRE-UHFFFAOYSA-N 300.347 1.357 0 40 DDAB Cc1ccc(OCCN2C(=O)N[C@]3(CCSC3)C2=O)cc1 22719321 NIAJAAHRNUFICX-HNNXBMFYSA-N 306.387 1.801 0 40 DDAB Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)on1 22800914 BKEJKUYTHNMZPT-UHFFFAOYSA-N 314.389 1.739 0 40 DDAB O=C(O)c1cnc2[nH]c(COc3ccccc3Cl)nn2c1=O 100010402 CWPFECOSXXIILF-UHFFFAOYSA-N 320.692 1.348 0 40 DDAB O=C(Nc1nc[nH]n1)c1ccc(Cl)c(N2CCCC2=O)c1 23141839 QUSQYJOLCGVVRK-UHFFFAOYSA-N 305.725 1.837 0 40 DDAB CCOC(=O)C1CCN(C(=O)NC[C@H](C)Cn2cccn2)CC1 54576463 PWCYDJUAXUATQV-ZDUSSCGKSA-N 322.409 1.504 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@H]2CCN3CCCC[C@H]23)n1 47264358 MZBUCAUZQRJDOM-UONOGXRCSA-N 320.462 1.929 0 40 DDAB CCCN(CC(=O)NC)S(=O)(=O)c1c(C)cc(C)cc1C 25588746 ZOGJEBYHTYWWMT-UHFFFAOYSA-N 312.435 1.759 0 40 DDAB CCCNC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1 35294203 CNBWSMHDSACRAB-UHFFFAOYSA-N 304.394 1.362 0 40 DDAB O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2C(=O)[C@@H]3OC[C@H](O3)[C@H]12 101064440 PGHKUIMAONOIHP-MZODFIPJSA-N 323.142 1.818 0 40 DDAB O=c1ccnc(SCCCCSc2nccc(=O)[nH]2)[nH]1 1918369 KTTRPXIJCNXNHZ-UHFFFAOYSA-N 310.404 1.518 0 40 DDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nccs2)CC1 57942947 BTMKGHXIZURAFY-LBPRGKRZSA-N 308.451 1.712 0 40 DDAB CCC1(CC)NC(=O)N(C[C@H](O)CN2CCC(C)CC2)C1=O 58172920 VRBKTEKNSBMKAO-CYBMUJFWSA-N 311.426 1.190 0 40 DDAB Cc1nc(CNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)cs1 71920381 UXGOHYRJCKIPOM-UHFFFAOYSA-N 315.358 1.583 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cc(Cl)c3c(c2)OCO3)CC1 44870887 AJAWTBHVKUPHPK-UHFFFAOYSA-N 324.764 1.809 0 40 DDAB Cn1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)n1 44874721 VUILTRDLUOPETG-UHFFFAOYSA-N 319.365 1.003 0 40 DDAB c1ccc(OCCN2CCN(c3ncnc4nc[nH]c34)CC2)cc1 44915557 CHTVOKINXXBEMU-UHFFFAOYSA-N 324.388 1.554 0 40 DDAB COc1ccc(OCCN(C)C(=O)[C@H](C)n2cncn2)cc1 44908844 CDIGRGFHVBRTOP-LBPRGKRZSA-N 304.350 1.385 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCN(C2CCCC2)CC1 45085792 FRAQTLRSBMTGNN-UHFFFAOYSA-N 313.405 1.518 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)NCCc1nccn1C 58406341 WAJJEIVEZQVGLJ-UHFFFAOYSA-N 321.402 1.186 0 40 DDAB Cc1cnc(NC(=O)Cn2cnc3ccccc3c2=O)s1 3405985 WLFRKCAZCUCLEA-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB CNC(=O)[C@@H](C)SCc1cccc(S(=O)(=O)N(C)C)c1 48675088 FIFRETQHELGPBV-SNVBAGLBSA-N 316.448 1.305 0 40 DDAB CC[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1 9690486 MQXFTPMUYHZJSI-SECBINFHSA-N 304.379 1.545 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 4175154 YJFRWKBHTHRBMP-WVWOOGAGSA-N 319.313 1.297 0 40 DDAB Cc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1 5197004 SGULEIJQJIFZCZ-UHFFFAOYSA-N 309.322 1.217 0 40 DDAB CN1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 4354595 UDUJZSNYIWXTTQ-UHFFFAOYSA-N 312.352 1.706 0 40 DDAB CC(C)c1nnc2n1C[C@H](NC(=O)CCc1cnn(C)c1)CC2 65512234 LIHURVJSSUZRAC-CYBMUJFWSA-N 316.409 1.199 0 40 DDAB CCOc1cccc(C(=O)NC[C@@H]2CCN(CCOC)C2)c1 65588753 SBAIJQXRFZVHCA-AWEZNQCLSA-N 306.406 1.783 0 40 DDAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)NC(N)=O 6544009 JMIMOQAGTDHHNX-MRVPVSSYSA-N 306.347 1.336 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@H]1COCCO1 110619539 YKAJNUSRCQLFRP-SWLSCSKDSA-N 324.808 1.840 0 40 DDAB CC(C)c1noc(CS(=O)(=O)C[C@H](O)c2ccccc2)n1 66499707 MPNQIIHFHHSRQG-LBPRGKRZSA-N 310.375 1.841 0 40 DDAB CCN1C[C@@H](C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1=O 66693577 SZDHFQLNUQCRQV-DZGCQCFKSA-N 320.364 1.594 0 40 DDAB CN([C@H]1CCNC1)S(=O)(=O)c1ccccc1OC(F)(F)F 71310382 GKRPBRFCHTVJIL-VIFPVBQESA-N 324.324 1.568 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1Cl 71397322 GGNGXHXWFODRNV-SECBINFHSA-N 304.799 1.379 0 40 DDAB COc1ccc(COC(=O)CCCN2C(=O)CNC2=O)cc1F 7354173 RSJNTIIUFSTHES-UHFFFAOYSA-N 324.308 1.210 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2ccc(SC)c(OC)c2)C1=O 68775511 HFTLITPFIIFLDF-OAHLLOKOSA-N 324.402 1.874 0 40 DDAB O=C1CC[C@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)N1 81287431 WTPBITWEXGUJMA-GXTWGEPZSA-N 304.415 1.906 0 40 DDAB Cc1cc(NCCNC(=O)[C@H]2CCC[C@@H](C)C2)n2ncnc2n1 81459575 ZNOIYYMQMPGHOD-YPMHNXCESA-N 316.409 1.787 0 40 DDAB CCOCCCNC(=O)C1CCN(C(=O)c2ccco2)CC1 8246668 QJKISWRQAMQZSL-UHFFFAOYSA-N 308.378 1.675 0 40 DDAB CC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8327508 HHINJXDHAXJYFD-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB CCOCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 69527474 VJKIRTQLCSNEID-GFCCVEGCSA-N 312.391 1.176 0 40 DDAB CC[C@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 69508817 JYXCCFFINKNYLX-LBPRGKRZSA-N 305.378 1.658 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(S(N)(=O)=O)cc1 17851829 DRHUNQSXVGDWBY-YPMHNXCESA-N 308.403 1.868 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H](c1cc(C)sc1C)C(C)C 83609308 JIKMVMBBGKUQJM-CYBMUJFWSA-N 318.464 1.727 0 40 DDAB CN(C)c1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)nn1 69970752 ILHQYBWMBKMLFM-ZDUSSCGKSA-N 314.393 1.434 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1Cn1cccn1 69970117 VJXHAFRNOCSNBY-OAHLLOKOSA-N 315.421 1.857 0 40 DDAB COc1ccc(CC(=O)Nc2ccc(=O)n(C)c2)c(OC)c1 71820049 IKDLECWPCMEGAT-UHFFFAOYSA-N 302.330 1.584 0 40 DDAB CCn1c(CNC(=O)CCc2c(C)nn(C)c2C)n[nH]c1=S 71846982 FTNNSCWCLAVLIF-UHFFFAOYSA-N 322.438 1.560 0 40 DDAB C[C@H]1C[C@H](N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C(=O)O1 72289497 CEXUVMNGWBKIBO-RYUDHWBXSA-N 322.409 1.189 0 40 DDAB O=C(Cn1nnc2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 72230672 QXQCDLXURJUKKR-CQSZACIVSA-N 324.340 1.243 0 40 DDAB CCC(N)(CC)CNS(=O)(=O)c1ccc(OC)cc1C 97229433 ZTLPDKGHEMVRHI-UHFFFAOYSA-N 300.424 1.799 0 40 DDAB Cc1nc(NC(=O)[C@@H](C)N2CCn3ccnc3C2)sc1C 97201072 YFGRVMUMWKHPAP-SNVBAGLBSA-N 305.407 1.799 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)c(C)c1 97235112 GIOLPDCLULBGLG-CJNGLKHVSA-N 318.417 1.504 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cn1 84367620 NWMWOUHSGUTESY-OLZOCXBDSA-N 318.764 1.764 0 40 DDAB Cn1ncc(Cl)c1-c1nn2c(-c3cnccn3)nnc2s1 72405508 IBHHYNUEVZEFMQ-UHFFFAOYSA-N 318.753 1.697 0 40 DDAB O=C([C@@H]1SCCc2ccccc21)N1CCN(CCO)CC1 84582060 RHVJAICXKZWOLI-OAHLLOKOSA-N 306.431 1.154 0 40 DDAB CC(C)c1noc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 84631135 HZEGUOMSTQKRTH-OAHLLOKOSA-N 321.381 1.098 0 40 DDAB C[C@@H]1CCN(C)c2ccccc2N1CC(=O)N1CCOCC1 84700051 DLDADEIAXCJSJV-CQSZACIVSA-N 303.406 1.580 0 40 DDAB CCc1nncn1CCN[C@H](C)c1ccc2c(c1)OCCO2 95423458 YXDDSBSBVFCEOI-GFCCVEGCSA-N 302.378 1.963 0 40 DDAB Cc1ccccc1CCNC(=O)CN1C[C@@H]2CCC[C@H](C1)C2O 95960007 LHFHFVAIVQRRPG-JJTKIYQPSA-N 316.445 1.747 0 40 DDAB CCOC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 408597607 VKZXASHWMNYKFE-SNVBAGLBSA-N 316.379 1.568 0 40 DDAB COc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1F 74986489 CCVNCCDTUOPKOJ-UHFFFAOYSA-N 314.338 1.918 0 40 DDAB COCCN1CCC(CNC(=O)c2ccc3c(c2)COC3)CC1 89414429 NVMRBDQQLOARBG-UHFFFAOYSA-N 318.417 1.805 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccc(F)cc1 89904362 KKRNJIVNLKRRKE-RISCZKNCSA-N 306.341 1.444 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306137777 RGDSJSIWQJPXTO-CYBMUJFWSA-N 306.362 1.114 0 40 DDAB Cc1cc(-n2ccnc2)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72360670 YGFCGSUONCNBAM-LBPRGKRZSA-N 321.406 1.110 0 40 DDAB C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)NC(N)=O 32857854 TZFSQGOVACKURY-SECBINFHSA-N 306.391 1.874 0 40 DDAB CCN(C(=O)CN)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392882 ZYOSTONHJZEJPE-CQSZACIVSA-N 305.378 1.205 0 40 DDAB O=C(/C=C/CN1CCOCC1)N[C@@H]1CCCOc2ccccc21 521396261 DWOKPJFZUIOWOY-ILNGBFOMSA-N 316.401 1.905 0 40 DDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72237975 IZJRLFYTZIYKQP-JKSUJKDBSA-N 320.389 1.128 0 40 DDAB O=C(NCCN1CCOCC1)N[C@H](Cc1ccccc1)C1CC1 76944155 UARREGNVBUKPOX-QGZVFWFLSA-N 317.433 1.639 0 40 DDAB CC(=O)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 72361677 MDBHGSLLVKFDDS-UHFFFAOYSA-N 312.377 1.811 0 40 DDAB CC(C)N(C)CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 79121993 UALWIIVGYIQQLP-UHFFFAOYSA-N 321.396 1.450 0 40 DDAB CCNC1=NC(CN2CCOCC2)=N[C@@H]2SC(C)=C(C)[C@@H]12 70503726 AKSLLHLCAPHFJU-DZGCQCFKSA-N 308.451 1.722 0 40 DDAB CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1ncc(C=O)cn1 49468300 DVOVBKCUFPQBDU-UHFFFAOYSA-N 323.349 1.390 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226860472 QETGFOHCRQLHMF-UHFFFAOYSA-N 316.338 1.679 0 40 DDAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccoc2)C1 225495082 PVTSXOZOAGHANU-GFCCVEGCSA-N 303.318 1.762 0 40 DDAB CCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675351 RJPBRLOALSMPKS-UHFFFAOYSA-N 300.405 1.678 0 40 DDAB COc1ncccc1CCNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 574275673 PYFMLNZPWQTPCI-BYNSBNAKSA-N 315.373 1.228 0 40 DDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc3c(c1)OCO3)C2 225517003 KNBDJGFZTVGIHB-GFCCVEGCSA-N 313.357 1.868 0 40 DDAB O=C1NC[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)CCN12 85436129 HADAVHNZCRYHHH-NSHDSACASA-N 315.295 1.795 0 40 DDAB biogenic,in-vitro CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCCO 222975741 OOUJSFWXHNASMR-CYBMUJFWSA-N 322.405 1.321 0 40 DDAB Cn1cnnc1CNC(=O)c1cc(Oc2ccccc2)ccn1 96443651 RJONKBJVNFQILI-UHFFFAOYSA-N 309.329 1.932 0 40 DDAB CNC(=O)C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96220327 IMRSBNYSLNUVOL-WOSRLPQWSA-N 318.373 1.141 0 40 DDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(Cc1cnn(C)c1)C2 96219962 LOINRCARLPLBPA-MSOLQXFVSA-N 318.465 1.600 0 40 DDAB CC(C)[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCS1 96432264 HYRFDBHKLGLZIN-ZDUSSCGKSA-N 317.418 1.876 0 40 DDAB CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 96658928 IGEHBOJSJWZKJO-UHFFFAOYSA-N 319.386 1.543 0 40 DDAB COCC[C@@H](C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 96455050 SGJKIZBWRVQMRI-MNOVXSKESA-N 311.348 1.689 0 40 DDAB C[C@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1 91335572 LFFRGZVGGGIZNN-SWLSCSKDSA-N 323.462 1.469 0 40 DDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccoc4)C[C@H]23)CC1 96056257 RRQUDCAZBCAIBP-OKZBNKHCSA-N 319.449 1.364 0 40 DDAB COc1cc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)ccn1 96418209 OJDKRLVJTPVDSQ-AWEZNQCLSA-N 302.305 1.849 0 40 DDAB O=C(c1ccncc1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 96073271 UNAFQIQJXAZAMZ-MRXNPFEDSA-N 315.417 1.941 0 40 DDAB Cc1cc(C)cc(C[C@H](C)NC(=O)CCN2C(=O)CCC2=O)c1 96425918 HIJAEZJLMUJUOG-AWEZNQCLSA-N 316.401 1.890 0 40 DDAB COC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)C(C)(C)C 95413979 YQLRZIRYVHXGKZ-DTWKUNHWSA-N 310.316 1.327 0 40 DDAB Cn1ccnc1[C@H]1CCN(C[C@H](O)COc2ccccc2)C1 536068108 QKEHZTXZHVWJDS-GJZGRUSLSA-N 301.390 1.649 0 40 DDAB Cc1cccc(S(=O)(=O)NC[C@@H]2CCCNC2)c1Cl 97234974 IPPGXIJAFGXTFD-LLVKDONJSA-N 302.827 1.926 0 40 DDAB Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccccn1 96038572 OYKINQLXDCGYQC-HOTGVXAUSA-N 312.373 1.867 0 40 DDAB COCCN1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 247907964 XMFITNAHAOLRIU-SJORKVTESA-N 306.406 1.978 0 40 DDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1)C2 529346926 GKPCJZDCZDDJRW-GEVFPVNKSA-N 317.433 1.449 0 40 DDAB O=C(C1CC1)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257261327 LGTVSBLJJMOZFL-QGZVFWFLSA-N 315.417 1.987 0 40 DDAB CCOCC(=O)N1CCC[C@H]1c1ccnc(CNC(C)=O)c1 257205290 AYKFQNYJJWCRIN-HNNXBMFYSA-N 305.378 1.418 0 40 DDAB C[C@@H]1COCCN1CCN1CCNC(=O)[C@@H]1c1ccccc1F 252549090 QTURYGFRCPZGET-CJNGLKHVSA-N 321.396 1.019 0 40 DDAB CC(=O)N1CCC(N2CCO[C@H](c3cnc(C)cn3)C2)CC1 257227605 FQBNIKRYFPANNG-INIZCTEOSA-N 304.394 1.169 0 40 DDAB O=C(CCOc1ccccc1)N1CCO[C@@H](c2cnccn2)C1 257213370 CHGKQHWKQYQFLB-MRXNPFEDSA-N 313.357 1.846 0 40 DDAB CN(C)C(=O)OCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 253370031 LDMYZMJSKQUXFZ-RISCZKNCSA-N 314.332 1.771 0 40 DDAB COCCN1CCOCC2(CC(Cc3nc(N)ncc3F)C2)C1 257310757 UGKLEGPHPNBIKW-UHFFFAOYSA-N 324.400 1.115 0 40 DDAB O=C(C1CC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178445 YNZQCFFDVBAJDH-UHFFFAOYSA-N 302.374 1.512 0 40 DDAB Cc1cc(C(=O)N(C)CCN(C)C)nc([C@H]2CCCN2C)n1 257271349 MXYGFGXFTARKFT-CQSZACIVSA-N 305.426 1.185 0 40 DDAB COc1ccccc1-n1nc(C(=O)O)c(N2CCCCC2)n1 256047501 MUGRBSVORITWMR-UHFFFAOYSA-N 302.334 1.964 0 40 DDAB Cc1n[nH]cc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 257341245 ZJNGALYCFFQXCO-NSHDSACASA-N 321.406 1.314 0 40 DDAB O=C(c1cc2n(n1)CCCO2)N1CCN(c2ccccn2)CC1 85555247 LVHQAJLRLNUMPC-UHFFFAOYSA-N 313.361 1.023 0 40 DDAB Cn1c(=O)n(CCCN2C(=O)NC(C)(C)C2=O)c2ccccc21 270232972 IRRIDIDOSFHFIU-UHFFFAOYSA-N 316.361 1.061 0 40 DDAB O=C(O)CCCN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 575422267 UJRKWBLATIQBPM-AWEZNQCLSA-N 311.403 1.541 0 40 DDAB O=S(=O)(NCC[C@@H]1CN(C2CCC2)Cc2ccnn21)C1CC1 585112171 KGOCKMDFYFCYCM-CQSZACIVSA-N 324.450 1.264 0 40 DDAB CN(C)C(=O)NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 585111762 BGZQBQHSKJXMOW-CYBMUJFWSA-N 317.393 1.694 0 40 DDAB OC[C@]1(Cc2cccc(F)c2)CN(Cc2cc[nH]n2)CCO1 585275231 AVHNCJGHDAQNQR-INIZCTEOSA-N 305.353 1.355 0 40 DDAB O=C(c1cc2ccccc2[nH]c1=O)N1CCN2CCCC[C@@H]2C1 71839848 UVMAKDGIASBVFJ-CQSZACIVSA-N 311.385 1.838 0 40 DDAB O=C(NC1CCCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 53955478 AZZQDHRSDVAUBX-OAHLLOKOSA-N 323.437 1.742 0 40 DDAB c1cc2nnnn2nc1N1CCC[C@@H](CN2CCCCCC2)C1 89794300 AGVLFMGGBREXCD-AWEZNQCLSA-N 315.425 1.612 0 40 DDAB CC(C)S(=O)(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 85467277 MQLRRYFIGTUOAI-GFCCVEGCSA-N 318.464 1.137 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)C1 96365012 VHGBRUJINPKHPO-GFCCVEGCSA-N 317.407 1.563 0 40 DDAB COCCn1c(Cc2ccccc2)nnc1SCC(N)=O 5861264 JGNCSPXPYJNTHE-UHFFFAOYSA-N 306.391 1.093 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nc(-c3cccnc3)oc2=O)C1 12115873 JHOMLIQIGIYTNF-VXGBXAGGSA-N 316.361 1.403 0 40 DDAB O=C1NC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21 12185671 LUGJWVNAMQLFHK-UHFFFAOYSA-N 323.352 1.836 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(OC)c1 13119548 MFNGQGUIVNUSNV-UNJBNNCHSA-N 321.329 1.521 0 40 DDAB O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(Cc2ccncc2)C1 15674044 IPDFVSQUOSEPKS-OCCSQVGLSA-N 324.344 1.230 0 40 DDAB biogenic,in-vitro O=C1c2ccccc2[C@H](O)N1CCN1C(=O)c2ccccc2[C@H]1O 18156233 WCJFLPQXCFNBSY-WOVMCDHWSA-N 324.336 1.280 0 40 DDAB CCc1ncnc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)c1F 1888834246 KEOGPWYHCQHMEZ-CYBMUJFWSA-N 322.384 1.396 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888856884 UWOPLGIFHFPOFS-GHMZBOCLSA-N 301.375 1.142 0 40 DDAB Cn1ccc(CN2CC[C@@H]3CN(c4ccccn4)C[C@H]32)cc1=O 1889078090 KEHCLVGDFRZSBA-HZPDHXFCSA-N 310.401 1.491 0 40 DDAB CCN=c1nc(N2CCN(c3nccnc3C)CC2)cc(C)[nH]1 1889090979 MBCCKJYVYDUYPT-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB Cn1ncc2c(N3CCN(Cc4ccccc4)C(=O)C3)ncnc21 1889149029 CTWOKUVXHMECOI-UHFFFAOYSA-N 322.372 1.212 0 40 DDAB CCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840882 UWLSGWZIFUHCQJ-MRXNPFEDSA-N 306.337 1.570 0 40 DDAB CC1CC(C(=O)N2C[C@@H]3C[C@@H](C(=O)NCC4CC4)N(C)[C@@H]3C2)C1 1565547201 ORIGJFBLYMAVPH-JBFQPRDMSA-N 319.449 1.090 0 40 DDAB COc1ccc(Cc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 4626391 FZHYZMXVTFYPRX-UHFFFAOYSA-N 315.373 1.514 0 40 DDAB CNC(=O)Cn1c(CO)cnc1SCc1cccc(C)c1 9827368 MOWPSLGJPPWAQI-UHFFFAOYSA-N 305.403 1.722 0 40 DDAB O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc2c(c1)OCO2 10220527 XNNMFNHACPCQMT-GFCCVEGCSA-N 305.330 1.831 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(F)cc1 10332659 FGJODSUWKUNOJN-HNNXBMFYSA-N 321.396 1.603 0 40 DDAB COCCn1/c(=N/C(=O)C2=COCCO2)sc2ccccc21 100872487 AUCMVMWELHSBAC-NXVVXOECSA-N 320.370 1.665 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3ccnc(C4CC4)n3)C2)nc1 2086884347 FQJROMHQIQTFAW-GFCCVEGCSA-N 313.361 1.810 0 40 DDAB Cn1nc(C(=O)NCc2cncc(-c3ccco3)c2)ccc1=O 575618119 IMHQDMZTLWVYEQ-UHFFFAOYSA-N 310.313 1.365 0 40 DDAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)[C@@H]1CCOC1 245108434 SXALNIRWKJFKEO-ABAIWWIYSA-N 307.371 1.730 0 40 DDAB COc1ccc(CNCCS(=O)(=O)NC(C)C)cc1OC 216759238 YUTJDDZYFWPLKU-UHFFFAOYSA-N 316.423 1.121 0 40 DDAB CCNC(=O)NC(=O)CN(C)CCCOc1ccc(F)cc1 30267581 XMMHFUJIQKWYQC-UHFFFAOYSA-N 311.357 1.372 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c(OC)c1 30871882 XZUVJEQILMGKRR-CYBMUJFWSA-N 306.362 1.397 0 40 DDAB COc1ccc(CNC(=O)c2nc3ccccc3c(=O)n2C)cc1 20745480 XAKSAYNZYRSBAZ-UHFFFAOYSA-N 323.352 1.872 0 40 DDAB Cc1nc(CSCCC(=O)NCC(=O)NC(C)C)cs1 32414980 BNXVYUZGYITUBW-UHFFFAOYSA-N 315.464 1.716 0 40 DDAB O=C1NCCN1C1CCN(Cc2nc(-c3ccco3)no2)CC1 52214925 LGDWFNQTQAZPRN-UHFFFAOYSA-N 317.349 1.319 0 40 DDAB C[C@@H]1C(=O)NCCN1Cc1ccc(Br)cc1F 60377326 UNDBQNPWFVQZQF-MRVPVSSYSA-N 301.159 1.909 0 40 DDAB COc1ccc(NC(=O)N2CCC(C(N)=O)CC2)cc1OC 390408 KYYHYKCBKSSQTA-UHFFFAOYSA-N 307.350 1.433 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](Cn3cncn3)C2)on1 69652431 MWJRJLOVAAJAQM-OLZOCXBDSA-N 318.381 1.314 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)n1 76045538 NLFNKXVWDPGNNV-ILXRZTDVSA-N 312.373 1.817 0 40 DDAB COCc1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 77991529 NOLMVZYENNTRGQ-CYBMUJFWSA-N 303.280 1.972 0 40 DDAB C[C@H](NC(=O)c1cc[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 78153088 VGQDZNSCFCJIHO-BBRMVZONSA-N 314.389 1.429 0 40 DDAB COc1ccc(CCn2cnc3snnc3c2=O)cc1OC 1417099 USXLTMPOKQPAHO-UHFFFAOYSA-N 318.358 1.508 0 40 DDAB CCCn1nc2c(cc1=O)CN(c1ncnc3[nH]ccc13)CC2 78931389 RHYROWVCCDXBPU-UHFFFAOYSA-N 310.361 1.487 0 40 DDAB Ic1ncnc2c1ncn2[C@@H]1CCCO1 2045341 RYQICVCDORWEBG-LURJTMIESA-N 316.102 1.740 0 40 DDAB O=C(COC(=O)Cn1cnc2ccccc21)NCc1ccccc1 3306113 HNCFGTGCWXDTEN-UHFFFAOYSA-N 323.352 1.896 0 40 DDAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6415585 YBKMWJGWWQEDGR-QWRGUYRKSA-N 316.398 1.797 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(F)cc1)CS2 7345439 QXIWHECIEGLROK-WFASDCNBSA-N 308.378 1.896 0 40 DDAB CC(C)CNC(=O)COC(=O)CCn1c(=O)oc2ccccc21 7620994 AOFHWSAZUGYICC-UHFFFAOYSA-N 320.345 1.300 0 40 DDAB CCN(Cc1ccco1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 42324746 OOPBSLMELNDFSZ-NSHDSACASA-N 300.380 1.246 0 40 DDAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 8500065 XSEMDNMINMNUOL-CYBMUJFWSA-N 304.390 1.795 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 69778534 UCLLCCFVUHIRFQ-CQSZACIVSA-N 324.388 1.800 0 40 DDAB Cn1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)n1 55315614 QSKFDUQMNOHIMU-LBPRGKRZSA-N 316.386 1.574 0 40 DDAB CC(C)n1cnnc1SCC(=O)NCCc1ccccn1 47445083 ZSFQUWFVZJDVGG-UHFFFAOYSA-N 305.407 1.705 0 40 DDAB O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccncc1 12552513 DOVSBYKFDIJMFF-UHFFFAOYSA-N 310.313 1.215 0 40 DDAB CN(C)CCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 22791913 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CC(C)CS(=O)(=O)CC(=O)NC[C@@H]1Cc2ccccc2O1 48188221 USNNKPGJEMEVGT-ZDUSSCGKSA-N 311.403 1.177 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 48152177 MICLMZUBKXWSPF-VXGBXAGGSA-N 321.402 1.148 0 40 DDAB O=C(NC1CCN(C(=O)c2ccccc2F)CC1)N1CCC1 45738238 IJQRWQRJEINPGH-UHFFFAOYSA-N 305.353 1.846 0 40 DDAB C[C@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C(=O)O)CC1=O 48265698 BQYUCPIHNCPPQJ-SKDRFNHKSA-N 302.330 1.565 0 40 DDAB CN(C)c1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1 3321921 BMCNIAWCASKQCO-UHFFFAOYSA-N 304.268 1.588 0 40 DDAB CN1CCN(c2cc(CNC(=O)[C@H]3CC=CCC3)ccn2)CC1 48330595 ONGQKTFGQXAGCU-INIZCTEOSA-N 314.433 1.806 0 40 DDAB COc1cc(CNS(C)(=O)=O)ccc1OC[C@@H]1CCCO1 48374100 WNHAUXRZZPJPOH-LBPRGKRZSA-N 315.391 1.302 0 40 DDAB Cn1cc(C(=O)OCC(=O)N2CCSc3ccccc32)cn1 12851645 UDQUEPBNEIWRSM-UHFFFAOYSA-N 317.370 1.716 0 40 DDAB COc1ccc(-c2nc(CNC(=O)c3cc(C)no3)n[nH]2)cc1 69811261 VACNDRPLJKLBMS-UHFFFAOYSA-N 313.317 1.707 0 40 DDAB CCCn1nnnc1CSc1nnc(N(C)C)n1C(C)C 71799804 DDUJVBSZJUQDIP-UHFFFAOYSA-N 310.431 1.614 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 39547155 KUWSWMGJTKMLGG-LBPRGKRZSA-N 307.394 1.500 0 40 DDAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCO1 64973610 RQUOBVSUGSSNIZ-AWEZNQCLSA-N 309.337 1.896 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 6332490 POUHLCQEYWVCGW-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB CCS(=O)(=O)NC1CCC(C(=O)N2CCSCC2)CC1 65586102 DFYGGQHXHWCBNM-UHFFFAOYSA-N 320.480 1.060 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)N3CCO[C@H](C)C3)cnc12 14167392 XFIREQIQPBZMCX-CYBMUJFWSA-N 315.373 1.342 0 40 DDAB COc1ccc(C[C@@H](C)N(C)C(=O)[C@@H]2CCC(=O)NC2)cc1 65625910 QHNRFVCFEYCGSZ-TZMCWYRMSA-N 304.390 1.611 0 40 DDAB COc1ccc(C2(C)N3CC4(C)CN2CC(C)(C3)C4O)cc1 19331564 WSBXAJNKFATVHA-UHFFFAOYSA-N 302.418 1.886 0 40 DDAB biogenic CC[C@@H](C)N(C)CCNC(=O)c1cccnc1OCCOC 66124597 CZLVLIIIFYYAQD-CYBMUJFWSA-N 309.410 1.567 0 40 DDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccccc1F 6623495 NYAXYCHZKLFQEM-UHFFFAOYSA-N 319.321 1.602 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=O)N1 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O=C1O[C@H](C(=O)NCc2nnc3ccccn23)Cc2ccccc21 8312568 LBXHHPAGLGKIKT-ZDUSSCGKSA-N 322.324 1.127 0 40 DDAB CCn1nccc1C(=O)Nc1cnn(COCC(F)(F)F)c1 17054154 TZLFSZSUKMZBSL-UHFFFAOYSA-N 317.271 1.888 0 40 DDAB COc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)N1CCOCC1 69529369 HEUIYPDOELWKQN-KBPBESRZSA-N 306.406 1.902 0 40 DDAB Clc1snnc1CSc1nnnn1C1CCOCC1 69580556 WNBQPDVSNZMSJW-UHFFFAOYSA-N 318.815 1.822 0 40 DDAB CC(C)(C)C1CCC(C(=O)N2CCCN(CC(N)=O)CC2)CC1 71829378 QNBPRRPHIQZUNQ-UHFFFAOYSA-N 323.481 1.859 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1COc3ccccc3O1)C2 97199075 IFKIIJBXSGUSEK-SWLSCSKDSA-N 313.357 1.463 0 40 DDAB CCc1nc(C(=O)NCC(=O)NCc2ccc(OC)cc2)c[nH]1 72312760 SPPVWLQPGUIRON-UHFFFAOYSA-N 316.361 1.027 0 40 DDAB COc1ccc([C@H](NC(=O)[C@@H]2CCC(=O)N2)C(F)(F)F)cc1 97080013 FOPSWMVDHQZVIY-JQWIXIFHSA-N 316.279 1.693 0 40 DDAB Cn1cc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)cn1 97012808 OFMCKOGXKLTWRO-LLVKDONJSA-N 313.404 1.244 0 40 DDAB Cc1noc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)n1 95392589 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Cc1ccsc1CNC(=O)NCCc1nnc2n1CCC2 89702047 MQZVYNLQMBACBI-UHFFFAOYSA-N 305.407 1.636 0 40 DDAB CCN(CCNC(=O)NCc1nnc2n1CCCCC2)C1CC1 89969211 QIHFQYBJDHSEKA-UHFFFAOYSA-N 320.441 1.288 0 40 DDAB CC(C)c1ccc(OCCC(=O)N2CCN(CCO)CC2)cc1 75604912 PZWBGMTUUXZVHL-UHFFFAOYSA-N 320.433 1.715 0 40 DDAB COc1ccc(CCC(=O)O)cc1S(=O)(=O)NC(C)C 32185977 KFJNHJYNNOXEOG-UHFFFAOYSA-N 301.364 1.399 0 40 DDAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218569113 ICNAIGMPSMZXNG-HRCADAONSA-N 321.373 1.455 0 40 DDAB Cn1cnc([C@@H]2CN(C(=O)NC3CCC4(CC3)CC4)C[C@H]2N)c1 1553479196 MIBZZUSRVAZUHU-ZIAGYGMSSA-N 317.437 1.579 0 40 DDAB Cc1nc(N2CCN(C=O)CC2)ccc1[C@H](N)c1ccccc1 72224734 TZCRMQIDFLJBJH-GOSISDBHSA-N 310.401 1.717 0 40 DDAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCN1CCOCC1 30851690 XJOHMPJAAJDJKJ-MRXNPFEDSA-N 320.433 1.909 0 40 DDAB Cc1cc(=O)[nH]c(C2CCN(C(=O)c3cscn3)CC2)n1 72364190 FLTDEFZMHPVUHV-UHFFFAOYSA-N 304.375 1.555 0 40 DDAB CC(=O)Nc1cccc(CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1 75770686 CZKMUVDXRNDPBX-DYVFJYSZSA-N 315.417 1.945 0 40 DDAB Cc1cc(CCC(=O)N2CCCC2)nc([C@@H]2CCCNC2)n1 72366414 LNZHCAHXJOPGAE-CQSZACIVSA-N 302.422 1.807 0 40 DDAB Cc1cc(C[C@H]2COCCN(C(=O)c3cscn3)C2)ncn1 72388319 DMFFKZSKZIDRHA-GFCCVEGCSA-N 318.402 1.573 0 40 DDAB Cc1cccc(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 185488328 CQXHUPIEDLXLFT-INIZCTEOSA-N 318.465 1.820 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)N1 44894566 RIIJVOUFVUGWKI-GRYCIOLGSA-N 305.378 1.013 0 40 DDAB Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c(F)cc1F 84674363 GLCLCENXNQPYGF-LLVKDONJSA-N 318.389 1.845 0 40 DDAB COC[C@@H](C)NC(=O)CNC1(c2nc(C)cs2)CCCC1 83215968 TZMGDTASUCBFLO-LLVKDONJSA-N 311.451 1.962 0 40 DDAB COc1cccc(CN2CCC(C(=O)NC(C)(C)CO)CC2)c1 199419470 GHRQHPGXFFMLGF-UHFFFAOYSA-N 320.433 1.794 0 40 DDAB COc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1 49404512 DUQVXOMICQVCAS-UHFFFAOYSA-N 313.357 1.769 0 40 DDAB O=S(=O)(Cc1nc(-c2cccs2)n[nH]1)c1nccs1 195028749 WTCZHBFQDZLSJZ-UHFFFAOYSA-N 312.401 1.964 0 40 DDAB CCNC(=O)N1CCN2C(=O)N(Cc3ccc(C)cc3)C[C@H]2C1 85436118 OWVYPHHFGZBOBO-OAHLLOKOSA-N 316.405 1.646 0 40 DDAB biogenic,in-vitro COc1ccc(-n2cc(CNC(=O)c3cscn3)nn2)cc1 96461603 FPVIPACZRCJOPB-UHFFFAOYSA-N 315.358 1.662 0 40 DDAB O=C(c1cccnc1)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 96159528 JDEHIJYDEHUIEW-SFHVURJKSA-N 322.368 1.746 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 96412754 NFNIZQBCLLEPDE-WFBYXXMGSA-N 310.781 1.811 0 40 DDAB C[C@@H](C(=O)NCCC(=O)Nc1ccncc1)N1CCCCCC1 96436274 OMEABTANNBZZMF-AWEZNQCLSA-N 318.421 1.791 0 40 DDAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2ccn(C)n2)C1 96193060 BVXXWEAPZWJVES-MRXNPFEDSA-N 314.345 1.951 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1ccccc1)OCC2 96044316 QLLNARXJFXZVMQ-HNNXBMFYSA-N 315.373 1.573 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1cnc[nH]1 96459390 YTIFTAFBCQTURN-UHFFFAOYSA-N 306.410 1.422 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CC[C@H](OC)[C@H]2OCC[C@@H]21 96215862 XLZHTPJVTBLGJV-ZQIUZPCESA-N 323.364 1.782 0 40 DDAB Cn1cc([C@](C)(O)CNc2ncc(Br)cn2)cn1 96421021 MCJJNGFPIVVVDF-LLVKDONJSA-N 312.171 1.292 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2OC[C@H](C(=O)N(C)C)C[C@@H]2C1 96065996 XBGQLWAZVLSWSM-FMKPAKJESA-N 321.421 1.607 0 40 DDAB C[C@@H]1COCCN1c1ccc(NC(=O)Cn2cccn2)cc1 96414140 VHBYNKQKSYKHSA-CYBMUJFWSA-N 300.362 1.747 0 40 DDAB C[C@@H]1SCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@H]1C 96411142 VPHSVPHCDJOALA-SGMGOOAPSA-N 310.463 1.987 0 40 DDAB CCO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(OC)cc1)C2 247930797 SCGASPFGFHRCPW-NILFDRSVSA-N 311.403 1.883 0 40 DDAB Cc1nc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)sc1C 243462187 NHTHVBJQQTZXPM-MRVPVSSYSA-N 305.450 1.233 0 40 DDAB Nc1cnc(C[C@@H]2CCCN(C(=O)c3ccccn3)CC2)cn1 257328991 XHYHDIYGIAUWDU-CYBMUJFWSA-N 311.389 1.939 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cc(C(F)(F)F)ncn2)C1 257262534 LLUGRXZABBJKID-QMMMGPOBSA-N 309.313 1.634 0 40 DDAB CN1CCN(Cc2ccc(F)cc2F)C[C@H](C(=O)N(C)C)C1 257267942 MJNMSMORYWBKRK-CYBMUJFWSA-N 311.376 1.417 0 40 DDAB CC(=O)N1CC[C@H](Cc2nccnc2-c2c(C)nn(C)c2C)C1 257231020 GEWPAPUYHVZXFK-CQSZACIVSA-N 313.405 1.905 0 40 DDAB Cc1ncc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cn1 257241976 IALZQMIGQOCWPK-UHFFFAOYSA-N 321.384 1.986 0 40 DDAB O=C(Cc1cccnc1)N1CCC2(CC(Nc3ccncn3)C2)C1 257255108 KGDJUILVXNXJAV-UHFFFAOYSA-N 323.400 1.907 0 40 DDAB CN(CCNC(=O)N[C@H]1CCCC[C@H]1O)Cc1ccc(F)cc1 252581587 AXZSJIIRFKVHDG-JKSUJKDBSA-N 323.412 1.860 0 40 DDAB O=C(c1ccc(F)cc1O)N1CCC[C@H](n2cc(CO)nn2)C1 293888767 GHFGYHBSLFLXAM-LBPRGKRZSA-N 320.324 1.092 0 40 DDAB CN1Cc2ccnn2CC[C@H]1CNS(=O)(=O)c1ccccc1 585097407 LGNUCRKZIYLIJF-ZDUSSCGKSA-N 320.418 1.066 0 40 DDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc2[nH]ccc2c1 585295194 PFQXTSVLOMJJFD-TWMKSMIVSA-N 304.390 1.091 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)[C@H]1C[C@@H]1C)CC2 585096504 RAUYHYYFFQKGTP-SRVKXCTJSA-N 304.394 1.581 0 40 DDAB CCN(CC)CCN(Cc1ccccc1)C(=O)CN(C)C(C)=O 69512231 UAKQVFWYRSYADD-UHFFFAOYSA-N 319.449 1.835 0 40 DDAB CCOC(=O)CNC(=O)N(CC)C[C@H]1COc2ccccc2O1 46704998 LNGILYTYRUNWRG-LBPRGKRZSA-N 322.361 1.421 0 40 DDAB CCc1nc(CN2CCN(C(=O)c3cnc(C)s3)CC2)no1 78596484 IDTGFEKPHZHQSJ-UHFFFAOYSA-N 321.406 1.355 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1occc1C 78754837 YVJKDMJGSCPJKI-MRXNPFEDSA-N 313.357 1.925 0 40 DDAB O=S(=O)(O)C/C(=C\c1ccccc1)c1cc[n+](CCO)cc1 2145838 HFBARPFDICHIIW-FOWTUZBSSA-O 320.390 1.395 0 40 DDAB COC(=O)N1C=C[C@H]2ON=C(S(=O)(=O)c3ccccc3)[C@@H]2C1 5760480 LMVFITDZDJFDCX-VXGBXAGGSA-N 322.342 1.385 0 40 DDAB COc1ccc(O[C@@H](C)C(=O)NCCCn2ccnc2)cc1 14396655 GTCTZEVAVFIJGG-ZDUSSCGKSA-N 303.362 1.866 0 40 DDAB Cc1cc(O)c(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)c(=O)o1 16267049 KSLMMCYCZQJDRA-MRXNPFEDSA-N 315.281 1.067 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)nn1 225461898 NLEMCWTWGIAEEE-GFCCVEGCSA-N 302.334 1.765 0 40 DDAB O=C1Cc2cc(S(=O)(=O)N3CCc4ccccc43)ccc2N1 5403060 KRXINRJZGKMNHE-UHFFFAOYSA-N 314.366 1.933 0 40 DDAB Cc1[nH]c2ccc(C(=O)N3CCO[C@](C)(C(N)=O)C3)cc2c1C 1848352390 UWNUAAFBHNQOPL-KRWDZBQOSA-N 315.373 1.501 0 40 DDAB CN(C)C[C@@H]1OC[C@H]2CN(C(=O)Cc3ccc(F)cn3)CC[C@H]21 1565546147 WFMGGFDFNNFWJS-WQVCFCJDSA-N 321.396 1.188 0 40 DDAB COc1ccccc1NC(=O)CN1C(=O)CS[C@@H](C)C1=O 2711142 DISOWKCKOJECOP-VIFPVBQESA-N 308.359 1.124 0 40 DDAB CCc1ccccc1NC(=O)C[C@H](NC[C@H]1CCCO1)C(=O)O 4279970 KLEWRDJYEOFKRP-HIFRSBDPSA-N 320.389 1.799 0 40 DDAB O=C(NCC[C@H](CCO)c1ccccc1)C(=O)Nc1ccon1 206628468 IUUPEMZVZYVDQU-CYBMUJFWSA-N 317.345 1.286 0 40 DDAB O=C(N[C@H](C(=O)O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 3141037 VSXIATZJERMSIY-AWEZNQCLSA-N 323.308 1.479 0 40 DDAB COc1ccc2cc(CNC(=O)NCCNC(C)=O)ccc2c1 10495664 YUGAECAXHYZBGA-UHFFFAOYSA-N 315.373 1.784 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccncc2)CC1 30496707 CPYDKMUNJCKNQO-UHFFFAOYSA-N 322.390 1.197 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 31401257 SLYRPBVCJBPPCM-KGLIPLIRSA-N 314.393 1.094 0 40 DDAB O[C@H](COc1ccccc1)CN1CCN(c2ncccn2)CC1 20405135 HXNJTHLIHVKIGH-HNNXBMFYSA-N 314.389 1.039 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCCN1C(=O)CSC1=O 40554726 YFVWQNPTDUVDGN-JTQLQIEISA-N 308.359 1.266 0 40 DDAB NC(=O)C1CCN(CC(=O)N2CCC[C@H]2c2ccsc2)CC1 51186172 NBANMQZAHHCJGQ-AWEZNQCLSA-N 321.446 1.609 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=S)n2Cc2cccnc2)C1 20567702 AGCLEGNFBMHQEH-UHFFFAOYSA-N 317.418 1.943 0 40 DDAB CCn1nnnc1SCC(=O)N1CCc2ccccc2C1 410551 JVSUVLQBYTZFTJ-UHFFFAOYSA-N 303.391 1.370 0 40 DDAB COCCn1cc(CN[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cn1 76057599 YMWQCCPSBSCXQL-HOCLYGCPSA-N 322.453 1.512 0 40 DDAB CN(Cc1cccnc1)C(=O)CNC(=O)c1ccc2[nH]ccc2c1 78796908 MFSRWNKKCCTDDI-UHFFFAOYSA-N 322.368 1.951 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CC[S@@](=O)C2)s1 78963619 YPHYXLFTNUIHIU-XJZHNMMOSA-N 309.359 1.909 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(C)n2C)CC1 47091899 XGEVSMFDCIDNTM-UHFFFAOYSA-N 316.405 1.896 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 6891642 PPKBJOFHBQSVEH-GFCCVEGCSA-N 320.305 1.372 0 40 DDAB C[C@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1ccnc1 53746792 OAKYIFBUUVPJJL-SSDOTTSWSA-N 300.240 1.790 0 40 DDAB O=C1CCC2(CCN(C(=O)c3ccno3)CC2)CN1CC1CC1 108532554 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Cc1nccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)n1 58392486 CMFQFCANGVGBOA-JTQLQIEISA-N 302.300 1.399 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)N1CCCc2ccccc21 10715960 YRTRLZAVKATTAN-SECBINFHSA-N 303.391 1.847 0 40 DDAB O=C(O)CCN1C(=O)S[C@H](Nc2cccc(C(=O)O)c2)C1=O 2354785 YBCJKAKCJPPZAG-JTQLQIEISA-N 324.314 1.293 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccccc3)C[C@H]2N1Cc1ccccn1 67897142 YEFPJJPFSSLXRO-MSOLQXFVSA-N 323.396 1.693 0 40 DDAB biogenic,in-vitro CCOC(=O)N1CCC(NC(=O)c2snnc2CC)CC1 28661357 LJGVLIPOFZGAAA-UHFFFAOYSA-N 312.395 1.451 0 40 DDAB COc1cc2nc(CSc3ncn[nH]3)[nH]c(=O)c2cc1OC 18244329 LZHQIMCBWDPRNV-UHFFFAOYSA-N 319.346 1.351 0 40 DDAB C[C@H](OC(=O)[C@@H](C)N1CCOCC1)C(=O)Nc1cccc(F)c1 71921294 MEBDSHAPINJCNZ-NEPJUHHUSA-N 324.352 1.417 0 40 DDAB CC(C)C(=O)N1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 12882095 OUBIQOILMDTZAG-ZDUSSCGKSA-N 323.462 1.726 0 40 DDAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)cc1N 9608749 SDEOIMDMGUYCLP-SNVBAGLBSA-N 307.350 1.357 0 40 DDAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2cnc(C)cn2)c1 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CCO[C@@H](C)C(=O)Nc1cn(CC)cc(Br)c1=O 97110926 HNZIYSCIZIALRX-QMMMGPOBSA-N 317.183 1.994 0 40 DDAB O=S(=O)(NCCCO)c1ccc(Br)cc1F 68741415 CWWCJXYDONIWQG-UHFFFAOYSA-N 312.160 1.249 0 40 DDAB CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@H]1CCCO1 69037132 WVCZFWIVZYSQGH-CQSZACIVSA-N 319.405 1.960 0 40 DDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(C)s1 8247021 ZJRWGSRRZXLUJC-UHFFFAOYSA-N 308.359 1.747 0 40 DDAB CC(C)c1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nn1C 96462371 BQEYXPCOOFBFFQ-UHFFFAOYSA-N 313.423 1.193 0 40 DDAB CCN(C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)c1 69351672 DXLPXQQCCVBLBE-INIZCTEOSA-N 317.433 1.623 0 40 DDAB Cc1ccsc1CNC(=O)NCC1CCS(=O)(=O)CC1 96484957 FLYGUDRVBCLNHQ-UHFFFAOYSA-N 316.448 1.681 0 40 DDAB CCN1C[C@@H](C(=O)NCc2ccc(OCC3CC3)nc2)CC1=O 69485765 WMHBMNJCRLNFQP-AWEZNQCLSA-N 317.389 1.355 0 40 DDAB CN(CCNC(=O)c1ccnc(N(C)C)c1)C(=O)OC(C)(C)C 69598624 QWUSVHNJXGZFLU-UHFFFAOYSA-N 322.409 1.744 0 40 DDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccccc1 69698547 IJYLMSVJUOMYNZ-UHFFFAOYSA-N 300.362 1.468 0 40 DDAB CC(=O)NC1(C(=O)N2CCC[C@H](n3ccnc3)C2)CCCCC1 69843622 JUURYNLPUJMIPY-HNNXBMFYSA-N 318.421 1.886 0 40 DDAB C[C@@H]([C@@H](C)NCCS(=O)(=O)c1ccccc1)n1cccn1 69952018 LUNCRNXCUJKABZ-KGLIPLIRSA-N 307.419 1.896 0 40 DDAB O=C(NCCNc1cnccn1)c1coc(Br)c1 96998112 JAIXJMGXPWRQQR-UHFFFAOYSA-N 311.139 1.674 0 40 DDAB COC(=O)[C@@]12CCC[C@H]1CN(Cc1cc(C(N)=O)cs1)C2 97084970 XKMQWZDSQHPKGJ-XHDPSFHLSA-N 308.403 1.622 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccc(O)cc2O)CCN1CC(F)F 97079759 FLMPWYVFPVGRAE-SNVBAGLBSA-N 314.332 1.899 0 40 DDAB CCCN1CCCC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 72234948 CIIWGBCSNFYUPW-GJZGRUSLSA-N 305.426 1.706 0 40 DDAB O=C(NCc1ccco1)C(=O)Nc1ccc(Cn2cccn2)cc1 72290995 IJAYQWUUPCTPJE-UHFFFAOYSA-N 324.340 1.779 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3ccccn3)C2)no1 72267432 SSWZIFWWAGSHRW-OAHLLOKOSA-N 301.394 1.869 0 40 DDAB NC(=O)Cn1cc(Nc2ccnc(Cc3ccccc3)n2)cn1 97379707 BKAKRAGYQHUEOX-UHFFFAOYSA-N 308.345 1.493 0 40 DDAB Cc1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)o1 72534388 APFGFLSYAVZDHB-AWEZNQCLSA-N 320.389 1.832 0 40 DDAB C[C@@H]1CCC[C@H](OCC(=O)N(C)CC(=O)NCC(F)(F)F)C1 95395992 CJEVJITXMOODEO-MNOVXSKESA-N 324.343 1.719 0 40 DDAB O=C(Oc1ccc2[nH]ncc2c1)c1cnc2ccccn2c1=O 84606580 YFOJCONFOFYRAK-UHFFFAOYSA-N 306.281 1.790 0 40 DDAB CC(C)N1C(=O)C[C@H](Nc2nccc(C(F)(F)F)n2)C1=O 95407038 ILCKXQFCKDUJOB-ZETCQYMHSA-N 302.256 1.443 0 40 DDAB O=C(NCC1(C(=O)O)CCC1)c1cn(Cc2ccccc2)nn1 95425497 DEXVTQBJAIRQSQ-UHFFFAOYSA-N 314.345 1.311 0 40 DDAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2 88362794 BNSVGCONNQEKMD-RYUDHWBXSA-N 305.378 1.750 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Cn2cnnn2)cc1 74517524 QCQBJIREABEEIE-HIFRSBDPSA-N 301.350 1.018 0 40 DDAB CN(C(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 89335140 XAAYFRZSKWOZIE-ZFWWWQNUSA-N 322.430 1.893 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NC[C@](C)(O)c2ccccc2)C1 89929820 CWBVHNMQTCXUHH-ZFWWWQNUSA-N 312.435 1.460 0 40 DDAB COC[C@](C)(CCO)NCc1cc(OC)cc2c1O[C@@H](C)C2 89941401 RJZFSLJPIAFUIB-SJCJKPOMSA-N 309.406 1.896 0 40 DDAB 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ARNCKXACDHORAN-UHFFFAOYSA-N 323.418 1.549 0 40 DDAB CN(CCOC[C@@H]1CCCO1)[C@@H](C(N)=O)c1cccc(F)c1 110617837 YIRYJRGSMSOICZ-LSDHHAIUSA-N 310.369 1.480 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 35655427 MQAKLBFFFOAHCS-UHFFFAOYSA-N 304.390 1.610 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)Cc1c(C)noc1C 44700338 KDFMESUGQBRNBV-UHFFFAOYSA-N 303.318 1.580 0 40 DDAB C[C@H](OC[C@@H](O)CNC(=O)c1ccncc1)c1ccccc1 58166288 MIWVXZSAIZMWNN-BBRMVZONSA-N 300.358 1.950 0 40 DDAB CCn1cnnc1-c1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 58173156 NMOXGAZGDIXYFK-NSHDSACASA-N 300.318 1.403 0 40 DDAB Cn1ncc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c1-n1cccc1 44941763 AIEYIBCIEHXNEI-LSDHHAIUSA-N 313.405 1.567 0 40 DDAB COCCN1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CC1=O 45309296 QWDXFRUZFASHHK-OLZOCXBDSA-N 322.430 1.907 0 40 DDAB Cc1cccc(C(=O)N2C[C@H]3[C@@H](CC(=O)NC(C)C)[C@H]3C2)n1 107253890 GUAGOGSZVFZLDZ-BTTYYORXSA-N 301.390 1.623 0 40 DDAB Cn1nccc1CN1CCC2(CC1)CC(NC(=O)C1CC1)C2 108526939 ZYRMDDQYQYPQLT-UHFFFAOYSA-N 302.422 1.691 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1=COCCO1 3315742 JEXAAUJKJISBBF-LLVKDONJSA-N 303.314 1.396 0 40 DDAB CCc1nn2c(=O)cc(CN3C[C@H](C)OC[C@@H]3C)nc2s1 28984665 NAXXIVJBEVMVKF-UWVGGRQHSA-N 308.407 1.323 0 40 DDAB Cc1cc(NC(=O)NC2CCN(c3ccccn3)CC2)n(C)n1 45975349 JVWWZEANXXRMOZ-UHFFFAOYSA-N 314.393 1.914 0 40 DDAB CCOCc1ccc(CNC(=O)N2CC[C@H](C(N)=O)C2)cc1 46176752 ZURYMJHUMWYWTQ-AWEZNQCLSA-N 305.378 1.240 0 40 DDAB CCC(=O)c1ccc(OCc2nc(N)nc(N(C)C)n2)cc1 12764612 WPLQTJSTCLBFSU-UHFFFAOYSA-N 301.350 1.692 0 40 DDAB O=C(CN1CSCC1=O)N[C@@H]1CCSc2ccccc21 48326306 VFDQOHIVLPGVMF-LLVKDONJSA-N 308.428 1.873 0 40 DDAB O=C1CN(Cc2cc(=O)n3ccsc3n2)c2ccccc2N1 3441061 CQXRLFYEYYTBGM-UHFFFAOYSA-N 312.354 1.715 0 40 DDAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)Cn3ccnc3)c2)n1 72301570 OPHUUKAUQRRLJR-UHFFFAOYSA-N 309.329 1.581 0 40 DDAB C[C@@H](SCc1ccccc1)C(=O)NCC1(O)CCN(C)CC1 72306582 PZUVDPNEJXBOOM-CQSZACIVSA-N 322.474 1.881 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 84367615 NWMWOUHSGUTESY-STQMWFEESA-N 318.764 1.764 0 40 DDAB CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@H]1CCS(=O)(=O)C1 23027833 XLKHXHQPYVCSEJ-AAEUAGOBSA-N 311.428 1.349 0 40 DDAB COCc1cc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)ncn1 93314713 GZBWPTQUQGMFNF-JTQLQIEISA-N 302.338 1.025 0 40 DDAB C[C@H]1CCCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 7340745 WYZXPCCCPRTYON-LBPRGKRZSA-N 310.419 1.761 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1cccc(C)c1)NC(=O)N2 7787152 INKJHRGZUOXPLF-AWEZNQCLSA-N 301.346 1.092 0 40 DDAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)c2c1 7738115 IHCJYAJHPMSNEG-QMMMGPOBSA-N 320.301 1.490 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)c1ccc2c(c1)OCO2 7888244 LZGDJSANTNKMQR-UHFFFAOYSA-N 309.281 1.403 0 40 DDAB Cc1csc(NC(=O)CN2C(=O)COc3ccccc32)n1 8390911 FEUYCSYHOCYYEC-UHFFFAOYSA-N 303.343 1.816 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 8394130 FHMLSCGQINODKG-TXEJJXNPSA-N 310.419 1.713 0 40 DDAB CC1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 8318387 HWDYEJFGAUSZNH-LLVKDONJSA-N 302.378 1.915 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 69453632 BKVPZUKLWLYKMR-UHFFFAOYSA-N 309.373 1.907 0 40 DDAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccnc1 9368854 CBTYVRZGYIWHFG-LLVKDONJSA-N 308.341 1.738 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3ccoc3)CC2)n1 69517850 WHBAKEUPPXADBG-UHFFFAOYSA-N 302.334 1.431 0 40 DDAB CC[C@@H](N[C@H](C)Cn1cc(C)cn1)C(=O)Nc1cc(C)on1 69561432 MWXOCLJFCGKARU-DGCLKSJQSA-N 305.382 1.883 0 40 DDAB CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCC(O)CC2)c1 69772898 GLZFUBAXVDZZFL-LLVKDONJSA-N 306.362 1.316 0 40 DDAB CCN1C[C@H](C(=O)NCCc2nc(C(C)(C)C)cs2)CC1=O 69776885 MXKIACGRMOMVMD-LLVKDONJSA-N 323.462 1.968 0 40 DDAB CCc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C)on2)no1 72279367 JZSLDGUNMPEMTE-JTQLQIEISA-N 305.338 1.704 0 40 DDAB CCc1ncc2c(n1)CN(CC(=O)N(C)Cc1ccco1)CC2 69951109 GYCUEVHIWGCUGU-UHFFFAOYSA-N 314.389 1.649 0 40 DDAB C[C@@H]1CN(C(=O)[C@H](O)C2CCOCC2)C[C@H](c2ccccc2)O1 72289535 SLWAPXIBPOXTFG-KBRIMQKVSA-N 319.401 1.763 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)C12CCCC2 96432522 DMIDYTIFDYVDNY-ZIAGYGMSSA-N 319.405 1.406 0 40 DDAB CCc1nnc2n1C[C@H](CNc1ncnc3c1cnn3C)CC2 72276449 KJTOLFBMPRLPLK-JTQLQIEISA-N 312.381 1.192 0 40 DDAB CC(C)(C)[C@H](NCC(=O)N1CCNC(=O)C1)c1cccs1 71822585 FWEWLYXAMZKELY-CQSZACIVSA-N 309.435 1.383 0 40 DDAB Cc1csc([C@@H]2CCCN(C(=O)CCn3cncn3)C2)n1 72298837 CWWJYNIZNYTVPV-GFCCVEGCSA-N 305.407 1.839 0 40 DDAB Cc1noc(C)c1CCNC(=O)C(=O)Nc1ccccc1F 71886096 VTWGNACVGAUUDO-UHFFFAOYSA-N 305.309 1.728 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H](C)n2cnc3ccccc32)CC1 71871212 YVYVPOARJFRGCE-KBPBESRZSA-N 316.405 1.122 0 40 DDAB CCc1cccc(N(C#N)Cc2nc(CS(C)(=O)=O)no2)c1 83825622 DQGMSOYPKOSWAS-UHFFFAOYSA-N 320.374 1.664 0 40 DDAB Cc1nonc1NC(=O)CN1CCOc2ccc(Cl)cc21 84061138 PJIXUBJLWBFECX-UHFFFAOYSA-N 308.725 1.869 0 40 DDAB CC(C)CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474180 VZXZPGXQVMPTQF-NSHDSACASA-N 300.362 1.688 0 40 DDAB CCO[C@@H](C)c1noc(CN2CCN(c3ccncc3)CC2)n1 84800622 XBXUTUVZBWGMBZ-ZDUSSCGKSA-N 317.393 1.884 0 40 DDAB CCOC(=O)C1(C(=O)N2CCCN(C3CCCC3)CC2)CC1 73880629 GSWJYCYTRNIAPN-UHFFFAOYSA-N 308.422 1.807 0 40 DDAB Cc1nc(C)c(S(=O)(=O)NCC(C)(C)CN(C)C)s1 95939900 WDMFVCDNFOARKC-UHFFFAOYSA-N 305.469 1.626 0 40 DDAB CC(C)CN1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961298 JLRGTPGMECTWJI-INIZCTEOSA-N 319.453 1.189 0 40 DDAB CN(Cc1ccncc1)C(=O)NCc1nnc2n1CCCCC2 89363774 UVVJFMHARPLYQJ-UHFFFAOYSA-N 314.393 1.741 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)cc1 89938531 SEODZGCXHGPNQC-AWEZNQCLSA-N 303.406 1.299 0 40 DDAB CCO[C@H](C)C(=O)NC[C@](C)(NC(=O)[C@@H](C)OCC)C(C)C 75612078 NHNFHJDBVKMHQP-IOASZLSFSA-N 316.442 1.484 0 40 DDAB CCN(CC)CCN[C@@H](CC(=O)Nc1cccc(O)c1)C(=O)O 22791711 DSQDIQSLFMJQCT-AWEZNQCLSA-N 323.393 1.105 0 40 DDAB Nc1nccnc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 22109017 JLKAAWNBJGHYNU-UHFFFAOYSA-N 313.269 1.228 0 40 DDAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC(C)C)cc1 67896625 ZEJYMXVFAFVXSU-NVXWUHKLSA-N 320.389 1.562 0 40 DDAB biogenic,in-vitro Cc1nccc(N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1 72379714 KEUAFZDUCQAYEC-INIZCTEOSA-N 304.394 1.439 0 40 DDAB Brc1nc(Br)n(C[C@@H]2CCCO2)n1 67800369 SOGSVWCIAXVUDN-YFKPBYRVSA-N 310.977 1.982 0 40 DDAB O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1C[C@@H]1C1CCCCC1 548017579 WDOJPHQUHSGLEP-KFWWJZLASA-N 302.422 2.572 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccco3)n[nH]2)c[nH]1 524735553 JKVUZUHYFJQMHP-UHFFFAOYSA-N 315.289 1.079 0 40 DDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccncc1 536949704 LUTAFCQKHIGHJH-NWDGAFQWSA-N 310.350 1.571 0 40 DDAB Cc1nnnn1-c1cccc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 71288453 CFPLEETXEPJIPC-IPYPFGDCSA-N 309.373 1.913 0 40 DDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217698433 OGZMRYQTZFKIJX-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB O=C(CNC1CC1)Nc1ccccc1I 37386746 RYWFEFNVODCKDT-UHFFFAOYSA-N 316.142 1.982 0 40 DDAB CCn1cc(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)cn1 72239566 DGMKWPHQPOWOTQ-CYBMUJFWSA-N 302.334 1.626 0 40 DDAB Cn1c(=O)n(C)c2cc(CNC[C@H](O)c3ccccc3)ccc21 32616884 CMQMFILZAUDAIY-KRWDZBQOSA-N 311.385 1.700 0 40 DDAB CC(=O)c1cccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1 70838372 AOYNRTJEBIRMJH-UHFFFAOYSA-N 322.386 1.252 0 40 DDAB CN(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392876 QNMSPXSGYNATLX-HUUCEWRRSA-N 319.405 1.641 0 40 DDAB Cn1cc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)cn1 225723747 GWONMGOXJSUUIA-GFCCVEGCSA-N 304.375 1.952 0 40 DDAB N=c1nc2c(c[nH]1)CN(C(=O)C1(Cc3ccccc3)CC1)CC2 569300644 HRGIHVKOHNCUMU-UHFFFAOYSA-N 308.385 1.797 0 40 DDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccco2)C1 225503591 JYZGXQBUAUZGAM-GFCCVEGCSA-N 316.361 1.819 0 40 DDAB COC(=O)CCCNC(=O)COc1ccc(F)cc1Cl 48434826 ARHJRDZVJVOBCU-UHFFFAOYSA-N 303.717 1.927 0 40 DDAB CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)OCC 83265118 QXELSODIWMVNCI-HUUCEWRRSA-N 305.374 1.861 0 40 DDAB COC[C@@H](O)CN(C)C(=O)/C=C/c1cn(C)c2ccccc12 87450569 PEOKGLDQFFQUOD-VFNNOXKTSA-N 302.374 1.657 0 40 DDAB CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225574136 ADISNKZMDIFBLW-MRVPVSSYSA-N 320.440 1.600 0 40 DDAB COc1ccc(NC(=O)CCNC(=O)c2cc(C)nn2C)cc1 96192435 IQVYUEUAWMDVFW-UHFFFAOYSA-N 316.361 1.496 0 40 DDAB CC[C@@H](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 96408574 TXKLQINDVMETIE-DZGCQCFKSA-N 324.446 1.720 0 40 DDAB O=C([C@@H]1CN(c2ncc(F)cn2)C[C@H]2OCC[C@H]21)N1CCCC1 97953392 SMODEVXAQWGHDP-BFHYXJOUSA-N 320.368 1.079 0 40 DDAB COC(=O)CN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 96500942 PTKBSGDCMUTVIB-GFCCVEGCSA-N 316.279 1.351 0 40 DDAB O=C(C[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21)N1CCCC1 96216845 DQQVQUWOHRODLR-BFHYXJOUSA-N 321.446 1.602 0 40 DDAB COc1cccc(/C=C2/SC(=O)NC2=O)c1OCC(=O)O 98063823 DUOBPJLBIJVAJP-WEVVVXLNSA-N 309.299 1.483 0 40 DDAB Cn1nnnc1COc1ccccc1C(=O)Nc1ccon1 96101387 KOZLPXDAARWIPE-UHFFFAOYSA-N 300.278 1.029 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3C)C[C@H]1O2 96252758 OCLDNZZRHFLVFQ-MBNYWOFBSA-N 303.362 1.362 0 40 DDAB O=C(NCc1ccccn1)[C@@H]1COC[C@H]2CN(CC3CC3)C[C@@H]12 97953316 SFTVAXATPJRDHK-DJIMGWMZSA-N 315.417 1.302 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 248008739 CXDUXGWYMDDSBG-CYBMUJFWSA-N 302.378 1.637 0 40 DDAB O=C(COc1ccc2c(c1)CCCC2)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257336860 YQHVUMMKFIHKJE-JFIYKMOQSA-N 319.401 1.335 0 40 DDAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)s1 257224669 FCUQKWACXVUOHG-SNVBAGLBSA-N 304.375 1.555 0 40 DDAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CN 257323785 WLVGQMBHRJXPNS-BQFCYCMXSA-N 315.417 1.341 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257280844 OMQROHDZHJKVBW-LLVKDONJSA-N 305.769 1.651 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)C1CCOCC1 257247672 IZZVWHVIKDRHJM-OAHLLOKOSA-N 319.405 1.372 0 40 DDAB CN1C(=O)CO[C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C[C@@H]21 257340662 ZHCNZCAZBSAXAU-NWDGAFQWSA-N 316.348 1.270 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccc(O)nc1 253535733 BKCLBIAELZZZSA-JOCQHMNTSA-N 314.345 1.697 0 40 DDAB CCOc1ncccc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](OC)C1 257207436 BHSLWAJTVWKQIP-YOEHRIQHSA-N 320.389 1.890 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2sc(C)nc2C)n1 257258711 KVEXKMPLTOPIHU-GFCCVEGCSA-N 320.418 1.934 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 257295871 RAFSNUMNHJZMCP-GFCCVEGCSA-N 314.393 1.347 0 40 DDAB CN1CCN(c2ncc(NC(=O)/C=C/c3ccccc3)cn2)CC1 85470459 PLLYYZOHVDYLGS-BQYQJAHWSA-N 323.400 1.880 0 40 DDAB O=C(COc1cccnc1)Nc1ccccc1-c1ccc(=O)[nH]n1 96097789 FWIRIMLVKWKUAU-UHFFFAOYSA-N 322.324 1.849 0 40 DDAB CCCc1n[nH]c(=NC(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)s1 647690532 QMCXIFSDBQWOIY-IUCAKERBSA-N 312.395 1.487 0 40 DDAB CCc1c(C(=O)N2CCCCC2)cnn1-c1ccc(OC)nn1 24477729 ZXGCBBLCHNZWNP-UHFFFAOYSA-N 315.377 1.859 0 40 DDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)CC(C)C)CC2 585096588 VAYXPVIFQAXQOI-GFCCVEGCSA-N 322.409 1.209 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)C1=Cc2cccc(OC)c2OC1 69348806 RIMFCZMWAJNPRO-UHFFFAOYSA-N 318.373 1.408 0 40 DDAB Cc1noc([C@@H](C)NC(=O)COCCOc2ccccc2)n1 69630623 WXNYMOGPUQAIJL-LLVKDONJSA-N 305.334 1.651 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1 44456955 VDVKVNNTKNRMKU-GFCCVEGCSA-N 317.432 1.016 0 40 DDAB C[C@@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C[C@@H](C)O1 47047063 FUCFYHCTHSUEOF-VXGBXAGGSA-N 300.358 1.706 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H](C)c2nc(C)no2)cc1 47661926 HTYUPBQZYNLZBE-MRVPVSSYSA-N 309.347 1.871 0 40 DDAB C[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(N)=O 56586945 TZRKKBRYSRNJKL-LURJTMIESA-N 315.251 1.670 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 50246834 XONGEWABNWCLSW-VIFPVBQESA-N 324.324 1.555 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCNC2)c(Br)c1 52093379 XDZICPFGQIYJAC-SECBINFHSA-N 319.224 1.398 0 40 DDAB CS(=O)(=O)CCNC(=O)CCOc1cccc(Cl)c1 53299118 MHVLRBYESWGKKP-UHFFFAOYSA-N 305.783 1.270 0 40 DDAB CCN(CC)c1ccc(NC(=O)N(CCO)CCCO)cn1 72275187 RQXBTXLDPBDKIT-UHFFFAOYSA-N 310.398 1.136 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 72679300 XZKHXICMNHRYGQ-LSDHHAIUSA-N 318.373 1.334 0 40 DDAB CN(C(=O)Cn1cnc2ncccc2c1=O)C1CCCCC1 58367174 VZBDNNCEGTTXAE-UHFFFAOYSA-N 300.362 1.583 0 40 DDAB CCc1cnc(OC2CCN(Cc3ncnn3C)CC2)nc1 1776008465 GYRKGFXISUTHLH-UHFFFAOYSA-N 302.382 1.211 0 40 DDAB CN1C[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)CC1=O 88232668 GWXXKSCVAAFBEJ-SNVBAGLBSA-N 302.309 1.428 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1 85436595 JAPQIEVYYNEIML-KRWDZBQOSA-N 302.418 1.832 0 40 DDAB C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCCc2nn(C)cc21 573782980 LZQAEKBVISVTLT-IINYFYTJSA-N 312.439 1.362 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cccn1C 11846579 OUTUOCUDXICADI-CQSZACIVSA-N 315.373 1.787 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCC3CC3)n2)s1 12181737 HUUJWNZEXSLSIH-UHFFFAOYSA-N 318.402 1.389 0 40 DDAB Cn1cc(CNS(=O)(=O)c2cccc3cccnc23)cn1 14249215 JJALUFIVODKPKP-UHFFFAOYSA-N 302.359 1.447 0 40 DDAB O=C(O)C[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 166985470 PFQDXKYSEGTYDP-QMMMGPOBSA-N 303.101 1.893 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)Cn3cccn3)C2)nn1 225462602 LTUSNOWOEBHOHX-ZDUSSCGKSA-N 301.350 1.052 0 40 DDAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)[C@H]1CCCO1 1888834357 PWJJSUUWIHEBJZ-LLVKDONJSA-N 315.295 1.584 0 40 DDAB COCc1nsc(N2CCC(COc3ncccn3)CC2)n1 1888849400 IWLKIHGCNCBGMD-UHFFFAOYSA-N 321.406 1.770 0 40 DDAB CCc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)ncn1 1888879549 VHTIOAXEWQGDND-UHFFFAOYSA-N 310.365 1.032 0 40 DDAB Cc1cc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)nc(C)n1 1889096219 HLLMZTWMGPAXRR-CQSZACIVSA-N 320.462 1.885 0 40 DDAB Cc1cc(OC2CN(C(=O)c3c(C)nn(C)c3C)C2)ccn1 1889122709 HOZGHSLXUULZDR-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccnc(C)n2)C1 1848353861 NTUKDYKISNFBQN-ZDUSSCGKSA-N 312.439 1.551 0 40 DDAB O=C1CN(C(=O)c2ccc(SC(F)(F)F)cc2)CCN1 23420724 JATSTUNHAOVOQG-UHFFFAOYSA-N 304.293 1.871 0 40 DDAB Cc1nc(C2CCN(C(=O)CN(C)C)CC2)cn2cccc12 2037838306 CHWKZNZJVGEROJ-UHFFFAOYSA-N 300.406 1.910 0 40 DDAB CCN1C[C@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@@H](C1)O2 1565551947 VCOJFTLHHYYVIK-GASCZTMLSA-N 313.401 1.723 0 40 DDAB CCn1nnc2c(SCc3ccc(C(=O)OC)o3)ncnc21 13532317 ZJUNIRNITYTIFH-UHFFFAOYSA-N 319.346 1.913 0 40 DDAB O=C(C1CC1)N1CCn2c(COCc3cccnc3)nnc2C1 2055772871 OUHVUSNILSMMGX-UHFFFAOYSA-N 313.361 1.142 0 40 DDAB O=S(=O)(NC1CCN(c2ncnc3[nH]ccc23)CC1)C1CC1 2086861380 JGYFCVHMQILPMU-UHFFFAOYSA-N 321.406 1.009 0 40 DDAB O=C(Cc1cccnc1)Nc1nc2c(s1)C(=O)NCCC2 211130978 MVDMQAKCHXDPSM-UHFFFAOYSA-N 302.359 1.395 0 40 DDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccs1)NC(=O)N2 38671275 DRSKPPMSHRNOHK-JTQLQIEISA-N 320.374 1.623 0 40 DDAB Cc1csc(=O)n1CCn1nc(-c2ccc(F)cc2)oc1=O 10423259 KNAQBARUNRXVFM-UHFFFAOYSA-N 321.333 1.874 0 40 DDAB CCn1cc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)c(C)n1 20602644 PJLLMFYKILBCCX-UHFFFAOYSA-N 311.411 1.372 0 40 DDAB COc1ccc(-c2cc(O)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 101449766 VJPNCPILLCPLGB-LLVKDONJSA-N 308.359 1.624 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCCCC1 41297941 IKQGIDIZRUVVBQ-ZDUSSCGKSA-N 321.421 1.779 0 40 DDAB CN(C)C(=O)CN(C)C(=O)c1cccn1CCc1ccccc1 71851097 DRUBLOABEMKQPY-UHFFFAOYSA-N 313.401 1.891 0 40 DDAB CC[C@H](CO)N1CCN(Cc2cccc(NC(C)=O)c2)CC1 75960069 HNXBSCZTLFVBRV-QGZVFWFLSA-N 305.422 1.534 0 40 DDAB C[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 211267 WFMKQSRURUPTEW-SNVBAGLBSA-N 301.371 1.840 0 40 DDAB CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(OC)cc1OC 71855237 QOHOEKAOCNAVBB-LLVKDONJSA-N 309.362 1.975 0 40 DDAB CN(CCCN1C(=O)NC(C)(C)C1=O)C1Cc2ccccc2C1 71824832 NUZUBFRQDJXSMB-UHFFFAOYSA-N 315.417 1.806 0 40 DDAB Cn1nc(C(=O)OCC(=O)c2ccc[nH]2)c2ccccc2c1=O 2647331 VZZLYSWNVSSSLA-UHFFFAOYSA-N 311.297 1.301 0 40 DDAB CCN1C[C@H](CN(C)C(=O)c2cnccn2)Oc2ccccc21 71896583 IFORRQMUQLDZLA-ZDUSSCGKSA-N 312.373 1.836 0 40 DDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CCOC1 41378742 GEMVDSWERXTTIF-RDJZCZTQSA-N 318.417 1.523 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccccn3)C[C@@H]2C)CC1 76055591 GFAVHBFEYDOYDL-YOEHRIQHSA-N 302.422 1.066 0 40 DDAB Cc1ccc(CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)cn1 76093995 FVVQPZAAGWILBQ-AWEZNQCLSA-N 304.394 1.230 0 40 DDAB CCN(CC)C[C@@H](OC(=O)c1ccc(N)cc1)[C@H](COC)OC 1646399 LCUMRFCUJAIYHO-CVEARBPZSA-N 324.421 1.797 0 40 DDAB CC(C)(C)c1nc(CNC[C@@H]2CCS(=O)(=O)C2)cs1 77169652 XPFJTGYQTNGSPU-JTQLQIEISA-N 302.465 1.965 0 40 DDAB CNC(=O)Nc1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 2317267 XCTCCFIBAWPYOU-NSHDSACASA-N 306.240 1.361 0 40 DDAB Cc1cc(C)c(OCC(=O)NCCNC(=O)C2CC2)c(C)c1 41598508 HBOGEGZPLGGKHQ-UHFFFAOYSA-N 304.390 1.633 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)N2CCCC2)C1 41686902 ZOLYUHISVXMXQU-UONOGXRCSA-N 309.410 1.209 0 40 DDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)on3)ccc21 7325332 QQTPHSZVMXDQMC-UHFFFAOYSA-N 321.358 1.693 0 40 DDAB CN(CC(N)=O)C(=O)CCc1cc(F)ccc1Br 97107224 YVUBUFJXQAAWCL-UHFFFAOYSA-N 317.158 1.465 0 40 DDAB CC(=O)N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)C1CCCC1 53459001 SPLQWZZWXJRFNJ-MRXNPFEDSA-N 318.373 1.726 0 40 DDAB CN(C)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cn1 22419540 PALTWTTZYNSNKB-UHFFFAOYSA-N 308.345 1.981 0 40 DDAB COCCN1CC2(CCN(Cc3ncccc3C)CC2)CC1=O 108534385 WYOJNQDLMFKTCZ-UHFFFAOYSA-N 317.433 1.851 0 40 DDAB COCCN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 54188036 HSJBDXYVCHLTJN-IRXDYDNUSA-N 323.481 1.432 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3ccoc3C)CC2)n1 47693774 QFVWREZRMIPWKG-UHFFFAOYSA-N 302.334 1.349 0 40 DDAB CCNC(=O)c1ccc2c(c1)nc1n2CCN([C@@H](CC)CO)C1 23411526 QBNUPQXTSHRGBJ-ZDUSSCGKSA-N 316.405 1.373 0 40 DDAB CC(=O)Nc1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 24015937 LUVJFFIIOADFNJ-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB Cc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)sc1C 24776425 YPMNYYQZALMCFT-UHFFFAOYSA-N 316.448 1.472 0 40 DDAB O=C(NCCn1ccnc1)N1CCN(c2ccccc2O)CC1 43311629 AEEJLAHEFMZIHI-UHFFFAOYSA-N 315.377 1.121 0 40 DDAB C[C@@H]1CN(C(=O)Nc2cccc(N3CCNC3=O)c2)C[C@@H](C)O1 47893975 BLEARCDXRJZNJY-VXGBXAGGSA-N 318.377 1.857 0 40 DDAB CCOC(=O)N1[C@H]2C3C4[C@H]5C=C[C@H]4[C@H]([C@H]52)[C@H]3N1C(=O)OCC 104287358 RSHGBAWRRZYYBS-HJGVKYLGSA-N 304.346 1.877 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3nc(C)c(C)o3)C[C@H]2C)CC1 107141823 VOTXREIQNFYWLV-WBMJQRKESA-N 320.437 1.276 0 40 DDAB CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 28208295 ZGSQIQSDKSHFHC-LBPRGKRZSA-N 312.435 1.784 0 40 DDAB CC1CCC(NC(=O)[C@@H](C)N2[C@H]3CC[C@H]2CC(=O)NC3)CC1 106924509 ZPHPHJRCXWTVMB-PPJOZLOBSA-N 307.438 1.423 0 40 DDAB COc1ccccc1CNC(=O)Nc1ccc(-n2cncn2)nc1 48134049 ISECZUNISQGCRM-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB Cc1c([C@@H](C)NC(=O)NCc2cccnc2N(C)C)cnn1C 48252683 IUTHDSSOVAZKOL-LLVKDONJSA-N 316.409 1.750 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCCC2)C1 107264029 DGUFJGUDAXPWRP-IIAWOOMASA-N 319.405 1.503 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCN(c2cnccn2)CC1 48235208 LBDJCUZQRMZGOD-UHFFFAOYSA-N 315.377 1.859 0 40 DDAB CC[C@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 48235380 OKQNVIHRNMMBHI-KGLIPLIRSA-N 320.368 1.719 0 40 DDAB C[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)oc2=O)C1 44871476 HYTUVWBDVZWZOC-SNVBAGLBSA-N 307.375 1.823 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cn1 58333097 YHSFIIIXSVQAQE-UHFFFAOYSA-N 323.349 1.946 0 40 DDAB O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 9762273 CECYXZORTLDMII-QMMMGPOBSA-N 322.213 1.839 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)NCC(F)(F)F 45126264 HUKFYBRAOUVCBY-UHFFFAOYSA-N 318.299 1.280 0 40 DDAB CCN(CCCC(=O)NC(N)=O)Cc1ccc(OC)c(OC)c1 48310454 CUMQLQPJQDGJSV-UHFFFAOYSA-N 323.393 1.501 0 40 DDAB C[C@@H](Oc1ccc(Br)cc1F)C(=O)NC(N)=O 3404298 AZKZWMRGGODZPB-RXMQYKEDSA-N 305.103 1.550 0 40 DDAB O=C(C1CC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3557326 QMRWGUNJNREDLP-MDWZMJQESA-N 320.414 1.541 0 40 DDAB COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccccc1F 4159900 BMBPQDQBAKQBPE-CYBMUJFWSA-N 306.293 1.886 0 40 DDAB O=C(Nc1cccnc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060424 IXARCIJIBGQQLA-NSHDSACASA-N 323.360 1.603 0 40 DDAB CN1CCN(c2nc(N3CCCCC3)c3cnn(C)c3n2)CC1 4375014 JQFPGBQUQVZMQC-UHFFFAOYSA-N 315.425 1.105 0 40 DDAB CN(CC(N)=O)Cc1cc(Br)c2c(c1)OCO2 65465216 SAUPGXJIINENPH-UHFFFAOYSA-N 301.140 1.095 0 40 DDAB CC(C)c1ccc(CN(C)CN2C(=O)C(=O)N(C)C2=O)cc1 14093785 KHIUHPVYRBFEKI-UHFFFAOYSA-N 303.362 1.620 0 40 DDAB CS(=O)(=O)Nc1ccccc1C(=O)NOCc1ccccc1 65565393 JQGJXIUHTYTKHX-UHFFFAOYSA-N 320.370 1.920 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cnc2sccn2c1=O 6495142 DWMSHWYBUYTIFV-UHFFFAOYSA-N 303.318 1.825 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1CC1CC1 65608592 FWMFCCCRMXGCPV-CABCVRRESA-N 316.405 1.305 0 40 DDAB Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](C(=O)O)C3)c2n1 65733835 OCSMNHMMTKMVCP-APPZFPTMSA-N 300.322 1.185 0 40 DDAB in-vitro CC1=NN(C(=O)C(=O)Nc2ccccc2)[C@](O)(C(F)(F)F)C1 4725131 BCNINFBUOPQMMK-GFCCVEGCSA-N 315.251 1.484 0 40 DDAB Cc1nc2c(c(=O)n1CC(=O)NCCc1ccccc1)CCC2 5609000 NBVUCKYREWJISE-UHFFFAOYSA-N 311.385 1.399 0 40 DDAB Cc1ccn2cc(CNC(=O)CC3CCN(C)CC3)nc2c1 96013686 HZMYQIQBGNSCOL-UHFFFAOYSA-N 300.406 1.991 0 40 DDAB Cc1ccnc2nc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)nn12 16013577 LRYRBNIDTXAGCG-UHFFFAOYSA-N 324.344 1.387 0 40 DDAB COC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 7780703 UCXYEELZPFMOFU-UHFFFAOYSA-N 307.375 1.931 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8109444 TVXAOHUZAHOJLN-UHFFFAOYSA-N 316.810 1.583 0 40 DDAB CC1CCN([C@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 69367214 OVBADLSOSXNALW-CYBMUJFWSA-N 301.390 1.810 0 40 DDAB CCN(CC)C(=O)CNC(=O)NCCCc1nc(C)cs1 69350187 DRGIWXLMHNEMRC-UHFFFAOYSA-N 312.439 1.552 0 40 DDAB O=C(CN1CCCC[C@H]1C1OCCO1)NCCc1cccs1 69489822 HSURQZAJZLNBIF-AWEZNQCLSA-N 324.446 1.634 0 40 DDAB c1ccc(-n2nnnc2CN2CCCC[C@@H]2Cn2cncn2)cc1 69510336 PMBOFBQREZTMKD-OAHLLOKOSA-N 324.392 1.309 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)COc2cccnc2)CC1 69696952 RDYCIHSRJBJUEY-OAHLLOKOSA-N 321.421 1.012 0 40 DDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1 17959448 VINAHRNJPARLBK-VIFPVBQESA-N 307.737 1.067 0 40 DDAB CCC(C)(CC)NC(=O)c1cc(S(=O)(=O)NC)cs1 96451292 MXCUBQXZWUFRMU-UHFFFAOYSA-N 304.437 1.965 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@H](C)[C@@H]1CCOC1 96484429 FHACZKDXOQPCID-VXGBXAGGSA-N 308.426 1.769 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCO[C@H](CN(C)C)C1 69808434 FUTRTMIFIQZHMR-GDBMZVCRSA-N 317.433 1.227 0 40 DDAB CCN1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12 69809382 VQUANSIYYFXONN-LBPRGKRZSA-N 314.389 1.527 0 40 DDAB CCc1oc2ccccc2c1CN(C)CC(=O)NC(=O)NC 8751879 XKRLCKZYEOTDAD-UHFFFAOYSA-N 303.362 1.883 0 40 DDAB CCOC(=O)C1(O)CCN(C(=O)Nc2cccc(F)c2)CC1 72306153 ZQVDFBQRAUZXEZ-UHFFFAOYSA-N 310.325 1.748 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(OC(F)F)cc1 72270047 GLYQRPGDRCZSCG-VIFPVBQESA-N 313.304 1.318 0 40 DDAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](n2cncn2)C1 72293512 CROAOMRLUYFBCB-ZFWWWQNUSA-N 316.336 1.584 0 40 DDAB CCOCC(=O)N[C@@H](CC(=O)O)c1ccc(OC)c(OC)c1 72231651 FECUITUQMMOVMI-NSHDSACASA-N 311.334 1.372 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 72234038 HPJFXSWPVSQKAT-CYBMUJFWSA-N 317.393 1.309 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1cccc(CO)c1 84363221 RKVVKPADGGNOBO-KIUWMYQTSA-N 302.374 1.449 0 40 DDAB O=C(NC1CC1)c1ccc(N[C@@H](CO)Cc2ccccc2)nc1 84525691 KKRVMCFTULZIJJ-MRXNPFEDSA-N 311.385 1.989 0 40 DDAB CCOC[C@@H](O)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 95432166 FYAVOODTTGGUKB-INIZCTEOSA-N 322.453 1.391 0 40 DDAB C[C@@H]1CC(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)=NO1 95448375 CTTSYLMQZZBMRH-SNVBAGLBSA-N 302.309 1.792 0 40 DDAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C2=CCCCO2)cn1 95445998 GRZGJEVSLKAHTF-CYBMUJFWSA-N 303.362 1.678 0 40 DDAB CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCc2sccc21 95429818 RTZKEQFNYWPWST-LLVKDONJSA-N 301.433 1.671 0 40 DDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCOCC1 95946804 CCKUJBBLLOVULQ-INIZCTEOSA-N 302.374 1.381 0 40 DDAB NC(=O)c1cn(CC(=O)N(C2CCCC2)C2CC2)c(C2CC2)n1 95967124 AYHAJQXFLILSSR-UHFFFAOYSA-N 316.405 1.793 0 40 DDAB Cn1c(=O)oc2c(C(=O)Nc3ccc4nncn4c3)cccc21 95992116 GVTNXLQLQLCGIV-UHFFFAOYSA-N 309.285 1.427 0 40 DDAB COC(=O)[C@@H]1CN(Cc2cn3c(C)cccc3n2)C[C@@H](C)O1 89689080 DVPGCNPDLDNJFI-OCCSQVGLSA-N 303.362 1.405 0 40 DDAB Cc1ccc([C@](C)(O)CNC(=O)COc2c(C)nn(C)c2C)o1 89652379 QONJYSRPUJCZEC-MRXNPFEDSA-N 321.377 1.341 0 40 DDAB CCn1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)O)n1 1550924163 WRVKAFQMZYUREN-CQSZACIVSA-N 315.329 1.564 0 40 DDAB O=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1)c1ccc(Cl)cc1 409066000 GPMIKPWBYGIRKC-KBPBESRZSA-N 315.760 1.814 0 40 DDAB O=C(CCCn1cnnn1)N1CCO[C@H](c2ccccc2)C1 524734675 BKNKFCWGEZIKLG-AWEZNQCLSA-N 301.350 1.053 0 40 DDAB CC(=O)Nc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3ncnn32)cc1 35507605 WKRXTCBHZSGFEL-CYBMUJFWSA-N 312.333 1.011 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2cc(-c3ccc(F)cc3F)on2)N1 38754091 RBUPJTZARHWUAH-LBPRGKRZSA-N 321.283 1.515 0 40 DDAB COc1ccc([C@H]2[C@@H](C(=O)NC3CC3)CCC(=O)N2C)cc1 72242041 KBFMZAVTADHCDG-HOCLYGCPSA-N 302.374 1.883 0 40 DDAB CCn1nc(C)c(NC(=O)COc2ccccc2)c1C(N)=O 72265485 WPDGPSRZXVJOSM-UHFFFAOYSA-N 302.334 1.328 0 40 DDAB COC[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1OC 70018495 AZEIFSIBIHSJPV-CYBMUJFWSA-N 302.758 1.868 0 40 DDAB CC(=O)OC(OC(C)=O)c1ccc(S(=O)(=O)C(C)C)cc1 72242873 FNOPVDCZRUJXAT-UHFFFAOYSA-N 314.359 1.994 0 40 DDAB CO[C@H](C(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1 78914848 ADECEJDPJHLMPD-KRWDZBQOSA-N 319.449 1.470 0 40 DDAB O=C(Cn1cncn1)NCc1ccnc(N2CCCCCC2)c1 78655536 LNMGPIITIUCHOV-UHFFFAOYSA-N 314.393 1.370 0 40 DDAB Cc1nc(CC(=O)N(CC(=O)O)C2CCOCC2)c(C)s1 563624034 LDRDOAKNHHFOLF-UHFFFAOYSA-N 312.391 1.395 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)NCC(C)C)cc2C1 40647363 YCUBNKXZFJSEAM-UHFFFAOYSA-N 310.419 1.526 0 40 DDAB COCC[C@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 574891263 CDNNVLRAUGVHHS-ZDUSSCGKSA-N 307.394 1.026 0 40 DDAB COc1cc(CN(C)C(=O)c2cnn(C)c2)cc(OC)c1OC 225887990 BJHSGRINDWFLID-UHFFFAOYSA-N 319.361 1.718 0 40 DDAB Cn1nc(C(=O)NC[C@H]2CCCO2)cc1NC(=O)c1ccco1 40745733 MCHNHGGZLUHOEO-SNVBAGLBSA-N 318.333 1.174 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 42645995 PNRFAQLVMGHKNJ-SECBINFHSA-N 305.161 1.819 0 40 DDAB CCOC(=O)c1cnn([C@@H]2CCCN(Cc3cc[nH]n3)C2)c1 195555907 LLEUYVGWAGRRBX-CQSZACIVSA-N 303.366 1.620 0 40 DDAB C[C@H](CS(C)(=O)=O)NCc1nc2ccccc2n1C1CC1 194680929 AEESIPHAPMBLBZ-LLVKDONJSA-N 307.419 1.894 0 40 DDAB COc1ncccc1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 225520749 NZTLIUQIGHQHOR-NSHDSACASA-N 300.362 1.543 0 40 DDAB COc1ccc(OCc2cn(CC(=O)NC3CC3)nn2)cc1 227162923 MKEDMHYPPPTFIX-UHFFFAOYSA-N 302.334 1.144 0 40 DDAB COC[C@](C)(NS(=O)(=O)c1cccnc1)c1ccccc1 80281583 DVHWFNCQMHMORB-HNNXBMFYSA-N 306.387 1.922 0 40 DDAB CO[C@H](C)C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96454563 TZESBQXDBUGIDK-AMIZOPFISA-N 318.295 1.557 0 40 DDAB O=C(C1CC=CC1)N1CCc2ncnc(N3CCCC3)c2CC1 96255460 QZWUAMXCZLEUQQ-UHFFFAOYSA-N 312.417 1.970 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N=c1nc[nH]n1C(C)(C)C 332140611 JFFWRWQQUKPYAU-MFKMUULPSA-N 316.361 1.622 0 40 DDAB O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCCc2[nH]ncc21 96466463 JJGFERNRNCXFHO-BMIGLBTASA-N 303.337 1.819 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246496 GYVGXSCTKJCSOS-KFWWJZLASA-N 322.430 1.452 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1 96081371 GHXIRBHCSCZDLQ-RYUDHWBXSA-N 302.359 1.491 0 40 DDAB CCS(=O)(=O)[C@](Cl)(I)C(C)=O 96518294 VRWSIJVORSIFNI-RXMQYKEDSA-N 310.540 1.338 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1 96225508 VGHWHYJLDMJKRP-OAHLLOKOSA-N 322.434 1.731 0 40 DDAB O=C(NCC1CC1)[C@]12COC[C@H]1CN(Cc1ccncc1)C2 96217745 IYNSMUPMHWMZIQ-NVXWUHKLSA-N 301.390 1.056 0 40 DDAB O=C(NCCc1nc2c(s1)CCCC2)NCCn1ccnc1 95451592 VUKQZVRVLZKSAM-UHFFFAOYSA-N 319.434 1.760 0 40 DDAB CNc1cc([C@H]2CCCN2c2nc(OC)nc(OC)n2)ccn1 257235523 GYEYGLKJGVOEBC-LLVKDONJSA-N 316.365 1.667 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 257202754 ANGUEMGQRAGITJ-KRWDZBQOSA-N 316.405 1.021 0 40 DDAB O=C(CCn1ccnc1)N1CCC[C@H](c2ccnc(O)n2)C1 257333780 YCZYXEJJXYVSCP-LBPRGKRZSA-N 301.350 1.175 0 40 DDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257244863 INCDBWZSAFYOOD-IIAWOOMASA-N 318.377 1.301 0 40 DDAB Cc1cc(-c2cc(C)nc([C@@H]3CCCN3S(C)(=O)=O)n2)[nH]n1 257267107 MFZWLQNNKDCIRZ-ZDUSSCGKSA-N 321.406 1.580 0 40 DDAB C[C@@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1C(=O)O 263359792 RRRKODUNRDVHRB-LALPHHSUSA-N 320.364 1.974 0 40 DDAB Cc1nnsc1C(=O)NCCn1ccc(-c2ccccn2)n1 96098855 NAYZFEAORZCSBN-UHFFFAOYSA-N 314.374 1.535 0 40 DDAB Cc1cncc(CN2C[C@H](CC(=O)N3CCCC3)[C@@H](O)C2)c1 585277802 YBRCLXZCKRCHAI-HOTGVXAUSA-N 303.406 1.195 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2cc(C)[nH]n2)c(C)c1 585141902 IBZURGYDOFUSMW-GFCCVEGCSA-N 323.418 1.945 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCc2cc(=O)n3ccccc3n2)c1 69810175 SHAJOGJKIOYTQB-UONOGXRCSA-N 311.389 1.939 0 40 DDAB CCn1cnc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc21 1173944072 UKOVHTNHYJLESH-UHFFFAOYSA-N 317.374 1.993 0 40 DDAB COc1ccc2oc(C)c(C(=O)N3CCO[C@@H](C(N)=O)C3)c2c1 50844806 JNUMVRRDMFZVNV-CYBMUJFWSA-N 318.329 1.076 0 40 DDAB O=C(NCC1CCS(=O)(=O)CC1)NCC1(C2CC2)CC1 96484986 KAIDOWPSUMZWPD-UHFFFAOYSA-N 300.424 1.301 0 40 DDAB CCOc1ccccc1N1CCN(CCC2OCCO2)CC1 97094917 IJBDXYSQXDXYBW-UHFFFAOYSA-N 306.406 1.970 0 40 DDAB CC(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1Cn1cccn1 75129544 GQQXPJQIOJOINX-CYBMUJFWSA-N 313.423 1.087 0 40 DDAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccccn2)C1 89274685 VKUIFYWCKDQJSX-VUCVNMQBSA-N 309.435 1.961 0 40 DDAB C[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101636153 NZROPEOKQRKBDT-NWANDNLSSA-N 312.369 1.643 0 40 DDAB Cc1sc(NC(=O)[C@H]2CNC(=O)N2)nc1Cc1ccccc1 89548332 BACGBZBWSOHIJG-GFCCVEGCSA-N 316.386 1.662 0 40 DDAB C[C@H](CO)[C@@H](C)NC(=O)NCc1cn2cc(Cl)ccc2n1 77760241 ODHBTPKXMQKKIY-NXEZZACHSA-N 310.785 1.804 0 40 DDAB Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)no1 78936299 JZQNDFVAWONKAN-NSHDSACASA-N 306.347 1.750 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 79023857 KEOYOMVQHRYZBY-UKRRQHHQSA-N 317.389 1.772 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 81701331 YDOJNBFDMXHPCP-NZVBXONLSA-N 314.341 1.172 0 40 DDAB CC1(C)C(=O)OCCN1S(=O)(=O)c1ccc(Cl)s1 12193331 RMWCNFIKGIEFSM-UHFFFAOYSA-N 309.796 1.728 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CC[C@@](O)(c2ccccc2)C1 12362590 JCZFTUWUGIZYMT-HNNXBMFYSA-N 321.402 1.011 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C(N)=O)C1 13095365 ILKLCJITWLSUED-LLVKDONJSA-N 309.797 1.784 0 40 DDAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1ccccc1 206816923 BNFXEFRJKRSEJE-LLVKDONJSA-N 309.416 1.700 0 40 DDAB NC(=O)c1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3237636 IEQFHMOBAQCNSL-UHFFFAOYSA-N 322.324 1.746 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@@H]3C2)n1 1888843172 USTVKEFWVPRNMH-CHWSQXEVSA-N 313.361 1.290 0 40 DDAB COc1ccc2[nH]c(CN3CCN(C)C[C@H](C(N)=O)C3)cc2c1 1848352401 TVZRMVMDHKLSHL-ZDUSSCGKSA-N 316.405 1.025 0 40 DDAB COc1ccccc1-c1cc(C(=O)N2CC(n3nccn3)C2)n[nH]1 1849489040 AXIWLWHIZPPNOG-UHFFFAOYSA-N 324.344 1.374 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 20537607 JDMPINHQMCQJIE-WCQYABFASA-N 306.362 1.997 0 40 DDAB COc1ccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cc1 2037980780 ILDOBGYIRXZCBZ-HOCLYGCPSA-N 304.390 1.374 0 40 DDAB O=C(N1CCN2CCc3c(ncn3CC3CC3)[C@@H]2C1)C1(F)CC1 1565549874 HNOGGUVNFLWXIN-AWEZNQCLSA-N 318.396 1.537 0 40 DDAB O=C(N1CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1)C1(F)CCC1 1565545046 XINRKYCPBFFZTQ-NEPJUHHUSA-N 316.398 1.046 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(CC2CC(F)(F)C2)CC1 2086865332 KUWQPWUIBBRBMH-GFCCVEGCSA-N 303.397 1.562 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 50081612 VPCNOICTDZKZTG-INIZCTEOSA-N 317.433 1.493 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C(N)=O 30333083 CCPZCVVJCLPLFV-NSHDSACASA-N 316.810 1.677 0 40 DDAB CC(C)(C)c1noc(CN2C(=O)N[C@]3(CCSC3)C2=O)n1 31647252 FCGQXMJZYYVQFQ-ZDUSSCGKSA-N 310.379 1.295 0 40 DDAB O=C(Cc1ccccc1F)N1CCC(CN2CCOCC2)CC1 40541253 OZFRDOYCJHZLQP-UHFFFAOYSA-N 320.408 1.939 0 40 DDAB Cc1nnc(NC(=O)CN2CC(=O)Oc3ccccc32)s1 31846949 UKKAKUISDIAKSH-UHFFFAOYSA-N 304.331 1.211 0 40 DDAB CC(C)n1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 265516 ORXBYZBVGAHFTQ-UHFFFAOYSA-N 305.382 1.385 0 40 DDAB biogenic Cn1ncc2c(N3CCN(C(=O)C4CCCC4)CC3)ncnc21 21132633 BDAAATWKPQVPQG-UHFFFAOYSA-N 314.393 1.202 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)N2CCC2)c1C 32780906 NBHVERNEADKKDV-CQSZACIVSA-N 324.446 1.819 0 40 DDAB O=C(NCCC(=O)N1CCCC1)NCc1ccc2c(c1)OCO2 32795199 LKELFBAYSADLNS-UHFFFAOYSA-N 319.361 1.227 0 40 DDAB CCc1nc(C)c(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)s1 76052984 DDEWXIVMDLGYQL-DGCLKSJQSA-N 323.462 1.807 0 40 DDAB CC(C)(C)c1nc(CNC[C@H]2CCS(=O)(=O)C2)cs1 77169653 XPFJTGYQTNGSPU-SNVBAGLBSA-N 302.465 1.965 0 40 DDAB Cc1nc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2o1 78261462 IWLQKEZLTXAWAW-SNVBAGLBSA-N 309.347 1.445 0 40 DDAB COc1ccc2c(CC(=O)N3CCN(CCO)CC3)coc2c1 78344699 IMAGJZOMXCODSA-UHFFFAOYSA-N 318.373 1.120 0 40 DDAB CCC[C@@]1(C(OC)OC)NC(=O)N(Cc2ccccc2)C1=O 1736610 GHCYUKNGFRILNP-MRXNPFEDSA-N 306.362 1.896 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cncn1 78881326 NNQVSHPCTQUQLD-GXSJLCMTSA-N 302.338 1.463 0 40 DDAB Cc1cccc(C)c1NCC(=O)NC[C@](C)(O)c1cnn(C)c1 78972957 OTAQQHHKWVZMEY-KRWDZBQOSA-N 316.405 1.473 0 40 DDAB CN(C)C(=O)CSc1nnc(SCCC(=O)O)s1 3329607 OTQKJWADLOFLJQ-UHFFFAOYSA-N 307.422 1.285 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)c1cccc(N(C)C)c1 3399931 LFLPPMFLDAGLKX-UHFFFAOYSA-N 307.350 1.144 0 40 DDAB CC(C)n1cnnc1SCC(=O)NC(=O)c1cccn1C 4768389 OTRLMQCNMLVVBW-UHFFFAOYSA-N 307.379 1.246 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCCc1ccc(Cl)cc1 101451692 IDXMKYCWWSEGFT-XUXIUFHCSA-N 321.760 1.653 0 40 DDAB O=C(NC1CCCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 53955476 AZZQDHRSDVAUBX-HNNXBMFYSA-N 323.437 1.742 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)c(OC)c1 12323237 RKZHJFNNMINYNU-LLVKDONJSA-N 302.290 1.279 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)[C@H]3CCCO3)CC2)nn1 69698179 XDQWZUBKBNTVJO-CQSZACIVSA-N 304.394 1.391 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1 23241307 GEUCTRLUMDVXSN-UHFFFAOYSA-N 304.346 1.168 0 40 DDAB CC(C)c1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 8018498 JZQIFZCZRIGUSE-UHFFFAOYSA-N 316.361 1.449 0 40 DDAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC2(CC1)OCCO2 12323999 WBCLSHJOMFCGNN-UHFFFAOYSA-N 321.764 1.967 0 40 DDAB C[C@H]1CN(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C[C@@H](C)O1 23381349 WXGJQEYKGBFLAR-JFILPPLUSA-N 309.410 1.554 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)CCc1nc(C(C)(C)C)no1 42535147 YDEJLXKJETUZGC-NSHDSACASA-N 305.382 1.701 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)c1 42985868 XCWCEZRSYSKFJU-SNVBAGLBSA-N 300.355 1.020 0 40 DDAB Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 55072130 DRBPZKOEYGGPHG-UHFFFAOYSA-N 300.362 1.096 0 40 DDAB CC(=O)N[C@H](CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1 106035284 PCZGGLYIKOWXDH-NQBHXWOUSA-N 310.419 1.951 0 40 DDAB O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCOCC1 24953358 XMECZDDDJDRAPJ-UHFFFAOYSA-N 315.329 1.320 0 40 DDAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1nn(C)c3ccccc13)CCO2 106763387 MUTWHELFUJHYDE-FMKPAKJESA-N 315.373 1.592 0 40 DDAB CNC(=O)c1ccc(NCC(=O)NCC(F)(F)F)cc1Cl 55892598 NVQBWMOMLDLIEV-UHFFFAOYSA-N 323.702 1.790 0 40 DDAB CC(=O)N[C@H](C)C(=O)NCCc1ccc(C(F)(F)F)cc1 25379002 ONIDQDMKXNMVJZ-SECBINFHSA-N 302.296 1.889 0 40 DDAB CC(C)(CNc1nnnn1-c1ccccc1)N1CCOCC1 25686267 QACQOBAJBVHABJ-UHFFFAOYSA-N 302.382 1.185 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2csc(-c3ccco3)n2)CCO1 43702057 QVBLHSCUJVAKPW-SNVBAGLBSA-N 308.315 1.329 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 107579024 DQWXBGPRWVGPFS-UHFFFAOYSA-N 321.402 1.275 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C[C@@H]2OCCc3sccc32)CC1 69706842 MSSSQWURMIWGHD-JSGCOSHPSA-N 324.446 1.277 0 40 DDAB C[C@@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H](C)O1 26396145 AXRHJSFXORVVQX-VXGBXAGGSA-N 301.346 1.032 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Br)o1 44427597 KTDPBKJZVPKZJP-JGVFFNPUSA-N 315.167 1.768 0 40 DDAB COc1ccc2[nH]cc(C(=O)CN3CCC(C(N)=O)CC3)c2c1 61931299 IUOWMWLFQQAICA-UHFFFAOYSA-N 315.373 1.557 0 40 DDAB COCCCNC(=O)Cn1nc(C)c(Br)c1C 28575937 UEBUNTBDTPDSNB-UHFFFAOYSA-N 304.188 1.415 0 40 DDAB O=C(Nc1nc[nH]n1)c1ccccc1I 20494761 CTUPXSXNRUFCKL-UHFFFAOYSA-N 314.086 1.662 0 40 DDAB CCn1c(N)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 28047540 GYKJYYDTIUJFOO-UHFFFAOYSA-N 319.390 1.814 0 40 DDAB CCCS(=O)(=O)N[C@@H](C(=O)N1CCCC1)c1ccccc1 58282628 XYCRMAVTBLHZAV-CQSZACIVSA-N 310.419 1.680 0 40 DDAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)C(=O)N1CCOCC1 58293819 QAPXZCUGWZRDFX-SECBINFHSA-N 314.744 1.456 0 40 DDAB C[C@@H](CNC(=O)Cn1cccn1)N1CCc2sccc2C1 48290073 ZCAAFWNUNTVSMU-LBPRGKRZSA-N 304.419 1.508 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)Cn1cccn1 48230325 ZXGWHUHQJZDOCQ-LBPRGKRZSA-N 321.402 1.495 0 40 DDAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1F)[C@H]1CCCO1 48237588 AVMIKJQQBYDEOT-LEWSCRJBSA-N 323.368 1.609 0 40 DDAB O=C(Nc1nncs1)C1=NN(c2ccccc2)C(=O)CC1 58411376 KUJGBZLKRXPDOC-UHFFFAOYSA-N 301.331 1.660 0 40 DDAB C[C@H]1CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C[C@@H](C)O1 58416199 JOGOLRMPKVSWIY-PHIMTYICSA-N 300.399 1.926 0 40 DDAB COc1c(CN[C@@H]2CCCN(c3ncccn3)C2)c(C)nn1C 58298939 QQYCFCVBSIGZTE-CYBMUJFWSA-N 316.409 1.286 0 40 DDAB Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](C(N)=O)C2)cc1 36390023 DRCXEJNZBTWTFP-ZFWWWQNUSA-N 303.406 1.197 0 40 DDAB Cc1c(C(=O)Nc2cccc(N3CCOC3=O)c2)cnn1C 36396017 LKYSUWNFCRXCAC-UHFFFAOYSA-N 300.318 1.937 0 40 DDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](C)c1nncn1C 45380732 UPRCSOZEXXNESF-RYUDHWBXSA-N 317.393 1.902 0 40 DDAB CCOc1ccc(-c2noc(CCCC(N)=O)n2)cc1OC 2337610 BGSSQXLDEIGGEM-UHFFFAOYSA-N 305.334 1.952 0 40 DDAB CC(=O)Nc1ccc(NC(=O)c2nccnc2N)cc1Cl 12738372 GNGTZOSRIIFYBN-UHFFFAOYSA-N 305.725 1.923 0 40 DDAB Cc1cccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 45602513 PGERKNJUHWVWJN-UHFFFAOYSA-N 311.385 1.641 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(OC)cc1 3436410 ZZLSXYOQZCZGOD-JTQLQIEISA-N 308.334 1.015 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)N[C@H](C)C(=O)OC)cc1 3446301 AKVWJWCKIFKHNU-LLVKDONJSA-N 307.346 1.726 0 40 DDAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(N)=O)C1=O 3595109 BMLDGZLBVRSISX-LBPRGKRZSA-N 316.144 1.246 0 40 DDAB O=C(COC(=O)Cc1cn2ccsc2n1)NCc1ccco1 12970952 RXKLBUKFDFAGJL-UHFFFAOYSA-N 319.342 1.391 0 40 DDAB CC(C)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12901031 YVVVQCBWUCLHTF-UHFFFAOYSA-N 301.346 1.246 0 40 DDAB biogenic COc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)NC(C)C 6053972 AGKPAFRTNXZANF-CMDGGOBGSA-N 320.345 1.486 0 40 DDAB COC(=O)CCNC(=O)c1ccccc1N(C)C(=O)C1CC1 71103139 NPYMDLNFRDZJOB-UHFFFAOYSA-N 304.346 1.352 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1 65399428 YPBIVPYQIXGBQM-CQSZACIVSA-N 312.373 1.716 0 40 DDAB CCN1CCN(C(=O)NCc2nncn2-c2ccccc2)CC1 65440529 CJXUOMGSAFYQMF-UHFFFAOYSA-N 314.393 1.114 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CCO1 65591009 SJVGLWSUYCQFPU-LLVKDONJSA-N 324.406 1.076 0 40 DDAB Cc1nnc(O)c(C(=O)N2CCN(CCC(C)C)CC2)c1C 65519462 URBDMOABFWFALA-UHFFFAOYSA-N 306.410 1.603 0 40 DDAB CN(CC(=O)Nc1cccc(F)c1)c1cn[nH]c(=O)c1Cl 14188559 WDJOPOJPTVIYCY-UHFFFAOYSA-N 310.716 1.637 0 40 DDAB c1ccc(Cn2cccn2)c(CNc2ccc3nnnn3n2)c1 14142053 VQCBJTHLCKLMIF-UHFFFAOYSA-N 306.333 1.376 0 40 DDAB C[C@H]1CC(=O)c2c(OCC(=O)N3CCNC3=O)ccc(F)c21 14122328 PRLXSIHQFNIXMO-QMMMGPOBSA-N 306.293 1.446 0 40 DDAB C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F 14241753 PCHWTFSXLJZEIL-RNCFNFMXSA-N 319.279 1.646 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CC 4715228 ISIGWJLJZFEMRK-CQSZACIVSA-N 303.406 1.788 0 40 DDAB COc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1OC 4889037 SKFNBWPZRBAQNV-UHFFFAOYSA-N 310.317 1.695 0 40 DDAB CSc1nc2cc(C)n(CC(N)=O)c2c(=O)n1CC(C)C 67320129 MSAZTJASBKMENX-UHFFFAOYSA-N 308.407 1.370 0 40 DDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCC(C)C)cc1 408593827 NPYYDDPWXPICMP-LLVKDONJSA-N 314.407 1.134 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)cn1 71796841 BVZFDCUMFMPNSQ-HNNXBMFYSA-N 322.372 1.978 0 40 DDAB Cc1ccc(F)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 7920172 WPRGMKSQLRGIDK-LLVKDONJSA-N 317.407 1.993 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(CC3(O)CCCCC3)CCO2)n1 69351302 USOVMBDRPBDOKQ-MRXNPFEDSA-N 307.438 1.896 0 40 DDAB CN(CCOc1cccc(F)c1)C(=O)NCCn1ccnc1 69324828 FSHVDADREDQSLX-UHFFFAOYSA-N 306.341 1.743 0 40 DDAB O=C(c1ccc(N2CCCC2)nc1)N1CCCN2CCC[C@H]2C1 69445139 FKNZWDMWLPDBNU-INIZCTEOSA-N 314.433 1.992 0 40 DDAB Cc1cn2nc(N3CCC(N4CCO[C@@H](C)C4)CC3)sc2n1 71821714 LOFGTSRACUOXJS-LBPRGKRZSA-N 321.450 1.789 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 71827113 BTZNPWFQUQUIFT-CQSZACIVSA-N 300.362 1.908 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)c1 71865849 CYOBUDKDDYWPRK-ZIAGYGMSSA-N 302.382 1.425 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCO2 71829492 HLLARFRCOFYNFC-PWSUYJOCSA-N 304.346 1.070 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC(Nc3cccnn3)CC2)n1 71863345 NCCGYDKCSPBFPV-UHFFFAOYSA-N 314.393 1.393 0 40 DDAB c1cnnc(N2CCC[C@@H]2CNCc2cccc3c2OCO3)c1 71877237 QJXBZZPHCMGUEB-CQSZACIVSA-N 312.373 1.964 0 40 DDAB Cc1cnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc1 97081337 DSSBGAJBSKBLPO-AWEZNQCLSA-N 324.450 1.616 0 40 DDAB O=C(CN1CCn2c(nnc2C2CC2)C1)NCc1cccs1 72268367 WFLQLWHBHQIVPV-UHFFFAOYSA-N 317.418 1.349 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 72235010 MPUPDJQDFSIZEU-BXUZGUMPSA-N 316.409 1.596 0 40 DDAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCNC2=O 85224998 PSOYDCQSXGQZKM-UHFFFAOYSA-N 315.329 1.344 0 40 DDAB CN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(N)=O)nc1 95980620 JCGOWLUZVVHWIJ-UHFFFAOYSA-N 302.309 1.984 0 40 DDAB O=C(O)c1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)c1 95989552 NNVBGKFRCXTWBH-MCIONIFRSA-N 303.362 1.791 0 40 DDAB O=C(O)C[C@@H](NC(=O)COCCOc1ccccc1)C1CC1 95970301 BANRUVXRJBWZFE-CQSZACIVSA-N 307.346 1.452 0 40 DDAB O=C(NCc1nccn1C(F)F)N[C@H](CO)c1ccccc1 95995084 VAEONGUSPODBPR-LLVKDONJSA-N 310.304 1.811 0 40 DDAB Cn1nc2c(c1NC(=O)[C@H]1CS[C@]3(C)CCC(=O)N13)CCC2 95955058 RKRJFIHMGAIOGW-IAQYHMDHSA-N 320.418 1.301 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)c(=O)[nH]1 75125782 MTRKUBRDTFSGMF-STQMWFEESA-N 300.362 1.145 0 40 DDAB COCCOc1ccc(CNC(=O)c2ccc(C)[nH]c2=O)cn1 75120113 BKGOWQUJWBAOBO-UHFFFAOYSA-N 317.345 1.034 0 40 DDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)NCC2CC2)nn1 75164057 CFWMSAZVDHMJPT-CQSZACIVSA-N 316.361 1.160 0 40 DDAB Cc1cnc(CN(C)[C@@H]2CCN(CCc3cnn(C)c3)C2)o1 89702293 QIKFMBLRYZZTKJ-OAHLLOKOSA-N 303.410 1.465 0 40 DDAB C[C@@H]1SCCN(C(=O)c2cnc3sccn3c2=O)[C@H]1C 89920063 NPLVCMGTKPBWHV-IUCAKERBSA-N 309.416 1.722 0 40 DDAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCCOC)cn2C 22237107 YYBUVCHJYUVPHB-UHFFFAOYSA-N 318.373 1.704 0 40 DDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCC(C)C)cc1 408593830 NPYYDDPWXPICMP-NSHDSACASA-N 314.407 1.134 0 40 DDAB CC1(C)C[C@@H](NC(=O)CN2C(=O)Cc3ccccc32)CCO1 521394396 VATJVFFDPUKGOM-ZDUSSCGKSA-N 302.374 1.650 0 40 DDAB CCCn1cc(S(=O)(=O)N(C)Cc2ccn(CC)n2)cn1 36615309 DQABBVJEXPUKLB-UHFFFAOYSA-N 311.411 1.330 0 40 DDAB Cc1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1 35290301 YLCFLBVUAAZCHX-UHFFFAOYSA-N 304.379 1.492 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCC(C(=O)c2nccs2)CC1 72334840 GSXTYLVIBOKGEO-UHFFFAOYSA-N 318.402 1.920 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 78447573 GPWMJEZTXKNPHM-HIFRSBDPSA-N 317.389 1.218 0 40 DDAB Cc1cc(C)n(CCNC(=O)C(=O)NCc2ccc(F)cc2)n1 38717756 HIVVXRQZBXDJIW-UHFFFAOYSA-N 318.352 1.072 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2Cc2nccs2)N1c1cccnc1 503858924 MIGPOTQFHMZTRQ-OLZOCXBDSA-N 300.387 1.918 0 40 DDAB CN(Cc1nnc2n1CCCCC2)c1ncnc2c1cnn2C 45802489 DZNHWQAQMWXGIU-UHFFFAOYSA-N 312.381 1.318 0 40 DDAB CC(=O)N1CCN(c2cccc(NC(=O)c3ccon3)c2)CC1 187120199 ZPTIQKVGUDWBCC-UHFFFAOYSA-N 314.345 1.595 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)Cc1ccon1 81075312 FSRGPVFZBTWGPG-LBPRGKRZSA-N 321.402 1.845 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)Nc1nnc(C)s1 41123924 OUCSRYYVNHXDHL-UHFFFAOYSA-N 305.367 1.360 0 40 DDAB Nc1nc(-c2ccco2)[nH]c(=O)c1I 75172794 SDNWNEFCWOLTNW-UHFFFAOYSA-N 303.059 1.217 0 40 DDAB O=C(CN1C(=O)CCCc2ccccc21)NC1CCC(O)CC1 227168652 VTHMKLJKNMZGTI-UHFFFAOYSA-N 316.401 1.776 0 40 DDAB CS(=O)(=O)CC1(CN2CCc3ccccc3[C@H]2C(=O)O)CC1 574922463 VHVACZMTEYAMTF-AWEZNQCLSA-N 323.414 1.495 0 40 DDAB COc1cccc2c1CC[C@@]2(N)C(=O)NCCC1CC(OC)C1 1579292166 ZJTQCPZHFHVZPT-KJBLDROHSA-N 318.417 1.727 0 40 DDAB CNC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(N)c1 225439801 RGMCOFBXZGLHED-UHFFFAOYSA-N 324.428 1.951 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)NCc1nc2ccccc2[nH]1 225649667 KFYXASZMIRBWCG-UHFFFAOYSA-N 312.329 1.200 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96161593 NTCKQDPDSGXBDI-OKILXGFUSA-N 309.373 1.076 0 40 DDAB CC(C)Nc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 96255510 HOTAMCPWXBPGIB-UHFFFAOYSA-N 300.410 1.631 0 40 DDAB CN1CC[C@@]2(COCCN(S(=O)(=O)c3ccccc3)C2)C1 96201931 NPMBVRJTPHRBFU-OAHLLOKOSA-N 310.419 1.029 0 40 DDAB COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1ccsc1)C2 96206187 FZQFZIDKKZWHLN-ZBFHGGJFSA-N 324.446 1.349 0 40 DDAB COc1ccc([C@@H](N)c2n[nH]c(-c3cnccn3)n2)cc1OC 95533825 SNJWDSVYAJUVSH-CYBMUJFWSA-N 312.333 1.327 0 40 DDAB CC[C@@H]1N(C(=O)c2cnccn2)CCC[C@]12CCC(=O)N2C 96052428 PYWMLYVFRUCUKK-BBRMVZONSA-N 302.378 1.482 0 40 DDAB NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)O1 96470870 BCOTZYDTPABFDO-XVKPBYJWSA-N 300.717 1.242 0 40 DDAB Cc1nc(CN2CC[C@@H]3O[C@@H](C(=O)NC(C)C)C[C@@H]32)cs1 96183584 QAEYTMUCTIREIW-MELADBBJSA-N 309.435 1.708 0 40 DDAB COc1ccc(CCNC(=O)NCCc2cc(C)n(C)n2)cc1 245187616 ZRAXIAGRKZMNBI-UHFFFAOYSA-N 316.405 1.822 0 40 DDAB O[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@@]12CCCO2 257307242 SXVBXGBNSHBDSE-IRXDYDNUSA-N 305.374 1.574 0 40 DDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cn2cc(Cl)cn2)[C@H]1O 257221496 DPHNCSNIHITXPP-YRGRVCCFSA-N 315.801 1.313 0 40 DDAB CN1C[C@@H]2CN(C(=O)c3ccccc3F)CCN2C(C)(C)C1 253400330 LDRIAVRGDLLGOR-CYBMUJFWSA-N 305.397 1.676 0 40 DDAB biogenic,in-vitro O=C(Cc1c[nH]c2ccccc12)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257251192 JPUBGJUYHUCIEJ-WMZOPIPTSA-N 314.385 1.853 0 40 DDAB CO[C@H]1CN(C(=O)CN2CCCCCC2=O)CC[C@@]12CCCO2 257241498 HYGCQVJSDLBETH-YOEHRIQHSA-N 324.421 1.186 0 40 DDAB Cc1cc(-c2ncccc2C[C@H]2CCN(S(C)(=O)=O)C2)[nH]n1 257230458 GCLWUAHTPHUVFI-GFCCVEGCSA-N 320.418 1.604 0 40 DDAB O=C(c1cncs1)N1CCO[C@H](CCc2ccncn2)C1 257209562 BQWLRPPTMPGNLF-GFCCVEGCSA-N 304.375 1.407 0 40 DDAB COCC(=O)N1CCC[C@H](c2cnc(-c3ccnn3C)cn2)C1 257246764 IVSXRXINTVLALY-LBPRGKRZSA-N 315.377 1.230 0 40 DDAB COc1cc(CCC(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)on1 257218226 DCIHQNGUKMEVEQ-LBPRGKRZSA-N 320.349 1.247 0 40 DDAB C[C@H](c1ccccn1)N1CCN(c2cncc3ncnn23)CC1 274188277 QHFZOIYSHUVKEC-CYBMUJFWSA-N 309.377 1.403 0 40 DDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCCC2)C1 575402976 FDDXTVACFWZXSJ-AWEZNQCLSA-N 304.394 1.481 0 40 DDAB COCCN1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 585111880 ICRQKCWTOWQQKY-UHFFFAOYSA-N 307.394 1.550 0 40 DDAB Cc1cccc(C[C@@]2(CO)CN(C3CCOCC3)CCO2)c1 585275500 FJCVNAIHXCLHRZ-SFHVURJKSA-N 305.418 1.780 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cc(C)[nH]n1)[C@H](C)C2 585098233 SKNBDDHHFYSICV-GFCCVEGCSA-N 304.398 1.293 0 40 DDAB CC(C)Oc1cccc(/C=C/C(=O)N[C@H]2CCC(=O)NC2)c1 66647018 KZNPKFZYMYBTOB-OWNNVSBGSA-N 302.374 1.882 0 40 DDAB CN(C)C(=O)CNC(=O)Nc1ccc(F)cc1Br 48452294 JPTZCHBRYCAOBK-UHFFFAOYSA-N 318.146 1.798 0 40 DDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(CCOCC3CC3)C2)C1=O 95402628 QFIVQMNOWLSRNT-RHSMWYFYSA-N 323.437 1.455 0 40 DDAB Cc1noc(COCC(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)n1 556904511 HQEPRZPKGXUBSN-CQSZACIVSA-N 319.365 1.238 0 40 DDAB O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nn2cnnc2)cc1 14405775 NCTVSYDMZPSEAF-BQYQJAHWSA-N 323.312 1.907 0 40 DDAB O=C1C[C@H](C(=O)Nc2ccc3ccccc3c2)n2ncnc2N1 17031507 QCPRDQJDAQDRSV-CYBMUJFWSA-N 307.313 1.953 0 40 DDAB COc1ccc(F)c(CN2CCc3nc(C)[nH]c(=O)c3CC2)c1 19286422 MCGWLHSHGMZDQT-UHFFFAOYSA-N 317.364 1.827 0 40 DDAB CCc1cc2c(=O)n(CC(=O)Nc3cc(C)on3)cnc2s1 19356400 DQJPZYWOGPRVNN-UHFFFAOYSA-N 318.358 1.956 0 40 DDAB CC(=O)N[C@H](C(=O)NCCCOc1ccccc1F)C(C)C 11355105 JJWOJKVHWPOJOE-HNNXBMFYSA-N 310.369 1.872 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC(C)C 8328495 WCLNJEUKZLUPSG-UHFFFAOYSA-N 300.380 1.588 0 40 DDAB Cc1nccnc1N1CCN(c2ccc(-n3cccn3)nn2)CC1 1889139089 AXWOCXGNLHQODX-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB COCCCNC(=O)Cn1c(S)nnc1-c1cccs1 21896348 NVRPBTCRTXEUOZ-UHFFFAOYSA-N 312.420 1.448 0 40 DDAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1F 2037984218 ULRXZMSUSZLOGX-ZFWWWQNUSA-N 322.380 1.513 0 40 DDAB COCCCN1CC[C@@H]2CN(C(=O)C3=COCC3)C[C@@H]2CC1 2056224593 XQTQAHZNJUZLPC-GASCZTMLSA-N 308.422 1.498 0 40 DDAB CCOC(=O)/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 34334265 XWPSKXVHZXKCDL-XEHSLEBBSA-N 303.314 1.696 0 40 DDAB COc1cc(C(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@H]3C2)on1 1565549972 LOWGCZLOULHFGS-NEPJUHHUSA-N 319.361 1.014 0 40 DDAB CC(=O)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 6646069 JMYRQFURESEJJS-QPMXBGOESA-N 311.337 1.416 0 40 DDAB COCCN1CCC(CNC(=O)COc2ccccc2C)CC1 23014353 WBFWDUHIPQCXCT-UHFFFAOYSA-N 320.433 1.848 0 40 DDAB COCCn1cc(C(=O)O)c2nn(-c3ccccc3)c(=O)c-2c1 100871649 PAEXDKVIGGVXAL-UHFFFAOYSA-N 313.313 1.483 0 40 DDAB O=C(NC[C@]1(OCCO)CCOC1)c1ccc(Cl)s1 617718374 YAVLNVFVSQCFKG-GFCCVEGCSA-N 305.783 1.299 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 96484058 YRUKHSXXKWLSDG-YUTCNCBUSA-N 304.394 1.783 0 40 DDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(C)no2)C1=O 40487939 WLPYVPOGSLMDGH-OAHLLOKOSA-N 318.308 1.874 0 40 DDAB CCCOc1cccc(NCC(=O)NCC(=O)N2CCCC2)c1 50783269 DRHMEKOERNVYGF-UHFFFAOYSA-N 319.405 1.626 0 40 DDAB CC(C)CO[C@@H](C)C(=O)NCc1cccnc1-n1cccn1 40522349 CYVFTOXPVWCBTP-ZDUSSCGKSA-N 302.378 1.945 0 40 DDAB CC(=O)Nc1nnc(Cn2nnc(-c3ccccc3)n2)s1 101205247 NLIQXSSGDSUSCK-UHFFFAOYSA-N 301.335 1.198 0 40 DDAB Cc1c(S(=O)(=O)N(C)Cc2ccnn2C)cnn1C(F)F 20602594 KTXXDCQUNHSNOS-UHFFFAOYSA-N 319.337 1.141 0 40 DDAB COc1ccc(Br)cc1S(=O)(=O)n1ccnc1 264541 MLCLCLMYJUQNAE-UHFFFAOYSA-N 317.164 1.891 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(SC)nn32)cc1 101353777 RXXOOOAUUAHWSL-LLVKDONJSA-N 318.358 1.992 0 40 DDAB CN(C)c1ncccc1CNS(=O)(=O)N1CCCCCC1 32437986 XDKRGAJPWICDGQ-UHFFFAOYSA-N 312.439 1.358 0 40 DDAB COc1ccc2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c1 32868881 KLKFRKOJWFVIBN-LLVKDONJSA-N 320.370 1.160 0 40 DDAB Cc1cc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)[nH]n1 71920383 GFBCLOMQXGXHLM-UHFFFAOYSA-N 315.377 1.082 0 40 DDAB Cc1nnc(NC(=O)Cc2csc(N3CCCC3=O)n2)s1 18083394 ZUKNNQRIGJMPQO-UHFFFAOYSA-N 323.403 1.611 0 40 DDAB O=C(NCCCNC(=O)c1cccc(F)c1)Nc1cn[nH]c1 69815682 QFZHPEYMAADKSB-UHFFFAOYSA-N 305.313 1.490 0 40 DDAB c1ccc(CCN2CCN(c3ccc4nncn4n3)CC2)cc1 69892874 PWFOOPULNUEROA-UHFFFAOYSA-N 308.389 1.489 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)n1 76045586 KCUVTZOTIFSZOU-KBPBESRZSA-N 314.345 1.017 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)NCc1nnnn1C1CC1 76206365 BXJMKWFEGBLPCJ-LLVKDONJSA-N 300.366 1.911 0 40 DDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccco1 3510866 DNCPAGONCBFEAW-UHFFFAOYSA-N 303.270 1.402 0 40 DDAB CC(=O)N1CCN(CCC(=O)N[C@H](C)c2ccccc2)CC1 22197695 CPVFIWXZQFKYRO-CQSZACIVSA-N 303.406 1.418 0 40 DDAB NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1Cl 4755461 MUHAIPFLMQHAHP-OZVVPTBGSA-N 316.744 1.750 0 40 DDAB CCc1ccc(NC(=O)[C@@H]2CC(=O)NC(C)=C2C(=O)OC)cc1 4936863 VPMYJEFTFGCOMV-CYBMUJFWSA-N 316.357 1.771 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)NC(=O)NCC(C)C)c1 6023413 KATNGFGVBRTYPP-UHFFFAOYSA-N 322.361 1.399 0 40 DDAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O 6951434 UREVWXOKMMWUSX-UXBLZVDNSA-N 320.301 1.071 0 40 DDAB CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104129152 KEPMHUZELDLQCA-QCQGSNGOSA-N 303.406 1.167 0 40 DDAB Cn1cc(CCNC(=O)Nc2cccnc2N2CCCC2)cn1 46992893 RNKLKXPXXMJBEG-UHFFFAOYSA-N 314.393 1.780 0 40 DDAB O=C(NCCc1cc(F)cc2c1OCOC2)N1CCC[C@H](O)C1 47070243 KQPIEPWMDNEJBJ-AWEZNQCLSA-N 324.352 1.401 0 40 DDAB O=C(NCCO)c1cnn(-c2ccccc2F)c1-n1cccc1 97175822 YASMGHUKOTURES-UHFFFAOYSA-N 314.320 1.524 0 40 DDAB Cc1ccn(CC(=O)NCCc2c(F)cccc2F)c(=O)c1 72302035 WSAIMLUDKAJSKT-UHFFFAOYSA-N 306.312 1.794 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc(Br)c[nH]1 23644917 NZCYLLJWQIZHAP-UHFFFAOYSA-N 320.150 1.750 0 40 DDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCC(F)(F)F)c1 25100799 HMMGHDQQGSQZNN-UHFFFAOYSA-N 310.297 1.659 0 40 DDAB CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cnn(C)c1 25310063 PEMXIGXXRFUDEG-UHFFFAOYSA-N 307.375 1.855 0 40 DDAB CCOC(=O)c1cn(C)nc1NC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 108390609 DVHVMFFWSNIQJP-QSFUFRPTSA-N 303.362 1.827 0 40 DDAB CCn1c(SCC(=O)N2CCCC2)nc2cc(C)[nH]c2c1=O 57521719 QLTDPBVSXNVDNC-UHFFFAOYSA-N 320.418 1.767 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc[nH]c1=O 57615345 SLROCLNTTIPZKL-NSHDSACASA-N 300.314 1.287 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnnn1C 3216151 FHGKTCFEQFRUPE-LLVKDONJSA-N 305.407 1.440 0 40 DDAB COc1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)c(OC)c1 44600057 INYMTVFKOYRDLJ-UHFFFAOYSA-N 316.357 1.675 0 40 DDAB CCOc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 26505255 XYOVHLOQDKPFIP-NEPJUHHUSA-N 312.416 1.739 0 40 DDAB CCOc1ccc(NCC(=O)NC(N)=O)c(C(F)(F)F)c1 58177700 QZCQVGGWWMDHCU-UHFFFAOYSA-N 305.256 1.711 0 40 DDAB CN(CCc1ccncc1)C(=O)c1sccc1-n1cnnn1 58158150 DKNNZBHFJAWTFQ-UHFFFAOYSA-N 314.374 1.434 0 40 DDAB COC(=O)N(C)CC(=O)NCc1ccc(Cn2cccn2)cc1 48064522 QASZOLMPHXSSPK-UHFFFAOYSA-N 316.361 1.246 0 40 DDAB COc1cccc([C@@H](CNC(=O)NC2CC2)N2CCOCC2)c1 36075782 GLIGYFJALQWBLL-MRXNPFEDSA-N 319.405 1.530 0 40 DDAB Cc1cc(N2CCN([C@H]3CCOC3=O)CC2)nc(C(C)C)n1 44894324 FPMRRSCXDUVLCP-ZDUSSCGKSA-N 304.394 1.346 0 40 DDAB CC1CCN(C(=O)[C@@H](C)N2CCN(c3nccs3)CC2)CC1 44894373 MLQMUPAWPVEMAV-CQSZACIVSA-N 322.478 1.912 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CCO1 44967199 LTUCCPKMQOEDQQ-HIFRSBDPSA-N 314.389 1.940 0 40 DDAB CC[C@](C)(CNC(=O)c1cc(C2CC2)on1)N1CCOCC1 44935037 BWJISKIGPMBYHH-MRXNPFEDSA-N 307.394 1.783 0 40 DDAB CCn1c(=O)n(CC(=O)NC2CCOCC2)c2ccccc21 48262630 FKTUCTULPCNFIM-UHFFFAOYSA-N 303.362 1.118 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1Cc1nc(-c2ccco2)no1 54986910 QNIQXOOCVLBKNJ-LLVKDONJSA-N 302.334 1.573 0 40 DDAB O=C(NCCCOc1ccccc1)c1cnc2ccccn2c1=O 48274976 OUURYHFBVGWUII-UHFFFAOYSA-N 323.352 1.893 0 40 DDAB Cc1snnc1C(=O)N1CCN(C(=O)c2ccco2)CC1 28575648 RTGWYHJPZKVOLA-UHFFFAOYSA-N 306.347 1.038 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)Cn2cccn2)c1 45742035 DYGWVVVXAROMLF-LLVKDONJSA-N 323.374 1.037 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COCc1ccco1 45821651 DQBIRQNBNQEFDY-SNVBAGLBSA-N 306.274 1.267 0 40 DDAB C[C@@H](OC(=O)CCNC(=O)c1ccco1)C(=O)NC1CCCC1 12938715 XMDQYRNDBOKMBK-LLVKDONJSA-N 322.361 1.390 0 40 DDAB CCNC(=O)c1cccc(NC(=O)[C@H](NC(N)=O)C(C)C)c1 12933864 GTFYJHFOEIRSNS-GFCCVEGCSA-N 306.366 1.068 0 40 DDAB CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)cn1 27938315 RYLMOJBNXNTTET-UHFFFAOYSA-N 314.389 1.874 0 40 DDAB CCOCCS(=O)(=O)N1CCCc2c(C(=O)O)cccc21 63153717 HDZQNJBMPQAJKD-UHFFFAOYSA-N 313.375 1.504 0 40 DDAB O=C(NS(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 49514999 SEXSSYPAIDOBOD-UHFFFAOYSA-N 310.762 1.995 0 40 DDAB CCN(CCC(F)(F)F)Cc1nc2c(cnn2C)c(=O)[nH]1 65413974 VDAWDDSQDMMVKB-UHFFFAOYSA-N 303.288 1.431 0 40 DDAB C[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C)O1 14017108 AFFQKASEEJAJFC-PHIMTYICSA-N 301.346 1.183 0 40 DDAB COC(=O)[C@@H](NC(=O)Cn1cccn1)c1cc(F)ccc1F 65513336 NYYTWQPWTUDICJ-ZDUSSCGKSA-N 309.272 1.192 0 40 DDAB CC(C)c1noc([C@H](C)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 65577510 FUSLTURQTIPXNA-MJBXVCDLSA-N 308.426 1.785 0 40 DDAB CCOc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 65590466 PVHVLDDTSKSZDA-NSHDSACASA-N 312.391 1.702 0 40 DDAB CC1CCC(O)(CN2CCN(C(=O)c3ccncc3)CC2)CC1 93256431 RTTYDTMODKSZNX-UHFFFAOYSA-N 317.433 1.781 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2noc(-c3cccs3)n2)C1=O 67099591 MVPGPBINMJKYQR-CYBMUJFWSA-N 322.346 1.255 0 40 DDAB Cc1ccc(CN(C)C(=O)NCCNC(=O)c2ccn[nH]2)s1 96002216 XJTZEWGMXOZXTE-UHFFFAOYSA-N 321.406 1.351 0 40 DDAB C[C@@H]1CN(c2ccc(CNCc3ncc[nH]3)cn2)C[C@@H](C)O1 67668939 NTFRCVIFPLOQNW-CHWSQXEVSA-N 301.394 1.708 0 40 DDAB C[C@H]1CN(c2ccccc2NC(=O)c2n[nH]c(O)n2)C[C@@H](C)O1 80399683 ZKUJPKADMQWWFI-AOOOYVTPSA-N 317.349 1.376 0 40 DDAB CCCNC(=O)COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 7478119 NUBWDUYMAMQRFC-ZDUSSCGKSA-N 310.350 1.103 0 40 DDAB COC(=O)c1ccc(CCC(=O)NCc2cnn(C)c2)cc1 68305528 KAZQPDHTRYQTON-UHFFFAOYSA-N 301.346 1.456 0 40 DDAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 16642657 DCFCVNKEVWVPOU-UHFFFAOYSA-N 318.417 1.963 0 40 DDAB CC[C@@](C)(NC(=O)C1=NO[C@H](c2ccccc2)C1)C(=O)OC 69322919 YOZKVCPVVGAGGZ-XJKSGUPXSA-N 304.346 1.962 0 40 DDAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)[C@H]1COCCO1 69435476 BBENYUSKLVTYOV-LLVKDONJSA-N 309.272 1.709 0 40 DDAB Cc1nccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)n1 71924632 NJJQTAGOFFXMAF-RYUDHWBXSA-N 319.409 1.374 0 40 DDAB Clc1ccc2nc(CN[C@H]3CCc4ncnn4C3)cn2c1 69589924 MOAYEPZJHDFRDA-NSHDSACASA-N 302.769 1.684 0 40 DDAB COC[C@@H](C)NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69536271 QQLNVHLHDNMOEG-KGLIPLIRSA-N 321.421 1.856 0 40 DDAB O=c1[nH]c(CN2CCC[C@H]2Cn2cccn2)nc2ccccc12 69626999 GOQSCUGENCQMQI-ZDUSSCGKSA-N 309.373 1.784 0 40 DDAB COc1cc(C2(C(=O)N(CC(N)=O)C(C)C)CC2)ccc1C 69707768 IWXRTWHDQBGYTR-UHFFFAOYSA-N 304.390 1.758 0 40 DDAB CCc1noc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)n1 69709752 BOJZABVHSYQBTH-UHFFFAOYSA-N 305.363 1.562 0 40 DDAB COc1ncnc(N)c1CNC[C@H]1CCO[C@H]1c1ccccc1 83915174 ADAGMHGTDIENTC-HIFRSBDPSA-N 314.389 1.935 0 40 DDAB Cc1cc(C)cc(-n2nc(C(=O)O[C@@H](C)C(N)=O)cc2C)c1 97037905 OQPGAKRMFUMUHO-LBPRGKRZSA-N 301.346 1.828 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 72235505 LDZYPBGDRBLPSA-RISCZKNCSA-N 302.382 1.516 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc2nnnn2n1 72276549 KFQCGXVFCYLNPC-VIFPVBQESA-N 318.772 1.556 0 40 DDAB CC(=O)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95397638 FLTQZWFDENZARL-MRXNPFEDSA-N 301.390 1.346 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N1CCC(C2(C)OCCO2)CC1 95432285 NVDSWJJBAVUJKW-SNVBAGLBSA-N 324.343 1.528 0 40 DDAB O=C(O)CCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 95424247 KEYKUIWOHDXWMP-UHFFFAOYSA-N 310.394 1.443 0 40 DDAB COc1ccc(N[C@H]2CCCN(c3cnn(C)c3)C2=O)cn1 98014346 QOUOEUSTWZFRCM-ZDUSSCGKSA-N 301.350 1.431 0 40 DDAB O=C(NCC1(c2ccccc2Cl)CCC1)NC(CO)CO 95982200 WOELNOOTIYUNGX-UHFFFAOYSA-N 312.797 1.414 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C1CC1 23111349 HPQWLASRESVLPD-IUODEOHRSA-N 322.430 1.754 0 40 DDAB Cn1c(=O)c(CN[C@H]2CCc3n[nH]cc3C2)cc2ccccc21 1560408879 BOKPHRAMDXREHM-HNNXBMFYSA-N 308.385 1.909 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 36752451 DZPDYFSWBQWVQX-UHFFFAOYSA-N 314.345 1.663 0 40 DDAB C[C@H]1C[C@@H](c2ccccc2F)N(CCN2C(=O)CNC2=O)C1 75900696 RVTYUYUWMDHXRW-FZMZJTMJSA-N 305.353 1.760 0 40 DDAB CCOCCCN1CC[C@@H](NC(=O)c2cccn2C)[C@H](C)C1 79361193 ZHZYNXXOKJSDSE-HUUCEWRRSA-N 307.438 1.892 0 40 DDAB COCCS(=O)(=O)NCc1nc(C(F)(F)F)cs1 77395719 FENTYAYIIFFHGP-UHFFFAOYSA-N 304.315 1.228 0 40 DDAB COCCS(=O)(=O)c1ccccc1C(=O)NC1CCCC1 35655456 WUUFPQPUIMLMEI-UHFFFAOYSA-N 311.403 1.779 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)N2CCO[C@@H](C)C2)cc1 78925787 IAMOGTSSAOSNOY-ZDUSSCGKSA-N 305.378 1.155 0 40 DDAB CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN 79391115 MSLXBJIHXNQASN-CYBMUJFWSA-N 313.442 1.972 0 40 DDAB Cc1nn(C)c2cn([C@@H](C)C(=O)N(C)Cc3ccnn3C)nc12 40715016 BTEDHTWHTKPXCP-NSHDSACASA-N 315.381 1.031 0 40 DDAB CN(C)c1ccnc(C(=O)N2CCNC[C@H]2c2ccncc2)c1 567260677 MNGPITQRAYSCKJ-INIZCTEOSA-N 311.389 1.329 0 40 DDAB NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 223295985 VTBBTTGQACGLQV-UHFFFAOYSA-N 324.333 1.491 0 40 DDAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)nn2)CC1 44443171 NYHDNZVEGVMQBL-UHFFFAOYSA-N 319.796 1.739 0 40 DDAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)N1CCOCC1 48412095 IDCQLPJNLHCXFZ-SNVBAGLBSA-N 302.421 1.244 0 40 DDAB CSCC[C@](C)(O)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 75157613 ANOIMUKINLULRV-LRDDRELGSA-N 324.446 1.484 0 40 DDAB COCN1C(=O)CCc2cc(NCc3ccnn3C)ccc21 191953342 MNMUWEOXUSCTDG-UHFFFAOYSA-N 300.362 1.915 0 40 DDAB CC(C)(C)C(=O)N1CCN(c2ccc(-n3cnnc3)cc2)CC1 226280590 ZBYIWQIKHCCDKU-UHFFFAOYSA-N 313.405 1.962 0 40 DDAB COc1ccccc1[C@H](CNC(=O)Nc1cn[nH]c1)N(C)C 49789640 MTPMZKXGIMKIBU-ZDUSSCGKSA-N 303.366 1.843 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(=O)NCC(=O)O)cc1 225569015 FRIKNGAIQQWXJL-GUYCJALGSA-N 304.390 1.969 0 40 DDAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCCO 222756703 QEWQIOBUJJHLQT-CQSZACIVSA-N 306.406 1.558 0 40 DDAB CCc1nc(CNC2CCN(S(C)(=O)=O)CC2)cs1 49021216 RSHLEVSGWCKIBN-UHFFFAOYSA-N 303.453 1.219 0 40 DDAB O=C(NC[C@@H]1OC[C@@H]2CN(Cc3nccs3)CC[C@@H]21)C1CC1 96057587 CUOQKHMLENJREV-IHRRRGAJSA-N 321.446 1.506 0 40 DDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)C1=CCCC1 97227937 CGNKUQIPFWCATH-UHFFFAOYSA-N 308.403 1.333 0 40 DDAB CN(C)C(=O)NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2 96108300 XLOJUROWSUZPDQ-AEFFLSMTSA-N 317.433 1.449 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@H]3C2)nn1 96065458 IMTCTKOKDBUFPR-IHRRRGAJSA-N 304.394 1.293 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)c1ccncc1)CC2 96058805 UTVQBELVRKFZIO-UHFFFAOYSA-N 311.389 1.569 0 40 DDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 96220667 NMCTZNDEERQCDV-ZDUSSCGKSA-N 319.405 1.551 0 40 DDAB CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccccc3)C[C@H]12 96064342 BYYQOGVMURFGFE-YESZJQIVSA-N 317.433 1.795 0 40 DDAB Cn1cccc1CNC(=O)Cn1nc2c(cc1=O)CCCCC2 96345288 FNUZRBXQHMOCKD-UHFFFAOYSA-N 314.389 1.167 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(c3ncc(F)cn3)C2)n1 96065633 HRHPLTKRTXVEOL-MVWJERBFSA-N 305.313 1.459 0 40 DDAB C[C@H]1C[C@H](c2ccsc2)CN1C(=O)NCCN1CCOCC1 96421411 AEAUODVEZXUHDI-ZFWWWQNUSA-N 323.462 1.968 0 40 DDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)NC3CC3)CC2)N1 96199973 IZMDHBRKLXTGRX-AWEZNQCLSA-N 314.389 1.392 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@H]3C2)nn1 96043187 VEGPGQGIHNXNRY-ZNMIVQPWSA-N 316.405 1.391 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1n[nH]c(=O)[nH]1 96439214 AWOLRRAYHPLNEW-SECBINFHSA-N 321.768 1.150 0 40 DDAB Fc1cnc(N2CCO[C@@H]3[C@H](Cn4ccnc4)CC[C@@H]32)nc1 96082625 JDRAHXOWXAXKNN-FPMFFAJLSA-N 303.341 1.496 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(F)cc(F)c1 96412825 SVBUJGWWVJCJIZ-IUCAKERBSA-N 303.330 1.612 0 40 DDAB Cn1cc(N2C[C@@H]3CN(Cc4ccsc4)C[C@@H]3C2=O)cn1 96245239 KVKXVUWVJXRGPF-JSGCOSHPSA-N 302.403 1.576 0 40 DDAB O=C(c1cocn1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 247887219 XJYFUTMPAYVKQE-GFCCVEGCSA-N 315.329 1.522 0 40 DDAB C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)N[C@H](CO)Cc1ccc(O)cc1 249099797 ZPJVDEPDERDOLN-KQTLUZQSSA-N 320.433 1.673 0 40 DDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@H]3CCOC3)c2)C1 246203737 JMQCDLHMEOLJFJ-SJORKVTESA-N 317.433 1.262 0 40 DDAB Cc1nc[nH]c1CN1CCC[C@H]1c1nccc(CN(C)C)n1 257273677 NHQXJJBNFVRNJW-HNNXBMFYSA-N 300.410 1.907 0 40 DDAB COCCOCC(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCC[C@H]1[C@]3(C)C2 257316118 VEEQMWAMSRSBCM-QSJFSLAZSA-N 324.421 1.040 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccc(C(F)(F)F)cc1 257274578 NLQVAIFZXGZENQ-IJLUTSLNSA-N 303.280 1.710 0 40 DDAB Cc1cc(C)nc([C@H]2CCN(C(=O)COc3cccnc3)C2)n1 257222338 DSWZQYAGFVIKKV-AWEZNQCLSA-N 312.373 1.883 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2C)CC[C@@H]1O 257314871 UYWQTZLWHYXZGC-HOTGVXAUSA-N 304.390 1.026 0 40 DDAB Cn1ccnc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257243640 IHXDGDXDBJNNGP-RDJZCZTQSA-N 319.380 1.964 0 40 DDAB Cc1cc([C@H](C)NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)o1 252507941 WXUGWGRDOKGMOG-CMPLNLGQSA-N 314.407 1.786 0 40 DDAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ccnc(O)n2)C1 257258135 KSMPSZXAWSCREM-SNVBAGLBSA-N 313.361 1.414 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 257337871 YUUHWASHIOVNIM-AWEZNQCLSA-N 312.373 1.799 0 40 DDAB COc1ccccc1[C@H]1CN(Cc2ncc[nH]2)CCN1C(C)=O 257228577 FUJUDZALHCUVBR-OAHLLOKOSA-N 314.389 1.824 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1cccnc1)c1ccsc1 96097459 GVVSOVPCZOEFOV-LBPRGKRZSA-N 305.359 1.586 0 40 DDAB COC[C@@H]1CCn2nccc2CN1Cc1ccc(CO)cc1 585098388 XJGQTSCKHRLAGL-KRWDZBQOSA-N 301.390 1.796 0 40 DDAB CN1CCO[C@@H](CNCc2ccc(Br)s2)C1 65614984 NNDFIDAETAONOR-VIFPVBQESA-N 305.241 1.931 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1ccc(C)cc1Cl 48667410 HRQMJXFZEOUYAD-UHFFFAOYSA-N 314.798 1.738 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)c3scnc3C)C2)nn1 1565522736 YPGYNDVEHUERBU-NSHDSACASA-N 307.379 1.277 0 40 DDAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 75161518 YPZCYJXGQOGSGL-CYBMUJFWSA-N 317.389 1.300 0 40 DDAB Cc1cc(CN2CCN(C(=O)Nc3ccn(C)n3)CC2)on1 78442188 WOQCWGDIXKIXTP-UHFFFAOYSA-N 304.354 1.066 0 40 DDAB CNC(=O)c1cccnc1NCc1ccc(C(=O)NC2CC2)cc1 96429234 ZUMWYOOGQWKSAB-UHFFFAOYSA-N 324.384 1.946 0 40 DDAB Cc1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc(C)n1 40497110 HUEPXCQVLDVFOH-AWEZNQCLSA-N 304.394 1.169 0 40 DDAB Cc1nnc(NC(=O)NCCOc2ccc3c(c2)OCO3)s1 40554057 ILCMWGVFBOSTKJ-UHFFFAOYSA-N 322.346 1.776 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NCCOC(F)(F)F)c1 198530798 GQURBGUUTCQUCK-UHFFFAOYSA-N 313.253 1.200 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NN1C(=O)c2ccccc2C1=O 5773909 NAMYQYMAVKXFDP-AWEZNQCLSA-N 310.309 1.483 0 40 DDAB Cn1ccnc1C1(O)CCN(C(=O)c2ccc(F)cc2F)CC1 12114519 IDPGFQOCDYQVHF-UHFFFAOYSA-N 321.327 1.822 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199394 TXGKWKBRBUKFCY-SNVBAGLBSA-N 310.375 1.417 0 40 DDAB CC(C)n1c(=O)n(CC(=O)NCc2ccco2)c2cccnc21 12220591 WSYRJRBFIDTYAV-UHFFFAOYSA-N 314.345 1.688 0 40 DDAB COc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)nn1 12444082 YDTSTNRZZBCKMH-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB C[C@@H](CN1CCCCCC1)NC(=O)c1nc2ncccn2n1 19456155 DMGXPZZJVIVIHP-LBPRGKRZSA-N 302.382 1.119 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 35900109 OABOSBXICQEOPN-RQJABVFESA-N 305.330 1.902 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc2ccccc2c1=O 1328155 BLEMYUNAFVRLSA-VXGBXAGGSA-N 300.362 1.581 0 40 DDAB O=C(NC(=S)NC[C@@H]1COc2ccccc2O1)c1ccco1 5776644 YPMVZPPITWMWFP-SNVBAGLBSA-N 318.354 1.724 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)c1C 4280107 NUZPWCCIYOWCOD-DZGCQCFKSA-N 320.389 1.854 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 245053479 OWBSHEPYBQPSNP-RBSFLKMASA-N 313.357 1.816 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 4144694 MEOIQQFSWSCSJZ-KGYLQXTDSA-N 305.378 1.883 0 40 DDAB CCN(Cc1ccccc1)C(=O)CSc1nc(N)nc(N)n1 5831817 BTVOACYRNYRGPL-UHFFFAOYSA-N 318.406 1.177 0 40 DDAB COc1ccc(CNc2cc(-n3cncn3)ncn2)c(OC)c1 1888913638 IKARMDSNNCQITA-UHFFFAOYSA-N 312.333 1.687 0 40 DDAB CCN=c1nc(N2CCN(c3ccc(C)nn3)CC2)cc(C)[nH]1 1889089374 OAHACJAIODESPU-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB CSc1nccc(N2CCO[C@H](C(=O)N3CCCCC3)C2)n1 1889098647 DGLXXFASCUPDKD-LBPRGKRZSA-N 322.434 1.416 0 40 DDAB CCn1nnc2c1CCN(C(=O)C1(F)CC1)[C@@H]2COCC1CC1 1614947705 LGJIVAVYFSDBHZ-CYBMUJFWSA-N 322.384 1.653 0 40 DDAB CO[C@@H]1CCN(C(=O)c2csc(C)n2)[C@H]1Cc1cnn(C)c1 1614932101 ABFACMXFGZNEAL-UONOGXRCSA-N 320.418 1.657 0 40 DDAB COC(=O)[C@@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 4026479 WNBOFWNHZSGIQT-FRRDWIJNSA-N 323.370 1.005 0 40 DDAB biogenic Cc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1F 5251221 NAVRSUCEKVSCKX-UHFFFAOYSA-N 321.352 1.201 0 40 DDAB CCNc1nc(N[C@@H](C)CC)nc(Oc2ccc(=O)[nH]n2)n1 9424503 MUVUJRGEJMJUIA-QMMMGPOBSA-N 305.342 1.389 0 40 DDAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NC1CCCC1 10254188 KCDOWQUWENBBCS-UHFFFAOYSA-N 315.329 1.529 0 40 DDAB O=C1NCCN1C(=O)NC[C@H](c1ccsc1)n1cccn1 575613724 KLEPUSXCBMMAKS-LLVKDONJSA-N 305.363 1.269 0 40 DDAB Cc1ccc(=O)n(CC2CCN(C[C@@H]3CCCOC3)CC2)n1 585502801 YFSVXGQUEUXBNL-INIZCTEOSA-N 305.422 1.690 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccoc2)cc1F 75171948 FAEZHEYFDYNLOH-CYBMUJFWSA-N 306.293 1.515 0 40 DDAB CN1N=C(C(=O)Nc2ccc(N3CCCCC3)nc2)CCC1=O 40485641 QPADOCDTKSLAMF-UHFFFAOYSA-N 315.377 1.619 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 40525167 GLQOLQNQPVZRPX-UHFFFAOYSA-N 322.386 1.554 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCO[C@H]2CCCC[C@H]21 40553890 IJMSNXHXCWEZRV-CABCVRRESA-N 300.362 1.601 0 40 DDAB O=S(=O)(NCCCn1cncn1)c1ccc(F)c(F)c1F 40515895 HPGIQHHXGLVCLZ-UHFFFAOYSA-N 320.296 1.064 0 40 DDAB Cc1cc(NC(=O)c2nn(C)cc2C(=O)O)n(CC(F)F)n1 20616226 FDYDFUYNAXIOKT-UHFFFAOYSA-N 313.264 1.141 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)c2c(=O)[nH]c(=O)[nH]c2n1 20607271 HBCBDBLSKJQBLL-GZMMTYOYSA-N 316.361 1.228 0 40 DDAB O=C(O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 32185759 WOHAPEPOGUHCQJ-LLVKDONJSA-N 301.339 1.844 0 40 DDAB Cn1c(S)nc2cc(C(=O)NC3CCCC3)ccc2c1=O 102177480 NBCMFDSFQIMBBD-UHFFFAOYSA-N 303.387 1.895 0 40 DDAB CCOc1ccc(-c2noc(CN3CCNC(=O)C3)n2)cc1 32777067 FNMURRGYORGDGY-UHFFFAOYSA-N 302.334 1.067 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102233038 NRTXGKDVQAIEOG-UUTMEEIUSA-N 321.354 1.996 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@@H]1c1nnc2n1CCCCC2 32970670 SQFODHDWOWAVTM-CHWSQXEVSA-N 320.393 1.083 0 40 DDAB CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1098591 GOIUZGTZGFRRHX-UHFFFAOYSA-N 310.419 1.612 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CCC[C@H]3Cc3ccccc3)nc21 52827176 MYQZDZVHYSDCBP-AWEZNQCLSA-N 323.400 1.864 0 40 DDAB CCC(=O)N1CCC[C@@H](C(=O)N(C)c2cccnc2N(C)C)C1 79722547 RSSVLETZQRIECX-CYBMUJFWSA-N 318.421 1.759 0 40 DDAB CCOn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21 545962 BUASXNIJKNUJMO-UHFFFAOYSA-N 312.325 1.759 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1Cl 4065810 MGURCIRDLGQAPO-KGOITJQVSA-N 316.744 1.792 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1ccccc1 42026723 FAUZWLDVNNHFOU-LSDHHAIUSA-N 307.415 1.655 0 40 DDAB COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N1CCCC1 58017028 LXEPGKCLRIDHPW-LBPRGKRZSA-N 305.378 1.505 0 40 DDAB COC1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 54483617 BVPXDUGMKAKHHZ-HNNXBMFYSA-N 315.377 1.094 0 40 DDAB CCCCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 12566905 LIRORDCYJFCRPW-UHFFFAOYSA-N 302.330 1.601 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1 97197683 DKYTWKNYVYMGHM-LBPRGKRZSA-N 319.386 1.031 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(CCc2cccs2)CC1 55643957 MPHAQKPSELIKHO-UHFFFAOYSA-N 317.414 1.437 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cnn(C)c2)cc1 25304704 HYDWQEJAZMHGME-UHFFFAOYSA-N 307.375 1.531 0 40 DDAB O=C(Cn1ccccc1=O)Nc1cccc(N2CCCC2=O)c1 25403565 BDKLKXUSMXMSOR-UHFFFAOYSA-N 311.341 1.614 0 40 DDAB Cc1cc(COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)on1 25401125 PZIFOHQSVADARS-SNVBAGLBSA-N 314.297 1.711 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CC(=O)N(C2CCCC2)C1 97197772 BGTQVIZETBUOBF-OLZOCXBDSA-N 316.405 1.105 0 40 DDAB CC[C@H]1CN(C(=O)c2ccc(C)nc2C)CCN1C[C@H](C)O 107506498 LGFUSQDACDONBB-ZFWWWQNUSA-N 305.422 1.616 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(C(N)=O)CC2)cc1 3284778 BCCJGTBMJNTICG-LLVKDONJSA-N 317.389 1.414 0 40 DDAB O=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CN1 48094414 JGKOQAYBKPKZKI-KGLIPLIRSA-N 319.405 1.449 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 48232223 GHOXXIRTLAIWED-JTQLQIEISA-N 300.380 1.366 0 40 DDAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O)C1CC1 58181755 VPVXGAFOGWQEGP-INIZCTEOSA-N 319.336 1.214 0 40 DDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 107714587 PLICQZUYANGQLV-KKUMJFAQSA-N 308.378 1.022 0 40 DDAB CN(Cc1cnn(C)c1)C[C@H](O)c1ccc2c(c1)OCCCO2 44974461 CMNGBYHQCJIZBE-HNNXBMFYSA-N 317.389 1.747 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCC(C)CC2)no1 44938593 JGIYMKIGFMDHCJ-LBPRGKRZSA-N 314.407 1.545 0 40 DDAB Cc1nn(C)c(Oc2ccccc2)c1CNCC(=O)N(C)C 58314827 GPZDVVZQGGSKMC-UHFFFAOYSA-N 302.378 1.699 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1 58406147 QCKMCGUHMIHXAS-GFCCVEGCSA-N 300.399 1.587 0 40 DDAB Cc1csc(CNC(=O)Cn2ncc3ccccc3c2=O)n1 29885641 AUSACRPNAYTMFQ-UHFFFAOYSA-N 314.370 1.478 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1CC(=O)N1CCNC1=O 58975789 FFKZYLDIINYESN-AWEZNQCLSA-N 317.389 1.254 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC[C@@H]2c2ccsc2)n1 48366264 HGOKMIYRBMBZKY-LLVKDONJSA-N 304.423 1.918 0 40 DDAB Cc1nc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)no1 69698814 PFXGKQWVUFCKJC-AWEZNQCLSA-N 306.410 1.993 0 40 DDAB O=C(Nc1nncs1)NC1CCN(c2ccccn2)CC1 45948696 CLIHXTLUMHKTFY-UHFFFAOYSA-N 304.379 1.724 0 40 DDAB CN(C)[C@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccco1 3420777 RACRPBNIJVJILH-GFCCVEGCSA-N 319.386 1.621 0 40 DDAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)c(F)c1 12941360 XKEOAKDUIZHHLK-UHFFFAOYSA-N 312.322 1.972 0 40 DDAB Cc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@@H](C)O)cc1F 69700941 RNMDKAHOLZWLRU-CZUORRHYSA-N 308.397 1.986 0 40 DDAB O=C(Cn1cnnn1)N[C@@H](COc1ccccc1)c1ccccc1 69812204 RZCIATZARZMGGA-INIZCTEOSA-N 323.356 1.610 0 40 DDAB O=C(COc1ccccc1P(=O)(O)O)NC1CCCCC1 13624745 BDUNSMHXJWSVKK-UHFFFAOYSA-N 313.290 1.317 0 40 DDAB in-vitro Cc1nc2nc(NC(=O)c3ccc(F)cc3)nn2c(O)c1C 18221956 RZBBAFMONLDFMD-UHFFFAOYSA-N 301.281 1.838 0 40 DDAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC1CC1 5353125 BMRSOHKXHRVUME-SNVBAGLBSA-N 303.391 1.730 0 40 DDAB O=C(/C=C/c1cc(F)cc2c1OCOC2)NC1=NCCS1 14129549 OOKWXVSIWABPQS-OWOJBTEDSA-N 308.334 1.924 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccccc1Cl 14261826 QATBGMJFINDXFW-UHFFFAOYSA-N 321.764 1.274 0 40 DDAB NC(=O)NC(=O)CCCN1CCCN(Cc2cccs2)CC1 65950419 BXJNWTNPGDXBKA-UHFFFAOYSA-N 324.450 1.231 0 40 DDAB CC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc2c1=O 6671902 KCBCOQJHJPGWFB-GFCCVEGCSA-N 300.362 1.583 0 40 DDAB OCCNC[C@@H](O)COC(c1ccccc1)c1ccccc1 6937428 LUSDNFWGFGFZPO-QGZVFWFLSA-N 301.386 1.735 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccco2)cc1 20768351 SALZNBNMRIDLPU-UHFFFAOYSA-N 308.359 1.460 0 40 DDAB CCNC(=O)Nc1cccc(NC(=O)c2cccc[n+]2[O-])c1 67300682 ODMFEURVZBYPPN-UHFFFAOYSA-N 300.318 1.714 0 40 DDAB CCc1ncc2c(n1)CN(C(=O)c1cc(C)c(C)n(C)c1=O)C2 67713352 ADXPBXUIXPTOFZ-UHFFFAOYSA-N 312.373 1.511 0 40 DDAB CCS(=O)(=O)CCNC(=O)Cc1c[nH]c2cc(C)ccc12 68056977 UDNQGQFRQJIZGU-UHFFFAOYSA-N 308.403 1.570 0 40 DDAB O=c1[nH]nc(SCc2cccc(Br)c2)c(=O)[nH]1 7998522 MASBGNDCPYEJOK-UHFFFAOYSA-N 314.164 1.513 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)Cn1ncc2ccccc2c1=O 69349637 BOELBJJRLSLYBO-QGZVFWFLSA-N 323.396 1.889 0 40 DDAB O=C(c1c[nH]c2ccccc2c1=O)N1CCN2CCCC[C@H]2C1 71839801 BJIAIZOBHPBQKL-ZDUSSCGKSA-N 311.385 1.838 0 40 DDAB Cc1noc2ncc(NC(=O)[C@H]3CCc4nnc(C)n4C3)cc12 84067942 DNRDLCDKGAGMCG-JTQLQIEISA-N 312.333 1.632 0 40 DDAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cnccn1 96998980 RKVYUETXBUCUMS-LWAQFNMXSA-N 322.368 1.884 0 40 DDAB O=C(NCc1cccnc1)N1CCN(Cc2ccccn2)CC1 96997366 GQNJBWLDSXXKBO-UHFFFAOYSA-N 311.389 1.504 0 40 DDAB Cc1cc(C(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)n(C)n1 97036637 YCWZXUSCXBTIDP-LBPRGKRZSA-N 309.272 1.562 0 40 DDAB CC(C)N1N=C(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CCC1=O 72273254 BQKXLFHOAGERDB-GFCCVEGCSA-N 317.393 1.503 0 40 DDAB O=C(CNCCn1cccn1)NCCc1ccc(Cl)cc1 72267850 GCDUJXOTZCGBCA-UHFFFAOYSA-N 306.797 1.485 0 40 DDAB C[C@@H]1COCCN1Cc1nc2ncc(Br)cc2[nH]1 72290402 FUGIKMMECRHFGY-MRVPVSSYSA-N 311.183 1.941 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1N1CCOCC1 84735597 WJPHOTZCYHLDCQ-BFHYXJOUSA-N 300.468 1.555 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1cc(C)[nH]n1 95437824 VSJSXRYCANSKRE-CQSZACIVSA-N 319.336 1.300 0 40 DDAB O=C(Nc1nnc2n1CCCC2)c1cc(-c2cccnc2)on1 95468546 ZRPZQGYJBYSWBM-UHFFFAOYSA-N 310.317 1.917 0 40 DDAB CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cnn(C)c2)c1 95421713 HWAKGGONBLQIDK-VXGBXAGGSA-N 322.434 1.740 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95479164 JQYQVRYVFQHJCS-LLVKDONJSA-N 324.340 1.825 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)CCc3ccsc3)C2=O)cn1 98010386 BPDCUXOXAPBAEW-ZDUSSCGKSA-N 318.402 1.336 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C1(N(C)C)CCC1)CC2 95966820 VJPZXTRNUQAFSF-ZIAGYGMSSA-N 310.438 1.249 0 40 DDAB CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1 74842955 RTXCMFHKNLFJDW-UHFFFAOYSA-N 320.422 1.844 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1C(=O)C1=NN(C)C(=O)CC1 89930021 INSQZLRYEUMIOG-LBPRGKRZSA-N 314.389 1.856 0 40 DDAB O=C(c1ccsc1Br)N1CC[C@@H](CO)[C@H](O)C1 556307196 PABFVNQMALWEMJ-IONNQARKSA-N 320.208 1.326 0 40 DDAB Cc1cc(=O)oc2ccn(CC(=O)Nc3nccs3)c(=O)c12 1547211004 AWINDPOPWQZIOW-UHFFFAOYSA-N 317.326 1.358 0 40 DDAB COc1nn(C)cc1CNC(=O)N[C@@H]1CCc2c(O)cccc21 1548449058 ZHRGTXNSLOUJGS-CYBMUJFWSA-N 316.361 1.621 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1(COC)C(=O)O 218405068 NTEMSNPWKMYJHC-VNHYZAJKSA-N 312.387 1.613 0 40 DDAB Cc1cn[nH]c1C1(C)CCN(S(=O)(=O)c2cnn(C)c2)CC1 72388936 YILWMFJOSBVYIQ-UHFFFAOYSA-N 323.422 1.194 0 40 DDAB O=C1CCSC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)N1 75171263 YMOMQBSVUXAZAV-SNVBAGLBSA-N 308.359 1.018 0 40 DDAB C[C@@H](CCN1CCOCC1)NC(=O)CO[C@H]1CCC[C@@H](C)C1 79310531 ABRDHZFHUWCCNY-PMPSAXMXSA-N 312.454 1.809 0 40 DDAB COCc1ccc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)cc1 1553425227 CDDUTXFSFNUJJF-OAHLLOKOSA-N 303.406 1.856 0 40 DDAB O=C(NCCN1CCOCC1)c1nnsc1-c1ccccc1 72239979 WKVFQNVIYNHBKH-UHFFFAOYSA-N 318.402 1.267 0 40 DDAB CCN1[C@@H](Cc2cccn2C)[C@H](O)c2ccccc2S1(=O)=O 35385073 KRHBKZJPBPVJEU-GOEBONIOSA-N 320.414 1.694 0 40 DDAB CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241331 KAAZGRRYIPVYLX-ZIAGYGMSSA-N 310.781 1.765 0 40 DDAB Cn1nc(C(=O)N2C[C@@H](CN)C3(CCOCC3)C2)cc1C1CC1 563115731 KWMUVGBQFFBWDW-CYBMUJFWSA-N 318.421 1.125 0 40 DDAB COCC(=O)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 72377797 DKBXWECVZVUYAN-ZDUSSCGKSA-N 313.361 1.925 0 40 DDAB COCCCNC(=S)Nc1nc(OC)cc(C(F)(F)F)n1 225902205 AIMMBTYGTMDKBG-UHFFFAOYSA-N 324.328 1.827 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1 224239037 SHORROQWDLGELP-UHFFFAOYSA-N 322.390 1.030 0 40 DDAB CC1(C)CC(NC(=O)C(=O)Nc2nccs2)CC(C)(C)N1 42646791 RHVVIMZWCNHVBI-UHFFFAOYSA-N 310.423 1.507 0 40 DDAB O=C(NCCC1=CCCCC1)[C@@H]1CSc2nccc(=O)n2C1 85473956 QUXRNTKVUNWALC-ZDUSSCGKSA-N 319.430 1.972 0 40 DDAB CCn1ccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)n1 40776607 GRXSNRPYQDYTIL-OAHLLOKOSA-N 300.318 1.631 0 40 DDAB CCc1noc(C2CCN(C(=O)c3snnc3C)CC2)n1 40714672 URBXUJPBSMQSDO-UHFFFAOYSA-N 307.379 1.812 0 40 DDAB COc1nc(C)nc(N2CCC[C@@H](c3nncn3C)C2)c1C 195567296 JXZSABBAHSBKKY-GFCCVEGCSA-N 302.382 1.615 0 40 DDAB CO[C@H](C)CS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 195315946 GDEODOLLRJMRCG-TZMCWYRMSA-N 304.456 1.205 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 96047727 MBSBCQFCOBOGPW-DOTOQJQBSA-N 311.389 1.717 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 96062983 NMOJRZDSVVZTDD-QGZVFWFLSA-N 303.406 1.656 0 40 DDAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)Nc1ccc(C)cc1 96245804 SBBZZUZDVRNFIW-GJZGRUSLSA-N 317.389 1.849 0 40 DDAB O=C1CCC2(CCNCC2)CN1CCCNc1cccnc1 91625163 WCDDGWMJPZRUNB-UHFFFAOYSA-N 302.422 1.876 0 40 DDAB C[C@H](CO)CNC(=O)COc1ccccc1Br 96486986 DLMPMCHLILPGPL-VIFPVBQESA-N 302.168 1.573 0 40 DDAB COC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)C(C)(C)C 95413978 YQLRZIRYVHXGKZ-BDAKNGLRSA-N 310.316 1.327 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2ccco2)cn1 96184531 FBWMUUFEPUXFMM-CABCVRRESA-N 300.362 1.502 0 40 DDAB Cn1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)cn1 96116688 YNLHRRCRKXLABE-UHFFFAOYSA-N 309.329 1.997 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 96161560 XERFZZJOTZFKHU-BETUJISGSA-N 314.414 1.742 0 40 DDAB CCOc1ccc(NC(=O)CN2[C@H]3CC[C@H]2CC(=O)NC3)cc1 245227262 IYZUEEXKOQYADP-KBPBESRZSA-N 317.389 1.377 0 40 DDAB O=C(Cc1ccccc1F)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257309284 UAIFRDSSGVWYTI-HOTGVXAUSA-N 317.364 1.789 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(CN)COC 252514987 FQJUQKKVUJOQFL-MJBXVCDLSA-N 317.838 1.832 0 40 DDAB Cc1cnc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)s1 257294112 QSMVUTYTIIXYPY-LBPRGKRZSA-N 315.464 1.972 0 40 DDAB COc1ncccc1C(=O)N1CCO[C@@H](c2cccc(N)n2)C1 257272914 NEJNUOLGDYFTQB-CYBMUJFWSA-N 314.345 1.281 0 40 DDAB O=C1CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)CCN1 257317225 VIWUIQYEKZFDBE-UHFFFAOYSA-N 313.332 1.384 0 40 DDAB CC(C)C(=O)N[C@H]1CCN(Cc2ncccc2F)CC[C@@H]1O 257234339 GTBNFPLOWAGIEO-ZFWWWQNUSA-N 309.385 1.318 0 40 DDAB C[C@]1(c2ccnc3ccnn23)CCCN1C(=O)CCC(=O)O 257317925 VLSVHPYHQQUWFC-OAHLLOKOSA-N 302.334 1.432 0 40 DDAB C[C@]12CC(=O)[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 257345775 IQWPIVUYONOUOY-RUZZGSCVSA-N 322.445 1.901 0 40 DDAB CN(C(=O)CCc1cccnc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257344183 ZWCAGYCYWZJMAL-BFYDXBDKSA-N 314.389 1.434 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1cnc(-n2cccn2)nc1 85470381 JSLKXPLUDAPXCA-UHFFFAOYSA-N 322.328 1.031 0 40 DDAB Cc1cc(C)n([C@@H](CNC(=O)c2cn(C)nn2)c2ccco2)n1 575605139 MXEZICNSOBHDOD-ZDUSSCGKSA-N 314.349 1.241 0 40 DDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)CCc2ccccc2)C1 585278810 VQUFWXACELWXBU-GOSISDBHSA-N 318.417 1.499 0 40 DDAB COc1cc(C)ccc1OCCC(=O)N1CC[C@H](C(N)=O)C1 65549056 QXLIEMMFUZZMJL-LBPRGKRZSA-N 306.362 1.106 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1ccc2ncsc2c1 44940345 NNEITOZBOWKRBZ-LLVKDONJSA-N 305.403 1.747 0 40 DDAB CCc1nc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 75606356 ZOWQTNJJHFPVEA-OLZOCXBDSA-N 323.462 1.685 0 40 DDAB C[C@@H](C[S@](C)=O)NC(=O)NCCc1ccc(F)cc1F 97086266 MAVOTNSEXIFJGI-GWNMQOMSSA-N 304.362 1.574 0 40 DDAB CCn1nnc2c1[C@@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C2 91303029 ZXYISKBNCFRHMO-VIFPVBQESA-N 310.354 1.305 0 40 DDAB in-vitro Cc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2cc(C)on2)c1 40480057 UYRDTQNSMPDXPF-JTQLQIEISA-N 303.318 1.796 0 40 DDAB Cc1ncc(C[n+]2csc(CCOC(=N)S)c2C)c(N)n1 1569986051 CQJAENIXZOFWNI-UHFFFAOYSA-O 324.455 1.497 0 40 DDAB CN1C[C@@H](C(=O)NCc2cnccn2)[C@@H]2COc3ccccc3[C@@H]21 1772595681 JOCLRWSMLHKUOS-VYDXJSESSA-N 324.384 1.404 0 40 DDAB COC(=O)C1CCN(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 5269165 MSPRLIWYTFDFSY-LBPRGKRZSA-N 314.382 1.169 0 40 DDAB O=C(Nc1ccncc1)c1c(O)n2c3c(cccc3c1=O)CC2 5687873 WMDZGNRYOZAOTM-UHFFFAOYSA-N 307.309 1.911 0 40 DDAB CC[C@@]1(c2c(F)c(F)c(N)c(F)c2F)CCC(=O)NC1=O 5888377 VQMSWWCIWKGHRH-ZDUSSCGKSA-N 304.243 1.910 0 40 DDAB O=c1[nH]c(N2CCN(c3ccc(F)cc3)CC2)nc2c1CCC2 18244222 ZHPSQSCXICORIR-UHFFFAOYSA-N 314.364 1.724 0 40 DDAB CC[C@H](O)Cn1nnc([C@H](NC(=O)c2ccccc2)C2CC2)n1 156843596 NEZRUJXXLMDZDU-UONOGXRCSA-N 315.377 1.325 0 40 DDAB CCCNC(=O)CSc1nnc(-c2ccco2)n1CCOC 35312702 CZIYPWANPQHIHR-UHFFFAOYSA-N 324.406 1.803 0 40 DDAB N[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 1719791 KGXGNCWRTGFTGA-HZPDHXFCSA-N 301.298 1.877 0 40 DDAB O=S(=O)(O)c1ccc(O)c(I)c1 1866565 ZHYRHLZFGLAMJO-UHFFFAOYSA-N 300.073 1.244 0 40 DDAB in-vitro Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)ccc1F 527562332 RXXWKEQIVLSIFH-DYEKYZERSA-N 318.352 1.537 0 40 DDAB COC(=O)[C@H]1[C@@H](C(=O)NC(C)C)[C@@]1(C)C(=O)c1ccccc1N 19450025 LAPOYXQULVKRMS-OGHNNQOOSA-N 318.373 1.401 0 40 DDAB COc1cncc(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)O)C2)c1 572154305 NHFAQWJWKKZHGW-UWVGGRQHSA-N 314.363 1.012 0 40 DDAB COc1ccc([C@@H]2SCC(=O)N2CCN2CCOCC2)cc1 19898641 HMHHOWHHSNKQPN-INIZCTEOSA-N 322.430 1.601 0 40 DDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc2cccnc12 2037971246 IPLKITDCPBFHTL-SPUZQDLCSA-N 316.401 1.158 0 40 DDAB Cc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)ccc1F 2086816553 XGEBUJXNEZEDBQ-UHFFFAOYSA-N 305.275 1.849 0 40 DDAB O=C(/C=C/c1ccsc1)NC[C@]1(OCCO)CCSC1 1565523699 ULVUXTRHOJKBOO-VSZDKKFSSA-N 313.444 1.762 0 40 DDAB O=C(N[C@H]1[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21)c1ccno1 2055731732 PUZGFAJQERROAU-HBYGRHMLSA-N 319.311 1.813 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1cccs1 23106571 RJHCNVPPMDCXEV-SECBINFHSA-N 308.363 1.094 0 40 DDAB O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1cccnc1 206817073 GUCRWGDOADUPAW-JTQLQIEISA-N 310.404 1.095 0 40 DDAB C=CC(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)nc(C)n1 585292780 SFIBVSCFRJSZRR-CYBMUJFWSA-N 310.361 2.168 0 40 DDAB C[C@H]1CN(c2ncnc3cnccc23)CCN1Cc1cnn(C)c1 2298050238 GBFKKJQNQUTVFL-ZDUSSCGKSA-N 323.404 1.469 0 40 DDAB O=C(CN(CCO)C1CC1)NCC1(c2ccccc2)CCC1 40119082 KFCQODHYERGQST-UHFFFAOYSA-N 302.418 1.681 0 40 DDAB O=C(Nc1nnc2ccccn12)c1ccc(Cn2cncn2)cc1 30711862 UVDMZOBXVWBUFL-UHFFFAOYSA-N 319.328 1.621 0 40 DDAB CC(=O)N(C)CC(=O)N1CCN(c2cccc(C)c2C)CC1 40506122 FMSHGENXWOHFFA-UHFFFAOYSA-N 303.406 1.430 0 40 DDAB Cc1nc(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cs1 32819587 VWALLXZMXOXWLE-AWEZNQCLSA-N 315.398 1.433 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)Cn1ccccc1=O 32931332 LLFOPGCUUPJZCH-UHFFFAOYSA-N 300.358 1.660 0 40 DDAB COc1ccc(C)cc1C(=O)CSc1nc(N)cc(N)n1 411984 ITBMRUXLHMNCGN-UHFFFAOYSA-N 304.375 1.933 0 40 DDAB CCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 410554 PVKCKMSRWJKYPJ-UHFFFAOYSA-N 305.363 1.626 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 60600148 MUABLISTQINKAC-LBPRGKRZSA-N 322.430 1.808 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 76045793 JFHZOLGDVUNWNI-ZDUSSCGKSA-N 315.377 1.295 0 40 DDAB Cn1ccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)cc1=O 76251104 OJDLKVDFUOXMOA-UHFFFAOYSA-N 305.721 1.390 0 40 DDAB CC(C)(C)OC(=O)CNC(=O)c1cncc(Br)c1 78736376 QPAPGLPTYIZCGW-UHFFFAOYSA-N 315.167 1.916 0 40 DDAB COC(=O)CN1CCN(CCCc2nc3ccccc3o2)CC1 97165642 QLQQMKRZOXZDMF-UHFFFAOYSA-N 317.389 1.551 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1O 97147243 IMSMAAONKGVSKI-KCJUWKMLSA-N 307.774 1.871 0 40 DDAB Cc1cc(C)nc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 97142882 RXLVHVAAFHMEMG-CQSZACIVSA-N 319.453 1.703 0 40 DDAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccco1 25257419 ZGSIVFAEQQIQDG-SRVKXCTJSA-N 304.346 1.632 0 40 DDAB CCn1nccc1CN(C)c1nc(N)nc2c1nc(C)n2C 57279147 NZVAXCZXUYGCQH-UHFFFAOYSA-N 300.370 1.107 0 40 DDAB CCCCS(=O)(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 107342066 ZNMIQOWOYFLXTE-RBSFLKMASA-N 318.483 1.690 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)c1 56693531 QJIUMXLMQFOXNX-CYBMUJFWSA-N 310.419 1.593 0 40 DDAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCOCC1 27017780 CWJDAAJHRNHRRU-NSHDSACASA-N 303.362 1.231 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 44722048 HDCQPOPTFWGHFZ-YFTPGTOHSA-N 323.414 1.967 0 40 DDAB O=c1c(NCCc2ccc(O)cc2)c(NCc2ccccn2)c1=O 101697735 LJIGIISGULWPJH-UHFFFAOYSA-N 323.352 1.650 0 40 DDAB Cc1nnc(CN(C)S(=O)(=O)c2c(F)cccc2F)n1C 72307452 FHGOJCHKDLXCRO-UHFFFAOYSA-N 316.333 1.222 0 40 DDAB CCn1nc2c(cc1=O)CN(c1nn3cc(C)nc3s1)CC2 72302182 VQWREGDRJBWZMR-UHFFFAOYSA-N 316.390 1.239 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 44890004 KKLLNKDJOGEHGX-ZDUSSCGKSA-N 322.792 1.582 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCC2CCN(C)CC2)c1C 58217524 SSLSEMWQOKGZTE-UHFFFAOYSA-N 321.421 1.880 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 48129713 VKGNOUBXKCCWDU-IUODEOHRSA-N 315.373 1.684 0 40 DDAB O[C@](Cc1nnn[nH]1)(c1nc2ccccc2s1)C(F)(F)F 48252116 IIVSXEZDALOZHP-SNVBAGLBSA-N 315.280 1.802 0 40 DDAB NC(=O)N1CCC[C@@H](C(=O)NCc2cc3ccccc3o2)C1 44952562 MQZYJGHJSPNUNS-GFCCVEGCSA-N 301.346 1.840 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 58309243 BYDVNUKYXSRBNC-UONOGXRCSA-N 321.421 1.635 0 40 DDAB CCN1CCN(C(=O)CSc2ccc(OC)c(OC)c2)CC1 22515114 CWKBGLWLUUYXKX-UHFFFAOYSA-N 324.446 1.960 0 40 DDAB C[C@@H](CNC(=O)CN(C)Cc1ccccc1)CN1CCCC1=O 58332359 CLIMGPARZYJGCA-HNNXBMFYSA-N 317.433 1.493 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)CO1 28057860 ICWWXOLVDSFWSH-QWRGUYRKSA-N 313.375 1.256 0 40 DDAB CC(=O)NCCC(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 23077988 GJCBQJIXCSRLAW-LBPRGKRZSA-N 306.362 1.103 0 40 DDAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 3311616 YGCHCTWRIXPDKP-UHFFFAOYSA-N 313.357 1.769 0 40 DDAB COc1cccc(-c2nnc(S[C@H]3CCOC3=O)n2C)c1 3394687 ORLDCCPUPAGALZ-NSHDSACASA-N 305.359 1.898 0 40 DDAB CCOc1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@@H]2C)cc1 45821980 RNALYRRDOSIKLT-SOUVJXGZSA-N 309.406 1.934 0 40 DDAB CC(=O)c1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)s1 12793789 FBTGWEBUUNWVDY-UHFFFAOYSA-N 306.387 1.645 0 40 DDAB CCCn1c(S(=O)(=O)Cc2ccc(Cl)cc2)n[nH]c1=O 60062173 OBMLZXNKBXPPHE-UHFFFAOYSA-N 315.782 1.609 0 40 DDAB O=c1c2ccccc2nnn1CSc1nnc2ccccn12 3505788 CLIFAHZNOJWFSV-UHFFFAOYSA-N 310.342 1.584 0 40 DDAB CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3cccnc3)[C@H](O)[C@H]2O1 22115777 CBBQACBMQVEKKG-ZVDSWSACSA-N 320.389 1.456 0 40 DDAB Cn1c([C@@H]2CCCN2C(=O)c2nccnc2N)nc2ccccc21 95397297 QGSDWGXVRNLRKL-ZDUSSCGKSA-N 322.372 1.923 0 40 DDAB O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1nccs1 13735186 RWWXIOGXMQRZRH-UHFFFAOYSA-N 300.343 1.993 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cccs1 5172415 IJKCRJQNYQDTDS-UHFFFAOYSA-N 318.354 1.523 0 40 DDAB CC(=O)NCCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 65419151 QTTRUFCXBUVSKA-NSHDSACASA-N 321.377 1.344 0 40 DDAB CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 65488420 MBJWRPWMONEEMS-LBPRGKRZSA-N 312.435 1.898 0 40 DDAB O=c1oc(-c2ccccc2)nn1C[C@@H](O)COc1ccccc1 65607561 BBZXGACEJWKGHO-CQSZACIVSA-N 312.325 1.943 0 40 DDAB CC(C)c1noc(CS(=O)(=O)C[C@@H](O)c2ccccc2)n1 65650679 MPNQIIHFHHSRQG-GFCCVEGCSA-N 310.375 1.841 0 40 DDAB Cn1c2c(c(=O)n(C)c1=S)[C@H]1c3ccccc3OC[C@@H]1CO2 6624135 MGJYRALOYDNBNL-BXKDBHETSA-N 316.382 1.986 0 40 DDAB biogenic Cc1nnc(SCC(=O)NCc2ccc(C(=O)O)cc2)s1 5886471 OJMABDLBLRDJFI-UHFFFAOYSA-N 323.399 1.953 0 40 DDAB Cn1c(CCNC(=O)c2ccc3c(c2)CCO3)n[nH]c1=S 67051962 FSIXBZBKWLIKMN-UHFFFAOYSA-N 304.375 1.385 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(C(N)=O)c1 9458077 GDCBOGPFAKVOOH-ZUZCIYMTSA-N 312.325 1.953 0 40 DDAB Cc1ccc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1 16117510 LQLPYSRYAURZKJ-UHFFFAOYSA-N 306.387 1.455 0 40 DDAB Cc1nc(-c2ccccc2)sc1CS(=O)(=O)[C@H](C)C(N)=O 84064714 CHPITYSEMRTHTC-SNVBAGLBSA-N 324.427 1.907 0 40 DDAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCC[C@@H](O)C1 69186979 LJJJTHJPEJWYBK-OAHLLOKOSA-N 300.362 1.920 0 40 DDAB Cc1ccc(OCCCNC(=O)N[C@@H](C)c2nncn2C)cc1 69347531 FHFMOLVBLIHBRW-ZDUSSCGKSA-N 317.393 1.953 0 40 DDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H]1Cn1cccn1 71866361 FHNBAIOKKXLNRL-OAHLLOKOSA-N 322.372 1.769 0 40 DDAB CC(=O)c1cccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)c1 69442154 RDDMPTZPUDPWLT-AWEZNQCLSA-N 303.362 1.878 0 40 DDAB CCc1nnc2n1CCN(C(=O)C1=Cc3ccccc3OC1)C2 69459731 SNWXVUOWWMGULT-UHFFFAOYSA-N 310.357 1.659 0 40 DDAB O=c1[nH]c(Cn2nnc(-c3ccccc3)n2)nc2ccccc12 8436419 JUZAQKPOVUMNFX-UHFFFAOYSA-N 304.313 1.625 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)c2cscn2)CC1 69626687 GGWDNFUIFLISFL-UHFFFAOYSA-N 319.434 1.708 0 40 DDAB CCC(=O)NCC(=O)Nc1cnn(-c2ccccc2Cl)c1 71883699 WTQBUUXWPQIVRG-UHFFFAOYSA-N 306.753 1.990 0 40 DDAB CN(Cc1cc[nH]n1)S(=O)(=O)c1cc(F)c(F)cc1F 69846585 ZPFKWMZCYMIRDU-UHFFFAOYSA-N 305.281 1.648 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 69952132 RSCYXNSBUYQXPN-HNNXBMFYSA-N 301.394 1.721 0 40 DDAB CCOc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1 172916116 KVHAJVGQWWYQHT-UHFFFAOYSA-N 300.380 1.352 0 40 DDAB NC(=O)N1CCC(Nc2cccnc2OCC(F)F)CC1 97035048 WPNZZYBHVCYURV-UHFFFAOYSA-N 300.309 1.681 0 40 DDAB COc1c(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(C)nn1C 97081533 CXXVDYVWOGRJDS-CMPLNLGQSA-N 309.414 1.541 0 40 DDAB CC[C@@H]1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 97081138 SEKFMXSUVBHRCR-GFCCVEGCSA-N 315.377 1.933 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)no1 72299652 DWTQMHDXNJYMLT-SECBINFHSA-N 320.374 1.770 0 40 DDAB CC(C)C[C@@H](NC(=O)Cc1ccon1)C(=O)Nc1cc[nH]n1 84293507 QDJQPODXQLMXJN-LLVKDONJSA-N 305.338 1.110 0 40 DDAB Cc1nnc(-c2ccc(NC(=O)NC[C@H](O)C3CC3)cc2)o1 84291642 FTELJWUVVIGHFP-ZDUSSCGKSA-N 302.334 1.937 0 40 DDAB CCCn1cc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 84760627 GPNDBSQRSMHFAJ-ZBFHGGJFSA-N 303.410 1.894 0 40 DDAB CC(C)[C@H](C)[S@@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 95417860 ULFROPSOBNCEMA-OYMPBJRDSA-N 316.467 1.297 0 40 DDAB O=S1(=O)CC[C@H](NC(=S)Nc2ccccc2Cl)C1 60847530 FFZIDHRYHCDFFM-QMMMGPOBSA-N 304.824 1.814 0 40 DDAB CC(C)(C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 113939264 OGRAUSKEPUQROA-UHFFFAOYSA-N 320.361 1.646 0 40 DDAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccn(C)n2)CC1=O 24472880 RQPMJBKNDAXMPO-NSHDSACASA-N 314.345 1.420 0 40 DDAB Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1C 77939551 PYNSGKOJNDVRMC-UKRRQHHQSA-N 304.390 1.909 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)NC[C@@H]3CCCN3)c2)n1 514660902 IDSFJZNNYBNLOR-ZDUSSCGKSA-N 300.366 1.356 0 40 DDAB CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cn1 549805945 MDHGEYAUUIHLFW-JSGCOSHPSA-N 318.421 1.459 0 40 DDAB CCCCNc1ncc(CN[C@@H](CCSC)C(=O)O)cn1 218770011 KBFZRHFNTLNBLL-LBPRGKRZSA-N 312.439 1.985 0 40 DDAB Cc1csc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)c1 556702501 WPALSNCAKGVSTE-ZJUUUORDSA-N 319.404 1.215 0 40 DDAB COc1ccccc1N1CC[C@H](N2CCC[C@@]2(C)C(=O)O)C1=O 530207834 RLVSXCZSFLSOGD-GUYCJALGSA-N 318.373 1.740 0 40 DDAB CC1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 72238037 SHODZVTUDGEGRV-IRXDYDNUSA-N 316.401 1.843 0 40 DDAB CN(C(=O)c1cnc2c(c1)nnn2C)c1nc2ccccc2n1C 120627224 NDULYPXEXUFIJV-UHFFFAOYSA-N 321.344 1.527 0 40 DDAB O=C(NCCOc1cc(N2CCCCC2)ncn1)c1ccco1 38520477 ADFFBLUVPSGGHH-UHFFFAOYSA-N 316.361 1.869 0 40 DDAB CCOc1cc(-c2nc(C)c(CC(=O)O)c(=O)[nH]2)ccc1OC 217394229 LMJYKKWZPBPLPE-UHFFFAOYSA-N 318.329 1.780 0 40 DDAB C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@@H]1C(N)=O 73356638 LZFCXEPFELTJGL-XJKSGUPXSA-N 315.417 1.694 0 40 DDAB CN(C)Cc1ccccc1CNC(=O)[C@@]1(C)CN(C)CCO1 72378285 JWBFHRAOEVZCQB-QGZVFWFLSA-N 305.422 1.085 0 40 DDAB Cc1ccc([C@]2(O)CCN(S(=O)(=O)c3cccnc3)C2)cc1 72351113 AUSOFTCLRDEDSL-INIZCTEOSA-N 318.398 1.672 0 40 DDAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H](C(N)=O)C2)n1 42382047 LVMWKIXEYJTPOX-LLVKDONJSA-N 322.409 1.414 0 40 DDAB Cc1cccc(N2Cc3nc(N4CCN(C)CC4)ncc3C2=O)c1 46087089 MRMASFKAKUMZSR-UHFFFAOYSA-N 323.400 1.697 0 40 DDAB CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1nnc(C)n1C1CC1 569512960 GLWQCDBNGZHXNE-BZUAXINKSA-N 320.437 1.937 0 40 DDAB Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1nnc2n1CCC2 89702595 MYACCCSDCBWZSZ-JTQLQIEISA-N 321.406 1.023 0 40 DDAB Cc1csc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 570915605 CYWFZQKPTVCENP-JBLDHEPKSA-N 314.432 1.331 0 40 DDAB O[C@@]1(CNC2CCN(CCC(F)(F)F)CC2)CCSC1 195556446 SHGCXERDCRXNHE-GFCCVEGCSA-N 312.401 1.861 0 40 DDAB NC[C@@H]1CCN(c2cccc(Br)c2)S1(=O)=O 222542809 ORQYWONAFSSKGJ-JTQLQIEISA-N 305.197 1.316 0 40 DDAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 222899818 NIBJKYJXTQTXQP-LRDDRELGSA-N 322.380 1.858 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 225438798 CLAQNNQHGODLIO-ZDUSSCGKSA-N 314.345 1.103 0 40 DDAB NC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)S1(=O)=O 222537958 UCJZWSKRRXMJOJ-SECBINFHSA-N 309.218 1.856 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@]1(O)CCc2ccccc2C1 90611442 OJXHATACUYKTPT-QGZVFWFLSA-N 315.373 1.079 0 40 DDAB O=C(NCCc1cscn1)c1cnn(-c2ccc(F)cc2)n1 96414429 SWFZFKNAVARKCZ-UHFFFAOYSA-N 317.349 1.835 0 40 DDAB CC(C)n1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n1 96443740 UPCLJLZHCRYCRL-GFCCVEGCSA-N 321.450 1.713 0 40 DDAB CCOc1cc(N(C)Cc2nc(-c3cccnc3)no2)ncn1 97096871 FVWCMBMBWGBZQF-UHFFFAOYSA-N 312.333 1.957 0 40 DDAB c1cnc(N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)nc1 96108873 DXWZAVJMYFABOY-NVXWUHKLSA-N 312.373 1.541 0 40 DDAB O=C(c1ccncc1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96239164 MIAKPOZBAHZLAE-GOSISDBHSA-N 322.368 1.746 0 40 DDAB CC1=NC2(CCC(C(=O)Nc3cc(C)nn3C)CC2)C(=O)N1C 96087491 JZXHKXSICFONRA-UHFFFAOYSA-N 317.393 1.486 0 40 DDAB CO[C@@H](CNS(=O)(=O)Cc1cc(C)on1)c1ccccc1 96428731 IYYPZGVWJAJUFH-AWEZNQCLSA-N 310.375 1.790 0 40 DDAB O=C(NC1CCC1)[C@@H]1CCC2(CN(Cc3cccnc3)C2)O1 96239503 LAIUFMXSMYCKTE-HNNXBMFYSA-N 301.390 1.484 0 40 DDAB Cc1cc([C@@](C)(O)CNC(=O)Nc2cccn(C)c2=O)c(C)o1 96435126 NFFKZJDTFRLGOP-INIZCTEOSA-N 319.361 1.624 0 40 DDAB O=C(O)[C@@H]1CCCN(c2nccn(-c3cccc(F)c3)c2=O)C1 96530527 JGUSREGSUJRNSR-LLVKDONJSA-N 317.320 1.673 0 40 DDAB O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CC1CC1)c1cnccn1 96250324 DBAWANKCMMSDPU-NUEKZKHPSA-N 316.405 1.096 0 40 DDAB O=C1CNC(=O)N1CCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 97377101 NWOFOOLPDPMNJY-UONOGXRCSA-N 305.353 1.603 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2ncnc(NC3CCC3)c2CC1 96255790 HWBQBTFWJDNMAP-OAHLLOKOSA-N 316.405 1.547 0 40 DDAB Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1ccco1)C2 96187549 QMSUIGISWXLFNS-UHFFFAOYSA-N 316.361 1.001 0 40 DDAB CN(C)[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1cnn(C)c1 96200888 XXFOOJDRRHKCPC-KGLIPLIRSA-N 305.451 1.624 0 40 DDAB COc1c(NS(=O)(=O)c2ccc(F)c(C)c2)c(C)nn1C 96407108 HDXBQVALBCWTDI-UHFFFAOYSA-N 313.354 1.985 0 40 DDAB Cc1cc(CN2CC[C@@H]3OC[C@H](C(=O)N(C)C)C[C@@H]3C2)no1 96042640 LCKBXNCOUTZCCC-NFAWXSAZSA-N 307.394 1.298 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1Cc1nncn1-c1ccccc1 95992514 IBXYBXDKUYYFQA-ZDUSSCGKSA-N 311.345 1.584 0 40 DDAB COCCN(CC(=O)N(C)C)c1ncnc2c(C)cccc12 96480996 TUKVLYPLLOIVIU-UHFFFAOYSA-N 302.378 1.479 0 40 DDAB CC(C)[C@@H](C(=O)NCCS(N)(=O)=O)c1cccc(Cl)c1 96454939 NMKUEIJZRIYJTD-GFCCVEGCSA-N 318.826 1.484 0 40 DDAB C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)[C@H]1CCOC1 245316825 KRXZUJLRVOOASO-SRVKXCTJSA-N 323.359 1.689 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)C)cc1C 343091773 HTQUTRDJEKSREA-LLVKDONJSA-N 314.407 1.195 0 40 DDAB CC(C)(C)c1cc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)[nH]n1 257236277 HBLGTTCVHWQJLY-BBRMVZONSA-N 307.394 1.463 0 40 DDAB CC(=O)NCc1cnc([C@@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1 257321772 WDEDWIRHMQQXQL-GFCCVEGCSA-N 317.368 1.569 0 40 DDAB Cc1n[nH]cc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257307795 TUDYDSPODUSHHS-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB CCc1nccn1CCC(=O)N1CC[C@H]2NCCCC[C@H]2C1 257321755 WDCIWGQRRIAQNP-LSDHHAIUSA-N 304.438 1.826 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2n[nH]c3ccccc23)[C@H]1O 257310749 UGJREIDVHZXSMI-UMVBOHGHSA-N 303.362 1.563 0 40 DDAB O=C(O)CCC(=O)N1CCCC[C@@H]1c1ccn2nccc2n1 257238991 HNLQIOYUZPQRMO-GFCCVEGCSA-N 302.334 1.648 0 40 DDAB CC(C)(C)n1cnc(C(=O)Nc2cncnc2-n2cccn2)n1 291349109 NTGWPSPVSNKQJI-UHFFFAOYSA-N 312.337 1.261 0 40 DDAB COc1nc(CNC(=O)c2ccc(Cl)s2)nc(OC)n1 575603990 NNGTXWNFMLFTCI-UHFFFAOYSA-N 314.754 1.534 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2cccc(-n3cccc3)c2)[C@@H]1O 585291294 OOSZIGJIGVKCDY-KURKYZTESA-N 316.401 1.684 0 40 DDAB CCc1nc(=N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)s[nH]1 585142487 XDMQFAFLGKMEAU-RKDXNWHRSA-N 321.406 1.698 0 40 DDAB CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)c1cnc(C)cn1 585094793 NCPPZCGTWUPPCP-GFCCVEGCSA-N 315.377 1.122 0 40 DDAB O=C(COC1CCCCC1)NCCC(=O)Nc1cccnc1 66098135 HRIFLKHUSDWEEP-UHFFFAOYSA-N 305.378 1.876 0 40 DDAB C[C@H](NC(=O)/C=C/c1cnn(C)c1)c1ccc2[nH]c(=O)[nH]c2c1 69581211 JYPLKWUXSOLNCJ-YVGDHZEHSA-N 311.345 1.480 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nccc(OC)n1 72268332 TWEGOJBUMPPFGH-OLZOCXBDSA-N 304.394 1.855 0 40 DDAB Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C)nc2)c1 57441067 IIBDFNZNUUFIKV-HNNXBMFYSA-N 300.358 1.868 0 40 DDAB O=C(NC1CCOCC1)N1CCC[C@H](COc2ncccn2)C1 1776001767 KLHNJEJMGDEBIU-ZDUSSCGKSA-N 320.393 1.456 0 40 DDAB Cc1cncnc1N1CCN(c2nccc(C(F)(F)F)n2)CC1 1776008994 FHWBCNNQIRDYEE-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB O=C(Nc1cccnc1-n1cncn1)[C@@H]1Cc2ccccc2O1 58328374 XNVUGMQCTLHXGA-AWEZNQCLSA-N 307.313 1.605 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)c2ccc(C)[nH]c2=O)cc1 75119722 ODUHUDXKAUOKCR-AWEZNQCLSA-N 302.330 1.155 0 40 DDAB CC(C)C[C@H](C(=O)NC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020290 JVAOWNDOYAQKMM-HZSPNIEDSA-N 306.406 1.877 0 40 DDAB Cc1[nH]ccc1C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 97020446 INNBDPFLBPBITD-CQSZACIVSA-N 306.387 1.839 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 585612667 MPFDUQGMJDDHJN-CHWSQXEVSA-N 324.388 1.286 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(Cc2c(C)nn(C)c2C)C1 1615142887 DGAARPKSBHHCIM-KRWDZBQOSA-N 322.453 1.544 0 40 DDAB O=C([C@@H]1CC(c2ccc(Cl)cc2)=NO1)N1CC[C@@H](CO)C1 12325685 XDMBSCYGGSEMFS-YGRLFVJLSA-N 308.765 1.674 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2cncn2C)C1 643914915 ZDLNJRMFZKIBIO-QGZVFWFLSA-N 301.390 1.744 0 40 DDAB COc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1OC 3268454 SONXYVWXZTZXLV-UHFFFAOYSA-N 307.346 1.873 0 40 DDAB O=c1c2nnn(-c3ccc(F)cc3)c2ncn1-c1nccs1 1888914233 FGLFROROZUXZTH-UHFFFAOYSA-N 314.305 1.562 0 40 DDAB COCCCN1CC[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2CC1 2056224415 QBHKPEHVZIMEOW-GASCZTMLSA-N 318.421 1.297 0 40 DDAB COc1ccc(C(=O)N2CC[C@H]3C[C@@]32C(=O)N2CCCC2)cn1 2056225208 IASUNEQBLPYJMM-GUYCJALGSA-N 315.373 1.317 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(OC)no1)C2 1146935680 YTSWMRRCHAHJPW-SWLSCSKDSA-N 310.350 1.341 0 40 DDAB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)C2CC2)s1 4079388 IAUXTUXKASDBQF-LURJTMIESA-N 301.393 1.930 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccs1 10256166 BRVHRKNWQWIBSJ-GFCCVEGCSA-N 322.411 1.614 0 40 DDAB CCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055715756 GQYKCAAHMOZZHB-GFCCVEGCSA-N 306.410 1.500 0 40 DDAB CC(=O)N1CCc2c(nnn2C)[C@H]1COCc1cccc(C)n1 2055750530 ASMQDEYYKOQOPL-OAHLLOKOSA-N 315.377 1.181 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccccc2)C1 2055771977 ODNDTWIDMZDGKX-KRWDZBQOSA-N 312.373 1.261 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC(Nc2ncccn2)C1 238861598 KUGJLWORNSVAOC-UHFFFAOYSA-N 301.350 1.337 0 40 DDAB Cc1occc1C(=O)NNC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 245226505 ZSHCLNMZGHDSTQ-XRRVDJEJSA-N 318.329 1.262 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C)nc2)c1 31746989 DZTFGYFAXWKKPL-UHFFFAOYSA-N 319.386 1.228 0 40 DDAB CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NC(CC)CC)C1 40554435 OGAOWAJFEPBFTG-GFCCVEGCSA-N 312.410 1.483 0 40 DDAB O=C(NC1CCCCC1)c1nnn2c1[nH]c(=O)c1ccccc12 20739130 OIJPGQOINICVMQ-UHFFFAOYSA-N 311.345 1.633 0 40 DDAB CC[C@H](C)NC(=O)CSc1nn(-c2ccccc2)c(=O)[nH]1 32871483 SIUXMMWNQCIPDI-JTQLQIEISA-N 306.391 1.567 0 40 DDAB COc1ccc(CN(C)C(=O)NCCn2ccnc2)cc1O 52500515 AUBODCUAUASGQL-UHFFFAOYSA-N 304.350 1.439 0 40 DDAB Cc1ccc(Cl)cc1N1N[C@@H](O[C@H](C)C(=O)O)C=CC1=O 32918620 OEMVQYZSTAUHOE-SKDRFNHKSA-N 310.737 1.872 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)o1 32914042 TYXHMSBXPGOIOJ-UHFFFAOYSA-N 310.331 1.449 0 40 DDAB COC[C@H](C)NC(=O)Nc1ccn(CCc2ccncc2)n1 76021655 OAMFOWCOFVCYQL-LBPRGKRZSA-N 303.366 1.677 0 40 DDAB Cc1cc([C@@H]2NC(=O)c3ccncc3N2)ccc1-n1cncn1 76065215 HAJALERJRLOSQW-HNNXBMFYSA-N 306.329 1.825 0 40 DDAB CCO[C@@H](C)c1nc(CSc2n[nH]c(=O)n2C)cs1 76695799 DEGUMVPSHPBDOH-ZETCQYMHSA-N 300.409 1.955 0 40 DDAB CC[C@]1(c2c(F)c(F)c(N)c(F)c2F)CCC(=O)NC1=O 1620475 VQMSWWCIWKGHRH-CYBMUJFWSA-N 304.243 1.910 0 40 DDAB Cc1cccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)n1 78979923 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COc1cc2c(cc1OC)CN(C(=O)c1cc(C)n[nH]1)CC2 54126611 FTKZWIKMYDTYLU-UHFFFAOYSA-N 301.346 1.934 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CCNC[C@H]1C 54370789 ALUHOFAHROKXHK-SECBINFHSA-N 300.200 1.704 0 40 DDAB c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 107226374 KCZHCPKWLLGUEJ-CJNGLKHVSA-N 300.362 1.915 0 40 DDAB Cc1cccc(-c2nc(CC(=O)N3CCNC(=O)C3)cs2)c1 23420270 WKNQYTFJEBHUTB-UHFFFAOYSA-N 315.398 1.619 0 40 DDAB C/C=C\C(=O)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9120836 IMKNHJHTOBQMFS-QUCGXOGASA-N 304.302 1.433 0 40 DDAB OCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 47865167 PUMMQTZKCBMHHO-UHFFFAOYSA-N 303.431 1.920 0 40 DDAB COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)C[C@@H]1c1ccccc1 35327120 QQEODDDXXYDBAN-UKPHBRMFSA-N 306.358 1.690 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@H]1C[C@@H](O)CN1 37798089 IBBSDRKHRFMDEZ-ZYHUDNBSSA-N 313.195 1.130 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)SCc1cc(F)ccc1OC 71862854 BKHZMCCKHZGZEZ-MRVPVSSYSA-N 300.355 1.912 0 40 DDAB C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)CC(C)(C)O1 71831147 HJNXPEGLJYZYEV-SECBINFHSA-N 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O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(CCO)C2)C1 96225226 OPYZXVGJRGIYST-MRXNPFEDSA-N 303.362 1.228 0 40 DDAB c1cnc(N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)nc1 247832831 IBZSHTGIVRSLEB-CQSZACIVSA-N 321.446 1.984 0 40 DDAB CC(=O)N1CCC[C@]1(CCCc1nccnc1Cl)C(N)=O 257197631 FGKSUJAVIVIYDS-CQSZACIVSA-N 310.785 1.319 0 40 DDAB OCCN1CCC(c2cncc(Nc3ncccn3)n2)CC1 257211867 CAVPRNPXUGAYAC-UHFFFAOYSA-N 300.366 1.182 0 40 DDAB COCc1c(C(=O)N2CC[C@H]3NCCCC[C@H]3C2)noc1C 257267069 MFVBOWXIFCIYNI-GXTWGEPZSA-N 307.394 1.734 0 40 DDAB Cc1ncc(CN2CCOC[C@H]2CCc2nccnc2C)cn1 257313655 UTNSKNBRIMOWSU-MRXNPFEDSA-N 313.405 1.717 0 40 DDAB CN(C)Cc1cnc([C@@H]2CN(CCC(F)(F)F)CCO2)[nH]1 257303078 SFRFULVWDVZTIA-NSHDSACASA-N 306.332 1.797 0 40 DDAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)CN)n1 257223509 DXQXMGISKYISHL-GFCCVEGCSA-N 301.350 1.371 0 40 DDAB O=C(c1cnco1)N1CCC(c2cc(O)n3nccc3n2)CC1 257328126 XEGVZYLEHNAGAL-UHFFFAOYSA-N 313.317 1.443 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2CC2CCOCC2)n1 257327417 XBGDLMFUORORNB-INIZCTEOSA-N 318.421 1.676 0 40 DDAB c1cc2c(C[C@H]3COCCN(Cc4c[nH]cn4)C3)nccn2c1 257300232 RTPALFAVXAQRAI-CQSZACIVSA-N 311.389 1.749 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1ccccc1OC 257253404 JYUYCOWIQQBJCS-CJNGLKHVSA-N 320.389 1.103 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1 257244959 INMSHXWGANPLKP-JTQLQIEISA-N 306.347 1.161 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)C3CC3)CO2)C1 575406931 YJMPWKCXRAWSHH-BZPMIXESSA-N 306.406 1.176 0 40 DDAB CN1C[C@H](CO)CC12CN(C(=O)CCc1ccccc1Cl)C2 585093952 SDAPXGQGERHMNM-CYBMUJFWSA-N 322.836 1.798 0 40 DDAB C[C@@H](NCc1ccc(OCC(N)=O)cc1)[C@@H](C)n1cccn1 69418080 CINBDFPFAQHPFR-CHWSQXEVSA-N 302.378 1.487 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)c1 69489247 HDEPDBCINWYRNO-AWEZNQCLSA-N 300.362 1.368 0 40 DDAB CN1CCCSCCSCCCN(CCCN)CC1 68604879 ZOTILCDRTMFWHD-UHFFFAOYSA-N 305.557 1.829 0 40 DDAB Cc1cc(=NC2CCS(=O)(=O)CC2)nc(-c2cccs2)[nH]1 892805802 UAKOJAWAPGEUDU-UHFFFAOYSA-N 323.443 1.925 0 40 DDAB CN(C)C1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1 35247452 KWVYMXCZRAQMIR-UHFFFAOYSA-N 312.391 1.100 0 40 DDAB Cc1cnc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cn1 47175400 BNINUFQLSXZRHW-HNNXBMFYSA-N 310.357 1.488 0 40 DDAB CN(C)c1ccc(NC(=O)NCc2cccnc2N(C)C)cn1 48091093 NJKMXOYNXIOEEL-UHFFFAOYSA-N 314.393 1.930 0 40 DDAB Fc1cccc(-c2nnc3ccc(N4CCCNCC4)nn23)c1 1776001911 RRMSVJUPEFEVBJ-UHFFFAOYSA-N 312.352 1.730 0 40 DDAB COc1cc2c(cc1CNC(=O)Cc1cc(C)[nH]n1)O[C@H](C)C2 95431017 WWXFTBZAQYUEPU-LLVKDONJSA-N 315.373 1.909 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1csc(-c2ccco2)n1 88375907 QGFMJIXEZQOXBH-VIFPVBQESA-N 308.315 1.329 0 40 DDAB O=C1NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)N1 73227 SHIUIRCHXDVEPW-LREOWRDNSA-N 311.091 1.358 0 40 DDAB Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](CC(N)=O)C(=O)O 5536709 GHOBCTWNCIYZOG-LBPRGKRZSA-N 316.313 1.313 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169294451 OQFZTIKWMRRYSB-LOWDOPEQSA-N 317.297 1.066 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169302947 RFXLAFBMVCLYPX-DGAVXFQQSA-N 303.314 1.678 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCC[C@H]2O)cc1 6204995 MTGRWHDDDGKLLX-CHWSQXEVSA-N 312.391 1.286 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 225808478 RCOZAKRMOWEYNQ-OLZOCXBDSA-N 303.362 1.821 0 40 DDAB COCCN1CCC(CNS(=O)(=O)c2ccccc2)CC1 23127565 OEZLOYXGXYDZDB-UHFFFAOYSA-N 312.435 1.323 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccc[nH]1 4493075 YETDSFLSNSUIIH-UHFFFAOYSA-N 311.297 1.220 0 40 DDAB CCn1cc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)c(C)n1 2037983846 IESKYKZOCAOHKA-QGZVFWFLSA-N 320.437 1.425 0 40 DDAB CCSCC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCC(C)CC1 2056225171 FEQPCWDJPBITOL-CZUORRHYSA-N 310.463 1.989 0 40 DDAB CN1CCO[C@H]2CN(C(=O)c3cnn4ccccc34)CC[C@@H]2C1 1565550401 BZRWODLXICYPCD-CJNGLKHVSA-N 314.389 1.127 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@@H]2C1 1565545847 QMUHHAZSMRJLSS-ZWNOBZJWSA-N 311.332 1.153 0 40 DDAB O=C(CCc1ccccc1)Nc1nnc(C2=COCCO2)o1 4107221 VHKPIXRTJSWNBK-UHFFFAOYSA-N 301.302 1.986 0 40 DDAB Cc1nnc2sc(SCC(=O)c3ccccc3)nn2c1=O 4347107 UETGZXLTTMFERQ-UHFFFAOYSA-N 318.383 1.829 0 40 DDAB CCOC(=O)[C@](NCc1cccnc1)(NC(C)=O)C(F)(F)F 19938858 FCXFKPVSCMSTSG-LBPRGKRZSA-N 319.283 1.129 0 40 DDAB Cn1cc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)nn1 225677197 FOYYAIIBPBGGQJ-NSHDSACASA-N 300.318 1.174 0 40 DDAB CCc1cc(=O)n(CC(=O)Nc2ccccc2CC)c(N)n1 49410952 FICKRLKIVHRKPD-UHFFFAOYSA-N 300.362 1.589 0 40 DDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 2393167 TXVLZZURLLFWIE-VWPFQQQWSA-N 305.374 1.664 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)NC3CCC3)C[C@H]2C[C@@H]1O 2332242686 IBUPFQIIUKCNIO-XRGAULLZSA-N 318.421 1.697 0 40 DDAB Cc1ccc(C[C@H]2CCCN(CCC(=O)NC(N)=O)C2)cc1 51063821 NJUMZEGFZKOAHI-OAHLLOKOSA-N 303.406 1.835 0 40 DDAB CCOc1ncccc1NC(=O)N1CCC[C@H](CNC(N)=O)C1 40554861 RVSGXKSLRDAYPF-LLVKDONJSA-N 321.381 1.393 0 40 DDAB Cn1ccnc1COc1ccc(C(=O)NC[C@H]2CCCO2)cc1 40539788 SBVYOQRCYVCUQO-OAHLLOKOSA-N 315.373 1.908 0 40 DDAB COc1cc(NC(=O)c2nn(C)cc2C(=O)O)cc(OC)c1 20614562 MBAMYYCMRZIOND-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB O=C(NCc1ccccc1)c1nnn2c1[nH]c(=O)c1ccccc12 20735209 CFRXMJFVSYETOE-UHFFFAOYSA-N 319.324 1.501 0 40 DDAB Cc1nc2ncnn2c(O)c1CCOC(=O)c1ccccc1F 101600371 DIYAIZWRVOIBCZ-UHFFFAOYSA-N 316.292 1.677 0 40 DDAB CCNC(=O)CSc1nnc(-c2ccc(C)cc2)c(O)n1 32778610 KVWBMFKEYXIXFJ-UHFFFAOYSA-N 304.375 1.781 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(C)cc1 32736742 GCTXTXNBONPBCX-ZDUSSCGKSA-N 304.390 1.989 0 40 DDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2)C1 32771435 KJLFTAHMDIAEJS-SECBINFHSA-N 323.823 1.053 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](C(N)=O)C1 41129539 NAZQFGDFOFECPV-CYBMUJFWSA-N 306.410 1.032 0 40 DDAB CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1 33047831 QIDBKZWAOBXNAL-UHFFFAOYSA-N 324.324 1.590 0 40 DDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCCC2)c1 1353405 HCTFQMXEHIUOCW-UHFFFAOYSA-N 317.418 1.994 0 40 DDAB COc1cn(C)c(C(=O)Nc2ccc3c(c2)ncn3C)cc1=O 79497979 SAHPKWCDCYVUQS-UHFFFAOYSA-N 312.329 1.533 0 40 DDAB CC(C)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 22285558 HQUSCIBFHOFNKU-UHFFFAOYSA-N 303.406 1.103 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1)C(=O)N(C)C 46967622 SEEVZKYKUPRWOJ-UKRRQHHQSA-N 303.406 1.880 0 40 DDAB CCn1cnnc1CNC(=O)[C@H](C)OCc1cccc(OC)c1 47021759 NUYNELDREWFKTF-LBPRGKRZSA-N 318.377 1.528 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c(C)s1 6680044 RFSFGJSUOMXTIY-UHFFFAOYSA-N 320.461 1.154 0 40 DDAB O=C(NCC1CCC1)C(=O)Nc1cccc(N2CCNC2=O)c1 42020576 IEZWTWCQVXURGN-UHFFFAOYSA-N 316.361 1.071 0 40 DDAB O=C(O)C1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 37433248 HQBNJSSKVHMIDR-ZDUSSCGKSA-N 309.749 1.967 0 40 DDAB CCCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)cc1 54961279 CZJIGNZLOLBGCB-HNNXBMFYSA-N 304.390 1.639 0 40 DDAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O 57478801 CYPVVTJCMMLCFU-UHFFFAOYSA-N 321.402 1.257 0 40 DDAB O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])cc2c1OCOC2 9452863 DNNQSWHGSZUHFO-OQFOIZHKSA-N 324.339 1.950 0 40 DDAB CS(=O)(=O)N1CCCN(Cc2nc3ccccc3o2)CC1 24923925 ALANUUMGQUMRHP-UHFFFAOYSA-N 309.391 1.295 0 40 DDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2nccs2)C1 25529184 KUNQOEICBOBLGJ-WDEREUQCSA-N 311.407 1.745 0 40 DDAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NC1CC1 100162118 FNYMMGILWDMUAY-ZIAGYGMSSA-N 301.390 1.175 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1F 44502507 XIVXFZOCKXJQFS-JTQLQIEISA-N 302.371 1.112 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1NS(C)(=O)=O 10112880 RPHACBVBCFBMQT-LBPRGKRZSA-N 312.391 1.275 0 40 DDAB COc1cccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21 21948304 OHJFOHABJNLWCY-UHFFFAOYSA-N 321.340 1.584 0 40 DDAB COc1ccc(CN[C@H](C(=O)NC(N)=O)C(C)C)cc1OC 58121841 LVITWPBMWMIAOC-ZDUSSCGKSA-N 309.366 1.013 0 40 DDAB O=S(=O)(NCc1nnc2n1CCC2)c1ccccc1Cl 44894079 UEEXTZOZXJREGF-UHFFFAOYSA-N 312.782 1.356 0 40 DDAB O=C(Nc1ccc(N2CCOCC2)cn1)c1cn2cccnc2n1 48289128 BRDFEKKVZDCSCX-UHFFFAOYSA-N 324.344 1.213 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1 58249243 SZEZNTJIZXVEOO-GFCCVEGCSA-N 309.797 1.789 0 40 DDAB CCNC(=O)C1(NC(=O)c2ccc(N(C)C)nc2)CCCCC1 58208785 JATLGMKFRNXIJO-UHFFFAOYSA-N 318.421 1.716 0 40 DDAB 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DDAB C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)[C@@H](C)CO1 45447425 NTZNNCSPTNAZCV-RYUDHWBXSA-N 320.414 1.761 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC[C@H]2CCCO2)c1C 3480131 NIRKPENNJBEKAB-GFCCVEGCSA-N 322.361 1.286 0 40 DDAB C[C@H]1CN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1 110674609 KNZGEPYVGSFWQC-DGADGQDISA-N 310.438 1.560 0 40 DDAB CCn1cc(CN2CCCN(C(=O)c3cc(C)no3)CC2)cn1 69512501 RQXGFUXYCCNBSG-UHFFFAOYSA-N 317.393 1.548 0 40 DDAB O=c1c2ccccc2nnn1Cn1nnc(-c2cccc(F)c2)n1 12904043 VLMKIIFIIXAOPU-UHFFFAOYSA-N 323.291 1.090 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1SC(NC(=N)N)=NC1=O 13637722 FTVFHQVVOUSZIP-SNVBAGLBSA-N 319.390 1.059 0 40 DDAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 13710575 RBMKNXUQDLAQBE-ZDUSSCGKSA-N 304.390 1.795 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccc1F 6153993 ZFUOEILSDFUFLT-UHFFFAOYSA-N 311.316 1.921 0 40 DDAB CC(C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 69897854 NAWYIMLZSVRYPA-HNNXBMFYSA-N 303.406 1.928 0 40 DDAB CN1CC[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O 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O=C(NCCNS(=O)(=O)C1CCCCC1)c1ccccc1 72272306 HYWUOPFZZDLGNR-UHFFFAOYSA-N 310.419 1.669 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(CCOCC3CC3)C[C@@H]2C)CC1 84714446 LKDWAXLGAVYUKF-YJBOKZPZSA-N 323.481 1.288 0 40 DDAB CC(C)c1nsc(N[C@@H]2CCN(C3CCOCC3)C2=O)n1 95408665 SWOGYWPDMXSZFY-LLVKDONJSA-N 310.423 1.853 0 40 DDAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccnn1C 95452379 IHFXYQCKIYCFOS-LBPRGKRZSA-N 301.346 1.624 0 40 DDAB CC(=O)NCCC(=O)Nc1nnc(Cc2ccccc2F)s1 75134424 GYZXDCOJNPDNTR-UHFFFAOYSA-N 322.365 1.733 0 40 DDAB Cc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)c(N(C)C)n1 89626830 FYHHGYIGMQTOAC-LBPRGKRZSA-N 314.393 1.858 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccoc2C)cc1 26669826 ZTQKDPNKXNTQJF-UHFFFAOYSA-N 322.386 1.605 0 40 DDAB Cc1nn(C)c(C)c1CNc1nccc(=N[C@H]2CCCOC2)[nH]1 518672464 VNJZNXROJPOADS-ZDUSSCGKSA-N 316.409 1.452 0 40 DDAB COCCNCC(=O)Nc1ccc(CN2CCCCC2)cc1 35313633 ONKVTESNDNWXCV-UHFFFAOYSA-N 305.422 1.847 0 40 DDAB C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C[C@H](O)C2)[C@H](O)C[C@H]1C[C@@H](O)CC[C@]31C 123374489 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COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccoc3)C[C@H]2C1 96066002 ICSFAZXGPQDRGN-OAGGEKHMSA-N 322.405 1.269 0 40 DDAB Cc1cccc(CN2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)n1 96184602 PSBDDWHXCMCENZ-ZWKOTPCHSA-N 311.433 1.972 0 40 DDAB C[C@@H]([C@@H](C)N(C)CC(=O)N1[C@H](C)CCC[C@H]1C)S(C)(=O)=O 245287245 BQSMUFXGLRLKIO-SYQHCUMBSA-N 318.483 1.529 0 40 DDAB CCCO[C@@H]1CCCN([C@@H](C)C(=O)NC[C@H]2CCCO2)CC1 245305042 HTHVUGIRNLHBHC-ARFHVFGLSA-N 312.454 1.951 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@](C)(c2cc[nH]n2)C1 257239692 HQJGEQMMQWUXHX-AWEZNQCLSA-N 324.406 1.757 0 40 DDAB O=C(CCN1CCOCC1)N1CCC[C@H](Cc2ccccn2)C1 257337911 YUZHPUCMPSQOPA-MRXNPFEDSA-N 317.433 1.585 0 40 DDAB Cc1ccnn1CCC(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257305354 SPPNXIYPZREXKQ-AWEZNQCLSA-N 301.394 1.786 0 40 DDAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3S(=O)(=O)c1cccnc1 257241044 HWJSTDYMCKWANV-DRPJVOAASA-N 321.446 1.765 0 40 DDAB Cc1cnc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)cn1 253601971 YURQHQQIOZSKPA-CYBMUJFWSA-N 319.430 1.912 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c3ccccc23)[C@H]1O 585183678 SUOOXWBXNLMROC-BFYDXBDKSA-N 302.374 1.755 0 40 DDAB COCCCNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 25376834 HJCJHVYIERZVSM-OAHLLOKOSA-N 308.378 1.415 0 40 DDAB Cc1noc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)n1 46131627 PDSAIPIRHGDJOR-UHFFFAOYSA-N 307.253 1.766 0 40 DDAB CCN(C)C[C@H]1CCN(C(=O)Nc2cnn(CCOC)c2)C1 72304814 MYSFTVSJORWMQS-CYBMUJFWSA-N 309.414 1.335 0 40 DDAB O=C(NC1CCOCC1)N1CCC[C@@H](COc2ncccn2)C1 1776001766 KLHNJEJMGDEBIU-CYBMUJFWSA-N 320.393 1.456 0 40 DDAB c1cc(OC[C@H]2CCCN(c3ccc4nncn4n3)C2)ccn1 1776001654 FDVHKNYLSIKOPD-ZDUSSCGKSA-N 310.361 1.815 0 40 DDAB Cc1ncnc(OCC2CCN(C(=O)c3nc[nH]n3)CC2)c1C 1565522754 ZTKLLBAHUJUWLK-UHFFFAOYSA-N 316.365 1.143 0 40 DDAB Cc1cc(N)nc(S[C@@H](C(=O)NC[C@H]2CCCO2)C(C)C)n1 79133661 RLOPGGVMGGXTOF-DGCLKSJQSA-N 324.450 1.779 0 40 DDAB CC(C)c1cnc(S(=O)(=O)Cc2noc(C3CC3)n2)n1C 83029270 PNNKVEWEOLVBLP-UHFFFAOYSA-N 310.379 1.778 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(F)cc(Br)c1 40107342 NXPWXJFXAVWUTN-UHFFFAOYSA-N 317.158 1.844 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N=c1[nH]c2ccccc2[nH]1 5171124 GFFRMCFIRGPUER-UHFFFAOYSA-N 319.324 1.403 0 40 DDAB CC(C)CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850617 WNRKZDLVLVBORU-UHFFFAOYSA-N 315.373 1.233 0 40 DDAB Cc1cc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)on1 1889101219 SNNPQIRHKYAYRU-ZDUSSCGKSA-N 309.435 1.770 0 40 DDAB O=C1CN(Cc2nnc3n2CCC3)CCN1Cc1ccccc1 1889102710 YIVXFAGGOSBGHO-UHFFFAOYSA-N 311.389 1.069 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCC1 46466827 BPWZKMXSRUFCCA-SNVBAGLBSA-N 300.355 1.115 0 40 DDAB Cc1c(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)nc2ccccn12 1614931679 IAIJIUUDJAGOBE-UONOGXRCSA-N 314.389 1.045 0 40 DDAB CC1CCC(C(=O)N2C[C@H]3ON=C(C(=O)NC4CC4)[C@H]3C2)CC1 1565552819 XXRZQQSQSYLUIQ-DZYMPVBWSA-N 319.405 1.305 0 40 DDAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 1565555975 LFSPGPABVLVWGW-LSDHHAIUSA-N 308.422 1.269 0 40 DDAB CO[C@@H]1CCN(C(=O)CCc2ccc[nH]2)[C@H]1Cc1cnn(C)c1 2055729672 RTPVATUUIDOUIZ-JKSUJKDBSA-N 316.405 1.539 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2c(C)noc2C)C1 2055772202 HLZHWZSJTIDWLM-MRXNPFEDSA-N 317.393 1.225 0 40 DDAB O=C(Nc1cccc(F)c1)C1=NS(=O)(=O)c2ccccc2N1 33265396 STFKCLMDIQOAIO-UHFFFAOYSA-N 319.317 1.977 0 40 DDAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cccs1 28580290 OLXRXQYFUADSTB-UHFFFAOYSA-N 312.372 1.656 0 40 DDAB COc1ncccc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 40059495 VJVGZBYSGXNBQR-CQSZACIVSA-N 321.421 1.567 0 40 DDAB O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCN1CCOCC1 100698577 KZACKMNUBBKNTK-CHWSQXEVSA-N 312.797 1.226 0 40 DDAB O=C1C[C@H](N(C(=O)CCc2cc(F)ccc2F)C2CC2)C(=O)N1 100712252 LLHDSXXIEVFMLY-ZDUSSCGKSA-N 322.311 1.304 0 40 DDAB COc1ccc(CN(C)C(=O)CCCNC(=O)C2CC2)cc1 40513963 XQWXMCQZJLZHJM-UHFFFAOYSA-N 304.390 1.960 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(N2CCNC2=O)cc1 40514137 VFTNTSTWAYSJAD-GFCCVEGCSA-N 313.361 1.231 0 40 DDAB COc1ccc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc1OC 201256 CGKLNNVWWXENJJ-CYBMUJFWSA-N 323.374 1.705 0 40 DDAB CC(C)(C)c1noc(CCCC(=O)N2CCC(C(N)=O)CC2)n1 32656123 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CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 55485255 UUWLTRVSJCJWQT-TZMCWYRMSA-N 303.406 1.917 0 40 DDAB CC(C)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 25135918 GTDVIEUUONOHMW-UHFFFAOYSA-N 319.430 1.897 0 40 DDAB O=C(NCc1ccnc(N2CCCCCC2)c1)c1c[nH]nn1 107276410 DTHSHYFOCUVUFZ-UHFFFAOYSA-N 300.366 1.510 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccoc2C)cc1 25840379 SWVZBYUANOQGPT-UHFFFAOYSA-N 322.386 1.567 0 40 DDAB O=C(Cn1ccccc1=O)Nc1ccc2c(c1)OCCCO2 26396052 UIIZQMNUGLQICS-UHFFFAOYSA-N 300.314 1.648 0 40 DDAB CCN1[C@H](Cc2cccn2C)[C@H](O)c2ccccc2S1(=O)=O 35385072 KRHBKZJPBPVJEU-GDBMZVCRSA-N 320.414 1.694 0 40 DDAB Cc1ccc(-n2c(O)nc3nc(-n4ccnc4)ncc3c2=O)cc1 57352007 LZZNBVYYLPXGMC-UHFFFAOYSA-N 320.312 1.375 0 40 DDAB CCN1CCN(C(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)CC1 101278439 MDHZFQIXQMFLKW-VDERGJSUSA-N 320.433 1.844 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 101681837 JPCCKXXLIFFNNI-DRABBMOASA-N 315.325 1.554 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCc2cccs2)C1 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DDAB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc2c(c1)OCCO2 3357367 KBPHASNISTVRRC-QMMMGPOBSA-N 321.362 1.101 0 40 DDAB C[C@@H]1CCCN(CCNC(=O)NCc2ccc(N(C)C)nc2)C1 44969293 AGHCHECSIBHJMM-CQSZACIVSA-N 319.453 1.679 0 40 DDAB NC(=O)NC[C@H]1CCCN(C(=O)Nc2nnc(C3CC3)s2)C1 44972420 PPUARGILAQXCMZ-MRVPVSSYSA-N 324.410 1.328 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)[C@H](C)S(C)(=O)=O 44969486 NKDRQRKLDIHWAN-IUCAKERBSA-N 303.355 1.445 0 40 DDAB C[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CCc2ccccc2C1 44909727 GSDSXXKMQBROOR-ZIAGYGMSSA-N 313.405 1.402 0 40 DDAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)[C@H]1CCCO1 27888635 OFWSSEGEFUVJMW-SMDDNHRTSA-N 303.362 1.024 0 40 DDAB CN(C)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 58378469 VENQUHDCIARQCD-ZDUSSCGKSA-N 305.378 1.651 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(OC(F)F)c1C 58342343 KJQDBIRCCLQTOD-MRVPVSSYSA-N 301.293 1.852 0 40 DDAB CC(=O)Nc1nnc(CCc2nnc(NC(C)=O)s2)s1 2410843 SVVJYPXIXLMBDK-UHFFFAOYSA-N 312.380 1.092 0 40 DDAB CN(C)c1ccc(CNCc2nnnn2Cc2ccccc2)cn1 48343055 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Cc1nc(-c2ccccn2)nc(Sc2nnc(C)n2N)c1C 65563159 LRNAQQRHIWFQKH-UHFFFAOYSA-N 313.390 1.920 0 40 DDAB COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(N)=O)CC2)c1 6639612 QKIHUIZBYMADKY-ZZXKWVIFSA-N 318.373 1.441 0 40 DDAB Cc1c(C)n(CCN(C)C)c2ncn(CCN(C)C)c(=N)c12 6670454 DWRQJXCGUVPQNF-UHFFFAOYSA-N 304.442 1.057 0 40 DDAB CN(C)c1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 14791031 CRTSKZPQOGYLRP-UHFFFAOYSA-N 309.329 1.948 0 40 DDAB CCCCn1c(N)c(N(Cc2ccco2)C(C)=O)c(=O)[nH]c1=O 9153901 FUVVNGJQWWYFEI-UHFFFAOYSA-N 320.349 1.065 0 40 DDAB CN1C(=O)CN(C(=O)c2cc(Cl)[nH]c(=O)c2)c2ccccc21 96006715 NGSMHHOITOKJHG-UHFFFAOYSA-N 317.732 1.652 0 40 DDAB C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007786 ZKYXWNQWTVIWJK-IONNQARKSA-N 310.297 1.556 0 40 DDAB C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 68001311 VMXIWHJXIIPACC-TZMCWYRMSA-N 301.390 1.860 0 40 DDAB CNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 68739825 FCYXNWNKYGFZGQ-QMMMGPOBSA-N 311.432 1.969 0 40 DDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](Nc2ccccc2)C1 71862784 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COCCOCCCNC(=O)[C@@H](C)n1cnc2ccccc21 89478645 YOBRNXZVZIOXHK-CYBMUJFWSA-N 305.378 1.767 0 40 DDAB Cc1cccc(-c2ccc(C(=O)NCCCC(N)=O)c(=O)[nH]2)c1 75117632 RUDOLGIPSRCLFV-UHFFFAOYSA-N 313.357 1.346 0 40 DDAB NC(=O)CCn1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)n1 75140622 RGJBDYHUPVIOKQ-UHFFFAOYSA-N 315.308 1.631 0 40 DDAB O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)[C@H]1C[C@@H]1C1CC1 551923046 ZEDFGQIBLQCUPM-CBBWQLFWSA-N 304.394 1.416 0 40 DDAB Cc1nc2sc(C(=O)NCc3cccnc3)c(C)c2c(=O)[nH]1 31868319 LWYSSFATAQMRGD-UHFFFAOYSA-N 314.370 1.926 0 40 DDAB O=C(Cc1cncs1)N1CCCN(c2ncc(F)cn2)CC1 1057189781 GZCZRLBHILOSBP-UHFFFAOYSA-N 321.381 1.354 0 40 DDAB CN(C)c1ncc(CNC(=O)[C@@H]2CCc3ccccc3C2)n1C 565955229 YRSRZXCBYODWGX-OAHLLOKOSA-N 312.417 1.907 0 40 DDAB O=C(Cc1nc2ncccn2n1)N1CCCC[C@H]1c1cc[nH]n1 561067454 QKFIEHHMDKTHBW-LBPRGKRZSA-N 311.349 1.144 0 40 DDAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN(c3ncccn3)C2)CCO1 79482016 HBWLCTFEWHJIQQ-UONOGXRCSA-N 318.421 1.767 0 40 DDAB O=C1NC[C@]2(CCCN(Cc3noc(-c4ccco4)n3)CC2)O1 72148845 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1.026 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)C3=COCCC3)CCO2)n1 78889692 JYSGFOSGOBSQJC-GFCCVEGCSA-N 306.366 1.351 0 40 DDAB CCn1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cn1 89305805 VOFJRIQYULXOOF-LBPRGKRZSA-N 310.361 1.975 0 40 DDAB Cc1noc(C)c1C(=O)OCc1nc2ccsc2c(=O)[nH]1 5263281 JHENBQDTHHSESO-UHFFFAOYSA-N 305.315 1.946 0 40 DDAB Cn1ccnc1C1(O)CCN(C(=O)c2ccc(F)cc2)CC1 12114340 CZNDVZHXXDYXOM-UHFFFAOYSA-N 303.337 1.683 0 40 DDAB CCc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3occc3n12 12115465 NVJJZNSLPBBBDD-UHFFFAOYSA-N 316.361 1.719 0 40 DDAB O[C@H]1/C(=C\c2ccc3c(c2)OCO3)[C@@H](O)NN1c1ccccc1 13410512 KHEUSHUDNRYPMG-WJZHFJKWSA-N 312.325 1.460 0 40 DDAB Cc1nn2c(=O)cc(COC(=O)c3ccccc3F)nc2s1 15733945 KBIWCHFXYIEQFA-UHFFFAOYSA-N 319.317 1.956 0 40 DDAB COC(=O)[C@@H](C)CS(=O)(=O)NC(C)(C)c1cccc(F)c1 152036402 ZILSPSCBCNMCCC-JTQLQIEISA-N 317.382 1.789 0 40 DDAB NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257231503 GGZOUFXTLMBGRK-KOMQPUFPSA-N 301.434 1.930 0 40 DDAB C[C@H]1NCCC[C@H]1C(=O)NCc1ccc2c(c1)CCS2(=O)=O 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0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)N1CC(OC[C@H]2CCOC2)C1 1565523840 YFYOVZMWBKXVIN-NSHDSACASA-N 320.345 1.685 0 40 DDAB C[C@H]1SCC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 2711126 ZXAZDVIRKPSOSX-MRVPVSSYSA-N 312.778 1.769 0 40 DDAB CCN(CC)C(=O)CSc1nc(=O)n2cc(C)ccc2n1 4503671 YRRJANSTILDKNM-UHFFFAOYSA-N 306.391 1.358 0 40 DDAB O=C(/C=C/c1ccco1)N[C@@H]1CCN(c2nccn3cnnc23)C1 575617717 WIZPQGBNAZKUML-AAOUONPWSA-N 324.344 1.126 0 40 DDAB CCOC(=O)c1s/c(=N/C(=O)c2nn(C)cc2C)n(C)c1C 101338074 GPJCOYAMWAYXDW-CCEZHUSRSA-N 322.390 1.355 0 40 DDAB Cc1nn(C)c(C)c1CNCc1ccc(N2CCOCC2)nc1 30637007 AZKSRGADZXDFKQ-UHFFFAOYSA-N 315.421 1.558 0 40 DDAB NC(=O)CCn1c(SCc2ccccn2)nnc1C1CC1 31252242 SMVVBYJHZOVNPT-UHFFFAOYSA-N 303.391 1.718 0 40 DDAB CCOC(=O)N1CCN(C[C@H](O)c2c[nH]c3ccccc23)CC1 20461404 CZYNDGAOEOBFSN-INIZCTEOSA-N 317.389 1.975 0 40 DDAB COCCNc1nc(NCc2cccnc2)nc2nccnc12 31817518 KRBIISGUGJZXDZ-UHFFFAOYSA-N 311.349 1.485 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNCCCNS(C)(=O)=O)o1 51187463 ALCVTGDKGJXUNH-UHFFFAOYSA-N 312.395 1.007 0 40 DDAB CCc1ccccc1OCC(=O)NCC(=O)Nc1cn[nH]c1 51414505 KHQRGLFDJFHVTK-UHFFFAOYSA-N 302.334 1.106 0 40 DDAB CC(C)N1C(=O)C[C@H](NC(=O)Nc2ccc3c(c2)CCO3)C1=O 101631398 MARIDSZGJRLSMZ-LBPRGKRZSA-N 317.345 1.279 0 40 DDAB NC(=O)Cc1csc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1 21040391 MMEPTPWLOCQRCF-ULKQDVFKSA-N 321.402 1.505 0 40 DDAB OCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1 32616940 POFWGZDUHTYZNB-UHFFFAOYSA-N 311.345 1.537 0 40 DDAB C[C@]1(NC(=O)COc2ccc(F)cc2F)CCS(=O)(=O)C1 32878623 HZFUSAWBPIGXHN-ZDUSSCGKSA-N 319.329 1.037 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(C)C 52743920 LGLAZVSKCVPZAQ-OLZOCXBDSA-N 308.422 1.623 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)[C@H](C)CO1 46437610 ABZODCVTIFUXCS-VXGBXAGGSA-N 316.361 1.700 0 40 DDAB CC(=O)Nc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1 1328161 HCNLKNFGWPASPN-UHFFFAOYSA-N 322.324 1.633 0 40 DDAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc[n+]1[O-] 78429176 HUHNSMSYYVFCJJ-INIZCTEOSA-N 311.385 1.714 0 40 DDAB CCOCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1 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301.394 1.078 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1nc(-c3ccoc3)no1)CC2 69601210 AKOJLBSANTWFNM-NSHDSACASA-N 314.349 1.588 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCCN(Cc2cscn2)CC1 69699310 GVDVHEVCDLDAMO-CYBMUJFWSA-N 323.462 1.993 0 40 DDAB CCC(=O)N1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)CC1 69811230 ZECUFKWVVZTMAW-MRXNPFEDSA-N 315.417 1.808 0 40 DDAB CC[C@H]1CN(Cc2nnc(C3CC3)n2C)CCN1CCOC 69817456 WWONUWQRGWCFHR-AWEZNQCLSA-N 307.442 1.235 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1nc(C3CC3)no1)CC2 72302261 UCGAGPLMJOYPEM-UHFFFAOYSA-N 301.350 1.082 0 40 DDAB COc1ccc(-c2nnc(CN3CCn4ccnc4C3)o2)cc1 97201362 ZTVORYPFGLIQIC-UHFFFAOYSA-N 311.345 1.958 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)S(C)(=O)=O 84736500 SSVDKYFLZYNOOB-OCCSQVGLSA-N 324.446 1.677 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)CO)cc1I 95972147 DLCTYXFIWNFLNU-QMMMGPOBSA-N 319.142 1.710 0 40 DDAB CCNC(=O)C1CN(C(=O)c2ccc(Cl)cc2OCC)C1 95995253 MZGTWXKVGKAPRO-UHFFFAOYSA-N 310.781 1.947 0 40 DDAB C[C@@H](O)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95990190 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CC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)cc2)C1 4359972 HHPATCQOOCZMDF-STQMWFEESA-N 305.378 1.170 0 40 DDAB Cn1cncc1CN1CCOC[C@](O)(COc2ccccc2)C1 643914292 OAMQMSXCDGKIOS-KRWDZBQOSA-N 317.389 1.062 0 40 DDAB Cc1nc2ccccc2nc1N1CCO[C@H](C(=O)NC2CC2)C1 1889104438 XOEXDQCKUUETBN-HNNXBMFYSA-N 312.373 1.422 0 40 DDAB COC(=O)c1ccccc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 22228075 YBPCCMWYEGMGRT-RYUDHWBXSA-N 306.362 1.521 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1 22258808 UPDWTZSPAJUOQD-CYBMUJFWSA-N 310.419 1.484 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(C3CCOCC3)CC2)C1 2037835081 XGEDIXWRMYWFLR-INIZCTEOSA-N 310.438 1.657 0 40 DDAB O=C1NC[C@H](c2ccccc2)C12CCN(Cc1cn[nH]c1)CC2 1203090107 HZCYHRDWFHCUHM-MRXNPFEDSA-N 310.401 1.906 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)C1CC(F)(F)C1)CC2 1565552023 VXRCLXWOVRFBAL-UHFFFAOYSA-N 310.348 1.515 0 40 DDAB COCCN1CCC[C@@]12CCCN(C(=O)CC1(O)CCC1)CC2 1565544609 NWNVTFATNGEECM-QGZVFWFLSA-N 324.465 1.785 0 40 DDAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)c(C(=O)O)c1OC 518748 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DDAB Cc1ccc(C(=O)NC[C@@H]2CNCCCO2)c(F)c1Cl 565827943 QGMDJIYUSPQMFR-JTQLQIEISA-N 300.761 1.896 0 40 DDAB NC(=O)COc1ccc(C(=O)NCCc2cccc(F)c2)cc1 10101814 VJPZQIRWKWXARK-UHFFFAOYSA-N 316.332 1.662 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 6011755 NDCFBXPNWAGTFA-POGRKESZSA-N 311.378 1.590 0 40 DDAB Cc1ccc(N2CC(N(C)C(=O)NCc3ccccc3)C2)nn1 1888870132 DOMMSHLCJSBARN-UHFFFAOYSA-N 311.389 1.815 0 40 DDAB O=C(O)Cc1cnc(Cc2ccc(Br)cc2)[nH]c1=O 226100534 NAXAJHJAGKVRKP-UHFFFAOYSA-N 323.146 1.750 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Cl)c(Cl)c1 12999851 CZOXCYWAIQONNG-UHFFFAOYSA-N 314.128 1.482 0 40 DDAB O=S(=O)(c1cccnc1)N1[C@H]2CC[C@H]1c1cncnc1C2 244975163 IEKYSIAVMDOZIP-HZMBPMFUSA-N 302.359 1.322 0 40 DDAB CCC(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840459 NDHDIIYRZTZIHX-KRWDZBQOSA-N 320.364 1.960 0 40 DDAB Cc1cnc(C)c(OC2CCN(c3cc(=O)n(C)cn3)CC2)n1 2086939616 ZVXKRLWTTYTELC-UHFFFAOYSA-N 315.377 1.235 0 40 DDAB O=C(CN1CCC[C@H](NC(=O)C2CC2)C1)Nc1ccccc1F 1006530910 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CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccncc2)o1 32914016 JTDIVWOXQVBZKD-SECBINFHSA-N 309.347 1.074 0 40 DDAB Cc1nc(SCCOc2ccccc2)[nH]c(=O)c1CCO 11905769 ZJIFNLVILDXCSN-UHFFFAOYSA-N 306.387 1.784 0 40 DDAB CCOC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 2656371 YIHNDLZLQQBJPQ-GFCCVEGCSA-N 322.386 1.553 0 40 DDAB COC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cn(C)nc1C 2787137 BJBXAOUSZMOAQI-GFCCVEGCSA-N 320.374 1.162 0 40 DDAB CCC[C@@H]1OC[C@H]2O[C@@H](Nc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O1 1581980 UZXLTPMMECHNLB-YTQIUSBHSA-N 309.362 1.087 0 40 DDAB NC(=O)c1csc(C(=O)Nc2cnn(CC(F)F)c2)c1 72286863 KMIFIJRWTLSXQF-UHFFFAOYSA-N 300.290 1.561 0 40 DDAB Cc1cc(C)n(-c2cncc(NCCNC(=O)C(C)C)n2)n1 78979663 HMFDNAWSMHFQPT-UHFFFAOYSA-N 302.382 1.463 0 40 DDAB Cc1nn(C)cc1-c1nn2c(-c3cnn(C)c3)nnc2s1 79487665 YLYWZZBHAMBFRF-UHFFFAOYSA-N 300.351 1.295 0 40 DDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccoc1 33231677 QHERILRQNBDDGO-SNVBAGLBSA-N 308.359 1.760 0 40 DDAB CCOC(=O)[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)CC 72303228 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C[C@H]1c2ccsc2CCN1CC(=O)N[C@H]1CCCCNC1=O 106511576 WWVXQEBQDWSFKC-AAEUAGOBSA-N 321.446 1.452 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)c2scnc2C)cc1 55566997 IWABDUVTUMOWPN-UHFFFAOYSA-N 319.386 1.620 0 40 DDAB O=C1CCCN1CCCNS(=O)(=O)Cc1ccc(F)cc1 25371887 OWWVDSWDQFPYNJ-UHFFFAOYSA-N 314.382 1.258 0 40 DDAB CC1(C)O[C@@H]2O[C@@H](/C=C\[N+](=O)[O-])[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 104109211 PDOCTJUENKPCLN-FXZIMJBESA-N 301.295 1.173 0 40 DDAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCCO1 56273090 VDVXCAOYVCLSMC-HUUCEWRRSA-N 305.374 1.846 0 40 DDAB c1cn(C[C@H]2CO[C@@]3(COCCN(Cc4ccoc4)C3)C2)cn1 107738931 XSEIVZXKEXULGO-IRXDYDNUSA-N 317.389 1.784 0 40 DDAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)[C@H]1CCCO1 26399369 GHUBFEKQPANIEV-TZMCWYRMSA-N 320.389 1.867 0 40 DDAB O=c1n(CN2CCN(c3ccccc3)CC2)nc2ccccn12 57362637 KTAFWKHBCIFTLQ-UHFFFAOYSA-N 309.373 1.276 0 40 DDAB CCOc1cc(CNC(=O)c2ccc(=O)[nH]c2)ccc1OC 57416326 XLCHNUXCTRJLLS-UHFFFAOYSA-N 302.330 1.712 0 40 DDAB CCCNC(=O)CNC(=O)C1=Cc2cc(OCC)ccc2OC1 48062884 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COC(=O)c1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)o1 71886592 KCOXHBDINBPLLS-SNVBAGLBSA-N 323.326 1.478 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(c2ncnc3sccc23)C1 71830527 OFYASXXPNFERSN-SNVBAGLBSA-N 303.391 1.685 0 40 DDAB CC(=O)N[C@](C)(C(=O)N1CCC[C@H]1Cn1cc(C)cn1)C1CC1 70038917 CQSIAHBRXLYPAO-RDJZCZTQSA-N 318.421 1.487 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2C)C1 71870625 MVMJETVUTADWGI-KGLIPLIRSA-N 322.434 1.276 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(F)cc1 8378931 FHWLRVPVRBWRDW-UHFFFAOYSA-N 319.336 1.307 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccoc1 69461220 KCNWDSZXKWPJEZ-UHFFFAOYSA-N 300.318 1.091 0 40 DDAB CN1N=C(C(=O)N[C@H]2C[C@@H]2c2ccccc2Cl)CCC1=O 69507761 CJVGSKBRIZGUSS-MFKMUULPSA-N 305.765 1.920 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 69706950 JZRHYXJYMMDEBU-NSHDSACASA-N 321.402 1.542 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cccc3cccnc23)CC1 69815254 ZVOHARAOHIUPJR-HNNXBMFYSA-N 313.401 1.764 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)NCc1ccccc1 95948636 MAWCMDBYIKZHIA-UHFFFAOYSA-N 322.386 1.523 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2c2ccc3nnnn3n2)n1 89594121 LLUVKPVJKKWHJD-CYBMUJFWSA-N 312.381 1.392 0 40 DDAB C[C@H](CNC(=O)c1cn(C)c2ccccc12)CN1CCOCC1 75143413 HJELZJJGQJZANZ-CQSZACIVSA-N 315.417 1.876 0 40 DDAB CCOc1nc(N2CCOC[C@H]2C)ncc1Br 75110532 NWMROQPQOBBMIQ-MRVPVSSYSA-N 302.172 1.863 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@@](C)(O)CCC(C)C)cn1C 89709015 ZIGYRCOCUFKYBQ-ZDUSSCGKSA-N 303.428 1.194 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1CCN(C2=NC[C@@H](C)S2)CC1 89927889 ATIHVEWCVFYKDQ-UONOGXRCSA-N 324.494 1.496 0 40 DDAB C[C@H](Cc1ccsc1)N(C)CC(=O)N[C@@H]1CCSC1=O 89904288 UBNYFXINPVEUBT-ZYHUDNBSSA-N 312.460 1.759 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F 1548448150 OHFQVVHBTREXQE-NXEZZACHSA-N 306.259 1.561 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc(O)c(OC)c1 408730818 IVPWUYNXWGWPGD-CYBMUJFWSA-N 321.333 1.178 0 40 DDAB O=C1C=C(Nc2ccc(N3CCCCS3(=O)=O)cc2)CN1 524732409 ZVBCFMJRLCYCFO-UHFFFAOYSA-N 307.375 1.042 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCCc2ccccn2)C1 76378020 HHUBEWYBUPSLQB-LSDHHAIUSA-N 324.446 1.876 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1N 218209438 WUZBETBPAMOOCP-HBNTYKKESA-N 304.209 1.677 0 40 DDAB Cc1cc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ccn1 72366749 XEEBVPYMEOYDOC-AWEZNQCLSA-N 320.418 1.692 0 40 DDAB Cn1ccc(C(=O)N2CCC[C@@](C)(c3cc[nH]n3)C2)cc1=O 72386108 WMRSKXVBLQXUSU-MRXNPFEDSA-N 300.362 1.302 0 40 DDAB Cc1cc(CS(=O)(=O)N[C@@H]2CNC[C@H]2c2ccccc2)on1 563673701 VPNPFPLQXBGTAI-LSDHHAIUSA-N 321.402 1.158 0 40 DDAB Cc1cccc(N2CCN(C[C@@]3(O)CCCN(C)C3)CC2)c1 41124054 FFQROCJKVDPWSO-GOSISDBHSA-N 303.450 1.574 0 40 DDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccccc2)n1 224189393 SFTKUFSEHLBOGS-UHFFFAOYSA-N 306.391 1.330 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1c1cccc(F)c1 46088777 FROMXEXHUKPELN-UHFFFAOYSA-N 314.320 1.613 0 40 DDAB CCC[C@@]1(CO)CCN(C(=O)N=c2ccc(C3CC3)n[nH]2)C1 571544151 HKDURZLEHVAZRU-MRXNPFEDSA-N 304.394 1.792 0 40 DDAB COc1cncc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)n1 225395292 WTALMPJFQOOPQL-LBPRGKRZSA-N 319.386 1.769 0 40 DDAB CN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC2CC2)c1 225507015 KZPFUYODOVIHEV-UHFFFAOYSA-N 307.375 1.824 0 40 DDAB COc1ccc(Cn2cc(NC(=O)N[C@H](C)CCO)cn2)cc1 225485201 HBGSZHDNTSGUIM-GFCCVEGCSA-N 318.377 1.832 0 40 DDAB Cc1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)cc1C 223444294 ZZJXYNKYSZPLOO-UHFFFAOYSA-N 302.330 1.983 0 40 DDAB C[C@@H](CCN(C)C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 96455031 MQJQOVYFYFDXCC-RYUDHWBXSA-N 324.391 1.605 0 40 DDAB CC(C)(C)SCC(=O)N1CCC[C@H]1CN1CCOCC1 96431546 VVPHHBPRQLPBPU-ZDUSSCGKSA-N 300.468 1.841 0 40 DDAB O=S1(=O)c2ccccc2O[C@H]2CCNCC[C@@H]2N1CC1CC1 96145886 QROSXXQPQTWCOZ-KBPBESRZSA-N 322.430 1.600 0 40 DDAB CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCN(C)C2)cc(=O)[nH]1 96495039 OCHIMBXTRRNZGF-ZDUSSCGKSA-N 305.422 1.597 0 40 DDAB C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)O1 96485675 BNIJYIGRCGPPFT-LNSITVRQSA-N 305.378 1.551 0 40 DDAB O=c1ccc2c(n1CC1CC1)CC[C@@H](NC1CCOCC1)C2 96189750 FZQDLYJVROKDAI-MRXNPFEDSA-N 302.418 1.884 0 40 DDAB CN(C)C(=O)CCOC(=O)c1ccn(-c2c(F)cccc2F)n1 96456364 NMWHRKSGVRSEHL-UHFFFAOYSA-N 323.299 1.786 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)ccc1C 236755387 NVZXGCUOPZAGMJ-ZDUSSCGKSA-N 304.346 1.890 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 245339459 SZTZGIGSAZCYJV-QEJZJMRPSA-N 324.446 1.452 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(c3ncccn3)CC2)C1 257284110 PBGJBYRXQPZIMP-CQSZACIVSA-N 304.394 1.473 0 40 DDAB O=C(CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1)N1CCCC1 257202228 AKZSVIRXWORTNV-CQSZACIVSA-N 313.405 1.760 0 40 DDAB COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2CCCS2)C[C@H]1C 252501312 UDURXPOTQUJOKM-JTNHKYCSSA-N 300.424 1.723 0 40 DDAB Cn1nccc1CNC(=O)CCc1nc(-c2ccccn2)no1 24650707 BAWVFMNOVXAFAS-UHFFFAOYSA-N 312.333 1.114 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(CC(N)=O)cs1 24687941 MUZFGGJXOCIEEO-QMMMGPOBSA-N 323.349 1.716 0 40 DDAB CC(C)(N)C(=O)N1CCC2(CC1)CO[C@H](Cc1cccnc1)C2 257263211 LOXDGENGZNAAQK-OAHLLOKOSA-N 317.433 1.759 0 40 DDAB O=C(c1ccncn1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257321889 WDRRRZVCWDTTGJ-FRRDWIJNSA-N 310.361 1.229 0 40 DDAB O=C(O)c1cccc(O[C@@H]2CN(Cc3cccnc3)C[C@H]2O)c1 257257778 KRAGGYXWOCKSEY-HZPDHXFCSA-N 314.341 1.404 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)cn1 257294313 QTNLSECRWJPYJA-GFCCVEGCSA-N 312.377 1.252 0 40 DDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1cc[nH]n1 585110666 YLLNPTNZMVGTHG-CYBMUJFWSA-N 312.373 1.269 0 40 DDAB Cc1cc(C)cc(OC[C@@H](O)CN[C@@H]2CCc3ncnn3C2)c1 69769933 UQIRLYVGFQRARI-CABCVRRESA-N 316.405 1.239 0 40 DDAB COCCN1CCN(CC[S@@](=O)c2ccccc2)C[C@H]1C 69969862 OAWSTDKIYXKQKL-VFNWGFHPSA-N 310.463 1.447 0 40 DDAB CS(=O)(=O)NCC1CCC(C(=O)Nc2ccccc2)CC1 36709683 XZYPQAGSFAKBPX-UHFFFAOYSA-N 310.419 1.981 0 40 DDAB CSCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 53996800 RBLZHJNJOWRFRO-UHFFFAOYSA-N 321.446 1.685 0 40 DDAB C[C@H]1C[C@H]2NC(=O)C[C@H]2[C@@H]1CNC(=O)NCc1ccccc1 1775964443 VKSWUDGHGMTDFM-SPWCGHHHSA-N 301.390 1.647 0 40 DDAB biogenic,in-vitro C[C@H](Oc1ccccc1)C(=O)N1CC(OC[C@@H]2CCOC2)C1 1565522481 ISEZDOPHMFNTPN-UONOGXRCSA-N 305.374 1.718 0 40 DDAB Cc1ncc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)s1 76059235 VASKMOXHNWOPJF-IINYFYTJSA-N 308.407 1.262 0 40 DDAB CCc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)n[nH]1 79106533 AUAQAWKXHRDEMU-UHFFFAOYSA-N 323.374 1.868 0 40 DDAB Cc1nnc2c(N(C)Cc3ccc4c(c3)OCCO4)nccn12 515627009 FQEPXPLONRLVMJ-UHFFFAOYSA-N 311.345 1.840 0 40 DDAB Cc1csc2c(=O)n(CCCS(=O)(=O)C(C)C)cnc12 195410415 APASWMAMAMFILC-UHFFFAOYSA-N 314.432 1.980 0 40 DDAB CCc1ccc2c(COC(=O)[C@H](C)NC(C)=O)cc(=O)oc2c1 12797502 FVUGHPDCIHQSNA-JTQLQIEISA-N 317.341 1.923 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCN(c2ncccn2)CC1 13947344 QDADCIZTNPFLTO-UHFFFAOYSA-N 318.402 1.129 0 40 DDAB CC(=O)[C@H]1[C@H](c2cccc(O)c2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 35388689 AFKNGHZKARADIB-NCOADZHNSA-N 304.342 1.610 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 225429129 SMYBTOVFCCJZIT-CYBMUJFWSA-N 315.377 1.429 0 40 DDAB COc1ccc(Cl)cc1C(=O)N1CCn2nnc(CO)c2C1 560652634 PRRKWBHDUUPTLO-UHFFFAOYSA-N 322.752 1.088 0 40 DDAB COc1cccc(NC(=O)[C@H](C)OC(=O)CCNC(C)=O)c1 11776021 FBXDLOANXLDJRV-JTQLQIEISA-N 308.334 1.092 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cncc(F)c3)C2)nn1 1888849847 AXVPJDUYCBKAFY-GFCCVEGCSA-N 316.336 1.860 0 40 DDAB O=C([C@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCCCC1 1888903964 OYKJTADEEUVPTK-MRXNPFEDSA-N 319.405 1.765 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nc(C(F)(F)F)cs2)CCO1 1889065368 KIGFDKPNLSOECZ-QMMMGPOBSA-N 321.324 1.646 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CC(Cn2ccnc2)C1 1889211623 MSCGCTUMUBMFPC-UHFFFAOYSA-N 308.345 1.236 0 40 DDAB NC(=O)[C@]1(F)CCN(Cc2cccc(Br)c2)C1 1849308092 KDBPFYNFTHVZAE-LBPRGKRZSA-N 301.159 1.848 0 40 DDAB CCCN(CCC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 23390318 FFMRBKDSPSCXMU-UHFFFAOYSA-N 320.436 1.145 0 40 DDAB Cc1csc(C(=O)N2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1 2055772873 OZOMOOJZFSHPEU-OLZOCXBDSA-N 304.415 1.997 0 40 DDAB CCn1nc2c(=O)n(-c3ccc(C)c(Cl)c3)ccn2c1=O 2298067704 ZQEMHWVAVVXMJN-UHFFFAOYSA-N 304.737 1.629 0 40 DDAB c1csc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)n1 2298180917 GMVRPIJBKBABLH-GFCCVEGCSA-N 319.434 1.972 0 40 DDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccco1 101572264 RSBHXLBKJYNYHB-AUZPSNTRSA-N 314.341 1.207 0 40 DDAB COCCOc1ccc(N[C@@H]2CC(=O)N(C3CC3)C2=O)cc1 30520160 RJAOSWPCDKIMSE-CQSZACIVSA-N 304.346 1.414 0 40 DDAB CCc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12 94487 QQFPHCSLXCSEOU-UHFFFAOYSA-N 324.340 1.707 0 40 DDAB C[C@H](NC(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 100119588 FMMXRCKZVXQYFD-RTXFEEFZSA-N 319.361 1.600 0 40 DDAB CN1CCCN(C(=O)[C@@H]2CCCO2)c2nc3ccccc3nc21 40462804 QJVUMHXHYSCMKJ-AWEZNQCLSA-N 312.373 1.982 0 40 DDAB CC(=O)Nc1cc(O)c2c(c1O)[C@H]1CCS(=O)(=O)C1=C(C)C2 100690560 JEMNARLUIWWXGV-SECBINFHSA-N 323.370 1.788 0 40 DDAB O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl 40527164 JOAUJLANLOFOLL-JTQLQIEISA-N 320.773 1.426 0 40 DDAB COc1cccc(NC(=O)c2c(C(=O)O)cnn2C)c1OC 20614958 DUYXVVYEDFKLDZ-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB Cc1ccccc1C(=O)NCCC(=O)O[C@@H](C)C(=O)NC1CC1 32776537 KSYCYBOAAVGCGO-LBPRGKRZSA-N 318.373 1.325 0 40 DDAB O=C1NCCN1C1CCN(c2nccc(C(F)(F)F)n2)CC1 52486939 HNEAFPDKUANLEV-UHFFFAOYSA-N 315.299 1.489 0 40 DDAB CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21873336 ZBMFBDNESGYWRD-LBPRGKRZSA-N 318.373 1.583 0 40 DDAB c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1 236278 CNOIKUBUODKJTD-UHFFFAOYSA-N 300.362 1.303 0 40 DDAB CCOC(=O)c1ccc(Nc2nc3nonc3nc2N)cc1 303433 GWVCPXQMQGJOMI-UHFFFAOYSA-N 300.278 1.515 0 40 DDAB COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 2647186 QRUBGLDLOMBGPC-UHFFFAOYSA-N 323.356 1.665 0 40 DDAB CCNC(=O)c1ccc(NCCNC(=O)CC2CCCC2)nc1 78808773 AZBNFFQRMZSLDL-UHFFFAOYSA-N 318.421 1.940 0 40 DDAB C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)[C@H]1CCN(C)C1=O 78932632 NHMXLMHTRYCNJL-FZMZJTMJSA-N 320.364 1.724 0 40 DDAB O=C(NCCCc1cccc(F)c1)N1CCC2(C1)OCCO2 78952855 PVOFLVZBWIMRCQ-UHFFFAOYSA-N 308.353 1.917 0 40 DDAB CCOC[C@H](O)CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 79099844 PXUFHSZIJDXZNB-UKRRQHHQSA-N 300.443 1.257 0 40 DDAB Cn1cccc1CNC(=O)CC1(Cn2cnnn2)CCCCC1 79486224 MCKZBQVUJOIJRH-UHFFFAOYSA-N 316.409 1.669 0 40 DDAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3580294 AZYZJUNQWINVEE-NSHDSACASA-N 319.434 1.974 0 40 DDAB CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 3959128 PUBFKRMZYRISMK-HOSYDEDBSA-N 320.242 1.636 0 40 DDAB COCCNC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 4835865 VOPQRNWQWCHYSL-UHFFFAOYSA-N 320.418 1.739 0 40 DDAB CC(C)c1noc(CCCC(=O)NCC(=O)N2CCCCC2)n1 46823081 DCFZCGHHVIZKSK-UHFFFAOYSA-N 322.409 1.644 0 40 DDAB CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 7073683 VYOJUDRHAAJQQJ-VIFPVBQESA-N 304.268 1.531 0 40 DDAB CC(=O)Nc1cc(C(=O)N(C)CC(=O)N2CCCC2)ccc1F 53790881 ZQYMJSXWRYVONR-UHFFFAOYSA-N 321.352 1.479 0 40 DDAB C/C=C/C(C)=C/[C@@H](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1 100304116 ATUBIBZJAGAIBW-RNKVQOHSSA-N 307.390 1.908 0 40 DDAB in-vitro Cc1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)n(C)n1 47102015 UNLBIRZIAMKPEC-LBPRGKRZSA-N 315.381 1.309 0 40 DDAB CCOc1nnc(CN[C@@H]2CCc3nc(C(C)C)nn3C2)s1 71871837 VJADFCMAPGBSHG-SNVBAGLBSA-N 322.438 1.756 0 40 DDAB Cn1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cc1=O 71865208 ORZVDKCTTMSEDC-CQSZACIVSA-N 300.362 1.277 0 40 DDAB O=c1nc(SCc2ccncc2)c2c(n1CCO)CCC2 10256632 WBPTTXQPHZLUSS-UHFFFAOYSA-N 303.387 1.412 0 40 DDAB O=c1c2ccncc2ncn1C[C@@H](O)c1c(F)cccc1F 97080160 COOIIBJEQASFPX-CYBMUJFWSA-N 303.268 1.803 0 40 DDAB C[C@@H](NC(=O)c1cccnc1)c1ccc(S(N)(=O)=O)cc1 23445710 BPXAMHRZIIAGGY-SNVBAGLBSA-N 305.359 1.220 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2ccncc2)no1 12408725 GORKASHHQGMCGP-UHFFFAOYSA-N 324.296 1.790 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)[nH]n1 71823441 MFNUAVSNLTYXMC-YPMHNXCESA-N 312.373 1.803 0 40 DDAB COc1ccccc1CCNC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102353549 HUFBTXFPSGZORT-AJNGGQMLSA-N 317.341 1.008 0 40 DDAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Br)cn1 61860253 JOTRLIWUSUXRDU-JTQLQIEISA-N 313.151 1.923 0 40 DDAB NS(=O)(=O)c1cccc(CNC(=O)CCc2cccs2)c1 25269832 YOXUJBNTUQPXFJ-UHFFFAOYSA-N 324.427 1.645 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n(C)n1 71833014 FINZPROULIMAKO-UHFFFAOYSA-N 319.796 1.739 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl 56276577 XZDKGKRREBSRQG-CMPLNLGQSA-N 309.797 1.930 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CCO)cc2)cc1 58161633 PCMSTGBBPKXVJS-UHFFFAOYSA-N 319.382 1.877 0 40 DDAB C[C@H]1CCc2c(sc3c2C2=NS(=O)(=O)CCN2C=N3)C1 3285360 KANYLSVHQLJLHA-QMMMGPOBSA-N 309.416 1.938 0 40 DDAB COC[C@@H](O)CNC(=O)CCCC(=O)c1ccc(OC)cc1 83897923 WTVAYDCQLXADPO-ZDUSSCGKSA-N 309.362 1.172 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)NCC2(c3ccccc3)CCC2)CCO1 51681165 BXLYJFBVNXAFJO-AWEZNQCLSA-N 317.389 1.004 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 10746256 XRBXXSFLGXXKFI-SECBINFHSA-N 323.201 1.632 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 28909451 NSNRBLUGWWNKRU-HZPDHXFCSA-N 322.380 1.182 0 40 DDAB Cc1noc(CCCNC(=O)NC[C@@](C)(O)c2ccccc2)n1 72284997 WKXBQHWNEJNPOZ-MRXNPFEDSA-N 318.377 1.518 0 40 DDAB CCN(Cc1nnnn1Cc1ccccc1)C[C@@H]1CCOC1 48302917 VGTNZKCJKCTLGA-HNNXBMFYSA-N 301.394 1.580 0 40 DDAB CCCC(=O)N1CCCN(S(=O)(=O)Cc2ccccc2)CC1 48309463 PYJAWIYPDCLUDS-UHFFFAOYSA-N 324.446 1.851 0 40 DDAB O=C(COc1ncnc2sccc12)NC(=O)NC1CCCC1 3518190 QDCOSKMJIIMFQL-UHFFFAOYSA-N 320.374 1.839 0 40 DDAB O=C(CN1CCC(O)CC1)Nc1cc2c(cc1Cl)OCO2 13017061 MUWHUJRWLCSOPG-UHFFFAOYSA-N 312.753 1.464 0 40 DDAB Cc1oc2ncn(CC(=O)NC3CCCC3)c(=O)c2c1C(=O)O 13056152 ONCQOYGQPSXEEU-UHFFFAOYSA-N 319.317 1.055 0 40 DDAB CS(=O)(=O)NCCCN(Cc1ccco1)C1CCCC1 49067937 IBNBBOJKZSJBHR-UHFFFAOYSA-N 300.424 1.964 0 40 DDAB O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccc(F)cc1 65232616 LCYCHTZXJPXQNO-UHFFFAOYSA-N 311.320 1.865 0 40 DDAB Cc1cccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 4399857 ZJFPNYQAZRMYPG-KKUMJFAQSA-N 301.390 1.723 0 40 DDAB Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(O)N(C)C2=O)c1 9183981 ASWDCSZKIJFWLL-GFCCVEGCSA-N 315.251 1.369 0 40 DDAB COc1ccc(-n2nc(NC(=O)NCCN(C)C)cc2C)cc1 96000229 NDYNKBXZCAURGN-UHFFFAOYSA-N 317.393 1.872 0 40 DDAB Cc1ccc2c(CC(=O)N[C@H]3CCS(=O)(=O)C3)coc2c1C 6809896 LPQFIFRNRPFQNE-ZDUSSCGKSA-N 321.398 1.895 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)c3ccccn3)cnc12 9364635 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96475993 XPPDIVLVKCHTQT-UHFFFAOYSA-N 310.398 1.738 0 40 DDAB CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C)no2)CCN1C[C@@H](C)O 72279740 YCCSODLGPBXRTE-HZSPNIEDSA-N 324.425 1.087 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccon2)C1 84259235 MRIKJMMIZVLXIB-AWEZNQCLSA-N 304.350 1.594 0 40 DDAB C[C@H]1CN(c2ccc(Br)cn2)CCS1(=O)=O 97142370 VJCSSFKCCJYYRL-QMMMGPOBSA-N 305.197 1.467 0 40 DDAB C[C@H]1CCCC[C@H]1OCCNC(=O)CSc1ncnn1C 97114378 DISOAJDZEHJJDU-NWDGAFQWSA-N 312.439 1.619 0 40 DDAB CCCC(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCC2)CC1 84739785 GQVRYCMFNSDJCI-UHFFFAOYSA-N 324.421 1.929 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc3nccnc3n1)CC2 95400774 CKQSFYVNYJDQHM-ZIAGYGMSSA-N 314.389 1.781 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1-n1cnnn1 95447871 BUXGTXYLOSYHEZ-HOTGVXAUSA-N 321.340 1.050 0 40 DDAB Cc1ncc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)s1 73868584 OZWWVXCAICKHSH-ZDUSSCGKSA-N 324.450 1.458 0 40 DDAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)n[nH]1)N1CCSCC1 95979113 ZEVVKPYQJMPBIU-ZETCQYMHSA-N 308.329 1.804 0 40 DDAB COc1ccc(OC)c(C(=O)N(CC(=O)O)C[C@@H]2CCCO2)c1 95970201 BAUQOLFTMMROIA-LBPRGKRZSA-N 323.345 1.410 0 40 DDAB CCC[C@](C)(NC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)O 95989402 VWMCLNKBFVOLNO-INIZCTEOSA-N 316.361 1.569 0 40 DDAB Cc1ccc(C(=O)[C@@H](C)n2cnc3c(=O)[nH]c(=O)n(C)c32)cc1 26441992 YKFLEMFSNWDIFK-SNVBAGLBSA-N 312.329 1.176 0 40 DDAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)[nH]n2)o1 178666958 UWDXZYPQPLGCQK-SNVBAGLBSA-N 303.318 1.915 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)Nc1ccncc1 79358763 VKUSASMGPUOWEE-AWEZNQCLSA-N 314.345 1.987 0 40 DDAB O=C(NCCc1ccncc1)C1CN(C(=O)c2cccs2)C1 62022616 OCGLSMUERHAFPX-UHFFFAOYSA-N 315.398 1.574 0 40 DDAB CNc1ncccc1CN1CCCC[C@@H]1CCNC(=O)COC 72344647 CCAKXXNBISXOQA-OAHLLOKOSA-N 320.437 1.631 0 40 DDAB CCOC[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218487126 ONIIGKKBVHFCNV-FRRDWIJNSA-N 303.811 1.584 0 40 DDAB c1cnc(N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)nc1 72359250 YDLBADVOCPHLJV-CYBMUJFWSA-N 307.361 1.836 0 40 DDAB CO[C@](C)(C(=O)NCc1cccc(CO)n1)c1ccccc1F 521394412 OWWBRCCVPHTLFU-KRWDZBQOSA-N 318.348 1.891 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241691 XJXLNJBDKBIZRM-HUUCEWRRSA-N 308.353 1.592 0 40 DDAB CN1CCC[C@@](O)(CN2CCN(c3ccccc3F)CC2)C1 46087401 VHECUSNXWCEEGB-KRWDZBQOSA-N 307.413 1.404 0 40 DDAB Cn1cc(C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 80784809 LXWCJEQEJHTVJF-LLVKDONJSA-N 311.432 1.735 0 40 DDAB Cc1occc1S(=O)(=O)Cc1cc(=O)n2cccc(C)c2n1 191102248 HSBMRFBBEYEAKD-UHFFFAOYSA-N 318.354 1.878 0 40 DDAB COC(=O)c1cc(NC(=S)NCCN(C)C)ccc1Cl 44385450 WJSYHVQQZDVYLE-UHFFFAOYSA-N 315.826 1.975 0 40 DDAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccoc3)C2)n1 225499182 PFMAVTIIBBFCGX-LBPRGKRZSA-N 303.318 1.762 0 40 DDAB O=C1N(CCN2CCc3ccccc32)C(O)=NC12CCOCC2 330238094 UZMQJHUUJFGCKD-UHFFFAOYSA-N 315.373 1.355 0 40 DDAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)CCc2cccn2C)C1 194994621 QZDBZUQSSRAPJB-HZSPNIEDSA-N 321.421 1.987 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(C[C@@H]2CCOC2)CC3)cn1 96255219 JQCCEGLLSPDYRH-ZDUSSCGKSA-N 313.405 1.314 0 40 DDAB Cc1ccsc1S(=O)(=O)N1CCc2ccnc(O)c2C1 332026182 UIMZHDYUTKICHQ-UHFFFAOYSA-N 310.400 1.904 0 40 DDAB CCN1C(=O)[C@@H]2[C@@H](c3ccccc3)N(C(C)C)C(=O)[C@@H]2C1=O 144574404 SDICSAVCPSQWQE-MELADBBJSA-N 300.358 1.599 0 40 DDAB C[C@@H]1CN(Cc2ccsc2)C[C@]12CCN(CCN(C)C)C2=O 96201643 BWALEPSYTHRCQS-RHSMWYFYSA-N 321.490 1.980 0 40 DDAB CC(C)(C)OC(=O)N[C@H](NC(=O)OCc1ccccc1)C(=O)O 142639476 LZKLCCQMIRWDCR-NSHDSACASA-N 324.333 1.848 0 40 DDAB O=C(CCNC(=O)c1cnccn1)NCc1c(F)cccc1F 96232236 UQRBOYOZEPAIEM-UHFFFAOYSA-N 320.299 1.191 0 40 DDAB Cc1cc(C)nc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)n1 97229188 JRZORFQBQKDPKT-SNVBAGLBSA-N 302.300 1.693 0 40 DDAB COCCN1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 96250815 JVVILNMTFZKQSX-GVDBMIGSSA-N 306.406 1.724 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@H]1O2 96252992 SDIQSBHOIWOMAT-IXDOHACOSA-N 300.402 1.802 0 40 DDAB COc1ccc(N2CCC[C@H](C(=O)NCc3ccco3)C2)nn1 95475524 XETUWDIGGXEJMS-LBPRGKRZSA-N 316.361 1.611 0 40 DDAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc(C)nn1CC 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324.446 1.700 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(OC)c1)C2 248163609 YVUBWUPDQWUWFR-CQSZACIVSA-N 318.417 1.878 0 40 DDAB c1ccc(COC[C@H]2CCOC23CN(c2ncccn2)C3)nc1 247845148 MHBZPLQMGGRXCA-CQSZACIVSA-N 312.373 1.684 0 40 DDAB CC(C)(C)CC(=O)N1CCC[C@@H](Cc2cc(C(N)=O)ncn2)C1 257300193 RTGUWBVWFQZFIL-LBPRGKRZSA-N 318.421 1.793 0 40 DDAB Cc1nccn1CC(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257313588 UTHFYCDGEGBKTO-CYBMUJFWSA-N 315.377 1.192 0 40 DDAB O=C(Cc1ccccc1F)N1CCO[C@H](c2cnccn2)C1 257321700 WCUNLJPUOOSYSC-HNNXBMFYSA-N 301.321 1.758 0 40 DDAB O=C1CN([C@H]2Cc3ccccc3[C@@H]2O)CCN1CC(F)(F)F 253417473 BBSBRHHBEGZYPN-JSGCOSHPSA-N 314.307 1.351 0 40 DDAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)c2cnn(C)c2)n1 257203661 ARAPFYLBKDHTCS-OAHLLOKOSA-N 300.366 1.252 0 40 DDAB Cc1nc(-c2ccnn2C)cc([C@H]2CCCN2S(C)(=O)=O)n1 257332228 XWHRNFRLNYNPFE-CQSZACIVSA-N 321.406 1.282 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2cc(C)on2)CCO1 257315206 VAJMOTPGEDQFAB-LLVKDONJSA-N 303.322 1.028 0 40 DDAB Cc1nccc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 257300556 RUSZLESPMKQVDJ-NSHDSACASA-N 307.379 1.076 0 40 DDAB C[C@@H]1COCCN1CCN1CCNC(=O)[C@H]1c1ccccc1F 252549091 QTURYGFRCPZGET-CZUORRHYSA-N 321.396 1.019 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257230262 GBMXHYBMGNGTNM-AWEZNQCLSA-N 317.393 1.211 0 40 DDAB Cn1cc([C@H](O)C(=O)NCCCSc2ccc(F)cc2)cn1 252489611 JUSDNYCDIHCXQM-AWEZNQCLSA-N 323.393 1.891 0 40 DDAB Cn1nccc1-c1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 257342753 ZPZWVZQUWCYLJA-AWEZNQCLSA-N 306.391 1.579 0 40 DDAB O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(F)cc1F 90613225 AAVPUWJWUHOZFD-CYBMUJFWSA-N 324.283 1.736 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1ccc(C)nc1)[C@H]2C 585097545 LMABFDFVFXXTHI-ZDUSSCGKSA-N 314.389 1.992 0 40 DDAB CCN1CC[C@@]2(CCCN(C(=O)Cc3ccccn3)CC2)C1=O 585102524 BLQFGCINWQLDBD-GOSISDBHSA-N 315.417 1.875 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 66771838 SSPORSOMYPQLCD-PWSUYJOCSA-N 319.361 1.178 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)[C@H](C)CO 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CCOC(=O)[C@@H](C)Sc1nnc2[nH]c(=O)c3c(n12)CCCC3 9520566 RLIFZGXUYQBJSD-MRVPVSSYSA-N 322.390 1.340 0 40 DDAB O=C(NCCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 239611927 FFKGCBNJQSABJE-PMPSAXMXSA-N 304.390 1.865 0 40 DDAB c1cnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)cn1 1889078008 GGOOYGOTFLJRPV-UHFFFAOYSA-N 311.393 1.193 0 40 DDAB COC(=O)CSCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 21110981 WFCITPWLLFPFCN-SNVBAGLBSA-N 322.386 1.657 0 40 DDAB O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](O)CN1 20434504 AGHHTEDMEYRPGQ-PWSUYJOCSA-N 303.189 1.375 0 40 DDAB Cc1csc2nc(O)c(C(=O)NCc3ccncc3)c(=O)n12 9716709 JZANERMABLOGTI-UHFFFAOYSA-N 316.342 1.095 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(NC(C)=O)cc1 225633634 FHHHTIDVYWARAS-ZIAGYGMSSA-N 320.345 1.048 0 40 DDAB CCOC(=O)c1c(S[C@@H](C)C(=O)OCC)nc(=O)[nH]c1C 4317560 DXDNRLIKVGHFRR-QMMMGPOBSA-N 314.363 1.299 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)N[C@@H](C)COc1ccc(F)cc1 50154871 LTWZBICWHKAIHP-QWRGUYRKSA-N 311.357 1.417 0 40 DDAB c1cc2c(cc1-c1n[nH]cc1CNC[C@@H]1COCCO1)OCO2 40153269 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1.603 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc2ccccc2o1 48343515 XFOYFTNEPARBKC-CYBMUJFWSA-N 322.386 1.473 0 40 DDAB O=c1cc(CN(Cc2ccsc2)C[C@@H]2CCCO2)[nH]c(=O)[nH]1 48308545 CSIOQCDFNUVAOH-ZDUSSCGKSA-N 321.402 1.306 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(C)=O)c1C 3522073 OUOGPQNTVURGFG-SNVBAGLBSA-N 323.349 1.225 0 40 DDAB Cc1ccc(CN(C)CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 12926677 JHUKCIXSVGSGCB-MRXNPFEDSA-N 324.446 1.120 0 40 DDAB COc1ccc(NC(=O)C(C)C)c(N2CCN(C(C)=O)CC2)n1 71185031 MJRJYBPQYPKEKL-UHFFFAOYSA-N 320.393 1.353 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 62912712 IYRGWAROUUSMEC-CQSZACIVSA-N 311.359 1.027 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccnn1C 13320610 OKGBUUSCLUEUIR-UHFFFAOYSA-N 319.317 1.476 0 40 DDAB CCC(NCc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4325520 CNUHPUCRBCOVNZ-UHFFFAOYSA-N 319.336 1.630 0 40 DDAB C[C@@H]1CCC[C@@H](NCC2(S(C)(=O)=O)CCOCC2)[C@@H]1C 96004761 IZFYMQLSVWBDAP-MGPQQGTHSA-N 303.468 1.995 0 40 DDAB 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O=S(=O)(N[C@H](CCO)C1CCCCC1)c1cncc(F)c1 96483496 INUCRSJYZGELAB-CQSZACIVSA-N 316.398 1.830 0 40 DDAB COc1ncnc2c1CN([C@@H](C)C(=O)Nc1cc(C)on1)CC2 97202341 SCDFRJJSONSISY-JTQLQIEISA-N 317.349 1.167 0 40 DDAB CO[C@H](CNS(=O)(=O)c1cncc(F)c1)c1ccccc1 96428740 OWCMZSWNGMIUFW-CQSZACIVSA-N 310.350 1.887 0 40 DDAB c1cc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)cs1 96056248 HTLNRBVEWGYVII-YESZJQIVSA-N 322.474 1.917 0 40 DDAB CC[C@@](C)(CC(=O)OC)NCc1cc(=O)n2ccccc2n1 96461842 ODIRBBNTIQUXAE-INIZCTEOSA-N 303.362 1.516 0 40 DDAB O=C(c1cccnc1)N1CCn2c(Cn3cccn3)cnc2C1 96087572 AVUMLQGDTXUZMT-UHFFFAOYSA-N 308.345 1.179 0 40 DDAB O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1cncnc1 96245208 FULOYGBNZNJECY-BBRMVZONSA-N 312.348 1.711 0 40 DDAB Cc1csc(CN2C[C@@H]3C[C@H](CC(=O)N4CCC4)O[C@@H]3C2)n1 96220719 IKYUFKKFTKUNIA-BFHYXJOUSA-N 321.446 1.663 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2cscn2)C3)n1 97953337 PFVIBDKDWMQDID-BXUZGUMPSA-N 320.374 1.407 0 40 DDAB Cc1ccccc1-n1nccc1NC(=O)C(=O)Nc1cnn(C)c1 95445618 ZZUBANUCALHATL-UHFFFAOYSA-N 324.344 1.491 0 40 DDAB O=C(c1ccccc1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 96246514 INMXODFZUCUDHL-MSOLQXFVSA-N 323.396 1.807 0 40 DDAB Cc1cccc(OC[C@H](C)NC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1 249589834 OXARQPHLBCAVOO-YDHLFZDLSA-N 319.405 1.586 0 40 DDAB c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCCN3c2ncccn2)nc1 247826210 FWMOMVLOENRPJZ-MJBXVCDLSA-N 313.361 1.329 0 40 DDAB Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257217938 DBETVRMNOIHNQL-FRRDWIJNSA-N 313.361 1.736 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)CCc2ccc(F)cc2)CCO1 257223587 DYABDQNEFHESOO-INIZCTEOSA-N 308.353 1.122 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257252979 JXBJNMYNQDGCAN-AWEZNQCLSA-N 313.361 1.211 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257223152 DWCUXHMVMCPYBN-IIAWOOMASA-N 316.357 1.992 0 40 DDAB Cc1oncc1CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 252586221 OHDRXSWFWXUYPP-KBPBESRZSA-N 314.407 1.151 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCOC[C@H]1c1ccn[nH]1 257338849 YZEFXHPJIGOUHX-LBPRGKRZSA-N 302.334 1.490 0 40 DDAB CC(C)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 253407362 WBOLDGONTWSASC-MOPGFXCFSA-N 317.477 1.648 0 40 DDAB biogenic,in-vitro CCOc1ccc([C@@H](C(=O)OC(C)(C)C)[C@H](N)C(=O)O)cc1 87493271 VZHGMEHEZUADHR-OLZOCXBDSA-N 309.362 1.923 0 40 DDAB O=C1NCCN1C(=O)NCC1(c2ccccc2)CCOCC1 96120223 RDOHZXKYVHCYIG-UHFFFAOYSA-N 303.362 1.470 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2cnn([C@H]3CCOC3)c2)cc1 96123021 AWRYIXNUWJQJRJ-AWEZNQCLSA-N 315.329 1.883 0 40 DDAB COc1ccc([C@H](C)C(=O)Nc2ncn(CC(=O)O)n2)cc1 647781056 ZOKPVJUNYCTXEG-VIFPVBQESA-N 304.306 1.114 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)CC3CC3)CO2)C1 575406945 YUKPYSFCXUPWAE-SNPRPXQTSA-N 320.433 1.566 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)C3CC(F)C3)CCO2)C1 585101538 SYTKZZHCADLFTA-ZBCRRDGASA-N 314.401 1.073 0 40 DDAB c1cc2n(n1)CC[C@@H](CN1CCCCC1)N(Cc1cn[nH]c1)C2 585098128 UMQJOKKKUVYYDC-INIZCTEOSA-N 314.437 1.867 0 40 DDAB Cc1nn(C[C@H](C)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(=O)o1 585141263 SHEJGUPHQQLMJK-XEZPLFJOSA-N 318.421 1.814 0 40 DDAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CC(=O)N(C2CC2)C1 29540976 VKMYYCOGISJYSL-BXUZGUMPSA-N 300.358 1.637 0 40 DDAB NS(=O)(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 65454368 ADGZFQLOQQBFOL-UHFFFAOYSA-N 312.391 1.063 0 40 DDAB COc1ccnc(N2CCC[C@@H]2C(=O)N2CCSCC2)n1 66818236 SPZBKYXCWRSGKC-LLVKDONJSA-N 308.407 1.029 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)no1 72231835 ZZLLSYWNUXAQHF-QWHCGFSZSA-N 320.393 1.341 0 40 DDAB N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 169676902 OZYCLHNIDOOQBJ-MRXNPFEDSA-N 310.401 1.300 0 40 DDAB COc1ccc(CC2CCN(CCC(=O)NC(N)=O)CC2)cc1 58179800 RAKKLVPPYGWRMT-UHFFFAOYSA-N 319.405 1.535 0 40 DDAB Cc1noc(C2CCN(C(=O)CCc3cnn(C)c3)CC2)n1 53455071 IQCKLVYWILERKP-UHFFFAOYSA-N 303.366 1.450 0 40 DDAB CC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963733 AXYAVEXKRAAXNN-ZDUSSCGKSA-N 314.345 1.569 0 40 DDAB biogenic,in-vitro CCc1cnc(OC2CCN([C@@H]3CCCNC3=O)CC2)nc1 1776009749 ZURDZLHRFYCBGC-CQSZACIVSA-N 304.394 1.161 0 40 DDAB C[C@@H](CNC(=O)Cc1cccc(F)c1)CN1CCN(C)CC1 75122180 UOSGTYUGLPFYJE-AWEZNQCLSA-N 307.413 1.368 0 40 DDAB Cc1cc([C@H](O)CCNS(=O)(=O)c2cn(C)cn2)c(C)o1 96026066 NOHJUEKNCGHSKD-GFCCVEGCSA-N 313.379 1.032 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(C[C@@H]2CCOC2)C1 84304135 TZRVIIVYPYUUDY-DZGCQCFKSA-N 319.453 1.235 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 95947197 YUIYLHIWZINYAB-ZETCQYMHSA-N 302.124 1.979 0 40 DDAB COCCN[C@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5743240 NFCUFXFYLINNSD-OAHLLOKOSA-N 316.357 1.858 0 40 DDAB Cc1cccc2c(O)c(NC(=O)N3CCn4cnnc4C3)cnc12 12144691 HIXBBUBJUUFDLG-UHFFFAOYSA-N 324.344 1.888 0 40 DDAB O=S(=O)(CCC(F)(F)F)N1CCn2nc3c(c2C1)CCC3 253472177 JYAQEORPTKYLNL-UHFFFAOYSA-N 323.340 1.470 0 40 DDAB CCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6093782 NZRPXVWOWMDXOB-QMMMGPOBSA-N 320.374 1.092 0 40 DDAB NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 14806148 CDLPQZZTVKPECB-ZDUSSCGKSA-N 324.789 1.845 0 40 DDAB O=C(N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21)C1(F)CC1 1565548489 DXALXPSISUHNFU-ILXRZTDVSA-N 320.364 1.859 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)c3csc(C)n3)CC[C@H]2C1 1565551692 UZWRJHDKKCGMHY-JSGCOSHPSA-N 309.435 1.634 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1cccc(O)c1 34910 QWZJURFESDMXEE-AWEZNQCLSA-N 320.345 1.288 0 40 DDAB CC(C)OCCCN[C@@H](CC(=O)Nc1ccccc1O)C(=O)O 5258546 UOUHHTBBBUBIAW-ZDUSSCGKSA-N 324.377 1.579 0 40 DDAB CN1CCCc2cc(CCNC(=O)C(=O)NC(C)(C)C)ccc21 13006848 YWSKOVJLFGEJNV-UHFFFAOYSA-N 317.433 1.642 0 40 DDAB CCc1ccc(C(=O)N2CC3(C2)CN(C)c2nccnc23)cn1 2055795746 PQMOULKLJQCSAA-UHFFFAOYSA-N 309.373 1.278 0 40 DDAB O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccccc1 23180328 KGQXOOPZYWDYJT-QGZVFWFLSA-N 311.385 1.885 0 40 DDAB COc1ncccc1C(=O)NCc1cn(-c2cccs2)nn1 575616426 LALZFSJSDCULKQ-UHFFFAOYSA-N 315.358 1.662 0 40 DDAB CCOC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 4328144 BWQHFWJAPDZFFG-UHFFFAOYSA-N 315.358 1.842 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(O)c1 65611 MPXULMKXNYLWDE-GFCCVEGCSA-N 301.306 1.231 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100621783 JBRQLWVBBWJLQN-RVMXOQNASA-N 323.732 1.941 0 40 DDAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccnn1C 20607946 QWVXLSNOGDZRKO-SNVBAGLBSA-N 320.378 1.195 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1CCCC1 101572368 OOPTYGZHJCMOTP-AJNGGQMLSA-N 316.401 1.490 0 40 DDAB COc1ccccc1-n1nnnc1SCC(=O)NC(C)(C)C 360013 JKXRZNKYKGNFCE-UHFFFAOYSA-N 321.406 1.678 0 40 DDAB COc1ccc(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)cc1 32764965 WEBUZXNBUFRVFG-UHFFFAOYSA-N 312.369 1.995 0 40 DDAB CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 32925039 OVBOKQCOXACLEI-CYBMUJFWSA-N 314.451 1.663 0 40 DDAB CCCn1nc(C(=O)NC2(C(=O)O)CCCCC2)ccc1=O 69926158 FNIANWKOWCYCRW-UHFFFAOYSA-N 307.350 1.171 0 40 DDAB COc1ccc(NC(=O)c2ccoc2)cc1NS(C)(=O)=O 29817822 JCUTZVGXGQJKTR-UHFFFAOYSA-N 310.331 1.912 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)c(C)c1 202852 GEZRLQMCDUFHNR-ZFWWWQNUSA-N 320.389 1.854 0 40 DDAB O=C1CCCN1CCCn1cnc2c([nH]c3ccccc32)c1=O 490419 SETDITVZGAXABP-UHFFFAOYSA-N 310.357 1.890 0 40 DDAB biogenic C[C@H](NC(N)=O)C(=O)NCc1ccnc(OC2CCCC2)c1 46581078 SAOJDRQBFVMJSL-JTQLQIEISA-N 306.366 1.076 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCc4ccccc43)CCO2)n1 76044728 RGHXHIGZAJRDNX-HUUCEWRRSA-N 312.373 1.743 0 40 DDAB Cc1noc(CCCNC(=O)NCc2sc(C)nc2C)n1 78941105 RAXKSWDGOZOEOS-UHFFFAOYSA-N 309.395 1.883 0 40 DDAB CCc1ccc(O)c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 94015245 HYCDHAIVFCSCJK-AWEZNQCLSA-N 302.374 1.838 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cnnn2)c1 52954786 AXZQTOIRZBSAGI-ZDUSSCGKSA-N 317.349 1.054 0 40 DDAB CN(C)c1ccc(C(=O)NCCCCN2CCOCC2)cc1 41567750 LHLLAVMNUBKAEA-UHFFFAOYSA-N 305.422 1.595 0 40 DDAB Nc1ccccc1C(=O)NCCCNC(=O)c1ccccc1N 4307049 CDGVJBQIIDMDGM-UHFFFAOYSA-N 312.373 1.401 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 7304267 SRKLTGHVUADSSL-ZDUSSCGKSA-N 317.432 1.159 0 40 DDAB CCc1nnnn1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 71839292 WOSLVIGWNBMZIY-AWEZNQCLSA-N 315.377 1.608 0 40 DDAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc3c(c2)OCO3)C1=O 8753937 ONAVZYBKFHAXGL-UHFFFAOYSA-N 319.317 1.074 0 40 DDAB Cc1nc2c(Nc3ccc4c(c3)OCCO4)nc(N)nc2n1C 57279218 WMKDTGNGLVEESE-UHFFFAOYSA-N 312.333 1.769 0 40 DDAB C[C@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)[C@@H]1CCCO1 23196549 QKEGNJXWLQTWRB-HZMBPMFUSA-N 319.336 1.219 0 40 DDAB OCCN1CCC(CNCc2nccn2CC(F)(F)F)CC1 71870957 JRDKEVOHFKVCRB-UHFFFAOYSA-N 320.359 1.239 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)C(=O)NCc1ccccn1 9858265 JPHZTSZGFSMGAA-UHFFFAOYSA-N 322.368 1.538 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)NCCO)c1ccc(Cl)cc1 42874961 PNULWZZJGVFHHV-LBPRGKRZSA-N 308.769 1.454 0 40 DDAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1 24600355 MSMLGTGAIRHGAJ-UHFFFAOYSA-N 319.386 1.893 0 40 DDAB Cc1ccccc1C1(CNC(=O)N2CCNC(=O)[C@@H]2C)CC1 106556863 GYVPPYQWIKOIPW-ZDUSSCGKSA-N 301.390 1.557 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 100885708 OIMVXRBBDDKOPR-ZAZJYDDPSA-N 305.355 1.203 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 107058041 QJGAMQOSDZAFTO-WQVCFCJDSA-N 320.437 1.240 0 40 DDAB C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)C[C@H](C)O1 25412084 STHWLXAACJVCKD-GJZGRUSLSA-N 302.418 1.944 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3nc(C)c(C)o3)C[C@@H]2C)CC1 107141825 VOTXREIQNFYWLV-LRDDRELGSA-N 320.437 1.276 0 40 DDAB NC(=O)C1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 43635604 VVYOQMMLNHZPAH-UHFFFAOYSA-N 322.312 1.891 0 40 DDAB CC1=NN(c2ccc(C(=O)NCCS(C)(=O)=O)cc2)CC1 56880648 VFIYVXVOBVWPCQ-UHFFFAOYSA-N 309.391 1.047 0 40 DDAB OCCCSc1nnc(N2CCOCC2)n1-c1ccccc1 26226560 KNZJSFHXQJKYSC-UHFFFAOYSA-N 320.418 1.578 0 40 DDAB C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 26846437 YXYXQQCVXKTXAI-NSHDSACASA-N 313.375 1.257 0 40 DDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c1 100179204 FJVQRFUUMWYCNY-XDQVBPFNSA-N 313.309 1.306 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N[C@H]2CCCC[C@H]2C)C1=O 9614206 RQCOQNYFEFUJND-AGIUHOORSA-N 309.410 1.648 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)s1 8883533 KPKSNLGDEKPBHP-UHFFFAOYSA-N 316.448 1.545 0 40 DDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2[nH]nnc2c1 44896845 LHKCUDHPKBLCPE-OAHLLOKOSA-N 321.384 1.962 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 27603423 KDVNDILZJKVFLK-QMMMGPOBSA-N 303.284 1.421 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)[C@@H](C)S(C)(=O)=O 44953728 LDLCGELGOMPIJK-MRVPVSSYSA-N 305.783 1.398 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)NC[C@@H]1CCCO1 44945531 XSXJPYRJGRRRFU-AWEZNQCLSA-N 304.394 1.660 0 40 DDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(F)cc2)CC1 58380749 JQQOUSJPCHZCFQ-OAHLLOKOSA-N 319.380 1.380 0 40 DDAB CC(=O)NCCNC(=O)c1cc2c(C)nn(CC(C)C)c2s1 58381048 XTYJONCSWGEHSB-UHFFFAOYSA-N 322.434 1.928 0 40 DDAB COCCN1CC[C@@H](CNC(=O)C2(c3ccc(F)cc3)CC2)C1 58427460 HZSNWILKHQWCRC-AWEZNQCLSA-N 320.408 1.942 0 40 DDAB O=C(O)[C@@H](Cc1c[nH]cn1)NC(=S)NCc1ccccc1 2290695 VVJPSFQYFNALGR-GFCCVEGCSA-N 304.375 1.070 0 40 DDAB C[C@H]1CCc2ccccc2N1C(=O)COC(=O)Cn1cccn1 11654640 ROUSFEUNYDOCGW-ZDUSSCGKSA-N 313.357 1.794 0 40 DDAB O=C(CN1CCN(c2cnccn2)CC1)Nc1ccc(F)cc1 12853188 GRSQMJNKJROEJM-UHFFFAOYSA-N 315.352 1.376 0 40 DDAB C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C[C@@H](C)O1 29505061 RSZAIPMZWVZADS-AOOOYVTPSA-N 304.346 1.143 0 40 DDAB Cc1cc(C)cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 3448436 ATLKAOPQADKKCZ-UHFFFAOYSA-N 318.398 1.881 0 40 DDAB CCCCc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 3491007 LRRDFWADIXMTBM-UHFFFAOYSA-N 303.362 1.862 0 40 DDAB O=C(CCSc1ccccc1F)N[C@H]1CCS(=O)(=O)C1 48421016 XSPFLWQUNCNIKM-JTQLQIEISA-N 317.407 1.611 0 40 DDAB O=S(=O)(CC1CCC1)N1CCC[C@H](c2nnc3n2CCC3)C1 92864356 SAWFFGADVFFXED-ZDUSSCGKSA-N 324.450 1.534 0 40 DDAB C[C@H]1CN(C(=O)CN(C2CC2)C2Cc3ccccc3C2)CCO1 65487750 LHEMACLKPRAZFO-AWEZNQCLSA-N 314.429 1.866 0 40 DDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)O[C@@H]1CCOC1=O 4546681 CKFGGRXLEIYZEQ-KOLCDFICSA-N 307.327 1.348 0 40 DDAB O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2COC3)CN1c1ccc(F)cc1 75166525 YMZSNMIZDCJLHY-DFBGVHRSSA-N 318.348 1.568 0 40 DDAB Cc1cc(C)c(CNC(=O)Cn2nnc3ccccc32)c(=O)[nH]1 14317721 AIVHYMGCPZHXOX-UHFFFAOYSA-N 311.345 1.053 0 40 DDAB Cc1cc(NC(=O)CNc2cc(-n3cnnn3)ccc2F)no1 66469577 PSDFOMWUUIUROC-UHFFFAOYSA-N 317.284 1.148 0 40 DDAB C[C@H]1CCCCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 5864182 HBYDGYKBIHPSIP-NSHDSACASA-N 311.407 1.147 0 40 DDAB CCc1nc(C(=O)NCCc2cccc(C(=O)NC)c2)co1 96011231 PWDRNMZDMCTRBF-UHFFFAOYSA-N 301.346 1.569 0 40 DDAB C[C@H](Sc1ncnc2sccc12)C(=O)N1CCNC1=O 7363480 BWMGGMYAMYEGKM-ZETCQYMHSA-N 308.388 1.724 0 40 DDAB Cc1nc(CNC[C@@H](O)COc2ccc3c(c2)OCO3)cs1 67975951 GOWFEKAFHREPMH-GFCCVEGCSA-N 322.386 1.710 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)C 7723438 KDDSUMCXMOYTPH-UHFFFAOYSA-N 300.380 1.540 0 40 DDAB Cc1csc(N2CCN(C(=O)CCn3cccn3)CC2)n1 71820872 HKDKVRMWOBFPBY-UHFFFAOYSA-N 305.407 1.387 0 40 DDAB COC(=O)CCCCNC(=O)NC[C@@H](C)CN1CCCCC1 69244832 XDXPMCCBOVVMCF-CQSZACIVSA-N 313.442 1.751 0 40 DDAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1nnc2ccccn12 8343422 UKYRRTNNBOBMKY-ZDUSSCGKSA-N 322.324 1.647 0 40 DDAB CCOCC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 69619510 JQCJDHWFRVBNIO-LLVKDONJSA-N 315.167 1.128 0 40 DDAB CCN(C(=O)[C@H](C)NC[C@H]1CN(C)CCO1)C1CCCCC1 69652678 QIPQFBBPQLGEON-HOCLYGCPSA-N 311.470 1.476 0 40 DDAB CN(C)c1ccc(CCNC(=O)N2CCC[C@@H](CO)C2)cc1 69662005 SIQVYPMLUPNMIQ-OAHLLOKOSA-N 305.422 1.709 0 40 DDAB O=C(NCCn1ccnc1)[C@H]1CSCN1C(=O)C1CCCC1 69744591 JNUSMHVOQNDNAT-CYBMUJFWSA-N 322.434 1.091 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1ccn(-c3ccccc3)n1)CC2 69969165 CGMMFOHYKHXLNK-HNNXBMFYSA-N 308.389 1.877 0 40 DDAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cnccn1 96998979 RKVYUETXBUCUMS-MFTITKQISA-N 322.368 1.884 0 40 DDAB Cc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)NCCO 84186108 PYHOQVBOANRGBG-UHFFFAOYSA-N 319.283 1.244 0 40 DDAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](n2cncn2)C1 72293513 CROAOMRLUYFBCB-UKRRQHHQSA-N 316.336 1.584 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1cnn(C)c1 72298356 LNFHIGQRCFJXDI-GOEBONIOSA-N 303.410 1.638 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3nccnc3N)C2)no1 72232633 KEBPGIXIVCCQEE-SNVBAGLBSA-N 316.365 1.585 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72282071 KIKMKPKZVNZUTG-ZDUSSCGKSA-N 302.382 1.414 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)n3cccn3)C2)n1 72235425 XRQQETLCZUDJGG-FZMZJTMJSA-N 302.382 1.516 0 40 DDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCNC(=O)C1CC1 72278821 HSAVXIWGAYPYDI-LBPRGKRZSA-N 323.437 1.104 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C12CCC2 72295813 SNLYCJXFJIJRJF-MRVWCRGKSA-N 320.389 1.862 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)c1ccc(-n2ccnc2)cc1 97107116 JHJQFNORZCMUDL-AWEZNQCLSA-N 315.373 1.750 0 40 DDAB CCS(=O)(=O)NCC(=O)N(C1CC1)C1Cc2ccccc2C1 95442817 ZHEPYSQTDWCNMY-UHFFFAOYSA-N 322.430 1.084 0 40 DDAB CCC(C)(C)OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 95411884 IPPGEGDEUWVRNY-CYBMUJFWSA-N 303.362 1.838 0 40 DDAB COC(=O)CCN1CCN(c2noc(C(C)(C)C)n2)[C@@H](C)C1 95939891 PPAIHXNZHUWZEU-NSHDSACASA-N 310.398 1.441 0 40 DDAB CC1(C)CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)C1 95997713 IDDYMLJYRBQMIE-QWHCGFSZSA-N 320.414 1.949 0 40 DDAB CN(c1ncccc1F)S(=O)(=O)c1c[nH]c2ncccc12 89364950 GSCWNFYFAMIVTH-UHFFFAOYSA-N 306.322 1.922 0 40 DDAB CC(=O)c1ccc(OCCCC(=O)N2CCC[C@H]2C(N)=O)cc1 89331094 BLDOFYLQDQETHU-HNNXBMFYSA-N 318.373 1.525 0 40 DDAB CN(C)c1nc(Cn2c(=O)[nH]c3ccccc3c2=O)cs1 89326853 QEAFBOBEDNHPOQ-UHFFFAOYSA-N 302.359 1.261 0 40 DDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(Cc2nccn2C)C1 89300550 TZCZZRHBYRQJJP-AWEZNQCLSA-N 317.441 1.046 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)C(=O)Nc1cc(C)no1 89948669 HNZNHRZINPGVEG-YUTCNCBUSA-N 322.409 1.547 0 40 DDAB O=C(O)[C@@H](CNS(=O)(=O)C1CC1)Cc1ccc(Cl)cc1 548201448 QHFBHAPBHSPAQD-SNVBAGLBSA-N 317.794 1.665 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(O)c1 409204629 BYDNNKTUCXZCKY-CHPZLBCBSA-N 314.341 1.362 0 40 DDAB O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Cl 409335136 NWLHCBNOTUGXPA-FJJYHAOUSA-N 305.717 1.145 0 40 DDAB Cc1cnc(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)c(C)c1 1553506470 OIRBOKHVESQLQU-OAHLLOKOSA-N 302.422 1.764 0 40 DDAB CC[C@@](C)(NCCN1C(=O)NC(C)(C)C1=O)c1nccs1 72682880 DMRXFMNIPDWPPX-CQSZACIVSA-N 310.423 1.688 0 40 DDAB Cc1oncc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 225663672 KPOFEZOPLQLONB-UHFFFAOYSA-N 309.329 1.939 0 40 DDAB O=c1ccccn1C[C@H](NS(=O)(=O)C1CC1)c1ccccc1 225716314 XAJAFXPOORHZBA-HNNXBMFYSA-N 318.398 1.671 0 40 DDAB Cc1nc(C)c(-c2nnc(NC(=O)c3cnccn3)o2)s1 49449724 HTPKVHBNOYBRCV-UHFFFAOYSA-N 302.319 1.852 0 40 DDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Cc2ccccc2)[C@H]1O 514288650 JUICWDCQZHARKR-XYJFISCASA-N 320.433 1.206 0 40 DDAB biogenic,in-vitro CC(C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 46089306 AFGFSHIQXAEZLP-UHFFFAOYSA-N 312.391 1.730 0 40 DDAB COc1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 45954168 IULJLUQOIOCNQF-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CN(CC1(CO)CC1)C(=O)N[C@@H]1CCN(c2ccccc2)C1 225471752 LPSNTXJSANZHAT-CQSZACIVSA-N 303.406 1.679 0 40 DDAB O=C(N1CCCC1)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96073907 ALABZIVCALRDNJ-GOEBONIOSA-N 304.394 1.895 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 96219013 JUBBFSAEELTZFB-YOEHRIQHSA-N 312.373 1.895 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3ccco3)[C@@H]2C1 96056696 LUUJWHIONTVSOS-NUEKZKHPSA-N 304.390 1.785 0 40 DDAB Cc1nnc(N2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)o1 96049186 NTZLKKKXDFFXJH-MRXNPFEDSA-N 318.377 1.842 0 40 DDAB O=C(NC[C@H](O)C1CCOCC1)[C@H]1C[C@@]12CCc1ccccc12 96436986 ZAXNLPDQHFTIDI-ZIFCJYIRSA-N 315.413 1.794 0 40 DDAB O=C(NC1CCC1)[C@H]1COC2(CCN(c3ncccn3)CC2)C1 96224901 LTFKALFGUBYQKB-CYBMUJFWSA-N 316.405 1.521 0 40 DDAB CC(=O)N1Cc2cncn2C[C@H](COCC2CCOCC2)C1 96218147 NDTDWVYFIJKLME-OAHLLOKOSA-N 307.394 1.305 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc2c([nH]c1=O)CCCC2 96449521 GJLITDXXGUWWRH-IRXDYDNUSA-N 324.380 1.642 0 40 DDAB CCOC(=O)c1nn(CC(F)(F)F)c(N)c1Br 95094699 ASWSOFAKRVWYJW-UHFFFAOYSA-N 316.077 1.967 0 40 DDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@@H]21 247859888 MHCKZNFMOWLRLB-HRCADAONSA-N 312.373 1.598 0 40 DDAB CC(C)C(=O)N[C@@H]1CCCN([C@H]2Cc3ccccc3[C@@H]2O)C1 245338647 NNIHMVMLMDBNMA-PVAVHDDUSA-N 302.418 1.881 0 40 DDAB O=C(c1cnn2cccnc12)N1CCO[C@@H](c2ccncc2)C1 257308927 TYTQYWOTEQCXJN-CQSZACIVSA-N 309.329 1.338 0 40 DDAB CCc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257305624 SQUZEEIPJCGHFX-UMVBOHGHSA-N 318.377 1.545 0 40 DDAB COCc1ccc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)cc1 257263533 LQJXOQQTAAENPQ-RDJZCZTQSA-N 305.374 1.853 0 40 DDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1Cc1ccccc1 250638357 BHUIKMWTNASXJE-HOTGVXAUSA-N 316.401 1.551 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cscn2)n1 257338545 YXWZJBVUQOVFCP-LLVKDONJSA-N 319.390 1.497 0 40 DDAB CCCC[C@H](NC(=O)COc1ccc2c(c1)C(=O)CC2)C(=O)O 256027791 BZJFUKJSBNJPHJ-AWEZNQCLSA-N 319.357 1.954 0 40 DDAB Cc1nc(N)cc([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257263595 LQRQKSKRSUZQQN-CQSZACIVSA-N 314.393 1.397 0 40 DDAB Cc1ccc2[nH]c([C@@H]3CCCN3CCC(=O)NC(N)=O)nc2c1 298534490 MOHUEQXADNVURQ-ZDUSSCGKSA-N 315.377 1.593 0 40 DDAB O[C@]1(COc2cccc(F)c2)CCN(Cc2cnccn2)C1 585269413 SPLGRGILXXGEOH-MRXNPFEDSA-N 303.337 1.632 0 40 DDAB Cc1cc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)cc(C)n1 585093377 SMHCWGIJJNVVME-HNNXBMFYSA-N 323.343 1.686 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cccn1 71833021 TTXIKZFPWVRHLO-GFCCVEGCSA-N 319.796 1.841 0 40 DDAB O=S(=O)(c1cccs1)N1CCN(Cc2ccccn2)CC1 35286930 VGPUGPCXYZOUGL-UHFFFAOYSA-N 323.443 1.650 0 40 DDAB O=C(NCCNc1ncccn1)N(C[C@H]1CCOC1)C1CC1 47057687 FQWGHCSJNZQRFO-GFCCVEGCSA-N 305.382 1.099 0 40 DDAB C[C@@H]1C[C@H]1CNC(=O)NCc1ccnc(N2CCOCC2)c1 48869694 DOLLWHJOEPOLRO-OCCSQVGLSA-N 304.394 1.373 0 40 DDAB C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)N1CCCCC1 105579313 FSSWDWBHRRFVKD-UONOGXRCSA-N 303.472 1.570 0 40 DDAB COc1cccc(NC(=O)NC[C@@H]2[C@@H](C)C[C@H]3NC(=O)C[C@H]32)c1 1775964364 JWARNWBRHPHVLA-BSLXNSKLSA-N 317.389 1.977 0 40 DDAB biogenic,in-vitro COC[C@@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CCO1 73914498 QJBPQDRYMCWZFQ-AWEZNQCLSA-N 303.362 1.725 0 40 DDAB CCN1CCO[C@@H](CNCc2c[nH]nc2-c2ccc(C)o2)C1 75133627 XMEKNQZXLYMFIZ-AWEZNQCLSA-N 304.394 1.788 0 40 DDAB O=C1N=C(O)C[C@@H]1N(C(=O)c1ccc(Cl)cc1O)C1CC1 94072723 UDVJBDCKWOFWLC-JTQLQIEISA-N 308.721 1.906 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)CCO1 91292432 KUNBISGYIKXMCB-SECBINFHSA-N 301.701 1.795 0 40 DDAB O=C(Cn1nnc2ccccc21)N[C@@H]1CCN(c2ccccn2)C1 178954004 SIPKQYWJAQYQIV-CYBMUJFWSA-N 322.372 1.221 0 40 DDAB CN1CCO[C@H](C(=O)Nc2ncccc2Br)C1 96461233 AYTUVMXZRGEOSL-VIFPVBQESA-N 300.156 1.113 0 40 DDAB CSc1ncc(Br)c(N2CCC[C@H]2C(N)=O)n1 1889059900 FBMPDHLHQGNBSO-ZETCQYMHSA-N 317.212 1.415 0 40 DDAB CC(C)NC(=O)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 14001213 YERIBXMQDIIPTO-UHFFFAOYSA-N 316.336 1.932 0 40 DDAB CCOc1ccc(S(=O)(=O)NCc2ccnn2CC)cc1 14239238 VRFPOMDMXMYGIN-UHFFFAOYSA-N 309.391 1.780 0 40 DDAB CCOC(=O)CN(c1ccccc1)c1nc(=[N+](C)C)ss1 16952995 HWQNQYAPFATXMX-UHFFFAOYSA-N 324.451 1.938 0 40 DDAB O=C(Cn1cncn1)N[C@@H](Cc1ccsc1)c1ccccn1 19400977 ZAHSKKWABQONDG-AWEZNQCLSA-N 313.386 1.835 0 40 DDAB O=C(CNC[C@H]1CCCO1)N1CCC[C@H](N2CCCCC2)C1 167774072 FOVNEYBQTHCBNV-JKSUJKDBSA-N 309.454 1.232 0 40 DDAB CCCS(=O)(=O)Nc1cccc(CN2CCN(C)CC2)c1 153933825 SEHOVQMVZPCZRW-UHFFFAOYSA-N 311.451 1.586 0 40 DDAB Cc1nnc(CN2CCOC[C@H]2CC(=O)c2cccs2)o1 154417699 ZKGKIIGAWMZSRN-LLVKDONJSA-N 307.375 1.913 0 40 DDAB COCCNc1ncnc2c1nnn2Cc1ccccc1Cl 35314935 XJVOBBQMARFRGV-UHFFFAOYSA-N 318.768 1.981 0 40 DDAB COCCNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373180 FXDCUDVAEJUPCA-ZDUSSCGKSA-N 305.378 1.354 0 40 DDAB Cc1ccn(CCNC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)n1 12199015 ZVHAGFDNWNHHQV-QGZVFWFLSA-N 312.373 1.891 0 40 DDAB CC(C)(CNC(=O)N[C@@H]1CCc2nc[nH]c2C1)CN1CCCC1 555176531 BPNQOBQMTWUBRD-CYBMUJFWSA-N 319.453 1.688 0 40 DDAB O=S(=O)(NC[C@H](c1ccco1)N1CCSCC1)C1CC1 245180750 ZJGCOJZQKMHUPM-GFCCVEGCSA-N 316.448 1.451 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)Oc1ccc2c(c1)OCO2 5577194 UDNVZBCSEQTNAZ-UHFFFAOYSA-N 313.265 1.929 0 40 DDAB c1nc2c(c(N3CCN(c4ccc5nccn5n4)CC3)n1)CCC2 1889139515 NBLHPORRVXCPCK-UHFFFAOYSA-N 321.388 1.335 0 40 DDAB Cc1cc2ncc(C(=O)N3CCC4(CC3)OCCO4)c(C)n2n1 24998093 WHCWODRJOUXRGF-UHFFFAOYSA-N 316.361 1.325 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)Nc1sccc1C(N)=O 4517786 IKRVWWJJSCNJDE-UHFFFAOYSA-N 324.383 1.503 0 40 DDAB COc1ncc(NS(=O)(=O)Cc2cccc(C)c2)c(OC)n1 585436929 PGEPOBGMIKLVGO-UHFFFAOYSA-N 323.374 1.744 0 40 DDAB c1cnc(OC[C@@H]2CCCN(c3ccc4nncn4n3)C2)cn1 2298215307 LXLFWBBQKKMGNP-GFCCVEGCSA-N 311.349 1.210 0 40 DDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCCCCC1 11635240 BNWWXAFNUAMCMX-UHFFFAOYSA-N 309.391 1.729 0 40 DDAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 40498641 UITIPDCYHSMATD-VXGBXAGGSA-N 311.403 1.649 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 100819534 WYHMLJNHFVVVQG-DJBIQUGXSA-N 301.273 1.109 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2ccnc2)nc1 40554844 DJFKFKXAJCWYNR-CYBMUJFWSA-N 315.377 1.158 0 40 DDAB Cn1cc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2)cn1 40528095 RUPAONPBVIJULD-AWEZNQCLSA-N 305.403 1.816 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1Cc2ccccc2O1 40510775 GVFZYXZFXHGDKF-MRXNPFEDSA-N 320.352 1.887 0 40 DDAB O=c1[nH]c2c(c(=O)n1CCO)C1(CCCC1)Cc1ccccc1-2 20737638 CMVCMMZGLCIIRF-UHFFFAOYSA-N 312.369 1.564 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1C(=O)N[C@]2(C)C[C@H]1c1ccccc1O2 307138 GDQYQXBBTHPLFM-PPHDSNJXSA-N 302.374 1.930 0 40 DDAB Cc1ccccc1OCC(=O)Nn1nnnc1Nc1ccccc1 27937 ZWTLTOWNIRVIPG-UHFFFAOYSA-N 324.344 1.874 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 2686384 JFJYXHOZEQWVSQ-RMKNXTFCSA-N 306.343 1.840 0 40 DDAB COc1cc(NC(=O)c2ccco2)ccc1NS(C)(=O)=O 29967850 XJXHURZQTDWZIG-UHFFFAOYSA-N 310.331 1.912 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76053471 QVSGITREAWUMEE-JSGCOSHPSA-N 321.421 1.899 0 40 DDAB Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CC(=O)N(C)C2)o1 76067368 ZIPBJQGROQCKPM-NWDGAFQWSA-N 308.403 1.683 0 40 DDAB CCOP(=O)(CSCC[C@]1(C)NC(=O)NC1=O)OCC 1608041 XZQCSDHOJYRUSJ-NSHDSACASA-N 324.339 1.931 0 40 DDAB C[C@@H]1C[C@H](N2CCCN(C(=O)Oc3ccccc3)CC2)C(=O)O1 72074135 HBTVJSMNZJCYLJ-HIFRSBDPSA-N 318.373 1.897 0 40 DDAB Nc1c(C(=O)O)nnn1-c1ccc(NC(=O)c2ccco2)cc1 33435968 DQSWNXXFXNJOLU-UHFFFAOYSA-N 313.273 1.393 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ccccc2)C1 46951071 FCMMDVKCLXYGBO-GDBMZVCRSA-N 317.433 1.886 0 40 DDAB O=C(NC1CCCC1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986850 UQOHOVNIKXYTOE-HUUCEWRRSA-N 317.389 1.713 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1cccnc1N1CCCC1 47255180 XYCQKXXGGYNLQN-UHFFFAOYSA-N 316.361 1.159 0 40 DDAB Cc1noc(C2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1 54347303 OACROCHFMADQBJ-GFCCVEGCSA-N 306.410 1.958 0 40 DDAB CC(C)(CNC(=O)[C@H]1CCc2cn[nH]c2C1)N1CCCCC1 72302697 XJFHYOPZCMCVMB-ZDUSSCGKSA-N 304.438 1.895 0 40 DDAB OCCCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 105917397 WIFYFQMETBUIHO-UHFFFAOYSA-N 301.390 1.842 0 40 DDAB O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1O 1320538 UOLDULNJYFNGLF-INIZCTEOSA-N 301.273 1.944 0 40 DDAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3CC3)c2)nn1 9626541 SHJDMZHAXGTVRG-UHFFFAOYSA-N 317.370 1.896 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)NCC(C)(C)C)c(=O)[nH]n2C 72274086 QVWOREMBEYWYFO-UHFFFAOYSA-N 304.394 1.583 0 40 DDAB CCCc1nnc(NC(=O)NC[C@@H](C)N2CCOCC2)s1 43556134 UPSIJAKDDATUSB-SNVBAGLBSA-N 313.427 1.333 0 40 DDAB C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 25501915 RJKOWZJDMAXEBR-CYBMUJFWSA-N 317.389 1.473 0 40 DDAB CCN(C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 72274276 OFBKBTHISGSFKF-HNNXBMFYSA-N 318.421 1.038 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100634637 OIMVXRBBDDKOPR-JUFZMCDQSA-N 305.355 1.203 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 58148720 MDWQYRPFSMKWOF-MRVPVSSYSA-N 324.328 1.331 0 40 DDAB O=C(CNC(=O)OCc1ccccc1)Nc1c[nH]ccc1=O 58180833 LEOSRRLSYCTSDM-UHFFFAOYSA-N 301.302 1.240 0 40 DDAB Cc1nc(CN2CCO[C@H](CN(C)c3cccnn3)C2)cs1 84274761 NIYVJBPICVCORC-CQSZACIVSA-N 319.434 1.579 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2ccco2)NC(=O)N[C@@H]1CC 58171307 YYBBDTKYJRQVHU-GFCCVEGCSA-N 321.377 1.620 0 40 DDAB COc1cccc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 3349645 QYBJLGJZAACBDW-UHFFFAOYSA-N 302.330 1.929 0 40 DDAB C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)n1cncn1 44910891 CGUGUUNFZOAFNG-FZMZJTMJSA-N 321.812 1.912 0 40 DDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCO1 27864580 USAUJKINNNVEEE-RISCZKNCSA-N 317.393 1.357 0 40 DDAB c1ccc(CN2CC[C@@H](NC[C@@H]3CNc4ccnn4C3)C2)cc1 58308388 GCXVQXUBPIXJIC-IAGOWNOFSA-N 311.433 1.789 0 40 DDAB C[C@@H](NC(=O)CN1CCN(c2ccccc2F)CC1)C1CC1 58419901 FORFDHHEJKFCII-CYBMUJFWSA-N 305.397 1.862 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C(N)=O)c1ccccc1 45340675 OAZHDWJOALHTLH-XHDPSFHLSA-N 316.332 1.936 0 40 DDAB CNC(=O)c1cc(NC(=O)c2cccc3nn[nH]c23)ccc1F 97103903 YXJMEURRIWRMMO-UHFFFAOYSA-N 313.292 1.709 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)NCCc1ccccn1 29077320 AGCFULCFGJXYOP-UHFFFAOYSA-N 322.368 1.541 0 40 DDAB biogenic NCCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 22009219 XLDLLAFWGVDYHM-UHFFFAOYSA-N 307.419 1.595 0 40 DDAB in-vitro CCOC(=O)c1ccc(NC(=O)COC(=O)CSC)cc1 3427150 ZKTWOOOXEKHZJT-UHFFFAOYSA-N 311.359 1.708 0 40 DDAB Cc1cccc(N2C[C@H](/C(O)=N/S(C)(=O)=O)CC2=O)c1C 48479486 AWAWZGVTFBEVOU-LLVKDONJSA-N 310.375 1.572 0 40 DDAB CNC(=O)[C@H](Cc1ccccc1)NC[C@H]1Cc2ccccc2O1 97371683 QQWWMZJTOUTXIC-SJORKVTESA-N 310.397 1.937 0 40 DDAB O=C1NCCN(C(=O)[C@@H]2CCOC2)[C@@H]1c1ccccc1Cl 97372154 UEXRIRDTHPNEEP-ZWNOBZJWSA-N 308.765 1.376 0 40 DDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 71287110 QWUIFOKBXKBJLT-RYUDHWBXSA-N 320.345 1.350 0 40 DDAB CCONC(=O)CCNC(=O)c1ccc(Br)cc1 9112846 FKJOWYCNWXCXOC-UHFFFAOYSA-N 315.167 1.637 0 40 DDAB COC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O 5009933 KMUHZAIXVCRGGC-UHFFFAOYSA-N 301.327 1.693 0 40 DDAB CC1(C)Cc2cccc(OCC(=O)NC3=NCCS3)c2O1 6257665 HDKBMUSQHFIEPX-UHFFFAOYSA-N 306.387 1.998 0 40 DDAB CCOC(=O)CS(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 65494981 UPLYWYATEZLIBS-UHFFFAOYSA-N 315.366 1.683 0 40 DDAB C[C@H](CNC(=O)NCCc1cn2ccccc2n1)N1CCCC1 65452501 ONWJKAAOMNMOGY-CQSZACIVSA-N 315.421 1.660 0 40 DDAB Cc1cc(NC(=O)N2CCC[C@H](C(=O)N(C)C(C)C)C2)n(C)n1 65591383 IBEGIDVIRKIAAG-ZDUSSCGKSA-N 321.425 1.839 0 40 DDAB NC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14113354 GDIIEVOEYCNNPG-UHFFFAOYSA-N 311.297 1.369 0 40 DDAB Nc1nnc(SCC(=O)NC(=O)C2CCCCC2)s1 14139681 URXNLGHXKWJQJJ-UHFFFAOYSA-N 300.409 1.436 0 40 DDAB Cn1c2c(c(=O)n(C)c1=S)[C@H]1c3ccccc3OC[C@H]1CO2 6624136 MGJYRALOYDNBNL-JOYOIKCWSA-N 316.382 1.986 0 40 DDAB biogenic CCOC(=O)C1CCN(C(=O)CN(C)[C@H]2C=CCCC2)CC1 66497862 WEOXYDLSWNOMKF-HNNXBMFYSA-N 308.422 1.829 0 40 DDAB O=C(NC[C@]1(O)CCCc2ccccc21)c1ccc2[nH]nnc2c1 66931609 TYUIAXSHWSUMTJ-GOSISDBHSA-N 322.368 1.912 0 40 DDAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](C)C3 20632303 SARNQJLJYJPZFF-SSDOTTSWSA-N 306.347 1.154 0 40 DDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCCC1 5865652 GQYMRPJAKRYZDI-KRWDZBQOSA-N 313.357 1.002 0 40 DDAB O=C(NC1CC1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344223 CULZIJDIHSSITE-QMMMGPOBSA-N 302.309 1.334 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nccs1)C2=O 8131220 CWKHFUYATDIXAB-OTYXRUKQSA-N 322.390 1.582 0 40 DDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](n2ccnc2)C1 71796507 HOUJFCYCTLZCJE-LBPRGKRZSA-N 311.345 1.530 0 40 DDAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)NC[C@@H]1CCCO1 8231648 DJVCVGSSLOPHBL-AAEUAGOBSA-N 306.362 1.708 0 40 DDAB CC(C)OCCOC[C@H](O)CN(C)C(=O)NC1CCCCC1 70037379 PZUWAXOGPRLEJQ-OAHLLOKOSA-N 316.442 1.763 0 40 DDAB O=C1NC2(CCSCC2)C(=O)N1C[C@@H](O)c1cccc(F)c1 69570778 GCADZEIUIWMUOB-GFCCVEGCSA-N 324.377 1.677 0 40 DDAB O=C(CCSc1ccccc1F)NCC(=O)Nc1cn[nH]c1 69515310 QBJRSSSPIFUSBR-UHFFFAOYSA-N 322.365 1.786 0 40 DDAB CN1CCO[C@@H](CNCc2cc(Br)cs2)C1 69698947 FOIKVOXKBLBYGG-JTQLQIEISA-N 305.241 1.931 0 40 DDAB O=C(c1ccc(N2CCCC2)nn1)N1CC[C@@]2(CCOC2)C1 97014179 QKGSZMIJWSTFDI-MRXNPFEDSA-N 302.378 1.329 0 40 DDAB Cn1ccnc1CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 69843704 LVBIDJJBERWGOW-UHFFFAOYSA-N 316.453 1.689 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)CCNc2ncccn2)C1 69876037 SLZAKVRAKROUAN-CQSZACIVSA-N 314.393 1.647 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1 25309814 OZUWPPXWXREQRS-NSHDSACASA-N 314.345 1.420 0 40 DDAB Cc1cc(C[S@@](=O)CC(=O)N2CCc3ccccc3C2)on1 71859048 ZADKAPKALHTDET-QFIPXVFZSA-N 318.398 1.817 0 40 DDAB O[C@H](COc1ccc(F)cc1)CN1CCC[C@@H]1Cn1cccn1 71875602 DZNXCXDYAZFUKY-CVEARBPZSA-N 319.380 1.927 0 40 DDAB C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1c1ccccc1 97032206 STACMMOTCSIYKO-SWLSCSKDSA-N 310.419 1.488 0 40 DDAB CCCCN(CCO)C(=O)c1ccc(OC)c(OC)c1OC 84744401 AVTDHOFKZOJNKL-UHFFFAOYSA-N 311.378 1.947 0 40 DDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1[C@H](C)C1(F)F 95942996 ROSZUDBJBXFOGQ-GUBZILKMSA-N 306.378 1.658 0 40 DDAB O=C(CCn1ccc2ccccc21)N[C@H]1CCS(=O)(=O)C1 74734185 BXBOAMNASZRVBW-ZDUSSCGKSA-N 306.387 1.335 0 40 DDAB CNC(=O)COC1CN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 75094003 DNNSJPFRGUNJJZ-SNVBAGLBSA-N 322.430 1.460 0 40 DDAB Nc1ncncc1CNC(=O)c1cccc(CN2CCCC2)c1 89774492 ZEQNTXFBIPUFQM-UHFFFAOYSA-N 311.389 1.585 0 40 DDAB O=C1NC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)N1 89874899 SNQVGYQXESZNIP-CMPLNLGQSA-N 314.345 1.215 0 40 DDAB O=C1CC[C@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)N1 89830533 MIZGRRMCUPBKSZ-JKSUJKDBSA-N 316.401 1.515 0 40 DDAB Cc1cc(CS(=O)(=O)N2CCc3cc(C(=O)O)ccc32)on1 548215008 CIMFMHKSIJNGIL-UHFFFAOYSA-N 322.342 1.574 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)COC)ccc1C 408619691 INKNKRWTDDMPPC-NSHDSACASA-N 314.407 1.058 0 40 DDAB CN(Cc1ncnn1C)C(=O)N[C@@H]1CCCOc2ccccc21 73976598 JETYWMZCUROAMF-CYBMUJFWSA-N 315.377 1.870 0 40 DDAB O=C(c1ccc2nnnn2c1)N1CCC[C@@H]1Cc1ccccc1 532065450 LINHAEOZQMWVPG-OAHLLOKOSA-N 307.357 1.972 0 40 DDAB CCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217699086 FYRMJRYUUOVQJX-VIFPVBQESA-N 316.379 1.130 0 40 DDAB Cc1ccc2nc([C@H]3CCCN3C(=O)Cn3cnnn3)[nH]c2c1 72346758 QRHNTRVIWTXFNA-CYBMUJFWSA-N 311.349 1.222 0 40 DDAB CC1CCN(C2=CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 32918888 RVANJIWXFMZTJA-UHFFFAOYSA-N 314.341 1.874 0 40 DDAB Cc1cc(NCCN2CCOCC2)n2c(n1)nc1ccccc12 33945180 ZDJXGYVIZKCJOJ-UHFFFAOYSA-N 311.389 1.935 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@H](C1)C(=O)[C@@H]1CCCN12 216525961 ASTMRLPYJIVQKR-AVGNSLFASA-N 323.389 1.315 0 40 DDAB CCN(CCNC(=O)c1cc[nH]c1C)C(=O)c1cc[nH]c1C 189647615 QYQHJPORXIBFED-UHFFFAOYSA-N 302.378 1.852 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(F)c(F)c2)n1 77837370 NITUEKNDGHCUSI-UHFFFAOYSA-N 324.287 1.344 0 40 DDAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1 226852841 OEIMIXRFHDGQRY-HIFRSBDPSA-N 315.373 1.935 0 40 DDAB Cc1cccc2c1cnn2CCC(=O)NC1CCN(C)CC1 40769036 FNXUPTNUBSITNR-UHFFFAOYSA-N 300.406 1.945 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)N(C)C2CCCC2)s1 40017358 QQGXZELKCAWVJG-UHFFFAOYSA-N 316.448 1.947 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2ccsc2)C1 225808121 BASLEFWTBNMGPC-NSHDSACASA-N 305.359 1.840 0 40 DDAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223584811 SHAPLXISHNGERX-KGLIPLIRSA-N 302.403 1.385 0 40 DDAB C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2)Cn1ccnc1 81806626 ZVQBVMVNFCZGQJ-GFCCVEGCSA-N 314.389 1.516 0 40 DDAB CC[C@@H](C)N(CC(=O)O)C(=O)Cn1nc(C)c(Cl)c1C 195544292 NEXNGICMLAGYRQ-MRVPVSSYSA-N 301.774 1.865 0 40 DDAB CCc1noc(CN2CCCc3ccc(S(N)(=O)=O)cc32)n1 81015180 LPOQOWOLIWJOQF-UHFFFAOYSA-N 322.390 1.232 0 40 DDAB COCCN1CCN(C(=O)[C@H]2CCCO2)Cc2ccc(C)nc21 96199047 NIVUQXYSQMOVKP-OAHLLOKOSA-N 319.405 1.364 0 40 DDAB O=C(c1ccno1)N1CCC[C@@]2(COCCN(CC3CC3)C2)C1 96076313 GZKIQKPSGJNNST-KRWDZBQOSA-N 319.405 1.639 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1 96054436 HXLWLHUQBPOXEO-OLZOCXBDSA-N 316.386 1.268 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)cc(F)c1 96413615 XAEMMIYAENDURQ-BJOHPYRUSA-N 314.332 1.817 0 40 DDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1[C@@H]1CCOC1 96070194 WEEQZAMVNOSJQT-WCQYABFASA-N 304.394 1.075 0 40 DDAB CC1(C)CCCN[C@@H]1C(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1 333391533 OXESSTCXHPIOMB-IXDOHACOSA-N 315.461 1.966 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNCC1CCOCC1)OCC2 96044333 SJCDPXNKDHBARS-OAHLLOKOSA-N 309.410 1.160 0 40 DDAB CC[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 333897638 RXWILAWNFPUUKY-YFKTTZPYSA-N 324.343 1.756 0 40 DDAB CC(C)CN1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226043 JCUWPFFKYNDFSA-MRXNPFEDSA-N 302.378 1.897 0 40 DDAB O=C(c1cc(F)ccc1O)N1CCN([C@@H]2CCSC2)CC1 96468308 XMUZEEKPPSAKLC-GFCCVEGCSA-N 310.394 1.795 0 40 DDAB Cn1cc(CNC2CCN(C(=O)c3ccccc3F)CC2)cn1 97159091 MQLIHKILXJWTQN-UHFFFAOYSA-N 316.380 1.954 0 40 DDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccoc3)C2)O1 96063303 DNUBQJUMSMLYRB-ZBFHGGJFSA-N 308.378 1.231 0 40 DDAB CCN(CC)Cc1cnc2n1CCN(C[C@H]1CCOC1)CC2 96196836 VTLZAYQCAMSRSF-OAHLLOKOSA-N 306.454 1.620 0 40 DDAB CN(C)C(=O)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108793 JLGIZDMGRAVTHR-GDBMZVCRSA-N 312.410 1.060 0 40 DDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1C(=O)c1cccs1 96069083 LIHPJFHCKHAECA-NWDGAFQWSA-N 324.402 1.138 0 40 DDAB CN(C)C[C@@H]1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)CC[C@@H]21 96065609 FQQMSRVBZLSADX-BPUTZDHNSA-N 324.446 1.274 0 40 DDAB CC(=O)NCC(=O)N1CCc2ncnc(-c3ccccc3)c2CC1 96255376 NSKWMTHYEDHDRV-UHFFFAOYSA-N 324.384 1.207 0 40 DDAB CN(C)C(=O)N1CC[C@@H](F)[C@@]2(CCN(C(=O)c3ccco3)C2)C1 96241236 YPTLUKGMJJSZSU-CZUORRHYSA-N 323.368 1.837 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)CCn2cnc3ccccc32)[C@H]1O 257318953 VQBOMQKPGMSDRY-XNRPHZJLSA-N 303.362 1.081 0 40 DDAB COCc1nnc(NC(=O)c2cc(C)nc3ccnn23)s1 257318915 VPYHYBKIBUPDQJ-UHFFFAOYSA-N 304.335 1.288 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cn3c(C)cccc3n2)[C@H]1O 257338369 YXBNOCDGABVSEX-XNRPHZJLSA-N 317.389 1.691 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 257314112 UVJIWVPLHJTGBY-LBPRGKRZSA-N 306.391 1.681 0 40 DDAB CN1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H](C(N)=O)C1 257330208 XNJRCGOFVHSKIX-LBPRGKRZSA-N 315.339 1.554 0 40 DDAB CC(C)N1CCN(CCCN2CCC[C@@H](N(C)C)CC2)CC1 252508361 XLKIODAOAUQUEU-GOSISDBHSA-N 310.530 1.819 0 40 DDAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cnn(C)c2)ccn1 257232569 GLKSUZJXDSTMTL-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)[C@@H]2C[C@H]2C)C3)n1 575404205 MRSMLDWBUCSNCR-MRVWCRGKSA-N 317.389 1.580 0 40 DDAB COC[C@@H]1CCn2nccc2CN1C(=O)c1cnc(C)cn1 585096846 DPSWWTPSKVYVRV-ZDUSSCGKSA-N 301.350 1.043 0 40 DDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3cccs3)[C@H]3CO[C@@H]2O3)c1 952844626 CGHHLUMIPQUQSM-ARILJUKYSA-N 321.402 1.069 0 40 DDAB biogenic,in-vitro O=C(Cc1cccc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269281 NSWLVPLACOTFJT-JKSUJKDBSA-N 322.836 1.940 0 40 DDAB O=C(NCc1ccncc1)N1CCN(c2ccccc2O)CC1 53509334 OBQPYEDUOJVJGY-UHFFFAOYSA-N 312.373 1.819 0 40 DDAB CC(=O)N1CCc2nnc([C@@H]3CCCCN3CC3CC3)n2CC1 72372796 QFSQJTASPGNCPK-HNNXBMFYSA-N 317.437 1.620 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCOCO2)c(Cl)cc1F 95435037 JSMYTCOPUOTOSI-VIFPVBQESA-N 323.773 1.829 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H]1c1noc(C2CC2)n1)n1cncn1 78881337 NNQVSHPCTQUQLD-ONGXEEELSA-N 302.338 1.463 0 40 DDAB CCc1cnc(CNC(=O)N2CCNC(=O)[C@@H]2C(C)C)s1 80533005 KRAZTWWQUWYSKP-LBPRGKRZSA-N 310.423 1.372 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)CNCc2ccccc2)c1 57945391 GRIGCCXKGWAJJZ-UHFFFAOYSA-N 319.386 1.062 0 40 DDAB COC[C@@H](C)N(C)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 40553967 ZKKGKNKNXVCTJW-ATWMFIQVSA-N 314.389 1.833 0 40 DDAB C[C@H](C(=O)N1CCCC1)n1nc(-c2ccco2)cc(N)c1=O 12181349 CBVPIHZCNWQCQT-SNVBAGLBSA-N 302.334 1.269 0 40 DDAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCC1 12182683 BRCWXEICKOLVSC-GFCCVEGCSA-N 300.362 1.486 0 40 DDAB CCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12946660 IUOJFKAAURRBFT-LBPRGKRZSA-N 318.373 1.727 0 40 DDAB CCc1ccccc1NC(=O)C[C@@H]1SC(NC(=N)N)=NC1=O 13637719 FTVFHQVVOUSZIP-JTQLQIEISA-N 319.390 1.059 0 40 DDAB COCCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 15437678 RWXAAXNTETULJB-UHFFFAOYSA-N 322.380 1.831 0 40 DDAB COc1ccc2c(c1)C[C@@H](C(=O)NCc1noc(C)n1)CO2 19286054 UVORJJIEAXLOMY-LLVKDONJSA-N 303.318 1.254 0 40 DDAB Cc1cc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c(C)o1 575609358 WMHDDBMUQJZKSN-UHFFFAOYSA-N 315.373 1.762 0 40 DDAB CCN(CC)CCNC[C@H]1c2cc(O)c(OC)cc2CCN1C 22026997 RIEVIAZFKJDEBZ-INIZCTEOSA-N 321.465 1.861 0 40 DDAB CC[C@@H](OC[C@@H](O)CN1CCN(CCO)CC1)c1ccccc1 22465844 WONTZVDBJAIKFS-ZWKOTPCHSA-N 322.449 1.125 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1cccs1 23106525 CRHAACMHJFWCBR-LBPRGKRZSA-N 309.435 1.526 0 40 DDAB Cc1noc([C@@H]2C[C@@H](F)CN2c2ncnc3c2cnn3C)n1 585146120 KSLYYFJDADIVRD-SCZZXKLOSA-N 303.301 1.344 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccnc1 10262235 CMVBVYJMULDARR-SNVBAGLBSA-N 320.374 1.612 0 40 DDAB COc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 9909445 YOEVHQDEEKOAJI-UHFFFAOYSA-N 320.374 1.646 0 40 DDAB Cc1cnc(N2CC[C@H](COc3cc4c(nn3)CCC4)C2)nc1 1888856961 BLPQYUOHXUFMQU-ZDUSSCGKSA-N 311.389 1.969 0 40 DDAB CSc1nccc(N2CCO[C@H](C(=O)N3CCCC3)C2)n1 1889098694 SREBRJZTEOIPEN-NSHDSACASA-N 308.407 1.026 0 40 DDAB CSc1nc(C)cc(N2CCO[C@H](C(=O)N3CCCC3)C2)n1 1889099125 RLEGRWPGFDWFHF-LBPRGKRZSA-N 322.434 1.335 0 40 DDAB NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 36296876 FWIOTMKRJWILEM-UHFFFAOYSA-N 306.790 1.839 0 40 DDAB CC(C)NC(=O)C(=O)Nc1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 9738152 RJKRAAJPHVTTHG-JTQLQIEISA-N 315.373 1.546 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)n2nnnc2N1 15080068 ZTEVICYNQIKUFU-ZDUSSCGKSA-N 315.333 1.619 0 40 DDAB COc1cnc(O[C@H]2CCN(c3cc(C)nc(C)n3)C2)nc1 2086883031 WUWOGXWZNBSNBV-LBPRGKRZSA-N 301.350 1.550 0 40 DDAB Cc1nsc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1 2298032374 RPSFXDLJWWGYBG-UHFFFAOYSA-N 321.406 1.242 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1COCCO1)CC2 30879766 PZMAHUBIZFVPRY-OAHLLOKOSA-N 307.346 1.004 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccc(Br)o1 30214641 RLDGSMKABGELCM-LURJTMIESA-N 304.144 1.057 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1F 30334995 WPDGAFUXGGGUIE-VHSXEESVSA-N 303.355 1.632 0 40 DDAB CCc1cc2c(=O)n(CC(=O)NCCOC)c(C)nc2s1 20158355 JSUCSZNOHROCMP-UHFFFAOYSA-N 309.391 1.091 0 40 DDAB CS(=O)(=O)NCCNCc1ccc(Br)s1 20203518 UNSHFUFZSKMEMR-UHFFFAOYSA-N 313.242 1.149 0 40 DDAB CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 31395711 MJLWLUCMASJIAZ-QWRGUYRKSA-N 317.389 1.737 0 40 DDAB CCn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21 100534614 OCBIWEYRZVMJLH-UHFFFAOYSA-N 310.313 1.769 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100617326 XTVYWQYFLZVDAA-CYDGBPFRSA-N 317.297 1.066 0 40 DDAB Cc1n[nH]c(SCC(=O)Nc2nnc(CC(C)C)s2)n1 199814 YMELAUVHMCJHDZ-UHFFFAOYSA-N 312.424 1.894 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 51381738 NLSHXUKNHLZEJE-YOEHRIQHSA-N 320.389 1.531 0 40 DDAB O=C(Cc1ccccc1)NCCNC(=O)C1[C@H]2CCCC[C@H]12 101407515 YEYXFEZBQDOZHR-GJZGRUSLSA-N 300.402 1.898 0 40 DDAB CN1CCN(CCCCNC(=O)c2ccc(F)cc2F)CC1 41362338 SQQQJMZBASSPOJ-UHFFFAOYSA-N 311.376 1.722 0 40 DDAB CCc1cc2oc(=O)cc(CN3CCNC(=O)C3)c2cc1Cl 33040273 XXBSJRVPCQRYFT-UHFFFAOYSA-N 320.776 1.941 0 40 DDAB Cc1nc2cc(NS(=O)(=O)c3cnn(C)c3)ccc2n1C 79051779 VDVMCIHVERHWPV-UHFFFAOYSA-N 305.363 1.416 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)NCC2CC2)C1 52931063 YMSWZVBGJBLNLZ-HOTGVXAUSA-N 315.417 1.451 0 40 DDAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1ccncc1 79502263 PQIDXJGICRNMHJ-UHFFFAOYSA-N 320.312 1.078 0 40 DDAB CC(C)OC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 533363 NOIMPCHNADQSPR-UHFFFAOYSA-N 310.354 1.842 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccn1 42379760 QCQSEVOULGISDG-GXTWGEPZSA-N 301.390 1.907 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCN(C)C1 54220989 GFQPTIZLAXHTON-JTQLQIEISA-N 303.391 1.342 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)NC1 57882722 CQCVNFXLGLNWHJ-UHFFFAOYSA-N 321.352 1.388 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)NCc1cccnc1 47597555 HUUDSEJOAOWETM-UHFFFAOYSA-N 315.329 1.689 0 40 DDAB CC(C)CNC(=O)NC(=O)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106024320 XXOSVZJSDVNHBI-AVGNSLFASA-N 310.394 1.838 0 40 DDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@@H](C)OC[C@@H]1C 55258908 OKXITLWJSHNLMD-NWDGAFQWSA-N 316.405 1.915 0 40 DDAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(n1cc(CN)nn1)C2 103716950 YXFLJZCLLFUPRT-VXGBXAGGSA-N 307.398 1.840 0 40 DDAB CCN(CC)C(=O)[C@H](C)N1CCN(c2nc(C)cs2)CC1 47891390 HULFFHYBHDMYNP-ZDUSSCGKSA-N 310.467 1.830 0 40 DDAB CCCCNC(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 57478687 UREFDAJIBKYKKE-UHFFFAOYSA-N 309.391 1.161 0 40 DDAB COC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1 57993734 VNXPVDCTEACLGH-LBPRGKRZSA-N 321.377 1.315 0 40 DDAB O=C(NC1CCN(C(=O)c2ccccn2)CC1)c1cccnc1 58282401 FAMYDGSZEGGVGE-UHFFFAOYSA-N 310.357 1.511 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)N[C@H](C)c1ccc(F)cc1 3339149 WXKMFPPJFZAPGZ-RKDXNWHRSA-N 309.370 1.707 0 40 DDAB Cn1c(CN2CCC(C(N)=O)CC2)nc2cc(Cl)ccc21 44974342 IAOZSCRAEJDULJ-UHFFFAOYSA-N 306.797 1.924 0 40 DDAB Cn1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cn1 44915786 PGRLHALXYRNHSX-UHFFFAOYSA-N 300.240 1.239 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc(F)c1F 72300600 BDPIKQRDMSKWOU-MFKMUULPSA-N 318.389 1.724 0 40 DDAB O=C(N[C@@H](CO)Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 36569705 AFPLDPXQZBWSOO-CYBMUJFWSA-N 323.352 1.257 0 40 DDAB CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccccc2)c1C 12860179 PAJVUCYKFMLYGD-UHFFFAOYSA-N 308.359 1.914 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)c1C 29789619 UVXGQRIBZSRPKP-ZFWWWQNUSA-N 316.401 1.904 0 40 DDAB COc1ccc(Cl)cc1NC(=O)N[C@H]1CCS(=O)(=O)C1 48469177 NIZMCKRZUNMRFE-VIFPVBQESA-N 318.782 1.657 0 40 DDAB CCNC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC 12917849 KYMOHUHGDLEIKH-UHFFFAOYSA-N 313.785 1.355 0 40 DDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnccn1 12905400 FSPJZBYWYAUVGU-UHFFFAOYSA-N 320.299 1.856 0 40 DDAB CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705314 BYOOAHAXWKSEAD-UHFFFAOYSA-N 302.371 1.508 0 40 DDAB NC(=O)c1c(O)n(-c2ccc(Cl)cc2)c(=O)c2nnsc12 6058904 PHMNPKHFOSCZJV-UHFFFAOYSA-N 322.733 1.300 0 40 DDAB CCCCN1C(C)=CC(=C2C(=O)NC(=S)NC2=O)C=C1C 4264139 YHAIKZGZSHSTMW-UHFFFAOYSA-N 305.403 1.737 0 40 DDAB O=C(NN1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 14170516 GUBCPRHBMBGAHU-UHFFFAOYSA-N 312.373 1.727 0 40 DDAB CC(=O)c1cnn(-c2cc(N3CCN(C)CC3)nc(C)n2)c1C 5428332 CSPGTCVDSOOPJZ-UHFFFAOYSA-N 314.393 1.234 0 40 DDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)OCO2 6526827 BXFOEAFPVAIKKD-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB NC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 14806151 CDLPQZZTVKPECB-CYBMUJFWSA-N 324.789 1.845 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)CSc1cn[nH]n1)OCO2 4945289 VOUPDEKRALIEOH-UHFFFAOYSA-N 320.330 1.467 0 40 DDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046831 QVRWXARDTHDMCH-UHFFFAOYSA-N 323.393 1.320 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)c(Cl)c1 15443375 NDFKJHXZDFOVPE-SECBINFHSA-N 316.810 1.445 0 40 DDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1c(C)noc1C)C2 90168363 ZTDDNSIERQRFOU-NSHDSACASA-N 310.379 1.090 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 72235704 IFTURMQVYGVQKN-UONOGXRCSA-N 304.394 1.142 0 40 DDAB CN(CC(=O)N(C)C)Cc1nc(-c2ccc(Cl)cc2)no1 7592619 GFSILEWRBOTQPM-UHFFFAOYSA-N 308.769 1.910 0 40 DDAB Cc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 8024778 OZYRRKFMWNRVOJ-JTQLQIEISA-N 323.823 1.577 0 40 DDAB Cc1cc(C)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1 8020345 ONXROCXZOPBGJB-UHFFFAOYSA-N 306.391 1.395 0 40 DDAB CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(N(C)C)o1 21991744 OSCGDTNTSWVAFL-DHZHZOJOSA-N 300.384 1.463 0 40 DDAB O=[S@](CCN1CCN(c2ncccn2)CC1)c1ccccc1 69379182 IOJPEFCGOIZQPC-QFIPXVFZSA-N 316.430 1.406 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)CCNc3ncccn3)C2)c1 69464650 OWAVFCKSMDNWPI-CQSZACIVSA-N 314.393 1.647 0 40 DDAB Cc1noc(C)c1CN1C(=O)c2ccccc2CS1(=O)=O 69454571 MAVMWXCBKKVYOV-UHFFFAOYSA-N 306.343 1.777 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CCO1 69440839 KKYHJKQWIIMDKZ-IAGOWNOFSA-N 316.401 1.597 0 40 DDAB Cc1cnn(CCC(=O)N[C@H](c2ccccc2)c2n[nH]c(C)n2)c1 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DDAB COC[C@@]1(C(=O)O)CCN(c2ncnc3scc(C)c23)C1 519761632 AAUNFHPIYRRIML-CQSZACIVSA-N 307.375 1.927 0 40 DDAB COCCN1CC[C@H](NCc2cnn(-c3ccccc3)c2)C1 78663167 ZYSYVYWQIRVSFF-INIZCTEOSA-N 300.406 1.683 0 40 DDAB Cc1occc1C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 79002135 QVVCEBYHRYZYJX-SNVBAGLBSA-N 304.268 1.823 0 40 DDAB CC(=O)Nc1nc(C(=O)NCCN2CCCC[C@@H]2C)cs1 46861097 PCTWOPWNIWRQCH-JTQLQIEISA-N 310.423 1.706 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H]1Cc1cccc(F)c1)S(C)(=O)=O 79351942 UZHQDPYNXUGPJV-BXUZGUMPSA-N 313.394 1.792 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1Cl 30553845 ZIYYOMISYQSUFI-LBPRGKRZSA-N 316.810 1.380 0 40 DDAB CC(=O)N1CCC[C@@H](c2ncc(C(=O)N3CCCC3)c(C)n2)C1 72352006 JJUXGCAYKKJNFR-CQSZACIVSA-N 316.405 1.747 0 40 DDAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217705576 BYRQOFDXYBGKBB-UHFFFAOYSA-N 310.331 1.498 0 40 DDAB CC(=O)N(CCC(=O)N1CCO[C@@H](C)C1)Cc1ccccc1 78395024 XLZGTZLCPLQQLJ-AWEZNQCLSA-N 304.390 1.673 0 40 DDAB COC(=O)c1cc(NC(=O)C(=O)NCc2ccco2)ccc1O 40283352 ROWPQRCHGVLYQA-UHFFFAOYSA-N 318.285 1.027 0 40 DDAB CC(C)S(=O)(=O)NC1=NCN(CCC2=CCCCC2)CN1 40387366 DCZOUDNMYGWWNK-UHFFFAOYSA-N 314.455 1.381 0 40 DDAB C[C@@]1(C2CCN(Cc3ncccc3Cl)CC2)NC(=O)NC1=O 528398645 FZBZSKIHTDTUIL-HNNXBMFYSA-N 322.796 1.545 0 40 DDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cc3ccccn3c1)CC2 225787681 MFNYGCODYSDHLG-CQSZACIVSA-N 322.368 1.320 0 40 DDAB CCCCNC(=O)NCc1ccc(OCC(N)=O)c(OC)c1 40549258 LAFPDIYZHJHZQV-UHFFFAOYSA-N 309.366 1.159 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc(C)ccc1C 47030531 ATENQZIKZVGFMD-UHFFFAOYSA-N 312.435 1.839 0 40 DDAB O=C1C[C@@H](NC[C@@]2(O)CCSC2)CCN1c1ccccc1 193137184 NLUXDDSDPFYLQB-BBRMVZONSA-N 306.431 1.640 0 40 DDAB CC[C@H]1CCCCN1CCNC(=O)c1cc(C)[nH]c(=NC)n1 330701137 ZAJJBTWTLBZTNW-ZDUSSCGKSA-N 305.426 1.243 0 40 DDAB CCNC(=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC 95405872 ZFMLJYGMGYCQFD-OLZOCXBDSA-N 312.801 1.253 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(C(=O)c4ccoc4)C[C@H]32)nn1 96054408 OMALWPKGUNMEKM-KGLIPLIRSA-N 314.345 1.108 0 40 DDAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccncc3)n2)cc1OC 95533787 RKQVVCUYZDSLHV-CQSZACIVSA-N 311.345 1.932 0 40 DDAB O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1ccncc1 96059756 JXUYPMZURXGCBT-OAHLLOKOSA-N 312.373 1.732 0 40 DDAB O=C(C1CCOCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107261 GIQJZVLMPMBIDJ-AEFFLSMTSA-N 323.433 1.990 0 40 DDAB CC(C)(C)OC(=O)N1Cc2c(-c3ccoc3)nnn2C[C@@H]1CO 96060903 DBSSCBGCHHPXCN-LLVKDONJSA-N 320.349 1.650 0 40 DDAB CC(C)Cn1cc(N2C[C@H](C(=O)NCC3CC3)CC2=O)cn1 96192157 HSGVCAGYDFASIE-CYBMUJFWSA-N 304.394 1.418 0 40 DDAB CCn1cnnc1CCNC(=O)c1cc(F)cc(Cl)c1O 97228826 VEDATTLRUNFINU-UHFFFAOYSA-N 312.732 1.769 0 40 DDAB O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccccc1Cl 85471693 NVVGSODOAIUVNN-GFCCVEGCSA-N 308.721 1.721 0 40 DDAB COCCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 247895040 UTMAXCVMFKOLFK-HNNXBMFYSA-N 320.389 1.395 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(CN)C(=O)O)cc1 242648569 RAQRABVSSMLRLU-UMVBOHGHSA-N 311.403 1.179 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2nccc3ccccc23)CCO1 257241299 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C[C@]1(NC(=O)CCOc2ccc(F)cc2)CCS(=O)(=O)C1 24861518 CNNRUWPNFKYQLZ-AWEZNQCLSA-N 315.366 1.288 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)NCCc2ccn(C)n2)C12CCCC2 390834478 ZMXDYJWFQHYJFE-GJZGRUSLSA-N 320.437 2.000 0 40 DDAB COc1nc(CNC(=O)c2cccc(F)c2)nc(N(C)C)n1 575603860 LYQAXLBRXXZUTJ-UHFFFAOYSA-N 305.313 1.015 0 40 DDAB O=C1C[C@@H]2[C@@H](CCN2C(=O)c2ccnc(F)c2)N1CC1CC1 585107653 JNZAZUZVEYGLDO-CHWSQXEVSA-N 303.337 1.446 0 40 DDAB OC[C@]1(Cc2ccc(F)cc2)CN(c2ncccn2)CCO1 585275570 GWCBLNZVLBAYGL-INIZCTEOSA-N 303.337 1.426 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)C2CCNCC2)C1 585278450 SOHXOZCWYCQRKZ-SFHVURJKSA-N 318.417 1.337 0 40 DDAB CCOCCN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 69655631 YFWUYNICDAXTLO-OAHLLOKOSA-N 309.385 1.006 0 40 DDAB O=C(NCc1ccc(Cn2cncn2)cc1)NC[C@@H]1CCCO1 47594368 JCHNZDUYWKVXRI-HNNXBMFYSA-N 315.377 1.305 0 40 DDAB Cc1nc(CCNC(=O)c2ccnc(-n3cncn3)c2)cs1 54705136 YUNUQZUTWTXYIW-UHFFFAOYSA-N 314.374 1.400 0 40 DDAB Cc1cc(OC(C)C)ccc1NC(=O)N1CCO[C@H](C(N)=O)C1 51617473 PUDBFBMKUKBSMK-AWEZNQCLSA-N 321.377 1.500 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@]2(O)c2cccnc2)C1 72342964 QDPLVDRSABCOAF-CFVMTHIKSA-N 310.419 1.351 0 40 DDAB CC(C)COC(=O)N1CCN(Cc2nnnn2C(C)C)CC1 84544329 ZBYXFOBPHXIDJY-UHFFFAOYSA-N 310.402 1.164 0 40 DDAB CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 76018754 PGYOZUDLVRFLQS-ZWNOBZJWSA-N 310.781 1.987 0 40 DDAB C[C@@H](C(N)=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 79064409 VTSUTDICGSTYRH-JTQLQIEISA-N 310.785 1.363 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)N[C@@]1(C)c1c(C)ccc(C)c12 17060469 YWXDPGKWWJXOIC-HDICACEKSA-N 315.369 1.993 0 40 DDAB Cc1cccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c1 19946416 QCUSCHXTSOEPJV-UHFFFAOYSA-N 310.419 1.820 0 40 DDAB CCN(Cc1cnn(C)c1)[C@@H]1CCOC2(CCN(C)CC2)C1 643914790 WTIXWEVZIPSTFZ-MRXNPFEDSA-N 306.454 1.885 0 40 DDAB Cn1cncc1CN1CC[C@@](O)(COc2cccc(F)c2)C1 643914070 KNFVDJXIXVMXHC-INIZCTEOSA-N 305.353 1.575 0 40 DDAB Cc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1 1889078136 QBKLHBKZTRXVCS-UHFFFAOYSA-N 317.372 1.107 0 40 DDAB Cn1c(N2CCO[C@@H](C(=O)NC3CC3)C2)nc2ccccc21 1889103085 COHMHXQNTHOEGL-CQSZACIVSA-N 300.362 1.057 0 40 DDAB Cc1cc(=O)n2nc(CSc3nnc(N)s3)sc2n1 8665655 WPHGUISTWNATNM-UHFFFAOYSA-N 312.405 1.185 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@@H](NC4CCC4)CS3)C2)c1 2056225359 NMXIIIXGWGVPFU-GFCCVEGCSA-N 306.435 1.262 0 40 DDAB O=C([C@H]1CCO[C@H]2CCN(c3ccncn3)C[C@@H]21)N1CCCC1 1565539253 JVYOJHXIUGAMHQ-ZNMIVQPWSA-N 316.405 1.330 0 40 DDAB CCCc1nnsc1C(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522871 ASMOQPALHPLERM-GFCCVEGCSA-N 324.450 1.427 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)CCc3ccc[nH]3)CC[C@@H]2C1 1565553075 JHIBBANPMWODFM-GDBMZVCRSA-N 305.422 1.517 0 40 DDAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 78701 ABVBOYDDLJKDFV-NFFDBFGFSA-N 319.744 1.454 0 40 DDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 5251097 RTEJCDCSAAFZSZ-SECBINFHSA-N 300.717 1.713 0 40 DDAB O=C(Cc1ccccc1Cl)N1CC[C@H](N2CCOC2=O)C1 618256089 DCAJEOWDNKNOBH-LBPRGKRZSA-N 308.765 1.936 0 40 DDAB CC(C)C(=O)N1CCN(Cc2nc(-c3ccco3)no2)CC1 40493984 CNGDZWKEFKOZKB-UHFFFAOYSA-N 304.350 1.630 0 40 DDAB Cc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)cn1 40541379 FDOQTPMVOXHPAF-UHFFFAOYSA-N 300.314 1.928 0 40 DDAB C[C@H](SCc1ccccc1)C(=O)NCC(=O)Nc1cn[nH]c1 51413423 XCERSAQHMJEMLU-NSHDSACASA-N 318.402 1.786 0 40 DDAB CCOC(=O)c1ccc(NC(=O)c2c(C(=O)O)cnn2C)cc1 20616733 ZMGWKCRELPQZET-UHFFFAOYSA-N 317.301 1.547 0 40 DDAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1OC 223153 XZRCIBSWIKJJCX-UHFFFAOYSA-N 317.341 1.838 0 40 DDAB CC(C)CCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 21133225 UMDAGVIMUXPHSF-UHFFFAOYSA-N 316.409 1.448 0 40 DDAB COc1ccc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)c(OC)c1 21333558 NNMCKLNUVIVZMQ-MRXNPFEDSA-N 322.405 1.823 0 40 DDAB O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NC2CC2)o1 32726754 HQMIIPWKHARDCU-UHFFFAOYSA-N 307.331 1.368 0 40 DDAB CCc1ncncc1C(=O)NC[C@@H](O)c1c(F)cccc1F 76085061 CUWMXINAWGDFBH-CYBMUJFWSA-N 307.300 1.781 0 40 DDAB CCOC(=O)CCCNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 29966363 AWEXKMJRVGTHLA-LBPRGKRZSA-N 322.336 1.711 0 40 DDAB Cn1cc([C@](C)(O)CNC(=O)/C=C/c2c(F)cccc2F)cn1 76092428 PLRPSIUOXYTOEX-FYCOFBDGSA-N 321.327 1.735 0 40 DDAB COc1ccccc1-c1nn(C)cc1/C(O)=N/S(C)(=O)=O 77940346 FFYPHGACQQOUAB-UHFFFAOYSA-N 309.347 1.360 0 40 DDAB COC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccnc1OC 79068672 VHHDXKOLZNGYNZ-QWRGUYRKSA-N 307.350 1.944 0 40 DDAB COC(=O)[C@@](O)(CC(=O)Nc1ccc(C)cc1)C(F)(F)F 2765995 PPBKDGAQZIXCPN-LBPRGKRZSA-N 305.252 1.790 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccco1 41976213 RBIVDEBPMVABCJ-YPMHNXCESA-N 305.378 1.009 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 6153190 YLJAYIWFOVSKPC-LBPRGKRZSA-N 310.419 1.809 0 40 DDAB CCN(CCNC(=O)Cn1ccccc1=O)c1ccccc1C 46992371 UKZMORGZMKAURJ-UHFFFAOYSA-N 313.401 1.799 0 40 DDAB CNC(=O)C1CCN(C(=O)CN(C)c2cccc(C)c2C)CC1 54290884 OORVBTGUXYEVMI-UHFFFAOYSA-N 317.433 1.724 0 40 DDAB C[C@H](NC(=O)COn1nnc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 103052759 OCNKOKCBEKYTDS-REWJHTLYSA-N 314.389 1.801 0 40 DDAB COCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 1336914 XCFWJAAXXKEPKA-UHFFFAOYSA-N 319.357 1.526 0 40 DDAB CNC(=O)CSc1nnc2n1CCN2c1ccc(OC)cc1 9651513 AFLFKRRLHFSWSS-UHFFFAOYSA-N 319.390 1.277 0 40 DDAB O=C(NC[C@H]1COCCO1)[C@H]1CCCN1C(=O)C1CCCCC1 55847828 IAOMLWYUSALZPZ-LSDHHAIUSA-N 324.421 1.089 0 40 DDAB C[C@H](NC(=O)CNC(=O)COc1ccccc1)c1ccccn1 25405508 ILNDQJGKFIYGRK-ZDUSSCGKSA-N 313.357 1.454 0 40 DDAB O=C1[C@H]2[C@H]3C=C(Cl)[C@@H](C3)[C@@H]2C(=O)N1CCN1CCCCC1 105594780 PRBXIZQWLUYXLM-RFHZTLPTSA-N 308.809 1.846 0 40 DDAB Cn1nccc1[C@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 107575946 XNFKZQDEMPWXPZ-XJKSGUPXSA-N 316.380 1.965 0 40 DDAB CN(C)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 26483088 PJRBMUBCJPSEJR-NEPJUHHUSA-N 311.432 1.406 0 40 DDAB COC(=O)[C@]1(C(F)(F)F)N=C2SC=CN2C(N(C)C)=N1 108452836 RCUBGMQNEDAEBN-SECBINFHSA-N 308.285 1.225 0 40 DDAB CN(C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccccn2)C1 48030290 XIVLRFFDHWZMCG-CYBMUJFWSA-N 304.394 1.134 0 40 DDAB CN(C)c1nc(N)nc(Cn2ccc(-c3cccs3)n2)n1 95394999 SBYRMDUURWRKHW-UHFFFAOYSA-N 301.379 1.493 0 40 DDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[C@@H]1CCCO1 44896572 FJJOLBORFQKBCF-KBPBESRZSA-N 302.374 1.873 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc2c(c1)OCC(=O)N2 48290002 OETXJJFCQFMIMU-NSHDSACASA-N 304.346 1.516 0 40 DDAB O=C(c1c[nH]nc1-c1ccccc1)N1Cc2cnn(CCO)c2C1 95389537 HQLJPVTZGVVNEC-UHFFFAOYSA-N 323.356 1.422 0 40 DDAB C[C@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)S(C)(=O)=O 44936398 UFDHVYUHSYCILQ-GFCCVEGCSA-N 321.402 1.264 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 44910326 SJYLVCIYEJXSJV-LBPRGKRZSA-N 308.403 1.189 0 40 DDAB CCN(C[C@@H](C)C(=O)OC)C(=O)c1cnc2onc(C)c2c1 58343971 HGLWPLSOFPIKSM-SECBINFHSA-N 305.334 1.802 0 40 DDAB O=C(CN1CCCC[C@@H]1Cc1ccccc1)N1CCNC1=O 58343560 ZKIUZAMJNOYYBY-OAHLLOKOSA-N 301.390 1.635 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCCCCO 2208680 KTHLHTHHNHRLAO-AWEZNQCLSA-N 308.378 1.233 0 40 DDAB C[C@@H](C(=O)N1CCN(Cc2cccs2)CC1)n1cncn1 45200419 LHBOOLIJIJATJV-LBPRGKRZSA-N 305.407 1.245 0 40 DDAB COC(=O)CCNC(=O)c1nc(N2CCCC2)ncc1Cl 36392550 CARWWUQTRSYXGP-UHFFFAOYSA-N 312.757 1.023 0 40 DDAB COC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 48343693 QYBBKNUMRZZDRT-UHFFFAOYSA-N 317.311 1.786 0 40 DDAB O=C(NCc1nnc2n1CCC2)N(Cc1ccco1)C1CC1 48302237 AVZPBDGEWUFZGX-UHFFFAOYSA-N 301.350 1.692 0 40 DDAB CCN(C)C[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 84760844 PCKBUIFMBZSZDJ-LLVKDONJSA-N 322.384 1.730 0 40 DDAB CCS(=O)(=O)c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 2538186 MHIVTKFVQCYDCD-UHFFFAOYSA-N 316.333 1.917 0 40 DDAB CS(=O)(=O)NCCCN1CCCSc2ccccc21 49066975 FNTNPRPDBKHINX-UHFFFAOYSA-N 300.449 1.928 0 40 DDAB O=S(=O)(NCc1ccccc1F)c1cccc2nonc12 13330472 LMJIBDXSCQFCJE-UHFFFAOYSA-N 307.306 1.840 0 40 DDAB CN[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2O)C1 97019464 MELXTALLMJHQIA-LBPRGKRZSA-N 318.352 1.459 0 40 DDAB CCc1cc(=O)[nH]c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 97014441 FKXLCWLDSIIKFO-SKDRFNHKSA-N 305.300 1.220 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)c1ccccc1 65474752 HJJGLAGWVFOAFZ-UHFFFAOYSA-N 315.421 1.314 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)C1CC1 65417411 ZGBKSGKBJPWOLS-GFCCVEGCSA-N 323.418 1.190 0 40 DDAB Cc1noc(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)n1 65590355 ZGERPSJRBBSQAZ-AWEZNQCLSA-N 322.271 1.623 0 40 DDAB CN1CCC(NS(=O)(=O)c2cccc3c2N=S=N3)CC1 14252263 ZQSYJJALYRIEQA-UHFFFAOYSA-N 312.420 1.786 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1ccccc1 96116812 UARAKJZSTFCICF-UHFFFAOYSA-N 307.357 1.564 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)CCc3ccccn3)CC2)S1 72298019 SCTRIMMWNLQYFO-CYBMUJFWSA-N 318.446 1.650 0 40 DDAB O=c1[nH]c2ccccc2nc1CS(=O)(=O)c1ccccc1 19854875 NMCDZRJSIZPALH-UHFFFAOYSA-N 300.339 1.897 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=S)NC[C@@H]2CCCO2)cc1 7636984 MGSQKKAWVSTQJA-AWEZNQCLSA-N 321.446 1.919 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccn1 16086221 NPIFOKKSHYLSLZ-LLVKDONJSA-N 320.370 1.892 0 40 DDAB Cc1ccc(F)cc1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 7725542 YPUOQNYTKSJXDL-UHFFFAOYSA-N 313.288 1.916 0 40 DDAB C[C@H]1CN(Cc2nc(-c3cccnc3)no2)CCN1C[C@@H](C)O 71877526 FHRSGEPCHWFKKZ-QWHCGFSZSA-N 317.393 1.019 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1 71825605 HEQMAEXDZRTYEM-CYBMUJFWSA-N 302.378 1.918 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2c(C)nn(C)c2C)c1 71869725 GDZAPNUOLBBSFX-CQSZACIVSA-N 301.394 1.847 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)OCc2cnn(-c3ccccc3)n2)cn1 70018961 HNZFYLRGDFMKMF-HOTGVXAUSA-N 323.356 1.848 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)Nc2cc(C)on2)n1 70009666 LPQGPJCTRBMLAS-CQSZACIVSA-N 317.393 1.899 0 40 DDAB CC[C@](C)(NC(=O)c1[nH]c(C)c(C(=O)OC)c1C)C(=O)OC 69416688 XTFDAKDBOLIDBZ-HNNXBMFYSA-N 310.350 1.490 0 40 DDAB O=C(c1ccc(N2CCCC2)nc1)N1CCCN2CCC[C@@H]2C1 69445138 FKNZWDMWLPDBNU-MRXNPFEDSA-N 314.433 1.992 0 40 DDAB CC(C)NC(=O)CCCC(=O)NCCN(C)c1ccccc1 69454765 BRWWXIBXZHREBY-UHFFFAOYSA-N 305.422 1.934 0 40 DDAB CCCCn1nnnc1CN1CCC[C@@H]1Cn1nc(C)nc1C 69598815 WZLWFVKMKUCXTD-CQSZACIVSA-N 318.429 1.346 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CC(N)=O)c1C 69538983 ZLYUEQGPTITBLB-LLVKDONJSA-N 321.377 1.288 0 40 DDAB O=C(COCC1CC1)NC[C@@H]1CN(Cc2ccccc2)CCO1 69531445 BANRNIOJVLHLNM-QGZVFWFLSA-N 318.417 1.430 0 40 DDAB COc1cc2nc(C)sc2cc1NC(=O)[C@@H]1CCC(=O)N1 69780526 XFZLVIFBJFZQOT-QMMMGPOBSA-N 305.359 1.830 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2ccc(OCc3cccnc3)cc2)N1 69780559 UKWHOEAXWYUSFQ-HNNXBMFYSA-N 311.341 1.878 0 40 DDAB COc1ccccc1CNC(=O)[C@H](C)N1CCC(CCO)CC1 69702633 HEHKRQWSTYYXSG-AWEZNQCLSA-N 320.433 1.794 0 40 DDAB COC(=O)CCN1CCCN(C(=O)Cc2cccc(F)c2)CC1 83891241 OBTOPMVUMACGAQ-UHFFFAOYSA-N 322.380 1.466 0 40 DDAB COc1ccc(C(=O)NCCN2CCN(CC(C)C)CC2)cc1 69878619 WJVASKXKZKCVGC-UHFFFAOYSA-N 319.449 1.699 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCCC[C@H]1Cn1cccn1 69946889 CAIWKMRIOBNEJX-HNNXBMFYSA-N 316.405 1.989 0 40 DDAB CCc1ccccc1OCC(=O)N1CCCC[C@@H]1CNC(N)=O 69950414 PXAUVBDGIOZAHE-CQSZACIVSA-N 319.405 1.677 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)c1noc3c1CCCC3)CC2 97198254 OADYXJCTAKPIFY-JTQLQIEISA-N 315.377 1.452 0 40 DDAB CN(C(=O)CN1CCO[C@H](c2nccs2)C1)c1nccs1 97200022 FORKRVQOAZUJEX-JTQLQIEISA-N 324.431 1.636 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)NCc2cccnc2)CC1 97595833 YTWQIWKDCBVGHN-OAHLLOKOSA-N 319.453 1.154 0 40 DDAB Cc1nccc(-c2ccccc2)c1C(=O)NC[C@]1(O)CCNC1 72145418 DSXWGQUJULLQLJ-SFHVURJKSA-N 311.385 1.511 0 40 DDAB COc1cc(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F 95985360 WKMUZSZJLGYPNP-KGLIPLIRSA-N 310.369 1.980 0 40 DDAB CC(=O)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 95975588 WPFGTCDUWXCMPY-QGZVFWFLSA-N 315.417 1.514 0 40 DDAB Cc1nn(C)c(C)c1CN[C@H]1CCN(c2ncccc2F)C1 95990142 VYSZDPBYMOIBOU-ZDUSSCGKSA-N 303.385 1.940 0 40 DDAB Cc1ccc(C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)c(=O)[nH]1 75123993 IVMXSYRYWDJXHU-PXAZEXFGSA-N 305.422 1.924 0 40 DDAB CC(C)(C)c1[nH]ncc1S(=O)(=O)Nc1cccc(C(N)=O)c1 89694640 GCHHCDHTPLEPDO-UHFFFAOYSA-N 322.390 1.607 0 40 DDAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1 89888027 ZSWNNNMDXVAKHX-SWLSCSKDSA-N 319.405 1.593 0 40 DDAB COc1cc(C)nc(N2CCC(Cc3nncn3C)CC2)n1 1548522887 NBNSESZQDPVTQA-UHFFFAOYSA-N 302.382 1.381 0 40 DDAB Cc1ccc(F)c(OCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1 1549736411 MYLXBLUDKASLNG-LLVKDONJSA-N 318.352 1.952 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 306144185 YYHULHROHOZPSG-ZDUSSCGKSA-N 304.394 1.656 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 306144227 YZTWVORNZBEFTG-GFCCVEGCSA-N 323.368 1.762 0 40 DDAB CC(C)c1n[nH]cc1C(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1 515300828 RDGXEBAQYMGZGQ-HIFRSBDPSA-N 306.410 1.502 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc([C@@H]3CCCN3C)ccn2)CC1 72387135 OMJQAMIDSPVNMM-INIZCTEOSA-N 316.405 1.153 0 40 DDAB COC(=O)CSc1nnc(C)n1-c1cccc(NC(C)=O)c1 32778970 VJNSLRLOBQKXQN-UHFFFAOYSA-N 320.374 1.799 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccccn2)C1 79293233 XHXITOYUIWHVHE-CHWSQXEVSA-N 305.378 1.366 0 40 DDAB Cc1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c(C)n1 73118853 GQHLOFXLWJRSET-GFCCVEGCSA-N 318.446 1.948 0 40 DDAB N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 72227226 FSEBTVODJKBUJL-LSDHHAIUSA-N 300.289 1.970 0 40 DDAB Cc1cccc(NC(=O)CCNC(=O)c2ccn(C(C)C)n2)n1 79044622 TYGCDYYLBPZHJF-UHFFFAOYSA-N 315.377 1.926 0 40 DDAB O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCNCC1 567754699 DOVPDUOLPLALRQ-UHFFFAOYSA-N 308.288 1.720 0 40 DDAB C[C@@H](C(=O)O)C(=O)Nc1ccccc1NC(=O)N1CCCC1 565835943 KOJQLRCHENFNDG-SNVBAGLBSA-N 305.334 1.974 0 40 DDAB Cc1ncc(CNC(=O)c2cc(O)nc(CC(C)C)c2)c(=N)[nH]1 560499453 TYGWFOGEQBBWTJ-UHFFFAOYSA-N 315.377 1.427 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)c3cscn3)C2)cc(=O)[nH]1 72364178 SWEFVFYYUIJVIV-SNVBAGLBSA-N 304.375 1.555 0 40 DDAB CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@](C)(C(=O)O)C1 71979592 IAFDTQBWFLYJHN-HNNXBMFYSA-N 306.318 1.668 0 40 DDAB CCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954401 NDIVSJZWTYWYDR-ZDUSSCGKSA-N 314.407 1.202 0 40 DDAB COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1O 85878397 SBJXYTJZMCFYFY-SNVBAGLBSA-N 301.298 1.839 0 40 DDAB biogenic Cc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1F 42646076 ISROERASUPMILP-UHFFFAOYSA-N 301.321 1.827 0 40 DDAB c1ccc(-n2ncc3c(NCCn4cccn4)ncnc32)nc1 41529557 KIWCZJYEQOZEON-UHFFFAOYSA-N 306.333 1.519 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C(N)=O)cn2)C1 264432462 UONXFKQERLODIV-NSHDSACASA-N 306.366 1.284 0 40 DDAB O=C(/C=C/c1ccco1)NCc1ccnc(N2CCOCC2)n1 224218401 JXUSUUKUAGNSQD-ONEGZZNKSA-N 314.345 1.236 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)CCc1nccs1)C2 328944008 LRJGJHPPRWXDMN-UHFFFAOYSA-N 305.407 1.833 0 40 DDAB Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccncc3)C2)o1 49170486 QWHWFOPPJPIXSR-ZDUSSCGKSA-N 310.361 1.855 0 40 DDAB biogenic,in-vitro COCCn1cc2c(n1)[C@H](CNC(=O)c1ccco1)OCC2 96044296 OSDOLBSYUDTPTI-ZDUSSCGKSA-N 305.334 1.166 0 40 DDAB COCCN1CCC2(CC1)CN(C(=O)c1ccco1)CCO2 96158906 PPCHVIFFNIPNPJ-UHFFFAOYSA-N 308.378 1.233 0 40 DDAB O=C(c1cscn1)N1CCC2(C1)CN(c1ccccn1)C2 96202716 CYFRZXAYUCWBCG-UHFFFAOYSA-N 300.387 1.891 0 40 DDAB COc1cc(N2CCN(c3cc(C)nc(C)n3)CC2)ncn1 162436754 DQWHUNFJWPVHNK-UHFFFAOYSA-N 300.366 1.219 0 40 DDAB COc1ncccc1CN1CCOC[C@]2(CN(C)C[C@H]2C)C1 96202365 ZYMNBTYRABAPOJ-PBHICJAKSA-N 305.422 1.490 0 40 DDAB Cc1cnc(N2C[C@H]3CCN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 96082134 GUFINAYCCXZSOK-TZMCWYRMSA-N 312.377 1.008 0 40 DDAB Cn1nnnc1COc1ccccc1C(=O)N1CCCCCC1 96101392 ORVITSBZWJAFTC-UHFFFAOYSA-N 315.377 1.805 0 40 DDAB CN(C)C[C@H]1CCC2(CN(C(=O)Cc3ccc(F)cc3)C2)OC1 248075677 BRVZBCLCOHOVIX-OAHLLOKOSA-N 320.408 1.937 0 40 DDAB COc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](C)c2nnn[nH]2)c1 252587228 WMEMABXRLRCNBR-LEWSCRJBSA-N 315.377 1.574 0 40 DDAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ncccc1O 257215327 CPPRWTCCHGXSDW-YOEHRIQHSA-N 317.389 1.793 0 40 DDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2cncs2)CCO1 257271962 NAMJYOSYSJICMA-SNVBAGLBSA-N 319.390 1.213 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2ncc[nH]2)n1 257331508 XTDPIUCGMUBCFR-CYBMUJFWSA-N 300.366 1.173 0 40 DDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)CC1=O 252485094 GNLJNODQKBHUQK-ZSAUSMIDSA-N 321.421 1.349 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 257265511 LYYMVHNVWBZJKB-GXTWGEPZSA-N 312.439 1.046 0 40 DDAB CN1CCN(C(=O)c2cnn3cccnc23)C[C@H]1c1ccccc1 257251237 JPZMCKMAGUEHLX-INIZCTEOSA-N 321.384 1.858 0 40 DDAB CC1(C)NC(=O)N(CCCn2ccc3ccsc3c2=O)C1=O 278265376 QXNBDHRQCMBBFL-UHFFFAOYSA-N 319.386 1.784 0 40 DDAB O=C(c1cnccn1)N1CC2(CC[C@H](CN3CCCC3)CO2)C1 575406159 XAJKIHHSAWAOKV-CQSZACIVSA-N 316.405 1.194 0 40 DDAB COC(=O)[C@@H](Cc1ccccc1)NCCO[C@H]1CCCCO1 585142353 UDVOQBDYHMAZKQ-CVEARBPZSA-N 307.390 1.904 0 40 DDAB O=C([C@@H]1CCOC1)N1CCc2ncc(-c3cccnc3)n2CC1 585111130 FROLKYFCWVWIHV-CQSZACIVSA-N 312.373 1.366 0 40 DDAB Cc1cc(NC(=O)CCc2c(C)nc3cc(O)nn3c2C)no1 69771626 TXHFBKMKSFLBIJ-UHFFFAOYSA-N 315.333 1.919 0 40 DDAB CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 71847354 CAKPUPUDPHFLSA-NHYWBVRUSA-N 316.405 1.908 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@@H]1c1ccncc1 47057311 PVBDQOKJDFHIEH-CQSZACIVSA-N 312.377 1.830 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)O[C@H]1CCOC1=O 51834625 QJRPLMJHELBQEF-QMMMGPOBSA-N 305.315 1.381 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@]1(O)CCCc2occc21 1565522205 VJFQWENZUZHRGZ-MRXNPFEDSA-N 303.362 1.584 0 40 DDAB COCCN1CCC(CNC(=O)c2cccc(N(C)C)c2)CC1 38582857 SCPARPPTKRLTSZ-UHFFFAOYSA-N 319.449 1.841 0 40 DDAB CCc1ccc(C(=O)O)cc1NS(=O)(=O)C[C@@H](C)OC 548996083 FOFVSCMBVIUEFS-SECBINFHSA-N 301.364 1.724 0 40 DDAB C[C@H](NCCN1CCCS1(=O)=O)c1ccc(F)cc1F 89520092 NJLDAVDXIFHQGN-JTQLQIEISA-N 304.362 1.651 0 40 DDAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OC 8109963 AEWBWVCPJKSSSK-BAQGIRSFSA-N 309.709 1.459 0 40 DDAB O=C(NOCc1cccnc1)N1CCC[C@H]1Cn1ccnc1 167152839 IHRYQYKUKFXJKA-AWEZNQCLSA-N 301.350 1.584 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(Cc3cscn3)CC2)C1 643913040 NSFOTXYWRWECCA-CYBMUJFWSA-N 309.435 1.793 0 40 DDAB CC(C)CNC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 6111481 UHOGFUDCLONWQP-UHFFFAOYSA-N 305.403 1.719 0 40 DDAB COc1ccc(CNC(=O)CN2CCCCCC2=O)cc1OC 14242469 WKVPBDLFWGGSRV-UHFFFAOYSA-N 320.389 1.723 0 40 DDAB COC(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2 21712239 QQVWCCDXFKMCJN-UHFFFAOYSA-N 311.359 1.915 0 40 DDAB CN1CCCC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1=O 2037985441 JZPQNQVHOFSPBH-KRWDZBQOSA-N 324.421 1.043 0 40 DDAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)N(C)C)OC[C@H]3C2)n1 1565541712 UFUJLAVKDSVBFW-KFWWJZLASA-N 318.421 1.413 0 40 DDAB O=C(N1CCn2c(CNc3nccs3)nnc2C1)C1(F)CC1 1565547095 FJTYDQVGLGZVQQ-UHFFFAOYSA-N 322.369 1.191 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc[nH]c2=O)c1 4386140 PCABLONZALGXGL-UHFFFAOYSA-N 310.331 1.193 0 40 DDAB O=C(CN1CCC(C(=O)NC2CC2)CC1)Nc1ccc(F)cc1 9068267 CQXACCORYAQWLT-UHFFFAOYSA-N 319.380 1.755 0 40 DDAB CS(=O)(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13850305 DIYCFPOBFZZPDV-UHFFFAOYSA-N 324.427 1.979 0 40 DDAB O=C(NCCOCCn1cccn1)c1cccc2c1OCCO2 575619624 KXNMOGOWUCOYQS-UHFFFAOYSA-N 317.345 1.101 0 40 DDAB O=C(NCc1ccc(-c2ccoc2)o1)C(=O)Nc1ccon1 585148001 LXCDKOLOJSOKAL-UHFFFAOYSA-N 301.258 1.783 0 40 DDAB Cc1cc(C)nc(N2CCN(Cc3ccncc3F)CC2)n1 449232820 JEWFOQWZAJMGHX-UHFFFAOYSA-N 301.369 1.950 0 40 DDAB O=C(CCOc1ccccc1Cl)NCC(=O)N1CCCC1 40073969 KZYIVNUEDAREOI-UHFFFAOYSA-N 310.781 1.848 0 40 DDAB Cc1noc(C)c1C(=O)Nc1cccc(NS(C)(=O)=O)c1 31133493 UBSPBEKMQYPPSG-UHFFFAOYSA-N 309.347 1.915 0 40 DDAB Cc1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 40497663 VAXSQSYAMYXFCT-UHFFFAOYSA-N 324.340 1.193 0 40 DDAB Cc1ccc2c(c1)OC(=O)CN2CC(=O)Nc1nccs1 31847094 HPCYHXUCYYWKPA-UHFFFAOYSA-N 303.343 1.816 0 40 DDAB Cc1cccc2sc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@H]43)nc12 32912457 WMUVZSPCQHTYJW-NXEZZACHSA-N 322.411 1.755 0 40 DDAB CNC(=O)c1ccc(NS(=O)(=O)CCOC(C)C)cc1 72306306 YAQKSBGLCSTECZ-UHFFFAOYSA-N 300.380 1.213 0 40 DDAB CCO[C@@H]1C[C@H]1C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 71821291 HZLRXUXIPNTKDI-RBSFLKMASA-N 302.374 1.501 0 40 DDAB CC(C)C(=O)N1CCCN(C(=O)NCc2nccs2)CC1 75970810 BTTAEVZDWYKWMP-UHFFFAOYSA-N 310.423 1.543 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3csnn3)CCO2)n1 76046336 LOULXSIPXCWDGM-SECBINFHSA-N 322.394 1.167 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)OC3CCCC3)CCO2)n1 76045646 SNUBKRBAWWLMBE-GXFFZTMASA-N 308.382 1.361 0 40 DDAB CCOCC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 76023263 IZFKFRRBSJUSOP-RYUDHWBXSA-N 300.399 1.833 0 40 DDAB C[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@H]1N(C)C 76050639 HOZVFPLPCGGVLJ-BXUZGUMPSA-N 319.434 1.410 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)NCc1ccc2c(c1)OCO2 521564 HFZPTMKXJOPHBB-UHFFFAOYSA-N 301.298 1.915 0 40 DDAB Cc1cc(-c2cccc(F)c2)nnc1N1CCO[C@H](C(N)=O)C1 78904457 VBUVLTUBBPDYAN-AWEZNQCLSA-N 316.336 1.282 0 40 DDAB CCOC(=O)c1cc(NC(=O)NCCc2cccnc2)c[nH]1 79105232 MFBVPOHNCKPUAQ-UHFFFAOYSA-N 302.334 1.951 0 40 DDAB O=C(NC[C@@H]1CCOC1)N1CCN(Cc2cccs2)CC1 47068425 JZCRBTDJFDNTGL-ZDUSSCGKSA-N 309.435 1.612 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3F)on2)C1 53894473 HJEPMULRIANHBX-SECBINFHSA-N 303.293 1.428 0 40 DDAB O=C(O)c1ccccc1S(=O)(=O)NNCc1ccccc1 6223189 YIFJOPXJPAZXNO-UHFFFAOYSA-N 306.343 1.368 0 40 DDAB CSC1=Nc2cc3c(cc2C(=O)N2C[C@@H](O)C[C@H]12)OCO3 6485326 JWOZBJCNLXEDAC-OIBJUYFYSA-N 306.343 1.397 0 40 DDAB O=C(NCc1cccnc1-n1cncn1)c1ccc2c(c1)CCO2 47122281 JNCOZILQHZMBEG-UHFFFAOYSA-N 321.340 1.527 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(N=O)CC[C@]314 100498315 NGNCKOKHKZDIHF-GYUMKREUSA-N 314.341 1.553 0 40 DDAB Cn1ncc2c(N3CCC(c4nnc5n4CCC5)CC3)ncnc21 71819383 BXANBGCSYVHIDP-UHFFFAOYSA-N 324.392 1.285 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CN(C)c1ccc(Cl)cn1 71830103 NHPQAAGANOSBNT-QWRGUYRKSA-N 324.812 1.284 0 40 DDAB CC(=O)N1c2ccc(S(=O)(=O)NCC3CC3)cc2C[C@@H]1C 24434312 FXIBBXXLNLGBMC-JTQLQIEISA-N 308.403 1.672 0 40 DDAB CCN(C(=O)[C@H]1C[C@@H]1c1ccc(C)s1)[C@H]1CC(=O)NC1=O 100667167 KJWNQEJNWQRLDL-DCAQKATOSA-N 306.387 1.424 0 40 DDAB CCCCn1nnnc1CNC[C@@H]1CCCN1c1cccnn1 71859862 RYHREFJSFBPWSZ-ZDUSSCGKSA-N 316.413 1.022 0 40 DDAB O=C(Nc1nncs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24716177 UXAJKEJJLPFOOV-LLVKDONJSA-N 318.358 1.908 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cc1cn3ccsc3n1)C2 71871908 TVEAYPLGDDVNKW-UHFFFAOYSA-N 316.390 1.135 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(CC2CC2)CC1 55269020 CFRKYLDVNXCEKD-UHFFFAOYSA-N 320.458 1.892 0 40 DDAB O=C(CN1CCc2cncnc2C1)N1CCO[C@@H]2CCCC[C@H]21 106659680 LCPKQMHMANERQF-HZPDHXFCSA-N 316.405 1.005 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c1C 25299742 VQUPXYVLVJGPAU-INIZCTEOSA-N 322.449 1.808 0 40 DDAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c(O)c1 12567974 DMBPARGPYLNXDT-SECBINFHSA-N 306.318 1.234 0 40 DDAB Cc1nc(CSc2nc(O)c3nn(C)c(C)c3n2)cc(=O)[nH]1 57355752 NZKNVYLGAHFSDJ-UHFFFAOYSA-N 318.362 1.061 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H](C)NC(=O)CC1CCCCC1 71851739 ACDFIMIOCUPTBE-NEPJUHHUSA-N 312.410 1.529 0 40 DDAB O=C(/C=C/c1ccsc1)NCCn1nc2ccccn2c1=O 57239884 FSCDQNOBPSOKDA-SNAWJCMRSA-N 314.370 1.387 0 40 DDAB COCCC(=O)N1CCC(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108118761 KDSDPDAELIETMK-YDHLFZDLSA-N 308.422 1.566 0 40 DDAB O=C1NCCCC[C@@H]1Sc1n[nH]c(=O)n1Cc1ccccc1 11670081 HBDSGGFKMGLOND-LBPRGKRZSA-N 318.402 1.381 0 40 DDAB CCN(CC)C(=O)CNC(=O)NCc1cc2ccccc2[nH]1 58226422 VILLGQPOEJKYMQ-UHFFFAOYSA-N 302.378 1.836 0 40 DDAB C[C@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)N1CCCC1 58268177 TZWHFEGRZAPIEG-VIFPVBQESA-N 318.345 1.254 0 40 DDAB O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cc[nH]n1 48272207 XOTFUEZRYRSKDF-UHFFFAOYSA-N 313.361 1.536 0 40 DDAB COc1ccc2c(=O)c(C(=O)N3C[C@H](C)O[C@H](C)C3)c[nH]c2c1 44936337 VHJQUTWVDYCAAQ-PHIMTYICSA-N 316.357 1.786 0 40 DDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCOCC1 44968793 JCRWGXITNGGNIH-UHFFFAOYSA-N 319.283 1.565 0 40 DDAB Cc1cc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F 44967382 BJIORAZOWMFCSB-GFCCVEGCSA-N 314.382 1.463 0 40 DDAB NC(=O)CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 58342479 CQHBMAWUTICWLR-UHFFFAOYSA-N 313.760 1.112 0 40 DDAB CCCc1nnc(NC(=O)N[C@@H](C)CN2CCOCC2)s1 45977110 GGWPTQFMBAEOQG-JTQLQIEISA-N 313.427 1.333 0 40 DDAB O=C(O)[C@@H]1CCCN(c2cc(N3CCSCC3)ncn2)C1 45948047 PZNCIROBHNSRPL-LLVKDONJSA-N 308.407 1.331 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1cc(C)ccc1F 48367201 FFZKMWYPXWEWJL-UHFFFAOYSA-N 302.371 1.410 0 40 DDAB CN(C)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409385062 HBRUKNFHNMUOJI-VMUDFCTBSA-N 316.357 1.735 0 40 DDAB C[C@H]1C[C@@H]1CNC(=O)NCc1ccnc(N2CCOCC2)c1 48869692 DOLLWHJOEPOLRO-GXTWGEPZSA-N 304.394 1.373 0 40 DDAB O=C(O)COc1ccc(/C=C2/C(=O)N=C(O)N=C2O)cc1Cl 9014315 VAGJVAMGYHYAPQ-UHFFFAOYSA-N 324.676 1.598 0 40 DDAB COC(=O)CCN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 9114289 AHUGXPKRWZHCMG-QGZVFWFLSA-N 316.357 1.723 0 40 DDAB NC(=O)[C@@H](OC(=O)CN1CCCCCC1=O)c1ccc(F)cc1 14050672 WLHWENKRLYOENQ-HNNXBMFYSA-N 322.336 1.298 0 40 DDAB COc1cc(CNC[C@H]2CN(C)CCO2)c2c(c1)C[C@@H](C)O2 65615074 NZOVAIAKNRYKNW-WBMJQRKESA-N 306.406 1.439 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccc(OC)cc2[nH]1 6657615 IEYZMEJBPOXSDX-QMMMGPOBSA-N 322.390 1.898 0 40 DDAB CNC(=O)NC(=O)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 7507493 CWZSCPIDWWPXJJ-ZDUSSCGKSA-N 317.370 1.609 0 40 DDAB Cc1cc(C)n(CCCNC(=O)c2ccc(-n3cncn3)cc2)n1 7989414 IKTITNFVAKEOBQ-UHFFFAOYSA-N 324.388 1.901 0 40 DDAB CCOc1ccc(OCCNC(=O)COC(=O)C2CCC2)cc1 8069493 GTCOAUUJRSXRMQ-UHFFFAOYSA-N 321.373 1.924 0 40 DDAB COc1ccccc1[C@H]1CCCN1CC(=O)N1CCNC1=O 69086470 GMCXKRBRTISLTM-CYBMUJFWSA-N 303.362 1.384 0 40 DDAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1 8259462 CMLDWMPJBCMUMB-VIFPVBQESA-N 305.290 1.698 0 40 DDAB Cc1nn(C)c(Cl)c1CNCC1CCN(C[C@H](C)O)CC1 69349941 YBJVKTNPDXLAJM-NSHDSACASA-N 314.861 1.564 0 40 DDAB 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O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccnc1 40498772 GRDFUOAXROCXNI-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB O=C1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCN1 40553373 CRCNXKJXLIZECB-UHFFFAOYSA-N 304.737 1.098 0 40 DDAB COc1cccc([C@@]2(C)SC(NC(C)=O)=NN2C(C)=O)c1 201318 IPKYWEBWGFAQSW-CQSZACIVSA-N 307.375 1.870 0 40 DDAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 101508951 FMHZTEAQMFBNSQ-ZBFHGGJFSA-N 322.320 1.988 0 40 DDAB O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccccc2F)C1 21214311 LGVMRZROLDWUIV-QMMMGPOBSA-N 306.322 1.669 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 32859566 HKIOJSAAWHEFLI-UHFFFAOYSA-N 317.389 1.722 0 40 DDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC[C@H]1CCCO1 41231947 PGNXXNBZNQRJGX-CYBMUJFWSA-N 319.357 1.716 0 40 DDAB CC(=O)N[C@H](CC(=O)NC[C@H]1CCOC1)c1ccc(C)cc1 41369980 XPQPZVSLKJXSMN-GDBMZVCRSA-N 304.390 1.715 0 40 DDAB C[C@H]1CC(NCCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 97034844 IWMWDJMDAIADPJ-RYUDHWBXSA-N 304.456 1.252 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)n1 76046338 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O=C(O)C1=C(C(=O)O)[C@@H]2CCC[C@H]3[C@@H]4CCCC[C@@H]4N(N1)[C@@H]23 4972543 CLKXBYLUFNZMKH-MMROJZCPSA-N 306.362 1.587 0 40 DDAB CC(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 7387762 GHHYHTVFNWWLLD-UHFFFAOYSA-N 315.295 1.856 0 40 DDAB CCc1ccc([C@H](C)NC(=O)CN2CCN(CCO)CC2)cc1 22943338 KHPBVSDIXXXFPZ-HNNXBMFYSA-N 319.449 1.036 0 40 DDAB C[C@@H](NC(=O)CCn1cccn1)c1ccc2c(c1)NC(=O)CO2 47638697 TYIKIOVQUXCOHH-LLVKDONJSA-N 314.345 1.482 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)C1=COCCC1 97081802 AHKRKZCLTDDZJH-KRWDZBQOSA-N 316.401 1.564 0 40 DDAB Cc1cc(=O)n2nc(NC(=O)c3cccc(Cl)c3)nc2[nH]1 101809722 WBJNAJKAUMUOCH-UHFFFAOYSA-N 303.709 1.632 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@H]3C2=O)cc1 101250222 CNSQTPWCHATLQE-HIFRSBDPSA-N 307.309 1.683 0 40 DDAB CCOC(=O)c1s/c(=N/C(=O)c2cc(C)no2)n(C)c1C 101315227 MCPYURFBURQFOQ-BUHFOSPRSA-N 309.347 1.609 0 40 DDAB Cn1ccnc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 107195640 DRIVQEPGTVELJS-CRAIPNDOSA-N 310.401 1.526 0 40 DDAB Cc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 58014527 YDZTWAZVLUNOJR-ZDUSSCGKSA-N 311.407 1.541 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(N2CCCC2)nn1 72232612 BEQNMDWDKNRJNF-GFCCVEGCSA-N 312.377 1.018 0 40 DDAB NC(=O)C1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 48172516 IOMZNSDKMQXMIX-UHFFFAOYSA-N 317.393 1.411 0 40 DDAB COC(=O)C12[C@@H]3C4C5[C@@H]1[C@@H]1C[C@@H]1[C@@H]5C2(C(=O)OC)[C@@H]4[C@H]1C[C@@H]13 104290573 RPBCQCIBCIGBRS-LZVHNHTMSA-N 300.354 1.343 0 40 DDAB O=C(NCCNc1cnccn1)Nc1ccn(-c2ccccc2)n1 48252600 KWJZSQCWYJSIAR-UHFFFAOYSA-N 323.360 1.896 0 40 DDAB CC(=O)N1CCCN(Cc2nc(Cc3ccccc3)no2)CC1 44937626 AOIJOOCTSFNDKR-UHFFFAOYSA-N 314.389 1.715 0 40 DDAB Cc1cc(CN(C)C(=O)NCCN2CCCCCC2=O)no1 44971559 NRWMNYZETGHIEZ-UHFFFAOYSA-N 308.382 1.527 0 40 DDAB CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@@H]1CCCO1)c1cccs1 27888075 ADUCFPRXFRHHEQ-UHTWSYAYSA-N 310.419 1.999 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1Cc2cc(Cl)ccc2O1 97197952 PYWYCUMPFVMVIB-GXTWGEPZSA-N 317.776 1.971 0 40 DDAB CCN(CC(=O)O)C(=O)COc1cccc(N2CCCC2=O)c1 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CC(=O)c1c(SCC(=O)NCCC(C)C)nc(=O)[nH]c1C 14148920 PUQDGKMREAHTNF-UHFFFAOYSA-N 311.407 1.535 0 40 DDAB COCCN1CC[C@H](CNC(=O)CCOCc2ccccc2)C1 65626163 PMBDETQCUZASBP-QGZVFWFLSA-N 320.433 1.678 0 40 DDAB COc1ccc(S(=O)(=O)NC(=O)CC(C)(C)C)cc1OC 65611077 SYPBOWGRTMXWSJ-UHFFFAOYSA-N 315.391 1.945 0 40 DDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCCCC3)nc2c1 6505444 HZEQFEGJFIBHAC-UHFFFAOYSA-N 301.346 1.696 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CCOC1 96007705 JNZFMXSIGJKQCE-BDAKNGLRSA-N 324.324 1.804 0 40 DDAB Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c1 27976086 IKBWCUDWRHUIAS-GFCCVEGCSA-N 324.344 1.772 0 40 DDAB CN(C)C(=O)CNC(=O)c1ccc(Br)cc1F 7243426 APJBOVONSLAPHK-UHFFFAOYSA-N 303.131 1.406 0 40 DDAB CCCOc1ccc(N2C(=O)C[C@@H](NCCCO)C2=O)cc1 19830961 VQBCGGUTKXQHKH-CQSZACIVSA-N 306.362 1.079 0 40 DDAB O[C@@H](COCc1ccccc1)Cn1ccnc1-c1cnccn1 95438692 QRXSTYPNSKNDCY-OAHLLOKOSA-N 310.357 1.918 0 40 DDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-n2cnnc2)c1 16400030 JVASBYPKJVHYKA-UHFFFAOYSA-N 320.312 1.689 0 40 DDAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCC[C@H](O)C1 69186975 LJJJTHJPEJWYBK-HNNXBMFYSA-N 300.362 1.920 0 40 DDAB O=C(c1ccccn1)N1CCCN(CC2(O)CCCCC2)CC1 71825125 JHYRJOMEBSJGBM-UHFFFAOYSA-N 317.433 1.925 0 40 DDAB CC(=O)N[C@@](C)(C(=O)N1CCC[C@@H]1Cn1cc(C)cn1)C1CC1 70038915 CQSIAHBRXLYPAO-NVXWUHKLSA-N 318.421 1.487 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1 71825606 HEQMAEXDZRTYEM-ZDUSSCGKSA-N 302.378 1.918 0 40 DDAB CC1(C)Cc2cccc(OCC(=O)N3CCNC(=O)CC3)c2O1 71839429 KGKBKOVAPFBZCL-UHFFFAOYSA-N 318.373 1.127 0 40 DDAB O=C1CNC(=O)N1CCN[C@@H]1CCCC[C@H]1Cc1ccccc1 119016957 FFWCEXXBWZHEOQ-JKSUJKDBSA-N 315.417 1.929 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CC1 71837311 OWMDJGWLSUYLJU-GJZGRUSLSA-N 319.380 1.979 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCc2c(C)nn(CCO)c2C)c1 69455061 ATFLHHAUVOHSCA-GXTWGEPZSA-N 305.426 1.736 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H](C(C)C)N1CCCCC1)C2 69510816 HDQVJRHTXNQOQV-OAHLLOKOSA-N 305.426 1.439 0 40 DDAB CN(CC(=O)N1CCCC[C@@H]1Cc1ccccc1)S(C)(=O)=O 69517049 WSLNKKAEMAZLKE-OAHLLOKOSA-N 324.446 1.502 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@H](C)O1 17325479 CIKZUXXQZKUZAD-RYUDHWBXSA-N 311.403 1.481 0 40 DDAB O=C(CN1CC=C(c2ccc(O)cc2)CC1)NC[C@H]1CCCO1 69777590 XPNCWFWYVWMRAE-QGZVFWFLSA-N 316.401 1.777 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 69870009 QMQGDAVLONQYDR-AWEZNQCLSA-N 318.417 1.614 0 40 DDAB CCNC(=O)c1ccc(N[C@H]2CCCc3c2cnn3C)nn1 95410482 SELMZCAPVRWPTK-NSHDSACASA-N 300.366 1.449 0 40 DDAB Cc1nn(C)c2nc3c(c(C(=O)NC[C@H]4CCCO4)c12)CCC3 95473828 FOZSSCURQQWIQN-LLVKDONJSA-N 314.389 1.674 0 40 DDAB CN1CCCN(C(=O)CCS(C)(=O)=O)c2cc(F)ccc21 97998529 DXUVRMCQKOPGTG-UHFFFAOYSA-N 314.382 1.433 0 40 DDAB CC(C)[C@H](O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 95977356 OWDXESXBUSXBOF-HZPDHXFCSA-N 318.417 1.701 0 40 DDAB CCc1cccc(CC)c1S(=O)(=O)NCCCNC(C)=O 95960471 YATUQNQTACNEOY-UHFFFAOYSA-N 312.435 1.616 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=O)C2(O)CCSCC2)C1 95979262 SZELYCWREVAVAU-LBPRGKRZSA-N 314.451 1.009 0 40 DDAB CCC(=O)N1CCCN(C(=O)c2ccc3c(c2)ncn3C)CC1 75032334 HONOMEAOGSXNGC-UHFFFAOYSA-N 314.389 1.658 0 40 DDAB C[C@@H](CNC(=O)NCCCN1CCCC1)CC1(C)OCCO1 89895203 MNIKWJMIHRAMAU-CQSZACIVSA-N 313.442 1.561 0 40 DDAB CCOc1ncccc1C(=O)NCC1CCN(CCOC)CC1 89988789 FEQXOWMWNZAHRL-UHFFFAOYSA-N 321.421 1.569 0 40 DDAB CSc1cccc(-n2c(=O)[nH]c(C)c(CC(=O)O)c2=O)c1 20156508 DNJMCTSEBBIACU-UHFFFAOYSA-N 306.343 1.183 0 40 DDAB CN1CCC2(CC1)CCN(c1ncnc3nc(N)ccc13)CC2 1548471812 BLQLUYWSYRNYCH-UHFFFAOYSA-N 312.421 1.919 0 40 DDAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)[C@@]1(CO)C=C[C@H]2O1 409335128 NWLHCBNOTUGXPA-BLTAXRJOSA-N 305.717 1.145 0 40 DDAB O=C(N1CC2(C1)OCC[C@@H]2COCc1ccncc1)C1(F)CC1 306127204 FRQPMSJSUPOWJL-CQSZACIVSA-N 320.364 1.718 0 40 DDAB Nc1ccc(-c2nnn(CC(=O)NCCc3ccccc3)n2)cc1 35313178 WHTMQEOMHWRQQU-UHFFFAOYSA-N 322.372 1.281 0 40 DDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1F 78986866 YMZZOMUAVHHZAF-VIFPVBQESA-N 322.233 1.858 0 40 DDAB CN1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 32508601 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40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)C[C@H](C)O1 11560645 VQAGCOJOIOBGFF-STQMWFEESA-N 300.362 1.576 0 40 DDAB C[C@H]1COCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 46254981 WOVJMGNKPXHOEJ-GXTWGEPZSA-N 302.374 1.825 0 40 DDAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc2c(c1)NC(=O)CO2 46385530 INIXAGMELINJCI-SECBINFHSA-N 313.313 1.197 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N[C@H](C)c1ccccc1 12796386 NPHDFXNKMZAONS-NEPJUHHUSA-N 305.330 1.684 0 40 DDAB Cc1cc(COC(=O)CCn2cnc3sccc3c2=O)no1 12879553 FLYATSIBZVNCAE-UHFFFAOYSA-N 319.342 1.888 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 3452238 KHZHOIWROKSMSF-UHFFFAOYSA-N 318.354 1.571 0 40 DDAB c1ccc(-n2cnc(CN3CCCC[C@@H]3C3OCCO3)n2)cc1 92795947 GUGJKCCRRLBDGH-OAHLLOKOSA-N 314.389 1.995 0 40 DDAB CCc1ccccc1N1C[C@@H](/C(O)=N/S(C)(=O)=O)CC1=O 48479754 RBSSORFQZNWQMZ-NSHDSACASA-N 310.375 1.518 0 40 DDAB O=C(COC(=O)C1=COCCO1)Nc1ccc2c(c1)CCC2 3536380 NNFYTTUVSYNYPH-UHFFFAOYSA-N 303.314 1.545 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)NCc2ccco2)c1 13042557 CCKZRBCTPXMEDX-UHFFFAOYSA-N 304.302 1.082 0 40 DDAB CCOc1ncccc1C(=O)N1CCC[C@H](c2nncn2C)C1 65452273 OLFGTNCIJGUYMP-LBPRGKRZSA-N 315.377 1.629 0 40 DDAB COCCN1CCCN(C(=O)NCc2nc(C)cs2)CC1 65423923 OOJWMYOLVNZCRG-UHFFFAOYSA-N 312.439 1.315 0 40 DDAB CC(=O)N1CCC(NC(=O)CN2CCOc3ccccc32)CC1 65411671 RMOPPMRTXHTNIP-UHFFFAOYSA-N 317.389 1.013 0 40 DDAB CCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1 5391353 XYBOXKBISRSOSO-UHFFFAOYSA-N 316.313 1.659 0 40 DDAB NC(=O)NC(=O)COc1ccccc1C(=O)Nc1ccccc1 6460996 IQEROOOOYZEBQS-UHFFFAOYSA-N 313.313 1.513 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ncccn3n2)C1 14159588 ADTXXWCOWLVGPF-PHIMTYICSA-N 305.407 1.721 0 40 DDAB COc1ccc(OCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 14706608 DWKGRAYFGXVNOC-MRXNPFEDSA-N 314.341 1.417 0 40 DDAB O=C1NCCNC12CCN(c1ccc(-c3ccccc3)nn1)CC2 67643750 IFIAAKLCRPWEHF-UHFFFAOYSA-N 323.400 1.202 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCC(NC(=O)c2ccc[nH]2)CC1 68819897 GJSCYJWUMYSVGX-LBPRGKRZSA-N 306.410 1.122 0 40 DDAB CCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1OC 16733097 UZHOGJDWEFTYML-GHXNOFRVSA-N 303.343 1.106 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N(C1=CCCCC1)C1CC1)C2 69461697 MJGBMYFMKFEPKI-UHFFFAOYSA-N 315.421 1.851 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(SC)cc1 69617002 KRLIMIRZCIFMJD-LLVKDONJSA-N 320.374 1.561 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 69894598 PZVGTDJFPAFJCK-OLZOCXBDSA-N 321.446 1.936 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CN2CSCC2=O)n1 71870058 RYFFZLNFOXUDTO-ZDUSSCGKSA-N 322.434 1.024 0 40 DDAB CCCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 8715970 VSQIFLUGHSDSJF-SECBINFHSA-N 322.386 1.802 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)c1 71875835 MZGJKYRLDHUEQK-KBPBESRZSA-N 314.393 1.473 0 40 DDAB C[C@H](C(=O)NCc1ccco1)N1CCC[C@@H]1Cn1cccn1 71878622 TXTCSAGYDHUVHM-ZIAGYGMSSA-N 302.378 1.645 0 40 DDAB CCCC[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)OC 71922110 MZANMYHLCXRLHU-ZCFIWIBFSA-N 312.317 1.835 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)OCc2cccnc2)c1 96982812 YOOZVAZQPVWKLY-UHFFFAOYSA-N 306.343 1.347 0 40 DDAB O=S(=O)(NCC1(CO)CC1)c1ccc(C(F)(F)F)nc1 97082787 KGPUKAOFQWJMMA-UHFFFAOYSA-N 310.297 1.151 0 40 DDAB O=C(COc1cccc(F)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269375 FMAJKOKMIKIIHV-HOTGVXAUSA-N 322.380 1.262 0 40 DDAB Cc1nnnn1-c1cc(NC(=O)NC[C@@H]2CCCO2)ccc1F 69716732 DWDRYTLSTPXJJT-NSHDSACASA-N 320.328 1.410 0 40 DDAB Cc1nc2n(n1)C[C@@H](NC[C@H](O)COCc1cccs1)CC2 72254063 YOUAROJQFWSWLE-STQMWFEESA-N 322.434 1.130 0 40 DDAB C[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)O1 97107298 CYJNURXNBYILLB-SWLSCSKDSA-N 323.824 1.947 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1N1CCOCC1 84735613 IQCLRQFMPZQFAF-FVQBIDKESA-N 310.438 1.371 0 40 DDAB C[C@H]1CN(CCNc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1 97994992 CXXZDEPAPRXNNH-RYUDHWBXSA-N 302.378 1.444 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)NCC2(O)CCC2)CC1=O 73875218 KQWGXHWYSCRKNR-AWEZNQCLSA-N 316.401 1.633 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1CCN1C(=O)CNC1=O 88562538 TXQOOSTWSMBVBF-AWEZNQCLSA-N 316.405 1.269 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 74220043 HBEHBBVRSRDKES-YNEHKIRRSA-N 300.424 1.417 0 40 DDAB CN1CCN(C2CCN(CCOCC(F)(F)F)CC2)C1=O 75131551 KNLNYIQTSDRXFX-UHFFFAOYSA-N 309.332 1.397 0 40 DDAB CC(C)c1nncn1CCNc1ccccc1S(C)(=O)=O 89893821 UOSDBSMJOPAOFE-UHFFFAOYSA-N 308.407 1.917 0 40 DDAB CN(C)CCCCC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 552549627 QROZAQBZFWFQBJ-HNNXBMFYSA-N 309.454 1.483 0 40 DDAB O=C(c1cocn1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1 306131358 KCJPBDHHCUPWCB-ZDUSSCGKSA-N 315.377 1.239 0 40 DDAB O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CCCC1 408974758 DLMPNYSKLOTNQQ-UHFFFAOYSA-N 322.324 1.513 0 40 DDAB Cc1nc(N)cc([C@@H]2CN(C(=O)c3cscn3)CCO2)n1 72387823 DWVBLCSPGVEKBY-NSHDSACASA-N 305.363 1.037 0 40 DDAB Cc1nc(NCC(=O)N2CCCCC2)cc([C@@H]2CCCN2)n1 72365285 ODYISMKNJLIFQH-ZDUSSCGKSA-N 303.410 1.634 0 40 DDAB O=C(NC[C@H](O)C1CCOCC1)c1nccc2ccccc12 77049929 UPWUQXDWLWODHB-HNNXBMFYSA-N 300.358 1.752 0 40 DDAB O=S(=O)(O)c1ncc(Br)cc1Br 71255599 RTQRTISCNCOXMO-UHFFFAOYSA-N 316.958 1.853 0 40 DDAB Cc1nc(NCc2snnc2C)cc([C@H]2COCCN2)n1 72366237 NQOKPIMLDIKURD-LLVKDONJSA-N 306.395 1.218 0 40 DDAB CN1CCC[C@H](Cc2cncc(C(=O)N3CCOCC3)c2)C1 72387022 UJGMPOMADHIWTF-CQSZACIVSA-N 303.406 1.438 0 40 DDAB Cc1nnc([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)o1 49170727 ISMVCNWOOOCJOD-NSHDSACASA-N 301.302 1.736 0 40 DDAB biogenic,in-vitro O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccoc1 225771416 VEROEBSJOSVKTF-UHFFFAOYSA-N 318.304 1.570 0 40 DDAB COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cc1c(C)nn(C)c1C 225526638 OFFRLVRMNZKNHG-IOASZLSFSA-N 319.405 1.380 0 40 DDAB CCCCC(=O)Nc1cccc(N2C[C@@H](C(N)=O)CC2=O)c1 45953996 JIJKDLWBWWYEON-NSHDSACASA-N 303.362 1.654 0 40 DDAB CN(C[C@@H]1Cc2ccccc2CO1)S(=O)(=O)c1cccnc1 225790180 UESOYMGTBVFNKO-HNNXBMFYSA-N 318.398 1.844 0 40 DDAB CCS[C@H]1CCCC[C@@H]1NCc1cc(=O)n(C)c(=O)n1C 195577395 QMTZQQPSNVDVJM-STQMWFEESA-N 311.451 1.238 0 40 DDAB O=C(CN1CC[C@H](CNc2ccccn2)C1)Nc1nccs1 97200630 JVCJQUDXOPSCLT-GFCCVEGCSA-N 317.418 1.911 0 40 DDAB CC(C)(C)c1cc(NC(=O)CNC(=O)c2ccccn2)[nH]n1 96417836 RCIKWFGUBKQYNC-UHFFFAOYSA-N 301.350 1.471 0 40 DDAB CN(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cn1 96404503 JWAHTUSADRASLC-UHFFFAOYSA-N 319.386 1.883 0 40 DDAB O=C(NC1CC1)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192193 UFOVFZNVURNURU-QMMMGPOBSA-N 316.283 1.077 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(F)c2)C1 96419151 RROPQURPLINPIX-ZIAGYGMSSA-N 313.394 1.840 0 40 DDAB c1cncc(CN2CCO[C@@H]3CN(C4CCOCC4)C[C@@H]3C2)c1 96108133 HUVPASFXCSKAOZ-FUHWJXTLSA-N 317.433 1.393 0 40 DDAB CN1C(=O)CCC12CCN(S(=O)(=O)c1ccccc1)CC2 96228006 GCALJOIKYZGUNI-UHFFFAOYSA-N 308.403 1.462 0 40 DDAB C[C@@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1C 248107213 GDAFISQZJKIQFK-LLVKDONJSA-N 304.419 1.924 0 40 DDAB Cc1cc(N2CC3(CCOCC3)OC2=O)nc([C@@H]2CCCN2)n1 257234240 GSSBLSONVWZVMP-LBPRGKRZSA-N 318.377 1.715 0 40 DDAB CNc1cncc(C[C@@H]2COCCN(C3CCOCC3)C2)n1 257264395 LUEASNKMWMQSRO-ZDUSSCGKSA-N 306.410 1.188 0 40 DDAB O=C(CCC(=O)OCc1ccccc1)NCCc1cnc[nH]1 526059769 ULFFXNLTXCUWGO-UHFFFAOYSA-N 301.346 1.592 0 40 DDAB Cc1ccc(Nc2nccc([C@H]3CCN(C(=O)CO)C3)n2)nc1 257201989 AJZLLCSGHARIJJ-LBPRGKRZSA-N 313.361 1.232 0 40 DDAB CNc1ncccc1CN1CCOC[C@H](Cc2ccncn2)C1 257330579 XOZCQWIBSABEBK-CQSZACIVSA-N 313.405 1.604 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1c2ccccc2C[C@@H]1O 267058367 GJQDWKXAUATTOQ-QFBILLFUSA-N 309.365 1.939 0 40 DDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)CCc2ccccc2)C1 585278811 VQUFWXACELWXBU-SFHVURJKSA-N 318.417 1.499 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@@H]21 585108999 LUOKLQDDNPBEPZ-QLFBSQMISA-N 320.364 1.580 0 40 DDAB Cc1cn2nc(NC[C@H]3CCc4nnc(C)n4C3)sc2n1 69739569 QIJAEMKRKMXKJB-SNVBAGLBSA-N 303.395 1.674 0 40 DDAB O=C([C@@H]1CN(C(=O)C2CC2)c2ccccc2O1)N1CCOCC1 70721937 UMCZPJNUICKQRT-HNNXBMFYSA-N 316.357 1.049 0 40 DDAB CCCCS(=O)(=O)NCCNC(=O)c1ccccc1Cl 48905007 FFQYUINYCPLCOZ-UHFFFAOYSA-N 318.826 1.789 0 40 DDAB CC(C)N1C(=O)C[C@H]2[C@H](CNC3CCN(C)CC3)[C@@H](C)C[C@H]21 1775964445 VQYUGPLGNMAPPK-QMCVQRASSA-N 307.482 1.952 0 40 DDAB biogenic,in-vitro CCc1cnc(OC2CCN(C(=O)C[C@H]3CCCO3)CC2)nc1 1776001862 OMJRITDYCNYRBJ-OAHLLOKOSA-N 319.405 1.978 0 40 DDAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2cccs2)C1 96122020 VVNXWIWOHZPODL-UHFFFAOYSA-N 323.461 1.192 0 40 DDAB Cn1cc([C@](C)(O)CNC2CCN(c3nccs3)CC2)cn1 97081051 JOEMQGDOTLXGOQ-OAHLLOKOSA-N 321.450 1.343 0 40 DDAB C[C@H](CS(=O)(=O)N[C@H](C)Cn1cncn1)c1ccccc1 79095661 KTVRJFKXUDFYHC-CHWSQXEVSA-N 308.407 1.390 0 40 DDAB O=C([C@H]1CCCN(c2ccncc2Cl)C1)N1CCOCC1 301558677 HXNNKHWEWLGMTM-LBPRGKRZSA-N 309.797 1.810 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@@H](O)c1cc(C)oc1C 85561289 MQZDUEWYZHJXLX-CYBMUJFWSA-N 307.350 1.492 0 40 DDAB CCn1c(S[C@@H](C)C(=O)OC)nc2c(c1=O)S[C@@H](C)C2 250317 DYKNZIPFCUGFRI-YUMQZZPRSA-N 314.432 1.954 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 5953887 UVYYIIZKCYCXCY-LLVKDONJSA-N 314.407 1.376 0 40 DDAB COc1cccc(-c2cc(CC(=O)NCCN(C)C)no2)c1 13574205 JLZDBLMTPTUJLL-UHFFFAOYSA-N 303.362 1.571 0 40 DDAB CC(C)Cc1nc2n(n1)[C@H](C(=O)NCc1ccco1)CC(=O)N2 17054234 PLVDFHXPUJVYSD-NSHDSACASA-N 317.349 1.269 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19495820 AIKRZOUVQRHWNY-ATGSNQNLSA-N 323.400 1.942 0 40 DDAB C[C@@H](NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1)C1CC1 19749437 HMPOWIYXJKKSTJ-LLVKDONJSA-N 313.361 1.445 0 40 DDAB Cc1ccsc1CCC(=O)N1CC(N2C(=O)CCC2=O)C1 238851784 JLNXQONXHIRYCL-UHFFFAOYSA-N 306.387 1.349 0 40 DDAB CC(C)NC(=O)[C@@H]1[C@H](C(=O)O)[C@]1(C)C(=O)c1ccccc1N 19450024 HZGJHRFCRXENFD-HWWQOWPSSA-N 304.346 1.313 0 40 DDAB C[C@H](Oc1ccccc1F)C(=O)NC1CN(c2ccccn2)C1 1888863715 ZYNZBVKKCJPZFF-LBPRGKRZSA-N 315.348 1.993 0 40 DDAB Cc1cnc(C)c(OC2CCN(CC(=O)NC3CC3)CC2)n1 2087045425 OBJMTITYIMRKCJ-UHFFFAOYSA-N 304.394 1.215 0 40 DDAB O=C(NC1CC1)c1ccc2n1CCN(C(=O)C1(F)CC1)CC2 1565547980 ZQVKVGWEPMVNGU-UHFFFAOYSA-N 305.353 1.267 0 40 DDAB CCOC(=O)c1c(S[C@H](CC)C(=O)O)nc(=O)[nH]c1C 5251657 SOICTTLVILTTID-SSDOTTSWSA-N 300.336 1.210 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](NCc1ccncc1)CC2 2055745506 FHFFSLXWNDYQQQ-ZDUSSCGKSA-N 314.389 1.855 0 40 DDAB O=C(NCc1cn(Cc2ccccc2)nn1)c1csnn1 1775967995 IECNGCUPTZQHIG-UHFFFAOYSA-N 300.347 1.108 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@H]1COC2(CCCCC2)O1 38936606 ILAGBHHICVAIEQ-LLVKDONJSA-N 309.366 1.234 0 40 DDAB Cc1cnnn1C[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccco1 503788814 MXKSDDDDRZCLNT-YDHLFZDLSA-N 316.361 1.499 0 40 DDAB O=C(C1CCN(Cc2ccccn2)CC1)N1CCSCC1 2298187957 ZXVQVKSOLFEATL-UHFFFAOYSA-N 305.447 1.869 0 40 DDAB COc1ccc2[nH]c(=O)c(CNC[C@@H]3COCCO3)cc2c1 19563538 VQSONHBAQXPUNG-CQSZACIVSA-N 304.346 1.042 0 40 DDAB COc1ccccc1OCCNc1cnn(C)c(=O)c1Cl 30621436 VQGZARDENGTZSG-UHFFFAOYSA-N 309.753 1.933 0 40 DDAB CN(C)c1ccc(C(=O)NCc2cccnc2-n2cccn2)cn1 31226765 OBAKHJSPULBLCC-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB COCC(=O)NC1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 40540209 VWFKTAPORQTWBZ-NSHDSACASA-N 324.425 1.655 0 40 DDAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)c2ccccc2F)no1 40489864 CSXDYSAHGRVKTI-VIFPVBQESA-N 312.322 1.923 0 40 DDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccnn1CC 20607200 AUGIRZWLODRVCX-GFCCVEGCSA-N 302.338 1.347 0 40 DDAB Cn1c(S)nc(=O)c2c(C(=O)O)cc(-c3ccco3)nc21 20615582 UTIQFBZAYOFYNV-UHFFFAOYSA-N 303.299 1.575 0 40 DDAB O[C@H](CN1CCN(c2cnccn2)CC1)c1c(F)cccc1F 51650546 KJEJIWMRXNKDLL-CQSZACIVSA-N 320.343 1.610 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)ccc2F)c[nH]1 21055340 FBZBDDHWMNIVFN-UHFFFAOYSA-N 302.258 1.792 0 40 DDAB COc1cc(-c2nnc3n2C(=O)CS3)cc(OC)c1OC 383387 ZAULTCSKLCQQJB-UHFFFAOYSA-N 307.331 1.717 0 40 DDAB CCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccco2)[nH]n1 32719237 VXVGOTYLUFHSKD-UHFFFAOYSA-N 304.350 1.610 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)c(C)c1 202849 GEZRLQMCDUFHNR-UKRRQHHQSA-N 320.389 1.854 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)NCc1cccnc1 425469 XTXFIYDRCZSABC-UHFFFAOYSA-N 323.356 1.283 0 40 DDAB CCn1cc(-n2c(=S)[nH]c3ccccc3c2=O)c(C(N)=O)n1 2792316 RPXIHZKBNLSDNS-UHFFFAOYSA-N 315.358 1.364 0 40 DDAB CC(=O)c1csc(NC(=O)CCNC(=O)C2CCCC2)n1 33160983 TYGSBNMTUXFNJE-UHFFFAOYSA-N 309.391 1.981 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(C)n[nH]3)CCO2)n1 76045977 LVCTWGBTFUADCD-LLVKDONJSA-N 304.354 1.002 0 40 DDAB CN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[C@H]3O)cc2C1=O 77151368 LWRMFWGTXRZQNV-SMDDNHRTSA-N 316.357 1.193 0 40 DDAB COCc1nc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)cs1 78892480 WZWMBAPOPNWODS-LLVKDONJSA-N 309.395 1.290 0 40 DDAB CO[C@@H]1CCC[C@@H]1OC(=O)CCn1cnc2ccccc2c1=O 78985776 HCWQLVOEEQMJGW-CABCVRRESA-N 316.357 1.897 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 41686903 ZOLYUHISVXMXQU-ZIAGYGMSSA-N 309.410 1.209 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1C)OCO2 6594682 QFESYNATYLNHKZ-AWEZNQCLSA-N 318.329 1.915 0 40 DDAB CCOC(=O)C1=C(N)Oc2ccccc2N2C(=O)CS[C@@H]12 6655403 HZMIGBOWNNBUGC-ZDUSSCGKSA-N 306.343 1.218 0 40 DDAB CNC(=O)C1CCN(c2nc(Cl)c(C(=O)OC)s2)CC1 47255470 JIURLSPEZXLUQK-UHFFFAOYSA-N 317.798 1.546 0 40 DDAB O=C1C[C@@H](c2ccccc2)N(C(=O)Nc2nncs2)CCN1 53732888 MUHBWBIVSYNDJQ-NSHDSACASA-N 317.374 1.633 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCCOC1CCCC1 61524485 NZQFGAGPBQYDIT-UHFFFAOYSA-N 319.361 1.904 0 40 DDAB COc1ccc2cc(C(=O)NCCNC(C)=O)c(C)nc2c1 22759375 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CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(F)cc2)C1 58049224 WIWDMQGXOXTHOV-LBPRGKRZSA-N 315.370 1.371 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 102332267 OABOSBXICQEOPN-FQUUOJAGSA-N 305.330 1.902 0 40 DDAB C[C@@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC(C)(C)C 27035574 JZHPHHZHCWLXSM-GHMZBOCLSA-N 319.405 1.971 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)cc1OC 44556601 DUZXDKJVHHKVLR-LLVKDONJSA-N 314.407 1.206 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cccn1 44911019 ANJBHELFKMWQPO-IUODEOHRSA-N 301.346 1.618 0 40 DDAB CNC(=O)NC(=O)CCN(CCCc1ccccc1)CCOC 58419729 YCSBMEYNSZVOGL-UHFFFAOYSA-N 321.421 1.413 0 40 DDAB O=C1CCC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)=NN1 65476181 IUBHBWQGDUAYIV-LBPRGKRZSA-N 320.418 1.267 0 40 DDAB CC(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 22259228 FOBKJKJRGIIHQR-UHFFFAOYSA-N 312.435 1.421 0 40 DDAB O=C1C=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1CCO 11027677 CDGMEHFUGPGGQF-UHFFFAOYSA-N 300.236 1.362 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)[C@H](C)CO1 45448238 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Cc1ccc2[nH]cc(C(=O)N[C@H]3CC(=O)N(C(C)C)C3=O)c2c1 96003086 QZECAXBZAVEXET-AWEZNQCLSA-N 313.357 1.742 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2[nH]nnc2c1 8134839 RFGZWQIODSKNRJ-UHFFFAOYSA-N 324.340 1.702 0 40 DDAB C[C@H](Cn1cccn1)C(=O)N1CCCN(c2cccnn2)CC1 70037003 VVOUNARIENIWPT-CQSZACIVSA-N 314.393 1.048 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)n1 70017115 SSGNHDGJJDWAGB-ZDUSSCGKSA-N 317.393 1.099 0 40 DDAB CCCS(=O)(=O)CC(=O)Nc1cc(CC(C)(C)C)n[nH]1 96423922 HVMITTYMUDRNLN-UHFFFAOYSA-N 301.412 1.762 0 40 DDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCCN(C(C)=O)CC1 69367114 ATADKDLQWJKPJY-OAHLLOKOSA-N 308.353 1.594 0 40 DDAB COc1ccccc1CNC(=O)CN[C@H](C)Cn1cccn1 69387384 NEDLUDNDFHSERJ-CYBMUJFWSA-N 302.378 1.186 0 40 DDAB c1coc(-c2nnc(CN3CCC[C@@H]3Cn3cncn3)o2)c1 69488847 DMDLWRRBSXUCLT-LLVKDONJSA-N 300.322 1.586 0 40 DDAB Cc1nc(CCCN2CCCN(S(C)(=O)=O)CC2)cs1 91531572 GXYONJYNIPIRTC-UHFFFAOYSA-N 317.480 1.351 0 40 DDAB CN(C)CCCNC(=O)c1cccc(CN2CCOCC2)c1 111660283 MNBDKIZCNLDGHQ-UHFFFAOYSA-N 305.422 1.200 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(OCC(N)=O)cc2)c1 69511082 DNHMGGDEMKICEY-KGLIPLIRSA-N 316.405 1.795 0 40 DDAB Cc1ccc(OC[C@H](C)NC(=O)NCCc2nc(C)no2)cc1 69624122 HPTDCBDEHZMTFT-LBPRGKRZSA-N 318.377 1.996 0 40 DDAB CCOCCN1CCN(Cc2nc(N)c3ccccc3n2)CC1 69628682 CQCFWUDFWILMSX-UHFFFAOYSA-N 315.421 1.366 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)o2)CC1 69894895 PHGKZKMWSKSRNT-LLVKDONJSA-N 316.785 1.088 0 40 DDAB Cc1cccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)n1 71818921 BUZXTAYZAHHQKS-UHFFFAOYSA-N 311.389 1.948 0 40 DDAB COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)O)CCN2C2CC2)c1 97047607 MPKMOVVNANYCPP-KNXALSJPSA-N 304.390 1.470 0 40 DDAB O=S(=O)(Nc1nc2ccccn2n1)c1c(F)cccc1F 97098490 VIMXFNNTTYERNZ-UHFFFAOYSA-N 310.285 1.808 0 40 DDAB Cc1cccc([C@@H]2CCCN2C(=O)Cn2cc(CO)nn2)c1C 84213379 LMUFWZOEKWCZMT-INIZCTEOSA-N 314.389 1.751 0 40 DDAB C[C@@H](CNC(=O)NC1Cc2ccccc2C1)N1CCOC[C@@H]1C 97140222 DPUBASBGPKVMSM-KBPBESRZSA-N 317.433 1.562 0 40 DDAB C[C@@H](C[S@@](C)=O)N(C)c1ccc2nnc(C(F)F)n2n1 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C[C@@H](CC(=O)c1ccccc1)NC(=O)CNC(=O)C(C)(C)C 89894619 TZZBDMSRPNVRGN-LBPRGKRZSA-N 304.390 1.926 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 89941192 SMCLFFHRBRBCOI-TZMCWYRMSA-N 322.430 1.288 0 40 DDAB O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CCNCC1 38478374 UGAYGSJRKGXOEM-OLZOCXBDSA-N 309.207 1.984 0 40 DDAB NCC(=O)N(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 79404341 HXLPPZVJGZMAQA-MRXNPFEDSA-N 301.434 1.848 0 40 DDAB Cc1nnc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C 127508100 RUNAMVXIZFXRGX-LLVKDONJSA-N 309.414 1.565 0 40 DDAB Cc1c(C(=O)N2CCO[C@@](C)(C(N)=O)C2)c2ccccc2n1C 72379775 UVQJQSONYKMHRR-QGZVFWFLSA-N 315.373 1.203 0 40 DDAB COCC(=O)N1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 72374121 HCJWCRFZOHKOHK-CQSZACIVSA-N 312.373 1.891 0 40 DDAB Cc1cc(C2CCN(C(=O)CCc3ccn(C)n3)CC2)n[nH]1 560354910 OZXMSPWIIYEBCQ-UHFFFAOYSA-N 301.394 1.790 0 40 DDAB CN1CCC[C@@H](c2cccc(C(=O)N3CCCOCC3)n2)C1 72365729 DEFAFDHLWUGELD-CQSZACIVSA-N 303.406 1.753 0 40 DDAB Cc1ccc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)o1 40776417 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516877019 OAERGXTUKGVLBS-CQSZACIVSA-N 302.374 1.243 0 40 DDAB Cc1nnccc1C(=O)N1CCN(CCc2ccccc2)CC1 532799782 WLMOMBFPIKDPGU-UHFFFAOYSA-N 310.401 1.786 0 40 DDAB CCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN 79392889 WVYJDZZKXKNZGU-HNNXBMFYSA-N 319.405 1.595 0 40 DDAB COc1ccc2[nH]c(CN3CCN(C(=O)C4CC4)CC3)nc2c1 38670660 RLISUWVPIQRVLS-UHFFFAOYSA-N 314.389 1.626 0 40 DDAB CC(C)Oc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)nn1C 71195876 BCGLQWAPJJQHNE-LBPRGKRZSA-N 317.393 1.748 0 40 DDAB CS(=O)(=O)CCn1ccc(NC(=O)CC2=CCCCC2)n1 78210571 VROBKHVMFIMDFE-UHFFFAOYSA-N 311.407 1.757 0 40 DDAB COc1ccc2nnc(CCCC(=O)NCc3ccco3)n2n1 72402930 MHTHYMQBDWEOEE-UHFFFAOYSA-N 315.333 1.365 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)o1 32633429 FDIBIPIAEUCIKU-UHFFFAOYSA-N 320.370 1.386 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)C2 72279041 JKUFHPMXTBRULD-RDBSUJKOSA-N 307.394 1.207 0 40 DDAB NCC(=O)N1CCC[C@H](CN(Cc2ccccc2)C2CC2)C1 79391053 HADZEMKQQPUBJC-INIZCTEOSA-N 301.434 1.848 0 40 DDAB Cc1cc(=O)n2nc(CN[C@@H]3CC(C)(C)OC3(C)C)sc2n1 132537310 IFGMZXUWZIKBPX-SNVBAGLBSA-N 322.434 1.895 0 40 DDAB CC(C)CSCCCNC(=O)N[C@H]1C(=O)NCC[C@@H]1C 193920168 AEYPYFQEZJDNMO-NWDGAFQWSA-N 301.456 1.590 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCc1cn[nH]c1 571135390 ZQCUKXFBKLMZQI-CQSZACIVSA-N 316.409 1.849 0 40 DDAB Cc1nc(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cn1C 195574190 FFXNSEIRWBYLMO-VXGBXAGGSA-N 314.455 1.127 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223860428 ARHGOBWLEMFIQF-UHFFFAOYSA-N 322.430 1.920 0 40 DDAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3cnn(C)c3)ccc21 225615367 DJVRVDJSJFGQTD-UHFFFAOYSA-N 320.374 1.130 0 40 DDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1Br 42645740 KCPVZJKCWLVPOT-QMMMGPOBSA-N 315.167 1.275 0 40 DDAB O=S(=O)(CCNC1Cc2ccccc2C1)NCC1CCC1 89579318 QWJZCBBWIVSNRM-UHFFFAOYSA-N 308.447 1.463 0 40 DDAB CC(=O)c1c(F)cccc1N(C)C[C@@H](O)CN1CCN(C)CC1 195575276 LUWDAUUDDDHAIQ-CQSZACIVSA-N 323.412 1.073 0 40 DDAB NS(=O)(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 191528863 CMZRGZNTPFNIGS-SECBINFHSA-N 324.233 1.755 0 40 DDAB Cc1csc(=O)n1CC(=O)NCCO[C@H]1CCCC[C@H]1C 47005011 FPECAHZWXMPGJL-YPMHNXCESA-N 312.435 1.930 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(=O)N(C)C 46957650 QIRURTPNCABRED-KBPBESRZSA-N 318.421 1.289 0 40 DDAB O=C(CNC(=O)c1ccccc1)NCc1cnn2c1CCCC2 225608158 GGOYCPQZGDKYNT-UHFFFAOYSA-N 312.373 1.266 0 40 DDAB CS(=O)(=O)N1CCCN(Cc2ccccc2Cl)CC1 48341268 HCTNQYFMBQQDID-UHFFFAOYSA-N 302.827 1.807 0 40 DDAB Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)o1 96052282 KTIYUUNGQLRBBI-IAGOWNOFSA-N 308.422 1.900 0 40 DDAB O=S1(=O)CC[C@H](c2nn3c(-c4ccco4)nnc3s2)C1 96223233 JCJTYKGDSKJNGX-ZETCQYMHSA-N 310.360 1.348 0 40 DDAB CCOC[C@@H]1CN(CCN2CCCCC2)Cc2ncn(C)c21 96068627 CZPBQRDYSOEBTH-HNNXBMFYSA-N 306.454 1.842 0 40 DDAB O=C(NCc1cnn(Cc2ccccc2)c1)NCC1(O)CCC1 96416067 VGHKYXHZVUSEPR-UHFFFAOYSA-N 314.389 1.646 0 40 DDAB Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccco3)C2)o1 96041306 OAVHQHSIAPLOTA-DMDPSCGWSA-N 303.318 1.758 0 40 DDAB CCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 96193162 BUBYHEWRQRGKRA-UHFFFAOYSA-N 320.798 1.105 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 96072656 GLGDVZQIQRDVMO-DOMZBBRYSA-N 323.418 1.219 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072538 LRMCXNJJUKERNN-INMHGKMJSA-N 318.373 1.399 0 40 DDAB COCCN1CC2(CCN(C(C)=O)CC2)C[C@H]1COCC1CC1 96219816 FLFPFRPQVHMTSH-KRWDZBQOSA-N 324.465 1.762 0 40 DDAB CC(=O)N1CCOC[C@]2(CN(Cc3ccc(C)o3)CCO2)C1 96049905 YNCKUDBSRLBRKP-INIZCTEOSA-N 308.378 1.038 0 40 DDAB COc1ccc2cnn(C[C@@H]3CCCNC3)c(=O)c2c1OC 96511213 VJOHEANTSWBEHX-LLVKDONJSA-N 303.362 1.413 0 40 DDAB CC(=O)N1CC2(C[C@@H](COCc3csc(C)n3)CCN2C)C1 248133763 NXSBJSINSNEFAA-AWEZNQCLSA-N 323.462 1.911 0 40 DDAB CN(C)CC(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247976359 IOTPGQVZUVGSSW-ZDUSSCGKSA-N 307.419 1.109 0 40 DDAB O=C(C1CCOCC1)N1CC2(CO[C@@H](Cc3cncnc3)C2)C1 257307059 SXAYZFOTAYQIDK-HNNXBMFYSA-N 317.389 1.063 0 40 DDAB Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cn1 257207603 BILNRDPEBKGUMZ-BZUAXINKSA-N 303.406 1.450 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2cccnc2-c2cc(C)n[nH]2)C1 257312817 UPRGBFYMGRQXCZ-ZDUSSCGKSA-N 314.389 1.818 0 40 DDAB Cn1ccc2ccnc(CC3CN(C(=O)c4cncnc4)C3)c21 257288448 PUFRFOXCIVUKKH-UHFFFAOYSA-N 307.357 1.678 0 40 DDAB CN1CCC(N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)CC1 257308855 TYKMBYSLIKGGOD-HYVNUMGLSA-N 315.465 1.717 0 40 DDAB Cc1noc([C@H]2CN(S(C)(=O)=O)C[C@H]2c2ccccc2)n1 253472059 INAAWLYMFTUESR-STQMWFEESA-N 307.375 1.521 0 40 DDAB O=C(O)Cn1cc(NC(=O)c2cc3c(nc2O)CCCC3)cn1 647744746 INAZHPCPZAVWRB-UHFFFAOYSA-N 316.317 1.199 0 40 DDAB O=C(c1cnc[nH]1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575406765 SDZPUDUIMJUNGR-CQSZACIVSA-N 323.356 1.710 0 40 DDAB Cc1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)no1 575607027 HXLCDPAFKKSVAI-UHFFFAOYSA-N 300.318 1.435 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccn(C(C)C)n1 585276333 GMLJPZHIXPIIAY-MRXNPFEDSA-N 322.409 1.221 0 40 DDAB CNC(=O)[C@H]1CCC[C@H]1Nc1noc(Cc2ccc(F)cc2)n1 585142309 SQMPXVYNHBNPGV-QWHCGFSZSA-N 318.352 2.126 0 40 DDAB NC(=O)C[C@@H]1CN(c2cnccn2)CC[C@H]1Oc1cccnc1 585274851 PLGHKKCRPNWCDY-TZMCWYRMSA-N 313.361 1.021 0 40 DDAB COc1ccc(C(=O)NS(=O)(=O)C[C@@H]2CCCCO2)cc1 69702557 YJVHDHXKDLTLOA-ZDUSSCGKSA-N 313.375 1.324 0 40 DDAB CCCn1nc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)ccc1=O 71849888 MOCSDYBNRMFNQE-CYBMUJFWSA-N 315.377 1.744 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 43700474 HRLXZYGDSZKLSM-VIFPVBQESA-N 304.129 1.919 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c(=O)[nH]1 75272558 PIVPQMJPMKEJGO-SECBINFHSA-N 312.778 1.862 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606110 QTMVHWMNNYTQPI-HOTGVXAUSA-N 306.381 1.426 0 40 DDAB Cc1ccc(N2CCN(c3cc(C)nc4ccnn34)CC2)nn1 1775974032 VQIUNUAMQVOURP-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)CCNC(C)=O 11774713 UDZRHABDVNEAFC-SNVBAGLBSA-N 324.402 1.805 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC[C@H](O)CN2CCOCC2)c1 12569645 LAWLCHLREIVSPN-KGLIPLIRSA-N 324.421 1.048 0 40 DDAB Cc1cnc(NC(=O)CSc2nnc3ncccn23)s1 15935393 CMZNBSGMOSOKML-UHFFFAOYSA-N 306.376 1.620 0 40 DDAB Cc1cc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)no1 19119527 GGIMBEMNUXFVDG-UHFFFAOYSA-N 315.289 1.021 0 40 DDAB CNc1nc(C(N)=O)c(NC(=O)c2ccc3c(c2)OCO3)s1 19625945 LLKVRDSQUYLVGI-UHFFFAOYSA-N 320.330 1.265 0 40 DDAB biogenic,in-vitro O=C(COC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 4966410 BVAAHIRPCBMZNF-UHFFFAOYSA-N 313.309 1.889 0 40 DDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCC(F)(F)F 6787459 GHETYTZZOQLQAW-UHFFFAOYSA-N 303.219 1.158 0 40 DDAB Cc1ccnc(N2CCN(c3nc(C)nc(C)c3F)CC2)n1 1888853247 CSNDKOHJLKVFJV-UHFFFAOYSA-N 302.357 1.658 0 40 DDAB O=C(CN1CCC(Oc2nccs2)CC1)N1CCCCC1 2086856797 NSLFMEWPJYDSBP-UHFFFAOYSA-N 309.435 1.999 0 40 DDAB O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1cccnc1 217540611 DCAZUCNQHAWREB-LBPRGKRZSA-N 305.359 1.322 0 40 DDAB O=C(CCSc1ccccc1)NCCCn1ncccc1=O 38517156 TXNLEHDOAQJGMO-UHFFFAOYSA-N 317.414 1.932 0 40 DDAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H]1CCCNC1=O 50637421 YVZFTBVSAKDCAH-HNNXBMFYSA-N 312.369 1.859 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 50246479 AKMHYKUTCWKBQV-MRVPVSSYSA-N 309.218 1.963 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)[nH]1 31206447 AJIBZGFPGKZCQJ-VIFPVBQESA-N 303.337 1.946 0 40 DDAB C[C@@H]1Oc2c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cccc2[C@@H]1C 40489191 HWGCIBBOZUSIQC-OHUAYANFSA-N 323.414 1.878 0 40 DDAB c1csc(CN2CCN(Cc3nnnn3C3CC3)CC2)c1 40494027 IMPDMUVGUQMLJA-UHFFFAOYSA-N 304.423 1.387 0 40 DDAB Cc1ccc(-c2noc(CN(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 20680035 GGCWFAWVGDVWTR-CYBMUJFWSA-N 321.402 1.664 0 40 DDAB Cn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1Cl 32977435 BAXPHXUSDNDDEX-ZCFIWIBFSA-N 311.190 1.249 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)n1cncn1 71866611 CASGVLXYCHZVRU-KBPBESRZSA-N 302.382 1.363 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 29957541 WMYBHUKBZDJTEH-CYBMUJFWSA-N 305.378 1.211 0 40 DDAB CC(C)[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccccn1 78980579 ZEKANKIBXBCYOH-BLLLJJGKSA-N 316.405 1.841 0 40 DDAB NC(=O)c1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1 79493153 PTGANZKWHFKEBK-UHFFFAOYSA-N 309.329 1.628 0 40 DDAB COC(=O)c1ccccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 3329047 SUKNSIXBMOCKCL-VXGBXAGGSA-N 307.346 1.488 0 40 DDAB Cn1nnc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 4331086 YIXZEWJXZFSFQI-UHFFFAOYSA-N 313.340 1.224 0 40 DDAB OCCN1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 53515505 SPUMOUNVPSDLQX-UHFFFAOYSA-N 305.447 1.482 0 40 DDAB CC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)c1csnn1 4890262 YXVYVTJRBIZNNU-UHFFFAOYSA-N 322.390 1.688 0 40 DDAB Cc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)cc1C 100855762 WIUBEPXPLVSVTL-NEPJUHHUSA-N 322.386 1.080 0 40 DDAB O=C(NCc1cccc2c1OCO2)c1ccnc(-n2cncn2)c1 54140441 KUDLXYGEWBQTKQ-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB Cn1ncc2c(N3CCN(Cc4cccs4)CC3)ncnc21 12486329 BJFGQYLWAHKQTA-UHFFFAOYSA-N 314.418 1.747 0 40 DDAB CN(C)CCn1ccc(NC(=O)NC[C@H](O)c2cccs2)n1 72303979 UURRURYSMXWOTO-NSHDSACASA-N 323.422 1.361 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 9317279 DSUUOMBQWINTCS-HNNXBMFYSA-N 315.373 1.482 0 40 DDAB CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 106517078 TYSNNUHQRNFXMI-GOEBONIOSA-N 304.390 1.678 0 40 DDAB COc1ccc(S(=O)(=O)NCCc2cccnc2)cc1OC 12537536 FXHYLQOOGVJKTN-UHFFFAOYSA-N 322.386 1.620 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1CC=CCC1 25289986 JALHMCXLEZZLCN-OAHLLOKOSA-N 301.390 1.891 0 40 DDAB CCOCc1cccc(CNC(=O)N2CCC(C(N)=O)CC2)c1 57294588 JRNKSSUPLQGXKV-UHFFFAOYSA-N 319.405 1.630 0 40 DDAB Cn1nc(C(=O)Nc2ccc(N3CCCCC3)nc2)ccc1=O 25064955 WMJBUPMVLHCYJC-UHFFFAOYSA-N 313.361 1.418 0 40 DDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 26756798 RJNYCTHVFDVAOU-ISVAXAHUSA-N 320.349 1.039 0 40 DDAB CN(C(=O)CNc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 57888750 XVFPLAJZYFCIDV-GFCCVEGCSA-N 318.345 1.022 0 40 DDAB Cc1ccccc1S(=O)(=O)NC(=O)NN1C[C@H]2CCC[C@H]2C1 22059948 XLSAYFQNZDWDHT-BETUJISGSA-N 323.418 1.630 0 40 DDAB in-vitro COC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccccc3)C[C@@]23C=C[C@H]1O3 100634749 KNDMWRNUGYJRIY-JWLQBQHUSA-N 313.353 1.703 0 40 DDAB Cc1ccsc1CN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 44895500 LWSOVXGPVGUXDA-UHFFFAOYSA-N 321.402 1.333 0 40 DDAB CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)O)cn23)C1 101911210 ZDOSVNUNNPJPDS-JTQLQIEISA-N 317.349 1.335 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1cccnc1-n1cncn1 44943215 LTEKCKIEYILYSR-UHFFFAOYSA-N 312.333 1.126 0 40 DDAB COCCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccccc1 10340014 PJRMWZWDGCIPHI-CQSZACIVSA-N 305.378 1.296 0 40 DDAB O=C(CCSc1ccc(F)cc1)NCCN1CCOCC1 48090284 LHHIWGFLAJEGEH-UHFFFAOYSA-N 312.410 1.756 0 40 DDAB CN(Cc1cn2c(n1)CN([C@H]1CCOC1)CC2)Cc1ccco1 107213213 HDOOUWRWXGWGHQ-HNNXBMFYSA-N 316.405 1.713 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)CN2CCSC2=O)cc1 48195174 CGIYOAOZRPRWBL-LBPRGKRZSA-N 310.375 1.014 0 40 DDAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCCCC1 12787230 DYHBSNARDCVZME-UHFFFAOYSA-N 308.403 1.853 0 40 DDAB COC(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11545413 IAWSJCOEWXVBKQ-UHFFFAOYSA-N 324.340 1.488 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N[C@H](C)c1ccc(F)cc1 3339151 WXKMFPPJFZAPGZ-BDAKNGLRSA-N 309.370 1.707 0 40 DDAB O=C(C1=CCCC1)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 306123222 AHPDNSNYIQSDAY-AWEZNQCLSA-N 315.373 1.726 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cnn2c(C)cc(C)nc12 12981626 DWSSZSHDVLTAKQ-ZDUSSCGKSA-N 318.377 1.664 0 40 DDAB O=C(Cc1cccc(O)c1)NCc1cccnc1-n1ccnc1 63537502 ZNUWAWFCDXJRPU-UHFFFAOYSA-N 308.341 1.832 0 40 DDAB C[C@@H]1OC2(O[C@@H]1C)C(=O)N([C@@H]1CCOC1=O)c1ccccc12 13400657 GUNWZWMWZLWNSC-WQRDIAHQSA-N 303.314 1.325 0 40 DDAB COCCNC(=O)C(=O)Nc1nsc2nc(C)cc(C)c12 13685262 OIRVTGHHNDTAJM-UHFFFAOYSA-N 308.363 1.009 0 40 DDAB COc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1Cl 5015983 ONDVMAMEYFVYLK-SECBINFHSA-N 313.766 1.844 0 40 DDAB COC(=O)c1ccsc1NC(=O)C[C@H]1SC(=N)NC1=O 5016673 IVZAPZJRKXNFAN-ZCFIWIBFSA-N 313.360 1.030 0 40 DDAB CC[C@@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@H](C)O1 96447218 BRRMUZJKUYWDQS-GXTWGEPZSA-N 309.414 1.476 0 40 DDAB NC(=O)NCCCCC(=O)Nc1ccc(-n2ccnc2)c(F)c1 65587188 UBUNEFCMYAVLNL-UHFFFAOYSA-N 319.340 1.789 0 40 DDAB CC1(C)C[C@@H](NC(=O)Cn2ncc3ccccc3c2=O)CCO1 71284314 LXWBOBWHKBDZNV-ZDUSSCGKSA-N 315.373 1.470 0 40 DDAB CCn1cc(Cl)c(C(=O)N2N=CC[C@@]2(O)C(F)(F)F)n1 6636196 LAQFABGRSZVSSO-SECBINFHSA-N 310.663 1.639 0 40 DDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(Cl)cc1 66365917 SADWQANRYJEFCF-SNVBAGLBSA-N 319.810 1.610 0 40 DDAB CCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)n[nH]c1=O 7113136 WYDFVHHULSVXBW-GFCCVEGCSA-N 320.418 1.903 0 40 DDAB CCCn1c(S[C@@H](C)C(=O)N2CCCCCC2)n[nH]c1=O 7364957 IIUPZSRCBUSNPT-NSHDSACASA-N 312.439 1.865 0 40 DDAB CN(Cc1ccsc1)C(=O)COc1ccc(C(N)=O)cc1 7467515 RFSLSHIGLILENN-UHFFFAOYSA-N 304.371 1.884 0 40 DDAB CNC(=O)CNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 96010643 YRHPLJVVGCYBKK-UHFFFAOYSA-N 323.356 1.893 0 40 DDAB CN(C)CCN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1=O 16029598 NRZQDZVEMNHFBV-LRDDRELGSA-N 311.385 1.744 0 40 DDAB biogenic Fc1cccc2[nH]c(CN3CCO[C@H](Cn4cccn4)C3)nc12 69392151 HDNLLEKGWULAIP-LBPRGKRZSA-N 315.352 1.800 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69418567 IGFANABXTGYSKE-KBPBESRZSA-N 322.434 1.276 0 40 DDAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCS(=O)CC2)cc1 69413786 ZGNUXNZQWRAUQX-UHFFFAOYSA-N 307.415 1.758 0 40 DDAB O=C(Nc1nncs1)[C@H]1CSCN1C(=O)C1CCCC1 69918249 VCKYRUNRBIISON-SECBINFHSA-N 312.420 1.568 0 40 DDAB COc1cccc(CNC(=O)CNCCn2cc(C)cn2)c1 69951658 ATZVLQQOMSEEQV-UHFFFAOYSA-N 302.378 1.106 0 40 DDAB Cc1cccc(C(=O)N2CCCC2)c1NS(=O)(=O)N(C)C 71916551 UFWRLHOFWAAPCV-UHFFFAOYSA-N 311.407 1.449 0 40 DDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1 97164795 UUVQEBFPRZASFN-MRVPVSSYSA-N 317.267 1.334 0 40 DDAB Cn1cc(CNCc2ccc(N3CCC(CO)CC3)nc2)cn1 97197971 SXXAWGHFNYDQCE-UHFFFAOYSA-N 315.421 1.314 0 40 DDAB O=C(NC1CCCCC1)N1CCN(C[C@H](O)C(F)(F)F)CC1 97141811 YWMGOFAVHWXDMO-LBPRGKRZSA-N 323.359 1.570 0 40 DDAB C[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)O1 97107299 CYJNURXNBYILLB-DOMZBBRYSA-N 323.824 1.947 0 40 DDAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C1CCN(C(C)=O)CC1 88269402 JRVCRSGUTBQFJG-GJZGRUSLSA-N 324.421 1.483 0 40 DDAB CC(C)(C)[C@@H]1CCCN(C(=O)c2nc(O)[nH]c(=O)c2N)CC1 73763210 UTQPJJWLUWRTRV-SECBINFHSA-N 308.382 1.346 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 95970717 IXRRAWLKAZQTPM-ZDUSSCGKSA-N 311.765 1.975 0 40 DDAB CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@H]3C2)cc1C(=O)O 95973611 WKBFSZKPTCQDGZ-PHIMTYICSA-N 312.391 1.627 0 40 DDAB O=S(=O)(c1cc(F)ccc1N1CC[C@@H](O)C1)C(F)(F)F 65568551 QWCZCRUBUIOZBM-MRVPVSSYSA-N 313.272 1.690 0 40 DDAB CONC(=O)[C@@H]1CC[C@H](C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 89922565 NSVVTVUOJXUMLW-IGHBBLSQSA-N 316.357 1.516 0 40 DDAB CO[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 75602551 QGXAYRKEQLABFL-CABCVRRESA-N 300.362 1.829 0 40 DDAB CCn1c(=O)c2c3c(cnc2n(CC)c1=O)C(=O)CC(C)(C)C3 22610620 UBBLEILYBXDRHQ-UHFFFAOYSA-N 315.373 1.753 0 40 DDAB CCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957464 KJNONYDRWJNDJJ-VIFPVBQESA-N 320.361 1.646 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)c1cccnc1 72388604 FRBGHWIZIIMCNX-LLVKDONJSA-N 320.374 1.186 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NCCCN(C)C 32611148 VTCMHLRAOPDDRT-JTQLQIEISA-N 306.332 1.839 0 40 DDAB CC(=O)N1CCN(CCO)C[C@@H]1c1ccc(C(F)(F)F)cc1 72367769 XQFQHIRKGUSSOY-CQSZACIVSA-N 316.323 1.903 0 40 DDAB Cc1n[nH]c(CN2CCOCC2)c1I 38927079 SAVNVFWXZGNLFE-UHFFFAOYSA-N 307.135 1.155 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(c3cc(N)nc(C)n3)C2)nn1 72387362 WYCAFHVQLSIUHA-LBPRGKRZSA-N 313.409 1.658 0 40 DDAB CC(=O)c1ccccc1OCc1nc(C)c(CC(=O)O)c(=O)[nH]1 217392205 DPERJZDVBIBANC-UHFFFAOYSA-N 316.313 1.487 0 40 DDAB CC(=O)c1cccc(NC(=O)COc2c(C)n(C)ccc2=O)c1 44890712 AKTQBRBGLYKVQZ-UHFFFAOYSA-N 314.341 1.914 0 40 DDAB O=C(CCc1cnc[nH]1)N[C@H]1CCN(c2ccc(F)cc2)C1 570024979 HCOWOJDBWVZGSP-AWEZNQCLSA-N 302.353 1.877 0 40 DDAB COC(C)(C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225599110 JTYPTOXYRVXEQP-UHFFFAOYSA-N 322.405 1.761 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCc3cccnc3)c(O)n2c1 226821915 MUZOPTVBUDCISH-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB O=C1NCC[C@]12CN(C[C@@H]1CCOC1)C[C@H]2c1ccccc1 96201828 MTENTPQSPAXYNH-QILLFSRXSA-N 300.402 1.629 0 40 DDAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCSCC2)n1 96182810 RNYKGTXNBRTPKT-UHFFFAOYSA-N 306.435 1.964 0 40 DDAB c1cnc(N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)nc1 96041622 MDHXCBCCIRTTGE-ARFHVFGLSA-N 318.421 1.325 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2csnn2)cc1 97100249 IETCQRVDRABOQA-LLVKDONJSA-N 311.432 1.799 0 40 DDAB O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1ccnnc1 96044364 UWORPGWWQLCBHK-CQSZACIVSA-N 313.361 1.127 0 40 DDAB O=C(NCc1cnc2n1CCN(Cc1nccs1)C2)C1CC1 96201169 RMOGGKUFPVPKHP-UHFFFAOYSA-N 317.418 1.382 0 40 DDAB Cc1cc(C(=O)NCC(=O)Nc2nc(C)c(C)s2)n(C)n1 96192409 ZUAFGEJOIPLAOO-UHFFFAOYSA-N 307.379 1.170 0 40 DDAB O=C([C@@H]1CCCO1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161515 KJCFUKVRUJDYNW-XHSDSOJGSA-N 301.390 1.151 0 40 DDAB Cn1nccc1C(=O)NCCC(=O)Nc1ccc2c(c1)CCC2 96192383 LNPAEASTCOWZKI-UHFFFAOYSA-N 312.373 1.667 0 40 DDAB CCN(C1CCN(c2cncc(Cl)n2)CC1)S(C)(=O)=O 96429456 GDWFHABQKXIDJD-UHFFFAOYSA-N 318.830 1.380 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)N[C@H]1COc2ccccc21 96408809 BHLLLKRTCKKALP-QKVFXAPYSA-N 310.419 1.967 0 40 DDAB CNC(=O)[C@@H]1COC[C@H]2CN(C(=O)c3ccc(C)c(C)c3)C[C@@H]12 97953300 AUUCUEGIIXEXRW-BZUAXINKSA-N 316.401 1.384 0 40 DDAB O=C(O)[C@H]1CCCN(c2nccn(-c3ccccc3F)c2=O)C1 96530521 KTCQWUFPXLQHKS-NSHDSACASA-N 317.320 1.673 0 40 DDAB COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cc1c(C)nn(C)c1C 248842062 OFFRLVRMNZKNHG-ZENOOKHLSA-N 319.405 1.380 0 40 DDAB COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 247824341 IVVDKSCZFYBFEF-IIAWOOMASA-N 322.380 1.035 0 40 DDAB C[C@@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1C)C(=O)N(C)C 246181266 TYFUOFMKHGHXDO-CHWSQXEVSA-N 318.421 1.513 0 40 DDAB OC1(CN2CCO[C@H](CCc3ccncn3)C2)CCCCC1 257321373 WBJVGYJGQGSFFO-MRXNPFEDSA-N 305.422 1.805 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cncs2)C1 257298293 RLBQCKMGLCBTRQ-JTQLQIEISA-N 324.431 1.739 0 40 DDAB O=C(c1cnccn1)N1CCC[C@H](c2ccnc3nccn23)C1 257296980 RFFRRQSHOZCOOK-LBPRGKRZSA-N 308.345 1.539 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 250986527 LDZLOPKRBAMLDB-YXAMBPQSSA-N 310.353 1.741 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257230102 GAVQHJPEMSOLEM-GFCCVEGCSA-N 306.391 1.626 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CCO[C@@H](c2cnccn2)C1 257209306 BPVVJIYSKMNDPY-MRXNPFEDSA-N 323.356 1.426 0 40 DDAB CC(=O)N1[C@@H]2CN(C(=O)c3nccn3C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257280033 OJEALIAVWINYRY-QDEZUTFSSA-N 316.405 1.424 0 40 DDAB O=C(c1noc2c1CCCC2)N1CC[C@@](O)(CN2CCCC2)C1 257223302 DWUBHJVXNYXUOG-QGZVFWFLSA-N 319.405 1.226 0 40 DDAB CN(CC(=O)O)S(=O)(=O)c1cc(F)ccc1OC(F)F 263194772 WFTSPJMYRNFZTR-UHFFFAOYSA-N 313.253 1.132 0 40 DDAB Cn1cnc2c1C[C@H](CO)N(C(=O)c1ccc3ncccc3c1)C2 585094702 INCHOBXGIFUDQB-CQSZACIVSA-N 322.368 1.528 0 40 DDAB COCCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)C1CC1 44955478 CRZNIVIREWJUGS-UHFFFAOYSA-N 315.373 1.807 0 40 DDAB CCN(CC(=O)N[C@H]1CCCCNC1=O)c1ccc(C)cc1C 54351143 BVRYZBVSMBAIQQ-HNNXBMFYSA-N 317.433 1.915 0 40 DDAB COc1ccc(NC(=O)NCCc2nnc3n2CCCC3)cc1 97109100 CGUVRIHHFKSPSL-UHFFFAOYSA-N 315.377 1.987 0 40 DDAB O=C(N[C@H](Cc1ccc2c(c1)OCO2)C(=O)O)c1ccccc1 1706107 BRJYOLARVAXBNQ-CYBMUJFWSA-N 313.309 1.841 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 17110492 QBAAYTJNDVIWIZ-CRWXNKLISA-N 313.309 1.306 0 40 DDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 19293957 XVSBDUUMWODMKE-GFCCVEGCSA-N 316.336 1.192 0 40 DDAB O=C1CN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CCN1 19342403 QJRFTVXODKJSPZ-UHFFFAOYSA-N 322.328 1.130 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c(Cl)c1 19735957 ZAVAIGDZIKDSOR-UHFFFAOYSA-N 316.810 1.445 0 40 DDAB CCOc1cc(C=O)ccc1OCCCN1CCN(C)CC1 19798114 AXZLSNRDEBPWTA-UHFFFAOYSA-N 306.406 1.914 0 40 DDAB COc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ncn1 390829444 YUEFBLJYQNJPMR-UHFFFAOYSA-N 304.394 1.576 0 40 DDAB CS(=O)(=O)NCCCN[C@@H]1CCC[C@H](C(F)(F)F)C1 129214438 CUEJPTNVWQEOHS-VHSXEESVSA-N 302.362 1.636 0 40 DDAB O=C1CCC[C@]2(CN(CC3CC3)CCN(C(=O)C3(F)CC3)C2)N1 1614936764 NDNWCOMATRWKES-MRXNPFEDSA-N 323.412 1.082 0 40 DDAB O=C(Cc1ccccn1)N1CCC2(CC(Nc3ncccn3)C2)C1 1565552364 RDMJTSHKRRFCMX-UHFFFAOYSA-N 323.400 1.907 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)O 4280016 UZTOUMMMAIFILR-LBPRGKRZSA-N 314.769 1.748 0 40 DDAB O=C(NCCn1nc(-c2ccco2)ccc1=O)C(F)(F)F 8954591 RWRQCWDRQIXKMV-UHFFFAOYSA-N 301.224 1.182 0 40 DDAB COc1ccc(CC(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OC)cc1F 2055745929 QUTVSJFQOIPAJL-YSVLISHTSA-N 323.364 1.782 0 40 DDAB O=C(CSc1n[nH]c(=O)n1-c1ccccc1)c1ccccn1 12377072 ZKGNLOQAZGMHJU-UHFFFAOYSA-N 312.354 1.931 0 40 DDAB CC(=O)N[C@H](CC(=O)N[C@H](C)Cn1cccn1)c1cccs1 31398386 KOLREMARFKIDRO-DGCLKSJQSA-N 320.418 1.717 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1 32437911 HNNSODUQFYYFSU-UHFFFAOYSA-N 321.402 1.635 0 40 DDAB Cc1ccccc1C[C@@H](C)NC(=O)CN(CC(N)=O)C(C)C 51966823 VAYWOAOPTUGPCA-CQSZACIVSA-N 305.422 1.238 0 40 DDAB Cn1cnnc1CNS(=O)(=O)c1ccc2ccccc2c1 32778050 WSLMSIJXBPZLPA-UHFFFAOYSA-N 302.359 1.447 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc2ccccc2cc1O 21586364 OTEFEXJNJQIESQ-UHFFFAOYSA-N 314.385 1.998 0 40 DDAB CC[S@@](=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 95417704 VCTTVXUNAIWMJZ-NRFANRHFSA-N 308.403 1.198 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 537680 OIMVXRBBDDKOPR-MCYUEQNJSA-N 305.355 1.203 0 40 DDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)S(C)(=O)=O 76068235 CXDVONBTGIMKNN-FZMZJTMJSA-N 315.410 1.942 0 40 DDAB CCc1cc(N2CCN(CCO)CC2)nc(-c2ccncc2)n1 78524667 ZXKHPMLLCKSTCA-UHFFFAOYSA-N 313.405 1.215 0 40 DDAB COCCCn1c(SCC(N)=O)nnc1-c1ccoc1C 4860205 LVTZFXCHFYDJGR-UHFFFAOYSA-N 310.379 1.460 0 40 DDAB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(F)F 6170114 VCWCHPCVOMPJFB-UHFFFAOYSA-N 312.228 1.046 0 40 DDAB CC(C)(C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 6313403 PUYUOXSZNBIEDF-UHFFFAOYSA-N 312.435 1.405 0 40 DDAB NC(=O)CC1CCN(C(=O)COCc2ccccc2Cl)CC1 53890725 UHWIFGQNGWAKJE-UHFFFAOYSA-N 324.808 1.971 0 40 DDAB CCCNC(=O)CN(C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 54583924 WSPUREALKRXNIW-LBPRGKRZSA-N 321.352 1.236 0 40 DDAB CC[C@H](CO)NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1 12389915 JKTQKGATRPFHAJ-LLVKDONJSA-N 314.345 1.642 0 40 DDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCC(N)=O)C1=O 24088261 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CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 13341220 RZAVLYDYOJAJOT-ZDUSSCGKSA-N 311.359 1.517 0 40 DDAB CCOc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 84807929 HTKOWKGFXQJKAR-INIZCTEOSA-N 320.433 1.908 0 40 DDAB CNC(=O)NC(=O)COC(=O)CSc1ccc2c(c1)CCC2 5267793 GOMCOQCVRBVBMH-UHFFFAOYSA-N 322.386 1.266 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)nn1C(C)(C)C 65476033 UPDASQAHINREOB-JQWIXIFHSA-N 306.410 1.673 0 40 DDAB COCc1cc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)ncn1 93314710 GZBWPTQUQGMFNF-SNVBAGLBSA-N 302.338 1.025 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccco1)C2=O 4515396 CQUPETQNKGUTJF-ZBEGNZNMSA-N 319.361 1.397 0 40 DDAB Cc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1F 14361546 WUHNIGXOZDQFHI-UHFFFAOYSA-N 308.338 1.530 0 40 DDAB CN(C)Cc1ccccc1CNC(=O)CN1CCSC1=O 14701577 OQBRUGIGQLZDKO-UHFFFAOYSA-N 307.419 1.533 0 40 DDAB O=C(NCc1nnc2ccccn12)[C@@H]1COc2ccccc2O1 6851125 NIWLRMGVJXRMEZ-ZDUSSCGKSA-N 310.313 1.186 0 40 DDAB Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](N)CC(C)C)n1 71403994 FAFPCQOZIBDTMJ-SNVBAGLBSA-N 318.343 1.836 0 40 DDAB CCc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)cc1 67322122 YEIBIGYLNITJQA-UHFFFAOYSA-N 310.309 1.940 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)C2CCCCC2)c(=O)[nH]c1=O 7799571 SQSSSVKKTHBYMD-UHFFFAOYSA-N 322.409 1.462 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)[C@H](NC(C)=O)C(C)C)c1 7976925 OOIDNVTXCDGIKS-CQSZACIVSA-N 306.362 1.881 0 40 DDAB CC(C)Oc1ccccc1CC(=O)NCCN1CCN(C)CC1 69394177 SNUUERYQMRDUEW-UHFFFAOYSA-N 319.449 1.380 0 40 DDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc[nH]n2)c1 69454936 LBEOCCFITHJDMW-UHFFFAOYSA-N 314.754 1.224 0 40 DDAB COCC[C@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 69538264 XUSHMFUCFQYIST-UWVGGRQHSA-N 307.350 1.953 0 40 DDAB O[C@H](CN[C@H]1CCc2ncnn2C1)COc1ccc(Cl)cc1 69875521 PGWPXZZEVSNHTP-QWHCGFSZSA-N 322.796 1.276 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(C)s2)N(C)C1=S 409202342 PWNPSYYIQOZJKV-POHAHGRESA-N 310.400 1.629 0 40 DDAB O=C(c1ccncc1F)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450438 ACVQSXPUCUILJL-XHDPSFHLSA-N 317.364 1.836 0 40 DDAB CC(C)S(=O)(=O)Cc1cccc(NCC(=O)NC2CC2)c1 71900480 QFFCDKDIQDKQPQ-UHFFFAOYSA-N 310.419 1.700 0 40 DDAB FC(F)(F)c1cc(N2CCOCC2)nc(N2CCOCC2)n1 71922412 QEOJCBRVLHVZPM-UHFFFAOYSA-N 318.299 1.169 0 40 DDAB O=c1cc(CSC[C@H](O)CO)c2cc3c(cc2o1)CCC3 95407555 JVBILTDAXJYTAA-CYBMUJFWSA-N 306.383 1.868 0 40 DDAB CN(C)/C=C/c1ccc2c(c1)S(=O)(=O)C(C)(C)S2(=O)=O 98086479 AFAWXVXENQWRIR-BQYQJAHWSA-N 315.416 1.516 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@H]2O)N1C(=O)OCc1ccccc1 95828720 HNERQWYMBMKIIU-YJNKXOJESA-N 319.357 1.710 0 40 DDAB in-vitro C[C@H](O)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95990189 IGOZVJMXCVWRBW-ONGXEEELSA-N 302.296 1.781 0 40 DDAB C[C@H](O)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95990187 IGOZVJMXCVWRBW-GXSJLCMTSA-N 302.296 1.781 0 40 DDAB O=C(NCCn1cccc1)N1CCC(N2CCCCC2=O)CC1 89878807 OXDOFVJIRUAXMK-UHFFFAOYSA-N 318.421 1.675 0 40 DDAB O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(CCO)CC1 75572603 ASDVMTVZSKPHBQ-NWDGAFQWSA-N 308.344 1.492 0 40 DDAB CON1CCC(CC(=O)N2CCC([C@H]3NCC3(C)C)CC2)CC1 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40 DDAB COc1cccc([C@@H]2C[C@@H](C)CN2Cc2nc(=O)n(C)[nH]2)c1 329682457 SLJIZDPKQLLXCN-RISCZKNCSA-N 302.378 1.700 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NCc1cnn2ccccc12 75162825 JJJHYOVLLXEZSL-UHFFFAOYSA-N 322.324 1.559 0 40 DDAB CN1CCC[C@@](O)(CN2CCN(c3cccc(Cl)c3)CC2)C1 46087407 OEYHCEMAKQYNFD-KRWDZBQOSA-N 323.868 1.919 0 40 DDAB CCc1ccccc1S(=O)(=O)N(C[C@@H](O)CO)C(C)C 420771450 RWDHCJBDSWSFAR-CYBMUJFWSA-N 301.408 1.001 0 40 DDAB O=C(Cc1ccc(Cl)s1)N1CCO[C@H](c2ncon2)C1 328674939 KGMYXCOXDPEETA-VIFPVBQESA-N 313.766 1.927 0 40 DDAB Cc1cc(Cl)ccc1CNCC1(O)CCS(=O)(=O)CC1 225612006 AZXMXMQMXARQEF-UHFFFAOYSA-N 317.838 1.678 0 40 DDAB Cc1ncc(C(=O)NCc2nc(N(C)C)no2)c(C(C)C)n1 193888657 ICLZCBUGMNBCNW-UHFFFAOYSA-N 304.354 1.287 0 40 DDAB CCN1CN(C(=O)NC[C@@H]2CCN(C)c3ccccc32)CC1=O 191897467 UMMRXUYSKLAGBB-ZDUSSCGKSA-N 316.405 1.441 0 40 DDAB O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1cncnc1 96239201 ANSYLQNVJJZPNS-KRWDZBQOSA-N 309.373 1.501 0 40 DDAB COCCN1CCN(Cc2nccn2C)Cc2ccc(C)nc21 96199023 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COc1ccc(CC(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1 257213338 CHDBQFRRDHXQCZ-JFIYKMOQSA-N 318.417 1.342 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc3ccccc3c2)C1 257273371 NGGYQDRCRNIHKF-IBGZPJMESA-N 312.413 1.907 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2coc(C)n2)n1 257246867 IWEFMHOQKPZQEE-LBPRGKRZSA-N 317.349 1.337 0 40 DDAB COC(=O)c1ccc(Cn2nc(C(F)(F)F)n(C)c2=O)cc1 85470739 DKIDOPRDZBXGQD-UHFFFAOYSA-N 315.251 1.436 0 40 DDAB Nc1nccnc1[C@H]1CN(CCOc2ccccc2)CCO1 257269518 MQIGSDWLIFUHAA-CQSZACIVSA-N 300.362 1.511 0 40 DDAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257314355 UWPJKDXVRLNXTE-NSHDSACASA-N 309.395 1.020 0 40 DDAB c1coc(-c2cc(Cn3nnnc3C3CCOCC3)no2)c1 642374709 SLMPDKVPLQQCRI-UHFFFAOYSA-N 301.306 1.863 0 40 DDAB CN(C)CCC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 575403376 JRWMEEYYTZDYMG-CQSZACIVSA-N 319.405 1.030 0 40 DDAB Cc1cc(C(=O)NCc2ccnc(N3CCCC3=O)c2)nn1C 575609654 ZDFDGUPNPRQNPL-UHFFFAOYSA-N 313.361 1.180 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@@H]21 585109049 QEKGUVQETHFHBE-QLFBSQMISA-N 302.374 1.441 0 40 DDAB O=C(N=c1ccc2c([nH]1)OCCO2)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 585123878 JRRKLFTVOMYWAK-DAXOMENPSA-N 308.337 1.799 0 40 DDAB C=CC(=O)N1CC[C@H](c2cc(Nc3cnccn3)nc(C)n2)C1 585292461 NCQOVECPHCDPBW-LBPRGKRZSA-N 310.361 1.821 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 72235464 YEIKNIRWSAGSPA-CQSZACIVSA-N 315.377 1.071 0 40 DDAB COc1ccccc1COC[C@@H](O)CN1CC(n2cccn2)C1 72254023 PAROAWRRRKGJKE-INIZCTEOSA-N 317.389 1.326 0 40 DDAB C[C@@H](CNC(=O)[C@@H](C)n1cncn1)N1CCc2sccc2C1 46243620 HJAWKWDUKJTCDE-NWDGAFQWSA-N 319.434 1.464 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 56156895 JQVVNRWQXWFPDO-NWDGAFQWSA-N 307.394 1.969 0 40 DDAB CCN1CCN([C@H]2CCN(CCOc3ccc(F)cc3)C2)CC1 89977312 YCZIEKXXCRMMEY-KRWDZBQOSA-N 321.440 1.916 0 40 DDAB COc1ccnc(N2CCc3nn(C(C)C)c(=O)cc3C2)n1 76064322 GRAFXRTVSQHROZ-UHFFFAOYSA-N 301.350 1.186 0 40 DDAB CC(C)Cc1noc(CN2CCC[C@H]2CN2CCC[C@H]2CO)n1 107069645 PTRZTWISJOESLZ-GJZGRUSLSA-N 322.453 1.689 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(S(C)(=O)=O)CC1 96098181 LEEHMTKQZONLJR-GFCCVEGCSA-N 311.403 1.490 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(Cc3ccncc3)C[C@H]2C)CC1 84714487 ZMLPSWOHNQXHOI-QAPCUYQASA-N 316.449 1.456 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc1F 5149133 AFFFZBBANJKMAY-UHFFFAOYSA-N 312.297 1.225 0 40 DDAB CCn1c2ccccc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12 12145075 AJFXIJYIGKNFGQ-UHFFFAOYSA-N 315.377 1.385 0 40 DDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)C(C)C)C3)c2n1 12337285 YDBNNSMTTIARTG-NSHDSACASA-N 318.381 1.130 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(O)cc2O)C1 12685881 FDMQNEWWWABAAA-PHIMTYICSA-N 307.346 1.759 0 40 DDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)C1CC1)CC3 13226778 CCRIADFQLUGYFT-UHFFFAOYSA-N 303.387 1.561 0 40 DDAB CC(C)OCCCNC(=O)[C@H](C)Sc1ncnc2nc[nH]c12 13569802 QJDCQHBNIDKYMK-JTQLQIEISA-N 323.422 1.765 0 40 DDAB CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 13584626 PVECAVVCGZFYCA-UHFFFAOYSA-N 320.370 1.376 0 40 DDAB COc1c[nH]c(C(=O)NCc2ccc3c(c2)OCO3)cc1=O 16968322 BOCHPZHPJAYOSL-UHFFFAOYSA-N 302.286 1.042 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C 200048376 MRYWNUSDYDHMAO-GFCCVEGCSA-N 312.391 1.411 0 40 DDAB CC(=O)N1CCC(CNC(=O)N2C[C@@H](C)OC(C)(C)C2)CC1 105314717 FYTFBMULKOBKAM-GFCCVEGCSA-N 311.426 1.454 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 4548074 HXFZPVBTHKYMHV-NEPJUHHUSA-N 307.394 1.546 0 40 DDAB Oc1nc(N2CCN(Cc3cocn3)CC2)nc(C2CC2)c1F 1888857012 MRWFANPPQGDMEG-UHFFFAOYSA-N 319.340 1.509 0 40 DDAB O=C([C@H]1CN(CCc2ccccc2)CCO1)N1CCCCC1 1888906830 LFSKOBIMXCHMPB-QGZVFWFLSA-N 302.418 1.942 0 40 DDAB CN1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 6943569 DLXQCQPSJXTNEG-UHFFFAOYSA-N 306.790 1.852 0 40 DDAB Cc1ccc(F)cc1CN1CCO[C@]2(COCC(=O)N(C)C2)C1 2037984370 YRTXDCWSVLQSRT-KRWDZBQOSA-N 322.380 1.194 0 40 DDAB Cc1nocc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984864 QACMFRNLZDFQEF-INIZCTEOSA-N 321.377 1.083 0 40 DDAB O=C(Cc1ccc(F)cn1)N1CC2CC1(C(=O)NCC1CC1)C2 1565546610 AVVKEDFQWWUMKP-UHFFFAOYSA-N 317.364 1.280 0 40 DDAB Cc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1 4370355 WKZUBBAGVJZMFZ-UHFFFAOYSA-N 323.356 1.590 0 40 DDAB CCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055772339 AADYCQBZNSEAFB-GFCCVEGCSA-N 304.394 1.064 0 40 DDAB CCC[C@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 40091140 AZCSFHVFOZYSIP-STQMWFEESA-N 316.405 1.972 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)NC[C@@H]1CCCO1 40477773 ZZLHNRVZAIIUEW-INIZCTEOSA-N 314.389 1.910 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)NC(C)(C)C)C(=O)N1c1ccc(F)cc1 20671490 WLMQNHJGFIJNEZ-SNVBAGLBSA-N 321.352 1.898 0 40 DDAB CCOc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc1OC 101347819 RIMXWXWJEIXQTD-NSHDSACASA-N 316.317 1.669 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 52997638 QPXHCZKJQUNAMM-BDAKNGLRSA-N 301.330 1.658 0 40 DDAB O=C1CN(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)C(=O)N1 78599810 DYHGDCWKLYIXOL-UHFFFAOYSA-N 319.214 1.335 0 40 DDAB CCc1cccc(NC(=O)CN2CCO[C@@H](C(=O)OC)C2)c1 103149554 BJLOBNYFLWZSEB-CQSZACIVSA-N 306.362 1.061 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N1c2ccccc2C[C@@H]1C 4807655 CEJQASOWCYIFSY-UWVGGRQHSA-N 303.391 1.669 0 40 DDAB COc1ccc(NC(=O)C(=O)NCCCOC(C)C)c(OC)c1 6328096 MHUIDBYMTOPDLZ-UHFFFAOYSA-N 324.377 1.574 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7928272 WLSYOGCFCXDPBH-NWDGAFQWSA-N 322.792 1.988 0 40 DDAB O=C(NCCCO)c1nc(Cc2c[nH]c3ccccc23)no1 12389450 PZFRXVWRLATOOH-UHFFFAOYSA-N 300.318 1.254 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C 10044263 KEAUDRBEZYJGDE-OAHLLOKOSA-N 318.398 1.808 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCNC(=O)C1 23420726 NGVMUUMWNNCUJA-UHFFFAOYSA-N 306.410 1.047 0 40 DDAB CCc1nnc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)o1 24038417 IPXBPJBGTMHCEC-UHFFFAOYSA-N 324.358 1.534 0 40 DDAB O=C(NCc1ccccc1)c1cccc(-n2nc(O)ccc2=O)c1 61341622 DKSPWQVYAZKZHH-UHFFFAOYSA-N 321.336 1.868 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)nc1 55329030 FXVRERJGCPNQMZ-LBPRGKRZSA-N 302.378 1.913 0 40 DDAB COc1ccc(CCNC(=O)C(=O)Nc2nccs2)cc1 9995843 SUUUZYLOAHAFHN-UHFFFAOYSA-N 305.359 1.449 0 40 DDAB CC(C)c1noc(CCC(=O)N(CC(N)=O)C2CCCC2)n1 71821138 GWCVUDRNHQQSBS-UHFFFAOYSA-N 308.382 1.382 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN([C@@H]2CCC[C@H]2O)CC1 107321038 PDBHCXKDXSEVFK-GBJTYRQASA-N 304.390 1.441 0 40 DDAB CC(=O)N1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1 25911351 FVSPRFHYQFHOFC-UHFFFAOYSA-N 300.362 1.709 0 40 DDAB CCc1nsc(N2CCCN([C@H](C)C(=O)NC3CC3)CC2)n1 107507348 GDYJPRVNTOQUHF-LLVKDONJSA-N 323.466 1.280 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 71871116 GSEZDURDWZXPIU-APHBMKBZSA-N 306.381 1.454 0 40 DDAB CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 27056641 CHRGYSFUNJDKTE-OLZOCXBDSA-N 316.357 1.960 0 40 DDAB CCOC(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 27243743 CTPCVVWXIZBTBW-CQSZACIVSA-N 307.346 1.537 0 40 DDAB O=C(c1ccoc1)N1CCN(Cc2nnsc2Cl)CC1 27581962 YBRZYHCNUDEHEL-UHFFFAOYSA-N 312.782 1.743 0 40 DDAB CC(=O)N[C@@H]1CCCN(Cc2csc(-c3ncccn3)n2)C1 58157327 XLPIKHLCFBKMOW-GFCCVEGCSA-N 317.418 1.701 0 40 DDAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccnc1S 58245101 CQQLNAIEWZNHOQ-NSHDSACASA-N 313.382 1.906 0 40 DDAB COc1ccc(CC(=O)NCCCCN2CCOCC2)cc1F 48286400 HLEJYOGKOXRASS-UHFFFAOYSA-N 324.396 1.605 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)o2)CC1 44908130 SIMYCKAOCVUOHM-UHFFFAOYSA-N 306.771 1.087 0 40 DDAB CNc1snc(C)c1C(=O)NCCc1nnc2ccccn12 28024424 FCGVIWSVVQHNAK-UHFFFAOYSA-N 316.390 1.508 0 40 DDAB CCCCNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C 57521199 VQHZDYCAHDVJRU-UHFFFAOYSA-N 308.407 1.578 0 40 DDAB C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H](C)c1nncn1C 45380741 UPRCSOZEXXNESF-VXGBXAGGSA-N 317.393 1.902 0 40 DDAB Cc1nc(C(=O)N2C[C@H](C)OC[C@H]2C)nn1-c1ccc(F)cc1 45448613 CJJDJALPESMFDR-MNOVXSKESA-N 318.352 1.964 0 40 DDAB CN(C)c1cc(CNC(=O)N[C@@H]2CCN3CCCC[C@H]23)ccn1 48354901 SGGPHXCMLCHEKZ-HUUCEWRRSA-N 317.437 1.574 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cn3ccccc3n2)C1 48301564 FZVFPOIUYUITAJ-AWEZNQCLSA-N 316.405 1.421 0 40 DDAB COCCOc1ccc(CNC(=O)c2ccc(C)nc2)cn1 48394502 VGFDXFUOEZBXCY-UHFFFAOYSA-N 301.346 1.740 0 40 DDAB CCOC(=O)NC(=O)COC(=O)c1ccc2ncsc2c1 3438488 HOHZZVQCXFKUPC-UHFFFAOYSA-N 308.315 1.726 0 40 DDAB Cc1nnsc1CN(C)C(=O)c1ccccc1-c1nc[nH]n1 67974489 XINJJUBFYINUMN-UHFFFAOYSA-N 314.374 1.904 0 40 DDAB COc1ccccc1[C@@H](NC(=O)c1cc[nH]n1)c1noc(C)n1 70983290 QUWOHTILLFJKQB-CYBMUJFWSA-N 313.317 1.629 0 40 DDAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@H]1CCCO1 14092778 CFRPPTZXXVHKIL-NWDGAFQWSA-N 324.450 1.780 0 40 DDAB NC(=O)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 65528876 KPORQSXANKZCCF-UHFFFAOYSA-N 310.313 1.347 0 40 DDAB COC(=O)c1ccc(C)c(OCC(=O)NC(=O)NC2CC2)c1 65563649 YADOQFUGAKKOAB-UHFFFAOYSA-N 306.318 1.149 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)N2CCCCC2)C(=O)N1c1ccccc1 14160449 IZTBKXSJSAQSLE-CYBMUJFWSA-N 315.373 1.856 0 40 DDAB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc1O 19323007 SWUVLPLCEUMIJS-UHFFFAOYSA-N 302.374 1.626 0 40 DDAB biogenic CCCCn1c(=O)[nH]c(=O)c2c1nc(CNCCC)n2CCC 6553115 VQTKSKNJOHUIKQ-UHFFFAOYSA-N 321.425 1.596 0 40 DDAB CCC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 4689053 CDPHTGBOSLPXLF-LLVKDONJSA-N 316.398 1.897 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@H]1CCC[C@H]1O 84344362 XUBRHAXXBYATOV-ZWNOBZJWSA-N 314.332 1.804 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 6921532 GXBHFAMSBFMOGG-UHFFFAOYSA-N 309.435 1.976 0 40 DDAB Cc1nc([C@@H]2CCCCCN2S(=O)(=O)N(C)C(C)C)no1 96000588 ALNNRLLMPIMBTR-LBPRGKRZSA-N 316.427 1.880 0 40 DDAB CC[C@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 20140165 DRKRGZLVVURSDW-OAHLLOKOSA-N 322.457 1.331 0 40 DDAB COc1ccccc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 16117535 HAGZFGRFJYJBJR-UHFFFAOYSA-N 322.386 1.156 0 40 DDAB CC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1 19702512 ZLAJONTWHVZLEP-UHFFFAOYSA-N 305.378 1.097 0 40 DDAB COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC2 19796794 SHRUEGWNBHWTNY-UHFFFAOYSA-N 324.402 1.294 0 40 DDAB O=C(C1CC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 16695050 ONAYOFBPXZMFRX-UHFFFAOYSA-N 318.402 1.852 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H]1Cc3ccccc3S1)C2 69569703 DMRVCYSFGMOJQU-CYBMUJFWSA-N 314.414 1.900 0 40 DDAB O=C(CC1CCCCC1)N1CCN(CCN2CCOC2=O)CC1 69623069 NZEMVRLECPTTBB-UHFFFAOYSA-N 323.437 1.553 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)c1cccc3c1OCO3)C2 69770241 VFFROYZLMLHVRP-UHFFFAOYSA-N 314.345 1.786 0 40 DDAB COc1ccc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c2ccccc12 92008266 ZTXUIGMNGKUMLR-PXAZEXFGSA-N 314.385 1.923 0 40 DDAB O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccoc1 95396021 WFXKOWUCQCCNBR-UHFFFAOYSA-N 322.333 1.274 0 40 DDAB COc1ccc(OC)c(CCC(=O)N[C@@H]2CC(C)(C)OC2=O)c1 95435817 YKRGPIHJCOFMGV-CYBMUJFWSA-N 321.373 1.847 0 40 DDAB O=C(O)CCN(C(=O)C1=NO[C@H](c2ccccc2)C1)C1CC1 95424466 ZPNLLIGYQGPGJY-AWEZNQCLSA-N 302.330 1.970 0 40 DDAB Cn1cnnc1[C@@H]1CCCN1C(=O)NCCc1ccsc1 95453658 POJHUPYLADQSCO-LBPRGKRZSA-N 305.407 1.966 0 40 DDAB C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 95982934 VPXSTQKJJHYDKV-TZMCWYRMSA-N 324.446 1.915 0 40 DDAB CCCCN1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95999538 ZCSKGIMBFRAMOP-ZDUSSCGKSA-N 321.387 1.957 0 40 DDAB CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 95961898 FFHTWVRAZBBUQP-CQSZACIVSA-N 324.446 1.726 0 40 DDAB COc1cc(CCNC(=O)N[C@H]2CCCC[C@H]2O)ccc1F 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CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 71285433 TYCBEKVUELNSMY-CHWSQXEVSA-N 316.357 1.874 0 40 DDAB COC1(CC(=O)N2CCN(c3cncc(F)c3)CC2)CCC1 560420789 MMNZFTNKUJUVNT-UHFFFAOYSA-N 307.369 1.829 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cncc([C@H]2CCCN2)n1 72365642 VKMDGNDODICBFC-CYBMUJFWSA-N 300.337 1.970 0 40 DDAB CCOc1ccc(CC(=O)N2CC(Nc3ncccn3)C2)cc1 238861522 KTUBKMNGFJVIEK-UHFFFAOYSA-N 312.373 1.741 0 40 DDAB COC(=O)c1ccc(N2C[C@H](C(=O)OC)CC2=O)cc1Cl 45953329 GGGNTLBLDVXZKX-MRVPVSSYSA-N 311.721 1.653 0 40 DDAB Fc1ccc([C@@H](NCc2nnc3n2CCC3)c2ncc[nH]2)cc1 527349222 KWTDIDFMEAQVKU-OAHLLOKOSA-N 312.352 1.966 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 225426154 GXRKGHVCVNNQLM-ZDUSSCGKSA-N 316.361 1.612 0 40 DDAB Cc1ccnc(-c2noc(C[C@H]3CCCS(=O)(=O)C3)n2)n1 328856106 XFCDKYKABAHUHM-SNVBAGLBSA-N 308.363 1.202 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1ccccc1 572721702 AXYUCLHPTMNFGH-LSDHHAIUSA-N 313.357 1.600 0 40 DDAB CS(=O)(=O)CCN1CCN(Cc2cc(F)ccc2F)CC1 89934426 WDQXPINCGVCREI-UHFFFAOYSA-N 318.389 1.127 0 40 DDAB CN(C)C(=O)[C@H]1CCN(C(=O)Nc2cccc(C3CC3)n2)C1 333949048 WWXKMPRESDEQPG-LBPRGKRZSA-N 302.378 1.901 0 40 DDAB CCN(CC)C(=O)CCC(=O)Nc1n[nH]c2c1c(C)nn2C 87364076 OUJXTNBUNMZHKC-UHFFFAOYSA-N 306.370 1.192 0 40 DDAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC(=O)NC1 96451227 HXLBFNXNTFEODZ-ZYHUDNBSSA-N 310.781 1.892 0 40 DDAB O=S(=O)(Cc1ccccc1)N(CCO)Cc1cccnc1 96417492 MEDMFOXYLGJDSU-UHFFFAOYSA-N 306.387 1.406 0 40 DDAB O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161493 JHRNIIUVANOYGO-IYBDPMFKSA-N 309.373 1.076 0 40 DDAB O=C(NCCCO)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5195614 LWVRQENHQMLRTD-NSHDSACASA-N 311.769 1.127 0 40 DDAB CCc1cccc2c(CCNS(=O)(=O)[C@H]3CCOC3)c[nH]c12 96453018 WMYLYGZTOIHYJS-AWEZNQCLSA-N 322.430 1.981 0 40 DDAB CCC(CC)(CNC(=O)Cc1cc(C)on1)S(C)(=O)=O 96443234 NVUIPFWNXDUHKG-UHFFFAOYSA-N 302.396 1.245 0 40 DDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)C(C)C)CC3)[C@@H]1CN(C)C2 96143832 BPQJJFGBCNBJCW-KBXCAEBGSA-N 321.465 1.339 0 40 DDAB COCCNC(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 96403681 JWRZHBYYJJRKOX-UHFFFAOYSA-N 323.393 1.447 0 40 DDAB COc1ccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)cc1 96055806 DZWUJNBGZUEJBM-SJORKVTESA-N 317.433 1.432 0 40 DDAB CC(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96080349 ACUCLZSLZOKYHV-INIZCTEOSA-N 302.378 1.319 0 40 DDAB O=C(c1cnccn1)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 96215546 WTSYTFYWNMXXEH-QGZVFWFLSA-N 300.406 1.815 0 40 DDAB O=C1CO[C@@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1ccncc1 96054269 UUZLWVSIHHRYJN-IAGOWNOFSA-N 324.384 1.088 0 40 DDAB CCc1cnccc1C(=O)OCCn1nc2ccccn2c1=O 97237513 UOQUAEJZLVQTKS-UHFFFAOYSA-N 312.329 1.310 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96106735 IEWIHYSXLHUGPH-CQSZACIVSA-N 305.378 1.766 0 40 DDAB CCS(=O)(=O)[C@](Cl)(I)[C@H](C)O 96520193 XWSPONVRIRZGOA-CRCLSJGQSA-N 312.556 1.130 0 40 DDAB CN(C)c1nccc(=NC2CCN(C(=O)c3ccoc3)CC2)[nH]1 607058853 BSWNOGCHRFWRJR-UHFFFAOYSA-N 315.377 1.274 0 40 DDAB Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)no1 257228762 FVDGVDSYIZSADY-MRXNPFEDSA-N 316.361 1.091 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2ccncc2C)n1 257289898 QARROFUICHMKPI-HNNXBMFYSA-N 300.362 1.768 0 40 DDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccn(C)n3)C2)n1 257337424 YSSAPQQODJTASM-AWEZNQCLSA-N 313.405 1.865 0 40 DDAB Cc1cc(C2CCN(C(=O)c3cn(C)cn3)CC2)nc2ccnn12 257214056 CKIFEBQRNOTOHA-UHFFFAOYSA-N 324.388 1.791 0 40 DDAB COc1cccc(C)c1NC(=O)N1CC(NC(=O)C2CC2)C1 252488109 IJXNEKKSUSMMHO-UHFFFAOYSA-N 303.362 1.746 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2cnn(C)c2C)[C@H]1O 257271944 NALANHMQNWEXBY-IIAWOOMASA-N 309.410 1.048 0 40 DDAB CN1CCC[C@H]1C(=O)N1CCC(c2ccn3nccc3n2)CC1 257329388 XJUNXAFKPKLKKT-HNNXBMFYSA-N 313.405 1.530 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2Cc2ncccc2F)n1 257280750 OMFIHDVIBCDELU-CQSZACIVSA-N 304.325 1.598 0 40 DDAB COc1ccc(F)cc1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257324389 WOMMTBVYJRBSNC-HOCLYGCPSA-N 309.337 1.854 0 40 DDAB CN(C)c1cc([C@H]2CCCN(CC3(O)CCOCC3)C2)ccn1 257279122 OFCWCDVJHIDQOX-INIZCTEOSA-N 319.449 1.869 0 40 DDAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2cnn(C)c2)n1 257245216 IONRRALLJMRISH-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cc[nH]n3)n2)C1 257220410 DKTDDPCAIVXAHQ-NSHDSACASA-N 321.406 1.081 0 40 DDAB CCO[C@H](CS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)O)C1CC1 629304563 MVYXGROCBYVZHF-VXGBXAGGSA-N 317.407 1.070 0 40 DDAB O=C(C1CCSCC1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093986 WJCDRSNDBKRIRU-AWEZNQCLSA-N 324.490 1.435 0 40 DDAB O=C1C[C@]2(CCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1 585101626 YVYWRYKWDROBBH-HNNXBMFYSA-N 318.352 1.324 0 40 DDAB COC(=O)[C@@H](CNC(=O)Cn1ncc2ccccc21)CC(C)C 72295824 CNUWBQMMZSJCRB-CQSZACIVSA-N 317.389 1.988 0 40 DDAB O=C(c1ccncc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986094 UULWHSVXRPUKTF-UHFFFAOYSA-N 324.384 1.993 0 40 DDAB O=C(c1ccncc1)N1CCN(c2cc(Cl)ncn2)CC1 76042530 HGOJKOIELLMRPL-UHFFFAOYSA-N 303.753 1.487 0 40 DDAB Cc1nnc(N2CCN(c3ccnc(N(C)C)n3)CC2)s1 301378128 XBOTYGPNUDJCHS-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB CC(C)N(CCOc1ccccc1F)CCS(C)(=O)=O 89869592 SOTZHHNDVMVTLL-UHFFFAOYSA-N 303.399 1.960 0 40 DDAB C[C@@H](C(=O)N1CCCC1)n1nc(-c2cccs2)cc(N)c1=O 12181245 QUUJZJSPGWORPD-JTQLQIEISA-N 318.402 1.737 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326216 AKCKODPZRJOLDY-CJNGLKHVSA-N 320.408 1.881 0 40 DDAB CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)CC 14608443 TVPGTGYLVREKQO-UHFFFAOYSA-N 317.349 1.804 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc(C(F)(F)F)cc1 19074438 SDQAYFQPHSXEJS-UHFFFAOYSA-N 302.296 1.767 0 40 DDAB COC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 5190803 QHUPJRAPGKRJBZ-NEPJUHHUSA-N 321.377 1.135 0 40 DDAB CCCNC(=O)[C@@H](C)SCCN1C(=O)c2ccccc2C1=O 15490426 QSEVCNVLZFPTKW-LLVKDONJSA-N 320.414 1.931 0 40 DDAB C[C@H](On1nnc2ccc(Cl)cc21)C(=O)N1CCCCC1 5441103 INKAASJUEWNJEB-JTQLQIEISA-N 308.769 1.914 0 40 DDAB Cc1cc(C(=O)N2CCC(Oc3nncs3)CC2)n(C)n1 825286089 PTERTMYJGLIQJC-UHFFFAOYSA-N 307.379 1.264 0 40 DDAB CN(C(=O)c1ccc2nccnc2c1)C1CN(c2ccccn2)C1 1888885399 FGZHTTDIGDTJMX-UHFFFAOYSA-N 319.368 1.986 0 40 DDAB COCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839712 BFVWQRJRFCVAMQ-QGZVFWFLSA-N 318.373 1.057 0 40 DDAB O=C(NCCc1c[nH]cn1)c1ccc(OC[C@@H]2CCCO2)nc1 244986258 JMZLYFMCZUJZLD-AWEZNQCLSA-N 316.361 1.335 0 40 DDAB CN(C)CCN1C[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@H]2C1=O 1565544439 KZKFKWVTPNBFJX-IIDMSEBBSA-N 319.449 1.211 0 40 DDAB O=C(NC1CC1)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714865 VYWRZELLVYYLHH-LLVKDONJSA-N 316.405 1.397 0 40 DDAB O=C([C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1)N1CCCCC1 2086861209 TUXXSNUJPHLWCD-ZDUSSCGKSA-N 320.393 1.160 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1 672163197 LGRYFWDSPQOWLS-SECBINFHSA-N 323.340 1.618 0 40 DDAB C[C@@H](COc1ccc(F)cc1)NC(=O)NCCc1cnn(C)c1 50146477 DRKQQIFAKBDKAQ-LBPRGKRZSA-N 320.368 1.868 0 40 DDAB C[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C)CO1 40501487 QOGLPJMUQBZJKT-MNOVXSKESA-N 307.781 1.957 0 40 DDAB Cc1c(C(=O)N2CCN(CCc3ccccc3)CC2)cnn1C 31970439 ZNBAGLLVZFDPDA-UHFFFAOYSA-N 312.417 1.729 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)n1 20723422 HJOYCUDSFTTYSD-UHFFFAOYSA-N 311.345 1.166 0 40 DDAB O=C(NCc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20745514 CQKFZECTJFDQCI-UHFFFAOYSA-N 321.336 1.770 0 40 DDAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCCCO 20722981 GSSYUQGCSPBQNS-CYBMUJFWSA-N 308.403 1.821 0 40 DDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21 101432474 ZAEOAXCNDWQKKI-HNNXBMFYSA-N 323.352 1.137 0 40 DDAB CN1N=C(C(=O)N(Cc2ccc(F)cc2)C2CC2)CCC1=O 21069081 MLZPTSWWDIHENP-UHFFFAOYSA-N 303.337 1.925 0 40 DDAB CCONS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 32848074 KWOJBKYZUOXSLH-UHFFFAOYSA-N 300.380 1.901 0 40 DDAB O[C@@H](CSc1nnnn1C[C@H]1CCCO1)c1ccccc1 32814773 PUACYLXJEOTPPN-OLZOCXBDSA-N 306.391 1.678 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)cc1 66893 FWSDIFYQWLUYHL-LBPRGKRZSA-N 303.297 1.664 0 40 DDAB CC(=O)N1CCC(NC(=O)CCCc2nc(C(C)C)no2)CC1 46762216 BCODGELQUDYEAI-UHFFFAOYSA-N 322.409 1.643 0 40 DDAB NC(=O)COc1cccc(NC(=O)CSC(F)(F)F)c1 33164837 SQONZHGJQOGWJS-UHFFFAOYSA-N 308.281 1.742 0 40 DDAB C[C@H]1CN(CCC(=O)N2CCOCC2)[C@H](c2ccccc2)CO1 76089752 XZQWAYXZGQUZIC-RDJZCZTQSA-N 318.417 1.697 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78789162 BHUAOUIXZWFYQA-CABCVRRESA-N 310.344 1.636 0 40 DDAB OC1(CN2CCO[C@@H](CNc3cccnn3)C2)CCCCC1 78899946 UKIBVTNKKMUFJP-AWEZNQCLSA-N 306.410 1.285 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCOC(=O)c1cccnc1 2005624 MTZBXYYMEHRFCZ-UHFFFAOYSA-N 309.325 1.957 0 40 DDAB biogenic CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2)no1 41811180 DJJFGMMBABZVSX-UHFFFAOYSA-N 323.374 1.011 0 40 DDAB COC[C@H](C)NC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 6738528 RHFHOEDNWKOTSK-BONVTDFDSA-N 322.361 1.348 0 40 DDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccccc1 7983664 GDRJBAKTNZQKMI-UHFFFAOYSA-N 306.343 1.400 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 23041087 OZFDPYPSWQPBRS-UHFFFAOYSA-N 322.430 1.628 0 40 DDAB COc1ccccc1N1CCN(C(=O)CCn2cccn2)CC1 54454727 RIYAMTOUVMEYHS-UHFFFAOYSA-N 314.389 1.631 0 40 DDAB CN([C@H]1CCNC1)S(=O)(=O)c1ccccc1C(F)(F)F 37539420 SPVDIEVAXGZPGY-VIFPVBQESA-N 308.325 1.688 0 40 DDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccsc2)C1=O 24497474 DXLDIGHBZGWBOT-HNNXBMFYSA-N 315.354 1.860 0 40 DDAB Cn1nc(C(=O)NCc2nc3ccccc3s2)ccc1=O 43007718 NQTXSONQPIUCEK-UHFFFAOYSA-N 300.343 1.320 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CC=CC1 108101269 CJICLVIFDSFFMB-BYNSBNAKSA-N 314.385 1.266 0 40 DDAB COCCCNC(=O)CN(C)Cc1coc(-c2ccccc2)n1 57627208 IFZDAKWURDNQMT-UHFFFAOYSA-N 317.389 1.926 0 40 DDAB S=C(NCCN1CCOCC1)N1CCC[C@@H]2CCCC[C@@H]21 57766971 NAEAYZQUIQLPND-GJZGRUSLSA-N 311.495 1.848 0 40 DDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C)no2)c1 57823586 GGEXUYWIHHTORV-UHFFFAOYSA-N 310.331 1.735 0 40 DDAB CN(C)Cc1cccc(Cn2c(=O)[nH]c3ccccc3c2=O)c1 58023026 WCJYUIURJSUQRJ-UHFFFAOYSA-N 309.369 1.800 0 40 DDAB Cc1cccc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 108533838 XAVOZDZCXLAGLK-IRXDYDNUSA-N 315.417 1.715 0 40 DDAB Cc1cc(NC(=O)CSCC(=O)Nc2ncccc2C)no1 27650481 UXTFDLPZEIBYHM-UHFFFAOYSA-N 320.374 1.997 0 40 DDAB CCN(C(=O)CN1CCN(Cc2ccccn2)CC1)C1CC1 48057763 KDAXRXXCPFTIFG-UHFFFAOYSA-N 302.422 1.210 0 40 DDAB Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c(C(=O)O)c1 58340950 QBJQFTOTEPYYIR-UHFFFAOYSA-N 324.314 1.520 0 40 DDAB O=C(CCn1cccn1)NCCOc1ccc2c(c1)OCO2 48237347 IJJVINUMDBBYLT-UHFFFAOYSA-N 303.318 1.197 0 40 DDAB O=C(CN1CSCC1=O)NCc1cnn(-c2ccccc2)c1 12737377 PEESUSQPOQAOLS-UHFFFAOYSA-N 316.386 1.021 0 40 DDAB O[C@H]1C[C@](CNCC2CCCC2)(COc2cccnc2)C[C@H]1O 107283862 YBVSNPIJNBAHBS-BCDXTJNWSA-N 320.433 1.742 0 40 DDAB biogenic,in-vitro CC(C)CN1C[C@@H](C(=O)NCc2nc3ccccc3[nH]2)CC1=O 45881758 UBXRUTPOQJRELV-LBPRGKRZSA-N 314.389 1.684 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 20134367 OQYORGJQEVZHRV-UHFFFAOYSA-N 321.782 1.834 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C1CC1 23111347 HPQWLASRESVLPD-DOMZBBRYSA-N 322.430 1.754 0 40 DDAB Cn1nc(C(=O)N2CCc3ccccc3C2)cc1NC(=O)C1CC1 46089157 CWLHWSHNLXVUON-UHFFFAOYSA-N 324.384 1.967 0 40 DDAB CC(C)CNC(=O)NC(=O)COc1ncnc2sccc12 3358428 NSHQIBBAJXSWAN-UHFFFAOYSA-N 308.363 1.552 0 40 DDAB COc1ccc(CCNC(=O)CSc2ncccn2)cc1 3360852 BCLPUCBLJHBTHZ-UHFFFAOYSA-N 303.387 1.936 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)cc1 60363666 KUFWWIAYOMIZTQ-ZDUSSCGKSA-N 311.403 1.769 0 40 DDAB CC(C)n1cnnc1S(=O)(=O)[C@@H](C)C(=O)N1CCCCC1 48326378 CASQUAPPTMOHEK-NSHDSACASA-N 314.411 1.034 0 40 DDAB Cc1nn(C)c2ncc(CN[C@@H](C)CN3CCOCC3)cc12 48353491 UJGIBLXEHZKGPL-LBPRGKRZSA-N 303.410 1.087 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(C3CC3)s1)CS2 12885806 OPDMNOHYSSDYAH-OQPBUACISA-N 324.431 1.808 0 40 DDAB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1cnn(C)c1 48439609 OOKLDWYQBSEZEE-UHFFFAOYSA-N 323.374 1.027 0 40 DDAB Cc1ccc(NC(=O)CN(C)Cc2nc(C)ccc2O)nc1 92761089 QKYIFCLONODQPQ-UHFFFAOYSA-N 300.362 1.870 0 40 DDAB COc1cn(C)c(C(=O)NCc2cccc(Cl)c2)cc1=O 71281640 XYDLHAUJJIGFFJ-UHFFFAOYSA-N 306.749 1.977 0 40 DDAB Cc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1 6223785 PKJLHMZZCQLYSG-UHFFFAOYSA-N 300.409 1.707 0 40 DDAB Cc1ncc2c(c1O)[C@@H](c1c(O)[nH]c(=S)n(C)c1=O)OC2 9190210 HUBZMKDAYLEDJC-JTQLQIEISA-N 307.331 1.177 0 40 DDAB CCCn1nnnc1CN1CCC(c2cnn(CC)c2)CC1 65540359 JBWAJRCBXGKJJH-UHFFFAOYSA-N 303.414 1.679 0 40 DDAB CC(C)[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 65592246 XAZJALYZCPSAPG-CYBMUJFWSA-N 319.405 1.904 0 40 DDAB CNC(=O)CNCc1ccc(OCc2c(C)noc2C)cc1 65536882 SVJQNLQPWKUPJI-UHFFFAOYSA-N 303.362 1.706 0 40 DDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(=O)CC1 14138972 JGHARVSLPBYUTM-GFCCVEGCSA-N 324.402 1.323 0 40 DDAB COc1ccc(NC(=O)c2cc(Cl)nc(=O)[nH]2)cc1OC 14134825 QFWBIAMYDQWOHW-UHFFFAOYSA-N 309.709 1.693 0 40 DDAB CN(C1CCN(C(=O)C[C@@H]2C=CCC2)CC1)S(C)(=O)=O 65738941 SRIAQGSNJSEULO-GFCCVEGCSA-N 300.424 1.225 0 40 DDAB O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)NC1CC1 6640021 ATBWKQPVVYRLDB-UHFFFAOYSA-N 316.357 1.861 0 40 DDAB Cc1ccc2oc(C(=O)NC[C@]3(O)CCCNCC3)cc2c1 72124029 NQYLDCZNOSDPFM-KRWDZBQOSA-N 302.374 1.976 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(N)=O)cc2)o1 84195076 IKYVGCJRFIEWEB-NSHDSACASA-N 302.330 1.943 0 40 DDAB CNC(=O)NC(=O)[C@H](C)OC(=O)COc1cc(C)cc(C)c1 7794037 MZMCUGLWQBOORC-NSHDSACASA-N 308.334 1.070 0 40 DDAB COc1ccc([C@H](NC(=O)Cn2cnnn2)c2ccccc2)cc1 7989159 RZJZIJUNDLCJNB-QGZVFWFLSA-N 323.356 1.588 0 40 DDAB NC(=O)c1cc(NC(=O)CCc2cccs2)cc(C(N)=O)c1 8076486 OZUVHAFRVRUTNO-UHFFFAOYSA-N 317.370 1.517 0 40 DDAB NC(=O)[C@H](NC(=O)c1cc(Br)c[nH]1)c1ccccc1 71793246 BFWVQPDCXKVYDG-LLVKDONJSA-N 322.162 1.734 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@@H]1C1OCCO1 69292841 BYCSFYDKLNSXIR-VXGBXAGGSA-N 322.361 1.152 0 40 DDAB CN(c1ncnc2c1cnn2C)[C@H]1CCCN(c2cccnn2)C1 70006717 VTHHORYZMXOWPF-LBPRGKRZSA-N 324.392 1.259 0 40 DDAB CCn1nnnc1SCC(=O)Nc1ccnn1C1CCCC1 8314925 FDIWMVSNAMZCMY-UHFFFAOYSA-N 321.410 1.735 0 40 DDAB C[C@@H]1CN(CCCc2nnnn2-c2ccccc2)C[C@@H](C)O1 69439750 TYJNQVYGBCFECN-ZIAGYGMSSA-N 301.394 1.704 0 40 DDAB C[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)C[C@H](c2ccccc2)O1 71827225 UADNJDHZMWLJRE-SWLSCSKDSA-N 315.373 1.583 0 40 DDAB Cc1nc2ccc(C(=O)NC3(C(N)=O)CCCC3)cc2nc1C 69772718 VLORLLFSSANBDL-UHFFFAOYSA-N 312.373 1.775 0 40 DDAB CN(CCOc1ccccc1)C(=O)CNC(=O)c1ccccc1 18073023 PGXLWCQTXWSJAQ-UHFFFAOYSA-N 312.369 1.954 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)s1 71830373 DJPZNPNJJODFDE-NSHDSACASA-N 307.419 1.940 0 40 DDAB CCCc1noc(CCCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 71829503 RFUSXDQJHVOXIW-RYUDHWBXSA-N 322.409 1.457 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)N1CCOCC1 72253574 UTPVSETZBWFMSF-OAHLLOKOSA-N 320.437 1.423 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)CCc1ccncc1)C2 72279561 ADYWTQKBKHEJLM-UHFFFAOYSA-N 311.389 1.821 0 40 DDAB COCCS(=O)(=O)NCc1ccc(NC(=O)C(C)C)cc1 72230474 INWDWWXLZPVACH-UHFFFAOYSA-N 314.407 1.347 0 40 DDAB Cn1cc(CNCCNc2ncccn2)c(-c2cccnc2)n1 97160038 FQIAHRLXSCNPIH-UHFFFAOYSA-N 309.377 1.474 0 40 DDAB O=C(Cc1ccc(Cl)cc1Br)NC(CO)CO 97374789 MORNTOKQANCDCL-UHFFFAOYSA-N 322.586 1.114 0 40 DDAB CCCn1cc(NC(=O)Nc2cnn(-c3ncccn3)c2)cn1 72561501 HZNATGGKYLZXHD-UHFFFAOYSA-N 312.337 1.913 0 40 DDAB O=C(CN1CCOCC1)Nc1ccc(N2CCCC2)c(F)c1 95453114 QPMKDKBVKGIBPY-UHFFFAOYSA-N 307.369 1.697 0 40 DDAB C[C@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)C(=O)O 95425342 RRCDXOXXGJBCHT-QMMMGPOBSA-N 305.252 1.968 0 40 DDAB Cc1noc(CN2CCN(C(=O)N3[C@@H](C)CCC[C@H]3C)CC2)n1 95984060 JQMICCVVVYTIDJ-BETUJISGSA-N 321.425 1.879 0 40 DDAB O=C(Nc1ccccn1)C(=O)N[C@H](CCCO)c1ccccc1 95942815 FKNYMFUTHUVDPQ-CQSZACIVSA-N 313.357 1.650 0 40 DDAB C[C@H](NCCn1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 89514745 VPTKCNRDSJHPSW-NSHDSACASA-N 311.382 1.777 0 40 DDAB Cc1cc(C)c(CNC(=O)NCc2c(C)noc2C)c(=O)[nH]1 89568557 BYDKSJKWHCEJRU-UHFFFAOYSA-N 304.350 1.596 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ccncc2)CC1 89781108 JREANMVUKOHFGT-MRXNPFEDSA-N 314.364 1.569 0 40 DDAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(C)C[C@H]2C)c1 89937697 JASKZYHHSZCAON-OQHXTRMZSA-N 304.390 1.880 0 40 DDAB CN1CCN([C@H](C(=O)NCc2ccncc2)c2ccccc2)CC1 68510327 QSCAYSHIEOWUPY-SFHVURJKSA-N 324.428 1.687 0 40 DDAB Cc1cc(-n2cc(C(=O)N3CCN(C)CC3)nn2)ccc1F 67263119 NKZRTFQJNLXFGD-UHFFFAOYSA-N 303.341 1.102 0 40 DDAB COc1ccc(CC(=O)Nc2c[nH]nc2[C@H]2CCNC2)cc1 1549742081 CVRYLSWCXYIWSN-LBPRGKRZSA-N 300.362 1.676 0 40 DDAB Cc1nn(C)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12 32501901 VFNSELCBHZBPKG-UHFFFAOYSA-N 322.416 1.994 0 40 DDAB Cn1nc(CNC(=O)N2C[C@@H]3CC[C@@]3(N)C2)cc1C(F)(F)F 1553536968 HCRXTKUIWQWQNT-QPUJVOFHSA-N 317.315 1.072 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1CCCc1nc2ccccc2o1 188610707 YEZVWMVFHDGFOY-WCQYABFASA-N 304.346 1.369 0 40 DDAB O=C([C@H]1C[C@@H]1c1cccnc1)N1CCCN(c2ncccn2)CC1 79000164 PYZQYUBBJSRFKZ-CVEARBPZSA-N 323.400 1.714 0 40 DDAB Cc1cnn(CCNCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 70008362 CWHJUQCOVMPBEJ-HOTGVXAUSA-N 304.438 1.962 0 40 DDAB CC(=O)c1cccc(OCc2ncc(CC(=O)O)c(=O)[nH]2)c1 217386838 NHGOFXXYFMXCNN-UHFFFAOYSA-N 302.286 1.179 0 40 DDAB CCn1c2cc(C)oc2c2cnn(CC(=O)N(C)C)c(=O)c21 72335353 VKTRQPMIJYGVBQ-UHFFFAOYSA-N 302.334 1.361 0 40 DDAB CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCN(C)C1=O 83232461 ASFVKPZTWNPEBF-NSHDSACASA-N 322.434 1.394 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCCc2cc(C(C)C)ccc21 83068105 SLICHLWUHRHPTL-UHFFFAOYSA-N 310.419 1.638 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225407626 XHUPVKVROUVSKK-JTNHKYCSSA-N 308.403 1.513 0 40 DDAB COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1[C@H](C)O 225432444 DRPYDHQFXVATDP-JTQLQIEISA-N 320.345 1.780 0 40 DDAB biogenic,in-vitro C[C@@H](NC(=O)c1cscn1)C1(N2CCOCC2)CCCC1 81741193 DIXSFQQPBSYLJY-GFCCVEGCSA-N 309.435 1.906 0 40 DDAB O=C1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1CC1CC1 96054257 MOCCRGTUYBKBPM-HZPDHXFCSA-N 304.365 1.647 0 40 DDAB Cc1ccc(-n2cccc2)c(C(=O)N(C)CC(C)(CO)CO)c1 195556854 OCNGOIZABYBUFN-UHFFFAOYSA-N 316.401 1.849 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CCC4)O[C@@H]3C2)nn1 96066200 OYPZYFFGLAQLTQ-AEGPPILISA-N 316.405 1.438 0 40 DDAB O=C(NCc1cnc2n1CCN(Cc1cccnc1)C2)C1CC1 96061928 DEYRDCVJJYMVKC-UHFFFAOYSA-N 311.389 1.320 0 40 DDAB O=C(NC1CC1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 96073778 LCCKUAJWLRPHBQ-CJNGLKHVSA-N 317.393 1.384 0 40 DDAB Cc1cc(O)cc(=O)n1CCC(=O)Nc1nnc(C2CC2)s1 95479335 RCTAYFBLKYQYHR-UHFFFAOYSA-N 320.374 1.620 0 40 DDAB CCOCC(=O)N1CC[C@]2(CCN2Cc2csc(C)n2)C1 96228680 KNGGMWOCUHJHJR-HNNXBMFYSA-N 309.435 1.665 0 40 DDAB O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)C1CCOCC1 96044386 DVHJRAUEVJYQEG-HNNXBMFYSA-N 319.405 1.450 0 40 DDAB Cn1cc(CN2CC3(CCN(C(=O)c4cscn4)C3)C2)cn1 96046434 KSDQSKWEKKCHOM-UHFFFAOYSA-N 317.418 1.225 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC2CCOCC2)C1 95395179 IGHGGIVICDLGAF-LBPRGKRZSA-N 313.398 1.474 0 40 DDAB Cc1ccc2[nH]cc(C(=O)CN3CCN(CCO)CC3)c2c1 96793137 ZPZLZDZJAAUSBP-UHFFFAOYSA-N 301.390 1.269 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1 96043235 JZLFVIGFEHWLGX-IMJJTQAJSA-N 301.390 1.340 0 40 DDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(c3ncc(F)cn3)C2)n1 96064924 HRHPLTKRTXVEOL-YUSALJHKSA-N 305.313 1.459 0 40 DDAB Cc1oc2c(c1C(=O)N1C[C@@H](O)[C@H](N3CCCC3)C1)CCCC2 257232827 GMOSOGXCVNZGGB-HUUCEWRRSA-N 318.417 1.748 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cc(F)cc(F)c1 257344208 ZWDZYMKFFQJUQX-INIZCTEOSA-N 318.327 1.731 0 40 DDAB Cc1c(CCC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cnn1C 257249726 JJNIOKBYQVQPBT-AWEZNQCLSA-N 315.421 1.866 0 40 DDAB Cc1nccc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)n1 257328341 XFFBDWAABILYDA-AWEZNQCLSA-N 313.405 1.857 0 40 DDAB CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)C[C@@H](C)OC 253432863 OXCUVJGHNAOJTQ-OLZOCXBDSA-N 315.439 1.795 0 40 DDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O 252516398 SIPZRJFTSGPMSX-UMVBOHGHSA-N 311.403 1.014 0 40 DDAB Cc1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)s1 257203233 APDSSQZOQRZWKX-JHJVBQTASA-N 320.418 1.793 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257288357 PTXKVLZFYPFIPN-HNNXBMFYSA-N 316.361 1.532 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CCC1CCCC1 257212452 CDLONVJLXQFJKJ-KRWDZBQOSA-N 316.405 1.750 0 40 DDAB O=C(C1CCC1)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575405330 RKSUFQUHGULLQZ-AWEZNQCLSA-N 318.377 1.121 0 40 DDAB C[C@H]1C[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn21 663126455 UWKYFWLBBYPAPV-CABZTGNLSA-N 316.317 1.177 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccccc1C 585094754 KQSHNAPPYAAQNR-OAHLLOKOSA-N 313.401 1.871 0 40 DDAB O=C(NCC1(O)CCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 44158448 IYQNEZYOWCZFHE-CYBMUJFWSA-N 302.374 1.461 0 40 DDAB CN(CC(N)=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 52832150 JJCWTVUTGBIJGD-UHFFFAOYSA-N 321.396 1.171 0 40 DDAB CCCC(=O)N1CCC(C(=O)NCCNc2ncccn2)CC1 56443546 WVXWZPAAGQGYQO-UHFFFAOYSA-N 319.409 1.043 0 40 DDAB Cc1cc([C@@H]2CCCN2S(=O)(=O)c2c(C)nn(C)c2C)on1 53667223 JBTFHMCQFGOROL-LBPRGKRZSA-N 324.406 1.859 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCn2cncn2)C1 84636463 LSTKAHWSIVAWBZ-UONOGXRCSA-N 323.441 1.903 0 40 DDAB C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@@H](C)c1ccsc1 84637448 OHEYXDRWSSLAKN-MNOVXSKESA-N 318.464 1.974 0 40 DDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCNS(C)(=O)=O 58344295 JHSPQBUWTQKBSS-FRRDWIJNSA-N 304.456 1.503 0 40 DDAB CCc1nc2n(n1)C[C@H](NCC[S@@](=O)c1ccccc1)CC2 75603595 VYBIHHQXXJYXLN-DMZKTXOQSA-N 318.446 1.553 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)O)C2)c(C)c1 91294151 IHURVVHOAWFZMH-GFCCVEGCSA-N 313.375 1.168 0 40 DDAB C[C@@H](Sc1nnc(N)n1C)C(=O)NCCc1ccc(F)cc1 89478713 XNXLXBAXYLIFKE-SECBINFHSA-N 323.397 1.376 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c1C 40465559 WKXVCKYVQHWMIU-ZDUSSCGKSA-N 320.389 1.682 0 40 DDAB O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc(Cl)nc1 12114814 DPMKBCKTXHJCIH-UHFFFAOYSA-N 314.736 1.845 0 40 DDAB Oc1ccc(-c2n[nH]c(=S)n2CCN2CCOCC2)cc1 13533896 JPQWVAZHWMTJMI-UHFFFAOYSA-N 306.391 1.645 0 40 DDAB Cc1nnc(COC(=O)CCNC(=O)Nc2ccccc2)o1 14067301 SPVDZFZTXMZPIB-UHFFFAOYSA-N 304.306 1.633 0 40 DDAB Cc1[nH]c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2c1C 17635186 SHQOMMHLEVUMML-LBPRGKRZSA-N 306.387 1.702 0 40 DDAB Cc1nc(C)c(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)s1 225787409 RRBMFUUFYVPHNZ-NSHDSACASA-N 318.402 1.141 0 40 DDAB Cc1cccc(C(=O)NC(=S)N2CCC(C(N)=O)CC2)c1 226350257 NFGYXXASWPLMFT-UHFFFAOYSA-N 305.403 1.207 0 40 DDAB CC(C)(C)NC(=O)[C@H]1CCN(CC2CCS(=O)(=O)CC2)C1 1889073517 HHJPKVIAWUTEHX-ZDUSSCGKSA-N 316.467 1.048 0 40 DDAB O=C(CNC(=O)OCc1ccccc1)NC1(C(=O)O)CCCC1 1724333 DRQREULEFOAECP-UHFFFAOYSA-N 320.345 1.426 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ncnc(C)c1C)[C@@H]2C 1614936783 DFDLGTKSPQJUIK-GFCCVEGCSA-N 315.377 1.653 0 40 DDAB CN1C[C@@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 1565541804 IWCLBPBAOQZRBO-KRWDZBQOSA-N 312.373 1.315 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1ccc2nc(O)[nH]c2c1 585149811 OFXPZRXRQVEZCX-SKDRFNHKSA-N 316.361 1.615 0 40 DDAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)O)n2C)c1 95112 UYDWBBSPDNBHSS-UHFFFAOYSA-N 306.347 1.617 0 40 DDAB COc1cc(CN[C@@H](C(N)=O)c2ccccc2)cc2c1OCO2 51187721 KUTDZYADQJCHPT-OAHLLOKOSA-N 314.341 1.740 0 40 DDAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C=O)CC3)c2c1 20745284 HZSZNLAWNXXVQE-OAHLLOKOSA-N 301.346 1.376 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)NCCOc2cccc(F)c2)C1 32914640 XBYHGMDLLQVFAU-ZDUSSCGKSA-N 308.353 1.579 0 40 DDAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F 361392 PCGKHZTZDMCZNE-SNVBAGLBSA-N 300.236 1.842 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1 18266111 GBGQATNOMGAAJF-GFCCVEGCSA-N 312.325 1.551 0 40 DDAB biogenic Cc1cccc2c(CCNC(=O)N[C@H]3CCN(C)C3=O)c[nH]c12 76088558 SUVIMUCOECAWCE-AWEZNQCLSA-N 314.389 1.549 0 40 DDAB CC(=O)N1CCN([C@@H]2CN(Cc3c(C)noc3C)C[C@H]2C)CC1 78896070 HEERQQDDKWXLRG-SJKOYZFVSA-N 320.437 1.276 0 40 DDAB O=C(O)[C@@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 33451396 JZOPIRRCFNZKCY-LBPRGKRZSA-N 305.330 1.466 0 40 DDAB CC1(C)O[C@H]2[C@H]3O[C@@H](c4ccccc4)O[C@@H](CN)[C@H]3O[C@@H]2O1 4801894 WDJTYDGUYHVEBN-JLZCTACVSA-N 307.346 1.304 0 40 DDAB CCCOc1ccc(Cc2c(COCC)[nH]c(=O)[nH]c2=O)cc1 4833181 RUMQUKULDLMIMQ-UHFFFAOYSA-N 318.373 1.979 0 40 DDAB CCOC(=O)CSCC(=O)NC(=O)NC1CCCCC1 7506412 RPSKDVREKUBZQN-UHFFFAOYSA-N 302.396 1.441 0 40 DDAB CCOC(=O)C1=C(COC)Nc2ncnn2[C@@H]1c1cccs1 8476554 ZUWXBACVLJDDJX-GFCCVEGCSA-N 320.374 1.818 0 40 DDAB CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)COc1ccccc1)CCO2 107720462 LDIQMNMBJUQASU-BFYDXBDKSA-N 305.374 1.860 0 40 DDAB Cc1cc(F)c2c(c1)CCCN2C(=O)CN1CSCC1=O 55430491 QIURNYNSSDXRDQ-UHFFFAOYSA-N 308.378 1.946 0 40 DDAB CCN1CC[C@@]2(CCCN(C(=O)C3CCOCC3)CC2)C1=O 108531286 NAZCEAUAVODXBK-QGZVFWFLSA-N 308.422 1.664 0 40 DDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)[nH]n1 108526188 BPKRJIGLBOAVBW-ZDUSSCGKSA-N 306.410 1.434 0 40 DDAB CN1C[C@@H](C(=O)NCCCN(C)c2ccccc2F)CC1=O 55972314 UJTDHIMKWICUAN-LBPRGKRZSA-N 307.369 1.247 0 40 DDAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1)C2 108527691 MXDDOZQEAAGJSQ-MAUKXSAKSA-N 300.402 1.994 0 40 DDAB O=C1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)CN1C1CCCC1 107334680 XGWYKMXQJSVBEX-NUEKZKHPSA-N 320.433 1.948 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@H]1C[C@H](O)CN1 37798087 IBBSDRKHRFMDEZ-CMPLNLGQSA-N 313.195 1.130 0 40 DDAB O=C(NCCc1nccn1Cc1ccccc1)c1ccc[nH]c1=O 26217090 BKMQDEIXQNWZTG-UHFFFAOYSA-N 322.368 1.592 0 40 DDAB CSc1ncccc1C(=O)OCC(=O)NCc1ccco1 3219546 RWDPMBSSXSVULA-UHFFFAOYSA-N 306.343 1.870 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1ccccn1 44889796 DTEMOTMXHOLJTP-UHFFFAOYSA-N 313.357 1.895 0 40 DDAB C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)N1CCOCC1 44896272 MJIMUTVHGSWLSR-JTQLQIEISA-N 320.361 1.535 0 40 DDAB O=C(NCc1ccc(-n2cccn2)nc1)c1cc(C2CC2)[nH]n1 44858316 CBZBRJDQSAZWRZ-UHFFFAOYSA-N 308.345 1.798 0 40 DDAB Cc1nc(CCNC(=O)NCc2ccc(N(C)C)nc2)cs1 44953644 QDYJTVIWCVYBJD-UHFFFAOYSA-N 319.434 1.954 0 40 DDAB O=C(CS(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCO1 44948371 FVKYZHSTIBQHQD-VIFPVBQESA-N 319.329 1.034 0 40 DDAB O[C@@H](CNCc1nnc2ccccn12)c1ccc2c(c1)OCO2 44974218 FPFIYEARDZYHTL-LBPRGKRZSA-N 312.329 1.281 0 40 DDAB COCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 45586657 KGAGZFWVXPEEOP-CQSZACIVSA-N 320.368 1.984 0 40 DDAB COCCOCC(=O)NCc1ccc(Br)s1 45526247 WDAJJBAPUDGOHS-UHFFFAOYSA-N 308.197 1.790 0 40 DDAB O=C(NC[C@@H]1OCCc2sccc21)N[C@H]1C[C@H]2CC[C@H]1O2 110681582 BAJZCCMFTQRFRA-MGAJPHDKSA-N 308.403 1.981 0 40 DDAB C[C@H]1CCCCN1Cc1ccc(NC(=O)Cn2cnnn2)cc1 59767084 HTNNZRHUPIIMHH-ZDUSSCGKSA-N 314.393 1.686 0 40 DDAB Cc1cc(NC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)no1 12872125 YMCPKJZDOUUPLK-RYUDHWBXSA-N 310.398 1.992 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CC(=O)N(C)C1 46181315 UHFWAFFIHXTYET-ZDUSSCGKSA-N 312.373 1.906 0 40 DDAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](C)OC[C@@H]2C)cc1 29721033 SFXLLTRACKWNQO-WOSRLPQWSA-N 322.405 1.494 0 40 DDAB CCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 8746785 BZBNZWXLPPIGPX-UHFFFAOYSA-N 319.405 1.708 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc2ccccc2n1 3523565 QEMWURLJSDKKTR-UHFFFAOYSA-N 315.329 1.626 0 40 DDAB Cn1cc(CCNCc2ccc(-n3cncn3)c(F)c2)cn1 48784667 TYWWBJSPENKNOP-UHFFFAOYSA-N 300.341 1.472 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCc1cccnc1N(C)C 49160192 PCEMQSSQEGCOAW-GFCCVEGCSA-N 302.382 1.232 0 40 DDAB O=C1OCC[C@@H]1N1CCN(C(=O)Cc2ccccc2Cl)CC1 71830909 BLUMFSATRCVGPA-AWEZNQCLSA-N 322.792 1.342 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCc1cccs1 71875422 HTPWLNKMMPOOJP-ZDUSSCGKSA-N 304.419 1.725 0 40 DDAB Cc1cc(C)n(C2CN(C[C@@H](O)CN3CCC(C)CC3)C2)n1 71880792 GUAFYPQAJMKEIZ-KRWDZBQOSA-N 306.454 1.449 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C1 71144634 QXKOMGSTTXZIJA-NSHDSACASA-N 302.827 1.878 0 40 DDAB CNC(=O)Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71284987 QUYPKXORQOBTNJ-OLZOCXBDSA-N 304.346 1.270 0 40 DDAB CC[C@@H](C)NC(=O)NCc1ccc(OCC(N)=O)c(OC)c1 65537250 XHVRTVWLACNZPM-SNVBAGLBSA-N 309.366 1.157 0 40 DDAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)nc1)n1cncn1 65575006 JSZCEHOSIUZROU-LBPRGKRZSA-N 300.366 1.863 0 40 DDAB CCCn1nc(C(=O)Nc2ccn(C)n2)c2ccccc2c1=O 14181942 ITILPBCFJZXCEC-UHFFFAOYSA-N 311.345 1.792 0 40 DDAB Cc1oc(-c2cccs2)nc1C(=O)N1CCNC(=O)CC1 65902184 YBWQJBSYRLJKLX-UHFFFAOYSA-N 305.359 1.674 0 40 DDAB Cn1ncc2c(Nc3ccc(N4CCOCC4)nc3)ncnc21 14316912 GEIIXNIVORXDON-UHFFFAOYSA-N 311.349 1.339 0 40 DDAB COc1cccc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C)c1 66657570 LXFTUBIEDWPPEI-CYBMUJFWSA-N 308.403 1.227 0 40 DDAB COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N)n2)c1 6858453 XACQCJGDGYMHKB-UHFFFAOYSA-N 309.351 1.135 0 40 DDAB Cn1ccnc1CN1CCO[C@@H]2[C@@H](Cn3ccnc3)CC[C@H]21 306132840 LTZMMCAFHJEVIP-IIAWOOMASA-N 301.394 1.296 0 40 DDAB CC1CCN([C@H](C)CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 67272311 PMJNVGLYRJQOCM-ZIAGYGMSSA-N 316.467 1.048 0 40 DDAB CN(C)C(=O)Cn1nnc(-c2ccc(Br)cc2)n1 7148607 QTQBEECMLLHRQJ-UHFFFAOYSA-N 310.155 1.191 0 40 DDAB O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@@H](n2cccn2)C1 71924416 UTCVLDUGXVRBIP-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)N[C@H](C)C2)cc1F 70076641 VHHYLUWOSWPORF-AOOOYVTPSA-N 302.371 1.205 0 40 DDAB CN1CCN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 70006630 DZOXQFWGEJYJDF-LBPRGKRZSA-N 313.467 1.098 0 40 DDAB CCc1nnc(CN2CCN([C@H](C)c3nc(C)no3)CC2)o1 69391290 BYMUIXJIGRBVAF-SNVBAGLBSA-N 306.370 1.202 0 40 DDAB Cc1cccnc1[C@@H](NCC(=O)NC1CCOCC1)C(C)C 96424412 ZYNYKQJNTNGGCW-INIZCTEOSA-N 305.422 1.972 0 40 DDAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCNC(=O)C1 9515346 IFALSUHFJIKCBR-QMMMGPOBSA-N 316.188 1.752 0 40 DDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1nccs1 69662614 RHKCIWVEZKORCD-LLVKDONJSA-N 306.395 1.085 0 40 DDAB Cc1cnn(CCNc2ncnc3c2nnn3-c2ccccc2)c1 69743023 JVILVHVMGAZQRT-UHFFFAOYSA-N 320.360 1.828 0 40 DDAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)c1 17969137 ZHADELHEEBLNII-UHFFFAOYSA-N 315.329 1.094 0 40 DDAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 8656843 INKBHYRGEPGOHA-UHFFFAOYSA-N 323.356 1.590 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCC[C@H](Cn2cncn2)C1 69872318 YUFBQJYPDJNMGW-JKSUJKDBSA-N 316.405 1.430 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)CN(C)c2cnccn2)C1 69872656 PFRSPYWCGCEGIR-AWEZNQCLSA-N 314.393 1.281 0 40 DDAB CCc1ncc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1 72269431 BDVHVWKZZPOVPW-NWDGAFQWSA-N 309.435 1.377 0 40 DDAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](n2cncn2)C1 72293514 CROAOMRLUYFBCB-HIFRSBDPSA-N 316.336 1.584 0 40 DDAB Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1F 72269135 PTCAYTNLFNUEDV-JKSUJKDBSA-N 306.381 1.805 0 40 DDAB CCOC(=O)[C@H](CC)N1CCN(Cc2noc(C3CC3)n2)CC1 72296288 NSUAGTQXUNBFRI-ZDUSSCGKSA-N 322.409 1.406 0 40 DDAB NC(=O)c1ccc2c(c1)CCCN2C(=O)CC[C@@H]1CCOC1 97101431 JVRVJCOUVSPZIU-GFCCVEGCSA-N 302.374 1.881 0 40 DDAB COC(=O)CN1CCCN(C[C@@H]2CCc3ccccc3C2)CC1 97238537 UHOINCGHZOFNHZ-MRXNPFEDSA-N 316.445 1.972 0 40 DDAB Cn1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1=O 84321681 ZRJPIOKGDUOLHR-UHFFFAOYSA-N 318.421 1.914 0 40 DDAB CC(=O)NCCNC(=O)N[C@H]1CCC[C@H]1Oc1ccccc1 95396230 IIXUHLYKKVQIFS-LSDHHAIUSA-N 305.378 1.422 0 40 DDAB Cc1nc(S(=O)(=O)N[C@@H](C)C[C@H](O)c2ccco2)cn1C 95462045 MSKFHHGSDYZZBS-ONGXEEELSA-N 313.379 1.112 0 40 DDAB O=c1ccnc2sc(N3CCCC[C@@H]3c3cn[nH]c3)nn12 95407836 AIMMGRZFMWALFP-SNVBAGLBSA-N 302.363 1.606 0 40 DDAB CN(C)c1nccc(CNC(=O)Cc2cn(C)c3ccccc23)n1 95463230 KRLDLRFEASNZIY-UHFFFAOYSA-N 323.400 1.893 0 40 DDAB CCN(CC)C(=O)N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 95407276 OANZTUSFCCEUNR-HNNXBMFYSA-N 324.469 1.465 0 40 DDAB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@H](NC(N)=O)C1 95447671 GBKJMZBUPHIJEL-JQWIXIFHSA-N 308.357 1.204 0 40 DDAB O=C(NCCC1=CCOCC1)N[C@H]1c2ccccc2C[C@@H]1O 95437050 RCTOZJPVNSCNQJ-HOTGVXAUSA-N 302.374 1.681 0 40 DDAB C[S@](=O)CCCNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 95450400 RJPSOUZWMVVLQA-JEOXALJRSA-N 324.229 1.912 0 40 DDAB Cc1cc(F)c(S(=O)(=O)N(C)CCn2cccn2)cc1F 95966687 LMXCDMNJMXRSCB-UHFFFAOYSA-N 315.345 1.790 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1C[C@H]1C 75121641 JIKBGTHGZCMZQK-PWSUYJOCSA-N 312.373 1.455 0 40 DDAB CO[C@H](C)c1noc(Cn2cnc3sc(C)cc3c2=O)n1 89695057 DSVPYMAIXFOBPV-MRVPVSSYSA-N 306.347 1.905 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C(C)C)n[nH]1)CC2 89986412 MITXHXCMYNCZDY-LSDHHAIUSA-N 321.421 1.925 0 40 DDAB C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 75606707 MVUWXAWGSHVUBQ-GOEBONIOSA-N 315.417 1.246 0 40 DDAB Cc1cccc(CN2CCN(c3nccn4ccnc34)CC2)n1 306140203 UMWYQSLROGNPQH-UHFFFAOYSA-N 308.389 1.755 0 40 DDAB Cn1c(CO)nnc1SCc1ccc2c(c1)OC(F)(F)O2 505734088 QTCOEXMZPOQVFW-UHFFFAOYSA-N 315.301 1.921 0 40 DDAB CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(CCO)C2=O 35326738 GRDWPSIBHLNTPO-CYBMUJFWSA-N 321.764 1.125 0 40 DDAB O=C(CNc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 32187410 VOEBDHADOPALDP-SECBINFHSA-N 302.783 1.055 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1csc(-c2ccccn2)n1 61622789 HSHDEIIDNWDQIX-UHFFFAOYSA-N 318.402 1.803 0 40 DDAB COC(=O)C1=C[C@@H]2CN(Cc3ccccc3)CC[C@@H]2NC1=O 72415080 TUJSMDKSPQSKRJ-HIFRSBDPSA-N 300.358 1.106 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)COC 218463126 HVXSZJKHIWFJJU-MGPQQGTHSA-N 317.838 1.832 0 40 DDAB CN1CCC[C@@H](CNS(=O)(=O)N(C)C)[C@@H]1c1ccccc1 79097901 INLUIUPHYARMME-GJZGRUSLSA-N 311.451 1.466 0 40 DDAB COC(=O)CCNC(=O)CCCNC(=O)c1ccc(C)cc1 41157407 DXEUTTCMLYOGDA-UHFFFAOYSA-N 306.362 1.184 0 40 DDAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCOCC1 40266201 VGJHZBYPYQGQPJ-UHFFFAOYSA-N 315.325 1.691 0 40 DDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCC(C)C)ccc21 222731624 ZANSTNBZHAQCGC-UHFFFAOYSA-N 310.419 1.920 0 40 DDAB CCN1CCC[C@](O)(CN2CCN(c3ccccn3)CC2)C1 46087878 GTOIIZGEQZWFKW-QGZVFWFLSA-N 304.438 1.050 0 40 DDAB Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[nH]2)nc2ccccc12 195567970 ASBSTRALXTZEEU-NSHDSACASA-N 310.361 1.932 0 40 DDAB COCCC(=O)N1CCN(C(=O)C2CCC(F)(F)CC2)CC1 195579276 KVGDXCWZILLINQ-UHFFFAOYSA-N 318.364 1.519 0 40 DDAB Cc1nc(N2CCOCC2)nc2c1CN(C(=O)C(C)C)CC2 96253891 NAMOXIOBOLNWSN-UHFFFAOYSA-N 304.394 1.162 0 40 DDAB 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Cc1cccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c1 100490706 YCOUMGBLPYNIFQ-AYMWWVTDSA-N 301.411 1.969 0 40 DDAB CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2ccsc2n1 31254521 SDFCTVFRQORSNZ-LBPRGKRZSA-N 321.402 1.674 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccccn1 40497668 NGQZSDMGZQKMKX-KGLIPLIRSA-N 311.389 1.965 0 40 DDAB CCNC(=O)CN(CC)C(=O)COCc1cccc(OC)c1 40529944 LRCSUHCOYHBHLF-UHFFFAOYSA-N 308.378 1.196 0 40 DDAB C[C@@H]1CN(C(=O)CNc2ccc(Cl)c(C(N)=O)c2)CCO1 40511205 GHWFCSJIQMEGOD-SECBINFHSA-N 311.769 1.098 0 40 DDAB Cc1c(C)n(CCCO)c2ncn(Cc3cccnc3)c(=N)c12 101400295 NGWCXQBSXDZUGD-UHFFFAOYSA-N 311.389 1.760 0 40 DDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccoc1 101572311 CHWYBGNOJKMNGR-IMIFBBOLSA-N 314.341 1.207 0 40 DDAB CN(C)CC(C)(C)CN/C=C1/C(=O)NC(=O)c2ccccc21 21759322 VMHNPMPEHZPBEP-NTEUORMPSA-N 301.390 1.475 0 40 DDAB CC(=O)N1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 32980192 BSWCCALTORTFBC-UHFFFAOYSA-N 313.357 1.954 0 40 DDAB O=C(NC1CCN(c2ncccn2)CC1)c1cccnc1S 32931413 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COc1ccc([C@@H](C)NC(=O)C(=O)NCc2cccnc2)cc1 4959372 JXLODLSZSYUJRX-GFCCVEGCSA-N 313.357 1.584 0 40 DDAB O=C(CCc1ccncc1)N1CCC[C@H](N2CCNC2=O)C1 71841674 DLUXARXPVIRXIP-AWEZNQCLSA-N 302.378 1.030 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)nn1 71863516 CFQFVEQNKZXOIL-UHFFFAOYSA-N 313.361 1.190 0 40 DDAB COc1ccc(C)cc1N(CC(=O)NC(C)C)S(C)(=O)=O 7036535 QMQDOCKMWSWTRR-UHFFFAOYSA-N 314.407 1.294 0 40 DDAB COC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)cc1 7737234 SYJPSSYHFFHZQK-UHFFFAOYSA-N 321.354 1.748 0 40 DDAB Cc1ccc([C@H](O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1C 71864598 INNUXSQKTQNOAE-JFIYKMOQSA-N 306.450 1.724 0 40 DDAB COc1ccc(Cc2nc(CNC(C)=O)cc(=O)[nH]2)cc1OC 23580695 DVAJACGLZKKLFC-UHFFFAOYSA-N 317.345 1.014 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3ncccc3O)CC2)c1 104920602 UPPHZXDUMOJKAD-UHFFFAOYSA-N 314.345 1.153 0 40 DDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C)no2)C1 105560856 ABUOMMKZNBSIOC-NEPJUHHUSA-N 309.366 1.585 0 40 DDAB NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 47731972 PRZIOYAUXNUFOI-UHFFFAOYSA-N 313.357 1.919 0 40 DDAB COC(=O)C1CCN(C(=O)[C@H](C)Oc2cccc(OC)c2)CC1 20454025 HNQXQZAHRMIOLC-LBPRGKRZSA-N 321.373 1.874 0 40 DDAB O=C(c1ccccc1-n1cnnn1)N1CCc2ccccc2C1 20744921 DCVUBANGYLOEKU-UHFFFAOYSA-N 305.341 1.861 0 40 DDAB CCOc1cccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 106517055 NWDVLQNEYLQIJE-HOCLYGCPSA-N 304.390 1.678 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)CN(CC(N)=O)CC(C)C 26126128 SOWHKNDNMGWRKO-AWEZNQCLSA-N 305.422 1.616 0 40 DDAB CN1C[C@H](C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1=O 108129937 ZRJHADASVYHNIM-BMFZPTHFSA-N 316.401 1.749 0 40 DDAB CCN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 58055644 YSTAJUVWOIMOQZ-UHFFFAOYSA-N 301.390 1.310 0 40 DDAB COC(=O)N1[C@H]2C=CC=C[C@H]1[C@@H]1C=CC=C[C@@H]2N1C(=O)OC 104277676 ULARLSZMOAWMDO-XUXIUFHCSA-N 302.330 1.863 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CC1CCCCC1 44715299 CKZKLDKBIQAWGR-ZFWWWQNUSA-N 309.454 1.611 0 40 DDAB CCC[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 58291933 VKSXEXWLRIHZES-ZDUSSCGKSA-N 321.421 1.733 0 40 DDAB O=C(CCNc1ncccn1)NCc1cccnc1-n1cccn1 48263110 HTJMQAOUIXRMLI-UHFFFAOYSA-N 323.360 1.176 0 40 DDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccncc1 44909971 DHKVCJRGKXCQAP-ZDUSSCGKSA-N 312.377 1.464 0 40 DDAB CCN(CCS(=O)(=O)CCC(N)=O)Cc1cccc(C)c1 58427370 OVYRESBCHKSMBX-UHFFFAOYSA-N 312.435 1.107 0 40 DDAB O=C(CCOc1ccc(F)cc1)NC[C@H]1CCS(=O)(=O)C1 45361956 HDVZPQQVEHDXDW-LLVKDONJSA-N 315.366 1.146 0 40 DDAB CCCCC[C@@H](C)NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C 29432568 QHHWFJXZOGPZOQ-LLVKDONJSA-N 317.393 1.963 0 40 DDAB CCSc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)ccn1 48913275 NFDKKUZVQQKQFE-SNVBAGLBSA-N 314.432 1.358 0 40 DDAB COc1ncccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 49058250 UEDMOIFRUQLGFT-LBPRGKRZSA-N 303.362 1.677 0 40 DDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccon2)C1=O 8987374 UQQKNPUSEOAMAB-OAHLLOKOSA-N 314.301 1.080 0 40 DDAB CCC(=O)OCC[C@@H](COC(=O)CC)OCOC(=O)CC 49582138 LTDCHYWWHJBKKM-NSHDSACASA-N 304.339 1.579 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)[nH]cnc2c1 71280246 FLWCCITXBUBYSR-UHFFFAOYSA-N 323.308 1.582 0 40 DDAB CCN(CC(=O)N[C@@H](C)c1ccccc1)C[C@H](C)C(=O)OC 65564746 WWBWRFHOSSSJKS-KBPBESRZSA-N 306.406 1.995 0 40 DDAB COc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 14137782 KRTFXCLRAYYVRP-SNVBAGLBSA-N 323.370 1.667 0 40 DDAB O=C(O)C[S@](=O)CC(=O)Nc1ccc(Cl)cc1Cl 5511591 WNTIKQJCPFTHAW-SFHVURJKSA-N 310.158 1.765 0 40 DDAB O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 4731383 OTXQVQFARWTDCU-WSKFYRRCSA-N 318.329 1.175 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCc3c(F)ccc(F)c3C2)c1 84024078 DHLUKVCWFNVZCC-UHFFFAOYSA-N 313.329 1.445 0 40 DDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[C@H](O)c1ccccc1 9722343 CUAKVJMOKCGKOJ-HOTGVXAUSA-N 310.353 1.883 0 40 DDAB O=C(CCCn1cccn1)N1CCCN(c2cccnn2)CC1 70021834 HKDZCHIWLMHIFW-UHFFFAOYSA-N 314.393 1.192 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@H](n2cccn2)C1 69348488 WWVOSWNKCVXYST-ZDUSSCGKSA-N 323.356 1.368 0 40 DDAB Nc1ccc2c(NCc3nncn3-c3ccccc3)ncnc2n1 91429849 SPRMWAYLONDNBL-UHFFFAOYSA-N 318.344 1.800 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2CCCC2)c(OC)c1 8395497 XIHIENKVMOJBBW-ZDUSSCGKSA-N 309.362 1.317 0 40 DDAB COc1ccccc1NC(=O)c1ccccc1OCC(N)=O 8328629 QTHORCCAWKHEIA-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc(Cl)c1 69416032 FIISJEGLUMOVPM-WDEREUQCSA-N 309.797 1.864 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(C)c2ccccc2C1 69610999 KAJCUJUBSNRBLB-UHFFFAOYSA-N 313.405 1.917 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)no1 72232299 OSHUNDGZGMYNIY-LLVKDONJSA-N 301.350 1.998 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)NC[C@@H](OC)c1ccccc1 72270059 RKKMUBNBKZEOJW-ZIAGYGMSSA-N 305.378 1.294 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCOCC1 97142583 RWRIVGVRJZMVFJ-PBHICJAKSA-N 317.433 1.985 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 97106995 CLXJIJIBRWIZSW-LLVKDONJSA-N 311.341 1.940 0 40 DDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccncc1 72403442 JJHGZSWOHNBHAM-UHFFFAOYSA-N 310.313 1.444 0 40 DDAB COc1cc(-c2nc(C3CCNCC3)n[nH]2)cc(OC)c1OC 64875536 KTCSEKQFCBJBSF-UHFFFAOYSA-N 318.377 1.965 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCc1ccc(F)cc1 72807787 VMQREHHBEXQZOX-UHFFFAOYSA-N 315.348 1.578 0 40 DDAB C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)C[C@@H](C(=O)O)O1 95991958 QPRVVFPQPKNFQW-MFKMUULPSA-N 311.765 1.973 0 40 DDAB CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C(=O)O 95973612 WKBFSZKPTCQDGZ-GHMZBOCLSA-N 312.391 1.627 0 40 DDAB CN(CCN1CCOCC1)C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 89346223 VFPLBHFGMIJKTK-CVEARBPZSA-N 321.396 1.655 0 40 DDAB C[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1cccs1 86402037 GXXFQSMXTBVMBV-LLVKDONJSA-N 319.434 1.931 0 40 DDAB CC(C)S(=O)(=O)CCCn1cc(Br)ccc1=O 89890972 VNIDOBCPURXPPA-UHFFFAOYSA-N 322.224 1.824 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@H](O)Cn1cccn1 75605727 YJFLVBKPJCYARX-STQMWFEESA-N 323.828 1.776 0 40 DDAB CCS(=O)(=O)N1C[C@H]2CC[C@](O)(c3ccc(C)cc3)[C@H]2C1 72340405 AEUPUGIKJXLKCA-KBMXLJTQSA-N 309.431 1.874 0 40 DDAB CCS(=O)(=O)[C@@H]1CC[C@](CN)(NC(=O)OC(C)(C)C)C1 217948271 DHSJUDWNALRYAX-MFKMUULPSA-N 306.428 1.196 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2ccc3[nH]ccc3c2)CCO1 72379920 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CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@H]1C[C@H]1c1cccnc1 195570112 CFKUPICETBESGQ-KBPBESRZSA-N 324.446 1.857 0 40 DDAB O=C1CN(C(=O)C2(c3ccccc3F)CC2)CCN1C1CC1 96450183 FLGGQHRTXIGLMM-UHFFFAOYSA-N 302.349 1.691 0 40 DDAB O=C(C1CC1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1 96216722 KBPSMOIUWFFYDB-CYBMUJFWSA-N 302.378 1.387 0 40 DDAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCCC2)cc1 145969588 VSDQQAYMUQESNE-UHFFFAOYSA-N 310.419 1.676 0 40 DDAB O=C1CN(C(=O)NC2C[C@H]3C[C@@H]3C2)CN1CCC(F)(F)F 333406741 OYTBZNUCEVFNLT-RKDXNWHRSA-N 305.300 1.549 0 40 DDAB Cc1cc(N2CC[C@H](Nc3cnn(CC(F)F)c3)C2=O)n(C)n1 97377331 WLVLLWTZAVOREQ-NSHDSACASA-N 324.335 1.408 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@@H]12 96251870 BQTTZAZDUKQHSQ-SJLPKXTDSA-N 315.417 1.933 0 40 DDAB Cc1nn(C)c(C)c1C(=O)OCCNC(=O)c1ccccc1 96442826 SJKZFQIBKDUBQA-UHFFFAOYSA-N 301.346 1.624 0 40 DDAB CC(C)N(C)Cc1ncn2c1CN(CC(=O)N(C)C)CCC2 96084614 BUAAFLUEOBFWKH-UHFFFAOYSA-N 307.442 1.017 0 40 DDAB CC(C)OC[C@]12CCCO[C@H]1CCN(S(=O)(=O)N(C)C)C2 96040553 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1.667 0 40 DDAB Cc1nc(-c2cnn(C)c2)n(OCc2ccccc2)c1C(=O)O 575410996 TZLKAUUCZKNXJW-UHFFFAOYSA-N 312.329 1.919 0 40 DDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC2)C1 575403268 GPHKEEIISZEBQL-CQSZACIVSA-N 304.394 1.481 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cncc(C)c1)[C@@H](C)C2 585097170 GIYILILQGZFVEI-LBPRGKRZSA-N 315.377 1.215 0 40 DDAB CO[C@H]1CCCN(Cc2ncc[nH]2)[C@H]1CCC(=O)N1CCCC1 585275732 IWQXYYUUBQGXTR-GJZGRUSLSA-N 320.437 1.792 0 40 DDAB O=C(c1cccnc1S)N1CCN(c2ccncc2)CC1 30881479 CDBKXWSJILLMHH-UHFFFAOYSA-N 300.387 1.728 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](n2ccnc2)C1 69656679 PRGGSFUJJVTLKX-CQSZACIVSA-N 301.394 1.640 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CCO1 72298300 ICTUDPISJDWMJO-NWDGAFQWSA-N 300.380 1.382 0 40 DDAB CC[C@H]1CN(CCC(=O)N2CCCCC2)CCN1C[C@@H](C)O 72279766 DLKCXXKKPXZEDD-CVEARBPZSA-N 311.470 1.166 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](C(=O)O)C1 34720175 ZQPOYKJRBDAWIC-OCCSQVGLSA-N 302.374 1.761 0 40 DDAB C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)c2ccccc2O1 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Cc1cncc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889095483 LHCVQHODWDTSDX-CYBMUJFWSA-N 306.435 1.577 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCC(C(N)=O)CC1)c1cccs1 21334700 JJGMDXRVOUZSNH-LBPRGKRZSA-N 323.418 1.039 0 40 DDAB COc1ccccc1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037981219 ZVLZQNMFDOFLTC-SFHVURJKSA-N 318.417 1.909 0 40 DDAB CC(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 101427049 RQSWIIBJYQKBAX-KRWDZBQOSA-N 310.357 1.559 0 40 DDAB Cc1ccc(=O)n([C@H](C)C(=O)NCCOc2ccc(F)cc2)n1 44395235 OUPQGBDUUKELHD-GFCCVEGCSA-N 319.336 1.447 0 40 DDAB COC(=O)CNC(=O)c1cc(-c2ccco2)nc2onc(C)c12 30695700 BKNNHQGTMIFNOE-UHFFFAOYSA-N 315.285 1.694 0 40 DDAB Cc1ccoc1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 40215879 KAHPCTZVHDHOLX-JTQLQIEISA-N 308.359 1.726 0 40 DDAB Cc1cc(=O)n2ncnc2n1C[C@H](O)c1ccccc1Cl 51319804 NCNFJBCXHBNHPO-LBPRGKRZSA-N 304.737 1.586 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CCCN(c2cnccn2)C1 32778306 ZUCNGCPOZOQCRW-AWEZNQCLSA-N 311.389 1.447 0 40 DDAB CC(=O)Nc1nc(CN2CCN(C(=O)C(C)C)CC2)cs1 41105872 BENXHPPEDBJSTQ-UHFFFAOYSA-N 310.423 1.402 0 40 DDAB C[C@H](c1ccc(F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 21984187 OHMSWUCPAVACTR-SECBINFHSA-N 302.309 1.182 0 40 DDAB O=C1CN(C(=O)CCCc2nc(-c3cccs3)no2)CCN1 33224996 GWUWYFFNYKBEMQ-UHFFFAOYSA-N 320.374 1.079 0 40 DDAB COc1cccc(NC(=O)CCN(C)Cc2cnn(C)c2)c1 76082926 AZGTVYIFKIWJTE-UHFFFAOYSA-N 302.378 1.889 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)c3c(C)noc3C)CCO2)n1 76045293 ZESBXGPHVFLKRD-UFBFGSQYSA-N 319.365 1.422 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCc3ccco3)CCO2)n1 76045985 CPCHZVIPOIDIDE-ZDUSSCGKSA-N 318.377 1.883 0 40 DDAB COCCN1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 78533027 WUVSWNVJNXNCCS-ZDUSSCGKSA-N 316.398 1.215 0 40 DDAB CCSCCC(=O)NC1CCN(C(=O)c2ccncc2)CC1 53352365 QPMDWHOSMZSFDS-UHFFFAOYSA-N 321.446 1.946 0 40 DDAB COc1ccc(N(C(C)=O)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 4435822 ZWGGIYPFEXGIIX-NSHDSACASA-N 311.359 1.367 0 40 DDAB CCCCOCCOCCOC(=O)[C@H](C)OC(=O)OCC 4896002 GNRFUEADAPYBPS-LBPRGKRZSA-N 306.355 1.925 0 40 DDAB COCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)NC(=S)N1 6046935 SWILPJVTJNFWHK-ZDUSSCGKSA-N 322.386 1.288 0 40 DDAB CC(C)N(CCCNC(=O)CCc1ccco1)S(C)(=O)=O 47043375 FFUKZQWDMQZKNQ-UHFFFAOYSA-N 316.423 1.389 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)C(C)C 7641199 VTXYSKURQMWDTO-MRXNPFEDSA-N 317.389 1.913 0 40 DDAB NC(=O)CN(C(=O)[C@@H]1COc2ccccc2O1)C1CCCC1 47236236 UDFLTHFBXAKHRN-AWEZNQCLSA-N 304.346 1.083 0 40 DDAB C[C@H](NC(=O)Nc1nncs1)c1ccc2c(c1)NC(=O)CO2 43127837 MNTSQRYIRUJBTR-ZETCQYMHSA-N 319.346 1.752 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ncon2)cc1N(C)C 95452547 QRIOVXJOJTXDTN-SNVBAGLBSA-N 310.379 1.484 0 40 DDAB CC[C@H]1CN([C@H](C)C(=O)Nc2cc(C)no2)CCN1CCOC 106777170 BPUNOXKRXDWLAQ-KGLIPLIRSA-N 324.425 1.353 0 40 DDAB CC1=NN(c2ccc(C(=O)NC[C@H]3COCCO3)cc2)CC1 55847668 RYOQLTZZRDPLDM-HNNXBMFYSA-N 303.362 1.418 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN(c2cnccn2)CC1 25834213 ZFCQXERLPHCYDX-UHFFFAOYSA-N 301.350 1.298 0 40 DDAB C[C@H](C(=O)NC1CCCCC1)N1CCN(c2ncccn2)CC1 57292131 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COc1ccc(NC(=O)COc2ccc(C(N)=O)cc2)cn1 58357651 MVAHQQQFYKAGLY-UHFFFAOYSA-N 301.302 1.207 0 40 DDAB C[C@@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)S(C)(=O)=O 48126334 ITBSIZAWIHGDKZ-QWHCGFSZSA-N 310.419 1.062 0 40 DDAB C[C@@H]1CCCCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 48235554 RMDPNIWRPHSLEN-LLVKDONJSA-N 312.391 1.114 0 40 DDAB C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48234987 KJSPIIZKROOLSE-SCZZXKLOSA-N 318.345 1.512 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)NC1CCCC1 46106799 NXLNRGSZDXALED-LLVKDONJSA-N 314.407 1.654 0 40 DDAB COC[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1C 3347374 HPDNFPBACYMWAP-LLVKDONJSA-N 321.406 1.214 0 40 DDAB O=S1(=O)CC[C@@H](CNCc2cccc3c2OCCCO3)C1 37996816 NGUNSZGFMIDPGJ-LBPRGKRZSA-N 311.403 1.372 0 40 DDAB Cc1cccc(C)c1NC(=O)N1CCN(S(C)(=O)=O)CC1 48300520 WUMRVQFZYIPRCM-UHFFFAOYSA-N 311.407 1.413 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCN(c2ccc(O)cc2)CC1 48301896 BXAFASYTHQXATA-UHFFFAOYSA-N 301.350 1.147 0 40 DDAB O=C(Nc1cccc2c1CCCC2)N[C@H]1CCS(=O)(=O)C1 48374976 XOVSPWHYFMXHTG-LBPRGKRZSA-N 308.403 1.874 0 40 DDAB Cc1cc(C(=O)NCc2ccco2)nc(N2CCOCC2)n1 71195497 FXWFXXVLEZAZAK-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)n1C 9050309 YEMBEVMXVMSEPG-UHFFFAOYSA-N 310.357 1.842 0 40 DDAB CN1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1 71297200 KLCXZCRYVVQPBS-UHFFFAOYSA-N 316.327 1.676 0 40 DDAB Cc1noc(C)c1Cc1nn2c(-c3cnccn3)nnc2s1 71287830 IVEQUUZBXHRSOE-UHFFFAOYSA-N 313.346 1.838 0 40 DDAB COc1ccc(OC)c(CC(=O)NCCCN2CCOCC2)c1 20447934 DKGFJLHPTSJZJG-UHFFFAOYSA-N 322.405 1.085 0 40 DDAB CN(C)C(=O)COc1cccc(CNCc2cnn(C)c2)c1 97159104 ZXIJULDRSSTNKD-UHFFFAOYSA-N 302.378 1.177 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)Nc2ncc(C(N)=O)s2)cc1 13986558 LAZFEQOKTFFPAM-VIFPVBQESA-N 305.359 1.956 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4nccn4C3)ccc21 65575582 VDBMZFKGQKIJFP-HNNXBMFYSA-N 324.384 1.537 0 40 DDAB Nc1c(Br)c(=O)[nH]c(=O)n1-c1ccccc1F 4742618 ONFZUOGWLNABOR-UHFFFAOYSA-N 300.087 1.010 0 40 DDAB Cc1csc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 97212943 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PMJMQBMSFIJYEB-UHFFFAOYSA-N 312.391 1.738 0 40 DDAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)[C@H]1CCOC1 69774876 GCZMCODHVHURNC-WCQYABFASA-N 324.402 1.176 0 40 DDAB Cc1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)on1 69842498 LHPCJKWVYFUOHY-CYBMUJFWSA-N 317.393 1.998 0 40 DDAB O=C(COC1CCCCC1)N1CCCN(c2cccnn2)CC1 71860346 ACTJDBLOHJRNQG-UHFFFAOYSA-N 318.421 1.865 0 40 DDAB Cn1cnc(CNS(=O)(=O)c2ccccc2C(C)(C)C)n1 92265904 YXBLFAPTNOILFC-UHFFFAOYSA-N 308.407 1.591 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1 71897079 ZMRLZDFWLVJGRB-GXTWGEPZSA-N 314.389 1.746 0 40 DDAB C[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)CC(C)(C)O1 71831200 PRNTVDOQWYZFOZ-LLVKDONJSA-N 301.346 1.334 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCN1c1nccs1 71896080 RPCKBTWPCHNSIX-CHWSQXEVSA-N 309.435 1.997 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C[C@@H]2OCCc3ccsc32)CC1 71871519 YVSUYGLSSDLFFK-OCCSQVGLSA-N 324.446 1.277 0 40 DDAB CCCC(=O)N1CCC(C(=O)N(C)CC2(O)CCCC2)CC1 84739782 PEYSRWRUNPRYMI-UHFFFAOYSA-N 310.438 1.789 0 40 DDAB Cc1cnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nc1 97081338 DSSBGAJBSKBLPO-CQSZACIVSA-N 324.450 1.616 0 40 DDAB Cc1sc(=O)n(CCC(=O)NCC(=O)c2cccs2)c1C 97022581 CSTLNOXOJDPSNZ-UHFFFAOYSA-N 324.427 1.977 0 40 DDAB O=C(Nc1ccc2c(c1)CCO2)c1cn(C2CCNCC2)nn1 95947741 WWDSMFHTDLRLQO-UHFFFAOYSA-N 313.361 1.390 0 40 DDAB COc1cc(C(=O)N2CCC(n3ccnn3)CC2)ccc1F 95979284 CYUAVPIDMLAAOR-UHFFFAOYSA-N 304.325 1.903 0 40 DDAB CN1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75124041 RZFMNAKUOSIXCC-AWEZNQCLSA-N 311.385 1.866 0 40 DDAB O=C(CNC(=O)NCC1(Cc2ccccc2)CCC1)NC1CC1 89830288 MKQDJONTFOMIBT-UHFFFAOYSA-N 315.417 1.977 0 40 DDAB O=C(CCNC[C@H]1CCCN1c1cccnn1)NC1CCCC1 75584866 BJYGFEKLFVFOGJ-OAHLLOKOSA-N 317.437 1.484 0 40 DDAB Cn1cc(CN2C[C@@H]3c4ccccc4S(=O)(=O)[C@H]3C2)cn1 306123731 AUVSNWLEWVWCKG-HIFRSBDPSA-N 303.387 1.175 0 40 DDAB Cc1sc(-n2cnnn2)c(C(=O)NC[C@H]2CCCO2)c1C 524734238 MEJLTQWJGPATPU-SNVBAGLBSA-N 307.379 1.249 0 40 DDAB Cn1c(=O)c(CN[C@@H]2CCc3n[nH]cc3C2)cc2ccccc21 1560408880 BOKPHRAMDXREHM-OAHLLOKOSA-N 308.385 1.909 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2Cl)C1 72369361 ZFADRZWMWYEFSV-VIFPVBQESA-N 304.803 1.116 0 40 DDAB O=C(NC1CCOCC1)[C@H]1CN(c2cccc(Cl)c2)CCO1 72352791 SRCFUDQLPFPRAB-OAHLLOKOSA-N 324.808 1.840 0 40 DDAB COc1ccc(CCNc2ncc(C(=O)O)c(=O)[nH]2)cc1OC 217674517 OEBHZSCPMJSWNH-UHFFFAOYSA-N 319.317 1.140 0 40 DDAB CC(C)(CNc1ccccc1S(=O)(=O)C(F)(F)F)C(N)=O 71955535 VILWOFALJIPNFU-UHFFFAOYSA-N 324.324 1.904 0 40 DDAB Cc1cccc(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 185488343 CQXHUPIEDLXLFT-MRXNPFEDSA-N 318.465 1.820 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)c1nccc2ccccc12 79096073 UDVLQKYPTURHBV-NSHDSACASA-N 306.387 1.788 0 40 DDAB CC(=O)N1CC[C@@H](NC(=O)CCc2ncc[nH]2)c2ccccc21 566756575 QGCNCFDBIWCTSJ-CQSZACIVSA-N 312.373 1.956 0 40 DDAB CCn1cc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)nc1C 317370929 JUVATTRBTQWPMH-UHFFFAOYSA-N 323.374 1.735 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 74946767 DPOZGTXSWGBNCK-UHFFFAOYSA-N 310.325 1.749 0 40 DDAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1 72227163 NWLUDMFVKCUTTK-HOTGVXAUSA-N 312.325 1.839 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NC1CCN(C)CC1)O2 40808745 OMDUSVGHMZQLRF-QGZVFWFLSA-N 317.389 1.295 0 40 DDAB COC(=O)CNC(=O)c1csc(NCc2ccccc2)n1 44892095 DRFRZIGOPCYEFZ-UHFFFAOYSA-N 305.359 1.658 0 40 DDAB Cn1nnc2c(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)ccnc21 329269593 GWWSQTYLCSKICI-GFCCVEGCSA-N 311.349 1.454 0 40 DDAB COc1ccccc1CC(=O)N(CC(=O)O)C1CCOCC1 532004912 RIWMTCDSIBXMSB-UHFFFAOYSA-N 307.346 1.330 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 75157611 ANOIMUKINLULRV-BLLLJJGKSA-N 324.446 1.484 0 40 DDAB C[C@]1(C(=O)NC[C@H]2CCCO2)Oc2ccc(Cl)cc2NC1=O 41550119 PBGPEDGMCZJCAJ-MEBBXXQBSA-N 324.764 1.725 0 40 DDAB Nn1cnc2c(cnn2-c2ccc(-c3ccccc3)cc2)c1=O 85397946 WRKIBSNZFKZPSE-UHFFFAOYSA-N 303.325 1.963 0 40 DDAB Cn1cc(CN2Cc3c(cnn3C)[C@H](COCC3CC3)C2)cn1 96044636 HBILMVLEHUUPKS-HNNXBMFYSA-N 315.421 1.680 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192160 XIIWCTFHUTWGEN-QWHCGFSZSA-N 306.410 1.807 0 40 DDAB Cn1cc(CN2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)cn1 96057604 SXHBIEMBTQEJMR-ARFHVFGLSA-N 318.421 1.022 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2ccnn2C1 96188941 YNBGEUYHYUGBHX-GFCCVEGCSA-N 304.350 1.488 0 40 DDAB Cc1noc([C@H]2CO[C@@H]3CN(C(=O)c4cscn4)C[C@@H]32)n1 96218970 SPXVITBCQAVHCB-WCABBAIRSA-N 306.347 1.089 0 40 DDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C[C@@H]2CCOC2)cs1 96184053 DAPCYYAOVCZVKH-CFVMTHIKSA-N 321.446 1.663 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(C3CCCC3)C[C@@H]12)N1CCCCO1 96038646 WUKQGKDRWZFANN-FVQBIDKESA-N 308.422 1.677 0 40 DDAB CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CCCCC1 98211235 FGVKQIODIHBNRD-UHFFFAOYSA-N 306.410 1.562 0 40 DDAB O=C(c1ccco1)N1CC[C@@H]2[C@H]1CCN2CC1CCOCC1 96184439 WVTXVOZZPFIHRI-HUUCEWRRSA-N 304.390 1.995 0 40 DDAB Cc1noc(C[C@]23COC[C@H]2CN(Cc2nccs2)C3)n1 96208069 AZRYZIQWFLAAGA-RISCZKNCSA-N 306.391 1.526 0 40 DDAB c1cnc(N2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)nc1 96062336 UIRSOPVXDMEQDK-KRWDZBQOSA-N 318.421 1.184 0 40 DDAB CCCS(=O)(=O)N(C)C(=O)c1cnn(-c2ccccc2)c1C 96470573 RTNNQQVTWTXGSO-UHFFFAOYSA-N 321.402 1.993 0 40 DDAB COC(=O)CNC(=O)c1cc(C(C)C)nc(N2CCCCC2)n1 96101128 LQGCVVFQTLNIIO-UHFFFAOYSA-N 320.393 1.493 0 40 DDAB O=S1(=O)CCN(C2CCN(CCC(F)(F)F)CC2)CC1 97094649 DCWBQYYLGNJLMH-UHFFFAOYSA-N 314.373 1.134 0 40 DDAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)o1 96253161 XDXAQTDETDIEKX-OWCLPIDISA-N 304.390 1.800 0 40 DDAB O=C(C1CC1)N1CCOC[C@H]1c1nccc(N2CCCC2)n1 96216720 KBPSMOIUWFFYDB-ZDUSSCGKSA-N 302.378 1.387 0 40 DDAB CNC(=O)[C@@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 333887484 WGGSXTWLNWWKIS-CQSZACIVSA-N 304.390 1.806 0 40 DDAB C[C@H]1CN(c2ccc3nnnn3n2)C[C@H](c2ccsc2)O1 95413879 NONBNNVTFHPXNZ-GXSJLCMTSA-N 302.363 1.547 0 40 DDAB CC(=O)N1CCn2cc(CC(=O)Nc3cccnc3)nc2[C@H]1C 247915023 FOIRBKOSVQVBFP-LLVKDONJSA-N 313.361 1.382 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)n2ncnc2N[C@]1(C)O 248381589 UJUIRZOSFAEDOK-MBNYWOFBSA-N 306.753 1.860 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3cnco3)CCO2)c1 257284241 PBVYDBZLJFUZAA-AWEZNQCLSA-N 302.334 1.633 0 40 DDAB Cc1ccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)c(C)c1 256047343 LZGAQVBVPVOJMR-UHFFFAOYSA-N 315.377 1.334 0 40 DDAB Cc1nn(C)c(C)c1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 257263129 LOOBVFPYHAUMRP-IAGOWNOFSA-N 301.390 1.661 0 40 DDAB O=C(CN1CCCC1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257200593 ADZACOQGMCBCFE-BFYDXBDKSA-N 304.390 1.169 0 40 DDAB CN(C)c1ccnc(N(C)Cc2ccc3c(c2)OCCO3)n1 770442606 BFOAILVQLBHTQI-UHFFFAOYSA-N 300.362 1.950 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cc(C)oc1C)[C@@H](C)C2 585097135 FZUSFHXWSXSMCF-JTQLQIEISA-N 318.377 1.721 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)cn1 48343001 PHHZVHAZFGOJSR-JSGCOSHPSA-N 319.405 1.647 0 40 DDAB COC1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 55416291 RMWPTCBTHGEJCE-UHFFFAOYSA-N 302.378 1.836 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1ccn(-c2cccc(F)c2)n1 89938719 ZWSWMBMJIRDQMD-GFCCVEGCSA-N 302.353 1.788 0 40 DDAB CCc1noc([C@@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 107354396 NVPCWEWBWFYWCX-BMIGLBTASA-N 321.381 1.098 0 40 DDAB Cc1ccn(-c2ccc(N3CCN(c4ncccn4)CC3)nn2)n1 301177821 MYDPHJDYNSCVFL-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(=O)n(C)c1 548724403 UASFVZOJYXHSDZ-GFCCVEGCSA-N 316.361 1.265 0 40 DDAB O=C(Cc1ccsc1)NCC1(O)CSCCSC1 1889071926 MUQJTOLSIRVTGE-UHFFFAOYSA-N 303.474 1.618 0 40 DDAB Cc1noc(C)c1C(=O)N1CCN(C(=O)c2ccccc2)CC1 5173325 OKGGWMSPNINUEG-UHFFFAOYSA-N 313.357 1.890 0 40 DDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1sccc1C(N)=O 5196455 XWGCADABCATMNJ-UHFFFAOYSA-N 323.330 1.247 0 40 DDAB COc1ccc([C@H](NC(=O)c2cncnc2)c2nccn2C)cc1 12114930 GNZLPUJOTHPGSQ-HNNXBMFYSA-N 323.356 1.738 0 40 DDAB COCCNCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O 12186310 KNTJCAOGSQKJHA-UHFFFAOYSA-N 312.373 1.758 0 40 DDAB CCC(=O)N1CCCC[C@@H]1c1nc2c(c(NC)n1)CN(C)CC2 19711522 UOPJVJQWVPWIQO-CQSZACIVSA-N 317.437 1.970 0 40 DDAB Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCCCC3)C2)s1 19748639 IVCUJLSGEBBVAH-UHFFFAOYSA-N 307.419 1.844 0 40 DDAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 4504745 XVZAMIUXNVUHFM-LLVKDONJSA-N 321.320 1.965 0 40 DDAB COCCN[C@@H]1CSC2(C1)CN(Cc1scnc1C)C2 2056224590 XNJQFIHMYKKSCO-LBPRGKRZSA-N 313.492 1.747 0 40 DDAB Cc1cc(O)nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 8670490 DSKWGTOUGSOCFI-UHFFFAOYSA-N 319.342 1.920 0 40 DDAB O=C(NC1CCCC1)[C@H]1CCc2c(C(=O)N3CCC3)ncn2C1 2055715771 IPOIYGKQDVWOFK-LBPRGKRZSA-N 316.405 1.350 0 40 DDAB CCc1cnc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)nc1 2086864876 PAARODBBBRUZOR-ZDUSSCGKSA-N 305.426 1.074 0 40 DDAB CC[C@@H](C(=O)O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 249037963 YCQSHWNENBTOHU-OLZOCXBDSA-N 305.378 1.904 0 40 DDAB O=C(CN1CCSC1=O)NCc1ccnc(-n2cccn2)c1 40510778 HOFBQICRVGFCBB-UHFFFAOYSA-N 317.374 1.052 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 40521009 SDQHLHGTLSIGSY-LBPRGKRZSA-N 311.407 1.472 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1nccn1CC(F)(F)F 101196110 UPVMVZQRIQLQDE-AOOOYVTPSA-N 313.279 1.897 0 40 DDAB NC(=O)c1ccc2c(c1)nc1n2CCN(C[C@H]2CCCO2)C1 20727048 UZSXKRBCERMROG-GFCCVEGCSA-N 300.362 1.130 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C(N)=O)CC1 32402056 BCOPQUDWVXZAPP-UHFFFAOYSA-N 316.810 1.534 0 40 DDAB C[C@@H]1C[C@@H](OC(=O)c2ccc(CS(C)(=O)=O)cc2)C(=O)O1 32736510 JQOAJENWOXYYEH-BXKDBHETSA-N 312.343 1.092 0 40 DDAB COc1cccc(CNC(=O)c2cn3cccnc3n2)c1OC 52487036 HKWLEUVVJVRFGV-UHFFFAOYSA-N 312.329 1.677 0 40 DDAB COC(=O)C[C@@H](NC(=O)/C=C\C(=O)O)c1cccc(C)c1C 102475794 UPIZMTHUUZSLBR-MEJMFZKBSA-N 305.330 1.665 0 40 DDAB COCCN(CC(N)=O)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 69622983 HGIVXUGHVDSJFI-STQMWFEESA-N 310.781 1.404 0 40 DDAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 534914 UKKGEKYFVJZNFL-XJIUQZFPSA-N 305.374 1.663 0 40 DDAB C[C@H](NC(=O)NCC1(c2ccccc2F)CC1)C(=O)N(C)C 77348287 PBFMFPDJBZUWNG-NSHDSACASA-N 307.369 1.633 0 40 DDAB Cc1cc(C(=O)NCCCNC(=O)c2cccc(F)c2)on1 78613430 MGNMDSQVVGPJEZ-UHFFFAOYSA-N 305.309 1.672 0 40 DDAB CC1(C)CCC(=O)N[C@H]1CC(=O)C[C@@H]1NC(=O)CCC1(C)C 1653177 QSRWDLIAAKFUEJ-STQMWFEESA-N 308.422 1.945 0 40 DDAB in-vitro Cc1cccc(-n2nnnc2SC2CCS(=O)(=O)CC2)c1 79058286 RTAQTZCDNMDEHN-UHFFFAOYSA-N 324.431 1.640 0 40 DDAB COC(=O)c1oc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 103104789 ISYDAFMUDRGXPL-TXEJJXNPSA-N 303.314 1.826 0 40 DDAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O)C1CC1 41720155 MVEDDFDQQLHZAA-HNNXBMFYSA-N 321.402 1.526 0 40 DDAB NC(=O)C1CCN(C(=O)NCCCOc2ccccc2F)CC1 53493458 UFVFPHLPMUNHCR-UHFFFAOYSA-N 323.368 1.502 0 40 DDAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(N)=O 46979549 QABASLSUVHNBEN-MRVPVSSYSA-N 315.167 1.160 0 40 DDAB C=Cn1nnc(NC(=O)c2cc(Br)ccc2OC)n1 10119583 XIRCDDOJJUGTMK-UHFFFAOYSA-N 324.138 1.797 0 40 DDAB O=C(Cc1cn2ccsc2n1)NC1(C(=O)O)CCCCC1 37419313 XXALZHNFPOFGFK-UHFFFAOYSA-N 307.375 1.842 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)c1)NCCNc1cnccn1 47492766 MIKGNXCZCQOJRC-UHFFFAOYSA-N 322.372 1.433 0 40 DDAB CN(C)[C@H](CNC(=O)N1CCC[C@H]1C(N)=O)c1cccs1 43095373 LYTBDMPPPFTFAX-WDEREUQCSA-N 310.423 1.010 0 40 DDAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnn3C)C(=O)N1CC2 1394953 YAEWIFKURNNDKX-CQSZACIVSA-N 313.357 1.733 0 40 DDAB CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100394069 IKLHAPIXQITRCX-BGBUGSAUSA-N 303.358 1.539 0 40 DDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 106640254 CGOJUTNLOHCWBG-YOENINGUSA-N 316.401 1.911 0 40 DDAB O=C([C@H]1CN(C[C@H]2CC=CCC2)[C@@H]2CCO[C@H]12)N1CCOCC1 108535266 GUUTZTQEQGQVGI-MWDXBVQZSA-N 320.433 1.291 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 1426000 ZSIYQJCUIZPSBT-UHFFFAOYSA-N 301.364 1.234 0 40 DDAB COCCN1CC[C@]2(CCCN(Cc3cncn3C)CC2)C1=O 108532330 WAUZXGRGZFQJRF-QGZVFWFLSA-N 320.437 1.271 0 40 DDAB COc1ccccc1[C@@H](NC(=O)[C@H]1CCCO1)c1nccn1C 44890352 BNHKDBRGAAABOQ-HUUCEWRRSA-N 315.373 1.813 0 40 DDAB Cc1cc(NC(=O)CN2CCC(c3ccnn3C)CC2)on1 58296441 WWHILKWZVLSKLS-UHFFFAOYSA-N 303.366 1.535 0 40 DDAB C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CCCO1 44910416 AACVBKLRHFGVAK-ZFWWWQNUSA-N 304.394 1.481 0 40 DDAB CC1(C)[C@@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)C[C@H]21 102713405 LATBFGLDNAYIAH-ZIAGYGMSSA-N 307.438 1.980 0 40 DDAB CCN(CC)S(=O)(=O)N(C)Cc1ccc(C(=O)O)cc1 37862721 PKRCOKIBBVPBDX-UHFFFAOYSA-N 300.380 1.403 0 40 DDAB CN(C)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cn1 28430326 JITBBSIGKRYJSK-UHFFFAOYSA-N 313.357 1.849 0 40 DDAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(F)c(F)c1 12743686 LCSCFNPQDMSKCN-UHFFFAOYSA-N 316.373 1.870 0 40 DDAB C[C@@H]1CN(C(=O)[C@H]2CCCN(c3cnccn3)C2)C[C@@H](C)O1 29748117 VVWBKUAUWFVIFQ-MCIONIFRSA-N 304.394 1.329 0 40 DDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccccc1Cl 3313597 AVTQUHSUWZHYRJ-UHFFFAOYSA-N 306.705 1.769 0 40 DDAB CN(C)c1ncccc1CNC(=O)c1ccnc(-n2ccnc2)c1 48322686 PZGQJMMXZFLBQE-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB COc1cc(C)c(S(=O)(=O)[C@H](C)C(=O)N(C)C)cc1OC 69885514 DOFSCDBCVPLQKV-SNVBAGLBSA-N 315.391 1.263 0 40 DDAB NC(=O)N1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 69917485 IAZUILCYUURECW-UHFFFAOYSA-N 321.808 1.985 0 40 DDAB COCCCN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 49334415 NNKAQILBQGTIID-UHFFFAOYSA-N 300.380 1.302 0 40 DDAB Cc1nn(C)c(=O)n1N(C)c1ncc(C(F)(F)F)cc1Cl 4072887 QKNJJOKKZWEXNJ-UHFFFAOYSA-N 321.690 1.857 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)c1cccc(S(C)(=O)=O)c1 22534229 MAAHBRQXKYDEHF-BMRADRMJSA-N 318.398 1.889 0 40 DDAB CCOc1ccc(C(=O)[C@H](C)OC(=O)C2=NNC(=O)CC2)cc1 4349499 HKNSHEHMWKVEFX-JTQLQIEISA-N 318.329 1.466 0 40 DDAB O=C(CN[C@H](Cn1cccn1)c1ccccc1)Nc1cnccn1 65386964 VMNOMKUIBMKOJH-OAHLLOKOSA-N 322.372 1.643 0 40 DDAB CC(C)[C@H](CNC(=O)NCc1ccc(F)cc1)N1CCOCC1 13965289 FJZPAIOXXYCEBZ-INIZCTEOSA-N 323.412 1.982 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 65449770 NNSRSTCJNBZARE-YGRLFVJLSA-N 324.331 1.583 0 40 DDAB NC(=O)NC(=O)CN(Cc1c(F)cccc1F)C1CCCC1 65626112 GXIYLQPRDTXCKX-UHFFFAOYSA-N 311.332 1.904 0 40 DDAB CNC(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 14201608 GEZJAJXNFWXTOG-UHFFFAOYSA-N 317.370 1.476 0 40 DDAB CCOc1ccc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2c1 6650208 HRODFWPYINDUQI-SNVBAGLBSA-N 305.359 1.912 0 40 DDAB O=C(NCC(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 15272482 SPYZVVGNECGNKE-UHFFFAOYSA-N 304.346 1.548 0 40 DDAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C)n(C)n1 90690592 JZPZOICCTPZBHY-UHFFFAOYSA-N 314.389 1.758 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)Cn1ccsc1=N 7780419 REYNISLANFQJMY-UHFFFAOYSA-N 305.359 1.844 0 40 DDAB Cc1nnsc1C(=O)OCc1cc(=O)n2cccc(C)c2n1 7934582 YQSPDGJIOUKFLE-UHFFFAOYSA-N 316.342 1.520 0 40 DDAB Cn1cc(S(=O)(=O)N[C@H]2CCOc3ccc(F)cc32)cn1 68938158 BLISHQYPZQVRLY-LBPRGKRZSA-N 311.338 1.361 0 40 DDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)NCc2cccs2)c1 8258615 VPMKSAVMCBASLT-UHFFFAOYSA-N 306.343 1.752 0 40 DDAB CCOC(=O)CS[C@@H](C(=O)NC(=O)NC)c1ccccc1 8226756 COGPDPPPOUNXFM-GFCCVEGCSA-N 310.375 1.480 0 40 DDAB Cc1noc([C@@H](C)N2CCN(CCc3ccncc3)CC2)n1 69370595 VWGPVGOMCGOUBE-CYBMUJFWSA-N 301.394 1.694 0 40 DDAB O=C(CNC(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 8316652 KMKAPACOFODWGP-UHFFFAOYSA-N 316.288 1.923 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)c1 69416158 HALPFKRTGUGQDU-CYBMUJFWSA-N 300.362 1.368 0 40 DDAB O[C@H](COCc1ccc(Cl)cc1)CN1CC(n2cccn2)C1 69416600 AJYCWJCOYCEGHN-INIZCTEOSA-N 321.808 1.971 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NN2CCCCC2)C1=O 9329073 IEWJATLRTCPDJF-VAWYXSNFSA-N 308.382 1.129 0 40 DDAB c1ccc(N2CCOCC2)c(CN[C@H]2CCc3ncnn3C2)c1 69512507 ORHGCLCHWCTTKW-HNNXBMFYSA-N 313.405 1.219 0 40 DDAB CNc1snc(C)c1C(=O)N1CCC[C@H]1Cn1cccn1 71866304 YEQIWYXYOJVZTA-NSHDSACASA-N 305.407 1.995 0 40 DDAB COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC3)CC2=O)cc1 71892737 OWCYTMPBKKAPFL-OAHLLOKOSA-N 316.401 1.912 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Cn2cncn2)n1 71865515 DHDFHADQZOMSQO-AWEZNQCLSA-N 302.382 1.173 0 40 DDAB Cc1ccc(C)c(N(CCCC(=O)N(C)C)S(C)(=O)=O)c1 408705972 RSLTYRWTUUBJHQ-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB C[S@@](=O)c1cccc(NC(=O)NC[C@@H](O)c2ccco2)c1 72287653 CTCOBXHCUBWPLI-GTJPDFRWSA-N 308.359 1.872 0 40 DDAB CCc1cc(NC(=O)c2cn(C)c(=O)[nH]c2=O)c2ccccc2n1 97147360 OWKGGVDBNPRFFZ-UHFFFAOYSA-N 324.340 1.437 0 40 DDAB O=C(OCc1ccc2nn[nH]c2c1)c1ccnc(-n2ccnc2)c1 97164136 MUECFCQTCVGATP-UHFFFAOYSA-N 320.312 1.896 0 40 DDAB C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ncnn2C)CC1 97142567 PNEYNJMVIHKICJ-NSHDSACASA-N 320.422 1.787 0 40 DDAB Cc1cccc(CN(C2CC2)S(=O)(=O)N2CCOC[C@@H]2C)c1 95402866 MSAKQZUKBCORJW-AWEZNQCLSA-N 324.446 1.925 0 40 DDAB CCC[C@@H](N)CNS(=O)(=O)c1cc(C(C)=O)ccc1Cl 95972672 LNEVVGFTTCODSK-LLVKDONJSA-N 318.826 1.948 0 40 DDAB CC[C@H](C)n1cnc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CN)c1 95972644 QMMMWRCCMOGLSI-XQQFMLRXSA-N 314.455 1.650 0 40 DDAB O=C1CC[C@H](C(=O)Nc2cccc(OCCn3cccn3)c2)N1 89780713 XWPUJJVSFQVQAV-CQSZACIVSA-N 314.345 1.179 0 40 DDAB CS(=O)(=O)CCC(=O)Nc1n[nH]c2c(Cl)cccc12 89877485 ULTYNRFODGYYQS-UHFFFAOYSA-N 301.755 1.590 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c1C 33026211 PNMPCXXGELFIKZ-CYBMUJFWSA-N 312.435 1.675 0 40 DDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 77844651 CYHNGJCPQNXELY-RFAUZJTJSA-N 314.332 1.817 0 40 DDAB CCC[C@@H]1c2cccn2CCN1S(=O)(=O)c1cn(C)cn1 72368806 DGNJMDNDGAFUTB-CYBMUJFWSA-N 308.407 1.767 0 40 DDAB O=C(NC1CCC(O)CC1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 78998438 YQGCTRMBEJZMTE-QDIHITRGSA-N 322.449 1.835 0 40 DDAB CCCCCNC(=O)Cn1cc(I)cn1 77962921 XCJAJLXWVWKCIV-UHFFFAOYSA-N 321.162 1.794 0 40 DDAB COc1ccc(C[C@@]2(c3cccs3)NC(N)=NC2=O)cc1 71976183 SRAPNMQEENCJLZ-HNNXBMFYSA-N 301.371 1.639 0 40 DDAB Cc1cnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)nc1 664184090 MDGBUOVAGBYPQY-GASCZTMLSA-N 322.368 1.406 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1 72237950 SOHCPFHSNJIRPP-HOTGVXAUSA-N 302.374 1.644 0 40 DDAB Cc1cc(C(=O)NCCNC(=O)c2ccc(F)cc2)nn1C 36611488 PTHLIDFDNGMATO-UHFFFAOYSA-N 304.325 1.027 0 40 DDAB CCN1CCN(C(=O)c2cc(C)nc(N3CCCCC3)n2)CC1 72239828 REVUBBFGLUZQOX-UHFFFAOYSA-N 317.437 1.553 0 40 DDAB CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79391292 RCYKTMGCAYQVJK-STQMWFEESA-N 313.442 1.970 0 40 DDAB NCC(=O)N(C[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 79404338 HXLPPZVJGZMAQA-INIZCTEOSA-N 301.434 1.848 0 40 DDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1ccn(C)n1 72394839 SKEFWNCCULPCPG-CQSZACIVSA-N 314.389 1.385 0 40 DDAB Cc1cc(C)c(CCNC(=O)CN2C(=O)[C@H]3C[C@@H]3C2=O)c(C)c1 134808030 OMFRZOAYQCHGJT-GJZGRUSLSA-N 314.385 1.275 0 40 DDAB C[C@]1(O)CCCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 526076477 DAQHSLJIUFRKPI-HNNXBMFYSA-N 309.435 1.807 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)CSC 75157324 UZVCMGYIKCTVFZ-OAHLLOKOSA-N 310.419 1.418 0 40 DDAB CCCOC(=O)c1ccc(NCCN2CCOCC2)c(N)c1 225450524 UHXJWLGGURGICX-UHFFFAOYSA-N 307.394 1.580 0 40 DDAB CCc1cncc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1 573331347 WNDVDHYLXZUGSY-LBPRGKRZSA-N 300.366 1.162 0 40 DDAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 222692044 VKFYQZGIVRTJQV-UHFFFAOYSA-N 307.755 1.051 0 40 DDAB Cc1n[nH]c(SCCNS(=O)(=O)c2ccc(F)cc2)n1 222988043 QCUKKCYFLOONPT-UHFFFAOYSA-N 316.383 1.323 0 40 DDAB O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(-n2cccc2)cc1 85468385 LKCHTBOQDIGEEF-SQWLQELKSA-N 300.358 1.339 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1cc(C)n(-c2cc(C)on2)c1C 195544792 XKFASWQSNBZRJT-KGLIPLIRSA-N 318.377 1.107 0 40 DDAB COC(=O)[C@H](CNC(=O)c1cccn1C)c1ccc(F)cc1 192764112 BIVAZOVCTIFLEB-CYBMUJFWSA-N 304.321 1.851 0 40 DDAB CCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96238007 PHRNQPTZQRULEJ-KRWDZBQOSA-N 319.380 1.485 0 40 DDAB COC(=O)[C@@H]1C[C@H]2c3ccccc3N(C(C)=O)[C@H]2N1C(=O)OC 95936513 ZKMAGAPYZQZBHO-UBHSHLNASA-N 318.329 1.477 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1 96049753 PMRZCXJGSXTDFD-QGZVFWFLSA-N 319.405 1.033 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccsc2)Cc2c1cnn2C 96100088 LELPDGOXLOZUEW-GFCCVEGCSA-N 305.403 1.797 0 40 DDAB O=C1COC2(CCN(CC3CC3)CC2)CN1c1cccnc1 96201441 ZMJKGLOCGQQUPI-UHFFFAOYSA-N 301.390 1.689 0 40 DDAB Cc1cnc2n1CCN(C)C21CCN(C(=O)c2ccco2)CC1 96037005 IXYJGGDKTIMJMP-UHFFFAOYSA-N 314.389 1.861 0 40 DDAB Cn1ccc2ccc(NC(=O)CCNC(=O)c3cnccn3)cc21 95472233 FHSUOSSIRAGWPI-UHFFFAOYSA-N 323.356 1.727 0 40 DDAB CCOCC(=O)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107004 HQBCJRQREOMAHD-AWEZNQCLSA-N 320.389 1.647 0 40 DDAB Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)CN(C)C)C[C@H]3O2)n1 96046375 WVDAMFGGTUCHDM-AEGPPILISA-N 304.394 1.025 0 40 DDAB Cc1nnc(N2CCC[C@]3(CN(Cc4ccoc4)CCO3)C2)o1 96049189 CFMAUODRGCGEEG-INIZCTEOSA-N 318.377 1.842 0 40 DDAB COCc1noc([C@@H](C)N2CCN(c3ccncc3)CC2)n1 97371903 CCGFWVZUOLJVCP-GFCCVEGCSA-N 303.366 1.494 0 40 DDAB Cc1ccc(N2CC[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)nn1 96081486 XCXYUEMZWIGCAQ-QWHCGFSZSA-N 312.377 1.107 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccccc1)OCC2 96044317 QLLNARXJFXZVMQ-OAHLLOKOSA-N 315.373 1.573 0 40 DDAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1 96206672 NQUPOFDDMJSWOZ-GZBFAFLISA-N 307.394 1.359 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1ccccn1)C2 96198062 QUPGINCVTNUEBR-CYBMUJFWSA-N 300.362 1.684 0 40 DDAB O=C([C@H]1CO[C@@H]2CN(Cc3ccco3)C[C@@H]21)N1CCCCO1 96216435 KFFWLUPCFGTHFJ-QLFBSQMISA-N 306.362 1.280 0 40 DDAB CCn1nc(C)c2nnn(CC(=O)c3ccc(C)cc3)c(=O)c21 96182726 YQABYIPJHUQGDR-UHFFFAOYSA-N 311.345 1.508 0 40 DDAB CC(=O)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 96207844 QZAJBPPOTFCMKL-CQSZACIVSA-N 305.378 1.521 0 40 DDAB Cc1nc(CN2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)cs1 96050939 AMEXTVJLGADBIH-OAHLLOKOSA-N 322.434 1.558 0 40 DDAB CN(C)C(=O)CN1CC[C@H]2CN(Cc3ccsc3)C[C@@H]2C1=O 96249052 VOOCGOQKXHXSAJ-KBPBESRZSA-N 321.446 1.117 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257296809 REMJCHGNVXEFDX-MHEUCROKSA-N 324.450 1.022 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](c2ccccc2)C1 257246657 IVDDRJXUEIRLKK-MRXNPFEDSA-N 312.373 1.466 0 40 DDAB COc1ccc(F)cc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257220241 DKDQEJZSEIDFEU-HOCLYGCPSA-N 309.337 1.590 0 40 DDAB COCC(=O)N1CCC(c2nccnc2-n2ccnc2)CC1 257198097 SRDZGNLLUASZGF-UHFFFAOYSA-N 301.350 1.015 0 40 DDAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)c1ccc(F)cc1 257224798 FDJQHBLONQZIIB-AWEZNQCLSA-N 307.369 1.107 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1 257335288 YJNFQPLDXZRLJO-JTQLQIEISA-N 312.420 1.445 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC2(CC1)OCCC[C@H]2O 257284459 PCTZJPPBHMYFMD-CQSZACIVSA-N 316.361 1.104 0 40 DDAB C[C@H](C(=O)O)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 263553328 MLVNHCKTVRTWFK-WCQYABFASA-N 304.346 1.361 0 40 DDAB C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc(OC2CCCC2)cc1 585295362 WPUDCHGOBDLKDM-PSMGESJCSA-N 321.417 1.295 0 40 DDAB Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1nc(C(N)=O)co1)O2 585113371 VRPTZWSEJQLABY-ZDUSSCGKSA-N 315.329 1.092 0 40 DDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)c3conc3C)C2)c1 585278460 SRTOLXQSCVVWPY-KRWDZBQOSA-N 316.357 1.947 0 40 DDAB c1ccn2c(CSc3nnnn3C3CCOCC3)cnc2c1 84606585 HFBAGGYLPSWDKM-UHFFFAOYSA-N 316.390 1.965 0 40 DDAB C[C@@H](O)[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)O 94595280 CZRISFJTLAWTMK-ANLVUFKYSA-N 309.215 1.408 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C[C@@H]2CCOC2)C2CC2)c(=O)[nH]1 75117937 GXISDELTBVGNBH-ZDUSSCGKSA-N 319.405 1.702 0 40 DDAB O=C1CN(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)CCN1 95414420 URPHOHREDSAFRP-KDOFPFPSSA-N 313.401 1.422 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c(=O)[nH]1 89610860 DEQZCAQJSDMPJF-GFCCVEGCSA-N 323.356 1.755 0 40 DDAB Cc1nc(C)c(C(=O)Nc2c[nH]cc(Br)c2=O)o1 89990624 VGNGOSGPHSQOKA-UHFFFAOYSA-N 312.123 1.995 0 40 DDAB CCC(N)(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1 97229194 XBMWFTFFVQKITA-UHFFFAOYSA-N 300.424 1.799 0 40 DDAB COc1ccc2c(=O)c(NC(=O)NC[C@@H]3CCCO3)c[nH]c2c1 13566009 NUPWIFVIFSVNSL-NSHDSACASA-N 317.345 1.837 0 40 DDAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 13580388 VAKLEIYOHUEXEK-NSHDSACASA-N 310.419 1.927 0 40 DDAB O=C(C1CCCC1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19292397 VFOPRFUKQIWVEA-ZDUSSCGKSA-N 300.406 1.628 0 40 DDAB Cc1c(CN2CCC(CC(=O)N3CCCC3)CC2)cnn1C 19748397 AHJATHSXIONPGF-UHFFFAOYSA-N 304.438 1.953 0 40 DDAB Cc1ccccc1N1C(=O)[C@H]2C(C(=O)c3ccco3)=NO[C@H]2C1=O 3848957 DKYXYHSXOOWNCQ-SWLSCSKDSA-N 324.292 1.715 0 40 DDAB biogenic CCCN1C(=O)NC2(CCN(C(=O)c3cccs3)CC2)C1=O 17271890 BZHYTUVYEQYKJI-UHFFFAOYSA-N 321.402 1.685 0 40 DDAB CC(C)Cn1nc(C(=O)O[C@H](C)C(N)=O)c2ccccc2c1=O 5102737 GBEQGHBNQNZWDK-SNVBAGLBSA-N 317.345 1.083 0 40 DDAB O=C(NCCN1CCOCC1)c1cnc(Cl)c(Cl)c1 21809540 BNRXERZZOCTDMX-UHFFFAOYSA-N 304.177 1.450 0 40 DDAB in-vivo C[C@@H](NC(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 9596139 MNRQXLRKZCEIMW-SECBINFHSA-N 310.400 1.887 0 40 DDAB CCOc1ccc(-c2noc(CNC(=O)c3cnc[nH]3)n2)cn1 238851349 JJBIIMNKGWMGRP-UHFFFAOYSA-N 314.305 1.183 0 40 DDAB O=C1CN(C(=O)c2cc3cccc(Br)c3o2)CCN1 33225017 YJZXJIWHCWMLPX-UHFFFAOYSA-N 323.146 1.767 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2F)C1 40597715 HOKZTCCPQHXTNR-GFCCVEGCSA-N 300.399 1.754 0 40 DDAB O=C(CC1(O)CCC1)N1CCC2(CC1)CC(=O)N(CC1CC1)C2 2056213798 FRKYLOOPYKWKTG-UHFFFAOYSA-N 320.433 1.543 0 40 DDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@H]21 1565550390 BQTKDZFTIOJHQM-BPLDGKMQSA-N 305.378 1.456 0 40 DDAB CC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCC3)cnc21 4166256 PNIQALWCCHJUNZ-UHFFFAOYSA-N 317.393 1.407 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1 10330820 QQOXEKDYGDTALJ-LBPRGKRZSA-N 302.334 1.032 0 40 DDAB Cn1c(=O)c2[nH]c(-c3cccc(-c4cc[nH]n4)c3)nc2n(C)c1=O 20780103 AANSVMOITPKGRF-UHFFFAOYSA-N 322.328 1.017 0 40 DDAB O=C(N[C@]1(C(=O)O)CCOC1)c1cc(Cl)c2c(c1)OCO2 85846874 MEUUSCORXJHCJV-CYBMUJFWSA-N 313.693 1.042 0 40 DDAB COCCN(CCOC)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40082786 QUNLVTMHPMPKMN-UHFFFAOYSA-N 321.352 1.951 0 40 DDAB COc1ccc(OC)c([C@@H]2SCCN2S(C)(=O)=O)c1 299253 PHOFBIKRIZAPAP-LBPRGKRZSA-N 303.405 1.711 0 40 DDAB CN(CCCNc1cc(=O)oc2ccccc12)S(C)(=O)=O 101685948 QADATIUSYCTYAQ-UHFFFAOYSA-N 310.375 1.486 0 40 DDAB COC(CN1C(=O)c2ccc(Br)cc2C1=O)OC 79686 CUPFVYPDOOYJDM-UHFFFAOYSA-N 314.135 1.664 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2cccn2)cc1 21937776 FRBZUJWNOGJKAV-UHFFFAOYSA-N 314.389 1.859 0 40 DDAB COC(=O)c1c(NC(=O)CN2CCCC2=O)sc(C)c1C 60750202 HPNJRXOVKCTLBU-UHFFFAOYSA-N 310.375 1.712 0 40 DDAB COCCN(CCCN1C(=O)NC(C)(C)C1=O)C1CCCC1 76913189 KRKUSKOMLJQSSA-UHFFFAOYSA-N 311.426 1.598 0 40 DDAB COc1ccc(C2(O)CCS(=O)(=O)CC2)c(OC)c1OC 1653737 UJMAYRZOAHDXEE-UHFFFAOYSA-N 316.375 1.109 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccn(C)n3)C2)n1 79494083 WICYQCVBMZXCQD-ZDUSSCGKSA-N 314.393 1.682 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)NC1CC1 7292927 BTEUNRWLUZIDGR-UHFFFAOYSA-N 300.318 1.011 0 40 DDAB O=C1C[C@@H](c2ccccc2)N(CC(=O)N2CCCCC2)CCN1 54395322 WSJDKDIRENAQIO-INIZCTEOSA-N 315.417 1.562 0 40 DDAB COc1ncccc1NS(=O)(=O)c1cccc2nsnc12 47521245 YIZWZTFSTCNIOL-UHFFFAOYSA-N 322.371 1.896 0 40 DDAB O=C(CN1CCN(CCO)CC1)N(C1=CCCCC1)C1CC1 61758394 QDDQCKGYOZLTRT-UHFFFAOYSA-N 307.438 1.045 0 40 DDAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 61883888 QJAZIGXHHPRWEY-HQJQHLMTSA-N 308.325 1.510 0 40 DDAB Cn1nnc2cc(C(=O)N3[C@H]4CC[C@H]3[C@@H](C(=O)O)C4)ccc21 519161431 GZFWFHFHUMDHPJ-NHCYSSNCSA-N 300.318 1.046 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccc(CNC(N)=O)cc2)no1 25136889 XEBNYHYITVQTRR-UHFFFAOYSA-N 302.334 1.424 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1-n1cccn1 48151142 FNYKPROJLWQSFK-LBPRGKRZSA-N 315.377 1.909 0 40 DDAB O=C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C(=O)N1 84368119 UCCOQNAEAQYNLV-UHFFFAOYSA-N 306.709 1.832 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(Cc2c(C)noc2C)CC1 44742240 OUTLPVUAPPBCCY-LBPRGKRZSA-N 308.426 1.324 0 40 DDAB CC(C)(O)CSCCNC(=O)Cc1c[nH]c2ncccc12 84326257 NLRYVTKVEOCRRC-UHFFFAOYSA-N 307.419 1.726 0 40 DDAB C[C@@H](OC[C@@H](O)CNC(=O)c1ccccn1)c1ccccc1 58266522 VSAKAPDEBXASBP-HIFRSBDPSA-N 300.358 1.950 0 40 DDAB COc1ccc(CCNC(=O)N[C@H](C(=O)O)C(C)C)cc1OC 2105383 YJOKITQTAGHBMF-AWEZNQCLSA-N 324.377 1.655 0 40 DDAB biogenic O=C(CNC(=O)CC1CCCCC1)NC[C@H](O)c1ccccc1 58377576 BFHBHWDETQUGHP-INIZCTEOSA-N 318.417 1.923 0 40 DDAB CC(C)[C@@H](C(=O)NCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 58412121 HJCFZINQQXRZOA-FMKPAKJESA-N 305.422 1.832 0 40 DDAB Cc1cccn2cc(CC(=O)NCCC(=O)OC(C)C)nc12 58426070 NPCZKGLZJSXEIZ-UHFFFAOYSA-N 303.362 1.643 0 40 DDAB O=C(Cn1cccn1)NC[C@H](c1cccs1)N1CCOCC1 48303876 HPKUASPHMUWUDF-CYBMUJFWSA-N 320.418 1.134 0 40 DDAB COC(=O)COn1c(SC(C)C)nc2ccccc2c1=O 2402321 LFDQJZAGJRDZDP-UHFFFAOYSA-N 308.359 1.499 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1C[C@@H](C)O[C@H](C)C1 21821989 APEINNYJGPSPHV-UTUOFQBUSA-N 306.362 1.852 0 40 DDAB CCCn1c(=O)[nH]c2c(=O)[nH]c(-c3cccs3)nc2c1=N 2585717 USDRUZGFUCSHOZ-UHFFFAOYSA-N 303.347 1.031 0 40 DDAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)O)C1=O 37011689 AWRMUZRVVDNNTD-GFCCVEGCSA-N 317.128 1.845 0 40 DDAB in-vitro CCCn1c(=O)n(C)c(=O)c2c(S)nc(CC(C)C)nc21 3887018 SQMQOJWODGYNSD-UHFFFAOYSA-N 308.407 1.387 0 40 DDAB COc1ccc(C2=CCN(C(=O)[C@H]3COCCO3)CC2)cc1 49276555 LPVCIZXVWWUOTN-MRXNPFEDSA-N 303.358 1.726 0 40 DDAB O=S(=O)(CC1CC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 95397133 AXLNSJPWAGLFSE-CYBMUJFWSA-N 324.450 1.881 0 40 DDAB O=C(Nc1ccc2ncccc2c1)N[C@H]1CCS(=O)(=O)C1 61444380 LLRBTVMLJDMFCT-LBPRGKRZSA-N 305.359 1.543 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(-c3ccccc3)no1)CC2 65457344 XIHRSWPVQRBHCR-ZDUSSCGKSA-N 323.356 1.986 0 40 DDAB O=C(CNCc1c[nH]nc1-c1cccnc1)NCc1ccco1 65479616 NTVXSBORSAUZRF-UHFFFAOYSA-N 311.345 1.471 0 40 DDAB COCCCNC(=O)N1CCC(c2nnc3ccccn23)CC1 65430268 OQDKEXDYDIKRAV-UHFFFAOYSA-N 317.393 1.655 0 40 DDAB CCN(C)CCNC(=O)C1CCN(C(=O)N(CC)CC)CC1 65404035 NCPGSRZWAZTRJV-UHFFFAOYSA-N 312.458 1.228 0 40 DDAB Nc1nccnc1C(=O)OCc1cc(F)cc2c1OCOC2 14060269 UFNQBGYJAYSDSZ-UHFFFAOYSA-N 305.265 1.421 0 40 DDAB O=C(NC[C@H]1COCCO1)c1ccc(-c2ccccc2)[nH]c1=O 65551999 PVKSEALVUWDTHD-ZDUSSCGKSA-N 314.341 1.187 0 40 DDAB O=c1n(CCOc2ccc(F)cc2)nnn1-c1ccccc1 14245897 OIWNYBCJNRUPCB-UHFFFAOYSA-N 300.293 1.647 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C(=O)O[C@@H]2CCOC2=O)C(C)C)cc1 14249967 BXSMMRVTJDTQLB-ZIAGYGMSSA-N 319.357 1.608 0 40 DDAB CCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O 6678899 CESRPBGLKHDHAL-UHFFFAOYSA-N 321.402 1.303 0 40 DDAB O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6940371 CIIMILFSPUUXIJ-AWEZNQCLSA-N 322.792 1.803 0 40 DDAB C[C@@H](C(N)=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 8153244 SAQFDXGDKKTFOA-VIFPVBQESA-N 302.300 1.096 0 40 DDAB Cc1nc(C(C)(C)C)sc1C(=O)NCCN1CCN(C)CC1 69414527 BGHMCFCWDHCFNX-UHFFFAOYSA-N 324.494 1.726 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cncc(C)c3)CC2)c1 96430912 UHVJIAQMWVZDHV-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)O 96402423 DLGWHNFHPXKXGV-AWEZNQCLSA-N 301.346 1.770 0 40 DDAB CCCCc1ccc(-n2c(=O)[nH]cc(CC(=O)O)c2=O)cc1 20156460 UUUQPUDXHYIGLM-UHFFFAOYSA-N 302.330 1.496 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCCCS(=O)(=O)N(C)C)c1 69776711 NDVIINWQCJRMGM-QWHCGFSZSA-N 302.444 1.012 0 40 DDAB CCN(CC)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccco1 71836560 CTVBBBBSRUHQHU-CYBMUJFWSA-N 303.362 1.781 0 40 DDAB CCCCCC[C@](C)(NCC(=O)NC(N)=O)C(=O)OCC 71893007 DHKLGJKVOPFNBP-AWEZNQCLSA-N 301.387 1.063 0 40 DDAB CCO[C@@H]1C[C@@H]1C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 71821289 HZLRXUXIPNTKDI-RRFJBIMHSA-N 302.374 1.501 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 69923088 OLBRFOGJQOVFDI-RYUDHWBXSA-N 321.446 1.936 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCO1 92238031 YEJWEUMPRNWQRT-JQWIXIFHSA-N 307.371 1.578 0 40 DDAB Cn1c(CN(Cc2ccc(F)cc2)C2CC2)cc(=O)n(C)c1=O 8769494 OWFQGFNDTJSROL-UHFFFAOYSA-N 317.364 1.388 0 40 DDAB O=C1NCCN(C(=O)c2cnns2)[C@H]1c1ccccc1Cl 97086645 LTQOYQWRKFKDQM-NSHDSACASA-N 322.777 1.505 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)Cn2cc(C)cn2)c(C)nn1C 72234416 WQZNNNDGADFMHL-ZDUSSCGKSA-N 317.393 1.606 0 40 DDAB O=C(CCc1ccsc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269573 KMWWCCDLIVIDKP-GJZGRUSLSA-N 308.447 1.738 0 40 DDAB O=C(NCc1cc(Cl)cc2c1OCC2)N1CCC[C@H](O)C1 97114789 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C[C@H](NCCc1c[nH]c2ccccc12)c1c[nH]c(=O)n(C)c1=O 89904514 BHVHTXJHUWXODY-NSHDSACASA-N 312.373 1.448 0 40 DDAB CC[C@H](NC[C@@H](c1ccc(C)s1)N1CCOCC1)C(N)=O 75603915 CYVDDQMRHOZYMB-STQMWFEESA-N 311.451 1.283 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CC2=CCCOC2)C1 548018326 KNMZVVDOGRJAKL-INIZCTEOSA-N 321.446 1.835 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O 34936909 RUTVKXJQNPCTNU-JTQLQIEISA-N 323.823 1.825 0 40 DDAB CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC2(CCC2)C1 516969909 MCMDBNWDPUEIKP-LBPRGKRZSA-N 316.409 1.846 0 40 DDAB CCc1cccc(NC(=O)NCCN2CCCS2(=O)=O)c1 61746202 MKIKMCCCHSJTRL-UHFFFAOYSA-N 311.407 1.406 0 40 DDAB Cc1cc(C(=O)N2CCN(CCn3ccnc3)CC2)c(C)o1 75158021 PADCUKXAJKYQAZ-UHFFFAOYSA-N 302.378 1.551 0 40 DDAB NS(=O)(=O)c1cnc(N2CC[C@@H](Nc3ccccc3)C2)s1 78988140 IQOHDFILFFCBEA-LLVKDONJSA-N 324.431 1.481 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)O 36623944 YXBZNKKSXVLCOU-CHWSQXEVSA-N 307.394 1.886 0 40 DDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)o2)CC1 72241082 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CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccccn3)C2)n1 225402234 PERAVPIAJCXWQP-GFCCVEGCSA-N 313.361 1.231 0 40 DDAB COc1c(N)ncnc1N1CCC[C@H](Cc2noc(C)n2)C1 571224513 AISKUYLUPHRFJK-SNVBAGLBSA-N 304.354 1.218 0 40 DDAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCCO 222821043 SORDVODJYBDMSW-NSHDSACASA-N 312.797 1.576 0 40 DDAB CCOc1ncccc1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 225521075 UOBSHOUVRAMEDS-LBPRGKRZSA-N 314.389 1.933 0 40 DDAB Cc1nc(NC(C)C)nc2c1CN(Cc1nccn1C)CC2 96253899 ZOUDAILMPFUAGC-UHFFFAOYSA-N 300.410 1.897 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072526 ICOFTGFCNVDNCM-CJNGLKHVSA-N 314.345 1.257 0 40 DDAB O=C(NCCc1cscn1)N1CCCN(C(=O)C2CC2)CC1 97103118 NMIPHWJKYVLZGY-UHFFFAOYSA-N 322.434 1.340 0 40 DDAB O=C(NC[C@@H]1Cn2nnc(-c3ccccc3)c2CO1)c1ccc[nH]1 96069425 LDYNYAHUCDZQLL-CYBMUJFWSA-N 323.356 1.602 0 40 DDAB O=c1c2c(cnn1CN1CCN(c3ccccc3)CC1)CCCC2 94993135 UVOYFGZBZOIUCC-UHFFFAOYSA-N 324.428 1.902 0 40 DDAB Cc1ncc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)[nH]1 91934883 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1.306 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCO[C@H](c2cnccn2)C1 257298263 RKYOUUUDVUHHRI-AWEZNQCLSA-N 314.345 1.557 0 40 DDAB COCC(=O)N1CC2(C[C@@H](OCc3cnccc3C)CCO2)C1 575402903 DMBVDTWBWPBMTM-HNNXBMFYSA-N 320.389 1.313 0 40 DDAB CO[C@@H](C)CS(=O)(=O)Nc1cc(C)cc(F)c1C(=O)O 663266886 OIQAMSLKLFCUDI-QMMMGPOBSA-N 305.327 1.609 0 40 DDAB Cc1cc(N2CCO[C@](CO)(Cc3ccccc3F)C2)ncn1 585277770 XTVITIVYLNOTMD-QGZVFWFLSA-N 317.364 1.735 0 40 DDAB CO[C@@H]1CCN(C(=O)[C@H]2[C@H]3COC[C@H]32)C[C@H]1Cc1ccccc1 585113477 ONQMARDAOMBTPR-UYTYNIKBSA-N 315.413 1.985 0 40 DDAB Cc1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1Cl 70638940 LHNUESGTZGBFBV-UHFFFAOYSA-N 319.810 1.468 0 40 DDAB COc1ccnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 71824785 HKHNDYSROJYOAS-UHFFFAOYSA-N 303.366 1.412 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)c2cncnc2C)c(C)nn1C 72234400 QWZZEKFIGZYGCG-ZDUSSCGKSA-N 315.377 1.813 0 40 DDAB O=C(CN(C[C@@H]1CCOC1)C1CC1)N1CCO[C@H]2CCCC[C@@H]21 52774838 MSMIHRWPHWXERA-XIRDDKMYSA-N 322.449 1.657 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)NCC2(O)CCC2)CC1=O 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O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1 4373760 YIYVZVVVIHUOTC-GFCCVEGCSA-N 321.352 1.097 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)nc1 2055732545 MUPOEAXFZUGKPE-GFCCVEGCSA-N 314.389 1.727 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(Br)o2)C1 41128035 MSHZOANLNGAFBS-KHVHVRLGSA-N 313.151 1.389 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)cc1 57095 QSUGRMCPSKTJTP-OAHLLOKOSA-N 305.399 1.877 0 40 DDAB CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cccn2)nc1 40490300 XJEXPSDADFZEAG-LLVKDONJSA-N 302.334 1.337 0 40 DDAB NC1CCN(S(=O)(=O)c2ccccc2Br)CC1 20475526 NBFIKKZBGVXACT-UHFFFAOYSA-N 319.224 1.561 0 40 DDAB CCCCNC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 40540063 AEFQJDIAFFKNAH-CQSZACIVSA-N 305.357 1.821 0 40 DDAB C[C@@]1(NC(=O)COc2ccc(F)cc2F)CCS(=O)(=O)C1 32878622 HZFUSAWBPIGXHN-CYBMUJFWSA-N 319.329 1.037 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)CCc2ccco2)cc1 32924998 USNQLERSJZOONG-UHFFFAOYSA-N 307.371 1.932 0 40 DDAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(c2ccccc2F)C1 21901795 WPYIUAABIPQAHI-SNVBAGLBSA-N 315.304 1.918 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NCC[C@@H](O)C(C)C)CC2=O)cc1 76022720 QHJLAWVLGFLZSM-GDBMZVCRSA-N 318.417 1.871 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2cccnc2)C[C@H]1C(=O)O 72343577 FLFIIHVTTWZCIV-LBPRGKRZSA-N 307.350 1.592 0 40 DDAB CCOc1ncccc1NS(=O)(=O)C[C@@H]1CCCCO1 76936235 CWLUCZKHAPVNAK-NSHDSACASA-N 300.380 1.791 0 40 DDAB Cc1c(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)cnn1C 78992424 OFJSWYRGVUOSCI-HNNXBMFYSA-N 309.316 1.644 0 40 DDAB Cc1nsc(N2CCN(Cc3nnsc3Cl)CC2)n1 78970420 HNIKPPDCXBAKEM-UHFFFAOYSA-N 316.843 1.674 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 4006433 USMJRFMICLNYFG-UNJBNNCHSA-N 315.325 1.935 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2sccc2C)NC(=O)N[C@@]1(O)C(F)(F)F 4387639 HFTMWFJZNYYHAM-FYBVGQRMSA-N 322.308 1.867 0 40 DDAB CCCCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1 4965355 WDEDXAMPAKTKQW-UHFFFAOYSA-N 323.397 1.022 0 40 DDAB COc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1OC 6640060 KNTUBHXMVJEJQM-ZYHUDNBSSA-N 307.346 1.519 0 40 DDAB 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COc1ncccc1NC(=O)NC[C@@H](O)CN1CCCCC1 48414498 POYTWRWKDQIKCX-GFCCVEGCSA-N 308.382 1.059 0 40 DDAB O=C1OCC[C@H]1N1CCN(c2ncc(Cl)cc2Cl)CC1 48578816 PTCIEBLNFWPINW-LLVKDONJSA-N 316.188 1.826 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 4196089 YCXQFNKUNUIKKV-LIWPIPGMSA-N 317.341 1.840 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1Cn1cccn1 69926654 BUKDRKKJERJZCA-ZDUSSCGKSA-N 310.361 1.319 0 40 DDAB O=C(NCc1ccc(CN2CCCC2)cc1)N1CCC[C@@H](O)C1 72482420 HVTVEZMRSOHCEM-QGZVFWFLSA-N 317.433 1.949 0 40 DDAB c1ccc([C@@H](CNc2ccc3nnnn3n2)N2CCCC2)cc1 14068244 ULINOSVPAUMLJQ-CQSZACIVSA-N 309.377 1.768 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1COc2cc(OC)ccc2C1 65530781 ILZYOFSJBJLVKI-YPMHNXCESA-N 320.389 1.277 0 40 DDAB COc1cc(CNCc2nnc3n2CCCC3)cc2c1OCO2 65551561 QLUAUJRDBBSENA-UHFFFAOYSA-N 316.361 1.642 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14185385 BMFUUYRLBWFPNP-CHWSQXEVSA-N 320.389 1.451 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 4514898 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O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCc1ccco1 9486200 UULHHRKFNLSCRQ-UHFFFAOYSA-N 320.740 1.718 0 40 DDAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc[nH]c1=O 9479223 MGUHRHTZSPILRZ-UHFFFAOYSA-N 311.341 1.432 0 40 DDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)c2cnc[nH]2)CC1 71871696 PYUIKRQILFIDKX-UHFFFAOYSA-N 322.800 1.145 0 40 DDAB C[C@@H](C(=O)NCc1ccco1)N1CCCC[C@@H]1Cn1cncn1 71878724 LXFTWLZGXBMVEW-UONOGXRCSA-N 317.393 1.431 0 40 DDAB C[C@H](CN1CCCC1=O)NCc1cn(C)nc1-c1ccncc1 71825281 XMKOVQOTIMYDFC-CYBMUJFWSA-N 313.405 1.583 0 40 DDAB C[C@H](O)CN1CCN([C@H](C)C(=O)NCCC2=CCCCC2)CC1 71877427 LITAHHWYEXIIHN-JKSUJKDBSA-N 323.481 1.380 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)C2CCCCC2)cc1 9721199 UPLZTWKHBDATDD-UHFFFAOYSA-N 310.419 1.672 0 40 DDAB Cc1c(Cl)ccc2c1N(C(=O)Cn1ncn(C)c1=O)CCC2 97049407 NNERLHFUFRAIGY-UHFFFAOYSA-N 320.780 1.523 0 40 DDAB Cc1cccc(CCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 72269500 QHRQJLNSZGMUGU-MSOLQXFVSA-N 316.445 1.985 0 40 DDAB CCn1c(C)cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1C 72269496 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CCc1nc2n(n1)[C@@H](c1cn(C)nc1C)C(C(=O)OC)=C(C)N2 36621434 KFGQXEGHUROOCN-ZDUSSCGKSA-N 316.365 1.344 0 40 DDAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CN)n1 72360896 LOOHIZJGLJHRCW-LLVKDONJSA-N 318.406 1.607 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72379592 VYFIWZWHIBXURF-INIZCTEOSA-N 316.405 1.966 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)[S@@](=O)Cc1cccc(C(N)=O)c1 78556315 CSNGJAZOOIWZOW-KPWVOAKYSA-N 324.446 1.728 0 40 DDAB CN(Cc1ccccc1)C(=O)CSC(=S)N1CCOCC1 215680024 SDGOLPSXRQCKAC-UHFFFAOYSA-N 324.471 1.995 0 40 DDAB C[C@H](N)C(=O)NC[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393035 PHVDSIAXJWALSA-GXTWGEPZSA-N 305.378 1.109 0 40 DDAB CCOC(=O)CN1CCO[C@@H](COc2ccc(Cl)cc2)C1 217484804 LTIQANXFCAKHDJ-CQSZACIVSA-N 313.781 1.983 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(COC)C(N)=S 218030491 YTHJRHNUFOVUBX-OUCADQQQSA-N 313.444 1.506 0 40 DDAB CCCN(CC(=O)O)C(=O)c1ccn(-c2ccccc2F)n1 195541763 TZNLAJSGBXPKQV-UHFFFAOYSA-N 305.309 1.948 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@@H](Oc2cnccn2)C1 225473913 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CN(C)c1cc(C(=O)NC[C@@H](O)c2ccccc2F)ccn1 96445836 OLKCGMAMMYIPSS-CQSZACIVSA-N 303.337 1.750 0 40 DDAB O=C(Cn1cnnn1)N1CCSC[C@H]1c1ccc(Cl)cc1 96407420 CJALXWGIWKJPPV-LBPRGKRZSA-N 323.809 1.643 0 40 DDAB O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccnc2)O1 96057466 CQQBNWIMJMLUFV-BRWVUGGUSA-N 315.417 1.730 0 40 DDAB C[C@@H](C(N)=O)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1 96454349 NQABRUNKGHLYMX-LQPUYASZSA-N 319.380 1.247 0 40 DDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2nccn2C)C1 96420768 JAXQFEQYAKBNQA-ZDUSSCGKSA-N 321.425 1.114 0 40 DDAB CCCCS(=O)(=O)N[C@H](C(=O)NC)c1ccc(F)c(F)c1 96427770 MQWDTGGNNCSRQL-LBPRGKRZSA-N 320.361 1.471 0 40 DDAB Cc1ccc(CN2Cc3ccnn3[C@H](CC(=O)N3CCC3)C2)o1 248107432 POKIKSBNQRIWBB-OAHLLOKOSA-N 314.389 1.964 0 40 DDAB C[C@H]1CN(C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H](C)O1 245344105 XNOWSQITMDVGQK-XNHWPECASA-N 310.438 1.368 0 40 DDAB CNC(=O)CCc1cc([C@@H]2CCCN(CCOC)C2)nc(C)n1 257245472 IPQWSOKRNHDDFX-CQSZACIVSA-N 320.437 1.289 0 40 DDAB Cc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257332441 XXIXKBMLZXHYST-ZHALLVOQSA-N 316.445 1.984 0 40 DDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(c2ncccn2)C1 257237841 HIKZFZMDOBPMCF-LLVKDONJSA-N 321.406 1.062 0 40 DDAB CCOCC(=O)N1CCC[C@H](Cc2cnc(NC)cn2)CC1 257202316 ALGIOUNUJLJQCJ-ZDUSSCGKSA-N 306.410 1.726 0 40 DDAB Cn1ccc(C(=O)N2CCC(c3ccnc4ccnn34)CC2)n1 257342269 ZNWDHNVSMXQHNL-UHFFFAOYSA-N 310.361 1.483 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1CCCCCC1 24683050 YCNNIXHKAVXJQC-UHFFFAOYSA-N 301.412 1.446 0 40 DDAB O=C1CO[C@@H]2CN(c3ncccn3)C[C@H]2N1Cc1ccccc1 257268927 MNVREIPWMGQHRV-HUUCEWRRSA-N 310.357 1.093 0 40 DDAB O=S(=O)(c1ccccc1F)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257257314 KPACHHBCSGSEMJ-KBPBESRZSA-N 315.366 1.130 0 40 DDAB CC(C)Cc1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(O)n1 262810087 TZUVMKQVZDGMBN-UHFFFAOYSA-N 318.333 1.519 0 40 DDAB CC(C)(C)c1nnc2ccc(NC[C@@H](CO)[C@H]3CCOC3)nn12 280858761 DKVHKIKAEOEEHD-RYUDHWBXSA-N 319.409 1.479 0 40 DDAB COc1ccc(OCC(=O)N2CC[C@@]3(CCCO3)C(=O)C2)cc1 585288787 JEXMBWSFWQROKI-KRWDZBQOSA-N 319.357 1.425 0 40 DDAB O[C@@H]1[C@H](O)COC[C@H]1CNCc1cccc(C(F)(F)F)c1 585285991 GUCFZPQOJVXJHX-RTXFEEFZSA-N 305.296 1.163 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCCOCc2ccco2)C1 65417688 SKMZCDQTINFREC-CQSZACIVSA-N 323.393 1.496 0 40 DDAB CN(C)C(=O)[C@H](c1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 72308483 VCFVMKJWXOVYPW-GXTWGEPZSA-N 316.323 1.815 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1nncs1 43128115 FHDFFVSJPDLLAM-UHFFFAOYSA-N 306.347 1.973 0 40 DDAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)C(=O)NC2CC2)CC1 56494228 FLSQQPUMSSJZNJ-GFCCVEGCSA-N 319.380 1.310 0 40 DDAB Cc1cnn(CC(=O)N2CCN(c3ccccc3F)CC2)c1 54851852 CUZYWYQMGZKIKU-UHFFFAOYSA-N 302.353 1.679 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1Cc1nc(Cc2ccccc2)no1 51591325 ATFHCZKXQJWWPY-AWEZNQCLSA-N 314.389 1.713 0 40 DDAB O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2[nH]nnc2c1 58217699 GVJRVYSZYZCOLO-UHFFFAOYSA-N 319.328 1.850 0 40 DDAB CS(=O)(=O)CCNCc1ccc(F)cc1Br 37750628 DQSBJIUDPUYFIB-UHFFFAOYSA-N 310.188 1.722 0 40 DDAB OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCCC1 1615105442 JMBWXVLPNCKZAH-GOSISDBHSA-N 321.417 1.434 0 40 DDAB Nc1cc(-c2cccs2)nn(CC(=O)NC2CCCC2)c1=O 12146593 GBNSUYURJOKVJW-UHFFFAOYSA-N 318.402 1.613 0 40 DDAB Cc1occc1-c1nn(C2CCN(C(=O)C3CC3)CC2)c(=O)o1 12184916 VMIQGCILRVNCDA-UHFFFAOYSA-N 317.345 1.978 0 40 DDAB O=C(O)c1cc2nc(-c3cnccn3)cc(C(F)(F)F)n2n1 12848041 SHFZDAVNNPNZMN-UHFFFAOYSA-N 309.207 1.903 0 40 DDAB O=C(NC[C@H]1OCCc2ccccc21)C(=O)NC1CCCCC1 16857403 VARQTPBTBGFBAT-MRXNPFEDSA-N 316.401 1.866 0 40 DDAB CN(C)Cc1ccc(Cl)cc1B(O)OC(C)(C)C(C)(C)O 206065309 LSYYSCYBTPLQTQ-UHFFFAOYSA-N 313.634 1.655 0 40 DDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3c(C)noc3C)C2)n1 390828540 RUJAYPRWZSCDED-CYBMUJFWSA-N 316.361 1.992 0 40 DDAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCNC1=O 6543911 BMCWFGWZAWSPFK-UHFFFAOYSA-N 318.358 1.304 0 40 DDAB O=C1C[C@H](Cn2ccn3nccc3c2=O)CN1Cc1ccccc1 1888904308 OJSIDPHYEFOEGD-OAHLLOKOSA-N 322.368 1.545 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccnc(C)n2)C1 1848353860 NTUKDYKISNFBQN-CYBMUJFWSA-N 312.439 1.551 0 40 DDAB O=C1OCCN1[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 853807067 RRHVWHNSHFSTFF-QMMMGPOBSA-N 302.256 1.526 0 40 DDAB O=S1(=O)CCCC[C@@H]1CN=c1cc[nH]cc1Br 329218234 ROIYKAOKLGTCDL-SECBINFHSA-N 319.224 1.645 0 40 DDAB O=C([C@@H]1CN(c2ccccn2)CCO1)N1CCC(F)(F)CC1 2087126099 DPOJZAQKMKPQSK-LBPRGKRZSA-N 311.332 1.545 0 40 DDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccccc1 15787064 LEQZZTUBPCCAFJ-UHFFFAOYSA-N 315.358 1.141 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCc1cc(-c2ccco2)cs1 1775967927 GKGPOODYQLCVPC-UHFFFAOYSA-N 318.354 1.773 0 40 DDAB O=C(c1cnccn1)N1CC(c2nc(-c3cccs3)no2)C1 49484331 WPBVMIFXKRWMOK-UHFFFAOYSA-N 313.342 1.828 0 40 DDAB O=C(O)CCc1nnc2n(c1=O)N=C(c1ccccc1)CS2 20272640 OZXIQDYWXTWUHG-UHFFFAOYSA-N 316.342 1.014 0 40 DDAB NC(=O)N[C@H](CC(=O)NCc1ccccn1)c1ccccc1F 40498479 PBBXYNFZGBAQEM-CQSZACIVSA-N 316.336 1.637 0 40 DDAB Cc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)on1 40477373 NSERFUZFMRGWCY-ZDUSSCGKSA-N 319.361 1.688 0 40 DDAB Cc1cc(C)n(CC(=O)NCCc2ccc3c(c2)OCO3)n1 31523232 JKTSJNOYCXEOLV-UHFFFAOYSA-N 301.346 1.588 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 40520215 UIBQKXODONPSCK-MRVPVSSYSA-N 324.328 1.013 0 40 DDAB CCCOc1c(Cl)cc(C(=O)NS(C)(=O)=O)cc1OC 40544092 PPRDCHKBRZQNER-UHFFFAOYSA-N 321.782 1.827 0 40 DDAB CC[C@@H](C)N(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@H](C)CC 20607121 DZFZTNKMSKXPFR-VXGBXAGGSA-N 319.409 1.556 0 40 DDAB O=C(CSc1nncn1CC(F)(F)F)NCc1ccco1 51974230 FOENNLCCZZTGGD-UHFFFAOYSA-N 320.296 1.842 0 40 DDAB O=c1c2c3c(sc2n2nnnc2n1-c1ccccc1)CCC3 305943 SORULYJWIBEWBH-UHFFFAOYSA-N 309.354 1.979 0 40 DDAB COc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1 41362505 BZOKCGLMLCSPNC-UHFFFAOYSA-N 305.422 1.453 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@H]1Cn1cccn1 71865359 ZUMLNWYUWCDISO-JYJNAYRXSA-N 321.421 1.848 0 40 DDAB Cc1cc(C(=O)NCCN2CCOCC2)nn1-c1ccccc1 41453751 UNHIYBIPMKURAK-UHFFFAOYSA-N 314.389 1.243 0 40 DDAB O=C(C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 8745444 FNFKZZDXYNVRMY-HNNXBMFYSA-N 314.385 1.319 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c(C)c1 787161 YIAYGHSLPZOVGO-LBPRGKRZSA-N 306.362 1.374 0 40 DDAB CC(C)OC(=O)CCNC(=O)Cc1ccc2c(c1)OCCO2 52968566 BDOLACHBLIPRGM-UHFFFAOYSA-N 307.346 1.458 0 40 DDAB Cc1cc(C)cc(C[C@H](C)NS(=O)(=O)N2CCOCC2)c1 76062342 WGJPEEDRANHLET-AWEZNQCLSA-N 312.435 1.401 0 40 DDAB CCOC(=O)c1cnc2ccc(C)cc2c1N(C)CC(=O)NC 78869901 FTMOQCJRHPTMIW-UHFFFAOYSA-N 315.373 1.902 0 40 DDAB CN(CCNC(=O)[C@@H]1CCN(C)C(=O)C1)Cc1ccccc1 53348624 OICVXFMXDFRYBM-OAHLLOKOSA-N 303.406 1.103 0 40 DDAB Cc1csc(=O)n1CCC(=O)NCCN1CCC[C@@H](C)C1 46879679 VOGGFAHGFGUPBO-GFCCVEGCSA-N 311.451 1.456 0 40 DDAB C[C@]1(NC(=O)CCCc2cccs2)CCS(=O)(=O)C1 22740713 ZINGBGOUNMQVLM-ZDUSSCGKSA-N 301.433 1.764 0 40 DDAB Cc1nn(Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C 6550882 IRVQZFMTBDZFEO-UHFFFAOYSA-N 311.382 1.938 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 7399652 DMUQNXXYZUDIKG-QGZVFWFLSA-N 315.373 1.962 0 40 DDAB O=C(Nc1nc[nH]n1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 23143377 YCNCTBNTDNUEPP-UHFFFAOYSA-N 324.344 1.493 0 40 DDAB COc1ccc(CC(=O)N(CC(N)=O)C2CCCC2)cc1OC 47236192 GVAIYASKRZYGCD-UHFFFAOYSA-N 320.389 1.503 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccs1 42872788 OVCVPGNKLZWDIA-WDEREUQCSA-N 314.432 1.782 0 40 DDAB CCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC(C)=O 12411498 YFSUDVGUOXITLH-UHFFFAOYSA-N 308.334 1.281 0 40 DDAB Cc1noc(C)c1COC(=O)CCN1C(=O)NC(C)(C)C1=O 24870131 CDTLXPLIOKTQSD-UHFFFAOYSA-N 309.322 1.055 0 40 DDAB Cc1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)c(F)c1 43323909 FNARPJSZTMYRCJ-UHFFFAOYSA-N 317.386 1.537 0 40 DDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1C[C@H]1CCOC1 107781130 YPMVJZHKSMBVNW-QWHCGFSZSA-N 318.421 1.322 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N1CCO[C@H](C)C1 9854084 DHCBYLOENBUIRX-GFCCVEGCSA-N 306.362 1.062 0 40 DDAB CCC[C@](C)(CNC(=O)[C@@H]1CCCO1)NC(=O)[C@H]1CCCO1 106915667 MSVPJVHDQOCAAX-WOSRLPQWSA-N 312.410 1.136 0 40 DDAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)COC)cn2C 22237405 ZMQHBTUJNKIONS-LLVKDONJSA-N 318.373 1.702 0 40 DDAB NC(=O)c1ccc(Cl)cc1OCC(=O)NCc1ccco1 58191407 OULYJGWGHPUHNU-UHFFFAOYSA-N 308.721 1.727 0 40 DDAB COCCOCCC(=O)NC[C@H]1CCN(C)c2ccccc21 58198067 ZIKKRQAXFPYGNK-CQSZACIVSA-N 306.406 1.779 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCOCC1 44891210 CEYOATGVUMKGHC-CQSZACIVSA-N 307.394 1.848 0 40 DDAB Cc1ncsc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 44939730 BKEPFALDGCWIHR-ZDUSSCGKSA-N 311.451 1.928 0 40 DDAB CC1CCN([C@H](C)CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 58309247 BYDVNUKYXSRBNC-ZIAGYGMSSA-N 321.421 1.635 0 40 DDAB C[C@@H](C(N)=O)N1CCO[C@H](c2ccccc2Br)C1 58406190 WERUDRXWQJPLDN-CABZTGNLSA-N 313.195 1.696 0 40 DDAB CCCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 48211003 XJZINZRXNHONNQ-UHFFFAOYSA-N 300.362 1.599 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1ncc2ccccc2c1=O 48265450 MZTLVQKGPDWNPR-ZDUSSCGKSA-N 315.373 1.282 0 40 DDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 45741846 GDLFVMGMZVFSFT-JTQLQIEISA-N 312.420 1.445 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@@H]3COc4ccccc4C3)nn12 45785474 LIAZSVVCGYMAIF-LBPRGKRZSA-N 309.329 1.166 0 40 DDAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(CNC(N)=O)cc1 29378754 FTDWYEWAIIDKKD-LBPRGKRZSA-N 312.373 1.873 0 40 DDAB Cc1ccnc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 8706743 CSYIYRIZLOGFFU-UHFFFAOYSA-N 310.313 1.032 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(N)cc(=O)[nH]1 12928906 AVXOZHMKKLMKHP-JTQLQIEISA-N 318.402 1.630 0 40 DDAB COc1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)c(OC)c1 13171314 WXWXKNRCNISTNH-LBPRGKRZSA-N 307.346 1.570 0 40 DDAB NC(=O)CN1CCC(NC(=O)CCCc2ccccc2)CC1 71850413 FNFIVDHEKCFWKM-UHFFFAOYSA-N 303.406 1.075 0 40 DDAB Cn1c(=O)oc2ccc(NC(=O)NCCN3CCCCC3)cc21 65566236 YNFLKKDAFSNRQH-UHFFFAOYSA-N 318.377 1.739 0 40 DDAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 6677953 MUTWHPABYVPXKO-AWEZNQCLSA-N 304.390 1.971 0 40 DDAB O=C(Cc1c(O)c2ccccc2[nH]c1=O)NC[C@@H]1CCCO1 5687479 PDKNIXUQHZFTNE-JTQLQIEISA-N 302.330 1.071 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cccc(Cl)c1 4921135 CCLJFOCQKAZYQN-ZCFIWIBFSA-N 324.797 1.809 0 40 DDAB C[C@]1(C(=O)OCC(=O)NCC(F)(F)F)CC1(Cl)Cl 7016193 VPSGUAIDFURCLY-SSDOTTSWSA-N 308.083 1.792 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306130414 JFRRFVMSSXMDPN-CQSZACIVSA-N 320.389 1.252 0 40 DDAB CCCn1nnnc1COc1ccc(C(=O)OC)cc1OC 7694247 OSBYTXDQPPQFEV-UHFFFAOYSA-N 306.322 1.457 0 40 DDAB CC(=O)N[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)C(C)C 7989054 UEVPYXXKKVMYGD-INIZCTEOSA-N 320.389 1.277 0 40 DDAB O=C(NCc1cccnc1)Nc1cc(-n2cnnn2)ccc1F 71795616 IDDLQESRTMLYAX-UHFFFAOYSA-N 313.296 1.518 0 40 DDAB COC(=O)c1ccc(N[C@H](C)c2ccc3c(c2)CC(=O)N3)nn1 69367657 CTOQVDBBRYXRRI-SECBINFHSA-N 312.329 1.931 0 40 DDAB CNC(=O)[C@H]1CCCN1CC(=O)N(Cc1ccccc1)C1CC1 69484599 PCTHMIJJVHJVKN-MRXNPFEDSA-N 315.417 1.388 0 40 DDAB CN(C)C(=O)CN1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 69455374 VOMLISWZDPHRAA-UHFFFAOYSA-N 322.453 1.568 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)S1 96426932 SVQSIKFZOSTIIC-JTQLQIEISA-N 324.837 1.984 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)NCc1ccco1)c(=O)[nH]n2C 69509453 LNIYHBCELYLMGG-UHFFFAOYSA-N 314.345 1.330 0 40 DDAB OCCN1CCC(CNCc2nc(-c3ccoc3)no2)CC1 69565093 NSHKKCGODNAZEX-UHFFFAOYSA-N 306.366 1.124 0 40 DDAB CC(C)c1nc(CCNC(=O)N[C@H](C)C(=O)N(C)C)cs1 69587498 VMPYHEHZMPHGIH-SNVBAGLBSA-N 312.439 1.585 0 40 DDAB CCCCS(=O)(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 69814581 KKUWITCXACUUDM-CYBMUJFWSA-N 318.483 1.991 0 40 DDAB Cc1nc2n(n1)C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)CC2 69894967 NAIKSBPXWLGZHM-HOCLYGCPSA-N 313.405 1.320 0 40 DDAB C/C=C/C=C/C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69841558 QLHUUZBOWKIXRU-KNDFOWRESA-N 308.403 1.986 0 40 DDAB Cc1noc(CNc2ccccc2C(=O)N2CCC[C@H]2CO)n1 69895620 HGJJHZFWGBVPOL-LBPRGKRZSA-N 316.361 1.587 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](c2ccn[nH]2)C1 72282822 LQJQWBQUZSGOTH-MLGOLLRUSA-N 313.357 1.956 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3cncnc3C)CC2)nn1 72279593 OGEIIGQMAXNDKZ-UHFFFAOYSA-N 312.377 1.236 0 40 DDAB O=c1[nH]c2ccccc2nc1CN1CCN(c2ncccn2)CC1 97201064 DMNFMLUKYCKNBE-UHFFFAOYSA-N 322.372 1.035 0 40 DDAB O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1nccs1 97199820 PFKDLPYJVAZRGO-SECBINFHSA-N 310.404 1.612 0 40 DDAB C[S@](=O)C[C@@H](NC(=O)c1ncccc1O)c1ccccc1 97141376 BQWVHUGDEXDIRR-XUSGNXJCSA-N 304.371 1.637 0 40 DDAB C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 84640234 IAYLMDUSYPRSGU-ITMYJUKJSA-N 312.316 1.591 0 40 DDAB CC(C)n1nccc1NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 95434632 JKULQGLIBMHKCT-UHFFFAOYSA-N 318.381 1.993 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ccncc3Cl)CC2)no1 95437754 YMHRQOPPQNNWIQ-UHFFFAOYSA-N 306.753 1.994 0 40 DDAB CCCCN1C(=O)c2ccc(C(=O)NC[C@H](C)O)cc2C1=O 98075866 NRUIQUDDGDXLOX-JTQLQIEISA-N 304.346 1.193 0 40 DDAB Cc1cnc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)cn1 95992888 XQCWPGSPOKXYIR-UHFFFAOYSA-N 312.308 1.885 0 40 DDAB CCc1nc2ccccc2n1CC(=O)N1CCN(C)C[C@H]1C 89295850 XOXLRPPNRGCIGB-CYBMUJFWSA-N 300.406 1.761 0 40 DDAB O=C(NCc1ccccc1CN1CCC(O)CC1)c1c[nH]cn1 75093106 FWEAMCFGHAVOQN-UHFFFAOYSA-N 314.389 1.296 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 27338857 WCEBZHNLSXETKK-MNOVXSKESA-N 314.407 1.277 0 40 DDAB O=C1CC[C@@H](NC(=O)CCCSc2ccccc2)C(=O)N1 89752721 QGPSSMSPWCNKAR-GFCCVEGCSA-N 306.387 1.480 0 40 DDAB CC[C@H](C(=O)N(C)CCc1ncc(C)s1)N1CCCC1=O 89941837 IMDHGLWKLMIOPN-GFCCVEGCSA-N 309.435 1.853 0 40 DDAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(CCO)CC1 75572190 UNVAMOLARIDAGB-UHFFFAOYSA-N 316.323 1.384 0 40 DDAB O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(CCO)CC1 75572605 ASDVMTVZSKPHBQ-RYUDHWBXSA-N 308.344 1.492 0 40 DDAB CN(C)c1ccc(CCNC(=O)C(=O)Nc2ccon2)cc1 23004042 XPENZLARDMWFSX-UHFFFAOYSA-N 302.334 1.038 0 40 DDAB O=C(O)Cn1cnc(NC(=O)c2cnn(C3CCCCC3)c2)n1 1548453375 XONMMVHMHURRJD-UHFFFAOYSA-N 318.337 1.317 0 40 DDAB CCOC(=O)c1c(O)c(I)c(C)[nH]c1=O 62714211 BPCSBCCBLQJVNN-UHFFFAOYSA-N 323.086 1.170 0 40 DDAB CCc1nnc(NC(=O)COc2ccc(C=O)cc2OC)s1 408599817 LLFBZJICVFYIBU-UHFFFAOYSA-N 321.358 1.939 0 40 DDAB O=C(Nc1cccnc1)c1c(-n2cnnn2)sc2c1CCC2 61718891 OUVONXUTAJGDAH-UHFFFAOYSA-N 312.358 1.860 0 40 DDAB CS(=O)(=O)c1nsc(NC(=O)c2ccccc2F)n1 36626350 AFCHIWLCWBZZIX-UHFFFAOYSA-N 301.324 1.333 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C2 72279043 JKUFHPMXTBRULD-IHRRRGAJSA-N 307.394 1.207 0 40 DDAB O=C(NC/C=C/c1ccccc1)NC[C@H]1CCS(=O)(=O)C1 79036085 RBXGEKBOIZZYOA-BTKRWWFXSA-N 308.403 1.434 0 40 DDAB O=C(NCCN[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccn[nH]1 130365775 LHQFJPHCEPHVEM-VHSXEESVSA-N 304.316 1.850 0 40 DDAB CCOc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cn1 44920802 HPIVNZXZTUJDFC-UHFFFAOYSA-N 317.311 1.800 0 40 DDAB CCC(CC)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225049819 BOVBYORKEXMAPP-UHFFFAOYSA-N 320.440 1.600 0 40 DDAB COC(=O)c1ccccc1C(=O)NC(=O)NCc1ccncc1 199416942 NWGCPVPZAGSRCV-UHFFFAOYSA-N 313.313 1.508 0 40 DDAB CC[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nc(C)n[nH]1 81844550 WXCPHCWZMASQNX-LBPRGKRZSA-N 311.349 1.575 0 40 DDAB CCn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21 225686354 YGZBXPKBCWOHTL-UHFFFAOYSA-N 312.416 1.867 0 40 DDAB C[C@@H](Sc1nnc2n(C)c3ccccc3n12)C(=O)N(C)C 80306093 HELVTUYFLKXNEA-SECBINFHSA-N 303.391 1.790 0 40 DDAB Cn1ccs/c1=N\C(=O)CCOCC(F)(F)C(F)F 190864686 QAGJBRDCAUDPQK-DHDCSXOGSA-N 300.277 1.821 0 40 DDAB COCCN1CC[C@@]2(COCCN(CCc3ccccc3)C2)C1 96202027 DBGPSAHXVNKNHH-IBGZPJMESA-N 318.461 1.900 0 40 DDAB CN(C)C(=O)CN1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@H]2C1 96081531 ASCOYAQIQHLNTA-WBVHZDCISA-N 319.424 1.810 0 40 DDAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCC(=O)N(C)C1 96454366 QJRFLPUFBHTPGM-HIFRSBDPSA-N 304.390 1.889 0 40 DDAB O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC1CCCC1)C2 96038722 GTBNTAQIAJCVKR-SJLPKXTDSA-N 322.449 1.516 0 40 DDAB CN(C)CCCNC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96114120 VRMBWVYBZSKAGA-UHFFFAOYSA-N 314.389 1.693 0 40 DDAB biogenic COCCN1CC[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 96062316 NPVAICTUNDHIDN-MRXNPFEDSA-N 308.378 1.091 0 40 DDAB CC(C)[C@@H]1NC(=O)N(Cc2nccn2CC(F)(F)F)C1=O 96413215 GRTIFSMVEVJWMT-VIFPVBQESA-N 304.272 1.522 0 40 DDAB COc1nc(C)ccc1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O 330300212 IIBGODBZRCUSBO-OCCSQVGLSA-N 318.373 1.609 0 40 DDAB COCC(=O)N1CC[C@]2(CC(=O)N(c3ccc(C)s3)C2)C1 96050888 LFEOPVLJYMUENW-HNNXBMFYSA-N 308.403 1.658 0 40 DDAB C[C@H](CNCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1 96494080 HRSLPZLTINYBNZ-LLVKDONJSA-N 302.415 1.847 0 40 DDAB c1cc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc[nH]3)n2)ccn1 96296186 UYHNWOOTRXMMFT-HNNXBMFYSA-N 310.361 1.768 0 40 DDAB biogenic,in-vitro Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)cs1 96042908 OCRBIWZIINCKSO-FPMFFAJLSA-N 309.435 1.519 0 40 DDAB CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2cncn2C1 96206578 XHGRCILBMUKAFF-CQSZACIVSA-N 314.389 1.516 0 40 DDAB CC[C@@H](C(=O)NCC[S@@](=O)c1ccccc1)N1CCCC1=O 96436471 JQQHWOWMFCHJHF-FPTDNZKUSA-N 322.430 1.311 0 40 DDAB O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96058055 BKMJHAIPVRLWFI-GZBFAFLISA-N 324.402 1.184 0 40 DDAB CCN1CCN(c2ccc(C(=O)N[C@@H](C)CCOC)cc2)CC1 96418670 ZCCXVLVDGPBXQL-HNNXBMFYSA-N 319.449 1.983 0 40 DDAB CO[C@H]1CCN(C(=O)c2cnccn2)[C@@H]2CN(CC3CC3)C[C@H]12 96109438 DFMFSQRZOYJOAV-IMJJTQAJSA-N 316.405 1.048 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2F)n[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O 257344901 ZZCJKSOPDDSVLR-RBSFLKMASA-N 319.336 1.172 0 40 DDAB COc1cccc(C(=O)N2CCO[C@@H](c3nccnc3N)C2)c1 257224735 FDCRZAHMPLUCQW-CYBMUJFWSA-N 314.345 1.281 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257298366 RLJJQPBZNSKTJG-ZDUSSCGKSA-N 322.372 1.848 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc(C)n1 257209384 BQDXADRBLCLILJ-CYBMUJFWSA-N 300.366 1.538 0 40 DDAB COCC(=O)N1CCC[C@H]1c1cn2cccc2c(N(C)C)n1 257242345 ICBBBSZRXAMCKZ-ZDUSSCGKSA-N 302.378 1.710 0 40 DDAB CCCS(=O)(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 85467261 ZJLWJJIOAZEVLI-GFCCVEGCSA-N 318.464 1.139 0 40 DDAB Cc1ccn(CCC(=O)N2CCO[C@H](c3cccc(N)n3)C2)n1 257294005 QSAPXRJFGFGZET-AWEZNQCLSA-N 315.377 1.159 0 40 DDAB C[C@@]1(O)CCN(CC(=O)N2CCCC2)C[C@H]1Oc1ccccc1 257225340 FFTPTZQSBMSKDO-SJLPKXTDSA-N 318.417 1.513 0 40 DDAB Cc1cccnc1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257232548 GLIPWTMAPDYOQR-BFYDXBDKSA-N 317.433 1.888 0 40 DDAB CO[C@H](CN)CC(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 262809175 FUNLDHPXJNUWDB-ZMSDIMECSA-N 306.406 1.695 0 40 DDAB Cn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CCCc4cn[nH]c43)cc21 269814508 NFZCEYPAZKZVNO-GFCCVEGCSA-N 311.345 1.397 0 40 DDAB Cn1cnc2c1C[C@@H](CNc1ncccn1)N(CC1CCC1)C2 585094543 APLIZZIMPMNUDI-AWEZNQCLSA-N 312.421 1.849 0 40 DDAB CC(C)CN1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 585105026 YVKGPYHJZLYRCL-MRXNPFEDSA-N 304.394 1.188 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cnc(C)[nH]1)[C@@H]2C 585098722 XXYDWHQCYBFOBS-SNVBAGLBSA-N 303.366 1.321 0 40 DDAB COCCn1cc(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)cn1 585141696 WZHJWKZHMPUOFT-NSHDSACASA-N 303.366 1.561 0 40 DDAB CCCCC[C@]1(O)CCN(C(=O)/C=C/c2cnn(C)c2)C[C@@H]1O 585289809 KCOBTOMRIJHHAG-PDZIMXBZSA-N 321.421 1.338 0 40 DDAB O=C(O)Cc1ccc(S(=O)(=O)N2CC3(C2)CC3(F)F)cc1 926557469 KXEYKVPAXIFRBM-UHFFFAOYSA-N 317.313 1.343 0 40 DDAB CC1(COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)COC1 66522555 IIHCISTYHAZMGO-UHFFFAOYSA-N 317.341 1.529 0 40 DDAB CC[C@@](C)(NC(=O)c1[nH]c(C)c(C(=O)OC)c1C)C(=O)OC 69416689 XTFDAKDBOLIDBZ-OAHLLOKOSA-N 310.350 1.490 0 40 DDAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C[C@@H](C)O)CC2)c1 70038134 MADDUWFNUMPGDR-HYVNUMGLSA-N 302.418 1.624 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 71907887 PYMFTQKRGMQDSX-GFCCVEGCSA-N 322.352 1.829 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)no1 72280239 SDCZLYUDIGGMJF-LLVKDONJSA-N 304.354 1.494 0 40 DDAB C[C@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1)C(=O)N(C)C 46967620 SEEVZKYKUPRWOJ-DZGCQCFKSA-N 303.406 1.880 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 55007903 LVYTUDSPKFANEP-LBPRGKRZSA-N 320.345 1.477 0 40 DDAB COc1ccc(CN(C)CC(=O)Nc2nncs2)cc1F 53097094 HIDWFZIQUIWNBJ-UHFFFAOYSA-N 310.354 1.756 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CC2CCOCC2)C1 84259087 UZCYAJCGUGYBOJ-MRXNPFEDSA-N 321.421 1.832 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C[C@@H]3CCCO3)CC2)cc1 22850268 UFNLCJWTHYOSRZ-KRWDZBQOSA-N 317.433 1.730 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCc2ncc(Cl)cc2C1 13265604 JMFOOGQCCFJPGL-VIFPVBQESA-N 314.794 1.054 0 40 DDAB COc1ccc(C(=O)Nc2nnc3n2CCS3)cc1OC 16959681 WRYOXDOJYCWRIY-UHFFFAOYSA-N 306.347 1.653 0 40 DDAB Cc1cc2nc([C@@H](C)NC(=O)C[C@H]3CCCO3)cc(O)n2n1 19129708 XSTWQEVPYOQMCQ-GHMZBOCLSA-N 304.350 1.490 0 40 DDAB CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 19946099 QXGODZVOBWVZEK-UHFFFAOYSA-N 304.371 1.628 0 40 DDAB CCN1C(=O)NC2(CCN(C(=O)Cc3ccccc3)CC2)C1=O 17288338 SCYKKMQXHWHXLG-UHFFFAOYSA-N 315.373 1.162 0 40 DDAB C[C@@H](c1ccccc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1 36451909 SGOFKAQHBYNERX-XJKSGUPXSA-N 324.446 1.373 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(C[C@H]2CCCCO2)C1)C1CC1 1889116306 YUJFKMKCGGNBCK-CHWSQXEVSA-N 302.440 1.102 0 40 DDAB CCCOc1ccc(OCC(=O)NCC(=O)NC(C)C)cc1 17806680 OTVBOUJSJSDNEU-UHFFFAOYSA-N 308.378 1.495 0 40 DDAB COCc1cnc2n1CCN(C(=O)CCc1ccc[nH]1)[C@H]2C 1565554182 STCRZSJUCJCYKF-LBPRGKRZSA-N 302.378 1.894 0 40 DDAB CCCNc1nc(SC)nc2c1cnn2CCNC(C)=O 8940168 BKXSEKNDNMEEPW-UHFFFAOYSA-N 308.411 1.506 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1ccncc1 13806412 UKKDTRXMKSKFKY-UHFFFAOYSA-N 320.352 1.622 0 40 DDAB COc1ccc(C(=S)NCCN2CCOCC2)c(OC)c1 22134037 ULBLGNYDLSTFLJ-UHFFFAOYSA-N 310.419 1.301 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3ncnc4c3CCC4)C2)nc1 2086881866 QVYNGPGQDFRJIN-LLVKDONJSA-N 313.361 1.422 0 40 DDAB CCc1nccn1CC1CN(c2nc(OC)cc(OC)n2)C1 2086884462 WQQIAXPOMULSAP-UHFFFAOYSA-N 303.366 1.389 0 40 DDAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccccc1F 5156251 ULNBKCBJTNMXII-LBPRGKRZSA-N 314.382 1.920 0 40 DDAB CCOC(=O)c1c(C)oc2ncn(Cc3ccccn3)c(=O)c12 31758740 YLJVRBLQYLUVES-UHFFFAOYSA-N 313.313 1.918 0 40 DDAB CC(C)COC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 100886065 XWYTZJYDSLCDCZ-FSZRXZPDSA-N 319.401 1.910 0 40 DDAB Cc1cnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 101873336 RZBKVBXMQDMLBS-AOOOYVTPSA-N 305.359 1.341 0 40 DDAB CN(C)CCNC(=O)CCc1nc(-c2ccc(F)cc2)no1 41184637 WIWWFDIDSNOYBY-UHFFFAOYSA-N 306.341 1.486 0 40 DDAB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc2c(c1)OCO2 32902919 BBIAIGJFGJKSLE-LLVKDONJSA-N 323.370 1.536 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CSCN1)CC2 21811285 KZBGRQCANWATQV-LBPRGKRZSA-N 308.403 1.251 0 40 DDAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1ccc2c(c1)OCO2 2650573 QLVSJYMAENQAKP-SNVBAGLBSA-N 316.313 1.938 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 488828 UUPIQDRVFLAETN-AFIMGQEJSA-N 313.353 1.450 0 40 DDAB COc1ccc2nc(NC(=O)c3ccc(=O)n(C)n3)sc2c1 2661705 KGSRGZDDHWKHQA-UHFFFAOYSA-N 316.342 1.651 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1nccn1C 76042805 UGOIEJYFHYKSQB-BBRMVZONSA-N 303.410 1.638 0 40 DDAB COC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC 1630761 UHZPUECRIUNUCK-UHFFFAOYSA-N 312.318 1.217 0 40 DDAB CCOc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 78789158 XPPCCRRCVRENJJ-DLBZAZTESA-N 318.417 1.757 0 40 DDAB CN1CC[C@H](NC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)C1=O 83877475 AHHMAIOABVWEMU-XUWXXGDYSA-N 313.401 1.420 0 40 DDAB COC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 6412822 MRGGPSFQOAAEPE-UHFFFAOYSA-N 316.342 1.374 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 6432474 JKZLCEQDYASCPC-UHFFFAOYSA-N 314.407 1.184 0 40 DDAB CCN1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 22877015 RKGAJHGBEHLYPN-CQSZACIVSA-N 307.413 1.510 0 40 DDAB COCCN1CCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 54055612 AIRWLLLNVJPKSC-UHFFFAOYSA-N 323.466 1.857 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 25049184 FLBCPXXPIQLRAT-UHFFFAOYSA-N 320.437 1.663 0 40 DDAB CCOC(=O)C1=C(CN2CC[C@H]3CCCC[C@@H]3C2)NC(=O)NC1 57752409 YVOODVUQGWVPDH-CHWSQXEVSA-N 321.421 1.629 0 40 DDAB Cc1c(C(=O)N2CCN(CCc3cccs3)CC2)cnn1C 56302521 RYVHEEKJCLYLAV-UHFFFAOYSA-N 318.446 1.791 0 40 DDAB NC(=O)C1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 25706995 LJKPTFYHCBBFMD-UHFFFAOYSA-N 316.336 1.349 0 40 DDAB Cc1cc(COC(=O)COc2ccc3c(c2)CCC(=O)N3)on1 25770402 WTWJRIGQQPYSML-UHFFFAOYSA-N 316.313 1.990 0 40 DDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 1642752 VUYWLCHFKCFCNH-WDEREUQCSA-N 314.382 1.611 0 40 DDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1 57209460 JNFYSHGFPHMVJC-ZSOIEALJSA-N 320.370 1.605 0 40 DDAB Cn1nc(C(=O)N2CCCCC2)cc1OCC(=O)N1CCCC1 57355340 DKUNYFMPOJXZKD-UHFFFAOYSA-N 320.393 1.047 0 40 DDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCCOc1ccccc1 29854577 OQXOMHLJKFAMEK-ZDUSSCGKSA-N 319.405 1.764 0 40 DDAB CCOc1ncccc1CNS(=O)(=O)N1CCC[C@H](C)C1 28041733 FVABKWHIHNSEDJ-LBPRGKRZSA-N 313.423 1.547 0 40 DDAB COc1ccc(CCNC(=O)c2cc(C)n(C)n2)cc1OC 28230292 ZTQFBEQJVDOFTR-UHFFFAOYSA-N 303.362 1.718 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(C)C)c1C 3288183 VUNBXYLUJMVULP-UHFFFAOYSA-N 310.350 1.490 0 40 DDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C 100128516 VOZKHMKOJIGIKZ-CHWSQXEVSA-N 320.437 1.149 0 40 DDAB C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C/C 12647466 LBGZSEVKUSMUFM-YDFGWWAZSA-N 306.391 1.668 0 40 DDAB CC(=O)c1cccc(-n2c(=S)[nH]cc(CC(=O)O)c2=O)c1 20156352 MRZDXWYHVNZRSD-UHFFFAOYSA-N 304.327 1.725 0 40 DDAB CC(C)(C)OC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 58245956 ABDMFJDAXAKXNN-CQSZACIVSA-N 319.405 1.766 0 40 DDAB CN(Cc1nc2ccccc2s1)C[C@@H](O)Cn1cccn1 44975166 CBSAQLIVIFNNAQ-GFCCVEGCSA-N 302.403 1.986 0 40 DDAB C[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)[C@@H]1CCCO1 27907731 KNDXKQIHAFMILZ-YPMHNXCESA-N 316.361 1.748 0 40 DDAB CCOC(=O)c1nnn(-c2ccc(Br)cc2)c1N 20272545 UKAJPZBJJFOHOH-UHFFFAOYSA-N 311.139 1.789 0 40 DDAB CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1 36350863 QFQXAVJADGWFDW-LBPRGKRZSA-N 310.419 1.999 0 40 DDAB CCCn1nc(C(=O)NC[C@H]2CCCO2)c2ccccc2c1=O 12793155 DAQPBWAAPAQZAC-GFCCVEGCSA-N 315.373 1.715 0 40 DDAB Cc1nc2n(n1)C[C@@H](NC[C@@H](O)c1ccc(F)cc1F)CC2 69952184 AVQWUGKAFZMDBC-SMDDNHRTSA-N 308.332 1.503 0 40 DDAB C[C@@H]1CN(C(=O)COc2ncnc3ccccc23)C[C@@H](C)O1 3399369 DUNLBNKKNFNJBO-VXGBXAGGSA-N 301.346 1.644 0 40 DDAB CCCc1noc(Cn2nnn(-c3ccccc3Cl)c2=O)n1 29617168 QRAQKRJJPQNZNP-UHFFFAOYSA-N 320.740 1.466 0 40 DDAB C[C@H](NC(=O)NCc1ccnc(-n2cccn2)c1)[C@H]1CCCO1 48300972 SZYDLVPACQKXBT-GXTWGEPZSA-N 315.377 1.634 0 40 DDAB COc1ccc(S(=O)(=O)N(CC(N)=O)CC(C)C)c(C)c1 48369203 PUMXYONXQWNGTQ-UHFFFAOYSA-N 314.407 1.136 0 40 DDAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(S(N)(=O)=O)cc1 3490948 RNROEOMZNKOSTO-SNVBAGLBSA-N 324.427 1.815 0 40 DDAB CCNC(=O)[C@H](C)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 8724591 UAOZCCHYXWDSEA-NEPJUHHUSA-N 307.394 1.527 0 40 DDAB CCCNC(=S)Nc1ccc(N2CCOCC2)c2nonc12 13754414 BJPXNEQTQZWZEX-UHFFFAOYSA-N 321.406 1.756 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 65403888 CMPXKUKMQFVNRK-OAHLLOKOSA-N 317.433 1.724 0 40 DDAB NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 14014594 AMVMLTATPVSBFP-UHFFFAOYSA-N 308.334 1.403 0 40 DDAB CN(CCN1CCOCC1)C(=O)CCn1ccc2ccccc21 65529823 JKAIXUDIBUAINY-UHFFFAOYSA-N 315.417 1.822 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@H]1C[C@@H]1c1ccco1)C2 71860229 LDLIOOKUVGNXTI-STQMWFEESA-N 312.373 1.824 0 40 DDAB CC(C)c1cc(C(=O)N(Cc2nccn2C)C2CC2)nc(N)n1 67920001 FFICBMNCUBTYJF-UHFFFAOYSA-N 314.393 1.721 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(CSc2ncn[nH]2)cc1 7777778 HQWWPHFEZUFMHA-JTQLQIEISA-N 306.391 1.862 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1noc(-c3ccccc3)n1)CC2 71879331 BKBQMAMLIIFSLE-ZDUSSCGKSA-N 310.361 1.741 0 40 DDAB C[C@]1(NC(=O)c2cc3c(s2)CCCC3)CCS(=O)(=O)C1 69294427 WSXJOURLABYBLE-AWEZNQCLSA-N 313.444 1.934 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 69322599 QIEXZZYYAOKYCI-VHSXEESVSA-N 300.355 1.064 0 40 DDAB COc1ccc(C[C@H](C)N(C)C(=O)Cn2cccnc2=O)cc1 69454508 OMFGSCRLIRSCSQ-ZDUSSCGKSA-N 315.373 1.342 0 40 DDAB Cc1cnn(C[C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)c1 69454042 CRFMDSWSSOXBMU-HOTGVXAUSA-N 314.389 1.119 0 40 DDAB CC(=O)c1ccc(CNc2cnn(C)c(=O)c2Cl)nc1C 91624097 YSJALDHLEITJIJ-UHFFFAOYSA-N 306.753 1.952 0 40 DDAB COc1ccc([C@H]2C[C@H]2C(=O)N(C)CC(=O)N2CCCC2)cc1 69571317 ZSXXXVVPZZUPRI-HZPDHXFCSA-N 316.401 1.880 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)CSC)CC2)n1 69514067 CMEHUJZXWSCYIW-UHFFFAOYSA-N 310.423 1.195 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1nc3ccccc3o1)CC2 72302213 NOSFUBPUQSOUSJ-UHFFFAOYSA-N 310.357 1.963 0 40 DDAB C[C@H](C(=O)NCc1ccc(CS(N)(=O)=O)cc1)n1cccc1 97230211 GEDYUFIRYNOWNT-GFCCVEGCSA-N 321.402 1.154 0 40 DDAB Cn1cc(S(=O)(=O)N2CCC(Nc3ccccn3)CC2)cn1 84318727 QGQWUAJABCFCFK-UHFFFAOYSA-N 321.406 1.080 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NCc1nc(-c2cccnc2)no1 72401726 FNOAIABCVNCUHA-QWRGUYRKSA-N 316.317 1.105 0 40 DDAB Cc1ncc(Cl)c(C(=O)N2CCC[C@@H](n3cncn3)C2)n1 72293125 OTINSECKSBFGSP-SNVBAGLBSA-N 306.757 1.507 0 40 DDAB Cc1cccc(C)c1OCC(=O)Nc1ccn(CC(N)=O)n1 84225321 SDSGKGZBLSVIGI-UHFFFAOYSA-N 302.334 1.003 0 40 DDAB CO[C@@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1 97147418 WGOCHFYCCPCMOJ-LSDHHAIUSA-N 316.332 1.856 0 40 DDAB CC(C)c1nc(N(C)C)nc(N2CCCC[C@H]2c2nc[nH]n2)n1 95467649 UCBSLEDEKNLMEO-NSHDSACASA-N 316.413 1.911 0 40 DDAB Cn1cc(C(N)=O)c(NCC(=O)NC2CCCCCCC2)n1 95460345 XLMQRZPCRHJWKK-UHFFFAOYSA-N 307.398 1.160 0 40 DDAB O=C(O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 98211120 YDWOOJLEZCVIMA-UHFFFAOYSA-N 300.362 1.909 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)C[C@H]1CCS(=O)(=O)C1 95949069 QOZRVYBNLOTHPX-LLVKDONJSA-N 300.380 1.075 0 40 DDAB CCc1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1 89295637 VHZVBFMFGVBVPU-UHFFFAOYSA-N 304.301 1.731 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)c(=O)[nH]1 75118984 WIDXSRUSBIXNTE-UHFFFAOYSA-N 317.414 1.703 0 40 DDAB CCCN1CC[C@H](CNC(=O)NCc2c(C)cc(C)[nH]c2=O)C1 75122577 LAIYCONIJPTZOY-CQSZACIVSA-N 320.437 1.523 0 40 DDAB COC(=O)[C@@H](NCCn1cc(Br)cn1)C(C)(C)C 89621445 DQEBDBPLJWIRSD-SNVBAGLBSA-N 318.215 1.823 0 40 DDAB O=C(c1ccncc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300006 ALEVAWOWZYAEPE-UHFFFAOYSA-N 323.396 1.975 0 40 DDAB CCN1CCN(C(=O)c2cccnc2N2CCCC2)[C@@H](C)C1=O 548300382 NPYAYXYUHZFCQL-ZDUSSCGKSA-N 316.405 1.375 0 40 DDAB C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79393057 YCCBAQBDDAFRQG-CFVMTHIKSA-N 319.405 1.687 0 40 DDAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)cc2c1OCO2 66091462 SMVATRJLDYNQAL-SNVBAGLBSA-N 315.329 1.940 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1CCCc1nc2ccccc2o1 185524210 YEZVWMVFHDGFOY-DGCLKSJQSA-N 304.346 1.369 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@H]1c1cccc(F)c1 72241772 WNOMYFQZIMMJEY-ZIAGYGMSSA-N 319.292 1.351 0 40 DDAB CC(=O)N1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 72379359 RAYSZUVISASDDS-AWEZNQCLSA-N 311.345 1.807 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCCCN1CCN(C)CC1 72782074 OJROOLGUDCHHIY-HNNXBMFYSA-N 305.422 1.208 0 40 DDAB CCOC(=O)c1c(C)csc1NC(=O)[C@@H](C)S(C)(=O)=O 79038128 GAVXSFCWXRHPQC-MRVPVSSYSA-N 319.404 1.605 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1F 77939405 VQIIYDAGCPIRDP-FZMZJTMJSA-N 308.353 1.740 0 40 DDAB CCOCc1cccc(S(=O)(=O)NCCCn2ccnc2)c1 71195463 XXWZIXZGRNLRRN-UHFFFAOYSA-N 323.418 1.788 0 40 DDAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 181904692 SXOCBSOIPGEORS-WDEREUQCSA-N 301.701 1.900 0 40 DDAB CCN(C)c1ccccc1NC(=O)NC[C@@H]1CN(C)CCN1C 77485300 QXBNNQJRLBKQHJ-CQSZACIVSA-N 319.453 1.510 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1C 14253064 DLTMDTKEPJUQPD-UHFFFAOYSA-N 311.403 1.831 0 40 DDAB CC(C)CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([C@@H](C)O)C1 195560273 IUJPFQJGWKUVJG-BZUAXINKSA-N 311.470 1.909 0 40 DDAB Cc1occc1-c1nnc(S(=O)(=O)CCn2cccn2)n1C 195107476 AWQLVACTNMFNGY-UHFFFAOYSA-N 321.362 1.054 0 40 DDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCc2ccccc2CC1 130904689 RKMOEBMGGLLOQZ-RHSMWYFYSA-N 318.417 1.991 0 40 DDAB C[C@H]1CN(CC(F)(F)F)CCN(c2cc(=O)n(C)cn2)C1 572014953 DLOBWESISKBWHJ-JTQLQIEISA-N 304.316 1.101 0 40 DDAB CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cccnc1 88794167 KVBWBVMJOVZCSA-UHFFFAOYSA-N 309.391 1.427 0 40 DDAB CC(=O)Nc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 225693125 MWAMVUWNTSVDDU-CRWXNKLISA-N 316.313 1.238 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc2ccccc2o1 96454870 IGOMVVVPXVOHTA-GFCCVEGCSA-N 322.386 1.587 0 40 DDAB C[C@H]1CN(C(=O)NCC[C@@H]2CCCO2)CCN1CC(F)(F)F 96485865 YIJSQNRICBDYJU-RYUDHWBXSA-N 323.359 1.834 0 40 DDAB O=C([C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@H]1O2)N1CCCC1 96253163 VSERIDYWZYACOD-IXDOHACOSA-N 300.402 1.898 0 40 DDAB Cc1c[nH]cc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1=O 332282374 FAGSVIPUNLFBEE-ZDUSSCGKSA-N 304.371 1.959 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc(O)cc3)[C@H]2C1 96244898 GECVUQLMQLFSDU-DOMZBBRYSA-N 315.398 1.805 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3ccc(C)o3)C2)C1 96062301 HJMMONFYOGBKGD-QGZVFWFLSA-N 308.422 1.759 0 40 DDAB CCS(=O)(=O)CC(=O)NC[C@]1(C)CCCc2ccccc21 96491130 IGCAWPCUBKJJQL-INIZCTEOSA-N 309.431 1.832 0 40 DDAB c1cnn(C[C@H]2CC[C@]3(COCCN(Cc4ccoc4)C3)O2)c1 96063379 HUXVHDNTFZBDAA-SJORKVTESA-N 317.389 1.926 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(c2ncc(Cl)cn2)C1 95406778 LUKDMNMBHSIHJA-MNOVXSKESA-N 312.801 1.498 0 40 DDAB Cc1ccc(N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)nn1 96041123 KNSKRWDKEZTVDI-SOUVJXGZSA-N 316.405 1.153 0 40 DDAB COCCn1c2c(ccc1=O)C[C@@H](NCc1ccco1)CC2 96189656 UZXBVKOQISTBGC-AWEZNQCLSA-N 302.374 1.735 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cc(C)no2)Cc2cncn2C1 96206584 XRDWWLJHHWPBSU-LBPRGKRZSA-N 304.350 1.488 0 40 DDAB Cn1cc(CN2CC[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2)cn1 96081527 FIQAFTYTDQRPLS-SJORKVTESA-N 300.406 1.967 0 40 DDAB CN(C)c1cnc(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)cn1 330333715 QAZMLUIGIKCEEA-CQSZACIVSA-N 314.393 1.644 0 40 DDAB O=C(N1CCCC1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96050853 IWTMNMBOXLUQDF-INIZCTEOSA-N 315.377 1.121 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cscn2)Cc2cn(C)nc21 96197990 NQSROZVRLDJKMT-LLVKDONJSA-N 306.391 1.653 0 40 DDAB c1ccc(OCc2nnc3n2CCN(Cc2ccco2)C3)nc1 96259038 QKUYNYUWGRDWLA-UHFFFAOYSA-N 311.345 1.861 0 40 DDAB CCOc1cc(Cl)ccc1CNC(=O)[C@H]1CC(=O)N(C)C1 96483768 VEVXVFWLXFROFD-NSHDSACASA-N 310.781 1.833 0 40 DDAB O=C(NC1CCCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475925 RFFUJZLIFIFHAJ-NSHDSACASA-N 312.373 1.975 0 40 DDAB c1cnc(NCc2noc3c2CN([C@H]2CCOC2)CC3)nc1 96259738 XVTOYVOXAGVCMT-NSHDSACASA-N 301.350 1.224 0 40 DDAB COc1ccc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1 96112679 HYVLGVPDCLALJA-ZDUSSCGKSA-N 317.389 1.885 0 40 DDAB biogenic,in-vitro Fc1cnc(N2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)nc1 96072710 WGJHNABSWDNVTN-DOMZBBRYSA-N 316.340 1.256 0 40 DDAB O=C(C1CCC1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247802109 GMTRFEODNRLDES-INIZCTEOSA-N 323.433 1.990 0 40 DDAB Cn1nccc1-c1ccc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 257273554 NHCMPUNXYIFWPT-ZDUSSCGKSA-N 320.418 1.306 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCOc2ccccc2)[C@H]1O 257340940 ZIFDUKFSNFJJCX-BFYDXBDKSA-N 307.390 1.842 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1c[nH]cn1 257332714 XYJDCQKFZZJJDK-AWEZNQCLSA-N 300.362 1.134 0 40 DDAB CC(=O)N1CCC(Cc2nccnc2N2CCOC2=O)CC1 257260706 LDZVZTPQKBHBJM-UHFFFAOYSA-N 304.350 1.234 0 40 DDAB CCCn1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)n1 257301208 RXKCHRBEBXGMAE-RBSFLKMASA-N 309.410 1.684 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cnc(-c3ncco3)cn2)C1 257323295 WJNNSLDYAHKELL-LLVKDONJSA-N 322.390 1.346 0 40 DDAB CC(=O)N1CCC[C@@H]2N(C(=O)c3nccn3C)CCC[C@@]21C 257288456 PUGAPJDWXMGPOO-BBRMVZONSA-N 304.394 1.426 0 40 DDAB Cc1n[nH]cc1CN1CCC[C@H]1c1cncc(CN(C)C)n1 257266060 MBKJYAPFIOYDIW-INIZCTEOSA-N 300.410 1.907 0 40 DDAB NCc1cn(CC(=O)Nc2cc(Cl)cc(Cl)c2)nn1 62271676 RWDRSLAHTIYJJA-UHFFFAOYSA-N 300.149 1.682 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C=O)CC[C@]314 253503938 AZHWHXLRFIFKTO-QDQNSEEQSA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257251777 JSDVAGXMXAMBGD-LBPRGKRZSA-N 310.361 1.781 0 40 DDAB CC(=O)N1CCNC[C@H]1C(=O)NCC(C)(C)c1ccccc1F 257284208 PBTIJVOIAWSHGT-HNNXBMFYSA-N 321.396 1.040 0 40 DDAB CC(C)(C)OC(=O)N1Cc2cnc(N3CCOCC3)nc2C1 575413751 OHMNKVABTARJPL-UHFFFAOYSA-N 306.366 1.564 0 40 DDAB CN(Cc1cnc2ccccc2c1)C[C@@H]1COC[C@@H](O)[C@H]1O 585290403 BZODYBKBDKVPTR-OIISXLGYSA-N 302.374 1.035 0 40 DDAB O=C(c1cncc(O)c1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 585279266 YPTJKUSSDQUOPA-NVXWUHKLSA-N 312.369 1.853 0 40 DDAB O=C(Cc1ccccn1)N[C@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1 585110255 PCZDFUZKRRRGMO-JQHSSLGASA-N 322.412 1.798 0 40 DDAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(C(N)=O)nc1 58411645 JHEUABKJNYMBQT-SMDDNHRTSA-N 305.378 1.506 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCN(C(C)C)C1=O 88559995 DTBSPCNHZQJMLN-CHWSQXEVSA-N 305.426 1.664 0 40 DDAB CCOC(=O)CCN1CCC(NC[C@@](C)(CC)[C@H](C)O)CC1 95986494 OTQWNYDLXGUBQW-WMLDXEAASA-N 314.470 1.791 0 40 DDAB Cc1nnc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)s1 89736458 UKSVEOMJXOHKNT-LSDHHAIUSA-N 316.430 1.936 0 40 DDAB O=C(/N=c1/sccn1Cc1ccccc1F)[C@H]1C[C@H]1[N+](=O)[O-] 103239899 XQKOURAATWYSPN-AAQDIZQESA-N 321.333 1.830 0 40 DDAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(C(=O)N(C)C)cc1 40485079 UBLIDZBXSPZAQG-UHFFFAOYSA-N 300.362 1.991 0 40 DDAB COc1ccc(Br)cc1/C=C1/NC(=S)NC1=O 1423941 HCYUMTVWUSXGEG-VMPITWQZSA-N 313.176 1.803 0 40 DDAB O=C(c1cscn1)N1CCC[C@H](c2ccnc3ncnn23)C1 12157316 XNJCSRBYAADFAR-JTQLQIEISA-N 314.374 1.601 0 40 DDAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)c1ccco1 12185251 RTHIORLZHWWAFN-NSHDSACASA-N 312.329 1.593 0 40 DDAB COCCn1c(=O)n(Cc2cccc(OC)c2)c2cccnc21 12222541 RVPCKORWKMSJKK-UHFFFAOYSA-N 313.357 1.901 0 40 DDAB COc1cccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 12982544 ZHDQXCFYBDVWGA-CJNGLKHVSA-N 320.414 1.765 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Oc2cccnn2)C1 225455336 LATGOUAQYZPAEN-ZDUSSCGKSA-N 316.361 1.694 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)no1 225402013 DLOJCZNGLVYZPY-LLVKDONJSA-N 317.349 1.133 0 40 DDAB O=C(O)[C@@H]1CC2(CCN(C(=O)OCc3ccccc3)CC2)CN1 575441134 FWRCELSWCINNSJ-AWEZNQCLSA-N 318.373 1.852 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(Cl)s1)OC 575612974 OZEYVKASGQXOCW-SNVBAGLBSA-N 313.828 1.731 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(c3ncncc3F)C2)nc1 1889078526 QZHYJISEPBVQLB-GFCCVEGCSA-N 302.357 1.819 0 40 DDAB O=C([C@H]1CN(Cc2ccccc2Cl)CCO1)N1CCOCC1 1889125046 JJPDAEWGWKXDOP-OAHLLOKOSA-N 324.808 1.400 0 40 DDAB Cc1c(C(=O)N2CCO[C@@](C)(C(N)=O)C2)[nH]c2ccc(F)cc12 1848351990 LELKBMPOMKBAOW-MRXNPFEDSA-N 319.336 1.332 0 40 DDAB CN1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)CC[C@@H]2OCC1=O 2037985796 WNDALEIRDFUQNH-ZFWWWQNUSA-N 320.364 1.074 0 40 DDAB O=C(CCc1ccc[nH]1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@@H]2C1 1565550133 QVEBLXXHXCHCKC-GDBMZVCRSA-N 315.417 1.664 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1cc(C)cc(C)c1)OCC 4583609 BTOYISPHNAQVQK-UHFFFAOYSA-N 308.378 1.757 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cc(C(C)=O)[nH]n1)[C@@H]2C 2055731586 HTEIVEJTRSNMHB-SECBINFHSA-N 317.349 1.172 0 40 DDAB C[C@@H](C(=O)NCc1cccs1)n1nnc2ccccc2c1=O 44450457 LJHPQXDWEJPJLK-JTQLQIEISA-N 314.370 1.730 0 40 DDAB COc1nc(CNC(=O)/C=C/c2ccccc2C)nc(OC)n1 575605821 FVGGMILDTMBUKN-CMDGGOBGSA-N 314.345 1.527 0 40 DDAB Cc1ccc(=O)n(CC2CN(c3nc4ccccc4nc3C)C2)n1 585603050 GLUDVRBACXFEEP-UHFFFAOYSA-N 321.384 1.940 0 40 DDAB O=C(NCCN1CCCCC1)c1c(O)[nH]c2ccccc2c1=O 13118887 HZRHOYAKDFTYQO-UHFFFAOYSA-N 315.373 1.449 0 40 DDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 103505571 APBMGWJHCNYEHN-UKRRQHHQSA-N 324.340 1.017 0 40 DDAB O=C(NC1CCCCC1)C1=NN(c2ccccc2)C(=O)CN1 30585669 WKOBOELXYGYHAW-UHFFFAOYSA-N 300.362 1.385 0 40 DDAB Nc1nccnc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 31178367 RWZRNBAIVRXPFC-GFCCVEGCSA-N 302.309 1.412 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2F)C1 40597718 HOKZTCCPQHXTNR-LBPRGKRZSA-N 300.399 1.754 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@@H](C)C3)cn2)n1 40514047 WZPHXKXTCCZWQV-ZDUSSCGKSA-N 300.362 1.745 0 40 DDAB COc1ccccc1-c1cc(C(=O)NCCNC(C)=O)no1 40512452 HWKBUSFOLMIHJR-UHFFFAOYSA-N 303.318 1.216 0 40 DDAB Cc1ccc(CN(C(=O)CN2CCC(C(N)=O)CC2)C2CC2)o1 51186335 OSYKUEINVKJFHE-UHFFFAOYSA-N 319.405 1.276 0 40 DDAB Cc1cc(NC(=O)CCn2c(=O)oc3ccccc32)n(C)n1 32809905 YIXNYOCCPSTOBV-UHFFFAOYSA-N 300.318 1.665 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 102664038 QYFGPQIWWMPKDY-SQLGEJSKSA-N 302.374 1.052 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[C@H](C)C(N)=O 2664090 MNKMYQNJYGSVDZ-WTNCMQEWSA-N 313.357 1.919 0 40 DDAB COC(=O)CSc1nnc(COc2ccccc2C)n1C 420480 TWNHPWSJBHPPAK-UHFFFAOYSA-N 307.375 1.968 0 40 DDAB Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1 795752 PBSRRULBYGAGQB-UHFFFAOYSA-N 318.402 1.527 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc(OC)cc12 1453826 CAGYJVPKKHLDGS-ZOWXZIJZSA-N 322.386 1.502 0 40 DDAB CCOC(=O)CC1(CC(=O)OCC)C(=O)N(C)c2ccccc21 1686738 QOIUSKOSFNHJFC-UHFFFAOYSA-N 319.357 1.807 0 40 DDAB CCOC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 2045608 LMMWOFYDEWQWGB-LBPRGKRZSA-N 311.359 1.238 0 40 DDAB CN(CC(=O)Nc1ccccc1)C(=O)CNC(=O)CC(C)(C)C 53477958 IQLKTGSFKLXYNA-UHFFFAOYSA-N 319.405 1.636 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c(OC)c1 42042500 DHLZLYURENCIAP-GFCCVEGCSA-N 321.377 1.111 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1 3487601 AHGSODYTZRNCHZ-ZDUSSCGKSA-N 303.362 1.900 0 40 DDAB C[C@@]1(NC(=O)c2ccc3ccccc3n2)CCS(=O)(=O)C1 22740850 JJCLRQWLPGOTDG-OAHLLOKOSA-N 304.371 1.542 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 6725600 DHPRZEQLXRWFOD-WVWOOGAGSA-N 321.329 1.521 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 23017347 LZBNPXWVZUBHCA-NEPJUHHUSA-N 310.419 1.751 0 40 DDAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 7779723 NGFJUFZFLGZIBA-QWRGUYRKSA-N 302.330 1.652 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC(F)F)cc1 7901674 IKHFKHRZFUBCOJ-VIFPVBQESA-N 315.320 1.564 0 40 DDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCNCC1 37463894 AUPSNFLPCUKDOG-UHFFFAOYSA-N 319.224 1.351 0 40 DDAB CC[C@@H](C(=O)NCCCN1CCN(C)CC1)c1ccccc1 54534477 FWHJJPGYIZQQJI-QGZVFWFLSA-N 303.450 1.934 0 40 DDAB C[C@@H](c1cccs1)N(C)C(=O)NCCNC(=O)c1ccn[nH]1 97055316 HBFZATUSMBWTJN-JTQLQIEISA-N 321.406 1.604 0 40 DDAB CCO[C@@H](C)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 72295373 MQLOELFDHZZEEV-HOTGVXAUSA-N 319.449 1.738 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)c3ccoc3)CC2)C1=O 108527322 XQBXBIJWEWUSOY-QGZVFWFLSA-N 320.389 1.771 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CN(C)S(C)(=O)=O)o1 47642742 MURSFRSEFYGNEL-ZYHUDNBSSA-N 314.407 1.253 0 40 DDAB Cc1cc(NC(=O)NC[C@@H]2COc3ccccc3O2)n(C)n1 43433382 FVWNXILHTROUGO-LLVKDONJSA-N 302.334 1.690 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccncc3F)C2)n1 72294755 NNLPNUXMINISIM-LBPRGKRZSA-N 303.341 1.906 0 40 DDAB Cc1ccc(F)cc1NCC(=O)N1CCN(C(=O)C2CC2)CC1 55825536 IMRAPMDWVIBJDD-UHFFFAOYSA-N 319.380 1.627 0 40 DDAB CS(=O)(=O)N1CCC(Nc2cnc3ccccc3n2)CC1 26141275 WSMYPHRYOSRGAZ-UHFFFAOYSA-N 306.391 1.466 0 40 DDAB C[C@@H](C(=O)NCc1ccccn1)n1nnc2ccccc2c1=O 44225913 KBVFQYAVZGXWEN-NSHDSACASA-N 309.329 1.064 0 40 DDAB C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72287441 CXCGXGSEYAFRCS-QWHCGFSZSA-N 300.362 1.978 0 40 DDAB O=C(CCn1ncc2ncccc2c1=O)Nc1cccc(F)c1 72294024 LTMMSFRFLOGLIW-UHFFFAOYSA-N 312.304 1.959 0 40 DDAB COc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(F)c1 72269057 AXLCXQDOGITOQR-HOTGVXAUSA-N 322.380 1.506 0 40 DDAB CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 58074931 YJAMTGZRSJLGLQ-MRVPVSSYSA-N 312.347 1.271 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@@H](c1cccs1)N(C)C 58231729 QWYLDCLEKGTJLB-LBPRGKRZSA-N 319.496 1.917 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCN(C3CC3)C1)C2 58280042 DVTCCRDLCHURQJ-ZIAGYGMSSA-N 316.401 1.599 0 40 DDAB CN(Cc1ccn(-c2ccccc2)n1)C[C@@H](O)Cn1cccn1 44976087 KSFPPYZRSPUJFR-QGZVFWFLSA-N 311.389 1.562 0 40 DDAB C[C@@H]1COCCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O 44912385 JEHGASCMVPYRMP-SECBINFHSA-N 304.268 1.114 0 40 DDAB c1cnc(-n2cncn2)c(CNCc2cccc3c2OCO3)c1 44948758 QLXKLJIBULYMKD-UHFFFAOYSA-N 309.329 1.681 0 40 DDAB Cc1cnn(CC(=O)Nc2ccccc2N2CCOCC2)c1 58429982 GAOSGLCOAHVXQT-UHFFFAOYSA-N 300.362 1.667 0 40 DDAB C[C@]1(c2ccccc2)CN(c2nc(N)nc3[nH]cnc23)CCO1 97115381 XKDUGDQWVRRWNW-MRXNPFEDSA-N 310.361 1.687 0 40 DDAB COC(=O)c1ccc(OCC(=O)N2CCNC2=O)c(Cl)c1 60383723 PZVZQLKLGIGPAO-UHFFFAOYSA-N 312.709 1.057 0 40 DDAB Cc1cc(C)n2ncc(C(=O)NC3CCN(C4CC4)CC3)c2n1 36742202 ALXOJUOBJBJDHP-UHFFFAOYSA-N 313.405 1.703 0 40 DDAB C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCCCC2)C1 45744880 LZKLYDWDGLULSD-KBPBESRZSA-N 303.472 1.427 0 40 DDAB CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cc2ccccc2o1 95462105 SPVNKEKJCFPQTK-SNVBAGLBSA-N 323.292 1.977 0 40 DDAB CNC(=O)CN1CCC(NC(=O)c2ccc(Cl)s2)CC1 48332935 RYYGWSYHASUNLZ-UHFFFAOYSA-N 315.826 1.342 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 62913844 ZLTSULZRLJGKQD-IUODEOHRSA-N 309.749 1.967 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 4295256 XJIGKVDNTOPGND-HICWGWBUSA-N 318.398 1.552 0 40 DDAB CN1CCc2ncnc(N(C)Cc3cccc(C(N)=O)c3)c2C1 65478914 IEVQMRLWUDVYOX-UHFFFAOYSA-N 311.389 1.200 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 14233495 CQMBDZRLLVXTHV-UHFFFAOYSA-N 308.334 1.936 0 40 DDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(C)=O)c1 14232781 VOXLGXLUACBQLB-SECBINFHSA-N 306.318 1.738 0 40 DDAB O=C1COc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2N1 6873427 STLBURFTLWSMLA-UHFFFAOYSA-N 322.317 1.957 0 40 DDAB Cn1nnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 6988191 QSFNOTZIBWBURF-GFCCVEGCSA-N 303.391 1.666 0 40 DDAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(N)=O)c2)c1 67339093 RWXCMZMMMANOQW-UHFFFAOYSA-N 304.371 1.919 0 40 DDAB O=C(Cc1nc2ncccn2n1)N1CCC[C@H](C(F)(F)F)C1 71793177 NZBPLBQWUPZHOI-VIFPVBQESA-N 313.283 1.468 0 40 DDAB COCCN1CC[C@@H](CNC(=O)c2ccccc2COC)C1 68493026 OXYJINGJTHBDMO-AWEZNQCLSA-N 306.406 1.531 0 40 DDAB COCCN1CCN(CCOc2ccccc2OC)C[C@@H]1C 70008307 HDRZUURXIHDXNH-HNNXBMFYSA-N 308.422 1.727 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCC(C)C)ccc21 17172484 YRYVFZNUTZYCKZ-UHFFFAOYSA-N 303.362 1.486 0 40 DDAB O=C(Cn1c(-c2ccccn2)noc1=O)N1CCc2ccccc21 69558929 FMLXRUORSNAKJJ-UHFFFAOYSA-N 322.324 1.488 0 40 DDAB C[C@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 71877415 VLVHOROQBPKAHV-JKSUJKDBSA-N 319.449 1.032 0 40 DDAB CCN(C(=O)[C@@H](C)NC[C@H]1CN(C)CCO1)C1CCCCC1 69652676 QIPQFBBPQLGEON-ZBFHGGJFSA-N 311.470 1.476 0 40 DDAB COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc(C)o2)c1 408560950 GAQNCVHZEZMWFU-UHFFFAOYSA-N 318.329 1.974 0 40 DDAB Cc1cccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 69771547 DYJGOYWPSVTHAJ-UHFFFAOYSA-N 313.405 1.472 0 40 DDAB CC[C@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(N)=O 71902595 XTMPKWQTJXBAHR-ZDUSSCGKSA-N 320.389 1.317 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)cn1 69819721 IHCHIGZVODTDCR-AWEZNQCLSA-N 304.394 1.486 0 40 DDAB CC(C)(C)[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C(=O)O 95424663 MUTQTTOIGQRIPP-MFKMUULPSA-N 304.346 1.728 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cl)c(Cl)c1 88373398 ZHVXACQSLYWJKF-JTQLQIEISA-N 304.129 1.919 0 40 DDAB Cc1noc(Cl)c1CCC(=O)O[C@@H]1CCS(=O)(=O)C1 95952859 TYQUGKNAZLBSGO-MRVPVSSYSA-N 307.755 1.299 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nnnn2C2CC2)n1 75131859 HKNUWDKBPNTDLA-HNNXBMFYSA-N 315.425 1.876 0 40 DDAB COc1ccc(CN(C)C(=O)c2cccc(=O)n2C)cc1F 89741091 SIVWSVRNRHKGBJ-UHFFFAOYSA-N 304.321 1.805 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1csc(-c2cnn(C)c2)n1 89938840 WAWPBIRYVVDJDA-SNVBAGLBSA-N 305.407 1.320 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 75606118 QTMVHWMNNYTQPI-JKSUJKDBSA-N 306.381 1.426 0 40 DDAB Cc1cc(O)nc(N2CCC[C@H](Nc3nnc(C)c(C)n3)C2)n1 1548521175 RORWNLBRGYCYBQ-LBPRGKRZSA-N 315.381 1.373 0 40 DDAB CN(C(=O)c1cc(O)nc2ncn(C)c12)C1Cc2ccccc2C1 553035995 WHBUPHVQKWHJNS-UHFFFAOYSA-N 322.368 1.913 0 40 DDAB O=C(NC1(c2ncon2)CCOCC1)c1cnc(C2CC2)s1 546601500 CDDOGTKKNDTQIZ-UHFFFAOYSA-N 320.374 1.839 0 40 DDAB CC(=O)N1CCC(C(=O)N[C@H](C)c2cn3ccsc3n2)CC1 67909353 NOAULCVGONSMJF-SNVBAGLBSA-N 320.418 1.832 0 40 DDAB Cc1cc(Br)cc(S(=O)(=O)N(C)C[C@@H](C)O)c1 187721662 CZTFOVVXEIEBMU-SECBINFHSA-N 322.224 1.759 0 40 DDAB COc1ccc(CCC(=O)O)cc1S(=O)(=O)N1CCCC1 32229260 XURPRLYAGRWADH-UHFFFAOYSA-N 313.375 1.497 0 40 DDAB O=C(NCCOc1cc(N2CCCC2)ncn1)C1CCCC1 38520804 XAVYJWYHBPNZFH-UHFFFAOYSA-N 304.394 1.762 0 40 DDAB COC[C@@H]1CN(c2ccc(F)cc2)CCN(S(C)(=O)=O)C1 72354423 JOENNPOCHOCISE-GFCCVEGCSA-N 316.398 1.170 0 40 DDAB COc1cc(Br)ccc1N1C[C@H](C(N)=O)CC1=O 73635767 VKHWLLMDKRIYFD-SSDOTTSWSA-N 313.151 1.296 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)c1 217429078 ISABKYQVAFBZOM-NRMKKVEVSA-N 301.298 1.846 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1cnc[nH]1 79482577 ONOFWBDSBNHFPI-UHFFFAOYSA-N 317.397 1.096 0 40 DDAB Cn1nccc1CN1CCc2nc(-c3ccncc3)nc(O)c2C1 72339822 LRKYWLVHGJVQST-UHFFFAOYSA-N 322.372 1.536 0 40 DDAB Cc1cncnc1[C@@H]1CCCCN1S(=O)(=O)c1cn(C)cn1 72364479 XVMQGOBRQKJRJO-LBPRGKRZSA-N 321.406 1.434 0 40 DDAB O=C(NCCCn1cccn1)c1nnc2ccc(Cl)cc2n1 46088527 HHABSWHAGZXRSK-UHFFFAOYSA-N 316.752 1.695 0 40 DDAB O=C(N=c1cc(C(F)(F)F)[nH][nH]1)c1cc2n(n1)CCCO2 567057786 NSBMKGNXTJMXRW-UHFFFAOYSA-N 301.228 1.082 0 40 DDAB CCc1nc(CNc2ccc(S(=O)(=O)NC)cn2)cs1 195573373 NOBIZBXJOWQNFP-UHFFFAOYSA-N 312.420 1.621 0 40 DDAB Cc1n[nH]c(C(=O)N2CCN(C)C[C@@H]2C)c1Br 89502510 NIZQRJBBSJFYCK-ZETCQYMHSA-N 301.188 1.257 0 40 DDAB COc1cc(/C=C\C(=O)N2CCNCC2)cc(OC)c1OC 45331544 ZQXXBLADSLNAAT-PLNGDYQASA-N 306.362 1.157 0 40 DDAB CCOC1CC(CNCC2=CCCOC2)(N2CCOCC2)C1 195459539 DUAUOIXUWKMKFR-UHFFFAOYSA-N 310.438 1.193 0 40 DDAB CCN(C[C@@H]1CCN([C@@H]2C[C@H](C)OC2=O)C1)CC(F)(F)F 81559012 COUJQKIRJCIFFH-SDDRHHMPSA-N 308.344 1.897 0 40 DDAB CC(C)CNC(=S)Nc1ccc(N2CCN(C)CC2)nc1 223878775 WBXADQAKPVWPHY-UHFFFAOYSA-N 307.467 1.776 0 40 DDAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOC)ccc21 225686592 FIYGSFFWVNBITP-UHFFFAOYSA-N 316.404 1.008 0 40 DDAB O=C1NCCN1[C@H]1CCCN(Cc2nnsc2Cl)C1 49442164 ZXQMGLQXUOUTLB-QMMMGPOBSA-N 301.803 1.181 0 40 DDAB O=c1ccc2c(n1CC1CC1)CC[C@@H](NC[C@H]1CCOC1)C2 96189748 XECIUKWWXBFOKR-GDBMZVCRSA-N 302.418 1.742 0 40 DDAB Cn1cc(CCNC(=O)NCCOc2ncccc2Cl)cn1 96473400 CJBAAIOYVTVYNJ-UHFFFAOYSA-N 323.784 1.389 0 40 DDAB Cn1nnc2c1CCN(C(=O)c1ccoc1)[C@H]2COCC1CC1 96100105 QIYTWVPZNBTPPL-AWEZNQCLSA-N 316.361 1.574 0 40 DDAB Cn1cc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cn1 96222280 ZEGHDRBDLVCDIE-DLBZAZTESA-N 305.422 1.970 0 40 DDAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(C)CC2 96260516 SAZXYXMBQCQRIL-UHFFFAOYSA-N 304.438 1.882 0 40 DDAB CN1CCN(C(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)CC1 96192594 JKMZIBFXPZYFFU-MRXNPFEDSA-N 305.353 1.483 0 40 DDAB CCn1nc(C)cc1C(=O)N1CC[C@@H]2OCCC[C@]2(COC)C1 96039207 GJMKDFMSLSTZQM-DOTOQJQBSA-N 321.421 1.869 0 40 DDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1C1CCOCC1 96070196 TZZQBMZJAGSXRQ-LBPRGKRZSA-N 318.421 1.465 0 40 DDAB O=C(NCCc1cccnc1)N1CCCN(C(=O)C2CC2)CC1 97102870 WDYWLJUTKGXEQU-UHFFFAOYSA-N 316.405 1.278 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCOc2ncccc21 96451755 QSIYMDWGGJUCHO-UHFFFAOYSA-N 307.313 1.702 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(Cc3cccnc3)[C@H]2C1 96080540 MELNVZCADVRWRF-OCCSQVGLSA-N 300.387 1.495 0 40 DDAB CNC(=O)CN1CCCC12CCN(Cc1cccnc1)CC2 96075247 VVLVHDPHLTVJOV-UHFFFAOYSA-N 302.422 1.258 0 40 DDAB c1cc(CN2CCOC[C@]3(C2)CN(CC2CC2)CCO3)ccn1 96049848 ALZZVLLMZLVYTJ-SFHVURJKSA-N 317.433 1.395 0 40 DDAB C[C@H](CCNC(=O)Nc1cnc(N(C)C)nc1)N1CCCCC1 96502439 URWFTRGXIZCFRN-CYBMUJFWSA-N 320.441 1.929 0 40 DDAB CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)CCOc1ccccc1 96443668 IDWURFMQILHCKD-DZGCQCFKSA-N 304.390 1.829 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC=C(F)C2)cc1C(=N)O 330904241 AFHIOESTHMQLCP-UHFFFAOYSA-N 314.338 1.826 0 40 DDAB CC(C)NC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccccc2)C1 96253410 JNAQLIHVYAVBRH-QLFBSQMISA-N 317.389 1.832 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)O 247444421 YEAUBYBBPXZHRN-MJBXVCDLSA-N 319.357 1.690 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 242687307 UEMYJSQEOMJZMY-OAGGEKHMSA-N 311.447 1.884 0 40 DDAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257234404 GTJQOPGEIOXBEH-AWEZNQCLSA-N 323.360 1.616 0 40 DDAB CCn1cc(CN2CC[C@@H](c3[nH]ncc3C(=O)N(C)C)C2)cn1 257332671 XYFLNYPMZDJJHD-CYBMUJFWSA-N 316.409 1.317 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2N1 257340494 ZGJUIRFGIZUOGS-STQMWFEESA-N 308.765 1.460 0 40 DDAB Cc1nc2ccccn2c1CC(=O)N1CCC(C)(C(N)=O)CC1 257252404 JURIVAZYCUHNCP-UHFFFAOYSA-N 314.389 1.299 0 40 DDAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccon2)cc1 96103242 BLDOYFODGUEORM-LLVKDONJSA-N 321.358 1.185 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCCN(c3cnccn3)C2)C1 585101195 MWHIIHVBBSKEHS-MRXNPFEDSA-N 317.393 1.459 0 40 DDAB CCn1cncc1CN1CCC[C@H](OC)[C@@H]1CCC(=O)N(C)C 585277909 YWFPRVNORSRTJA-HOTGVXAUSA-N 322.453 1.751 0 40 DDAB CN1C[C@@]2(COCCN(c3ncnc4ccsc34)C2)CC1=O 585104447 NHEBWVFDXRXNPF-HNNXBMFYSA-N 318.402 1.376 0 40 DDAB O=C1CC[C@H](C(=O)N[C@H]2CCc3c(Br)cccc32)N1 68192498 CEXRPQMIJPNNMB-NWDGAFQWSA-N 323.190 1.831 0 40 DDAB CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2cccnn2)cn1 930348929 BADDODBWPLPLNO-QWHCGFSZSA-N 316.365 1.815 0 40 DDAB Cc1cn2nc(Sc3nnnn3C3CCOCC3)sc2n1 69566427 WVUKKQMPIUANNW-UHFFFAOYSA-N 323.407 1.588 0 40 DDAB Cc1ncc2c(n1)CCN(C[C@H](O)COCc1ccccc1)C2 44937803 QDSOEDDACORBMS-KRWDZBQOSA-N 313.401 1.721 0 40 DDAB CC(C)Sc1ncccc1C(=O)NCCCn1cncn1 48150685 INXZRBWBZNWOMG-UHFFFAOYSA-N 305.407 1.994 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](CO)CCS2(=O)=O 91302936 VGQHCCLCCOUQLR-NSHDSACASA-N 319.423 1.183 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NCC(=O)c1cccs1 97022584 LCMZOEQOTBPXBB-UHFFFAOYSA-N 307.375 1.476 0 40 DDAB CCN(CC)c1ncc(CNC[C@@H]2CCc3nncn3C2)s1 75605603 GTBGQWWXMLLZIM-LBPRGKRZSA-N 320.466 1.933 0 40 DDAB Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)no1 97159037 XDBWONZOYFGRLW-GFCCVEGCSA-N 306.366 1.008 0 40 DDAB Cn1cc(NC(=O)[C@H]2CCCO2)cc(Br)c1=O 88214131 NFIRDBBGKCDBOR-SECBINFHSA-N 301.140 1.265 0 40 DDAB C[C@@H](C(=O)NC(=O)NC1CCCC1)N(C)CCc1nccs1 95435439 IXCWEYNRLXFPCI-NSHDSACASA-N 324.450 1.774 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CCO1 89949239 VWRWIOBDBIIMGO-CYBMUJFWSA-N 317.345 1.141 0 40 DDAB CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 95415757 RSCGGADUBIPNRE-KGLIPLIRSA-N 308.426 1.764 0 40 DDAB C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@@H](Cc1cnn(C)c1)C(N)=O 95940839 VYFHIJYXFKCSGJ-YUELXQCFSA-N 306.454 1.869 0 40 DDAB COc1ccccc1OCC(=O)NC[C@]1(OC)CCSC1 96097591 XOFJFCMLCRYUDT-OAHLLOKOSA-N 311.403 1.712 0 40 DDAB O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CC1 96121796 NJNVGOHIJKLKRL-UHFFFAOYSA-N 303.284 1.501 0 40 DDAB COC(=O)COc1cccc(F)c1I 83891317 LSQJBBZVEDMLOT-UHFFFAOYSA-N 310.062 1.982 0 40 DDAB COc1cc2c(cc1OC)CN(c1cc(=O)n(C)cn1)CC2 576647134 ASBHETUOONWFTA-UHFFFAOYSA-N 301.346 1.360 0 40 DDAB CCOC(=O)NCC[C@]1(C(N)=O)CCC(=O)c2ccccc21 5119089 VXPAPKWBKMJUBE-MRXNPFEDSA-N 304.346 1.522 0 40 DDAB Cc1sc(-n2cccc2)nc1C(=O)N[C@@H]1C=CS(=O)(=O)C1 11866089 MQKWIVWEWKBYPH-SNVBAGLBSA-N 323.399 1.283 0 40 DDAB Cn1ccnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 12444503 WLCUEXDGHBSMIS-UHFFFAOYSA-N 318.352 1.287 0 40 DDAB CC1=CC(=C2C(=O)NC(=S)N=C2O)C=C(C)N1CCN(C)C 16756362 PXGGGBGSKQWPCW-UHFFFAOYSA-N 320.418 1.339 0 40 DDAB Cc1ccn2c(=O)nc(SCC(=O)NC3CCCC3)nc2c1 4503864 YGCZWTLQGWJIEQ-UHFFFAOYSA-N 318.402 1.549 0 40 DDAB CCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1C 5352679 JMTDOHMVKUQKJC-UHFFFAOYSA-N 321.362 1.336 0 40 DDAB Nc1nnc(SCC(=O)Nc2cccnc2Cl)s1 5636417 MHZDLDYYQDMSPF-UHFFFAOYSA-N 301.784 1.900 0 40 DDAB O=C1NCCCC[C@H]1N1CCC(Oc2ncc(F)cn2)CC1 1888834094 IOUWMYDVMQQTBG-CYBMUJFWSA-N 308.357 1.128 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)N)C2)cc1F 225448464 FEFSUVPLNUDXFC-RYUDHWBXSA-N 300.399 1.882 0 40 DDAB C[C@@H]1CN(C(=O)C2(F)CC2)C[C@]12CCN(c1cccnc1)C2=O 1614948575 YTZKBOMGOYNGBA-MLGOLLRUSA-N 317.364 1.785 0 40 DDAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(F)cc1 4280059 UHVROKGHPXIIHW-CYBMUJFWSA-N 306.293 1.990 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1cccc(C)c1C)OCC 4583746 VMFZUUWFZMAYDD-UHFFFAOYSA-N 308.378 1.757 0 40 DDAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCC)ccc21 11613025 KCUJXDKYPYLGNS-UHFFFAOYSA-N 317.433 1.644 0 40 DDAB COc1ccc2cc(S(=O)(=O)N3CCCC3)c(=O)oc2c1 15862184 IOYSUVVVALZXFX-UHFFFAOYSA-N 309.343 1.586 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713542 CLEDWQJOIACKGS-GFCCVEGCSA-N 304.394 1.208 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)n(C)n1 618255882 ACGZQBORINTOAT-CYBMUJFWSA-N 304.419 1.794 0 40 DDAB O=C(c1ccco1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791263 LLLFQNLQQSRXJG-UHFFFAOYSA-N 312.373 1.911 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)n2)c(=O)[nH]1 10458725 VTNARZCTDVXBBW-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB Cc1cccc(C(=O)OCc2nnnn2-c2ccccc2)c1N 40039499 XQMLFTBFSSNMQX-UHFFFAOYSA-N 309.329 1.910 0 40 DDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccccc2)C(=O)N1 79641 QUOVFDCGGVVBMP-NWDGAFQWSA-N 322.386 1.179 0 40 DDAB O=C(Cn1ccccc1=O)NC[C@H](c1ccco1)N1CCCC1 40460888 HENKVVIENSLMLD-CQSZACIVSA-N 315.373 1.395 0 40 DDAB Cc1cccc(OCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 40498768 ABGYBWVNGMQEPC-CYBMUJFWSA-N 311.403 1.376 0 40 DDAB Nc1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c(O)c1 100702750 PHWDNIUYVWULSB-QWRGUYRKSA-N 321.764 1.862 0 40 DDAB c1ccc([C@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)cc1 40512421 IAPHXYRFXIIUDM-AWEZNQCLSA-N 324.388 1.838 0 40 DDAB CCCCNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO 21172750 GTXPNBOFLQQEKJ-UHFFFAOYSA-N 308.769 1.943 0 40 DDAB COc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 61422 QRIPIPGTBRSYTJ-UHFFFAOYSA-N 306.343 1.595 0 40 DDAB C[C@@H]1CCCN([C@H](C)CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)C1 60556230 DOKKSIVOMJNRLH-KBUPBQIOSA-N 309.454 1.385 0 40 DDAB CCC[C@H](NC(C)=O)C(=O)N1CCC(Nc2cccnn2)CC1 71863411 KRHVYCAGRLTMAV-AWEZNQCLSA-N 319.409 1.184 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2)nc1 46743021 IZJBMRWBIWBRAB-ZDUSSCGKSA-N 305.382 1.313 0 40 DDAB CC(C)c1noc(CCCC(=O)N2CCC[C@@H](C(N)=O)C2)n1 46739175 DSPIZGMTEWAMRT-LLVKDONJSA-N 308.382 1.240 0 40 DDAB COc1cccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c1 41670358 MXOZIVUHNNEWQR-UHFFFAOYSA-N 302.286 1.194 0 40 DDAB O=C(NCc1ccccc1OCCO)c1nc2ccccc2[nH]1 76020964 HRXDAHMBQYSWCH-UHFFFAOYSA-N 311.341 1.864 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n[nH]1 78901458 JLKJVASIJLCPAR-NWDGAFQWSA-N 302.378 1.571 0 40 DDAB Cc1nn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Br 2777602 SZZFKZDVKJCUAM-RKDXNWHRSA-N 316.199 1.590 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1ccc(SC)cc1OC 3513467 DENKTWAAWLUCSP-UHFFFAOYSA-N 312.347 1.030 0 40 DDAB Cn1cnnc1SCC(=O)N1CCN(c2ccccc2)CC1 4139753 LRAFSFBBGCXQII-UHFFFAOYSA-N 317.418 1.256 0 40 DDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 4142624 JPCCKXXLIFFNNI-BVIHXZOGSA-N 315.325 1.554 0 40 DDAB O=C(c1ccccc1O)N1CCN(C(=O)N2CCCCC2)CC1 22476427 ASAOODILXOFQDX-UHFFFAOYSA-N 317.389 1.756 0 40 DDAB COCc1ccc(CNC(=O)NCCCN2CCOCC2)cc1 60906476 JHKIRUWJGDXHFE-UHFFFAOYSA-N 321.421 1.355 0 40 DDAB CC(=O)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(C)=O 4983220 RZVPBCPANJWQKW-KXLSUUCQSA-N 322.313 1.452 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1cncc(Br)c1 42255268 YFOYFFCMSILTMK-SECBINFHSA-N 309.167 1.859 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1cn2cc(C)ccc2n1)C(=O)OC 12296410 AESPOARBDPHXJE-FZMZJTMJSA-N 303.362 1.960 0 40 DDAB biogenic Cc1cc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)n(C)n1 46956356 XKZZCJBAHZPCPB-JTQLQIEISA-N 319.331 1.734 0 40 DDAB CCN1CCN([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)CC1 101274109 JSGBENPTESGTHL-INIZCTEOSA-N 315.417 1.573 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)c2ccc(O)nn2)ccn1 47012740 UYNOVHMQGFGPJV-UHFFFAOYSA-N 310.317 1.001 0 40 DDAB CCCc1noc(CCC(=O)NCCNC(=O)c2ccco2)n1 23056605 LBIHZSDMUJUXHH-UHFFFAOYSA-N 320.349 1.094 0 40 DDAB COc1ccccc1CNC(=O)c1cc(=O)c(OC)cn1C 23135509 AKJHITQTXCLGFL-UHFFFAOYSA-N 302.330 1.333 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(C[C@@H]2CCCO2)CC1 23673175 QKPBKYMYRDWSCB-ZDUSSCGKSA-N 314.389 1.500 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1ccncc1 42869242 BOWHARVAELGDDF-OLZOCXBDSA-N 309.391 1.115 0 40 DDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1F 9993266 KJZTWWPLMNZYHG-SECBINFHSA-N 300.717 1.713 0 40 DDAB COc1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cn1 25294752 NQRQQSAMWOYOQU-UHFFFAOYSA-N 319.405 1.811 0 40 DDAB O=C1NC2=C(C(=O)N(Cc3cccnc3)C2)[C@@H](c2ccccc2)N1 57531470 BHVZPIJVSJYPIT-MRXNPFEDSA-N 320.352 1.732 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C)OCO2 62001820 WHRMSMCHROEEOW-STQMWFEESA-N 319.313 1.913 0 40 DDAB biogenic C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Br)o1 44427595 KTDPBKJZVPKZJP-HTQZYQBOSA-N 315.167 1.768 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)s1 107251658 XIQGPTANKSBQCQ-UONOGXRCSA-N 321.446 1.320 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(OC[C@@H]2CCCO2)cc1 58226775 KRHDMDURNUGUSD-GJZGRUSLSA-N 318.373 1.253 0 40 DDAB CC(C)NC(=O)C(=O)NCCOc1ccc2ccccc2c1 59417444 LOSJBWVQZPLHGP-UHFFFAOYSA-N 300.358 1.859 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44913620 UCDYECZBAMITHU-CQSZACIVSA-N 312.373 1.432 0 40 DDAB O=C(COc1ccc(Cl)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 58326185 IQYPQWLEKPDZFL-HIFRSBDPSA-N 324.808 1.698 0 40 DDAB C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(Cl)cc1 22606706 QTWMKZIFLOLHPB-SECBINFHSA-N 304.799 1.409 0 40 DDAB C[C@H](C(=O)N1CCN(Cc2cccs2)CC1)n1cncn1 45200420 LHBOOLIJIJATJV-GFCCVEGCSA-N 305.407 1.245 0 40 DDAB CCC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 36395354 OADJQNXBBTVRNS-NSHDSACASA-N 303.362 1.667 0 40 DDAB NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101910663 KWBXEOTZQGMCDJ-VXGBXAGGSA-N 308.359 1.014 0 40 DDAB O=C1CN(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C(=O)N1 29019930 PSHKDQMMLILCQT-UHFFFAOYSA-N 320.692 1.192 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H](c1ccsc1)N(C)C 48313780 LXMRKXXXZJFOCU-TZMCWYRMSA-N 321.450 1.935 0 40 DDAB CCc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)s1 48665184 QBKUVTJLYGKFRR-VIFPVBQESA-N 302.421 1.197 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1[nH]nc(C)c1Br 49120759 QFZBXZVWPQUUJR-SECBINFHSA-N 316.199 1.979 0 40 DDAB O=C(COc1ccccc1)NCCCNC(=O)c1ccccn1 13494581 GZQLJPLQIAXZMP-UHFFFAOYSA-N 313.357 1.397 0 40 DDAB NC(=O)[C@H](c1ccc(O)nn1)c1ccccc1Br 4002973 UFQARCXERCUYBU-NSHDSACASA-N 308.135 1.562 0 40 DDAB COc1ccnc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1 64248325 OHPJLVQBPIPZJA-SNVBAGLBSA-N 304.354 1.060 0 40 DDAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O 4218175 HSFOCLWWAFICIJ-MRXNPFEDSA-N 302.330 1.850 0 40 DDAB CC1=C2[C@@H](CCS2(=O)=O)CC2(C1)C(=O)OC(C)(C)OC2=O 4337536 WZJZSFMMIYUIQQ-VIFPVBQESA-N 314.359 1.311 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)NC[C@H]1CCOC1 65449160 GUMRFOPPRDUYNL-LLVKDONJSA-N 308.334 1.130 0 40 DDAB O=C(CCNC(=O)NC[C@@H]1CCCO1)NCc1ccccc1 65585509 DEGGTUJOQYQOLG-AWEZNQCLSA-N 305.378 1.171 0 40 DDAB O=C1C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)c2ccccc2N1 65516204 ADQCEBBBXAIJPB-YPMHNXCESA-N 310.357 1.440 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CCN2CCSC2=O)C1 65609259 XFSDUWKFOFMCEN-LLVKDONJSA-N 323.422 1.080 0 40 DDAB COc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cn1 14268977 MZXGBZVMMBGARN-CYBMUJFWSA-N 314.345 1.828 0 40 DDAB COC(=O)N1CCC(NC(=O)N2CC[C@H](N3CCCC3)C2)CC1 66188741 VLCLECQBPSOQRG-AWEZNQCLSA-N 324.425 1.097 0 40 DDAB Cc1nn(CC(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1Cl 6921633 UTNPQLMKWALRAF-VIFPVBQESA-N 310.663 1.314 0 40 DDAB COc1ncccc1C(=O)NC[C@H](O)COc1ccc(F)cc1 67146995 NNLKEJLYVZELNL-LBPRGKRZSA-N 320.320 1.399 0 40 DDAB CSC[C@@H](C)NC(=O)NCc1ccc([S@](C)=O)cc1 80144909 XPYUVTYDVLDBIV-GIGQVBGESA-N 300.449 1.975 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(N)=O)cc1)CS2 7769994 YBXRVCLWNMMIEU-XHDPSFHLSA-N 319.386 1.178 0 40 DDAB CCOC(=O)/C=C(/C)NNc1nc2ccccc2c(=O)n1C 9482500 GKKXASWEOBWJOL-KTKRTIGZSA-N 302.334 1.317 0 40 DDAB CCn1cnnc1C1CCN(C(=O)COC2CCCC2)CC1 69326001 XVYQRGCNZYLXRW-UHFFFAOYSA-N 306.410 1.963 0 40 DDAB CN(CCN1CCOCC1)C(=O)c1cc2ccccc2n1C 69490699 VLWQMQGXHUCMTD-UHFFFAOYSA-N 301.390 1.583 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1CCSc1ncccn1 17166914 HCGANMTZRDHWBI-UHFFFAOYSA-N 300.343 1.272 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)[C@H]1CCOC1 96484431 FHACZKDXOQPCID-RYUDHWBXSA-N 308.426 1.769 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 69738695 MHXOFXFVQMDPCG-IYNGYCSASA-N 316.357 1.413 0 40 DDAB CC1(C)COCCN1C(=O)Cc1cc2ccccc2[nH]c1=O 71836519 PIKQEFNBLPVJCR-UHFFFAOYSA-N 300.358 1.708 0 40 DDAB Cc1cccc(C[C@H](CNC(=O)Cn2cccn2)C(=O)O)c1 97018772 LRHUDJTXFARHQO-CQSZACIVSA-N 301.346 1.251 0 40 DDAB Cc1ncccc1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 72290108 WGHXRYPHUSYBME-UHFFFAOYSA-N 321.340 1.927 0 40 DDAB O=[S@@](CCN1CCCC[C@@H]1Cn1cncn1)c1ccccc1 72253342 LTHBSYKGMPGDKO-IVZQSRNASA-N 318.446 1.940 0 40 DDAB Cc1n[nH]cc1CNCc1ccccc1CN1CCOCC1 97159402 NMEFZPNAMGHZJW-UHFFFAOYSA-N 300.406 1.840 0 40 DDAB Cc1nc(CN(C)c2ncnc3c2cnn3CCO)cs1 97199797 YCOMEMSXNGZLOA-UHFFFAOYSA-N 304.379 1.220 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)Cc1c[nH]c3ccccc13)CC2 97198410 LQPWSFRHYKHIHQ-ZDUSSCGKSA-N 323.400 1.996 0 40 DDAB Cc1noc(C)c1CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 95964215 KOLIKCUZPYNGSB-LLVKDONJSA-N 308.382 1.490 0 40 DDAB Cc1noc(C)c1CNC(=O)CCS(=O)(=O)CC(C)C 95955264 YHWZWJREPBIMGB-UHFFFAOYSA-N 302.396 1.369 0 40 DDAB CCc1ccccc1OCC(=O)N1CCOC[C@@H]1c1ncon1 95981351 RSLGSVMGYCWWKZ-CYBMUJFWSA-N 317.345 1.611 0 40 DDAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 88777536 WNKGVDTYVLDREK-NSHDSACASA-N 309.395 1.194 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(N)=O 75137271 SIKNJHTUXSBHCN-GZMMTYOYSA-N 321.406 1.173 0 40 DDAB Cc1cc2nc(N3CCNC(=O)C[C@@H]3C)c3ccccc3n2n1 75134609 SXFOVLOMKCGIPA-LBPRGKRZSA-N 309.373 1.906 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CC2CCCC2)C1 89718306 YUUAYZISOHOXFS-HNNXBMFYSA-N 306.410 1.991 0 40 DDAB COCCN1CCC[C@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1 75611867 YGIDRXAKFBBQRT-FZMZJTMJSA-N 324.425 1.762 0 40 DDAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)O)=N1 408993180 VOXXPRIYLITSMX-GFCCVEGCSA-N 305.359 1.264 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C[C@@H](C)O1 24479837 DVYWFXGXWFAWQB-CHWSQXEVSA-N 313.357 1.482 0 40 DDAB Cc1ccc(N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 409382218 QBGRGMKERWMFPZ-ZDUSSCGKSA-N 312.435 1.922 0 40 DDAB COc1cc(N2CCN(c3ncc(Cl)cn3)CC2)ncn1 359259728 KNKGSROLGNWASB-UHFFFAOYSA-N 306.757 1.255 0 40 DDAB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc2c(c1)OCO2 38783953 PJZJEMCLXCKWQK-UHFFFAOYSA-N 321.296 1.466 0 40 DDAB CO[C@H](/C=C/c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)O 31156269 FHXSKAHQWKCJSP-PGLGOXFNSA-N 306.270 1.625 0 40 DDAB biogenic,in-vitro CN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392851 KBSCBQHYXPBTFO-AWEZNQCLSA-N 305.378 1.062 0 40 DDAB Cc1nc(N)cc([C@H]2CN(C(=O)c3cscn3)CCO2)n1 72387824 DWVBLCSPGVEKBY-LLVKDONJSA-N 305.363 1.037 0 40 DDAB Cc1cccc(C[C@H]2COCCN(Cc3nccn3C)C2)n1 72388169 XLMODZYUTWQDSQ-OAHLLOKOSA-N 300.406 1.815 0 40 DDAB O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccccc1 64871383 VRLIYNYMVZQKET-UHFFFAOYSA-N 319.324 1.683 0 40 DDAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1 74889712 MVJKRFKFBXIPDE-SSDOTTSWSA-N 313.151 1.535 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)N[C@@H]3C[C@H]3C3CCC3)n2)cc1 567229407 KMGKDSRKBYRTOK-LSDHHAIUSA-N 311.389 1.953 0 40 DDAB COCCNC(=O)CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C 75837309 FWNLSLSJBGUXRL-WBVHZDCISA-N 320.433 1.828 0 40 DDAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2C=CCCC2)C1 190130601 HYTJQCQEFIQLPE-FRRDWIJNSA-N 306.366 1.958 0 40 DDAB COCn1cnc2ccc(I)cc2c1=O 88500458 DYILBPRVZLVQIC-UHFFFAOYSA-N 316.098 1.605 0 40 DDAB CC(C)C[C@@H](C)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 225570485 WTKJHVSECFMPQZ-GHMZBOCLSA-N 304.412 1.024 0 40 DDAB C[C@@]1(C(=O)N2CCC(O)CC2)CC(c2ccc(F)cc2)=NO1 226749292 XKWZUJSXYBCFQI-INIZCTEOSA-N 306.337 1.692 0 40 DDAB COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1C 222648641 LUKGDSRGBBFFJG-LLVKDONJSA-N 313.375 1.239 0 40 DDAB NC(=O)C1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 96430448 YCJAYLOTZBKKDA-GFCCVEGCSA-N 310.444 1.802 0 40 DDAB CN1C[C@H](C(=O)NCCc2nc3c(s2)CCCC3)CC1=O 96403304 IABYIMYGRLFUJY-SNVBAGLBSA-N 307.419 1.159 0 40 DDAB Cc1nc(COC(=O)c2nc3nccc(C)n3n2)sc1C 96442736 MIMIGHOAHNKRLR-UHFFFAOYSA-N 303.347 1.863 0 40 DDAB Cc1cnc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)cn1 96255099 IOVRTQJNCDXGHI-UHFFFAOYSA-N 309.373 1.693 0 40 DDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccoc1 96041486 QBLAVODYMJLBRA-RRFJBIMHSA-N 308.378 1.230 0 40 DDAB COC(=O)CC1(NC(=O)c2ccccc2C)CCN(C)CC1 96451403 SVYNJVQDZSVLRD-UHFFFAOYSA-N 304.390 1.752 0 40 DDAB Cc1ccoc1C(=O)N1CCC2(CC1)OCC(=O)N(C)[C@@H]2C 96070247 AQPJXBVBURMZHM-GFCCVEGCSA-N 306.362 1.440 0 40 DDAB O=C(CCc1ccccn1)NC1(C(=O)NCC2CC2)CCCC1 95408039 IJNWQUDGXNUIEG-UHFFFAOYSA-N 315.417 1.969 0 40 DDAB O=C1CN(C(=O)[C@H]2CCOC2)CCN1Cc1ccc(Cl)cc1 96414156 OJHUSNSOOSULTO-ZDUSSCGKSA-N 322.792 1.547 0 40 DDAB COc1ncnc2c1CCN(C(=O)NCc1cccnc1)CC2 96255581 MDTOUPAKTVBVBH-UHFFFAOYSA-N 313.361 1.191 0 40 DDAB CC(C)c1cc(CNC(=O)NC[C@@](C)(O)c2cnn(C)c2)on1 96421575 RLGWGQNXORNUMK-OAHLLOKOSA-N 321.381 1.238 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96219216 VTMKSFACCPWNIM-WBMJQRKESA-N 320.368 1.738 0 40 DDAB C[C@H](CNC(=O)NCC[S@@](C)=O)Oc1ccccc1F 96440354 XJZLAZCYYIVFIM-SBKAZYGRSA-N 302.371 1.271 0 40 DDAB O=c1onc(-c2ccccn2)n1Cc1cnn(-c2ccccc2)n1 96402733 XJCVRGZVGFLYKR-UHFFFAOYSA-N 320.312 1.527 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CCCc2[nH]ncc21 96466464 JJGFERNRNCXFHO-ZUZCIYMTSA-N 303.337 1.819 0 40 DDAB C[C@H]1Oc2cc(S(=O)(=O)NCc3ccco3)ccc2NC1=O 252488020 IHKAPILXDZNHPL-SECBINFHSA-N 322.342 1.478 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccco1 24590400 LGYVBWCNDUUNMH-UHFFFAOYSA-N 308.359 1.208 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@H]2CNCC[C@H]21 257250539 JMXTVPUIXBYITQ-GOEBONIOSA-N 304.438 1.950 0 40 DDAB Cn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)cn1 257173198 GJUAFUDHXHAQLP-UHFFFAOYSA-N 316.430 1.861 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2[nH]ncc2C)n1 257322330 WFNBLZLIMKENCA-CYBMUJFWSA-N 315.377 1.337 0 40 DDAB CC(=O)N1CCC(N2CCN(C)[C@@H](c3ccccc3)C2)CC1 257290238 QCDAFJKYYLJMSG-GOSISDBHSA-N 301.434 1.986 0 40 DDAB OC1(CN2CCC(c3ccnc4ccnn34)CC2)CCOCC1 257277160 NWRZRZZPKMXGNN-UHFFFAOYSA-N 316.405 1.450 0 40 DDAB Cc1nn(C)c(C)c1OCc1nnnn1CC1CCOCC1 277551062 QMZGPEZPQOKXEN-UHFFFAOYSA-N 306.370 1.029 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N([C@H]2C[C@H](C)OC2=O)C1=O 9336019 ACQQINPHKWWUOR-KNHMANMVSA-N 302.330 1.548 0 40 DDAB CO[C@H]1CCCN(Cc2cc[nH]n2)[C@H]1CCC(=O)N1CCCC1 585268960 FSHPKKUJNMLJAW-HOTGVXAUSA-N 320.437 1.792 0 40 DDAB COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 62462567 ZJDSCVUZPNKYPO-QMMMGPOBSA-N 318.782 1.657 0 40 DDAB N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 50241963 WUPXZDWGFPSPAE-MRVPVSSYSA-N 323.187 1.310 0 40 DDAB O=C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CCN1 54258537 LCBGBCBDUICWTM-MRXNPFEDSA-N 301.390 1.172 0 40 DDAB O=S(=O)(CCCF)NCC1(N2CCOCC2)CCCCC1 72307519 GRIBKDFFJQDUQG-UHFFFAOYSA-N 322.446 1.301 0 40 DDAB CC(C)C(=O)N1CCC[C@H](C(=O)NC2(C(=O)O)CCCCC2)C1 89775658 JVJWPLRZVJDCAT-ZDUSSCGKSA-N 324.421 1.785 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)Oc2cccnc2)no1 76043840 WSSWAHPAFWYSFK-GWCFXTLKSA-N 302.334 1.904 0 40 DDAB Cc1cc(NCCNC(=O)[C@@H]2CCC[C@H](C)C2)n2ncnc2n1 81459572 ZNOIYYMQMPGHOD-WCQYABFASA-N 316.409 1.787 0 40 DDAB CCCCc1noc(CN2CCN(C[C@@H]3CCCO3)CC2)n1 40489755 KEKLDAURYSCRIX-AWEZNQCLSA-N 308.426 1.709 0 40 DDAB O=C(c1ccsc1Br)N1CC[C@@H](CO)[C@@H](O)C1 556307195 PABFVNQMALWEMJ-CBAPKCEASA-N 320.208 1.326 0 40 DDAB O=C(Nc1ccc(F)cc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549162423 PZCFZXABTNRJMH-UHFFFAOYSA-N 319.336 1.986 0 40 DDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OC 5018801 IJFAXYSUHHGLHV-UXBLZVDNSA-N 320.301 1.071 0 40 DDAB CCCNC(=O)Cn1nc(CC)n2c(cc3sccc32)c1=O 5108858 FUUWOSKAMFXENM-UHFFFAOYSA-N 318.402 1.799 0 40 DDAB CC(=O)NCCC(=O)OCc1nc(-c2ccccc2C)no1 11775629 SSGLULCQDDHNKW-UHFFFAOYSA-N 303.318 1.614 0 40 DDAB Cc1cc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)on1 19119957 HKHWENGJYBHXNK-UHFFFAOYSA-N 300.240 1.854 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@H](c3cc4ncc(C)nc4[nH]3)C2)cn1 19717401 WRYRSRGNAFDGQX-GFCCVEGCSA-N 322.372 1.994 0 40 DDAB CC(=O)NCC[C@@H]1CCCCN1C(=O)Cn1nc(C)cc1C 19748975 VTAJRZQJXNTUFW-HNNXBMFYSA-N 306.410 1.407 0 40 DDAB Cc1cccc(OC[C@H]2CCCN([C@@H]3CCN(C)C3=O)C2)n1 1848570852 POMJRBJGRQWOKJ-LSDHHAIUSA-N 303.406 1.712 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 2037835065 VPVDCTYBHGHSQR-HNNXBMFYSA-N 320.437 1.412 0 40 DDAB CN1C[C@H]2CN(Cc3c(F)cccc3F)CC[C@@H]2OCC1=O 2037983807 GVISMSHDQKPGIC-NHYWBVRUSA-N 310.344 1.644 0 40 DDAB CC1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)c2cnco2)CC1 2056225247 LXIUCRJEMACWIZ-WBMJQRKESA-N 303.362 1.538 0 40 DDAB Cn1nc(-c2nc([C@H]3CCCNC3)cc(=O)[nH]2)c2ccccc21 32603499 JDNXGVYHHDMEDO-NSHDSACASA-N 309.373 1.791 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 1142640074 LCKNFIIQKSWENF-DMRKSPOLSA-N 313.401 1.149 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3ccnc(SC)n3)C2)nc1 2087130858 QLSXCXUQQIQQEB-SNVBAGLBSA-N 319.390 1.655 0 40 DDAB CCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC 7458216 PWZYGHLDDWTOFK-UHFFFAOYSA-N 301.346 1.689 0 40 DDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C(C)C)C1 2055750738 VBECOOUDKNAUEW-INIZCTEOSA-N 307.369 1.611 0 40 DDAB CS(=O)(=O)N1CCC2(CN(Cc3ccc(F)c(F)c3)C2)C1 2055806668 QAKWGKHMOILNPD-UHFFFAOYSA-N 316.373 1.432 0 40 DDAB CCC(N[C@@H](C)CCCN(CC)CC)=C1C(=O)NC(=O)NC1=O 22028347 QUAYTRHDCVQGEW-NSHDSACASA-N 324.425 1.117 0 40 DDAB CCOC(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 29874100 XAZYFKCVQYPVGV-UHFFFAOYSA-N 317.345 1.483 0 40 DDAB O=c1cc2c(nn1CC1CN(c3ncc(Cl)cn3)C1)CCC2 585603787 JXEQDDUDTCZILE-UHFFFAOYSA-N 317.780 1.312 0 40 DDAB Cc1cc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)c(C)o1 225801460 HWPHLYCBPWMXRS-UHFFFAOYSA-N 314.301 1.565 0 40 DDAB COc1cc(F)c(S(=O)(=O)NCC2CCC2)cc1OC 30360182 SBROINJEHAMXJF-UHFFFAOYSA-N 303.355 1.921 0 40 DDAB CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc3c(c2)OCO3)S1 180109 VILFLEUBVLDRPD-GFCCVEGCSA-N 307.331 1.416 0 40 DDAB O=C(Nc1cccnc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 40553158 OUTACFITGYXUHN-NSHDSACASA-N 309.391 1.055 0 40 DDAB O=C(NCCc1ccccc1)c1ccc(F)cc1-n1cnnn1 20719752 OOFHGLJVKBIIKZ-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c1 32956085 RVTWCYJRCHRHLH-NSHDSACASA-N 321.377 1.111 0 40 DDAB O=C(CCc1nc(-c2cccs2)no1)NC[C@@H]1CCOC1 41371840 KTKWAYJJVLPSNP-JTQLQIEISA-N 307.375 1.883 0 40 DDAB CN1C[C@H](NC(=O)N[C@H]2CCN(CC3CCCC3)C2)CCC1=O 76087188 KJAOFXVTCIQGPE-CABCVRRESA-N 322.453 1.171 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccnc(Cl)c2)C1 76376740 ZDACVLWRPMFSRI-QWRGUYRKSA-N 316.810 1.821 0 40 DDAB CC[C@]1(CN(C)C)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O 1573026 NOLCGVVTJMCEHI-INIZCTEOSA-N 309.410 1.698 0 40 DDAB NC(=O)NCCCC[C@H]1NC(=S)N(c2ccccc2)C1=O 2562306 ZGCSHCJYUKDPFL-LLVKDONJSA-N 306.391 1.115 0 40 DDAB CC(=O)[C@@H]1[C@H]2[C@H]3CO[C@H](O3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 3999087 JMYRQFURESEJJS-LKPWOTGASA-N 311.337 1.416 0 40 DDAB COCCCn1c(C)nnc1SCC(=O)N1CCCCC1 4130638 QPVISMAGHAVHDZ-UHFFFAOYSA-N 312.439 1.728 0 40 DDAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1 4249783 NZWCKIBOAZMUHY-UHFFFAOYSA-N 315.358 1.457 0 40 DDAB COc1cc(OC)c([C@H]2CC(=O)Nc3ncnn32)cc1OC 6169931 ISUMYSZAHPBWRS-SECBINFHSA-N 304.306 1.236 0 40 DDAB COC(=O)c1cc(-c2ccc(Cl)cc2)n2c(N)nnc2n1 8655750 NOVBKXUHVDHXQM-UHFFFAOYSA-N 303.709 1.814 0 40 DDAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)no1 25139122 GZBZVTATLVLGLU-CYBMUJFWSA-N 313.357 1.995 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@H]2CCCC[C@@H]2C1 106820755 UZXLAOAXIPEMSY-IIAWOOMASA-N 321.465 1.611 0 40 DDAB Cn1cc([C@H]2CCCN2C[C@@H](O)COc2ccccc2)cn1 106837385 BLBGYMHPSFCDNV-NVXWUHKLSA-N 301.390 1.997 0 40 DDAB CC[C@@H]1CN(c2nn3cc(C)nc3s2)CCN1C[C@H](C)O 106906096 VDVFLFXFHYICHN-NWDGAFQWSA-N 309.439 1.381 0 40 DDAB CN1CC[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1=O 44709577 SBXKYNKJNYCRBN-ZFWWWQNUSA-N 320.364 1.594 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](O)C2)c2cnn(C(C)C)c2n1 44892142 QGLABYWMCJOIHH-LBPRGKRZSA-N 302.378 1.918 0 40 DDAB O=S(=O)(NCc1cccnc1-n1cncn1)c1cccs1 44936223 QUJQBWITJAIDHB-UHFFFAOYSA-N 321.387 1.202 0 40 DDAB Cc1ncc2c(n1)CCN(c1ncc(C(N)=O)cc1Cl)C2 44978772 QLUGUDFZYCWCBM-UHFFFAOYSA-N 303.753 1.495 0 40 DDAB C[C@@H]1COCCN1C(=O)c1cn(-c2ccc(Cl)cc2)nn1 44913772 NSIZMQCPGHTXQN-SNVBAGLBSA-N 306.753 1.782 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CSc2ncn[nH]2)cn1 58348635 KVTXXHCLUUECON-UHFFFAOYSA-N 307.379 1.395 0 40 DDAB OCCn1nccc1C1CCN(Cc2nc(C3CC3)no2)CC1 58328777 HKZOFERFKCBFDD-UHFFFAOYSA-N 317.393 1.515 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(N(C)C)nc1 58393340 RWXWLWHBUOVXFA-UHFFFAOYSA-N 302.426 1.545 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)[C@H](C)CO1 45449997 LNSJXPHOJHDLOY-MGPQQGTHSA-N 304.394 1.329 0 40 DDAB O=C(NC[C@H](O)CO)OCC1c2ccccc2-c2ccccc21 2565335 NNCJPXRPGPIUPM-LBPRGKRZSA-N 313.353 1.878 0 40 DDAB COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)O 3325311 KMBCKRLSVPWYRV-VIFPVBQESA-N 319.404 1.180 0 40 DDAB NC(=O)N[C@@H](CC(=O)NC[C@H]1CCOC1)c1ccccc1F 48374692 VJQFJTQRLSQRQL-MFKMUULPSA-N 309.341 1.078 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1cccc(F)c1 12986110 GKVWECRBXPHIMF-JTQLQIEISA-N 304.373 1.852 0 40 DDAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)Cn1cnnn1 71078899 UDVAMBJSKBYSJM-UHFFFAOYSA-N 311.349 1.756 0 40 DDAB Cn1nnc(-c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)c2)n1 71285827 DXYAPFKQMVPLBE-QWRGUYRKSA-N 315.333 1.172 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl 71287560 CFFJYCVUTYAVPH-UWVGGRQHSA-N 310.737 1.734 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1 9183881 NQYZKJKBYZYOQW-MRXNPFEDSA-N 323.352 1.956 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(OC)c1 65552769 GSTYMNJSCPQLKH-AAEUAGOBSA-N 320.389 1.359 0 40 DDAB C[C@H](OCC1CC1)C(=O)Nc1cc(Br)c[nH]c1=O 65535936 UHAYJCIZAOZESY-ZETCQYMHSA-N 315.167 1.891 0 40 DDAB Cc1ccc(NC(=O)CN2CCC[C@H]2C(=O)N(C)C)cc1C 14122732 OYTOGUHDOZAUJZ-HNNXBMFYSA-N 303.406 1.795 0 40 DDAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCCOC)cc1 9668456 DEIOFNQJDNBFFZ-UHFFFAOYSA-N 314.407 1.740 0 40 DDAB COc1cccc(OC)c1OC[C@@H](C)CN1CCN(C)CC1 19708464 XWAXLBKGEMYLDV-AWEZNQCLSA-N 308.422 1.966 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1ncccn1 6913763 FYMHPWDLMXPCST-MNOVXSKESA-N 308.407 1.973 0 40 DDAB CCCNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 5992946 DGQBBQLNADQBOX-UHFFFAOYSA-N 313.283 1.885 0 40 DDAB CNC(=O)NC(=O)CSc1nncn1-c1ccccc1C 7976102 RCUNFTFJPZNQSS-UHFFFAOYSA-N 305.363 1.123 0 40 DDAB CC(=O)N1CCN(c2ccccc2CN[C@@H](C)CCO)CC1 96470497 LOAPKMQACALTCA-AWEZNQCLSA-N 305.422 1.216 0 40 DDAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(C[C@@H](C)O)CC2)c1 70038130 MADDUWFNUMPGDR-PVAVHDDUSA-N 302.418 1.624 0 40 DDAB C[C@H](NCc1cnc(N2CCOCC2)nc1)[C@@H](C)n1cccn1 69372557 SHVAQJFCUQBIEB-UONOGXRCSA-N 316.409 1.249 0 40 DDAB Cn1ccc(CN2CCCN(c3nccs3)CC2)cc1=O 71830492 GHEGUCGAVNJHPQ-UHFFFAOYSA-N 304.419 1.554 0 40 DDAB COc1cc(C2(C(=O)NCCCn3cncn3)CC2)ccc1C 69493631 KQEDOWYQZBMYCS-UHFFFAOYSA-N 314.389 1.833 0 40 DDAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCNc1ncccn1 69416742 KUFGAUHLQMAYIC-NSHDSACASA-N 324.381 1.735 0 40 DDAB Cc1ccc2oc(C(=O)NCCN3C[C@H](C)O[C@H](C)C3)cc2n1 69416006 NTYJAJHEWWTONE-BETUJISGSA-N 317.389 1.975 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1coc(-c2ccccc2)n1 69440595 GTFGHVOBMBDUTJ-UHFFFAOYSA-N 321.296 1.997 0 40 DDAB Cc1cnn(CCC(=O)N2CCC(Nc3cccnn3)CC2)c1 71863414 INXVAKSKSLTQJY-UHFFFAOYSA-N 314.393 1.475 0 40 DDAB CCSc1ccc([C@@H](C)NC(=O)CNS(C)(=O)=O)cc1 69534502 DBWVAHOTVMNVKJ-SNVBAGLBSA-N 316.448 1.525 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ncnc2c1CCC2 69589519 YBYFGDUHRKBBGT-HOTGVXAUSA-N 300.406 1.945 0 40 DDAB Cc1ccc2ncc(C(=O)N3C[C@@H](C)OC[C@H]3C)c(=O)n2c1 71800834 PRSDFFDZQYKUOP-VXGBXAGGSA-N 301.346 1.252 0 40 DDAB Cc1cc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)no1 69600156 SGAGMOIPGORDIN-ZDUSSCGKSA-N 317.393 1.998 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 71871189 KPPPRMRMDRJFND-CYBMUJFWSA-N 306.381 1.382 0 40 DDAB O[C@H](COCc1ccccc1)CN1CCC[C@@H]1Cn1cccn1 71876980 HXDMZDSVEOLJIM-MSOLQXFVSA-N 315.417 1.925 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69772243 JOTPQIIGEYBBNR-FPTDNZKUSA-N 320.458 1.785 0 40 DDAB NC(=O)[C@H](Sc1nc(=O)ccn1C1CC1)c1ccccc1 71858609 GUYWDDLNJVHJBC-CYBMUJFWSA-N 301.371 1.897 0 40 DDAB CN1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)CC1 97052219 VLMONLCIGYLQRQ-UHFFFAOYSA-N 322.384 1.697 0 40 DDAB CC(C)(C)c1ccc2c(c1)CN(C(=O)CCNC(N)=O)CC2 97080329 ZOJYFJBHHSABHT-UHFFFAOYSA-N 303.406 1.927 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1scnc1C)C2 72279560 ARFWVVLPDIPCKK-UHFFFAOYSA-N 303.391 1.872 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(OCC2CC2)nc1 72296335 VZFDJBCILIEVLI-CQSZACIVSA-N 312.373 1.812 0 40 DDAB C[C@@H]1C[C@H](N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C(=O)O1 72289496 CEXUVMNGWBKIBO-NEPJUHHUSA-N 322.409 1.189 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CNCCn2cccn2)cc1C 72267840 OCZWYNHWJKZFJO-OAHLLOKOSA-N 300.406 1.967 0 40 DDAB CCC(C)(C)NC(=O)Cn1cc(CCO)c(C(F)(F)F)n1 95460304 FVRRNILPOBLYDP-UHFFFAOYSA-N 307.316 1.742 0 40 DDAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C)cnc2N)c1 89580191 NIMXGXKFYKSHLT-UHFFFAOYSA-N 305.359 1.976 0 40 DDAB COCc1nc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cs1 75124209 MXWQBQKTWGRJIL-UHFFFAOYSA-N 307.375 1.525 0 40 DDAB Cc1ccnc(N2CCC[C@H](C(=O)NCc3cccnc3)C2)n1 35315941 NYNDNEXVJUPAOA-HNNXBMFYSA-N 311.389 1.713 0 40 DDAB Cc1ccc(OCC(=O)Nc2nnc(-c3ccnn3C)o2)cc1 38488063 MSPYFKBPTIPYCD-UHFFFAOYSA-N 313.317 1.796 0 40 DDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1cccc(Cl)c1 36635313 XAXZYKDQENDSMG-SNVBAGLBSA-N 309.778 1.982 0 40 DDAB COc1ccc(CC(=O)NCc2cc(C)nc(N(C)C)n2)cc1 189933747 SCYWXVJFGAVTEB-UHFFFAOYSA-N 314.389 1.719 0 40 DDAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CN 72224694 KJPCBFVXQXUEJL-UHFFFAOYSA-N 306.410 1.906 0 40 DDAB O=c1c2c3c(sc2ncn1CN1CCOCC1)CCCC3 35182993 GBZCTSKRFXLILA-UHFFFAOYSA-N 305.403 1.627 0 40 DDAB CC1(C)COC(=O)C(C)(C)COC(=O)C(C)(C)COC1=O 36451562 LLSXLEDHMHIIPI-UHFFFAOYSA-N 300.351 1.708 0 40 DDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 71284996 YEBGGNXTPTXRQV-AGIUHOORSA-N 317.389 1.384 0 40 DDAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1C 223570724 HCFLUFHVPMAMGY-CABCVRRESA-N 316.430 1.693 0 40 DDAB Cc1ncc2n1C[C@@H](C(=O)NCc1ccc(CO)c(F)c1)CC2 572530833 QARTZQMZEDHEOK-ZDUSSCGKSA-N 317.364 1.702 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@@H](O)c1cccc(Cl)c1 225608021 SPFYZZBETCRILJ-CYBMUJFWSA-N 323.780 1.936 0 40 DDAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223623775 FPTGANHHDYKKJK-GJZGRUSLSA-N 316.430 1.775 0 40 DDAB O=C(Nc1cccc(N2C(=O)CCNC2=O)c1)c1ccncc1 225658877 DVBAASIHMXXRCS-UHFFFAOYSA-N 310.313 1.780 0 40 DDAB Cc1cc(C(=O)O)n2ncc(I)c2n1 95836819 RYXMFAYTCQKUGB-UHFFFAOYSA-N 303.059 1.341 0 40 DDAB CN1C[C@H](NC(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1=O 96415943 YKSBRAJOKZVTAD-SNVBAGLBSA-N 310.785 1.758 0 40 DDAB COc1ccc(N2CCC(C(=O)Nc3ccncc3)CC2)nn1 95472956 QFZPJEATIWKDPN-UHFFFAOYSA-N 313.361 1.735 0 40 DDAB CCO[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H]2CCO[C@@H]21 96219613 ZWANVNITROFYPS-GUTXKFCHSA-N 306.362 1.961 0 40 DDAB CC[C@@H]1N(C(=O)c2ccnnc2)CCC[C@]12CCC(=O)N2C 96052429 LUJORHRUUQOTED-BBRMVZONSA-N 302.378 1.482 0 40 DDAB COC(=O)CN1CCCN(CCOc2ccccc2C)CC1 95432232 DKYNTMIVVWMKFL-UHFFFAOYSA-N 306.406 1.555 0 40 DDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccoc3)C2)O1 96063300 DNUBQJUMSMLYRB-GOEBONIOSA-N 308.378 1.231 0 40 DDAB Cc1cc(NC(=O)c2ccccc2OCc2nnnn2C)no1 96101386 XCJBJTTXXOVNCJ-UHFFFAOYSA-N 314.305 1.338 0 40 DDAB CC1(C)CN(C(=O)Cc2cccc(Cl)c2)CCS1(=O)=O 96462366 GZLFWYMRTOMSAE-UHFFFAOYSA-N 315.822 1.918 0 40 DDAB Cc1ccc(OCCn2ccnc2)c(S(=O)(=O)N(C)C)c1 96490254 POOYOWDWWJDILM-UHFFFAOYSA-N 309.391 1.521 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96055827 HUTIUVSLWXJYPW-CABCVRRESA-N 314.451 1.054 0 40 DDAB Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 98036423 MSWOFARQGIYJOK-HNNXBMFYSA-N 316.401 1.952 0 40 DDAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)CCS1(=O)=O 96462370 LMPGLYNRBUFMPU-UHFFFAOYSA-N 301.795 1.989 0 40 DDAB C[C@H]1CS(=O)(=O)CCN1Cc1coc(-c2ccccc2)n1 96417893 ABUQTVJOZYWJOH-LBPRGKRZSA-N 306.387 1.961 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H]1CCCC[C@H]1C(N)=O 249268038 JLQLYRXAKCTUDU-BPLDGKMQSA-N 315.417 1.598 0 40 DDAB CC(C)c1nnc(CCC(=O)N2CCOC[C@H]2c2ccn[nH]2)o1 257203978 ASLCBXMNZBQRLG-LBPRGKRZSA-N 319.365 1.449 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252516891 XOXMMNSDYLEMSJ-KFWWJZLASA-N 313.419 1.330 0 40 DDAB CCn1cc(CN2CC[C@@H](c3[nH]ncc3C(=O)NC)C2)c(C)n1 257217501 CZFYTOZBJGOPAK-GFCCVEGCSA-N 316.409 1.284 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCCCn2ccnc2)c1 257232260 GKANBAKBPMMDNX-UHFFFAOYSA-N 324.388 1.348 0 40 DDAB Cc1cc(N2CC3(CCOCC3)OC2=O)nc([C@H]2CCCN2)n1 257234239 GSSBLSONVWZVMP-GFCCVEGCSA-N 318.377 1.715 0 40 DDAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2nccn2C)n1 257305391 SPUKYPABDXMTTK-CQSZACIVSA-N 300.410 1.609 0 40 DDAB CN1CCN(CCCc2ccccc2)C[C@H](C(=O)N(C)C)C1 257335311 YJPRVIGVFDVCMJ-QGZVFWFLSA-N 303.450 1.571 0 40 DDAB Cn1ccnc1-c1nccnc1C[C@@H]1CCN(c2ncccn2)C1 257302432 SCXVPGBOFVOFTL-ZDUSSCGKSA-N 321.388 1.736 0 40 DDAB Cc1cccc2c(CCC(=O)N[C@H]3CCN(C(N)=O)C3)c[nH]c12 265939841 ISSNSXUZJWDRJH-ZDUSSCGKSA-N 314.389 1.678 0 40 DDAB Cc1nc(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)O)cs1 646043172 OPKYRTUATLZSFA-NSHDSACASA-N 304.393 1.220 0 40 DDAB O=C(c1cccnc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605625 LVUDERVZGXQLMJ-LBPRGKRZSA-N 304.737 1.819 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(Cc3cnn(C)c3)C2)c1 585269573 ZQENRXCXMMWRAI-QGZVFWFLSA-N 301.390 1.744 0 40 DDAB CC(=O)N1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 27565007 IIMISKLWDVEZTR-QGZVFWFLSA-N 315.417 1.561 0 40 DDAB COC(=O)N(C)CC(=O)Nc1sccc1C(=O)NC1CC1 83857616 SHUSJJKZAKFGJT-UHFFFAOYSA-N 311.363 1.277 0 40 DDAB COc1cc(N2CCN(c3nc(C)cc(C)n3)CC2=O)ccn1 1776007859 HZPRUWKGMSPNMA-UHFFFAOYSA-N 313.361 1.350 0 40 DDAB CN(CC(=O)NC1CC1)[C@@H](C(=O)NC1CC1)c1ccccc1 38372458 WLYFMUPISLBPHE-MRXNPFEDSA-N 301.390 1.217 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)c3ccccc3Cl)C2=O)cn1 98010389 WYDNNLKRIQOHQA-CYBMUJFWSA-N 318.764 1.609 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549167938 RZJNLMPTEZWNAK-UHFFFAOYSA-N 322.311 1.733 0 40 DDAB Brc1nn(C2CCNCC2)nc1Br 1888962454 GGDMFOHREJTNGZ-UHFFFAOYSA-N 309.993 1.728 0 40 DDAB Cc1cc2c(cc3c(=O)n(CC(=O)NC(C)C)nc(C)n32)o1 12115501 ZANRXUMWOGMFNW-UHFFFAOYSA-N 302.334 1.384 0 40 DDAB CC(C)COCCCNS(=O)(=O)c1ccc(C(N)=O)cc1 12972712 BTTIWYAMSORWKP-UHFFFAOYSA-N 314.407 1.127 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1 13026919 OMDHWAJJVRHXEM-AWEZNQCLSA-N 323.345 1.800 0 40 DDAB C[C@H](OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1 15935414 HIQWEHRQHYWGPQ-NSHDSACASA-N 316.361 1.422 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19499992 DHQOOIQSMFARQC-SQUSCZTCSA-N 300.358 1.988 0 40 DDAB Cc1nn(C)cc1CN1CCC(CC(=O)NCC2CC2)CC1 19748398 RDGWKBDUOBKIGA-UHFFFAOYSA-N 304.438 1.857 0 40 DDAB O=C(c1ccco1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206690917 ZNYHHFBEHWPFIW-LBPRGKRZSA-N 309.343 1.702 0 40 DDAB Cc1cc(OC2CN(C(=O)Cc3ccc(F)cc3)C2)cc(=O)o1 206956819 UIJQCIXYRNKCLH-UHFFFAOYSA-N 317.316 1.920 0 40 DDAB O=C(CSc1ccc(F)cc1)N1C[C@H]2C[C@H]1CS2(=O)=O 575609230 ZKVISVSMTHMIMS-CMPLNLGQSA-N 315.391 1.316 0 40 DDAB COc1ccc(CN(C)C(=O)CN2CCC(O)CC2)cc1F 20950884 RHIQJFJQQOXDJF-UHFFFAOYSA-N 310.369 1.249 0 40 DDAB COC(=O)[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 5912662 DSVCCEHVAPGBSG-CYBMUJFWSA-N 319.405 1.512 0 40 DDAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC[C@H]1CCCO1 8231039 IALJQCVVDHNZOH-SECBINFHSA-N 324.431 1.921 0 40 DDAB NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 4770558 OVTYKIUGSFYWRG-OIISXLGYSA-N 306.381 1.979 0 40 DDAB CN1CC2(CN(C(=O)/C=C/c3cccs3)C2)c2nccnc21 2055794326 JDAISLNNLNJKGM-SNAWJCMRSA-N 312.398 1.781 0 40 DDAB COCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1 207975335 SDOKVOFUUUMKMG-UHFFFAOYSA-N 315.420 1.319 0 40 DDAB CC(=O)NCC(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 585408872 KPDUJTCYEULKKA-INIZCTEOSA-N 312.373 1.030 0 40 DDAB COC(=O)c1ccc(CN(C)C(=O)c2cc[n+]([O-])cc2)cc1 30209529 QLLLGWXVGRNKEQ-UHFFFAOYSA-N 300.314 1.379 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(OC)c(OC)c1 40477733 WIAAIRLGAHOWIN-JTQLQIEISA-N 309.366 1.740 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)Nc3nncs3)CC2=O)c(F)c1 40508657 PEFFIADCTAAEFA-VIFPVBQESA-N 320.349 1.977 0 40 DDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccccn2)c1 32548601 HGNYBUQLEJQJCL-UHFFFAOYSA-N 319.386 1.827 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c(C)n1CC(F)(F)F 41128959 IMHIMIIHNQUYPK-JTQLQIEISA-N 317.311 1.615 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCC2CCCCC2)o1 32914129 SISKEBALRZMBSP-UHFFFAOYSA-N 300.380 1.498 0 40 DDAB CCC(C)(C)NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1 415100 QTLOVAKJBGTUOP-UHFFFAOYSA-N 303.366 1.654 0 40 DDAB O=C(OCCCn1cccn1)c1ccc(-n2cncn2)c(F)c1 76090608 WISPPBNEXDTTFI-UHFFFAOYSA-N 315.308 1.850 0 40 DDAB O=C(Nc1nc2ncn(CCO)c2c(=S)[nH]1)c1ccccc1 1625218 SAPDTSFXSIZLEC-UHFFFAOYSA-N 315.358 1.733 0 40 DDAB CC(=O)Oc1ccc([C@@H]2CC(=O)N(CCN(C)C)C2=O)cc1 2033625 ZXFKWBVEQDWEPL-AWEZNQCLSA-N 304.346 1.016 0 40 DDAB COCC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2 3956063 NGFHNCHWJMYGSE-UHFFFAOYSA-N 304.394 1.332 0 40 DDAB C[C@@H](c1ccccc1)n1cc(C(=O)NCCCn2ccnc2)nn1 4102750 ZEQUEHXTJBUKHU-AWEZNQCLSA-N 324.388 1.904 0 40 DDAB Fc1cc(CNC[C@H]2CCN(C3CC3)C2)ccc1-n1cncn1 42229072 FVQAURRZDFDWTP-CQSZACIVSA-N 315.396 1.980 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7305612 NMAKUYZNRCWINC-BLLLJJGKSA-N 320.414 1.765 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)[nH]n1 108530957 PIQCPOZSSKAKRD-GJZGRUSLSA-N 304.394 1.043 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1noc2c1CCCCC2 97165943 ITUGSTFXTFYROV-LBPRGKRZSA-N 305.378 1.636 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1cn(Cc2ccccc2)nn1 97197697 VOGHWATUVVHIAM-AWEZNQCLSA-N 322.372 1.268 0 40 DDAB O=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC3 12537879 RLKDGJDDFZSBNE-UHFFFAOYSA-N 306.325 1.990 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@@H]1N1CCOCC1 107354638 CDVDLGJRAZOMOS-ZNMIVQPWSA-N 306.410 1.013 0 40 DDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2cccn2C)[C@H](C)C1 72300632 SCKBPGFSUIXZSV-HIFRSBDPSA-N 313.467 1.563 0 40 DDAB CCOC(=O)Cc1cs/c(=N/C(=O)c2ccccc2)n1N 104202755 DFHJOJVDRJQZIB-JQIJEIRASA-N 305.359 1.110 0 40 DDAB COc1ccc(-n2cc(C(=O)NCc3cccnc3)nn2)cc1 57511597 CUFSZOPDCSKAAX-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)CC 175859284 JSOBBXLFMBGCBF-UHFFFAOYSA-N 300.380 1.305 0 40 DDAB CCOc1ccc(CCC(=O)N2CCc3c(nnn3C)C2)cc1 72306435 SFJCOBHRWVGFGA-UHFFFAOYSA-N 314.389 1.731 0 40 DDAB Cc1ccoc1C(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108532861 SRKQRGXVSFROBO-GJZGRUSLSA-N 304.390 1.913 0 40 DDAB Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)N(C)C)c(C)c1 28045413 LTBJQGOSAKVFGF-UHFFFAOYSA-N 313.423 1.289 0 40 DDAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(OC)cc1 44889147 BHRVSJNRMPWQDJ-ZIAGYGMSSA-N 307.346 1.595 0 40 DDAB COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1COc2ccccc2C1 58278662 YILJBRDJDTUSDN-KBPBESRZSA-N 320.389 1.877 0 40 DDAB CCNC(=O)c1ccc(NC(=O)NCCNC(C)=O)c(C)c1 48109246 XLFKQSSWUYZCLQ-UHFFFAOYSA-N 306.366 1.002 0 40 DDAB O=C(O)C[C@H](NC(=O)c1ccc(O)nn1)c1ccccc1Cl 44915365 IJMKRTZSHCIDSX-NSHDSACASA-N 321.720 1.781 0 40 DDAB CC[C@@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)CCO1 44968326 YEZZAEOPNMEPKH-CQSZACIVSA-N 319.409 1.266 0 40 DDAB O=C(NCCCn1cncn1)N1CCN(c2ccccc2)CC1 45646668 LRZDCJFILXYRFB-UHFFFAOYSA-N 314.393 1.200 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 48310314 DWIDGJJRQQZBIF-NSHDSACASA-N 324.450 1.319 0 40 DDAB COC[C@H](C)n1c(SCC(=O)OC)nc2ccccc2c1=O 3403145 MHRXUXCUKZURHX-JTQLQIEISA-N 322.386 1.869 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1F 38020892 ITXQKKMPAPUBCH-UHFFFAOYSA-N 309.746 1.964 0 40 DDAB CC(C)CCNC(=O)NC(=O)CSc1nnc(N)s1 3513206 QYWDLPSAXASFRE-UHFFFAOYSA-N 303.413 1.084 0 40 DDAB Cc1ccc(C(=O)NS(=O)(=O)C[C@@H]2CCCCO2)cc1F 72079297 UPLDONQGMQNVDR-LBPRGKRZSA-N 315.366 1.763 0 40 DDAB COc1ccc(C2(CNC(=O)/C=C/C(=O)O)CCOCC2)cc1 12902773 UJCMNJXXALKENO-VOTSOKGWSA-N 319.357 1.500 0 40 DDAB biogenic O=C(NCCc1ccccc1)NC1CCN(C(=O)C2CC2)CC1 12984123 SKISMRNOGIRODK-UHFFFAOYSA-N 315.417 1.929 0 40 DDAB CC1=NN(c2ccc(C(=O)N3CCn4c(C)nnc4C3)cc2)CC1 71185963 TXSUEJPVTVGBEA-UHFFFAOYSA-N 324.388 1.829 0 40 DDAB C[C@H]1CCCN(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)C1 6056016 QBCUWDCOHLGXRP-WFASDCNBSA-N 319.357 1.628 0 40 DDAB O=C(O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 5245694 RMNJIYJAJXQLHQ-ZUEPYMLJSA-N 316.401 1.708 0 40 DDAB NC(=O)[C@@H]1CCCCN1CC(=O)N[C@@H]1CCCc2ccccc21 14169390 BKKYCAHZTOXMIZ-CVEARBPZSA-N 315.417 1.520 0 40 DDAB COc1ccc([C@H](NC(=O)C2=NNC(=O)CC2)C2CC2)cc1 65614075 ZIVUIWROCJUTBC-OAHLLOKOSA-N 301.346 1.529 0 40 DDAB CN1CCCNCCN(Cc2ccccc2)CCCN(C)CC1 68604161 MPWAAQGROPRQBN-UHFFFAOYSA-N 318.509 1.736 0 40 DDAB CCc1ccccc1NC(=O)CNC(=O)c1ccc2[nH]nnc2c1 9367356 WUAOYDPBEHBTHQ-UHFFFAOYSA-N 323.356 1.889 0 40 DDAB Cc1cnn(C2CN(CC(=O)N(C)Cc3ccc(C)o3)C2)c1 70016063 SKKBQDYNVRCWID-UHFFFAOYSA-N 302.378 1.608 0 40 DDAB C[C@H](N[C@H](C)Cn1cccn1)C(=O)NCCc1cccs1 69371176 UEYQOMZXQXILRA-OLZOCXBDSA-N 306.435 1.670 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(O)c1 69515075 YVGOAVHJHGGOCL-LLVKDONJSA-N 307.346 1.626 0 40 DDAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)o1 69566060 FESQHDOTVQMZIW-UHFFFAOYSA-N 321.358 1.406 0 40 DDAB CCCOc1ccccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 71793011 ABZZABLCQXYZLE-GFCCVEGCSA-N 306.362 1.188 0 40 DDAB COCCn1nc(C)c(CNC(=O)c2c(C)noc2C)c1C 69656905 ISUVSGSJYCKLNP-UHFFFAOYSA-N 306.366 1.681 0 40 DDAB CC(C)NC(=O)C[C@@H](C)NC(=O)c1c(O)cc(F)cc1F 96440997 DYEPJWPVHYYNCO-MRVPVSSYSA-N 300.305 1.703 0 40 DDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](n2ccnc2)C1 69973803 MKAMTCJXRDNBRI-OLZOCXBDSA-N 313.423 1.260 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@@H]2CSc3ccccc3O2)CC1 71871441 MYQBPXLHAMRZKJ-OCCSQVGLSA-N 322.430 1.065 0 40 DDAB COc1ccc(CCC(=O)NCc2n[nH]c(C)n2)cc1OC 71882344 VBYCZCNAJWPXJB-UHFFFAOYSA-N 304.350 1.379 0 40 DDAB COCc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)o1 72235138 CLOJZWBLNMQAHI-LBPRGKRZSA-N 304.350 1.803 0 40 DDAB CCN1N=C(C(=O)NCCCOc2ccc(F)cc2)CC1=O 71911666 VZGHYBPRMWQVHL-UHFFFAOYSA-N 307.325 1.319 0 40 DDAB CCN(CN1C(=O)C(=O)c2cc3c(cc21)OCCO3)C(C)C 71920451 NUCXKAGTFKMYFB-UHFFFAOYSA-N 304.346 1.675 0 40 DDAB CCc1c(C(=O)N2CCN(C)c3ccccc3C2)nnn1CC 95401313 SMRCIQWPYOIOBG-UHFFFAOYSA-N 313.405 1.953 0 40 DDAB O=C(NCCN1CCN(c2ccncc2Cl)CC1)C1CCC1 95408834 SKSDAVLGGBRBRO-UHFFFAOYSA-N 322.840 1.773 0 40 DDAB CCCSCC(=O)N1CCC(c2ccnn2CCO)CC1 95444572 IFMVZYZBLMVCJD-UHFFFAOYSA-N 311.451 1.725 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCN(C(C)C)C1=O 88559994 DTBSPCNHZQJMLN-QWHCGFSZSA-N 305.426 1.664 0 40 DDAB CCOCc1ccccc1NC(=O)N1CCN(CCO)CC1 75110861 DJYDEKIKOOCLDZ-UHFFFAOYSA-N 307.394 1.365 0 40 DDAB Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)n2)c(=O)[nH]1 75119948 ZJEJRGJZXDJZJV-UHFFFAOYSA-N 323.356 1.536 0 40 DDAB CCn1cnnc1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125425 ZUYHJBOITDBGKE-UHFFFAOYSA-N 313.317 1.176 0 40 DDAB Cn1cnnc1SC[C@@H](O)COc1cccc2[nH]ccc12 89761949 FORNYCKCQRXMRE-JTQLQIEISA-N 304.375 1.828 0 40 DDAB Cn1c(N)nnc1S[C@H]1CCCN(c2ccccc2)C1=O 89741351 YWMSTLAQOOUVNT-NSHDSACASA-N 303.391 1.685 0 40 DDAB O=C(c1cccc2[nH]ncc12)N1CCN([C@H]2CCC[C@@H]2O)CC1 89774364 BHYAZPHUFOWNIK-HOTGVXAUSA-N 314.389 1.234 0 40 DDAB CC(C)c1nccc(N2CCC(O)(c3ccnn3C)CC2)n1 1548520303 GHOZJFPCIYNPAR-UHFFFAOYSA-N 301.394 1.822 0 40 DDAB COc1ccc2c(=O)c(C(=O)NC[C@H]3CCCO3)c[nH]c2c1 35288700 VTLMHPMABVCJKH-LLVKDONJSA-N 302.330 1.446 0 40 DDAB COc1cc(C(=O)CCN2CCOCC2)cc(OC)c1OC 31923907 HFEWVLHTQPVLCA-UHFFFAOYSA-N 309.362 1.617 0 40 DDAB O=C(N1CC2(C1)OCC[C@H]2COCc1ccncc1)C1(F)CC1 306127203 FRQPMSJSUPOWJL-AWEZNQCLSA-N 320.364 1.718 0 40 DDAB COc1c[nH]c(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1=O 524734678 BXEPJOYQABESDS-INIZCTEOSA-N 314.341 1.597 0 40 DDAB COc1ccc(-c2nc(CNC(=O)[C@@H]3CCCO3)n[nH]2)cc1 152438447 JKEGMQFUMBEDFA-LBPRGKRZSA-N 302.334 1.276 0 40 DDAB O=C1N[C@]2(CCCN(C(=O)c3ccncc3)C2)Nc2ccccc21 72347508 JEPAIQOKJIMOCI-SFHVURJKSA-N 322.368 1.869 0 40 DDAB CN1CCN(C(=O)CCS(C)(=O)=O)c2ccc(F)cc21 72535237 NRXYACSMBJAYNF-UHFFFAOYSA-N 300.355 1.043 0 40 DDAB Cc1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)O)C2=O)o1 35648533 NBCCXIJGLPWTRH-ZKUGPGMGSA-N 313.356 1.235 0 40 DDAB CCN(CC)S(=O)(=O)c1cncc(Br)c1NN 72210855 UHNPZHQUOHSVOL-UHFFFAOYSA-N 323.216 1.160 0 40 DDAB CCn1cc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cn1 81674754 FHMOWOXXJWAYKC-GFCCVEGCSA-N 302.382 1.733 0 40 DDAB CC(C)COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 565194542 DIPIDWWLGYSRNK-HOTGVXAUSA-N 306.406 1.468 0 40 DDAB Cc1csc([C@@H]2COCCN2C(=O)NCc2cc[nH]n2)n1 190077800 UEYATPGQRPDLAU-NSHDSACASA-N 307.379 1.458 0 40 DDAB COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(C)=O 222821177 KMHCVZUWERSJLE-LLVKDONJSA-N 312.797 1.840 0 40 DDAB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3cccs3)C[C@H]21 514289577 LGQMCKYPQBLJRG-KGLIPLIRSA-N 315.398 1.861 0 40 DDAB biogenic,in-vitro CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccc1 96041563 FCHWCRXQZZHRGN-LZLYRXPVSA-N 318.417 1.523 0 40 DDAB CN(C)CC(=O)N1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2C1 96081076 BTMIHLMBIOQWME-KBPBESRZSA-N 316.405 1.170 0 40 DDAB CC(C)(C)CCN1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514289175 FVRABHDDNKRSSB-OCCSQVGLSA-N 324.446 1.846 0 40 DDAB biogenic,in-vitro COC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccs2)O1 96186029 AFZHNNNMULTIIK-SRVKXCTJSA-N 317.432 1.705 0 40 DDAB CCOc1cc2c(cc1Cn1cnnc1[S@@](C)=O)O[C@@H](C)C2 96408055 HURGJDQOJIFIIE-MGUXCZDKSA-N 321.402 1.786 0 40 DDAB Cc1ccnc(NC(=O)CCNC(=O)c2cc(C)nn2C)c1 96192434 QSMVXWBKHLJQDU-UHFFFAOYSA-N 301.350 1.191 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184855 JMFKHVBXFUIDAA-KGLIPLIRSA-N 302.378 1.083 0 40 DDAB C[C@@H]1N(C)C(=O)COC12CCN(C(=O)Cc1ccsc1)CC2 96201521 LEAXOZNZTHEVNR-LBPRGKRZSA-N 322.430 1.529 0 40 DDAB COCC(=O)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 96109204 XPVIXBUDIMSTQJ-WBVHZDCISA-N 311.422 1.705 0 40 DDAB O=C([C@H]1CCCO1)N1CCn2cnc(COCC3CC3)c2C1 96085180 PLSHSNJPNSPXFW-OAHLLOKOSA-N 305.378 1.331 0 40 DDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1cnoc1)C2 96220164 KMSJITYJSGCZGJ-DOTOQJQBSA-N 319.405 1.495 0 40 DDAB OC[C@@H]1CN(c2ncccc2OCc2ccccc2)CCO1 97137379 NMKDUGCSZWPCMS-HNNXBMFYSA-N 300.358 1.858 0 40 DDAB CN1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 96062923 ZTWYYWAAYGXNOM-UHFFFAOYSA-N 304.365 1.839 0 40 DDAB Cn1cnc2c1[C@H](COCC1CC1)CN(CCN1CCCC1)C2 96044938 NIHGXXZNRPHYFS-INIZCTEOSA-N 318.465 1.842 0 40 DDAB O=S1(=O)CC[C@@H](NC(=S)Nc2ccccc2Cl)C1 242804853 FFZIDHRYHCDFFM-MRVPVSSYSA-N 304.824 1.814 0 40 DDAB COc1cccc(NC2CCN(c3nccn(C)c3=O)CC2)c1 608085842 UWSDCYMYVQFVSF-UHFFFAOYSA-N 314.389 1.870 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cccnc1 257206259 BCPYVWYQBODQTL-ZDUSSCGKSA-N 320.418 1.935 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2c(C)noc2C)CCO1 257242669 IDPFGCRWRBRGIL-NSHDSACASA-N 317.349 1.337 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2c[nH]nc2C)n1 257301382 RYGWFKGQHDKLHO-CYBMUJFWSA-N 302.382 1.432 0 40 DDAB CN(C)C1CN(C(=O)Nc2cccc(N3CCOCC3)c2)C1 543564284 PXLXZGZYKGEZPZ-UHFFFAOYSA-N 304.394 1.301 0 40 DDAB C[C@]1(NCCNCc2cccc(F)c2)CCS(=O)(=O)C1 575423070 XZQANLRJKPZLFV-AWEZNQCLSA-N 300.399 1.082 0 40 DDAB CO[C@]1(CCC(N)=O)CCCN(Cc2ccc(C(=O)O)cc2)C1 585277032 JKGFZPYKKVICLE-KRWDZBQOSA-N 320.389 1.631 0 40 DDAB O=C(CN1CC[C@](O)(COc2ccc(F)cc2)C1)NC1CCC1 585277897 QRSZRFFIGXEAPL-QGZVFWFLSA-N 322.380 1.310 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1ccnn1C)[C@H]2C 585098292 TUGPXQFLWBLUJN-LBPRGKRZSA-N 317.393 1.413 0 40 DDAB Cc1ccc2c(c1)CC[C@H](C(=O)NCc1nc(C(N)=O)co1)O2 585113370 VRPTZWSEJQLABY-CYBMUJFWSA-N 315.329 1.092 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1cnn(C)c1)[C@@H]2C 585097445 KDZDCYIWUGOPFP-GFCCVEGCSA-N 317.393 1.413 0 40 DDAB Cn1cc(CN[C@H]2CCc3ncnn3C2)c(-c2cccnc2)n1 69521491 MIGFDYKPIZDETA-AWEZNQCLSA-N 309.377 1.178 0 40 DDAB Cn1cc(CCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 55404225 CJXHBVUMIGVRMM-UHFFFAOYSA-N 314.267 1.699 0 40 DDAB Cc1nn(CC(=O)N[C@H](C(N)=O)c2ccccc2)c(C)c1Cl 57447717 URIQCMNCDASCPN-AWEZNQCLSA-N 320.780 1.496 0 40 DDAB O=C(CCc1cscn1)NCc1ccc(-c2nnn[nH]2)cc1 75136845 CDYVEQRAHNFNSY-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB C[C@H]1CN(C)c2ccccc2N(CCN2C(=O)CNC2=O)C1 76040623 DEVQDTIKWGYRBZ-LBPRGKRZSA-N 302.378 1.131 0 40 DDAB Cc1nc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)no1 89718085 RRULEZWDWNXDRD-UHFFFAOYSA-N 324.340 1.518 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 11566223 HHULSPZOHPQHBK-UHFFFAOYSA-N 311.359 1.498 0 40 DDAB C[C@H](NC(=O)[C@@]1(C)CCCO1)c1nc(-c2ccncc2)n[nH]1 12191831 QVIGXEJMVXLHOG-ZUZCIYMTSA-N 301.350 1.613 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCC1 14352406 YFOUGWMSSGUGCF-LBPRGKRZSA-N 315.377 1.879 0 40 DDAB Nc1nc(N)nc(CSc2nc(CCC3CCCC3)n[nH]2)n1 14805708 BSOQTSPZOHKIGX-UHFFFAOYSA-N 320.426 1.569 0 40 DDAB Cn1ccc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)no3)C2)n1 19290875 HRDQCNLHJNYRRM-LLVKDONJSA-N 324.344 1.495 0 40 DDAB CC(C)CC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19446564 AXQLZLXVHHZBTI-ZDUSSCGKSA-N 302.422 1.874 0 40 DDAB Cc1ccccc1OCCN1CCO[C@@H](Cn2cccn2)C1 105920985 YQJCXDOCTMYICE-MRXNPFEDSA-N 301.390 1.971 0 40 DDAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 225624149 CZBDTYZYOZUZMQ-CQSZACIVSA-N 310.419 1.757 0 40 DDAB CO[C@H]1[C@H](CNC(=O)c2ccc(C)c(C)c2)COC[C@H]1OC 643585384 FCZFCYOGQNQLFC-OAGGEKHMSA-N 307.390 1.710 0 40 DDAB CN(C)c1ncccc1CNC(=O)[C@H]1C(=O)NC[C@@H]1C(C)(C)C 585149609 JKUUXQQYBCOKFK-STQMWFEESA-N 318.421 1.172 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3nnc(C)s3)CC2)n1 1888899148 FDMHEUVJCYHOMS-UHFFFAOYSA-N 319.438 1.338 0 40 DDAB Cc1ncnc(N2CCN(c3ccc4nccn4n3)CC2)c1C 1889134489 XKGUTDMFXNNVSF-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB O=C(NS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1 128944179 MJSBXFJYEPMWAL-UHFFFAOYSA-N 306.746 1.550 0 40 DDAB O=C(N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1)C1(F)CC1 1565546077 SFFNZDCLBGNQCE-DGCLKSJQSA-N 316.380 1.677 0 40 DDAB O=C(CSc1cc[nH]c(=O)n1)N1CCCc2ccccc21 4314561 WHZCVWAFOWYEFI-UHFFFAOYSA-N 301.371 1.841 0 40 DDAB CCCn1/c(=N/C(C)=O)sc2cc(S(C)(=O)=O)ccc21 4486105 ZKUCBJJZFKIASX-YPKPFQOOSA-N 312.416 1.964 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](NCC1CCOCC1)CC2 2055738957 DOVKEACJVBZFHF-CYBMUJFWSA-N 321.421 1.686 0 40 DDAB Cc1cccc(-c2nnc(CSc3nnc(C)n3N)o2)c1 7314489 OWIBIYWGQZQSDU-UHFFFAOYSA-N 302.363 1.951 0 40 DDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccccn1 31710104 XAFNJSDQIXKLMP-UHFFFAOYSA-N 319.386 1.076 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40553817 MEYBMCHMJHWSAO-LSDHHAIUSA-N 323.414 1.874 0 40 DDAB C[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCO1 40540052 DJUKAWZOVIXGOL-GFCCVEGCSA-N 314.407 1.285 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)[C@@H]1Cc2cc(Cl)ccc2O1 40521645 KZDQRHZBCFNKKJ-YPMHNXCESA-N 308.765 1.428 0 40 DDAB CC[C@@H](C(=O)NCCN1C(=O)CSC1=O)c1ccccc1 40554812 BLSKZSBXRQFEKA-GFCCVEGCSA-N 306.387 1.992 0 40 DDAB CCN(CC(=O)NC)C(=O)c1nn(-c2ccccc2)cc1OC 40539454 WWSOYYSCZGZITC-UHFFFAOYSA-N 316.361 1.089 0 40 DDAB Cc1ccc(-c2noc(CC[C@H]3NC(=O)NC3=O)n2)cc1F 20784654 SULGEBAZEZGVEE-SNVBAGLBSA-N 304.281 1.325 0 40 DDAB CCc1nnsc1C(=O)OCc1cc(=O)n2ccccc2n1 32747415 BLSQQGQGAGIRGS-UHFFFAOYSA-N 316.342 1.465 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 52471105 ROZDYIVGYKOPDA-UHFFFAOYSA-N 321.768 1.429 0 40 DDAB C[C@H](CNC(=O)Cn1ccccc1=O)N1CCc2ccccc21 32817342 MAPGZUGBCINKAP-CQSZACIVSA-N 311.385 1.416 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN(Cc3ccccc3)C3CC3)nc21 52827246 FQFVUPSRPIZLDY-UHFFFAOYSA-N 309.373 1.821 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2ccccc2=O)c1 21996981 GNXUYAPSYRCKOS-LBPRGKRZSA-N 316.357 1.743 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCc2ccccc21 2643259 DUNAWZQDWGHNEE-UHFFFAOYSA-N 305.341 1.929 0 40 DDAB COc1ccsc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76052591 AVLLSFWJOJVKPJ-NWDGAFQWSA-N 310.419 1.549 0 40 DDAB CC(C)OC[C@H](O)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 519387 FQWYZLYUAHEXFV-SOUVJXGZSA-N 306.406 1.053 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nnc2ccccc2c1=O 1328157 BLEMYUNAFVRLSA-RYUDHWBXSA-N 300.362 1.581 0 40 DDAB O=C1NC2=C(C(=O)OC2)[C@@H](c2ccc(Br)cc2)N1 1344510 HKEQHDZSGDHLCU-SNVBAGLBSA-N 309.119 1.614 0 40 DDAB CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccccc1 3501403 YMXIRIGRKBVBQJ-UHFFFAOYSA-N 305.363 1.252 0 40 DDAB COCCCn1c(Cc2ccccc2)nnc1SCC(N)=O 4161282 LLRSNTZBGJFZCJ-UHFFFAOYSA-N 320.418 1.483 0 40 DDAB CC(C)c1cc(C(=O)N2CCC(CN3CCOCC3)CC2)n[nH]1 53569708 WLUMFIHGDKIGMG-UHFFFAOYSA-N 320.437 1.718 0 40 DDAB COc1ccc([C@H](C)NC(=O)C(=O)NCc2cccnc2)cc1 4959371 JXLODLSZSYUJRX-LBPRGKRZSA-N 313.357 1.584 0 40 DDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)NCC(C)C 7454972 JAINQLYXCRTMJV-UHFFFAOYSA-N 301.346 1.627 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1 102801120 QDEKDVBQWZTJEH-NZBPQXDJSA-N 302.374 1.196 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)O[C@@H](C)C(=O)OC)ccc21 8132383 IVESVHWKCQXIKS-JTQLQIEISA-N 318.329 1.443 0 40 DDAB C[C@@H]1Oc2ccc(NC(=O)NCc3cnn(C)c3)cc2NC1=O 54386291 CKCNOUDDLCPDLY-VIFPVBQESA-N 315.333 1.461 0 40 DDAB NC(=O)[C@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1 54692462 OSHQENGBLWQDOZ-OAHLLOKOSA-N 306.325 1.586 0 40 DDAB NC(=O)CC1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 61979537 RSTFYUCGVJUHEA-UHFFFAOYSA-N 300.358 1.576 0 40 DDAB COCC(=O)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 47995399 HHGQASVGERQTAY-UHFFFAOYSA-N 315.373 1.632 0 40 DDAB Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1 43532102 QJXPQPVISOBGKO-UHFFFAOYSA-N 306.391 1.395 0 40 DDAB COc1cccc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)c1 3291749 WIQBLKMXPMEOPT-UHFFFAOYSA-N 307.346 1.583 0 40 DDAB CC(=O)c1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 3252270 WJFKPXKDWWJHAE-UHFFFAOYSA-N 313.313 1.783 0 40 DDAB COc1ccc(-c2noc(CN3CCOC[C@@H]3C)n2)cc1OC 26451568 AQRPTGMRTCNYFQ-NSHDSACASA-N 319.361 1.975 0 40 DDAB CC[C@@H](C)CS(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1 108084092 LXWQEPTYLPBENX-KGLIPLIRSA-N 320.499 1.387 0 40 DDAB COCCc1cc(NC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)n(C)n1 108370098 DANHHLHEIXFENT-JSGCOSHPSA-N 321.425 1.309 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)cc1 3284776 BCCJGTBMJNTICG-NSHDSACASA-N 317.389 1.414 0 40 DDAB CC(C)N1CCC2(CC1)NC(=O)c1ccccc1-n1nnnc12 35606345 JJYKSRJLCUWXLJ-UHFFFAOYSA-N 312.377 1.105 0 40 DDAB OCCN1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 58029050 FZOKEGXLIGWHJU-UHFFFAOYSA-N 322.796 1.099 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCOC[C@H]1C 44912210 VAXMSFIPYOBINJ-GFCCVEGCSA-N 315.373 1.342 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)NCC[C@@H]1CCCO1 44967787 BGRDEFTWEUMIED-NSHDSACASA-N 307.350 1.485 0 40 DDAB CCn1cnnc1CNC(=O)NCCO[C@H]1CCCC[C@H]1C 44955642 YDEUFRMSCYZSES-OLZOCXBDSA-N 309.414 1.693 0 40 DDAB CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3C(C)C)n(C)c1=O 10386928 FEVJVFBDXBLWRA-JTQLQIEISA-N 318.381 1.082 0 40 DDAB COC(=O)c1c(CC(=O)NC[C@@H]2CCCO2)[nH]c(C(C)=O)c1C 58356563 JQNXVYXUNGTLFV-NSHDSACASA-N 322.361 1.150 0 40 DDAB COc1c(CNCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c(C)nn1C 58391475 XDVUMTKMEDGXPK-BETUJISGSA-N 324.469 1.715 0 40 DDAB O=C(CNC(=O)NCc1ccccn1)NCCc1ccccc1 58472016 BGNNRUCHFUVHRV-UHFFFAOYSA-N 312.373 1.240 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@]2(C)C12CC2 102200309 JEEMXIZVKNXKNM-ZRNNSCFXSA-N 322.401 1.565 0 40 DDAB in-vitro CCOC(=O)CCCNC(=O)COC(=O)c1ccc(O)cc1 3318580 OLBBZQSYPLTKBT-UHFFFAOYSA-N 309.318 1.009 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 36575919 ZIPIOZREBRPGEG-ZUZCIYMTSA-N 316.357 1.846 0 40 DDAB CC1=NN(c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 45768797 UVEDOEKGQZDCIM-CYBMUJFWSA-N 321.402 1.190 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(O)CCCC2)c1C 45891511 WBKCMZYJIIHLJW-UHFFFAOYSA-N 307.346 1.865 0 40 DDAB COc1ccc([C@H](C)NC(=O)NCc2cc[nH]n2)cc1OC 48313735 DZPWZYIXRQEUGW-JTQLQIEISA-N 304.350 1.987 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(OC(F)F)cc1 3411823 WBIZFJHYAARTCF-UHFFFAOYSA-N 315.305 1.542 0 40 DDAB Cn1nnnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 13020562 KZSQEJKHZIHWFE-UHFFFAOYSA-N 308.754 1.392 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccnn2C)n1 71865586 GSNVPFMSAFDLDO-AWEZNQCLSA-N 301.394 1.928 0 40 DDAB Cc1ccc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)CC3)[nH]n2)o1 71871274 QPQAPLXEOKHXDV-LLVKDONJSA-N 318.377 1.117 0 40 DDAB CC(C)(C)CN(CC(F)(F)F)C(=O)[C@@H]1CCS(=O)(=O)C1 71804229 KMFFPQFLOBQDAA-SECBINFHSA-N 315.357 1.858 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2CN(CCCc3ccccc3)C[C@H]2C1 63526827 QGBHXYICRFUQRV-IRXDYDNUSA-N 322.474 1.833 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12 65401532 SFLCLNNXWIFWHX-GWCFXTLKSA-N 303.366 1.966 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 65609407 FNAFJEGKUPYBRJ-ZDUSSCGKSA-N 306.410 1.687 0 40 DDAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 4548083 HXFZPVBTHKYMHV-NWDGAFQWSA-N 307.394 1.546 0 40 DDAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCOCC1 5439042 ORFKMKXJAGCNLI-UHFFFAOYSA-N 324.402 1.089 0 40 DDAB CCCCNC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 14399219 XMEHNFYHLSCEEJ-LBPRGKRZSA-N 303.362 1.760 0 40 DDAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC2CC2)C1=O 5791747 FJNVEAMQBQZVHE-HNNXBMFYSA-N 323.299 1.010 0 40 DDAB O=C(COC[C@H]1CCCO1)NCc1nc(-c2cccs2)n[nH]1 66651775 GPFABCDALMGRDD-SNVBAGLBSA-N 322.390 1.345 0 40 DDAB CN(CCS(=O)(=O)CCC(N)=O)[C@H]1CCCc2ccccc21 15291631 LYFVONPQAZHAQP-HNNXBMFYSA-N 324.446 1.286 0 40 DDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccccc1 67286597 ZJKVOUIETLPHSR-OAHLLOKOSA-N 315.373 1.563 0 40 DDAB CC(C)(CNc1cnn(-c2ccccc2)c(=O)c1Cl)C(N)=O 71955477 WJUHTOYGURKSMC-UHFFFAOYSA-N 320.780 1.809 0 40 DDAB CCCCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425690 UXIRDKXGBWQJFY-LLVKDONJSA-N 319.409 1.460 0 40 DDAB COC(=O)CNC(=O)c1csc(COc2ccc(C)cc2)n1 9691510 YTPRKSFXXPHOLV-UHFFFAOYSA-N 320.370 1.933 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc2ccccc2oc1=O 7898624 NOSOUYHZGIVAML-UHFFFAOYSA-N 320.308 1.766 0 40 DDAB Cc1c(O)ccc2c(COC(=O)c3cnn(C)c3)cc(=O)oc12 16551361 MXUFFMFBOKLTNZ-UHFFFAOYSA-N 314.297 1.898 0 40 DDAB CCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 8164238 DCRPBSFMJDIEOE-UHFFFAOYSA-N 314.411 1.144 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNC[C@@H]1CCCCO1 69150600 ZEQRQPJZIDQELR-AWEZNQCLSA-N 312.435 1.596 0 40 DDAB CCOc1ncccc1NC(=O)NCCS(=O)(=O)CC 69224056 RQUCQJRHJRCHHK-UHFFFAOYSA-N 301.368 1.037 0 40 DDAB C[C@H](C1CC1)N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 70039421 VFLWYGIDBKQSFT-XBFCOCLRSA-N 306.406 1.809 0 40 DDAB Cn1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)n1 16978445 SMZWNKBSMPITFS-UHFFFAOYSA-N 309.347 1.238 0 40 DDAB CN(C)c1ccc(NC(=O)c2ccc(OCC(N)=O)cc2)nc1 69493948 ZPOCOFYIKYYRGI-UHFFFAOYSA-N 314.345 1.264 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](n2cccn2)C1 69431906 GWMWUJVWPGWDJR-CZUORRHYSA-N 313.357 1.887 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCCCC[C@H]1c1cccc(C)c1 83611307 HGLNUZDSNRXWRT-HNNXBMFYSA-N 324.446 1.988 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2noc(C3CC3)n2)n1 69560098 PKGTWFDCIXVXBY-ZDUSSCGKSA-N 302.382 1.820 0 40 DDAB C[C@@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 17327339 VSQHPPAWBHJGBQ-ZIAGYGMSSA-N 316.401 1.992 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)COCC(F)(F)F)C2 69696603 ACYFJQYBAPMUAV-UHFFFAOYSA-N 306.288 1.323 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cn12 69778934 WKYBJKLFUAIKKP-LSDHHAIUSA-N 313.405 1.737 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 69840756 SJDJWAOUQCQKHT-CYBMUJFWSA-N 320.393 1.011 0 40 DDAB Cn1cc([C@@H]2CCCN2C[C@H](O)COC[C@@H]2CCCO2)cn1 69815273 MFXSGAUFSCINNT-JYJNAYRXSA-N 309.410 1.114 0 40 DDAB CCc1ccccc1OCC(=O)N1CCCC[C@H]1CNC(N)=O 69950415 PXAUVBDGIOZAHE-AWEZNQCLSA-N 319.405 1.677 0 40 DDAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@H](c2nnn[nH]2)C1 97021006 TTYDYHPFZDMHSP-FZLLLIJMSA-N 315.421 1.978 0 40 DDAB O=C(CC(F)(F)F)NCc1ccccc1CN1CC[C@H](O)C1 97081776 VYLZGZDVYWVIHH-ZDUSSCGKSA-N 316.323 1.822 0 40 DDAB c1ccc(Cn2ccnc2CNC[C@H]2CCc3nncn3C2)cc1 72252913 QWOWOWZOLKVIHA-MRXNPFEDSA-N 322.416 1.875 0 40 DDAB COc1ccc(NC(=O)COc2cn(C)c(C)cc2=O)cn1 72402053 CQXNOHUVSNZFEM-UHFFFAOYSA-N 303.318 1.115 0 40 DDAB CN(C(=O)CCNC(=O)[C@H](O)c1ccccc1)c1ccccc1 72957460 YMELBVQSAHBJOH-QGZVFWFLSA-N 312.369 1.889 0 40 DDAB CC(=O)c1csc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 95445610 PMUDCZFIZPKPSX-ZIAGYGMSSA-N 322.430 1.934 0 40 DDAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCNC(=O)CC1 98007498 KOGKPEBTCAINMO-LBPRGKRZSA-N 310.781 1.846 0 40 DDAB CCn1ccnc1CN1CCO[C@H](CNc2cccnn2)C1 89310011 XHQDJOYMDIIMAX-CYBMUJFWSA-N 302.382 1.006 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN1CCOc1cccc(Cl)c1 89774668 NQAHQIUXFGNFET-LBPRGKRZSA-N 318.826 1.472 0 40 DDAB CC[C@@](C)(NC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)O 89941975 VIOLRPDNILRAAB-XJKSGUPXSA-N 306.362 1.623 0 40 DDAB COc1cc(F)cc(F)c1S(=O)(=O)NCCc1cnoc1 1548434091 SHIAQXQASBNZBU-UHFFFAOYSA-N 318.301 1.482 0 40 DDAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](O)C1 61707122 NIVHRIVGCJWLPM-LURJTMIESA-N 312.210 1.266 0 40 DDAB CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(OC)ccc21 22235902 CWTLBAMMGJYWDN-UHFFFAOYSA-N 316.357 1.502 0 40 DDAB O=C(N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21)c1nccc2cccnc12 1551445319 FTOSZZUSFKNUOP-QNWHQSFQSA-N 311.341 1.859 0 40 DDAB CN1CCC[C@@H]1c1nc(C(=O)N2CCOCC2)c2ccccn12 306124687 BWOJDOYMGVUYJM-CQSZACIVSA-N 314.389 1.573 0 40 DDAB c1ccc(N2CCN(c3c4c(nc5ncnn35)CCC4)CC2)nc1 32501643 YTUDLJWCYDAEBJ-UHFFFAOYSA-N 321.388 1.335 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@H]1c1ccccc1 72237933 XJCJNKDVZFNULG-CVEARBPZSA-N 314.341 1.494 0 40 DDAB O=C(Nc1cnc2c(c1)CNC2=O)c1cc(-c2ccccc2)[nH]n1 1558762090 FZKGAOWTDUZTLK-UHFFFAOYSA-N 319.324 1.967 0 40 DDAB O=C(O)C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCOCC1 72334049 UJMVXQPWUKUBED-GFCCVEGCSA-N 312.753 1.454 0 40 DDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCC(F)(F)F 36832553 XHYODJOQDMFUMM-UHFFFAOYSA-N 317.311 1.193 0 40 DDAB C[C@](N)(Cc1ccc(I)cc1)C(=O)O 36914687 YNCJAZPOXKKAMD-JTQLQIEISA-N 305.115 1.636 0 40 DDAB CCOC(=O)[C@@H]1[C@@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1 218272447 BOZMDNILTMQQNS-KGLIPLIRSA-N 305.330 1.174 0 40 DDAB NC(=O)CN1CCC(c2nccnc2Oc2cccnc2)CC1 72361847 KKJYVNQLIJEWAV-UHFFFAOYSA-N 313.361 1.329 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)cc1 70971390 QMKWOHKOEVFICT-UHFFFAOYSA-N 319.357 1.698 0 40 DDAB Cc1cnn(C)c1C(=O)NCc1cccc(N2CCOCC2)c1 562714677 ALYIHYSCMQWGSZ-UHFFFAOYSA-N 314.389 1.495 0 40 DDAB CCN1CCN(c2cc3nncn3c(C)n2)C[C@@H]1c1ncc[nH]1 563327593 YOSOKSMHKMWNEL-GFCCVEGCSA-N 312.381 1.039 0 40 DDAB COc1ccccc1N1CCN(C[C@]2(O)CCCN(C)C2)CC1 46087404 VELZRJHNRKMMLE-SFHVURJKSA-N 319.449 1.274 0 40 DDAB CN(C)c1cnnc(N2CCN(C(=O)c3ccco3)CC2)c1 224309284 BSVTWUSANDQHIS-UHFFFAOYSA-N 301.350 1.098 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 9366435 MKAXFXKSKVRDKB-SYQHCUMBSA-N 304.390 1.727 0 40 DDAB CC(C)(C(=O)NCC(=O)O)c1ccc(Br)cc1 195529634 KEJKPTJLBYDARC-UHFFFAOYSA-N 300.152 1.928 0 40 DDAB CC(C)COCCN1CCC[C@H]1C(=O)N1CCSCC1 225720371 KFKXPNBKYVRINM-AWEZNQCLSA-N 300.468 1.699 0 40 DDAB O=C(CCCNc1ncccn1)NCc1nc2ccccc2[nH]1 44849616 YDQZPXNZDCSNDD-UHFFFAOYSA-N 310.361 1.861 0 40 DDAB CC(C)c1nnc(N2CCN(S(=O)(=O)C3CC3)CC2)s1 528118470 OAZBQUSHDIZDDH-UHFFFAOYSA-N 316.452 1.276 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)[C@H](O)c3ccccc3)C2)nn1 225427314 IMXSGZACHANJQE-GOEBONIOSA-N 313.357 1.498 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H](Oc3cnccn3)C2)cc1F 225795537 FEVGBBGXPWHTOG-GFCCVEGCSA-N 317.320 1.918 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1 44980190 OFKNTUBVIIXKNF-CYBMUJFWSA-N 318.304 1.548 0 40 DDAB O=C(Cn1cccn1)N1CC(c2nc(-c3cccs3)no2)C1 49484358 NEHOJURIVBACPZ-UHFFFAOYSA-N 315.358 1.621 0 40 DDAB CCn1nc(C)c(CNS(=O)(=O)CC[C@H]2CCCO2)c1C 96472569 PSYZVSUDOVEYDY-CYBMUJFWSA-N 315.439 1.508 0 40 DDAB Cc1cccc(CN2CCC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)n1 96246244 GMDVEZWTWOCYOE-WBVHZDCISA-N 316.449 1.374 0 40 DDAB CN(Cc1ccco1)C(=O)CNc1ccc(-n2cncn2)cc1 96453325 LCBWAWMNWWJTFV-UHFFFAOYSA-N 311.345 1.931 0 40 DDAB NCCNS(=O)(=O)/C=C/c1cccc(Br)c1 95432000 YSKFITNBIKSCEQ-QPJJXVBHSA-N 305.197 1.298 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(OC)c1)CC[C@H]2OC 96108525 FFNMTCLHABECBU-GVDBMIGSSA-N 318.417 1.876 0 40 DDAB CC(C)Cn1ncnc1CN1CCN([C@H]2CCCN(C)C2)CC1 96497122 JJWLIWLKFDZRNC-INIZCTEOSA-N 320.485 1.146 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 96181178 YUGARJLSXIBPGF-SWLSCSKDSA-N 323.462 1.726 0 40 DDAB COCCC(=O)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107002 HUDULYKORIEZTB-AWEZNQCLSA-N 320.389 1.647 0 40 DDAB Cc1nccc(CNC(=O)N2CCC(OCC3CC3)CC2)n1 96439149 JARDVYVVGXPUQH-UHFFFAOYSA-N 304.394 1.886 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccs2)C1 96227711 HQWVXZZQTGQCMN-SWLSCSKDSA-N 307.419 1.758 0 40 DDAB CSCC(=O)N(C)CCN1CCN(c2ccccc2)CC1 96414613 STDXUCWXQBJXPJ-UHFFFAOYSA-N 307.463 1.630 0 40 DDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccncc3)C[C@H]12)C1CC1 96056277 KUCGLKZZAIDUJK-YESZJQIVSA-N 315.417 1.445 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CCC(c3nc(C)cs3)CC2)C1 96456384 NUULIFSCPNKZOH-MJBXVCDLSA-N 324.446 1.943 0 40 DDAB O=C(c1cscn1)N1CCC2(CN(CC3CCOCC3)C2)C1 96046450 NYVLJTYUGLOEOO-UHFFFAOYSA-N 321.446 1.718 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)N1CCN(Cc2ccncc2)CC1 96485781 VLBVJTQIUFOBCO-HNNXBMFYSA-N 318.465 1.893 0 40 DDAB COCCC(=O)N1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 96245298 LFGFRCXIDBWSAE-HOTGVXAUSA-N 316.401 1.448 0 40 DDAB O=C1CO[C@@H]2CN(Cc3ccncc3)C[C@H]2N1Cc1ccncc1 96054270 KNCHTGXFEYBRCO-IAGOWNOFSA-N 324.384 1.088 0 40 DDAB O=C(CCNc1ncccn1)Nc1nnc([C@H]2CCCO2)s1 95472368 ZXAYDKQTQMJIRI-SECBINFHSA-N 320.378 1.620 0 40 DDAB c1cncc(CN2CCc3ncc(Cn4cccn4)n3CC2)c1 96196942 ZHWBFIBRMUBUDR-UHFFFAOYSA-N 308.389 1.581 0 40 DDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(c1ncc(F)cn1)C2 96198277 GUNAEXPAXIFHBV-CYBMUJFWSA-N 317.368 1.880 0 40 DDAB Cc1nncn1CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 96445348 DWLQVNGQXJGEPA-WDEREUQCSA-N 306.316 1.785 0 40 DDAB C[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)c2ccc(F)cc2O1 245289724 DRPNVEMVSABOIZ-DGCLKSJQSA-N 308.353 1.708 0 40 DDAB Cn1ccc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)n1 257214151 CKVBWXSMTRFZPO-UHFFFAOYSA-N 309.373 1.622 0 40 DDAB CNc1ccc(C[C@H]2CCCN(c3cc(C)nc(N)n3)C2)nn1 257255617 KIFJHDZOCAECCB-GFCCVEGCSA-N 313.409 1.658 0 40 DDAB COc1cccc(CS(=O)(=O)N[C@H]2CCCC[C@H]2CN)c1 252509567 YQNWEKDVDBQPPD-ZFWWWQNUSA-N 312.435 1.632 0 40 DDAB CNC(=O)CN1CCOC[C@H](Cc2ccc3ccoc3c2)C1 257252457 JUVFADKWLHEBOO-CQSZACIVSA-N 302.374 1.670 0 40 DDAB Cn1ccnc1CN1CCC[C@@H](Nc2ncccc2F)C1=O 543048222 CVDBVWVLGIEGMY-GFCCVEGCSA-N 303.341 1.557 0 40 DDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257249661 JJGNXWMREPXRES-NSHDSACASA-N 321.406 1.314 0 40 DDAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)c1 256049346 ZMIKNNWLFIFBMA-UHFFFAOYSA-N 315.377 1.334 0 40 DDAB COCCN1CCN(Cc2cnc([C@H]3CCCCO3)nc2)CC1 257207270 BHAVTPCLPDMRFZ-MRXNPFEDSA-N 320.437 1.482 0 40 DDAB Cc1cc(-c2nccn2C)nc(C2CCN(CCO)CC2)n1 257203168 AOXSQZFVUMNCNB-UHFFFAOYSA-N 301.394 1.357 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257331690 XTVJBIYPESDVRM-CYBMUJFWSA-N 303.387 1.868 0 40 DDAB CCN(Cc1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@H]1O 575422348 UYLBGEGUGJOUOD-QWHCGFSZSA-N 303.811 1.320 0 40 DDAB Cc1cc(CN2CCOC[C@](O)(COc3ccccc3)C2)no1 585269452 VBLRZMXCPSDEFW-KRWDZBQOSA-N 318.373 1.625 0 40 DDAB O=C(C1CC(F)(F)C1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093722 AMIODWZBFAAUEL-GFCCVEGCSA-N 314.376 1.337 0 40 DDAB O=C(C1CCC1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585275424 DSIVWRAZAJWYFB-KRWDZBQOSA-N 307.365 1.758 0 40 DDAB O=C(CN1CC[C@@](O)(COc2cccc(F)c2)C1)N1CCCC1 585268931 DYSQSDVSIASDEX-KRWDZBQOSA-N 322.380 1.264 0 40 DDAB CC(C)(C)[S@@](=O)CCNC(=O)CNC(=O)c1ccccc1 71900772 FBHABGCNWCOHHB-OAQYLSRUSA-N 310.419 1.080 0 40 DDAB CC(=O)N(C)CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 46353527 KJFHGZYTTLLQTO-ZDUSSCGKSA-N 319.409 1.146 0 40 DDAB C[C@@H]1C[C@@H]1CNC(=O)NCc1ccnc(N2CCOCC2)c1 48869690 DOLLWHJOEPOLRO-TZMCWYRMSA-N 304.394 1.373 0 40 DDAB CCCc1noc(CN2CCCN(c3ccc(C)nn3)CC2)n1 89960516 LTJDVAHWFBLITK-UHFFFAOYSA-N 316.409 1.833 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(C)n[nH]1)CC2 95410156 DWDOWZRZMLXYLD-UONOGXRCSA-N 307.394 1.039 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)c3ccccc3F)C2=O)cn1 98010391 IVLBUDKOGBPVHO-CYBMUJFWSA-N 302.309 1.095 0 40 DDAB Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2C)cn1 40222545 NHIHCZNWUMFKKR-UHFFFAOYSA-N 305.359 1.598 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 41165007 ZLOIMEZLPQMETM-VIFPVBQESA-N 319.814 1.070 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 1548448129 NBXJKFPIDZMLAM-HZPDHXFCSA-N 314.389 1.206 0 40 DDAB O=C(Cc1ccccc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166199 BBTGNAJFKJBGAR-UHFFFAOYSA-N 300.358 1.384 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 5603650 ICFOBMSVJMGIMX-OAHLLOKOSA-N 319.382 1.802 0 40 DDAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)nc(N)s2)cc1 5958364 SBQBFYJMYZHNLC-UHFFFAOYSA-N 319.342 1.515 0 40 DDAB COC(=O)c1cn(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 12183824 LXIKPGOGVXWDJS-NSHDSACASA-N 324.381 1.712 0 40 DDAB COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 14728236 LZLGHWHSUZVUFZ-JKSUJKDBSA-N 302.282 1.784 0 40 DDAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)c2cc(=O)c(OC)cn2C)cc1 16848047 JLSUWGVYRLHWNP-UHFFFAOYSA-N 316.313 1.433 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169294205 JJPNGTUFVCGBKM-JLIMGVALSA-N 323.326 1.127 0 40 DDAB Cc1cccn2c(O)c(C(=O)NCc3cccs3)c(=O)nc12 164571674 POPVQYLIRVGQPP-UHFFFAOYSA-N 315.354 1.700 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)C1(c2cccs2)CCCC1 107287303 VFPQTPZVQWNJJR-AGIUHOORSA-N 309.431 1.808 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ncccn2)CC1 22567446 FLOCHXLXPOJSGL-UHFFFAOYSA-N 304.300 1.717 0 40 DDAB Cc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1F 36395442 MFRBVWBXLMXJFY-UHFFFAOYSA-N 318.352 1.881 0 40 DDAB CCN=c1cc(C)nc(N2CCN(c3nnc(C)s3)CC2)[nH]1 1888903944 KOZHUASCOANIRA-UHFFFAOYSA-N 319.438 1.125 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 239579019 DDSRRHADHCBSDA-WWGRRREGSA-N 319.357 1.411 0 40 DDAB CCO[C@H]1CO[C@]2(CCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1565545209 BKNQHINKHHOJTP-NVXWUHKLSA-N 322.380 1.950 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)C1(F)CCC1)C2 1565550145 RCUJFLSTQLSWBN-GFCCVEGCSA-N 322.384 1.560 0 40 DDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1cc[nH]c1 2055773110 XQYUGFSEPSJFLI-OAHLLOKOSA-N 311.385 1.874 0 40 DDAB O=C(NCC1(N2CCOCC2)CCSCC1)c1ccco1 1775975939 QVEFOTMLXAPYTB-UHFFFAOYSA-N 310.419 1.607 0 40 DDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCC(F)(F)CC1 2298183907 YPYKVMOHKVGNCM-LBPRGKRZSA-N 310.348 1.951 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)Cc3nccn3C)C2)no1 75130840 LAUOQHRTEFJGBD-ZDUSSCGKSA-N 304.398 1.208 0 40 DDAB O=C(Nc1ncccn1)C1CCN([C@H]2CCCC[C@@H]2O)CC1 96485532 DVAAAVGSZRURDL-KBPBESRZSA-N 304.394 1.431 0 40 DDAB Cc1nc(Cn2cnc3ccc(Br)cc3c2=O)no1 31692400 DNNZDZZJCRUDRT-UHFFFAOYSA-N 321.134 1.899 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 40538677 OKQVLTRQXFQPNL-UHFFFAOYSA-N 311.345 1.632 0 40 DDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1cccc2cn[nH]c12 102140171 VSDFOSIHUSIMJT-NSHDSACASA-N 323.374 1.192 0 40 DDAB COc1ccc(OC)c(CNCCCSc2nnnn2C)c1 41154171 RVUVRGAZOHDYEN-UHFFFAOYSA-N 323.422 1.499 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@@H]21 32912472 UJCOQNXQXUPZJO-KWQFWETISA-N 315.778 1.499 0 40 DDAB O=C(CN1CCC[C@@H](CN2CCCCCC2)C1)N1CCOCC1 69743782 IWABRECRABNZDW-KRWDZBQOSA-N 323.481 1.433 0 40 DDAB Cc1ccsc1CNC(=O)NC[C@](C)(O)c1cnn(C)c1 76021292 YDHRUTFNTGTVMU-AWEZNQCLSA-N 308.407 1.497 0 40 DDAB CC(C)n1nc2c(cc1=O)CN(CCCN1CCCC1=O)CC2 76064998 JENVWQXXAHKIEK-UHFFFAOYSA-N 318.421 1.195 0 40 DDAB O=C(N[C@@H]1C(=O)NN[C@@H]1c1ccccc1Cl)c1ccccc1 1622778 GDBBETJGUUPPOP-KGLIPLIRSA-N 315.760 1.814 0 40 DDAB CCOc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 78789146 XPPCCRRCVRENJJ-SJORKVTESA-N 318.417 1.757 0 40 DDAB Cc1cccc2c(CCNS(=O)(=O)[C@H]3CCOC3)c[nH]c12 79015816 DVPACPJQWPLLGJ-ZDUSSCGKSA-N 308.403 1.727 0 40 DDAB CCn1cnnc1CNC(=O)N[C@](C)(CO)C1CCCCC1 72312650 WTJSOFREWZXMCH-OAHLLOKOSA-N 309.414 1.429 0 40 DDAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 4165135 IRJWGPJFGLFHMJ-UHFFFAOYSA-N 310.419 1.614 0 40 DDAB Cc1cccc(CN2CCN(CC(=O)NCC(C)C)CC2)c1 22776087 HFPYWBAHXHMAPD-UHFFFAOYSA-N 303.450 1.885 0 40 DDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCCC2)C1=O 22767396 QRJIHTQSAXHFDC-INIZCTEOSA-N 301.346 1.675 0 40 DDAB OCCN(CCO)CCOc1ccc(Br)cc1 42222138 REYPAPODROUCSL-UHFFFAOYSA-N 304.184 1.115 0 40 DDAB Cc1oncc1C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 107195766 NBZQVMOOBVQBAC-GASCZTMLSA-N 312.373 1.582 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(Br)c[nH]1 37502807 HMXDUESSFBEPMA-MRVPVSSYSA-N 300.156 1.176 0 40 DDAB O[C@@H](CNCCn1cccn1)c1cccc(Br)c1 42540679 SEUISXJZDQNXJR-ZDUSSCGKSA-N 310.195 1.969 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 56066604 DSNQHCVSSMTXSQ-UHFFFAOYSA-N 320.418 1.655 0 40 DDAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC3)cn2)no1 25662962 DBZSBVDNKAVFEY-UHFFFAOYSA-N 302.334 1.996 0 40 DDAB Cn1cc(N2CC[C@H]3CN(CC4CCOCC4)C[C@H]3C2=O)cn1 107254559 GVVYVPGOLVZFNX-GOEBONIOSA-N 318.421 1.131 0 40 DDAB COc1ccc(CCCNC(=O)NCC(=O)N2CCCC2)cc1 57389968 JOPRBYRFOBMBKA-UHFFFAOYSA-N 319.405 1.549 0 40 DDAB Cn1ccnc1[C@@H](Nc1ccc2nnnn2n1)c1ccccc1F 12506065 IUWLBJXCHDSLPJ-AWEZNQCLSA-N 324.323 1.593 0 40 DDAB O=S1(=O)CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 57839971 MWXFIQDKVHEAEA-UHFFFAOYSA-N 314.716 1.989 0 40 DDAB Cc1ccc(OCCN(C)Cc2nc(N)nc(N(C)C)n2)cc1 27373717 FOTFBJZEHCVQOZ-UHFFFAOYSA-N 316.409 1.339 0 40 DDAB COC(=O)[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 27561117 IJBKOLJXCZZFLC-ZDUSSCGKSA-N 301.346 1.451 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnc(C2CC2)o1 69819854 RPTWNBCRNJOXIE-ZIAGYGMSSA-N 304.394 1.922 0 40 DDAB COC[C@@H](C)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 58245029 QSFDCCGGQOHKTG-MRVPVSSYSA-N 305.783 1.508 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 12697015 XRVZYSDJQDEQME-YVEFUNNKSA-N 323.437 1.895 0 40 DDAB O=C(/C=C/c1ccccc1)NCc1cccnc1-n1cncn1 58200768 LVDMVLOFANAQEH-CMDGGOBGSA-N 305.341 1.992 0 40 DDAB O=C([C@H]1CCOC1)N1C[C@H]2C[C@@H](CN(Cc3cccnc3)C2)C1 107261671 IWTZUCLDOSGVHK-ULQDDVLXSA-N 315.417 1.398 0 40 DDAB O=C(NCCn1ccnc1)NC[C@@H](O)c1ccc(F)cc1F 48235133 BZHMFJQMJVLJPA-CYBMUJFWSA-N 310.304 1.194 0 40 DDAB O=C(NCCNC(=O)C(F)(F)F)c1nc2ccccc2s1 44920876 QHRQLTCSSMRSOT-UHFFFAOYSA-N 317.292 1.705 0 40 DDAB CN1C[C@H](C(=O)N(C)Cc2cnn(-c3ccccc3)c2)CC1=O 44911851 WPYWKRCZFLPJGT-CQSZACIVSA-N 312.373 1.309 0 40 DDAB CCN1C[C@@H](CN(C)C(=O)CNC(=O)OC)Oc2ccccc21 58356503 NIWHFDZVLXCAOB-GFCCVEGCSA-N 321.377 1.088 0 40 DDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCCn1ccnc1)OC2=O 100931247 DTCKJQCNKMXCHA-HOTGVXAUSA-N 305.378 1.511 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 68137291 HXDKFENGCMADBL-UHFFFAOYSA-N 311.345 1.834 0 40 DDAB CCOC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 58666333 CWMQTGLYZLZPOK-UHFFFAOYSA-N 303.362 1.317 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)CN1CC1CC1 69917388 LXSJQYAYQGDMTO-HUUCEWRRSA-N 316.405 1.305 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1cn(-c3ccccc3)nn1)CC2 69969786 OAZSZXWWJGWGHA-CYBMUJFWSA-N 309.377 1.272 0 40 DDAB CCN(C1CC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12905796 MTSRAXKIBCLRJW-UHFFFAOYSA-N 308.403 1.986 0 40 DDAB Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2 13691646 KRVOMVBABKGITK-SNVBAGLBSA-N 323.715 1.901 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 6218268 KSNOZPBVCHUNCC-INIZCTEOSA-N 319.361 1.032 0 40 DDAB C[C@@H](CNC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)N(C)C 65440304 QTEPQKMPYULDBQ-NSHDSACASA-N 317.393 1.015 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)NCCCN2CCCC2=O)c1 14099364 LTZXGEWNJJAZEK-UHFFFAOYSA-N 324.402 1.180 0 40 DDAB COC(=O)C[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(C)cc1 65540901 RXKPMUNULGPQHT-HNNXBMFYSA-N 314.341 1.663 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 65536950 KSXSDUDMCHREDX-SNVBAGLBSA-N 318.764 1.473 0 40 DDAB C[C@H](CCc1ccc(F)c(F)c1)NC(=O)CN1CCOCC1 96499659 LKTKSGQLIQJHDJ-GFCCVEGCSA-N 312.360 1.734 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2scnc2C)C1 66563079 MFHSLOJHUFIUGR-ZDUSSCGKSA-N 324.450 1.010 0 40 DDAB COC[C@@H](C)NC(=S)N1CCN(c2ccccc2O)CC1 6822282 GEOARMGBOCGTFD-GFCCVEGCSA-N 309.435 1.424 0 40 DDAB CCOC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 7061764 WQHOGLZNGXGYLI-MRXNPFEDSA-N 302.330 1.333 0 40 DDAB CCNC(=S)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7580503 MVKDFLDAQWYGSB-CYBMUJFWSA-N 312.460 1.570 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C(F)(F)F 68209826 XMGIQNPEZVJLER-LLVKDONJSA-N 309.309 1.841 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](n2cccn2)C1 69420618 QKJSAGKBQXIGAB-CQSZACIVSA-N 301.394 1.640 0 40 DDAB Cn1cnc2c1CCN(C[C@@H](O)COCc1ccccc1)C2 69490284 WZQWZVTXLTWQQF-OAHLLOKOSA-N 301.390 1.356 0 40 DDAB CCn1cc(CN2CCCN(C(=O)[C@@H](C)SC)CC2)cn1 69511746 FDHWBGRNRVHNSR-CYBMUJFWSA-N 310.467 1.689 0 40 DDAB Cn1ccnc1CN1CCN(C[C@H](O)c2ccccc2F)CC1 69565338 LGSXPTADXKVASZ-INIZCTEOSA-N 318.396 1.410 0 40 DDAB NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)C1CCCC1 69566770 SDMRVNOMOOSQQA-UHFFFAOYSA-N 316.405 1.552 0 40 DDAB CN(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1 69570142 YPMFQIQEPKPIJF-ZDUSSCGKSA-N 316.405 1.735 0 40 DDAB CC(C)Cc1nc(CN2CCC[C@H](Cn3cncn3)C2)no1 69657773 HWJRJPGVRGHVMC-ZDUSSCGKSA-N 304.398 1.772 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(C)C)c1C 8537859 LXJNXKGMUACUMA-NSHDSACASA-N 324.377 1.878 0 40 DDAB Cc1nn(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)c1Cl 71829521 LVZLZXACZARWHZ-LDYMZIIASA-N 312.801 1.266 0 40 DDAB Cc1[nH]ncc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863682 JLIJPUMIOGHIHX-INIZCTEOSA-N 314.389 1.210 0 40 DDAB Cc1cnn(C2CN(CC(=O)Nc3cc(C(C)(C)C)no3)C2)c1 71876775 AUBSKUFFNWCXTM-UHFFFAOYSA-N 317.393 1.972 0 40 DDAB NC(=O)[C@@H](CNC(=O)[C@H]1CC=CCC1)Cc1ccc(F)cc1 71826720 HTPLRFPPXUQNBV-UONOGXRCSA-N 304.365 1.942 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCC[C@H]1c1noc(C2CC2)n1 84357986 NFNVMSYGOLZPOZ-NSHDSACASA-N 300.318 1.613 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NCc1nc(-c2cccnc2)no1 72401725 FNOAIABCVNCUHA-GHMZBOCLSA-N 316.317 1.105 0 40 DDAB CCN(CCCNC(=O)c1cc(C)ccc1O)S(C)(=O)=O 72005795 MJOZFUOCQWOYDL-UHFFFAOYSA-N 314.407 1.102 0 40 DDAB CCN1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2)CC1 72015957 QNRNUXMCXVMDGJ-CYBMUJFWSA-N 309.385 1.940 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)NC[C@H]1Cc2ccccc2O1 97371681 QQWWMZJTOUTXIC-IAGOWNOFSA-N 310.397 1.937 0 40 DDAB Cn1cc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCc2cccnc2)cn1 72275737 UTJJSEVFJARAEC-DZGCQCFKSA-N 314.345 1.032 0 40 DDAB COCCCN(C)CCNC(=O)[C@H]1CCOc2ccccc21 72295857 TWSJUJNDVGZACL-HNNXBMFYSA-N 306.406 1.637 0 40 DDAB CCNC(=O)CNc1ccc(C(=O)N2CCC(C)CC2)cn1 97102993 SZFOQCNVSFJDFF-UHFFFAOYSA-N 304.394 1.502 0 40 DDAB COC(=O)[C@H]1CC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1 95919658 DRUJCAWXFFYOAX-GJZGRUSLSA-N 302.374 1.282 0 40 DDAB O=C(NC1CCN(CC2(O)CCCCC2)CC1)c1ccon1 89344602 OISQXBSPJJIFAS-UHFFFAOYSA-N 307.394 1.564 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)NCCN2CCOCC2)c(C)c1 408679536 NMJRLPINJGYPHA-HNNXBMFYSA-N 306.406 1.519 0 40 DDAB CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1ccc2c(c1)OCO2 408730518 HESJMLMWAXXSJR-CYBMUJFWSA-N 303.318 1.421 0 40 DDAB COc1ccc(-c2cc(=O)n3nc(C)c(=O)nc3s2)cc1 28527235 GJGJZHNHTOUEEE-UHFFFAOYSA-N 301.327 1.495 0 40 DDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)N(C)C)[C@H]3C2)s1 306141404 VUSCFSVLMLVXIZ-BPLDGKMQSA-N 323.462 1.775 0 40 DDAB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cscn1 521396211 QBQHTDTZMGWUBB-ZETCQYMHSA-N 301.393 1.657 0 40 DDAB COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1O 524730130 WUUZAZRMTYLIPG-LLVKDONJSA-N 315.325 1.849 0 40 DDAB biogenic Cc1cc(C)n(C[C@H](C)NC(=O)C(=O)Nc2c(C)noc2C)n1 77728126 NRASWUAOLWRCAC-VIFPVBQESA-N 319.365 1.248 0 40 DDAB CSc1ncc(CN[C@H](Cc2ccccc2)C(=O)O)cn1 218760104 MVDUDYFLWZUAIQ-CYBMUJFWSA-N 303.387 1.984 0 40 DDAB C[C@@H](Cc1ccccc1F)NC(=O)N1CCC[C@@H](OCCO)C1 187724558 GPINFFJZUMFDJM-DZGCQCFKSA-N 324.396 1.940 0 40 DDAB CC(C)(C)n1cnc(C(=O)NCc2nc(C(=O)O)cs2)n1 565032061 OXTXJCLICPQKGH-UHFFFAOYSA-N 309.351 1.118 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 72397189 HTAWPGRSPPKVGH-KWCYVHTRSA-N 324.384 1.804 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)C1CCCC1 77264058 NJNQGRXYKUBGER-ZACQAIPSSA-N 318.417 1.211 0 40 DDAB biogenic,in-vitro CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(C)cc(F)c1)C(=O)O 563073278 UHSFRPAKIRQSEJ-JOYOIKCWSA-N 303.355 1.912 0 40 DDAB CCn1ccnc1CN1CCC[C@@H]1C(=O)Nc1nccs1 79311630 HHYWWSFXDSLHTR-LLVKDONJSA-N 305.407 1.963 0 40 DDAB CC(C)(C)c1cc(NC(=O)N[C@H]2CCc3ncnn3C2)no1 131819603 LIYWLWVLJYTSQO-VIFPVBQESA-N 304.354 1.700 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2cnc(O)c3ccccc23)C1 567862612 MCVHQKYEEJSWLZ-SNVBAGLBSA-N 300.314 1.877 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC[C@H]1c1ccccc1Cl 83599954 QPUALHPPSKUKDT-LBPRGKRZSA-N 316.810 1.553 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)c2n[nH]cc2c1 525872028 ZFOKXYRGQMXNAV-CQSZACIVSA-N 314.389 1.858 0 40 DDAB CC(C)n1cnnc1[S@@](=O)CC(=O)NCc1ccc(F)cc1 86321931 SCAXFEGAXDNBGV-JOCHJYFZSA-N 324.381 1.422 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2O[C@H](C(=O)NC(C)C)C[C@@H]21 96186546 LJRBPAFNELRUQW-KKUMJFAQSA-N 307.394 1.548 0 40 DDAB Cn1nccc1CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 96426199 JLMBCJFNDPWTAM-UONOGXRCSA-N 313.357 1.611 0 40 DDAB C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 97378460 WFQFGKHTBJICGU-YPMHNXCESA-N 307.419 1.089 0 40 DDAB COCCC(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1 96208565 BRHRMCVLVRZMPP-MRXNPFEDSA-N 324.465 1.905 0 40 DDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1cccs1 95416749 AROOUAXNOCSRJE-VHSXEESVSA-N 304.437 1.932 0 40 DDAB CCOCC(=O)N1CCC2(CC1)C[C@H](OCC1CCC1)CO2 96209466 SPDMOKIZLYPHDB-HNNXBMFYSA-N 311.422 1.990 0 40 DDAB CC(C)N1CCCC[C@H]1C(=O)NCC1(O)CCSCC1 96441010 JJJOCNBERPAFJB-ZDUSSCGKSA-N 300.468 1.624 0 40 DDAB O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 96058283 PBDJRUTZRBEBLI-OWCLPIDISA-N 304.390 1.785 0 40 DDAB O=C(O)CN[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 242687966 VBINAWMSALOXDL-HDJSIYSDSA-N 306.362 1.898 0 40 DDAB NCC(=O)N1CCC2(CC1)CO[C@H](Cc1cccc(F)c1)C2 257285740 PIPDZBREEDGKQN-OAHLLOKOSA-N 306.381 1.725 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N1CC[C@H](O)[C@]2(CCCO2)C1 257337328 YSJCSBHSZUJFJT-HKUYNNGSSA-N 315.413 1.860 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2C2CCN(C)CC2)n1 257202526 AMFNUCDMUWEBSL-CQSZACIVSA-N 305.426 1.294 0 40 DDAB Cc1cc(O)nc([C@H]2CN(Cc3ccc(F)cn3)CCO2)n1 257204173 ATINHTMNXJNGOU-CYBMUJFWSA-N 304.325 1.598 0 40 DDAB Cc1cnc(C(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)cn1 257302543 SDGVVQLUYYBCSV-PWXKEOIMSA-N 300.406 1.920 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1ccnc(O)n1 257315739 VCOQDRWWESOVOQ-SNVBAGLBSA-N 305.363 1.573 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)CCc2cccs2)CC[C@@H]1O 257310953 UHIBXLNZMXFOGS-KBPBESRZSA-N 310.419 1.169 0 40 DDAB Cc1noc(C)c1COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24722071 AZEPHTFMOTTZBF-UHFFFAOYSA-N 314.297 1.874 0 40 DDAB CC(C)c1nnc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)s1 575423596 OTSHGXZXDSSPEC-NSHDSACASA-N 318.424 1.360 0 40 DDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 575406970 ZYRLDCSAZZAKIQ-CQSZACIVSA-N 304.394 1.435 0 40 DDAB CN(C)C[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 585093678 LVCCUUMHCNJRHG-CYBMUJFWSA-N 304.390 1.575 0 40 DDAB CN1CCN(C2CCN(c3ncnc4[nH]ccc34)CC2)C1=O 72276412 PTWKOHWTBGYNDN-UHFFFAOYSA-N 300.366 1.294 0 40 DDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)nn1 1065954502 LANRRBOLGXWZOR-GASCZTMLSA-N 309.373 1.388 0 40 DDAB C[C@@H](NCC(=O)N[C@H]1CCCCNC1=O)c1ccccc1Cl 51562970 NJHFGFNCWKMMFM-RISCZKNCSA-N 323.824 1.776 0 40 DDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)N1CCOCC1 1775964049 PIHONAZYYQDVFV-SPWCGHHHSA-N 321.421 1.064 0 40 DDAB biogenic,in-vitro Cc1noc(C)c1CC(=O)N1CCN(c2nccs2)C(=O)C1 1565522547 TWORCZOPVSHYJX-UHFFFAOYSA-N 320.374 1.166 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)CC(C)(C)C 40217507 NUUDNGACHNZFBK-UHFFFAOYSA-N 300.380 1.717 0 40 DDAB CS(=O)(=O)CCN(c1ncc(Br)cn1)C1CC1 89484286 YISYGSFGFQQWOR-UHFFFAOYSA-N 320.212 1.253 0 40 DDAB Cc1csc2nc(CN3CCCC4(C3)OCCO4)cc(=O)n12 90564287 AGJPGGHFTLOZQP-UHFFFAOYSA-N 321.402 1.403 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)NN1C(=O)c2ccccc2C1=O 5773934 NAMYQYMAVKXFDP-CQSZACIVSA-N 310.309 1.483 0 40 DDAB C[C@@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O 12146845 HDWPFWHTOXHISQ-MLGOLLRUSA-N 324.446 1.526 0 40 DDAB CN1C(=O)N(C)C2(CCN(C(=O)c3ccccc3F)CC2)C1=O 16849887 LAPLGQNLHXZICI-UHFFFAOYSA-N 319.336 1.324 0 40 DDAB CCOC(=O)C1=C(SC)N[C@@H](C(=O)c2ccccc2)C1=N 17720095 IAAIHXPFVZTYJM-GFCCVEGCSA-N 304.371 1.999 0 40 DDAB O=c1[nH]c(C2CCNCC2)nc2c1CN(Cc1ccccc1)CC2 19372317 JEQPAUBQWGXAFD-UHFFFAOYSA-N 324.428 1.795 0 40 DDAB CCN(CC)C(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2 100127798 WJCJPXIJESJDKO-KBPBESRZSA-N 306.406 1.962 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3cnoc3C)C2)nn1 225464211 FSCCHYNYJOGRJS-LBPRGKRZSA-N 302.334 1.765 0 40 DDAB COc1ccccc1CN(C)C(=O)CSc1nncn1C 5216551 MJGHHFOYPUYYHT-UHFFFAOYSA-N 306.391 1.574 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)C[C@H]1COc2cc(OC)ccc21 534804889 BJLAFUKMZIXALX-SMDDNHRTSA-N 318.373 1.298 0 40 DDAB CCCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C 13006748 JSJUOLMAXVDSJK-UHFFFAOYSA-N 303.406 1.254 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CC(n2cc(C3CC3)nn2)C1 585149142 FRUQDYRPHFYGLD-UHFFFAOYSA-N 300.366 1.203 0 40 DDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1O 3274921 CEYAILWCPRMLGW-UHFFFAOYSA-N 311.293 1.845 0 40 DDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@H]12 1565544872 AASOVDXLMBPLNS-HWWQOWPSSA-N 305.378 1.034 0 40 DDAB COCCNC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 5154866 FRMYFAWUNKYSSW-UHFFFAOYSA-N 319.386 1.292 0 40 DDAB CN1CCC(Nc2ccccc2)(C(=O)N=c2ccn(C)[nH]2)CC1 2055754814 YHAXZIYDUGLQNU-UHFFFAOYSA-N 313.405 1.357 0 40 DDAB Cc1cncc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)c1 2055734754 RRWULQKQBYPUIP-ZDUSSCGKSA-N 314.389 1.727 0 40 DDAB COC(=O)C1=NN=C(S(=O)(=O)N2CCCc3ccccc32)C1 1775968177 MELFFFSPSMVUNY-UHFFFAOYSA-N 321.358 1.100 0 40 DDAB CCc1cc(N2CCN(c3ccc(C#N)nc3)CC2)nc(C)n1 286134692 ASJXXFXHZNXYGA-UHFFFAOYSA-N 308.389 1.941 0 40 DDAB CN(C1CCN(Cc2ccncc2)CC1)S(=O)(=O)C1CC1 363264150 IZBUMGFSWHOIDT-UHFFFAOYSA-N 309.435 1.470 0 40 DDAB O=C(NCC[C@H](O)c1ccco1)C(=O)NCc1cccs1 77112079 ZOVWOFDOFBWYSM-NSHDSACASA-N 308.359 1.197 0 40 DDAB COc1ccc(C2=NN(C(N)=O)[C@](O)(C(F)(F)F)C2)cc1 5027631 MOAROXQKIFWWBB-LLVKDONJSA-N 303.240 1.435 0 40 DDAB CCN1C[C@@H](C(=O)NCCSCc2ccsc2)CC1=O 40073859 AQGTUNRGTPYHMY-LBPRGKRZSA-N 312.460 1.966 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc1Cl 40386585 YHPQBGXLHUSDFB-SECBINFHSA-N 319.752 1.837 0 40 DDAB CCn1cnnc1CNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 40536161 FWTKGMYAIBVCGU-LBPRGKRZSA-N 314.389 1.870 0 40 DDAB CC(C)COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 40549820 VFLIGOAKGRWRRY-GFCCVEGCSA-N 312.391 1.033 0 40 DDAB O=C(Nc1nc[nH]n1)c1cccc(I)c1 206454 ZDMOQAOUIZNKBL-UHFFFAOYSA-N 314.086 1.662 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc(C)no3)C2)nc1 96444948 ONQBWQVSSUJXOV-ZDUSSCGKSA-N 315.377 1.932 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c(=O)n1C 69971532 JQXLSFFRUYMXNN-CQSZACIVSA-N 314.389 1.585 0 40 DDAB C[C@H](O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1 69947228 CDLWVRXZQWMHHI-ZDUSSCGKSA-N 303.381 1.872 0 40 DDAB COC(=O)CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1 905267 QDKOBDHAZMXSJC-SNVBAGLBSA-N 323.374 1.982 0 40 DDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCc3ccccn3)C2)C1=O 76058893 WKJYTMJKJBAZFO-SUMWQHHRSA-N 316.405 1.276 0 40 DDAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCC(=O)N1 78775430 FWYVIKDGWSQBHG-JTQLQIEISA-N 316.279 1.822 0 40 DDAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc2nnnn2c1 79097179 NVWPSGXWNOLZFS-CQSZACIVSA-N 314.393 1.119 0 40 DDAB CN1C(=O)C[C@H](N2CCc3c([nH]c4ccc(F)cc34)C2)C1=O 79479022 WKYJQDYNRZJPEZ-AWEZNQCLSA-N 301.321 1.422 0 40 DDAB CN(C)c1ccc(C(=S)N2CCN(C(N)=S)CC2)cc1 2700726 JZQVGHKSXUJMCG-UHFFFAOYSA-N 308.476 1.289 0 40 DDAB CCCNC(=O)CNC(=O)CCc1ncc(-c2ccccc2)o1 22692476 RFJDCIOTNFHBJH-UHFFFAOYSA-N 315.373 1.917 0 40 DDAB COc1ccc(CNC(=O)c2cccc(C[S@](C)=O)c2)cn1 54730464 MDCBFMHGNDDFRP-JOCHJYFZSA-N 318.398 1.899 0 40 DDAB O=C(c1cscn1)N1CCN(C[C@H](O)c2ccccc2)CC1 71863779 LJIMVHPDEMRQJB-HNNXBMFYSA-N 317.414 1.635 0 40 DDAB Cc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1C 12321725 DKGGDKAARMWFLL-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB CN(C[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 106569169 HTBPJPORZGAPAQ-GWCFXTLKSA-N 305.346 1.117 0 40 DDAB CC(C)(CO)NC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12408300 OOVBNJLDFOZHOF-UHFFFAOYSA-N 300.318 1.719 0 40 DDAB Cc1cc(C)cc(OCCNC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1 55602143 CRPBETAPKGRKTC-ZBFHGGJFSA-N 318.417 1.961 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCOCc1ccccc1 71829485 CJOUMZBSGXJTQU-DZGCQCFKSA-N 304.390 1.706 0 40 DDAB C[C@H](CN1CCCC1=O)NC(=O)Cc1noc2ccccc12 55813177 LJVFKVDKBHWYAL-LLVKDONJSA-N 301.346 1.497 0 40 DDAB CNC(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 96500927 PBBHYWSGNIPCOK-GFCCVEGCSA-N 302.296 1.825 0 40 DDAB CCc1noc([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 107354394 NVPCWEWBWFYWCX-BONVTDFDSA-N 321.381 1.098 0 40 DDAB CNC(=O)NC(=O)CCSc1nccc(C(F)(F)F)n1 44147716 FUPDTOUUUFDTBV-UHFFFAOYSA-N 308.285 1.433 0 40 DDAB CCN1CCN(C(=O)c2cc3cccc(OC)c3oc2=O)CC1 54178062 XDRKHINZPISADP-UHFFFAOYSA-N 316.357 1.579 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 44666960 OOUMEXMYTUPGNT-UHFFFAOYSA-N 321.421 1.590 0 40 DDAB CNC(=O)[C@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 47896885 BQVDGNUIHJFKGZ-OAHLLOKOSA-N 301.346 1.437 0 40 DDAB CCNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 58060506 NIPDGJGVJCASCT-UHFFFAOYSA-N 308.359 1.508 0 40 DDAB C[C@@H](C(N)=O)N1CCC(NC(=O)CCc2ccccc2)CC1 47902321 GXPZKKQTIGSEIK-ZDUSSCGKSA-N 303.406 1.074 0 40 DDAB Cc1cc(NC(=O)CNc2cccc(-c3nnnn3C)c2)no1 58156521 WYNBHVTZQVXKQI-UHFFFAOYSA-N 313.321 1.224 0 40 DDAB CS(=O)(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 102414705 WPZSSXCARYFOHG-UHFFFAOYSA-N 308.363 1.271 0 40 DDAB CC(C)N1[C@H](Cn2cncn2)C[C@@H]2CN([C@H]3CCOC3)CC[C@@H]21 107203355 GVLZGEQQVWRTNN-QZWWFDLISA-N 319.453 1.240 0 40 DDAB COc1ccccc1N1C(=S)S[C@@H]2CS(=O)(=O)C[C@H]21 3288669 SYANJXOHYBPDLI-MWLCHTKSSA-N 315.441 1.699 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NCCc1ccco1 44889046 ABCARJOTMNGMIZ-UHFFFAOYSA-N 311.341 1.739 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCC[n+]2cc[nH]c2)cc1C 101370755 BTAKJVVUIDPSCI-UHFFFAOYSA-O 308.427 1.596 0 40 DDAB O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1cn[nH]c1 58225900 RYNQLRYKDIIDAE-UHFFFAOYSA-N 311.301 1.433 0 40 DDAB C[C@@H]1COCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44912321 BHNFMNXMZUWCFN-LLVKDONJSA-N 304.346 1.197 0 40 DDAB CC(C)(C)c1cnc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 44914047 MSPMAKJQSDBOFI-ZDUSSCGKSA-N 321.421 1.795 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc2c(c1)OCCO2 44911803 XFHPVHKEWZRDEI-CMPLNLGQSA-N 304.346 1.113 0 40 DDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@H]2CCCN2C)c1 58325992 QOAKHHLDCRUTMF-DZGCQCFKSA-N 304.390 1.867 0 40 DDAB CN(C)C(=O)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58323981 YNIAPTDZLIITAN-CQSZACIVSA-N 321.396 1.242 0 40 DDAB Cc1nnsc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 28291484 ZYVYDLNPSZYGPN-ZETCQYMHSA-N 304.331 1.818 0 40 DDAB O=S(=O)(Cc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 45357739 YUOJILVEACOVRJ-GFCCVEGCSA-N 308.359 1.830 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20452081 ZFMRALFZCJBZSF-GWCFXTLKSA-N 312.391 1.128 0 40 DDAB CNC(=O)c1cccc(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 46216035 DMLDBTQZTFTYDA-UHFFFAOYSA-N 324.340 1.146 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1 3338076 BTHSLJARFFKEMN-UHFFFAOYSA-N 308.334 1.403 0 40 DDAB COc1ccc2cc(NC(=O)N3CCNC(=O)C3)ccc2n1 171278717 NVKNMTSUEDQSIT-UHFFFAOYSA-N 300.318 1.207 0 40 DDAB CCCC[C@H](Sc1nnnn1C)C(=O)Nc1cc(C)on1 8735477 OWLSXSATJOMOHN-VIFPVBQESA-N 310.383 1.796 0 40 DDAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)O)cc2oc1=O 4046471 RIIKYORKAXVOAH-SNVBAGLBSA-N 319.313 1.378 0 40 DDAB biogenic CCN(CC)C(=O)CNC(=O)c1ccc2nc(C)c(C)nc2c1 65498368 DABXYQTXGLZFBN-UHFFFAOYSA-N 314.389 1.845 0 40 DDAB CC[C@H](C)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 14136142 GDLSKFPXAXDWSH-NSHDSACASA-N 301.346 1.689 0 40 DDAB O=c1c2ccc(F)cc2ncn1C[C@H](O)COc1ccccc1 14186134 PNKIEQYZSPWXMG-ZDUSSCGKSA-N 314.316 1.976 0 40 DDAB Cc1ccc(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1F 14140773 OGSWFIGIKSOARY-CQSZACIVSA-N 307.369 1.625 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCc2ccc(Cl)cc2)C[C@H](C)O1 14247643 WQYGRYABHFMONL-QWRGUYRKSA-N 318.826 1.784 0 40 DDAB CCOC(=O)c1cnc(SCCN2CCCCC2)nc1N 5584532 HNQQOGINPMHIGD-UHFFFAOYSA-N 310.423 1.814 0 40 DDAB O=C(Nc1cnn(CCO)c1)c1ccc(-c2ccccc2)[nH]c1=O 66381053 QVTOIOMXMRBFQV-UHFFFAOYSA-N 324.340 1.483 0 40 DDAB CC[C@H](C(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)N(C)C 96003266 RDXQYJFPTBPYJX-ZMSDIMECSA-N 317.433 1.662 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn21 306136989 QIGPBGSZTUBOKB-MUBLQREKSA-N 316.386 1.287 0 40 DDAB O=C1CC[C@@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)N1 68240118 PPPKFEQIRLDCJK-NSHDSACASA-N 300.280 1.643 0 40 DDAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)NC(N)=O)c(C)c2c1 7738116 IHCJYAJHPMSNEG-MRVPVSSYSA-N 320.301 1.490 0 40 DDAB O=C(O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 16159063 FFNJZDCULOBDBY-UHFFFAOYSA-N 303.284 1.697 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)c1 70036530 KASDOAOXWIPKKM-HNNXBMFYSA-N 315.421 1.776 0 40 DDAB CCN1CCN(C2CCN(Cc3nccn3CC)CC2)C1=O 69491632 GMMNXGQSDIWGQK-UHFFFAOYSA-N 305.426 1.625 0 40 DDAB c1ccc(-c2nnc(CN3CCC[C@H]3Cn3cncn3)o2)cc1 69484724 BAGRLXPNDWGBAX-AWEZNQCLSA-N 310.361 1.993 0 40 DDAB Cc1cc(C)c(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(=O)[nH]1 69557307 FGDLPUSYDPHYIK-UHFFFAOYSA-N 319.748 1.996 0 40 DDAB C[C@H](O)CN1CCC(CNCc2c[nH]nc2C(C)(C)C)CC1 69581326 LGQCZFSIVRECHP-ZDUSSCGKSA-N 308.470 1.890 0 40 DDAB CN(C)c1ncccc1CNC(=O)c1nc2ccccc2c(=O)[nH]1 69699120 KSAIOURFSWJCMU-UHFFFAOYSA-N 323.356 1.314 0 40 DDAB CCc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)o1 69625218 TWDAOGVPXXZLCF-HNNXBMFYSA-N 316.405 1.483 0 40 DDAB CCc1ccc([C@H](C)NC(=O)CN(CC(N)=O)C(C)C)cc1 8532809 NIIMKRLGFXKSBZ-ZDUSSCGKSA-N 305.422 1.622 0 40 DDAB COC(=O)[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(C)C 69707772 KHHYJBZRVISJGQ-CQSZACIVSA-N 316.361 1.254 0 40 DDAB Cc1nc(CN2CCCN(C(=O)c3cn[nH]c3C)CC2)cs1 69738498 XWMZAWYSEQRJTK-UHFFFAOYSA-N 319.434 1.831 0 40 DDAB CC[C@H](CCO)CNS(=O)(=O)N1CCC(C(C)(C)C)CC1 92014098 VPJZILFCZQXTGA-CYBMUJFWSA-N 320.499 1.988 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3nnnn3C3CC3)C2)n1 69840666 KVOHGMLWQWTDAN-CYBMUJFWSA-N 316.413 1.129 0 40 DDAB COc1c([C@H]2CCCN2C(=O)c2cnc(C)cn2)c(C)nn1C 72234243 HARQWWCPCAUBTL-CYBMUJFWSA-N 315.377 1.813 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 72269210 SZZQVIIYMBVWPI-SJORKVTESA-N 302.418 1.975 0 40 DDAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2cnn3ccccc23)cn1 84317595 PUYWGYLSRKAHRT-CXAGYDPISA-N 311.389 1.935 0 40 DDAB C[C@@H](CO)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 84640283 RYEVUZABZDBUJW-WDEREUQCSA-N 304.350 1.401 0 40 DDAB COC(=O)[C@@H](NC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1F 95446426 KDFQDRUHNFNLNX-AWEZNQCLSA-N 323.299 1.569 0 40 DDAB O=C(NO[C@@H]1CCCCO1)c1cc(OCC(F)F)ccn1 95994320 BHAAIZREMBGTBY-GFCCVEGCSA-N 302.277 1.914 0 40 DDAB Cc1nn(C)c(C)c1CN[C@@H]1CCN(c2ncccc2F)C1 95990141 VYSZDPBYMOIBOU-CYBMUJFWSA-N 303.385 1.940 0 40 DDAB O=C(NC[C@H](O)CO)Nc1ccccc1Cc1ccccc1 95977164 AVTTXCFPYDVKMD-HNNXBMFYSA-N 300.358 1.752 0 40 DDAB Cc1nnc([C@H](C)OC(=O)c2cccc3c2oc(=O)n3C)o1 95975570 GRWDXHYMXYLKCT-ZETCQYMHSA-N 303.274 1.741 0 40 DDAB Cc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c(=O)[nH]1 75119302 YSVCPVKIJHTXBL-UHFFFAOYSA-N 322.368 1.842 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)N1CCc2c(F)cc(F)cc2C1 89904445 ZTWUUVLPDQAQCF-SNVBAGLBSA-N 321.331 1.713 0 40 DDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccnc2ccccc12 89919995 DHISSCDUTBORLY-RYUDHWBXSA-N 318.398 1.882 0 40 DDAB CCc1nc2c(c(=O)n1C)CCN(C(=O)C1CCCCC1)CC2 306132090 KYDIBDVYMHAGJK-UHFFFAOYSA-N 317.433 1.850 0 40 DDAB C[C@@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccccc21)n1cnnn1 524734523 NZOLYWXYANPJMB-HZMBPMFUSA-N 310.361 1.909 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(-n2cncn2)cc1 71285057 UZYSTBBBALVSII-RYUDHWBXSA-N 300.318 1.563 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2cccc(Cl)c2)n1 77837442 CMXRESGYWWAYBS-UHFFFAOYSA-N 322.752 1.719 0 40 DDAB Cc1nc(CCC(=O)NC2CCC2)cc([C@H]2CCCNC2)n1 72366493 DNJFRBPJOGBVFF-ZDUSSCGKSA-N 302.422 1.853 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2ccncc2)cc1OC 42678514 LRTNZUYFPFTIQR-UHFFFAOYSA-N 322.386 1.920 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 36778966 HDOGNJVNGRDHAC-UHFFFAOYSA-N 324.358 1.841 0 40 DDAB CCn1nc(C)cc1CNC(=O)c1cc(C)nc(N(C)C)n1 226745519 JGNSTLMHSIOKNS-UHFFFAOYSA-N 302.382 1.306 0 40 DDAB C[C@H](CN)NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 529334997 NSPAHSOPVNKGSU-GFCCVEGCSA-N 301.394 1.347 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)CN2CCCC2)c1C 47905204 OIBFERQRXJGXHV-LLVKDONJSA-N 321.421 1.880 0 40 DDAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@]1(O)CCOC1 334057326 WCFQLLIAELQWGX-AWEZNQCLSA-N 322.342 1.157 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1ccco1)C2 96259623 UWGJBCIJICMNPA-UHFFFAOYSA-N 317.393 1.757 0 40 DDAB O=C(c1cnoc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96107603 QCMOEMYZDQOCIU-HOCLYGCPSA-N 315.329 1.522 0 40 DDAB Cc1cccc(NCCNS(=O)(=O)c2cn(C(C)C)cn2)n1 97229668 IHHPDODFPJQNJP-UHFFFAOYSA-N 323.422 1.558 0 40 DDAB CCNS(=O)(=O)CCNC(=O)C[C@H](C)c1ccccc1C 96407565 NVBKWGOWSLWAGR-ZDUSSCGKSA-N 312.435 1.544 0 40 DDAB CC(=O)N1CCC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 96268734 JOFMHBDGUKJVLG-QGZVFWFLSA-N 308.422 1.807 0 40 DDAB Cc1cnc([C@@H](NC(=O)NCC[S@@](C)=O)C2CC2)s1 96440358 ALRXWRGKWHOJQR-OVWNDWIMSA-N 301.437 1.580 0 40 DDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(CC1CC1)C2 96056974 JPRPYOFWGHDTEQ-DOTOQJQBSA-N 310.438 1.372 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccccn2)cn1 96186486 VXKQAPIYLYNJAF-HZPDHXFCSA-N 311.389 1.585 0 40 DDAB Cc1ncoc1C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 257256407 KLJNMJFZRUGABU-GFCCVEGCSA-N 315.377 1.840 0 40 DDAB c1csc(CN2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)n1 253595740 HYRXFLQXVVTFOM-AWEZNQCLSA-N 323.462 1.456 0 40 DDAB O=C([C@@H]1CCCOC1)N1CCC2(CC(Nc3ccncn3)C2)C1 257317788 VLDIBMHBTJXWFQ-TUBUQKNSSA-N 316.405 1.696 0 40 DDAB O=C(N[C@@H]1C[C@H]2Oc3cccnc3N[C@H]2[C@@H]1O)c1ccccc1 257290133 QBSIFHQAZYOWIP-NMFUWQPSSA-N 311.341 1.186 0 40 DDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccoc3)CC2)n1 253537447 ZIFNNZMSWYWSQH-UHFFFAOYSA-N 302.334 1.482 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 257329018 XIBBLSWRHSITHY-CYBMUJFWSA-N 301.394 1.627 0 40 DDAB O=C(/C=C/c1ccccc1)NCc1ccnc(N2CCOCC2)n1 96121117 JXXIXPHRRMOBMY-VOTSOKGWSA-N 324.384 1.643 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@H]3OC(C)(C)CC[C@H]32)CC1 585283278 CYCXODXQUSBRFT-HZPDHXFCSA-N 324.465 1.782 0 40 DDAB CO[C@H]1CN(Cc2[nH]cnc2C)C[C@@H]1CC(=O)N1CCCC1 585276417 OLZYZEDLGRCKFU-ZFWWWQNUSA-N 306.410 1.177 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 36728998 KNDNURHCNWJQDF-UKRRQHHQSA-N 324.446 1.878 0 40 DDAB OCC[C@]1(CNC2CCN(c3nccs3)CC2)CCOC1 97081084 HFDWTGYJRPLKGF-OAHLLOKOSA-N 311.451 1.491 0 40 DDAB COc1ccc(OC(F)F)c(NC(=O)CNC(=O)C2CC2)c1 58228153 ADOPGLWQMPAPJD-UHFFFAOYSA-N 314.288 1.761 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN([C@@H]1CCN(C(C)C)C1=O)CC2 89986508 MVRGXWBOPFSAPL-QLFBSQMISA-N 310.438 1.248 0 40 DDAB CCNC(=O)N1CC[C@H](NC(=O)N2CCc3ccccc3C2)C1 89977436 DLUMHDHVOMKCBT-HNNXBMFYSA-N 316.405 1.558 0 40 DDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cscn1 97086383 KPWMVBWSYSJDFZ-NSHDSACASA-N 302.359 1.464 0 40 DDAB CN1C[C@@H](C(=O)NC2CCOCC2)[C@@H]2COc3ccccc3[C@@H]21 1772595497 BOHHWQCBRPQNNG-VYDXJSESSA-N 316.401 1.593 0 40 DDAB CC(=O)N1CC(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C12 5832485 XJIKSGZTDTXLLR-WDZFZDKYSA-N 303.705 1.268 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCCc1ccccc1 5946861 LNMLOULAJQASAY-QPSCCSFWSA-N 301.342 1.390 0 40 DDAB O=C1NC(=O)[C@H]2[C@H]1[C@@H](c1ccc(O)cc1)NN2Cc1ccccc1 19171769 GOIXBCZMIORAHK-BZUAXINKSA-N 323.352 1.095 0 40 DDAB O=C(c1ccccn1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19399971 RPPYSVPIJSXMHS-CYBMUJFWSA-N 324.384 1.604 0 40 DDAB O=C1CCC[C@@H]2[C@@H](CCN2Cc2ccnc(N3CCCC3)n2)N1 19713247 HGYNTTLBPHYELT-HUUCEWRRSA-N 315.421 1.320 0 40 DDAB CC(C)(S[C@H]1CC(=O)N(c2ccccc2)C1=O)[C@H](N)C(=O)O 19927521 FXNGREPNYOKNAY-CMPLNLGQSA-N 322.386 1.242 0 40 DDAB Cc1c(Cl)c(C(=O)NC[C@H](O)COc2ccccc2)nn1C 572951226 LUWIKHLXLUKWOD-NSHDSACASA-N 323.780 1.552 0 40 DDAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 9762272 CECYXZORTLDMII-MRVPVSSYSA-N 322.213 1.839 0 40 DDAB O=S(=O)(NC1CCN(c2ccncc2Cl)CC1)C1CC1 1889098656 GVKKNOHJKKYNIA-UHFFFAOYSA-N 315.826 1.786 0 40 DDAB Cc1cnc(C)c(OC2CCN(Cc3ncnn3C)CC2)n1 2087122737 FJCBQSRVCXHJKW-UHFFFAOYSA-N 302.382 1.265 0 40 DDAB CCOCc1cncc2c1CCN(C(=O)CC1(O)CCC1)C2 1565551560 HLQSOUWYSXWBLM-UHFFFAOYSA-N 304.390 1.808 0 40 DDAB CO[C@H]1CCN(C(=O)CCc2ccc[nH]2)[C@H]1Cc1cnn(C)c1 1565551530 RTPVATUUIDOUIZ-HOTGVXAUSA-N 316.405 1.539 0 40 DDAB COC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4385900 GEABFLISLCYQKM-KFNAQCHYSA-N 320.320 1.483 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(Cl)c1 8973359 ZFMBYVBJIVVPNL-NSHDSACASA-N 322.748 1.862 0 40 DDAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1 8954594 RRLNEGTVEZRUIA-UHFFFAOYSA-N 309.325 1.933 0 40 DDAB O=C(CN1CCC(C(=O)NC2CC2)CC1)NC1CCCCC1 2086867490 RXJVTQCZALEUAT-UHFFFAOYSA-N 307.438 1.426 0 40 DDAB COC(=O)N1CCN(CCNC(=O)Nc2ccc(F)cc2)CC1 44227500 ZXEVMHXMMRRVHW-UHFFFAOYSA-N 324.356 1.331 0 40 DDAB Cc1ccc(=O)n(CC2CCN(CC3CCOCC3)CC2)n1 585501747 KKSZWMIGEFEBJG-UHFFFAOYSA-N 305.422 1.690 0 40 DDAB COC(=O)CC[C@@H](NC(=O)N1CCc2ccccc21)C(=O)OC 36569711 WDRYYWODYFRDBA-GFCCVEGCSA-N 320.345 1.254 0 40 DDAB COC(=O)/C=C(/Nc1ccc(OCCO)cc1)C(=O)NC(C)C 101533712 MRXWUYFZZKSQHT-GXDHUFHOSA-N 322.361 1.051 0 40 DDAB CCNC(=O)N[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20112775 XGUHXIOOJRLZSN-CQSZACIVSA-N 307.350 1.230 0 40 DDAB biogenic O=C(Nc1nncs1)NC1CCN(Cc2ccccn2)CC1 40553526 ZXKFAFWCHMOBRP-UHFFFAOYSA-N 318.406 1.719 0 40 DDAB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CCC(=O)N3)c2O1 40522873 NQNYBZOSXDIKMV-LBPRGKRZSA-N 318.373 1.174 0 40 DDAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccnc2)cc1 237799 BMLYDGYFMYOZSJ-VMPITWQZSA-N 304.327 1.980 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCO1 32471137 AAKKNBDCHBUUIS-VXGBXAGGSA-N 322.792 1.940 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCCN(C(C)=O)CC2)c1C 21437892 VOGLKQULUZHNLB-UHFFFAOYSA-N 305.378 1.529 0 40 DDAB O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1cccc(O)c1 236772 FLUJXBBGAJBRLX-ZDUSSCGKSA-N 304.302 1.557 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1cccs1 102916485 UWBYMWKANXTZQN-STQMWFEESA-N 318.398 1.358 0 40 DDAB O=C(COC[C@H]1CCCO1)Nc1ccc(Br)cn1 78680450 KCMKAEILTFTNEL-SNVBAGLBSA-N 315.167 1.978 0 40 DDAB CC(=O)N1CCN([C@@H]2CN(Cc3csc(C)n3)C[C@@H]2C)CC1 78896114 DKQQVUJYQDEYFU-BLLLJJGKSA-N 322.478 1.436 0 40 DDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 78899146 DZFMVOXURIRKIM-SMDDNHRTSA-N 310.419 1.240 0 40 DDAB CCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 2052479 FOUKFXNAPADHSF-UHFFFAOYSA-N 311.432 1.949 0 40 DDAB C[C@@H](CNC(=O)c1ccc(N)cc1)NC(=O)c1ccc(N)cc1 3207495 WTGVPDIDMMMCKK-NSHDSACASA-N 312.373 1.399 0 40 DDAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)N(C)C 97110933 PNEYLKYKVQVCMG-MRVPVSSYSA-N 306.332 1.801 0 40 DDAB COC1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 53886392 HVYNVLYCKVUARR-UHFFFAOYSA-N 315.373 1.424 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)o1 23305710 JDUHDDUPJBFMAY-QFYYESIMSA-N 319.361 1.486 0 40 DDAB COc1ncccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 47521284 ODDKSCOVSLPXCB-UHFFFAOYSA-N 321.358 1.849 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)NCCc2ccccc2C)C1=O 24980216 RLFZNQMZHCEGKJ-CQSZACIVSA-N 317.389 1.374 0 40 DDAB CCOc1ncccc1CNC(=O)c1ccc(-n2ccnc2)nc1 25086395 PXNWFXWTZPZBIG-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB Cc1nn(CC(=O)N2CCOCC2)c(C)c1Br 27981604 YIJBTJGVHULQES-UHFFFAOYSA-N 302.172 1.121 0 40 DDAB COc1cccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1 56004647 XAYSPMKZBKXEQQ-UHFFFAOYSA-N 302.374 1.826 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)O[C@@H]3CCOC3=O)ccc12 3271353 FRKNOUKFNOITPC-GFCCVEGCSA-N 318.281 1.339 0 40 DDAB COc1c(Cl)cc(NCC(=O)N2CCNC2=O)cc1Cl 58201138 VUXFUMCGCQMLAT-UHFFFAOYSA-N 318.160 1.966 0 40 DDAB C[C@H](CC[C@@H]1CCCO1)NC(=O)CNC(=O)c1ccccc1 58217847 NMYZIZWZIZFGBQ-HIFRSBDPSA-N 304.390 1.880 0 40 DDAB CCN1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1 48230079 FSQLOMOCCBQSBN-UHFFFAOYSA-N 307.463 1.604 0 40 DDAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)nn1C 28575217 DATJIMVBTXTGCX-UHFFFAOYSA-N 320.437 1.493 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CCNS(C)(=O)=O)o1 44916484 AYQIPVLGDVZBMQ-ZYHUDNBSSA-N 314.407 1.301 0 40 DDAB O=C1NC(=O)[C@H](Cc2nc(Cc3ccccc3Cl)no2)N1 97033733 AFCYICSYRVFMKP-VIFPVBQESA-N 306.709 1.064 0 40 DDAB Cc1ccc(C(=O)C(=O)NCCC(=O)Nc2ccccn2)cc1 58323537 FHSHKWAIZWUUOS-UHFFFAOYSA-N 311.341 1.718 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2ccccc2C)CC1 21897575 WTDBXEFCNCZHCS-UHFFFAOYSA-N 304.390 1.610 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 21109015 SLBLQWWTKRDPKT-UHFFFAOYSA-N 310.419 1.875 0 40 DDAB O=C(NCCc1nnc2n1CCCCC2)Nc1ccncc1 45385232 MEEVKCQSSRHDTC-UHFFFAOYSA-N 300.366 1.764 0 40 DDAB CCn1nc(Oc2nc(NC(C)(C)C)nc(OC)n2)ccc1=O 27679603 XGZJNJZVNKANQP-UHFFFAOYSA-N 320.353 1.460 0 40 DDAB O=C(COn1nnc2ccccc21)N1CCc2ccccc2C1 3337896 SBIWVHJNMKKJKJ-UHFFFAOYSA-N 308.341 1.445 0 40 DDAB COC(=O)c1n[nH]c(NC(=O)CSCc2cccc(C)c2)n1 48326174 XEMXUFCUMOPJNE-UHFFFAOYSA-N 320.374 1.772 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(F)cc1 9691627 HVXJRZFYHYABFU-UHFFFAOYSA-N 304.325 1.549 0 40 DDAB COCc1ccc(CN2CCC[C@@H]2C(=O)N2CCSCC2)o1 92672064 RWTUILBSVFDQTG-OAHLLOKOSA-N 324.446 1.966 0 40 DDAB COc1cc2[nH]c(O)c(C(=O)NCC(C)C)c(=O)c2cc1OC 8969239 RFYGNDVQIGPQQV-UHFFFAOYSA-N 320.345 1.637 0 40 DDAB biogenic COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1COCCO1 83979998 CEQFWCQHJWHYFY-HOCLYGCPSA-N 305.374 1.644 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 13321935 LSYHGUILFJTECA-UHFFFAOYSA-N 321.465 1.722 0 40 DDAB Cc1nccn1-c1cncc(N2CC[S@](=O)C(C)(C)C2)n1 92921060 YQASDMWQRDWBNF-OAQYLSRUSA-N 305.407 1.318 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 93048729 KYEYTAIJFKCSMQ-SECBINFHSA-N 310.297 1.513 0 40 DDAB Cc1[nH]nc2ncc(C(=O)N3CCN(CC(C)C)CC3)cc12 65494492 DCAUKVVLCHNATH-UHFFFAOYSA-N 301.394 1.680 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)Cn1cnc2ccccc2c1=O 65565290 SODOYRPGBBLKQO-LBPRGKRZSA-N 311.341 1.737 0 40 DDAB COc1ccc(NC(=O)NCCN2CCOCC2)cc1OC 65550810 OSBMYCKIHBGEIJ-UHFFFAOYSA-N 309.366 1.158 0 40 DDAB S=c1n(CN2CCN(c3ncccn3)CC2)ccn1C1CC1 14162778 VQSCJBMXFFZFCY-UHFFFAOYSA-N 316.434 1.924 0 40 DDAB CC(C)C(=O)Nc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 66214174 PXCPCNBIDJBQAF-HNNXBMFYSA-N 319.405 1.988 0 40 DDAB O=C([C@H]1CCCN1Cc1noc(C2CC2)n1)N1CCSCC1 67118122 PYZDKDBXFXSMBY-GFCCVEGCSA-N 322.434 1.487 0 40 DDAB COC[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7814450 KLGLJWDSBPTUTB-JTQLQIEISA-N 319.810 1.655 0 40 DDAB Cc1cccc([C@@H](C)CNC(=O)N2CCS(=O)(=O)CC2)c1 96421648 UDYIXNKXTONTFK-ZDUSSCGKSA-N 310.419 1.539 0 40 DDAB O=C(NCCN1CCOCC1)NCc1ccc(F)c(Cl)c1 69443389 UURAXSBVXWDGQD-UHFFFAOYSA-N 315.776 1.611 0 40 DDAB COCCSc1ccc([C@@H](C)NS(=O)(=O)N(C)C)cc1 69464067 UFNHVFCPGQNYSW-LLVKDONJSA-N 318.464 1.882 0 40 DDAB COC(=O)c1cccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1 71888992 POCJKCSBXVJQQT-GFCCVEGCSA-N 302.374 1.687 0 40 DDAB C[C@H](O)CN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 69652190 OCRRUSWZEAMUTD-ULQDDVLXSA-N 323.481 1.166 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H](n2ccnc2)C1 69662344 XGAOEYGDEIRXLW-CYBMUJFWSA-N 315.402 1.999 0 40 DDAB Cc1cc(NC(=O)c2cnn(C)c2-n2cccc2)ccc1C(N)=O 71890183 MELOKYDKLIFHDK-UHFFFAOYSA-N 323.356 1.870 0 40 DDAB CCCn1nnnc1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C 71890255 OMBUJXRTHASHQV-GFCCVEGCSA-N 324.429 1.524 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1cn3ccccc3n1)C2 69918861 GVPZVHBOGFBTLB-UHFFFAOYSA-N 322.372 1.755 0 40 DDAB CC1CCC(NC(=O)c2csc(S(N)(=O)=O)c2)CC1 8735215 UOQDNEKSCNGOFF-UHFFFAOYSA-N 302.421 1.704 0 40 DDAB Cc1nonc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 95445870 LXLRMJCXUUZYHO-UHFFFAOYSA-N 304.350 1.288 0 40 DDAB O=S1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1 95458391 YDOLXWNDBIRWJG-UHFFFAOYSA-N 309.359 1.154 0 40 DDAB Cc1ccc(CNC2(C(=O)N3CCN(C)CC3)CCCC2)nc1 95416687 HGCDIABMGPXFLU-UHFFFAOYSA-N 316.449 1.566 0 40 DDAB Cc1cccc(C[C@@H](CNC(=O)[C@H](C)n2cccn2)C(=O)O)c1 95425403 VYTOADWWEHRICB-ZFWWWQNUSA-N 315.373 1.812 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN([C@@H]2CCc3c(F)cc(F)cc32)C1 95433789 XXCRPYKMSIIDBG-QMTHXVAHSA-N 316.373 1.576 0 40 DDAB CC1CCN([C@H](C)CNC(=O)N[C@H](C)c2cnn(C)c2)CC1 73897793 IHAIYAIZLCPTME-ZIAGYGMSSA-N 307.442 1.901 0 40 DDAB CC(C)CC1(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 95964951 CRRHLXLSYMWASD-GFCCVEGCSA-N 302.440 1.689 0 40 DDAB COc1ccc(-n2ccc(C(=O)N3CC[C@@H](C(=O)O)C3)n2)cc1 95971430 QXFBLNKMRMVWBQ-LLVKDONJSA-N 315.329 1.428 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)NCCNC(C)(C)C 89291997 URXYHJZFXKNGLB-UHFFFAOYSA-N 306.406 1.945 0 40 DDAB CCOCCCNC(=O)c1cccc(CN2CCOCC2)c1 20485844 GTJTVSMRGBDKPM-UHFFFAOYSA-N 306.406 1.675 0 40 DDAB CCN1C[C@@H](C(=O)N2CCO[C@@H](c3cccs3)C2)CC1=O 89977162 YCTBCHCOHGDWDG-NWDGAFQWSA-N 308.403 1.516 0 40 DDAB COC[C@@H](C)NC(=O)CCc1nc(-c2ccc(F)cc2)no1 27472147 QTYYKVWROBGLKY-SNVBAGLBSA-N 307.325 1.959 0 40 DDAB O=C(C[C@@H]1CCCO1)Nc1cnn(CC(=O)NC2CCCC2)c1 61563524 IZYBMWJMDLVULR-AWEZNQCLSA-N 320.393 1.450 0 40 DDAB Cc1cccc(OCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 61650325 MMXSFXBEUQKGLS-GOEBONIOSA-N 304.390 1.353 0 40 DDAB CC/C=C(/C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 122175599 HOULMQJHFUXBIJ-TUJBUDNFSA-N 307.438 1.450 0 40 DDAB Cn1cc(NC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)nn1 515782453 CLTIDTALGZOJLJ-ZETCQYMHSA-N 307.276 1.389 0 40 DDAB CCOC(=O)c1nnn2c1nc(O)c1cc(OC)c(OC)cc12 33435959 DGJIOULKMCCSIC-UHFFFAOYSA-N 318.289 1.177 0 40 DDAB C[C@]1(C2CCN(Cc3ncccc3Cl)CC2)NC(=O)NC1=O 528398647 FZBZSKIHTDTUIL-OAHLLOKOSA-N 322.796 1.545 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)c1ccc2c(c1)OCCO2 120213584 CJHXDLPONMMPQZ-UHFFFAOYSA-N 311.297 1.150 0 40 DDAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccccc1 37867452 NEQHLTQAFZUKDB-FJZRYDKGSA-N 315.325 1.366 0 40 DDAB Cn1c(=O)cc(C(=O)NCCc2ccncc2)c2ccccc21 79487542 TVKOLFQOXBPLBS-UHFFFAOYSA-N 307.353 1.906 0 40 DDAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)[C@H]1CCCO1 72324378 WPZZCGSOGCXEDX-BXUZGUMPSA-N 304.346 1.668 0 40 DDAB O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCc2cc(O)ccc2C1 1570923192 UTWQBJKUSXQWCT-UHFFFAOYSA-N 321.340 1.771 0 40 DDAB CCN1C[C@H]2C3(CCNCC3)CC[C@@]2(C(=O)N2CCCC2)C1 1565504785 JHPZOBFHLSLCRA-MAUKXSAKSA-N 305.466 1.711 0 40 DDAB CNc1ccc(C[C@H]2CCCN(c3cc(N)nc(C)n3)C2)nn1 72387361 WYCAFHVQLSIUHA-GFCCVEGCSA-N 313.409 1.658 0 40 DDAB O=C(Cn1nnc2c1CCCC2)Nc1ccc2c(c1)CC(=O)N2 566444238 LCVUVVFUKPJUNZ-UHFFFAOYSA-N 311.345 1.290 0 40 DDAB CC1CCN(C(=O)C2=NNc3ccccc3S2(=O)=O)CC1 49402789 WABFZYSLQYIZSZ-UHFFFAOYSA-N 307.375 1.458 0 40 DDAB CCNC(=O)c1nc(C(=O)NCc2ccc(OC)cc2)cs1 49408669 ANVTXCGPCWXXKJ-UHFFFAOYSA-N 319.386 1.831 0 40 DDAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C 49545565 YEKAJNIWDOVMMD-SNVBAGLBSA-N 311.345 1.734 0 40 DDAB CC(C)(C)C(=O)N[C@H](C(N)=O)c1nnc(-c2ccccc2)o1 41157854 RHOWMSBPSDDSNY-SNVBAGLBSA-N 302.334 1.425 0 40 DDAB COc1cccc([C@H](C)N[C@@H](C)C(=O)N2CC[C@@](C)(O)C2)c1 195580380 WQNNRNNXKULZCS-GDZNZVCISA-N 306.406 1.718 0 40 DDAB O=C(O)[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 62119340 MRBNUPHDOKMNJF-JTQLQIEISA-N 312.163 1.925 0 40 DDAB NC(=O)c1ccccc1NC(=O)c1cc(N2CCCC2)ncn1 225535271 GNONPIHYPWIZCY-UHFFFAOYSA-N 311.345 1.428 0 40 DDAB Cn1ccnc1SCc1ccc(C(=O)Nc2ncn[nH]2)o1 47475527 SGUYXWAXHHMAPY-UHFFFAOYSA-N 304.335 1.676 0 40 DDAB O=C(c1cccc2c1OCO2)N1CCC[C@H]1CN1CCOCC1 80929474 MTMVIQAQBNFPKX-ZDUSSCGKSA-N 318.373 1.352 0 40 DDAB O=C(Cc1cccc(O)c1)NCCCc1nnc2ccccn12 80090292 PNKITVSWPKHLAY-UHFFFAOYSA-N 310.357 1.726 0 40 DDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cccnc3)C2)n1 96038918 BPIMTEJQBKHSIL-RBSFLKMASA-N 300.362 1.920 0 40 DDAB CC(C)CC(=O)N1CC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96218796 JIMOZIWSBPOZBY-CZUORRHYSA-N 305.378 1.662 0 40 DDAB CC[C@H](CO)NC(=O)c1nc2c(s1)CCCN2C(=O)C1CC1 96264699 FXUWNJBJSIKVHE-SNVBAGLBSA-N 323.418 1.333 0 40 DDAB COC1(c2noc(C(C)(C)NS(C)(=O)=O)n2)CCCC1 332393327 SASJLICDNXCTFO-UHFFFAOYSA-N 303.384 1.270 0 40 DDAB Cc1nc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)cs1 96430140 ZKVPDPHJXVWFKP-AWEZNQCLSA-N 302.359 1.814 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 96245550 GVNIZJWLNKNPGT-CALCHBBNSA-N 323.396 1.991 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@@H]2C1 96042681 RTRSCBPDOGXPNO-NUEKZKHPSA-N 321.421 1.795 0 40 DDAB COc1cc(/C=C2\NC(=O)NC2=O)c(Br)cc1O 96006174 OKZCVBVFQBIMBC-UQCOIBPSSA-N 313.107 1.344 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccccn2)[C@@H]2COC[C@H]12)C1CCC1 96185129 JLUYGXZCTJEMNQ-BZUAXINKSA-N 301.390 1.197 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96161589 HGORGSCWPKZNPD-IYBDPMFKSA-N 308.385 1.681 0 40 DDAB Cc1csc([C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)n1 97199334 CFMRLFIYCRJYAM-STQMWFEESA-N 308.407 1.082 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)C[C@@H]2CCCCO2)C1 97104200 QXQYLMPSKBTPFD-KFWWJZLASA-N 318.483 1.595 0 40 DDAB CCO[C@@H](C)c1noc(CN2CCN(Cc3ccno3)CC2)n1 96443512 LILWJPAJUFAVHS-LBPRGKRZSA-N 321.381 1.473 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccccc2)C1 92570293 WFZSKYHOGUBTIE-AWEZNQCLSA-N 310.419 1.159 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257306703 SVLLOBWWNWEVRO-GFCCVEGCSA-N 317.393 1.952 0 40 DDAB CNC(=O)NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 24664292 SONMJHLHOJUCPC-LLVKDONJSA-N 316.361 1.463 0 40 DDAB O=C1CO[C@H]2CN(Cc3cccs3)C[C@@H]2N1C1CCOCC1 257316767 VGXSPMLGXDXRES-GJZGRUSLSA-N 322.430 1.339 0 40 DDAB COc1ccc(OCCc2cc([C@H]3CNCCO3)nn2C)cc1 257260633 LDROQDBGHPFKCI-QGZVFWFLSA-N 317.389 1.711 0 40 DDAB CO[C@H](CN)CC(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 262809168 FUNLDHPXJNUWDB-UXLLHSPISA-N 306.406 1.695 0 40 DDAB CN(C)C(=O)c1cnc(N[C@H]2CCCn3ncnc32)c(Cl)c1 267826358 ZBFMLFGGWWVWFT-NSHDSACASA-N 320.784 1.975 0 40 DDAB COc1cc(CNC(=O)N2CC[C@H](O)CC(C)(C)C2)ccn1 297692053 WYNXSPHTQOQTBR-ZDUSSCGKSA-N 307.394 1.783 0 40 DDAB Cc1nn(C[C@H](O)COCc2ccco2)c(=O)c2ccccc12 42755755 GWJJAXAGRHQCCO-ZDUSSCGKSA-N 314.341 1.876 0 40 DDAB O=C(/C=C/c1ccco1)N1CC[C@H](Oc2ncc(F)cn2)C1 390829171 WUCXTQFZJHMNSH-OOPCZODUSA-N 303.293 1.902 0 40 DDAB CO[C@H](CNC(=O)C(=O)Nc1cccnc1)c1cccc(F)c1 96388628 KGWKHCGOGMZUJM-CQSZACIVSA-N 317.320 1.663 0 40 DDAB O=C(NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)C1CCC1 575402740 GGDWHMWFTLAMTN-ZDUSSCGKSA-N 320.433 1.710 0 40 DDAB COc1ncnc2c1CCN(C(=O)CC1(OC)CCC1)CC2 585110517 XMVNDMDDWHHSSA-UHFFFAOYSA-N 305.378 1.372 0 40 DDAB CC(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 25248305 GBYAFHARSGXUIA-UHFFFAOYSA-N 320.418 1.266 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NCCCOc2ccccc2F)C1 45259928 VYLSLJAVOSFMEP-LLVKDONJSA-N 309.341 1.111 0 40 DDAB O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)C1(c2cccs2)CCCC1 85469339 VFPQTPZVQWNJJR-RWMBFGLXSA-N 309.431 1.808 0 40 DDAB COC(=O)C[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCO1 83884709 QCWGXVATSUBUID-MRXNPFEDSA-N 315.373 1.636 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2F)C1 188991457 JBDISUFMJSGWFO-GFCCVEGCSA-N 320.817 1.993 0 40 DDAB Cc1nccnc1N1CC(Cn2cc(Br)cn2)C1 1889081528 WDINJCWXNZFHAH-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Cl 5018839 TWCDODRXLYJTKN-WEVVVXLNSA-N 310.693 1.326 0 40 DDAB CC(=O)N[C@H]1CCCN(C2COC2)[C@H]1Cc1cccc(F)c1 1615157656 PKTPNCDAKMRRJJ-IRXDYDNUSA-N 306.381 1.736 0 40 DDAB CC[C@@H](C)NC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12181148 OTNHCSWAGGSVQI-SECBINFHSA-N 318.377 1.617 0 40 DDAB O=C(NCc1nc(-c2ccncc2)n[nH]1)NC1CCCCC1 13565326 HWBAXGGXRCIWNJ-UHFFFAOYSA-N 300.366 1.999 0 40 DDAB COCCNC(=O)Cc1ccc(NC(=O)c2ccco2)cc1 13717121 KBONKJBKKPBRHR-UHFFFAOYSA-N 302.330 1.837 0 40 DDAB O=Cc1c(NCCN2CCOCC2)c2ccccc2[nH]c1=O 13997039 KDQLTYOPZJTGMV-UHFFFAOYSA-N 301.346 1.085 0 40 DDAB COc1c(F)c(F)c(C(=O)Nc2nnn(C)n2)c(F)c1F 14258559 GQPKNWIOKYXXLC-UHFFFAOYSA-N 305.191 1.027 0 40 DDAB CN1N[C@@H](c2cccnc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 19169961 NHKATZPGLBLILP-QLFBSQMISA-N 314.389 1.259 0 40 DDAB CC(=O)N[C@H]1CN(C)C2(CCN(CCc3ccccc3)CC2)C1 19704833 PERQPPDMTXSQFH-GOSISDBHSA-N 315.461 1.904 0 40 DDAB O=C(NC[C@H]1CCCO1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359864 HAIVNHFKMWHTEH-TZMCWYRMSA-N 303.362 1.270 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCOCC12CCCCC2 562947892 VBPZXKUGMPQXAA-UHFFFAOYSA-N 308.378 1.087 0 40 DDAB NC(=O)c1ccccc1NCC(=O)NCc1ccc(F)cc1 10841592 VGKOSPABLYYKPE-UHFFFAOYSA-N 301.321 1.653 0 40 DDAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccn2)cc1 3239898 HAUDRGZUPSLJPW-UHFFFAOYSA-N 313.313 1.836 0 40 DDAB CC1CC(C(=O)N2CCOC[C@]3(C[C@H](CN(C)C)CO3)C2)C1 1565548506 DGWMWPKMDHDKIR-BJDYSFLHSA-N 310.438 1.228 0 40 DDAB CC(C)N1CCO[C@@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@H]2C1 1565547488 RWXVBFUWWDNNBV-GXTWGEPZSA-N 316.392 1.989 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccncc1)c1ccco1 10331090 JKINMJPBIPFPCP-GFCCVEGCSA-N 302.334 1.032 0 40 DDAB Cc1cc(-c2nnc(NC(=O)c3cc(C)n(C)n3)o2)n(C)n1 13615054 UNFWLJGVFOHISL-UHFFFAOYSA-N 301.310 1.073 0 40 DDAB Cc1ccc(-c2cc(=O)n(CC(=O)N3CCOCC3)cn2)cc1 13806641 WJPJCULTVVSNOV-UHFFFAOYSA-N 313.357 1.078 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1ccncc1 13806291 XMUOTIGVVDFZBV-UHFFFAOYSA-N 306.325 1.944 0 40 DDAB COC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 5107304 AZTLEDFQYJBUGS-UHFFFAOYSA-N 307.331 1.265 0 40 DDAB O=S(=O)(NCc1cccs1)c1cnn(-c2ccccn2)c1 72238921 YQGHKLLRVCDHJZ-UHFFFAOYSA-N 320.399 1.807 0 40 DDAB CC(C)CCC[C@H](O)CCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1CO 2332243365 LOXPKHZOCSKDSQ-ZQDZILKHSA-N 302.411 1.486 0 40 DDAB O=C(CNc1cccc2c1CCCC2)N[C@@H]1CCS(=O)(=O)C1 30289659 RFTWMZGSRFWEBE-CYBMUJFWSA-N 322.430 1.281 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(Cl)c1 100056102 UPDCFPUVRJJPBA-WTTBSCSTSA-N 316.744 1.792 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 30764967 ZHQUEBPFKFBYPJ-QGZVFWFLSA-N 316.401 1.845 0 40 DDAB CNC(=O)CN(CC(=O)NC)C[C@H](c1ccccc1)C(C)C 31474848 FHKHXLWXAAGHTO-HNNXBMFYSA-N 305.422 1.220 0 40 DDAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(n2ccnc2)CC1 101866101 UKTBMKFRJNQDOQ-OAHLLOKOSA-N 318.421 1.694 0 40 DDAB COc1ccccc1CCNC(=O)CCCNC(=O)C1CC1 32699570 OZMYTWJYJXDGJH-UHFFFAOYSA-N 304.390 1.660 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)OCc2ccccc2)C1 1857794675 KBWRRUGYMQKSGW-KGLIPLIRSA-N 321.373 1.958 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1 33211881 PLDCFGTYAAFPGV-OAHLLOKOSA-N 312.373 1.613 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)c3cccs3)CCO2)n1 76044688 RKSUBNXKOAUUCE-GXSJLCMTSA-N 306.391 1.878 0 40 DDAB CC(C)C(=O)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)[C@@H](C)C1 76057688 WFOUVLYYXVLJIN-XJKSGUPXSA-N 317.433 1.768 0 40 DDAB Cc1csc(C2(NC(=O)CCS(C)(=O)=O)CCCC2)n1 78673689 FMKPTHIEIGZBCC-UHFFFAOYSA-N 316.448 1.772 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 22285597 MAJANVPKWSRLOL-HOCLYGCPSA-N 315.417 1.103 0 40 DDAB CC(C)(C)c1n[nH]c(SCn2nnc3ccccc3c2=O)n1 12255267 CEOARYDJZRCFRN-UHFFFAOYSA-N 316.390 1.957 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3cnn(C)c3)CC2)no1 97203488 IRVUMDAHVIKNAU-LBPRGKRZSA-N 317.393 1.923 0 40 DDAB O=C(Nc1ncccc1O)[C@@H]1CCCN(C(=O)c2ccco2)C1 22507207 YJNLBGSEGLOFNE-LLVKDONJSA-N 315.329 1.871 0 40 DDAB CCN(C)S(=O)(=O)c1csc(C(=O)NC(C)(C)C)c1 6680367 HLOOYYSQPUHWSP-UHFFFAOYSA-N 304.437 1.917 0 40 DDAB CN(C)c1nc(N)nc(COc2cccc3c2OC(C)(C)C3)n1 12402475 KUSZYPJUEQDSFK-UHFFFAOYSA-N 315.377 1.812 0 40 DDAB CC(=O)Nc1cccc2c1CCN(c1ccc3nnnn3n1)C2 54125419 OXHWKDSCZTVYOY-UHFFFAOYSA-N 309.333 1.040 0 40 DDAB COc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1 3021232 GPRPNZJUBMXNGB-UHFFFAOYSA-N 301.364 1.619 0 40 DDAB C[C@@]1(C(=O)N2CCC(C(=O)O)(n3cccn3)CC2)CCCCO1 72434315 ATPNHEYNHLMPNT-HNNXBMFYSA-N 321.377 1.245 0 40 DDAB CCN1CCCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 106759303 JGGJNNIPNLYQDX-CZUORRHYSA-N 304.390 1.769 0 40 DDAB O=C(CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1)NC1CC1 107567580 QWNGYYIJVKJLFK-KKUMJFAQSA-N 319.449 1.236 0 40 DDAB COc1ccc(-c2c(C)nn3c2NC(=O)[C@H](CC(=O)O)C3)cc1 35324945 PLQNBVONWBCYGT-LLVKDONJSA-N 315.329 1.910 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)cc2c1OCO2 35325428 CNYLSAZIFQIPGW-ZETCQYMHSA-N 319.342 1.937 0 40 DDAB Cn1nccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 100210020 SGXKDGHBGPMNAK-KBPBESRZSA-N 312.373 1.470 0 40 DDAB O=c1c(Cl)c(NCCCO)cnn1-c1nc2ccccc2[nH]1 3267986 ZSWZCUMPNINDEZ-UHFFFAOYSA-N 319.752 1.557 0 40 DDAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 20523072 NBRGDDVSPPXIBE-ZDUSSCGKSA-N 302.330 1.115 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)C[C@@H]2C=CCC2)cc1 58197834 XSVGAIYRJINSFC-CYBMUJFWSA-N 302.374 1.784 0 40 DDAB CNC(=O)CCN(Cc1ccccc1OC)C[C@@H]1CCCO1 58161152 POTLCINCNMAXDE-HNNXBMFYSA-N 306.406 1.812 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1csc(-c2ccccc2)n1 12615397 TXWPZIOMHJWATM-NSHDSACASA-N 322.411 1.727 0 40 DDAB COC(=O)c1ccc(NCC(=O)N2CCO[C@H](C)C2)c(C)c1 58249265 LJMDRBUYXNDLLH-GFCCVEGCSA-N 306.362 1.441 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 44908165 YFKUEFNTHSMVEG-SNVBAGLBSA-N 306.366 1.600 0 40 DDAB C[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCc2ccccc21 44912731 RFVTXEUJDIHSTH-GFCCVEGCSA-N 314.389 1.162 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)o1 44911485 VPLTZLJZEFGKBY-KGLIPLIRSA-N 308.378 1.055 0 40 DDAB COc1ccc(COCC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 44952628 OHVXIUGZLHQFFY-OAHLLOKOSA-N 320.389 1.291 0 40 DDAB COc1ccc(CN(C)c2nc3c(cnn3C)c(=O)[nH]2)cc1F 58304514 GXMILPBURILZGG-UHFFFAOYSA-N 317.324 1.441 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H]1COc2ccccc2O1 58391218 SYRMELPDIMKLAR-ZDUSSCGKSA-N 316.405 1.724 0 40 DDAB CC[C@@H]1CN(C(=O)COc2ccc(NC(C)=O)cc2)CCO1 58441600 HVJNJHUXMIPNCD-CQSZACIVSA-N 306.362 1.661 0 40 DDAB COc1ccc(CNC2=NS(=O)(=O)c3ccccc32)cn1 10261959 PGLQWYRZXMJWPH-UHFFFAOYSA-N 303.343 1.329 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C1 45491702 LWEZTNPLTFSKDD-SECBINFHSA-N 321.768 1.005 0 40 DDAB Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)c1 48302865 FOYCNCJDKZQKQV-LBPRGKRZSA-N 310.419 1.721 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1cscn1 69874900 IDMTYCXEFLKOAF-GJBLVYBDSA-N 309.435 1.726 0 40 DDAB CCc1nc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)cs1 69817732 QFTZOFJKAIQVMC-AWEZNQCLSA-N 323.462 1.919 0 40 DDAB C[C@H](c1ccccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1 69814913 QXUCZSHZWZOIQQ-VXGBXAGGSA-N 315.414 1.392 0 40 DDAB CNC(=O)COC(=O)c1cc(Br)cn1C(C)C 76914820 DJLAJDWJDDFGES-UHFFFAOYSA-N 303.156 1.734 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(OC)c2c(c1)OCCO2 65403139 LUDYNIHUGDGDKM-LBPRGKRZSA-N 321.373 1.965 0 40 DDAB Cc1cc(NC(=O)CCN2CCn3c(nc(C)c3C)C2)no1 65464753 OPLOUOMKFZYBAJ-UHFFFAOYSA-N 303.366 1.641 0 40 DDAB COC[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 65428638 OWWZJEDDIYFUSD-WCQYABFASA-N 324.377 1.168 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)NCC1(c2cccs2)CCCC1 65593065 OGLXNKBQPGFMQY-LLVKDONJSA-N 309.435 1.994 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cc2c(cc1O)CCCC2 65617351 SRIPVXUKZZZVFX-UHFFFAOYSA-N 312.373 1.739 0 40 DDAB Cc1noc(N)c1C(=O)OCC(=O)N[C@H](C)c1cccs1 9155302 IBCSQDDHKQQOSY-SSDOTTSWSA-N 309.347 1.661 0 40 DDAB CC(C)c1ccc(CCNC[C@@H](O)CN2CCOCC2)cc1 6590168 IXVMTCIAKXMVRW-GOSISDBHSA-N 306.450 1.635 0 40 DDAB COc1ccc(C(=O)Nc2ccc(NC(=O)CO)cc2)cc1 6590283 OUVZIEWRZBAKDG-UHFFFAOYSA-N 300.314 1.878 0 40 DDAB C[C@H]1CC(S(=O)(=O)N2CCC(C(=O)O)CC2)C[C@H](C)C1 4670190 HEBMTWRHIVRPRG-GHMZBOCLSA-N 303.424 1.938 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 66125975 GAAGCMROTAPNST-ZDUSSCGKSA-N 316.409 1.051 0 40 DDAB C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)NC(N)=O 4827303 BZLYPFMKQMOXGM-ZCFIWIBFSA-N 320.223 1.325 0 40 DDAB CNS(=O)(=O)c1cccc(CN[C@@H](C)CCCN(C)C)c1 96009162 LEVCDFKBEUTBJQ-ZDUSSCGKSA-N 313.467 1.415 0 40 DDAB CC(C)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 67441995 GIJZRHUMUJOYCB-UHFFFAOYSA-N 304.362 1.680 0 40 DDAB Cc1cnc(C(=O)OCc2cc(=O)n3c(C)cccc3n2)cn1 7128917 OIESLTVAPLOGDL-UHFFFAOYSA-N 310.313 1.458 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)[C@H](C)n2nc(C)cc2C)CC1 68128497 GGDRZTBAOLVFPS-CVEARBPZSA-N 321.469 1.203 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)NCc1ccccc1Cl 16045569 VBQLUSHEGKEVOW-UHFFFAOYSA-N 320.732 1.502 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(NCC(C)C)s1 8250878 HRDLVOJSCWSFRH-SSDOTTSWSA-N 317.440 1.542 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(C(=O)NC)CCC1 69491886 BVORPEBUIFDMAD-KBPBESRZSA-N 307.438 1.378 0 40 DDAB COc1cc2c(cc1CN[C@H]1CCc3ncnn3C1)O[C@@H](C)C2 69488871 VCGCNMHYKBRWPC-FZMZJTMJSA-N 314.389 1.715 0 40 DDAB O=C(N[C@@H]1CCN(c2ccccc2)C1)N[C@@H]1CCCCNC1=O 71882520 LMBZOZUEURVWOM-UKRRQHHQSA-N 316.405 1.233 0 40 DDAB Cc1csc(N2CCCN(CCS(C)(=O)=O)CC2)n1 71824903 RKTCYSOEACQQPG-UHFFFAOYSA-N 303.453 1.008 0 40 DDAB O=C(NCC1(Cc2ccccc2)CCC1)N[C@H]1CCCNC1=O 96462899 UOTFIBSIXCHIEJ-HNNXBMFYSA-N 315.417 1.977 0 40 DDAB CCCCn1nnnc1CN1CCN(c2nccs2)[C@H](C)C1 95351822 FJVCBVXRGYXIGX-GFCCVEGCSA-N 321.454 1.640 0 40 DDAB O=C(NC1CC1)c1nc2c(s1)C[C@H](NC(=O)C1CC1)CC2 306130093 IVZULPMUGQBAFD-SNVBAGLBSA-N 305.403 1.419 0 40 DDAB Cc1nc(C[C@@H]2CCCN(c3nccc(N(C)C)n3)C2)no1 97047795 DWBSETNWLUYGCG-LBPRGKRZSA-N 302.382 1.693 0 40 DDAB Cn1cc([C@@H]2[C@H](C(=O)O)CC(=O)N2CCc2cccnc2)cn1 72275735 UTJJSEVFJARAEC-UKRRQHHQSA-N 314.345 1.032 0 40 DDAB O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1n[nH]c(=O)[nH]1 72282460 UFEPIESBSSXLPF-MRVPVSSYSA-N 313.144 1.822 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)sc1C 72297352 YSPLJSWUBCRJNF-NEPJUHHUSA-N 307.419 1.745 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc(-c3cnco3)cc1)CC2 97198949 JANFRPRKJDHELL-CQSZACIVSA-N 323.356 1.986 0 40 DDAB CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)CO 97163467 BVHUPDNBKWMXME-UHFFFAOYSA-N 314.451 1.530 0 40 DDAB C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)Nc1ccccc1 72311605 FHIGQNNVRLJTAF-LBPRGKRZSA-N 303.362 1.142 0 40 DDAB O=C(c1ccon1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446074 VIIVSELILSUHFU-UHFFFAOYSA-N 311.345 1.509 0 40 DDAB CCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccon3)C2)C1=O 95961662 ABSQCXNAFHRBHW-NHYWBVRUSA-N 306.366 1.217 0 40 DDAB CCOc1ccc2c(c1)C=C(C(=O)NC[C@@H](C)C(=O)O)CO2 95970619 XSZRWJVZNLHKBR-SNVBAGLBSA-N 305.330 1.698 0 40 DDAB CCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccccn1 89282497 YJJWTEQURKIQOH-CYBMUJFWSA-N 313.405 1.606 0 40 DDAB O=C(NCC(F)(F)F)N[C@@H]1CCN(c2ccccc2F)C1=O 75137538 YAQMVURZRUSPND-SECBINFHSA-N 319.258 1.793 0 40 DDAB O=C1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C(=O)N1 89755968 KUILKRLLCXSIBI-VIFPVBQESA-N 300.236 1.240 0 40 DDAB O=C(Nc1ccc(F)cc1NC1CC1)[C@@H]1CCS(=O)(=O)C1 89769668 JSQXNUQMORRBSH-SECBINFHSA-N 312.366 1.773 0 40 DDAB O=C(CCOc1ccc(Cl)cc1)N1CCN(CCO)CC1 75572484 CYPIEHBROZAZSV-UHFFFAOYSA-N 312.797 1.245 0 40 DDAB Cc1nn(C)c(Cl)c1CN(C)CC1CCN(CCO)CC1 75605651 IWJJTKKCFBDBFV-UHFFFAOYSA-N 314.861 1.518 0 40 DDAB Cc1ccccc1CN1CCC(C(=O)N2CCN(C)CC2)CC1 39762845 RPYGCSHBUUSDPJ-UHFFFAOYSA-N 315.461 1.981 0 40 DDAB O=C(NS(=O)(=O)CC(F)(F)F)[C@@H]1CC1(Cl)Cl 408490277 ZZOLYRZHPMUEPD-VKHMYHEASA-N 300.085 1.189 0 40 DDAB CO[C@@](C)(C(=O)NCc1cccc(CO)n1)c1ccccc1F 521394413 OWWBRCCVPHTLFU-QGZVFWFLSA-N 318.348 1.891 0 40 DDAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ncccn1 35655084 QBKVHANYMMEZFL-UHFFFAOYSA-N 305.359 1.420 0 40 DDAB CC[C@H]1CN(C(=O)CN2CCC[C@@H]2c2noc(C)n2)CCO1 75573111 LXIMZENXPSRXHJ-QWHCGFSZSA-N 308.382 1.152 0 40 DDAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1cccnc1 70967523 DLYHETXPPAKIPG-INIZCTEOSA-N 318.398 1.658 0 40 DDAB Cc1cc(COC(=O)c2ccccc2NS(C)(=O)=O)on1 32842578 HKSJEAFRIULGNS-UHFFFAOYSA-N 310.331 1.712 0 40 DDAB O=C(CN1CCC[C@@H]1COc1ccccc1)NC[C@@H]1CCCO1 79100075 SKVLEFCXHCVSAW-WBVHZDCISA-N 318.417 1.825 0 40 DDAB CC1=CCC[C@@H](C)[C@@H]1CNCCS(=O)(=O)N1CCOCC1 134162982 CPQYWRWITLBHBF-HUUCEWRRSA-N 316.467 1.230 0 40 DDAB CN1C(=O)CCc2cc(S(=O)(=O)Nc3nccs3)ccc21 74934988 OUMVJOVAYYLFLO-UHFFFAOYSA-N 323.399 1.853 0 40 DDAB O=S(=O)(Nc1nc2ncccn2n1)c1ccccc1Cl 73840497 NFJQUTZGUBDXEQ-UHFFFAOYSA-N 309.738 1.579 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cc(-c3cc[nH]c3)n[nH]2)CC1 225586409 HDCGAVLIMBRUFS-UHFFFAOYSA-N 317.349 1.319 0 40 DDAB O=C(NCCN1C(=O)CCC1=O)N1CCc2ccc(F)cc2C1 136291468 MWEQEYJTQIKTPW-UHFFFAOYSA-N 319.336 1.042 0 40 DDAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CCCOC1 88237097 QZHVFJWLAKLNQG-ZWNOBZJWSA-N 324.327 1.613 0 40 DDAB CCN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225423637 YTRIMGOTXHTSNL-UHFFFAOYSA-N 311.451 1.279 0 40 DDAB biogenic,in-vitro COC(=O)c1cc(Br)cnc1O[C@@H]1CCN(C)C1 143215926 SHNLKVGYTAHNAV-SECBINFHSA-N 315.167 1.714 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(Cc1nc(C)cs1)CC2 96207712 QHRGJMRHTNAPAE-GFCCVEGCSA-N 309.435 1.426 0 40 DDAB C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1c(F)cccc1F 97095153 ABGOTYSKSOITDU-GHMZBOCLSA-N 314.332 1.646 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 97103104 HKQMTNKIUBCSHE-VIFPVBQESA-N 323.340 1.618 0 40 DDAB C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3nccs3)ncn2)C1 334020083 CNAQJWMQDYMXJG-NWDGAFQWSA-N 319.434 1.777 0 40 DDAB Cc1noc(C)c1CN1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1 96248888 SWGGFVWWYBVEKS-CABCVRRESA-N 315.377 1.171 0 40 DDAB O=C(c1cccnc1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96239211 UEIMTUDQNAHCQK-KRWDZBQOSA-N 323.356 1.141 0 40 DDAB CNC(=O)C[C@H]1C[C@H]2CN(Cc3cccc(OC)c3)C[C@H]2O1 96220323 YNBGLJQYORJMSP-NUEKZKHPSA-N 304.390 1.421 0 40 DDAB COC[C@@H]1COCCC12CCN(C(=O)c1cnn(C)c1)CC2 96106381 FSBBDUMHKYOBKP-CQSZACIVSA-N 307.394 1.325 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NC[C@H]1Cc2ccccc21 97096124 GEAZHPNDTLLAML-CQSZACIVSA-N 324.380 1.881 0 40 DDAB O=C(C[C@H]1CN(C2CCCC2)Cc2ccnn21)N1CCOCC1 247840871 FKGQGGKQGRRDRT-INIZCTEOSA-N 318.421 1.431 0 40 DDAB CN1CC2(C1)OCC[C@H]2CCNS(=O)(=O)c1ccccc1 248085202 RIEHAQDPBOJRSX-CYBMUJFWSA-N 310.419 1.076 0 40 DDAB C[C@@H]1CSCCN(CC(O)CN2CCSC[C@@H](C)C2)C1 248759380 XMWWNFXRYIHHKE-KBPBESRZSA-N 318.552 1.717 0 40 DDAB CCc1cc(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)no1 257280919 OMYJWPOHFJBMFF-ZDUSSCGKSA-N 302.334 1.428 0 40 DDAB Cn1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc21 257251583 JRIYBBDIBHBLTP-WMZOPIPTSA-N 314.385 1.934 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCO2)c1 257279425 OGNQHGKBINWLGW-CYBMUJFWSA-N 300.362 1.240 0 40 DDAB CC(C)(C(=O)N[C@H]1CCCN(c2ccccn2)C1)n1cncn1 257242770 IEBLBJARJWSVRS-ZDUSSCGKSA-N 314.393 1.193 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 252584639 BWEHYKCFRFXMLF-MJBXVCDLSA-N 317.437 1.572 0 40 DDAB CC(=O)NCc1cnc([C@H]2CN(Cc3cncs3)CCO2)[nH]1 257275360 NOZQKOLMFAQJLO-CYBMUJFWSA-N 321.406 1.076 0 40 DDAB C[C@@]1(O)CCN(C(=O)c2cnccn2)C[C@H]1Oc1ccccc1 257204649 AVSPAOZGXDTSGJ-NVXWUHKLSA-N 313.357 1.521 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 257222828 DUVBVDCADNLRSN-CYBMUJFWSA-N 313.405 1.738 0 40 DDAB COCCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(C)=O 257275629 NQEGXIYSVKLXJP-HOCLYGCPSA-N 312.410 1.041 0 40 DDAB Cc1c(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)cnn1C 257339088 ZADXKBSREZGNPI-MRXNPFEDSA-N 315.421 1.763 0 40 DDAB C[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)[C@H]1CN(C)CCO1 253370233 OATBAUVGGWNIJA-AEGPPILISA-N 321.425 1.365 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@@H]1c1cc(N)nc(C)n1 257280836 OMPGCKVEDLMHRF-CYBMUJFWSA-N 313.361 1.748 0 40 DDAB CSCC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575405412 ZAIINBLBMZJILC-GFCCVEGCSA-N 310.444 1.910 0 40 DDAB Cn1cc(N2C[C@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)cn1 585101552 ANWCFXSEIWBMTD-MRXNPFEDSA-N 313.361 1.017 0 40 DDAB O=C1N(c2ncccn2)C[C@]12CCCN(C[C@@H]1CCCO1)C2 585099376 HSKNBQARQBMTMN-XJKSGUPXSA-N 302.378 1.084 0 40 DDAB Cc1ccccc1N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 65565141 MRLIENDCVBVYGF-CQSZACIVSA-N 324.446 1.513 0 40 DDAB NC(=O)CCCNC(=O)COc1cccc(C(F)(F)F)c1 42928468 KXVJJNPJOSASQQ-UHFFFAOYSA-N 304.268 1.466 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3ccc(Cl)s3)C2=O)cn1 72287348 FSPIPSUPZJKJPI-VIFPVBQESA-N 324.793 1.670 0 40 DDAB O=C(NC[C@H](O)c1ccccc1F)Nc1nc2ccccn2n1 96004070 GFDPDSAPWVUJFF-LBPRGKRZSA-N 315.308 1.724 0 40 DDAB CNC(=O)CNC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 97055340 YADWCZPQIUUMGV-VIFPVBQESA-N 317.311 1.682 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@H]1Cc2cc(Cl)ccc2O1 40486254 AUHSGRXEMAKCEO-GFCCVEGCSA-N 318.764 1.498 0 40 DDAB COc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1 12114795 KAASAKRNBRBWTB-UHFFFAOYSA-N 309.329 1.805 0 40 DDAB O=C(c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 12176243 PYUCSZAPNWGRSV-CABCVRRESA-N 323.414 1.495 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 15348756 JUVIYXHFNTUPSD-UHFFFAOYSA-N 304.371 1.871 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cnccn1 15999567 QRWYJGXNTCWMEP-UHFFFAOYSA-N 313.285 1.725 0 40 DDAB Cc1nc(CC(=O)N2CC(C(=O)N3CCCCC3)C2)cs1 19747443 BJZBZCKKQMJYJE-UHFFFAOYSA-N 307.419 1.465 0 40 DDAB CC(C)(C)OC(=O)N1[C@H]2C[C@H]([C@@H]3OC(C)(C)O[C@H]32)[C@@H]1C(=O)O 169805692 LGSMWHUTRPDMIY-HHKYUTTNSA-N 313.350 1.599 0 40 DDAB O=C(NCCS(=O)(=O)NCc1ccccc1)C1[C@@H]2CCC[C@@H]12 102694648 ADGPMWDVKKKHMV-ZIAGYGMSSA-N 322.430 1.268 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 20027759 HCTDLSSJOFVDIP-JTQLQIEISA-N 300.314 1.465 0 40 DDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NCc1cccs1 5088858 NBKWKGWQAKOUNR-UHFFFAOYSA-N 317.349 1.857 0 40 DDAB CCc1c(C)ncnc1N1CCN(c2nccn3nccc23)CC1 1888865618 DOGXYTJFTBJIDK-UHFFFAOYSA-N 323.404 1.717 0 40 DDAB Cc1cccnc1CN1CCO[C@]2(CCCCN(C)C2=O)C1 2037978485 YOQIVPYVNJHQSN-QGZVFWFLSA-N 303.406 1.603 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NCCCc1cnoc1 245053394 OSCIUONTBZJJEI-UHFFFAOYSA-N 301.302 1.332 0 40 DDAB CCSCC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCC(C)CC1 2056225172 FEQPCWDJPBITOL-XJKSGUPXSA-N 310.463 1.989 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1noc2ccccc12 1614932952 CECJZWYOCWZHGW-YSVLISHTSA-N 316.357 1.775 0 40 DDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 1422610 LMDSSLFOHMBAEK-UHFFFAOYSA-N 323.374 1.609 0 40 DDAB CCc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 2694341 AUBSNJKDTZSSCH-UHFFFAOYSA-N 311.345 1.331 0 40 DDAB COc1ccc(C(=O)N2CC(Nc3ccncn3)C2)cc1F 606440563 BMRXIMZDBYTIDH-UHFFFAOYSA-N 302.309 1.561 0 40 DDAB CCOc1cc2c(cc1NC(=O)[C@H]1CCC(=O)N1)O[C@H](C)C2 73005306 VDDZYWIYDCDSOI-MWLCHTKSSA-N 304.346 1.626 0 40 DDAB CCc1ccccc1OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40457027 IBUHUZSDEUOMST-CYBMUJFWSA-N 311.403 1.273 0 40 DDAB Cc1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(C)nc2c1 31613332 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CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C 2701939 JTFJCGPHFHPQMS-JTQLQIEISA-N 300.355 1.065 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)N1C[C@@H](C(=O)O)c2ccccc21 78002124 DBECSKXBMGXKDX-SNVBAGLBSA-N 307.331 1.095 0 40 DDAB C[C@H](c1ccc(N2Cc3ccccc3C2=O)cc1)[C@@H](O)C(N)=O 1576443 SJPGXMIEMGQHAY-BDJLRTHQSA-N 310.353 1.797 0 40 DDAB COC(=O)c1cc(I)c(O)c(OC)c1 2553994 WMPWEALBPHHIGS-UHFFFAOYSA-N 308.071 1.792 0 40 DDAB COc1cc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc(OC)c1 42042510 WTQFQSHEVYRXIJ-GFCCVEGCSA-N 321.377 1.111 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCC(c2nc(C)no2)CC1 104147628 GHAVFBNQISUTAG-CQSZACIVSA-N 306.410 1.958 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 6725601 DHPRZEQLXRWFOD-XWUBHJNHSA-N 321.329 1.521 0 40 DDAB Cc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1 7215815 VHQXPVQHQOBOBA-UHFFFAOYSA-N 310.375 1.957 0 40 DDAB COc1ccc(F)cc1CN1C(=O)N[C@]2(CCSC2)C1=O 24298511 FSBFRSMVSKAUHC-AWEZNQCLSA-N 310.350 1.762 0 40 DDAB CO[C@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 55048836 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CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 57983189 SFPYUJIXWBACKN-LLVKDONJSA-N 319.361 1.795 0 40 DDAB NC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 10044254 LMOMKBUSHCWWIL-ZDUSSCGKSA-N 324.789 1.845 0 40 DDAB COC(=O)[C@H]1CCCCN1CC(=O)N1c2ccccc2C[C@@H]1C 27560612 FPDCFNULASQYFX-XJKSGUPXSA-N 316.401 1.992 0 40 DDAB CCN1C(=O)C[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1=O 44827923 VROUZJLTTMDBDV-CYBMUJFWSA-N 301.346 1.373 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)nc2n1 44969916 LHZUHUGWXQOULC-QWHCGFSZSA-N 315.377 1.525 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1ccc(-n2cccn2)cc1 44970538 RKHUDYMPKPVBOR-ZDUSSCGKSA-N 300.362 1.803 0 40 DDAB Cc1ccc(C(=O)NCCCNC(=O)c2cccc(O)c2)cn1 58329198 YPUNIZDCZSUYJY-UHFFFAOYSA-N 313.357 1.646 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)COCc1ccco1 45821652 DQBIRQNBNQEFDY-JTQLQIEISA-N 306.274 1.267 0 40 DDAB C[C@@H](NC(=O)CN1CCSC1=O)c1nnc2n1CCCCC2 29255241 IGRJURXKSIAKAG-SNVBAGLBSA-N 323.422 1.351 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 48316078 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CC(C)(C)NC(=O)COC(=O)c1cc2ccccc2oc1=O 6602777 CIEZLEUUIAHJGV-UHFFFAOYSA-N 303.314 1.865 0 40 DDAB CC(C)n1nnnc1Sc1ncc(Br)cn1 67348202 GQZCMZRIUUPUFB-UHFFFAOYSA-N 301.173 1.958 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C(=O)c1cc(F)ccc1O 95409019 ODBMCZFKSCUMDP-UHFFFAOYSA-N 308.231 1.282 0 40 DDAB COCc1noc([C@@H]2CCCCN2C(=O)c2cnccn2)n1 65286416 JDLPJNXCRZZUKN-NSHDSACASA-N 303.322 1.373 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2ccc(OC)c(F)c2)CC1 70006436 AAJKIURURJBFRT-AWEZNQCLSA-N 324.396 1.292 0 40 DDAB Cc1cccc(NC2CCN(CC(=O)N3CCOCC3)CC2)c1 96421207 RGQBGWUZJXHYTN-UHFFFAOYSA-N 317.433 1.730 0 40 DDAB CCCN1CCC(NS(=O)(=O)N2CCC[C@@H](C)C2)CC1 69487287 UYBYGPYSRAAQLU-CYBMUJFWSA-N 303.472 1.427 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](Cn2cccn2)C1 69436963 MHWYUGGSTGLMBP-RYUDHWBXSA-N 321.406 1.068 0 40 DDAB O=C(CCN1CCO[C@H](Cn2cccn2)C1)NC1CCCC1 69445348 XQJAJMRZEONWEQ-HNNXBMFYSA-N 306.410 1.033 0 40 DDAB Cc1ccccc1C1(CNC(=O)CCN2C(=O)CCC2=O)CC1 69518550 IXMTYRWOVJIVFJ-UHFFFAOYSA-N 314.385 1.682 0 40 DDAB CCCc1noc(CCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1 71829502 RFUSXDQJHVOXIW-NWDGAFQWSA-N 322.409 1.457 0 40 DDAB CCc1noc(CN(C)C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)n1 69768921 DYSRTBBAGQPDBM-BETUJISGSA-N 323.441 1.751 0 40 DDAB O=C(NCc1cccs1)c1nn(-c2ccccc2)nc1CO 8613310 BJPPRRACJNZYKC-UHFFFAOYSA-N 314.370 1.751 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)n[nH]1 8611085 RFERLNVOVHRAAF-UHFFFAOYSA-N 323.374 1.373 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cn[nH]c1 69811566 AVKMPBPURXMKMW-UHFFFAOYSA-N 311.345 1.876 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCc2cc(=O)n3ccccc3n2)c1 69810172 SHAJOGJKIOYTQB-ZIAGYGMSSA-N 311.389 1.939 0 40 DDAB Cn1cnnc1CCNC(=O)c1ccc(Br)s1 69950283 XIUOAWWGYRBYSE-UHFFFAOYSA-N 315.196 1.612 0 40 DDAB CN1CC(=O)N(CCCC(=O)N2CC[C@@H]2c2ccccc2)C1=O 71822694 MNCYHPLFGCSTMP-CQSZACIVSA-N 315.373 1.634 0 40 DDAB CCOC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 95435565 YWESHJAOEFFGII-GJZGRUSLSA-N 318.421 1.728 0 40 DDAB COc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1Br 71900725 SOBYUMFDBXSSKF-ZCFIWIBFSA-N 316.155 1.453 0 40 DDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCOCCO 71907453 QMJJXEUIJQQLRN-LBPRGKRZSA-N 301.408 1.092 0 40 DDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)NCCc1cccs1 9613782 ZJQBFRUFLNICEA-QMMMGPOBSA-N 323.447 1.542 0 40 DDAB O=C(NCc1ccco1)C1CCN([C@H]2CCCC[C@H]2O)CC1 95976596 NPDFQCZTMNWXNB-JKSUJKDBSA-N 306.406 1.911 0 40 DDAB NC(=O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 95980454 CZBJFIFWIVVQKQ-UHFFFAOYSA-N 316.232 1.639 0 40 DDAB Cc1cn2c(=O)cc(CN3C[C@H](O)CC(F)(F)C3)nc2s1 1548453364 KNXWNVZBCYWBDW-SNVBAGLBSA-N 315.345 1.266 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cn(-c3ccccc3)nn1)C2 65466125 RYJQSSNKNAKZKB-ZDUSSCGKSA-N 322.372 1.517 0 40 DDAB C[C@@H]1Cc2n[nH]cc2CN(Cc2cc(=O)n3ccccc3n2)C1 1560143588 FZXKJCYVAOLNGU-GFCCVEGCSA-N 309.373 1.612 0 40 DDAB CCC1(C)CN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)C1 1551549363 GJXZQMFHDZQUFG-OLZOCXBDSA-N 305.344 1.970 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2cc[nH]n2)C1 517696659 GDMUAZAMCQTAKA-OAHLLOKOSA-N 312.417 1.933 0 40 DDAB CC(=O)c1ccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 217392925 VKJFLKKGSPNBDC-UHFFFAOYSA-N 316.313 1.487 0 40 DDAB CCOC(=O)c1cnc(N[C@H](C)c2nccc(N)n2)nc1C 521398403 DUVGOFPGNXLFLD-SECBINFHSA-N 302.338 1.507 0 40 DDAB Cc1cc(C)c(C(=O)NCCc2nnc3ccccn23)c(O)n1 524734500 LBKILKLATZUJIK-UHFFFAOYSA-N 311.345 1.419 0 40 DDAB NC(=O)c1cccc(CN[C@@]2(CO)COc3ccccc3C2)c1 527769123 JMFDSYJHKHZYMY-SFHVURJKSA-N 312.369 1.241 0 40 DDAB O=C1CCSC[C@H](C(=O)NCCc2c[nH]c3ccccc23)N1 75171178 MZTSKHHUKJAQIM-CQSZACIVSA-N 317.414 1.448 0 40 DDAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H](C)C(=O)NC1CCCC1 73051567 ZMQDPLKSLCKGLE-GXFFZTMASA-N 320.437 1.769 0 40 DDAB C[C@H](NC(=O)[C@@H]1CSCN1)c1cn(-c2ccccc2)nn1 122639245 OVGIRPQCLYODPN-GWCFXTLKSA-N 303.391 1.107 0 40 DDAB CCOC(=O)[C@H](C)n1cc(I)c(C)n1 72339414 CMYCLRPEQOKYQY-ZETCQYMHSA-N 308.119 1.920 0 40 DDAB COC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(C)cc1 218416876 SHOQIVRAYXHNLG-SGMGOOAPSA-N 313.444 1.424 0 40 DDAB NS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCCO3)cc1 35287240 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O=C(O)[C@@H](Cc1cccc(Br)c1)N1CCOCC1 41566911 XLTKVHOCXYZDEM-GFCCVEGCSA-N 314.179 1.777 0 40 DDAB Cn1nc(C(=O)NC2C[C@@H]3CC4C[C@@H](C2)N43)c2cccc(O)c21 1570003131 AHKLTPXHGXRIIG-BFUDSRACSA-N 312.373 1.386 0 40 DDAB Cc1ccc(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5874044 NBUYSRKMACXQRP-UHFFFAOYSA-N 316.357 1.903 0 40 DDAB CCCc1nnc(SCC(=O)NCc2ccccc2)n1N 5548750 NDBZRZDVIBUQJQ-UHFFFAOYSA-N 305.407 1.353 0 40 DDAB O=C(COc1ccc(F)cc1)Oc1ccc(-n2cnnn2)cc1 14790900 XUHWGPBQBFGWBJ-UHFFFAOYSA-N 314.276 1.786 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(O)cc1 165730668 UBSXWRKITMWVBO-FCIDVOKBSA-N 314.341 1.362 0 40 DDAB CC[C@@H]1c2ccsc2CCN1CC(=O)N1CCNC(=O)C1 11473419 BSHBWMBHWLRHJH-GFCCVEGCSA-N 307.419 1.016 0 40 DDAB c1cncc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 1889139869 RWENSDSMYKHWOX-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB CC(C)N(C(=O)[C@H](C)SCc1nc(N)nc(N)n1)C(C)C 15495134 SRDJBQZNYJCNGR-VIFPVBQESA-N 312.443 1.303 0 40 DDAB CCn1cc(Br)c(C(=O)N[C@H](C)[C@H]2CCCO2)n1 2780172 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320.437 1.721 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(Cl)c1 76020444 BWEXMTVNVGMRCU-ZWNOBZJWSA-N 310.781 1.946 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1 1457039 QRNXVMUWLNDZKY-UHFFFAOYSA-N 322.361 1.618 0 40 DDAB CCOC(=O)C(=O)N[C@H]1CC=CC[C@H]1c1ccc2c(c1)OCO2 1711687 IJDUZLOVTWEQOA-STQMWFEESA-N 317.341 1.897 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1 78889097 BNLASEBHXLRSAZ-VXGBXAGGSA-N 308.382 1.397 0 40 DDAB CN(CCNS(C)(=O)=O)C(=O)C(C)(C)c1ccccc1F 79096037 OITCKLYRFIYKOI-UHFFFAOYSA-N 316.398 1.111 0 40 DDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 3010526 KVGCCBQHDNCCEB-GHMZBOCLSA-N 313.398 1.012 0 40 DDAB C[C@H](NC(=O)N1CCSCC1)c1ccc2c(c1)NC(=O)CO2 46975038 RRGFRJGHYKWORO-JTQLQIEISA-N 321.402 1.837 0 40 DDAB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCC#N 6656599 WKZUUCHBUACVRK-MFKMUULPSA-N 308.359 1.776 0 40 DDAB CCNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6954026 YSPPWVMITKZPHP-UHFFFAOYSA-N 312.435 1.832 0 40 DDAB 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O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1sccc1Br 84410467 FBLBKLJXKDMXNG-FSPLSTOPSA-N 320.164 1.171 0 40 DDAB CC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1 8021759 ZTSBIMVXCLBHMA-LBPRGKRZSA-N 310.400 1.794 0 40 DDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCN(C2CC2)CC1 72552362 HEVKEMAYFTVYPS-HNNXBMFYSA-N 319.409 1.374 0 40 DDAB O=c1c2ccccc2nnn1Cc1nc(-c2ccsc2)no1 8222374 KYUFJCDMAPFXCY-UHFFFAOYSA-N 311.326 1.951 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)N(C)Cc2ccco2)c1 70039480 MXKRLVVZXSPGHB-HNNXBMFYSA-N 316.405 1.908 0 40 DDAB Cc1noc(C)c1[C@@H](C)C(=O)N1CC[C@H](N2CCOCC2)C1 84022971 OXPYMAUSYYFJHM-RISCZKNCSA-N 307.394 1.328 0 40 DDAB O=C1OCC[C@H]1NCC1CCN(C[C@@H](O)c2ccccc2)CC1 69518169 MOZQQTBKMDBHNQ-IAGOWNOFSA-N 318.417 1.337 0 40 DDAB O=c1[nH]c(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccc12 69622727 BTTATVQORYYHOE-CYBMUJFWSA-N 324.388 1.427 0 40 DDAB COCCN1CCN(Cc2cc(OC)c(OC)cc2C)CC1 69658927 NUZLDBDTAHFQTG-UHFFFAOYSA-N 308.422 1.776 0 40 DDAB C[C@@H]1C[C@@H](N2CCN(C[C@H](O)c3ccccc3)CC2)C(=O)O1 69743039 NRTYEYXGMYZADA-BMFZPTHFSA-N 304.390 1.042 0 40 DDAB O=C(/C=C/c1ccccc1)NS(=O)(=O)C[C@@H]1CCCCO1 69811186 NUZMFNTXZUTUOK-HBWSCVEGSA-N 309.387 1.715 0 40 DDAB O=S(=O)(CCNCc1ccc(Cl)cc1)N1CCOCC1 96404225 OQZLDBQZKRSXLA-UHFFFAOYSA-N 318.826 1.092 0 40 DDAB CC(C)Cc1ccc([C@H](O)CN2CCN(C[C@@H](C)O)CC2)cc1 69947943 JVXNXRDONYCBAB-VQIMIIECSA-N 320.477 1.917 0 40 DDAB O=C(C[C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 69950731 DNDOEUJRGFKSJZ-SJORKVTESA-N 318.417 1.433 0 40 DDAB Cc1nnnn1-c1ccccc1C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 71285675 NWCMLLDVWZZELZ-HZSPNIEDSA-N 309.373 1.913 0 40 DDAB CCc1nc(CNCc2ccc(OCC(N)=O)cc2)cs1 71837021 XEURJKZGBWXLNR-UHFFFAOYSA-N 305.403 1.859 0 40 DDAB Cc1occc1C(=O)N1CCN(Cc2nnc(C3CC3)o2)CC1 71824779 OYOBBZQFPHDFSX-UHFFFAOYSA-N 316.361 1.806 0 40 DDAB COCc1nc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cs1 71830946 MQMMYSZMTMWRNP-GFCCVEGCSA-N 305.359 1.246 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)C2)n1 71841435 YUBHAEALMQXUCU-BNOWGMLFSA-N 315.377 1.621 0 40 DDAB Cc1nc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cs1 71834680 PKMCQZLRYZSCDM-NSHDSACASA-N 309.435 1.777 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)C[C@@H](C)n3cccc3)CCO2)n1 83829851 RATOUKILRAQMJR-CHWSQXEVSA-N 317.393 1.720 0 40 DDAB CCc1nc(CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)cs1 83830289 WYZPRJQADCACGC-NSHDSACASA-N 324.450 1.545 0 40 DDAB C[C@H](CNC(=O)C(C)(C)c1cccnc1)CN1CCOCC1 95456908 RIMOLIWEYCOHJD-CQSZACIVSA-N 305.422 1.444 0 40 DDAB O=C(NCC(F)(F)F)N1CCC(c2nnc3n2CCC3)CC1 95955112 DMPXCEPGBSSZJK-UHFFFAOYSA-N 317.315 1.676 0 40 DDAB C[C@@H]1CN(Cc2cccc(C(N)=O)c2)CCN1CC(F)(F)F 95977681 XMWNGNAITDUWCO-LLVKDONJSA-N 315.339 1.854 0 40 DDAB CC(C)COC[C@H](C)NC(=O)N1CCC2(CC1)OC[C@@H](C)O2 95960680 SKQXTTSSPWYBPV-UONOGXRCSA-N 314.426 1.985 0 40 DDAB Cc1cc(=O)[nH]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C 89568376 VEFFDLGOYJBHMZ-KGLIPLIRSA-N 303.406 1.771 0 40 DDAB Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c(=O)[nH]1 75118850 FLCQRKFOBPVGDB-HNNXBMFYSA-N 313.401 1.586 0 40 DDAB CCC[C@@](C)(CNC(=O)CCCOC)NC(=O)CCCOC 75145198 UNELDJIHRGQXDL-INIZCTEOSA-N 316.442 1.631 0 40 DDAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1[nH]nc2c1CCCC2 89787943 LIKGPRUCGRMAIF-UHFFFAOYSA-N 323.360 1.645 0 40 DDAB CCCn1nc(C(=O)NCc2ccc(C(=O)O)cc2)ccc1=O 75572409 VIFCEKDZLUBLJC-UHFFFAOYSA-N 315.329 1.282 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4F)C(=O)[C@@H]13)O2 4099746 NRDULVCAICMSGX-JFILPPLUSA-N 303.289 1.192 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1[C@@H]1CCN(CC(F)(F)F)C1 554097163 FLLRVFDWKDCJQM-SECBINFHSA-N 305.300 1.488 0 40 DDAB CCNCC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551540417 VZEDQEXFYXATLP-IAGOWNOFSA-N 316.449 1.642 0 40 DDAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCOCC1 33428862 LWSSOCOEJDEUAG-AWEZNQCLSA-N 319.384 1.989 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O 30836196 JCIYZTBXUJCAMW-SNVBAGLBSA-N 322.386 1.657 0 40 DDAB Cc1ccnn1CCC(=O)N[C@H](C)Cn1nnc2ccccc21 72324198 OKMIBNRJUVIFFK-GFCCVEGCSA-N 312.377 1.531 0 40 DDAB CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C 559264004 HIFMJPOJLUXLJI-UHFFFAOYSA-N 310.419 1.256 0 40 DDAB COc1ccccc1CS(=O)(=O)Cc1nc(C2CC2)n[nH]1 125166287 FYJZGHQTPBHUFQ-UHFFFAOYSA-N 307.375 1.806 0 40 DDAB CCOc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1 79438787 CVCMJTATNXOZAE-UHFFFAOYSA-N 308.382 1.932 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)NC[C@@H]1CN2CCC[C@H]2CO1 61649678 OTYVDVJFAVFVSZ-JKSUJKDBSA-N 316.401 1.143 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(C(F)(F)F)cs1 185515495 RDFZIXLVVSHPHD-RQJHMYQMSA-N 310.297 1.270 0 40 DDAB CN(C(=O)C[C@H]1C=CCC1)[C@H]1CCN(CC(F)(F)F)C1=O 79002106 JPFGWBXTUYIFDR-QWRGUYRKSA-N 304.312 1.964 0 40 DDAB COc1cc(C(=O)NC2CCC(O)CC2)n(-c2ccccc2)n1 227162260 HZNHFVPKANZURN-UHFFFAOYSA-N 315.373 1.914 0 40 DDAB CC1(C)CN=C(N2CCN(CC(=O)NCC3CCC3)CC2)S1 85821482 NJUOMRQVFKQZHB-UHFFFAOYSA-N 324.494 1.402 0 40 DDAB CN1CCO[C@H](C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)C1 89989368 NKDJFARQNNAAEI-HNNXBMFYSA-N 314.389 1.720 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 138910051 CQGQSLDQXDUVQF-WDEREUQCSA-N 300.380 1.475 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@H]1C 529973496 AIZGEPPWARDQLK-KIGUWFBYSA-N 302.378 1.957 0 40 DDAB COCCCNC(=O)CN1CCC[C@@H](c2ncc(C)s2)C1 96406957 SYUNFRVJSQECOM-CYBMUJFWSA-N 311.451 1.784 0 40 DDAB CCn1nnc2c1CCN(C(=O)c1cc(C)[nH]c1C)[C@@H]2COC 96068760 KFIBQIURUVWPEU-CQSZACIVSA-N 317.393 1.629 0 40 DDAB O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccncc3)CC[C@@H]21)C1CC1 96110767 CAOMQMVCMAFFHP-ULQDDVLXSA-N 315.417 1.445 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccncc3)C[C@H]2C1 96053947 UKHYLPQLZJPAGN-KBPBESRZSA-N 314.414 1.742 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(Cc1ccccn1)CC2 96058955 KJDJKGRYQQFHNG-UHFFFAOYSA-N 314.437 1.572 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1CN(C)CCN1C 96449561 AOOYNOOEPMDWOA-ZFWWWQNUSA-N 323.412 1.345 0 40 DDAB CC(C)C(=O)N1CC[C@H](NC(=O)NC2Cc3ccccc3C2)C1 97377414 RHIQKLDCWYCQQF-HNNXBMFYSA-N 315.417 1.710 0 40 DDAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4ccncn4)C[C@H]3O2)no1 96046412 DOKYWSUIHOXKMI-WCFLWFBJSA-N 315.333 1.160 0 40 DDAB CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O 96345771 UDICTKJZWXXLJB-UHFFFAOYSA-N 306.318 1.739 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cccc3cc[nH]c23)O1 96492561 ORKKGRXSLFPGJT-TZMCWYRMSA-N 315.373 1.534 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1)N1CCCCO1 96066245 PPTYBMLCGVNXMM-CWRNSKLLSA-N 320.389 1.813 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1CCCN(c2ccccn2)CC1 96502991 NRVQMQVBOGWZAC-HNNXBMFYSA-N 318.421 1.872 0 40 DDAB COCCNC(=O)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 96041129 YSIHEZZGRZLJRS-SOUVJXGZSA-N 324.446 1.348 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1 257339832 ZDJZKQSTQYZRMB-INIZCTEOSA-N 319.401 1.770 0 40 DDAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CC2)n1 604382134 GWRZYOWIZQZBKY-QBPKDAKJSA-N 319.449 1.500 0 40 DDAB biogenic,in-vitro COCCNC(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 252550516 SPBFDVHZKWVRFE-HAQNSBGRSA-N 312.345 1.251 0 40 DDAB Cc1cc(O)nc([C@H]2CN(CCOc3ccccc3)CCO2)n1 257246952 IWRSAIODIHDVMH-OAHLLOKOSA-N 315.373 1.943 0 40 DDAB CN1CCN(S(=O)(=O)N2CCCC2)C[C@@H]1c1ccccc1 257223653 DYIKANVLZGWJPP-OAHLLOKOSA-N 309.435 1.316 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C)nc2C)n1 257306229 STJQXJXTQMAWAF-CYBMUJFWSA-N 301.350 1.339 0 40 DDAB Cc1nnsc1C(=O)N[C@@H](Cn1nccn1)c1ccccc1 253400348 LEHWQIKICFTLHE-LBPRGKRZSA-N 314.374 1.609 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)C2CCOCC2)C1 257287046 POGRYFXSLGRTKR-ZDUSSCGKSA-N 318.421 1.726 0 40 DDAB CN1CCC[C@H]1c1cncc(C(=O)NCCN2CCCC2)n1 257229458 FYFDCVKFUFJSKW-HNNXBMFYSA-N 303.410 1.069 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ocnc2C)CCO1 257266475 MDEHAQJBPKSGFN-JTQLQIEISA-N 303.322 1.028 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccnc2)c1 257221254 DODAFLAYTFXLDI-QGZVFWFLSA-N 310.401 1.588 0 40 DDAB O=C(O)CC1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 262497135 XQDRVPRKYBUMSL-UHFFFAOYSA-N 317.407 1.057 0 40 DDAB CCc1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)s1 575423736 QBOQLQDPSYSWQW-DTWKUNHWSA-N 302.446 1.171 0 40 DDAB O=C(C1CC(F)C1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 585101613 RKKLBDAJSFMOBK-PPUFBPAQSA-N 318.352 1.180 0 40 DDAB COc1ccc(CN2CCC[C@@](O)(CCC(N)=O)C2)c(F)c1 585277572 IXIMAWVUBPJFNA-MRXNPFEDSA-N 310.369 1.427 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)NCc1nc(-c2ccco2)n[nH]1 75091843 KOROQDBKIDJWAL-UHFFFAOYSA-N 314.301 1.565 0 40 DDAB CN(C)C(=O)CN(C)C(=O)c1c2c(nc3ccccc13)CCC2 78578286 BJURGTYBSWHGGM-UHFFFAOYSA-N 311.385 1.884 0 40 DDAB CN1C[C@H](NC(=O)c2ncccc2C(F)(F)F)CCC1=O 92411708 NREYHNXYASLOSI-MRVPVSSYSA-N 301.268 1.451 0 40 DDAB O=C(O)c1cnc(N2CCOCC2)nc1-c1cc(F)cc(F)c1 169752334 FMAMYAMLZPOLER-UHFFFAOYSA-N 321.283 1.957 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1 88059570 YXRANDHKVRJEIY-SECBINFHSA-N 308.325 1.688 0 40 DDAB Nc1nccnc1C(=O)N1CC[C@@H](COCc2ccccc2)C1 96426850 FVZHERQMLXGQNO-CQSZACIVSA-N 312.373 1.738 0 40 DDAB COc1cccc(C(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c1 1549162482 QNJMMKYNVUIDML-UHFFFAOYSA-N 316.357 1.464 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Oc2ncccc2Br)C1 238865910 LTSLGOVMIYUSJE-MRVPVSSYSA-N 321.196 1.257 0 40 DDAB CCc1cccc2c(/C=C3/C(=O)NC(=S)N(C)C3=O)c[nH]c12 8088013 WSEGXNHCUUIRHZ-GHXNOFRVSA-N 313.382 1.987 0 40 DDAB CCOc1ccc(OCC(=O)OCC(=O)N[C@@H](C)CC)cc1 5287145 WFUNLJFLOUNTCM-LBPRGKRZSA-N 309.362 1.922 0 40 DDAB COC(=O)[C@H]1[C@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OC)[n+]1ccccc12 5121003 DGVSUYJFSVZNIH-NXOAAHMSSA-N 324.356 1.601 0 40 DDAB O=C(CN1C(=O)N2CCCN=C2c2ccccc21)N1CCCC1 12142782 XHGRRMZIZJQMDE-UHFFFAOYSA-N 312.373 1.701 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)NC3[C@H]4CCCC[C@@H]34)ccc21 12241740 OJJDUKQOAPKMLX-BVUQATHDSA-N 322.386 1.598 0 40 DDAB c1cc2c(cc1CNNCc1ccc3c(c1)OCO3)OCO2 19167230 YWVSESSJVOWLFE-UHFFFAOYSA-N 300.314 1.938 0 40 DDAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19292414 SQMNVQAHKYYVHN-ZDUSSCGKSA-N 300.406 1.628 0 40 DDAB O[C@@H]1CN(Cc2cc[nH]n2)C[C@]12C[C@@H](c1cccc(F)c1)CO2 643586066 VPYJTVNTODBTBF-KBRIMQKVSA-N 317.364 1.668 0 40 DDAB C[C@H]1OCCN(Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1C(N)=O 551864778 TZLMJPHLCFYVMG-BMIGLBTASA-N 319.336 1.555 0 40 DDAB COC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 250460536 KSGXXQQPLBLQBU-TXFQPVFDSA-N 315.325 1.935 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 220277 MVEGIRIQRMNTDL-GXTWGEPZSA-N 304.390 1.958 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nn1 1888853081 FOLOPKDKAYUAIR-GFCCVEGCSA-N 301.350 1.060 0 40 DDAB NC(=O)c1cc(OC2CN(C3Cc4ccccc4C3)C2)ccn1 1889116251 APXGCOSCVFOUAE-UHFFFAOYSA-N 309.369 1.411 0 40 DDAB O=C([C@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCCC1 1889122806 UFIYTZWARFWIHP-OAHLLOKOSA-N 310.344 1.788 0 40 DDAB COC[C@H](C)NC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 22625041 UWRJYTZDZIAECG-ZCUOCTDKSA-N 320.389 1.364 0 40 DDAB c1ccn(-c2nonc2-n2nncc2-c2ccc3c(c2)OCO3)c1 96336532 HZAYOJYVPPEJHS-UHFFFAOYSA-N 322.284 1.837 0 40 DDAB COc1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 3117155 DBAGQDVQHYGNOO-UHFFFAOYSA-N 319.342 1.392 0 40 DDAB COC[C@H]1Cn2nnc(C)c2CN1Cc1cccc(OC)c1 2055734542 HMPVVNCZEILTMK-CQSZACIVSA-N 302.378 1.626 0 40 DDAB CSc1nc2n(n1)[C@H](c1ccc(C)o1)C(C(N)=O)=C(C)N2 12289299 VILSLJKCJJMUSA-SNVBAGLBSA-N 305.363 1.676 0 40 DDAB CCCNC(=O)NC(=O)CNc1ccccc1OC(F)F 30291076 WGUFRYPNCUEXQM-UHFFFAOYSA-N 301.293 1.936 0 40 DDAB O=C(NCCc1ccccn1)NC[C@H]1COc2ccccc2O1 40477798 VMIXMVKSCMDQSF-AWEZNQCLSA-N 313.357 1.763 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ncc(C)s2)CC1 40464802 BNYNQKYAGVHNPK-UHFFFAOYSA-N 317.436 1.452 0 40 DDAB Cc1cnc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1 40459655 UDPHNBYEHQQCIQ-AWEZNQCLSA-N 300.362 1.945 0 40 DDAB Cc1csc(NC(=O)c2ccc(F)cc2-n2cnnn2)n1 20733850 GHOXBXQVOCNNDT-UHFFFAOYSA-N 304.310 1.819 0 40 DDAB Cn1ncc2c(NCc3ccc(S(C)(=O)=O)cc3)ncnc21 52100767 QELKTXPFBDZJRG-UHFFFAOYSA-N 317.374 1.379 0 40 DDAB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)c1 102687027 KWAXNMVQELENOS-CRJCFHLZSA-N 311.337 1.587 0 40 DDAB Cc1cc2nnc(SCC(=O)Nc3cc(C)on3)n2c(C)n1 32922602 HCOLFULZPSORNP-UHFFFAOYSA-N 318.362 1.768 0 40 DDAB O=C(CN(C[C@@H]1CCOC1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 52774834 MSMIHRWPHWXERA-UAGQMJEPSA-N 322.449 1.657 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C[C@@H](O)COCc1ccco1 2624916 FLPFLGOYWKDQIH-CYBMUJFWSA-N 312.410 1.394 0 40 DDAB O=C(Cc1cccc(O)c1)Nc1cccc(-n2cn[nH]c2=O)c1 97141540 XGTDCAUOUDTIIG-UHFFFAOYSA-N 310.313 1.447 0 40 DDAB CCn1cc(CNC(=O)c2nc(-c3cccs3)no2)cn1 2733215 FIUVLKHVVFPIGH-UHFFFAOYSA-N 303.347 1.945 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCc1ccccc1 53048154 KSMKSGYBECQVPW-LBPRGKRZSA-N 300.410 1.755 0 40 DDAB CCc1cc(NC(=O)NCC[S@@](=O)c2ccccc2)n(C)n1 76070467 GJWRWRMUSWZPEN-QFIPXVFZSA-N 320.418 1.912 0 40 DDAB CO[C@H]1CCCN(C(=O)NCc2ccnc(-n3ccnc3)c2)C1 76573440 CIYVHIARCAVMDZ-AWEZNQCLSA-N 315.377 1.588 0 40 DDAB CCn1c(N2CCN(S(=O)(=O)CC)CC2)nc2ccccc21 1370919 PUGTXQFAVFVOOI-UHFFFAOYSA-N 322.434 1.528 0 40 DDAB Cc1ccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)cc1 4129565 GBMSPRAJYJKIBG-UHFFFAOYSA-N 316.342 1.738 0 40 DDAB O=C(NCCN(CCO)C(=O)c1ccccc1)c1ccccc1 6227512 UCIUWTHWBBCAEA-UHFFFAOYSA-N 312.369 1.551 0 40 DDAB COc1ccc2nc(C)c(C(=O)N3CC[C@@H](C(N)=O)C3)cc2c1 53893446 VUDJUPMOESEAND-LLVKDONJSA-N 313.357 1.499 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cc(-c3ccccc3F)on2)C1 53894472 HJEPMULRIANHBX-VIFPVBQESA-N 303.293 1.428 0 40 DDAB C[C@H](C(=O)NC(C)(C)C)N1CCN(C(=O)C2CCCC2)CC1 23057603 ZFMBPMXXGOHADO-CYBMUJFWSA-N 309.454 1.624 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)o1 23305714 JDUHDDUPJBFMAY-MGPLVRAMSA-N 319.361 1.486 0 40 DDAB COc1ccc(OC)c(CCNC(=O)NC[C@@H]2CCCO2)c1 54540245 MEDFHIUIYJRHNR-AWEZNQCLSA-N 308.378 1.725 0 40 DDAB O=C(O)Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 105365079 HWSDHDPUYSAAOT-AZHAFVHUSA-N 317.341 1.999 0 40 DDAB COc1ccccc1[C@H](C)N(C)CCC(=O)N1CCOCC1 47888557 TZCXDKXSKCSWQL-AWEZNQCLSA-N 306.406 1.937 0 40 DDAB CCOC(=O)Nc1ccc(NC(=O)NCC(=O)N(C)C)cc1 47946555 ODDGSOCLNLIWFS-UHFFFAOYSA-N 308.338 1.465 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)n(C)n1 43433626 SDLTXBLJAFEJQI-GFCCVEGCSA-N 310.304 1.862 0 40 DDAB O=C(Cc1ccc(Nc2ccc3nnnn3n2)cc1)N1CCCC1 25568986 VQRPOPDCEAGDQI-UHFFFAOYSA-N 323.360 1.428 0 40 DDAB CC[C@]1(c2ccc(OC)c(C)c2)NC(=O)N(CC(=O)O)C1=O 57842189 PCYLZKLKJWMXNB-OAHLLOKOSA-N 306.318 1.245 0 40 DDAB O=C(CCn1nc2ccccn2c1=O)Nc1cccc(F)c1 57933169 VNAJBLAMRRQTGT-UHFFFAOYSA-N 300.293 1.664 0 40 DDAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2nncs2)CC1 58223087 AQNTYGJFOJUNBC-UHFFFAOYSA-N 313.383 1.623 0 40 DDAB CC[C@H](Sc1nnc(S[C@H](CC)C(N)=O)s1)C(N)=O 58295722 DNUXDFNTNWBVGX-OLQVQODUSA-N 320.465 1.250 0 40 DDAB CCN(C(=O)c1cc(OC)cc(OC)c1)[C@@H]1CC(O)=NC1=O 58201647 SUOJKETUHXMCEN-GFCCVEGCSA-N 306.318 1.421 0 40 DDAB CC(C)(C)N1C[C@@H](NC(=O)N[C@H](CO)c2ccccc2)CC1=O 174896630 PIWAGZVKGBYUGF-UONOGXRCSA-N 319.405 1.419 0 40 DDAB COc1ccc(CNC(=O)C(=O)N2CCc3ccccc3C2)cc1 170343679 WPFVBAVXDIQSTH-UHFFFAOYSA-N 324.380 1.896 0 40 DDAB CCOC(=O)CNC(=O)CSc1nnc(SC)s1 27532473 GZBOLQSGXNIHAR-UHFFFAOYSA-N 307.422 1.031 0 40 DDAB CCCn1nc(C(=O)N(C[C@@H]2CCOC2)C2CC2)ccc1=O 44941046 PSRHXUGVINOWIF-LBPRGKRZSA-N 305.378 1.294 0 40 DDAB CC(=O)N[C@H](CC(=O)Nc1cc(C)nn1C)c1ccccc1 44915282 GVSXRZLPYSQLNY-CQSZACIVSA-N 300.362 1.935 0 40 DDAB Cc1cc(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)no1 44970736 SRFTUNDLEDEEQR-SECBINFHSA-N 306.288 1.989 0 40 DDAB CS(=O)(=O)CCNCc1ccc(OCc2ccccn2)cc1 62423103 MMNIRTHFVTZSQJ-UHFFFAOYSA-N 320.414 1.795 0 40 DDAB COc1cc(NC(=O)c2cnccn2)ccc1N1CCCC1=O 11257691 HFVXMWZZDBGZBA-UHFFFAOYSA-N 312.329 1.864 0 40 DDAB O=C(N[C@H](Cc1ccccc1Br)C(=O)O)C1CC1 59905782 IBACFQBKRKYOLG-LLVKDONJSA-N 312.163 1.971 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 46106797 NXLNRGSZDXALED-NSHDSACASA-N 314.407 1.654 0 40 DDAB O=C(/C=C/c1cccc(F)c1)N1CCN(c2ncccn2)CC1 3603587 XCYSHIRSTAZRKR-AATRIKPKSA-N 312.348 1.978 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 71144570 QXSSYAKPSLINPN-VIFPVBQESA-N 306.790 1.709 0 40 DDAB O=C(O)CC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O 4090350 FPCJNKUBGIPTIE-ZDUSSCGKSA-N 318.329 1.535 0 40 DDAB biogenic Cc1nc2sc(C(=O)NCc3ccccn3)c(C)c2c(=O)[nH]1 71283493 RDVZKPYMKFCMDS-UHFFFAOYSA-N 314.370 1.926 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)CC2CCCC2)o1 49524690 WJBGNKGQKHOSOD-UHFFFAOYSA-N 300.380 1.450 0 40 DDAB CN1C(=O)COc2cc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)ccc21 71287293 PJWXYJYIJOWZLJ-STQMWFEESA-N 318.329 1.337 0 40 DDAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccccc1F 5040454 LZRLNMSAQBRZTL-QMMMGPOBSA-N 304.281 1.382 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)s1 4242289 BIYDXASKYGRHAR-UHFFFAOYSA-N 304.755 1.793 0 40 DDAB CCc1n[nH]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 14094803 BVFCAUUMGFLVPE-UHFFFAOYSA-N 306.347 1.827 0 40 DDAB O=C(NCCN1CCCC1)NCc1nncn1-c1ccccc1 65552666 HNYIFCRLLOTDIT-UHFFFAOYSA-N 314.393 1.162 0 40 DDAB O=C(N1CCOCC1)N1CCN(CCc2ccccc2)CC1 65563401 HHBNMQLAOXANIQ-UHFFFAOYSA-N 303.406 1.299 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n(C)n1 65623385 VKZKCWDIZWFJAR-LLVKDONJSA-N 316.336 1.859 0 40 DDAB CCC(CC)NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 14240106 IRMFNCTURFXVBH-UHFFFAOYSA-N 308.378 1.738 0 40 DDAB CC(C)CNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCC2 6719660 AWVWVRBZFRHYDN-UHFFFAOYSA-N 309.391 1.046 0 40 DDAB NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4834770 ZSCJJOUKAMOYCQ-JYRVWZFOSA-N 310.309 1.672 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)N1CCC(n2ccnn2)CC1 97046871 YKBDDVLGAJYMJS-UHFFFAOYSA-N 324.381 1.584 0 40 DDAB Cc1ncn(C[C@@H](O)COCc2ccccc2F)c(=O)c1C 97082270 FXYMLTIPQHZOPX-CQSZACIVSA-N 306.337 1.577 0 40 DDAB Cn1cc(CCC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cn1 67732563 AJFCQHUSGPXQIX-LBPRGKRZSA-N 324.450 1.169 0 40 DDAB O=C(NCc1nc(C2CC2)no1)C(=O)Nc1cccc(F)c1 72291093 BUFDZIJWKBMENO-UHFFFAOYSA-N 304.281 1.341 0 40 DDAB CC(C)=CC(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 7651815 HEMYSAQUKAQIPF-UHFFFAOYSA-N 322.336 1.732 0 40 DDAB O=S(=O)(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1 7989879 WVENYHDREYRFDY-ZDUSSCGKSA-N 300.811 1.713 0 40 DDAB Cc1cccc(NC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)n1 81410629 QVZWPKGMNHKPDG-OAHLLOKOSA-N 318.421 1.124 0 40 DDAB CC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccco3)n2)cc1 69383358 VVUSNZAEDGNPEQ-UHFFFAOYSA-N 311.301 1.774 0 40 DDAB Cn1cc(C(=O)N2CCCN(c3nccs3)CC2)ccc1=O 68297447 RVSLOLZDLQOWHZ-UHFFFAOYSA-N 318.402 1.194 0 40 DDAB CCS(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17032558 ZRXMWKRKKHSLRL-UHFFFAOYSA-N 312.479 1.923 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H](OC[C@@H]1CCCO1)C(C)C)C2 69598085 ZRTUPMIBEOFLOZ-ZFWWWQNUSA-N 322.409 1.149 0 40 DDAB C[C@@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1 69652246 LSMHNCXQACBSGV-GFCCVEGCSA-N 321.450 1.042 0 40 DDAB Cc1ncsc1C(=O)N1CCCN(Cc2nccn2C)CC1 71851874 DVXKHYIJKHYIFK-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB COC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)nn2c1O 8670572 GFKIFZXWDRJHPI-UHFFFAOYSA-N 312.329 1.829 0 40 DDAB CCc1nc(CN2CCN(C(=O)CC[C@@H]3CCCO3)CC2)no1 71893135 PVGVEUNVUAPXPF-ZDUSSCGKSA-N 322.409 1.235 0 40 DDAB CCc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)n(C)n1 83820358 CNOCVTOCKJWFHJ-LBPRGKRZSA-N 316.361 1.878 0 40 DDAB CCC(=O)NCc1ccccc1N1CCN(C(=O)CC)CC1 72284889 WIIJOHZCLQUYGV-UHFFFAOYSA-N 303.406 1.771 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cccc(-n2ccnc2)c1 71910524 BYTFBPAILHVECL-CQSZACIVSA-N 314.389 1.323 0 40 DDAB C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N1CCOC[C@@H]1C 71900778 RJMJQTRGJPEUKV-KBPBESRZSA-N 305.422 1.592 0 40 DDAB CN(C)C1(CNc2nc3ccccc3c(=O)[nH]2)CCOCC1 72947388 LOKWJZRDJSQOJQ-UHFFFAOYSA-N 302.378 1.446 0 40 DDAB CCn1cnnc1C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 95466777 CGAIFJNUYPAEAB-OAHLLOKOSA-N 313.405 1.704 0 40 DDAB COCCOc1ncccc1C(=O)N[C@@H](C)C1=CCN(C)CC1 95469069 VDAPNXPWMXAEIA-ZDUSSCGKSA-N 319.405 1.487 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1(C)C 73273310 LANOGISHGADEBC-NSODJVPESA-N 308.378 1.718 0 40 DDAB C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nnn[nH]1 95942100 YUVPOEVWIAAKRE-ZETCQYMHSA-N 314.176 1.969 0 40 DDAB CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(N)=O 95942370 WTAFGNQJHVKBNE-ZANVPECISA-N 309.366 1.725 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1 89289773 JVMNPSBYTLLNJG-GFCCVEGCSA-N 316.365 1.181 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 75132180 NNPFDQSSTYGMIP-ZDUSSCGKSA-N 318.381 1.056 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccncc1 32578731 MMHUEKJTZSTQMY-SECBINFHSA-N 304.331 1.657 0 40 DDAB Cc1cn2nnc(C(=O)NCCc3cccs3)c2c(O)n1 75163979 LRHHGXPXBGKDMZ-UHFFFAOYSA-N 303.347 1.172 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)N[C@H](C)C(=O)N(C)C)s1 79310640 VDBVJFSNGSMCPQ-SSDOTTSWSA-N 306.334 1.864 0 40 DDAB CCc1cnc(CN(C)C(=O)[C@@H]2CCc3nncn3C2)s1 560161018 JXIUEHBHKCPHAQ-SNVBAGLBSA-N 305.407 1.518 0 40 DDAB c1cncc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]cn3)n2)c1 72322043 PYHYLITWYPIFAU-HNNXBMFYSA-N 310.361 1.768 0 40 DDAB biogenic,in-vitro C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1coc2ccccc2c1=O 72324829 FHHUJWKASGMLKV-VHDGCEQUSA-N 314.385 1.432 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl 74935374 WHCWPIAOUAXYSM-UHFFFAOYSA-N 318.826 1.675 0 40 DDAB CC1(C)C(=O)N(CN2CCCCC2=O)C(=O)c2ccccc21 131223972 IYJINSGMGKSAIC-UHFFFAOYSA-N 300.358 1.917 0 40 DDAB CN1C(=O)[C@@](C)(C(=O)N2CCOCC2)Sc2ccccc21 40774667 PDCXZHXITNJYSN-HNNXBMFYSA-N 306.387 1.373 0 40 DDAB C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2)Cn1ccnc1 81806623 ZVQBVMVNFCZGQJ-LBPRGKRZSA-N 314.389 1.516 0 40 DDAB Cn1ccc(CCC(=O)N2CCCC[C@H]2CN2CCOCC2)n1 571304382 LHBVXXOBEYVSDN-INIZCTEOSA-N 320.437 1.066 0 40 DDAB C[C@@H]1CCC[C@@H](C)C1NC(=O)NC[C@](C)(O)c1cnn(C)c1 86427833 NGRCOUBCPIKWGJ-HSMVNMDESA-N 308.426 1.752 0 40 DDAB NCC[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)c2ccccc21 1580289057 JWXCOQAUXNWDCL-AWEZNQCLSA-N 309.369 1.878 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225671818 JSEWNDAFEXOSEP-UHFFFAOYSA-N 300.405 1.631 0 40 DDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cn3nccc3nc1C)C2 573291344 GWLNEUXXELXCLG-ZDUSSCGKSA-N 322.372 1.423 0 40 DDAB CN(C)CC(=O)N1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C1 96081075 BTMIHLMBIOQWME-OKILXGFUSA-N 316.405 1.170 0 40 DDAB Cc1nnc(C[C@H]2OC[C@H]3CN(Cc4ccco4)CC[C@H]32)[nH]1 96216968 ZMXACFNKQFEUIM-BPLDGKMQSA-N 302.378 1.786 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccoc3)C2)n1 96041222 IHHHEAYTJLVGFE-YNEHKIRRSA-N 303.318 1.758 0 40 DDAB C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(N)cc1Cl 97104503 PMKMTDXXRDZYMW-QPUJVOFHSA-N 304.799 1.519 0 40 DDAB CC(C)c1nc(C(=O)N2CCC[C@H](c3nnn[nH]3)C2)cs1 96485682 HTMSSGRXZGTJKK-VIFPVBQESA-N 306.395 1.799 0 40 DDAB O=C(NC[C@H]1CCCS1)N1CCN(Cc2ccccn2)CC1 97096636 YGXNYBDVTKHRBR-OAHLLOKOSA-N 320.462 1.804 0 40 DDAB CCOCC(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96219036 NGWZIAUXLXCCNF-ZENOOKHLSA-N 306.362 1.255 0 40 DDAB Cc1nnnn1-c1cc(NC(=O)NC[C@@H]2CCOC2)ccc1F 96403732 LENFOZRKLSIVKL-JTQLQIEISA-N 320.328 1.268 0 40 DDAB O=C(NCCc1ccc(O)cc1)[C@H](c1ccccc1)n1cnnn1 95473412 VBYKAPAEQOTPJH-INIZCTEOSA-N 323.356 1.327 0 40 DDAB COCCN1CC[C@]2(CN(c3ncc(C)cn3)C[C@H]2C)C1=O 96201660 REIPYEYLPICATE-CZUORRHYSA-N 304.394 1.106 0 40 DDAB CC(C)S(=O)(=O)CCCN1CCC[C@@H]1[C@H](O)C(F)(F)F 97227787 ZLWOBWFOKXZNQN-MNOVXSKESA-N 317.373 1.587 0 40 DDAB CCOc1cccc(N2CCN(C(=O)[C@@H](N)C(C)C)CC2)n1 97234182 CNZDPNABRPQUAQ-HNNXBMFYSA-N 306.410 1.112 0 40 DDAB NC(=O)c1cn(-c2ccc(I)cc2)cn1 95094118 WGCIOACCXZYJFO-UHFFFAOYSA-N 313.098 1.576 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96062308 KVGVDOMBXFKKGP-GOSISDBHSA-N 322.424 1.996 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2cccs2)nn1C 230134475 FLZMKLBYTGRUQT-CHWSQXEVSA-N 318.446 1.865 0 40 DDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccoc3)CC[C@H]21 247987918 KXIXCDJGBOTPFK-HZPDHXFCSA-N 321.421 1.147 0 40 DDAB CCOC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@H]1S(C)(=O)=O 242463970 DQVZOIUVYODZLZ-BZPMIXESSA-N 313.444 1.506 0 40 DDAB O=C([C@@H]1CCCO1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 247803878 HMIGUAUAIDGJIC-HOCLYGCPSA-N 319.405 1.447 0 40 DDAB Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)s1 257332882 XZDVARLCGIVAFB-MGPQQGTHSA-N 323.462 1.868 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1 257243058 IFHLSHLCNZOTBV-INIZCTEOSA-N 314.320 1.233 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cccn1C 257341645 ZLHCPDPYYLAQML-CQSZACIVSA-N 314.389 1.597 0 40 DDAB O=C(c1ccc2c(c1)CCC=C2)N1CCC(O)(C(=O)O)CC1 263508458 BTCTYTYQGLSPTR-UHFFFAOYSA-N 301.342 1.698 0 40 DDAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc[nH]c2=O)C1 65140615 INGNPJLRXJHBNQ-DZGCQCFKSA-N 311.385 1.940 0 40 DDAB C[C@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)CO1 28984387 KKRSSXSSISFXRU-KBPBESRZSA-N 301.390 1.732 0 40 DDAB Cc1nnc2ccc(C(=O)Nc3cccc(-c4nnn[nH]4)c3)cn12 95350482 PTGOHMHRHBHZBI-UHFFFAOYSA-N 320.316 1.470 0 40 DDAB Cc1ncnc(N2CCN(c3ncnc4n[nH]cc34)CC2)c1C 1776009857 UULVWARUZBRKLD-UHFFFAOYSA-N 310.365 1.086 0 40 DDAB O=c1[nH]nc2ccc(NCCCOCCc3ccccc3)nn12 95411925 ZMFVHOMEOXYMGR-UHFFFAOYSA-N 313.361 1.479 0 40 DDAB Cc1nc(CN2CCN(C(=O)[C@]3(C)CCCNC3)CC2)cs1 95947202 VTGPSOJRFVYNIR-MRXNPFEDSA-N 322.478 1.485 0 40 DDAB O=C1CN(C(=O)NC[C@H]2CCCO2)CN1Cc1ccccc1 95977971 NFSSSXFZOJNZOH-CQSZACIVSA-N 303.362 1.177 0 40 DDAB Cc1ccccc1CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 96494120 IKGWKDXXFKAEOB-ZDUSSCGKSA-N 310.419 1.030 0 40 DDAB O=C(O)CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 89809714 QIMHVKFHLWLYKQ-UHFFFAOYSA-N 314.288 1.130 0 40 DDAB C[C@H]1CN(C(=O)NCCc2ccc3c(c2)CCO3)C[C@H](C)O1 79349688 FSVHMPXAFGXOIF-STQMWFEESA-N 304.390 1.983 0 40 DDAB CNC(=O)N1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1 80371521 XEUVXZUJKJUHLN-UHFFFAOYSA-N 317.389 1.442 0 40 DDAB CN1C[C@@H](C(=O)Nc2cc[nH]n2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595716 KQYSLKLIJKRJNJ-XUJVJEKNSA-N 316.336 1.799 0 40 DDAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCC(C)C)C2)c1 5030710 WRMKOINSFUTREQ-OAHLLOKOSA-N 306.362 1.969 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1nccs1 14031791 ARMMDTXUUIPMNK-QMMMGPOBSA-N 308.388 1.684 0 40 DDAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cn1 16574630 ZUPXRHJJAJDKMK-DGCLKSJQSA-N 306.362 1.942 0 40 DDAB Cc1nc2c(c(NCCCN3CCCC3=O)n1)CN(C)CC2 19286262 FUQNNMJQPSMVNW-UHFFFAOYSA-N 303.410 1.197 0 40 DDAB COC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 5190793 QHUPJRAPGKRJBZ-VXGBXAGGSA-N 321.377 1.135 0 40 DDAB COCc1nsc(N2C[C@H]3CN(c4cnccn4)C[C@@H]3C2)n1 1888856917 XZWYHXOLCZUNHU-GHMZBOCLSA-N 318.406 1.047 0 40 DDAB Cc1ccnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1888890157 GMCPHDCNXLOONF-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB c1nc(N2CCC(c3nnc(C4CC4)o3)CC2)c2nc[nH]c2n1 1888900956 MLPHNHYDEIIEPN-UHFFFAOYSA-N 311.349 1.997 0 40 DDAB O=C(O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 20304861 PHPBLFJKQYJRHR-UHFFFAOYSA-N 320.252 1.738 0 40 DDAB O=C(c1ncn[nH]1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238885293 PXIDAWFFGYEXCQ-MRVPVSSYSA-N 316.346 1.546 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(=C3CC3)CC2)CC1 238851720 JLDUIAPRCMCAQN-UHFFFAOYSA-N 312.435 1.371 0 40 DDAB O=C(N1CC[C@H]2[C@H](C1)OCCN2Cc1ccncc1)C1(F)CC1 2056225673 XQECRLUDMDCKNI-GJZGRUSLSA-N 319.380 1.385 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ncnc(C)c1C)C2 1147065167 KIZDVIVBEQKRFI-RHSMWYFYSA-N 319.405 1.751 0 40 DDAB O=C(NC1CC1)c1ccc2n1CCN(C(=O)c1cc[nH]c1)CC2 1565552391 RRXXTPWPSXGDOY-UHFFFAOYSA-N 312.373 1.407 0 40 DDAB CNC(=O)Cn1c(CO)cnc1SCc1ccccc1C 9827367 PRRUYJQNHMIVIY-UHFFFAOYSA-N 305.403 1.722 0 40 DDAB CCCCNS(=O)(=O)CCCOc1ccc2c(c1)OCO2 12440647 WUECWZJXIPZIPY-UHFFFAOYSA-N 315.391 1.904 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(F)cc3F)C2)n1 1775967366 OPALEEJZXVTMKH-UHFFFAOYSA-N 319.311 1.602 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)NC(C)(C)C)C[C@@H]3C2)ncn1 1889040299 PABHUUAQTQSLEK-STQMWFEESA-N 303.410 1.661 0 40 DDAB O=c1cccnn1CCCNS(=O)(=O)/C=C/c1ccccc1 38517432 ZKJYQUOJKJPZFY-UKTHLTGXSA-N 319.386 1.224 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70966136 NKNXWSYUOPLBCV-QGZVFWFLSA-N 315.373 1.456 0 40 DDAB O=C(CCn1cccn1)NCc1ccc(NC(=O)C2CC2)cc1 30181917 HSJKTFYSHJJLNZ-UHFFFAOYSA-N 312.373 1.938 0 40 DDAB CNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 40475354 KLAYVKGGZPBKNS-UHFFFAOYSA-N 301.272 1.439 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CCO1 50858018 QFNXOMVLOTVOSH-ZZTKBFGJSA-N 306.406 1.306 0 40 DDAB O=C(Cn1nnn(-c2cccs2)c1=O)c1cc(F)ccc1F 31792526 KMFPOAWNJUHGIH-UHFFFAOYSA-N 322.296 1.652 0 40 DDAB COc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cn1 40543571 SWADQDINFGTGED-UHFFFAOYSA-N 313.361 1.735 0 40 DDAB COC(CNC(=O)c1nnn(-c2ccc(Cl)cc2)c1C)OC 51318175 WHNCGSMSLWHYCR-UHFFFAOYSA-N 324.768 1.578 0 40 DDAB CN1N=C(C(=O)N[C@H]2CCSc3ccccc32)CCC1=O 32338632 CFHRHQAQLOAIEA-NSHDSACASA-N 303.387 1.948 0 40 DDAB Cn1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)n1 32778142 OBHKGICXGMDMHN-UHFFFAOYSA-N 319.365 1.003 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 41127141 LYJJBFFDYVUXDP-VIFPVBQESA-N 316.279 1.418 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2COCCO2)c1 32806700 KCPQEORUZXKHAC-HOCLYGCPSA-N 321.373 1.783 0 40 DDAB Cc1csc(C2=C(O)CN(CCN3CCOCC3)C2=N)n1 102716071 NUPCKTMRTYVVEQ-UHFFFAOYSA-N 308.407 1.346 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1C)CC2 76022945 KYQNECJEOAXWPZ-GWCFXTLKSA-N 308.403 1.530 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 79438583 FMDUNRDBATUWGN-MRVPVSSYSA-N 324.362 1.964 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCN(c3nccs3)CC2)n1 22320718 XGYHIMVXIBLAJG-UHFFFAOYSA-N 319.434 1.695 0 40 DDAB CS(=O)(=O)Nc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 3105439 HAPOXFOZROTSSN-WDMOLILDSA-N 308.403 1.977 0 40 DDAB NC(=O)[C@H]1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 53572930 IAUGWVOEHAYALM-LBPRGKRZSA-N 308.345 1.103 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(CC(=O)O)cs1 37433715 KRIGQMLFBDUDJL-UHFFFAOYSA-N 308.363 1.302 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 3903735 GWGHUUDNESIALH-NFFDBFGFSA-N 319.744 1.799 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@H](C)c3ccccc3)C[C@]23C=C[C@H]1O3 3905460 KNDMWRNUGYJRIY-BWOYXGKQSA-N 313.353 1.703 0 40 DDAB COCCNC(=O)CNC(=O)CCc1ccc(C)c(Cl)c1 22697120 KQESKGJZQRYVHO-UHFFFAOYSA-N 312.797 1.460 0 40 DDAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1OC 6345586 SQGQPFJHAIVWIH-UHFFFAOYSA-N 317.407 1.797 0 40 DDAB COC(=O)[C@H]1[C@@H]2[C@@H]3[C@@H]4[C@@H]([C@H]1C(=O)OC)[C@]15CCCC[C@]21[C@H]3[C@H]45 104099718 DTUJSPXZJGULOB-GWIDJDPDSA-N 302.370 1.877 0 40 DDAB CC(C)c1nc(N[C@@H]2CCCCC[C@H]2C(N)=O)nc(N(C)C)n1 97032343 WSXJDRIDDMXASR-VXGBXAGGSA-N 320.441 1.907 0 40 DDAB C[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc2c(c1)CCC2 54804298 ORJXCYHBJPQGNY-ABAIWWIYSA-N 301.390 1.753 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](C)NC(=O)c2ccco2)c(=O)[nH]1 24186759 XTHMOBCEWIEUQY-NSHDSACASA-N 317.345 1.019 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269092 WMIJPUOGBLFERP-CVEARBPZSA-N 306.381 1.426 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 106078864 DOKKSIVOMJNRLH-LXTVHRRPSA-N 309.454 1.385 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2c1cnn2C 24986287 BJLVIOWFQLMMAE-PWSUYJOCSA-N 316.361 1.325 0 40 DDAB COC(=O)CCC(=O)N1CCC(NC(=O)c2ccsc2)CC1 56468187 CAQCXOOHNQJAJN-UHFFFAOYSA-N 324.402 1.422 0 40 DDAB O[C@H](CN1CCOCC1)CN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 108347220 SCLCVZXQLQFKDT-LTFXXXRZSA-N 322.493 1.970 0 40 DDAB COCC(=O)Nc1cc(Br)ccc1-n1cncn1 58264011 JKIQAAXWTGINBS-UHFFFAOYSA-N 311.139 1.615 0 40 DDAB CC(C)CCOc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1 2116228 XSOFYXNQYLIRNU-UHFFFAOYSA-N 322.361 1.042 0 40 DDAB biogenic Cc1cccc(C[C@H](CO)CNC[C@@H]2CNc3ccnn3C2)c1 58328412 QHZBGMVFRKLEKR-DLBZAZTESA-N 314.433 1.674 0 40 DDAB CCN(CC)CCC[C@H](C)NC(=O)CNC(=O)c1ccoc1C 58309459 HLEIAHIRUOLTMW-ZDUSSCGKSA-N 323.437 1.945 0 40 DDAB Cc1cc2n(n1)C[C@@H](CNC[C@@H](CO)Cc1ccccc1)CN2 58329510 XLBCXJRCWRQPLY-IRXDYDNUSA-N 314.433 1.674 0 40 DDAB CNC(=O)NC(=O)CCSc1nccn1-c1ccccc1 12773690 GBAPHWXZYPPKGT-UHFFFAOYSA-N 304.375 1.810 0 40 DDAB CNC(=O)c1ccc(CNCc2c(C)nn(C)c2N(C)C)cc1 58421548 HIVCUGABOAWVJR-UHFFFAOYSA-N 315.421 1.444 0 40 DDAB COc1c(CNCCNC(=O)c2cccs2)c(C)nn1C 58405247 YDPNZUUUEUYVPM-UHFFFAOYSA-N 308.407 1.318 0 40 DDAB C[C@@H]1CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C[C@@H](C)O1 58416202 JOGOLRMPKVSWIY-GHMZBOCLSA-N 300.399 1.926 0 40 DDAB O=C1c2ccccc2-c2ccc(C(=O)[C@H](O)S(=O)(=O)O)cc21 2324961 TVZARGXMZUKYCE-OAHLLOKOSA-N 318.306 1.287 0 40 DDAB Cc1oncc1C(=O)N1[C@H]2COC[C@H]1CC(OCC1CC1)C2 107262239 VXIYXNOHQUEDKB-CHWSQXEVSA-N 306.362 1.782 0 40 DDAB Cc1cc(C(=O)NCC(=O)NC(C)C)c2cnn(C(C)C)c2n1 11545312 VCHUOTCQGMXDLC-UHFFFAOYSA-N 317.393 1.575 0 40 DDAB COc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)cc1F 12923806 MAETUJJRWHJVJK-UHFFFAOYSA-N 309.322 1.475 0 40 DDAB C[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccc(OC(F)F)cc1 96839880 USCFMXLCXNKWJV-JGVFFNPUSA-N 301.293 1.522 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCNC2)C1 19421984 IMRAFYPVKALUBJ-STQMWFEESA-N 311.426 1.502 0 40 DDAB in-vitro CCOc1ccc(Nc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1 4371039 PBWNHHCCOXRTPM-UHFFFAOYSA-N 301.306 1.092 0 40 DDAB Cc1ccc(OCC(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1 4302855 QLRYJBYUWYRKOZ-OAHLLOKOSA-N 311.403 1.409 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCO1 65417561 WEVPYRFDSZJIKP-DOMZBBRYSA-N 300.362 1.966 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)C(Cl)(Cl)Cl 5451434 XZFVXVWWUVLSMI-UHFFFAOYSA-N 306.540 1.971 0 40 DDAB CC[C@@H](NC[C@@H]1CCCCO1)c1cccc(S(N)(=O)=O)c1 96008609 IVVXVLKOYNIAGG-DZGCQCFKSA-N 312.435 1.944 0 40 DDAB COCCOc1cccc(C(=O)NCCc2cncn2C)c1 96011890 XHFIQXPLJLTYCH-UHFFFAOYSA-N 303.362 1.418 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)C2CCNCC2)CC1 19687834 VMODXKSYGCISFV-UHFFFAOYSA-N 301.434 1.639 0 40 DDAB COc1ccc(NC(=O)Cn2c(C)csc2=O)c(OC)c1 6789354 IWFQAXFSEJSDNC-UHFFFAOYSA-N 308.359 1.874 0 40 DDAB CCN1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 67263030 PLOALAFSBMTRKH-UHFFFAOYSA-N 313.405 1.662 0 40 DDAB CC1(C)CO[C@H](c2ccccc2)CN1CCC(=O)NC(N)=O 67230885 ZMQXCVLASYCDST-ZDUSSCGKSA-N 305.378 1.424 0 40 DDAB Cc1ccc(-c2nnc3ccc(N4CCN(C)CC4)nn23)cc1 9305064 ZRODDJSNSZYETO-UHFFFAOYSA-N 308.389 1.852 0 40 DDAB COC(=O)c1ccc(CCC(=O)N[C@@H]2CCCCNC2=O)cc1 68089135 GKSILILVZCPRGU-CQSZACIVSA-N 318.373 1.191 0 40 DDAB Cc1cccc2nc(CNC(=O)CCN3CCSC3=O)cn12 68569136 OZCFTYJPZROLLR-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB COC(=O)CCCNC(=O)CN(C)Cc1ccccc1OC 16373737 LKQYXFDSRPLBEJ-UHFFFAOYSA-N 308.378 1.196 0 40 DDAB Cc1cccc(NC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)n1 81410628 QVZWPKGMNHKPDG-HNNXBMFYSA-N 318.421 1.124 0 40 DDAB CN(CC(=O)NC[C@H](O)C1CCCCC1)C(=O)OC(C)(C)C 71799511 OVPMBMQKJZZTMH-ZDUSSCGKSA-N 314.426 1.911 0 40 DDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(C(C)C)n2CCOC 9516982 JYMPKRHHILCNIF-UHFFFAOYSA-N 308.382 1.456 0 40 DDAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(C(N)=O)CC1 8317297 IROMRAQKHBLHTR-GFCCVEGCSA-N 321.396 1.070 0 40 DDAB Cn1nc(C(=O)Nc2cc(C(=O)O)ccc2Cl)ccc1=O 8329235 UPKZNCRQQFANIA-UHFFFAOYSA-N 307.693 1.384 0 40 DDAB Cc1cccn2c(=O)cc(CSc3nnnn3C3CC3)nc12 8342674 PBEYSALSFBWLJT-UHFFFAOYSA-N 314.374 1.617 0 40 DDAB CC1(C)CN(C2(CNC(=O)[C@H]3CCOC3)CCCCC2)CCO1 71888881 GUEBPOYBUYEBIH-HNNXBMFYSA-N 324.465 1.953 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C1CCCC1 69517152 AEOCPJOAEOGOJD-UHFFFAOYSA-N 310.375 1.960 0 40 DDAB O=C(Nc1ccc[nH]c1=O)[C@H]1CSCN1C(=O)C1CCCC1 69591688 MLSKOHKORCIXGW-GFCCVEGCSA-N 321.402 1.405 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccc[nH]1 17212623 ZZOJQUIFLMEYTB-UHFFFAOYSA-N 321.354 1.848 0 40 DDAB CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccccn2)C1 69628976 NQTWQYPIPPCRPT-AWEZNQCLSA-N 304.394 1.672 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1F 71829755 IVVDLCPSBNQAHH-PWSUYJOCSA-N 308.353 1.489 0 40 DDAB Cn1cc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cn1 69739277 QTLRBCVMCQKVDP-UHFFFAOYSA-N 316.361 1.601 0 40 DDAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1 71824481 NWQIIYNHVLWHHH-XJKSGUPXSA-N 311.385 1.508 0 40 DDAB Cc1cccc2nc(CNC(=O)CS(=O)(=O)CC(C)C)cn12 71890210 FOORZOJANGBCTR-UHFFFAOYSA-N 323.418 1.330 0 40 DDAB CCn1c(CNC(=O)[C@H]2Cc3ccccc3O2)n[nH]c1=S 69813711 NCUJSHYBALJYHJ-LLVKDONJSA-N 304.375 1.580 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cccnc2Cl)CC1 69920722 DEYRHFGWYSWXRM-LBPRGKRZSA-N 322.840 1.520 0 40 DDAB O=C(CSc1ncnc2nc[nH]c12)Nc1ccc(O)cc1 95471985 GMIOXZSIJITYSG-UHFFFAOYSA-N 301.331 1.789 0 40 DDAB CCc1c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cnn1CC(C)C 95439570 MMKIWBLZVQZCFA-STQMWFEESA-N 320.437 1.875 0 40 DDAB C[C@H](C(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1cccs1 95404142 MVHFSIUZKBKHKR-UWVGGRQHSA-N 302.421 1.131 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 95439720 HIIPDZXKDRQAPC-BXUZGUMPSA-N 321.808 1.755 0 40 DDAB CN(C)c1ncc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cn1 95973244 SSESTNOMFGEODG-NSHDSACASA-N 301.354 1.465 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C)C[C@H]3C)o2)n1 89594236 QDHFXSWDYMBKPS-CQSZACIVSA-N 316.405 1.917 0 40 DDAB CC(C)n1cnnc1CNC(=O)Cc1ccc(-n2cccn2)cc1 75137439 PGEJLODUIHJNHB-UHFFFAOYSA-N 324.388 1.904 0 40 DDAB CC(C)(O)CN(C(=O)Cc1cccc2nsnc12)C1CC1 1548688700 GJMTWADZCUEMHV-UHFFFAOYSA-N 305.403 1.996 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)c2cnc(COC)[nH]c2=N)C12CCC2 547783726 MQSNZJZZZZOLIA-NWDGAFQWSA-N 320.393 1.113 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)cc1N(C)C 547939553 LDQRSTOMPINPFR-VXGBXAGGSA-N 324.402 1.369 0 40 DDAB COC(=O)[C@H](Cc1c(C)cc(OC(C)=O)cc1C)NC(C)=O 34426240 IUQVQBCPGJMDKT-HNNXBMFYSA-N 307.346 1.449 0 40 DDAB C[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCN(C2CCC2)C1 557837075 MSQAQKPJOOECHG-GFCCVEGCSA-N 314.393 1.071 0 40 DDAB CC(C)c1nccc(N2CCC[C@](O)(Cn3ccnn3)C2)n1 517026400 RUIBOXCCBPWLLT-OAHLLOKOSA-N 302.382 1.223 0 40 DDAB CCNC(=O)Cn1c(=O)n(CC)c2ccc(C(=O)OCC)cc21 32776740 JGEPHSHLUJFUNY-UHFFFAOYSA-N 319.361 1.136 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@]23C=C[C@@](C)(CC(=O)C2)O3)cc1 3851526 MDNZBKXSKAWURT-JKSUJKDBSA-N 321.398 1.720 0 40 DDAB biogenic CC(=O)N1CC[C@@H]1c1cc(NCc2nccn2C)nc(C)n1 72386937 KMAPGPSCBADAPM-CYBMUJFWSA-N 300.366 1.424 0 40 DDAB O=C(Cn1ncccc1=O)N1CCC(Cc2ccccc2)CC1 38926494 CRGQOZJTZAESFW-UHFFFAOYSA-N 311.385 1.725 0 40 DDAB C[C@H](OC[C@H](O)CNC(=O)c1cccnc1)c1ccccc1 79085107 QISAQMPZPPSMNZ-XJKSGUPXSA-N 300.358 1.950 0 40 DDAB O=C(CN1CCC[C@H](O)C1)NC(=O)NCCC1=CCCCC1 40460384 YOKDWPNOTRKVTF-AWEZNQCLSA-N 309.410 1.159 0 40 DDAB OCCn1nc(O)c2cc(I)ccc21 225774927 ZKFSKRQYYWRECE-UHFFFAOYSA-N 304.087 1.339 0 40 DDAB O=C(Cc1cccc(O)c1)N1CCN(C[C@H]2CCOC2)CC1 85634899 ZQBDYDHZODZFBY-OAHLLOKOSA-N 304.390 1.115 0 40 DDAB CC(C)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225270255 GBRAEOJDTLJXCU-UHFFFAOYSA-N 301.437 1.777 0 40 DDAB CCN(CC)C(=O)CCCNc1nc(N)c2cnn(C)c2n1 195264324 KOLSFKPPWZCMRZ-UHFFFAOYSA-N 305.386 1.006 0 40 DDAB CCc1ccccc1CC(=O)NS(=O)(=O)c1c(C)noc1C 190746847 CAEGCMSTIAYKGD-UHFFFAOYSA-N 322.386 1.901 0 40 DDAB Fc1cccc(CN2CCC(NCCN3CCOCC3)CC2)c1 195577899 BZFYWWGGPBLTOQ-UHFFFAOYSA-N 321.440 1.712 0 40 DDAB Cn1nc(CN2CCCC2)c2c1CN(Cc1cccnc1)CC2 96084185 OILQSIJEZOECBB-UHFFFAOYSA-N 311.433 1.969 0 40 DDAB CCCC[C@@H](C(=O)OC)N1CCN(Cc2nc(C)no2)CC1 96415686 VEJFSODWSYIZOE-ZDUSSCGKSA-N 310.398 1.227 0 40 DDAB CN1CCC(NC(=O)Nc2cccc(OCC(F)F)n2)CC1 97378785 WZZVPOYZECYCTH-UHFFFAOYSA-N 314.336 1.941 0 40 DDAB COCCN1CC[C@H]2CN(C(=O)c3cccc(O)c3)C[C@H]2C1 96081408 MPBUYUFXVQIZBE-LSDHHAIUSA-N 304.390 1.433 0 40 DDAB O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncccn1)C2 96048712 BTJCCEMUYHHYJY-INIZCTEOSA-N 310.361 1.290 0 40 DDAB CSC[C@](C)(O)CN[C@@H](C)Cn1cc(Br)cn1 96478076 UYEDUWLAKRVDTF-GXSJLCMTSA-N 322.272 1.738 0 40 DDAB CCN1C[C@@H](COC(=O)c2ccc(-n3ccnc3)cc2)CC1=O 97230981 KBMBLZCCKMMKGY-ZDUSSCGKSA-N 313.357 1.898 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)C1CC1 96108414 XGBJSBALGLRRPC-CJNGLKHVSA-N 306.431 1.723 0 40 DDAB O=C(c1n[nH]c2c1CCN(Cc1ccoc1)C2)N1CCCC1 96187441 SYAIOLPNDAYOBE-UHFFFAOYSA-N 300.362 1.797 0 40 DDAB O=C(NCc1ccn(-c2ccc(F)cc2)n1)c1csnn1 96487339 VQFFTNYVPLPOLC-UHFFFAOYSA-N 303.322 1.793 0 40 DDAB O=C(Nc1ncccn1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 96485533 DVAAAVGSZRURDL-ZIAGYGMSSA-N 304.394 1.431 0 40 DDAB O=C(NC1CC1)N1CC[C@H]2CO[C@H](CNc3ncccn3)[C@H]2C1 96185544 KZMDWIBLAJFXOU-FPMFFAJLSA-N 317.393 1.097 0 40 DDAB O=C(COC[C@H]1CCOC12CN(C1CCC1)C2)N1CCCC1 247744148 QCNKTXDALWXZRV-CQSZACIVSA-N 308.422 1.269 0 40 DDAB O=C(CN1Cc2cncn2[C@H](COCC2CC2)C1)N1CCCC1 247759123 GGDVDDNCIQGEQM-INIZCTEOSA-N 318.421 1.289 0 40 DDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(C)n1)C2 247870943 KYHOKUWASVUAID-CYBMUJFWSA-N 310.419 1.026 0 40 DDAB Cn1ccnc1C(=O)N1C[C@H]2CC[C@H](Cc3cnccn3)[C@H]2C1 257320041 VVCJZIZJLDWLCT-UMVBOHGHSA-N 311.389 1.551 0 40 DDAB c1coc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 253588803 SVRFHZLKGGAPMV-HIFRSBDPSA-N 300.362 1.407 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2cc3cccc(F)c3[nH]2)CCO1 257283934 PANHBHUWHHMEPB-OAHLLOKOSA-N 305.309 1.023 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccccc1F 257305352 SPPFRMIHOIMHJQ-QGZVFWFLSA-N 314.364 1.853 0 40 DDAB O=C(COc1ccccc1)NCc1cccnc1-n1cccn1 24793182 QYVJGDIROCRTEY-UHFFFAOYSA-N 308.341 1.963 0 40 DDAB CC(=O)N[C@H]1CCN(CC2=Cc3ccccc3OC2)CC[C@@H]1O 257344576 ZXWUZTMVNYFZPB-IRXDYDNUSA-N 316.401 1.424 0 40 DDAB COCC(=O)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575403360 HQZZCRMSLHAISQ-AWEZNQCLSA-N 306.362 1.005 0 40 DDAB Cc1nc(CC(=O)N2CCO[C@@H](c3cnccn3)C2)cs1 585180725 PGLNSGCWUVZABN-CYBMUJFWSA-N 304.375 1.384 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc3oc(C)cc3c2)[C@@H]1O 585286269 KECDPUJBCFGMKD-BMFZPTHFSA-N 319.357 1.588 0 40 DDAB CN(c1cccnn1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 69815138 GIGPAHIMBCUNCP-AWEZNQCLSA-N 304.394 1.473 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)s1 32824125 OHNHNDIMONHORK-ZETCQYMHSA-N 323.827 1.038 0 40 DDAB CC(C)N(C(=O)COc1ccc(-n2cnnn2)cc1)C(C)C 72742241 UZZHYJCSBPBOKQ-UHFFFAOYSA-N 303.366 1.687 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCNS(C)(=O)=O)o1 44024910 PGIOBRKZRXRZLD-PWSUYJOCSA-N 314.407 1.001 0 40 DDAB COc1cccc(COC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 105699670 WMCBFFWSWCFASO-IJEWVQPXSA-N 309.406 1.682 0 40 DDAB Cn1nnnc1SC[C@@H](O)c1ccc(Br)cc1 69779398 GIDCOCBKDZVQDM-SECBINFHSA-N 315.196 1.798 0 40 DDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 70275620 METHOVPSSVXPLX-UHFFFAOYSA-N 311.384 1.891 0 40 DDAB CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N 5555164 LFGOGIRQBVNIIH-UHFFFAOYSA-N 305.407 1.902 0 40 DDAB CNc1c(F)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1F 5605329 CJBFHMKHWROICX-VIFPVBQESA-N 316.260 1.054 0 40 DDAB Cn1ncc2c1CCCN(C(=O)c1ccc3c(c1)OCCO3)C2 19289659 PEIXJQAZQUYBBI-UHFFFAOYSA-N 313.357 1.780 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 102863608 FWRFDILAQMFPGV-ZIAGYGMSSA-N 302.374 1.632 0 40 DDAB CN(C)c1cc(CNC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)ccn1 585149762 MWBOMAKOIMBVTF-OCCSQVGLSA-N 318.421 1.172 0 40 DDAB O=C(NCCCN1CCCCC1)c1n[nH]c(=O)c2ccccc12 10086827 XXWXWYXCOXRQBQ-UHFFFAOYSA-N 314.389 1.529 0 40 DDAB Cc1nsc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889096027 HZOBXYKEAVYHMB-NSHDSACASA-N 312.464 1.638 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccncc1 16731316 XGPBUOJIPXGRAH-JTQLQIEISA-N 305.359 1.220 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)CC3CCCCC3)C[C@@H]21 2037984904 RAXWFEANTVMDCF-GJZGRUSLSA-N 308.422 1.663 0 40 DDAB Cc1ncc(C(=O)N2CC3(C[C@@H](NC4CCC4)CS3)C2)cn1 2056223461 MUXFUVTVBZIYDX-CQSZACIVSA-N 318.446 1.627 0 40 DDAB CC1CC(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)C1 1565555182 VMGZPFXRRBXFPQ-UHFFFAOYSA-N 321.446 1.818 0 40 DDAB CNC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O 15085642 MJMCCYKKSITYKX-UHFFFAOYSA-N 303.318 1.922 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)N3CCCCC3)ncn2C1 2055714909 YGFSRTGXBAMIDJ-CYBMUJFWSA-N 318.421 1.596 0 40 DDAB CCCCCCNC(=O)CS(=O)(=O)Cc1nc(CC)no1 40106346 NDGDIHIHVLKSBH-UHFFFAOYSA-N 317.411 1.243 0 40 DDAB Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2COCCO2)n1 30884323 HWAVPFMMMXBWBB-HNNXBMFYSA-N 301.346 1.843 0 40 DDAB CCOC(=O)c1c(O)c2cnc(SC)nc2n(C(C)C)c1=O 100227140 BPKZALDCHAXRIT-UHFFFAOYSA-N 323.374 1.977 0 40 DDAB CCN1C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1=O 40508573 PVUZJRKFGNRLIQ-UWVGGRQHSA-N 317.345 1.213 0 40 DDAB CC(C)CO[C@@H](C)C(=O)NCc1ccc(-n2cncn2)nc1 40534743 UMZCJLDTHHLYJC-LBPRGKRZSA-N 303.366 1.340 0 40 DDAB COc1ccccc1OCCN(C)Cc1nnnn1C1CC1 40555590 WMXOVWXQMNLAAT-UHFFFAOYSA-N 303.366 1.527 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)NCCc1ccccn1 32657123 CUCVBOYTJBPJHA-UHFFFAOYSA-N 318.398 1.848 0 40 DDAB Cc1cnc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cn1 29901737 HDCOFPSGSCHEQU-LLVKDONJSA-N 300.366 1.594 0 40 DDAB Cc1ccc(OCCN(C)C(=O)N[C@@H](C)c2nncn2C)cc1 46963759 KGXUXHFUXAIHBU-ZDUSSCGKSA-N 317.393 1.905 0 40 DDAB COc1cn(CC(=O)NC2CCCCCCC2)c(CO)cc1=O 79488299 ILFAZTRPSDVVKR-UHFFFAOYSA-N 322.405 1.578 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)no1 41814925 LSSQZCOIDWIIFB-JTQLQIEISA-N 306.347 1.683 0 40 DDAB Cc1nc(/C=C/C(=O)N2CCC(NC(=O)C3CC3)CC2)cs1 42003828 DSKVEJOMADTPMC-SNAWJCMRSA-N 319.430 1.982 0 40 DDAB Cc1ccc(-n2ccnc2SCC(=O)NC(N)=O)c(C)c1 6081084 UEDLJAWLOHOSOE-UHFFFAOYSA-N 304.375 1.776 0 40 DDAB C[C@@H](Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccn1 97038930 BYWPPIYCYNIKTO-CYBMUJFWSA-N 315.377 1.310 0 40 DDAB O=S(=O)(NC[C@@H]1CCCO1)c1cccc(Br)c1 23993581 ALYLGCGWVOQGEL-JTQLQIEISA-N 320.208 1.906 0 40 DDAB Cc1ccsc1CN(C)C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O 97235125 JCYABHWPHQPCBY-ZWNOBZJWSA-N 310.419 1.291 0 40 DDAB CCCc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)s1 72296612 WDBWYMXYEPDUBQ-LBPRGKRZSA-N 317.414 1.922 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2c1cnn2C 24986291 BJLVIOWFQLMMAE-JQWIXIFHSA-N 316.361 1.325 0 40 DDAB CCc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)n(C)n1 72291001 KTBHBAIQBFEZJI-UHFFFAOYSA-N 320.780 1.891 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)NC(=O)CS2 25044050 PYUABKUEERELQF-UHFFFAOYSA-N 316.386 1.737 0 40 DDAB CC[C@@H](C)N(C)CCNC(=O)[C@H](C)NC(=O)c1cccs1 106764519 NDNUJHKREGNLEH-NEPJUHHUSA-N 311.451 1.713 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1 26850529 VQIDFESVACULBB-ZDUSSCGKSA-N 309.366 1.915 0 40 DDAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cn1cnnn1 95440401 BYJVRVPMWHGGOF-JTQLQIEISA-N 308.411 1.781 0 40 DDAB COC(=O)c1oc(CN2CCN(c3ncccn3)CC2)cc1C 25912698 SQZKAESAZYCXRI-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 57293396 HMRLWGJSVMHAQE-ZDUSSCGKSA-N 305.378 1.788 0 40 DDAB COC(=O)N[C@H](C(=O)N1CCn2c1nc1ccccc12)C(C)C 108155662 IKVUMPMXMQAMFI-ZDUSSCGKSA-N 316.361 1.764 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](c2ccn[nH]2)C1)N1CCCC1=O 72282964 FOFZGOKRCIQJMO-CJNGLKHVSA-N 318.421 1.763 0 40 DDAB Cc1ccccc1OCC(=O)OCC(=O)NC[C@H]1CCCO1 3238459 QMZDMNWRIZQCIU-CYBMUJFWSA-N 307.346 1.212 0 40 DDAB CC(C)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 26647141 NNGPCHTTXUMHCO-UHFFFAOYSA-N 320.368 1.626 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1nc2ccccc2s1 102172760 BBTOGGUGIGKYTH-QSFUFRPTSA-N 316.338 1.889 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1(C)C 73273316 LANOGISHGADEBC-RSAASHCRSA-N 308.378 1.718 0 40 DDAB O=C(NCc1cccs1)N[C@H]1CCCc2c1cnn2CCO 48278463 PEIGZLIAHSIOCD-ZDUSSCGKSA-N 320.418 1.814 0 40 DDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccccc2F)C1 58103110 RUAZWTICANABDO-JTQLQIEISA-N 315.370 1.371 0 40 DDAB O=C(CC(=O)[C@H]1CCOC1=O)C(=O)Nc1cccc(Cl)c1 102983264 DZFDBCCPZLHMKU-SNVBAGLBSA-N 309.705 1.370 0 40 DDAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccn(C)c(=O)c1 58296753 UZZMALJKEZNKCZ-UHFFFAOYSA-N 309.329 1.731 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCSCC1 44950590 IWKTXFVVETVNOC-ZDUSSCGKSA-N 322.430 1.334 0 40 DDAB O=C(NCCNc1ncnc2sccc12)Nc1nncs1 44972414 XDAYFTZXGDNQQH-UHFFFAOYSA-N 321.391 1.776 0 40 DDAB COC[C@H](C)N(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 44970027 CTXMJEXAVYTXBB-JTQLQIEISA-N 306.341 1.822 0 40 DDAB Cc1cccc(Cn2cccc(C(=O)N3CCOCC3)c2=O)c1 58418093 IDZDKMXJYWIXRY-UHFFFAOYSA-N 312.369 1.677 0 40 DDAB COC(=O)c1ncn(C[C@@H](C)C(=O)c2ccc(F)c(F)c2)n1 97142127 BDPWIYPTQPIGTE-MRVPVSSYSA-N 309.272 1.862 0 40 DDAB S=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCOCC2)nc1 55031832 LXGUVUCHTQPOSM-ZDUSSCGKSA-N 322.434 1.384 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCCO1 27396794 IBAVXZXWTAOUIQ-LBPRGKRZSA-N 301.346 1.082 0 40 DDAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC)nc2)C1 28274589 DSPVCWZDGLWICU-NSHDSACASA-N 307.350 1.897 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cn1ncc(=O)c2ccccc21 45448485 LYDBPWYRPSFAFV-NWDGAFQWSA-N 301.346 1.032 0 40 DDAB Cc1cc(C)cc(OCCN(C)C(=O)C2=NN(C)C(=O)CC2)c1 45550302 FIWYGJGMPYGKPQ-UHFFFAOYSA-N 317.389 1.749 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@H]2CCOC2)cc1OC 45742997 SFVDEOOQZLMURX-SECBINFHSA-N 319.354 1.158 0 40 DDAB O=C(NCCc1nnc2ccccn12)c1cc(F)cc(F)c1 11545608 OEXNZCOAOBJUBO-UHFFFAOYSA-N 302.284 1.980 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(c2cnccn2)C1 29782781 AZPZZWGRHGCTCU-AWEZNQCLSA-N 314.393 1.085 0 40 DDAB CNC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1 48374705 NMRVGVDAVSTLRL-AWEZNQCLSA-N 322.372 1.530 0 40 DDAB COc1cccc(-c2cnc3c(N4CCNCC4)nccn23)c1 306127510 GALKDASXVABGLI-UHFFFAOYSA-N 309.373 1.815 0 40 DDAB COC(=O)[C@@H](C)CN(C)C(=O)c1cc(-c2cccnc2)on1 63748299 CYEGMXRFNDKRAT-JTQLQIEISA-N 303.318 1.618 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2nncs2)c1 65415395 XVQWONYFIZUPFV-JTQLQIEISA-N 324.362 1.410 0 40 DDAB NC(=O)[C@H]1C[C@H](O)CN1Cc1coc(-c2cccc(Cl)c2)n1 65488609 HLVPSPFDIVYARU-QWHCGFSZSA-N 321.764 1.416 0 40 DDAB CN1CCN(CCCNC(=O)c2cc(-c3ccco3)[nH]n2)CC1 65588560 TUGIDEXKIBSGIU-UHFFFAOYSA-N 317.393 1.037 0 40 DDAB CN(C)[C@@H](CNC(=O)c1nccnc1N)c1cccc(F)c1 22766987 KBNRVPIEUSDOPQ-LBPRGKRZSA-N 303.341 1.231 0 40 DDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nncs1 5776607 FUZDRARXOXTIJP-VIFPVBQESA-N 306.372 1.980 0 40 DDAB COc1ccc2nc(Nc3nc(O)c(C)c(=O)[nH]3)nc(C)c2c1 4867182 JOBIJDQOMIDODX-UHFFFAOYSA-N 313.317 1.788 0 40 DDAB COC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1 6832038 KRPZDHUVMSQTJD-UHFFFAOYSA-N 319.390 1.912 0 40 DDAB NC(=O)Cc1ccccc1OCC(=O)Nc1cccc(F)c1 84502351 RAABDMKFRUQVKU-UHFFFAOYSA-N 302.305 1.871 0 40 DDAB Cc1ccc(-n2nc(C)c(C(=O)NCCCC(=O)O)n2)c(C)c1 95348421 ZARPQVVMXOQGET-UHFFFAOYSA-N 316.361 1.787 0 40 DDAB Cn1ncc(NC[C@](C)(O)C2CC2)c(Br)c1=O 95396196 BNXWTVTUFJEEFZ-NSHDSACASA-N 302.172 1.116 0 40 DDAB c1ccc(-c2nccc(CN[C@H]3CCc4ncnn4C3)n2)cc1 69491551 DQMDLWDUPFGUTP-HNNXBMFYSA-N 306.373 1.840 0 40 DDAB CC(C)NC(=O)C[C@H](C)NC(=O)c1c(O)cc(F)cc1F 96440998 DYEPJWPVHYYNCO-QMMMGPOBSA-N 300.305 1.703 0 40 DDAB NC(=O)CSc1nnc(Sc2ncnc3[nH]ccc23)s1 69536556 WPRVCUXVFOPTMR-UHFFFAOYSA-N 324.416 1.538 0 40 DDAB CCOC(=O)c1cnc2nc(N3CCOCC3)nc(O)c2c1C 22606838 CHNCZOTYLSSQJU-UHFFFAOYSA-N 318.333 1.052 0 40 DDAB CC(C)(O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 69950762 PGNQUBTZBZSFCY-UHFFFAOYSA-N 316.445 1.633 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@H](C)OC(C)(C)C1 71831149 PDQVFIHXHWSAHG-VIFPVBQESA-N 319.361 1.474 0 40 DDAB Cc1noc(COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 71883736 JAOUGEHYOBIECS-SNVBAGLBSA-N 319.292 1.613 0 40 DDAB CC(C)Oc1ncc(C(=O)N2CCNC(=O)CC2)cc1Cl 71839473 GNZVHLJVBQPUFF-UHFFFAOYSA-N 311.769 1.484 0 40 DDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCOc1cccc(F)c1 71908255 CDTDHGDWODOIHG-BBRMVZONSA-N 324.396 1.820 0 40 DDAB COc1ncnc(N)c1CNC[C@@H]1CCO[C@H]1c1ccccc1 83915170 ADAGMHGTDIENTC-ZFWWWQNUSA-N 314.389 1.935 0 40 DDAB Cn1nc2c(c1NC(=O)[C@H]1CS[C@@]3(C)CCC(=O)N13)CCC2 95955059 RKRJFIHMGAIOGW-ABAIWWIYSA-N 320.418 1.301 0 40 DDAB CN(Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCN(C)C1=O 89374986 YGKYEJYRJVOJMJ-CYBMUJFWSA-N 301.346 1.805 0 40 DDAB O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCOC1 89794213 CRVBBSKANWDQTC-SECBINFHSA-N 304.268 1.632 0 40 DDAB CCCn1nccc1NC(=O)NCc1cn2ccc(C)nc2n1 89960658 JIGSMEYAMQQXCY-UHFFFAOYSA-N 313.365 1.966 0 40 DDAB CCC[C@@H](C(=O)O)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C 67665303 GBVXUKWRYVJUFG-PEDHHIEDSA-N 322.405 1.630 0 40 DDAB in-vitro CC[C@H](CN1CCOCC1)NC(=O)Cc1cc(C)ccc1OC 36741475 GXVUPCUUSAAFLZ-MRXNPFEDSA-N 320.433 1.773 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 36633886 GHEZITIDOMJHSD-MRXNPFEDSA-N 315.417 1.573 0 40 DDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1ccccc1 72238031 UNBJQEILJSQWFQ-KGLIPLIRSA-N 301.302 1.212 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217409795 VLGXKPPSZGGFBB-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB COc1ccc(Cl)cc1[C@]1(CCC(=O)O)NC(=O)NC1=O 71669909 PSQBJNPEPVHUCP-ZDUSSCGKSA-N 312.709 1.248 0 40 DDAB Cc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 74923349 CLAVNAVTNRETSM-UHFFFAOYSA-N 318.354 1.908 0 40 DDAB CC(C)CNC(=O)c1cccc(Cn2cnnc2[S@](C)=O)c1 78995961 ONHQIRDXJYZMCW-JOCHJYFZSA-N 320.418 1.450 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(-n2cccn2)cc1 40529422 WNAKJYMKCGLEQO-AWEZNQCLSA-N 315.377 1.181 0 40 DDAB COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCSC(C)(C)C2)C1 192452834 UTXZYYJZLFMXOT-WDEREUQCSA-N 300.424 1.865 0 40 DDAB COCCNCCNC(=O)c1ccc(C)c(Br)c1 195547817 HNGOTBSFEYFYRD-UHFFFAOYSA-N 315.211 1.723 0 40 DDAB O=C(O)CCC(=O)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 49171063 OBNYQARAHZIZAM-NSHDSACASA-N 316.317 1.312 0 40 DDAB biogenic,in-vitro CCO[C@@H]1C[C@](O)(CNC(=O)c2c(C)nn(C)c2C)C1(C)C 191792926 YVXFRISNSMNIJM-WBMJQRKESA-N 309.410 1.333 0 40 DDAB Cc1nn(C)c2cn([C@H](C)C(=O)NCCCn3ccnc3)nc12 41124265 UIPKFVHYCSZNTA-GFCCVEGCSA-N 315.381 1.042 0 40 DDAB c1csc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)c1 96056324 RZBNTBRAQPVSIT-HRCADAONSA-N 308.447 1.812 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 96184451 CFLBMQWPTBUHOZ-HOTGVXAUSA-N 303.406 1.730 0 40 DDAB O=C(c1cocn1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107271 LONCVXGXKBVQEK-CJNGLKHVSA-N 306.362 1.865 0 40 DDAB Cc1cnc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)nc1 515215772 APDWBAYCYSPLGI-NSHDSACASA-N 303.391 1.592 0 40 DDAB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 96182385 CTIQDZOIMYOTSB-IYBDPMFKSA-N 308.385 1.993 0 40 DDAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(C)C)COC1 96112753 NEPPCEWYXVFFLW-LBPRGKRZSA-N 303.362 1.892 0 40 DDAB biogenic,in-vitro Cc1cccc(CN2CCc3nnc(Cn4cccn4)n3CC2)n1 96259882 QDMIAHAJXLHVMA-UHFFFAOYSA-N 323.404 1.285 0 40 DDAB CC(C)(C)C(=O)Nc1cnn(CC(=O)NCc2ccco2)c1 96424111 OVDOMFTYVFEEHF-UHFFFAOYSA-N 304.350 1.777 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3cccn3C)CC2)C1=O 96157773 OTVYFQAZAYDPSM-UHFFFAOYSA-N 319.405 1.126 0 40 DDAB O=S(=O)(C1CCOCC1)N1CC[C@@H](CN2CCCCC2)C1 96428574 PMRFKBDAXNLJIG-AWEZNQCLSA-N 316.467 1.303 0 40 DDAB COCCN1CC[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1=O 96249042 SCIRZBHONNAESF-AAEUAGOBSA-N 308.403 1.315 0 40 DDAB CC(=O)N(C)Cc1ncn2c1CN(Cc1ccco1)CCC2 96259276 LSTZHSGQKODULR-UHFFFAOYSA-N 302.378 1.860 0 40 DDAB Cc1nn(C)c(N)c1C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C 330032501 OGKYLTDROWWBEC-LLVKDONJSA-N 322.409 1.647 0 40 DDAB COCCOC[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 96441070 NAJZJONACSOPBU-LBPRGKRZSA-N 303.362 1.688 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccco4)CC[C@@H]3O2)n1 96070538 WDOWKIGTVUEKDJ-GMXVVIOVSA-N 303.318 1.963 0 40 DDAB Cn1cc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 96187091 JTJJHFDDGVHJOW-IKGGRYGDSA-N 314.389 1.626 0 40 DDAB Cn1ccnc1CN1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 248110779 HDEYTCBGVWDGMX-JYJNAYRXSA-N 305.422 1.969 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2ccnn2C[C@@H](OC)C1 247832708 LSHIQLFYIYIDBN-ZDUSSCGKSA-N 303.366 1.079 0 40 DDAB COc1nc(OC)nc(N2CCC[C@@H](c3cncc(C)n3)C2)n1 257341924 ZMLUFPSCCKSCOZ-LLVKDONJSA-N 316.365 1.371 0 40 DDAB NCc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1 257259146 KXBUUVRZKLIYGA-UHFFFAOYSA-N 307.357 1.656 0 40 DDAB COc1ccc2ccccc2c1CN1CCO[C@@](C)(C(N)=O)C1 257247559 IZMXPEYDXGQYIS-GOSISDBHSA-N 314.385 1.925 0 40 DDAB CC(=O)N1CCC[C@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 257246769 IVTQKIOPYFZJNQ-CQSZACIVSA-N 313.405 1.987 0 40 DDAB CC(=O)N[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1O 257270371 MTYBWNZXDRAPRK-HUUCEWRRSA-N 304.390 1.306 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257299345 RPQUQZBCAFBQHD-GFCCVEGCSA-N 304.350 1.547 0 40 DDAB CN1C(=O)CCC[C@@H]2CN(C(=O)CCCn3cccn3)CC[C@H]21 257327651 XCEUSXFNSLVFRZ-HUUCEWRRSA-N 318.421 1.523 0 40 DDAB Cc1nc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)co1 257207985 BKEOSNKCORNIBY-LLVKDONJSA-N 302.334 1.597 0 40 DDAB COCc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 262458302 RUJZCLIFHIFZMT-GFCCVEGCSA-N 313.375 1.318 0 40 DDAB CCOC(=O)c1cnc(NCCCOc2ncccn2)nc1C 585141787 FWDKCLLHGKFFJI-UHFFFAOYSA-N 317.349 1.633 0 40 DDAB O=C([C@H]1CCCS1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093714 AAUBQWHHLFRLLV-UONOGXRCSA-N 310.463 1.187 0 40 DDAB COc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)cc1 69656259 JVVMLTZQEITMGG-UHFFFAOYSA-N 306.406 1.153 0 40 DDAB COCCN1CCN(Cc2nc3ccccc3n2C)C[C@H]1C 69706965 VUHNZRALCQVLSU-CQSZACIVSA-N 302.422 1.726 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 50246792 WWAKUIOPEZMGJO-SECBINFHSA-N 324.324 1.555 0 40 DDAB NC1(C(=O)N2CCN(C3CCCC3)CC2)Cc2ccccc2C1 97229048 WNBQPTCKERSEND-UHFFFAOYSA-N 313.445 1.570 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)NC(C)C)[C@@H](C)C[C@H]21 1775964294 BJDMVQWESRMGDF-IGQOVBAYSA-N 311.426 1.214 0 40 DDAB biogenic,in-vitro Cc1noc(Cl)c1CCC(=O)N1CCN(C[C@H](C)O)CC1 75602986 KVIGTNDYFUMTMR-JTQLQIEISA-N 315.801 1.094 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2CNC(=O)N2)c(C(F)(F)F)c1 89432555 SLLIHDDLKBVYHQ-JTQLQIEISA-N 317.267 1.012 0 40 DDAB CN(C(=O)c1cccn1C)[C@@H]1CCN(CC(F)(F)F)C1=O 79002131 QLVMXTBXRCTRKR-SNVBAGLBSA-N 303.284 1.260 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CN(C)CCO2)nn1-c1cccc(F)c1 95989219 DOVQZOQEFMKPLC-AWEZNQCLSA-N 318.352 1.589 0 40 DDAB O=S1(=O)CCCN1Cc1noc(-c2ccccc2Cl)n1 67098094 RJGVKFNBECWXCY-UHFFFAOYSA-N 313.766 1.926 0 40 DDAB CC[C@H](C)NC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12181150 OTNHCSWAGGSVQI-VIFPVBQESA-N 318.377 1.617 0 40 DDAB CC[C@H](C(=O)NC(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715066 SFXJFXWZJJIOEL-CYBMUJFWSA-N 316.398 1.895 0 40 DDAB C[C@H]1CN2CCC[C@H]2CN1Cc1ccnc(N2CCCC2)n1 19575802 BBNQXGXNCUUMGX-HOCLYGCPSA-N 301.438 1.745 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)s1 20000545 ZQSCCDZOFFLAGT-ZETCQYMHSA-N 310.828 1.595 0 40 DDAB CCc1ccccc1S(=O)(=O)N1CC[C@@H](c2ncon2)C1 238827493 FCFSNOYNHKYWDD-GFCCVEGCSA-N 307.375 1.810 0 40 DDAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cnc2ccccc2n1 238963532 YTAGZCASVWZVRE-HNNXBMFYSA-N 310.361 1.676 0 40 DDAB CNC(=O)C[C@@H]1OC[C@H]2CN(Cc3ccc(OC)cc3)CC[C@@H]12 1565550897 JOCFIITYTUQZJH-OIISXLGYSA-N 318.417 1.668 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc(C)cc2)C1 2055772905 URZBMJUYXQBTMY-GOSISDBHSA-N 312.417 1.929 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)nn1 1775967511 VAMAEIHIWNWULP-JTQLQIEISA-N 318.358 1.600 0 40 DDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1CC1CC1 49410004 DZWAISZQTZFLAB-UHFFFAOYSA-N 300.343 1.618 0 40 DDAB CCCCNC(=O)Cn1c(C)nc(-c2ccccn2)cc1=O 49404820 HJHRBUGFTUZGQE-UHFFFAOYSA-N 300.362 1.530 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccsc1)C2 585150255 IDNAUWJMHBATJJ-GFCCVEGCSA-N 302.403 1.891 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Cc1cccnc1)C2 618257565 XWYIROIDUFOYBP-AWEZNQCLSA-N 311.389 1.154 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@H]3CCCC[C@@H]3O)C2)n1 585603674 FSNULKXHHFJVHJ-GJZGRUSLSA-N 319.449 1.776 0 40 DDAB COC[C@@H](O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 96495153 OYBQWONSNVINBX-HNNXBMFYSA-N 317.389 1.535 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)N3CCO[C@H](C)C3)cn2)C[C@@H](C)O1 30036541 NZBAHYQVLPAZEE-MCIONIFRSA-N 319.405 1.556 0 40 DDAB CN(C(=O)c1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1 40086799 MTGFYOWJLVFILA-UHFFFAOYSA-N 308.359 1.807 0 40 DDAB O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(=O)[nH]c1 40523700 UUCOKRNFCCIPSP-UHFFFAOYSA-N 311.341 1.432 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1Cc1ccccn1 40516580 ZCFBUURYTZZQCJ-UHFFFAOYSA-N 312.373 1.120 0 40 DDAB COC[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(O)nn2C 31817602 AQKLKZPBAHQBCC-MRVPVSSYSA-N 304.350 1.316 0 40 DDAB NC(=O)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 51185664 AAKDKGZMROMYBP-UHFFFAOYSA-N 300.362 1.358 0 40 DDAB COCCN(CC(=O)N(C)C)Cc1ccc(F)c2cccnc12 51922426 UITOPZCEKJSIPM-UHFFFAOYSA-N 319.380 1.911 0 40 DDAB COc1cc(C2=NN(C(C)=O)C(C)(C)O2)cc(OC)c1OC 198878 VTHBNOOAAGBDJC-UHFFFAOYSA-N 308.334 1.989 0 40 DDAB Cn1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)c1 78991676 ZJQGBAZHSIFQPQ-UHFFFAOYSA-N 313.361 1.876 0 40 DDAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2CC=CC2)CC1 79644979 IPMGNKMTWFUNJF-UHFFFAOYSA-N 321.465 1.696 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)c3cccnc3)CC2)n1 47259552 JPKOEQRFLDEKGB-UHFFFAOYSA-N 315.377 1.546 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 6864256 YEAUBYBBPXZHRN-RDBSUJKOSA-N 319.357 1.690 0 40 DDAB COC(=O)c1cc(OCC(=O)c2ccc[nH]2)cc(C(=O)OC)c1 7784366 JHPJIRVVRFKUAF-UHFFFAOYSA-N 317.297 1.850 0 40 DDAB CNC(=O)CN1CCN(Cc2csc3ccccc23)CC1 22807516 JKPGEINTYFYPGD-UHFFFAOYSA-N 303.431 1.765 0 40 DDAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)NCc1ccco1 103137844 AGUOKTCOMUSUOM-RYUDHWBXSA-N 319.357 1.834 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1O[C@H]3c4ccccc4[C@H]1[C@H]32 100349992 QHVLCBUNKCSGKW-XUWVNRHRSA-N 319.320 1.723 0 40 DDAB Cc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)O)C2=O)cc1C 100855757 WIUBEPXPLVSVTL-RYUDHWBXSA-N 322.386 1.080 0 40 DDAB O=C(NCCN1CCN(c2ncccn2)CC1)c1ccccc1 57061636 FHWCYWWZGNFVKY-UHFFFAOYSA-N 311.389 1.029 0 40 DDAB CN(C)C=C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1 1383417 LLJNLVOEHODECJ-UHFFFAOYSA-N 311.345 1.499 0 40 DDAB CCOc1ncccc1C(=O)NC1CCN(C(=O)C(C)C)CC1 25247429 ZSIIHUDRFJHEHQ-UHFFFAOYSA-N 319.405 1.857 0 40 DDAB COc1ccc(N2C(=O)[C@H]3C(c4cccnc4)=NO[C@H]3C2=O)cc1 101358926 GWYALUDMANGAQH-DZGCQCFKSA-N 323.308 1.383 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3CCO[C@H]4CCC[C@@H]43)cc12 56195680 GPGFWHKEUIKSGU-KBPBESRZSA-N 300.362 1.670 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)O)C1 92181564 LFVKWHKYLVHKMY-WDEREUQCSA-N 311.359 1.311 0 40 DDAB CNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)cc1OC 26682938 ULQUOACKNINSSE-JTQLQIEISA-N 303.318 1.172 0 40 DDAB CCOC(=O)N1CCN(C(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 103209691 ODIYRIJZPRHYRT-JHJVBQTASA-N 311.451 1.824 0 40 DDAB COc1ccc(OCCNC(=O)N2CCC[C@H](N(C)C)C2)cc1 71857198 DQMFSIYVWXCJGS-AWEZNQCLSA-N 321.421 1.810 0 40 DDAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CC(N)=O)cc1 48230418 ICHYWNTVSNGTAT-UHFFFAOYSA-N 317.414 1.913 0 40 DDAB Cc1ccn2cc(C(=O)NCCCOC[C@@H]3CCCO3)nc2c1 44895437 JNSGXKRATYCGKL-AWEZNQCLSA-N 317.389 1.958 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 71871154 CFPBOUSYKNWGNZ-NSHDSACASA-N 316.323 1.844 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cncn1 71833023 HQIZDVNAUDLLEB-LLVKDONJSA-N 320.784 1.236 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)NCCCN(C)S(C)(=O)=O)o1 44951293 DRODWEZSUPLQLH-LLVKDONJSA-N 317.411 1.230 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCc3sccc3C2)c1Cl 27968179 UUFFFAJAEJYORQ-UHFFFAOYSA-N 317.823 1.882 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2csnn2)CC1 71820929 CNXOWGLLWXAQDG-UHFFFAOYSA-N 307.379 1.101 0 40 DDAB Cc1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2C)no1 36776991 YWRPXWZTLOMOIJ-UHFFFAOYSA-N 310.331 1.296 0 40 DDAB O[C@@H](CN1CCN(c2cnccn2)CC1)c1ccccc1Cl 46057613 MFWFSMOCEIYPDI-HNNXBMFYSA-N 318.808 1.986 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@@H](C)CN1CCOCC1 48302339 UWTQBEDQLMVMSM-ZDUSSCGKSA-N 322.409 1.000 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)no1 3464700 WGDZMWOYQWFYLX-RFAUZJTJSA-N 320.349 1.422 0 40 DDAB CC(C)(O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 69947291 SSZWDTPNABTLHS-UHFFFAOYSA-N 318.417 1.079 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(O)CC2)c1C 12905172 WMTVSRRCYBZNPJ-NSHDSACASA-N 308.378 1.446 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(C)C 8756094 LNEOPLNLUHIYKC-AWEZNQCLSA-N 302.330 1.456 0 40 DDAB biogenic NS(=O)(=O)CC1CCN(c2nccc(C(F)(F)F)n2)CC1 71902774 SBCRFTNKHHLLBQ-UHFFFAOYSA-N 324.328 1.000 0 40 DDAB CCOc1c(Cl)cc(CNCCNCCO)cc1OC 22076005 RVQQFCDKSWVAKM-UHFFFAOYSA-N 302.802 1.419 0 40 DDAB CCN1CCC(N(C)c2nn3c(=O)cc(C)nc3s2)CC1 65451908 UXNHUYZSNUASCC-UHFFFAOYSA-N 307.423 1.380 0 40 DDAB COc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(OC)c1 65552773 GSTYMNJSCPQLKH-WCQYABFASA-N 320.389 1.359 0 40 DDAB COc1cc(-c2ccccc2)sc1C(=O)N(C)CC(N)=O 65514719 GMNIKMTXLNPCNU-UHFFFAOYSA-N 304.371 1.981 0 40 DDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 6623186 CTPADENNZVKDHY-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1Cl 6607332 YZZJQKNVCWMNAW-VIFPVBQESA-N 308.721 1.494 0 40 DDAB C[C@H]1CN(C2CCN(C(=O)/C=C/c3ccccn3)CC2)CCO1 66396112 KVOYDPVFDTZZEV-NFAHFFEMSA-N 315.417 1.807 0 40 DDAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C[S@]1=O 5721105 ONFXWNHSHPQFDF-IIYDVTGLSA-N 320.197 1.999 0 40 DDAB O=C(c1ccccc1-c1ncn[nH]1)N1CCC[C@@]2(CCNC2)C1 67587852 WVBXGIKAUUMLEE-KRWDZBQOSA-N 311.389 1.687 0 40 DDAB COCCN1C[C@@H](NC2CCC3(CCNCC3)CC2)CC1=O 67805504 OYAUJPNSQJOCRV-HNNXBMFYSA-N 309.454 1.136 0 40 DDAB CC(C)c1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1 7871424 PSJLJXDPARCADK-UHFFFAOYSA-N 312.373 1.760 0 40 DDAB Cc1nnc(SCC(=O)NCc2cccc(Cl)c2)nc1O 7942918 IVNCSWDQXLKXNR-UHFFFAOYSA-N 324.793 1.948 0 40 DDAB CCCCNC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 7939167 JJUHCIVWCDSJIC-UHFFFAOYSA-N 323.345 1.540 0 40 DDAB CN1CC(=O)N(CCCC(=O)NCCc2ccc(F)cc2)C1=O 8077597 SQJMOENHMFJMFF-UHFFFAOYSA-N 321.352 1.159 0 40 DDAB Cc1ccc(CNC(=O)[C@H](C)N2CCC(C(N)=O)CC2)cc1 8318026 AVZCZGZRZXYIJH-ZDUSSCGKSA-N 303.406 1.197 0 40 DDAB Nc1nc(Cn2nc(-c3ccco3)oc2=O)nc2ccccc12 97083522 NXDGMVKAIDQNPL-UHFFFAOYSA-N 309.285 1.670 0 40 DDAB CCOc1ccc(C(=O)Nc2nc(C(N)=O)cs2)cc1OC 72288278 GTDGMQRALMMNGG-UHFFFAOYSA-N 321.358 1.902 0 40 DDAB CNc1snc(C)c1C(=O)N[C@H]1CCc2nc(C)cn2C1 72279157 SAMZQMOXEWTJMP-JTQLQIEISA-N 305.407 1.743 0 40 DDAB Cc1nnc(SC[C@@H]2CCc3ccccc3C2)n1CC(N)=O 97137195 WQZIGDLSQQZHTP-GFCCVEGCSA-N 316.430 1.969 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)CCc1c(C)noc1C)CC2 97199056 UBLYOWAVAGQVQL-LBPRGKRZSA-N 317.393 1.509 0 40 DDAB Cn1cc(C(=O)O[C@H](C(N)=O)C2CCOCC2)c2ccccc21 72313494 VLYRIDUGGXRCTP-HNNXBMFYSA-N 316.357 1.616 0 40 DDAB COc1ccsc1S(=O)(=O)N1C[C@H](CO)CC[C@@H]1C 95454452 UWSBFCYJHFQFSU-VHSXEESVSA-N 305.421 1.538 0 40 DDAB Cc1cccc(C)c1-n1nnnc1C[S@@](=O)CCOC(C)C 95409392 SXZZQFAYEVZOBL-JOCHJYFZSA-N 322.434 1.953 0 40 DDAB CC[C@H](COC)NS(=O)(=O)c1cc(F)cc(C(=O)O)c1 95940687 OTJCJCKXUIPRMT-SNVBAGLBSA-N 305.327 1.227 0 40 DDAB CCS(=O)(=O)N1CCN(c2nncc3ccccc23)CC1 74795523 SVGQRVPABXXNCK-UHFFFAOYSA-N 306.391 1.102 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cccnc2N(C)C)c(=O)[nH]1 75121400 JNMFTSKCBQWYLS-UHFFFAOYSA-N 300.362 1.383 0 40 DDAB CN(C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cnn(C)c1 75140671 UHWZHDBXXLSKGK-IXDOHACOSA-N 312.417 1.943 0 40 DDAB CC(C)Oc1ccc(F)cc1NC(=O)N(CCO)CCO 89888081 XOMVERMUSOHJNE-UHFFFAOYSA-N 300.330 1.431 0 40 DDAB OC[C@H]1CCCN1c1cc(NCCOc2ccccc2)ncn1 75584597 YGOHICJTCAGBSB-CQSZACIVSA-N 314.389 1.929 0 40 DDAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)C1(F)CC1)CC2 306135594 OVKYLZOBLXRYCC-ZDUSSCGKSA-N 312.385 1.222 0 40 DDAB Cc1cc(C)n(Cn2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n2)n1 32648287 QMCXXMNAODMPMB-KBPBESRZSA-N 317.393 1.452 0 40 DDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C 42676957 JQNPXLDKEAPIKO-GFCCVEGCSA-N 315.366 1.850 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306123440 ANAMKYNQQDENRW-MGPQQGTHSA-N 302.374 1.734 0 40 DDAB COc1ccccc1OCCN[C@@H](C(N)=O)c1ccccc1 30007802 CWWAZXBKXUEXCO-MRXNPFEDSA-N 300.358 1.890 0 40 DDAB COCCOCC(=O)N(C)Cc1c(Cl)nc2sccn12 79043725 LORZMNJDCBQQQM-UHFFFAOYSA-N 317.798 1.671 0 40 DDAB Cn1cccc(C(=O)NCc2cc(-c3ccccc3)on2)c1=O 38752504 XDXNCGVMJYRQMH-UHFFFAOYSA-N 309.325 1.970 0 40 DDAB CCc1nnc(Sc2c(N)cc(C(N)=O)cc2Cl)n1N 70462523 HXSRMFXWELMCMM-UHFFFAOYSA-N 312.786 1.040 0 40 DDAB Cc1cc([C@@H](O)CNC(=O)C(=O)NCc2cccs2)c(C)o1 1565519207 AGVPBIRIKNICFO-ZDUSSCGKSA-N 322.386 1.424 0 40 DDAB O=C(NCCOc1cc(N2CCCC2)ncn1)c1ccccc1 38520810 CMKBTOZFHVHXPN-UHFFFAOYSA-N 312.373 1.886 0 40 DDAB Cc1nnc(NC(=O)COc2ccc3c(c2)C(=O)CC3)s1 38488335 QFLQNWWVQUMLKY-UHFFFAOYSA-N 303.343 1.993 0 40 DDAB CCNC(=O)[C@@H]1CC(c2cnc(CCc3ccccc3)nc2)=NO1 226081713 FHHMCUWIPDIYQP-INIZCTEOSA-N 324.384 1.891 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226747365 HDCDPOLLRRNRQU-KRWDZBQOSA-N 319.380 1.873 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(NC(C)=O)cc1 225633726 FHHHTIDVYWARAS-KBPBESRZSA-N 320.345 1.048 0 40 DDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNc1ccccc1 226857761 WPZOBUWVBVJBFD-UHFFFAOYSA-N 306.343 1.999 0 40 DDAB Cc1ncc(CN(C)[C@H]2CC(=O)N(CC(F)(F)F)C2=O)s1 195238058 VQUZVNSSFRHHER-VIFPVBQESA-N 321.324 1.573 0 40 DDAB CC(=O)NC1CN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)C1 190229239 WKGXQNDMYIHCPZ-SECBINFHSA-N 311.332 1.598 0 40 DDAB C[S@@](=O)c1ccc(NC(=O)N2CCC[C@H]2CO)cc1F 96447182 KYFXQPNYXWZRES-FVINQWEUSA-N 300.355 1.552 0 40 DDAB Cc1cnc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cn1 96454840 KXCVKENJFWBOLY-OAHLLOKOSA-N 318.764 1.569 0 40 DDAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCC1 96112984 HUXLAXJASSHTLK-LSDHHAIUSA-N 301.390 1.170 0 40 DDAB biogenic,in-vitro C[C@H](C(=O)NCCCC(=O)Nc1cn[nH]c1)N1CCCCCC1 95404283 MLDQGPUMMYHUED-CYBMUJFWSA-N 321.425 1.509 0 40 DDAB Cn1cc(CN2CC3(CCN(C(=O)c4cccnc4)C3)C2)cn1 96046455 IXJZSOAVYCTRSC-UHFFFAOYSA-N 311.389 1.163 0 40 DDAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@H]2CCC[C@H]2C1 96462217 HJLKPBWOOWCUGY-MJBXVCDLSA-N 308.447 1.947 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2cccn2C)[C@H]1Cc1cnn(C)c1 96200906 CPCWKLXYXNCITR-ZBFHGGJFSA-N 315.421 1.146 0 40 DDAB Cc1cnnn1Cc1ncn2c1CN(C(=O)CC1CC1)CCC2 96084687 YCQCCXHJGHBDCJ-UHFFFAOYSA-N 314.393 1.364 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)N4CCCC4)O[C@H]3C2)nn1 96065472 VEGPGQGIHNXNRY-KKUMJFAQSA-N 316.405 1.391 0 40 DDAB Cc1cc(NC(=O)N[C@]2(C)CCOC2)n(Cc2ccccn2)n1 95440667 BGYKRLZOAAMCDK-MRXNPFEDSA-N 315.377 1.935 0 40 DDAB Cn1nnc2c1CCN(Cc1cccnc1)[C@H]2COCC1CC1 96068729 RJIIQHPGCURROG-INIZCTEOSA-N 313.405 1.736 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1 96188934 QMJOWECMOHRYNP-ZDUSSCGKSA-N 315.377 1.290 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)C2 247880618 PWGXLPKJOYCSQU-LBPRGKRZSA-N 321.398 1.691 0 40 DDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)/C=C/c2ccco2)n[nH]1 252552030 UMLADAHKNBFRFS-PSKZRQQASA-N 314.345 1.869 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257246647 IVCCMTNOGKFNCS-CYBMUJFWSA-N 305.403 1.933 0 40 DDAB Cc1nccc(N2CCC[C@@H](Cc3cc(C(N)=O)ncn3)C2)n1 257337804 YULZRDKRTDQTPV-LBPRGKRZSA-N 312.377 1.133 0 40 DDAB Cn1nccc1CN1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257227423 FPETULHBGTZMCI-CQSZACIVSA-N 312.377 1.896 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257247474 IZEBLYMOBBNWCJ-OAHLLOKOSA-N 323.356 1.875 0 40 DDAB CO[C@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@@]12CCCO2 257271727 MZNQJCUWWBIMBP-HOCLYGCPSA-N 307.394 1.068 0 40 DDAB CC(C)NC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)ncn2)C1 257205615 AZWPDMJURXWCNT-INIZCTEOSA-N 305.426 1.674 0 40 DDAB CCOC(=O)N1CCC[C@@H](c2nc(Cc3ccon3)no2)C1 273795650 DVIKUHRYSAXNNY-SNVBAGLBSA-N 306.322 1.984 0 40 DDAB C[C@@H](NS(C)(=O)=O)c1nc([C@@H](C)c2cccs2)no1 273750726 BBMZHNFAEBYUNA-JGVFFNPUSA-N 301.393 1.893 0 40 DDAB Cn1c(NC(=O)c2ccnc(-n3ccnc3)c2)nnc1C1CC1 585113295 AYDANNVIHYMFIY-UHFFFAOYSA-N 309.333 1.526 0 40 DDAB Cc1ccccc1CCC(=O)N1CC2(C[C@H](CO)CN2C)C1 585093852 JTDVMHZZDMNVDA-HNNXBMFYSA-N 302.418 1.453 0 40 DDAB Cc1cc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)c(C)o1 585093311 OQSZYLKJDHAMSO-AWEZNQCLSA-N 312.316 1.884 0 40 DDAB CC(C)OCc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1 69818347 SJCQVHMEXLDBEV-OAHLLOKOSA-N 320.433 1.750 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCCCN1C 69808995 LEMIOSNIAAEJGR-AWEZNQCLSA-N 304.390 1.901 0 40 DDAB CN1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C)C1=O 83881664 YCYCJMNQNPNVLL-ZDUSSCGKSA-N 302.378 1.421 0 40 DDAB CCN(CCNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 76086946 DYQYRKWEJKVIIJ-ZNMIVQPWSA-N 309.454 1.974 0 40 DDAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 76021855 SELVWZAQFWFVHV-KFWWJZLASA-N 324.469 1.179 0 40 DDAB CCc1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)o1 96420424 VPXWGFGLBYLTDW-UHFFFAOYSA-N 311.363 1.335 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC(C)(C)C(=O)O)CC2=O)cc1 96999745 NWBRITYGVGLIII-SNVBAGLBSA-N 320.345 1.028 0 40 DDAB Cn1c(S)nnc1CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 108894592 SZTHUBYGIARZKK-ULKQDVFKSA-N 308.407 1.115 0 40 DDAB COc1ccnc(N2CCC(Oc3ncc(C)cn3)CC2)n1 656214239 MMFDXNNDMFZANM-UHFFFAOYSA-N 301.350 1.631 0 40 DDAB O=C1CC[C@H](C(=O)N2CCc3ccc(Br)cc32)N1 79002246 AETAJMCDYPESKW-SNVBAGLBSA-N 309.163 1.617 0 40 DDAB CCOC(=O)c1nn(-c2ccc(OC)cc2)/c(=N/C(C)=O)s1 75693 UPYVKBGUULYGCO-PFONDFGASA-N 321.358 1.566 0 40 DDAB CC(C)CCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 5350572 HQERKNYJICYKQW-ZDUSSCGKSA-N 312.410 1.341 0 40 DDAB CN(CCOc1cccc(Cl)c1)C(=O)c1nccnc1N 12816448 NOFYWGYZYUYMDJ-UHFFFAOYSA-N 306.753 1.863 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)CC2CCCCC2)Cc2cn(C)nc21 19701211 GPBRLDAONMLUBJ-CQSZACIVSA-N 318.421 1.562 0 40 DDAB O=C(NCC1CC1)C1CN(Cc2ccnc(N3CCCC3)n2)C1 19747414 CEKZQQVAXNMYOT-UHFFFAOYSA-N 315.421 1.035 0 40 DDAB CN(C[C@H](O)Cc1ccccc1)S(=O)(=O)c1cccs1 152036478 JBFQRUFDZFCXGU-CYBMUJFWSA-N 311.428 1.972 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153472 BTGHSOCGQBHHDB-JTQLQIEISA-N 308.403 1.599 0 40 DDAB CCn1ccnc1N1CCN(CC(=O)NC2CCCCC2)CC1 11695745 WKRHTCAARYPGSG-UHFFFAOYSA-N 319.453 1.474 0 40 DDAB Cc1ccc2oc(=O)n(CCNC(=O)c3cscn3)c2c1 13227569 QZHDEAQIJUKURP-UHFFFAOYSA-N 303.343 1.789 0 40 DDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)NC[C@H]1CCCO1)CS2 14034887 XBDUGNLSKJGVLN-VXGBXAGGSA-N 323.418 1.192 0 40 DDAB O=C(CCNC(=O)c1ccco1)Oc1ccc2c(c1)OCO2 5577161 ZJIRTNWRRDMPNQ-UHFFFAOYSA-N 303.270 1.734 0 40 DDAB CNC(=O)Cc1csc(NC(=O)c2ccc(F)c(C)n2)n1 1888879633 USKAEBIQINGZNX-UHFFFAOYSA-N 308.338 1.526 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1 16959507 BBRNQRMWHLXEOX-NSHDSACASA-N 302.783 1.703 0 40 DDAB COc1ccc(-n2nnc(C(=O)Nc3nccs3)c2N)cc1 1889201424 AMOIVFFKDMZRQP-UHFFFAOYSA-N 316.346 1.567 0 40 DDAB CC(C)NC(=O)CN(C)c1ccc2nnc(C(F)(F)F)n2n1 14266651 OPKHXDWDCQLUJR-UHFFFAOYSA-N 316.287 1.104 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 23680582 XHYOBCGPIRTYEL-BBRMVZONSA-N 320.414 1.765 0 40 DDAB CN1CCCCC12CCN(C(=O)c1cccc(=O)n1C)CC2 1565543364 BOTSGQCONAJXKZ-UHFFFAOYSA-N 303.406 1.476 0 40 DDAB CCc1ccc(C(=O)N2C[C@H]3CN(CC(C)C)C(=O)[C@H]3C2)cn1 1565554726 FBFHZMQSNRGPHE-ZBFHGGJFSA-N 315.417 1.830 0 40 DDAB O=S(=O)(NCc1cn2ccccc2n1)c1ccc(F)cc1 2961009 AKYCTWCCBNDXLM-UHFFFAOYSA-N 305.334 1.952 0 40 DDAB CC[C@@H](C)NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12 10254170 SOEREWBWIMLIKJ-MRVPVSSYSA-N 303.318 1.385 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)N3CCCCC3)ncn2C1 2055714910 YGFSRTGXBAMIDJ-ZDUSSCGKSA-N 318.421 1.596 0 40 DDAB CCN(C(=O)CSc1nc(C)c(CC(N)=O)s1)C1CC1 32330655 MQJINABMVKGDBF-UHFFFAOYSA-N 313.448 1.582 0 40 DDAB Cc1ccccc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 101629486 RLMWOAULWUWOGM-AYMWWVTDSA-N 301.411 1.969 0 40 DDAB COc1ccc2cc(C(=O)NCCC(=O)N3CCCC3)[nH]c2c1 32796528 WVDGUMQMQKBPTI-UHFFFAOYSA-N 315.373 1.919 0 40 DDAB NC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)C1 32934147 GHNAVRLTRLUQLE-LBPRGKRZSA-N 317.393 1.411 0 40 DDAB Cc1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 424154 JGQFVQONLWSKRN-UHFFFAOYSA-N 323.352 1.315 0 40 DDAB O=C(Cn1nnc2ccccc21)NCc1ccc2c(c1)OCO2 21887201 BWQIWJWAEURBEU-UHFFFAOYSA-N 310.313 1.476 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 21875523 UTCXGZDQOZGNRR-NEPJUHHUSA-N 309.410 1.792 0 40 DDAB Cc1cc(=O)c(C(=O)NC[C@H]2CCOC2)nn1-c1ccccc1 41372043 LTGPHWPWAULLBH-CYBMUJFWSA-N 313.357 1.307 0 40 DDAB CCCN(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 72270386 QXFMVVJXZPXIOU-OAHLLOKOSA-N 303.406 1.246 0 40 DDAB CC(C)Sc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1 1598443 HRMQAFQSHFMXIA-UHFFFAOYSA-N 316.386 1.962 0 40 DDAB CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)[C@H](COC)OC 1646398 LCUMRFCUJAIYHO-HOTGVXAUSA-N 324.421 1.797 0 40 DDAB CCc1n[nH]c([C@@H]2CN(CCCc3cnn(C)c3)CCO2)n1 78892662 VSUNWZFAJDWPAH-ZDUSSCGKSA-N 304.398 1.107 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)C(N)=O 78965168 QWYDDPLEYCOOOJ-ZANVPECISA-N 316.361 1.675 0 40 DDAB NC(=O)c1ccsc1NC(=O)CN1CCc2ccccc21 7600921 ZHXPJIFVPYLCHY-UHFFFAOYSA-N 301.371 1.848 0 40 DDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 23325245 JPTLIPYNCWEADV-UHFFFAOYSA-N 308.403 1.074 0 40 DDAB O=C(Nc1nccn(C2CC2)c1=O)NC1Cc2ccccc2C1 97140970 RCQLWEZDBLLIDM-UHFFFAOYSA-N 310.357 1.867 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)CCc1ccc2c(c1)OCO2 42533348 IYYVZEHWNBXQAD-LBPRGKRZSA-N 301.346 1.749 0 40 DDAB CC(C)NC(=O)NC(=O)[C@@H](C)Nc1ccn(CC(F)(F)F)n1 97148563 UNQSOUCZTQKUNI-MRVPVSSYSA-N 321.303 1.480 0 40 DDAB CCCNC(=O)c1nnc2ccc(N3CCOCC3)cc2n1 57280154 DPTGJIVNFJPQET-UHFFFAOYSA-N 301.350 1.001 0 40 DDAB CN(C)[C@@H](CNC(=O)NCCc1cnn(C)c1)c1ccco1 43137770 ZADIYKGLOULVGT-ZDUSSCGKSA-N 305.382 1.158 0 40 DDAB CC(C)=CCC[C@H](C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100641417 AYRGGDSIYYYSRA-TVRNETQVSA-N 305.374 1.988 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(F)c2)C1 57318828 BZEGGEYKKBCJNX-OCCSQVGLSA-N 322.380 1.829 0 40 DDAB C[C@H](CN1CCCC1=O)NC(=O)Cc1cn2ccsc2n1 55812390 NQSBHRHJEHROPE-SNVBAGLBSA-N 306.391 1.065 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cn1 25310875 CSQWTXVCJJDLCH-CQSZACIVSA-N 324.384 1.900 0 40 DDAB CCc1cc2c(NC3CCN(CC(N)=O)CC3)ncnc2s1 43536301 HKIAPKNUURGPQZ-UHFFFAOYSA-N 319.434 1.615 0 40 DDAB Cc1cc([C@H]2CCCN([C@H](C)C(=O)Nc3ncccn3)C2)n[nH]1 107324119 QIYBBACTGKAZKG-OLZOCXBDSA-N 314.393 1.715 0 40 DDAB CN(C)[C@@H](CNC(=O)/C=C/c1cnn(C)c1)c1ccsc1 25812938 DPXDCDYOPXYKRR-NNTXTVRGSA-N 304.419 1.914 0 40 DDAB O=S(=O)(NC1CC2(CCN(Cc3ccncc3)C2)C1)C1CC1 108525831 BDQWOZDZAAQZBJ-UHFFFAOYSA-N 321.446 1.518 0 40 DDAB CN(C)S(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccccc1 107943695 XCOVJDAYWZETDA-UHFFFAOYSA-N 313.423 1.214 0 40 DDAB CCn1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc21 44721942 SGRVRSCYIUWJKT-LBPRGKRZSA-N 320.414 1.826 0 40 DDAB CC[C@H](CO)NC[C@H](O)COCC12CC3CC(CC(C3)C1)C2 27666060 FSGYTNOMFYRJPS-SBZGPEHISA-N 311.466 1.941 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1 44892795 HIDOIONWXDWOLH-SECBINFHSA-N 304.268 1.114 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCn1cccn1 44893741 BTRPKHOHLYXDKA-UHFFFAOYSA-N 301.346 1.703 0 40 DDAB COc1ccc2cc(C(=O)NC3CCN(C(C)=O)CC3)[nH]c2c1 44907661 PEHCSNHAQPLSGP-UHFFFAOYSA-N 315.373 1.917 0 40 DDAB O=C(NCc1ccnc(N2CCCCC2)c1)N1CCOCC1 44967685 XDFLZYASRUFIJA-UHFFFAOYSA-N 304.394 1.614 0 40 DDAB C[C@H](C(=O)N(C)Cc1ccc(Br)o1)S(C)(=O)=O 44952243 LPRCPDGMGKEBAA-SSDOTTSWSA-N 324.196 1.434 0 40 DDAB CC[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CCO1 44918535 FXXICJKVJQHIJU-AWEZNQCLSA-N 313.357 1.484 0 40 DDAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2C(=O)CNC2=O)c1 28297067 ULPFTDDPRVFNTO-LBPRGKRZSA-N 306.362 1.410 0 40 DDAB O=C(CCn1cc(Cl)cn1)N1CCN(c2ccccn2)CC1 28227816 LYGVUGKVSCHWKT-UHFFFAOYSA-N 319.796 1.670 0 40 DDAB Cc1ccc2nc(Cn3cnc4ccsc4c3=O)cc(=O)n2c1 10874938 UOCFONRDBZCSLZ-UHFFFAOYSA-N 324.365 1.823 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2OC)C1 48333565 APAAGJMPAMQKDI-CQSZACIVSA-N 320.389 1.975 0 40 DDAB CCn1cc(C(=O)N[C@@H](C)COC)c(=O)c2cc(OC)ccc21 22236026 PUINNKGAXVLCGQ-NSHDSACASA-N 318.373 1.795 0 40 DDAB COc1ccc2c(c1OC)C(=O)N(c1nc(C(C)C)n[nH]1)C2=O 36621668 YXGNSXQDGBPNEI-UHFFFAOYSA-N 316.317 1.746 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 45749331 WCHUGAFDUQEUKF-ABAIWWIYSA-N 320.364 1.863 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 29189480 DMYLJLPXROWXQP-GFCCVEGCSA-N 322.386 1.587 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc21 2649294 CGYMHBGPWDPCKR-UHFFFAOYSA-N 311.219 1.901 0 40 DDAB CSc1nc2ccc(NC(=O)Cn3cnnn3)cc2s1 3407423 QIHWEJCKLBAIKD-UHFFFAOYSA-N 306.376 1.643 0 40 DDAB O=c1oc(-c2ccco2)nn1Cc1cccc2c1OCCO2 63562284 LZHGBYJSEZGLLS-UHFFFAOYSA-N 300.270 1.916 0 40 DDAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NC1CCOCC1 64299806 AFOBLZPZBPMVGH-UHFFFAOYSA-N 316.354 1.106 0 40 DDAB O=C(COc1ccccc1Cl)NCCNC(=O)c1ccco1 5015398 ARXMYHIOMKZPSI-UHFFFAOYSA-N 322.748 1.858 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)CSc1nncc(=O)[nH]1 5237482 YPDJKWYKPXJQJV-UHFFFAOYSA-N 310.766 1.858 0 40 DDAB COc1ccc([C@H](CNC(=O)[C@H](C)n2cncn2)N(C)C)cc1 65415388 HONXRQPGBBYOFW-WFASDCNBSA-N 317.393 1.267 0 40 DDAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCOCC2)cc1 14095201 ZOWSTRNDIHOADL-UHFFFAOYSA-N 318.402 1.775 0 40 DDAB Cc1ccc(CNC(=O)CCC(=O)NCc2ccccn2)o1 4561710 RPHUIPKBYSYXAJ-UHFFFAOYSA-N 301.346 1.696 0 40 DDAB CN(C)S(=O)(=O)CCC(=O)OCCOc1ccc(F)cc1 96012717 RQTSAHWLEKZTTH-UHFFFAOYSA-N 319.354 1.029 0 40 DDAB O=C1CCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)=NN1 14228369 QKDPDVRFAYFNOS-UHFFFAOYSA-N 315.329 1.933 0 40 DDAB OCC1(CO)CO[C@H](/C(Br)=C/c2ccccc2)N1 20508532 NYBQWBYMDVCFJA-HUMZTAOYSA-N 314.179 1.092 0 40 DDAB C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)[C@H]1COCCO1 66885757 UYHPXUYLMPSWDZ-XHDPSFHLSA-N 308.330 1.695 0 40 DDAB Cc1ccc(-n2nc(C)c(C(=O)N3CCOCC3)n2)c(C)c1 15630258 HIWSVJZFXCDPQH-UHFFFAOYSA-N 300.362 1.665 0 40 DDAB C[S@](=O)CCNC(=O)N1CCSC2(CCCCC2)C1 96456725 VXMXALADOWBNIX-LJQANCHMSA-N 304.481 1.826 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 69294558 ZEYZYJZJFHVQHE-DOMZBBRYSA-N 311.403 1.456 0 40 DDAB C[C@@H]1C[C@@H](OC(=O)c2ccc(NC(=O)C3CC3)cc2)C(=O)O1 71833130 UQOGUIFZZKKNKR-NOZJJQNGSA-N 303.314 1.896 0 40 DDAB CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1 8289843 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CCN(CC)C(=O)CNC(=O)N[C@@H]1CCc2cc(F)ccc21 69978279 BQXUVLPCBXFFOA-CQSZACIVSA-N 307.369 1.981 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)n1 72253257 MYYNXSVYDXIOSE-LSDHHAIUSA-N 322.409 1.254 0 40 DDAB CCCn1nnnc1CSc1nnc(-c2ccncc2)n1C 18489773 ROJNTJABHVYAAV-UHFFFAOYSA-N 316.394 1.566 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(C)n(C)n3)C2)n1 72235515 GQINGJMIKOUSLC-CYBMUJFWSA-N 302.382 1.414 0 40 DDAB CS(=O)(=O)C[C@H](NC(=O)NCc1ccco1)c1ccccc1 95439440 GSLZOPQZKCHYDT-AWEZNQCLSA-N 322.386 1.865 0 40 DDAB N[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCCC2=O)CC1 95426500 FBCOGPNABXQEJV-INIZCTEOSA-N 315.417 1.170 0 40 DDAB CN1CCN(C(=O)c2ccc(=O)n(C)c2)[C@H](c2ccccc2)C1 95949434 WJGRPNIUESAZSA-INIZCTEOSA-N 311.385 1.514 0 40 DDAB O=C(COC[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 75126126 XYZQMYZMOZHVCX-VIFPVBQESA-N 320.267 1.528 0 40 DDAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cn2)cc1 27644965 SKNJQMMAHUIABB-UHFFFAOYSA-N 319.386 1.941 0 40 DDAB CCOc1cc2c(cc1CNC(=O)N(CC)CCO)O[C@H](C)C2 89969217 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40 DDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCC(C)C 198482892 YDYFONPWCYEVCG-UHFFFAOYSA-N 310.419 1.822 0 40 DDAB CN(C)S(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 225450461 ZNGPURCOIWVPSN-UHFFFAOYSA-N 319.377 1.283 0 40 DDAB COC(=O)CN1CCN(C(=O)C2CCC(F)(F)CC2)CC1 195579317 UKLYKBLQJYMHDF-UHFFFAOYSA-N 304.337 1.129 0 40 DDAB CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O 19371138 SNTXEDZIOQLSFR-UHFFFAOYSA-N 302.374 1.808 0 40 DDAB biogenic CC(C)[C@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)C(N)=O 135544741 CQFZAFVMVRQCCK-JSGCOSHPSA-N 323.368 1.849 0 40 DDAB CSc1nc(O)nc(C)c1C(=O)N(C)Cc1nccs1 532298912 JUXUCQMEFZJZAR-UHFFFAOYSA-N 310.404 1.941 0 40 DDAB NC[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 332098187 CJZDUGYIBVDDER-OCCSQVGLSA-N 321.400 1.180 0 40 DDAB O=C(NCCn1nccn1)c1ccc(OC(F)(F)F)cc1 238848548 IXKQWUGVFHCLII-UHFFFAOYSA-N 300.240 1.607 0 40 DDAB CS(=O)(=O)NCCCN1CCc2ccc(Cl)cc2C1 90615746 WSPXTUOHCSFARR-UHFFFAOYSA-N 302.827 1.637 0 40 DDAB CC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12 96156960 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Cc1nc(NCCNC(=O)c2ccccn2)cc(-n2cccc2)n1 85472154 KYLUQKCYSKBILZ-UHFFFAOYSA-N 322.372 1.813 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2cncc(C)n2)CC1 257235386 GXPVXOCTBIRCIV-INIZCTEOSA-N 316.405 1.502 0 40 DDAB O=C(NCC1CCOCC1)[C@@H]1CN(c2ccc(F)cc2)CCN1 257315011 UZNBWIDUTQELST-INIZCTEOSA-N 321.396 1.147 0 40 DDAB Oc1cc(CC[C@@H]2CN(Cc3cscn3)CCO2)ncn1 257245487 IPSDQHOQXDYWHM-CYBMUJFWSA-N 306.391 1.472 0 40 DDAB O=C(c1ccccc1)N1CC2(CO[C@@H](Cc3cncnc3)C2)C1 257315505 VBSFRIGWHCBPBU-INIZCTEOSA-N 309.369 1.950 0 40 DDAB CC1(C)CC[C@@H](CNC(=O)c2cccc(OCC(=O)O)c2)O1 263575803 POZZLBXNEMMYCE-ZDUSSCGKSA-N 307.346 1.837 0 40 DDAB Cn1cc(N2CC[C@@H](N3CCC=C(c4cccnc4)C3)C2=O)cn1 289472176 ZBQUNZINPWSNBL-QGZVFWFLSA-N 323.400 1.710 0 40 DDAB C[C@]1(C(=O)O)CCCN1S(=O)(=O)CC1Cc2ccccc2C1 646043139 KQKIMSCJIPMJSW-MRXNPFEDSA-N 323.414 1.670 0 40 DDAB Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2c(Cl)cnn2C)cn1 390835507 OVMQOGCYKCQGOR-WFASDCNBSA-N 323.828 1.895 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2ccncn2)C1 585276403 JNQLSAGDVKWRFY-KRWDZBQOSA-N 313.357 1.441 0 40 DDAB COc1ccccc1S(=O)(=O)N[C@@H]1COc2ccccc2C1 56057643 LPYSRFAHEKMMBD-ZDUSSCGKSA-N 319.382 1.977 0 40 DDAB CCN1CCN(C[C@@H](C)CNC(=O)N2CCSCC2)CC1 74657609 DAVUSICCSFMSCW-AWEZNQCLSA-N 314.499 1.018 0 40 DDAB COc1ccsc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76052583 AVLLSFWJOJVKPJ-RYUDHWBXSA-N 310.419 1.549 0 40 DDAB Cc1nccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 78115798 RHGRDWYHWYEEBU-OAHLLOKOSA-N 312.373 1.625 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)no1 78881230 GERWQXLKFBYAES-GHMZBOCLSA-N 321.381 1.086 0 40 DDAB C[C@@H]1CCN(C(=O)NCCc2cccc(C(=O)N(C)C)c2)C1 78953149 PNZREFXSCVOWBW-CYBMUJFWSA-N 303.406 1.982 0 40 DDAB Cc1nn(CC(=O)NC2(C(N)=O)CCCCC2)c(C)c1Cl 79819121 PKHXZDSWJCPWSR-UHFFFAOYSA-N 312.801 1.458 0 40 DDAB CC(C)(C)n1ncc2c(N3CCCC[C@@H]3CC(N)=O)ncnc21 91016863 KAIPFGXWRMINKI-LLVKDONJSA-N 316.409 1.816 0 40 DDAB Cc1c(CC(=O)N2CCN(C)C[C@H]2C)nnn1-c1ccccc1 89556380 FIVDTGKZRDLPSJ-CYBMUJFWSA-N 313.405 1.281 0 40 DDAB COc1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1OC 83975867 OHMWUFNMSXPCLO-CYBMUJFWSA-N 319.279 1.843 0 40 DDAB C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)O 95424750 FFPXNBSKWKKXNN-WCFLWFBJSA-N 310.394 1.441 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCSCC1 40540548 PTDODNKIVKAMDD-UHFFFAOYSA-N 304.379 1.551 0 40 DDAB O=S1(=O)CC[C@@H](NCc2cccc(Br)c2)C1 19772576 UGLNALCWPKTKBO-LLVKDONJSA-N 304.209 1.726 0 40 DDAB CS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)Cl)cc1 153069169 KJPQRDNDCJXQHJ-UHFFFAOYSA-N 311.737 1.580 0 40 DDAB O=C(NCCN1CCC(O)CC1)NCc1ccc(Cl)cc1 206610401 QYGXVXHMKSZGPH-UHFFFAOYSA-N 311.813 1.596 0 40 DDAB CC(C)[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)N(C)C 106460711 WJOHCMBLJUDNHK-HNNXBMFYSA-N 324.856 1.970 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCc1ccccc1 5293229 DAQVCGNFTDQTLV-UHFFFAOYSA-N 315.373 1.210 0 40 DDAB CCc1cnc(N2CCN(c3cc(OC)ncn3)CC2)nc1 1888859900 MBDVULWNACUMCN-UHFFFAOYSA-N 300.366 1.164 0 40 DDAB C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F 107323946 JUXIRKQVBLRPSP-LDYMZIIASA-N 306.790 1.708 0 40 DDAB O=C(O)c1c[nH]nc1S(=O)(=O)Nc1cccc(Cl)c1F 37731819 RBMCRQVYWFDFAK-UHFFFAOYSA-N 319.701 1.701 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCc2onc(COCC3CC3)c2C1 1565546355 YSXMFSQCHKRLEC-VIKVFOODSA-N 318.373 1.378 0 40 DDAB CCc1ccc(C(=O)N2C[C@H]3OCCN(C(C)C)[C@@H]3C2)cn1 1565548604 GDDGLMIYOMPHBF-HZPDHXFCSA-N 303.406 1.578 0 40 DDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccccc1 4941451 BQNDYKRPTNTPPJ-CYBMUJFWSA-N 304.346 1.427 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)nc3ccccn3c2=O)cc1 8604432 IXURUOIBUUGCFG-UHFFFAOYSA-N 309.325 1.639 0 40 DDAB CC(C)CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 10220972 PEZRNJKWDHGVOU-UHFFFAOYSA-N 303.362 1.524 0 40 DDAB O=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1ccon1 575608835 LEJXJCWMXDBZNR-UHFFFAOYSA-N 317.326 2.251 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c(C)c1 15465418 RZECEAYIQWSMTA-HUUCEWRRSA-N 316.401 1.952 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N(C)C)c2)C1 40087749 YDNPUEOLTCFHPL-LBPRGKRZSA-N 312.439 1.214 0 40 DDAB Cc1cc(NC(=O)CN2CCN(Cc3cccs3)CC2)on1 40488776 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Cc1nc(CN2CCO[C@H](CNc3cccnn3)C2)oc1C 78894186 UEIVPYAAUIPEQU-CYBMUJFWSA-N 303.366 1.394 0 40 DDAB COc1csc(C(=O)NCC(=O)NCc2ccccc2)c1 78974249 WACIZZULNZALAB-UHFFFAOYSA-N 304.371 1.803 0 40 DDAB CC(C)CCNC(=O)C(=O)NCCOc1ccc(Cl)cc1 3094727 WAHAQCMPVCDAHX-UHFFFAOYSA-N 312.797 1.997 0 40 DDAB CCN(CC)CCNC(=O)Nc1c[nH]c2ccccc2c1=O 4907268 QYUYFPARGAUBJN-UHFFFAOYSA-N 302.378 1.991 0 40 DDAB CCN1C(=O)[C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C=CC[C@H]2C1=O 104105396 DAAXMSLUFDAMMF-RDBSUJKOSA-N 316.332 1.505 0 40 DDAB NC(=O)C1(NS(=O)(=O)c2cccc3ccccc23)CCCC1 83994967 YHKGGUDHYMLORY-UHFFFAOYSA-N 318.398 1.916 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6537097 QKFVFXPSQXCSJY-KKHAAJSZSA-N 308.359 1.532 0 40 DDAB COc1cc2c(nn1)CCN(C[C@@H](O)c1cccc(F)c1)C2 83925438 ZDZLWENMCCQDNE-OAHLLOKOSA-N 303.337 1.716 0 40 DDAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)NC(N)=O)cs1 8746970 AUUKTZGEXPJZJA-UHFFFAOYSA-N 316.386 1.676 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1c1cccc(F)c1 56127639 FCHJORPMVKWERI-AWEZNQCLSA-N 314.382 1.540 0 40 DDAB CC(=O)N1CCCN(CC(=O)N2CCc3sccc3C2)CC1 54867469 SGMZXMNOXGVLFS-UHFFFAOYSA-N 321.446 1.187 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCC[C@@H]2CCCO2)c1 24433579 MLFVURQDFUDQOL-LBPRGKRZSA-N 313.375 1.321 0 40 DDAB C[C@@H](NC(=O)Nc1ccccn1)c1ccc(S(N)(=O)=O)cc1 43160377 AZXASKKNMXIVCL-SNVBAGLBSA-N 320.374 1.612 0 40 DDAB CN(C)c1nc(N)nc(CSc2nc3ccccc3[nH]2)n1 24949620 JGRQHHIJZCKMJE-UHFFFAOYSA-N 301.379 1.688 0 40 DDAB CC(C)(C)CCNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 106510841 WAXXTNBBBBSXIR-CDGCEXEKSA-N 304.390 1.346 0 40 DDAB O=C1[C@@H](N2CCC[C@H](c3ccn[nH]3)C2)CCN1CC(F)(F)F 106910875 GTWBYGOQQCWMIM-JQWIXIFHSA-N 316.327 1.752 0 40 DDAB COC(=O)[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C 35219295 JBZBQXYWZHAVAB-JTQLQIEISA-N 307.272 1.216 0 40 DDAB COc1cccc2c1N(CCN1C(=O)NC(C)(C)C1=O)CCC2 26339753 WZWGZJJKPCZGSW-UHFFFAOYSA-N 317.389 1.778 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1C(=O)N(C)C 27566190 JLTOQLOPBZISPY-HNNXBMFYSA-N 317.389 1.380 0 40 DDAB COC[C@H](C)NC(=O)CCn1c(C)nc2ccccc2c1=O 29754222 XYJIGTBYGJVPFT-NSHDSACASA-N 303.362 1.246 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2cc(C)no2)CC1 44890407 BEIDMSCJIHFNCQ-UHFFFAOYSA-N 321.406 1.355 0 40 DDAB Cc1csc2nc(CN(CC(N)=O)CC(C)C)cc(=O)n12 44898706 SRUCIBNCAYUISL-UHFFFAOYSA-N 308.407 1.008 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2n1 58289578 IBAGSNMZCBOEIU-HUUCEWRRSA-N 311.385 1.828 0 40 DDAB O=C1COc2ccc(NS(=O)(=O)c3cccs3)cc2N1 25694581 IIXPSQRBOHWSKO-UHFFFAOYSA-N 310.356 1.880 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)NCc1csc(C)n1 44967332 JKKUAWLTVJLEFM-CYBMUJFWSA-N 321.402 1.993 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCNS(C)(=O)=O)o1 44916475 AYQIPVLGDVZBMQ-PWSUYJOCSA-N 314.407 1.301 0 40 DDAB COC(=O)C1=C(N)N(c2ccc(N3CCCCC3)cc2)C(=O)C1 3327123 GGDPOCVJVRMLSI-UHFFFAOYSA-N 315.373 1.757 0 40 DDAB NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 45180416 CBDYDLVIYQLVJU-UHFFFAOYSA-N 322.411 1.594 0 40 DDAB CCCCC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 36391930 SNDZMWKFXJBCSF-UHFFFAOYSA-N 317.433 1.881 0 40 DDAB COc1ccc(CNC(=O)CCNC(=O)c2ccco2)cn1 10990969 NGNGPDJBFDEJBM-UHFFFAOYSA-N 303.318 1.120 0 40 DDAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)O)C1=O 36722481 MBKPMQYFUMHDOR-LBPRGKRZSA-N 317.128 1.845 0 40 DDAB in-vitro CCc1nnc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)s1 2626581 SUOPTUDKIJPIIO-SNVBAGLBSA-N 303.343 1.821 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2ccccc2NCCO)no1 2654719 DZLLMCRNBCOLJE-UHFFFAOYSA-N 319.317 1.183 0 40 DDAB C[C@@H](CNC(=O)N1CC[C@@H](C(N)=O)C1)COCc1ccccc1 65494018 ODNXVZHOYBTQFZ-DZGCQCFKSA-N 319.405 1.356 0 40 DDAB COCCOc1ccc(S(=O)(=O)Nc2nccs2)cc1 65554864 XHXXCZJEHYSBLH-UHFFFAOYSA-N 314.388 1.969 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1cccc3c1OCCCO3)CC2 65542871 IWRYEXDRPGJGGQ-AWEZNQCLSA-N 314.389 1.852 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)NCc1ccc(Cl)cc1 14119829 DWYRUBJOFQJDFM-QMMMGPOBSA-N 311.798 1.661 0 40 DDAB COc1cc2c(cc1CNC[C@H]1CN(C)CCO1)O[C@H](C)C2 65611290 NATVBFDLAFDMRR-DOMZBBRYSA-N 306.406 1.439 0 40 DDAB CC(C)(CO)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 4699286 MZXJKAXGZNYFON-UHFFFAOYSA-N 300.399 1.521 0 40 DDAB COc1cc(CC(=O)N2CCO[C@H](c3ncon3)C2)ccc1C 96011942 FNKNXYQXHGNMJI-AWEZNQCLSA-N 317.345 1.529 0 40 DDAB CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1ccc2c(c1)OCO2 408730519 HESJMLMWAXXSJR-ZDUSSCGKSA-N 303.318 1.421 0 40 DDAB Cn1ccnc1[C@](O)(CCNCc1ccco1)C(F)(F)F 67698939 TZCUGHDUFGKNST-GFCCVEGCSA-N 303.284 1.943 0 40 DDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)o1 9478625 DNWMNPQQHRWAGK-QMMMGPOBSA-N 315.289 1.438 0 40 DDAB O=C(CNC(=O)c1ccsc1)NCC1(O)CCCCCC1 81761709 QSVVCNCMYMPAPT-UHFFFAOYSA-N 310.419 1.679 0 40 DDAB Cc1noc(C)c1CN1CCCc2ccc(S(N)(=O)=O)cc21 96444958 OICOXZCJZZXVIN-UHFFFAOYSA-N 321.402 1.892 0 40 DDAB Cc1cccc(C(=O)NCCNC[C@H]2CNc3ccnn3C2)c1 69454128 IFDBZYBWVVRDOH-AWEZNQCLSA-N 313.405 1.253 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccn(-c3ccccc3)n1)C2 69485569 LLWOVMAJYFJRRD-UHFFFAOYSA-N 308.345 1.428 0 40 DDAB COc1ccc(-c2noc(=O)n2Cc2cc(C)on2)cc1OC 69451379 GBXZUQSJRYEWHW-UHFFFAOYSA-N 317.301 1.865 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H](C)n1cnc3ccccc31)C2 69445570 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CC(C)Nc1ncccc1C(=O)N1CCC[C@H](n2cncn2)C1 72293118 AIEXWRNXHVMAJI-ZDUSSCGKSA-N 314.393 1.971 0 40 DDAB CC(=O)N1CCCN(C(=O)CCNc2ccccc2C)CC1 84244250 HSJSTQUJGZYWQR-UHFFFAOYSA-N 303.406 1.878 0 40 DDAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC[C@H](O)C1 97136111 PBRUJRVONZVWIZ-NWDGAFQWSA-N 302.296 1.936 0 40 DDAB COc1cc2nc(N3CCC[C@H](OC)C3)nc(N)c2cc1OC 95394816 NAAPLTJBDBCBSC-JTQLQIEISA-N 318.377 1.844 0 40 DDAB NC(=O)Cn1cc(NC(=O)/C=C/c2ccnc3ccccc23)cn1 95398241 RPFWEKAGSAIOGW-AATRIKPKSA-N 321.340 1.569 0 40 DDAB CN(CCS(C)(=O)=O)C(=O)CCc1ccc(F)cc1F 95433633 QQPTZQVRILIHAK-UHFFFAOYSA-N 305.346 1.400 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1csc(-c2ccsc2)n1 88374754 LBWJFZRHBJTVRJ-SNVBAGLBSA-N 324.383 1.797 0 40 DDAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc[nH]n1 95991628 RZABCDXQWJZMIN-GFCCVEGCSA-N 322.727 1.738 0 40 DDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCNC(=O)CC2)c1 74769230 IFILELRORQPWOS-CQSZACIVSA-N 303.406 1.766 0 40 DDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3cccs3)C2)C1=O 89914259 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Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)[C@H]2C[C@@H]2C)C3)n1 575404207 MRSMLDWBUCSNCR-YUTCNCBUSA-N 317.389 1.580 0 40 DDAB O=C(c1ccccn1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575607462 UHBNQTMIQXDHDZ-LLVKDONJSA-N 304.737 1.819 0 40 DDAB O=C(Cn1ccnc1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 585275370 AXHRCNAXXNUASL-GDBMZVCRSA-N 317.364 1.474 0 40 DDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 55485257 UUWLTRVSJCJWQT-GXTWGEPZSA-N 303.406 1.917 0 40 DDAB CC(C)(NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(N)=O 57050823 KZYDHSHWWDZTFD-UHFFFAOYSA-N 306.753 1.724 0 40 DDAB FC(F)(F)c1cc(OC2CN(CCn3nccn3)C2)ccn1 1776009566 JAWXSMOGPUEROY-UHFFFAOYSA-N 313.283 1.455 0 40 DDAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1CCO 95999912 FPMROSGPRDNFKG-MRXNPFEDSA-N 319.380 1.994 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N2CCN=C2c2ccccc21 12182967 KGRAUVSLWDIPKC-UHFFFAOYSA-N 300.362 1.557 0 40 DDAB COc1ccccc1-n1nnnc1SCC(=O)NC(C)C 5015477 RHFMGKRJMOGFFD-UHFFFAOYSA-N 307.379 1.288 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C12CC2)c1ccccc1 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NC(=O)CCn1ccc(Nc2ncc(Br)cn2)n1 71910628 HLXASCVEUDFVIH-UHFFFAOYSA-N 311.143 1.055 0 40 DDAB COc1cc(CN[C@@H](C)Cn2ccnc2)cc2c1OCCO2 30909804 OGNYMSKAKWFKJO-LBPRGKRZSA-N 303.362 1.841 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)o1 31553410 AYLYTYVJTFHSKJ-UHFFFAOYSA-N 308.359 1.160 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cccnc1N1CCCC1 40534364 GVVUWFVRRYLCOL-AWEZNQCLSA-N 318.421 1.132 0 40 DDAB COCCCN1CCN(Cc2cc(OC)ccc2OC)CC1 51508047 RNQJVKPZCFVBAE-UHFFFAOYSA-N 308.422 1.858 0 40 DDAB Cn1cc(C2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cn1 97202849 ZJIUKMMBDZPHDZ-UHFFFAOYSA-N 323.400 1.808 0 40 DDAB CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 140442 DSGNZBNOZKLUII-UHFFFAOYSA-N 320.374 1.872 0 40 DDAB COc1ccc(-n2ncc(C(=O)N(C)C)c2C(F)(F)F)nn1 46737469 MTPDJONNLBTBSX-UHFFFAOYSA-N 315.255 1.392 0 40 DDAB COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCCC2)cc1OC 12137713 OHUYZTPSQJOVAE-UVTDQMKNSA-N 318.373 1.803 0 40 DDAB CCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1 410549 DABFOGUONKRICO-UHFFFAOYSA-N 306.395 1.490 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C12CCCCC2 76042186 HWWOGQHZVQBDQP-ZIAGYGMSSA-N 323.437 1.646 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)N2CCCC2)C1 41686900 ZOLYUHISVXMXQU-KBPBESRZSA-N 309.410 1.209 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)N1CCC[C@@H](C)C1)C(=O)CO2 1362053 MPFHCVDZGYTNDB-CYBMUJFWSA-N 302.374 1.979 0 40 DDAB O=C(COc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 79018902 NUQLWNUIOCGGJV-HNNXBMFYSA-N 304.390 1.246 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccncc2)C1 2527373 WICUPPYAMZXFKJ-CHWSQXEVSA-N 321.377 1.806 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1nc2c(s1)CN(C)CC2 23608561 ZFYJNLRXYJUSTQ-UHFFFAOYSA-N 306.391 1.917 0 40 DDAB CO[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)c1ccccc1 42749995 MZADXVQMWMLWDM-INIZCTEOSA-N 304.390 1.749 0 40 DDAB CCOCCCNC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 47676627 GYNDODMGOUOHIC-NSHDSACASA-N 321.377 1.804 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 23152410 OFVCOTNVJVTSBU-LBPRGKRZSA-N 318.373 1.416 0 40 DDAB CC(=O)N(C(C)=O)n1c(C)nc2c(sc3ncccc32)c1=O 9482523 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O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N=C(O)[C@@H]2[C@H]2C=CC=NN12 5101113 JCEBWQSDVUEELZ-LPWJVIDDSA-N 313.288 1.346 0 40 DDAB C[C@H](NC(=O)N1CCC[C@H](N2CCCC2)C1)c1nncn1C 65437147 KIRQDNRTXVERLI-STQMWFEESA-N 306.414 1.146 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc2c(c1)OCO2 65474783 NOIALXCKAUPMFA-UHFFFAOYSA-N 302.378 1.813 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1 14140769 VEKLFKSCKIQOKW-OAHLLOKOSA-N 303.406 1.795 0 40 DDAB Cc1ccn2ncc(C(=O)NCc3ccc4c(c3)OCCO4)c2n1 68648766 BLHVZOQDSRJSGO-UHFFFAOYSA-N 324.340 1.739 0 40 DDAB CC(C)(C)OC(=O)C(C[C@@H](N)C(=O)O)C(=O)OC(C)(C)C 38601563 QGYDDDZJFUWBJQ-SECBINFHSA-N 303.355 1.088 0 40 DDAB in-vitro Cc1noc(C)c1N(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 81602727 WBJUIIDUNYUYSU-KBPBESRZSA-N 307.394 1.898 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(-n3cnnc3)cc2)cn1 71796674 SEWFMUTYOFYFBH-MRXNPFEDSA-N 322.372 1.978 0 40 DDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NC(C)C)CC2=O)c1 8266992 MNTICXWVWSGJOK-NSHDSACASA-N 306.362 1.581 0 40 DDAB CC(=O)Nc1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 8327832 XSWCYFREHVNNCD-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB Cc1ccc2oc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc2n1 69416008 NTYJAJHEWWTONE-CHWSQXEVSA-N 317.389 1.975 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](Cn3cncn3)C2)on1 69652432 MWJRJLOVAAJAQM-STQMWFEESA-N 318.381 1.314 0 40 DDAB C[C@H](O)C[C@H]1COCCN1C(=O)c1cnc2ccccc2n1 185969830 FGJPPEQHIFHXTH-RYUDHWBXSA-N 301.346 1.242 0 40 DDAB O=C(Nc1nncs1)N[C@@H](CO)Cc1c[nH]c2ccccc12 69780565 IFPPPGHVKBQGOE-SNVBAGLBSA-N 317.374 1.745 0 40 DDAB COCCNC(=O)[C@H](C)SCc1nc(N)c2ccccc2n1 69736930 YXYPNOPUFJFYMQ-JTQLQIEISA-N 320.418 1.596 0 40 DDAB C[C@@H](Cn1cccn1)NC[C@H](O)CN1CCc2ccccc2C1 71877174 IENVCDXVNNQILO-YJBOKZPZSA-N 314.433 1.280 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H](C)n2cccn2)CC1 71820928 XRMLOPKDWKZYQQ-ZDUSSCGKSA-N 317.393 1.393 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2ncccc2O)CC1 96998688 KGOZMKGYTFGILU-UHFFFAOYSA-N 313.357 1.758 0 40 DDAB Cn1nnc2ccc(C(=O)N3CCc4ccccc4[C@@H]3CO)cc21 97097704 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CCC(=O)NCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 95956570 GMIBWORYYLOHBT-LBPRGKRZSA-N 319.409 1.194 0 40 DDAB CC(C)[C@@H](NC[C@H](O)c1ccccc1F)C(=O)N1CCOCC1 95985488 BSPCJQOMTWBGKG-JKSUJKDBSA-N 324.396 1.332 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N(C)CCC2CCOCC2)c1 95973704 GIIXWMXWPRKMSX-UHFFFAOYSA-N 315.439 1.901 0 40 DDAB Cc1ccc(C)c(OCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 85994075 KCQOMMCLFSSBHO-ZDUSSCGKSA-N 316.357 1.088 0 40 DDAB COc1ccc(C[C@H](C)C(=O)NCc2nccc(N)n2)cc1 89506336 PBQOOGPUNXFVHI-NSHDSACASA-N 300.362 1.562 0 40 DDAB Cc1cccc(NC[C@H]2CCCN2C(=O)Cn2cncn2)n1 75141342 DNYUGUCGVJIRFW-CYBMUJFWSA-N 300.366 1.085 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)OCC(=O)NC2CCCCC2)cn1 75136800 ORPHGXGVWVXVMH-UONOGXRCSA-N 305.378 1.516 0 40 DDAB O=C(OC[C@@H]1CCCCO1)[C@H]1CC(=O)N(Cc2ccccn2)C1 89883707 MYJIQPSNEOIJTH-ZFWWWQNUSA-N 318.373 1.542 0 40 DDAB Cc1noc(C)c1CC(=O)NCCc1ccc(C(=O)O)cc1 75572167 MGLAYSGYTCRPTF-UHFFFAOYSA-N 302.330 1.891 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)NCCn2ncccc2=O)c1 38510176 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1.180 0 40 DDAB COCCNC(=O)[C@@H](OC(=O)c1cccs1)c1cccnc1 35315718 VGISLZXLXGUWBD-ZDUSSCGKSA-N 320.370 1.804 0 40 DDAB Cc1nc(Cl)cc(NCC(C)(C)N2CCS(=O)CC2)n1 77210055 VGDDODMKIAIZGH-UHFFFAOYSA-N 316.858 1.693 0 40 DDAB Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)no1 79358770 JFANZXUINFLPCD-GFCCVEGCSA-N 318.333 1.889 0 40 DDAB CCc1nnc2ccc(=NC[C@@H]3NCCc4ccccc43)[nH]n12 561268012 YVGPNIDGJPKLSR-AWEZNQCLSA-N 308.389 1.408 0 40 DDAB Cc1nc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)no1 72367304 ZXWFAWTXDUVHFI-INIZCTEOSA-N 306.410 1.958 0 40 DDAB COc1ccnc(NCCNC(=O)c2ccc(Cl)cc2)n1 24212723 FMRIWNQVEJIRHI-UHFFFAOYSA-N 306.753 1.981 0 40 DDAB CC(C)(C)c1noc(-c2ccn3c(CC(=O)O)nnc3c2)n1 72221305 MYKHLYUGDBWEHH-UHFFFAOYSA-N 301.306 1.704 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(CC(F)(F)F)CC1 44451804 SWCXTMAUAJUMKJ-UHFFFAOYSA-N 308.325 1.555 0 40 DDAB O=C(NCCN1CCOCC1)c1snnc1-c1cccs1 225790761 RZYHDLMINCEVKG-UHFFFAOYSA-N 324.431 1.329 0 40 DDAB COc1cc(C)c(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1F 190414045 MEBDJDUJJASBFV-SNVBAGLBSA-N 319.340 1.871 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(c4ncc(F)cn4)C[C@H]3O2)n1 96042730 YXIJHPOQPWFQKD-MVWJERBFSA-N 305.313 1.664 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1)N1CCCO1 96057699 UVBGUJUWFRHXJK-ARFHVFGLSA-N 317.389 1.225 0 40 DDAB CN(C)c1ncc2c(c1C(=O)O)CCN(Cc1ccco1)C2 96067316 GEZULZRSKOYQET-UHFFFAOYSA-N 301.346 1.997 0 40 DDAB O=C1NCCc2ccc(S(=O)(=O)Nc3ccsc3)cc21 96435734 JUUXKTQNXNFNEB-UHFFFAOYSA-N 308.384 1.835 0 40 DDAB C[C@@H](CNC(=O)NCC[S@](C)=O)Oc1ccccc1F 96440351 XJZLAZCYYIVFIM-WVDJIFEKSA-N 302.371 1.271 0 40 DDAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCCS1(=O)=O 97094590 GKVFXWMWHFFPNA-UHFFFAOYSA-N 309.322 1.392 0 40 DDAB COC(=O)[C@@H](O)C1CCN(Cc2nccn2C(F)F)CC1 95432438 PJSOJVNTJYVVQU-NSHDSACASA-N 303.309 1.024 0 40 DDAB C[C@@H](NC(=O)c1ccncc1F)C1(N2CCOCC2)CCCC1 96449734 RCGWSNFKFMCVLI-CYBMUJFWSA-N 321.396 1.984 0 40 DDAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccoc1 239807981 KDZHVKCCFHMPTH-UHFFFAOYSA-N 304.325 1.855 0 40 DDAB CC(C)N1CCOC[C@]2(CN(Cc3nccs3)CCO2)C1 96049723 JIAKYBCCBCEFBJ-HNNXBMFYSA-N 311.451 1.455 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)Nc1cnn(-c2ccccc2)c1 96421987 OXVNHTJDOYBYIW-GFCCVEGCSA-N 311.349 1.674 0 40 DDAB COC[C@H](O)CN(C)Cc1nnc(-c2cccc(Cl)c2)o1 96424654 SIGQJNZNEKCNNX-GFCCVEGCSA-N 311.769 1.829 0 40 DDAB O=C(c1ccco1)N1CCO[C@H]2CN(Cc3ccoc3)C[C@H]21 96248737 RTXKTNJGLKGELC-HIFRSBDPSA-N 302.330 1.598 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242592282 OPPUZBNOEFEWEZ-LOWVWBTDSA-N 318.778 1.568 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2ccnn21 247840932 PWIHHWKESMAQOP-CYBMUJFWSA-N 302.334 1.036 0 40 DDAB CCn1cc(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)c(C)n1 257300707 RVJPYFAMYYYRLF-ZDUSSCGKSA-N 301.394 1.883 0 40 DDAB CC(C)(N)C(=O)N1CCC2(CC1)CO[C@H](Cc1ccccn1)C2 257210876 BWMSMPPVHLFWKN-OAHLLOKOSA-N 317.433 1.759 0 40 DDAB Cc1ncc(CN2CCOC[C@@H]2CCc2nccnc2C)cn1 257313654 UTNSKNBRIMOWSU-INIZCTEOSA-N 313.405 1.717 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cnccn1 257254003 KBENFQKMQDMIHU-CYBMUJFWSA-N 313.361 1.049 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1 257330608 XPBQWKUXDWCCMJ-NSHDSACASA-N 324.768 1.892 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C 257333606 YCGMOCWIDGDUAO-HNNXBMFYSA-N 303.406 1.101 0 40 DDAB CCc1ncnc(N2CCN(c3ccc(N)nc3)CC2)c1F 271044637 GPIGYIHEHWMVMJ-UHFFFAOYSA-N 302.357 1.482 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cnc(C(C)C)nc1 585288326 VKXWMRJMARBYOV-MCIONIFRSA-N 323.393 1.101 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1cc(C)oc1C 585094875 RMHYFUNLNMQSNR-GFCCVEGCSA-N 303.362 1.843 0 40 DDAB Cc1ccc(S(=O)(=O)NC2CC(C(=O)O)C2)cc1Cl 871637632 JCHYOKUEXFSTJS-UHFFFAOYSA-N 303.767 1.790 0 40 DDAB Cc1cn2nc(N[C@@H]3CCCc4c3cnn4CCO)sc2n1 71811047 XVVPDQOJRNQZES-LLVKDONJSA-N 318.406 1.778 0 40 DDAB O=C(CN1CCC(c2nnc3n2CCC3)CC1)N1CCCCC1 47258539 KHXHCJHTVDDWCW-UHFFFAOYSA-N 317.437 1.416 0 40 DDAB C[C@@H](NCCn1cccn1)C(=O)NCc1ccccc1Cl 72267808 JIHSQFLZULIKNG-GFCCVEGCSA-N 306.797 1.831 0 40 DDAB c1ccc2c(c1)CCN(Cc1ccnc(N3CCCNCC3)n1)C2 72338385 PUFVKEKLXFSZNY-UHFFFAOYSA-N 323.444 1.835 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1cc(C)ccc1C 6011760 SBXUUVWDBJWXEJ-BQYQJAHWSA-N 305.330 1.904 0 40 DDAB COC(=O)c1cc(I)cc(C(=O)OC)n1 34156318 OIFGTELVXIXXQU-UHFFFAOYSA-N 321.070 1.259 0 40 DDAB CC(=O)Cc1nsc(NC(=O)[C@@H]2COc3ccccc3O2)n1 5001224 OJFJWCMJZXSDOQ-NSHDSACASA-N 319.342 1.448 0 40 DDAB Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3Cl)c2n1 12338261 ITZVHGKOMNSLKG-UHFFFAOYSA-N 303.709 1.170 0 40 DDAB COc1cc(OC)cc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 13715535 SBXYMFGEIDZVME-UHFFFAOYSA-N 314.341 1.984 0 40 DDAB CCc1c(C)nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O 17053764 REKRCIVESHQZEI-UHFFFAOYSA-N 316.361 1.196 0 40 DDAB Cc1nccn1CCNC(=O)COCc1nc2ccccc2[nH]1 19656366 IVNCLMQNFSZHFH-UHFFFAOYSA-N 313.361 1.401 0 40 DDAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3c2cnn3C)C1 1889138935 VATFQCZBRCLERR-GFCCVEGCSA-N 310.361 1.724 0 40 DDAB CC(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055745553 JHWMFSLLNGPSFN-SNVBAGLBSA-N 303.318 1.191 0 40 DDAB CO[C@@H](CCSC)CNC(=O)C(=O)N[C@H](C)c1ccccc1 1775969082 WSOKECWDMDAZQL-OCCSQVGLSA-N 324.446 1.748 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)[C@H]1CC(=O)Nc1ccccc1 100255505 AFWMXBISGGOHMG-LBPRGKRZSA-N 302.330 1.598 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1cccn1 40480582 GFCIRCAXWFKQOS-CYBMUJFWSA-N 301.346 1.572 0 40 DDAB CCOc1ncccc1CNC(=O)[C@@H]1COc2ccccc2O1 40497932 UCCRPZJQGGZXLG-HNNXBMFYSA-N 314.341 1.937 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2ccncc2)N2CCOCC2)o1 40477354 GDMFOYOAAFJCHO-OAHLLOKOSA-N 315.373 1.786 0 40 DDAB CC(=O)N1CCCN(C(=O)/C=C/c2nc3ccccc3o2)CC1 40477374 CIGFBYQGRIEQIW-BQYQJAHWSA-N 313.357 1.922 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CCCC2)cc1 40508584 ISWJUIGWDBDAOT-CYBMUJFWSA-N 323.414 1.925 0 40 DDAB CCOC(=O)N[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)C(C)C 32912139 SAHZIBWIZSSREU-GFCCVEGCSA-N 304.350 1.694 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)N(C)CC(N)=O)c1cccc2ccccc12 52831285 YVRZGMKJXMJMOV-CHWSQXEVSA-N 313.401 1.823 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 991177 KIEGTOLUCYGTKD-UHFFFAOYSA-N 308.359 1.426 0 40 DDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCO[C@H]2CCC[C@H]21 53382954 INRLOFUUGHNSAT-CVEARBPZSA-N 312.373 1.720 0 40 DDAB CCn1cc([C@H]2OCC[C@@H]2CNCc2nccn2CC)cn1 78880686 BNZGWRQDYPJSRG-CJNGLKHVSA-N 303.410 1.987 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1nc(-c2cccnc2)no1 12322231 JEWNOBKEBJIEQS-LBPRGKRZSA-N 301.350 1.346 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CCc2ccccc21 53477288 NECQPZWVDWMZKI-OAHLLOKOSA-N 320.352 1.595 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CCO1 23456740 BNLATJDJAKPPNA-JTQLQIEISA-N 324.764 1.313 0 40 DDAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CSCC(=O)O 8635812 ITXZLQRQKAXOJH-SDDRHHMPSA-N 300.424 1.041 0 40 DDAB biogenic,in-vitro O=S(=O)(c1ccc(N2CCCCC2)nc1)N1CCOCC1 24032706 IIBSVTDDRLUKDY-UHFFFAOYSA-N 311.407 1.093 0 40 DDAB O=C(CCc1cccnc1)N1CCC(N2CCNC2=O)CC1 55786169 FEJBXMLVBBQSIV-UHFFFAOYSA-N 302.378 1.030 0 40 DDAB CCOC(=O)C1=C(CN2CC[C@@H]3CCCC[C@@H]3C2)NC(=O)NC1 57752404 YVOODVUQGWVPDH-QWHCGFSZSA-N 321.421 1.629 0 40 DDAB O=C(NCc1ccc(Br)s1)c1ccc(=O)[nH]n1 25470495 VDHSPOUDGWMHCF-UHFFFAOYSA-N 314.164 1.524 0 40 DDAB COc1ccc(NC(=O)NCCN2C[C@H](C)O[C@H](C)C2)cn1 48019367 KNNNZMGMKOZLFC-TXEJJXNPSA-N 308.382 1.321 0 40 DDAB C[C@H](NC(=O)[C@@H](C)n1cncn1)c1ccc2c(c1)OCCO2 44576369 FHQYJPSSYXUSEK-WDEREUQCSA-N 302.334 1.488 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cc(=O)c3ccccc3o2)CC1 44869573 WCOFZXIRNQFVKQ-UHFFFAOYSA-N 314.341 1.534 0 40 DDAB COc1cc(NC(=O)CCOCC(C)C)c(C(N)=O)cc1OC 58290450 FLOIPWVJNDXATH-UHFFFAOYSA-N 324.377 1.804 0 40 DDAB C[C@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)n2)[C@@H](C)CO1 58264416 OOMOJRMICDBURT-CFYKVZDHSA-N 312.373 1.916 0 40 DDAB Cc1nc(CCNC(=O)NC[C@H](C)N2CCOCC2)cs1 44953641 DWIONCZNDGSLGC-NSHDSACASA-N 312.439 1.014 0 40 DDAB COc1ccc(CCC(=O)NCCc2nccn2C)cc1F 58311272 PZBLPKZBLFPABI-UHFFFAOYSA-N 305.353 1.859 0 40 DDAB COc1ccccc1[C@@H](O)CNC[C@@H]1CNc2ccnn2C1 58308849 JYXYYLWZZSGLFN-OCCSQVGLSA-N 302.378 1.257 0 40 DDAB CC(C)(C)NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1 58407038 IODGOCNVFGSDGF-UHFFFAOYSA-N 309.454 1.626 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 10767733 GLHYRCBGZXFREE-CQSZACIVSA-N 319.288 1.779 0 40 DDAB C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H](C)c1ccsc1 84637453 OHEYXDRWSSLAKN-WDEREUQCSA-N 318.464 1.974 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(F)cc1F 3375829 HUAUGTZRHMZJPV-UHFFFAOYSA-N 316.267 1.708 0 40 DDAB C[C@H]1CN(c2ccc3nnnn3n2)C[C@@H](c2ccsc2)O1 110682029 NONBNNVTFHPXNZ-ONGXEEELSA-N 302.363 1.547 0 40 DDAB CCc1cccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1 29108693 PDKWQYIAIRHUSC-UHFFFAOYSA-N 314.389 1.972 0 40 DDAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNCCO)C(=O)CCC1 2502463 BGCMDTGXQZMFEJ-CYBMUJFWSA-N 316.401 1.412 0 40 DDAB C[C@@H](Sc1n[nH]c(=O)n1C)C(=O)N1CCc2ccccc21 12809449 IVINAXUYVHTBMR-SECBINFHSA-N 304.375 1.178 0 40 DDAB c1ccc([C@H](CN2CCCC2)Nc2ccc3nnnn3n2)cc1 29526884 ZFTIRLIIARRBLJ-AWEZNQCLSA-N 309.377 1.768 0 40 DDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NC1CC1 3491722 LZDUQMGNJSDAED-UHFFFAOYSA-N 319.390 1.350 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)O 2623480 GPVBCMKVUYEXIR-LLVKDONJSA-N 317.432 1.788 0 40 DDAB in-vitro Cc1cnc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cn1 3467277 IQEKZZFYGVHCGF-UHFFFAOYSA-N 307.256 1.859 0 40 DDAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c2ccccc2n1 3521947 PIQMRNAOSBJILR-SECBINFHSA-N 301.302 1.283 0 40 DDAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)Nc1ccc(F)c(F)c1 18408106 MIIFMVOZAZVZSK-NSHDSACASA-N 309.272 1.330 0 40 DDAB CC(C)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC(N)=O 6178695 DXSHUBWDHSDXGV-SNVBAGLBSA-N 319.390 1.783 0 40 DDAB CNC(=O)COC(=O)c1cc(C)c(Br)cc1C 92855119 NHOYJUILBNURQU-UHFFFAOYSA-N 300.152 1.969 0 40 DDAB COC[C@@H](O)CN(C)C(=O)NCc1nc2ccccc2s1 65440337 PWSJHKNZRXLTAG-JTQLQIEISA-N 309.391 1.445 0 40 DDAB CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CC1 65443791 QSLMURLTKAQPMI-GFCCVEGCSA-N 319.380 1.389 0 40 DDAB COCc1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1 65540503 IEAUCFWOJZXHJK-UHFFFAOYSA-N 318.402 1.647 0 40 DDAB CCn1cc(CNS(=O)(=O)c2cc(F)ccc2F)c(C)n1 14249597 KHHGFAPMYYEMEV-UHFFFAOYSA-N 315.345 1.968 0 40 DDAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(CC)C2=O)cc1 14245320 CWYNAMUATNGODT-CXAGYDPISA-N 320.389 1.709 0 40 DDAB Cc1ccc(O)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1 5678950 AZIOJIFKRYYVEG-UHFFFAOYSA-N 308.334 1.482 0 40 DDAB Cn1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 14899684 XWJBORFPFSBKCQ-NSHDSACASA-N 302.359 1.862 0 40 DDAB Cc1nnc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cn12 65199165 AHWHZHDWGBFSHU-UHFFFAOYSA-N 306.322 1.978 0 40 DDAB CN(CCc1ccncc1)C(=O)CNC(=O)NC1CCCCC1 69349187 JWWFDMUOHOTIMJ-UHFFFAOYSA-N 318.421 1.714 0 40 DDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](n2cccn2)C1 69348388 CPLABQJUOCJDEV-HNNXBMFYSA-N 322.372 1.941 0 40 DDAB CN(C)CC(C)(C)CNC(=O)c1nn(C)c(=O)c2ccccc12 9457272 JHPDSNIHEYLCSW-UHFFFAOYSA-N 316.405 1.251 0 40 DDAB COc1ccc(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cn1 69488484 AHESDLBGPSWFIA-JTQLQIEISA-N 303.366 1.880 0 40 DDAB c1ccc(-c2nccc(CN[C@@H]3CCc4ncnn4C3)n2)cc1 69491550 DQMDLWDUPFGUTP-OAHLLOKOSA-N 306.373 1.840 0 40 DDAB CCNC(=O)NC(=O)CNc1cc(OC)c(Cl)cc1OC 9499707 ZTTNUYFLFAWDDL-UHFFFAOYSA-N 315.757 1.615 0 40 DDAB CCOC(=O)CSc1nnc([C@H](N)Cc2ccccc2)o1 8476822 ZEZMPNZBEDGBNP-LLVKDONJSA-N 307.375 1.967 0 40 DDAB CN(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 9478708 VTDIFEHBTIENSV-UHFFFAOYSA-N 300.145 1.792 0 40 DDAB O=C1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CCN1 71839454 FBVYOCSAZSICJB-UHFFFAOYSA-N 320.364 1.222 0 40 DDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1cccnc1 69775389 VYWVUOXAYJNANW-ZDUSSCGKSA-N 300.366 1.024 0 40 DDAB Cc1cc(NC(=O)CSc2nc(=O)ccn2C(C)C)no1 71858620 PJJIXWUSXLWKFG-UHFFFAOYSA-N 308.363 1.851 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1CC 83817597 PQUAWHMLVPUVNA-UWVGGRQHSA-N 309.435 1.861 0 40 DDAB C[C@H](CCn1cncn1)NS(=O)(=O)c1cncc(Cl)c1 95437329 CYZCVJOANJJBPA-SECBINFHSA-N 315.786 1.084 0 40 DDAB COC(=O)c1ccc(Cn2nnn(-c3cccs3)c2=O)s1 95411107 OCARIICFSKAIEP-UHFFFAOYSA-N 322.371 1.387 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)N1CCOCC1 72234159 FVGSTDIJHHHQHP-CABCVRRESA-N 320.437 1.421 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)c3ccc(Cl)s3)C2=O)cn1 72287349 FSPIPSUPZJKJPI-SECBINFHSA-N 324.793 1.670 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nccc(OC)n1 72268335 TWEGOJBUMPPFGH-QWHCGFSZSA-N 304.394 1.855 0 40 DDAB O=C(C1=CCCCO1)N1CCn2c(nnc2-c2ccccc2)C1 74225730 DBGAVXCEGAUZRO-UHFFFAOYSA-N 310.357 1.982 0 40 DDAB Cc1nc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c2ccccn12 95961063 JTMVIPGUZRXAOR-MNOVXSKESA-N 321.402 1.290 0 40 DDAB Cc1cc(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)ncn1 95974205 JUWYNGAXSSCDPS-AWEZNQCLSA-N 304.394 1.393 0 40 DDAB O[C@@H]1c2ccccc2C[C@@H]1N1CCCN(c2ncccn2)CC1 95987355 PRBUNCXHVUTBML-DLBZAZTESA-N 310.401 1.647 0 40 DDAB Cc1ccccc1-c1nnn(Cc2nsc(N(C)C)n2)n1 89696985 GXBFPVZFKPEOOI-UHFFFAOYSA-N 301.379 1.614 0 40 DDAB O=C(NCCCN1CCCCCC1=O)NCc1ncccc1F 89773186 PEYGJERXCRXHLS-UHFFFAOYSA-N 322.384 1.813 0 40 DDAB CCOC(=O)c1cnn2c(C(=O)Nc3nccs3)ccnc12 89984914 PWUKWQUOXPKUOR-UHFFFAOYSA-N 317.330 1.615 0 40 DDAB O=C(NCCN1CCC[C@@H](CO)C1)c1ccc2scnc2c1 67850933 UICAKGDNCHOBBB-GFCCVEGCSA-N 319.430 1.730 0 40 DDAB C[C@H](C(=O)NCCOc1ccc(F)cc1)n1ncccc1=O 38547255 DZDSLVODHNBHNN-LLVKDONJSA-N 305.309 1.139 0 40 DDAB CN(C)CCNC(=O)C[C@H]1CC2(CCNCC2)c2ccccc21 306125851 DDXCYFXTBNRQPR-HNNXBMFYSA-N 315.461 1.863 0 40 DDAB Cc1cn[nH]c1[C@]1(C)CCCN(S(=O)(=O)c2cn(C)cn2)C1 72388851 IXKMKUSVDQIAET-CQSZACIVSA-N 323.422 1.194 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1cccnc1 32123793 IVIMPZODGCITCY-AWEZNQCLSA-N 324.340 1.488 0 40 DDAB biogenic CCc1cc(NC(=O)N2CCC(Cn3cncn3)CC2)n(C)n1 188956152 OWUIKPFEWNKMEW-UHFFFAOYSA-N 317.397 1.518 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1F 73742997 MDFOLRUDAWJXSJ-NSHDSACASA-N 311.332 1.504 0 40 DDAB CC(C)NC(=O)c1nsc(C(=O)NCc2cccnc2)c1N 62006809 NBEOUZXISGVBBZ-UHFFFAOYSA-N 319.390 1.189 0 40 DDAB O=C(Cn1ncnn1)NCc1cc(-c2cccc(Cl)c2)no1 66089166 AMUMHPZSIBDANZ-UHFFFAOYSA-N 318.724 1.298 0 40 DDAB CCNC1=NC(CN2CCOCC2)=N[C@@H]2SC(C)=C(C)[C@H]12 70503724 AKSLLHLCAPHFJU-UKRRQHHQSA-N 308.451 1.722 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1(COC)C(=O)O 218404982 NTEMSNPWKMYJHC-UMVBOHGHSA-N 312.387 1.613 0 40 DDAB CCCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 38857605 XNCBMLFJLWYWNA-ZDUSSCGKSA-N 312.391 1.130 0 40 DDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](Cc2cccnc2)C1 72386289 CBJMZBFAZGCCOS-CYBMUJFWSA-N 306.391 1.448 0 40 DDAB COC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218471177 BPXWDRQVNSJUND-MDZLAQPJSA-N 302.323 1.054 0 40 DDAB C[C@@]1(C(=O)NC2CCCC2)CCCN1C(=O)c1csnn1 72355303 ZCRDBHOFOSDORY-AWEZNQCLSA-N 308.407 1.592 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cccnc3C)CC2)no1 79001544 BHMBUHMWABCOAT-UHFFFAOYSA-N 301.350 1.039 0 40 DDAB CCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C)ccc1C 225932636 ICOJQLZAVWWTPB-UHFFFAOYSA-N 310.419 1.593 0 40 DDAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCCO 222911182 OAZHGOXDGGSHJE-ZDUSSCGKSA-N 324.396 1.697 0 40 DDAB Cc1ccc(NC(=O)Cn2nc(C)cc(C(=O)O)c2=O)cc1 225961628 IYQGVXZIQRYHMV-UHFFFAOYSA-N 301.302 1.197 0 40 DDAB CCN(CC)[C@H](C)CNS(=O)(=O)N(C)C1CCCCC1 45741972 CBMXXFBZIFMQHH-CYBMUJFWSA-N 305.488 1.816 0 40 DDAB CC[C@@]1(C(=O)N2CCN(C(=O)c3ccoc3)CC2)CCCN1 134398119 PTBFXEMBUXICDW-INIZCTEOSA-N 305.378 1.096 0 40 DDAB CN(C[C@@H]1CCCN1c1cccnn1)C[C@@H](O)C(F)(F)F 195564172 ITLXXIOFGUAGQX-WDEREUQCSA-N 304.316 1.300 0 40 DDAB COc1ccc(CCN(CC(=O)O)C(=O)C(C)C)cc1OC 225316634 GXEMVRAQXNCYMF-UHFFFAOYSA-N 309.362 1.816 0 40 DDAB CC(=O)c1ccc(CCNS(=O)(=O)c2cnn(C)c2)s1 225674636 GFNNKALKJXDZKZ-UHFFFAOYSA-N 313.404 1.205 0 40 DDAB COCCO[C@H]1CCN([C@@H]2CCOC2)[C@H]1Cc1cccnc1 96200525 ORLZHUNKLAPVMW-IKGGRYGDSA-N 306.406 1.519 0 40 DDAB Cc1ccccc1C[C@@H](CNC(=O)c1cnn(C)c1)C(=O)O 97228530 LPOSLGYXJWMOKE-ZDUSSCGKSA-N 301.346 1.402 0 40 DDAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4cscn4)C[C@H]3O2)no1 96046402 KODMIICSXDOUCY-ZMLRMANQSA-N 320.374 1.827 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1C 96261594 MOOBPKFVPXIJFB-BFQNTYOBSA-N 306.410 1.466 0 40 DDAB O=C(CS(=O)(=O)c1ncc[nH]1)NC1(c2ccccc2)CCC1 96475677 WGBQGTRATGMWRG-UHFFFAOYSA-N 319.386 1.379 0 40 DDAB C[C@H]1CN(C(=O)Nc2cccnn2)CCN1CC(F)(F)F 96485981 BXIXQABDLCWKRH-VIFPVBQESA-N 303.288 1.577 0 40 DDAB O=C(C1CCCC1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256515 SWUDHXLHRFMSCA-UHFFFAOYSA-N 319.405 1.594 0 40 DDAB O=C(NC1CC1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96053568 CCHKYFBFHKAULV-DOMZBBRYSA-N 317.364 1.588 0 40 DDAB CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCc3ccco3)[C@H]2C1 96043489 LRAOEERSVIJOJK-RBSFLKMASA-N 306.362 1.169 0 40 DDAB CCOCCN1C[C@H]2OC[C@@H](C(=O)Nc3cccnc3)[C@H]2C1 96219563 UQNMKCYJDVJEAW-RBSFLKMASA-N 305.378 1.003 0 40 DDAB CNC(=O)[C@H]1CO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]21 96219463 YMWHTVVEZNKDFZ-HLLBOEOZSA-N 311.385 1.428 0 40 DDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1ccccc1 96198742 DZTNOJGXYGGAOB-CABCVRRESA-N 318.373 1.077 0 40 DDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 96413610 JIKRBPDOLZIUJG-BDJLRTHQSA-N 310.369 1.986 0 40 DDAB O=c1c2cccnc2[nH]c(=S)n1CCCN1CCOCC1 95910921 DHZJMFQTNPPJQC-UHFFFAOYSA-N 306.391 1.176 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2N1C(C)C 96054240 OHIOUHAURKMEEL-RWMBFGLXSA-N 321.446 1.417 0 40 DDAB Cc1noc(C)c1CN1CCc2ncc(CN(C)C)n2CC1 96196781 VKSIFPKFGXOKNK-UHFFFAOYSA-N 303.410 1.608 0 40 DDAB COCC(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 247847653 PYMMDRQNMSSBDU-CQSZACIVSA-N 320.389 1.505 0 40 DDAB O=C(C1CC1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247874367 NFARBZLSMAUTJI-HNNXBMFYSA-N 309.406 1.600 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2ccncn2)C1 257314872 UYXGOWOPMCVXPJ-GFCCVEGCSA-N 304.375 1.440 0 40 DDAB O=S(=O)(c1ccccc1F)N1CCO[C@@H](c2cnccn2)C1 257266827 MERTWXJNKJMLFI-CYBMUJFWSA-N 323.349 1.378 0 40 DDAB Cn1nccc1CCC(=O)N1CCO[C@@H](c2ccncc2)C1 257252301 JUGWHEMSUQBVMO-OAHLLOKOSA-N 300.362 1.348 0 40 DDAB Cc1cc([C@H]2CN(CC(=O)N3CCCC3)CCO2)nc(C)n1 257319055 VQLYMRQFVREOAE-OAHLLOKOSA-N 304.394 1.089 0 40 DDAB Cc1cc(CN2CC[C@@H]3OCC(=O)N(CC(C)C)[C@H]3CC2)no1 257315076 UZURFIZOPSYZQV-HOTGVXAUSA-N 321.421 1.831 0 40 DDAB CC(=O)N1CCN(Cc2ccccc2Cl)C[C@@H](C(N)=O)C1 257260623 LDQXOKWCXGZKMD-CYBMUJFWSA-N 309.797 1.106 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 257240403 HTHJEPHBQJVISH-GFCCVEGCSA-N 310.361 1.479 0 40 DDAB CCN1CCN(c2nn(-c3ccccc3C)nc2C(=O)O)CC1 256047426 MLCJQNZFPITHLU-UHFFFAOYSA-N 315.377 1.416 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 257278226 OBJCGCYVEAVRBO-GFCCVEGCSA-N 312.377 1.271 0 40 DDAB C[C@@H]1CN(C(=O)NCCc2ccco2)CC2(CCOCC2)O1 581468826 PZGYQWMVRHXKND-CYBMUJFWSA-N 308.378 1.802 0 40 DDAB CCn1cc(NC(=O)[C@@H]2CC[C@@H](N(C)C(C)=O)[C@H]2OC)c(C)n1 585280420 IMRSBWOGTTWIIE-YUELXQCFSA-N 322.409 1.422 0 40 DDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)CNC(C)=O)C1 585273131 ASJXPINZQQBNPJ-QGZVFWFLSA-N 320.389 1.127 0 40 DDAB C[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)N(C)C 69776199 FCCKDJFDCIQFKT-LLVKDONJSA-N 320.389 1.328 0 40 DDAB CC[C@@H]1CN(C(=O)Nc2ccccc2S(C)(=O)=O)CCO1 43927930 KHDKNSCMPMOHRP-LLVKDONJSA-N 312.391 1.733 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@H](C)c1csc2ccccc12 83607804 VJNPRMODKMETOA-SECBINFHSA-N 312.416 1.628 0 40 DDAB CCc1cnc(OC2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc1 1776001861 OMJRITDYCNYRBJ-HNNXBMFYSA-N 319.405 1.978 0 40 DDAB CCC[C@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccn1 77749233 UIFRMWRTHOXPCH-LBPRGKRZSA-N 301.350 1.411 0 40 DDAB COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100018531 ROLKPLJIYRQHNY-BCUIYNNISA-N 301.298 1.066 0 40 DDAB COc1c(C)cnc(CN(C)C(=O)NC[C@H]2CCCN2)c1C 561208710 HQNNJAJJUKABQG-CYBMUJFWSA-N 306.410 1.600 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCC(=O)N3C=O)ccc12 5378588 KXNVGQCODMKTBC-LBPRGKRZSA-N 314.297 1.187 0 40 DDAB CCCN(CCC)C(=O)COc1ccccc1P(=O)(O)O 13625108 DKRLUHKQNPNIJT-UHFFFAOYSA-N 315.306 1.517 0 40 DDAB O=S(=O)(Nc1ccc(CCN2CCCC2)cc1)c1nnc[nH]1 19333642 RPLBCNJFSQUYRL-UHFFFAOYSA-N 321.406 1.244 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc2nc(O)oc2c1 19936417 PHJPWLLWHCHGSC-UHFFFAOYSA-N 300.336 1.238 0 40 DDAB COC(=O)CN1CCCN(c2nc(C(C)(C)C)ns2)CC1 157994915 WXYUEKYHGMPJHZ-UHFFFAOYSA-N 312.439 1.521 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CC[C@@H](Oc2cccnn2)C1 225413798 JYXLRLGTVARTHB-LLVKDONJSA-N 300.318 1.636 0 40 DDAB Cn1cncc1CN1CCO[C@](CO)(Cc2ccc(F)cc2)C1 643914598 RRCJNGCGWXMDDY-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCOCC1 2635925 NMMRXVTYGXNZBM-UHFFFAOYSA-N 313.737 1.121 0 40 DDAB CN(CC1CN(c2ccc(Cl)cn2)C1)S(=O)(=O)C1CC1 1888849495 VPOQSJRLMZWSJG-UHFFFAOYSA-N 315.826 1.595 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)C12CC2 2060990618 JEEMXIZVKNXKNM-POOLDIJYSA-N 322.401 1.565 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 2086886979 LIJMJKKVJZJWMH-OAHLLOKOSA-N 308.447 1.775 0 40 DDAB O=C(CN1CCCc2ccccc21)N1CCC2(CC1)OCCO2 51091451 GTOSIMZEGFDMHQ-UHFFFAOYSA-N 316.401 1.805 0 40 DDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3C[C@@H]3C)c(C)c12 40523813 ALQUNMMXRMZLQZ-JOYOIKCWSA-N 316.405 1.583 0 40 DDAB COCCOCCC(=O)NCc1ncc(-c2ccccc2)[nH]1 51410463 MFJMGQIAMDPGJF-UHFFFAOYSA-N 303.362 1.746 0 40 DDAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 32410466 DBNFFZRNQKFBDL-UHFFFAOYSA-N 314.382 1.281 0 40 DDAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CCC(N)=O)C1=O 52816258 DRYDQBKPIMAOQI-OAHLLOKOSA-N 301.302 1.075 0 40 DDAB Cc1ccc(NCCNC(=O)[C@H]2COc3ccccc3C2)nn1 69846666 SHPPJLDJQMWHJR-CQSZACIVSA-N 312.373 1.564 0 40 DDAB Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)cn1 69817881 BSAWFUGHURJAKW-HUUCEWRRSA-N 321.402 1.699 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCCC(=O)Nc1cc(C)on1)CC2 69819508 MGWIITXDORKPLB-NSHDSACASA-N 318.381 1.070 0 40 DDAB C[C@@H](Cc1ccsc1)NC(=O)NC[C@@](C)(O)c1cnn(C)c1 76021076 NDWICRRGHKTBOZ-XHDPSFHLSA-N 322.434 1.620 0 40 DDAB C[C@@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1N(C)C 78897141 BYCVEAHMPWZUIT-UKRRQHHQSA-N 317.437 1.102 0 40 DDAB O=c1[nH]c(=O)n(Cc2nc(-c3cccs3)no2)cc1Cl 78965444 OGALTWMKKKICLM-UHFFFAOYSA-N 310.722 1.350 0 40 DDAB COCCn1cc(CC(=O)NC(C)(C)CO)c2ccccc21 79495204 UFXISGGDBGRYLG-UHFFFAOYSA-N 304.390 1.717 0 40 DDAB CN(C)[C@@H](CNC(=O)c1ccc(O)nn1)c1cccc(F)c1 22682233 MMNPUJRTMKVVOQ-ZDUSSCGKSA-N 304.325 1.354 0 40 DDAB COCC[C@@H]1CN(c2nccc(-c3cnn(C)c3)n2)CCO1 23145094 RMZLXKYDIWUIBF-CYBMUJFWSA-N 303.366 1.119 0 40 DDAB CCCCNC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 23479136 WXGFOXDNJNENTP-LBPRGKRZSA-N 309.414 1.553 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9512509 OKAYTSVPBJAZKY-UHFFFAOYSA-N 313.357 1.880 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCC[C@@H](O)C1 43137122 ZZYAFOQEFIEPMF-HUUCEWRRSA-N 321.421 1.973 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 25086295 LDJXIYSFYUKUOV-CYBMUJFWSA-N 311.341 1.832 0 40 DDAB CC[C@@H](C)NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 170335866 UACJOHQDCKWAJA-LLVKDONJSA-N 308.378 1.277 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520143 GJBMELOEKYJHOB-HZPDHXFCSA-N 312.373 1.135 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 26865138 HESAERRADXIMPV-OCCSQVGLSA-N 310.419 1.699 0 40 DDAB COC(=O)[C@](O)(NC(=O)c1cccc(Cl)c1)C(F)(F)F 1828246 HXAOEOAXQJKUDR-SNVBAGLBSA-N 311.643 1.494 0 40 DDAB Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 27974493 AWLWQGMBFPOHOK-SNVBAGLBSA-N 301.302 1.920 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccccc1 58158336 MKKUGQXRBPXYBQ-JSGCOSHPSA-N 304.346 1.243 0 40 DDAB O=C(CN1CCCC1=O)Nc1cccc(OC[C@@H]2CCCO2)c1 44846507 RODLBDUGKFYGBM-HNNXBMFYSA-N 318.373 1.805 0 40 DDAB Cc1csc(CNC(=O)CN2C(=O)COc3ccccc32)n1 44894622 VNDPFRXAJIODAU-UHFFFAOYSA-N 317.370 1.493 0 40 DDAB Cc1cc2n(n1)C[C@@H](CN[C@H]1CCCc3c1cnn3C)CN2 58298889 OGIHBBCRHLBZBG-JSGCOSHPSA-N 300.410 1.634 0 40 DDAB CC(=O)NCCC(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 12762859 CNTFAJMEGITGLU-GFCCVEGCSA-N 318.373 1.029 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1ccnc(-n2cccn2)c1)C(C)C 44913484 FJHIIXHFMFHIEQ-HNNXBMFYSA-N 315.377 1.044 0 40 DDAB COc1ccc(CN2CCN(C(=O)c3cc[nH]n3)CC2)cc1F 44913948 JYJZHRVWIPTWNL-UHFFFAOYSA-N 318.352 1.515 0 40 DDAB NC(=O)NC(=O)CCn1cc(C(F)(F)F)cc(Cl)c1=O 58342516 OQTHLCHSKIQFAD-UHFFFAOYSA-N 311.647 1.106 0 40 DDAB O=C(CC[C@H]1CCCO1)N[C@H]1CCN(Cc2ccccc2)C1=O 58420298 ZOICPBGDMGISTO-CVEARBPZSA-N 316.401 1.863 0 40 DDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1ccc(F)cc1 45138607 ZDEJLHOJZAGADB-SNVBAGLBSA-N 317.386 1.125 0 40 DDAB CCn1c(=O)n(CC(=O)NCCCOC(C)C)c2ccccc21 24619871 PSPFGPBTCYNIQV-UHFFFAOYSA-N 319.405 1.754 0 40 DDAB O=C(CCc1nc2ccccc2[nH]c1=O)NCc1cccnc1 72404506 USEBVEDKMAUNII-UHFFFAOYSA-N 308.341 1.567 0 40 DDAB COc1ccc([C@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1 24302316 HZAKKTBWHCKZSU-AWEZNQCLSA-N 321.340 1.692 0 40 DDAB C[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccccn1 28780529 MMRCEVPCXOZYCW-LBPRGKRZSA-N 311.341 1.684 0 40 DDAB CCCOc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 48363291 LSNXRBTWSYGOIP-NSHDSACASA-N 312.391 1.784 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cn1cc(C(F)(F)F)ccc1=O 48302312 GWMRBRPRMXAMAV-VHSXEESVSA-N 318.295 1.503 0 40 DDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(C)C 3491456 YKAMOUHHMPJKOH-UHFFFAOYSA-N 321.406 1.596 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1C(=O)N[C@@]2(C)C[C@@H]1c1ccccc1O2 4093942 GDQYQXBBTHPLFM-CJBNDPTMSA-N 302.374 1.930 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 20567560 CLUYJLHVPXRVLY-UHFFFAOYSA-N 320.780 1.773 0 40 DDAB CS(=O)(=O)c1ccc(OCCNCc2ccncc2)cc1 78602389 PKEUGQGLGRTOLA-UHFFFAOYSA-N 306.387 1.654 0 40 DDAB O=C(NCCNc1cnccn1)c1cnc(-c2ccccc2)nc1 65407496 WZIFIPDQCSPLAK-UHFFFAOYSA-N 320.356 1.776 0 40 DDAB CN(Cc1ccccc1)Cn1nnc(-c2ccc(C(N)=O)cc2)n1 14112440 NROGGXPIZAPRMZ-UHFFFAOYSA-N 322.372 1.529 0 40 DDAB O=C(c1cn[nH]n1)N1CCCN(Cc2ccc(Cl)cc2)CC1 71821501 OQCPIFCYFGCYJS-UHFFFAOYSA-N 319.796 1.806 0 40 DDAB CC(=O)N1CCCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 71828363 YTJLMPDOIZJLBJ-UHFFFAOYSA-N 324.812 1.252 0 40 DDAB O=C(COC(=O)c1ccc2ccccc2n1)NC[C@H]1CCCO1 5700442 CJBOCTMPOZNKGH-CYBMUJFWSA-N 314.341 1.687 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12 4822828 DUYFVQNTEGEYOO-UHFFFAOYSA-N 318.333 1.344 0 40 DDAB Cc1ccn2cc(CNS(=O)(=O)N(C)[C@@H](C)C3CC3)nc2c1 66912646 LRGCBPBPXBYNNY-LBPRGKRZSA-N 322.434 1.707 0 40 DDAB CCCn1c(NC(=O)c2ccc(=O)n(C)n2)nc2ccccc21 5901982 JKNGHZUDAXOIJZ-UHFFFAOYSA-N 311.345 1.792 0 40 DDAB CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CCCCCC2)C1 67625857 FMERWQOVAMCGIB-ZDUSSCGKSA-N 317.455 1.432 0 40 DDAB O=C(NCc1ccncc1)C1CCN(C(=O)c2ccco2)CC1 7452027 SWQZVOIPEFBNGG-UHFFFAOYSA-N 313.357 1.843 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 71871282 DYHXKMOOFWFHJP-NSHDSACASA-N 321.808 1.960 0 40 DDAB CCc1cc(=O)[nH]c(Nc2ccc(N3CCN(C)CC3)cc2)n1 7996387 PACNHFCSZOEZHS-UHFFFAOYSA-N 313.405 1.828 0 40 DDAB Cc1ccc(NC(=O)Cc2ccccc2F)cc1S(N)(=O)=O 8010298 FDRBSPMFODJGJK-UHFFFAOYSA-N 322.361 1.963 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ns2)c(C)o1 81804744 IZLBVNYWVIXFCW-UHFFFAOYSA-N 315.376 1.513 0 40 DDAB CS(=O)(=O)NC1CCN(Cc2ccccc2Cl)CC1 69389861 JCBNZYFVKWHAQE-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB COc1ccc(C(F)(F)F)cc1N1C(=O)CC(=O)N=C1O 17044300 JLAYQSJMTFYGJX-UHFFFAOYSA-N 302.208 1.891 0 40 DDAB CC(=O)Nc1nc(CN2CCO[C@@H](Cn3cccn3)C2)cs1 69418405 CFZVDLJHSIHJKO-CYBMUJFWSA-N 321.406 1.199 0 40 DDAB O=C(/C=C/c1ccc2c(c1)CCO2)NCC(=O)Nc1cn[nH]c1 69431920 FDDUBHGAJOOGLF-DUXPYHPUSA-N 312.329 1.113 0 40 DDAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC[C@H]1Cn1cccn1 71865318 VZJWDSHFNKTINA-LBPRGKRZSA-N 320.780 1.920 0 40 DDAB CCCCn1nnnc1CN1CCCC[C@H]1Cn1cncn1 69513969 YOYSMIQHLQEMKU-ZDUSSCGKSA-N 304.402 1.119 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n(C)n1 91757094 IBHAAWZDIBFODO-SMDDNHRTSA-N 321.327 1.955 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)c1 69666332 OKNRNJSTMGCPJH-OAHLLOKOSA-N 322.430 1.652 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(-n2cccc2)c(F)c1 69777174 ZFPLHOPCTYVRCP-ZDUSSCGKSA-N 301.321 1.625 0 40 DDAB COc1ccc(F)cc1CN(C)CC1CCN(CCO)CC1 69738504 APERNJAFDYVAJH-UHFFFAOYSA-N 310.413 1.970 0 40 DDAB C[C@@H](c1cccnc1)N1CCN(Cc2cc(=O)c(O)co2)CC1 96424270 OOTYTWPBFNQTHX-ZDUSSCGKSA-N 315.373 1.619 0 40 DDAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N)C2)cc1 84747621 BUSAGCDVARGIMP-ZDUSSCGKSA-N 310.419 1.432 0 40 DDAB CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@@H]1N1CCOCC1 84735783 HMVGRKNIEXOIHW-IKGGRYGDSA-N 324.465 1.905 0 40 DDAB COC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2C=CCCC2)CC1 97084628 GOPGOSBAJNVMMT-DZGCQCFKSA-N 308.422 1.875 0 40 DDAB COCCN1C[C@@H](C(=O)N(C)c2ccc(F)cc2OC)CC1=O 72291570 XHTQBVQEJMFQDH-NSHDSACASA-N 324.352 1.292 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2)[C@H]1c1ccccc1 72238061 JRCMWQLZNNSPNP-QZTJIDSGSA-N 324.380 1.901 0 40 DDAB COc1ncccc1CNC(=O)C(=O)Nc1ccnn1C(C)C 72309186 QYOZZLKVPPPJQX-UHFFFAOYSA-N 317.349 1.123 0 40 DDAB Cn1nc2c(cc1=O)CN(CCOc1cccc(F)c1)CC2 72302331 GYFLJAUURWRKNU-UHFFFAOYSA-N 303.337 1.357 0 40 DDAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc[nH]2)c1 72301402 RFPORQBQZOURNW-UHFFFAOYSA-N 321.402 1.631 0 40 DDAB CCC(CC)(CO)CNC(=O)c1ccc(-n2cncn2)c(F)c1 95435575 ZNWWRPBFYHCXNU-UHFFFAOYSA-N 320.368 1.935 0 40 DDAB Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ncn1 95463889 LBIQLFXWJJICTA-HNNXBMFYSA-N 324.340 1.692 0 40 DDAB CN(Cc1ncnn1C)c1nc2ccccc2nc1N1CCCC1 95449406 MPRHPTTWSAYDFD-UHFFFAOYSA-N 323.404 1.995 0 40 DDAB Cc1[nH]ccc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 95450587 ZODZEZSLGBQMAK-CQSZACIVSA-N 319.405 1.567 0 40 DDAB COC[C@H](O)CNC(=O)Cc1ccc(Br)c(F)c1 95434141 BTAUURHHDMWJLW-SECBINFHSA-N 320.158 1.254 0 40 DDAB CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)co1 95439588 PODDWZAUOQJOKA-TXEJJXNPSA-N 324.402 1.568 0 40 DDAB CCCc1nnc(NC(=O)N2CCC[C@@H]2c2nncn2C)s1 95981830 DVZWHMIMKWZHRD-SECBINFHSA-N 321.410 1.988 0 40 DDAB COCc1ccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)o1 95992236 AIRWHMHUUGJPTP-UHFFFAOYSA-N 323.393 1.644 0 40 DDAB C[C@H](CNC(=O)Cc1cccc(F)c1)CN1CCN(C)CC1 75122183 UOSGTYUGLPFYJE-CQSZACIVSA-N 307.413 1.368 0 40 DDAB O=C(Cc1n[nH]c2ccccc12)N1CCN(c2ncc[nH]2)CC1 548391443 JNWSDRBSZMDBMR-UHFFFAOYSA-N 310.361 1.177 0 40 DDAB O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc(O)nn1 552229548 JQEDPLXHHKAUAU-HAQNSBGRSA-N 313.361 1.730 0 40 DDAB c1ccc(N2CCN(Cc3nnnn3Cc3ccco3)CC2)cc1 35288978 MEKCYDMGFLGBSJ-UHFFFAOYSA-N 324.388 1.637 0 40 DDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)c1cccc(Br)c1 76585602 YZGCOUXMPRELKS-QMMMGPOBSA-N 320.208 1.700 0 40 DDAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)C2CC2)C1 72394203 BRFBPVVMMMOEHK-GFCCVEGCSA-N 308.403 1.601 0 40 DDAB C[C@H](N)C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 79391343 UVQVBUQYKLOBMD-NSHDSACASA-N 311.426 1.724 0 40 DDAB O=C(NC[C@H]1CCCc2ccccc21)NC[C@H]1CNCCO1 566551084 XQKXTKPDAHRAQH-HUUCEWRRSA-N 303.406 1.394 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)CN(C)C 49946337 KDUZVSLPTWKVPH-CQSZACIVSA-N 323.437 1.738 0 40 DDAB Cc1noc(-c2cn(CCNC(=O)Cc3ccsc3)nn2)n1 225584361 RBKUHKODDMLTQU-UHFFFAOYSA-N 318.362 1.057 0 40 DDAB CCn1cc(CC(=O)N[C@H]2CNC[C@@H]2OC)c2ccccc21 195554093 KULGZQPDDQOFNC-HOCLYGCPSA-N 301.390 1.307 0 40 DDAB Cc1cc(-c2noc(CNC(=O)Cc3c(C)noc3C)n2)no1 225813015 ZBZXZANACXFXOU-UHFFFAOYSA-N 317.305 1.497 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)NCc1cccs1 41123906 ICNFVMXTBDKYLK-UHFFFAOYSA-N 303.391 1.939 0 40 DDAB COCCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2)CC1 85467954 RHBMHACDZOWRLP-CQSZACIVSA-N 306.406 1.681 0 40 DDAB CCNC(=O)NCCCOC(=O)c1occc1Br 83766682 WFABAEFZFRGOSS-UHFFFAOYSA-N 319.155 1.908 0 40 DDAB CC(=O)[C@@H](NC(=O)CN1CCC[C@@H](N2CCCC2)C1)C(C)C 195530712 BBUOFYLRNUXUCG-WBVHZDCISA-N 309.454 1.276 0 40 DDAB COC(=O)[C@@H]1C[C@H]2c3ccccc3N(C(C)=O)[C@@H]2N1C(=O)OC 95936514 ZKMAGAPYZQZBHO-FPMFFAJLSA-N 318.329 1.477 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1cc2c(=O)[nH]cnc2s1 96345911 ONTROMAEOALAIG-UHFFFAOYSA-N 311.322 1.781 0 40 DDAB CCc1oc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)cc1C 97230661 SSHYAVYIKPCHIB-CYBMUJFWSA-N 322.405 1.860 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccnnc1 96062060 ZKZDUDGSQKJXOK-GFCCVEGCSA-N 323.360 1.135 0 40 DDAB COc1cccc(N2C(O)=NS(=O)(=O)c3cccnc32)c1 96511558 OZLGSLAZJKUJBJ-UHFFFAOYSA-N 305.315 1.845 0 40 DDAB Cc1cnnn1C[C@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccco1 96082646 MXKSDDDDRZCLNT-UMVBOHGHSA-N 316.361 1.499 0 40 DDAB Cc1cc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)n(C)n1 96192420 PJKZUKMFMXOKNI-UHFFFAOYSA-N 312.373 1.586 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C3CCOCC3)C[C@H]21 96248830 NSYBMRRVMOKVFR-SJORKVTESA-N 321.421 1.355 0 40 DDAB CC[C@H](C)N(C)C(=O)[C@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 96239501 WXPAQLYFHJNNOG-GXTWGEPZSA-N 320.389 1.910 0 40 DDAB O=C(O)[C@H]1C[C@H](N2CCCC2)CCN1C(=O)Cc1ccsc1 96069050 UCNJBICUHSVSST-ZIAGYGMSSA-N 322.430 1.831 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053622 FOTIPPGFGQEGPB-ZFWWWQNUSA-N 307.353 1.817 0 40 DDAB COC[C@H]1CN(Cc2cc(C)on2)Cc2nnn(CC3CC3)c21 96045603 CREZGLUVIZWSMH-CYBMUJFWSA-N 317.393 1.730 0 40 DDAB Fc1cccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)c1 96185815 VMIXGNGKBLUUSS-OKZBNKHCSA-N 320.408 1.890 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)Nc2nncs2)cc1 330032697 RCRZBODAKYFRJG-UHFFFAOYSA-N 313.360 1.516 0 40 DDAB COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H]2CN(C)CCO2)cc1 96485784 CPWUIXZQZMHBSL-YOEHRIQHSA-N 320.433 1.663 0 40 DDAB CO[C@@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1ccccc1 96110185 VHQDSEPXWLSSTL-LSDHHAIUSA-N 312.435 1.372 0 40 DDAB c1cnc(N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)nc1 247832829 IBZSHTGIVRSLEB-AWEZNQCLSA-N 321.446 1.984 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 240658199 AHLLOVWPJLRFBD-UHFFFAOYSA-N 320.389 1.310 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NC[C@H]2Cc3ccccc32)[C@H](C)CO1 245339222 RIBNJCLQWRVJLW-YRGRVCCFSA-N 310.419 1.270 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnco2)n1 257242410 ICILEJWGDWUZSP-LBPRGKRZSA-N 301.350 1.504 0 40 DDAB Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 257329284 XJEWDZVXNNRVLZ-CYBMUJFWSA-N 318.402 1.667 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)ccn1 257254082 KBMGUSDSUJWSBN-OAHLLOKOSA-N 313.357 1.302 0 40 DDAB Cc1cc2nc(C3CCN(C(=O)Cn4cccn4)CC3)ccn2n1 257273225 NFTBKXLUXBPFQI-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB CC(C)c1noc(CCC(=O)N2CCOC[C@@H]2c2ccn[nH]2)n1 257219345 DGLWUYKBBNJFQO-GFCCVEGCSA-N 319.365 1.449 0 40 DDAB CC(C)(C)OC(=O)N1CCC(c2nnc3n2CCNC3)CC1 257235037 GWEAGQXEYCBUII-UHFFFAOYSA-N 307.398 1.496 0 40 DDAB O=C(Cc1ccccc1F)N1CCC2(CC1)OCCC[C@H]2O 257268153 MKMFOQCJGBRVJN-OAHLLOKOSA-N 307.365 1.901 0 40 DDAB CCn1cc(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cn1 257255742 KIRJPQHVIASZEL-BZUAXINKSA-N 320.437 1.353 0 40 DDAB C[C@@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1C1CCC1 253590568 CFDVDCPFFRYKSR-GFCCVEGCSA-N 304.394 1.285 0 40 DDAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2ccn(C)n2)n1 257222943 DVFVVZFZMJAJRU-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2c[nH]c(C(N)=O)c2)C1 268069198 DISDKHZGQZFEGV-SNVBAGLBSA-N 306.366 1.091 0 40 DDAB OC[C@@]1(Cc2ccc(F)cc2)CN(C2CCOCC2)CCO1 585269273 NXBWFNGPRAPISE-QGZVFWFLSA-N 309.381 1.611 0 40 DDAB Cn1nc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)ccc1=O 585286913 XFCSYLPCYMYCDW-YVEFUNNKSA-N 319.405 1.590 0 40 DDAB CO[C@@H]1CCN(Cc2[nH]cnc2C)C[C@H]1CC(=O)N1CCCC1 585274580 LDSUVTBVUXOAMQ-GDBMZVCRSA-N 320.437 1.568 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccncc1)C2 585110764 CFKRMCAMWBFKEE-CQSZACIVSA-N 311.389 1.147 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCCN1C)C1CCCC1 69528844 XKUSOTMWNKLYTR-ULQDDVLXSA-N 321.465 1.767 0 40 DDAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cncnc3)c2)CCCN1 953025679 AWOHBWOXINYEAM-GOSISDBHSA-N 310.401 1.897 0 40 DDAB O=C(NCc1ccccc1Cn1ccnc1)NC[C@@H]1CCCO1 44966231 WJYWFOVJGXHNSP-INIZCTEOSA-N 314.389 1.910 0 40 DDAB O=S(=O)(NCC1(c2ccccc2)CCC1)N1CCOCC1 55414592 RVYKLSUMHFDXIL-UHFFFAOYSA-N 310.419 1.275 0 40 DDAB C[C@@H](NC(=O)NCC1(N(C)C)CCOCC1)c1ccccn1 74003036 QIJZDVMEQWENMT-CYBMUJFWSA-N 306.410 1.553 0 40 DDAB Cc1nn(CC(=O)N2CCc3sccc3C2)c(C)c1CCO 97115026 YHMZKBRVSASXSN-UHFFFAOYSA-N 319.430 1.681 0 40 DDAB COC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193563 DKMAKXIIBIQGDS-CMPLNLGQSA-N 309.341 1.265 0 40 DDAB Cn1nc(C(=O)NCC[C@]2(O)CCCOC2)c2ccccc21 529512354 JNDIUTOFGLVNSC-MRXNPFEDSA-N 303.362 1.235 0 40 DDAB COc1cncc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)c1 572154306 NHFAQWJWKKZHGW-VHSXEESVSA-N 314.363 1.012 0 40 DDAB CN(C(=O)COc1cccc(-n2cnnn2)c1)C1CCCCC1 6231488 ZIBLTRNFDDOWGP-UHFFFAOYSA-N 315.377 1.832 0 40 DDAB O=C([C@@H]1CCOC1)N1CCc2ncnc(-c3cccnc3)c2C1 1614940580 GXQJHDPNZMSJPZ-CYBMUJFWSA-N 310.357 1.460 0 40 DDAB Cc1nc2ccc(N3CCN(c4ncccn4)CC3)nn2c1C 2087139264 NVGAQYRFFCCBGW-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB CCCNS(=O)(=O)CCCOc1ccc2c(c1)OCO2 12440645 VVPSSRHUOBFCLX-UHFFFAOYSA-N 301.364 1.514 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NCC3CC3)ncn2C1 2055717890 BHCPTCGXQOEGIV-GFCCVEGCSA-N 304.394 1.110 0 40 DDAB CN1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1 22999032 MTVHPAGCXLAALR-UHFFFAOYSA-N 311.332 1.361 0 40 DDAB NC(=O)c1cc(N2CCC[C@@H](COc3cnccn3)C2)ccn1 2298049125 ROUXVWABQAOVOI-GFCCVEGCSA-N 313.361 1.266 0 40 DDAB Cc1cccc(=O)n1CCCNS(=O)(=O)c1cccs1 72408196 VPEQQXRONFVYQK-UHFFFAOYSA-N 312.416 1.587 0 40 DDAB CNC(=O)C1CCN([C@@H](C)c2nc(-c3cccnc3)no2)CC1 40127649 DAJADRHXHAXRHS-NSHDSACASA-N 315.377 1.651 0 40 DDAB COCCCNC(=O)CN1CCN(Cc2cccc(C)c2)CC1 40461019 SKULOOYDSQSZHC-UHFFFAOYSA-N 319.449 1.265 0 40 DDAB CN1N=C(CC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1=O 101779274 VDAKARMMRPQISS-OAHLLOKOSA-N 317.364 1.967 0 40 DDAB CCOCCCNC(=O)NCc1ccc(-n2cccn2)nc1 32795168 TZODRAOHVCZGCC-UHFFFAOYSA-N 303.366 1.493 0 40 DDAB CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC 32999472 FYPWANMEYVTVAD-GFCCVEGCSA-N 310.419 1.683 0 40 DDAB Cn1cc(Cl)c(C(=O)NC(=S)N2CCSCC2)n1 115304 WJACTQKBCSKBJO-UHFFFAOYSA-N 304.828 1.137 0 40 DDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 260007 BVTWCDONSLSBSI-GZBFAFLISA-N 322.430 1.757 0 40 DDAB CNc1snc(C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788544 RJRHBQORCBARSX-NEPJUHHUSA-N 324.450 1.164 0 40 DDAB C[C@H](Cn1cncn1)NS(=O)(=O)C[C@H](C)c1ccccc1 79095669 KTVRJFKXUDFYHC-QWHCGFSZSA-N 308.407 1.390 0 40 DDAB COCCNC(=O)[C@H](C)OC(=O)C1=Cc2ccccc2OC1 4982280 JRBIRCYWJKPYER-NSHDSACASA-N 305.330 1.157 0 40 DDAB CCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 6204476 OQHGRELDPNFFQG-ZDUSSCGKSA-N 312.435 1.984 0 40 DDAB OCC(CO)(CO)N[C@H](Cc1ccccc1)c1ccccc1 6580805 WHDOWGMCGHODFS-QGZVFWFLSA-N 301.386 1.276 0 40 DDAB CC(=O)NCCNC(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1 95396227 IIXUHLYKKVQIFS-CABCVRRESA-N 305.378 1.422 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)NCC(=O)NC(C)C)c1 54399806 YTJJLLGJNQONGT-NSHDSACASA-N 323.393 1.589 0 40 DDAB CCOC(=O)c1c(S(=O)(=O)N2CCCCC2)nn(C)c1C 57478202 JDCFWDRWGVACPG-UHFFFAOYSA-N 315.395 1.080 0 40 DDAB CS[C@@H](C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 42855818 IVPOMTPNZKZGRH-STQMWFEESA-N 312.435 1.829 0 40 DDAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)C1CC1 47921555 JYOZOLOXRUOHST-UHFFFAOYSA-N 305.397 1.564 0 40 DDAB COCC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 25240759 RHLWTRNJOTXITF-UHFFFAOYSA-N 302.330 1.364 0 40 DDAB C[C@@H](CNC(=O)COCC1CC1)CNC(=O)OC(C)(C)C 84638328 CMHFCJYBRUVZPO-NSHDSACASA-N 300.399 1.690 0 40 DDAB C[C@@H](NC(=O)COC(=O)c1ccc[nH]c1=O)c1ccccc1 3232796 WVZUGSIYKAMMPI-LLVKDONJSA-N 300.314 1.409 0 40 DDAB CCN(CCCNC(=O)Nc1cccc(F)c1)S(C)(=O)=O 56531203 DKCNFLKULYXDRZ-UHFFFAOYSA-N 317.386 1.619 0 40 DDAB O=C(c1nnc2sc(-c3ccccc3)nn12)N1CCOCC1 57354656 WYPFTMLWURUXKV-UHFFFAOYSA-N 315.358 1.325 0 40 DDAB CCOC(=O)[C@H]1CCCN(c2ncnc3c(C)nn(CC)c23)C1 57280130 DYILYRZVVLBTHJ-LBPRGKRZSA-N 317.393 1.934 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@H](c1cccs1)N(C)C 97159790 LOTJJKGXBJDMSW-OAHLLOKOSA-N 322.478 1.946 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1 44895211 HBIGFJCWWGEIQM-GJZGRUSLSA-N 314.389 1.988 0 40 DDAB CNC(=O)NC(=O)CNc1ccc(NC(=O)C(C)(C)C)cc1 12794538 XQFALGJTFJEZHO-UHFFFAOYSA-N 306.366 1.539 0 40 DDAB CC(=O)OC12CC3C[C@H](C1)C(OC(C)=O)(OC(C)=O)[C@H](C3)C2 100857910 YMBKKVTWXAWGMY-PIOWNMBXSA-N 310.346 1.951 0 40 DDAB C[C@H]1CCCCN1CCNS(=O)(=O)c1ncn(C)c1Cl 44937471 SSRYZJUPKWCQMP-JTQLQIEISA-N 320.846 1.226 0 40 DDAB Cc1csc(=O)n1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12755386 QRLLRQVCXVCISL-UHFFFAOYSA-N 318.358 1.417 0 40 DDAB Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1 44966657 YOBUPOZRXOXOMO-QWRGUYRKSA-N 300.380 1.478 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(C)on2)no1 44938644 YQWRAQVIRQUUPA-SECBINFHSA-N 313.335 1.221 0 40 DDAB Cc1csc(CNC(=O)NC[C@@H](O)CN2CCCCC2)n1 44954791 FRCFDXIGCUPCCV-GFCCVEGCSA-N 312.439 1.098 0 40 DDAB C[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)[C@@H]1CCCO1 27889062 AGPWMSGIZXBBLL-DOMZBBRYSA-N 317.389 1.414 0 40 DDAB COC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355166 NHYYBJHFSGKUFZ-IAQYHMDHSA-N 322.336 1.024 0 40 DDAB Cc1ccc(-n2nc(CSc3nnnn3C)cc2O)cc1 10157348 PHTFXWBHKVPICK-UHFFFAOYSA-N 302.363 1.702 0 40 DDAB NS(=O)(=O)c1cnc(N2CCN(c3ccccc3)CC2)s1 58413533 KYQPSVNZSLZKOG-UHFFFAOYSA-N 324.431 1.117 0 40 DDAB CONC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 48345876 ATPVCUISXLPVTJ-JTQLQIEISA-N 313.151 1.480 0 40 DDAB Cn1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O 3518449 UOMZVSJZTVKWKK-UHFFFAOYSA-N 317.370 1.175 0 40 DDAB O=C(NCCc1c[nH]cn1)c1n[nH]c2c1COc1ccccc1-2 9728765 PPHGPIUNIXTSLR-UHFFFAOYSA-N 309.329 1.665 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1 71288499 BWYKPZFFJZEABP-VXGBXAGGSA-N 300.318 1.563 0 40 DDAB CC(=O)N1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 72216617 OYZQVCOLQPACDJ-INIZCTEOSA-N 302.422 1.907 0 40 DDAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580410 BWRPGPXPMJORNE-NSHDSACASA-N 310.419 1.927 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)c1cccn1C)C2=O 6050552 DGGONOQDAYYNTM-UHFFFAOYSA-N 303.362 1.709 0 40 DDAB COc1cccc(-n2nnnc2SCC(=O)NC(C)C)c1 5016276 JADGURXINQNTSI-UHFFFAOYSA-N 307.379 1.288 0 40 DDAB Cc1nc(Nc2ncccn2)cc(C2CN(c3ncccn3)C2)n1 72382746 BMEFRZRWNYBGNF-UHFFFAOYSA-N 320.360 1.712 0 40 DDAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCCCn1cccn1 65539564 BTASUEVKWPXNQI-UONOGXRCSA-N 321.425 1.362 0 40 DDAB c1ccc(CN2CCc3ncnc(N4CCOCC4)c3C2)cc1 65513709 XAHYZZRTDXWMRI-UHFFFAOYSA-N 310.401 1.872 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)NCc1ccc(Cl)cc1 14134606 IJEJAKOSMFFHOC-SSDOTTSWSA-N 311.798 1.837 0 40 DDAB Cc1ccc(C(=O)N[C@H]2C(=O)NN[C@H]2c2ccc(C)cc2)cc1 4550944 AUKLVYMEAMDFKK-JKSUJKDBSA-N 309.369 1.778 0 40 DDAB O=C1CCC(C(=O)OCc2ccc(Br)cc2)=NN1 6566449 IUTYFVOAZSNNPR-UHFFFAOYSA-N 311.135 1.758 0 40 DDAB COC(=O)COc1cccc(NC(=O)[C@@H](NC(C)=O)C(C)C)c1 24950397 RHVXMRUHPFJHMO-HNNXBMFYSA-N 322.361 1.338 0 40 DDAB Cc1nc(N[C@@H](C(=O)O)[C@H](C)O)c2oc3ccccc3c2n1 6861476 JLARVDCFFCLLEY-WRWORJQWSA-N 301.302 1.930 0 40 DDAB CC(=O)NCCNC(=O)c1cc2cnn(C(C)C)c2nc1C 27671867 RBYOMVIAIUTURP-UHFFFAOYSA-N 303.366 1.187 0 40 DDAB Cn1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 81385164 AINULQRKTJHSFO-AWEZNQCLSA-N 312.373 1.085 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(N)=O 26744797 YYTPTKOQGHHKQW-UHFFFAOYSA-N 304.371 1.919 0 40 DDAB Cc1ccccc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 8207333 PYAKXRDFQBLBQU-UHFFFAOYSA-N 309.325 1.637 0 40 DDAB CC(C)c1noc(CCNC(=O)N(C)C[C@H]2CCCC[C@H]2O)n1 97049368 YMLYUAHTWOPWLZ-CHWSQXEVSA-N 324.425 1.928 0 40 DDAB NS(=O)(=O)c1ccc(NCC[C@@H]2CCCO2)c2ncccc12 71795708 RATMGCYRZFTWBB-NSHDSACASA-N 321.402 1.863 0 40 DDAB CN(C)C(=O)CCN(Cc1cccc(O)c1)C1CCC(O)CC1 69456129 MNOHJBFBBODUNG-UHFFFAOYSA-N 320.433 1.976 0 40 DDAB CC(C)c1noc([C@H](C)N2CCN([C@H]3CCOC3=O)CC2)n1 69414753 BDPYKBWKNQYGJI-RYUDHWBXSA-N 308.382 1.187 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCC[C@H](CO)C1)C2 71796332 FWKJDOFGTRMMCC-JSGCOSHPSA-N 320.389 1.413 0 40 DDAB Cc1cc(C)cc(CCNC(=O)NCC(=O)N2CCCC2)c1 96419854 DZAGFSMVBZWEGC-UHFFFAOYSA-N 303.406 1.768 0 40 DDAB CN1CCO[C@@H](CNCC(=O)N(C2=CCCCC2)C2CC2)C1 69569161 OEFYWPALRVDXDS-INIZCTEOSA-N 307.438 1.356 0 40 DDAB Cc1n[nH]c(C)c1[C@H](C)C(=O)NCC(=O)OCc1ccccc1 69776078 YRSNGSANAXOYJH-NSHDSACASA-N 315.373 1.990 0 40 DDAB CC1CCC(N(C)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 69786081 SHDAGJKXYULRTI-FWXSHLFISA-N 321.421 1.744 0 40 DDAB CCc1ccc(O)c(C(=O)N2CCC[C@H]2CN2CCOCC2)c1 91980798 MHEDXVGMUAJLTC-HNNXBMFYSA-N 318.417 1.891 0 40 DDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 17945747 PRSBVAPFESUZQY-AWEZNQCLSA-N 314.345 1.757 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)no1 72231827 IAZNPJLRGILSPZ-ZDUSSCGKSA-N 316.361 1.336 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN1Cc1ccccn1 72294376 JARGEFMZMSGBMH-INIZCTEOSA-N 313.405 1.438 0 40 DDAB Cc1noc(C)c1C[S@@](=O)CC(=O)NCCCOC(C)C 71858910 DLVUUMPQIHVVGL-NRFANRHFSA-N 316.423 1.471 0 40 DDAB Cc1nn(CCO)c(C)c1CNCc1nnc2n1CCCCC2 71825181 NEDDXDNUVYZXPK-UHFFFAOYSA-N 318.425 1.100 0 40 DDAB C[S@@](=O)c1nncn1Cc1cc(Br)ccc1F 71899904 ODIOPUWXGGXPOZ-KRWDZBQOSA-N 318.171 1.965 0 40 DDAB NC(=O)C1CCN(C(=O)CCCOc2cccc(F)c2)CC1 71819775 KNVLIUBDJCRZRL-UHFFFAOYSA-N 308.353 1.709 0 40 DDAB CC(C)(C)c1nnnn1CC(=O)N1CCO[C@H]2CCCC[C@H]21 71839271 XNSIPOQNIYKFCU-NEPJUHHUSA-N 307.398 1.141 0 40 DDAB CNC(=O)c1cccc(COc2cccc(-n3cnnn3)c2)c1 72283343 SQZBJHZEQGKBBM-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3o2)C1 84935951 ZWUAAUDRGJONKI-NSHDSACASA-N 308.359 1.319 0 40 DDAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(=O)O 88376298 XMHMHCHSYVZVPS-KOLCDFICSA-N 313.737 1.419 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)c1ccsc1 89532541 OMPKAVNURWWJNM-GFCCVEGCSA-N 316.404 1.539 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(Cc3nnc(C(C)C)o3)CCO2)n1 75132207 OBRJUAYDMYQAOF-CYBMUJFWSA-N 320.397 1.302 0 40 DDAB O=C1NC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)N1 89874897 SNQVGYQXESZNIP-ZYHUDNBSSA-N 314.345 1.215 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccnc2ccccc12 89919997 DHISSCDUTBORLY-NWDGAFQWSA-N 318.398 1.882 0 40 DDAB Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)O)o2)c1C#N 547613365 WZEHXGDSIFUXMS-UHFFFAOYSA-N 320.326 1.636 0 40 DDAB COc1cc2ncnc(N3CCC(CO)CC3)c2cc1OC 143481382 CPDBXOZYUONXMF-UHFFFAOYSA-N 303.362 1.856 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](C)[C@@H](CNc3ncccn3)C2)n[nH]1 1039848282 WULINBPNRJKPGN-AAEUAGOBSA-N 314.393 1.718 0 40 DDAB CCc1ccccc1O[C@H](C)C(=O)NCCCN1CCOCC1 30856792 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CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 222900020 NIBJKYJXTQTXQP-MLGOLLRUSA-N 322.380 1.858 0 40 DDAB NC(=O)C1CCN(C(=O)c2snnc2-c2cccs2)CC1 225789663 XNTNWTKJJFRXCB-UHFFFAOYSA-N 322.415 1.604 0 40 DDAB COC[C@H](C)S(=O)(=O)NCc1noc(-c2ccccc2)n1 193708614 ICOXXUDKTVPBHS-JTQLQIEISA-N 311.363 1.191 0 40 DDAB COc1c(N)ncnc1N1CCC(CCN2CCOCC2)CC1 574530742 FMOWPTNCRZKXSL-UHFFFAOYSA-N 321.425 1.006 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H](C)N2CCCCCC2=O)cc1 227115586 QPUDPCVQBWZNFK-LBPRGKRZSA-N 317.389 1.776 0 40 DDAB O=C(NCCn1cccc1)c1ccc(O[C@@H]2CCOC2)nc1 225710383 NXKBMJSOFYSIEP-CQSZACIVSA-N 301.346 1.481 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](CCO)C3)nn2)n1 96413730 OSWMVAWKTXRIGD-AWEZNQCLSA-N 301.394 1.878 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2cncn2C1 96207834 WFHVLMOBNMZWAX-GFCCVEGCSA-N 305.403 1.792 0 40 DDAB COCCN1CC2(CCN(CC3CCC3)CC2)[C@H](COC)C1=O 96209088 MGWFNRLQTWKLNP-MRXNPFEDSA-N 324.465 1.620 0 40 DDAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)Cn2cnnn2)CC1 96425771 FKSQFAXOWGGBJL-RUXDESIVSA-N 307.398 1.259 0 40 DDAB Cc1nn(C)c(C)c1OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 96424021 IRDJVNGFNQUMSJ-SECBINFHSA-N 319.283 1.353 0 40 DDAB Cn1ccc(CNC(=O)N2CCC(C3(C)OCCO3)CC2)c1 96485137 JWESHCPKPLNSCM-UHFFFAOYSA-N 307.394 1.710 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96058249 OLYKABWJGJVOKV-BPUTZDHNSA-N 304.390 1.928 0 40 DDAB Cn1cnc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 96081090 PKOOMMRIXLCDPN-IYBDPMFKSA-N 310.401 1.624 0 40 DDAB COc1ccc(OC)c([C@H]2C[C@@H](C)Nc3nc(CO)nn32)c1 95477199 YPFOOHSJLMIJFY-BXKDBHETSA-N 304.350 1.581 0 40 DDAB CCOC(=O)C[C@H]1C(=O)CCN1C(=O)OCc1ccccc1 95864623 PAKJWXUTGCGCIH-ZDUSSCGKSA-N 305.330 1.920 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257203276 APHQMIYJPGQNIS-HNNXBMFYSA-N 315.377 1.051 0 40 DDAB O=C(c1cnccn1)N1CCC(c2ccn3nccc3n2)CC1 257308649 TXNKXHCDGWINNQ-UHFFFAOYSA-N 308.345 1.539 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@H]1c1nc(C)cn1C 257308075 TVHXWECGYSENNY-ZDUSSCGKSA-N 301.394 1.851 0 40 DDAB COCCN1[C@H](C)CN(C(=O)[C@@H](N)c2ccccc2)C[C@H]1C 252585775 KZOQRNIXCGSPLK-FMKPAKJESA-N 305.422 1.254 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)ccn1 257272976 NESVLGPZHIWSDM-AWEZNQCLSA-N 320.780 1.840 0 40 DDAB CN(C)CCN1CC[C@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 299853157 GPXOGPUSWKNCEN-CVEARBPZSA-N 317.433 1.626 0 40 DDAB O=C(C[C@H]1CNCCO1)N1CCC[C@@H]1CCc1ccccc1 390835096 CJJMUFLDWZXNPN-SJORKVTESA-N 302.418 1.989 0 40 DDAB CN(C)C(=O)N1CC2(C[C@H](COc3ccccn3)CCN2C)C1 585102617 CCROEPBCIWJDSQ-CQSZACIVSA-N 318.421 1.538 0 40 DDAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1nnn(C)n1 585094462 JIISEXLLAPVMRA-CYBMUJFWSA-N 314.393 1.874 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4(F)CC4)C[C@H]3C2)cs1 585107619 WAVXCLOVRMOEDG-VXGBXAGGSA-N 309.410 1.844 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cccnc1)[C@@H](C)C2 585096930 CRAIUZCIFIJFFH-ZDUSSCGKSA-N 301.394 1.656 0 40 DDAB COc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccc1C 69462855 BGUDRWHAWVSKBI-LBPRGKRZSA-N 302.330 1.023 0 40 DDAB Cc1cc(OC[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)ccn1 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C[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101636146 NZROPEOKQRKBDT-AEGPPILISA-N 312.369 1.643 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 32679694 HSUJIUIMVZCIKH-UHFFFAOYSA-N 320.414 1.468 0 40 DDAB Cc1cc(C)n(-c2ccc(S[C@@H](C)C(=O)N(C)C)nn2)n1 21562675 GGVKJSCVYPMGGH-NSHDSACASA-N 305.407 1.848 0 40 DDAB O=C(NCCNc1cnccn1)c1ccc(Br)o1 32828256 RFWQBZLXHYJICS-UHFFFAOYSA-N 311.139 1.674 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 33026844 AKFJIMVGMRSTEO-UHFFFAOYSA-N 321.377 1.748 0 40 DDAB COC(=O)CN1CCN(C(=O)/C(C)=C/c2ccc(F)cc2)CC1 97102755 SWGRVFBCPXUKJI-ACCUITESSA-N 320.364 1.546 0 40 DDAB C[C@@H](NC(=O)Nc1nncs1)c1ccc2c(c1)CC(=O)N2 47157135 KGCUDAMBRYZIDM-SSDOTTSWSA-N 303.347 1.915 0 40 DDAB CN1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 22030243 DMUNWHNYOOHRBQ-WMZOPIPTSA-N 304.434 1.689 0 40 DDAB CCN1CCCC[C@H]1C(=O)NCCc1cccc(C(=O)NC)c1 77124610 OMLOIXZYAUCMSC-INIZCTEOSA-N 317.433 1.579 0 40 DDAB C[C@@H](CNc1ccccc1)NC(=O)N[C@H](C)c1nncn1C 79104270 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CCc1cnc(N2CCC[C@]3(C[C@@H](n4cnnc4)CO3)C2)nc1 107228800 SVSGQMDSOMCDRX-ZBFHGGJFSA-N 314.393 1.631 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C3C4[C@H]5C=C[C@H]4[C@@H]([C@@H]15)[C@H]32 104287304 AOHYTJBOCPQEPM-TXQAWEPOSA-N 305.337 1.204 0 40 DDAB C[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc(F)cc1 27348971 HJRFITZNAQEECA-CHWSQXEVSA-N 309.385 1.907 0 40 DDAB C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)C1 28576408 DQHFUSVUXSHUTD-QWHCGFSZSA-N 315.377 1.688 0 40 DDAB COC(=O)N1CCCN(C(=O)NCc2ccc(F)cc2)CC1 58178775 FWNJBQOYDCNDIT-UHFFFAOYSA-N 309.341 1.809 0 40 DDAB CN1N=C(C(=O)NCc2ccc(C(F)(F)F)cc2)CCC1=O 12624333 CJCAFZSRWDCMJS-UHFFFAOYSA-N 313.279 1.930 0 40 DDAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)NCc1ccco1 58293292 VWVYKPRQRHWZNR-NHYWBVRUSA-N 314.341 1.404 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)Cc1ccc2c(c1)OCCO2 58246449 BHRJLDXKILEXQS-UHFFFAOYSA-N 315.373 1.781 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cnn(C)c1 44944839 HTMMKFJBUGAEBY-SNVBAGLBSA-N 313.810 1.983 0 40 DDAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCNCC1 36123808 YNZSAWALMDCRMX-UHFFFAOYSA-N 310.297 1.179 0 40 DDAB in-vitro C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@H]1CCCO1 27865770 LOPOZQODIMXGSH-MWLCHTKSSA-N 318.295 1.551 0 40 DDAB Cc1noc([C@@H](C)N2CCC(c3ccnn3CCO)CC2)n1 58308573 JZLWDNPSKIPUFZ-LLVKDONJSA-N 305.382 1.507 0 40 DDAB CC(=O)NCCCNC(=O)N1CC=C(c2ccc(O)cc2)CC1 45137876 CGUZCEWIBHWEOX-UHFFFAOYSA-N 317.389 1.717 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)[C@@H](C)CO1 45448240 KUXOVGXXIHWEOB-QWRGUYRKSA-N 323.418 1.448 0 40 DDAB CN(Cc1cccs1)C(=O)CSc1nnc(N)s1 3342125 WZRMFAKYRUTALW-UHFFFAOYSA-N 300.434 1.933 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCC(C)C 48313470 AYFSUNHFJCGDOC-UHFFFAOYSA-N 300.362 1.455 0 40 DDAB CC1(C)Cc2c(sc3nc(SCC(N)=O)nc(N)c23)CO1 2420747 ICLKQWILKVQVNK-UHFFFAOYSA-N 324.431 1.702 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1 27530298 OAZICWNFIBMFIC-HIFRSBDPSA-N 307.390 1.945 0 40 DDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 11961823 VJMVTCXTMYDGPK-IBGZPJMESA-N 323.440 1.901 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 2655733 ISCGBFVWBBCFJM-UHFFFAOYSA-N 315.347 1.006 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)CCC3)n1 3405094 SEWXDBINERKNEV-UHFFFAOYSA-N 315.402 1.861 0 40 DDAB Nc1nc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nn1-c1ccccc1 13115668 BRQJUXMVCVVPRO-RYUDHWBXSA-N 309.329 1.305 0 40 DDAB CNC(=O)NC(=O)CN(Cc1ccco1)c1cccc(F)c1 71185337 LBNVVFNOHYTREI-UHFFFAOYSA-N 305.309 1.881 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 71144439 RNROTAVFTZZVAO-SNVBAGLBSA-N 322.352 1.935 0 40 DDAB COc1ccccc1N1C[C@@H](C(=O)N2CCSCC2)CC1=O 49208949 ZZFFHPNCBFSNFJ-LBPRGKRZSA-N 320.414 1.624 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(-n2cnnc2)c1 71288501 BWYKPZFFJZEABP-RYUDHWBXSA-N 300.318 1.563 0 40 DDAB O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1-c1cccnc1 65288241 OVILWVXHYZHIKU-UHFFFAOYSA-N 324.296 1.799 0 40 DDAB Cc1ccc(NC(=O)COC(=O)C2=NNC(=O)CC2)cc1Cl 4349026 OJQWONDLUMTSMT-UHFFFAOYSA-N 323.736 1.396 0 40 DDAB CN1CCN(c2cc(CNC(=O)N3CCCC3)ccn2)CC1 65417401 MEGLIAWBUPIASA-UHFFFAOYSA-N 303.410 1.139 0 40 DDAB Cc1cccc(C(=O)N2CCCN([C@@H]3CCOC3=O)CC2)c1 65493914 XIIGBLNCUGKVLM-OAHLLOKOSA-N 302.374 1.458 0 40 DDAB NC(=O)[C@@H]1CCN(CC(=O)N(Cc2ccsc2)C2CC2)C1 65553190 VDWWVRPWUORSPX-GFCCVEGCSA-N 307.419 1.046 0 40 DDAB Cc1nnc2n1C[C@H](NCc1cccc3c1OCCCO3)CC2 65542867 IWRYEXDRPGJGGQ-CQSZACIVSA-N 314.389 1.852 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccn(C)n3)ccc12 5336043 ZIKXVLHTKWQEIP-UHFFFAOYSA-N 313.313 1.852 0 40 DDAB O=C1CN(Cc2c[nH]nc2-c2cccs2)CCN1C1CC1 93444594 JJOPBDIDVBMGMS-UHFFFAOYSA-N 302.403 1.945 0 40 DDAB COc1c([C@H]2CCCN2CC(=O)N(C)CC2CC2)c(C)nn1C 72253774 KFIJWXZNQJVVPP-CQSZACIVSA-N 320.437 1.742 0 40 DDAB COC(=O)c1cc(/C=C/C(=O)NC(C)(C)C(=O)OC)oc1C 23176690 LYQQXJLIMOIWEC-VOTSOKGWSA-N 309.318 1.456 0 40 DDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2F)CN1 19735851 ACHONPVNQXFQLC-WPRPVWTQSA-N 318.142 1.871 0 40 DDAB CCOC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)COC)cc1 9313645 AQMQYLBMBZABBU-OCCSQVGLSA-N 311.378 1.228 0 40 DDAB COC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1O 66635755 CDBZZISREWUDNH-VIFPVBQESA-N 318.329 1.128 0 40 DDAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(c2ncccn2)C1 9421514 WJWRTLZQHMTYAY-CQSZACIVSA-N 314.393 1.096 0 40 DDAB C[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)NC[C@@H]1CCCO1 67228556 SGPBGJMMVMULMA-HYVNUMGLSA-N 318.417 1.744 0 40 DDAB Cc1ccc(CN(C)C(=O)CSc2nncn2N)c(C)c1 7015773 HGTDLMUXVVRTTR-UHFFFAOYSA-N 305.407 1.359 0 40 DDAB Cc1ccccc1OCCCC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 84247594 IINBZHVRGQUDIT-DZGCQCFKSA-N 320.389 1.303 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2c(=O)[nH]1 71793078 YABXSXCOEXSUCH-ZDUSSCGKSA-N 315.373 1.419 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 71796561 WBSKQAFCNQLEOO-QWHCGFSZSA-N 307.398 1.311 0 40 DDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ncccc1F 96496307 OWPDUSBTTMCBOZ-UHFFFAOYSA-N 312.370 1.880 0 40 DDAB NC(=O)CN(C(=O)/C=C/c1cnc2ccccc2n1)C1CCCC1 71821100 GVHCDOUPVYSDOS-MDZDMXLPSA-N 324.384 1.900 0 40 DDAB Cc1cnn(CCC(=O)N2CCN(c3nc(C)cs3)CC2)c1 71819852 MTZHFHPENJNICG-UHFFFAOYSA-N 319.434 1.695 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc3ccccc3o2)CC1 71867359 SHTOXJXDGPMGBX-HNNXBMFYSA-N 315.373 1.651 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ccnc3cc(F)ccc23)C1 97103065 HVIOBVXTXIBXQO-LBPRGKRZSA-N 323.393 1.892 0 40 DDAB COc1cccc(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c1 83877332 VVHWDFROBJGKAC-CABCVRRESA-N 316.401 1.707 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2Cc2nnnn2C2CC2)c1 70038459 ZFHNLONIRITQGT-CQSZACIVSA-N 301.398 1.568 0 40 DDAB Cc1nc(CC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)cs1 71904471 XEPDKJQWCPJJIZ-SECBINFHSA-N 316.448 1.418 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 69419362 XOZSKRNCVCGXAW-AAEUAGOBSA-N 320.389 1.687 0 40 DDAB Cc1nnc2n1CCN([C@H](C(=O)NC1CC1)c1ccccc1)C2 69461728 MQCLMZWQPRZPPQ-INIZCTEOSA-N 311.389 1.422 0 40 DDAB O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ncn[nH]2)CC1 69528468 ZBXLRYYXTMSSCW-UHFFFAOYSA-N 319.409 1.999 0 40 DDAB CCc1ccccc1NC(=O)C[C@@H]1SC[C@H](C(=O)O)NC1=O 20635121 SQEZZJVBZLVOGT-NEPJUHHUSA-N 322.386 1.262 0 40 DDAB Cn1ccnc1COc1ccc(NC(=O)c2nccnc2N)cc1 69599810 JTURNHXOYFJYJY-UHFFFAOYSA-N 324.344 1.624 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccccn1 69666223 ZTOHTJWNZWDVOB-FDMDGMSGSA-N 303.406 1.664 0 40 DDAB O=C1NC[C@H]2CN(Cc3c(F)cccc3N3CCCC3)CCN12 91865577 DFSXICFZWFKCNA-ZDUSSCGKSA-N 318.396 1.635 0 40 DDAB C[C@H](NC(=O)Nc1nnc(C(F)F)s1)C(=O)NC(C)(C)C 69844106 CSFWTXLCBHZALD-YFKPBYRVSA-N 321.353 1.900 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1nc(-c3ccco3)no1)CC2 69872234 STRBYVFXEDTXST-JTQLQIEISA-N 314.349 1.588 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCc3nnc(C)n3C2)o1 97199461 HNQSLMMSKLDTSK-ZDUSSCGKSA-N 312.377 1.983 0 40 DDAB CCOCCN1CCN(CCc2ccc3c(c2)CCO3)CC1 72304885 DRILJTXJNVGZLM-UHFFFAOYSA-N 304.434 1.818 0 40 DDAB CC(C)CCS(=O)(=O)NC(=O)C1C[C@@H]2CC[C@H](C1)C2=O 95971901 OEUOHZLDNRRLNJ-FOSCPWQOSA-N 301.408 1.484 0 40 DDAB Cc1ccc(C(=O)NCC(C)(C)NS(C)(=O)=O)c(O)c1C 95955955 BKKVYPNUDZVKEI-UHFFFAOYSA-N 314.407 1.067 0 40 DDAB O=C([C@@H]1CC1(Cl)Cl)N1CCC(O[C@H]2CCOC2)CC1 75093545 IOLRNKOERZPNNC-QWRGUYRKSA-N 308.205 1.977 0 40 DDAB CCC(=O)N1CCC[C@H](C(=O)N2CCOC3(CCCC3)C2)C1 89941655 XJOCPGHLLYYIEA-AWEZNQCLSA-N 308.422 1.807 0 40 DDAB CC[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H]1N(C)C 89948553 KLOWVMQPCQXKIC-RISCZKNCSA-N 317.389 1.430 0 40 DDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 64572880 PFFJAEPGKGNHJT-UHFFFAOYSA-N 302.421 1.117 0 40 DDAB Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)C3CC3)C2=O)c(C)c1 188620229 HEVODUFRLIMNJT-CQSZACIVSA-N 322.430 1.799 0 40 DDAB NS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCO3)cc1 3852425 LNMXVINGFQJQKQ-UHFFFAOYSA-N 306.343 1.675 0 40 DDAB biogenic O=C1C=C(Nc2cccc(N3CCCCS3(=O)=O)c2)CN1 524733426 QHJOXYVULRKOCP-UHFFFAOYSA-N 307.375 1.042 0 40 DDAB COc1ccnc(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)n1 532412548 RJZCGDMOXDKKSS-UHFFFAOYSA-N 321.358 1.165 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCCc2cccs2)c1 38946146 FLUFUJRNWZQMIZ-UHFFFAOYSA-N 318.398 1.732 0 40 DDAB Cc1cc(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)nn1C 79480963 IGVLEKFUAYJWCV-UHFFFAOYSA-N 318.377 1.376 0 40 DDAB COc1ccc([C@@H](O)CN2CCc3c(nc(C)n3C)C2)cc1 33726195 IFSBHVXPLMGYKF-KRWDZBQOSA-N 301.390 1.829 0 40 DDAB CSc1nc(N2CCOCC2)c2cc(C(=O)O)sc2n1 217684363 QOGLNXCJFHZPQY-UHFFFAOYSA-N 311.388 1.948 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1c2ccccc2C[C@@H]1C(=O)O 192638778 LEYLHGOOABEILB-GFCCVEGCSA-N 322.342 1.496 0 40 DDAB CN1CCC[C@](O)(CN2CCN(Cc3ccccc3)CC2)C1 41124064 FSSYUZQZBIITDW-GOSISDBHSA-N 303.450 1.261 0 40 DDAB CO[C@@H](C)CS(=O)(=O)NCCc1cn(C)c2cc(C)ccc12 195465487 LFVCIXWGKLQCBX-ZDUSSCGKSA-N 324.446 1.984 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 83627218 IJPQESCCIXDUKB-OTYXRUKQSA-N 314.382 1.115 0 40 DDAB Cc1nn(C)c2cnn([C@H](C)C(=O)N[C@@H](C)c3ccncc3)c12 41123752 NBYHISISRLKVKX-CMPLNLGQSA-N 312.377 1.912 0 40 DDAB COCCOc1ncccc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C 528963441 LQXQEFDGTBEHPG-BZNIZROVSA-N 321.377 1.796 0 40 DDAB CS(=O)(=O)N1CCCN(Cc2ccc(F)cc2Cl)CC1 48345072 TUTCATSTIODPIE-UHFFFAOYSA-N 320.817 1.946 0 40 DDAB Cc1nnsc1C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 85558930 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CC(C)N1C[C@H](C(=O)Nc2ccc(-n3cccn3)nc2)CC1=O 44911915 UWRSEWFFVGAFSZ-GFCCVEGCSA-N 313.361 1.463 0 40 DDAB Cc1ccc(N2CCCN(c3ccc4nnnn4n3)CC2)cc1 44977163 HFKJMZCVAGYXQU-UHFFFAOYSA-N 309.377 1.544 0 40 DDAB COc1c(CNCc2ccc(-n3cncn3)nc2)c(C)nn1C 58332757 JDNSQYHWSILOTJ-UHFFFAOYSA-N 313.365 1.003 0 40 DDAB CCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58344086 XTFVNLGXSICZEJ-INIZCTEOSA-N 316.449 1.852 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O 48374268 CHZXUBHNIFNYBS-WFASDCNBSA-N 312.316 1.965 0 40 DDAB CCOCCO[C@@H](C)C(=O)Nc1ncn(Cc2cccnc2)n1 58355905 UELILVIILYHMBE-LBPRGKRZSA-N 319.365 1.102 0 40 DDAB CC(=O)N[C@H](C(=O)N[C@@H]1CCc2nccn2C1)C1CCCC1 97197776 IEVVJAZGKVFYGR-HIFRSBDPSA-N 304.394 1.009 0 40 DDAB CN(CCN1CCOC1=O)c1ccnc(Cc2ccccc2)n1 97145166 MEIUIQBLXAFHCX-UHFFFAOYSA-N 312.373 1.956 0 40 DDAB COCCCNC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 29693561 CLDJWOHKWLCJIG-WDEREUQCSA-N 321.377 1.359 0 40 DDAB C[C@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)NC(N)=O 3520983 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CNC(=O)[C@H](NC(=O)c1c(C)noc1C)c1ccc(F)c(F)c1 65492459 MWHPUCBHAJVYFN-CYBMUJFWSA-N 323.299 1.787 0 40 DDAB NC(=O)Cn1cc(NC(=O)NCc2cccc(Cl)c2)cn1 65427879 ZPLROQSFLHFHAZ-UHFFFAOYSA-N 307.741 1.344 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCc4ccccc4C3)nc2n1 5346405 CNYFKVIBKGLKAA-UHFFFAOYSA-N 307.357 1.940 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccn1 6529092 OKADFRFHCMVHOG-UHFFFAOYSA-N 319.386 1.893 0 40 DDAB CC(C)(CC(N)=O)NCC(=O)Nc1ccccc1OC(F)F 96014186 HZENIVFFFVZVEE-UHFFFAOYSA-N 315.320 1.470 0 40 DDAB COc1ccc(CNC(=O)CCC(=O)NC[C@@H]2CCCO2)cc1 4672864 XUHQNWUURLZSJV-HNNXBMFYSA-N 320.389 1.387 0 40 DDAB CC[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 4660052 MWZIZCQYFAYRRK-VIFPVBQESA-N 308.197 1.498 0 40 DDAB CC1(C)S[C@H](CN2C(=O)c3ccccc3C2=O)N[C@@H]1C(=O)O 4664663 IWTQYSIKQIVUJY-GHMZBOCLSA-N 320.370 1.177 0 40 DDAB CC(=O)N1CCc2cc(C(=O)Nc3cnn(CCO)c3)ccc21 66381378 PMWFAWWDYVOBMO-UHFFFAOYSA-N 314.345 1.037 0 40 DDAB O[C@H](CSCc1ccon1)[C@@H](O)CSCc1ccon1 15108989 GZMCKUJVIPGXBF-TXEJJXNPSA-N 316.404 1.551 0 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1.136 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)Nc2ccn(C)n2)CC1=O 24472887 RQPMJBKNDAXMPO-LLVKDONJSA-N 314.345 1.420 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)c(Cl)c1 92181605 NJAXTKUXSNTPJT-ZJUUUORDSA-N 315.778 1.956 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)CCc2nc3ccccc3o2)CC1 69980755 VYGAYCQVNOJKOY-CYBMUJFWSA-N 317.389 1.285 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccsc2)C1=O 8777187 NSKCVECEUNNCGD-LBPRGKRZSA-N 323.418 1.673 0 40 DDAB Cc1cc(C)nc(SCC(=O)NC2CCN(C3CC3)CC2)n1 84114634 BWIRKIYDMDCDSS-UHFFFAOYSA-N 320.462 1.929 0 40 DDAB CN1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 95984638 AXVZWMOWANGXLY-QLFBSQMISA-N 324.808 1.617 0 40 DDAB O=C(NCCc1csc(N2CCCC2)n1)NCC1(O)CCC1 74500983 LTSWVVZALFGZSN-UHFFFAOYSA-N 324.450 1.500 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 306135683 OXSCNDDICJOBTB-MGPQQGTHSA-N 305.378 1.621 0 40 DDAB C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(Cl)cc1 22606708 QTWMKZIFLOLHPB-VIFPVBQESA-N 304.799 1.409 0 40 DDAB CC(C)(C(=O)N1CCc2c([nH]c3ccccc23)C1)S(C)(=O)=O 408008204 KRIBMWUCILUGOI-UHFFFAOYSA-N 320.414 1.876 0 40 DDAB CCc1nc(CC(=O)N2CCNCCC23CCOCC3)cs1 1551459078 YAQUNFAOYTTZTP-UHFFFAOYSA-N 323.462 1.619 0 40 DDAB Cn1nc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cc1C(F)(F)F 1553536970 HCRXTKUIWQWQNT-UFBFGSQYSA-N 317.315 1.072 0 40 DDAB Cc1cccc(O[C@H]2COCCN(C(=O)c3cnccn3)C2)n1 77265546 MKLDTJHSRNJSJO-CYBMUJFWSA-N 314.345 1.100 0 40 DDAB biogenic,in-vitro Cn1ccs/c1=N\C(=O)CCCNC(=O)NC1CCCCC1 42655805 UQFFRZLCWUJHLF-SDXDJHTJSA-N 324.450 1.926 0 40 DDAB Cc1cc(NC(=O)CSc2ccc(-n3cccn3)nn2)no1 70635195 WMAGCXMZMVOCKA-UHFFFAOYSA-N 316.346 1.690 0 40 DDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)[C@H](c1ccccc1)n1cnnn1 72405332 HHYGYMQXGYDRPP-OEAJRASXSA-N 309.373 1.591 0 40 DDAB Cc1nc(NCc2snnc2C)cc([C@H]2CNCCO2)n1 72387884 IZUCLVCYDYMTGI-LLVKDONJSA-N 306.395 1.218 0 40 DDAB Cc1ccc(C(C)(C)CN(C)CCN2C(=O)CNC2=O)cc1 75861651 JGJAPDCWQYPGDV-UHFFFAOYSA-N 303.406 1.756 0 40 DDAB C[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1cnn(C)c1 72563019 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1.424 0 40 DDAB CCOCC(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8983185 DFDPFOHAAYUZHD-LLVKDONJSA-N 310.781 1.846 0 40 DDAB C[C@H](C(=O)NCc1nc(C2CCSCC2)no1)n1cccn1 575616869 KQEMSXHBGUKMKW-SNVBAGLBSA-N 321.406 1.754 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)nc1 25003790 QLKIJBKIBFTMOW-SECBINFHSA-N 302.334 1.401 0 40 DDAB CCCN1C(=O)C[C@@H](N2CCN(c3ccccc3)CC2)C1=O 32540504 KKIZAEWPSRYCBF-OAHLLOKOSA-N 301.390 1.346 0 40 DDAB Cc1ccn2c(=O)cc(Cn3cnc4sccc4c3=O)nc2c1 17480253 TZHNHWCSQDPWBM-UHFFFAOYSA-N 324.365 1.823 0 40 DDAB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Br)c1 226321717 QEZKEHCEVBLRMB-WYUUTHIRSA-N 320.142 1.892 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)N(CC(=O)O)CC1CC1 36885583 NGSSMHGQXUHDCV-UHFFFAOYSA-N 304.412 1.292 0 40 DDAB CN1C[C@]2(CCN(C(=O)c3cccc(F)c3)C2)COCC1=O 2037984999 URPIZUFXOFSQSY-INIZCTEOSA-N 306.337 1.147 0 40 DDAB O=C(C1CC(F)C1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1565550749 IFKYWKOERAVEPJ-SLTXQBBLSA-N 303.381 1.862 0 40 DDAB 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313.423 1.006 0 40 DDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2cccnc12 25434969 SNFDGFJJBHMVHS-CQSZACIVSA-N 313.357 1.098 0 40 DDAB O=C(O)[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CCO1 43700957 PCPLQJVNDSKPMT-LLVKDONJSA-N 318.156 1.848 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100159434 MFXRVNBWYHSTOY-QLKXBERHSA-N 309.321 1.942 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)Cc3cccs3)c12 57279800 BLTMVXUWWHQKNX-UHFFFAOYSA-N 303.391 1.499 0 40 DDAB CS(=O)(=O)CCn1cc(C(F)(F)F)cc(Cl)c1=O 44869151 QGVDGFBIJCTOLB-UHFFFAOYSA-N 303.689 1.565 0 40 DDAB COc1ccccc1[C@H](NC(=O)N1CCC1)c1nccn1C 44892366 OQOSMFCXCBZWQY-AWEZNQCLSA-N 300.362 1.933 0 40 DDAB COC(=O)N(C)CC(=O)N1CCN(C)C[C@H]1c1ccccc1 48160292 VBPKTSQJXWDUEI-AWEZNQCLSA-N 305.378 1.200 0 40 DDAB NC(=O)CCN1CCN(C(=O)CCCc2ccccc2)CC1 58283844 AUHTZGIFGFLGFK-UHFFFAOYSA-N 303.406 1.029 0 40 DDAB CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC)o1 27706175 BGJMHXOSWWAIGV-GHMZBOCLSA-N 314.407 1.886 0 40 DDAB O=C(CSc1ccc2nncn2n1)Nc1ccccc1F 44900808 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308.403 1.538 0 40 DDAB CC(C)CCc1noc(CN2C(=O)N[C@]3(CCSC3)C2=O)n1 65479436 UYLUVJIBRVYXMY-AWEZNQCLSA-N 324.406 1.586 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CC[C@@H](c4ccccc4)C3)nc21 65415558 IAMGEYXXNHEMRA-CYBMUJFWSA-N 309.373 1.646 0 40 DDAB CCO[C@H](C(=O)NCC1(C(N)=O)CCOCC1)c1ccccc1 65532600 LKUXQIZUNPLSQN-AWEZNQCLSA-N 320.389 1.163 0 40 DDAB Cc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 4524447 RBAYYIVIUAOGRV-UHFFFAOYSA-N 307.357 1.887 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)C[C@@H](C)O1 4573907 AFGHERZMNNDYEC-VXGBXAGGSA-N 320.414 1.761 0 40 DDAB CC1=NN(C(=O)C(=O)Nc2ccccc2)[C@@](O)(C(F)(F)F)C1 4725133 BCNINFBUOPQMMK-LBPRGKRZSA-N 315.251 1.484 0 40 DDAB CS(=O)(=O)n1nc(I)c2ccccc21 4776538 BCSUCHJRHFPZLV-UHFFFAOYSA-N 322.127 1.449 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN2CCCC[C@@H]2C1 71839922 RGVLYYKWLDBDOM-OAHLLOKOSA-N 311.389 1.578 0 40 DDAB COCC(=O)N1CCN(c2nc3ccccc3nc2C)CC1 71811100 PJBLJSDWVXDZLT-UHFFFAOYSA-N 300.362 1.233 0 40 DDAB CN1CC(=O)N(CCCC(=O)NCc2ccc(F)cc2)C1=O 7667573 QBKCTPXJXWPWEW-UHFFFAOYSA-N 307.325 1.116 0 40 DDAB CCc1nn(C)cc1CNC(=O)N[C@H](CO)c1ccccc1 90823189 KUIASNAKXHUDHJ-OAHLLOKOSA-N 302.378 1.515 0 40 DDAB Nc1nccnc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 70014265 FXKIOEPNTJHGDE-SNVBAGLBSA-N 319.315 1.346 0 40 DDAB Cc1cn2nc(N3CCO[C@@H](Cn4cccn4)C3)sc2n1 69375370 BBMXDYFESHVPOG-LLVKDONJSA-N 304.379 1.201 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1 71875803 RLNNAHPFKZLPCT-AWEZNQCLSA-N 317.393 1.981 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(-c3ccoc3)no1)C2 69516569 ZVFCEWAJAACREW-UHFFFAOYSA-N 300.322 1.499 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 69895184 GSXXCWHEQRBYMI-UHFFFAOYSA-N 308.426 1.167 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 69894600 PZVGTDJFPAFJCK-STQMWFEESA-N 321.446 1.936 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@@H]1CCCn2ccnc21 84013892 QQDKVWDLOOJTKW-AWEZNQCLSA-N 303.410 1.356 0 40 DDAB Cc1cccc2nc(CNC(=O)Nc3nccn(C)c3=O)cn12 97375152 ZNSKGPJNKTVZCI-UHFFFAOYSA-N 312.333 1.058 0 40 DDAB Cc1ccc(Cc2nc(C(=O)NC(C)(CO)CO)cs2)cc1 97098079 URFXRNCIVRBTCD-UHFFFAOYSA-N 320.414 1.515 0 40 DDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282873 YOFWHWVCBZOKBF-NEPJUHHUSA-N 313.423 1.329 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1C 72294333 YQBIAHBHNZNTSU-UKRRQHHQSA-N 304.390 1.909 0 40 DDAB COc1ccc(CC(=O)N[C@@H]2CCc3nccn3C2)cc1OC 72278535 JPRRAWBGKVMRDA-CYBMUJFWSA-N 315.373 1.574 0 40 DDAB CCOc1cc(N2CCN(c3cc(C)nc(C)n3)CC2)ncn1 97163558 JGMAMMQXPOBHNV-UHFFFAOYSA-N 314.393 1.609 0 40 DDAB O=C([C@H]1CCN1C(=O)/C=C/c1ccccc1)N1CCOCC1 97134303 DNQOVNGDNDAJLK-LQYUOIDQSA-N 300.358 1.160 0 40 DDAB CNCc1ccc([C@@H]2CN(C(C)=O)C[C@H]2C(=O)N(C)C)cc1 72344094 XNPBZAFRAPPDPB-JKSUJKDBSA-N 303.406 1.056 0 40 DDAB C[C@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)O)n1 95969775 DOEMPUQPVCPHFD-LLVKDONJSA-N 301.346 1.869 0 40 DDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc3[nH]ccc23)O1 95986138 GPUYWDMNBMJJFV-NHYWBVRUSA-N 315.373 1.534 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccccc3)ccc21 9953015 RPNUNOLDMYSJKB-UHFFFAOYSA-N 309.325 1.962 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@@H]1CCN(C(C)C)C1=O 89587618 ZQGJNUREYWOMSJ-OAHLLOKOSA-N 321.396 1.985 0 40 DDAB C[C@@](O)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(F)(F)F 89900646 CEFRNWBVZNLCCI-CMPLNLGQSA-N 307.243 1.559 0 40 DDAB COc1ccnc(N2CCCN(C(=O)C(F)=C(C)C)CC2)n1 89914024 AFRBCVNEBMKHGJ-UHFFFAOYSA-N 308.357 1.787 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1cccc(CS(C)(=O)=O)c1 89938635 OPPOCWHASAMODL-GFCCVEGCSA-N 310.419 1.007 0 40 DDAB COC(=O)[C@H]1CN(C(=O)N[C@H]2CCc3ccccc3C2)CCO1 75582755 RXAYHEWUOWXJJQ-LSDHHAIUSA-N 318.373 1.127 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cncc(-c2cccc(C)c2)c1 1548448142 NSUPXPFIBSFYTQ-IAGOWNOFSA-N 311.385 1.774 0 40 DDAB CN(C)C(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 306138033 RNEXXIXVLJQDCF-ZDUSSCGKSA-N 314.451 1.671 0 40 DDAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C1(NCC(=O)O)COC1 306145604 KFEHDQQKAIZARR-LLVKDONJSA-N 316.398 1.369 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 77939911 ULPJKKHIYJLPED-ZFWWWQNUSA-N 304.390 1.909 0 40 DDAB C[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 79409886 BMQYPODQRWUAGO-RYUDHWBXSA-N 311.426 1.582 0 40 DDAB CNC(=O)[C@]1(C)CN(Cc2c[nH]nc2-c2ccccc2)CCO1 72379872 BBQMLOZCNVCCNZ-KRWDZBQOSA-N 314.389 1.414 0 40 DDAB CO[C@@H]1COCC[C@@H]1CN1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O 561261828 ZXCOFFHMTKEXEW-KSTCHIGDSA-N 308.378 1.101 0 40 DDAB CCOc1ncccc1CNC(=O)c1cccc(-n2cncn2)c1 79361449 MAKKQTKKZHJGNJ-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB CCOC(=O)[C@@H](C)N1CCCN(C(=O)OC(C)(C)C)CC1 40448884 AIKMHBGFMRDTMI-GFCCVEGCSA-N 300.399 1.881 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1Cn2ncnc2NC1=O 40386589 ZSTHMIBZKQKQOC-SECBINFHSA-N 319.752 1.837 0 40 DDAB CCCCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 225978159 UVMLRQHAPNJXOC-UHFFFAOYSA-N 312.435 1.931 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C[C@H](C)O)[C@H](C)CO)c(C)c1 190411961 FGPWSIKTFNKAAF-CABCVRRESA-N 308.422 1.885 0 40 DDAB c1ccc(-n2nnnc2N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 573239747 BHXQVSXIUGUDOB-GFCCVEGCSA-N 323.360 1.917 0 40 DDAB CCOc1cc(CNC(=O)Cc2c(C)n[nH]c2C)ccc1O 225540612 GWBSUSCHSBLDFY-UHFFFAOYSA-N 303.362 1.990 0 40 DDAB O=C(NC[C@H]1COCc2nc3cccnc3n21)c1cccnc1 96112549 BTUORFUYAQJUKD-LBPRGKRZSA-N 309.329 1.328 0 40 DDAB biogenic,in-vitro C[C@H](C(=O)N1CCOC[C@H]1c1cccn1C)N1CCSCC1 97379379 KREOUJCJJIPVEJ-HIFRSBDPSA-N 323.462 1.362 0 40 DDAB CCNS(=O)(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 97227855 NJQOZJUYCIFOIM-CYBMUJFWSA-N 322.434 1.994 0 40 DDAB CC(C)N(C)Cc1noc2c1CN(Cc1cncn1C)CC2 96084815 CQVFYTUQTSVFCQ-UHFFFAOYSA-N 303.410 1.807 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccoc2)CC12CCOCC2 96052111 WWDSLDNZVLIILY-AWEZNQCLSA-N 320.389 1.673 0 40 DDAB Cn1cc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cn1 96192258 JEQOYHROXBRKPB-SNVBAGLBSA-N 302.309 1.551 0 40 DDAB CCC(O)(CC)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12 96441008 UFULGNRNNYVXPU-UHFFFAOYSA-N 306.337 1.948 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 96066290 SUJJDKVWWVQPNV-UAGQMJEPSA-N 300.402 1.945 0 40 DDAB COc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 96098751 FCOUUOHGATYXBL-UHFFFAOYSA-N 315.377 1.870 0 40 DDAB O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccco3)CC[C@@H]21)C1CC1 96057584 SOHUCEXNPRWPNQ-BPUTZDHNSA-N 304.390 1.643 0 40 DDAB CC(C)CNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181820 CFONBDXVQCARDY-GJZGRUSLSA-N 308.353 1.496 0 40 DDAB Cc1cc(=O)n(-c2c(C)cc(S(=O)(=O)O)cc2Cl)[nH]1 95930574 ADDLWFWQQZHALP-UHFFFAOYSA-N 302.739 1.683 0 40 DDAB COCC(=O)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96100144 GMULQVDQODBKIN-QGZVFWFLSA-N 303.406 1.543 0 40 DDAB COc1cccc2c1CCN(C(=O)NC[C@H](C)[S@](C)=O)C2 96501297 GCEBLOKPHVQHHS-WIUDPPPLSA-N 310.419 1.530 0 40 DDAB CN(C)C(=O)CO[C@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1 96107701 OZIHLPPFHCFJIF-ZBFHGGJFSA-N 324.446 1.586 0 40 DDAB COc1cc(CCNC(=O)N[C@H](C)Cn2cncn2)ccc1C 96421524 QJQQZJQZMWRJBA-CYBMUJFWSA-N 317.393 1.526 0 40 DDAB COCCN1CCC(c2cnc(N3C[C@@H](C)OC3=O)cn2)CC1 257253924 KAWPVHCYTJKFHH-GFCCVEGCSA-N 320.393 1.648 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@H]1O 257323528 WKQXKUHVCTZMDY-IJLUTSLNSA-N 303.280 1.974 0 40 DDAB O=C(N1CC[C@](O)(CN2CCCC2)C1)C1(c2ccccc2)CC1 257332503 XXOLIACYLBAPAL-SFHVURJKSA-N 314.429 1.777 0 40 DDAB CC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CCN(C)C2 257333482 YBSQQCTXULQAHG-OAHLLOKOSA-N 317.437 1.604 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnco2)C1 257311087 UHWVEORAFJHDTP-NSHDSACASA-N 301.350 1.601 0 40 DDAB CCn1nc(C(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)cc1C 257218458 DDFHNNCCDDNXKB-CYBMUJFWSA-N 303.366 1.457 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H](c3nc(C)cn3C)C2)c1 257206473 BDPLOSDRVLXZQS-AWEZNQCLSA-N 301.394 1.640 0 40 DDAB O=C1NC(=O)/C(=C/N2N=C(c3ccccc3)C[C@@H]2C(=O)O)S1 256028149 WGULXPALORKROP-PAKSIRSJSA-N 317.326 1.374 0 40 DDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)C4CC(O)C4)CC3)O2)n1 585113480 OQZFNJRWNSNVSF-BPCQOVAHSA-N 321.377 1.362 0 40 DDAB CCCCn1nnnc1CN1CCc2c(nc(C(C)C)n2C)C1 69493140 XAAYBWSZICPAEJ-UHFFFAOYSA-N 317.441 1.888 0 40 DDAB O=C1NCCCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCO2 35255841 MSOFWCXNUSUHKU-LBPRGKRZSA-N 310.781 1.870 0 40 DDAB CCc1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)s1 44457608 JBBZHYRYMFELDK-SECBINFHSA-N 323.461 1.024 0 40 DDAB O=C(Cn1nnnc1C1CCCC1)N1CCc2ccccc2C1 54659573 UTCXCJBMMKGZFA-UHFFFAOYSA-N 311.389 1.916 0 40 DDAB COc1ccc(CC(=O)NC[C@@H]2[C@@H](C)C[C@H]3NC(=O)C[C@H]32)cc1 1775964363 JSRDUUSSPDCNJO-DANNLKNASA-N 316.401 1.515 0 40 DDAB biogenic,in-vitro Cc1ccc(OCC2CCN(C(=O)[C@@H]3CCCCO3)CC2)nn1 1775995420 UTUDWIFBHUVTMM-HNNXBMFYSA-N 319.405 1.972 0 40 DDAB CC(C)(CO)[C@@H](O)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 59689258 JLTVUDQTJZNYKA-QWHCGFSZSA-N 311.769 1.889 0 40 DDAB in-vitro O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN(C2CC2)C(=O)C1 89783236 QLGMDGOHBFMRNI-LSDHHAIUSA-N 302.349 1.762 0 40 DDAB COC(CNC(=O)C(=O)Nc1cc(Cl)ccc1C)OC 5251486 BQPKXGUCMFLNCT-UHFFFAOYSA-N 300.742 1.322 0 40 DDAB CC(C)CCNC(=O)NC(=O)CSc1nncn1C(C)C 5417181 MKOJXKJAVFUVCN-UHFFFAOYSA-N 313.427 1.823 0 40 DDAB O=C1NC[C@H](c2ccccc2)C12C(=O)NC[C@@H]2c1ccccc1 5902044 UJALMBUUULDXKH-QNRNLVPOSA-N 306.365 1.800 0 40 DDAB C[C@@H](C(=O)N1CCCC1)n1nc(-c2ccco2)cc(N)c1=O 12181344 CBVPIHZCNWQCQT-JTQLQIEISA-N 302.334 1.269 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(C)c1 14795433 CDICCHHJFNCWAT-UHFFFAOYSA-N 322.390 1.231 0 40 DDAB c1ccc(OC(CN2CCOCC2)CN2CCOCC2)cc1 19594167 XJIRGQAJAWNEGK-UHFFFAOYSA-N 306.406 1.098 0 40 DDAB COC(=O)c1ccccc1NC(=O)Cc1c(C)nc(C)[nH]c1=O 19937457 YMNRPYKEBJGJBM-UHFFFAOYSA-N 315.329 1.355 0 40 DDAB O=C(c1noc2c1CCCC2)N1CC[C@H](Oc2cccnn2)C1 225415528 FFQGSGFGPSNLKG-NSHDSACASA-N 314.345 1.637 0 40 DDAB CN1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 12230043 MBBPHNODKXPIPX-UHFFFAOYSA-N 311.432 1.452 0 40 DDAB c1ccc(N2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)cc1 1888897830 FZSGQBZGJREJST-CHWSQXEVSA-N 306.373 1.926 0 40 DDAB CC(C)N1C[C@H]2CN(Cc3ccc(F)cn3)CC[C@@H]2OCC1=O 2037981105 VEKIERGFXQFKLR-CJNGLKHVSA-N 321.396 1.678 0 40 DDAB CCOc1ccc(NC(=O)CN2C(=O)CS[C@H](C)C2=O)cc1 2711155 TWEPCIDFQGMOPO-SNVBAGLBSA-N 322.386 1.514 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(F)cc1 10332699 QIBPRWNRYHTDBE-GFCCVEGCSA-N 320.324 1.171 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)NCC(F)(F)F)cn2)C[C@@H](C)O1 30040476 PEPXZKMFUWZGPV-AOOOYVTPSA-N 317.311 1.987 0 40 DDAB CNC(=O)C1CCN(C(=O)NCCc2ccccc2C)CC1 31027696 HBBCJBDWZOJHFU-UHFFFAOYSA-N 303.406 1.705 0 40 DDAB CCCC(C)(C)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 50808815 IRMBXYUCQYJTFW-UHFFFAOYSA-N 308.378 1.868 0 40 DDAB Cc1noc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)n1 40549442 JXOMLKPBJBOUFL-UHFFFAOYSA-N 316.317 1.744 0 40 DDAB O=C(COCC(F)(F)F)N[C@@H]1CCCN(c2ncccn2)C1 40553670 ZWYGMQURWXXKFO-SNVBAGLBSA-N 318.299 1.141 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCSCC1 40540643 IHYVSNXJSXOVJY-UHFFFAOYSA-N 322.430 1.813 0 40 DDAB O=C(Cc1cccs1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 40512858 BUFIHTHHKFNJGO-ZFWWWQNUSA-N 324.446 1.144 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)/C=C/c1cccnc1 101178316 GHWIIJPRBAYXOY-QNPMYPMVSA-N 300.358 1.799 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OC)cc2)n1 559494 ZFNFKCJTBUTDHI-UHFFFAOYSA-N 320.378 1.219 0 40 DDAB C/C(Cl)=C/C[C@@]1(CN2CCCC2=O)C(=O)NC(=O)N=C1O 507269 MWKIGRYRMGKMHO-YWEYNIOJSA-N 313.741 1.334 0 40 DDAB CCN1C(=O)[C@](O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 565346 HRUUAOBJZBVKNP-KRWDZBQOSA-N 313.357 1.854 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1=O 76044589 NSNWVUJHPHWHPU-MNOVXSKESA-N 304.350 1.089 0 40 DDAB COC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 53100493 YXBSTTYZNSVUOE-UHFFFAOYSA-N 312.797 1.509 0 40 DDAB O=C(N[C@H]1CCN(CC2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 78571109 YIONWNUDDKCYPL-HOTGVXAUSA-N 319.449 1.236 0 40 DDAB O=C(NCCc1nc[nH]n1)Nc1nc(-c2ccccc2)ns1 78954328 KPGJHOZJGRZHIV-UHFFFAOYSA-N 315.362 1.687 0 40 DDAB O=C(C[C@H]1NC(=S)NC1=O)c1ccc(Br)cc1 3056912 AREVHGLWNYGHSY-MRVPVSSYSA-N 313.176 1.395 0 40 DDAB O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(F)c(Cl)c1 42105326 HRNGKBVLIVGSMT-UHFFFAOYSA-N 320.773 1.148 0 40 DDAB CNC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107871 WUUWMWFNPZNTDA-UHFFFAOYSA-N 302.689 1.020 0 40 DDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 22910546 ABUOMMKZNBSIOC-NWDGAFQWSA-N 309.366 1.585 0 40 DDAB CS(=O)(=O)c1cccc(NC(=O)CN2CCSC2=O)c1 7945016 REMCSYKODVZHFS-UHFFFAOYSA-N 314.388 1.197 0 40 DDAB Cc1ccc(O)c(C(=O)Nc2ccc(OCC(N)=O)cc2)c1 23100466 JYCJQFXCUDRTRQ-UHFFFAOYSA-N 300.314 1.817 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 54691917 SNNDDEGEMVDEQU-XHDPSFHLSA-N 316.332 1.936 0 40 DDAB CCn1nc(C)c2nc(C)nc(NCCN3CCOCC3)c21 57355271 DINBKHVRRMSJIF-UHFFFAOYSA-N 304.398 1.207 0 40 DDAB C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 106911730 FTNOAGDJAFQXCS-WFASDCNBSA-N 312.410 1.824 0 40 DDAB Cc1cc(C)n(CCCNC(=O)CCc2c(C)nn(C)c2C)n1 53954286 ZKPPPQZHFPKLRZ-UHFFFAOYSA-N 317.437 1.989 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)c(C)c1 100377022 GLOJGCJSTYQMNZ-IDCJVQTKSA-N 313.353 1.499 0 40 DDAB Cc1ccc([C@H](C)NCC(=O)N2CCC3(CC2)OCCO3)o1 97374067 YGUDAGNEIYBYAP-ZDUSSCGKSA-N 308.378 1.604 0 40 DDAB CCN1CCN(c2ccc(CNC(=O)c3ccco3)cn2)CC1 57676778 DEBPTRJWKBNCLT-UHFFFAOYSA-N 314.389 1.747 0 40 DDAB CC[C@@]1(c2ccc(OC)c(C)c2)NC(=O)N(CC(=O)O)C1=O 57842185 PCYLZKLKJWMXNB-HNNXBMFYSA-N 306.318 1.245 0 40 DDAB Cc1noc(CN2CCC(C(=O)NCc3ccco3)CC2)n1 58215887 RPWCBVDQGOEXPW-UHFFFAOYSA-N 304.350 1.499 0 40 DDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1=NCCS1 12782109 VBIMXBMKKJAQTK-SNVBAGLBSA-N 307.375 1.520 0 40 DDAB COc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1 36694982 BZHUFKVBCKUWPU-YGRLFVJLSA-N 307.375 1.483 0 40 DDAB COc1cc(CN[C@H]2CCCCNC2=O)cc2c1OCCO2 45613392 BHIBYRGUKOQMJA-LBPRGKRZSA-N 306.362 1.225 0 40 DDAB C[C@H]1c2cccn2CCN1C(=O)CNC(=O)c1cccs1 29380055 MUDXGOPFTMIOJY-NSHDSACASA-N 303.387 1.883 0 40 DDAB O=C(CSc1nc(-c2cccnc2)n[nH]1)NCc1ccco1 59884992 LYDSAZUBGNOPKA-UHFFFAOYSA-N 315.358 1.868 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccco2)c1C 3587339 KTOVCOLJAVDDJW-UHFFFAOYSA-N 318.329 1.900 0 40 DDAB CN1N=C(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCC1=O 12910003 YUFKFQBGINIPIO-UHFFFAOYSA-N 314.345 1.126 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1 4195124 VKHXWSLKEIKURW-VIFPVBQESA-N 311.388 1.449 0 40 DDAB Cc1ccc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)o1 65439380 CPHNATWQIHYJDH-UHFFFAOYSA-N 314.407 1.218 0 40 DDAB CCN1CCN(CCNC(=O)c2sc(C(C)C)nc2C)CC1 65433711 RSZFNTPJWGZKJE-UHFFFAOYSA-N 324.494 1.942 0 40 DDAB O=C1CCC(=O)N1CCCNC(=O)C1(c2ccc(F)cc2)CC1 65589154 COBFKLDLQGPRKX-UHFFFAOYSA-N 318.348 1.513 0 40 DDAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)NC(N)=O 5362043 QMHUTGIDJTVKPV-QMMMGPOBSA-N 310.375 1.757 0 40 DDAB CCOCCO[C@H](C)C(=O)N(CC(=O)OCC)CC1CC1 65613193 UJXXPEAWPOSQNB-GFCCVEGCSA-N 301.383 1.230 0 40 DDAB CC[C@H]1CN(C(=O)NCc2cccnc2-n2cccn2)CCO1 65612411 VMMKGTJUGUKZBM-AWEZNQCLSA-N 315.377 1.588 0 40 DDAB CCC1(NC(=O)/C=C/c2cncc(C(=O)NC)c2)CCOCC1 95445772 TYUIIXLHKNXCLQ-SNAWJCMRSA-N 317.389 1.530 0 40 DDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCOCC2)CC1=O 15480381 FBMPGWPFSJQFTB-HIFRSBDPSA-N 302.374 1.455 0 40 DDAB CNC(=O)CN1CCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 80224437 KNAIOIPIQMKFLR-UHFFFAOYSA-N 319.453 1.160 0 40 DDAB CCCCN(CCO)C[C@@H](O)COc1cccc(C(C)=O)c1 68045848 YXTNWPKZEKPPHK-MRXNPFEDSA-N 309.406 1.723 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2c(CC)noc2C)C1 68136965 BDSKGKSVQXSLJZ-NSHDSACASA-N 309.366 1.896 0 40 DDAB CCOCCCNS(=O)(=O)c1cc(OC)c(C)cc1OC 7616265 UKNBCKXMKWHQFH-UHFFFAOYSA-N 317.407 1.717 0 40 DDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1 7688209 WXJAEOFBHNMDFM-SNVBAGLBSA-N 312.391 1.082 0 40 DDAB O=C1C(Cl)=C(NCCO)C(=O)N1c1ccc(F)c(Cl)c1 16755233 IVIOFPUZWMYSMK-UHFFFAOYSA-N 319.119 1.385 0 40 DDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCCC3)CC2=O)c1 8267144 QGMYWGCUSKCNME-GFCCVEGCSA-N 318.373 1.679 0 40 DDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ncn(C)c1=O 95442538 YNXZJPOQWGPTEX-SECBINFHSA-N 310.304 1.080 0 40 DDAB c1nc2n(n1)C[C@H](NCc1nc(-c3ccsc3)no1)CC2 69661446 PPIZJUHHNSVVCL-SNVBAGLBSA-N 302.363 1.494 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)C[C@@H]3CCCCO3)C2)no1 71870486 KWQOSBHEXVXOIU-CABCVRRESA-N 308.426 1.843 0 40 DDAB Nc1nc(S[C@@H]2CCN(c3ccccc3Cl)C2=O)n[nH]1 71893885 XNSVZORYGNZJCX-SECBINFHSA-N 309.782 1.938 0 40 DDAB COCCN(C(=O)c1nccc2ccccc12)[C@H](C)C(N)=O 69897321 QVFGUUXXERIQKJ-LLVKDONJSA-N 301.346 1.197 0 40 DDAB CC(C)NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 69897858 NAWYIMLZSVRYPA-OAHLLOKOSA-N 303.406 1.928 0 40 DDAB Cc1[nH]nc(C(=O)N2CCC(N(C)C)CC2)c1Br 71828405 ROSMFMVBGANCJP-UHFFFAOYSA-N 315.215 1.647 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2c[nH]nn2)C1 71910157 RZBKWCXEQRJKKU-LBPRGKRZSA-N 303.341 1.651 0 40 DDAB Cc1cc(NC(=O)CCn2nc(C(F)(F)F)ccc2=O)no1 95437114 YBAFXCLKBNSGDT-UHFFFAOYSA-N 316.239 1.587 0 40 DDAB O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1Cl 97020730 WYIVXQZGOBEHDR-WCBMZHEXSA-N 305.758 1.694 0 40 DDAB C[C@@H](NC(=O)CN1CCn2c(nnc2C2CC2)C1)c1ccco1 72268392 PMOOIEDOUZZVQA-LLVKDONJSA-N 315.377 1.442 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@@H](c3noc(C)n3)C2)c1 72231766 JFUFLDFMIQLYLU-CYBMUJFWSA-N 303.366 1.679 0 40 DDAB Cc1cnn(CCC(=O)N[C@H](CC(=O)O)c2cccs2)c1 72272839 VZJHCGTYBAXBHU-LLVKDONJSA-N 307.375 1.975 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC1Cc2ccccc2C1 95940954 PAXHDZYHLVQTMG-HNNXBMFYSA-N 322.430 1.084 0 40 DDAB COCCS(=O)(=O)N[C@H](C)c1cccc(-n2cccn2)c1 74972802 GJSXGPIWNMKWQD-GFCCVEGCSA-N 309.391 1.499 0 40 DDAB Cc1ccnc2nc(C(=O)N(CC3CC3)CC(F)(F)F)nn12 75093896 SSMFIIJQJJPWEU-UHFFFAOYSA-N 313.283 1.847 0 40 DDAB Cc1cnn(CCNCc2ccccc2OCC(=O)N(C)C)c1 75132798 VUZJFLMYCZBIRH-UHFFFAOYSA-N 316.405 1.448 0 40 DDAB CN(C(=O)Nc1cccnc1)[C@@H]1CCN(CC(F)(F)F)C1=O 75137570 CCJHQODVHGITKN-SNVBAGLBSA-N 316.283 1.709 0 40 DDAB COc1cccc(C(=O)NCCNC(=O)C2(O)CCCCC2)c1 86560783 SBBZZMVKFYJTFO-UHFFFAOYSA-N 320.389 1.236 0 40 DDAB CC[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1C[C@@H](C)O 89949217 QIECSTOMCMDVLK-WQVCFCJDSA-N 323.412 1.129 0 40 DDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)C[C@H]1CCCCO1 110579596 WWTPRSYLRKGSTQ-IGQOVBAYSA-N 315.435 1.828 0 40 DDAB O=C(c1c(-n2cnnn2)sc2c1CCCC2)N1CCCC1 32089700 LJFRYXSEAUHIED-UHFFFAOYSA-N 303.391 1.839 0 40 DDAB CC1(C)C[C@H](C(=O)N2CCC(n3cnnc3O)CC2)C(C)(C)O1 529220925 AHXUJGFFXWOHHM-GFCCVEGCSA-N 322.409 1.741 0 40 DDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2cccs2)CC1 32769153 CMFBCLHBZOQKEB-CYBMUJFWSA-N 321.446 1.609 0 40 DDAB COC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 79051383 YXGPLCUEAWMXIS-WDEREUQCSA-N 322.327 1.282 0 40 DDAB CCN(CC)CCCNS(=O)(=O)c1c(C)nn(CC)c1C 72239117 XRUNZONVWWSCPN-UHFFFAOYSA-N 316.471 1.530 0 40 DDAB COC(=O)[C@@](C)(CNC(=O)c1cc(C)no1)c1ccccc1 188466873 UPZPUBPECWBFIA-INIZCTEOSA-N 302.330 1.844 0 40 DDAB Cc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F 138910224 GVOQARWMFYFMJD-GHMZBOCLSA-N 300.380 1.788 0 40 DDAB CCc1c(C(=O)N2CCC(O)(CN)CC2)cnn1CC(C)C 567841369 AAHPPEKHEZYXJG-UHFFFAOYSA-N 308.426 1.027 0 40 DDAB CC(C)CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675668 ABVRQZMJKHPJTJ-UHFFFAOYSA-N 314.432 1.924 0 40 DDAB COc1ncc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1 224280113 RGCKKIAIKCCFFP-UHFFFAOYSA-N 319.317 1.763 0 40 DDAB O=C(C[C@@H]1COCCN1C[C@H](O)C(F)(F)F)c1ccccc1 134178973 CZRXPEKTAIDJOB-OCCSQVGLSA-N 317.307 1.883 0 40 DDAB C[C@@H]1C[C@@H]1NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 195539301 MISBPLBNETWOBD-XBVQOTNRSA-N 315.417 1.690 0 40 DDAB COC(=O)[C@@H]1[C@@H](NC(=O)/C=C/c2cnn(C)c2C)[C@H]2CC[C@@H]1C2 195546186 OATQTPSNFAPJEI-DOMUKANJSA-N 317.389 1.446 0 40 DDAB CC1(C)CCN(C(=O)NCc2ccsc2)CCS1(=O)=O 193459848 NZLLAUJBXITJBU-UHFFFAOYSA-N 316.448 1.857 0 40 DDAB C[C@H](NCC(=O)NC(C)(C)C)c1ccc(-n2ccnn2)cc1 96492471 CEFFYMZYPCOTBK-LBPRGKRZSA-N 301.394 1.833 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96239183 WVTMZNUEWVOORB-INIZCTEOSA-N 302.378 1.628 0 40 DDAB COC[C@@H]1CN(Cc2cccnc2)Cc2nnn(CC3CC3)c21 96060894 VSPWHUWPWJYVRI-HNNXBMFYSA-N 313.405 1.829 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 96239117 NPBAECIDEKRYHU-INIZCTEOSA-N 300.362 1.382 0 40 DDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(=O)NC(C)(C)C 91595046 RKDKOZSIWYRAIC-LBPRGKRZSA-N 321.425 1.788 0 40 DDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncccn2)n1 96081381 XZYIIDUYWKCOQK-HUUCEWRRSA-N 309.373 1.560 0 40 DDAB Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)cs1 96065479 ZSIIQTQAZKQHTB-CQDKDKBSSA-N 321.446 1.710 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1c(C)noc1C)C2 97199220 GHWSWUJKWTWNIL-CYBMUJFWSA-N 302.378 1.860 0 40 DDAB CCOc1cccc2c1CC[C@@H]2NC(=O)NCc1ncnn1C 96439808 KMSVPZQJACTSMK-ZDUSSCGKSA-N 315.377 1.701 0 40 DDAB CS(=O)(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 96216556 IVUHBGVSXXCXQQ-CQSZACIVSA-N 317.451 1.491 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)C(C)C)CCN1Cc1ccccc1 257341790 ZLZCFRAEXCXXPA-HNNXBMFYSA-N 303.406 1.101 0 40 DDAB CC(C)OCCS(=O)(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 252581645 HBQZUTCAFFUGLE-SOUVJXGZSA-N 316.467 1.157 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C)cn2)nc(C)n1 257235992 HAKCEYLJTQVIMY-AWEZNQCLSA-N 312.377 1.902 0 40 DDAB CN(C)c1cccc([C@@H]2CN(Cc3ccnn3C)CCO2)n1 257339018 YZWKUFRAYFCRSG-HNNXBMFYSA-N 301.394 1.455 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1 257240498 HTTLRSNYDMHLQG-CQSZACIVSA-N 311.407 1.204 0 40 DDAB Cc1nc(CS(=O)(=O)N2CCC[C@]2(C)C(=O)O)cs1 646043171 OPKYRTUATLZSFA-LLVKDONJSA-N 304.393 1.220 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc2ncccc2c1 575425797 WXEGLYPIUOPRMF-LLVKDONJSA-N 319.386 1.791 0 40 DDAB O[C@H]1CN(CC2(O)CCOCC2)CC[C@@H]1Cc1ccccc1F 585279779 OTFSTWGTKSAAIZ-WBVHZDCISA-N 323.408 1.593 0 40 DDAB Cc1cc(F)ccc1CC(=O)N1CC2(C[C@@H](CO)CN2C)C1 585093958 SPYJJGMZAXBXSP-CYBMUJFWSA-N 306.381 1.202 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1ccc(C)nc1)[C@@H]2C 585097544 LMABFDFVFXXTHI-CYBMUJFWSA-N 314.389 1.992 0 40 DDAB Cc1ccccc1C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1O 585279859 QZZAFIQAIJKJBV-SJORKVTESA-N 313.401 1.644 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@H](C)C2 585097535 LFJKYNOFMIDCCA-SNVBAGLBSA-N 304.350 1.413 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)n1 1065947760 USTVKEFWVPRNMH-BETUJISGSA-N 313.361 1.290 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)Nc1cc(F)ccc1F 73571826 ZFFGRTJQEUPVMZ-UHFFFAOYSA-N 316.267 1.708 0 40 DDAB COc1ccccc1C(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85436598 CPOABARZWLQRMF-OAHLLOKOSA-N 304.390 1.224 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCOCC1 40511842 PJIKDJBBAAGZOF-UHFFFAOYSA-N 305.378 1.696 0 40 DDAB COc1cccc(F)c1C(=O)N1CCC2(CC1)CC(=O)N(C)O2 1549162068 MZNFNBPSXASHRQ-UHFFFAOYSA-N 322.336 1.603 0 40 DDAB O=C(C[C@@H](C(=O)O)N1CCOCC1)Nc1ccccc1Cl 5636883 CQSMXWUOWPIGRU-LBPRGKRZSA-N 312.753 1.454 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(C)c3ncccc32)C1 12221967 WWTIZWVVEGFNNC-VXGBXAGGSA-N 302.378 1.240 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)NCCCN(C)c1ccccc1 12238900 BVEZJEKUWNFRII-UHFFFAOYSA-N 322.434 1.533 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N)CC1(CCOCC1)O2 12337516 WBXSWGUVHAYREP-GXTWGEPZSA-N 304.390 1.831 0 40 DDAB COc1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)cc1OC 12733002 DHPJMPRNVBLODX-UHFFFAOYSA-N 315.373 1.654 0 40 DDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)on1 13596680 UAKUZCNSRZPTEO-UHFFFAOYSA-N 309.347 1.486 0 40 DDAB CN(CCN1CCCCC1)C(=O)c1c2c(nn1C)CCCC2 19656521 NYRHNXBLPNEPDR-UHFFFAOYSA-N 304.438 1.857 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 169305189 YYWXQLYAGFRUQP-RSUATGCGSA-N 309.321 1.973 0 40 DDAB O=C(N1CCOCC1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889128731 SWIFAFFYXWZUIX-ZIAGYGMSSA-N 302.378 1.044 0 40 DDAB COc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cn1 21062055 OXUCTJAXWJHBQR-CHWSQXEVSA-N 321.421 1.708 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nn[nH]n1 6763212 XYKBAWKSVOHURZ-YFKPBYRVSA-N 302.121 1.913 0 40 DDAB O=C(c1ccn[nH]1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238867254 MBIBJJFWPXUHAT-QWHCGFSZSA-N 309.329 1.816 0 40 DDAB O=C(c1cncnc1)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224648 NWIJQKXJAAMXOQ-ZDUSSCGKSA-N 304.419 1.273 0 40 DDAB C[C@]1(C(=O)N2CCc3nc(C(N)=O)sc3CC2)CC=CCC1 1614934772 MSOBBENEKZQWKL-INIZCTEOSA-N 319.430 1.916 0 40 DDAB COc1cc(OC)nc(N2CCC[C@]3(CCC(=O)N3C)CC2)n1 1615102492 WBJKXBLMCLRKAE-INIZCTEOSA-N 320.393 1.475 0 40 DDAB Cc1ccc(CC(=O)N2CCC3(CC2)CNC(=O)CO3)cc1 1565545827 MQGAYWIMTDYWJT-UHFFFAOYSA-N 302.374 1.045 0 40 DDAB Cc1noc(CC(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)n1 1565554338 YAWSCFJPMSBFPH-ZDUSSCGKSA-N 322.409 1.022 0 40 DDAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccco1 11743636 ZCADZUHIZPDUKI-UHFFFAOYSA-N 310.313 1.328 0 40 DDAB CCn1cc(CN2CCO[C@@H]3[C@H](Cn4cccn4)CC[C@H]32)cn1 2055729689 WFHGKXRRIKYFQB-GVDBMIGSSA-N 315.421 1.779 0 40 DDAB O=C(Nc1nc(C(=O)NC[C@H]2CCCO2)co1)c1ccsc1 206623749 IKGCMIQIIIIMSH-SNVBAGLBSA-N 321.358 1.897 0 40 DDAB c1cncc(OCC2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1 2298081267 IOFPKTOQLGAXPR-UHFFFAOYSA-N 322.372 1.912 0 40 DDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC(F)(F)CC1 2298183906 YPYKVMOHKVGNCM-GFCCVEGCSA-N 310.348 1.951 0 40 DDAB Cc1nc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cn1C 50253171 AAURVEZGXSCPJJ-UHFFFAOYSA-N 313.310 1.367 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C)s1 20285079 WEXVAWMZLHJQNN-UHFFFAOYSA-N 303.405 1.850 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccncc2)cc1 40476681 OCWNFGSIIURJJO-UHFFFAOYSA-N 319.386 1.061 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1F 40432307 NBHSSTAQMNJQRK-QMMMGPOBSA-N 305.758 1.644 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 40465645 FOSHFDPOKNCPSP-BMFZPTHFSA-N 317.385 1.910 0 40 DDAB C[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@@H](C)O1 40465975 DUGDDHMZJKLCRE-PHIMTYICSA-N 307.781 1.957 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccc(Cn2ccccc2=O)o1 40488798 BHTAGHBOJNLATB-LBPRGKRZSA-N 302.330 1.398 0 40 DDAB Cc1cc(C(=O)N2CCCN(C(=O)c3ccncc3)CC2)on1 40535637 XHXSOQIDOWUMKR-UHFFFAOYSA-N 314.345 1.366 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(N2CCNC2=O)cc1 40514136 VFTNTSTWAYSJAD-LBPRGKRZSA-N 313.361 1.231 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cnn(-c2ccccc2)n1 40542883 UUKTTXSVYLHRPR-ZDUSSCGKSA-N 315.377 1.158 0 40 DDAB CC[C@](C)(CNC(=O)c1cn2ccccc2n1)N1CCOCC1 40523112 SNEMPQQEGIMCAD-QGZVFWFLSA-N 316.405 1.565 0 40 DDAB Cc1noc(C)c1COc1ccc(C(=O)NS(C)(=O)=O)cc1 40543806 ZUDPYTLNAJBCJT-UHFFFAOYSA-N 324.358 1.560 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNc2cnccn2)cc1F 32433715 HMYFJOQFLMMPSN-UHFFFAOYSA-N 310.354 1.315 0 40 DDAB CNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 32841514 MSHWKRFSBZBWMH-UHFFFAOYSA-N 311.263 1.919 0 40 DDAB CN(CC(=O)N[C@H](c1ccccc1)C1CCCC1)S(C)(=O)=O 46691049 WYFUGQGKXDMJGL-MRXNPFEDSA-N 324.446 1.926 0 40 DDAB CC(C)c1nc([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cs1 72284891 XBAWVNRXIHKCAG-VHSXEESVSA-N 316.448 1.878 0 40 DDAB CCC1(c2ccnc3cc(Cl)ccc23)C(=O)NC(=O)NC1=O 1569289 NQBOAPWYOGNIIC-UHFFFAOYSA-N 317.732 1.902 0 40 DDAB O=c1[nH]c(N2CCC[C@@H](O)C2)nc2c1cnn2-c1ccccc1 78804442 RIIBZMSHDUZIPZ-GFCCVEGCSA-N 311.345 1.070 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cncn1 41862877 QIHOSMBSZUYMLA-SMDDNHRTSA-N 302.334 1.013 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C12CC2)c1ccccc1 4104466 AAIVVQDGLIMYBQ-CRWXNKLISA-N 308.337 1.529 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)nn(C)c1C 53954259 HKFYGSZTCSEQFF-CQSZACIVSA-N 309.410 1.673 0 40 DDAB C[C@H](NC(=O)CN1CSCC1=O)c1ccc(F)cc1F 22957233 HAKJBANKGDRJCI-QMMMGPOBSA-N 300.330 1.675 0 40 DDAB CCNS(=O)(=O)c1ccc(CCC(=O)NC(C)(C)C)cc1 6891546 TZBIXESYSOMUIG-UHFFFAOYSA-N 312.435 1.832 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@H]2C[C@]23CCc2ccccc23)cn1 84318764 KSOOQSSACRYYJR-CZUORRHYSA-N 317.414 1.603 0 40 DDAB CCOc1nnc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)s1 72279790 DLHOAWZKTXWYCW-VXGBXAGGSA-N 314.455 1.214 0 40 DDAB O=C(Nc1ccccc1-c1n[nH]c(S)nc1=O)C(F)(F)F 8655813 OZQNVCWAOORAGI-UHFFFAOYSA-N 316.264 1.621 0 40 DDAB O=S(=O)(c1ccc2nccc(Cl)c2c1)N1CCOCC1 26444262 HNRPYQRREATOSS-UHFFFAOYSA-N 312.778 1.909 0 40 DDAB COCCN1CCN(C[C@H](O)c2ccc(C)c(C)c2)C[C@@H]1C 106841140 IOHGWMXSPWPXCR-WMZOPIPTSA-N 306.450 1.989 0 40 DDAB COc1cc(C(=O)NCCn2ccnc2)ccc1OC(F)F 43945855 YTBSGRLBEIPBLY-UHFFFAOYSA-N 311.288 1.923 0 40 DDAB O=C(CN1CCC(O)CC1)NCC1(c2ccccc2)CCC1 26372193 ZAWTWRILLZOEAC-UHFFFAOYSA-N 302.418 1.681 0 40 DDAB Cc1cc(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)no1 57378599 QBNBSJPIUFHSED-ZDUSSCGKSA-N 301.346 1.932 0 40 DDAB O=C(c1ccncn1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCCC2)C1 107713029 SZEXMUTWXXGHLE-IMJJTQAJSA-N 316.405 1.192 0 40 DDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1 27271836 SOJVWNOSWMYGJY-UHFFFAOYSA-N 306.387 1.849 0 40 DDAB O=C(CNc1cccc(Cl)c1N1CCOCC1)NC1CC1 44759042 VDBHYOWLPDQHGD-UHFFFAOYSA-N 309.797 1.867 0 40 DDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 100187664 BVTWCDONSLSBSI-NFAWXSAZSA-N 322.430 1.757 0 40 DDAB COc1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1 44908053 PMOOMHGWPVQTRP-SNVBAGLBSA-N 322.386 1.341 0 40 DDAB O=C(COCCOc1ccccc1)N[C@H]1CCN(C2CC2)C1 58370231 ZYOVQWRGHZXDPF-AWEZNQCLSA-N 304.390 1.435 0 40 DDAB Cc1cccc(OCCCNC(=O)N[C@@H](C)c2nncn2C)c1 45273915 WVYDKVZBEZPBJQ-ZDUSSCGKSA-N 317.393 1.953 0 40 DDAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nncc1=O 27546303 JDOYFDUONFYIFY-UHFFFAOYSA-N 303.174 1.951 0 40 DDAB COC(=O)[C@@](NNc1ccccc1)(NC(C)=O)C(F)(F)F 2356257 HABZCUVOUIXGQN-NSHDSACASA-N 305.256 1.171 0 40 DDAB COc1ccc(N[C@@H](C)C(=O)NC(=O)NC2CC2)c(OC)c1 28806158 SHOTWVVPQGKAGG-VIFPVBQESA-N 307.350 1.492 0 40 DDAB Cc1cc(=O)c(C(=O)N2CCO[C@@H](C)C2)nn1-c1ccccc1 11500127 WHCMKYTWLURZHW-ZDUSSCGKSA-N 313.357 1.402 0 40 DDAB COc1ccc(COCC(=O)NCCNc2cnccn2)cc1 48303890 QPHWWADTBAHETR-UHFFFAOYSA-N 316.361 1.230 0 40 DDAB CONC(=O)CN(C)C(=O)c1ccc(Br)s1 48477148 QGIUKVOZVQLOMT-UHFFFAOYSA-N 307.169 1.260 0 40 DDAB COc1ccccc1CCNC(=O)c1cc(=O)c(OC)co1 38516572 NYQHIUKAXHSPES-UHFFFAOYSA-N 303.314 1.630 0 40 DDAB biogenic COc1cn(C)c(C(=O)Nc2ccc3c(c2)OCO3)cc1=O 49543911 UEBPDLDUIRYKQL-UHFFFAOYSA-N 302.286 1.375 0 40 DDAB CC(=O)O[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Cl)cc1 4158932 YBSWYLSPLJXNLL-NEPJUHHUSA-N 303.767 1.481 0 40 DDAB O=C(COc1ccccc1)NCC(=O)Nc1nc2ccccc2[nH]1 5263029 HCVTUINUDBSNGI-UHFFFAOYSA-N 324.340 1.697 0 40 DDAB S=C(NC1CC1)NC1CCC(NC(=S)NC2CC2)CC1 6333567 ADBCLXXQZSCWKL-UHFFFAOYSA-N 312.508 1.551 0 40 DDAB CN(C)c1ccc([C@H]2CN(C(=O)c3ccnn3C)CCO2)nc1 72388068 CSBBLEFLDQGKEP-OAHLLOKOSA-N 315.377 1.095 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)CCn1cncn1 14110779 WYECEHXNSCTXOX-UHFFFAOYSA-N 303.322 1.274 0 40 DDAB CCOC(=O)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 14182877 LYTGWTQGALIHPI-UHFFFAOYSA-N 311.334 1.994 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)NCC1CCCCC1 14230636 HRBSQTWYCUGREW-UHFFFAOYSA-N 320.389 1.869 0 40 DDAB C[C@H]1Sc2ccc(C(=O)NCC(=O)NC3CC3)cc2NC1=O 9336778 JLWDHRZHBDSMAF-MRVPVSSYSA-N 319.386 1.128 0 40 DDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(OC(F)(F)F)cc2)CN1 14632590 RVUHHAJQRVEKRP-QWRGUYRKSA-N 305.252 1.868 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccccn3)C[C@H]2N1Cc1ccccc1 67897085 SCPBUALRFUYELQ-MSOLQXFVSA-N 323.396 1.693 0 40 DDAB biogenic,in-vitro COc1cccc(-c2noc(COC(=O)C3=COCCO3)n2)c1 7655165 WKYRKTVLRHMXOL-UHFFFAOYSA-N 318.285 1.677 0 40 DDAB CCN(C(C)=O)c1nc(CN[C@H]2CCc3ncnn3C2)cs1 71871732 UMZLLISIBWZLCX-NSHDSACASA-N 320.422 1.212 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 71841141 QJEBQELNYMNOOG-GFCCVEGCSA-N 300.362 1.817 0 40 DDAB Cc1cccc2nc(CNC(=O)N[C@H]3CCCC[C@@H]3CO)cn12 81494464 IMHQMEGTLOGERV-HIFRSBDPSA-N 316.405 1.993 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCS(=O)(=O)C2)cc1 8328500 JRDSCURZUMXSHH-OCCSQVGLSA-N 310.419 1.489 0 40 DDAB OCCN1CCC(CNCc2ccc(-n3cncn3)cc2)CC1 69418462 ADHVEXKZNISCCA-UHFFFAOYSA-N 315.421 1.061 0 40 DDAB CC(C)OCCC(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 69420805 GMJHWMVTOASIAB-UHFFFAOYSA-N 316.361 1.725 0 40 DDAB Cc1ccccc1CNC(=O)c1cc(C)c2c(=O)[nH]c(O)nc2n1 71916461 HXQCGZKAQVLLMI-UHFFFAOYSA-N 324.340 1.571 0 40 DDAB O=C(NCc1ccco1)[C@H]1CCCN1Cc1nnc(C2CC2)o1 71904912 UTDNOIBLSLICCP-CYBMUJFWSA-N 316.361 1.821 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)N=c1[nH]c2ccccc2[nH]1 17303772 YNWKDSXDUNKESR-UHFFFAOYSA-N 308.297 1.531 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 69659178 IXXZJDJMZPIBPX-ZIAGYGMSSA-N 313.405 1.737 0 40 DDAB COCCOCC(=O)N(C)CC(=O)Nc1cccc(C)c1C 69660493 URMKHXCNQSICKN-UHFFFAOYSA-N 308.378 1.363 0 40 DDAB C[C@@H]([C@@H](C)NCC(=O)NCCOc1ccccc1)n1cccn1 69741386 OBNSUHNIDAUZGW-CABCVRRESA-N 316.405 1.617 0 40 DDAB Cn1cc(CN2CCN(CCOc3ccccc3)CC2)cn1 69740551 JYWMVGMECCSSGX-UHFFFAOYSA-N 300.406 1.617 0 40 DDAB COc1ccc(F)cc1C[S@](=O)C[C@@H](C)CS(C)(=O)=O 95410994 AJADDZMITREZNG-DGIBIBHMSA-N 322.423 1.764 0 40 DDAB NC(=O)N1CCCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 69811985 LAIRWRDOXWNROM-UHFFFAOYSA-N 301.390 1.331 0 40 DDAB C[C@@H]1CN(CCn2cncn2)CCN1C[C@H](O)c1ccccc1 69870263 NLIDCCHSOCLTSQ-WBVHZDCISA-N 315.421 1.018 0 40 DDAB O=C(/C=C/c1ccco1)NCCC(=O)Nc1ccc(F)nc1 95423990 IFKRNEBAKZLOGE-GQCTYLIASA-N 303.293 1.972 0 40 DDAB Cc1[nH]c(=O)ccc1C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 97020898 SLBCONORQGSVIT-JOYOIKCWSA-N 306.387 1.987 0 40 DDAB O=C(NCc1cn[nH]n1)[C@@H]1CCCN(C(=O)c2cccs2)C1 97011655 GDSQZIXYCDJWDQ-SNVBAGLBSA-N 319.390 1.035 0 40 DDAB CN(C)CCNC(=O)Nc1ccn(-c2ncccc2Cl)n1 97052310 NUEANYPANBYMHW-UHFFFAOYSA-N 308.773 1.604 0 40 DDAB Cc1ncc(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)s1 73868583 OZWWVXCAICKHSH-CYBMUJFWSA-N 324.450 1.458 0 40 DDAB CCc1nc(CN(CC)S(=O)(=O)c2cccc(F)c2)no1 95977421 UZCZTWJWINLXBB-UHFFFAOYSA-N 313.354 1.982 0 40 DDAB CC(=O)NCCCS(=O)(=O)c1ncc(C(C)(C)C)s1 95977412 YKZHWJHYQOGZIU-UHFFFAOYSA-N 304.437 1.741 0 40 DDAB CCOc1cc(N2CCO[C@H](Cn3cc(C)cn3)C2)ncn1 95945040 OQGRGCCYRYJZRC-ZDUSSCGKSA-N 303.366 1.286 0 40 DDAB Cc1n[nH]cc1CNCC[C@](O)(c1nccn1C)C(F)(F)F 89534591 IVWKTUDWZDTSCG-LBPRGKRZSA-N 317.315 1.381 0 40 DDAB COCCOc1ccc(NC(=O)NCc2ncoc2C)cn1 89556268 RTRXNEWPPPOOGA-UHFFFAOYSA-N 306.322 1.725 0 40 DDAB Cc1ccc(NCCNC(=O)c2ccc(-n3ccnc3)nc2)nn1 75127560 FLSCSZTXAFDQPS-UHFFFAOYSA-N 323.360 1.208 0 40 DDAB CC(C)CCOc1ccccc1CNC(=O)[C@H]1CNC(=O)N1 89821176 LRALZEHTAXHXTL-CYBMUJFWSA-N 305.378 1.409 0 40 DDAB CCOC(=O)CN1CCO[C@@H](COc2cc(C)cc(C)c2)C1 217492754 XTFROZVLJHPVBT-MRXNPFEDSA-N 307.390 1.946 0 40 DDAB CCN1CCN([C@@H]2CCN(CCOc3ccc(F)cc3)C2)CC1 89977311 YCZIEKXXCRMMEY-QGZVFWFLSA-N 321.440 1.916 0 40 DDAB NC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 38854087 JHXSPNWWEOVZPA-UHFFFAOYSA-N 312.373 1.269 0 40 DDAB Cn1nc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)c2ccccc21 1553469565 NELZBFKBFTVMMI-HNNXBMFYSA-N 313.405 1.596 0 40 DDAB O=C(O)Cn1ncc2c([nH]c3ccc(Br)cc32)c1=O 408712425 AMNCSWXKPRBPEV-UHFFFAOYSA-N 322.118 1.725 0 40 DDAB NC(=O)C1CCN(C(=O)c2snnc2-c2ccccc2)CC1 36360778 BJYXYFKKKKXTQD-UHFFFAOYSA-N 316.386 1.543 0 40 DDAB NC(=O)c1cc(N)ccc1N1CCN(c2ccc(F)cc2)CC1 216882197 UYORTAMEJZWXMA-UHFFFAOYSA-N 314.364 1.833 0 40 DDAB COc1ccc(Cc2nsc(N3CCNCC3)n2)cc1OC 216642333 PHJASVVJXZETIZ-UHFFFAOYSA-N 320.418 1.556 0 40 DDAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc[nH]n1 72392181 GOGHBLOHZSPFHG-UHFFFAOYSA-N 316.361 1.373 0 40 DDAB CN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 72242318 GLQVIOBGABSKSX-ZFWWWQNUSA-N 306.337 1.204 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218568106 CNDNXYYGASASDE-SOUVJXGZSA-N 315.410 1.708 0 40 DDAB Cc1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)O)C2=O)o1 35648535 NBCCXIJGLPWTRH-HMXLAXJASA-N 313.356 1.235 0 40 DDAB COc1cc(-c2noc(C3CCNCC3)n2)cc2c1OCO2 66087752 HWEUIOSZCPUKQR-UHFFFAOYSA-N 303.318 1.941 0 40 DDAB COCC[C@@H](C)NC(=O)NC[C@@](C)(O)c1ccc(F)cc1F 79349463 DLMOKNVAMXCGDS-MEBBXXQBSA-N 316.348 1.897 0 40 DDAB Cc1snnc1C(=O)N1CCN(c2ccccc2F)CC1 72239929 WRLUNPFFPSOWQP-UHFFFAOYSA-N 306.366 1.948 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218515971 GOFMPXOHXQZUAS-RDBSUJKOSA-N 301.383 1.318 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@H](O)c1cccc(Cl)c1 225607993 SPFYZZBETCRILJ-ZDUSSCGKSA-N 323.780 1.936 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)N(C)C 225962395 ZYLVMRAJJUHHGY-UHFFFAOYSA-N 319.814 1.325 0 40 DDAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC(C)C)n1 225892669 BHYOPQUGWLISRT-UHFFFAOYSA-N 309.439 1.564 0 40 DDAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223584868 SHAPLXISHNGERX-UONOGXRCSA-N 302.403 1.385 0 40 DDAB Cc1cc(-c2nnn(CCCN3CCN(C)CC3)n2)ccc1F 130724808 HHXFLDUCNMANFY-UHFFFAOYSA-N 318.400 1.425 0 40 DDAB CCc1cc(=O)[nH]c(CN(CCO)[C@H]2CCc3ccccc32)n1 96467050 XLTQOHCUBUMYEO-INIZCTEOSA-N 313.401 1.814 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)Cn3cccn3)cc2)CCO1 96413143 GEQHILBMBCQPFI-ZDUSSCGKSA-N 300.362 1.747 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3c2nncs2)o1 96064088 LEFIOMODUIXDEI-MNOVXSKESA-N 304.375 1.933 0 40 DDAB O=S(=O)(NCCn1nc(C(F)(F)F)cc1C1CC1)C1CC1 96103767 VPTKLFNOPMFRKD-UHFFFAOYSA-N 323.340 1.861 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3cccnc3)C2)C1 96051952 CPEBGDBPPODJBJ-IAGOWNOFSA-N 305.422 1.251 0 40 DDAB Cc1cc(C(=O)Nc2nc(C(=O)NCC(F)(F)F)co2)no1 90583121 REFPFJWCHRPZEO-UHFFFAOYSA-N 318.211 1.515 0 40 DDAB Cc1ncc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 97103024 ZHJFVSDSKRZZQF-UHFFFAOYSA-N 322.434 1.605 0 40 DDAB Cc1cccc(CN2C(=O)CO[C@@H]3CN(c4ncccn4)C[C@H]32)c1 96246413 BJPCXNQBIRZDPS-HZPDHXFCSA-N 324.384 1.401 0 40 DDAB CNS(=O)(=O)c1ccc([C@H](C)NC[C@@H](C)SC)cc1 90725729 RLVCWTJPDATTSP-MNOVXSKESA-N 302.465 1.997 0 40 DDAB Cn1cccc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96239166 JAOXNAQWGOKFFW-GOSISDBHSA-N 324.384 1.689 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCSCC2)n[nH]1 95478347 RCGXFOSQPUNMEY-UHFFFAOYSA-N 305.407 1.616 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 96063951 CENVDEBVWZFTER-HOTGVXAUSA-N 316.405 1.192 0 40 DDAB Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2ccco2)CC3)cn1 96199755 DLSOXICYNAGFLP-HNNXBMFYSA-N 314.389 1.651 0 40 DDAB CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1 96403312 IBTOODDDXAHTDF-CQSZACIVSA-N 318.377 1.460 0 40 DDAB CC[C@@H](C)N(CC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2 237064921 ANLSKLWNMBYXLS-SNVBAGLBSA-N 304.346 1.897 0 40 DDAB O=C(NCC[C@@H]1CCOC12CN(C1CCC1)C2)c1cccnc1 247479041 IHPDNSFAWMHZRI-OAHLLOKOSA-N 315.417 1.845 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 257292028 QJQPCBAHWNZXTQ-ZDUSSCGKSA-N 322.372 1.546 0 40 DDAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2Cc2ncc[nH]2)n1 257251432 JQSQRPLKXFAALX-OAHLLOKOSA-N 300.366 1.118 0 40 DDAB C[C@]12C[C@@H](c3ccccc3F)N(CC(N)=O)[C@H]1CCCC(=O)N2 257279385 OGICYINEOPSKPE-ZQIUZPCESA-N 319.380 1.485 0 40 DDAB CS(=O)(=O)N1CCC(c2cncc(-c3ncc[nH]3)n2)CC1 257225559 FGSZSAFQJLUIJY-UHFFFAOYSA-N 307.379 1.006 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2ccncn2)ccn1 257336050 YMXYAWPJEJKLCZ-CQSZACIVSA-N 311.345 1.807 0 40 DDAB CC(C)N(CCS(C)(=O)=O)C(=O)c1cccc(C(=O)O)c1 263388822 DCXAVNIQGQYIAF-UHFFFAOYSA-N 313.375 1.280 0 40 DDAB O=C(O)C[C@H]1COCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 263374445 ZXOWTGCLTNXFSE-CABCVRRESA-N 319.357 1.506 0 40 DDAB O=C(NCCCc1ccccc1F)N[C@@H]1CCCCNC1=O 279552672 DMDXCEKYASNKDW-CQSZACIVSA-N 307.369 1.726 0 40 DDAB Cc1ccc(CCC(=O)Nc2ncn(CC(=O)O)n2)c(C)c1 647782428 MGDKGECRBPNBEH-UHFFFAOYSA-N 302.334 1.551 0 40 DDAB COC(=O)[C@H](C)Sc1n[nH]c(-c2ccc3c(c2)OCCO3)n1 390832985 ACCKKMGJKAUMEQ-QMMMGPOBSA-N 321.358 1.897 0 40 DDAB O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]1CCc1ccccc1 390835094 CJJMUFLDWZXNPN-IAGOWNOFSA-N 302.418 1.989 0 40 DDAB CO[C@H]1CSC2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 575405681 ZHKGSODBAWHVTP-OCCSQVGLSA-N 305.399 1.723 0 40 DDAB Cn1ccc(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)n1 575410868 OBDIPSAQAUDAMM-SNVBAGLBSA-N 311.338 1.361 0 40 DDAB Cc1nccc(N2CCO[C@@](CO)(Cc3ccccc3C)C2)n1 585276117 LYXZFWLMAFOLHH-SFHVURJKSA-N 313.401 1.904 0 40 DDAB CO[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1CCC(=O)N1CCCC1 585276856 RWVAOZYGROIYIM-HOTGVXAUSA-N 320.437 1.792 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2cn(C)c3ccccc23)CC[C@@H]1O 585260794 IXNQZOQJROMFHL-WMZOPIPTSA-N 315.417 1.640 0 40 DDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3ccno3)CCO2)c1 585275715 IODBWXGXCZHMHS-KRWDZBQOSA-N 316.357 1.429 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)Nc2cccs2)CC1 43980435 CTOWYXYRKZOWFT-UHFFFAOYSA-N 317.436 1.541 0 40 DDAB Cn1nccc1CNS(=O)(=O)C1=Cc2ccccc2CC1 45958464 QQKJSXUSWPFFTF-UHFFFAOYSA-N 303.387 1.827 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CCCN1C(=O)CN(C)C1=O 72702470 CMNLYMLFSNJOTL-LBPRGKRZSA-N 315.373 1.638 0 40 DDAB CCc1cc(CNC(=O)N2CCc3ccccc3[C@H]2CO)[nH]n1 89282758 UAJVIGIXHFTFKI-MRXNPFEDSA-N 314.389 1.773 0 40 DDAB C[C@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1N1CCOCC1 76053439 DSNPBDBNRWQVIW-DOTOQJQBSA-N 314.429 1.897 0 40 DDAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(N)=O)C3)[nH]n2)cc1 40489404 XLLAUYUCSMENEG-CYBMUJFWSA-N 312.373 1.723 0 40 DDAB NC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40554297 QGSHYBMIJIHPLW-KBPBESRZSA-N 324.402 1.118 0 40 DDAB NC(=O)C1(NCCn2cc(Br)cn2)CCCCC1 96461798 FCJVBJGTJUXFLW-UHFFFAOYSA-N 315.215 1.423 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc3nc(C)[nH]c3c1)CC2 12115997 QVHDXGSRXGVKRS-UHFFFAOYSA-N 323.356 1.462 0 40 DDAB COc1c2c(cc3c1[C@H](c1c(O)n[nH]c1C)N(C)CC3)OCO2 19690915 QVZFGTHUKWHQED-ZDUSSCGKSA-N 317.345 1.738 0 40 DDAB CC(=O)N1CC[C@@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 19748127 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COc1cc(CNCC(=O)N2CCCC2)cc2c1OCCO2 40091405 QWMSCNQLNRRMTR-UHFFFAOYSA-N 306.362 1.178 0 40 DDAB O=C(Cc1cccs1)NCc1cccnc1N1CCOCC1 30312888 RLLCEOSWUCOTFO-UHFFFAOYSA-N 317.414 1.839 0 40 DDAB CCOC(=O)N[C@H](CNC(=O)c1cccnc1OC)CC(C)C 31698624 OPCDQILFNBOGAM-LBPRGKRZSA-N 323.393 1.981 0 40 DDAB C[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(F)cc1 40549437 QLTKHNKHOHGLFQ-SECBINFHSA-N 305.313 1.390 0 40 DDAB COc1ccc(O[C@H](C)C(=O)N[C@H]2CCCCNC2=O)cc1 40521842 GDPYRBJGTMWYFC-RISCZKNCSA-N 306.362 1.247 0 40 DDAB CCc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)o1 31935542 TVLHYMBBLUANBT-INIZCTEOSA-N 324.446 1.780 0 40 DDAB O=C(COc1ccccc1Cl)NCCNc1cnccn1 32810035 IKILVYINFFWAIB-UHFFFAOYSA-N 306.753 1.737 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)o1 32913950 LAQYJZZQXXGJPA-SNVBAGLBSA-N 308.359 1.679 0 40 DDAB C[C@@H]1CN(CCNC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 32903044 YYAAPIUPQTVVML-VXGBXAGGSA-N 321.377 1.646 0 40 DDAB CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCOC1)c1ccc(C)cc1 41369977 XPQPZVSLKJXSMN-HOCLYGCPSA-N 304.390 1.715 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 81957 RXLABSIVFJHQMK-MISXGVKJSA-N 306.387 1.745 0 40 DDAB O=C(COCC1CC1)N1CCCN(Cc2cscn2)CC1 69810364 ADKJUYQSKMSXQD-UHFFFAOYSA-N 309.435 1.604 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)CN2CCCCCC2=O)cn1 69819725 IHCHIGZVODTDCR-CQSZACIVSA-N 304.394 1.486 0 40 DDAB CC(C)N1C(=O)C(=O)N(Cc2ccn(-c3ccccc3)n2)C1=O 69951790 BNOVERJCXACVLE-UHFFFAOYSA-N 312.329 1.572 0 40 DDAB CN(C)c1cc(CNC(=O)c2ccc(O)nn2)c2ccccc2n1 76089319 IVJOZLZOUYMMRB-UHFFFAOYSA-N 323.356 1.726 0 40 DDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCO[C@H](CO)C1 78936186 DFTGPZJWRKUAEW-GXTWGEPZSA-N 306.362 1.140 0 40 DDAB CC(C)N1C(=O)C[C@@H](NC(=O)Nc2ccc3c(c2)CCO3)C1=O 79104216 MARIDSZGJRLSMZ-GFCCVEGCSA-N 317.345 1.279 0 40 DDAB O=C(CSCC(=O)NCc1ccco1)NCc1ccco1 4375366 MLUQAINCAZSYBX-UHFFFAOYSA-N 308.359 1.538 0 40 DDAB CC(=O)c1ccc(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 69948190 VHCMOCTVAXQMLH-GHMZBOCLSA-N 312.391 1.655 0 40 DDAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 6945481 HAJQHJHISOOPFA-CHWSQXEVSA-N 312.435 1.967 0 40 DDAB CCn1cc(C2CCN(Cc3nnnn3C3CC3)CC2)cn1 97203411 KTKXZEUZNDGTEH-UHFFFAOYSA-N 301.398 1.604 0 40 DDAB COc1ccc(Br)cc1-c1nnc(S)n1N 8732352 WZLZESJKHMZQSV-UHFFFAOYSA-N 301.169 1.719 0 40 DDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)C1CCC(Cn2cnnn2)CC1 101655778 PBIWYSJSBSOPCW-IHTQCXBNSA-N 315.421 1.808 0 40 DDAB Cc1nccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 55837687 WKRFJEPEAAMSBW-HNNXBMFYSA-N 324.384 1.450 0 40 DDAB CCn1cc(NC(=O)NC2CCN(c3ncccn3)CC2)cn1 43637061 UKFFOGGNSMJNKL-UHFFFAOYSA-N 315.381 1.484 0 40 DDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(C[C@H]2CCOC2)C1 107322818 SBOATRUTMGIYEG-CABCVRRESA-N 307.442 1.149 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 26013620 ASUMUAGDLMQEAI-IUODEOHRSA-N 319.405 1.203 0 40 DDAB Cc1cc(N2CCCN(C(=O)c3ccccn3)CC2)nc(C)n1 57140696 KVEOSMBXMWLNHM-UHFFFAOYSA-N 311.389 1.841 0 40 DDAB O=S1(=O)C[C@@H]2SC(=S)N(c3cccc(O)c3)[C@@H]2C1 3296672 PZOXVLAOSAAIKU-ZJUUUORDSA-N 301.414 1.396 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)no2)cc1 28251655 QIGCRFVCIOKSHK-LBPRGKRZSA-N 320.370 1.567 0 40 DDAB C[C@@H]1CCc2c(sc3c2C2=NS(=O)(=O)CCN2C=N3)C1 3285361 KANYLSVHQLJLHA-MRVPVSSYSA-N 309.416 1.938 0 40 DDAB C[C@@H](NC(=O)c1nccnc1N)c1ccc(-n2ccnc2)cc1 12630001 BPKGRUXKMMJGFE-LLVKDONJSA-N 308.345 1.736 0 40 DDAB O=C(NCCn1ccnc1)C1CCN(C(=O)c2ccoc2)CC1 44670275 OWOYABXGXZIGIW-UHFFFAOYSA-N 316.361 1.145 0 40 DDAB COC[C@@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)C1CC1 110697422 DVHPCSIARBRJMJ-ZYHUDNBSSA-N 323.359 1.689 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 62119885 CQFBUBSLBGWWCH-MRVPVSSYSA-N 323.292 1.801 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)CN1CCCC1 48236454 FZBYGNVLHRLMTP-OAHLLOKOSA-N 306.406 1.694 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccnc(Oc3ccccc3)c2)N1 48288435 KTKYJORMPGAYPN-CQSZACIVSA-N 311.341 1.769 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NCC(C)(C)N(C)C 44874969 OKWBDYQKQYFDLC-UHFFFAOYSA-N 316.405 1.951 0 40 DDAB CC(=O)c1ccc(N2CCN(Cc3nc(C)no3)CC2)cc1 44895675 HUYDBBLBRFWRAW-UHFFFAOYSA-N 300.362 1.903 0 40 DDAB COc1ccc(F)cc1COC(=O)CCCN1C(=O)CNC1=O 12751006 KTTAVXBDFAETCB-UHFFFAOYSA-N 324.308 1.210 0 40 DDAB C[C@H](O)CNC(=O)NCc1ccc(F)c(Cn2ccnc2)c1 44966318 YMENTQIMLLSLTN-NSHDSACASA-N 306.341 1.251 0 40 DDAB COc1ccccc1NC(=O)N(C)C[C@@H](O)CN1CCCC1=O 44979983 ZSLBFYCGHWZALD-GFCCVEGCSA-N 321.377 1.142 0 40 DDAB COc1ccccc1CNC(=O)C(=O)Nc1cccnc1OC 44901130 WJJRBFRJWOTFBV-UHFFFAOYSA-N 315.329 1.354 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C 58357964 QFFFEWDFMHPXQC-SNVBAGLBSA-N 315.414 1.321 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2ccccc2c1=O 58342501 MHPCBSRBXAJGAS-MRXNPFEDSA-N 323.396 1.889 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1cc(C)cc(C)c1 58358004 ZEQLYEBQIKTOMB-OAHLLOKOSA-N 318.417 1.918 0 40 DDAB COc1ccccc1OCCNCc1c(C)nn(C)c1N(C)C 58416345 JEAADZPTXOQIAS-UHFFFAOYSA-N 318.421 1.972 0 40 DDAB Cc1ccc2nc(CN3C(=O)c4ccccc4C3=O)cc(=O)n2c1 10567671 SOEYQQLEHDQZAR-UHFFFAOYSA-N 319.320 1.799 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CC(=O)NC(C)(C)C 36650497 OJYHUIINIHAKGO-NHYWBVRUSA-N 320.389 1.588 0 40 DDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 3336838 UOCHLJUVFHCZEL-INIZCTEOSA-N 301.346 1.076 0 40 DDAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 29630926 NNFVKOKUTLQCIF-LLVKDONJSA-N 304.350 1.374 0 40 DDAB O=C(NCc1cc[nH]n1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48302927 DYXXSGUITSTEGO-KBPBESRZSA-N 308.382 1.279 0 40 DDAB Cc1nc(C)c(CCC(=O)Nc2ccc(C(N)=O)cc2)c(=O)[nH]1 12857570 KLQVUVUVBVYTFD-UHFFFAOYSA-N 314.345 1.057 0 40 DDAB Cc1ccccc1C(=O)OCC(=O)Nc1sccc1C(N)=O 3487169 FFZRZKYXVMTIRU-UHFFFAOYSA-N 318.354 1.951 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1C 408604882 FPLJSNABAFRCRN-CYBMUJFWSA-N 306.387 1.969 0 40 DDAB O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 3886980 YBNFARCMGBPBOI-OAHLLOKOSA-N 317.366 1.887 0 40 DDAB in-vitro COc1cccc2c1OC[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)C2 71796308 RZVZNVDGQMOZTD-MRVWCRGKSA-N 320.389 1.865 0 40 DDAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)O 6275369 HDUMCWYBGMYVIH-JTQLQIEISA-N 311.769 1.645 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)[C@@H](C)CO1 65437312 CRCLCQCDNJCDQG-STQMWFEESA-N 318.373 1.438 0 40 DDAB Cc1cccc(C)c1OC[C@H](O)CN1CCn2ccnc2C1 65594484 XCBFOQBJOJKFKX-OAHLLOKOSA-N 301.390 1.755 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C[C@H](C)O)c1ccccc1 65551138 NAUXBFPRNYXXOU-JTQLQIEISA-N 310.375 1.868 0 40 DDAB COc1ccc(CNS(=O)(=O)C[C@H]2CCOC2)cc1OC 65541485 JVKBITJJHRGLFS-LBPRGKRZSA-N 315.391 1.160 0 40 DDAB COC[C@H](C)NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 14187358 HPDXHYBLWQKKFJ-RSPDNQDQSA-N 302.374 1.978 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O 14112663 OAKIZTYKJPPSLN-NSHDSACASA-N 319.361 1.737 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 9051975 NAWCTXDTMIDZMO-NEPJUHHUSA-N 314.407 1.517 0 40 DDAB CCN(CC)S(=O)(=O)c1cc2c3c(c1)c(C)cc(=O)n3CC2 4520655 ZPDNBWRAZLYDSK-UHFFFAOYSA-N 320.414 1.897 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 14249022 HGWRACYRQSUFKH-NSHDSACASA-N 317.389 1.680 0 40 DDAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCO)ccc12 6659725 VQNYIJJXXICAIA-LLVKDONJSA-N 319.357 1.621 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c(OC)c1 4821412 MWDYKHNXLCGCKQ-QJLGLGQJSA-N 317.341 1.840 0 40 DDAB Cn1cc(CCC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cn1 67732565 AJFCQHUSGPXQIX-GFCCVEGCSA-N 324.450 1.169 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O 19708199 ALAZKHHIMOUNCX-UHFFFAOYSA-N 316.357 1.245 0 40 DDAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCNC(=O)C2)cc1 7844021 AOIVSIZEFRKEKC-CQSZACIVSA-N 317.433 1.494 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2Cc2nnnn2C2CC2)c1 70038457 ZFHNLONIRITQGT-AWEZNQCLSA-N 301.398 1.568 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 70038617 WVOJPTLXJKPUJB-CYBMUJFWSA-N 319.405 1.009 0 40 DDAB Cc1c([C@H](C)NC(=O)c2n[nH]c(=O)[nH]2)oc2ccc(F)cc12 69571500 FVQUOJQYUXFUCC-ZETCQYMHSA-N 304.281 1.783 0 40 DDAB CCc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)o1 69571012 ZZWSTIYQRNILDO-CQSZACIVSA-N 319.405 1.396 0 40 DDAB Cc1ccccc1OCC(=O)Oc1cccc(-n2cnnn2)c1 8511163 DDXAXMTWJJMUIY-UHFFFAOYSA-N 310.313 1.955 0 40 DDAB O[C@@H](CN1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 71897341 OFADHTUGHMZCFK-MSOLQXFVSA-N 304.434 1.907 0 40 DDAB CN(C)c1ncccc1C(=O)N1CCN(c2nccs2)CC1 71819716 PSQMYTGALJBEJF-UHFFFAOYSA-N 317.418 1.567 0 40 DDAB CCn1nc(C)cc1C(=O)N(CCN(C)C)Cc1ccccn1 71885760 RGUPIKMGAZVGPW-UHFFFAOYSA-N 315.421 1.810 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCCC[C@@H]2Cn2cncn2)no1 71876251 WNWBNPLNDLCAEU-CHWSQXEVSA-N 318.381 1.456 0 40 DDAB NC(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cn1 95441827 FILCMYWXMLYOAJ-UHFFFAOYSA-N 313.210 1.989 0 40 DDAB O[C@@]1(C(F)(F)F)CCN(c2cc(NCC3CC3)ncn2)C1 97022036 BBGBIKJYGULUAQ-LBPRGKRZSA-N 302.300 1.802 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@H](c3ccn[nH]3)C2)no1 72270588 VNFPZNMKVRXQPC-LBPRGKRZSA-N 303.366 1.914 0 40 DDAB CNc1snc(C)c1C(=O)N1CCn2c(nnc2C(C)C)C1 72279877 LQKHWRPWJKFRQN-UHFFFAOYSA-N 320.422 1.864 0 40 DDAB CCN1CCO[C@@H](CNCc2c[nH]nc2-c2cccs2)C1 72268796 PGHRIZUTINIBTF-ZDUSSCGKSA-N 306.435 1.949 0 40 DDAB O=C(NCc1cccc(-n2cccn2)c1)NC1CCC(O)CC1 72287171 YZRYABQBTNZXJD-UHFFFAOYSA-N 314.389 1.975 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)Cc1ccccc1 97107093 QLCDGRFKSBAQDC-ZDUSSCGKSA-N 313.419 1.832 0 40 DDAB Cn1ncnc1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 97142562 UPZBZPHJPDKONK-STQMWFEESA-N 301.350 1.857 0 40 DDAB CC(=O)NCCOCC(=O)N(C)Cc1nc2ccccc2s1 95465121 CNRDXAFEWXUTNG-UHFFFAOYSA-N 321.402 1.407 0 40 DDAB CCOc1nccnc1N(C)CC1CCN(C[C@@H](C)O)CC1 95460619 OANPJUUHEJNGGA-CYBMUJFWSA-N 308.426 1.404 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCc1ccccc1F 73448094 XZVDBZYDOHLTMZ-UHFFFAOYSA-N 315.348 1.578 0 40 DDAB O=C(O)CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)C1CC1 95969888 IRWUINLXBXSGJL-RMKNXTFCSA-N 311.341 1.961 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccncc2)c1C 9951824 ZIHUFUVLFOONLR-UHFFFAOYSA-N 316.313 1.853 0 40 DDAB Cc1csc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)n1 75497849 KWTMBVASRQJVHG-LBPRGKRZSA-N 310.423 1.638 0 40 DDAB CC(C)[C@@H]1C(=O)N[C@@H](CO)Cc2c[nH]c3cccc(c23)N1C 57363 LUZOFMGZMUZSSK-MLGOLLRUSA-N 301.390 1.662 0 40 DDAB biogenic,in-vitro O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1CCCO 38828596 DMUCOCPEARVGLM-UHFFFAOYSA-N 321.340 1.489 0 40 DDAB O=C(NCCc1ccccn1)C(=O)NCc1ccc(F)cc1 73742895 IZAPRDDVXFAMGP-UHFFFAOYSA-N 301.321 1.196 0 40 DDAB Cc1cccc(C[C@@H]2COCCN(Cc3noc(C)n3)C2)n1 72388172 IVYUOYYOGMYRFA-AWEZNQCLSA-N 302.378 1.773 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCc1cc(C)oc1C 70640477 HLKYYXOFMRGKAU-UHFFFAOYSA-N 316.357 1.838 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCN(C2CCC2)C1 557837076 MSQAQKPJOOECHG-LBPRGKRZSA-N 314.393 1.071 0 40 DDAB CC(C)N(C(=O)CS(=O)(=O)c1ncc[nH]1)c1ccccc1 78818770 PFAHACZRFUBQRY-UHFFFAOYSA-N 307.375 1.625 0 40 DDAB CCc1cccc(NC(=O)CSc2nnc(O)[nH]c2=O)c1 71405404 VOHKJRNEFQPWMI-UHFFFAOYSA-N 306.347 1.164 0 40 DDAB CN1CCC[C@@](O)(CN2CCN(c3ccc(F)cc3)CC2)C1 46087411 UDVNNKZCOYQKFI-KRWDZBQOSA-N 307.413 1.404 0 40 DDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cccc(F)c1)C(=O)N2 40386741 ZDMASXPKINTIRD-SECBINFHSA-N 303.297 1.323 0 40 DDAB O=C(O)C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCOCC1 72334050 UJMVXQPWUKUBED-LBPRGKRZSA-N 312.753 1.454 0 40 DDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NC(C)(C)C)s1 224530288 XAHVSYJBHZHINX-UHFFFAOYSA-N 306.413 1.209 0 40 DDAB CCNC(=S)Nc1nc(Cl)cc(N2CCOCC2)n1 225884072 BHWAJQNFJBXHAV-UHFFFAOYSA-N 301.803 1.273 0 40 DDAB Cn1ncc(C(=O)Nc2ccc(C(N)=O)cc2)c1-n1cccc1 44902654 PYIDTJGZXZYJRL-UHFFFAOYSA-N 309.329 1.562 0 40 DDAB CS(=O)(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226280392 KEDLEJIRJUPKNJ-UHFFFAOYSA-N 305.403 1.559 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)CCN2CC[C@@H](O)C2)cc1 96445722 WYIPUMYDEBRYMP-CQSZACIVSA-N 311.447 1.824 0 40 DDAB Cn1cc(CN2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cn1 96159504 XHQFTZDVVXFBQN-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB O=C(Cc1ccccc1O)NCC[S@@](=O)c1ccccc1 96408944 GRMSKBDNTBXHKX-NRFANRHFSA-N 303.383 1.859 0 40 DDAB Cc1noc(C)c1CSc1nnc(C2CCOCC2)n1N 96430269 FUVJFUXCWQMGOT-UHFFFAOYSA-N 309.395 1.783 0 40 DDAB Cn1nnnc1SCc1cn(-c2ccc(Cl)cc2)nn1 96461000 CKZPGVCVECBAEQ-UHFFFAOYSA-N 307.770 1.737 0 40 DDAB O=C(Cn1cncn1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 96417228 XIIWUXHOIDWSSK-LBPRGKRZSA-N 319.340 1.647 0 40 DDAB c1csc(CN2CCn3c(CN4CCOCC4)nnc3C2)c1 96058939 BOMSVEFPIWEZKK-UHFFFAOYSA-N 319.434 1.188 0 40 DDAB Cc1csc(COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 96442938 CCTXIKSYNGUOQJ-QMMMGPOBSA-N 322.308 1.906 0 40 DDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2OCC[C@@]2(COC)C1 96110340 WAJXJUUOETYOMQ-ZBFHGGJFSA-N 307.394 1.479 0 40 DDAB CCn1cc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)cn1 96445477 IBYNMRHAWMODRF-QKKBWIMNSA-N 305.403 1.753 0 40 DDAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccc(OC)cc1 96245783 RXQMCKFRCJJWBD-GJZGRUSLSA-N 318.373 1.157 0 40 DDAB CC(=O)Nc1ccc(NC(=O)Cn2c(C)cc(O)cc2=O)cc1 96231557 AQYNXMXPHFBWHM-UHFFFAOYSA-N 315.329 1.459 0 40 DDAB Cn1nnnc1COc1ccc(C(=O)Nc2nccs2)cc1 96101307 ZVZQFCYMSZJOSJ-UHFFFAOYSA-N 316.346 1.498 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H]1CCCCNC1=O 96415352 WSNITTYIPLGXET-RNCFNFMXSA-N 308.382 1.190 0 40 DDAB O=C(c1cc[nH]n1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238436 NIZJWYKXSJRVGE-QGZVFWFLSA-N 310.357 1.679 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1ccncc1 96200990 DFLGCIKXVCNSRG-CABCVRRESA-N 316.430 1.926 0 40 DDAB CC1CCN(C[C@H](O)CSc2nnc(N(C)C)s2)CC1 96501753 JBCUEMZPCXVVNF-NSHDSACASA-N 316.496 1.789 0 40 DDAB CC(=O)N1CC2(C[C@H](COCc3csc(C)n3)CCN2C)C1 248133767 NXSBJSINSNEFAA-CQSZACIVSA-N 323.462 1.911 0 40 DDAB O=C(O)COC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 247426954 SSXNNQOVFJZUAT-LBPRGKRZSA-N 313.309 1.834 0 40 DDAB CNC(=O)c1ccc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cn1 529705022 WDWATSTUNLYBGZ-UHFFFAOYSA-N 317.374 1.018 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccsc1 257221325 DOMARFRXWXVRRL-HNNXBMFYSA-N 316.386 1.084 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@H]1c1cnccn1 257303535 SHPVUKSFJMWHKL-AWEZNQCLSA-N 302.378 1.543 0 40 DDAB NC(=O)C1CN(C(=O)c2cncc(Cc3ccccc3F)c2)C1 257281315 OOPDPVOLIQXFKA-UHFFFAOYSA-N 313.332 1.369 0 40 DDAB Cc1csc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)n1 24708340 JFTFPARPIBPWLT-UHFFFAOYSA-N 304.375 1.102 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)CC[C@@H]1O 257335857 YMELUZSZSTZFAM-ROUUACIJSA-N 313.401 1.696 0 40 DDAB CO[C@H]1CCN(C(=O)CCn2ccc(C)n2)C[C@@]12CCCO2 257302595 SDMXEZLBBIDVSE-HOCLYGCPSA-N 307.394 1.378 0 40 DDAB O=C(Cc1ccccc1)Nc1ccc(CN2C(=O)CNC2=O)cc1 24864554 BWSHFXDNAMVBQC-UHFFFAOYSA-N 323.352 1.920 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 257244474 ILNDQNDFZOQUTJ-GFCCVEGCSA-N 314.393 1.594 0 40 DDAB COc1cc(OC)cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 257319148 VQYNRGAJWIJYGM-RDJZCZTQSA-N 321.373 1.460 0 40 DDAB CC(=O)N1CC[C@H](c2c(C(=O)N(C)C)sc3nccnc23)C1 257219439 DGTQRCCOYJTECQ-JTQLQIEISA-N 318.402 1.729 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2cnc(C)cn2)n1 257266358 MCQUVBGCIKVMEY-CQSZACIVSA-N 314.393 1.499 0 40 DDAB CCCn1ncnc1CN1CCN(c2cncc(F)c2)CC1 279072812 KLUJXAAQONBRQJ-UHFFFAOYSA-N 304.373 1.544 0 40 DDAB O=C(Cn1cccn1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605077 HCDNABVPMTYBRJ-NSHDSACASA-N 307.741 1.006 0 40 DDAB O=C(c1ccnc(F)c1)N1C[C@@H]2CN(CC3CCOCC3)C[C@@H]21 585108283 NSOYXLAFOLOBTL-GJZGRUSLSA-N 319.380 1.404 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@@H]1C 585096305 HFEPMLVGKPBNNC-LBPRGKRZSA-N 318.421 1.511 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)NCCCn1cccn1 30171747 AEJGLNWWUUIHRJ-UHFFFAOYSA-N 301.346 1.403 0 40 DDAB COC(=O)CCNC(=O)Cn1c(C2CC2)nc2ccccc21 69454203 MSEISPHBXSXBBG-UHFFFAOYSA-N 301.346 1.593 0 40 DDAB CCOC(=O)C1=C(CN2CCCCCCC2)NC(=O)N[C@@H]1C 57449438 WGVGIMNAFMZFFP-GFCCVEGCSA-N 309.410 1.771 0 40 DDAB O=C(N[C@H]1COc2ccccc2C1)c1cnc2ccccn2c1=O 53045415 NFXGPGPCOBPHJO-CYBMUJFWSA-N 321.336 1.428 0 40 DDAB Cc1nnsc1C(=O)N1CCC(COc2ncccn2)CC1 1775995830 KQQIEZBYWQGYJV-UHFFFAOYSA-N 319.390 1.568 0 40 DDAB Cc1cc(OC[C@H]2CCCN(CCn3nccn3)C2)ccn1 1776000715 HEGBTHLEYRZBOU-HNNXBMFYSA-N 301.394 1.773 0 40 DDAB c1ccc(-c2ncn(Cc3nnnn3-c3ccccc3)n2)cc1 78814874 YEWIVPBPJHYDTC-UHFFFAOYSA-N 303.329 1.969 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccc(N(C)C)nc1)c1ccccc1 96402537 MSGSMNKXPFWJJM-HNNXBMFYSA-N 313.357 1.792 0 40 DDAB O=C(Nc1ccncc1F)NC1CCN(C[C@@H]2CCOC2)CC1 97135935 LNYZGWOFPZBYCE-LBPRGKRZSA-N 322.384 1.843 0 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314.769 1.401 0 40 DDAB O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C1CC1 8986884 NKSCOBVMYKDLFU-SNVBAGLBSA-N 302.330 1.294 0 40 DDAB COCC(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 13695644 BFSLTWXCNHYUHC-CQSZACIVSA-N 304.346 1.340 0 40 DDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cn[nH]c2)C1 2055751016 YYFGYIVSPXBODN-MRXNPFEDSA-N 317.368 1.351 0 40 DDAB Cn1cc(-c2nccnc2CNC(=O)c2ccncc2F)cn1 575619211 IQWOTJBPAREAEW-UHFFFAOYSA-N 312.308 1.341 0 40 DDAB CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2cccs2)CCO1 30851759 RTLIVPSWESLDQJ-OLZOCXBDSA-N 310.419 1.953 0 40 DDAB Cc1ccccc1CCNC(=O)NCCCN1CCCC1=O 30986354 KYLVZLZADWOLSC-UHFFFAOYSA-N 303.406 1.849 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(OC)c(OC)c1 40477732 WIAAIRLGAHOWIN-SNVBAGLBSA-N 309.366 1.740 0 40 DDAB C[C@H]1CN(S(=O)(=O)N(Cc2ccco2)C2CC2)C[C@@H](C)O1 40496302 QFQDEOOIHTWVIX-TXEJJXNPSA-N 314.407 1.598 0 40 DDAB COc1ccc(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1F 40467515 OCHOGTSSMYTDND-NSHDSACASA-N 315.366 1.022 0 40 DDAB O[C@@H](CN1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 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CSCc1nnc(SCC(=O)NC(=O)c2ccco2)o1 32865480 BAEHZZABVIHWAS-UHFFFAOYSA-N 313.360 1.574 0 40 DDAB COC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 411817 VVVHNZQEZTWYFA-UHFFFAOYSA-N 310.313 1.857 0 40 DDAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N1CCc2ccccc21 33058263 LCRZPGXSAYXECV-TZMCWYRMSA-N 301.390 1.032 0 40 DDAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1=COCCO1 547466 NAKFBMVNZZETQD-UHFFFAOYSA-N 320.276 1.920 0 40 DDAB c1csc(-c2noc(CN[C@H]3CCc4ncnn4C3)n2)c1 69873061 VZNNKMPIVMBIFF-VIFPVBQESA-N 302.363 1.494 0 40 DDAB CC(C)[C@@H](CCO)NC(=O)Nc1ccccc1CC(=O)N(C)C 76070171 QKKWPDWRINIMBH-CQSZACIVSA-N 321.421 1.846 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N=C(O)CO2 53274868 ZHGBYNMFDXFEKH-GFCCVEGCSA-N 303.362 1.881 0 40 DDAB Nc1nc2c(ncn2-c2ccc(Br)cc2)c(=O)[nH]1 1652225 ZGXRGKPAKJMONK-UHFFFAOYSA-N 306.123 1.454 0 40 DDAB Cc1cccc(C)c1NC(=O)CNCCCN1CCOCC1 2655740 LERPWHREGGOAGB-UHFFFAOYSA-N 305.422 1.554 0 40 DDAB Cc1ccnc(NC(=O)CN(C)C(=O)c2cccc3[nH]ncc23)c1 69808701 CIWGXRPDRPMCHR-UHFFFAOYSA-N 323.356 1.977 0 40 DDAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 7779725 NGFJUFZFLGZIBA-WDEREUQCSA-N 302.330 1.652 0 40 DDAB C[C@@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)S(C)(=O)=O 47793841 HFIIGOIENIMWGE-VIFPVBQESA-N 321.345 1.680 0 40 DDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2)cc1 8158383 VPEBOKGWTZVRAO-UHFFFAOYSA-N 320.370 1.612 0 40 DDAB O=C(CN1CCS(=O)(=O)CC1)Nc1cc(Cl)ccc1F 96444094 PODQBGLUEIHRHP-UHFFFAOYSA-N 320.773 1.148 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCS(=O)(=O)CC1 71803913 IMFLOUCDYFYENA-CHWSQXEVSA-N 318.439 1.022 0 40 DDAB Cc1nn(-c2ccc(C(=O)OCC(N)=O)cc2)c(C)c1Cl 9248821 HINZZBSCDQJROC-UHFFFAOYSA-N 307.737 1.785 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C12CCC2 106916548 SNLYCJXFJIJRJF-FPMFFAJLSA-N 320.389 1.862 0 40 DDAB O=C(NC1CC1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 107147268 NTIDTMHPTVNLMQ-HOCLYGCPSA-N 303.406 1.331 0 40 DDAB CC(=O)NCCNC(=O)Nc1nnc(C2CCCCC2)s1 43603827 WANVDJHCNUVCGF-UHFFFAOYSA-N 311.411 1.843 0 40 DDAB Clc1nc2cc3c(cc2nc1N1CCOCC1)OCCO3 3289796 NHOJBCPRAPNUQE-UHFFFAOYSA-N 307.737 1.891 0 40 DDAB C[C@@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc(O)c1 3296647 YRLWHKWDKPOVLN-ZYHUDNBSSA-N 315.441 1.786 0 40 DDAB c1ncc(O[C@H]2C[C@H]3CN(Cc4ccsc4)CCN3C2)cn1 107746720 FAEGGLWVNGHJFD-GJZGRUSLSA-N 316.430 1.876 0 40 DDAB Cn1ncc2c(=O)n(CCC(=O)Nc3cccc(F)c3)cnc21 12620063 GJZDVCOALLFIIC-UHFFFAOYSA-N 315.308 1.298 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cc(C)on2)C1 44633869 BIUVKUHSSRGBHD-UKRRQHHQSA-N 305.378 1.905 0 40 DDAB Cc1nccc(C(=O)NCCNc2ncnc3sccc23)n1 48287662 WQCBWSCOVPVAJU-UHFFFAOYSA-N 314.374 1.632 0 40 DDAB O=C(NCCCN1CCCC1=O)N[C@H]1CCOc2ccccc21 48275481 FNYOFVHJRDOZGX-AWEZNQCLSA-N 317.389 1.822 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)c3ccoc3)CC2)n1 27587983 YNTZVDIGFIZBKF-UHFFFAOYSA-N 304.350 1.744 0 40 DDAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1ccccc1)C2 108527699 MXDDOZQEAAGJSQ-QAPCUYQASA-N 300.402 1.994 0 40 DDAB COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCCNC2=O)cc1F 44967100 AQSMAOVFMGYWRS-GXFFZTMASA-N 323.368 1.863 0 40 DDAB C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)[C@H](C)CO1 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Cn1ncc2c1N=C(O)C[C@H]2c1ccc(OCC(N)=O)cc1 49548947 PFWOTYOLNBPGJV-NSHDSACASA-N 300.318 1.408 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 4475872 DGAXAPNCZSSXIK-SJKOYZFVSA-N 317.389 1.614 0 40 DDAB COc1ccc(OCCC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 14186298 YQKXGFVMUYMVRX-NSHDSACASA-N 307.346 1.674 0 40 DDAB COc1ccc2oc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(C)c2c1 14137784 KRTFXCLRAYYVRP-JTQLQIEISA-N 323.370 1.667 0 40 DDAB COC(=O)CC(=O)OCC(=O)N[C@@H](CC(C)C)c1ccccc1 14199804 JARCDYXCIVLZED-AWEZNQCLSA-N 321.373 1.996 0 40 DDAB COC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 4884302 QNWTTXDDKMJSNW-UHFFFAOYSA-N 310.331 1.879 0 40 DDAB CCCCN(S(C)(=O)=O)S(=O)(=O)c1ccc(OC)cc1 5938185 ZMBCGBXTHLGBDR-UHFFFAOYSA-N 321.420 1.446 0 40 DDAB COC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccccc2)C1 67297788 DDCNXRQOEHNNHS-HUUCEWRRSA-N 317.389 1.930 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccccn3)cnc12 9364634 STYHPKGJSYUMJR-ZDUSSCGKSA-N 322.368 1.977 0 40 DDAB COc1cccc(CN(C)CC(=O)NC(=O)NC2CC2)c1OC 8064345 QRDBPAWVUPVOGN-UHFFFAOYSA-N 321.377 1.124 0 40 DDAB COC[C@H](C)N1C[C@@H](C(=O)NCc2ccc(C)cc2)CC1=O 8234977 WEDBCARHJIRLMF-ZFWWWQNUSA-N 304.390 1.495 0 40 DDAB O=C(CN1CSCC1=O)Nc1cc(-c2ccccc2F)no1 70037609 FUPFPZQCXMAFID-UHFFFAOYSA-N 321.333 1.952 0 40 DDAB O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1F 69464630 PUFHEFLHRNJXRE-XJKSGUPXSA-N 305.353 1.457 0 40 DDAB O=C(CN1CCCC[C@@H]1C1OCCO1)NCCc1cccs1 69489821 HSURQZAJZLNBIF-CQSZACIVSA-N 324.446 1.634 0 40 DDAB c1cnn(C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 69594973 UHYYQJZVCVDWRG-HNNXBMFYSA-N 315.373 1.555 0 40 DDAB COC(=O)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 17411947 LNWBWTFFCPQEQW-QMMMGPOBSA-N 316.151 1.506 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1 69698409 KJKDHZFYKXEXTE-GFCCVEGCSA-N 321.377 1.367 0 40 DDAB Cc1nn(CC(=O)N2CCN3CCCC[C@H]3C2)c(C)c1Cl 71839728 FPTXTAQERPEVKU-ZDUSSCGKSA-N 310.829 1.850 0 40 DDAB Cc1noc(Cl)c1CCC(=O)N1CCC(CC(N)=O)CC1 71830662 MPTYVPFPAMOSIU-UHFFFAOYSA-N 313.785 1.683 0 40 DDAB CC(C)(C)c1ccc(COC(=O)CN2CC(=O)NC2=O)cc1 69740075 AJNWDYRZZFOZAE-UHFFFAOYSA-N 304.346 1.579 0 40 DDAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(C)C2 69779968 KBTDASRGDOYIPA-UHFFFAOYSA-N 313.405 1.702 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1cccc(OCC(F)F)c1 71924406 NJYXSXFXBAEEGK-MRVPVSSYSA-N 301.293 1.004 0 40 DDAB O=c1c2ccncc2ncn1C[C@H](O)c1c(F)cccc1F 97080161 COOIIBJEQASFPX-ZDUSSCGKSA-N 303.268 1.803 0 40 DDAB O=C(COCCc1ccccc1)N1CCC[C@@H](n2cncn2)C1 72235007 BDSVCDSRJYZVRE-MRXNPFEDSA-N 314.389 1.701 0 40 DDAB CCN1CCC(Nc2cc(N3CCC[C@H]3CO)ncn2)CC1 72276021 JETRRIUEGCGDLG-AWEZNQCLSA-N 305.426 1.334 0 40 DDAB CC(=O)NC1(C(=O)N[C@@H]2CCc3nccn3C2)CCCCC1 97197636 QBXBRIQYOXSRJX-CYBMUJFWSA-N 304.394 1.153 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCn1cncn1 84736507 WYACOZPBDLOIQG-OAHLLOKOSA-N 313.405 1.925 0 40 DDAB CCNC(=O)[C@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1 84790991 DJJFROZEFYEXSF-LBPRGKRZSA-N 314.389 1.271 0 40 DDAB CC(C)[C@H](C)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1 73581656 CBCIEFXYQQKPCR-ZDUSSCGKSA-N 320.437 1.807 0 40 DDAB COc1ccccc1CNC(=O)C(=O)Nc1cccc(O)c1 9994245 MSJYTDATFNSFDU-UHFFFAOYSA-N 300.314 1.656 0 40 DDAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCc1n[nH]c(=O)[nH]1 75093033 KJPWGRDYADKFJL-QWHCGFSZSA-N 300.362 1.259 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc[nH]1 89832331 JUPCZUGOYHPGJV-HNNXBMFYSA-N 311.385 1.836 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1 89904363 KKRNJIVNLKRRKE-SMDDNHRTSA-N 306.341 1.444 0 40 DDAB CCC[C@H](C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O 409367054 BULRMWOVLOUXGQ-LBPRGKRZSA-N 304.456 1.886 0 40 DDAB COC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(C)=O 3846680 OJJFJJNHIQYZPV-AWEZNQCLSA-N 322.361 1.371 0 40 DDAB biogenic Cc1cc(C(=O)NC[C@H](O)[C@@H]2CCOC2)c2ccccc2n1 532145917 SSWLLQUZIBVRST-WBMJQRKESA-N 300.358 1.670 0 40 DDAB Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2[nH]ncc2c1 71871489 XSHGJFXJGDYXPL-LBPRGKRZSA-N 302.378 1.010 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1(COC)C(=O)O 218521373 MZCUCTNIHYFXLW-YRGRVCCFSA-N 316.350 1.444 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(Cc3cccc(O)c3)C[C@H]21 72336059 SXAHRIVJCQRHCB-CJNGLKHVSA-N 311.385 1.946 0 40 DDAB CC1(C)C[C@H](NC(=O)[C@@H](c2ccccc2)n2cnnn2)CCO1 71334112 ZICMPIYIFKBGPW-ZIAGYGMSSA-N 315.377 1.336 0 40 DDAB Cc1nccc(N2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)n1 72369059 UZYHGPNVLDSXFS-LBPRGKRZSA-N 312.377 1.366 0 40 DDAB CCc1oc(C(=O)O)cc1CN1CCN(c2cnccn2)CC1 566801749 FQHBJRPHEWQHAS-UHFFFAOYSA-N 316.361 1.652 0 40 DDAB Cc1nccc(N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 72385858 XPKFOARSFOHFCF-LLVKDONJSA-N 321.406 1.296 0 40 DDAB CN(C)C(=O)CN1CCC[C@H](c2cccc(CCC(=O)O)n2)C1 72367057 BMQWSRDYXKTZLM-ZDUSSCGKSA-N 319.405 1.366 0 40 DDAB CN(Cc1ccc(Br)o1)C[C@@H](O)Cn1cccn1 44974911 TUQXMFFKAMUACU-SNVBAGLBSA-N 314.183 1.732 0 40 DDAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1 131724604 HQDAAOXMPYEMBQ-SMDDNHRTSA-N 303.362 1.983 0 40 DDAB CCC(CC)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 225540724 PGICPPDCCOBEIN-UHFFFAOYSA-N 312.435 1.753 0 40 DDAB CCN1CCN(C(=O)CCn2ncc3c(C)cccc32)CC1 40758334 PARKPBLXLNPGFA-UHFFFAOYSA-N 300.406 1.899 0 40 DDAB Cn1nccc1CCNS(=O)(=O)c1c[nH]c2cccc(F)c12 195453782 WWYSZEGEDBPOHY-UHFFFAOYSA-N 322.365 1.562 0 40 DDAB O=C(O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(Br)cc2)N1 96300037 NCXSUUSJQUNXJK-QWRGUYRKSA-N 322.162 1.861 0 40 DDAB CN(C)CC(=O)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96110427 JKNBFCTYLZIGRX-PBHICJAKSA-N 319.405 1.030 0 40 DDAB c1ccc(CN2C[C@H]3CN(CC4CCOCC4)C[C@@H]3C2)nc1 96053832 VSOYUFAVQXDJRL-IAGOWNOFSA-N 301.434 1.872 0 40 DDAB CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccncc3)C2)O1 96052298 ICJZIWPIGQDQOU-IAGOWNOFSA-N 305.422 1.393 0 40 DDAB c1nc2n(c1CN1CCCC1)CCN(C[C@@H]1CCOC1)CC2 96196870 MMPSOXVHPKLLMZ-HNNXBMFYSA-N 304.438 1.374 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96057484 JWCHEPVSYKILLM-RBSFLKMASA-N 308.378 1.164 0 40 DDAB CC(C)c1cc(C(=O)N2CCCC2)nc(N2CCOCC2)n1 96100988 DFSZOEVKICDRPR-UHFFFAOYSA-N 304.394 1.673 0 40 DDAB Cc1cnc(N2CCc3c(C(=O)N4CCCC4)n[nH]c3C2)nc1 96066645 MIJTUKOJRSLUMA-UHFFFAOYSA-N 312.377 1.307 0 40 DDAB CC(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccccc3)C2)C1 96268761 NLODSGVTWPZPHS-KRWDZBQOSA-N 302.374 1.540 0 40 DDAB CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 96061139 SNYSWELHLYCJJX-OAHLLOKOSA-N 303.406 1.683 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2CCN(c3cccnc3)C(=O)[C@@H]2C1 96082055 ZEYQRBHHELJUNB-GDBMZVCRSA-N 322.368 1.602 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4nccs4)C[C@H]3O2)n1 96218617 KJCNOXBMCTUOCD-QJPTWQEYSA-N 306.391 1.667 0 40 DDAB C[C@H]1NC(=O)COC12CCN(C(=O)Cc1ccsc1)CC2 96201496 ZDBNCJFQNISLGV-LLVKDONJSA-N 308.403 1.187 0 40 DDAB CN1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 248164513 ZBMJABHDUBUMLK-CYBMUJFWSA-N 304.419 1.680 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@@H](c3nccc(C)n3)C2)n1 257230860 GEFNTODOUCCXNI-GFCCVEGCSA-N 315.377 1.679 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257288420 PUCSZBUNXCGBIE-HNNXBMFYSA-N 323.356 1.754 0 40 DDAB CCc1noc(CCC(=O)N2CCC(c3cnccn3)CC2)n1 257250596 JNFDYRFTOUZTJS-UHFFFAOYSA-N 315.377 1.761 0 40 DDAB Cc1cc(C)n(CC(=O)NCC(=O)Nc2c(C)cccc2C)n1 24953202 IAWIJRPKJUBWRW-UHFFFAOYSA-N 314.389 1.872 0 40 DDAB COC(=O)c1cn([C@@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)nn1 253430425 KYTNBOUAERAQMJ-CHWSQXEVSA-N 322.409 1.659 0 40 DDAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(C)c2)cc1C 25047773 PWOZMFWJAQDSDG-UHFFFAOYSA-N 314.389 1.425 0 40 DDAB CC(C)c1nccn1CC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585288668 HCFWKNLXBYIDPE-MRXNPFEDSA-N 305.378 1.357 0 40 DDAB CCn1c(CNCCCN(C)S(C)(=O)=O)nc2ccccc21 54174770 NRXNZAWQGGTHAX-UHFFFAOYSA-N 324.450 1.427 0 40 DDAB Cc1ccc(C)c(N(C)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 54273409 HRHHBPJIFHWWDK-AWEZNQCLSA-N 324.446 1.385 0 40 DDAB C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)N(C)C 57994763 AUSSCWMOPZSNNE-LLVKDONJSA-N 310.361 1.704 0 40 DDAB O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(Cl)cc1Cl 85468785 RNOUDXVITKRMRV-QOSJWCAFSA-N 304.173 1.855 0 40 DDAB O=C(CNC(=O)C1(Cc2ccccc2)CCC1)Nc1cn[nH]c1 95411714 WGGFFFZGRPPTQL-UHFFFAOYSA-N 312.373 1.877 0 40 DDAB CC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C(N)=O)C(C)C)c1 95467058 JXTNEAJQVXCEAB-ZDUSSCGKSA-N 306.366 1.585 0 40 DDAB C[C@@H](NC(=O)c1ccc(F)c(Br)c1)C(=O)N(C)C 80250570 XEKSMUDLJJIGHT-SSDOTTSWSA-N 317.158 1.795 0 40 DDAB CC(=O)N1CCC[C@]1(CO)CC(=O)NCCc1ccc(F)cc1 1615086999 NIOCGPXJWBLRJH-QGZVFWFLSA-N 322.380 1.248 0 40 DDAB O=C(O)CCNCc1cc(Br)c2c(c1)OCCO2 34962600 SXQXGSOILPVTSY-UHFFFAOYSA-N 316.151 1.785 0 40 DDAB CCn1c2cc(C)oc2c2cnn(CC(=O)N(C)OC)c(=O)c21 12183673 QDNOKSAMFBEUBY-UHFFFAOYSA-N 318.333 1.292 0 40 DDAB CC(C)OCCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937297 VEGJBFCIHOUVLT-UHFFFAOYSA-N 315.373 1.982 0 40 DDAB COc1ccc([C@@H]2CC(=O)C[C@H](Nc3nonc3N)C2)cc1 19974026 VRIGWJVJIDTWQC-WDEREUQCSA-N 302.334 1.978 0 40 DDAB CCOCCCNC(=O)c1ccc(CN2CCOCC2)cc1 19999460 BZWPTCQXPITKFN-UHFFFAOYSA-N 306.406 1.675 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)nc1 25003786 QLKIJBKIBFTMOW-VIFPVBQESA-N 302.334 1.401 0 40 DDAB Brc1cnc(N2CCN(c3ccccn3)CC2)nc1 1495478 OUAMCYWZBYLGDC-UHFFFAOYSA-N 320.194 1.961 0 40 DDAB CC(C)CN(CC(C)C)CN1C(=O)NC2(CCN(C)CC2)C1=O 20630040 GUWHVSQOEHNCEB-UHFFFAOYSA-N 324.469 1.574 0 40 DDAB O=C1CN(C(=O)COc2ccc(Cl)cc2Cl)CCN1 9653748 LTEAGEWAJSWWET-UHFFFAOYSA-N 303.145 1.331 0 40 DDAB Cc1noc(C)c1CN1CCO[C@]2(CCCCN(C)C2=O)C1 2037980719 GCVBUGLGXDQGED-MRXNPFEDSA-N 307.394 1.505 0 40 DDAB COC[C@H]1CN(C(=O)c2ncnc(C)c2C)Cc2cn(C)nc21 1147065960 OFTPJBHICJAKOV-CYBMUJFWSA-N 315.377 1.213 0 40 DDAB CC(C)N(C)Cc1noc2c1CN(C(=O)[C@H]1CCOC1)CC2 1565555884 IHZQCHLKFDVUTP-LBPRGKRZSA-N 307.394 1.436 0 40 DDAB CCS(=O)(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5222228 ALFLWVHRNBWAAI-SNVBAGLBSA-N 302.783 1.385 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)C1CCC1)CC2 2055739035 IXQZAZASKZBJLK-NSHDSACASA-N 305.378 1.586 0 40 DDAB Cc1noc(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)n1 44454778 HNSBPEYPXOGELA-UHFFFAOYSA-N 301.281 1.837 0 40 DDAB c1cnc(OC[C@H]2CCCN(c3ccc4nncn4n3)C2)cn1 2298215308 LXLFWBBQKKMGNP-LBPRGKRZSA-N 311.349 1.210 0 40 DDAB COCCNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 50083668 AYFFTVLNACWMDW-UHFFFAOYSA-N 323.418 1.644 0 40 DDAB CN1CCN(S(=O)(=O)c2cnn(C)c2)[C@@H](c2ccccc2)C1 40105629 IUVRDRHKIBHNEP-OAHLLOKOSA-N 320.418 1.098 0 40 DDAB CCCNC(=O)CCNC(=O)COc1ccc2c(c1)CCC2 40556289 XWILKNFWMPENIN-UHFFFAOYSA-N 304.390 1.587 0 40 DDAB CCCNC(=O)CCNC(=O)c1ccccc1OC(F)F 40556294 GMXBKXWHPCQYCQ-UHFFFAOYSA-N 300.305 1.934 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C)cc1F 51317757 BSGRHZTVQSDIPO-CYBMUJFWSA-N 318.352 1.932 0 40 DDAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(F)(F)F)cc1 32912797 MDIZICDAKQDVDJ-KWQFWETISA-N 319.304 1.855 0 40 DDAB CCCOC(=O)CCC(=O)NC(=S)NCc1ccccc1 12293884 ITGCVSAMXHOCGU-UHFFFAOYSA-N 308.403 1.911 0 40 DDAB C[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1 46965735 XZNPPTNRNPZJCU-GFCCVEGCSA-N 301.350 1.198 0 40 DDAB CCc1nc(CN(C)[C@@H]2CCN(Cc3cc(C)on3)C2)no1 76047404 KUKBMKDLEJEXGC-CYBMUJFWSA-N 305.382 1.635 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc(OC)cc12 1453825 CAGYJVPKKHLDGS-JMSVASOKSA-N 322.386 1.502 0 40 DDAB Cc1ccc(SCC(=O)Nc2ccn(CCC(N)=O)n2)cc1 78773770 VDIYKGOJVRCLAC-UHFFFAOYSA-N 318.402 1.798 0 40 DDAB CN(C)CC(C)(C)CNC(=O)c1cccnc1N1CCOCC1 41973138 OJVPQFBLQCKYKX-UHFFFAOYSA-N 320.437 1.236 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 3904563 FBZUBYSGXHVIFO-VZAMPYOESA-N 312.369 1.965 0 40 DDAB C[C@H](C(N)=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 47262305 UMDAGGKWGWNUIE-ZJUUUORDSA-N 310.785 1.259 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1ccccc1 4316740 UDCSGLFPWKYZPA-UHFFFAOYSA-N 301.371 1.989 0 40 DDAB CS(=O)(=O)n1nc(OC(=O)c2cccc(Cl)c2)cc1N 6408216 RXXCTVGPGLXAFI-UHFFFAOYSA-N 315.738 1.146 0 40 DDAB COc1ncnc2c1CN(C[C@@H](O)COc1ccccc1)CC2 97202037 SMDFEQOSFGWFOQ-CYBMUJFWSA-N 315.373 1.283 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1Cl 8092073 OXKKRVVAGFHWTP-UHFFFAOYSA-N 319.766 1.333 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)on1 42871316 XZPVWQPWLXILPI-QWRGUYRKSA-N 313.379 1.017 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178689 IBQWOTZOEXJQQK-ZFWWWQNUSA-N 316.401 1.758 0 40 DDAB CCOC(=O)c1ccc(OCC(=O)NC(=O)NC2CC2)cc1 24836257 AKEFEYFBMZHQAU-UHFFFAOYSA-N 306.318 1.230 0 40 DDAB CC(C)Nc1ncccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 106855170 KFCWNZUYTSKMKS-UONOGXRCSA-N 318.421 1.495 0 40 DDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)no1 72238025 UXWZBBMJSNFCMK-GJZGRUSLSA-N 315.329 1.520 0 40 DDAB CCN(CC)CCNC(=O)c1ccn(-c2ccc(OC)cc2)n1 57179428 ZPEBSRUYQSDVFV-UHFFFAOYSA-N 316.405 1.953 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100634641 MVEDZDROOIFVKH-WFGGJUAMSA-N 319.382 1.593 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cnc3ccccc3n1)C2 97198893 XQGDFJJMKJKDHU-LBPRGKRZSA-N 307.357 1.880 0 40 DDAB O=C(c1ccco1)N1CCN(C2[C@@H]3CCC[C@@H]2CNC3)CC1 100212066 LXPYTHANVWIFDN-ZIAGYGMSSA-N 303.406 1.426 0 40 DDAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCOCC1 27017775 CWJDAAJHRNHRRU-LLVKDONJSA-N 303.362 1.231 0 40 DDAB Cc1nn(C)c(C)c1CNc1ccc(N2CCOCC2)cn1 48237369 ILNNHHFTJGWLJC-UHFFFAOYSA-N 301.394 1.881 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 97960663 PBUYQTDJOVHRFO-NSHDSACASA-N 322.748 1.862 0 40 DDAB CC(=O)c1ccc(S(C)(=O)=O)c(NCCn2ccnc2)c1 97115222 CUDKVRJCUIOXNL-UHFFFAOYSA-N 307.375 1.601 0 40 DDAB CCO[C@H](C)C(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 58210722 BUGFEIXGERTVRD-LLVKDONJSA-N 309.366 1.129 0 40 DDAB Cc1ccncc1C(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108535095 QGGVHYMPBSKHCC-IRXDYDNUSA-N 315.417 1.715 0 40 DDAB O=C1CCc2cc(C(=O)N[C@H]3CCN4CCCC[C@H]34)ccc2N1 44941878 YFBWICFXXKNYDL-JKSUJKDBSA-N 313.401 1.928 0 40 DDAB CCN1CCN(C(=O)CCn2nc(C)c3ccccc32)CC1 57280029 HVVOKRRRMRJYEK-UHFFFAOYSA-N 300.406 1.899 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1cc(F)ccc1F 44935956 QLQOKSTXBMJLLD-SECBINFHSA-N 301.318 1.528 0 40 DDAB COc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc2c1OCCO2 27868174 BHOOAQURBBWEIL-CMPLNLGQSA-N 307.346 1.764 0 40 DDAB O=S(=O)(C1CC1)N1C[C@H]2C[C@H]1CN(Cc1nccs1)C2 109933007 AHYRPHBPAZEPFA-QWRGUYRKSA-N 313.448 1.141 0 40 DDAB CCN(CC)C(=O)CCCNC(=O)c1nc(C)n2c1CCCC2 72310134 BZKJKIBIDZQSIL-UHFFFAOYSA-N 320.437 1.906 0 40 DDAB CCc1n[nH]c(N2C(=O)c3ccc(OC)c(OC)c3C2=O)n1 36621650 XFTQVWVSBGGHIG-UHFFFAOYSA-N 302.290 1.185 0 40 DDAB O=C([C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1)N1CCOCC1 48363303 AUCPFXZVBGMYQX-LSDHHAIUSA-N 306.406 1.440 0 40 DDAB CC(C)C(=O)N1CCN(CC(=O)N[C@H](C)c2cccs2)CC1 12882101 OUBIQOILMDTZAG-CYBMUJFWSA-N 323.462 1.726 0 40 DDAB O=C(c1ccncc1)N1CCC(C(=O)N2CCCCC2)CC1 12856769 DNAIESFAZKWWHR-UHFFFAOYSA-N 301.390 1.946 0 40 DDAB O=c1[nH]c(Cn2cc(Br)cn2)nc2ccsc12 38074843 QIOXYFIXASELQA-UHFFFAOYSA-N 311.164 1.992 0 40 DDAB COC(=O)[C@@](N)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F 22078258 MZWDBROKSIMWEU-NSHDSACASA-N 309.240 1.299 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 13260843 BFLLXCFAVVSCNQ-YVARQFDVSA-N 301.342 1.958 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CC(=O)N(c2ccccc2)C1 65464599 DSRJKXYSTOZVCB-UONOGXRCSA-N 324.384 1.367 0 40 DDAB CC[C@H](CO)NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 95349442 AJEZNQGREYJNLG-VXGBXAGGSA-N 310.419 1.630 0 40 DDAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCC1 14161628 BAXOPNVQXWVAMX-UHFFFAOYSA-N 317.414 1.959 0 40 DDAB CC(=O)Nc1nc(C(=O)NC[C@@H](C(C)C)N2CCCC2)cs1 65609063 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CCCc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1 69739843 ZSSYUIWDGNXNPG-OAHLLOKOSA-N 324.446 1.793 0 40 DDAB O=C1CC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)N1 69920336 JNJCGGYTLIFBQZ-OLZOCXBDSA-N 308.765 1.519 0 40 DDAB CC(C)(NC(=O)c1cc2ccc(Br)cc2[nH]1)C(N)=O 71821890 SJFUWDLSWLRJAQ-UHFFFAOYSA-N 324.178 1.924 0 40 DDAB CCc1nnc2n1CCN(CC(=O)Nc1ccnn1C(C)C)C2 71871949 PFRIDIDEICQXLG-UHFFFAOYSA-N 317.397 1.072 0 40 DDAB O=c1nc(CN2CCCC[C@H]2Cn2cncn2)[nH]c2ccccc12 71879631 LSLOAHHNHHVAOA-ZDUSSCGKSA-N 324.388 1.569 0 40 DDAB CS(=O)(=O)c1cccnc1NCc1ccc2c(c1)CNC2 97829627 QIKLLYYKTQRHPQ-UHFFFAOYSA-N 303.387 1.700 0 40 DDAB COCCOc1ccc(NC(=O)NOCc2cccnc2)cn1 95467272 TXHOAFCANYSCLF-UHFFFAOYSA-N 318.333 1.755 0 40 DDAB O=C(Cc1cc2c(ccc3ccccc32)o1)N(CCO)CCO 95985971 QPLDTKYYOGKICQ-UHFFFAOYSA-N 313.353 1.942 0 40 DDAB C[C@@H](N[C@@H](CO)c1cnn(C)c1)C(=O)Nc1cccc(Cl)c1 95941438 VDWHSOCHRBLTEP-YGRLFVJLSA-N 322.796 1.724 0 40 DDAB CCn1c(CCNC(=O)c2nc3ccccc3[nH]2)n[nH]c1=S 75092411 MATWKVIXFOKABX-UHFFFAOYSA-N 316.390 1.809 0 40 DDAB C[C@@H]1CCc2c(C(=O)N[C@@H]3CCC(=O)NC3=O)csc2C1 89753497 XVQALKRXPBPSNT-LDYMZIIASA-N 306.387 1.408 0 40 DDAB COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCc3ccccc3C2)CCO1 75582751 RXAYHEWUOWXJJQ-HUUCEWRRSA-N 318.373 1.127 0 40 DDAB CC(C)N1CC[C@@]2(CCn3c2nnc(-c2ccncc2)c3=O)C1 306126128 DNOJFVMMCNGTDX-QGZVFWFLSA-N 311.389 1.456 0 40 DDAB COc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cnn(C)c2)ncn1 306123051 ADLLYIQLDRBQKN-ZIAGYGMSSA-N 314.393 1.072 0 40 DDAB CCc1cccc(N2CCC(NC(=O)CCNC(N)=O)CC2)c1 61634605 JMINRNYZVWIIDZ-UHFFFAOYSA-N 318.421 1.392 0 40 DDAB CC(C)(C)SCCOC(=O)[C@H]1CCCCN1S(C)(=O)=O 79037321 ZCQSJEBUEYIJAE-LLVKDONJSA-N 323.480 1.875 0 40 DDAB O=c1c2cccnc2cnn1C[C@@H](O)COCc1ccccc1 77416390 KGPYWRZPAFMYOB-CQSZACIVSA-N 311.341 1.369 0 40 DDAB C[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(c2ncccn2)C1 72388708 BRXIYMGBJMHTBP-CQSZACIVSA-N 321.406 1.161 0 40 DDAB OCC(CO)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 72384861 PJQCGKBXMYFHOH-CYBMUJFWSA-N 320.418 1.772 0 40 DDAB C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79393060 YCCBAQBDDAFRQG-QEJZJMRPSA-N 319.405 1.687 0 40 DDAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218036781 ZIAHXLVQMCPXBT-HRCADAONSA-N 302.399 1.283 0 40 DDAB COc1cccc([C@]2(Cc3cccc(F)c3)NC(N)=NC2=O)c1 71975319 UTZBYGAKTBLZHG-KRWDZBQOSA-N 313.332 1.717 0 40 DDAB Cc1ncn(CCNC(=O)NCc2cccs2)c(=O)c1C 75166400 QCYAPVJLJJSNNQ-UHFFFAOYSA-N 306.391 1.421 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccon2)cc1C(=O)O 225587014 ZWYXAYVLWWXEQS-SECBINFHSA-N 310.331 1.721 0 40 DDAB CN1CCN(c2ncc(NC(=O)C3CCCCC3)cn2)CC1 224251074 KUAJXKCFEOQMSF-UHFFFAOYSA-N 303.410 1.747 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 224271040 UMQQLEXZAYVSFU-UHFFFAOYSA-N 322.390 1.660 0 40 DDAB C[C@H](NS(=O)(=O)c1ccnn1C)[C@@H]1Oc2ccccc2[C@H]1C 329733994 JZWUMWMJMNWVSX-JRPNMDOOSA-N 321.402 1.652 0 40 DDAB CN(C)c1nc(CS(=O)(=O)c2nc3ccccc3[nH]2)ns1 195556961 DYWYWNSEEMQJTA-UHFFFAOYSA-N 323.403 1.454 0 40 DDAB COc1cccc([C@@H]2CCCN2CC(=O)N2CCNC2=O)c1 44894480 GNLOHVIULLLREI-AWEZNQCLSA-N 303.362 1.384 0 40 DDAB NC(=O)Cn1cc(NC(=O)c2sccc2-n2cccc2)cn1 193600623 XJZMNRPGGYMQLN-UHFFFAOYSA-N 315.358 1.473 0 40 DDAB Cc1nsc(N2CCN(Cc3nccn3C(F)F)CC2)n1 80677212 NZIUFQGYERUMFY-UHFFFAOYSA-N 314.365 1.760 0 40 DDAB COC[C@@H](C)NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801695 GWQTYFGIKSJQMZ-SNVBAGLBSA-N 307.325 1.959 0 40 DDAB COc1ccsc1C(=O)N1CCN(c2nc(C)ns2)CC1 81457352 SIHMFGGYEKAARO-UHFFFAOYSA-N 324.431 1.879 0 40 DDAB COC[C@@H]1CN(Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 96060268 DNPVBZPIFLHMAA-HNNXBMFYSA-N 315.421 1.772 0 40 DDAB COCC(=O)N1C[C@H](N(C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 96185991 UKZJLORRJHGTII-OFQRWUPVSA-N 308.378 1.116 0 40 DDAB CC(C)C(=O)N1CCC[C@]2(CN(Cc3cnn(C)c3)CCO2)C1 96049127 RGSNEUDCKGKWNG-KRWDZBQOSA-N 320.437 1.270 0 40 DDAB Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)c1 96252458 WJPRXLNOIDNRAA-OKILXGFUSA-N 308.403 1.243 0 40 DDAB COCCN(C)c1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1C 97228736 VJIQAPIZIJJEAO-XJKSGUPXSA-N 306.406 1.810 0 40 DDAB 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40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 96098079 SMHFJVYZLPMMNH-IXUJDMMCSA-N 311.447 1.848 0 40 DDAB Cc1nc(C)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)s1 96380113 DIJBCVLURWLLNK-UHFFFAOYSA-N 316.448 1.655 0 40 DDAB CC(C)(CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 40460256 AKOWVASHLVNZCW-UHFFFAOYSA-N 316.398 1.215 0 40 DDAB C[C@H](CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)n1cncn1 12201367 PQYOLZVGTVVYPJ-MLGOLLRUSA-N 313.361 1.539 0 40 DDAB O=C(CN1CCC(O)(c2cccnc2)CC1)NC1CCCC1 13266170 YMXNAUJZMKPPHU-UHFFFAOYSA-N 303.406 1.424 0 40 DDAB Cc1cc(O)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c(=O)o1 16267046 KSLMMCYCZQJDRA-INIZCTEOSA-N 315.281 1.067 0 40 DDAB COCCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 19593521 HDTAUDRIHXLZQM-UHFFFAOYSA-N 315.373 1.900 0 40 DDAB COC(=O)c1ccc(OCC(=O)NCC(F)(F)F)c(OC)c1 7033123 GZEVKZHBBFCHQL-UHFFFAOYSA-N 321.251 1.539 0 40 DDAB CN(C)c1ccnc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1889145756 ICZSSTLVVSQLGN-UHFFFAOYSA-N 324.392 1.141 0 40 DDAB O=C([C@@H]1CCOC1)N1CCc2ncnc(-c3ccoc3)c2CC1 1614933331 FZIXWEXPLKZELJ-CYBMUJFWSA-N 313.357 1.700 0 40 DDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(=O)C2(F)CC2)C1)N1CCCC1 1565544652 NGZMPVCVYZPSJW-JHJVBQTASA-N 310.369 1.117 0 40 DDAB Cc1c(C(=O)C(=O)NC[C@H]2CCCO2)c2ccccc2n1C 4062517 OESOCGAYDAMIQE-GFCCVEGCSA-N 300.358 1.965 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3OC[C@@H](C(=O)N(C)C)C[C@H]3C2)C1 2055734491 BHUNLIGATMBHDS-QXRZNBQRSA-N 308.422 1.374 0 40 DDAB C[C@H](Oc1ccccc1F)C(=O)N1CC(Nc2cccnn2)C1 618256540 UDAWQEUNEMAVQB-NSHDSACASA-N 316.336 1.706 0 40 DDAB CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24216838 WLMBUHQUYFKRKH-UHFFFAOYSA-N 314.382 1.459 0 40 DDAB CS(=O)(=O)NC(=O)CCc1ncc(-c2ccccc2F)o1 40543964 YPTMWSKQIXIFGH-UHFFFAOYSA-N 312.322 1.489 0 40 DDAB C[C@@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)oc1=O 20959739 QYDXRJAPBLDGGB-SNVBAGLBSA-N 307.375 1.966 0 40 DDAB CCOC(=O)c1ccoc1CN1C(=O)NC2(CCCC2)C1=O 32667637 JIWMMSRBAMFIPP-UHFFFAOYSA-N 306.318 1.821 0 40 DDAB CC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32736619 ICFRERRCOOKINV-SNVBAGLBSA-N 311.359 1.262 0 40 DDAB CCC(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 21874034 SJWKUMAVOKQOCZ-UHFFFAOYSA-N 320.389 1.107 0 40 DDAB CCCCCC(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 12323574 YKLZLAKGYHCAAJ-UHFFFAOYSA-N 302.382 1.582 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 76045259 UVOFTXZVJUZCGQ-NSHDSACASA-N 307.379 1.021 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3cn[nH]c3)CC2)no1 97203024 YKZJBJHHZAJESO-NSHDSACASA-N 303.366 1.913 0 40 DDAB CCCn1nnnc1SCC(=O)Nc1nnc(CC)s1 4383552 RLHJGSAVXKIGPJ-UHFFFAOYSA-N 313.412 1.228 0 40 DDAB C[C@@H](CC(=O)N1CCCN(C(N)=O)CC1)c1ccc(F)cc1 104379257 SMMCYRSVPFXELZ-LBPRGKRZSA-N 307.369 1.932 0 40 DDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccn1)n2CC 8342593 LSWRWYRIIHDJQS-UHFFFAOYSA-N 313.361 1.768 0 40 DDAB COC(=O)c1cn(Cc2ccc(F)cc2)cc(C(=O)OC)c1=O 8730409 PTDZBRHGCRKFPX-UHFFFAOYSA-N 319.288 1.609 0 40 DDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(F)(F)F)c1 998377 GQNJFSAKFVDWGO-UHFFFAOYSA-N 305.208 1.761 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cnc2onc(C)c2c1 24728995 WWMHNIZAEJEWCA-LBPRGKRZSA-N 305.334 1.849 0 40 DDAB CN(C)[C@@H](CNC(=O)C1CCN(C(N)=O)CC1)c1cccs1 47872494 PFUWNWPSEZEGHK-LBPRGKRZSA-N 324.450 1.258 0 40 DDAB CC[C@@H]1CN(c2ncnc3sccc23)CCN1C[C@H](C)O 106840008 YMTBFYTVMHPFSL-NWDGAFQWSA-N 306.435 1.973 0 40 DDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1OCCc2ccccc21 97020592 SQZROCHRCRSWNJ-MRXNPFEDSA-N 321.340 1.915 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N[C@@]1(C(=O)O)CCSC1 43509531 VDWNYSJUVBPXPL-INIZCTEOSA-N 305.399 1.794 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1C1CCCC1 56034542 SBSKKNCUSXIBGW-CQSZACIVSA-N 319.405 1.485 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)Nc1ccncc1 72253352 ZBFQTUFWYFEQQZ-CQSZACIVSA-N 300.366 1.166 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)C(C)C 48299579 AMSONABJPWYRSU-NSHDSACASA-N 314.389 1.844 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)cc1Cl 44717793 WZCHZDWDIPXUTL-ZETCQYMHSA-N 323.748 1.783 0 40 DDAB O=C(NCc1cc[nH]n1)NCC1(N2CCSCC2)CCCC1 44971280 PSTWIYYZJVXTGO-UHFFFAOYSA-N 323.466 1.571 0 40 DDAB Cc1cc(NC[C@@H](O)c2ccc(F)c(F)c2)n2ncnc2n1 58378137 QMXBYNIVNYRKJP-GFCCVEGCSA-N 305.288 1.856 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1 45031350 JJCVLZFZCIANFK-UHFFFAOYSA-N 306.410 1.545 0 40 DDAB O=C(C[C@H]1C=CCC1)NCCCNC(=O)c1cccc(O)c1 58407294 MCOSMPXLXYYENO-ZDUSSCGKSA-N 302.374 1.985 0 40 DDAB Cc1ncsc1CNc1cc(N2CCC[C@H]2CO)ncn1 72276288 BYFPTJSQQFBUOS-NSHDSACASA-N 305.407 1.815 0 40 DDAB Cc1cc(C)cc(NC(=O)C2=NN(CC(=O)O)C(=O)CC2)c1 72265058 MLEKQFWWKCYCNB-UHFFFAOYSA-N 303.318 1.305 0 40 DDAB C[C@@H](NC(=O)Cn1cccn1)c1ccc2c(c1)OCCCO2 48308651 ATOMZWDUVNCRJO-GFCCVEGCSA-N 301.346 1.922 0 40 DDAB CCCCCC(=O)Nc1c(S(C)(=O)=O)cnc2cc(C)nn12 72295180 IGBKCNMWJTVFKW-UHFFFAOYSA-N 324.406 1.960 0 40 DDAB CC(C)[C@H](OC(=O)/C=C/c1cccc(F)c1)C(=O)NC(N)=O 3428516 PEIVOYKDFPMKOH-YBJDMEARSA-N 308.309 1.602 0 40 DDAB Cc1cc(NC(=O)CCCn2nnc3ccccc3c2=O)no1 8991389 OUTZWMNWZLRFDS-UHFFFAOYSA-N 313.317 1.507 0 40 DDAB Cc1nc(C)c([C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)s1 48731861 FTDAZZZLDNYWIN-SCZZXKLOSA-N 317.436 1.307 0 40 DDAB CS(=O)(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 93048727 KYEYTAIJFKCSMQ-VIFPVBQESA-N 310.297 1.513 0 40 DDAB Cc1c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 4064355 WLUDKAJBUMWIEQ-VIFPVBQESA-N 319.313 1.247 0 40 DDAB biogenic Cc1nc(Cl)sc1S(=O)(=O)NCc1ccnn1C 71334637 GQVNIXOATMKNDC-UHFFFAOYSA-N 306.800 1.317 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](CC)C(=O)OC)c1C 9219305 WKIXLIRLKRNKRM-JTQLQIEISA-N 311.334 1.917 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 65443459 CQHVLYNCMYJYQM-UHFFFAOYSA-N 324.764 1.667 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3ccsc3)CC2)nn1 97139371 RZJBBIUOAUDALC-UHFFFAOYSA-N 306.391 1.963 0 40 DDAB O=C(NCc1ccc(O)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 65517850 ILFIXZMKJYFUSX-ZDUSSCGKSA-N 314.341 1.650 0 40 DDAB CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)O)[C@H](C)O)c1 14138983 KAKTWTNMANCKIB-QUBYGPBYSA-N 303.767 1.626 0 40 DDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 14245043 MYQIWKQGDZQTDQ-JTQLQIEISA-N 316.313 1.871 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCO[C@@H](c2ccccn2)C1 72385365 GTWAMJPREKUEPT-MRXNPFEDSA-N 318.398 1.985 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc[nH]c2=O)cc1 7063384 NMBHQAWHMAOULS-GFCCVEGCSA-N 314.341 1.545 0 40 DDAB COCCCNC(=O)c1sccc1NC(=O)c1cnccn1 67335647 RKFCZTMUUVGXAF-UHFFFAOYSA-N 320.374 1.557 0 40 DDAB CN(Cc1cccc(Cl)c1)C(=O)CSc1nnnn1C 7465944 BGLSYSUIAKBCQV-UHFFFAOYSA-N 311.798 1.614 0 40 DDAB CC(C)CNC(=O)CSCc1nc2ccsc2c(=O)[nH]1 9476882 JKUSLIQPUPQRDQ-UHFFFAOYSA-N 311.432 1.990 0 40 DDAB CCn1ncc(CNC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)c1C 17054981 QYDZQURODCMETB-CXTZMWEQSA-N 319.405 1.965 0 40 DDAB O[C@@H](COCc1cccs1)Cn1nnc(-c2cccnc2)n1 69596726 XQNQSMACZCJQAP-GFCCVEGCSA-N 317.374 1.374 0 40 DDAB CCc1noc(C)c1C(=O)NCc1c(C)nn(CCOC)c1C 69569497 QXZYBKJRAXPLLS-UHFFFAOYSA-N 320.393 1.935 0 40 DDAB COCCOc1ncccc1CNC(=O)[C@H](C)n1ccnc1 71823891 UFENTCZZYUWOCP-LBPRGKRZSA-N 304.350 1.181 0 40 DDAB O=C1NCCN1[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 71830518 JYLRRZAMEXZDOB-VIFPVBQESA-N 315.299 1.489 0 40 DDAB CCc1cnc(NC(=O)N2CCN([C@@H](CC)CO)CC2)s1 83827892 YFPJFEMOYYLXSO-NSHDSACASA-N 312.439 1.626 0 40 DDAB COC(=O)NCCCC(=O)OC[C@H]1CN(CC(C)C)CCO1 69949031 CZOBNYFYVOLKNU-CYBMUJFWSA-N 316.398 1.023 0 40 DDAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN2CCC[C@H]2C1 72517668 DZELDMYHTBTEAD-NSHDSACASA-N 306.391 1.032 0 40 DDAB CCc1nc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c[nH]1 95431691 LBBYMWJWFWZOSC-CYBMUJFWSA-N 321.402 1.488 0 40 DDAB CS(=O)(=O)CCCN1CCC[C@@H](c2noc(C3CC3)n2)C1 95402221 MWRUCKHZIHQNTG-GFCCVEGCSA-N 313.423 1.561 0 40 DDAB COc1ccccc1NCC(=O)N1CC[C@](O)(C(F)(F)F)C1 73921241 BBWUDFKSEMCYGG-CYBMUJFWSA-N 318.295 1.633 0 40 DDAB COc1ncc(Cl)c(N(C)CC(C)(C)S(C)(=O)=O)n1 95978618 XRXAAQDSMFSXQX-UHFFFAOYSA-N 307.803 1.398 0 40 DDAB CN1CCC(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 95988907 LUDSQDJFMNYIOU-KRWDZBQOSA-N 317.433 1.734 0 40 DDAB O=C(CNC(=O)NCc1ccc2c(c1)CCC2)NCC1CC1 95994882 LWNBWRWGSZUERT-UHFFFAOYSA-N 301.390 1.501 0 40 DDAB c1ccc(CN2CCO[C@H](CN[C@@H]3CCN(C4CC4)C3)C2)cc1 75093148 DGRPSFXYMARBPA-IEBWSBKVSA-N 315.461 1.714 0 40 DDAB COc1cccnc1NC(=O)CNC(=O)NCc1ccco1 75126499 WIWYBNMVRZYUKR-UHFFFAOYSA-N 304.306 1.121 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)N[C@H](C)Cn1cccn1 89904378 QZUPCCDAGZZZLR-OCCSQVGLSA-N 318.377 1.313 0 40 DDAB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)C(=O)c1ccccc1 408649801 AHSNBLYTSUMQTG-VSURQPOISA-N 314.337 1.999 0 40 DDAB COC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218421738 XSXFOGHGWCUQCY-AVGNSLFASA-N 303.811 1.442 0 40 DDAB O=C(NCC(F)F)c1cc(-c2ccccc2)nc2ncnn12 36619230 AHVWQHCKPRRTJT-UHFFFAOYSA-N 303.272 1.786 0 40 DDAB CC(=O)N1CCN([C@H](CCC(=O)O)c2ccc(F)cc2)CC1 408608008 LNRRWJAGTKCEOW-OAHLLOKOSA-N 308.353 1.896 0 40 DDAB N[C@]12CC[C@H]1CN(C(=O)NCc1noc3ccc(F)cc13)C2 1553510898 BRVWGCOCSJOIGP-VFZGTOFNSA-N 304.325 1.600 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)[C@@H]1C 529975095 IDJIKMBWVJTCAW-JNIYBQFBSA-N 317.389 1.972 0 40 DDAB O=C(NCCc1nccs1)N1CCCN(C(=O)C2CC2)CC1 128412759 ZYGABHAEEDMEHY-UHFFFAOYSA-N 322.434 1.340 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCCCCC3)cc2n1 35315260 YHJVCEKBZMNWFZ-UHFFFAOYSA-N 315.421 1.952 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](c2ncncc2S(C)(=O)=O)C1 72334685 DFVWSCZOQWNCMH-LLVKDONJSA-N 311.407 1.242 0 40 DDAB COc1ccc(-c2nnc(N3CC(C)(C(N)=O)C3)s2)cc1 521429974 DBSOTNNVWFETMC-UHFFFAOYSA-N 304.375 1.525 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1 72237947 SOHCPFHSNJIRPP-HZPDHXFCSA-N 302.374 1.644 0 40 DDAB CC(=O)N1CCC[C@H](Cc2cnc(N3CCOCC3)cn2)C1 72364861 CXFXIINVLITPEC-CQSZACIVSA-N 304.394 1.114 0 40 DDAB CC(C)(CO)[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)C1CC1 563403018 HXKDWPFARCKBIY-HNNXBMFYSA-N 319.405 1.792 0 40 DDAB Nc1nccc([C@@H]2CCCN(C(=O)[C@@H](N)c3ccccc3)C2)n1 72355909 PWKMXJUPFPRKKA-HIFRSBDPSA-N 311.389 1.465 0 40 DDAB CCCS(=O)(=O)N1CCN(Cc2c(C)noc2C)CC1 44450179 HSOPTSDHPZHGJY-UHFFFAOYSA-N 301.412 1.149 0 40 DDAB CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)no1 225744347 RCFXHBNMRGDHCO-MDSNHJATSA-N 306.318 1.565 0 40 DDAB CCN(CCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 42870441 FIDVYEGTEYOMPR-AWEZNQCLSA-N 310.419 1.448 0 40 DDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 44847194 BCNHOFIQSJZTBF-SNVBAGLBSA-N 310.781 1.831 0 40 DDAB Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860087 QQDLFTQONYSYFO-UHFFFAOYSA-N 317.322 1.646 0 40 DDAB COc1cc(-c2ncc(CC(=O)O)c(=O)[nH]2)cc(OC)c1OC 49468591 NAIPKRKCRQPVEG-UHFFFAOYSA-N 320.301 1.090 0 40 DDAB CS(=O)(=O)N[C@H](CC(=O)N1CCCC1)c1ccc(F)cc1 225946969 VGUNFZCFVFOAAK-CYBMUJFWSA-N 314.382 1.429 0 40 DDAB COC(=O)[C@@H](NCc1nc2cc(Cl)ccc2n1C)[C@H](C)O 191963049 CKJKMNWKHVPOSL-SDBXPKJASA-N 311.769 1.239 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1 96192677 CEGLDWRRRRGTTN-KRWDZBQOSA-N 319.380 1.873 0 40 DDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C[C@H]2CCOC2)cn1 96200705 JFXFKMIQGLUABB-NJAFHUGGSA-N 319.449 1.869 0 40 DDAB Cc1ccc(CN2CCC[C@]3(CCN(S(C)(=O)=O)C3)C2)o1 96215959 GQTOKPPSLWSUQK-HNNXBMFYSA-N 312.435 1.836 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)no1 96249658 ZEABJIGFHRUYOL-GDBMZVCRSA-N 319.405 1.556 0 40 DDAB COCC(=O)N1CCc2onc(COc3cccnc3)c2C1 96260093 YHZYDYBXYRTIAC-UHFFFAOYSA-N 303.318 1.180 0 40 DDAB O=C1CCN(CCc2cccc(OC(F)(F)F)c2)CCN1 96483215 WFOVGIHHJSSSSR-UHFFFAOYSA-N 302.296 1.950 0 40 DDAB OCCOCc1ncn2c1CN(Cc1ccc(F)cc1)CCC2 96059008 QHTIDRMIDWJNPH-UHFFFAOYSA-N 319.380 1.937 0 40 DDAB Cc1noc([C@H](NCc2cc(=O)n3ccsc3n2)C(C)C)n1 96493168 JAERCEBDWNNLGE-GFCCVEGCSA-N 319.390 1.934 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccccc2Cl)C1 96098121 IEIQURSISYMIMP-VIFPVBQESA-N 302.783 1.991 0 40 DDAB Cc1cccc(C(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)n1 96054006 DCOMXUGDWYWVKB-OKILXGFUSA-N 309.373 1.388 0 40 DDAB C[C@H](O)C[C@H]1COCCN1C(=O)NCc1c(F)cccc1F 97095154 ABGOTYSKSOITDU-QWRGUYRKSA-N 314.332 1.646 0 40 DDAB O=C(NCC[C@H]1CCOC12CN(CC1CC1)C2)c1ccncc1 247520566 XHMARKBHLLUQLM-INIZCTEOSA-N 315.417 1.702 0 40 DDAB CCOc1ccc(NC(C)=O)cc1N1CCS(=O)(=O)CC1 255189029 NGTDFCSDQKVVQA-UHFFFAOYSA-N 312.391 1.279 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 257216347 CUDTXONSJJHZNZ-UZYOAWRESA-N 310.357 1.672 0 40 DDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCC2CC2)c1 257286604 PMFIHKCWGQZPNH-UHFFFAOYSA-N 312.373 1.648 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cncs3)CCO2)n1 257244960 INMSHXWGANPLKP-SNVBAGLBSA-N 306.347 1.161 0 40 DDAB CN(C)CCCNC(=O)c1ccccc1-n1cc(CN)cn1 257274188 NJXANZPRZOLAQB-UHFFFAOYSA-N 301.394 1.013 0 40 DDAB NC(=O)C1CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)C1 257292669 QMMUUIDWWGFSEW-UHFFFAOYSA-N 313.332 1.369 0 40 DDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 575405967 LMGMZBZJHHPRIA-HNNXBMFYSA-N 318.421 1.825 0 40 DDAB Cc1n[nH]cc1CN1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585290441 CZIWSGZVGQXVLV-CGTJXYLNSA-N 313.401 1.838 0 40 DDAB CCc1noc(C)c1C(=O)N(C)[C@@H]1COC[C@@H](OC)[C@H]1OC 585288088 PFYMMHORWKVFTL-BZPMIXESSA-N 312.366 1.046 0 40 DDAB CCOC[C@@H](CCn1cnc2cnc(N)nc21)COC(C)=O 936068987 GEKPJDOQJOHQDN-LLVKDONJSA-N 307.354 1.014 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1Cn1cccn1 70040716 CPTHCYHYUJLYJX-CQSZACIVSA-N 301.394 1.467 0 40 DDAB CCCCS(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 49334846 QACDQSFLWOMJMJ-NSHDSACASA-N 319.448 1.871 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](n2cncn2)C1 75583661 NRRDJMUUEBKHIC-ZDUSSCGKSA-N 303.366 1.679 0 40 DDAB C[C@H](CNC(=O)N1CCC[C@@H](CO)C1)N(C)c1ccccc1 79272805 RPCZCPMKGUDKDI-HUUCEWRRSA-N 305.422 1.925 0 40 DDAB Cc1noc(C)c1C(=O)N1CC(S(=O)(=O)CC(C)C)C1 96380086 MTUQMMWTIHXQLA-UHFFFAOYSA-N 300.380 1.187 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O 5006692 NUMQBRXGGKTFEV-UXBLZVDNSA-N 324.720 1.414 0 40 DDAB Cc1cc(C)n(-c2ccc(SCC(=O)N3CCCC3)nn2)n1 11068796 LBGLGDGRLLSALB-UHFFFAOYSA-N 317.418 1.994 0 40 DDAB CCCC(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19501313 PQFWDOYHRKPOLV-LBPRGKRZSA-N 318.421 1.676 0 40 DDAB Cn1ccc(NC(=O)Nc2cccc(N3CCOCC3)c2)n1 157541873 DKKIJWSXAPAJQM-UHFFFAOYSA-N 301.350 1.901 0 40 DDAB OCCN1CCC(c2ccnc(Nc3nccs3)n2)CC1 643550394 FCAHUQZTNVUOFI-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB O=C(NC1CC1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582493 ZARBISFEEZDEQM-UHFFFAOYSA-N 312.373 1.418 0 40 DDAB Cn1c(SCC(=O)Nc2ccon2)nnc1C(F)(F)F 11676528 CYOVEFDBWIKBOI-UHFFFAOYSA-N 307.257 1.553 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 5981173 BGIRSRRXOMDACF-UHFFFAOYSA-N 316.235 1.414 0 40 DDAB Cc1cnc(N2CC[C@@H](COc3cc4c(nn3)CCC4)C2)nc1 1888856960 BLPQYUOHXUFMQU-CYBMUJFWSA-N 311.389 1.969 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)cc1F 15910120 LPBWAGBRFWJTDO-UHFFFAOYSA-N 308.240 1.449 0 40 DDAB CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 9342498 GHZTVNUVLQDBDA-UHFFFAOYSA-N 302.371 1.363 0 40 DDAB Cc1cc(C(=O)N2CC(c3nc(-c4ccccn4)no3)C2)no1 49481629 LMNQTDKUWUAIPO-UHFFFAOYSA-N 311.301 1.668 0 40 DDAB CC(=O)N1CCc2cc(C(=O)NCCCn3cccn3)ccc21 30168542 KISUFCKBUUJLIN-UHFFFAOYSA-N 312.373 1.612 0 40 DDAB COCCNC(=O)NC(=O)CNc1ccccc1OC(F)F 30291102 AMVDQFWYPVJERE-UHFFFAOYSA-N 317.292 1.172 0 40 DDAB COc1ccc2[nH]c(=O)c(C(=O)NC[C@@H]3CCCO3)cc2c1 40119514 OOHLVLLNDKEHSQ-LBPRGKRZSA-N 302.330 1.446 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 31401254 SLYRPBVCJBPPCM-KBPBESRZSA-N 314.393 1.094 0 40 DDAB O=C(COCc1ccccc1Cl)NCC(=O)Nc1cn[nH]c1 51413393 YHYGJHLORTVGAP-UHFFFAOYSA-N 322.752 1.335 0 40 DDAB O=C(CCN1C(=O)COc2ccccc21)Nc1c[nH]ccc1=O 40513474 ZTJYDJZMBUQUGD-UHFFFAOYSA-N 313.313 1.129 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H]2CCNC2)ccc1Br 52093358 NCLCTLLWVJRQLE-VIFPVBQESA-N 319.224 1.398 0 40 DDAB CN1C[C@H](C(=O)NCCOc2ccc3ccccc3c2)CC1=O 32817986 DMGUYZSXZFRZAM-OAHLLOKOSA-N 312.369 1.813 0 40 DDAB CCCC1(CCC)NC(=O)N(CC(=O)NCCCOC)C1=O 21704576 MMLAQVANSMSLHJ-UHFFFAOYSA-N 313.398 1.030 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NOCc1ccccc1 102908951 MJDAQRNEENJXJR-OKILXGFUSA-N 316.357 1.410 0 40 DDAB C[C@@H](C(=O)Nc1cccc(N2CCNC2=O)c1)n1cncn1 47042172 RSJVFLZWCKDLGR-JTQLQIEISA-N 300.322 1.007 0 40 DDAB C[C@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1N1CCOCC1 76054024 HLOITPDQVPNPFJ-GXTWGEPZSA-N 321.421 1.765 0 40 DDAB C[C@H](C(N)=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 79064418 VTSUTDICGSTYRH-SNVBAGLBSA-N 310.785 1.363 0 40 DDAB NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cccn2)c1 79015782 SYKPANNTWKLOHV-HUUCEWRRSA-N 312.373 1.646 0 40 DDAB O=C(NCc1ccc(-n2ccnc2)nc1)NC[C@@H]1CCCO1 79033023 QPMOQONCYKFCOL-ZDUSSCGKSA-N 301.350 1.246 0 40 DDAB Cn1c(=O)n(C[C@H](O)COCc2ccco2)c2ccccc21 23022784 WKHAJKPZTLDFIA-LBPRGKRZSA-N 302.330 1.511 0 40 DDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)Oc1cccnc1Cl 71911041 AZLGALPENVPUTR-UHFFFAOYSA-N 318.720 1.528 0 40 DDAB Cc1ccc(C)c(C(=O)COC(=O)CN(C)c2ncccn2)c1 23173680 XWNUNOUDTQSZSD-UHFFFAOYSA-N 313.357 1.956 0 40 DDAB C[C@H](O)CNC(=O)NCCOc1cccc2c1OC(C)(C)C2 47675594 GIRUXFGSXMMUNH-NSHDSACASA-N 308.378 1.459 0 40 DDAB COc1cc([C@H](N)CC(=O)O)cc(Br)c1OC 8022726 LZHQTBLMAGTXJW-MRVPVSSYSA-N 304.140 1.941 0 40 DDAB CCn1c(SCC(=O)NC(C)(C)C)nc2ncccc2c1=O 8748269 GVDDJEGOBGCVDD-UHFFFAOYSA-N 320.418 1.818 0 40 DDAB CCC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 58984373 QHKZYPMFEJWBHZ-MRXNPFEDSA-N 303.362 1.413 0 40 DDAB CO[C@@H](C)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 55362482 SSKPRRWNCDGKDY-AWEZNQCLSA-N 318.417 1.761 0 40 DDAB CCC(=O)Nc1ccc(NC(=O)NCCN2CCOCC2)cc1 57698486 JOFUPMDWNWXLAJ-UHFFFAOYSA-N 320.393 1.489 0 40 DDAB CCOC(=O)Cn1c(=O)n(CCc2ccccc2)s/c1=N\C 103693381 DMKGJUKLGIRVMJ-PEZBUJJGSA-N 321.402 1.048 0 40 DDAB O=C1NCCCC[C@@H]1Sc1nnnn1Cc1cccs1 58492675 FPRVNMMZEPMHJF-JTQLQIEISA-N 309.420 1.544 0 40 DDAB O=S(=O)(NC[C@H]1Cc2ccccc2O1)N1CCCCCC1 26867306 YVRBWWVKICUGJP-CQSZACIVSA-N 310.419 1.701 0 40 DDAB CC(C)(C)OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 8890239 KANHSQPZKXQHHF-QGZVFWFLSA-N 316.357 1.722 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)CCS1(=O)=O 110604240 CJHDONHIMNPFJY-QMVSFRDZSA-N 314.451 1.640 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)NC[C@@H]1CCOC1 48237292 IQVLIPLBZMTUPI-ZDUSSCGKSA-N 301.350 1.103 0 40 DDAB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(-n2cncn2)cc1 58299908 DTIJMIOADGVCFX-UONOGXRCSA-N 323.404 1.856 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 44936034 DIVXOVYTVCHWLF-GFCCVEGCSA-N 309.391 1.649 0 40 DDAB C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)NC(=O)NC1CC1 58344317 CCZFPEABXXCKGE-SSDOTTSWSA-N 312.395 1.836 0 40 DDAB NC(=O)c1ccc(C(=O)OCc2cnn(-c3ccccc3)n2)cn1 58344222 GITBQZVYVCUSRG-UHFFFAOYSA-N 323.312 1.118 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 72679303 XZKHXICMNHRYGQ-CABCVRRESA-N 318.373 1.334 0 40 DDAB CC(C)[C@H](CNC(=O)CCNc1ccccc1)N1CCOCC1 58421443 CELGDZIJDCFMRR-KRWDZBQOSA-N 319.449 1.962 0 40 DDAB Cc1nc2ccccc2nc1CS(=O)(=O)CC(=O)NC(C)C 45346814 NAJVABVULJOXRR-UHFFFAOYSA-N 321.402 1.378 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)no1 59003451 WBIQGYLOCBRZPM-UHFFFAOYSA-N 305.359 1.643 0 40 DDAB Cc1nnc(SCc2nnc(-c3ccccc3)o2)n(N)c1=O 3301403 WZROGWPMNGVFSG-UHFFFAOYSA-N 316.346 1.003 0 40 DDAB O=C(NCCNC(=O)c1ccco1)NCCc1cccs1 29324410 RPWFJXLKEXIDFP-UHFFFAOYSA-N 307.375 1.613 0 40 DDAB O=C(COC(=O)c1ccccn1)NCc1ccc2c(c1)OCO2 3313041 FICURELGOKSOPJ-UHFFFAOYSA-N 314.297 1.284 0 40 DDAB COc1ccccc1CNC(=O)COC(=O)c1ccncc1 2637222 VEIXNDRUXFTQQE-UHFFFAOYSA-N 300.314 1.563 0 40 DDAB COc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(O)c1 48314907 LRMKFNGIUNESLT-CQSZACIVSA-N 322.405 1.487 0 40 DDAB C[C@@H]1CN(C(=O)NC[C@@H](C)N2CCc3sccc3C2)CCO1 48368942 MPLLVPFBUCYLBJ-CHWSQXEVSA-N 323.462 1.925 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O 48374269 CHZXUBHNIFNYBS-IUODEOHRSA-N 312.316 1.965 0 40 DDAB O=C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 12892230 SVZIQKPWNPCTMR-GFCCVEGCSA-N 306.387 1.544 0 40 DDAB CCCc1cc(O)n2nc(C(=O)NCc3ccccc3)nc2n1 8914919 WZDNNNHIXUFKCP-UHFFFAOYSA-N 311.345 1.712 0 40 DDAB COC(=O)c1sccc1NC(=O)C(=O)NCc1ccncc1 13693256 IUMUTFFMJDBPRI-UHFFFAOYSA-N 319.342 1.185 0 40 DDAB CCCCOCCCNC(=O)[C@H](Cc1ccccc1)NC(N)=O 6084798 XMGCQKPZYGONGP-HNNXBMFYSA-N 321.421 1.589 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(C)nn3cccnc13)C2 65463371 LZCSPOLKLILYIK-GFCCVEGCSA-N 310.361 1.287 0 40 DDAB Cc1noc([C@H](C)NC(=O)CCc2ccc3c(c2)OCO3)n1 65553809 CLTMKGOOWRKDLO-VIFPVBQESA-N 303.318 1.917 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)C[C@@H]1C=CCC1)C2=O 14121794 PBQLFXUDAFIRBV-BWBHSNQOSA-N 305.378 1.875 0 40 DDAB Cc1cccc(-n2nnnc2S[C@H]2CCCCNC2=O)c1 14184660 RBJXFNXMIXXYDE-LBPRGKRZSA-N 303.391 1.732 0 40 DDAB CC(C)C(=O)N1CCN(CN2C(=O)c3ccccc3C2=O)CC1 14202039 NWLZMRFVELEZCD-UHFFFAOYSA-N 315.373 1.040 0 40 DDAB CC(C)c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)cc1 6661423 SPSKLLOSCPRUHS-QWHCGFSZSA-N 310.444 1.670 0 40 DDAB COC(=O)C1CCN(Cc2cc(=O)oc3ccc(O)cc23)CC1 6758101 MZTORRGAVUYOGE-UHFFFAOYSA-N 317.341 1.884 0 40 DDAB biogenic CNC(=O)NC(=O)CN1CCC[C@@H](Cc2ccccc2OC)C1 66894820 RTTQCCAPDRGEJZ-ZDUSSCGKSA-N 319.405 1.405 0 40 DDAB O=c1[nH]c2c(sc3ncccc32)c(=O)n1C[C@@H]1CCCO1 67349615 LGQAKGFWCNAHOF-QMMMGPOBSA-N 303.343 1.479 0 40 DDAB CCN(C)S(=O)(=O)N1CC=C(c2ccc(OC)cc2)CC1 81182801 RBTDTYLCLPDRTR-UHFFFAOYSA-N 310.419 1.981 0 40 DDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1cccs1 16685193 AZSMJHDGJFTHIH-UHFFFAOYSA-N 321.402 1.619 0 40 DDAB Cc1cc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)on1 8156005 KRTFYXKKFZGERA-MRXNPFEDSA-N 313.313 1.713 0 40 DDAB CN(Cc1noc(C(C)(C)C)n1)CC1CCN(CCO)CC1 70040026 RAHBWBGOQUKWHF-UHFFFAOYSA-N 310.442 1.503 0 40 DDAB CCOC(=O)CN1CCCN(c2nn3cc(C)nc3s2)CC1 71792436 ZKARLVYWWOSWLX-UHFFFAOYSA-N 323.422 1.174 0 40 DDAB COC(=O)COc1ccc(Br)cc1C(=O)OC 71789019 MHPHCMBOWORGFS-UHFFFAOYSA-N 303.108 1.788 0 40 DDAB CN(CCOc1ccccc1)C(=O)Nc1cccn(C)c1=O 96435155 PQXJQYWRMCBFRY-UHFFFAOYSA-N 301.346 1.928 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 17481964 YWUPGKHAKBGZGP-UHFFFAOYSA-N 318.354 1.441 0 40 DDAB CCCCCC[C@@](C)(NCC(=O)NC(=O)NC)C(=O)OCC 69657907 IZYJAKSMMHJDNT-OAHLLOKOSA-N 315.414 1.324 0 40 DDAB CC[C@H](C(N)=O)N1CCN([C@@H](C)c2ccccc2OC)CC1 69739752 MHVNVUUXNVBBAG-DZGCQCFKSA-N 305.422 1.638 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nc(C)cc(N(C)C)n1 69706066 WAIBADQPFRTHPF-LSDHHAIUSA-N 317.437 1.831 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)cn1 69842450 CXKGZWSFENOAKY-LLVKDONJSA-N 304.375 1.558 0 40 DDAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)NCc1ccco1 71841204 ZVFWHLTYKNKCIJ-SMDDNHRTSA-N 301.346 1.101 0 40 DDAB Cc1nc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)nc2ccccc12 71864452 ZYRNBXUMLSHTLE-ZIAGYGMSSA-N 314.433 1.825 0 40 DDAB CC(C)c1nc(N[C@H]2CCCCC[C@@H]2C(N)=O)nc(N(C)C)n1 97032342 WSXJDRIDDMXASR-RYUDHWBXSA-N 320.441 1.907 0 40 DDAB C[C@H]1c2cccn2CCN1C(=O)c1csc(-c2nc[nH]n2)n1 72280676 LGJSTUULWDZHMF-VIFPVBQESA-N 314.374 1.947 0 40 DDAB Cc1n[nH]c(C)c1CNCc1ccnc(N2CCOCC2)c1 97159170 UAIZWHWYYYTWDS-UHFFFAOYSA-N 301.394 1.548 0 40 DDAB COc1ccc2c(c1)N(C(=O)CCCNC(=O)C1CC1)CCO2 72303127 HDKULFYHKNWPIV-UHFFFAOYSA-N 318.373 1.727 0 40 DDAB Cc1noc(C)c1N(C)C(=O)Cn1c(=O)oc2ccccc21 72307960 UHSKNRGSBKVEMW-UHFFFAOYSA-N 301.302 1.862 0 40 DDAB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)n(C)c(C)cc1=O 1547208534 LLTNEIWGCIPPPG-ZDUSSCGKSA-N 317.341 1.800 0 40 DDAB OCCOc1cncc(N2CCC[C@H](Nc3ccccc3)C2)n1 95941853 MAQGFRBGPRKHRO-HNNXBMFYSA-N 314.389 1.929 0 40 DDAB CN(C)c1nc(CNC(=O)N[C@H](CO)c2ccccc2)cs1 95995077 OSZBJEFLXQFGSE-CYBMUJFWSA-N 320.418 1.742 0 40 DDAB C[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 95982935 VPXSTQKJJHYDKV-GXTWGEPZSA-N 324.446 1.915 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCCCC(N)=O)cc1 89357169 PZFZEPQIXYERTP-BXUZGUMPSA-N 317.389 1.667 0 40 DDAB O=C(NCC1CC1)[C@H]1CCCN(c2ncnc3[nH]ncc23)C1 89764921 CQCHGTIOZFYDKC-NSHDSACASA-N 300.366 1.096 0 40 DDAB CC[C@H](CNc1nn2c(=O)cc(C)nc2s1)N1CCCC1 89943486 HCMWQISDXCIBHC-LLVKDONJSA-N 307.423 1.746 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2cc(C)ccc2C)CCO1 75582738 NINOBZAIKYAKSB-ZFWWWQNUSA-N 320.389 1.948 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)C1CCCC1 75583632 UMFQFTYITUSDOC-GJZGRUSLSA-N 319.409 1.137 0 40 DDAB CC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 34121841 NXJMPLSHDSOLII-XEZPLFJOSA-N 307.390 1.738 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccc(N)cc2)C1 38541224 VKXBJVVMIPLVRX-CABCVRRESA-N 320.437 1.868 0 40 DDAB COc1cc2nc(NN)n(C3CCCC3)c(=O)c2cc1OC 408712651 FGMKLSGGUIERFB-UHFFFAOYSA-N 304.350 1.814 0 40 DDAB Cn1cc([C@@H]2CN(c3cc(NC4CC4)ncn3)CCO2)cn1 515137619 BGUQEQMBXBWPRL-ZDUSSCGKSA-N 300.366 1.362 0 40 DDAB CC(C)C[C@H](N)c1noc(-c2cn(C3CCOCC3)nn2)n1 515300328 AHGRWHOUUNQUBU-NSHDSACASA-N 306.370 1.726 0 40 DDAB COCCOc1ncccc1NC(=O)N[C@]12C[C@@H]1COC2(C)C 528963439 LQXQEFDGTBEHPG-BDJLRTHQSA-N 321.377 1.796 0 40 DDAB NNc1c(Cl)cncc1S(=O)(=O)N1CCCCCC1 72210770 YSHHAEGGMIMTGA-UHFFFAOYSA-N 304.803 1.585 0 40 DDAB O=C(COc1c(Cl)cc(Cl)cc1CO)N1CCOCC1 35662667 NNAMQLRFAMILFJ-UHFFFAOYSA-N 320.172 1.723 0 40 DDAB CCc1nc(CNS(=O)(=O)c2ccoc2)ccc1C(=O)O 551995898 YDVMEYHMOIOTGP-UHFFFAOYSA-N 310.331 1.414 0 40 DDAB CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCSCC2)C1 366243344 FDOJYWZNIRHDKW-LLVKDONJSA-N 316.423 1.198 0 40 DDAB CNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217696634 HCSYYAMDKAUNLG-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3c2cnn3C)cc2c1OCO2 66091400 UMIYZFVVEMXKFX-VIFPVBQESA-N 301.302 1.632 0 40 DDAB Oc1n[nH]c([C@H]2CCCCN2Cc2cn(CC3CC3)nn2)n1 565580287 QYXCSTZCJGVWSU-GFCCVEGCSA-N 303.370 1.239 0 40 DDAB O[C@H]1CCCN(Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)C1 72394704 PRGUSTUJRDFUNH-KGLIPLIRSA-N 314.433 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40 DDAB CCN1CC[C@@]2(CN(C(=O)c3ccncn3)CC(F)(F)C2)C1=O 585093436 WKWTYQSANPHMRC-CQSZACIVSA-N 324.331 1.196 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(Cc2ccnc(C)n2)C1 585275285 BXRLRPMKFTZMHL-INIZCTEOSA-N 306.410 1.292 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N(C)C[C@@H](C)O 133489105 NUAWWOZSCVVAKV-SECBINFHSA-N 322.224 1.759 0 40 DDAB CC(=O)N1CCC(NC(=O)NC[C@H](c2ccco2)N(C)C)CC1 47792094 AGVURCPTVAFNAP-CQSZACIVSA-N 322.409 1.192 0 40 DDAB Cc1cc(CC(=O)N2CCN(C(=O)CCC(C)C)CC2)no1 73018653 JKIVFOIZLYQMDY-UHFFFAOYSA-N 307.394 1.633 0 40 DDAB CCN(C[C@H]1CN(Cc2ccon2)CCO1)c1cccnn1 84774669 VPPHJUGFTYXAQC-CQSZACIVSA-N 303.366 1.192 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 91293634 GJTZGIYCLWDKOH-VIFPVBQESA-N 315.728 1.724 0 40 DDAB Cc1ccccc1-c1csc(NC(=O)[C@H]2CNC(=O)N2)n1 89696890 WZDOFMKOIOPNCG-SNVBAGLBSA-N 302.359 1.738 0 40 DDAB COc1cc(N2CCN(c3nc(C)cc(C)n3)CC2)ncn1 185992226 SLLQPNCIJUUKHY-UHFFFAOYSA-N 300.366 1.219 0 40 DDAB CNS(=O)(=O)c1ccc(NC[C@](C)(O)c2ccccc2)cc1 1548430192 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DDAB CN1CCC[C@H](c2cccc(NCCN3CCCC3=O)n2)C1 1848355174 PNSKRJZYMSERKP-AWEZNQCLSA-N 302.422 1.925 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)Nc3nncs3)cnc12 21215270 TVOQPBRPKKRZKP-UHFFFAOYSA-N 301.331 1.195 0 40 DDAB C[C@H]1C(=O)N(CC(=O)N2CCCC2)C(=O)N1c1ccc(F)cc1 21267191 MSSTYTFPJOEENZ-NSHDSACASA-N 319.336 1.605 0 40 DDAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1F 13608532 XXULPBIMXRWDGF-ZIAGYGMSSA-N 301.383 1.891 0 40 DDAB CC(C)N1CC2(CN(C(=O)CC3(O)CCC3)C2)c2nccnc21 2055795824 DBWYWJUJEKXQRB-UHFFFAOYSA-N 316.405 1.090 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)c1 18045682 STGLCJIMFNALPK-PHIMTYICSA-N 306.387 1.813 0 40 DDAB COc1nc(OC)nc(N2CCC(Oc3nccs3)CC2)n1 2086884522 FCXKSKOQGBVPHN-UHFFFAOYSA-N 323.378 1.393 0 40 DDAB C1CN([C@H]2CC[C@@H]3S[C@H]2CC[C@H]3N2CCOCC2)CCO1 35904208 AISSRCQTANXUHV-FZKCQIBNSA-N 312.479 1.446 0 40 DDAB C[C@H](C(=O)O)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326478 RMJZAPNXMNVUBO-HWPZZCPQSA-N 317.345 1.024 0 40 DDAB CCCc1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 40493292 CIAMWEXLGIKLPO-CQSZACIVSA-N 323.462 1.919 0 40 DDAB CC(=O)N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 40480016 XGCBGCMCWKUZFR-UHFFFAOYSA-N 315.417 1.587 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1C 40511901 GNELHMCOXCUZQV-SNVBAGLBSA-N 317.311 1.361 0 40 DDAB C[C@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102551533 ARDWGPATFSWEOG-XBFCOCLRSA-N 313.357 1.038 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC1 33002057 QMDQGENGJFGQQA-LLVKDONJSA-N 302.421 1.330 0 40 DDAB COc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1OC 574743 IELWTNGSPDFQIO-UHFFFAOYSA-N 308.403 1.577 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)C12CCC2 76066582 VAHOWJAVQUOZLH-NWDGAFQWSA-N 319.409 1.371 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)c3ccncc3F)CC2)S1 78950756 PCHFVAKDXDKSPP-JTQLQIEISA-N 308.382 1.470 0 40 DDAB COc1ccc(CCNC(=O)CNC(=O)c2ccco2)cc1 3359054 AGMUMKQPJYBYID-UHFFFAOYSA-N 302.330 1.377 0 40 DDAB CN(C)N1C(=O)C[C@@]2(c3ccccc3)C(=O)c3ccccc3[C@@]12O 6490387 FMTGCPDYSAPBRS-MOPGFXCFSA-N 322.364 1.675 0 40 DDAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 6879651 AHYBCKFDKBMBMX-WQLSENKSSA-N 320.370 1.955 0 40 DDAB CN1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CC1 23230434 KPQHDROHMRIKDP-AATRIKPKSA-N 304.781 1.775 0 40 DDAB CCCN1CN2C(=O)N[C@@H]3[C@@H]2N(C1)C(=O)N3C1CCCCC1 12411117 OYNJUBUSLQSFIY-STQMWFEESA-N 307.398 1.375 0 40 DDAB COC(=O)CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 905268 QDKOBDHAZMXSJC-JTQLQIEISA-N 323.374 1.982 0 40 DDAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(NC(=O)c1ccncc1)C2=O 100572387 YBFKDDUDQWANQK-BDJLRTHQSA-N 301.346 1.538 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCN1C(=O)CCC1=O)C2 104866962 IRNZDAIIVCDJMF-PRXAMGSTSA-N 306.406 1.857 0 40 DDAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 8195509 LDBNRTNJQGWRET-UHFFFAOYSA-N 318.354 1.991 0 40 DDAB NC(=O)CCCNC(=O)c1cccnc1OCC(F)(F)F 42924974 WQDMTPUSPGHKPM-UHFFFAOYSA-N 305.256 1.018 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 55007902 LVYTUDSPKFANEP-GFCCVEGCSA-N 320.345 1.477 0 40 DDAB O=C(NCc1ccccc1Cn1cncn1)Nc1nncs1 43128969 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C[C@H]1CN(C(=O)c2ccc(O)cc2F)C[C@H]1N1CCOCC1 95993032 JWSHYCGFYZBTPR-XHDPSFHLSA-N 308.353 1.324 0 40 DDAB COC(=O)c1ccc(CNS(=O)(=O)N2CCC[C@H]2C)cc1 97095828 TZEJPINOWFSTOD-LLVKDONJSA-N 312.391 1.292 0 40 DDAB CCNC(=O)NCCOC(=O)Cc1c(F)cccc1Cl 97001848 SHZDZJXMTAOGAH-UHFFFAOYSA-N 302.733 1.884 0 40 DDAB CNc1nc(-c2ccc(CCNS(C)(=O)=O)cc2)cs1 14102933 BTTWQUZOZCIVCR-UHFFFAOYSA-N 311.432 1.944 0 40 DDAB Fc1ccc(-c2cc(CN3CCOCC3)c3nnnn3c2)cc1 19336590 AJNQXLZNGPGSOR-UHFFFAOYSA-N 313.336 1.763 0 40 DDAB CNc1cc(CN(C)C(=O)C(C)(C)OC)nc([C@H]2CCCN2)n1 19760010 OGLWLUJYNZCEKT-GFCCVEGCSA-N 321.425 1.326 0 40 DDAB COC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373185 IPZUUTPHPQQELG-KGLIPLIRSA-N 319.405 1.743 0 40 DDAB Cc1ccc(CN(C)C(=O)CNC(=O)Cc2ccccc2)o1 5824425 YSBBNAIRWQBPOZ-UHFFFAOYSA-N 300.358 1.905 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)cc1 10044234 WVTYKJYBRIXJTO-AWEZNQCLSA-N 320.370 1.200 0 40 DDAB O=S1(=O)CCC(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)CC1 1888834417 ZZYLHXMKMIKFDJ-GJZGRUSLSA-N 323.462 1.876 0 40 DDAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)[C@@H]1CCOC1 1888854014 SHJGBLRMXGHMFN-HIFRSBDPSA-N 301.346 1.058 0 40 DDAB O=C(Cc1ccc(F)cc1F)NC1CN(c2cnccn2)C1 1888854111 VJVCYXIXDDBXOR-UHFFFAOYSA-N 304.300 1.302 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 1889099073 JENGDQZHLVNKCX-LBPRGKRZSA-N 310.423 1.144 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 21875529 UTCXGZDQOZGNRR-VXGBXAGGSA-N 309.410 1.792 0 40 DDAB C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 110707238 YUFDKFSORLILKN-XQQFMLRXSA-N 306.472 1.596 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13341136 QYQWWMKQNWHWSI-UHFFFAOYSA-N 321.782 1.743 0 40 DDAB Cc1ccc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cn1 2037980764 HQXMBUDEBSTPFL-QGZVFWFLSA-N 303.406 1.603 0 40 DDAB COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N3C)CC2)n1 1565541768 WBJKXBLMCLRKAE-MRXNPFEDSA-N 320.393 1.475 0 40 DDAB Cc1cnc(C)c(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889205 PYBSISWHLFYTPA-CYBMUJFWSA-N 324.450 1.486 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc(CCO)cc1 606440693 SKMLBRLVXIWFPR-ZIAGYGMSSA-N 304.390 1.568 0 40 DDAB COc1cc(NC(=O)c2cccnc2N)cc(OC)c1OC 387270417 WMVRTXFPPDCJKD-UHFFFAOYSA-N 303.318 1.942 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 489873 DOEYEWKFJDCWRZ-LDDOYCOJSA-N 313.353 1.184 0 40 DDAB biogenic CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 30206 KONXUFXACZVAGG-UHFFFAOYSA-N 305.330 1.831 0 40 DDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)n1cccn1 30854793 FYSFEGQNNPJNPF-CYBMUJFWSA-N 300.362 1.816 0 40 DDAB NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F 31079351 LPAQRMXIAXVKOV-UHFFFAOYSA-N 308.334 1.506 0 40 DDAB CCOC(=O)C1CCN(C(=O)CSc2nncs2)CC1 40456995 GCKHOPLHAPXIEQ-UHFFFAOYSA-N 315.420 1.432 0 40 DDAB C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)[C@H]1CCCO1 40511034 VKDROBXTBPBHLW-WCQYABFASA-N 316.361 1.748 0 40 DDAB CCOc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 40539677 HJNFVRFZOVOISD-NSHDSACASA-N 309.391 1.858 0 40 DDAB O=C(NCCC(=O)N1CCCc2ccccc21)c1cnccn1 40542450 IQWUYILJDCQIIN-UHFFFAOYSA-N 310.357 1.576 0 40 DDAB O=C(NCCc1ccccc1)[C@@H]1CCCN(C(=O)C2CC2)C1 40521112 AXJDCFGNWREDPQ-MRXNPFEDSA-N 300.402 1.994 0 40 DDAB O=C1O[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)Cc2ccccc21 32006855 CDWYAVUUJOYRSO-PBHICJAKSA-N 323.348 1.888 0 40 DDAB CCn1ccc(-c2cc(C(=O)O)n3ncc(C(=O)O)c3n2)n1 20605527 WQCMALJEMQXKQN-UHFFFAOYSA-N 301.262 1.009 0 40 DDAB Cc1cc([C@@H](C)NC(=O)N2CCO[C@H](C(N)=O)C2)c(C)s1 51685532 OERCTVWSSMXIOF-SKDRFNHKSA-N 311.407 1.322 0 40 DDAB C[C@@H]1C[C@H](OC(=O)c2ccc(CS(C)(=O)=O)cc2)C(=O)O1 32736512 JQOAJENWOXYYEH-SKDRFNHKSA-N 312.343 1.092 0 40 DDAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccsc2)CC1 32772224 HSUNCWQQQKSXRX-AWEZNQCLSA-N 322.430 1.896 0 40 DDAB Cc1cccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 32916057 NRBBXCJBJFGZHH-CYBMUJFWSA-N 310.419 1.396 0 40 DDAB O=S(=O)(O)c1ccc(O)c2c(S(=O)(=O)O)cccc12 1648145 XIQKALDENTUXBY-UHFFFAOYSA-N 304.301 1.039 0 40 DDAB O[C@H](CN1CCC[C@H](c2noc(C3CC3)n2)C1)Cn1cccn1 78890729 YTYRCINYZINBIY-UONOGXRCSA-N 317.393 1.384 0 40 DDAB O=C(O)C1=C[C@H](c2ccc(Br)cc2)n2nnnc2N1 4998542 IESBJFYDBBFYNV-SECBINFHSA-N 322.122 1.419 0 40 DDAB CNCc1cccc(Br)c1OCCS(C)(=O)=O 42411564 HFOFLMODUVXCBV-UHFFFAOYSA-N 322.224 1.592 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 9583575 FOKCBWRWUUGZOL-UHFFFAOYSA-N 321.352 1.553 0 40 DDAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 100179323 JNJUYMAVYLYJRG-YLGOIMDESA-N 313.309 1.608 0 40 DDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)COCC(C)C 107357931 IRLSBCLXBDYWDF-BPUTZDHNSA-N 321.417 1.948 0 40 DDAB CN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)no1 107318318 UEKKKGFOTFBWGZ-SRVKXCTJSA-N 306.410 1.919 0 40 DDAB O=C([C@@H]1CSCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 107495276 MEJUYJQPBHXPKZ-FQUUOJAGSA-N 308.447 1.947 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)c2ccc(F)cc2)C1=O 52206335 BUIPSZOIRPWGKY-HNNXBMFYSA-N 322.340 1.014 0 40 DDAB CNC(=O)c1ccc(CN2CCC[C@H]2C(=O)NC2CC2)cc1 109003608 NMODOWRAVPXFHJ-HNNXBMFYSA-N 301.390 1.289 0 40 DDAB CCC(=O)Nc1ccc(C)c(NC(=O)NCC(=O)N(C)C)c1 48257390 BNVUYTAIUWHRLK-UHFFFAOYSA-N 306.366 1.553 0 40 DDAB CC(=O)NCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 62229043 NYOUKBBILAYIGR-KRWDZBQOSA-N 317.433 1.684 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)CCO1 44865812 BGDBYWVLXGYBIY-SNVBAGLBSA-N 323.374 1.202 0 40 DDAB COCCn1nc(C(=O)N[C@H]2CCc3ccccc32)ccc1=O 44890872 CVURMPITFKVIFP-AWEZNQCLSA-N 313.357 1.307 0 40 DDAB COCCCNC(=O)CN(C)C(=O)c1cccc(COC)c1 58283874 RVQBBRDNEBQXIR-UHFFFAOYSA-N 308.378 1.058 0 40 DDAB O=C(Nc1cn[nH]c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 44915238 LQWOHJGLNOEBBR-MRVPVSSYSA-N 306.272 1.680 0 40 DDAB COc1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2ccccc12 58340910 NEXWKVQEKIILAY-LLVKDONJSA-N 320.370 1.160 0 40 DDAB CCOC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1 2201287 ZEZMPNZBEDGBNP-NSHDSACASA-N 307.375 1.967 0 40 DDAB NS(=O)(=O)c1cnc(N2CCC3(CCCCC3)C2)s1 95403319 IHMHQMCCBWJRHC-UHFFFAOYSA-N 301.437 1.951 0 40 DDAB O=S(=O)(c1cccs1)N1CCN(c2nccs2)CC1 12849284 RCNZHJFKNQSPOP-UHFFFAOYSA-N 315.445 1.716 0 40 DDAB CN(C)[C@@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccco1 3420774 RACRPBNIJVJILH-LBPRGKRZSA-N 319.386 1.621 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CC2)c1 28836821 FVDQZRUQUOTQPL-UHFFFAOYSA-N 312.391 1.771 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 8734069 BTWZENHELVUGOZ-LLVKDONJSA-N 309.753 1.999 0 40 DDAB CC(=O)Nc1ccc2nc(NC(=O)[C@@H](C)NC(C)=O)sc2c1 12919187 ZCRMYXBNTHGODC-SSDOTTSWSA-N 320.374 1.718 0 40 DDAB O=C(COc1ccccc1)NCCCNC(=O)c1ccco1 13494579 NAHQPZIFOGLGSE-UHFFFAOYSA-N 302.330 1.595 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)NC[C@H](O)Cc1ccccc1 70958221 SZZLOGAHBHLWTO-MRXNPFEDSA-N 323.389 1.849 0 40 DDAB Cc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 71185636 PJHCMCWHULPEKE-UHFFFAOYSA-N 312.376 1.470 0 40 DDAB CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc[nH]c1=O 83013682 PSCYNNWBSLKFJU-UHFFFAOYSA-N 303.387 1.982 0 40 DDAB CNC(=O)Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 71284986 QUYPKXORQOBTNJ-STQMWFEESA-N 304.346 1.270 0 40 DDAB NC(=O)C1(CNC(=O)Cn2ccc3ccccc32)CCOCC1 65464137 LOIRKHVSEQDGHW-UHFFFAOYSA-N 315.373 1.040 0 40 DDAB C[C@H](NC(=O)Cn1cnc2ncccc2c1=O)c1ccccc1 65608724 LGTIRVRLQXVMPP-LBPRGKRZSA-N 308.341 1.669 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O 4502795 NHZAEKUBKUCFDG-LBPRGKRZSA-N 324.358 1.266 0 40 DDAB C[C@@H](C(=O)NCc1ccccc1F)N(C)CCNC(=O)N(C)C 95456020 OAXVJEOFFSYKTL-LBPRGKRZSA-N 324.400 1.033 0 40 DDAB O=C1O[C@@H](N2CCN(C(=O)c3ccco3)CC2)c2ccccc21 19842894 LNXAKLKGUXLIKB-MRXNPFEDSA-N 312.325 1.907 0 40 DDAB Cc1noc(C)c1COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 15910707 MRFYCNVLFUTENU-RYUDHWBXSA-N 320.345 1.510 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccn1 16730862 AAQGMKIBRGHLRE-JTQLQIEISA-N 305.359 1.220 0 40 DDAB Cn1nnc2cc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)ccc21 81702501 CTXVLUCTQZPANA-JKSUJKDBSA-N 308.341 1.356 0 40 DDAB COCCN1CCN(Cc2nc(-c3ccoc3)no2)C[C@@H]1C 70008558 CTXNKSZKDDVWAX-LBPRGKRZSA-N 306.366 1.482 0 40 DDAB C[C@H](N)C(=O)N(C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393071 UGAGPRBRNTWQGW-JSGCOSHPSA-N 305.378 1.203 0 40 DDAB O=C(COCCOc1ccccc1)NC[C@H]1CCN(C2CC2)C1 69565746 UGWOMRHXPDOYLM-OAHLLOKOSA-N 318.417 1.683 0 40 DDAB COc1ccc(-c2n[nH]cc2CN[C@H]2CCc3ncnn3C2)cc1 69521303 PFFCZSFYRNBFRF-AWEZNQCLSA-N 324.388 1.781 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@@H]1C)C2 69631042 CEEKTVPRYLLASB-MEBBXXQBSA-N 314.345 1.157 0 40 DDAB COCCCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69812753 CFLATBCHKJHPOU-AWEZNQCLSA-N 321.421 1.857 0 40 DDAB C[C@@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1ccccc1 69897864 RTJHZKGCUUALFV-HIFRSBDPSA-N 303.406 1.833 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 71837313 OWMDJGWLSUYLJU-LSDHHAIUSA-N 319.380 1.979 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c(C)s1 71830380 YPSJTWPQEXBVGP-GFCCVEGCSA-N 307.419 1.995 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 71804247 GSVZHZZDGOIPGV-NBUZRDOWSA-N 316.357 1.412 0 40 DDAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCSCC1 71856947 VMLNDUYJHUXMFW-SNVBAGLBSA-N 318.402 1.257 0 40 DDAB CCn1nc(C)cc1C(=O)N(C)c1ccccc1S(C)(=O)=O 83836799 JWODLDAGIILSQM-UHFFFAOYSA-N 321.402 1.892 0 40 DDAB CC(C)N1CCC(NC(=O)COC(=O)c2cccc(O)c2)CC1 71914283 CMLBNCJBWYAAKF-UHFFFAOYSA-N 320.389 1.538 0 40 DDAB C1CCCN(C[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 71912118 FQMISIGXRNHACQ-SFHVURJKSA-N 309.498 1.907 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(-n2cccn2)cc1 97197443 YRXBPZBCQPVUJT-AWEZNQCLSA-N 307.357 1.814 0 40 DDAB COc1ncccc1C(=O)N1CCOC[C@H]1c1cccn1C 97144145 BCCCKNCJMZHHTM-AWEZNQCLSA-N 301.346 1.642 0 40 DDAB O=C(Nc1n[nH]c(Cc2ccc(F)cc2)n1)c1ccc[nH]c1=O 72314340 TYSUKDUFAYMBEG-UHFFFAOYSA-N 313.292 1.475 0 40 DDAB Cc1ccc2c(CCNC(=O)[C@H]3CSC(=O)N3)c[nH]c2c1 73227090 MVGOFXFZVNATSL-CYBMUJFWSA-N 303.387 1.960 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2sccc2C)[C@@H](C)C1 95984612 DEZNURHWANWAKA-LBPRGKRZSA-N 310.419 1.766 0 40 DDAB Cn1cc([C@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)CCO2)cn1 89919544 DFKXPFIVJOVDHS-AWEZNQCLSA-N 308.769 1.789 0 40 DDAB CCOCCCNC(=O)c1cc(C)nc(N2CCCCC2)n1 72239821 YRFGVYBAKOTGRI-UHFFFAOYSA-N 306.410 1.932 0 40 DDAB CN(C)C(=O)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 306143433 YCDVGWSSSWUEAA-LBPRGKRZSA-N 305.382 1.051 0 40 DDAB CCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(C)=O 408555173 FCZSHLVBIZOBRN-UHFFFAOYSA-N 300.380 1.730 0 40 DDAB CC(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1 3852329 LIHUGFNJDOYCSB-CABCVRRESA-N 310.419 1.721 0 40 DDAB biogenic O=C(O)[C@H](CC1CCC1)NS(=O)(=O)C[C@@H]1CCCCO1 530472854 XYPXMYUEPKNAER-RYUDHWBXSA-N 305.396 1.118 0 40 DDAB Cc1cccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2C)c1 32508758 MAHYFZWANIYXQS-STQMWFEESA-N 310.444 1.695 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(N)COC 218514844 IVEIXUKTHAQUOL-AVGNSLFASA-N 303.811 1.584 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c1 31700109 GIUYKHXRVXGERK-MRVPVSSYSA-N 304.268 1.952 0 40 DDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)C)cc(C)c21 71195931 DQJUNNLRJGRBSJ-UHFFFAOYSA-N 310.419 1.889 0 40 DDAB Cc1c(I)c(N)nn1CC(F)(F)F 72339491 VMFVDGPDPRLJLQ-UHFFFAOYSA-N 305.041 1.941 0 40 DDAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCSCC1 522204173 CULGTDCYHRBTGY-OAHLLOKOSA-N 305.447 1.869 0 40 DDAB CCOc1ncc(C(=O)N2CCC3(C2)OCCO3)cc1Cl 79001065 WHNHCXBMTCCXFE-UHFFFAOYSA-N 312.753 1.723 0 40 DDAB O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2ccccc2c1 40166809 KQFBSAZAUGPTSN-KBPBESRZSA-N 302.355 1.535 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3scnc3C)C2)nn1 225428389 OPELERUUDGNYDD-NSHDSACASA-N 304.375 1.843 0 40 DDAB CC(C)Oc1ccc(NC(=O)C(=O)NCCCCCO)cc1 192680089 WXGYVQBDPZFGHR-UHFFFAOYSA-N 308.378 1.691 0 40 DDAB CCOC(=O)Cc1ccc(NC(=O)CN2CCCC2=O)cc1 225885563 SXQROILZHWLDHL-UHFFFAOYSA-N 304.346 1.353 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1c1nnc(-c2ccccn2)s1 195575017 HATXFZHSBKGLBX-VHSXEESVSA-N 303.391 1.690 0 40 DDAB S=C(Nc1nc(Cl)cc(N2CCOCC2)n1)NC1CC1 226004690 OZWBKNJTXZCYBG-UHFFFAOYSA-N 313.814 1.415 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 225438946 ZNXNMAFYZALJAV-GFCCVEGCSA-N 319.386 1.769 0 40 DDAB COC(C)(C)CNS(=O)(=O)c1ccc(C)c(N(C)C)c1 96472740 NCGZGUFKSJIZCT-UHFFFAOYSA-N 300.424 1.764 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2cn(C)nc2[C@H](COC)C1 96044690 SPAGPJXCZGKCTG-ZDUSSCGKSA-N 317.393 1.331 0 40 DDAB Cc1ccc2cccc(C(=O)N3CCS(=O)(=O)CC3)c2n1 96420755 DQQRNKCZDNVGIV-UHFFFAOYSA-N 304.371 1.414 0 40 DDAB O=C(NC1CCC1)[C@@H]1COC2(CCN(c3ncccn3)CC2)C1 96224900 LTFKALFGUBYQKB-ZDUSSCGKSA-N 316.405 1.521 0 40 DDAB C[C@H](C(=O)NCc1cnc(N(C)C)n1C)N1CCCCCC1 96436527 CDHACTXFWALJBJ-CYBMUJFWSA-N 307.442 1.367 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)o1 96182297 DWAIXBYHEJSIHA-OKILXGFUSA-N 312.373 1.582 0 40 DDAB Cn1cc(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)cn1 96480139 PPLGKXMKWNPEFF-MRXNPFEDSA-N 313.357 1.563 0 40 DDAB CCc1onc(C)c1C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 97097811 SDHBBQYEHGSEFW-INIZCTEOSA-N 318.377 1.667 0 40 DDAB Cc1cnnn1Cc1nnn2c1CN(Cc1ccccn1)CCC2 96259563 UIHKSWAYBHNCON-UHFFFAOYSA-N 324.392 1.027 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2[C@H]1CCN2c1nncs1 96083016 DVKCCTKHCIEDCN-OLZOCXBDSA-N 305.407 1.996 0 40 DDAB CCOC(=O)CCCCN1CCCN(C2CCOCC2)CC1 96417431 FXELOCLOAYQVGC-UHFFFAOYSA-N 312.454 1.907 0 40 DDAB Fc1cnc(N2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 96072711 WGJHNABSWDNVTN-WFASDCNBSA-N 316.340 1.256 0 40 DDAB O=C(COc1ccc(C(=O)NC2CC2)cc1)NCC1CCC1 95394125 VOXUDFOGFVLKLH-UHFFFAOYSA-N 302.374 1.874 0 40 DDAB Cn1c(N2CCC(C(=O)O)CC2)nc(C(F)(F)F)cc1=O 96516800 XNLJOCVQCFXEPA-UHFFFAOYSA-N 305.256 1.100 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CN)CO 242495507 GGJUAAZIIXMRGQ-UPJWGTAASA-N 303.811 1.178 0 40 DDAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN1CC(N)=O 257340694 ZHEUWXLLNDGDIT-LBPRGKRZSA-N 312.377 1.546 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2cccn2)C[C@@H]1c1ccccc1 257269121 MOQWDHSSODJEDU-MRXNPFEDSA-N 312.373 1.315 0 40 DDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C1 257228730 FVABFUIAKZWXQU-AWEZNQCLSA-N 322.372 1.929 0 40 DDAB Cc1noc(C)c1C(=O)N1CCOC[C@H](Cc2ccncn2)C1 257249108 JGVUGVGWPUWBEF-CYBMUJFWSA-N 316.361 1.413 0 40 DDAB Cc1ncc(CN2CCC[C@@H]2c2nccc(CN(C)C)n2)cn1 257217261 CYFSUNZLHHTNLR-MRXNPFEDSA-N 312.421 1.974 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)[C@H]1O 257246048 ISFSPKBRUAAWCE-BRWVUGGUSA-N 320.433 1.749 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCCC[C@@H]1c1ccn[nH]1 257233101 GNUXTJPUBIGILA-CQSZACIVSA-N 310.361 1.908 0 40 DDAB CC(=O)N1CCCC[C@@H]2CN(C(=O)c3ccncc3)CC[C@H]21 257212344 CCYZKGITMVAANR-HZPDHXFCSA-N 301.390 1.945 0 40 DDAB CN1CCN(C(=O)c2csc3c2CCCC3)C[C@H](C(N)=O)C1 257262720 LMOHVWILZFJULQ-LLVKDONJSA-N 321.446 1.116 0 40 DDAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)COC2=O)C1 252502816 UTRZDOHHNONEHG-UHFFFAOYSA-N 308.721 1.072 0 40 DDAB Cc1cccc(C(=O)N2[C@@H](CN)C[C@@]3(C)[C@H](O)CCCC[C@@H]23)n1 257253833 KAKUXBRBPZUHOX-GFOCRRMGSA-N 317.433 1.873 0 40 DDAB COCc1c(C(=O)N2CCC[C@@H]2c2cnccn2)noc1C 257230300 GBPZNHPTTAUVQY-CYBMUJFWSA-N 302.334 1.897 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cnccn3)CCO2)ncn1 257279586 OHHVKRRHWVHDLS-CQSZACIVSA-N 313.361 1.049 0 40 DDAB Cc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260897664 OCPDDOMMXOVTBG-CYBMUJFWSA-N 312.435 1.922 0 40 DDAB O=C(C1=NO[C@@H]2CN(C(=O)c3ccccc3)C[C@H]12)N1CCCC1 585109007 MYVFZIHDCDKVQL-UONOGXRCSA-N 313.357 1.136 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cn1)C2 585108590 WTDRCPNKHFOITL-WBVHZDCISA-N 322.380 1.807 0 40 DDAB Cc1nc(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)co1 585275827 JZEOJRCPKFKHQD-KRWDZBQOSA-N 320.364 1.928 0 40 DDAB CCOC(=O)c1ccc(N2CCC[C@@H](c3nncn3C)C2)nc1 29588487 PWAAOQXWTWQFCZ-CYBMUJFWSA-N 315.377 1.771 0 40 DDAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)C1=NOC2(CCNCC2)C1 1548544345 CQHDXLTTYSGGJG-BNOWGMLFSA-N 321.421 1.205 0 40 DDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@H]2CCCC[C@@H]21 69875237 FVAVWRKCRMYYBC-KFWWJZLASA-N 317.437 1.364 0 40 DDAB COC(=O)c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)nn1 48332446 WXORNNOELONBTE-LLVKDONJSA-N 303.322 1.382 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)CN(C)Cc1ccccc1)C(=O)OC 58010048 DYZMSWKCNPMBPP-XJKSGUPXSA-N 306.406 1.822 0 40 DDAB O=C1CC[C@@H](c2nc(CNC3CCOCC3)no2)N1CC1CC1 1775964166 UXPNKOYHWWDAAQ-ZDUSSCGKSA-N 320.393 1.412 0 40 DDAB biogenic,in-vitro Cc1cnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 101873344 RZBKVBXMQDMLBS-NXEZZACHSA-N 305.359 1.341 0 40 DDAB COc1ccc(OC)c(CN(CCO)C(=O)c2cc(C)no2)c1 78647019 CBJCUTNWZGPNRB-UHFFFAOYSA-N 320.345 1.635 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Br)o2)C1 96098085 KONMUQDLXGUDGQ-ZETCQYMHSA-N 322.180 1.301 0 40 DDAB O=C(NCc1cccs1)N1CCN(C[C@H](O)C2CC2)CC1 85466780 LHADUXPMJDPWLS-AWEZNQCLSA-N 309.435 1.346 0 40 DDAB COc1cnc(OC2CCN(Cc3cn(C)nc3C)CC2)nc1 1204583374 PLERQJAPNWHLMM-UHFFFAOYSA-N 317.393 1.571 0 40 DDAB CN(C)CCc1c[nH]c2ccc(C[C@@H](CC(=O)O)C(=O)O)cc12 1569995738 RONCKBOOCNEYQV-ZDUSSCGKSA-N 318.373 1.990 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2nc(-c3ccoc3)oc2=O)C1 12154243 VDTKRRIPDDGPEH-PHIMTYICSA-N 305.334 1.601 0 40 DDAB COC(=O)c1cc(C)nc2c1c(C)nn2CC(=O)NC1CC1 12396580 AVANGALTXBXCDC-UHFFFAOYSA-N 302.334 1.113 0 40 DDAB COC(=O)CCn1c(=O)cc(C(F)(F)F)c2c(C)n(C)nc21 12398143 PQWYNNYYNYFZGT-UHFFFAOYSA-N 317.267 1.625 0 40 DDAB O=C(C1CCCC1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19292395 VFOPRFUKQIWVEA-CYBMUJFWSA-N 300.406 1.628 0 40 DDAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OC(C)C 6345884 ICARYRNCJQRMQY-WDZFZDKYSA-N 303.318 1.584 0 40 DDAB COc1ccc(C[C@]2(O)COc3cc(O)cc(O)c3C2=O)cc1 14758416 BLSFQQNRFOVLGQ-KRWDZBQOSA-N 316.309 1.655 0 40 DDAB biogenic,in-vitro Cc1ncn(CC(=O)N2CCC3(CC2)CC3(F)F)c(=O)c1C 675007599 VWBXWKXAIGOOIQ-UHFFFAOYSA-N 311.332 1.508 0 40 DDAB COc1cc(C(=O)OCC(=O)C(C)(C)C)ccc1OCC(N)=O 10897335 MDKAGIXSDSJZGQ-UHFFFAOYSA-N 323.345 1.331 0 40 DDAB CC(=O)N1CCN(C(=S)NC(=O)c2ccc(F)cc2)CC1 3256498 HFHMZLMTHMGNGO-UHFFFAOYSA-N 309.366 1.005 0 40 DDAB COc1cc(OC)nc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)n1 1889084143 JKKQOOHESKVXQI-RYUDHWBXSA-N 304.394 1.414 0 40 DDAB Cc1cc(CCNC(=O)c2ccc3nsnc3c2)nn1C 239808103 KHNQHWGIONSUTE-UHFFFAOYSA-N 301.375 1.706 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)C3CC(F)C3)CC2)C1 1565549414 QQIGBQGXDNDAJT-UHFFFAOYSA-N 318.414 1.055 0 40 DDAB CNC(=O)C[C@@H]1OC[C@H]2CN(Cc3cccc(C)c3)CC[C@@H]12 1565552845 AMXOVIUPCPSTPE-ZACQAIPSSA-N 302.418 1.968 0 40 DDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21 1565548725 IXPVRPMCBPOYIC-BFHYXJOUSA-N 324.396 1.268 0 40 DDAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccco1 17169641 UWOCYKAKSAGWSH-UHFFFAOYSA-N 303.709 1.839 0 40 DDAB CN(C)c1cccc(C(=O)N2CCN(c3cnsn3)CC2)c1 585149046 XUECUNUGNAUKSL-UHFFFAOYSA-N 317.418 1.567 0 40 DDAB Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N)C1 50242046 WUAPYENQFQLYIQ-JTQLQIEISA-N 319.224 1.479 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 50246480 AKMHYKUTCWKBQV-QMMMGPOBSA-N 309.218 1.963 0 40 DDAB O=C(NCCc1nccs1)c1cccc(-n2cnnn2)c1 50468394 KPSJBUHUDRQZSC-UHFFFAOYSA-N 300.347 1.091 0 40 DDAB CC(=O)Nc1cc(O)c2c(c1O)[C@@H]1CCS(=O)(=O)C1=C(C)C2 100690559 JEMNARLUIWWXGV-VIFPVBQESA-N 323.370 1.788 0 40 DDAB Cc1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)n1 40535866 ZBVYLOALSAXPPJ-QGZVFWFLSA-N 324.340 1.697 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 51381740 NLSHXUKNHLZEJE-RHSMWYFYSA-N 320.389 1.531 0 40 DDAB CC(=O)NCCNc1ncnc2ccc(Br)cc12 32541008 MFGKPMKEQIXWBL-UHFFFAOYSA-N 309.167 1.940 0 40 DDAB Nc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 413945 SJEFMBBPNQXMBA-UHFFFAOYSA-N 300.366 1.371 0 40 DDAB OCCn1ncc2c(NCc3ccc4c(c3)OCO4)ncnc21 97200056 MPXGSMUBURJAPO-UHFFFAOYSA-N 313.317 1.159 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCc3ccccc3)C[C@@H]2C)CC1 76058371 ZXDFVPCGMNTHHO-LPHOPBHVSA-N 315.461 1.714 0 40 DDAB Cn1ccnc1SCC(=O)Nc1ccc([S@](C)=O)cc1 76066247 ZVXSNKRRCNJGJC-HXUWFJFHSA-N 309.416 1.888 0 40 DDAB CC(C)NC(=O)CN1CCN(c2cnc3ccccc3n2)CC1 41872926 IXSLDEUZQNJBCY-UHFFFAOYSA-N 313.405 1.276 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccnc1 22375262 VNAKVAKEODJKIA-UHFFFAOYSA-N 303.406 1.847 0 40 DDAB Cc1cc2occ(CC(=O)O[C@H](C)C(=O)NC(N)=O)c2cc1C 4493584 HTDLFHWMPGHTDR-SNVBAGLBSA-N 318.329 1.719 0 40 DDAB OCCN1CCN(Cc2csc(Br)c2)CC1 42186928 RGAUBLWSHOCDKE-UHFFFAOYSA-N 305.241 1.621 0 40 DDAB CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4834764 IXVONMSZXRKCEB-UHFFFAOYSA-N 305.359 1.724 0 40 DDAB CCN(CC)C(=O)CN1CCCN(c2nc(C)cc(C)n2)CC1 97211402 HOBUPZPABLGDSO-UHFFFAOYSA-N 319.453 1.474 0 40 DDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)cc1 6880383 WWLVWPDQGIQXIO-UHFFFAOYSA-N 314.407 1.278 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1C 6953173 DWJAWCXTFSTYNO-AWEZNQCLSA-N 303.406 1.842 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)cc(OC)c1O 12418376 SUJLJFUWJMDIAB-ZETCQYMHSA-N 321.358 1.922 0 40 DDAB biogenic,in-vitro CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1cccnc1 24685814 KEAUDMPWYRRYGF-HSBSLETESA-N 323.418 1.025 0 40 DDAB COc1ccccc1-n1cc(C(=S)N2CCOCC2)nn1 1417855 HQUWEWGNFQUXHB-UHFFFAOYSA-N 304.375 1.284 0 40 DDAB CN(C)c1ccc(CNC(=O)[C@H]2CC(c3ccccc3)=NO2)cn1 56893691 RAOVKVSPWZRWNP-MRXNPFEDSA-N 324.384 1.957 0 40 DDAB CC(C)CNC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 35362437 OSKNQADJZPTIBY-UHFFFAOYSA-N 318.421 1.290 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107263662 UQNYZZPTGGKKCH-ARFHVFGLSA-N 301.390 1.197 0 40 DDAB CCOC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1 1907694 MFVMHSCORMPTGD-UHFFFAOYSA-N 319.313 1.160 0 40 DDAB biogenic CN(Cc1cnn(C)c1)C(=O)Nc1cccnc1-n1cccn1 48197640 HFHCCTNKROPGTJ-UHFFFAOYSA-N 311.349 1.665 0 40 DDAB O=C(Cc1cccc2cccnc12)N[C@H]1CCS(=O)(=O)C1 44894788 QNDRATNIAZFSSO-ZDUSSCGKSA-N 304.371 1.081 0 40 DDAB Cc1ccc(/C=C/C(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)o1 58281725 MHSHYAAHNYQJRG-JLVOYYQZSA-N 320.389 1.743 0 40 DDAB COc1ccc(NC(=O)c2ccc[nH]c2=O)cc1NC(C)=O 12733907 OWIMVJJWBMJUSC-UHFFFAOYSA-N 301.302 1.594 0 40 DDAB C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)NCc1ccco1 58293296 VWVYKPRQRHWZNR-XHDPSFHLSA-N 314.341 1.404 0 40 DDAB COCCOc1ncccc1C(=O)NCCc1cccnc1 58281712 ZRLFOZXLGYJFCM-UHFFFAOYSA-N 301.346 1.474 0 40 DDAB CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 2146499 LZZKCUXNLRHPED-UHFFFAOYSA-N 313.423 1.168 0 40 DDAB O=C(CS(=O)(=O)c1ccccc1Cl)NC[C@@H]1CCCO1 44946991 PEWPXXRMKCTVGX-JTQLQIEISA-N 317.794 1.409 0 40 DDAB c1cnc(N2CCC[C@H](Nc3cncc(-n4cccn4)n3)C2)nc1 44976707 JUNUTOYOFRDAKT-ZDUSSCGKSA-N 322.376 1.533 0 40 DDAB C[C@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)[C@H]1CCCO1 27884830 KSXIOLOBPLDAQB-VHSXEESVSA-N 323.374 1.249 0 40 DDAB COCCNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 58432226 SFSWYUSBWQCKLI-QMMMGPOBSA-N 312.420 1.619 0 40 DDAB CCOC(=O)[C@](NC(=O)c1ccccc1)(OC)C(F)(F)F 2300570 APBIOOKLULOXFU-LBPRGKRZSA-N 305.252 1.885 0 40 DDAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2C1 12894305 OOEIHLSCNODFOK-UHFFFAOYSA-N 322.361 1.335 0 40 DDAB biogenic CC(C)Cn1nc(/C(O)=N/S(C)(=O)=O)c2ccccc2c1=O 48479378 YPTSNVSXRMCWGG-UHFFFAOYSA-N 323.374 1.317 0 40 DDAB COc1cccc(CN(C)Cc2nc(N)nc(N(C)C)n2)c1 12905769 ADGCOIPBQFVTCZ-UHFFFAOYSA-N 302.382 1.160 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1nc2ccccc2c(=O)[nH]1 83064874 MMAHDZBROMBLLL-CABCVRRESA-N 321.336 1.311 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 4306678 RXLABSIVFJHQMK-UHIISALHSA-N 306.387 1.745 0 40 DDAB COc1ccc([C@@H](NC(=O)C2=NNC(=O)CC2)C2CC2)cc1 65614078 ZIVUIWROCJUTBC-HNNXBMFYSA-N 301.346 1.529 0 40 DDAB c1cnc(Oc2cccc(Oc3ccc4nnnn4n3)c2)nc1 65610676 FVCSSDYMRCBRHF-UHFFFAOYSA-N 307.273 1.894 0 40 DDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2ccsc2)CC1 71799497 ULQFKVRFDQZUGO-UHFFFAOYSA-N 315.398 1.670 0 40 DDAB COC[C@@H](NC(=O)c1cccc2[nH]c(C)nc12)c1ccnn1C 71388639 OAWXGOHUCRDHIP-CYBMUJFWSA-N 313.361 1.722 0 40 DDAB COc1cccc(-c2noc(CN3CCC[C@H]3C(N)=O)n2)c1 66560474 CFHHFFGTUUSKKK-LBPRGKRZSA-N 302.334 1.195 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 6820846 MDQVQNSBJFYLFU-SECBINFHSA-N 305.363 1.204 0 40 DDAB Cc1cccnc1[C@H](NCC(=O)NC1CCOCC1)C(C)C 96424411 ZYNYKQJNTNGGCW-MRXNPFEDSA-N 305.422 1.972 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)N1CCc2ccccc2C1 5895118 ATJYBKUSMQEKTQ-GFCCVEGCSA-N 317.341 1.391 0 40 DDAB Cc1cc(C)cc(NC(=O)COC(=O)CN2CCSC2=O)c1 7880854 GXBPIAGLSZCELC-UHFFFAOYSA-N 322.386 1.954 0 40 DDAB COc1c(C)cnc(CNC(=O)CCNCC(F)(F)F)c1C 69350864 ZWSLUKRGJKURLG-UHFFFAOYSA-N 319.327 1.865 0 40 DDAB COc1ccc(C)cc1NC(=O)CCCN1C(=O)CN(C)C1=O 8315694 PZFINLVWIYAOLB-UHFFFAOYSA-N 319.361 1.616 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](C)N1CCOCC1 69464739 PYDOWJLXJLTPLZ-OAGGEKHMSA-N 309.454 1.182 0 40 DDAB 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Cc1cccc(C[C@H](CNC(=O)c2cc(C)nn2C)C(=O)O)c1 97018776 JHVSXLORJWNBKN-CQSZACIVSA-N 315.373 1.710 0 40 DDAB Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(C)s2)n1 97098157 VWQYSNQOIGSQEE-LBPRGKRZSA-N 307.375 1.891 0 40 DDAB Cc1ccc2c(c1)[C@@H](NC(=O)CSc1nnnn1C)[C@@H](C)C2 97079971 JLJKGNHRUYIKCC-HZMBPMFUSA-N 317.418 1.660 0 40 DDAB Cc1cc(N2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)nc(C)n1 97034107 LCNKWSNNNBUYSI-IEBWSBKVSA-N 324.428 1.874 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc3c1OCCO3)C2 72279056 NGVSWJAHLMFZCW-GFCCVEGCSA-N 313.357 1.708 0 40 DDAB CCn1c(C)cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1C 72269498 INLWNZUWFUDSLL-IAGOWNOFSA-N 319.449 1.796 0 40 DDAB CCc1nc(CC(=O)N2CCOC[C@@H]2c2ncon2)cs1 95453012 LBAPDRSWRPXUJY-SNVBAGLBSA-N 308.363 1.231 0 40 DDAB CN1C[C@@H](C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1=O 97111897 JDONLLULXAGFAF-HOTGVXAUSA-N 316.401 1.325 0 40 DDAB NC(=O)Cn1cc(Nc2nc(-c3ccccc3)ns2)cn1 97163551 HVZMISBVUJRVGI-UHFFFAOYSA-N 300.347 1.631 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ncccc3O)[C@H](C)C2)n1 97165491 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C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 63194277 BFVAMRPEMDJTHS-TVQRCGJNSA-N 304.362 1.855 0 40 DDAB CN(C)C(=O)CSCC(=O)NCc1ccc(Cl)cc1 8935392 XHLMBQWMOQNAIV-UHFFFAOYSA-N 300.811 1.778 0 40 DDAB O=C(NCc1ccncc1)C(=O)Nc1ccc2nsnc2c1 13730782 QHIJRJHIOLXMMF-UHFFFAOYSA-N 313.342 1.341 0 40 DDAB CCN(CC)C(=O)C1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1 65804845 PQCWDCBFYALSFN-UHFFFAOYSA-N 319.405 1.676 0 40 DDAB Nc1nc(SCCCN2C(=O)c3ccccc3C2=O)n[nH]1 5482924 PJXVHLTZRDPDED-UHFFFAOYSA-N 303.347 1.165 0 40 DDAB CNc1cc([C@H]2CCN2S(=O)(=O)c2ccccc2)nc(C)n1 72387628 LDVDBWBPZSICFU-CQSZACIVSA-N 318.402 1.962 0 40 DDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCC[C@@H](C)C3)nc2c1 6506317 IOQOSYXHJZITKE-LLVKDONJSA-N 315.373 1.942 0 40 DDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(O)cc1 4717305 OUQPZOWPESVZQS-VXGBXAGGSA-N 320.374 1.614 0 40 DDAB Nc1c(Br)c(=O)[nH]c(=O)n1-c1ccccc1Cl 4742617 VCBQYWGLRSXHCW-UHFFFAOYSA-N 316.542 1.524 0 40 DDAB biogenic,in-vitro CCOC(=O)C1=C(CN2c3ccccc3C[C@@H]2C)NC(=O)NC1 7358072 LBETWIAQTORZJY-NSHDSACASA-N 315.373 1.568 0 40 DDAB Cc1cc(C)n2ncc(C(=O)N(C)CC(=O)N3CCCC3)c2n1 68014607 XZMKQSYNDRCJAR-UHFFFAOYSA-N 315.377 1.041 0 40 DDAB O=C1N[C@H](C(=O)NCCc2ccc(F)cc2Cl)CS1 81401115 SJHPYMYEUDWBBT-JTQLQIEISA-N 302.758 1.963 0 40 DDAB CCCCCNC(=O)NCCCCN1CCC(C(N)=O)CC1 71798600 QFXHARXGZFGIBS-UHFFFAOYSA-N 312.458 1.453 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)CC1 70038699 ZQXTYVPHCWEYSJ-CYBMUJFWSA-N 301.390 1.317 0 40 DDAB NC(=O)c1ccc(=O)n(CCOc2ccc(F)cc2Cl)n1 93903971 SLJSJSFSRLLNHW-UHFFFAOYSA-N 311.700 1.214 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 81864884 DEUSFINPHJYEFB-HRCADAONSA-N 307.365 1.833 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69521111 FUUKTQMZVRWHLJ-YHUYYLMFSA-N 310.438 1.656 0 40 DDAB C[C@@H]1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)C[C@@H](C)O1 71846767 AABHTOCTJZIQMS-VXGBXAGGSA-N 317.345 1.139 0 40 DDAB CC(C)C[C@H](C(=O)N1CCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 71815233 SCLCZJWHTQGXFI-MELADBBJSA-N 304.390 1.585 0 40 DDAB CC(C)[C@H](C(=O)N1CCN(c2ccncc2)CC1)n1cncn1 71819688 ZBDLZUKGDMXQPC-OAHLLOKOSA-N 314.393 1.219 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(CC(=O)Nc2ccncc2)CC1 69652368 BLTODHFLNNVYSP-HNNXBMFYSA-N 320.437 1.045 0 40 DDAB CCSc1ccc(C(=O)N2CCCC[C@H]2CNC(N)=O)cn1 71847492 VGQBWNOGEMSADY-LBPRGKRZSA-N 322.434 1.857 0 40 DDAB C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@@H](C(N)=O)O1 92006561 YKODVLJQVOJBGZ-DYVFJYSZSA-N 311.385 1.823 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)C2 71860226 FRGWSCHVHXFEON-LSDHHAIUSA-N 323.400 1.626 0 40 DDAB CN1CCN(C)[C@H](CNC(=O)NCCc2cccc(Cl)c2)C1 71897560 WNIWDVYXAZPWGW-OAHLLOKOSA-N 324.856 1.428 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)CC1=O 69980563 QOVPFVFVCZURNA-JKSUJKDBSA-N 321.465 1.579 0 40 DDAB O=C(Cn1cc(-c2ccccc2)nn1)N[C@H](CO)c1ccccc1 97047521 PPDXPQOQCLBCQS-QGZVFWFLSA-N 322.368 1.795 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)c2nccnc2N)no1 72299665 ZKBSFUTWJXZHQW-VIFPVBQESA-N 302.338 1.543 0 40 DDAB Cn1ccnc1C[C@H]1CCCN(Cc2cnc3cnccn23)C1 97139244 WNSWVOZXKDOIPD-CQSZACIVSA-N 310.405 1.918 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCOC[C@@H]1CCCO1)C2 97198900 AYDSJERCHJHXFF-KGLIPLIRSA-N 307.394 1.208 0 40 DDAB COC(=O)[C@@H]1CCCN1c1cc(C(F)(F)F)nc2ncnn12 97104051 DAXUGCCJNANYNH-ZETCQYMHSA-N 315.255 1.285 0 40 DDAB Cn1ccnc1CNC[C@H](c1cccs1)N1CCOCC1 72314842 UCOBNSDDKVGIQB-CYBMUJFWSA-N 306.435 1.645 0 40 DDAB Cn1cc([C@H](O)CNC(=O)Nc2nnc(C3CC3)s2)cn1 72303900 XHEUHCVUHHDNJW-SECBINFHSA-N 308.367 1.004 0 40 DDAB CCC[C@@H](CNC(=O)C1=COCCC1)NC(=O)C1=COCCC1 95393254 YOOASYIOLBOTGR-HNNXBMFYSA-N 322.405 1.776 0 40 DDAB O=C([C@H]1SCCc2sccc21)N1CCN(CCO)CC1 84618268 IIWGSJFKABEJGL-ZDUSSCGKSA-N 312.460 1.215 0 40 DDAB CC[C@@H]1CN(C(=O)c2c[nH]c(C(C)C)n2)C[C@H]1N1CCOCC1 84735996 NLXWIKVYGPAFGK-UKRRQHHQSA-N 320.437 1.716 0 40 DDAB C[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O)n1cccn1 95463999 NLCIEIUVSLLCOB-ZWNOBZJWSA-N 305.309 1.395 0 40 DDAB CCS(=O)(=O)CCCn1cc(Br)ccc1=O 88055566 XRLKSFPAIJKDNO-UHFFFAOYSA-N 308.197 1.436 0 40 DDAB O=C(N[C@H]1COc2ccccc21)N1CC[C@](O)(C(F)(F)F)C1 98016389 FCQZIEMQLFVADV-GXFFZTMASA-N 316.279 1.829 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccc3nncn3n2)CC1 73737011 QJQGNUAVVNVCAV-UHFFFAOYSA-N 304.354 1.181 0 40 DDAB NC1(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)CCC1 95971705 CCPVCNRFMPMGFQ-UHFFFAOYSA-N 309.360 1.885 0 40 DDAB C[C@@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)[S@](C)=O 89901205 UPIOXGLQCNSKRR-KPWVOAKYSA-N 318.398 1.539 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)c1ccsc1 56906457 XOLXDTQCEOSEAA-AWEZNQCLSA-N 322.430 1.904 0 40 DDAB Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c2c(C)nn(C)c2n1 27985184 VXBMOFVUBONPRF-PHIMTYICSA-N 302.378 1.835 0 40 DDAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 79412446 XMZFXTQJXILMAV-OAHLLOKOSA-N 319.405 1.593 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 123090103 YWFRNXNVMZDBJC-UHFFFAOYSA-N 317.320 1.818 0 40 DDAB O=c1cc(CN2CC3(CCOCC3)CC[C@@H]2CO)occ1O 528637840 GXOPZWSIVNSXGQ-GFCCVEGCSA-N 309.362 1.099 0 40 DDAB Cc1cc(OCc2ncc(CC(=O)O)c(=O)[nH]2)ccc1Cl 217385931 RSSIECOVLQFHEL-UHFFFAOYSA-N 308.721 1.938 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958054 BDEAJTAFBUNTAS-GFCCVEGCSA-N 304.346 1.049 0 40 DDAB COc1ccc(I)c(OC)c1CCN 40442542 GPFFWBVUXLGYHG-UHFFFAOYSA-N 307.131 1.810 0 40 DDAB COc1cc(C)n(CCNC(=O)c2c(C)noc2C)c(=O)c1 225615843 WTZDHWCHGJRKJQ-UHFFFAOYSA-N 305.334 1.200 0 40 DDAB CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225039514 RIWUYDXZBMIRBT-UHFFFAOYSA-N 312.376 1.007 0 40 DDAB CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCO1 333816461 IARLFMMWENCXBL-DOMZBBRYSA-N 306.410 1.724 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)OCCO3)C2 97199021 DJMRYGXWLFRBAQ-ZDUSSCGKSA-N 313.357 1.708 0 40 DDAB CNS(=O)(=O)CC(=O)NC1(c2cccs2)CCCCC1 95409342 JRJFVQAREZVEFP-UHFFFAOYSA-N 316.448 1.573 0 40 DDAB COC(=O)c1cnc(OCCN(C)C)c(Br)c1 143934506 ALMFYLFVBZAQAX-UHFFFAOYSA-N 303.156 1.571 0 40 DDAB CC(C)CN1CCC2(CCN(Cc3cnn(C)c3)CC2)C1=O 96157730 DLDSCNFEYFCPCJ-UHFFFAOYSA-N 304.438 1.891 0 40 DDAB CNC(=O)c1cccc(N2CCC[C@@H](c3nc(C)no3)C2)n1 91455063 JDLJYKZZBBJTDO-LLVKDONJSA-N 301.350 1.517 0 40 DDAB CC1(C)CN(C(=O)c2ccnc3ccccc23)CCS1(=O)=O 96462378 YQKPDJKWKVKNGZ-UHFFFAOYSA-N 318.398 1.884 0 40 DDAB O=C(NCC1CC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96186930 QLBFGSPCWPFINH-OAGGEKHMSA-N 304.390 1.928 0 40 DDAB CN(C)C(=O)C1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 96482585 BOYOYDHAXFFMHM-INIZCTEOSA-N 317.433 1.273 0 40 DDAB Cc1ccc(C)c([C@H](O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c1 96441457 CVMUOZIWHACBTF-GOEBONIOSA-N 311.447 1.703 0 40 DDAB CC(C)CNC(=O)C1(NC(=O)NCC(F)(F)F)CCCC1 96501007 KYMMKSQIKGGHIY-UHFFFAOYSA-N 309.332 1.933 0 40 DDAB COc1cccc2c1CCN(C(=O)NC[C@H](C)[S@@](C)=O)C2 96501299 GCEBLOKPHVQHHS-MQJDWESPSA-N 310.419 1.530 0 40 DDAB CN(C)c1cccc([C@@H]2CCCN2CCNS(C)(=O)=O)c1 96441496 WKYQUSDSOPEMJJ-HNNXBMFYSA-N 311.451 1.439 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2nccn2C1 96187811 IMEIQRHHKHFUIG-LBPRGKRZSA-N 304.350 1.488 0 40 DDAB O=C(c1cnccn1)N1CCc2c(COCC3CC3)cncc2C1 96059315 SIEIWSMMDMMGBR-UHFFFAOYSA-N 324.384 1.997 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)C(C)C)CC2 96254706 PCUSFDFDKVRPQR-UHFFFAOYSA-N 302.422 1.968 0 40 DDAB CCN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 252504212 VIGRKEPPXFOSJB-UHFFFAOYSA-N 324.402 1.007 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)n1 257199937 ABIMWCGMPNFPBF-CQSZACIVSA-N 303.337 2.000 0 40 DDAB Cc1nn(C)cc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257341821 ZMCNIDWWIGFPQX-LBPRGKRZSA-N 315.377 1.343 0 40 DDAB CCn1cc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)cn1 257242205 IBMZPXWAWNJQSZ-GFCCVEGCSA-N 315.377 1.517 0 40 DDAB COC(=O)NCCS(=O)(=O)c1nc2ccccc2s1 255188377 JQCDKYGCYMQFKB-UHFFFAOYSA-N 300.361 1.426 0 40 DDAB CCn1ncc(S(=O)(=O)N2CC[C@H](c3nc(C)c[nH]3)C2)c1C 257200098 ABYXXMJCRVMOEP-LBPRGKRZSA-N 323.422 1.421 0 40 DDAB CCOC(=O)c1cnc(C)c(C(=O)Nc2ncccc2O)c1 390834576 FQBQHZXIWRLGCC-UHFFFAOYSA-N 301.302 1.920 0 40 DDAB N[C@]12CCC[C@@H]1CN(C(=O)c1ncc(Br)cn1)C2 1580158294 RBIFCJSRVNRJPX-PELKAZGASA-N 311.183 1.193 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCC(Oc2ncc(F)cn2)CC1 1776009107 VGZRFCZTBUQAGG-CYBMUJFWSA-N 324.356 1.348 0 40 DDAB CCN(C(=O)N1CCN(C(=O)c2ccncc2)CC1)C(C)C 95943024 XEVHOPIWBRGRPS-UHFFFAOYSA-N 304.394 1.690 0 40 DDAB COCCSCC(=O)N1CCN(c2ccc(F)cc2)CC1 74269719 QLXJNUMKEZHJEY-UHFFFAOYSA-N 312.410 1.854 0 40 DDAB O=C(OCCNc1cccnn1)c1cccc(-c2nnco2)c1 95942891 SKJAIGHXWYZUAL-UHFFFAOYSA-N 311.301 1.796 0 40 DDAB Cn1cc(C(=O)NCC2(c3cccs3)CCOCC2)nn1 96120236 UBOASDCKWMJPPK-UHFFFAOYSA-N 306.391 1.355 0 40 DDAB C=CC(=O)O[C@H](C)COC[C@H](C)OC[C@@H](C)OC(=O)C=C 6020874 ZDQNWDNMNKSMHI-YNEHKIRRSA-N 300.351 1.644 0 40 DDAB CS(=O)(=O)N1CC[C@H](Oc2ncccc2Br)C1 238865911 LTSLGOVMIYUSJE-QMMMGPOBSA-N 321.196 1.257 0 40 DDAB O=C(C[C@H](C(=O)O)N1CCOCC1)Nc1ccc(F)cc1F 5258715 TYPBMKGKJIXXFT-GFCCVEGCSA-N 314.288 1.079 0 40 DDAB CCc1nn(CC(=O)NC2CCC2)c(=O)c2cc3occc3n12 12115477 JRHQPNVXFYGGJL-UHFFFAOYSA-N 314.345 1.473 0 40 DDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)CC2CC2)C1 225505941 CRUKTOCIFAGKFT-CYBMUJFWSA-N 304.394 1.713 0 40 DDAB CC(=O)N1CCc2ccc(NC(=O)NC[C@H]3CCCO3)cc2C1 225551200 AXEQPTRFWDMCHZ-MRXNPFEDSA-N 317.389 1.892 0 40 DDAB CCS(=O)(=O)C1CN(C(=O)Cc2coc3cc(C)ccc23)C1 573776918 LDLVSLVHRNOJBT-UHFFFAOYSA-N 321.398 1.929 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)CC(C)C)C2)no1 585146895 DISAFBDORLLRSG-LBPRGKRZSA-N 314.407 1.658 0 40 DDAB O=C(O)/C=C\C(=O)N1CCN(C/C=C\c2ccccc2)CC1 33341930 QOOIMMZWEPKWFN-UHWGBUKQSA-N 300.358 1.485 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN(CCn2nccn2)CC1 1849469235 VYYWDXXLESTJEE-UHFFFAOYSA-N 321.816 1.322 0 40 DDAB O=C(NCCNC(=O)c1ccco1)c1ccc(-n2cccn2)cc1 23041631 ZGNOQNHYWQXPTB-UHFFFAOYSA-N 324.340 1.625 0 40 DDAB CS(=O)(=O)NCCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 129214835 CUEJPTNVWQEOHS-NXEZZACHSA-N 302.362 1.636 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1cnn3ccccc13)C2 1073065069 VSWYFTOEIFNZOI-UHFFFAOYSA-N 314.389 1.129 0 40 DDAB CCn1nnc2c(=O)n(Cc3c(F)cccc3Cl)cnc21 13531600 KZXDFIZNGPGEME-UHFFFAOYSA-N 307.716 1.849 0 40 DDAB O=C(NCCOCCn1cccn1)c1ccc2ncsc2c1 575619034 FWTHXISBBQUPCD-UHFFFAOYSA-N 316.386 1.939 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O 8480213 MTODZIVDZDTPKB-QMTHXVAHSA-N 317.345 1.012 0 40 DDAB biogenic CCCCN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 40543429 BBPBTLWKMNOSQO-OAHLLOKOSA-N 324.402 1.657 0 40 DDAB O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 32066008 CVUVGRNGRRHUTH-QGZVFWFLSA-N 317.433 1.099 0 40 DDAB CC(=O)N[C@H](CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccccc1 32975499 FOYZSEXBRYRPPK-DVOMOZLQSA-N 304.390 1.890 0 40 DDAB COc1cc(S(=O)(=O)n2ccnc2)ccc1Br 2710272 UOLJQRZWDKAYIJ-UHFFFAOYSA-N 317.164 1.891 0 40 DDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2c(C)nn(CC)c2C)C1 76058448 MPLCONALSLBJMR-GXFFZTMASA-N 314.455 1.138 0 40 DDAB CC(C)N1C[C@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 76058690 WFCIGJLUZXLZSR-LRDDRELGSA-N 324.446 1.724 0 40 DDAB CC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1379235 MTBOSOVKTIUMBT-ZDUSSCGKSA-N 314.382 1.503 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1cn(Cc2ccccc2)nn1 77743867 SYUCTPMOBMOJBV-HNNXBMFYSA-N 314.389 1.825 0 40 DDAB CCN(C(=O)NCc1ccsc1)[C@@H](C)CS(C)(=O)=O 78808575 GAXXAVCMDRSJAQ-JTQLQIEISA-N 304.437 1.713 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C(N)=O 78904161 MXWDBCKFVOUYIL-GHMZBOCLSA-N 300.355 1.066 0 40 DDAB CC(C)(C)NC(=O)CSc1nnnn1-c1ccc(F)cc1 2504074 LQGYQYOVOIJBIE-UHFFFAOYSA-N 309.370 1.808 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNCc2cscn2)ncn1 72276611 ZVOQIEHYPNLQHD-GFCCVEGCSA-N 304.423 1.733 0 40 DDAB CCc1ncncc1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72231787 IIVYALFTWAEITK-LLVKDONJSA-N 301.350 1.750 0 40 DDAB CCOc1cc(C(N)=O)cc(I)c1OC 6207212 PYTZHQPIBKJCBV-UHFFFAOYSA-N 321.114 1.797 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 6326657 ICGMMOAVFRXTJO-UHFFFAOYSA-N 321.782 1.738 0 40 DDAB COc1cc(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 6418728 BCACEMRWHZGUBV-UHFFFAOYSA-N 318.329 1.446 0 40 DDAB Cc1nc2n(c1C)CCN(CC(=O)N1CCc3ccccc3C1)C2 97201368 KJPNKZOPANMOLI-UHFFFAOYSA-N 324.428 1.900 0 40 DDAB C[C@@H](NC(=O)N1CCOCC1)c1ccc2c(c1)OCCCO2 42310677 YTJKHCFASABFCS-GFCCVEGCSA-N 306.362 1.951 0 40 DDAB FC(F)(F)c1cc(NC[C@@H]2CCCOC2)n2ncnc2n1 54124743 LDNNDNLEPBNPRJ-QMMMGPOBSA-N 301.272 1.982 0 40 DDAB CC(C)=CCC[C@@H](C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100641420 AYRGGDSIYYYSRA-MPZWGZMNSA-N 305.374 1.988 0 40 DDAB CS(=O)(=O)N1CCC[C@@]2(C[C@@H](Nc3nccs3)CO2)C1 107787756 LAYQWRQDIODHHC-ZYHUDNBSSA-N 317.436 1.138 0 40 DDAB CCOc1ccc(S(=O)(=O)NCCCOC)cc1OCC 8492308 SVJBGVOJNARKOC-UHFFFAOYSA-N 317.407 1.799 0 40 DDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC[C@@H]1CCOC1 42725527 KLIIONQFIGYITA-LBPRGKRZSA-N 319.357 1.573 0 40 DDAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1cccnc1 8883070 RNWVKBBBPIIZOF-UHFFFAOYSA-N 303.391 1.592 0 40 DDAB CCN(CC)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 24762015 NRJNLIUMYLYDIC-CYBMUJFWSA-N 306.341 1.114 0 40 DDAB Cc1nn(CC(=O)NCc2cccnc2)c(C)c1Br 27981704 WNEZKVOLISJQFG-UHFFFAOYSA-N 323.194 1.974 0 40 DDAB Cn1c(=O)c2ccccc2n2c(SCc3ncno3)nnc12 12545474 NUYSMUALRNOAKS-UHFFFAOYSA-N 314.330 1.257 0 40 DDAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2cccs2)c1 25238676 PYUSLOTUKDPOHS-UHFFFAOYSA-N 324.427 1.979 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(F)(F)F 9995245 ZOEZPEFDSQCFAO-MRVPVSSYSA-N 304.268 1.531 0 40 DDAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H](O)C1 26240471 CIOQQZOXQRAQHC-AWEZNQCLSA-N 311.385 1.958 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1 44332769 YJILHYBKCISNFS-WDEREUQCSA-N 300.362 1.609 0 40 DDAB COc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCNC2)c(C)c1 44502410 OLZCKAAGYSWWOT-CYBMUJFWSA-N 312.435 1.590 0 40 DDAB CCN(CC)c1ccc(NC(=O)c2ccn(C)c(=O)c2)cn1 44639357 PUFSJFHLSKVYHK-UHFFFAOYSA-N 300.362 1.879 0 40 DDAB CC(=O)NCCNC(=O)c1nn(-c2ccccc2)c2c1CCC2 27671911 JMKHXTICKIOYMF-UHFFFAOYSA-N 312.373 1.227 0 40 DDAB COC(=O)c1ccc(N2CCN(c3ncccn3)[C@@H](C)C2)cc1 58217188 YQRNTRKBTUNHMJ-ZDUSSCGKSA-N 312.373 1.978 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)Cn1cnc2ncccc2c1=O 58278564 COUHQCZHWPJQFW-CYBMUJFWSA-N 322.368 1.977 0 40 DDAB CCOCCOC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 58265294 JKNXZKPQMXQCTD-CQSZACIVSA-N 320.389 1.582 0 40 DDAB Cn1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc2ccccc21 58333249 QRPNUWTXIFGSDM-HUUCEWRRSA-N 313.401 1.771 0 40 DDAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)[nH]1 36660239 FHCSYCLWOYIUSP-UHFFFAOYSA-N 318.354 1.659 0 40 DDAB Cn1ccnc1[C@H](NC(=O)c1cnccn1)c1cccc(F)c1 29081316 ULSVZJUZKXCZHG-CQSZACIVSA-N 311.320 1.869 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccccc2Cl)CC1)n1cncn1 29820934 HKKXMFZVUQVWGG-GFCCVEGCSA-N 319.796 1.841 0 40 DDAB CN1[C@H](Cc2ccncc2)[C@H](O)c2ccccc2S1(=O)=O 8993443 BWWNEDNLPBXBGS-UKRRQHHQSA-N 304.371 1.360 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 71285430 JRCJVBNVDJJRAY-STQMWFEESA-N 316.357 1.874 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(CC(F)(F)F)CC1 65406116 HYLZFSWLRFIXCS-UHFFFAOYSA-N 309.376 1.719 0 40 DDAB CCNC(=O)c1cccc(NC(=O)COc2cc(C)on2)c1 14201274 BUIMRVVXWKSKRJ-UHFFFAOYSA-N 303.318 1.750 0 40 DDAB O=C1NCCN(C(=O)c2cc[nH]n2)[C@@H]1c1ccccc1Cl 96010172 XRTKTSZVFMKHGY-GFCCVEGCSA-N 304.737 1.376 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N)n1 6656144 CWIQGVPRZSGKJY-UHFFFAOYSA-N 321.362 1.294 0 40 DDAB CC(C)CCN1CCC(CNC(=O)N2CCC[C@H]2CO)CC1 80218291 QIFVAKMLTQATCF-INIZCTEOSA-N 311.470 1.911 0 40 DDAB CSc1nnc(NC(=O)CSc2nccn2C)s1 7344261 WFRXBWOWSCCCLO-UHFFFAOYSA-N 301.422 1.724 0 40 DDAB Cc1ccc(NC(=O)CN(C)Cc2cnccc2N(C)C)nc1 97138967 HPMOPDLMFBBWDE-UHFFFAOYSA-N 313.405 1.922 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)c1 69454622 QVYPLJPKLAVSFB-CYBMUJFWSA-N 314.393 1.525 0 40 DDAB CN1CCN(CCCCNC(=O)c2cc(Cl)ccn2)CC1 69418905 HFCRBCBJKVZWBD-UHFFFAOYSA-N 310.829 1.492 0 40 DDAB Cc1cnc(S(=O)(=O)Cc2ccn(-c3ccccc3)n2)nc1 91575122 ZHKXJJNCDFXKCE-UHFFFAOYSA-N 314.370 1.945 0 40 DDAB CC(=O)N1CCC[C@H]1c1ccnc(-c2ccc(C(N)=O)cc2)n1 72379411 BCYJFIBNUIXUSV-HNNXBMFYSA-N 310.357 1.926 0 40 DDAB O=C(c1cscn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863778 LJIMVHPDEMRQJB-OAHLLOKOSA-N 317.414 1.635 0 40 DDAB O[C@H](COCc1cccs1)CN1CCC[C@@H]1Cn1cccn1 69949925 YKAGEHJEECGGRX-CABCVRRESA-N 321.446 1.987 0 40 DDAB Cc1ncsc1C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 71821640 CMMGGODRESZRRR-LLVKDONJSA-N 309.435 1.777 0 40 DDAB CC(C)c1nnc(CNC[C@@H]2CCCN2c2cccnn2)o1 72279438 HPSNREPOSFFPOY-LBPRGKRZSA-N 302.382 1.742 0 40 DDAB CC(C)Nc1ncccc1C(=O)NCC(=O)NCc1ccco1 71911650 BTHPZNDVCUXZRC-UHFFFAOYSA-N 316.361 1.541 0 40 DDAB CN(C)C(=O)c1cccc(Cn2cnc3cnccc3c2=O)c1 126395023 XIHWDHVHYUVHEO-UHFFFAOYSA-N 308.341 1.542 0 40 DDAB COc1ccccc1CNC(=O)CNCCn1cc(C)cn1 72253060 YKVZIGXNXVQZCT-UHFFFAOYSA-N 302.378 1.106 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H](C)Cn1cccn1 72281262 HEBBPYYUKPMRGP-JQWIXIFHSA-N 304.398 1.239 0 40 DDAB CC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)n1 95465212 GMVSWYWFDIXRIN-DTWKUNHWSA-N 305.407 1.979 0 40 DDAB Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H](C)N1CCSCC1 95434515 FZRLRXIFBQGTGL-ZYHUDNBSSA-N 311.451 1.948 0 40 DDAB COc1cccc(-c2noc(N3CCC[C@H]3C(=O)N(C)C)n2)c1 95407727 TXADOVJYKHZUIF-ZDUSSCGKSA-N 316.361 1.802 0 40 DDAB CN([C@@H]1CCCN(Cc2ccc(F)cc2F)C1)S(C)(=O)=O 84863902 UGFYCNIVLOOSDN-CYBMUJFWSA-N 318.389 1.821 0 40 DDAB COC(=O)C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C1CC1 84823231 CHDQZYDGIOXKSE-OAHLLOKOSA-N 313.357 1.944 0 40 DDAB NC(=O)C1(NC(=O)c2ccc3c(c2)OCCO3)CCCCC1 73530366 GGWFCLLSITWETL-UHFFFAOYSA-N 304.346 1.376 0 40 DDAB Cn1cc(C(N)=O)c(NCc2nc(-c3cccs3)no2)n1 95984799 ZKTKSCZCAZXIEC-UHFFFAOYSA-N 304.335 1.243 0 40 DDAB COCc1csc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)n1 95975264 GNWMFEREIGVYHP-VIFPVBQESA-N 307.379 1.692 0 40 DDAB CC[C@@H](Sc1ccccc1)C(=O)N1CCO[C@H](C(N)=O)C1 95957361 FVASFKBYMYDFIO-QWHCGFSZSA-N 308.403 1.270 0 40 DDAB Cc1ccc2cc(C(=O)N(C)CCS(C)(=O)=O)ccc2n1 95972312 BVGWYPJDZPZLGX-UHFFFAOYSA-N 306.387 1.660 0 40 DDAB CN(C)c1nccc(N(C)C2CCN(C[C@@H]3CCOC3)CC2)n1 95963232 VABQPYNHJYSWQS-AWEZNQCLSA-N 319.453 1.480 0 40 DDAB Cn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1=O 95949437 WSKIABVVHFCTSD-INIZCTEOSA-N 311.385 1.390 0 40 DDAB COCCCN(C)S(=O)(=O)c1ccc(Br)cn1 95961838 IMIZWPYLBMKPCR-UHFFFAOYSA-N 323.212 1.501 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@](C)(O)c1ccc(F)cc1 89228886 CQNBPAQREZZUCS-MRXNPFEDSA-N 305.353 1.814 0 40 DDAB COc1ccc(NC(=O)COCC2CC2)cc1-n1cnnn1 75146240 ABZJFNDJIHMOPT-UHFFFAOYSA-N 303.322 1.036 0 40 DDAB O=C(NCCn1cccc1)N[C@@H]1CCO[C@]2(CCSC2)C1 89878808 HORBIWJFRAGIEH-UKRRQHHQSA-N 309.435 1.842 0 40 DDAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(C)C1=O 35377354 CFKPBZZGDKYUKM-XFFZJAGNSA-N 307.327 1.905 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306134548 NRCAQRMPUISEJC-CQSZACIVSA-N 319.405 1.761 0 40 DDAB Cc1nc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)sc1C 175667303 HUJDGZMEFJCNAI-NSHDSACASA-N 303.409 1.459 0 40 DDAB COC(=O)Cn1cc(/C=C2/NC(=O)N(C)C2=O)c2ccccc21 409189825 TZXORLALIOBWQG-KPKJPENVSA-N 313.313 1.337 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccncc3)C[C@H]2N1Cc1ccccc1 67897086 VNPWLNITOOYEJQ-MSOLQXFVSA-N 323.396 1.693 0 40 DDAB biogenic,in-vitro CC1=C(C(=O)OC(C)C)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 194966 CFICVVRLSTXIIU-CQSZACIVSA-N 318.329 1.995 0 40 DDAB biogenic Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ncc[nH]2)n1 35426065 SOBAMWGGNDVGPF-JTQLQIEISA-N 312.337 1.169 0 40 DDAB biogenic,in-vitro CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 39918300 XWCYIMMELSOAGH-CYBMUJFWSA-N 321.396 1.637 0 40 DDAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1nnc[nH]1 72414437 PAUKMJXXSXTIJY-UHFFFAOYSA-N 302.743 1.576 0 40 DDAB CCS(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 70237990 SGHRVUPIACMRJQ-UHFFFAOYSA-N 306.409 1.007 0 40 DDAB CC(C)[C@@H](C(=O)NCCS(=O)(=O)C(C)(C)C)N1CCCC1 79051808 CJZSJZNEXKNKRQ-ZDUSSCGKSA-N 318.483 1.436 0 40 DDAB CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(C)n3)C2)CC1 72386064 UKDCNGMECFDUCJ-OAHLLOKOSA-N 302.422 1.894 0 40 DDAB O=C(NS(=O)(=O)Cc1ccon1)c1cc2cccc(F)c2o1 124584165 KFELVNZGNNGEQV-UHFFFAOYSA-N 324.289 1.820 0 40 DDAB Cc1cc(=O)c2cc(Br)ccc2n1Cc1nnn[nH]1 40175611 NCSSENQOTKQOAD-UHFFFAOYSA-N 320.150 1.634 0 40 DDAB O=C(C[C@@H]1COCCN1C[C@@H](O)C(F)(F)F)c1cccs1 195572119 XLRZGAWXNAGCEQ-BXKDBHETSA-N 323.336 1.945 0 40 DDAB NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)o2)cc1 41127341 MSTIWQXEASMUIQ-UHFFFAOYSA-N 320.370 1.830 0 40 DDAB Cc1cc(NCCOCC(F)(F)F)ccc1-n1cnnn1 96427412 KLWCZIZAQHZMGE-UHFFFAOYSA-N 301.272 1.962 0 40 DDAB Cc1oncc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96065777 IPOLYLAAKKJQKH-RRFJBIMHSA-N 306.362 1.782 0 40 DDAB Cc1ccc(N2CCC[C@@H](NC(=O)c3csnn3)C2=O)cc1 96426759 FZYWUGVFQGDSJD-GFCCVEGCSA-N 316.386 1.772 0 40 DDAB COCCC(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96218267 XPSSLHIXESFWEQ-ZENOOKHLSA-N 306.362 1.255 0 40 DDAB c1ccc(CN2CCOC3(CCN([C@@H]4CCOC4)CC3)C2)nc1 96158847 YVKUVGOSQNHZPZ-QGZVFWFLSA-N 317.433 1.537 0 40 DDAB COc1ccccc1[C@H](CNC(=O)c1cccn(C)c1=O)OC 96384469 GQEDBRCXOJJGBV-HNNXBMFYSA-N 316.357 1.511 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccccn2)n[nH]1 95477931 NSSXAPXQIOVMPG-UHFFFAOYSA-N 324.388 1.795 0 40 DDAB CN(CCOC(=O)N(C)C)Cc1cc(Br)cn1C 97373628 TWTMXMBFKVEXEU-UHFFFAOYSA-N 318.215 1.918 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]12 96185399 TWIPIWRNTRTTAR-CWRNSKLLSA-N 324.446 1.274 0 40 DDAB CCCN(CC(F)F)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 245343892 WHQQKZNDKHWFHS-NXEZZACHSA-N 300.371 1.318 0 40 DDAB Cc1cn(C)c([C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 257223793 DYWVJIQHGBDSMS-NSHDSACASA-N 311.432 1.968 0 40 DDAB CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 62230404 XADPRMPQKULCSK-KRWDZBQOSA-N 317.433 1.493 0 40 DDAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC[C@H]1C(=O)O 262672450 PWLMDWZQIIVAGA-NSHDSACASA-N 318.333 1.463 0 40 DDAB Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1NS(C)(=O)=O 262171047 DIMZPQYRUJHCEP-UHFFFAOYSA-N 312.347 1.170 0 40 DDAB O=C(O)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1 261923624 JJRZANADEHCVAI-CYBMUJFWSA-N 320.345 1.399 0 40 DDAB O=C(/C=C/c1ccco1)NCc1nccc(N2CCOCC2)n1 96120879 NFRSVGKYOUVIAW-ONEGZZNKSA-N 314.345 1.236 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCC2)C1 575403165 DUGWMPHJOYGQAJ-SWHYSGLUSA-N 302.378 1.091 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2ccc(OC)cc2)Cc2ccnn21 585112777 VGZVISRZOJCBLT-OAHLLOKOSA-N 314.389 1.585 0 40 DDAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)o1 585110904 XZVZFPMUOLCFSA-AWEZNQCLSA-N 314.389 1.653 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCNc2ncccn2)n1 48235498 KLFYVGRDBFYGRJ-GFCCVEGCSA-N 316.409 1.544 0 40 DDAB C[C@H](C(=O)NCCS(=O)(=O)Cc1ccccc1)n1ccnc1 48253348 ZBWCBVALRSBUBC-CYBMUJFWSA-N 321.402 1.175 0 40 DDAB Cc1ccccc1CC(C)(C)NC(=O)[C@H]1CCS(=O)(=O)C1 76833872 OJBUQWKGZWATOY-AWEZNQCLSA-N 309.431 1.867 0 40 DDAB NS(=O)(=O)c1ccc(-c2nc3cscc3c(=O)[nH]2)cc1 97083538 FKFURJQXIDVLEC-UHFFFAOYSA-N 307.356 1.299 0 40 DDAB Cc1cc(C(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c(C)o1 1549161788 LHOCVQRVXXEIGY-UHFFFAOYSA-N 304.346 1.665 0 40 DDAB CO[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C[C@H]1CC(N)=O 1615146958 ZKQRMVVKNAUHOU-VXGBXAGGSA-N 318.364 1.551 0 40 DDAB C[C@@H](O)CNC(=O)CSc1nccc(-c2ccccc2)n1 5528887 HYSVRNGWCAKKEB-LLVKDONJSA-N 303.387 1.733 0 40 DDAB Cn1ncc2c1CCCN(C(=O)COc1ccccc1F)C2 12235255 ILQFSBUMRTZEQV-UHFFFAOYSA-N 303.337 1.913 0 40 DDAB CCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 19498866 DSWMSZIWMRNELR-HNNXBMFYSA-N 316.405 1.845 0 40 DDAB Cc1noc(C)c1CC(=O)N1CC(C(=O)N2CCCCC2)C1 19748662 REHDNTJGDCWMIZ-UHFFFAOYSA-N 305.378 1.305 0 40 DDAB O=C(COc1cccc(-n2cnnn2)c1)NCc1cccs1 5442058 WWRUJBIDWUVXAH-UHFFFAOYSA-N 315.358 1.419 0 40 DDAB O=C([C@@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCCCC1 1888834263 NMANTXOQMXRPPN-HNNXBMFYSA-N 316.405 1.572 0 40 DDAB NC(=O)c1ccccc1NC(=O)c1ccc2nc(C3CC3)cn2n1 1888975889 GUOMGGNVMRJFJQ-UHFFFAOYSA-N 321.340 1.958 0 40 DDAB COC(CNc1c(NCc2ccc(F)cc2)c(=O)c1=O)OC 1889056391 XIGMKXOSHJIBAD-UHFFFAOYSA-N 308.309 1.065 0 40 DDAB Cc1cnccc1OCC1CCN(C(=O)N2CCOCC2)CC1 1889138945 DBYVZAHMRCNSHZ-UHFFFAOYSA-N 319.405 1.933 0 40 DDAB COc1cccc(C(=O)N2CC[C@@]3(COCC(=O)N(C)C3)C2)c1 2037985392 IJLVWZCSHPIAJI-KRWDZBQOSA-N 318.373 1.016 0 40 DDAB COc1ncnc2c1CCN(C(=O)c1cc(C3CC3)on1)CC2 1565542572 BKADZZFYDBANGV-UHFFFAOYSA-N 314.345 1.592 0 40 DDAB O=C1COC2(CCN(C(=O)/C=C/c3cccs3)CC2)CN1 1565545753 NRRAFNGVLGEBHU-ONEGZZNKSA-N 306.387 1.269 0 40 DDAB Cc1cccc(F)c1C(=O)N1C[C@H]2ON=C(C(=O)N(C)C)[C@H]2C1 1565550562 DMIQSBPMMLWOLB-CMPLNLGQSA-N 319.336 1.049 0 40 DDAB COCCCN[C@H](CC(=O)Nc1ccccc1Cl)C(=O)O 4280017 UZTOUMMMAIFILR-GFCCVEGCSA-N 314.769 1.748 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055715711 DIFYQBKEVOWNMH-GFCCVEGCSA-N 304.394 1.206 0 40 DDAB COC(=O)c1cc2c(nc1C)CCN(S(=O)(=O)C1CC1)CC2 2055773040 OEVAUSGDBIZTRP-UHFFFAOYSA-N 324.402 1.069 0 40 DDAB O=C(Cc1ccsc1)NC1CCN(c2cnsn2)CC1 575617012 VBNNEHDBGOXQHH-UHFFFAOYSA-N 308.432 1.927 0 40 DDAB Cn1cc(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)nn1 225587927 SQWNGLNYRYLQAD-CQSZACIVSA-N 318.358 1.136 0 40 DDAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1C[C@@H]1CCCO1 2298042991 UOZDSKWWPIVCRC-ZDUSSCGKSA-N 306.749 1.832 0 40 DDAB Cc1ccc([C@H](CNC(=O)c2cccnc2)N2CCOCC2)o1 40477357 FDTMSYGIICCGBF-HNNXBMFYSA-N 315.373 1.786 0 40 DDAB CC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)n[nH]1 40538663 FXXDDBSXSSRYTB-UHFFFAOYSA-N 300.366 1.286 0 40 DDAB Cc1cc(C(=O)COc2ccc(S(N)(=O)=O)cc2)c(C)[nH]1 40512954 CHXRUJKAXOWHCY-UHFFFAOYSA-N 308.359 1.541 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1ccccn1 32123983 QAXQJGIKZBICHL-AWEZNQCLSA-N 324.340 1.488 0 40 DDAB biogenic O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccoc2)CC1 32765530 TVWPDDNAFYKIRQ-AWEZNQCLSA-N 306.362 1.427 0 40 DDAB CC(C)C(=O)NCCNc1cc(-c2ccccc2)nc2ncnn12 60656625 AMTLRHWEWCUUET-UHFFFAOYSA-N 324.388 1.975 0 40 DDAB COc1ncccc1CNC1=NS(=O)(=O)c2ccccc21 37396850 FQYPHVDFRVSPNX-UHFFFAOYSA-N 303.343 1.329 0 40 DDAB CCOc1nnc(CN2CCc3ncnc(N(C)C)c3C2)s1 97201970 MYFLABCONSHCCS-UHFFFAOYSA-N 320.422 1.351 0 40 DDAB COc1ccc(C(=O)NCCC(=O)O)cc1Br 37415596 QQTLIHUHLCMOMN-UHFFFAOYSA-N 302.124 1.662 0 40 DDAB in-vitro NC(=O)NCCNc1ccccc1S(=O)(=O)C(F)(F)F 78798692 GATGCXOWBSAVTQ-UHFFFAOYSA-N 311.285 1.060 0 40 DDAB O=C(NCCCNc1ncnc2[nH]cnc12)c1cccc(O)c1 78727549 LUBLMXKZEJOTDD-UHFFFAOYSA-N 312.333 1.291 0 40 DDAB CN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCS(=O)(=O)C1 78909009 LUCJLJFDXQTXRJ-CYBMUJFWSA-N 319.382 1.805 0 40 DDAB Cc1nc(N2CCN(CCCO)CC2)nc(C)c1CC(C)C 79026490 GZJDCGFDRFGZAY-UHFFFAOYSA-N 306.454 1.796 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@@H]13)O2 2552557 MWORSPXVTCBYLG-OHTBPHCPSA-N 305.717 1.711 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69741381 MOYMQNDMLJAZGX-AWEZNQCLSA-N 317.393 1.242 0 40 DDAB CC(C)NC(=O)NC(=O)CSc1nncn1-c1ccccc1 3545824 GANIPSHTYKCGAC-UHFFFAOYSA-N 319.390 1.594 0 40 DDAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)cc(OC)c1O 12418379 SUJLJFUWJMDIAB-SSDOTTSWSA-N 321.358 1.922 0 40 DDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1csc(C(=O)NC(C)C)c1 6680438 NSPOOBLJAFLLLG-UHFFFAOYSA-N 304.437 1.917 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6741997 CLIWOKSOYWCYRK-RQJABVFESA-N 305.330 1.820 0 40 DDAB NC(=O)CN1CCC(Nc2ncnc3cccc(F)c23)CC1 54056137 KYDOZAMJZBUEOF-UHFFFAOYSA-N 303.341 1.131 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1C(=O)OC 7756093 UHJPPPAWCQSXON-LBPRGKRZSA-N 320.370 1.439 0 40 DDAB Cc1cc(S(=O)(=O)NCCC[n+]2cc[nH]c2)c(C)c(C)c1C 101370750 CJKHMRFVFLHGHN-UHFFFAOYSA-O 322.454 1.904 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cnc(C)cn3)CC2)c1 104515517 VYNZFOPOXOMBEB-UHFFFAOYSA-N 313.361 1.151 0 40 DDAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c(C)[nH]1 23436362 HMFAMDXUIVTCGI-AWEZNQCLSA-N 307.375 1.242 0 40 DDAB COC(=O)c1cn(CN2CCC[C@H]2Cc2cccc(F)c2)nn1 54546883 GOSYXYAXMAMPOT-AWEZNQCLSA-N 318.352 1.868 0 40 DDAB C[C@H](NC(=O)NC[C@H](C)[S@](C)=O)[C@@H]1COc2ccccc21 95437762 PFCDMGFDLKBOAJ-UIHIUVJISA-N 310.419 1.617 0 40 DDAB CC(C)C[C@@H](CNC(=O)Nc1nncs1)N1CCOCC1 43137034 JWLURYDOXYJKFW-NSHDSACASA-N 313.427 1.407 0 40 DDAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)o1 25289633 CSFYSMMSTZWTAF-UHFFFAOYSA-N 301.346 1.750 0 40 DDAB Cc1cnc(C(=O)N2CCCN(c3nc(C)cs3)CC2)cn1 55758996 UEOCDODYTBPVID-UHFFFAOYSA-N 317.418 1.902 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)o1 43723296 XGIAIFJXILWNGE-CYBMUJFWSA-N 315.377 1.971 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 43700318 JDSNXZIRLWJUCF-JTQLQIEISA-N 303.236 1.631 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccnc(C(=O)O)c2)CC1 56894669 GKPMJWWIACFBOT-UHFFFAOYSA-N 307.350 1.837 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC=CC[C@H]1C(=O)O 12649750 CRHBLLDNNBKIOW-QWHCGFSZSA-N 305.378 1.662 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CN(C)CCO1 107512000 PKUOXMKZASKTMI-XJKSGUPXSA-N 303.406 1.184 0 40 DDAB CS[C@H](C)C(=O)NCc1ccccc1CN1CCN(C)CC1 48227565 RQGSXBFNQPLDRR-CQSZACIVSA-N 321.490 1.802 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 57727868 VLPVXCMDLPALII-VXGBXAGGSA-N 309.410 1.602 0 40 DDAB C[C@H]1CCCN(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 44534072 RBQBFHCSJOQVAB-AWEZNQCLSA-N 324.469 1.228 0 40 DDAB COCC(=O)N[C@H](C(=O)N1CC[C@@H](c2ccco2)C1)C(C)C 95400550 NLHUHERPKDVCFS-DOMZBBRYSA-N 308.378 1.383 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCOc2ccccc21 58105101 MOLOCNZYTFCROO-LLVKDONJSA-N 300.314 1.824 0 40 DDAB C[C@]1(NC(=O)CCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 44867719 UFKJVQLHWYGOBH-INIZCTEOSA-N 320.414 1.794 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCN(C[C@H]2CC2(Cl)Cl)CC1 44895194 PKULGQVJWYXYOW-GHMZBOCLSA-N 320.264 1.465 0 40 DDAB O=C(NCc1nnc2ccccn12)c1ccnc(-n2ccnc2)c1 48314245 FAQKQALZBSRNAK-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB COCCOCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 48333815 UASIWNTVEIWKGI-ZDUSSCGKSA-N 318.377 1.450 0 40 DDAB COc1ccc(C(=O)CN2CCC(C(N)=O)CC2)cc1OC 58486293 CQDVYEXCNITBPE-UHFFFAOYSA-N 306.362 1.084 0 40 DDAB CC(C)CCO[C@H](C)C(=O)NCCN1C[C@H](C)O[C@H](C)C1 58430733 BBIWAFLLKLDPAX-QLFBSQMISA-N 300.443 1.663 0 40 DDAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(C)C)c2c(C)noc2n1 28478150 KPOXXNOMUOQJFA-SNVBAGLBSA-N 305.334 1.910 0 40 DDAB CS(=O)(=O)CCSc1nnc(NC[C@H]2CCCO2)s1 49001992 VMMTXTGKWNAKSQ-MRVPVSSYSA-N 323.465 1.266 0 40 DDAB C[C@@H](CNC(=O)NCc1ccccc1Cn1cncn1)N(C)C 65440779 ARYCWHVQHPPRTA-ZDUSSCGKSA-N 316.409 1.076 0 40 DDAB COc1ccc(NCC(=O)N2N=C(C)C[C@]2(O)C(F)F)cc1 6388438 DWBQJJGWNSZMTP-AWEZNQCLSA-N 313.304 1.669 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2sccc2C)NC(=O)NC1 14022063 MLQKKVJTZPAMFX-UHFFFAOYSA-N 324.358 1.343 0 40 DDAB COC(=O)c1ccc(Cn2nc(-c3ccco3)ccc2=O)o1 5387889 ZUUBLWSSSRSWAK-UHFFFAOYSA-N 300.270 1.931 0 40 DDAB O=C(COc1ccc(-c2nnco2)cc1)NCC(F)(F)F 6495494 LOOWVFXPDBKZOT-UHFFFAOYSA-N 301.224 1.794 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71283918 YIWQSSJMMPKSQF-MNOVXSKESA-N 307.302 1.689 0 40 DDAB O=C1CN(C(=O)c2ccc(OCc3ccccc3)cc2)CCN1 6787868 ZBNUIHPYKPFGCF-UHFFFAOYSA-N 310.353 1.838 0 40 DDAB Cc1cc(C)n(CCCNC(=O)Nc2ccc3nn[nH]c3c2)n1 95434491 NJCSNQGBMICRJH-UHFFFAOYSA-N 313.365 1.983 0 40 DDAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)n1 7371340 VMINWXWMLWDTOA-JTQLQIEISA-N 320.422 1.837 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)N1CCCC1 96459036 BAMXEOBRDMKBMX-ZDUSSCGKSA-N 309.435 1.668 0 40 DDAB CC(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556164 ZANCXJQGQKLGOO-UHFFFAOYSA-N 314.345 1.070 0 40 DDAB O=C(NCc1nc(C(=O)O)cs1)c1ccc2c(c1)CCO2 90932437 ZOUVFCVSGUXZIO-UHFFFAOYSA-N 304.327 1.706 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)Nc1nccs1 7918974 TYDVRBWYQBNPPY-UHFFFAOYSA-N 303.343 1.897 0 40 DDAB COCCNC(=O)COC(=O)c1c[nH]nc1-c1ccc(F)cc1 9338177 ZQDIULUJYJARGV-UHFFFAOYSA-N 321.308 1.135 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nccs1)C2=O 8131223 CWKHFUYATDIXAB-LKFCYVNXSA-N 322.390 1.582 0 40 DDAB O=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)CCC2 8378265 UCCSJUDRKLSICK-UHFFFAOYSA-N 302.374 1.753 0 40 DDAB O=C(Nc1ccc[nH]c1=O)[C@@H]1CSCN1C(=O)C1CCCC1 69591685 MLSKOHKORCIXGW-LBPRGKRZSA-N 321.402 1.405 0 40 DDAB Cc1noc(CCNC(=O)NCCO[C@H]2CCCC[C@@H]2C)n1 69570757 NYKTWBFULVQFKY-AAEUAGOBSA-N 310.398 1.815 0 40 DDAB O=C(Cn1cccn1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91765677 STYQWQNILRYOSI-RISCZKNCSA-N 307.300 1.496 0 40 DDAB CCCOc1ccc(OCC(=O)NCCC[S@@](C)=O)cc1 69666749 RZRBGVUYWUPEDE-NRFANRHFSA-N 313.419 1.739 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CCN(c2ncccn2)CC1 9550041 UDXRUISIQAIIHC-UHFFFAOYSA-N 320.356 1.382 0 40 DDAB Cc1nn(CCO)c(C)c1CNCc1cccnc1N(C)C 71825219 YWDRCUGNWMDQLH-UHFFFAOYSA-N 303.410 1.243 0 40 DDAB CCCn1nnnc1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 71890254 OMBUJXRTHASHQV-LBPRGKRZSA-N 324.429 1.524 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC(n2cccn2)C1 71879076 DVVWVUYMXMXCDO-LBPRGKRZSA-N 302.382 1.117 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C1 71870631 FBTDEFSEHUHKMW-IMJJTQAJSA-N 321.421 1.939 0 40 DDAB O=C1CN(C(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)CCN1 71856401 JEDKAMCHKZYBQC-MRXNPFEDSA-N 321.808 1.339 0 40 DDAB CCc1cnc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)o1 83827867 GBVTVEVRGZWALD-AWEZNQCLSA-N 317.393 1.364 0 40 DDAB COc1ncccc1CN1CCC[C@H](C(=O)NCC2CC2)C1 176457054 JNZOVEGOSWDDFJ-AWEZNQCLSA-N 303.406 1.828 0 40 DDAB Cc1nn(C(C)(C)C)c(=O)n1CCn1c(=O)oc2cccnc21 97085535 KHSQJMMUCUYUIY-UHFFFAOYSA-N 317.349 1.111 0 40 DDAB C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72287440 CXCGXGSEYAFRCS-OLZOCXBDSA-N 300.362 1.978 0 40 DDAB CC1CCN(C[C@H](O)CNC(=O)Cc2ccccc2O)CC1 72286649 AXLIHSYEZHYYKK-OAHLLOKOSA-N 306.406 1.144 0 40 DDAB Cc1csc(NC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)n1 95943941 APZJAPGPAQEHEM-CYBMUJFWSA-N 315.395 1.666 0 40 DDAB COc1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1OC 23640287 DTQROVZPAHTQOW-UHFFFAOYSA-N 322.405 1.544 0 40 DDAB CC(C)(C)n1nnnc1CN1CCN(Cc2ccccc2)CC1 35310873 XWQSIRQBXILEJX-UHFFFAOYSA-N 314.437 1.746 0 40 DDAB CN(C)[C@@H](CNc1cc(N2CCCC2)ncn1)c1cnn(C)c1 302873438 CRGMBYRBUJJBHA-AWEZNQCLSA-N 315.425 1.525 0 40 DDAB NS(=O)(=O)c1cc([C@H]2NC(=O)c3ccccc32)ccc1Cl 39316656 NPCMXXHTULKTQS-CYBMUJFWSA-N 322.773 1.820 0 40 DDAB in-vitro C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 33734746 YGYKXZNSRZBOKB-GFCCVEGCSA-N 319.386 1.065 0 40 DDAB Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)c1c([nH]c(=O)[nH]c1=O)N2 31809911 QXQDKQKUKMJEGH-JTQLQIEISA-N 313.292 1.471 0 40 DDAB Cc1cnn(Cc2ccc(NC(=O)c3nccnc3N)cc2)c1 78776160 MAUAHATWJAVUND-UHFFFAOYSA-N 308.345 1.864 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)Cn1ncc2ncccc2c1=O 77416651 DLFKLQMMJMRGPL-HNNXBMFYSA-N 324.384 1.284 0 40 DDAB CC(C)[C@H](N)C(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)C1 79413138 GWTVYWBLQDSLGZ-CABCVRRESA-N 319.405 1.497 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1 190091208 SEIRROIKJQDMQY-SMDDNHRTSA-N 321.808 1.974 0 40 DDAB O=C(NCc1ccncc1)c1cccc(CN2CCOCC2)c1 44903466 QGVCPWRIBKZPNW-UHFFFAOYSA-N 311.385 1.844 0 40 DDAB CC(C)(O)C(=O)NCCCN1CCN(c2ccccc2F)CC1 225432519 PKAAHKLUBPFCPD-UHFFFAOYSA-N 323.412 1.225 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 225438976 ZNXNMAFYZALJAV-LBPRGKRZSA-N 319.386 1.769 0 40 DDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1n[nH]c2c1CCC2 85877844 IYOACTFZIFFILK-SWLSCSKDSA-N 302.422 1.893 0 40 DDAB biogenic NC[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 332098183 CJZDUGYIBVDDER-JSGCOSHPSA-N 321.400 1.180 0 40 DDAB COCC(=O)N1CCN(Cc2cc3cc(F)ccc3o2)CC1 96489632 IKORTJSKCWNCIS-UHFFFAOYSA-N 306.337 1.863 0 40 DDAB CN(C)C[C@@H]1CO[C@@]2(COCCN(Cc3ccccn3)C2)C1 96051946 HSJPIXOFMDWNDM-WBVHZDCISA-N 305.422 1.251 0 40 DDAB O=C(NCCCN1CCOCC1)c1n[nH]c2c1CCCCC2 96230986 MUSJKMIWVWLZNC-UHFFFAOYSA-N 306.410 1.131 0 40 DDAB O=C(CN1CC[C@H](Oc2ccncc2)C1)Nc1nccs1 96482641 MRCGFBYHAJDGKX-LBPRGKRZSA-N 304.375 1.630 0 40 DDAB CC(C)c1ncc(C(=O)N2CCC[C@H](c3nnn[nH]3)C2)s1 96485686 IJTJOMHHUXFHHJ-VIFPVBQESA-N 306.395 1.799 0 40 DDAB CO[C@H]1COC2(CCN(C(=O)COc3ccccc3)CC2)C1 96110805 LEYBADHAAHKVSS-OAHLLOKOSA-N 305.374 1.862 0 40 DDAB O=C1[C@H]2CN(Cc3ccncc3)C[C@@H]2CCN1Cc1cccnc1 96054640 WKRKTJUEIBLVPN-ROUUACIJSA-N 322.412 1.957 0 40 DDAB CN(C)C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159774 DSZMOQJLVFELRX-QGZVFWFLSA-N 319.380 1.932 0 40 DDAB C1CN(C2CCOCC2)Cc2c(COCC3CC3)nnn2C1 96084376 DTPHCZFZQZVMBU-UHFFFAOYSA-N 306.410 1.589 0 40 DDAB COCC(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224454 ISJTZKIWYNVHMW-KRWDZBQOSA-N 317.389 1.069 0 40 DDAB Cc1ccsc1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414046 XGUOTUNHOLVHAU-QMMMGPOBSA-N 306.309 1.950 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3occc3C)[C@@H]2C1 96217970 RYYRKSBUHPWIEN-ZNMIVQPWSA-N 322.405 1.396 0 40 DDAB CC(C)N1C[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2C1 96216760 XRVQYGPHCNBXDS-HRCADAONSA-N 303.406 1.586 0 40 DDAB CN[C@H]1CCN(C)C[C@@H]1Cc1ccc(OC)c(OC)c1OC 242495895 GRTFZUQMANCAGR-KBPBESRZSA-N 308.422 1.795 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242548244 LEYJJZMAQJTMIF-WZRBSPASSA-N 317.794 1.111 0 40 DDAB Cc1ccc(-n2nc(C(=O)O)c(N3CCOCC3)n2)c(C)c1 256046916 IZGRRJZQHOONAX-UHFFFAOYSA-N 302.334 1.419 0 40 DDAB c1cc2n(n1)C[C@@H](CN1CCCCC1)CN(C1CCOCC1)C2 253604284 XWOICDOEGFLWKG-INIZCTEOSA-N 318.465 1.980 0 40 DDAB O=C(NC[C@H]1OCCc2sccc21)N[C@H]1C[C@H]2CC[C@H]1O2 252485845 BAJZCCMFTQRFRA-GWNIPJSYSA-N 308.403 1.981 0 40 DDAB CNc1cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1 257236356 HBTXKLFYLNOGEF-CQSZACIVSA-N 324.450 1.643 0 40 DDAB CC(C)C(=O)Nc1cccc(CNC(=O)Cn2cccn2)c1 24868889 XWBKXXMWDCFLDI-UHFFFAOYSA-N 300.362 1.794 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257300163 RTECHNQNIZWHGR-BBRMVZONSA-N 301.346 1.319 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC[C@](O)(CN2CCCC2)C1 257248676 JESUSJJBFUBNJH-HNNXBMFYSA-N 316.467 1.182 0 40 DDAB COc1ccc(/C=C\C(=O)O[C@H](CC(=O)O)C(=O)O)cc1OC 299888344 FZQDBBBREHNBJN-TXNVCOODSA-N 324.285 1.188 0 40 DDAB O[C@@]1(COc2cc(F)cc(F)c2)COCCN(C2CCC2)C1 585283731 UCZCJELLRINRLI-MRXNPFEDSA-N 313.344 1.959 0 40 DDAB CN1C[C@@H](CO)CC12CN(C(=O)c1ccc3ccccc3c1)C2 585093950 RSPHFJHOGQVULN-AWEZNQCLSA-N 310.397 1.978 0 40 DDAB CC(C)N1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 585111747 AHRHJWVBLQNQAL-ZDUSSCGKSA-N 312.439 1.120 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc2c(c1)OCCO2 64431456 GGENLOOBPUENHP-INIZCTEOSA-N 324.380 1.870 0 40 DDAB O=C(NC[C@H](O)CN1CCCC1=O)c1cc(F)cc2ccoc12 1548453511 BOQPNOSSWUNDHK-LBPRGKRZSA-N 320.320 1.285 0 40 DDAB Cc1cc(OCC2CCN(c3nccn(C)c3=O)CC2)ncn1 1565520748 LXGRUUOAAIVOKW-UHFFFAOYSA-N 315.377 1.174 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCCc1n[nH]c(=O)[nH]1 75093031 KJPWGRDYADKFJL-STQMWFEESA-N 300.362 1.259 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(=O)[nH]c2ccc(F)cc12 77160996 RJCXPEGJXBHJKB-BONVTDFDSA-N 318.348 1.948 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccon1 97237835 XZAWOOPGFPZMNR-AWEZNQCLSA-N 301.346 1.171 0 40 DDAB C[C@H](O)CN[C@@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 5258071 PDSSVCSVMJQBQL-NHYWBVRUSA-N 316.357 1.592 0 40 DDAB COc1ccccc1CCCNC(=O)c1cnc(N(C)C)nc1 12191922 UQRIBIXLPNKCPI-UHFFFAOYSA-N 314.389 1.914 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)c(OC)c1 12323236 RKZHJFNNMINYNU-NSHDSACASA-N 302.290 1.279 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCCc2cccnc2)c1 12537539 LQGJTXXHDVUGTC-UHFFFAOYSA-N 320.370 1.389 0 40 DDAB Cc1cc(C[C@@H](C)NC(=O)Nc2c(C)ccn(C)c2=O)n[nH]1 162100775 KYKXWDXCOXRFMA-SNVBAGLBSA-N 303.366 1.478 0 40 DDAB CCOc1ccc(CC(=O)N(CC(=O)O)C2CCOCC2)cc1 531747772 UCJOPUXMFSJZQN-UHFFFAOYSA-N 321.373 1.720 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(N(C)C)cc1 238952946 XIFTUVUZBOCJHI-OAHLLOKOSA-N 301.394 1.799 0 40 DDAB Cc1noc(C)c1C(=O)OCC(=O)NCCc1ccccc1 5198296 RSCBOUVHHVCPSS-UHFFFAOYSA-N 302.330 1.807 0 40 DDAB Cc1ccc(-n2ccn(C[C@H]3CCCOC3)c(=O)c2=O)cc1F 1888867127 WACBUPQWBRXGRQ-CYBMUJFWSA-N 318.348 1.873 0 40 DDAB Cc1cc(N2CCN(c3ncnc4cnccc34)CC2)ncn1 1889139108 PXPVZGDTFHKUCJ-UHFFFAOYSA-N 307.361 1.450 0 40 DDAB COc1ccnc(NCc2ccccc2CN2CCOCC2)n1 15116854 OPYFJNVTOPWRFU-UHFFFAOYSA-N 314.389 1.930 0 40 DDAB COc1ccc2[nH]c(CN3CCO[C@](C)(C(N)=O)C3)cc2c1 1848352382 DAVMYRWFUBKZII-INIZCTEOSA-N 303.362 1.253 0 40 DDAB COc1ccc2cc(CN[C@@H](C)P(=O)(O)O)c(O)nc2c1 2037834794 PRKPGSZOBURVJV-MRVPVSSYSA-N 312.262 1.562 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1ccco1 10331006 ZKGHGKSJGKVTMK-GFCCVEGCSA-N 321.402 1.376 0 40 DDAB COC(=O)c1ccccc1C(=O)Nc1nnc2n1CCCS2 16942439 RXFDTAPJKWPKDW-UHFFFAOYSA-N 318.358 1.813 0 40 DDAB CCCS(=O)(=O)N1CCN(CC(=O)c2cccs2)CC1 38671234 NNUUCSSDNJGFGO-UHFFFAOYSA-N 316.448 1.288 0 40 DDAB Cn1c(-c2nc(C(=O)NCC(N)=O)cs2)cc2ccccc21 38910455 KBVHVBOAHXUSNO-UHFFFAOYSA-N 314.370 1.517 0 40 DDAB CNc1snc(C)c1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 32850728 JHQJPYHOUAQUOW-UHFFFAOYSA-N 316.342 1.629 0 40 DDAB COc1ccc2c(c1)N=C1[C@@H](CC(=O)N1CCN(C)C)S2 20032077 FIPJYCSLXSWRIM-CYBMUJFWSA-N 305.403 1.993 0 40 DDAB O=C(CSc1nnnn1C1CC1)NCCc1ccc(F)cc1 40468489 VMYDXSCLRPWYLC-UHFFFAOYSA-N 321.381 1.598 0 40 DDAB Cc1cc(CN(C)Cc2cc(=O)n3c(C)csc3n2)no1 31656179 BVQDPSKOJLSJOY-UHFFFAOYSA-N 304.375 1.993 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)Nc1nccs1 40505082 WFHDFRPLGLNGDD-UHFFFAOYSA-N 314.164 1.706 0 40 DDAB Cn1nc(C(=O)Nc2ccccn2)cc1C(=O)Nc1ccccn1 20617466 DYKBOPZWXCLDAX-UHFFFAOYSA-N 322.328 1.715 0 40 DDAB Cc1cccc(C2(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1 53009481 BRXAFLISFCFCJT-ZDUSSCGKSA-N 307.415 1.578 0 40 DDAB C[C@H]1C[C@H](OC(=O)c2cncc(Br)c2)C(=O)O1 60878914 DZSUTQVUIYBJSN-RCOVLWMOSA-N 300.108 1.705 0 40 DDAB CC(C)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl 2765404 GSXOBDFQQQZTOG-UHFFFAOYSA-N 301.614 1.976 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(C)cc2)n1 568950 IQOCKYGDZRKMCC-UHFFFAOYSA-N 304.379 1.518 0 40 DDAB COC(=O)c1csc(N2N=C(C)C[C@]2(O)C(F)(F)F)n1 1415169 OKAUCLNGUNYIJS-VIFPVBQESA-N 309.269 1.767 0 40 DDAB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1C1CC1 78387636 CJJLZKSPIGNKQU-HNNXBMFYSA-N 310.419 1.747 0 40 DDAB CC(C)[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)O 78824835 FSZVRAXHRINVEE-GFCCVEGCSA-N 323.374 1.956 0 40 DDAB Nc1ccc(Cn2cncn2)cc1I 2513726 MZMFYNKMWSQZGJ-UHFFFAOYSA-N 300.103 1.513 0 40 DDAB in-vitro O=C(NCc1nnc2n1CCC2)c1cc(-c2cccs2)on1 42648748 MJERRYSNRYOXBV-UHFFFAOYSA-N 315.358 1.871 0 40 DDAB CC[C@H](C(=O)NCCCN1CCN(C)CC1)c1ccccc1 54534475 FWHJJPGYIZQQJI-KRWDZBQOSA-N 303.450 1.934 0 40 DDAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCN1CCOCC1 8041075 ZOKXUVARCGJVOU-INIZCTEOSA-N 306.406 1.601 0 40 DDAB Cc1cc(C)c2nnc(SCC(=O)Nc3nccs3)n2n1 1432472 LJGKBTWCEGYBFN-UHFFFAOYSA-N 320.403 1.928 0 40 DDAB COc1ccc2cc(C(=O)N[C@@H]3C[C@H](O)[C@H](CO)C3)[nH]c2c1 107287396 XICDKRNFKQVDSP-PGUXBMHVSA-N 304.346 1.038 0 40 DDAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCOCC1 20038552 UCZLDPVKHOVDEG-MRXNPFEDSA-N 320.433 1.991 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccs1 12590733 KPINENMHBDBHJW-STQMWFEESA-N 320.414 1.930 0 40 DDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ccno1)CC2 108530639 WRZSGZQZBTZUSD-UHFFFAOYSA-N 321.377 1.166 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1ccc(F)cc1 27465771 SIQXXFYLFWCYIX-UHFFFAOYSA-N 315.304 1.936 0 40 DDAB C[C@H](NC(=O)c1nccnc1N)c1ccc(-n2ccnc2)cc1 12630004 BPKGRUXKMMJGFE-NSHDSACASA-N 308.345 1.736 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 44889366 BOPWZYQOQNJIMU-NQBHXWOUSA-N 311.403 1.639 0 40 DDAB O=C(Nc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 44872103 FSWALOVYKALFRD-QMMMGPOBSA-N 318.192 1.822 0 40 DDAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCS(=O)(=O)C1 44894798 CUDXBQGYFGPPPH-SECBINFHSA-N 314.432 1.785 0 40 DDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cccc(F)c2)C1 58210214 IPIAVOLVKMMQBY-LBPRGKRZSA-N 315.370 1.371 0 40 DDAB CCCCNC(=O)CS(=O)(=O)c1ccc2c(c1)OCCO2 44947895 KNPRVONBUFADIE-UHFFFAOYSA-N 313.375 1.148 0 40 DDAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1nnc2n1CCC2 44934472 OYDHSYGGPIWTCX-ZWNOBZJWSA-N 314.345 1.242 0 40 DDAB CC[C@H](CN1C(=O)N[C@@H](C)C1=O)N1CCc2ccccc2C1 44980683 NQAWJRIAPDPNLO-SWLSCSKDSA-N 301.390 1.764 0 40 DDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC2(CC1)OCCO2 28077905 SOJDVMLNVJABIW-LBPRGKRZSA-N 315.373 1.823 0 40 DDAB O=S(=O)(C[C@@H]1CCCO1)c1ccc(Br)cn1 45360252 UFZIRGDGOXSXAD-VIFPVBQESA-N 306.181 1.797 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)[C@@H](C)CO1 45449592 UINJOXQTGFZJOG-STQMWFEESA-N 316.357 1.739 0 40 DDAB CC(C)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 46346480 XEYQQMBUWGIRKP-UHFFFAOYSA-N 302.371 1.409 0 40 DDAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cnn1C 12876706 JJVYXGVHYJUZTM-VIFPVBQESA-N 300.318 1.700 0 40 DDAB Cc1cc(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)no1 12872106 YMCPKJZDOUUPLK-VXGBXAGGSA-N 310.398 1.992 0 40 DDAB COc1ccccc1/C=C/C(=O)N1CCN(c2ncccn2)CC1 3603592 DDFNHYQHQLCONT-BQYQJAHWSA-N 324.384 1.847 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8990287 AYEIITNHQDTXJY-QMMMGPOBSA-N 320.784 1.501 0 40 DDAB COCc1nc(C(=O)NCc2cccnc2N(C)C)cs1 65107219 PHCCAWRIMBKDHS-UHFFFAOYSA-N 306.391 1.681 0 40 DDAB CC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 65405197 XUQXPNKJLOFLJD-UHFFFAOYSA-N 304.346 1.152 0 40 DDAB COc1c(CNCCNc2ncccn2)c(C(C)C)nn1C 65514495 LGSFPHATXMVWBS-UHFFFAOYSA-N 304.398 1.544 0 40 DDAB COCCNC(=O)CCC(=O)N[C@H](C)CCc1ccccc1 4600463 RBHSNYRJBIJPMN-CQSZACIVSA-N 306.406 1.667 0 40 DDAB Cc1nn(C)c(Cl)c1CC(=O)OC[C@H]1CCCN1C(N)=O 96006868 ZEJNXAIHQUVTFC-SECBINFHSA-N 314.773 1.011 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4814558 NHWVBDPHZSVMIF-SMDDNHRTSA-N 306.337 1.474 0 40 DDAB COc1cccc(CNCCCSc2nnnn2C)c1OC 4993814 RLZFACBIZQNBCM-UHFFFAOYSA-N 323.422 1.499 0 40 DDAB CN(CCS(=O)(=O)CCC(N)=O)Cc1ccc(Cl)s1 15294298 XVULYEIQVMJMDZ-UHFFFAOYSA-N 324.855 1.124 0 40 DDAB CNC(=O)c1c(S(=O)(=O)Nc2ccc(F)cc2)n[nH]c1C 67245475 NLNLIFCJMJEDQG-UHFFFAOYSA-N 312.326 1.018 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)C1CC1 7398273 PMOBRVHTOCHHRH-UHFFFAOYSA-N 323.345 1.282 0 40 DDAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)CC1 7425600 JAHQELYBDWNSAI-UHFFFAOYSA-N 305.382 1.241 0 40 DDAB CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccco1)c1ccco1 68323943 FTRDHACYUZXHRZ-LBPRGKRZSA-N 319.361 1.412 0 40 DDAB COCC(=O)N[C@H](C(=O)NCc1cc2ccccc2[nH]1)C(C)C 96420716 QEJUCRRGGRUXTQ-INIZCTEOSA-N 317.389 1.571 0 40 DDAB CCNC(=O)NC(=O)CSc1nncn1-c1ccccc1F 8338966 OVELMTBYELFBSW-UHFFFAOYSA-N 323.353 1.344 0 40 DDAB Cc1cnn(C[C@@H]2CN(c3nn4cc(C)nc4s3)CCO2)c1 69445322 YASDWSBSBYUPIM-LBPRGKRZSA-N 318.406 1.510 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C[C@H](O)Cn2cccn2)n1 71878658 XKVRYLUWNIPRKB-CVEARBPZSA-N 303.410 1.222 0 40 DDAB COc1ccc(COC[C@@H](O)CNC(=O)c2ccncc2)cc1 69584395 MSMOVSGYYCFDOU-HNNXBMFYSA-N 316.357 1.398 0 40 DDAB Cc1ccsc1-c1nnc(SCC(=O)N2CCNC2=O)o1 69585379 QXDQYLYFMSMARA-UHFFFAOYSA-N 324.387 1.750 0 40 DDAB Cc1n[nH]cc1CN[C@H](C(=O)N1CCOCC1)c1ccccc1 71837242 AKTIYUJWLCSOBP-INIZCTEOSA-N 314.389 1.408 0 40 DDAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCn1cncn1 69773212 NTWIBYRVDHHNBL-UHFFFAOYSA-N 311.128 1.881 0 40 DDAB CN1C[C@@H](C(=O)NCCc2nc(C(C)(C)C)cs2)CC1=O 69744759 DDAYWVXWNFIFTN-JTQLQIEISA-N 309.435 1.578 0 40 DDAB Cc1ccc(N2CCC[C@@H](NCc3noc(C4CC4)n3)C2)nn1 69920729 MHSXNDBZYHXGLF-CYBMUJFWSA-N 314.393 1.804 0 40 DDAB Cc1nscc1C(=O)N1CCN([C@H](C)C(=O)NC(C)C)CC1 97080399 SQANYVULQWLZGA-GFCCVEGCSA-N 324.450 1.122 0 40 DDAB O=C1N[C@@H](c2ccc(SC(F)F)cc2)N2CCOC[C@H]12 97081112 ZKCJQPABFCXCBH-GHMZBOCLSA-N 300.330 1.831 0 40 DDAB COc1c([C@H]2CCCN2CC(=O)NCC2CC2)c(C)nn1C 72253736 DYEWVJAQEPGQIN-CYBMUJFWSA-N 306.410 1.400 0 40 DDAB COCCNC(=O)CCNC(=O)C(C)(C)c1cccc(F)c1 95398822 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NC(=O)CN1CCC(N[C@H]2CSCCc3ccccc32)CC1 89865444 KJHUZFMKVJAMTQ-INIZCTEOSA-N 319.474 1.556 0 40 DDAB O=S(=O)(c1cccnc1N1CCOCC1)N1CCCCC1 65513374 VUICVZDXTDDSCB-UHFFFAOYSA-N 311.407 1.093 0 40 DDAB COCc1nc(C)cc(N2CCN(c3ncns3)CC2)n1 521398419 GIYVUKKVRIIXRZ-UHFFFAOYSA-N 306.395 1.110 0 40 DDAB COc1c(Cl)cccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553534599 NGSUNOTVJMOSDB-NHYWBVRUSA-N 309.797 1.981 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CCCc2ccccn2)C1 76378035 HHUBEWYBUPSLQB-CABCVRRESA-N 324.446 1.876 0 40 DDAB CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(-c2ncon2)c1 79800756 ZOARFGDRYXEPCR-ZDUSSCGKSA-N 302.334 1.971 0 40 DDAB OCCN1CCO[C@@H](COc2cccc(Br)c2)C1 217497524 DEYNZDMHWMKMCE-CYBMUJFWSA-N 316.195 1.521 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(CCC(=O)O)C1CC1 314554877 LDQVFFKSQDOIAW-BMIGLBTASA-N 305.330 1.681 0 40 DDAB COC(=O)[C@H]1C[C@H]1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 73203695 NKBXRJUNSMHHHK-DFBGVHRSSA-N 313.357 1.859 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 79391392 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CN1CCO[C@H](C(=O)Nc2ccc(CN3CCCC3)cc2)C1 85503167 JPLHJJZIOGDWFJ-INIZCTEOSA-N 303.406 1.552 0 40 DDAB c1nc2c(c(NC3CC3)n1)CCN(CCN1CCCC1)CC2 96255491 PFHTXUCQVNOOSL-UHFFFAOYSA-N 301.438 1.547 0 40 DDAB C[C@@H]1CCCN(C(=O)c2ccc(OCc3nnnn3C)cc2)C1 96101314 VENWJOFGOSQMOE-GFCCVEGCSA-N 315.377 1.661 0 40 DDAB C[C@H](NCc1cn(C)c(=O)n(C)c1=O)c1ccc(F)c(F)c1 237512722 HRUOLRSAFRDHTN-VIFPVBQESA-N 309.316 1.213 0 40 DDAB CS(=O)(=O)N1CCCC[C@]12CCN(Cc1cccnc1)C2 96203139 MMMOFXSBUNBXIZ-OAHLLOKOSA-N 309.435 1.472 0 40 DDAB OCCOCc1ncn2c1CN(Cc1cccnc1)CCC2 96259960 SJERORVKAZJRNO-UHFFFAOYSA-N 302.378 1.193 0 40 DDAB O=C(NCc1cn2c(n1)CN(Cc1ccoc1)CC2)C1CCC1 96197426 GZWYRCMAZIWNIT-UHFFFAOYSA-N 314.389 1.908 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](CN)[C@H]1c1ccc(Br)cc1 242437283 BWGKWIMXFIPLAY-IJLUTSLNSA-N 318.236 1.925 0 40 DDAB COCCC(=O)N1CC2(CC[C@@H](CN3CCCCC3)CO2)C1 247814093 ABYHCFVDEGYZSF-HNNXBMFYSA-N 310.438 1.516 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)NC1CC1)CN(Cc1ccoc1)C2 248063103 VCMNQFUZWCRCRJ-ZDUSSCGKSA-N 300.362 1.391 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)C3CCOCC3)CCO2)nc(C)n1 257317805 VLGDIWMTUWJZFQ-HNNXBMFYSA-N 305.378 1.420 0 40 DDAB C[C@@]1(C(N)=O)CN(Cc2ccc(Br)cc2)CCO1 257200862 AFDQHLGJNGADMV-ZDUSSCGKSA-N 313.195 1.525 0 40 DDAB O=C1CCCN1CC(=O)N1CC(Cc2nccc3cc[nH]c23)C1 257220269 DKFNMJNRGKMETN-UHFFFAOYSA-N 312.373 1.186 0 40 DDAB CN1[C@@H]2CN(C(=O)c3ccnnc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257253097 JXNRZMXMOIAZNH-MPTYRVRUSA-N 300.406 1.954 0 40 DDAB O=S(=O)(c1ccccc1)N1CCO[C@@H](Cc2cccnc2)C1 257312813 UPQQMDBXNDXYDM-HNNXBMFYSA-N 318.398 1.714 0 40 DDAB CCOc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H](O)[C@@H]1O 257207631 BINXLTDHEDDBFV-MGPQQGTHSA-N 308.378 1.217 0 40 DDAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1 25278409 RXVKOHRYEWVTMP-UHFFFAOYSA-N 324.344 1.311 0 40 DDAB O=C(CS(=O)(=O)Cc1ccccc1C1CC1)N1CCOCC1 390833397 GVUUFBVWEOMUEQ-UHFFFAOYSA-N 323.414 1.338 0 40 DDAB COc1ccc(N2C(=O)N[C@@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 575420447 IRMODPIJPRELFK-MWLCHTKSSA-N 316.766 1.044 0 40 DDAB 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Cc1nc(C)c(-c2ccc(=O)n(CC3CCNCC3)n2)s1 1888842611 YXAPDJGWGYQIQW-UHFFFAOYSA-N 304.419 1.983 0 40 DDAB Cc1nnc(N2CCN(c3nccc(N(C)C)n3)CC2)s1 1888899181 VTJYPTOUSUGPAW-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB Cc1cnccc1O[C@H]1CCN(c2nccn3c(C)nnc23)C1 1889138890 CUIAVKCXRYAUHT-ZDUSSCGKSA-N 310.361 1.794 0 40 DDAB CCCNC(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 15807352 JEYIYAJFQSWCGC-SNVBAGLBSA-N 302.330 1.600 0 40 DDAB Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)n1C 22080997 XVRFJCDJNUQKLD-UHFFFAOYSA-N 314.389 1.495 0 40 DDAB O=C1C[C@H]2[C@H](CCN2Cc2cccnc2)N1Cc1cccnc1 2056226294 OSXNRWLYVIEHLH-IRXDYDNUSA-N 308.385 1.852 0 40 DDAB O=C(N1CCC[C@@]2(C1)CN(CCN1CCCC1)C2=O)C1(F)CC1 1614927668 ZYLDGKTUCJNHRG-MRXNPFEDSA-N 323.412 1.035 0 40 DDAB COc1ccc(-c2cc(C(=O)O)n3ncnc3n2)c(OC)c1 8342590 FAVVLAZRUXQSHP-UHFFFAOYSA-N 300.274 1.507 0 40 DDAB O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3nnn[nH]3)cc2)c1 144056468 PBWAEDNWIIGYCB-UHFFFAOYSA-N 310.269 1.930 0 40 DDAB Cc1ccc(OCCC(=O)N2CCC(C(N)=O)CC2)c(C)c1 40069011 SFIMMTMXQBKKDU-UHFFFAOYSA-N 304.390 1.796 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(F)c2)CCO1 30333628 CNZLLULQJJSKKY-SNVBAGLBSA-N 303.355 1.634 0 40 DDAB COc1ccc(OCC(=O)O[C@H](C)CN2CCN(C)CC2)cc1 20292337 GZRSBPGOZRVJRJ-CQSZACIVSA-N 322.405 1.253 0 40 DDAB COC(=O)CCNC(=O)c1ccn(-c2ccccc2Cl)n1 50559292 GTGOBKLMAKFPHR-UHFFFAOYSA-N 307.737 1.819 0 40 DDAB O=C(CCNc1ncccn1)N[C@H]1CCCc2[nH]c(=O)ccc21 51064427 KMJIKAANJJKQLU-ZDUSSCGKSA-N 313.361 1.161 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)Nc2[nH]ncc2-c2ccccc2)n1 20616223 OZCZSGCAEHXYKU-UHFFFAOYSA-N 311.301 1.761 0 40 DDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1 203764 JPMJBFARDARQBI-CQSZACIVSA-N 322.430 1.710 0 40 DDAB CC1(C)[C@H]2CN(C(=O)c3ccc(CNS(C)(=O)=O)o3)C[C@@H]21 101524862 NTKRXYSCCGJUED-QWRGUYRKSA-N 312.391 1.057 0 40 DDAB CC(=O)N[C@H](C(=O)N(C)CCOc1ccccc1F)C(C)C 32787933 FZXUYJFYNHSLOQ-HNNXBMFYSA-N 310.369 1.824 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)o1 32827123 SRAPAGZPQOGXCV-UHFFFAOYSA-N 312.322 1.921 0 40 DDAB CCCCn1nnnc1COc1cc(OC)ccc1C(N)=O 32837628 QGKBXXISCKVGSH-UHFFFAOYSA-N 305.338 1.160 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H](O)C1 52635956 HFZXFTICNIOPHE-RDJZCZTQSA-N 317.433 1.180 0 40 DDAB CCn1cnnc1CNC(=O)N[C@H](CCN(C)C)C(C)(C)C 76016710 ADTCDQGZXHGIOR-GFCCVEGCSA-N 310.446 1.464 0 40 DDAB CCN(CC)C(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 76779739 DCNLEHIOWRVSHD-INIZCTEOSA-N 305.422 1.931 0 40 DDAB Cc1n[nH]c(C(N)=O)c1NS(=O)(=O)c1cccc(Cl)c1 78601490 AYJKBVHMQJDRAJ-UHFFFAOYSA-N 314.754 1.271 0 40 DDAB C[C@@H](CN1CCCCC1)NC(=O)c1cccc(-n2cncn2)c1 78734131 CNVIFQIZYOHYES-AWEZNQCLSA-N 313.405 1.872 0 40 DDAB COCCN1CCN(C[C@H](O)c2ccc(C)c(C)c2)C[C@H]1C 71864790 IOHGWMXSPWPXCR-AEFFLSMTSA-N 306.450 1.989 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)NCCC(C)C)nc2n1 3039269 YQFHQPIUDHVZCF-UHFFFAOYSA-N 307.423 1.996 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCc3cnc(C)nc3C2)on1 71859676 GBYNTGGOAHIWKP-SNVBAGLBSA-N 301.350 1.467 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1cc(C)ccc1C)C(=O)O 4192708 CKDWLZHYVGSHRS-AWEZNQCLSA-N 308.378 1.711 0 40 DDAB CC(C)Oc1ccc(-c2noc(C(=O)NCCN(C)C)n2)cc1 12391523 ZVNPOOZSMMZDNN-UHFFFAOYSA-N 318.377 1.815 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4354477 RFXLAFBMVCLYPX-RFGFWPKPSA-N 303.314 1.678 0 40 DDAB CCN(CC)C(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 6593950 YGIFRYMYWJNHML-UHFFFAOYSA-N 316.398 1.705 0 40 DDAB CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 8085971 ONQWTEFFJCBCAS-OAHLLOKOSA-N 303.406 1.788 0 40 DDAB CN(C)C(=O)c1ccc(CNC(=O)c2cn3ccccc3n2)cc1 42635653 KAVUFZWKAZIROF-UHFFFAOYSA-N 322.368 1.966 0 40 DDAB O=S1(=O)C=C[C@@H](NC(=S)Nc2ccccc2Cl)C1 60860331 JDDMBDFEIYGNSM-MRVPVSSYSA-N 302.808 1.937 0 40 DDAB CCN1C(=O)[C@@H]2CC=C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2C1=O 25047396 DAAXMSLUFDAMMF-MGPQQGTHSA-N 316.332 1.505 0 40 DDAB Cn1cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cn1 25307520 NVXFBLUBLKJQAO-UHFFFAOYSA-N 313.766 1.486 0 40 DDAB Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(C)C[C@H]2C)c1 107580925 IQMCAZNUOLWRKX-HZPDHXFCSA-N 319.449 1.514 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(C/C=C/c4ccccc4)C(=O)[C@H]13)O2 101245296 NNUJCNWGCDEOES-SGQAZZEDSA-N 311.337 1.566 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCn2c(nnc2C2CC2)C1 72268833 MMUDAULYEQCEPH-GFCCVEGCSA-N 303.410 1.372 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)no1 72231953 NKXNFAIJFBGQIR-NWDGAFQWSA-N 318.377 1.095 0 40 DDAB CS(=O)(=O)NCCC(=O)Nc1ccccc1N1CCCC1 57887139 GMZOWIKKUWRWBE-UHFFFAOYSA-N 311.407 1.165 0 40 DDAB O=C1CCCN1CCCNCc1csc(-c2ncccn2)n1 58099899 ZRAOYYUVSYEKIZ-UHFFFAOYSA-N 317.418 1.702 0 40 DDAB CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 35973905 UBONSUREFARGMA-UHFFFAOYSA-N 308.325 1.642 0 40 DDAB O=C(CN(Cc1ccco1)Cc1ccco1)N1CCNC1=O 58171368 PLKVANQDENSZHC-UHFFFAOYSA-N 303.318 1.427 0 40 DDAB C[C@H](Nc1cc(C(F)(F)F)nc2ncnn12)C(=O)N(C)C 44976053 QXOZMKXSGVGHDU-LURJTMIESA-N 302.260 1.032 0 40 DDAB Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(N)cc1)CO2 97376014 DPTOTDKXFXBDRM-CQSZACIVSA-N 304.371 1.989 0 40 DDAB CCOC(=O)/C(O)=C1\C(=O)N(C)C(=O)[C@@H]1c1cccc(OC)c1 102981968 LWTSZQCUUWCQDE-GXZRWPEMSA-N 319.313 1.153 0 40 DDAB CC(C)NC(=O)c1nsc(C(=O)NCc2ccccc2)c1N 62006812 NPRCVZDWTFNTNJ-UHFFFAOYSA-N 318.402 1.794 0 40 DDAB COC(=O)[C@@H](C)CN(CCC(=O)N(C)C)Cc1ccccc1 60333759 CYLPNGLTRZGDOC-AWEZNQCLSA-N 306.406 1.776 0 40 DDAB C[C@H](CNC(=O)c1ccc(O)nn1)N1CCc2sccc2C1 29879784 SPUCSYJYUGPKIB-SNVBAGLBSA-N 318.402 1.420 0 40 DDAB C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)N1CCNC1=O 12897454 TULCZHRHMSLIHQ-MRVPVSSYSA-N 309.395 1.495 0 40 DDAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)[C@@H]1CCCO1 29958858 SDYHWDRJPMZIIP-YGRLFVJLSA-N 301.346 1.149 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc2c(c1)OCO2 3607247 NOXFZFJNTHPVNE-UHFFFAOYSA-N 323.308 1.764 0 40 DDAB CCc1ccc(C(=O)NCCCN(CC)S(C)(=O)=O)s1 48746698 OQZDCEBEGUFVAA-UHFFFAOYSA-N 318.464 1.712 0 40 DDAB CC(=O)c1ccc(-n2c(C)cn(CC(=O)NC(C)C)c2=O)cc1 63863950 CAJVLWKETIZSHJ-UHFFFAOYSA-N 315.373 1.675 0 40 DDAB COc1ccc([C@H](C)NC(=O)c2ccc(=O)n(C)n2)cc1F 19458658 ATXZGWMIVUYHSH-VIFPVBQESA-N 305.309 1.419 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)OCC(F)(F)F)c1 39947505 UOTUPLFLAZFGQN-UHFFFAOYSA-N 301.228 1.988 0 40 DDAB in-vitro COC[C@H](C)N(C)C(=O)NCc1cccnc1N1CCOCC1 65429124 MHUIUJHCDDOHAI-ZDUSSCGKSA-N 322.409 1.095 0 40 DDAB C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H](c2ccccc2)O1 65515022 USRCAALWEHWWKP-HIFRSBDPSA-N 302.374 1.597 0 40 DDAB C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N1CCc2sccc2C1 65588508 BKVMDHSAMBKKED-NEPJUHHUSA-N 321.446 1.137 0 40 DDAB CN1CC[C@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O 65522847 GVJHBKXRNOIEKR-AWEZNQCLSA-N 312.373 1.738 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H](C)N1C(=O)N(C)C 4999050 CRCKRKPDERMSOO-RYUDHWBXSA-N 311.407 1.409 0 40 DDAB NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 7304932 ZSRKQWNBJLNDOJ-AWEZNQCLSA-N 308.403 1.204 0 40 DDAB CC(C)NC(=O)NCc1ccc(C(=O)NC[C@H]2CCCO2)cc1 7916952 DFGYIRPAJCDHRH-OAHLLOKOSA-N 319.405 1.803 0 40 DDAB CCN(C(=O)N1CCN(C(=O)CC(F)(F)F)CC1)C(C)C 97141730 LHLHVECCZJTXOZ-UHFFFAOYSA-N 309.332 1.933 0 40 DDAB Cc1ccn2c(=O)cc(CSc3nnnn3C3CC3)nc2c1 8230787 QWEYTASTYOFFPB-UHFFFAOYSA-N 314.374 1.617 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)c1 70004466 DMZVJCVSIQRTLI-ZDUSSCGKSA-N 310.361 1.768 0 40 DDAB O=[S@@](CCN1CCN(c2ncccn2)CC1)c1ccccc1 69379178 IOJPEFCGOIZQPC-JOCHJYFZSA-N 316.430 1.406 0 40 DDAB CCOCCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)NC)c1 69376999 IAWUIIWMDPKHKS-SNVBAGLBSA-N 312.341 1.565 0 40 DDAB CC(C)(C)c1cc(NC(=O)C(=O)N2CCCSCC2)no1 69483888 PGHSUKGVCOOQAV-UHFFFAOYSA-N 311.407 1.876 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1cnn(C)c1 71797292 SBABUYNSRANVQQ-AWEZNQCLSA-N 316.409 1.546 0 40 DDAB O=C1NC2(CCSCC2)C(=O)N1C[C@H](O)c1ccccc1 69568670 IOBUNEGGAFQDKF-LBPRGKRZSA-N 306.387 1.538 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(O)CC3)CC2=O)cc1 69699199 KEROEGGXVFOJDK-ZDUSSCGKSA-N 302.374 1.331 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCC[C@H](Cn2cncn2)C1 69818111 VRAXJNLBBWBTJN-SWLSCSKDSA-N 317.368 1.356 0 40 DDAB C[C@H](NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccccc1 8719478 OZCBEPXMJPFLPY-NSHDSACASA-N 303.362 1.584 0 40 DDAB Cc1nc(CC(=O)NCc2nc(-c3ccco3)n[nH]2)cs1 71858686 FKUMXGMSMHTARE-UHFFFAOYSA-N 303.347 1.689 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](C)C(=O)O 95970579 BZFAONJZCPFDSH-LLVKDONJSA-N 315.373 1.869 0 40 DDAB CN(C(=O)CCn1cnc2ccccc2c1=O)c1cnn(C)c1 75146452 SFLHDUWWSLBRCI-UHFFFAOYSA-N 311.345 1.183 0 40 DDAB C[C@H]1CN(C)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1C 89939114 MKNVSFMOVMUTEQ-LBPRGKRZSA-N 307.442 1.292 0 40 DDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N[C@H]1CCCNC1=O 75582178 BJNOTMZIQNSWNI-QMMMGPOBSA-N 313.260 1.408 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)N2CCc3sccc3C2)c1 69709280 LCLJUMLLHRJEIJ-ZDUSSCGKSA-N 318.446 1.816 0 40 DDAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@H]1CCCCN1 1505840705 SMXVWNBSFOVCIU-HZPDHXFCSA-N 323.481 1.966 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1 72242244 JKZLWYVHMCZCHJ-SMDDNHRTSA-N 303.293 1.972 0 40 DDAB Oc1cc(CNc2ncnc3sc4c(c23)CCC4)nc(O)n1 521398496 KIMHKWRQRPIKJW-UHFFFAOYSA-N 315.358 1.993 0 40 DDAB Cc1nccc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 371977304 FUZUTZDNWZAZDO-UHFFFAOYSA-N 310.405 1.780 0 40 DDAB O=Cc1cccn1CC(=O)N1CCN(c2ccccc2F)CC1 72331916 JIJMHRKPMABCQH-UHFFFAOYSA-N 315.348 1.789 0 40 DDAB CN1C(=O)[C@@](C)(C(=O)Nc2cnn(C)c2)Sc2ccccc21 40775013 DBOWCQVGFFXMJM-OAHLLOKOSA-N 316.386 1.886 0 40 DDAB CCc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)OC 226687588 HCDVVFHWGKRVAW-UHFFFAOYSA-N 313.375 1.242 0 40 DDAB Cc1cc(N2C[C@@H](C(N)=O)CC2=O)cc(C)c1Br 45889621 UFWSZXASIVYAHI-VIFPVBQESA-N 311.179 1.904 0 40 DDAB NCC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1 83318434 VZQIYOXPHSGNBZ-UHFFFAOYSA-N 305.378 1.299 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1[C@H]2CC[C@@H]1COC2 85471120 JVGBIXCBVLTXKA-DTORHVGOSA-N 317.388 1.087 0 40 DDAB Cc1ccc2c(c1)C1(CCN(C(N)=O)CC1)CN2C(=O)N(C)C 96161025 PGUVAWQUYFTAET-UHFFFAOYSA-N 316.405 1.909 0 40 DDAB Cc1nnc(C[C@@H]2COC[C@H]3CN(Cc4cnn(C)c4)C[C@@H]23)o1 97953565 RICBKCRQAYQCQF-KFWWJZLASA-N 317.393 1.049 0 40 DDAB CN(CC(F)(F)F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1 96451849 XIDDHWXJRQJIFQ-UHFFFAOYSA-N 320.315 1.888 0 40 DDAB CCN(CC)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 96196835 VTLZAYQCAMSRSF-HNNXBMFYSA-N 306.454 1.620 0 40 DDAB Cc1cc(C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)[nH]n1 96408978 LSOBHTGVWICFMK-HNNXBMFYSA-N 303.362 1.969 0 40 DDAB Cn1nnnc1COc1cccc(C(=O)Nc2nccs2)c1 96101346 IIPDVNPELOQZFY-UHFFFAOYSA-N 316.346 1.498 0 40 DDAB COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 96408512 XRYNOUXPPAQXLT-STQMWFEESA-N 304.321 1.775 0 40 DDAB CC[C@@H](C(=O)OC)N(C(=O)Cn1cccn1)c1ccccc1 96409928 XCFWCEGYRIBXRM-AWEZNQCLSA-N 301.346 1.868 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1COCCO1 96423026 YKAJNUSRCQLFRP-WFASDCNBSA-N 324.808 1.840 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)NC[C@@H]2CCCO2)CC1 98211888 RXKURWKVSRABKI-AWEZNQCLSA-N 322.409 1.298 0 40 DDAB CN(C)C(=O)CN1CCC2(CCN(Cc3ccco3)CC2)C1=O 96046842 LVYWSLPGTXKTEV-UHFFFAOYSA-N 319.405 1.182 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257230103 GAVQHJPEMSOLEM-LBPRGKRZSA-N 306.391 1.626 0 40 DDAB CN(C)C(=O)CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 257266944 MFFXMXQMWPSFRI-MAUKXSAKSA-N 315.417 1.213 0 40 DDAB Cc1cc([C@@H]2CCCCN2C(=O)Cn2ccnc2)nc2ccnn12 257243663 IHZHDFKTZNFMSI-HNNXBMFYSA-N 324.388 1.988 0 40 DDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 257240404 HTHJEPHBQJVISH-LBPRGKRZSA-N 310.361 1.479 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccc(N)cc2)C1 256006835 VKXBJVVMIPLVRX-HUUCEWRRSA-N 320.437 1.868 0 40 DDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCCN2S(C)(=O)=O)n1 257282401 OTPQKOMAJNVSNZ-ZDUSSCGKSA-N 321.406 1.662 0 40 DDAB CCN(Cc1cnc2ccccn12)S(=O)(=O)c1cccnc1 96025088 BYVXVUKECJINQJ-UHFFFAOYSA-N 316.386 1.940 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC[C@H](Oc2ncc(F)cn2)C1 390828060 OCQNKBPGPUYBCR-AWEZNQCLSA-N 319.311 1.977 0 40 DDAB Cn1cnc2c1C[C@@H](CN1CCCC1)N(C(=O)c1cocn1)C2 585094952 WKEMTAMZJLSORM-LBPRGKRZSA-N 315.377 1.071 0 40 DDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108667 UALRQAMWYVBPCA-BVPDVRDRSA-N 310.369 1.019 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 72231809 SOHKCFFAGFRQSU-KBPBESRZSA-N 323.393 1.670 0 40 DDAB COc1ccc([C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1F 44261546 BBNAIBBUXGKZNI-BLLLJJGKSA-N 322.336 1.588 0 40 DDAB c1cnc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1 1776000903 PELNFUJBAAGVNC-ZDUSSCGKSA-N 314.393 1.305 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN(c2ccccc2)CC1 57290075 POHDUVCUEKGPGX-GFCCVEGCSA-N 315.339 1.876 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1 95627238 OGXKNNCKUUAGLT-UHFFFAOYSA-N 307.350 1.837 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 76084275 DAXFKNPHQMBUSF-UHFFFAOYSA-N 322.315 1.366 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1cccc(F)c1F 89768148 DVDGTJFCDMDXEK-GHMZBOCLSA-N 318.327 1.922 0 40 DDAB c1cc2nnnn2nc1N1CCC[C@H](CN2CCCCCC2)C1 89794299 AGVLFMGGBREXCD-CQSZACIVSA-N 315.425 1.612 0 40 DDAB O=C1C[C@H](C(=O)NCc2cccnc2)Oc2ccc(F)cc21 28580456 GYAHMFOQORLZOT-OAHLLOKOSA-N 300.289 1.871 0 40 DDAB COc1cc(C(=O)Sc2nnnn2C)cc(OC)c1OC 5748901 XWYOMOVDONPJJR-UHFFFAOYSA-N 310.335 1.168 0 40 DDAB CC(C)(C)NS(=O)(=O)c1cccc(N2C(=O)CCC2=O)c1 5284077 JCBFLXOIGVFFQG-UHFFFAOYSA-N 310.375 1.417 0 40 DDAB Cn1ccnc1N1CCN(CC(=O)Nc2cccc(F)c2)CC1 12444693 XICKYNNKLDIKLV-UHFFFAOYSA-N 317.368 1.320 0 40 DDAB COC(=O)C1=NO[C@H](c2cc(OC)c3c(c2OC)OCO3)[C@@H]1C 15085692 MWHNPDBQKKBMQH-HQJQHLMTSA-N 323.301 1.669 0 40 DDAB C[C@H]1CCC[C@@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 15274350 TXFYYWHRTDECTR-GXSJLCMTSA-N 308.330 1.690 0 40 DDAB biogenic,in-vitro O=C(C1CC1)N1CC(n2nc(-c3cccs3)ccc2=O)C1 19344458 TWWJPWGGIJKBBD-UHFFFAOYSA-N 301.371 1.765 0 40 DDAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)ncc1C(N)=O 19758322 GDDRVYOKVKKCJF-ZDUSSCGKSA-N 310.357 1.514 0 40 DDAB Cc1cccnc1CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 159018290 NQDHLIAYNUVNGW-ZDUSSCGKSA-N 315.377 1.945 0 40 DDAB CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 2390947 MRRLFGAIRAUOCS-ZDUSSCGKSA-N 322.361 1.528 0 40 DDAB in-vitro CCNC(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 7502766 VLGZWLCUVGRTLV-LLVKDONJSA-N 324.377 1.878 0 40 DDAB Cc1cnc(N2CCN(c3ncnc4c3CCCC4)CC2)nc1 1888842675 OKOJOPSQCZDONX-UHFFFAOYSA-N 310.405 1.780 0 40 DDAB CCN=c1[nH]c([C@H]2CCCN2C(=O)COCC)c2sccn12 2037838627 RVDSWRRMBPTROL-LLVKDONJSA-N 322.434 1.950 0 40 DDAB Cc1noc(C)c1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037980718 GCVBUGLGXDQGED-INIZCTEOSA-N 307.394 1.505 0 40 DDAB CC1(C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223430 KVOIUWNQOROAMY-RDBSUJKOSA-N 301.390 1.544 0 40 DDAB CC(C)Oc1cccc(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 1614932855 UFJNIVAFWIVQOQ-DOTOQJQBSA-N 318.417 1.876 0 40 DDAB CC(C)S(=O)(=O)N1CCN(c2ncnc3ccccc23)CC1 2086958043 DBZMPEWYZCSQJA-UHFFFAOYSA-N 320.418 1.490 0 40 DDAB CCC[C@@H](C)N1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 1565542817 UZIQVZUNMICFJW-UKRRQHHQSA-N 316.467 1.144 0 40 DDAB COCCN1C[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]2C1=O 1565556171 XSWJYNLQPOMLHS-JUGZCIIYSA-N 320.414 1.325 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1C(C)C 1565552566 ZSGMQDADWVYXDI-CQSZACIVSA-N 320.437 1.761 0 40 DDAB COC(=O)N1CCC(CNS(=O)(=O)c2ccccc2)CC1 43956688 GPCGOEMSMJDRKO-UHFFFAOYSA-N 312.391 1.443 0 40 DDAB O=C(NC(=O)c1ccco1)N[C@H](C(=O)O)c1ccc(F)cc1 26892916 STXREOKMIZTVFW-NSHDSACASA-N 306.249 1.684 0 40 DDAB CC(C)CCNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 40488159 QQRIRNSUGBFPQT-GFCCVEGCSA-N 307.316 1.722 0 40 DDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1ccccc1 30585643 UNIHJVFQHFNHSJ-CYBMUJFWSA-N 322.368 1.814 0 40 DDAB Cc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)c(C(=O)O)c1 50253165 RLWQLQMXLFMBBU-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(C)n2)cc1 40498991 DUZFCDFTKMCXQW-UHFFFAOYSA-N 319.386 1.228 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CC(C)C)n(C)c1 31411084 UTWLQHJRKKCCCT-LLVKDONJSA-N 315.439 1.440 0 40 DDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccsc1 40505251 YVLIQBUOYJUUOY-OCCSQVGLSA-N 310.419 1.215 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 40516087 XWBPYNPQSONSID-UHFFFAOYSA-N 317.320 1.818 0 40 DDAB c1csc(CN2CCCN(Cc3nnnn3C3CC3)CC2)c1 40513784 WOKUAOZDFNYPJW-UHFFFAOYSA-N 318.450 1.777 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)c1ccc(F)cc1F 51280987 PRMFRUQSQWKRHM-CHWSQXEVSA-N 310.300 1.815 0 40 DDAB COc1cccc(NC(=O)c2nn(C)cc2C(=O)O)c1OC 20614939 GYQQKGITAGJUEW-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB Cn1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 32759798 XKQPGLKVVKDSDV-LLVKDONJSA-N 318.402 1.973 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)OCO2 32819513 JAYGHVCOSSAYNP-CQSZACIVSA-N 324.336 1.468 0 40 DDAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccccc1C 52827769 AKDHVNUYYCJMEA-UHFFFAOYSA-N 311.389 1.987 0 40 DDAB CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 37263432 BQAVTADNLJNFMQ-LLVKDONJSA-N 311.179 1.938 0 40 DDAB C[C@H](NC(=O)N(C)CCCOc1ccccc1)c1nncn1C 46963162 JGLHJRKTXNMPNT-ZDUSSCGKSA-N 317.393 1.987 0 40 DDAB Cc1ccc(/C=C/C(=O)NC2CCN(C(N)=O)CC2)c(C)c1 72281078 QEQXYVUYHRGJFG-AATRIKPKSA-N 301.390 1.976 0 40 DDAB Cn1ncc(C(=O)NCCN2CCCCC2)c1C(F)(F)F 53212749 XXICFFBMARWDOM-UHFFFAOYSA-N 304.316 1.655 0 40 DDAB COC[C@H](NC(=O)Nc1nnc2ccccn12)c1ccco1 78973180 DIRSCMLXBABROG-JTQLQIEISA-N 301.306 1.832 0 40 DDAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(C(N)=O)cc2)nc1 78986212 MXFODMGOUVEUKT-BJMVGYQFSA-N 310.357 1.898 0 40 DDAB CCc1nncn1CCNC(=O)N[C@H]1CCc2ccc(F)cc21 78941452 QMBFXFMNTPWVDL-AWEZNQCLSA-N 317.368 1.966 0 40 DDAB CN(C)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cn1 22396204 WUZFCDXMXPVIGH-UHFFFAOYSA-N 323.356 1.647 0 40 DDAB CCCCNC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 3295004 FCINGJRDDDYUAE-UHFFFAOYSA-N 318.373 1.887 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4179253 IMUKUNYFDMSYGJ-RQJABVFESA-N 301.298 1.482 0 40 DDAB CC(=O)N1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 42245623 RWRHOZWEZGIAAR-GFCCVEGCSA-N 321.446 1.185 0 40 DDAB O=C1c2ccccc2C(=O)N1CCn1nnc(-c2ccccc2)n1 4549285 LTXTVGMFJGAIGL-UHFFFAOYSA-N 319.324 1.636 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H]1CCNC1 104347468 DQQYBAUWYNFLQV-NSHDSACASA-N 302.827 1.926 0 40 DDAB CCCCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 6308678 XPJJGUKHWAXHBN-UHFFFAOYSA-N 316.398 1.898 0 40 DDAB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OC 6537665 JVVLOQSYTBJAGN-UKTHLTGXSA-N 304.346 1.763 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc(OC)cc1 6655359 WUKYBOYBTXBEFQ-ZDUSSCGKSA-N 321.402 1.637 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC(C)C 7701866 DMIZGPZZCXHSOO-UHFFFAOYSA-N 314.407 1.149 0 40 DDAB CCOC(=O)CC(=O)CSc1nnc2nc(C)cc(C)n12 10339228 LDWXHQHIDTWWDY-UHFFFAOYSA-N 308.363 1.356 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2nncs2)[C@H]1c1cccc(F)c1 61718635 BTJKRLAZGGJILR-CMPLNLGQSA-N 320.349 1.835 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c1 24261211 LHPFBCWSBQOJDU-UHFFFAOYSA-N 323.374 1.624 0 40 DDAB C/C(=C\C(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 55017359 XCWMPYXIPIINOA-FYWRMAATSA-N 315.417 1.322 0 40 DDAB COc1ccnc(N2CCN(c3nc(C)cs3)[C@H](C)C2)n1 106773667 ATYQXONMZRIABI-LLVKDONJSA-N 305.407 1.965 0 40 DDAB Cn1cc([C@H]2OCC[C@H]2CNCc2cccc(C(N)=O)c2)cn1 84317523 MFKDILBIFGDFDT-HOCLYGCPSA-N 314.389 1.386 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)Nc3cnn(C)c3)CC2=O)c(F)c1 25310317 BFFJKYYSMYAAQC-NSHDSACASA-N 316.336 1.859 0 40 DDAB Cc1ccccc1-n1nnnc1SCC(=O)NCC(C)C 3294145 PITMNVSDBKKAIH-UHFFFAOYSA-N 305.407 1.835 0 40 DDAB COCCn1cc(C(=O)NCc2nncn2C)c2ccccc21 57431896 NDPPPFAOXSXRAI-UHFFFAOYSA-N 313.361 1.346 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C1CCCCC1 57419768 OCZIJLPPOJSBHT-KBPBESRZSA-N 314.451 1.928 0 40 DDAB O=C(NCc1nnc2ccccn12)NC1CCN(C2CC2)CC1 48021870 UNWJYIFQNBFUPP-UHFFFAOYSA-N 314.393 1.155 0 40 DDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccon2)C1=O 8987372 UQQKNPUSEOAMAB-HNNXBMFYSA-N 314.301 1.080 0 40 DDAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccccc2)n[nH]1 12615814 QAARXVCEUNMESA-UHFFFAOYSA-N 315.358 1.642 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1 27565846 XAQKISBUQBORSP-CYBMUJFWSA-N 309.797 1.831 0 40 DDAB COc1c(CN2CCC(OC[C@@H]3CCOC3)CC2)c(C)nn1C 97108582 GHZJEUKIDGMJQV-CQSZACIVSA-N 323.437 1.755 0 40 DDAB CC(=O)Nc1cc(C(=O)OCCc2cnccn2)ccc1F 58172809 AEYIKHRUQWJJKI-UHFFFAOYSA-N 303.293 1.974 0 40 DDAB Cc1cccc(NNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)c1 12770629 RXTMPBZDXHFTOC-UHFFFAOYSA-N 319.342 1.735 0 40 DDAB CCNC(=O)NCCNC(=O)c1cccc(Br)c1 58209635 DGUDCCZBMYEATJ-UHFFFAOYSA-N 314.183 1.498 0 40 DDAB CCN(CC)C(=O)CCNC(=O)N(C)Cc1csc(C)n1 58217975 BKJXRETUHAVIKA-UHFFFAOYSA-N 312.439 1.851 0 40 DDAB C[C@@H](SCc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 58295336 ZMQDQARVQUZJQA-HIFRSBDPSA-N 308.447 1.755 0 40 DDAB COc1ccccc1CCNS(=O)(=O)N1CCCC[C@@H]1C 27953582 HJDNEUKBYZGNAG-ZDUSSCGKSA-N 312.435 1.947 0 40 DDAB O=C(NO[C@@H]1CCCCO1)[C@H]1CCCN(c2ncccn2)C1 58429664 UQONQQNMPCTRPQ-QWHCGFSZSA-N 306.366 1.267 0 40 DDAB Cc1cc(C(F)F)nc(S[C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)n1 101631266 QAUNUHCDUJOUHW-ATZCPNFKSA-N 302.302 1.898 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 3308063 QUWIEIFFNAJQRK-CYBMUJFWSA-N 311.359 1.517 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)CCC2=O)c1C 3343179 FQOXWOFLNNKNIH-UHFFFAOYSA-N 306.318 1.140 0 40 DDAB Cc1ccc2nc([C@@H]3CCCN3C(=O)Cn3cnnn3)[nH]c2c1 61233491 QRHNTRVIWTXFNA-ZDUSSCGKSA-N 311.349 1.222 0 40 DDAB O=C(Nc1ccncc1F)N1CCN(c2cccnn2)CC1 97136006 LSKDRAPCSRTVJF-UHFFFAOYSA-N 302.313 1.365 0 40 DDAB O=C(NC[C@@H]1CCOC1)NC[C@H](c1ccco1)N1CCCC1 48302358 GQTLSSKFOARQMN-UONOGXRCSA-N 307.394 1.752 0 40 DDAB C[C@]1(NC(=S)NCc2cccs2)CCS(=O)(=O)C1 48417197 NMPAQUBJXZUPAG-NSHDSACASA-N 304.462 1.289 0 40 DDAB CCc1ccc(CN(C)C(=O)C2CCN(C(N)=O)CC2)cc1 13097159 ODKSRXSGIRVMBL-UHFFFAOYSA-N 303.406 1.998 0 40 DDAB COCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71195995 NYGJIPAMVSLTDP-UHFFFAOYSA-N 312.391 1.149 0 40 DDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccncc1 13231539 OEVXGOZSHPXKFY-UHFFFAOYSA-N 317.370 1.874 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](C)CN1CCCC1=O 65474704 KGHCPKGTIZRVBE-LBPRGKRZSA-N 307.442 1.143 0 40 DDAB COc1ccc(CNC(=O)NCCc2nc(C)no2)c(OC)c1 65552071 AUMDTORVPNGONJ-UHFFFAOYSA-N 320.349 1.437 0 40 DDAB COCCNC(=S)N1CCc2cc3c(cc2C1)OCCCO3 5346225 OTFZQKFYUYTKKW-UHFFFAOYSA-N 322.430 1.727 0 40 DDAB COC(=O)[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 14166305 VPHWSECYWDSFFU-OAHLLOKOSA-N 312.373 1.513 0 40 DDAB CCOC(=O)C1=C(CN(C)CC)NC(=O)N[C@@H]1c1ccccc1 65613135 IHUDOFWAYVLSKT-OAHLLOKOSA-N 317.389 1.809 0 40 DDAB CN(CC1CC1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 96011028 HZYNMDNNAVANTP-CQSZACIVSA-N 302.378 1.628 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)c1 20635167 XZTVWIYHHUQXHX-NEPJUHHUSA-N 322.386 1.317 0 40 DDAB NOCC(=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 5771130 HLPYBCOYWIGYCE-BZNIZROVSA-N 300.314 1.554 0 40 DDAB COc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(OC)c1 7117991 YTPMHXSUTIIQIN-UHFFFAOYSA-N 316.357 1.939 0 40 DDAB O=C1CCC2(CCN1)CCN(C(=O)CCc1c[nH]cn1)CC2 67756289 DRBKDJBAJGNDNM-UHFFFAOYSA-N 304.394 1.251 0 40 DDAB CC1(C)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O 7320858 BHBLDMXMDSTFHJ-UHFFFAOYSA-N 323.780 1.329 0 40 DDAB CC(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819716 CJNLYKHDVGHATF-CQSZACIVSA-N 320.389 1.561 0 40 DDAB Cc1cn2c(/C=C/C(=O)N3CC[C@H](C(N)=O)C3)c(C)nc2s1 71793014 CCQKTVYBQRMVNB-UFFNRZRYSA-N 318.402 1.360 0 40 DDAB CN(CCN1C(=O)[C@@H]2CCCN2C1=O)Cc1ccc(F)cc1 97045939 RCCJHIBQPAAVRS-AWEZNQCLSA-N 305.353 1.684 0 40 DDAB CC1(C)CN(C(=O)Cc2cc(F)ccc2F)CCS1(=O)=O 96462350 PVBWEGGHDCOKNJ-UHFFFAOYSA-N 317.357 1.543 0 40 DDAB CCS(=O)(=O)N(C)C1CCN(c2nc(C)cc(C)n2)CC1 96456190 SCQRFSXTZQDNGY-UHFFFAOYSA-N 312.439 1.344 0 40 DDAB Cn1ccc(CN2CCN(c3ccc(Cl)cn3)CC2)cc1=O 71833226 GNRNIFUIICIXQC-UHFFFAOYSA-N 318.808 1.756 0 40 DDAB Cc1cc(C(=O)N[C@H](CO)c2ccccc2)c2cnn(C)c2n1 97047555 WBIUHBDZNOHGEO-OAHLLOKOSA-N 310.357 1.740 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1cccc3c1OCO3)CC2 69773704 MFSYFGBHIHDMIG-LBPRGKRZSA-N 300.362 1.674 0 40 DDAB CC(C)c1nc2c(n1C)CCN(C[C@H](O)Cn1cccn1)C2 69742603 FHPYRXZGGLBEAY-ZDUSSCGKSA-N 303.410 1.159 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@@H]2CN(C)CCO2)C1 72307103 NDNSQNFBZZBHCM-ZNMIVQPWSA-N 311.470 1.190 0 40 DDAB Cc1c[nH]/c(=N/C(=O)c2ccc(OCC(F)(F)F)nn2)[nH]1 97237347 APGOMTKACOTNPH-UHFFFAOYSA-N 301.228 1.123 0 40 DDAB CN(CC(C)(CO)CO)C(=O)c1cc(C2CCCCC2)n[nH]1 97236663 PNHHBXUHXJAGFL-UHFFFAOYSA-N 309.410 1.520 0 40 DDAB C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc2ncccc12 95428012 SEVMVCXOMAKRPH-VXGBXAGGSA-N 322.386 1.005 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1sc2nc[nH]c(=O)c2c1C 95478795 ZRUCYOWMUTUVGU-JTQLQIEISA-N 320.418 1.507 0 40 DDAB C[C@H](CCC(=O)O)NC(=O)c1cnn(Cc2ccccc2)c1 95991891 MJIQNKCCMTYNTL-GFCCVEGCSA-N 301.346 1.915 0 40 DDAB CN(C[C@H](O)CO)C(=O)Nc1ccccc1OCC(F)F 95946267 GGWWMJHMZRPYOP-VIFPVBQESA-N 304.293 1.147 0 40 DDAB CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 95996363 AZFIRPRPVFGTHK-WCBMZHEXSA-N 306.332 1.771 0 40 DDAB Cc1cc(NC(=O)Cn2c(-c3cccs3)noc2=O)on1 95990836 IJUDMWRZUQVXRM-UHFFFAOYSA-N 306.303 1.500 0 40 DDAB CC(C)Oc1ccccc1C(=O)N1CC[C@@H](OCC(N)=O)C1 75094472 RCYUIUGXOWMHMC-GFCCVEGCSA-N 306.362 1.190 0 40 DDAB Cc1noc2nc(C3CC3)cc(C(=O)NCCS(C)(=O)=O)c12 89567441 QZWLJAAADBPTHH-UHFFFAOYSA-N 323.374 1.183 0 40 DDAB Cn1ncc(N[C@H]2CCCC[C@H]2CO)c(Br)c1=O 76065119 PALYHOJUSFVVIG-IUCAKERBSA-N 316.199 1.506 0 40 DDAB Cc1cccc2c(CCNC(=O)NCC[S@](C)=O)c[nH]c12 76088468 QXNYJMFIRMOEJT-OAQYLSRUSA-N 307.419 1.697 0 40 DDAB CCc1nc(CN2CCO[C@H](CNc3cccnn3)C2)cs1 76049804 SQPSDAACGMDPDK-CYBMUJFWSA-N 319.434 1.808 0 40 DDAB O=C(NCC1CCN(C2CC2)CC1)c1cc(O)nc(C2CC2)n1 520836668 VLDGBEIGENVWGW-UHFFFAOYSA-N 316.405 1.664 0 40 DDAB CCC[C@H]1C[C@H](C(=O)NS(=O)(=O)CC(F)(F)F)CCO1 408391829 FITYVKBRKONINM-BDAKNGLRSA-N 317.329 1.590 0 40 DDAB Cc1cc(C)cc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1 217391999 JRUXRABVDAAMKD-UHFFFAOYSA-N 302.330 1.901 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@@H]1c1ccc(Cl)cc1 72241427 FGZMPPKWRJUWIE-GJZGRUSLSA-N 322.792 1.861 0 40 DDAB COc1cccc2cc(C(=O)NCCCN3CCOCC3)oc12 13686586 AHQYIXRDMQEPGR-UHFFFAOYSA-N 318.373 1.894 0 40 DDAB biogenic COc1cc(C)n(CCNC(=O)c2scnc2C)c(=O)c1 238972859 ZOSRNHPRRYLDKO-UHFFFAOYSA-N 307.375 1.360 0 40 DDAB O=C(O)CN1N=C(c2nc(-c3ccc(F)cc3)no2)CCC1=O 72265061 MAPATKQFCCNIAX-UHFFFAOYSA-N 318.264 1.287 0 40 DDAB CCCC(=O)Nc1cccc(N2C[C@@H](C(=O)OC)CC2=O)c1 45953960 RGBBDYUEKHFUCX-NSHDSACASA-N 304.346 1.951 0 40 DDAB COC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1CC(C)C 48311649 YIZQMSZGYSVWAI-SECBINFHSA-N 314.411 1.006 0 40 DDAB COC(=O)c1sccc1CN1CCN(C2CCOCC2)CC1 88537471 UZCHXBUPEQFVRO-UHFFFAOYSA-N 324.446 1.831 0 40 DDAB CCOCCC(=O)NS(=O)(=O)Cc1cccc(Cl)c1 225666315 JRDRPBNCYGJFJN-UHFFFAOYSA-N 305.783 1.713 0 40 DDAB COc1ccccc1CNC(=O)COc1c(C)n(C)ccc1=O 44900434 CSLKKWDHSCDIJH-UHFFFAOYSA-N 316.357 1.398 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccccc1OC 40488303 NYNVKFQJJYOTKZ-IUODEOHRSA-N 307.346 1.706 0 40 DDAB CN(Cc1ncc(C=O)cn1)S(=O)(=O)c1ccc(F)cc1 49468325 MVZINEGKHDAMPB-UHFFFAOYSA-N 309.322 1.249 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Nc1cccc(F)c1 96081232 MRCIYCQHYTUKFG-UONOGXRCSA-N 321.352 1.679 0 40 DDAB COCCNC(=O)[C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 96041128 BDAZUQUWOGFPIL-SOUVJXGZSA-N 324.446 1.348 0 40 DDAB CC(C)(C)OC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 95869874 CMLRAMXYITUETH-CQSZACIVSA-N 320.389 1.939 0 40 DDAB Cc1oncc1C(=O)N1CC[C@@H]2[C@H]1CCN2Cc1ccccn1 96038573 OYKINQLXDCGYQC-HZPDHXFCSA-N 312.373 1.867 0 40 DDAB CN(C(=O)COC1CCCC1)C1CCN(C[C@H]2CCOC2)CC1 96411748 PEUDFLKDLBTDBT-OAHLLOKOSA-N 324.465 1.905 0 40 DDAB c1cncc(N2CCOC[C@@]3(CN(CC4CC4)CCO3)C2)c1 96049860 ACEOKEDVNBIGHT-QGZVFWFLSA-N 303.406 1.399 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96218763 IRVIHKDYQYJPFA-BLLLJJGKSA-N 314.345 1.257 0 40 DDAB COC(=O)c1sccc1Cn1cnc2c(cnn2C)c1=O 96465904 QEZUTQYAHKCBAB-UHFFFAOYSA-N 304.331 1.026 0 40 DDAB COc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)nn1 96414358 MJMMDEGATSQFNB-GFCCVEGCSA-N 314.389 1.912 0 40 DDAB CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 96066338 LRAOEERSVIJOJK-QLFBSQMISA-N 306.362 1.169 0 40 DDAB O=C(CCc1ccc(Br)cc1)NCCc1nc[nH]n1 96452100 DBVIPIUVLGWVOD-UHFFFAOYSA-N 323.194 1.859 0 40 DDAB CC(C)CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2cccnc2)C1 96253311 CEFQRSJFTNYCGW-OWCLPIDISA-N 303.406 1.443 0 40 DDAB COc1cccc(CC(=O)N2CC[C@H](OC)[C@H]3OCC[C@@H]32)c1 96217802 XNXNYBIYRZBGKS-ZOBUZTSGSA-N 305.374 1.643 0 40 DDAB Cc1nnc(C[C@@H]2COC[C@H]3CN(C(=O)C4=CCCC4)C[C@@H]23)o1 96065293 OEZSLINSUOPXSZ-KFWWJZLASA-N 317.389 1.752 0 40 DDAB Cc1cc(C(=O)Nc2nc(C3CC3)n[nH]2)c2c(C)nn(C)c2n1 95480660 AZCKGCNEHSKXEH-UHFFFAOYSA-N 311.349 1.833 0 40 DDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2c(c1)OCO2 257260813 LEMMAGMATPTRAY-XJKCOSOUSA-N 318.373 1.133 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1F 257259746 KZUFXRZOLSYLRT-CJNGLKHVSA-N 322.380 1.624 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)nc(O)n1 257300421 RUEJYRSETJHWRC-NSHDSACASA-N 301.350 1.542 0 40 DDAB Cc1nc(C(=O)NC2CCOCC2)cc([C@H]2CCCNC2)n1 257305618 SQUNTSQSTXHWAU-LBPRGKRZSA-N 304.394 1.161 0 40 DDAB C[C@@H](C[C@@H]1COCCN1)Nc1cccc(N2CCCC2=O)c1 262348583 VAWZQRCOMPPLID-DZGCQCFKSA-N 303.406 1.992 0 40 DDAB Cc1cc(C(=O)O)cc(C(=O)NCC(=O)N2CCCCC2)c1 263051812 DZKVQVJQCOANKK-UHFFFAOYSA-N 304.346 1.436 0 40 DDAB CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cccc(F)c1F 287392110 DAKAXHDGSDBULU-WCBMZHEXSA-N 319.329 1.839 0 40 DDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 575405969 LMGMZBZJHHPRIA-OAHLLOKOSA-N 318.421 1.825 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cncc(C)n1)[C@@H]2C 585098079 TWWWJDPUIRRDMS-GFCCVEGCSA-N 302.382 1.490 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cscn2)CC1 43611495 RJAJXTGZTZYTHO-HNNXBMFYSA-N 316.430 1.487 0 40 DDAB C[C@H]1CN(C(=O)CCNC(=O)Nc2cccnc2)C[C@@H](C)O1 44972818 SNLDBEXTZWQUCE-TXEJJXNPSA-N 306.366 1.229 0 40 DDAB COc1cccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 54994031 HESHSQSDDDFGAU-MRXNPFEDSA-N 318.417 1.766 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@]1(O)CCCc2occc21 1565522202 VJFQWENZUZHRGZ-INIZCTEOSA-N 303.362 1.584 0 40 DDAB O=C(CN1CCC[C@H]1CN1CCC[C@@H]1CO)Nc1ccccc1 75094061 PBLFCFWGCZXDNN-DLBZAZTESA-N 317.433 1.546 0 40 DDAB CC(C)C[C@H](CO)NC(=O)C[C@@H](O)CC(=O)Cc1ccccc1 39559798 AZUKRZGSIRBRCH-WBVHZDCISA-N 321.417 1.463 0 40 DDAB biogenic,in-vitro CN(CCS(C)(=O)=O)C[C@H]1CCN(Cc2ccccc2)C1 76110212 AEBBCAPQNHBZOZ-MRXNPFEDSA-N 310.463 1.485 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cn(C)cn2)CCO1 1615143054 XLHWAXDJCHHBHN-SFHVURJKSA-N 315.417 1.535 0 40 DDAB COC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 5022324 VKGDSWIUWGQBCA-UHFFFAOYSA-N 307.346 1.729 0 40 DDAB COc1cc(C2=NO[C@H](C(=O)NC(C)C)C2)cc(OC)c1OC 5031080 NUDWFTDMTQMHPE-AWEZNQCLSA-N 322.361 1.730 0 40 DDAB C[C@H](O)CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12220733 YYXIPKUBWCHDDG-LBPRGKRZSA-N 316.405 1.287 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 13249189 MECMQLWVVHXMPU-CHWSQXEVSA-N 302.330 1.652 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 14352278 XWMLTSCNAVPHBL-BETUJISGSA-N 315.377 1.546 0 40 DDAB CCn1ccc(C(=O)N2CCC[C@@]2(C)C(=O)NC2CCCC2)n1 19746506 MKZLIYKSIJDCDF-KRWDZBQOSA-N 318.421 1.957 0 40 DDAB Cc1ccc(NC(=O)CNCCCO)c(Br)c1 3338974 ZNMXBDGWWYOMND-UHFFFAOYSA-N 301.184 1.668 0 40 DDAB CCc1cnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)nc1 1888850359 VQQVZNGBQYHSAC-CQSZACIVSA-N 320.462 1.831 0 40 DDAB Fc1ccc(OC[C@@H]2CCN(c3ccc4nncn4n3)C2)nc1 1889139423 PXONMVWEOFOVNC-LLVKDONJSA-N 314.324 1.564 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccn(C)c1=O)C2 1565547371 ORASEIGBZGYTRB-YOEHRIQHSA-N 320.389 1.043 0 40 DDAB CC(C)CC(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738883 XPOQRQGJBQCARY-GFCCVEGCSA-N 319.405 1.930 0 40 DDAB O=C(c1cccc(Cl)n1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772312 VEQSVNLDRMMSAB-NEPJUHHUSA-N 319.792 1.675 0 40 DDAB O=C(NC1CCC1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713596 MGOWMOOMMGSYHC-GFCCVEGCSA-N 316.405 1.350 0 40 DDAB Cc1cc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)no1 2055772509 OTBZSNVCDKFQLT-MRXNPFEDSA-N 317.393 1.259 0 40 DDAB O=c1ccc(-c2ccccc2)nn1C1CN(c2ccncn2)C1 1775972440 GMAFAGZBMWKRJZ-UHFFFAOYSA-N 305.341 1.762 0 40 DDAB c1ccc(CN2C[C@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]3C2)cc1 1775974837 SNEBCRJWHMBQOU-GJZGRUSLSA-N 320.400 1.921 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1C 23241941 CPHQSKLTVOQTEL-UHFFFAOYSA-N 321.402 1.229 0 40 DDAB C[C@H]1CN(c2cc(C3CC3)ncn2)CCN1Cc1cnn(C)c1 2298029948 DAKVLMZVGWMSKA-ZDUSSCGKSA-N 312.421 1.798 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCCc2cccs2)C1=O 20051516 BTBDMBNVELCKHI-GFCCVEGCSA-N 323.418 1.373 0 40 DDAB Cc1cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)on1 40477372 NSERFUZFMRGWCY-CYBMUJFWSA-N 319.361 1.688 0 40 DDAB COc1ccc(-c2noc(CN3CCCC[C@@H]3C(N)=O)n2)cc1 40465862 LZJIDFROPBGTDJ-CYBMUJFWSA-N 316.361 1.585 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100642678 YCXQFNKUNUIKKV-GQVCCSCVSA-N 317.341 1.840 0 40 DDAB O=C(c1cnccn1)N1CCC(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101543645 SRFBROGITJTVKI-SOUVJXGZSA-N 312.417 1.883 0 40 DDAB CN(C)CCCNc1c(NCCc2ccccc2)c(=O)c1=O 101674911 SPXBGOJBFKPAFV-UHFFFAOYSA-N 301.390 1.301 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(c2nc3ccccc3o2)C1 52049193 DPWVAYXVOQXNBM-LLVKDONJSA-N 309.391 1.593 0 40 DDAB Cc1ccccc1[C@H](CC(=O)/N=c1\sccn1C)NC(N)=O 102396953 XNYPYOOSYKNYEQ-ZNZSVTJWSA-N 318.402 1.622 0 40 DDAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc[nH]1 21637909 PNGSNCVJLHHSOQ-NSHDSACASA-N 316.313 1.382 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N2[C@H](C)CCC[C@H]2C)c1 32958211 GRKRYBHEQFAYMY-VXGBXAGGSA-N 320.389 1.962 0 40 DDAB Cc1nc(C)c2c(C)c(C(=O)NCC(=O)NC3CC3)sc2n1 32902091 NJXNOUAKLLCJMN-UHFFFAOYSA-N 318.402 1.625 0 40 DDAB CCn1cc(CNC(=O)c2nn3cccnc3c2Cl)cn1 2793690 ICTOYJAGICDKIF-UHFFFAOYSA-N 304.741 1.529 0 40 DDAB O=C(CSc1nc2ncccn2n1)Nc1ccccc1F 8851985 RHEIRNJTBREZPZ-UHFFFAOYSA-N 303.322 1.994 0 40 DDAB COC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1 811687 FXPINHWEUHGXAI-UHFFFAOYSA-N 317.322 1.822 0 40 DDAB Cc1cc(C(=O)O)c2c(C)nn(CC(=O)NC3CCCC3)c2n1 12396201 DVMSLNCYKAXLGJ-UHFFFAOYSA-N 316.361 1.805 0 40 DDAB Cc1cnc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 47288769 OHUNUSHRYHILRQ-UHFFFAOYSA-N 312.377 1.343 0 40 DDAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)NC(N)=O 3520657 GDFKFQPJPZFSPZ-BYPYZUCNSA-N 320.132 1.316 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6537089 QKFVFXPSQXCSJY-KDDQHCCQSA-N 308.359 1.532 0 40 DDAB COC(=O)N1CCC[C@@H](C(=O)Nc2ccc3[nH]ncc3c2)C1 104235353 HRLWCNPCADXHMF-SNVBAGLBSA-N 302.334 1.980 0 40 DDAB Cc1c(C(=O)NCc2ccccn2)sc2nc[nH]c(=O)c12 61720278 FHMBPOBXIPCSFZ-UHFFFAOYSA-N 300.343 1.618 0 40 DDAB CCN(CC)c1ccc(N2C(=O)N[C@H]3CS(=O)(=O)C[C@H]32)cc1 54005050 RKRJQOPSYMMUFX-UONOGXRCSA-N 323.418 1.228 0 40 DDAB C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC[C@@H](C(N)=O)C1 12525008 TVGULLINNCHXAV-CHWSQXEVSA-N 318.421 1.277 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)N1CCCCC1)OCC(=O)N2 8588775 UYPKYWWJTNIEGA-UHFFFAOYSA-N 310.375 1.501 0 40 DDAB CCOC(=O)/C=C1/SCC(=O)N1C[C@H](O)c1ccccc1 105779643 FTCFLGMLZBXRDL-ACLQVGRQSA-N 307.371 1.700 0 40 DDAB NC(=O)CN1CCC(NC(=O)CCCC2CCCCC2)CC1 25518198 CTQRWAWXBQBJEC-UHFFFAOYSA-N 309.454 1.803 0 40 DDAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCNC(=O)C1 57030318 VWPCBONXGKBQOR-ZDUSSCGKSA-N 302.374 1.464 0 40 DDAB CCN(CC)S(=O)(=O)NCC1(N(C)C)CCCCCC1 26957172 NCNHMWZSUUJYDX-UHFFFAOYSA-N 305.488 1.817 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)CCCc3cccs3)CC2)N1 21473240 KWMYYKQTEHJYPV-UHFFFAOYSA-N 321.402 1.271 0 40 DDAB C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)N(C)C 58215154 YHTWEPXLMBMDFQ-JTQLQIEISA-N 320.780 1.732 0 40 DDAB O=C(NC1CCN(C(=O)COCC2CC2)CC1)c1cccnc1 58292151 LLJSSLHYJKPMDM-UHFFFAOYSA-N 317.389 1.229 0 40 DDAB O=C1NC(=O)[C@H]2[C@@H]1ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 101268050 JUKBZYJIJXCWLX-KFWWJZLASA-N 312.300 1.960 0 40 DDAB CC(=O)N1CCCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 44966386 NQLHCYLQTJUSRH-AWEZNQCLSA-N 322.409 1.146 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C 44935890 PQBRVXPIABIMNW-ZDUSSCGKSA-N 323.418 1.957 0 40 DDAB CN1CC[C@@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)CC1=O 45070023 UZTZVUMOXZEQJK-LLVKDONJSA-N 300.362 1.390 0 40 DDAB Cc1cc(C)nc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 3310584 SLEKEGBFHPXGSJ-UHFFFAOYSA-N 316.386 1.923 0 40 DDAB CCOCCCNS(=O)(=O)c1cccc(C(=O)OC)c1 24260225 AJNKFPJBFODMFA-UHFFFAOYSA-N 301.364 1.178 0 40 DDAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C(N)=O)n(C)n1 11190231 KBGMEAPCSJPWGV-UHFFFAOYSA-N 322.752 1.498 0 40 DDAB Cc1csc([C@H]2CN(c3ncnc4c3cnn4C)CCO2)n1 65465945 BKIQTCKBXZGBHF-LLVKDONJSA-N 316.390 1.706 0 40 DDAB CCOC(=O)NCC(=O)NCc1ccc(Cn2ccnc2)cc1 48374726 UIRTXNYNNPSMDV-UHFFFAOYSA-N 316.361 1.294 0 40 DDAB Cc1nc(CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cs1 29782857 AJHGKJCDWJGAQV-LBPRGKRZSA-N 309.435 1.615 0 40 DDAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCCCC1 11996813 UPTJVQMNTOJNFY-UHFFFAOYSA-N 322.386 1.379 0 40 DDAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)OCO2 2648634 IWJLSQVXLFJXOP-UHFFFAOYSA-N 315.281 1.916 0 40 DDAB CCN(CC)C(=O)CN1CCCN(Cc2c(C)noc2C)CC1 46531283 YVXSTJDCJOLQSM-UHFFFAOYSA-N 322.453 1.668 0 40 DDAB CCCN(C(=O)COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 8916602 JRJDSZUXUNFOOT-CYBMUJFWSA-N 311.403 1.491 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](C(=O)O)C1 13170973 QMEZISSVZNZBIY-SNVBAGLBSA-N 311.359 1.027 0 40 DDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cnn(C)c1 71280497 RPGSWBMVLBBSPH-LLVKDONJSA-N 317.349 1.612 0 40 DDAB O=C(CCC(=O)N1CCCC1)NCc1ccc2c(c1)OCO2 13943796 OFGCRTLFGXUUMP-UHFFFAOYSA-N 304.346 1.434 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1 14093243 LDXXDVCCIGJVSB-RYUDHWBXSA-N 315.373 1.492 0 40 DDAB O=C(NCCC(=O)N1CCCN2CCC[C@H]2C1)c1ccccc1 65586971 JZFDRXZNFWRZTG-INIZCTEOSA-N 315.417 1.503 0 40 DDAB COc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@H](C)O2 65615071 NZOVAIAKNRYKNW-BLLLJJGKSA-N 306.406 1.439 0 40 DDAB Nc1c(C(=O)NCc2cccs2)nnn1Cc1ccccc1 4852187 WUPIHWOFQWMKSU-UHFFFAOYSA-N 313.386 1.900 0 40 DDAB COc1ccc(CCNC(=O)CSc2nncn2C)cc1 5863600 SEXRTGOAXXLTEN-UHFFFAOYSA-N 306.391 1.275 0 40 DDAB NC(=O)NC(=O)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 6923380 UPSGBPAWUJTTMV-CQSZACIVSA-N 313.313 1.763 0 40 DDAB CCN(CC)CCN[C@H](CC(=O)Nc1cccc(O)c1)C(=O)O 22791757 DSQDIQSLFMJQCT-CQSZACIVSA-N 323.393 1.105 0 40 DDAB Cc1cc(C(=O)OCC(=O)N(C)C)c(C)n1Cc1ccco1 8393916 OMFMKSGWFLCVLF-UHFFFAOYSA-N 304.346 1.991 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@H]1Cc3ccccc3O1)C2 71860192 BJWQAHYFQWBLDI-MRXNPFEDSA-N 324.384 1.431 0 40 DDAB COc1ccnc(N2CCN(C[C@H]3CCCCN3C)CC2)n1 69738811 VROQCVZNSWMTAI-CQSZACIVSA-N 305.426 1.092 0 40 DDAB Cc1ccc(CNC(=O)CN2CCCC[C@H]2[C@@H](C)O)cc1F 69700943 RNMDKAHOLZWLRU-CJNGLKHVSA-N 308.397 1.986 0 40 DDAB O=C(CCc1ccccn1)N1CCC[C@@H](N2CCNC2=O)C1 71842094 ANBFOYHXHFGJSE-CQSZACIVSA-N 302.378 1.030 0 40 DDAB Cc1nc(C(=O)N(CCC(N)=O)Cc2ccccc2)cs1 71832978 OLKMFWJRGXFUQN-UHFFFAOYSA-N 303.387 1.969 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1C 71847107 VYXXVJDUHGAEDX-CYBMUJFWSA-N 315.377 1.903 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](Cn2cncn2)C1 69848218 VKDYBWXCWWYBJK-RYUDHWBXSA-N 320.422 1.474 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C2CC2)C1 69879878 YLZJUKNDZOEGNX-VXGBXAGGSA-N 311.426 1.500 0 40 DDAB O=C(O)/C=C/C(=O)N1CCN(c2nc3ccccc3s2)CC1 18190987 MDNCHNIZLGPSDS-AATRIKPKSA-N 317.370 1.586 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(C)ccc2OC)CC1 69951560 ZEFQUERGBADOJV-CQSZACIVSA-N 306.406 1.532 0 40 DDAB CCc1nnc(NC(=O)Cc2c(C)nc3ncnn3c2C)s1 8749776 SMRVTUAMMGIFKL-UHFFFAOYSA-N 317.378 1.336 0 40 DDAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)OCC(=O)NC(N)=O 71922212 VYGRYTFUMAFRRU-NSHDSACASA-N 321.377 1.803 0 40 DDAB NC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CCCCC1 96998702 GVZAASGPMMQOEH-UHFFFAOYSA-N 303.406 1.702 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 72299551 BWOWQXWVGXJRSS-HNNXBMFYSA-N 312.373 1.816 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1cc(C)nc(N)n1 72268325 RGFGXBTWSWCZPT-STQMWFEESA-N 303.410 1.737 0 40 DDAB CS(=O)(=O)CCCN1CCO[C@@]2(CCc3ccccc32)C1 95435453 ZTKNQXVDAKUYFQ-INIZCTEOSA-N 309.431 1.595 0 40 DDAB CC(C)n1cnnc1CCNC(=O)CN1Cc2ccccc2C1 95432754 FKXFHPARJHBNST-UHFFFAOYSA-N 313.405 1.534 0 40 DDAB CN1C(=O)C[C@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1 95440517 ARBXGIDPMJKZHN-HOCLYGCPSA-N 313.332 1.923 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)NCc1ccncc1 95437132 XJKKAQXFLNIUEQ-UHFFFAOYSA-N 301.394 1.939 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cn2cnnn2)cc1 98014106 XGWHDXYSLIUXDG-HOCLYGCPSA-N 315.377 1.266 0 40 DDAB CCCCCS(=O)(=O)N[C@H]1CCN(c2ncccc2F)C1 95939986 LVPIQTJFEZMADJ-LBPRGKRZSA-N 315.414 1.909 0 40 DDAB CC[C@H](NC(=O)N[C@H](CO)c1ccccc1)c1noc(C)n1 95995090 SDWQTIWUVOSJCQ-QWHCGFSZSA-N 304.350 1.862 0 40 DDAB CN(C)C[C@H]1CN(CC(=O)N(C)Cc2cccc(F)c2)CCO1 75133149 VMOMKYNUJPDTCI-INIZCTEOSA-N 323.412 1.047 0 40 DDAB COc1cccc(C(N)=O)c1OCc1nsc(N(C)C)n1 89722165 ZDWIYBGTZHKZHU-UHFFFAOYSA-N 308.363 1.291 0 40 DDAB C[C@H](CC(=O)c1ccccc1)NC(=O)CNC(=O)C(C)(C)C 89894621 TZZBDMSRPNVRGN-GFCCVEGCSA-N 304.390 1.926 0 40 DDAB Cc1nc([C@H]2CCCN2Cc2cccc(OCC(N)=O)c2)no1 75573093 ASQOGPFFUYIAGW-CQSZACIVSA-N 316.361 1.579 0 40 DDAB O=C(NCCNc1ccc2ccccc2n1)c1ccc(=O)[nH]c1 76083598 SDKHMTYROODDSB-UHFFFAOYSA-N 308.341 1.765 0 40 DDAB CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)NC(=O)c1ccoc1 76017354 JSFIIZFDUKPYRA-JSGCOSHPSA-N 307.394 1.389 0 40 DDAB O=C(CCSc1ccccc1F)N1CC[C@H](c2nn[nH]n2)C1 1548499920 ZPCRETFHQGPEKH-JTQLQIEISA-N 321.381 1.837 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccsc1 56906438 XZFRANPRDOEARX-NSHDSACASA-N 310.400 1.276 0 40 DDAB O=C(CCn1cnnn1)Nc1nc(-c2cccnc2)cs1 524734985 WYUAOXNYPIBBAV-UHFFFAOYSA-N 301.335 1.220 0 40 DDAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1nccs1 524733975 JUKPGSFALMVCEP-SECBINFHSA-N 306.376 1.809 0 40 DDAB Cc1cc(=O)[nH]c(C2CCN(C(=O)c3cncs3)CC2)n1 72368410 VRLVQFGNRGHGKG-UHFFFAOYSA-N 304.375 1.555 0 40 DDAB O=C(NCc1nnc2ccccn12)c1c[nH]c2ccccc2c1=O 32702482 PXVNXYDMMADXHM-UHFFFAOYSA-N 319.324 1.501 0 40 DDAB Cn1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)cn1 71195636 GLQVIJYSQCXAJD-AWEZNQCLSA-N 322.372 1.808 0 40 DDAB C[C@@H](CNC(=O)c1nc2ncccn2n1)Cn1cc(Cl)cn1 36618763 NMOSUTVWUAOSEA-VIFPVBQESA-N 319.756 1.040 0 40 DDAB CCN1CCN(C(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)CC1 35263999 HEXQNRLQKJKWSF-INIZCTEOSA-N 323.481 1.872 0 40 DDAB O=C(NCC1(O)CCOCC1)c1cc(Br)cs1 174811143 CSQFZKVODZAISE-UHFFFAOYSA-N 320.208 1.782 0 40 DDAB CCOC(=O)c1ccc(Sc2nnc(CC)n2N)c(N)c1 70462367 GVRQVYZSRBGVRG-UHFFFAOYSA-N 307.379 1.464 0 40 DDAB CCOC(=O)[C@@H](N)[C@@]1(N2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350513 SWNZLWUXFFBWHH-DACLVMHWSA-N 324.465 1.794 0 40 DDAB COc1ccc(F)cc1NC(=O)N[C@H]1CCc2ncnn2C1 133360366 PPXSYIGSDBKFCV-JTQLQIEISA-N 305.313 1.562 0 40 DDAB COc1cccc(CNC(=O)c2nnc3ccc(OC)cc3n2)c1 46088273 HLVPOCPZKWQVMP-UHFFFAOYSA-N 324.340 1.972 0 40 DDAB Cc1nn(C)c(C)c1CN1CCC(c2nc(N(C)C)no2)CC1 190978827 IHYGUYJFZMRHEH-UHFFFAOYSA-N 318.425 1.866 0 40 DDAB OC[C@H]1CCC2(CCOCC2)CN1C[C@H](O)Cc1ccccc1 528645081 MZHRJGGDFBNWGZ-QZTJIDSGSA-N 319.445 1.844 0 40 DDAB CC(C)C[C@@H](C)CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 225570551 WTKJHVSECFMPQZ-MNOVXSKESA-N 304.412 1.024 0 40 DDAB Cn1cnn(Cc2cccc(NC(=O)OC(C)(C)C)c2)c1=O 96492847 XDSIYHVPUPYJPQ-UHFFFAOYSA-N 304.350 1.977 0 40 DDAB O=C(NC1CC1)N1CC[C@H]2[C@H](CO[C@@H]2CNc2ncccn2)C1 96185395 IVBQFQLKRQMRDS-FPMFFAJLSA-N 317.393 1.097 0 40 DDAB CS(=O)(=O)CCOCCNc1ccc(Br)cn1 96429662 KQWLOEOTQRWKMY-UHFFFAOYSA-N 323.212 1.317 0 40 DDAB O=C(COc1cccc(-n2cnnc2)c1)NCCc1ccncc1 95472897 LQXHSCGIKFHITE-UHFFFAOYSA-N 323.356 1.400 0 40 DDAB O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccncc1F 96483099 YPIINGJPOPTLPM-NSHDSACASA-N 314.320 1.260 0 40 DDAB Cc1ccc(N[C@H]2CO[C@@]3(CCN(C(=O)CC4CC4)C3)C2)nn1 96219570 VLLFNHNZKUKHDG-PBHICJAKSA-N 316.405 1.757 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@@H]21 96043463 GFZUVEBDHOYXOP-BZUAXINKSA-N 303.406 1.363 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H]1CN(C)CCN1C 96449562 AOOYNOOEPMDWOA-DZGCQCFKSA-N 323.412 1.345 0 40 DDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)C1CC1)COC3 96112577 SJUXGILGKOVWQN-NSHDSACASA-N 301.346 1.642 0 40 DDAB biogenic,in-vitro COc1ncc(NC(=O)[C@H](C)Oc2ccccc2)c(OC)n1 96121356 YQCBXZGEMJNNHN-JTQLQIEISA-N 303.318 1.900 0 40 DDAB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)C1CC1 96520061 GXDJWTBCNJZJKG-WDSKDSINSA-N 324.567 1.130 0 40 DDAB O=C(NCCO)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 97074676 JBPVLJUPRIOKRU-UHFFFAOYSA-N 310.659 1.406 0 40 DDAB COCCC(=O)N1CCC2(CC[C@@H](COCC3CC3)N2C)CC1 96208564 BRHRMCVLVRZMPP-INIZCTEOSA-N 324.465 1.905 0 40 DDAB CC[C@@H](C(=O)O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 248811487 CGIPNNKLNKWTMQ-ZFWWWQNUSA-N 304.390 1.992 0 40 DDAB Cc1cc(C2CCN(C(=O)c3c[nH]cn3)CC2)nc2ccnn12 257241837 HZVHOXIIXBQGDA-UHFFFAOYSA-N 310.361 1.781 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CC2)OCCC[C@H]3O)cc1 257339833 ZDJZKQSTQYZRMB-MRXNPFEDSA-N 319.401 1.770 0 40 DDAB COc1ccc2[nH]c(CN3C[C@H](O)[C@]4(CCCO4)C3)cc2c1 257270475 MUIZOVOEHPJGEQ-IRXDYDNUSA-N 302.374 1.902 0 40 DDAB Cc1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](N(C)C)CC1 257257363 KPGDVGCFSNALRR-KBPBESRZSA-N 312.435 1.071 0 40 DDAB O=c1/c(=C/Nc2cccc(C(F)(F)F)c2)sc2ncnn12 256055546 KOGLRIJVXQXKCH-UITAMQMPSA-N 312.276 1.739 0 40 DDAB CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257252429 JUTDSUOJUNMADB-CKEIUWERSA-N 321.417 1.753 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccc1C 257211120 BXODSFVFANYEEY-SFHVURJKSA-N 324.384 1.663 0 40 DDAB CNC(=O)CN1CCC(Nc2ncnc3ccsc23)CC1 25579937 XMAOCQUODKIHAR-UHFFFAOYSA-N 305.407 1.314 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ncc[nH]1 585287706 BRGNQOGIMJVLPE-MEDUHNTESA-N 320.393 1.088 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1Cc1ccc(Cl)cn1 585276790 JBHYHAWFGZJBHB-HNNXBMFYSA-N 311.813 1.852 0 40 DDAB COCCN1CCC(c2cccc(N3CCOC3=O)n2)CC1 585178804 MNJBRVJJDTVQBX-UHFFFAOYSA-N 305.378 1.864 0 40 DDAB Cc1nc(CN2CCC[C@@H](NCC3(O)CCCCC3)C2)no1 72253923 PLZJOMURBATUQG-CQSZACIVSA-N 308.426 1.627 0 40 DDAB Cc1cccc(OC[C@@H]2CCCN(Cc3ncnn3C)C2)n1 1776000513 MBUHJZQDQWPGBP-CQSZACIVSA-N 301.394 1.810 0 40 DDAB COc1ccccc1C(=O)N1CCCN(c2ncccn2)CC1 57142347 FHKANWCDNRDUJO-UHFFFAOYSA-N 312.373 1.838 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)[C@@H]1CO 89929852 JDMFVJDXOOBEKU-BXKDBHETSA-N 305.346 1.746 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)O)C1 92181291 HKXGCBBOIKNYDU-GXSJLCMTSA-N 315.778 1.956 0 40 DDAB CCn1cc(CC(=O)N[C@@H]2CNC[C@H]2OC)c2ccccc21 1548448085 KULGZQPDDQOFNC-GDBMZVCRSA-N 301.390 1.307 0 40 DDAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccco2)n1C 5862125 BSRIPUDJGVXNSL-UHFFFAOYSA-N 323.378 1.401 0 40 DDAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2S(C)(=O)=O)cc1 12085391 VBDMHRJWICNVNA-YWPYICTPSA-N 311.403 1.887 0 40 DDAB CCn1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12114169 VOZKQVMXCFWDRO-UHFFFAOYSA-N 301.281 1.045 0 40 DDAB COc1ccc2[nH]cc(NC(=O)N3CCN(C)CC3)c(=O)c2c1 13565898 WYCMAWUGARSAEC-UHFFFAOYSA-N 316.361 1.316 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)CC1=O 16552499 KWZWGXHNKOEAJV-GUTXKFCHSA-N 316.401 1.848 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)o1 19748139 IISRVIZNUIXVRX-CYBMUJFWSA-N 305.378 1.766 0 40 DDAB CNC(=O)CC1CCN(C(=O)c2cnn3cc(C)cnc23)CC1 19748423 SIZNRZWYIPBLSZ-UHFFFAOYSA-N 315.377 1.026 0 40 DDAB COC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2cnccn2)CC1 19749792 YTAKSBIHBUAMKL-LBPRGKRZSA-N 320.393 1.013 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCC[C@H](Oc3cnccn3)C2)C1 225469288 SNFWVMFIPDNKIV-KGLIPLIRSA-N 304.394 1.188 0 40 DDAB Cc1cnc(NC(=O)c2cccnc2N2CCOCC2)s1 26716548 YGBRYHYNVUTGLX-UHFFFAOYSA-N 304.375 1.935 0 40 DDAB Cc1ccc(N2CC(N(C)C(=O)Cc3ccc(F)cc3)C2)nn1 1888856703 BTAMUPWEHPTOLY-UHFFFAOYSA-N 314.364 1.814 0 40 DDAB CSCC[C@H](NC(=O)NCc1ccccc1F)C(=O)O 2198778 SBEHVURDIZQOPO-NSHDSACASA-N 300.355 1.831 0 40 DDAB C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1 3994812 DNZVDSXVCHUOFL-CYBMUJFWSA-N 315.377 1.128 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccsc1 24678935 RPGMHGFGWXSCEA-LLVKDONJSA-N 302.421 1.292 0 40 DDAB C[C@]1(C(=O)N2CC[C@H]3CN(S(C)(=O)=O)C[C@H]32)CC=CCC1 1565544827 RTZQQKLXQZXWPV-GUTXKFCHSA-N 312.435 1.225 0 40 DDAB CC[C@H](CO)NC[C@@H](O)COc1ccc(Br)cc1 4279519 XZFZTQNLGWYNFV-VXGBXAGGSA-N 318.211 1.549 0 40 DDAB O=C(NCc1ccccn1)N[C@H]1CC(=O)N(c2ccccc2)C1 4272555 OUKBQWDWEKCTHD-AWEZNQCLSA-N 310.357 1.686 0 40 DDAB O=c1[nH]c(SCc2ccccc2F)nc2c1cnn2CCO 7418070 PDFARWCTTOCUCO-UHFFFAOYSA-N 320.349 1.543 0 40 DDAB Fc1cnc(N2CCC(Oc3ccn4nccc4n3)CC2)nc1 2298212759 FRISJXFOLFUMOT-UHFFFAOYSA-N 314.324 1.706 0 40 DDAB CNC(=O)COc1cccc(NC(=O)c2ccc(C)n2C)c1 31521033 PKNYXSMIVGDXJW-UHFFFAOYSA-N 301.346 1.711 0 40 DDAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 31610556 BBXFXJXEUMLJMG-LLVKDONJSA-N 321.402 1.141 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)no1 40539930 FXMZVELEYZYSGS-SECBINFHSA-N 312.322 1.923 0 40 DDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3C[C@@H]3C)c(C)c12 40523811 ALQUNMMXRMZLQZ-CABZTGNLSA-N 316.405 1.583 0 40 DDAB CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(C)(C1)C2=O 356333 KSALKIAWKCTJNV-UHFFFAOYSA-N 308.422 1.853 0 40 DDAB biogenic CC(C)(C)c1nc(CN2CCC(N3CCNC3=O)CC2)no1 52217135 HVFJVAVSSYCUKC-UHFFFAOYSA-N 307.398 1.357 0 40 DDAB CCCNC(=O)[C@H](C)SCc1nnnn1-c1ccccc1 32772118 AOZYJUQXVPZCDX-NSHDSACASA-N 305.407 1.810 0 40 DDAB NC(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 21465753 MPBMJKGDYQKSDU-UHFFFAOYSA-N 319.338 1.828 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 32879286 HIRLKHFTDPWWSF-UHFFFAOYSA-N 314.773 1.296 0 40 DDAB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1C 102698956 NHJANZCEOVQITH-BETUJISGSA-N 300.358 1.776 0 40 DDAB O=C(CSc1nnc(-c2cccnc2)o1)N1CCOCC1 412397 RSNDTENVLJGVEL-UHFFFAOYSA-N 306.347 1.083 0 40 DDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(O)c1 65541 RMKMDGQWGUBLPS-CYBMUJFWSA-N 300.318 1.836 0 40 DDAB Cn1cc(CCNC(=O)NC[C@@H]2Cc3ccccc3O2)cn1 46875781 YTYVPAJZWVHAFA-AWEZNQCLSA-N 300.362 1.266 0 40 DDAB C[C@H](NC(=O)Nc1cn[nH]c1)c1ccc2c(c1)NC(=O)CO2 46974833 GLAKZBMDHFIISX-QMMMGPOBSA-N 301.306 1.623 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(=O)[nH]c1 33424117 GHJVAKIWFKRZEP-UHFFFAOYSA-N 319.405 1.140 0 40 DDAB Cc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1F 78788679 RPJYSQBWRSQXIF-HZPDHXFCSA-N 306.381 1.805 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(CC3(O)CCC(C)CC3)C2)no1 78899590 NWHRFQYGDHOWBB-GNHJJJEISA-N 322.453 1.825 0 40 DDAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1 4141775 NBHUVTYTBMCIDV-HMEQZMJYSA-N 310.353 1.822 0 40 DDAB CCCCn1nnnc1NC(=O)NCc1cn2ccsc2n1 23398207 YPDIAVGUAKQLJW-UHFFFAOYSA-N 320.382 1.504 0 40 DDAB Cc1cc(NCCCN2C[C@H](C)O[C@H](C)C2)n2ncnc2n1 23619327 WKEPPLDNJJBGIP-BETUJISGSA-N 304.398 1.344 0 40 DDAB CCn1nnc2cc(C(=O)NCCCN3CCCC3=O)ccc21 23690066 AVPVHLNZRASSDQ-UHFFFAOYSA-N 315.377 1.194 0 40 DDAB CC[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(OC)cc1 23649908 AJZZOUDOWOBZQK-CYBMUJFWSA-N 303.362 1.871 0 40 DDAB Cn1nccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1ccncc1 100210030 XJXODZHBDAKOBG-KBPBESRZSA-N 312.373 1.470 0 40 DDAB O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1F 24595612 UWYARAGWPIXKDN-UHFFFAOYSA-N 319.380 1.709 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 9644714 UUOPEVYPPIGXRN-JFGNBEQYSA-N 318.320 1.662 0 40 DDAB CNC(=O)[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccccc1 55547275 AZPCHASDUDQPIB-OAHLLOKOSA-N 313.357 1.445 0 40 DDAB COc1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccn1 12522215 UKKTYKIVPVJZCK-UHFFFAOYSA-N 311.341 1.905 0 40 DDAB C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCO1 97373219 XJZSKRMWCGFBKW-DOMZBBRYSA-N 312.435 1.594 0 40 DDAB CC(=O)N(C)CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C 57252997 IVRJDLDTRXQIJF-ZDUSSCGKSA-N 306.410 1.610 0 40 DDAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 97654455 BHWHXPNPMDNXHU-ZDUSSCGKSA-N 318.373 1.347 0 40 DDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1C(N)=O 26744947 BWULOSQLFTYWQQ-JTQLQIEISA-N 312.391 1.215 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 28208072 GRHHQXPKDQHJLL-UHFFFAOYSA-N 320.798 1.235 0 40 DDAB Cc1cc(C)c(NC(=O)COC(=O)[C@H]2CCC(=O)N2)c(C)c1 3240638 SVKKGSZIFWXSAT-GFCCVEGCSA-N 304.346 1.372 0 40 DDAB CN(CCOc1ccccc1)C(=O)c1cnc2ccccn2c1=O 44896204 PAVNLTSDZOEUOX-UHFFFAOYSA-N 323.352 1.846 0 40 DDAB CCOc1ccc(-c2noc(CN3CC[C@@H](C(N)=O)C3)n2)cc1 48035815 YPNRSVUPKGRXDV-GFCCVEGCSA-N 316.361 1.443 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 58314071 YUQJAWZSUGYFOB-MRXNPFEDSA-N 307.353 1.994 0 40 DDAB COCCOCCCC(=O)N(CCC(N)=O)Cc1ccccc1 58332545 SOSROWPXQBIXBG-UHFFFAOYSA-N 322.405 1.334 0 40 DDAB CCc1noc([C@@H](C)N2CCC(CN3CCOCC3)CC2)n1 48234461 RZVIAZJLLPQBKX-CYBMUJFWSA-N 308.426 1.737 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)c1cc2c([nH]c1=O)CCC2 84692293 YDSHIQFTFKCBPZ-LBPRGKRZSA-N 303.406 1.468 0 40 DDAB O=C(c1ccco1)N1CCN(c2cc(=O)n3ccccc3n2)CC1 10973402 RNNKOINOQSCMRP-UHFFFAOYSA-N 324.340 1.250 0 40 DDAB CCOc1ccccc1-c1noc(CSc2nnnn2C)n1 11153756 KHBGLGPGPBDMST-UHFFFAOYSA-N 318.362 1.951 0 40 DDAB C[C@@H]1CCCc2sc3nc(SCC(N)=O)n(N)c(=O)c3c21 36646181 UVMGCMZXUVDIOO-ZCFIWIBFSA-N 324.431 1.189 0 40 DDAB O=C1C[C@H](COC(=O)c2sccc2Br)CN1 95451889 DVTUUSXUTRPVND-LURJTMIESA-N 304.165 1.804 0 40 DDAB O=C(NCc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(C2CC2)C1 29460720 XWYCOKBOUUQYPG-LBPRGKRZSA-N 316.357 1.085 0 40 DDAB COCCCNC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 29693550 CLDJWOHKWLCJIG-MNOVXSKESA-N 321.377 1.359 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCCn3ncnc32)C1 95462828 ZMXFFAMZLIVDKE-NEPJUHHUSA-N 307.398 1.712 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 3327840 XIUQQAAAAOXMFI-QGZVFWFLSA-N 317.389 1.630 0 40 DDAB COc1ccc(/C=C/C(=O)NCCCN2CCN(C)CC2)cc1 22934766 OTQBLNIMQOKVPK-RMKNXTFCSA-N 317.433 1.462 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2csnn2)CC1 11914937 DZWIIQSWYMMDNN-UHFFFAOYSA-N 304.375 1.509 0 40 DDAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1O 3537671 YEFUDHBVOKTWQF-UHFFFAOYSA-N 302.311 1.819 0 40 DDAB CC(C)(CO)NC[C@H](O)COc1ccc(Br)cc1 26781651 KQTTWSNKHAPLSE-NSHDSACASA-N 318.211 1.549 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC 48903001 NYEQTGXOVCEYHK-UHFFFAOYSA-N 320.798 1.569 0 40 DDAB C[C@H]1CCCN(C(=O)COC(=O)[C@H]2COc3ccccc3O2)C1 6056019 QBCUWDCOHLGXRP-SWLSCSKDSA-N 319.357 1.628 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCc1nnc2n1CCCCC2 65523341 KDLBEIZTCMGXAR-UHFFFAOYSA-N 317.441 1.402 0 40 DDAB O=C(CSc1ncccn1)Nc1ccc2c(c1)OCCO2 6558752 MEYNUYYLIAGHSM-UHFFFAOYSA-N 303.343 1.979 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O 4694685 VUKJEHYYZJXDKJ-YRNVUSSQSA-N 307.327 1.905 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1 6645407 RXGWFZRONUIXEH-VIFPVBQESA-N 300.355 1.223 0 40 DDAB CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)o1 4987265 NHGKBNGMPRZBHX-UHFFFAOYSA-N 324.337 1.814 0 40 DDAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(=O)[nH]2)cc1 4938684 GQKVYUPAOHKOJO-VIFPVBQESA-N 304.375 1.780 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H](Cc3nccn3C)C2)on1 90004057 MADFKTZILOEZPH-ZDUSSCGKSA-N 317.393 1.610 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 68677323 FCUNYDGWNHWKIE-YGNMPJRFSA-N 301.298 1.846 0 40 DDAB COCCN1C(=O)N[C@@H](c2ccccc2F)C(C(=O)OC)=C1C 9498572 CNWZMIDGWSNFHJ-AWEZNQCLSA-N 322.336 1.985 0 40 DDAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 16553878 QXHNFVIWOPSDNH-MRVPVSSYSA-N 324.362 1.974 0 40 DDAB Cc1cc(NC(=O)CSc2nnc(N(C)C)n2C(C)C)no1 71799808 MGHCEPPJCXOVKD-UHFFFAOYSA-N 324.410 1.952 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2nncs2)[C@@H]1c1cccc(F)c1 61718636 BTJKRLAZGGJILR-JQWIXIFHSA-N 320.349 1.835 0 40 DDAB O=C(CCc1nc(-c2ccoc2)no1)Nc1c[nH]ccc1=O 96416987 ZMWUBWWVFHVFMV-UHFFFAOYSA-N 300.274 1.589 0 40 DDAB COC(=O)N1CCC[C@H](C(=O)Nc2cccnc2N(C)C)C1 69350061 LDSVKOPWOWGIMW-NSHDSACASA-N 306.366 1.565 0 40 DDAB CCNC(=O)[C@H]1CCCN([C@H](C(=O)OC)c2ccc(F)cc2)C1 69440147 YJDYZZQGRRZGTM-ZFWWWQNUSA-N 322.380 1.888 0 40 DDAB CC(C)(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 69418910 LKPGSANFLFUYGH-CHWSQXEVSA-N 316.467 1.190 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCc2c(ncn2C2CC2)C1 69559580 ZMIIPWJEBIIWMB-UHFFFAOYSA-N 314.389 1.828 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N(CC(N)=O)C1CCCC1 71821131 AMHYGTACCXBOOR-NSHDSACASA-N 308.353 1.850 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@H]2CSc3ccccc3O2)CC1 71871443 MYQBPXLHAMRZKJ-TZMCWYRMSA-N 322.430 1.065 0 40 DDAB C[C@H](O)CN1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 69652187 OCRRUSWZEAMUTD-BBWFWOEESA-N 323.481 1.166 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1cnn(-c3ccccc3)n1)CC2 69951414 AGKAGTUOMNQOOB-ZDUSSCGKSA-N 309.377 1.272 0 40 DDAB CC(C)Cc1ccc([C@@H](O)CN2CCN(C[C@@H](C)O)CC2)cc1 69947944 JVXNXRDONYCBAB-APWZRJJASA-N 320.477 1.917 0 40 DDAB COC1CCN(c2ccc(F)cc2CN(C)[C@H](C)C(N)=O)CC1 71842051 SDOWRASNRMWDHT-GFCCVEGCSA-N 323.412 1.747 0 40 DDAB Cc1ccc2ncn(C[C@@H](O)CN3CCC(C)CC3)c(=O)c2c1 71825112 TWJOOBZJPHKOLS-HNNXBMFYSA-N 315.417 1.798 0 40 DDAB Cc1cc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)no1 95424369 CFOPTHSCCSRBEZ-ZDUSSCGKSA-N 317.393 1.881 0 40 DDAB O=C(N1CCN([C@H]2CCC[C@@H]2O)CC1)C1(c2ccccc2)CC1 72269391 STBGGDZNHFCJTK-IRXDYDNUSA-N 314.429 1.776 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)CCn2ccccc2=O)no1 72299348 UGLAFLCJLDEKPD-GFCCVEGCSA-N 316.361 1.548 0 40 DDAB CNS(=O)(=O)c1ccc(CNc2noc(C(C)(C)C)n2)cc1 97115255 DNZTXQJUDFIWMM-UHFFFAOYSA-N 324.406 1.887 0 40 DDAB CCc1noc(CC)c1CC(=O)N1CCCC2(C1)OCCO2 95443557 ZKNNMIPXAQAMCA-UHFFFAOYSA-N 308.378 1.707 0 40 DDAB CCOC[C@H](O)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 95432165 FYAVOODTTGGUKB-MRXNPFEDSA-N 322.453 1.391 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 95993969 HJXNUNJEILACGS-ZDUSSCGKSA-N 314.382 1.669 0 40 DDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1 95992070 XONZKAVCSIWYFT-CYBMUJFWSA-N 304.394 1.416 0 40 DDAB COc1nc(OC)nc(N2CCN(c3ccccc3F)CC2)n1 6767786 DCXOCWJDMDCOIY-UHFFFAOYSA-N 319.340 1.355 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)c2ccnc(OC3CCC3)c2)C1 89571586 QHMJRQGMMXTIHL-CYBMUJFWSA-N 317.389 1.611 0 40 DDAB CNC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 75110198 GXFICOIOVADSSY-UHFFFAOYSA-N 324.812 1.544 0 40 DDAB Cc1ccsc1[C@H]1C[C@H]1C(=O)NS(=O)(=O)N1CCCC1 89702016 OXYYBCMERDWXSL-WDEREUQCSA-N 314.432 1.617 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1oc(C)nc1C)CC2 89986396 ZCKVRCBVUVKENF-QWHCGFSZSA-N 308.378 1.684 0 40 DDAB C[C@@](O)(CNC(=O)NC[C@@]1(C)CCCO1)c1ccc(F)cc1 89919354 NBDXBBOMJZBRQM-HZPDHXFCSA-N 310.369 1.902 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC(=O)NC1 89949275 BKXFJRLMJBRPCC-HIFRSBDPSA-N 315.417 1.770 0 40 DDAB Cc1cc([C@@H]2CCCN([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)n[nH]1 76059666 UFQHALBSYFJQCB-ZNMIVQPWSA-N 320.437 1.581 0 40 DDAB C[C@H](NC(=O)c1cccc2oc(O)nc12)C1(S(C)(=O)=O)CC1 515669036 URLFIZQUQMVECY-QMMMGPOBSA-N 324.358 1.229 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCC2)[C@@H]1c1cccc(F)c1 72241789 XLHXNROXIKZDCP-LSDHHAIUSA-N 306.337 1.346 0 40 DDAB Cc1cc(CN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)no1 306144215 YZICJXDFRPXRDS-NWANDNLSSA-N 315.377 1.332 0 40 DDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 36623940 YXBZNKKSXVLCOU-OLZOCXBDSA-N 307.394 1.886 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 36610988 PHGWOEITLMNJNA-WVWOOGAGSA-N 303.362 1.176 0 40 DDAB CN1C(SCc2ccc(F)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32508610 VRVUGBVWDBRWNP-RYUDHWBXSA-N 314.407 1.526 0 40 DDAB Cc1cc(N2CCCC2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 72364663 PPPPIRPGLIBFTD-CYBMUJFWSA-N 324.450 1.524 0 40 DDAB Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cc([C@H]2CCNC2)n1 72365396 QCJLBOATHPLFOD-ZDUSSCGKSA-N 317.414 1.932 0 40 DDAB O=C1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCN1 65903027 XHFSPUYTZWNCPX-VOTSOKGWSA-N 310.357 1.234 0 40 DDAB Cc1cc2nccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2n1 72389508 UNUNIRDDSZNSDZ-CYBMUJFWSA-N 322.372 1.848 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)Cn1ccc2c(Cl)cccc21 35686230 IENGWAACUFWLLJ-CYBMUJFWSA-N 305.765 1.771 0 40 DDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(C)C)CC2 72376482 BNKKLQMHBIPKTO-CYBMUJFWSA-N 317.437 1.621 0 40 DDAB CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 565593210 KKXCZYHXPPTGAZ-LSDHHAIUSA-N 324.446 1.720 0 40 DDAB COCCN(Cc1cc(Cl)nc(Cl)c1)[C@@H](C)C(N)=O 75717689 VVNQRBKJVGOUGU-QMMMGPOBSA-N 306.193 1.711 0 40 DDAB COc1ccnc(CNC(=O)N2CCC[C@](C)(OC)CC2)n1 566145272 HOILGPAXQIBNPG-HNNXBMFYSA-N 308.382 1.586 0 40 DDAB NC(=O)[C@H]1CCCN1[C@@H](C(=O)O)c1c[nH]c2ccc(Cl)cc12 80357852 JTLBHLHMNBXTSI-CHWSQXEVSA-N 321.764 1.897 0 40 DDAB C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1nccs1 41949360 XPEFLDIMOUKSBK-SNVBAGLBSA-N 305.359 1.665 0 40 DDAB Cc1cc(NC(=O)N2CCC[C@H]2CN2CCOCC2)nn1C 89273777 OXUBZBRINAEWPJ-ZDUSSCGKSA-N 307.398 1.057 0 40 DDAB CCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225949699 AGSWQOGGVLPFAB-LBPRGKRZSA-N 318.826 1.847 0 40 DDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C 85344808 NMBKZTWAWIUZLB-LLVKDONJSA-N 315.347 1.081 0 40 DDAB CS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccs2)CC1 331477039 PDKSKTJEOSMTEK-GFCCVEGCSA-N 301.433 1.716 0 40 DDAB O=C1[C@H](C(=O)N2CCC[C@@H]2CO)CCN1c1cc(F)cc(F)c1 195579337 OKMIHAQOHLYGGY-OCCSQVGLSA-N 324.327 1.301 0 40 DDAB O=C(c1cscn1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 96183301 NXNFGGQHXOGKKW-QWHCGFSZSA-N 307.419 1.468 0 40 DDAB CC(C)COC[C@H]1CN(Cc2cnn(C)c2)Cc2ncn(C)c21 96060233 FAICHIJADYAOHG-OAHLLOKOSA-N 317.437 1.926 0 40 DDAB Cc1nn(C)cc1[C@@H](C)NC(=O)NCC[S@](=O)C(C)(C)C 96408862 VJSFJJBMACVCOK-LADRHHBVSA-N 314.455 1.636 0 40 DDAB CCC(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1ccccn1)CO2 96221194 CXXGYVAJLJSTGY-CYBMUJFWSA-N 317.389 1.372 0 40 DDAB COCC(=O)N[C@@H]1CN(Cc2ccsc2)C[C@@H]2CCCO[C@@H]21 96040640 QGVBEFCZWGBKKI-LZWOXQAQSA-N 324.446 1.490 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCC1 96216931 WYHBADZWXMPIQW-CWRNSKLLSA-N 301.390 1.293 0 40 DDAB O=S(=O)(C1CC1)N1CCN(CC2CC2)c2ncccc2C1 96198938 HUNGMJSYYNMBJH-UHFFFAOYSA-N 307.419 1.606 0 40 DDAB CCc1c(Cl)nc(C)nc1N1CCC[C@@H](N2CCNC2=O)C1 96427338 UGOMVLHQSPPJTA-LLVKDONJSA-N 323.828 1.995 0 40 DDAB O=C(c1ccco1)N1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 96245146 RHASJDIJCKWLKQ-KGLIPLIRSA-N 311.341 1.405 0 40 DDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)[C@H](C)C(F)(F)F)C1 249192558 POXJWNIKICOQQG-GMTAPVOTSA-N 316.389 1.977 0 40 DDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1noc2c1CCCC2 257276648 NUOVWOHOUPNEMJ-XJKCOSOUSA-N 319.405 1.271 0 40 DDAB O=C(C1CC1)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257313730 UTWBSRRUSSGCAK-ROUUACIJSA-N 314.429 1.807 0 40 DDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cncs3)CCO2)n1 257252329 JUJVWIJSRFGCOV-LLVKDONJSA-N 304.375 1.764 0 40 DDAB CC(C)C(=O)N1CC[C@H](c2cn3nccc3c(N(C)C)n2)C1 257343521 ZTIGSRBENOVTJB-LBPRGKRZSA-N 301.394 1.767 0 40 DDAB COc1cccc(CC(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)c1 257306767 SVUHTIHWWGWMDI-OAHLLOKOSA-N 315.373 1.869 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c1 257335289 YJNFQPLDXZRLJO-SNVBAGLBSA-N 312.420 1.445 0 40 DDAB Cc1nc(C)c(CC(=O)N2CC[C@@](O)(CN3CCCC3)C2)s1 257229120 FWSYUGBPYWVMFY-MRXNPFEDSA-N 323.462 1.362 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2ccc(-c3cc(C)n[nH]3)nc2)C1 257244629 IMDOAYGGLZKHDV-AWEZNQCLSA-N 314.389 1.818 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)CC[C@@H]1O 257326596 WXUZOLRIBISLNJ-HOCLYGCPSA-N 315.373 1.270 0 40 DDAB Cn1cc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)cn1 257274749 NMLSFCXWRJJANF-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB COc1ccc2ccccc2c1CN1C[C@@H](O)[C@H](NC(C)=O)C1 257324298 WOAXNZVIJTWAQY-IAGOWNOFSA-N 314.385 1.530 0 40 DDAB O=C1CCN(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)C(=O)N1 268065791 HWMNIAHRCJWSKT-LBPRGKRZSA-N 319.336 1.084 0 40 DDAB CC[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1sc(C)nc1C 287400529 DPZNCRBAKIGDNM-UWVGGRQHSA-N 318.420 1.634 0 40 DDAB CO[C@H](CNS(=O)(=O)c1csnc1C(=O)O)C(C)(C)C 570959500 FJWUBKGYMBRXMG-MRVPVSSYSA-N 322.408 1.181 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CC1 585140600 HRHPCPQLFPCSGV-MCIONIFRSA-N 304.394 1.065 0 40 DDAB CNc1nc([C@@H]2CCN(C(=O)c3cnccn3)C2)cn2cccc12 585178925 SODVBQZGWGZXST-GFCCVEGCSA-N 322.372 1.796 0 40 DDAB C=CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2cnccn2)n1 585292448 MLBNBILZQIPEFN-CYBMUJFWSA-N 324.388 2.558 0 40 DDAB N[C@H]1CN(C(=O)NCc2cccc3c2OCC3)CC12CCC2 1553531392 QBJKDXSXLXLOIF-AWEZNQCLSA-N 301.390 1.644 0 40 DDAB CCn1cc(NC(=O)C2CCN(C(=O)[C@H](C)SC)CC2)cn1 67282740 RLADACAMXJSLBP-NSHDSACASA-N 324.450 1.832 0 40 DDAB O=C(O)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)nn2)cc1 166414480 RYFVKTNONYVZPO-UHFFFAOYSA-N 322.280 1.997 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1cccc(F)c1 55863388 JXBFUHMUBWFDEN-OCCSQVGLSA-N 311.378 1.924 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)n1 1065986471 VYHBBTOLNYFDGY-BETUJISGSA-N 322.359 1.725 0 40 DDAB CS(=O)(=O)NCc1ccc(OCCOc2ccccc2)nc1 56114670 WWYCFKDHARQJDX-UHFFFAOYSA-N 322.386 1.589 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)c1 58210724 JXNXOSGFHUMMDL-HNNXBMFYSA-N 312.373 1.821 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NCc3ccco3)C2)n[nH]1 84111032 HXLXZNAVYFVULK-ZDUSSCGKSA-N 302.378 1.807 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1N1CCOCC1 84735999 UVCDTPWZJLFBOK-FZMZJTMJSA-N 311.813 1.851 0 40 DDAB COC(=O)[C@@H](C)[C@@H](NC(=O)Cn1ccnc1)c1ccccc1 86232245 UTGJDAGJNAJNEN-SWLSCSKDSA-N 301.346 1.550 0 40 DDAB CNC(=O)CN1CCC(N[C@H](CC(C)C)c2ccccn2)CC1 95420130 GTXNQHCNVPLMBR-QGZVFWFLSA-N 318.465 1.969 0 40 DDAB Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](CC(N)=O)C(=O)O 5536725 GHOBCTWNCIYZOG-GFCCVEGCSA-N 316.313 1.313 0 40 DDAB O=C(c1ccncc1)N1CCC(n2nnc3cccnc32)CC1 12088696 GKEGHYSIRNCONV-UHFFFAOYSA-N 308.345 1.699 0 40 DDAB CN1C(=O)N(C)C2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O 16849889 KXFGSNDREPNUKO-UHFFFAOYSA-N 319.336 1.324 0 40 DDAB Cn1cnc(CN2CCO[C@](CO)(Cc3ccccc3)C2)c1 643913525 AJKJASKPPNUHIX-QGZVFWFLSA-N 301.390 1.226 0 40 DDAB CN1CCOc2ccc(NC(=O)NC3CCOCC3)cc2C1=O 225550873 FAOIBDCIZGEUKD-UHFFFAOYSA-N 319.361 1.452 0 40 DDAB CC1(C)C[C@]2(CCCN2C(=O)c2cocn2)[C@H](CC(N)=O)O1 643586076 WXDAMXHGIPNZAQ-XHDPSFHLSA-N 307.350 1.092 0 40 DDAB CCc1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 11411303 NZLVNRUIOZXMDG-UHFFFAOYSA-N 323.352 1.891 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 4469311 KCYRERWMYRBXEC-UHFFFAOYSA-N 309.410 1.792 0 40 DDAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@H]2CCOC2=O)cc1 5561901 JBBAVFXHIMFUOM-ZDUSSCGKSA-N 320.345 1.367 0 40 DDAB Cc1nc(C(=O)N2CCc3nc(C(N)=O)sc3CC2)cs1 1565555007 NNVUOOCWDMQODM-UHFFFAOYSA-N 322.415 1.248 0 40 DDAB C[C@@H]1NC(=O)COC12CCN(C(=O)[C@]1(C)CC=CCC1)CC2 1565551904 WZLVSNLSLZVZEH-XJKSGUPXSA-N 306.406 1.629 0 40 DDAB CC[C@H]1N(C(=O)[C@H]2[C@H]3COC[C@H]32)CCC[C@]12CCC(=O)N2C 1565547376 OSTDTDBWUNKLTG-KIRIIANNSA-N 306.406 1.271 0 40 DDAB COC(=O)[C@H](C)SC1=NS(=O)(=O)c2cc(F)ccc2N1 9762030 PLMITPNIOXBEIP-LURJTMIESA-N 318.351 1.591 0 40 DDAB CN(C(=O)CN1CC(=O)Oc2ccccc21)c1ccc(O)cc1 16837328 RNRCOEJBGYGUPZ-UHFFFAOYSA-N 312.325 1.781 0 40 DDAB COc1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1C 40161926 KRIXIVSRVMNNMK-QMMMGPOBSA-N 308.363 1.236 0 40 DDAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(Br)cc1 101808 JWEFCHPNELQKFS-SNVBAGLBSA-N 320.208 1.906 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1 104690 QTYQSNXPWNPGRS-UHFFFAOYSA-N 319.342 1.636 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 20572600 WLAQDOLAWZHYER-UHFFFAOYSA-N 314.389 1.374 0 40 DDAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCCCC1 20564362 MWGBFJCOESSRNP-AVGNSLFASA-N 316.423 1.435 0 40 DDAB CC1CCN(S(=O)(=O)NCCc2ccccc2F)CC1 32759073 DEIMLFUTBULGKQ-UHFFFAOYSA-N 300.399 1.935 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)CCc2ccccc2)CC1 41396787 XFEFCKGYIKQXCM-UHFFFAOYSA-N 310.419 1.113 0 40 DDAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)no2)c1O 21903494 NFGLMURNRZMFJT-SECBINFHSA-N 320.301 1.881 0 40 DDAB Cc1cc(C(=O)O)c2c(=O)nc(S)n(C[C@H]3CCCO3)c2n1 12394888 OHFVIFSASRRCMW-MRVPVSSYSA-N 321.358 1.266 0 40 DDAB CC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 3332165 HVAVTSJAEKXQEG-UHFFFAOYSA-N 314.135 1.311 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 8313126 AMYARORROARJEU-JTQLQIEISA-N 324.377 1.357 0 40 DDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 24283482 PVPZXMSGAJJDAZ-UHFFFAOYSA-N 324.789 1.825 0 40 DDAB O=C(NCCc1cn2ccccc2n1)c1ccc2[nH]nnc2c1 12549895 PSHIESRGEXNAAU-UHFFFAOYSA-N 306.329 1.578 0 40 DDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] 107340948 KCURZSBRUSBZND-BPNCWPANSA-N 307.325 1.433 0 40 DDAB CCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C 57521195 VJHLJBVFSJYREV-UHFFFAOYSA-N 308.407 1.531 0 40 DDAB NC(=O)[C@H]1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)C1 48038709 DNKWGZWSTTVLRF-LSDHHAIUSA-N 301.390 1.157 0 40 DDAB CCCCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1 1820662 ICMFAXCJZSLDPQ-UKTHLTGXSA-N 301.371 1.878 0 40 DDAB O=S1(=O)N=C(N[C@H](CO)Cc2ccccc2)c2ccccc21 72270969 KMROCUYWKUDDHM-ZDUSSCGKSA-N 316.382 1.329 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 56683270 WCEBZHNLSXETKK-WDEREUQCSA-N 314.407 1.277 0 40 DDAB Cc1ccc([C@H](CC(=O)O)NC(=O)CCc2cnn(C)c2)cc1 72277076 WYKJOVLUAMDXKO-HNNXBMFYSA-N 315.373 1.993 0 40 DDAB Cc1cnc(CN(C)[C@H]2CCCN(c3ccc(C)nn3)C2)cn1 72276691 JJWCOKKQTZRSCI-INIZCTEOSA-N 312.421 1.984 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc[nH]c1=O 27335721 KHYBZBWNDIFTBN-CYBMUJFWSA-N 301.346 1.535 0 40 DDAB C[C@H]1CN(C(=O)CN(C)Cc2ccc3c(c2)OCCO3)CCO1 10050690 QQGURMULFWOTKE-ZDUSSCGKSA-N 320.389 1.137 0 40 DDAB COCCn1cc(NC(=O)NCCN2C[C@H](C)C[C@@H](C)C2)cn1 48251823 OOGZONBEFOAHBZ-ZIAGYGMSSA-N 323.441 1.629 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)C1 20768299 QYFGPQIWWMPKDY-QIRZIZBZSA-N 302.374 1.052 0 40 DDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCn1ccnc1 44889962 VSEUZJWLJVAMOL-QGZVFWFLSA-N 324.384 1.964 0 40 DDAB O=C(Cn1cccn1)NC[C@@H](c1ccco1)N1CCCCC1 44896907 BZQKXSWMROEQOW-AWEZNQCLSA-N 302.378 1.820 0 40 DDAB O=C(NCC(=O)N1CCN(C2CC2)CC1)c1cc(F)cc(F)c1 58209449 AXILANDXOTYURL-UHFFFAOYSA-N 323.343 1.001 0 40 DDAB O=C(CNC(=O)NC/C=C/c1ccccc1)NCc1ccco1 72281516 ISYCUPKFURAQDW-XBXARRHUSA-N 313.357 1.908 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)s1 72269602 IIFUZKDLDYRSCR-CHWSQXEVSA-N 309.435 1.431 0 40 DDAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)NCc1ccco1 72277789 JQGGJBKZWPQZOK-ZDUSSCGKSA-N 305.378 1.966 0 40 DDAB NC(=O)[C@@H]1CN(c2cc(C(F)(F)F)nc3ccccc23)CCN1 12741450 NMGXUJCKKUDQPL-NSHDSACASA-N 324.306 1.517 0 40 DDAB CCC(CC)c1cc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)on1 72295693 JPONGAXYLSGCFB-HNNXBMFYSA-N 320.349 1.002 0 40 DDAB c1ncn(Cc2ccc(CNC[C@H]3CNc4ccnn4C3)cc2)n1 58325200 ONRIHADWBOYZDI-INIZCTEOSA-N 323.404 1.354 0 40 DDAB NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 28249600 VJYVOYULWXVKLJ-UHFFFAOYSA-N 319.386 1.121 0 40 DDAB C[C@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)[C@H](C)CO1 45447484 MURZUUAWKVCKHR-NEPJUHHUSA-N 304.346 1.620 0 40 DDAB C[C@H]1COCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 46259042 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O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H]1Cn1cccn1 71866781 DOHWEBOQXLGBSW-INIZCTEOSA-N 322.372 1.769 0 40 DDAB COc1ccccc1CC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 69895710 YJSFZJNJMFICER-OAHLLOKOSA-N 316.401 1.755 0 40 DDAB O=C(CCNc1ncccn1)N1CCC[C@H]1Cn1cccn1 71866532 WSFMTSOUPKVKKW-ZDUSSCGKSA-N 300.366 1.166 0 40 DDAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)NCC[S@@](C)=O 84225398 GXQJOHIIPBMVDG-ASSNKEHSSA-N 312.435 1.748 0 40 DDAB Cc1c(N[C@H]2CCN(C)C2=O)c(=O)n(-c2ccccc2)n1C 95397874 HGXCQDUDEDDOLT-ZDUSSCGKSA-N 300.362 1.127 0 40 DDAB COc1ccccc1/C=C/CNCCN1CCN(C(C)=O)CC1 84718348 QCJGFXJBEQYDOQ-FNORWQNLSA-N 317.433 1.462 0 40 DDAB CCOC(=O)c1cnc(C)c(C(=O)OCCCNC(C)=O)c1 95460143 GKYLEWRQJDHCBW-UHFFFAOYSA-N 308.334 1.250 0 40 DDAB O=C1CN(C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CCN1 73552421 ANHFBPRYMWREOL-QWRGUYRKSA-N 312.291 1.767 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)N1 85481644 GIAUNTQUZOPDHY-ZIAGYGMSSA-N 300.358 1.529 0 40 DDAB Cc1cc(S(=O)(=O)N2CCO[C@@H](C)C2)cc(C(=O)O)c1C 95940682 GIZXZBZDRFLIJU-JTQLQIEISA-N 313.375 1.411 0 40 DDAB CCc1noc(CC)c1CC(=O)N1CCC(n2ccnn2)CC1 95979290 TYFFXOGWMNQUIT-UHFFFAOYSA-N 317.393 1.797 0 40 DDAB CC(C)[C@H](O)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 95977358 OWDXESXBUSXBOF-JKSUJKDBSA-N 318.417 1.701 0 40 DDAB C[C@H](CO)CS(=O)(=O)Cc1cccc(Br)c1 95994620 MCLJHFTVASVLIJ-SECBINFHSA-N 307.209 1.992 0 40 DDAB CC(C)(C)NC(=O)CN1CCOC[C@H]1CC(=O)c1cccs1 95945693 TYFFSXRMIUOCHT-GFCCVEGCSA-N 324.446 1.936 0 40 DDAB CCOC(=O)CCN1CCC(NC[C@@](C)(CC)[C@@H](C)O)CC1 95986492 OTQWNYDLXGUBQW-RHSMWYFYSA-N 314.470 1.791 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)cc1N(C)C 89644161 WJNMGJCWXWHEHH-UHFFFAOYSA-N 312.435 1.861 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC(C)C)CC2=O)cc1OC 28261827 OASCODJHXUHGEQ-LLVKDONJSA-N 306.362 1.581 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cncc(C)c1)C2 306134088 NDFCQQXOXLIKMQ-AWEZNQCLSA-N 303.406 1.573 0 40 DDAB COc1cccc(NC(=O)N2CCN3C(=O)N(C)C[C@H]3C2)c1 77266297 RMQOOBFENMNBQH-LBPRGKRZSA-N 304.350 1.279 0 40 DDAB biogenic,in-vitro CCN(CC)[C@H]1CC(=O)N(c2ccc(CC(=O)OC)cc2)C1=O 4698009 LZMZMUIFKLCTPC-AWEZNQCLSA-N 318.373 1.376 0 40 DDAB CC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 35388685 AFKNGHZKARADIB-QZWWFDLISA-N 304.342 1.610 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1Cc1ccccn1 72366143 ISVZEUIXGDJZIW-GFCCVEGCSA-N 306.391 1.545 0 40 DDAB Cc1nc(NC(=O)c2cnccn2)sc1SCC(N)=O 30710029 IXBRQCQFJVIQCT-UHFFFAOYSA-N 309.376 1.071 0 40 DDAB CC(C)(C)OC(=O)NCCC(=O)O[C@H]1C(=O)OCC1(C)C 78768631 VYIKWOHDSWPYLC-JTQLQIEISA-N 301.339 1.396 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1CC(C)(C)CN1CCN(C)CC1 72324695 JYFPATKCZICVIM-IAGOWNOFSA-N 308.514 1.429 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2)ncc1C(N)=O 72345411 OGFVMLHLFJEETK-AWEZNQCLSA-N 310.357 1.861 0 40 DDAB O=C(NCc1ccccc1CN1CCC(O)CC1)NC1CC1 75535683 AWTNJOVXSXYILX-UHFFFAOYSA-N 303.406 1.605 0 40 DDAB CC[C@]1(C)CN(C(=O)NCc2nccn2C(F)F)CCO1 188185323 MYCGZMSHGIUMEN-CYBMUJFWSA-N 302.325 1.989 0 40 DDAB CCn1nc(C)c2nc(C)nc(NCCCN3CCOCC3)c21 72239354 ZEEKGDZVSYKUEU-UHFFFAOYSA-N 318.425 1.597 0 40 DDAB CN(C)c1ncc(CN[C@@H](Cc2ccccc2)C(=O)O)cn1 218758842 RMIXOPPBUKYKMO-AWEZNQCLSA-N 300.362 1.328 0 40 DDAB O=C(CCN1CCC2(CC1)OCCO2)Nc1cccc(F)c1 46511746 CUGOLQXEWKQPLI-UHFFFAOYSA-N 308.353 1.993 0 40 DDAB COc1cc(N2CCN(Cc3csc(C)n3)CC2)ncn1 133053960 JSBWQYQUSDYTOU-UHFFFAOYSA-N 305.407 1.572 0 40 DDAB NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958328 WHMTZMQAHAXBAG-LLVKDONJSA-N 305.353 1.654 0 40 DDAB Cc1noc(CN2CCN(C[C@H](O)CC3CCCC3)CC2)n1 225596975 UDBZTQKVABFTBY-OAHLLOKOSA-N 308.426 1.437 0 40 DDAB CCS[C@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 195571202 LBMNJVQDOVETMV-KGLIPLIRSA-N 300.468 1.936 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(Cc4cccnc4)C[C@H]32)nn1 96054405 JUEWYXKUVGTCFI-CVEARBPZSA-N 311.389 1.270 0 40 DDAB CO[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@H]2CCO[C@@H]21 96217442 YKVRJJMFASSQBH-QEORTHHSSA-N 319.357 1.363 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 96053949 ZYYBXRGFZWERFN-PHIMTYICSA-N 317.370 1.580 0 40 DDAB Cc1nc([C@@H]2COCCN2C(=O)Cc2ccccn2)cs1 96219427 JXNRXCAJUZCHIK-AWEZNQCLSA-N 303.387 1.989 0 40 DDAB Cc1cccc(CN2CC[C@]3(CCCN3S(C)(=O)=O)C2)n1 96071020 BJGNZYVNYHYWIW-OAHLLOKOSA-N 309.435 1.390 0 40 DDAB Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc(C)cc2=O)c1 97375787 VPNZSUYRYADOKG-LBPRGKRZSA-N 308.765 1.953 0 40 DDAB CN(C)c1cccc([C@H]2CCCN2C(=O)CS(C)(=O)=O)c1 330798491 CLJYQCFXEPFAEE-CQSZACIVSA-N 310.419 1.461 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccncc1)C2 96215172 PUEVYCCVOKLRKD-HNNXBMFYSA-N 323.418 1.112 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2nccs2)cn1 96184535 WLCHGPMWNNXGBV-OLZOCXBDSA-N 317.418 1.366 0 40 DDAB O=C1CN(C(=O)C2(c3cccc(F)c3)CC2)CCN1C1CC1 96450186 AYOGRYMKKSISAK-UHFFFAOYSA-N 302.349 1.691 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96041748 VLFLZPIHKDBSKY-RRFJBIMHSA-N 305.378 1.512 0 40 DDAB Cc1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1C 244307705 XBMVHILQWSSLMU-UHFFFAOYSA-N 312.435 1.984 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1O 257226249 FJUWGLWHSJNNRE-XNRPHZJLSA-N 317.389 1.691 0 40 DDAB Cc1cc(C(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)on1 257273853 NINAAIAWXVKQCU-LBPRGKRZSA-N 304.306 1.001 0 40 DDAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnn1C 257305879 SRXONKKVBZVOAQ-HOCLYGCPSA-N 304.394 1.426 0 40 DDAB CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260910099 WQHVVVVVWQBWHQ-JSGCOSHPSA-N 312.435 1.780 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)c1cnn2c1OCCC2 90584016 CAZVLAHCESYPKN-UHFFFAOYSA-N 324.344 1.176 0 40 DDAB COCc1nnc2n1CCN(Cc1cnn(C(C)C)c1)[C@@H](C)C2 585097555 LQUZJKBZKKMWHS-ZDUSSCGKSA-N 318.425 1.649 0 40 DDAB CCc1[nH]c(C(=O)NCCc2cnn(C)c2)c(C)c1C(=O)OC 42729335 TYNYENOFRKKMLG-UHFFFAOYSA-N 318.377 1.378 0 40 DDAB C[C@H](C(=O)N(C)Cc1ccc2c(c1)OCCO2)n1cccn1 44669677 NYLHLKVCDPHURS-GFCCVEGCSA-N 301.346 1.874 0 40 DDAB O=C(CCOc1ccccc1F)NC[C@H]1CCS(=O)(=O)C1 45075841 YSIUPKMKDOPXCR-LLVKDONJSA-N 315.366 1.146 0 40 DDAB CCn1cc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cn1 46952533 YBLPZSYSUOABFN-JTQLQIEISA-N 319.331 1.909 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCC1 17356506 BPWZKMXSRUFCCA-JTQLQIEISA-N 300.355 1.115 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 97020718 QZZUTBRVVRQPCV-LBPRGKRZSA-N 323.336 1.991 0 40 DDAB Cn1cc([C@@H](O)CNC(=O)Nc2ccc3c(c2)OCCO3)cn1 76068606 LCOCRIPLXKSFJC-LBPRGKRZSA-N 318.333 1.046 0 40 DDAB CN1CC[C@H](NC(=O)Cc2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 108365889 UYFQOHGXABKBKQ-GOEBONIOSA-N 320.343 1.792 0 40 DDAB O=C(O)CNC(=O)/C=C/c1ccc(I)o1 89799887 OBHYIWUEGQDBTP-DUXPYHPUSA-N 321.070 1.098 0 40 DDAB O=C(CNC(=O)c1occc1Br)Nc1cn[nH]c1 81727971 LXNNCAFRDLIHCR-UHFFFAOYSA-N 313.111 1.134 0 40 DDAB O=C(O)[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(Cl)c2F)C1 92181468 IRIDDDONDIFMKH-JGVFFNPUSA-N 319.741 1.787 0 40 DDAB Cc1cccc(C[C@H]2CCN(C(=O)CCC(=O)O)C[C@H]2O)c1 1615085477 BHQWKOQVYXURNX-HUUCEWRRSA-N 305.374 1.612 0 40 DDAB COc1cc(C2=NO[C@@H](C(=O)NC(C)C)C2)cc(OC)c1OC 5031084 NUDWFTDMTQMHPE-CQSZACIVSA-N 322.361 1.730 0 40 DDAB Cn1nccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)o1 11613070 CDLNHTVWPUSELC-UHFFFAOYSA-N 313.273 1.451 0 40 DDAB Cc1nc(C)n([C@H](C)CNC(=O)C2Oc3ccccc3O2)n1 12195937 SBBDWKFHWHYBJR-SECBINFHSA-N 302.334 1.370 0 40 DDAB C[C@H](CC(=O)N1CCc2ncc(Cl)cc2C1)n1cncn1 12220665 PFJBXWKGIOPZMZ-SNVBAGLBSA-N 305.769 1.863 0 40 DDAB CCN1CCN(Cc2cc(-c3ccccc3)cn3nnnc23)CC1 19528215 HGXQSKPRXJLIMV-UHFFFAOYSA-N 322.416 1.929 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C1 169689228 QYFGPQIWWMPKDY-AMVBZWJASA-N 302.374 1.052 0 40 DDAB Cc1ccc(NC(=O)/C=C/C(=O)O)c(NC(=O)/C=C/C(=O)O)c1 1722822 WKNZCGAJBXKEIH-YDFGWWAZSA-N 318.285 1.154 0 40 DDAB COc1ccc(CN2CC[C@@H](NCCCN(C)C)[C@H](O)C2)cc1 12146524 GYNOKNLWVJPMII-QZTJIDSGSA-N 321.465 1.172 0 40 DDAB O=C([C@H]1CN(c2ccnc(C3CC3)n2)CCO1)N1CCCCC1 1888834259 MUUGOUHALVNIBG-CQSZACIVSA-N 316.405 1.572 0 40 DDAB O=C(O)[C@H](c1ccccc1)N1C(=O)C(Cl)=C(Cl)C1=O 6575543 SMTDFVBJHMFMFD-VIFPVBQESA-N 300.097 1.870 0 40 DDAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037984310 XFKNMZQWWMOWGM-IIAWOOMASA-N 320.364 1.291 0 40 DDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)C1(F)CCC1)CCC2 1565547714 WKVUERIMOHBBOZ-UHFFFAOYSA-N 322.384 1.600 0 40 DDAB CC[C@H]1N(C(=O)c2csnn2)CCC[C@]12CCC(=O)N2C 1565550298 XVPKMRMYTNTEQG-RISCZKNCSA-N 308.407 1.544 0 40 DDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1cccc(F)c1 4941443 VAGQBWLYJYNZHE-CYBMUJFWSA-N 322.336 1.566 0 40 DDAB COc1ccc(NC(=O)NC[C@@H](O)CCSC)c(OC)c1 1775967223 JETFTIQVQANUIM-JTQLQIEISA-N 314.407 1.939 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 245173949 YDIFIONDUSMBBW-LBPRGKRZSA-N 318.329 1.526 0 40 DDAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 4923163 JCKUMTOJMNVSEB-SNVBAGLBSA-N 309.391 1.809 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 40465646 FOSHFDPOKNCPSP-CWRNSKLLSA-N 317.385 1.910 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2cccnc2)c1 40513567 PDDCLMXLJJJCFE-UHFFFAOYSA-N 320.374 1.311 0 40 DDAB O=C(NCC1CC1)[C@H]1CCCN(Cc2nc(C3CC3)no2)C1 40540633 RTAGJDVUIFDARV-ZDUSSCGKSA-N 304.394 1.685 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCC(=O)N(C)C 40511227 KJQRWBUTCLDQQJ-CYBMUJFWSA-N 301.394 1.738 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@H]1CCCO1 40526808 NYXMVIKJFBLONR-LLVKDONJSA-N 312.391 1.699 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1 40505481 GKFSNRXSDCDRFS-SDDRHHMPSA-N 307.394 1.445 0 40 DDAB COC(=O)COc1nc2c3c4c(sc3ncn2n1)CCCC4 32092510 GAKHDZYNQTVQMB-UHFFFAOYSA-N 318.358 1.770 0 40 DDAB CCc1nnc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)s1 20942097 WIKUMSFJQNGTTH-UHFFFAOYSA-N 319.346 1.501 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H]2COCCO2)c1 32806702 KCPQEORUZXKHAC-GOEBONIOSA-N 321.373 1.783 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](C)OCC3CC3)C2)n1 72235553 DUHJDGKUWLYHJD-ABAIWWIYSA-N 306.410 1.874 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)N2CCSCC2)cc1 46922128 FZQHYKYBHMLXMW-UHFFFAOYSA-N 314.432 1.349 0 40 DDAB CNc1snc(C)c1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788553 RJRHBQORCBARSX-VXGBXAGGSA-N 324.450 1.164 0 40 DDAB CN(C)CCn1ccc(NC(=O)NC(C)(C)c2nccs2)n1 78937932 RCOZTKFLDLQNOF-UHFFFAOYSA-N 322.438 1.958 0 40 DDAB CC(=O)c1c2n(n(-c3ccccc3)c1=O)C(=O)c1nccnc1-2 1650242 VQQSIRLSMKELJK-UHFFFAOYSA-N 306.281 1.301 0 40 DDAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN(CCO)CCO)c1 2686804 ZWFOAIGHKQJGOT-HNNXBMFYSA-N 311.422 1.145 0 40 DDAB O=C1CCC(C(=O)OCc2nnc(-c3ccccc3)o2)=NN1 4334133 ABUCGQARJIQBJA-UHFFFAOYSA-N 300.274 1.046 0 40 DDAB COc1cc(OC)c2[nH]c(C(=O)N3CC[C@@H](C(N)=O)C3)cc2c1 53893869 MOQAMEPOJMDFSM-SECBINFHSA-N 317.345 1.133 0 40 DDAB CCOC(=O)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 6332454 ODIYRIJZPRHYRT-YNEHKIRRSA-N 311.451 1.824 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCCc2ccc(F)cc21 47370482 WNZIHPCPJUTETB-UHFFFAOYSA-N 304.321 1.644 0 40 DDAB CCCNC(=O)CNc1cccc(C(=O)N2CCC(O)CC2)c1 72296238 BTGUWWCHFKURDN-UHFFFAOYSA-N 319.405 1.222 0 40 DDAB COc1ccc(CCNc2nc(-c3nonc3N)no2)cc1 12420700 ANLZXKIDEYTPRB-UHFFFAOYSA-N 302.294 1.365 0 40 DDAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1nccnc1N 87481100 HIWSUIKECBWAKB-ZDUSSCGKSA-N 300.362 1.563 0 40 DDAB C[C@@H](NC(=O)N1CCCSCC1)[C@@H](C)N1CCOCC1 105298800 OVSCXWBETIUPNC-CHWSQXEVSA-N 301.456 1.244 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CCc1nc(-c2ccco2)no1 24481563 HXXOIPBMJVDEAK-UHFFFAOYSA-N 315.333 1.654 0 40 DDAB Cc1ncc(CN2CCN(Cc3nccn3C)[C@@H](C)C2)s1 106660283 RPOSCKVNAJHEGR-LBPRGKRZSA-N 305.451 1.891 0 40 DDAB O=C(C[C@@H]1C=CCC1)NCc1ccnc(N2CCOCC2)c1 25290645 OYKWCNGUJBAOFB-CQSZACIVSA-N 301.390 1.891 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1F 25308575 BLFSNTNTYMASRL-LLVKDONJSA-N 316.336 1.859 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1cccs1)CS2 25842575 RSHOYRCPKOXMIS-RISCZKNCSA-N 310.444 1.861 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)CN2CCCCC2)o1 97160063 AXHKKCHQLDXYMR-OAHLLOKOSA-N 318.421 1.915 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)[C@H]1Cc3ccccc3S1)CC2 97198935 JSGRPKIHDKGVOF-TZMCWYRMSA-N 314.414 1.735 0 40 DDAB C[C@@H](C(=O)NCC(=O)N1CCCc2ccccc21)n1ccnc1 57271556 LNPQLENSXPOOJW-ZDUSSCGKSA-N 312.373 1.540 0 40 DDAB CN(Cc1cccn1C)C(=O)CNC(=O)c1ccc(F)c(F)c1 84321858 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Cc1ccc(C(=O)OC[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O)cc1 13140052 AFHPWODMQGXJFV-KYEXWDHISA-N 308.330 1.389 0 40 DDAB O=C1[C@@H]2CSCN2C(=O)CN1Cc1c(F)cccc1Cl 5243473 QTVMAALIPLBQEF-NSHDSACASA-N 314.769 1.723 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)N1CCC(O)CC1 65405933 VNLVJIQWGSNPHC-UHFFFAOYSA-N 304.394 1.348 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)NC(C)(C)C 65538190 MDRKTYBGGLWTHY-UHFFFAOYSA-N 316.352 1.468 0 40 DDAB C[C@H]1C(=O)N(CC(=O)N2CCCCC2)C(=O)N1c1ccccc1 14160446 IZTBKXSJSAQSLE-ZDUSSCGKSA-N 315.373 1.856 0 40 DDAB CCOCCO[C@H](C)C(=O)N(CC(=O)OCC)CC(C)C 65612858 AJKYKKKUUBIFSN-CYBMUJFWSA-N 303.399 1.476 0 40 DDAB Cc1nccn1-c1ccc(CNC(=O)N2CCOCC2)cc1F 67555170 NIWSGCOAMDANGX-UHFFFAOYSA-N 318.352 1.862 0 40 DDAB CCOC(=O)Cn1cnc2oc(C)c(C(=O)OCC)c2c1=O 7552607 RSXIYPVHEAIXAX-UHFFFAOYSA-N 308.290 1.038 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 97051655 QIGHSDJBTNHSHM-CYBMUJFWSA-N 304.362 1.478 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@@H]1CC 70008403 PLHBSEJTVPUBHL-AWEZNQCLSA-N 324.425 1.354 0 40 DDAB CN(C(=O)CN1CCCC[C@@H]1Cn1cccn1)c1nccs1 70039898 BXZROLYNQUERLD-CYBMUJFWSA-N 319.434 1.857 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)c1 69445289 MJPPAKJHCYJAJJ-INIZCTEOSA-N 314.389 1.191 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)N(C)Cc2ccsc2)c1 71874833 ZNQQYSJENOFEFT-ZDUSSCGKSA-N 306.435 1.890 0 40 DDAB CC1(CNC(=O)NCC(C)(C)C(N)=O)Cc2ccccc2C1 91847031 PWSBHABWVBGVAL-UHFFFAOYSA-N 303.406 1.602 0 40 DDAB COc1ccccc1C[C@H](C)NC(=O)N1CCC(C(N)=O)CC1 71819720 KLZYFBMVGNPKBL-LBPRGKRZSA-N 319.405 1.533 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(Cc2nc3ccccc3o2)CC1 71867360 SHTOXJXDGPMGBX-OAHLLOKOSA-N 315.373 1.651 0 40 DDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(F)cc1 8656797 CLEITEGWXIIBIR-UHFFFAOYSA-N 313.292 1.113 0 40 DDAB CC(=O)Nc1nc(CN2CCC[C@H]2Cn2cccn2)cs1 69811395 ZRXJAJRDIBWWBS-ZDUSSCGKSA-N 305.407 1.963 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)no1 72298995 UZEJAPBKQZYIOI-FZMZJTMJSA-N 315.329 1.882 0 40 DDAB CCN(CCCNC(=O)c1ccc(C)cc1O)S(C)(=O)=O 72005792 LVMFORFWEYZBAS-UHFFFAOYSA-N 314.407 1.102 0 40 DDAB O=C(Cn1cnnn1)N[C@H](c1ccc(F)cc1F)C1CCCC1 95403739 JNZHJBNLDMSGPT-HNNXBMFYSA-N 321.331 1.999 0 40 DDAB O=C([C@@H]1CC1(Cl)Cl)N1CCC(O[C@@H]2CCOC2)CC1 75093544 IOLRNKOERZPNNC-MNOVXSKESA-N 308.205 1.977 0 40 DDAB O=C(O)CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCOc2ccccc21 89857780 AYKDYHSSFCXTKI-JSGCOSHPSA-N 319.357 1.645 0 40 DDAB Cc1oc(C)c(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c1C 76054732 OTUQEHALRUXPGJ-IAQYHMDHSA-N 306.406 1.998 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 76048040 RWZMRIHIIOVZRH-CQSZACIVSA-N 312.377 1.573 0 40 DDAB CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408709941 ZTDYUBGUPBXIEQ-JTQLQIEISA-N 303.362 1.432 0 40 DDAB NC[C@@H](c1ccc(Br)cc1)N1CC[C@H](C(=O)O)C1 35622902 OQKXCYUDIDMPHX-JQWIXIFHSA-N 313.195 1.855 0 40 DDAB COc1ccc(OC)c(Nc2nc3nonc3n3cnnc23)c1 408735882 XWUPGGHXTVJAHQ-UHFFFAOYSA-N 313.277 1.421 0 40 DDAB COc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(=O)oc2c1 33809272 VSPPGJZZNFHWIW-GFCCVEGCSA-N 303.314 1.710 0 40 DDAB CNC(=O)c1cn[nH]c1C1(C)CCN(c2ccnc(C)n2)CC1 72388873 XKDKWSSBXSXOGW-UHFFFAOYSA-N 314.393 1.426 0 40 DDAB COc1ccc(C[C@@]2(c3ccc(C)cc3)NC(N)=NC2=O)cc1 71975183 IFRNEWHTJLMTNF-SFHVURJKSA-N 309.369 1.886 0 40 DDAB O=C(NC[C@H]1CCN(C2CC2)C1)N[C@H](CO)c1ccccc1 79144145 BMFBBVHSSFGPHM-CZUORRHYSA-N 303.406 1.504 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(CC(=O)O)C1 79413717 GCTDHFGDJMMGHB-CQSZACIVSA-N 306.362 1.804 0 40 DDAB Cc1cccnc1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C 79358125 LVRJMRYKNJMQHY-QWHCGFSZSA-N 310.419 1.638 0 40 DDAB CCN(CC)CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccco1 72238388 ZDXFUTHKOXVSFW-OAHLLOKOSA-N 321.421 1.619 0 40 DDAB Cc1nn(C)c2cnn([C@H](C)C(=O)NCCCn3ccnc3)c12 41123784 HFMCQBKKSVFVJX-GFCCVEGCSA-N 315.381 1.042 0 40 DDAB Cc1ccc(CCNC(=O)NCc2nc(C3CC3)no2)cn1 78925390 FFONFADPWFVFDG-UHFFFAOYSA-N 301.350 1.692 0 40 DDAB CCc1nc(C2(NC(=O)[C@H](C)N3CC(C)C3)CCCC2)no1 568196702 KJYFFTZVGGIGQV-LBPRGKRZSA-N 306.410 1.858 0 40 DDAB O=C(NCCC1=CN=C(O)N[C@@H]1O)Nc1cccc(Cl)c1 225222398 CZWOEVTXUOVHGU-LLVKDONJSA-N 310.741 1.571 0 40 DDAB CO[C@@H](CNC(=O)c1cn(C)nn1)c1ccc(Cl)s1 225704292 UJYMAWSREIWUMQ-QMMMGPOBSA-N 300.771 1.648 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccccc2C)c1=O 225966824 IQYWMGNCIAQYGE-UHFFFAOYSA-N 300.314 1.920 0 40 DDAB COC(=O)[C@@H]1CCC(=O)N(Cc2ccc(OC)cc2OC)C1 143740386 JKDWYEIFIMZSQY-GFCCVEGCSA-N 307.346 1.615 0 40 DDAB O=C(NCCOC1CCCC1)c1ccccc1-n1ccnn1 97372638 RGIAHHHENVTJOO-UHFFFAOYSA-N 300.362 1.956 0 40 DDAB O=C(O)[C@H]1C[C@@H](O)CN1C(=O)COc1ccc2ccccc2c1 95883196 PYUFGFZTDDLMLZ-UKRRQHHQSA-N 315.325 1.265 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)NC3CCCC3)OCC(=O)N2C)cc1 96181479 MAHRMWJKOJDKNI-SJORKVTESA-N 316.401 1.952 0 40 DDAB CNS(=O)(=O)c1ccc([C@H](C)NC[C@H](C)SC)cc1 90725728 RLVCWTJPDATTSP-QWRGUYRKSA-N 302.465 1.997 0 40 DDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNc3ccccn3)C2)no1 96215204 JUUBCFFCXBQKGD-PBHICJAKSA-N 314.389 1.939 0 40 DDAB O=C(c1ccco1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96184437 WVTXVOZZPFIHRI-CABCVRRESA-N 304.390 1.995 0 40 DDAB O=C(c1ccncc1)N1CCc2nnc(Cn3cccc3)n2CC1 96259876 OXRWUYBRGOFVEO-UHFFFAOYSA-N 322.372 1.221 0 40 DDAB Cc1cnc(C(=O)N2CC[C@]3(C[C@H]3C(=O)N3CCCC3)C2)cn1 96227096 BNRMRTOHLZYYLP-GUYCJALGSA-N 314.389 1.260 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)CC[C@@H]1O 257324080 WNBGMGVCOMZZGW-RDJZCZTQSA-N 301.390 1.629 0 40 DDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cnco1 257311516 UJWKOPVSQVMEPX-INIZCTEOSA-N 316.361 1.173 0 40 DDAB COc1cccc(CNC(=O)c2cc3c(nc2N)CCNC3)c1 257290837 QENGEUCTJCUCRI-UHFFFAOYSA-N 312.373 1.248 0 40 DDAB COc1cc2nn(-c3ccc(S(=O)(=O)O)cc3)nc2cc1C 255188432 JVCJWZVEDBBXMY-UHFFFAOYSA-N 319.342 1.984 0 40 DDAB CNC(=O)CN1CCC(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 25232914 AGRUVNWDHXPGHS-GDBMZVCRSA-N 321.465 1.551 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1 151138052 UWBZKFYSLUUZGX-CYBMUJFWSA-N 323.374 1.528 0 40 DDAB COC(=O)CCCCNC(=O)NC[C@H](C)CN1CCCCC1 69244831 XDXPMCCBOVVMCF-AWEZNQCLSA-N 313.442 1.751 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)s1 71830374 DJPZNPNJJODFDE-LLVKDONJSA-N 307.419 1.940 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H](c2ccn[nH]2)C1)C1CCCC1 72282725 MCKWUQJOTPJITJ-GDBMZVCRSA-N 318.421 1.811 0 40 DDAB c1ccc(-c2ccc(N3CCN(c4ncccn4)CC3)nn2)nc1 1776008810 OLEJBLOXPXEYBT-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB Cc1ccc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nn1 1065950878 YZRCNOIXNJAIFC-GASCZTMLSA-N 316.405 1.106 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 37492354 JOIMSBHHHDXJCQ-UHFFFAOYSA-N 306.343 1.301 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H](N)[C@@H](NC(C)=O)C1 95626710 SEYYJZMDDOOQNB-KKUMJFAQSA-N 312.410 1.285 0 40 DDAB in-vitro CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 40520221 ZASBDQZTWLRIRV-SNVBAGLBSA-N 323.340 1.618 0 40 DDAB Cc1nncn1CCNC(=O)c1cc(Br)cn1C 96445333 LSGYHKOWENYKJE-UHFFFAOYSA-N 312.171 1.118 0 40 DDAB COc1ccc(CCNC(=O)C(=O)NCC(C)(C)C)cc1OC 5379594 TVHXIFILYLNTEM-UHFFFAOYSA-N 322.405 1.525 0 40 DDAB CNC(=S)N[C@@H]1c2c(ccc3ccccc23)OC[C@@H]1CO 5209283 CBJHNKGVFPNKEK-NHYWBVRUSA-N 302.399 1.976 0 40 DDAB Cc1cc(NC(=O)CNc2cc(S(C)(=O)=O)ccc2C)no1 11036884 VXZJKFRMNHFJSQ-UHFFFAOYSA-N 323.374 1.746 0 40 DDAB COc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1 11856436 TWEVDHVCDXTDPD-UHFFFAOYSA-N 310.361 1.688 0 40 DDAB Cc1nc(NC(=O)CSc2nnc[nH]2)nc2c1C(=O)CCC2 13635902 JNBLRZSNMVYZMD-UHFFFAOYSA-N 318.362 1.153 0 40 DDAB CC(=O)N[C@H](CC(=O)NCc1noc(C)n1)c1ccc(F)cc1 19286057 DCVJUQPUUFNFNW-CYBMUJFWSA-N 320.324 1.401 0 40 DDAB O=C(O)CCCN1CCN(C(=O)Cc2ccccc2Cl)CC1 157891579 VVPHNIONFFIBKC-UHFFFAOYSA-N 324.808 1.892 0 40 DDAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)[C@H]1CCCO1 11769090 JQXBITDPNOSNFH-SNVBAGLBSA-N 307.375 1.799 0 40 DDAB Cn1nccc1C(=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238826405 DVXPZACZPRDCDH-SSDOTTSWSA-N 315.255 1.452 0 40 DDAB O=C(Cn1cc(Cl)ccc1=O)Nc1ccc(C(=O)O)cc1 33509310 PCZJRJNXRBDIFF-UHFFFAOYSA-N 306.705 1.839 0 40 DDAB CCCNC(=O)CN(C)CC(=O)N[C@@H](c1ccccc1)C(C)C 11229989 WSRPDLWTRUPTNY-GOSISDBHSA-N 319.449 1.958 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CSc2nncn2C)c1 6063285 OKMLMTUGMNBJEI-UHFFFAOYSA-N 320.374 1.641 0 40 DDAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)N1CCNC1=O 12529837 VIJOXWAUHJTKTN-UHFFFAOYSA-N 320.349 1.860 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCOc2ccccc2)C[C@@H](C)O1 12982475 QJFHJWBBQCCELU-BETUJISGSA-N 314.407 1.009 0 40 DDAB Cc1nc(=NC2CN(c3ncnc4ccsc34)C2)s[nH]1 1888866992 SOZBEKHIGCXZLS-UHFFFAOYSA-N 304.404 1.574 0 40 DDAB O=C([C@H]1CN(Cc2cccc(Cl)c2)CCO1)N1CCOCC1 1889125059 RSVJRFVTURBNPF-OAHLLOKOSA-N 324.808 1.400 0 40 DDAB CN1CCCC[C@@]2(CN(CCc3ccccc3)CCO2)C1=O 2037981144 WSXRIGVZWABDSV-GOSISDBHSA-N 302.418 1.942 0 40 DDAB Cc1ocnc1C(=O)N1CC[C@@H]2OCC(=O)N(C(C)C)C[C@H]2C1 2037984524 DLXFCZUWUDIKJI-OLZOCXBDSA-N 321.377 1.081 0 40 DDAB CN1CCCC[C@]2(CN(C(=O)CC3CCCC3)CCO2)C1=O 2037984968 UAXPOKFIFRNUHN-KRWDZBQOSA-N 308.422 1.807 0 40 DDAB Cc1ncc(C(=O)N2CC3(C[C@@H](NCC4CC4)CS3)C2)cn1 2056224576 VWSCMVBTNFMMQU-CQSZACIVSA-N 318.446 1.485 0 40 DDAB COC(=O)c1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1 813594281 YFLBQMFHMSZSAJ-LBPRGKRZSA-N 321.377 1.972 0 40 DDAB O=C(CC1(O)CCC1)N1CCc2ncnc(-c3ccncc3)c2C1 1565556169 OYLJFLZQANXIOD-UHFFFAOYSA-N 324.384 1.728 0 40 DDAB O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCO 485601 BICIOCRAJCFFJV-UHFFFAOYSA-N 308.135 1.633 0 40 DDAB biogenic O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NC1CC1 13518072 WROKEACUCDBACT-UHFFFAOYSA-N 323.356 1.251 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)NC1CCCCC1)c1cccs1 23106553 VKWQRBGUVSIZFQ-ZDUSSCGKSA-N 323.462 1.916 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 100177734 MCRCTTSYWIYMIR-AYMQEEERSA-N 317.316 1.281 0 40 DDAB O=C(CN1CCSC1=O)NCc1ccc(N2CCCC2)nc1 31314897 SOHHQSOHSUZXOT-UHFFFAOYSA-N 320.418 1.467 0 40 DDAB CNC(=O)c1sc(Cc2nnc3n2CCCCC3)nc1C 40462443 QZGXILCMYOEFKS-UHFFFAOYSA-N 305.407 1.720 0 40 DDAB Cc1ccccc1N(CC(=O)Nc1ccncc1)S(C)(=O)=O 40476549 CLUONXZKUXOJMU-UHFFFAOYSA-N 319.386 1.795 0 40 DDAB CC(C)C[C@H](CNc1ncnc2[nH]cnc12)N1CCOCC1 40512415 CMFIAMIOUHXVDL-GFCCVEGCSA-N 304.398 1.512 0 40 DDAB CN(C)c1ccc(-c2noc(C(=O)NC[C@@H]3CCCO3)n2)cc1 20735612 GYDDEWKBTXQVJC-ZDUSSCGKSA-N 316.361 1.711 0 40 DDAB Cn1nnnc1SCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102151246 CRORGSPBEOGHRF-YGRLFVJLSA-N 309.439 1.729 0 40 DDAB CC1CCC(NC(=O)CN2CCC(N3CCNC3=O)CC2)CC1 52216366 AHSBDOSYMYZLRH-UHFFFAOYSA-N 322.453 1.171 0 40 DDAB CCC(C)(C)NC(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 52834700 GFWUDSVLCZNCCC-HNNXBMFYSA-N 317.433 1.854 0 40 DDAB O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(=O)[nH]c1 41423652 PMIFBPMMXIAWKB-UHFFFAOYSA-N 321.446 1.466 0 40 DDAB COc1ccc2c(c1)C[C@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O 854532 KPDIELDEQWIYKQ-KSSFIOAISA-N 309.321 1.890 0 40 DDAB CC(=O)N1CCCN(C(=O)CCc2nc(C(C)(C)C)no2)CC1 41788458 NFCGUZOLWQGWAL-UHFFFAOYSA-N 322.409 1.381 0 40 DDAB COC(=O)CC1(NC(=O)/C=C/c2ccc(C)o2)CCN(C)CC1 79013335 KLCKEKAFBDGARG-VOTSOKGWSA-N 320.389 1.745 0 40 DDAB CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 4763438 LCJOVPVEQHMTHB-WKPIXPDZSA-N 316.405 1.054 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCCCOC(C)C)cc1 7378718 GSUKCLOCBZTNAK-UHFFFAOYSA-N 314.407 1.738 0 40 DDAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 7449293 WIPKBKDVDUXTAF-SECBINFHSA-N 315.295 1.464 0 40 DDAB O=C(CC1CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 47647531 PSXFOKIPRCXXKZ-HNNXBMFYSA-N 308.422 1.807 0 40 DDAB Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)C)c(C)n1C1CC1 7575536 IPRZVGFESURTPW-UHFFFAOYSA-N 321.377 1.831 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)s1 54798024 YDHQQMQAZOXALB-GFCCVEGCSA-N 310.400 1.561 0 40 DDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1 54961277 CZJIGNZLOLBGCB-OAHLLOKOSA-N 304.390 1.639 0 40 DDAB COCCS(=O)(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 72230447 OMRKFNWPEKIQRV-CQSZACIVSA-N 301.408 1.958 0 40 DDAB COCCOc1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)cn1 57503504 QSEDVDVRBPBNAP-LBPRGKRZSA-N 319.365 1.514 0 40 DDAB COc1cc(OC)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 12614276 JFEXNEMJRIPESK-UHFFFAOYSA-N 316.357 1.939 0 40 DDAB O=C(NCc1ccc(=O)[nH]c1)c1cnc(-c2ccccc2)nc1 72288692 VQVHHVGEWFSRJS-UHFFFAOYSA-N 306.325 1.762 0 40 DDAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(=O)[nH]c1 12615344 VOCUXKPYLGUBFX-UHFFFAOYSA-N 311.341 1.653 0 40 DDAB Cc1csc(=O)n1CCN1CCC(NC(=O)C(C)C)CC1 48279029 ZIXOBQYKABJYCY-UHFFFAOYSA-N 311.451 1.455 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC2CCN(c3ncccn3)CC2)c1 44943072 UERJGHFPBAOFRV-UHFFFAOYSA-N 313.361 1.406 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCCS(N)(=O)=O 72253644 APRSVWKIVZHCIE-SNVBAGLBSA-N 320.846 1.197 0 40 DDAB Cc1nn(C(C)C)c2cnn(CCNC(=O)c3ccccn3)c12 57279712 AKGISQHOGSHFAI-UHFFFAOYSA-N 312.377 1.947 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N(C)Cc2ccccc2N)c1 97147764 OJSKPWINVVGIGL-UHFFFAOYSA-N 308.407 1.867 0 40 DDAB Cc1cc(N[C@@H]2CCc3ncnn3C2)nc(-c2cccnc2)n1 171545136 ZFJQBERJYXDYDG-CYBMUJFWSA-N 307.361 1.865 0 40 DDAB OC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1 97109429 FHVCJGSPGXKKTN-LBPRGKRZSA-N 309.366 1.466 0 40 DDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCCCCC1 3378184 KFKNAZUVOXDVCQ-UHFFFAOYSA-N 301.346 1.092 0 40 DDAB COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 59581649 ZEWWJSJMNBJIKR-ZDUSSCGKSA-N 308.378 1.843 0 40 DDAB in-vitro Cc1ccc2cc(C(=O)N3C[C@H](CO)OC[C@@H]3C)ccc2n1 97230322 JQCQMRSTBMDAJU-SWLSCSKDSA-N 300.358 1.765 0 40 DDAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 2534567 SLEQBXRYXSSUFW-UHFFFAOYSA-N 303.145 1.791 0 40 DDAB COc1ncccc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 48331712 CWVOPRLQCUBDMS-AWEZNQCLSA-N 307.394 1.177 0 40 DDAB CC(=O)c1cccc(OCCCC(=O)NCc2nc[nH]n2)c1 60453454 OFTCJLCNERJWJC-UHFFFAOYSA-N 302.334 1.483 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1O 3485368 UVHPTFOTXGBPLX-UHFFFAOYSA-N 314.725 1.437 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccncc1 3509014 NICHSSZRLWTEJZ-UHFFFAOYSA-N 305.315 1.038 0 40 DDAB CC[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccccc1 12910034 FXAAJADPYWKLTR-NSHDSACASA-N 300.318 1.633 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)N1CCCC2(C1)OCCO2 84489884 INUVCNUJFRIHLV-UHFFFAOYSA-N 320.345 1.829 0 40 DDAB Cc1ccccc1Nc1nc(N)nc(CN2CCOCC2)n1 13135462 FNGGOCYUHYQZGW-UHFFFAOYSA-N 300.366 1.338 0 40 DDAB O=S(=O)(NCCCN1CCOCC1)c1ccc2c(c1)CCC2 25665376 XLZPHRNVPCOUBC-UHFFFAOYSA-N 324.446 1.176 0 40 DDAB Cc1noc(N)c1C(=O)OCC(=O)N[C@@H](C)c1cccs1 9155301 IBCSQDDHKQQOSY-ZETCQYMHSA-N 309.347 1.661 0 40 DDAB CC(C)NC(=O)CSc1nnnn1-c1ccccc1Cl 5015480 UAPBWXDQBMQUBE-UHFFFAOYSA-N 311.798 1.932 0 40 DDAB O=C1NCCCC[C@@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 49980344 PAOLYVIPCCEDKM-ZETCQYMHSA-N 314.271 1.224 0 40 DDAB CCN(C)CCNC(=O)C1CCN(C(=O)c2cccs2)CC1 65403881 UBRFGVATAGFJSP-UHFFFAOYSA-N 323.462 1.668 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 4477211 JGEQFOKUVGZKHN-QGZVFWFLSA-N 317.389 1.712 0 40 DDAB CCc1noc(CS(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)n1 65564462 WGGOGHOPXCNUCF-ZETCQYMHSA-N 312.351 1.568 0 40 DDAB Cn1cc(CNC(=O)N2CCCN(CC(F)(F)F)CC2)cn1 65552772 CPGXRZSJBABSHU-UHFFFAOYSA-N 319.331 1.200 0 40 DDAB CCN(CCNC(=O)c1csc(-c2cnn(C)c2)n1)C1CC1 65606450 JDAOVVHFMYOJEF-UHFFFAOYSA-N 319.434 1.758 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 22740985 LOWNGLKNGKGCNB-AWEZNQCLSA-N 313.375 1.011 0 40 DDAB O=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)OCO2 7429921 VEJAQVYFZGUPJE-UHFFFAOYSA-N 314.293 1.947 0 40 DDAB CCc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7472443 PERFGILFBVNWMO-KRWDZBQOSA-N 315.373 1.908 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 71796563 WBSKQAFCNQLEOO-STQMWFEESA-N 307.398 1.311 0 40 DDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)CCC2=O)s1 24343118 GVRJVMBPPNHASU-UHFFFAOYSA-N 310.331 1.012 0 40 DDAB O=C1[C@@H](N2CCN(c3ncccn3)CC2)CCN1c1ccccc1 68783286 FDOVVJMVKDXDLI-INIZCTEOSA-N 323.400 1.404 0 40 DDAB CCOC1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 71820691 LSXIGXWTYGIGPE-UHFFFAOYSA-N 300.362 1.908 0 40 DDAB CCOc1ccc([C@@]2(O)C[C@@](O)(C(F)(F)F)NC(=O)N2)cc1 16732312 ADIRPQOUUJCVFF-NWDGAFQWSA-N 320.267 1.184 0 40 DDAB CC[C@H](C)S(=O)(=O)N1CCN(c2ncccc2Cl)CC1 95415233 UXBXBWCQDLRHOF-NSHDSACASA-N 317.842 1.985 0 40 DDAB CN(C)C[C@H]1CN(Cc2nc(-c3ccsc3)no2)CCO1 70039959 VALRYAPFCLRQCE-LBPRGKRZSA-N 308.407 1.561 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1ccn(-c2ccccc2)n1 69387840 DEAZOIZFJWAGGP-UHFFFAOYSA-N 320.312 1.527 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)C1(c2ccc(C)c(OC)c2)CC1 69416899 MILBXARKHZQWTQ-UHFFFAOYSA-N 318.417 1.972 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccncc2)n[nH]1 8476220 IMZWAUBMWKNMGR-MRVPVSSYSA-N 320.378 1.193 0 40 DDAB COC(=O)c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)nn1 69532095 OPGOXRDRGLPOHR-AWEZNQCLSA-N 317.320 1.980 0 40 DDAB Cn1cnc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)n1 91774902 IXNUIVWVCZXNKK-NSHDSACASA-N 307.379 1.160 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 69655182 ZBXKLTHHAFXICR-BMFZPTHFSA-N 319.449 1.473 0 40 DDAB C[C@H](CC(=O)OCCN1C(=O)NC(C)(C)C1=O)n1cccc1 69653458 YABMTOCHIOANRV-LLVKDONJSA-N 307.350 1.313 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)N1CCN(C[C@@H](C)O)CC1 69877526 SGJBLUOYRXZGKF-CABCVRRESA-N 306.406 1.117 0 40 DDAB CCc1nc(CN2CCC[C@@H](NCc3cnc(C)cn3)C2)no1 69848541 PXDYVOOMAGUNEO-CYBMUJFWSA-N 316.409 1.485 0 40 DDAB CCS[C@@H]1CCCCN(C(=O)NCCN2CCOCC2)C1 69808951 YIJCSXUXZFZSAL-CQSZACIVSA-N 315.483 1.636 0 40 DDAB CCOc1nnc(CNCC2CCN(C[C@@H](C)O)CC2)s1 69894843 PBZPVPKQIGFMTI-LLVKDONJSA-N 314.455 1.119 0 40 DDAB CCCN(C(=O)CN1CCN(C[C@@H](C)O)CC1)C1=CCCCC1 69949785 MCUPCLUFJKEBBN-MRXNPFEDSA-N 323.481 1.681 0 40 DDAB NC(=O)[C@@H](Sc1nnnn1C1CCOCC1)c1ccccc1 69973571 NVMCIFCJUCJORG-LBPRGKRZSA-N 319.390 1.343 0 40 DDAB Cc1ccc(OCC(=O)N2CCO[C@@H](c3noc(C)n3)C2)cc1 95468245 FPICHVCBTHYXOW-CQSZACIVSA-N 317.345 1.665 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 74101762 BFWLJTMAIUOLER-GFCCVEGCSA-N 316.810 1.162 0 40 DDAB C[C@@H](C1CC1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 74884368 WUWSERNUUMGYBM-LBPRGKRZSA-N 302.374 1.972 0 40 DDAB Cn1cc(CCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cn1 75120339 KMMLWXFYXHMTBP-UHFFFAOYSA-N 322.368 1.748 0 40 DDAB COC(=O)c1ccc(CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)s1 89920432 PEWJCHZTMDVJQH-YPMHNXCESA-N 322.430 1.835 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1C)CC2 76022948 KYQNECJEOAXWPZ-ZWNOBZJWSA-N 308.403 1.530 0 40 DDAB O=C(N[C@@H](C(=O)O)[C@@H](O)c1ccncc1)C1CCCCCC1 1548598646 FCSAPVDEQVJIHD-KGLIPLIRSA-N 306.362 1.655 0 40 DDAB C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)N=c1cc2ccccn2[nH]1 554534261 OIYLEVMEUSMBDJ-UKRRQHHQSA-N 313.405 1.847 0 40 DDAB Cn1ncc2c(N3CCCC3)nc(NCc3cccnc3)nc21 31817443 GDOTWXPZRNRMSP-UHFFFAOYSA-N 309.377 1.971 0 40 DDAB Cc1cn(C)nc1C(=O)NCCc1nnc(-c2ccccc2)o1 1545691294 WGEVSQZHNKUZMQ-UHFFFAOYSA-N 311.345 1.751 0 40 DDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C 217699702 MKTSVOVUGADSIZ-UHFFFAOYSA-N 300.380 1.893 0 40 DDAB COc1ccc(CN2CCn3cnnc3C2)cc1Cn1cccn1 72346440 DRBFVVYDNXCGLF-UHFFFAOYSA-N 324.388 1.547 0 40 DDAB O=C(CC1CCN(c2ncccn2)CC1)N1CCC(O)CC1 72366445 GMNLNQUKLJNTST-UHFFFAOYSA-N 304.394 1.066 0 40 DDAB O=S(=O)(NCC1CCCC1)c1cnn(-c2ccccn2)c1 72238937 FXTCSWGUDOPLBO-UHFFFAOYSA-N 306.391 1.736 0 40 DDAB COc1cc(C(=O)N2CCN(Cc3ccon3)CC2)ccc1C 77266987 ZBGOPQFJXHVFSR-UHFFFAOYSA-N 315.373 1.950 0 40 DDAB O=C1CCCN1CCNc1cccc(C[C@@H]2CCCNC2)n1 72365318 VAIAPVYMBSMTID-AWEZNQCLSA-N 302.422 1.658 0 40 DDAB CSc1ccsc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 71884046 CDUYXJNUBBXXML-NSHDSACASA-N 305.446 1.777 0 40 DDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCS(C)(=O)=O 44908301 KXMNHZMYGVORFL-LLVKDONJSA-N 319.448 1.128 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)N(C)Cc1ccco1 41124193 AKIVCKRLWMICLG-UHFFFAOYSA-N 301.350 1.813 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccoc2)c(C)c1 75171846 LADZDQNWBKHUKR-CYBMUJFWSA-N 311.359 1.609 0 40 DDAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 571526449 UDVPMRUIWACGJL-FIXISWKDSA-N 321.373 1.866 0 40 DDAB CC(C)S(=O)(=O)CCCN1CCC[C@H]1[C@@H](O)C(F)(F)F 195538785 ZLWOBWFOKXZNQN-WDEREUQCSA-N 317.373 1.587 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)NCc1nnc2ccccn12 88767713 AGSKUVUJHNJQIS-UHFFFAOYSA-N 320.349 1.488 0 40 DDAB CCO[C@@H]1CN(C(=O)c2cc(C)nn2CC)[C@@H]2CCCO[C@H]12 96042351 IDVWTNAXVOOFJL-YUELXQCFSA-N 307.394 1.620 0 40 DDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96157821 TULBAZGIQAIPLO-UHFFFAOYSA-N 314.389 1.341 0 40 DDAB O=C(CC1CCCC1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246505 NVVOWUOJXMESTH-BBWFWOEESA-N 322.449 1.657 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1 96049744 ZADNZXNNHRFMNO-INIZCTEOSA-N 324.446 1.700 0 40 DDAB Fc1cnc(N2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)nc1 96046125 RBZRBYQWAIYIRV-ZLKJLUDKSA-N 301.325 1.762 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC[C@H]2C(=O)O 91303014 RMPMTTNDESLAKQ-JTQLQIEISA-N 312.366 1.224 0 40 DDAB CN(C)c1ccc(C(=O)N2CCOC[C@H]2c2cccn2C)cn1 97379498 ULFCEEQNPKFOLT-HNNXBMFYSA-N 314.389 1.700 0 40 DDAB O=C1NCCN(C(=O)c2cn3cccnc3n2)[C@H]1c1ccccc1 96402609 OCXWKSFFJFIULX-AWEZNQCLSA-N 321.340 1.043 0 40 DDAB Cc1nsc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 96429427 KIFUFRCORXEQMX-AWEZNQCLSA-N 304.419 1.702 0 40 DDAB Cc1occc1C(=O)N1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1 96054435 XBQGZBHGEWUXJP-KGLIPLIRSA-N 314.345 1.108 0 40 DDAB Cc1cnc(N2C[C@H]3CN(Cc4cccnc4)C(=O)[C@H]3C2)nc1 96245091 HQOSARIEEJBBJO-CABCVRRESA-N 309.373 1.275 0 40 DDAB O=C(NCCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 239611926 FFKGCBNJQSABJE-OWCLPIDISA-N 304.390 1.865 0 40 DDAB C[C@@H]1CN(C(=O)CN2CCCCC2=O)[C@H](c2ccccc2)CO1 96433373 YHWYCRFDFKIGBH-ZBFHGGJFSA-N 316.401 1.988 0 40 DDAB O=C(c1cccs1)N1CCn2c(Cn3cncn3)cnc2C1 96061923 PYKQNJQTKMUHSO-UHFFFAOYSA-N 314.374 1.240 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1nc(C(C)C)no1)C2 97198724 VKNHPMVVUNLQIL-GFCCVEGCSA-N 317.393 1.762 0 40 DDAB Cc1cnc(N2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)nc1 96226793 ZUADPIDEYLKGQN-QGZVFWFLSA-N 318.421 1.639 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CO)C(=O)O 242728103 YTBYPGRVPSEQLK-WZRBSPASSA-N 318.778 1.304 0 40 DDAB C[C@H](CN1CCCCCC1)NC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 249589321 OVNZCTJFHXEKPA-VCCANDMLSA-N 321.465 1.662 0 40 DDAB O=C1CCCN1C[C@@H]1CN(C2CCCC2)Cc2ccnn2C1 248008320 UVUKUGIFZNLOKG-CQSZACIVSA-N 302.422 1.880 0 40 DDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2cc[nH]n2)CC[C@@H]1O 257307030 SWYDCXPEPGIKOC-ZFWWWQNUSA-N 316.361 1.158 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@H](Cc2cccnc2)C1 257270812 MVTFKHSORYJRDX-OAHLLOKOSA-N 312.373 1.120 0 40 DDAB CCOC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 298159095 NUGXOTQYDBCGTR-UHFFFAOYSA-N 304.272 1.774 0 40 DDAB CS(=O)(=O)N1CCC(c2cnc(-c3cn[nH]c3)cn2)CC1 257301924 SAOPNAKFLRQGHP-UHFFFAOYSA-N 307.379 1.006 0 40 DDAB Cc1cncc([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257228088 FSGFPSQTLPXRFR-CQSZACIVSA-N 308.345 1.805 0 40 DDAB O=C(C1CCNCC1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257212668 CEKPFQLRUIKAEB-HYVNUMGLSA-N 315.417 1.697 0 40 DDAB OC1(CN2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)CCOCC1 257293853 QRMDAIONHRFZFW-HYVNUMGLSA-N 318.417 1.712 0 40 DDAB Cc1ccccc1S(=O)(=O)N1CCOC[C@H]1c1ccn[nH]1 257256117 KKEAQZYUBZIEQY-ZDUSSCGKSA-N 307.375 1.480 0 40 DDAB CNC(=O)CN1CCC(NC(=O)c2cc(C)c(C)s2)CC1 25234454 HRLZIEQPEHVNRU-UHFFFAOYSA-N 309.435 1.305 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccco1)C2 585110808 JFVRUINAIRSMED-CYBMUJFWSA-N 300.362 1.345 0 40 DDAB CNc1ncccc1C(=O)N1CCC[C@H](OC)[C@@H]1CCC(N)=O 585277644 OAWDPJCESWFLSK-STQMWFEESA-N 320.393 1.008 0 40 DDAB C=CC(=O)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 585292795 SHLBPEBNWVRRFW-GFCCVEGCSA-N 310.361 1.902 0 40 DDAB O=C(CN1CCOc2cc(F)c(F)cc21)NC[C@H]1CCCO1 585140408 DHCQRPWYGJOZGS-SNVBAGLBSA-N 312.316 1.459 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H](CNC3CCOCC3)[C@@H](C)C[C@H]21 1775964418 QXJDRUQNTUJWGS-ARLBYUKCSA-N 310.438 1.275 0 40 DDAB biogenic,in-vitro Cc1nc(CN(C)[C@H]2CCN(Cc3nc(C4CC4)no3)C2)no1 76047327 MMDOLZOGWMJMCX-LBPRGKRZSA-N 318.381 1.345 0 40 DDAB Nn1cnnc1SCC(=O)Nc1ccccc1C(F)(F)F 5556888 FRNLKRORWPONBR-UHFFFAOYSA-N 317.296 1.742 0 40 DDAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccco1 13571692 MNISBDRHLNYGOA-MRVPVSSYSA-N 303.347 1.743 0 40 DDAB Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)n2)cc1 16524015 FMXXLFJDRUPSMP-UHFFFAOYSA-N 315.358 1.650 0 40 DDAB Cn1cc(CN2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)cn1 19692423 SZUJNBMQRUUGKQ-QGZVFWFLSA-N 324.388 1.779 0 40 DDAB COc1ccccc1/C=C1\SC(=O)N(CCNC(C)=O)C1=O 1701170 MOMXTCHWIDYNPU-LCYFTJDESA-N 320.370 1.868 0 40 DDAB Cc1ccccc1N1C(=O)[C@@H]2ON=C(C(=O)c3ccco3)[C@H]2C1=O 100355237 DKYXYHSXOOWNCQ-IUODEOHRSA-N 324.292 1.715 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3snnc3C)C2)nn1 225461374 HXJJOJQTPGSJCL-LLVKDONJSA-N 319.390 1.629 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)n1 225403500 XYKRSLCOLQMSEZ-KGLIPLIRSA-N 316.405 1.879 0 40 DDAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cnccn2)cc1 12428193 ZQVHOEKRRNHGBK-UHFFFAOYSA-N 307.313 1.693 0 40 DDAB C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccnn3C)cn2)CCO1 249048883 WVYGFWHAEJBOCM-ZIAGYGMSSA-N 315.421 1.891 0 40 DDAB NS(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccco2)cc1 9836636 PMRRTMAQCZEEKZ-VMPITWQZSA-N 306.343 1.257 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2ncon2)C1 238810919 AHAUEEJVMGRSKH-LLVKDONJSA-N 323.374 1.565 0 40 DDAB O=C(Cn1ccccc1=O)N1CCc2ncnc(C3CC3)c2CC1 2055731781 VGDPALFAEMQHPP-UHFFFAOYSA-N 324.384 1.143 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)cn1 2055732321 BCWYLMGRBNAEJA-CYBMUJFWSA-N 314.389 1.727 0 40 DDAB O=C(COc1cc(=O)n2ccccc2n1)Nc1ccc(F)cc1 23141337 LXVQMWGBQJKXRY-UHFFFAOYSA-N 313.288 1.851 0 40 DDAB CCC[C@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 40091142 AZCSFHVFOZYSIP-QWHCGFSZSA-N 316.405 1.972 0 40 DDAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1 42124 FYTOAXXWBQARKP-UHFFFAOYSA-N 310.419 1.676 0 40 DDAB N[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 50242203 GLKYHZNZYAKUJF-MRVPVSSYSA-N 310.297 1.307 0 40 DDAB CCONC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32848318 OXGBAVKONCWYGY-LBPRGKRZSA-N 316.354 1.047 0 40 DDAB CC(=O)c1cccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 102773769 UDUGELMMXHVKFQ-NWDGAFQWSA-N 310.400 1.543 0 40 DDAB CN1N=C(C(=O)NCc2nc3ccccc3s2)CCC1=O 21904863 OKIHBEJYBQKBKP-UHFFFAOYSA-N 302.359 1.521 0 40 DDAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 50729 XCGJKDFFRDFNME-NSHDSACASA-N 305.783 1.816 0 40 DDAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1cccc(O)c1 202824 WEDUZIRGFOOZAO-ZDUSSCGKSA-N 304.302 1.557 0 40 DDAB COC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 418379 CPRXEUIIJNVKRA-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OC)cc1 569488 MMZHURBUNOZRCQ-UHFFFAOYSA-N 320.378 1.219 0 40 DDAB Cc1nnc2ccc(N[C@@H]3CCCN(c4cnn(C)c4)C3)nn12 78368543 LIRNHKDKCZZLSM-GFCCVEGCSA-N 312.381 1.247 0 40 DDAB O=C(c1ccc2c(c1)COC2)N1CCN([C@H]2CCC[C@@H]2O)CC1 78788881 HVXMSZQDXCYBNN-IRXDYDNUSA-N 316.401 1.388 0 40 DDAB Cc1cc(C)nc(SCC(=O)NCCC(=O)N2CCCC2)n1 78906775 DGMQENQFMHHGQQ-UHFFFAOYSA-N 322.434 1.314 0 40 DDAB CCCCn1nc(C)c(C(=O)N2CC[C@@H](C(N)=O)C2)c1Cl 53891548 PSRYASKNUSTBJG-SNVBAGLBSA-N 312.801 1.592 0 40 DDAB C[C@H](CNC(=O)NCc1ccc(F)cc1)N1CCN(C)CC1 23247159 YNGQNAWBIXPAMA-CYBMUJFWSA-N 308.401 1.261 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cncc(F)c1)C2 108532973 GCTNOJLYSMPQHB-BBRMVZONSA-N 305.353 1.599 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)n1 54661748 RLSBVNFYDSKNQC-OLZOCXBDSA-N 320.393 1.341 0 40 DDAB Cc1cccc(OC[C@H](C)NC(=O)NCC(=O)NC(C)C)c1 54612597 AOPVXTAYYGGSJW-ZDUSSCGKSA-N 307.394 1.586 0 40 DDAB C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C[C@@H](C)O1 12530919 RWUHLABFPOOQIR-BETUJISGSA-N 315.373 1.805 0 40 DDAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccc(F)cc1F 25064176 JIJRJWSTGZWYEC-SECBINFHSA-N 311.332 1.773 0 40 DDAB O=C(NCCOc1ccccc1)NC[C@H]1CN2CCC[C@H]2CO1 106905401 RGTSLOJGOUMVQF-HOCLYGCPSA-N 319.405 1.228 0 40 DDAB C[C@@H](CNS(=O)(=O)N1CC[C@@H](C)C1)N(C)c1ccccc1 108170378 HFCXZXFOSMLHAH-KGLIPLIRSA-N 311.451 1.688 0 40 DDAB COc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C)cc1OC 26845432 LUPYNLQDUIVVEP-LLVKDONJSA-N 315.391 1.422 0 40 DDAB C[C@H]1CCC[C@@H](NS(=O)(=O)CCn2nnc3ccccc32)C1 26875745 CEASJCCIFXXCEC-QWHCGFSZSA-N 322.434 1.929 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)c1ccccc1Br 178913394 WUJKSDZTPWVYFQ-LBPRGKRZSA-N 300.152 1.330 0 40 DDAB Cc1cc(C(=O)NCCNc2ncnc3sccc23)[nH]n1 48261607 RVBRNGSUYLYBMU-UHFFFAOYSA-N 302.363 1.565 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCCC2)c(Cl)c1 58292155 RXTNFRGMIZOLBJ-UHFFFAOYSA-N 303.767 1.911 0 40 DDAB CNC(=O)CSc1nc(-c2ccc(OC)cc2OC)n[nH]1 58217690 GXKCHDCFWAFAOF-UHFFFAOYSA-N 308.363 1.327 0 40 DDAB C[C@@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)S(C)(=O)=O 44936394 UFDHVYUHSYCILQ-LBPRGKRZSA-N 321.402 1.264 0 40 DDAB Cn1c(S[C@@H]2CCOC2=O)nc2sc3c(c2c1=O)CCC3 3373696 AVXFKNNGTUBKFD-SECBINFHSA-N 322.411 1.891 0 40 DDAB Cn1nnc2cc(C(=O)O[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc21 110609566 IKLANMQESYWBLQ-DDTOSNHZSA-N 301.346 1.939 0 40 DDAB COC(=O)C(=NNc1ccc(Br)cc1)C(=O)OC 105252176 GFXZXZDCFXPJKB-UHFFFAOYSA-N 315.123 1.563 0 40 DDAB CCn1nc(C)c2c(C(=O)NC[C@H]3CCCO3)cc(C)nc21 28246788 VZSPYIXIPFQXNI-GFCCVEGCSA-N 302.378 1.977 0 40 DDAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(C2CC2)C1 29460718 XWYCOKBOUUQYPG-GFCCVEGCSA-N 316.357 1.085 0 40 DDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccn1 37117529 YYMQGIOKEIYYRL-MRXNPFEDSA-N 311.385 1.712 0 40 DDAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)c1 70918628 ZOEMDANDWJMIIB-UHFFFAOYSA-N 312.373 1.711 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1=Cc2ccccc2OC1 63843601 FUINMHHNGTVJSQ-DGCLKSJQSA-N 300.358 1.575 0 40 DDAB COCCn1ccc2ccc(NC(=O)N3CC[C@@H](O)C3)cc21 92840474 WJYCFFJNZRLMRI-CQSZACIVSA-N 303.362 1.886 0 40 DDAB C[C@H](CO)NC(=O)NCc1ccc(F)c(Cn2ccnc2)c1 65453893 PSJRUFYBGAYXDS-LLVKDONJSA-N 306.341 1.251 0 40 DDAB c1ccc(-n2ncc(CN3CCC4(CC3)OCCO4)n2)cc1 65539743 SPXODVXYCKBVJU-UHFFFAOYSA-N 300.362 1.606 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)C[C@H]1C=CCC1)C2=O 14121792 PBQLFXUDAFIRBV-BGMSHATGSA-N 305.378 1.875 0 40 DDAB O=C(OCC(=O)N1CCOCC1)c1occc1-c1ccccc1 14135326 ANYKUCMQZFQEJN-UHFFFAOYSA-N 315.325 1.962 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1nc(-c2cccs2)n[nH]1 66430762 UOYKUYVZZDRWBO-UHFFFAOYSA-N 317.374 1.997 0 40 DDAB Cc1cc(NC(=O)CCn2nnc(-c3ccsc3)n2)no1 67446425 PNRAARLUGHHHQW-UHFFFAOYSA-N 304.335 1.727 0 40 DDAB Cc1nc2n(c1CN1CCN(c3ncccn3)CC1)CCCC2 96005708 JSOWHUMIMXWZCD-UHFFFAOYSA-N 312.421 1.640 0 40 DDAB O=C(Cn1cc(CCCO)c(C(F)(F)F)n1)N1CCCCC1 96496772 SPCNXIIVSLALFB-UHFFFAOYSA-N 319.327 1.839 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CNc1c(C)cccc1C 96426261 ROOCHFRYSYDHDW-CQSZACIVSA-N 305.422 1.992 0 40 DDAB COCCNC(=O)CN(C)Cc1ccc(-n2cccn2)cc1 16386594 KZVPEBZWKDMKNP-UHFFFAOYSA-N 302.378 1.067 0 40 DDAB C[C@H]1C[C@H]1C(=O)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 16582796 CDNHAOQFFDPWDW-CMPLNLGQSA-N 304.346 1.633 0 40 DDAB Cc1ccc2[nH]c(SCC(=O)NCC(=O)NC(C)C)nc2c1 8065662 MJXWADWBUNGQPK-UHFFFAOYSA-N 320.418 1.604 0 40 DDAB CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)NC1=S 409004392 AXYDIPRQRMZPBT-WQLSENKSSA-N 320.370 1.316 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H](C(=O)N(C)C)C1 68970487 XHIDKPFIQIXXMU-ZFWWWQNUSA-N 322.380 1.840 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCNc1ncc(S(N)(=O)=O)s1 69484061 LQQNPZKTALMRFF-UWVGGRQHSA-N 319.452 1.798 0 40 DDAB CCc1noc([C@@H](C)N2CCN(CCc3ccncc3)CC2)n1 69418224 LYDAIORHIVKJHW-CQSZACIVSA-N 315.421 1.948 0 40 DDAB CC(=O)N(C)CC(=O)NCc1ccnc(OC2CCCCC2)c1 69507887 HQESZKPSUWHYLI-UHFFFAOYSA-N 319.405 1.888 0 40 DDAB O=C(c1cc[nH]n1)N1CCN(c2nc3cccnc3s2)CC1 69512929 PONLFIIYWKCEFY-UHFFFAOYSA-N 314.374 1.377 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccn2)cc1 9469178 FLHFELIGFSTIAF-UHFFFAOYSA-N 305.359 1.550 0 40 DDAB CN(CC(N)=O)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 69666712 OLWUHTKDNUKHIW-UHFFFAOYSA-N 323.418 1.459 0 40 DDAB CN(C)c1ncccc1C(=O)NCc1ccnc(-n2ccnc2)c1 69621727 JKCFAADYLZGYSL-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1ccccn1 69741948 MOVRUKYMCYPMKK-KRWDZBQOSA-N 314.341 1.822 0 40 DDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccco1 18165033 XVDBRNNDDKMWPB-GFCCVEGCSA-N 304.306 1.350 0 40 DDAB CN(CCN1CCN(CCC(=O)O)CC1)Cc1ccccc1 69947194 XAMCWQWYVPNIRU-UHFFFAOYSA-N 305.422 1.211 0 40 DDAB C[C@H]1CN(C[C@H](O)CN2CCC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 71876861 APFXFVVMAXHYED-HDEZJCGLSA-N 322.453 1.027 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)NCc2ccccn2)C1 9763546 ZJHMVNPALKLHQP-OKILXGFUSA-N 303.406 1.983 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282854 ZSRHVBNFWKHQMD-AAEUAGOBSA-N 307.398 1.343 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2nccnc2N)C12CCCC2 72293747 WBRGGJOMOYYHOU-VXGBXAGGSA-N 304.394 1.869 0 40 DDAB CC(C)c1ccc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)s1 97137617 WDXSYZSZPKIPTL-UHFFFAOYSA-N 321.406 1.804 0 40 DDAB COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 85876779 WQJHTWMREUGZRO-LBPRGKRZSA-N 313.309 1.911 0 40 DDAB biogenic Cn1c(=O)c2c(nc3[nH]c(-c4ccc(F)cc4)cn32)n(C)c1=O 9975146 IWXXSLUBXVSBJA-UHFFFAOYSA-N 313.292 1.019 0 40 DDAB COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cn1 89466105 PGXRNEHUQTZEAO-CYBMUJFWSA-N 300.314 1.516 0 40 DDAB O=C(NCCCc1cccc(F)c1)N1CCN(C2CC2)C(=O)C1 75093571 UQBKCJMDPWNZEF-UHFFFAOYSA-N 319.380 1.775 0 40 DDAB Cc1n[nH]c2ncc(CN[C@H]3CCCN(c4ncccn4)C3)cc12 89568206 JNVDKAHKJMXQSK-AWEZNQCLSA-N 323.404 1.815 0 40 DDAB CN(c1ncnc2c1CCC2)[C@@H]1CCCN(c2cccnn2)C1 75128524 IMYWCQVJSQHQFG-CYBMUJFWSA-N 310.405 1.861 0 40 DDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3ccno3)C2)C1=O 89869802 WXLFNFUNEMPEAZ-WBMJQRKESA-N 320.393 1.606 0 40 DDAB Cc1cccc(C)c1CN1CCN(CCS(C)(=O)=O)CC1 89934427 MQPSDDRDQUNUEC-UHFFFAOYSA-N 310.463 1.466 0 40 DDAB CC[S@](=O)CCNCc1cc(Cl)c2c(c1)OCCO2 75612348 CWMIIFHUWUUTCK-LJQANCHMSA-N 303.811 1.969 0 40 DDAB Cc1oc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1C 75606519 PYPLTXSLKQIXCC-CABCVRRESA-N 306.406 1.876 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1ccccc1C 76020313 SJRWJDMABOPSCJ-KBPBESRZSA-N 310.419 1.801 0 40 DDAB COc1ccc(NS(=O)(=O)N2CCOCC2)c2ncccc12 547434406 HPMGPSITMVGLMA-UHFFFAOYSA-N 323.374 1.232 0 40 DDAB Cc1ncc(CO)c(CN(Cc2cnn(C)c2)C2CC2)c1O 67676684 NEANFSIDMBJJLO-UHFFFAOYSA-N 302.378 1.486 0 40 DDAB CCOC(=O)C[C@H]1C(=O)NCCN1Cc1c[nH]c2ccccc12 35907736 OMBGZJFQUZTUTJ-HNNXBMFYSA-N 315.373 1.422 0 40 DDAB C[C@@H](C(=O)N(C)[C@H]1CCC(=O)N(C)C1)n1cnc2ccccc21 557105982 GDXNFLXIGMEJSR-STQMWFEESA-N 314.389 1.677 0 40 DDAB COC(=O)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(CF)o1 32624772 KFMSXYDABJDTFR-LLVKDONJSA-N 307.281 1.492 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241890 MCRUEIPRYRPHCE-DZGCQCFKSA-N 308.353 1.498 0 40 DDAB Cc1nccc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72364455 BVYFWELHFWJOGE-ZDUSSCGKSA-N 322.390 1.916 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CN(C(=O)CN)C1CC1 79391153 NITAIYYWHWBLRV-ZDUSSCGKSA-N 311.426 1.726 0 40 DDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc(Cl)n(C)n1 72242581 PRMQEASJHGOHED-NSHDSACASA-N 305.769 1.979 0 40 DDAB Cc1ccc2c(N3CCS(=O)(=O)C[C@@H](C)C3)ccnc2n1 568161392 SWXPHAIPNACJIR-NSHDSACASA-N 305.403 1.809 0 40 DDAB C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)Cn1ccnc1 81801662 SDQVHICILBIOPY-ZDUSSCGKSA-N 310.361 1.530 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 40465610 RPQXXDMRWCWXNA-LRDDRELGSA-N 304.346 1.147 0 40 DDAB CCCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223581298 OLLILVRKTARXPD-UHFFFAOYSA-N 320.440 1.601 0 40 DDAB Cc1nsc(N2CCCN(C(=O)NCc3ccco3)CC2)n1 80627501 CMAMWEQGVVCTGZ-UHFFFAOYSA-N 321.406 1.861 0 40 DDAB CCN1C[C@H](COC(=O)c2ccc3c(c2)nc(C)n3C)CC1=O 97374864 PACZUQPCUDLWFO-GFCCVEGCSA-N 315.373 1.907 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)Nc1ccccc1 96296128 KNIKQEAMJDKNBO-OAGGEKHMSA-N 319.405 1.469 0 40 DDAB biogenic,in-vitro O=C(Cn1cnnn1)NCCc1c[nH]c2ccc(Cl)cc12 96431370 SXUWJIHQIFGHRJ-UHFFFAOYSA-N 304.741 1.167 0 40 DDAB CCO[C@H]1C[C@H](N(C)CCNS(C)(=O)=O)C12CCCC2 96419696 COLJQGOGPIYXRP-STQMWFEESA-N 304.456 1.205 0 40 DDAB Cc1cnc(N2CCC3(CC2)C[C@H]3C(=O)NCC2CC2)nc1 96227801 GPGKMILYYVNPDN-AWEZNQCLSA-N 300.406 1.918 0 40 DDAB COc1ncccc1C(=O)N1CCC2(CC1)C[C@H](OC)CO2 96106548 RLGVFQVAZHYBFA-LBPRGKRZSA-N 306.362 1.500 0 40 DDAB O=C(N1CCCC1)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1 96208742 LHGPJBJCCQVKAZ-RHSMWYFYSA-N 321.421 1.448 0 40 DDAB CC(=O)N1C[C@H]2C3(CCNCC3)CC[C@@]2(C(=O)NCC(C)C)C1 96143773 DZCWOZHITGEXHF-MAUKXSAKSA-N 321.465 1.387 0 40 DDAB CN(C)CCO[C@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 96057456 IGQZFOLUTYTEPY-IKGGRYGDSA-N 305.422 1.392 0 40 DDAB COC[C@@H]1CN(C(=O)C2CCSCC2)Cc2cncn2C1 96206504 ATPPBNLUIQRHET-GFCCVEGCSA-N 309.435 1.631 0 40 DDAB C[C@@H](C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)N1CCN(C)CC1 97374920 FUHDJLYRFKNJKU-GJZGRUSLSA-N 319.449 1.418 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCC4)O[C@@H]3C2)nn1 96066107 OYPZYFFGLAQLTQ-NWANDNLSSA-N 316.405 1.438 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1nccs1 96060546 MKTCJMPHVMTBAG-CYBMUJFWSA-N 319.434 1.890 0 40 DDAB Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)cc1F 96069002 RCXVGSIYAMBQOO-TZMCWYRMSA-N 308.353 1.754 0 40 DDAB Cc1cccc2c1OC[C@@H](NC(=O)[C@@H]1CCc3nncn3C1)C2 332800631 SYJNHJUUMIYNJT-KGLIPLIRSA-N 312.373 1.269 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCc1nn(C)c2c1COCC2 96103977 APQJCKZGDVLPSG-LBPRGKRZSA-N 315.373 1.577 0 40 DDAB COCc1nn(CC2CC2)c2c1CN(C(=O)c1ccc[nH]1)CC2 96084926 HKBJZNLKYJXUCZ-UHFFFAOYSA-N 314.389 1.966 0 40 DDAB O=C1CC[C@]2(CCCN(Cc3csnn3)C2)N1CC1CC1 96071196 JWPSZTQVIMSVMT-HNNXBMFYSA-N 306.435 1.905 0 40 DDAB CSC[C@H](C)C(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449813 DNEDWERGIBVJMC-JTQLQIEISA-N 314.842 1.778 0 40 DDAB Cc1nnc(N2CC3(CC[C@@H](CN4CCCC4=O)CO3)C2)s1 248018742 LJVMFTRISXFCAE-LBPRGKRZSA-N 322.434 1.454 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cncnc3)C[C@@H]21 257279420 OGMUFGCTBOWLRW-OWCLPIDISA-N 310.405 1.613 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2cnc(C)cn2)O1 252550526 SPGYZFHWSSKCED-GHYVTOPFSA-N 319.361 1.109 0 40 DDAB COc1cc(CCC(=O)N2CC[C@H](c3nc(C)cn3C)C2)on1 257271863 NACKSLFFRVLFBK-LBPRGKRZSA-N 318.377 1.674 0 40 DDAB C[C@@H]1CN([C@H](C)c2nnnn2C2CCCCC2)CCN1CCO 252572571 ZKSASEAYAOFYIA-ZIAGYGMSSA-N 322.457 1.238 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)CCOc2ccccc2F)C1 257215218 CPEJLDVWCSTQMF-INIZCTEOSA-N 310.369 1.120 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cc[nH]n3)n2)C1 257229804 FZOBPQVRYVTBBP-JTQLQIEISA-N 307.379 1.006 0 40 DDAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCOCC1 253402423 OIEPRUZLFGSSDM-JTQLQIEISA-N 303.318 1.262 0 40 DDAB biogenic,in-vitro CCc1ccccc1NC(=O)CN1CCN(CC(C)(C)O)CC1 69897676 RFZUHFOAVOHDFM-UHFFFAOYSA-N 319.449 1.576 0 40 DDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2cccs2)[C@H]2CO[C@@H]1O2 952844732 HTRIDOAMTCLHMW-ARILJUKYSA-N 321.402 1.069 0 40 DDAB biogenic,in-vitro COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)C2 84714270 UZEFCOOTGIPIIU-XPKDYRNWSA-N 318.417 1.655 0 40 DDAB C[C@H](NC(=O)N1C[C@H]2CC=CC[C@H]2C1)C(=O)N1CCCCC1 83995724 ZKICDCVPXJKYOH-SOUVJXGZSA-N 305.422 1.995 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)CCC2)NC[C@@H]1CCC[C@@H]1O 84451998 RVWWKPGQLKJWRU-HOTGVXAUSA-N 316.401 1.182 0 40 DDAB O=C(c1cccc(OCC(F)F)n1)N1CCOC[C@H]1C1CC1 89978514 PZDPZODHGIQEGC-LBPRGKRZSA-N 312.316 1.977 0 40 DDAB CCO[C@H](C)C(=O)N(C[C@H]1CN(C)CCO1)c1nccs1 95402124 WGONJPLRKVBTLO-VXGBXAGGSA-N 313.423 1.232 0 40 DDAB CCc1n[nH]c([C@H]2CN(Cc3nnsc3Cl)CCO2)n1 83830171 QOLHRRBUIUBDHM-MRVPVSSYSA-N 314.802 1.446 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1F 13075149 YSKRMZGURZCUGN-UHFFFAOYSA-N 310.306 1.397 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1cnccn1 13226900 NAAMWUXCHFMPLZ-SMDDNHRTSA-N 320.356 1.730 0 40 DDAB COc1cccc(OC)c1CN1C[C@H]2CCCN2C[C@@H]1CCO 19566982 AUGVTKHFMSHJRZ-CABCVRRESA-N 320.433 1.735 0 40 DDAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 16899607 PGVYZTOFBSMEEA-LBPRGKRZSA-N 307.371 1.923 0 40 DDAB CCOC(=O)N[C@@](OC(C)C)(C(=O)OCC)C(F)(F)F 3118474 VYOMUGZULVYMMD-SNVBAGLBSA-N 301.261 1.979 0 40 DDAB CCC(CC)(CNC(=O)N1CC[C@@H](C)[C@H](C(=O)O)C1)OC 520576678 OZHCBDUKZZBWAN-VXGBXAGGSA-N 300.399 1.944 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H](NC[C@H]1CCCO1)C(=O)O 4279957 KKJFHANHEJFZNG-TZMCWYRMSA-N 306.362 1.545 0 40 DDAB Cc1cccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1 3348251 LBDNZGBSWXSCEN-UHFFFAOYSA-N 315.358 1.772 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCO1 11517983 JXZFFDUOTPAYHI-JTQLQIEISA-N 321.764 1.297 0 40 DDAB CC(=O)Nc1ccccc1OCc1nc(N)nc(N(C)C)n1 16341254 CVAVUUFADZMDCX-UHFFFAOYSA-N 302.338 1.057 0 40 DDAB Cc1cc(C)nc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087139273 YGMRLJYTGZRCOI-UHFFFAOYSA-N 324.450 1.486 0 40 DDAB COc1cc(C(=O)N2CCC[C@@]3(CC2)CN(C)CCO3)on1 2055785312 SGGLUFHILAYAOM-OAHLLOKOSA-N 309.366 1.010 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NS(C)(=O)=O 30692465 SODWIYLUMCPADX-LBPRGKRZSA-N 314.363 1.184 0 40 DDAB O=C1[C@@H]2OC[C@H](O2)[C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@H]12 100250687 CLDOBSIZFBVYSI-UPUYHNEZSA-N 302.370 1.958 0 40 DDAB biogenic,in-vitro O=c1c2ccc(F)cc2ncn1C[C@H](O)COCc1ccco1 40477428 KJOYJKHACDOUJC-LBPRGKRZSA-N 318.304 1.706 0 40 DDAB CCCn1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c2ccccc21 50810412 PLNWMGJATUSVLF-HNNXBMFYSA-N 315.373 1.378 0 40 DDAB Cc1ccccc1C[C@H](C)NC(=O)CN1CCC(C(N)=O)CC1 51186430 BRTLDWIXDMKIIW-AWEZNQCLSA-N 317.433 1.240 0 40 DDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1 20567542 ULSCUCQVDRCPNV-GFCCVEGCSA-N 314.389 1.818 0 40 DDAB O=C1CCSc2ccc(S(=O)(=O)N3CCCC3)cc2N1 20578717 PVMWBEQHKNMMDE-UHFFFAOYSA-N 312.416 1.905 0 40 DDAB CC1=NNC(=O)[C@@H]1CCNC(=O)[C@@H](C)Oc1cccc(C)c1 101128352 AKMKEZKQNIKCNY-TZMCWYRMSA-N 303.362 1.391 0 40 DDAB CS(=O)(=O)N1CCN(CCCOc2ccc(F)cc2)CC1 52798241 GKIVSDFUPQZRQD-UHFFFAOYSA-N 316.398 1.172 0 40 DDAB CC(C)(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 33047846 QVHKKJLRSOJONS-UHFFFAOYSA-N 316.398 1.215 0 40 DDAB COC(=O)[C@H](C)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22039406 DEMFGFNRDFUPMB-CYBMUJFWSA-N 320.389 1.342 0 40 DDAB O=C(NCc1ccoc1)NC[C@H]1CCN(CC(F)(F)F)C1 46953811 JYXQBHNRUNOIIL-SNVBAGLBSA-N 305.300 1.963 0 40 DDAB O=C1C[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1 1069672 GRPOMIIPZZVKAO-GFCCVEGCSA-N 308.765 1.039 0 40 DDAB O=S(=O)(C[C@H](O)C(Cl)(Cl)Cl)N1CCCCC1 1572076 LPGNARFRVHIJKZ-ZETCQYMHSA-N 310.630 1.533 0 40 DDAB CCOC(=O)NC(NC(=O)OCC)c1ccc2c(c1)OCO2 1604378 KZCMBQGNHKIABO-UHFFFAOYSA-N 310.306 1.906 0 40 DDAB O[C@@H](CC(O)(C(F)(F)F)C(F)(F)F)[C@@H](O)c1ccco1 1637009 BNRJVCNLYBKRKO-CAHLUQPWSA-N 308.174 1.920 0 40 DDAB CCOCC(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 78678581 TZHPNBVKTLTJAR-CQSZACIVSA-N 302.334 1.242 0 40 DDAB Cc1cc(C(=O)Nc2ccnc(N(C)C)n2)ccc1-n1cncn1 78985707 UUGBBKDAFICCKZ-UHFFFAOYSA-N 323.360 1.684 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4756697 MCJBDBZNSLAVGZ-SUHUHFCYSA-N 308.403 1.977 0 40 DDAB COCCN1CCC(CNC(=O)c2ccccc2OC)CC1 23014249 UFWIGLRXNSMALX-UHFFFAOYSA-N 306.406 1.783 0 40 DDAB CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 23111259 YMPHNONKJCCTNC-SECBINFHSA-N 311.179 1.938 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1Cl 102353024 CEHHARBVLAPYBK-CYDGBPFRSA-N 323.732 1.941 0 40 DDAB C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 47747309 WDUCYUGCKFHAMC-VHSXEESVSA-N 313.375 1.068 0 40 DDAB O=C(N[C@@H]1CCOc2ccccc21)c1ccnc(-n2cncn2)c1 54673369 QFEWSLFHQWQVNG-CQSZACIVSA-N 321.340 1.916 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc[nH]c3=O)cn2)n1 24786483 WHQZBFPFYVDFCN-UHFFFAOYSA-N 309.329 1.825 0 40 DDAB C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986750 OJVWXXOEBPCHRM-QDPIEQESSA-N 307.390 1.806 0 40 DDAB C[C@H](c1ccn(S(=O)(=O)c2ccccc2)n1)n1cncn1 1393490 IGEMDPJCIKVTIE-LLVKDONJSA-N 303.347 1.321 0 40 DDAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)NC(N)=O 12540299 AOBXITMEAXCSTJ-ZETCQYMHSA-N 308.338 1.891 0 40 DDAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCOCC1 9085223 ACRBSPVHTUYQRI-LLVKDONJSA-N 303.314 1.419 0 40 DDAB CN1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 43578599 GAXWPRUSCYXXLH-UHFFFAOYSA-N 301.159 1.976 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC(OCC(C)C)CC2)C1 55910628 FASPEFQDXAHGMO-OAHLLOKOSA-N 310.438 1.909 0 40 DDAB CCN(CC)C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20453309 SWBDZAGZIWKGBH-CYBMUJFWSA-N 312.391 1.082 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccnn1C 56867655 PXHRXFHQPJRUED-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB CCN1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 22236460 INZFWOMVJGPXQU-UHFFFAOYSA-N 317.364 1.455 0 40 DDAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c1 100224050 WDXKXEGGFYAZRU-IATRGZMQSA-N 301.298 1.066 0 40 DDAB CN(CCNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)Cc1ccccc1 108105507 GQKNYHZQSFWYRT-OWCLPIDISA-N 303.406 1.738 0 40 DDAB CNc1ncc(-c2nnnn2-c2ccccc2)c(CN(C)C)n1 1856952 PAJWTLWGKRXQNX-UHFFFAOYSA-N 310.365 1.223 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100356774 JZKAEUGBDSBGSH-XUXIUFHCSA-N 303.314 1.678 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2CC1 44891568 ZPFMHMUMYBQARR-AWEZNQCLSA-N 306.387 1.253 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCCCNC2=O)on1 44968110 KATDPDYENQAFED-RYUDHWBXSA-N 306.366 1.498 0 40 DDAB CNC(=O)c1ccc(N2CCN(Cc3ccco3)CC2)nc1 44907172 BEWMMCGGUOJKGY-UHFFFAOYSA-N 300.362 1.356 0 40 DDAB CCc1n[nH]c(SCc2cc(=O)n3cccc(C)c3n2)n1 22473847 KQOAVGMXTZSWKE-UHFFFAOYSA-N 301.375 1.976 0 40 DDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)NCC4CC4)o3)c12 57279681 HINQGEWEFCVLHF-UHFFFAOYSA-N 313.361 1.859 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCO[C@H]2CCCC[C@@H]21 46490478 JPVWCKUNZJGQGY-KBPBESRZSA-N 313.357 1.478 0 40 DDAB COC(=O)[C@H](NCc1nc2ccccc2c(=O)n1C)C(C)C 119237057 WLEWKDHMBWTCMO-CQSZACIVSA-N 303.362 1.221 0 40 DDAB Cc1c(C(=O)N2CCNCC2)cnn1-c1ccccc1Cl 82660920 YDNJIQXKTBQDMF-UHFFFAOYSA-N 304.781 1.880 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccccc2CC)nn1 5026070 UEOCSSZXXXIPIO-UHFFFAOYSA-N 302.334 1.656 0 40 DDAB O=C(NCC1(O)CCOCC1)c1cc(-c2ccccc2)on1 75158051 KQUCEKJMSZCXOE-UHFFFAOYSA-N 302.330 1.613 0 40 DDAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)N1CCCC1 6138669 OJZCQUFZTHRWEA-NSHDSACASA-N 317.418 1.980 0 40 DDAB CN1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 65462657 UDJUOVCPBZUVPF-AWEZNQCLSA-N 311.385 1.866 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@H]1CCOC1 65472903 FRKOHGPAGPJTLC-RHSMWYFYSA-N 316.401 1.675 0 40 DDAB CN(CC(=O)N[C@@H](C(N)=O)c1ccccc1)Cc1ccccc1 65542890 ZIOOCMSFCVDZNR-QGZVFWFLSA-N 311.385 1.461 0 40 DDAB CC(C)c1ccc(CNC(=O)C(=O)NCCCN(C)C)cc1 408707586 OVLUIQGATAZFFH-UHFFFAOYSA-N 305.422 1.494 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC[C@H](C(F)(F)F)C2)n1 14135338 FBOQEINEQINGOS-QMMMGPOBSA-N 304.320 1.294 0 40 DDAB COC[C@H](C)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 6653734 REQNROBFHYZIEH-LBPRGKRZSA-N 317.393 1.615 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1=O 71797035 DNEVIFUMKWMAPD-CQSZACIVSA-N 315.377 1.364 0 40 DDAB C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc2C1 4885580 SOEKLKQFNBQEDJ-YUMQZZPRSA-N 310.375 1.613 0 40 DDAB Cn1cc(C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)cn1 96010480 YMYKVBWNHPSXDV-UHFFFAOYSA-N 319.796 1.427 0 40 DDAB O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1cccnc1 9573759 BZFVYKQOCLLVAH-UHFFFAOYSA-N 316.386 1.746 0 40 DDAB CO[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O 69520390 ZYPAIXVIPSMZNU-SMDDNHRTSA-N 305.378 1.110 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccnc(OC3CCCCC3)c2)N1 69617754 WSZGGVPKISDGEW-CQSZACIVSA-N 317.389 1.688 0 40 DDAB C[C@@H](C(=O)N1CCCC1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 69630131 FOVMVJDTQGCZKI-LBPRGKRZSA-N 317.437 1.872 0 40 DDAB NC(=O)[C@H](CNC(=O)[C@@H]1CC=CCC1)Cc1ccc(F)cc1 71826721 HTPLRFPPXUQNBV-KGLIPLIRSA-N 304.365 1.942 0 40 DDAB CCc1n[nH]c([C@@H]2CN(CCn3nc(C)cc3C)CCO2)n1 83830156 NHPGUKPMYQVRRR-ZDUSSCGKSA-N 304.398 1.254 0 40 DDAB O=C1[C@@H](N2CCS(=O)CC2)CCCN1c1cccc(F)c1 71909008 QGBLHOUGMGNTMQ-AWEZNQCLSA-N 310.394 1.385 0 40 DDAB Cc1nc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)oc1C 84061406 CDFYVNLZHRCHQJ-AWEZNQCLSA-N 317.393 1.419 0 40 DDAB Cc1nn(CCO)c(C)c1CNCC1([C@@H](C)CCO)CCC1 95463557 XHLGKBOUBCUDJK-ZDUSSCGKSA-N 309.454 1.771 0 40 DDAB Cc1nc(CNc2ncnc3c2cnn3-c2ncccn2)oc1C 95434857 LYIATCGKDBVVSM-UHFFFAOYSA-N 322.332 1.822 0 40 DDAB O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCS(=O)CC1 97032057 JTVTVLWVTWWDDW-NSHDSACASA-N 322.213 1.618 0 40 DDAB CN(CCN1CCOCC1)C(=O)N[C@@H]1CCc2ccccc2C1 72274298 NKOJCAMKOJHMGC-QGZVFWFLSA-N 317.433 1.518 0 40 DDAB O=c1[nH]c(CCN2CCc3cncnc3C2)nc2ccccc12 72268105 NYMYOIARBPBWRX-UHFFFAOYSA-N 307.357 1.314 0 40 DDAB CCn1nc(C)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1C 72235086 HPVLCVZRFBDRCQ-ZDUSSCGKSA-N 302.382 1.589 0 40 DDAB CC(C)c1cnc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 72300728 WVSQKSIBEWNEAX-MEDUHNTESA-N 320.393 1.608 0 40 DDAB CCNc1ncc(C(=O)N2CCN([C@H](CC)CO)CC2)s1 95979688 PUAJBBPLHSDCBQ-LLVKDONJSA-N 312.439 1.104 0 40 DDAB CN(C)c1cccc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 89326691 FZSYNVKZYJWCOZ-HOTGVXAUSA-N 304.390 1.773 0 40 DDAB COc1ccc(CCNC(=O)[C@H]2CSCN2)c(Cl)c1 75015764 UUYFHGNNLYTQIT-GFCCVEGCSA-N 300.811 1.670 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CCC2 89529325 DCWMEWPAEQDINI-UHFFFAOYSA-N 301.346 1.741 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H]1Cn1cccn1 75133022 FSAUEMHEPXNSDB-RBSFLKMASA-N 306.410 1.031 0 40 DDAB Cn1nccc1[C@@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1 89741111 XNFKZQDEMPWXPZ-CJNGLKHVSA-N 316.380 1.965 0 40 DDAB CCC(=O)N1CCN(C(=O)[C@H]2CSc3ccccc32)CC1 89941718 AKNIMGNVFLVJIH-ZDUSSCGKSA-N 304.415 1.957 0 40 DDAB C[C@]1([C@@H]2CCCN(Cc3cccc(F)c3F)C2)NC(=O)NC1=O 76059117 QHJWGFASMXDISY-BDJLRTHQSA-N 323.343 1.775 0 40 DDAB C[C@@H](NC(=O)Nc1cn(C)nn1)[C@H]1OCCc2sccc21 521394738 GNTHUQGISQVEKX-PRHODGIISA-N 307.379 1.701 0 40 DDAB COCC(=O)N1CC[C@@]2(c3ccccc3)CCN(C)C(=O)C[C@@H]12 306132178 LAXGJGKJYYFJQG-CRAIPNDOSA-N 316.401 1.424 0 40 DDAB C[C@@H](CC(=O)N[C@H]1CN(C)NC1=O)c1c[nH]c2ccccc12 519516944 AFHIAAKSAXEBGB-HZMBPMFUSA-N 300.362 1.123 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218521198 ZUJZVZIEQXDYDF-IHRRRGAJSA-N 301.383 1.318 0 40 DDAB C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79391337 DIGWOMVPCPXZDF-WCQYABFASA-N 311.426 1.724 0 40 DDAB COC[C@H]1CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 72343702 WHWOBLLWALHJLP-HNNXBMFYSA-N 308.397 1.795 0 40 DDAB O=c1c2cccnc2nc(S)n1CCCN1CCCCC1 34738351 NKOCXSRNEFISIT-UHFFFAOYSA-N 304.419 1.956 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 72238123 ZBTHMYZFGJXUPP-FZMZJTMJSA-N 308.403 1.516 0 40 DDAB CCCCNC(=O)NCCNS(=O)(=O)Cc1ccccc1 40119078 XHXHSFRYXLOVHZ-UHFFFAOYSA-N 313.423 1.205 0 40 DDAB CC(C)c1ncc(Cl)c(C(=O)N2CCC(O)(CN)CC2)n1 571164265 AYNVXBXFOVJXDD-UHFFFAOYSA-N 312.801 1.179 0 40 DDAB CCN1CCN([C@@H](C)CNC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 195576929 OAGIPANDPOOSSY-XHSDSOJGSA-N 310.486 1.985 0 40 DDAB O=C(NC[C@H](O)C1CCOCC1)[C@H]1C[C@]12CCc1ccccc12 96436987 ZAXNLPDQHFTIDI-AOIWGVFYSA-N 315.413 1.794 0 40 DDAB O=C(NCCc1ccccn1)[C@@H](c1ccccc1)n1cnnn1 95472567 LBDIQKHDRJWBMX-OAHLLOKOSA-N 308.345 1.016 0 40 DDAB O=C(O)Cn1cc(I)c(C(F)(F)F)n1 238851122 FFNKMVMYMQYFMI-UHFFFAOYSA-N 320.008 1.591 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053762 OCYZIEMGYVPKPD-HZPDHXFCSA-N 308.385 1.681 0 40 DDAB CC1(C)[C@H](NC(=O)NCCN(CC2CC2)C2CC2)[C@@H]2CCO[C@H]21 230153353 HAWKUIGVCIJIHB-ARFHVFGLSA-N 321.465 1.974 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181916 VHYGEAPVQHOJJW-ZBFHGGJFSA-N 322.380 1.888 0 40 DDAB COCC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C)n1 96056649 REBHRDCWWIDWEB-HUUCEWRRSA-N 317.389 1.128 0 40 DDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccnc(N(C)C)c1 96425500 GPFGYZLSLCRHGE-LLVKDONJSA-N 315.421 1.859 0 40 DDAB CCS(=O)(=O)C[C@]1(c2cccc(Cl)c2)OC[C@H](CO)O1 96531783 MJXOJPHTXAILHP-STQMWFEESA-N 320.794 1.335 0 40 DDAB C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn[nH]n2)CC1 96426834 ZTMPXQLZVYVQHN-NSHDSACASA-N 319.796 1.977 0 40 DDAB CC(C)(C)OC(=O)N1CC(=O)N(C(=O)OC(C)(C)C)CC1=O 95951361 QJAAEKPQDIULET-UHFFFAOYSA-N 314.338 1.527 0 40 DDAB CCSCCn1ccnc1-c1cn(C2CCNCC2)nn1 91320300 FZHXWNZBWVKYES-UHFFFAOYSA-N 306.439 1.819 0 40 DDAB Cc1ccc(CN(CCO)C(=O)NCc2nc(C)no2)cc1 96501667 MZEHISNXUSJRRS-UHFFFAOYSA-N 304.350 1.391 0 40 DDAB Cc1cc2cnc(C)n2c([C@H]2CCCCN2S(C)(=O)=O)n1 257245013 INTSIVCSJRNGHW-CYBMUJFWSA-N 308.407 1.833 0 40 DDAB CCOc1ccc([C@@H](COC)NC(=O)c2cnccn2)cc1 252507928 WXLWUCLXXAZAPC-OAHLLOKOSA-N 301.346 1.993 0 40 DDAB O[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@]12CCCO2 257199699 AANTUEKEXNPRRN-IRXDYDNUSA-N 305.374 1.574 0 40 DDAB CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1 257319379 VSDRSSRTZUDEDB-GFCCVEGCSA-N 321.406 1.415 0 40 DDAB COCCN1CC[C@@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 257342396 ZOJSEUWHRXBXMN-AWEZNQCLSA-N 315.421 1.994 0 40 DDAB Cc1ncc(CNC(=O)c2coc(C)n2)c([C@H]2CCCN2C)n1 257344082 ZVSIUOSFXKLCOS-CQSZACIVSA-N 315.377 1.778 0 40 DDAB CN(C)c1ncc(C(=O)N2CCNC[C@H]2c2ccccc2)cn1 257265476 LYUPYJHQRCLWMP-HNNXBMFYSA-N 311.389 1.329 0 40 DDAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(C)n1 52567553 KERRVQALMSOGKV-GFCCVEGCSA-N 303.387 1.991 0 40 DDAB CCc1cc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)nc(C)n1 272854111 KSLFMKNOTDBHLZ-ZDUSSCGKSA-N 314.393 1.607 0 40 DDAB CCc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 24777440 BYOPKEYFDZWLAP-UHFFFAOYSA-N 310.419 1.357 0 40 DDAB Cc1cncn(CCNC(=O)NCCc2ccccc2)c1=O 96119195 OBJUFEJZSGVLBR-UHFFFAOYSA-N 300.362 1.094 0 40 DDAB CCCc1n[nH]c(=NC(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)s1 647690530 QMCXIFSDBQWOIY-BDAKNGLRSA-N 312.395 1.487 0 40 DDAB Cc1nc[nH]c1CN1CC[C@](O)(COc2ccc(F)cc2)C1 585274270 IAPBBLQLZBQCCB-MRXNPFEDSA-N 305.353 1.873 0 40 DDAB O=C(c1ccncc1)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549161974 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CCc1ccc(C(=O)N2CC[C@H]3CN(CC)CCO[C@H]3C2)cn1 1565552972 FIQLPBXEMXHXHT-RDJZCZTQSA-N 317.433 1.827 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCCn1ccnc1 5251489 VLBAWXCSGMGPHE-UHFFFAOYSA-N 320.780 1.990 0 40 DDAB O=C(CSCc1ccccc1)NCCOCCn1cccn1 585150463 RGSGGIZZXGACPJ-UHFFFAOYSA-N 319.430 1.949 0 40 DDAB O=c1cc2c(nn1CC1CCN([C@H]3CC[C@@H]3O)CC1)CCCC2 585500663 NSIJVNIPDUHZMF-IRXDYDNUSA-N 317.433 1.357 0 40 DDAB O=C(c1cccc2c1OCCO2)N1CC(Nc2ncccn2)C1 238942318 WCBHJMRRDPPFSB-UHFFFAOYSA-N 312.329 1.184 0 40 DDAB O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccncc1 75172213 BILZPMJXYDOLPD-UHFFFAOYSA-N 308.345 1.504 0 40 DDAB O=C(O)CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 3195865 VOYPZWCTJMAJRB-QPJJXVBHSA-N 302.374 1.709 0 40 DDAB CCC(=O)c1ccc(OCC(=O)NCc2nncn2C)cc1 40497634 CYQUOIFKZGMETB-UHFFFAOYSA-N 302.334 1.103 0 40 DDAB C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)[C@@H]1CCCO1 40511032 VKDROBXTBPBHLW-AAEUAGOBSA-N 316.361 1.748 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)N1CCCCC1 40528412 XTPBNECQCQYZBG-GFCCVEGCSA-N 314.407 1.607 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 40596737 HLWCYPMLQQNSNZ-JTQLQIEISA-N 304.362 1.585 0 40 DDAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@H]3C(N)=O)c2c1 20762865 FVMFBAMSHUAQOC-KBPBESRZSA-N 301.346 1.552 0 40 DDAB biogenic COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1O 101708965 IGZBGHMQDBGLJN-SECBINFHSA-N 303.314 1.594 0 40 DDAB CC[C@@H](CO)NS(=O)(=O)c1cc(C(C)C)ccc1OC 41096287 UUYBORDKBZKCQH-LBPRGKRZSA-N 301.408 1.868 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC(O)CC1 33015068 DKGSMDAYXUWNOF-OAHLLOKOSA-N 323.389 1.094 0 40 DDAB CCN1CCN(CCCNC(=O)c2ccc(C)c(OC)c2)CC1 41442640 JTVRYRQBOAKDNC-UHFFFAOYSA-N 319.449 1.761 0 40 DDAB CC(C)C(=O)N1CCN(c2ncc(Br)cn2)CC1 71847994 JVQKVRNMYJOIKG-UHFFFAOYSA-N 313.199 1.544 0 40 DDAB COc1ccccc1/C=C/C(=O)NC[C@](C)(O)c1cnn(C)c1 78963948 YJOOMCCXSUSCGM-IJDCCNJMSA-N 315.373 1.466 0 40 DDAB CCn1nc(C)c(CNC(=O)N2CCC[C@H](CC(N)=O)C2)c1C 78973534 MKRRZKSBDPBIFT-CYBMUJFWSA-N 321.425 1.317 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCN2CCCC[C@H]12 79145063 WNCGIBHDUBAHFY-GVDBMIGSSA-N 317.433 1.516 0 40 DDAB CCOC(=O)CCC(=O)NCc1ccc(NC(=O)OC)cc1 53595446 YGNJHCXLGIIKLS-UHFFFAOYSA-N 308.334 1.824 0 40 DDAB Cc1csc(=O)n1CCN1C(=O)N[C@](C)(c2ccco2)C1=O 47354379 VTWIGSGZRGFCAK-CQSZACIVSA-N 321.358 1.278 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c1 71878645 FXKNNMZHSLMOKG-CQSZACIVSA-N 316.409 1.635 0 40 DDAB CCNS(=O)(=O)c1ccc(CCC(=O)N(CC)CC)cc1 107622453 MJRWVEWGINGQBP-UHFFFAOYSA-N 312.435 1.786 0 40 DDAB O=C(O)COc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 8906978 MFUJSYWVIKUWKE-STQMWFEESA-N 321.329 1.980 0 40 DDAB Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc(C)n3)CCO2)c1 97378658 LPIVXJVTTWHPBE-CQSZACIVSA-N 315.377 1.828 0 40 DDAB C[C@@]12CC[C@H](C[C@@H]1C(=O)O)[C@]1(C2)NC(=O)c2cccnc2N1 100208523 MOLUQBOUIQINHD-POBSAJCXSA-N 301.346 1.844 0 40 DDAB Cc1[nH]ncc1CCCN1C(=O)c2ccccc2S1(=O)=O 47880004 TUAURZMVMCVNIL-UHFFFAOYSA-N 305.359 1.495 0 40 DDAB Cc1cc(N2CCC(NC(=O)C3[C@H]4CCC[C@H]34)CC2)ncn1 104243360 WXGDFOXWSDGSJI-KBPBESRZSA-N 300.406 1.916 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 57289943 DXHLBAZPKHITCB-LLVKDONJSA-N 324.812 1.306 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CN1 48094416 JGKOQAYBKPKZKI-KBPBESRZSA-N 319.405 1.449 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N[C@H](CC(=O)O)c1cccc(F)c1 106810386 YVTSUSGPMYUCMK-RAIGVLPGSA-N 323.320 1.815 0 40 DDAB COC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355169 NHYYBJHFSGKUFZ-XHDPSFHLSA-N 322.336 1.024 0 40 DDAB CCNC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 54029661 RZPLQPNKTCSBPW-UHFFFAOYSA-N 319.361 1.795 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)CCNc2ncccn2)cc1 58180451 BSZOMDMSJOIZPO-AWEZNQCLSA-N 300.362 1.437 0 40 DDAB COCC(=O)NCCCn1nc(C)c(Br)c1C 27928099 UULORUMUYKFPCQ-UHFFFAOYSA-N 304.188 1.415 0 40 DDAB CCOc1ccccc1-c1noc(CN(CC(N)=O)C(C)C)n1 10203555 LIAZIQSOEJGADJ-UHFFFAOYSA-N 318.377 1.831 0 40 DDAB Cc1cc2c(cc1CN1C[C@@H]3CCCN3C[C@@H]1CCO)OCO2 22835243 ILSYQXPGAZCPII-HOTGVXAUSA-N 318.417 1.755 0 40 DDAB CC[C@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)CCO1 44972008 RLEKQBKWUCOPCG-LBPRGKRZSA-N 322.361 1.615 0 40 DDAB COc1ccc(NC(=O)NCc2nnc3n2CCCCC3)cn1 44950874 XOIZLCWHFFSHLW-UHFFFAOYSA-N 316.365 1.730 0 40 DDAB COCCN([C@@H]1CCSC1)S(=O)(=O)N1CCCC[C@@H]1C 58345362 QWASRODAFNNWNR-QWHCGFSZSA-N 322.496 1.560 0 40 DDAB Cc1nc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cn1C 58357020 YQNSSQXYEVZXJO-UHFFFAOYSA-N 309.435 1.976 0 40 DDAB CN1C(=O)c2ccc(C(=O)NCCc3ccccc3)cc2C1=O 36638465 NVTBSKYNDMZQNJ-UHFFFAOYSA-N 308.337 1.885 0 40 DDAB COc1ccc([C@H]2CCCN2CCC(=O)NC(N)=O)c(OC)c1 11455141 BCAICKYMQLPVFJ-CYBMUJFWSA-N 321.377 1.426 0 40 DDAB O=C(COC(=O)Cc1ccccc1F)NC(=O)NC1CCCC1 3425261 WWOOTFPPJZWTIZ-UHFFFAOYSA-N 322.336 1.680 0 40 DDAB CCNC(=O)CCS(=O)(=O)c1cc(OC)c(OC)cc1C 69885396 OYGQVGDZVUTEJC-UHFFFAOYSA-N 315.391 1.312 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1cccs1 48939040 NVLBREARNJQXSZ-NSHDSACASA-N 316.448 1.221 0 40 DDAB C[C@@H](C(=O)NCCCn1ccnc1)n1ccc(C(F)(F)F)n1 27974000 XGOCEKGJUHAOBF-JTQLQIEISA-N 315.299 1.866 0 40 DDAB CSc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1)C(=O)N2 13689986 NXRZMHRBBWQFSS-VIFPVBQESA-N 303.347 1.522 0 40 DDAB CC(C)(C)OC(=O)NC1CN([C@@H](C(=O)O)c2cccnc2)C1 66354383 FZFRLJYWTHBXGV-GFCCVEGCSA-N 307.350 1.416 0 40 DDAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1C 4314479 PPHREQRISVBQHW-UHFFFAOYSA-N 317.393 1.349 0 40 DDAB COCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 65439995 SHJKGZDKZYKOPC-UHFFFAOYSA-N 314.769 1.947 0 40 DDAB CC[S@](=O)c1ccccc1C(=O)NCCCn1cccn1 65428527 VUISJAUZGOWYPH-OAQYLSRUSA-N 305.403 1.831 0 40 DDAB COC[C@H](O)CN(C)C(=O)N[C@@H]1CCSc2ccccc21 65440659 SABZFFWRBWZTCH-DGCLKSJQSA-N 310.419 1.872 0 40 DDAB O=C(NCCCNC(=O)c1cccc(O)c1)Nc1nccs1 65488001 FRHZRMRLOQYKBU-UHFFFAOYSA-N 320.374 1.790 0 40 DDAB COc1cccc(/C=C2/SC(=O)NC2=O)c1O[C@H](C)C(=O)O 4743037 LYYBMSNYYPCRJF-VSUWBIFXSA-N 323.326 1.871 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccccc1C 9189986 CGCGWJOKHIXCBN-LLVKDONJSA-N 302.330 1.517 0 40 DDAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)c1 4921811 FKCVXJCHPIFZIF-MRVPVSSYSA-N 304.379 1.464 0 40 DDAB C[C@@H](NC[C@H]1CCCN(c2ncccn2)C1)c1cnn(C)c1 90973052 QQVSPBWGVITJEP-ZIAGYGMSSA-N 300.410 1.777 0 40 DDAB Cc1ccn2ncc(C(=O)NC[C@@H]3CCCN(C(C)C)C3)c2n1 68764295 WBTPERRSPLKSHX-AWEZNQCLSA-N 315.421 1.888 0 40 DDAB O=C(CN1CCC(OC[C@@H]2CCCO2)CC1)NCC(F)(F)F 83414805 QMKYQHIXDYIUEN-LBPRGKRZSA-N 324.343 1.325 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 70004059 BVTIHHDOYNZKEY-INIZCTEOSA-N 318.417 1.079 0 40 DDAB CCc1cc2c(SCC(=O)N3CCNC3=O)ncnc2s1 8394807 BTDKWUNXFYHTAI-UHFFFAOYSA-N 322.415 1.898 0 40 DDAB Cc1cc(C(=O)Nc2ccn(CCc3ccccn3)n2)n(C)n1 69488151 ZVQULDQPVLAGTR-UHFFFAOYSA-N 310.361 1.815 0 40 DDAB Cc1cc(C(=O)N2CCN(CCC(=O)OC(C)C)CC2)c(C)o1 71924081 SHNLRBUQAWQPQX-UHFFFAOYSA-N 322.405 1.996 0 40 DDAB Cc1nc([C@H](NC(=O)Cn2cccn2)c2ccccc2F)no1 71908006 JZOWRDARNOXLST-CQSZACIVSA-N 315.308 1.619 0 40 DDAB Cc1noc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)n1 97086513 AVKROUKPIQHXSC-ZDUSSCGKSA-N 306.753 1.705 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269067 KBWWEZOFSPPOTF-DLBZAZTESA-N 313.401 1.839 0 40 DDAB COC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccco1 97110619 NNOHZIZNMBEEKF-CHWSQXEVSA-N 304.350 1.096 0 40 DDAB CC(C)[C@@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 72300665 GJENMPWVNGUECJ-CXAGYDPISA-N 315.373 1.237 0 40 DDAB Cc1cc(CCC(=O)NCCCS(N)(=O)=O)c(C)s1 97227971 LQENWYCURREVJH-UHFFFAOYSA-N 304.437 1.092 0 40 DDAB CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cnn(C)c2)c(C)c1 95962257 AKWYLMJRKABMDG-LLVKDONJSA-N 315.377 1.971 0 40 DDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CCC[C@@H]1O 95979190 ASTPZEJINGUMKM-NEPJUHHUSA-N 319.327 1.634 0 40 DDAB Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1=O 95949436 WSKIABVVHFCTSD-MRXNPFEDSA-N 311.385 1.390 0 40 DDAB COCCc1nsc(N2CCN(C(=O)C3CCCC3)CC2)n1 89420265 QUJXJTSWTQBOQZ-UHFFFAOYSA-N 324.450 1.566 0 40 DDAB CC(C)N1CC[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 75125918 CDDMAAIRJZHCHL-GFCCVEGCSA-N 315.373 1.847 0 40 DDAB Cc1cc(NC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)[nH]n1 75121664 XWQHSZVDFHFFGR-UHFFFAOYSA-N 324.344 1.353 0 40 DDAB Cn1ccnc1CNC(=O)N1CCN(c2cccs2)CC1 89761446 WBWMFJJYFOJRFG-UHFFFAOYSA-N 305.407 1.513 0 40 DDAB O=C(O)CN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CC1 89769755 CFCGYXKVFZDOIN-UHFFFAOYSA-N 321.308 1.045 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccn1Cc1ccccc1 75572277 ZDPPGFJQAGVGGZ-AWEZNQCLSA-N 318.398 1.453 0 40 DDAB CCCCc1nc(CN2CCC(N3CCN(C)C3=O)CC2)no1 75604263 WNLKYLZRRYASIJ-UHFFFAOYSA-N 321.425 1.744 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)c3c(C)noc3C)CCO2)n1 76045296 ZESBXGPHVFLKRD-PRHODGIISA-N 319.365 1.422 0 40 DDAB CN(CCCNc1ccc(S(N)(=O)=O)cn1)c1ccccc1 22309567 HMOWOMXNFMKELN-UHFFFAOYSA-N 320.418 1.667 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1F 1548448158 OHFQVVHBTREXQE-VHSXEESVSA-N 306.259 1.561 0 40 DDAB CC(C)NC(=O)c1nsc(C(=O)NCc2ccncc2)c1N 62006827 ZSQMUNRUNSBBFS-UHFFFAOYSA-N 319.390 1.189 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C)on2)C1 548664399 IRDFXGIXTUEAHL-OAHLLOKOSA-N 320.418 1.985 0 40 DDAB CC(C)c1nnc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)s1 528522992 XHQVWCLKWGZCFW-MNOVXSKESA-N 315.464 1.813 0 40 DDAB C[C@@H]1CN(CC(=O)N(CCC(N)=O)c2ccccc2)C[C@@H](C)O1 32757845 PZIGVHVDKHYJKY-ZIAGYGMSSA-N 319.405 1.004 0 40 DDAB COCc1nc(C(=O)N2CC[C@H](c3nccn3C)C2)cs1 534442483 OCBQQUWNFCMRBO-JTQLQIEISA-N 306.391 1.653 0 40 DDAB COC(=O)CNC(=O)c1ccc(COc2ccc(OC)cc2)o1 32648169 LYYGSQSIJBPPOS-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c1 77939914 ULPJKKHIYJLPED-HIFRSBDPSA-N 304.390 1.909 0 40 DDAB COc1cc(Br)c([C@@H](N)CC(=O)O)cc1OC 37754939 GJMNURGKPRAHMD-QMMMGPOBSA-N 304.140 1.941 0 40 DDAB CO[C@@](C)(C(=O)N[C@H](C)c1nccc(N)n1)c1ccccc1F 564830190 IUUKMRIGGQHYNN-QLJPJBMISA-N 318.352 1.937 0 40 DDAB COc1cc(C)n(CCNC(=O)Cc2cccc(C)c2)c(=O)c1 238954873 XSXZCBZDRROXRR-UHFFFAOYSA-N 314.385 1.833 0 40 DDAB COc1c(CNC(=O)c2cc(N(C)C)ccn2)c(C)nn1C 130101782 XZPUQGVOKPCMKV-UHFFFAOYSA-N 303.366 1.128 0 40 DDAB Cn1nc(C(=O)NC2CCCC2)cc1NC(=O)c1ccco1 40745716 AXNBHRGKUDUSTF-UHFFFAOYSA-N 302.334 1.938 0 40 DDAB C[C@@H](C(=O)N(C)CCN1CCCC1=O)[C@@H](N)c1ccccc1 225472661 QFFYZXBAZOMKAF-CZUORRHYSA-N 303.406 1.403 0 40 DDAB CC[C@H](C)OCC(=O)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 530518104 KQPGURLBYOQSRW-FPMFFAJLSA-N 310.398 1.185 0 40 DDAB CN1CCN(C(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)CC1 41550139 LXEJIQWNOJWDNU-OAHLLOKOSA-N 323.780 1.204 0 40 DDAB Cc1cc(CN(C)C(=O)C[C@H](NC(N)=O)c2ccccc2)no1 25138103 JQWHXLPOZDXEOV-AWEZNQCLSA-N 316.361 1.741 0 40 DDAB CN(Cc1cccn1C)C(=O)NCc1ncnn1C(C)(C)C 332283800 FYDJDXIFVMHKTD-UHFFFAOYSA-N 304.398 1.713 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N(C)C[C@@H](C)c1nnn[nH]1 97377614 YEUMEKMIQIJRCC-SECBINFHSA-N 313.358 1.071 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082022 CXGJGMYNCSHPRZ-CABCVRRESA-N 324.384 1.530 0 40 DDAB COC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2ncn(C)c21 96044804 QMXZYDWSXZXGHK-LBPRGKRZSA-N 302.378 1.751 0 40 DDAB C[C@@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 97234162 XVWCMEORUHATRI-PSASIEDQSA-N 303.284 1.427 0 40 DDAB COCC(=O)N1CCn2c(COc3cccnc3)cnc2[C@@H]1C 96109843 NSSARIGGICJURZ-LBPRGKRZSA-N 316.361 1.407 0 40 DDAB CC(C)(C)OC(=O)N1CCN(Cc2nnc3n2CCCC3)CC1 98211207 KCFDPKWMEJSDAX-UHFFFAOYSA-N 321.425 1.667 0 40 DDAB C[C@@H](CCNC(=O)Cc1ccc(O)cc1Cl)[S@](C)=O 96486967 CBVNIPCGEZDRPL-ZRNGKTOUSA-N 303.811 1.861 0 40 DDAB Cc1cc([C@H](C)NC(=O)Cn2cc(C(=O)O)nn2)c(C)s1 90716195 PCGRVGSULZHOTQ-QMMMGPOBSA-N 308.363 1.532 0 40 DDAB CC(C)C1(C(C)C)NC(=O)N(CCN2C[C@@H]3CC[C@H](C2)O3)C1=O 333873552 CCXLUXOVLNFZCG-OKILXGFUSA-N 323.437 1.452 0 40 DDAB O=C(c1ccoc1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 96246133 HPYNXGJPIYYTLN-IMJJTQAJSA-N 304.390 1.853 0 40 DDAB O=C(N1CCCC1)N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96047766 FNNNXCHUZKZACM-CJNGLKHVSA-N 317.393 1.338 0 40 DDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 96161763 QGRDBTGMNLDADM-IYBDPMFKSA-N 310.401 1.624 0 40 DDAB CCS(=O)(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257268570 MMGOHFVJPKUPDO-KBPBESRZSA-N 317.382 1.380 0 40 DDAB CCc1ccc(-n2nc(C(=O)O)c(N3CCOCC3)n2)cc1 256047242 LIZKHODFWFLIPO-UHFFFAOYSA-N 302.334 1.365 0 40 DDAB Cc1nccn1CC(=O)N1CCCC[C@H]1c1ccn2ccnc2n1 257282572 OUIKZISBKAZMRX-HNNXBMFYSA-N 324.388 1.988 0 40 DDAB COc1ccc(C2(C(=O)N3CC[C@](O)(CN(C)C)C3)CC2)cc1 257291711 QIHLMRNNWASHHG-KRWDZBQOSA-N 318.417 1.252 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)ccn1 257234674 GUPJOESRXKZQPP-INIZCTEOSA-N 314.389 1.873 0 40 DDAB CCc1nccn1CCC(=O)N1CCOC[C@H]1c1ccn[nH]1 257310197 UECAAXAFCWTUCR-ZDUSSCGKSA-N 303.366 1.159 0 40 DDAB Cc1nc(C[C@@H]2CCCN(c3cnccn3)C2)cc(C(N)=O)n1 257230920 GEMUBFPMSJFVJJ-LBPRGKRZSA-N 312.377 1.133 0 40 DDAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2cccnc2)cc1 96103185 VBOOEPHNRBXGLM-AWEZNQCLSA-N 324.427 1.815 0 40 DDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 585108670 UPNHHVGHNXIGPH-DRZSPHRISA-N 310.369 1.163 0 40 DDAB OC[C@@]1(Cc2cccc(F)c2)CN(c2cnccn2)CCO1 585276495 PCAQVRGXRWRPMY-MRXNPFEDSA-N 303.337 1.426 0 40 DDAB Cn1ccc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)n1 585269107 KCYOCPXZOLGKCS-INIZCTEOSA-N 305.353 1.575 0 40 DDAB O=C(NC[C@H]1CN(CC2CCC2)Cc2ccnn21)N1CCCC1 585112318 OLOHRUVDZMXWNI-INIZCTEOSA-N 317.437 1.845 0 40 DDAB Cc1cc(C)c2nc(N3CC[C@@]4(C3)NC(=O)NC4=O)sc2c1 881997896 VWTWIGZMARAQFI-HNNXBMFYSA-N 316.386 1.701 0 40 DDAB Cc1cccnc1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 47103434 DDRBHRWTPFLSMI-ZDUSSCGKSA-N 312.377 1.971 0 40 DDAB Cc1ccc(F)cc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 48331524 ADLJYUQLRWQEBO-JTQLQIEISA-N 300.355 1.690 0 40 DDAB Cn1ncc2c(N3CCN(CCC(C)(C)C)CC3)ncnc21 54838779 CJKCEKNPQWUXGJ-UHFFFAOYSA-N 302.426 1.922 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)N3CCSCC3)cn2)C[C@@H](C)O1 53818815 LSSGOQSQNOZPGR-BETUJISGSA-N 321.446 1.884 0 40 DDAB CSC[C@@](C)(O)CNC(=O)C1(c2ccccc2)CCOCC1 75157268 QLZYFAJSVUHNKO-INIZCTEOSA-N 323.458 1.965 0 40 DDAB CN(C)[C@@H](CNC(=O)C1(C(=O)NC2CC2)CCC1)c1ccco1 83847602 AOQNYFCVSIJPQU-ZDUSSCGKSA-N 319.405 1.447 0 40 DDAB C[C@H](O)CC(C)(C)CNC(=O)[C@@H](C)NC(=O)C1CCCCC1 87422577 VTKSUYCSMYSFPA-QWHCGFSZSA-N 312.454 1.985 0 40 DDAB CC(C)S(=O)(=O)N1CCN(C[C@H](O)c2cccs2)CC1 85467275 MQLRRYFIGTUOAI-LBPRGKRZSA-N 318.464 1.137 0 40 DDAB O=C(O)CCCNC(=O)c1cccn(Cc2ccccc2)c1=O 95969604 ZDHRFKCEKVPLRS-UHFFFAOYSA-N 314.341 1.491 0 40 DDAB Cc1nccc(N2CCN(C(=O)N[C@H](C)c3ccco3)CC2)n1 97136592 KBFWDLTYIJWNIO-GFCCVEGCSA-N 315.377 1.971 0 40 DDAB CC(C)CO[C@H](C)C(=O)NCc1ccc(-n2cncn2)nc1 40534745 UMZCJLDTHHLYJC-GFCCVEGCSA-N 303.366 1.340 0 40 DDAB CC(=O)N1CCN2C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]2C1 5415731 WEMZZXZMQPHHSP-FZMZJTMJSA-N 301.346 1.243 0 40 DDAB biogenic,in-vitro O=C1NC(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 5881818 PNDJKAWWSOZNDK-UHFFFAOYSA-N 320.301 1.510 0 40 DDAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCCC2)c1=O 12146715 RHLFKHNIJGMWIM-UHFFFAOYSA-N 304.375 1.176 0 40 DDAB Cc1csc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)n1 12236308 NTHRYDDUGGJEAQ-MRVPVSSYSA-N 308.388 1.684 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1 12998696 ARKXJPBBKHARAS-SNVBAGLBSA-N 314.382 1.551 0 40 DDAB Cn1cccc(C(=O)NC[C@@H]2CCCN2c2nccs2)c1=O 206777214 QTYKJVCQMTYUTQ-NSHDSACASA-N 318.402 1.241 0 40 DDAB O=[N+]([O-])C(=C1NCCN1)/C(Cl)=C(\Cl)Br 1497024 SGLNZQAVYTWLGA-HWKANZROSA-N 302.943 1.667 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)c1ccc[nH]1 10401446 SZSXNBNVACNNKI-UHFFFAOYSA-N 321.354 1.766 0 40 DDAB Brc1cnn(CC2CN(C[C@H]3CCOC3)C2)c1 1889065083 YXCSITNQYOKUBH-SNVBAGLBSA-N 300.200 1.614 0 40 DDAB O=S(=O)(CCc1ccccc1)N1CC(Nc2ncccn2)C1 238858509 KGIFRPMUNVGTSQ-UHFFFAOYSA-N 318.402 1.145 0 40 DDAB CC1CCN(S(=O)(=O)NCC2(C(=O)O)CCCC2)CC1 165347253 GGWCYJYSVFDCBB-UHFFFAOYSA-N 304.412 1.198 0 40 DDAB O=C(c1ccsc1)N1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H]2C1 1203091068 SLACDTCDINDLBJ-ZIAGYGMSSA-N 302.403 1.675 0 40 DDAB Cc1nnc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)s1 2087097723 RVXCOGNWBHZFOU-UHFFFAOYSA-N 321.387 1.833 0 40 DDAB CC(C)N(C)C[C@H]1CN(C(=O)c2cc[nH]n2)Cc2nccn2C1 2055772982 FUGRQXXIYZEYJT-CYBMUJFWSA-N 316.409 1.219 0 40 DDAB O=C1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)CN1CC1CC1 2055796007 JDTOUTSNIHENGG-CQSZACIVSA-N 306.406 1.274 0 40 DDAB CCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)NC)CC1 2055750872 HJRBVZZLAGTCLR-UHFFFAOYSA-N 319.405 1.624 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 100177727 MCRCTTSYWIYMIR-QDEZUTFSSA-N 317.316 1.281 0 40 DDAB Cc1cc(N2CC(Cn3nc(C)ccc3=O)C2)n2nc(C)cc2n1 585603075 HMTWACLONCJQGA-UHFFFAOYSA-N 324.388 1.348 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@@H]3CCCC[C@H]3O)C2)n1 585603675 FSNULKXHHFJVHJ-HUUCEWRRSA-N 319.449 1.776 0 40 DDAB Cn1ncc2c(N3CCC(NC(=O)C4CCC4)CC3)ncnc21 362908309 ZZDQKJLWRMIRSZ-UHFFFAOYSA-N 314.393 1.248 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)C3CCCC3)C2)n(C)n1 2332241650 SBTVYHVRMBNEHR-BFHYXJOUSA-N 306.410 1.427 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1 30337836 GEYYVAFDMHSAOZ-UHFFFAOYSA-N 323.374 1.163 0 40 DDAB COCC(=O)NC1CCN(Cc2nc(-c3ccco3)no2)CC1 40540211 COJOZEUNZHJJOX-UHFFFAOYSA-N 320.349 1.057 0 40 DDAB CN(Cc1ccc(Br)o1)C(=O)c1nccnc1N 40515250 IVNRUOBARRAQHM-UHFFFAOYSA-N 311.139 1.687 0 40 DDAB COc1ccccc1CNC(=O)c1nc2ccccc2c(=O)n1C 20760619 KJBWXFVKZMAYPS-UHFFFAOYSA-N 323.352 1.872 0 40 DDAB biogenic O=C(CC[C@H]1Cc2ccccc2NC1=O)NC1=NCCS1 32888291 VUBFRPDJHAOBNU-NSHDSACASA-N 303.387 1.797 0 40 DDAB Cn1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 21631080 WZQCGIABMIOXRB-UHFFFAOYSA-N 318.402 1.973 0 40 DDAB CN(CCCNC(=O)CCc1ccsc1)S(C)(=O)=O 32915123 JZLYJJNJNIHGQW-UHFFFAOYSA-N 304.437 1.078 0 40 DDAB Cc1cnn([C@@H](C)c2nnc(S)n2-c2cn(C)nc2C)c1 2789781 ZRZLQEZCXPXEFD-JTQLQIEISA-N 303.395 1.712 0 40 DDAB O=C(NC[C@@H]1CCOC1)N1CCN(Cc2ccsc2)CC1 47067778 XSQSXFGSNISPLW-ZDUSSCGKSA-N 309.435 1.612 0 40 DDAB Cc1ccc(-n2nnnc2NC[C@H](O)C2CCOCC2)cc1 76690508 UERYUINDSFVAQB-AWEZNQCLSA-N 303.366 1.170 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccccc1F)C(=O)N2 47202619 GTPPRYAOWIOUOO-KPKJPENVSA-N 318.329 1.966 0 40 DDAB CC(C)[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccccn1 78980576 ZEKANKIBXBCYOH-LRDDRELGSA-N 316.405 1.841 0 40 DDAB Cc1nc(CN2CCN(c3ncnc4nc[nH]c34)CC2)cs1 47510393 DNSSMISBLSGTPO-UHFFFAOYSA-N 315.406 1.440 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53863914 SUSYQZXBTYFEGH-BMIGLBTASA-N 323.418 1.676 0 40 DDAB O=C(CCNC(=O)c1ccccc1Cl)NC[C@H]1CCCO1 3017992 YRZCDUOBBSHPBA-LLVKDONJSA-N 310.781 1.755 0 40 DDAB O=C(NCCOc1ccccc1)NC[C@H]1CN2CCC[C@@H]2CO1 72274020 RGTSLOJGOUMVQF-ZBFHGGJFSA-N 319.405 1.228 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 42367355 IZJNMCZYZUUASD-OLZOCXBDSA-N 304.394 1.179 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CCO1 23456737 BNLATJDJAKPPNA-SNVBAGLBSA-N 324.764 1.313 0 40 DDAB C[C@H](NC(=O)c1ccc(O)nn1)c1ccc(S(C)(=O)=O)cc1 23417581 XNWLWDVSBKRLAB-VIFPVBQESA-N 321.358 1.077 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 8723765 JZAQZYQIKQUUEC-GFCCVEGCSA-N 306.366 1.068 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)NCC2CC2)C(=O)N1c1ccccc1 42615023 WTXUEXNATSJNPQ-LLVKDONJSA-N 301.346 1.370 0 40 DDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccncc2)C1=O 23953935 NHXQNPFWYVBXPK-KRWDZBQOSA-N 324.340 1.584 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CCC(=O)N1Cc1ccco1 72240998 JOPSWEFGDKKKSC-CYBMUJFWSA-N 316.361 1.760 0 40 DDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1cn[nH]c1 43099827 WQWQYDMNTCWXCF-LBPRGKRZSA-N 321.406 1.666 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2C)ccc1Cl 43113658 AFYDOZAAHNMZHN-SCZZXKLOSA-N 316.810 1.634 0 40 DDAB C[C@H]1CN([C@H](C)CNC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1 106054982 RNGYSLZOXVHKQK-MCIONIFRSA-N 323.441 1.059 0 40 DDAB Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 24800987 PZGNFJGTRKGWSK-LBPRGKRZSA-N 320.414 1.664 0 40 DDAB COC(=O)N(C)CC(=O)Nc1ccc(NC(=O)NC2CC2)cc1 55448486 MBFGGPGCMMWQIZ-UHFFFAOYSA-N 320.349 1.607 0 40 DDAB CCOc1cccc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 106705857 PYBQBUSQQHDOIA-CYBMUJFWSA-N 305.378 1.165 0 40 DDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1 35308069 XEDWYBUMACOSLL-UHFFFAOYSA-N 317.433 1.988 0 40 DDAB O=C(COC(=O)c1cnccn1)Nc1ccc(F)c(F)c1F 3234984 FNDLZEBRYUMZOY-UHFFFAOYSA-N 311.219 1.689 0 40 DDAB O=C1CCN(C(=O)NCC2(Cc3ccccc3)CCC2)CCN1 95411447 VMEIDKITKGNQOS-UHFFFAOYSA-N 315.417 1.931 0 40 DDAB Cc1noc(CCCC(=O)N2CCC[C@@H](c3nncn3C)C2)n1 48260684 DIYKYFDHNKODBJ-GFCCVEGCSA-N 318.381 1.235 0 40 DDAB COC(=O)[C@H]1CCCN1c1cc(C(F)(F)F)nc2ncnn12 97104052 DAXUGCCJNANYNH-SSDOTTSWSA-N 315.255 1.285 0 40 DDAB Cc1cc(CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)on1 27562991 XVFQWTOLJBNUNM-UHFFFAOYSA-N 314.389 1.400 0 40 DDAB CN1N=C(C(=O)NC[C@H](c2cccs2)N(C)C)CCC1=O 44893687 RPASLQNRGNSBCJ-LLVKDONJSA-N 308.407 1.075 0 40 DDAB O=C(C[C@@H]1[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]21)Nc1cccnc1 107253935 ZDYXDUCPNQONLR-MUJYYYPQSA-N 322.368 1.823 0 40 DDAB Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 44951278 GRVJJIFKMZMSSI-QWRGUYRKSA-N 300.380 1.383 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2c(F)cccc2F)n1 10390360 IBEDDXOFFNYPBK-UHFFFAOYSA-N 309.276 1.155 0 40 DDAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)[C@@H]1CCCO1 27867897 QNIBNBOQSFCMMG-JSGCOSHPSA-N 318.373 1.486 0 40 DDAB CC[C@H](C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58311744 YQVNOWNKNQFMPJ-AWEZNQCLSA-N 318.421 1.283 0 40 DDAB CCOc1ccc(C(=O)N2CCN(c3nccs3)CC2)cn1 45036808 MSURTQHIBXTABX-UHFFFAOYSA-N 318.402 1.899 0 40 DDAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)n2nnnc2N1 72332269 HSHSBKOKYBWAQM-GFCCVEGCSA-N 303.297 1.664 0 40 DDAB Cc1sc2ncnc(OCC(=O)NC[C@@H]3CCCO3)c2c1C 2656794 VWUBSQPVKLQNKP-NSHDSACASA-N 321.402 1.982 0 40 DDAB CN(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 2663880 JHOIFFXUNOACTG-UHFFFAOYSA-N 315.373 1.904 0 40 DDAB CCN(CC)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 8935772 ICDYNHFJEABSHW-UHFFFAOYSA-N 313.423 1.217 0 40 DDAB CC[C@@H](C)c1c(O)nc(SCC(=O)NC(C)(C)C)[nH]c1=O 13453830 KJIXSZSGJVDEFB-MRVPVSSYSA-N 313.423 1.996 0 40 DDAB CS(=O)(=O)N(c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4158639 QSADFVGADVFAMF-NSHDSACASA-N 323.823 1.293 0 40 DDAB CCN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 6046566 GBGPIYOUHZQUNW-UHFFFAOYSA-N 308.378 1.490 0 40 DDAB COc1ccc(CNC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 13985150 LDKWMCHBTBIFST-UHFFFAOYSA-N 315.373 1.644 0 40 DDAB COC[C@@H](C)N(C)C(=O)NCc1cccnc1N1CCOCC1 65429128 MHUIUJHCDDOHAI-CYBMUJFWSA-N 322.409 1.095 0 40 DDAB COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(OC)c2)C1 65564715 OTBQTKNCFBWRIV-LBPRGKRZSA-N 306.362 1.519 0 40 DDAB CCOC(=O)c1cnc2cc(F)ccc2c1N1CCNCC1 64874575 LUMYGSQFRKFQBB-UHFFFAOYSA-N 303.337 1.960 0 40 DDAB CCCCOC(=O)CSc1nc(O)cc(=O)n1CCC 14114388 NSTMFOWGNNTELW-UHFFFAOYSA-N 300.380 1.794 0 40 DDAB CN(C)c1ccnc(NC(=O)c2ccc(-n3cnnc3)cc2)c1 96010801 WJIGYJQYWAZFHQ-UHFFFAOYSA-N 308.345 1.981 0 40 DDAB CC(C)(C)C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 5871156 NDRHAHXQOVIUHJ-UHFFFAOYSA-N 302.330 1.593 0 40 DDAB C[C@H](CCc1cccc(F)c1)N1CCN([C@H](C)C(N)=O)CC1 97084407 KMZXYNVIGVNEBZ-ZIAGYGMSSA-N 307.413 1.638 0 40 DDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccco1 8277329 NWTMMXSEYLTTJW-OAHLLOKOSA-N 317.341 1.818 0 40 DDAB Cc1cc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)no1 69322964 PWIMELYACCGZMU-CMPLNLGQSA-N 308.382 1.572 0 40 DDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)Cc1ncc(-c2ccccc2)o1 71857614 VHUGRABFLIIRDT-NSHDSACASA-N 322.386 1.733 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2CSc3ccccc3O2)CC1 71871442 MYQBPXLHAMRZKJ-GXTWGEPZSA-N 322.430 1.065 0 40 DDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCCn1ccnc1 69777254 PJNFKAQJEWCXPH-GFCCVEGCSA-N 324.450 1.337 0 40 DDAB CC(C)c1ccc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c(O)c1 69842752 YWKWOYIKTCJWSB-LBPRGKRZSA-N 311.403 1.823 0 40 DDAB O=C(O)C[C@@H]1CSCCN1C(=O)c1cccc2cn[nH]c12 95424729 ILAIBDKLYBJXGJ-SNVBAGLBSA-N 305.359 1.595 0 40 DDAB C[C@H](NC(=O)NCCC(=O)N1CCCC[C@H]1C)c1cnn(C)c1 95404555 LEWIAMRVYXIESW-OLZOCXBDSA-N 321.425 1.571 0 40 DDAB C[C@H](CCN1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1 95428286 UXWNSNUUZMTAKW-MRXNPFEDSA-N 306.498 1.325 0 40 DDAB CCOCCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 84801211 DCDDUARFQNCMER-UHFFFAOYSA-N 316.405 1.634 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1nc(-c2ccsc2)no1)C(C)C 95955655 HNISEBNWXOPQCQ-LBPRGKRZSA-N 322.390 1.575 0 40 DDAB Cc1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n[nH]1 89497106 BEFPZVRKJQCCME-UHFFFAOYSA-N 307.379 1.076 0 40 DDAB Cc1noc(C2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)n1 75122375 VZVFXGHYMWXMJV-UHFFFAOYSA-N 302.334 1.395 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)NCc2c(C)noc2C)no1 75606983 HRNPLXZSBSTZRI-CYBMUJFWSA-N 319.365 1.436 0 40 DDAB COc1ccccc1O[C@@H](C)C(=O)NCCCN1CCOCC1 20567986 GLNOOIAOEWLZSQ-AWEZNQCLSA-N 322.405 1.301 0 40 DDAB Cc1ncc(C(=O)N2CC[C@H]([C@@H](F)C(=O)O)C2)c(C2CC2)n1 1548598693 FRYCGLRKCDMRDH-CMPLNLGQSA-N 307.325 1.547 0 40 DDAB O[C@H]1CN(c2cc(-c3ccccc3)nc3ncnn23)CC12CC2 547958952 PLTQSZAHUKPNFQ-AWEZNQCLSA-N 307.357 1.752 0 40 DDAB CC(C)[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1 79404638 VIABWCDSCQHZIK-KRWDZBQOSA-N 303.450 1.998 0 40 DDAB Cc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)on1 38790845 NHKCJVODBIMDMN-UHFFFAOYSA-N 310.313 1.845 0 40 DDAB CCc1cc(CNc2cc([C@@H]3CN(C)CCO3)nc(C)n2)on1 72387893 HRSUJLFATIRCIU-HNNXBMFYSA-N 317.393 1.951 0 40 DDAB Cc1nc(CNC(=O)N[C@H](CO)Cc2ccccc2)cs1 79024094 OOFYMSICLRKWIO-ZDUSSCGKSA-N 305.403 1.854 0 40 DDAB CCOC(=O)[C@H]1CN(Cc2c(OC)cccc2OC)CC1=O 2362797651 IKHVOUKZUUPZFT-NSHDSACASA-N 307.346 1.268 0 40 DDAB CCN1C[C@H](C(=O)Nc2cnccc2N2CCCCC2)CC1=O 79041163 IBXUJJLQUAZXRL-CYBMUJFWSA-N 316.405 1.879 0 40 DDAB O=C(Cc1n[nH]c(-c2cccnc2)n1)NCCc1cccs1 32598232 NVISBLCQHMJVMW-UHFFFAOYSA-N 313.386 1.830 0 40 DDAB O=C(C1CC1)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335791 WCSQEZGWUMTGMA-UHFFFAOYSA-N 313.361 1.003 0 40 DDAB Cn1cc(N2CCC[C@H](NC3CCC4(CC3)OCCO4)C2)cn1 186213173 ARMZHWOCWBZFHB-HNNXBMFYSA-N 320.437 1.664 0 40 DDAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cncc(C)c1 133447072 JNDOZPVDOGBJFC-CABCVRRESA-N 316.405 1.414 0 40 DDAB Cc1nc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)sc1C 43549513 JWMVQRMTOQZBGL-SECBINFHSA-N 303.409 1.316 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2cccc(Cl)c2)CC1 44444308 SUHNKFLIUOSGPO-UHFFFAOYSA-N 300.811 1.954 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 45808593 FFXUNBFDATYHFE-CHWSQXEVSA-N 318.439 1.048 0 40 DDAB CN(C)c1nccc2c1CN(C(=O)[C@@H]1NCC13CCCC3)CC2 1578430474 UPLXFHJWXGKXQP-HNNXBMFYSA-N 314.433 1.565 0 40 DDAB Cc1nc(NC[C@@H]2CC[C@@H](C(N)=O)O2)c2c(C)csc2n1 195567126 XLDVPUDOKJURTQ-UWVGGRQHSA-N 306.391 1.753 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1ccc(F)cc1 226220666 WMRQLTIYCAZHJH-IJEWVQPXSA-N 320.364 1.640 0 40 DDAB CC[S@@](=O)CC(=O)NCC1(c2ccccc2)CCOCC1 96475572 AWZWCTKDNNNEAV-NRFANRHFSA-N 309.431 1.620 0 40 DDAB CCOC(=O)c1csc(NC(=O)c2n[nH]c3c2CCC3)n1 95477639 DXYUMTNXDZTVMY-UHFFFAOYSA-N 306.347 1.784 0 40 DDAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2 91391649 OFTFYASPTMCYSK-UHFFFAOYSA-N 308.403 1.286 0 40 DDAB CN(CCNC(=O)N[C@@H]1CCCC[C@@H]1O)Cc1ccc(F)cc1 96452411 AXZSJIIRFKVHDG-CVEARBPZSA-N 323.412 1.860 0 40 DDAB O=C(c1cnccn1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158274 VYYJKTSUXBOIIY-KRWDZBQOSA-N 324.388 1.399 0 40 DDAB O=C(NC1CC1)N1CCc2ccc(=O)n(CC3CC3)c2CC1 96196705 GIEMXUWLWSLEQD-UHFFFAOYSA-N 301.390 1.531 0 40 DDAB CCOc1ccc(N2CCN(c3cc(C)nc(C)n3)CC2)nn1 96501035 CCVJJLXJQXAPBV-UHFFFAOYSA-N 314.393 1.609 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)N1CCOC[C@H]1C1CC1 96491965 FZUXTHLPVYRICA-INIZCTEOSA-N 320.437 1.790 0 40 DDAB C[C@H]1CN(C(=O)CN(C)[C@@H](CCO)c2ccccc2)C[C@@H](C)O1 96441578 BQCPAODXEUXVLU-UXLLHSPISA-N 320.433 1.678 0 40 DDAB CC(=O)Nc1cccc2c1ccn2CC(=O)NC[C@@H]1CCCO1 96232500 ASIGVIGRPISTTP-ZDUSSCGKSA-N 315.373 1.895 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3C(=O)NCCO[C@H]3C2)sc1C 96206010 RNFAGGCUOOXSKI-NEPJUHHUSA-N 308.403 1.342 0 40 DDAB CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C)C2)c1 91980029 OPZPLOQPFFHYHD-IACUBPJLSA-N 305.378 1.879 0 40 DDAB COCC[C@H]1CCOC12CCN(C(=O)c1ccn(C)n1)CC2 248092274 CKFRGMFVVZADSI-ZDUSSCGKSA-N 307.394 1.468 0 40 DDAB CC(C)N1C[C@H]2OC[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2C1 247996327 MQKDBIGKKVPOPS-NUEKZKHPSA-N 324.446 1.320 0 40 DDAB O=C(c1ccnnc1)N1CC2(C[C@H](OCC3CC3)CS2)C1 247840281 FDYJFGZWYKAEEE-ZDUSSCGKSA-N 305.403 1.603 0 40 DDAB COc1ccccc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1 257246969 IWTULLCHFSQXSK-QGZVFWFLSA-N 304.390 1.368 0 40 DDAB CNc1cncc([C@@H]2CCCN2CC(=O)N2CCCCC2)n1 257264767 LVYYXAVNTHUTJW-AWEZNQCLSA-N 303.410 1.668 0 40 DDAB CO[C@@H](CN1CCC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 252536207 HWGZETKGDDZUEY-CABCVRRESA-N 312.435 1.388 0 40 DDAB CCC(=O)N1CCCC[C@H]1c1ccnc2c(C(=O)NC)cnn12 257223091 DVVHGIYTODGGLZ-LBPRGKRZSA-N 315.377 1.553 0 40 DDAB C[C@@H](C1CC1)n1cc(NC(=O)NCCCc2nc[nH]n2)cn1 252487908 IECKLMUFNKWKNZ-JTQLQIEISA-N 303.370 1.727 0 40 DDAB O=C(O)c1cccc(CN2CCC3(CC2)OCCC[C@@H]3O)c1 257278375 OCAAIECVSSYYQO-HNNXBMFYSA-N 305.374 1.891 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccc(C)nc2)c1 257235471 GXZSIPIYHSTXJM-GOSISDBHSA-N 324.428 1.896 0 40 DDAB O=C(Cc1ccc2c(c1)CCC2)N1C[C@H](O)[C@]2(CCCO2)C1 257231282 GGALFUVCLBNSLN-WMZOPIPTSA-N 301.386 1.470 0 40 DDAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NC1CCOCC1 253399797 JYYQCJNCPXSSDO-JTQLQIEISA-N 317.345 1.699 0 40 DDAB biogenic,in-vitro CCn1nccc1-c1nccnc1[C@@H]1CCCN1S(C)(=O)=O 257250400 JMIZJYASMGUBLW-LBPRGKRZSA-N 321.406 1.457 0 40 DDAB CCOC(=O)N1[C@H]2C[C@@H]3C[C@H]1[C@@H]([C@H]2O)N(Cc1ccccc1)C3 616568837 FQEBJRNMVULMRK-WOYTXXSLSA-N 316.401 1.851 0 40 DDAB CCCCC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575405406 SIFJRHISXGHBAX-AWEZNQCLSA-N 320.393 1.511 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1cncc(-c2cccc(C)c2)c1 1548448140 NSUPXPFIBSFYTQ-DLBZAZTESA-N 311.385 1.774 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1cccc(CN2CCCCC2)c1 169980746 PYVSEIVAMNADRS-UHFFFAOYSA-N 319.254 1.926 0 40 DDAB Cc1nc([C@@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)no1 75610296 FRZFLAAPHPQPCH-VHSXEESVSA-N 318.299 1.678 0 40 DDAB C[C@@H](CS(C)(=O)=O)NC(=O)c1cncc(Br)c1 78636874 FNIJENIQYFYIMC-ZETCQYMHSA-N 321.196 1.007 0 40 DDAB COC(=O)c1cccc2c1c(I)nn2C 87493388 OMBCWORSHWJUDR-UHFFFAOYSA-N 316.098 1.965 0 40 DDAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc(OC(F)(F)F)cc1 85469442 MXODVHXVYFNMJA-JFGNBEQYSA-N 319.279 1.447 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNC[C@H]2CCS(=O)(=O)C2)cc1 97287447 ASPRUICEWSPRRE-CYBMUJFWSA-N 319.430 1.909 0 40 DDAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 1576009 XCHVIDSCZYPFTR-DGCLKSJQSA-N 322.361 1.671 0 40 DDAB CC(C)n1ncc2cc(C(=O)N3CCC[C@H](C(N)=O)C3)cnc21 40480664 ZYRYPNSMZMQIJZ-NSHDSACASA-N 315.377 1.350 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(Cc3cn(C)cn3)CC2)C1 1615152759 DJFNCROWVPAUDO-INIZCTEOSA-N 320.437 1.412 0 40 DDAB O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)C1=O 5566747 JTXHEQJZBKOGHR-CYBMUJFWSA-N 320.389 1.322 0 40 DDAB COc1cc(/C=C/C(=O)N2CCNCC2)cc(OC)c1OC 19684084 ZQXXBLADSLNAAT-SNAWJCMRSA-N 306.362 1.157 0 40 DDAB O=C(CN1CC[C@@H](C(=O)NC2CCCC2)C1)Nc1nccs1 19747838 LYMAVEXNJPLCJN-LLVKDONJSA-N 322.434 1.462 0 40 DDAB CCc1noc(C)c1C(=O)N1CC(C(=O)N2CCCCC2)C1 19748670 PKSXZGSMLAXQKP-UHFFFAOYSA-N 305.378 1.630 0 40 DDAB COC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2cnccn2)CC1 19749791 YTAKSBIHBUAMKL-GFCCVEGCSA-N 320.393 1.013 0 40 DDAB Cc1cc(N2CC[C@@H](Nc3nnc(C(C)C)s3)C2=O)n(C)n1 154080238 RYVOIRRUOLJITJ-SNVBAGLBSA-N 320.422 1.921 0 40 DDAB Cc1sc2ncnc(OCC(=O)NC[C@H]3CCCO3)c2c1C 2656793 VWUBSQPVKLQNKP-LLVKDONJSA-N 321.402 1.982 0 40 DDAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)[C@H]1CCOC1 1888854016 SHJGBLRMXGHMFN-ZFWWWQNUSA-N 301.346 1.058 0 40 DDAB CC(C)c1noc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)n1 1888913535 VNOGQRQKHPXLBC-ZDUSSCGKSA-N 322.409 1.406 0 40 DDAB CCN=c1cc(C)nc(N2CCN(Cc3cnoc3C)CC2)[nH]1 1889096044 NSRQCVQXLLBSJM-UHFFFAOYSA-N 316.409 1.257 0 40 DDAB COCCNC(=S)Nc1cc(OC)c(OC)c(OC)c1 7523076 JFUWOBREULOTJH-UHFFFAOYSA-N 300.380 1.645 0 40 DDAB O=C(c1cc[nH]c1)N1CC2(CCN(C(=O)c3cscn3)C2)C1 1019096718 ZOFLMVFTTGPSOB-UHFFFAOYSA-N 316.386 1.460 0 40 DDAB COc1cnc(O[C@H]2CCN(c3nc(C)cc(C)n3)C2)nc1 2087126175 YZRQPCYWLGBLBT-LBPRGKRZSA-N 301.350 1.550 0 40 DDAB COCCN1CC2(CCN(C(=O)c3cccs3)CC2)CC1=O 1565542102 MGOQFKCXZKRRPE-UHFFFAOYSA-N 322.430 1.849 0 40 DDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 4505261 ZJJFLAYIEKGVGI-NSHDSACASA-N 321.395 1.023 0 40 DDAB CN1CCN([C@@H](c2cccs2)c2nnnn2C(C)(C)C)CC1 20052292 VROJWTBQUGXOIZ-ZDUSSCGKSA-N 320.466 1.826 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)cc1 40477432 DCZPOFUBBDILSC-GXTWGEPZSA-N 304.346 1.161 0 40 DDAB Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1 40466577 FSOWMYXOSFZZAZ-ZDUSSCGKSA-N 322.430 1.968 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C)o1 31554042 PHMFSIHVHPBTQI-UHFFFAOYSA-N 308.359 1.426 0 40 DDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 100794959 HCLQOVFPYQXQCV-VIFPVBQESA-N 301.298 1.608 0 40 DDAB biogenic Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C)CC3)ccc12 20411059 SZVMRUVIWJRGSU-UHFFFAOYSA-N 316.357 1.254 0 40 DDAB biogenic CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)Cn1cccn1 40542274 LAXRVNVIWVNADU-ZDUSSCGKSA-N 317.393 1.953 0 40 DDAB Cn1cc(NC(=O)c2c(C(=O)O)cnn2C)c(C(F)(F)F)n1 20616615 AUZCTGXIDSRSRS-UHFFFAOYSA-N 317.227 1.123 0 40 DDAB COCCCNc1c(NCc2ccccc2Cl)c(=O)c1=O 101657599 KCJDBAJMBIKKLN-UHFFFAOYSA-N 308.765 1.997 0 40 DDAB Cc1[nH]c2nc(NC(=O)C3CC3)nn2c(=O)c1Cc1ccccc1 101809822 MNCIYCVZVSFUNP-UHFFFAOYSA-N 323.356 1.665 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)NC[C@H]1CCOC1 41366850 SQOMGTTWCMJXAO-CYBMUJFWSA-N 315.373 1.248 0 40 DDAB CC(C)c1nc(CSc2nnc(C3CC3)n2CC(N)=O)no1 52891882 UEAXWDYINFKHPH-UHFFFAOYSA-N 322.394 1.440 0 40 DDAB Cc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](C)S(C)(=O)=O)CCC2 79040811 VTKBWEMLGOOYBZ-LDYMZIIASA-N 316.448 1.720 0 40 DDAB COc1cccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)c1 47236175 SUTQQXOTCVFVGR-MDZDMXLPSA-N 302.374 1.965 0 40 DDAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc2ccccc12 4954032 MAZNKLATDRBDTB-PASDCYSWSA-N 321.332 1.645 0 40 DDAB COc1ccc(Br)cc1NC(=O)Cn1cnnn1 42351045 FGOVCSWGHPEZAR-UHFFFAOYSA-N 312.127 1.083 0 40 DDAB O=C(c1cnn2ccccc12)N1CCC(c2cc(=O)[nH]cn2)CC1 23145433 SITFPRJHDFQNEV-UHFFFAOYSA-N 323.356 1.437 0 40 DDAB CC(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 23310979 PXKDWSYIARHJPD-LBPRGKRZSA-N 308.403 1.904 0 40 DDAB O=C(NCC(=O)N1CCCC1)C1=NO[C@@H](c2ccccc2)C1 54364578 BAGRILZYUXSBLV-CQSZACIVSA-N 301.346 1.243 0 40 DDAB Cc1nn2c(=O)cc(COC(=O)Cc3ccccc3)nc2s1 8605528 GRNXEXFBFXLNII-UHFFFAOYSA-N 315.354 1.745 0 40 DDAB Cc1cc(CN2CCN(Cc3nc(C(C)C)no3)CC2)on1 42542200 MGSVRLHSFWEUOL-UHFFFAOYSA-N 305.382 1.807 0 40 DDAB CCOC(=O)[C@@H]1CCCN(CN2C(=O)C(=O)c3ccccc32)C1 24102930 CGMPTOWMMAWNTK-GFCCVEGCSA-N 316.357 1.449 0 40 DDAB O=Cc1ccc(N2CCN(c3ncnc4[nH]ncc34)CC2)s1 12556511 OYHVCIRYIIFYSR-UHFFFAOYSA-N 314.374 1.554 0 40 DDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc2[nH]nnc2c1 43283036 PSWTYSBFPUWQBS-GFCCVEGCSA-N 312.333 1.586 0 40 DDAB COc1ccc(C[C@H]2CCCN2C(=O)Cn2cncn2)cc1 55610168 BIRSFAJSIYUDEO-CQSZACIVSA-N 300.362 1.520 0 40 DDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@H]2CCC[C@H]21 106829980 GQHVQYXQTHNJCV-KFWWJZLASA-N 316.405 1.473 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1cnc2ccccc2n1 43509872 QDKWBKOZWHRGRT-CQSZACIVSA-N 303.343 1.320 0 40 DDAB O=C(c1ccon1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520200 KERKHPLQWBMLGJ-CVEARBPZSA-N 313.357 1.400 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2C 26850733 YBCVZOTWYVCFSE-NSHDSACASA-N 310.379 1.381 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)NC3CCC(O)CC3)C2)n1 57774232 XRUXZNKHCOXYHI-HIFPTAJRSA-N 308.382 1.571 0 40 DDAB O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1C(=O)O 95399988 NAAMMCVMDYTXQH-VXGBXAGGSA-N 306.318 1.897 0 40 DDAB Cc1cc(NC(=O)CNc2ccccc2CS(C)(=O)=O)on1 58178530 XJNGPYHWRPQULV-UHFFFAOYSA-N 323.374 1.578 0 40 DDAB O=c1[nH]nc(SCCn2cccn2)n1CCc1ccccc1 58208943 CSEJUTYTSLWBFT-UHFFFAOYSA-N 315.402 1.803 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NC(C)C 58278939 FOPBLZFDQMKMOG-UHFFFAOYSA-N 300.362 1.598 0 40 DDAB CCCC(=O)NCC(=O)N1CCC[C@@H]1c1nncn1CC(C)C 84739850 XTIPPFNWGKMDOX-CYBMUJFWSA-N 321.425 1.514 0 40 DDAB CCCNC(=O)NC(=O)CN1CCC(n2c(C)ccc2C)CC1 58330081 JWTBHZGEUKGVTK-UHFFFAOYSA-N 320.437 1.978 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[C@@H]1CCCO1 27900464 HYQYFNXFKMIBFD-SCRDCRAPSA-N 306.362 1.312 0 40 DDAB Cn1nc(C(=O)Nc2ccncc2)cc1C(=O)Nc1ccncc1 36617897 FEMFKJCBIGCMGE-UHFFFAOYSA-N 322.328 1.715 0 40 DDAB CCN(Cc1nonc1C)C(=O)c1cc(C(F)(F)F)nn1C 28233727 BVJMOOVFXSUVTP-UHFFFAOYSA-N 317.271 1.793 0 40 DDAB CCCCNC(=O)C(=O)NCC(=O)Nc1ccccc1Cl 12862692 ABCHZJCMDIBTLN-UHFFFAOYSA-N 311.769 1.311 0 40 DDAB Cc1nc(N2CCN(C(=O)C3CC3)CC2)c2c(n1)c(C)nn2C 28557451 BEHNQABHXWMIFQ-UHFFFAOYSA-N 314.393 1.039 0 40 DDAB COCC(=O)Nc1cccc(NCC(=O)NCC(F)(F)F)c1 29943516 CEECXSJFDFRILM-UHFFFAOYSA-N 319.283 1.362 0 40 DDAB CC(=O)c1csc(C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)c1 95445611 PMUDCZFIZPKPSX-KGLIPLIRSA-N 322.430 1.934 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 71285434 TYCBEKVUELNSMY-STQMWFEESA-N 316.357 1.874 0 40 DDAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H]1CCC(=O)N1 95417626 XJAHEOBGHXPAOT-HUUCEWRRSA-N 322.380 1.622 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(Cc2nnsc2Cl)C1 49442165 ZXQMGLQXUOUTLB-MRVPVSSYSA-N 301.803 1.181 0 40 DDAB CN1C[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O 65459481 XDWMMCMMIHCQMU-HZPDHXFCSA-N 315.417 1.246 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H](C)COC 65435037 VRSQBSPQQFAXLD-LLVKDONJSA-N 318.377 1.490 0 40 DDAB Cc1nccc(CNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 65586996 SWVNQSSFKXWUET-DVOMOZLQSA-N 320.437 1.535 0 40 DDAB Cn1nccc1C1CCN(CC(=O)Nc2nncs2)CC1 65590167 ACBDBWUDPVUNLE-UHFFFAOYSA-N 306.395 1.090 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCCCCC3)nc2n1 65575713 DEXNWIQUXJHKNY-UHFFFAOYSA-N 316.409 1.347 0 40 DDAB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)CN)C1 79412450 XMZFXTQJXILMAV-HNNXBMFYSA-N 319.405 1.593 0 40 DDAB O=C1CN(C(=O)CSc2cccc[n+]2[O-])c2ccccc2N1 4825431 COBRZWMXQJHXOV-UHFFFAOYSA-N 315.354 1.397 0 40 DDAB CN(C)C(=O)[C@H](OC(=O)c1nccnc1N)c1ccccc1 9448255 ORHMUXOZOCDRFR-GFCCVEGCSA-N 300.318 1.045 0 40 DDAB COc1ccc([C@@]2(C)NC(=O)N(C[C@@H]3CCCO3)C2=O)cc1 7081248 KALCRTBXALCGDT-XJKSGUPXSA-N 304.346 1.641 0 40 DDAB C[S@@](=O)CCNC(=O)N1CCSC2(CCCCC2)C1 96456723 VXMXALADOWBNIX-IBGZPJMESA-N 304.481 1.826 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 9515591 WOUMLJQRUQFZPQ-LLVKDONJSA-N 323.393 1.453 0 40 DDAB Cn1cc(CCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cn1 80940062 DOEMGXYUAPWZLU-UHFFFAOYSA-N 315.352 1.727 0 40 DDAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCCC2)c1 7989522 ZEPGQRIXFCQEHE-UHFFFAOYSA-N 317.418 1.994 0 40 DDAB NC(=O)c1ccsc1NC(=O)CCC(=O)N1CCCCC1 8133465 FOHXUKIHWAZNNI-UHFFFAOYSA-N 309.391 1.578 0 40 DDAB COC[C@@H](C)n1c(NCCN(C)C)nc2ccccc2c1=O 69191525 VTHVZMRFBJSCIG-GFCCVEGCSA-N 304.394 1.577 0 40 DDAB CN(C)c1cccc(CN2CCCN(S(C)(=O)=O)CC2)c1 71924066 LGDVBBUFRTXVRD-UHFFFAOYSA-N 311.451 1.220 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H]1CC=CCC1 69743324 JRIUWKSJHJNTFA-ZDUSSCGKSA-N 314.389 1.654 0 40 DDAB COCCN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 69810325 AQCAUQLMGOHKSI-HNNXBMFYSA-N 311.470 1.430 0 40 DDAB Cc1nc2ccccc2nc1NCC1(O)CCS(=O)(=O)CC1 84927418 PQBMJNDUPNKJII-UHFFFAOYSA-N 321.402 1.290 0 40 DDAB O=S(=O)(CCNCc1cccc2cn[nH]c12)NCC1CCC1 84023567 ZPFPAESQGCYNRH-UHFFFAOYSA-N 322.434 1.372 0 40 DDAB Cc1csc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)n1 97048178 VDAHKIOYGZDUNE-LLVKDONJSA-N 306.395 1.987 0 40 DDAB NC(=O)CCCNC(=O)CCc1cc(Br)cs1 72270495 HMBPZXQAVKBROM-UHFFFAOYSA-N 319.224 1.825 0 40 DDAB O=C(CN1CCn2ccnc2C1)NCCc1ccc(F)cc1 97201132 FEIPWYATORXWNT-UHFFFAOYSA-N 302.353 1.197 0 40 DDAB CC[C@@H](COC)NS(=O)(=O)c1cc(F)cc(C(=O)O)c1 95940686 OTJCJCKXUIPRMT-JTQLQIEISA-N 305.327 1.227 0 40 DDAB C[C@H]1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)C[C@H](C)C1 89929917 HWXWQRPKUHMXEX-NWDGAFQWSA-N 304.456 1.887 0 40 DDAB COCc1nc(C(=O)N2CCC[C@@H]2c2noc(C)n2)cs1 76046527 XUZJCVRDZKYYOI-SNVBAGLBSA-N 308.363 1.958 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2[C@H]1CCN2c1nncs1 306126430 DVKCCTKHCIEDCN-CHWSQXEVSA-N 305.407 1.996 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCOCC2(CCC2)C1 1551488619 YKMSUNWRTMIMTA-HZPDHXFCSA-N 315.417 1.823 0 40 DDAB C[C@H]1NC(=S)N(CCOc2cccc3c2OC(C)(C)C3)C1=O 27223906 PULOOIQUYYZARX-SNVBAGLBSA-N 320.414 1.884 0 40 DDAB O=C(Cc1ccc(F)cc1)NC[C@@]1(OCCO)CCSC1 1565519649 KMBFQCVRBPVBMP-HNNXBMFYSA-N 313.394 1.369 0 40 DDAB CC(C)(C)n1cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cn1 556176873 FHAWIOYXEKNSGI-KBPBESRZSA-N 311.451 1.790 0 40 DDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(C3CC3)cc2)CCO1 556702961 HCFVCNKFANHSJS-ZDUSSCGKSA-N 311.359 1.038 0 40 DDAB CCOC[C@H](O)CN1CCN([C@@H](C)c2cccc(OC)c2)CC1 79099909 QVSBGGJIOTXFKR-DOTOQJQBSA-N 322.449 1.771 0 40 DDAB CC(C)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 35051052 LWFWZRANSFAJDR-GXTWGEPZSA-N 303.362 1.263 0 40 DDAB endogenous,in-man CCCC(=O)N1CCc2nc([C@H]3CCCN3C(C)=O)ncc2C1 72390831 LBONEPOFOITISK-OAHLLOKOSA-N 316.405 1.845 0 40 DDAB CN1CCC[C@@H]1c1ccnc(C(=O)NCCN2CCCC2=O)c1 72387195 GCGSLPWMWYEITQ-OAHLLOKOSA-N 316.405 1.201 0 40 DDAB CN1CC(=O)N(Cc2noc(-c3ccc(F)cc3F)n2)C1=O 187729817 YHBDRQZBTUCHEQ-UHFFFAOYSA-N 308.244 1.409 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(CCO)C2)n1 72360134 MCUTUVLPTJCDIC-ZDUSSCGKSA-N 314.393 1.490 0 40 DDAB COc1c(C(=O)OCc2nccn2C(F)F)c(C)nn1C 79028593 WHDQUOKEDRVDII-UHFFFAOYSA-N 300.265 1.686 0 40 DDAB COc1ccc(C(N)=O)cc1NCC(=O)Nc1cc(C)on1 79090117 RRFPISGLLBQFMS-UHFFFAOYSA-N 304.306 1.141 0 40 DDAB O=C(O)COc1ccc(CO)cc1I 34772781 AFQMXBLLKKDCMP-UHFFFAOYSA-N 308.071 1.247 0 40 DDAB O=C(NC[C@@H]1CNCCCO1)c1ncccc1C(F)(F)F 564727157 QHJFEIHYHHNBTH-VIFPVBQESA-N 303.284 1.209 0 40 DDAB Cc1cc(Br)cc(C(=O)NC[C@@]2(O)CCOC2)c1 184817176 UMOAYQRBEBVMKW-ZDUSSCGKSA-N 314.179 1.639 0 40 DDAB C[C@H]1CN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)C[C@H](C)O1 46089161 QJHCTZPGMCNRFF-UWVGGRQHSA-N 306.366 1.018 0 40 DDAB CN(C)c1ncc(CNC(=O)[C@H]2CCc3ccccc3C2)n1C 565955226 YRSRZXCBYODWGX-HNNXBMFYSA-N 312.417 1.907 0 40 DDAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1 45954037 QZAOHPSNRAPCAJ-LBPRGKRZSA-N 304.346 1.049 0 40 DDAB CN(C)CC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485884 QWAILQKYRWYRKV-ZDUSSCGKSA-N 321.352 1.445 0 40 DDAB biogenic,in-vitro Cc1cc(NC(=O)[C@H](C)[S@@](=O)c2nncn2C(C)C)on1 86309595 MENZBAUQJFREMD-FPVGNUTFSA-N 311.367 1.290 0 40 DDAB COCCCNC(=O)COc1nn(-c2ccccc2)cc1C 226852342 XDGFKMOUHLDNOT-UHFFFAOYSA-N 303.362 1.712 0 40 DDAB CCN(C[C@H]1CCN(C(=O)c2cc[nH]n2)C1)CC(F)(F)F 96448337 MXVVCFCYHHIZIY-SNVBAGLBSA-N 304.316 1.756 0 40 DDAB O=C(c1ccccn1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96184003 GRPJCMQTLXFPCB-CVEARBPZSA-N 322.368 1.492 0 40 DDAB CS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1ccccn1)C2 96047426 KHWPHZOZWQKUQI-INIZCTEOSA-N 323.462 1.862 0 40 DDAB NC(=O)c1cnc(N2CCC[C@H](c3nc[nH]n3)C2)c(Cl)c1 96452914 FCBYJYHSKMLKFO-QMMMGPOBSA-N 306.757 1.336 0 40 DDAB O=S1(=O)[C@@H]2CCNCC[C@@H]2CN1Cc1cccc(Cl)c1 96145418 YBLSJMJYPHCCRO-TZMCWYRMSA-N 314.838 1.854 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1 92607284 NBSRZVMGQGOYLY-LLVKDONJSA-N 324.381 1.287 0 40 DDAB CN(C)CCO[C@H]1CN(C(=O)c2cccs2)[C@@H]2COC[C@@H]21 96184996 MVOXEAQSNJOCSX-XQQFMLRXSA-N 310.419 1.166 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1)N1CCCO1 96057691 XYNZAQBZPXRFFL-RRFJBIMHSA-N 322.430 1.891 0 40 DDAB COc1c(C(=O)Nc2ccon2)nnn1Cc1ccc(C)cc1 96183382 OZCHBRKOMBJWOP-UHFFFAOYSA-N 313.317 1.884 0 40 DDAB O=C([C@H]1CCOC1)N1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1 96217983 UTFATKOVBPLPJW-MAUKXSAKSA-N 320.433 1.807 0 40 DDAB CC(C)n1nnc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 96232634 OBCSWCWAZVCNFM-CQSZACIVSA-N 315.377 1.830 0 40 DDAB COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2cnn(C)c2)CC1 97233550 MDWHICRMUNPDJU-LSDHHAIUSA-N 319.405 1.715 0 40 DDAB Cc1ccc(Cn2nnc(C(=O)N3CCOCC3)c2Cl)cc1 96183401 DRIBGFPTOVJTRP-UHFFFAOYSA-N 320.780 1.761 0 40 DDAB COc1ccc(=NC(=O)N2CCOC[C@H](C3CCC3)C2)[nH]n1 333205006 SBURDVHCLBSZSB-GFCCVEGCSA-N 306.366 1.188 0 40 DDAB COCCN1CCN(Cc2ccc(-n3cncn3)c(C)c2)CC1 96489524 JUBHCGOBMXMUPZ-UHFFFAOYSA-N 315.421 1.340 0 40 DDAB O=C1OCCN1c1cccc2c1CCN(CCn1cncn1)C2 96441595 UHACIXDUMWFSEU-UHFFFAOYSA-N 313.361 1.293 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 245225170 OUVULGODGMMJHB-UHIISALHSA-N 318.373 1.963 0 40 DDAB CC[C@H](O)CN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 245287208 BLMRDTHFNHOYMO-ZOBUZTSGSA-N 320.433 1.900 0 40 DDAB CN1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C(C)(C)C1 253401506 NBZKZFDFWJEITH-OAHLLOKOSA-N 305.397 1.676 0 40 DDAB biogenic,in-vitro COCCN1CCC(Cc2cncc(-c3cncn3C)n2)CC1 257205386 AYUBIPLDAIGROW-UHFFFAOYSA-N 315.421 1.778 0 40 DDAB CC(=O)N1CC2(CCN(Cc3ccn(C)n3)CC2)C[C@]1(C)CO 257199984 ABNLFAACFYFQLK-MRXNPFEDSA-N 320.437 1.006 0 40 DDAB COc1c2ccc(C(=O)N3CCc4ncncc4C3)cc2nn1C 96122782 OLBSUGLYOCBOHE-UHFFFAOYSA-N 323.356 1.570 0 40 DDAB CO[C@H]1CN(c2ccnc(C)n2)C[C@@H]1CC(=O)N1CCCC1 585276160 MNEVEQAQJUZPNM-KBPBESRZSA-N 304.394 1.249 0 40 DDAB Cn1cnc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)c1 585275293 CKOBJXQAYQTKGQ-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB O=C([C@@H]1CCOC1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099068 HVEMLPSJWKEJIE-HIFRSBDPSA-N 305.378 1.057 0 40 DDAB COc1ccnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 65531236 FMVDRRUHFYMXLM-OAHLLOKOSA-N 314.389 1.341 0 40 DDAB Cn1c(CN2CCCSc3ccccc32)cc(=O)n(C)c1=O 44892723 YSVYKLUIUQOFLP-UHFFFAOYSA-N 317.414 1.586 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCN(c2nccs2)C(=O)C1 1565521875 CSIINHSNHMJVHP-UHFFFAOYSA-N 318.358 1.498 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccccn2)c(=O)[nH]1 75111069 OTRNWEVKWKMKSJ-LBPRGKRZSA-N 300.362 1.947 0 40 DDAB CCOc1cccnc1C(=O)NCc1nc(-c2ccco2)n[nH]1 96451260 RMFLTKXRHIUMOW-UHFFFAOYSA-N 313.317 1.788 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cc(F)ccc1F 76065872 XIWAWDRHFKLIDQ-OAHLLOKOSA-N 318.323 1.720 0 40 DDAB CCOc1ccc(OCC(=O)N2CCn3cnnc3C2)cc1 105839471 MKPWXZBQQPBPJL-UHFFFAOYSA-N 302.334 1.098 0 40 DDAB COC(=O)N1CC[C@H](N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 108101971 XJWXFQZDYYRPTQ-BHYGNILZSA-N 317.433 1.937 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n(C)n1 91757099 IBHAAWZDIBFODO-FZMZJTMJSA-N 321.327 1.955 0 40 DDAB CCC(=O)N1CC[C@@H](Nc2cncc(-n3ccnc3C)n2)C1 92922414 MIWLDHOJSZFVLW-GFCCVEGCSA-N 300.366 1.394 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCCO3)cn2)n1 40513856 RMUKOWZENFFTMH-CQSZACIVSA-N 300.362 1.793 0 40 DDAB O=S(=O)([C@@H]1CCN(Cc2ccsc2)C1)N1CCCC1 92045039 JMLLEIPZEXBEPY-CYBMUJFWSA-N 300.449 1.748 0 40 DDAB COc1cccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)c1 5400176 FIFTXHNNWPMDFH-UHFFFAOYSA-N 313.357 1.541 0 40 DDAB CCCCOC(=O)COCC(=O)O[C@H](C)C(=O)OCCCC 5552558 SABTVJYINBLNLY-GFCCVEGCSA-N 318.366 1.621 0 40 DDAB COCCNC(=O)Cn1c(C2CCOCC2)cc2cccnc21 12222518 KXSGDCRERCMHQF-UHFFFAOYSA-N 317.389 1.693 0 40 DDAB O=C(NCCN1CCCCC1)c1nc(-c2cccnc2)no1 12409657 SHOHQHWVXXFZQO-UHFFFAOYSA-N 301.350 1.347 0 40 DDAB Cc1ccc(OCC(=O)N2CCN(c3nccn3C)CC2)cc1 13693535 FXUDBRNWMLLLDH-UHFFFAOYSA-N 314.389 1.456 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)NCc1ccccc1Cl 14129133 CMQBWXNBTLDSAA-ZETCQYMHSA-N 311.798 1.837 0 40 DDAB COC[C@@H](C)N1C[C@H](C(=O)N2c3ccccc3C[C@@H]2C)CC1=O 16552502 KWZWGXHNKOEAJV-GZBFAFLISA-N 316.401 1.848 0 40 DDAB CCCCc1nc2n(n1)[C@@H](C(=O)Nc1ccncc1)CC(=O)N2 17052710 QUBKYHPUUNBCDF-LLVKDONJSA-N 314.349 1.538 0 40 DDAB Cc1cnc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)n[nH]2)cn1 19238965 IROTXICFMIPYOY-JTQLQIEISA-N 309.333 1.456 0 40 DDAB Cc1c(O)nc2nnc(SCC(=O)N3CCCC3)n2c1C 4250362 LCVHTDYDFJKZKK-UHFFFAOYSA-N 307.379 1.161 0 40 DDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CCCC2)n1 7418654 WECLZMSSJPHHPM-UHFFFAOYSA-N 301.350 1.701 0 40 DDAB O=C([C@@H]1CCCO1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238935174 VLATWJRZYFQLHR-SFYZADRCSA-N 305.256 1.583 0 40 DDAB CCOC(=O)C1CCN(C(=S)NC(=O)c2ccccc2)CC1 13624857 YXXDUMFHCOXEIE-UHFFFAOYSA-N 320.414 1.976 0 40 DDAB CC(C)NC(=O)NC(=O)CNc1ccccc1OC(F)F 30291070 DFAAPQKBSVCZET-UHFFFAOYSA-N 301.293 1.934 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)C2CCCCC2)C1=O 3336817 IYTLDENWVSELQK-ZDUSSCGKSA-N 309.410 1.744 0 40 DDAB O=C(COC(=O)c1n[nH]c2ccccc12)NC[C@@H]1CCCO1 6370935 DAEWEPFQKVBWQE-JTQLQIEISA-N 303.318 1.015 0 40 DDAB Cc1ccc(-c2nc(COC(=O)Cn3cnnn3)cs2)cc1 22677865 MPXNDFKCHAOHGY-UHFFFAOYSA-N 315.358 1.848 0 40 DDAB Cc1cccnc1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037984639 ICGYOBAJUORGFG-KRWDZBQOSA-N 317.389 1.244 0 40 DDAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)no1 2037984676 JRYONHJFBXPIFM-INIZCTEOSA-N 321.377 1.091 0 40 DDAB C[C@@H](O)CN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4280009 GUBIJNTUYZRNSJ-KCJUWKMLSA-N 300.742 1.092 0 40 DDAB COCCNC(=O)C(=O)NCC1(c2cccs2)CCCC1 13804172 YWZBOTPMKSLRIF-UHFFFAOYSA-N 310.419 1.439 0 40 DDAB O=C(NCC1(CO)CC1)C(=O)Nc1ccc(F)c(Cl)c1 49462281 QVNKZQHJKDCHGP-UHFFFAOYSA-N 300.717 1.306 0 40 DDAB Cn1cnnc1CNC(=O)CCCOc1ccccc1Cl 50561860 QDHNPOPXQWNGPB-UHFFFAOYSA-N 308.769 1.944 0 40 DDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCOCC1 20445197 XGRKNJHUKNDQCD-GFCCVEGCSA-N 303.362 1.083 0 40 DDAB O=C(Nc1nc[nH]n1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 52536724 DGOOWYZCGYBMHT-MRVPVSSYSA-N 307.745 1.103 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 41128799 WNEVVGXNUWRHFS-AWEZNQCLSA-N 312.373 1.139 0 40 DDAB CC(C)N1C[C@H](C(=O)NC[C@H](c2ccco2)N(C)C)CC1=O 32826397 XFNRIQGVWICCHQ-CHWSQXEVSA-N 307.394 1.255 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCC1 41247536 ORZPAJPHQSXFNW-JTQLQIEISA-N 316.810 1.629 0 40 DDAB CCOC(=O)[C@@H]1CCCN(Cc2nc3ccsc3c(=O)[nH]2)C1 21847990 CEYJVLFJSHAPHS-SNVBAGLBSA-N 321.402 1.760 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)C(=O)O)ccc12 139296 BKTYCTUBDJNJLN-SECBINFHSA-N 305.286 1.070 0 40 DDAB biogenic Cc1c(Br)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1C 2771077 BLFMTPCYGVTRGM-YUMQZZPRSA-N 316.199 1.740 0 40 DDAB Cc1cc2c(=O)n(NC(=O)c3ccn(C)n3)c(C)nc2s1 373301 OZRNWBUGSQIMPQ-UHFFFAOYSA-N 303.347 1.192 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)NC2CCC(C)CC2)c1 22190974 LWEGNRSUVXQTRI-UHFFFAOYSA-N 306.362 1.330 0 40 DDAB COc1ccc2c(c1)C[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O 854531 KPDIELDEQWIYKQ-KDOFPFPSSA-N 309.321 1.890 0 40 DDAB CC1CCN(C[C@@H](O)CNC(=O)c2cc(F)ccc2F)CC1 78595492 BNNQBPTYYUTASV-ZDUSSCGKSA-N 312.360 1.787 0 40 DDAB Cc1cc2nnc(SCC(=O)Nc3nccs3)n2c(N)n1 4966058 CJDDQAPXGBGEBA-UHFFFAOYSA-N 321.391 1.202 0 40 DDAB CC(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6326370 RNNZHCHORVRWSZ-SNVBAGLBSA-N 318.826 1.779 0 40 DDAB C/C=C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@H](CC)NC(=O)N1 6642458 IIMBRAACTLWUGW-QNLYVRDBSA-N 322.361 1.571 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@@H]13)O2 100634806 QYMZHOGQALMWHM-SZOQZIPDSA-N 315.325 1.155 0 40 DDAB O=S(=O)(CCc1ccncc1)Nc1[nH]nc2ccccc12 54433051 QCRWOWAMBUAYNZ-UHFFFAOYSA-N 302.359 1.942 0 40 DDAB OCCc1cnn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 97375720 HXYDWXGCBUSXSK-UHFFFAOYSA-N 321.743 1.839 0 40 DDAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCCC1 8118957 UIWWZJPTOIAMGO-NSHDSACASA-N 311.407 1.147 0 40 DDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COc1ccccc1 24209995 CEBSGWNCEQEHJS-AEGPPILISA-N 303.358 1.602 0 40 DDAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@H]1N23 50353394 BUANTXPATFEOJA-BJJPWKGXSA-N 323.389 1.313 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cccs1 25290241 ASAWAMPARZENLZ-UHFFFAOYSA-N 303.387 1.910 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@H]2CCc3c(F)cccc32)CC1 56857101 ZQNGKCMGWDVALK-AWEZNQCLSA-N 305.353 1.720 0 40 DDAB CCCn1nnnc1CNc1cccc(C(=O)N2CCCC2)c1 84759147 BCRGPGMGEMICMN-UHFFFAOYSA-N 314.393 1.931 0 40 DDAB Cc1ccn2cc(C(=O)NCc3nnc4n3CCCCC4)nc2c1 57985048 SOZLNYJHPDKYCG-UHFFFAOYSA-N 324.388 1.891 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@H]2C(=O)NCC2CC2)C1 107263637 LCIXAKHWERLXMJ-IIAWOOMASA-N 319.405 1.407 0 40 DDAB C[C@H](C(=O)N1CCCC1)N1CCN(c2ccccc2O)CC1 58160686 OESIKSSQRRZAOQ-CQSZACIVSA-N 303.406 1.525 0 40 DDAB CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(SC)cc1 58198502 HCUKADPBYYCXDF-LBPRGKRZSA-N 314.432 1.308 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2n1 58289579 IBAGSNMZCBOEIU-CABCVRRESA-N 311.385 1.828 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCCN2CCOCC2)c1 25436383 XNBHIJOEQKCAFZ-UHFFFAOYSA-N 312.435 1.304 0 40 DDAB O=C(CS(=O)(=O)c1ccc(F)cc1F)NCc1ccco1 44948282 GOPADEMNVLXQCQ-UHFFFAOYSA-N 315.297 1.648 0 40 DDAB COc1c(CNCCNC(=O)c2ccccc2F)c(C)nn1C 58307318 GNBIUGVEVDVELQ-UHFFFAOYSA-N 320.368 1.396 0 40 DDAB COc1cc(OC)cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 58403214 BIOHRIZMSLPTGM-CZUORRHYSA-N 320.389 1.297 0 40 DDAB COc1cc(CNC(=O)c2nn(C)c(=O)c3ccccc23)ccn1 48276122 SRRLWEFIEAIJKB-UHFFFAOYSA-N 324.340 1.267 0 40 DDAB CCCCNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 20744550 JEIMNDYNGCHCAS-UHFFFAOYSA-N 318.417 1.767 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Oc2ccc(F)cc2)CC1 21892064 MJOMZHXYOPVICJ-UHFFFAOYSA-N 301.339 1.403 0 40 DDAB CCCn1c(S(=O)(=O)Cc2cccc(Cl)c2)n[nH]c1=O 60330528 FHFNRKPMBCLADU-UHFFFAOYSA-N 315.782 1.609 0 40 DDAB CC(=O)N1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 37187831 ASEHGFAGEOXYMB-CYBMUJFWSA-N 301.390 1.128 0 40 DDAB C[C@H](C(N)=O)S(=O)(=O)Cc1coc(-c2cccs2)n1 48482143 ZBQZACJDJCMQBZ-SSDOTTSWSA-N 300.361 1.192 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NCC[C@@H]1CCCO1 70960390 VYLFQDXKNJPBFE-ZDUSSCGKSA-N 315.373 1.472 0 40 DDAB 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DDAB biogenic NC(=O)C1CCN(Cc2cc(=O)oc3ccc(O)cc23)CC1 6759279 CZCDUFFGOPXITQ-UHFFFAOYSA-N 302.330 1.196 0 40 DDAB biogenic CC1(C)COCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78088737 NTTJIDXLTIVSQT-INIZCTEOSA-N 318.417 1.525 0 40 DDAB CN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN 79392845 XJLXCVZSFIVJMR-CQSZACIVSA-N 305.378 1.205 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1CCc1cccnc1-n1ccnc1 72364822 JWLJHFNLKXTWIV-AWEZNQCLSA-N 320.418 1.624 0 40 DDAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC1 76938589 XMLIGIBHDHKXQB-UHFFFAOYSA-N 303.330 1.848 0 40 DDAB O=C(N[C@H]1CC=CCC1)N1CCN(C(=O)c2ccco2)CC1 77642595 ISKFJBLVHJJGRL-ZDUSSCGKSA-N 303.362 1.856 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCCc3ccccc3)c(O)n2c1 226822494 WMDFAZPARIIHNA-UHFFFAOYSA-N 323.352 1.681 0 40 DDAB CC(C)NC(=O)CCNC(=O)C[C@@H](CC(=O)O)c1ccccc1 226750080 GJVCFRFMBBWACT-AWEZNQCLSA-N 320.389 1.666 0 40 DDAB Cc1nnc(NC(=O)COc2cccc3c2NC(=O)CC3)s1 227150812 QNJQGCXXAUYHRZ-UHFFFAOYSA-N 318.358 1.749 0 40 DDAB Cc1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)no1 85472601 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CCc1ccc([C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C)o1 97233542 RZINICJGSXHKNK-AWEZNQCLSA-N 320.393 1.641 0 40 DDAB C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1C1CCCC1 96109731 WXWUUJZQLUWLII-ZDUSSCGKSA-N 320.437 1.807 0 40 DDAB CC(C)(C)[C@@H](N[C@H]1CCCOC1)c1nc(-c2nc[nH]n2)no1 96494925 HVFATUCFBRULQO-UWVGGRQHSA-N 306.370 1.711 0 40 DDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1)N1CCCO1 96100513 FUDCTYBKTWIEBH-RBSFLKMASA-N 306.362 1.565 0 40 DDAB CN(C)C[C@H]1CCC2(CN(Cc3ccc4c(c3)OCO4)C2)OC1 248110057 JYKWVQFORLSGHO-OAHLLOKOSA-N 318.417 1.958 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O 242543437 JZXYBVMSFCJJHN-GUTXKFCHSA-N 311.403 1.020 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1 257298093 RKCIJRPGXLGXSG-WBVHZDCISA-N 318.417 1.995 0 40 DDAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cccn1 257214525 CMILATANUVYZOT-HUUCEWRRSA-N 318.421 1.665 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CN(Cc3nccn3C)CCO2)n1 257216956 CWVQILZCUMYNCF-MRXNPFEDSA-N 315.421 1.763 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3ccon3)CCO2)c1 257210666 BVQGAEIZLCBVKF-CQSZACIVSA-N 302.334 1.633 0 40 DDAB CO[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@]12CCCO2 257319580 VTCFIVWCRLPIDN-BBRMVZONSA-N 307.394 1.727 0 40 DDAB O=C(CCOc1ccccc1F)N1C[C@@H](O)[C@H](N2CCCC2)C1 257244579 ILYAWRDOVGNZRK-HUUCEWRRSA-N 322.380 1.262 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@H]2C 585098532 ZEKIRYLCAFPYOS-LBPRGKRZSA-N 315.377 1.735 0 40 DDAB Cc1cc(Br)ccc1C(=O)NCCc1nncn1C 69918450 GSVDRAQSCJRMKA-UHFFFAOYSA-N 323.194 1.859 0 40 DDAB COc1ccc(CCC(=O)NCCc2n[nH]c(=S)n2C)cc1 71847008 GJGPQHFILPSJLM-UHFFFAOYSA-N 320.418 1.778 0 40 DDAB O=C1COc2cc(C(=O)NCCCn3ccnc3)ccc2N1 44868892 OEXOPMHUNAQJSJ-UHFFFAOYSA-N 300.318 1.034 0 40 DDAB COc1ccc(CCC(=O)N(CC(N)=O)C2CCCC2)cc1 47236348 OEYZGFHUESOVDB-UHFFFAOYSA-N 304.390 1.884 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)[C@@H]1CCOC1 1776009206 ATGPRRHQPSRHIJ-SECBINFHSA-N 304.375 1.033 0 40 DDAB CN(Cc1cccs1)C(=O)CN(C)c1ncnc2[nH]cnc12 56114319 KFARTSQCHWXHFO-UHFFFAOYSA-N 316.390 1.509 0 40 DDAB CNS(=O)(=O)CC(=O)N(C)[C@@H](C)c1ccc2ccccc2c1 95409331 BHFYBYWDBIRKGP-LBPRGKRZSA-N 320.414 1.908 0 40 DDAB Cc1ccc(C)c(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 78788504 VFOFBFKZHSSJHG-QZTJIDSGSA-N 316.445 1.904 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 78789169 BHUAOUIXZWFYQA-HUUCEWRRSA-N 310.344 1.636 0 40 DDAB CNC(=O)NCC(=O)N1CCN(CC2CC2)c2ccccc21 90058039 PYNLWUMGPMFUFJ-UHFFFAOYSA-N 302.378 1.179 0 40 DDAB Cc1cc(N2CCN(c3nccc(N(C)C)n3)CC2)nc(C)n1 301705528 BJVYEQJSFJAUSA-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB Cn1ccnc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 84331623 YQOLRCGRENUKKQ-UHFFFAOYSA-N 316.409 1.388 0 40 DDAB O=C(NCc1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 5250990 MVBTWNPUGDZEQM-UHFFFAOYSA-N 313.313 1.108 0 40 DDAB CC[C@H](CN1CCCC1)NC(=O)Cc1ccc2c(c1)OCCO2 12362796 VZTIWZSYIUREJD-OAHLLOKOSA-N 318.417 1.991 0 40 DDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccccc1 13554331 NRKXAVULMYQWDF-FHIRATQRSA-N 320.341 1.072 0 40 DDAB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)NC1=S 14196628 VRMGOXBRQCQCKE-FMIVXFBMSA-N 304.371 1.941 0 40 DDAB COc1cccc(NC(=O)[C@H](NCCO)c2ccccc2)c1 6586332 FIISJMNWWHHGDK-MRXNPFEDSA-N 300.358 1.957 0 40 DDAB Oc1cc(C(F)F)nc(N2CCN(c3ncccn3)CC2)n1 1888857006 MKUVYBDGTMUJGU-UHFFFAOYSA-N 308.292 1.236 0 40 DDAB Cn1cc(Br)c(C(=O)Nc2ccc(C(N)=O)cc2)n1 5943408 OORRLSZVOKCUKK-UHFFFAOYSA-N 323.150 1.534 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CC(Nc2ncccn2)C1 238860816 KPVBFYVFWCSLGF-UHFFFAOYSA-N 308.345 1.149 0 40 DDAB Cn1cnc(C(=O)N2CCn3c(-c4cccs4)cnc3C2)n1 1565555411 HGURUQIRFIJHKB-UHFFFAOYSA-N 314.374 1.396 0 40 DDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1=O 1565542988 SPNPNNHXCITLKW-KDOFPFPSSA-N 324.384 1.498 0 40 DDAB Fc1cccnc1N1C[C@@H]2CN(c3ncncc3F)C[C@H]2C1 2086854459 FERXVDAEIVEPAZ-GHMZBOCLSA-N 303.316 1.722 0 40 DDAB O=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)C1CC1 245174538 YRHWNWWIUSKGIE-ZDUSSCGKSA-N 313.400 1.659 0 40 DDAB C[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(N)=O)C1 4645993 OVVWZZSKFSWVGW-ZETCQYMHSA-N 310.375 1.775 0 40 DDAB C[C@H](NC(=O)C(=O)NC[C@@](C)(O)c1ccco1)c1ccccc1 75156261 AGVJRVQMWJWSIM-YVEFUNNKSA-N 316.357 1.481 0 40 DDAB O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCSCC1 40122315 YRYKBQQTGCVHRD-UHFFFAOYSA-N 317.414 1.740 0 40 DDAB CCCc1noc(CN2CCN(C(=O)N3CCCCC3)CC2)n1 40489795 XSWUPKUYYBYYCD-UHFFFAOYSA-N 321.425 1.746 0 40 DDAB Cc1cccnc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 40511914 UJRHYXIBLUESAI-VIFPVBQESA-N 301.268 1.739 0 40 DDAB C[C@@H](CNC(=O)NCc1ccc(F)cc1)CN1CCN(C)CC1 40554351 WMRREBHMZKLGFA-AWEZNQCLSA-N 322.428 1.508 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 262508 JLDYGKSDQPFRJO-CYBMUJFWSA-N 324.446 1.926 0 40 DDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NC2CCCC2)c2ccccc21 101453490 UVZNDFYUBXLDHA-AWEZNQCLSA-N 315.373 1.269 0 40 DDAB Cc1nnnn1-c1ccc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101715622 BCUHMPMPKYUUFN-AEGPPILISA-N 309.373 1.913 0 40 DDAB CCN(CC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 53052400 BHDKQBSHYSBKKX-ZDUSSCGKSA-N 310.419 1.064 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccco2)cc1 33208011 GXFAVQXWBBKWPN-LLVKDONJSA-N 322.386 1.549 0 40 DDAB COc1ccccc1C1(C(=O)N2CCC(C(N)=O)CC2)CCC1 41501171 YGLZUWUORFLUFA-UHFFFAOYSA-N 316.401 1.841 0 40 DDAB COC(=O)CSc1nnc(CNC(=O)OC(C)(C)C)o1 8844283 VXYVNJWIACADLJ-UHFFFAOYSA-N 303.340 1.359 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H](CNc2cccnn2)C1 78893865 HRWLDHFUDXUBFK-CYBMUJFWSA-N 303.366 1.394 0 40 DDAB C[C@@H]1CN=C(N2CCN(CCOCC(F)(F)F)CC2)S1 79496673 LVZNJLPTXQXRAL-SNVBAGLBSA-N 311.373 1.674 0 40 DDAB COc1ccc(S(=O)(=O)NCCCn2nc(C)cc2C)cc1 2804763 GYERIBGRSVBZEV-UHFFFAOYSA-N 323.418 1.877 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459844 GWTFHIWXWUQPIY-MRXNPFEDSA-N 303.362 1.226 0 40 DDAB CC(C)=CCC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 4028932 AYRGGDSIYYYSRA-CVXDVXMKSA-N 305.374 1.988 0 40 DDAB biogenic C[C@@H](NC(=O)c1cccc[n+]1[O-])c1ccc2c(c1)CCC(=O)N2 53802063 YSMJNUBHRALTLF-LLVKDONJSA-N 311.341 1.696 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1ccccc1OC(F)F 58095032 GTRNSMQGSIBICR-UHFFFAOYSA-N 312.272 1.766 0 40 DDAB CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(C)=O 10153165 ISMSGZPNAMEQII-UHFFFAOYSA-N 303.322 1.414 0 40 DDAB CCN1C(=O)C[C@H](Nc2ccc(OC)c(OCCOC)c2)C1=O 55145647 FQKKBALFJSTCRS-LBPRGKRZSA-N 322.361 1.280 0 40 DDAB Cc1cccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1C 24777314 GJHSCKYUEWHLJE-UHFFFAOYSA-N 310.419 1.411 0 40 DDAB CC(C)c1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)no1 106918717 RDOKDFDEQPEHAQ-BMIGLBTASA-N 321.381 1.003 0 40 DDAB CCC[C@](C)(CNC(=O)[C@H]1CCCO1)NC(=O)[C@@H]1CCCO1 72293540 MSVPJVHDQOCAAX-DVOMOZLQSA-N 312.410 1.136 0 40 DDAB CCNC(=S)N1CCN(Cc2cc(OC)ccc2OC)CC1 25747718 ACUKJJAQKXMCCA-UHFFFAOYSA-N 323.462 1.716 0 40 DDAB CCn1nccc1/C=C/C(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 108133010 MZDNUMUUQROXBZ-LXTZQOSWSA-N 319.405 1.711 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1Cc2cc(Cl)ccc2O1 97197951 PYWYCUMPFVMVIB-OCCSQVGLSA-N 317.776 1.971 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(O)nn1 27496623 OVDAHIWBCPHVCI-ZDUSSCGKSA-N 316.361 1.732 0 40 DDAB CC(C)(C)c1nnnn1CC(=O)NCc1cccc(Cl)c1 58161177 RMSZPDCFXOJGLO-UHFFFAOYSA-N 307.785 1.940 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc(C)nc3onc(C)c23)CC1 48250815 BBJMROWKEZEFGS-UHFFFAOYSA-N 302.334 1.144 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1F)C(=O)N(C)C 58265565 QPQDJRBXCOPKPL-GFCCVEGCSA-N 320.361 1.356 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1ccncc1 48291123 JBCMSYRWEBZKDS-UHFFFAOYSA-N 313.357 1.895 0 40 DDAB CCN(CC)C(=O)[C@H]1C(=O)N[C@@]2(C)C[C@H]1c1ccccc1O2 2137246 IQBBFZAIYZOIHP-DXCKQFNASA-N 302.374 1.883 0 40 DDAB biogenic Cc1cc(C)n(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)n1 44916241 QYXADBRYLOAOJB-MRXNPFEDSA-N 320.437 1.213 0 40 DDAB Cc1cnc(S(=O)(=O)CC(=O)N[C@H](C)CCC(C)C)nc1 44973368 WOWKBBVRKYNROF-GFCCVEGCSA-N 313.423 1.500 0 40 DDAB CC(C)c1nc(CC(=O)N2CCN(C(=O)N(C)C)CC2)cs1 44935258 ODEXDAYPRYKKMI-UHFFFAOYSA-N 324.450 1.635 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)Cn1nnc2ccccc2c1=O 58315213 SZXIRKBHTMMGCH-HNNXBMFYSA-N 324.384 1.284 0 40 DDAB COc1ccc(NCCC(=O)N(C)CC(=O)NC(C)(C)C)cc1 58332294 OPEZOVJCYACZCA-UHFFFAOYSA-N 321.421 1.870 0 40 DDAB CC(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 28204664 SZLNUSGFFCJWHN-NSHDSACASA-N 316.398 1.655 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CS(=O)(=O)C[C@@H]1CCCO1 45360166 WJGHSNULFSBODN-OCCSQVGLSA-N 323.414 1.558 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 72300745 VQEXYIZVWOCXQF-PVXIVEMSSA-N 302.378 1.453 0 40 DDAB CCc1nn2c(=O)cc(CN3C[C@@H](C)OC[C@@H]3C)nc2s1 28984661 NAXXIVJBEVMVKF-VHSXEESVSA-N 308.407 1.323 0 40 DDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 48345242 CRLXGPSGXILKAC-HIFRSBDPSA-N 318.373 1.470 0 40 DDAB C[C@H]1COCCN1C(=O)CCN1C(=O)CSc2ccccc21 46256633 WUDHTBGLRZGKDK-LBPRGKRZSA-N 320.414 1.763 0 40 DDAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc2c(c1)CCC2 12851690 HIOWLINTVHQOPV-OAHLLOKOSA-N 301.390 1.454 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccco2)[nH]n1 60531680 TXQMMRSAAAEGKZ-NSHDSACASA-N 304.350 1.120 0 40 DDAB COC(=O)c1ccc(CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 3487555 PSQWKMNENDGABR-CYBMUJFWSA-N 304.346 1.940 0 40 DDAB Cc1nc(SCC(=O)NC(N)=O)c2c3c(sc2n1)CCC3 3531876 PYADEYMRBQSFCI-UHFFFAOYSA-N 322.415 1.775 0 40 DDAB COc1ccc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13075879 RKFQEXATIKRBQP-UHFFFAOYSA-N 321.354 1.872 0 40 DDAB CSc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 22606734 DKQUIUCAZICAII-SNVBAGLBSA-N 316.448 1.477 0 40 DDAB CCOC(=O)[C@]1(CCC(C)C)C[C@H](CSC(=N)N)OC1=O 4117708 QFKWHOWLLJPQED-YGRLFVJLSA-N 316.423 1.914 0 40 DDAB CCCCCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 5076245 VLPQYZMWAACWLO-UHFFFAOYSA-N 303.366 1.565 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)C1 65492235 YRJXENLKNDYXBS-LQPUYASZSA-N 316.357 1.195 0 40 DDAB CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CC=CCC2)o1 84754182 KFHJBBFCRUFHAE-NSHDSACASA-N 312.391 1.415 0 40 DDAB CN(C(=O)COc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 14197061 HNWGOQDSTGFQMX-AWEZNQCLSA-N 323.414 1.200 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)C[C@H](C)O1 4573906 AFGHERZMNNDYEC-RYUDHWBXSA-N 320.414 1.761 0 40 DDAB COc1ccc(C)cc1NC(=O)COn1nnc2ccccc21 5404159 QBNXBMSGXPQMBC-UHFFFAOYSA-N 312.329 1.816 0 40 DDAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3C2=O)cc1 4601019 RXACAGTWPFPNKS-CYBMUJFWSA-N 317.345 1.450 0 40 DDAB COc1cc2c(cc1NC(=O)CN1CCOCC1)O[C@@H](C)C2 19789414 LWKUFRHTFNHFFC-NSHDSACASA-N 306.362 1.289 0 40 DDAB C[C@@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)n1cccn1 42393026 AVZWLKGEOMMECD-GJZGRUSLSA-N 306.410 1.157 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679692 FVGNYCYCFOGDMG-OAHLLOKOSA-N 321.402 1.356 0 40 DDAB COCc1cc(O)n2ncc(S(=O)(=O)c3ccccc3)c2n1 5701571 NKUBHKAOOJWRDA-UHFFFAOYSA-N 319.342 1.414 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1ccccc1-n1nnnc1C 95474773 XMEQIMNYOLAJLK-CYBMUJFWSA-N 314.393 1.185 0 40 DDAB O=C1c2ccccc2S(=O)(=O)NN1Cc1ccc(F)cc1 9496196 JEDCEJIWFSKNSI-UHFFFAOYSA-N 306.318 1.675 0 40 DDAB O=C1COc2ccc(C3=NN=C(NC4CC4)SC3)cc2N1 9477756 AVVQXJHEBVYALH-UHFFFAOYSA-N 302.359 1.576 0 40 DDAB COC(=O)CSCC(=O)NCc1ccc(OC)c(OC)c1 8038973 BJBHWBBRGIFRAF-UHFFFAOYSA-N 313.375 1.226 0 40 DDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C(C)C 81637845 XAOPWMAGZKASEK-UHFFFAOYSA-N 310.419 1.916 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)[C@H]2CCCCN2C(C)C)c1C 95401012 DJGDMGPLQGPXLP-CQSZACIVSA-N 306.410 1.266 0 40 DDAB CC1CCN(C[C@@H](O)Cn2nnc(-c3cccc(F)c3)n2)CC1 71832859 BCFHAQHTNPURHV-OAHLLOKOSA-N 319.384 1.572 0 40 DDAB CCN(CC)C(=O)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC 69414480 OCYMISBSCXLEJU-KGLIPLIRSA-N 319.405 1.719 0 40 DDAB COc1cc(CNC(=O)c2ccco2)ccc1OCC(N)=O 71814858 JWJLKKYNKYQMSY-UHFFFAOYSA-N 304.302 1.082 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)Nc2ccccn2)CC1 69530375 LLDJOWJCFRTYOG-UHFFFAOYSA-N 311.407 1.518 0 40 DDAB CN1CC(=O)N(C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1=O 69561909 QQXPQZFBFXKOIT-JTQLQIEISA-N 318.251 1.513 0 40 DDAB CCN(CCNC(=O)c1cc(C)nc2c1c(C)nn2C)C1CC1 69534396 XNUGIVHUQUWRSZ-UHFFFAOYSA-N 315.421 1.799 0 40 DDAB CC(C)N(C)CC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91757849 UQVGYWOAKVSZTI-IUODEOHRSA-N 312.360 1.939 0 40 DDAB NS(=O)(=O)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 69951755 AJEPZMCUSMLQIG-LBPRGKRZSA-N 304.799 1.002 0 40 DDAB Cn1ccnc1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 95988895 ROWLIORIUAFNMN-OAHLLOKOSA-N 314.389 1.573 0 40 DDAB COCCC1(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 95979370 BUWBKUAJVJLCDJ-DZGCQCFKSA-N 320.433 1.805 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cccnc1OCC(F)(F)F 24538905 CGHNNEKVEXSPAT-SECBINFHSA-N 304.268 1.932 0 40 DDAB CO[C@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 89568532 ZPKBPVHOKBVOJR-HNNXBMFYSA-N 300.358 1.996 0 40 DDAB Cc1ccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cn1 75117854 BQQNBZRBDHVNID-UHFFFAOYSA-N 300.362 1.695 0 40 DDAB NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCCc1ccccn1 89883637 WZZWCHBXRWSOHD-HUUCEWRRSA-N 303.406 1.955 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(CN2CCCC2=O)cc1 89938507 OYYIBMQXTOWTKX-AWEZNQCLSA-N 315.417 1.585 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 89937862 DNVXKCQWIQIGEB-DOTOQJQBSA-N 316.449 1.456 0 40 DDAB N=c1[nH]nc(CCNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)o1 529113498 CIXIILAINYESMH-JTQLQIEISA-N 324.287 1.241 0 40 DDAB COCCn1nnnc1NC(=O)c1ccc(F)c2occc12 1535386993 AAYMDADXGIUGRV-UHFFFAOYSA-N 305.269 1.457 0 40 DDAB CCc1csc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)n1 408505943 ZEHTXJQMPCQCPB-BBBLOLIVSA-N 314.432 1.947 0 40 DDAB O=C(Cc1n[nH]c2ccccc12)NCCCOC[C@H]1CCCO1 79050051 QEAQKBHJAYXHMF-CYBMUJFWSA-N 317.389 1.807 0 40 DDAB COc1ccc(Cl)cc1CCNC(=O)CCn1cncn1 79002053 APMDMBJJHLHOLJ-UHFFFAOYSA-N 308.769 1.689 0 40 DDAB CC(C)(C)n1ncn(CCn2cc(Br)cn2)c1=O 120317185 RBDDYUVZFMNYDD-UHFFFAOYSA-N 314.187 1.459 0 40 DDAB Cc1nc(N2CCNCC2)ccc1CNC(=O)OC(C)(C)C 72224617 RHDTWMXLKPNUBY-UHFFFAOYSA-N 306.410 1.824 0 40 DDAB Cc1cc(-c2cncnc2)nc([C@H]2CCCN2S(C)(=O)=O)n1 72365416 FNAONHTUJIFVDJ-CYBMUJFWSA-N 319.390 1.339 0 40 DDAB O=C(NCCc1cccs1)c1ccc(N2CCOCC2)nn1 75172741 KFZHMSUTZCWZEU-UHFFFAOYSA-N 318.402 1.347 0 40 DDAB Cc1nc(C(=O)N(C)CCN(C)C)cc(C2CCN(C)CC2)n1 72382890 DGWOMGTVNDXCPA-UHFFFAOYSA-N 319.453 1.228 0 40 DDAB CCCOCC(=O)N1CCN(c2nncc3ccccc23)CC1 73102138 GEUZDXVBEMXXJJ-UHFFFAOYSA-N 314.389 1.705 0 40 DDAB O=C(CN1CCSC1=O)N[C@@H]1CCN(Cc2ccccc2)C1 44869659 NYDZSSZHFFXROW-CQSZACIVSA-N 319.430 1.546 0 40 DDAB C[C@](O)(CN1CCC(Oc2ccc(F)cc2F)CC1)C(=O)O 571570640 GRXAUQIVCFGNFY-HNNXBMFYSA-N 315.316 1.644 0 40 DDAB Cc1ccc(CN(CC(=O)N2CCCC2)S(C)(=O)=O)cc1 223079871 SAMPXRPIIJEMIN-UHFFFAOYSA-N 310.419 1.379 0 40 DDAB CCn1nc(C)c2nn(CC(=O)N[C@@H](C)c3ccncc3)cc21 46087566 DLMFARCCNOLFDK-NSHDSACASA-N 312.377 1.834 0 40 DDAB CN1CCC[C@@H](CNS(=O)(=O)N(C)C)[C@H]1c1cccs1 195530982 RXXFJJSXECQMJH-AAEUAGOBSA-N 317.480 1.527 0 40 DDAB CCOc1cc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)ccn1 225513943 FSWYZBYMSILDLP-GFCCVEGCSA-N 300.362 1.625 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1nc2cc(Cl)ccc2n1C 195578133 UUBAPPZTUAUEDB-GWCFXTLKSA-N 323.780 1.335 0 40 DDAB O=C(NC[C@H](CO)Cc1ccccn1)c1ccc(Cl)cn1 96454751 PZUKVAHOZNZNNN-LLVKDONJSA-N 305.765 1.711 0 40 DDAB CCSCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 97094673 YWHXYOIZAJRHGF-UHFFFAOYSA-N 320.524 1.324 0 40 DDAB O=C(C1CCOCC1)N1C[C@H]2C(=O)N(c3ccccc3)C[C@H]2C1 96053647 PEEYCYLMPBNRHS-GDBMZVCRSA-N 314.385 1.534 0 40 DDAB COCCN1CCN(C(=O)c2ccno2)Cc2ccc(C)nc21 96069226 OBYFAHMOSLAOIN-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB COC[C@]12COC[C@H]1CN(C(=O)c1ccc3ncccc3c1)C2 96108631 UUGAMTBPNHQZFG-CRAIPNDOSA-N 312.369 1.970 0 40 DDAB c1ccc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)nc1 96058650 XVDDMSIRYBUXJN-AWEZNQCLSA-N 310.401 1.976 0 40 DDAB CC[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 333897636 RXWILAWNFPUUKY-QCNOEVLYSA-N 324.343 1.756 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)N3CCCC3)C2)cn1 96227097 BNRMRTOHLZYYLP-SUMWQHHRSA-N 314.389 1.260 0 40 DDAB CCCN1C[C@H](CNC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)CC1=O 333621000 ZLHDIBQSYCIKKU-KCQAQPDRSA-N 323.437 1.454 0 40 DDAB CCS(=O)(=O)N1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 97953573 ORAHFWVYXBYVOC-MXWKQRLJSA-N 301.368 1.022 0 40 DDAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96419643 OALGXHDSXGXWEY-XKQJLSEDSA-N 313.401 1.940 0 40 DDAB c1ncc([C@@H]2COC3(CCN(Cc4csnn4)CC3)C2)cn1 96073023 OJPJFKOYRHSWNQ-LBPRGKRZSA-N 317.418 1.867 0 40 DDAB CC(C)n1cc2cc(NC(=O)CCS(C)(=O)=O)ccc2n1 96425194 VFKOQHDODGMQJD-UHFFFAOYSA-N 309.391 1.990 0 40 DDAB COC(=O)NCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 96431368 RHEQZJPMXXOVHR-UHFFFAOYSA-N 309.753 1.836 0 40 DDAB CCS(=O)(=O)N1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 96245287 GXQFSKMFFPCZGP-CABCVRRESA-N 322.430 1.235 0 40 DDAB Cc1ccc(N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)nn1 247904720 JLAFUMZSSPPQNO-AWEZNQCLSA-N 312.373 1.997 0 40 DDAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1ccn(C)n1)CC2 248158220 WIPLFICGVPTZGI-CQSZACIVSA-N 321.421 1.858 0 40 DDAB COCCN1CC[C@@H]2OCC(=O)N(c3ccc(F)cc3)[C@H]2CC1 257218068 DBTFTLADLDMWCK-HOTGVXAUSA-N 322.380 1.668 0 40 DDAB Cn1nccc1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 257268757 MNACRZXGECSDHS-LLVKDONJSA-N 321.406 1.016 0 40 DDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2CC(=O)N(C)C)n1 257219803 DIFUNKNSNRLVLI-CQSZACIVSA-N 305.426 1.072 0 40 DDAB CCn1cc(CN2CCO[C@H](c3cc(O)nc(C)n3)C2)c(C)n1 257283115 OWUXFAGRNGVHIP-HNNXBMFYSA-N 317.393 1.589 0 40 DDAB COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2c[nH]cn2)cc1 257291615 QHWGLZSLMWXZJZ-QGZVFWFLSA-N 314.389 1.824 0 40 DDAB CN1CCN(S(=O)(=O)c2cn[nH]c2)C[C@H]1c1ccccc1 257306419 SUEYMBFPKSMXBT-AWEZNQCLSA-N 306.391 1.087 0 40 DDAB CN(C(=O)c1ccon1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257327813 XCVIHRMBZQMPGO-ILXRZTDVSA-N 302.330 1.718 0 40 DDAB Cn1cc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cn1 252488788 IYZPPRXXYLWRJJ-UHFFFAOYSA-N 301.346 1.325 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N[C@H](Cn1nccn1)c1ccccc1 253402215 OAYNBQLHSJAFJD-OAHLLOKOSA-N 324.388 1.800 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2cn(C)cn2)n1 257289513 PYYUIRLSPGDPAI-OAHLLOKOSA-N 314.393 1.183 0 40 DDAB C[C@@H]1CCCN(c2cc(C(=O)NCc3nnc(N)o3)ccn2)C1 293301698 MXWQEQATXMURFF-SNVBAGLBSA-N 316.365 1.213 0 40 DDAB COc1nc(CNC(=O)c2cc(C)oc2C)nc(N(C)C)n1 575604167 SGXJBMDYIGSBMK-UHFFFAOYSA-N 305.338 1.086 0 40 DDAB O=C(C1CC(F)(F)C1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093723 AMIODWZBFAAUEL-LBPRGKRZSA-N 314.376 1.337 0 40 DDAB Cc1ncsc1C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 44939878 TVNMJYMJFHMRQR-CYBMUJFWSA-N 310.467 1.453 0 40 DDAB CS(=O)(=O)NCCN1CCN(CC2CC2)c2ccccc21 72696175 UUHSYIMOSYKOHZ-UHFFFAOYSA-N 309.435 1.272 0 40 DDAB C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)NC(N)=O 96839878 USCFMXLCXNKWJV-YUMQZZPRSA-N 301.293 1.522 0 40 DDAB COc1ccc(NC(=O)c2cc(C)oc2C)cc1S(N)(=O)=O 5938743 AWDIUOIANZBQGF-UHFFFAOYSA-N 324.358 1.805 0 40 DDAB Cc1cc2nc([C@H]3CCN(C(=O)c4cc[nH]n4)C3)cc(O)n2n1 12221544 HFBSTXSPUUKTEN-JTQLQIEISA-N 312.333 1.096 0 40 DDAB COC(=O)[C@](NC(C)=O)(Nc1cc(C)ccn1)C(F)(F)F 13144015 FNBVUYYYLITJNE-NSHDSACASA-N 305.256 1.370 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1cccc2c(O)n[nH]c(=O)c12 16430873 HFUILVOGPWDOOM-RKDXNWHRSA-N 311.297 1.084 0 40 DDAB Cc1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)nn1 19238770 IJYMAOOGIVDIHU-LBPRGKRZSA-N 300.362 1.789 0 40 DDAB Cc1cccc(OCCN(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 24378242 PYWCCLQOAPVCTM-CQSZACIVSA-N 319.405 1.623 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)ccc1F 36178871 JKHQWADGUHRPMW-SNVBAGLBSA-N 301.339 1.619 0 40 DDAB COC(=O)c1cccc(OC[C@@H](O)CNCc2ccco2)c1 9863769 QBBULHWBPJODLY-ZDUSSCGKSA-N 305.330 1.596 0 40 DDAB CC(C)CNC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 4890480 VGFDLDPMKFUIHO-UHFFFAOYSA-N 318.373 1.742 0 40 DDAB Fc1cnc(NC2CN(c3ncnc4ccsc34)C2)nc1 1888869737 AZFIEQAJXKZNLY-UHFFFAOYSA-N 302.338 1.921 0 40 DDAB Cn1ncc2c(N[C@@H]3CCN(C4CCOCC4)C3)ncnc21 1889083312 PFHSPNDJTQGCKQ-LLVKDONJSA-N 302.382 1.029 0 40 DDAB CC(=O)N1CCN(Cc2nc(-c3ccccc3C)no2)CC1 16046971 LCWJMHRTEREBRX-UHFFFAOYSA-N 300.362 1.709 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCN(C[C@H](C)O)[C@@H](C)C1 106869276 HYKNQHVRCMNXCF-QWRGUYRKSA-N 300.834 1.269 0 40 DDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccoc1 22687295 XCTVFQUHMIMIOS-MRXNPFEDSA-N 300.358 1.910 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(CCCc3ccccc3)C[C@@H]21 2037981216 ZTXKMJYHGPLTHQ-IRXDYDNUSA-N 302.418 1.798 0 40 DDAB CN1CCCC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1=O 2037985442 JZPQNQVHOFSPBH-QGZVFWFLSA-N 324.421 1.043 0 40 DDAB CCSCC(=O)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223416 KFLCCSCNJAPDJN-STQMWFEESA-N 307.419 1.251 0 40 DDAB O=C(C1CC1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 949270448 YUEPJDCTQBYBJF-UHFFFAOYSA-N 315.417 1.685 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccccc2C)C1 2055772736 VSODSWFPBLIGOD-SFHVURJKSA-N 312.417 1.929 0 40 DDAB CC(C)(C)OC(=O)NCCn1c(O)nc2ccsc2c1=O 575413749 KAZIDHGSDYQNOK-UHFFFAOYSA-N 311.363 1.688 0 40 DDAB Cn1cccc(C(=O)NCC[C@H](CCO)c2cccs2)c1=O 575603289 CCNVZBFZQULBEZ-GFCCVEGCSA-N 320.414 1.733 0 40 DDAB CC(C)(C)C(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 19082183 ZVROEBDKFZLZOM-LBPRGKRZSA-N 315.421 1.671 0 40 DDAB CN(C)c1ccc(NC(=O)C(=O)NCC2(O)CCCC2)cc1 49522380 QREOZZQVRUTIAL-UHFFFAOYSA-N 305.378 1.112 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2cnc3ccccc3n2)C1 54058756 OBPXXJPMTXPINT-NSHDSACASA-N 306.391 1.148 0 40 DDAB CC(=O)NC1CCN(C(=O)COCCOc2ccccc2)CC1 50415885 XSOILHDXHWBFPQ-UHFFFAOYSA-N 320.389 1.209 0 40 DDAB Cc1nc(-c2c[nH]c(C(=O)NCCN3CCOCC3)c2)cs1 40467569 RWLDVXPWLROBPA-UHFFFAOYSA-N 320.418 1.509 0 40 DDAB COc1ccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 20319224 AARGVCIXZMJVHH-VIFPVBQESA-N 303.318 1.618 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCc1csc(Br)c1 40529217 IBCOERUHLJYRJB-YFKPBYRVSA-N 306.185 1.184 0 40 DDAB COc1cc(C(=O)N[C@@H](C)Cn2cncn2)cc(OC)c1C 32937126 SWELIKIXUBKKHT-JTQLQIEISA-N 304.350 1.422 0 40 DDAB CC[C@H](C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O 533699 JXANZFGYLXWYHZ-JTQLQIEISA-N 317.345 1.594 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Cl)OCO2 194964 VUKNLCGGZWYCES-LBPRGKRZSA-N 324.720 1.870 0 40 DDAB CCC(C)(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1 415101 VWHIJJFNBYASKC-UHFFFAOYSA-N 316.409 1.711 0 40 DDAB Cn1cc(CCNC(=O)N2CCc3ccc(O)cc3C2)cn1 46993356 XYENYZUHHORDNQ-UHFFFAOYSA-N 300.362 1.436 0 40 DDAB CC(C)n1nccc1NC(=O)CN1C(=O)COc2ccccc21 22288593 QLEMAGMFNBIHKG-UHFFFAOYSA-N 314.345 1.828 0 40 DDAB FC(F)(F)c1nnc2ccc(I)nn12 1072980 MTVWNRLGOGJHKE-UHFFFAOYSA-N 314.008 1.748 0 40 DDAB CN1C(=O)C(C(=O)c2cc3c(s2)CCCC3)C(=O)N(C)C1=O 103501986 LDYNHLNXLYJEIA-UHFFFAOYSA-N 320.370 1.476 0 40 DDAB O=C(NCCNc1ncccn1)C1(c2ccc(F)cc2)CC1 47104771 SVWCNGJXRIVUIR-UHFFFAOYSA-N 300.337 1.876 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53863705 KZXRMMZKLRKWTH-AWEZNQCLSA-N 309.391 1.384 0 40 DDAB COc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)cc1 4280026 JUFOAWPHYZTOMH-KGLIPLIRSA-N 322.361 1.246 0 40 DDAB CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 23111258 YMPHNONKJCCTNC-VIFPVBQESA-N 311.179 1.938 0 40 DDAB Cc1oc(C(=O)O)cc1CNC(=O)[C@H](N)Cc1ccccc1 6473099 AMBHIHYUILDKME-CYBMUJFWSA-N 302.330 1.472 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccnc1 6625469 LYYKFDGFFZRRQM-LBPRGKRZSA-N 319.386 1.065 0 40 DDAB O=CN1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 7504763 KKHRAEKPIVUHSO-UHFFFAOYSA-N 301.390 1.591 0 40 DDAB CCOC(=O)[C@@H]1C(S)=N[C@@]2(N3CCOCC3)CCCC[C@H]12 57452412 ZZFRVHIHHRPALT-TYNCELHUSA-N 312.435 1.726 0 40 DDAB Cn1cc(CCNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cn1 42729332 NJSXVAFBXGLLKU-CQSZACIVSA-N 305.765 1.736 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C)Cn2ccnc2)cc1OC 47645369 ZMBXVSUXOXYPQG-GFCCVEGCSA-N 318.377 1.788 0 40 DDAB COc1ccc(CNC(=O)c2cccc(C[S@@](C)=O)c2)cn1 54730467 MDCBFMHGNDDFRP-QFIPXVFZSA-N 318.398 1.899 0 40 DDAB Cc1cc(NC(=O)CNc2cc(S(C)(=O)=O)ccc2C)on1 24252842 NYTAYBKJAGNZAM-UHFFFAOYSA-N 323.374 1.746 0 40 DDAB O=C(NC1CCC(O)CC1)N[C@@H]1CCCN(c2ncccn2)C1 42962073 POLPYCCVBAGRCP-ROKHWSDSSA-N 319.409 1.048 0 40 DDAB O=C(NCCN1CCOCC1)N[C@H]1CCc2cc(F)ccc21 55087218 SGPKDTOMEFXQQK-HNNXBMFYSA-N 307.369 1.444 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1Cl 43146788 FZBQAZFNEIUAFU-SECBINFHSA-N 302.783 1.896 0 40 DDAB CC[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C)on1 12554815 QBUIAUCACVRJJZ-ZETCQYMHSA-N 308.367 1.447 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3c(C)noc3C)C[C@H]2C)CC1 107141884 HEERQQDDKWXLRG-PXAZEXFGSA-N 320.437 1.276 0 40 DDAB Cc1nnc(NC(=O)N2CCN(Cc3cscn3)CC2)s1 56503133 RCZUHKFYYDTTRZ-UHFFFAOYSA-N 324.435 1.653 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1=O 109052575 TUMRXQIVSOIQJG-NSHDSACASA-N 303.387 1.862 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1C(N)=O 26755104 LKDDDQSJEYWNDA-NSHDSACASA-N 319.386 1.528 0 40 DDAB O[C@@H](CNCc1nnnn1Cc1ccccc1)c1ccccc1 48262304 CDIDSHVILDUFSU-INIZCTEOSA-N 309.373 1.545 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)NCc1cc[nH]n1 48231819 JORKCDHVULDKBG-UHFFFAOYSA-N 300.366 1.404 0 40 DDAB CCN(CC)CCn1cc(NC(=O)Cn2cc(C)cn2)cn1 58283467 AYYANAXWIPTRLQ-UHFFFAOYSA-N 304.398 1.369 0 40 DDAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cn2ccnc2)cc1 44934276 NZLXQVDNFXNGOM-LBPRGKRZSA-N 300.362 1.589 0 40 DDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1ccccc1F 44908690 RURODCWDTDRSFR-JTQLQIEISA-N 317.386 1.125 0 40 DDAB CN(CCCNC(=O)CCNc1ncccn1)c1ccccc1 36393536 VAZHLUFZHVJTPG-UHFFFAOYSA-N 313.405 1.921 0 40 DDAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc2c1oc(=O)n2C 179298118 WKUVLCOAMWSAFL-VIFPVBQESA-N 314.345 1.664 0 40 DDAB C[C@H](CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 29189676 IRRUTIZEBDMSJQ-HIFRSBDPSA-N 324.446 1.720 0 40 DDAB O=C(O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 3355937 QXNDNTYCVWRFGZ-UHFFFAOYSA-N 313.253 1.338 0 40 DDAB CCCCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CCC 29504768 BBEFZPJKRZJPIO-UHFFFAOYSA-N 318.377 1.415 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccc(O)nc1)c1ccccc1 12876859 LCNZLPXDMXFOTL-ZDUSSCGKSA-N 300.314 1.821 0 40 DDAB CNCC1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1 63159880 JXAJNFAXMPKGNI-UHFFFAOYSA-N 300.399 1.754 0 40 DDAB COc1cc(C(=O)N[C@@H](C)Cn2ccnc2)cc2c1OCCO2 65402582 HTKPPXBGYTULAC-NSHDSACASA-N 317.345 1.481 0 40 DDAB CS(=O)(=O)CC1(CNC(=O)NCc2cccs2)CC1 83984557 MWOFLISNZZITSN-UHFFFAOYSA-N 302.421 1.372 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1CC1=CC[C@H]2C[C@@H]1C2(C)C 67673677 CFWJHXVUPXUKHZ-FZKCQIBNSA-N 305.466 1.905 0 40 DDAB CO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 71896817 SOYNKBJJXLXKMF-HOCLYGCPSA-N 306.406 1.081 0 40 DDAB COc1coc(C(=O)N2CCN(c3ccccc3)CC2)cc1=O 16850735 UPIYKOPDZXVIHY-UHFFFAOYSA-N 314.341 1.611 0 40 DDAB NC(=O)c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)nn1 91456651 JWWRDFNZVVNCAB-UHFFFAOYSA-N 315.352 1.796 0 40 DDAB CCOC(=O)c1ccc(OC[C@H](O)CNC[C@H]2CCCO2)cc1 8326938 DVOVPCLGJKKSTR-GDBMZVCRSA-N 323.389 1.372 0 40 DDAB C[C@H](C(=O)NCc1ccco1)N1CCC[C@@H]1Cn1cncn1 69661272 GKISKESXXVAANF-CHWSQXEVSA-N 303.366 1.040 0 40 DDAB CC[C@@H](NCc1cc(C)on1)c1cccc(S(N)(=O)=O)c1 97033719 UDPPCCNWATZZGS-CQSZACIVSA-N 309.391 1.871 0 40 DDAB CC1(C)COC(=O)[C@@H]1OC(=O)c1cnn(-c2ccccc2)n1 97001708 MMKQMIMSHZECAM-LBPRGKRZSA-N 301.302 1.376 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N1CCO[C@@H](C)C1)C2 72254818 NJNRVTSICFVLDS-WCQYABFASA-N 306.362 1.429 0 40 DDAB COCCS(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 72273666 IARRNLKOPHZYAY-OAHLLOKOSA-N 306.387 1.737 0 40 DDAB Cc1cccc([C@H]2CCCN2C(=O)Cn2cc(CO)nn2)c1C 84213381 LMUFWZOEKWCZMT-MRXNPFEDSA-N 314.389 1.751 0 40 DDAB O=C(CN1CC[C@@H](CNc2ccccn2)C1)NCc1ccco1 97200513 IKWHZCHPPAJHQX-AWEZNQCLSA-N 314.389 1.725 0 40 DDAB CCN(CC)C(=O)C[S@](=O)Cc1cn2c(C)cccc2n1 95440993 NSYXYPAIMCPIII-NRFANRHFSA-N 307.419 1.760 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)c1ccccc1Cl 95417187 HDTLAJGVMDXNSV-ZIAGYGMSSA-N 310.781 1.501 0 40 DDAB CN(C(=O)c1ccc[nH]1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 97971413 KUCUVWIHSGKVGE-AWEZNQCLSA-N 311.341 1.414 0 40 DDAB Cc1noc(CCNC(=O)N[C@](C)(CO)C2CCCCC2)n1 88547941 UUGFDRGLOXBXOZ-OAHLLOKOSA-N 310.398 1.551 0 40 DDAB CCOc1cccc(CNC(=O)CN2CCC[C@@H]2C(=O)O)c1 95971725 QMNGTGODNBLPLQ-CQSZACIVSA-N 306.362 1.251 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125330 XBQQEELXRQLFMB-NSHDSACASA-N 312.329 1.650 0 40 DDAB O=c1[nH]c(Cn2cnc3ccccc3c2=O)nc2ccccc12 26106462 MYXVNFUMHMCDOU-UHFFFAOYSA-N 304.309 1.681 0 40 DDAB Cn1cc(CN2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cn1 306129627 IIOCTURXICWQCJ-CVEARBPZSA-N 320.400 1.908 0 40 DDAB COCc1nc(C)cc(N2CCC[C@@H](c3nc(N)n[nH]3)C2)n1 521398541 NBFPVUDSSXLCTI-SNVBAGLBSA-N 303.370 1.016 0 40 DDAB CO[C@H]1CCC[C@H]1OC(=O)c1ccc(CS(C)(=O)=O)cc1 78985300 CAGBITIESDYZRM-UONOGXRCSA-N 312.387 1.956 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H]1CN(C)C(=O)OCc1ccccc1 79412746 KONBXNRWYUKTKY-ZFWWWQNUSA-N 319.405 1.593 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ncn1 525132069 LLMZDRGWVJDRRS-UTUOFQBUSA-N 316.361 1.287 0 40 DDAB CO[C@H]1CCC[C@H]1OC(=O)CCc1c(C)nc2ncnn2c1C 78985622 UXAKAXVYQCLJDY-UONOGXRCSA-N 318.377 1.784 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)CC 217408709 RPHHIWMCYHELRB-VIFPVBQESA-N 300.380 1.893 0 40 DDAB O=C(COc1ccn(-c2ccccc2)n1)NCc1ccccn1 226853423 USQJELNZIKWWCF-UHFFFAOYSA-N 308.341 1.963 0 40 DDAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1N1CCCC1=O 44950067 HPDXDKWRLKDIGP-UHFFFAOYSA-N 308.403 1.906 0 40 DDAB O=C(OC1CN(c2nc3ccccc3s2)C1)C1=COCCO1 75166602 DENJDOKLIOWBSX-UHFFFAOYSA-N 318.354 1.916 0 40 DDAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)[nH]1 223564691 XCGINBHUFOCBSH-GJZGRUSLSA-N 316.430 1.991 0 40 DDAB COc1ccccc1-n1cnnc1[S@](=O)C[C@@H]1CCCCO1 86308707 SAWDAIODNVAOCY-YTEVENLXSA-N 321.402 1.953 0 40 DDAB COc1cccc([C@H](CNC(=O)NC2CCOCC2)OC)c1 225558657 HSDMOQXUMUUYGK-HNNXBMFYSA-N 308.378 1.861 0 40 DDAB CCC[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223130650 KVIQSENLXKPONX-GXTWGEPZSA-N 312.435 1.924 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@@H](C)C(F)(F)F 195574173 POXJWNIKICOQQG-VWYCJHECSA-N 316.389 1.977 0 40 DDAB Cn1nc(CN2CCOCC2)c2c1CN(Cc1ccsc1)C2 96259142 SDLOIOKUAHUYPB-UHFFFAOYSA-N 318.446 1.830 0 40 DDAB O=C1N(Cc2cccnc2)CC[C@@]12CCCN(c1ncccn1)C2 96224326 DAWYMLZNTQNYDW-GOSISDBHSA-N 323.400 1.891 0 40 DDAB Cc1noc(C)c1CN1C[C@@H](NC(=O)N(C)C)[C@H]2OCCC[C@H]21 96185841 DWPQWPUJSKXLII-RBSFLKMASA-N 322.409 1.294 0 40 DDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)NC(C)C)COC3 96112594 CBIHQCIMWDREGN-NSHDSACASA-N 318.377 1.824 0 40 DDAB biogenic,in-vitro CCOC(=O)c1nn(C(C)C)c(N)c1I 95094641 PLOOPIPREAQJRV-UHFFFAOYSA-N 323.134 1.828 0 40 DDAB Cc1nn(C)c2sc(C(=O)NC[C@H](O)COCC3CC3)cc12 96450034 IEUSHTDQIGQUKQ-NSHDSACASA-N 323.418 1.461 0 40 DDAB CC(C)N(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C1CC1 96444012 GYKIBZPTMNXIPW-ZBFHGGJFSA-N 308.470 1.737 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(Cc4ccco4)C3)C2=O)cn1 96050508 GDLNXGWJUREPPG-MRXNPFEDSA-N 300.362 1.642 0 40 DDAB CS(=O)(=O)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 96224597 XBSPOEPQBMEQRT-CYBMUJFWSA-N 314.432 1.527 0 40 DDAB CC(=O)c1ccc(F)cc1NC(=O)c1c(C)c(C)nn(C)c1=O 97372671 UDEYEGDWLCAKDH-UHFFFAOYSA-N 317.320 1.991 0 40 DDAB C[C@H](CNS(=O)(=O)c1cnn(C)c1)c1nc2ccccc2o1 96446667 VUPOGJACUJUZFC-SNVBAGLBSA-N 320.374 1.643 0 40 DDAB COc1cccc2c1CCN(C(=O)NC[C@@H](C)[S@@](C)=O)C2 96501300 GCEBLOKPHVQHHS-FIKIJFGZSA-N 310.419 1.530 0 40 DDAB Cc1cccn2c(CN3CCC[C@@H](NS(C)(=O)=O)C3)cnc12 96489803 GTLFIXNBSWYFPI-CYBMUJFWSA-N 322.434 1.156 0 40 DDAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(CCN1CCOCC1)C1CCCC1 253370526 RYTWIQFMBDGHDE-BRWVUGGUSA-N 322.449 1.657 0 40 DDAB C[C@@]12C[C@H](CNC(=O)C3CCOCC3)N[C@@H]1CCCC[C@@H]2O 257336155 YNKVJZUMNKILJT-PNBKFKSVSA-N 310.438 1.201 0 40 DDAB CCCCNc1cc(N2CCCC3(C2)OCCO3)nc(N)n1 252511280 ZWJZILDZDQHTAB-UHFFFAOYSA-N 307.398 1.614 0 40 DDAB Cc1nnsc1C(=O)N[C@H](Cn1nccn1)c1ccccc1 253400345 LEHWQIKICFTLHE-GFCCVEGCSA-N 314.374 1.609 0 40 DDAB Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2c2ccn[nH]2)n1 257313705 UTSLWXBLEPPKQY-OAHLLOKOSA-N 317.393 1.603 0 40 DDAB Cc1cc(F)cc(C(=O)O)c1NS(=O)(=O)c1cnn(C)c1 62639965 OKINGJDMWVNEAU-UHFFFAOYSA-N 313.310 1.367 0 40 DDAB CCCn1c(=O)n(Cc2nnc3n2CCOC3)c2ccccc21 280696797 GIYOPEBJQUCIFZ-UHFFFAOYSA-N 313.361 1.383 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCN1CC=CCC1 280364289 YJVJGPAFFHACHJ-BBRMVZONSA-N 302.374 1.593 0 40 DDAB O[C@H](COCc1ccco1)CN1CCN(c2ccccc2)CC1 25514131 QEKKCGAUPPNWGZ-KRWDZBQOSA-N 316.401 1.979 0 40 DDAB Cn1cccc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1=O 96098859 SEHNZVUBDCNAGC-UHFFFAOYSA-N 323.356 1.074 0 40 DDAB O=S(=O)(Cc1cc(F)cc(F)c1)N1Cc2cncnc2C1 96366492 WPAVMPJVWQGBCE-UHFFFAOYSA-N 311.313 1.600 0 40 DDAB CCCN1CCCN(C(=O)N[C@@H]2CCCc3nn(C)cc32)CC1 585139578 CIZDHSLSTRUCRA-OAHLLOKOSA-N 319.453 1.925 0 40 DDAB O=C(Cc1cnc[nH]1)N1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 585275451 CIPFCRVYVVYLRX-CJNGLKHVSA-N 317.364 1.543 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)Cc2ccncc2)C1 585278149 QWXKSUWVFDZVBF-QGZVFWFLSA-N 319.405 1.158 0 40 DDAB Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C)C2)CC1 1775995522 BMAUWGOALFMXAK-MRXNPFEDSA-N 317.433 1.959 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)n1 72388628 ODCLVBLHMGNVDB-ZDUSSCGKSA-N 314.393 1.860 0 40 DDAB COc1ccc(O[C@H](C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1 55143637 PGMXLBQNHKRTNP-GFCCVEGCSA-N 322.405 1.836 0 40 DDAB CC(C)C(=O)N[C@@H]1CCCc2nc(N3CCOCC3)ncc21 12220089 OEJKQSHGWWHUCP-CYBMUJFWSA-N 304.394 1.463 0 40 DDAB O=C(O)c1sccc1S(=O)(=O)NCc1cccs1 15424104 ZQCOOKGBHWVBRB-UHFFFAOYSA-N 303.386 1.986 0 40 DDAB C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)N1CCOCC1 19657362 UMBUELCJLPDARQ-CQSZACIVSA-N 314.389 1.323 0 40 DDAB O=S(=O)(NCCCn1ccnc1)c1ccc2nc(O)oc2c1 19936448 IEMZZTKEZISJHS-UHFFFAOYSA-N 322.346 1.099 0 40 DDAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)O)CC(=O)N3)cc1 19961309 ATKDCCVKKIFJMX-VIFPVBQESA-N 314.301 1.332 0 40 DDAB C[C@H]1NC(=O)N(C)[C@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@@H]12 5356220 TYOLRTYWMXRCLK-ZHRRPSSPSA-N 314.389 1.709 0 40 DDAB COc1ccc(C[C@](C)(O)CNC(=O)NC2CCOCC2)cc1 225553126 HFVAUSHKJUQDHD-KRWDZBQOSA-N 322.405 1.467 0 40 DDAB CCN(CC)C(=O)CSc1nc2sccc2c(=O)n1C 20865327 FWOVOGSOKMHDDS-UHFFFAOYSA-N 311.432 1.956 0 40 DDAB CCn1ncc(Br)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 2776939 JORZEFPZTNUJEM-IUCAKERBSA-N 316.199 1.915 0 40 DDAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccno1 240067811 SCRYRCCGTPOFTC-GFCCVEGCSA-N 307.375 1.788 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@]1(C(=O)O)CCOC1 85855099 CIAVENRRIKOMNV-GFCCVEGCSA-N 319.766 1.170 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)C12CC2 2060990616 JEEMXIZVKNXKNM-DGPLXJDWSA-N 322.401 1.565 0 40 DDAB CCN1CCO[C@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 1074398013 QNSZMQWOCQGXPV-HOTGVXAUSA-N 306.381 1.690 0 40 DDAB CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 4280397 ZQMQNMBAKOFIIJ-UHFFFAOYSA-N 307.375 1.100 0 40 DDAB CCc1cccc2sc(NC(=O)CN3C(=O)CCC3=O)nc12 4325827 SIEUFAMLTNSJKM-UHFFFAOYSA-N 317.370 1.946 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(F)c1 9822592 BAIBZGAXUKHSKQ-AWEZNQCLSA-N 320.345 1.431 0 40 DDAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 30315526 UUYLITMZMYNFSK-SNVBAGLBSA-N 321.764 1.410 0 40 DDAB C[C@H]1CCCN(CCNS(=O)(=O)c2ncn(C)c2Cl)C1 40528143 JMUFBINFGCZIAQ-JTQLQIEISA-N 320.846 1.084 0 40 DDAB O=C(COC1CCCC1)N[C@@H]1CCCN(c2ncccn2)C1 40553774 JCYKRUOBDFWVKK-CYBMUJFWSA-N 304.394 1.521 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 32827202 KZHZMZNTFGTWET-GHMZBOCLSA-N 314.407 1.838 0 40 DDAB COc1ccc(C2=NO[C@@H](C(=O)NCCCN(C)C)C2)cc1 20617038 XVCCLQNXXKYRGQ-OAHLLOKOSA-N 305.378 1.256 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2ccnc2)cc1 32925389 VGISQFFNAKMYEE-NSHDSACASA-N 323.374 1.037 0 40 DDAB CCNC(=O)CSc1nnc(CCC2CCCCC2)n1N 32946477 WRPZJELXVZZWGZ-UHFFFAOYSA-N 311.455 1.733 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 52997636 QPXHCZKJQUNAMM-IUCAKERBSA-N 301.330 1.658 0 40 DDAB COc1ccc(CC(=O)NCCCCN2CCOCC2)cc1 41527942 WLDKWYAHNAJLTA-UHFFFAOYSA-N 306.406 1.466 0 40 DDAB Nn1ccc2c(cnc3nc(-c4ccccc4Cl)nn32)c1=O 12390296 SFFFZKBQVVDDTA-UHFFFAOYSA-N 312.720 1.473 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)no1 78881228 GERWQXLKFBYAES-MNOVXSKESA-N 321.381 1.086 0 40 DDAB C[C@@H](c1ccc(N2Cc3ccccc3C2=O)cc1)[C@@H](O)C(N)=O 1576442 SJPGXMIEMGQHAY-MEDUHNTESA-N 310.353 1.797 0 40 DDAB NC(=O)Cn1cc(NC(=O)CSc2ccc(Cl)cc2)cn1 53413415 WDUJKMXSTFHNCM-UHFFFAOYSA-N 324.793 1.753 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccncc1 103820770 QMUYNJBYZHOGKF-STQMWFEESA-N 301.346 1.585 0 40 DDAB COc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1OC 4122198 PVWGIRZJHKHAKG-UHFFFAOYSA-N 314.341 1.959 0 40 DDAB CCCNC(=O)NC(=O)CSc1nc(CCC)cc(=O)[nH]1 6024432 RCOBBBCFQWOKIG-UHFFFAOYSA-N 312.395 1.050 0 40 DDAB CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@@H](O)CN1 42364329 BFAKAEJRTSYHLV-BDAKNGLRSA-N 319.224 1.192 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc2c(c1)OCO2 47575868 ZBAYLDZEGSDMDY-NSHDSACASA-N 302.334 1.500 0 40 DDAB O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1nncs1 97199951 RZLPGPWDSWVABQ-MRVPVSSYSA-N 311.392 1.007 0 40 DDAB CC(C)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 23625075 QZKFCZNKAFGYBV-UHFFFAOYSA-N 314.389 1.223 0 40 DDAB Cn1c(=O)n(CC(=O)OCC(=O)c2ccccc2)c2ccccc21 24116504 BYBFZAGOQOZGOK-UHFFFAOYSA-N 324.336 1.766 0 40 DDAB C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)CC(=O)O 97045147 AHYIEUGLLHPPJZ-LBPRGKRZSA-N 301.346 1.772 0 40 DDAB CN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)CC1 27969634 VNIOBRMPJYMSRT-UHFFFAOYSA-N 318.808 1.972 0 40 DDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccs1 1441665 OITYULKGRPWBQY-GFCCVEGCSA-N 323.399 1.779 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccn(COc2ccccc2)n1 27971756 SWKMTMLVLPFXPW-AWEZNQCLSA-N 301.346 1.828 0 40 DDAB CC[C@@H](C(=O)Nc1nc2[nH]c(C)cc(=O)n2n1)c1ccccc1 101809732 VGCIRUNFFPAXGR-GFCCVEGCSA-N 311.345 1.858 0 40 DDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccco1 27354326 QXRSZXKKOHMGMQ-UHFFFAOYSA-N 310.375 1.438 0 40 DDAB O=C(NCCCc1n[nH]c(=O)[nH]1)c1scnc1C1CCCC1 97376780 YXCASNGDIFNEKI-UHFFFAOYSA-N 321.406 1.575 0 40 DDAB Cc1cnn(-c2ccc(C(N)=O)cc2NCc2ccnn2C)c1 97375157 PIUFVTDXYOAMID-UHFFFAOYSA-N 310.361 1.625 0 40 DDAB Cc1ccoc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 72533852 FCMPBVVSWWWYJO-AWEZNQCLSA-N 320.389 1.832 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1ccco1 10218518 RPOCLUAELXHMJV-UHFFFAOYSA-N 316.313 1.097 0 40 DDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cn2ccccc2n1 58282129 HRLFSUDZQCLLDS-ZDUSSCGKSA-N 311.345 1.962 0 40 DDAB CC[C@](C)(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)OC 58210260 MEUBADIUMKSAGC-INIZCTEOSA-N 301.346 1.944 0 40 DDAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 27794815 LEOWBNOZDFTSRB-YPMHNXCESA-N 315.366 1.286 0 40 DDAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)[C@@H]1CCCO1 27888622 OFWSSEGEFUVJMW-FZMZJTMJSA-N 303.362 1.024 0 40 DDAB CCCNC(=O)CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 58377926 SXDNVTXWRXSTKV-CYBMUJFWSA-N 313.442 1.749 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 58356356 LJZUGNPMKJXPAL-GFCCVEGCSA-N 305.330 1.626 0 40 DDAB CS(=O)(=O)Nc1cc(C(=O)Nc2cn[nH]c2)ccc1Cl 58341348 KKTMPCMDMSWTIE-UHFFFAOYSA-N 314.754 1.687 0 40 DDAB O=C(NCCc1cc(F)cc2c1OCOC2)c1cnsn1 58420805 LOAIACVPQPQJJV-UHFFFAOYSA-N 309.322 1.516 0 40 DDAB COCCn1nc(C)c(CNC(=O)/C=C/c2cccnc2)c1C 58415452 BJUZLTFQIRAFSX-VOTSOKGWSA-N 314.389 1.871 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100648961 RZSODNLUFWZQTQ-WNBCSMFUSA-N 314.341 1.781 0 40 DDAB COC(=O)[C@@]12CN=N[C@]1(C(=O)OC)[C@H]1[C@@H]3[C@H]4[C@H]5C=C[C@H]4[C@@H]1[C@H]5[C@@H]32 104287311 MIVOYEFKTASFLI-WFZGXNISSA-N 314.341 1.077 0 40 DDAB COC(=O)c1ccc(Cn2nnn(-c3cccs3)c2=O)cc1 10811850 JKQFHAMXPWYWQR-UHFFFAOYSA-N 316.342 1.325 0 40 DDAB O=C(Cc1noc2ccccc12)NCC(=O)NC1CCCCC1 58712069 QCIFEQOFUUIZIS-UHFFFAOYSA-N 315.373 1.935 0 40 DDAB Cc1nc(C(=O)N2C[C@@H](C)OC[C@H]2C)nn1-c1ccc(F)cc1 45448614 CJJDJALPESMFDR-GHMZBOCLSA-N 318.352 1.964 0 40 DDAB CCN(Cc1ccc(OC)cc1)C(=O)CC[C@@H]1NC(=O)NC1=O 45455827 IMQFOHYFTKSDGX-ZDUSSCGKSA-N 319.361 1.032 0 40 DDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccoc2)CC1 45782257 SIXQEGAHKDTSCZ-ZDUSSCGKSA-N 305.378 1.048 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)N2CCOC[C@@H]2C)ccn1 46100327 MUBVNKCRVQFZTJ-LBPRGKRZSA-N 315.377 1.506 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1C 72287318 HUGBWMWEXDGKPM-UHFFFAOYSA-N 324.344 1.435 0 40 DDAB COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cn1 6252830 ZYYBASCFTNGUMS-UHFFFAOYSA-N 310.313 1.439 0 40 DDAB Cn1cc(S(=O)(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)cn1 65587721 NWDFXWMQTJTTIH-UHFFFAOYSA-N 320.330 1.400 0 40 DDAB COc1ccc(NC(=O)c2cccc(F)c2)cc1S(N)(=O)=O 6580356 UQOKRWGAPJELIN-UHFFFAOYSA-N 324.333 1.734 0 40 DDAB CNS(=O)(=O)c1cccc(CNCc2cccc(O)c2)c1 66988934 LKOZKWAOOBYOPE-UHFFFAOYSA-N 306.387 1.590 0 40 DDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1 5871570 RICGOOWJPWXFFB-UHFFFAOYSA-N 322.320 1.860 0 40 DDAB COC[C@@H](C)NC(=O)CSc1nnc2[nH]c3ccccc3n12 6908570 MFTUYXZVCCNMQP-SECBINFHSA-N 319.390 1.454 0 40 DDAB Cn1cc(N2CC[C@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)cn1 90017570 NCHBPQZEKUAUSR-STQMWFEESA-N 306.410 1.461 0 40 DDAB O=C(NCc1nnc2n1CCC2)N[C@H]1CCC[C@H](C2CC2)C1 80574678 SSEIFTOJMBNPMK-STQMWFEESA-N 303.410 1.992 0 40 DDAB CC(C)c1nc2n(n1)C[C@@H](Nc1ncnc3c1cnn3C)CC2 70006899 KMVYBIBFIWHFRU-JTQLQIEISA-N 312.381 1.505 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2nccc(C)n2)c1 17031934 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Cc1cc(C)c(CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)c(C)c1 97235110 GIOLPDCLULBGLG-CZUORRHYSA-N 318.417 1.504 0 40 DDAB Cc1cc(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)no1 95424368 CFOPTHSCCSRBEZ-CYBMUJFWSA-N 317.393 1.881 0 40 DDAB CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 95438401 XYBYRBYOODXNTB-RBSFLKMASA-N 315.373 1.743 0 40 DDAB CCc1nn(C)c(CC)c1CN[C@@H]1CCN(C(=O)C(C)C)C1 95440131 VQTDNQVAMWXROC-CYBMUJFWSA-N 306.454 1.891 0 40 DDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccncc2F)c1 95441785 CEOBOLCFAOMLCQ-UHFFFAOYSA-N 309.322 1.845 0 40 DDAB CCOc1ccc(CNC(=O)[C@@H]2CN(CC)CCO2)cc1C 73560143 WMPHTJBZZWHTOE-INIZCTEOSA-N 306.406 1.731 0 40 DDAB Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1S(=O)(=O)N(C)C 98023698 QCVVLECHWLKQDZ-UHFFFAOYSA-N 323.378 1.612 0 40 DDAB CC(C)(C)[C@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@@H]1O 95996633 RCHMUNURRFYHBU-RYUDHWBXSA-N 321.425 1.163 0 40 DDAB CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(CC(C)C)c1 95980586 FLOIMCUCLXHPQP-CYBMUJFWSA-N 307.398 1.672 0 40 DDAB CC1(C)C[C@H](NCc2cccc(OCC(N)=O)c2)C(C)(C)O1 95968653 UTVICZRCUBJMTE-AWEZNQCLSA-N 306.406 1.986 0 40 DDAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)C[C@@H]2CCOC2)C1 95965870 SMCXOCYBJNVDMH-LXTVHRRPSA-N 318.483 1.309 0 40 DDAB CN(C)CCn1ccc(NC(=O)NCCc2ccccn2)n1 89319386 PCYRHNILNBICTL-UHFFFAOYSA-N 302.382 1.204 0 40 DDAB CCOC(=O)CN(C(=O)C1=NN(C)C(=O)CC1)C1CCCCC1 75142276 XYMUHTAWQUEMIP-UHFFFAOYSA-N 323.393 1.319 0 40 DDAB COC(=O)C1(N(C)C(=O)[C@H](C)S(=O)(=O)C(C)C)CCCC1 89890949 QRIKGOVGYGEXHS-NSHDSACASA-N 319.423 1.142 0 40 DDAB O=C(CCc1nc(C2CC2)no1)N1CCC[C@H](n2cncn2)C1 76018792 HOASVIDEQNLPCP-LBPRGKRZSA-N 316.365 1.335 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 76048038 RWZMRIHIIOVZRH-AWEZNQCLSA-N 312.377 1.573 0 40 DDAB Cc1noc(C)c1CCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76053567 OBJAOSQJSSWUPS-WBMJQRKESA-N 321.421 1.403 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)C1CC(F)(F)C1)C2 306130297 JBQNRTRIHJJDBF-NSHDSACASA-N 302.365 1.601 0 40 DDAB C[C@@H](O)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 22858736 DZJBWPMAQOFXPB-KBAYOESNSA-N 320.433 1.142 0 40 DDAB Cn1nnnc1SCC(=O)c1cc2c(cc1Cl)NC(=O)C2 32094665 HHUDFTQGWFSGEQ-UHFFFAOYSA-N 323.765 1.333 0 40 DDAB CC(C)C(=O)N1CCC[C@H]1Cn1nnc2ccccc2c1=O 72324162 HXHBQBOYJKKBRB-LBPRGKRZSA-N 300.362 1.439 0 40 DDAB CCc1nc(CNC(=O)N(C)C2CCOCC2)ccc1C(=O)O 558691007 DUMQYVWVZAPYOF-UHFFFAOYSA-N 321.377 1.663 0 40 DDAB C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1[C@@H](O)CC2=O 39095169 FTEHGIIZAGEILF-NSSDSGNWSA-N 320.429 1.821 0 40 DDAB O=C(CCSc1ccc2nncn2n1)Nc1ccccn1 72402656 BBVPXUAAGWAAOT-UHFFFAOYSA-N 300.347 1.640 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cn1 85431246 RUHKNDPAWDQVOW-UHFFFAOYSA-N 317.345 1.348 0 40 DDAB OCCN1CCN(Cc2ccc(Br)cc2F)CC1 42205955 YPWOXQUYDANFMU-UHFFFAOYSA-N 317.202 1.698 0 40 DDAB O=C(O)[C@@H](N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12 40165668 IUYNKRBKKSUGHN-ZANVPECISA-N 308.359 1.070 0 40 DDAB Cc1csc2c(=O)n(CC(=O)N(C)CC(F)(F)F)cnc12 195416812 LKESNWFQTBCVTJ-UHFFFAOYSA-N 319.308 1.787 0 40 DDAB COCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 49659623 RAWZFLMJZDIZGL-UHFFFAOYSA-N 312.391 1.231 0 40 DDAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N(C)C)cc1 96194000 PQNAZJUNUBKFAA-CYBMUJFWSA-N 305.403 1.576 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)c1cccc(-n2ccnn2)c1 95452602 XJYWAZUZOHKJHZ-INIZCTEOSA-N 322.368 1.601 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96110666 SFWGHWSITSTJQY-BETUJISGSA-N 300.387 1.747 0 40 DDAB C[C@](Br)([C@@H](O)c1cccc(N)c1)S(C)(=O)=O 96521246 HHFWHOCCXKZBSF-VHSXEESVSA-N 308.197 1.458 0 40 DDAB CC(C)COC[C@@H]1CN(Cc2cnn(C)c2)Cc2ncn(C)c21 96060232 FAICHIJADYAOHG-HNNXBMFYSA-N 317.437 1.926 0 40 DDAB COc1nc(C)ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 330300211 IIBGODBZRCUSBO-JSGCOSHPSA-N 318.373 1.609 0 40 DDAB Cc1nccc([C@H]2C[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@H]3O2)n1 96046173 OPOSGWCFAZLIMA-NILFDRSVSA-N 323.418 1.429 0 40 DDAB CNc1nc(C)cc(NCCc2ccc(S(N)(=O)=O)cc2)n1 98086748 MUPPSYGRUNWCCI-UHFFFAOYSA-N 321.406 1.129 0 40 DDAB Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCNC2)c1 96499801 VWTJMEQUUMUBPY-SECBINFHSA-N 319.224 1.398 0 40 DDAB O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1cccs1 96069084 LIHPJFHCKHAECA-VXGBXAGGSA-N 324.402 1.138 0 40 DDAB O=C([C@H]1COC[C@H]2CN(CC3CCCC3)C[C@H]21)N1CCOCC1 96040725 RWYZIUMIDGELAJ-ZACQAIPSSA-N 322.449 1.230 0 40 DDAB CCn1ncc(S(=O)(=O)N2CC[C@H](c3ccn[nH]3)C2)c1C 257200177 ACGZIQDIEXHDTI-NSHDSACASA-N 309.395 1.113 0 40 DDAB CC(C)(C)c1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]n1 257275189 NOHIGNDGFRYQQX-BBRMVZONSA-N 307.394 1.463 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccc(F)c(Cl)c1 257330294 XNSKIXDPNXLDSA-JHJVBQTASA-N 301.745 1.873 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@H]1O 257265765 MADZLRRGSZQTSL-JFIYKMOQSA-N 303.402 1.762 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)C[C@@]12CCCO2 257315305 VASVIGPMBLHNHD-HOCLYGCPSA-N 301.346 1.583 0 40 DDAB COc1ccccc1CC(=O)N[C@@H]1CCCC[C@@H](OC)[C@@H]1O 257315896 VDEMGOPMANBQII-FRFSOERESA-N 307.390 1.672 0 40 DDAB CC(=O)N1CCC(C(=O)N2CC[C@H]3NCCCC[C@@H]3C2)CC1 257216819 CWFAFIIJZIGRSX-HZPDHXFCSA-N 307.438 1.236 0 40 DDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cnco2)n1 257319654 VTMLORPBCVJWAN-AWEZNQCLSA-N 314.345 1.683 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2c[nH]nc2C)n1 257205124 AXTKPPWLXPLFEO-MRXNPFEDSA-N 314.393 1.481 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ccn[nH]2)n1 257313993 UUYHENYQMVNKHZ-CYBMUJFWSA-N 301.350 1.029 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CCc1ccccc1 257214907 CNYABMPHWYEOEF-SFHVURJKSA-N 324.384 1.412 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cnco2)C1 257311086 UHWVEORAFJHDTP-LLVKDONJSA-N 301.350 1.601 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 257250128 JLDHHVYZCXMOAM-CYBMUJFWSA-N 324.388 1.856 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 257222531 DTQJPZMBDNIYOD-CQSZACIVSA-N 318.421 1.827 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1CC1(O)CCOCC1 257238192 HJYIWAPMRZQVTE-HNNXBMFYSA-N 306.406 1.183 0 40 DDAB CN1CCc2cc([C@H](O)CNC(=O)NC3CCCC3)ccc21 96363038 YEUSQPBDWRTGNX-MRXNPFEDSA-N 303.406 1.954 0 40 DDAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)o1 585110794 GXZYUVPYKCBXHX-AWEZNQCLSA-N 316.405 1.946 0 40 DDAB NC(=O)c1coc(CNC(=O)c2cccc(N3CCCC3)c2)n1 585113377 WDCWYHJTLCGERM-UHFFFAOYSA-N 314.345 1.304 0 40 DDAB CCc1cnc(OC2CCN(Cc3nnc(C)n3C)CC2)nc1 1776008482 HQYHSWCEIZXFMQ-UHFFFAOYSA-N 316.409 1.519 0 40 DDAB O=C(NCc1ccsc1)N1CCC[C@@H]1CN1CCOCC1 73629426 DHRVSDPINIYNJH-CQSZACIVSA-N 309.435 1.754 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc[nH]2)CC1 74144113 NTOUTECTZKCSIH-CQSZACIVSA-N 318.421 1.174 0 40 DDAB N[C@@H]1C[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C12CCC2 1580167072 ZKDWOHRYENCZFL-ZJUUUORDSA-N 306.328 1.732 0 40 DDAB CC(C)COc1cncc(N2CCN(Cc3ccon3)CC2)n1 86186393 BBNXJUSCDBMGFZ-UHFFFAOYSA-N 317.393 1.822 0 40 DDAB CCOC(=O)CNC(=O)N[C@H](Cc1ccccc1)C(=O)OCC 5829006 WUEQUSDORFTKOV-CYBMUJFWSA-N 322.361 1.023 0 40 DDAB Cc1cccc(N2CCC3(CC2)C(=O)N=C(S)NC3=O)c1 5931237 YMVXPEZMDURAKL-UHFFFAOYSA-N 303.387 1.524 0 40 DDAB C1CN([C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3N2CCOCC2)CCO1 15319995 AISSRCQTANXUHV-CAOSSQGBSA-N 312.479 1.446 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 205751059 JKHQIHJEIOLIPO-IZZDOVSWSA-N 323.326 1.610 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)N(C)[C@H](CO)C(C)(C)C 155514005 YWEZOIWNNRIWFR-CQSZACIVSA-N 306.406 1.590 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)NC3CCCC3)C2)nn1 225440941 SYGOHKRRONNTKR-LBPRGKRZSA-N 306.366 1.591 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cncn3C)CC[C@H]21 643914935 ZNHMXZUFZLWWKS-GOEBONIOSA-N 320.437 1.270 0 40 DDAB CCNC(=O)CNC(=O)CNc1ccc(Br)cc1 7115746 PQGWAXMHUOFZFT-UHFFFAOYSA-N 314.183 1.113 0 40 DDAB CSc1nc(C)cc(N2CCN(c3nc(C)ns3)CC2)n1 1888853611 SBGZGMNAGBHIMC-UHFFFAOYSA-N 322.463 1.993 0 40 DDAB O=C1CN(C2CN(c3nc4ccc(F)cc4s3)C2)CCN1 1889101241 YWESITQFFVNRFP-UHFFFAOYSA-N 306.366 1.056 0 40 DDAB Cc1cccc(OC[C@@H](O)CNCC(C)(C)N2CCOCC2)c1 22038984 ZHVTXAYUVKUDAK-INIZCTEOSA-N 322.449 1.435 0 40 DDAB O=C(Cc1cccnc1)N[C@@H](Cn1nccn1)c1ccccc1 245060700 PWVLNYFXFPGFJA-INIZCTEOSA-N 307.357 1.773 0 40 DDAB Cc1nocc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984865 QACMFRNLZDFQEF-MRXNPFEDSA-N 321.377 1.083 0 40 DDAB O=C(N1CCOC[C@@]2(C[C@H](Cn3ccnc3)CO2)C1)C1(F)CC1 1565545535 IDXSEIAKDZMEGK-UKRRQHHQSA-N 323.368 1.019 0 40 DDAB OC1(c2ccc(Cl)cc2)CCN(CCn2ccnn2)CC1 2298036506 ICIRIKPDADMGKJ-UHFFFAOYSA-N 306.797 1.915 0 40 DDAB CCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1OCC 13644134 ZWRVIGZFTXELCU-JYRVWZFOSA-N 317.370 1.496 0 40 DDAB CCOCc1ccccc1CNC(=O)c1ccn(C)c(=O)c1 30508068 KDVAYQWPLBJADC-UHFFFAOYSA-N 300.358 1.852 0 40 DDAB O=c1cc(CO)oc(CN2CCN(c3ccccc3)CC2)c1O 121477 HVNQMALYISKPMZ-UHFFFAOYSA-N 316.357 1.160 0 40 DDAB O=C(C1CCN(Cc2nc(C3CC3)no2)CC1)N1CCCC1 40497105 QOOKTHGSROSGIJ-UHFFFAOYSA-N 304.394 1.781 0 40 DDAB Cc1c(C(=O)NS(C)(=O)=O)cnn1-c1ccc(Cl)cc1 40544010 OPMFYJGVEPEYSI-UHFFFAOYSA-N 313.766 1.524 0 40 DDAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1 51357215 VPZVBOLDZFCXCI-UHFFFAOYSA-N 319.342 1.897 0 40 DDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2F)C1 20588565 SZCNOBBVBRXTPZ-SNVBAGLBSA-N 318.352 1.648 0 40 DDAB CC(C)N(CC(N)=O)CC(=O)NCC(C)(C)c1ccccc1 51966314 HZLOSQDNVIXHFS-UHFFFAOYSA-N 305.422 1.276 0 40 DDAB O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCCO1 32747697 RAQIODXLCGRFJL-ZDUSSCGKSA-N 301.346 1.964 0 40 DDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2)C1 32771434 KJLFTAHMDIAEJS-VIFPVBQESA-N 323.823 1.053 0 40 DDAB O=c1c2ccsc2ncn1C[C@H](O)COCc1ccco1 32907825 SOBCXAOPCXQBEZ-JTQLQIEISA-N 306.343 1.629 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccnc1 102953211 NFQZTIUSPFQEEN-OKILXGFUSA-N 315.373 1.263 0 40 DDAB CCCCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 8878095 VZBGSBJPRFRIMW-AWEZNQCLSA-N 301.346 1.643 0 40 DDAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 2787923 MGDRLTINGDRFJE-UHFFFAOYSA-N 309.329 1.987 0 40 DDAB Cc1cc([C@](C)(O)CNc2ccc3nnc(C)n3n2)c(C)o1 78308347 OYKXONNGGNGGTK-OAHLLOKOSA-N 301.350 1.962 0 40 DDAB Cc1nsc(N2CCCN(c3nc(C4CC4)no3)CC2)n1 78557728 JFGXPPHRUOOMCA-UHFFFAOYSA-N 306.395 1.824 0 40 DDAB COc1ccc(C2(O)CCN(CC(=O)NC3CC3)CC2)cc1 4967660 CPQOGSKSHOXDQK-UHFFFAOYSA-N 304.390 1.257 0 40 DDAB COc1ccnc(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 42848088 QTMHPRFZQBKEDJ-VIFPVBQESA-N 308.363 1.306 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC1 8218535 DYAVPKNHOASMFJ-QMMMGPOBSA-N 302.783 1.285 0 40 DDAB COc1ccnc(N2CCC(C(=O)NCc3ccco3)CC2)n1 24476596 JHSICMWUFZWHLE-UHFFFAOYSA-N 316.361 1.611 0 40 DDAB CCOC(=O)c1cc(C)n(CC(=O)Nc2ccn(C)n2)c1C 24476835 IDXPAFZOUZGBDB-UHFFFAOYSA-N 304.350 1.654 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1cn[nH]c1 43138508 NELQKRAXRNZDOH-UHFFFAOYSA-N 307.398 1.566 0 40 DDAB O=C(NCCn1ccnc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 43311064 ZVKHUXVAANHVRC-HUUCEWRRSA-N 322.409 1.253 0 40 DDAB COCCn1cnnc1SCC(=O)N1[C@H](C)CCC[C@H]1C 43464086 DZRHXHCREYHODK-VXGBXAGGSA-N 312.439 1.806 0 40 DDAB O[C@H](CNC[C@@H]1CCCN1c1cccnn1)c1ccc(F)cc1 106906382 BKQWMDUSCIYHPQ-JKSUJKDBSA-N 316.380 1.908 0 40 DDAB C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)NC(N)=O 12539040 OUROAJMWNXNDGW-MFKMUULPSA-N 307.350 1.240 0 40 DDAB CCOC(=O)[C@](O)(NC(=O)c1ccc(F)cc1)C(F)(F)F 1650010 OWTCYKSRRFBIHO-LLVKDONJSA-N 309.215 1.370 0 40 DDAB COC(=O)C1CCN(Cc2nc(N)c3ccccc3n2)CC1 12534178 SSWNVNCBTYXBRY-UHFFFAOYSA-N 300.362 1.597 0 40 DDAB CN(C)c1ccc(NC(=O)NC2(CCO)CCOCC2)cn1 97020251 CMZNXHWZFQLRAU-UHFFFAOYSA-N 308.382 1.201 0 40 DDAB Cc1nc(CCNS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cs1 44327591 QZRGBPYSFXZAKI-PHIMTYICSA-N 317.480 1.806 0 40 DDAB COC(=O)c1ccccc1NC(=O)CSc1nccn1C 3244655 DNZLFYUAPSPAGP-UHFFFAOYSA-N 305.359 1.938 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 12697020 XRVZYSDJQDEQME-SJCJKPOMSA-N 323.437 1.895 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(-n2cncn2)nc1 48133159 ALHOGYYPJKURDJ-UHFFFAOYSA-N 312.337 1.060 0 40 DDAB O=C1CN(C(=O)CN2CCC[C@@H]2CC2CCCCC2)CCN1 57871861 XXHGWDUFSGYUPE-OAHLLOKOSA-N 307.438 1.380 0 40 DDAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cn1 48251172 KDWIKKTZVZQOSD-CQSZACIVSA-N 324.344 1.499 0 40 DDAB COc1cccc([C@H]2CCCN2Cc2cc(=O)[nH]c(=O)[nH]2)c1 44894478 BUBFWVPNVOZYAH-CQSZACIVSA-N 301.346 1.409 0 40 DDAB Cc1ccc2cccc(OCc3cc(=O)n(C)c(=O)n3C)c2n1 44892839 ANYRXPWRAHOOHA-UHFFFAOYSA-N 311.341 1.520 0 40 DDAB CN1C[C@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CCC1=O 72294251 FZNHCZNUOJKPPH-CYBMUJFWSA-N 313.361 1.819 0 40 DDAB CCCS(=O)(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 58290726 ADWYUQVTUITCDI-ZDUSSCGKSA-N 312.435 1.851 0 40 DDAB CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(C)C 58291513 CAHLCHUSKPRBHL-VSGCLNPGSA-N 318.373 1.503 0 40 DDAB C[C@H](Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(N)=O 72286875 BTADGHUQUYJKHG-ZETCQYMHSA-N 311.267 1.843 0 40 DDAB CCC[C@@H]1SCCN1C(=O)c1ccc(S(=O)(=O)NC)o1 72288333 WUKPVEPNSOFVAG-JTQLQIEISA-N 318.420 1.503 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)COC1CCCC1)C2 72279528 QYESHDDVGVHJLW-UHFFFAOYSA-N 304.394 1.387 0 40 DDAB Cc1csc(CNC(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 44967484 RFRXHPROHYJQJQ-ZDUSSCGKSA-N 324.450 1.458 0 40 DDAB O=C(Cn1cncn1)NC[C@@H]1CCCCN1Cc1ccccc1 58341530 YOJXENLPDBLHGY-INIZCTEOSA-N 313.405 1.449 0 40 DDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@@H]2CCCN2C)c1 58325986 QOAKHHLDCRUTMF-ZFWWWQNUSA-N 304.390 1.867 0 40 DDAB O=C(CC[C@@H]1CCCO1)N[C@@H]1CCN(Cc2ccccc2)C1=O 58420297 ZOICPBGDMGISTO-JKSUJKDBSA-N 316.401 1.863 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC1CCN(C(=O)C2CC2)CC1 58405329 SIPOIVYWENZBLJ-UHFFFAOYSA-N 319.453 1.285 0 40 DDAB C[C@H](Sc1nncn1C1CC1)c1nc(N)nc(N(C)C)n1 28190161 FPOSPNLOBQILGA-ZETCQYMHSA-N 306.399 1.300 0 40 DDAB COc1ncccc1CN1CC[C@@H]2[C@@H]1CCN2CCN(C)C 107198933 RHBSKZYEZKBUBK-CVEARBPZSA-N 304.438 1.300 0 40 DDAB O=C(Cn1ccnc1)Nc1ccccc1S(=O)(=O)C(F)F 10809900 VBEMATDTRDSAFU-UHFFFAOYSA-N 315.301 1.518 0 40 DDAB CCn1nnc2cc(C(=O)NCc3ccc(OC)nc3)ccc21 10991088 TXAMGRPEKGBXRO-UHFFFAOYSA-N 311.345 1.785 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)COn1nnc2ccccc21 28775278 YNSJCPKMPVNLMJ-CQSZACIVSA-N 324.384 1.997 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[C@H]1CCCO1 28841690 RCMIFLZJLBXOMY-GFCCVEGCSA-N 315.373 1.841 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 65404075 XRMHAGSJJPYAGS-CQSZACIVSA-N 303.406 1.416 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1C 48368532 BSGFBFLJTSJDPJ-UONOGXRCSA-N 304.390 1.571 0 40 DDAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cnccn2)cc1 11476976 KLBTZOHWZIQDPZ-SNVBAGLBSA-N 313.313 1.863 0 40 DDAB Cc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3442811 UHRSFXOWWBLZQS-UHFFFAOYSA-N 318.354 1.951 0 40 DDAB COc1ccc(C(=O)NCC(=O)NCc2ccc(F)cc2)cc1 8943516 BITSZQRLONPIKC-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)O)c1 3884746 HPDWZCQLNRBHLK-UHFFFAOYSA-N 323.326 1.900 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 49036618 XDRGJASMBCDPOI-GVDDXCRBSA-N 300.424 1.009 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OCC(=O)O)c1 71284267 BQPUNRRKPJPRAT-RYUDHWBXSA-N 307.302 1.445 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1cccc(N2CCCC2=O)c1 97197512 CKKWORAADQTIKX-CQSZACIVSA-N 324.384 1.755 0 40 DDAB O=C(NCCN1CCCCCC1)C1CCN(C(=O)C2CC2)CC1 65414324 LRNLQOGMLWMOSU-UHFFFAOYSA-N 321.465 1.627 0 40 DDAB CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC1 65402541 YPRVRXDPFWBVTA-CYBMUJFWSA-N 301.390 1.250 0 40 DDAB Cc1cnc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cn1 6350580 YWJPRWCCOQUGSZ-SNVBAGLBSA-N 310.313 1.940 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Sc2n[nH]c(=O)n2C2CC2)on1 14142466 UVYJBODQVDLTCD-ZETCQYMHSA-N 309.351 1.322 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 75433428 SJCSCXMIGWNQSL-QMMMGPOBSA-N 300.405 1.677 0 40 DDAB O=C(Nc1ccc(F)cn1)c1cnc([C@@H]2CCCNC2)cn1 72365685 NITDGYHRMUNKRR-SNVBAGLBSA-N 301.325 1.730 0 40 DDAB O=C(COc1ccc(Cl)cc1Cl)NN1CCOCC1 5670681 YOHKSLPZFHKCOI-UHFFFAOYSA-N 305.161 1.736 0 40 DDAB Cc1ccn2c(=O)cc(COC(=O)c3ccc(CO)cc3)nc2c1 15350067 QVPNLYFVYSRYQB-UHFFFAOYSA-N 324.336 1.852 0 40 DDAB CCOc1cc2c(cc1CN1CC[C@H](CO)[C@@H](O)C1)CCC2 72133562 YXLGZNKBAXPPBL-WBVHZDCISA-N 305.418 1.749 0 40 DDAB O=C(NCCN1CCOCC1)N1CC[C@@H](Cc2ccccc2)C1 80563065 SOZITEYTKHSMRK-KRWDZBQOSA-N 317.433 1.593 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)NC(C)C)cc1C 7795570 MFNMTKFERJUVCJ-OAHLLOKOSA-N 319.449 1.937 0 40 DDAB Cc1nn(CC(=O)N[C@H](CC(C)C)C(=O)O)c(C)c1Cl 96402426 LVEUFJRCCLLDPA-SNVBAGLBSA-N 301.774 1.769 0 40 DDAB O=C1Cc2cc(S(=O)(=O)NCc3ccncc3)ccc2N1 8395051 MDPXFUONPXRIIV-UHFFFAOYSA-N 303.343 1.055 0 40 DDAB O=C(Nc1nc(-c2ccccc2)cs1)c1c[nH]c(=O)[nH]c1=O 8343224 RZNXWWCKEJNRBZ-UHFFFAOYSA-N 314.326 1.439 0 40 DDAB CN(CCOc1cccc(Cl)c1)C[C@@H](O)Cn1cccn1 69453379 TVQDVDGPGOVIHF-CQSZACIVSA-N 309.797 1.908 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 69652285 KZPUGSBQLGWOFG-AWEZNQCLSA-N 316.405 1.799 0 40 DDAB Cc1ncsc1C(=O)NC[C@H](O)COCc1ccccc1 71856852 GYCCCJKZHVISGD-ZDUSSCGKSA-N 306.387 1.759 0 40 DDAB CC(=O)Nc1ccc(CCNC(=O)NC[C@@H]2CCOC2)cc1 71803174 LQCQQDTYPLTOGI-AWEZNQCLSA-N 305.378 1.523 0 40 DDAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCNC1=O 8631696 IZLAICUJRYPYDR-UHFFFAOYSA-N 323.658 1.072 0 40 DDAB COC[C@@](C)(NC(=O)c1ccc(OC2CCCC2)cc1)C(N)=O 69814394 CFODZRNCYHOMBF-QGZVFWFLSA-N 320.389 1.628 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cccc3cccnc23)CC1 69815255 ZVOHARAOHIUPJR-OAHLLOKOSA-N 313.401 1.764 0 40 DDAB COc1ccc(OCCC(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 71888285 BVZWPYHNENPBPN-UHFFFAOYSA-N 318.333 1.233 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(-c3ccsc3)no1)CC2 69952229 KGIOLAQOAONLPP-NSHDSACASA-N 316.390 1.803 0 40 DDAB COCCCCNC(=O)c1cccc(CN2CCN(C)CC2)c1 72301539 LNPOBGHZQCHINI-UHFFFAOYSA-N 319.449 1.590 0 40 DDAB CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCn2cccc2)C1 84440327 AZQNPZDHTDWWCU-LSDHHAIUSA-N 320.437 1.871 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H](C3OCCO3)C2)C1 84686225 DFKJLPXXNXAPEF-ZNMIVQPWSA-N 310.438 1.576 0 40 DDAB CN(C)CCN1Cc2cccc(NC(=O)c3cnns3)c2C1 95435072 WTXMMWRFUKZONJ-UHFFFAOYSA-N 317.418 1.668 0 40 DDAB CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(C)sc1C 95442776 YVAONEBJUJIKND-RYUDHWBXSA-N 324.450 1.864 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NCc1cccc(C(=O)O)c1 95463535 ISYCPDSPKQASTF-UHFFFAOYSA-N 317.345 1.430 0 40 DDAB Cc1ccc2ncc(CNC[C@@H]3COC4(CCOCC4)O3)n2c1 95991131 LQPQVCWDVMIKRQ-OAHLLOKOSA-N 317.389 1.654 0 40 DDAB CCc1nc(CC(=O)NCc2nnc(C)n2C2CC2)cs1 95996776 QGIZMSJINSEHGL-UHFFFAOYSA-N 305.407 1.799 0 40 DDAB 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IPUAWZALSAWPAK-UHFFFAOYSA-N 301.346 1.790 0 40 DDAB CC(C)CCNC(=O)CSc1nnc(C(F)(F)F)n1N 6605879 RPRQVFAKKFXDSE-UHFFFAOYSA-N 311.333 1.265 0 40 DDAB C=CC(=O)NCCNC(=O)c1ccc(Br)c(F)c1 72277529 GYQSDWUZRLUOGQ-UHFFFAOYSA-N 315.142 1.620 0 40 DDAB COC(=O)CCCn1nc(C)n(-c2cccc(OC)c2)c1=O 6925415 HFTMTVBZUKFCBL-UHFFFAOYSA-N 305.334 1.304 0 40 DDAB C[C@@H](CNC(=O)NCCc1ccccc1)N1CCOC[C@H]1C 72281188 QMVMWMKEYMLSMM-LSDHHAIUSA-N 305.422 1.638 0 40 DDAB O=C1N[C@@H](c2ccc(OC(F)F)c(Cl)c2)N2CCOC[C@H]12 93884178 FYVDQSBRUJDXID-MWLCHTKSSA-N 318.707 1.771 0 40 DDAB CCc1nc([C@H]2CCCN(C(=O)c3ccnc(C)n3)C2)no1 67883436 SXHXMQGNCZEXNN-NSHDSACASA-N 301.350 1.750 0 40 DDAB CC(C)(C)NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842512 ZVIPXOHZLCXHOM-UHFFFAOYSA-N 310.375 1.281 0 40 DDAB COc1ccc(OC)c(NC(=O)CN(C)CC(=O)NC(C)C)c1 7923205 CBIBDOBKGHTFSQ-UHFFFAOYSA-N 323.393 1.099 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)Oc2cccc(OC)c2)cc1 16726751 RCFKTMVQMHVDCD-UHFFFAOYSA-N 321.354 1.823 0 40 DDAB CCOc1ncccc1NC(=O)N1CCC(n2cncn2)CC1 69351657 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C[C@H](O)CN1CCN(C(=O)C[C@H](C)c2ccccc2F)CC1 69980795 IWSGYRMVTMWBRR-KBPBESRZSA-N 308.397 1.844 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(F)ccc2C)CC1 71881916 JXPSJFLDZMNZNS-HNNXBMFYSA-N 324.396 1.289 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCCC(=O)O)CC1=O 96595484 YFGUMSXYIFLHBH-JSGCOSHPSA-N 318.373 1.577 0 40 DDAB CCOC(=O)c1cnn(-c2ccc(S(C)(=O)=O)cc2)c1N 95973620 XPTDVWJMMTUIQY-UHFFFAOYSA-N 309.347 1.035 0 40 DDAB CC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 95953200 RLXINSGLPNEODH-AWEZNQCLSA-N 314.382 1.256 0 40 DDAB CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 89598383 FDUWSBLHMFPYGJ-KWQFWETISA-N 309.840 1.731 0 40 DDAB Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 75105870 OCGCOBMHWMHJTF-UHFFFAOYSA-N 312.782 1.444 0 40 DDAB CCNC(=O)NC(=O)CNc1ccc(Br)c(F)c1 76061872 ICMBFFBTESIUSE-UHFFFAOYSA-N 318.146 1.846 0 40 DDAB CNC(=O)N1CCN(C(=O)CCOCc2ccccc2)CC1 76094613 GAYQIQMAKGHUCE-UHFFFAOYSA-N 305.378 1.077 0 40 DDAB Cn1cncc1CN1CCO[C@@H]2[C@@H](Cn3ccnc3)CC[C@H]21 306144857 ZQONSCPOQSCEHM-FVQBIDKESA-N 301.394 1.296 0 40 DDAB COc1cc(NC(=O)c2ccn(CC(F)(F)F)n2)nn1C 1548453246 VGMPHPZOMZIHFU-UHFFFAOYSA-N 303.244 1.440 0 40 DDAB CN1C[C@H](CNC(=O)NC2CCOCC2)[C@@H](c2ccccc2)C1 1551216118 OATJYBXYWWTXSN-DOTOQJQBSA-N 317.433 1.810 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 74936331 LOROYIOEPLVUEW-NSHDSACASA-N 324.402 1.462 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@H](O)C1CCCCC1 70636782 XZAWYBMWZNXVQS-ZDUSSCGKSA-N 310.419 1.422 0 40 DDAB Cc1cc(C)n(Cn2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)n2)n1 32648283 QMCXXMNAODMPMB-OKILXGFUSA-N 317.393 1.452 0 40 DDAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccno1 38589018 ZNILULFKXVDLQB-UHFFFAOYSA-N 318.352 1.366 0 40 DDAB CC(C)OCCCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 217402354 QBARFSBLFXNDEX-UHFFFAOYSA-N 319.354 1.617 0 40 DDAB COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222911415 WWKXSKPDRJMDAH-ZDUSSCGKSA-N 324.396 1.961 0 40 DDAB Cc1nnc(CNC(=O)c2ccnc(O[C@@H]3CCSC3)c2)o1 225723058 AFUPDFHDYWAMOV-LLVKDONJSA-N 320.374 1.587 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)NCCN2CCOCC2)cc1 44903991 KUOVIHWWOUIGST-ZDUSSCGKSA-N 324.446 1.624 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@H](Oc3ccc(C)nn3)C2)cn1 225464872 AYRGRMDHQWNIBR-CYBMUJFWSA-N 313.361 1.567 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCCS(C)(=O)=O)C1 96415356 IQYHAWZTTRRGPR-ZIAGYGMSSA-N 324.446 1.927 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]2C1 96107949 IKSKPZNWYZPSAJ-SMDDNHRTSA-N 312.772 1.882 0 40 DDAB C[C@@H](C(=O)N(C)CCc1nccs1)n1nnnc1C(C)(C)C 332281227 GBMVWHGJJKUHAW-JTQLQIEISA-N 322.438 1.689 0 40 DDAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cccc2c1OCO2 337978885 MDTRYEOQYSCIJR-SECBINFHSA-N 315.347 1.289 0 40 DDAB CN(Cc1ccnc(N(C)C)n1)Cc1nnc(C2CC2)n1C 96492678 JUKYATYLAODTFH-UHFFFAOYSA-N 301.398 1.181 0 40 DDAB CCS(=O)(=O)N1Cc2cnn(C)c2[C@H](COCC2CC2)C1 96060126 HPJCICCMDFKHMF-ZDUSSCGKSA-N 313.423 1.096 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ccc(C)nc1)[C@@H]2C 96109537 LTYSWKSQXNSXPN-GFCCVEGCSA-N 300.362 1.950 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)c1ccsc1 96467503 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Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)ccc1Cl 257282934 OVYNPIJDTOQPPT-UMVBOHGHSA-N 313.781 1.418 0 40 DDAB O=C(c1ccccn1)N1CCC(c2cc(O)n3nccc3n2)CC1 257278712 ODILWRRHLYYYAE-UHFFFAOYSA-N 323.356 1.850 0 40 DDAB O=C1CCCN1CC[C@@H]1CCOC12CN(CC1CCOCC1)C2 253616761 RBEIIYIGPKAKDT-MRXNPFEDSA-N 322.449 1.516 0 40 DDAB Cc1c(C(=O)N2CC[C@](O)(CN(C)C)C2)oc2ccccc12 257258777 KVMJQKNKUNDOLY-KRWDZBQOSA-N 302.374 1.880 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3cccnn3)cn2)CCCCO1 257200233 ACNLJMPCPPJTQG-INIZCTEOSA-N 313.361 1.612 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccnn2C(C)C)C[C@@]12CCCO2 257201865 AJJCYQHLMRYAKD-HOCLYGCPSA-N 307.394 1.874 0 40 DDAB CO[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1ccc(C)s1 96104679 LRUXYINACPFYOF-JTQLQIEISA-N 310.375 1.009 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CN3CCCC3=O)CO2)C1 575404236 ALVGAEVCIAODCI-RDBSUJKOSA-N 306.406 1.272 0 40 DDAB O=C(CN1CC[C@H](Cc2ccccc2)[C@@H](O)C1)N1CCCC1 585278965 JPAVDXVTTVNSIU-SJORKVTESA-N 302.418 1.534 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@H](C)C2 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COCCN1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 48427039 ITELVORZDLHBKW-UHFFFAOYSA-N 320.389 1.252 0 40 DDAB COc1ccccc1CC(=O)N1CC(OC[C@H]2CCOC2)C1 1775986088 UAWJZUKOQBCSDD-ZDUSSCGKSA-N 305.374 1.502 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1nccnc1N 72253166 ZIBTYNAZJMPSNZ-NSHDSACASA-N 300.366 1.386 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282676 ZASSMRWAJYULOJ-ZDUSSCGKSA-N 301.394 1.709 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ncccn3n2)c1 73840489 YPAPRAGUUMLWEA-UHFFFAOYSA-N 303.347 1.542 0 40 DDAB CS(=O)(=O)Cc1ccc(NC(=O)NCc2ccncc2)cc1 58461611 OPHBIIDZRGWDLF-UHFFFAOYSA-N 319.386 1.948 0 40 DDAB Cn1nc(-c2ccncc2)cc1C(=O)N[C@]12CCC[C@@H]1NCC2 1579989466 SXHNPROKWIPILR-RDJZCZTQSA-N 311.389 1.497 0 40 DDAB CC(C)(C)C(=O)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121051 VYWQXGZEJUBZIV-UHFFFAOYSA-N 317.437 1.772 0 40 DDAB CC[C@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H](C)O1 96447225 BRRMUZJKUYWDQS-OCCSQVGLSA-N 309.414 1.476 0 40 DDAB C[C@H](C(=O)NC(N)=O)N(C)Cc1csc(Br)c1 72515394 JOJGSRAPIBLRPR-ZCFIWIBFSA-N 320.212 1.526 0 40 DDAB O=C(O)[C@H](Cc1cccc(Br)c1)N1CCOCC1 41566909 XLTKVHOCXYZDEM-LBPRGKRZSA-N 314.179 1.777 0 40 DDAB CC(=O)OC[C@@H]1Cn2c(c(-c3ccccc3)c(=O)[nH]c2=S)O1 5664098 GERDHXQHDYJUQD-NSHDSACASA-N 318.354 1.897 0 40 DDAB O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccco1 11900409 FTCCBWWMLUEBKL-UHFFFAOYSA-N 317.364 1.971 0 40 DDAB O=C1NC2(CCN(C(=O)c3cccnc3)CC2)Nc2ccccc21 12117894 IFSZVQMDULEXMQ-UHFFFAOYSA-N 322.368 1.869 0 40 DDAB COc1ccc(C2(NC(=O)Cn3nc(C)ccc3=O)CC2)cc1 12362015 AYZTZBKQTJQBRH-UHFFFAOYSA-N 313.357 1.366 0 40 DDAB Cc1c(C)n(C[C@@H](O)CN(CCO)CCO)c2ccc(F)cc12 12422004 MALAXDGANHQLFS-HNNXBMFYSA-N 324.396 1.045 0 40 DDAB Cn1ncc2c1CCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 19289643 RINGPBBGPMHFMB-UHFFFAOYSA-N 313.357 1.666 0 40 DDAB O=C(c1cccnc1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19337452 LHFJHBYHSCILJA-CQSZACIVSA-N 324.384 1.604 0 40 DDAB COc1ccc([C@H](NC(=O)[C@@H]2CC23CCOCC3)C(=O)O)cc1 553756723 AOBRHJNXPOWQDP-KBPBESRZSA-N 319.357 1.754 0 40 DDAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1 15561109 FAPDUZFQLZRWMZ-UHFFFAOYSA-N 300.318 1.617 0 40 DDAB NC(=O)NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 5471937 OTLUQVVDDTWOLZ-UHFFFAOYSA-N 312.325 1.634 0 40 DDAB Cc1cnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)nc1 1888853232 XUPHVDHLKWOLNC-UHFFFAOYSA-N 314.393 1.399 0 40 DDAB c1ccc(CN2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 1888901333 SRYWCWCLRDHKTM-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)Nc1nncs1 21214988 DABOSQCXKKRNJH-UHFFFAOYSA-N 304.331 1.292 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CC(Oc2cccnc2)C1 238811503 AKOGBLMPTKTSEZ-INIZCTEOSA-N 312.325 1.511 0 40 DDAB CC(=O)N1CCC(N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)CC1 2037843333 BMXMVYJUGHHQLK-GOEBONIOSA-N 307.438 1.330 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H]2CCN(Cc3ccncc3)[C@H]2C1 1565545940 SCLDOAZCQORWPU-NRKLIOEPSA-N 313.401 1.007 0 40 DDAB CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C1CC(O)C1)C2 1565553727 CLNYGOFMSHMRPT-UHFFFAOYSA-N 306.410 1.139 0 40 DDAB O=C(c1cc[nH]c1)N1CC[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 1565542651 HODTXARCQDCTHJ-HZPDHXFCSA-N 303.406 1.588 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 270008 WPHIOHOVBVPDFR-GHMZBOCLSA-N 315.391 1.502 0 40 DDAB O=C(C1CC1)N1C[C@@H](OCCCn2cccn2)[C@@H]2OCCC[C@H]21 2055734763 SYSFOPUMHGFYKK-BZUAXINKSA-N 319.405 1.458 0 40 DDAB CC(C)C(=O)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738712 MFWMBHQQTYXUOV-LLVKDONJSA-N 305.378 1.444 0 40 DDAB COc1ccccc1CC(=O)N[C@@H](Cn1cncn1)C(C)C 575614905 ACPCKRMILIZXFT-AWEZNQCLSA-N 302.378 1.670 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 20027758 HCTDLSSJOFVDIP-SNVBAGLBSA-N 300.314 1.465 0 40 DDAB FC(F)(F)c1nnc2ccc(NCCCn3cccn3)nn12 30517532 RECKERDCGHATQC-UHFFFAOYSA-N 311.271 1.842 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 40488011 VOTLTPFRHPWTMS-CYBMUJFWSA-N 310.419 1.566 0 40 DDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2F)n(C)c1=O 176707 MJPHWHYVQFDTNS-UHFFFAOYSA-N 322.727 1.275 0 40 DDAB biogenic,in-vitro Cc1cc([C@@]2(C(F)(F)F)NC[C@@H](C)NC2=O)cc(C)c1O 20529171 RTYWNOAMQHSNGT-NOZJJQNGSA-N 302.296 1.875 0 40 DDAB CCN(CC)C(=O)N1CCN(C(=O)CCCn2cccn2)CC1 51468789 JJXSPCLUHDTVJY-UHFFFAOYSA-N 321.425 1.269 0 40 DDAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@H](O)C1 32902701 ULFWDDHQDQHHLE-KGLIPLIRSA-N 302.374 1.561 0 40 DDAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCNCC1 22029218 VPUJEXVRQHYPIO-GOSISDBHSA-N 309.413 1.949 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2cccc(Cl)c2)n1 558338 QPVCRMUYQJMEAD-UHFFFAOYSA-N 310.770 1.473 0 40 DDAB C[C@H](C(=O)NCCc1cnc[nH]1)n1cnc2ccccc2c1=O 12296798 SXGFZEYTJXOVAC-LLVKDONJSA-N 311.345 1.040 0 40 DDAB biogenic C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)n1cncn1 46931597 DUGCRWQMJIEOBU-QMMMGPOBSA-N 315.255 1.814 0 40 DDAB CS(=O)(=O)Nc1cnn(COc2cccc(Cl)c2)c1 2803637 DCICGVQMTFCVMM-UHFFFAOYSA-N 301.755 1.945 0 40 DDAB O=C(Nc1ccccn1)N[C@H]1CCCc2c1cnn2CCO 47125398 XLGUKVAUBDWGPY-LBPRGKRZSA-N 301.350 1.470 0 40 DDAB COc1cccc(N2C[C@H](NC(=O)c3ccco3)CC2=O)c1 4497135 GGSWGGXWZFAUBV-LLVKDONJSA-N 300.314 1.824 0 40 DDAB COC(=O)[C@@H](OC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1ccccc1 22989406 INATUWVPZNUQOY-YPMHNXCESA-N 321.373 1.995 0 40 DDAB CCOCCCNC(=O)CN1C(=O)CSc2ccccc21 2912705 LMUDARIBNORBIJ-UHFFFAOYSA-N 308.403 1.668 0 40 DDAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 6635525 NDHKJIIHMORCOJ-UHFFFAOYSA-N 312.435 1.922 0 40 DDAB N#C/C(=C/c1ccc(N2CCCC2)cc1F)C(=O)NC(N)=O 6969808 PNBLPAWXJHLFJN-XFFZJAGNSA-N 302.309 1.528 0 40 DDAB C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(N)=O 7089170 MOGYADBKJCWQNB-GMSGAONNSA-N 307.331 1.548 0 40 DDAB Cn1cc(-n2c(S)nc3ccccc3c2=O)c(C(=O)O)n1 8417793 UWDUUBXZCVPGSK-UHFFFAOYSA-N 302.315 1.106 0 40 DDAB C[C@@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCC2 54804300 ORJXCYHBJPQGNY-IAQYHMDHSA-N 301.390 1.753 0 40 DDAB CCN1CCN(C[C@@H](O)COCC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 104492697 BMYHXPQLWZZPDW-ZJPYXAASSA-N 310.482 1.828 0 40 DDAB CN(C)CCCNC(=O)CN1C(=O)C(C)(C)c2ccccc21 57355618 PPCKHZUWGPQZSP-UHFFFAOYSA-N 303.406 1.379 0 40 DDAB O=C(NCCNC(=O)[C@H]1Cc2ccccc2O1)c1ccco1 24768966 VUXRLQSKQSKORM-CQSZACIVSA-N 300.314 1.129 0 40 DDAB COc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(OC)c1 9548162 YOZYZKJWQSDICH-UHFFFAOYSA-N 311.363 1.845 0 40 DDAB CCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 57183915 BLHGTQNQUFJDEV-CYBMUJFWSA-N 303.387 1.819 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)C[C@H]2C=CCC2)cc1 58197832 XSVGAIYRJINSFC-ZDUSSCGKSA-N 302.374 1.784 0 40 DDAB C[C@@H]1CCCCN1C(=O)Cn1c(-c2ccccn2)noc1=O 58292770 OINCFVJHFZZOKG-LLVKDONJSA-N 302.334 1.299 0 40 DDAB Cc1nccn1-c1ccc(CNC[C@H]2CNc3ccnn3C2)cn1 58291761 CCGVYWNHSPODNW-HNNXBMFYSA-N 323.404 1.604 0 40 DDAB CC(C)OC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 100886036 UKKGEKYFVJZNFL-OEUWWYETSA-N 305.374 1.663 0 40 DDAB COc1ccc(CC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cc1 58326735 NBWSOBFRNOHBGO-LBPRGKRZSA-N 319.405 1.533 0 40 DDAB COC(=O)c1ccc(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)cc1 177228999 KFWUMCZUHWYHHA-YOEHRIQHSA-N 318.417 1.626 0 40 DDAB Cc1cn2cc(NC(=O)COc3ccc(C(N)=O)cc3)ccc2n1 58417003 IWJCDUGOXYSLMW-UHFFFAOYSA-N 324.340 1.759 0 40 DDAB CCCN(CCC)C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426457 ULEORJQGHAQPHJ-UHFFFAOYSA-N 323.418 1.410 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107263675 TVSRWGUZZQCMKW-ARFHVFGLSA-N 301.390 1.197 0 40 DDAB CCCCN(C)CC(=O)NCCc1ccc2c(c1)OCCO2 29121240 HEBWDNHINWABRI-UHFFFAOYSA-N 306.406 1.848 0 40 DDAB CC(C)(C)NC(=O)NC(=O)CCSc1nnnn1C1CC1 12915864 QBOBCWODYYKHIS-UHFFFAOYSA-N 312.399 1.115 0 40 DDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 408620355 JGKPHVGSSJTEBZ-UHFFFAOYSA-N 321.782 1.882 0 40 DDAB CCCCn1c(=O)[nH]c(O)c([C@H]2OC(=O)c3ccccc32)c1=O 8971268 WKMNZEUIFUGZJT-LBPRGKRZSA-N 316.313 1.302 0 40 DDAB O=C(CN1CCC[C@@H](O)C1)NCCc1c[nH]c2ccccc12 39987712 DXGKRBQJDGXGSF-CQSZACIVSA-N 301.390 1.283 0 40 DDAB Cc1noc2ncc(C(=O)N3CCN(CC4CC4)CC3)cc12 71820743 WRDOKDCXPXOGOO-UHFFFAOYSA-N 300.362 1.699 0 40 DDAB O=C(Cc1nc(-c2ccc(O)cc2O)cs1)N1CCOCC1 14016224 WQFBCRMMTXVVOR-UHFFFAOYSA-N 320.370 1.623 0 40 DDAB CC(C)CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 65515951 RSHPHJAATGDIJC-UHFFFAOYSA-N 309.341 1.416 0 40 DDAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)no1 14159721 ZSFSWRXQUWQMQS-OAHLLOKOSA-N 301.346 1.995 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)NC2CCC(O)CC2)cc1 71897584 UKGPJRFKABILJD-UHFFFAOYSA-N 319.405 1.328 0 40 DDAB CCOC(=O)c1sc2nc(SCCO)nc(N)c2c1C 6719234 FJXCEBOHEUFRLK-UHFFFAOYSA-N 313.404 1.843 0 40 DDAB COc1cccc(CC(=O)N2CCN(c3ncccn3)CC2)c1 6935728 NWRJZMPTCJUEDR-UHFFFAOYSA-N 312.373 1.377 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 96007129 KTYWLRJKTSZRCT-ZETCQYMHSA-N 304.190 1.697 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1ccccc1Br 15520110 CCJLGFWEGSKCFY-UHFFFAOYSA-N 321.178 1.917 0 40 DDAB Cc1cnc([C@@H](NC(=O)N2CCC(C(N)=O)CC2)C2CC2)s1 80445455 DMOQZQMYFFEQHR-LBPRGKRZSA-N 322.434 1.810 0 40 DDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCCC3)CC2=O)c1 8267150 QGMYWGCUSKCNME-LBPRGKRZSA-N 318.373 1.679 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nnc3n2CCC3)c1C 69391528 BBWATPNURTVWFO-UHFFFAOYSA-N 315.377 1.644 0 40 DDAB COCCN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 69527588 RHCSDIKSKSHNKL-INIZCTEOSA-N 302.418 1.945 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1cc(C)no1 69589729 BEHUCGMQYRZGQK-KGLIPLIRSA-N 320.393 1.397 0 40 DDAB CCC(=O)N1CCN(C(=O)NCCN(C)c2ccccc2)CC1 69631461 XBVMCZARVOSFLK-UHFFFAOYSA-N 318.421 1.387 0 40 DDAB CC(C)c1nnc(SCC(=O)NCc2ccccn2)n1C 71799799 UHUYJGGBQOKCRJ-UHFFFAOYSA-N 305.407 1.742 0 40 DDAB Cc1cc([C@H](C)C(=O)N2CCN(CC(C)(C)O)CC2)c(C)o1 69844173 AVGPHWYDPYSZLS-ZDUSSCGKSA-N 308.422 1.915 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69950728 DNDOEUJRGFKSJZ-DLBZAZTESA-N 318.417 1.433 0 40 DDAB c1ccc(-n2cc(CN3CCC[C@H](Cn4cncn4)C3)nn2)cc1 69923564 ORYPXUFCHFGJSR-HNNXBMFYSA-N 323.404 1.771 0 40 DDAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(=O)n(C)n2)cc1 9550325 BHPACCDYWHBGHV-ZDUSSCGKSA-N 315.329 1.035 0 40 DDAB Cc1cc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c(C)o1 72288377 KFFXZVBHWQWPPX-UHFFFAOYSA-N 320.370 1.747 0 40 DDAB CCc1nnsc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 97147427 AFANVYMYXYBWFG-SNVBAGLBSA-N 308.338 1.196 0 40 DDAB O=C(Nc1ccncc1F)N1CCC[C@@H]1CN1CCOCC1 97135868 PXYKSCIAEIPLQH-GFCCVEGCSA-N 308.357 1.549 0 40 DDAB CC(=O)N1CCCN([C@@H]2CN(Cc3cc(C)no3)C[C@@H]2C)CC1 95402439 JNMVKYLGDSKNJC-SUMWQHHRSA-N 320.437 1.358 0 40 DDAB CNS(=O)(=O)CCC(=O)OCCC1C[C@@H](C)C[C@H](C)C1 95452628 WZDBDBJCZAPIHE-RYUDHWBXSA-N 305.440 1.931 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)C1CC1 84823040 MFBVRSNIFZBZPT-HNNXBMFYSA-N 313.357 1.944 0 40 DDAB COCCN(CC(=O)O)C(=O)c1sc(C(C)C)nc1C 95969826 AUPXSFLCEAIGBL-UHFFFAOYSA-N 300.380 1.748 0 40 DDAB CNc1snc(C)c1C(=O)N1CCC(n2ccnn2)CC1 95979299 VIDUQLCYOZFYAG-UHFFFAOYSA-N 306.395 1.562 0 40 DDAB CNC(=O)c1sc(-c2ccc(S(N)(=O)=O)cc2)nc1C 75126949 YMXUSKKRPFKRAN-UHFFFAOYSA-N 311.388 1.126 0 40 DDAB CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCCCNC2=O)n1 75125665 SZXDTDKAZNBLHE-QMMMGPOBSA-N 317.315 1.642 0 40 DDAB Cc1cc(NC(=O)Nc2c(C)n[nH]c2C)ccc1-n1cnnn1 89857358 KQMJHYDNMCIRPV-UHFFFAOYSA-N 312.337 1.955 0 40 DDAB Cc1cc(C)cc([C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)O)c1 548589620 AGCGICUIKLUXQI-CHWSQXEVSA-N 313.375 1.137 0 40 DDAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1C(=O)O 217537519 QZXACNOFXJJIBH-SECBINFHSA-N 300.380 1.893 0 40 DDAB O=C(O)c1cc2nc(O)cc(CSc3ccccn3)n2n1 36615147 NHEZUUQSEIHUCI-UHFFFAOYSA-N 302.315 1.820 0 40 DDAB CC[C@@H]1CN(Cc2ccccc2)CCN1CCS(C)(=O)=O 75918228 PEMCVHVVVVRFNU-MRXNPFEDSA-N 310.463 1.627 0 40 DDAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(C=O)CC2)c1 38752128 GVBFNILQWVGWKD-OAHLLOKOSA-N 304.390 1.680 0 40 DDAB CS(=O)(=O)CCS[C@@H](C(=O)NC1CC1)c1ccccc1 78614959 VFIWBDJTHLCIOG-CYBMUJFWSA-N 313.444 1.784 0 40 DDAB CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cn[nH]n2)c1 79002083 PKPHFMAEIMYHKP-UHFFFAOYSA-N 308.363 1.380 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238232 WLAQCEHUDAEDFR-GDBMZVCRSA-N 304.390 1.667 0 40 DDAB C[C@@H]1CN(c2ncnc3c2cnn3C2CCNCC2)C[C@@H](C)O1 228939697 LLSNFRSPGSLTOB-VXGBXAGGSA-N 316.409 1.364 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C(=O)c1c[nH]c2ccccc12 49027889 RPHVSXZBDXLYFC-UHFFFAOYSA-N 313.279 1.918 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccnc2)s1 223420721 YIEMDTWDLQQSIE-UHFFFAOYSA-N 313.364 1.082 0 40 DDAB COCc1nnc(N2CC[C@](C(=O)O)(C(F)(F)F)C2)s1 573687727 JIGIGQRWOAPBKQ-VIFPVBQESA-N 311.285 1.528 0 40 DDAB CCOc1cc(C(=O)NCc2ccc(-n3cccn3)nc2)ccn1 96409816 GUBJXMGSBVJCNL-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB CC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H](C)[S@]1=O 332252231 RLFQAAAXUVXIMU-JWCBKOKGSA-N 305.403 1.706 0 40 DDAB O=C1CNC(=O)N1CCCNc1ccc2ccc(F)cc2n1 96429447 VWBJPWTUOWTDGC-UHFFFAOYSA-N 302.309 1.728 0 40 DDAB C[C@H](Cn1cc(C(=O)O)nn1)N1CCN(c2ccccc2)CC1 96516084 RNIHCAMRXYNEBF-CYBMUJFWSA-N 315.377 1.187 0 40 DDAB Cc1nnn2c1COC[C@H](CNC(=O)Cc1ccsc1)C2 96199352 VUGHWWDQXSIHEF-GFCCVEGCSA-N 306.391 1.153 0 40 DDAB O=C(c1cnccn1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238431 BBSKQCIRJZNLRE-SFHVURJKSA-N 322.368 1.746 0 40 DDAB COCCC(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 96080915 BCXYHFVAFWHJJA-GJZGRUSLSA-N 306.381 1.752 0 40 DDAB CC(C)CN1C(=O)[C@]2(CCN(S(C)(=O)=O)C2)c2ccccc21 96244826 AWBFRKMBJIUCPS-INIZCTEOSA-N 322.430 1.592 0 40 DDAB Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2CCCN(C)C2)c1 96475112 WXONWYZPPDMVQR-CABCVRRESA-N 306.406 1.193 0 40 DDAB NC(=O)c1cccc(CN2CCO[C@H](c3nccs3)C2)c1 97199893 JGSPWDKMRXJSCR-ZDUSSCGKSA-N 303.387 1.816 0 40 DDAB C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(N)cc1Cl 97104502 PMKMTDXXRDZYMW-PRHODGIISA-N 304.799 1.519 0 40 DDAB O=C(CCc1nc[nH]n1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 331508506 KPUDMXIGASOPPD-GWCFXTLKSA-N 322.315 1.350 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)COc3cccc(Cl)c3)C[C@@H]2C1 96107954 LMEFHTNQABPARS-SWLSCSKDSA-N 324.808 1.508 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1cc(F)ccc1F 95471816 IBARDJFQXJLDLX-UHFFFAOYSA-N 308.240 1.463 0 40 DDAB CC(C)NC(=O)C[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1 96215752 DBCNOYYBDIAAHK-YNEHKIRRSA-N 309.435 1.647 0 40 DDAB COCCNC(=O)C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1 96208171 LZYHHXKSEWXHJI-RRFJBIMHSA-N 324.446 1.490 0 40 DDAB CNC(=O)[C@@H]1CCCN1Cc1c(C2CC2)nc2sccn12 97230870 RXGPUNBDCMBUBG-NSHDSACASA-N 304.419 1.984 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(Cc2ccccn2)CC3)cn1 96255197 VSBJBFOBVGAMDA-UHFFFAOYSA-N 320.400 1.873 0 40 DDAB CCN1C(=O)CC[C@H](C(=O)Nc2cn[nH]c2)[C@@H]1c1cnn(C)c1 331604536 LTYOHFCMQCZQHN-JSGCOSHPSA-N 316.365 1.082 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccoc1 96045348 XCURZLXSDSNGTM-CQSZACIVSA-N 316.361 1.667 0 40 DDAB CCOC[C@H]1CN(c2cc(OC)ncn2)Cc2nccn2C1 247888137 LRTBMTJBVDBBAV-GFCCVEGCSA-N 303.366 1.355 0 40 DDAB CO[C@H]1CN(C(=O)Cc2csc(C)n2)CC[C@@]12CCCO2 257324093 WNDIDJUMYNEWBV-ZFWWWQNUSA-N 310.419 1.791 0 40 DDAB O=C(Cc1cccnc1)N1CC(N2CCc3ccccc3C2)C1 253471197 BLORVSLOOCQLDX-UHFFFAOYSA-N 307.397 1.893 0 40 DDAB CNc1cnc(C[C@H]2CCCN(C(=O)c3ccon3)CC2)cn1 257237209 HFORVDAEIQQPRA-LBPRGKRZSA-N 315.377 1.991 0 40 DDAB Cn1nc(N)c2ccc([C@H]3CCCN(c4ncccn4)C3)nc21 257258489 KUFFDUVQSINOBN-NSHDSACASA-N 309.377 1.725 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1 96122857 KLQWZYAJGGCFCR-UHFFFAOYSA-N 317.370 1.426 0 40 DDAB O=C(NCc1ccc(-c2ccoc2)cc1)C(=O)Nc1ccon1 390831046 PHPFGDYAGQVEME-UHFFFAOYSA-N 311.297 2.190 0 40 DDAB CN1CCC(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)CC1 585269520 XXPMUHRFUDHTKD-SFHVURJKSA-N 318.417 1.371 0 40 DDAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)CC 69739979 KBXBWLHRWSYIKR-UHFFFAOYSA-N 314.407 1.695 0 40 DDAB O=c1c2cccnc2ncn1C[C@H](O)c1ccc(F)cc1F 48367672 RLSSYAXXKDWBOR-ZDUSSCGKSA-N 303.268 1.803 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)c(O)co2)C1 74350060 GTORUVXDLCTXDD-GFCCVEGCSA-N 306.362 1.084 0 40 DDAB CCO[C@@H](C)c1noc(CN[C@](C)(C(N)=O)c2ccccc2)n1 84800625 DTJAPPGICXHKJD-ZBEGNZNMSA-N 318.377 1.657 0 40 DDAB CCO[C@H](C)C(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1 95402122 WGONJPLRKVBTLO-NEPJUHHUSA-N 313.423 1.232 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40466700 JIMZOOMPRLHZSX-JQWIXIFHSA-N 315.366 1.239 0 40 DDAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC(=O)N(CC2CC2)C1 40506083 ZJECUNGFVUAULK-CQSZACIVSA-N 304.365 1.743 0 40 DDAB Cc1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)no1 1615190796 IHFGUNDPLCTEGP-KRWDZBQOSA-N 316.357 1.429 0 40 DDAB NS(=O)(=O)C(F)(F)C(F)(F)OC(Cl)(Cl)Cl 5282296 VSZKYJKAPLHUAA-UHFFFAOYSA-N 314.471 1.805 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2ccoc2)oc1=O 12154228 WHXOURAGJJRKCL-PHIMTYICSA-N 305.334 1.886 0 40 DDAB CCOCC(=O)N[C@H](C)c1nc2c3c(C)c(C)oc3ncn2n1 12236103 XYSJECXXJTXZPW-SECBINFHSA-N 317.349 1.701 0 40 DDAB CCOc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1 13693481 XZSYFHXHFJOCEB-UHFFFAOYSA-N 314.389 1.781 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 15330615 OQGYCRIOVZMGGI-VHSXEESVSA-N 317.794 1.411 0 40 DDAB COc1ccc(S(=O)(=O)NCC2CCN(C)CC2)c(C)c1 22999764 LKBXJOBTDKIOHA-UHFFFAOYSA-N 312.435 1.624 0 40 DDAB CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(N(C)C)cc1 238952945 XIFTUVUZBOCJHI-HNNXBMFYSA-N 301.394 1.799 0 40 DDAB Cc1nc(-c2ccc3c(c2)N(C[C@@H](O)CO)C(=O)CO3)cs1 20162600 WEXASAOWTPPKPJ-LLVKDONJSA-N 320.370 1.197 0 40 DDAB Cc1ccccc1NC(=O)C[C@H](C(=O)O)N1CCN(C)CC1 22584865 FXCIFSPPXCAQMC-CQSZACIVSA-N 305.378 1.024 0 40 DDAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N1CCOCC1 2627898 ACXHLYUBHCMWDD-SNVBAGLBSA-N 320.370 1.700 0 40 DDAB Cc1nc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)cs1 1888834276 RVDLQWAXWXKTPW-AWEZNQCLSA-N 309.435 1.665 0 40 DDAB Cc1ccccc1CC(=O)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888853087 IEGHTJLIQHTLTL-IAGOWNOFSA-N 322.412 1.922 0 40 DDAB COc1c(C)cnc(CN2CCO[C@H](C(=O)NC3CC3)C2)c1C 1888853091 JBEQNBSRFUEMNV-HNNXBMFYSA-N 319.405 1.186 0 40 DDAB O=C1CCc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N1 24997281 ITOKIUSQXFHOST-UHFFFAOYSA-N 316.357 1.550 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 36983378 VBLYVPPJEWSUTM-NSHDSACASA-N 301.339 1.762 0 40 DDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)/C=C/c1ccccc1 253472078 IPKQDZLLSILVSA-SHQCLWGWSA-N 320.418 1.893 0 40 DDAB c1cnc(N2CCCC2)c(CNc2cc(-n3cncn3)ncn2)c1 2087025967 ZYQRRFTZSFAPPP-UHFFFAOYSA-N 322.376 1.665 0 40 DDAB O=C(NC[C@H]1Cn2nnc(-c3ccoc3)c2CO1)C1(F)CC1 1565546485 CYGRGAYQHIPEJN-JTQLQIEISA-N 306.297 1.055 0 40 DDAB NC(=O)CSc1nnc(NC(=O)NC2CCCCC2)s1 4851338 FEWBMVFPRGJKSJ-UHFFFAOYSA-N 315.424 1.570 0 40 DDAB Cc1cc(C)c(C(=O)N2CC(CN3C(=O)CCC3=O)C2)c(C)c1 585148914 NUQRNWUTODYKNR-UHFFFAOYSA-N 314.385 1.833 0 40 DDAB Cc1cc(CNC(=O)c2cccnc2N2CCOCC2)on1 50353638 RHVCSVMSMFJCMD-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB CCCCOc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)cc1 40542358 REODAZSESWCSJR-UHFFFAOYSA-N 315.373 1.921 0 40 DDAB NC(=O)c1ccc(NC(=O)Cn2nnnc2C2CCCC2)cc1 40555989 YRRKZHJWMHMWDW-UHFFFAOYSA-N 314.349 1.068 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@H]1CCCO1 40526807 NYXMVIKJFBLONR-NSHDSACASA-N 312.391 1.699 0 40 DDAB CC[C@H](NC(N)=O)c1ccccc1OCC(=O)N1CCCC1 40556106 LLFSXHNGSJOKAR-ZDUSSCGKSA-N 305.378 1.807 0 40 DDAB NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2cccnc2)C1 20739238 VYYHULHLLXTPGB-UHFFFAOYSA-N 307.357 1.546 0 40 DDAB COc1ccc(CNC(=O)c2nc3ncccn3n2)cc1OC 338956 LSEVURCPDSXZJV-UHFFFAOYSA-N 313.317 1.072 0 40 DDAB Cc1ccccc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 32796371 SKHVGBBJXSAQDU-UHFFFAOYSA-N 324.340 1.193 0 40 DDAB Cc1cc(O)n2nc(CC(=O)NCCc3ccccc3)nc2n1 102726712 HLCMQOHIOJXVEN-UHFFFAOYSA-N 311.345 1.040 0 40 DDAB O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(=O)[nH]c1 46701018 CMKGZRHMZQNHID-UHFFFAOYSA-N 308.341 1.550 0 40 DDAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O 226488 OQUUHLBXFYAZAH-VIFPVBQESA-N 302.286 1.735 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)c1C 8878520 MMYXOWKGFUXSBK-LLVKDONJSA-N 317.345 1.443 0 40 DDAB COCCNC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 12391619 OKLSAEFMMSXPIZ-UHFFFAOYSA-N 305.334 1.900 0 40 DDAB O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cnccn1 1358389 BPKPBJKDUTVXPQ-UHFFFAOYSA-N 309.285 1.969 0 40 DDAB C[C@H]1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1 53534091 HBFVFLJQMHTZEN-VIFPVBQESA-N 314.338 1.027 0 40 DDAB COCCNC(=O)C(=O)Nc1cccc(Br)c1 4122259 ZOHIINRBQDAMGS-UHFFFAOYSA-N 301.140 1.150 0 40 DDAB Cc1cccc(CSc2nnc(CCC(=O)O)c(=O)[nH]2)c1 4317179 RYUZKXKTQAGYIW-UHFFFAOYSA-N 305.359 1.783 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC 4318761 HGKAESOYUDDHBK-ZDUSSCGKSA-N 300.318 1.749 0 40 DDAB CCc1nc(COC(=O)CN2C(=O)NC(C)(C)C2=O)cs1 22987689 WWYCRQYENJTDAK-UHFFFAOYSA-N 311.363 1.079 0 40 DDAB O=C(O)C1=C(C(=O)O)[C@@H]2CCC[C@H]3[C@H]4CCCC[C@@H]4N(N1)[C@@H]23 4972545 CLKXBYLUFNZMKH-ADADXYTCSA-N 306.362 1.587 0 40 DDAB CCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 4996554 BMWJYAWLINOLDK-HUUCEWRRSA-N 318.373 1.486 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)NCCn2ccnn2)C12CCCCC2 104392151 QRVWQYMWBWIYCO-ZIAGYGMSSA-N 321.425 1.705 0 40 DDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc2c(c1)OCO2 61720323 JTUBYAVSHYHCFG-LLVKDONJSA-N 319.342 1.058 0 40 DDAB CCCN(CCC)C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100667403 JIOVMSDOULQNDD-DARAHFNDSA-N 318.417 1.832 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(Cc3ccnn3C)CC2)C1 108526694 YMYGYXRJJVBBMP-UHFFFAOYSA-N 305.426 1.436 0 40 DDAB CC(C)c1nc(CC(=O)NC[C@H](C)N2CCOCC2)cs1 43036424 NGTKPYJZSNAUEG-LBPRGKRZSA-N 311.451 1.646 0 40 DDAB O=C(Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1)C(F)(F)F 103782337 MEFZFNHBHNAJKQ-UHFFFAOYSA-N 323.234 1.585 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2cnc3ccccc3n2)C1 54058755 OBPXXJPMTXPINT-LLVKDONJSA-N 306.391 1.148 0 40 DDAB Cc1cc(NCC(=O)N[C@@H](C)C(C)C)ccc1-n1cnnn1 25701282 AFRBQSJSSKSHNH-LBPRGKRZSA-N 302.382 1.543 0 40 DDAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(CCO)CC1 35107028 RHEYCBMHGGTNOZ-UHFFFAOYSA-N 317.216 1.672 0 40 DDAB CCc1nnc(NC(=O)CNC(=O)c2cccc(C)c2)s1 57291888 WJKSNEZZIOFZOS-UHFFFAOYSA-N 304.375 1.777 0 40 DDAB CCCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CC)c1=O 35590412 ILBGAIDAZPAHMZ-LBPRGKRZSA-N 317.389 1.488 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CC[C@H]1[C@@H]2OCc1ccccn1 107265972 QMRXYKOCKQNREX-UHOFOFEASA-N 310.357 1.691 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N1CCCC1 58191118 AOEGCQIQAOAKRZ-SECBINFHSA-N 318.345 1.254 0 40 DDAB CCC1(CC)NC(=O)N(C[C@@H](O)CN2CCC(C)CC2)C1=O 58172921 VRBKTEKNSBMKAO-ZDUSSCGKSA-N 311.426 1.190 0 40 DDAB COc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)ccc1C 44890865 RTQLNKKNGKECKN-AWEZNQCLSA-N 302.374 1.887 0 40 DDAB FC(F)(F)c1cccnc1NCCNc1ccc2nnnn2n1 44976766 JUWOYSPDHRVAIA-UHFFFAOYSA-N 324.270 1.457 0 40 DDAB C[C@@H](NS(=O)(=O)N(C)C)c1ccc(NC(=O)C2CC2)cc1 28044784 JONCOYLOAGDOQU-SNVBAGLBSA-N 311.407 1.492 0 40 DDAB C[C@H](NC(N)=O)C(=O)Nc1ccccc1OCc1cscn1 58413780 SACSVENXRNPQAS-VIFPVBQESA-N 320.374 1.717 0 40 DDAB O=C(/C=C/c1nc2ccccc2o1)NCCN1CCOCC1 45396103 PWLQDTHGHUVKPH-AATRIKPKSA-N 301.346 1.289 0 40 DDAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC1 12754933 OAKHVBSXWVTRNE-UHFFFAOYSA-N 324.402 1.915 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)s1 45811421 RNDIFUNMGAVEKO-UHFFFAOYSA-N 310.828 1.678 0 40 DDAB COc1ccc(C)cc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 9009470 DLYZYRQFUFVMTH-ZYHUDNBSSA-N 312.416 1.657 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 71285428 JRCJVBNVDJJRAY-QWHCGFSZSA-N 316.357 1.874 0 40 DDAB Cn1ncc2c(N3CCOCC3)nc(NCc3ccccc3)nc21 4375030 QDSVILYBJMIZGK-UHFFFAOYSA-N 324.388 1.812 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65402468 VBMALTKIYUJYSY-AWEZNQCLSA-N 315.417 1.558 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@H](N2CCCC2)C1 65423354 HMUDXRRSIQUESJ-AWEZNQCLSA-N 318.425 1.158 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@H](N2CCCC2)C1 65444412 YUJYLBNROLPDEY-HUUCEWRRSA-N 305.426 1.541 0 40 DDAB Cc1nnc(CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)o1 65514379 KAMDBIBFJHZCDO-UHFFFAOYSA-N 300.274 1.256 0 40 DDAB CCn1c(CCNC(=O)CNC(=O)OC)nc2ccccc21 65928582 APWWHVVDXDGSRC-UHFFFAOYSA-N 304.350 1.071 0 40 DDAB CC(=O)c1ccc(N2CCN(c3ncnc4[nH]cnc34)CC2)cc1 6620437 SMMOCUDWYPQSRN-UHFFFAOYSA-N 322.372 1.882 0 40 DDAB CCOc1ccccc1CN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O 68109904 ANVOEXCKSMTOKU-GFCCVEGCSA-N 318.373 1.581 0 40 DDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1 7688213 WXJAEOFBHNMDFM-JTQLQIEISA-N 312.391 1.082 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC(C)C 7723452 MOFMNWJTZGEJIA-UHFFFAOYSA-N 314.407 1.930 0 40 DDAB COC(=O)CCCCNC(=O)NC[C@@H](C)Cn1nc(C)cc1C 69244937 SIULLGJWJDKDFQ-GFCCVEGCSA-N 324.425 1.779 0 40 DDAB O=C(CN1CCOc2ccccc2C1)c1ccc2[nH]c(=O)[nH]c2c1 69349253 QJWDEVNHDDEALG-UHFFFAOYSA-N 323.352 1.934 0 40 DDAB CNC(=O)[C@H]1CCCN1CC(=O)NCc1cccc(Cl)c1 69458384 GFGJILYBPCWBMH-CYBMUJFWSA-N 309.797 1.167 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)[nH]n1 69530076 NYNFPVIEHHTNMO-SNVBAGLBSA-N 302.309 1.849 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)N(C)Cc2ccco2)c1 69656175 RAWZIRNSUYGNDJ-KBPBESRZSA-N 304.394 1.982 0 40 DDAB C[S@](=O)c1nncn1Cc1cc(Br)ccc1F 71899905 ODIOPUWXGGXPOZ-QGZVFWFLSA-N 318.171 1.965 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2ccnc2C)C1 71870626 MVMJETVUTADWGI-KBPBESRZSA-N 322.434 1.276 0 40 DDAB COc1ccc(COCC(=O)N2CCCn3ncnc32)cc1 71839388 FHQPVXWMQOUPMT-UHFFFAOYSA-N 302.334 1.240 0 40 DDAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H](C)O)CC1 69740223 YFDRLAXVOAZEAD-KGLIPLIRSA-N 316.405 1.796 0 40 DDAB Cc1cnn(CCNC[C@@H](O)c2ccc3c(c2)OCCO3)c1 71872134 ZVLORNPOMVBMSX-CQSZACIVSA-N 303.362 1.286 0 40 DDAB COC(=O)c1cc(CNC(=O)c2ccccn2)ccc1OC 18060418 ZJASDOWMUUZMFP-UHFFFAOYSA-N 300.314 1.807 0 40 DDAB CCc1nnc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)o1 69846259 QIWFYZGUYAUVPI-CYBMUJFWSA-N 304.398 1.753 0 40 DDAB O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1 69873021 OORUYQJPTSYXEV-BBRMVZONSA-N 304.369 1.863 0 40 DDAB Cc1cnn(CCNCc2cc(=O)n3c(C)csc3n2)c1 69976141 LCXHVGKSGYFUCN-UHFFFAOYSA-N 303.391 1.359 0 40 DDAB NC(=O)NCCCCC(=O)N1CCC[C@H]1CC(=O)c1ccco1 95412392 KFMVSGOLJLGZAA-LBPRGKRZSA-N 321.377 1.682 0 40 DDAB Cc1cc(=O)c(C(=O)N[C@@H](C)CC(=O)O)nn1-c1ccccc1 95425012 NEGLJEUIZXPZBO-JTQLQIEISA-N 315.329 1.134 0 40 DDAB CC[C@@H](C)S(=O)(=O)N1CCN(c2ncccc2Cl)CC1 95415232 UXBXBWCQDLRHOF-LLVKDONJSA-N 317.842 1.985 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269370 LEYQFISBZDGZIP-KGLIPLIRSA-N 318.373 1.087 0 40 DDAB O=C(Nc1cccc2[nH]cnc12)c1cccc(-n2cnnn2)c1 72288806 XCDRRYHEHZWGMO-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB CC(C)C(=O)NCCNC(=O)Nc1cnn(-c2ccccc2)c1 72295093 KHWXYSJNRVZFNK-UHFFFAOYSA-N 315.377 1.766 0 40 DDAB C[C@@](O)(CNC(=O)Nc1nnc2ccccn12)c1ccsc1 72294242 XLZIMEBCQSZLFF-CQSZACIVSA-N 317.374 1.820 0 40 DDAB O=C1C[C@@H](NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CN1 95996751 NFSRYFSPHWFWCX-GHMZBOCLSA-N 300.280 1.727 0 40 DDAB COc1cc(CCNC(=O)N[C@H]2CCCC[C@@H]2O)ccc1F 95985361 WKMUZSZJLGYPNP-KBPBESRZSA-N 310.369 1.980 0 40 DDAB CN(C)c1cccc(C(=O)N(CCS(C)(=O)=O)C2CC2)c1 89326690 SCYVKDXRAHVMJP-UHFFFAOYSA-N 310.419 1.402 0 40 DDAB CNC(=O)c1cccnc1NCc1cccc(Cn2cncn2)c1 89392155 LAVPWVZBNCUKIH-UHFFFAOYSA-N 322.372 1.693 0 40 DDAB Cc1noc(C)c1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O 89529346 ATCYSTFRCSRRLL-OAHLLOKOSA-N 306.366 1.196 0 40 DDAB Cc1cccc(OCCNC(=O)CN2CCN(C)C[C@@H]2C)c1 89677755 ONGHQIGPHJWDAS-HNNXBMFYSA-N 305.422 1.126 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)n1 76049073 VSFDRPJTRFMFPU-NSHDSACASA-N 304.354 1.337 0 40 DDAB Cc1ccc([C@@H](O)CN2CCO[C@H](c3nc(C)n[nH]3)C2)c(C)c1 76048018 OUXSRUHSXIAGLT-HOTGVXAUSA-N 316.405 1.837 0 40 DDAB CC(C)(Oc1ccccc1)C(=O)N1CC[C@H](c2nn[nH]n2)C1 1548763506 HZGYUSKBQUSWKS-NSHDSACASA-N 301.350 1.373 0 40 DDAB C[C@H]1NCCC[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)s1 515416830 LXUHBCMXOYUCKI-MWLCHTKSSA-N 316.448 1.156 0 40 DDAB O=C(c1noc2c1COCC2)N1CCC[C@H]([C@H]2CCCCN2)C1 527592880 DMRMWARMNNVUDI-GXTWGEPZSA-N 319.405 1.742 0 40 DDAB O=C(c1noc2c1COCC2)N1CCC[C@H]([C@@H]2CCCCN2)C1 527592881 DMRMWARMNNVUDI-JSGCOSHPSA-N 319.405 1.742 0 40 DDAB CS(=O)(=O)C[C@@H]1CCN(C(=O)Nc2cccc3c2OCC3)C1 529201320 YMVHVXKFWUVBNE-LLVKDONJSA-N 324.402 1.520 0 40 DDAB CC(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217545191 LJKLHKZGBCJICL-UHFFFAOYSA-N 300.380 1.892 0 40 DDAB COc1ccc2cc(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)[nH]c2c1 531220602 OSIAOTMUWKDECW-NSHDSACASA-N 313.357 1.670 0 40 DDAB Cc1nnsc1C(=O)NCCOc1ccc(C(=O)O)cc1 555494704 MORJBRVHAZXJFT-UHFFFAOYSA-N 307.331 1.354 0 40 DDAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccncc1 71979909 NUQLYBZXDOONDM-RYCVTPFZSA-N 304.346 1.914 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)NC3CCC3)c(=O)c1n2C 72335333 ODPQHIXRWBIBCP-UHFFFAOYSA-N 314.345 1.458 0 40 DDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1=COCCO1 32883717 ZOAKNBKKUSXFBP-UHFFFAOYSA-N 324.358 1.053 0 40 DDAB Cc1ccc(OCC(=O)NCCCN2CCOCC2)cc1C 47465716 WGSUQSMRIPLGHI-UHFFFAOYSA-N 306.406 1.521 0 40 DDAB Cn1cc(NC(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)cn1 40761957 OOOKCDWXXGQANI-UHFFFAOYSA-N 324.344 1.658 0 40 DDAB Cc1cc(C(=O)N2CCOC[C@H](Oc3ccccc3)C2)no1 85435952 MCPAHRJGBPSVLH-CQSZACIVSA-N 302.330 1.903 0 40 DDAB biogenic,in-vitro CCOc1cc(N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)ncn1 195567142 QNZHJRGRVGNIGT-IUODEOHRSA-N 317.393 1.559 0 40 DDAB COCCCNC(=S)Nc1ccc(N2CCN(C)CC2)nc1 223889608 KOHIXIYOPXCYFO-UHFFFAOYSA-N 323.466 1.156 0 40 DDAB CC1(CO)CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 573015954 CSFREIJIRSOCPC-KRWDZBQOSA-N 304.434 1.986 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CC[C@H]3CCCC[C@H]32)O1 225583480 IBUBDJZJNYINGX-KBUPBQIOSA-N 323.437 1.596 0 40 DDAB c1ncc([C@H]2COC3(CCN(Cc4csnn4)CC3)C2)cn1 96073022 OJPJFKOYRHSWNQ-GFCCVEGCSA-N 317.418 1.867 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@@H](O)c1ccc(Cl)cc1Cl 96522021 CQZWPJUFSXKOTD-MNOVXSKESA-N 313.202 1.822 0 40 DDAB CCC(=CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1)CC 236923945 SZPWECWXDOHADE-CVEARBPZSA-N 321.465 1.840 0 40 DDAB CN(C)C(=O)N[C@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96186841 NSEXQKZTUATPPB-ARFHVFGLSA-N 321.396 1.829 0 40 DDAB CN(C)[C@H]1COC[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 96186812 XLSTXYOGQDXJQS-KKUMJFAQSA-N 304.390 1.424 0 40 DDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccccc2)[C@@H]2CCCO[C@H]12 96187054 SIIYMHRJDKGNOM-RYRKJORJSA-N 318.417 1.523 0 40 DDAB O=C1CCCN1C[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1 248004693 SLQFQMPFYTXRST-LBPRGKRZSA-N 320.368 1.224 0 40 DDAB CCN1CCC(C(=O)N2CC3(C[C@@H](CCOC)CCO3)C2)CC1 247839015 KFGQSFVZAVZMDL-HNNXBMFYSA-N 324.465 1.762 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1COCCO1 248130498 NAGQNTKJKZJQQS-GDBMZVCRSA-N 304.390 1.659 0 40 DDAB Cn1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257223686 DYMXPZBGJOIGFV-LLVKDONJSA-N 321.406 1.016 0 40 DDAB CN(C)S(=O)(=O)N1CCCC[C@H]1c1ncn2ccsc12 257240361 HTCRWBHIXZFBIT-JTQLQIEISA-N 314.436 1.729 0 40 DDAB CCS(=O)(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 257276416 NTPNZEYXZSJEOM-ZIAGYGMSSA-N 317.382 1.380 0 40 DDAB CN(C)S(=O)(=O)N1CCCC[C@@H]1c1ncn2ccsc12 257240362 HTCRWBHIXZFBIT-SNVBAGLBSA-N 314.436 1.729 0 40 DDAB COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccon2)OC)c1 96390420 KZMYSPQGNBYCPR-GFCCVEGCSA-N 319.317 1.126 0 40 DDAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2C[C@H]2C(=O)O)c1 649457442 PDXMJMGIKYFROA-GHMZBOCLSA-N 317.345 1.045 0 40 DDAB O=C(Nc1ccc2ncccc2c1)N[C@H]1C=CS(=O)(=O)C1 575424851 PDSCHGCHLFMSPN-LBPRGKRZSA-N 303.343 1.667 0 40 DDAB CCc1cc2c(N[C@@H]3C[C@H](C(=O)O)C[C@@H]3O)ncnc2s1 662895838 HNLRRBMRKSTVJN-XROYCOCOSA-N 307.375 1.890 0 40 DDAB O=C(NC[C@]1(OCCO)CCOC1)Nc1ccccc1Cl 664330371 PIUQIFFPOFIHID-CQSZACIVSA-N 314.769 1.630 0 40 DDAB O=C(NCCO)NCC1CCN(Cc2ccccc2F)CC1 72271351 VSZFYUYEIZVLGY-UHFFFAOYSA-N 309.385 1.329 0 40 DDAB C[C@@H](C(=O)NC1CC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 44869279 IBKCPLNBYXSXQU-JTQLQIEISA-N 300.362 1.022 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)cc1F 49390298 OEHPUSFKJKBHTC-HWKANZROSA-N 320.364 1.962 0 40 DDAB COc1cccc2c1CC[C@@]2(N)C(=O)N(C)CC(F)(F)F 1579288000 GXUPMOMGBRWNLQ-ZDUSSCGKSA-N 302.296 1.816 0 40 DDAB CCCC(=O)N1CCC[C@H](C(=O)NCCSCCCO)C1 79109882 NGPLAJIRMPOBKW-ZDUSSCGKSA-N 316.467 1.257 0 40 DDAB NC(=O)c1ccc(CN2CCN(C(=O)C3=CCCC3)CC2)cc1 95414655 PYLUZGFJQYJBID-UHFFFAOYSA-N 313.401 1.540 0 40 DDAB CC[C@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)[C@H]1CCCO1 569336919 SWCWIGFCFCQRPL-CMPLNLGQSA-N 314.363 1.016 0 40 DDAB CCOC(=O)c1nc(-c2ccccc2)[nH]c1N1CCNCC1 575444784 OSGMUMPEWJUKMT-UHFFFAOYSA-N 300.362 1.663 0 40 DDAB O=C(N[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1)C1CC1 1006533391 ZYRWPZVGTBNOJZ-OAHLLOKOSA-N 307.438 1.380 0 40 DDAB CCN(C(=O)CSc1nc(N)cc(N)n1)c1ccc(F)cc1 5689217 ZHDWXPGLBIRBKM-UHFFFAOYSA-N 321.381 1.925 0 40 DDAB Cc1ccccc1COC(=O)CN1C(=O)NC2(CCCC2)C1=O 5874852 FRBRTYIWUQZGSD-UHFFFAOYSA-N 316.357 1.903 0 40 DDAB COCCn1c(SCC(=O)OC)nnc1-c1ccccc1 5045833 JOKOBXMSLZGRLJ-UHFFFAOYSA-N 307.375 1.857 0 40 DDAB COc1cc(OC)c(C2=CCN([C@H](C)C(N)=O)CC2)c(OC)c1 11061558 PCDDJGQZGJOTBY-LLVKDONJSA-N 320.389 1.675 0 40 DDAB O=CN1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 13670387 QPDBPRIATSNART-UHFFFAOYSA-N 320.773 1.083 0 40 DDAB COC(=O)c1ccc(COC(=O)[C@@H](CC(C)C)NC(N)=O)o1 14199730 ZPVXYNNIXSHROM-SNVBAGLBSA-N 312.322 1.192 0 40 DDAB CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9120809 YWVTYJHTKHAPBG-LLVKDONJSA-N 320.345 1.903 0 40 DDAB Cc1nc(CN2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)cs1 548349556 OPYDULFQAWBQJR-GFCCVEGCSA-N 314.418 1.603 0 40 DDAB O=C(O)[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 20019531 RKDUXLDGFOBWQQ-QMMMGPOBSA-N 303.236 1.889 0 40 DDAB COCCNC(=O)COC(=O)CCc1c[nH]c2ccccc12 3457419 LIKKAGZAVGKFCI-UHFFFAOYSA-N 304.346 1.406 0 40 DDAB Cc1ccc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10259717 VHATWFKPKAGYQW-UHFFFAOYSA-N 311.407 1.541 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(F)cc1Cl 5897453 SARNGRGGZWPNLZ-UHFFFAOYSA-N 300.673 1.188 0 40 DDAB COc1ccccc1CN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1 14136286 LYBMLDDFCXPKSE-NSHDSACASA-N 316.409 1.721 0 40 DDAB CCn1ncc(Br)c1C(=O)N[C@@H](C)[C@@H]1CCCO1 2779130 QZZPTTRQEPMMOJ-WPRPVWTQSA-N 316.199 1.963 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1017820992 LDFIIWQBVWZZCO-SMLCLMEVSA-N 313.401 1.149 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)NCc3ccco3)nc2n1 3039240 QEONRLOLEIBUAY-UHFFFAOYSA-N 317.374 1.743 0 40 DDAB Cc1nc(C(=O)N2CC[C@@]3(C2)Cn2ccnc2CN3C)cs1 2055781454 HOBMLVIXBVSUOX-HNNXBMFYSA-N 317.418 1.378 0 40 DDAB CCN1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 19361271 BUTVGCHSCQGEIQ-AWEZNQCLSA-N 324.421 1.081 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@@H]3CCC[C@H]3O)C2)n1 585603747 IEEVSQQWYLKAHE-ZIAGYGMSSA-N 305.422 1.386 0 40 DDAB CCCN(CCC)C(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100667409 JIOVMSDOULQNDD-SDADXPQNSA-N 318.417 1.832 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@@H](C)O1 40513833 GYIAUFXAGTXNEU-VXGBXAGGSA-N 316.361 1.700 0 40 DDAB CN(CCO)Cc1ccccc1-c1nc(CC(=O)O)cs1 31944959 ADJLTCNIMLLDIR-UHFFFAOYSA-N 306.387 1.861 0 40 DDAB COc1cccc(-c2cc(O)n([C@H]3CCS(=O)(=O)C3)n2)c1 101449777 RXPNQAODLJUVOF-NSHDSACASA-N 308.359 1.624 0 40 DDAB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]21 101764843 XMLLJWLJLCSFBK-DUBDDPSESA-N 314.341 1.902 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1O 102634313 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O=C(NCCc1ccc2c(c1)OCCO2)NC[C@@H]1CCOC1 47718548 LIHVNZOKOYKHGX-ZDUSSCGKSA-N 306.362 1.336 0 40 DDAB Cc1ccc(NC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)cc1Cl 9607280 JZYVKHDQHOTDPJ-UHFFFAOYSA-N 308.725 1.977 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)NC[C@H]3CCC[C@H]3O)cc21 108135814 WNYXPZBZFUYBLO-CZUORRHYSA-N 324.446 1.508 0 40 DDAB COC(=O)c1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 177228982 KFWUMCZUHWYHHA-PBHICJAKSA-N 318.417 1.626 0 40 DDAB CCCNC(=O)Cn1c(=O)n(CCC)c(=O)c2ccccc21 57477573 MWUSMWDFETYUAV-UHFFFAOYSA-N 303.362 1.099 0 40 DDAB C[C@@H](CNC(=O)N[C@@H]1CCOc2ccccc21)N1CCOCC1 47865693 CNYLVVOMDFJUQH-DZGCQCFKSA-N 319.405 1.530 0 40 DDAB O=C(CC1(N2CCOCC2)CCCC1)NC1CCC(O)CC1 72794204 WOUWBTJHJWHTIJ-UHFFFAOYSA-N 310.438 1.441 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccn3)no2)C1 109502338 GIDFYFVMWLGCPE-SNVBAGLBSA-N 308.363 1.271 0 40 DDAB CCC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58281811 PXUHXQPDHQXTAI-LBPRGKRZSA-N 323.824 1.809 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2OC)CCO1 44910719 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Cc1cc(C)nc(N2CCC[C@H](c3cc(CCO)n(C)n3)C2)n1 72369179 BOANNMDPUKNFDC-AWEZNQCLSA-N 315.421 1.746 0 40 DDAB NC(=O)COc1ccccc1C(=O)N1CCc2sccc2C1 40489102 UYGZNGIKHFIWFX-UHFFFAOYSA-N 316.382 1.811 0 40 DDAB CC(C)(C)c1noc(CCC(=O)NCC(=O)N2CCCC2)n1 40516184 LFKKGYQYEFBGLG-UHFFFAOYSA-N 308.382 1.038 0 40 DDAB Cc1cc(-c2cc(=O)n([C@@H](C)C(N)=O)nc2-c2ccco2)on1 13226149 AZJUNENAIXKDJN-VIFPVBQESA-N 314.301 1.513 0 40 DDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)C1CC1 13268261 RNZZFAWVHDBENV-UHFFFAOYSA-N 307.357 1.860 0 40 DDAB CCOc1ccccc1C(=O)NCc1nnnn1-c1ccccc1 17315836 HALCDJGJQDGMHV-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB Cn1nccc1C(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 19289082 LLHDDLMWWFUAHW-NSHDSACASA-N 323.356 1.286 0 40 DDAB CCOC(=O)/C=C(/CC(=O)OCC)OP(=O)(OC)OC 1592110 CQTWSCCYVUHLLI-CLFYSBASSA-N 310.239 1.804 0 40 DDAB O=C1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@@H]([C@H]2CCCO2)N1 562552625 MTXLTGYCOGEUNK-SCRDCRAPSA-N 323.780 1.291 0 40 DDAB Cc1ccc(NC(=O)NC(=O)CSc2nnnn2C)c(C)c1 3513020 SAKXRDIOKILVRC-UHFFFAOYSA-N 320.378 1.267 0 40 DDAB Cc1oncc1CN1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 1888844565 IBFLBWGUQAQQJY-GASCZTMLSA-N 311.341 1.604 0 40 DDAB O=C([C@@H]1CN(CCc2ccccc2)CCO1)N1CCCCC1 1888906829 LFSKOBIMXCHMPB-KRWDZBQOSA-N 302.418 1.942 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1ccc(OC)cc1C)C2 1072934867 ZHVMAEXUEXHCFT-UHFFFAOYSA-N 318.417 1.798 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4csnn4)C[C@H]3O2)no1 1565549685 ZICILADXLGIUGZ-JMJZKYOTSA-N 321.362 1.222 0 40 DDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2)N1CCCC1 2055713757 HNJVIOHMCJGTOE-ZDUSSCGKSA-N 316.405 1.304 0 40 DDAB Cc1ccc(CNC(=O)NCCNc2ncccn2)cc1F 40123065 LFTJDUAUWKZKML-UHFFFAOYSA-N 303.341 1.835 0 40 DDAB COc1ccc(C(=O)NCCCN2CCOCC2)c(OC)c1 20229022 BEMHRPUEORHBMJ-UHFFFAOYSA-N 308.378 1.156 0 40 DDAB C[C@@H](C(=O)N1CCNC1=O)n1nnc(-c2ccc(Cl)cc2)n1 31652815 OEOSUVSBLKOSBC-QMMMGPOBSA-N 320.740 1.106 0 40 DDAB CC(=O)NCCNC(=O)c1csc(Cc2ccccc2)n1 40513913 BECJFEWSYBJGQU-UHFFFAOYSA-N 303.387 1.600 0 40 DDAB COC[C@H](C)NC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 40540172 JAUGLSRRNOJFGM-HZMBPMFUSA-N 321.356 1.056 0 40 DDAB CCOC(=O)CCC(=O)Nc1cccc(-n2nnnc2C)c1 40516519 CIDNYMZQZBKMPB-UHFFFAOYSA-N 303.322 1.253 0 40 DDAB CCc1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 32689005 BWPQWCKNKVQLIF-UHFFFAOYSA-N 315.329 1.141 0 40 DDAB O=C(O)c1nn2cc(Br)cnc2c1Br 369395 ZDSYBMKDYXNUMZ-UHFFFAOYSA-N 320.928 1.953 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 41128501 XLZUUXGJKCTFHV-VIFPVBQESA-N 306.749 1.450 0 40 DDAB O=C(CNC(=O)c1ccco1)NCCCOc1ccccc1 52611948 AANHKVMLAJBKCW-UHFFFAOYSA-N 302.330 1.595 0 40 DDAB Cc1ccsc1C(=O)N1CCN(CCN2CCCC2)CC1 52843770 FREPOESVZLMEGU-UHFFFAOYSA-N 307.463 1.910 0 40 DDAB Cc1c(Br)cnn1CC(=O)N[C@H](C)[C@@H]1CCCO1 2779208 QENDJNJPKQOGLG-KCJUWKMLSA-N 316.199 1.638 0 40 DDAB Cn1c(C(=O)NCCNc2ncccn2)cc(Cl)c1Cl 47105056 GBRZDWWTVXZPEM-UHFFFAOYSA-N 314.176 1.964 0 40 DDAB Cc1ccn(-c2ccc(N3CCC4(CC3)OC[C@H](C)O4)nn2)n1 77986314 XKRNBUSBTWHAFA-ZDUSSCGKSA-N 315.377 1.703 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCN1Cc1ccccc1 78875754 MYJVNAMMRLHPNZ-RDJZCZTQSA-N 317.433 1.098 0 40 DDAB CC1(C)COC2(OC1)C1=NS(=O)(=O)C[C@]13CC[C@H]2C3(C)C 1631633 FBPXNLZNHSTVTN-IINYFYTJSA-N 313.419 1.976 0 40 DDAB CN1CCCN(CCCNS(C)(=O)=O)c2cc(F)ccc21 72293971 WCTFGOIZXBQSBJ-UHFFFAOYSA-N 315.414 1.411 0 40 DDAB O=C1CN(CC(=O)Nc2ccccc2-c2ccccc2)CCN1 3540199 NDXZBWUNHLWPJB-UHFFFAOYSA-N 309.369 1.724 0 40 DDAB N=c1c2cnn(-c3ccc(Br)cc3)c2ncn1N 103707080 WSQAKWHPHGADBG-UHFFFAOYSA-N 305.139 1.178 0 40 DDAB O=C1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2N1 814410 KJBMPHXBVQMFMS-UHFFFAOYSA-N 306.318 1.973 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2C)C1=O 23055220 DQIOAQBUBMYJDP-AWEZNQCLSA-N 317.389 1.674 0 40 DDAB CN(C)c1cc(CNC(=O)c2ccnc(-n3cncn3)c2)ccn1 54676086 XEBAVDCOGNKWGB-UHFFFAOYSA-N 323.360 1.053 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)Nc1nccs1 42757216 PAIIRTCCGIOOCS-UHFFFAOYSA-N 319.390 1.696 0 40 DDAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1nncn1C 43137688 QMIFQGNQUFPJLB-QWRGUYRKSA-N 306.370 1.071 0 40 DDAB O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)ccc1Cl 100186052 MEUJYCDUNRJSPF-BJDJZHNGSA-N 319.700 1.481 0 40 DDAB COc1ccc(CCNC(=O)c2cn(C)nc2OC)cc1OC 9069742 ILQZXDCHNIBMJY-UHFFFAOYSA-N 319.361 1.418 0 40 DDAB Nc1ccn(C[C@H](O)COc2cccc3ccccc23)c(=O)n1 1442680 AAKZPZWKFWKYSL-ZDUSSCGKSA-N 311.341 1.419 0 40 DDAB CCOC(=O)c1cnn(-c2ccc(Cl)c(C(=O)O)c2)c1N 3298465 UZGCOCBQEXAELA-UHFFFAOYSA-N 309.709 1.983 0 40 DDAB O=C(NC[C@H]1COCCO1)Nc1ccc2c(c1)OC(F)(F)O2 56574657 MHINQHFVVPATDN-VIFPVBQESA-N 316.260 1.545 0 40 DDAB C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCCO1 26401011 IRUWHTSENYPRKQ-AVGNSLFASA-N 306.362 1.693 0 40 DDAB CCOC(=O)c1cn(C)nc1NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 108390617 DVHVMFFWSNIQJP-GAIPPQHRSA-N 303.362 1.827 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)c1ccc(CNC(N)=O)cc1 48165549 WELUXZAYHLCFSX-UHFFFAOYSA-N 316.361 1.732 0 40 DDAB CC(C)NC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 44457386 AEOSTTZIHKLMDD-UHFFFAOYSA-N 314.430 1.247 0 40 DDAB O=c1n(CCN2CCc3sccc3C2)nc2ccccn12 26913314 LMGYXSFXSCGMNV-UHFFFAOYSA-N 300.387 1.616 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)NC[C@H]1CCOC1 48237294 IQVLIPLBZMTUPI-CYBMUJFWSA-N 301.350 1.103 0 40 DDAB CCN(C(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 58162239 MGQGVEVXXDXCMR-UHFFFAOYSA-N 305.421 1.509 0 40 DDAB CCCc1nc(CN2C(=O)c3ccccc3S2(=O)=O)no1 58158546 OBKPSOIKBUNXTM-UHFFFAOYSA-N 307.331 1.367 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)N1CCCCCC1)c1ccco1 44895796 LNNHTJMGQASKKF-ZDUSSCGKSA-N 315.439 1.593 0 40 DDAB CC(=O)N1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 10297379 RZZBPFDSEMIQSO-ZDUSSCGKSA-N 321.396 1.385 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 58202862 SHIRPMAUWUTSLO-AWEZNQCLSA-N 316.401 1.973 0 40 DDAB CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245463 FVKRVUVHZWKRJT-NSHDSACASA-N 313.423 1.458 0 40 DDAB C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1)C(=O)NC(C)(C)C 72289314 PYZDCCIKEZKWEK-KBPBESRZSA-N 319.449 1.926 0 40 DDAB Cc1ccc(OCCCn2nc(C(N)=O)ccc2=O)cc1C 72291234 ORXDOUDAKAIRSK-UHFFFAOYSA-N 301.346 1.428 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc(CN2CCCC2)cc1 10691225 DLFLEELTPFHTED-UHFFFAOYSA-N 317.433 1.344 0 40 DDAB CN(C)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58380187 QZORRVALZRDTGC-KBPBESRZSA-N 313.357 1.349 0 40 DDAB NC(=O)Cn1cc(NC(=O)CCOc2cccc(Cl)c2)cn1 58311913 DVXHRTIYUYMKIO-UHFFFAOYSA-N 322.752 1.429 0 40 DDAB Cc1cc(NC(=O)CCCn2nnc(-c3ccccc3)n2)[nH]n1 58423653 BWCHXFCPALIHPK-UHFFFAOYSA-N 311.349 1.791 0 40 DDAB O=C(NC1CC1)c1ccc(-n2nnc3ccccc3c2=O)cc1 36357479 XNNJPDGTYHLAOS-UHFFFAOYSA-N 306.325 1.673 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 36733727 CAXONQXTJLNAQX-MRVPVSSYSA-N 304.272 1.376 0 40 DDAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 45741568 DZXGBUKXBPUDRD-CQSZACIVSA-N 308.403 1.122 0 40 DDAB Cc1ccnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 29437688 VDPUTEOVVBPZDB-CQSZACIVSA-N 323.356 1.449 0 40 DDAB Cc1cc(S(=O)(=O)N2CCOCC2)cc2c1NC(=O)C2(C)C 71195989 UEAIYJQQQWPIBM-UHFFFAOYSA-N 324.402 1.246 0 40 DDAB CCOc1ccccc1NC(=O)COC(=O)c1cnccn1 2634416 YNDOCYFQMURWHM-UHFFFAOYSA-N 301.302 1.671 0 40 DDAB COc1ccccc1COC[C@H](O)CNC1CCC(O)CC1 12926744 SQJYCVSUVNEAAO-UYSNPLJNSA-N 309.406 1.466 0 40 DDAB Cc1c(CCC(=O)N(C)CC(=O)O)c(=O)oc2cc(O)ccc12 3863607 VFQUBTHNAUFREA-UHFFFAOYSA-N 319.313 1.283 0 40 DDAB biogenic Cc1noc(C)c1C(=O)OCn1nnc2ccccc2c1=O 5198587 BOBOFRSLEQJMRW-UHFFFAOYSA-N 300.274 1.211 0 40 DDAB CCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4314123 CXMSFDSUAARCMU-UHFFFAOYSA-N 323.356 1.373 0 40 DDAB CC(=O)[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)N(C)C 5375877 IQQXIKJGOJWMOK-SNVBAGLBSA-N 306.347 1.270 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2c(cnn2C)c1=O 14139810 KDWXVNIOCKWZSG-UHFFFAOYSA-N 321.340 1.803 0 40 DDAB CC(C)CNC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14170322 HBRMCLSCBXPXRD-GFCCVEGCSA-N 303.362 1.616 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N(C)CCCc1ccc(OC)cc1 65609097 VYGRWOZYEZNYLP-ZDUSSCGKSA-N 321.421 1.794 0 40 DDAB COC(=O)[C@H](CC(C)C)OC(=O)c1cnc2c(c1)nnn2C 96004177 WSMCHLJSWPGLAE-NSHDSACASA-N 306.322 1.108 0 40 DDAB C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)Cc1ccccc1F 96012575 PHVLRBUZTSZLHF-YPMLDQLKSA-N 307.412 1.354 0 40 DDAB COc1ccc(OC)c(NC(=O)Cn2ccc(C)cc2=O)c1 71513410 RJMLDEXNPYDFNJ-UHFFFAOYSA-N 302.330 1.813 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCC(c2ccc(F)c(F)c2)CC1 95351039 WGMCMAMTFLGFIJ-VIFPVBQESA-N 311.332 1.728 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cncc(C)c1)C2 306134089 NDFCQQXOXLIKMQ-CQSZACIVSA-N 303.406 1.573 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)C1(C)COC(C)(C)OC1 95453086 ZQFPKEBYIQWFLZ-UHFFFAOYSA-N 300.399 1.149 0 40 DDAB CN(C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2)C1CC1 67958125 UQLUTKQGJRJXLP-UHFFFAOYSA-N 309.753 1.704 0 40 DDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1oc(C)nc1C 96484639 XQNNPXVFSHAHMR-CYBMUJFWSA-N 320.320 1.945 0 40 DDAB COCCNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 8184486 JAXMXBHJSCCYRZ-UHFFFAOYSA-N 305.378 1.693 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCCc2nc3ccccc3o2)C1 71815199 VFTWOOMEQGEHDK-NSHDSACASA-N 301.346 1.484 0 40 DDAB O=C(Cn1cnnn1)Nc1ccccc1C(=O)c1ccccc1 27977833 QGLBUSOUIWFZDK-UHFFFAOYSA-N 307.313 1.543 0 40 DDAB CC(C)(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)no1 69436949 KWCSUMOCKJRQPJ-LBPRGKRZSA-N 305.382 1.465 0 40 DDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(Cl)s1 71972646 XYFKRTMHPCPWQD-SSDOTTSWSA-N 306.800 1.360 0 40 DDAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)N1CCSCC1 69698415 PMISXJTZUZBSLX-GFCCVEGCSA-N 321.446 1.446 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cccc(OCC(N)=O)c2)c1 69742558 JAXOFKKKAUHUQR-KGLIPLIRSA-N 316.405 1.795 0 40 DDAB COc1ccc(CN(C)CC2CCN(CCO)CC2)cc1F 69738465 RWSRJYIIDUZMPY-UHFFFAOYSA-N 310.413 1.970 0 40 DDAB CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(C)c3)n[nH]2)c1C 95480150 VNAOOJVOYRYESZ-UHFFFAOYSA-N 313.365 1.896 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](CO)CC(C)C)cc1N(C)C 95432900 SVGFRBLNRNZAFD-ZDUSSCGKSA-N 314.451 1.746 0 40 DDAB O=C1C[C@H](COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CN1 97094588 GWLLGJIOGLMGRU-VIFPVBQESA-N 303.293 1.509 0 40 DDAB CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 95996360 AZFIRPRPVFGTHK-SCZZXKLOSA-N 306.332 1.771 0 40 DDAB NS(=O)(=O)c1ccc(NCC2(O)CCC2)c(C(F)(F)F)c1 74749086 YCCBHKCGWXZHHY-UHFFFAOYSA-N 324.324 1.680 0 40 DDAB CN(CCCOc1ccc(F)cc1)C(=O)C1=NNC(=O)CC1 89346056 SWMMQTKPUDTDKT-UHFFFAOYSA-N 307.325 1.319 0 40 DDAB COCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cs1 89420400 GKYRSEITAYOAOD-LLVKDONJSA-N 320.370 1.715 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)c2nccnc2N)C1 75131802 BNKADPATOUKEMB-NSHDSACASA-N 300.366 1.295 0 40 DDAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)C[C@H]1CCCO1 75111304 UVFPQADKZWAETM-WCQYABFASA-N 322.390 1.317 0 40 DDAB Nc1ccc(N2CCN(c3ccccc3O)CC2)c(C(=O)O)c1 408712806 SQWWTDONLMDKEN-UHFFFAOYSA-N 313.357 1.999 0 40 DDAB CCn1cc(C(=O)NCCCO)c(=O)c2cc(OC)ccc21 22235668 INVOHFFKRONCIC-UHFFFAOYSA-N 304.346 1.142 0 40 DDAB CC[C@H](C)NC(=O)COc1c(OC)cc(C(=O)O)cc1OC 217730752 IFICQRXLIFMCAF-VIFPVBQESA-N 311.334 1.696 0 40 DDAB CC(C)(C)OC(=O)NC(=N)N(OCCN)C(=O)OC(C)(C)C 36377890 GOCYEBPOQCCUSY-UHFFFAOYSA-N 318.374 1.573 0 40 DDAB CC(C)N1CCN(S(=O)(=O)c2cncc(Cl)c2N)CC1 72210801 VHBZMWOZSHTYHB-UHFFFAOYSA-N 318.830 1.032 0 40 DDAB CCS(=O)(=O)N1CCC(n2nnc3cc(F)ccc32)CC1 35314548 PDIVXUYIGIUXJJ-UHFFFAOYSA-N 312.370 1.557 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 72238124 ZBTHMYZFGJXUPP-SMDDNHRTSA-N 308.403 1.516 0 40 DDAB COc1ccc(-c2noc(N3CC[C@]4(CCNC4)C3)n2)cc1 561270319 NTIZQWIQNHAJNJ-INIZCTEOSA-N 300.362 1.935 0 40 DDAB CC(C)COCCCNC(=O)Nc1cccc(-n2cnnn2)c1 40477756 PGOVXYWHSJBBHD-UHFFFAOYSA-N 318.381 1.847 0 40 DDAB Cc1cccc(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)n1 195566816 UYMPETARBTZTOQ-OAHLLOKOSA-N 302.422 1.380 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C[C@H](CO)O1 191658955 OTLWKVILVLPTQF-JLLWLGSASA-N 324.343 1.899 0 40 DDAB COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cc1c(C)nn(C)c1C 225526667 OFFRLVRMNZKNHG-WWGRRREGSA-N 319.405 1.380 0 40 DDAB O=C(c1ccccn1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058675 CXFYQRLWRGKEQM-CYBMUJFWSA-N 324.384 1.617 0 40 DDAB Cn1nc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1C1CC1 96099314 LYRNECOFQLYMNG-INIZCTEOSA-N 313.357 1.754 0 40 DDAB CC(C)c1nnc2n1C[C@H](Nc1ncnc3c1cnn3C)CC2 97199310 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Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)C[C@@H](C)O)c1C 51820506 JEZHBLNLXPEZPN-SECBINFHSA-N 301.364 1.003 0 40 DDAB Cn1cc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)cn1 257272363 NCDJIGMYILKFJJ-MRXNPFEDSA-N 315.377 1.556 0 40 DDAB O=C(CC1(O)CCCCC1)N1CCC[C@@H](c2ccnc(O)n2)C1 257316344 VFECYGKJYFVDLV-CYBMUJFWSA-N 319.405 1.974 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CC[C@H](Cc3ncccn3)[C@H]2C1 257284665 PDSIAUSNECUINR-MGPQQGTHSA-N 309.373 1.608 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252584925 DVLKNKQJLGHMHK-NQLMQOPMSA-N 300.402 1.934 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccsc3)CCO2)n1 257330846 XQHAEURXKXWMJH-LLVKDONJSA-N 305.359 1.766 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCNC[C@H]1c1ccccc1 257282175 OSRMHJIBBLCSBJ-AWEZNQCLSA-N 320.418 1.064 0 40 DDAB CN(C)c1ccc(N2CCC(C)(C(=O)NCC3CC3)CC2)nn1 257227875 FRIMQAADNULQEV-UHFFFAOYSA-N 317.437 1.675 0 40 DDAB CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)OC)c1ccc(OC)cc1 252492479 MNLUGXHEIRZAJC-YUELXQCFSA-N 321.373 1.324 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCOC2(CCOCC2)C1 90608826 XLLIJPVHLZPXQW-UHFFFAOYSA-N 305.330 1.437 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccco2)C1 575406288 WNEHNDHYRQFSQW-CQSZACIVSA-N 316.361 1.476 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cocn1 585288178 PUUVWNIOTLAFNP-BLLLJJGKSA-N 321.377 1.353 0 40 DDAB COCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 27932468 NMEPBNAXUOXQIX-ZDUSSCGKSA-N 315.391 1.169 0 40 DDAB C[C@H]1CNCCN1S(=O)(=O)c1ccccc1OC(F)(F)F 54371440 QOAQPJMPQRTJDN-VIFPVBQESA-N 324.324 1.568 0 40 DDAB O=C(c1ccco1)N1CCC(Nc2nccn3cnnc23)CC1 72304123 AMYXXTSMIOUWHU-UHFFFAOYSA-N 312.333 1.434 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)N1C[C@H]2CC=CC[C@H]2C1 74220034 HBEHBBVRSRDKES-UPJWGTAASA-N 300.424 1.417 0 40 DDAB CC[C@@H](C)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58365058 YZCYWEPYFCTYNO-OAHLLOKOSA-N 317.433 1.888 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc3cc[nH]c23)C1 92771688 HHTQQVIJYZLRLR-LBPRGKRZSA-N 321.402 1.322 0 40 DDAB CSc1cccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c1 5962273 UUPOHGWOFHWWGP-UHFFFAOYSA-N 318.354 1.837 0 40 DDAB CCc1nn(CC(=O)N(C)C)c(=O)c2cc3sc(C)cc3n12 12115408 ROMDOXFJVCFPEY-UHFFFAOYSA-N 318.402 1.670 0 40 DDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)N2N1 14607165 VCNDVRWHSIKBFM-GFCCVEGCSA-N 313.361 1.250 0 40 DDAB CN(C)S(=O)(=O)c1ccc(SC[C@H]2CCCO2)nc1 11598545 QFWQEYKUIUEPOX-SNVBAGLBSA-N 302.421 1.603 0 40 DDAB CC(C)[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NC(N)=O 5656136 HTPDSXLLTYNUTF-SNVBAGLBSA-N 313.741 1.299 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2cc(C3CC3)ncn2)n1 1888850008 KTKUQNSKKOOGPJ-UHFFFAOYSA-N 303.347 1.091 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520170 NRTDYHYIYVSCDA-MSOLQXFVSA-N 323.396 1.807 0 40 DDAB CN=c1[nH]c([C@@H]2CCCN2C(=O)CCOC)c2sccn12 2037838622 RPBVVCWNNNSRBN-JTQLQIEISA-N 308.407 1.559 0 40 DDAB CSc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1 9855638 VKHGDRQTBNOTNT-UHFFFAOYSA-N 318.402 1.750 0 40 DDAB CCC(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745819 DRGXHAMUPCIMAH-LLVKDONJSA-N 305.378 1.731 0 40 DDAB O=S(=O)(NC[C@@H]1CCCN1c1nccs1)c1cccnc1 206782875 FTLDUMLCLZDBMV-NSHDSACASA-N 324.431 1.485 0 40 DDAB O=C(NCCOCCn1cccn1)[C@@H]1CCc2ccccc2O1 575619898 PGWPMLAQNRBSRJ-INIZCTEOSA-N 315.373 1.410 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](O)c1ccoc1 75171848 HENOJOZUEFGRTA-NSHDSACASA-N 315.322 1.439 0 40 DDAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30175832 NVHWCTMGZKMPHL-HZMBPMFUSA-N 319.361 1.267 0 40 DDAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)c1cnccn1 30888188 NFJRZYXLGPKIAB-UHFFFAOYSA-N 314.345 1.713 0 40 DDAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NC3CC3)C2=O)cc1 20290836 SIQKZNOJWUODIJ-UKTHLTGXSA-N 315.329 1.304 0 40 DDAB O=C1CCc2cc(S(=O)(=O)NCC[C@@H]3CCCO3)ccc2N1 40489960 BMAVOYZWSFJTSA-LBPRGKRZSA-N 324.402 1.419 0 40 DDAB Cc1ccccc1NC1CCN(c2ccc3nnnn3n2)CC1 50955446 FFNQNBOAGFYNJZ-UHFFFAOYSA-N 309.377 1.909 0 40 DDAB NC(=O)CC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 40542680 FRHVXARAZJAIRW-UHFFFAOYSA-N 318.299 1.016 0 40 DDAB Cc1ccoc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 31939156 QAFPZXWBJWXBGE-OAHLLOKOSA-N 310.419 1.526 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(C)c2C)C1 20573434 SAYRDHUFFFXCRK-UHFFFAOYSA-N 314.389 1.738 0 40 DDAB CCOC(=O)CN1C(=O)C[C@H](c2ccc(OC(C)C)cc2)C1=O 266578 YZWSDYCXIUSQAG-CQSZACIVSA-N 319.357 1.879 0 40 DDAB C[C@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)oc1=O 20959742 QYDXRJAPBLDGGB-JTQLQIEISA-N 307.375 1.966 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1Cl 32415167 CWHNIPSQVDPCSW-LBPRGKRZSA-N 316.810 1.677 0 40 DDAB CCCCCNC(=O)c1nn(-c2ccc(C)cc2)nc1CO 21172648 MOHLNZIGYGAPLJ-UHFFFAOYSA-N 302.378 1.988 0 40 DDAB CC(C)(C)c1nnc(SCC(=O)c2ccccc2)n(N)c1=O 351503 OQRHZAAKVGLWAJ-UHFFFAOYSA-N 318.402 1.625 0 40 DDAB CCOC(=O)Cn1c2c(n(C3CCCCC3)c(=O)c1=O)CCC2 41124469 WXGWQNCPPRDGJZ-UHFFFAOYSA-N 320.389 1.567 0 40 DDAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)nc1 32914196 DSCAVAIVJCRCHS-UHFFFAOYSA-N 321.358 1.676 0 40 DDAB CCN(CC)C(=O)CSc1nnc(-c2ccc(F)cc2)n1N 524023 LVOGOCJFCUYRJW-UHFFFAOYSA-N 323.397 1.759 0 40 DDAB Cn1cc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1 78789829 UTIRHCILQKMXTE-OAHLLOKOSA-N 313.405 1.541 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n[nH]1 78900697 PXOSBDNVYHNEDP-VXGBXAGGSA-N 320.393 1.174 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCCC[C@H]2O)cc1 6204998 MTGRWHDDDGKLLX-QWHCGFSZSA-N 312.391 1.286 0 40 DDAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1nccnc1N 23239171 PABUCSXKYHYHBJ-UHFFFAOYSA-N 308.288 1.932 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@H](C)O1 54304134 WFWZGJJLQPYVJM-RYUDHWBXSA-N 303.362 1.466 0 40 DDAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c(C)[nH]1 23436357 HMFAMDXUIVTCGI-CQSZACIVSA-N 307.375 1.242 0 40 DDAB CCN(CC)S(=O)(=O)N[C@@H](c1ccccc1)c1nccn1C 23404120 OMNTVNAZHYMJKC-AWEZNQCLSA-N 322.434 1.686 0 40 DDAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCCCC1 8345346 FHVHGCHSHXQIIW-UHFFFAOYSA-N 307.369 1.709 0 40 DDAB CN(Cc1cccs1)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 103066232 FRNUCBSGMNMOSE-BETUJISGSA-N 318.398 1.658 0 40 DDAB CCOc1ccccc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 103037315 NOHBWARAZIUZQW-CMPLNLGQSA-N 312.416 1.739 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)[C@@H]3C[C@@H]3c3ccccc3)c12 57279817 PFRFSJMZDWSWFG-HUUCEWRRSA-N 323.400 1.998 0 40 DDAB Cc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)on1 21603041 XIIMAUHPWGSUDC-UHFFFAOYSA-N 321.358 1.775 0 40 DDAB CC(C)c1ccc(CCNc2nn(C)c(=O)n(C)c2=O)cc1 9613770 QVPWOJCNMKXDEB-UHFFFAOYSA-N 302.378 1.257 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1F 9993188 MJPGCEYXHOZDCA-UHFFFAOYSA-N 301.749 1.486 0 40 DDAB CS(=O)(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 108533507 RDOOGGSCYPCJAO-UHFFFAOYSA-N 300.424 1.061 0 40 DDAB CCCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617297 QJLDHECKVALONY-UHFFFAOYSA-N 320.418 1.200 0 40 DDAB CONC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 25826749 NZCYAYLONDMJAB-SNVBAGLBSA-N 318.420 1.135 0 40 DDAB CNC(=O)NC(=O)CCSc1nnc(-c2cccnc2)o1 44092701 HUSRXMLRBHHMDR-UHFFFAOYSA-N 307.335 1.069 0 40 DDAB C[C@@H]1OCC[C@@H]1[S@@](=O)[C@H](C)C(=O)N1CCc2ccccc2C1 108487154 AXHGTLVUHWPWLJ-FJQNZALGSA-N 321.442 1.886 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1ccccc1S(C)(=O)=O 48265448 OPFKIBQSXXGWCT-GFCCVEGCSA-N 311.403 1.589 0 40 DDAB COc1cc(C(=O)NCCCn2ccnc2)cc(OC)c1OC 1876886 DXNAQHAXGZQAAO-UHFFFAOYSA-N 319.361 1.729 0 40 DDAB COc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCCC3)cc1OC 1900135 SFLIOPRZSHVIRH-UHFFFAOYSA-N 316.357 1.825 0 40 DDAB COC(=O)c1c(C)cccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 58014284 WNXSLSRYGQOGEQ-GFCCVEGCSA-N 318.373 1.977 0 40 DDAB CN(Cc1ccccc1)C(=O)CNC(=O)c1cc(C2CC2)[nH]n1 58138308 JBVIOPDBRVAPAH-UHFFFAOYSA-N 312.373 1.676 0 40 DDAB CCN(CC(=O)NCC(=O)Nc1cc(C)ccc1OC)C(C)C 58186418 VIPVPTAFOQWBPA-UHFFFAOYSA-N 321.421 1.789 0 40 DDAB CS[C@@H](C)C(=O)N1CCC(NC(=O)c2ccncc2)CC1 58245314 OIMPLXVLOXZYPT-NSHDSACASA-N 307.419 1.554 0 40 DDAB Cc1csc2ncc(C(=O)NCCCOC(C)C)c(=O)n12 20767567 SZMQYBJCYYBGEN-UHFFFAOYSA-N 309.391 1.609 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)Cn1cnc2ncccc2c1=O 58278566 COUHQCZHWPJQFW-ZDUSSCGKSA-N 322.368 1.977 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12772939 VOMGFTWDOAYAFW-CZUORRHYSA-N 315.417 1.862 0 40 DDAB O=C(NCCc1ccccc1F)NC[C@H]1CCS(=O)(=O)C1 44910297 KYPHKVJMWYDFAD-LLVKDONJSA-N 314.382 1.102 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)C(=O)N1CCCCC1 57219548 GVSWBUHCOMZSSY-ZDUSSCGKSA-N 320.437 1.487 0 40 DDAB O=C(Nc1cccc2c1CCCC2)N[C@@H]1CCS(=O)(=O)C1 48374975 XOVSPWHYFMXHTG-GFCCVEGCSA-N 308.403 1.874 0 40 DDAB CN(C)CCNc1c(NCc2cccc(Cl)c2)c(=O)c1=O 101694488 LVELNFNHOIBODJ-UHFFFAOYSA-N 307.781 1.522 0 40 DDAB Cc1ccc(-c2n[nH]c(NC(=O)C3=NN(C)C(=O)CC3)n2)cc1 28856393 ZURHQPAMMUSLCI-UHFFFAOYSA-N 312.333 1.327 0 40 DDAB CCN1C(=O)C(=NNc2ccccc2Cl)C(=O)N(CC)C1=O 103462165 URAMOKSGUAWRLU-UHFFFAOYSA-N 322.752 1.939 0 40 DDAB NC(=O)CN1CCC(NC(=O)CCc2ccccc2Cl)CC1 45890477 RDCVSVBDSOCJPF-UHFFFAOYSA-N 323.824 1.339 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594681 OPBUVWKNKMCVQG-GTNSWQLSSA-N 315.373 1.295 0 40 DDAB CCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 62885268 ODJIBQCMIGQTST-LBPRGKRZSA-N 306.362 1.062 0 40 DDAB NC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)s2)C1 49008646 IXIDWUGDMRWAMB-SECBINFHSA-N 315.826 1.851 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)N2CCO[C@H](C)C2)c1 25768840 PMQPSDIVFRWGSR-SNVBAGLBSA-N 301.364 1.113 0 40 DDAB C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC 13635537 YLOPSWHAVDXWHN-FNORWQNLSA-N 308.407 1.892 0 40 DDAB CN([C@H]1CCNC1)S(=O)(=O)c1cc(Cl)ccc1Cl 71310498 OSLFWGZBTOWHMH-VIFPVBQESA-N 309.218 1.976 0 40 DDAB COc1cc(C(=O)N2C[C@H](C)OC[C@H]2C)cc2c1OCCO2 65434704 DNIHWOXSTWTMRZ-MNOVXSKESA-N 307.346 1.716 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)NC1CCN(c2ncccn2)CC1 65403035 QJFGNCOQRUROIG-UHFFFAOYSA-N 315.381 1.607 0 40 DDAB COc1ccccc1S(=O)(=O)N(CC(=O)NC1CC1)C1CC1 65531514 NKAHKWOBILDYND-UHFFFAOYSA-N 324.402 1.127 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 306123441 ANAMKYNQQDENRW-RDBSUJKOSA-N 302.374 1.734 0 40 DDAB O=C(NC[C@@H]1CCCN1Cc1ccccc1)NCC1(O)CCC1 95399597 AYFLMKYSJTVFPF-INIZCTEOSA-N 317.433 1.865 0 40 DDAB CCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCOC 6669543 YMOUCMNYAJFOIG-UHFFFAOYSA-N 316.336 1.930 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1cc(F)ccc1Cl 66579496 JBOATDKTDSZKIA-QMMMGPOBSA-N 318.761 1.438 0 40 DDAB O=S(=O)(NCCCn1ccnc1)c1ccc2c(c1)OCCO2 4912840 HWRWDTBGZPPRHC-UHFFFAOYSA-N 323.374 1.023 0 40 DDAB Nc1nnc(SCC(=O)NCCc2cccs2)s1 7753504 HYAMYMNIXAQHRG-UHFFFAOYSA-N 300.434 1.633 0 40 DDAB CCc1c(C(=O)N2CCCN(C(C)=O)CC2)cnn1C(C)(C)C 71820846 ZOZQNAXIMVKVJY-UHFFFAOYSA-N 320.437 1.895 0 40 DDAB COCCOc1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1 69515981 AVNRMBFXHSKBLG-AWEZNQCLSA-N 320.389 1.582 0 40 DDAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(N)=O)C1=O 71855257 IOQNRDVFSSFGKW-INIZCTEOSA-N 321.352 1.638 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2C)C1 71870628 MVMJETVUTADWGI-UONOGXRCSA-N 322.434 1.276 0 40 DDAB CC(C)N1C[C@@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CC1=O 71865237 IPHBZSZLNBXGHC-GJZGRUSLSA-N 318.421 1.521 0 40 DDAB Cc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2 69742624 DEJMDOKKSBEFGS-UHFFFAOYSA-N 300.362 1.188 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1 69874014 UTGQQZMXFOWQDF-CYBMUJFWSA-N 310.361 1.712 0 40 DDAB CCc1n[nH]c([C@H]2CN(CCc3scnc3C)CCO2)n1 83830146 ZGEHKMJQLFHQFS-LLVKDONJSA-N 307.423 1.748 0 40 DDAB CSCc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1 69980707 FPGGFVPRCMUVHQ-CYBMUJFWSA-N 308.447 1.688 0 40 DDAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2c(C)noc2N)cc1 8735079 UQMDLQOMOMSSSQ-NSHDSACASA-N 317.345 1.735 0 40 DDAB CN(CCNC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1 95444957 RKJQLFGGDMVEKU-QGZVFWFLSA-N 317.433 1.939 0 40 DDAB COC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2nccn2C)c1C 95427150 SXLHOOKBMRDLSV-UHFFFAOYSA-N 304.350 1.424 0 40 DDAB O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cnn(Cc2ccccc2)c1 97039280 SLKRAXLAOJSCIE-HIFRSBDPSA-N 313.357 1.915 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cncn1)Nc1ccncc1 72253353 ZBFQTUFWYFEQQZ-AWEZNQCLSA-N 300.366 1.166 0 40 DDAB COc1ccc(-n2cc(CNC(=O)c3ccccn3)nn2)cc1 87424661 HYQQIEIZTXVPFT-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB COc1ncccc1C(=O)N1CCOC[C@@H]1c1cccn1C 97144148 BCCCKNCJMZHHTM-CQSZACIVSA-N 301.346 1.642 0 40 DDAB CNC(=O)CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F 97164511 QCRKAIPZWNSEAN-UHFFFAOYSA-N 318.251 1.323 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[C@@H]2C)CC1 74125480 BWANREIVGWCZFD-PMPSAXMXSA-N 310.486 1.748 0 40 DDAB CCc1nc(CN2CCN(CC(=O)N3CCCC3)CC2)cs1 89289936 UJZQAKWTSSRQRR-UHFFFAOYSA-N 322.478 1.446 0 40 DDAB CN(Cc1cnccn1)S(=O)(=O)c1ccc2cn[nH]c2c1 89364867 NFHJNSYJJXDXQR-UHFFFAOYSA-N 303.347 1.174 0 40 DDAB Cc1noc(-c2ccc(=O)n(CC(=O)Nc3cc(C)on3)c2)n1 75165592 ZQIFIYHYGDLXFX-UHFFFAOYSA-N 315.289 1.142 0 40 DDAB Cc1cc(CN(C)C(=O)NCC(C)(C)N2CCN(C)CC2)no1 89601072 CAJSWKZHKISUCH-UHFFFAOYSA-N 323.441 1.150 0 40 DDAB Cc1nc(CN2CCCN(Cc3nc(C)c(C)o3)CC2)no1 75603098 JCMAUAUZPQYBAC-UHFFFAOYSA-N 305.382 1.691 0 40 DDAB O=C(Cc1cnn2ccccc12)Nc1c[nH]nc1[C@@H]1CCNC1 1553846643 RMZBRYXSYBJPRJ-LLVKDONJSA-N 310.361 1.316 0 40 DDAB Cc1noc2ncnc(NC(c3nccn3C)c3nccn3C)c12 528134822 ZUZPPNCLDLOASI-UHFFFAOYSA-N 324.348 1.595 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)c1cccc(Br)c1 21009459 UEWNDHGPTBJUTC-UHFFFAOYSA-N 311.179 1.800 0 40 DDAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1cccnc1 1565522257 FFRMMZJPHZWNOE-AWEZNQCLSA-N 308.359 1.177 0 40 DDAB Cc1ccc(-c2nc(=O)n(CC(N)=O)c3sc(C)nc23)cc1 32615539 FKBBPTPANZBTSS-UHFFFAOYSA-N 314.370 1.622 0 40 DDAB CCc1nc(CN(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)cs1 561401413 SHAXFXQWPFUYRT-SNVBAGLBSA-N 319.434 1.598 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(CCC(=O)O)C1CC1 314554879 LDQVFFKSQDOIAW-MEBBXXQBSA-N 305.330 1.681 0 40 DDAB Cc1cc2c(N)nc(=O)n(CC(=O)Nc3ccccc3)c2s1 40286927 UVRSAZTYDIJKLO-UHFFFAOYSA-N 314.370 1.987 0 40 DDAB Cc1ccc2cnn(CCC(=O)NCCC(=O)N(C)C)c2c1 223292941 ZGBPFKARIKURNW-UHFFFAOYSA-N 302.378 1.329 0 40 DDAB COc1cncc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)O)C2)c1 572154304 NHFAQWJWKKZHGW-NXEZZACHSA-N 314.363 1.012 0 40 DDAB Cc1sc(C(=O)N(C)C[C@H](C)c2nnn[nH]2)cc1[N+](=O)[O-] 195562618 ASQXOJMNWVQVMD-LURJTMIESA-N 310.339 1.354 0 40 DDAB CN1C[C@@H]2Oc3cc(-c4cnn(C)c4)ccc3C(=O)N(C)[C@@H]2C1 514289641 MQEIMHBIIRLOTF-ZBFHGGJFSA-N 312.373 1.234 0 40 DDAB biogenic,in-vitro O=S(=O)(c1c(F)cccc1Br)N1CC[C@@H](O)C1 96483476 DOJCUBRVVBEUCT-SSDOTTSWSA-N 324.171 1.344 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2C1 96081456 NEWHRPAQHXJNHG-LSDHHAIUSA-N 311.389 1.399 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)nc1 96047709 QRLJTIWYCFLBEX-GOEBONIOSA-N 300.362 1.915 0 40 DDAB CC1CCN(C[C@@H](O)CSc2nnc(N(C)C)s2)CC1 96501755 JBCUEMZPCXVVNF-LLVKDONJSA-N 316.496 1.789 0 40 DDAB O=C1CCCN1C[C@@H]1CN(C2CCOCC2)Cc2nccn2C1 96066989 ZFIPIMYJIIPIDR-CQSZACIVSA-N 318.421 1.116 0 40 DDAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)c1cccc(OC)c1)C2 96219911 WOFUINHXQAEQMD-CRAIPNDOSA-N 318.417 1.736 0 40 DDAB Cc1cccc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)n1 97096580 ASRKQDFVEUMSIL-UHFFFAOYSA-N 316.449 1.771 0 40 DDAB COC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2c1cnn2C 96068256 KKNGYOCFJTZPLU-LBPRGKRZSA-N 302.378 1.751 0 40 DDAB Cc1ccc(OC[C@@H](C)NC(=O)c2nc(C)c(C)[nH]c2=O)cc1 95449155 GCLXPMJHNZXODZ-LLVKDONJSA-N 315.373 1.892 0 40 DDAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NCC1(CO)CC2(CCC2)C1 330336629 SOPCHAOQTIILBL-ZIAGYGMSSA-N 315.479 1.875 0 40 DDAB C[C@@H](Cn1cncn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 96497183 BGVBGLSEVHRDJI-STQMWFEESA-N 309.414 1.656 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)c1ccccc1 96296106 URYDPJQNQWRJML-OAGGEKHMSA-N 304.390 1.077 0 40 DDAB biogenic,in-vitro CCS(=O)(=O)[C@@H](CO)[C@H](O)c1ccc(Br)cc1 96521910 KEELRTVWHGKTKP-WDEREUQCSA-N 323.208 1.278 0 40 DDAB COCCN1CCN(C(=O)c2cnoc2C)Cc2cccnc21 96100119 VWVUUQYRFOMDCL-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB Cn1cc(CN2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)cn1 96059855 WRZIGSQNTZCAEH-MRXNPFEDSA-N 315.421 1.680 0 40 DDAB CCN(CC)Cc1cn2c(n1)CN(C(=O)c1cnccn1)CC2 96197186 KWZNQFFXHRXKBX-UHFFFAOYSA-N 314.393 1.171 0 40 DDAB c1cnc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 96206558 KZXUQJNSTBADES-CQSZACIVSA-N 322.372 1.784 0 40 DDAB O=C(c1ncccn1)N1CC2(C[C@H](OCC3CC3)CS2)C1 247840219 FCOGRDLGARAEJO-LBPRGKRZSA-N 305.403 1.603 0 40 DDAB COC(=O)c1ccc(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)cc1 241173081 KFWUMCZUHWYHHA-RHSMWYFYSA-N 318.417 1.626 0 40 DDAB Cn1cncc1-c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257201481 AHVZKIOFOOKRIW-GFCCVEGCSA-N 320.418 1.621 0 40 DDAB Cc1cc(CN(C)C(=O)C[C@@H](NC(N)=O)c2ccccc2)no1 25138100 JQWHXLPOZDXEOV-CQSZACIVSA-N 316.361 1.741 0 40 DDAB CCn1nc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)cc1C 257261580 LHYILCIEJDTCMU-ZDUSSCGKSA-N 303.366 1.457 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cscn2)n1 257338546 YXWZJBVUQOVFCP-NSHDSACASA-N 319.390 1.497 0 40 DDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)/C=C/c1cccs1)CC2 253474060 BGKMZEFUSGQCJL-HOSRBBHYSA-N 315.398 1.529 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2 257173233 HFGLOMIJSPOYPY-UHFFFAOYSA-N 312.373 1.804 0 40 DDAB CC(=O)NCC(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252553193 VHMIMKXJWKQMRQ-CQSZACIVSA-N 313.357 1.351 0 40 DDAB COc1c(S(=O)(=O)n2cncn2)ccc(Cl)c1Cl 256055432 GWPGAOXTPJVVIY-UHFFFAOYSA-N 308.146 1.831 0 40 DDAB CC(C)Oc1ncccc1C(=O)NCC(=O)NCc1ccco1 252488124 IKSITZCDTZZWBT-UHFFFAOYSA-N 317.345 1.508 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1 257237106 HFEUCFAYVWOHGU-AWEZNQCLSA-N 313.405 1.987 0 40 DDAB O=C(c1cccc([C@@H]2CCOC2)c1)N1CC[C@@](F)(C(=O)O)C1 263360966 UDYFVSIHYQFTRN-CJNGLKHVSA-N 307.321 1.829 0 40 DDAB O=C(/C=C/c1ccco1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829166 WUCXTQFZJHMNSH-ITDFMYJTSA-N 303.293 1.902 0 40 DDAB COC[C@H](C)NC(=O)[C@@H]1CCN(c2ccc(C)c(C)c2)C1=O 65536785 WHQXJFHAZFMOFG-ZFWWWQNUSA-N 304.390 1.807 0 40 DDAB O=C(Cn1nnc(-c2cc3ccccc3o2)n1)NCc1ccco1 69813979 UUTLZKRUJLOWLC-UHFFFAOYSA-N 323.312 1.996 0 40 DDAB COc1ccccc1CN[C@H]1CCN(S(C)(=O)=O)C[C@H]1C 72300608 NKWGINGTZLPXAF-OCCSQVGLSA-N 312.435 1.455 0 40 DDAB O=C(Nc1nncs1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 44944900 YVJXWEYNSNMKSK-QWRGUYRKSA-N 312.395 1.730 0 40 DDAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)C1CC1 1775964207 WVMGFGDCMGQQJT-NSHDSACASA-N 304.350 1.169 0 40 DDAB biogenic,in-vitro NS(=O)(=O)c1cnc(N2CCc3sccc3C2)s1 84618314 IXOXLKUUJHBTGX-UHFFFAOYSA-N 301.418 1.415 0 40 DDAB COc1cccc2cc(C(=O)N3CCN(C[C@@H](C)O)CC3)oc12 85436796 WHWUWXQUGXTFFB-GFCCVEGCSA-N 318.373 1.580 0 40 DDAB O=S(=O)(N[C@H](CCCO)c1ccccc1)N1CCCCC1 96483531 CSDBEZJQCOMBQS-OAHLLOKOSA-N 312.435 1.821 0 40 DDAB Cc1cc(NC(=O)CN2CCC(c3cnn(C)c3)CC2)no1 97202767 WZWZTYGADLBCLP-UHFFFAOYSA-N 303.366 1.535 0 40 DDAB CCc1nc(CC(=O)N=c2ccn([C@H]3CCNC3)[nH]2)cs1 548672791 KJZHVRDBHCWIHP-NSHDSACASA-N 305.407 1.040 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCC1CCC2(CC1)OCCO2 96446853 POEGQGGORPGDIO-UHFFFAOYSA-N 321.421 1.629 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc1OC 496632 MNLSDZHZIMKOGI-GQCTYLIASA-N 318.373 1.441 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 13154244 DZWMBXNPBAFQCI-DGAVXFQQSA-N 321.329 1.521 0 40 DDAB Nc1nonc1C(=O)Nc1ccc(F)c(Br)c1 164010954 SDEQEEOSVGQMNZ-UHFFFAOYSA-N 301.075 1.806 0 40 DDAB CCCCn1cc(CNC[C@@H]2COC[C@@H](OC)[C@H]2O)c(C)n1 643585353 BNLKEHBNBDQDNI-OAGGEKHMSA-N 311.426 1.104 0 40 DDAB COCCn1c(S[C@H](C)C(N)=O)nnc1-c1cccc(C)c1 4580576 FIHXNDGLXKCYIU-LLVKDONJSA-N 320.418 1.866 0 40 DDAB O=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc[nH]1 6886422 URQMQEXBQNLLBM-UHFFFAOYSA-N 304.277 1.310 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Sc2nnnn2CC(C)C)on1 21916593 SHCSHZAWCITALK-SECBINFHSA-N 310.383 1.745 0 40 DDAB O=C1CC[C@]2(CCCN(C(=O)CCc3cncnc3)CC2)N1 1614934877 SFAREZOHKUWZOV-INIZCTEOSA-N 302.378 1.071 0 40 DDAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)C4(F)CC4)C3)C2)cn1 1565552139 PGIJGKUGKTXMMW-UHFFFAOYSA-N 320.368 1.033 0 40 DDAB CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@H]1CCOC1)C2 1565552439 UFCBTIDNCUFPLX-LBPRGKRZSA-N 306.410 1.404 0 40 DDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=C1SCC(=O)N12 1001334 LPCIQFTWJPPFLL-LALPHHSUSA-N 318.354 1.571 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1ccc(C)c(C)c1)OCC 4583788 NZMQHZNJUKKCKG-UHFFFAOYSA-N 308.378 1.757 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 606440767 XOIOUAAUTZWMRQ-DGCLKSJQSA-N 300.362 1.910 0 40 DDAB C[C@H](C(=O)O)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326480 RMJZAPNXMNVUBO-QLJPJBMISA-N 317.345 1.024 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)c2ccccc2C)CC1 40105450 JUXWFDAFLVYIHV-UHFFFAOYSA-N 310.419 1.539 0 40 DDAB COC(=O)c1c(SCc2c(C)noc2C)nc(=O)[nH]c1C 31618110 SGRXSNKDXLYGTA-UHFFFAOYSA-N 309.347 1.762 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 41132153 POAYJEJMNZOCCO-GFCCVEGCSA-N 315.398 1.686 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 537679 OIMVXRBBDDKOPR-OXJKWZBOSA-N 305.355 1.203 0 40 DDAB C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1nncn1C 46962686 HYCGRGHVMDJPAJ-LLVKDONJSA-N 315.381 1.693 0 40 DDAB CN1N[C@H](c2cccnc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19171852 BNLSUSHGDMKRKX-BZUAXINKSA-N 322.368 1.127 0 40 DDAB C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C1CC1)C(=O)N(C)C 76952007 FAVHQPQARRYYRD-DOMZBBRYSA-N 303.406 1.784 0 40 DDAB O=C(N1CCOCC1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 2843136 NKEWDFOOYVCTNH-CBHXASLJSA-N 316.405 1.432 0 40 DDAB CCN(CC)[C@@H](CNC(=O)CN1CCO[C@H](C)C1)c1ccco1 54172750 FLMUOLAOCCLDMA-CABCVRRESA-N 323.437 1.499 0 40 DDAB CC(C)NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8914155 HCTQZCIYNCOPSD-UHFFFAOYSA-N 304.350 1.069 0 40 DDAB CC(=O)NCCC(=O)N1CCN(Cc2ccccc2C)CC1 23623628 CKYVUWGDOOYRNP-UHFFFAOYSA-N 303.406 1.165 0 40 DDAB CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@H]1N23 50353393 BUANTXPATFEOJA-XHJNMGKDSA-N 323.389 1.313 0 40 DDAB COCCC(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 107722170 QPNLELRIXGZUTH-KCQAQPDRSA-N 324.352 1.394 0 40 DDAB COc1ccc(/C=C/C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1F 42733612 PXVADPVEMLTWNZ-XPDZNBDNSA-N 320.364 1.960 0 40 DDAB O=C(Nc1ccccc1)c1nnn2c1[nH]c(=O)c1ccccc12 20718231 CKNVKZUQIUTVOA-UHFFFAOYSA-N 305.297 1.823 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)N1CCSCC1 43080456 KLNLPFIPELKMQW-UHFFFAOYSA-N 308.403 1.759 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(C)[C@@]1(C)Oc1ccccc12 1469173 RCNSZQWRVQZEKU-HUBLWGQQSA-N 306.387 1.836 0 40 DDAB CCCN(CC(=O)Nc1cc(C)ccc1OC)CC(=O)N(C)C 56510433 JQBFLFZTDJVKMP-UHFFFAOYSA-N 321.421 1.742 0 40 DDAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCO1 26399365 GHUBFEKQPANIEV-JSGCOSHPSA-N 320.389 1.867 0 40 DDAB CCCn1c(N)c(C(=O)CN(C)[C@@H](C)C(C)(C)C)c(=O)[nH]c1=O 27134044 DGCMKCBQYCXJDQ-JTQLQIEISA-N 324.425 1.078 0 40 DDAB 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1.618 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2OC)C1 48333566 APAAGJMPAMQKDI-AWEZNQCLSA-N 320.389 1.975 0 40 DDAB C[C@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1cccn1 45838873 KSFGGRQTQAZSHG-SSDOTTSWSA-N 300.240 1.790 0 40 DDAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C(=O)O 3407954 MBVQFOUAWVGZHK-AAEUAGOBSA-N 324.377 1.650 0 40 DDAB COc1ccccc1CNC(=O)CCc1c(C)nc(C)[nH]c1=O 12992777 FRVZNQMACPDIOG-UHFFFAOYSA-N 315.373 1.644 0 40 DDAB COc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc2c1OCCO2 13260709 JCSIVWLZTSYGGR-SNVBAGLBSA-N 321.329 1.403 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 71284284 NWAQMSULAOFQPH-UWVGGRQHSA-N 310.737 1.734 0 40 DDAB CN1C(=O)COc2cc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)ccc21 71287289 PJWXYJYIJOWZLJ-QWHCGFSZSA-N 318.329 1.337 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1 4122346 CGLGUTFZUMBDLK-UHFFFAOYSA-N 316.313 1.711 0 40 DDAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc(C(N)=O)cc1 6085318 BLLBJXHOYYCVBM-QMMMGPOBSA-N 305.363 1.033 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCc2ccccc21 13731309 LPIOPEWBPBCQJA-UHFFFAOYSA-N 312.373 1.242 0 40 DDAB CN1CCN(CCNC(=O)c2cc[nH]n2)[C@H](c2ccccc2)C1 65417156 YEJHLBKWKDFFOP-INIZCTEOSA-N 313.405 1.128 0 40 DDAB COc1ccccc1CC(=O)N1CCC2(CC1)CNC(=O)C2 65404768 GSTVASHPJXDCED-UHFFFAOYSA-N 302.374 1.366 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(C(=O)C2CC2)CC1 14093791 JZYOFIWDTNCZPO-ZDUSSCGKSA-N 301.390 1.568 0 40 DDAB Cc1cccc([C@@H]2C[C@H]2C(=O)NCCN2CCN(C)CC2)c1 65611168 PDVJBYFBSLJMSL-DLBZAZTESA-N 301.434 1.462 0 40 DDAB COc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cn1 14268979 MZXGBZVMMBGARN-ZDUSSCGKSA-N 314.345 1.828 0 40 DDAB CCOC(=O)c1sc(N2C(=O)C=CC2=O)c(C(=O)OC)c1C 5796766 RIWISAUNBFZDID-UHFFFAOYSA-N 323.326 1.449 0 40 DDAB Cc1nc(CCNC(=O)N(C)CC2CCN(C)CC2)cs1 78441107 DIYKLOXHKQTYQA-UHFFFAOYSA-N 310.467 1.977 0 40 DDAB CC(C)CCO[C@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 72306452 AEOXXQAWYZEKMR-GFCCVEGCSA-N 305.440 1.473 0 40 DDAB Cc1cccc2nc(C(=O)Nc3ccc(-n4cnnn4)cc3)cn12 7942573 STUJGYDARVEXJA-UHFFFAOYSA-N 319.328 1.871 0 40 DDAB O=c1[nH]nc(SCCOc2ccccc2)n1C[C@@H]1CCCO1 68901464 WVMNVTZYXQQIOS-ZDUSSCGKSA-N 321.402 1.922 0 40 DDAB CCOCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19849749 CTIYJTNTZQYPSU-UHFFFAOYSA-N 306.362 1.096 0 40 DDAB C[C@H](NC[C@H](O)c1ccc2c(c1)OCO2)[C@@H](C)n1cccn1 72269713 IWOSYNMSKRSJSF-SCRDCRAPSA-N 303.362 1.885 0 40 DDAB CCCN(CC(F)F)C(=O)NCCN1C(=O)CSC1=O 71799465 MRGUMJRYWIGXCO-UHFFFAOYSA-N 309.338 1.369 0 40 DDAB Cc1noc([C@@H](C)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 69387102 LNGBXHDDILMEJH-CHWSQXEVSA-N 321.425 1.068 0 40 DDAB NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2ccccn2)c1 72286266 XGRKHXQSEDMNAF-UHFFFAOYSA-N 324.337 1.190 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCCC1=CCCCC1 69595978 ZTBHNCHOWFGTRJ-MRXNPFEDSA-N 317.437 1.749 0 40 DDAB Cc1ccc(OCCN2CCC(NS(C)(=O)=O)CC2)cc1 69513042 VIWFBYFPNDJGBW-UHFFFAOYSA-N 312.435 1.387 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCc2cncnc2C1 69567501 YHVKNUSBHXBBRW-CYBMUJFWSA-N 308.385 1.813 0 40 DDAB CC(C)[C@@H](Sc1ccccc1)C(=O)NCCS(N)(=O)=O 69516932 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C[C@@H](OCC1CC1)C(=O)Nc1cccc(-n2cn[nH]c2=O)c1 95942029 VBUMXFKQJMCDLM-SNVBAGLBSA-N 302.334 1.314 0 40 DDAB Cc1nnnn1CC(=O)NCc1ccccc1OC1CCCC1 95965692 QPDOTOLHSSFBNC-UHFFFAOYSA-N 315.377 1.619 0 40 DDAB COc1ccc(CNC(=O)[C@H]2CNC(=O)N2)c(C(F)(F)F)c1 89432556 SLLIHDDLKBVYHQ-SNVBAGLBSA-N 317.267 1.012 0 40 DDAB CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 89598381 FDUWSBLHMFPYGJ-GZMMTYOYSA-N 309.840 1.731 0 40 DDAB C[C@]1(C2CCN(C(=O)NC3CCCCC3)CC2)NC(=O)NC1=O 75106753 GVKRDEVCHVXAPN-MRXNPFEDSA-N 322.409 1.339 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@@H]1C[C@H]1c1cccc(F)c1 89774964 HWUJTGUSUBLNKB-HRCADAONSA-N 307.365 1.833 0 40 DDAB Cn1cc(C(N)=O)c(NC(=O)C[C@H]2CCOc3ccccc32)n1 89749809 KDBPYDGWBRLPNO-SNVBAGLBSA-N 314.345 1.414 0 40 DDAB O=C(OCc1cnn(-c2ccccc2)n1)[C@H]1CCc2cn[nH]c2C1 76090283 VTKOCXIGNGPTSZ-LBPRGKRZSA-N 323.356 1.839 0 40 DDAB Cn1cc([C@H](O)CNC(=O)NCCc2ccc(F)cc2F)cn1 76087448 VIWMLMIDRXYIJX-CQSZACIVSA-N 324.331 1.274 0 40 DDAB CC(=O)Nc1ccccc1SCC(=O)N1CCN(C)CC1 409172922 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314.437 1.896 0 40 DDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1 225102222 NMXYELXPXTYLJC-UHFFFAOYSA-N 318.424 1.307 0 40 DDAB CO[C@H](CNC(=O)c1cn(C)nn1)c1ccc(Cl)s1 225704267 UJYMAWSREIWUMQ-MRVPVSSYSA-N 300.771 1.648 0 40 DDAB Cc1ccc(F)c(CN(C)S(=O)(=O)NCC(F)(F)F)c1 225684476 CEVAIXVJOGNBFH-UHFFFAOYSA-N 314.304 1.963 0 40 DDAB CO[C@@H](C)CS(=O)(=O)NCCc1c(C)[nH]c2ccccc12 195209754 ZOLCYCDMJCOAOT-NSHDSACASA-N 310.419 1.973 0 40 DDAB CC(C)(C)CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 226090455 LMIZZELMZVSNSN-UHFFFAOYSA-N 310.419 1.785 0 40 DDAB O=C(c1cscn1)N1CCC2(C1)CN(c1ncccn1)C2 96070915 AVXKZGMEARHLGE-UHFFFAOYSA-N 301.375 1.286 0 40 DDAB COc1ncnc2c1CN([C@H](C)C(=O)Nc1cc(C)on1)CC2 97202340 SCDFRJJSONSISY-SNVBAGLBSA-N 317.349 1.167 0 40 DDAB COCCNC(=O)CNC(=O)C1CCC(c2ccccc2)CC1 96430505 JXWOLLHPEICGKB-UHFFFAOYSA-N 318.417 1.839 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CCCOC2)cc1 96430930 HUVBRJBSYVRSPN-JKSUJKDBSA-N 316.401 1.781 0 40 DDAB C[C@@H](NCc1cn(C)c(=O)n(C)c1=O)c1ccc(F)c(F)c1 237356484 HRUOLRSAFRDHTN-SECBINFHSA-N 309.316 1.213 0 40 DDAB CN(C)C(=O)N[C@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 96186838 GCBNSEMCCUUIQJ-DMDPSCGWSA-N 310.423 1.146 0 40 DDAB CC(C)c1cc(C(=O)NCCCN(C)C)nc(N2CCCC2)n1 96191995 OKIYGFTYWJHBCY-UHFFFAOYSA-N 319.453 1.882 0 40 DDAB COc1cc(C(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)ccc1F 97953723 LQUYIXBGHVYUMN-KCQAQPDRSA-N 309.337 1.853 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(CN)COC)cc1 242463903 DPYHRDDCUSZRRL-BZUAXINKSA-N 311.447 1.741 0 40 DDAB C[C@H]1NCCn2cc(CC(=O)NCCc3cccs3)nc21 247961902 OSQXDBRYEIHRLB-LLVKDONJSA-N 304.419 1.510 0 40 DDAB CCCC[C@@H](NC(=O)COc1ccc2c(c1)C(=O)CC2)C(=O)O 256027792 BZJFUKJSBNJPHJ-CQSZACIVSA-N 319.357 1.954 0 40 DDAB O=C(/C=C/c1cccs1)N1CCN(C[C@H](O)C2CC2)CC1 85436579 KVDCQMVEVZHZCR-NFAHFFEMSA-N 306.431 1.676 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@H]2c2ccnc(O)n2)on1 257225424 FGDLGPFVYJSIKL-LBPRGKRZSA-N 318.333 1.475 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccc2ccccc2n1 257286748 PMWMVKUXOVZWGW-FVQBIDKESA-N 300.358 1.629 0 40 DDAB CC(C)n1nccc1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257234372 GTFWRQQDSUXTKI-ZFWWWQNUSA-N 317.393 1.499 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cc3cccc(F)c3[nH]2)CCO1 257241277 HXKGTUYAFBZUIR-MRXNPFEDSA-N 319.336 1.284 0 40 DDAB O=C(O)[C@@H]1CCCN1C(=O)c1ccnc(OCC(F)(F)F)c1 263471188 RXSFQNPKZXXABU-VIFPVBQESA-N 318.251 1.712 0 40 DDAB CCOC(=O)C1(O)CCN(c2ccnc(C(F)(F)F)c2)CC1 283918791 WXTVXIHVUKDRJX-UHFFFAOYSA-N 318.295 1.995 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](N2C(=O)CNC2=O)C1 575608235 XCTVOSJRVNYTJX-GFCCVEGCSA-N 321.764 1.035 0 40 DDAB OC[C@H]1CCn2cncc2CN1Cc1ccc2c(c1)OCO2 585097674 PILYRBFPDBEIOL-CYBMUJFWSA-N 301.346 1.379 0 40 DDAB Cn1cc(S(=O)(=O)NCc2ccon2)c(C2CCCC2)n1 907018249 SOEWGOCDCHAEEG-UHFFFAOYSA-N 310.379 1.544 0 40 DDAB CC(C)CN1CCN(C(=O)c2ncn(C)n2)Cc2cccnc21 585113243 SPXMCFDXXWBPMV-UHFFFAOYSA-N 314.393 1.329 0 40 DDAB CC(C)CN1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 585105022 YVKGPYHJZLYRCL-INIZCTEOSA-N 304.394 1.188 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)c1 69415706 ZEHRNFUBVFDCQB-BZUAXINKSA-N 313.405 1.892 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)NC2CCCC2)n1 69538560 TWVALXLSWYQROG-INIZCTEOSA-N 319.453 1.808 0 40 DDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 72269289 JSAYNRPKTQZRNG-DLBZAZTESA-N 318.417 1.295 0 40 DDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)C(=O)NC2CC2)CC1 56494226 FLSQQPUMSSJZNJ-LBPRGKRZSA-N 319.380 1.310 0 40 DDAB NC(=O)[C@@H]1CCN(Cc2ccc(F)cc2Br)C1 48036795 AFBJBBCMOSSTGE-SECBINFHSA-N 301.159 1.895 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)CCNc2ncccn2)no1 52355679 QAKLUFXPJWHMSN-CYBMUJFWSA-N 301.350 1.939 0 40 DDAB CC1(C)Cc2cccc(CNCC3(C(N)=O)CCOCC3)c2O1 86250628 IMFFAVWCJXLNBU-UHFFFAOYSA-N 318.417 1.772 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3ccco3)C2)n[nH]1 78901547 SCRLEKDLKAANNZ-NSHDSACASA-N 316.361 1.440 0 40 DDAB COC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 87450558 PMAHGWWACSOZLV-UWWQBHOKSA-N 303.402 1.746 0 40 DDAB CC[C@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 108373422 ACIDUQILQXCSBI-UGFHNGPFSA-N 312.435 1.942 0 40 DDAB COc1ccc([C@H](O)CNC(=O)Nc2nnc(C)s2)cc1 40526495 PHBXZZAZKYLMRM-LLVKDONJSA-N 308.363 1.710 0 40 DDAB C[C@H]1CCN(CCS(C)(=O)=O)CCN1Cc1ccccc1 96435852 NBHMMLHMFWCGFS-HNNXBMFYSA-N 310.463 1.627 0 40 DDAB O=C(NCC1(OCCO)CCCC1)c1ccc2c(c1)OCO2 888107199 XMNOMPLILJPPBX-UHFFFAOYSA-N 307.346 1.467 0 40 DDAB COc1ccc(/C=C2\NC(=S)NC2=O)cc1Br 12371075 DPYJIYUXXILYLI-YVMONPNESA-N 313.176 1.803 0 40 DDAB COCCNC(=O)CNc1ncnc2c1oc1ccccc12 14128849 CCEJBOIPKIBUKK-UHFFFAOYSA-N 300.318 1.551 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169302950 RFXLAFBMVCLYPX-CRWXNKLISA-N 303.314 1.678 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1C 200040526 YTCMTKHPECRZGF-UHFFFAOYSA-N 319.386 1.827 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2C)C1=O 8301205 VRLVETCBJVSMHZ-KPKJPENVSA-N 304.302 1.069 0 40 DDAB Cc1nc(C)c(CN2CCO[C@@H](C(=O)N3CCCC3)C2)s1 1889101210 PVRHSOZTDCAHTA-CYBMUJFWSA-N 309.435 1.583 0 40 DDAB NC(=O)c1cc(OC2CN(Cc3ccc(F)cc3F)C2)ccn1 1889128196 LBOWYSKXMPFKFZ-UHFFFAOYSA-N 319.311 1.722 0 40 DDAB Cc1csc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c23)n1 21482873 NXLZVFLLRZNVCU-UHFFFAOYSA-N 318.358 1.530 0 40 DDAB NS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1F 31550326 XYFHZVMMUSUIJM-UHFFFAOYSA-N 300.355 1.489 0 40 DDAB Cn1ccc(CN2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 2037905594 NGLNJOZQFZYNIJ-QGZVFWFLSA-N 319.380 1.965 0 40 DDAB CCn1cc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)c(C)n1 2037983845 IESKYKZOCAOHKA-KRWDZBQOSA-N 320.437 1.425 0 40 DDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)C1(F)CC1)CC2 1565549698 ZVJFHPDTJOAKPA-UHFFFAOYSA-N 306.337 1.606 0 40 DDAB COC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 10017099 YPXKMZXUERXGFI-MRVPVSSYSA-N 304.268 1.795 0 40 DDAB CCCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3)n(C)c1=O 10330421 LBCKVYMMCADKFD-UHFFFAOYSA-N 318.381 1.134 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1cc(F)ccc1OC)OC 575612870 OKLXIMZXPXQMMN-CYBMUJFWSA-N 321.370 1.164 0 40 DDAB O=C(NCc1nnc2ccccn12)N1CCN2CCCC[C@H]2C1 96404178 MENOJMRURDDVTB-ZDUSSCGKSA-N 314.393 1.109 0 40 DDAB C[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H](C)O1 40465976 DUGDDHMZJKLCRE-QWRGUYRKSA-N 307.781 1.957 0 40 DDAB C[C@@H](CNC(=O)CCn1c(=O)oc2ccccc21)N1CCCC1 40522562 QDTDNUCPRYRHGV-ZDUSSCGKSA-N 317.389 1.585 0 40 DDAB CCCNC(=S)N1CCN(C(=S)NCCC)[C@H](C)C1 20595264 QQKLYFSHSWRTJR-LLVKDONJSA-N 302.513 1.562 0 40 DDAB C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1nc2ccccc2[nH]1 32768778 OOEBTMIGLUCSKP-JTQLQIEISA-N 314.345 1.279 0 40 DDAB Cc1csc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)n1 41220258 VTWBRMYICZNNGM-UHFFFAOYSA-N 311.313 1.985 0 40 DDAB O=C(NCCOc1cccc(F)c1)[C@H]1CC(=O)N(C2CC2)C1 32914633 WPCLHZNGGNTIIQ-NSHDSACASA-N 306.337 1.332 0 40 DDAB CN(C)c1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cn1 32902880 OPKHALWIVRIRRV-UHFFFAOYSA-N 309.333 1.580 0 40 DDAB Cc1ncsc1C(=O)NCCNC(=O)COc1ccccc1 52715939 IQHQGDYCLLJULI-UHFFFAOYSA-N 319.386 1.377 0 40 DDAB CCOC(=O)[C@H]1CCCN(Cc2nc3ccsc3c(=O)[nH]2)C1 21847992 CEYJVLFJSHAPHS-JTQLQIEISA-N 321.402 1.760 0 40 DDAB Cn1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1=O 52835620 FIDLYUYDOWQPMR-INIZCTEOSA-N 311.385 1.449 0 40 DDAB O=C(O)CCN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 52944256 LVQACJAWGDJPKV-UHFFFAOYSA-N 310.781 1.501 0 40 DDAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCNC(=O)C1 33225000 AIFWYJFYXVVXJC-QMMMGPOBSA-N 317.172 1.719 0 40 DDAB O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCC3(CC1)OCCO3)C2 103048177 DTFWFDCUVDEJIO-STQMWFEESA-N 307.390 1.747 0 40 DDAB CCOC(=O)c1c(C)oc2nc(CN3CCOCC3)nc(N)c12 22021270 YNJCKBVFZXXHME-UHFFFAOYSA-N 320.349 1.122 0 40 DDAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cn[nH]c1C 71900138 QZMQPNIBDHWLRZ-CQSZACIVSA-N 301.346 1.622 0 40 DDAB NC(=O)CN(C(=O)COc1ccccc1Cl)C1CCCC1 47236251 FWRYFGSLTCQYDX-UHFFFAOYSA-N 310.781 1.975 0 40 DDAB CCS(=O)(=O)C[C@@H](C)NC(=O)CCn1ccc2ccccc21 79096098 PYHDDHFJSIQQMA-CYBMUJFWSA-N 322.430 1.971 0 40 DDAB CCCC[C@H]1C(=O)NCCN1C(=O)Nc1cccnc1OC 79025513 AZCGQZOQSANCKZ-LBPRGKRZSA-N 306.366 1.613 0 40 DDAB CC(C)(C)C(=O)NCC(=O)Nc1ccc(-c2nnc(O)o2)cc1 79050796 VWKXSFMMJALPSN-UHFFFAOYSA-N 318.333 1.543 0 40 DDAB COc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCCC3)c(OC)c1 2213272 ODUCQWKUGWHZHE-UHFFFAOYSA-N 316.357 1.825 0 40 DDAB CCCCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC 22990828 JTMCEOGQSQJFFD-HNNXBMFYSA-N 324.446 1.679 0 40 DDAB CC(C)n1nc(C(=O)N2CCC(=O)CC2)c2ccccc2c1=O 7781268 FPAJATWMOOZZLN-UHFFFAOYSA-N 313.357 1.783 0 40 DDAB c1cc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)cs1 107745229 IXWYETDJMWFYDJ-OAGGEKHMSA-N 308.447 1.812 0 40 DDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c(F)cccc1F 87378309 UILITLNWVJDDNA-ZDUSSCGKSA-N 323.299 1.131 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 97051697 MNNIBRFKTMETPT-GFCCVEGCSA-N 317.480 1.780 0 40 DDAB Oc1ccccc1N1CCN(Cc2nc(C3CC3)no2)CC1 12522893 DPICGFSZZQZJBI-UHFFFAOYSA-N 300.362 1.975 0 40 DDAB CN(C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 8091159 OEQYKPOLBQCGFU-UHFFFAOYSA-N 304.177 1.610 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1C 100187819 COZJIDVUGQIJMN-KJWYOANISA-N 313.353 1.499 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)NCc1cn2ccccc2n1 12531067 VSEHQVSPZYHCGR-UHFFFAOYSA-N 323.352 1.964 0 40 DDAB CCN(Cc1ccc(OC)c(F)c1)Cc1nc(N)nc(N)n1 56635789 NMLOBAVBJHISEQ-UHFFFAOYSA-N 306.345 1.206 0 40 DDAB O=C(NCCn1ccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 57170758 GDTKULBCJJQDLC-QGZVFWFLSA-N 312.417 1.912 0 40 DDAB COCCS(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 72230419 BJQGKINNPDOWQN-UHFFFAOYSA-N 315.435 1.929 0 40 DDAB Cc1cc(C)c(CNC(=O)Cn2c(C)nc3ccccc32)c(=O)[nH]1 72270554 WCGLGYKGNCBXIZ-UHFFFAOYSA-N 324.384 1.966 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CCc1ccccc1 175693399 BFOMNFSJESNPAX-CYBMUJFWSA-N 312.435 1.405 0 40 DDAB C[C@H](Nc1cccc(N2CCOC2=O)c1)C(=O)N1CCOCC1 57886551 ZINJYQHRVMXQQI-LBPRGKRZSA-N 319.361 1.302 0 40 DDAB CC[C@H](C(=O)NCCN1CCCS1(=O)=O)c1ccccc1 58135888 DPOBGOCVNKXPIV-AWEZNQCLSA-N 310.419 1.332 0 40 DDAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@@H]21 100127948 LGSMWHUTRPDMIY-HPENLJRUSA-N 313.350 1.599 0 40 DDAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CCO)CC1 44874164 PRVBYZLIHBBEEM-CYBMUJFWSA-N 302.378 1.408 0 40 DDAB C[C@@H](NC(=O)CCn1cccn1)c1ccc2c(c1)OCCO2 48253483 BJAFFUJXXAAUOL-GFCCVEGCSA-N 301.346 1.922 0 40 DDAB CSc1nnnn1-c1cccc(NC(=O)C2CCOCC2)c1 58247497 KNTLDGWQDPMFIC-UHFFFAOYSA-N 319.390 1.749 0 40 DDAB Cc1cccc(C)c1OC[C@H](C)NC(=O)NCC[S@](C)=O 84225393 GXQJOHIIPBMVDG-YEJXKQKISA-N 312.435 1.748 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)N3CCOC[C@@H]3C)c(C)n2n1 44912580 AOBQGJWAXQXTQZ-LBPRGKRZSA-N 316.405 1.834 0 40 DDAB COc1ccccc1[C@H](O)CNC[C@H]1CNc2ccnn2C1 58308851 JYXYYLWZZSGLFN-GXTWGEPZSA-N 302.378 1.257 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CCC(n2cncn2)CC1 58304701 JCKOOVLMIQFCJO-UHFFFAOYSA-N 308.345 1.699 0 40 DDAB CC[C@@H](CO)NC(=O)NC1CCN(Cc2ccccc2)CC1 45027066 HOEVUGHEDLIHOT-HNNXBMFYSA-N 305.422 1.721 0 40 DDAB C[C@@H](Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCNC1=O 97139965 NJHGAPXHWVLIRJ-GFCCVEGCSA-N 313.361 1.284 0 40 DDAB NC(=O)C1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 45468894 FMQXQQAPQFMIBI-UHFFFAOYSA-N 320.780 1.686 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1cccc(Cl)c1 48312826 AYFGSFOZKLCTPS-FZMZJTMJSA-N 322.796 1.958 0 40 DDAB CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCc3nccn3C2)n1 97197614 OCUMDIKQOZQTMP-LLVKDONJSA-N 317.393 1.627 0 40 DDAB C[C@@H]1CCCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 28903765 ZVXLNLCQWPNGNE-OAHLLOKOSA-N 317.433 1.623 0 40 DDAB Cn1ccnc1CN1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@H]21 306132842 LTZMMCAFHJEVIP-SQWLQELKSA-N 301.394 1.296 0 40 DDAB COc1ccc(C(=O)NCC(=O)N2CCC[C@H](C)C2)cc1OC 2647460 VSXRYUDTFMVIBH-LBPRGKRZSA-N 320.389 1.692 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)no1 3464707 WGDZMWOYQWFYLX-VFZGTOFNSA-N 320.349 1.422 0 40 DDAB C[C@@H](NCCCN1CCCC1=O)C(=O)Nc1ccccc1F 3440277 ZWSDBLVKSOXREV-GFCCVEGCSA-N 307.369 1.755 0 40 DDAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 13253523 SKESNPVHHXTKDA-UONOGXRCSA-N 316.357 1.994 0 40 DDAB CCOC(=O)c1sc2nc(C)nc(NCC(=O)NC)c2c1C 13984844 VFEMYKIROKURHK-UHFFFAOYSA-N 322.390 1.643 0 40 DDAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2cc(C)on2)c1 5216754 DSWPYBPELYORPD-UHFFFAOYSA-N 320.301 1.796 0 40 DDAB O=C(Nc1ccc[nH]c1=O)c1cccnc1OCC(F)(F)F 65475551 QPPPSJNLJFTKRA-UHFFFAOYSA-N 313.235 1.963 0 40 DDAB CN1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 65440559 SVPSCBQLGKNBNQ-UHFFFAOYSA-N 305.378 1.305 0 40 DDAB COc1cccc(N2C(=O)C[C@@H](Sc3ncn[nH]3)C2=O)c1 6556097 PJNLTEIBWVPFCV-SNVBAGLBSA-N 304.331 1.238 0 40 DDAB CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccs1 14313072 NGKVFDXUAFWQQO-UHFFFAOYSA-N 310.400 1.668 0 40 DDAB CC1(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCCC1 66597976 DKOUUAVQSSBXBI-GFCCVEGCSA-N 317.455 1.290 0 40 DDAB O=c1c(Cl)c(N2CCC(O)CC2)cnn1-c1ccccc1 15172966 NITQTZYRWBWCMS-UHFFFAOYSA-N 305.765 1.847 0 40 DDAB COC(=O)CC1(NC(=O)Nc2ccccc2OC)CCOCC1 83982576 CVHKGTFOXBBAAC-UHFFFAOYSA-N 322.361 1.929 0 40 DDAB C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 67998452 OPGAQVYPSXPGEF-UKRRQHHQSA-N 308.422 1.520 0 40 DDAB CC(C)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 69043606 GZMNYKRFMXATGX-HNNXBMFYSA-N 308.447 1.936 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)cn1 69349391 LTWHVQSZQDRJIV-CYBMUJFWSA-N 307.419 1.772 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H](n2cccn2)C1 69415763 LFBQMJFBRDUHBI-LBPRGKRZSA-N 323.356 1.597 0 40 DDAB OC[C@H]1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 69484507 TXBFGAPIVAAOHI-GFCCVEGCSA-N 317.345 1.812 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 69418570 IGFANABXTGYSKE-ZIAGYGMSSA-N 322.434 1.276 0 40 DDAB CN(C)c1ncccc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69535612 GSSKUQWHGAZJFJ-GJZGRUSLSA-N 302.422 1.846 0 40 DDAB O=C(NC1CCC(O)CC1)N[C@H]1CCN(c2ccccc2)C1 71882517 AYYHPLCWOWCLNS-BBBYJDLNSA-N 303.406 1.868 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2cc(C)nn2C)c1 71875834 JQNNMCVIDYCTMT-AWEZNQCLSA-N 316.409 1.337 0 40 DDAB O=C([C@@H]1C[C@H]1c1cccnc1)N1CCCN(c2cccnn2)CC1 69976881 AEQWKZZPEYWBFD-JKSUJKDBSA-N 323.400 1.714 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(N2CCCCC2)CC1 26439425 LVBODLDSPCTJAB-NVXWUHKLSA-N 323.481 1.620 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCCC(=O)O)CC1=O 96595482 YFGUMSXYIFLHBH-GXTWGEPZSA-N 318.373 1.577 0 40 DDAB O=C(c1ccc(S(=O)(=O)C[C@@H]2CCCO2)nc1)N1CCCC1 84425428 FGYKOJXSSZJAKJ-ZDUSSCGKSA-N 324.402 1.270 0 40 DDAB CCOC(=O)N1CCN(C(=O)COc2ccc(C)cn2)CC1 84793565 WYEIWRUPIYJNGI-UHFFFAOYSA-N 307.350 1.070 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCSC[C@@H]1CCO 95443862 LXUMKFDHCIZVQY-LBPRGKRZSA-N 319.423 1.623 0 40 DDAB Cc1cc(OCC(=O)N2CCOC[C@@H]2C(=O)O)ccc1Cl 88374276 PDUYCJFBZVOVSJ-GFCCVEGCSA-N 313.737 1.339 0 40 DDAB CCNC(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 95998855 AEVNNGGNNZKGKT-GFCCVEGCSA-N 302.334 1.839 0 40 DDAB Cc1n[nH]c([C@@H](NC(=O)C(F)(F)C2(O)CCC2)C(C)C)n1 95978795 CHPHOODFCRBUPT-VIFPVBQESA-N 302.325 1.477 0 40 DDAB CN1C(=O)NC2(CCN(C(=O)NC3CCCCC3)CC2)C1=O 74902594 LCKIZMRTWMOUOQ-UHFFFAOYSA-N 308.382 1.045 0 40 DDAB Cc1noc([C@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)n1 75132137 MJALUOBNIRGCQS-ZANVPECISA-N 306.370 1.048 0 40 DDAB NC(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 23045746 ILFWNWNKKYGQSK-UHFFFAOYSA-N 301.273 1.964 0 40 DDAB O=C1NC[C@H](C(=O)N[C@H](c2ccccc2)c2cccs2)N1 89827665 GJWUHLUALMPKRH-DGCLKSJQSA-N 301.371 1.635 0 40 DDAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)nc1 27976155 VNVRJINVSPBEIM-LBPRGKRZSA-N 324.344 1.772 0 40 DDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C(C)C)CN3)cc1 20394285 MYFSMCULSBYFMI-UHFFFAOYSA-N 300.362 1.428 0 40 DDAB CN1[C@@H](Cc2cccc(O)c2)[C@H](O)c2ccccc2S1(=O)=O 35385117 ARZSZHLRBARGTK-GOEBONIOSA-N 319.382 1.671 0 40 DDAB CCOC(=O)N[C@@H]1N=C(c2ccccn2)c2ccccc2NC1=O 34494275 AEYRWEZKUDJLQJ-HNNXBMFYSA-N 324.340 1.943 0 40 DDAB CC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 32101368 GJACJSBPJZTXII-UHFFFAOYSA-N 300.339 1.803 0 40 DDAB Cn1cc(CNC(=O)[C@]2(C)Sc3ccccc3NC2=O)cn1 41644439 YPNFPRBLSPNODR-HNNXBMFYSA-N 316.386 1.539 0 40 DDAB CC(C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224270082 HFAMCFBVSOLPIV-UHFFFAOYSA-N 314.407 1.088 0 40 DDAB NS(=O)(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 80279568 RCKILTMVCYNPBI-UHFFFAOYSA-N 319.597 1.819 0 40 DDAB Cn1c(C2CCC2)nnc1N1CCC[C@H]1c1ccc(O)nn1 528291724 BPSVEHQXFSPGNC-LBPRGKRZSA-N 300.366 1.920 0 40 DDAB COc1cc(OC)cc(C(=O)NCCSc2ncn[nH]2)c1 222931649 WBCFUPLKYYHPJP-UHFFFAOYSA-N 308.363 1.344 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCOC1 81666401 AANBCKFFOWYISB-MRXNPFEDSA-N 324.465 1.812 0 40 DDAB COc1ccccc1NC(=O)Cn1cc(C(=O)O)ccc1=O 41670284 VOEUQTLBIILTKV-UHFFFAOYSA-N 302.286 1.194 0 40 DDAB CC(C)(C(=O)NCCS(N)(=O)=O)c1ccc(Cl)cc1F 195579306 KLLLNBNMNBJKKS-UHFFFAOYSA-N 322.789 1.161 0 40 DDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3cccs3)C2)nn1 225445135 BJOACCYHBOVDAW-NSHDSACASA-N 318.402 1.898 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1)N1CCCO1 96057693 TUZOIFAIDYCHDW-YNEHKIRRSA-N 323.418 1.286 0 40 DDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1ccc[nH]1 96423781 HUPYLUDQOLWEFV-HNNXBMFYSA-N 312.417 1.955 0 40 DDAB CC[C@@H]1N(S(=O)(=O)N(C)C)CCC[C@]12CCC(=O)N2CC 96092051 XMDLRCAECJVPFV-JSGCOSHPSA-N 317.455 1.048 0 40 DDAB O=C(Cn1nnc(-c2ccco2)n1)NC[C@@H]1C[C@@H]1c1ccccc1 95394782 CMBBZSORDAXJRI-UONOGXRCSA-N 323.356 1.853 0 40 DDAB O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1cncnc1 96239207 TVMAALJVRZKYLD-KRWDZBQOSA-N 309.373 1.501 0 40 DDAB c1ccc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)nc1 96054346 AWSNCMOQEFYRPS-BBWFWOEESA-N 303.406 1.146 0 40 DDAB Cc1ccc(S(=O)(=O)CCCN2CC[C@@H](C)[C@H](O)C2)cc1 96490685 KCKLQRBFSXTJDG-GDBMZVCRSA-N 311.447 1.862 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)cn1 96042072 CBPSYRFQYRFKNP-HRCADAONSA-N 317.389 1.584 0 40 DDAB O=C(O)[C@H]1C[C@H](O)CN1C(=O)COc1ccc2ccccc2c1 95883197 PYUFGFZTDDLMLZ-DZGCQCFKSA-N 315.325 1.265 0 40 DDAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)no1 96070710 SIJAIMHICKRJIU-WCFLWFBJSA-N 315.333 1.160 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccco1 96062095 WJGUPCIKPVXSQH-NSHDSACASA-N 312.333 1.333 0 40 DDAB Cc1ccc(OC[C@H](C)NS(=O)(=O)Cc2ccon2)cc1 96427825 NRZOONGUMXYOKP-LBPRGKRZSA-N 310.375 1.870 0 40 DDAB COc1cc(N2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)ncn1 96161663 OJZYZMADUZQRFI-TXEJJXNPSA-N 317.418 1.510 0 40 DDAB O=C(c1ccnnc1)N1CCC2(CCC(=O)N2CC2CC2)CC1 96228122 XZLFBMZHQRRACW-UHFFFAOYSA-N 314.389 1.484 0 40 DDAB COc1ccc(C2=NO[C@](C)(C(=O)NC[C@@H]3CCCO3)C2)cc1 96192801 CSILLSNPJFWDSF-YOEHRIQHSA-N 318.373 1.874 0 40 DDAB Cc1nc(NC(C)C)nc2c1CN(C(=O)C1CCOCC1)CC2 96253922 FTMHMSBWFJJBEG-UHFFFAOYSA-N 318.421 1.917 0 40 DDAB O=C(N[C@H]1CCN(C2CC2)C1)c1cc(F)ccc1-n1cccn1 526988651 PPQPGOWMURXZDO-ZDUSSCGKSA-N 314.364 1.978 0 40 DDAB O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257263986 LSJIIIYIHIAWKE-GFCCVEGCSA-N 312.333 1.525 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)n1 257243701 IIEOQWJEYIVDBQ-CYBMUJFWSA-N 301.394 1.790 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 257305213 SOXSBZGNHLFOFH-CQSZACIVSA-N 318.421 1.795 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cccnn3)CCO2)ncn1 257290353 QCQALATVVPYIMQ-CQSZACIVSA-N 313.361 1.049 0 40 DDAB Cc1c(CN2CC[C@H](c3[nH]ncc3C(=O)N(C)C)C2)cnn1C 257333995 YEBDSCUFGSDSSX-LBPRGKRZSA-N 316.409 1.143 0 40 DDAB COCCC(=O)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257302128 SBQNERHIXYSBFI-INIZCTEOSA-N 318.417 1.967 0 40 DDAB O=C(Cc1ccc(F)cc1)NCCn1cnc(C2CC2)cc1=O 390829000 VTCWGRMKMZKDBG-UHFFFAOYSA-N 315.348 1.619 0 40 DDAB C[C@]1(c2cccnc2)NC(=O)N(CCO[C@H]2CC2(F)F)C1=O 585097883 AXIFNIARABRLSO-GXFFZTMASA-N 311.288 1.273 0 40 DDAB O=C(/C=C/c1cnc[nH]1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585289371 QIMZXNJLSQIWOV-TYGQBZDHSA-N 311.385 1.875 0 40 DDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)Cc2ccccc2F)C1 585277243 LFRMMRWBIYDJPY-QGZVFWFLSA-N 322.380 1.641 0 40 DDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)OCCF)n(C)n1 585109037 PKBIBTNEONRTLY-STQMWFEESA-N 324.356 1.010 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1C(C)C 44719662 WLSQZZKDLPEJQC-ZDUSSCGKSA-N 312.435 1.850 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(C[C@H]2CC2(Cl)Cl)CC1 44895192 PKULGQVJWYXYOW-WDEREUQCSA-N 320.264 1.465 0 40 DDAB Cc1cccc(OCCCNC(=O)N[C@H](C)c2nncn2C)c1 45273917 WVYDKVZBEZPBJQ-CYBMUJFWSA-N 317.393 1.953 0 40 DDAB CC(=O)N1CCN([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 37187915 DKEJQFAVWJHSIU-CQSZACIVSA-N 303.406 1.164 0 40 DDAB NC(=O)Cn1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1 53414006 WMFFLYAUQHFSBS-UHFFFAOYSA-N 302.309 1.178 0 40 DDAB Cc1sc(=O)n(CCC(=O)NCc2cccc(CO)c2)c1C 77614183 HQIDEVAMCZBDJJ-UHFFFAOYSA-N 320.414 1.725 0 40 DDAB CO[C@@]1(CNS(=O)(=O)c2c(C)noc2C)CCSC1 96097655 NLWJLQHHYODAII-LLVKDONJSA-N 306.409 1.092 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)n1)C1CCCCC1 96121109 VDJMGUFAHVUSTA-UHFFFAOYSA-N 304.394 1.510 0 40 DDAB CN1CC[C@@H](NC(=O)c2coc(Br)c2)CC1=O 194196205 BXYIKWNMTGNKBD-MRVPVSSYSA-N 301.140 1.393 0 40 DDAB CCN(CC)C(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccnc1 13125212 SYCLJVQVALICGD-CQSZACIVSA-N 312.377 1.830 0 40 DDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2cccs2)c1 14728861 SNZUCAIBSMTKPN-UHFFFAOYSA-N 321.387 1.739 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1 15352708 HROIFRRZPYAAGG-UHFFFAOYSA-N 320.370 1.856 0 40 DDAB C[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 16641902 XNAVYGVDGGUQDG-LBPRGKRZSA-N 300.358 1.931 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)n1 16705706 ZXBPZJHNQSHWKJ-UHFFFAOYSA-N 314.389 1.975 0 40 DDAB Cc1ccc(S(=O)(=O)NCC(=O)Oc2ccccc2)cc1 17050899 IEYJGBMMVGOKPQ-UHFFFAOYSA-N 305.355 1.879 0 40 DDAB COc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1 18168839 XRLNQPVPOBXXOY-UHFFFAOYSA-N 307.331 1.215 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 1576136 XMVYSQUPGXSTJR-AAEUAGOBSA-N 320.345 1.377 0 40 DDAB in-vitro O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CC=CCC1 245171742 XSZOILOGGVTCGU-JSGCOSHPSA-N 303.358 1.964 0 40 DDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)C1CC1 575616219 IZEQROKUYDEEHI-UHFFFAOYSA-N 308.765 1.587 0 40 DDAB Cc1ccnc(N2C[C@@H]3CN(c4ncncc4F)C[C@@H]3C2)n1 1888842568 MTWHODWZQLKVOW-TXEJJXNPSA-N 300.341 1.287 0 40 DDAB Cc1nc2ncnn2c(N2C[C@H]3CCCC[C@]3(CO)C2)c1C 1888853171 IPCURGKYZLGHPU-CZUORRHYSA-N 301.394 1.730 0 40 DDAB CC(C)(C)c1ccc(OC[C@H]2CCN(S(C)(=O)=O)C2)nn1 1888853264 IQHMSJVDXQOBKY-NSHDSACASA-N 313.423 1.434 0 40 DDAB O=C(N1CCOCC1)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889128730 SWIFAFFYXWZUIX-UONOGXRCSA-N 302.378 1.044 0 40 DDAB CCCCNC(=O)C[C@H]1C(=O)NN=C2c3ccccc3N=CN21 15524863 BJKUSWDJMQNAQH-ZDUSSCGKSA-N 313.361 1.128 0 40 DDAB CC(C)(N)C(=O)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2 1848355700 HXMBAJVSSRLNCD-AWEZNQCLSA-N 318.421 1.154 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 20537606 JDMPINHQMCQJIE-DGCLKSJQSA-N 306.362 1.997 0 40 DDAB COCc1cncc2c1CCN(C(=O)c1ncc(OC)cn1)C2 1565546840 KVTAKWNLKSBMJS-UHFFFAOYSA-N 314.345 1.225 0 40 DDAB CC(=O)N(CCN(C)C)c1nc2cc3c(cc2s1)OCO3 4359332 CHRAEYBZXMCHLQ-UHFFFAOYSA-N 307.375 1.940 0 40 DDAB CCCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 10325378 QKZUGLVIOMNTEU-UHFFFAOYSA-N 317.389 1.977 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)no1 12446718 UOZPBUJPTPZCSP-MRVPVSSYSA-N 323.330 1.503 0 40 DDAB O=C(c1cccs1)N1CCN(c2ccc3nncn3n2)CC1 16848004 VWQVYIPXFDALQD-UHFFFAOYSA-N 314.374 1.148 0 40 DDAB O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc2c(c1)OCO2 206808415 NFMDOLMYBMKARZ-NSHDSACASA-N 317.370 1.881 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)N[C@H](C)COc1ccc(F)cc1 50154876 LTWZBICWHKAIHP-MNOVXSKESA-N 311.357 1.417 0 40 DDAB COC(=O)c1ccc(CN(C)c2ncnc3c2cnn3C)cc1 30521676 GNNWTLYFGQBUBY-UHFFFAOYSA-N 311.345 1.786 0 40 DDAB O=C(CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)Nc1cn[nH]c1 51414634 ICVXQZDQEKNJAC-GFCCVEGCSA-N 320.736 1.122 0 40 DDAB CCCCNC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 20671495 GNVATZQJRQLMDD-NSHDSACASA-N 321.352 1.899 0 40 DDAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)[C@H](c1ccccc1)n1cnnn1 101343510 HHYGYMQXGYDRPP-HNKHHVNMSA-N 309.373 1.591 0 40 DDAB Cc1cc([C@H](C)NC(=O)N2CCO[C@@H](C(N)=O)C2)c(C)s1 51685538 OERCTVWSSMXIOF-JOYOIKCWSA-N 311.407 1.322 0 40 DDAB Clc1cccc(N2CCN(CCN3CCOCC3)CC2)c1 41544612 JTFXGWUKLHQULN-UHFFFAOYSA-N 309.841 1.794 0 40 DDAB COc1cccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 60949047 OBSOYCGLKCYADS-UHFFFAOYSA-N 320.326 1.633 0 40 DDAB CCc1cnc(CN2CC[C@H](N(C)Cc3noc(C)n3)C2)o1 78891032 VBWCSODJDXMTEF-LBPRGKRZSA-N 305.382 1.635 0 40 DDAB CCCc1noc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900491 GVLIRWPZDCSQKB-SNVBAGLBSA-N 318.381 1.224 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)NC[C@@H]1CC=CCC1 78942456 DMHCSPVGKRHDLK-SNVBAGLBSA-N 307.316 1.663 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@@H](CO)C1 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Cn1cnnc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 57155017 PZZMUMZKFXKIAV-OAHLLOKOSA-N 313.405 1.344 0 40 DDAB Cc1cc(=O)[nH]c(NC(=N)N2CCC(N3CCCCC3)CC2)n1 9926740 SOVBXMXOOJRECK-UHFFFAOYSA-N 318.425 1.375 0 40 DDAB Cc1nc(C2(NC(=O)CN3CSCC3=O)CCCCC2)no1 26491577 LQMVLIRTNAMGHV-UHFFFAOYSA-N 324.406 1.187 0 40 DDAB C[C@H](OC(=O)c1ccc(C(F)(F)F)nc1)C(=O)NC1CC1 26435411 URRWEDLOEZJROY-ZETCQYMHSA-N 302.252 1.924 0 40 DDAB CCOCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 58162770 MTPOBAVJTJHSJT-QWRGUYRKSA-N 321.377 1.475 0 40 DDAB COc1ccccc1[C@@H](NC(=O)N1CCC1)c1nccn1C 44892363 OQOSMFCXCBZWQY-CQSZACIVSA-N 300.362 1.933 0 40 DDAB CCOc1ccc2cc(C(=O)NC[C@H]3CN(C)CCO3)[nH]c2c1 58282935 ZEOSHKQGITZWEU-AWEZNQCLSA-N 317.389 1.627 0 40 DDAB COCCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1OC 72273672 ACPKASVKHLSTEZ-SNVBAGLBSA-N 303.380 1.331 0 40 DDAB O=C(O)C[C@@H](NC(=O)c1ccc(O)nn1)c1ccccc1Cl 44915361 IJMKRTZSHCIDSX-LLVKDONJSA-N 321.720 1.781 0 40 DDAB O=C(CN1CCC(c2ccnn2CCO)CC1)NC1CCCC1 58305257 YAPQWPBKLIMICI-UHFFFAOYSA-N 320.437 1.114 0 40 DDAB COC(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 10865643 FGKZPQWFJHPAER-VIFPVBQESA-N 300.332 1.117 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@]2(CCCN(c3nncs3)C2)CO1 107230291 KRDPLCCIFDOWJT-SWLSCSKDSA-N 322.434 1.440 0 40 DDAB CCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OCC 2346351 NOPFASHPZPPKLN-UHFFFAOYSA-N 305.334 1.952 0 40 DDAB CN(C)CC(C)(C)CNC[C@@H](O)COCc1ccccc1F 3418424 ZHRBKEKUFIDKDP-OAHLLOKOSA-N 312.429 1.881 0 40 DDAB Cc1cnc(C(=O)OCC(=O)NCCC2=CCCCC2)cn1 3467281 SLEDDDVSZUISSZ-UHFFFAOYSA-N 303.362 1.949 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)c1ccc(F)c(Cl)c1 38021050 BFOTWJLWATZJLG-UHFFFAOYSA-N 309.746 1.964 0 40 DDAB CC(C)(C)Nc1nnc(SCC(=O)N2CCCC2=O)s1 9112843 IXJBPGZAXICVNX-UHFFFAOYSA-N 314.436 1.990 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)NC[C@H]1Cc2ccccc2O1 65440546 DEBXQAQYXBLTNT-OAHLLOKOSA-N 314.389 1.954 0 40 DDAB COCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C(=O)OC 65575967 LSZHZLDESFCMST-VIFPVBQESA-N 315.753 1.657 0 40 DDAB COC(=O)[C@H](C)Sc1nnc(NC[C@H]2CCCO2)s1 65553159 HDSMPRSLLRVARK-JGVFFNPUSA-N 303.409 1.783 0 40 DDAB O=C(N[C@H]1C(=O)NN[C@H]1c1ccccc1)c1ccc(Cl)cc1 409066014 GPMIKPWBYGIRKC-UONOGXRCSA-N 315.760 1.814 0 40 DDAB CC[C@]1(C)NC(=O)N(C[C@H](O)COc2cc(C)ccc2C)C1=O 14236228 DGKSCCZCSWBFDW-GUYCJALGSA-N 320.389 1.764 0 40 DDAB COc1c([C@@H]2CCCN2CCCS(C)(=O)=O)c(C)nn1C 72253823 AGOTXYBRMRMCPJ-LBPRGKRZSA-N 315.439 1.309 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)CCc2cccn2C)C1 80474044 CZOPNAINHIVPRA-ZIAGYGMSSA-N 320.437 1.514 0 40 DDAB CCc1cnccc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 97147411 JBCGHLVHMGEMFF-CQSZACIVSA-N 301.321 1.740 0 40 DDAB Cn1cc(C(N)=O)c(NC(=O)c2scnc2C2CCCC2)n1 97115695 IZCPZVVAUFVZHH-UHFFFAOYSA-N 319.390 1.885 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)Cn2nc(C)ccc2=O)C12CCCC2 96432521 DMIDYTIFDYVDNY-KBPBESRZSA-N 319.405 1.406 0 40 DDAB OC1(C(F)(F)F)CCN(Cc2cnc3ncccn23)CC1 97162260 HIPMHEFQGYKHPQ-UHFFFAOYSA-N 300.284 1.619 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc(N(C)C)cc1 8231743 ZPAMXJWWVCUNAW-MRVPVSSYSA-N 306.395 1.572 0 40 DDAB CN1C[C@H](C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1=O 97111894 JDONLLULXAGFAF-CVEARBPZSA-N 316.401 1.325 0 40 DDAB O=C(NCCOCCO)Nc1ccc2c(c1)OC(F)(F)O2 69489894 ORHDUMPTTOJMBD-UHFFFAOYSA-N 304.249 1.139 0 40 DDAB COC(=O)CNC(=O)c1cnc(Cc2ccc(F)cc2)s1 69515067 AYYWBFRZTRLGTN-UHFFFAOYSA-N 308.334 1.776 0 40 DDAB CC[C@@H](N[C@@H](C)Cn1cc(C)cn1)C(=O)Nc1cc(C)on1 69561426 MWXOCLJFCGKARU-WCQYABFASA-N 305.382 1.883 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(C)C 69707769 KHHYJBZRVISJGQ-AWEZNQCLSA-N 316.361 1.254 0 40 DDAB CC[C@H]1CN(c2nn3cc(C)nc3s2)CCN1CCOC 69849556 AYBFIFGBLOQVNO-LBPRGKRZSA-N 309.439 1.646 0 40 DDAB O=C1CN(C(=O)Nc2cccnc2)C2(CCCCC2)C(=O)N1 69873211 IPWIFXDLDAOOOT-UHFFFAOYSA-N 302.334 1.275 0 40 DDAB CN(CCC(=O)N1CCOCC1)[C@H]1CCc2ccccc2C1 71907872 AWBFKHAKDIIPKT-KRWDZBQOSA-N 302.418 1.725 0 40 DDAB CCN(C(=O)CSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 95350028 AWBSHMSCWQOIAS-ZETCQYMHSA-N 305.343 1.275 0 40 DDAB O=C1[C@H](NC(=O)C2(O)CCCC2)CCCN1c1ccccc1F 95446945 UXIJNZRAHCAIIC-CYBMUJFWSA-N 320.364 1.742 0 40 DDAB COCCNC(=O)[C@@H](C)N1CCC(Nc2ccc(F)cc2)CC1 95431821 XQIDDLBIACFYJC-CYBMUJFWSA-N 323.412 1.853 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)O)CC2 98041236 PDJKURNKHFKACB-SECBINFHSA-N 308.334 1.245 0 40 DDAB COc1ccccc1NC(=O)C[C@@H]1SC(N(C)C)=NC1=O 28757098 HMEUKDVXUQJWQO-NSHDSACASA-N 307.375 1.583 0 40 DDAB CC(=O)N[C@@H](C(=O)NCc1nc(-c2ccsc2)no1)C(C)C 95955656 HNISEBNWXOPQCQ-GFCCVEGCSA-N 322.390 1.575 0 40 DDAB Cc1ccc(CC(=O)NS(=O)(=O)N(C)Cc2ccccc2)o1 95984619 NQPIGSPCLGKIHT-UHFFFAOYSA-N 322.386 1.624 0 40 DDAB COCCn1cc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cn1 76057609 YMWQCCPSBSCXQL-GOEBONIOSA-N 322.453 1.512 0 40 DDAB COc1ccc2c(n1)N(C(=O)COc1c(C)occc1=O)CC2 1548451631 KGDLSVJETJCGCY-UHFFFAOYSA-N 316.313 1.320 0 40 DDAB CCOc1ccc(CNC(=O)C(=O)Nc2nccs2)cc1 408710111 OYIJCOXZUZKSHL-UHFFFAOYSA-N 305.359 1.797 0 40 DDAB Cc1ccc(=O)n(CCNC(=O)Cc2noc3ccccc23)n1 56903685 FUVGDYAXJCFZDV-UHFFFAOYSA-N 312.329 1.052 0 40 DDAB COCc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)cc1 547613190 ZLOGZJDWLLJZRE-VXGBXAGGSA-N 311.359 1.141 0 40 DDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1 409245111 NOKMGJDHAYFWGW-UKTHLTGXSA-N 318.329 1.541 0 40 DDAB CSc1ncc(Cl)c(C(=O)N[C@H]2CC[S@](=O)C2)n1 530643191 VUKXOLVWRTXTTP-QQOXFEPMSA-N 305.812 1.103 0 40 DDAB Cc1nn(C)c2c(=O)n(C(C)C)c(NC[C@@H]3CCCO3)nc12 32652089 WNFXFTCWOKMILU-NSHDSACASA-N 305.382 1.610 0 40 DDAB COC(=O)c1ccc(CN(C)C(=O)NC[C@H]2CCOC2)cc1 47067551 BHGXFJQFNWMKEA-CYBMUJFWSA-N 306.362 1.651 0 40 DDAB C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C[C@@H](O)C2)[C@H](O)C[C@H]1C[C@H](O)CC[C@]31C 123375207 IQWPIVUYONOUOY-BXMYEHCISA-N 322.445 1.901 0 40 DDAB Cc1nc(Cl)cc(NCc2cccc(OCC(N)=O)c2)n1 78496316 FUONRLWAHBZZAS-UHFFFAOYSA-N 306.753 1.915 0 40 DDAB COc1ccsc1C(=O)NCC(=O)N(C)Cc1cccnc1 78557403 JWALSEPCETYNAX-UHFFFAOYSA-N 319.386 1.540 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1 72238141 ZVVFDKUQZOAMQR-RISCZKNCSA-N 310.419 1.810 0 40 DDAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218626969 JIXOLIWQMNRVJR-HRCADAONSA-N 320.389 1.422 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)NCC2(O)CCOCC2)cc1 75229563 WKOLSERPLMFHKV-UHFFFAOYSA-N 316.357 1.921 0 40 DDAB O=C(NC[C@@H]1Cc2ccccc2CO1)c1cnn2c1OCCC2 225786174 VJLWKIDTAHRLRN-AWEZNQCLSA-N 313.357 1.537 0 40 DDAB O=C(Nc1cnc(N2CCOCC2)nc1)c1c(F)cccc1F 224249710 YTLZILCCGVANBP-UHFFFAOYSA-N 320.299 1.844 0 40 DDAB CCn1ncc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)c1C 41546172 OANDGZXCNHWEQK-MRXNPFEDSA-N 314.345 1.940 0 40 DDAB COc1cccc2c1CC[C@@]2(N)C(=O)N(C)CC1CCOCC1 1579288081 IURSPMAYHDANIU-SFHVURJKSA-N 318.417 1.680 0 40 DDAB CCCc1nnc([C@H]2CCN(C3CCN(C(C)=O)CC3)C2)o1 49170358 HGDCHMLDCBKLIZ-ZDUSSCGKSA-N 306.410 1.822 0 40 DDAB biogenic,in-vitro CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccco2)c1 225416195 QDLLWHBWFGBJAW-UHFFFAOYSA-N 322.386 1.550 0 40 DDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041591 LSALDMUMRJHTGZ-RRFJBIMHSA-N 303.362 1.275 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccc[nH]1)C2 96215203 WSLHLJQNCXECDD-CQSZACIVSA-N 311.407 1.045 0 40 DDAB C[C@H](C(=O)N1CCN(c2nccn2C)CC1)c1cccs1 96436944 MHBQAJYSNHKFSI-LBPRGKRZSA-N 304.419 1.934 0 40 DDAB Cc1ccc(OC[C@H](C)NC(=O)c2nc(C)c(C)[nH]c2=O)cc1 95449156 GCLXPMJHNZXODZ-NSHDSACASA-N 315.373 1.892 0 40 DDAB CO[C@@H](CNS(=O)(=O)c1cncc(F)c1)c1ccccc1 96428739 OWCMZSWNGMIUFW-AWEZNQCLSA-N 310.350 1.887 0 40 DDAB Cc1ccccc1CC(=O)N1C[C@@H]2COC[C@]2(CN(C)C)C1 96108267 CHNLVACRXIVUJN-AEFFLSMTSA-N 302.418 1.574 0 40 DDAB Cn1cc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)cn1 96189091 YYUXDIPHXIAWGB-INIZCTEOSA-N 315.421 1.675 0 40 DDAB C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCCc1cccs1 97095072 KUAZHLRUPCJXFD-CHWSQXEVSA-N 312.435 1.862 0 40 DDAB c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3c2ccncn2)c1 96042180 NEKIDYNIVKPPJF-YQQAZPJKSA-N 312.373 1.825 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 96062984 NMOJRZDSVVZTDD-KRWDZBQOSA-N 303.406 1.656 0 40 DDAB CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H](C(=O)N(C)C)C1 257281787 OQZZWIAIVJHVLT-HNNXBMFYSA-N 321.396 1.194 0 40 DDAB Cn1cc(CN2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 257255248 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301.306 1.278 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)NC[C@H]1CCCO1 24751952 JJLCCWCXSRFDOP-GFCCVEGCSA-N 304.346 1.097 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-n2ccnc2)nc1 25011469 HLJIISSPJMYFSD-UHFFFAOYSA-N 310.361 1.799 0 40 DDAB COCCNC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 48264389 ZKXVCTYGECQYIS-LLVKDONJSA-N 314.407 1.439 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)NC[C@H]1CCCO1 48287211 DBUQFZLRZXBOSO-CYBMUJFWSA-N 306.362 1.479 0 40 DDAB CC(=O)N1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 44402331 GTMGHUQYUPGDKF-UHFFFAOYSA-N 304.365 1.938 0 40 DDAB COC(=O)c1ccc(CCNC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 27366694 XUBPOXBWTAAFRK-BETUJISGSA-N 320.389 1.835 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100172051 PYZSZRYMHULCTF-FIQHERPVSA-N 320.142 1.892 0 40 DDAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CCN(C)CC1 59843313 LXCFGCIAPKOTBR-UHFFFAOYSA-N 319.796 1.617 0 40 DDAB O=C(C1CC1)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119123 BHKSTCNXUKDMJG-STQMWFEESA-N 309.369 1.722 0 40 DDAB 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CC(C)(C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20112452 XFPCVCIBLSQCNZ-GFCCVEGCSA-N 312.391 1.128 0 40 DDAB Cc1ncsc1C(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 71904480 RAQBOVLYPZXCDZ-QMMMGPOBSA-N 302.421 1.489 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 95448594 FJBPYWGELRZCFO-JTQLQIEISA-N 306.746 1.134 0 40 DDAB COc1ncnc(N)c1CNC[C@H]1CCO[C@@H]1c1ccccc1 83915166 ADAGMHGTDIENTC-UKRRQHHQSA-N 314.389 1.935 0 40 DDAB C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1c1ccccc1 97032204 STACMMOTCSIYKO-WFASDCNBSA-N 310.419 1.488 0 40 DDAB O=C(NC1CC1)NC1CCN(C(=O)c2ccccc2O)CC1 72278453 WYNAVCJYJAJYJK-UHFFFAOYSA-N 303.362 1.458 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 72235702 IFTURMQVYGVQKN-ZIAGYGMSSA-N 304.394 1.142 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2nccn2C1 97197685 ZZRWRBBCQIGPPD-NSHDSACASA-N 319.386 1.031 0 40 DDAB O=C(CN1CCn2ccnc2C1)N1CCc2sccc2C1 97201188 XLBVNVYSHUNMHO-UHFFFAOYSA-N 302.403 1.345 0 40 DDAB C[C@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@@H]1CCOC1 95960266 IZOGUZWJYPYFKF-IUODEOHRSA-N 312.435 1.392 0 40 DDAB O=C(Cc1csc2ccc(Cl)cc12)N(CCO)CCO 95985954 OGUXNNMBOKPMPN-UHFFFAOYSA-N 313.806 1.910 0 40 DDAB CN(C)[C@H](CNC(=O)NCC[S@](C)=O)c1cccs1 89312262 SXZQHACIUSKWHT-GIGQVBGESA-N 303.453 1.029 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)CCCO)c1C 89540448 SANXOFBSUXCNQU-SNVBAGLBSA-N 315.391 1.221 0 40 DDAB O=C(O)CN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(F)cc1 89780948 BYDGXPDQWNDJDL-LHRNQBEKSA-N 307.321 1.931 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1 89764922 CQCHGTIOZFYDKC-LLVKDONJSA-N 300.366 1.096 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2cccc3c2ccn3C)CCS1(=O)=O 89919990 CFWOQUMXWQBXSE-NEPJUHHUSA-N 320.414 1.826 0 40 DDAB CS(=O)(=O)NCCN1CC[C@H](CSc2ccccc2)C1 75964095 NPFKCQMBAKABLB-ZDUSSCGKSA-N 314.476 1.650 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 76068505 DJWCVOAJCGVYNV-UXLLHSPISA-N 316.401 1.858 0 40 DDAB O=C(O)CSCC(=O)N1CCN(c2ccccc2F)CC1 34199326 UIOBVKNKNUXSTM-UHFFFAOYSA-N 312.366 1.292 0 40 DDAB C[C@@H](C1CC1)N(C(=O)COc1ccc(CC(N)=O)cc1)C1CC1 124574885 NVJYEEFILGILCT-LBPRGKRZSA-N 316.401 1.883 0 40 DDAB COCCNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 32477305 QZWJZBDVPGFWBY-UHFFFAOYSA-N 307.325 1.961 0 40 DDAB O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1cccs1 77180265 OHSZUOJBRQJGMN-CQSZACIVSA-N 309.412 1.860 0 40 DDAB Cn1cc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)cn1 74393412 VDGWHMZMSNLDBV-UHFFFAOYSA-N 310.361 1.030 0 40 DDAB O=C(Cn1ncccc1=O)Nc1ccc(OC(F)(F)F)cc1 38547238 ZOHBGVYJEAUWHH-UHFFFAOYSA-N 313.235 1.781 0 40 DDAB COc1ccc(SCC(=O)N2CCN(C=O)CC2)cc1OC 38753917 BGNHITSBGPKQFA-UHFFFAOYSA-N 324.402 1.097 0 40 DDAB CSC[C@H](CCO)Nc1cnn(C)c(=O)c1Br 77236989 SGWRUVBFEPMYSC-ZETCQYMHSA-N 322.228 1.069 0 40 DDAB CC(C)N1CCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 72379404 IWZSIXVDLKZNNS-CYBMUJFWSA-N 301.394 1.976 0 40 DDAB CNC(=O)c1ccc([C@@H]2CCCN(C(C)=O)C2)nc1N(C)C 72352894 MKOOTECFLCXNNR-GFCCVEGCSA-N 304.394 1.233 0 40 DDAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 72369766 WETJCOFJJGGHOJ-ZDUSSCGKSA-N 312.373 1.422 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCN(C(=O)CN2CCCCCC2=O)C1 72386139 UAYQYVBGWHSPCY-CYBMUJFWSA-N 304.394 1.437 0 40 DDAB Cc1nn(C)c2cnn([C@H](C)C(=O)N[C@H](C)c3ccncc3)c12 41123756 NBYHISISRLKVKX-ZYHUDNBSSA-N 312.377 1.912 0 40 DDAB NCCn1cc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)nn1 563450702 GSRYCGORJHMIRL-GFCCVEGCSA-N 305.769 1.308 0 40 DDAB c1ccc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)nc1 607058595 OXSOTSZOKWMFIK-UHFFFAOYSA-N 307.361 1.384 0 40 DDAB CS(=O)(=O)c1nccn1CC(=O)N1CCCc2ccccc21 81272403 FXKIKFMZOVNHJI-UHFFFAOYSA-N 319.386 1.266 0 40 DDAB CC(C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224827235 OPQCCLONSYTMFP-UHFFFAOYSA-N 318.826 1.626 0 40 DDAB O=C(Nc1cn(Cc2ccccc2)nn1)[C@@H]1CCc2cncn2C1 570725046 LYPDCTWHEQMBLW-CQSZACIVSA-N 322.372 1.724 0 40 DDAB COc1cc(S(=O)(=O)NCc2cc(C)no2)ccc1F 190566109 NGUOYSSEPLJAJV-UHFFFAOYSA-N 300.311 1.609 0 40 DDAB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCOCC2)cc1 47465724 ONDKNMZBLJXZSE-OAHLLOKOSA-N 306.406 1.601 0 40 DDAB CCN(CC)C(=O)[C@@H](C)N1CCC([C@@H](O)c2nccn2C)CC1 89926183 ACNVHLPIGGOHMZ-UKRRQHHQSA-N 322.453 1.422 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C)c1 40161925 VQODHZHIUVTCTP-SECBINFHSA-N 320.374 1.430 0 40 DDAB Cc1cccc(O[C@H]2COCCN(Cc3cnn(C)c3)C2)n1 85435947 QJHIOUVXQNTJOZ-OAHLLOKOSA-N 302.378 1.403 0 40 DDAB biogenic,in-vitro c1cnc(N2CCOC[C@]3(CCCN(CC4CC4)C3)C2)nc1 96049525 AJNLROGYEYXZIV-KRWDZBQOSA-N 302.422 1.805 0 40 DDAB Fc1cnc(N2CCO[C@H]3CN(Cc4ccoc4)C[C@H]32)nc1 96248844 LHIPARXLCYJQLQ-KGLIPLIRSA-N 304.325 1.298 0 40 DDAB Cc1nn(C)c(C)c1CN[C@@H]1CC(=O)N(CC(F)(F)F)C1 95464128 OASVSDDQGDEYTP-SNVBAGLBSA-N 304.316 1.290 0 40 DDAB CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCCCc2ccccc21 96486567 WQGUBTNQRBHWTJ-IAGOWNOFSA-N 316.401 1.818 0 40 DDAB CN1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@@H]1c1ccc(F)c(F)c1 95449237 CLXTZQJTORJWFK-UGFHNGPFSA-N 310.344 1.863 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C)o1 96083140 NZZTXRXHIQDGTL-OLZOCXBDSA-N 306.362 1.440 0 40 DDAB CO[C@@H](C)C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96454560 TZESBQXDBUGIDK-SDBXPKJASA-N 318.295 1.557 0 40 DDAB CC(C)CC(=O)NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2 96108431 PYQPVCHSSJKYSP-WBVHZDCISA-N 306.406 1.890 0 40 DDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccn1 96424183 CWWDTSIWZMOLPY-GFCCVEGCSA-N 305.403 1.922 0 40 DDAB Cn1ncc(C(=O)NC[C@H](O)c2ccsc2)c1-n1cccc1 96456295 NCYUSWNTAMHCQR-ZDUSSCGKSA-N 316.386 1.736 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 96057333 PQFPFPNFMXPIBL-KFWWJZLASA-N 324.446 1.633 0 40 DDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3ocnc3C)C2)ncn1 257278916 OEDVSEUYLPIYOJ-ZDUSSCGKSA-N 316.361 1.413 0 40 DDAB C[C@@]1(O)CN(C2CCCCC2)CC[C@H]1n1ccc(O)nc1=O 257331304 XSHBHYRDSDTOMB-CZUORRHYSA-N 307.394 1.279 0 40 DDAB CO[C@H]1CCN(C(=O)CCCc2cn[nH]c2)C[C@@]12CCCO2 257250842 JOFOUETUEGKIBS-HOCLYGCPSA-N 307.394 1.529 0 40 DDAB C[C@@H](NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1 25355826 YGWJIMZBJNZPGI-MRXNPFEDSA-N 315.461 1.761 0 40 DDAB Cc1ccccc1[C@@H](CC(=O)Nc1cnn(C)c1)NC(N)=O 25310830 PQIRACIVARBVCK-CYBMUJFWSA-N 301.350 1.467 0 40 DDAB Cc1n[nH]cc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257291039 QFIIYKCPOJFDON-AWEZNQCLSA-N 303.366 1.047 0 40 DDAB Cc1ccnc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257286788 PNAWXSNXOINGDK-LBPRGKRZSA-N 321.406 1.087 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cncc(NC)n1 257201378 AHLNEOCQPSCLPZ-NSHDSACASA-N 318.406 1.910 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1Cc2ccccc2C1 390834199 UMMMUWVBFIPGDW-CABCVRRESA-N 301.390 1.368 0 40 DDAB O=C(O)c1cncnc1N1CC[C@@H](n2ncc3ccccc32)C1 572606253 KZCKGUIXCWMGDH-GFCCVEGCSA-N 309.329 1.976 0 40 DDAB Cc1nccc(O[C@@H]2CCCN(C(=O)c3ccc(O)nc3)C2)n1 575605526 QYDCJHIBYHIOFV-CYBMUJFWSA-N 314.345 1.569 0 40 DDAB C[C@@]1(c2cccnc2)NC(=O)N(CCO[C@@H]2CC2(F)F)C1=O 585097884 AXIFNIARABRLSO-MFKMUULPSA-N 311.288 1.273 0 40 DDAB Cn1cncc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 585261151 SXUHPESODHYZSV-NSHDSACASA-N 321.406 1.016 0 40 DDAB CC[C@@](C)(NCCc1ccc2c(c1)OC(F)(F)O2)C(N)=O 585094284 AZMREUOFSUJRJA-CYBMUJFWSA-N 300.305 1.794 0 40 DDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)/C=C/c2ccccc2)C1 585277501 MOPMGXKHTCAOIW-BLGFXRMMSA-N 316.401 1.580 0 40 DDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)[C@@H]1O 585286164 JUHNBWIFEZYAPH-ZACQAIPSSA-N 319.401 1.318 0 40 DDAB CN(C)C(=O)CN(C)C(=O)COc1ccc(Cl)cc1Cl 43276033 KECAEVBCZQOMCJ-UHFFFAOYSA-N 319.188 1.919 0 40 DDAB NC(=O)CN(C(=O)c1cnn(-c2ccccc2)n1)C1CCCC1 47236497 GPPFOLXVMRHUIH-UHFFFAOYSA-N 313.361 1.137 0 40 DDAB O=C(NCc1nc(C2CC2)no1)c1ccc(-n2cccn2)nc1 55706717 ZQXRDOOKWTXKSK-UHFFFAOYSA-N 310.317 1.458 0 40 DDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3CCOC3)ccc21 51435112 DHMZBNWPRHTXIA-CYBMUJFWSA-N 315.373 1.705 0 40 DDAB CC(C)COC1CCN(C(=O)CSc2nncn2C)CC1 84544378 BXUZFNUBJRKMMQ-UHFFFAOYSA-N 312.439 1.571 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@@H]1C1CCCCC1 84543929 WOUQEUFRAWWFQK-CQSZACIVSA-N 302.440 1.608 0 40 DDAB COc1ccnc(N2CCN(c3ccnc(C(C)C)n3)CC2)n1 171857732 PKIZOZBSVQXKFK-UHFFFAOYSA-N 314.393 1.725 0 40 DDAB Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12 12117765 QLCLYNBOYREWEV-UHFFFAOYSA-N 313.361 1.000 0 40 DDAB CC(C)CNC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 17113232 NHNXGHZUFBIKSG-UHFFFAOYSA-N 317.433 1.718 0 40 DDAB Cc1cnc(C(=O)N2CC[C@H](c3cc4ncc(C)nc4[nH]3)C2)cn1 19717402 WRYRSRGNAFDGQX-LBPRGKRZSA-N 322.372 1.994 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)NC1=S 8091992 WALYITXAIHJEFO-POHAHGRESA-N 310.762 1.571 0 40 DDAB O=C(NCC1CCN(c2cccnc2)CC1)NC[C@@H]1CCCO1 225559144 IZJXDNMAPGISLZ-INIZCTEOSA-N 318.421 1.776 0 40 DDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1cccn1C)c1ccccc1 3558251 IXPAPIRDPNGCIK-ZDUSSCGKSA-N 315.329 1.379 0 40 DDAB O=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(Cl)cn1 6080826 JKYHWLUDTREMAD-UHFFFAOYSA-N 322.704 1.942 0 40 DDAB CN1C[C@@]2(CCN(C(=O)CC3CCCCC3)C2)COCC1=O 2037984961 TVHKDFWLXIRMRD-QGZVFWFLSA-N 308.422 1.664 0 40 DDAB O=C(c1cnco1)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056223714 BOZHCYKRBAUXNS-LBPRGKRZSA-N 307.419 1.861 0 40 DDAB O=c1c(=O)n(-c2ccccc2F)ccn1CC1CCOCC1 2086928924 YTSJXLTZVSJSGD-UHFFFAOYSA-N 304.321 1.565 0 40 DDAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)CNC(=O)C2 1565555462 IKJFWIGBUPAOEX-UHFFFAOYSA-N 312.373 1.385 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352748 FDPGLPBMLKMYNU-LLVKDONJSA-N 324.402 1.166 0 40 DDAB CC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 23139277 IPJFXIZIPAAVAR-UHFFFAOYSA-N 320.374 1.498 0 40 DDAB COc1ccc(NC(=O)NCCn2ncccc2=O)cc1OC 23237005 YFOXBYVBUMUPBL-UHFFFAOYSA-N 318.333 1.082 0 40 DDAB O=C(NCCOCCn1ccnc1)[C@H]1CCc2ccccc2O1 575620888 WBFBJENMIKGFRE-MRXNPFEDSA-N 315.373 1.410 0 40 DDAB C[C@H]1CN(c2nc(C3CC3)ns2)CCN1Cc1cnn(C)c1 2298029638 SMAHYZXAXZDRKW-NSHDSACASA-N 318.450 1.860 0 40 DDAB O=S(=O)(NCCn1ccnc1)C1=Cc2ccccc2CC1 40461042 RVBZKGXWFBLCQT-UHFFFAOYSA-N 303.387 1.790 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1Cc1ccccc1 40488274 AUZDETDFVYSSFA-HNNXBMFYSA-N 310.419 1.271 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccccc2)nc1C 40457625 OYUGYMVOZZJPEN-HNNXBMFYSA-N 313.405 1.790 0 40 DDAB CCO[C@H](C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 40523529 VXVSDSGABYTNQX-CQSZACIVSA-N 318.417 1.966 0 40 DDAB O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 101193876 QXDJKJDWGAAEFM-WRZDFSGXSA-N 313.357 1.060 0 40 DDAB COCCCNC(=O)c1c(-n2cnnn2)sc2c1CCCC2 32069902 KYBOSENKJXHVOD-UHFFFAOYSA-N 321.406 1.369 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2ccccc2F)C1=O 32750885 WUDPXOLVKRHGBG-BZNIZROVSA-N 322.336 1.286 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 52603389 MWKSFLBWJYPADI-LLVKDONJSA-N 314.407 1.038 0 40 DDAB COc1cccc(F)c1-c1cc(N)c(C(N)=O)c(=O)n1C(C)C 1857794381 UQYVSTAOJVJBMW-UHFFFAOYSA-N 319.336 1.925 0 40 DDAB Cc1noc(C)c1CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 76696239 VJHWJVCSEAKSRO-HNNXBMFYSA-N 300.318 1.654 0 40 DDAB CCc1nc(CN(C)[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)no1 78891583 QLSMKNCDZIMLFR-CYBMUJFWSA-N 319.409 1.943 0 40 DDAB Cn1ncc2c(NCc3nncn3-c3ccccc3)ncnc21 42100228 IYTJROVASFJILQ-UHFFFAOYSA-N 306.333 1.556 0 40 DDAB NC(=O)c1cccnc1N1CCN(CCc2ccccc2)CC1 22977264 NHLVDUNDDXDOHW-UHFFFAOYSA-N 310.401 1.545 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCCCNC2=O)o1 42479093 VLWJQWQDZSBCEZ-CYBMUJFWSA-N 307.394 1.520 0 40 DDAB O=C(NC1CC1)C1CCN(C(=O)NCc2ccccc2)CC1 4965527 IMFCWJOLWWFFNJ-UHFFFAOYSA-N 301.390 1.887 0 40 DDAB CO[C@@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@H]2[C@@H]1N2C(=N)S 6403217 FMTMFDCCMVONNO-PLJIRNSDSA-N 308.359 1.115 0 40 DDAB Cc1cc(OCC(=O)NCCN(C)C)ccc1Br 6471267 VYCZFIZZPQYYMX-UHFFFAOYSA-N 315.211 1.814 0 40 DDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)NC(C)(C)C 7454979 QIHHBTBQNFDEMN-UHFFFAOYSA-N 301.346 1.769 0 40 DDAB Cn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 54551855 PSGOCQZTWTYKFH-UHFFFAOYSA-N 308.389 1.686 0 40 DDAB CCn1cc(-c2nn3c(-c4cnccn4)nnc3s2)c(C)n1 61720219 VUJHNZPTRORLKS-UHFFFAOYSA-N 312.362 1.835 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)NCc1cccc2ccccc12 175925207 WSDUUNNIJQIIOG-UHFFFAOYSA-N 320.414 1.738 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C 9834175 NOSPOYBSNMWYKW-MRXNPFEDSA-N 319.405 1.622 0 40 DDAB CN(C)c1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 3243003 DAYGMQZFKGEJHM-CQSZACIVSA-N 306.362 1.205 0 40 DDAB Cc1cccc(OCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 72753187 ZWRYGNKCGDFQCF-ZDUSSCGKSA-N 311.403 1.315 0 40 DDAB O=C(c1ccncc1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107720994 XQYZKBVZCWGHGL-JYJNAYRXSA-N 302.374 1.880 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCn1cc(C)cn1 102747846 VRNUTACEQCGNGE-NZBPQXDJSA-N 305.378 1.286 0 40 DDAB CN(C(=O)CNc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 57888756 XVFPLAJZYFCIDV-LBPRGKRZSA-N 318.345 1.022 0 40 DDAB CC(C)[C@@H](CNS(=O)(=O)c1ccccc1)N1CCOCC1 12784058 MHFAIQDBICDWDF-OAHLLOKOSA-N 312.435 1.322 0 40 DDAB CN1CCN([C@@H](CNc2ncccn2)c2cccs2)CC1 44866661 ONIQZILLUVWETG-ZDUSSCGKSA-N 303.435 1.939 0 40 DDAB CCN1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 58207665 RABDIHCNZFBIKG-UHFFFAOYSA-N 320.418 1.199 0 40 DDAB Cn1ncc2c(N3CCN(c4ccccc4F)CC3)ncnc21 3356202 PXCGUZNRBAQKAB-UHFFFAOYSA-N 312.352 1.829 0 40 DDAB C[C@H](OCCCNC(=O)N1CC[C@@H](C(N)=O)C1)c1ccccc1 45160080 YQHDTXPDNQKOKY-DZGCQCFKSA-N 319.405 1.671 0 40 DDAB C[C@@H](OC(=O)c1ccc(SC(F)F)cc1)C(=O)NC(N)=O 10765745 PHAYRAOOPCSXFZ-ZCFIWIBFSA-N 318.301 1.742 0 40 DDAB C[C@@H](C(=O)N1CCCCCC1)N1CCC(N2CCNC2=O)CC1 52216571 QMPWJJJUHXGUOO-AWEZNQCLSA-N 322.453 1.267 0 40 DDAB CN(CC(=O)NC(C)(C)C)CN1C(=O)c2ccccc2C1=O 36390329 FDYIJJUFDVFVKJ-UHFFFAOYSA-N 303.362 1.087 0 40 DDAB O=C(COn1nnc2ccccc21)Nc1cc(F)cc(F)c1 10850505 XRVGVZJQNRRMQX-UHFFFAOYSA-N 304.256 1.777 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)c2cccn2C)cc1 28775461 DZVGOIUQIIYCQN-UHFFFAOYSA-N 306.387 1.837 0 40 DDAB Cc1ccc(CNC(=O)CSc2nnnn2C2CC2)cc1F 11277491 GHVUQLCOVMQSOL-UHFFFAOYSA-N 321.381 1.864 0 40 DDAB Cc1c(C(=O)NCC(=O)N2CCCCC2)[nH]c2c1C(=O)CCC2 45850535 UPMIDYFJGICXKF-UHFFFAOYSA-N 317.389 1.584 0 40 DDAB O=S(=O)(c1cccs1)N1CCC[C@@H]1CN1CCCC1 60113408 FDAVRQNGYWHSEX-GFCCVEGCSA-N 300.449 1.997 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)NCC[C@@H]1CCCO1 29873761 YVAYKVYAHQLBGT-VIFPVBQESA-N 319.404 1.382 0 40 DDAB CCCN(CC(F)(F)F)C(=O)CNC(=O)NCc1ccco1 63851409 ZLNHEPKCEIKJEW-UHFFFAOYSA-N 321.299 1.880 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NC[C@@H]3CCOC3)C2)n[nH]1 84110953 YLZKXLWCNFVGMS-KBPBESRZSA-N 306.410 1.050 0 40 DDAB O=C(CCc1nccs1)N1CCN(c2ncccn2)CC1 49677770 BOZXNNLPOKQXRV-UHFFFAOYSA-N 303.391 1.215 0 40 DDAB COC(=O)c1ccc(Cl)c(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1 97080420 YUFYDNXWCXWMSM-GJZGRUSLSA-N 324.808 1.641 0 40 DDAB CCOc1cc2c(cc1CNC(=O)CN(C)C(C)=O)O[C@H](C)C2 65440936 QQVCKFZSZQDLTJ-LLVKDONJSA-N 320.389 1.503 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)c2c(C)nn(C)c2n1 65464801 QUJHTSPTCFBGAO-GFCCVEGCSA-N 324.388 1.526 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 65414406 VEEHZSSEUOMSDS-LBPRGKRZSA-N 307.369 1.247 0 40 DDAB COC(=O)c1c(NC(=O)C(=O)NCC(C)C)sc2c1CCC2 6669430 FUKXBTXOWBEHHQ-UHFFFAOYSA-N 324.402 1.734 0 40 DDAB O=C(NCc1ccccc1CO)C(=O)Nc1ccc(F)cc1F 72230665 SLICXAWPVOIGEI-UHFFFAOYSA-N 320.295 1.712 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CC1 72268085 KQQQJCZXNPIFPS-LBPRGKRZSA-N 304.394 1.227 0 40 DDAB CN1CC(=O)N(CCCC(=O)NCc2ccccc2F)C1=O 7705165 AGWCUOPBHRMXNV-UHFFFAOYSA-N 307.325 1.116 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)NCC(F)(F)F)c1C 7777296 PMNKOCNSZKFYLU-UHFFFAOYSA-N 319.279 1.904 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1 84265084 FPBXOTNACUVODV-GFCCVEGCSA-N 301.350 1.816 0 40 DDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)Cc1ccco1 83701662 SFISKDXAIAFOAH-GWCFXTLKSA-N 303.366 1.945 0 40 DDAB CC(C)CC[C@@H]1CCC[C@H]1NCC(=O)NCC(=O)N1CCCC1 97105411 JGOGULDWZZZMDK-JKSUJKDBSA-N 323.481 1.920 0 40 DDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H]1CCC(=O)NC1 70013483 YCXPNTANZVKZDK-PWSUYJOCSA-N 310.781 1.811 0 40 DDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(C(N)=O)CC1 8317294 IROMRAQKHBLHTR-LBPRGKRZSA-N 321.396 1.070 0 40 DDAB Cc1nnc2n1CCN([C@H](C)C(=O)Nc1ccc(Cl)cn1)C2 69436591 ANMPYZNGPQRELU-SECBINFHSA-N 320.784 1.478 0 40 DDAB Cc1ccc(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)c1 8497034 OQYMQGVYKHEKEX-CYBMUJFWSA-N 304.390 1.795 0 40 DDAB Cc1cnn(CCC(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)c1 69571607 BCWKAMOMCSATGF-INIZCTEOSA-N 324.388 1.914 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1CCC[C@@H]1Cn1cncn1 69588218 LPOQWMQIZQFXOR-CQSZACIVSA-N 319.434 1.463 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1 17480641 AZZOXYHTEHZRMX-UHFFFAOYSA-N 323.374 1.551 0 40 DDAB CCOCCN1CCN(CC[S@@](=O)c2ccccc2)CC1 69668795 BNRXYQDPELCEKS-NRFANRHFSA-N 310.463 1.448 0 40 DDAB Cn1ccc(C(=O)N2CCCc3cc(C(N)=O)ccc32)cc1=O 97164820 LGHPPHJJSQEQKT-UHFFFAOYSA-N 311.341 1.077 0 40 DDAB CC[C@@H](CCO)CNS(=O)(=O)N1CCC(C(C)(C)C)CC1 92014097 VPJZILFCZQXTGA-ZDUSSCGKSA-N 320.499 1.988 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCCC[C@H]1Cn1cccn1 69813453 JUQGSBBWTZZVBM-HNNXBMFYSA-N 318.421 1.667 0 40 DDAB O=C1NCCN1[C@H]1CCCN(CC2=Cc3ccccc3OC2)C1 92188775 SOEJJHAFZFJGOJ-INIZCTEOSA-N 313.401 1.952 0 40 DDAB CS(=O)(=O)c1cccc(NC(=O)c2cn3ccccc3n2)c1 8778597 JZHLLUSXOXGXSS-UHFFFAOYSA-N 315.354 1.990 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NCCS(=O)(=O)C(C)(C)C 71904051 NJQMDTFBOODDMF-GFCCVEGCSA-N 304.456 1.190 0 40 DDAB CCNC(=O)NCCOC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 95404973 QRVVECBLJYABHJ-JQWIXIFHSA-N 312.316 1.931 0 40 DDAB COc1ccc2c(c1)CN([C@H](C)C(=O)Nc1ncccn1)CC2 95430182 QLVIJVKOGXGNIJ-GFCCVEGCSA-N 312.373 1.871 0 40 DDAB CN1C[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)CC1=O 88232669 GWXXKSCVAAFBEJ-JTQLQIEISA-N 302.309 1.428 0 40 DDAB CC(C)C[C@H](C)S(=O)(=O)NC(=O)c1ccn2cncc2c1 95987688 XJYPNVUIBXVHKC-NSHDSACASA-N 309.391 1.829 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)on1 95954230 QHYIWAWLYSZTRZ-RYUDHWBXSA-N 306.366 1.437 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@@H](C)Cn2cccn2)c(=O)[nH]1 75122228 HJKGDGKYMYYPAB-LLVKDONJSA-N 317.393 1.324 0 40 DDAB Cc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(=O)[nH]1 75120005 FSYWPLWUFVQSMH-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB Cc1cnc(CN2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)o1 89702343 ZAJVFAYRGPELKD-HNNXBMFYSA-N 320.437 1.502 0 40 DDAB CC1(C)CN(C(=O)CCCc2ccccn2)CCS1(=O)=O 89919581 OFWBAHGBMAOZTR-UHFFFAOYSA-N 310.419 1.440 0 40 DDAB Cc1cccc2c(CCNC(=O)N[C@@H]3CCN(C)C3=O)c[nH]c12 76088550 SUVIMUCOECAWCE-CQSZACIVSA-N 314.389 1.549 0 40 DDAB O=C(O)CCCC(=O)N1CCN(Cc2ccccc2F)CC1 32611413 CRVJQKHVIBBZON-UHFFFAOYSA-N 308.353 1.725 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CSC(C)(C)N1C=O 1786718 ILYOTNJRUHYBJK-WDEREUQCSA-N 316.423 1.000 0 40 DDAB biogenic Cc1csc2ncc(C(=O)NCCc3ccccn3)c(=O)n12 79482640 PFKLXXIOOPBREA-UHFFFAOYSA-N 314.370 1.432 0 40 DDAB Cc1c[nH]nc1[C@H]1CCN(C(=O)c2cnc(N(C)C)nc2)C1 72385797 AOMHJGMSMZPZSB-NSHDSACASA-N 300.366 1.204 0 40 DDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)N1[C@H](C)CCC[C@H]1C 79100345 BQSMUFXGLRLKIO-YIYPIFLZSA-N 318.483 1.529 0 40 DDAB Cc1nccn1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72355691 URYYKXXTCLLAHO-ZDUSSCGKSA-N 320.418 1.715 0 40 DDAB CC(=O)c1c(F)cccc1N1CCN(C(=O)CN(C)C)CC1 78393941 SAHSGLRNAXJLKP-UHFFFAOYSA-N 307.369 1.239 0 40 DDAB COCCn1cnnc1[C@H]1CCCCN1c1cc(C)ncn1 72364112 HUWIKPCCIBAAQB-CYBMUJFWSA-N 302.382 1.755 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377807 SDULIRRLLHMDFB-GFCCVEGCSA-N 314.349 1.320 0 40 DDAB CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccoc1 124422534 GBOIFSKNYRCSIK-DGCLKSJQSA-N 310.419 1.884 0 40 DDAB Cc1nnc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)s1 182261861 BTDAMZZINXHOQC-JTQLQIEISA-N 306.347 1.662 0 40 DDAB Cc1nccc(CNC(=O)N[C@H](CO)Cc2ccccc2)n1 79702821 KVBGVGFMRZCUEG-HNNXBMFYSA-N 300.362 1.188 0 40 DDAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCn1ccnc1 40815563 JYOHWAKSWVQMAX-CQSZACIVSA-N 314.345 1.179 0 40 DDAB CSC[C@H](C)C(=O)N1CCN(c2nc(C)ns2)CC1 74022765 RDUMVOMOTXSTIH-VIFPVBQESA-N 300.453 1.494 0 40 DDAB Cc1nn(C)c2cnn([C@H](C)C(=O)NC3CCSCC3)c12 41123760 DOEMXOVZLOLUPA-SNVBAGLBSA-N 307.423 1.651 0 40 DDAB O=C1CCSC[C@@H](C(=O)Nc2cccc3cccnc23)N1 226753992 FOEVSCNFFPNQJY-LBPRGKRZSA-N 301.371 1.795 0 40 DDAB O=C(O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 45796076 PUMDYENESPWWNE-UHFFFAOYSA-N 310.379 1.356 0 40 DDAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2)n1 224239430 UQNPNHYTNCGEJJ-UHFFFAOYSA-N 310.354 1.160 0 40 DDAB CCCN(CC(=O)O)C(=O)c1ccn(-c2ccc(F)cc2)n1 195541765 BDFQWYFBGFYSSP-UHFFFAOYSA-N 305.309 1.948 0 40 DDAB Cc1ccc(N(C)S(=O)(=O)c2cn(CC(C)C)cn2)nn1 194970900 SNDQNLWWIKQYRH-UHFFFAOYSA-N 309.395 1.463 0 40 DDAB O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc2ccccc12 40169250 DQZDFAARQFFNCY-TZMCWYRMSA-N 302.355 1.535 0 40 DDAB O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccncc1)C2 96048711 UKLOQESVCHZENA-GOSISDBHSA-N 323.400 1.891 0 40 DDAB CN(C)C(=O)[C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1 96188773 DYAWGKHKJGUVAN-CYBMUJFWSA-N 304.419 1.665 0 40 DDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(CC3CC3)C2)C1 96048606 YIJKNUCLAVQBFF-NVXWUHKLSA-N 302.422 1.946 0 40 DDAB O=C1CC[C@@]2(CCCN(Cc3csnn3)C2)N1CC1CC1 96071197 JWPSZTQVIMSVMT-OAHLLOKOSA-N 306.435 1.905 0 40 DDAB C[C@@H](CS(C)(=O)=O)NC(=O)C1(Cc2ccccc2)CCC1 96462885 RZTSPGDHLURKLB-ZDUSSCGKSA-N 309.431 1.949 0 40 DDAB COCCCN1C[C@]2(CCCCN2C(=O)c2ccoc2)CC1=O 96217382 NBDXBNLKPQMVRX-KRWDZBQOSA-N 320.389 1.913 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NCC1CCC2(CC1)OCCO2 96446864 QIQHHJZEFBKYHV-OAHLLOKOSA-N 310.438 1.910 0 40 DDAB CCOC[C@H]1CCC2(CCN(C(=O)c3ncccn3)CC2)N1C 96215262 YXUBETCOFMMCHY-CQSZACIVSA-N 318.421 1.582 0 40 DDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 96111056 OZRLFKAEVKHREW-BBWFWOEESA-N 318.417 1.876 0 40 DDAB COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)n[nH]c1C 95472779 KBEPVUPGQIUASQ-NSHDSACASA-N 318.329 1.890 0 40 DDAB C[C@H]1CN(C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H](C)O1 96443459 XNOWSQITMDVGQK-ABNPOPBRSA-N 310.438 1.368 0 40 DDAB CSCCc1nc([C@@H]2CCOC2)n(C2CCN(C)CC2)n1 95522500 WBJDRSNYOCLLBA-GFCCVEGCSA-N 310.467 1.954 0 40 DDAB CO[C@H]1CSC2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 247831599 HMUGEOGPKYYWPS-LLVKDONJSA-N 321.398 1.804 0 40 DDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(CO)C(=O)O)cc1 242701748 WNXKHNGVJWFHIZ-VNHYZAJKSA-N 312.387 1.213 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2cccn2C)n1 257307199 SXPQTGUUWAZXNA-QGZVFWFLSA-N 313.405 1.788 0 40 DDAB O=C(c1cnccn1)N1CCO[C@@H](Cc2ccc(F)cc2)C1 257267802 MIUGFSZOWLTNOD-AWEZNQCLSA-N 301.321 1.699 0 40 DDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1c[nH]cn1 257304671 SMQZYABIPMCTGN-INIZCTEOSA-N 314.389 1.824 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)cn1 257336354 YOBCALNDBNMCRD-GXTWGEPZSA-N 302.378 1.258 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)c(O)n1 257207782 BJFLYAQNXGIYOX-GFCCVEGCSA-N 300.362 1.914 0 40 DDAB CN(C)c1cc([C@H]2CCCN2C(=O)CN2CCOCC2)ccn1 257261475 LHLWNIHFGSBUMP-OAHLLOKOSA-N 318.421 1.143 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCO[C@@H](c2cnccn2)C1 257298264 RKYOUUUDVUHHRI-CQSZACIVSA-N 314.345 1.557 0 40 DDAB Cc1ocnc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257256834 KNBLQCGDIQMPJB-ZDUSSCGKSA-N 316.361 1.658 0 40 DDAB Cc1cnn(C)c1CN1CC[C@H](c2[nH]ncc2C(=O)N(C)C)C1 257331458 XSXRPUSJZLSLCD-LBPRGKRZSA-N 316.409 1.143 0 40 DDAB CO[C@H](CN)CC(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1 262809173 FUNLDHPXJNUWDB-YQQAZPJKSA-N 306.406 1.695 0 40 DDAB Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1 292813221 AITRVOJPEOGFDV-CYBMUJFWSA-N 323.422 1.259 0 40 DDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)N(C)C)C2)c1 575402486 AZKZNCUCJQUEKU-OAHLLOKOSA-N 312.373 1.477 0 40 DDAB COC(=O)C1(NS(=O)(=O)N2CCCC[C@@H]2C)CCCCC1 27969404 BQUMELRDJUMCSF-LBPRGKRZSA-N 318.439 1.571 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)NCCNC(=O)c1ccccc1 31727999 TVAJFHYTINJFLT-JTQLQIEISA-N 318.295 1.500 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1 55414896 PZMXKJILQUFHGA-UHFFFAOYSA-N 313.375 1.273 0 40 DDAB COCCNC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57405656 MSYHWQHHQVHHIV-UHFFFAOYSA-N 311.813 1.225 0 40 DDAB CN1CCC(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 58393635 LZDFMTCMQGXVCL-HNNXBMFYSA-N 317.437 1.151 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n1 76049197 PFPUBAIPEPIMQD-ZDUSSCGKSA-N 317.393 1.029 0 40 DDAB C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CCC[C@H]1C 107546966 NZZQOIQMRLVXHF-AGIUHOORSA-N 321.421 1.792 0 40 DDAB O=C(COC[C@@H]1CCCO1)Nc1ccc2[nH]c(=O)sc2c1 81781907 BKJPOQLSRZLMGQ-JTQLQIEISA-N 308.359 1.724 0 40 DDAB Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)c1 97371727 VSVXLJKLIJDXNA-ZDUSSCGKSA-N 357.400 4.098 0 40 DDAB O=C(CCc1cnc[nH]1)N[C@@H]1CCN(c2ccc(F)cc2)C1 570024980 HCOWOJDBWVZGSP-CQSZACIVSA-N 302.353 1.877 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 574330363 SLXAOOBXQFMGPH-KNDHEWATSA-N 305.378 1.605 0 40 DDAB CCC(=O)N[C@@H]1C[C@@H]2C(=O)Nc3c(C)cccc3[C@@H]2OC1=O 17611171 PLYNMYXRDBMNTN-WDMOLILDSA-N 302.330 1.446 0 40 DDAB COc1ccc(-c2cc3ncn(CC(N)=O)c(=O)c3s2)cc1 18664154 WQWGNSPWAGLQPM-UHFFFAOYSA-N 315.354 1.619 0 40 DDAB Cc1nn(C)cc1NC(=O)CC1CCN(C(=O)C(C)C)CC1 19748836 QFXPMCOSALUUTI-UHFFFAOYSA-N 306.410 1.952 0 40 DDAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 4985800 GBSFMYIQWBJQOE-HNNXBMFYSA-N 319.384 1.708 0 40 DDAB Cc1nc(Cc2noc(-c3ccc(C(=O)N(C)C)cc3)n2)no1 78774037 SECYTYAUORLGCZ-UHFFFAOYSA-N 313.317 1.721 0 40 DDAB O=C(Cn1ncccc1=O)NC[C@@H]1CCCN1c1ccccc1 207992464 FXNOTKWAEWJKTH-HNNXBMFYSA-N 312.373 1.029 0 40 DDAB O=C([C@@H]1CCc2ccccc2O1)N1CC(n2cc(C3CC3)nn2)C1 585149159 JHQLKJLRTPIZDJ-KRWDZBQOSA-N 324.384 1.933 0 40 DDAB C[C@]1(NCc2csc(-c3ccccn3)n2)CCS(=O)(=O)C1 35054507 IHJCDJPDDJCFQZ-AWEZNQCLSA-N 323.443 1.872 0 40 DDAB O=C(COC(=O)c1ccc2ccccc2n1)NC[C@@H]1CCCO1 5700429 CJBOCTMPOZNKGH-ZDUSSCGKSA-N 314.341 1.687 0 40 DDAB O=C1[C@H]2CN(c3ccncn3)C[C@@H]2C(=O)N1Cc1ccccc1 1888849703 PXCAKXBJUUIQLF-KBPBESRZSA-N 308.341 1.098 0 40 DDAB CNC(=O)c1cccc(NC(=O)CCc2c(C)nn(C)c2C)c1 22134451 WAJIIARUSVZSDG-UHFFFAOYSA-N 314.389 1.968 0 40 DDAB COCCN1C(=O)CO[C@H]2CCN(C3CCCCC3)CC[C@@H]21 2037849768 HCMXFXWUHSCJJZ-HOTGVXAUSA-N 310.438 1.657 0 40 DDAB CN1C[C@@]2(COCC1=O)CN(Cc1ccc(Cl)cc1)CCO2 2037983701 CPWVVSZGYYSJNC-INIZCTEOSA-N 324.808 1.400 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)s1 2037985322 FQHOABFAYJDMNR-RYUDHWBXSA-N 323.418 1.079 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1 678814804 LQFOCHKJJAXUQS-SNVBAGLBSA-N 315.464 1.145 0 40 DDAB CCn1nccc1C(=O)N1CC2(C[C@@H](N3CCCC3)CS2)C1 2056224215 GZSBEHAOHZIUSW-CYBMUJFWSA-N 320.462 1.699 0 40 DDAB O=C1CC[C@@]2(CCCN(C(=O)Cc3ccc(F)cn3)CC2)N1 1565547028 JMDBCXQVOMHEMO-MRXNPFEDSA-N 305.353 1.425 0 40 DDAB COc1cnccc1C(=O)N1C[C@@H]2OCCN(C(C)C)[C@H]2C1 1565549952 KPYPCWZRZQEUBU-ZFWWWQNUSA-N 305.378 1.024 0 40 DDAB O=C(CCc1ccc[nH]1)N1C[C@@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565550135 QVEBLXXHXCHCKC-HOCLYGCPSA-N 315.417 1.664 0 40 DDAB O=C(N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1)C1(F)CCC1 1565546527 FWJLKOCQIKCNOW-SWLSCSKDSA-N 320.368 1.541 0 40 DDAB CC(C)n1nc(CN(C)C)c2c1CN(C(=O)c1csnn1)C2 1565553716 CEKQFAMHXCOREL-UHFFFAOYSA-N 320.422 1.533 0 40 DDAB CCC(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738594 BASDDRYVRYDULJ-JTQLQIEISA-N 317.345 1.581 0 40 DDAB O=C1NCCN1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 206705246 CEDGFHLJFBOWKL-GFCCVEGCSA-N 317.267 1.171 0 40 DDAB Cc1cc(O)nc(NC(=O)[C@@H](C)n2nc(C3CC3)ccc2=O)n1 585150003 WQEYDOIRSOTGCJ-SECBINFHSA-N 315.333 1.124 0 40 DDAB O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 13628214 CWTRIYDJEQTLDI-KRXQYRFLSA-N 310.353 1.252 0 40 DDAB CN1CCN(C(=O)/C=C/c2cnn(C)c2)[C@@H](c2ccccc2)C1 30030092 DTNVJDNJWOUKIT-KBOKABMXSA-N 310.401 1.949 0 40 DDAB O=C(CCN1CCSC1=O)Nc1ccc(-n2cccn2)nc1 40493720 PNIAYNZAPFKJST-UHFFFAOYSA-N 317.374 1.765 0 40 DDAB O=C(Nc1ccccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 40466529 TVWXXRFXEJVDML-LBPRGKRZSA-N 308.403 1.660 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(N(C)C)c1 40512752 PRNIRONTYOZQFV-UHFFFAOYSA-N 310.379 1.231 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cnn(C)c2)o1 40528041 JDQPMNHOALOVJM-GXFFZTMASA-N 309.391 1.957 0 40 DDAB O=C(NCCCCN1CCOCC1)c1ccc2c(c1)OCO2 40541025 DCVOTEIQTYHDFD-UHFFFAOYSA-N 306.362 1.258 0 40 DDAB O=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@H]1CCOc2ccccc21 32808722 BUQDDDKXVMNKPC-AAEUAGOBSA-N 307.371 1.575 0 40 DDAB COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCNC[C@H]1OC 404157 OMLDMGPCWMBPAN-WCQYABFASA-N 313.785 1.038 0 40 DDAB Cc1cccnc1NC(=O)N[C@H]1CCCc2c1cnn2CCO 47125432 AVEFLVONFGJWAT-ZDUSSCGKSA-N 315.377 1.778 0 40 DDAB CCOc1ncccc1NS(=O)(=O)C[C@H]1CCCCO1 76936237 CWLUCZKHAPVNAK-LLVKDONJSA-N 300.380 1.791 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C)ccc1=O 77737048 XGVHAXHVMQHVAS-QWHCGFSZSA-N 319.405 1.749 0 40 DDAB CCOC(=O)[C@H]1C(=O)C[C@@H]2c3nc4ccccc4cc3CN2C1=O 1722628 HMPKMPLZVHVHOX-HIFRSBDPSA-N 324.336 1.770 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1ccccc1 42026720 FAUZWLDVNNHFOU-GJZGRUSLSA-N 307.415 1.655 0 40 DDAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)CN1CCCCC1)C2=O 3905387 SFPMCNGQOVTBMP-LBTNJELSSA-N 322.449 1.645 0 40 DDAB OCCN(CCO)CCOc1cccc(Br)c1 42222140 AXHDJCNEQIVJCH-UHFFFAOYSA-N 304.184 1.115 0 40 DDAB COc1ccc(-c2noc(CNC(=O)CC(C)=O)n2)cc1OC 4488012 BOGDGIPAAYJGHD-UHFFFAOYSA-N 319.317 1.349 0 40 DDAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@H](O)[C@H]1NC(C)=O 4531032 UEPLFYOSRDQVTQ-ZXXIGWHRSA-N 319.401 1.807 0 40 DDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1 813658 XCBOYUBZKUUVRN-UHFFFAOYSA-N 319.386 1.164 0 40 DDAB COc1cccc(C2(O)CCN(CC(=O)NCC3CC3)CC2)c1 4985082 FWLCPBJHWKXKTR-UHFFFAOYSA-N 318.417 1.505 0 40 DDAB COc1ccc(CCNC(=O)C(=O)NCC(C)C)cc1OC 3058062 DNCLHUYMDIXRGQ-UHFFFAOYSA-N 308.378 1.135 0 40 DDAB biogenic COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(C)CC1 42623938 QCYDVEPUZIKENJ-UHFFFAOYSA-N 312.391 1.357 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccccn1 12557606 FITXXAKSHCHNGJ-SWLSCSKDSA-N 312.373 1.605 0 40 DDAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc1 12543229 SHVIJIIYVGLTKR-UHFFFAOYSA-N 319.386 1.893 0 40 DDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ccoc1)CC2 108532623 CXPQSZPULKAUEK-UHFFFAOYSA-N 320.389 1.771 0 40 DDAB C[C@@H](NC(=O)CN1CCCN(C(N)=O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 108078194 ZQXOFQXMVQZLOE-QPSCCSFWSA-N 322.453 1.014 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CCC[C@H](C(=O)O)C1 22158446 HGGRXUQFSMXHGH-QMMMGPOBSA-N 315.167 1.724 0 40 DDAB CC[C@](C)(NC(=O)/C=C/c1ccc(C(=O)OC)cc1)C(=O)OC 58181638 JHAKXOOUNONTGB-YRYLYKBFSA-N 319.357 1.944 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)C1=NN(C)C(=O)CC1 44891647 SKJUEDZUDYEVHI-UHFFFAOYSA-N 301.346 1.583 0 40 DDAB CC(C)[C@@H](C(=O)NCc1cccnc1)N1C[C@@H](C)O[C@H](C)C1 58292525 QMNAMPFHFZDVBY-FMKPAKJESA-N 305.422 1.832 0 40 DDAB Cc1cc(-c2nnn(CC(=O)NCc3ccco3)n2)ccc1F 58208762 YBOAUYCOQVCHHN-UHFFFAOYSA-N 315.308 1.697 0 40 DDAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cn1 48251175 KDWIKKTZVZQOSD-AWEZNQCLSA-N 324.344 1.499 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)c1 44936278 HCWGULASDONSPY-VHSXEESVSA-N 315.391 1.314 0 40 DDAB C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)N1CCOCC1 44910726 BZBMXWPYDSRJDB-NSHDSACASA-N 318.826 1.910 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C/C=C/C(=O)O)c1 44980280 ZQGYQZHZXMPYOA-DUXPYHPUSA-N 317.750 1.713 0 40 DDAB Cc1cnn(CC(=O)Nc2ccn(CCc3ccccn3)n2)c1 58392524 DERGRMQLEGREFE-UHFFFAOYSA-N 310.361 1.664 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(Cl)c1 175677030 USUNILJSHIIAOI-UHFFFAOYSA-N 304.799 1.868 0 40 DDAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)N(C)C 45856342 GURYSDRSKDQETQ-DTWKUNHWSA-N 321.402 1.326 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCCN(C[C@H]2CCCO2)CC1 65440603 QDSCGQZCKKWTLS-CQSZACIVSA-N 319.405 1.879 0 40 DDAB COC[C@@H](C)NC(=O)N[C@H](c1ccccc1F)c1nccn1C 65424140 CWOPFLHDANANRX-BXUZGUMPSA-N 320.368 1.983 0 40 DDAB CCCCCS(=O)(=O)CC(=O)Nc1cccnc1N(C)C 65588715 OAFYKIFDFUYBIP-UHFFFAOYSA-N 313.423 1.691 0 40 DDAB CCN(CCO)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391677 QHSQNSZEIQRRNW-MRXNPFEDSA-N 306.406 1.959 0 40 DDAB CCn1ncc(Cl)c1C(=O)N1N=CC[C@]1(O)C(F)(F)F 6490073 SLJRZDGBQULTEK-VIFPVBQESA-N 310.663 1.639 0 40 DDAB CCN(CC)Cc1ccc(CNc2ccc3nnnn3n2)cc1 14135774 JLXZNCQFDXXOCV-UHFFFAOYSA-N 311.393 1.973 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(c2nccs2)CC1 14350758 ZXDBVOWWHGFHOS-UHFFFAOYSA-N 319.434 1.385 0 40 DDAB Cc1c(C(=O)O[C@H](C)CN2CCOCC2)cnn1C(C)(C)C 96010301 KCRSZKXOBUYOBY-GFCCVEGCSA-N 309.410 1.824 0 40 DDAB O=C(N[C@@H]1CCSC1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4815883 MABKNRCSDAHHRS-JOYOIKCWSA-N 322.361 1.327 0 40 DDAB Cc1nnc(SCC(=O)N2CCNC2=O)n1C1CCCCC1 5865397 RRCBZNZVFAEKPB-UHFFFAOYSA-N 323.422 1.736 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1C 7215656 DFHZIXGZZCQSKE-UHFFFAOYSA-N 312.435 1.839 0 40 DDAB COc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1 7385605 ZWUGIMUJAIZODX-UHFFFAOYSA-N 308.363 1.407 0 40 DDAB CNC(=O)C1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 68387318 RHSLFGDAPCHPHM-CYBMUJFWSA-N 317.433 1.758 0 40 DDAB CCCOc1ccc(OCCNC[C@H]2CN(C)CCO2)cc1 72267993 SEBZKSVMOYSVPG-KRWDZBQOSA-N 308.422 1.774 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)Cn2cncn2)C12CCCC2 96439844 GFNNJDJCWFFSCF-BFHYXJOUSA-N 321.425 1.704 0 40 DDAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N[C@@H]1CCN(C)C1=O 96440688 WLWZUIGOHCMFFL-LSDHHAIUSA-N 303.406 1.846 0 40 DDAB O=C(NC1CCC(O)CC1)c1ccc(N2CCCC2=O)cc1 8076032 WYGAJIGSMJSPON-UHFFFAOYSA-N 302.374 1.847 0 40 DDAB CCN(CC)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8041123 JCMWIQXYTNXINE-UHFFFAOYSA-N 320.361 1.599 0 40 DDAB O=c1[nH]nc(SCCOc2ccccc2)n1C[C@H]1CCCO1 68901475 WVMNVTZYXQQIOS-CYBMUJFWSA-N 321.402 1.922 0 40 DDAB COc1ccccc1C(=O)Nc1ccc(OCC(N)=O)cc1 8156442 RICOGLPFFRIPHM-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)[C@H](C)CO1 69369918 HVUOHIQAXPETBK-BETSRAJUSA-N 316.401 1.840 0 40 DDAB CCN(C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 69492629 PIIAEZNARMAHRE-UHFFFAOYSA-N 324.450 1.758 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 17303821 BIVNWNBCGBPKMR-UHFFFAOYSA-N 315.354 1.641 0 40 DDAB O=C(COc1ccccc1)NS(=O)(=O)C[C@H]1CCCCO1 69631314 UKMKJJXERCOROY-CYBMUJFWSA-N 313.375 1.081 0 40 DDAB Cc1nccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)n1 71924633 NJJQTAGOFFXMAF-NWDGAFQWSA-N 319.409 1.374 0 40 DDAB Cn1cc(Cl)cc1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 97147026 HJENKZYMHRXDBS-LBPRGKRZSA-N 309.728 1.774 0 40 DDAB CN(C)CCN(Cc1cccnc1)C(=O)NC[C@H]1CCCO1 69844337 URHZNXSOEDDCAZ-OAHLLOKOSA-N 306.410 1.334 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC 69841293 QIEZLYAPBCOTCJ-SOUVJXGZSA-N 324.469 1.689 0 40 DDAB O=C(CCOCC(F)(F)F)N1CCC[C@H]1Cn1cccn1 69967259 WXRGAXMLEGMEST-NSHDSACASA-N 305.300 1.843 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1ccc(Br)cn1 69950330 YJBJTSUCWNKHAR-ZETCQYMHSA-N 309.185 1.157 0 40 DDAB Cc1cc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)on1 69933940 TXSFYHNRFHLVJR-CQSZACIVSA-N 322.409 1.237 0 40 DDAB CC(C)n1nccc1NC(=O)N1CCC(Cn2ccnn2)CC1 95435465 MUOCOODUYJKKLA-UHFFFAOYSA-N 317.397 2.000 0 40 DDAB COC(=O)C[C@@H]1CN(Cc2c(C)nc3ccccn23)CCO1 95413180 CQDDGONNBPXTRU-CYBMUJFWSA-N 303.362 1.407 0 40 DDAB CCc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)o1 95415487 HXEMTFPVWXVXGM-LSDHHAIUSA-N 312.435 1.193 0 40 DDAB C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccon1 95464745 PUKRLNJYHAMPJB-VIFPVBQESA-N 312.322 1.862 0 40 DDAB O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc[nH]1 89830436 PXSBVMDDHBXIOF-OAHLLOKOSA-N 311.385 1.978 0 40 DDAB C[C@@]1([C@H]2CCCN(Cc3cccc(F)c3F)C2)NC(=O)NC1=O 76059120 QHJWGFASMXDISY-ZBEGNZNMSA-N 323.343 1.775 0 40 DDAB Cc1noc(C)c1CN1CCN(C[C@@H](O)COC(C)C)CC1 61721924 CBQPBWDMZYDOEC-OAHLLOKOSA-N 311.426 1.195 0 40 DDAB COCc1nn(CC(F)F)cc1I 408717008 UTBRCWIGCCHZLU-UHFFFAOYSA-N 302.062 1.899 0 40 DDAB CN(C)C(=O)NCC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21 306136082 PIODZIRWXLLPSK-CQSZACIVSA-N 317.393 1.694 0 40 DDAB Cc1noc(CCNC(=O)CC2(n3cccc3)CCOCC2)n1 524734320 SIXFOOFUGXDOJJ-UHFFFAOYSA-N 318.377 1.434 0 40 DDAB O=S(=O)(CC12CCC(CC1)C2)NC[C@@H](O)[C@@H]1CCCO1 528483583 GSVUVSLMLCWGGY-DKNRTOFZSA-N 303.424 1.026 0 40 DDAB COC(=O)C(C)(C)NC(=O)C[C@H](NC(C)=O)c1cccs1 32816764 IQBXZGCQVKQYPB-JTQLQIEISA-N 312.391 1.383 0 40 DDAB C[C@H]1CN(C[C@H](O)COCc2ccc3c(c2)OCO3)C[C@H](C)O1 36283714 YSZPCSVPTVDBNN-YDHLFZDLSA-N 323.389 1.402 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)CN1 78607615 NMYITOYBBUAMLW-SNVBAGLBSA-N 318.764 1.990 0 40 DDAB COCCCn1ccc(NC(=O)N(C)Cc2ccncc2)n1 77513038 OCGCTFRZPFENHD-UHFFFAOYSA-N 303.366 1.979 0 40 DDAB Brc1nc(Br)n(CC2OCCO2)n1 71978771 PFDSUBBZOJORJG-UHFFFAOYSA-N 312.949 1.176 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(-n2cncn2)cc1 71285056 UZYSTBBBALVSII-VXGBXAGGSA-N 300.318 1.563 0 40 DDAB Cc1cccc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)c1 77842472 JZNLGMQZZVOLRL-UHFFFAOYSA-N 316.361 1.799 0 40 DDAB Cc1ccc(CNS(=O)(=O)c2cnn(-c3ccccn3)c2)o1 72239034 KSMGEEZLUPJLGZ-UHFFFAOYSA-N 318.358 1.647 0 40 DDAB COc1cccc(CNC(=O)c2nc(-c3cnccn3)no2)c1 44122151 WJELWSYTKDKDSN-UHFFFAOYSA-N 311.301 1.465 0 40 DDAB Cc1ccc(=O)n([C@H](C)C(=O)NCCOc2ccccc2)n1 44395232 IKFQZRQNZBNRSS-CYBMUJFWSA-N 301.346 1.308 0 40 DDAB O=C1C[C@@H](NC[C@]2(O)CCSC2)CCN1c1ccccc1 193137159 NLUXDDSDPFYLQB-XJKSGUPXSA-N 306.431 1.640 0 40 DDAB C[C@@]12CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]1[C@@H]1C=C[C@H]2C1 575010025 UMBGOBIEHQBJLY-OSFYFWSMSA-N 309.431 1.624 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC(C)(C)C)CC2=O)c(OC)c1 42630834 BPRQKUQCFIDQNI-LLVKDONJSA-N 320.389 1.971 0 40 DDAB COC(=O)C[C@@H]1CN(c2ccc(Br)cn2)CCO1 89400751 FMWFPHPOUDGVTC-SNVBAGLBSA-N 315.167 1.612 0 40 DDAB O=C(O)CC1CCN(c2ncnc3c2ncn3C2CC2)CC1 572410046 MDRZFJOXRKQVEE-UHFFFAOYSA-N 301.350 1.852 0 40 DDAB NC(=O)CN1CCC(N[C@H]2CCCOc3cc(F)ccc32)CC1 195557611 BAPPYKXNHOKKMR-HNNXBMFYSA-N 321.396 1.579 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccoc3)C2)n1 225403819 UJWDHHZFLACDRP-LBPRGKRZSA-N 302.334 1.429 0 40 DDAB O=C(CCCn1ccnc1)N[C@@H]1CCCN(c2ccccn2)C1 131174171 MQVCRQNBHQCYJI-OAHLLOKOSA-N 313.405 1.844 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2nnc(C)s2)no1 84280920 VDKOKAPWSNNPBX-VIFPVBQESA-N 308.367 1.314 0 40 DDAB CCOc1cc(N2CCC[C@H]2CN2CCC[C@@H]2CO)ncn1 195567112 GMRFPNJPXXEXLP-UONOGXRCSA-N 306.410 1.301 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 96436921 VUWKZSRETJYJNJ-UHFFFAOYSA-N 320.780 1.742 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1cccs1)CCC2 96059560 HJVSEYBGBWNXKE-UHFFFAOYSA-N 318.446 1.772 0 40 DDAB c1csc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)n1 96056249 YKHLMYUBVXAMSM-SOUVJXGZSA-N 323.462 1.312 0 40 DDAB COCCn1cc2c(n1)[C@H](CNCC1CCOCC1)OCC2 96044332 SJCDPXNKDHBARS-HNNXBMFYSA-N 309.410 1.160 0 40 DDAB COc1ccc(N2CCC[C@@H](C(=O)Nc3nccs3)C2)nn1 95473303 DKYUIQRNYWKEGR-SNVBAGLBSA-N 319.390 1.797 0 40 DDAB O=C([C@H]1CCOC1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96245162 ZCUJJFHLWQJWAE-YDHLFZDLSA-N 300.358 1.144 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](CN)CC(C)C)c(C)c1 95432087 OFYTTWFQDLFNBX-LBPRGKRZSA-N 300.424 1.655 0 40 DDAB CC(=O)N1Cc2cncn2C[C@@H](COCC2CCOCC2)C1 96218148 NDTDWVYFIJKLME-HNNXBMFYSA-N 307.394 1.305 0 40 DDAB CCN1CCOC[C@]2(CCCN(C(=O)c3ccnnc3)C2)C1 96049607 VUMLVLBBPVNDGQ-MRXNPFEDSA-N 304.394 1.051 0 40 DDAB O=C([C@H]1CN(c2ncc(F)cn2)C[C@H]2OCC[C@H]21)N1CCCC1 97953632 SMODEVXAQWGHDP-MELADBBJSA-N 320.368 1.079 0 40 DDAB CN(C)[C@@H]1CN(C(=O)CCc2ccccc2)[C@@H]2CCCO[C@H]12 96185772 AUKRDDSTWNSYJJ-NUJGCVRESA-N 302.418 1.939 0 40 DDAB C[S@@](=O)c1ccc(NC(=O)N2CCC[C@@H]2CO)cc1F 96447180 KYFXQPNYXWZRES-SBKAZYGRSA-N 300.355 1.552 0 40 DDAB CC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C 247949004 QCQJIBVMSAECAT-JTQLQIEISA-N 302.334 1.329 0 40 DDAB CCCn1ccc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)n1 257224623 FCPAXGXQQNUFRP-ZDUSSCGKSA-N 303.366 1.538 0 40 DDAB COc1ccc(CCCC(=O)N[C@H](CC(=O)O)C(=O)O)cc1 62457812 FGBZLNUJYKUKKJ-GFCCVEGCSA-N 309.318 1.062 0 40 DDAB O=C(/C=C/c1ccccc1F)N1CC[C@](O)(CN2CCCC2)C1 257247161 IXSVXAFRBRVWTQ-DVBCCOPCSA-N 318.392 1.898 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCCC3)C1 257262808 LMZZVKQJZGJRLZ-GOSISDBHSA-N 302.418 1.704 0 40 DDAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1O 524731567 CCHDDLBSMLJUHP-NSHDSACASA-N 315.325 1.849 0 40 DDAB biogenic CC(=O)N1CCO[C@@](C)(C(=O)NCc2ccccc2Cl)C1 257236985 HERVURQNCQOQMA-OAHLLOKOSA-N 310.781 1.594 0 40 DDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2CC(N)=O 257237098 HFEAQYUNGXJYLI-BQFCYCMXSA-N 315.417 1.341 0 40 DDAB CNC(=O)c1cnn2c([C@H]3CCN(C4CCCC4)C3)ccnc12 257236406 HBZRZEPPPBZBFK-LBPRGKRZSA-N 313.405 1.821 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)Cc2cccnc2)cc1 257331738 XUAXMHQYQBWTME-KRWDZBQOSA-N 311.385 1.806 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CCN1CCOCC1 257334745 YHFHSWHKYHPFRU-AWEZNQCLSA-N 306.410 1.494 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2cnn([C@@H]3CCOC3)c2)cc1 96123020 AWRYIXNUWJQJRJ-CQSZACIVSA-N 315.329 1.883 0 40 DDAB CN(C)C(=O)CO[C@H]1CN(C(=O)C2CCC2)Cc2cccn2C1 575402777 BWTAVMUAYKAGEE-OAHLLOKOSA-N 319.405 1.104 0 40 DDAB C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[S@]1=O 573505392 FCWAXFVYTLDDQA-XGISUXEOSA-N 301.433 1.436 0 40 DDAB O=C(c1ccccc1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 585107701 DLECJWUAXGWXME-MSOLQXFVSA-N 323.396 1.807 0 40 DDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1c1ncccn1 72368946 BJNUIHKZJVNXJT-HNNXBMFYSA-N 312.373 1.895 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F 72307506 AYKMTXVNUWKIAB-UHFFFAOYSA-N 307.318 1.782 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(=O)NC2CC2)CC1 55914242 LZSUAXAAGVSDRY-OKILXGFUSA-N 321.465 1.767 0 40 DDAB Cc1cc(C)n(CCNC(=O)C(=O)NCCC2=CCCCC2)n1 38717805 IRLGJXUMTNBFQJ-UHFFFAOYSA-N 318.421 1.623 0 40 DDAB CCn1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c2cccnc21 12117529 YDAIQLAQEDJUNB-LBPRGKRZSA-N 302.378 1.619 0 40 DDAB O=C(c1ccccn1)C1CCN(C(=O)CCN2CCCC2)CC1 12145714 BNBPLKHAVGCOKN-UHFFFAOYSA-N 315.417 1.989 0 40 DDAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N)CC1(CCOCC1)O2 12337518 WBXSWGUVHAYREP-JSGCOSHPSA-N 304.390 1.831 0 40 DDAB O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 14153171 MKAHYFDWBYQDED-UHFFFAOYSA-N 308.334 1.743 0 40 DDAB COc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c(OC)c1 19937448 QEWFPYSNXOMGGU-UHFFFAOYSA-N 317.345 1.585 0 40 DDAB O=C(c1ncccn1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220764191 ANQCPZHDUIQBKF-LLVKDONJSA-N 313.361 1.832 0 40 DDAB O=C(NN1C[C@@H](C(=O)O)CC1=O)c1ccc(Cl)cc1Cl 4555490 URPPIUACTSHDKN-LURJTMIESA-N 317.128 1.571 0 40 DDAB COC1(CNS(=O)(=O)c2ccccc2)CCSCC1 252570836 XJVRRLWPQPEAIQ-UHFFFAOYSA-N 301.433 1.877 0 40 DDAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CO2 575615012 APWZPMHDLSWLND-NWDGAFQWSA-N 310.375 1.115 0 40 DDAB COc1ccc2sc(N3CC[C@@]4(C3)NC(=O)NC4=O)nc2c1 1888865603 CKACFTUOZFJWPZ-AWEZNQCLSA-N 318.358 1.093 0 40 DDAB O=C([C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCCC1 1889122749 ZQUMPNGVKJDVBU-HNNXBMFYSA-N 310.344 1.788 0 40 DDAB CSCCCNC(=S)NCC(C)(C)N1CCOCC1 15348802 JKNVAVOTICEYMD-UHFFFAOYSA-N 305.513 1.314 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 247964221 ASVXPRLCVSKYAM-MRXNPFEDSA-N 303.450 1.760 0 40 DDAB Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1 4496309 BJNPYQBMKNFEHE-UHFFFAOYSA-N 312.322 1.925 0 40 DDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1cccc2ccccc12 5258062 GTFVUDLSGJYNIY-OAHLLOKOSA-N 316.357 1.594 0 40 DDAB CCC(CC)C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570822 OHNOBOQDIGMXJA-UHFFFAOYSA-N 309.320 1.993 0 40 DDAB CN(C)[C@H]1COC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 2055837465 GGSLLCFYMJQQPR-OAHLLOKOSA-N 305.422 1.659 0 40 DDAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2ccc(F)cc2)CC1 2086866043 LHFLHLOIFNFAKW-AWEZNQCLSA-N 307.413 1.856 0 40 DDAB Cc1cc(C(=O)NCCn2ccnc2-c2cnccn2)c(C)o1 575609380 KSSSQPNMEDFTAU-UHFFFAOYSA-N 311.345 1.980 0 40 DDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)[C@@H]1CCOC1 238845867 IHTSUWCQBOSMBD-DYVFJYSZSA-N 305.374 1.372 0 40 DDAB CC(C)Cc1nc(Cn2nnn(-c3cccs3)c2=O)no1 31793862 YHUJDHCPOLPUQK-UHFFFAOYSA-N 306.351 1.120 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cn1 31499731 JQZBBYNVOILFGQ-CYBMUJFWSA-N 308.345 1.805 0 40 DDAB CN(C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 40457455 NXPNUEVYWFKSDX-ZDUSSCGKSA-N 321.421 1.332 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)o1 31547944 GUBPRHYCMGQWSU-UHFFFAOYSA-N 316.285 1.718 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)COCc2ccccc2)C1 40522993 NJVIEFOHDKBNBN-HNNXBMFYSA-N 314.389 1.738 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 40553888 IJMSNXHXCWEZRV-GJZGRUSLSA-N 300.362 1.601 0 40 DDAB CN(C(=O)c1cc(-c2ccco2)on1)[C@@H]1CCS(=O)(=O)C1 40641737 LRKXOPPZAZXIFI-SECBINFHSA-N 310.331 1.194 0 40 DDAB CN(CC(N)=O)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 52831946 QZVYCMXXMFMIHE-UHFFFAOYSA-N 317.311 1.081 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ccc(Cl)nn2)C1 102905583 LOZAKIWYZONRSD-QWRGUYRKSA-N 302.765 1.915 0 40 DDAB CCN1CCC[C@@H](NC(=O)c2cccnc2OCCOC)C1 53150516 PNAALZLLFYFQPR-CYBMUJFWSA-N 307.394 1.321 0 40 DDAB CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)C(=O)OCC 1628691 KURZYSGABYFVJO-UHFFFAOYSA-N 306.314 1.983 0 40 DDAB CCCCC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)[nH]1 53946118 MNTWPJTWLMQNJC-UHFFFAOYSA-N 323.378 1.734 0 40 DDAB CC(C)CN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 4854667 QXOQTVAJABKEQV-CQSZACIVSA-N 303.337 1.932 0 40 DDAB CCN(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)c1ccccc1 106868936 CWVGZXSYEQCIHC-DOTOQJQBSA-N 319.449 1.204 0 40 DDAB Cc1ccc(F)c(CN[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)c1 106918523 YZJXJVDFJMVJAS-DOMZBBRYSA-N 314.426 1.894 0 40 DDAB O=C(COc1ccc(F)cc1F)N[C@@]1(C(=O)O)CCSC1 43510320 YEHXRQUOZPIZBL-ZDUSSCGKSA-N 317.313 1.420 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NCCN2CCCCC2)cc1 47958687 RPKYAWFBAPWFTC-UHFFFAOYSA-N 312.391 1.149 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1=O 107144062 YTKKBUNJRHSDGA-BZUAXINKSA-N 316.401 1.579 0 40 DDAB Cc1ccc2nc(Cl)c([C@@H]3NC(=O)[C@H]4C[C@@H](O)CN43)cc2c1 35344085 KGEXJMPMYHMYIU-WDBKCZKBSA-N 317.776 1.760 0 40 DDAB CC(C)(C)c1ccc(C(=O)NC(=S)Nn2cnnc2)cc1 3261354 SXGIJRWQTBRQDU-UHFFFAOYSA-N 303.391 1.834 0 40 DDAB C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1nc2ccccc2[nH]1 44332777 YJILHYBKCISNFS-QWRGUYRKSA-N 300.362 1.609 0 40 DDAB COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)cc1F 44466388 COKTYXHKPZOBLT-LHLIQPBNSA-N 300.217 1.355 0 40 DDAB O=C(O)[C@H]1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 108654815 ZIBKHZJLVZZJSF-STQMWFEESA-N 318.377 1.016 0 40 DDAB COCc1cccc(CNC(=O)[C@H](C)NC(=O)c2ccoc2)c1 48252869 XJAJTCLYZDPAOJ-LBPRGKRZSA-N 316.357 1.861 0 40 DDAB O=C(NCCCn1ccnc1)N[C@@H]1c2ccccc2C[C@@H]1O 48230952 JFFRHWOIYLZAMP-LSDHHAIUSA-N 300.362 1.231 0 40 DDAB CCOC(=O)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 3303333 WIEWCUYYGJROKL-GFCCVEGCSA-N 301.350 1.442 0 40 DDAB Cc1cc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)no1 44971813 AQLVJMVQXRQAMA-LLVKDONJSA-N 302.338 1.564 0 40 DDAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccnc1-n1cccn1 108784842 XDCOJCZRRAFIJZ-ZDUSSCGKSA-N 311.389 1.481 0 40 DDAB O=C1CC(c2ccccc2)=NN1c1ccc(-n2cccn2)nn1 44978420 FCJIQDUOQIJUMI-UHFFFAOYSA-N 304.313 1.803 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CCO1 44918529 FXXICJKVJQHIJU-CQSZACIVSA-N 313.357 1.484 0 40 DDAB CC(=O)NCCC(=O)NCc1ccnc(OC2CCCCC2)c1 58332444 FODSMQPKWORPNJ-UHFFFAOYSA-N 319.405 1.936 0 40 DDAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c1 48345248 CRLXGPSGXILKAC-DZGCQCFKSA-N 318.373 1.470 0 40 DDAB COc1ccc(CCNC(=O)CCNC(=O)c2ccco2)cc1 12802007 CKIKBFLEJLVAKD-UHFFFAOYSA-N 316.357 1.767 0 40 DDAB CC(C)C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O 49546295 PXMOFKLSGOOJRU-ZDUSSCGKSA-N 317.345 1.012 0 40 DDAB Cn1c(=O)n(C)c2cc(NC(=O)c3cn4ccccc4n3)ccc21 64408093 MHAVYZQZPQXCJT-UHFFFAOYSA-N 321.340 1.777 0 40 DDAB CC[C@H](C)NC(=O)NCc1ccc(OCC(N)=O)c(OC)c1 65537252 XHVRTVWLACNZPM-JTQLQIEISA-N 309.366 1.157 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ncc(C(N)=O)s1 14170110 VRBZQKKZURMSOX-ZETCQYMHSA-N 309.322 1.787 0 40 DDAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)c1ccc[nH]1 6605465 DBAULFJFIGSSPY-UHFFFAOYSA-N 314.370 1.923 0 40 DDAB CC(C)N1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408962857 KKSMQMRDIZOQEC-GHXNOFRVSA-N 320.370 1.995 0 40 DDAB CC(C)c1nnc(CN2CCC[C@H]2C(=O)N2CCSCC2)o1 67117676 HFCZAAKWRQQOSO-LBPRGKRZSA-N 324.450 1.733 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 71851737 ACDFIMIOCUPTBE-VXGBXAGGSA-N 312.410 1.529 0 40 DDAB COc1ccccc1NC(=O)CSc1ccc2nncn2n1 96118072 LEVZEWFSGLGFHZ-UHFFFAOYSA-N 315.358 1.864 0 40 DDAB O=C(NC1=NCCS1)c1ccc(S(=O)(=O)C(F)F)cc1 7758950 XQGVAPIESAWYSR-UHFFFAOYSA-N 320.342 1.516 0 40 DDAB CCN(Cc1cccc(F)c1)C(=O)Cn1cc(C(=O)OC)nn1 81127543 LSGKFYHAKSZXNW-UHFFFAOYSA-N 320.324 1.253 0 40 DDAB O=C(O)c1csc(CCNC(=O)[C@@H]2Cc3ccccc32)n1 90983440 RVYPWFSZLOYVFI-LLVKDONJSA-N 302.355 1.840 0 40 DDAB Cc1noc(C)c1CC(=O)NCCc1ccc2c(c1)OCCO2 7989357 ALRJNBCHBCSZSX-UHFFFAOYSA-N 316.357 1.964 0 40 DDAB C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)NCCc1cccs1 69371173 UEYQOMZXQXILRA-STQMWFEESA-N 306.435 1.670 0 40 DDAB CCN1CCN(c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)CC1 9698244 WPSDNOOAXVDGNH-UHFFFAOYSA-N 312.417 1.811 0 40 DDAB CC(C)(C)c1ccc(C2(C(=O)NCCS(N)(=O)=O)CC2)cc1 69662161 OCVNREQLQJEUDV-UHFFFAOYSA-N 324.446 1.420 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 82312849 ZEPKSCXPBPMTFZ-UHFFFAOYSA-N 315.822 1.824 0 40 DDAB NC(=O)[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CCO1 96451983 BAVBJDPZXNPIQP-ZDUSSCGKSA-N 316.323 1.824 0 40 DDAB O=C(Cc1cccs1)N1CCCN(c2cccnn2)CC1 69947755 GMRGTXZLYWAGQU-UHFFFAOYSA-N 302.403 1.820 0 40 DDAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 8753568 KVERANIFBWETIX-UHFFFAOYSA-N 316.313 1.433 0 40 DDAB NC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12 72014928 WTPLHTWZJKGBMG-UHFFFAOYSA-N 316.342 1.463 0 40 DDAB O=[S@](CCN1CCCC[C@@H]1Cn1cncn1)c1ccccc1 72253343 LTHBSYKGMPGDKO-QRQCRPRQSA-N 318.446 1.940 0 40 DDAB CCCCc1ccc(CC(=O)N[C@H](C(=O)OC)[C@H](C)O)cc1 97162849 DODQMWGVDNTAOQ-LRDDRELGSA-N 307.390 1.610 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC/C=C/c1ccccc1 72300576 LTNZIGDYZJIDGZ-NZJBMZQBSA-N 308.447 1.959 0 40 DDAB Cc1nnc2ccc(N3CCN(C4=NC[C@H](C)S4)CC3)nn12 95407801 GDTVSABMXOBKOH-JTQLQIEISA-N 317.422 1.046 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCC[C@]2(C)CO)s1 95442314 BPHXPQZLXADEQY-ZYHUDNBSSA-N 304.437 1.589 0 40 DDAB Cc1nc(N2CCNC(=O)CC2)c2c3c(sc2n1)CCC3 73120292 VBOCHZUZAZSWQE-UHFFFAOYSA-N 302.403 1.815 0 40 DDAB COC(=O)c1sc(NS(=O)(=O)c2cnc(C)[nH]2)nc1C 89562688 JRTUWVNGDKKXIG-UHFFFAOYSA-N 316.364 1.070 0 40 DDAB Cc1cccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)n1 75136931 QUMJBPKXLFPEOW-HNNXBMFYSA-N 303.406 1.717 0 40 DDAB Cc1nc([C@@H]2CCCN(c3c(C)c(C)nc4ncnn34)C2)no1 76050231 UGPJXWHXNCFORP-GFCCVEGCSA-N 313.365 1.817 0 40 DDAB O=C(Nc1cnc2n1CCCC2)c1cc(=O)nc2sccn12 67789178 SBUPSPNFRWHFDB-UHFFFAOYSA-N 315.358 1.541 0 40 DDAB COCc1nc(OC)cc(N2CCC(c3ncccn3)CC2)n1 1548523238 PUMOFXMGBOMPHL-UHFFFAOYSA-N 315.377 1.806 0 40 DDAB Cc1c(F)cccc1-n1nnc(C(=O)N2CCOCC2)c1C 67283419 BYFXNGGJVWYOQM-UHFFFAOYSA-N 304.325 1.496 0 40 DDAB COC(=O)c1cn(Cc2cccc(Br)c2)nc1N 408717309 YFDHCKRMXVCTLL-UHFFFAOYSA-N 310.151 2.063 0 40 DDAB O[C@H]1CCCN(Cc2cc(-c3ccccc3)cn3nnnc23)C1 72392380 HCJNWVMGYPREGU-INIZCTEOSA-N 309.373 1.748 0 40 DDAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCN1CCOCC1 30862653 QTFUDZWSHBHUJM-KRWDZBQOSA-N 320.433 1.909 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1 72238049 RQNJOAVQEVGKFE-IAGOWNOFSA-N 316.401 1.988 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)COC 218463361 HVXSZJKHIWFJJU-MELADBBJSA-N 317.838 1.832 0 40 DDAB CCN(C(=O)CN)C1CCN(C(=O)OCc2ccccc2)CC1 79392910 VYVQYEHUUCOMSO-UHFFFAOYSA-N 319.405 1.595 0 40 DDAB Cc1ccc(CN2CCO[C@@](C)(C(=O)N3CCOCC3)C2)s1 72379867 XNWWHZLOEUFTLA-MRXNPFEDSA-N 324.446 1.506 0 40 DDAB Cc1ccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1 377843503 IOTQVKALPNLOPO-UHFFFAOYSA-N 308.447 1.995 0 40 DDAB C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cncs2)C1 72388818 MTNNNHQUEDHQMD-CQSZACIVSA-N 319.390 1.159 0 40 DDAB Cc1nn(C)c(NS(=O)(=O)c2c[nH]c3ncccc23)c1C 78612480 COYJHEWXBMBPST-UHFFFAOYSA-N 305.363 1.714 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 74689362 WTEKPWUHOJTPBI-ZBFHGGJFSA-N 318.417 1.966 0 40 DDAB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccccc1Cl 40386541 ZHBHBHPJRKMPOE-MRVPVSSYSA-N 305.725 1.529 0 40 DDAB Cc1nn(C(C)C)c2cnn(CC(=O)NCc3ccncc3)c12 46087543 RFUCKNIIGDHOTO-UHFFFAOYSA-N 312.377 1.834 0 40 DDAB CN1CC(=O)N(C(=O)Cc2cccs2)c2ccccc2C1=O 40385883 NEMCPOMXYFXHHF-UHFFFAOYSA-N 314.366 1.936 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1 224194561 WMWLEGWTSRZQPX-UHFFFAOYSA-N 306.391 1.330 0 40 DDAB COc1cccc(C(=O)NCc2nc(C)cc(N(C)C)n2)c1 224185433 QCGGDKVOCYNGSH-UHFFFAOYSA-N 300.362 1.790 0 40 DDAB COC(CN1CCN(c2nccc(C(F)(F)F)n2)CC1)OC 195572048 JBIHTTPTJCPLHV-UHFFFAOYSA-N 320.315 1.236 0 40 DDAB CN1CCC2(CCCN2C(=O)N[C@H](CCN)C(F)(F)F)CC1 331683340 ROIJPUOJVHQCFW-LLVKDONJSA-N 322.375 1.536 0 40 DDAB COC[C@@H]1CN(C(=O)NCCc2c(F)cccc2F)CCO1 96439125 RSYIOBLHTWYEPW-NSHDSACASA-N 314.332 1.564 0 40 DDAB CN(C)C[C@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1 96066884 VTBQXFJMRKNEIH-GFCCVEGCSA-N 304.419 1.778 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)no1 97953365 VBRGEBKLSLVKTR-IUODEOHRSA-N 318.333 1.247 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 96409354 MVXJRKFFFVTDAP-HOCLYGCPSA-N 322.380 1.635 0 40 DDAB CN(C)C(=O)CN1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 96215313 HROQYYJYLPJDIN-SFHVURJKSA-N 316.449 1.458 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 96058029 DWSXWCATWQFFGI-RRFJBIMHSA-N 305.378 1.512 0 40 DDAB C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CO)C1 95463415 SNRJGZFKEQGKSA-WBVHZDCISA-N 319.449 1.921 0 40 DDAB O=C(NCCc1ccsc1)NCC1CCS(=O)(=O)CC1 96484946 UHNVROFLFUBSIV-UHFFFAOYSA-N 316.448 1.415 0 40 DDAB CN(C)C(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238222 XEIWEJHGZJUUHZ-HNNXBMFYSA-N 322.434 1.153 0 40 DDAB Cc1cnc(C)c(N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 97377484 BHBYTAKOWZOLJM-UHFFFAOYSA-N 314.393 1.226 0 40 DDAB CC(C)C(=O)NC[C@H]1CCC2(CN(Cc3nccs3)C2)OC1 248163314 MZKFBCWJJKVZQZ-CYBMUJFWSA-N 323.462 1.896 0 40 DDAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2CC(N)=O)s1 257263458 LPZPWXBRYUUCOA-JTQLQIEISA-N 318.406 1.607 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccc(C)cc1 257237268 HFURLTBTCOMXJK-SFHVURJKSA-N 324.384 1.663 0 40 DDAB Cc1c(CCC(=O)N2CCNC[C@@H]2c2ccccc2)cnn1C 257308831 TYHMKAXNIUUNOK-QGZVFWFLSA-N 312.417 1.834 0 40 DDAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(C)CC1 253408386 XTKHUVPJYIYHKY-NSHDSACASA-N 316.361 1.178 0 40 DDAB biogenic,in-vitro CN1CCN(Cc2cc3ccccc3s2)C[C@H](C(N)=O)C1 257252159 JTTIPMRHNKIQTQ-CYBMUJFWSA-N 303.431 1.750 0 40 DDAB CCCS(=O)(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257207785 BJFVOTZMOFUSCU-MGPQQGTHSA-N 314.407 1.024 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2ccsc2)n1 257201106 AGHZALKARMBVOO-LBPRGKRZSA-N 305.359 1.766 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 257333949 YDVDDNBOSVROGS-DZGCQCFKSA-N 306.410 1.259 0 40 DDAB CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)c2cnn(C(C)(C)C)c2)C1 263098267 QXGLDOUPEMWIOH-VXGBXAGGSA-N 309.366 1.342 0 40 DDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCC[C@@H]2CCc3ccccc3N2)O1 623073705 NPPAMQMDUCUMPT-CFVMTHIKSA-N 318.373 1.552 0 40 DDAB CC(C)(C)n1nnc(CNCC2(O)Cc3ccccc3C2)n1 657369898 IOWQWPAKFOMRBJ-UHFFFAOYSA-N 301.394 1.048 0 40 DDAB CN(C(=O)CCc1cccc(Cl)c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280755 OOHGNXYZBUUBRC-NFAWXSAZSA-N 324.808 1.356 0 40 DDAB O=C(N1CC[C@H]2[C@H]1CCN2CC1CCOCC1)C1(F)CCC1 585108123 RAKGMJUAZGOGRN-LSDHHAIUSA-N 310.413 1.980 0 40 DDAB Cc1cc(N(CC(=O)OC(C)(C)C)CC2CC2)n2ncnc2n1 585140506 GCSHQZDQXMVYOW-UHFFFAOYSA-N 317.393 1.991 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)NC1CC1)CN(Cc1cccs1)C2 585110927 ZUPRZRROAAQNJD-ZDUSSCGKSA-N 316.430 1.860 0 40 DDAB COc1ccc(F)cc1CC(=O)N1CCO[C@@H](C(=O)C2CC2)C1 581059554 HDVFYPLRSNAJAA-OAHLLOKOSA-N 321.348 1.583 0 40 DDAB Cc1ccc(OC[C@]2(O)CCN(CC3(O)CCOCC3)C2)cc1 585278633 UTISUHXKOOPRES-SFHVURJKSA-N 321.417 1.352 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1 672163366 OVWDKSFZGLDSPP-VIFPVBQESA-N 324.233 1.906 0 40 DDAB O=C(CC1CCCC1)N1CCCN(CCN2CCOC2=O)CC1 69816858 WKCHSXZILMAQNN-UHFFFAOYSA-N 323.437 1.553 0 40 DDAB O=C(O)C1(C(=O)NS(=O)(=O)c2cc3ccccc3o2)CCC1 863964545 LRMJKFOZWXRGDN-UHFFFAOYSA-N 323.326 1.493 0 40 DDAB O=C(Nc1nccs1)[C@@H](Cc1ccccc1)n1cnnn1 44872188 UELLLAQEZNPOKG-LLVKDONJSA-N 300.347 1.552 0 40 DDAB Cc1nnc2ccc(N3CCCN(C(=O)CC4CC4)CC3)nn12 1776001617 BUZCELAVXKYQRA-UHFFFAOYSA-N 314.393 1.272 0 40 DDAB C[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(N)=O 56586946 TZRKKBRYSRNJKL-ZCFIWIBFSA-N 315.251 1.670 0 40 DDAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccn1 57475964 YPTJAQSOQOMTPN-UHFFFAOYSA-N 304.375 1.623 0 40 DDAB CN(C(=O)CN1CCCS1(=O)=O)[C@@H]1CCc2ccccc21 83855741 UZIJDAHBEZXEQG-CQSZACIVSA-N 308.403 1.168 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)NCc2nc(C)c(C)s2)C1 80589301 JEDXPWIRLYNGSW-LLVKDONJSA-N 310.423 1.428 0 40 DDAB CC1(CCNC(=O)c2ccncc2C(F)(F)F)OCCO1 193133243 ZLSZFNJURCPQFV-UHFFFAOYSA-N 304.268 1.983 0 40 DDAB CCCCNC(=O)[C@@H](C)n1nc(-c2ccc(C)o2)cc(N)c1=O 12182950 QOTQSCXBEACVHY-LLVKDONJSA-N 318.377 1.871 0 40 DDAB NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1 12354826 PWGAHYYSCYXLLY-LCYFTJDESA-N 315.354 1.739 0 40 DDAB Cc1cc(-c2cc(=O)n([C@H](C)C(N)=O)nc2-c2ccco2)on1 13226151 AZJUNENAIXKDJN-SECBINFHSA-N 314.301 1.513 0 40 DDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)Nc1ccon1)CS2 14035257 REFOAITTWJSGQE-VIFPVBQESA-N 306.347 1.524 0 40 DDAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCOCC2)n1 11443420 ADZMXNKIFLFKEH-SNVBAGLBSA-N 311.407 1.062 0 40 DDAB CC(C)n1ncc([C@](O)(c2nccn2C)C(F)(F)F)c1N 9646711 MYWVYNCSNZHVRB-NSHDSACASA-N 303.288 1.578 0 40 DDAB Cc1nnc(N2CC(NC(=O)c3c(F)cccc3F)C2)s1 1888853123 VMKCFWUXDOOZNI-UHFFFAOYSA-N 310.329 1.743 0 40 DDAB COc1ccc(OCCC(=O)O[C@H](C)C(=O)NC2CC2)cc1 14186300 YQKXGFVMUYMVRX-LLVKDONJSA-N 307.346 1.674 0 40 DDAB CN(C)C(=O)Cn1cnc2ccc(Br)cc2c1=O 7392257 TUYOEXPMDIGPAK-UHFFFAOYSA-N 310.151 1.247 0 40 DDAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccno1 240067812 SCRYRCCGTPOFTC-LBPRGKRZSA-N 307.375 1.788 0 40 DDAB Cn1nc([C@H]2CCCCN2C(=O)CN2CCCCC2)cc1O 2037843790 JOYXOMLSGXJGAM-CQSZACIVSA-N 306.410 1.665 0 40 DDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)CC3CC3)[C@@H]2CN1 2037983739 DLJJCJGAWFPEHK-IIDMSEBBSA-N 314.385 1.296 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@]21C(=O)NC1CCC1 2056225420 VMDMXJBQBPYTSI-MEDUHNTESA-N 303.337 1.494 0 40 DDAB Cn1cc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)cn1 225659018 JRLVSDDSMZEMIO-UHFFFAOYSA-N 318.358 1.554 0 40 DDAB O=c1cc(N2CCCCC2)[nH]c(=O)n1Cc1ccc(F)cc1 4033619 LEFZVIZMRDXSHQ-UHFFFAOYSA-N 303.337 1.714 0 40 DDAB Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2Cl)c(N)n1 49410994 NLDILLWZQJUMHV-UHFFFAOYSA-N 324.743 1.243 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 50246626 LBSYTVUKAQLTDD-SECBINFHSA-N 319.224 1.418 0 40 DDAB C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)[C@H](C)CO1 40501210 WUQGUWDAMIDQIH-GHMZBOCLSA-N 307.325 1.709 0 40 DDAB CCc1ccccc1NC(=O)COC(=O)c1ccc(=O)n(C)n1 32936185 DOYCYZFSLCDYBD-UHFFFAOYSA-N 315.329 1.138 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)COCc1cccc(OC)c1 32930924 XIRJXZGYZRYUPE-UHFFFAOYSA-N 322.405 1.585 0 40 DDAB COC(=O)c1c(C(F)(F)F)cnc(N2CCNCC2)c1Cl 32911405 TUYRDRBMLUUBHE-UHFFFAOYSA-N 323.702 1.950 0 40 DDAB O=C(c1cnc[nH]1)N1CCN(c2ncnc3ccsc23)CC1 72295755 YDZALRLRGGCVOK-UHFFFAOYSA-N 314.374 1.377 0 40 DDAB Cc1c(Br)c(C(=O)N[C@@H](C)[C@H]2CCCO2)nn1C 2777534 MJLJDINTWNGMNN-IONNQARKSA-N 316.199 1.788 0 40 DDAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CCS(C)(=O)=O)c1 72287607 WSXOWMXRUWZAAH-HNNXBMFYSA-N 324.446 1.851 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCOC1)c1ccc2c(c1)CCC(=O)N2 46986845 KWVAPQNACKLMSV-NWDGAFQWSA-N 317.389 1.968 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cscn3)CCO2)n1 78889663 BOEIVIBUMSDZGN-JTQLQIEISA-N 307.379 1.598 0 40 DDAB CC(C)NC(=O)CN(C)Cc1ccc(OCC(F)(F)F)nc1 79109619 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CN(C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCOC1=O 106907845 GNIRIKDVAVXBIL-STQMWFEESA-N 310.419 1.369 0 40 DDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101639809 CBLNBEGODMNXCP-KNWICRRVSA-N 303.362 1.429 0 40 DDAB CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 27038358 MHEJJZMCEGBFSX-NEPJUHHUSA-N 319.405 1.925 0 40 DDAB COC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)cc1 57993737 VNXPVDCTEACLGH-GFCCVEGCSA-N 321.377 1.315 0 40 DDAB O=c1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)occ1O 44690243 JRPKRGPSXFEOOO-NEPJUHHUSA-N 314.341 1.126 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc[nH]c1=O 27335723 KHYBZBWNDIFTBN-ZDUSSCGKSA-N 301.346 1.535 0 40 DDAB O=C1CCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 44709370 HEPXFCPIBMRRBZ-CQSZACIVSA-N 306.337 1.348 0 40 DDAB CC(C)C(=O)Nc1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1 58173466 LTAQXNYNHBHCOG-UHFFFAOYSA-N 322.390 1.483 0 40 DDAB Cn1ccnc1[C@H](NC(=O)Cn1ccccc1=O)c1ccccc1 48235280 HULHNRRMXFUBOF-QGZVFWFLSA-N 322.368 1.488 0 40 DDAB NC(=O)CN(Cc1cccc2c1OCCCO2)C[C@@H]1CCCO1 48276976 MSWPBIVZSDEFRX-AWEZNQCLSA-N 320.389 1.314 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2cc(C)on2)c1 44917488 OONSMLYDPUOGBV-UHFFFAOYSA-N 324.362 1.213 0 40 DDAB COc1ccc([C@H](C)NC(=O)c2ccc(O)nn2)c(OC)c1 44908978 SWCKTLQMSCGDAS-VIFPVBQESA-N 303.318 1.690 0 40 DDAB COCCNC(=O)N[C@@H](c1ccccc1OC)c1nccn1C 44945412 JJJDHKGNTXIVTG-AWEZNQCLSA-N 318.377 1.464 0 40 DDAB O=c1[nH]c(CN(CCO)C2CC2)nc2sc3c(c12)CCC3 58357559 TYXLAWUKJTUAMG-UHFFFAOYSA-N 305.403 1.430 0 40 DDAB COc1ccc(CSCC(=O)N2CCN(C=O)CC2)cc1 10282824 OFSUYZWGBNZLLQ-UHFFFAOYSA-N 308.403 1.229 0 40 DDAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)CCC2 12851688 HIOWLINTVHQOPV-HNNXBMFYSA-N 301.390 1.454 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1C1CCN(c2ccccn2)CC1 46565047 SISRUFWBZCXHEU-UHFFFAOYSA-N 322.368 1.926 0 40 DDAB NC(=O)COc1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl 12998408 WUXLAMCPZPTBKA-MRVPVSSYSA-N 318.156 1.901 0 40 DDAB COC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 12971393 CAYBYXWSFXUFOD-GFCCVEGCSA-N 322.380 1.829 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)no1 72232152 MDLPGIVTULPKOV-NWDGAFQWSA-N 318.381 1.752 0 40 DDAB Cc1nnnn1-c1ccccc1C(=O)NCCc1ccccc1 71284308 BMOVBUCGKJUSBL-UHFFFAOYSA-N 307.357 1.943 0 40 DDAB C[C@@H]1CN(c2cc(N3CCCCC3)ncn2)CCS1(=O)=O 97142334 YGERISZQBRYFFC-GFCCVEGCSA-N 310.423 1.090 0 40 DDAB CCCN1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 63703162 FDNLCHPLUUITNI-UHFFFAOYSA-N 319.405 1.467 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O 408589247 DKSYBLNPFDQYPB-DHZHZOJOSA-N 319.317 1.247 0 40 DDAB CC1CCN(C(=O)COC(=O)c2ccccc2NCCO)CC1 5279447 KQFBQWVDLDPINC-UHFFFAOYSA-N 320.389 1.506 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 14093873 PJLVYWQEMRSACA-AWEZNQCLSA-N 309.753 1.999 0 40 DDAB O=C1CN(Cc2cc(Br)c3c(c2)OCO3)CCN1 65532882 DEKPHLHIYWQFLN-UHFFFAOYSA-N 313.151 1.110 0 40 DDAB Cn1ncc2c(N3CCN(CCc4ccccc4)CC3)ncnc21 14167359 HBCIUTKURRBTSA-UHFFFAOYSA-N 322.416 1.728 0 40 DDAB Cc1ccccc1C[C@H](CNC(=O)c1cnn(C)c1)C(=O)O 97228532 LPOSLGYXJWMOKE-CYBMUJFWSA-N 301.346 1.402 0 40 DDAB Cc1cc(C)n2cc(CSc3nc(N)cc(=O)[nH]3)nc2n1 9335363 FYBYYWHQJOAUTF-UHFFFAOYSA-N 302.363 1.304 0 40 DDAB CCS(=O)(=O)NCCCN1CCC[C@H]1c1c(C)n[nH]c1C 91080855 HARDFNZKMPBOHV-ZDUSSCGKSA-N 314.455 1.493 0 40 DDAB CN1CCO[C@H](CNC(=O)Cc2ccc3c(c2)CCCC3)C1 69326764 SBXSTMLBSSXIEK-QGZVFWFLSA-N 302.418 1.555 0 40 DDAB CC(C)(CNc1nc2ccccc2c(=O)[nH]1)N1CCOCC1 97994941 PVBBXUPCOFMLJA-UHFFFAOYSA-N 302.378 1.446 0 40 DDAB CCc1ncc2c(n1)CN(CC(=O)Nc1nnc(C)s1)CC2 71880395 NBJUTRANVQYOCH-UHFFFAOYSA-N 318.406 1.196 0 40 DDAB CC(C)CCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 17172661 JUXJKGSOCHSBHC-UHFFFAOYSA-N 305.403 1.998 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)NC(N)=O)ccc1N1CCSCC1 71851696 VISYODHFBRGEBV-LLVKDONJSA-N 322.434 1.544 0 40 DDAB O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn[nH]1 71896674 KVFKPECSAZNCDN-JTQLQIEISA-N 321.331 1.477 0 40 DDAB C[C@H](OC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(N)=O 69628930 DHABUMHJNIKZKT-KGLIPLIRSA-N 318.417 1.747 0 40 DDAB Cc1noc([C@H](C)N2CCN(CCOCC(F)(F)F)CC2)n1 69627762 XDLJMMVGGLEEQK-JTQLQIEISA-N 322.331 1.636 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 17920360 UNESZBYQWKBXNK-OKILXGFUSA-N 321.373 1.553 0 40 DDAB COc1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(OC)c1 71867448 JBJAMXRUMRWZFJ-CYBMUJFWSA-N 321.421 1.070 0 40 DDAB CC1CCN(C[C@H](O)CN2CCn3c(nnc3C3CC3)C2)CC1 71880772 BLRCDINESXNSHW-HNNXBMFYSA-N 319.453 1.064 0 40 DDAB COC[C@@H](CCO)NC(=O)Cn1ccc2ccc(Cl)cc21 83897890 TVXSFUYMMSBQLP-CYBMUJFWSA-N 310.781 1.808 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)NC[C@H](C)N1CCOCC1 87035885 MSTVGGMVMHWTRV-AWEZNQCLSA-N 323.412 1.697 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@H](C)CO)C2)cc1 84148620 YFTYAOLZRISNGR-GOEBONIOSA-N 318.417 1.592 0 40 DDAB NC(=O)c1cc(Cl)nnc1NCCc1nccn1C(F)F 95406088 CLRNTBYWRZOXME-UHFFFAOYSA-N 316.699 1.475 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 97051652 LPYJBXZMBHDSHL-JTQLQIEISA-N 322.352 1.618 0 40 DDAB Cc1cc([C@H](C)NC(=O)CCS(=O)(=O)N(C)C)c(C)o1 97032175 IJJSQXZPCCUFRI-JTQLQIEISA-N 302.396 1.355 0 40 DDAB COCCc1noc(=O)n1Cc1ccc(Br)s1 97086425 ULBJIGUHAWWMRK-UHFFFAOYSA-N 319.180 1.898 0 40 DDAB CCc1csc([C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 72282278 RSTDWSHTMZYSRY-LLVKDONJSA-N 305.407 1.703 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N(C)Cc1ccc(Cl)cc1 95959746 FHZLOWIMWJVGBQ-CQSZACIVSA-N 324.808 1.936 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)N[C@]1(C)CCOC1 95975359 ITECNKMKLMCBSQ-MRXNPFEDSA-N 307.394 1.415 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)on1 95954229 QHYIWAWLYSZTRZ-VXGBXAGGSA-N 306.366 1.437 0 40 DDAB CNC(=O)c1ccc(N2CCC[C@H](Nc3ccccc3)C2)nn1 89391908 GMGDHMQHQIEPCB-AWEZNQCLSA-N 311.389 1.917 0 40 DDAB COc1cccc(/C=C/C(=O)N2CCN(C)C[C@@H]2C)c1OC 89937748 USBUQJRYFSBBHD-XEHSLEBBSA-N 304.390 1.880 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(C[C@H](O)c3ccccc3)C2)no1 76047328 BXVHBXORIQUQCB-CVEARBPZSA-N 316.405 1.618 0 40 DDAB CCCOC(=O)CNC1([C@@H](C)NC(=O)OC(C)(C)C)COC1 306145978 XVFSQRNGGHMJKJ-LLVKDONJSA-N 316.398 1.211 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(CN)CN 218374991 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316.409 1.592 0 40 DDAB CN1CCO[C@@H](CNC(=O)CCCOCCc2ccccc2)C1 65609054 FXYUSNHJJKXRET-KRWDZBQOSA-N 320.433 1.473 0 40 DDAB COc1ccccc1NC(=O)COc1ccccc1C(N)=O 6785180 NBFPPENAJSTDKE-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@H](CCO)C1 95443515 DNWUSRFTHQXEAA-LLVKDONJSA-N 314.332 1.960 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 95442364 MCSQMRDUTWSGSL-QWHCGFSZSA-N 324.427 1.697 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cn1 95455461 HZCSCGWKSWHWAE-UHFFFAOYSA-N 320.370 1.689 0 40 DDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCC[C@H](O)C1 67477613 LHFQPQSDXPPKTK-HOTGVXAUSA-N 316.401 1.203 0 40 DDAB COc1ccccc1OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15544371 HEDAGDUAIIBMSW-UHFFFAOYSA-N 313.313 1.882 0 40 DDAB CN1C(=O)C[C@H](NC(=O)c2cscn2)[C@@H]1c1ccc(F)cc1 96485025 DAMPKUISBODYSZ-FZMZJTMJSA-N 319.361 1.984 0 40 DDAB CCCS(=O)(=O)CC(=O)NCC1(c2cccc(F)c2)CC1 96416685 BNPRRNFEZDLKRN-UHFFFAOYSA-N 313.394 1.798 0 40 DDAB COC(=O)c1ccccc1NC(=O)N(C)CCc1cnccn1 95457609 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1.434 0 40 DDAB CC(C)COc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 556979039 UNPKGKSKHYNQDL-HOTGVXAUSA-N 306.406 1.468 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(N(C)C)c(F)c2)C[C@@H](C)N1CCO 517517114 SNFNXFJNLZMBPI-BETUJISGSA-N 323.412 1.419 0 40 DDAB Cc1cc2cc3c(cc2n2c(=O)n(CCN(C)C)nc12)OCO3 72346991 LFKKYXFSTCVXQT-UHFFFAOYSA-N 314.345 1.248 0 40 DDAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)c1 217462583 WDXKXEGGFYAZRU-FOCJUVANSA-N 301.298 1.066 0 40 DDAB COCc1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)C(C)C)CC2 187300760 KJOUMPWHHRHKDI-GFCCVEGCSA-N 323.441 1.721 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](C(N)=S)[C@@H]1c1ccc2c(c1)OCO2 218151428 XGPBHCZJTVKDJQ-SDDRHHMPSA-N 313.400 1.218 0 40 DDAB CCOC(=O)c1nn(C)c2c1CN(Cc1ccc(O)cc1)CC2 14537074 BBOFVGMKCQHPLY-UHFFFAOYSA-N 315.373 1.861 0 40 DDAB NC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCOCC1 226279408 VNDDICIYNPOXLW-UHFFFAOYSA-N 317.267 1.123 0 40 DDAB Cc1cccn(CC(=O)NCc2ccc(C(=O)O)cc2)c1=O 49753387 UUKPKSIVBQKXAC-UHFFFAOYSA-N 300.314 1.171 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)CN(C)C 49946336 KDUZVSLPTWKVPH-AWEZNQCLSA-N 323.437 1.738 0 40 DDAB CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 222966744 VSVSUUQLDBRQMO-UHFFFAOYSA-N 306.413 1.211 0 40 DDAB CC(C)CNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225463540 GIYOQGQDXQTMRM-UHFFFAOYSA-N 306.413 1.067 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1cnn(C)c1 96061717 PZABQNUFHPJXHN-CVEARBPZSA-N 313.405 1.203 0 40 DDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)cn1 96184610 GTBJECUXLHJZPG-LSDHHAIUSA-N 316.430 1.971 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cnoc2C)Cc2cn(C)nc21 96068290 WHIZTIWIIZGEOF-LBPRGKRZSA-N 304.350 1.493 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC3CC3)O[C@H]2C1 96100072 ZSIKIMDNGMTPLI-MAZHCROVSA-N 319.405 1.549 0 40 DDAB CN(C)C(=O)N[C@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 96186846 RNNLESCASZBHRI-RRFJBIMHSA-N 304.394 1.085 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)nsc1NC 96495127 XEFYRDXBEIWHRK-VIFPVBQESA-N 320.422 1.912 0 40 DDAB CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cncn3C)C2)C1 96076247 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DDAB CCOC(=O)CN1CC(C)(C)N(CC(=O)OCC)CC1(C)C 19366359 INVBTEGFIXJXDO-UHFFFAOYSA-N 314.426 1.287 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458306 PZQPWESTEOJOSP-CHWSQXEVSA-N 316.405 1.904 0 40 DDAB Cc1cccc(NC(=O)C[C@H](C(=O)O)N2CCOCC2)c1C 4264023 CQMXFRYXHMWIGK-CQSZACIVSA-N 306.362 1.417 0 40 DDAB CCCN(C(=O)c1ccccc1OCC)[C@@H]1COC[C@@H](O)[C@H]1O 643585682 YUAKOZSVLATLGN-FMKPAKJESA-N 323.389 1.058 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)[C@@H]1C 15661684 MGUHAHRBBJKOBI-YRGRVCCFSA-N 314.389 1.732 0 40 DDAB CC(=O)N1CCCN([C@@H](C)C(=O)Nc2ccccc2C)CC1 15519939 LWEGAIUMBINFQO-AWEZNQCLSA-N 303.406 1.876 0 40 DDAB Cn1ccnc1CN1CCC[C@](O)(COc2ccc(F)cc2)C1 2037905568 HLUHTRZQCJVVEQ-QGZVFWFLSA-N 319.380 1.965 0 40 DDAB CN1CCCCC12CCN(C(=O)Cn1ccccc1=O)CC2 1565543044 KGVCMALKDYAEDJ-UHFFFAOYSA-N 303.406 1.325 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1F 9571006 JLWFJCQJKDNOCK-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB O=C(NCC1CC1)c1noc2c1C[C@@H](NC(=O)C1CC1)CC2 2055739021 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COCC(=O)NC[C@H]1Cn2cc(-c3ccc(C)cc3)nc2CO1 96269239 VNPLWRMQZLPGCF-AWEZNQCLSA-N 315.373 1.520 0 40 DDAB biogenic,in-vitro C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccco1 9456612 QPBWCKNNGZZSEF-SECBINFHSA-N 303.343 1.928 0 40 DDAB CCN(C(=O)CN1CCO[C@@H](CN(C)C)C1)C1=CCCCC1 70021782 LLXOPLJPORLXRW-INIZCTEOSA-N 309.454 1.555 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H](c3cc(C)[nH]n3)C2)on1 84111051 BFANBNZJDZPIIN-GFCCVEGCSA-N 303.366 1.833 0 40 DDAB Cc1c([C@@H](C)NC(=O)[C@@H](C)NC(N)=O)cnn1-c1ccccc1 69563617 HNCULSQVTJNQPD-GHMZBOCLSA-N 315.377 1.415 0 40 DDAB Cn1cc([C@@H]2CCCN2C[C@H](O)COc2ccccc2)cn1 71797251 BLBGYMHPSFCDNV-RDJZCZTQSA-N 301.390 1.997 0 40 DDAB N[C@H]1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)C1 97019605 WFLUZRWMTRQLTL-HNNXBMFYSA-N 321.384 1.653 0 40 DDAB CCCCn1nnnc1CN[C@H]1CCc2nc(C(C)C)nn2C1 71871792 RVWCOTCEUNEJBQ-LBPRGKRZSA-N 318.429 1.293 0 40 DDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCOc1cccc(F)c1 71908257 CDTDHGDWODOIHG-XJKSGUPXSA-N 324.396 1.820 0 40 DDAB C[C@@H]1CCC[C@H](OCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 71902864 NJFQIQJNNHOGST-KBMXLJTQSA-N 318.417 1.795 0 40 DDAB Cc1nc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2C)cn1C 72300208 QLMTZDGYNGMWLF-CYBMUJFWSA-N 323.422 1.087 0 40 DDAB O=c1cnc2cc(F)c(F)cc2n1CCOC[C@@H]1CCCO1 72302565 YBINBNQKANUORW-JTQLQIEISA-N 310.300 1.870 0 40 DDAB CC(C)N(C)C(=O)[C@@H](C)N1CCN(CC2CCOCC2)CC1 97212779 KRKMOBNVWBEGFH-OAHLLOKOSA-N 311.470 1.286 0 40 DDAB Cc1ccc(CCC(=O)N(C)[C@H]2CCC[C@H]2S(C)(=O)=O)o1 85295398 MRDLCTHWDRIHRR-UONOGXRCSA-N 313.419 1.945 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)c1ccnc(OC2CCCCC2)c1 89341867 MWFWKWMSXCNRHU-KRWDZBQOSA-N 320.389 1.674 0 40 DDAB O=C(CN1CCC[C@@H]1CN1CCC[C@@H]1CO)Nc1ccccc1 75094060 PBLFCFWGCZXDNN-IAGOWNOFSA-N 317.433 1.546 0 40 DDAB Cn1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)c1 75092512 DJAPYWAGEBDROV-UHFFFAOYSA-N 301.346 1.796 0 40 DDAB Cc1cccn2cc(CN3CCc4nn(C)c(=O)cc4C3)nc12 76064702 ADDYURGHEJRWDG-UHFFFAOYSA-N 309.373 1.295 0 40 DDAB CN(C(=O)NC[C@@H]1CCCO1)[C@H]1CCN(c2ccccc2)C1=O 76065798 RXNCKFCYIFNEJR-GJZGRUSLSA-N 317.389 1.612 0 40 DDAB COc1ccc(-c2cnc3c(N4CCNCC4)nccn23)cc1 306123813 AXQXIOGJGMSMKQ-UHFFFAOYSA-N 309.373 1.815 0 40 DDAB CCCc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)[nH]n1 24894750 UOSJWOLJZXUQHE-UHFFFAOYSA-N 322.390 1.986 0 40 DDAB CCn1ncc(CNC(=O)NC[C@H]2CCCn3cc(C)nc32)n1 527826010 DHDHXRQVQLOAGQ-GFCCVEGCSA-N 317.397 1.180 0 40 DDAB Cc1ccc(CCNc2cc(N3CCC[C@H]3CO)ncn2)o1 78766395 FUBCZOVEHWOIKA-ZDUSSCGKSA-N 302.378 1.994 0 40 DDAB COCCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171470 KQQMLHGDQOTZIQ-UHFFFAOYSA-N 304.390 1.692 0 40 DDAB CN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1 79412310 KSXCIYMFVWEWGL-UHFFFAOYSA-N 305.378 1.205 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)Nc1cc(F)c(F)c(F)c1 73935434 FTXWUQABPRJLIY-UHFFFAOYSA-N 324.324 1.714 0 40 DDAB CS(=O)(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1 74454385 DNLCXVFOBPWYRO-UHFFFAOYSA-N 308.363 1.271 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(OC)cc1 218073233 QWCVETLFDNNJIP-SOUVJXGZSA-N 313.419 1.187 0 40 DDAB Cc1nnccc1C(=O)N1CCN(c2ccccc2F)CC1 72239340 USOMKHZABSYSDC-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB C[C@H](N)C(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79393042 VUEOHMJRRSBACT-ZFWWWQNUSA-N 319.405 1.641 0 40 DDAB Cc1nc([C@H]2CNCCO2)cc(N(C)CCn2ccnc2C)n1 72387090 CBYLGYMTUFTZBK-OAHLLOKOSA-N 316.409 1.087 0 40 DDAB C[C@@H](NC(=O)c1cnn(C)c1)c1noc(Cc2ccccc2)n1 79621771 XJCINZLFVXRAEY-LLVKDONJSA-N 311.345 1.885 0 40 DDAB O=C(Cn1cncn1)N1CC(OCc2cccc3ccccc23)C1 80941717 GSVQVZLIPAAUDF-UHFFFAOYSA-N 322.368 1.859 0 40 DDAB Cc1ccc(N(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 222558952 FHFXZLWKJHLOIJ-AWEZNQCLSA-N 324.446 1.938 0 40 DDAB CN(C[C@@H]1Cc2ccccc2CO1)S(=O)(=O)c1cn(C)cn1 225791015 WOWGTEXADGDZMG-AWEZNQCLSA-N 321.402 1.182 0 40 DDAB Cc1cn(-c2ccccc2)nc1OCC(=O)NC[C@@H]1CCCO1 226852379 QJPMDNKRWVWWFI-HNNXBMFYSA-N 315.373 1.855 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCCN12 85398541 ASTMRLPYJIVQKR-JHJVBQTASA-N 323.389 1.315 0 40 DDAB CC[C@@H](NC(=O)N[C@@H](C)CN1CCCC1=O)c1ccncc1 96440508 NHOMQPRFCNPUJI-GXTWGEPZSA-N 304.394 1.843 0 40 DDAB O=C(NCCOc1cccc(F)c1)NCC[C@H](O)C(F)(F)F 96413283 RJBYDAWDTJYFHW-NSHDSACASA-N 324.274 1.817 0 40 DDAB Cc1cc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)on1 97228149 OUOOAIGFTSSDLO-HNNXBMFYSA-N 301.346 1.784 0 40 DDAB COC[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)C1CC1 96485918 DVHPCSIARBRJMJ-PWSUYJOCSA-N 323.359 1.689 0 40 DDAB Cn1cc([C@@H](O)CNCc2ccc(OC(F)F)c(F)c2)cn1 95437391 ZKNLDJSVFCSMNT-LBPRGKRZSA-N 315.295 1.984 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4CC4)C[C@@H]3C2=O)cs1 96245118 DEQWVXJMXIBMRK-YPMHNXCESA-N 305.403 1.278 0 40 DDAB CN(C)C(=O)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96040940 HAJDUWBBTVFXNS-ILXRZTDVSA-N 305.378 1.512 0 40 DDAB C[C@H](CSC(C)(C)C)NC[C@H]1CCCN1S(C)(=O)=O 90798788 XTPLFXBCZYKLAU-VXGBXAGGSA-N 308.513 1.920 0 40 DDAB CC(C)NC(=O)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188406 MBZYVYCKRDOVAB-AWEZNQCLSA-N 305.426 1.529 0 40 DDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN([C@H]1CCOC1)CC2 96069804 PCUQNZOMERBBOM-JKSUJKDBSA-N 315.417 1.651 0 40 DDAB CN(C)C(=O)c1nc2c(s1)CCN(C[C@@H]1CCOC1)CC2 96187579 ILYXVQCZOWVXAF-NSHDSACASA-N 309.435 1.282 0 40 DDAB COCC[C@H]1CO[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96222139 UWNKTXHERQMJBL-CJNGLKHVSA-N 305.378 1.524 0 40 DDAB CC(=O)N1Cc2cncn2C[C@@H](COCc2ccccn2)C1 96207718 YAHIAOLTVFTPJR-AWEZNQCLSA-N 300.362 1.473 0 40 DDAB Cn1cc(N2CC[C@H]3CN(Cc4cccs4)C[C@@H]3C2=O)cn1 96249154 AKJITYWVTHTBGY-WFASDCNBSA-N 316.430 1.967 0 40 DDAB CC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 242898050 GPVXKXOEAUAVDF-SECBINFHSA-N 304.799 1.533 0 40 DDAB COCC(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247867677 YLDGLVZKKDSMQE-ZDUSSCGKSA-N 308.403 1.331 0 40 DDAB COCC(=O)N1CCCC[C@H]1c1cc(O)n2nc(C)cc2n1 257250433 JMMVWQFZKUHOCW-LBPRGKRZSA-N 304.350 1.443 0 40 DDAB Cc1ncccc1C(=O)N1CCO[C@@H](CCc2ccncn2)C1 257236384 HBYHYIAIEHKFKX-HNNXBMFYSA-N 312.373 1.654 0 40 DDAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ccn1 257301937 SAQPLQKULUFREE-LBPRGKRZSA-N 321.406 1.383 0 40 DDAB Cc1cc(O)nc([C@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257216669 CVPRPOCWPPZDCD-CQSZACIVSA-N 317.393 1.842 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1cnc(C)[nH]1)[C@@H]2C 585098237 SLUDLHYCCZIRHV-LLVKDONJSA-N 317.393 1.711 0 40 DDAB Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/CN(C)C)C[C@@H]1O 585289066 FGBCALYWGSWRKY-LJFWHQRKSA-N 316.445 1.865 0 40 DDAB O[C@]1(COc2ccc(F)cc2)CCCN(Cc2ncc[nH]2)C1 585275133 XWXJZTWTFDFZCD-MRXNPFEDSA-N 305.353 1.955 0 40 DDAB CCCCOc1ncccc1CNC(=O)[C@]1(C)CCNC1=O 585140795 KZCINMUJMMJBIZ-MRXNPFEDSA-N 305.378 1.403 0 40 DDAB C[C@]1(c2cccnc2)NC(=O)N(CCO[C@@H]2CC2(F)F)C1=O 585097885 AXIFNIARABRLSO-ZWNOBZJWSA-N 311.288 1.273 0 40 DDAB CN1CC[C@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O 585093227 JXYCLKGTGQGPOY-AWEZNQCLSA-N 309.316 1.411 0 40 DDAB CC1(C)Cc2cccc(OCCNC(=O)N3CCOCC3)c2O1 27351673 SZVCCQIMUGCWAI-UHFFFAOYSA-N 320.389 1.821 0 40 DDAB C[C@H](CNC(=O)NCc1ccccc1F)CN1CCCC1=O 65522728 RPABWANTATTYJF-GFCCVEGCSA-N 307.369 1.883 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)on1 69771668 HRGUMUWWYQZUCR-LLVKDONJSA-N 320.324 1.588 0 40 DDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCC1CCC1 48181847 VBCWJOVZGQZHEI-UHFFFAOYSA-N 307.394 1.548 0 40 DDAB C[C@@H]([C@@H](C)NCCNS(=O)(=O)c1ccccc1)n1cccn1 75133871 ZNZWSJISHSHRHS-KGLIPLIRSA-N 322.434 1.401 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC)n2)no1 76044075 UNBBLHZDYVIFTF-LLVKDONJSA-N 317.349 1.186 0 40 DDAB Cc1nnc([C@H](C)N2CCO[C@H](CNc3cccnn3)C2)o1 78894010 UOEKOKYTQQCWBS-CMPLNLGQSA-N 304.354 1.042 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc3ncsc3c2)CC1 85436802 AZNJGRBLQIWIRR-LLVKDONJSA-N 305.403 1.435 0 40 DDAB CC(C)(C)NC(=O)CN1CCC(CNCc2ccncc2)CC1 80373772 MXILLZSWWJVMBE-UHFFFAOYSA-N 318.465 1.798 0 40 DDAB CC[C@@H](NC[C@@H](O)Cn1cc(C=O)c2ccccc21)C(=O)O 5521157 XMDUUIUMKBBMIH-TZMCWYRMSA-N 304.346 1.268 0 40 DDAB O=C(C1CC1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1 19402520 NESFXRUOXHGCFY-LBPRGKRZSA-N 310.357 1.558 0 40 DDAB CCN(CC)CCNCc1cc2ccc(OC)cc2[nH]c1=O 19823968 YZVQFLZKDMQHGX-UHFFFAOYSA-N 303.406 1.968 0 40 DDAB Fc1ccc(-n2c(CCN3CCOCC3)n[nH]c2=S)cc1 19972758 UDGHUFZOOJPDJE-UHFFFAOYSA-N 308.382 1.944 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 169682320 KVMAWRQFOJLWOB-LACSLYJWSA-N 309.321 1.942 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc2ccccc12 169684109 MAZNKLATDRBDTB-FPXQBCRKSA-N 321.332 1.645 0 40 DDAB Cn1cccc1[C@@H](O)CNC(=O)c1cncc(Br)c1 206697316 GEHXPEOQCFAAPB-LBPRGKRZSA-N 324.178 1.646 0 40 DDAB Cc1oncc1C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 252552025 ULXYETKWMULVCT-HAQNSBGRSA-N 302.334 1.893 0 40 DDAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)c1F 253473302 UBAWLSWNSXCKRJ-VIFPVBQESA-N 315.370 1.123 0 40 DDAB O=C(COc1ccccc1)NCC(=O)N1CCc2ccccc21 3534045 QXZWTPWQUSWMCO-UHFFFAOYSA-N 310.353 1.771 0 40 DDAB NC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 6289982 WXNRPHUKXKMORD-UHFFFAOYSA-N 302.305 1.620 0 40 DDAB O=C([C@@H]1CN(c2ncc(Cl)cn2)CCO1)N1CCCCC1 1888835038 IWXQILZESGMACE-LBPRGKRZSA-N 310.785 1.348 0 40 DDAB COC(CNc1c(NCc2cccc(Cl)c2)c(=O)c1=O)OC 1889056389 OTLLFRKBJHVJDB-UHFFFAOYSA-N 324.764 1.579 0 40 DDAB Cc1cnc(C)c(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889096274 QSCWURNRHROODN-CQSZACIVSA-N 320.462 1.885 0 40 DDAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCCC1 17320509 JKMIWQFTFBGLDM-UHFFFAOYSA-N 308.403 1.753 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3n[nH]cc3C)C2)CC1 1848355397 DHASFDPUIREJSV-OAHLLOKOSA-N 318.421 1.683 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 23483754 GYZPVOULQTUFBZ-HNNXBMFYSA-N 321.402 1.127 0 40 DDAB CCCCOC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 30835925 GQQXPXLCDZRPGS-UHFFFAOYSA-N 300.380 1.862 0 40 DDAB Cc1ncc(C(=O)N2CCCC[C@H]2c2cc(O)n(C)n2)c(C)n1 2037844073 NHUPWGLQOSNURE-AWEZNQCLSA-N 315.377 1.900 0 40 DDAB COc1ccnc(N2CCC(Oc3nc(C)cnc3C)CC2)n1 2086962025 MYQYBAXUDTVZEQ-UHFFFAOYSA-N 315.377 1.940 0 40 DDAB CCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2)n1 4770232 YJDKTUGCLYBQOF-UHFFFAOYSA-N 321.308 1.603 0 40 DDAB CCC(CC)CN1CCC(Nc2ccnn2C)(C(=O)NC)CC1 2055746539 WZSYBCJZXAQRDX-UHFFFAOYSA-N 321.469 1.849 0 40 DDAB CCCc1cc(=O)n(CC(=O)NCc2ccc(OC)cc2)cn1 36703791 SMJBNXPESYNCCN-UHFFFAOYSA-N 315.373 1.521 0 40 DDAB COc1ccc(CNS(=O)(=O)N2CCCCC2)cc1OC 40050356 HXFSCEXEOQFNRI-UHFFFAOYSA-N 314.407 1.524 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cnc3onc(C)c3c2)c(=O)[nH]1 30937789 WERFJHBBBOLRHJ-UHFFFAOYSA-N 312.329 1.766 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)C[C@@H](C)O1 40498090 VPLUZDOTBRANGZ-GHMZBOCLSA-N 319.336 1.171 0 40 DDAB CC(C)CN(CC(N)=O)S(=O)(=O)c1ccccc1Cl 31656964 IBDJCTBHTUCPIZ-UHFFFAOYSA-N 304.799 1.472 0 40 DDAB OCCN1CCN(C[C@H](O)c2cc(Cl)ccc2Cl)CC1 51091340 NMHNOGHOESIINF-AWEZNQCLSA-N 319.232 1.637 0 40 DDAB COCC(=O)N1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 40540679 MJTKNDYKPPKQEM-LLVKDONJSA-N 310.398 1.219 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)NCc1cc2c(s1)CCCC2 20615007 XXYTUXHLSJPTJI-UHFFFAOYSA-N 319.386 1.989 0 40 DDAB COC(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1 52040487 VFHYPVWUBPLJPD-UHFFFAOYSA-N 304.177 1.683 0 40 DDAB CCOC(=O)[C@H](C)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 101919892 MQTBVFGSYIGTQZ-FZMZJTMJSA-N 323.368 1.973 0 40 DDAB COC(=O)C1=NN(C(=O)Cc2ccccc2)[C@](O)(C(C)(C)C)C1 301897 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Cc1ccc(/C=C/C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 79050639 SHJGHKUKVJWQIJ-IWAYRVGRSA-N 318.417 1.160 0 40 DDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccccc1 1934343 ZURHYUKLLFCUNU-UHFFFAOYSA-N 312.325 1.598 0 40 DDAB Cc1ccc(S(=O)(=O)c2ncccc2CNCCO)cc1 79486045 MHFVZRFJJBQDPR-UHFFFAOYSA-N 306.387 1.305 0 40 DDAB Cc1cc(C(=O)NCCNC(=S)NC2CCCCC2)nn1C 2740859 AYHKMXCNJCCBBA-UHFFFAOYSA-N 323.466 1.255 0 40 DDAB Cc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1 3487211 DLUBGYVTKRWDOQ-UHFFFAOYSA-N 304.346 1.920 0 40 DDAB COc1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1 3510716 YQUNABYANFLTHP-UHFFFAOYSA-N 320.345 1.620 0 40 DDAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)NC2CC2)cc1OC 4870447 CMJKJWGDJPXOHQ-SECBINFHSA-N 323.345 1.536 0 40 DDAB COc1ccccc1-c1noc(CSc2nnnn2C)n1 7132874 KSHGFFJLMZAPMT-UHFFFAOYSA-N 304.335 1.561 0 40 DDAB O=C(CC1CCCC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 23100579 QPILITPMEOLGJU-UHFFFAOYSA-N 317.389 1.240 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccccc1F)CS2 7754201 QJOGVRTURVULAQ-DOMZBBRYSA-N 308.378 1.896 0 40 DDAB 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308.359 1.886 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)OCc2cnn(-c3ccccc3)n2)cn1 70018972 HNZFYLRGDFMKMF-HZPDHXFCSA-N 323.356 1.848 0 40 DDAB COc1cccc(S(=O)(=O)CCSc2nncn2C)c1 69351619 IUBZTJNKQNUSDT-UHFFFAOYSA-N 313.404 1.390 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2nnc(C3CC3)o2)n1 69460037 FLAGKOOTOLAOBT-ZDUSSCGKSA-N 302.382 1.820 0 40 DDAB CN(CCN1CCOCC1)C(=O)C1=NO[C@@H](c2ccccc2)C1 69560522 FWZUEIZGJVHXME-MRXNPFEDSA-N 317.389 1.295 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(-c3cccs3)no1)CC2 69659361 HIJZQYDIGHPVIH-JTQLQIEISA-N 316.390 1.803 0 40 DDAB C[C@H]1CCC[C@@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1 69655955 CLMWTLKWSGTHDK-AAEUAGOBSA-N 317.455 1.146 0 40 DDAB Nc1nc(N)nc(CSc2nc3ccc(Cl)cc3[nH]2)n1 17674218 HNAOTLBGZLUVPK-UHFFFAOYSA-N 307.770 1.858 0 40 DDAB C[C@H](C(=O)NCc1ccco1)N1CCCC[C@@H]1Cn1cncn1 71878728 LXFTWLZGXBMVEW-ZIAGYGMSSA-N 317.393 1.431 0 40 DDAB CCc1noc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)n1 69818171 LFLZINJYIDBQNQ-ZDUSSCGKSA-N 304.398 1.753 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCOc2ccccc2F)CC1 69969549 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COCC(=O)N1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 257324365 WOJWZFJQPIRQSP-LBPRGKRZSA-N 315.377 1.528 0 40 DDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)CC1CC1 257204190 ATLFGRRAFFPHJZ-KRWDZBQOSA-N 321.396 1.811 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O)c1ccccn1 257332678 XYFWCHOGRNYYIN-HZPDHXFCSA-N 315.348 1.196 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2cnco2)n1 257278411 OCDNQENRSNEJFF-ZDUSSCGKSA-N 301.350 1.504 0 40 DDAB Cc1cc(-c2cc([C@@H]3CCCN3S(C)(=O)=O)nc(C)n2)[nH]n1 257257978 KRWNUUCYRBZGJT-AWEZNQCLSA-N 321.406 1.580 0 40 DDAB O=C(c1cccnc1O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257339647 ZCPOEJXWWCGVGW-ZIAGYGMSSA-N 318.304 1.191 0 40 DDAB NCc1cc(C(=O)N2CCNC[C@H]2c2cccc(F)c2)ccn1 262016985 RIPJGYVCASNXOI-INIZCTEOSA-N 314.364 1.466 0 40 DDAB Cn1nnnc1SCCC(=O)c1ccc2c(c1)OCCO2 278323206 VVKVPCWGRGYEEO-UHFFFAOYSA-N 306.347 1.346 0 40 DDAB O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccoc1 285547324 IFPCGSSRGBFPRV-DGCLKSJQSA-N 315.391 1.126 0 40 DDAB N#Cc1ccccc1S(=O)(=O)N1CC(OCC(F)(F)F)C1 390830255 JSUVDHNXQBHLOQ-UHFFFAOYSA-N 320.292 1.510 0 40 DDAB Cc1snnc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1 585107695 YRICCTANKRSJGF-QWRGUYRKSA-N 306.391 1.072 0 40 DDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C)c2)CC1 69844679 OZUPUGNBPVNOPI-UHFFFAOYSA-N 319.361 1.234 0 40 DDAB O=C(NCc1ccoc1)N1CCN(Cc2cscn2)CC1 56715071 BXZAPDKRAJSPKR-UHFFFAOYSA-N 306.391 1.764 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)CCO2)n1 76045488 JXNBPZLQLBDSHD-YUTCNCBUSA-N 322.409 1.608 0 40 DDAB C[C@@H](O)C[C@@H](C)CNC(=O)CCc1nc(-c2ccco2)no1 76019580 ZJLCEOQBLQZOHB-GHMZBOCLSA-N 307.350 1.785 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1 78771183 IDXLAPQAISPFAG-CABCVRRESA-N 316.409 1.734 0 40 DDAB CC(C)[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)O 78824828 FSZVRAXHRINVEE-LBPRGKRZSA-N 323.374 1.956 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 108061230 QRPNBXCQDLTLLP-FQUUOJAGSA-N 314.451 1.353 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1ccccc1C)NC(=O)N2 12345998 AQFBEMCUFSGVSA-CQSZACIVSA-N 301.346 1.092 0 40 DDAB COc1cn(CC(=O)NCCc2ccccc2)c(C)cc1=O 12449762 DHRDUZADPBVUIC-UHFFFAOYSA-N 300.358 1.524 0 40 DDAB biogenic CCOCCCN1C(=O)/C(=C\c2ccccc2O)NC1=S 14189008 SSBWTESBCDWZMR-ZRDIBKRKSA-N 306.387 1.876 0 40 DDAB CCn1cncc1C(=O)N1CCCC[C@@H]1CCNC(=O)COC 19745854 ULWWUZVLOUDQFD-CYBMUJFWSA-N 322.409 1.050 0 40 DDAB O=S1(=O)N=C(NCCCOC[C@@H]2CCCO2)c2ccccc21 10202787 ABPAPVISESURNY-LBPRGKRZSA-N 324.402 1.311 0 40 DDAB COC(=O)CNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 5950396 MJZLALCRENFOGA-JTQLQIEISA-N 300.355 1.065 0 40 DDAB COc1cccc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)c1 1888844434 CKFLKLQHRQOZFP-QGZVFWFLSA-N 318.417 1.909 0 40 DDAB O=S(=O)(NC[C@@H]1COc2ccccc2C1)N1CCCCCC1 23404573 KPRXYMQFZRELIR-CQSZACIVSA-N 324.446 1.948 0 40 DDAB COc1ccc(Br)c(C(=O)N2CC[C@@H](CN)C2)c1 50245759 OXGKYDHZKUMVCK-VIFPVBQESA-N 313.195 1.879 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CN1Cc1cccnc1 1565547054 DRYSXCPIRCCJFE-KGLIPLIRSA-N 317.364 1.391 0 40 DDAB O=S(=O)(c1cccs1)N1CCCN([C@H]2CCOC2)CC1 1565523478 OHDKNJAWRPGKGG-LBPRGKRZSA-N 316.448 1.233 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(CC3CC3)C2=O)C1 1565546105 UBZFMGRZEJDIQR-BORJPKMPSA-N 318.417 1.130 0 40 DDAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C1CC1 12443166 ABSHYESPZQMQST-UHFFFAOYSA-N 323.356 1.696 0 40 DDAB CC(C)(C)C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 23127817 LIKBCVYZYAKZFZ-CQSZACIVSA-N 304.390 1.749 0 40 DDAB Fc1cnc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)nc1 2086861150 NELKIDHQLSWWKS-GHMZBOCLSA-N 303.316 1.722 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CC(CN2C(=O)CCC2=O)C1 606440723 UYNXEYLLWAINIW-GFCCVEGCSA-N 316.357 1.061 0 40 DDAB CCCN[C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)O 5258334 JVRBXTLKIYKQTM-GFCCVEGCSA-N 310.350 1.485 0 40 DDAB C[C@H](C(=O)O)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 12086495 ICBAGNCLXBDYLD-DIFFPNOSSA-N 317.341 1.876 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(O)nn1)c1ccccc1 40015848 HBEFSRKIYDQUBG-AWEZNQCLSA-N 309.329 1.435 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 488839 CNSGYHNQURHNQW-ZXFNITATSA-N 313.353 1.532 0 40 DDAB biogenic N[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 20475487 OOIREHOPLOJCKQ-SNVBAGLBSA-N 319.224 1.561 0 40 DDAB COc1ccccc1-c1cc(C(=O)Nn2cnnc2S)no1 30034965 LTXSNWYVCPGKTR-UHFFFAOYSA-N 317.330 1.614 0 40 DDAB CSCC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)O 20000699 CNQYLPKESHVNPV-CABZTGNLSA-N 311.359 1.149 0 40 DDAB COc1ccc(S(=O)(=O)NCCn2ccnc2)cc1Cl 30322628 SJLIMLJOZXSSII-UHFFFAOYSA-N 315.782 1.524 0 40 DDAB Cc1cnc(C(=O)Nc2cccc(CN3CCOC3=O)c2)cn1 40118896 AGILNMBNBOHZMZ-UHFFFAOYSA-N 312.329 1.990 0 40 DDAB CN(Cc1ccccc1Cl)S(=O)(=O)N1CCOCC1 40488205 CXJPGAVZECELCJ-UHFFFAOYSA-N 304.799 1.349 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCO1 40479674 ZIYJHJXEJWVZIR-CYBMUJFWSA-N 313.357 1.153 0 40 DDAB CC1CCN(CCNC(=O)Cn2nnc3ccccc32)CC1 40534659 UPZANCDXDCTVAM-UHFFFAOYSA-N 301.394 1.279 0 40 DDAB C[C@H](N(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(C)(C)C 101699643 PXFIZWQULMESTR-YLXLXVFQSA-N 318.417 1.687 0 40 DDAB Cc1cc(CN2CCN(Cc3nnsc3Cl)CC2)on1 32491133 XAPKHICQSXNHEA-UHFFFAOYSA-N 313.814 1.806 0 40 DDAB CCCCCNC(=O)c1nn(-c2ccccc2F)nc1CO 21172830 SONCUHHCBZKBLJ-UHFFFAOYSA-N 306.341 1.819 0 40 DDAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)O)n1 41155446 WLFARDXJNOKLNH-UHFFFAOYSA-N 303.771 1.837 0 40 DDAB Cc1cnc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cn1 41594935 KLCXUKHDHNLQLX-UHFFFAOYSA-N 316.405 1.650 0 40 DDAB C[C@H](C(=O)NCCc1ccccc1C(F)(F)F)S(C)(=O)=O 53233842 CXXFTWQLWLMWEB-SECBINFHSA-N 323.336 1.797 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)nc2n1 53385025 ORPCQWASFQFHTR-NWDGAFQWSA-N 301.350 1.135 0 40 DDAB C[C@H](NC(=O)N1CCO[C@H](CO)C1)c1ccc(F)c(F)c1 78821818 ARTHEOHNBRGTDG-ONGXEEELSA-N 300.305 1.429 0 40 DDAB CCC[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1579636 UZHWJZICZBCMQG-GXTWGEPZSA-N 303.362 1.407 0 40 DDAB Cc1c(CNC(=O)c2nn3cccnc3c2Cl)cnn1C 2793894 RUOXMKFRWYCZOK-UHFFFAOYSA-N 304.741 1.355 0 40 DDAB O=C1CCCN1CCCN1C(=O)N[C@@H](Cc2ccccc2)C1=O 4295046 MDYOUMZOGWUPHY-AWEZNQCLSA-N 315.373 1.162 0 40 DDAB Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 3128440 MIUDPMAYZUGPJF-STQMWFEESA-N 311.403 1.405 0 40 DDAB CCOc1ccc(OC[C@H](O)CN2C[C@@H](C)OC[C@@H]2C)cc1 106049643 RNALYRRDOSIKLT-RRFJBIMHSA-N 309.406 1.934 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(Cc3nccn3C)CC2)C[C@@H](C)O1 43272087 HUCLDQIRPMHPGI-OKILXGFUSA-N 320.437 1.268 0 40 DDAB CCOC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1CC 34896519 ITKDFDFVRPSODR-XQQFMLRXSA-N 323.437 1.873 0 40 DDAB COc1ccccc1NC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 26225042 YCDOCWNFJICKGU-STQMWFEESA-N 307.394 1.926 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 47954476 BHGOGAFDCPSNPJ-BBRMVZONSA-N 319.357 1.537 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)N1 108997649 RIIJVOUFVUGWKI-SRVKXCTJSA-N 305.378 1.013 0 40 DDAB CN(CC(=O)N1CCN(CCc2ccccc2)CC1)C1CC1 58015403 XVTPOMIBGKMQIG-UHFFFAOYSA-N 301.434 1.468 0 40 DDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCO3)no1 10028853 ITDLPOPAEWJOBR-VIFPVBQESA-N 318.285 1.896 0 40 DDAB C[C@@](N)(Cc1ccccc1I)C(=O)O 26897683 VLXKWRXNLMASPM-SNVBAGLBSA-N 305.115 1.636 0 40 DDAB COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cn1 58230632 XRWRFCGHFBZAOP-UHFFFAOYSA-N 314.280 1.457 0 40 DDAB Cc1cccc(NC(=O)COc2ccc(-n3cnnn3)cc2)n1 27975981 LGJCCNIJIJRJOQ-UHFFFAOYSA-N 310.317 1.383 0 40 DDAB CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(O)cc2)CC1 48288268 PEKGWDWIZOOADY-UHFFFAOYSA-N 305.378 1.131 0 40 DDAB Cc1ccccc1NCCC(=O)NC[C@@H](C)N1CCOCC1 58323950 RIHWJHMRABCWKF-OAHLLOKOSA-N 305.422 1.634 0 40 DDAB CC[C@@](C)(CNC(=O)N[C@H](C)Cn1cccn1)N1CCOCC1 48276492 NBBYYMQCFLVINO-ZBFHGGJFSA-N 323.441 1.072 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1C(F)(F)F 12743921 ULJOZHAWHOKEGR-VIFPVBQESA-N 317.311 1.981 0 40 DDAB NC(=O)[C@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1 45340672 UHBZRSOJAMFQCT-MRXNPFEDSA-N 316.332 1.937 0 40 DDAB O=C(NC1CCC(O)CC1)N1CCN(c2ccccc2F)CC1 45548307 OVLRLXIWZURHKG-UHFFFAOYSA-N 321.396 1.961 0 40 DDAB COc1ccccc1N1CCN(C(=O)NCc2cc[nH]n2)CC1 48331447 CSMAUZUMEHPNLK-UHFFFAOYSA-N 315.377 1.450 0 40 DDAB C[C@@H]1COCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 46255589 ODANQPTVJQDGGO-SNVBAGLBSA-N 311.765 1.901 0 40 DDAB NC(=O)NC(=O)CCN1CCC[C@H](c2nc3ccccc3o2)C1 29827863 JZYHYRFRIQBONP-NSHDSACASA-N 316.361 1.592 0 40 DDAB CSc1ncccc1C(=O)OCC(=O)Nc1cc(C)on1 3450945 CJVYNGKHIFINLD-UHFFFAOYSA-N 307.331 1.895 0 40 DDAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)C1CCC1 13326691 DXEMTDHXVKWQOW-UHFFFAOYSA-N 302.334 1.798 0 40 DDAB COc1ccc(CCN(C)Cc2nccc(N)n2)cc1OC 95432375 WXIXONHBIWTPIH-UHFFFAOYSA-N 302.378 1.751 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(Cl)cn1 8992210 KUKIQJFADOFTDY-UHFFFAOYSA-N 315.720 1.479 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 4226906 FRCDZAQHPUAIIN-UWVGGRQHSA-N 302.808 1.994 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 65458523 IWPVGMQGCFIMJO-MXWKQRLJSA-N 309.414 1.646 0 40 DDAB O=C(NCc1nc(-c2ccccc2)n[nH]1)NC[C@@H]1CCCO1 65532091 VHPFZWMVGYGHOT-LBPRGKRZSA-N 301.350 1.450 0 40 DDAB CCNC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 65612258 SXUOEBXOVVSVKT-UHFFFAOYSA-N 303.406 1.883 0 40 DDAB COC(=O)[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C(C)C 71333054 IXCSDJRVSQFAFA-GFCCVEGCSA-N 304.350 1.138 0 40 DDAB C[C@@]1(NC(=O)CSc2ccccc2F)CCS(=O)(=O)C1 6880010 WKEOPALQEBODDS-CYBMUJFWSA-N 317.407 1.611 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N1CCC[C@@H](CO)C1)C2 71796333 FWKJDOFGTRMMCC-TZMCWYRMSA-N 320.389 1.413 0 40 DDAB CC(C)[C@@H](CNC(=O)NCc1cccnc1)N1CCN(C)CC1 71798621 FWLVZKDFTLIWLL-MRXNPFEDSA-N 319.453 1.153 0 40 DDAB CC(C)c1noc([C@H](C)N2CCN(CCn3cncn3)CC2)n1 69512537 POFCHSUMNHBYOI-ZDUSSCGKSA-N 319.413 1.163 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 69521132 KRUGTMJFNVVYFB-OAGGEKHMSA-N 319.449 1.330 0 40 DDAB COC(=O)[C@H](NC(=O)c1cnn(C)c1)c1cc(F)ccc1F 69737039 ZFBMASYOBPJUPS-GFCCVEGCSA-N 309.272 1.342 0 40 DDAB O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1cnc[nH]1 70415698 IUEQOYLLCPOWCA-UHFFFAOYSA-N 303.246 1.187 0 40 DDAB C[C@H](C(=O)N(C)C)S(=O)(=O)Cc1ncc(-c2ccccc2)o1 71857615 VHUGRABFLIIRDT-LLVKDONJSA-N 322.386 1.733 0 40 DDAB O=C(c1cccnc1N1CCCCC1)N1CCN(C2CC2)CC1 71836653 PLADJOODKIUKLP-UHFFFAOYSA-N 314.433 1.992 0 40 DDAB CC(C)c1nc(CN2CCCN(c3cccnn3)CC2)no1 69873452 BHHHAAQKCKULSI-UHFFFAOYSA-N 302.382 1.695 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCCC[C@@H]3Cn3cccn3)cn12 71865405 XUYKFNRSMHCEQX-OAHLLOKOSA-N 324.388 1.929 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCn3c(nnc3C3CC3)C2)on1 71880305 UIHQQNYDNWEZLL-JTQLQIEISA-N 316.365 1.295 0 40 DDAB O=C1CCN(C(=O)CCCOc2ccc(F)cc2F)CCN1 71839477 UWWLFDMXVTZEQN-UHFFFAOYSA-N 312.316 1.472 0 40 DDAB CC(C)(CO)NC(=O)c1cc(N2CCCC2=O)ccc1Cl 97047427 WPTJFYXXKBSADN-UHFFFAOYSA-N 310.781 1.968 0 40 DDAB Cc1cc(=O)[nH]c(C)c1C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 72312567 ONMHVJCXYXMEFU-GWCFXTLKSA-N 320.389 1.843 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)CC2(O)CCCCC2)C[C@H]1C 95434639 FSMMQDJZBGEJQL-GASCZTMLSA-N 312.454 1.639 0 40 DDAB CCN(C(=O)N(C)C[C@@H](O)CN(C)C)c1ccnc(Cl)c1 95964331 PFRUHOPUPPAPGK-LBPRGKRZSA-N 314.817 1.536 0 40 DDAB CC(C)N1CCC[C@H](N2CCN(Cc3cccnc3)CC2)C1=O 95975878 RHTUQBNMFKBSSF-KRWDZBQOSA-N 316.449 1.599 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cnn(C)c1 95949045 QQYHNHQXDWCFAA-MRXNPFEDSA-N 312.373 1.895 0 40 DDAB O=C(Nc1ccc(Br)cc1O)[C@H]1COCCO1 75664708 NRSMSPKNYOTLMX-SNVBAGLBSA-N 302.124 1.509 0 40 DDAB C[C@H]1CCC[C@@H](C)N(Cc2nc(CS(C)(=O)=O)no2)C1 75767301 HTWLBJHEROIJBA-WDEREUQCSA-N 301.412 1.625 0 40 DDAB C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@H]1N1CCOCC1 76054019 HLOITPDQVPNPFJ-TZMCWYRMSA-N 321.421 1.765 0 40 DDAB CCc1nncn1CCNC(=O)N[C@@H](C)Cc1cccc(F)c1 76087077 DNXIRBUESKGHNU-LBPRGKRZSA-N 319.384 1.910 0 40 DDAB O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2CNC[C@@H]21 306142673 XGEWIVPMUNXCEE-JSGCOSHPSA-N 304.346 1.730 0 40 DDAB Cc1nc(NCCC(=O)N2CCOCC2)c2c(C)csc2n1 121136434 TYEDZUYMBVRYMA-UHFFFAOYSA-N 320.418 1.969 0 40 DDAB CSc1ncc(C(=O)O[C@H](C)C(N)=O)n1-c1ccc(F)cc1 39569002 ZXRCUYSKEMZVMX-MRVPVSSYSA-N 323.349 1.764 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 79412402 MNGFFFMMYKIFID-HNNXBMFYSA-N 319.405 1.595 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 39918080 SLURICPJDQTYFX-CQSZACIVSA-N 303.406 1.498 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 62132661 HNIDYXFNWNMNPK-CYBMUJFWSA-N 309.387 1.661 0 40 DDAB O=C(Cn1cnnn1)NCCCO[C@@H]1CCCc2ccccc21 70874381 SWCHKPIDNAKHLE-OAHLLOKOSA-N 315.377 1.274 0 40 DDAB Cc1cc(C)n(-c2ccc(CC(=O)N(C)[C@@H]3CCNC3)cc2)n1 566063005 SKNJGMKTGFBKTG-QGZVFWFLSA-N 312.417 1.852 0 40 DDAB CCOC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)C1 39645178 VCVHCJHNQOLOGK-GFCCVEGCSA-N 307.346 1.615 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)cc1F 77939407 VQIIYDAGCPIRDP-RISCZKNCSA-N 308.353 1.740 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(COC)C(=O)O 218405235 NTEMSNPWKMYJHC-KCQAQPDRSA-N 312.387 1.613 0 40 DDAB O=C(c1ccno1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 77266335 GSZZLFGBIWNPFW-CYBMUJFWSA-N 318.377 1.569 0 40 DDAB biogenic,in-vitro CCOc1ncccc1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 225521042 UOBSHOUVRAMEDS-GFCCVEGCSA-N 314.389 1.933 0 40 DDAB Cc1ccc(CS(=O)(=O)NC(=O)c2cscn2)c(F)c1 190860992 OOKZFHIGYBEKLY-UHFFFAOYSA-N 314.363 1.850 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@@H](CO)O1 225551709 OTLWKVILVLPTQF-ADEWGFFLSA-N 324.343 1.899 0 40 DDAB CC(C)(C)c1nnc(N2CCC[C@@H](NS(C)(=O)=O)C2)s1 97103073 PNDZYBMOQZVHIJ-SECBINFHSA-N 318.468 1.354 0 40 DDAB CC(C)NC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245310 JXRSNGPOEPCUPJ-HIFRSBDPSA-N 319.380 1.834 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccc(C)cc1 96245770 JDYCJKWEVWOOCR-HUUCEWRRSA-N 302.374 1.457 0 40 DDAB CC(=O)c1cn(Cc2nc(C)c3ccccc3n2)c(=O)n(C)c1=O 96466319 AOWFYNCWJVGUGO-UHFFFAOYSA-N 324.340 1.050 0 40 DDAB C[C@@](Br)([C@H](O)c1cccc(N)c1)S(C)(=O)=O 96521240 HHFWHOCCXKZBSF-ZJUUUORDSA-N 308.197 1.458 0 40 DDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 96066101 BMCNZIDNCQBLTO-USXIJHARSA-N 322.449 1.561 0 40 DDAB CC[C@](O)(CNS(C)(=O)=O)c1ccc(Br)cc1 96472907 XWKSNBZPBYVXCC-NSHDSACASA-N 322.224 1.596 0 40 DDAB CN1CC[C@]2(CN([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201864 KQDQHBMOSKSQHH-SOLBZPMBSA-N 300.402 1.723 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 96069871 KMNKABIWRKWGQK-QWHCGFSZSA-N 324.427 1.510 0 40 DDAB Cc1ccc(N2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)nn1 96239140 ZJLSUYQTJWATFD-QGZVFWFLSA-N 309.373 1.813 0 40 DDAB CCN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 96186204 QJWUSJXGCAWLKN-GHMZBOCLSA-N 314.432 1.522 0 40 DDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccncc4)CC[C@@H]23)o1 96208203 MMIVCQUAEJVPLZ-OAGGEKHMSA-N 314.389 1.853 0 40 DDAB CN1CCN(C(=O)Cc2cccc(NC(=O)C3CC3)c2)CC1 96445165 MCSUROJAUWCTDE-UHFFFAOYSA-N 301.390 1.352 0 40 DDAB O=C(C1CCOCC1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053845 PXHDCEUJBTWEBH-HZPDHXFCSA-N 315.417 1.398 0 40 DDAB COC(=O)c1ccc2c(c1)CN(C[C@@H]1CCCO1)C(=O)CO2 96530226 LEGGJKFWCXVOOA-ZDUSSCGKSA-N 305.330 1.373 0 40 DDAB CCC[C@]12CCCN1C(=O)N([C@H]1CC(=O)N(C3CC3)C1)C2=O 349072959 WRHBKUKIJQXVDN-BLLLJJGKSA-N 305.378 1.347 0 40 DDAB COCCN1CCO[C@H]2CCN(c3ccc(C)nn3)CC[C@H]21 247913052 LSNLBUKWRWLQGC-CABCVRRESA-N 306.410 1.101 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CC3CCCC3)CCO2)n1 257202027 AKDWOBQQLHLRPG-AWEZNQCLSA-N 305.378 1.971 0 40 DDAB CN(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1O 257216880 CWLYDNKNCOGKGQ-VXGBXAGGSA-N 302.296 1.452 0 40 DDAB CN1CCC(C)(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)CC1 257224811 FDLQJOWXCSYGAM-RBSFLKMASA-N 320.437 1.186 0 40 DDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1ccncn1 257266871 MEXQFIYCHOBTBL-AWEZNQCLSA-N 312.377 1.553 0 40 DDAB CN1CCCC[C@@H]2[C@H]1CCCN2CC(=O)NCc1ccccn1 257234945 GVSNUKGAFICHQE-IAGOWNOFSA-N 316.449 1.647 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ncoc1C 257272842 NECNIPXQYFLTRG-CYBMUJFWSA-N 316.361 1.555 0 40 DDAB COCCN1CCC(Cc2cc(-c3cc[nH]n3)ncn2)CC1 257261891 LJFLMOUVPPRXGD-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ncoc1-c1ccon1 1540586945 SOTAKWVRZHIMKV-UHFFFAOYSA-N 323.272 1.762 0 40 DDAB COc1ccccc1[C@H]1CN(C(=O)Cn2cccn2)CCN1C 257313805 UUFIYJXOQUYOFG-OAHLLOKOSA-N 314.389 1.407 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(C)c[nH]3)C2)cc1 257262758 LMTOYLBSRUDPGZ-GFCCVEGCSA-N 321.402 1.905 0 40 DDAB O=C(CC1(O)CCCCC1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257229333 FXRUDLJPNKKDPZ-BFYDXBDKSA-N 324.465 1.566 0 40 DDAB CCN(CC(=O)OC(C)(C)C)C1CCN([C@@H]2CCOC2)CC1 390834726 USPWKOSYJQIYMQ-OAHLLOKOSA-N 312.454 1.903 0 40 DDAB CC(C)CC(=O)N1Cc2cncn2[C@H](C(=O)NCC2CC2)C1 585095718 FTISZABKWMAMFP-AWEZNQCLSA-N 304.394 1.339 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585139906 NUAJVDCSLMYMBW-RWMBFGLXSA-N 302.440 1.210 0 40 DDAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)C2CC2)CC1 75156986 KSUWIAFFNYEMLD-UHFFFAOYSA-N 312.391 1.214 0 40 DDAB CCc1cc(NC(=O)NCC[S@](=O)C(C)(C)C)n(C)n1 83820379 STMNAUIABVNGQZ-HXUWFJFHSA-N 300.428 1.651 0 40 DDAB NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc12 83996188 VGBYJMRDVHINGT-KGLIPLIRSA-N 318.398 1.772 0 40 DDAB COCc1cnc(C2=NC(=O)[C@](C)(C(C)C)N2)c(C(=O)OC)c1 60003345 WTJDEAVBSGKUGF-INIZCTEOSA-N 319.361 1.306 0 40 DDAB in-vitro NC(=O)[C@@H](Nc1ncnc2c1oc1ccccc12)[C@H]1CCOC1 95452103 DZUAQUFSODOUEM-CABZTGNLSA-N 312.329 1.678 0 40 DDAB CC(C)(C)c1cc(NC(=O)NCCO)n(-c2ccccn2)n1 97113988 UOWGGYOFJZKIAN-UHFFFAOYSA-N 303.366 1.679 0 40 DDAB CC1(C)CCC2(CCN(C3COC3)CC2)CN1S(C)(=O)=O 1615154941 KDPACPFOZXUHSB-UHFFFAOYSA-N 316.467 1.301 0 40 DDAB COc1cccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 12982546 ZHDQXCFYBDVWGA-XJKSGUPXSA-N 320.414 1.765 0 40 DDAB Cc1cc2nc([C@H]3CCN(C(=O)c4ccccn4)C3)cc(O)n2n1 13226860 WKXHDNQGIGPHNU-LBPRGKRZSA-N 323.356 1.768 0 40 DDAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(C=O)CC1 13709528 CXBLFVMJSBZOHC-CQSZACIVSA-N 312.369 1.908 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc2c(c1)OCO2 14094587 IMQGQNAGJKXOCM-VXGBXAGGSA-N 313.309 1.549 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 6355861 DOVVHDDZGQAMJF-LLVKDONJSA-N 315.391 1.624 0 40 DDAB O=C(COc1ccc(CNc2nn[nH]n2)cc1)N1CCCCC1 6883203 KQYJFDWCORKCED-UHFFFAOYSA-N 316.365 1.203 0 40 DDAB COc1cnc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]1c1ccnn1C 1888843115 XPFQSSPHPUYAEI-KBPBESRZSA-N 312.373 1.907 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)nc1 1888897962 KQEWRDWQUHXCQX-GFCCVEGCSA-N 324.392 1.557 0 40 DDAB CC(=O)c1cc(C(=O)N2CCC3(CCCCN3C)CC2)n[nH]1 1565545153 YOSZKDVEXZLNKW-UHFFFAOYSA-N 304.394 1.703 0 40 DDAB COC[C@H]1CN(C(=O)CC2(OC)CCC2)Cc2cn(C)nc21 1565549115 QEYKHOFDPCAOHN-CYBMUJFWSA-N 307.394 1.452 0 40 DDAB COc1ccc(OC)c(NC(=O)CSc2nncc(O)n2)c1 4248962 AFXHDVQEBLDQGK-UHFFFAOYSA-N 322.346 1.325 0 40 DDAB CC(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1 4328392 XGVWMVCMQZWBTI-UHFFFAOYSA-N 312.376 1.498 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1ccco1 10331002 ZKGHGKSJGKVTMK-LBPRGKRZSA-N 321.402 1.376 0 40 DDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)C2CC2)C1 2055746486 MYTYAVKQFFFJOM-NWANDNLSSA-N 318.373 1.312 0 40 DDAB CC(C)(C)C(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738907 ZJQUSQNZOXDNPO-NSHDSACASA-N 319.405 1.834 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2CC2CCCCC2)O1 2055754630 LFNLTCYWFRXMHF-ZACQAIPSSA-N 324.465 1.951 0 40 DDAB Cc1ccc2c(c1)s/c(=N/C(=O)CN1C(=O)CCC1=O)n2C 100815497 CQVLTKYUGJUYCC-FOCLMDBBSA-N 317.370 1.125 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 585149622 CSFYQSBMLACHNW-CYBMUJFWSA-N 306.391 1.502 0 40 DDAB COc1ccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C2CC2)cc1 31258836 WQCPRHANIKFHCR-MRXNPFEDSA-N 315.373 1.871 0 40 DDAB COc1ccc(Cl)cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 40497136 BJXPRQVZLXKOME-VIFPVBQESA-N 317.794 1.513 0 40 DDAB Cc1cc(NC(=O)CN2CCN(Cc3ccco3)CC2)no1 40477298 MAINLBGRXUUVFF-UHFFFAOYSA-N 304.350 1.332 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1CCCC[C@@H]1C 40528136 PHLJPLHWFRTRQJ-JTQLQIEISA-N 301.412 1.444 0 40 DDAB CCCCN1CCN(S(=O)(=O)c2cccc3nonc23)CC1 32579194 SWFWIQOSXVQPTL-UHFFFAOYSA-N 324.406 1.329 0 40 DDAB Cc1noc(C)c1Cc1nnc2sc(-c3ccnn3C)nn12 72405065 NUYBMHOXEBKSAJ-UHFFFAOYSA-N 315.362 1.782 0 40 DDAB CCC1=C(C(=O)OC)[C@@H](c2cn(C)nc2C)n2ncnc2N1 2733841 BUZLHKCHQOUYFU-GFCCVEGCSA-N 302.338 1.172 0 40 DDAB Cc1cc(CN2CCN(CC(=O)c3cccn3C)CC2)on1 22254867 TUBKPXBYVUZMQL-UHFFFAOYSA-N 302.378 1.322 0 40 DDAB C[C@@H]1CN(CCCNC(=O)c2n[nH]c3ccccc23)C[C@@H](C)O1 47434200 DXZIROOHHJSFLY-CHWSQXEVSA-N 316.405 1.792 0 40 DDAB O=C(NCCO)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12406519 ZYFANMSAWXPDNA-UHFFFAOYSA-N 301.224 1.478 0 40 DDAB CC(C)CC[C@]1(CCO)C(=O)N=C(Nc2ccccc2)NC1=O 2035556 YBUISMVAIRPIMC-UHFFFAOYSA-N 317.389 1.916 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCCOCC2)cc1 79808997 YWMGVAICUHSNDR-INIZCTEOSA-N 316.401 1.735 0 40 DDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CC1 61720789 AUMDESSGBURYOQ-ZDUSSCGKSA-N 316.405 1.185 0 40 DDAB Cc1cc2nnnn2c(NS(=O)(=O)c2ccccc2Cl)n1 23017387 RZTZKGGJOJPROK-UHFFFAOYSA-N 324.753 1.282 0 40 DDAB Cc1ccc2nc(Cn3nnc4ccccc4c3=O)cc(=O)n2c1 23191323 ADAZAVNQBBXVNY-UHFFFAOYSA-N 319.324 1.156 0 40 DDAB CCN(CC)C(=O)c1ccc(Nc2ccc3nnnn3n2)cc1 54448350 GMSCQJVLTOJTSQ-UHFFFAOYSA-N 311.349 1.745 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1 8076222 ARKXJPBBKHARAS-JTQLQIEISA-N 314.382 1.551 0 40 DDAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2S(C)(=O)=O)c1 100112446 SBAAUBGVNGZMFD-JMSVASOKSA-N 311.403 1.887 0 40 DDAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N(C)C)CC1 24610881 NQURHGCMTVIDPD-UHFFFAOYSA-N 324.446 1.625 0 40 DDAB C[C@@H](CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCCC1 55540211 BQJXHFLMYKPSQA-AWEZNQCLSA-N 313.405 1.729 0 40 DDAB COCc1nc(C(=O)N[C@H]2CCc3nc(C)cn3C2)cs1 72279129 KOZKHCIWWFRMQJ-JTQLQIEISA-N 306.391 1.539 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 106907344 JBHLTQHFKHWTOW-FPCVCCKLSA-N 302.422 1.609 0 40 DDAB CCN(CC)[C@H](C)CNC(=O)Nc1ccc(-n2cncn2)nc1 48132408 FDTVBRNDMDUPLW-GFCCVEGCSA-N 317.397 1.514 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccnc1 48236317 ONUZFUZQPWHULA-GXTWGEPZSA-N 313.357 1.901 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] 44311291 ADKWNVJJHQLNFK-BDAKNGLRSA-N 320.273 1.287 0 40 DDAB Cc1cnn([C@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)c1 108867996 NXLOZTITKPFBSD-AWEZNQCLSA-N 312.377 1.365 0 40 DDAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(Cc1nnnn1C1CC1)C2=O 12778543 VFLWGIYQFFXQEZ-NXEZZACHSA-N 318.381 1.255 0 40 DDAB CCN(C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 72274275 OFBKBTHISGSFKF-OAHLLOKOSA-N 318.421 1.038 0 40 DDAB CC(C)CN(CCN(C)C)C(=O)c1cnc2ccccn2c1=O 72230582 FXCWFRHDFLFDNB-UHFFFAOYSA-N 316.405 1.354 0 40 DDAB c1ccc2c(c1)nc(SCCN1CCCC1)n1nnnc21 58158962 IQINMAGZWLCUHJ-UHFFFAOYSA-N 300.391 1.860 0 40 DDAB C[C@H](SCc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 58295331 ZMQDQARVQUZJQA-ZFWWWQNUSA-N 308.447 1.755 0 40 DDAB C[C@H]1CN(C(=O)CCNC(=O)Cc2cccs2)C[C@H](C)O1 58282119 VCZBGWZMIUFACA-RYUDHWBXSA-N 310.419 1.433 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCCCNC2=O)on1 44968108 KATDPDYENQAFED-VXGBXAGGSA-N 306.366 1.498 0 40 DDAB CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@@H]2CCCN2C)c1 58325988 QOAKHHLDCRUTMF-HIFRSBDPSA-N 304.390 1.867 0 40 DDAB CC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C(=O)O)c1 37913985 RDEKTJGRWQERJF-JTQLQIEISA-N 313.375 1.957 0 40 DDAB CCc1noc(CCCC(=O)NCc2cn3ccccc3n2)n1 48350514 XLBNWRRRRXASBA-UHFFFAOYSA-N 313.361 1.919 0 40 DDAB C[C@H]1C[C@H](NCC2(S(C)(=O)=O)CCOCC2)CC[C@H]1C 97379731 UZMGLRZNSFUOOM-HZSPNIEDSA-N 303.468 1.995 0 40 DDAB COc1ccc2c(c1)NC(=O)[C@]21NC(=O)c2ccccc2N1C 58411745 QRCKVYOXWJXIDQ-KRWDZBQOSA-N 309.325 1.680 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc2c(c1)OCO2 48344844 VZDIZSRAYQDRPL-UHFFFAOYSA-N 300.318 1.225 0 40 DDAB CN(C)C(=O)COc1ncnc2ccc(Br)cc12 3452787 PBIYCDXWYAUKPK-UHFFFAOYSA-N 310.151 1.859 0 40 DDAB COc1ccc(CCNC(=O)CSc2nncs2)cc1 3413349 NOVMHLOCIFFYMS-UHFFFAOYSA-N 309.416 1.998 0 40 DDAB NC(=O)[C@@H](c1ccc(O)nn1)c1ccccc1Br 4002974 UFQARCXERCUYBU-LLVKDONJSA-N 308.135 1.562 0 40 DDAB CCCc1nnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)s1 4392569 GPNQZBVKDKBSBH-QMMMGPOBSA-N 303.409 1.254 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)N1CCCCCC1 5246335 PXFSNTZNKRTYRQ-UHFFFAOYSA-N 314.389 1.974 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCN(C)CC1 96014116 SYOKRXWDWKJOKY-QGZVFWFLSA-N 315.417 1.296 0 40 DDAB Cc1[nH]c2ncnc(NC(=O)c3nc4nccc(C)n4n3)c2c1C 96008840 YYXNYDUGMNQMIO-UHFFFAOYSA-N 322.332 1.573 0 40 DDAB C[C@@H](NC(=O)N(CCO)C1CC1)[C@H]1CCCN(C2CCC2)C1 96004697 VYIYFUJOHCZFBF-KGLIPLIRSA-N 309.454 1.806 0 40 DDAB C[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)c1nccs1 65613929 AGDCZLMCZIOZPG-JTQLQIEISA-N 321.377 1.818 0 40 DDAB O=C(CN1CCN(c2nccs2)CC1)Nc1cccnc1 65610891 VPGHVGVWQDYNKF-UHFFFAOYSA-N 303.391 1.299 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1C 4581836 IGWPLOXZRUSNEY-SECBINFHSA-N 304.302 1.742 0 40 DDAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccc(F)cc1 6590142 CWDMXMSJOFNZJD-UHFFFAOYSA-N 313.292 1.207 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc2ccccc2n1 84678488 VJJBHYNAIROMTA-VXGBXAGGSA-N 318.398 1.882 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCn2cncn2)C1 84636465 LSTKAHWSIVAWBZ-ZIAGYGMSSA-N 323.441 1.903 0 40 DDAB CCC(=O)N1CCC[C@@H](C(=O)NC2(C(=O)O)CCCCC2)C1 84718281 UBTHRIKNQRJKGO-GFCCVEGCSA-N 310.394 1.539 0 40 DDAB N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 72227228 FSEBTVODJKBUJL-HUUCEWRRSA-N 300.289 1.970 0 40 DDAB CC(N[C@H](C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 5818035 HNGODQCYUANDHH-SNVBAGLBSA-N 301.346 1.662 0 40 DDAB COC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 95430165 QJUFMFFQCDOSBU-KGLIPLIRSA-N 318.417 1.701 0 40 DDAB CCNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 7778594 DYNVHTWRQVKYGO-AWEZNQCLSA-N 308.378 1.594 0 40 DDAB O=C(NCCCNC(=O)c1cc2ccccc2o1)c1cnccn1 7871495 HUACJIQHCMBCJR-UHFFFAOYSA-N 324.340 1.773 0 40 DDAB CC(C)(C)Oc1ccc(C[C@@H]2NC3(CNC2=O)COC3)cc1 306145374 CTENMSDMWPCBEH-AWEZNQCLSA-N 304.390 1.263 0 40 DDAB CC(=O)c1c(O)cc(C)n(-c2ccc3c(c2)OCCO3)c1=O 16769684 VRMYMTJYFQQEDW-UHFFFAOYSA-N 301.298 1.825 0 40 DDAB CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 95435562 YWESHJAOEFFGII-HUUCEWRRSA-N 318.421 1.728 0 40 DDAB COc1cccc(-c2cc(C(=O)O)n3ncc(C(=O)O)c3n2)c1 20605536 PCMQLGSPIWWKAG-UHFFFAOYSA-N 313.269 1.801 0 40 DDAB CCc1nnc2n1CCN(C(=O)CN(C)Cc1ccccc1)C2 69483811 LLOOOQXAQGSXHK-UHFFFAOYSA-N 313.405 1.315 0 40 DDAB Cc1nc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)sc1C 69600970 HWMLSWDXSKWSIE-GFCCVEGCSA-N 320.422 1.455 0 40 DDAB CCCn1nnnc1COC(=O)[C@H]1Cc2cc(Cl)ccc2O1 25109764 NUWXWWHJDTUNEI-GFCCVEGCSA-N 322.752 1.783 0 40 DDAB O=C(Cn1nnc2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1 8526491 IXONABDUQCLIGC-UHFFFAOYSA-N 323.356 1.878 0 40 DDAB Cc1cnn(C[C@H](C)N[C@@H](C)C(=O)NCCc2cccs2)c1 69778950 DMPYIHRSXATGBL-KBPBESRZSA-N 320.462 1.979 0 40 DDAB CCOc1ccnc(N2CCCN(Cc3cccn3C)CC2)n1 91959617 UZUOGJKKPNSONZ-UHFFFAOYSA-N 315.421 1.926 0 40 DDAB Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(=O)[nH]1 69815574 KFQULSJZZUFRIC-UHFFFAOYSA-N 319.748 1.996 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C)s2)CC1 69819932 NSKBICLNEGGOSQ-CYBMUJFWSA-N 312.435 1.212 0 40 DDAB CN(C)C(=O)c1ccc(NC(=O)CN2CCSCC2)cc1 69807641 KOFCYKNESMQRET-UHFFFAOYSA-N 307.419 1.376 0 40 DDAB CN1CCO[C@H](CNCc2cc(Cl)c3c(c2)OCCO3)C1 71857595 UGLBGFQZGQNMPF-GFCCVEGCSA-N 312.797 1.531 0 40 DDAB C[C@@H](CC(=O)NC1CCN(CC(N)=O)CC1)C1CCCCC1 69973628 XNBKHYRCOFPVKY-ZDUSSCGKSA-N 309.454 1.659 0 40 DDAB Cn1cc(CN2CCN(C[C@H](O)c3ccc(F)cc3)CC2)cn1 69902532 LERHUTJZFVYEJI-KRWDZBQOSA-N 318.396 1.410 0 40 DDAB O=C1CCc2cc(OCCNCCn3cccn3)ccc2N1 71879198 YUJQWBQWBBJLPK-UHFFFAOYSA-N 300.362 1.436 0 40 DDAB CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(=O)n(C)c1 71851747 QNKMRQMBWCLBGC-UHFFFAOYSA-N 319.449 1.969 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)CCC(=O)O)CC1=O 96595574 IYHIUUSHYJZJMG-JSGCOSHPSA-N 318.373 1.529 0 40 DDAB COc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cn1 83962602 BIFNOJPRFAXQEM-UHFFFAOYSA-N 313.361 1.597 0 40 DDAB O=C1NCCN(C(=O)c2cnns2)[C@@H]1c1ccccc1Cl 97086644 LTQOYQWRKFKDQM-LLVKDONJSA-N 322.777 1.505 0 40 DDAB CN1CCN(CCCN(C)C(=O)N[C@@H]2CCCSC2)CC1 95996608 OHBSUZYBWIWWSG-CQSZACIVSA-N 314.499 1.161 0 40 DDAB CC[C@](C)(NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)O 95969986 RECCKHXDFDJLBZ-HNNXBMFYSA-N 309.318 1.450 0 40 DDAB CCc1cc(=O)[nH]c(CN2CC[C@@H](Oc3cccnc3)C2)n1 95971059 UTLUCKRUCMWEOX-CQSZACIVSA-N 300.362 1.381 0 40 DDAB Cc1ccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(=O)[nH]1 75123971 AREJWQQQEKZGNO-CYBMUJFWSA-N 319.405 1.009 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(=O)[nH]1 75118657 HBVKJVWBGLNPIV-AWEZNQCLSA-N 311.385 1.940 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)[C@H]1SCCc2sccc21 89917312 RJAXDOQTBSNFOE-NSHDSACASA-N 310.444 1.816 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 89938056 ZLZQWVYARQTIRM-LLVKDONJSA-N 324.808 1.816 0 40 DDAB CCCc1ncc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)s1 76053021 YKBWTYGTERZWJK-CHWSQXEVSA-N 323.462 1.888 0 40 DDAB CC(=O)NCCCNC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110661507 MHOWAAOAQBZUSA-HRCADAONSA-N 322.453 1.028 0 40 DDAB CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1 1553441180 YNWOIPJXZVIION-RDJZCZTQSA-N 302.422 1.381 0 40 DDAB CCOC(=O)CN(C)C(=O)c1nn(-c2ccccc2)nc1C 3136236 XTTONDMATSNHFK-UHFFFAOYSA-N 302.334 1.211 0 40 DDAB biogenic COc1cc(C)ccc1OCCC(=O)N1CCOC[C@@H]1C(=O)O 521364103 CLXYMJSBBYBIFT-GFCCVEGCSA-N 323.345 1.085 0 40 DDAB O=C(c1cc(Sc2ncccn2)ccn1)N1CCOCC1 72243475 DLCCKARNRJLJFX-UHFFFAOYSA-N 302.359 1.495 0 40 DDAB COc1cccc(N2CCO[C@@H](C(=O)NC3(C)CCC3)C2)c1 72356802 TXNWQMHRINALEK-OAHLLOKOSA-N 304.390 1.959 0 40 DDAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 32125481 KAXCZSAKZGTKSB-MPTQWLOMSA-N 319.744 1.535 0 40 DDAB CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)CC2 33088774 KCILNYAMVCSYGF-UHFFFAOYSA-N 300.358 1.714 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCSC(F)(F)F)C[C@H](C)O1 36392744 NACHNUJGIQGPFW-YUMQZZPRSA-N 322.374 1.183 0 40 DDAB Cc1cn[nH]c1C1(C)CCN(S(=O)(=O)c2cccnc2)CC1 72388935 CIPUIXDWXAKJEL-UHFFFAOYSA-N 320.418 1.856 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377668 PLLRFDIQECRQRX-LLVKDONJSA-N 320.378 1.107 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 72400481 VNFXCDFLBWDROW-DRZSPHRISA-N 323.320 1.815 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccs1 78023963 XJRVEGAXABEXEL-COPLHBTASA-N 308.403 1.563 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1F 238920933 TVZYYQOVOQYGCS-BYCMXARLSA-N 309.337 1.901 0 40 DDAB Cn1ccc(CNC(=O)COc2cccc3c2NC(=O)CC3)n1 227150820 RXVUXKUIUHDPOX-UHFFFAOYSA-N 314.345 1.000 0 40 DDAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc(OCC(N)=O)c1 49547616 AXAPQRRTEINSIY-LLVKDONJSA-N 300.318 1.408 0 40 DDAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 85876866 RKNBNVSQAZEFPV-LLVKDONJSA-N 322.320 1.966 0 40 DDAB biogenic C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NCC2(N)CCC2)C1 572825408 FBTFTDGDXVWTAX-QPSCCSFWSA-N 309.454 1.839 0 40 DDAB CCc1noc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)n1 41122284 CCJUGSNMMLLKFY-CYBMUJFWSA-N 317.393 1.852 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc([S@](C)=O)n2)c1 95438978 CHPIVRLUGGODIO-LAJNKCICSA-N 309.391 1.072 0 40 DDAB C[C@@H]1COC2(CCN(C(=O)Cc3cn4ccsc4n3)CC2)O1 96414536 ACRZFBLACZRJKP-LLVKDONJSA-N 321.402 1.692 0 40 DDAB COc1cc(N2CC[C@@H](OC)[C@H]3CN(CC4CC4)C[C@H]32)ncn1 96219355 SYZFWQMIYJWMDZ-RRFJBIMHSA-N 318.421 1.421 0 40 DDAB C[C@H](NC(=O)[C@@H]1COCCO1)c1cccc(-n2cccn2)c1 96443790 OLAIGFGKMYJGRJ-WFASDCNBSA-N 301.346 1.465 0 40 DDAB COCCN1CCC2(CCN(CC3CCOCC3)CC2)C1=O 96046802 BSIMRSFUOMLEAA-UHFFFAOYSA-N 310.438 1.374 0 40 DDAB O=C1N(Cc2ccncc2)CC[C@]12CCCN(c1ncccn1)C2 96048670 IZNVOHOTZLPPDS-SFHVURJKSA-N 323.400 1.891 0 40 DDAB CCc1cnc(N2CC[C@H]3CN(CC4CC4)CCO[C@@H]3C2)nc1 96249657 AVWUFWAQKFEDGI-DLBZAZTESA-N 316.449 1.976 0 40 DDAB COC[C@H]1c2c(cnn2C)CCN1C(=O)Cc1cccs1 96197722 LNGZGRDGULRJGJ-ZDUSSCGKSA-N 305.403 1.797 0 40 DDAB Cn1cc(C[C@H]2[C@H](O)CCN2C(=O)NCc2ccccc2)cn1 96200186 MSPHCNAVIYTMLE-JKSUJKDBSA-N 314.389 1.308 0 40 DDAB CN(C)CCOC[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1 96249926 XPSJVVLFIAESIP-NJAFHUGGSA-N 319.449 1.639 0 40 DDAB O=C([C@H]1CN(Cc2ccoc2)C[C@H]2OCC[C@H]21)N1CCCO1 96041194 XOIMZOCETUYWEP-SOUVJXGZSA-N 306.362 1.280 0 40 DDAB CN(Cc1cn2c(n1)CN(c1ncccn1)CC2)Cc1ccco1 96197472 NLPVSEXVHSSFIY-UHFFFAOYSA-N 324.388 1.918 0 40 DDAB COCCNC(=O)[C@@H]1CN(Cc2ccsc2)Cc2cncn21 247915773 ZIFJKNYKAXVPEC-AWEZNQCLSA-N 320.418 1.264 0 40 DDAB CCOc1nccn2c(CNC(=O)c3cc(C)cs3)nnc12 244986115 JGQFQOFNNTWAJE-UHFFFAOYSA-N 317.374 1.823 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnn(C)c2)[C@H](c2ccccc2)C1 257246656 IVDDRJXUEIRLKK-INIZCTEOSA-N 312.373 1.466 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2cc[nH]c2C2CC2)C[C@H]1C 252500599 SYUJREPUDRFHCJ-GFCCVEGCSA-N 319.405 1.602 0 40 DDAB COc1nc(OC)nc(N2CCC[C@@H](Cc3ccccn3)C2)n1 257229775 FZLDUPPHEPGXHE-LBPRGKRZSA-N 315.377 1.743 0 40 DDAB CCCC(=O)N1CC2(CC[C@H](CN3CCCCC3=O)CO2)C1 575406030 VNSVRAULWPCEKH-CQSZACIVSA-N 308.422 1.807 0 40 DDAB O=C(c1cnccn1)N1CC[C@H](Oc2ccncc2Cl)C1 575604839 BZMAWBZTIJZUQZ-JTQLQIEISA-N 304.737 1.819 0 40 DDAB CCOC(=O)c1nc(=NCCc2cccc(OC)n2)cc[nH]1 585142251 RQUNCMPTRBRPHD-UHFFFAOYSA-N 302.334 1.133 0 40 DDAB CO[C@@H]1CCN(Cc2ccccn2)C[C@H]1CC(=O)N1CCCC1 585275125 XPBVCUDINBAATG-NVXWUHKLSA-N 317.433 1.931 0 40 DDAB COC(=O)C(=O)CC(=O)c1cc(Br)ccc1O 585152400 ZQBRRGVZQPMREG-UHFFFAOYSA-N 301.092 1.470 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2ccc3ccccc3n2)[C@@H]1O 585287291 WXXXBSMSLBTHGH-XYPHTWIQSA-N 302.374 1.347 0 40 DDAB N[C@H]1CN(C(=O)NCc2noc3ccc(F)cc23)CC12CCC2 1553514183 OCYDLGVJEMRNMY-AWEZNQCLSA-N 318.352 1.990 0 40 DDAB COc1cc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc(OC)c1C 69817972 JKSSUMLAZSJJFJ-UHFFFAOYSA-N 318.333 1.395 0 40 DDAB CC[C@@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC 69928437 JTUFEKFVJMGWDF-QGZVFWFLSA-N 311.470 1.288 0 40 DDAB CCCN(CC(=O)NC)S(=O)(=O)C1=Cc2ccccc2CC1 55295561 IPBAGSVBNRNMMZ-UHFFFAOYSA-N 322.430 1.762 0 40 DDAB CN(C)[C@@H](CNC(=O)NCC[S@](C)=O)c1cccs1 89312261 SXZQHACIUSKWHT-APBUJDDRSA-N 303.453 1.029 0 40 DDAB COC(=O)c1cc(C(=O)OC)n(CCCOc2ccccc2)n1 95452301 YXPPUQDCYMPTPL-UHFFFAOYSA-N 318.329 1.925 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 96119985 GEOXFAPEZGBCGK-LBPRGKRZSA-N 316.810 1.669 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3cn[nH]c3)CC2)no1 97203022 YKZJBJHHZAJESO-LLVKDONJSA-N 303.366 1.913 0 40 DDAB COCCN1CCC(NC(=O)c2ccc(OC)cc2OC)CC1 85467911 DFZGHHDREKHXLF-UHFFFAOYSA-N 322.405 1.544 0 40 DDAB Cc1cccn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1=O 103136568 LCASJCLOPMHZGE-LBPRGKRZSA-N 314.341 1.763 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cccnc1 12666987 BJFCENRZBJDDSB-GFCCVEGCSA-N 316.386 1.300 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)c(F)c1 13957700 AZYMQIRGHTVSOW-MELADBBJSA-N 323.343 1.693 0 40 DDAB Cc1nn2c(=O)cc(COC(=O)c3cccc(F)c3)nc2s1 15733965 BPVFMYCXGUONCV-UHFFFAOYSA-N 319.317 1.956 0 40 DDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16681665 PCTLXPWMSRMKOQ-UHFFFAOYSA-N 320.798 1.105 0 40 DDAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc(F)cc1 17055208 QHCMKZIIPYXJDV-DZGCQCFKSA-N 320.364 1.695 0 40 DDAB Cc1cc(C[C@@H](N)C(=O)O)cc(I)c1O 17353379 PSMHBIGEJVXVAU-MRVPVSSYSA-N 321.114 1.260 0 40 DDAB O=C(c1ccccn1)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19400246 NOCSOQPSPBFVIA-OAHLLOKOSA-N 323.400 1.885 0 40 DDAB Cn1nccc1CN1CCO[C@H](C(=O)N2CCCCCC2)C1 19747171 SSBYIQUAAPWDBU-HNNXBMFYSA-N 306.410 1.024 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCCC2)c(OC)c1 3422882 GANSQURHNOJSGJ-SOFGYWHQSA-N 319.357 1.883 0 40 DDAB CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 154752917 MTBDPGKDDUFKSN-UHFFFAOYSA-N 318.299 1.059 0 40 DDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1OC 6848130 ADUOAIBOPUWDDZ-SECBINFHSA-N 301.364 1.860 0 40 DDAB NC(=O)[C@H]1CCCN1c1ncc(Br)cc1Cl 236181386 NCWXZIYGJSNSDO-MRVPVSSYSA-N 304.575 1.952 0 40 DDAB CCN(CC)C[C@@H]1OC[C@H]2CN(C(=O)c3cc[nH]c3)CC[C@H]21 1565546809 DVQYVTMCLLQISW-OAGGEKHMSA-N 305.422 1.834 0 40 DDAB Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@H]2c1cccc(F)c1 4728106 VASLUCKVQDOJHE-JTQLQIEISA-N 313.292 1.041 0 40 DDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CC3)cc21 5252474 PDNUHPGNHNGLSA-UHFFFAOYSA-N 301.346 1.203 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=S)Nc2ccc3c(c2)OCO3)C1 15080525 FBJUOMRHXSIUAJ-GFCCVEGCSA-N 321.402 1.713 0 40 DDAB CO[C@@H](CCSC)CNC(=O)C(=O)Nc1cccc(F)c1 1775967880 FMXCTYXSVWCDOL-LBPRGKRZSA-N 314.382 1.649 0 40 DDAB COc1ccc(C(=O)N[C@H](Cn2cncn2)C(C)C)cc1F 575618097 ZFUNWLKNNKIDJP-CYBMUJFWSA-N 306.341 1.880 0 40 DDAB O=C(NC(=S)NCCCN1CCOCC1)c1cccs1 20149984 VLFLZRINMDYCTQ-UHFFFAOYSA-N 313.448 1.075 0 40 DDAB CCOC(=O)[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 31254327 PMAOSKAECJRMSU-AWEZNQCLSA-N 315.373 1.841 0 40 DDAB CSCCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 40473974 WQSZWVUROOBQOX-UHFFFAOYSA-N 318.446 1.732 0 40 DDAB CN(C(=O)Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 40487762 JOVTUJDIVHAVFV-AWEZNQCLSA-N 318.398 1.423 0 40 DDAB COC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 100885870 DOEYEWKFJDCWRZ-ADAWSYLGSA-N 313.353 1.184 0 40 DDAB O=C(N[C@H]1CCc2ccccc21)N1CCN(c2ncccn2)CC1 40501122 MKNVATRXNAWVKV-INIZCTEOSA-N 323.400 1.996 0 40 DDAB O=C(CNC(=O)NCCc1ccccc1)NCC(F)(F)F 40554989 RQDOWSQHXTVBCJ-UHFFFAOYSA-N 303.284 1.207 0 40 DDAB CC(C)CN(CC(N)=O)CC(=O)N1CCC[C@H]1c1cccs1 40511251 FISSGFULHSSGBZ-ZDUSSCGKSA-N 323.462 1.855 0 40 DDAB COc1ccc(Br)cc1CN(C)S(C)(=O)=O 32811029 RXVHJRRNVGGFLH-UHFFFAOYSA-N 308.197 1.849 0 40 DDAB NC(=O)[C@H]1CCN(CCC(=O)Nc2ccnn2C2CCCC2)C1 52960948 KBJIZIJRRGGUQD-LBPRGKRZSA-N 319.409 1.134 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cn(-c2ccccc2)nn1 33213608 XEXVAPKLBYNTFF-CQSZACIVSA-N 313.361 1.008 0 40 DDAB CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CC=CCC2)c1 76309128 UELUTFFMASJZPG-CYBMUJFWSA-N 308.403 1.775 0 40 DDAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccco1 560599 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COCc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 7940936 TWQOYPXTTHDRBM-UHFFFAOYSA-N 320.370 1.733 0 40 DDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc2[nH]nnc2c1 43283035 PSWTYSBFPUWQBS-LBPRGKRZSA-N 312.333 1.586 0 40 DDAB Cc1ccc(N2CC[C@H](C(=O)N3CCSCC3)C2=O)cc1 56013035 GAWQTEXGYGGOFH-CQSZACIVSA-N 304.415 1.923 0 40 DDAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCCC[C@@H]1C(N)=O 48277969 VCNHXGJLXSRBIM-XJKSGUPXSA-N 315.417 1.694 0 40 DDAB O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCCCCC1 44896666 JFARJGAVEALFLK-UHFFFAOYSA-N 324.812 1.983 0 40 DDAB COc1ccc(-c2cnc(CNC[C@H]3CN(C)CCO3)o2)cc1 71879290 XHLLOPLAIHZWCO-HNNXBMFYSA-N 317.389 1.770 0 40 DDAB Cc1cccc(-c2noc(Cn3cnnc3[S@@](C)=O)n2)c1 71804156 XIIDOJYBHNDBNU-NRFANRHFSA-N 303.347 1.422 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)c(F)c1F 44936026 LLUOSQWYLCKNBB-MRVPVSSYSA-N 319.308 1.667 0 40 DDAB COc1ccc(CNC(=O)NCC2(N(C)C)CCCC2)cn1 44949486 KQLOVTLSRISYLT-UHFFFAOYSA-N 306.410 1.764 0 40 DDAB CN(C)[C@H](CNC(=O)N[C@@H]1CCN2CCCC[C@H]12)c1ccco1 44966380 RGSKOWXIPUQQIS-RBSFLKMASA-N 320.437 1.808 0 40 DDAB C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)[C@@H]1CCCO1 27869939 PZFAAWODGDSZBJ-FZMZJTMJSA-N 301.346 1.080 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)N1CCN(Cc2cscn2)CC1 58309345 SNCNMDDRFKQDKG-ZDUSSCGKSA-N 324.494 1.954 0 40 DDAB CN(C)C(=O)CCNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58332694 RHCGDYWNVJXNIQ-UHFFFAOYSA-N 319.405 1.423 0 40 DDAB Cc1nccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 58378314 WEVQFYYCGZTSGY-MRXNPFEDSA-N 324.384 1.879 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCCn2cncn2)cc1 58381311 JFWHOXRMQHXZRS-SMDDNHRTSA-N 314.345 1.730 0 40 DDAB O=C(O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3300761 ZJCIKUPEPGZMTP-UHFFFAOYSA-N 317.672 1.722 0 40 DDAB CCn1c(SCc2ncnn2C)nc2ccsc2c1=O 71922137 MDHOKCOLYCQVFL-UHFFFAOYSA-N 307.404 1.899 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 10681294 USKFVXSPGUVRRS-SECBINFHSA-N 320.208 1.859 0 40 DDAB COC[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 28277207 QSQMGJJCURHUSY-SBKJXLNCSA-N 302.374 1.743 0 40 DDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1F 23142076 NBFMCUOOMUNSMA-UHFFFAOYSA-N 319.336 1.401 0 40 DDAB COC(=O)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 29090041 GRHUNLKREAAAOM-UHFFFAOYSA-N 302.374 1.830 0 40 DDAB C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)Cn1cccn1 11654636 ROUSFEUNYDOCGW-CYBMUJFWSA-N 313.357 1.794 0 40 DDAB Cc1ccoc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 46050461 ODIAPBUHWVXUNW-ZIAGYGMSSA-N 308.378 1.055 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)N3CCOC[C@@H]3C)CC2=O)c1C 46258526 DKHLIOQEXASLSA-DZGCQCFKSA-N 316.401 1.904 0 40 DDAB COc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 2646361 VAZDIARXBPMGAP-UHFFFAOYSA-N 320.370 1.273 0 40 DDAB COC(=O)c1ccc(COC(=O)[C@H]2COc3ccccc3O2)o1 2641230 PAUZJTCQUFAKHR-CQSZACIVSA-N 318.281 1.949 0 40 DDAB CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 65439813 XFIHICDXKRVSBO-OAHLLOKOSA-N 305.403 1.491 0 40 DDAB Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n(-c2ccccn2)n1 71281492 MDIOIPVYVXCQTM-QWHCGFSZSA-N 314.345 1.871 0 40 DDAB C[C@H]1CN(CC2CCN([C@@H](C)C(=O)NC3CC3)CC2)C[C@@H](C)O1 65610040 XMDUQYUZWNVHBN-ZNMIVQPWSA-N 323.481 1.475 0 40 DDAB CCONC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9113320 KYTGWLYENYNJIZ-UHFFFAOYSA-N 324.358 1.439 0 40 DDAB Cc1c(O)ccc2c(CN(C)CC(=O)N(C)C)cc(=O)oc12 19537798 NZSQNTRBDWHBIB-UHFFFAOYSA-N 304.346 1.327 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)[C@H]2CC=CCC2)c(=O)[nH]c1=O 14655840 BFWLZGYCXKLLPA-NSHDSACASA-N 320.393 1.238 0 40 DDAB C/C(Cl)=C\Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 4730657 PCVMJOSYABBQJS-XVNBXDOJSA-N 312.782 1.145 0 40 DDAB CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 408761753 LFKJLNAONCAJPJ-VWPFQQQWSA-N 313.309 1.445 0 40 DDAB COC(=O)[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1O 91303002 PYNCMPUDZHHRNB-NWDGAFQWSA-N 313.394 1.948 0 40 DDAB in-vitro CC(=O)N[C@@](C)(C(=O)N1CCC[C@H]1Cn1cccn1)C1CC1 70006689 HWJWAEJPUBSBGO-GOEBONIOSA-N 304.394 1.179 0 40 DDAB Cc1cc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)no1 69322958 PWIMELYACCGZMU-JQWIXIFHSA-N 308.382 1.572 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)c1 69456740 DKWNMHXVCUHTQY-NSHDSACASA-N 318.402 1.829 0 40 DDAB Cc1ccnc(NC(=O)CN(C)CC(=O)N2CCCC[C@H]2C)c1 69582642 ZNJWILHAXVBIEZ-CQSZACIVSA-N 318.421 1.661 0 40 DDAB O=C(CCN1CCc2cncnc2C1)N1CCc2ccccc21 69557588 MIRFAQLXFSKLGQ-UHFFFAOYSA-N 308.385 1.814 0 40 DDAB CCOCCN1CCN(Cc2csc(NC(C)=O)n2)CC1 69655525 OBLUOUHXPXBSJE-UHFFFAOYSA-N 312.439 1.256 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCCCc1nc2c(s1)CCCC2 69774480 MSUMIKLSHRDLIX-VIFPVBQESA-N 310.423 1.128 0 40 DDAB COC(=O)[C@](C)(NC(=O)[C@H]1CCOC1)c1cc(F)ccc1F 69702516 CZCGDLDEOGBOLI-BJOHPYRUSA-N 313.300 1.506 0 40 DDAB Cn1nnc2cc(C(=O)N3CCC4(CCCO4)CC3)cnc21 71746478 VMLUMZNLHJSNQD-UHFFFAOYSA-N 301.350 1.149 0 40 DDAB C[C@@H](O)C1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 97083190 MOIKRRWYENCDLL-LLVKDONJSA-N 308.353 1.175 0 40 DDAB Cn1nc2c(cc1=O)CN(C(=O)CCCSC(C)(C)C)CC2 97021228 CQHJTCTXLCNNNC-UHFFFAOYSA-N 323.462 1.977 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)CCn3cncn3)C2)no1 72232359 DIYGEXULMRXIDR-GFCCVEGCSA-N 318.381 1.581 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](c2ccn[nH]2)C1 72282823 LQJQWBQUZSGOTH-WBMJQRKESA-N 313.357 1.956 0 40 DDAB COc1cc(C)c([S@@](=O)Cc2nnc(C)n2C)cc1OC 97164046 YHUZWBYGJABGCU-OAQYLSRUSA-N 309.391 1.757 0 40 DDAB Cc1ccc(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 72928955 IWMRGNBBZASZFA-UHFFFAOYSA-N 312.373 1.357 0 40 DDAB CCN1C[C@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1=O 84779912 KTDSAIWMSYJNRF-NEPJUHHUSA-N 318.377 1.479 0 40 DDAB CN(C[C@@H]1CCCO1)c1nccnc1N(C)C[C@@H]1CCCO1 95944304 KZDRMPYFDVWTFD-KBPBESRZSA-N 306.410 1.707 0 40 DDAB CO[C@@H](C)C(=O)Nc1ncc(F)cc1I 95991355 AGJYXVWZHHSAPO-YFKPBYRVSA-N 324.093 1.799 0 40 DDAB COc1ccccc1C(=O)N1CCC(Cn2ccnn2)CC1 89471618 LSGSJSRLZRSUEB-UHFFFAOYSA-N 300.362 1.839 0 40 DDAB Cn1nccc1C(=O)N[C@@H](Cc1ccccc1)Cc1c[nH]cn1 89741104 JDBRHSIENLISOT-AWEZNQCLSA-N 309.373 1.727 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccncc2Cl)CC1 75715118 WOOYAGGBWNYARX-CYBMUJFWSA-N 324.856 1.766 0 40 DDAB Cc1c(Br)cccc1C(=O)N[C@@H](C(N)=O)C(C)C 76065987 TUHPZBKOUPELIC-LLVKDONJSA-N 313.195 1.997 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 22135008 XSIXPVDIIIVOSI-LSDHHAIUSA-N 322.430 1.678 0 40 DDAB C[C@@H](c1cccnc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 4342888 YJVLFNZBZUJYKU-ONCMJBGHSA-N 300.314 1.009 0 40 DDAB Cc1cnc(NC(=O)C(=O)N2CCC[C@H](c3cn[nH]c3)C2)s1 123796048 QYVPGCSKJGTCAZ-JTQLQIEISA-N 319.390 1.519 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1Cl 30553842 ZIYYOMISYQSUFI-GFCCVEGCSA-N 316.810 1.380 0 40 DDAB COC(=O)c1nn(C(F)F)cc1I 408715939 GZJACOSBOATUOE-UHFFFAOYSA-N 302.018 1.669 0 40 DDAB CC(C)Cn1cnc(S(=O)(=O)NC2(CC(=O)O)CCC2)c1 516968283 NNPHNUDFBDMXJO-UHFFFAOYSA-N 315.395 1.215 0 40 DDAB COc1c(NC(=O)c2cnn(-c3ccccc3)n2)c(C)nn1C 79358302 QVZRKDCLZAISGI-UHFFFAOYSA-N 312.333 1.570 0 40 DDAB CCOC(=O)C[C@@H](c1ccncc1)c1oc(CO)cc(=O)c1O 78549323 JNMBENFTGXXDBS-LBPRGKRZSA-N 319.313 1.318 0 40 DDAB Cc1cc(C(=O)NCCCN(C)C)nc(N2CCCCCC2)n1 72241491 BPSSGGINCGIKKM-UHFFFAOYSA-N 319.453 1.847 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cnn(C)c3)C2)n1 79489520 JQKMJWIGCNGBII-CYBMUJFWSA-N 314.393 1.682 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](C)(O)C1CC1 61976690 XFQGCXSADPEXAZ-OAHLLOKOSA-N 310.781 1.864 0 40 DDAB O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCOCC1 181225331 PVCLQBPVAUJCFR-RDJZCZTQSA-N 318.417 1.603 0 40 DDAB O=C(Nc1ccon1)C1CN(C(=O)COc2ccccc2F)C1 70814891 FXHWRPIBKQSVNC-UHFFFAOYSA-N 319.292 1.290 0 40 DDAB Cc1ccccc1OCC(=O)N1CC2(COC(C)(C)OC2)C1 70971700 FPGBAUPOSZXWID-UHFFFAOYSA-N 305.374 1.985 0 40 DDAB Nc1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762121 URYZWWIYVLWESQ-CQSZACIVSA-N 311.345 1.326 0 40 DDAB CN1CCC(C(=O)NCc2cccc(N3CCCC3=O)c2)CC1 72954757 UVWMXDKHZALVEM-UHFFFAOYSA-N 315.417 1.771 0 40 DDAB CCOc1ccc(C(=O)NCc2ccnc(N(C)C)n2)cc1 224235079 REVGCILKQXFUMD-UHFFFAOYSA-N 300.362 1.871 0 40 DDAB O=C(O)[C@@H]1CC12CCN(C(=O)c1cc(-c3ccoc3)[nH]n1)CC2 531743644 UKMSPEUQVVQDIM-NSHDSACASA-N 315.329 1.997 0 40 DDAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225791021 BXAVNXVDXRXTPD-JJXSEGSLSA-N 313.353 1.928 0 40 DDAB COc1ccc(Cl)cc1-n1nc(C(C)=O)cc(C(=O)O)c1=O 225966692 XJDCKHHOLXJQGX-UHFFFAOYSA-N 322.704 1.795 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C=O)cn2)cc1 49468312 RASXVWOEZSXDKD-UHFFFAOYSA-N 305.359 1.418 0 40 DDAB C[C@H](CN1CCCCCC1)Nc1cc(N2CCOCC2)ncn1 225487151 CNLKVEIIZLSFGA-OAHLLOKOSA-N 319.453 1.990 0 40 DDAB C[C@H]1CCCCN1C(=O)CCNC(=O)CC1(O)CCCCC1 81316513 BKJLHZMUXVWTFL-AWEZNQCLSA-N 310.438 1.979 0 40 DDAB CC(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145356 UVHWWAHNLOAXEK-HZPDHXFCSA-N 322.430 1.459 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1)N1CCCO1 96041260 ULHDQOKVJDCEPB-NWANDNLSSA-N 306.362 1.423 0 40 DDAB CC(C)(CNC1CCN(c2nccs2)CC1)S(C)(=O)=O 90217360 FQOFAKJMHGMRAA-UHFFFAOYSA-N 317.480 1.525 0 40 DDAB CN1CC[C@@H](N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1=O 96424539 PRKLBVCMERDQHU-SNVBAGLBSA-N 316.327 1.839 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cn1 96229669 UMWZVKXQGTYVKO-INIZCTEOSA-N 302.378 1.402 0 40 DDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 96072637 YDBQQEIMGZHBSM-SJLPKXTDSA-N 324.384 1.962 0 40 DDAB Cc1nnc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 330173867 HTNUHSDSFSQCJM-MFKMUULPSA-N 323.299 1.533 0 40 DDAB c1ccc(OCCN2CCOCC2)c(CN[C@@H]2CCSC2)c1 96476743 SIGQJAIJGVMDIY-MRXNPFEDSA-N 322.474 1.993 0 40 DDAB O=C([C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCCO1 97953650 DQDDEVGPXKWQSD-SOUVJXGZSA-N 322.430 1.749 0 40 DDAB CC(C)CN1CCO[C@H]2CCN(C(=O)c3csnn3)CC[C@H]21 248272012 ZVPMVFAQJZGERK-KGLIPLIRSA-N 324.450 1.500 0 40 DDAB CO[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@]12CCCO2 257204512 AUYKAMBIPUKHNS-KBPBESRZSA-N 315.366 1.394 0 40 DDAB NC(=O)CN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 257321917 WDVJEVBQEJJOJQ-ILXRZTDVSA-N 319.380 1.485 0 40 DDAB CCCn1cc(CN2CCO[C@@H](c3nccnc3NC)C2)cn1 257266544 MDLFITPRRJFJAO-CQSZACIVSA-N 316.409 1.698 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](c2cnccn2)C1 257204696 AVXWRPZRZQTKGN-CQSZACIVSA-N 309.329 1.567 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257210899 BWPPCGQFSHPOJF-HOCLYGCPSA-N 309.337 1.347 0 40 DDAB O=C(O)c1cccnc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 634963875 GWDMXRXMCWSANR-ZIAGYGMSSA-N 300.314 1.408 0 40 DDAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1ccnc(C2CC2)n1 655598947 OJXNPLLHRUJEQV-ZDUSSCGKSA-N 312.329 1.175 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)C1CCC1)CC2 585096606 VUVPIQAMPJZMNF-LLVKDONJSA-N 304.394 1.725 0 40 DDAB COC(=O)CCNC(=O)C(C)(C)n1cc(Br)cn1 69508318 LVVFOLKPBRUVED-UHFFFAOYSA-N 318.171 1.060 0 40 DDAB CC(C)(O)CN1CCN(C(=O)Cc2ccccc2Cl)CC1 69656390 PVHOJPOFPJQVGR-UHFFFAOYSA-N 310.825 1.798 0 40 DDAB C[C@@H](NC(=O)Nc1nncs1)c1ccc2c(c1)NC(=O)CO2 43127839 MNTSQRYIRUJBTR-SSDOTTSWSA-N 319.346 1.752 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCN(C[C@@H]2CC2(Cl)Cl)CC1 44895190 PKULGQVJWYXYOW-MNOVXSKESA-N 320.264 1.465 0 40 DDAB CCn1cnnc1CNC(=O)c1ccc(N2CCCC2=O)cc1 44943819 NJKIMEZUCIOOIU-UHFFFAOYSA-N 313.361 1.355 0 40 DDAB CSc1ncc(Cl)c(C(=O)NCCNc2ncccn2)n1 47104253 WQGUEATVGCDKTE-UHFFFAOYSA-N 324.797 1.484 0 40 DDAB CC(=O)N1CCCN(C(=O)Cc2noc3ccccc23)CC1 55199021 WWIONRXHCXHUHY-UHFFFAOYSA-N 301.346 1.451 0 40 DDAB C[C@@H]1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1 53534087 HBFVFLJQMHTZEN-SECBINFHSA-N 314.338 1.027 0 40 DDAB COc1ccc(CNC(=O)N[C@H]2CCC[C@H](O)C2)cc1OC 75156850 LLZHQXRRTRMANZ-STQMWFEESA-N 308.378 1.807 0 40 DDAB CN(C)CCN(CCN(C)C)C(=O)Nc1ccc(N(C)C)nc1 95946254 YVPJRLGNGYDHRT-UHFFFAOYSA-N 322.457 1.105 0 40 DDAB O=C(NC[C@]1(O)CCSC1)c1cncc(Br)c1 81998925 AZSUKAJXMLVRTP-LLVKDONJSA-N 317.208 1.442 0 40 DDAB O=C(c1ccccn1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 19399966 BYCJTZJATOAEEY-LLVKDONJSA-N 308.345 1.768 0 40 DDAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CC(=O)OC2(C)C)cc1 19456695 QRTYECMJBPMUOW-FZMZJTMJSA-N 321.373 1.920 0 40 DDAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCOCC1 19460783 SVTNZVZWTDZKDD-HDMKZQKVSA-N 323.481 1.239 0 40 DDAB CC(C)OCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 19746182 RBNQYOSLUJUIIF-UHFFFAOYSA-N 308.382 1.305 0 40 DDAB CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 616631574 CLEYUZYSMOVCMJ-LLVKDONJSA-N 315.414 1.720 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@]1(O)CCCc2sccc21 1889091595 LARRNJUQODVLKX-HNNXBMFYSA-N 321.402 1.444 0 40 DDAB CN1C[C@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]2OCC1=O 2037983755 DSFDQTLFOBELDV-WFASDCNBSA-N 310.344 1.644 0 40 DDAB Cc1nc2sc([C@H](c3ccco3)N3CCOCC3)c(O)n2n1 4111869 AVSQPCDYTBQJQM-NSHDSACASA-N 320.374 1.819 0 40 DDAB O=C(NCCc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 5250951 FDHYYQPAYBZDNB-UHFFFAOYSA-N 302.286 1.306 0 40 DDAB CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CCN(C(C)C)C2 2055796162 HLHNKGWIKYMOHQ-QGZVFWFLSA-N 309.454 1.434 0 40 DDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccsc1 575617844 XHXNXGODYSBZSG-NSHDSACASA-N 314.374 1.195 0 40 DDAB Cc1ccc(NCCNC(=O)[C@H](C)Oc2ccccc2)nn1 42380665 YGELSJSXIGFIFR-ZDUSSCGKSA-N 300.362 1.781 0 40 DDAB C[C@H](O)CN(C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)[C@H](C)CO 249068118 JCZYWUYVVWDWRV-PWGAFSCYSA-N 318.417 1.346 0 40 DDAB CC1(C)OC(=O)C([C@H](c2ccccc2)[C@H](C#N)C(N)=O)=C(O)O1 34889 YGVPQBXRLKSZQR-WDEREUQCSA-N 316.313 1.474 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NC(C)C)C2=O)cc1 20168810 KMEOUBCBKUSENQ-ZDUSSCGKSA-N 304.346 1.493 0 40 DDAB COc1cc(NC(=O)COc2c(C)occc2=O)cc(OC)c1 40284334 VTGMSIGNXAFUMB-UHFFFAOYSA-N 319.313 1.983 0 40 DDAB COc1ccc(CCC(=O)NCC(C)(C)N2CCOCC2)cc1 40459623 XTXNZBFVQBYRFV-UHFFFAOYSA-N 320.433 1.855 0 40 DDAB NC(=O)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 40485537 QWGWAHKSILWYCQ-RYUDHWBXSA-N 319.390 1.171 0 40 DDAB CC(=O)Cn1cnc2c(nnn2Cc2ccccc2Cl)c1=O 156116 KEWGPNCSJJXQHK-UHFFFAOYSA-N 317.736 1.279 0 40 DDAB O=C1CN(C(=O)c2cccc(OCc3cccs3)c2)CCN1 40513998 BQPLLMNJVUMLAR-UHFFFAOYSA-N 316.382 1.899 0 40 DDAB O=C(NCCNc1ncccn1)c1cc(Cl)c2c(c1)OCO2 40535571 KEXHQAQOHGHTRO-UHFFFAOYSA-N 320.736 1.701 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(C)cc2)C1 20572525 ATKLLWCKTCJWQX-UHFFFAOYSA-N 300.362 1.429 0 40 DDAB O=C(O)C[C@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@@H]3CC(=O)O 277961 IUKYJNCDSUILBM-NXEZZACHSA-N 306.226 1.059 0 40 DDAB biogenic Cn1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)n1 32778108 OUHAWVSJLZOREG-AWEZNQCLSA-N 312.373 1.450 0 40 DDAB CCOc1ncccc1C(=O)O[C@@H](C(N)=O)c1ccccc1 32869125 GBBGNYPVUNVWJF-CYBMUJFWSA-N 300.314 1.864 0 40 DDAB Cc1nccn1-c1ncccc1CNC(=O)c1ccc(=O)[nH]c1 53181575 OIAMXEGXBCGICY-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB CCOC(=O)C1C[C@@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C2=O 64920 NYBHVJOTWLYSNE-HUUCEWRRSA-N 315.369 1.917 0 40 DDAB Cc1ccc(N2CCC[C@H](NCc3nnc(C4CC4)o3)C2)nn1 69820132 DWJMQZZDVRKQFL-ZDUSSCGKSA-N 314.393 1.804 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CCCO1 47244513 LCZDFJDMFREXRS-SNVBAGLBSA-N 304.375 1.817 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CN2CCC[C@@H]2CO1 84452496 OTYVDVJFAVFVSZ-CVEARBPZSA-N 316.401 1.143 0 40 DDAB O=C(COC(=O)c1cccc(O)c1)NC(=O)NC1CCCCC1 3517337 JQNREEBPBVTZHF-UHFFFAOYSA-N 320.345 1.708 0 40 DDAB COc1ccccc1CC(=O)NS(=O)(=O)c1c(C)noc1C 42290435 UFLRIZGFMUSOSE-UHFFFAOYSA-N 324.358 1.348 0 40 DDAB O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890154 UEFNGIUZMYKNKD-UHFFFAOYSA-N 308.403 1.366 0 40 DDAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(N)=O 7089169 MOGYADBKJCWQNB-OIBJUYFYSA-N 307.331 1.548 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@@H]1C(N)=O 7687141 XSDSXSBQTGZRSX-LLVKDONJSA-N 312.391 1.032 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)CCCNC(=O)c1ccco1 42512523 GMGVPQCVQRQVGC-LBPRGKRZSA-N 304.350 1.191 0 40 DDAB CCOc1ccc(-n2ncc(C(=O)N3CCCC3)c2C)nn1 55275273 WGQGZXXVUGLQAA-UHFFFAOYSA-N 301.350 1.605 0 40 DDAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccccc2)n1 9140163 ORXRJFBWIRCBIB-UHFFFAOYSA-N 304.379 1.456 0 40 DDAB COCCNS(=O)(=O)c1cc(Br)c(C)cc1C 48044571 YDEAAJUMTKFMEW-UHFFFAOYSA-N 322.224 1.991 0 40 DDAB CSc1cccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 9670690 JPQQVLMAPQDLLM-UHFFFAOYSA-N 322.415 1.805 0 40 DDAB CONC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12630671 XPECWUWGEWSMOY-UHFFFAOYSA-N 324.333 1.918 0 40 DDAB Cc1cccc(NC(=O)CCNC(=O)COc2ccccc2)n1 58168310 IAJIHVQWDLMAFU-UHFFFAOYSA-N 313.357 1.914 0 40 DDAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1 44892798 HIDOIONWXDWOLH-VIFPVBQESA-N 304.268 1.114 0 40 DDAB CN(C[C@H]1CCCN1C(=O)CNC(=O)C1CC1)c1ccccc1 58265952 LQBBGAFRSFLXRI-MRXNPFEDSA-N 315.417 1.640 0 40 DDAB C[C@@H]1COCCN1C(=O)CCc1nc(-c2cccs2)no1 44912509 FBHXOZBIRTWTIM-SNVBAGLBSA-N 307.375 1.978 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 44908168 YFKUEFNTHSMVEG-JTQLQIEISA-N 306.366 1.600 0 40 DDAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 110612814 HESSGUMAGVLNDK-CYZMBNFOSA-N 313.806 1.747 0 40 DDAB Cn1cccc1C(=O)OCC(=O)NCCCc1ccccc1 3325360 VQVNYXBJXGKWLD-UHFFFAOYSA-N 300.358 1.931 0 40 DDAB CO[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)C1 20866816 GOHDMVQCBHCDQZ-YPMHNXCESA-N 307.346 1.820 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C 3356128 KPXBPUCJNWGBOF-MRXNPFEDSA-N 321.396 1.635 0 40 DDAB CC(C)CN1CCn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 36357716 LFUFDHHNGNNFMT-UHFFFAOYSA-N 319.409 1.029 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NCCc1nnc2ccccn12 48343906 QNJPIPYGOIICKN-ZDUSSCGKSA-N 317.393 1.340 0 40 DDAB c1ccc(Cn2nnnc2CN2CCO[C@@H]3CCCC[C@@H]32)cc1 48312751 ZDQVCDBWJITTHO-JKSUJKDBSA-N 313.405 1.865 0 40 DDAB COc1cc(NC(=O)COC(=O)c2cnn(C)c2)cc(OC)c1 12848627 ZMRFHQOESKJNBX-UHFFFAOYSA-N 319.317 1.233 0 40 DDAB COc1ccc([C@H](C)NC(=O)N2CC[C@H](C(N)=O)C2)c(OC)c1 46078762 YZFKEDWTJPNPCX-QWRGUYRKSA-N 321.377 1.282 0 40 DDAB COc1ccc(C(=O)CSc2nc(N)cc(N)n2)c(OC)c1 3532344 KSEMNXHNUFMAOQ-UHFFFAOYSA-N 320.374 1.633 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505403 AMYTVRXCBUWCDO-GFCCVEGCSA-N 307.394 1.642 0 40 DDAB C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 3618056 PGSIBSVOWOZOCM-GFCCVEGCSA-N 308.341 1.669 0 40 DDAB C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 63194219 XZFBRKNVQAZSPF-SCZZXKLOSA-N 322.352 1.994 0 40 DDAB CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CC(C)C)C(=O)[C@H]13)O2 4044165 QJWRTSJSHIQCKG-VWPFQQQWSA-N 307.390 1.624 0 40 DDAB biogenic CCCN(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 63915057 KYAZBJQLCVWWQV-CYBMUJFWSA-N 310.419 1.450 0 40 DDAB Cc1sc2ncnc(SCC(=O)N3CCNC3=O)c2c1C 6113089 VUDQAPLLELIJRG-UHFFFAOYSA-N 322.415 1.952 0 40 DDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)cc1 6109555 OMOQIEPBPILPNV-UHFFFAOYSA-N 321.373 1.974 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 71285765 QZRLGUKSNDKVBD-NXEZZACHSA-N 310.737 1.734 0 40 DDAB COC[C@@H](O)CN(C)C(=O)NCc1ccc(-c2ccn[nH]2)cc1 65449383 GYXGXDCPBCPVQC-AWEZNQCLSA-N 318.377 1.225 0 40 DDAB COc1cc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc(OC)c1 14108468 WSOYCFQJONQLKS-ZDUSSCGKSA-N 309.366 1.725 0 40 DDAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccccn1 14210902 ULNBOPZSYMGJJN-UHFFFAOYSA-N 302.355 1.885 0 40 DDAB O=C([C@H]1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 71834614 MCZJRZYEZXIAOK-INIZCTEOSA-N 316.401 1.302 0 40 DDAB C[C@@H](CC(=O)N1CCc2nnc(N(C)C)cc2C1)n1cccc1 71871667 ARLLXNRNWJDYGU-ZDUSSCGKSA-N 313.405 1.880 0 40 DDAB COCCc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 6719963 IKOYGBSLIJLCFK-UHFFFAOYSA-N 318.358 1.813 0 40 DDAB COc1cc([C@@H]2ON=C(C(=O)O)[C@@H]2C)c(OC)c2c1OCO2 14987654 YJJCMPMXQUYKAT-QUBYGPBYSA-N 309.274 1.581 0 40 DDAB O=C(COC(=O)CSc1nc2ccccc2o1)NC1CC1 5970156 XKWQMBSCXYTOII-UHFFFAOYSA-N 306.343 1.742 0 40 DDAB COc1cc(Nc2nc(N)nc3[nH]cnc23)cc(OC)c1OC 9423859 YYGKNHXJSASKNE-UHFFFAOYSA-N 316.321 1.705 0 40 DDAB CCOCCO[C@H]1CCN(C(=O)c2ccc3c(c2)N(C)CC3)C1 96502630 PVERWEQECPCWCC-INIZCTEOSA-N 318.417 1.947 0 40 DDAB CC(C)(C(=O)Nc1cc(C(=O)O)ccc1F)S(C)(=O)=O 70127659 RZGXHJBBEASWCA-UHFFFAOYSA-N 303.311 1.286 0 40 DDAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1cc(C)no1 69419390 BOIITAJDHCOFDU-INIZCTEOSA-N 318.329 1.724 0 40 DDAB CN(C)CCn1ccc2ccc(NC(=O)[C@@H]3COCCO3)cc21 96418426 BNLVXVXHPQSPDY-INIZCTEOSA-N 317.389 1.557 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCCc1ccsc1 69595784 FRQYHNXFMNAWDD-CQSZACIVSA-N 319.434 1.163 0 40 DDAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)Cc1ccccc1F 69535792 FABMCJDMKKZVSL-AWEZNQCLSA-N 322.405 1.796 0 40 DDAB C[C@@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(N)=O 17257390 WPBUTQJJGDXGPU-MRVPVSSYSA-N 313.737 1.461 0 40 DDAB Cc1ncsc1CCN1CCN([C@@H](C)C(=O)NC2CC2)CC1 69698464 WGNGGOGBQFNMQM-ZDUSSCGKSA-N 322.478 1.279 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc2ccccc2n1 84678490 VJJBHYNAIROMTA-NWDGAFQWSA-N 318.398 1.882 0 40 DDAB CCN1C[C@@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1=O 84779909 KTDSAIWMSYJNRF-NWDGAFQWSA-N 318.377 1.479 0 40 DDAB CCN(C(=O)CN[C@H]1CCc2nc(C)nn2C1)C1=CCCCC1 72268025 FPJSBHKZLUAOBC-AWEZNQCLSA-N 317.437 1.797 0 40 DDAB COC(=O)[C@H](NC(=O)c1cc(C(N)=O)co1)c1ccccc1 72287450 UAIBBTKZKRHVJW-GFCCVEGCSA-N 302.286 1.023 0 40 DDAB CC(C)N1CCCN(C(=O)c2ccccc2-n2ccnn2)CC1 97107290 ZJFFVDLYDOKOAV-UHFFFAOYSA-N 313.405 1.824 0 40 DDAB C[C@]1(CO)CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 95940326 MBCNKZFKEFDBQI-RDTXWAMCSA-N 316.401 1.951 0 40 DDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1cccs1)N(C)C 95949362 AEBDHMYYJXHNAX-NSHDSACASA-N 305.469 1.525 0 40 DDAB O=C(/C=C/c1csc(Br)c1)NCc1nc[nH]n1 89764646 BSBNVQSUCPPKQC-OWOJBTEDSA-N 313.180 1.958 0 40 DDAB CC(=O)NCC(=O)N[C@H](C)Cc1ccccc1Br 89904189 CUKILNJEIOHBEJ-SECBINFHSA-N 313.195 1.632 0 40 DDAB Cc1nc(CN2CCCN(CC(=O)NC(C)(C)C)CC2)cs1 22916509 SDIQJNGEOALOAP-UHFFFAOYSA-N 324.494 1.874 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71288045 WYCDMNNQVICBOG-MNOVXSKESA-N 306.318 1.089 0 40 DDAB CO[C@@H]1C(=O)N(c2cccc(Br)c2)[C@H]1C(=O)O 218278163 URIMZIHSRBQCOS-BDAKNGLRSA-N 300.108 1.264 0 40 DDAB CCc1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 36633847 RFFKJLFJNPXAAA-OAHLLOKOSA-N 301.390 1.128 0 40 DDAB NC(=O)CN1CCO[C@@H](COc2c(Cl)cccc2Cl)C1 217494837 JKQLELOFVBTQSK-SECBINFHSA-N 319.188 1.558 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC2(COC(C)(C)OC2)C1 70971381 FGAUGGVBMTVNIG-UHFFFAOYSA-N 308.378 1.836 0 40 DDAB Cc1csc(Nc2nccnc2[C@@H]2CCCN2CC(N)=O)n1 72367509 YAAUGCNFUFBNAN-JTQLQIEISA-N 318.406 1.607 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@H]1CCN(CC(=O)O)C1 79413721 GCTDHFGDJMMGHB-AWEZNQCLSA-N 306.362 1.804 0 40 DDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1Cc2ccccc2O1 69415204 YHTYPMQKANSOCX-NVXWUHKLSA-N 318.417 1.559 0 40 DDAB Cn1c(Cl)nc2ccc(C(=O)NCCN3CCOCC3)cc21 225987917 RTOKGBISPVTHFC-UHFFFAOYSA-N 322.796 1.289 0 40 DDAB CCc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)oc1CC 570168960 KOEBMPDNXITQQH-NSHDSACASA-N 317.393 1.923 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1nncs1)O2 41547301 VSYGIZJORVONSM-CYBMUJFWSA-N 304.331 1.575 0 40 DDAB CCn1nc(C)c2nn(CC(=O)NCc3cccs3)cc21 46087570 RQFLVWZYBXDAFR-UHFFFAOYSA-N 303.391 1.939 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2csc(C)n2)C1 225806091 AVXYPGSZJLVBOO-SNVBAGLBSA-N 320.374 1.544 0 40 DDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC(C)(C)C 532356414 XRGOUUSNZQRQPX-JTQLQIEISA-N 313.423 1.835 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053940 LXZGKSGNLGWZAP-BETUJISGSA-N 314.414 1.742 0 40 DDAB CN1CCN(C(=O)c2cnn(-c3ccccc3)c2Cl)CC1 95117431 OSDIKMLLTJAQHO-UHFFFAOYSA-N 304.781 1.913 0 40 DDAB c1cnn(C[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)c1 96188548 ROLAIHQOAFONEE-INIZCTEOSA-N 308.389 1.807 0 40 DDAB OC[C@H](O)CSCc1cn(-c2ccc(F)c(Cl)c2)nn1 96501464 IHEKHTCCUQABAK-JTQLQIEISA-N 317.773 1.646 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@H]12 96251867 BQTTZAZDUKQHSQ-FUHWJXTLSA-N 315.417 1.933 0 40 DDAB O=C(O)CNS(=O)(=O)c1ccccc1C(=O)c1ccccc1 96511643 ORFUBKUQZWMCOA-UHFFFAOYSA-N 319.338 1.281 0 40 DDAB O=C(NC1CC1)N1CCO[C@@]2(CCCN(c3nncs3)C2)C1 96074899 XVGCUAUMTUWYBF-AWEZNQCLSA-N 323.422 1.081 0 40 DDAB Cc1ccc(OCC(=O)Nc2cnn(-c3ncccn3)c2)cc1 96414107 UANYEUGOHQBCDH-UHFFFAOYSA-N 309.329 1.988 0 40 DDAB NC(=O)NCCCOC(=O)c1ccc(-n2cccc2)c(F)c1 96442258 LXNGXKTYGNXJBN-UHFFFAOYSA-N 305.309 1.832 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96106024 IBJQXYSNZJLLTB-OAHLLOKOSA-N 310.438 1.372 0 40 DDAB CN1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 96477685 BHYRYNKDWUBKTK-STQMWFEESA-N 316.323 1.607 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc21 96111722 UVUACJPEYVHVHE-JQWIXIFHSA-N 313.313 1.313 0 40 DDAB biogenic,in-vitro C[C@@H](c1cccnc1)N1CCN(CCN2CCOC2=O)CC1 96424316 AUUDWUKMIYPDLW-AWEZNQCLSA-N 304.394 1.212 0 40 DDAB CCn1cccc(NC(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1=O 333942357 PVSFDPKFNZSTBP-HIFRSBDPSA-N 318.421 1.959 0 40 DDAB COC(=O)[C@@H]1CN(CCN2CCCc3ccccc32)CCO1 90525804 XYMYAFCRXRVNTI-INIZCTEOSA-N 304.390 1.313 0 40 DDAB CN(CC[C@@H]1CCCCN1C)CC(=O)NCc1cccnc1 96441541 HXSBFFGKHMMQFR-INIZCTEOSA-N 304.438 1.504 0 40 DDAB C[C@H](NC(=O)CC1CCOCC1)C1(N2CCOCC2)CCCC1 96449735 ZGFUYUUAGLDWLX-HNNXBMFYSA-N 324.465 1.953 0 40 DDAB Cc1ncsc1CN1Cc2ccnn2[C@H](C(=O)N(C)C)C1 247971147 HRADNFGDGPILQJ-LBPRGKRZSA-N 305.407 1.293 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(C2CCCCC2)no1 257292018 QJPWGHYXTGPYAH-UXIGCNINSA-N 308.378 1.726 0 40 DDAB CNc1ncccc1CN1CCO[C@@H](c2nc(C)cc(O)n2)C1 257338970 YZQSPOYQGDHVOM-CYBMUJFWSA-N 315.377 1.501 0 40 DDAB Nc1nccnc1C[C@H]1CCCN(C(=O)Cc2cccnc2)C1 257302461 SCZVWIUNPWJEAP-CQSZACIVSA-N 311.389 1.478 0 40 DDAB CC(C)S(=O)(=O)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257294581 QUTBQFPMHYTOFL-LBPRGKRZSA-N 308.407 1.876 0 40 DDAB O=C(N[C@@H](c1ccccc1)C(F)F)N[C@@H]1CCc2ncnn2C1 294169328 JBOLQFUZACHFSD-YPMHNXCESA-N 321.331 1.899 0 40 DDAB CS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(C(=O)O)c1 659190520 ODNFUIMMAWLEAF-GFCCVEGCSA-N 311.359 1.034 0 40 DDAB O=C(N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1)C1(F)CC1 575406165 XMRNZMNOFHVVPI-AWEZNQCLSA-N 320.364 1.860 0 40 DDAB Cc1csc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1 575603757 KCHOYZWHDFTLIO-UHFFFAOYSA-N 320.422 1.304 0 40 DDAB Cc1nccc(N2CC[C@@](O)(COc3cccc(F)c3)C2)n1 585274930 RTOWYXHDGZWBJL-INIZCTEOSA-N 303.337 1.944 0 40 DDAB CNC(=O)COc1ccccc1CN[C@H](C)[C@@H](C)n1cccn1 69372420 VWVQGXOJNIILAT-ZIAGYGMSSA-N 316.405 1.747 0 40 DDAB Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)c(=O)[nH]1 75119945 QXLHVSPWMWUBFG-UHFFFAOYSA-N 312.373 1.477 0 40 DDAB CC(C)OC(=O)c1ccn(CC(=O)NCc2ccco2)c(=O)c1 95980766 WHQFKQALMGLYSU-UHFFFAOYSA-N 318.329 1.323 0 40 DDAB C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F 84714580 JUXIRKQVBLRPSP-KWQFWETISA-N 306.790 1.708 0 40 DDAB CC(=O)Nc1nc([C@@H]2CCCN2CC(=O)N2CCCC2)cs1 1615189479 RYQKJMNJYHTYQP-ZDUSSCGKSA-N 322.434 1.861 0 40 DDAB CCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1 5391336 IGOFPEFBQATFFL-UHFFFAOYSA-N 323.349 1.471 0 40 DDAB COC(=O)c1ccc2nc3n(c(=O)c2c1)CCN(C(C)C)CC3 12187113 NCPKALXXLDAMAD-UHFFFAOYSA-N 315.373 1.450 0 40 DDAB O=C(Cn1cnc2ccccc21)OCC(=O)N1CCCCCC1 12659011 OXIYVHOQXCTNOZ-UHFFFAOYSA-N 315.373 1.982 0 40 DDAB Nc1nc(N)c2c(n1)NCN(OCOc1ccc(Cl)cc1)C2 13212097 STXDVXFKIHILSR-UHFFFAOYSA-N 322.756 1.448 0 40 DDAB CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1N 16756023 DWIJWWSFYHRDNP-UHFFFAOYSA-N 306.395 1.014 0 40 DDAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19292413 SQMNVQAHKYYVHN-CYBMUJFWSA-N 300.406 1.628 0 40 DDAB O=C(CNC1CC1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 568354242 DXUDVNDBXWLSLE-CYBMUJFWSA-N 320.462 1.366 0 40 DDAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc2nsnc2c1 253407632 WRUFXTKSKLEHML-DDTOSNHZSA-N 319.386 1.758 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600973 ROELHVQTEMQUJJ-QGZVFWFLSA-N 315.373 1.296 0 40 DDAB CC(C)(C)C(=O)CNC(=O)c1ccccc1SCC(N)=O 12797301 ZNBIUMJOZSLDND-UHFFFAOYSA-N 308.403 1.609 0 40 DDAB CN1CCC[C@@H](c2cccc(NCCN3CCCC3=O)n2)C1 1848355175 PNSKRJZYMSERKP-CQSZACIVSA-N 302.422 1.925 0 40 DDAB Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 21021888 YMOJXVAEZKRFDN-LLVKDONJSA-N 319.386 1.709 0 40 DDAB CCN1CCc2nc(NC(=O)c3cnc(C)cn3)sc2C1 21295140 ONVUASADNLHAPQ-UHFFFAOYSA-N 303.391 1.872 0 40 DDAB CCn1cc(Br)c(C(=O)Nc2cnn(C)c2C)n1 28235032 MVJHOKYHJQKFLK-UHFFFAOYSA-N 312.171 1.960 0 40 DDAB CC(C)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)O 40910589 RQIJVUBQVWQBBS-UHFFFAOYSA-N 311.281 1.847 0 40 DDAB COC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cn(C)nc21 1146921645 LUEMJTBBSQHJMI-LBPRGKRZSA-N 316.361 1.672 0 40 DDAB CCn1cc(CN2CC[C@H]3[C@H](CC(=O)N(C)C)OC[C@H]3C2)cn1 1565543323 WTHDTXZBZBGEEO-OAGGEKHMSA-N 320.437 1.218 0 40 DDAB CCCNC(=O)Cn1c(-n2nc(C)cc2C)nc(C)c(C)c1=O 5254657 HZUXTERVLSFXRB-UHFFFAOYSA-N 317.393 1.189 0 40 DDAB Cc1cc(N2C[C@@H]3CN(C(=O)C4CCCC4)C[C@H]3C2)ncn1 585415259 GFSUHRWUWNPFQM-HUUCEWRRSA-N 300.406 1.870 0 40 DDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccccc1F 12390626 FDPORYZSGFFQAV-UHFFFAOYSA-N 315.308 1.436 0 40 DDAB CC(=O)NCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 40512453 JUUNMPDMERSSLI-UHFFFAOYSA-N 307.737 1.861 0 40 DDAB COCCOc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1 30505808 HYDGJEGXYLRJEA-LLVKDONJSA-N 307.350 1.064 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 50246598 GFGVIUKYWKFQQL-SECBINFHSA-N 319.224 1.418 0 40 DDAB CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1 2114 JFNWFXVFBDDWCX-UHFFFAOYSA-N 309.347 1.615 0 40 DDAB world Cc1occc(=O)c1OCC(=O)Nc1ccc2c(c1)OCO2 40287423 BFXALIGBLHERPE-UHFFFAOYSA-N 303.270 1.694 0 40 DDAB CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)[C@H]1CC(=O)NC1=O 100667163 KJWNQEJNWQRLDL-AXFHLTTASA-N 306.387 1.424 0 40 DDAB CCC[C@@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 40536211 KWMVCXSNXZNZKM-QGZVFWFLSA-N 317.389 1.756 0 40 DDAB COC[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(O)nn2C 31817607 AQKLKZPBAHQBCC-QMMMGPOBSA-N 304.350 1.316 0 40 DDAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)C1(n2cnnn2)CCCCC1 101342492 OCTYMJPARNVBPD-IHRRRGAJSA-N 301.394 1.661 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 20717965 BEZJPYAQORZCLR-CQSZACIVSA-N 309.325 1.387 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1 32771975 WUYPBUFMPHVARN-UHFFFAOYSA-N 317.349 1.707 0 40 DDAB Cc1csc(N2CCN(CC(=O)Nc3nncs3)CC2)n1 52662893 SXEWVJVYBDRXDO-UHFFFAOYSA-N 324.435 1.064 0 40 DDAB COc1ccccc1CN1CCN(C(=O)c2csnn2)CC1 102760364 HTNMMBGKLNTMMT-UHFFFAOYSA-N 318.402 1.505 0 40 DDAB COc1ccc2cnn(-c3nc(C)cc(C)n3)c(=O)c2c1OC 279517 OSTMZOPKDHGHNB-UHFFFAOYSA-N 312.329 1.810 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)c1nn2cccnc2c1Cl 2793558 LGAFVRUOEXLXPF-UHFFFAOYSA-N 318.768 1.663 0 40 DDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3ccccc3)cc2)c1N 33435980 IZMAPOSEFPOVOP-UHFFFAOYSA-N 322.328 1.201 0 40 DDAB CCc1cnc(CN2CCO[C@H](CNc3cccnn3)C2)o1 78893682 JVPQEPWWVUZURK-CYBMUJFWSA-N 303.366 1.340 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1C 78901479 UNLJSXPASLJHHK-LLVKDONJSA-N 315.377 1.175 0 40 DDAB COc1ccc(Cc2nnc(NCc3ccco3)[nH]c2=O)cc1 2718693 LTXBYOOUFAAQFF-UHFFFAOYSA-N 312.329 1.969 0 40 DDAB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(F)c1)N1CCOCC1 71921295 MEBDSHAPINJCNZ-NWDGAFQWSA-N 324.352 1.417 0 40 DDAB CCCc1noc(CCC(=O)NCc2cn3ccccc3n2)n1 23082781 ZOFJXMOELHUFOL-UHFFFAOYSA-N 313.361 1.919 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)CSc2ccccn2)c1 4835300 CCMAEPTVLVEFJV-UHFFFAOYSA-N 323.399 1.460 0 40 DDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N(C)c1ccccc1 6533304 FIFUOKWXDFXWMI-SECBINFHSA-N 303.391 1.785 0 40 DDAB CC(C)Nc1ncccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 71911667 KFCWNZUYTSKMKS-ZIAGYGMSSA-N 318.421 1.495 0 40 DDAB COc1ccccc1OCCNC(=O)c1c(C)nn(C)c1C 54612130 MNMKIDSFEPREFT-UHFFFAOYSA-N 303.362 1.854 0 40 DDAB O=C(CNC(=O)NCc1ccc(F)cc1)NCc1cccnc1 54613196 LAPFBQJTVQIASW-UHFFFAOYSA-N 316.336 1.336 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccncc2)C1=O 23953936 NHXQNPFWYVBXPK-QGZVFWFLSA-N 324.340 1.584 0 40 DDAB Cc1cccc(OCCC(=O)N2CCC(C(N)=O)CC2)c1C 24543111 VOEKKYTWDVSGON-UHFFFAOYSA-N 304.390 1.796 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccncc1 24686517 BLMAQFGDSMOWPH-VBROQKIQSA-N 323.418 1.025 0 40 DDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ncccn2)C1 106508097 IWKULYVXRVLAFL-NEPJUHHUSA-N 306.366 1.079 0 40 DDAB COC(=O)[C@@H]1CC[C@@H](O)[C@@H](OC)N1C(=O)OCc1ccccc1 26895544 AWPGAMAVGUJBCC-BFHYXJOUSA-N 323.345 1.294 0 40 DDAB CN(CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 106905442 PFNLCJYZYJYSNF-JKSUJKDBSA-N 324.469 1.023 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C3(CC3)[C@@H]1[C@@]13O[C@@]21[C@@H]1CC[C@@H]3C1 104295338 XUXJNGQUNVJARC-JDBATWQMSA-N 316.353 1.607 0 40 DDAB COc1ccc2cc(CN3CCNC(=O)C3)c(Cl)nc2c1 57673684 LPCDZTFCSXWQOK-UHFFFAOYSA-N 305.765 1.829 0 40 DDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCc1ccncc1 58011945 MTTBCXCHGCINPA-SFHVURJKSA-N 323.352 1.854 0 40 DDAB CC(C)N(CC(=O)NCC(=O)N1CCCC1)c1ccccc1 58191575 STPLJQMMSVPXGQ-UHFFFAOYSA-N 303.406 1.640 0 40 DDAB CSc1ncc(CN2CCN(C(C)C)[C@@H](CCO)C2)cn1 20203592 NDKXDDXJUGBJOD-AWEZNQCLSA-N 310.467 1.476 0 40 DDAB COCCN1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1=O 108532566 UMCOUGYZDONUTK-ZIAGYGMSSA-N 308.422 1.520 0 40 DDAB CC(C)c1cc(C(=O)N2CCN(c3nccs3)CC2)n[nH]1 44966975 AFPGMHZJYYULBC-UHFFFAOYSA-N 305.407 1.952 0 40 DDAB O=S(=O)(NC[C@H]1CCN(C2CC2)C1)c1ccc2c(c1)CCO2 44935880 XKOKOYRVODOZLK-GFCCVEGCSA-N 322.430 1.384 0 40 DDAB C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)n1cncn1 44908790 ZFGZALCCFSMVQT-NEPJUHHUSA-N 302.334 1.138 0 40 DDAB COc1ccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)cn1 44950938 DXDGEKDTZIWQEB-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB Cc1nc2ccccc2n1CCCNC(=O)N1CCOCC1 36126047 HKNPYTPENXFYRU-UHFFFAOYSA-N 302.378 1.777 0 40 DDAB O=S(=O)(c1ccc(NC2CCCC2)nc1)N1CCOCC1 23641466 UQQGTSTYHQVMIC-UHFFFAOYSA-N 311.407 1.457 0 40 DDAB C[C@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)NC1CCCC1 58394383 DHDAMEQTEKYBBT-NSHDSACASA-N 311.426 1.102 0 40 DDAB c1coc([C@H](CNC[C@@H]2CNc3ccnn3C2)N2CCCC2)c1 58328238 FPUKLTTYLMQXHK-CABCVRRESA-N 315.421 1.945 0 40 DDAB CC(C)OCCCNC(=O)Cn1c(-c2ccccc2)noc1=O 58357187 VBAGLNNNAFIUQH-UHFFFAOYSA-N 319.361 1.435 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1Cc1nc(-c2ccsc2)no1 28659263 QFADGYRJFLCZBM-LLVKDONJSA-N 306.391 1.851 0 40 DDAB CCCOC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 11044318 MQXOFANKTLJIIP-UHFFFAOYSA-N 305.334 1.217 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 45540522 TUFMJUMOUJSSMR-MEBBXXQBSA-N 307.350 1.351 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc[n+]([O-])cc1 46293243 BWGLFIMUUDGDJI-UHFFFAOYSA-N 313.357 1.717 0 40 DDAB CC(=O)N(C)CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 46353525 KJFHGZYTTLLQTO-CYBMUJFWSA-N 319.409 1.146 0 40 DDAB Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F 23212104 YRKSRWKDHBICGG-UHFFFAOYSA-N 316.398 1.135 0 40 DDAB COCCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 20612624 AZALTLZCCMHXOP-UHFFFAOYSA-N 310.419 1.753 0 40 DDAB Cc1cc(C)c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)c1 12897927 UAYAPVANXATEOB-UHFFFAOYSA-N 303.362 1.881 0 40 DDAB CCCn1nc(C(=O)O[C@@H]2CCOC2=O)c2ccccc2c1=O 3485462 VOJOBRIVZZPAMP-GFCCVEGCSA-N 316.313 1.279 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 3525560 UNESZBYQWKBXNK-KBPBESRZSA-N 321.373 1.553 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 63705646 FCQHYISHUQWIFN-CYBMUJFWSA-N 318.373 1.888 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1nccnc1N 5040460 OUTJSAPWQZVGPV-SECBINFHSA-N 316.317 1.251 0 40 DDAB O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCS(=O)(=O)C1 65410689 PFVXKJNKGKQYLF-CQSZACIVSA-N 318.398 1.323 0 40 DDAB COCCN1CCN(Cc2nccn2CC(F)(F)F)CC1 65591101 DMKPLMSQNPPBIH-UHFFFAOYSA-N 306.332 1.209 0 40 DDAB CCO[C@@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 65542486 ZFVTZUKAIXAQIA-AWEZNQCLSA-N 320.433 1.685 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ccccn2)CC1 14137810 CLRVUFWYRVHDCV-UHFFFAOYSA-N 321.377 1.732 0 40 DDAB CS(=O)(=O)NCCNC(=O)N1CCC2(CCCCC2)CC1 65610926 IGXZUXWOMNHVRA-UHFFFAOYSA-N 317.455 1.292 0 40 DDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1 4546535 JULCBQMRBUNWRB-ZETCQYMHSA-N 307.331 1.297 0 40 DDAB CCOC(=O)CCc1c(C)[nH]n(-c2nc(C)cc(C)n2)c1=O 9225465 GLWXTWWSGNFDKX-UHFFFAOYSA-N 304.350 1.377 0 40 DDAB COc1cc2c(nn1)CCN(C[C@H](O)c1cccc(F)c1)C2 83925437 ZDZLWENMCCQDNE-HNNXBMFYSA-N 303.337 1.716 0 40 DDAB CSCC[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 71794565 MNOWXHWXSCAYOW-CYBMUJFWSA-N 321.446 1.624 0 40 DDAB COc1cccc(N2C[C@H](C(=O)Nc3ncccn3)CC2=O)c1 8247231 AYJNYZVVZMONFQ-LLVKDONJSA-N 312.329 1.477 0 40 DDAB C[C@@H](Cn1cccn1)NCc1ccccc1N1CCOCC1 69351327 FDGKDDVJCYBLGT-HNNXBMFYSA-N 300.406 1.898 0 40 DDAB c1coc(-c2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)c1 69392017 GKTXSKDZZOUVLN-LBPRGKRZSA-N 315.333 1.427 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc(Cl)c1 69416026 FIISJEGLUMOVPM-MNOVXSKESA-N 309.797 1.864 0 40 DDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](n2cccn2)C1 69418367 IBDAZJYIGGHLDG-HNNXBMFYSA-N 322.372 1.941 0 40 DDAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cncc(F)c1 97014620 GIQRTBGQVIMJRD-UHFFFAOYSA-N 314.316 1.962 0 40 DDAB CCN(CC)C(=O)CN1CCCN(Cc2ccccn2)CC1 69585466 WTUFPDVEAFKWPN-UHFFFAOYSA-N 304.438 1.458 0 40 DDAB CCN1CCN(C2CCN(CCc3ccncc3)CC2)C1=O 69521250 TUIMOSDQACASKX-UHFFFAOYSA-N 302.422 1.846 0 40 DDAB CCn1c(C)nnc1CN(C)S(=O)(=O)c1cccs1 97047883 LOTSDXFHKRLVJX-UHFFFAOYSA-N 300.409 1.489 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)NCCN(C)c1ccccc1 69559209 RDGDWQYTVZNFOK-CQSZACIVSA-N 321.446 1.551 0 40 DDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccc(F)cc1F 69631242 HDLACGVSBZCADP-JTQLQIEISA-N 319.329 1.594 0 40 DDAB CCc1nc(CN2CCCC[C@H]2Cn2nc(C)nc2C)no1 69624206 VYCMZBOLWBTSSQ-ZDUSSCGKSA-N 304.398 1.895 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)s1 69704099 INJDGOJQOQGPKJ-LLVKDONJSA-N 310.375 1.131 0 40 DDAB Cc1ncc2c(n1)CN(CC(=O)N(C)Cc1ccco1)CC2 69738332 FZJQJXXJYHHIHK-UHFFFAOYSA-N 300.362 1.395 0 40 DDAB Cc1nc(CN2CCC[C@@H](NCCOCC(F)(F)F)C2)no1 69872047 CJTLHYCGALKQJK-LLVKDONJSA-N 322.331 1.511 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc(N(C)C)nc1)CC2 97198334 UDBSUDWBTFSNNU-LBPRGKRZSA-N 314.393 1.046 0 40 DDAB O=S(=O)(CCc1ccccc1)N1CCC[C@@H]1Cn1ccnc1 72300183 ZENRZCDRXXQISY-MRXNPFEDSA-N 319.430 1.920 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@@H]1CCC[C@H]1O 84344357 XUBRHAXXBYATOV-GXFFZTMASA-N 314.332 1.804 0 40 DDAB CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(F)cc1F 84791166 HXURBYOEIOICID-MRVPVSSYSA-N 307.318 1.442 0 40 DDAB COC(=O)c1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 95446498 LUJNPVRIMJUCPD-PWSUYJOCSA-N 319.361 1.591 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cn1 95404111 KQMLHRTYDABIAP-CRAIPNDOSA-N 324.384 1.601 0 40 DDAB Cn1ncc(N[C@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1=O 95971028 VAEKJEJPNOGREH-ZANVPECISA-N 315.826 1.900 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)nc2)c(=O)[nH]1 75119286 PGAXGBVLYQIUDG-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB CCCCCNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 75106737 XFKCBHOOIKXDMU-OAHLLOKOSA-N 310.398 1.196 0 40 DDAB O=C(NCC1(O)CCOCC1)c1ccn(-c2ccccc2F)n1 75228658 FCZNLQNHRRLNQN-UHFFFAOYSA-N 319.336 1.283 0 40 DDAB C[C@@]1([C@@H]2CCCN(Cc3ccccc3F)C2)NC(=O)NC1=O 89917262 KJWBWYRVCYBKGD-WBMJQRKESA-N 305.353 1.636 0 40 DDAB CC(C)c1noc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 76059178 AUSVJRQTYPXRNG-MEBBXXQBSA-N 321.381 1.003 0 40 DDAB CCOc1ccc(NS(=O)(=O)c2ccc3nncn3c2)cc1 65199007 YCQUTISXULBNPS-UHFFFAOYSA-N 318.358 1.929 0 40 DDAB Cc1nc(Cc2noc([C@@H]3CC(=O)N(C4CC4)C3)n2)cs1 544910948 GSJWOFYSTISXBZ-SECBINFHSA-N 304.375 1.904 0 40 DDAB COc1ccnc(N2CCC(OC)(c3nccn3C)CC2)n1 1548520878 PIOHDVXNRRCNOJ-UHFFFAOYSA-N 303.366 1.361 0 40 DDAB O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1cncnc1 546201095 QCFYCMSOGAHVRC-UHFFFAOYSA-N 324.344 1.442 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)cc1C 408604884 FPLJSNABAFRCRN-ZDUSSCGKSA-N 306.387 1.969 0 40 DDAB CC[C@H](CCNS(=O)(=O)c1cnn(C)c1C)n1cccn1 36615142 AVLAWQXRRYDGJX-GFCCVEGCSA-N 311.411 1.245 0 40 DDAB Cn1ccc(S(=O)(=O)N[C@H]2CCCCCC[C@H]2C(=O)O)n1 521039583 FCQMFDZVBZJSOR-MNOVXSKESA-N 315.395 1.122 0 40 DDAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)NCCCN(C)C 32611149 VTCMHLRAOPDDRT-SNVBAGLBSA-N 306.332 1.839 0 40 DDAB COc1cccc(N2Cc3nc(=O)n(CC(C)C)n3C2=O)c1 36354751 YCQDZVQLZLGLIN-UHFFFAOYSA-N 302.334 1.698 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 521402339 XQZYVALCURSSDN-HLTSFMKQSA-N 311.411 1.262 0 40 DDAB C[C@@H](Nc1cnn(-c2ccccc2Br)c1)C(N)=O 126512027 JIBNWXWIGYYHFM-MRVPVSSYSA-N 309.167 1.921 0 40 DDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)C1CCCCC1 70636793 CGOFZXZQWUSJBS-OAHLLOKOSA-N 322.380 1.499 0 40 DDAB COC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218006194 QMVBXCJJABPUFJ-ZYHUDNBSSA-N 319.835 1.805 0 40 DDAB COc1ccc(CN2CCO[C@@](C)(C(N)=O)C2)c2ccccc12 72379883 ARASQNYGJPEXKD-GOSISDBHSA-N 314.385 1.925 0 40 DDAB Cc1noc(C)c1CN1CCCC[C@H]1CNS(C)(=O)=O 45957809 YZKZFQKGHNPZLS-LBPRGKRZSA-N 301.412 1.195 0 40 DDAB CCN(CC)Cc1nc(C2(O)CCN(C(C)=O)CC2)cs1 225463857 NLMAJGVVZREKST-UHFFFAOYSA-N 311.451 1.815 0 40 DDAB biogenic,in-vitro COc1ccccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C 41124239 FRTDJOYYIRHYBD-UHFFFAOYSA-N 313.361 1.403 0 40 DDAB Cc1ccc(NC(=O)c2ccccc2OCc2nnnn2C)nc1 96101374 DKFFSMUYORTDLP-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB CCN1CC2(CN(Cc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514289136 IHKULDNGWBVDKQ-IAGOWNOFSA-N 301.434 1.012 0 40 DDAB biogenic,in-vitro CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cccc3cn[nH]c23)C1 96419345 JEARJJZSTMOHHX-RYUDHWBXSA-N 321.402 1.649 0 40 DDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)CC1CC1)CC2 96075400 VJCFPRLGPUNERP-UHFFFAOYSA-N 307.438 1.332 0 40 DDAB O=C(c1ccno1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072523 HBLSCGLLMVISTH-BBRMVZONSA-N 315.329 1.522 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccco2)[C@@H]2COC[C@H]12)c1cscn1 96185142 AKCUVOGQNPSPCZ-YRGRVCCFSA-N 319.386 1.365 0 40 DDAB O=C(C1CC1)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96222615 FINSKSUQVSBFMO-BBRMVZONSA-N 303.362 1.416 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2[C@H](COC)C1 96044806 JXDXOZXZLKYQCC-LBPRGKRZSA-N 317.393 1.331 0 40 DDAB CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1N(C)C 96477053 AJQOSSOMISBJJF-NSHDSACASA-N 302.415 1.977 0 40 DDAB CCN1C[C@H](C(=O)NCCc2cc3ccccc3o2)CC1=O 96417078 XEMPVRXGTSXLEI-CYBMUJFWSA-N 300.358 1.960 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)NC1CCCC1)CC2 96255425 RBPVFRGEBUHQDQ-UHFFFAOYSA-N 303.410 1.595 0 40 DDAB O=C(c1cc(N2CCOCC2)ncn1)N1CCc2ccccc2C1 244454718 ZDVSFXPXKSBXGC-UHFFFAOYSA-N 324.384 1.512 0 40 DDAB CC(C)CN1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]21 248246873 QQDAVTJBWPPYGP-JKSUJKDBSA-N 308.447 1.788 0 40 DDAB OC[C@@H](CNC[C@@H]1CNc2ccnn2C1)Cc1ccccc1 69490003 DQISXWOEADLYJB-HZPDHXFCSA-N 300.406 1.366 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)Cc1c(C)noc1C 257310382 UEVYTRQMPLIUOF-ZDUSSCGKSA-N 304.350 1.466 0 40 DDAB Cn1cc(CN2CCCC[C@H]2c2cc(O)n3ccnc3n2)cn1 257201449 AHTOUWHLZHQOLD-AWEZNQCLSA-N 312.377 1.896 0 40 DDAB CC(=O)Nc1ccn2ncc(C(=O)NCC(F)(F)F)c2c1 253408782 YSLIVJFIALDCJI-UHFFFAOYSA-N 300.240 1.585 0 40 DDAB COc1c(C)cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)cc1C 263259126 JFYQGSFPMJNAFU-TZMCWYRMSA-N 321.373 1.922 0 40 DDAB O=C(O)c1cn(-c2cccc(NC(=O)C3CCOCC3)c2)nn1 263437337 LSKUTBOBXXQHSP-UHFFFAOYSA-N 316.317 1.331 0 40 DDAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(O)nn1 390827583 IBCLPRVMPXZGEO-LLVKDONJSA-N 303.322 1.200 0 40 DDAB Cc1nccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 585149463 UUWXNHMWXSDCHP-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB O=C(NC[C@@H]1OC[C@H]2CN(C(=O)C3(F)CCC3)CC[C@H]21)C1CC1 585108072 NGCOIHUHEHFJKT-MCIONIFRSA-N 324.396 1.268 0 40 DDAB COC(=O)c1ccc(CCC(=O)N(C)Cc2nccn2C)cc1 68232905 DJYBIPUEMRHQPU-UHFFFAOYSA-N 315.373 1.798 0 40 DDAB CN1CCN(C[C@H](NC(=O)NC2CC2)c2ccccc2)CC1 69222780 QYCYVIYFZQQXPA-INIZCTEOSA-N 302.422 1.437 0 40 DDAB CN(C)C(=O)COC[C@H]1CN(c2nccs2)CC(C)(C)O1 893748640 DEWJOARMJAAGSR-LLVKDONJSA-N 313.423 1.232 0 40 DDAB O[C@@H](CN1CCOCC1)CN(Cc1ccc(F)cc1)C1CC1 44871060 UCRXEUMELYFUSU-KRWDZBQOSA-N 308.397 1.483 0 40 DDAB CCn1c(=O)n(CC(=O)O[C@H]2CCCCC2=O)c2ccccc21 83840151 NHFOQWKNJFIRGT-HNNXBMFYSA-N 316.357 1.878 0 40 DDAB CO[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 76067340 NTKCWOFIVPSQCU-WCQYABFASA-N 310.781 1.622 0 40 DDAB CCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nnn[nH]1 89949663 OCKQYVAXEVCLHU-JTQLQIEISA-N 313.321 1.521 0 40 DDAB CCc1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)no1 97047045 ODJLMSQCYYSNCH-UHFFFAOYSA-N 307.253 1.850 0 40 DDAB CSc1cccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 5399375 MRFCMIPETLABKQ-UMSGYPCISA-N 310.375 1.057 0 40 DDAB biogenic,in-vitro CCCCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199806 FSMFPLDGBLCTRM-UHFFFAOYSA-N 324.402 1.809 0 40 DDAB C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)n1cncn1 12201518 ADGDNBHBVKZORD-GFCCVEGCSA-N 313.361 1.396 0 40 DDAB COCCC(=O)NCCc1nc(C)ncc1-c1cc(C)no1 12337724 FXSQZCSKRVRUGD-UHFFFAOYSA-N 304.350 1.444 0 40 DDAB COC(=O)c1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937458 LNAVOPQCXRLCMS-UHFFFAOYSA-N 315.329 1.355 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nnc2ccccc2c1=O 1328153 BLEMYUNAFVRLSA-TXEJJXNPSA-N 300.362 1.581 0 40 DDAB Cc1nc2ccc(NC(=O)C(=O)N3CCCN(C)CC3)cc2o1 155513329 MVSVCRRUZRVOHU-UHFFFAOYSA-N 316.361 1.239 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCCC2)c1 21003712 HFOLLJWCNBFXCM-UHFFFAOYSA-N 310.419 1.594 0 40 DDAB COC(=O)CCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 35982498 MPMWIPIBRAFMMO-AWEZNQCLSA-N 318.373 1.105 0 40 DDAB CSc1ncc(C)c(N2CCN(c3nccc(C)n3)CC2)n1 1888854224 MLDJZPCTUYYTJK-UHFFFAOYSA-N 316.434 1.932 0 40 DDAB CCCNC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 16048383 KZSCDRLIFFFVOQ-UHFFFAOYSA-N 321.377 1.194 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC(Oc2cccnc2)C1 238868657 MJFFGLNGDYTKQR-UHFFFAOYSA-N 301.346 1.909 0 40 DDAB Cn1cnc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1Cl 95432031 AOJQXCSNSMUGGX-SNVBAGLBSA-N 314.798 1.052 0 40 DDAB Cc1noc2ncc(C(=O)NCCCN3CCCC3=O)cc12 32645360 WYPYSMZVQDKAHI-UHFFFAOYSA-N 302.334 1.274 0 40 DDAB CCc1cnc(N2CC[C@H](COc3ccc4nccn4n3)C2)nc1 2087022449 QDQQPSIMVOBYCO-AWEZNQCLSA-N 324.388 1.987 0 40 DDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(C)C)C2 2055812562 ZQXAXAKNFQIZIR-MRXNPFEDSA-N 321.446 1.796 0 40 DDAB CCOC(=O)c1s/c(=N/C(=O)c2cc(C)n(C)n2)n(C)c1C 101025434 MVUMLVLHTPTXDG-CCEZHUSRSA-N 322.390 1.355 0 40 DDAB Cc1cccc(-n2ncc3c(O)nc(-n4nc(C)cc4N)nc32)c1 35587880 ICKRZTCELULPOR-UHFFFAOYSA-N 321.344 1.906 0 40 DDAB CCCc1nnsc1C(=O)N1CC[C@H](Oc2cccnn2)C1 225413589 RDKXVJKFBIMNNZ-JTQLQIEISA-N 319.390 1.574 0 40 DDAB O=C(Cc1ccc(F)cc1)NCCCc1cnc2ncnn2c1 225641517 ARWOAWBWEBYVKO-UHFFFAOYSA-N 313.336 1.555 0 40 DDAB Cc1nccc(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298212726 DSALLKFENCXHOI-UHFFFAOYSA-N 310.361 1.876 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(C=O)c1)C(=O)O 34423506 DCYKYFMFAFQHSE-NSHDSACASA-N 309.318 1.725 0 40 DDAB CN1CCN(C(=O)C[C@H]2CSc3ccccc3NC2=O)CC1 20031570 CNQWLRKAQTVUBC-LBPRGKRZSA-N 319.430 1.511 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccccc2OCC(N)=O)no1 31115261 LGDUZRHDHBGSCE-UHFFFAOYSA-N 303.318 1.119 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1cncc(Br)c1 31392129 NJMOQMJHFDGNNE-VIFPVBQESA-N 309.167 1.859 0 40 DDAB Cc1ccc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)nc2c1 31613329 HKINMWWOINUQPP-CYBMUJFWSA-N 318.398 1.769 0 40 DDAB O=C([C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1)N1CCOCC1 100816165 IZPJLRNFSHNFGG-HRCADAONSA-N 314.385 1.539 0 40 DDAB C[C@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)C[C@@H](C)O1 40553213 OQLJLGHJKQASLU-AOOOYVTPSA-N 306.391 1.793 0 40 DDAB CC[C@@H](NC(N)=O)c1ccccc1OCC(=O)N1CCCC1 40556107 LLFSXHNGSJOKAR-CYBMUJFWSA-N 305.378 1.807 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)N2 31813279 PKMPCURJWJSMPA-GFCCVEGCSA-N 313.361 1.979 0 40 DDAB O=S1(=O)CC[C@H](N2CCN(c3nc4ccccc4o3)CC2)C1 51407692 WUXCXTQQCLCXCJ-LBPRGKRZSA-N 321.402 1.137 0 40 DDAB O=C1CN(c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cn2)CCN1 101401439 MWHRXQWQYNDREY-CHWSQXEVSA-N 314.389 1.393 0 40 DDAB CC(C)N(C(=O)CSc1nnc(N)n1C)c1ccccc1 32810062 KYIZYPDJXYNVCU-UHFFFAOYSA-N 305.407 1.931 0 40 DDAB COc1cc(OC)cc(C(=O)Nc2nc(CC(C)=O)ns2)c1 428879 RZEQOJJFQPIVTH-UHFFFAOYSA-N 321.358 1.939 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 21875526 UTCXGZDQOZGNRR-RYUDHWBXSA-N 309.410 1.792 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)NC[C@H]2CCCO2)cc1 2809679 AOFZZHKRMDZGMS-CYBMUJFWSA-N 311.403 1.454 0 40 DDAB CCOC(=S)SCCC1(CC)C(=O)NC(=O)NC1=O 1752424 MBSPXZVCJAGJKE-UHFFFAOYSA-N 304.393 1.194 0 40 DDAB CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 1865984 LYMVXFSTACVOLP-ZFWWWQNUSA-N 317.389 1.653 0 40 DDAB endogenous,in-man COc1cc(C2=NO[C@H](C(=O)O)C2)c(Cl)c(OC)c1OC 12396905 WXNLLUXMWJBDLU-VIFPVBQESA-N 315.709 1.943 0 40 DDAB CC[C@@H](CO)NC[C@@H](O)COc1ccc(Br)cc1 4279518 XZFZTQNLGWYNFV-NWDGAFQWSA-N 318.211 1.549 0 40 DDAB O=C(NCc1cccc(N2CCCC2=O)c1)Nc1nncs1 47497712 SCSOQHFOAGQZCU-UHFFFAOYSA-N 317.374 1.987 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)C)cc1 6357941 NQVLJTXEYVEXMQ-LLVKDONJSA-N 314.407 1.134 0 40 DDAB CCSCC[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)O 6596195 WYWDUBICVCEBLM-LBPRGKRZSA-N 319.386 1.956 0 40 DDAB CCN(CC)C(=O)N1CCN(C(=O)[C@H](C)c2cccnc2)CC1 95405499 PMYBAIRHVASFAS-CQSZACIVSA-N 318.421 1.791 0 40 DDAB O=C1N[C@@]2(Nc3ccccc31)C(=O)Nc1cc3c(cc12)OCCO3 8160936 GVAQCURCNIONKN-QGZVFWFLSA-N 323.308 1.418 0 40 DDAB COC(=O)[C@H]1CON(Cc2ccccc2)[C@H]1CC1(C)OCCO1 8652469 LAVQAPOQNOBNDN-GJZGRUSLSA-N 321.373 1.745 0 40 DDAB O=C1CSCN1CC(=O)N1CCCc2cc(F)cc(F)c21 55431634 LZGYSNCTQNMAGB-UHFFFAOYSA-N 312.341 1.777 0 40 DDAB CCO[C@@H](C)C(=O)N[C@@](C)(CNC(=O)[C@@H](C)OCC)C(C)C 107050220 NHNFHJDBVKMHQP-WWGRRREGSA-N 316.442 1.484 0 40 DDAB C[C@@H](C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)n1cncn1 57173681 BCSXWEYVFSQOIX-NSHDSACASA-N 323.397 1.355 0 40 DDAB Cc1ccccc1CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24678006 IJKQDBCHPGMANG-HNNXBMFYSA-N 324.446 1.468 0 40 DDAB CCOc1ccc(CN(C)C(=O)[C@H]2CCN(C)C(=O)C2)cc1 44303661 OQEHMBADUOWJAB-AWEZNQCLSA-N 304.390 1.912 0 40 DDAB Cc1cccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 26886376 LZHCQMWPWIVRJB-CQSZACIVSA-N 310.419 1.425 0 40 DDAB Cc1ccc(NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 57891828 UNLFUJXXHFYCNO-LLVKDONJSA-N 314.382 1.192 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ncccn3n2)C1 10073147 ADTXXWCOWLVGPF-QWRGUYRKSA-N 305.407 1.721 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1cccc(NC(=O)C2CC2)c1 58226348 ZOBLCSGIUUPHHQ-CYBMUJFWSA-N 301.346 1.044 0 40 DDAB O=c1onc(-c2cnccn2)n1Cc1ncc(-c2ccccc2)o1 58292735 ZPPYEHPOEJZVHE-UHFFFAOYSA-N 321.296 1.997 0 40 DDAB CCc1ccc(C(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 27754364 AFFFJEUKVQJTEY-UHFFFAOYSA-N 314.389 1.898 0 40 DDAB O=C(CCS(=O)(=O)C1CCCC1)NCCCn1cccn1 44949776 JJJWUYHETXCHLN-UHFFFAOYSA-N 313.423 1.137 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 56073306 IUKFIAHSYADKMF-GFCCVEGCSA-N 312.391 1.586 0 40 DDAB O=C(Nc1ncn(Cc2ccccn2)n1)c1n[nH]c2ccccc12 58331973 XCYZBZFSHCPDKJ-UHFFFAOYSA-N 319.328 1.850 0 40 DDAB C[C@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)[C@H]1CCCO1 27907535 CLIDIFGGKXXUSJ-TVQRCGJNSA-N 321.768 1.613 0 40 DDAB Cc1cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)no1 45038750 AEKHKFGUEDKQKQ-LLVKDONJSA-N 301.302 1.562 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1cnn3cccnc13)C2 72279549 CHGJKGJSHYMGML-UHFFFAOYSA-N 323.360 1.150 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 72281046 NVFXBKXTKKERBP-OAHLLOKOSA-N 312.373 1.338 0 40 DDAB CC(C)(C)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 10875135 JHBBVGWCEXMKNU-UHFFFAOYSA-N 310.419 1.541 0 40 DDAB CC(=O)N1CCO[C@H]2CCN(Cc3cncc(Cl)c3)C[C@@H]21 108535051 ARDRXDCEIIYMHC-GJZGRUSLSA-N 309.797 1.557 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1 3361839 DLVLYEKAACFCHQ-UHFFFAOYSA-N 310.419 1.953 0 40 DDAB Cn1nccc1/C=C/c1nc2ccccc2c(=O)n1CCC(=O)O 29736900 VTWVGLPRCUQDSM-VOTSOKGWSA-N 324.340 1.775 0 40 DDAB C[C@@H]1CN(C(=O)CCCn2cc(Br)cn2)CCO1 48325990 ABWPAWGEXUUEQL-SNVBAGLBSA-N 316.199 1.673 0 40 DDAB Cn1cnc(S(=O)(=O)Nc2cnc(Cl)cn2)c1Cl 97117312 NVELGEAEXDLCLK-UHFFFAOYSA-N 308.150 1.318 0 40 DDAB COc1ccccc1C1=NO[C@H](C(=O)NC[C@H]2CCCO2)C1 21778856 OKJRCCYTLZGHIN-ABAIWWIYSA-N 304.346 1.483 0 40 DDAB Cc1noc2ncc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)cc12 65436776 DFAHERLWVPXCAM-QWRGUYRKSA-N 318.377 1.370 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)N1CCC[C@@H](CO)C1 65440312 UPTSGPGYPAOCHD-GFCCVEGCSA-N 322.361 1.208 0 40 DDAB CC1=NN(C(=O)[C@@H](C)n2cc(Cl)cn2)[C@@](O)(C(F)(F)F)C1 6394912 REQOLVUWOUSIDT-XCBNKYQSSA-N 324.690 1.957 0 40 DDAB CS(=O)(=O)NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 65564660 LPKLJQBLNJHQNH-MRXNPFEDSA-N 324.446 1.973 0 40 DDAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(-n2cncn2)cc1 14701472 YVBWVJCXCVKVJI-NSHDSACASA-N 309.329 1.447 0 40 DDAB CN(CC1CC1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 96011029 HZYNMDNNAVANTP-AWEZNQCLSA-N 302.378 1.628 0 40 DDAB CN(C)C(=O)[C@H](Sc1nc(N)cc(N)n1)c1ccccc1 6830485 INBNVLAZJYLDHN-GFCCVEGCSA-N 303.391 1.563 0 40 DDAB C[C@@H](C1CC1)N(C(=O)Cn1cc(C(N)=O)nc1C1CC1)C1CC1 95419289 GIXFGFWVTVJXGT-JTQLQIEISA-N 316.405 1.649 0 40 DDAB CN1C(=O)C[C@@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1 95440515 ARBXGIDPMJKZHN-ZBFHGGJFSA-N 313.332 1.923 0 40 DDAB CCc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1 67262140 HGIADJXVDUFCAM-AWEZNQCLSA-N 300.362 1.739 0 40 DDAB COCCNC(=S)NC[C@@H](c1ccco1)N1CCCCC1 15348579 SAKRWDYJVBIAQS-ZDUSSCGKSA-N 311.451 1.917 0 40 DDAB CCOC(=O)c1ccc(OC[C@H](O)CN[C@H](C)COC)cc1 9313644 AQMQYLBMBZABBU-TZMCWYRMSA-N 311.378 1.228 0 40 DDAB O=S(=O)(NCCNC1Cc2ccccc2C1)c1cccs1 90603535 TZUSAXFILASMNS-UHFFFAOYSA-N 322.455 1.783 0 40 DDAB Cn1ccnc1-c1noc(NCc2ccc3c(c2)OCCO3)n1 95445201 AFKRYILVCNEHPO-UHFFFAOYSA-N 313.317 1.853 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)CCN2C(=O)CCC2=O)s1 96413935 YNLVLGBKCRXNTA-JTQLQIEISA-N 308.403 1.643 0 40 DDAB C[C@H](CCNC(=O)N[C@@H]1CC(C)(C)OC1(C)C)[S@](C)=O 96497025 HSECMHGPFHKLBS-SUTOTMHJSA-N 304.456 1.789 0 40 DDAB Cc1noc([C@@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)n1 69376740 GFNXJONYZAULQZ-SNVBAGLBSA-N 318.381 1.517 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)n2cncn2)c1 71869872 OIRFVTXRPPSTTK-LSDHHAIUSA-N 316.409 1.671 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCc2c(ncn2C)C1 71878976 UTFJNAWICXWVCZ-CYBMUJFWSA-N 310.401 1.756 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)n2cncn2)c1 71865851 CYOBUDKDDYWPRK-UONOGXRCSA-N 302.382 1.425 0 40 DDAB O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)Nc1cn[nH]c1 71884645 OEGHRDFXEBYCJQ-CHWSQXEVSA-N 318.764 1.922 0 40 DDAB Cc1cc(C)n(CC(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)n1 17732635 VFFYWSCOZUWGNP-RISCZKNCSA-N 307.394 1.738 0 40 DDAB O=C(c1ccco1)N1CCN(Cc2nnc(C3CC3)o2)CC1 71824634 QUDWBZPDKWCWKT-UHFFFAOYSA-N 302.334 1.498 0 40 DDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1cccc(Cl)c1 69810654 VLKKLLOTICRZSS-GFCCVEGCSA-N 317.794 1.969 0 40 DDAB Cc1nnc(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)o1 69842240 FBEMVQAJWWKNLA-CJNGLKHVSA-N 316.405 1.618 0 40 DDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccn2)cc1 9604240 PMBDEKDVNNKSFY-UHFFFAOYSA-N 319.386 1.426 0 40 DDAB N#Cc1ccc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 96688049 LZRCQALQNJCRNU-OAHLLOKOSA-N 320.352 1.623 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@H](C)O)cc1 95993522 GMDIKSOURPJQAV-IRSGEFJISA-N 316.401 1.821 0 40 DDAB Cc1nc(C2(NS(=O)(=O)c3c(C)noc3C)CCC2)no1 95953815 NUDPLTYUKCJAMC-UHFFFAOYSA-N 312.351 1.341 0 40 DDAB C[C@H](C(N)=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 74908037 CCDAQYBGUPBPRX-SNVBAGLBSA-N 310.785 1.363 0 40 DDAB C[C@H](Cc1cccs1)N(C)CC(=O)N[C@@H]1CCSC1=O 89904276 ACBFUKJPPOXMRQ-ZYHUDNBSSA-N 312.460 1.759 0 40 DDAB Cc1nnc(NC(=O)[C@H](C)NC(=O)c2ccccc2F)s1 67321082 HRZMFSJUAHKTQG-ZETCQYMHSA-N 308.338 1.743 0 40 DDAB O=C(CCc1ccc2c(c1)OCO2)NCCCN1CCOCC1 22688346 IVCNAVOTMIYCNZ-UHFFFAOYSA-N 320.389 1.186 0 40 DDAB O=C1COc2cc(C(=O)NCCc3ccc(O)nc3)ccc2N1 556858291 LUFFPMWSPMPNQZ-UHFFFAOYSA-N 313.313 1.091 0 40 DDAB COc1cc(C)c(S(=O)(=O)NCCN(C)C)cc1C(C)C 74934943 HMTBLKNYKVGPQK-UHFFFAOYSA-N 314.451 1.967 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](CO)[C@@H]1c1ccc(Br)cc1 218207320 ACLWSFCSOQOKEQ-GRYCIOLGSA-N 319.220 1.958 0 40 DDAB O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cccc(N2CCCC2=O)c1 565248663 BNLZUGJAJBEJGU-HAQNSBGRSA-N 302.330 1.406 0 40 DDAB Cc1cc(O[C@H]2CCN(C(=O)Cc3cccnc3)C2)nc(C)n1 606440822 HVWIEVXJZVWPAA-HNNXBMFYSA-N 312.373 1.711 0 40 DDAB Nc1nc([C@@H]2CCCCN2C(=O)CO)cc(C(F)(F)F)n1 72366620 OTJMKDYWQLIJES-QMMMGPOBSA-N 304.272 1.124 0 40 DDAB C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1c1ccccc1 74030615 AWSLQWIXBYFGIZ-GXTWGEPZSA-N 324.384 1.841 0 40 DDAB Cc1nc([C@@H]2CNCCO2)cc(N(C)CCn2ccnc2C)n1 72387089 CBYLGYMTUFTZBK-HNNXBMFYSA-N 316.409 1.087 0 40 DDAB COc1ccc(CCN(C)C[C@]2(O)CCCN(C)C2)cc1OC 46087347 VYRNULBUFYUAFK-SFHVURJKSA-N 322.449 1.635 0 40 DDAB O=C(O)[C@H]1CCCN1C[C@H](O)COCc1ccccc1Cl 568060103 RAEVCHGKCPRBBI-GXTWGEPZSA-N 313.781 1.767 0 40 DDAB CC[C@H](CO)NC(=O)C(=O)Nc1cccc(Br)c1 42645670 YZBOPNDLLSTMNA-SECBINFHSA-N 315.167 1.275 0 40 DDAB O=C(NCc1ncc[nH]1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 81385795 JWHLFVUVOITYBL-GFCCVEGCSA-N 319.409 1.390 0 40 DDAB Nc1cc(OC(=O)S(=O)(=O)Nc2ccccc2)ccc1O 87489295 YEODWJGZNRFPHA-UHFFFAOYSA-N 308.315 1.915 0 40 DDAB C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]1CO 225509984 UDUMQPDMELFSDM-GMTAPVOTSA-N 309.332 1.035 0 40 DDAB COC(=O)CSc1nnc(NC(=O)Cc2ccccc2)s1 224950058 PIMZMEMJLGBWGS-UHFFFAOYSA-N 323.399 1.984 0 40 DDAB Cc1cc(O)nc([C@@H](C)N2CCN(Cc3ccon3)CC2)n1 192604041 MXGZMIKYTSOIFA-GFCCVEGCSA-N 303.366 1.357 0 40 DDAB CCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1C(N)=O 96182132 YGIQKGLIHAJYHJ-UHFFFAOYSA-N 322.390 1.420 0 40 DDAB Cc1ccsc1C(=O)NC[C@H]1COCc2c(C)nnn2C1 96199347 LCNPFPRTYVZNEY-LLVKDONJSA-N 306.391 1.533 0 40 DDAB O=C(c1ccncc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042070 ADXZLIJYGMWYOG-HRCADAONSA-N 302.374 1.880 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2ncnc(NC3CC3)c2CC1 96255494 JHIPZECNVWANCD-CQSZACIVSA-N 302.378 1.157 0 40 DDAB CC[C@H](NC(=O)N[C@H](C)CN1CCCC1=O)c1ccncc1 96440509 NHOMQPRFCNPUJI-OCCSQVGLSA-N 304.394 1.843 0 40 DDAB Cc1cccc(C)c1NCC(=O)N(C)Cc1nnc(C)n1C 96426518 VNZGTCKTOLYPDS-UHFFFAOYSA-N 301.394 1.811 0 40 DDAB O=c1c2cnn(-c3ccccc3)c2nnn1Cc1cscn1 96466069 LXBUISMFHUJQCI-UHFFFAOYSA-N 310.342 1.482 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)C[C@H]2OCC[C@H]21 97953402 QBSMAHMYKJWWSG-GVDBMIGSSA-N 315.417 1.445 0 40 DDAB O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1cccs1 96296103 YWVQYFWBAIZDGU-NFAWXSAZSA-N 324.446 1.529 0 40 DDAB biogenic,in-vitro CN(C)CCN1CC[C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C1 96246107 RDAPMXKZSHJJQP-LSDHHAIUSA-N 319.424 1.781 0 40 DDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccsc2)[C@@H]2COC[C@@H]21 96185018 FLHAFAOVCSOMGO-MJBXVCDLSA-N 310.419 1.052 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)NC(C)C)C[C@@H]3C2=O)cs1 96245101 WMFOCGNUXBCDGL-YPMHNXCESA-N 322.434 1.460 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)Cc1ccon1 96427732 RBVPZFZFCHTSBO-DGCLKSJQSA-N 302.396 1.689 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 257251925 JSWFXRNAQFFYPG-CYBMUJFWSA-N 300.362 1.948 0 40 DDAB Oc1cc(CC[C@H]2CN(Cc3ccc(F)cn3)CCO2)ncn1 257268475 MLVSFEPWZULPLX-HNNXBMFYSA-N 318.352 1.550 0 40 DDAB CC(=O)N1CCC(Cc2cnc(-c3cnc(N)s3)cn2)CC1 257306294 STSBEVDSPWXBOH-UHFFFAOYSA-N 317.418 1.983 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)Cn2ccnc2)n1 257326001 WVJABJKSFSMAFC-OAHLLOKOSA-N 314.393 1.098 0 40 DDAB CC[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)c1c(C)nn(C)c1C 252572407 ZFUIQJLHHZFNIJ-MJBXVCDLSA-N 308.426 1.948 0 40 DDAB CC(C)C(=O)N[C@H]1CCN(CCc2ccccc2)CC[C@@H]1O 257251531 JRCXZBQFLYACDH-IRXDYDNUSA-N 304.434 1.827 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257310639 UFYBLUQMLLWDDK-NSHDSACASA-N 302.334 1.807 0 40 DDAB O=C(c1cccc2cccnc12)N1C[C@@H](O)[C@H](N2CCCC2)C1 257213572 CIDUPWUFRIMMIA-HZPDHXFCSA-N 311.385 1.516 0 40 DDAB Cc1cnc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)s1 257224668 FCUQKWACXVUOHG-JTQLQIEISA-N 304.375 1.555 0 40 DDAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cccnc1 96098593 KRFKXIZABRZQBH-UHFFFAOYSA-N 313.361 1.577 0 40 DDAB Cc1cc(C)n([C@H](CNC(=O)c2cn(C)nn2)c2ccco2)n1 575605138 MXEZICNSOBHDOD-CYBMUJFWSA-N 314.349 1.241 0 40 DDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)c2nccn2C)C1 585279159 WGDCEIQPLSUXHS-KRWDZBQOSA-N 315.373 1.730 0 40 DDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3ccno3)CCO2)c1 585275718 IODBWXGXCZHMHS-QGZVFWFLSA-N 316.357 1.429 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1Cc1ccc(Cl)cn1 585276791 JBHYHAWFGZJBHB-OAHLLOKOSA-N 311.813 1.852 0 40 DDAB Cn1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)n1 28779231 OPZWAQIHOOJJPQ-QPJJXVBHSA-N 307.331 1.319 0 40 DDAB CCc1nnsc1C(=O)NCCc1ccc2c(c1)OCCO2 31353068 LNOSNBUZBWIEID-UHFFFAOYSA-N 319.386 1.844 0 40 DDAB C[C@@H]1Cc2cc(CNC(=O)Nc3cc(=O)n(C)cn3)ccc2O1 931754883 DGHWUXYVTFEWBO-SNVBAGLBSA-N 314.345 1.425 0 40 DDAB O=C(OCCNc1ncccn1)c1cnn(-c2ccccc2)c1 72274870 GJAPGFVMNBQJPE-UHFFFAOYSA-N 309.329 1.931 0 40 DDAB CN(Cc1ncnn1C)C(=O)NC[C@H]1COc2ccccc2C1 73537917 OIEMZXQPNLGULV-LBPRGKRZSA-N 315.377 1.208 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CC[C@H]3CCCCO3)CCO2)n1 76044832 AQHFHBJKISSLNY-CHWSQXEVSA-N 308.382 1.362 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(=O)O 88376297 XMHMHCHSYVZVPS-ONGXEEELSA-N 313.737 1.419 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC2(CC2)C1=O 95803719 ZOATYAJHHSXDPC-CYBMUJFWSA-N 317.341 1.777 0 40 DDAB in-vitro CSc1nnc(CCNC(=O)Cc2ccc(F)cc2)n1C 5001785 RMJLZQRAHSHEBL-UHFFFAOYSA-N 308.382 1.578 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccccc1F 17031273 PKVUVXSAUSEJCB-VIFPVBQESA-N 306.293 1.347 0 40 DDAB CN1C(=O)N(C)C2(CCN(C(=O)c3cccs3)CC2)C1=O 16849895 YJDJJSRARUKMNL-UHFFFAOYSA-N 307.375 1.247 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCn2nc3c(c2C1)CCC3 253473119 RLRJWTPJQZDNSX-UHFFFAOYSA-N 322.390 1.181 0 40 DDAB CC(=O)OC(C)(C)C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390827035 DPVWERFDDAAQCC-CYBMUJFWSA-N 309.366 1.732 0 40 DDAB Cc1csc(=O)n1CC(=O)OCc1ccc(C(N)=O)cc1 16132659 REDCBIAHEYLYED-UHFFFAOYSA-N 306.343 1.061 0 40 DDAB c1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 139252521 MQMAKYIGIFXTQJ-UHFFFAOYSA-N 320.400 1.985 0 40 DDAB O=C(c1ccnc(F)c1)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056224380 HWJXKLOQUFXUJR-KBPBESRZSA-N 305.353 1.156 0 40 DDAB CN1CCO[C@H]2CN(C(=O)CCc3ccccc3F)CC[C@H]2C1 1565548249 WBMZVCJHEFIAAT-RDJZCZTQSA-N 320.408 1.937 0 40 DDAB COc1ccc(CNC(=O)N[C@@H](Cn2cncn2)C(C)C)cc1 1565523315 KFPNDRKIIHOFIL-HNNXBMFYSA-N 317.393 1.811 0 40 DDAB COc1cc(C(=O)N2CC[C@@]3(COc4ccccc43)C2)on1 2055793307 NQDITMPDWCNEGZ-INIZCTEOSA-N 300.314 1.860 0 40 DDAB CCc1nc(N)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1C 49411047 AKRVANDJYSEANT-UHFFFAOYSA-N 318.352 1.152 0 40 DDAB Cc1cc(N2CCN(S(=O)(=O)C3CC3)CC2)nc(C2CC2)n1 528116223 FSYDQPDPKFZKKE-UHFFFAOYSA-N 322.434 1.277 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)c3c[nH]c4ccccc34)C2)n1 585603554 ZZXMFBMRIVSXEL-UHFFFAOYSA-N 322.368 1.805 0 40 DDAB O=C1N[C@]2(COC3(CCNCC3)C2)Nc2ccc(Cl)cc21 12336936 JPJWPZZBEMQMPQ-OAHLLOKOSA-N 307.781 1.734 0 40 DDAB Cc1nnc([C@@H]2CCCN2C(=O)[C@H](C)N2CCSCC2)o1 96485668 QPUYUYBHBYNKJN-JQWIXIFHSA-N 310.423 1.479 0 40 DDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2COCCO2)cc1 30597833 WZDUBRNGZFLNJC-QBHGPPCGSA-N 312.369 1.688 0 40 DDAB CCOc1ccccc1CNC1CCN(S(C)(=O)=O)CC1 30656302 UTAUHBYWSXPCSW-UHFFFAOYSA-N 312.435 1.599 0 40 DDAB CCNC(=O)NC(=O)CSCCOc1ccc(OC)cc1 50249954 FMSKSJGCJPHMLV-UHFFFAOYSA-N 312.391 1.653 0 40 DDAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)O 40544933 OSZKNEFTQGUAIA-JTQLQIEISA-N 311.769 1.645 0 40 DDAB CO[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)C1 20866812 GOHDMVQCBHCDQZ-DGCLKSJQSA-N 307.346 1.820 0 40 DDAB CC(=O)Nc1cccc(CNC(=O)Cc2c(C)nn(C)c2C)c1 32360572 UGQCDGPXTMMINN-UHFFFAOYSA-N 314.389 1.854 0 40 DDAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(C(N)=O)CC1 32753249 GBBKIBWHAAKWPR-VIFPVBQESA-N 310.785 1.259 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCC1 21898558 ANANNODMZIACAN-JTQLQIEISA-N 300.355 1.115 0 40 DDAB C(=C/c1ccccc1)\CN1CCN(c2ccc3nncn3n2)CC1 69876807 JDPSQFMJTOZAJZ-QPJJXVBHSA-N 320.400 1.960 0 40 DDAB O=C(NC[C@]1(O)CCSC1)c1c[nH]nc1-c1ccccc1 78987135 KUXLPUJCMAWSPU-OAHLLOKOSA-N 303.387 1.675 0 40 DDAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cnc[nH]1 79022357 ITHWWXLPJRGJKV-LLVKDONJSA-N 304.737 1.598 0 40 DDAB Cc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 4185899 PUDALUBTECXADO-LLVKDONJSA-N 307.371 1.967 0 40 DDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 22765757 BVVAVFGBKCELBF-BXKDBHETSA-N 324.352 1.446 0 40 DDAB Cc1cc(NCC(=O)N2CCC[C@H](C)C2)ccc1-n1cnnn1 23057931 XSCNYPNSTQKGLF-LBPRGKRZSA-N 314.393 1.641 0 40 DDAB CN(CC[C@H]1CCCN1C)C[C@H](O)COCc1ccccc1 83877892 UPNUVZDCVWTFNC-MSOLQXFVSA-N 306.450 1.980 0 40 DDAB CCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10323967 MVDVNQCAYRVGQS-LLVKDONJSA-N 310.419 1.927 0 40 DDAB CNC(=O)C1CCN(CC(=O)Nc2cc(C(C)C)no2)CC1 24242883 MCUPBEGBGBCCED-UHFFFAOYSA-N 308.382 1.195 0 40 DDAB CC[C@@H]1CN(c2ccc3c(n2)CCC3=O)CCN1C[C@@H](C)O 519461578 JOIOXYONWQFUSO-CHWSQXEVSA-N 303.406 1.492 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)c3cc4c(s3)CCC4)CC2)N1 24464642 FNTJFCNKOQCICQ-UHFFFAOYSA-N 319.386 1.051 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)C1 43075960 LUEABNCLLSBGAI-SNVBAGLBSA-N 315.295 1.722 0 40 DDAB O=C1[C@H](N2CCS(=O)CC2)CCCN1c1cccc(F)c1 71909009 QGBLHOUGMGNTMQ-CQSZACIVSA-N 310.394 1.385 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)c2cc(C=O)n(C)c2)cc1 3218884 NOKIGQPURSGZFL-UHFFFAOYSA-N 306.343 1.265 0 40 DDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(F)c2)C1 57318829 BZEGGEYKKBCJNX-JSGCOSHPSA-N 322.380 1.829 0 40 DDAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C 57476790 RFDSFUVNJBUNPY-JTQLQIEISA-N 305.403 1.940 0 40 DDAB NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 10044255 LMOMKBUSHCWWIL-CYBMUJFWSA-N 324.789 1.845 0 40 DDAB Cc1nnc(NC(=O)CCn2cnc3sccc3c2=O)s1 12744937 JJPFEMAIUFBHJT-UHFFFAOYSA-N 321.387 1.647 0 40 DDAB NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C2CC2)C1 58171098 ZODXJIOMNKSPLI-CQSZACIVSA-N 301.390 1.732 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3ccsc3C)C[C@@H]21 108532253 GUNSFPDMKMPALQ-GJZGRUSLSA-N 324.446 1.618 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccsc1)N(C)C 44954829 MITLPANIIXEMSU-OCCSQVGLSA-N 321.450 1.935 0 40 DDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccncc1 44971502 RRVFFFVYFQDENB-OAHLLOKOSA-N 322.434 1.411 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)c1 20636298 GMVMXSUAUDOGHM-JTQLQIEISA-N 319.390 1.113 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N(C)C)c(F)c1 58357736 JBZZXYNQYYKORH-CMPLNLGQSA-N 307.369 1.618 0 40 DDAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CCCO1 28227747 LFPRNWNBHROHMA-QWHCGFSZSA-N 307.346 1.868 0 40 DDAB CC(=O)N1CCC(NC(=O)COc2ccc(C)cc2C)CC1 45457153 KWUQKALEGIMDEC-UHFFFAOYSA-N 304.390 1.809 0 40 DDAB CC1CCN(C(=O)CSc2nnnn2Cc2ccco2)CC1 11306362 BGXMVHLODGBLTA-UHFFFAOYSA-N 321.406 1.665 0 40 DDAB O=C(CN1CCOCC1)Nc1ccnn1Cc1ccccc1 28914100 UWMVXIOHRRPIGN-UHFFFAOYSA-N 300.362 1.202 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 46490481 JPVWCKUNZJGQGY-UONOGXRCSA-N 313.357 1.478 0 40 DDAB COC(=O)[C@H](C)CN(C)C(=O)c1cncn1-c1ccccc1 63247108 DVMWJLLDYYOISP-GFCCVEGCSA-N 301.346 1.753 0 40 DDAB CCCCOc1ccccc1/C=c1/sc2ncnn2c1=O 4351072 NSWPILCUKGVFFD-UKTHLTGXSA-N 301.371 1.878 0 40 DDAB CCOc1ccc(C[C@@H](CNC(=O)C2CCC2)C(N)=O)cc1 65465444 YUAVRPUKYXWKBG-AWEZNQCLSA-N 304.390 1.646 0 40 DDAB Cc1nnc([C@@H](C)N2CCCN(C(=O)c3ccncc3)CC2)o1 65540410 YTPNPJMYYMRDHF-GFCCVEGCSA-N 315.377 1.682 0 40 DDAB C[C@H](NC(=O)CN1CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 22816739 AZYHOSTXORKESL-ISOUWHGUSA-N 319.493 1.955 0 40 DDAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCO)ccc12 6659724 VQNYIJJXXICAIA-NSHDSACASA-N 319.357 1.621 0 40 DDAB O=C(CNc1cc(-n2cnnn2)ccc1F)NCc1ccco1 66469566 ZGWWAQYPNYDEDV-UHFFFAOYSA-N 316.296 1.123 0 40 DDAB COC(=O)c1ccccc1NC(=O)c1nc2ccccc2c(=O)[nH]1 28210328 IGAIYEZXUXYMTD-UHFFFAOYSA-N 323.308 1.962 0 40 DDAB CC(C)[C@@H](C(=O)Nc1ccnc2ccnn12)N1CCCC1=O 71888821 OPOFOJKUPKVXKA-AWEZNQCLSA-N 301.350 1.315 0 40 DDAB Cn1c(CN2CCC[C@H]2C2CCCCC2)cc(=O)n(C)c1=O 71811015 MOFIVTXCRGPKHV-HNNXBMFYSA-N 305.422 1.629 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc2c1OCO2 71857653 WZDUXNFJYRRVLC-FZMZJTMJSA-N 321.329 1.426 0 40 DDAB C[C@@H]1CN(C(=O)COC(=O)c2c(F)cccc2F)C[C@@H](C)O1 7981881 LJHICTWQWGIKGX-NXEZZACHSA-N 313.300 1.757 0 40 DDAB CSCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 71828430 OJLCTZJPMVMHPE-UHFFFAOYSA-N 311.382 1.865 0 40 DDAB C[C@@H]1CN(C(=O)CCN2C(=O)CSc3ccccc32)CCO1 71886859 RADZEUOZLKGVJS-GFCCVEGCSA-N 320.414 1.763 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H](c2ccccc2)O1 71827246 ROMNNLGSWVAPSN-YUELXQCFSA-N 323.414 1.410 0 40 DDAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(O)nn1 71883534 SOVKASJTCWLCRU-JTQLQIEISA-N 320.299 1.469 0 40 DDAB CC(=O)Nc1nnc(CCN2C(=O)c3ccccc3C2=O)s1 96319608 YUTUKUHPZPYPMR-UHFFFAOYSA-N 316.342 1.335 0 40 DDAB COc1ccc(Cl)cc1C(=O)N(C[C@H](C)O)C[C@H](C)O 96319297 QTZDRTUARSRZTI-UWVGGRQHSA-N 301.770 1.552 0 40 DDAB CC(C)N(C)C(=O)CN1CCC[C@@H](C(=O)N2CCCCCC2)C1 69582188 JRRHUOZSHNTZGD-MRXNPFEDSA-N 323.481 1.968 0 40 DDAB C[C@H]1CN(CCC(=O)NC2CCCCC2)CCN1C[C@@H](C)O 71879593 VNEGAGCMQMUXFN-LSDHHAIUSA-N 311.470 1.212 0 40 DDAB COCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1 69654883 DHOJKQYMXJPUSU-LRFDDAOPSA-N 324.446 1.688 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc2ccccc2c(=O)[nH]1 71793079 YABXSXCOEXSUCH-CYBMUJFWSA-N 315.373 1.419 0 40 DDAB CCn1ccnc1CNC[C@H]1CCCN1c1cc(NC)ncn1 72276626 XDTUXKIZNGTOLX-CYBMUJFWSA-N 315.425 1.493 0 40 DDAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 72237244 YDZWRRVVOXUYCL-UHFFFAOYSA-N 320.436 1.479 0 40 DDAB COc1cccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 72268915 UNSBTCKUIDTYHG-JKSUJKDBSA-N 304.390 1.366 0 40 DDAB CCc1nc([C@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)no1 72232037 BCUKTIHBCNADBT-LBPRGKRZSA-N 303.366 1.314 0 40 DDAB COC(=O)CCN(C(=O)c1nc2ccccn2c1F)C(C)C 72310181 QYJANNQLJUTKBR-UHFFFAOYSA-N 307.325 1.887 0 40 DDAB CCN(C[C@@H](O)c1ccc(C)cc1)S(=O)(=O)c1cnn(C)c1 95433344 AIPKGHHPMFGSQX-OAHLLOKOSA-N 323.418 1.473 0 40 DDAB COC[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)CCO1 89409955 PIXMJBOEBUQEEW-QILLFSRXSA-N 301.386 1.764 0 40 DDAB Cc1csc(CN(C)S(=O)(=O)CC[C@@H]2CCCO2)n1 89705570 GQWJQOBUATVAOW-NSHDSACASA-N 304.437 1.782 0 40 DDAB CC(C)OC[C@@H](O)CN1CCN(Cc2cccc(O)c2)CC1 89887789 XDIWEKHJQJQUIM-KRWDZBQOSA-N 308.422 1.296 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C(N)=O)c1ccc(F)cc1 89948733 HKUISZCBEUSFBV-WQVCFCJDSA-N 321.396 1.589 0 40 DDAB O=C(c1ccc(Cn2ccnn2)cc1)N1CCn2cncc2C1 529404932 VEGWFLVENYSXLO-UHFFFAOYSA-N 308.345 1.179 0 40 DDAB Cc1ccccc1-c1cnc(Cn2nnc3c(cnn3C)c2=O)o1 534529017 MLSFDNPEVXJGGJ-UHFFFAOYSA-N 322.328 1.537 0 40 DDAB O=C(NCCn1ncccc1=O)c1cc(-c2ccccc2)on1 38510241 MNXMWOKQSAGFBE-UHFFFAOYSA-N 310.313 1.328 0 40 DDAB CCn1c(NCc2cnc(C)s2)nc2c(C)nn(C)c2c1=O 32651928 BNRVOGLTHQEDQN-UHFFFAOYSA-N 318.406 1.835 0 40 DDAB CCOC(=O)[C@H](C)Nc1c(C)n(C)n(-c2ccccc2)c1=O 79354806 APTHBYMZNHNNEF-NSHDSACASA-N 303.362 1.848 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCCC[C@@H]1Cc1ccccc1 72369992 XGSFBRATMTXMAG-MRXNPFEDSA-N 324.446 1.661 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H]1CN(Cc1ccccc1)C1CC1 79415625 ZLOPRPKMUOQPSM-YOEHRIQHSA-N 301.434 1.989 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1 35118865 QYKSSJCMRIKXJL-GFCCVEGCSA-N 313.375 1.009 0 40 DDAB O=C(NCCN1CCCCC1)C(=O)Nc1cccc2[nH]ccc12 31813064 VNUJJPRYJJKCNT-UHFFFAOYSA-N 314.389 1.709 0 40 DDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)C(N)=O 79334781 IAQPXJBVPAZBGZ-NSHDSACASA-N 311.426 1.089 0 40 DDAB CCOC(=O)C1=NN(c2ccccc2OC)[C@](C)(C(=O)O)C1 71979538 SLOVPQIBDBEZKS-HNNXBMFYSA-N 306.318 1.668 0 40 DDAB CC(=O)N1CCC(c2c(CN(C)C)cnc3cc(C)nn23)CC1 72354955 HRKJPGSMXYKSKD-UHFFFAOYSA-N 315.421 1.825 0 40 DDAB Cn1c(=O)n2n(c1=O)[C@H]1c3cc4ccccc4cc3[C@@H]2[C@H]2C=C[C@@H]21 45071338 ABQNWZCLYGDTBL-MGBSGCIJSA-N 317.348 1.810 0 40 DDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Cl)cs1 194302891 XCUAMXKVEIMMQU-JTQLQIEISA-N 302.783 1.265 0 40 DDAB O=C(NCc1cnn2c1CCCC2)c1cccc(-n2cnnn2)c1 225607351 SUKRCVRYLBJEEH-UHFFFAOYSA-N 323.360 1.125 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)c1cn(-c2cccc(F)c2)nc1C 571766215 WNMAHCTZKCKTNC-SNVBAGLBSA-N 304.325 1.184 0 40 DDAB O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ncn(-c2ccccc2)n1 572653627 OVEZYTZIMKVJLP-XPKDYRNWSA-N 312.373 1.952 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@@H](Oc2cnccn2)C1 225792851 JTADCFQFMKYPMK-CQSZACIVSA-N 313.357 1.844 0 40 DDAB Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cc1F 195544562 VKDNCIOAUFETLU-BXKDBHETSA-N 304.362 1.679 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc([S@@](C)=O)n2)c1 95438979 CHPIVRLUGGODIO-GTJPDFRWSA-N 309.391 1.072 0 40 DDAB Fc1cnc(N2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2ccnc2)nc1 96082626 JDRAHXOWXAXKNN-KWCYVHTRSA-N 303.341 1.496 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 96415634 SZTZGIGSAZCYJV-YUELXQCFSA-N 324.446 1.452 0 40 DDAB CN(C)C(=O)N[C@@H]1COCCC12CCN(Cc1ccoc1)CC2 96218798 TVDNIMWFMRNWGY-OAHLLOKOSA-N 321.421 1.922 0 40 DDAB CCN1CCCN(c2cc(C(C)=O)ccc2S(C)(=O)=O)CC1 96501070 YGGXAJKNQBUACZ-UHFFFAOYSA-N 324.446 1.825 0 40 DDAB Cc1ccc2c(c1)NN=C(C(=O)N1CCCCC1)S2(=O)=O 96511666 YHMBYPPNIBCFKP-UHFFFAOYSA-N 307.375 1.520 0 40 DDAB O=C([C@H]1COC[C@H]2CN(Cc3nccs3)C[C@H]21)N1CCCO1 96040800 NRJWSRQCONBSOZ-UPJWGTAASA-N 323.418 1.001 0 40 DDAB O=C([C@H]1CN(Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCO1 96041195 NJORSOYFTSXFBV-HRCADAONSA-N 317.389 1.082 0 40 DDAB O=C(c1ccnnc1)N1CCc2c(COCC3CC3)cncc2C1 96189405 ABZSVCQAFAZJAS-UHFFFAOYSA-N 324.384 1.997 0 40 DDAB COc1c(Br)c(C(=O)Nc2cc(C)on2)nn1C 96181051 CDDNOFZSBHVZOZ-UHFFFAOYSA-N 315.127 1.740 0 40 DDAB O=C(CN(C[C@H]1CCCO1)C(=O)C1CC=CC1)N1CCCC1 96443215 JELIOQOHDPNBAG-OAHLLOKOSA-N 306.406 1.583 0 40 DDAB CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21 96043298 CODIVUAGNYRSDH-HZSPNIEDSA-N 304.394 1.233 0 40 DDAB C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(-c2nnnn2C)c1 96427930 ASUIOZVGSPGPFV-GXFFZTMASA-N 321.406 1.344 0 40 DDAB Cn1c(SC[C@@H](O)C(F)(F)F)nnc1-c1cccnc1 97378027 JCXGLOROAAAKPX-MRVPVSSYSA-N 304.297 1.892 0 40 DDAB CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 247956430 SUVWILXZHKHWHN-ZDUSSCGKSA-N 302.334 1.086 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCc1cccnc1 257207638 BIOKGZIJAYMNHU-CQSZACIVSA-N 300.362 1.646 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CC3CCCC3)CCO2)n1 257216839 CWHUWDMVMADKTE-ZDUSSCGKSA-N 305.378 1.971 0 40 DDAB CN1[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257243501 IHHQBTMAQXJDBO-MPTYRVRUSA-N 302.422 1.747 0 40 DDAB Cc1cc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)on1 257211818 CANRHPSXFOGLGZ-ZDUSSCGKSA-N 302.334 1.247 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2ccoc2)cc1 84952791 AUKGOXDSDBRSQO-LLVKDONJSA-N 323.370 1.976 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cccc3c2OCCO3)[C@H]1O 257276625 NUNORCNUPPKULC-YRGRVCCFSA-N 307.346 1.116 0 40 DDAB Cn1cnc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 257211559 BZIMFOKUVQLRNQ-RDJZCZTQSA-N 315.373 1.465 0 40 DDAB Cc1csc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1 575605985 BSOJRVMRWNZGES-UHFFFAOYSA-N 317.414 1.922 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@H]2C 585097500 KNUMMGKBOUXBTI-LBPRGKRZSA-N 318.377 1.976 0 40 DDAB NC(=O)C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 30499993 FSIZFXKAJUKQRG-UHFFFAOYSA-N 314.744 1.582 0 40 DDAB CN(C)[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 952844596 AIDRRXVATZRAEM-OVYGPGRDSA-N 315.373 1.137 0 40 DDAB biogenic,in-vitro O=C(O)C[C@@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCO1 92238027 YEJWEUMPRNWQRT-PWSUYJOCSA-N 307.371 1.578 0 40 DDAB CO[C@]1(CNC(=O)[C@@H]2COc3ccccc3O2)CCSC1 96097583 YOKFWNZHJNXOSW-ZFWWWQNUSA-N 309.387 1.465 0 40 DDAB C/C=C/C=C/C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 8133054 KAJGAYPAUGZXCS-MQQKCMAXSA-N 311.359 1.388 0 40 DDAB CCN1C(=O)CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N)nc1 19713145 NKAFIZNPQCUBBV-CHWSQXEVSA-N 302.378 1.279 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C[C@H](C)O1 9815778 QNJBJGHUIYZSTG-UWVGGRQHSA-N 323.418 1.670 0 40 DDAB Cc1ccc(C)c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 5019337 FLEJSLWZQRFWIU-LBPRGKRZSA-N 313.444 1.699 0 40 DDAB CC(C)c1nc(N2CCN(C(=O)C3CC3)CC2)nc(O)c1F 1888834224 DNDDHUGUPAPLEN-UHFFFAOYSA-N 308.357 1.503 0 40 DDAB O=S(=O)(NC1CCN(Cc2cccc(F)c2)CC1)C1CC1 1259277839 HWUFHARLINWHHA-UHFFFAOYSA-N 312.410 1.872 0 40 DDAB Cc1cccc(N2CCN(C[C@H]3CC(=O)N(C)C3)CC2)c1C 1848581622 HSVZRWZTSRZWCU-INIZCTEOSA-N 301.434 1.904 0 40 DDAB CC1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)c2cnco2)CC1 2056225244 LXIUCRJEMACWIZ-BLLLJJGKSA-N 303.362 1.538 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1C)C2 1565553578 FBBWDLQYNDEZIB-RHSMWYFYSA-N 320.389 1.043 0 40 DDAB Cc1nc(CN2CC(c3nc(-c4ncccn4)no3)C2)cs1 49483202 UOTLMWXEYWAVNR-UHFFFAOYSA-N 314.374 1.891 0 40 DDAB CC(C)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 20028137 WAUUWXUCLBVRGA-UHFFFAOYSA-N 305.378 1.552 0 40 DDAB CN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CCCC1 40475553 MEDXJBZXDHLWCW-UHFFFAOYSA-N 321.402 1.126 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2cccnc2)CC1 40485482 GDJNWOZKEBGGPT-UHFFFAOYSA-N 314.389 1.573 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100648960 RZSODNLUFWZQTQ-NBUQLFNLSA-N 314.341 1.781 0 40 DDAB Cc1cc(CN(C)C(=O)CNC(=O)c2ccc(F)cc2F)no1 31658187 CHPIJPZNDFWCEL-UHFFFAOYSA-N 323.299 1.650 0 40 DDAB C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CCC2 40528152 LLIRZKDRSYCLJQ-CYBMUJFWSA-N 324.446 1.174 0 40 DDAB C[C@]12CSCC(=O)N1[C@H](C(=O)NCc1ccco1)CS2 40554104 WYTXEQFOTAUHAT-GWCFXTLKSA-N 312.416 1.303 0 40 DDAB COc1ccc2cc(C(=O)NCCCN3CCOCC3)[nH]c2c1 20533638 SDFYXEREZHHUSJ-UHFFFAOYSA-N 317.389 1.629 0 40 DDAB O=C1[C@H]2CCC3(C[C@@H]2C(=O)N1Cc1ccccc1)OCCO3 101113554 ANYOKHUCYYVPQO-KBPBESRZSA-N 301.342 1.715 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 32093985 VVMZSEAEYQJHJR-MRXNPFEDSA-N 307.357 1.887 0 40 DDAB CC(C)(CCS(C)(=O)=O)CNC(=O)N1C[C@H]2[C@H](C1)C2(C)C 101365763 GNMVVEPQFZELFG-RYUDHWBXSA-N 316.467 1.745 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c(C)c1 32392167 OUDJCAQHXVOXFJ-MRXNPFEDSA-N 318.398 1.914 0 40 DDAB C[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1Cl 21324081 CNWHQRINSGXFFD-NSHDSACASA-N 323.824 1.715 0 40 DDAB Cc1noc(C)c1COC(=O)Cn1c(=O)n(C)c2ccccc21 21930476 LQTFFNDFGRNGSK-UHFFFAOYSA-N 315.329 1.688 0 40 DDAB Cc1cc(C)nc(NC(=O)NCCNC(=O)c2ccco2)c1 97143055 IZYSFRFLYNWCLO-UHFFFAOYSA-N 302.334 1.843 0 40 DDAB CS(=O)(=O)c1ccc(-c2noc(CC3(O)CCCC3)n2)cc1 97138652 JEEDGWNPCOVIDX-UHFFFAOYSA-N 322.386 1.988 0 40 DDAB CCOc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 78789150 XPPCCRRCVRENJJ-IRXDYDNUSA-N 318.417 1.757 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22618544 CJAYCYRXUIXIAA-NWDGAFQWSA-N 318.373 1.725 0 40 DDAB COCC(=O)N(C)c1nnc(-c2cccc(N(C)C)c2)s1 4929780 HLPQXDZJWREABL-UHFFFAOYSA-N 306.391 1.880 0 40 DDAB CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 6349204 BWMDPCRPFJAWBO-UHFFFAOYSA-N 308.762 1.381 0 40 DDAB CCN(CC)C[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1 6938121 LPIQQJLSJXSUGF-KRWDZBQOSA-N 319.449 1.147 0 40 DDAB Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 72300195 FAKAEDKRXZKPBC-KGLIPLIRSA-N 313.423 1.022 0 40 DDAB CCc1nc(CC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)cs1 55280291 YOUOOFPGADHEHG-UHFFFAOYSA-N 314.374 1.489 0 40 DDAB Cc1ccc2c(=O)cc(C(=O)N3CCN(C)CC3)oc2c1C 54297889 VGRXGYOQPQJOPS-UHFFFAOYSA-N 300.358 1.797 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(-c2ccccc2Cl)[nH]n1 25112321 NWKHQUWDTFUEOV-UHFFFAOYSA-N 320.780 1.986 0 40 DDAB Cc1nc(O)c2c(n1)CCN(C(=O)C1[C@H]3CCCC[C@H]13)CC2 100213762 UIORQIOGVQUVPR-RYUDHWBXSA-N 301.390 1.854 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 26715260 UWODUYCDZAOEKF-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 101708548 QSQNZABPAGTEFF-OWLDWWDNSA-N 315.325 1.919 0 40 DDAB Cc1noc(CCCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)n1 97372726 NDROVICHCRFJFM-UHFFFAOYSA-N 315.333 1.187 0 40 DDAB COC(=O)c1ccccc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12620774 YBPCCMWYEGMGRT-TXEJJXNPSA-N 306.362 1.521 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)[nH]n1 44720977 VGIHAEWBHDXGDR-NSHDSACASA-N 319.386 1.241 0 40 DDAB COCCn1cc(NC(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)cn1 48251819 OOGZONBEFOAHBZ-OKILXGFUSA-N 323.441 1.629 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3nccs3)CC2)on1 44894430 FIQJYXBFSMTIEV-UHFFFAOYSA-N 307.379 1.200 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)COC)cc1 58264326 SOCXMYSTZCAWRQ-NSHDSACASA-N 315.391 1.519 0 40 DDAB N[C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 36297526 UPLRYTYNTOQRNG-CYBMUJFWSA-N 312.341 1.943 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)C1 45303823 UOIZIQHRAZVOAF-JTQLQIEISA-N 315.295 1.722 0 40 DDAB O=C(COC(=O)c1cnccn1)NCc1ccccc1Cl 3316993 BZLMBGLMWNNPKX-UHFFFAOYSA-N 305.721 1.603 0 40 DDAB COc1cc(CNC(=O)N[C@@H]2COc3ccccc3C2)ccn1 45521665 JIJLREJYDNAWRJ-AWEZNQCLSA-N 313.357 1.893 0 40 DDAB COC(=O)c1ccccc1NC(=O)N1CSC[C@@H]1C(=O)OC 2447188 XIZGXVPYZDWKHI-LLVKDONJSA-N 324.358 1.553 0 40 DDAB CCC(CC)[C@H](CNC(=O)c1cnc(C)cn1)N1CCOCC1 36705345 XXCAYESKUZRGKF-INIZCTEOSA-N 320.437 1.652 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C(C)C)cc1 22348884 ZVACYTSSXZQJHU-ZDUSSCGKSA-N 312.435 1.776 0 40 DDAB NC(=O)CSCC(=O)NCC1(c2ccc(F)cc2)CCCC1 48350517 XPPWJDZAOPZIMR-UHFFFAOYSA-N 324.421 1.972 0 40 DDAB Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)N1CCOCC1 12000236 DROPYYYEOMTTHB-UHFFFAOYSA-N 314.385 1.786 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 3461137 LXCWXRKSWNBTOT-SJKOYZFVSA-N 317.389 1.677 0 40 DDAB O=C(NCc1ccco1)C1CCN([C@H]2CCCC[C@@H]2O)CC1 95976594 NPDFQCZTMNWXNB-HOTGVXAUSA-N 306.406 1.911 0 40 DDAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 3612687 SICYXLFGOZDBMP-INIZCTEOSA-N 318.417 1.998 0 40 DDAB OCCN(Cc1nnnn1-c1ccccc1)C1CCCCC1 71090279 QTAFMBTVJHAOPR-UHFFFAOYSA-N 301.394 1.789 0 40 DDAB CCOc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1 3886993 SQSVKVRFAMTGKB-UHFFFAOYSA-N 309.318 1.021 0 40 DDAB Cc1ccc2oc(C(=O)N3CCS(=O)(=O)C[C@@H]3C)cc2n1 95399744 JSTVNAXJVFXBKI-JTQLQIEISA-N 308.359 1.395 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(F)c1 4017104 IHGRWMXWMNFSOB-CYBMUJFWSA-N 308.309 1.643 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 6218247 YQZFHMQJEMSVCG-CQSZACIVSA-N 309.753 1.999 0 40 DDAB CC[C@H](C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65477768 GXRVNRQUXPHYRU-HNNXBMFYSA-N 317.433 1.493 0 40 DDAB COCCNC(=O)[C@H](C)N1CCC(Nc2ccc(F)cc2)CC1 95431820 XQIDDLBIACFYJC-ZDUSSCGKSA-N 323.412 1.853 0 40 DDAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@H]1CCCO1 14092777 CFRPPTZXXVHKIL-VXGBXAGGSA-N 324.450 1.780 0 40 DDAB O=C(NCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 14136244 QWLFDMKGVVLROL-UHFFFAOYSA-N 313.357 1.947 0 40 DDAB CCCCn1nnnc1Cn1nnc(-c2cccc(Cl)c2)n1 5506262 HEAAXIDRULURGE-UHFFFAOYSA-N 318.772 1.828 0 40 DDAB O=C(O)[C@H](Cc1ccco1)[P@](=O)(O)CN1CCCCC1 4858047 JSZZIJUIFCDBLV-LBPRGKRZSA-N 301.279 1.989 0 40 DDAB Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cn1 4985553 JIOUOLRTJVLQQN-UHFFFAOYSA-N 319.386 1.098 0 40 DDAB Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2N)cn1 9423310 IMXBQSNHOJGGPD-UHFFFAOYSA-N 312.373 1.522 0 40 DDAB CCN(CC)C(=O)c1ccc(NC(=O)C2=COCCO2)cc1 7408489 NKUOZVNOHKJABR-UHFFFAOYSA-N 304.346 1.995 0 40 DDAB CN(C(=O)CS(=O)(=O)c1ccc(F)c(Cl)c1)C1CC1 68142008 YGUHIOIXCRJQMB-UHFFFAOYSA-N 305.758 1.874 0 40 DDAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(C3CCCCC3)C[C@H]21 67897327 YDBLBZHTMONTES-CABCVRRESA-N 318.421 1.164 0 40 DDAB biogenic,in-vitro CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cn1 68802047 KVZPGDFZUCCRHG-ZDUSSCGKSA-N 304.394 1.877 0 40 DDAB NC(=O)C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 8317774 RYRTVYQKLYTJHU-UHFFFAOYSA-N 314.389 1.867 0 40 DDAB O=c1[nH]c(CSc2nnnn2C2CC2)nc2ccccc12 8307768 PJVFMPGCRXPNOP-UHFFFAOYSA-N 300.347 1.537 0 40 DDAB c1cnn(C[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)c1 69418035 PNACSBAXHYSTCM-GOSISDBHSA-N 323.400 1.970 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cncn1)NCc1cccs1 69582831 PTCDBAJVICBCLO-ZDUSSCGKSA-N 319.434 1.511 0 40 DDAB C[C@H](O)CN1CCN([C@H](C)C(=O)NC2CCCCCC2)CC1 69740253 PCOPETMRNBHXBY-LSDHHAIUSA-N 311.470 1.212 0 40 DDAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(C)no2)cc1 18003597 IINVEPGQDUKAME-UHFFFAOYSA-N 303.318 1.702 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1nc(-c3ccco3)no1)CC2 69872232 STRBYVFXEDTXST-SNVBAGLBSA-N 314.349 1.588 0 40 DDAB CCC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69870519 SEASTAXXYAZKPU-LBPRGKRZSA-N 314.382 1.505 0 40 DDAB C[C@H](O)CN1CCC(CN(C)Cc2ccc(C(N)=O)cc2)CC1 69901366 ZOFQGNIZSAWZFA-AWEZNQCLSA-N 319.449 1.310 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 69917809 ZAZATCNPZRTJLQ-ZDUSSCGKSA-N 322.836 1.897 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@H](n3ccnc3C)C2)c1 69969750 AKYJNOLNRUKOBF-HNNXBMFYSA-N 301.394 1.950 0 40 DDAB CS(=O)(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 71903203 WATQZZJLOPKDID-GFCCVEGCSA-N 322.352 1.867 0 40 DDAB Cc1cc(C)n(CC(=O)NC[C@@H]2COC3(CCCCC3)O2)n1 95986976 BPQACRMNAAPTAI-CQSZACIVSA-N 307.394 1.692 0 40 DDAB CN(Cc1nc2ccccc2c(=O)n1C)C1(C(N)=O)CCCC1 97034153 NSRNIGMTRFOLIZ-UHFFFAOYSA-N 314.389 1.163 0 40 DDAB Cc1ccccc1CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269115 ASFVRQUBFYFBPU-DLBZAZTESA-N 302.418 1.595 0 40 DDAB CCc1nc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cs1 72269333 BOJVWRMFSQZYIC-UONOGXRCSA-N 323.462 1.306 0 40 DDAB CCn1nc(C)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1C 72269447 ABOJEAYMJLWFNC-LSDHHAIUSA-N 320.437 1.191 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)CCCn2cccn2)no1 72299182 RBVXPCWYURWJRW-GFCCVEGCSA-N 303.366 1.972 0 40 DDAB COc1ccc(CCNC(=O)[C@@H]2CN(C)CCO2)c(Cl)c1 89385623 NHCQGDLXXGOMMK-AWEZNQCLSA-N 312.797 1.338 0 40 DDAB CN(CCn1cnnc1)CC(=O)NCc1ccc(Cl)s1 89346556 ILXCAKMLEOBMNV-UHFFFAOYSA-N 313.814 1.241 0 40 DDAB Cc1nc(NC(=O)[C@H]2CNC(=O)N2)sc1-c1ccccc1 89562607 YMMALZRCENVUSW-SNVBAGLBSA-N 302.359 1.738 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1nccc2ccccc12 89919976 YOLWEELEUWEHCH-VXGBXAGGSA-N 318.398 1.882 0 40 DDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)c1ccccc1 28206709 BMVJSWYXXSCELJ-LLVKDONJSA-N 316.382 1.925 0 40 DDAB CC[C@@H](C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1cnnn1 1565520467 SJNLPZOVOVJRNC-YGRLFVJLSA-N 317.349 1.305 0 40 DDAB Cn1c(=O)n(CCC(=O)NC[C@H]2CCCO2)c2ccccc21 32901368 BCHCORFAWJSOEL-GFCCVEGCSA-N 303.362 1.025 0 40 DDAB Cc1nccc(N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)n1 72379713 KEUAFZDUCQAYEC-MRXNPFEDSA-N 304.394 1.439 0 40 DDAB CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@H](C)CO)ccc21 77695119 DLUCRIWPMOJCIB-GFCCVEGCSA-N 317.389 1.733 0 40 DDAB CC(C)[C@H](N)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 79410024 VITPGSWQMNLWRH-BPCQOVAHSA-N 313.442 1.922 0 40 DDAB CCc1[nH]c(C(=O)N2Cc3cncnc3C2)c(C)c1C(=O)OC 565903900 LGECPZSZPUEKMM-UHFFFAOYSA-N 314.345 1.618 0 40 DDAB CC(=O)c1ccc(CCNC(=O)c2cccn(C)c2=O)s1 225670425 GLJSEVKDWMUWME-UHFFFAOYSA-N 304.371 1.622 0 40 DDAB Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)N(C)C 47481147 FQTCXUCCTWMMTG-UHFFFAOYSA-N 308.359 1.885 0 40 DDAB C[C@@](O)(CNc1ccnc2c(F)cccc12)CN1CCOCC1 225589918 MMIYZIHKSKBZGP-QGZVFWFLSA-N 319.380 1.869 0 40 DDAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)O)C3)ncn2)n1 40351601 RKQFFSUPYNNWRQ-LBPRGKRZSA-N 301.350 1.580 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(COC)cc1 83028403 FCGPXXGPYHKLFD-VXGBXAGGSA-N 313.419 1.910 0 40 DDAB O=C(CNc1ccc(N2CCCC2=O)cc1)N1CCOCC1 40466266 JQDUGXVEGQURCS-UHFFFAOYSA-N 303.362 1.084 0 40 DDAB COc1ccc(CC(=O)N(CC(=O)O)C2CCOCC2)cc1 531747724 MAFWTMRZUBVVMT-UHFFFAOYSA-N 307.346 1.330 0 40 DDAB C[C@@]12CC[C@@](C)(O1)[C@@H]1[C@@H]2[C@@]2(C)O[C@@]1(C)[C@@H](C(=O)O)[C@@H]2C(=O)O 222155438 QIDVGQRHVGEPJG-CNPMSRSISA-N 310.346 1.523 0 40 DDAB C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O)[C@@H]1C[C@@H]2CC[C@@H]1C2 225634153 OJVWXXOEBPCHRM-QMTYPEAHSA-N 307.390 1.806 0 40 DDAB O=C(Cn1cc(COc2ccccc2F)nn1)N1CCCC1 227167832 NZTIUGSFALDJOQ-UHFFFAOYSA-N 304.325 1.619 0 40 DDAB O=C(O)c1nn(-c2ccc(Cl)cn2)nc1Br 89263471 DAAMEXWABFUXJT-UHFFFAOYSA-N 303.503 1.776 0 40 DDAB CC(C)(CN1CCOCC1)NC(=O)Cc1c[nH]c2ncccc12 331373888 FXHYTBUTNDPILX-UHFFFAOYSA-N 316.405 1.332 0 40 DDAB COc1ccc(CCNC(=O)[C@H]2CCCN(C)C2)cc1OC 96629230 ZGGYLIWDCRAWSA-AWEZNQCLSA-N 306.406 1.704 0 40 DDAB CN(C)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2CC1CC1 96143913 SGABDRIUJQELFB-WMZOPIPTSA-N 300.402 1.985 0 40 DDAB Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1c3ccccc3C[C@H]1O)CC2 334159457 DIGRAPIHZGZSEK-CSMYWGQOSA-N 311.385 1.598 0 40 DDAB COCCN1CCC2(CC1)[C@@H](c1ccncc1)CC(=O)N2C 96069796 YJFLQKSYCLIBJN-OAHLLOKOSA-N 303.406 1.508 0 40 DDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)N4CCCC4)O[C@H]3C2)s1 96040991 IXDBWWYXBAKDBM-AVGNSLFASA-N 322.434 1.453 0 40 DDAB CCSCCN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 96424139 KVXKIEDWMOBPHJ-JTQLQIEISA-N 300.449 1.838 0 40 DDAB CC(C)CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NC2CCC2)C1 96253145 WFRSFLBHRCKNAT-HZSPNIEDSA-N 309.410 1.110 0 40 DDAB O=C(c1ccoc1)N1CCO[C@@H]2[C@@H](Cn3cnnc3)CC[C@H]21 96055371 PEFVAOPRSSYASJ-MRVWCRGKSA-N 302.334 1.191 0 40 DDAB CNC(=O)[C@@H]1COC[C@H]2CN(CCOCc3ccccc3)C[C@@H]12 97953304 RIHXEQMVFFCPKX-BRWVUGGUSA-N 318.417 1.144 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H]2CCOC2)cc1 96430682 OXKOPJRYGRAIGM-CVEARBPZSA-N 316.401 1.639 0 40 DDAB CN(C)C(=O)CNC(=O)N1CCC(N(C)c2ccccc2)CC1 96454987 XBVAVSDABPCTPP-UHFFFAOYSA-N 318.421 1.385 0 40 DDAB Cc1nccnc1N1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 333456900 ZSYUQJKKMBHOEF-OAHLLOKOSA-N 323.400 1.559 0 40 DDAB O=C(c1ccc2nnnn2c1)N1CCN(Cc2ccccc2)CC1 96232836 XTMYFPPHZVSTEV-UHFFFAOYSA-N 322.372 1.082 0 40 DDAB CSC[C@@](C)(O)CNC(=O)[C@@H](C(C)C)N1CCCCC1 96414662 FVAZNKQWGONCOP-HIFRSBDPSA-N 302.484 1.727 0 40 DDAB O=C1[C@H](N2CCCS(=O)(=O)CC2)CCCN1c1ccccc1 96406597 AYLMPEOFGXOYEK-OAHLLOKOSA-N 322.430 1.303 0 40 DDAB CO[C@H]1CSC2(C1)CN(C(=O)c1nn(C)c3ccccc13)C2 248058691 PIBXUGVIMAYWLS-LLVKDONJSA-N 317.414 1.920 0 40 DDAB Cn1cccc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257261766 LISDMBBPUDIXSD-KRWDZBQOSA-N 314.389 1.181 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 24690290 KRJIUHMSMJKOJN-ZDUSSCGKSA-N 314.382 1.370 0 40 DDAB Cc1cc(CCC(=O)O)cc([C@H]2CCCN2S(C)(=O)=O)n1 257213598 CIGSVINRTISGGP-CYBMUJFWSA-N 312.391 1.504 0 40 DDAB CC(=O)NCc1cnc([C@@H]2CCN(Cc3ncccc3C)C2)[nH]1 257238849 HMTQYRZKVSXNOO-CQSZACIVSA-N 313.405 1.739 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1O)c1ccccn1 257287884 PRWLVUVNZBRLNB-HZPDHXFCSA-N 315.348 1.196 0 40 DDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2cncs2)C1 257262773 LMVQGFAFOTUZMC-NSHDSACASA-N 318.402 1.638 0 40 DDAB COCC(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257297063 RFQASOOYULZIAQ-IRXDYDNUSA-N 318.417 1.043 0 40 DDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc3c(nc2O)CCC3)C1 257263726 LRDTZWGIZHOGTF-LBPRGKRZSA-N 312.373 1.937 0 40 DDAB Cc1ccccc1C(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1 585098991 PPHSILKDAXIVQW-UHFFFAOYSA-N 308.403 1.103 0 40 DDAB COCCOc1cccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1 69456485 DKPKJELDCQKJAB-CQSZACIVSA-N 318.417 1.926 0 40 DDAB O[C@@]1(COc2ccc(F)c(F)c2)COCCN(C2CCC2)C1 585281193 GIMCCJAVSSNZPP-MRXNPFEDSA-N 313.344 1.959 0 40 DDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)C2CCOCC2)C1 585279557 ZWYGYDFAZLDSRY-GOSISDBHSA-N 319.401 1.764 0 40 DDAB OCc1ccc(CN2CC3(C[C@@H](CO)CN3CC3CC3)C2)cc1 585093810 GYKJSKRJQPOFES-GOSISDBHSA-N 316.445 1.458 0 40 DDAB COc1c([C@H]2CCCN2C(=O)Cn2cc(C)cn2)c(C)nn1C 72234415 WQZNNNDGADFMHL-CYBMUJFWSA-N 317.393 1.606 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)CN1 48154351 DTZNQDFENRXGJL-CYBMUJFWSA-N 321.446 1.309 0 40 DDAB c1cc2c(s1)CCN(C1CN(c3ccc4nncn4n3)C1)C2 1776001415 QZFXATLDWGYBTE-UHFFFAOYSA-N 312.402 1.433 0 40 DDAB CN(C(=O)CCNC(=O)[C@@H](O)c1ccccc1)c1ccccc1 72957464 YMELBVQSAHBJOH-KRWDZBQOSA-N 312.369 1.889 0 40 DDAB COC(=O)c1ccc(NC(=O)N[C@@H]2CCCNC2=O)c(C)c1 75582199 SSLOTBLGPSOPEE-GFCCVEGCSA-N 305.334 1.182 0 40 DDAB O=C(c1c[nH]nc1-c1ccncc1)N1CCC[C@H]1Cn1cccn1 75604363 MWNUUAKCXAIWLF-AWEZNQCLSA-N 322.372 1.973 0 40 DDAB O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccn2cncc2c1 95446918 GJKMBAKKZPYBFM-ZBFHGGJFSA-N 314.389 1.317 0 40 DDAB COC(=O)[C@H]1CCC[C@H]1C(=O)NCCc1cn2ccccc2n1 95994672 FNGFGPDATNUIFN-KGLIPLIRSA-N 315.373 1.582 0 40 DDAB O=C(COc1cccc(Cl)c1)N1CCOC[C@@H]1c1ncon1 95981466 PDVVBDLINHGDEJ-GFCCVEGCSA-N 323.736 1.702 0 40 DDAB CNC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1F 97102627 XSQGRZZWDUJLPP-WCQYABFASA-N 307.369 1.659 0 40 DDAB CC(C)[C@@H]1CN(C(=O)C2(CS(C)(=O)=O)COC2)[C@@H]1C(C)C 1548715176 GWCWLGNBUWFXEK-QWHCGFSZSA-N 317.451 1.187 0 40 DDAB O=C(C1CCC1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615128318 FKXGVFCDFUDIEZ-JKSUJKDBSA-N 313.438 1.708 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(OC(C)C)cc2)C1=O 14095064 DAQSVAYFHHGXCD-INIZCTEOSA-N 319.361 1.839 0 40 DDAB O=c1c(O)c(-c2c(O)cccc2O)oc2cc(O)cc(O)c12 14644239 NULZZCUABWZIRV-UHFFFAOYSA-N 302.238 1.988 0 40 DDAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1 16321365 QHDWIRMETNMGCB-ZIAGYGMSSA-N 312.391 1.227 0 40 DDAB CC(C)CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19446562 AXQLZLXVHHZBTI-CYBMUJFWSA-N 302.422 1.874 0 40 DDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCC1)CC2 19706406 XZTQPBYKDIWUBI-AWEZNQCLSA-N 317.437 1.620 0 40 DDAB O=C(NCC[C@H]1CCCO1)N1CCN(Cc2ccccn2)CC1 159090943 DULHQZANPNJTKH-MRXNPFEDSA-N 318.421 1.478 0 40 DDAB CC(C)N1C(=O)C[C@@H](Nc2nccc(C(F)(F)F)n2)C1=O 101455163 ILCKXQFCKDUJOB-SSDOTTSWSA-N 302.256 1.443 0 40 DDAB Cc1cccn2c(=O)nc(SCC(=O)N3CCCCC3)nc12 4503992 JLALSCSAIGTCDC-UHFFFAOYSA-N 318.402 1.503 0 40 DDAB O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(O)CC1 4373761 YIYVZVVVIHUOTC-LBPRGKRZSA-N 321.352 1.097 0 40 DDAB c1ccc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)cc1 1888882129 FLENWWPIXAQDRU-KBPBESRZSA-N 306.373 1.697 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)NCc2cccc(Cl)c2)cc1 15584730 VBKULMLJFSOGMY-UHFFFAOYSA-N 324.789 1.917 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@H]2CN(c3ccc(F)cn3)C[C@@H]21 2087137597 VSIWRJXNNBAKHC-GWCFXTLKSA-N 311.382 1.223 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(F)cc1 425485 OPYOEBYYVSPSNJ-UHFFFAOYSA-N 312.304 1.247 0 40 DDAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 4538526 LQZKMGKHBLJRIQ-UHFFFAOYSA-N 315.358 1.983 0 40 DDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CCC1 2055738629 FLLYISQDEJPQJU-GFCCVEGCSA-N 317.389 1.684 0 40 DDAB CCOCCn1c(=N)sc2cc(S(C)(=O)=O)ccc21 100969272 KUGBNGNPMZSWNP-UHFFFAOYSA-N 300.405 1.622 0 40 DDAB CCOc1ccccc1S(=O)(=O)Nc1cnc2ccnn2c1 225576001 HRHWHEQJQTXUGL-UHFFFAOYSA-N 318.358 1.929 0 40 DDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@]1(O)C=CCCC1 606440368 HBNWDVHPKUFFKP-KRWDZBQOSA-N 318.373 1.530 0 40 DDAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1C 40549127 LWYCJRKVRQFETD-QWHCGFSZSA-N 310.419 1.578 0 40 DDAB COc1ccccc1C1(CNC(=O)[C@H]2CCC(=O)N2)CCCC1 41570053 DREFZCNTTWWVLH-CQSZACIVSA-N 316.401 1.902 0 40 DDAB O=C(Nc1ccnc2ccnn12)c1ccc(Cn2cncn2)cc1 76640339 XMOQMVYJARYHRE-UHFFFAOYSA-N 319.328 1.621 0 40 DDAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)Nc1cn[nH]c1 46801436 ZEGVOPFXJMQHHQ-HNNXBMFYSA-N 315.377 1.605 0 40 DDAB O=C(Cc1cccs1)Nc1nonc1C(=O)N1CCCCC1 78875570 SJEGWOCLWVFBRH-UHFFFAOYSA-N 320.374 1.938 0 40 DDAB CCSCCC(=O)NC1CCN(CC(=O)NC(C)C)CC1 53503244 KYKCXLWPTUIXJV-UHFFFAOYSA-N 315.483 1.235 0 40 DDAB C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CCN(C)C1=O 78932624 NHMXLMHTRYCNJL-BXUZGUMPSA-N 320.364 1.724 0 40 DDAB COC[C@H](C)NC(=O)Cn1c(S)nnc1-c1cccc(C)c1 22624606 MNJLIHOGNIFMHJ-NSHDSACASA-N 320.418 1.693 0 40 DDAB Cc1csc(=O)n1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C 103915679 HSUPPYQEQNBTNB-KOLCDFICSA-N 311.407 1.623 0 40 DDAB CC(=O)N1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 42194401 TVHCFYVTPQLICF-UHFFFAOYSA-N 316.405 1.376 0 40 DDAB O=C(O)CCNS(=O)(=O)c1cccc(Br)c1 2631700 JBXKHAAFCMCAFR-UHFFFAOYSA-N 308.153 1.202 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccccc4)C(=O)[C@H]13)O2 4044228 KNDMWRNUGYJRIY-OIKQGAJOSA-N 313.353 1.703 0 40 DDAB biogenic CC(=O)Nc1cccc2c1CCN(c1ncnc3c1cnn3C)C2 54125422 CLDZHQWZGGGOQK-UHFFFAOYSA-N 322.372 1.884 0 40 DDAB C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCCc1cccc(F)c1 97095019 ACBLDUOKKIIFAW-CZUORRHYSA-N 324.396 1.940 0 40 DDAB COc1ccc(F)cc1C(=O)OCC(=O)NC[C@H]1CCCO1 23577813 XUHXYQZZVONPPR-LLVKDONJSA-N 311.309 1.286 0 40 DDAB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 6954885 BLFRHNYFXQIOOX-UKTHLTGXSA-N 323.308 1.757 0 40 DDAB COc1cc(S(=O)(=O)NCCCOC(C)C)ccc1F 8049260 JHVWEEIWTKCZAP-UHFFFAOYSA-N 305.371 1.928 0 40 DDAB C[C@@H](C(N)=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8132358 ISEZQNAFPHZAME-QMMMGPOBSA-N 319.283 1.329 0 40 DDAB Cc1cc2n(n1)[C@](O)(C(F)(F)F)C[C@@](O)(C(F)(F)F)N2 1160867 UUONNMIEVWELAI-RNFRBKRXSA-N 305.178 1.465 0 40 DDAB CSc1nsc(SCC(=O)Nc2nncs2)n1 8767829 SLMYXBYAKALDHN-UHFFFAOYSA-N 305.435 1.842 0 40 DDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cscn1 97086384 KPWMVBWSYSJDFZ-LLVKDONJSA-N 302.359 1.464 0 40 DDAB Cc1cnn(C[C@@H]2CN([C@@H](C(N)=O)c3ccccc3)CCO2)c1 106665768 CRFMDSWSSOXBMU-JKSUJKDBSA-N 314.389 1.119 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCCN2C[C@@H](O)Cn2cccn2)n1 106787091 YIEJEAZGYRONSG-HZPDHXFCSA-N 318.425 1.007 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NS(=O)(=O)N1CCOCC1)C2 107310671 YOFDNFDQPPRORU-OBJOEFQTSA-N 302.440 1.368 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)[C@H]1CO 107539879 PFXGYPQGHQUNHI-ONGXEEELSA-N 304.799 1.517 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 9995106 NCVMHYYODFKBOX-UHFFFAOYSA-N 317.311 1.712 0 40 DDAB Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N(C)C)C2)cn1 108528729 ZNIVHRUYFIWMGG-NVXWUHKLSA-N 302.422 1.865 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 108388744 MOJBGUOBUIHDCG-HUUCEWRRSA-N 323.414 1.754 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)c1 20635170 XZTVWIYHHUQXHX-VXGBXAGGSA-N 322.386 1.317 0 40 DDAB O=S(=O)(NC[C@H]1CCCNC1)c1ccc(Cl)cc1F 44502606 PBRPFALHZLKOME-VIFPVBQESA-N 306.790 1.757 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCN(C[C@H]2CCCO2)CC1 57942184 BSHCOVGEPUWMGI-SJLPKXTDSA-N 320.433 1.223 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 48021144 HYDIKDYGDBLGAU-RYUDHWBXSA-N 306.362 1.855 0 40 DDAB CCN1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 44867452 LXKFCUFTAZULIN-UHFFFAOYSA-N 316.854 1.751 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)N(C1CC1)C1CCN(CC)CC1 58261069 AIZQZXZXCQHSHB-CYBMUJFWSA-N 309.454 1.624 0 40 DDAB Nc1nc(Cl)cc(NC[C@@H](O)COc2ccc(F)cc2)n1 57149285 FLBOJLRJNRAKGF-SECBINFHSA-N 312.732 1.703 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 27338859 WCEBZHNLSXETKK-QWRGUYRKSA-N 314.407 1.277 0 40 DDAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 58314753 YOOIGXMEUAKNJD-SNVBAGLBSA-N 315.295 1.151 0 40 DDAB Cc1csc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 65467164 XMHNXIIHCQXSJQ-LLVKDONJSA-N 306.395 1.346 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)NCc2cc[nH]n2)c1 48253800 YOEXYOYMRFHFPA-SNVBAGLBSA-N 304.350 1.987 0 40 DDAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1C(=O)CNC1=O 12728994 OJUAWKYAECEPEE-CYBMUJFWSA-N 320.389 1.584 0 40 DDAB C[C@@H](Sc1nncs1)C(=O)NC(=O)NCC(F)(F)F 25959150 OMAGHIYJIXDJMT-SCSAIBSYSA-N 314.314 1.407 0 40 DDAB CCCOc1ccc(CNC(=O)N2CC[C@@H](C(N)=O)C2)cc1 45880414 QRQYTLPXUJAZGK-CYBMUJFWSA-N 305.378 1.492 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3307867 FNJKYAZLGADRMK-QGZVFWFLSA-N 315.373 1.152 0 40 DDAB COc1ccc(COC(=O)c2nc3nccc(C)n3n2)cc1F 3383684 BJQYSTWDSFFURD-UHFFFAOYSA-N 316.292 1.937 0 40 DDAB COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 12863225 WRUQWQMRRKHIEC-QMMMGPOBSA-N 324.362 1.067 0 40 DDAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)O)cc2oc1=O 4046470 RIIKYORKAXVOAH-JTQLQIEISA-N 319.313 1.378 0 40 DDAB biogenic CC(=O)O[C@H]1OCCO[C@@H]1NC(=S)Nc1ccc(C)cc1 13555790 LDUGLUSMNLSPLG-QWHCGFSZSA-N 310.375 1.544 0 40 DDAB CC(C)CN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1 13734534 MHOCGTWEWBWELO-UHFFFAOYSA-N 322.434 1.879 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCCCC1)C2=O 4308877 TUKUYSPIVTWMNM-DYVFJYSZSA-N 321.421 1.890 0 40 DDAB Cc1nc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cs1 65403967 IPEOSYVSUUNBPN-UHFFFAOYSA-N 304.379 1.054 0 40 DDAB CCOc1ccc2nc(S(=O)(=O)CC(=O)OC)nc(C)c2c1 5302679 DLIDIDCMKLMTOP-UHFFFAOYSA-N 324.358 1.284 0 40 DDAB C[C@H]1C(=O)N(CC(=O)NC(C)(C)C)C(=O)N1c1ccccc1 14170303 ZIEVQTCUAWJBKN-NSHDSACASA-N 303.362 1.758 0 40 DDAB Cc1cc(C)c(NS(=O)(=O)c2cn(C)c(C)n2)c(C(=O)O)c1 65613923 NRIYEMVBFQHMDC-UHFFFAOYSA-N 323.374 1.844 0 40 DDAB COCCNC(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1 65605257 CIGIUPUCKBEVNS-UHFFFAOYSA-N 319.405 1.717 0 40 DDAB CC(C)c1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4504796 HDUUCWYRRMZHCE-CYBMUJFWSA-N 311.403 1.492 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1OC 14220929 NXUZTMSCSOSUGF-ZYHUDNBSSA-N 315.391 1.550 0 40 DDAB CC1(C)OC[C@@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)O1 14515429 CKECEWYVEGPMPE-WRWGMCAJSA-N 302.367 1.810 0 40 DDAB CC(=O)[C@@H](NC(=O)CSc1nnc(N)s1)c1ccccc1 4999563 KGDLMFFWDMKKDK-LLVKDONJSA-N 322.415 1.659 0 40 DDAB CC(C)N(C(=O)COC(=O)c1cc[n+]([O-])cc1)c1ccccc1 5962010 MPLWXIDLEXURPL-UHFFFAOYSA-N 314.341 1.918 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)NC(C)(C)C 7292550 AKURKSQANLJTGO-UHFFFAOYSA-N 316.361 1.647 0 40 DDAB O=C(CC[C@@H]1CCCCO1)NCCc1nc(C(=O)O)cs1 90939525 FJSQVRLKRNXZKV-JTQLQIEISA-N 312.391 1.849 0 40 DDAB COc1ccc(Cl)cc1C(=O)N(C[C@H](C)O)C[C@@H](C)O 96319295 QTZDRTUARSRZTI-AOOOYVTPSA-N 301.770 1.552 0 40 DDAB NC(=O)Nc1cccc(C(=O)N2CCC(C3OCCO3)CC2)c1 69283354 YISGTPAZYMLFIO-UHFFFAOYSA-N 319.361 1.402 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H](C)N1 70076876 BNTDIJPDQLBGGM-RKDXNWHRSA-N 306.790 1.850 0 40 DDAB O=C(NCCSc1nncn1C1CC1)OCC(F)(F)F 69349090 PIRMJCLXISDBNU-UHFFFAOYSA-N 310.301 1.994 0 40 DDAB C[C@@H]1CCCCN1C(=O)CCNC(=O)c1cnn2cccnc12 69350835 GYUWQZIQCXBGAR-GFCCVEGCSA-N 315.377 1.250 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[S@](=O)C1 84101441 KRUPUTFOTRPGBF-BMLIUANNSA-N 307.824 1.448 0 40 DDAB O=C(CN1CCC[C@H]1CO)Nc1ccccc1N1CCCC1=O 69627164 FQTZVWDTEISDFV-ZDUSSCGKSA-N 317.389 1.209 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@H]1C)C2 69631038 CEEKTVPRYLLASB-ZUZCIYMTSA-N 314.345 1.157 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)CC2CCCCC2)CC1 69739966 PIFPQPNPCCOSEG-MRXNPFEDSA-N 312.454 1.498 0 40 DDAB C[C@H](NC(=O)CN1CCC[C@@H]1Cn1cccn1)c1ccco1 69744062 IAORZXVMOVMGLW-UONOGXRCSA-N 302.378 1.818 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1 69778294 VLQJKURAIUMVKV-CYBMUJFWSA-N 324.388 1.966 0 40 DDAB NC(=O)CN1CCCN(C(=O)[C@H]2CCCc3ccccc32)CC1 71829328 RDKVNXBOGOVJMD-INIZCTEOSA-N 315.417 1.126 0 40 DDAB CCNC(=O)N1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 69807796 JWBUUYNDWIUUAP-INIZCTEOSA-N 315.417 1.980 0 40 DDAB CCOc1ncccc1C(=O)N[C@H]1CCc2nc(C)cn2C1 97198802 BIFMSTIJSGCGAK-LBPRGKRZSA-N 300.362 1.730 0 40 DDAB O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1CCCN1C(=O)c1cccs1 84436844 STCNKLSFUMRBHP-RWMBFGLXSA-N 322.430 1.772 0 40 DDAB CC(=O)c1ccccc1NC(=O)N1CCCC[C@H]1CNC(N)=O 95462306 MGBCQWREURGNLB-LBPRGKRZSA-N 318.377 1.944 0 40 DDAB CCN1CCO[C@H](C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 73846493 BOIZOWMNBIXUFE-WBVHZDCISA-N 320.408 1.937 0 40 DDAB CN1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)CC1=O 73955548 CHJSLIULQRLRFS-AWEZNQCLSA-N 316.401 1.329 0 40 DDAB Cc1cc(F)c(S(=O)(=O)NC(=O)c2cscn2)cc1F 89570504 VULVULNKIZPEKG-UHFFFAOYSA-N 318.326 1.848 0 40 DDAB Cc1csc(=O)n1CCC(=O)N[C@H](C)c1nnc2n1CCC2 89702596 MYACCCSDCBWZSZ-SNVBAGLBSA-N 321.406 1.023 0 40 DDAB O=C(Nc1cccc2cccnc12)N1CCOC[C@H]1CCO 89808041 KUTYJKWYFDQNAT-CYBMUJFWSA-N 301.346 1.850 0 40 DDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C)C[C@@H]1C 89960399 YDHXVLVMOOVSSD-ZDUSSCGKSA-N 324.446 1.646 0 40 DDAB CN(C)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 26483096 PJRBMUBCJPSEJR-RYUDHWBXSA-N 311.432 1.406 0 40 DDAB COc1ccc(OC)c(C(=S)NCCN2CCOCC2)c1 408575210 SWJOOEOKFZXTRA-UHFFFAOYSA-N 310.419 1.301 0 40 DDAB COc1cccc(-c2cc(CNC(=O)[C@@H]3CCC(=O)N3)no2)c1 38753375 SFSHJWKRQFVPSC-ZDUSSCGKSA-N 315.329 1.245 0 40 DDAB Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 556481366 NAGAPCCXNCLBNF-DOMZBBRYSA-N 317.389 1.723 0 40 DDAB C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C[C@@H](O)C2)[C@H](O)C[C@H]1C[C@@H](O)CC[C@]31C 123374975 IQWPIVUYONOUOY-LSCGJCDBSA-N 322.445 1.901 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 34115039 ZNTAMLNNPDZFSI-NFAWXSAZSA-N 323.389 1.322 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)N[C@H](C)c2c(C)nn(C)c2C)c1C 78996701 RAVBQVVONNWMQM-SNVBAGLBSA-N 317.393 1.238 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 72378771 KISHQLVPXSGSKN-ZDUSSCGKSA-N 321.406 1.211 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2ccc3ncccc3c2)CCO1 72379660 FXYMVTVLDPHTGM-SFHVURJKSA-N 313.401 1.914 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)C(C)C)CCN1CCc1ccccc1 72350901 SNMVPZJUYODLFW-MRXNPFEDSA-N 317.433 1.144 0 40 DDAB Cc1cc(C)n(C[C@@H](C)NC(=O)N(C)CC2CCN(C)CC2)n1 78441116 GCXGXPAKWHUOLR-CQSZACIVSA-N 321.469 1.872 0 40 DDAB CN(C)c1ncc2c(n1)CN(C1CC(C)(C)NC(C)(C)C1)C2=O 46088791 SYIKRIVMCFXPCW-UHFFFAOYSA-N 317.437 1.808 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1OC 226044797 CMOIWOVNJURPEL-UHFFFAOYSA-N 314.407 1.379 0 40 DDAB CCOc1ccc(S(=O)(=O)NCc2ccc[nH]2)cc1C(=O)O 225587585 OUESEOTUEIMEKB-UHFFFAOYSA-N 324.358 1.590 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3c(C)n[nH]c3C)C2)nn1 225464628 CGALGIKOYXLVSQ-ZDUSSCGKSA-N 315.377 1.809 0 40 DDAB Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCN2)n(-c2ccccc2)n1 97234223 XOVMBTYSMCHMHG-SUMWQHHRSA-N 312.417 1.980 0 40 DDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)N(C)C)C2 96039573 LQJJNWGUIVIVGB-GOEBONIOSA-N 313.442 1.117 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)N(Cc1ccccc1)CC1CCC1 96410541 DNYQQDTZHNTSNS-CYBMUJFWSA-N 324.446 1.753 0 40 DDAB COCC[C@@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 96455052 SGJKIZBWRVQMRI-GHMZBOCLSA-N 311.348 1.689 0 40 DDAB COC(=O)c1ccc2c(c1)CCCN2C(=O)[C@H](C)n1cncn1 96405860 XVJDIHZDHXJUFN-NSHDSACASA-N 314.345 1.605 0 40 DDAB CCN1C[C@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 97953426 IGDQHYFRPTZAOC-BPLDGKMQSA-N 308.447 1.906 0 40 DDAB CCN1CCNC(=O)C12CCN(C(=O)Cc1cccs1)CC2 96230161 FICBEJCFOKEVTF-UHFFFAOYSA-N 321.446 1.104 0 40 DDAB CC1CCN(C(=O)c2ccccc2OCc2nnnn2C)CC1 96101390 KLTWPRJHWSMQPE-UHFFFAOYSA-N 315.377 1.661 0 40 DDAB CS(=O)(=O)CCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 96468645 HSUWRQQGVXKZOP-KGLIPLIRSA-N 315.435 1.992 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccsc1)OCC2 96044301 BURQTGAYQMAXJQ-CYBMUJFWSA-N 321.402 1.635 0 40 DDAB COc1c(C(=O)O)cc(C(=O)O)c(OC)c1Br 96509959 PXLSXJDJLPQKGY-UHFFFAOYSA-N 305.080 1.863 0 40 DDAB CCCn1ccnc1CN1CCO[C@H](c2nc(C)cn2C)C1 257239235 HONPQHKWQFTCKL-AWEZNQCLSA-N 303.410 1.909 0 40 DDAB CC(=O)N1CC2(CCN(Cc3ccncc3)CC2)C[C@]1(C)CO 257286915 PNQDNGBZUWRSPG-QGZVFWFLSA-N 317.433 1.667 0 40 DDAB O=C([C@@H]1CCc2ccccc2O1)N1CC(Nc2ncccn2)C1 253471610 DJVVVAZYBAHPDJ-HNNXBMFYSA-N 310.357 1.493 0 40 DDAB COCCN1CC[C@H](c2nc(O)cc(-c3cccnc3)n2)C1 257261537 LHTTZQIGKJWZDG-ZDUSSCGKSA-N 300.362 1.680 0 40 DDAB CN(C)c1nccnc1C1CCN(CC2(O)CCOCC2)CC1 257223246 DWNKTLGVXKPKFI-UHFFFAOYSA-N 320.437 1.264 0 40 DDAB COCC(=O)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1 69440703 ULDNNFCLKWODNN-UHFFFAOYSA-N 314.389 1.163 0 40 DDAB COc1ccc(C(=O)O)cc1NS(=O)(=O)C[C@@H](C)OC 282284752 VHKBDVZXZPCACG-MRVPVSSYSA-N 303.336 1.170 0 40 DDAB O=C(NCCc1cccs1)c1ccc(-n2cncn2)nn1 96097894 VHSJHKIMJGNLLN-UHFFFAOYSA-N 300.347 1.091 0 40 DDAB COc1ccccc1[C@@H](CNS(=O)(=O)c1cccnc1)OC 96384847 FYDHQHKGFBMSFJ-OAHLLOKOSA-N 322.386 1.756 0 40 DDAB Cc1cc(NC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)sn1 575620456 RAXUHILZBKZBPR-VIFPVBQESA-N 304.375 1.697 0 40 DDAB O=C(COc1ccccc1F)NCCOCCn1cccn1 575618656 DWNYNBLXAUISAL-UHFFFAOYSA-N 307.325 1.234 0 40 DDAB O[C@@]1(COc2ccccc2)COCCN(c2ncccn2)C1 585277328 UPXVMSBKQPGFKR-MRXNPFEDSA-N 301.346 1.123 0 40 DDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1cccs1)C2 585110765 CMQXDEMKZUWNLW-CYBMUJFWSA-N 316.430 1.813 0 40 DDAB COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 32912734 BNMRTGQXYGLJBR-LDYMZIIASA-N 315.778 1.499 0 40 DDAB CC1CCN(C[C@H](O)Cn2cnc3ccccc3c2=O)CC1 71825029 NNWAEVQQPJZHNK-AWEZNQCLSA-N 301.390 1.489 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 49036616 XDRGJASMBCDPOI-BRZBPJHZSA-N 300.424 1.009 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCS(C)(=O)=O)cc1 56880545 BOPXNWGUQFIVBY-GXFFZTMASA-N 324.402 1.056 0 40 DDAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 1068642539 FNHHIVQOGGWFGP-ZDUSSCGKSA-N 324.812 1.736 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(C)C[C@H]1C 89562867 JZEOKAHIPMNHLK-SNVBAGLBSA-N 317.418 1.685 0 40 DDAB COC1(CO)CCN(c2cncc(Br)c2)CC1 390833060 BKCGTTVMESSQBJ-UHFFFAOYSA-N 301.184 1.822 0 40 DDAB C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)C[C@@H](C)O1 96494573 LHOCGKDSAHIYHV-MJBXVCDLSA-N 306.410 1.299 0 40 DDAB CNS(=O)(=O)CCCN(C)Cc1cc(C)ccc1OC 95395012 PGQADZGFAYLMGC-UHFFFAOYSA-N 300.424 1.375 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326223 AKCKODPZRJOLDY-XJKSGUPXSA-N 320.408 1.881 0 40 DDAB O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(Cc2ccccc2)C1 15674022 VYAILTUAEGUCMR-HIFRSBDPSA-N 323.356 1.835 0 40 DDAB biogenic,in-vitro CCC(=O)Nc1ccc(SCC(=O)NC[C@@H]2CCCO2)nn1 11739043 WKDOGANDEMTRDA-JTQLQIEISA-N 324.406 1.212 0 40 DDAB Cc1nnsc1C(=O)N1CCC[C@H](Oc2cnccn2)C1 225471045 CINXFHGYIQHBHH-JTQLQIEISA-N 305.363 1.320 0 40 DDAB CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1 616628710 CLEYUZYSMOVCMJ-NSHDSACASA-N 315.414 1.720 0 40 DDAB COc1ccccc1-c1nn(CN2CCOCC2)c(=S)n1C 23381584 GXKAUTZBVAOLLB-UHFFFAOYSA-N 320.418 1.916 0 40 DDAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CNCCCO 2096026 YVHMDUOTURLDTR-DOTOQJQBSA-N 317.433 1.101 0 40 DDAB biogenic O=C(O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1C(=O)O 2694349 QYIOCTSNKRPMET-UHFFFAOYSA-N 315.207 1.742 0 40 DDAB O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@H]1[C@@H]2OCC1CC1 2055738965 DSELDTXGMLQBTA-JKIFEVAISA-N 302.374 1.264 0 40 DDAB O=C(CN1CCC2(CC1)C[C@@H](N1CCCC1)CO2)N1CCCC1 2055835591 PBEYINVKOGTNKF-MRXNPFEDSA-N 321.465 1.328 0 40 DDAB Cc1nc2ncccc2c(=O)n1C1CN(C(=O)OC(C)(C)C)C1 1775974573 KBPPAGZDYZUFHK-UHFFFAOYSA-N 316.361 1.892 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(CC2CC(F)(F)C2)C1)C1CC1 2086861483 TWWIZNLZAOHZCH-LLVKDONJSA-N 308.394 1.578 0 40 DDAB Cc1cc(C(=O)NCc2ccc(-c3ccnn3C)nc2)n(C)n1 575620153 PXOKBHMAUQKGAQ-UHFFFAOYSA-N 310.361 1.454 0 40 DDAB Cn1cccc(C(=O)N2CC[C@@H](n3cnc4ccccc43)C2)c1=O 575615234 CETWPCCBMJLFFZ-CYBMUJFWSA-N 322.368 1.822 0 40 DDAB O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCCC2)C1 585602510 FGBWKZXOFYYMCQ-UHFFFAOYSA-N 317.433 1.748 0 40 DDAB Cc1cnc(C(=O)N[C@H]2CCc3c(cnc4cc(C)nn34)C2)cn1 618256715 LKKVVULQXUBFKY-ZDUSSCGKSA-N 322.372 1.423 0 40 DDAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\SC(=O)NC1=O 100149952 WDKUQPOSYZGRIV-QBQSQJOESA-N 301.327 1.892 0 40 DDAB Cc1nc(COc2ccccc2C(=O)N2CCO[C@@H](C)C2)no1 40485515 SDEKERAPIJJOLQ-NSHDSACASA-N 317.345 1.818 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 40467975 BREPIMCXUBSWCQ-NSHDSACASA-N 315.366 1.286 0 40 DDAB O=C(NCCc1ccsc1)N1CCN(c2ncccn2)CC1 40511861 GRNDCKWRJSNVTG-UHFFFAOYSA-N 317.418 1.612 0 40 DDAB OC1=c2cc3c(cc2=N[C@@H](c2ccc4c(c2)OCO4)C1)OCO3 101414168 FFYMZNQKYVLQJN-LLVKDONJSA-N 311.293 1.575 0 40 DDAB CCOCCCNC(=O)Cn1c(=O)n(CC)c2ccccc21 21973077 CUZRWQDEKTYBTF-UHFFFAOYSA-N 305.378 1.366 0 40 DDAB CC(=O)N1CCC(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)CC1 46882208 PDUKHBXFDONMEP-KBPBESRZSA-N 309.454 1.339 0 40 DDAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)Nc1nncs1 46955037 MJWXUXQYGNUZGY-SSDOTTSWSA-N 309.317 1.544 0 40 DDAB CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1cc(C)ccc1OC 61181524 CLMWUDAEUOEHIT-NSHDSACASA-N 315.391 1.877 0 40 DDAB Cc1nc(C)c(CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)s1 78973584 VZDOUUJRFNGZNP-LBPRGKRZSA-N 324.450 1.599 0 40 DDAB C/C=C/CS(=O)(=O)N1CCN(c2ccccc2OC)CC1 79061095 OWGJGYBODNPZSM-ONEGZZNKSA-N 310.419 1.723 0 40 DDAB CCOC(=O)C(=O)[C@H]1C(=O)N(C)[C@]2(C)C[C@H]1c1ccccc1O2 4683417 LVSHFNNPADHXDV-BNLOLNQZSA-N 317.341 1.489 0 40 DDAB CCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 6879555 GZAPEDJBZOYWPF-UHFFFAOYSA-N 312.435 1.832 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@@H](C)C2)n(-c2ccccc2)n1 24032668 UQMKPFVCNPIACP-AWEZNQCLSA-N 314.389 1.840 0 40 DDAB CC(C)NC(=O)CSc1ccccc1C(=O)O[C@H](C)C(N)=O 12423321 WNKRHJVMHCJCAE-SNVBAGLBSA-N 324.402 1.334 0 40 DDAB CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10325576 CGUJAVVINRUTBF-SNVBAGLBSA-N 318.826 1.939 0 40 DDAB Cc1ccc(CNC(=O)c2ccc(OCC(N)=O)cc2)cc1F 12488752 MKLKTNHSILWVLP-UHFFFAOYSA-N 316.332 1.928 0 40 DDAB Cn1cc(Cl)cc1C(=O)N1CCC(c2nncn2C)CC1 24693006 MKOKKWYJJPZFPW-UHFFFAOYSA-N 307.785 1.827 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)s1 24712358 DRCKUSVOFLBHCJ-LLVKDONJSA-N 316.448 1.606 0 40 DDAB CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@@H](N)COC 55369982 WMVBMXNNXMABJB-LBPRGKRZSA-N 304.394 1.236 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)N[C@H](C)c2nncn2C)C1 106567332 XMPXNURTLBIIEZ-FRRDWIJNSA-N 308.430 1.153 0 40 DDAB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(N)=O 3118094 OCFYTKZXDSNICX-DGCLKSJQSA-N 308.378 1.970 0 40 DDAB Cn1cc(C(=O)N[C@]2(C(=O)O)CCSC2)c2ccccc21 43509654 CCNQESLBCKZIQX-OAHLLOKOSA-N 304.371 1.868 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 56131063 XKWVKBYSENDGSY-OLZOCXBDSA-N 306.366 1.095 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2csc(Br)c2)CCO1 43701967 RVZVSLLYCJDFMK-ZETCQYMHSA-N 320.164 1.436 0 40 DDAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCN(C)C 9951139 WKLCHWFIPFQSPD-CQSZACIVSA-N 306.410 1.511 0 40 DDAB CN(C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21)c1ccccc1 57525591 LQOHZUSYWMVSEI-UHFFFAOYSA-N 323.352 1.363 0 40 DDAB Cc1cccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[nH]2)c1 57523569 DAUOSYNPQGQLCD-AWEZNQCLSA-N 308.345 1.868 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCCO1 27397129 BEGYBPJWWLKWNQ-LBPRGKRZSA-N 302.334 1.359 0 40 DDAB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](CC4=O)[C@H]3C2=O)c1 100812950 KWAXNMVQELENOS-HMEQZMJYSA-N 311.337 1.587 0 40 DDAB COc1cc(C(=O)OCCN2CCCC2=O)cc(OC)c1OC 3258400 GDIOZOYGZKELMH-UHFFFAOYSA-N 323.345 1.492 0 40 DDAB CNC(=O)c1cccc(NC(=O)NC2Cc3ccccc3C2)n1 97140958 HYPSLJRUPWHIAE-UHFFFAOYSA-N 310.357 1.730 0 40 DDAB CC(=O)N1CCCN(CC(=O)NCc2ccccc2C)CC1 27565115 NMAZOUDBBUULIG-UHFFFAOYSA-N 303.406 1.165 0 40 DDAB O=C(CCNC[C@@H]1CNc2ccnn2C1)NC1CCCCC1 58299786 PYZWRUWLQHTNBE-CYBMUJFWSA-N 305.426 1.353 0 40 DDAB COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1COc2ccccc2C1 58278664 YILJBRDJDTUSDN-UONOGXRCSA-N 320.389 1.877 0 40 DDAB CCn1cnnc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 44967518 AHAXCVQOFVVHGF-LBPRGKRZSA-N 317.393 1.824 0 40 DDAB CCOc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2135797 DGMNVEWLVVAEFP-UHFFFAOYSA-N 302.330 1.882 0 40 DDAB biogenic C[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)[C@H]1CCCO1 27894059 UETMGEGRHXRHIM-TZMCWYRMSA-N 316.357 1.787 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 58324096 IIWVEBXSPNDXPM-CQSZACIVSA-N 303.406 1.693 0 40 DDAB C[C@@H](NC(=O)CCSc1ccccc1)C(=O)N1CCOCC1 58332438 GYBICTRSRUQJJH-CYBMUJFWSA-N 322.430 1.532 0 40 DDAB CC1=NN(c2ccc(C(=O)O[C@@H]3CCS(=O)(=O)C3)cc2)CC1 58390476 KJPFKYNTGDAEOK-CQSZACIVSA-N 322.386 1.617 0 40 DDAB CCN(C)c1ccc(C(=O)N(C)CC(=O)N2CCCC2)cc1 58328781 TUFSYROHQHZHOA-UHFFFAOYSA-N 303.406 1.837 0 40 DDAB O=C(c1cscn1)N1CCC[C@@]2(CCN([C@H]3CCOC3)C2)C1 107191698 GBMATWFBSRUGJP-BBRMVZONSA-N 321.446 1.860 0 40 DDAB CCN1C[C@@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)CC1=O 50766177 XXAGGCQANJGOEC-LBPRGKRZSA-N 317.364 1.834 0 40 DDAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1 36383785 MMFJCYKDDVWSNQ-UHFFFAOYSA-N 321.446 1.437 0 40 DDAB COC[C@H](C)n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3403000 JUZPJXIEJMLPCO-UWVGGRQHSA-N 321.402 1.570 0 40 DDAB CCOCC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 20868138 PKAYJQYTHQDWCY-JTQLQIEISA-N 309.318 1.365 0 40 DDAB Cc1cc(CNC(=O)c2ccccc2OCCN(C)C)no1 63104086 GMMALBQTNRWSEV-UHFFFAOYSA-N 303.362 1.853 0 40 DDAB Cn1cc(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 63353240 NLLCOLJETBVEEP-LSDHHAIUSA-N 302.353 1.957 0 40 DDAB COc1c(C)cc(CN(C)C(=O)C2=NN(C)C(=O)CC2)cc1C 71185045 AIFICQBWFHHKTG-UHFFFAOYSA-N 317.389 1.879 0 40 DDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 13735225 XYJFGSAEXGPEJS-VIFPVBQESA-N 321.724 1.462 0 40 DDAB COc1ccccc1OCCNC(=O)N[C@H](C)c1nncn1C 65429041 KUCOHECHJHVAHR-LLVKDONJSA-N 319.365 1.263 0 40 DDAB C[C@@H](Oc1ccc2c(c1)CCCC2=O)C(=O)N1CCOCC1 65575569 ZVRXOUOUPHAKRW-GFCCVEGCSA-N 303.358 1.832 0 40 DDAB CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 79410065 YIDFKWFMTAVXJE-OLZOCXBDSA-N 313.442 1.685 0 40 DDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 6528435 MUOQKDNNXIARJC-UHFFFAOYSA-N 318.354 1.942 0 40 DDAB CC[C@@](C)(O)CNC(=O)Nc1cccc(Cn2cncn2)c1 66160552 DLQVVUWBAZLSJZ-OAHLLOKOSA-N 303.366 1.609 0 40 DDAB Cn1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)c2nccnc21 72393900 UOYMBGZGFKRYJX-GFCCVEGCSA-N 322.372 1.778 0 40 DDAB O=C(NCCC(=O)N1CCc2sccc2C1)c1ccon1 84618113 XSASEHPHLUSXTK-UHFFFAOYSA-N 305.359 1.441 0 40 DDAB COc1cc([C@@H]2ON=C(C(=O)O)[C@H]2C)c(OC)c2c1OCO2 14987659 YJJCMPMXQUYKAT-LHLIQPBNSA-N 309.274 1.581 0 40 DDAB O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1 66922076 VAAJJTMRDOSFDA-CYBMUJFWSA-N 323.437 1.646 0 40 DDAB CSC[C@@H](C)NC(=O)NCc1ccc([S@@](C)=O)cc1 80144918 XPYUVTYDVLDBIV-DGIBIBHMSA-N 300.449 1.975 0 40 DDAB COc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1OC 15830464 BKHJOMKEGSUHAD-SNVBAGLBSA-N 309.347 1.199 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CS(=O)(=O)c1ccccc1 19825797 VTSXEHHFJPDWTO-NSHDSACASA-N 322.411 1.672 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC(O)CC2)c1 16338326 UKLVQAIQLINSMY-LLVKDONJSA-N 308.378 1.488 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)cn1 71797005 PDQYLWYVNQCNSS-AWEZNQCLSA-N 323.356 1.634 0 40 DDAB CNC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422322 IEFVHIOMGZSTBG-UHFFFAOYSA-N 316.327 1.359 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cccc3c2ccn3C)CC1 70040023 DRCVHTJCLOLTRQ-CQSZACIVSA-N 315.417 1.707 0 40 DDAB CCOCCN1CCN(c2ncnc3c2cnn3C)C[C@@H]1CC 70037089 SHYNYEKTFHFXBQ-ZDUSSCGKSA-N 318.425 1.300 0 40 DDAB Cc1cc([C@@](C)(O)CNC(=O)[C@H](O)c2ccccc2)c(C)o1 81818208 YGIRDHWUIFEOPF-WBVHZDCISA-N 303.358 1.954 0 40 DDAB CC(C)[C@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 17056847 DLJOXNSUCAANHK-NSHDSACASA-N 323.418 1.276 0 40 DDAB Fc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3ncnn3C2)cc1 69488834 OUGKGVQUEHGAHY-CQSZACIVSA-N 312.352 1.912 0 40 DDAB CS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccco2)C1 69453304 BGADLJOCZFSUEQ-UHFFFAOYSA-N 320.370 1.850 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 9550308 XKOCENJLVYZYFK-CQSZACIVSA-N 302.330 1.646 0 40 DDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H]2Cn2cncn2)o1 69659422 STMBLTFNTPYWCC-AWEZNQCLSA-N 317.393 1.303 0 40 DDAB O=c1[nH]c(CN2CCC[C@H](Cn3cncn3)C2)nc2ccccc12 69622723 BTTATVQORYYHOE-ZDUSSCGKSA-N 324.388 1.427 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 71803288 HMTQIIIWARAVIJ-JTQLQIEISA-N 316.361 1.516 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)NCCOc2ccccc2)c1 69773841 FLTNHFAUXTUBMA-HNNXBMFYSA-N 316.405 1.365 0 40 DDAB C[C@H](NC(=O)NCc1cnn(C)c1)C(=O)N1CCCC[C@H]1C 69706213 PGWJBTHHKQPALQ-NEPJUHHUSA-N 307.398 1.009 0 40 DDAB O=C([C@H]1CCOC1)N1CCN(c2nc3cccnc3s2)CC1 69739045 ULCFFCPIWQRKGB-NSHDSACASA-N 318.402 1.376 0 40 DDAB NC(=O)[C@H](CNC(=O)[C@H]1CC=CCC1)Cc1ccc(F)cc1 71826719 HTPLRFPPXUQNBV-KBPBESRZSA-N 304.365 1.942 0 40 DDAB Cc1cnn(CCC(=O)N(C)[C@@H](C(N)=O)c2cccc(F)c2)c1 69813766 DEBYFUROQKRDON-OAHLLOKOSA-N 318.352 1.406 0 40 DDAB CN1C(=O)C[C@@H](NC(=O)c2ccncc2)[C@H]1c1ccc(F)cc1 95440514 ARBXGIDPMJKZHN-GDBMZVCRSA-N 313.332 1.923 0 40 DDAB CN(Cc1ccccc1)C(=O)CN1CCC(OCCCO)CC1 83864219 QVGUGKLHICOHEV-UHFFFAOYSA-N 320.433 1.508 0 40 DDAB O=C1[C@H](Sc2nc3ncccn3n2)CCN1CC(F)(F)F 71910958 ISVWITDTUDPCAM-SSDOTTSWSA-N 317.296 1.380 0 40 DDAB CC[C@H](SC(C)=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9667840 ULTVUOWGDWCHKW-NSHDSACASA-N 316.404 1.331 0 40 DDAB Cn1nnc2ccc(C(=O)N3CCc4ccccc4[C@H]3CO)cc21 97097706 CNNPGZJQNJZSBA-QGZVFWFLSA-N 322.368 1.700 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)c1 97021224 VUFFACPQYAJMSC-NSHDSACASA-N 309.395 1.543 0 40 DDAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 72233682 ZOXNLTBPYWRGNZ-UHFFFAOYSA-N 302.308 1.370 0 40 DDAB C[C@H]1CN(CCN(C)CCN2C[C@@H](C)OC[C@H]2C)[C@@H](C)CO1 95972758 PETNUGAWVIEURH-WNKDZCFJSA-N 313.486 1.137 0 40 DDAB CN(C)CCn1cc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cn1 95994344 DBQOMPJGSSOTPT-CYBMUJFWSA-N 309.414 1.212 0 40 DDAB C[C@H](CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)O 95970492 HPNFVWVSYQBBMV-NEPJUHHUSA-N 322.361 1.311 0 40 DDAB C[C@@H]1CO[C@@H](CO)CN1c1ncnc2sc3c(c12)CCC3 95967562 ZJCKZNSISYXVJI-NXEZZACHSA-N 305.403 1.766 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 63092803 IXFZIQCFEXJCSN-MRVPVSSYSA-N 323.374 1.581 0 40 DDAB Cc1ncc(CN2CC[C@H](N(C)Cc3nnc(C)n3C)C2)s1 89736061 QDNBKJGYIZUGSY-ZDUSSCGKSA-N 320.466 1.595 0 40 DDAB O=C(Nc1nncs1)N1CCN(Cc2ccncc2)CC1 89884953 ONYZCQVCRSUCBL-UHFFFAOYSA-N 304.379 1.283 0 40 DDAB C[C@@H](CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccsc1 89900923 YWFMXPHCYGPMLM-JQWIXIFHSA-N 307.419 1.914 0 40 DDAB Cn1ccnc1N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 89926881 XNHJHMHKVWIINZ-OAHLLOKOSA-N 304.369 1.415 0 40 DDAB Cn1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2cn[nH]c2)ccc1=O 1549695938 VFCUWIQPGPJHGS-ABAIWWIYSA-N 316.361 1.006 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 171778244 LTWLWXSMQPTJCI-GFCCVEGCSA-N 307.375 1.876 0 40 DDAB O=C(NCc1cccnc1)c1c(O)n2c3c(cccc3c1=O)CC2 1322974 XDTQNWJNNGWWPM-UHFFFAOYSA-N 321.336 1.588 0 40 DDAB biogenic C[C@H](Cc1ccccc1F)NC(=O)N1CCC[C@H](OCCO)C1 187724539 GPINFFJZUMFDJM-HIFRSBDPSA-N 324.396 1.940 0 40 DDAB COc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](O)C4(CC4)C3)cc12 527253984 XLCMVZHFMLGRGH-CYBMUJFWSA-N 304.321 1.913 0 40 DDAB CCOc1cc2c(cc1NC(=O)[C@@H]1CCC(=O)N1)O[C@@H](C)C2 73005310 VDDZYWIYDCDSOI-ONGXEEELSA-N 304.346 1.626 0 40 DDAB O=C(c1ccn(-c2ccccc2)n1)N1CCN(C(=O)C2CC2)CC1 32992841 MEFJTLFHLCMKGS-UHFFFAOYSA-N 324.384 1.567 0 40 DDAB CCN1CCN(C(=O)c2nnsc2-c2ccccc2)CC1 72239985 UNSNTTBDCQDXTA-UHFFFAOYSA-N 302.403 1.983 0 40 DDAB CN(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 38753630 JJCYLEAKINPQOP-UHFFFAOYSA-N 319.814 1.003 0 40 DDAB COCCn1cnnc1[C@@H]1CCCCN1c1cc(C)ncn1 72364113 HUWIKPCCIBAAQB-ZDUSSCGKSA-N 302.382 1.755 0 40 DDAB Cc1c(OCC(=O)Nc2ccc(F)cc2)c(=O)ccn1CCO 44901475 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O=C(c1ccno1)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96218984 GBANGNWSVUWOKK-XJKSGUPXSA-N 314.345 1.555 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3ccsc3)C2)C1 96051925 AHMCWAIJFFOKDU-JKSUJKDBSA-N 310.463 1.917 0 40 DDAB COc1ncccc1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 96038693 WLCCJFFQSDACPA-RHSMWYFYSA-N 319.405 1.159 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@H](C)Cc2cccc(F)c2)CCO1 96440396 ZNZWYIFJDLVLIQ-DOMZBBRYSA-N 310.369 1.814 0 40 DDAB CN1CCC[C@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 257276739 NUXQLSDZBJXSJU-ZDUSSCGKSA-N 318.377 1.749 0 40 DDAB Cc1cc(Br)c(S(=O)(=O)n2cncn2)cc1C 256055701 QCEHSURDXXELCR-UHFFFAOYSA-N 316.180 1.894 0 40 DDAB CC(=O)N(C)C1CCN(c2ncc(Br)cn2)CC1 67369747 RLFYISLHTSMIJX-UHFFFAOYSA-N 313.199 1.686 0 40 DDAB CCOC(=O)[C@@H]1C(=O)OC[C@H]1c1cc(OC)c(OC)c(OC)c1 252492337 MJFATMGGXKBQHS-GXFFZTMASA-N 324.329 1.532 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(F)cc1 257294316 QTNRTOPDSMXLEU-INIZCTEOSA-N 300.337 1.592 0 40 DDAB CCc1nnsc1C(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 257322844 WHQMDTOJCZKTLZ-JTQLQIEISA-N 307.379 1.346 0 40 DDAB Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2C(=O)CN)n1 257281429 OPDSWEONOMDULK-CQSZACIVSA-N 315.377 1.679 0 40 DDAB CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257281914 ORLKSZGLYJEACG-MGPQQGTHSA-N 316.361 1.171 0 40 DDAB Nc1ncc(F)c(CC2CC3(COCCN(CC4CC4)C3)C2)n1 257227583 FPZJKOQPUZWFGX-UHFFFAOYSA-N 320.412 1.879 0 40 DDAB O=C(c1noc2c1CCCC2)N1CC[C@H](O)[C@]2(CCCO2)C1 257296714 REAYZMKWRRZZGA-BBRMVZONSA-N 306.362 1.309 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)N1CCC=C(F)C1 272055059 FNXZIFIZXGWYFT-UHFFFAOYSA-N 301.321 1.872 0 40 DDAB CCc1nn(C)cc1N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F 274906430 JHRCVLPQBQMKKF-ZETCQYMHSA-N 321.303 1.171 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cc(C)[nH]n1)[C@@H](C)C2 585098234 SKNBDDHHFYSICV-LBPRGKRZSA-N 304.398 1.293 0 40 DDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)Cn2ccnc2)cc1 585276425 JQEHNXQQNCNBDK-IRXDYDNUSA-N 313.401 1.786 0 40 DDAB Cc1noc(C)c1C(=O)N[C@]1(C(=O)O)CCc2ccccc21 671667051 VPCUDOSCAQMHMX-MRXNPFEDSA-N 300.314 1.948 0 40 DDAB Cc1ccc(CNC(=O)CNc2ccccc2C(N)=O)cc1F 25614486 MPQZEIMWAPLLGT-UHFFFAOYSA-N 315.348 1.961 0 40 DDAB CCN1CC[C@H](CNC(=O)NCCc2cn3ccccc3n2)C1 65449341 XGEVUPBWUHDXPE-CQSZACIVSA-N 315.421 1.518 0 40 DDAB C[C@@H](CC[C@H]1CCCO1)NC(=O)c1cnc2sccn2c1=O 65613290 YSVQFXDSOPSOTN-WDEREUQCSA-N 321.402 1.834 0 40 DDAB CC(C)(Oc1ccccc1)C(=O)N1CC[C@@H](c2nn[nH]n2)C1 1548763505 HZGYUSKBQUSWKS-LLVKDONJSA-N 301.350 1.373 0 40 DDAB COc1cc(CC(=O)N[C@@]2(C(=O)O)CCSC2)ccc1C 43509818 SSWIIVATGIURTM-HNNXBMFYSA-N 309.387 1.623 0 40 DDAB COC[C@@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 56921774 BJBPPRHZBLCMLW-GFCCVEGCSA-N 301.350 1.161 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)n1 75602747 GCZPVJKBOONKCO-HNNXBMFYSA-N 316.409 1.735 0 40 DDAB Cn1nc(C(=O)NC2C[C@H]3CC4C[C@H](C2)N43)c2cccc(O)c21 1570003133 AHKLTPXHGXRIIG-YECOWLKZSA-N 312.373 1.386 0 40 DDAB CCc1cc(=O)[nH]c(SCC(=O)NCc2ccc(F)cc2)n1 5155026 ZQAOKJXLRYWTQJ-UHFFFAOYSA-N 321.377 1.880 0 40 DDAB CSc1nc(-c2ccccc2)nc(=[N+]2CCOCC2)s1 5723258 QSKXUZSUPYJMDD-UHFFFAOYSA-N 306.436 1.729 0 40 DDAB COc1ccc(CN2CCc3c(O)nc(C)nc3C2)cc1CO 19576585 CYSFKQZYXCNEBL-UHFFFAOYSA-N 315.373 1.550 0 40 DDAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCOC)cc1 19886402 GCRNPBGCSVHQII-UHFFFAOYSA-N 300.380 1.215 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169619624 AZERMEIHQZCSDJ-DGAVXFQQSA-N 301.298 1.482 0 40 DDAB CCn1cccc1-c1noc(CNC(=O)NC[C@H]2CCCO2)n1 225769690 RYBKLTXYGDFTEL-LLVKDONJSA-N 319.365 1.536 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)NCCc1cccs1 9050471 STFNPFPGSMKCBA-UHFFFAOYSA-N 313.382 1.817 0 40 DDAB COc1ccc(Cn2c(=O)c3sccc3n(C)c2=O)cc1 1888941749 PELWUWWXWVWGKS-UHFFFAOYSA-N 302.355 1.819 0 40 DDAB C[C@@H](N)[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 163190547 NOBFQGPMBKPHPR-KRTXAFLBSA-N 304.724 1.806 0 40 DDAB O=C(c1sccc1F)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056224033 OADOUGNUGJVPHB-STQMWFEESA-N 310.394 1.822 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2occc2C)C1 2055771997 PMLLXMRZPRZJSW-MRXNPFEDSA-N 316.361 1.162 0 40 DDAB CO[C@H](CNC(=O)CN1C(=O)CCC1=O)c1ccccc1Cl 206849315 SFNSMLDVYMXCMC-GFCCVEGCSA-N 324.764 1.293 0 40 DDAB O=C(c1ccncc1)N1CCC(N2C(=O)CSC2=O)CC1 206978691 KIBMQPBHMZLGHM-UHFFFAOYSA-N 305.359 1.382 0 40 DDAB COc1ncccc1C(=O)N1CC[C@@H](Oc2cnsn2)C1 618257001 OJYOZCAJDPXMOT-SECBINFHSA-N 306.347 1.235 0 40 DDAB COC(=O)CCCN(C)CC(=O)Nc1cc(F)cc(F)c1 50065516 GPGPXKFBEOZZNE-UHFFFAOYSA-N 300.305 1.788 0 40 DDAB COC(=O)c1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)cc1 20362924 RTPGUTIRKLDUEM-KRWDZBQOSA-N 320.433 1.750 0 40 DDAB O=C(Nc1nncs1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40513714 NQTCLFGRBDXQRC-MRVPVSSYSA-N 324.797 1.837 0 40 DDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NS(C)(=O)=O 40544060 LDPUFZHGJZWBFT-CYBMUJFWSA-N 308.359 1.026 0 40 DDAB COc1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(C(N)=O)c1 51970505 CPMVPVHYONZLQG-TXEJJXNPSA-N 320.389 1.962 0 40 DDAB CN(C)[C@@H](CNC(=O)/C=C/c1cnn(C)c1)c1cccc(F)c1 32729459 RXBMULXWBFPTQF-WAVCKPEOSA-N 316.380 1.992 0 40 DDAB CC(=O)Oc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 470697 OPCXWVORJPRCQV-UHFFFAOYSA-N 324.292 1.748 0 40 DDAB Cc1cc(=O)oc2ccc(OCC(=O)N3CCOCC3)cc12 49162 PQPHSTDXYRIXMT-UHFFFAOYSA-N 303.314 1.339 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccsc2)C1 92570209 DFAHMONKWFBEMY-LBPRGKRZSA-N 316.448 1.221 0 40 DDAB Cn1c(=O)c2nc(Oc3ccc(Cl)cc3)n(C)c2n(C)c1=O 8716900 KRHMDKXPQCNOSX-UHFFFAOYSA-N 320.736 1.416 0 40 DDAB CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O 1635999 OCNSNABHIFCIMW-VIFPVBQESA-N 310.103 1.097 0 40 DDAB O=C(CNC(=O)Nc1ccc(C2CC2)nn1)NC1CCCCC1 79112648 FPSPHIZQNHGOFC-UHFFFAOYSA-N 317.393 1.924 0 40 DDAB NC(=O)CN(CC(=O)NCCc1ccc(F)cc1)C1CCCC1 47274410 QPMSZDWMQXSCPP-UHFFFAOYSA-N 321.396 1.214 0 40 DDAB CC(C)[C@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 23081747 ATALXDFGIDGVKR-LBPRGKRZSA-N 316.409 1.501 0 40 DDAB CC1(C)O[C@H]2O[C@@H]3[C@H](CN)O[C@H](c4ccccc4)O[C@H]3[C@H]2O1 4801895 WDJTYDGUYHVEBN-RUDNTAQLSA-N 307.346 1.304 0 40 DDAB Cc1cc(C)cc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2N)c1 4984741 QCADFXCEUVWUBN-CYBMUJFWSA-N 315.377 1.375 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1 6306801 KRXKWIPFERULLA-UHFFFAOYSA-N 314.407 1.088 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 54674253 MRKRPDHIOKRMHC-SECBINFHSA-N 307.379 1.812 0 40 DDAB COCc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cs1 106779238 UZQWLPPBUASVQN-CHWSQXEVSA-N 309.435 1.988 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(C)on2)cc1 25136841 PHMVULHOMSQXPC-UHFFFAOYSA-N 323.374 1.163 0 40 DDAB CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 12678696 YMIWEULKIHAGNS-UHFFFAOYSA-N 312.391 1.364 0 40 DDAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)[C@H]1CCCO1 27867911 QNIBNBOQSFCMMG-GXTWGEPZSA-N 318.373 1.486 0 40 DDAB O=C(NCCCNC(=O)c1cccc(O)c1)Nc1ccccn1 58355257 ZLZVVJYJDOPTOB-UHFFFAOYSA-N 314.345 1.729 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NC(C)(C)C 58411469 WSTKLZRHSNKFML-RYUDHWBXSA-N 323.437 1.197 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCc2sccc2C1 28176196 UOXIMMFQUVCKJX-WCQYABFASA-N 321.446 1.219 0 40 DDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)C1CCCC1 100128951 UGYQBVWFIYWOCF-ZIAGYGMSSA-N 303.406 1.951 0 40 DDAB Cc1nnc(SCCNS(=O)(=O)c2ccccc2)s1 2324936 QIKMQXBVKHYDRH-UHFFFAOYSA-N 315.445 1.917 0 40 DDAB Cn1c(CSc2nc3ccccc3s2)cc(=O)n(C)c1=O 11297097 YYRRALQBMCRMQY-UHFFFAOYSA-N 319.411 1.986 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)NC1CCC(O)CC1 60322549 YORFCPOUGFIZOE-UHFFFAOYSA-N 301.387 1.114 0 40 DDAB CN(C[C@H](O)COCc1ccc2c(c1)OCO2)C[C@H]1CCCO1 48313925 SANIAZWXTGUPKP-LSDHHAIUSA-N 323.389 1.404 0 40 DDAB O=C(NCc1nnc2n1CCC2)NC[C@H]1Cc2ccccc2O1 48372956 LKOSUJPWLKXDAP-GFCCVEGCSA-N 313.361 1.027 0 40 DDAB O=C(NCCc1ccc[nH]1)c1ccnc(O[C@H]2CCOC2)c1 97112999 UJKANDIRBLPBSF-AWEZNQCLSA-N 301.346 1.550 0 40 DDAB CN1CCN(C(=O)c2ccc(CNC(=O)C3CCC3)cc2)CC1 46662648 ATAZUFXLXPWYJN-UHFFFAOYSA-N 315.417 1.491 0 40 DDAB COc1ccccc1CNC(=O)c1ccc(-n2nnnc2C)cc1 71288037 GSNHEMLINWXFEX-UHFFFAOYSA-N 323.356 1.909 0 40 DDAB NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 4218261 BJITVBXEZBGKCJ-UHFFFAOYSA-N 320.157 1.187 0 40 DDAB Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccco2)cc1 4200383 CXRHKIFNOLZTIZ-UHFFFAOYSA-N 309.343 1.864 0 40 DDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]3CCCC[C@@H]32)CC1 49971526 GVUYGDSCZDZJHR-ZFWWWQNUSA-N 307.438 1.365 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(-c3cccnc3)on1)C2 65463533 SHMSBRPYABVBEP-ZDUSSCGKSA-N 323.356 1.986 0 40 DDAB COc1ccc(S(=O)(=O)c2cnc3ccccn3c2=O)cc1 9319599 RYYYTJMQJPHLEU-UHFFFAOYSA-N 316.338 1.536 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc2nonc12 9420634 BIHZBBGPROICTD-UHFFFAOYSA-N 321.296 1.571 0 40 DDAB CNC(=O)[C@H](NC(=O)Cn1ccnc1C(C)C)c1ccccc1 97053355 JBGSYEJXWNXOAG-OAHLLOKOSA-N 314.389 1.610 0 40 DDAB C[C@@H](O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1 7602337 MWKRSRDHOMGKDX-SECBINFHSA-N 300.322 1.312 0 40 DDAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c[nH]c(C(C)C)n1 81073655 UNANYSUQQDACJW-SNVBAGLBSA-N 324.410 1.246 0 40 DDAB COc1ccc(NC(=O)CN2CCN3CCC[C@@H]3C2)c(OC)c1 23249627 BPHLOCUAAYZWOU-CYBMUJFWSA-N 319.405 1.422 0 40 DDAB O=C(NCCO)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409016285 GEKICVUCLKPAMM-UHFFFAOYSA-N 310.781 1.301 0 40 DDAB CCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965909 XPSXWCRDTCEYJW-UHFFFAOYSA-N 302.371 1.508 0 40 DDAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C[C@@H](C)O)CC2)s1 71871474 QLYJUICTRCEGKR-MRVWCRGKSA-N 308.447 1.685 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCC(CN2CCOCC2)CC1 69029272 KZTIEGZTMPAXHG-QGZVFWFLSA-N 317.433 1.257 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COCCOc1ccccc1 71829571 XCCWUTBDHTUCAO-UONOGXRCSA-N 320.389 1.194 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)c1 70004205 DFJDALBLKGUETQ-ZDUSSCGKSA-N 314.393 1.352 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3[nH]cnc3c2)nc1 69489804 CVBXXCNRYMFEKD-UHFFFAOYSA-N 323.356 1.977 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1=COCCC1 97081803 AHKRKZCLTDDZJH-QGZVFWFLSA-N 316.401 1.564 0 40 DDAB COCCN1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 69652535 CWOLBTXOKTUNNQ-INIZCTEOSA-N 319.449 1.470 0 40 DDAB O=C1[C@H](n2nnc(-c3cccs3)n2)CCN1CC(F)(F)F 69973759 URTYJUXGOCFSFL-SSDOTTSWSA-N 317.296 1.737 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 69925243 BUWDVQKVFRZZBT-GFCCVEGCSA-N 317.393 1.680 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 8726915 JWKALNDNQPMJSR-CYBMUJFWSA-N 303.362 1.066 0 40 DDAB Cc1ccc2c(C(=O)CN3CCN(CCO)CC3)c(C)[nH]c2c1 95483311 NDXZRSNPNYMDGG-UHFFFAOYSA-N 315.417 1.577 0 40 DDAB CC[C@H]1CN(C(=O)CN2C(=O)CCc3ccccc32)C[C@H]1O 95445034 DGSHNXNEZHSYIL-SWLSCSKDSA-N 302.374 1.195 0 40 DDAB Cn1cc(C(=O)Nc2ccc(CCC(=O)O)cc2)ccc1=O 95425526 HMXDVPRUQDIRRE-UHFFFAOYSA-N 300.314 1.655 0 40 DDAB O=C1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCN1 73552434 ANHFBPRYMWREOL-GHMZBOCLSA-N 312.291 1.767 0 40 DDAB Cc1nc(-c2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2)no1 95969596 LOBWIULSXSUNNV-GFCCVEGCSA-N 303.318 1.884 0 40 DDAB c1ccc(SCCN2CCN(CC3OCCO3)CC2)cc1 95992533 GFAYXJSAORBBKU-UHFFFAOYSA-N 308.447 1.769 0 40 DDAB COC(=O)[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 95965892 KCGMGRABEPOEBS-AUUDPHHASA-N 321.417 1.992 0 40 DDAB COC(=O)CNC(=O)c1csc(Cc2ccc(C)cc2)n1 95982510 KGMDPHHKEVMFTJ-UHFFFAOYSA-N 304.371 1.945 0 40 DDAB Cc1nc(CNC(=O)c2ccc(N(C)C)nc2)c2n1CCCC2 89708959 KSSDPGNRBNEDES-UHFFFAOYSA-N 313.405 1.919 0 40 DDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 89878737 IAAKSRHAGVFSQU-GJZGRUSLSA-N 318.398 1.348 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 89930531 YDUALOLCNOPTPD-HOTGVXAUSA-N 319.380 1.945 0 40 DDAB Cc1noc(CCCNC(=O)c2cccnc2NC(C)C)n1 76083358 BHXSFXRGZPOJSF-UHFFFAOYSA-N 303.366 1.956 0 40 DDAB CCCN1C(=O)N/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 409246614 JNMMFNDXZYMHRU-BJMVGYQFSA-N 304.302 1.727 0 40 DDAB COc1ccc(C(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408621136 LEKOMBZWOKFZCV-YZXKGSGOSA-N 323.348 1.889 0 40 DDAB Nn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC1 409098173 NXGOUKVKPOAHBT-UHFFFAOYSA-N 317.418 1.297 0 40 DDAB CNC(=O)[C@@]12CCOC[C@H]1CN(c1nccc(C)c1Cl)C2 1551407935 HOMWXWALPWDYPO-IAQYHMDHSA-N 309.797 1.632 0 40 DDAB COc1ccc(CC(=O)Nc2nnc(-c3ccnn3C)o2)cc1 38871381 XWMAWDHGCOEZPY-UHFFFAOYSA-N 313.317 1.660 0 40 DDAB CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C)Cc2ccccc2)C1 79415727 JYXARWYHWBYJIE-IRXDYDNUSA-N 303.450 1.950 0 40 DDAB CCN(CC)c1nc(C)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)n1 72240416 GJJWHKHCTFFAPE-CHWSQXEVSA-N 306.410 1.881 0 40 DDAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3cccnc3)ccc2N1 78403814 NBLXZHXMFUAJRI-LLVKDONJSA-N 303.387 1.917 0 40 DDAB COc1nc(N)nc2sc(C(=O)NC[C@@H]3CCCO3)cc12 30798144 HLBNOGVGHNPTIY-ZETCQYMHSA-N 308.363 1.191 0 40 DDAB O=C(O)c1cn([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 568398392 XAAROMJOGXAYNQ-NEPJUHHUSA-N 304.350 1.496 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1nc2cc(Cl)ccc2n1C 185508141 UUBAPPZTUAUEDB-ZWNOBZJWSA-N 323.780 1.335 0 40 DDAB CC(C)(C)c1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)no1 131819379 LIYWLWVLJYTSQO-SECBINFHSA-N 304.354 1.700 0 40 DDAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)c(C)c1 225953388 YLFFIXIINADPRP-XHDPSFHLSA-N 324.402 1.366 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCc3cccs3)c(O)n2c1 226821989 FDMHNTQEDHPIKL-UHFFFAOYSA-N 315.354 1.700 0 40 DDAB CC1(C)Oc2cc(S(=O)(=O)N3CCCCC3)ccc2NC1=O 46088724 WZWGQRQRFZWCFJ-UHFFFAOYSA-N 324.402 1.971 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)c1 40386691 AKJMWEANWDXCIO-LBPRGKRZSA-N 313.361 1.800 0 40 DDAB CC(C)(O)CN(Cc1ccccc1)C(=O)N[C@H]1[C@@H]2CNC[C@@H]21 571303513 KKDBGWOIXYWSAE-FICVDOATSA-N 303.406 1.187 0 40 DDAB CC(=O)NC(NC(C)=O)C(=O)c1ccc(Br)cc1 226759574 ARHYVLJVEYDFJL-UHFFFAOYSA-N 313.151 1.230 0 40 DDAB CN1CCO[C@H](CNC(=O)NCc2ccc3ncccc3c2)C1 194144483 VXTDLCVSIIPLKC-OAHLLOKOSA-N 314.389 1.365 0 40 DDAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@H](c1ccccc1)N1CCOCC1 195558577 IZUWTGSWCQNINA-UKBAYJJMSA-N 316.445 1.975 0 40 DDAB COCCN1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(C(=O)O)cc12 96530432 WFMLEKWNQXTUDR-IAQYHMDHSA-N 306.318 1.596 0 40 DDAB CCc1ccc(CN2CC[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)o1 96249840 KHQOHJKTMRBRLI-RHSMWYFYSA-N 306.406 1.911 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N[C@@](C)(CN)CC(C)C)c1C 97229356 QSKBNAIVXNKIBR-CQSZACIVSA-N 316.471 1.562 0 40 DDAB Cc1ccc(CN2C[C@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)o1 96186839 DIHRIWYYAXTRMC-RRFJBIMHSA-N 307.394 1.591 0 40 DDAB Cc1ccc(OCCCC(=O)N2CCC[C@@H]2C(N)=O)cc1C 96445269 XNTDTDNIQIGOPB-OAHLLOKOSA-N 304.390 1.939 0 40 DDAB O=C(NCCc1c[nH]cn1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96116052 RKATYTYFZNAREY-UHFFFAOYSA-N 323.356 1.707 0 40 DDAB biogenic COc1ccc(C(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)cc1F 96041954 ZYWSFRVSYGEQMY-AEGPPILISA-N 309.337 1.853 0 40 DDAB CCOc1ncnc2c1CCN(C(=O)c1cc(C)on1)CC2 96255617 CWGRTFPNZJHMSN-UHFFFAOYSA-N 302.334 1.413 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2c2ncccn2)N1Cc1ccncc1 96186395 OOHMEYLTLBBQKJ-GJZGRUSLSA-N 309.373 1.642 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1 96249925 XPSJVVLFIAESIP-SZMVWBNQSA-N 319.449 1.639 0 40 DDAB CC(C)OCc1nnc2n1CCN(C(=O)c1ccco1)CC2 96259195 OGNAOECUBHDXSS-UHFFFAOYSA-N 304.350 1.495 0 40 DDAB Cn1cc(CN2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)cn1 96209062 ZALRXXUAVCXYRK-WBVHZDCISA-N 314.389 1.628 0 40 DDAB CCN1C[C@]2(CNCCN(C(=O)Nc3ccccc3)C2)CC1=O 96143496 JTJDOTPWGHFVMO-QGZVFWFLSA-N 316.405 1.362 0 40 DDAB CNC(=O)CN1CCCC12CCN(C(=O)c1ccco1)CC2 96227921 LGCLZEUOJLCCSU-UHFFFAOYSA-N 305.378 1.096 0 40 DDAB O=C(O)[C@@H]1[C@H]2CC[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 247421800 RINWWBKRWIXXRN-WVZRYYJFSA-N 301.342 1.320 0 40 DDAB CCN(C[C@@H]1CCN([C@H]2C[C@H](C)OC2=O)C1)CC(F)(F)F 247815509 COUJQKIRJCIFFH-SRVKXCTJSA-N 308.344 1.897 0 40 DDAB CC(C)C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@@H]21 248167613 PEHADDNNCRERMK-FVQBIDKESA-N 303.406 1.301 0 40 DDAB CC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 240614929 AAORVMFISAEFPS-NSHDSACASA-N 316.398 1.502 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2nccn2C)n1 257259258 KXNKEGWDOHXGJD-LBPRGKRZSA-N 302.382 1.134 0 40 DDAB CCn1cc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)cn1 257312118 UMOYLGZWMLPWRC-LLVKDONJSA-N 301.350 1.418 0 40 DDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 257330851 XQHCZRPTGTYDLM-ZDUSSCGKSA-N 317.374 1.812 0 40 DDAB O=C(Cc1cccs1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257201104 AGHUWHVQFQRFIK-IIAWOOMASA-N 324.446 1.021 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)Cc1c(C)n[nH]c1C 257255388 KHGHTGMSHHWYPC-ZDUSSCGKSA-N 303.366 1.201 0 40 DDAB COc1ccc(CCNC(=O)c2cccnc2-n2cncn2)cc1 42655453 FVBNQAZSGDAYLG-UHFFFAOYSA-N 323.356 1.643 0 40 DDAB C[C@@H]1CN(Cc2ccccn2)CCN1c1ccc2nncn2n1 69459416 PRMQURHNFDQKSX-CYBMUJFWSA-N 309.377 1.230 0 40 DDAB CN(C)S(=O)(=O)N1CCC(c2ccnc(Cl)c2)CC1 257285774 PIUUIRWKOKRDBS-UHFFFAOYSA-N 303.815 1.721 0 40 DDAB CC1(C)CN(C[C@](C)(O)C(=O)O)C[C@H](COc2ccccc2)O1 579496618 MOEWZICJSKZSDX-PBHICJAKSA-N 323.389 1.380 0 40 DDAB CCc1nc(=N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)s[nH]1 585142485 XDMQFAFLGKMEAU-DTWKUNHWSA-N 321.406 1.698 0 40 DDAB COc1cccc(C(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)c1 585093452 XKSOWQWQASECSM-OAHLLOKOSA-N 324.327 1.683 0 40 DDAB C[C@@H]1CC[C@H](O)C=CC(=O)O[C@H](C)CC[C@H](O)C=CC(=O)O1 585660682 RBQNDQOKFICJGL-MQYQWHSLSA-N 312.362 1.258 0 40 DDAB biogenic,in-vitro COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cnn(C(C)(C)C)c1 72275636 GMTBAEJXQHGIJD-JSGCOSHPSA-N 323.393 1.649 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)c2cccs2)CC1 43979434 FMLIABSENSHJBA-UHFFFAOYSA-N 302.421 1.150 0 40 DDAB Cc1csc(=O)n1CCC(=O)NC[C@@H]1Cc2ccccc2O1 44912874 JLSQXCLDIDHPBM-ZDUSSCGKSA-N 318.398 1.728 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)Cn1cc(C)cn1)CC2 54916952 JYPDCJMKMSYEJA-UHFFFAOYSA-N 315.373 1.794 0 40 DDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(Cl)s1 51768868 SHJUDPOYISFKEQ-UHFFFAOYSA-N 311.812 1.975 0 40 DDAB CN(Cc1cc(=O)n2nccc2[nH]1)[C@@H](CCO)c1ccccc1 72773027 WHJKQGPNLQVBMY-HNNXBMFYSA-N 312.373 1.578 0 40 DDAB COCCN1CCC(NC(=O)COc2ccc(OC)cc2)CC1 85467964 XXCBXLQRPFSXKX-UHFFFAOYSA-N 322.405 1.301 0 40 DDAB CCc1n[nH]c([C@H]2CN(CCn3nc(C)cc3C)CCO2)n1 83830157 NHPGUKPMYQVRRR-CYBMUJFWSA-N 304.398 1.254 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1[C@@H](C)COC[C@H]1C)C2 95960927 PHMSHQMWTGPSNL-MBNYWOFBSA-N 305.374 1.882 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NCC1(O)CCCC1 40663441 BTOGRIUVCDMVFU-UHFFFAOYSA-N 311.403 1.272 0 40 DDAB CCn1cnnc1S[C@@H](C)C(=O)Nc1ncnc2nc[nH]c12 14112009 JNQQVNWZXLZDQC-ZETCQYMHSA-N 318.366 1.084 0 40 DDAB Cc1cccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)c1C 4280106 NUZPWCCIYOWCOD-ZFWWWQNUSA-N 320.389 1.854 0 40 DDAB COc1ccc(Cl)cc1S(=O)(=O)NCC1(O)CCCC1 36110540 YDZYTKDMUGDHNL-UHFFFAOYSA-N 319.810 1.932 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c(O)c1 2037873270 DHFOBZOODSGXAY-BFYDXBDKSA-N 318.417 1.808 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1F 70173570 FEFSUVPLNUDXFC-VXGBXAGGSA-N 300.399 1.882 0 40 DDAB CN1CCO[C@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@@H]2C1 1565546037 UPFGPVQWTQLFRV-YPMHNXCESA-N 309.797 1.528 0 40 DDAB CC(C)(C)C(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055745728 WYZKBARZSXGYPZ-LLVKDONJSA-N 319.405 1.930 0 40 DDAB Cc1ccc(S(=O)(=O)c2cnn3c(=O)cc(C)[nH]c23)cc1 101435046 UGCZVFSHQCXGRF-UHFFFAOYSA-N 303.343 1.472 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@](C)(O)Cc2ccsc2)no1 618254933 HYDBLTFLZSYGFR-CQSZACIVSA-N 323.374 1.093 0 40 DDAB C[C@@](O)(CNC(=O)C(=O)NCc1cccs1)Cc1ccco1 206620425 QNRLQGZFQFNTSB-HNNXBMFYSA-N 322.386 1.067 0 40 DDAB CC1(C)OC(=O)C([C@@H](c2ccccc2)[C@H](C#N)C(N)=O)=C(O)O1 34888 YGVPQBXRLKSZQR-QWRGUYRKSA-N 316.313 1.474 0 40 DDAB CCN1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1 51088038 JTCGGFUZGVVEDD-UHFFFAOYSA-N 300.288 1.285 0 40 DDAB COc1c(C)cnc(CNC(=O)CNC(=O)C2CCCC2)c1C 51462975 NUUIBGGEGXHVNK-UHFFFAOYSA-N 319.405 1.630 0 40 DDAB CN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1 20602245 NXBYQTGNKJGALR-UHFFFAOYSA-N 316.327 1.553 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@@H](c1ccccc1)c1cccs1 51826898 KCBTXFYTQCMVMS-INIZCTEOSA-N 317.414 1.371 0 40 DDAB Cc1cc(C)cc(C(=O)NCC(=O)NCCc2ccccn2)c1 21774488 YGJPNRFFXKFNLG-UHFFFAOYSA-N 311.385 1.787 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCCc1cnn(C)c1 46995004 VDFAWWNMXGJCEE-UHFFFAOYSA-N 316.361 1.533 0 40 DDAB COc1ccccc1S(=O)(=O)Oc1ccccc1C(N)=O 47214745 JKDIJLMYDOSUNC-UHFFFAOYSA-N 307.327 1.562 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCn1cncn1 41862879 QIHOSMBSZUYMLA-FZMZJTMJSA-N 302.334 1.013 0 40 DDAB COc1cc(OC)cc(N2CC[C@@H](NCc3cc[nH]n3)C2)c1 78996573 WGFHSFMJISZWDT-CYBMUJFWSA-N 302.378 1.795 0 40 DDAB Cn1cc(N2CCC[C@H](Nc3cn[nH]c(=O)c3Cl)C2)cn1 78931190 DBXBYKGPKNZJOM-VIFPVBQESA-N 308.773 1.238 0 40 DDAB CC(C)N(CCNC(=O)C1CCN(C(=O)C2CC2)CC1)C(C)C 41947750 CXHOOSNMEAPQCV-UHFFFAOYSA-N 323.481 1.870 0 40 DDAB Cc1cccc(CN2CCN(C(=O)CCn3cncn3)CC2)c1 41975241 LBRDQHFAELPKKI-UHFFFAOYSA-N 313.405 1.321 0 40 DDAB Cn1cccc1[C@H]1CCCN1C(=O)NCCNC(=O)C1CC1 79252662 IHOKXSHWJNEMMF-CQSZACIVSA-N 304.394 1.398 0 40 DDAB COc1cc(Br)ccc1C(=O)N1CCN(C)CC1 79333111 MTPTULUBILTUIQ-UHFFFAOYSA-N 313.195 1.845 0 40 DDAB O=C(NCCc1ccncc1)[C@H](c1ccccc1)n1cnnn1 79486454 WUHUDOLYZRHUET-HNNXBMFYSA-N 308.345 1.016 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN(CCC(=O)NC(N)=O)C2CC2)o1 42145866 RHBJQULRWLKGKM-GXFFZTMASA-N 305.378 1.952 0 40 DDAB NC(=O)[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 53791886 IIHUJTCVFUPCLH-OAHLLOKOSA-N 321.336 1.485 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H](C)O1 6086775 MAHMUKCBFRHJJJ-VXGBXAGGSA-N 301.346 1.032 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 6575185 YUEPELKFZGJIHU-HNNXBMFYSA-N 318.398 1.203 0 40 DDAB NC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 8172656 XIEXCFWAIDZTCV-LBPRGKRZSA-N 309.797 1.154 0 40 DDAB Cc1ccn2cc(C(=O)NCCN3CCCCCC3=O)nc2c1 42923345 XAUFJYXPFQTRAM-UHFFFAOYSA-N 314.389 1.775 0 40 DDAB NC(=O)[C@@H]1CCCN1c1ncnc2ccc(Br)cc12 112963610 LYIOIRZIZBFJCQ-NSHDSACASA-N 321.178 1.846 0 40 DDAB CCCc1nnc(NC(=O)NCc2nnc3n2CCC3)s1 43556550 XDVBZKYDZPCSRP-UHFFFAOYSA-N 307.383 1.350 0 40 DDAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc[n+]1[O-] 56272858 XMDVPNKTXRMZKL-CQSZACIVSA-N 314.341 1.224 0 40 DDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N1CCOCC1 27335523 CTATWTUCXRCTCM-ZDUSSCGKSA-N 315.377 1.712 0 40 DDAB CCCCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 3212984 KQWXEVUKCXDXTF-UHFFFAOYSA-N 319.409 1.604 0 40 DDAB CCS(=O)(=O)c1ccc(N2CCC(NC(C)=O)CC2)cc1 58292115 XXPAFTLWWQMURE-UHFFFAOYSA-N 310.419 1.585 0 40 DDAB CC1CCN([C@H](CNC(=O)NCCO)c2cccs2)CC1 44966285 AEENHTIBDJOBGM-CYBMUJFWSA-N 311.451 1.813 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1 44980187 OFKNTUBVIIXKNF-ZDUSSCGKSA-N 318.304 1.548 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 44934795 DJPGQMHXOKUBAG-AWEZNQCLSA-N 312.373 1.770 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)c3cnccn3)cn2)CCO1 44939162 FDLSJTMQPCYATF-LBPRGKRZSA-N 313.361 1.027 0 40 DDAB CONC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 23041175 LRNPUKAHHMVDLL-UHFFFAOYSA-N 320.370 1.803 0 40 DDAB CC[C@H](C)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1 58342950 SVTVPPRLHPLWJJ-JTQLQIEISA-N 318.464 1.846 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 10542236 GMRRCEVSYRAMID-UHFFFAOYSA-N 315.366 1.541 0 40 DDAB Cc1cc(NC(=O)CCn2cnc3ccsc3c2=O)no1 10768566 SQBCNHOTLFCNRO-UHFFFAOYSA-N 304.331 1.783 0 40 DDAB O=C(Cc1noc(C(=O)NCC2CC2)n1)NCc1ccccc1 36366298 KCYDTVUSOZTTJM-UHFFFAOYSA-N 314.345 1.068 0 40 DDAB C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@H](C)CO1 45448483 LYDBPWYRPSFAFV-VXGBXAGGSA-N 301.346 1.032 0 40 DDAB COC[C@H](O)CN(C)c1nc2cc(C)nn2c2ccccc12 60564691 ZHYVUIISOQOYSJ-GFCCVEGCSA-N 300.362 1.634 0 40 DDAB CNc1nnc(-c2ccc(Cl)c(S(N)(=O)=O)c2)s1 48345118 FQHBACUFEROGLZ-UHFFFAOYSA-N 304.784 1.548 0 40 DDAB CS(=O)(=O)/N=C(\O)c1cnn2c(-c3ccccc3)ccnc12 48487032 WEEYHRHMOXCCDN-UHFFFAOYSA-N 316.342 1.661 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)CCC(=O)N2 12971837 XEQFZZUOFHOWDI-UHFFFAOYSA-N 303.362 1.216 0 40 DDAB CCn1c(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc21 4484495 KLECAXDBIXJEJI-VIFPVBQESA-N 306.391 1.992 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)NC(=O)NC1CCCC1 5325888 KVBCTKNAEHSTJX-UHFFFAOYSA-N 314.349 1.109 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1ccc(C(N)=O)cc1)C1CCCC1 14120202 HLSQANCXLRMDLL-AWEZNQCLSA-N 303.362 1.419 0 40 DDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cn1 14269184 MFHWVBCJCMNQPV-UHFFFAOYSA-N 312.329 1.382 0 40 DDAB COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1F 9450293 AYEVVLALNAGRHO-JTQLQIEISA-N 301.339 1.093 0 40 DDAB CC1(C)S[C@H](CN2C(=O)c3ccccc3C2=O)N[C@H]1C(=O)O 4664662 IWTQYSIKQIVUJY-MNOVXSKESA-N 320.370 1.177 0 40 DDAB CCC(C)(C)NC(=O)[C@H](C)Nc1cccc(NC(=O)CO)c1 66582967 MJODWGQGEHGDIE-NSHDSACASA-N 307.394 1.723 0 40 DDAB Cc1ccc(C(=O)NC2CCS(=O)(=O)CC2)cc1Cl 72255107 XJGHTWCTHJZDGO-UHFFFAOYSA-N 301.795 1.955 0 40 DDAB COc1cc(NC(=O)c2ccc(=O)[nH]c2)cc(OC)c1OC 9514571 WZRNGUHUFYTLRP-UHFFFAOYSA-N 304.302 1.653 0 40 DDAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc2c(c1)OCO2 7535577 AZRZXNLWJYDKDI-LURJTMIESA-N 324.387 1.968 0 40 DDAB CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 15961381 BZOLJTGBMJTUMC-UHFFFAOYSA-N 316.398 1.751 0 40 DDAB C[C@H]1CN(C(=O)Cc2cnn(-c3ccccc3)n2)[C@@H](C)CO1 71852374 PSMVZVZVYQRDOV-STQMWFEESA-N 300.362 1.446 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)c2csc3c2CCCC3)CCO1 91293125 NTKQEGLRRKMWOR-SNVBAGLBSA-N 309.387 1.943 0 40 DDAB C[C@@H](Nc1cnn(CC(=O)N2CCOCC2)c1)C1CCCC1 97038939 AJSNHSNQUQEZHP-CYBMUJFWSA-N 306.410 1.733 0 40 DDAB O=S(=O)(CCc1ccccc1)NCCNc1ncccn1 71914585 XXCLAQQUJPOIRA-UHFFFAOYSA-N 306.391 1.051 0 40 DDAB CCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 69517900 MQFKPJVFNWBMLT-CHWSQXEVSA-N 320.393 1.637 0 40 DDAB Cc1nc(CN2CCCN(C(=O)COCC3CC3)CC2)cs1 69738464 LVFLTPVGZUIWRW-UHFFFAOYSA-N 323.462 1.912 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H]1CCCCN1CC(C)C)C2 69778961 KYBDTMDYMRFPFQ-CQSZACIVSA-N 305.426 1.439 0 40 DDAB CC[C@H](O)CCNS(=O)(=O)N1CCC(C(C)(C)C)CC1 92014809 FSTJWYIVHSDVBW-ZDUSSCGKSA-N 306.472 1.740 0 40 DDAB Cc1ccc(F)c(-n2nnnc2CNCCn2cccn2)c1 69875276 DLDLDTSSEFSWFA-UHFFFAOYSA-N 301.329 1.096 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ncnc2c1cnn2C 69951149 GVXVDESSKWDENK-KGLIPLIRSA-N 314.393 1.343 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1ccccc1-n1cncn1)CC2 69929924 LRVAVFGIMGFXKJ-CQSZACIVSA-N 309.377 1.272 0 40 DDAB Cc1cc(C(=O)Cn2nnc3c(cnn3C)c2=O)c(C)s1 94645624 VCDADQGAEKVDIP-UHFFFAOYSA-N 303.347 1.086 0 40 DDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@@H]2C[C@H](C)OC2=O)C1=O 8724605 DGOYYDYUERXRRL-PXTQAZKISA-N 320.320 1.687 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2CCCS(N)(=O)=O)n1 72253297 HZHFKFWRYKIODS-CQSZACIVSA-N 314.455 1.033 0 40 DDAB CCc1nnsc1C(=O)N1CCOC[C@H]1c1cccn1C 97144175 FIDSLEHSFPPEBU-LBPRGKRZSA-N 306.391 1.653 0 40 DDAB CC[C@H](CO)N1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 72306189 HIPDMDWGPXSNRD-MRXNPFEDSA-N 319.405 1.810 0 40 DDAB COCCS(=O)(=O)N(CC(C)C)C[C@H](O)c1ccccc1 95461914 ULWZXGYQRLGOLL-HNNXBMFYSA-N 315.435 1.654 0 40 DDAB CCOC[C@H](O)CN1CCCN(C(=O)c2cccc(C)c2)CC1 84801180 JANDNXAYKDXMSD-QGZVFWFLSA-N 320.433 1.540 0 40 DDAB Cc1cccc([C@@H](C)CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 95961124 BLIDKCIBGBAJAY-DZGCQCFKSA-N 324.446 1.927 0 40 DDAB CNC(=O)COc1cccc(CNCc2c(C)noc2C)c1 95951430 MTNNVRZBVKWYIE-UHFFFAOYSA-N 303.362 1.706 0 40 DDAB Cc1cc(C)c(CNC(=O)Cc2cn3ccsc3n2)c(=O)[nH]1 9931372 SNZWLQXAGSMECV-UHFFFAOYSA-N 316.386 1.560 0 40 DDAB COc1cc(OC)cc([C@H]2CCN(CCn3cncn3)C2)c1 89423933 UQFKIALBUYUWLW-ZDUSSCGKSA-N 302.378 1.785 0 40 DDAB CCc1ccc(NC(=O)CNC(=O)C2CC2)c(C(=O)OC)c1 75127505 RACUDIMDQXEBSQ-UHFFFAOYSA-N 304.346 1.500 0 40 DDAB Cn1c2ncccc2c(=O)n1CC(=O)NCc1cccs1 75138235 NOHKJHRUAMAVRI-UHFFFAOYSA-N 302.359 1.113 0 40 DDAB Cc1cn2c(CN(C)C(=O)[C@@H](C)n3cncn3)c(C)nc2s1 89740684 YHUGPLSRPVAJBN-LLVKDONJSA-N 318.406 1.824 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1n[nH]c2ccccc12 89919973 IXNXVHJROQGWAW-VHSXEESVSA-N 307.375 1.211 0 40 DDAB C[C@@H](NC(=O)COc1ccccc1CC(N)=O)c1ccccc1 89905650 XWUCTZXOBVQPTF-CYBMUJFWSA-N 312.369 1.971 0 40 DDAB O=C(CCOC[C@H]1CCCO1)N1CCC[C@H](c2ccn[nH]2)C1 75582358 FAMUJHSXILCEFA-UONOGXRCSA-N 307.394 1.701 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1C 175680516 NUNJEHOEZUIYQE-UHFFFAOYSA-N 304.799 1.868 0 40 DDAB COC(=O)[C@@H](NCc1nc2ccccc2c(=O)n1C)C(C)C 119236948 WLEWKDHMBWTCMO-AWEZNQCLSA-N 303.362 1.221 0 40 DDAB O=C(NCc1nccn1C(F)F)c1cc(O)nc(C2CC2)n1 553393184 OLWJDVWLCMTUQV-UHFFFAOYSA-N 309.276 1.581 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1c(C)nc3ccccc31)C2 65462541 OMMCDFGNQACSNO-CQSZACIVSA-N 323.400 1.981 0 40 DDAB CCn1ccc(CC(=O)N2CCC[C@H]2Cc2ccnn2C)n1 1551919282 JUHKOEFCPKTAAE-HNNXBMFYSA-N 301.394 1.413 0 40 DDAB CCOC1CC2(CCN(C(=O)N[C@@H]3CC[S@](=O)C3)C2)C1 557714631 VKNRYACDRJEOFP-ZLJYOQNPSA-N 300.424 1.108 0 40 DDAB CCn1cncc1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1 72392248 AGLXRMQGRKZFMM-KRWDZBQOSA-N 318.421 1.957 0 40 DDAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(c3ncccn3)C2)CCO1 79482018 HBWLCTFEWHJIQQ-KBPBESRZSA-N 318.421 1.767 0 40 DDAB NC(=O)CN1CCO[C@H](COc2cc(Cl)ccc2Cl)C1 217495716 MQMZUGXKOMMLLQ-JTQLQIEISA-N 319.188 1.558 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(NC)c(C(=O)O)c1 217701549 DGAUYWSTGJGRFN-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C 79410059 XBOYFHOOQVVNMU-OLZOCXBDSA-N 313.442 1.828 0 40 DDAB Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1 374828704 YPTWSVWJLAKXGE-UHFFFAOYSA-N 308.447 1.995 0 40 DDAB CN1CCN(CCCNC(=O)c2cc(C(C)(C)C)nn2C)CC1 35314380 QMJHEHCQEKZUEC-UHFFFAOYSA-N 321.469 1.085 0 40 DDAB CC(=O)Nc1nnc(S(=O)(=O)NC2CCCCCC2)s1 36182723 APQHYWUAVYACTQ-UHFFFAOYSA-N 318.424 1.498 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@@H]2CCC[C@@H]2SC)CC1 74195725 LJJKQKYXXSIURJ-CABCVRRESA-N 313.511 1.757 0 40 DDAB O=C(c1ccc(Cl)s1)N1CC(CN2C(=O)CCC2=O)C1 606440601 IQKKEDQWTQQZMJ-UHFFFAOYSA-N 312.778 1.623 0 40 DDAB O=C(NCc1cc(Br)c2c(c1)OCO2)c1cc[nH]n1 49096965 XLSRZLXMGZOLFF-UHFFFAOYSA-N 324.134 1.831 0 40 DDAB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 222324761 UPAAXCOGBXELPE-NOXHYTERSA-N 303.289 1.021 0 40 DDAB COc1ccc(-n2cc(CNC(=O)c3cccnc3)nn2)cc1 87423227 JSJVWUVFQIDKHB-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB CC(=O)N1CCO[C@@H]2CCN(C(=O)c3cccs3)CC[C@H]21 96249514 BJZJGRKOAZBJSA-CHWSQXEVSA-N 308.403 1.600 0 40 DDAB CN1C[C@H]2CCN(C(=O)Cc3ccccc3)CC[C@H]2S1(=O)=O 96263761 GFGHVWXXAXMMSD-HUUCEWRRSA-N 322.430 1.112 0 40 DDAB CN(C)C(=O)c1nc2c(s1)CCN(C[C@H]1CCOC1)CC2 96187580 ILYXVQCZOWVXAF-LLVKDONJSA-N 309.435 1.282 0 40 DDAB CN1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 96267297 MSYVBBMRMZSBEI-UHFFFAOYSA-N 301.394 1.375 0 40 DDAB O=C1[C@@H]2CCN(CC3CC3)C[C@@H]2OCCN1c1cccnc1 96107135 KZOLYGCCWZYAJF-CVEARBPZSA-N 301.390 1.545 0 40 DDAB Cc1cc(C(=O)NC[C@H]2OCCc3cn(CC4CC4)nc32)no1 96044368 SMRJGEZHICFMIP-CQSZACIVSA-N 316.361 1.633 0 40 DDAB c1cncc(CN2CCCn3nnc(CN4CCCC4)c3C2)c1 96259485 CAABMJIGKVCFJD-UHFFFAOYSA-N 312.421 1.675 0 40 DDAB CC(C)N1CC[C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C1=O 95418854 HPYDRVHSHPWFOK-LBPRGKRZSA-N 319.409 1.818 0 40 DDAB Cc1cc(O)cc(=O)n1CC(=O)Nc1nnc(C2CCC2)s1 96224233 UKUSMIJWMAMDKA-UHFFFAOYSA-N 320.374 1.620 0 40 DDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)c2cccs2)C3)n1 96110045 VROYXMXINQSKRW-QMTHXVAHSA-N 305.359 1.480 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 96110667 SFWGHWSITSTJQY-CHWSQXEVSA-N 300.387 1.747 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1 94071739 WOJFOLGGRFSMNS-UHFFFAOYSA-N 312.435 1.514 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2ccnn21 247852984 WKLCVVLROOSSBD-ZDUSSCGKSA-N 316.361 1.426 0 40 DDAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)c2cnc(C)nc2)n1 257270911 MWDNGYQSNDWUSG-MRXNPFEDSA-N 312.377 1.617 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)CCn2ccnc2)cc1 257298826 RNKWHTFLFWUAPB-INIZCTEOSA-N 314.389 1.455 0 40 DDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1cccnc1 257277468 NYCNWVFUZKKOLF-QGZVFWFLSA-N 311.389 1.451 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc(F)c(Cl)c2)CCO1 257214914 CNYPCOXRNRYEJA-AWEZNQCLSA-N 314.744 1.456 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@@H](CCc2ccncn2)C1 257215310 CPOFLSOPNXFJTK-AWEZNQCLSA-N 316.361 1.555 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)NCCCc2ccccc2)C1 257207233 BGYMZTGIMOPKBV-QGZVFWFLSA-N 304.390 1.373 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)COc3ccccc3)CCO2)n1 257334556 YGKXLIPYSCCEDW-CQSZACIVSA-N 301.346 1.697 0 40 DDAB Cc1cn(C)c([C@H]2CCN(C(=O)CCn3ccc(C)n3)C2)n1 257328035 XDVMCBZQKZCHJT-AWEZNQCLSA-N 301.394 1.640 0 40 DDAB CNc1ncccc1CN1CCO[C@H](c2nccnc2NC)C1 257312383 UNRLABKCBUWRCB-ZDUSSCGKSA-N 314.393 1.529 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cscn3)CCO2)n1 257340226 ZFDIKFSLWDYMNE-LLVKDONJSA-N 306.347 1.161 0 40 DDAB O=C1CN(C(=O)c2ccc(Cc3cccc(F)c3)nc2)CCN1 257316420 VFMVEHLSQZOENS-UHFFFAOYSA-N 313.332 1.384 0 40 DDAB Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)on1 257200956 AFMUTIGQYJXHGK-MRXNPFEDSA-N 316.361 1.091 0 40 DDAB O=C1OC2(CCOCC2)CN1c1cnc([C@H]2CCCNC2)cn1 257292613 QMHDNLUMPRDUIF-LBPRGKRZSA-N 318.377 1.449 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257329472 XKCJEEOUUIRNFR-ZDUSSCGKSA-N 303.366 1.047 0 40 DDAB Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257330111 XMWVMHGMCYCKOF-HZSPNIEDSA-N 311.389 1.778 0 40 DDAB CCn1cc(CN2CCO[C@@H](c3cc(O)nc(C)n3)C2)c(C)n1 257283116 OWUXFAGRNGVHIP-OAHLLOKOSA-N 317.393 1.589 0 40 DDAB CC(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2COCCN2)cc1 261969614 CQWVWHNRUZDOQB-CVEARBPZSA-N 305.422 1.305 0 40 DDAB CN1CC[C@@H](NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)C1=O 363553904 YKCOZOWRFVDYOM-HUUCEWRRSA-N 319.380 1.773 0 40 DDAB O=C1CCCN1CCN1CCN(CCc2ccccc2)CC1 298715724 MBUJNQODMOAOGJ-UHFFFAOYSA-N 301.434 1.469 0 40 DDAB CCCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccn3C)[C@H]2C1 575406359 XFKSBPHOQUMENQ-GZBFAFLISA-N 319.405 1.028 0 40 DDAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)C3(F)CC3)C2)OC1 575406258 WHBPKZLWBMYQAI-LBPRGKRZSA-N 310.369 1.119 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3CC(F)C3)C[C@H]2O1)NCC1CC1 585109292 HDSJXXKUPSGQQY-NNVWEFMASA-N 324.396 1.267 0 40 DDAB CCCCC(=O)N1CCn2cc(C(=O)NCCOC)nc2[C@@H]1C 585096539 RYMGKMZRKHAOMZ-LBPRGKRZSA-N 322.409 1.353 0 40 DDAB COCCN1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1=O 585107812 CFXNSSPXENBCIM-GOEBONIOSA-N 316.401 1.562 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 585178888 BAAOOOZZEXUGGT-LLVKDONJSA-N 321.406 1.081 0 40 DDAB CN(C)c1ncccc1CNC(=O)CCNc1ncccn1 48236943 LTRQNAGUOUSWHU-UHFFFAOYSA-N 300.366 1.056 0 40 DDAB CCN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 53052406 BHDKQBSHYSBKKX-CYBMUJFWSA-N 310.419 1.064 0 40 DDAB Cc1noc(C)c1CN(C)[C@@H]1CCCN(c2cnn(C)c2)C1=O 72513670 FDZSFLZXYRNHOA-OAHLLOKOSA-N 317.393 1.652 0 40 DDAB Cn1nc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)ccc1=O 79112723 YQPKVDHCVCQUGD-CQSZACIVSA-N 312.373 1.497 0 40 DDAB Cn1cnc2c(NCc3cccnc3N3CCCC3)ncnc21 664191487 JEHCMIYWAJPUHB-UHFFFAOYSA-N 309.377 1.971 0 40 DDAB Cc1ccccc1-c1nnn(CC(=O)Nc2nccs2)n1 11690457 COVPWCFKAJVVEY-UHFFFAOYSA-N 300.347 1.744 0 40 DDAB O=C1N[C@@]2(CCCN(C(=O)c3ccccn3)C2)Nc2ccccc21 12089247 RVDWOECFDQZFKA-GOSISDBHSA-N 322.368 1.869 0 40 DDAB Cc1cccnc1NC(=O)CNC(=O)c1ccc2c(c1)OCO2 12527558 QXWUDTKYDMQNII-UHFFFAOYSA-N 313.313 1.487 0 40 DDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NC(C)C 13582751 CDUPADSOHDOPKI-UHFFFAOYSA-N 300.380 1.229 0 40 DDAB CC[C@H](C(=O)N(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715107 ZDNFYNMXTIZGFG-GFCCVEGCSA-N 302.371 1.459 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccco2)cc1 14141526 CWUHTNRYKHXXBU-UHFFFAOYSA-N 301.302 1.607 0 40 DDAB N[C@@H](CCCNc1nc(=O)cc(-c2ccccc2)[nH]1)C(=O)O 16951740 HPTVYAYAZFKLQF-NSHDSACASA-N 302.334 1.041 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458307 PZQPWESTEOJOSP-QWHCGFSZSA-N 316.405 1.904 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@@H](OCCO)c1cccs1 575622483 ZECQICVKTNWGOJ-CYBMUJFWSA-N 324.402 1.762 0 40 DDAB Cc1nc(C(F)F)cc(N2CCN(Cc3ncon3)CC2)n1 1888860529 VLZWDPQSXBAIOB-UHFFFAOYSA-N 310.308 1.428 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)ncc1F 1889122787 DTBVPYQKKUSTNT-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB O=C(NCCn1cccc1)c1ccnc(O[C@@H]2CCOC2)c1 244975181 IFKQNOWUWHYKLR-CQSZACIVSA-N 301.346 1.481 0 40 DDAB CC(C)N1C[C@@]2(CCN(C(=O)c3cscn3)C2)COCC1=O 2037984912 RMJAKNIYQQFUJH-HNNXBMFYSA-N 323.418 1.243 0 40 DDAB O=C(O)CCCC(=O)Nc1ccc(CN2CCOCC2)cc1 4783962 RJWNZPRPJBPWPY-UHFFFAOYSA-N 306.362 1.712 0 40 DDAB Cc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1C 4854882 UYOQJWLTLJZNIB-UHFFFAOYSA-N 319.390 1.008 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)cc1 18068610 XQVVTYRVPVWLGD-PHIMTYICSA-N 306.387 1.813 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)Cc1ccccc1Cl)OC 575613609 VFINZAYZHBOQAI-CYBMUJFWSA-N 321.826 1.811 0 40 DDAB COc1ccc2[nH]c(=O)c(CNC[C@H]3COCCO3)cc2c1 19563541 VQSONHBAQXPUNG-AWEZNQCLSA-N 304.346 1.042 0 40 DDAB COC(=O)c1ccc(CN(C)C(=O)c2nccnc2N)cc1 30206393 VJYDTFJQXYZKRB-UHFFFAOYSA-N 300.318 1.118 0 40 DDAB Nn1c(SCc2ccc(Br)cc2)nncc1=O 149373 WKWCEWARJNPVQD-UHFFFAOYSA-N 313.180 1.407 0 40 DDAB CCN(CC)C(=O)N1CCN(Cc2nnc(C(C)(C)C)o2)CC1 40513725 ZRPPRTCAPGIMOF-UHFFFAOYSA-N 323.441 1.947 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2cc(Cl)ccc21 32071248 CNJCBTWKGREIPM-ZDUSSCGKSA-N 305.765 1.771 0 40 DDAB CC(C)[C@@H](C)NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 21577435 MOKSSZSSZXNRMJ-LLVKDONJSA-N 323.418 1.601 0 40 DDAB Cn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc(Cl)c1Cl 32977436 BAXPHXUSDNDDEX-LURJTMIESA-N 311.190 1.249 0 40 DDAB CC(C)Oc1ccc(C(=O)N2CCC3(CC2)OCCO3)cn1 32924529 YGIDADMMMIEXDN-UHFFFAOYSA-N 306.362 1.848 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)NCCc1cccs1 22002997 VFRRLDFVXLRULY-UHFFFAOYSA-N 313.382 1.817 0 40 DDAB CN(CC(=O)O)S(=O)(=O)c1ccc(Br)s1 2927935 YGQMCSUBRSQODB-UHFFFAOYSA-N 314.182 1.216 0 40 DDAB CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)(CO)c1ccccc1)C2 103570019 ICTCLIOSQZBOFS-ZSHCYNCHSA-N 319.401 1.077 0 40 DDAB in-vitro CC1(C)C[C@H](NC(=O)Cn2nc3c(cc2=O)CCCC3)CCO1 79484488 ZXFJCQXYIHEFSX-CYBMUJFWSA-N 319.405 1.196 0 40 DDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)c1ccccc1F 22612849 GFLNAVJLWSNTLR-CQSZACIVSA-N 308.334 1.436 0 40 DDAB CCC(=O)Nc1ccc(C(=O)CSc2nnnn2C)cc1 4807614 RBEOVBGAEOPSBP-UHFFFAOYSA-N 305.363 1.534 0 40 DDAB CN(C)CCCNCC(=O)Nc1ccccc1N1CCOCC1 4926846 CFPLMZITFMFDJE-UHFFFAOYSA-N 320.437 1.003 0 40 DDAB CSCSC[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 6487552 SUZZRCMFSGXJFT-LLVKDONJSA-N 321.489 1.688 0 40 DDAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 7287882 PVRPMKYLXNIJDC-LBPRGKRZSA-N 309.410 1.792 0 40 DDAB Cc1sc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1C 55092777 DWRXLWYELYYLCP-UHFFFAOYSA-N 320.370 1.937 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101459030 CLIWOKSOYWCYRK-FQUUOJAGSA-N 305.330 1.820 0 40 DDAB O=C1[C@H]2CCCN2C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1 24719717 NGGDOSQMPCETAE-DGCLKSJQSA-N 324.764 1.506 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 106838516 CAKPUPUDPHFLSA-IAQYHMDHSA-N 316.405 1.908 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)c1cn[nH]n1)CC2 56463051 KBQGLAQZLRXRPU-UHFFFAOYSA-N 302.334 1.063 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 44022341 SYBDKCWWHMMIAN-VIFPVBQESA-N 305.359 1.741 0 40 DDAB C[C@H](NC(=O)c1cccnc1OCC(F)(F)F)c1nc[nH]n1 95405476 KWNHZJPJWFWHJR-ZETCQYMHSA-N 315.255 1.632 0 40 DDAB COC(C)(C)CNC(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1 95436942 IHSNASAKYJCWRY-NSHDSACASA-N 320.311 1.862 0 40 DDAB COC(=O)c1sccc1Cn1cc(-c2nnco2)ccc1=O 95411456 QRKUTPBQYVWNJK-UHFFFAOYSA-N 317.326 1.795 0 40 DDAB CCCCNC(=O)c1ccc(CNC(=O)c2cc[nH]n2)cc1 58194648 KNUXQDGNBXZPNJ-UHFFFAOYSA-N 300.362 1.870 0 40 DDAB O=C1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1CC1CC1 108532609 BJOOYXXFHQGRHB-HNNXBMFYSA-N 320.433 1.664 0 40 DDAB COCCN1CCC(NC(=O)CN(C)Cc2ccccc2)CC1 58265022 YURLLUVSOHLSLF-UHFFFAOYSA-N 319.449 1.345 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1 44951919 HDXACHHLFVOTJE-DGCLKSJQSA-N 301.350 1.956 0 40 DDAB CCCCN(C)S(=O)(=O)N(C)Cc1nc2ccccc2[nH]1 44914330 HAQYOXNMDJFXDR-UHFFFAOYSA-N 310.423 1.971 0 40 DDAB NC(=O)NC[C@@H]1CCCN(Cc2cnn(-c3ccccc3)n2)C1 44975691 KXRNEVKXWCOVQH-ZDUSSCGKSA-N 314.393 1.148 0 40 DDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(F)cc1 12784968 YXLAOIBWTXPOOL-SNVBAGLBSA-N 304.373 1.852 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1n[nH]c2ccccc12 21922106 AWUGUZAZZNVCBD-UHFFFAOYSA-N 302.378 1.940 0 40 DDAB O=c1oc(-c2ccccc2)nn1CN1CCC2(CC1)OCCO2 36391099 VBPTVVONRPZKPG-UHFFFAOYSA-N 317.345 1.300 0 40 DDAB O=S(=O)(c1ccc2c(c1)nc1n2CCC1)N1CCOCC1 2364348 HVJWHCWFPYPAJL-UHFFFAOYSA-N 307.375 1.003 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 48345280 YUWYTFGWNPONNG-BYCMXARLSA-N 300.362 1.229 0 40 DDAB CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1N 11520669 GOEWOUQOJMSKJI-UHFFFAOYSA-N 320.418 1.365 0 40 DDAB O=S(=O)(c1cccs1)N1CCC[C@H]1CN1CCCC1 60113413 FDAVRQNGYWHSEX-LBPRGKRZSA-N 300.449 1.997 0 40 DDAB CN(CC(N)=O)CC(=O)NCCc1cccc(Cl)c1Cl 48871965 GLIJDXTVMIBZBR-UHFFFAOYSA-N 318.204 1.069 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCCOc1ccc(F)cc1)C2 71186488 UWSJLDLPDMLZPQ-UHFFFAOYSA-N 318.352 1.927 0 40 DDAB COc1ccc(-c2cc3c(=O)[nH]nc(S)n3n2)cc1OC 13363097 HGQQTWCIUBRCRH-UHFFFAOYSA-N 304.331 1.391 0 40 DDAB CC1(C)CC(=O)c2cc(C(=O)Nc3ncccn3)c(=O)[nH]c2C1 49550694 JTPOFUFSOVRICG-UHFFFAOYSA-N 312.329 1.572 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1sccc1C 4276533 OFOCXKXLGCRGDU-NSHDSACASA-N 310.375 1.874 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@@H](N2CCCC2)C1 65423358 HMUDXRRSIQUESJ-CQSZACIVSA-N 318.425 1.158 0 40 DDAB COc1ccnc(N2CCN(c3ncccc3Cl)CC2)n1 65465490 DCZCGGYZSNOTNB-UHFFFAOYSA-N 305.769 1.860 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCSC2=O)cc1 5545587 WQKUURKVGDYWJD-SNVBAGLBSA-N 314.388 1.015 0 40 DDAB O[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 72285231 OVQXJQNHJVBPHO-CYBMUJFWSA-N 315.339 1.993 0 40 DDAB COc1ccccc1C[C@@H](C)CC(=O)NCCc1nncn1C 72281080 ZIBUXNJHSGDENE-CYBMUJFWSA-N 316.405 1.751 0 40 DDAB CC(C)C[C@H](NC(=O)[C@@H](C)n1cccn1)C(=O)Nc1cc[nH]n1 84294854 CSIAPDILLAUQJT-NEPJUHHUSA-N 318.381 1.337 0 40 DDAB CCCn1c(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]c1=O 5966061 ROGQZAFSSNUFHK-NSHDSACASA-N 320.418 1.951 0 40 DDAB CN(C)CCCNC(=S)N1CCN(c2ccccc2)CC1 5939899 DKLLULDWCUYQNM-UHFFFAOYSA-N 306.479 1.635 0 40 DDAB C[C@H](NCc1nnnn1C1CC1)c1ccc(S(C)(=O)=O)cc1 90172528 RILFQPYAKSOFHI-JTQLQIEISA-N 321.406 1.262 0 40 DDAB CNC(=O)[C@@H]1CCCN1CCOc1cccc(C(=O)OC)c1 67978788 BIJGANGLQHKBHA-AWEZNQCLSA-N 306.362 1.062 0 40 DDAB CC(C)[C@H](CNC(=O)NCc1ccccn1)N1CCN(C)CC1 71798614 FRKDJPDPWKHPHM-INIZCTEOSA-N 319.453 1.153 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC1CCN(c2nccs2)CC1 96494797 WANIWPJVJUPERN-ZDUSSCGKSA-N 310.467 1.862 0 40 DDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1ccnc(F)c1 96454618 GNCQRJBYEWALGV-UHFFFAOYSA-N 305.353 1.790 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccn1 8289902 LBVIIHFBBQGNNK-UHFFFAOYSA-N 304.371 1.562 0 40 DDAB O=S(=O)(CCNc1cccc(F)n1)N1CCSCC1 70021387 MOKKSRFALCMVLP-UHFFFAOYSA-N 305.400 1.011 0 40 DDAB Fc1ccc(OCCCN2CCO[C@H](Cn3cncn3)C2)cc1 70020992 RVMRNPVKTCWSJI-INIZCTEOSA-N 320.368 1.587 0 40 DDAB CC(C)(C)c1cnc(Cn2nnn(-c3cccs3)c2=O)o1 69348212 AXBZZHWWNFRKQO-UHFFFAOYSA-N 305.363 1.824 0 40 DDAB Cc1ccccc1[C@@H](CC(=O)Nc1ncccc1O)NC(N)=O 69327590 KLBOJDKHXXAKAU-GFCCVEGCSA-N 314.345 1.834 0 40 DDAB O=S(=O)(NCC1(O)CCOCC1)c1cccc2cccnc12 178665644 UVPFIKOGILLOJW-UHFFFAOYSA-N 322.386 1.055 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCc2nnnn2-c2ccccc2)c1 69528881 LGJWNSZTHUDSLJ-UONOGXRCSA-N 311.393 1.907 0 40 DDAB CSCC[C@H](C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O 17300630 MKJVRWXOECNAMP-CYBMUJFWSA-N 320.414 1.929 0 40 DDAB C[C@@](O)(CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1 71859926 SATDXCPSXXKDKA-FUHWJXTLSA-N 312.417 1.943 0 40 DDAB CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCC[C@H](O)C1 69656262 NKIMRQBTPCVUDE-HNNXBMFYSA-N 319.405 1.201 0 40 DDAB CCCCc1nc(CN2CCC[C@H](Cn3cncn3)C2)no1 69658083 AYQUKDWBSMTPJZ-ZDUSSCGKSA-N 304.398 1.916 0 40 DDAB CCn1cc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)cn1 69740964 ZGGVTPOQIFMXKV-OAHLLOKOSA-N 306.410 1.116 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCc3ccccn3)C[C@H]2C)CC1 84714533 ZYHZPZVAQRCULT-QAPCUYQASA-N 316.449 1.109 0 40 DDAB Cc1nn(C)cc1C(=O)COc1ccc(S(C)(=O)=O)cc1 69918177 DQCDSYIUSSPCRT-UHFFFAOYSA-N 308.359 1.394 0 40 DDAB CC(C)NC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 69977184 BFBXNRYXRMSOQM-UHFFFAOYSA-N 324.469 1.419 0 40 DDAB CC1CCN(C[C@H](O)Cn2cnc3sccc3c2=O)CC1 71825080 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1.963 0 40 DDAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CCOCC1 225724209 JFIJOWHYKJANKH-UHFFFAOYSA-N 306.749 1.514 0 40 DDAB CCC(CC)C(=O)NCc1nc(C)cc(N2CCOCC2)n1 224175528 JADGPXJIFAGIPW-UHFFFAOYSA-N 306.410 1.674 0 40 DDAB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 229852996 KAXCZSAKZGTKSB-GUYJKWIASA-N 319.744 1.535 0 40 DDAB CO[C@@H]1CN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)CC[C@@H]1C 225587767 MAIZESWYKABSDI-IVZWLZJFSA-N 308.300 1.033 0 40 DDAB Cc1ccccc1-c1noc(=O)n1CCN1CCO[C@H](C)C1 332009760 ZJIBQDMSAAKNFK-CYBMUJFWSA-N 303.362 1.532 0 40 DDAB COC(=O)C1CCC(N[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 192445590 RTJGCPGROMGLDI-VQXHTEKXSA-N 322.327 1.471 0 40 DDAB CC(C)CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 96445162 PCOJXXWIGDKEAD-UHFFFAOYSA-N 317.433 1.988 0 40 DDAB CCN1CCO[C@@H]2CN(Cc3cccnc3OC)CC[C@@H]2C1 96249565 PUHUOJYPBFPRNC-GDBMZVCRSA-N 305.422 1.633 0 40 DDAB Cn1ccnc1CN1CCc2ncnc(-c3cccnc3)c2CC1 96255309 WTBMLWNMVHSZJR-UHFFFAOYSA-N 320.400 1.873 0 40 DDAB CC(=O)N1CCOC[C@H]1c1nccc(NCc2cccnc2)n1 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COCC(=O)N1C[C@@H](OCc2cccc(C)n2)[C@H]2OCCC[C@H]21 96065942 NPQYWHILVRMCSK-INMHGKMJSA-N 320.389 1.311 0 40 DDAB CCOCC(=O)N1CCC[C@]2(CCN2Cc2c(C)noc2C)C1 585102292 WKRKCTWIZPMBPE-KRWDZBQOSA-N 321.421 1.895 0 40 DDAB COC(=O)CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21 72335730 RCXGYXXTFUWTIE-UHFFFAOYSA-N 307.737 1.905 0 40 DDAB COC(=O)[C@H](NS(=O)(=O)Cc1cc(C)no1)c1ccccc1 72301869 CBOUIOKPQDLSGX-CYBMUJFWSA-N 324.358 1.317 0 40 DDAB CC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@@H]1C[C@@H]1C 55739129 XVDLZJZUUPOIKW-DZGCQCFKSA-N 303.406 1.981 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COc1nnc(-c2ccccc2)o1 73507987 WYRGXNQMMDHTAQ-UHFFFAOYSA-N 318.333 1.740 0 40 DDAB Cc1cccc(NC[C@@H]2CCCN2C(=O)Cn2cncn2)n1 75141333 DNYUGUCGVJIRFW-ZDUSSCGKSA-N 300.366 1.085 0 40 DDAB CN(C)C(=O)CC(=O)Nc1ccnn1CCc1ccccc1 76061131 JNBYSKIUTALSEG-UHFFFAOYSA-N 300.362 1.543 0 40 DDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)Cc1ccco1 83701669 SFISKDXAIAFOAH-MFKMUULPSA-N 303.366 1.945 0 40 DDAB CC1CCN(C(=O)Cn2nc(-c3ccco3)cc(N)c2=O)CC1 12146659 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Cc1nc(COc2ccc(C(=O)NC[C@H]3CCCO3)cc2)no1 27396889 CMIYLGZZOUHAFN-CQSZACIVSA-N 317.345 1.866 0 40 DDAB CC(C)(C)OC(=O)N1CC(NC(=O)CCCn2cccn2)C1 71911400 FKXAOHBJDYCFQQ-UHFFFAOYSA-N 308.382 1.399 0 40 DDAB C[C@@H](OC[C@@H](O)CNC(=O)c1ccncc1)c1ccccc1 58166289 MIWVXZSAIZMWNN-CJNGLKHVSA-N 300.358 1.950 0 40 DDAB COc1ccc([C@H](C)NC(=O)N[C@H]2CCCCNC2=O)cc1F 44967104 AQSMAOVFMGYWRS-GWCFXTLKSA-N 323.368 1.863 0 40 DDAB O=C(NCCC(=O)N(C[C@@H]1CCOC1)C1CC1)c1ccco1 44941039 JQQMKTSUKWCVJT-LBPRGKRZSA-N 306.362 1.427 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccccc1F 44955337 KEYFVXBECMORMF-RISCZKNCSA-N 306.341 1.444 0 40 DDAB O=C(NCc1ncc[nH]1)[C@H]1CCCCN1C(=O)c1cccs1 114339564 NXPIHDOYMZQDQE-LLVKDONJSA-N 318.402 1.782 0 40 DDAB CCN1CCC[C@@H](CNC(=O)CN(C)C(=O)c2cccs2)C1 58394225 BSGXZGGCXMQITP-ZDUSSCGKSA-N 323.462 1.668 0 40 DDAB C[C@H]1COCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 48275494 AVFUIGYTKNYJMQ-KBPBESRZSA-N 307.394 1.847 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C)N1CCOCC1 46261984 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BCGKBXUXFNJJMG-JTQLQIEISA-N 308.359 1.726 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)Nc1c[nH]ccc1=O 69378227 VCQFZFIYOXPFNW-UHFFFAOYSA-N 313.313 1.129 0 40 DDAB CS(=O)(=O)/N=C(\O)C1CCN(c2ccc(Cl)cn2)CC1 91437150 VDHUOVPTOVXUMR-UHFFFAOYSA-N 317.798 1.868 0 40 DDAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 70173650 JVWIRUPHBUEESQ-RKDXNWHRSA-N 322.352 1.852 0 40 DDAB CC(C)c1nnc(NC(=O)N2CCNC(=O)[C@H]2C(C)C)s1 69570145 QMLHXEQWHDDIOO-SECBINFHSA-N 311.411 1.650 0 40 DDAB CC1CCN(C(=O)[C@@H]2CCCN([C@@H]3C[C@H](C)OC3=O)C2)CC1 69562923 WOQZJBBDPYWISR-RRFJBIMHSA-N 308.422 1.661 0 40 DDAB O=C(Cn1cccn1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91765675 STYQWQNILRYOSI-SMDDNHRTSA-N 307.300 1.496 0 40 DDAB O=C(c1ccccc1)N1CCC[C@H](Nc2ccc3nnnn3n2)C1 69660865 VIDUSZZHYZPUHG-ZDUSSCGKSA-N 323.360 1.236 0 40 DDAB Cc1ccc(C[C@H](C)N(C)C(=O)NCCN2CCOCC2)cc1 96415188 VWXLYLNUNUCESP-INIZCTEOSA-N 319.449 1.900 0 40 DDAB CCc1nnc2n1CCN(CC(=O)Nc1ccc(Cl)cn1)C2 69878226 QRCIWTUNPNIPCS-UHFFFAOYSA-N 320.784 1.343 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 69878279 UJEFTVCHHQNASE-HNNXBMFYSA-N 320.437 1.414 0 40 DDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C(=O)C2CC2)CC1 8720059 DSNOOBIUCLCRBN-UHFFFAOYSA-N 324.384 1.771 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 9549636 RWAMAFOPLPRPLJ-LLVKDONJSA-N 312.391 1.093 0 40 DDAB C[C@@H]1CC[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)O1 97086618 ZZPXUIBCGVHJOW-SWHYSGLUSA-N 322.792 1.907 0 40 DDAB CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)c1cccs1 97032164 DJZABLFZUKPRRK-JTQLQIEISA-N 304.437 1.597 0 40 DDAB C[C@@H]1CC[C@H](C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)O1 97086616 ZZPXUIBCGVHJOW-HONMWMINSA-N 322.792 1.907 0 40 DDAB Cc1cccc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 97049043 MXRRZNSBYXLBHS-UHFFFAOYSA-N 322.474 1.690 0 40 DDAB CCCc1cc(NC(=O)CNC(=O)c2cc(C)oc2C)n[nH]1 72286987 POJWDRLSCIXDMK-UHFFFAOYSA-N 304.350 1.941 0 40 DDAB C[C@H](Cn1cccn1)NC[C@H](O)c1ccc2c(c1)OCCO2 72273095 BITYSZRWZHESTJ-OCCSQVGLSA-N 303.362 1.366 0 40 DDAB CCC(CO)(CO)NC(=O)c1cccc(-c2ccccn2)c1C 97138290 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COc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cn1 54484262 YJUPGGAYVRHQOG-UHFFFAOYSA-N 303.284 1.410 0 40 DDAB C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)CCn1cnccc1=O 556991908 AFIDCVPNTOBMMC-QFYYESIMSA-N 317.320 1.411 0 40 DDAB CCCCC(=O)N1CC2(C1)[C@H](COCC)CCS2(=O)=O 306126710 FCTILALXMNKNFN-LBPRGKRZSA-N 303.424 1.229 0 40 DDAB COc1ccc([C@@H](NC(=O)NCc2ncccn2)C2CC2)cn1 528053815 YKKFUTBQMRFVCP-HNNXBMFYSA-N 313.361 1.831 0 40 DDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 32138799 YMWFHSQAAOPGHO-CRWXNKLISA-N 313.309 1.306 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N(C(=O)CN)C1CC1 79391171 HJYWOEQQOMDQGK-CHWSQXEVSA-N 311.426 1.772 0 40 DDAB Cc1cc(-c2cccnc2)nc([C@H]2CCCN2S(C)(=O)=O)n1 72365181 MVBMHEMCFFVEPB-CQSZACIVSA-N 318.402 1.944 0 40 DDAB CC(=O)Nc1cccc(NC(=O)c2nccnc2C(=O)O)c1 32103545 FUMLBMXMCBNYGJ-UHFFFAOYSA-N 300.274 1.386 0 40 DDAB S=C(NC1CC1)N1CCN(C2Cc3ccccc3C2)CC1 225211961 KFWNMBYFJNLXSO-UHFFFAOYSA-N 301.459 1.808 0 40 DDAB C[C@H]1C[C@H]1c1nnc2ccc(N3CCC(C(=O)O)CC3)nn12 568396629 QQUKQHZMJWQECU-GXSJLCMTSA-N 301.350 1.549 0 40 DDAB Cc1cccc([C@H]2C(=O)NCCN2Cc2nc(C(=O)O)co2)c1 571062140 NPZSREVIOFHSID-AWEZNQCLSA-N 315.329 1.354 0 40 DDAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 225478374 COZGRNVGLKAZTP-DTWKUNHWSA-N 322.352 1.852 0 40 DDAB COc1ccccc1NC(=O)NCc1ccnc(N(C)C)n1 224238201 RXHMDPIMHWRXAL-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB COC(=O)Cc1ccccc1C(=O)N[C@H](C)c1cnn(C)c1C 225800040 RADSHCGVQUUYQG-LLVKDONJSA-N 315.373 1.935 0 40 DDAB CNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225763985 XWTFVWYFLGXCII-UHFFFAOYSA-N 312.376 1.007 0 40 DDAB CC(C)NC(=O)CNC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 222281339 LTSXGWZRUKMZOF-UHFFFAOYSA-N 317.389 1.561 0 40 DDAB O=C(CCc1nc[nH]n1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331508508 KPUDMXIGASOPPD-GXFFZTMASA-N 322.315 1.350 0 40 DDAB CCCCN(C(=O)Cn1ccnc1C)[C@H]1CCS(=O)(=O)C1 193269262 YCIXKVHPRZZZEA-ZDUSSCGKSA-N 313.423 1.007 0 40 DDAB O=C([C@H]1CN(Cc2ccco2)C[C@H]2OCC[C@H]21)N1CCCCO1 96041189 LGGCZDKCUIMCEY-HRCADAONSA-N 320.389 1.671 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2OCCc3cn(CC4CC4)nc32)no1 96044369 SMRJGEZHICFMIP-AWEZNQCLSA-N 316.361 1.633 0 40 DDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 96038834 GBOVGBYCJOXHQJ-IUODEOHRSA-N 323.418 1.288 0 40 DDAB Fc1cnc(N[C@@H]2CO[C@@]3(CCN(c4ncccn4)C3)C2)nc1 96072808 GVGPKBNTOUOIQZ-WFASDCNBSA-N 316.340 1.256 0 40 DDAB CCN1CCN(CCCCNC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)CC1 96439226 BVKGGGSFOLCBHX-IYBDPMFKSA-N 322.497 1.702 0 40 DDAB Cn1cc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)cn1 96427137 JBFLRMPOSVFPGC-INIZCTEOSA-N 314.389 1.650 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1sc(C)nc1C 96439684 XUSONHOOIFAQRQ-WPRPVWTQSA-N 312.439 1.862 0 40 DDAB C[C@H]1CN(C)C[C@@]12COCCN(C(=O)Cc1ccc(F)cc1)C2 96202376 TUGBVLPDIKGAKO-KBXCAEBGSA-N 320.408 1.795 0 40 DDAB O=C1CCC[C@@H](CC(=O)N2CCOc3c2ccc(F)c3F)N1 333255326 DDIQCXZJOWNHEA-VIFPVBQESA-N 310.300 1.749 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4ccc(C)o4)C[C@H]3O2)n1 96218967 GOIUMRMHGPINOZ-SGMGOOAPSA-N 317.345 1.752 0 40 DDAB COCc1nc(C(=O)N2CC[C@@H](c3nccn3C)C2)cs1 534442484 OCBQQUWNFCMRBO-SNVBAGLBSA-N 306.391 1.653 0 40 DDAB CC(C)Cn1cc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cn1 96192212 ZQBVTCLTHZUZST-CQSZACIVSA-N 318.421 1.905 0 40 DDAB O=C(Cc1ccccc1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96182399 LWMNRAMVXWWELI-IYBDPMFKSA-N 308.385 1.614 0 40 DDAB O=C(N[C@@H]1COc2ccccc2C1=O)c1[nH]nc2c1CCCC2 96492985 CVIZBSNPUYFZTO-CYBMUJFWSA-N 311.341 1.662 0 40 DDAB COC(=O)c1ccc(NC(=O)Cn2c(C)cccc2=O)cc1 94986193 VOKJGHPKZPLZCX-UHFFFAOYSA-N 300.314 1.582 0 40 DDAB Cc1ncsc1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257277648 NYVOTQUYMCAUMW-CYBMUJFWSA-N 318.402 1.715 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2cnccn2)C1 257300940 RWHUKONFEXAMOE-GFCCVEGCSA-N 308.345 1.768 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2csc(C)n2)CCO1 257321941 WDYWBZZAMFHQSK-GFCCVEGCSA-N 305.407 1.857 0 40 DDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@H]1c1ccnc(O)n1 257229239 FXHVSNBEXILZAU-CQSZACIVSA-N 315.377 1.520 0 40 DDAB Cc1nc(OCC(=O)NCc2cccnc2)cc(-n2cccn2)n1 85471926 MQKZWSFXCJRILF-UHFFFAOYSA-N 324.344 1.061 0 40 DDAB Nc1cnc(C[C@@H]2CCCN(C(=O)c3ccncn3)CC2)cn1 257203545 AQNULIDFTUSZNE-GFCCVEGCSA-N 312.377 1.334 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257292300 QKWIYDMEOBXHTJ-RDJZCZTQSA-N 300.358 1.924 0 40 DDAB Cc1cc([C@H]2CN(C(=O)C3CCOCC3)CCO2)nc(C)n1 257317806 VLGDIWMTUWJZFQ-OAHLLOKOSA-N 305.378 1.420 0 40 DDAB Cc1cccc(CCNC(=O)N2CCN(C(=O)N(C)C)CC2)c1 69489030 ISCWPZCKVAFCHV-UHFFFAOYSA-N 318.421 1.546 0 40 DDAB CCN1CCN(c2nn(-c3cccc(C)c3)nc2C(=O)O)CC1 256049048 XWQBEHKYYOYCBY-UHFFFAOYSA-N 315.377 1.416 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccc(C)nc2)c1 257235472 GXZSIPIYHSTXJM-SFHVURJKSA-N 324.428 1.896 0 40 DDAB CNc1cc(C)nc([C@H]2CN(C(=O)CCC(=O)O)CCO2)c1 257231703 GHWXSESCGKGRPE-CYBMUJFWSA-N 307.350 1.196 0 40 DDAB CO[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 69463031 XRYKCURKLXDDKA-JOYOIKCWSA-N 312.366 1.701 0 40 DDAB Cc1noc(CCNc2cc(N3CCSCC3)ncn2)n1 277650427 YILCCEYRJJVOBT-UHFFFAOYSA-N 306.395 1.376 0 40 DDAB CCc1ccc(-c2cc(C(=O)NC/C=C/C(=O)NC)n[nH]2)cc1 575617935 YOEVXUKKRWVNCW-SNAWJCMRSA-N 312.373 1.671 0 40 DDAB Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccco1 575606561 MNYAPLFTPHYSSJ-UHFFFAOYSA-N 314.349 1.318 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1c(F)cccc1F 585278070 LMLMJPSSEJHTQN-HNNXBMFYSA-N 312.316 1.461 0 40 DDAB O=C(CN1CC[C@](O)(COc2ccc(F)cc2)C1)N1CCCC1 585269586 ZZHVFWKHMYMXJW-QGZVFWFLSA-N 322.380 1.264 0 40 DDAB Cc1cnc(OC[C@H]2Cc3c(ncn3C)CN2C2CCC2)nc1 585094934 VGEYORZLXJDOPG-CQSZACIVSA-N 313.405 1.877 0 40 DDAB CCN(CC(=O)N(C)C)Cc1ccn(-c2cccc(F)c2)n1 69388083 WYRUCNDISCSWBJ-UHFFFAOYSA-N 304.369 1.922 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)[C@H](C)n2cncn2)c(C)nn1C 72234359 IBNVOWOXLOOLAW-RYUDHWBXSA-N 318.381 1.253 0 40 DDAB CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 17129072 RSZOLPFSICJWSR-JTQLQIEISA-N 302.371 1.265 0 40 DDAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccon1 84528882 MHSWYXMBBMJWBW-CQSZACIVSA-N 313.357 1.496 0 40 DDAB C[C@@H](C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1)n1cncn1 106574667 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O=C(O[C@@H]1CCOC1=O)c1ccccc1S[C@H]1CCOC1=O 6424210 IQBPXCQXTKECQV-PWSUYJOCSA-N 322.338 1.567 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 16117506 ZMFOIWWZMFZPQJ-UHFFFAOYSA-N 310.350 1.286 0 40 DDAB COc1ccc(C(=O)N2CC(Cn3cc(C)cn3)C2)cc1OC 1848649484 QEOFHJANHGWFPO-UHFFFAOYSA-N 315.373 1.981 0 40 DDAB O=C(Cn1cnnn1)Nc1ccc(Br)cc1Cl 8777888 YAMKZKQEYRJNBL-UHFFFAOYSA-N 316.546 1.728 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 40596741 HLWCYPMLQQNSNZ-SNVBAGLBSA-N 304.362 1.585 0 40 DDAB O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CNC[C@H]12 2056225738 AHZHJRADGZYJHH-XYJFISCASA-N 300.402 1.977 0 40 DDAB Cc1ccc(N2CC[C@H]3[C@H](CC(=O)NC(C)C)OC[C@H]3C2)nn1 1565551758 KGOIYSUSDFYYJH-KFWWJZLASA-N 318.421 1.541 0 40 DDAB O=C(CSc1nc(O)c2cn[nH]c2n1)Nc1ccc(F)cc1 4249593 PVZNZMRCHWXQDX-UHFFFAOYSA-N 319.321 1.928 0 40 DDAB COC(=O)C1=C(C)NC(=O)[C@@]1(Nc1ccccn1)C(F)(F)F 20528380 PRUTUKJEANDINO-GFCCVEGCSA-N 315.251 1.371 0 40 DDAB Cc1cc(N2CCN(c3ncnc4ncccc34)CC2)ncn1 2086889316 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CCC(=O)OCc1nc(CC(=O)Nc2ccccc2OC)no1 10745858 ZBALTNRPNKYKRG-UHFFFAOYSA-N 319.317 1.713 0 40 DDAB Cn1ncc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1=O 95971025 VAEKJEJPNOGREH-NOZJJQNGSA-N 315.826 1.900 0 40 DDAB CCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999067 UBMQAYYGHUGXSE-CQSZACIVSA-N 322.430 1.780 0 40 DDAB Cn1cc(CN2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cn1 107228018 ZEGHDRBDLVCDIE-IAGOWNOFSA-N 305.422 1.970 0 40 DDAB C[C@@H](NC(=O)NCc1ccc2c(c1)CCO2)c1cnn(C)c1 95962448 LMBNBDTXUYATIZ-LLVKDONJSA-N 300.362 1.915 0 40 DDAB C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 48324351 HRBXVISBVLCDRW-GWCFXTLKSA-N 314.382 1.715 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 36694979 BZHUFKVBCKUWPU-IINYFYTJSA-N 307.375 1.483 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 48386804 KDKBRVMORWMKEJ-ZIAGYGMSSA-N 306.362 1.175 0 40 DDAB COC[C@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 48324657 IYPRKEYYWKLQEP-LBPRGKRZSA-N 306.362 1.343 0 40 DDAB O=C(O)C1=C[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 100479337 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541650610 RIGAMUFJECBVIL-UHFFFAOYSA-N 310.313 1.926 0 40 DDAB O=S(=O)(NCC1(O)CCOCC1)c1ccc(F)c(Cl)c1 70638943 PSCHUDMSWCLVNE-UHFFFAOYSA-N 323.773 1.299 0 40 DDAB CN1N=C(C(=O)N2CCN(Cc3ccsc3)CC2)CCC1=O 32836971 VACRUJBZNFNKNN-UHFFFAOYSA-N 320.418 1.001 0 40 DDAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)C2CC2)CC1 491899165 UWYVYDAMOLEMMB-UHFFFAOYSA-N 304.412 1.468 0 40 DDAB CCN1CCN(c2cc3nncn3c(C)n2)C[C@H]1c1ncc[nH]1 563327594 YOSOKSMHKMWNEL-LBPRGKRZSA-N 312.381 1.039 0 40 DDAB C[C@H](c1nc(CC(=O)NC2CCCCC2)no1)n1ccnc1 78773448 TZFJUFOMROYKBM-LLVKDONJSA-N 303.366 1.867 0 40 DDAB CN(C)c1ncc2c(n1)CN(CCc1ccccc1F)C2=O 41123073 MYZJQCNEODTYLE-UHFFFAOYSA-N 300.337 1.880 0 40 DDAB c1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)nc1 41531912 CGTNABZIDXDDGA-UHFFFAOYSA-N 320.360 1.909 0 40 DDAB CN(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)c(N)c1 42783829 XMDDPLUWTAAWEY-UHFFFAOYSA-N 318.826 1.969 0 40 DDAB Cn1cc(CNCC2(CN3CCOCC3)CCCCC2)cn1 83476655 RSDWFGPUSVEFIZ-UHFFFAOYSA-N 306.454 1.792 0 40 DDAB Cn1ccnc1C(=O)NCC1(CN2CCOCC2)CCCCC1 81522253 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O=C(Cn1cnnn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 96407421 CJALXWGIWKJPPV-GFCCVEGCSA-N 323.809 1.643 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)CCc1ccccc1 97375771 GACLDYAMRBHNQM-HUUCEWRRSA-N 302.374 1.797 0 40 DDAB COc1ccc(C)cc1NC(=O)CN1[C@H]2CC[C@H]1CC(=O)NC2 245227681 SYCBNCPMAYNMHT-STQMWFEESA-N 317.389 1.295 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2nc(C)cc2C)n1 257201534 AHZSAHGQCPQCNK-CYBMUJFWSA-N 303.366 1.132 0 40 DDAB OCCOc1cccc(CN2CCO[C@H](c3cnccn3)C2)c1 257240570 HUDNMLKXYGEIQI-KRWDZBQOSA-N 315.373 1.421 0 40 DDAB CN1CCCC[C@@H]2N(C(=O)Cn3cccnc3=O)CCC[C@@]21C 257312565 UONVZYYUNURDFL-YOEHRIQHSA-N 318.421 1.109 0 40 DDAB Cc1c(F)cccc1NC(=O)CN1CC[C@H](O)[C@]2(CCCO2)C1 257293018 QNUYIQUXBXERME-RDJZCZTQSA-N 322.380 1.688 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc(Cl)c1 69416031 FIISJEGLUMOVPM-GHMZBOCLSA-N 309.797 1.864 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccnn2C(C)C)n1 257251361 JQKXYNDLODNFDW-CYBMUJFWSA-N 303.366 1.709 0 40 DDAB Cc1cccc(NC(=O)CN(C)Cc2ccc(C(N)=O)cc2)n1 69441174 JIRCZIRUQACVIU-UHFFFAOYSA-N 312.373 1.559 0 40 DDAB O=C(c1cccnn1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257299293 RPLMZSKFBQTZOH-FRRDWIJNSA-N 310.361 1.229 0 40 DDAB Cc1cc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)on1 257236363 HBUQABDOCIPCCH-LLVKDONJSA-N 302.334 1.597 0 40 DDAB CN1CCN2[C@@H](C1)CN(C(=O)c1ccccc1F)CC2(C)C 253401217 MPZJFPBONPHAMO-ZDUSSCGKSA-N 305.397 1.676 0 40 DDAB biogenic,in-vitro CC(C)c1noc(CCC(=O)N2CC[C@@H](c3ccn[nH]3)C2)n1 257252454 JUVCCOWWHRAMIF-LLVKDONJSA-N 303.366 1.865 0 40 DDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccc(C)cn2)C1 585279436 ZFLFBZNVQJSFOQ-MRXNPFEDSA-N 305.378 1.277 0 40 DDAB O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)C1CC1 585111965 FZYJPSCJHSARQC-CQSZACIVSA-N 314.389 1.949 0 40 DDAB O=C(C1CC(O)C1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 585099993 HLCWKNXFBFUCTD-SHARSMKWSA-N 308.422 1.003 0 40 DDAB CCOc1ccc(-c2noc(CN(C)CC(=O)N(C)C)n2)cc1 36393876 HCHOUOZQDYDPKK-UHFFFAOYSA-N 318.377 1.655 0 40 DDAB O=C(COc1ccccc1Cl)NC[C@H]1CCS(=O)(=O)C1 44717961 RUOMZMSTJZKKPU-SNVBAGLBSA-N 317.794 1.270 0 40 DDAB CNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C)c1 55782903 HQNPUXYEWHGIOO-UHFFFAOYSA-N 317.345 1.346 0 40 DDAB CCn1cc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cn1 74691697 YHPUWXOLBWBBNT-UHFFFAOYSA-N 319.434 1.626 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)c(=O)[nH]1 75123882 SCEOOVWUZBWKSL-ZDUSSCGKSA-N 308.284 1.425 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ncoc3C(C)C)CCO2)n1 76044834 GCMVZFRTLOFLAW-JTQLQIEISA-N 305.338 1.438 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@H](c2cnn(C)c2)C1 681292245 XCURLNFPRPQFHL-LBPRGKRZSA-N 300.362 1.844 0 40 DDAB COc1cccc(NC(=O)N2CCC3(CC2)CC(=O)N(C)O3)c1 1549166801 ITTZRKJEECWQIZ-UHFFFAOYSA-N 319.361 1.855 0 40 DDAB Cc1cc2n(n1)C1(CCN(C(=O)C3CCC3)CC1)CC(=O)N2C 1772596219 XIQCKMGLIWCFFG-UHFFFAOYSA-N 316.405 1.676 0 40 DDAB COc1cccc(C(=O)NCc2nc(-c3cccnc3)n[nH]2)c1 12144608 SIADZJLAYUUIGN-UHFFFAOYSA-N 309.329 1.805 0 40 DDAB COCCC(=O)N(C)Cc1nc(C)ncc1-c1ccncc1 12337680 MXMBNOYTMHZREN-UHFFFAOYSA-N 300.362 1.842 0 40 DDAB O=C(NCCN1CCCCC1)c1nc(-c2ccccn2)no1 12407894 XXJLXCVWEHXLQN-UHFFFAOYSA-N 301.350 1.347 0 40 DDAB O=CN1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 14396597 DYRATJDBZBALLD-UHFFFAOYSA-N 310.781 1.800 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 15330617 OQGYCRIOVZMGGI-UWVGGRQHSA-N 317.794 1.411 0 40 DDAB O=C(C1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19292335 CLSLENGTXPVPIX-HNNXBMFYSA-N 300.406 1.976 0 40 DDAB Cc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)ncc1C(N)=O 19753834 KLLGLNXVOKTKQX-CYBMUJFWSA-N 316.405 1.780 0 40 DDAB Cc1ccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)cc1 3191479 SPPJZIZVAMLFLG-UHFFFAOYSA-N 313.379 1.907 0 40 DDAB O=C1C[C@H]2CCC[C@@H](CN1)N2CC(=O)NCc1ccccc1 13563501 YCNGFDAIUMNDNI-CABCVRRESA-N 301.390 1.046 0 40 DDAB Cc1cncc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)c1 2037985021 VFLLNJBJULEMLN-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB CC1CC(C(=O)N2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)C1 1565545311 CWPLZOARVZPQQH-FVKWTLKZSA-N 314.389 1.478 0 40 DDAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)C(C)C)cnc32)cc1 10251368 GEXPKQKWHCKDJI-UHFFFAOYSA-N 311.345 1.617 0 40 DDAB CCC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)nn1 11739019 BFXXTTNGQLOQHQ-UHFFFAOYSA-N 321.362 1.852 0 40 DDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055715726 FACXSPUIRMHYSE-QWHCGFSZSA-N 320.437 1.746 0 40 DDAB c1ccc(CN2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)cc1 1775974838 SNEBCRJWHMBQOU-HUUCEWRRSA-N 320.400 1.921 0 40 DDAB CC(=O)OC(C)(C)C(=O)NC[C@@H](c1ccco1)n1cccn1 575614195 PEACLPGUDKMQAN-LBPRGKRZSA-N 305.334 1.523 0 40 DDAB COCCNC(=O)Cn1c([C@@H]2CCCNC2)cc2cccnc21 19593491 UTXBXRTXBQFWQP-CQSZACIVSA-N 316.405 1.266 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1cn2ccccc2n1 40093859 FIDSYGXMRSRKOH-SECBINFHSA-N 301.268 1.918 0 40 DDAB CC1=C[C@@H](c2ccccc2)n2nc(N3C(=O)CCC3=O)nc2N1 100820934 UVLXJDVLHQQXIZ-LBPRGKRZSA-N 309.329 1.850 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cccc(F)c2)no1 40513032 MFHAWPOBDPPYRL-LLVKDONJSA-N 324.333 1.398 0 40 DDAB Cc1occc1C(=O)NCCCN(C(C)C)S(C)(=O)=O 40535315 FNBINLSZOHSOAF-UHFFFAOYSA-N 302.396 1.378 0 40 DDAB COc1ccc([C@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)cc1 32301513 MBRHZZMSNMTIMF-GJZGRUSLSA-N 315.373 1.813 0 40 DDAB CCn1c(S)nc2cc(C(=O)NCCCOC)ccc2c1=O 102175054 KYWAIOKILPEYHC-UHFFFAOYSA-N 321.402 1.471 0 40 DDAB O=C1c2ccccc2CN1CN1CCN(c2ncccn2)CC1 32815016 WGXLPXDZCIWCIK-UHFFFAOYSA-N 309.373 1.212 0 40 DDAB COc1ccc(Nc2nc(NCCO)nc3c2cnn3C)cc1 21873702 LQZNNNVMNYTPOM-UHFFFAOYSA-N 314.349 1.520 0 40 DDAB Cc1nc(COc2ccc(C(=O)NC[C@H]3CCOC3)cc2)no1 41370438 IESWWNNALPWZPT-GFCCVEGCSA-N 317.345 1.723 0 40 DDAB Cn1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21 387254 ZEIQQJDXXAGGSM-UHFFFAOYSA-N 322.324 1.709 0 40 DDAB O=C(NCc1ccoc1)N[C@@H]1CCCN(c2ncccn2)C1 47088652 FQAUCLFNYGAYIR-CYBMUJFWSA-N 301.350 1.538 0 40 DDAB O=C(NCCc1cccs1)c1cccnc1N1CCOCC1 22837187 WEEFVBYNZAKGCB-UHFFFAOYSA-N 317.414 1.952 0 40 DDAB O=C(CCN1CCCCO1)N1CCc2[nH]nc(C3CCC3)c2C1 23146026 HXHFNJFQRYVMLH-UHFFFAOYSA-N 318.421 1.979 0 40 DDAB CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1ccc(O)c(OCC)c1 6595541 GIYYHPUUTKEPQF-CQSZACIVSA-N 319.361 1.797 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101450311 JBDRXPMABAOOHB-XUXIUFHCSA-N 305.330 1.902 0 40 DDAB Cc1noc(NC(=O)CSc2nnc(C(F)(F)F)n2C)n1 54659939 OPJXANQTSOFKJO-UHFFFAOYSA-N 322.272 1.256 0 40 DDAB CC(=O)Nc1ccc(CC(=O)N(C)Cc2cnn(C)c2)cc1 24475342 ACZKNSRLUGATGB-UHFFFAOYSA-N 300.362 1.580 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(CC(N)=O)cs1 24687938 MUZFGGJXOCIEEO-MRVPVSSYSA-N 323.349 1.716 0 40 DDAB COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)C[C@H]2O 1394841 JISVZQDTSKRCPM-RKDXNWHRSA-N 305.252 1.861 0 40 DDAB CN(C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)no1 107318316 UEKKKGFOTFBWGZ-SDDRHHMPSA-N 306.410 1.919 0 40 DDAB CC[C@H]1CCCN(C(=O)CN(C)c2ncnc3[nH]cnc23)C1 57035460 VMCXCOJAFTUEMP-NSHDSACASA-N 302.382 1.438 0 40 DDAB CC[C@@H](NC(=O)N1CCNC(=O)C1)c1ccc2c(c1)OCCO2 57230527 JWSDDGWASDQAIS-GFCCVEGCSA-N 319.361 1.050 0 40 DDAB CC(C)NC(=O)[C@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1 107198088 XMTYKQGLCDXTKN-YESZJQIVSA-N 302.418 1.986 0 40 DDAB O=C(NCCN1CCCC1)NCc1ccc2c(c1)OCCO2 48253467 PZYAYPOYDZJGSZ-UHFFFAOYSA-N 305.378 1.353 0 40 DDAB Cc1cc(OCn2ccc(C(=O)NCCO)n2)ccc1Cl 28231198 ZCOKAKRBQXHJAY-UHFFFAOYSA-N 309.753 1.604 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1cnc2c(cnn2C(C)C)c1 27022766 FRFPKAXTFGUKNM-GFCCVEGCSA-N 318.381 1.644 0 40 DDAB NC(=O)c1cccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1 58209910 BAMKJPDUVIQABE-MRXNPFEDSA-N 315.417 1.762 0 40 DDAB COc1ccc(C)cc1NC(=O)CN1[C@@H]2CC[C@@H]1CC(=O)NC2 100463551 SYCBNCPMAYNMHT-CHWSQXEVSA-N 317.389 1.295 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3ccnn3C)CC2)on1 58296303 PJKWXSZUSCYNAU-LBPRGKRZSA-N 317.393 1.923 0 40 DDAB COCC(=O)N1[C@H]2CC[C@H]1[C@]1(CC(=O)c3ccccc3O1)C2 100209287 PCJFIKYIBTUGTN-XNJJOIOASA-N 301.342 1.800 0 40 DDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cnc2ccccn2c1=O 58341878 CSWDGTKAKLVBIM-ZIAGYGMSSA-N 312.373 1.051 0 40 DDAB CCn1ncc2c1CCC[C@@H]2N[C@H](C)C(=O)NCCCOC 72299768 CPGCEYKPSVQOPU-OCCSQVGLSA-N 308.426 1.411 0 40 DDAB C[C@H](OC(=O)c1cnn(C)c1)C(=O)N1c2ccccc2C[C@H]1C 12850673 SCWLNQLJIJRMGB-NEPJUHHUSA-N 313.357 1.943 0 40 DDAB CC(C)c1nc([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cs1 72284893 XBAWVNRXIHKCAG-UWVGGRQHSA-N 316.448 1.878 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(C3CC3)s1)CS2 12885818 OPDMNOHYSSDYAH-SDBXPKJASA-N 324.431 1.808 0 40 DDAB C[C@@H](CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 29189674 IRRUTIZEBDMSJQ-ZFWWWQNUSA-N 324.446 1.720 0 40 DDAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(O)nn1 29837584 UBHQCFKMAZXGKL-UHFFFAOYSA-N 312.373 1.360 0 40 DDAB CS(=O)(=O)CCC(=O)Nc1cc(CCc2ccccc2)n[nH]1 72294093 NKQMKRXEPQPUHL-UHFFFAOYSA-N 321.402 1.568 0 40 DDAB O=C(/C=C/c1ccnc2ccccc12)NCC(=O)Nc1cn[nH]c1 72287449 MQSXIVSOVJVALM-AATRIKPKSA-N 321.340 1.726 0 40 DDAB O=C(CS(=O)(=O)c1nccs1)N1CCc2ccccc2C1 63871260 SHXMJSDDNABSOB-UHFFFAOYSA-N 322.411 1.502 0 40 DDAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)O)n2C 4000277 BWAUQNDPUJQORX-QMMMGPOBSA-N 306.318 1.398 0 40 DDAB biogenic Cc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1 4248141 MEVDEPAFQPCUAZ-UHFFFAOYSA-N 300.387 1.983 0 40 DDAB COCCNC(=O)CSc1nnnn1-c1c(C)cccc1C 5168537 BFGDUBIDYMHCDR-UHFFFAOYSA-N 321.406 1.134 0 40 DDAB N[C@@H](CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)O 39957146 DREJVQVAEDFVEY-AWEZNQCLSA-N 306.362 1.837 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccc(F)c(F)c1 65449774 NNSRSTCJNBZARE-IINYFYTJSA-N 324.331 1.583 0 40 DDAB O=C1C(Cl)=C(NC[C@@H]2CCCO2)C(=O)N1c1ccccc1 4482653 MTFSFJBVNNSFCP-NSHDSACASA-N 306.749 1.779 0 40 DDAB Cc1n[nH]cc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C 96009599 RYFKXWWVRVGUSH-UHFFFAOYSA-N 311.411 1.988 0 40 DDAB Cc1nc2ccccc2n1CC(=O)N[C@H]1CCc2nccn2C1 97197849 LJVDCALHXBSXTO-ZDUSSCGKSA-N 309.373 1.672 0 40 DDAB COc1ccc(NC(=O)Cn2cc(CCO)cn2)cc1Cl 97115083 XESMKTYZUXCJIV-UHFFFAOYSA-N 309.753 1.719 0 40 DDAB Cn1c(-n2ncc(NCCO)c(Cl)c2=O)nc2ccccc21 5452444 HEEQBMBMJIZERB-UHFFFAOYSA-N 319.752 1.177 0 40 DDAB CCOCCCNC(=O)COC(=O)c1ccc2ncsc2c1 6579683 JBOGKTDYCDKDDY-UHFFFAOYSA-N 322.386 1.996 0 40 DDAB CCCC(=O)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12 9329775 LGFDVVYTYVWCKO-UHFFFAOYSA-N 311.345 1.747 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 6889062 WAYCZUVSWDQFGH-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB O=C(NCCNC(=O)c1cnccn1)c1cccc(Cl)c1 4985281 MXCBBEWGZWNNFR-UHFFFAOYSA-N 304.737 1.290 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)no1 15399957 FDAPVBHDLBYCLN-JTQLQIEISA-N 314.305 1.365 0 40 DDAB CC(=O)N1CCN(C(=O)[C@H](C)n2cnc3ccccc32)CC1 71794626 OMQARUHBLWKYOD-LBPRGKRZSA-N 300.362 1.288 0 40 DDAB CONC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 68063850 QWOSFGBXDNAEJU-JTQLQIEISA-N 314.288 1.570 0 40 DDAB C[C@H](NC(=O)c1cnn(C)c1)c1ccc(S(C)(=O)=O)cc1 16109570 VCXVWMIEEUJGPB-JTQLQIEISA-N 307.375 1.315 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)c2c(C)oc(C)c2C)CC1 71882005 NCJBFKBXLWSVAM-OAHLLOKOSA-N 324.421 1.360 0 40 DDAB O=C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCN1 71839580 ZETVJBJMRHMPMW-UHFFFAOYSA-N 300.280 1.596 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)on1 71872782 AXKDHBUVDKDRFE-GFCCVEGCSA-N 303.318 1.497 0 40 DDAB O=C(NCCS(=O)(=O)N1CCSCC1)C1CCCCC1 71884377 OCKJFYOZFNPPKR-UHFFFAOYSA-N 320.480 1.062 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)n(C)n1 71875576 SSQQSQMRNIWBHT-CYBMUJFWSA-N 302.382 1.028 0 40 DDAB COc1ccc(CCCC(=O)N2CCN(C[C@H](C)O)CC2)cc1 70037321 PCQUJHZFORUMOR-HNNXBMFYSA-N 320.433 1.543 0 40 DDAB CCCCc1nc(CN2CCO[C@@H](Cn3cccn3)C2)no1 69392340 PNYSLKJCZJROKF-CYBMUJFWSA-N 305.382 1.510 0 40 DDAB C[C@H](NCc1cnc(N2CCOCC2)nc1)[C@H](C)n1cccn1 69372569 SHVAQJFCUQBIEB-KBPBESRZSA-N 316.409 1.249 0 40 DDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](n2cccn2)C1 69348391 CPLABQJUOCJDEV-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB O=S1(=O)CCCN1CCOc1ccc(-n2cccn2)cc1 91597803 PBFGHESXOJJSKY-UHFFFAOYSA-N 307.375 1.287 0 40 DDAB C[C@@]12CC(=O)[C@H]3C[C@]1(O)O[C@@H](O2)[C@H]3COC(=O)c1ccccc1 82123162 BANPEMKDTXIFRE-IXDLUCPKSA-N 318.325 1.273 0 40 DDAB biogenic CCN(CCNC(=O)[C@H](C)NC(=O)c1cccs1)C1CC1 69537592 NFPCFYSHHRNYHE-NSHDSACASA-N 309.435 1.467 0 40 DDAB CC[C@@](C)(O)CNC(=O)CCCNC(=O)c1ccc(F)cc1 72304461 JMSMMDWKMJQFAL-MRXNPFEDSA-N 310.369 1.613 0 40 DDAB NC(=O)NCCC(=O)OCc1csc(-c2ccccc2)n1 17745835 ZDCAXRXINYHTRQ-UHFFFAOYSA-N 305.359 1.912 0 40 DDAB COC(=O)[C@@](C)(NC(=O)[C@H]1CCOC1)c1cc(F)ccc1F 69702517 CZCGDLDEOGBOLI-VFZGTOFNSA-N 313.300 1.506 0 40 DDAB O=S(=O)(c1ccc(CC2CCNCC2)cc1)N1CCOCC1 20190645 FWFFNWLMHLNFBT-UHFFFAOYSA-N 324.446 1.250 0 40 DDAB COC(=O)c1ccn2c(I)cnc2c1 72190675 HSKJTLBZTWHLIR-UHFFFAOYSA-N 302.071 1.726 0 40 DDAB in-vitro C[C@H](OCc1ccccc1)C(=O)N1CCN(CC(C)(C)O)CC1 69809902 TVYWMAQUAKKPRY-HNNXBMFYSA-N 320.433 1.507 0 40 DDAB CCN(CC)CC(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 69817210 JKZMPCHBXSNMCH-UHFFFAOYSA-N 315.377 1.252 0 40 DDAB CC(C)NC(=O)CCNC(=O)NCCc1ccc(F)cc1F 69927245 HRTDQMGQRHDIOE-UHFFFAOYSA-N 313.348 1.721 0 40 DDAB Cn1cc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)cn1 84318536 UVTZBXCPFFNVFJ-ZDUSSCGKSA-N 306.316 1.593 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3nnn[nH]3)C2)c(F)c1 95976998 JJVRRPQXMRSAPZ-JTQLQIEISA-N 318.356 1.425 0 40 DDAB COC(=O)c1cncc(C(=O)Nc2ccn(CC(F)F)n2)c1 89404378 FCXFWWDUMJCATG-UHFFFAOYSA-N 310.260 1.582 0 40 DDAB COC(=O)c1ccc2nc(NC(=S)NCCO)sc2c1 409189339 JNDBRNXWNGFAOW-UHFFFAOYSA-N 311.388 1.362 0 40 DDAB Cn1cc([C@]2(C)NC(=O)N(C/C=C/c3ccccc3)C2=O)cn1 89914286 NHFFBJUTJSJEII-NADMHLTPSA-N 310.357 1.901 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CCc2cccnc2)C1 76019335 OIIYQIGXWZUFAS-KGLIPLIRSA-N 310.419 1.486 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2cccc(F)c2F)n1 76018363 FHXFRZRPNXDVTC-UHFFFAOYSA-N 324.287 1.344 0 40 DDAB CCc1cc(C(=O)N2CCN(CC)CC2)c2c(C)noc2n1 36621698 KUEZBHCRTWSRNY-UHFFFAOYSA-N 302.378 1.871 0 40 DDAB COCCCNC(=O)c1nc([C@H]2CCCN2C)n2ccccc12 306144799 ZOUIMIRWWPFWFN-CQSZACIVSA-N 316.405 1.867 0 40 DDAB O=C(CCCn1c(O)nc2ccccc2c1=O)Nc1ncc[nH]1 524732556 PCCORHCBIKTPBM-UHFFFAOYSA-N 313.317 1.244 0 40 DDAB CC[C@@](C)(c1nnnn1-c1ccc(C)cc1)N1CCOCC1 35622107 PRIDJKUIKKRBTG-INIZCTEOSA-N 301.394 1.928 0 40 DDAB COc1ccc(NC(=O)Cc2ncc(C(=O)O)c(C)n2)cc1 217354679 YMPGESZKQBSARH-UHFFFAOYSA-N 301.302 1.673 0 40 DDAB COC(=O)NCCc1nc(CC(=O)Nc2ccccc2)no1 78774425 LKZUROASMDAWOD-UHFFFAOYSA-N 304.306 1.149 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n([C@H]2CCC(C)(C)C2=O)c1 562715127 KFLYIDBBFXWSNS-NSHDSACASA-N 312.391 1.029 0 40 DDAB CNC(=O)c1cn[nH]c1[C@H]1CCCN1c1nc(C)cc(C)n1 72366154 RAPIOWBUSBANPU-GFCCVEGCSA-N 300.366 1.518 0 40 DDAB Cc1cc(NCc2nccn2C)nc([C@@H]2CCCN(C)C2)n1 72365428 AOUSLIUBRULLEP-CYBMUJFWSA-N 300.410 1.940 0 40 DDAB COCCN(CCOC)C(=O)Nc1ccc2[nH]c(=O)ccc2c1 78402860 HPWHOGAECYVEKN-UHFFFAOYSA-N 319.361 1.655 0 40 DDAB CCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 40162417 VMHVYTFOMGNZHK-ZDUSSCGKSA-N 310.375 1.493 0 40 DDAB CCN1C[C@@H](COC(=O)c2n[nH]c3c2CCCCC3)CC1=O 195579029 MHXUVQDDRSMNNH-NSHDSACASA-N 305.378 1.704 0 40 DDAB O=C(c1ccccc1O)N1CCN(CCc2ccncc2)CC1 80930024 RTYNHPKIZNCGDW-UHFFFAOYSA-N 311.385 1.788 0 40 DDAB COc1ccccc1CCNC(=O)C(=O)Nc1cccc(O)c1 40268394 UIBBMMQORWUPJX-UHFFFAOYSA-N 314.341 1.698 0 40 DDAB CCO[C@H](C)C(=O)NS(=O)(=O)c1ccc(OC)cc1C 225471578 BQATYUDTVJOFAU-SNVBAGLBSA-N 301.364 1.234 0 40 DDAB CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccn(C(C)C)n2)C1 571784916 FINWTIAWWSEARJ-GJZGRUSLSA-N 320.437 1.789 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cn3cccc3)C2)n1 225404135 MQCJABDPFXOCKO-ZDUSSCGKSA-N 315.377 1.024 0 40 DDAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nnn1C 574049723 HYJMJZDASCXNFN-JTQLQIEISA-N 317.324 1.254 0 40 DDAB COc1ccccc1CN1CCC(C(=O)NC(C)(C)CO)CC1 199419409 LZGKWELTGOTWGG-UHFFFAOYSA-N 320.433 1.794 0 40 DDAB CC(C)(C)CNC(=O)CN(Cc1ccccc1)S(C)(=O)=O 226079929 LNRIODDRAJPFFV-UHFFFAOYSA-N 312.435 1.611 0 40 DDAB COc1ccc(CCCC(=O)N[C@@H]2CCN(C)C2=O)cc1F 84549895 LPJLHTQPJKGUFX-CYBMUJFWSA-N 308.353 1.504 0 40 DDAB Cc1cccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c1 224189470 NBOTXPDLMWJAIN-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(Cc3ccccc3F)C[C@H]1O2 96253041 RNBOWUGAVZWIKU-HLLBOEOZSA-N 318.392 1.941 0 40 DDAB c1ccc(CO[C@@H]2CN(Cc3ccccn3)[C@@H]3COC[C@H]23)nc1 96055896 BQQVFSBDXLTJDD-RCCFBDPRSA-N 311.385 1.893 0 40 DDAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cn[nH]n2)cc1 96431928 BDXKJYIYNRKMDS-HNNXBMFYSA-N 314.389 1.977 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N=c1nc[nH]n1C(C)(C)C 332140607 JFFWRWQQUKPYAU-GWCFXTLKSA-N 316.361 1.622 0 40 DDAB O=C(c1ccc[nH]1)N1CCc2ncc(Cn3cccn3)n2CC1 96196957 MUAKMBKWIYRNTG-UHFFFAOYSA-N 310.361 1.155 0 40 DDAB CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(OC)cc1 96186203 XRPHWXBIZOPJRF-HZPDHXFCSA-N 316.401 1.850 0 40 DDAB CCS(=O)(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 96421260 SLEOQJJYJMQUJK-ZFWWWQNUSA-N 312.435 1.215 0 40 DDAB COCCC(=O)N1CCc2ncc(CN3CCCCC3)n2CC1 96196897 VWZNRMMKCHTGGE-UHFFFAOYSA-N 320.437 1.290 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccncc1 96062102 ANLLROVNCJFZHZ-GFCCVEGCSA-N 323.360 1.135 0 40 DDAB CCO[C@H](C)c1noc(CN2CCN(Cc3ccno3)CC2)n1 96443513 LILWJPAJUFAVHS-GFCCVEGCSA-N 321.381 1.473 0 40 DDAB CN1CC[C@H](COCC2CC2)CC12CN(c1ncc(F)cn1)C2 248143365 QZZGLYSFGLRPAE-AWEZNQCLSA-N 320.412 1.943 0 40 DDAB CC(C)CN1CCO[C@@H]2CCN(C(=O)c3csnn3)CC[C@H]21 248272014 ZVPMVFAQJZGERK-ZIAGYGMSSA-N 324.450 1.500 0 40 DDAB Cc1nc(N[C@H](C)C(=O)N2CCCC[C@@H]2C)c2cnn(C)c2n1 69453846 QBSPHEIZGOHXOG-WDEREUQCSA-N 316.409 1.873 0 40 DDAB O=C(CCCn1ccnc1)N1CCO[C@@H](c2cnccn2)C1 257208721 BNJNBOCGZKTQQK-CQSZACIVSA-N 301.350 1.053 0 40 DDAB Cc1ncc(CNC(=O)Cn2cccn2)c([C@@H]2CCCN2C)n1 257310825 UGUHKJZPXOVDDF-AWEZNQCLSA-N 314.393 1.065 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ncccn3)CCO2)n1 257243497 IHGVMBSKDGYMJM-ZDUSSCGKSA-N 313.361 1.151 0 40 DDAB O=C(CC1CCCC1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257292937 QNNLNTSOHAYTHL-HOTGVXAUSA-N 310.438 1.251 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC 252513886 AOGFQQUSRAZWPE-GUTXKFCHSA-N 311.403 1.156 0 40 DDAB CC(=O)N1CCC[C@H](c2cncc(-c3cnc4ncccn34)n2)C1 257247769 JAJUCKFZENKDCZ-ZDUSSCGKSA-N 322.372 1.912 0 40 DDAB C[C@]1(O)CN(C(=O)c2ncc[nH]2)CC[C@@H]1Oc1ccccc1 257284248 PBWGIJUGFKPMQX-BBRMVZONSA-N 301.346 1.454 0 40 DDAB O=C(N[C@@H](C(=O)O)C12CC(C(=O)O)(C1)C2)OCc1ccccc1 253179000 AHCADYJAFVUWPX-SOISORPOSA-N 319.313 1.621 0 40 DDAB O=C(Nc1cnns1)N[C@H]1CCCO[C@@H]1c1ccncc1 277102976 PGOWHADUQOXNQS-CMPLNLGQSA-N 305.363 1.975 0 40 DDAB COCCOc1ccc(CNc2cn[nH]c(=O)c2Cl)cn1 52315428 ONEFRAHKNNPOPK-UHFFFAOYSA-N 310.741 1.456 0 40 DDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc2ccccc12 585295178 OMIXAURHEUBFRM-HCXYKTFWSA-N 315.413 1.763 0 40 DDAB O=C(c1ccnnc1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099098 LYYVAAVSIZZUHX-OAHLLOKOSA-N 313.361 1.124 0 40 DDAB Cc1c(C)n(C)c2ccc(NC(=O)[C@H]3CNCCN3C)cc12 585177439 ZBMYNTVEUYGPCE-MRXNPFEDSA-N 300.406 1.637 0 40 DDAB OC[C@]1(Cc2cccc(F)c2)CN(Cc2cnccn2)CCO1 585275235 AWCFPUMVXLOWJO-KRWDZBQOSA-N 317.364 1.422 0 40 DDAB COc1ccccc1N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100018528 ROLKPLJIYRQHNY-IATRGZMQSA-N 301.298 1.066 0 40 DDAB O=S(=O)(NC(=S)N1CCCC1)c1ccc(Cl)cc1 5375768 FNVVXYSUDGXWHP-UHFFFAOYSA-N 304.824 1.999 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 12791489 MCHINBSAZPVGNH-IINYFYTJSA-N 304.346 1.074 0 40 DDAB CC[C@@H](C(=O)NC(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715068 SFXJFXWZJJIOEL-ZDUSSCGKSA-N 316.398 1.895 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 14235741 CXTQURHEUBLXON-SNVBAGLBSA-N 307.293 1.622 0 40 DDAB O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)NCCc1ccccc1 14607356 MQKUHIPEHCLZFL-PMPSAXMXSA-N 315.417 1.135 0 40 DDAB Cc1c(C(=O)N2CCOCC2)nnc2c(-c3ccccc3)cnn12 19817072 GSXUIQTWXKIIAL-UHFFFAOYSA-N 323.356 1.572 0 40 DDAB CC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 19946644 ICZRZYOUOAUIJE-ZDUSSCGKSA-N 312.435 1.984 0 40 DDAB C[C@H](O)CN(C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21)[C@H](C)CO 249068114 JCZYWUYVVWDWRV-FXSNYSBCSA-N 318.417 1.346 0 40 DDAB CCc1cc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)ncn1 1888888362 CFAJCNQHWHJNAM-ZDUSSCGKSA-N 305.426 1.074 0 40 DDAB c1cc(N2CCCC2)nc(N2CCN(c3nccs3)CC2)n1 1889077236 QTGLUOWBABAUFT-UHFFFAOYSA-N 316.434 1.860 0 40 DDAB CN1CC[C@]2(O)Oc3ccc(Br)cc3[C@@H](O)[C@H]2C1 1889077985 YLHNNNJDAYNMMN-RTXFEEFZSA-N 314.179 1.515 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@]12CCN(C(=O)CC1(O)CCC1)C2 1565550075 ONRWFABEEIOIJM-CZUORRHYSA-N 306.406 1.199 0 40 DDAB Cc1nnsc1C(=O)NCCn1cc(-c2ccco2)cn1 575614696 BKNSQPWQUDRHAL-UHFFFAOYSA-N 303.347 1.733 0 40 DDAB O=C(c1cc(O)ncn1)N1CCN(c2ccccc2F)CC1 225522881 AFJTYCKZBLTSLC-UHFFFAOYSA-N 302.309 1.284 0 40 DDAB O=S(=O)(Cc1ccccc1F)N1CCC(n2ccnn2)CC1 374258106 IRWCTTBRRPKVDR-UHFFFAOYSA-N 324.381 1.584 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)c1cccn1C 75155108 KMOFJRNVPPBXEN-ZDUSSCGKSA-N 312.366 1.485 0 40 DDAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)N1CCS(=O)(=O)CC1 100831147 OEYVENDFVNZIQF-AVGNSLFASA-N 300.424 1.253 0 40 DDAB CC(C)Cc1ccc([C@H](O)CN2CCN(CCO)CC2)cc1 51091352 XYXUMBQWJWPNHT-GOSISDBHSA-N 306.450 1.528 0 40 DDAB CCOc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1Cl 101675390 ZNVDXARTZRKKEP-JTQLQIEISA-N 321.724 1.709 0 40 DDAB Cc1ccccc1[C@@H](CC(=O)/N=c1\sccn1C)NC(N)=O 102396949 XNYPYOOSYKNYEQ-LOPKLFAVSA-N 318.402 1.622 0 40 DDAB COCCCNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12321951 MWPIMPQFKNQWDM-UHFFFAOYSA-N 300.318 1.984 0 40 DDAB Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)S(C)(=O)=O)CCC2 79040828 VTKBWEMLGOOYBZ-KWQFWETISA-N 316.448 1.720 0 40 DDAB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1O 6958643 ZIHGIZKVSHPFBS-GHXNOFRVSA-N 315.329 1.621 0 40 DDAB Cc1cnc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cn1 7536797 DLIDLVWDCFXKBK-UHFFFAOYSA-N 319.748 1.912 0 40 DDAB Nn1c(S)nnc1Cn1c(-c2ccccn2)nc2ccccc21 8914354 DTHMCOLUWBOXPD-UHFFFAOYSA-N 323.385 1.741 0 40 DDAB O=c1c2ccccc2cnn1C[C@@H](O)COCc1ccccc1 42755948 KPPBMCPJAXHSDF-MRXNPFEDSA-N 310.353 1.974 0 40 DDAB COC[C@@H](C)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 97046009 VBEDEXDODVZWRV-CQSZACIVSA-N 305.422 1.450 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10314309 LXFKPTVMTLEEGD-JTQLQIEISA-N 300.380 1.131 0 40 DDAB O=C(C[C@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 56964585 XXVXXKALICTTFQ-CQSZACIVSA-N 304.346 1.829 0 40 DDAB CCCCC(=O)C[C@@H](c1ccccc1)C1C(=O)NC(=O)NC1=O 105629241 JFJSLKKQWHMBTA-ZDUSSCGKSA-N 316.357 1.902 0 40 DDAB CCN1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 57000305 XYITVXIKICJPGP-INIZCTEOSA-N 304.390 1.675 0 40 DDAB CC(C)CCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 1926190 ZWZJBFRRRXICPC-UHFFFAOYSA-N 311.407 1.201 0 40 DDAB CC[C@]1(c2ccc(Cl)c(C)c2)NC(=O)N(CC(=O)O)C1=O 57842181 WCJABUOHLYNBCP-CQSZACIVSA-N 310.737 1.890 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1snnc1CC)C2 72279547 XUUCRUIXHOJBPH-UHFFFAOYSA-N 318.406 1.521 0 40 DDAB O=C(Nc1nnn[nH]1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 72294766 DNUUAIPQDGYDIM-SFYZADRCSA-N 313.239 1.841 0 40 DDAB O=C(NCCn1ccnc1)Nc1cccnc1N1CCCC1 48172234 NBQXPYYRKZHOQV-UHFFFAOYSA-N 300.366 1.700 0 40 DDAB CCOCCO[C@H](C)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 58162773 MTPOBAVJTJHSJT-GHMZBOCLSA-N 321.377 1.475 0 40 DDAB CC(=O)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 22451011 VXZFZOFWTCDDNB-QZTJIDSGSA-N 318.417 1.350 0 40 DDAB in-vitro COC(=O)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 44976292 GNJGTANJOUXHSQ-UHFFFAOYSA-N 319.390 1.484 0 40 DDAB O=C(CNC(=O)c1cccs1)OCc1nnsc1Cl 21664539 YCBBCBQWTSYUCD-UHFFFAOYSA-N 317.779 1.726 0 40 DDAB CCCCNC(=O)c1nn(-c2ccc(C)c(C)c2)nc1CO 21149112 LZMPITWPJUYRPR-UHFFFAOYSA-N 302.378 1.906 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)s1 58328810 ZPBQUHBZXZJVIN-GFCCVEGCSA-N 310.419 1.671 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCN(C)CC2)c(OC)c1OC 59904239 IGRVYMSNFNBQND-SOFGYWHQSA-N 320.389 1.500 0 40 DDAB COc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(N)=O 58439499 UUDAWKBERCCNLE-AWEZNQCLSA-N 313.357 1.913 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3ncccc3C)CC2)nn1 97376363 DJNWGVWHWQEDIV-UHFFFAOYSA-N 315.377 1.605 0 40 DDAB CN1CCN(CC(=O)NCC23CC4C[C@@H](CC[C@H](C4)C2)C3)CC1 101024372 XAHBIZKDIFOXBS-HNXFYBAISA-N 319.493 1.957 0 40 DDAB O=C1NCCCC[C@H]1Sc1nnnn1Cc1cccs1 58492673 FPRVNMMZEPMHJF-SNVBAGLBSA-N 309.420 1.544 0 40 DDAB COc1ccc([C@H](C)NC(=O)N2CC[C@@H](C(N)=O)C2)c(OC)c1 46078766 YZFKEDWTJPNPCX-WDEREUQCSA-N 321.377 1.282 0 40 DDAB CCCCc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 11905169 QVPLTGOSABYSQS-UHFFFAOYSA-N 315.373 1.908 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1 3597187 STTMTAHUIDJOSA-ZDUSSCGKSA-N 319.361 1.600 0 40 DDAB Cc1sc(NC(=O)Cn2cnnc2[S@@](C)=O)c(C)c1C 72296516 IARKXFSJDWRSAP-FQEVSTJZSA-N 312.420 1.641 0 40 DDAB COc1ccc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)cc1F 19458656 ATXZGWMIVUYHSH-SECBINFHSA-N 305.309 1.419 0 40 DDAB C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 13395061 BHBPXWVVBSVXNP-BETUJISGSA-N 311.403 1.237 0 40 DDAB CCS(=O)(=O)c1ccccc1N1CCC(NC(C)=O)CC1 64090643 GOEGDGOLIOZRNA-UHFFFAOYSA-N 310.419 1.585 0 40 DDAB COC(=O)C1(NCc2cc(=O)n3c(C)cccc3n2)CCC1 97109623 IARDJOGGKBSRKJ-UHFFFAOYSA-N 301.346 1.188 0 40 DDAB C[C@H](C(=O)N1CCCN(c2nccs2)CC1)n1ccnc1 65495117 SGJFGBYOYZIEAR-GFCCVEGCSA-N 305.407 1.640 0 40 DDAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1nccs1 14244823 VCFBGAXEFWBRGL-UHFFFAOYSA-N 322.390 1.726 0 40 DDAB COCCn1c(C)c(C)c2c(N3CCN(C)CC3)ncnc21 6759842 GRXVAYJKDFLTDG-UHFFFAOYSA-N 303.410 1.446 0 40 DDAB O=C(Nc1ncccn1)[C@@H]1CC=CC[C@H]1C(=O)Nc1ncccn1 5778613 JWINSKBVHSGJFT-VXGBXAGGSA-N 324.344 1.426 0 40 DDAB CCN(CC)C(=O)[C@@H](C)N1CCC[C@H](Cc2nccn2C)C1 90004500 KQMZNCHAORTNLK-HUUCEWRRSA-N 306.454 1.932 0 40 DDAB CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(N)=O)C1 96416951 TXFYSWCRUAYUMD-CABCVRRESA-N 304.390 1.214 0 40 DDAB CC(C)c1ccsc1C(=O)N1CCCN(CC(N)=O)CC1 71829254 INRYFEKRAJOSMX-UHFFFAOYSA-N 309.435 1.505 0 40 DDAB C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CCO1 71886857 AGJUCMKYRTZRLM-GFCCVEGCSA-N 301.346 1.417 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)n2)C1 71825564 KGTNPRVJORDAFM-AWEZNQCLSA-N 300.362 1.908 0 40 DDAB C[S@@](=O)c1nncn1CC(=O)N[C@@H](c1ccccc1)C1CC1 71899926 KLDYTLBZJOZOAI-FPTDNZKUSA-N 318.402 1.283 0 40 DDAB OC1(CNc2ccc3nnc(C(F)(F)F)n3n2)CCCC1 71821723 NPMFDLLCYMQBKV-UHFFFAOYSA-N 301.272 1.860 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H]1Cn1cccn1 71872046 FSFZBAVARDWADW-CYBMUJFWSA-N 315.402 1.826 0 40 DDAB COCCN(CCCN1C(=O)CNC1=O)Cc1cccs1 70005253 KWKDUFNHYLHRPO-UHFFFAOYSA-N 311.407 1.138 0 40 DDAB C[C@@H](Cn1cccn1)NCc1csc(-c2cnn(C)c2)n1 69374021 WJNJMKHGVXHHMC-NSHDSACASA-N 302.407 1.918 0 40 DDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 69438121 UFNSHEIQVDQAEC-LBPRGKRZSA-N 317.842 1.345 0 40 DDAB NS(=O)(=O)c1cccnc1N1CCN(c2ccccc2)CC1 69597647 CBZSJQVEZKMRPW-UHFFFAOYSA-N 318.402 1.056 0 40 DDAB Cc1cnn(C2CN([C@H](C)C(=O)Nc3ccnn3C(C)C)C2)c1 69659109 HNDOJXKXHGICLO-CYBMUJFWSA-N 316.409 1.853 0 40 DDAB CC(C)(C)c1nnc(CN2CCC[C@H](Cn3cncn3)C2)o1 69630311 OYANZTBFHHPTDX-LBPRGKRZSA-N 304.398 1.871 0 40 DDAB COc1ccc2c(c1)CCCN(CC(=O)NC[C@H]1CCCO1)C2 69617967 XLQYUYQSDCHQEA-QGZVFWFLSA-N 318.417 1.739 0 40 DDAB CCCCS(=O)(=O)NCCNC(=O)c1c(F)cccc1F 69814592 XCEZYVSTSABAKU-UHFFFAOYSA-N 320.361 1.414 0 40 DDAB Cc1ccc(NC2CCN(C(=O)C[C@H]3CCCO3)CC2)nn1 69969431 PMAYCUBWGWHUBV-CQSZACIVSA-N 304.394 1.757 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Nc2cccc(OC)c2)CC1 84733474 SLQGWIDZPUBFKO-AWEZNQCLSA-N 307.394 1.616 0 40 DDAB Nc1nc(N2CCC[C@@H](N3CCNC3=O)C2)nc2ccccc12 95449315 NOBGFLLTIJMMSC-LLVKDONJSA-N 312.377 1.206 0 40 DDAB Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)N(C)C)cc1 98014174 SIBQBWMNICKEQR-LSDHHAIUSA-N 312.435 1.859 0 40 DDAB CCOC(=O)COCCSc1ncn(-c2ccccc2)n1 88239753 QLNZOFJENWTZBT-UHFFFAOYSA-N 307.375 1.939 0 40 DDAB COc1ncccc1CNC(=O)c1nnc(-c2ccncc2)o1 95997667 GCBXVKKNKLDCCQ-UHFFFAOYSA-N 311.301 1.465 0 40 DDAB Cc1cc(C)c(C(=O)NC[C@@H](O)Cc2ccccc2)c(=O)[nH]1 89568527 DVVXGHVVHYPFER-AWEZNQCLSA-N 300.358 1.325 0 40 DDAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c(=O)[nH]1 75121788 OBHFAXKNSFNINY-HNNXBMFYSA-N 313.401 1.586 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1CCN1C(=O)CCC1=O 89949286 JPJUCNSFNZNJFY-OAHLLOKOSA-N 315.417 1.866 0 40 DDAB O=C(NCCc1nc[nH]n1)c1csc(Cc2ccccc2)n1 76042466 HPOOFUBBMCSYHE-UHFFFAOYSA-N 313.386 1.825 0 40 DDAB Cc1ccc(C(=O)NCc2nccn2Cc2ccccc2)c(=O)[nH]1 76066892 WGWZLICFMOBCHJ-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)C1(n2cnnn2)CCCCC1 170613280 OCTYMJPARNVBPD-MJBXVCDLSA-N 301.394 1.661 0 40 DDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)N(C)C)[C@H]3C2)o1 306132522 LLKFQACCJZLWPS-BPLDGKMQSA-N 307.394 1.306 0 40 DDAB O=C1N[C@H](CCC(=O)N2CCOCC2)C(O)=Nc2ccccc21 36589745 WFEILDMNENKADF-CYBMUJFWSA-N 317.345 1.026 0 40 DDAB Cc1ccnc2nc(C(=O)Nc3cccnc3-n3cccn3)nn12 25011876 BPBCQRFZBRZEDM-UHFFFAOYSA-N 320.316 1.266 0 40 DDAB O=C(Nc1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccccc1 36358353 XTBSTDRJZPLCNN-AWEZNQCLSA-N 314.341 1.051 0 40 DDAB COc1ccc(C[C@@]2(c3ccc(F)cc3)NC(N)=NC2=O)cc1 71974882 KAOHLRRBMOCLLJ-KRWDZBQOSA-N 313.332 1.717 0 40 DDAB CC(C)[C@H]1c2cccn2CCN1S(=O)(=O)c1cn(C)cn1 72368809 KGSVIHPMTMTYFC-AWEZNQCLSA-N 308.407 1.623 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@@]3(CO)CCOC3)[nH]n2)cc1C 189088473 SYKVQQUOLOMMOG-QGZVFWFLSA-N 315.373 1.575 0 40 DDAB CCS(=O)(=O)NCCN1CC[C@H](C)C[C@@H]1c1ccco1 76184335 VDSMDQTXSYTYTO-QWHCGFSZSA-N 300.424 1.992 0 40 DDAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC 217407520 WBCSXIKMUYGORL-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB O=C(NCC1(O)CCCCC1)C(=O)Nc1ccc(F)cc1F 77820723 PYOJEGRNYQDNST-UHFFFAOYSA-N 312.316 1.715 0 40 DDAB CO[C@@H]1COCC[C@@H]1CN1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O 561261829 ZXCOFFHMTKEXEW-MRTXSQPYSA-N 308.378 1.101 0 40 DDAB CCOC(=O)C(F)(F)S(=O)(=O)c1nc2ccccc2n1C 217576656 USSLBYOEUZJQEU-UHFFFAOYSA-N 318.301 1.503 0 40 DDAB CC1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 72238040 SHODZVTUDGEGRV-IAGOWNOFSA-N 316.401 1.843 0 40 DDAB CCc1nsc(N2CCN(CCc3ccccn3)CC2)n1 76063600 SZHLUVMPBLJYOB-UHFFFAOYSA-N 303.435 1.860 0 40 DDAB CCOC(=O)Nc1c(C)nn([C@]2(C)CCS(=O)(=O)C2)c1C 217364064 VCHGOLOMECHJHF-CYBMUJFWSA-N 315.395 1.602 0 40 DDAB Cc1nc(CN(C)C(=O)c2ccc3c(c2)OCCCO3)no1 183339933 NPSNRPRDQAJYOH-UHFFFAOYSA-N 303.318 1.812 0 40 DDAB Cc1snnc1C(=O)N1CCN(c2ccc(F)cc2)CC1 72239931 MKRKXPZIFKGQAZ-UHFFFAOYSA-N 306.366 1.948 0 40 DDAB CN(C[C@H]1CCN(CC(=O)O)C1)C(=O)OCc1ccccc1 79413663 XXRDPNVACFQFCB-CQSZACIVSA-N 306.362 1.662 0 40 DDAB Cc1csc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)n1 223282030 PTCDXKDHLRCTCO-UHFFFAOYSA-N 311.388 1.660 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)cc1 47496953 NQOMLRCYYFDWBN-SNVBAGLBSA-N 301.364 1.315 0 40 DDAB CCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944666 QDMKBOAGKFCTGI-LBPRGKRZSA-N 302.371 1.332 0 40 DDAB COc1ccccc1N1CCN(C[C@@]2(O)CCCN(C)C2)CC1 46087402 VELZRJHNRKMMLE-GOSISDBHSA-N 319.449 1.274 0 40 DDAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)N1CCOCC1 226851425 FKELAXFIXRIYMR-CQSZACIVSA-N 315.373 1.807 0 40 DDAB COc1ccc(C(=O)NCCSc2nc(C)n[nH]2)cc1OC 222933411 CYRLIHGEAKFMED-UHFFFAOYSA-N 322.390 1.652 0 40 DDAB CC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2[nH]nc(C)c2Cl)C1 91950532 NUMBMMDBKZCHKB-MNOVXSKESA-N 310.785 1.358 0 40 DDAB C[C@@H](Cc1ccccc1F)NC(=O)C(C)(C)NS(C)(=O)=O 96426280 HYXUFRRGZDRTKE-JTQLQIEISA-N 316.398 1.201 0 40 DDAB Cn1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1-n1cccc1 95447910 AUPGNPJWYCPGSJ-JKSUJKDBSA-N 322.368 1.599 0 40 DDAB Cn1cc(C(=O)O[C@H]([C@H]2CCCO2)C(F)(F)F)ccc1=O 96485233 BXYWKVQLUZYGSJ-MWLCHTKSSA-N 305.252 1.652 0 40 DDAB c1cc(NC2CCC2)nc([C@H]2COCCN2C2CCOCC2)n1 96219537 JCKPVOVWGMJCKX-OAHLLOKOSA-N 318.421 1.993 0 40 DDAB CNC(=O)Cc1noc(-c2cnc(OCC3CC3)c(Cl)c2)n1 97085376 DRFRCIPDFZTGJU-UHFFFAOYSA-N 322.752 1.862 0 40 DDAB O=C([C@H]1COC[C@H]2CN(C3CCCCC3)C[C@H]21)N1CCOCC1 96040726 OINFIRWGPVBJTE-OIISXLGYSA-N 322.449 1.372 0 40 DDAB C[C@@H](O)C[C@H]1COCCN1C(=O)NCCCc1cccs1 97095074 KUAZHLRUPCJXFD-OLZOCXBDSA-N 312.435 1.862 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DDAB CCCCCC(C)(C)CNC(=O)N1CCn2c(nn(C)c2=O)C1 195572590 PGXDHEFFIBTJMJ-UHFFFAOYSA-N 323.441 1.714 0 40 DDAB CC(C)CCN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2cccnc2)C1 96253312 CPYPWOWHPRBLOG-IXDOHACOSA-N 317.433 1.833 0 40 DDAB O=C(C[C@@H]1OC[C@H]2CN(C3CCC3)CC[C@@H]12)N1CCCCO1 96206122 FVFJJFBQOZDFGK-BMFZPTHFSA-N 308.422 1.820 0 40 DDAB COC[C@]12COC[C@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 96108655 CKUGCBFAQYVKRS-CXAGYDPISA-N 319.357 1.079 0 40 DDAB CCCn1ccc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc21 96439140 WBPIFTBABMYPRW-UHFFFAOYSA-N 323.418 1.881 0 40 DDAB CNC(=O)Cc1noc(CN2CCc3ccc(F)cc3[C@H]2C)n1 96455306 GMDKDKRDLORENZ-SNVBAGLBSA-N 318.352 1.617 0 40 DDAB Cn1cc(CN2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)cn1 96201811 WPDMPPVNOOYUJV-FUHWJXTLSA-N 310.401 1.526 0 40 DDAB O=C(O)C1CCN(c2nccn(Cc3ccccc3)c2=O)CC1 96530514 PZHKPVIYNLJAKS-UHFFFAOYSA-N 313.357 1.593 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCCC1 96042716 WASVOHZWFRSDOT-NUEKZKHPSA-N 308.422 1.267 0 40 DDAB Fc1ccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cc1 96185803 JATZKSZCKPKRBF-OKZBNKHCSA-N 320.408 1.890 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccncc1 96056479 NQYFJMYPJZEDLX-HZPDHXFCSA-N 302.422 1.209 0 40 DDAB Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CN(C)C)C2)cc(C)n1 248112205 KJMZSZYIACBVEL-INIZCTEOSA-N 313.405 1.654 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(CN)CO 242750669 ZVOWQZRRRJGKPV-XQQFMLRXSA-N 303.811 1.178 0 40 DDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 257330850 XQHCZRPTGTYDLM-CYBMUJFWSA-N 317.374 1.812 0 40 DDAB CC(=O)N1CCN(C(=O)c2cncnc2)[C@H](c2ccccc2)C1 257299776 RROATBODYFLLIF-INIZCTEOSA-N 310.357 1.522 0 40 DDAB CCN(CC)CCCN1C[C@H](C)N(S(C)(=O)=O)C[C@H]1C 252550892 SZZQJDIGWSDDGT-KGLIPLIRSA-N 305.488 1.073 0 40 DDAB CC(=O)N1CC2(CCN(Cc3cccnc3)CC2)C[C@]1(C)CO 257316016 VDTMVZYONLFLGV-QGZVFWFLSA-N 317.433 1.667 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)Cn2ccc3ccc(F)cc32)[C@H]1O 257294288 QTKSZKUUNAZFOW-FRFSOERESA-N 320.364 1.825 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccco1)n1cccn1 575605231 ORWSOMRFGGEDLG-CYBMUJFWSA-N 313.361 1.846 0 40 DDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)c3cncnc3)C2)c1 585268866 BVUKCLPILZAUAH-KRWDZBQOSA-N 313.357 1.441 0 40 DDAB CN1CC[C@@]2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O 585093424 VSFDBKIRAWRQFY-MRXNPFEDSA-N 324.371 1.868 0 40 DDAB NC(=O)c1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 27342305 UNJCCQFQPJKZCS-UHFFFAOYSA-N 311.385 1.813 0 40 DDAB CC(=O)N(C)CC(=O)NC[C@@H](C)N1CCc2sccc2C1 46243635 JCNYYLCOZHEAGG-LLVKDONJSA-N 309.435 1.089 0 40 DDAB Cc1cc(CCC(=O)N2CC(Cn3ccnn3)C2)ccc1F 1775985895 HBVDCOGCJMEPCX-UHFFFAOYSA-N 302.353 1.817 0 40 DDAB CCOC(=O)CCNC(=O)c1nc(OCC)ccc1Cl 49277623 QSZYZJLKKSIWMQ-UHFFFAOYSA-N 300.742 1.817 0 40 DDAB Cc1cc(C(=O)NCC2(O)CCOCC2)c2ccccc2n1 75228538 IYGWSJXUEFZVLE-UHFFFAOYSA-N 300.358 1.815 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2nc3ccccc3s2)CC1 85436815 XJDYWJDFNQZGTN-NSHDSACASA-N 305.403 1.435 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@](C)(O)CCC(C)C)cn1C 89709014 ZIGYRCOCUFKYBQ-CYBMUJFWSA-N 303.428 1.194 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(C)O3)cc1 1549161190 FECCBVPDTPTINT-UHFFFAOYSA-N 318.373 1.393 0 40 DDAB O=C(COc1ccccc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193312 HQWFIQZEFSQADS-CQSZACIVSA-N 310.353 1.987 0 40 DDAB O=C(CCCCC(=O)NC[C@H]1CCCO1)NC[C@H]1CCCO1 5631083 ZBKSMRAOZVOEQA-ZIAGYGMSSA-N 312.410 1.137 0 40 DDAB CCn1c(O)c(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 5903767 XGYFPNJAOHJSOJ-LLVKDONJSA-N 316.357 1.636 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 11637722 PGIVDJMBJWVWLG-UHFFFAOYSA-N 303.318 1.123 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C)c2)c1 14200168 DXKOXRWGDGSPDX-UHFFFAOYSA-N 300.314 1.582 0 40 DDAB C[C@H]1CCCC[C@@H]1N1C(=O)CN(NC(=O)c2cccnc2)C1=O 19496149 SRMXLJMVSFNUST-AAEUAGOBSA-N 316.361 1.569 0 40 DDAB CCc1nnsc1C(=O)NCCc1nc2ccccc2n1C 19521903 QXXWYPBUNVZIPB-UHFFFAOYSA-N 315.402 1.960 0 40 DDAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCCC3)ccc12 1522265 PRTVREQEMSZQKI-ZDUSSCGKSA-N 303.358 1.937 0 40 DDAB CC(C)CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153448 WFRSOTFRTCQFIY-UHFFFAOYSA-N 322.430 1.846 0 40 DDAB COc1c(-n2nc3ccccc3n2)cc(C)cc1S(N)(=O)=O 8782370 VRRWMTOQRGYWTF-UHFFFAOYSA-N 318.358 1.385 0 40 DDAB Cc1cnc(N2CCN(c3nc(C)cc(N(C)C)n3)CC2)nc1 1888899350 BTNBIEZSCNYCMW-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)NCCc2cccnc2)c1 23874627 CPOJRVZRKFBSRV-UHFFFAOYSA-N 304.371 1.458 0 40 DDAB CC1CC(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)C1 1614935942 ZHXZELJUMTZJEQ-QWQCLYJRSA-N 316.405 1.422 0 40 DDAB Cc1csc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 2086884329 CBODFSVGJIFSAJ-SNVBAGLBSA-N 301.437 1.502 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cncc(O)c3)C2)nn1 2298042985 OZMYBJFNSPFFSP-LBPRGKRZSA-N 314.345 1.427 0 40 DDAB O[C@H](COc1ccccc1)CN1CCN(c2ccncn2)CC1 1251195134 ZTLTXOHXSDOQPD-HNNXBMFYSA-N 314.389 1.039 0 40 DDAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCCS1(=O)=O 40088187 NFMQXQVJKKQOSY-UHFFFAOYSA-N 324.446 1.849 0 40 DDAB CCN(Cc1ccco1)S(=O)(=O)c1ncn(C)c1Cl 30445837 BKAOGIYTBCQFRS-UHFFFAOYSA-N 303.771 1.877 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCC2)on1 40106145 IIYUKBSFDSBECM-SNVBAGLBSA-N 300.380 1.345 0 40 DDAB CCCCN(CCO)C[C@H](O)COc1ccc(NC(C)=O)cc1 30529563 FLYYSMOQHZJOJC-INIZCTEOSA-N 324.421 1.479 0 40 DDAB CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 83226 WRRKVDXQYFFVMS-CYBMUJFWSA-N 321.402 1.243 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NC[C@H]1CCCO1 40266928 ZBXKTBOUCVNKOV-CYBMUJFWSA-N 307.398 1.309 0 40 DDAB COCCn1cc(NC(=O)c2ccc(C)cc2O)ccc1=O 31285899 LNSQTWIRXXIJLR-UHFFFAOYSA-N 302.330 1.761 0 40 DDAB O=S(=O)(c1ccccc1Br)N1CCCNCC1 20475491 VSMAYUINIICTJN-UHFFFAOYSA-N 319.224 1.433 0 40 DDAB CCCCc1nnc(NC(=O)N[C@H](C)c2nncn2C)s1 40554487 GHXKNIGHWGPMEQ-MRVPVSSYSA-N 309.399 1.892 0 40 DDAB Cc1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1F 40554134 GZHOCDFWFHYESA-UHFFFAOYSA-N 300.355 1.498 0 40 DDAB CC[C@@](C)(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1 40529011 GXCIKHOGQTUNTN-KRWDZBQOSA-N 317.389 1.191 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(Br)o1 40521345 COKNYEKWFVXRKH-SSDOTTSWSA-N 301.140 1.441 0 40 DDAB COc1ccccc1-c1nc(CC(=O)N[C@@H](C)C(=O)O)cs1 20724257 HASCIVJRYLFTOI-VIFPVBQESA-N 320.370 1.951 0 40 DDAB Cc1noc(N)c1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 32778471 QRDLZZVXJNYHLB-QMMMGPOBSA-N 314.301 1.720 0 40 DDAB COc1ccc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)cc1F 32719761 PEEZYSURYCGZRW-OAHLLOKOSA-N 310.369 1.953 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1 41130680 UXAUYVAGYAMUPK-GFCCVEGCSA-N 324.384 1.308 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NCC(F)(F)F 32907844 SSZOUIVSERVGNX-UHFFFAOYSA-N 324.324 1.489 0 40 DDAB O=C(NC[C@@H]1CCCO1)C1=NN(c2ccccc2)C(=O)CC1 32975832 VVKYDOHLAUEHTH-ZDUSSCGKSA-N 301.346 1.465 0 40 DDAB Cc1cc(C)n2nc(CCc3nc4nc(C)cc(C)n4n3)nc2n1 408265 BFFLIGMAXHPROU-UHFFFAOYSA-N 322.376 1.581 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(N2CCCC2)nn1 77154544 OAYUCEBAKSIVHA-OCCSQVGLSA-N 304.394 1.358 0 40 DDAB Cc1nn2c(=O)c(CCC(=O)Nc3cccnc3)c(C)nc2[nH]1 103320121 FCLWZCADKKKXMD-UHFFFAOYSA-N 312.333 1.001 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)CC(=O)c2ccccc2)cc1 1465987 ONYVFNRTXGLOKY-UHFFFAOYSA-N 318.354 1.546 0 40 DDAB Cc1nc([C@H](NC(=O)c2nccn2C)c2ccccc2F)no1 79065629 AOAQVRIYFILYIS-GFCCVEGCSA-N 315.308 1.770 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 3903738 IARBWFOJICOXTA-NFFDBFGFSA-N 319.744 1.799 0 40 DDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCNC(=O)CC1 54547444 HGWIHGMIDMYGLZ-UHFFFAOYSA-N 310.781 1.846 0 40 DDAB Cn1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cn1 101414458 WAFOEQRJZLJXLE-LBPRGKRZSA-N 313.317 1.149 0 40 DDAB Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)NCC(F)(F)F 24757294 VTIZJRLLNOOUOG-SQFXPLBJSA-N 312.313 1.607 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 24777847 FVEUOFYTWZBVMG-UHFFFAOYSA-N 322.430 1.283 0 40 DDAB CCN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(F)c1 24843664 BONKOSNOBBLEFC-UHFFFAOYSA-N 307.369 1.978 0 40 DDAB NC(=O)c1nnc2sc(-c3cccc(Br)c3)nn12 57338959 WCWDMROOCHSZSZ-UHFFFAOYSA-N 324.163 1.714 0 40 DDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccccc2)c1 12520868 GGMLWVZGIWXDFT-UHFFFAOYSA-N 315.358 1.678 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H]2CCCO2)c1 61964149 HFSWLCPJKTUGFD-GXTWGEPZSA-N 324.377 1.215 0 40 DDAB Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1 3223686 JLBITKQKSSHPPT-UHFFFAOYSA-N 318.280 1.878 0 40 DDAB in-vitro COC(=O)c1sccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101392005 JJPNGTUFVCGBKM-XKNYDFJKSA-N 323.326 1.127 0 40 DDAB CN1N=C(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)CCC1=O 95389919 GVHUEFRQIFUICU-LBPRGKRZSA-N 321.308 1.066 0 40 DDAB Cc1csc(=O)n1CCN1CCN(Cc2ccccn2)CC1 44891777 MYIHNTUNPQDPQR-UHFFFAOYSA-N 318.446 1.431 0 40 DDAB O=S(=O)(NCCN1CCCCCC1)c1ccc2c(c1)CCO2 48249504 JONLLWKTDCHZBV-UHFFFAOYSA-N 324.446 1.776 0 40 DDAB CCOC(=O)CN(CCOC)CC(=O)N(CC)c1ccccc1 44979379 WHKKUWXMPQNXPK-UHFFFAOYSA-N 322.405 1.551 0 40 DDAB C[C@H](NC(=O)CCn1cnc2sccc2c1=O)[C@@H]1CCCO1 27887629 LWOUSTPLISEQKI-JQWIXIFHSA-N 321.402 1.532 0 40 DDAB COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C)C2)cc1OC 27967236 OEOWSPJNMOYCCF-NSHDSACASA-N 315.391 1.422 0 40 DDAB Cc1csc(CNC(=O)CNC(=O)Cc2cccc(F)c2)n1 45040564 HZYBIGNMNWWRRT-UHFFFAOYSA-N 321.377 1.566 0 40 DDAB COc1ccc([C@H](C)NC(=O)CCn2cncn2)c(OC)c1 45242287 OXDSZVJPYLSSEW-NSHDSACASA-N 304.350 1.563 0 40 DDAB Cc1cnc(N2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1 107226424 FJIIOSWJYIBJNF-CZUORRHYSA-N 312.377 1.425 0 40 DDAB O=C(NCCc1cccs1)NCC1CCS(=O)(=O)CC1 95440213 WZJBDRJPJFKCMG-UHFFFAOYSA-N 316.448 1.415 0 40 DDAB O=C1CCCN1c1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1 45743158 RACXYIXYIWKQAC-GFCCVEGCSA-N 324.402 1.128 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1N 11520613 HPOQVOQDKCEASE-SECBINFHSA-N 306.391 1.117 0 40 DDAB C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc2c(c1)CCC(=O)N2 45986118 AFQOZDKULWDIRM-UWVGGRQHSA-N 324.402 1.182 0 40 DDAB O=C(CSc1nc2c(c(=O)[nH]1)CCC2)NCc1ccco1 11902873 OYXDACVLNWXSOH-UHFFFAOYSA-N 305.359 1.260 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccn2)cc1 3442425 YYLWACQAJWPICG-UHFFFAOYSA-N 319.386 1.561 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@H]2CC=CCC2)CC1 93057348 HPXFPHRKMVUPKI-SJORKVTESA-N 321.465 1.208 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4045170 ARGYSBFCUPNCDR-NKFCBESUSA-N 316.357 1.761 0 40 DDAB biogenic COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 13691756 FMWLAPNMYOQIEZ-JTQLQIEISA-N 301.306 1.117 0 40 DDAB COc1ccc(N2C(=O)C[C@@H](NNc3ccccc3)C2=O)cc1 4247717 XEVPXCAIPMAMQH-OAHLLOKOSA-N 311.341 1.944 0 40 DDAB O=C(c1ccoc1)N1CCN(Cc2nnc(C3CC3)o2)CC1 65474660 XMUFNKGEASBYCU-UHFFFAOYSA-N 302.334 1.498 0 40 DDAB O=C(CN1CC[C@@H](c2ccccc2)C1)N[C@@H]1CCCCNC1=O 65504166 XMIJAGVAOUHXCY-HZPDHXFCSA-N 315.417 1.261 0 40 DDAB COC(=O)c1cccc(C(=O)Nc2c3c(nn2C)CCC3)n1 65893967 PIAYSTCTQQCWNN-UHFFFAOYSA-N 300.318 1.343 0 40 DDAB O=C(CNC(=O)Cc1ccccc1)NCc1cn2ccccc2n1 7946012 SRDJPAJMBFLPPT-UHFFFAOYSA-N 322.368 1.309 0 40 DDAB Cc1ccc(C[C@H](C)NC(=O)NCCCS(C)(=O)=O)s1 96415363 AIEHMKMDHYKGNF-JTQLQIEISA-N 318.464 1.721 0 40 DDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2cnn(C)c2)C1 96420698 SUNZGJANTWGIIM-CQSZACIVSA-N 321.425 1.114 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC(C)C)CC2=O)c(OC)c1 8217476 VMIOTLNXHSQAFY-LLVKDONJSA-N 306.362 1.581 0 40 DDAB O=C(CSCC(=O)Nc1ccncc1)Nc1ccncc1 69462614 VXKGUCACNNRRQG-UHFFFAOYSA-N 302.359 1.787 0 40 DDAB CCOc1ccnc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1 69565028 PZSFWGHPIXVMCD-LLVKDONJSA-N 318.381 1.450 0 40 DDAB CNC(=O)Cn1cc(NC(=O)c2cc3nc(C)ccc3o2)cn1 69561149 OSAIYIKKZZRMDI-UHFFFAOYSA-N 313.317 1.331 0 40 DDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)Cc2ccccc2O)C1 69517750 QRPOEQOSYFMGPB-HNNXBMFYSA-N 316.401 1.700 0 40 DDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CSCC(N)=O 71821577 GIXCAHWOOQIWRD-QMMMGPOBSA-N 302.346 1.231 0 40 DDAB CCSc1ccc(NC(=O)CN2CCC(=O)NC2=O)cn1 69654840 UWCQJHIPUGRLOY-UHFFFAOYSA-N 308.363 1.074 0 40 DDAB Cc1ncsc1CCN1CCN([C@H](C)C(=O)NC2CC2)CC1 69698466 WGNGGOGBQFNMQM-CYBMUJFWSA-N 322.478 1.279 0 40 DDAB CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1 71803956 KGHPYCJIMPDBQS-CQSZACIVSA-N 310.419 1.872 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)C1CCCC1 71866327 OPJLXKSEYRMACT-JKSUJKDBSA-N 318.421 1.569 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](CN(C)C)C1 69739339 JUUQRFHBBFIJLZ-UKRRQHHQSA-N 321.421 1.444 0 40 DDAB C[C@H](O)CN1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 69740224 YFDRLAXVOAZEAD-UONOGXRCSA-N 316.405 1.796 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCCC[C@@H]1Cn1cncn1 71878722 KRKYJYKKDZXFFD-CQSZACIVSA-N 317.393 1.384 0 40 DDAB NC(=O)CCn1ccc(NC(=O)c2cccc(-n3cccc3)c2)n1 71910440 NWQNVCSEKJHZHK-UHFFFAOYSA-N 323.356 1.802 0 40 DDAB Cc1nsc(N2CCN(C(=O)c3ccc(O)cc3F)CC2)n1 97046101 VUGIIAUIKUVYNI-UHFFFAOYSA-N 322.365 1.654 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@H](C)C3)cc21 72286229 WTIOZAMJMWYKOP-LLVKDONJSA-N 324.402 1.005 0 40 DDAB CC[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)N1CCOCC1 84223795 QBOMLDRIBDKTCL-CQSZACIVSA-N 315.373 1.535 0 40 DDAB Cn1ccnc1[C@H](O)C1CCN(Cc2noc(C3CC3)n2)CC1 95442022 TYEOSYJYTNQUPL-CQSZACIVSA-N 317.393 1.626 0 40 DDAB Nc1ccnc(CNC(=O)CCOc2cccc(Cl)c2)n1 95993383 MISNKIDJDHJDNN-UHFFFAOYSA-N 306.753 1.798 0 40 DDAB C[C@H]1CO[C@H](CO)CN1C(=O)c1cncc(-c2ccccc2)c1 95979144 KUMBHEQCPVDNSC-GUYCJALGSA-N 312.369 1.970 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)s1 89657262 YXJOZZLMSJHZQZ-KRWDZBQOSA-N 307.462 1.588 0 40 DDAB C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 89632750 HZRPTHFZIJWYEF-STQMWFEESA-N 324.446 1.897 0 40 DDAB COCCN1CCC(CNC(=O)c2cnn(C(C)(C)C)c2)CC1 89761591 ZTQWGCQOTYUQLC-UHFFFAOYSA-N 322.453 1.726 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1csc(-c2ncccn2)n1 89938845 CAEKLJDNAFUMBI-JTQLQIEISA-N 303.391 1.376 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC=C(c3cccnc3)C2)C1 552273357 FYQFTJMUNSFGPF-QGZVFWFLSA-N 313.401 1.956 0 40 DDAB COCc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1 67889870 BPCJACGFHVUCBR-SKDRFNHKSA-N 302.396 1.327 0 40 DDAB biogenic,in-vitro COCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 409383977 SRUBJOJDORPLLR-VQHVLOKHSA-N 309.362 1.878 0 40 DDAB CN(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(F)(F)F)cn1 528510096 VZQKPWAYHAGELX-SNVBAGLBSA-N 323.340 1.863 0 40 DDAB CCN(CC(=O)NCc1cccs1)C(=O)c1cccn1C 32999678 ASNDRTFOQOZALN-UHFFFAOYSA-N 305.403 1.865 0 40 DDAB C[C@@]1(F)CNCCN(S(=O)(=O)Cc2ccc(F)cc2F)C1 564966767 KYSMPNRFGWIQNJ-CYBMUJFWSA-N 322.352 1.428 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(c2ccncc2)C1 72380898 HEBVZSJNTKXQBF-NSHDSACASA-N 306.391 1.592 0 40 DDAB COc1cccc2cc(C(=O)NCCn3ncccc3=O)oc12 38510243 VDWDYBRHPZWULB-UHFFFAOYSA-N 313.313 1.428 0 40 DDAB COc1cccc(C(=O)NCc2ccc(C(N)=O)cc2)c1OC 36728061 DMIOJTPWOTVLJJ-UHFFFAOYSA-N 314.341 1.733 0 40 DDAB Cc1cc(-n2cc(C(=O)N3CCC(N)CC3)nn2)ccc1F 71768199 ULVJXERTHUAWDN-UHFFFAOYSA-N 303.341 1.278 0 40 DDAB O=C1CNc2ncnc(N3CCN(c4ccccc4)CC3)c2N1 41120965 WUOHHNLWLYOWDD-UHFFFAOYSA-N 310.361 1.167 0 40 DDAB CC(C)CC[C@@]1(C2CC2)NC(=O)N(CCS(C)(=O)=O)C1=O 225446400 BKKDXAPLROBLJN-AWEZNQCLSA-N 316.423 1.168 0 40 DDAB CCN1C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 46115402 XVFPGPQAVCSRJW-CYBMUJFWSA-N 319.380 1.343 0 40 DDAB CCOC1(C)CN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 569315481 NGTRINXGNLIOAF-CYBMUJFWSA-N 306.410 1.443 0 40 DDAB COC[C@@](C)(NS(=O)(=O)c1cccnc1)c1ccccc1 80281580 DVHWFNCQMHMORB-OAHLLOKOSA-N 306.387 1.922 0 40 DDAB Cc1cccc(OCC(=O)NCCCN2CCOCC2)c1C 41288765 HKQBPEAOOKUXTJ-UHFFFAOYSA-N 306.406 1.521 0 40 DDAB COCCNC(=O)C(=O)Nc1ccccc1Br 48489215 DYGDMAQJDHWNHG-UHFFFAOYSA-N 301.140 1.150 0 40 DDAB O=[S@@]1[C@H]2CC[C@H]1CN(Cc1cc(O)nc(C3CC3)n1)CC2 528789703 SMRSNMJHDITCTP-OYMPBJRDSA-N 307.419 1.545 0 40 DDAB CCn1nncc1CNC(=O)Nc1cc(C(F)(F)F)nn1C 529128446 FKRDJYKUKVLINC-UHFFFAOYSA-N 317.275 1.372 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@@H]1C[C@@H](CO)[C@H](O)C1 85468901 LAAVOIIZVVFMLN-ZMSDIMECSA-N 315.369 1.467 0 40 DDAB COCCNC(=O)c1nnn(Cc2ccc(C)cc2)c1Cl 96183525 GWFYHTBTCBGGMH-UHFFFAOYSA-N 308.769 1.664 0 40 DDAB Cc1cnc(C)c(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)n1 195563792 AXQREBGSFHUUEU-HNNXBMFYSA-N 317.437 1.084 0 40 DDAB O=C(N1CCCC1)N1CCc2ncnc(N3CCCC3)c2CC1 96058733 SPMWGCROPQICBO-UHFFFAOYSA-N 315.421 1.693 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)o1 96055825 YAYIJWSECBNJHU-OLZOCXBDSA-N 324.402 1.369 0 40 DDAB CCS(=O)(=O)N[C@H]1CCCN(c2cc(C)ccc2F)C1=O 96409599 SISMHAZTCXOKFZ-LBPRGKRZSA-N 314.382 1.569 0 40 DDAB COC[C@@H]1CN(Cc2cccnc2OC)Cc2cnn(C)c21 96198200 CYZNTLCLXRTRGM-AWEZNQCLSA-N 302.378 1.570 0 40 DDAB O=C(c1ccno1)N1CCC[C@]2(COCCN(CC3CC3)C2)C1 96076314 GZKIQKPSGJNNST-QGZVFWFLSA-N 319.405 1.639 0 40 DDAB c1cnc(O[C@H]2CO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96222544 CYZBKWQGAJEBHU-CJNGLKHVSA-N 313.361 1.474 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96218761 IRVIHKDYQYJPFA-LRDDRELGSA-N 314.345 1.257 0 40 DDAB COCCN1CC[C@]2(CCCN(Cc3cccnc3)C2)C1=O 96223971 RDJYFRJRSXHBKL-KRWDZBQOSA-N 303.406 1.543 0 40 DDAB O=C(C1CC1)N1CCC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96222610 FINSKSUQVSBFMO-CZUORRHYSA-N 303.362 1.416 0 40 DDAB O=C(C1CC=CC1)N1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 96245148 ZNNWFJPQOOWUQX-CVEARBPZSA-N 311.385 1.465 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(OC)c1)C2 248163604 YVUBWUPDQWUWFR-AWEZNQCLSA-N 318.417 1.878 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1nc(C)cc(-c2cc(C)n[nH]2)n1 257301733 RZSKVGOMHKEILP-CQSZACIVSA-N 315.377 1.793 0 40 DDAB Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)no1 257300694 RVIJUUDTQSETCP-RBSFLKMASA-N 307.394 1.433 0 40 DDAB CCn1cc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c(C)n1 257330225 XNMFFZJRLGRHPO-RBSFLKMASA-N 317.393 1.292 0 40 DDAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)Cn1ccnc1 257332872 XZCSZAQVOKXXKU-HOCLYGCPSA-N 304.394 1.275 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H](Cc2cc(C(N)=O)ncn2)CC1 257220937 DMXBAVJQOAYOCJ-GFCCVEGCSA-N 318.421 1.793 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2scnc2C)CCO1 257259726 KZRSKNZYEYKOHC-LLVKDONJSA-N 305.407 1.857 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 257224509 FCCQBUQKNMMMBT-OAHLLOKOSA-N 315.377 1.393 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257288421 PUCSZBUNXCGBIE-OAHLLOKOSA-N 323.356 1.754 0 40 DDAB Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)n1 257200384 ADAMKXXXEARROW-MPTYRVRUSA-N 302.422 1.631 0 40 DDAB O=C(c1cccs1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257268481 MLWAORWEILKGKB-NSHDSACASA-N 319.386 1.575 0 40 DDAB C[C@@H](CNC(=O)N(C)[C@H](C)c1cccnc1)N1CCOC[C@H]1C 252477209 KBCRAKQMYGMZRS-RRFJBIMHSA-N 320.437 1.893 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1OCCO 390834058 RBNSWWCKGDVPBS-WCQYABFASA-N 309.362 1.364 0 40 DDAB Cn1cnc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)c1 585269406 SHKMNTLFTBVSEM-INIZCTEOSA-N 305.353 1.575 0 40 DDAB COCC(=O)NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21 585113006 ZVLJXVGHMUJQQK-ZDUSSCGKSA-N 318.377 1.186 0 40 DDAB C[C@H](NCCn1nc2ccccn2c1=O)c1ccccc1F 26903467 PPURZQMGLZWZMW-LBPRGKRZSA-N 300.337 1.986 0 40 DDAB COCC[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)nc1 69590828 DPAPLIXZQYHMNQ-GFCCVEGCSA-N 308.382 1.465 0 40 DDAB CCOC(=O)N1CCC(OC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 69164710 YZNNUGRAEAEQSS-ZIAGYGMSSA-N 321.377 1.688 0 40 DDAB Cc1cccc(N(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1C 55896556 MHVDPMWOQRIXPA-AWEZNQCLSA-N 324.446 1.938 0 40 DDAB CC(C)[C@@H](Sc1nnnn1C)C(=O)NCc1cccnc1 58368272 PANMIWPJMOYQFF-LLVKDONJSA-N 306.395 1.038 0 40 DDAB Cc1[nH]c2ccc(CNC(=O)NC[C@H]3COCCO3)cc2c1C 83996681 YJQLXZCFJHQFLK-AWEZNQCLSA-N 317.389 1.999 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN1C(=O)c1cccs1 84436834 STCNKLSFUMRBHP-AGIUHOORSA-N 322.430 1.772 0 40 DDAB Cc1cc(C)n(CC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 40474074 LHTFTPVOLWLSOD-AWEZNQCLSA-N 315.373 1.798 0 40 DDAB Cc1ccn2cc(C(=O)NCCN3C(=O)CSC3=O)nc2c1 40554785 GXQOXCJOLWPMEA-UHFFFAOYSA-N 318.358 1.068 0 40 DDAB Cn1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)nn1 655268567 NDRCAJUXVMKEEK-UHFFFAOYSA-N 322.372 1.778 0 40 DDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)C1 19938929 LJLUVJZOEQPWEF-GFCCVEGCSA-N 314.389 1.568 0 40 DDAB CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819718 CJNLYKHDVGHATF-AWEZNQCLSA-N 320.389 1.561 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 575614045 VNOZVVHGCSHOKQ-SNVBAGLBSA-N 319.814 1.385 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3459855 XZVNLCYBQPNCJZ-SJCJKPOMSA-N 317.389 1.758 0 40 DDAB CSc1ncc(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1 1888860417 BHIZYWQMDCDMHT-UHFFFAOYSA-N 320.422 1.521 0 40 DDAB O=C(N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)O)c1ccccc1 16893631 BRJYOLARVAXBNQ-ZDUSSCGKSA-N 313.309 1.841 0 40 DDAB Cc1nc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cs1 1889108444 JYLDIRXDMZXDTG-LLVKDONJSA-N 315.464 1.498 0 40 DDAB CCN=c1ccnc(N2CCN(Cc3cccc(F)c3)CC2)[nH]1 1889128444 OQEUAHCNPBFTKG-UHFFFAOYSA-N 315.396 1.792 0 40 DDAB Cn1cccc(C(=O)NCc2cccnc2-c2cccnc2)c1=O 238810935 AHEFYCUVJUJSNT-UHFFFAOYSA-N 320.352 1.772 0 40 DDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)CCF)C2)CC1=O 1565554743 YKJIKJIMVAZUOF-MRXNPFEDSA-N 323.368 1.602 0 40 DDAB CCc1ccc(C(=O)N2CC3(CCN(CCOC)C3)C2)cn1 1565554185 LQQNKKFFYRASTK-UHFFFAOYSA-N 303.406 1.438 0 40 DDAB CNC(=O)c1ccsc1NC(=O)[C@@H]1COc2ccccc2O1 4281812 BPRFUGZUOYSTQF-LBPRGKRZSA-N 318.354 1.886 0 40 DDAB CCCS(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9036285 VNFXXGPGTVQOCZ-NSHDSACASA-N 314.382 1.508 0 40 DDAB O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc2c(c1)OCO2 10220528 XNNMFNHACPCQMT-LBPRGKRZSA-N 305.330 1.831 0 40 DDAB CCC(=O)Nc1ccc(SCC(=O)NCc2ccco2)nn1 11738998 ZMUIUJNWGHRNOE-UHFFFAOYSA-N 320.374 1.827 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1nnc(C)s1 12236506 SWTHMACYUDPZEF-QMMMGPOBSA-N 323.403 1.387 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 12436776 NLBPMILMRQHRGY-NMWPEEMBSA-N 322.364 1.837 0 40 DDAB Cc1nnc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)s1 2086889255 WLNHYJLPHYLEAP-JTQLQIEISA-N 316.452 1.239 0 40 DDAB O=S(=O)(N1CCCC1)N1CC[C@H](n2cnc3ccccc32)C1 585149428 RKOPMYHAWYMFMI-ZDUSSCGKSA-N 320.418 1.624 0 40 DDAB CSc1ccccc1C(=O)N1CC(CN2C(=O)CCC2=O)C1 618256541 UFNKZTKPQJPXFW-UHFFFAOYSA-N 318.398 1.630 0 40 DDAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cn[nH]n2)cc1 96431929 BDXKJYIYNRKMDS-OAHLLOKOSA-N 314.389 1.977 0 40 DDAB c1nc(N2CCN(C[C@@H]3CCCO3)CC2)c2sccc2n1 28619974 JNRPTAGBGGSRIY-LBPRGKRZSA-N 304.419 1.992 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1C 30323668 JWABPMNKTYYXSC-UHFFFAOYSA-N 309.391 1.558 0 40 DDAB COC(=O)c1ccc(NCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 100537706 ZIFIQHUSOBRSCV-KBPBESRZSA-N 314.341 1.794 0 40 DDAB 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CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(F)c(F)cc2F)C1 97051830 QUFGGRQIDZKQAD-SNVBAGLBSA-N 322.352 1.618 0 40 DDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN(C2CC2)CC1 65476298 NFLDNTNXJKVBAQ-UHFFFAOYSA-N 311.385 1.377 0 40 DDAB CCOC(=O)N1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 14140781 JMAJIRCDPXCRPB-CYBMUJFWSA-N 309.341 1.126 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)CCn2cncn2)no1 72299405 TYZHRRWBOLVRRE-NSHDSACASA-N 304.354 1.538 0 40 DDAB COC(=O)N1CCC[C@@H](NC(=O)NCc2nc(C)cs2)C1 65620586 JPTRDHXARRYJCN-SNVBAGLBSA-N 312.395 1.482 0 40 DDAB COc1cc(C(=O)O[C@H]2CCOC2=O)cc(Cl)c1OC 5429890 KZWWQQSPKYJSQZ-VIFPVBQESA-N 300.694 1.830 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)c(OC)c1 66091589 ARZKNNZRUBWUJM-ZDUSSCGKSA-N 316.317 1.454 0 40 DDAB CC1(C)S[C@@H](CN2C(=O)c3ccccc3C2=O)N[C@@H]1C(=O)O 4664661 IWTQYSIKQIVUJY-WDEREUQCSA-N 320.370 1.177 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccn(C)c2)c(C)c1F 96008606 OAPKWQGEIHUTMJ-UHFFFAOYSA-N 312.366 1.960 0 40 DDAB O=C(NS(=O)(=O)NCc1ccco1)c1c[nH]c2ccccc12 6756737 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O=C(Cc1ccc2c(c1)OCCO2)NCCCn1ccnc1 8394212 QHCFTSFTGJWTII-UHFFFAOYSA-N 301.346 1.403 0 40 DDAB O=C(CN1CCc2c(ncn2C2CC2)C1)NCc1cccs1 69421033 OSBXTNLJGYKKFA-UHFFFAOYSA-N 316.430 1.954 0 40 DDAB Cc1cnn(C[C@H](C)NCc2cnc(N3CCCC3)nc2)c1 69490155 DUTLDTPCIPOLCP-AWEZNQCLSA-N 300.410 1.760 0 40 DDAB CCCc1nc(C)c(C(=O)N2CCn3c(C)nnc3C2)s1 69582962 NLKSZFLOICFKQO-UHFFFAOYSA-N 305.407 1.960 0 40 DDAB Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n(C)n1 91757091 IBHAAWZDIBFODO-BXUZGUMPSA-N 321.327 1.955 0 40 DDAB NC(=O)[C@H]1COCCN1CCOc1ccccc1C(F)(F)F 92231010 OZGGLMVHKQGMOD-LLVKDONJSA-N 318.295 1.270 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H]2Cn2cccn2)on1 71875604 OQPNTDQZNCOHSA-CHWSQXEVSA-N 303.366 1.671 0 40 DDAB Cc1cccc([C@H]2CCCN2CC(=O)N2CCNC(=O)C2)c1 71818428 JYDXULQXSPKPIZ-OAHLLOKOSA-N 301.390 1.090 0 40 DDAB CC(C)c1nnc2n1C[C@@H](Nc1ncnc3c1cnn3C)CC2 97199311 YAKLBKVTTIXBSI-JTQLQIEISA-N 312.381 1.505 0 40 DDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(Cc2ccccn2)C1 83836879 UZEOTSCJCWOZHA-MRXNPFEDSA-N 314.437 1.708 0 40 DDAB Cc1ccc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)o1 71916060 LYWXTICFJBNGOB-UHFFFAOYSA-N 315.377 1.406 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCn3c(nc(C)c3C)C2)on1 97201091 PJQIJKUFTJILCL-GFCCVEGCSA-N 303.366 1.639 0 40 DDAB CCn1nc(C)c(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1C 95971107 NOIZNIGJGVOBHK-KRWDZBQOSA-N 312.417 1.851 0 40 DDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 74675577 PLNMQQPALZFNJL-DOMZBBRYSA-N 321.469 1.704 0 40 DDAB COCCOCC(=O)Nc1ccc(C)nc1Br 89626744 YOVUPERWKSXWEO-UHFFFAOYSA-N 303.156 1.754 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2C1 89754412 SJCOHLWFOCCGHV-SCZZXKLOSA-N 306.387 1.408 0 40 DDAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCN1CCOCC1 22526015 CJLYZQCDOQMSQZ-INIZCTEOSA-N 306.406 1.601 0 40 DDAB CCCNS(=O)(=O)c1ccc(OC)c(NC(=O)OCC)c1 408587163 RSEKCXPGEJFMLT-UHFFFAOYSA-N 316.379 1.952 0 40 DDAB Cn1cc(CN2C[C@@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)cn1 306123732 AUVSNWLEWVWCKG-UKRRQHHQSA-N 303.387 1.175 0 40 DDAB CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 306135754 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CO[C@@H](C)CS(=O)(=O)NC[C@@H]1CCN(C)c2ccccc21 195127367 HEWPFLNMVCZKTF-STQMWFEESA-N 312.435 1.564 0 40 DDAB C[C@@H](NC(=O)N1CCC(Cn2ccnn2)CC1)[C@@H]1CCCOC1 332905671 NYGQXHOHQIPBLZ-UKRRQHHQSA-N 321.425 1.515 0 40 DDAB CN(C)CCCNC(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1 96192982 XEMBYPNZLIRHEM-MRXNPFEDSA-N 307.369 1.777 0 40 DDAB O=C(O)[C@@H]1CCCN(c2nccn(-c3ccccc3F)c2=O)C1 96530523 KTCQWUFPXLQHKS-LLVKDONJSA-N 317.320 1.673 0 40 DDAB O=C(O)CCC(=O)N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 96220092 RADJFCPEBFNEHE-CZUORRHYSA-N 319.361 1.118 0 40 DDAB C[C@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc(-n2cnnn2)cc1 90454051 XUAAZEVHSAITNP-SMDDNHRTSA-N 309.377 1.594 0 40 DDAB CC(C)Oc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 96255636 XVURASMOAZJBKQ-UHFFFAOYSA-N 301.394 1.598 0 40 DDAB CN1CCN(C(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)CC1 96192595 JKMZIBFXPZYFFU-INIZCTEOSA-N 305.353 1.483 0 40 DDAB CC(C)(C)c1nn(Cc2nnnn2-c2ccccc2)c(=O)o1 96472134 QHNIUAMSYRLCKR-UHFFFAOYSA-N 300.322 1.158 0 40 DDAB COc1ccc(CN2CCn3c(C(=O)N(C)C)cnc3C2)cc1 96198645 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C[C@@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)[C@@H]1CO 252551386 UDUMQPDMELFSDM-OUAUKWLOSA-N 309.332 1.035 0 40 DDAB COc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)cc1 257271123 MWYPQABVROPKRT-BFYDXBDKSA-N 307.390 1.625 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257204684 AVWXECIXJSHASB-IIAWOOMASA-N 318.377 1.220 0 40 DDAB O=S(=O)(c1cccnc1)N1CCNC[C@@H]1c1ccccc1 257309661 UBWAXOILIGIGOV-OAHLLOKOSA-N 303.387 1.417 0 40 DDAB CN([C@H]1CCCN(c2ccccn2)C1)S(=O)(=O)N1CCCC1 257332584 XXXWEKZWUAAMJP-AWEZNQCLSA-N 324.450 1.323 0 40 DDAB CC1CCN(CCC(=O)N2CCOC[C@H]2c2ccn[nH]2)CC1 257309264 UAGZANHHIRXLQI-HNNXBMFYSA-N 306.410 1.432 0 40 DDAB C[C@H](C(=O)O)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 263544248 FWVFEKGIMRLCQL-RLCGTCKNSA-N 324.764 1.449 0 40 DDAB CN1CC[C@H](NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)C1=O 363553902 YKCOZOWRFVDYOM-CABCVRRESA-N 319.380 1.773 0 40 DDAB CN(C)c1cccc(C(=O)NCc2cn(-c3ccncc3)nn2)c1 390831272 QVWJOUHKCWXAPH-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB O=C(CNc1ccccc1Cl)N[C@@H]1C=CS(=O)(=O)C1 575419591 WPIBQWBZAIKSBY-SECBINFHSA-N 300.767 1.179 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc4ncccc4c3)[C@@H]2C1 575425815 XIGCKBIELYPMRZ-CHWSQXEVSA-N 319.411 1.095 0 40 DDAB CCCC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C 585096334 IUDKYQKWVPKVDS-GFCCVEGCSA-N 318.421 1.655 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)/C=C/c2csc(C)n2)[C@H]1O 585290929 YCJPDVQSRMNEMX-AZTXLIBOSA-N 310.419 1.852 0 40 DDAB CO[C@H](C)CS(=O)(=O)Nc1cc(C)cc(F)c1C(=O)O 663266883 OIQAMSLKLFCUDI-MRVPVSSYSA-N 305.327 1.609 0 40 DDAB Cc1cnc(-c2cnc([C@H]3CCCN3S(C)(=O)=O)cn2)[nH]1 585178885 ZOMLBAWYONCSHM-GFCCVEGCSA-N 307.379 1.272 0 40 DDAB Cc1nccc(N2CCOC[C@@](O)(COc3ccccc3)C2)n1 585277379 VSGZQNFKRBGEFI-QGZVFWFLSA-N 315.373 1.432 0 40 DDAB CS(=O)(=O)/N=C(\O)[C@@H](c1ccccc1)N1CCCCC1=O 73086961 OUGFDECSJIVVRC-CYBMUJFWSA-N 310.375 1.656 0 40 DDAB Cc1ncnc(OCC2CCN(CCn3nccn3)CC2)c1C 1565522353 NOLNKIBMTFTEQT-UHFFFAOYSA-N 316.409 1.476 0 40 DDAB c1cncc(CN(Cc2ccco2)c2ccc3nnnn3n2)c1 89634789 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CC(C)(C)c1nccc(N2CCO[C@@H](C(=O)N3CCCC3)C2)n1 1889096221 HVYUYEMOMRJMJX-CYBMUJFWSA-N 318.421 1.602 0 40 DDAB OC1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 24053706 OOMRBHJPTAIXRN-UHFFFAOYSA-N 318.425 1.033 0 40 DDAB COC[C@H](C)NC(=O)CSc1nc(N)c2ccsc2n1 21762313 CXMXJFXWEDXEJI-ZETCQYMHSA-N 312.420 1.517 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@H]2CN(c3ccc(F)cn3)C[C@H]21 2087137598 VSIWRJXNNBAKHC-GXFFZTMASA-N 311.382 1.223 0 40 DDAB C[C@@]1(C(=O)N2CC3(CCN(S(C)(=O)=O)C3)C2)CC=CCC1 1565550393 BRDRVRCBJMHZAP-CQSZACIVSA-N 312.435 1.227 0 40 DDAB O=S(=O)(NCC1(N2CCOCC2)CCC1)c1cccs1 1775974561 JJFBHDVWVRRFOD-UHFFFAOYSA-N 316.448 1.281 0 40 DDAB Cc1nc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n(C)n1 97374349 LJTKXRDEHCPBHT-UHFFFAOYSA-N 300.297 1.701 0 40 DDAB C[C@@H]1c2ccc(-c3nnn[nH]3)n2CCN1C(=O)OC(C)(C)C 20282609 ZKUOUMWEDZGGNM-SECBINFHSA-N 304.354 1.980 0 40 DDAB CC(C)N1CCC(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)CC1 100797649 OTOZGQDRVHDHNH-JURCDPSOSA-N 308.422 1.722 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H](C)Cn1nc(C)cc1C 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C[C@@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1ccccn1 2402343 ZFVOVNIIJDQTRE-GZMMTYOYSA-N 300.430 1.475 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22618542 CJAYCYRXUIXIAA-VXGBXAGGSA-N 318.373 1.725 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnnn2C)c1 3513045 XOJPTSWYUKOXOF-SECBINFHSA-N 305.363 1.532 0 40 DDAB CCCCNC(=O)CSc1nnnn1-c1ccc(OC)cc1 3580321 VVKPJDTUFVKMJY-UHFFFAOYSA-N 321.406 1.679 0 40 DDAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 4498322 URHUCHPSROVYEZ-UHFFFAOYSA-N 316.288 1.809 0 40 DDAB CN(CC(=O)OCC(=O)c1ccc(Cl)cc1)c1ncccn1 23173392 HLHSHLPSWHJHIX-UHFFFAOYSA-N 319.748 1.992 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)C)c(C)c1 7038737 JBACRTOCQUTAPT-UHFFFAOYSA-N 312.435 1.805 0 40 DDAB CCc1cc2c(N3CCCN(CC(N)=O)CC3)ncnc2s1 54389039 BKCKPDRMUUSVKM-UHFFFAOYSA-N 319.434 1.251 0 40 DDAB COc1cc2c(nn1)CCN(Cc1noc(CC(C)C)n1)C2 84575210 LVHQLMWRFGDCAU-UHFFFAOYSA-N 303.366 1.625 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 42985872 ZISQNEIANBPDFK-SNVBAGLBSA-N 316.810 1.534 0 40 DDAB CCN(CCCNC(=O)Nc1ccccc1F)S(C)(=O)=O 56346272 DRDFCYHJDYJBED-UHFFFAOYSA-N 317.386 1.619 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(OC[C@@H]2CCCO2)c1 12539483 HLJAVOVDJKIKNZ-FZMZJTMJSA-N 321.377 1.500 0 40 DDAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(=O)[nH]c1 57064370 GRFAYBHQHHFBSB-GFCCVEGCSA-N 315.348 1.770 0 40 DDAB COc1cccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N(C)C)c1 57288435 JKFHBHXPQKTEBQ-OAHLLOKOSA-N 315.373 1.416 0 40 DDAB Cn1ncc(NC[C@@](C)(O)C2CC2)c(Br)c1=O 95396195 BNXWTVTUFJEEFZ-LLVKDONJSA-N 302.172 1.116 0 40 DDAB O=C(Nc1cccnc1)N1CCn2c(nnc2C(F)(F)F)C1 95399874 YIVGPJNBVDVJOZ-UHFFFAOYSA-N 312.255 1.740 0 40 DDAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](C)C3 20632306 SARNQJLJYJPZFF-ZETCQYMHSA-N 306.347 1.154 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)c3ccco3)CC2)C1=O 108532297 PSFRHLKMKVTDCJ-KRWDZBQOSA-N 320.389 1.771 0 40 DDAB COc1cc(CNC(=O)c2ccnn2C)ccc1OC(F)F 58114884 FRFLIHJTHDEGCT-UHFFFAOYSA-N 311.288 1.960 0 40 DDAB CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ncc[nH]1 84736263 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CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 2368337 PLKDAZVAABCOJG-VWPFQQQWSA-N 323.389 1.148 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@@H](C)OC[C@@H]3C)cnc12 45448668 VMASKRQTMWJIKF-QWHCGFSZSA-N 315.373 1.341 0 40 DDAB C[C@@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)[C@H](C)CO1 45447363 JDVCPULNWPWKQS-VXGBXAGGSA-N 317.345 1.139 0 40 DDAB CN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)NC3CCCCCC3)C[C@H]1O2 107263314 NUYJQECEJLLGKH-SOUVJXGZSA-N 323.437 1.596 0 40 DDAB Cc1nc(S(=O)(=O)N[C@H](C)C[C@H](O)c2ccco2)cn1C 95462046 MSKFHHGSDYZZBS-KOLCDFICSA-N 313.379 1.112 0 40 DDAB O=C1OCC[C@@H]1N1CCN(c2ncc(Cl)cc2Cl)CC1 48578819 PTCIEBLNFWPINW-NSHDSACASA-N 316.188 1.826 0 40 DDAB CONC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 12947842 BTKIRDCCNXOXSF-UHFFFAOYSA-N 310.309 1.774 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(O)c1 9022022 FHTNROTTYQNRSF-TXEJJXNPSA-N 307.346 1.493 0 40 DDAB CC(C)(CNC(=O)C1(c2ccccc2)CCOCC1)C(=O)O 95425510 PPJAMIDNZVWGCH-UHFFFAOYSA-N 305.374 1.962 0 40 DDAB O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 89883705 MYJIQPSNEOIJTH-HIFRSBDPSA-N 318.373 1.542 0 40 DDAB Cc1ccc(-n2ccn3c(CCC(=O)O)nnc3c2=O)cc1C 13362872 TVOCZSBYAOJLAX-UHFFFAOYSA-N 312.329 1.514 0 40 DDAB CN([C@@H]1CCNC1)S(=O)(=O)c1ccccc1Br 71310265 GQQWQVAAPICZCO-SECBINFHSA-N 319.224 1.432 0 40 DDAB O=C1CS[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 5010703 ADXAWKOSCUKSRY-MNOVXSKESA-N 301.364 1.071 0 40 DDAB C[C@H](c1ccccc1Cl)n1cnc2c1c(=O)n(C)c(=O)n2C 5173000 ITQCGYMSTHFHJR-SECBINFHSA-N 318.764 1.696 0 40 DDAB C[C@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)C(N)=O 19606106 ACFCHJBYDQDITH-WDEREUQCSA-N 309.387 1.988 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1 93530504 BTKAZIBEHGHFEV-WFASDCNBSA-N 314.389 1.985 0 40 DDAB O=S(=O)(c1ccc(Br)cc1)N1CCC(O)CC1 19780682 GVEHKGMOOHKQFN-UHFFFAOYSA-N 320.208 1.595 0 40 DDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1nncs1 65399548 HMXFOAUTVFRMNM-QWRGUYRKSA-N 311.411 1.161 0 40 DDAB CCN(CC)CCNC(=O)Nc1ccc(OCCOC)nc1 65575266 KOULFTFZGSQMTR-UHFFFAOYSA-N 310.398 1.570 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NC1CCCCCC1 14199583 HLLYWHBQLWPGKH-UHFFFAOYSA-N 310.423 1.837 0 40 DDAB CCCC(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306137161 QNELQVFBEGEFAR-CYBMUJFWSA-N 315.435 1.229 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc2c1ccn2C 89919992 CFWOQUMXWQBXSE-VXGBXAGGSA-N 320.414 1.826 0 40 DDAB COc1ccc(CCNC(=O)c2ccc[nH]c2=O)cc1OC 16601404 UTYRLRLCRUUJKH-UHFFFAOYSA-N 302.330 1.365 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 70020876 IYHNZECSXSWUFH-ZDUSSCGKSA-N 318.377 1.060 0 40 DDAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)CCNS(C)(=O)=O 69374420 WMRXLDMPYRTCGZ-ZDUSSCGKSA-N 324.446 1.926 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1 17636144 NBHDOZAHNBJQQM-SNVBAGLBSA-N 308.186 1.910 0 40 DDAB COCCN1CC[C@H](NC(=O)Nc2cccc(C(C)=O)c2)C1 69737641 WJXPRSNVRRUPPO-HNNXBMFYSA-N 305.378 1.731 0 40 DDAB O=C(COc1ccc(Cl)cc1)NC[C@H]1CN(C2CC2)CCO1 69893233 ZYHXCRVIDZVZGM-HNNXBMFYSA-N 324.808 1.698 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 69950729 DNDOEUJRGFKSJZ-IRXDYDNUSA-N 318.417 1.433 0 40 DDAB CC(C)c1nnc2n1CCN(Cc1nnnn1-c1ccccc1)C2 69947338 NCOICZURQNPMJC-UHFFFAOYSA-N 324.392 1.393 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@H]1Cn1cccn1 69970122 VJXHAFRNOCSNBY-HNNXBMFYSA-N 315.421 1.857 0 40 DDAB CC(C)c1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)no1 72232360 DIYGEXULMRXIDR-LBPRGKRZSA-N 318.381 1.581 0 40 DDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccn(C)n1 95952922 QNHUKYWUBOZVLA-HNNXBMFYSA-N 312.373 1.895 0 40 DDAB Cc1cc(O)ccc1C(=O)N1CC[C@@H](CN2CCOCC2)C1 95976478 PQYJNPPLJZMQQC-AWEZNQCLSA-N 304.390 1.495 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1csc(C)n1)C2 306128333 GXNXOCBJARGPJV-LBPRGKRZSA-N 309.435 1.634 0 40 DDAB COc1ccccc1CSCC(=O)N[C@@H]1CCCCNC1=O 89473773 MMIMHVVSVXOXHI-CYBMUJFWSA-N 322.430 1.713 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)Nc1ccn([C@H]2CCNC2)n1 547691717 OSWZVGVTBXSUOO-NSHDSACASA-N 306.316 1.877 0 40 DDAB Cc1ccccc1[C@@H](O)CNC(=O)[C@H](C(C)C)N1CCCC1=O 79028466 VANIFURUGRECGP-RDJZCZTQSA-N 318.417 1.792 0 40 DDAB C[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2ccccn2)C1 72388763 JSEQWGIOJWHBAB-INIZCTEOSA-N 313.361 1.098 0 40 DDAB O=C1CCCN1C[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn21 306141126 VLVHMPOKIUTFBK-CQSZACIVSA-N 317.393 1.078 0 40 DDAB Cn1nnnc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 530617681 IBYIHWCPAUVCHV-KRWDZBQOSA-N 312.421 1.703 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 74924318 XTSAZLPZKOXUOB-GFCCVEGCSA-N 317.432 1.111 0 40 DDAB Cc1c(C(=O)N2CCOCC2)cnn1-c1ccc(F)cc1F 32644940 RZBXCTIEQCIJGW-UHFFFAOYSA-N 307.300 1.931 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2ccc3[nH]ccc3c2)CCO1 72379919 LSXLFRHIGMJMDL-QGZVFWFLSA-N 301.390 1.847 0 40 DDAB COC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238276 VZHLDMMLWDLLCG-CZUORRHYSA-N 318.373 1.194 0 40 DDAB O=C(c1nnc2ccccc2n1)N1CCN(c2ccccn2)CC1 46088133 IJJYZOTZAZBZMR-UHFFFAOYSA-N 320.356 1.382 0 40 DDAB CCn1ccc(NC(=O)c2cc(NC(=O)C3CC3)n(C)n2)n1 46089083 IDSBFNZYYNWMRS-UHFFFAOYSA-N 302.338 1.237 0 40 DDAB CCC[C@@H](C)NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225883639 NSTUDRIIVHGARY-MRVPVSSYSA-N 319.452 1.766 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)NC2CCCCC2)s1 225733089 CCSAXTDXVRFZNK-UHFFFAOYSA-N 318.424 1.498 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 574330366 SLXAOOBXQFMGPH-YJRXYDGGSA-N 305.378 1.605 0 40 DDAB C[C@@H](C(=O)N1CCN(C2=NCC(C)(C)S2)CC1)n1cccn1 85263278 DVSBRFWZACRSST-LBPRGKRZSA-N 321.450 1.470 0 40 DDAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccccn1 224353754 BLHXLZOXWGLKOB-UHFFFAOYSA-N 312.377 1.790 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)Nc1ccn(CCN(C)C)n1 96435371 DYVMMXGEWHYNHS-UHFFFAOYSA-N 320.397 1.713 0 40 DDAB NC(=O)c1cnccc1N1CCN(CC2CCCC2)C(=O)C1 96503073 MJFBLSFUGAMHNJ-UHFFFAOYSA-N 302.378 1.019 0 40 DDAB O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1cncnc1 96239202 ANSYLQNVJJZPNS-QGZVFWFLSA-N 309.373 1.501 0 40 DDAB CC(C)(C)n1cc(C(=O)NCCCOC2CCOCC2)cn1 96423845 NDWITKYKCXNFFT-UHFFFAOYSA-N 309.410 1.954 0 40 DDAB O=C(O)[C@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 96515940 GKVYPJABAMBYOV-ZETCQYMHSA-N 315.255 1.444 0 40 DDAB O[C@H](COc1ccc(Cl)c2cccnc12)CN1CCOCC1 95439028 OOOCMTFLAPTGMT-LBPRGKRZSA-N 322.792 1.960 0 40 DDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)CCc1cn(C)c2ccccc12 95450095 AXGOOMLRTARPKW-UKRRQHHQSA-N 316.401 1.719 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1nncn1-c1ccccc1 96493716 ULCVJIGIUKBANM-UHFFFAOYSA-N 310.361 1.799 0 40 DDAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)NC1CC1 96206544 DCVQVSFSJSQCFY-FVQBIDKESA-N 304.390 1.785 0 40 DDAB O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC=CCC1 96432222 ZQHVOAFBBVRICA-VXGBXAGGSA-N 309.391 1.538 0 40 DDAB C[C@H]1CO[C@@H](CO)CN1C(=O)CCc1cn(C)c2ccccc12 95450096 AXGOOMLRTARPKW-DZGCQCFKSA-N 316.401 1.719 0 40 DDAB CC[C@@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C[C@H](C)O1 96410729 MZUBPBKZLOZVMX-CFVMTHIKSA-N 323.441 1.232 0 40 DDAB CC[C@H](O)CN(CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccccc1 96424747 BLMRDTHFNHOYMO-UXLLHSPISA-N 320.433 1.900 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)N1CCCC1)CC2 96058818 FGYADIQVKIWLPQ-UHFFFAOYSA-N 303.410 1.549 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ocnc3C)CCO2)ncn1 257303314 SGSBVCNAWQUJQW-CQSZACIVSA-N 316.361 1.555 0 40 DDAB CCc1cc(N2CC[C@@H](N3CCN(CC)CC3)C2)nc(C)n1 253425726 CHOXNAJZSKWMTE-MRXNPFEDSA-N 303.454 1.564 0 40 DDAB CN1C(=O)CO[C@H]2CCN(C(=O)CCc3ccccc3)CC[C@@H]21 257285464 PHDYDCHHZJYNRO-HOTGVXAUSA-N 316.401 1.467 0 40 DDAB Cc1ccccc1C(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257252070 JTKNBKFPOJGVEI-IRXDYDNUSA-N 318.417 1.293 0 40 DDAB CN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 257205017 AXGCXSNHKRRPDK-MAUKXSAKSA-N 315.417 1.213 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257268273 MKYHTXVTHYMCCJ-ZDUSSCGKSA-N 303.387 1.868 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1cncnc1C 257326831 WYUFICFZWUMORM-HNNXBMFYSA-N 312.373 1.580 0 40 DDAB COCCN1CCC[C@H](Cc2cnc(-c3ccnn3C)cn2)C1 257316072 VDZLSHSLMPRKQG-CQSZACIVSA-N 315.421 1.778 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(N)C(=O)O 252516130 QFGKNOHDHKYYJJ-CKYFFXLPSA-N 303.767 1.023 0 40 DDAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC2)n1 604382377 POCNCXDTSVABIS-QBPKDAKJSA-N 319.449 1.643 0 40 DDAB biogenic,in-vitro CC(C)(C)c1cc(C(=O)N2CCO[C@@H](c3cnccn3)C2)[nH]n1 257199773 AATTXFTTXRENEQ-CYBMUJFWSA-N 315.377 1.711 0 40 DDAB O=C([C@H]1CCc2[nH]ncc2C1)N1CCN(c2ccccc2)CC1 270161100 YRBBOZKKKYGXHX-AWEZNQCLSA-N 310.401 1.863 0 40 DDAB Cc1ccc(CNC(=O)NCC(=O)N2CCC=C(F)C2)cc1 281489336 HIAVPIOFBURMMN-UHFFFAOYSA-N 305.353 1.880 0 40 DDAB O=C(C[C@@H]1CCCC[C@H]1O)NCCN1C(=O)Cc2ccccc21 283023937 KABQQSPTUGONDI-GOEBONIOSA-N 316.401 1.633 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585280176 ZEUTZRODAZMCBJ-IAGOWNOFSA-N 303.402 1.865 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N1CCN(CCO)CC1 35117549 PLQVRYCEQZOYQL-UHFFFAOYSA-N 312.797 1.028 0 40 DDAB CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(N)=O 57050634 ORWHQPKNYDMYDN-UHFFFAOYSA-N 306.753 1.724 0 40 DDAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C)CC(N)=O)cc1 47628912 ZRGPUGCISYHYNT-CYBMUJFWSA-N 305.422 1.479 0 40 DDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cnccn2)c1 49121445 RYYBPZQNFHADJT-GFCCVEGCSA-N 312.373 1.935 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCS(C)(=O)=O)cc1 56880543 BOPXNWGUQFIVBY-GWCFXTLKSA-N 324.402 1.056 0 40 DDAB C[C@H]1C[C@@H]1c1cc(NC(=O)c2c[nH]c3c(cnn3C)c2=O)[nH]n1 97162486 QWELWJSYCPFDEA-YUMQZZPRSA-N 312.333 1.360 0 40 DDAB Cc1ccsc1CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 107143598 DAPLKEFMWKITEB-NWDGAFQWSA-N 318.464 1.842 0 40 DDAB N[C@H]1C[C@@H](NC(=O)C2(C(F)(F)F)CCOCC2)C12CCC2 1580167070 ZKDWOHRYENCZFL-VHSXEESVSA-N 306.328 1.732 0 40 DDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)C1CC1 85467357 TWSVEYPKNBFBJO-OAHLLOKOSA-N 304.365 1.885 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(Cc3cn(C)cn3)CC2)C1 1615152760 DJFNCROWVPAUDO-MRXNPFEDSA-N 320.437 1.412 0 40 DDAB COc1ccccc1NC(=O)CSc1nc(=O)c(C)n[nH]1 5625772 QQZIEWVOGBWGJV-UHFFFAOYSA-N 306.347 1.213 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CN(Cc1coc3ccccc3c1=O)CC2 12733189 NVHXEVHGQBKMFM-UHFFFAOYSA-N 323.352 1.743 0 40 DDAB Cn1ncc2cc(C(=O)N3CC[C@H](Oc4ccccn4)C3)cnc21 531918971 NSRDDAIQZLVBJL-AWEZNQCLSA-N 323.356 1.657 0 40 DDAB CNC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 21989795 KJKLYYIAJQQKAF-NSHDSACASA-N 320.374 1.166 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1CCN(CC2CCS(=O)(=O)CC2)C1 1889073516 HHJPKVIAWUTEHX-CYBMUJFWSA-N 316.467 1.048 0 40 DDAB Cc1oncc1CN1CCN(c2nccc(N(C)C)n2)CC1 1889090934 LKWGXZRFZMLVJF-UHFFFAOYSA-N 302.382 1.161 0 40 DDAB O=C(Cn1ncccc1=O)N1CC2(CC(c3ccccc3)C2)C1 1848731868 ROLIVLCPJJZEAS-UHFFFAOYSA-N 309.369 1.650 0 40 DDAB CCN(CCC(=O)OC)S(=O)(=O)c1cc(F)ccc1C 38024766 XSLSBZJANMBZFR-UHFFFAOYSA-N 303.355 1.708 0 40 DDAB O=C(N1CCN2CCc3c(ncn3CC3CC3)[C@H]2C1)C1(F)CC1 1614933907 HNOGGUVNFLWXIN-CQSZACIVSA-N 318.396 1.537 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 5194640 UTNJJJLMKIYSDE-RYUDHWBXSA-N 309.341 1.001 0 40 DDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(CN(C)C)c2C1 2055732568 OXVXUKOGOBPZAK-JTQLQIEISA-N 304.350 1.320 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(C(=O)/C=C/c3cccs3)C[C@@H]2O1 2055718415 YNPRPJNUIHCCMP-WVUWEAKVSA-N 320.414 1.513 0 40 DDAB CCCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055717970 PIUJKBWDSQIGJC-ZDUSSCGKSA-N 320.437 1.842 0 40 DDAB O=C(c1ccccc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775967662 ZSAIIZTUAYXGMI-UHFFFAOYSA-N 309.369 1.893 0 40 DDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cnc[nH]1 225807804 HYDFFSPWPGNMDL-UHFFFAOYSA-N 310.239 1.401 0 40 DDAB c1cnc2[nH]c([C@H]3CCCNC3)c(CN3CCOCC3)c2c1 72394707 GNFFVPWNYPZQDP-ZDUSSCGKSA-N 300.406 1.862 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@H]13)O2 488187 MCUHIBYSSDHIOM-ZXFNITATSA-N 313.353 1.845 0 40 DDAB biogenic CC(C)c1noc(CCCC(=O)N[C@@H]2CCCCNC2=O)n1 40533917 SGSVQQKWAPSBHY-LLVKDONJSA-N 308.382 1.301 0 40 DDAB O=C(Nc1nc[nH]n1)C1CCN(c2ccc(Cl)cn2)CC1 32638403 LKDXCUZDMJGNAA-UHFFFAOYSA-N 306.757 1.708 0 40 DDAB CN1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 32731235 NOTMHDYVPVBIPA-UHFFFAOYSA-N 317.311 1.031 0 40 DDAB Cc1csc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)n1 32882218 KTJVDELEUCIKKY-UHFFFAOYSA-N 314.370 1.547 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)CN1C(=O)COc2ccccc21 33207699 QZLNMPDICUAAQK-GFCCVEGCSA-N 314.341 1.752 0 40 DDAB COc1ccc(/C=C/C(=O)NC(=S)NC[C@H]2CCCO2)cc1 508677 GDZFYLJPBLDKOU-VIIAAUOXSA-N 320.414 1.878 0 40 DDAB CN(CC(=O)Nc1nncs1)Cc1ccc2c(c1)OCO2 53135123 HVWFXWRHVUISLR-UHFFFAOYSA-N 306.347 1.337 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(C(=O)c2ccco2)CC1 61190951 WTEDKQSPBKPVKD-UHFFFAOYSA-N 321.421 1.590 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@H](C(F)(F)F)C1 47058768 NSNSJDUIYUJNCG-JTQLQIEISA-N 317.315 1.872 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(Cc1nccn1C)C1CC1 47281996 FYTDCBQTIJXUME-UHFFFAOYSA-N 310.379 1.378 0 40 DDAB CC1CCN(C[C@H](O)CNC(=O)c2cc(F)ccc2F)CC1 78595488 BNNQBPTYYUTASV-CYBMUJFWSA-N 312.360 1.787 0 40 DDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3cccnc3)C2)C1=O 78899278 FRCRIAKELOGGGH-CZUORRHYSA-N 302.378 1.234 0 40 DDAB COCCn1cc(CC(=O)NCCN(C)C)c2ccccc21 79190744 XUXQIYPETPVZLB-UHFFFAOYSA-N 303.406 1.508 0 40 DDAB biogenic CN1CCN(CCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 53691664 DZLDBDXYPOLWAI-UHFFFAOYSA-N 319.493 1.957 0 40 DDAB Cc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 3389173 IOSPYHGJFQZMRK-UHFFFAOYSA-N 312.376 1.558 0 40 DDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1ccc(F)cc1 4139378 OCJLHIKHGMXYKZ-CQSZACIVSA-N 317.320 1.792 0 40 DDAB CC(=O)c1ccccc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4195928 KRSGOHOGXBDPAJ-RFGFWPKPSA-N 303.314 1.706 0 40 DDAB O=C(NCCc1nccs1)N1CCc2ccccc2[C@H]1CO 97016050 UMSRACDVPREKRS-CQSZACIVSA-N 317.414 1.987 0 40 DDAB O=C(c1ccc2c(c1)CCC2)N1CCC(N2CCNC2=O)CC1 54318350 BJHRXPRUZDCESQ-UHFFFAOYSA-N 313.401 1.805 0 40 DDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCC[C@@H]2c2ccccc2)N1 42659849 XJAOFNKUZNDTOW-CHWSQXEVSA-N 301.346 1.338 0 40 DDAB Cn1cc([C@H]2CCCN2C[C@@H](O)COCc2ccco2)cn1 106837535 UVUPEFKEKHMBOQ-GDBMZVCRSA-N 305.378 1.728 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1 8981779 RRVIWIKUNXBRBQ-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NC(C)(C)CC 108087522 ZAKXJJFVVVTDNF-YUELXQCFSA-N 311.470 1.916 0 40 DDAB CC(=O)c1cccc(NC(=O)COC(=O)C2=COCCO2)c1 3217293 ZHXWCFCAFMNNHJ-UHFFFAOYSA-N 305.286 1.259 0 40 DDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCc1ccncc1 58011947 MTTBCXCHGCINPA-GOSISDBHSA-N 323.352 1.854 0 40 DDAB CC(C)CN1CCC(C(=O)NCCNC(=O)c2ccco2)CC1 58089932 JGTZQISEQXHTCJ-UHFFFAOYSA-N 321.421 1.494 0 40 DDAB CCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2093682 WYQWCCJBWCSFIJ-LLVKDONJSA-N 314.407 1.376 0 40 DDAB Cn1cc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cn1 58283790 HRJCDTGVHQHTRI-OAHLLOKOSA-N 312.373 1.592 0 40 DDAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)cn1 107728287 PCYJXNLEZDMUNJ-GDBMZVCRSA-N 300.362 1.915 0 40 DDAB C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 44954153 BFIFYSSPBKJLPQ-OCCSQVGLSA-N 319.409 1.312 0 40 DDAB CN(CC(=O)Nc1nccs1)Cc1ccc2c(c1)OCCO2 22007764 CUXXVGKDORAQMM-UHFFFAOYSA-N 319.386 1.985 0 40 DDAB COc1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccccc2)cc1 101268033 NGIVGQYVXNWQGB-OWCLPIDISA-N 324.336 1.829 0 40 DDAB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)C1CCCCC1 58522021 XHNQHEFJCWDNGN-CYBMUJFWSA-N 317.389 1.548 0 40 DDAB CCCOc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 48345321 QVCORFORBBVZGL-LBPRGKRZSA-N 312.391 1.784 0 40 DDAB Cc1ccnc2nc(C(=O)Nc3ccnn3C3CCCC3)nn12 48363156 NXZYUZOMDZCFJZ-UHFFFAOYSA-N 311.349 1.997 0 40 DDAB CC(C)N1CCN(C(=O)Cn2cnc3sccc3c2=O)CC1 45522627 WBXJPPCWMPHDOG-UHFFFAOYSA-N 320.418 1.011 0 40 DDAB CCOCC(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 11397160 UWRRIVOKNJRBNZ-SNVBAGLBSA-N 311.334 1.569 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)O)C(=O)O 27727766 REOCNKZXONOGGX-CHWSQXEVSA-N 307.346 1.545 0 40 DDAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2ccccc2F)C1=O 28913731 SCZIITUFGBXSJZ-MLGOLLRUSA-N 318.304 1.919 0 40 DDAB O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 84543868 SRULFRFWFKHBJW-CYBMUJFWSA-N 309.410 1.209 0 40 DDAB Cc1c(C(=O)N2CCN(Cc3ccsc3)CC2)cnn1C 29953160 BSQHJDNXAPOFCE-UHFFFAOYSA-N 304.419 1.748 0 40 DDAB CC(C)NC(=O)CSc1nnc(-c2ccccc2F)n1N 3438711 DMWLGQHOEBJKHD-UHFFFAOYSA-N 309.370 1.415 0 40 DDAB CS(=O)(=O)c1nc(C(=O)NC2CCCC2)c2ccccn12 83990033 LKLFHOWKHCULFD-UHFFFAOYSA-N 307.375 1.410 0 40 DDAB Cn1ccnc1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6143716 XWBFUPMCVFXVGZ-UHFFFAOYSA-N 319.386 1.436 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1 5170835 QQNFQIPDMIMEML-UHFFFAOYSA-N 323.352 1.961 0 40 DDAB CCNC(=O)NCCCOC(=O)c1cccc2c1OCCO2 68038024 WTWYVGAJDPRTDS-UHFFFAOYSA-N 308.334 1.324 0 40 DDAB CS(=O)(=O)CCS(=O)(=O)Cc1ccc(Cl)s1 65647605 HORLJLXFWKGIEC-UHFFFAOYSA-N 302.826 1.361 0 40 DDAB CCOc1ccc(C(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 4505097 ZSFZBFNFILUKQJ-HNNXBMFYSA-N 311.403 1.735 0 40 DDAB O=C1C[C@@H](C(=O)Nc2nc(Cc3ccccc3)cs2)CN1 96009758 LDTWQJBMFPFLPX-LLVKDONJSA-N 301.371 1.809 0 40 DDAB Cc1cnc(CN(C)[C@@H]2CCCN(Cc3noc(C)n3)C2)cn1 72234583 QPLSHEPQGAJCOG-OAHLLOKOSA-N 316.409 1.573 0 40 DDAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(=O)[nH]c1 14416284 DWYHAHGMVFGMAV-UHFFFAOYSA-N 308.341 1.533 0 40 DDAB CCOC(=O)c1c(NCCN(C)C)c2ccccc2[nH]c1=O 4785504 SPOWSUGGAQGZFJ-UHFFFAOYSA-N 303.362 1.678 0 40 DDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccccc1F 5628608 ZVAXSDYLHGSFED-UHFFFAOYSA-N 320.320 1.938 0 40 DDAB COCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 6881241 FQGNGSVJHBJHGF-UHFFFAOYSA-N 312.369 1.846 0 40 DDAB CN(C)C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 7089071 SYTJPGKBDVJYQY-NSHDSACASA-N 321.358 1.762 0 40 DDAB COCCS(=O)(=O)c1ccccc1C(=O)N1CCCCC1 80341351 BRLJFDZXTPLYSA-UHFFFAOYSA-N 311.403 1.733 0 40 DDAB CC(C)(C)NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858516 LXMRBXMWXLCNKG-UHFFFAOYSA-N 310.375 1.281 0 40 DDAB CN(C)c1nc(N)nc(COc2ccccc2Br)n1 16341310 DWTNFMFUQCWRJL-UHFFFAOYSA-N 324.182 1.861 0 40 DDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 16444061 OYIQECLKIOBREY-LSDHHAIUSA-N 317.433 1.807 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCc1ccc(F)cc1 8212644 DHNVMCVNYUXCQP-UHFFFAOYSA-N 322.365 1.454 0 40 DDAB CC(C)c1nc2n(n1)C[C@@H](NCc1nnc(C3CC3)n1C)CC2 70040888 PAOJQJLUTBFFQU-LBPRGKRZSA-N 315.425 1.512 0 40 DDAB COCCN1CCN(Cc2nc(-c3ccoc3)no2)C[C@H]1C 70008557 CTXNKSZKDDVWAX-GFCCVEGCSA-N 306.366 1.482 0 40 DDAB COc1ccc(OCCn2cnc3c(cnn3C)c2=O)cc1 17180344 SXHSEASHVXMLOR-UHFFFAOYSA-N 300.318 1.218 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cc2ccccc2O)C1 69517751 QRPOEQOSYFMGPB-OAHLLOKOSA-N 316.401 1.700 0 40 DDAB C[C@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C[C@H](C)O1 17327345 VSQHPPAWBHJGBQ-KBPBESRZSA-N 316.401 1.992 0 40 DDAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCn3c(C)nnc3C2)cc1 69655114 RNQCOYFUPGDFNV-LSDHHAIUSA-N 312.373 1.741 0 40 DDAB CC(C)(C)c1n[nH]cc1CNCc1ccc(OCC(N)=O)cc1 71837019 HITVJDGXGPPGET-UHFFFAOYSA-N 316.405 1.861 0 40 DDAB O=C(NCc1noc(-c2ccsc2)n1)c1ccc(=O)[nH]c1 71839228 OKMQMGXGHVXFJF-UHFFFAOYSA-N 302.315 1.416 0 40 DDAB CCc1c(C(=O)N2C[C@H](CO)OC[C@@H]2C)cnn1CC(C)C 92382124 JWMBBAAFVSBHIM-QWHCGFSZSA-N 309.410 1.323 0 40 DDAB COC(=O)c1ccc(-c2noc(C3=NN(C)C(=O)CC3)n2)cc1 83877138 GJIXQCDZDCAUOH-UHFFFAOYSA-N 314.301 1.480 0 40 DDAB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)O)C1 83888599 IACZAPQHUMCRKB-DGCLKSJQSA-N 302.330 1.649 0 40 DDAB O=C(NCC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 8768719 RUJQKTLFRYNMIJ-UHFFFAOYSA-N 323.418 1.181 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@@H](N(C)C)[C@H](C)C1)C2 84714274 UZEFCOOTGIPIIU-XNRPHZJLSA-N 318.417 1.655 0 40 DDAB CC(C)CN1C[C@H](C(=O)Nc2ccc3c(c2)COC3=O)CC1=O 95476270 KRVCTBXQLKDJQS-LLVKDONJSA-N 316.357 1.800 0 40 DDAB O=C(c1ccc[n+]([O-])c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 95464530 OAUXEFKWPPILMX-INIZCTEOSA-N 302.305 1.193 0 40 DDAB O=S(=O)(Cc1ccccc1F)NC[C@H](O)Cc1ccccc1 95432980 MLXUOJRFYJTZFL-OAHLLOKOSA-N 323.389 1.849 0 40 DDAB NCC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 95432064 SYUCAMUBERFOPH-UHFFFAOYSA-N 324.233 1.938 0 40 DDAB CC(C)(C)NC(=O)N1CCC(NC(=O)c2cscn2)CC1 95983098 CAOURYGISOJBFM-UHFFFAOYSA-N 310.423 1.845 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCCO3)CCO2)n1 76046342 UIIZUBKIPUMKLJ-MNOVXSKESA-N 308.382 1.181 0 40 DDAB Cc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)O)cc1F 76081921 JSKJUYNJHJWEOH-UHFFFAOYSA-N 314.294 1.930 0 40 DDAB CCN(C)S(=O)(=O)N(C)[C@H](C)Cc1ccc(OC)cc1 110650538 SMQFPUBYOFTZKH-GFCCVEGCSA-N 300.424 1.755 0 40 DDAB COC(=O)[C@@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)C(C)C 32096445 TVVWFOUJFBSCQV-GJZGRUSLSA-N 320.389 1.967 0 40 DDAB COCc1nc(CNC(=O)c2cc(O)nc(C3CC3)n2)cs1 517583732 HMIKAHWGZUFLID-UHFFFAOYSA-N 320.374 1.593 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@@H]1C=CCC1 32850779 HRXNMUOZXTZJSD-SNVBAGLBSA-N 310.375 1.637 0 40 DDAB COCCNc1nccnc1C[C@H]1CCCN(C(C)=O)CC1 72364891 MBRULJCYOMTVAM-AWEZNQCLSA-N 306.410 1.726 0 40 DDAB CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(-c2ncon2)c1 79800757 ZOARFGDRYXEPCR-CYBMUJFWSA-N 302.334 1.971 0 40 DDAB C[C@H]1CN(C[C@H](O)COc2ccc3c(c2)OCO3)C[C@H](C)O1 34118500 KKIZAFMRMYUXOL-AVGNSLFASA-N 309.362 1.264 0 40 DDAB COc1nccc(CN(C)Cc2ccc(OCC(=O)O)cc2)n1 567280983 DBQIWKOYEKISCF-UHFFFAOYSA-N 317.345 1.581 0 40 DDAB CNC(=O)c1ccc(N(C)CCOc2cccc(F)c2)nn1 74741853 GAPXSBNONGSCCF-UHFFFAOYSA-N 304.325 1.491 0 40 DDAB O=c1cc(C2CCC2)ncn1Cc1cc(=O)n2ccsc2n1 89705206 BOSMAZJRHTYTTH-UHFFFAOYSA-N 314.370 1.629 0 40 DDAB CC1CCN(S(=O)(=O)Nc2cccc(CC(=O)O)c2)CC1 87844865 KEIXLNKWSMHIKE-UHFFFAOYSA-N 312.391 1.702 0 40 DDAB Cc1cnn(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1 328707553 LVGRMISVTFQHHD-LSDHHAIUSA-N 319.405 1.568 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)CSC)cc1C 77105371 PXJFJCFLEPRXKX-ZDUSSCGKSA-N 319.448 1.396 0 40 DDAB CC[Sn](CC)(CC(=O)OC)CC(=O)OC 195752062 KQQWYOSZOVUBDV-UHFFFAOYSA-N 322.977 1.821 0 40 DDAB CC[C@H](C(=O)O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 191415283 CGIPNNKLNKWTMQ-UKRRQHHQSA-N 304.390 1.992 0 40 DDAB CC(C)n1cc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)cn1 89582251 MWRLERVNYHMURV-LLVKDONJSA-N 302.444 1.442 0 40 DDAB Cn1ncnc1S(=O)(=O)Cc1ccc(OC(F)F)cc1 191069756 RRRLYQDRCKOKGG-UHFFFAOYSA-N 303.290 1.390 0 40 DDAB O=C(O)c1c(NC2CCC2)ncc2c1CCN([C@H]1CCOC1)C2 96189227 RXNXYTLBHGSYFY-ZDUSSCGKSA-N 317.389 1.891 0 40 DDAB CCC(=O)N1CC[C@@]2(COCc3c(C)nc(N(C)C)nc32)C1 96244455 QLXBBHPRDRXLER-INIZCTEOSA-N 304.394 1.261 0 40 DDAB Cc1nc(CN2CC[C@]3(CNC(=O)CN3CC3CC3)C2)cs1 96238270 HEJCUKGMJWLCGS-INIZCTEOSA-N 320.462 1.238 0 40 DDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)C(C)C)C1 96244456 LTHQFOVQQVVJBT-QGZVFWFLSA-N 318.421 1.507 0 40 DDAB O=C(c1cccnc1)N1CCC2(C1)CN(C(=O)c1ccco1)C2 96046462 IHWWDZWPVKJGAD-UHFFFAOYSA-N 311.341 1.663 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 96414073 SQHGDIIXSJPDFR-SECBINFHSA-N 301.268 1.283 0 40 DDAB O=C(c1ccccc1-n1ccnn1)N1CCC[C@H](n2cccn2)C1 97372654 QVVXUXMCYUAZKX-AWEZNQCLSA-N 322.372 1.941 0 40 DDAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(CC(N)=O)[C@@H]3C[C@@H]21 257219149 DFUPKZBHZJCCJA-UICACZKSSA-N 316.401 1.863 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2cccn2C)CCO1 257306356 STYWRQBWJZQIKT-GFCCVEGCSA-N 301.350 1.071 0 40 DDAB O=C(c1ncccn1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257326177 WWDFKNUQNPUFHU-GFCCVEGCSA-N 308.345 1.768 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 257295266 QXQJMUWGXZFXBN-CQSZACIVSA-N 315.377 1.095 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257252980 JXBJNMYNQDGCAN-CQSZACIVSA-N 313.361 1.211 0 40 DDAB Cc1nc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)co1 257226266 FJXSSXQNPUBEGH-BPLDGKMQSA-N 307.394 1.481 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)CCc2nc(C(C)C)no2)[C@H]1O 257201596 AIGXEDKAPDVPMM-JTNHKYCSSA-N 311.382 1.170 0 40 DDAB O=C(NCCCO)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 253370678 USGMFVJNHAVBGU-GVDBMIGSSA-N 317.433 1.579 0 40 DDAB CNc1cccc([C@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257253700 JZYFPUKDCHGXME-CQSZACIVSA-N 304.394 1.119 0 40 DDAB CN(C)CCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575403168 DYAZXVVCWIWQRZ-AWEZNQCLSA-N 319.405 1.172 0 40 DDAB O=C(Cn1cccn1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605076 HCDNABVPMTYBRJ-LLVKDONJSA-N 307.741 1.006 0 40 DDAB O=C(NCCn1cc(-c2ccncc2)cn1)C1CCOCC1 575612513 GGDHLUJQKRMOPA-UHFFFAOYSA-N 300.362 1.488 0 40 DDAB CS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 62639918 BHUCODBDKKBDRI-ZDUSSCGKSA-N 318.826 1.263 0 40 DDAB COCc1nnc2n1CCN(C(=O)C1CCSCC1)[C@H]2C 585097433 LPTZAMCCEXESGP-JTQLQIEISA-N 310.423 1.471 0 40 DDAB COCCn1cc(NC(=O)c2cn3c(n2)C[C@H](C)CC3)cn1 585141695 WZHJWKZHMPUOFT-LLVKDONJSA-N 303.366 1.561 0 40 DDAB O=S(=O)(N1CCOCC1)N1CC[C@H](c2cccc(F)c2)C1 65626627 DKYOIHCFBZUZGM-ZDUSSCGKSA-N 314.382 1.192 0 40 DDAB C[C@H](C(=O)Nc1c[nH]nc1[C@H]1CCNC1)[C@H](N)c1ccccc1 1549747050 RDKQFCAYSQTCPZ-WHOFXGATSA-N 313.405 1.761 0 40 DDAB Nc1nccnc1C(=O)N1CCN(CC2CCCCC2)CC1 50008950 SJKDFAUZWSUYMJ-UHFFFAOYSA-N 303.410 1.397 0 40 DDAB Cc1cc2oc(=O)cc(CN3CCNC(=O)C3)c2cc1Cl 57886577 WCVDYMAFXVYZCN-UHFFFAOYSA-N 306.749 1.687 0 40 DDAB C[C@H](CC(=O)N1CCCCCC1)NC[C@H]1CCCS1(=O)=O 90466012 DRLHXZJLZNIOHA-ZIAGYGMSSA-N 316.467 1.334 0 40 DDAB CNC(=O)c1cccnc1N1CCC(c2nc(C)no2)CC1 91455260 VVRXVYPLGMAKRB-UHFFFAOYSA-N 301.350 1.517 0 40 DDAB CCOC(=O)c1cnc2nc(SC)[nH]c(NC(C)=O)c-2c1=O 5837169 OAVSQZFIILPOQV-UHFFFAOYSA-N 322.346 1.127 0 40 DDAB O=C(O)CCCC(=O)N1CCN(CCc2ccccc2)CC1 17031082 BOYOIBSLJBFHTN-UHFFFAOYSA-N 304.390 1.628 0 40 DDAB C[C@@H]1CN2CCC[C@H]2CN1Cc1ccnc(N2CCCC2)n1 19575170 BBNQXGXNCUUMGX-ZBFHGGJFSA-N 301.438 1.745 0 40 DDAB COCC(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19592738 LKIVBCBADFMALA-UHFFFAOYSA-N 301.346 1.276 0 40 DDAB COC[C@@H](C)NC[C@@H](O)COc1ccc(Br)cc1 3337959 RUADYBLYKWLSEE-ZYHUDNBSSA-N 318.211 1.813 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2cc(C3CCC3)ncn2)CCO1 1889070792 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0 40 DDAB CCc1noc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1 31815597 FNOBNQJSSLRIBU-UHFFFAOYSA-N 306.322 1.256 0 40 DDAB Cc1cccc(CNC(=O)c2csc(S(N)(=O)=O)c2)c1 31979019 KMGQPFVERADHBJ-UHFFFAOYSA-N 310.400 1.634 0 40 DDAB O=C(NCCc1nccs1)C(=O)Nc1c(F)cccc1F 51850073 VDOLGSDZXKQIAK-UHFFFAOYSA-N 311.313 1.719 0 40 DDAB Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 32816295 PHRABYATWJBFIM-CQSZACIVSA-N 304.390 1.747 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCC(C(=O)OC)CC1 47077953 NXTDUDIQFYWMOF-UHFFFAOYSA-N 321.373 1.876 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H](C)n2cncn2)n1 78771191 IDXLAPQAISPFAG-GJZGRUSLSA-N 316.409 1.734 0 40 DDAB O=C(CSCc1cc2ccccc2[nH]c1=O)N1CCOCC1 78806245 QBSYLUVPWIJGPD-UHFFFAOYSA-N 318.398 1.620 0 40 DDAB O=C(CCn1cncn1)NC[C@H](c1cccs1)N1CCCC1 41952680 SGEOFTNCIDOWLN-CYBMUJFWSA-N 319.434 1.683 0 40 DDAB CC(C)C[C@@H](N[C@@H](c1ccccc1)P(=O)(O)O)C(=O)O 1590385 CZFVOVQMWGYAFW-VXGBXAGGSA-N 301.279 1.952 0 40 DDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(N)=O 79060305 FADDWMXCRPRPMA-RNCFNFMXSA-N 310.375 1.611 0 40 DDAB O=C(NCCc1ccc(F)cc1)C(=O)NCc1ccccc1 3057452 IOKUFXQUIMOVGB-UHFFFAOYSA-N 300.333 1.801 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)cc1 4017963 FWXIGLJCOHTRAR-ZDUSSCGKSA-N 306.318 1.210 0 40 DDAB CCc1ccc(NC(=O)[C@H]2CC(=O)NC(C)=C2C(=O)OC)cc1 4936867 VPMYJEFTFGCOMV-ZDUSSCGKSA-N 316.357 1.771 0 40 DDAB O=C(O)[C@H]1CS[C@H](c2ccc(O)c(Br)c2)N1 6220254 FKLBPKUONNRYRK-VXNVDRBHSA-N 304.165 1.943 0 40 DDAB C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)OC(=O)C2=COCCO2)[C@@H]1C 7655471 CFAKMWKKUOCHFS-UMSGYPCISA-N 311.378 1.747 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Cl 43146786 FZBQAZFNEIUAFU-VIFPVBQESA-N 302.783 1.896 0 40 DDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCNC(=O)C1 23787349 DZRVXUBLBGPGKF-UHFFFAOYSA-N 316.336 1.200 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccnc(N2CCOCC2)c1 25289833 FIFXSNHWLNTQGP-UHFFFAOYSA-N 316.361 1.453 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](C)C(C)C 9364094 UFQFYGWNOWDORG-SNVBAGLBSA-N 314.407 1.976 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 56967695 UKTYKOPSGQKMBR-GFCCVEGCSA-N 315.377 1.166 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cn(CCOC)c2ccccc12 57429787 OGDOHZTUAIILNZ-LBPRGKRZSA-N 317.389 1.542 0 40 DDAB CCCn1c(=O)c2sccc2n(CC(=O)N[C@H](C)CC)c1=O 57478829 DYAHYUUKIZGJSV-SNVBAGLBSA-N 323.418 1.549 0 40 DDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107263499 JZRSEHRSNNFTAO-HRCADAONSA-N 303.406 1.443 0 40 DDAB CNC(=O)c1ccc(CN(CC(N)=O)Cc2ccco2)cc1 27574153 KNLITIRQFPHTKB-UHFFFAOYSA-N 301.346 1.127 0 40 DDAB Cc1ccc(CN(C)C(=O)CN2CCCC[C@H]2C(N)=O)cc1 44867532 CJPSUNJFDFGMBE-HNNXBMFYSA-N 303.406 1.293 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)CCO2 44868354 QEWSRUCFHWFUJW-UHFFFAOYSA-N 307.375 1.176 0 40 DDAB Cn1nc(Oc2ccc(Br)cc2)c(=O)n(C)c1=O 12601140 VGMVFGDYRRNVQI-UHFFFAOYSA-N 312.123 1.034 0 40 DDAB Cc1csc(=O)n1CCC(=O)NC[C@H]1CCN(C2CC2)C1 44934321 YBTYJYRFKYHVCU-GFCCVEGCSA-N 309.435 1.209 0 40 DDAB c1ccc(-n2nnnc2CN2CCC[C@H](N3CCCC3)C2)cc1 44975492 MAVPORHLIZAXKF-INIZCTEOSA-N 312.421 1.723 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)no1 44938640 YQWRAQVIRQUUPA-VIFPVBQESA-N 313.335 1.221 0 40 DDAB Cc1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 72300462 YRQATAMZYJIQSM-MFKMUULPSA-N 324.812 1.231 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)c3ccc(C)s3)C[C@@H]21 108534992 UKRDJLUHRKKXLZ-KBPBESRZSA-N 324.446 1.618 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2cnccn2)CC1 28417482 QMHHZBVFWCSWRB-ZDUSSCGKSA-N 315.377 1.532 0 40 DDAB C[C@H]1CCCN(CCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 46035087 BNBSMVRCSATVTJ-ZDUSSCGKSA-N 324.446 1.632 0 40 DDAB CCNC(=O)c1cc(N2CCC(N3CCCC3=O)CC2)ccn1 95395765 MLCNJLDLGRDDLT-UHFFFAOYSA-N 316.405 1.423 0 40 DDAB CCc1nc(CN2CCN(C(=O)NCC(F)(F)F)CC2)no1 95398667 LJKSSUQLAOAEIS-UHFFFAOYSA-N 321.303 1.022 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CCNC(C)=O 3455870 TWUUXGBKZRWUTD-ZDUSSCGKSA-N 306.362 1.201 0 40 DDAB Cc1ncccc1C(=O)N1CCC(NC(=O)c2ccncc2)CC1 95394062 WGCYZRRXHHXDLR-UHFFFAOYSA-N 324.384 1.820 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)CCC2 3579176 QQQJTLGSGFEOFE-UHFFFAOYSA-N 320.352 1.919 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)NCc1ccco1 13039787 KGDPOFQSBNZRTR-UHFFFAOYSA-N 304.302 1.082 0 40 DDAB CCCCN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 13018154 JRXWVTZEGFHMSD-AWEZNQCLSA-N 302.378 1.365 0 40 DDAB CC1=NN(c2ccc(C(=O)/N=c3\[nH]nc4ccccn34)cc2)CC1 49681142 ZWQQOSCWCREHIP-UHFFFAOYSA-N 320.356 1.990 0 40 DDAB O=C(Nc1ncccn1)C1CCN(c2ccc3nccn3n2)CC1 95431639 DWQBZOHQFAHMEP-UHFFFAOYSA-N 323.360 1.374 0 40 DDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1F 65502293 FQFCJGZOFTXRDJ-UHFFFAOYSA-N 300.293 1.651 0 40 DDAB CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1ccccc1 408623129 DBYBAJYNPCESPF-UHFFFAOYSA-N 310.419 1.855 0 40 DDAB Cc1nc(C)n(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(C)C2)n1 95418789 XICFJXYKKVNHJI-GFCCVEGCSA-N 313.361 1.301 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccco1 5615615 PEEFTRSIEXXJAE-UHFFFAOYSA-N 324.358 1.791 0 40 DDAB CCOC(=O)[C@@]1(CCC(C)C)C[C@@H](CSC(=N)N)OC1=O 5957452 QFKWHOWLLJPQED-IINYFYTJSA-N 316.423 1.914 0 40 DDAB CC(C)CNC(=O)CSc1ccc(S(C)(=O)=O)cc1 71851049 MUKNFLDOQQMVTF-UHFFFAOYSA-N 301.433 1.954 0 40 DDAB C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O 71897381 PYTLLBKVIRTRJJ-SKDRFNHKSA-N 311.769 1.297 0 40 DDAB CCc1n[nH]c([C@H]2CN(C[C@H](O)c3ccc(F)cc3)CCO2)n1 83830111 MWINNYSGMJTBMZ-UONOGXRCSA-N 320.368 1.613 0 40 DDAB CC1CCC(N(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 69518723 JCSPEQKSHYQHIU-RUXDESIVSA-N 316.467 1.838 0 40 DDAB CC(C)Cc1nc(CN2CCC[C@@H](Cn3cncn3)C2)no1 69657776 HWJRJPGVRGHVMC-CYBMUJFWSA-N 304.398 1.772 0 40 DDAB O[C@H](COCc1ccco1)CN1CCCC[C@@H]1Cn1cccn1 69946409 WANJWSZATCRSPQ-CVEARBPZSA-N 319.405 1.908 0 40 DDAB Cc1cccc2c1CCN2C(=O)c1c[nH]c2c(cnn2C)c1=O 97080377 JVAFWMBWZFZEMK-UHFFFAOYSA-N 308.341 1.773 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCN(C)C2=O)cc1OC(F)F 72291576 ZTWDCHPEKYQOPC-SECBINFHSA-N 314.288 1.257 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 97198123 OVXFGIPAYLIZMN-ZDUSSCGKSA-N 324.388 1.526 0 40 DDAB CNC(=O)c1ccc(CNCc2c(C)nn(CCO)c2C)cc1 97159882 BEGRYUASOXEKTJ-UHFFFAOYSA-N 316.405 1.142 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cnc3ccccc3n1)CC2 97198394 NLPPTMWENAMGNY-NSHDSACASA-N 308.345 1.275 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)Cc1c[nH]c3ccccc13)CC2 97198409 LQPWSFRHYKHIHQ-CYBMUJFWSA-N 323.400 1.996 0 40 DDAB CNC(=O)COc1ccccc1CNCc1c(C)noc1C 95955446 DAZXIJCOUFQIGT-UHFFFAOYSA-N 303.362 1.706 0 40 DDAB O=C(CN(C[C@@H]1CCCO1)c1ncc(F)cn1)N1CCCC1 95974203 ONNPZZJDPOJRIA-ZDUSSCGKSA-N 308.357 1.224 0 40 DDAB COc1ccc(-c2nn(CC(N)=O)c(=O)c3ccccc23)cc1 89454013 QCCXXLKJSVSEIK-UHFFFAOYSA-N 309.325 1.557 0 40 DDAB O=C(NC[C@H](O)C1CC1)NC[C@@H]1C[C@]12CCc1ccccc12 89858016 YHEPHCFEPYZPHO-QILLFSRXSA-N 300.402 1.961 0 40 DDAB CC[C@H](CN1CCCC1)NC(=O)[C@H](C)NC(=O)c1ccoc1 76017356 JSFIIZFDUKPYRA-GXTWGEPZSA-N 307.394 1.389 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccccn3)C[C@H]2C)CC1 76055588 GFAVHBFEYDOYDL-PBHICJAKSA-N 302.422 1.066 0 40 DDAB C[C@H](CO)NC(=O)C(=O)Nc1cc(Br)ccc1F 76018250 INFGWYCIRUAWQC-ZCFIWIBFSA-N 319.130 1.024 0 40 DDAB NC(=O)CN1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 72367832 WERCYIBQQBJSGV-LLVKDONJSA-N 317.418 1.946 0 40 DDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CSCC(=O)O 36138901 YVWUPQOGDMUVFK-JTQLQIEISA-N 318.420 1.177 0 40 DDAB NC(=O)COc1cccc(CNC(=O)c2cc3ccccn3c2)c1 74095850 BBQIVYUEIKSHOY-UHFFFAOYSA-N 323.352 1.733 0 40 DDAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CNCCO2)cc1 72343424 UMIBHYIMOQRABR-OAHLLOKOSA-N 314.389 1.879 0 40 DDAB NCC(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79412533 CCIDDRCQBWFLIE-OAHLLOKOSA-N 317.389 1.347 0 40 DDAB CC[C@](C)(c1nnnn1-c1ccc(OC)cc1)N1CCOCC1 35622530 IYVQUMNNBLAASH-MRXNPFEDSA-N 317.393 1.628 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1 72341949 WLMTUVVUEKILPE-CQSZACIVSA-N 315.377 1.249 0 40 DDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218444183 DZEVCIXWBXZONC-YESZJQIVSA-N 317.410 1.625 0 40 DDAB CNC(=O)c1cn[nH]c1[C@@H]1CCCN1C(=O)c1coc(C)n1 72388658 ZTHMPAWXQKJCMC-NSHDSACASA-N 303.322 1.043 0 40 DDAB CC(C)(C)[S@@](=O)CCNC(=O)COc1ccccc1F 79001887 WDECKJZVIVITGR-HXUWFJFHSA-N 301.383 1.868 0 40 DDAB CCCn1c(C)nnc1CN1CCC[C@@H]1c1ccc(O)nn1 528791851 HEDSNRFZLQBUIL-CYBMUJFWSA-N 302.382 1.829 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NC[C@@H]1CCCO1)O2 40778652 ZSDAFQBYEYRRDA-MEDUHNTESA-N 304.346 1.380 0 40 DDAB Cc1ccc(CN(CC(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224618091 UISWXKOPSZNPDH-UHFFFAOYSA-N 312.435 1.671 0 40 DDAB CC[C@H]1CN(C)CCN1C(=O)c1ccc(S(C)(=O)=O)cc1 570715609 ZLKYUSYTCAWPQY-ZDUSSCGKSA-N 310.419 1.256 0 40 DDAB CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 225881470 JOMHFTFBXFIQKI-UHFFFAOYSA-N 320.466 1.983 0 40 DDAB COc1cncc(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)O)C2)c1 572154307 NHFAQWJWKKZHGW-ZJUUUORDSA-N 314.363 1.012 0 40 DDAB CCOC(=O)c1c(N)nc(N)c2c(OCC)nc(SC)nc12 224840821 BCDMZQJCVFGPQN-UHFFFAOYSA-N 323.378 1.487 0 40 DDAB Cc1ccc(-n2cnc(C(=O)NCCC(=O)NC(C)C)c2)cc1 226754377 LLXBZDBNGWZIGJ-UHFFFAOYSA-N 314.389 1.825 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1nnc2ccccc2n1 46088205 OSFZWMLXLKXZKB-UHFFFAOYSA-N 308.297 1.684 0 40 DDAB CN(C(=O)CCC(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O 96461173 DJLAMPJUQVVLKF-DTWKUNHWSA-N 301.330 1.753 0 40 DDAB CN1CC[C@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)C[C@H]12 96251826 AJGZEHZHXBTMOY-DLBZAZTESA-N 320.458 1.826 0 40 DDAB O=C([C@H]1CCCO1)N1CCO[C@@H]2[C@H](Cn3cccc3)CC[C@H]21 96250212 VHRHXGJNXIPNCR-ZJIFWQFVSA-N 304.390 1.673 0 40 DDAB Cn1nccc1CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 96426197 JLMBCJFNDPWTAM-ZIAGYGMSSA-N 313.357 1.611 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1)N1CCCO1 96041261 JGDOVKYGAYHFHZ-RRFJBIMHSA-N 306.362 1.423 0 40 DDAB COCCN1CCOCC12CCN(C(=O)c1ccncc1)CC2 96226168 XXWCZPUHNBORPP-UHFFFAOYSA-N 319.405 1.035 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H](CN)C2CC2)c(Cl)cc1F 96483362 VZOVTNBKGNUGFO-NSHDSACASA-N 306.790 1.803 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 252582018 YRUKHSXXKWLSDG-IACUBPJLSA-N 304.394 1.783 0 40 DDAB Cc1cc(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)on1 25797460 GKBNEEGPGMSFEQ-UHFFFAOYSA-N 319.342 1.578 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 257265675 LZUSLNNOMYQCST-OAHLLOKOSA-N 314.389 1.700 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccccc1 257257635 KQMHHPGEXLVALZ-QGZVFWFLSA-N 310.357 1.354 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2ccnc(-c3cc[nH]n3)c2)C1 257265969 MBBPMNLGQIBRDZ-LBPRGKRZSA-N 306.391 1.296 0 40 DDAB CC[C@]1(c2ccc(C)cc2)CC(=O)N(Cc2nnn(C)n2)C1=O 289344729 GJGKTOYSYBKUPQ-MRXNPFEDSA-N 313.361 1.125 0 40 DDAB Cc1nc(CN2C[C@H]3CN(C(=O)C4CC(O)C4)C[C@@H]3C2)cs1 585107591 JTTQVVHXTYCPEW-FMPXUHTOSA-N 321.446 1.113 0 40 DDAB OCc1ccc(CN2CC3(C[C@H](CO)CN3CC3CC3)C2)cc1 585093811 GYKJSKRJQPOFES-SFHVURJKSA-N 316.445 1.458 0 40 DDAB CO[C@@](C)(C(=O)Nc1nc(-c2cnn(C)c2)ns1)C1CC1 900795385 JIWWNYQBGQIKDZ-CYBMUJFWSA-N 307.379 1.692 0 40 DDAB COC[C@H](C)NC(=O)NC[C@@H](C)N1CCc2sccc2C1 65428278 ZIOMCZIRNWPCJN-NWDGAFQWSA-N 311.451 1.829 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1C(N)=O 65423817 AOMRSOXHGPYXRG-NSHDSACASA-N 319.386 1.528 0 40 DDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@@H]1CCCNC1=O 69336135 MQQGYOYDEANSER-LLVKDONJSA-N 304.394 1.524 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1cccs1)N(C)C 44891277 ZBPCMTHBTFTSHM-CYBMUJFWSA-N 321.450 1.926 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cnc2[nH]nc(C)c2c1 56119003 ZKVPTUJHQASGFK-LBPRGKRZSA-N 304.350 1.584 0 40 DDAB CCS(=O)(=O)NCCCNC(=O)NCc1ccccc1C 51677066 PQIKRSSUQCEIMU-UHFFFAOYSA-N 313.423 1.124 0 40 DDAB COc1ccccc1OCCN1C(=O)C(=O)N(C(C)C)C1=O 53308879 LIOHHQMKSVDHDZ-UHFFFAOYSA-N 306.318 1.273 0 40 DDAB C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)C[C@@H]1N1CCOCC1 76054011 HLOITPDQVPNPFJ-OCCSQVGLSA-N 321.421 1.765 0 40 DDAB O=C(Cn1cc(NC(=O)C2=CCCC2)cn1)Nc1cccnc1 97227817 MXPUYKZHDCIYAS-UHFFFAOYSA-N 311.345 1.966 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc2ccccc2c1 40487878 ARNMDUKYJKSOPN-CQSZACIVSA-N 319.386 1.597 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)NCC[C@@H]2CCCO2)cc1 40504357 BMUAOEDTJUSGPT-PPYMECGQSA-N 302.374 1.745 0 40 DDAB Cc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)o2)cc1 5862783 UGPZULBHBURRBZ-UHFFFAOYSA-N 318.358 1.689 0 40 DDAB CCc1c(C)nc(SCC(=O)Nc2cc(C)on2)[nH]c1=O 5021654 OVTFKDDSGNBMEM-UHFFFAOYSA-N 308.363 1.668 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC[C@H](O)COc1ccccc1 5603578 OKPCGPWXKRZABC-RDJZCZTQSA-N 315.369 1.712 0 40 DDAB CCSc1nnc(CNC(=O)NCc2ccccc2)n1C 5001669 CXJKRGSVYXYYPL-UHFFFAOYSA-N 305.407 1.927 0 40 DDAB Cc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 5711586 PWURQDBQWJRRNW-UHFFFAOYSA-N 318.398 1.615 0 40 DDAB CN(Cc1cccs1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 12549861 FRNUCBSGMNMOSE-CHWSQXEVSA-N 318.398 1.658 0 40 DDAB Cc1nn(C(=O)c2ccco2)c(C)c1S(=O)(=O)N1CCCC1 16976583 CPZCOBCYZYKGIV-UHFFFAOYSA-N 323.374 1.566 0 40 DDAB Cc1cc(COC(=O)Cn2cnc3c(C)cccc3c2=O)no1 18401619 JPKFDTPOBVKAPK-UHFFFAOYSA-N 313.313 1.745 0 40 DDAB COC(=O)c1cc(S(=O)(=O)Nc2onc(C)c2C)c(C)o1 163186557 ICEPQEXKKSQVQA-UHFFFAOYSA-N 314.319 1.780 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCc3cccs3)c(=O)nc2c1 164577567 WCGWVGJOQXPSEO-UHFFFAOYSA-N 315.354 1.700 0 40 DDAB NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)O 22054096 CJPMLWRZFHGSOZ-KBPBESRZSA-N 308.378 1.244 0 40 DDAB in-vitro CCOc1ccc(C(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2)cc1 4349496 HKNSHEHMWKVEFX-SNVBAGLBSA-N 318.329 1.466 0 40 DDAB CCOc1ccc(-c2noc(CNS(=O)(=O)C3CC3)n2)cn1 238827225 FASPBJVFXFXPSO-UHFFFAOYSA-N 324.362 1.112 0 40 DDAB COc1ccccc1OCC(=O)N1CC[C@@H](n2nccn2)C1 239612040 FIHMNVJJSUZZRI-GFCCVEGCSA-N 302.334 1.139 0 40 DDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(O)cc1 4717302 OUQPZOWPESVZQS-RYUDHWBXSA-N 320.374 1.614 0 40 DDAB CC(C)NC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 10221027 VCRJQXCRNOOCDY-UHFFFAOYSA-N 303.362 1.667 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@@H]2O1 2055719455 IDUSVYSTOZPKLA-ZNMIVQPWSA-N 306.406 1.629 0 40 DDAB CC(C)(C)c1ccc(N2CCN(Cc3nnco3)CC2)nn1 1775974023 VPWXQGYWBJKICM-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB O=C(Cn1ccc2ccccc21)NCCOCCn1cccn1 575619665 LSELLUBFDYPLQN-UHFFFAOYSA-N 312.373 1.671 0 40 DDAB O=C(NCCn1ncccc1=O)c1ccc(Br)o1 11856214 UWROKFMDIQODGC-UHFFFAOYSA-N 312.123 1.029 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2F)c[nH]1 20009993 RYCMLPIWBQOMQE-UHFFFAOYSA-N 302.258 1.792 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)CCc1nc(C(C)(C)C)no1 31398600 RBLDMVPARSPMJH-NSHDSACASA-N 305.382 1.701 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)COc3ccccc32)n(C)n1 40504918 QYMMWFXOXZPJKG-UHFFFAOYSA-N 300.318 1.093 0 40 DDAB COCCNC(=O)[C@@H]1CSCN1C(=O)NC1CCCCC1 40556205 RXYJMWKOZKPPSL-LBPRGKRZSA-N 315.439 1.166 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)NCCN1CCOCC1 20677226 AUWYKIXXZLVHPV-UHFFFAOYSA-N 320.418 1.304 0 40 DDAB CCc1nnsc1C(=O)NCc1nncn1-c1ccccc1 32912048 NXJLCGFRLOYFMN-UHFFFAOYSA-N 314.374 1.611 0 40 DDAB Cc1cccc(NC(=O)C2CCN([C@@H]3CCOC3=O)CC2)n1 53164014 UWBUJQHOZATYON-CYBMUJFWSA-N 303.362 1.356 0 40 DDAB COc1cccc(COCC(=O)NC[C@H](C)N2CCOCC2)c1 46745613 WXVUYADCAQONNP-AWEZNQCLSA-N 322.405 1.049 0 40 DDAB O=C(NCc1nnc2ccccn12)NC1Cc2ccccc2C1 97377176 QLFXKAJZKLPIBN-UHFFFAOYSA-N 307.357 1.696 0 40 DDAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2N)n1 414507 JADJAHZLQKXDKA-UHFFFAOYSA-N 324.344 1.570 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN2CCCC[C@H]12 46993375 VSEBCEPXQMHBAX-ZIAGYGMSSA-N 322.430 1.447 0 40 DDAB CN1C[C@@H](Nc2cc(C(F)(F)F)nc3ncnn23)CCC1=O 77992819 OBYFWOWEIGCHOV-ZETCQYMHSA-N 314.271 1.176 0 40 DDAB Cc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(C)(=O)=O)cc1 1254059 SSRSQTGLZIIQIM-LBPRGKRZSA-N 301.389 1.072 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)N[C@@]1(C(=O)O)CCSC1 95046834 AKCQRNJZEPJYAZ-ZDUSSCGKSA-N 301.314 1.584 0 40 DDAB Cn1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cn1 78993860 PLOHECFGPKCBLJ-UHFFFAOYSA-N 304.260 1.736 0 40 DDAB CCc1cnc(CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)s1 78973856 UWXRGKFXULRDLO-NSHDSACASA-N 324.450 1.545 0 40 DDAB Cn1cccc1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 78989058 DKUZPRPLUAKXRT-UHFFFAOYSA-N 319.405 1.126 0 40 DDAB C[C@@H](CO)NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 79136900 RYEVUZABZDBUJW-QWRGUYRKSA-N 304.350 1.401 0 40 DDAB Cc1nc(-c2nn3c(-c4snnc4C)nnc3s2)co1 79473799 TVLQIZPULYZKNW-UHFFFAOYSA-N 305.348 1.976 0 40 DDAB CCn1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc21 4934997 BRTITFPEWXPNJB-KPKJPENVSA-N 313.313 1.639 0 40 DDAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1N1CCOCC1 6963828 BNLLDXFJMHYNIR-JLHYYAGUSA-N 301.346 1.354 0 40 DDAB O=C(COC(=O)Cc1noc2ccccc12)NCc1ccco1 7862692 AZPOKJGUKQNNKR-UHFFFAOYSA-N 314.297 1.823 0 40 DDAB O=C(COc1ccc(F)cc1)NC1(C(F)(F)F)OCCO1 938245 CLVRAIMQOPWTCB-UHFFFAOYSA-N 309.215 1.584 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)NC1CCC(O)CC1 47633579 OIMBJAMMGNXVOO-UHFFFAOYSA-N 315.377 1.370 0 40 DDAB CSc1ncc(C(=O)N(CCO)C[C@H]2C[C@H]3C=C[C@H]2C3)cn1 100760727 CEXFAFMQRZDRSG-RWMBFGLXSA-N 319.430 1.845 0 40 DDAB CCOC(=O)C1=NN(c2ccc(C)cc2)C[C@H]1C(=O)OCC 59416372 DPVBBKKVCJFRSU-CYBMUJFWSA-N 304.346 1.913 0 40 DDAB CCCCN(CC(N)=O)CC(=O)N(C)Cc1cccc(F)c1 48048036 ZZYPTYAHRJADSE-UHFFFAOYSA-N 309.385 1.372 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@H]1COc2ccccc2C1 43508918 KDBHRYOBJLXMKI-IAQYHMDHSA-N 307.371 1.314 0 40 DDAB O=S(=O)(NCc1ccnc(N2CCCCC2)c1)N1CCCC1 48279348 NHFPSCKMFOSDAY-UHFFFAOYSA-N 324.450 1.502 0 40 DDAB Cc1ccc(CN(C(=O)Cn2cnnc2[S@@](C)=O)C2CC2)o1 71899925 ZAOUVFYYBLKHHS-QFIPXVFZSA-N 322.390 1.108 0 40 DDAB C[C@@H](O)C1CCN(CC(=O)NCCOc2ccccc2)CC1 71897291 NPZSWYZPQBCOHR-CQSZACIVSA-N 306.406 1.274 0 40 DDAB CC(C)COc1ccccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 101675337 HTZWYHQRGJQAGM-LBPRGKRZSA-N 315.333 1.691 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3ccnn3C)CC2)on1 58296300 PJKWXSZUSCYNAU-GFCCVEGCSA-N 317.393 1.923 0 40 DDAB O=C(NCc1cc[nH]n1)NC[C@@H](c1ccco1)N1CCCC1 44966494 NAFLXJLBRFYVMQ-ZDUSSCGKSA-N 303.366 1.639 0 40 DDAB CCc1ccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1 56688509 XWVNGZSQPKLYHU-UHFFFAOYSA-N 301.390 1.278 0 40 DDAB Cn1c(CN[C@@H]2CCCC[C@H]2C(C)(C)C)cc(=O)n(C)c1=O 58429412 IRQTXAUIPUGTFH-ZIAGYGMSSA-N 307.438 1.779 0 40 DDAB CC(C)CCC(=O)NCC(=O)N1CCC(N2CC=CC2)CC1 102696158 VGAFFGVAEHFZOD-UHFFFAOYSA-N 307.438 1.402 0 40 DDAB COc1ccc(NC(=O)CNC(=O)NCc2ccccc2)cn1 10742360 DBQIKSYQRVSPLM-UHFFFAOYSA-N 314.345 1.528 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](c1ccsc1)N(C)C 48313772 LXMRKXXXZJFOCU-JSGCOSHPSA-N 321.450 1.935 0 40 DDAB O=C1OCC[C@H]1Sc1nnc([C@@H]2COc3ccccc3O2)o1 48342903 RQOPAYWTRUORDR-WDEREUQCSA-N 320.326 1.990 0 40 DDAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CCCO1 28227758 LFPRNWNBHROHMA-OLZOCXBDSA-N 307.346 1.868 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1nc(Cl)ccc1Cl 3516534 HGQOKIZKWIUEHB-UHFFFAOYSA-N 320.132 1.391 0 40 DDAB COc1cccc(CN(C)c2ccc3nnnn3n2)c1OC 12908419 JIIAGYXUPFPXFX-UHFFFAOYSA-N 300.322 1.173 0 40 DDAB Cc1cc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 3605921 FDHVZELVVOSLLG-SNVBAGLBSA-N 317.794 1.331 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 4295254 XJIGKVDNTOPGND-AKWBHNSASA-N 318.398 1.552 0 40 DDAB CC(C)CNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245467 BLFRWADMAYAPGG-UHFFFAOYSA-N 313.423 1.315 0 40 DDAB COc1ccc(NC(=O)COCC(=O)Nc2cccnc2)cc1 13942173 COYFULWCYLAZLB-UHFFFAOYSA-N 315.329 1.684 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1CC(=O)N(c2ccccc2)C1 65464610 DSRJKXYSTOZVCB-KBPBESRZSA-N 324.384 1.367 0 40 DDAB CC(C)n1nccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 65591257 KPONZCHCDLVFLF-UHFFFAOYSA-N 318.381 1.187 0 40 DDAB COc1ccccc1N1CCN(C(=O)C[C@@H](C)CC(=O)O)CC1 4687713 LHTOAUKSVAOOLZ-CYBMUJFWSA-N 320.389 1.845 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)c2ccccc2C1=O 5662501 PWHKPZMQAPVHNS-RISCZKNCSA-N 300.358 1.978 0 40 DDAB COc1ccccc1O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 4988552 SBCYMPSCDLAGIO-LLVKDONJSA-N 306.362 1.186 0 40 DDAB CC(C)CNC(=O)CSc1nc2ccccc2c(=O)n1C 4937289 CSSUZFACECWOPD-UHFFFAOYSA-N 305.403 1.798 0 40 DDAB O=C(O)C[C@H]1CSCCN1C(=O)c1ccc2[nH]ncc2c1 91128262 WNNYIXRPXYUMDJ-NSHDSACASA-N 305.359 1.595 0 40 DDAB CN1CCN(C2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 19877311 CQKGPQMKNKHGDM-UHFFFAOYSA-N 317.433 1.627 0 40 DDAB COC(=O)N1CCC[C@@H](C(=O)Nc2cccnc2N(C)C)C1 69350060 LDSVKOPWOWGIMW-LLVKDONJSA-N 306.366 1.565 0 40 DDAB c1cnn(C[C@@H]2CN(c3ncnc4sccc34)CCO2)c1 69421243 ATFKHUVABRNUMX-NSHDSACASA-N 301.375 1.793 0 40 DDAB C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H](c2ccccc2)O1 71827210 LOKHYWAQSBPURB-HIFRSBDPSA-N 300.362 1.657 0 40 DDAB Nc1nc(CN2CCCC[C@@H]2Cn2cncn2)nc2ccccc12 71879627 BITNYIGKOOGXOL-CYBMUJFWSA-N 323.404 1.858 0 40 DDAB Cc1ccc(N2CCC[C@H](Nc3cc(C)nc4ncnn34)C2)nn1 71859464 DOYXFTFTJDBNQJ-ZDUSSCGKSA-N 324.392 1.612 0 40 DDAB C[C@H]1CN(Cc2nc(-c3ccoc3)no2)CCN1C[C@@H](C)O 71864644 QAFBWPAMIVUSQX-NWDGAFQWSA-N 306.366 1.217 0 40 DDAB CN(C)C(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 71853204 HWXJFTHIRILPBV-UHFFFAOYSA-N 307.369 1.062 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCCS(=O)(=O)C(F)(F)F)c1 71882216 MOZLDSZDICJQNS-UWVGGRQHSA-N 313.345 1.665 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)CSc1nnnn1C)[C@@H](C)C2 97079970 JLJKGNHRUYIKCC-IINYFYTJSA-N 317.418 1.660 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCCNc1ncccn1)C2 72279002 NSXRSTAUBOAWQC-CYBMUJFWSA-N 314.393 1.305 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)cn1 72255039 REMUTUPPCPXYSW-OAHLLOKOSA-N 322.372 1.978 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)no1 72232622 VZQBMGNLOJOZNG-QWHCGFSZSA-N 309.366 1.280 0 40 DDAB CC(=O)Nc1nc(CN[C@H]2CCc3nc(C)nn3C2)cs1 72268039 BSXIZLBHXAWUDC-JTQLQIEISA-N 306.395 1.106 0 40 DDAB Cc1nn2cccnc2c1C(=O)OCc1ccc2nn[nH]c2c1 72287039 XYCQSZRNJARZOW-UHFFFAOYSA-N 308.301 1.666 0 40 DDAB Cc1noc([C@H]2COCCN2CC(=O)N2CCC(C)CC2)n1 97109122 OQFCZHYRSQDUDM-CYBMUJFWSA-N 308.382 1.010 0 40 DDAB O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1cccnc1 97165959 DURNZZZGKLYKPU-UHFFFAOYSA-N 302.315 1.932 0 40 DDAB O=C1CC[C@@H]2CN(C(=O)C3(O)CCCC3)CC[C@@H]2N1C1CC1 95450415 HRZYKNVYJWXTSE-OCCSQVGLSA-N 306.406 1.293 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc2c(c1)CCC2 95470250 IQTFOIAOIHFREO-UHFFFAOYSA-N 312.325 1.674 0 40 DDAB CC(=O)NC[C@H]1CN(C(=O)/C(C)=C/c2ccc(F)cc2)CCO1 95407984 JFFMSZXLLLKRKG-YHVDPYDOSA-N 320.364 1.593 0 40 DDAB CCN1CCO[C@H](C(=O)N[C@@H](C)Cc2cccc(OC)c2)C1 73615779 PCNIMVIWXURQST-BBRMVZONSA-N 306.406 1.463 0 40 DDAB C[C@H](NCC(=O)N1CCc2ccccc2C1)C1CCOCC1 95985386 YKOOHNMFEQAHPC-AWEZNQCLSA-N 302.418 1.976 0 40 DDAB COc1ccc(CN(CCO)C2CCN(C)CC2)cc1OC 89375230 UBDZLMXUDZDIMT-UHFFFAOYSA-N 308.422 1.592 0 40 DDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)o1 89702342 ZLXQCKZARKCTTO-CYBMUJFWSA-N 304.398 1.126 0 40 DDAB O=C1C[C@H](C(=O)N2CCc3ccc(O)cc3C2)CN1CC1CC1 89807646 NSKPLBSLVLVJSL-HNNXBMFYSA-N 314.385 1.535 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)c2ncn(C)n2)c1C 408474316 PRNSHRKJZCTTPH-UHFFFAOYSA-N 322.390 1.167 0 40 DDAB CNC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C(C)C 32999441 OFCQYDMANXAIQS-NSHDSACASA-N 313.195 1.950 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)C1CC1 32739434 CSDBLLACMPNDLL-SWLSCSKDSA-N 324.446 1.904 0 40 DDAB O=C(O)c1cn([C@H]2CCCN(C(=O)Cc3ccsc3)C2)nn1 520234270 VXXRPIUWXNVEOW-NSHDSACASA-N 320.374 1.444 0 40 DDAB Cc1cc(C)n(Cc2cccc(C(=O)NCc3nncn3C)c2)n1 79330988 LSUVKNNDLOBIBZ-UHFFFAOYSA-N 324.388 1.607 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 72241855 OJPCSSLFMSBDNY-HOCLYGCPSA-N 320.364 1.594 0 40 DDAB Cc1cc(C)c2c(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)n[nH]c2n1 71284675 OBIMBSPRXYLZRF-VHSXEESVSA-N 302.334 1.870 0 40 DDAB CN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392853 KBSCBQHYXPBTFO-CQSZACIVSA-N 305.378 1.062 0 40 DDAB O=C(Nc1ccon1)C(=O)N1CC[C@@H](Nc2ccccc2)C1 134806101 PATKXVAAGRHBRL-GFCCVEGCSA-N 300.318 1.326 0 40 DDAB NC(=O)CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751459 LESFYCGEDJZLBV-UHFFFAOYSA-N 312.251 1.106 0 40 DDAB Cc1nc2cc(C(=O)NCCSc3ncn[nH]3)ccc2n1C 225892769 ZGIPWTQXBHMXRT-UHFFFAOYSA-N 316.390 1.522 0 40 DDAB CO[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](C2)N=C(O)N3C(C)C)C1 329187231 QBDAMCKBAVEUGJ-YJNKXOJESA-N 323.437 1.799 0 40 DDAB C[C@@H]1CN(C(=O)NCC[C@H]2CCCO2)CCN1CC(F)(F)F 195546925 YIJSQNRICBDYJU-VXGBXAGGSA-N 323.359 1.834 0 40 DDAB O=C(O)Cc1ccccc1-c1nn2c(CC(=O)O)nnc2s1 41127028 BREQNSJIUNBFQD-UHFFFAOYSA-N 318.314 1.107 0 40 DDAB N[C@H](Cc1ccc(CC(=O)O)cc1)C(=O)OCc1ccccc1 221634479 WHIFKDHRRQLKIR-MRXNPFEDSA-N 313.353 1.927 0 40 DDAB CO[C@H](C)CS(=O)(=O)NCCc1nn(C)c2ccccc12 195459112 BCFSQZQVKBOIJS-LLVKDONJSA-N 311.407 1.070 0 40 DDAB Cc1cc2n(CCNC(=O)Cc3c(C)noc3C)ccn2n1 225579134 XTMWRTRWCIZARN-UHFFFAOYSA-N 301.350 1.408 0 40 DDAB C[C@H]1CN(C(=O)NCC[C@H]2CCCO2)CCN1CC(F)(F)F 195546927 YIJSQNRICBDYJU-NWDGAFQWSA-N 323.359 1.834 0 40 DDAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2CC1CC1)c1cnccn1 96250326 DBAWANKCMMSDPU-CWRNSKLLSA-N 316.405 1.096 0 40 DDAB COC(=O)CCN1CCN(C(=O)Cc2cccs2)[C@H](C)C1 96491173 WHVBHGSFOYPNFZ-GFCCVEGCSA-N 310.419 1.386 0 40 DDAB c1ccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)nc1 96188618 VIZPRZITKYRZRF-CQSZACIVSA-N 309.377 1.202 0 40 DDAB CC[C@](Br)([C@@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521493 NLMLSJXPDDBTOS-WDEREUQCSA-N 322.224 1.848 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C(=O)O)cn2)C1 96515915 SMJDOKXVSAQAMD-LLVKDONJSA-N 307.350 1.883 0 40 DDAB CC(C)n1nc(Cn2cccc2)c2c1CN(S(C)(=O)=O)C2 96084546 BJGXXXNICYEYCB-UHFFFAOYSA-N 308.407 1.589 0 40 DDAB O=C(CO[C@H]1CCNC[C@@H]1Cc1ccccc1)N1CCCC1 96218872 DUJFQRUXTBONNP-IRXDYDNUSA-N 302.418 1.846 0 40 DDAB COc1cc(=O)n(CC(=O)N(C)C)nc1-c1ccc(Cl)cc1 96100853 YSJQAMIPLNFSCU-UHFFFAOYSA-N 321.764 1.661 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cnnn1 96412211 NUOWEMAFKSVRST-ZANVPECISA-N 309.757 1.219 0 40 DDAB CCn1ccnc1SC[C@H]1CCCN(S(C)(=O)=O)C1 96461141 KTOPOZQZKHIGAB-NSHDSACASA-N 303.453 1.667 0 40 DDAB Cc1nccc(N2CCN(CCCOCC(F)(F)F)CC2)n1 96429232 KNNKKQJLKHPYOF-UHFFFAOYSA-N 318.343 1.876 0 40 DDAB Cn1cc(CN2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)cn1 96063761 ZMCUUIINDRBPEO-DOTOQJQBSA-N 313.405 1.153 0 40 DDAB O=C(c1ccccn1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 96184457 BHDHYKRROAXQGQ-IRXDYDNUSA-N 315.417 1.797 0 40 DDAB CCC(=CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1)CC 236923916 SZPWECWXDOHADE-JKSUJKDBSA-N 321.465 1.840 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NC2CCC2)C1 96253072 VGIVZOVAYSAQHR-IJEWVQPXSA-N 319.405 1.549 0 40 DDAB NC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242538946 JIXOLIWQMNRVJR-XHSDSOJGSA-N 320.389 1.422 0 40 DDAB Cc1nc(C[C@H]2CCCN(C(=O)C3CCC3)C2)cc(C(N)=O)n1 257253470 JZBIZPQMWUEWHM-GFCCVEGCSA-N 316.405 1.465 0 40 DDAB COc1cccc(O[C@@H]2C[C@@H](N)[C@H](N3CCCCC3)[C@H]2O)c1 257258266 KTBAJXPATSTNCO-NCOADZHNSA-N 306.406 1.389 0 40 DDAB COCCNC(=O)c1sc2nccnc2c1[C@@H]1CCCNC1 257220381 DKPQJOVDNPLBLG-SNVBAGLBSA-N 320.418 1.535 0 40 DDAB CC(=O)N1CCC(c2cc(N3C[C@@H](C)OC3=O)nc(C)n2)CC1 257201809 AJDARGFCTNSGTL-SNVBAGLBSA-N 318.377 1.856 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257207556 BIHKDJBVUDKKSN-ZDUSSCGKSA-N 307.394 1.703 0 40 DDAB Cn1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 257298550 RMFGWNRWCHMOSR-RDJZCZTQSA-N 315.373 1.465 0 40 DDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)NCc2ccco2)c(C)o1 253401842 NPJZAWAWGYBGIE-AWEZNQCLSA-N 320.345 1.346 0 40 DDAB Cc1cncc(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c1 257248255 JCVMYZUNHDMKAK-BRWVUGGUSA-N 317.433 1.840 0 40 DDAB CN(C)C(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cnc[nH]1 585291944 TZTGJURYJLJBIW-WMLDXEAASA-N 320.437 1.790 0 40 DDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)c1ccccc1)CCC2 585110758 AVVUEMOGTREFKT-UHFFFAOYSA-N 324.384 1.821 0 40 DDAB CC(C)(C)c1nc(C(C)(C)NC(=O)CCN2CCCC2=O)no1 65607950 JKBGTDZDOSFQRE-UHFFFAOYSA-N 322.409 1.731 0 40 DDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)CC(C)(C)C)no1 1775964041 OYISNOYDGJQSSO-JTQLQIEISA-N 308.382 1.805 0 40 DDAB biogenic,in-vitro O=C(CNC(=O)NC1CCN(C2CC2)CC1)Nc1ccccc1 56382342 LZBMBPPNMGSRJY-UHFFFAOYSA-N 316.405 1.551 0 40 DDAB CC[C@H](O)CN(CC(=O)NC(=O)NC(C)(C)C)c1ccccc1 58331807 NFIUZOVKSFCCLP-AWEZNQCLSA-N 321.421 1.888 0 40 DDAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 40527183 YCLPOCPRNZJVHJ-LLVKDONJSA-N 320.773 1.426 0 40 DDAB CCC(C)(C)NC(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O 12182724 CWQQROSMJRUVMR-UHFFFAOYSA-N 318.377 1.699 0 40 DDAB O=C(c1cccnc1)N1CCC(n2nnc3cccnc32)CC1 12336894 YCNCFPLXMNCAKI-UHFFFAOYSA-N 308.345 1.699 0 40 DDAB Cc1cccc2c(=O)c(NC(=O)N3CCC[C@H](O)C3)c[nH]c12 13565881 ZNNCJYBCYPUFHF-NSHDSACASA-N 301.346 1.825 0 40 DDAB COc1ccccc1NC(=O)C[C@@H]1CSc2nccc(=O)n21 14031162 QEWAYZUXRQKNNR-SNVBAGLBSA-N 317.370 1.928 0 40 DDAB COc1ccccc1N1CCN(c2cn[nH]c(=O)c2Cl)CC1 18050295 JPBOSIXAPQWCHE-UHFFFAOYSA-N 320.780 1.759 0 40 DDAB O=C(NCCn1nnn(-c2cccs2)c1=O)C1CCCCC1 19345015 HTFRZCHMYLNZJM-UHFFFAOYSA-N 321.406 1.187 0 40 DDAB O=S1(=O)CCN(Cc2ncccc2Cl)[C@@H]2CCC[C@H]21 528518672 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Cc1cnc(C(=O)NCc2nc(-c3cccs3)no2)cn1 65550462 JLRIOLJWYRHMBQ-UHFFFAOYSA-N 301.331 1.827 0 40 DDAB Cc1nc(C2(NCc3nnnn3C3CC3)CCCCC2)no1 65549314 SGAJWTQLGQIHIX-UHFFFAOYSA-N 303.370 1.649 0 40 DDAB O=C(CN(C1CC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1 65552421 LUZVCTKJBVECIL-UHFFFAOYSA-N 312.366 1.257 0 40 DDAB Cc1cc(NC(=O)CN2CC[C@H](CNc3ccccn3)C2)on1 65565397 MBDMCBSQIXUZDV-CYBMUJFWSA-N 315.377 1.751 0 40 DDAB Cc1cccc(OC[C@@H](O)Cn2nnc3ccccc3c2=O)c1 14233929 GXYKQXKLPJDHJG-ZDUSSCGKSA-N 311.341 1.540 0 40 DDAB COC(=O)c1cccc(NC(=O)Cn2c(C)csc2=O)c1 9337720 QPHDJYWUOPDZIS-UHFFFAOYSA-N 306.343 1.644 0 40 DDAB C[C@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)N1C(=O)CCC1=O 68120167 IEGYXAHEPJXONQ-SNVBAGLBSA-N 312.329 1.553 0 40 DDAB C[C@@H](NC[C@@H]1CCCN(c2ncccn2)C1)c1cnn(C)c1 90973050 QQVSPBWGVITJEP-KGLIPLIRSA-N 300.410 1.777 0 40 DDAB CN1C[C@@H](NC(=O)NCC2(C)Cc3ccccc3C2)CCC1=O 94035905 TVZUNHAUWQNBPR-HNNXBMFYSA-N 315.417 1.712 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1CCCCCC1 8230272 BFUIKERWLIXGIK-UHFFFAOYSA-N 318.373 1.984 0 40 DDAB Cc1cc(CN2CCN(c3ccc4nnc(C)n4n3)CC2)no1 69376482 HVHAHMUCZINZOL-UHFFFAOYSA-N 313.365 1.051 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2 69464559 ABMPZEKEVRHQGQ-UHFFFAOYSA-N 311.267 1.656 0 40 DDAB O=C(Cn1cccnc1=O)NCCCc1ccc(Cl)cc1 69557821 HUZXIQNGTUXEKI-UHFFFAOYSA-N 305.765 1.646 0 40 DDAB Cn1ncc2c(=O)n(Cc3csc(C(C)(C)C)n3)cnc21 69527681 XINQPTCVGXLJNK-UHFFFAOYSA-N 303.391 1.932 0 40 DDAB CCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 69632565 SQQSIPLZFPOWQD-GFCCVEGCSA-N 312.366 1.702 0 40 DDAB C[C@H](N[C@@H]1CCc2ncnn2C1)c1nnc(-c2ccccc2)o1 69654132 KACPGBBVDVZYQZ-WCQYABFASA-N 310.361 1.994 0 40 DDAB CCCN1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 69661591 TZMFKRQNSYWONA-UHFFFAOYSA-N 324.446 1.996 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)CN1CC(n2cccn2)C1 71877106 ULSPWAKHNOYFSZ-KRWDZBQOSA-N 300.406 1.233 0 40 DDAB CCC[C@](C)(NCC(=O)N(C)Cc1ccccc1)C(=O)OC 69739441 KPXZYIRLABHDOX-KRWDZBQOSA-N 306.406 1.966 0 40 DDAB C[C@@H](CN1CCCCC1)NS(=O)(=O)N1CCC[C@@H](C)C1 96998319 ADYZWCOGXLBVTI-KGLIPLIRSA-N 303.472 1.427 0 40 DDAB CCOC(=O)[C@](NCc1ccccc1)(NC(C)=O)C(F)(F)F 19939199 HOXLXYGQMSDREP-ZDUSSCGKSA-N 318.295 1.734 0 40 DDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCC(=O)N1 69818142 HEIVMPLGVDXCLS-SNVBAGLBSA-N 324.764 1.049 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(-c3ccco3)no1)CC2 69820069 VITKNGGUKMWULZ-JTQLQIEISA-N 300.322 1.334 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)NCc2ccccn2)c1 69819706 SUXFTNSGLFXONW-UONOGXRCSA-N 301.394 1.442 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)NCC(=O)NC(C)(C)C)c1C 8769623 HTUXRMPVIUKGNI-UHFFFAOYSA-N 323.393 1.453 0 40 DDAB C[C@H](SCc1nc(N)nc(N)n1)C(=O)NC1CCCCCC1 8704357 VLOTXRPSPUHQKJ-VIFPVBQESA-N 324.454 1.497 0 40 DDAB CC(C)NC(=O)CN1c2cc(Cl)ccc2CS1(=O)=O 95451614 SFLGUGXLRIKISG-UHFFFAOYSA-N 302.783 1.514 0 40 DDAB CC(C)(C)c1csc(CNC(=O)[C@H]2C[C@H]2c2nc[nH]n2)n1 95465215 GMVSWYWFDIXRIN-BDAKNGLRSA-N 305.407 1.979 0 40 DDAB Cc1cc2c(cc1/C=C1/C(=O)N(C)C(=S)N1C)OCCO2 409038049 DJKOZMZFHXSKQM-XFFZJAGNSA-N 304.371 1.796 0 40 DDAB CCOc1ncccc1CNC(=O)NC[C@@H](C)N1CCCC1 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323.345 1.545 0 40 DDAB Cc1nsc(C)c1C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 570676817 AXRTZWSJNMOMAS-WDEREUQCSA-N 314.432 1.552 0 40 DDAB COCCN1CCC(NC(=O)c2ccc3nsnc3c2)CC1 85468033 QBLQJHZLDJQWTG-UHFFFAOYSA-N 320.418 1.532 0 40 DDAB Cc1ccc2c(cnn2CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 40758733 DHCPYQDGMANIMI-CYBMUJFWSA-N 321.402 1.038 0 40 DDAB C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1nccs1 41949356 XPEFLDIMOUKSBK-JTQLQIEISA-N 305.359 1.665 0 40 DDAB CO[C@H]1CO[C@@]2(CCCN(S(=O)(=O)c3cccnc3)C2)C1 96107192 UVDUFQAGFOOJNS-OCCSQVGLSA-N 312.391 1.040 0 40 DDAB CCOCC(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 96066856 UHEJLURFKIKUEH-AWEZNQCLSA-N 307.394 1.305 0 40 DDAB O=C1CCCN1[C@@H]1CCCN(c2cc(NCC3CC3)ncn2)C1 95442058 JHQQKQLSAQPOQU-CQSZACIVSA-N 315.421 1.890 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(CC3CCCC3)C[C@@H]12)N1CCOCC1 96064465 RWYZIUMIDGELAJ-BRWVUGGUSA-N 322.449 1.230 0 40 DDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 96404834 PNNADPWZZZGXII-HUUCEWRRSA-N 318.398 1.348 0 40 DDAB 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GOJSIZUGNDAIGK-JYJNAYRXSA-N 316.405 1.043 0 40 DDAB CC[C@H](C(=O)OC)N(C(=O)Cc1cnn(C)c1)c1ccccc1 96409915 AVTGKWYLPBAMOF-OAHLLOKOSA-N 315.373 1.947 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@H]3[C@H](CCCC(=O)N3C)C2)cn1 257336355 YOBCALNDBNMCRD-TZMCWYRMSA-N 302.378 1.258 0 40 DDAB COc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccncc2)C1 253473007 QYQHWNGELKKLKR-LBPRGKRZSA-N 302.334 1.117 0 40 DDAB Cc1ncc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c(C)n1 257217434 CYXFOYMGHCKOSR-BZUAXINKSA-N 318.421 1.153 0 40 DDAB CCn1cc(C(=O)N2CCNC[C@@H]2c2ccccc2OC)cn1 257207163 BGPKPSRIBWLWDU-OAHLLOKOSA-N 314.389 1.698 0 40 DDAB C[C@]1(O)CCN(C(=O)c2ncc[nH]2)C[C@@H]1Oc1ccccc1 257256219 KKNCYTJYJLWANE-BBRMVZONSA-N 301.346 1.454 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2)CCO1 25838444 JXQRZAKLFANXGK-AWEZNQCLSA-N 314.389 1.591 0 40 DDAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](O)C1 269687738 HQXGOALPSXFBOD-ZETCQYMHSA-N 313.272 1.600 0 40 DDAB CCOC(=O)[C@@H](N)Cc1ccc(I)cc1 83292042 JPGZZQSPPYTPOG-JTQLQIEISA-N 319.142 1.724 0 40 DDAB C[C@H](C(=O)O)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 263541222 CWMLIAKWGZIBLB-KWQFWETISA-N 310.737 1.060 0 40 DDAB CO[C@H]1CCCN(C(=O)/C=C/c2ccccc2)[C@H]1CCC(N)=O 585278026 OZVDXEMFHWAQOB-YQOCHDBPSA-N 316.401 1.971 0 40 DDAB O=C(c1ccncc1F)N1CCN(c2cccnc2)C(=O)C1 585150364 SDIXJPJVESOMNL-UHFFFAOYSA-N 300.293 1.105 0 40 DDAB Cc1c(C(=O)N2CC[C@]3(C(=O)O)CCC[C@@H]23)nnn1C(C)C 1550382917 YCYAOHOZTXHWCS-IAQYHMDHSA-N 306.366 1.637 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 69844177 QGGKFHCPSIFFOL-UHFFFAOYSA-N 324.446 1.350 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cccs1 35178431 IKOUHNPTDRFUOE-ZJUUUORDSA-N 310.375 1.030 0 40 DDAB C[C@@H]1COCCN1C(=O)NCCc1csc(N2CCCC2)n1 74501486 KWEFGURYYVMRAK-GFCCVEGCSA-N 324.450 1.716 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2ccc(N3CCCC3)nn2)n1 75172594 LIVVCOJTMNYPKJ-UHFFFAOYSA-N 314.393 1.320 0 40 DDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)C1CC1 85467355 TWSVEYPKNBFBJO-HNNXBMFYSA-N 304.365 1.885 0 40 DDAB COCCC(=O)N1CCCC[C@@H]1c1cc2nc(C)cc(O)n2n1 12337799 QAIAJUPLPQBPFV-CYBMUJFWSA-N 318.377 1.833 0 40 DDAB Oc1nc(-c2cnccn2)nc2c1CN(C[C@@H]1CCOC1)CC2 13268145 HHWDUTZSWZNFMI-NSHDSACASA-N 313.361 1.034 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3ON=C(c4cccnc4)[C@H]3C2=O)c(C)c1 16007052 QECXBLNTEYYVAF-GDBMZVCRSA-N 321.336 1.991 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)NCc1cccnc1 17169039 KAKROOPCCZNUAG-UHFFFAOYSA-N 313.357 1.527 0 40 DDAB COC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 104150116 KSGXXQQPLBLQBU-ZNIXKSQXSA-N 315.325 1.935 0 40 DDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3c(C)noc3C)C2)n1 390828541 RUJAYPRWZSCDED-ZDUSSCGKSA-N 316.361 1.992 0 40 DDAB c1cncc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 1204076326 URYCRAMJHJUEFM-UHFFFAOYSA-N 324.432 1.794 0 40 DDAB CCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]21 1014562641 XAIFRMXYMCVURD-YNEHKIRRSA-N 304.394 1.485 0 40 DDAB Cc1ccc(-n2ccn(C[C@@H]3CCCOC3)c(=O)c2=O)cc1F 1888867128 WACBUPQWBRXGRQ-ZDUSSCGKSA-N 318.348 1.873 0 40 DDAB Cn1ccc(CN2CC[C@H]3CN(c4ccccn4)C[C@H]32)cc1=O 1889078091 KEHCLVGDFRZSBA-JKSUJKDBSA-N 310.401 1.491 0 40 DDAB COCC(=O)N1CC[C@H](COc2cccc(C(F)(F)F)n2)C1 1889109331 OWVWKQJIPKXFLG-JTQLQIEISA-N 318.295 1.974 0 40 DDAB Nn1c(-c2ccc(C(=O)O)cc2)nnc1-c1ccc(C(=O)O)cc1 1848350174 YEGGBYRIRLOQOP-UHFFFAOYSA-N 324.296 1.722 0 40 DDAB COCCN1CCN(Cc2c(C)nn(C)c2Cl)C[C@@H]1C 106786598 ZNKSFBQCBUCKST-NSHDSACASA-N 300.834 1.534 0 40 DDAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cc[nH]n4)C[C@@H]32)o1 1565547022 JBFBZYJRDAAGLJ-NQBHXWOUSA-N 317.349 1.136 0 40 DDAB Cc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1 4359979 XQCWSUZILPSJLE-ZFWWWQNUSA-N 317.389 1.579 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NCC(C)(C)C)ncn2C1 2055715645 ACFVDXYFDLMNOH-GFCCVEGCSA-N 320.437 1.746 0 40 DDAB NC(=O)c1ccc(CNC[C@@H]2COc3ccccc3O2)s1 89866455 PTGABKXDZSERMR-SNVBAGLBSA-N 304.371 1.777 0 40 DDAB O=C(NCc1ccco1)N1CCC(c2nnc3n2CCC3)CC1 50076861 MYMZMBOXBOXQAA-UHFFFAOYSA-N 315.377 1.907 0 40 DDAB CCOC(=O)N[C@H](C(=O)Nc1cccc(NC(N)=O)c1)C(C)C 30727631 KNXVBLQUAOUXQE-LBPRGKRZSA-N 322.365 1.886 0 40 DDAB Cc1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 40496556 GVJMAQFFBNTING-YPMHNXCESA-N 308.382 1.010 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCO2)C1=O 40474259 NGVREXIQQYPUFP-STQMWFEESA-N 318.373 1.486 0 40 DDAB O[C@@H](CN1CCC([C@H](O)c2ccccc2)CC1)Cn1cccn1 51531927 CGCPYOPJRUHITB-ZWKOTPCHSA-N 315.417 1.690 0 40 DDAB CC1(C)NC(=S)N2O[C@@]3(C[C@@]21C)N(O)C(=S)NC3(C)C 499274 YDAFOEHJJGLTJA-VXGBXAGGSA-N 316.452 1.103 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccco2)CC1 47028714 RKTVOCANMRPRIQ-AWEZNQCLSA-N 317.393 1.392 0 40 DDAB COCCNC(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C 76955551 IAKFYIXDBLFXPV-LSDHHAIUSA-N 304.390 1.320 0 40 DDAB O=C(c1cccc(F)c1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788660 QEASTTZFCBARDL-ZIAGYGMSSA-N 310.344 1.636 0 40 DDAB CN(C)CCCOC(=O)C[C@](C)(O)[C@H]1CCOC(C)(C)C1 2095081 DOOPQZWBQGMYGP-BBRMVZONSA-N 301.427 1.828 0 40 DDAB biogenic CCn1c(SCC(=O)NCCOC)nnc1-c1ccncc1 3501648 XPCMFXBYCOXYGM-UHFFFAOYSA-N 321.406 1.215 0 40 DDAB COCCNC(=O)CN1C(=O)[C@@H](C(C)C)Oc2ccc(C)cc21 4970836 PCEQGWAANIIWGT-MRXNPFEDSA-N 320.389 1.508 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6864259 YEAUBYBBPXZHRN-IHRRRGAJSA-N 319.357 1.690 0 40 DDAB O=C(OCc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 84539398 VYRQGBABNSYGLP-INIZCTEOSA-N 304.390 1.977 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C(=O)OC 24273219 UWRCNNXZLQXNSS-LBPRGKRZSA-N 304.302 1.274 0 40 DDAB COC(=O)c1ccc(CNC(=O)C[C@H](C)n2ccnc2)cc1 12551744 VXFLCFJGWAFVSR-LBPRGKRZSA-N 301.346 1.937 0 40 DDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCNC1=O 12525239 LMJIHQBRINWNPX-UHFFFAOYSA-N 312.251 1.607 0 40 DDAB CCCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(C(C)=O)CC1 57445027 SDULFXCIKODAIX-HNNXBMFYSA-N 323.437 1.248 0 40 DDAB CCc1nc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cs1 111375399 UIJKDRDFHGLLQV-CMPLNLGQSA-N 319.434 1.895 0 40 DDAB Cc1cc2nc(SCC(=O)Nc3nccs3)[nH]c(=O)c2[nH]1 57522189 VFIWJUPNGSOABG-UHFFFAOYSA-N 321.387 1.747 0 40 DDAB Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)no1 44622480 PIJVGJOZGLIJHU-MRXNPFEDSA-N 315.373 1.786 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1ccc(OC)c(OC)c1 29079245 HOWMQRPUVFIZBL-UHFFFAOYSA-N 316.423 1.423 0 40 DDAB CCCn1nc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1=O 44868689 DVIOMPYSPAVVCR-CYBMUJFWSA-N 313.357 1.907 0 40 DDAB O=C(NCc1nnc2ccccn12)N(C[C@H]1CCOC1)C1CC1 48229934 OJTUCCBPNZEWFI-GFCCVEGCSA-N 315.377 1.440 0 40 DDAB COc1ccc(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cn1 44893944 NDDMTOHVNSOUEU-BZNIZROVSA-N 314.341 1.935 0 40 DDAB O=C(C[C@H]1CCCO1)NCCS(=O)(=O)Cc1ccccc1 48265489 OJUHDUKLSWGSEO-CQSZACIVSA-N 311.403 1.287 0 40 DDAB CN(C)c1ncccc1NC(=O)c1ccc(-n2cnnn2)cc1 58294558 JRSSDTODJFSTEE-UHFFFAOYSA-N 309.333 1.376 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccn(-c2ccccc2)n1 44943444 CFAFYZYMVZALSX-AWEZNQCLSA-N 314.389 1.323 0 40 DDAB CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(CCOC)n1 44918971 NUKADVSQDQWQDW-CHWSQXEVSA-N 307.394 1.588 0 40 DDAB CC1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 44968741 CSHWRTMQOAKAER-UHFFFAOYSA-N 300.366 1.604 0 40 DDAB O=C(NCCCCCO)C(=O)Nc1cccc(C(F)(F)F)c1 170325897 ZIDXPEDTWHZKHS-UHFFFAOYSA-N 318.295 1.923 0 40 DDAB c1ccc(CO[C@@H]2C[C@H]3CN(c4ncccn4)CCN3C2)cc1 107197910 HVYSMBSNGDTLNB-DLBZAZTESA-N 310.401 1.956 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CC[C@H](N2CCCC2)C1 175919561 NMGCVAGOUIGZRR-IRXDYDNUSA-N 323.481 1.476 0 40 DDAB COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)O 3325313 KMBCKRLSVPWYRV-SECBINFHSA-N 319.404 1.180 0 40 DDAB O=c1c2nnn(Cc3ccccc3)c2ncn1CCN1CCCC1 36646194 ACXHDQXRNILPSD-UHFFFAOYSA-N 324.388 1.132 0 40 DDAB CCCCC[C@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 29726521 YUJATBPRUNYLSU-LBPRGKRZSA-N 319.471 1.678 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccccc1SC 3420850 HZIQOVPHMOADEP-UHFFFAOYSA-N 310.375 1.801 0 40 DDAB Cc1ccc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)o1 3455867 UAVQSVQDLYDRKY-UHFFFAOYSA-N 311.341 1.957 0 40 DDAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1C(F)(F)F 3414202 XAWGNJWGVVZFBX-ZETCQYMHSA-N 324.328 1.221 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 3563808 RKDIAFFGWXSKHU-MEDUHNTESA-N 309.410 1.792 0 40 DDAB NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 3599386 DBKCWEQGZVMPIE-SFHVURJKSA-N 323.352 1.162 0 40 DDAB COC(=O)c1cccnc1Sc1nnnn1-c1ccccc1 8716982 YSCQZXVVEGYVPM-UHFFFAOYSA-N 313.342 1.995 0 40 DDAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1 13056269 HYIZQNVLIBMJFF-AWEZNQCLSA-N 322.430 1.051 0 40 DDAB Cc1cc(C(=O)N2CCN(C3CC3)CC2)c2c(C)noc2n1 71836717 MYSVLVUWGHCDBD-UHFFFAOYSA-N 300.362 1.760 0 40 DDAB COCCN1CC[C@H](NCc2ccccc2N2CCOCC2)C1 71886603 QYOIFQDOTDMRGP-KRWDZBQOSA-N 319.449 1.334 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 71145000 CSDQTNZLCZEEJY-MRVPVSSYSA-N 308.325 1.334 0 40 DDAB Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(O)N(C)C2=O)cc1 9053515 OZMQTEXIFZNUJQ-GFCCVEGCSA-N 315.251 1.369 0 40 DDAB CC(C)(C)c1noc(CCCC(=O)N2CCCn3ncnc32)n1 71826662 JPIOFXJODLLWDI-UHFFFAOYSA-N 318.381 1.718 0 40 DDAB CC[C@@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O 4311811 MOAARJNOMGZHCN-VIFPVBQESA-N 314.363 1.164 0 40 DDAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCO)c12 5241486 RXADZRHCHAELQD-UHFFFAOYSA-N 319.357 1.541 0 40 DDAB CC1CCN(CCNC(=O)C2CCN(C(=O)C(C)C)CC2)CC1 65415361 BPGGOIYBYUVFCT-UHFFFAOYSA-N 323.481 1.729 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CNC[C@@H](O)CN1CCCC1 65476346 HBHIMMWZOANPSI-CQSZACIVSA-N 323.485 1.156 0 40 DDAB COC(=O)Cc1ccc(OCC(=O)NCC(F)(F)F)cc1 65577737 FCPCQWOUZNRLKG-UHFFFAOYSA-N 305.252 1.459 0 40 DDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1Cl 14136262 MUEMFEGBDBTENA-VIFPVBQESA-N 307.737 1.067 0 40 DDAB CC[C@@H](NC(N)=O)C(=O)Nc1cccc(Br)c1 14180287 STPFOJHQKFAXQW-SECBINFHSA-N 300.156 1.835 0 40 DDAB COC(=O)[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(C)C 71328855 BRRQWBLTGGRKCD-CQSZACIVSA-N 320.393 1.111 0 40 DDAB CC1CCN(C[C@@H](O)Cn2cnc3sccc3c2=O)CC1 71825081 DDWNOLNQUMGCDP-GFCCVEGCSA-N 307.419 1.551 0 40 DDAB NC(=O)CN(CC(=O)NCCC1=CCCCC1)C1CCCC1 71812644 UPRGFTMAKHPLRQ-UHFFFAOYSA-N 307.438 1.723 0 40 DDAB C[S@@](=O)c1nncn1CC(=O)N[C@H](c1ccccc1)C1CC1 71899928 KLDYTLBZJOZOAI-PEBXRYMYSA-N 318.402 1.283 0 40 DDAB COc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1F 71871111 GCJJXRQIYLVCBO-CYBMUJFWSA-N 324.396 1.292 0 40 DDAB CN(C1CCN(C(=O)C[C@H]2C=CCC2)CC1)S(C)(=O)=O 68565608 SRIAQGSNJSEULO-LBPRGKRZSA-N 300.424 1.225 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 16455295 NKXYVQOIJBIRHJ-MRXNPFEDSA-N 321.352 1.461 0 40 DDAB CC(C)OCCCNC(=O)c1nn(C)c(=O)c2ccccc12 8131833 BHJMWBKYHKWNTJ-UHFFFAOYSA-N 303.362 1.478 0 40 DDAB NC(=O)C1CCN(C(=O)NCCCc2cccc(F)c2)CC1 69127970 DVFRAPUQLJYWTB-UHFFFAOYSA-N 307.369 1.665 0 40 DDAB Cc1ccc(CN(CCO)C(=O)N[C@H](C)[C@H]2CCOC2)cc1 96501676 OGTBBOFYLFTVBY-ZBFHGGJFSA-N 306.406 1.924 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@@H](c2nncn2C)C1 69370705 KQNQAOIBGFVCEE-LLVKDONJSA-N 301.350 1.239 0 40 DDAB CCS(=O)(=O)N1CCN([C@@H](C)c2ccccc2OC)CC1 69414869 IHFQQSPUUQKHCI-ZDUSSCGKSA-N 312.435 1.724 0 40 DDAB Clc1ccc2nc(CN[C@@H]3CCc4ncnn4C3)cn2c1 69589920 MOAYEPZJHDFRDA-LLVKDONJSA-N 302.769 1.684 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)COCC2CC2)CC1 69899450 VBFFERNIHWJWFW-UHFFFAOYSA-N 320.437 1.364 0 40 DDAB Cn1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)ccc1=O 95389628 YOKQKRIYABJRHI-AWEZNQCLSA-N 312.373 1.786 0 40 DDAB Cc1ccnc2c(OC[C@H](O)CN3CCOCC3)cccc12 97094863 CMWKOHMCKPAZMQ-CQSZACIVSA-N 302.374 1.615 0 40 DDAB Nc1nc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccc12 72268121 OBPSJXYIXNDDDV-CYBMUJFWSA-N 323.404 1.716 0 40 DDAB O=C(Cc1cccc(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269280 NSWLVPLACOTFJT-HZPDHXFCSA-N 322.836 1.940 0 40 DDAB CN(C)CCOc1cc(NC(=O)COCC(F)(F)F)ccn1 95448406 DNQLECFUPLVWGA-UHFFFAOYSA-N 321.299 1.539 0 40 DDAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCc3nc(C)cn3C2)o1 72313396 HHQOGKWGADMDMU-LBPRGKRZSA-N 316.361 1.165 0 40 DDAB NC(=O)c1cn[nH]c1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 95406955 XAJDUEBNQFSDPX-GUYCJALGSA-N 310.357 1.741 0 40 DDAB C[C@H](NC(=O)N(C)Cc1ncnn1C)c1ccc(F)c(F)c1 73415033 QHFHUKKXRCXKSU-VIFPVBQESA-N 309.320 1.996 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)NCCCc1ccccc1 98086524 SBOWERTZARKSAK-UHFFFAOYSA-N 314.341 1.296 0 40 DDAB C[C@H](CNS(=O)(=O)CC1CCCCC1)N1CCOCC1 95938965 PFNVKMQBHQTNIW-CYBMUJFWSA-N 304.456 1.207 0 40 DDAB CC(C)Cc1cc(C(=O)Nc2ccnc3ccnn23)cc(=O)[nH]1 95992079 GOCPTJQTMGOCNL-UHFFFAOYSA-N 311.345 1.868 0 40 DDAB Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccnc(N(C)C)n1 75092275 LSPLXOLHAOWQRC-UHFFFAOYSA-N 323.360 1.684 0 40 DDAB CCS[C@H]1CC[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1 86425780 PWVJNPOFZXVIAI-NEPJUHHUSA-N 323.466 1.740 0 40 DDAB O=C1C[C@H](C(=O)N2CCn3cccc3[C@H]2c2ccccc2)CCN1 89828148 XAYVQWFFNPQUCT-CRAIPNDOSA-N 323.396 1.946 0 40 DDAB O=C(O)CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCOc2ccccc21 89857779 AYKDYHSSFCXTKI-GXTWGEPZSA-N 319.357 1.645 0 40 DDAB CS(=O)(=O)CCN1CCN(Cc2ccc(F)cc2F)CC1 89934428 YNSULHWBYKJQOW-UHFFFAOYSA-N 318.389 1.127 0 40 DDAB c1ccc(-n2cncn2)c(CNC[C@H]2CCc3nncn3C2)c1 75605572 QUWNVMSBMSJHLM-CYBMUJFWSA-N 309.377 1.211 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306142842 XMDLJVXHFWHVFX-UONOGXRCSA-N 318.373 1.114 0 40 DDAB C[C@@H]1C[C@@H](C(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CCO1 1548597052 FYCQJGMAVIADBG-PWSUYJOCSA-N 322.361 1.894 0 40 DDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)CCn2ccnc2)o1 548026072 HNEDEKWULCKMBU-STQMWFEESA-N 308.361 1.123 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC2)cc1 408605735 NJCTWCMGFCLLBP-JTQLQIEISA-N 312.391 1.031 0 40 DDAB Cc1cc(C(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c(C)[nH]1 408127753 GUBFIADHOWPLMF-GOEBONIOSA-N 324.446 1.856 0 40 DDAB Cc1occc(=O)c1OCc1noc(C(=O)NCC2CC2)n1 32104626 AAICCCMPRMBSLS-UHFFFAOYSA-N 305.290 1.050 0 40 DDAB CCOC(=O)[C@H](N)[C@]1(N2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350471 SWNZLWUXFFBWHH-DFEHZGFQSA-N 324.465 1.794 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@@]1(CN)COC 218544746 VIEAGEMYHAWIPR-BFHYXJOUSA-N 301.383 1.318 0 40 DDAB CC1(C)OCC2(CO1)CN(C(=O)COc1ccccc1F)C2 70971709 HTNWFOUCMCQBGR-UHFFFAOYSA-N 309.337 1.816 0 40 DDAB Cc1nc(CN2CCN(C(=O)CSC(C)(C)C)CC2)no1 79001599 KYUNFSYKKBKSFD-UHFFFAOYSA-N 312.439 1.554 0 40 DDAB CCn1nnc(C)c1CN1CCN(c2ccnc(C)n2)CC1 565933107 BWGRJERHNRAXPF-UHFFFAOYSA-N 301.398 1.027 0 40 DDAB Cc1cccc(C[C@@H]2COCCN(C(=O)c3c[nH]nc3C)C2)n1 72388178 BWNDLFGGERQKNO-AWEZNQCLSA-N 314.389 1.753 0 40 DDAB COCCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 223964638 ZPBPHAXWOHQPKH-UHFFFAOYSA-N 313.419 1.889 0 40 DDAB CCOC1(C)CN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 569315482 NGTRINXGNLIOAF-ZDUSSCGKSA-N 306.410 1.443 0 40 DDAB Cn1nc(OCCC(=O)N2CCSCC2)c2ccccc21 226865057 CEHHSSGDFMNQSH-UHFFFAOYSA-N 305.403 1.918 0 40 DDAB O=C(O)C1CCN(Cc2nncn2-c2ccccc2F)CC1 85346261 SBQLAUZBQUFGMI-UHFFFAOYSA-N 304.325 1.703 0 40 DDAB O=C(CN1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1 96424601 PNEZMHVPQUJVCS-HNNXBMFYSA-N 303.406 1.279 0 40 DDAB COCC(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109327 SALWSGGPPXBGLI-WBVHZDCISA-N 304.390 1.873 0 40 DDAB COc1ccc(CCC(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)cc1 96403406 YTTWLIAXVCRKJD-CQSZACIVSA-N 316.357 1.874 0 40 DDAB CC(C)COC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccnnc2)O1 96186670 HRIBWRHCVUMRFT-PMPSAXMXSA-N 319.405 1.911 0 40 DDAB Cc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)nc1 96253172 YNMKHPDGUYQOQS-HZSPNIEDSA-N 302.378 1.001 0 40 DDAB O=C(N1CCCC1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96161651 YZULGPZGJNZOAX-GASCZTMLSA-N 300.406 1.661 0 40 DDAB COCCN1CC[C@]2(COCCN(C(=O)c3cccs3)C2)C1 96202006 BHJUZMCBEIPZTN-INIZCTEOSA-N 324.446 1.559 0 40 DDAB COCCNC(=O)N[C@H]1CC[C@H](Oc2nc(C)cc(C)n2)CC1 239593113 DPWAQSAHQKUEBO-HDJSIYSDSA-N 322.409 1.729 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(Cc2cc3cc(F)ccc3o2)C1 93530792 MAJPQRPCZYOFJM-LBPRGKRZSA-N 312.366 1.695 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccncc1 247492236 BWMFGFHLBBXASM-CABCVRRESA-N 309.435 1.026 0 40 DDAB Cn1nnc2cc(C(=O)O[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)ccc21 248032588 IKLANMQESYWBLQ-LERXQTSPSA-N 301.346 1.939 0 40 DDAB c1cnc(NC[C@@H]2CCC3(CN(C4CCOCC4)C3)OC2)nc1 248023921 GCCJGHHOGUGWRQ-AWEZNQCLSA-N 318.421 1.549 0 40 DDAB CN(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 247958020 DKCPTFTVJXLZGC-AWEZNQCLSA-N 319.405 1.030 0 40 DDAB CC(=O)N1[C@H]2CCN(Cc3cncs3)C[C@@H]2C[C@]1(C)CO 257244879 INEQSTWRVSXJIP-AEGPPILISA-N 309.435 1.337 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 257313544 UTCBOSUUUJHABO-CYBMUJFWSA-N 324.388 1.489 0 40 DDAB CC(=O)N1[C@@H]2CN(C(=O)c3cnco3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257236101 HATQIMDMMSCYDS-ZGMNHVEMSA-N 303.362 1.679 0 40 DDAB Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H](O)[C@@H]2O)ccc1Cl 257234253 GSUQAYGXLJLZPV-UMVBOHGHSA-N 313.781 1.370 0 40 DDAB O=C(O)COc1ccc(CN2CCOC[C@@H]2c2ccn[nH]2)cc1 257323304 WJNWFPSDTRNJLM-OAHLLOKOSA-N 317.345 1.447 0 40 DDAB O=C(NCC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CCN1 257315012 UZNBWIDUTQELST-MRXNPFEDSA-N 321.396 1.147 0 40 DDAB CCOCC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1 96121699 JZHPBHHYRUVTPJ-UHFFFAOYSA-N 314.389 1.975 0 40 DDAB CCN(CC(=O)OC(C)(C)C)C1CCN([C@H]2CCOC2)CC1 390834725 USPWKOSYJQIYMQ-HNNXBMFYSA-N 312.454 1.903 0 40 DDAB CC(C)CC(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575404035 LKVVNPMONGFQFF-ZDUSSCGKSA-N 305.378 1.662 0 40 DDAB Cn1ncc(C(F)(F)F)c1C(=O)N1c2ccccc2C[C@H]1CN 658932192 UNJANMBBBTXWTD-JTQLQIEISA-N 324.306 1.969 0 40 DDAB O=C(NCc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 575605161 AHJLFVJFJUWJFN-KRWDZBQOSA-N 317.433 1.987 0 40 DDAB C=CC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2cnccn2)n1 585292449 MLBNBILZQIPEFN-ZDUSSCGKSA-N 324.388 2.558 0 40 DDAB OCc1nn(CC(F)(F)F)cc1I 685936115 FUHFENVCKHFTEH-UHFFFAOYSA-N 306.025 1.542 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1CO)N2C(=O)OC(C)(C)C 953122476 FAGJVKLOERDLDU-ZJHJDGQJSA-N 314.382 1.586 0 40 DDAB O=C(Nc1ccncc1)[C@H]1COCC(=O)N1Cc1ccccc1 70641452 CLXJQJYDKGGCOR-OAHLLOKOSA-N 311.341 1.448 0 40 DDAB CN(CC(=O)NC(C)(C)C)CN1C(=O)NC2(CCCCC2)C1=O 35334189 NFFNVQBYHOPRBS-UHFFFAOYSA-N 324.425 1.045 0 40 DDAB NC(=O)C1(c2ccccc2)CCN(CCN2CCCCC2)CC1 77316343 DLXVYHZBKOHVPS-UHFFFAOYSA-N 315.461 1.991 0 40 DDAB CN(CCS(N)(=O)=O)Cc1cccc(OC(F)(F)F)c1 95414073 FYGVMDLQGGUROK-UHFFFAOYSA-N 312.313 1.306 0 40 DDAB Cc1cc(C(=O)N2CCC(N(C)c3ccccn3)CC2)nn1C 1889083722 SSNABPFBKKEZIB-UHFFFAOYSA-N 313.405 1.865 0 40 DDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccc2c(c1)OCO2 12183173 SNPISKGYBLAURH-NSHDSACASA-N 324.340 1.979 0 40 DDAB CCc1c(O)nc(SCC(=O)Nc2cccc(F)c2)[nH]c1=O 13453634 HDXXEYXKFMHNLF-UHFFFAOYSA-N 323.349 1.908 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1 17357655 VEZNJIACZQZNIW-UHFFFAOYSA-N 318.398 1.567 0 40 DDAB C[C@@H](C(=O)O)N(C)C[C@@H](O)c1ccccc1Br 819889071 KJAKVAGYEIKEOX-GZMMTYOYSA-N 302.168 1.887 0 40 DDAB Cn1ccnc(N2CCC[C@@H](COc3ccncc3)C2)c1=O 1888842922 GQCBIRKNKCZODU-CYBMUJFWSA-N 300.362 1.471 0 40 DDAB Cc1nnsc1C(=O)N1CC[C@H](COc2ccccn2)C1 1888849399 ISDKZOXRDKPZHC-NSHDSACASA-N 304.375 1.783 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 23957722 YEJKAYRFGPFNPT-OAHLLOKOSA-N 321.402 1.427 0 40 DDAB Nc1nc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)n[nH]1 7060679 QBVWXBGQKWMFNM-UHFFFAOYSA-N 308.754 1.569 0 40 DDAB CC(C)N1CCO[C@H]2CN(C(=O)CCc3ccc[nH]3)CC[C@@H]2C1 1565545080 XOFRIEZKLMQROC-WBVHZDCISA-N 319.449 1.905 0 40 DDAB O=C(C1CC(O)C1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565554442 ZXDKGLUOZUGVRH-UHFFFAOYSA-N 324.384 1.237 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCN(C)CC3)C[C@H]2C[C@@H]1O 2332242713 KJEAEILJMSPGDC-MVJTYMMSSA-N 318.465 1.530 0 40 DDAB C[C@@H]1CN(c2ccc(C(=O)NCC(F)(F)F)cn2)C[C@@H](C)O1 30040475 PEPXZKMFUWZGPV-NXEZZACHSA-N 317.311 1.987 0 40 DDAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@H]3C(N)=O)c2c1 20760959 MMRUJKBACDVEFI-UONOGXRCSA-N 317.345 1.252 0 40 DDAB biogenic O=C(Cn1cnc2ccccc2c1=O)NCCc1ccccn1 21772942 OQMHFGHTVRESEZ-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc2c(c1)OCO2 32902918 BBIAIGJFGJKSLE-NSHDSACASA-N 323.370 1.536 0 40 DDAB CCn1cc(/C=C/C(=O)NC(=S)Nc2cnn(C)c2C)cn1 2741122 MAKUIPHLISVGIJ-AATRIKPKSA-N 318.406 1.471 0 40 DDAB C[C@@H](NC(=O)N(C)CCOc1ccccc1F)c1nncn1C 46963764 QUIPALGIPDJTEZ-LLVKDONJSA-N 321.356 1.736 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1N(C)C 78897137 BYCVEAHMPWZUIT-ZFWWWQNUSA-N 317.437 1.102 0 40 DDAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)nc1 103597505 IYOGSYDMURNZGY-BETUJISGSA-N 315.373 1.894 0 40 DDAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cnccn1 22687206 LLDDJHHROSBTSM-HNNXBMFYSA-N 312.373 1.107 0 40 DDAB CCN(CC)C(=O)COC(=O)c1cc(Cl)c(N)cc1OC 3450288 PQIZPYNIPHYJDA-UHFFFAOYSA-N 314.769 1.956 0 40 DDAB Cc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O 4223164 WUQKUDDPOSWVHA-SOUVJXGZSA-N 301.390 1.723 0 40 DDAB O=C(NCCc1nnc2n1CCC2)c1ccc(-n2cccc2)cc1 54562532 KDHLWRKUWYKILX-UHFFFAOYSA-N 321.384 1.988 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CCO1 47797947 GTEAAZMLPDYAQQ-ZFWWWQNUSA-N 308.422 1.805 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136235 AUOMKDDYFLGLTE-CZUORRHYSA-N 300.402 1.922 0 40 DDAB CCOC(=O)c1cc2cc(C(=O)NCCNC(C)=O)ccc2[nH]1 24557606 KUTWYEVCXHKVSJ-UHFFFAOYSA-N 317.345 1.211 0 40 DDAB COc1cccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c1 24592413 NHEAHSUOENIKKS-UHFFFAOYSA-N 317.389 1.188 0 40 DDAB CC[C@@H](CO)NC(=O)NC1CCN(Cc2ccccc2F)CC1 57424785 ZSDZDQNDPREECZ-AWEZNQCLSA-N 323.412 1.860 0 40 DDAB CC(C)N(CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C 55291421 GKPBOUBJULFAOC-KBPBESRZSA-N 321.487 1.049 0 40 DDAB NC(=O)c1cccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 106645916 VJFCWQGVTFKRPB-SNPRPXQTSA-N 301.390 1.404 0 40 DDAB COc1ncccc1C(=O)N1CCN(C(=O)c2ccoc2)CC1 25239829 PRCBCKBAONJFEF-UHFFFAOYSA-N 315.329 1.281 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@]1(C(=O)O)CCSC1 43510123 GNKNNGJYNGHCSO-LKFCYVNXSA-N 313.350 1.670 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107263822 WDFOQLJYGOUEJE-ARFHVFGLSA-N 301.390 1.340 0 40 DDAB CN(C)c1ccc(NC(=O)NCCN2CCCCCC2=O)cn1 48091136 LMGIVDBNRVBQLS-UHFFFAOYSA-N 319.409 1.672 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 100616300 HNTUQMMOQJZMPX-UKJIMTQDSA-N 303.270 1.008 0 40 DDAB Cc1ccc(NC(=O)NCCc2ccccn2)cc1-n1cnnn1 44246735 ADRDZMVCOVBVEZ-UHFFFAOYSA-N 323.360 1.730 0 40 DDAB CC(C)C[C@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1 57617218 ZFDFDFPREFEMCU-HNNXBMFYSA-N 303.406 1.322 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 10026719 HGAAVRQKPGREOW-OAHLLOKOSA-N 321.764 1.999 0 40 DDAB Cc1csc2nc(CN3CCn4ccnc4C3)cc(=O)n12 97201042 CQERHXATVQGGAW-UHFFFAOYSA-N 301.375 1.277 0 40 DDAB CCOC(=O)c1nn(-c2ccccc2)cc1OCC(=O)NC 58215929 OSGLXMKPQFSKSZ-UHFFFAOYSA-N 303.318 1.174 0 40 DDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 44997599 WPXFCXMOYKZDTN-HIFRSBDPSA-N 307.438 1.378 0 40 DDAB COc1ccc(C2=CCN(C(=O)CCn3cncn3)CC2)cc1 48277581 PDXHTCHVLPYHEW-UHFFFAOYSA-N 312.373 1.993 0 40 DDAB C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(-n2ccnc2)cc1 44936647 AMJRYKGZOXHYJA-NWDGAFQWSA-N 321.402 1.483 0 40 DDAB CC1CCN(c2ccccc2N2C[C@H](C(N)=O)CC2=O)CC1 57328213 WLULIFXDUDQKLG-CYBMUJFWSA-N 301.390 1.761 0 40 DDAB COC[C@@H]1C[C@@H]2OCCN(C(=O)NCc3cccnc3)[C@@H]2C1 107257658 JOKXRLYJOLXPMO-ZNMIVQPWSA-N 305.378 1.417 0 40 DDAB C[C@@H]1CN(CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H](C)O1 28842659 IJTYMNYOFGZXOL-VXGBXAGGSA-N 305.378 1.223 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)Nc3nnc[nH]3)CC2=O)c(F)c1 29666959 DHBZXGWNYDPHQY-SECBINFHSA-N 303.297 1.244 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2CCCO2)cc1OC 13183644 AGWCQUPBPBZIFK-AAEUAGOBSA-N 323.345 1.515 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F 4009133 QVYBUVOFNKNWNZ-CKYFFXLPSA-N 302.252 1.497 0 40 DDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](O)c1ccccc1 9722341 CUAKVJMOKCGKOJ-CVEARBPZSA-N 310.353 1.883 0 40 DDAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cnccn1 65390695 XNBBAZLTHDYGAI-UHFFFAOYSA-N 311.267 1.732 0 40 DDAB O=C(Nc1ccccc1O)C1CCN([C@H]2CCOC2=O)CC1 14078933 CMDIEQHINSMCEC-ZDUSSCGKSA-N 304.346 1.358 0 40 DDAB Cn1c(SCCC(=O)NC(N)=O)nnc1-c1ccccc1F 14135768 QNTFRPNDOWIYFX-UHFFFAOYSA-N 323.353 1.298 0 40 DDAB CCOc1cc(CNC[C@H]2CN(C)CCO2)c2c(c1)C[C@@H](C)O2 65611348 DKPOTJFJCJANAX-DYVFJYSZSA-N 320.433 1.829 0 40 DDAB Cc1ccc(CN(C)C(=O)CSc2nc(N)cc(N)n2)cc1 6533367 ZVOCAUFTYDQCJT-UHFFFAOYSA-N 317.418 1.700 0 40 DDAB O=C(NCc1ccccc1N1CCOCC1)N1CCOCC1 65982998 FQAAKBAWYDLQKM-UHFFFAOYSA-N 305.378 1.065 0 40 DDAB CCn1c(CCNC(=O)[C@H]2COCCO2)nc2ccccc21 65928825 KGHSWZMVXLFLKS-CQSZACIVSA-N 303.362 1.130 0 40 DDAB COc1ccc(OCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 14706609 DWKGRAYFGXVNOC-INIZCTEOSA-N 314.341 1.417 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cn1 25875822 ZUXZXAQXXVDCPN-QGZVFWFLSA-N 324.340 1.502 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H](O)C1 7063724 ASODUIFYPFQKBL-GJZGRUSLSA-N 323.389 1.094 0 40 DDAB O=C1N[C@@H](c2ccc(OC(F)F)c(Cl)c2)N2CCOC[C@@H]12 93884180 FYVDQSBRUJDXID-GXSJLCMTSA-N 318.707 1.771 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccccn1 7765647 UGHFKZNTZZDBNM-KBPBESRZSA-N 315.373 1.263 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)N1CCCC1 96459034 BAMXEOBRDMKBMX-CYBMUJFWSA-N 309.435 1.668 0 40 DDAB Cc1nc(CN2CCN(C(=O)Nc3ccncc3)CC2)no1 72289179 NUDJEDOLDMYCIW-UHFFFAOYSA-N 302.338 1.123 0 40 DDAB COc1cc(CNC(=O)N[C@@H](C)C(=O)N2CCCCC2)ccn1 69348731 VDBCGDKPSGLYHT-LBPRGKRZSA-N 320.393 1.290 0 40 DDAB Cc1nnc2n1CCN(CC(=O)Nc1cc(C(C)C)no1)C2 69460131 JHTMTAAIDXRCCT-UHFFFAOYSA-N 304.354 1.152 0 40 DDAB CCc1nc2ccccc2n1CC(=O)N1CCn2c(C)nnc2C1 69453151 FANHNDGCJKAZII-UHFFFAOYSA-N 324.388 1.541 0 40 DDAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)nnn2C 71870449 SPKGDWAPGVTBCP-HZPDHXFCSA-N 313.405 1.667 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](CN(C)C)C1 69739340 JUUQRFHBBFIJLZ-ZFWWWQNUSA-N 321.421 1.444 0 40 DDAB Cc1nccn1CCCNS(=O)(=O)c1c[nH]c2ncccc12 72285254 MRFXTGQKLORRMG-UHFFFAOYSA-N 319.390 1.436 0 40 DDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CCc1ccncc1 69898324 JIWJEWJUEWCESJ-AWEZNQCLSA-N 321.446 1.784 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1noc(C2CC2)n1 69840912 AMKWBPBNTSOPLQ-KBPBESRZSA-N 304.394 1.922 0 40 DDAB COc1ccccc1CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269565 WBZKATZINUIXEL-HOTGVXAUSA-N 318.417 1.295 0 40 DDAB CC(C)N(CCCNC(=O)N(C)CC1CCC1)S(C)(=O)=O 95395146 RBSFNQHFDHBIDI-UHFFFAOYSA-N 319.471 1.488 0 40 DDAB COC(=O)CC1(NCc2ccc(F)c(OC)c2)CCN(C)CC1 95437409 WBXQUBDBJVWFQB-UHFFFAOYSA-N 324.396 1.951 0 40 DDAB COc1ccc(CNCCOC(N)=O)cc1Br 95460247 WAOKCHRLVISGPX-UHFFFAOYSA-N 303.156 1.643 0 40 DDAB CCCN1CCN(C2CCN(Cc3ncc(C)o3)CC2)CC1 95404861 RNHUFSWHVZWXIS-UHFFFAOYSA-N 306.454 1.975 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)C(=O)NC(C)(C)CC 95402483 ZAKXJJFVVVTDNF-NWANDNLSSA-N 311.470 1.916 0 40 DDAB CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]2C1 95438997 OWCNZUHGRYGYSX-DAXOMENPSA-N 315.373 1.971 0 40 DDAB Cc1nc(NC2CCN(CC(N)=O)CC2)nc(C)c1CC(C)C 95409057 DYHCFLWREICZFG-UHFFFAOYSA-N 319.453 1.654 0 40 DDAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccnnc2)cc1 95444008 GSCYVHUQBYVPPF-SNVBAGLBSA-N 313.313 1.863 0 40 DDAB COC[C@H](C)NC(=O)NC(=O)Cn1cnc2cc(C)c(C)cc21 178478819 CFVHQALGLPJHQY-LBPRGKRZSA-N 318.377 1.514 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N(C)CC2(O)CCCC2)c1CC 95973257 DLPJMKXRQRKEAH-UHFFFAOYSA-N 307.394 1.272 0 40 DDAB COCCN(C)S(=O)(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 95957599 PMYSGVODXXONSG-MJBXVCDLSA-N 304.456 1.710 0 40 DDAB O=c1[nH]nc2ccc(NCCOCc3ccc(Cl)cc3)nn12 95973728 SABKWWGLNOILAK-UHFFFAOYSA-N 319.752 1.700 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@H](O)c1ccccc1C)C1CCCC1 89689185 HFBAGNSGMZTVGU-IRXDYDNUSA-N 318.417 1.840 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2C1)c1cc2c([nH]c1=O)CCC2 89857893 RCBFIEUFPHWSNQ-GFCCVEGCSA-N 324.380 1.845 0 40 DDAB CCCCCS(=O)(=O)N1CCN([C@H]2CCCC[C@H]2O)CC1 89897375 SLLRQEONJOYYSN-LSDHHAIUSA-N 318.483 1.428 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)[C@H](C)Cc1cccs1 76089845 OPBJPMUGSYBLAH-SNVBAGLBSA-N 304.437 1.630 0 40 DDAB O=C(NOCc1ccccc1)C1CCN(C(=O)C2CC2)CC1 25283490 MLZLJBSSEUEQFU-UHFFFAOYSA-N 302.374 1.883 0 40 DDAB CN1CCN(C)[C@H](CNC(=O)NCC(C)(C)c2cccs2)C1 79349613 ZKRFSSNZAHDWSE-CYBMUJFWSA-N 324.494 1.571 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](CO)[C@@H]1c1ccc(Br)cc1 218207391 ACLWSFCSOQOKEQ-WOPDTQHZSA-N 319.220 1.958 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CC2)[C@@H]1c1ccc(Cl)cc1 72241337 RISMEKIPQKGBCI-UONOGXRCSA-N 308.765 1.517 0 40 DDAB CCc1nnc(Sc2ccc(C(=O)OC(C)C)cc2N)n1N 70462370 ANZIYZLRHUNOET-UHFFFAOYSA-N 321.406 1.853 0 40 DDAB COC(CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)OC 136773078 FAYJOPYMVQVJHF-CYBMUJFWSA-N 312.797 1.996 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1CCC(=O)N1CCOCC1 83248612 TUKPKNOPUAWHIY-OAHLLOKOSA-N 317.433 1.576 0 40 DDAB O=C(/C=C/c1ccccc1)N1CCN(CCn2ccnc2)CC1 75158007 YQBWHMPGYWIRLW-VOTSOKGWSA-N 310.401 1.741 0 40 DDAB CS(=O)(=O)c1cc(Br)ccc1/C=C/C(=O)O 44214754 DLXZVWNYPZQVRR-HWKANZROSA-N 305.149 1.950 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc21 226860542 QGTYBVRUAFUXIY-UHFFFAOYSA-N 308.359 1.181 0 40 DDAB COc1cccnc1NC(=S)NCCCN1CCOCC1 225586168 HDRWOFSJAMVAJA-UHFFFAOYSA-N 310.423 1.099 0 40 DDAB Cn1c(C(=O)OC[C@@H]2CCCN2C(N)=O)cc2ccccc21 96442213 PMXNCDAOYFLTJU-LBPRGKRZSA-N 301.346 1.878 0 40 DDAB CCc1nnc2n1C[C@@H](NCc1ccc(-n3cncn3)cc1)CC2 97199577 RLSZIUVAOOJKCT-AWEZNQCLSA-N 323.404 1.526 0 40 DDAB CS(=O)(=O)CCn1ccc(NC(=O)Cc2cccs2)n1 96420599 KMLLUWVOKKCOFF-UHFFFAOYSA-N 313.404 1.170 0 40 DDAB COc1ccc([C@H](N)c2n[nH]c(-c3cnccn3)n2)cc1OC 95533824 SNJWDSVYAJUVSH-ZDUSSCGKSA-N 312.333 1.327 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(C1CCOCC1)C2)c1ccco1 96108460 VXNYPILLDJQGFW-DYVFJYSZSA-N 320.389 1.137 0 40 DDAB CCOc1ncnc2c1CCN(C(=O)c1cscn1)CC2 96255609 WFQOBQMCYMMGBP-UHFFFAOYSA-N 304.375 1.573 0 40 DDAB CCN(CC)C[C@@H]1OC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1O 514289593 WBKHEIFHPGAQBS-QLFBSQMISA-N 310.369 1.026 0 40 DDAB biogenic,in-vitro NC[C@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 50246432 BQKYVFPETUKUIC-SECBINFHSA-N 308.325 1.675 0 40 DDAB Cn1cccc1C(=O)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96080717 RNQQSTMXTOJIIN-AAEUAGOBSA-N 315.398 1.822 0 40 DDAB COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3C)cc1 96186195 VOTQXJZKORPKLP-GJZGRUSLSA-N 302.374 1.459 0 40 DDAB COc1cc(N2CC3(C[C@@H](OCC4CC4)CS3)C2)ncn1 247921434 XRTLXKSGBYVGPO-GFCCVEGCSA-N 307.419 1.976 0 40 DDAB COc1ccccc1C(=O)NCC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 248579722 REYZTZDZGOHLKF-RKUHIEFHSA-N 314.385 1.586 0 40 DDAB Cc1cncc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257228087 FSGFPSQTLPXRFR-AWEZNQCLSA-N 308.345 1.805 0 40 DDAB Cn1nccc1-c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 257342754 ZPZWVZQUWCYLJA-CQSZACIVSA-N 306.391 1.579 0 40 DDAB O=S(=O)(N[C@H]1CCNC1)c1ccccc1OC(F)(F)F 52093464 BLOUVAHKSWSPGO-QMMMGPOBSA-N 310.297 1.225 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(N)COC 252515332 IVEIXUKTHAQUOL-JHJVBQTASA-N 303.811 1.584 0 40 DDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O 257237254 HFTNUKAQYBGZSK-HZPDHXFCSA-N 303.406 1.275 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2csc(C(C)C)c2)CCO1 257207892 BJUJPVHVRNODBB-OAHLLOKOSA-N 310.419 1.849 0 40 DDAB COc1cc(CCC(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)on1 257213454 CHQXMCCQMFRNQG-KFNAQCHYSA-N 308.378 1.768 0 40 DDAB Clc1cccnc1N1CCN(c2ccc3nncn3n2)CC1 268042756 PBTTUXZXYZOPKN-UHFFFAOYSA-N 315.768 1.499 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1F 63009427 KJKUYPDTEXEXRW-UHFFFAOYSA-N 313.310 1.665 0 40 DDAB CO[C@H](CNC(=O)C(=O)Nc1cc(C)on1)c1ccc(C)s1 96104842 OBMMYGFXQWEVFF-SNVBAGLBSA-N 323.374 1.795 0 40 DDAB O=S(=O)(c1ccc(Cl)s1)N1CCc2ncncc2C1 96122856 CJFKYNWAEWXYMD-UHFFFAOYSA-N 315.807 1.939 0 40 DDAB CN(C)C(=O)N1CCC(CNC(=O)NCc2ccccc2)CC1 390828270 ARBINPVVDKJGED-UHFFFAOYSA-N 318.421 1.879 0 40 DDAB COc1nc(CNC(=O)c2cccs2)nc(N2CCCC2)n1 575603426 GEBSCVLMVCNETP-UHFFFAOYSA-N 319.390 1.472 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@@H](C)C2 585097947 POVPOZFLNLUQCD-RYUDHWBXSA-N 324.450 1.483 0 40 DDAB CN(CCN1CCCS1(=O)=O)Cc1ccc2c[nH]nc2c1 584908342 SLCILQGCMYYAST-UHFFFAOYSA-N 308.407 1.030 0 40 DDAB Cc1nn(Cc2nc(Cc3cccc(F)c3)no2)c(=O)n1C 585090249 HFCGSJYKXNGSJZ-UHFFFAOYSA-N 303.297 1.051 0 40 DDAB COc1cc(F)c(F)cc1NC(=O)N1CCCN(C=O)CC1 585140386 CSBIPSIIUREIQQ-UHFFFAOYSA-N 313.304 1.669 0 40 DDAB OC1(CN2CC[C@](O)(COc3ccccc3)C2)CCOCC1 585277669 NUHUGOLBIDJPTA-QGZVFWFLSA-N 307.390 1.044 0 40 DDAB Cn1cnc2c1C[C@@H](COc1ncccn1)N(CC1CCC1)C2 585094955 WQDOYQGFAUVYSE-AWEZNQCLSA-N 313.405 1.816 0 40 DDAB CCCn1ccnc1CN1CCC[C@@]1(COC)CC(=O)N(C)C 585276784 JABNEPTVDYTATI-KRWDZBQOSA-N 322.453 1.752 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2ccc(F)cc2C(=O)OC)C1=O 69737882 GYSAMVHAUKLCBB-OAHLLOKOSA-N 324.308 1.069 0 40 DDAB COc1ccccc1C1(CNC(=O)Cn2cnnn2)CCCC1 53271278 KYWOSVKKFFSYFW-UHFFFAOYSA-N 315.377 1.310 0 40 DDAB Cc1[nH]ncc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 89313341 KOESIQZVHPMERE-AWEZNQCLSA-N 312.373 1.497 0 40 DDAB CC1(C)C[C@H](NC[C@H]2CCN(S(C)(=O)=O)C2)C(C)(C)O1 90796745 PUGSNVKAHJAZRE-NEPJUHHUSA-N 304.456 1.204 0 40 DDAB CO[C@H]1[C@H](CNC(=O)c2cc(F)ccc2F)COC[C@H]1OC 1615130308 PNBDLVMFFAVBDE-FZQKWOKYSA-N 315.316 1.371 0 40 DDAB CC(C)[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC(N)=O 5400294 BCKAGPIJTHSAAC-AWEZNQCLSA-N 317.345 1.473 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 5700867 KZUODDHFEGWSGU-MFKMUULPSA-N 322.336 1.422 0 40 DDAB COC(=O)[C@@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@H]1c1ccco1 5914784 GNPCSSKRAOAHCO-KKUMJFAQSA-N 315.325 1.513 0 40 DDAB biogenic CCc1nn(CC(=O)N(C)C)c(=O)c2cc3oc(C)cc3n12 12115557 CDVIBUIRQOTCEV-UHFFFAOYSA-N 302.334 1.201 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccncc1 12236498 FYHYILGSQUDMAB-NSHDSACASA-N 302.359 1.622 0 40 DDAB Cc1cc(C)c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c(C)c1 11392788 BIADFYRJPDBPAS-UHFFFAOYSA-N 316.357 1.366 0 40 DDAB O=C1CN(C2CCN(c3ncc(F)cn3)CC2)C(=O)N1C1CC1 1888843664 PQKRTGKMXUAYIX-UHFFFAOYSA-N 319.340 1.011 0 40 DDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncnc3c2CCC3)C1 1888863684 SKGDJUPZZBECIT-STQMWFEESA-N 308.385 1.751 0 40 DDAB CN(C)c1ccc(N2CCN(CCc3ccccc3)CC2)nn1 1889124903 LIPOHCWQWSJFBD-UHFFFAOYSA-N 311.433 1.907 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1 240067935 SEBDQHQTPHKLOW-ILXRZTDVSA-N 319.357 1.540 0 40 DDAB O=C(CSc1nc(O)c2cn[nH]c2n1)OCc1ccccc1 4249730 HSGCOWNJGDRSIK-UHFFFAOYSA-N 316.342 1.894 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCCO3)cc1 75156628 PECDXWZCTFOCOJ-UHFFFAOYSA-N 319.357 1.842 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccc2c(c1)OCO2 31055303 DTWYUIQHJLEVTR-LLVKDONJSA-N 302.334 1.500 0 40 DDAB CN1N=C(C(=O)NC[C@@H](c2ccsc2)N(C)C)CCC1=O 40498958 WBLDCHIVDQKVSV-LBPRGKRZSA-N 308.407 1.075 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 40598193 UGLDYBPUDIFZCW-SNVBAGLBSA-N 304.362 1.585 0 40 DDAB CC1=NN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 40527867 CWFUCVFYTNYVIU-UHFFFAOYSA-N 316.405 1.335 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O 51382169 LZWQVPFKAYNHRD-DOMZBBRYSA-N 312.316 1.965 0 40 DDAB COc1ccc(Cl)cc1CN1CCN([C@H](C)C(=O)O)CC1 51659369 OOQKXVURUUVKPP-LLVKDONJSA-N 312.797 1.939 0 40 DDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccn(C)n2)CC1=O 52528280 BFDLQMZZACENQB-OCCSQVGLSA-N 312.373 1.968 0 40 DDAB CN(C)CCNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 41231950 CMDBFKPCQUWPBP-UHFFFAOYSA-N 306.362 1.099 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 32958210 GRKRYBHEQFAYMY-TXEJJXNPSA-N 320.389 1.962 0 40 DDAB Cc1ccc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)cc1 21821545 RPFYBBJHUIBNAQ-UHFFFAOYSA-N 316.342 1.738 0 40 DDAB C[C@H](NC(=O)[C@@H](C)n1cccn1)c1ccc2c(c1)NC(=O)CO2 33174734 MWRGKGLTZULDHU-WDEREUQCSA-N 314.345 1.652 0 40 DDAB Nc1ccccc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 94598 UWIGYBHUFTYNNA-UHFFFAOYSA-N 300.270 1.918 0 40 DDAB CCCCn1nc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)ccc1=O 78895753 JXYQOZFVYIBLSG-TZMCWYRMSA-N 306.410 1.066 0 40 DDAB CCOC(=O)C(Cc1ccc(C)cc1)(NC=O)C(=O)OCC 1665483 VMMLHMLMOWLZMQ-UHFFFAOYSA-N 307.346 1.149 0 40 DDAB COCCN(CCOC)C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 2323043 JVOOYPUZPHNMON-SJORKVTESA-N 311.422 1.893 0 40 DDAB CCCn1c(SCC(=O)Nc2ccccc2F)n[nH]c1=O 6888276 QOKZRYFEVOTEAG-UHFFFAOYSA-N 310.354 1.851 0 40 DDAB O=C(CCn1ccc2ccccc21)NCc1nnc2n1CCC2 54454518 CRFDQHFWMHDEKZ-UHFFFAOYSA-N 309.373 1.886 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 7648840 DCKGCDXQNGTMGI-LBPRGKRZSA-N 317.389 1.063 0 40 DDAB Cn1cc(CCN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 72795618 LDRQXIYHBLWBEQ-GFCCVEGCSA-N 318.343 1.353 0 40 DDAB O=C(NCc1ccco1)NC1CCN(C(=O)c2ccco2)CC1 55170054 OKSASALIFPTIDS-UHFFFAOYSA-N 317.345 1.977 0 40 DDAB Cc1noc([C@H](C)OC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 24889447 GKZUCLISTHMMSS-VIFPVBQESA-N 324.358 1.841 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(CC(F)F)C2CC2)o1 106834395 UPYJCDGMHKZPAX-UHFFFAOYSA-N 308.306 1.057 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCN(c2nc(C)cs2)CC1)C(C)C 24708860 FRWVTEZRTIEWHF-CYBMUJFWSA-N 324.450 1.261 0 40 DDAB COC(=O)CNc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 55895253 VSDLQWBUPDGKNJ-RYUDHWBXSA-N 306.362 1.521 0 40 DDAB C[C@H]1CN(C(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 12524932 YDWDTABFQXFNCH-FRRDWIJNSA-N 320.389 1.894 0 40 DDAB CN(Cc1ccccc1)C(=O)CCCN1C(=O)NC(C)(C)C1=O 57727694 MHXRZYUVXGGGGR-UHFFFAOYSA-N 317.389 1.756 0 40 DDAB CC1(C)CN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CCO1 27642187 LDXONHIFPBPDGV-AWEZNQCLSA-N 315.377 1.094 0 40 DDAB CN(C)[C@H](CNC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)c1ccccc1 106711995 RYMZCSDNXOHGBH-HZSPNIEDSA-N 304.390 1.762 0 40 DDAB COc1ccc(OC)c(CC(=O)NCCCn2ccnc2)c1 22251088 QWQCBPIAUVTUCJ-UHFFFAOYSA-N 303.362 1.649 0 40 DDAB C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)[C@H](C)CO1 44909552 HOZYTLXOBGSLPZ-OLZOCXBDSA-N 315.373 1.422 0 40 DDAB CCN1C[C@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O 44911878 JZDXUEIJHUIRHI-GFCCVEGCSA-N 315.377 1.819 0 40 DDAB C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)[C@H]1CCCO1 27887637 LWOUSTPLISEQKI-ZYHUDNBSSA-N 321.402 1.532 0 40 DDAB CO[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cnnn2)cc1 58378396 AZBZWDKKARFDPB-KGLIPLIRSA-N 302.334 1.777 0 40 DDAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@@H]21 102597674 XMLLJWLJLCSFBK-JYILRKAJSA-N 314.341 1.902 0 40 DDAB COc1ccc(-c2nnc(SCC(=O)NC(N)=O)o2)cc1 3326948 AGLIXECYTIRRBX-UHFFFAOYSA-N 308.319 1.032 0 40 DDAB Cc1cnc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cn1 3318860 ABLAYOFWMRGCLW-UHFFFAOYSA-N 314.297 1.596 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCC(=O)NCCOc1cccc(Cl)c1 48343551 OQMYMFHDJTWXPN-GXFFZTMASA-N 310.781 1.607 0 40 DDAB O=C(NCCc1cccnc1)[C@@H]1CCCN(c2cnccn2)C1 29787262 YGIRMURRANJBHJ-OAHLLOKOSA-N 311.389 1.447 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CNC(=O)[C@@H]1C[C@H]1C 48368537 BSGFBFLJTSJDPJ-ZIAGYGMSSA-N 304.390 1.571 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306135844 PCMRJGXOBNTQDT-NFAWXSAZSA-N 302.374 1.734 0 40 DDAB COC(=O)c1ccc(CNS(=O)(=O)N2CCCCC2)cc1 12896911 NHRLALACKLELGV-UHFFFAOYSA-N 312.391 1.294 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NCc1nc(-c2ccccc2)no1 71283548 VIHIPJVDHQSAHX-NWDGAFQWSA-N 315.329 1.710 0 40 DDAB COc1ccc(-c2n[nH]c(=S)n2CCN2CCOCC2)cc1 13689696 WTNIFQRGBHIRLG-UHFFFAOYSA-N 320.418 1.948 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 4306681 RXLABSIVFJHQMK-SUNKGSAMSA-N 306.387 1.745 0 40 DDAB NS(=O)(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 65427699 OWGITUZYRDWLNW-ZDUSSCGKSA-N 306.391 1.102 0 40 DDAB CC[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CCO1 65591011 SJVGLWSUYCQFPU-NSHDSACASA-N 324.406 1.076 0 40 DDAB C[C@@H]1CN(c2ccc(NC(=O)c3cnccn3)cn2)C[C@@H](C)O1 65537640 FRIIZKMEOGFEPJ-VXGBXAGGSA-N 313.361 1.738 0 40 DDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1C 4581835 IGWPLOXZRUSNEY-VIFPVBQESA-N 304.302 1.742 0 40 DDAB COC(=O)c1cc(CNC(=O)c2ccc[nH]c2=O)ccc1OC 9365496 ITPAOGJNJMNYMW-UHFFFAOYSA-N 316.313 1.100 0 40 DDAB O=C(CSc1nnc[nH]1)Nc1ccc(Cl)c(C(=O)O)c1 4769869 KOJVQVLFWVZZQW-UHFFFAOYSA-N 312.738 1.887 0 40 DDAB Cn1cccc1-c1csc(NC(=O)CNC(=O)NC2CC2)n1 66395911 LFYHOJKKDHDZEO-UHFFFAOYSA-N 319.390 1.549 0 40 DDAB Cc1ncc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)n1 95464228 SIAFSEZZXCESME-UHFFFAOYSA-N 316.336 1.755 0 40 DDAB O=C1C[C@H](SC2=NCCN2)C(=O)N1c1ccc(Cl)cc1 95483172 IXFMKILIMRPKNU-JTQLQIEISA-N 309.778 1.664 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N1CCc2ccccc2C1 4966805 UXCVVXWITVZZKR-UHFFFAOYSA-N 305.341 1.861 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cs1 71796777 MHNAPVDYQVCPAR-GFCCVEGCSA-N 319.390 1.812 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](C)[C@@H]2C)c(F)c1 95457653 FWJFQUMWNYVKCQ-NEPJUHHUSA-N 300.399 1.847 0 40 DDAB CN1CCCN(CCN2C(=O)CNC2=O)c2cc(Cl)ccc21 96424577 SDGAPQFKRRHURU-UHFFFAOYSA-N 322.796 1.538 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)NCCc1nc2c(s1)CCCC2 96404012 NKROYTBUHYWGKY-CYBMUJFWSA-N 321.446 1.692 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC(=O)N(C)C1 81613667 OICDFRVFXAFIDM-GXTWGEPZSA-N 301.390 1.332 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 70021849 NXCVYIKJDRKTSA-SECBINFHSA-N 320.220 1.471 0 40 DDAB O=C(NC[C@@H](O)Cc1ccccc1)c1cccc2c1OCCO2 71856873 PXJJXGALIYIURU-AWEZNQCLSA-N 313.353 1.791 0 40 DDAB O=C(NCC[C@H]1CCCO1)c1ccccc1N1CCOCC1 69351734 RKOTUAXZUQZTLN-CQSZACIVSA-N 304.390 1.822 0 40 DDAB CC(C)(C)c1ncc(C(=O)N2CCCN(CC(N)=O)CC2)s1 71829237 ZGKZAGLDCCLPGY-UHFFFAOYSA-N 324.450 1.074 0 40 DDAB CCc1noc([C@H](C)N2CCN(C[C@@H]3CCCCO3)CC2)n1 69436323 MZLLLRUEFIBFJN-KBPBESRZSA-N 308.426 1.880 0 40 DDAB O=C(NC1CCC(C(=O)N2CCSCC2)CC1)N1CCC1 69666191 QNGYUKMGJOFICO-UHFFFAOYSA-N 311.451 1.536 0 40 DDAB Cc1c(Cl)c(CN2CCOC[C@@H]2C(N)=O)nc2ccccc12 92229566 GYRHREHMLGEHSJ-CQSZACIVSA-N 319.792 1.883 0 40 DDAB COC(=O)[C@@H]1CCCN1CC(=O)NCCc1ccc(Cl)cc1 71907761 CZTKLZSTMZJLJQ-AWEZNQCLSA-N 324.808 1.636 0 40 DDAB CC(C)CCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 73427010 XDYQRHNPNXJAAP-CYBMUJFWSA-N 310.442 1.027 0 40 DDAB COc1c([C@H]2CCCN2CC(=O)N[C@@H](C)C2CC2)c(C)nn1C 72267608 FSKNXWIOBNHRKD-SMDDNHRTSA-N 320.437 1.789 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C[C@@H](O)c3ccccc3C)CCO2)n1 84235169 LKQNGQRUKNHEIB-CABCVRRESA-N 302.378 1.528 0 40 DDAB C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)O1 97107300 CYJNURXNBYILLB-WFASDCNBSA-N 323.824 1.947 0 40 DDAB CC(C)[C@@H](C(=O)N(C)[C@@H](C)C1(C)CC1)N1CCCS1(=O)=O 95982208 NAKJVLJYZCCYQW-STQMWFEESA-N 316.467 1.694 0 40 DDAB O=C(CCc1cncc(F)c1)NCC(=O)Nc1ccccn1 95985930 SVWMRTKIPXYVST-UHFFFAOYSA-N 302.309 1.303 0 40 DDAB CCc1ccc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)cc1 89284910 ZYMFLZZHWWYVOS-OAHLLOKOSA-N 316.405 1.015 0 40 DDAB CCc1cc(=O)[nH]c(CN(C)[C@H](C(N)=O)c2cccc(F)c2)n1 89282840 RBICUXUHHOZYOF-HNNXBMFYSA-N 318.352 1.130 0 40 DDAB CC(C)N1CCC[C@@H](CNC(=O)NCCNc2ncccn2)C1 75128163 YRSCVQZXQMWERE-AWEZNQCLSA-N 320.441 1.308 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1C)c1cccs1 89937903 ZOKLFDHKZJNZLM-AAEUAGOBSA-N 309.435 1.478 0 40 DDAB C[C@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)C[C@H](C)O1 22239412 WHPDYTSMKIGCFD-RYUDHWBXSA-N 306.362 1.141 0 40 DDAB CCNC(=O)[C@@H]1CCCN(Cn2nc(C(C)(C)C)ccc2=O)C1 66793347 PXPSBKSDPDGRJR-CYBMUJFWSA-N 320.437 1.346 0 40 DDAB O=C(NCCCn1ccccc1=O)[C@H]1Cc2cc(F)ccc2O1 76963912 JXQKPIMOVIYDIU-OAHLLOKOSA-N 316.332 1.497 0 40 DDAB CC1CCC(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 32716614 PRAKPGYHQOCBJD-UHFFFAOYSA-N 324.446 1.962 0 40 DDAB CC1(C)CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@H](CO)O1 566082602 QVWLBWVSVKMPSL-LLVKDONJSA-N 305.334 1.282 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccco2)cc1 72243300 SJPJWVKISQJAFB-ZDUSSCGKSA-N 305.355 1.864 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc(-c3nc[nH]n3)cc2)[C@H]1C(=O)O 566222566 BMTQNGOHKFSNBY-MNOVXSKESA-N 300.318 1.767 0 40 DDAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(C(C)C)[C@@H]2CO)cc1 72321164 FIUUFDQNCKHFHJ-GDBMZVCRSA-N 306.362 1.314 0 40 DDAB biogenic,in-vitro Cc1ccc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)nc1 71195503 XEBMBZARPJQOFR-UHFFFAOYSA-N 313.361 1.577 0 40 DDAB CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2CN(C)CCN2C)c1 77441798 GIJWEXYUNJAFKF-CZUORRHYSA-N 320.437 1.761 0 40 DDAB CC(C)(C)c1n[nH]c(N2CCN(c3ccccc3)CC2)nc1=O 41604469 JQQPQULLIXLPPS-UHFFFAOYSA-N 313.405 1.789 0 40 DDAB CO[C@@H](C)c1cccc(NC(=O)NC[C@H]2CN(C)CCN2C)c1 77441800 GIJWEXYUNJAFKF-BBRMVZONSA-N 320.437 1.761 0 40 DDAB CC(=O)Nc1cccc(NC(=O)COc2c(C)occc2=O)c1 40287599 JRCZEQGVUVBCGL-UHFFFAOYSA-N 316.313 1.924 0 40 DDAB COc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1 564882759 NHDLFFOIMDBZAT-UHFFFAOYSA-N 307.346 1.791 0 40 DDAB CCn1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)n1 569459347 UIJZIYGPPOGRTA-UHFFFAOYSA-N 314.393 1.302 0 40 DDAB CCc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1 134007925 WDVLQQHBEPGWMO-UHFFFAOYSA-N 306.391 1.906 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2CO1 225786905 FLHIVPSSKLGCPL-CQSZACIVSA-N 322.386 1.711 0 40 DDAB CCc1nnsc1C(=O)N[C@@H]1Cc2ccccc2NC1=O 529950622 DICCGFDIIMRPHI-LLVKDONJSA-N 302.359 1.394 0 40 DDAB O=C1NC(=O)C(=C2c3ccccc3Nc3ccccc32)C(=O)N1 223812065 PZGGTBVSDGBBLC-UHFFFAOYSA-N 305.293 1.912 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccco3)C2)n1 225400413 LANMMLAXYHGWIK-LLVKDONJSA-N 302.334 1.429 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 222360807 QGPIRIBENPIUCZ-WGLLHJDHSA-N 317.385 1.726 0 40 DDAB Cc1cnc(CNC(=O)[C@H]2C[C@H]3[C@H](CCN3C(C)C)O2)cn1 96183733 WNEVTXNQVGQYGS-SOUVJXGZSA-N 304.394 1.041 0 40 DDAB Cc1nc(CN2CCCn3cnc(COCCO)c3C2)cs1 96085060 AWRZRRPNZHPVNZ-UHFFFAOYSA-N 322.434 1.563 0 40 DDAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCS(=O)(=O)CC1 96440839 QRBAULCMCFUHQY-CHWSQXEVSA-N 300.424 1.395 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccc(-n2cccn2)nc1)c1ccccc1 42697525 NKRKLDFBNQIYIS-OAHLLOKOSA-N 321.340 1.224 0 40 DDAB Cc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)N3CCC3)O[C@@H]2C1 96215371 PPCMHZLFYHSKHF-MELADBBJSA-N 321.446 1.663 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)NC(C)C)CC2 96217822 FNNNAFODUYHJJQ-MRXNPFEDSA-N 311.426 1.598 0 40 DDAB O=C(Cc1cccc(Cl)c1)NCCN1C(=O)CCCC1=O 96443770 OJBIYWAVRNXZIV-UHFFFAOYSA-N 308.765 1.538 0 40 DDAB CCCS(=O)(=O)CC(=O)N1CCN(C)c2cc(F)ccc21 96432407 FBAVFVVIBPESBR-UHFFFAOYSA-N 314.382 1.433 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3ccccn3)C2)C1 96062312 IERNRLRHNPCFLV-QGZVFWFLSA-N 305.422 1.252 0 40 DDAB Cn1c(N2CCC[C@H](NS(C)(=O)=O)C2)nc2ccccc21 97103057 GRFIXARVJOGNMS-NSHDSACASA-N 308.407 1.091 0 40 DDAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](C)O 96520188 XWSPONVRIRZGOA-UHNVWZDZSA-N 312.556 1.130 0 40 DDAB Cc1ccc(N2CC[C@]3(CN(CCO)CCC3(F)F)C2)nn1 96239822 IFDVKRZYDSCPOW-AWEZNQCLSA-N 312.364 1.315 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccncc3)C2)n1 96057630 QAPGMNYEUSJYSN-BFHYXJOUSA-N 314.345 1.560 0 40 DDAB COCCO[C@H]1CCN(C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 96200523 HQDNVSKZXYPMRE-BZSNNMDCSA-N 320.433 1.767 0 40 DDAB Fc1cccnc1O[C@@H]1CCOC2(C1)CN(c1ncccn1)C2 247497847 DNQABZNBXIBYOW-GFCCVEGCSA-N 316.336 1.828 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 257239303 HOSFNBIZLLZJLK-LBPRGKRZSA-N 320.393 1.044 0 40 DDAB O=C(CCn1ccnc1)NCc1ccnc([C@H]2CCCOC2)n1 257273425 NGNBCEQLGGITOZ-ZDUSSCGKSA-N 315.377 1.274 0 40 DDAB O=C(CC1(O)CCCCC1)N1CC[C@](O)(CN2CCCC2)C1 257220652 DLPDTWHJEFRRRR-KRWDZBQOSA-N 310.438 1.131 0 40 DDAB CO[C@H]1C[C@@H]2CN(C(=O)c3ccnc(NC(C)=O)c3)C[C@@H]2C1 257231486 GGXRMMGPONNOIZ-WDNDVIMCSA-N 303.362 1.537 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cn1 69510168 RTVONSVNIAMAAX-CABCVRRESA-N 316.405 1.140 0 40 DDAB CCCCn1cc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)c(C)n1 257330860 XQHVHPALABLGEK-LSDHHAIUSA-N 306.410 1.081 0 40 DDAB CC(=O)N1CCC(c2c(C(N)=O)sc3nccnc23)CC1 257286833 PNGQGKHALAQDRO-UHFFFAOYSA-N 304.375 1.516 0 40 DDAB Cc1cc2nc([C@H]3CCCCN3S(C)(=O)=O)cc(O)n2n1 257201643 AIKUETXCOIWRRT-LLVKDONJSA-N 310.379 1.230 0 40 DDAB O=C(NC[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1cnco1 257288291 PTPXEAAGZIAUJU-ZEQHWRKHSA-N 315.329 1.027 0 40 DDAB O=C(c1cncs1)N1CCOC[C@H]1CCc1cnccn1 257314818 UYPNLUNWENBRKV-GFCCVEGCSA-N 304.375 1.407 0 40 DDAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)C(C)C 257221827 DQRJYNNFBMBCEA-MRXNPFEDSA-N 317.433 1.144 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2C2CCN(C)CC2)n1 257233718 GQKJMQNWZYUWKM-QGZVFWFLSA-N 317.437 1.344 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)COc3ccccc3)CCO2)n1 257334555 YGKXLIPYSCCEDW-AWEZNQCLSA-N 301.346 1.697 0 40 DDAB Cc1ccc(-c2cc(NC(=O)c3ccc(=O)[nH]n3)[nH]n2)s1 69564180 XEGGHQFLGYGMGL-UHFFFAOYSA-N 301.331 1.782 0 40 DDAB COc1ccc([C@H](NC(=O)Cn2cc(C)cn2)C(=O)O)cc1F 455929593 NNYDVJOINFGLQN-AWEZNQCLSA-N 321.308 1.281 0 40 DDAB O=C(Nc1cccc2nsnc12)c1cnn2c1OCCC2 90583733 DKLSYSZEKNAPPD-UHFFFAOYSA-N 301.331 1.923 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1cc(C(=O)O)nn1 575414961 CWVMZQOQDKNVAW-JTQLQIEISA-N 310.354 1.766 0 40 DDAB CNC(=O)/C=C/CNC(=O)CCc1nc2ccc(Cl)cc2[nH]1 575617921 XWDVLXXMNFQQKU-NSCUHMNNSA-N 320.780 1.567 0 40 DDAB COc1ncccc1C(=O)NCCN(C)C(=O)OC(C)(C)C 69616064 VBFMXNDBPDMRNU-UHFFFAOYSA-N 309.366 1.687 0 40 DDAB COC(=O)[C@@H](Cc1ccccc1)NCCO[C@@H]1CCCCO1 585142356 UDVOQBDYHMAZKQ-HZPDHXFCSA-N 307.390 1.904 0 40 DDAB CCOCC(=O)N1CCC[C@@]2(CCN2Cc2c(C)noc2C)C1 585102295 WKRKCTWIZPMBPE-QGZVFWFLSA-N 321.421 1.895 0 40 DDAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1ccccn1)C2 585107237 FTMLYABBSNQAFR-PBHICJAKSA-N 301.390 1.389 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c(C)c1 585139907 UNNGOHBRRFVECP-GXTWGEPZSA-N 312.435 1.717 0 40 DDAB CN1CC[C@]2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O 585093423 VSFDBKIRAWRQFY-INIZCTEOSA-N 324.371 1.868 0 40 DDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl 27000717 MGTFEYYGUIABMT-UHFFFAOYSA-N 316.810 1.826 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 66849012 KKQDFIAUULKSFH-FZMZJTMJSA-N 323.368 1.433 0 40 DDAB CN1CCC(CN(C)CC2(CS(C)(=O)=O)CCC2)CC1 95973418 OLVCNKUSIOUJRG-UHFFFAOYSA-N 302.484 1.475 0 40 DDAB Cn1nc(C2CCN(C(=O)c3ccccn3)CC2)c2nccnc21 19289431 IDRGFIMOYXXYEN-UHFFFAOYSA-N 322.372 1.778 0 40 DDAB Cc1nc(C2CCN(C(=O)C3CCCC3)CC2)ncc1C(N)=O 19766605 NATIESBKYGLRMG-UHFFFAOYSA-N 316.405 1.780 0 40 DDAB O=C(O)Cc1ccc2c(c1)CNCC(=O)NCCCCCO2 643574833 UCUXLIVNESFKLA-UHFFFAOYSA-N 306.362 1.082 0 40 DDAB C[C@@H]1CCc2nn(CCNC(=O)C3CCCC3)c(=O)cc2C1 12232619 FDDJZFUWNNXZDU-GFCCVEGCSA-N 303.406 1.675 0 40 DDAB CCO/C=C/[C@@](O)(CNC(=O)c1ccncc1)C(F)(F)F 3186121 DLOGNMRPQWZJBT-FZKGZDJFSA-N 304.268 1.655 0 40 DDAB Cc1cccc2nc(COc3ccccc3C(N)=O)cc(=O)n12 10611144 KKPAUWOYCVUDHW-UHFFFAOYSA-N 309.325 1.681 0 40 DDAB CC(=O)OC(C)(C)C(=O)N1CC[C@H](Oc2cccc(C)n2)C1 238829962 FRDNTMRFLSNTSD-ZDUSSCGKSA-N 306.362 1.711 0 40 DDAB CC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055738707 LRVMGRQUFXWKCP-UHFFFAOYSA-N 319.380 1.897 0 40 DDAB CCOC[C@@H]1CN(Cc2cnn(CC)c2)Cc2nccn2C1 2055713249 MXDLOIUZCVAXTM-OAHLLOKOSA-N 303.410 1.768 0 40 DDAB CCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713408 LEKBGBMJORTGBV-ZDUSSCGKSA-N 318.421 1.550 0 40 DDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)n1 38720129 MXETWFISMLOWPJ-UHFFFAOYSA-N 321.768 1.303 0 40 DDAB CC(=O)NCCCNC(=O)c1cnn(-c2ccccc2F)c1C 31244272 OLQSOXRLTKDNQY-UHFFFAOYSA-N 318.352 1.576 0 40 DDAB Cc1nc(C(=O)NCCN2CCCC2)nn1-c1ccc(F)cc1 40475448 VCDFXZYGPQGULK-UHFFFAOYSA-N 317.368 1.540 0 40 DDAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1 260734 FTQWYJFAPRUITF-KGLIPLIRSA-N 324.352 1.992 0 40 DDAB COc1ccc2c(CC(=O)N3CCN(C)CC3)cc(=O)oc2c1 20797958 WGPLPOYDQCJGIH-UHFFFAOYSA-N 316.357 1.118 0 40 DDAB CCOc1ccccc1C(=O)NN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101416279 RZIKJIQGEPUNMZ-RYUDHWBXSA-N 314.341 1.681 0 40 DDAB Cc1ccc(C(=O)NCCn2cnc3ccccc3c2=O)cn1 20744933 HHFVZSXXDOQKQA-UHFFFAOYSA-N 308.341 1.530 0 40 DDAB Cn1c(S)nc2cc(C(=O)Nc3ccncc3)ccc2c1=O 102374299 WGHHGTBILPLUOB-UHFFFAOYSA-N 312.354 1.870 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 32899279 BPSNCZRPBBJPNP-NSHDSACASA-N 305.378 1.422 0 40 DDAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)/C=C/c2ccco2)C1=O 32904580 RBVGOOIKAKLZQM-LFAOLKIESA-N 315.285 1.384 0 40 DDAB CN(Cc1ncc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 41392746 YNZITUATRONUMM-ZDUSSCGKSA-N 306.387 1.961 0 40 DDAB O=C(c1ccc[nH]1)N1CCCN(c2nc(C3CC3)no2)CC1 76685836 LXNQTBMBFBIDKI-UHFFFAOYSA-N 301.350 1.628 0 40 DDAB COc1cc(C(=O)N(C)Cc2cnn(C)c2)cc2c1OCCO2 24475674 MFPMYMMOUOWSRU-UHFFFAOYSA-N 317.345 1.472 0 40 DDAB COc1ccc2c(c1)C[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O 854533 KPDIELDEQWIYKQ-RDTXWAMCSA-N 309.321 1.890 0 40 DDAB COc1cccc(OCC(=O)NCc2ccnc(OC)c2)c1 47346102 OOFCZYGGXVFDAJ-UHFFFAOYSA-N 302.330 1.794 0 40 DDAB O=C(c1cccc(F)c1)N1CCC2(CC1)NCCc1nc[nH]c12 8971189 RFRVWWPASKSOIL-UHFFFAOYSA-N 314.364 1.826 0 40 DDAB Cc1nn(CCC(=O)NCCN(C)C)c(C)c1Br 2782502 UHEBEAYAYCLJRC-UHFFFAOYSA-N 317.231 1.330 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cccc2ccccc12 3438469 FVEPGTNPJVEGNP-UHFFFAOYSA-N 300.314 1.842 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)[C@@H](C)n1cncn1)N(C)C 42474187 WPRAOMMYEUKCLZ-TZMCWYRMSA-N 317.393 1.267 0 40 DDAB COc1cc(C(=O)NCCc2cnn(C)c2)cc(OC)c1OC 42716796 BPXWMVXRTFRJPB-UHFFFAOYSA-N 319.361 1.418 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CNC(=O)c1ccccc1Cl 25047683 JRRZMJRWUFJPBM-UHFFFAOYSA-N 320.780 1.462 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 47954479 BHGOGAFDCPSNPJ-CZUORRHYSA-N 319.357 1.537 0 40 DDAB Cc1cccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1O 3292330 WHQXCMBKYOHRLL-UHFFFAOYSA-N 308.334 1.482 0 40 DDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCCO1 27394143 NFFSAGSSWOZDBU-GHMZBOCLSA-N 310.781 1.754 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1Cc1cccc2c1OCCO2 58246503 YDVKMCUTHABZNW-AWEZNQCLSA-N 302.374 1.701 0 40 DDAB c1cnn(-c2ccc(CCNC[C@@H]3CNc4ccnn4C3)cc2)c1 58316926 KTYMOXJRSHBDNH-MRXNPFEDSA-N 322.416 1.943 0 40 DDAB C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)n1cncn1 45196079 XGVPJTZSRXIUNF-HOCLYGCPSA-N 313.405 1.792 0 40 DDAB O=C(CN1CCCC1=O)NC[C@@H](c1ccco1)N1CCCC1 48234254 WDHDEKIPMSBANX-ZDUSSCGKSA-N 305.378 1.155 0 40 DDAB Cn1cc([C@H](C(=O)O)N2CCOCC2)c2ccc(C(=O)O)cc21 36358096 GOMWRHUGKUKQQM-CQSZACIVSA-N 318.329 1.334 0 40 DDAB CN1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12798970 FQEGXJRNXXDFTN-UHFFFAOYSA-N 300.288 1.285 0 40 DDAB Cc1ccc(CN(C)[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36484899 NVGPCXBGKLBYEU-ZFWWWQNUSA-N 324.446 1.119 0 40 DDAB CC(C)[C@H](C)NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 29950412 YRDOQCYMWPSWGR-JTQLQIEISA-N 323.784 1.243 0 40 DDAB CCCCn1nnnc1CSc1nnc(C(F)(F)F)n1C 48353913 NJDCMTNRMRHKEK-UHFFFAOYSA-N 321.332 1.913 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1C(=O)O 48382991 NZZYBPPWVAUCQT-UHFFFAOYSA-N 322.342 1.193 0 40 DDAB Cc1ccc(SCCNC(=O)c2ccc(=O)[nH]n2)cc1C 13006392 OQWDFHAJZRRXEZ-UHFFFAOYSA-N 303.387 1.909 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)c3ccco3)CC2)n1 39551257 VYFIMFZIFVMEGE-UHFFFAOYSA-N 304.350 1.744 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2CCCC2)c1C 5212076 VYKVUAXEHNBQAC-NSHDSACASA-N 322.361 1.586 0 40 DDAB Cc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 96765922 RHYGQNFGDNWPSP-TYVLLQCESA-N 311.362 1.830 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1 5392626 RLIBIEVQBZWRIW-UHFFFAOYSA-N 322.430 1.546 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1COc2ccccc2O1 5485076 USHCSQUKYBDITC-OAHLLOKOSA-N 323.312 1.441 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)COc2ccccc2C1=O 6669745 XOSCYOBEUZJERY-UHFFFAOYSA-N 324.336 1.995 0 40 DDAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)c2c(C)nn(C)c2n1 14898556 JAULVXWGPAESTJ-UHFFFAOYSA-N 323.356 1.936 0 40 DDAB O=C(NCc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 5894949 BHZKJRWVENPLCZ-UHFFFAOYSA-N 304.296 1.897 0 40 DDAB Cn1nnnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 6988190 QSFNOTZIBWBURF-LBPRGKRZSA-N 303.391 1.666 0 40 DDAB CCc1ccc([C@H](C)NC(=O)CN2CCC(C(N)=O)CC2)cc1 7458964 KRJBAKSVRBPPFD-ZDUSSCGKSA-N 317.433 1.624 0 40 DDAB CCN(CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)NC(C)C 7789961 NJONQPDEIFBPOB-UHFFFAOYSA-N 321.377 1.200 0 40 DDAB c1cc(CN2CCCC2)ccc1CNc1cncc2nnnn12 69161067 HUEGHLCJGGNTCA-UHFFFAOYSA-N 309.377 1.727 0 40 DDAB CC(C)[C@@H](C(=O)N1CCN(C[C@@H](C)O)CC1)N1CCCCC1 70011070 WMLVPAGTLHSEKG-CVEARBPZSA-N 311.470 1.022 0 40 DDAB CC1(C)COCCN1CC1=NS(=O)(=O)c2ccccc2N1 69492838 SBOHQNUDWDBNSJ-UHFFFAOYSA-N 309.391 1.310 0 40 DDAB CN1CCO[C@H](CNCC(=O)N(C2=CCCCC2)C2CC2)C1 69569159 OEFYWPALRVDXDS-MRXNPFEDSA-N 307.438 1.356 0 40 DDAB CCc1nc(CCNC(=O)N[C@@H](C)c2nncn2C)sc1C 69566896 BYHPDLYXOFIDNF-VIFPVBQESA-N 322.438 1.745 0 40 DDAB CC(C)(C)c1noc(CN2CCC[C@H](Cn3cncn3)C2)n1 69630355 BHGYVZVVAHJGFK-LBPRGKRZSA-N 304.398 1.871 0 40 DDAB CN1C[C@H](C(=O)NCCc2nc(C(C)(C)C)cs2)CC1=O 69744758 DDAYWVXWNFIFTN-SNVBAGLBSA-N 309.435 1.578 0 40 DDAB CN(C)C[C@H](O)Cn1cc(NC(=O)Nc2ccc(F)cc2)cn1 69780421 FYYWWFBAFUNVBH-AWEZNQCLSA-N 321.356 1.589 0 40 DDAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc2c(c1)OCO2 69812936 DBHCLXWMAVWASY-UHFFFAOYSA-N 312.285 1.723 0 40 DDAB O=C1NC(=O)C2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)N1 18117362 GOXKBAQIYNMXQN-LLVKDONJSA-N 319.748 1.217 0 40 DDAB CC[C@H](C)C(=O)N1CCC(C(=O)NC[C@H]2CCCN2CC)CC1 72272948 JKXDVJBASRSYTG-GOEBONIOSA-N 323.481 1.872 0 40 DDAB CCn1cnnc1CNC(=O)Nc1cnn(-c2ccccc2)c1 72295090 SCIJAQKPSNDYGZ-UHFFFAOYSA-N 311.349 1.805 0 40 DDAB Cc1cc[nH]c(=O)c1C(=O)N1CCC(C2CCOCC2)CC1 97235047 OKPNLHLZXXKFLC-UHFFFAOYSA-N 304.390 1.962 0 40 DDAB CC(=O)N1CC[C@H](NCc2nc3ccccc3n2C)[C@@H](C)C1 84714972 QCFJMSHAUBIYRE-JSGCOSHPSA-N 300.406 1.920 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)NCc1ncnn1C 95404506 YQAKKIWCTNOIQM-JTQLQIEISA-N 307.785 1.899 0 40 DDAB Cn1ccc(N2CCC[C@@H](NC(=O)c3ccsc3)C2=O)n1 89756671 BWCIYARFIFUVEM-LLVKDONJSA-N 304.375 1.407 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2n1 89700366 SNZVNMPETXSPNO-AWEZNQCLSA-N 314.389 1.312 0 40 DDAB Cc1nnc(CCCN2CCN(C(=O)c3ccoc3)CC2)o1 89736318 QPUYAIKHPKYUIR-UHFFFAOYSA-N 304.350 1.362 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N1CCC[C@@H](c2ccn[nH]2)C1 75582354 FAMUJHSXILCEFA-KGLIPLIRSA-N 307.394 1.701 0 40 DDAB COc1ccc(Cc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1OC 20134344 UJTLZHIMAZHOGI-UHFFFAOYSA-N 318.329 1.313 0 40 DDAB CCOC(=O)[C@H]1OC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O 306145431 FGDNMSXKFKEVQG-JTQLQIEISA-N 313.350 1.287 0 40 DDAB COc1ccc2c(c1)N(S(=O)(=O)c1ccn(C)n1)CCC2=O 556803047 KGTJREBONVCTOP-UHFFFAOYSA-N 321.358 1.210 0 40 DDAB CC(=O)N1CCCN(c2cncc(C3CCNCC3)n2)CC1 72365214 PWSQDACTKAOEEM-UHFFFAOYSA-N 303.410 1.002 0 40 DDAB CN1CCN(c2nc3ccccc3c(=N)[nH]2)C[C@@H]1c1nccn1C 530428001 RTLIYPSDYWSIBI-CQSZACIVSA-N 323.404 1.269 0 40 DDAB CCOc1ccccc1OCc1ncc(CC(=O)O)c(=O)[nH]1 217388043 LTTMQCXSPQSXLO-UHFFFAOYSA-N 304.302 1.375 0 40 DDAB CCOC(=O)N1CCN(C[C@@H]2COc3ccccc3O2)CC1 31923745 ZHWBSKUFVXEUFG-CYBMUJFWSA-N 306.362 1.601 0 40 DDAB N[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 71776347 VIOIVSHKYAEDOD-GOSISDBHSA-N 324.428 1.862 0 40 DDAB O=C1CCCN1CCNc1cccc(C[C@H]2CCCNC2)n1 72365319 VAIAPVYMBSMTID-CQSZACIVSA-N 302.422 1.658 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2ccc(Cl)nn2)CC1 72344276 KYBAIVGCADVCQB-JTQLQIEISA-N 303.815 1.734 0 40 DDAB COc1cc(-c2nn3cnnc3s2)ccc1OCC(=O)O 226298340 BQHRUWLAUBNPFF-UHFFFAOYSA-N 306.303 1.325 0 40 DDAB O=C(NCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 85466776 UGIGYLPCEWHGNV-INIZCTEOSA-N 303.406 1.285 0 40 DDAB COC(=O)CCCNC(=O)N1CCc2c(F)ccc(F)c2C1 84412612 ITXOJOHBIZHDFW-UHFFFAOYSA-N 312.316 1.986 0 40 DDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1cccs1)C2 96058891 ZNAOHALFZUTGCE-UHFFFAOYSA-N 317.418 1.478 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)N3CCCC3)C2)C1=O 96223935 LPWMUAWEWCTONC-INIZCTEOSA-N 309.410 1.163 0 40 DDAB Cc1cc(NC(=O)CN2CCOC[C@@H]2c2cccn2C)n(C)n1 97379659 MGUPEOXAQFHPGC-CQSZACIVSA-N 317.393 1.079 0 40 DDAB Cc1noc(-c2ccnc(N3CCC[C@@H]3C(=O)N(C)C)c2)n1 96453291 KKTNJTJIVFHCIR-GFCCVEGCSA-N 301.350 1.497 0 40 DDAB CN1CC[C@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)C1 96201924 YYRVZWFNAUHELQ-KRWDZBQOSA-N 306.381 1.549 0 40 DDAB COCCCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 96485693 CJCZDOUZAJQUGU-UHFFFAOYSA-N 316.405 1.634 0 40 DDAB COC(=O)[C@](C)(NC(=O)Cc1c[nH]c2ncccc12)C1CC1 96461967 ZXWXFNYUUAQKRQ-MRXNPFEDSA-N 301.346 1.563 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCC[C@H]2C[C@@H](C)O)c1 96487118 JMGCJBMCZZRPFZ-HIFRSBDPSA-N 304.390 1.487 0 40 DDAB O=C1[C@@H]2CN(Cc3ccccn3)C[C@H]2CCN1c1cncnc1 96249135 ZFUHVOOJYIJODY-CZUORRHYSA-N 309.373 1.357 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N=c1nc[nH]n1C(C)(C)C 332140609 JFFWRWQQUKPYAU-GXFFZTMASA-N 316.361 1.622 0 40 DDAB Cn1cc(CNC(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cn1 96450957 UFIVOAFNBCQCEZ-IMJJTQAJSA-N 317.437 1.436 0 40 DDAB Cc1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2[nH]1 96517746 WSUOISBCYLMGOV-UHFFFAOYSA-N 318.381 1.718 0 40 DDAB COc1ccccc1CN1C[C@H]2OCCN(C(C)=O)C[C@H]2C1 96108063 KRWNWCQDIKLTHU-NVXWUHKLSA-N 304.390 1.374 0 40 DDAB CN1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 96185590 WGCIXOBPZMJUBI-VYDXJSESSA-N 316.449 1.645 0 40 DDAB O=S(=O)(NC[C@@](O)(c1ccoc1)c1cccs1)C1CC1 253471111 BGHCKDCFXAYFGO-CYBMUJFWSA-N 313.400 1.659 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC(c2cnccn2)CC1 257204984 AXCVSBOLTZNDOS-UHFFFAOYSA-N 322.372 1.628 0 40 DDAB CN1CCC[C@@H]1c1cncc(C(=O)NCCN2CCCCC2)n1 257277487 NYDOIVUQJIVAPM-MRXNPFEDSA-N 317.437 1.459 0 40 DDAB Cc1cnc(C(=O)N2C[C@H]3CC[C@H](Cc4cnccn4)[C@H]3C2)cn1 257240933 HVUBIYDWWXKZMM-IIAWOOMASA-N 323.400 1.916 0 40 DDAB O=C(O)COc1ccccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 257294280 QTJOWZRLAQIZDZ-RDJZCZTQSA-N 321.373 1.266 0 40 DDAB CCOc1ccccc1CN1CCN(C)C[C@H](C(=O)NC)C1 257285249 PGHLTMHSAKRBIA-HNNXBMFYSA-N 305.422 1.195 0 40 DDAB Cc1cc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)on1 257211817 CANRHPSXFOGLGZ-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Cc2ccncc2)CC1 257255014 KFSZJHHVXGZGJL-QGZVFWFLSA-N 315.417 1.874 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)c3coc(C)n3)CC[C@H]21 257343970 ZVDUAWCPGTUKPA-DZGCQCFKSA-N 305.378 1.846 0 40 DDAB Cc1ncc(-c2cncc([C@H]3CCCN(CCO)C3)n2)n1C 257338152 YWCQQRNVYZURFH-ZDUSSCGKSA-N 301.394 1.357 0 40 DDAB CS(=O)(=O)N1CCN(CCOc2ccccc2Cl)CC1 52797759 FHKCGGPZKMNPFA-UHFFFAOYSA-N 318.826 1.296 0 40 DDAB CC(C)c1cccc(C(C)C)c1-n1c(O)nc(=O)n(C)c1=O 255187679 GCLCHMDATBFWDJ-UHFFFAOYSA-N 303.362 1.884 0 40 DDAB COc1ccc(C(=O)N2CCN(c3nc(C)cs3)CC2)cn1 30703059 XCEIRHCPJRFAHO-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB COc1cccc(CC(=O)N2CCCC[C@@H]2CNC(N)=O)c1 69594863 WIMHGECJHYOPLL-CYBMUJFWSA-N 305.378 1.287 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc2ncccc2c1 575425817 XIGCKBIELYPMRZ-QWHCGFSZSA-N 319.411 1.095 0 40 DDAB COC[C@]1(CC(N)=O)CN(Cc2ccc(Cl)cc2)CCO1 585279488 ZTFVVSPHOSKNDW-HNNXBMFYSA-N 312.797 1.433 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1ccncc1 42869248 BOWHARVAELGDDF-STQMWFEESA-N 309.391 1.115 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](COc3ncccn3)C2)n(C)n1 1775995051 SDJGHAVJDCMCSO-ZDUSSCGKSA-N 315.377 1.450 0 40 DDAB COc1cc(C(=O)NC/C=C/S(C)(=O)=O)c2ccccc2n1 1776009260 BSBSITYTBCZBKI-WEVVVXLNSA-N 320.370 1.532 0 40 DDAB Cc1cc(N2CCN(c3nccn4nc(C)cc34)CC2)ncn1 1776009339 DUTSKFSRLCPRAU-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB O=C1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CCN1 73552430 ANHFBPRYMWREOL-WDEREUQCSA-N 312.291 1.767 0 40 DDAB CCCN1CCC[C@H]1C(=O)N1CCC(c2nncn2CC)CC1 75603070 IINUNCPRVGHIDO-HNNXBMFYSA-N 319.453 1.878 0 40 DDAB C[C@H](Cc1ccccc1F)NCCN1CCCS1(=O)=O 188177214 BSRVZFJFJTZVEL-GFCCVEGCSA-N 300.399 1.382 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](/C=C/c3ccccc3)[C@H]12 4025980 TYOLRTYWMXRCLK-LAIWTLGMSA-N 314.389 1.709 0 40 DDAB biogenic Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n(C)n1 11694269 NQNHECOFHMKYOF-UHFFFAOYSA-N 312.329 1.634 0 40 DDAB O=C(NC[C@@H]1OCCc2ccccc21)C(=O)NC1CCCCC1 16857402 VARQTPBTBGFBAT-INIZCTEOSA-N 316.401 1.866 0 40 DDAB COc1cc(/C=C\C=C(C(=O)O)C(=O)O)cc(OC)c1OC 17156650 WTAIAEUADLODSE-PLNGDYQASA-N 308.286 1.821 0 40 DDAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CC(=O)OC2(C)C)cc1 19456693 QRTYECMJBPMUOW-RISCZKNCSA-N 321.373 1.920 0 40 DDAB Cc1nc(C)c(CC(=O)NCc2ccc(Cl)cc2)c(=O)[nH]1 19937382 OVTUJZOEBUHQCL-UHFFFAOYSA-N 305.765 1.899 0 40 DDAB Cc1cc(O[C@H]2CCN(C(=O)Cn3cccc3)C2)cc(=O)o1 206966134 XVSXROAZXGWKHV-ZDUSSCGKSA-N 302.330 1.430 0 40 DDAB COC(=O)c1ccc2c(=O)n(C[C@@H](C)O)c(SC)nc2c1 6003252 KZIJPSBOAXAHDA-MRVPVSSYSA-N 308.359 1.286 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1F 22134729 SIKXKKADXPECBO-AWEZNQCLSA-N 321.352 1.327 0 40 DDAB COCC(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 9626705 IDONJWSUYAQZIR-UHFFFAOYSA-N 321.358 1.132 0 40 DDAB CN1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@]2(CCCC(=O)N2)C1 2055812486 WDXJCOOEPJHCRX-IIDMSEBBSA-N 321.465 1.626 0 40 DDAB CC(C)(C)OC(=O)NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1 1772717794 AONPJKJGIRFCEH-NSHDSACASA-N 308.334 1.306 0 40 DDAB Cc1ccc(Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)cc1 100562988 UBCDJOXBMSRYRD-UHFFFAOYSA-N 302.359 1.069 0 40 DDAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)N1CCOCC1 40488228 VSNYSWFGXUSXTQ-OAHLLOKOSA-N 310.419 1.573 0 40 DDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC[C@H](O)C1 40488099 LLZSHHVLZBNYIE-NSHDSACASA-N 324.764 1.049 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCO2)C1=O 40474260 NGVREXIQQYPUFP-CHWSQXEVSA-N 318.373 1.486 0 40 DDAB COC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C)C3 150468 HYWCPXNSJSJZKQ-YUMQZZPRSA-N 307.375 1.712 0 40 DDAB COc1ncccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 40520987 SIERIMBJOOIUKP-CQSZACIVSA-N 319.405 1.417 0 40 DDAB CS(=O)(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1 40511230 AWIITRHEALRYPK-UHFFFAOYSA-N 323.393 1.451 0 40 DDAB O=C1CSc2ccc(C(=O)NCCN3CCCCC3)cc2N1 40535707 VPRQYVPTVIIDTM-UHFFFAOYSA-N 319.430 1.947 0 40 DDAB CCN1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 51122187 DAXYDOLVPUBBKE-UHFFFAOYSA-N 301.434 1.815 0 40 DDAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(C(C)C)CN3)c1 20588817 ZTXIQRDWODWHLJ-UHFFFAOYSA-N 300.362 1.428 0 40 DDAB Cc1noc(C)c1CC(=O)NCCc1ccc2c(c1)OCO2 32741234 FAZTZDAFPHSFQN-UHFFFAOYSA-N 302.330 1.922 0 40 DDAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(=O)[nH]c1)CC(C)C 32914567 UDRHLHHQCFWXGI-GFCCVEGCSA-N 309.366 1.266 0 40 DDAB CC(C)n1nc(C(=O)NC[C@H]2CCOC2)c2ccccc2c1=O 41378586 OBMRXLOZBKITNQ-GFCCVEGCSA-N 315.373 1.744 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)=O)cc1 324265 PKCCGIMOTGRKBT-CQSZACIVSA-N 318.329 1.803 0 40 DDAB Cc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1 1356072 RVIXGWUPGSEBAF-UHFFFAOYSA-N 312.424 1.829 0 40 DDAB O=C([C@@H]1COCCO1)N1C[C@@H]2CCCN2Cc2ccccc21 78615882 CEHUERKVLBBAFI-HOCLYGCPSA-N 302.374 1.413 0 40 DDAB O=C(CCN1CCC[C@H]1Cc1ccccc1)N1CCOCC1 47280189 MTRUDJIOXFWRSB-KRWDZBQOSA-N 302.418 1.942 0 40 DDAB COc1nc(N2CCCC2)nc(-n2cc(-c3ccccc3)nn2)n1 3626622 YLLHRTIZELWZTH-UHFFFAOYSA-N 323.360 1.728 0 40 DDAB CC(=O)[C@H]1[C@H](c2cccc(C)c2)NC(=O)N[C@@]1(O)C(F)(F)F 4192807 UCQANRNMCGXMLU-GVXVVHGQSA-N 316.279 1.805 0 40 DDAB CCO[C@]1(O)OC(=O)[C@H]2[C@@H](C)Cc3cc(OC)c(OC)cc3[C@@H]21 4776241 FIGVLYRTCBNUIO-CHKZYTGQSA-N 322.357 1.835 0 40 DDAB O=C(CCNC(=O)Nc1ccccc1)NCCc1ccccn1 24043088 ONJALSKHTBAAAT-UHFFFAOYSA-N 312.373 1.952 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1cccs1 42872786 OVCVPGNKLZWDIA-QWRGUYRKSA-N 314.432 1.782 0 40 DDAB COCCN1CC[C@@]2(CCCN(Cc3ccnn3C)CC2)C1=O 108529349 NFZMKOPUCLVYRQ-KRWDZBQOSA-N 320.437 1.271 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCC(N2CCNC2=O)CC1 55786081 PLKLRHXJHGTMGO-UHFFFAOYSA-N 320.393 1.736 0 40 DDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1F 9993264 KJZTWWPLMNZYHG-VIFPVBQESA-N 300.717 1.713 0 40 DDAB CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100394074 IKLHAPIXQITRCX-UAZQNFISSA-N 303.358 1.539 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 100634828 GWGHUUDNESIALH-WFGGJUAMSA-N 319.744 1.799 0 40 DDAB CN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 107806579 VLNCINFIXCLFSO-MELADBBJSA-N 321.352 1.535 0 40 DDAB O=C(NC(=S)NCc1nc2ccccc2[nH]1)c1ccco1 3258350 HSCJSFDYMOWVTK-UHFFFAOYSA-N 300.343 1.960 0 40 DDAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccsc1 48236435 DOWNRQZWHZMQTQ-OLZOCXBDSA-N 309.435 1.526 0 40 DDAB CC[C@H]1CN(C(=O)CSc2nnc(-c3ccc[nH]3)o2)CCO1 58158428 SZZBDRZTYPCSEB-JTQLQIEISA-N 322.390 1.794 0 40 DDAB O=C1CSCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 44894512 JRBXFJGIHGDQED-UHFFFAOYSA-N 315.398 1.586 0 40 DDAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)N1CCCCC1 10213618 SYQPLUGMBIVMIQ-LBPRGKRZSA-N 301.350 1.442 0 40 DDAB CN1CCN(c2ncccc2CNC(=O)c2ccccn2)CC1 58281687 IVIUPEAJTAHKMS-UHFFFAOYSA-N 311.389 1.158 0 40 DDAB Cc1cc(C(=O)Nc2ncc(C)s2)c2c(=O)[nH]n(C)c2n1 58293167 UPPKRMHKAANWMD-UHFFFAOYSA-N 303.347 1.587 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)no1 44938565 SNNOCRGBTMWMBM-GFCCVEGCSA-N 322.386 1.775 0 40 DDAB CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 44938416 OJPVVZABDUYLHU-JTQLQIEISA-N 313.375 1.070 0 40 DDAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)no1 44975118 URCVKFJKCZGPTM-GFCCVEGCSA-N 322.409 1.190 0 40 DDAB COc1ccc([C@H](NC(=O)NC[C@H](C)O)c2nccn2C)cc1 44948499 GRGWXHZEEUVTEX-FZMZJTMJSA-N 318.377 1.198 0 40 DDAB CC(C)(C)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 12728266 SHCBANWZCSBFSK-UHFFFAOYSA-N 301.346 1.473 0 40 DDAB Cc1ccccc1NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 58342282 OTUXIGDISVGQPP-GFCCVEGCSA-N 304.394 1.455 0 40 DDAB Cn1ccnc1N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 89926880 XNHJHMHKVWIINZ-HNNXBMFYSA-N 304.369 1.415 0 40 DDAB C[C@@H](CNC(=O)/C=C/c1cnccn1)N1C[C@@H](C)O[C@H](C)C1 89930288 KNFDLDNGJXJQCT-DACWGTRXSA-N 304.394 1.104 0 40 DDAB C[C@@H](Sc1nnc(C[C@@H](C)c2ccccc2)n1N)C(N)=O 3326085 LYFOBQVCSCRAOR-NXEZZACHSA-N 305.407 1.304 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCCCOCc2ccco2)CC1=O 46320714 OMGLBYDOPMYBHJ-ZDUSSCGKSA-N 308.378 1.559 0 40 DDAB COCCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc21 2622796 SSRAGVVHKAVJOF-VIFPVBQESA-N 322.390 1.358 0 40 DDAB CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCCc2ccccc21 3663561 VJSMBLDGIKUCNN-UHFFFAOYSA-N 301.346 1.833 0 40 DDAB CCc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N(C)C)cc1 39975678 LTRULUSHXHWBEJ-MRXNPFEDSA-N 313.401 1.970 0 40 DDAB O=C(COC(=O)c1cccc(O)c1)NC(=O)Cc1ccccc1 9253565 HQSDTUCDKJIQRI-UHFFFAOYSA-N 313.309 1.435 0 40 DDAB CN(C(=O)Cn1nc(-c2ccccc2)oc1=O)C1CCCC1 65401492 IYRPLINLLZCKIC-UHFFFAOYSA-N 301.346 1.904 0 40 DDAB COc1c(CNCCC(=O)Nc2ccccn2)c(C)nn1C 65624181 WDTIOOQTSRBNTK-UHFFFAOYSA-N 303.366 1.251 0 40 DDAB COCCNC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 5751941 XRNYUBHMHWHEJC-GVMDUPDNSA-N 308.422 1.470 0 40 DDAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)on1 6852201 MFVYASSDXFKYQV-VIFPVBQESA-N 318.285 1.896 0 40 DDAB CCOc1ccccc1Cn1nnc(-c2ccc(C(N)=O)cc2)n1 7143454 SLGFEOGAZNWFPT-UHFFFAOYSA-N 323.356 1.886 0 40 DDAB Cc1nc(C)c(C(=O)NCCC(=O)Nc2cccnc2)s1 68127473 PSLPFBWXBWRJCO-UHFFFAOYSA-N 304.375 1.914 0 40 DDAB CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683610 YMYSDCAVEBVSLZ-NSHDSACASA-N 302.783 1.239 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2c(c1)OCO2 7738698 LHQSXUBGLLBZNG-UHFFFAOYSA-N 313.269 1.806 0 40 DDAB CN(Cc1ccc([S@@](C)=O)cc1)S(=O)(=O)c1cccnc1 96454063 RSXZHLSCIMFUPH-FQEVSTJZSA-N 324.427 1.640 0 40 DDAB NC(=O)[C@@H](CNC(=O)Cc1ccsc1)Cc1ccc(F)cc1 71841571 QFMDLVREPUPLPC-CYBMUJFWSA-N 320.389 1.890 0 40 DDAB Cc1nnc([C@@H](C)N2CCN(C(=O)c3ccsc3)CC2)o1 71819472 VNMHEAFSWHWPKJ-SNVBAGLBSA-N 306.391 1.959 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@@H]1Cn1cccn1 71878614 YFQCMBPBIGZLFZ-CQSZACIVSA-N 302.378 1.599 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](c2ccncn2)C1 69384237 MXZBPFHRFBAKEU-STQMWFEESA-N 312.377 1.473 0 40 DDAB Cc1cccc(NC(=O)CCNc2cn[nH]c(=O)c2Cl)n1 91463372 JUDXWWCGJSTGAS-UHFFFAOYSA-N 307.741 1.567 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H](c1ccccc1)n1cccn1)C2 69516506 LIFSZSUFOMPSHL-INIZCTEOSA-N 322.372 1.415 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 17636141 AATCVIMGJQWXII-ZETCQYMHSA-N 308.186 1.910 0 40 DDAB O=c1n(CCN2CCN(c3ccccc3)CC2)nc2ccccn12 74238190 DNAZOLSBAKWXQZ-UHFFFAOYSA-N 323.400 1.318 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 69779063 NSLCFDDGANMAED-LXTVHRRPSA-N 308.426 1.366 0 40 DDAB CN(C)C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CCO1 69818751 FWRZWNYVHJQIIS-INIZCTEOSA-N 317.433 1.228 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)Cc2cccc(C(N)=O)c2)CC1 69897187 LNJZLIXCNFUCKY-CQSZACIVSA-N 319.449 1.310 0 40 DDAB CCCNC(=O)[C@H](C)Nc1cc(F)cc(N2CCOCC2)c1 95966697 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CC(=O)NC1(c2ccccc2F)CCN(CC(=O)N(C)C)CC1 72341583 XHNFEWOWULNZLN-UHFFFAOYSA-N 321.396 1.341 0 40 DDAB CCOC(=O)[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217998802 JVPMPPWJNOMAAA-AAEUAGOBSA-N 317.794 1.394 0 40 DDAB COc1ccc(NC(=O)C[C@@H](CN2CCOCC2)C(=O)O)cc1 71279338 MBJBLDGWQPVVOV-LBPRGKRZSA-N 322.361 1.057 0 40 DDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCC(F)F)c12 36619382 VZPSBGORMGLQJA-UHFFFAOYSA-N 321.287 1.927 0 40 DDAB CC[C@]1(C(=O)N2CCN(C(=O)c3ccoc3)CC2)CCCN1 134398096 PTBFXEMBUXICDW-MRXNPFEDSA-N 305.378 1.096 0 40 DDAB C[C@](O)(CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(=O)O 565107604 VSDGKTGXQLOKLJ-UXLLHSPISA-N 304.390 1.028 0 40 DDAB Cc1cc(NC(=O)CN2CCC(c3nnc(C)s3)CC2)no1 49365692 KAUHDBIWIHMCBL-UHFFFAOYSA-N 321.406 1.961 0 40 DDAB O=C(COc1ccccc1F)N1CCC2(CC1)OCCCO2 75156624 OKVUBKRAIFIDDI-UHFFFAOYSA-N 309.337 1.960 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)CSC 75157323 UZVCMGYIKCTVFZ-HNNXBMFYSA-N 310.419 1.418 0 40 DDAB Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCOCC1 226852568 ZGTDJKBIIURKEO-UHFFFAOYSA-N 301.346 1.418 0 40 DDAB CC(C)N(CCN(C)S(=O)(=O)[C@@H]1CCO[C@@H]1C)C(C)C 195574584 VELHOIDDAMVEAZ-ZIAGYGMSSA-N 306.472 1.544 0 40 DDAB CN(C(=O)c1ccncc1F)c1ccccc1S(C)(=O)=O 85747047 IVFALUNVXZMIFA-UHFFFAOYSA-N 308.334 1.901 0 40 DDAB Cc1ccc(F)cc1NC(=O)C(=O)NCCc1ccccn1 42646136 ZFMPHHRSDCECOU-UHFFFAOYSA-N 301.321 1.827 0 40 DDAB COc1ccc(C(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224185517 SLHAWBLZLPZMTK-UHFFFAOYSA-N 300.362 1.790 0 40 DDAB CNC(=O)c1nc2c(s1)CCN(C(=O)NCC(C)C)CC2 96264757 AWBYROVNXZWKGO-UHFFFAOYSA-N 310.423 1.269 0 40 DDAB Cc1ccccc1C[C@H](C)NC[C@H]1CCCN1S(C)(=O)=O 90799428 SJNCSVVMSGUDLQ-GOEBONIOSA-N 310.463 1.940 0 40 DDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1 96040983 JGMMNAZLISVLSJ-KKUMJFAQSA-N 324.446 1.490 0 40 DDAB C[C@H](Cn1cncn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 96497184 BGVBGLSEVHRDJI-OLZOCXBDSA-N 309.414 1.656 0 40 DDAB O=C(CC1CC1)NCc1cnc2n1CCN(CC1CC1)CC2 96197047 VZPLNJKYURZTTR-UHFFFAOYSA-N 302.422 1.568 0 40 DDAB CS(=O)(=O)N1CCC[C@]2(COCCN(c3ccccc3)C2)C1 96228969 GCPUCCCIINVXPT-MRXNPFEDSA-N 324.446 1.565 0 40 DDAB CCC(CC)c1cc(CNC(=O)N[C@@H]2CCN(C)C2=O)on1 96440702 YMHWCXNZEZTFLN-GFCCVEGCSA-N 308.382 1.608 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccn1)C2 96039036 XUIJUCNYITVELD-WBVHZDCISA-N 304.390 1.668 0 40 DDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccco1)CCN(C(C)=O)C2 96036128 UJARQFROVYAXFC-QGZVFWFLSA-N 319.405 1.182 0 40 DDAB CNS(=O)(=O)CCCN[C@]1(CO)C[C@@H](C)CC(C)(C)C1 96452926 QYINOUHMTRVUFM-GXTWGEPZSA-N 306.472 1.093 0 40 DDAB COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 96408513 XRYNOUXPPAQXLT-CHWSQXEVSA-N 304.321 1.775 0 40 DDAB COCc1cnc2n1CCN(C(=O)Cc1ccccn1)[C@H]2C 96109545 XWDGCTBCFJSBMV-LBPRGKRZSA-N 300.362 1.570 0 40 DDAB Cn1nnc(-c2cccc(NC(=O)c3[nH]nc4c3CCC4)c2)n1 95474534 CQYLRVWYIIQOMW-UHFFFAOYSA-N 309.333 1.341 0 40 DDAB COCCNC(=O)N1CCCN(Cc2c(C)noc2C)CC1 98211909 RWUQHEIVRMCEHU-UHFFFAOYSA-N 310.398 1.155 0 40 DDAB O=C(c1cscn1)N1CCC2(C1)CN(C(=O)N1CCCC1)C2 96070944 SNUWJQKRCKYFTO-UHFFFAOYSA-N 320.418 1.507 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 49871610 SOBNTSFTZNENHA-NSHDSACASA-N 318.156 1.848 0 40 DDAB CNC(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12 96243519 UFTCPVCDSFQASG-UHFFFAOYSA-N 314.393 1.360 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCc1cc2ccccc2o1 96417063 MZRVJKNRRVGXPU-LBPRGKRZSA-N 321.398 1.916 0 40 DDAB CN(C)C(=O)CCNS(=O)(=O)c1ccccc1C(C)(C)C 96427741 SYMMQEHUJMCJMI-UHFFFAOYSA-N 312.435 1.741 0 40 DDAB Cn1cc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cn1 96219321 AOGCGJQCMYWLGZ-HOCLYGCPSA-N 314.393 1.056 0 40 DDAB CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3cccnc3)C2)O1 96052294 OWGGTNZSCUXPGU-IAGOWNOFSA-N 305.422 1.393 0 40 DDAB Cn1ccc(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1 96502239 XAADTEANCCGZHD-AWEZNQCLSA-N 307.394 1.710 0 40 DDAB Cc1ccc(N2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)nn1 247930015 QKBXDFSSZSDOGK-HOTGVXAUSA-N 302.422 1.865 0 40 DDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)Cc2nonc2C)C1 257252332 JUJWTJXOTAALGK-DZGCQCFKSA-N 320.393 1.170 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(Cc2cncs2)C1 257324601 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C[S@](=O)(=S)OCCCCCCO[S@](C)(=O)=S 207724763 NAVDPIJABJUQDL-IYBDPMFKSA-N 306.496 1.162 0 40 DDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 5127462 BJTSJXLSDQMNHV-UHFFFAOYSA-N 302.371 1.363 0 40 DDAB CCNC(=O)NC(=O)CSc1nccn1-c1cccc(F)c1 5263515 MYADKOPZNHFWFP-UHFFFAOYSA-N 322.365 1.949 0 40 DDAB C[C@H](NC(=O)[C@]1(C)CCCO1)c1nc(-c2ccncc2)n[nH]1 12191835 QVIGXEJMVXLHOG-BONVTDFDSA-N 301.350 1.613 0 40 DDAB O=C(NCc1ccccn1)c1nc(Cn2cc(Cl)cn2)no1 12360607 GOFMTKOAVFLFDO-UHFFFAOYSA-N 318.724 1.293 0 40 DDAB CCOc1ccc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 4504447 CXBIPAFQGHHBBE-ZDUSSCGKSA-N 311.403 1.735 0 40 DDAB COc1ccccc1C[C@H](C)NC(=O)c1cnc(N(C)C)nc1 12196610 ZERPIZVBYOWYLR-LBPRGKRZSA-N 314.389 1.912 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390830600 MCXZFWNEKIGGLI-GJZGRUSLSA-N 323.414 1.411 0 40 DDAB CCCn1nnnc1COC(=O)c1[nH]c(C)c(C(=O)OC)c1C 10028167 VEEQCYLYPJGZNF-UHFFFAOYSA-N 321.337 1.172 0 40 DDAB Cn1cc(/C=C/C(=O)N2CCN(c3nccs3)CC2)cn1 11187467 LPYDVFAGRLMSAS-NSCUHMNNSA-N 303.391 1.239 0 40 DDAB O=C(NC1CN(c2ccccn2)C1)c1cnn(-c2ccccc2)n1 1888890814 NFLZPSWXJMLSND-UHFFFAOYSA-N 320.356 1.281 0 40 DDAB COc1cnc(OC2CCN(Cc3ncoc3C)CC2)nc1 1889099114 QGRBRMDRDZGAPA-UHFFFAOYSA-N 304.350 1.825 0 40 DDAB CCOC(=O)c1cnc2c(Br)c(=O)[nH]n2c1C 27943 MIBGZXCETMBUGU-UHFFFAOYSA-N 300.112 1.270 0 40 DDAB O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cn[nH]c3)C[C@@H]2C1 1203091067 SLACDTCDINDLBJ-OKILXGFUSA-N 302.403 1.675 0 40 DDAB CCN1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)C1=O 4326301 SGHOSFXJMXQPED-UHFFFAOYSA-N 323.780 1.278 0 40 DDAB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1 4583574 FQIDKWISPULZPM-UHFFFAOYSA-N 323.780 1.407 0 40 DDAB O=C(Cn1c(CO)cnc1S)NCc1ccc(Cl)cc1 11919877 GTIKUJLEKUDEDS-UHFFFAOYSA-N 311.794 1.634 0 40 DDAB COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)c(OC)c1 267663279 YXDKXKZKNVKOLX-UHFFFAOYSA-N 318.373 1.446 0 40 DDAB CCOC[C@H]1CN(Cc2cnn(CC)c2)Cc2nccn2C1 2055713248 MXDLOIUZCVAXTM-HNNXBMFYSA-N 303.410 1.768 0 40 DDAB CCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055715757 GQYKCAAHMOZZHB-LBPRGKRZSA-N 306.410 1.500 0 40 DDAB CSCC[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 1775967032 BWTAUTNNKUKHRN-JTQLQIEISA-N 309.840 1.732 0 40 DDAB CO[C@H](CCSC)CNS(=O)(=O)c1c(C)nn(C)c1C 1775967843 DRIWADPDOJTMAM-LLVKDONJSA-N 321.468 1.083 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCCn1cccn1 30170882 WXCUSXDVCAQSKE-AWEZNQCLSA-N 318.377 1.437 0 40 DDAB O=C(NCCCn1cncn1)c1ccc(N2CCCC2=O)cc1 31443895 RLJWVOBINQHKES-UHFFFAOYSA-N 313.361 1.225 0 40 DDAB COCCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 40476680 YJASFBZXMPLLGP-LBPRGKRZSA-N 322.430 1.734 0 40 DDAB Cn1c(=O)n(C[C@H](O)COCc2cccs2)c2ccccc21 32760060 GYTSPSKLDNQMQI-LBPRGKRZSA-N 318.398 1.979 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 21516420 ZBWYWELZWDBIAO-UHFFFAOYSA-N 304.371 1.805 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)COCc1cccc(OC)c1 32930949 MQNCCFYDCNJCKH-GFCCVEGCSA-N 308.378 1.243 0 40 DDAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC2CC2)o1 32979377 BSSSPMSARKQJJH-UHFFFAOYSA-N 312.269 1.012 0 40 DDAB COc1ccc(NC(=O)C[C@@H]2Sc3ncnn3C2=O)cc1 579141 KSYONHWIFPZGSJ-JTQLQIEISA-N 304.331 1.430 0 40 DDAB COc1cc(CNCC(C)(C)N2CCOCC2)cc(OC)c1 60818306 DGDSRBWSPYZOLZ-UHFFFAOYSA-N 308.422 1.904 0 40 DDAB NC(=O)c1cnc(N2CCN(c3nccs3)CC2)c(Cl)c1 47087743 UOYVHQWQJICEFJ-UHFFFAOYSA-N 323.809 1.617 0 40 DDAB COc1ccccc1NC(=O)C[C@@H](NCc1ccco1)C(=O)O 4318868 JVPAECXKEZTUBV-CYBMUJFWSA-N 318.329 1.860 0 40 DDAB C[C@@H]1CCCN(C(=O)CNc2ccc(-n3cnnn3)cc2)C1 23057918 OWZNITKDFSMDRK-GFCCVEGCSA-N 300.366 1.333 0 40 DDAB CC(C)N(C)CCNC(=O)c1cncc(Br)c1 54134591 WUIVQTRCPZMORV-UHFFFAOYSA-N 300.200 1.914 0 40 DDAB COCCNC(=S)N1CCC(NC(=O)c2ccccc2)CC1 4888577 VWUMWNHZNHHGFI-UHFFFAOYSA-N 321.446 1.402 0 40 DDAB CCOCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 6844491 YPNBIGSNVNTDFZ-UHFFFAOYSA-N 310.350 1.185 0 40 DDAB Cn1c(C(=O)N2CCC[C@H](C(N)=O)C2)cc(Cl)c1Cl 47719867 LBCJVUIPEMJFCI-ZETCQYMHSA-N 304.177 1.669 0 40 DDAB Cc1cccc(OCC(=O)NCC(C)(C)N2CCOCC2)c1 23424804 FWCCXWOTXUNFAM-UHFFFAOYSA-N 306.406 1.601 0 40 DDAB Cc1ccc(Nc2nc(N)nc(CSc3ncn[nH]3)n2)cc1 12543946 OMRQJRKVUJCTSP-UHFFFAOYSA-N 314.378 1.916 0 40 DDAB CCOCCN1CCN([C@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1C 106776976 XGWHDBFPFRXFPS-UONOGXRCSA-N 324.425 1.353 0 40 DDAB Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1O 26022344 FLJMBKXWPHNZER-VXGBXAGGSA-N 307.346 1.493 0 40 DDAB O=C1OCC[C@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 25369883 WBFPFLQRYQJCEP-CYBMUJFWSA-N 308.765 1.413 0 40 DDAB Cn1c(-c2ccccc2)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 108207567 KNJBLGDOIPYGAI-QKCSRTOESA-N 317.370 1.873 0 40 DDAB COc1ccc(CNC(=O)CN2CCO[C@H](C)C2)cc1OC 22373647 LPOHVFCFEFRPRA-GFCCVEGCSA-N 308.378 1.041 0 40 DDAB COC(=O)[C@@H](C)CN(C)Cc1csc(-c2ncccn2)n1 48275296 LGNQWABCABQSAH-JTQLQIEISA-N 306.391 1.841 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2ccnc2)nc1 44896662 BPFMKLGVKKDUHV-UHFFFAOYSA-N 322.324 1.926 0 40 DDAB CC(=O)NCCNC(=O)Cc1nc(-c2ccccc2)oc1C 44896296 KRCXNPCZXCLRPY-UHFFFAOYSA-N 301.346 1.445 0 40 DDAB CC(C)CCn1c(=O)n([C@@H](C)C(N)=O)c2cc(C(=O)O)ccc21 55244195 UYGOGVJOEKAOEK-JTQLQIEISA-N 319.361 1.594 0 40 DDAB NC(=O)CN1CCC(Nc2ncnc3ccc(F)cc23)CC1 48262351 BPMHBAKNMYQWTC-UHFFFAOYSA-N 303.341 1.131 0 40 DDAB COc1ccc(CCNC(=O)[C@@H]2CSCN2C(C)=O)cc1 58216467 LAIBIYVSMMRDAH-AWEZNQCLSA-N 308.403 1.275 0 40 DDAB Cc1ccc2oc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2c1 58203378 WEAZOENVBRBUJA-UHFFFAOYSA-N 322.386 1.459 0 40 DDAB O=c1[nH]c(=O)n(Cc2ccccc2)c2ncc(CCCO)cc12 44978896 QFNBGVZCZMFWEE-UHFFFAOYSA-N 311.341 1.058 0 40 DDAB COc1ccc2c3c1O[C@]1(C)[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]341 100393601 OMGSJARTUSJECS-XFJQVIQYSA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro C[C@H](C(=O)NC(N)=O)N1CCC(Cc2ccc(F)cc2)CC1 58323661 FPINELFDCHQYHX-LLVKDONJSA-N 307.369 1.664 0 40 DDAB Cc1oncc1C(=O)N1CCC2(CC1)C[C@@H](N(C)C)CCO2 108524694 SMDVYAIVFGFBBJ-ZDUSSCGKSA-N 307.394 1.698 0 40 DDAB COc1cc(F)c(S(=O)(=O)N2CCO[C@H](C)C2)cc1OC 27967242 GNGMVCRRZPPVSQ-SECBINFHSA-N 319.354 1.252 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc(CN2CCCCC2)o1 27979674 QZRSZORAGDLJLE-UHFFFAOYSA-N 321.421 1.328 0 40 DDAB O=C(Cn1ccc(=O)c2ccccc21)NCC[C@H]1CCCO1 58418274 KTFYNFADUJWJIB-CYBMUJFWSA-N 300.358 1.687 0 40 DDAB CNC(=O)CCNC(=O)c1cccc(Cn2nc(C)cc2C)c1 58425444 UNPKYAYPHFBTLZ-UHFFFAOYSA-N 314.389 1.414 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)NC(C)(C)C 11352647 ORWWDHWPRQKMKA-VHSXEESVSA-N 310.350 1.244 0 40 DDAB CC1(C)Oc2cc(S(=O)(=O)Nc3ccon3)ccc2NC1=O 57280381 WMLCFHVLHPYMIR-UHFFFAOYSA-N 323.330 1.585 0 40 DDAB CN(Cc1ccncc1)S(=O)(=O)N1CCc2ccccc2C1 48363058 DARKVUDVOJAUCH-UHFFFAOYSA-N 317.414 1.817 0 40 DDAB CN(C[C@H](O)COCc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 48313922 SANIAZWXTGUPKP-GJZGRUSLSA-N 323.389 1.404 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(c2ncnc3ccccc23)C1 29627381 DXFQJCPLGGDDEC-GFCCVEGCSA-N 320.418 1.395 0 40 DDAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207176 XQRVLYNIJIJHJY-UHFFFAOYSA-N 314.407 1.088 0 40 DDAB CCOc1cc(CN(C)CCC(N)=O)ccc1OC(F)F 27210119 WSEVCJLOVPVQHZ-UHFFFAOYSA-N 302.321 1.994 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H](C)O1 29748114 VVWBKUAUWFVIFQ-MGPQQGTHSA-N 304.394 1.329 0 40 DDAB C[C@H](OC(=O)c1cnn(C)c1)C(=O)Nc1cccnc1Cl 12852852 HMQSQIOZSAEJGH-QMMMGPOBSA-N 308.725 1.653 0 40 DDAB COc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1OC 2647462 RUQIMWVSPHXKIG-UHFFFAOYSA-N 320.389 1.692 0 40 DDAB CN(CC(=O)OCc1ccc(-n2cccn2)cc1)c1ncccn1 23173609 SZOYBURDSXZVBZ-UHFFFAOYSA-N 323.356 1.842 0 40 DDAB Cc1ccc(N2C[C@H](/C(O)=N/S(C)(=O)=O)CC2=O)cc1F 48480654 SGRPIDWGJKQZHA-SECBINFHSA-N 314.338 1.403 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)N1CCSCC1 48791013 QISZFVXPNHEJIB-UHFFFAOYSA-N 309.416 1.424 0 40 DDAB CC(C)[C@@H]1NC(=O)N(CCCNC(=O)c2cccc(F)c2)C1=O 97045865 YEGOZHKMRPJCMP-ZDUSSCGKSA-N 321.352 1.522 0 40 DDAB COC(=O)c1ccc(NC(=O)Cn2cccc(C)c2=O)cc1 49750409 XEZCSDOWLCCOML-UHFFFAOYSA-N 300.314 1.582 0 40 DDAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](Cn2cncn2)C1 97048154 IFNXRYCWLQHYNW-LBPRGKRZSA-N 324.381 1.518 0 40 DDAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCN2CCN(C)CC2)o1 65592827 WSWGPXSGMFJTPF-CQPIPWFBSA-N 317.433 1.780 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)Nc2nnc(C)s2)c1 72269807 DKNFJOLRKWVUTA-UWVGGRQHSA-N 308.411 1.529 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)[C@@H](C)CO 72294168 IJTAGMJLSNBYLS-VHSXEESVSA-N 309.366 1.792 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCCCC1 72282353 JADBJDPIYYCYFL-UKRRQHHQSA-N 315.483 1.664 0 40 DDAB CC(C)C[C@H](NS(=O)(=O)c1cccc2nonc12)C(=O)O 6661780 PDNPWMHSGMJTDV-VIFPVBQESA-N 313.335 1.000 0 40 DDAB CCCCn1c(N)c(N(CCC)C(=O)C2CC2)c(=O)[nH]c1=O 14699191 KYNYQIDEXUFXDF-UHFFFAOYSA-N 308.382 1.072 0 40 DDAB COc1ccccc1C[C@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 66894690 BZXFICDXHFKUTR-CHWSQXEVSA-N 319.405 1.533 0 40 DDAB Cc1ncsc1CNc1cc(N2CCC[C@@H]2CO)ncn1 72276287 BYFPTJSQQFBUOS-LLVKDONJSA-N 305.407 1.815 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1c(F)cccc1Cl 5872165 NDHSBEBLLQXCGV-UHFFFAOYSA-N 300.673 1.188 0 40 DDAB C[C@H]1CN([C@@H](C)C(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1 15254585 PLZQSARLABPFQQ-MJBXVCDLSA-N 308.397 1.982 0 40 DDAB CCNC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 7778593 DYNVHTWRQVKYGO-CQSZACIVSA-N 308.378 1.594 0 40 DDAB O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nccn1C(F)F 81079610 GWPWZVFABHSPQY-UHFFFAOYSA-N 310.304 1.889 0 40 DDAB CCn1nnnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 16461025 VOMOMCYVKWKOAG-GFCCVEGCSA-N 303.391 1.805 0 40 DDAB Cc1cccn2c(=O)cc(CN[C@@H](C)[C@H](C)n3cccn3)nc12 71882080 PKVNTACNHIWNBP-KBPBESRZSA-N 311.389 1.939 0 40 DDAB O=C(Nc1nnn[nH]1)c1ccc(OCC(F)(F)C(F)F)nc1 71856778 KIZFGIAFBAFXPH-UHFFFAOYSA-N 320.206 1.126 0 40 DDAB Cc1ccc(CC(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cn1 70016259 VKNLIPHMJAOLRS-MRXNPFEDSA-N 319.449 1.484 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCc2ccccc2F)CC1 70015621 MPUBQHLOKBUEMC-HNNXBMFYSA-N 308.397 1.673 0 40 DDAB COc1ccccc1CCNC(=O)c1cc(=O)c(OC)c[nH]1 16968334 NGVSWRVYRJPLAO-UHFFFAOYSA-N 302.330 1.365 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cn1 69349278 MQOGPJABAIRMOG-HNNXBMFYSA-N 313.357 1.904 0 40 DDAB COc1ncccc1C(=O)N1CCC(Cn2cccn2)CC1 62131051 SBDFEBJJPAHWMN-UHFFFAOYSA-N 300.362 1.839 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N1CCCCC1 69927246 PNVFELLEYGOPPQ-CVEARBPZSA-N 307.438 1.474 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NC(C)(C)C 9868359 IULPDLHAGXNYAK-UHFFFAOYSA-N 300.380 1.730 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CC[C@@H](S(=O)(=O)NC3CC3)C2)o1 95434473 LTXXZILQEDBBOQ-PSKZRQQASA-N 324.402 1.284 0 40 DDAB C[C@H]1[C@@H](C)OCCN1C(=O)NCc1ccc(-n2ccnc2)nc1 95421694 ISSIVQSZHCEIJV-QWHCGFSZSA-N 315.377 1.586 0 40 DDAB COC(=O)c1ccc([C@H](C)N(C)C[C@@H]2CCN(C(C)=O)C2)o1 89266559 OPWJRTOSZZFOIH-AAEUAGOBSA-N 308.378 1.927 0 40 DDAB COCCn1ccc2cc(NC(=O)CNC(=O)OC)ccc21 89420293 ZTQCQBJILUPMIL-UHFFFAOYSA-N 305.334 1.582 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NC3CCOCC3)C2)n[nH]1 89599016 BQPQUHKYDWNDIP-ZDUSSCGKSA-N 306.410 1.193 0 40 DDAB CCOC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(C)C 89978069 CZJIAGPDMQQBJI-INIZCTEOSA-N 321.373 1.704 0 40 DDAB C[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccsc1 89900919 YWFMXPHCYGPMLM-CMPLNLGQSA-N 307.419 1.914 0 40 DDAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(C)nc2C)N1 36369536 WRTBKTHQPYAHQP-NVXWUHKLSA-N 324.384 1.987 0 40 DDAB biogenic O=C1CC[C@H](Nc2nnc(C(F)F)o2)[C@@H]([C@H]2CCCO2)N1 517212970 DMWZXSQSVPRYCA-OOZYFLPDSA-N 302.281 1.245 0 40 DDAB COc1ccc2cc(NC(=O)CCCn3cnnn3)cnc2c1 524734731 ISSOANJEIOYFTG-UHFFFAOYSA-N 312.333 1.649 0 40 DDAB COc1cc(-c2nc(-c3cnccn3)n[nH]2)cc(OC)c1OC 34925949 PZTWWJIVKYDIHR-UHFFFAOYSA-N 313.317 1.955 0 40 DDAB NC(=O)CN1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72367819 QTNRMLNUERHXPN-GFCCVEGCSA-N 314.364 1.947 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccnn2C)n1 31896962 XAZUJMVXWSYTEQ-SNAWJCMRSA-N 320.374 1.634 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(-c3nnnn3C)cc2)C[C@H](C)O1 72239332 PUYOUXDRSBLWDR-QWRGUYRKSA-N 301.350 1.127 0 40 DDAB NC(=O)CN1CCC[C@@H]1c1nccnc1Nc1nccs1 72367860 DQJMRDPCEJDLFB-SECBINFHSA-N 304.379 1.299 0 40 DDAB Cc1cc(C)nc([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)n1 72369689 CZJVZYFLDNJWBI-OAHLLOKOSA-N 313.405 1.923 0 40 DDAB CCn1nncc1CN[C@@H]1CC(=O)N(c2ccccc2F)C1 567572709 VHALPOANDJNRGA-LLVKDONJSA-N 303.341 1.332 0 40 DDAB COc1cccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[nH]2)c1 49551410 XWPREFFGIIZEPT-LLVKDONJSA-N 308.359 1.212 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)[C@H]2COc3ccccc3O2)o1 49026793 RNKNNFGYVKSDRU-XHDPSFHLSA-N 303.314 1.578 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393232 KKCPMPUDECUYNY-CABCVRRESA-N 319.405 1.497 0 40 DDAB C[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H](C)O1 44944138 YFTRUKPMAHTYKR-GHMZBOCLSA-N 302.396 1.139 0 40 DDAB CCCCc1nnc(NC(=O)CN2CCSC2=O)s1 44872330 PEUGCBKIYFGBBL-UHFFFAOYSA-N 300.409 1.988 0 40 DDAB Cn1nc(C(=O)Nc2ccc(F)cc2)c2c1CCS(=O)(=O)C2 41070468 ZNMWDESNAVGLIZ-UHFFFAOYSA-N 323.349 1.282 0 40 DDAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223603885 BJCOPMOYNQYJTQ-KBPBESRZSA-N 302.403 1.765 0 40 DDAB O=C(COc1cccc2c1NC(=O)CC2)NCc1cccnc1 227158782 VENDGOHHVDXPOK-UHFFFAOYSA-N 311.341 1.662 0 40 DDAB CCCCN(C)S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 195530999 NSSZKMJXYDBPMM-HNNXBMFYSA-N 317.499 1.771 0 40 DDAB CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COC 224688023 AZRKWBKKZRWSOL-UHFFFAOYSA-N 320.389 1.569 0 40 DDAB CN(C)c1nccc(CNC(=O)Nc2ccc3c(c2)OCO3)n1 224237687 NLVIKOQAHVLYKL-UHFFFAOYSA-N 315.333 1.593 0 40 DDAB Cc1noc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 44454127 PDTXTOGYZJCUHB-JTQLQIEISA-N 318.308 1.186 0 40 DDAB CCc1nn(C)c(OC)c1CNC(=O)c1c(C)nsc1NC 89369752 ZDICYXSQJZZEEC-UHFFFAOYSA-N 323.422 1.728 0 40 DDAB COc1ccc2c(c1)CCN(C(=O)N[C@H]1COC[C@H]1OC)CC2 333543763 DKUUDKRLYSWFAK-JKSUJKDBSA-N 320.389 1.219 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1ccc(OC(F)(F)F)cc1 178935283 VGFINFNLJODREY-GFCCVEGCSA-N 305.252 1.466 0 40 DDAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3S(=O)(=O)C3CC3)O2)n1 96041079 WOAWWSHUENKQQP-IJLUTSLNSA-N 313.379 1.165 0 40 DDAB O=C(C1CCOCC1)N1CCn2cc(CN3CCCC3)nc2C1 96197252 LOHZJOIVEXCVFA-UHFFFAOYSA-N 318.421 1.248 0 40 DDAB Cc1nc(-c2ccccn2)n(Cc2cc(=O)n3ccsc3n2)n1 97227954 KRQIWGILSNAGDR-UHFFFAOYSA-N 324.369 1.766 0 40 DDAB COCC(=O)N1CC[C@@]2(CC[C@@H](C(=O)N3CCCC3)O2)[C@H](C)C1 96087386 NIFFIFPVLLNSGQ-KEYYUXOJSA-N 324.421 1.041 0 40 DDAB O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 96081010 BREHVUFNTBEYKY-IRXDYDNUSA-N 324.428 1.933 0 40 DDAB CN1CC[C@@H](NS(=O)(=O)c2ccccc2C(C)(C)C)C1=O 96428143 WZYSRGMUXQIXGT-GFCCVEGCSA-N 310.419 1.493 0 40 DDAB CC(C)(CNC(=O)CCS(C)(=O)=O)c1cccc(F)c1 96411091 BCFZROLFAZTCPP-UHFFFAOYSA-N 301.383 1.654 0 40 DDAB COC[C@H](C)NC(=O)COc1cccc(N2CCCC2=O)c1 96402230 PGQAVJHLTDLBDG-LBPRGKRZSA-N 306.362 1.343 0 40 DDAB Cc1nn(C)c(N)c1C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C 330032502 OGKYLTDROWWBEC-NSHDSACASA-N 322.409 1.647 0 40 DDAB CO[C@H]1CCN(C(=O)COc2ccccc2C)[C@H]2CCO[C@H]12 96217646 USAZWSRQEALJAB-QRTARXTBSA-N 305.374 1.779 0 40 DDAB Cn1cc(CN2CCc3ncnc(-c4ccncc4)c3CC2)cn1 96255229 CNQYRYWYPZVXGA-UHFFFAOYSA-N 320.400 1.873 0 40 DDAB Brc1cnc(N2CCC[C@H](c3nc[nH]n3)C2)nc1 96452906 QRSXRHSUCQPVJC-QMMMGPOBSA-N 309.171 1.741 0 40 DDAB C[C@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)N1CCSCC1 96487012 MSIQFKVRFVWUFM-SNVBAGLBSA-N 320.422 1.186 0 40 DDAB COCCN1CCC[C@H](Nc2ccccc2S(C)(=O)=O)C1 96456188 BHCQNPDXFYYTHL-ZDUSSCGKSA-N 312.435 1.613 0 40 DDAB CN1CC[C@@]2(COCCN(S(=O)(=O)Cc3ccccc3)C2)C1 96201933 JYCFMMWXKPLMSA-MRXNPFEDSA-N 324.446 1.171 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 96184524 QSIDOUCTDSWRMR-CABCVRRESA-N 307.419 1.222 0 40 DDAB Cc1ccc(N2CCc3ncnc(-c4cnn(C)c4)c3CC2)nn1 96083960 VRJKQZJRSCGWFI-UHFFFAOYSA-N 321.388 1.581 0 40 DDAB COCCN1CCN(c2ncc(Br)cn2)CC1 51794383 KPYJNMPJSIUTHU-UHFFFAOYSA-N 301.188 1.008 0 40 DDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)CC1=O 252485092 GNLJNODQKBHUQK-MRLBHPIUSA-N 321.421 1.349 0 40 DDAB COCCCNC(=O)[C@H](C)n1cc(COc2ccccc2)nn1 257173180 FUCIQYOBFWAHNG-ZDUSSCGKSA-N 318.377 1.571 0 40 DDAB CN(CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1)C1CCCC1 257292853 QNEYWOCBUSAEHS-IAGOWNOFSA-N 318.417 1.512 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2)CCO1 25838438 JXQRZAKLFANXGK-CQSZACIVSA-N 314.389 1.591 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257207555 BIHKDJBVUDKKSN-CYBMUJFWSA-N 307.394 1.703 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3cccn3C)CCO2)ncn1 257310609 UFWNCROCUODJRQ-HNNXBMFYSA-N 314.389 1.597 0 40 DDAB CC(C)CCC(=O)N1C[C@H]2OC[C@@H](CN3CCCC3=O)[C@H]2C1 575402659 AIPGGMFNMULCFS-RBSFLKMASA-N 308.422 1.518 0 40 DDAB O=C(NCCN1C(=O)COC1=O)Nc1nc2c(s1)CCCC2 575617268 VHELLXNVHHPWDN-UHFFFAOYSA-N 324.362 1.122 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@H]1CC(=O)O)C2 653646597 DQLBMTAWIMXAQS-OLZOCXBDSA-N 319.357 1.712 0 40 DDAB CSCC(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575404076 PPIUFCJTVSXOAT-NSHDSACASA-N 310.444 1.910 0 40 DDAB COc1ccc(N2C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 575420446 IRMODPIJPRELFK-KOLCDFICSA-N 316.766 1.044 0 40 DDAB CCc1nccn1CCC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585288718 IQNNWNBSLPRRMQ-MRXNPFEDSA-N 305.378 1.186 0 40 DDAB Cn1ccnc1-c1cnc(C[C@@H]2CCN(c3ncccn3)C2)cn1 585178831 HDGVZORQYCQSCF-ZDUSSCGKSA-N 321.388 1.736 0 40 DDAB Cc1n[nH]cc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO 585293271 TVDUWKPFONCWSO-BZUAXINKSA-N 321.808 1.693 0 40 DDAB Cn1cc(CN2Cc3ccnn3[C@@H](COc3ccccn3)C2)cn1 585112489 QBFHNTFZKRUKJC-MRXNPFEDSA-N 324.388 1.648 0 40 DDAB O=C(O)CCC(=O)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 585279360 KSHGOFHGMHLCRS-OCCSQVGLSA-N 309.337 1.442 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C(C)C 26491080 SYWQGQALEJAXJQ-HNNXBMFYSA-N 320.393 1.017 0 40 DDAB COCCc1cnc2n1CCN(C(=O)[C@H]1CCCS1)[C@H]2C 585098707 XQUMVUCGGSMPAN-WCQYABFASA-N 309.435 1.871 0 40 DDAB Cc1ccc([C@H](C)N(C)C(=O)Nc2cnn(CC(N)=O)c2)s1 65437272 FVSDDRCTIMMRLP-JTQLQIEISA-N 321.406 1.963 0 40 DDAB CC1(C)[C@H](NC(=O)C2=NOC3(CCNCC3)C2)[C@@H]2CCCO[C@H]21 1548544346 CQHDXLTTYSGGJG-IACUBPJLSA-N 321.421 1.205 0 40 DDAB Cn1nc(C(=O)NCCc2ccc3ccccc3n2)ccc1=O 69817813 UAIYRJMDJRZEMQ-UHFFFAOYSA-N 308.341 1.301 0 40 DDAB CNC(=O)c1sc2[nH]c(-c3ccccn3)nc(=O)c2c1C 55502082 CLOCOJCOVQAPCP-UHFFFAOYSA-N 300.343 1.715 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@H]1COCCN1 88370311 BDVBIHIDQRUMKY-GFCCVEGCSA-N 313.195 1.396 0 40 DDAB Cn1ccnc(Nc2cnn(CCN3CCCCC3)c2)c1=O 92978307 XYULEHKRCOYKQM-UHFFFAOYSA-N 302.382 1.206 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C(=O)[C@H]1COc2ccccc21 95396621 HXLMTXVWGYEDLN-JTQLQIEISA-N 316.279 1.300 0 40 DDAB Cc1csc(N2CCN([C@H](C)C(=O)N3CCCC3)C[C@@H]2C)n1 106844336 UOEWNCCYBJPABO-UONOGXRCSA-N 322.478 1.973 0 40 DDAB Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 41122274 YLSWQJYHJGXIKW-LBPRGKRZSA-N 307.375 1.946 0 40 DDAB COCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 4973926 HNWNRTFHDFWCED-UHFFFAOYSA-N 305.300 1.543 0 40 DDAB C[C@@H](C(=O)NC1CC1)n1nc(-c2cccs2)cc(N)c1=O 12181214 VSDHTGMLRWCKHC-QMMMGPOBSA-N 304.375 1.394 0 40 DDAB O=C(NC(=S)NCc1ccco1)c1ccc2c(c1)OCCO2 14257818 IQJWTUKHYCSAHS-UHFFFAOYSA-N 318.354 1.855 0 40 DDAB Cn1ccc(C(=O)N2CCC(c3cc4nccnc4[nH]3)CC2)n1 19290892 BAHULAIPZJHTSX-UHFFFAOYSA-N 310.361 1.711 0 40 DDAB CCC(=O)N1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 19499087 VHTGDZCDELZSBS-OAHLLOKOSA-N 316.405 1.845 0 40 DDAB Cc1nccn1CCNC(=O)c1n[nH]c2c1COc1ccccc1-2 19656607 XNMJCPRPBGZNCX-UHFFFAOYSA-N 323.356 1.904 0 40 DDAB CCN(CC)c1ncc(CN2CCO[C@](C)(C(N)=O)C2)s1 19746903 REJXSCXEPILLCS-AWEZNQCLSA-N 312.439 1.066 0 40 DDAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1CC1 575615142 BZKQPLFNPJXDTC-UHFFFAOYSA-N 300.406 1.850 0 40 DDAB O=C(OCC(=O)N1CCOCC1)c1ccc(F)cc1Cl 3317454 BGYDGYKUKBXLFD-UHFFFAOYSA-N 301.701 1.495 0 40 DDAB Cn1cc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cn1 16551357 YCDQNRQAIVPTOP-UHFFFAOYSA-N 300.270 1.589 0 40 DDAB CCN(CC)C(=O)[C@H]1C(=O)N[C@]2(C)C[C@@H]1c1ccccc1O2 100835425 IQBBFZAIYZOIHP-MRRJBJDNSA-N 302.374 1.883 0 40 DDAB CN(C)C(=O)NC1CC2(CCN(C(=O)CCc3ccc[nH]3)C2)C1 1565545085 VVKOWIKAUDUFIH-UHFFFAOYSA-N 318.421 1.600 0 40 DDAB COC(=O)c1sc(C(=O)OC)c(OC(C)=O)c1OC(C)=O 1440460 BJOHLEYOLOMKCX-UHFFFAOYSA-N 316.287 1.172 0 40 DDAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 488769 KEYVVBUHVHXCLC-XJIUQZFPSA-N 317.341 1.513 0 40 DDAB CC(C)[C@H](CNC(=O)NCc1ccccc1)N1CCN(C)CC1 40058138 OGIFHEXCQDFCAM-KRWDZBQOSA-N 318.465 1.758 0 40 DDAB NC(=O)C1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 30544695 SSXCPSBVYVNDCB-UHFFFAOYSA-N 309.753 1.403 0 40 DDAB CN(C)C(C)(C)CNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 40510390 CYJYIYDGEFRQLN-UHFFFAOYSA-N 321.812 1.991 0 40 DDAB O=C(NC(=S)Nc1ncccc1O)c1ccc2c(c1)OCO2 568376 HEXIAVLECYOFLK-UHFFFAOYSA-N 317.326 1.643 0 40 DDAB CCNS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1C 76997709 RTNFXCGXSPAXIN-KBPBESRZSA-N 310.419 1.154 0 40 DDAB NC(=O)C1(NC(=O)c2ccn(-c3ccccc3)n2)CCCCC1 77397938 AFVNSVSOQWOIFZ-UHFFFAOYSA-N 312.373 1.790 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 78789173 BHUAOUIXZWFYQA-LSDHHAIUSA-N 310.344 1.636 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 78716840 DVGLGYVXKDDZTM-HUUCEWRRSA-N 316.401 1.755 0 40 DDAB COc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1cnn(C)c1 78963941 YJOOMCCXSUSCGM-KBOKABMXSA-N 315.373 1.466 0 40 DDAB CC(C)c1cc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)on1 78972163 SXTJHWOVVNTFJX-SNVBAGLBSA-N 306.366 1.361 0 40 DDAB CCOC(=O)COc1ccc(OCC(=O)OCC)c(C(C)=O)c1 2021202 ZUJCBFWOMNMMME-UHFFFAOYSA-N 324.329 1.773 0 40 DDAB C[C@@H](Sc1nc2sccc2c(=O)n1C)C(=O)NC1CC1 22534686 LLVVILJVNKWWHA-SSDOTTSWSA-N 309.416 1.754 0 40 DDAB Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C)C1=O 12409946 YKUSAFKFQSEEMX-GFCCVEGCSA-N 315.251 1.165 0 40 DDAB O=C(NCCNC(=O)c1ccc(F)cc1F)c1ccc(O)cc1 47552697 UUODBJJSEMPCAK-UHFFFAOYSA-N 320.295 1.830 0 40 DDAB COCCNC(=O)CCn1cnc2sc(C)c(C)c2c1=O 23735129 RDJCXOTUTXORFI-UHFFFAOYSA-N 309.391 1.228 0 40 DDAB COCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O 23735375 BFZLOVPAKXUKTI-UHFFFAOYSA-N 305.378 1.510 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccs1 42872784 OVCVPGNKLZWDIA-GHMZBOCLSA-N 314.432 1.782 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)CN(C)CC(=O)NC(C)C)c1C 25299739 VQUPXYVLVJGPAU-MRXNPFEDSA-N 322.449 1.808 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)NCC[S@](C)=O 95398057 HFPXPQSWNYUHDF-GIGQVBGESA-N 302.827 1.949 0 40 DDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCC[C@H]21 56193810 FAIRUKOBKBQTAQ-ZBFHGGJFSA-N 313.357 1.176 0 40 DDAB CN(Cc1nccn1C(F)F)CN1C(=O)c2ccccc2C1=O 12520731 VLSASFRHVNXLIP-UHFFFAOYSA-N 320.299 1.964 0 40 DDAB CNC(=O)c1cccc(Nc2nc(N)nc3c2nc(C)n3C)c1 57279198 QHDCMHMLOZPLHG-UHFFFAOYSA-N 311.349 1.357 0 40 DDAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101639812 CBLNBEGODMNXCP-ZYQOIBQFSA-N 303.362 1.429 0 40 DDAB NC(=O)[C@H](OC(=O)CNC(=O)C1CCCCC1)c1ccccc1 10136079 QOVKVJCBNOSJTB-OAHLLOKOSA-N 318.373 1.453 0 40 DDAB CCOc1c(Cl)cc(CNCCNC[C@@H](C)O)cc1OC 22076001 BPQYFNRCANREJB-LLVKDONJSA-N 316.829 1.807 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(-c2ccccn2)noc1=O 58293186 JVVCLFHELRZMHC-VXGBXAGGSA-N 316.361 1.593 0 40 DDAB COCCn1cc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cn1 44969390 MKTVZEWXWMFQDT-KBPBESRZSA-N 323.441 1.914 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)c1ccccc1-n1cnnn1 58304607 GKQSAEVTOCRPGA-GFCCVEGCSA-N 301.350 1.303 0 40 DDAB Cc1cc(C(=O)NO[C@@H]2CCCCO2)c2c(C)nn(C)c2n1 58330499 NRLMUYCWXWFRRC-GFCCVEGCSA-N 304.350 1.773 0 40 DDAB Cc1c(Cl)cccc1N(CC(=O)NC1CC1)S(C)(=O)=O 20237452 QHTCSXYXDUOWPK-UHFFFAOYSA-N 316.810 1.693 0 40 DDAB C=C1c2ccccc2C(=O)N1CC(=O)NO[C@@H]1CCCCO1 58418892 DSISVGNSPPILSF-OAHLLOKOSA-N 302.330 1.688 0 40 DDAB O=C(c1ccccc1)C1CCN(c2cncc3nnnn23)CC1 48230018 OENNCRLNMWMWQV-UHFFFAOYSA-N 308.345 1.619 0 40 DDAB CCc1ccc(N2C(=O)C[C@H](NC[C@@H]3CCCO3)C2=O)cc1 28640841 RWJBRJUSOVCSJS-GJZGRUSLSA-N 302.374 1.650 0 40 DDAB CCOC(=O)N1C=C[C@@H]2[C@H]([C@@H]2CC(=O)OC)N1C(=O)OCC 104122680 CZCLSKFSHRSIQZ-HOSYDEDBSA-N 312.322 1.523 0 40 DDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc2c(c1)OCO2 11999479 CRGIYKYZQISKTH-NSHDSACASA-N 314.407 1.424 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2 62640106 IRKWLLDWDNWKSB-LLVKDONJSA-N 323.356 1.173 0 40 DDAB O=C(CNC(=O)NCc1ccccc1)NCCc1ccccc1 12918284 WQUUPIYDVYNPOJ-UHFFFAOYSA-N 311.385 1.845 0 40 DDAB Cc1ccc(C)c(OCCSCc2nc(N)nc(N)n2)c1 9049940 BKJOLOYVWKMTQL-UHFFFAOYSA-N 305.407 1.965 0 40 DDAB Cc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 9145156 OQYXXQGHPYZNAE-UHFFFAOYSA-N 306.347 1.553 0 40 DDAB O=C(CCNc1ncccn1)NCc1nc(-c2ccccc2)no1 13730330 IMNYGIDRYFIVKD-UHFFFAOYSA-N 324.344 1.645 0 40 DDAB CCCNC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253694 XJKIVPZLQYKSDE-UHFFFAOYSA-N 322.752 1.286 0 40 DDAB CCN1CC[C@H](CNC(=O)Nc2ccc(OCCOC)nc2)C1 65494034 VJYUAYLVWWDSIJ-CYBMUJFWSA-N 322.409 1.570 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4975385 RZSODNLUFWZQTQ-KIHUBXBXSA-N 314.341 1.781 0 40 DDAB O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1 72299732 HMJBQMIDYQSLPD-CQSZACIVSA-N 311.389 1.510 0 40 DDAB Cc1cc(N2CC[C@@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1 90170889 YWLRFEYIRQGXSG-OLZOCXBDSA-N 320.437 1.770 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)cn1 71796842 BVZFDCUMFMPNSQ-OAHLLOKOSA-N 322.372 1.978 0 40 DDAB CC(C)c1nnc2n1C[C@H](CNCCCN1CCCC1=O)CC2 72252990 QIPAEDAZGNPEIB-AWEZNQCLSA-N 319.453 1.566 0 40 DDAB CN(C)c1ccc(CNCCn2c(=O)oc3ccccc32)cn1 69161129 GVPWRMHQVDBVKM-UHFFFAOYSA-N 312.373 1.845 0 40 DDAB CCc1noc(-c2ccc(CCNS(=O)(=O)N(C)C)cc2)n1 69129865 PYYPNMBOEBBFBY-UHFFFAOYSA-N 324.406 1.238 0 40 DDAB Cc1noc([C@@H](C)N2CCN(c3ncnc4c3CCC4)CC2)n1 69348087 BDKHTFJLZFIYGM-LLVKDONJSA-N 314.393 1.540 0 40 DDAB CNC(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccccc1)C1CC1 69484598 PCTHMIJJVHJVKN-INIZCTEOSA-N 315.417 1.388 0 40 DDAB CN1CCO[C@@H](CNCc2csc(-c3ccccn3)n2)C1 71857592 OTTLCCNSKPNRLE-ZDUSSCGKSA-N 304.419 1.625 0 40 DDAB COC(=O)[C@H](CNC(=O)Nc1cn[nH]c1)Cc1cccc(C)c1 69654225 WPCPPWSTLLXEFK-ZDUSSCGKSA-N 316.361 1.872 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cnn(C)c2)c1C 69694429 LYHMDZOKENYCAY-UHFFFAOYSA-N 318.377 1.814 0 40 DDAB Cc1cccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 69698773 OAXBEXFQNOIHQF-UHFFFAOYSA-N 314.389 1.776 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69777479 QTDFNGQYMYCYDV-NMLBEHRDSA-N 315.295 1.734 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 69895716 PYKKXORRTRCOPK-BBWFWOEESA-N 302.418 1.705 0 40 DDAB COc1cccc(CNc2nc3nc4c(c(O)n3n2)CCC4)c1 18221932 IFTXOKCRVBWTSI-UHFFFAOYSA-N 311.345 1.939 0 40 DDAB OCCn1ncc2c(NC[C@@H](O)c3ccccc3F)ncnc21 97199781 NMDRZKRSZIWZQH-CYBMUJFWSA-N 317.324 1.103 0 40 DDAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccn(C)c(=O)c2)C1 95954926 SFCLQTADJGTGQN-ZBFHGGJFSA-N 319.449 1.902 0 40 DDAB CCCNC1(Cc2cc(C(=O)N3CCCCC3)on2)COC1 67898512 MUGXAQKAXSASMT-UHFFFAOYSA-N 307.394 1.612 0 40 DDAB biogenic,in-vitro CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2noc(C)n2)C1 548337386 ZILZIKAYCRRYJY-AWEZNQCLSA-N 321.406 1.380 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(O)=NC1=O 64219242 FMOLHLGOVAJYMK-GXSJLCMTSA-N 320.301 1.100 0 40 DDAB Cc1ncn(CC(=O)NCc2cncc(C3CC3)c2)c(=O)c1C 675007968 IBAOBASVWZXKPC-UHFFFAOYSA-N 312.373 1.449 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)N(C)C)c1ccc(Cl)cc1 36090649 AWLFDCPXFIOKBM-GFCCVEGCSA-N 305.831 1.339 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CSCN1)c1cn(-c2ccccc2)nn1 122639466 OVGIRPQCLYODPN-MFKMUULPSA-N 303.391 1.107 0 40 DDAB Cc1noc([C@@H]2COCCN2C(=O)c2ccncc2Cl)n1 120983549 TZAHRBLZNWVRNK-NSHDSACASA-N 308.725 1.640 0 40 DDAB CC(C)OCCN1CCN(C(=O)[C@H]2COc3ccccc32)CC1 74391262 QVPJQFKATJFJAR-INIZCTEOSA-N 318.417 1.732 0 40 DDAB Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2C(=O)O)c(O)n1 314206281 QZZJKUKNNVMOBG-GFCCVEGCSA-N 307.350 1.197 0 40 DDAB Cc1nccc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 72355936 NZPTVRDQSOMXCB-ZDUSSCGKSA-N 318.402 1.748 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)C[C@]1(O)CCCN(C)C1 46087369 WEYGMJAATYFTLO-QAPCUYQASA-N 320.433 1.605 0 40 DDAB CC[C@H]1COCCN1C(=O)CNC(=O)c1ccc2c(c1)CCC2 86335613 RFVFRCOZHIWUAX-INIZCTEOSA-N 316.401 1.543 0 40 DDAB COc1cncc(O[C@@H]2CCN(C(=O)c3cccs3)C2)n1 225393457 CLHOXSJVPKEZCG-SNVBAGLBSA-N 305.359 1.840 0 40 DDAB CCOC(=O)[C@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 134858137 UMCPFDZPJRPSRP-ZDUSSCGKSA-N 315.377 1.750 0 40 DDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NCc1ccccn1 223314695 AHSKMSDVOARIFO-UHFFFAOYSA-N 319.342 1.303 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)CC)s1 223384994 PNADPKYVIILLAO-UHFFFAOYSA-N 306.413 1.354 0 40 DDAB CN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1ccccc1)CC2 96217633 WWVIYAKBPYHXJX-INIZCTEOSA-N 322.430 1.852 0 40 DDAB COC[C@H]1COCCC12CCN(C(=O)c1cnn(C)c1)CC2 96106380 FSBBDUMHKYOBKP-AWEZNQCLSA-N 307.394 1.325 0 40 DDAB O=C(c1ccccc1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 96161770 GDAAXZFYPQTZQS-OKILXGFUSA-N 312.348 1.824 0 40 DDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2nccn2C)C1 96420769 JAXQFEQYAKBNQA-CYBMUJFWSA-N 321.425 1.114 0 40 DDAB CCOc1cc2c(cc1Cn1cnnc1[S@](C)=O)O[C@H](C)C2 96408052 HURGJDQOJIFIIE-ZQJOYCHOSA-N 321.402 1.786 0 40 DDAB CCOC[C@H]1c2c(cnn2C)CCN1Cc1cccnc1OC 96197740 JFNURUVOPROUNZ-HNNXBMFYSA-N 316.405 1.960 0 40 DDAB C[C@@](Br)([C@@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521226 XINQKLGZTGJKMZ-UWVGGRQHSA-N 308.197 1.458 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(C(=O)C2CC=CC2)CC3)cn1 96187601 PLJGCNMZEGTNHU-UHFFFAOYSA-N 323.400 1.771 0 40 DDAB CCNC(=O)NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 97230790 CVOZXCOAKUGGFF-GFCCVEGCSA-N 315.377 1.369 0 40 DDAB CCN1C(=O)[C@@H]2[C@@H](c3ccccc3)N(C(C)(C)C)C(=O)[C@@H]2C1=O 140531450 QCEWTPJGSRWSLZ-MELADBBJSA-N 314.385 1.990 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc(F)cc1 96245808 DXIROVPFKPYTTR-UONOGXRCSA-N 321.352 1.679 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046130 XMDCVBMDUFVJNK-APHBMKBZSA-N 312.373 1.807 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)[C@@H]1CNC[C@H]1C)CC2 333271062 HPXRIZGHTCXPHL-IUODEOHRSA-N 318.417 1.487 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)N[C@@H]1CCc2ccccc21 95470256 RZVOGXXHLHTGIK-CQSZACIVSA-N 312.325 1.350 0 40 DDAB CC(C)Nc1ncnc2c1CCN(C(=O)c1ccncc1)CC2 96255520 IBODNWOTVSBKDI-UHFFFAOYSA-N 311.389 1.933 0 40 DDAB Cc1noc([C@H]2CO[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]32)n1 96216812 VKFMWTSLOTXOIO-HZSPNIEDSA-N 304.350 1.597 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)C4=CCCC4)C[C@@H]23)n1 96040855 BNQXERALZNYQSP-KFWWJZLASA-N 317.389 1.752 0 40 DDAB C[C@H](CNc1ncc(C(N)=O)cc1Cl)N1CCOC[C@H]1C 245339442 SWGYNZBKOYQRBY-NXEZZACHSA-N 312.801 1.355 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C(=O)O)c2cccnc2)C1 255979541 ISFDXNHYDDELLC-QWHCGFSZSA-N 321.377 1.806 0 40 DDAB C[C@](NC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)O)C1CC1 540703838 RLSLZZBPHCGTPU-MRXNPFEDSA-N 317.345 1.199 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](c2nnc3n2CCNC3)C1 257260848 LESCVSGBHAUVKG-NSHDSACASA-N 307.398 1.496 0 40 DDAB Nc1nc(N2CCO[C@@H]3CCCC[C@H]32)cc(-n2cccn2)n1 253370950 YQXVRZSKWOHCTC-VXGBXAGGSA-N 300.366 1.392 0 40 DDAB CCn1ncc(S(=O)(=O)N2CC[C@@H](c3ccn[nH]3)C2)c1C 257200176 ACGZIQDIEXHDTI-LLVKDONJSA-N 309.395 1.113 0 40 DDAB COCC(=O)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257277434 NXXPHHWZFXGXJR-OAHLLOKOSA-N 304.390 1.577 0 40 DDAB CN(C)C(=O)c1ccc([C@@H]2CN(Cc3ncc[nH]3)CCO2)nc1 257274982 NNMNROVZYOVVFI-AWEZNQCLSA-N 315.377 1.080 0 40 DDAB O=C(c1cnn2c1OCCC2)N1CCN(c2ccccn2)CC1 85555359 WYOOTNGCGMYCSU-UHFFFAOYSA-N 313.361 1.023 0 40 DDAB COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)on1 90706988 CKNOBJYBBBVTGY-UHFFFAOYSA-N 303.318 1.772 0 40 DDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccno1 575613032 SYHAOGISQFQPLO-UHFFFAOYSA-N 301.262 1.520 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cnn(C(C)C)c1 585275885 AQVTUKLDLUBYHY-INIZCTEOSA-N 322.409 1.221 0 40 DDAB Cc1noc(C2(NC(=O)Cc3ccc(O)cc3)CCOCC2)n1 585140177 NQPUVRJMDMNDCK-UHFFFAOYSA-N 317.345 1.448 0 40 DDAB CCCc1noc([C@@H](C)N2CCC(NS(C)(=O)=O)CC2)n1 69456031 DGYCUDCJZDZYDL-SNVBAGLBSA-N 316.427 1.097 0 40 DDAB COc1ncccc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 30306682 BAGXRGACEDVWRA-UHFFFAOYSA-N 317.389 1.355 0 40 DDAB CCCN(CCO)C(=O)C[C@H]1Sc2ccccc2NC1=O 32802721 BPGOQADVDPVHOL-CYBMUJFWSA-N 308.403 1.720 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H](C(C)C)N2CCCC2)CC1 72268887 LDAJXPHLSFBRJO-HZPDHXFCSA-N 311.470 1.022 0 40 DDAB OCCN1CCN(Cc2csc(Cc3ccccc3)n2)CC1 46055366 HMHHWCVREAVADB-UHFFFAOYSA-N 317.458 1.844 0 40 DDAB Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)n1 46141931 MBHKISOWGZTNJZ-AWEZNQCLSA-N 306.410 1.263 0 40 DDAB CCOC(=O)NCCC(=O)Nc1ccc(C(=O)OCC)cc1 56062742 IXYCMMGULCQCKT-UHFFFAOYSA-N 308.334 1.938 0 40 DDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC1CCN(C)CC1 1775963910 JKSWVROVLBGMOT-KKBVYLPWSA-N 305.466 1.706 0 40 DDAB biogenic,in-vitro O=C(NCc1nccn1Cc1ccccc1)N1CCC[C@H]1CO 74818104 OWGQURDMTQVUCS-HNNXBMFYSA-N 314.389 1.598 0 40 DDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3nccs3)cc21 74946153 KKJJEQLQDLNSDX-UHFFFAOYSA-N 311.344 1.389 0 40 DDAB O=C(Cc1ccccc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84502354 KTGVEEPZMQBRKK-CVEARBPZSA-N 322.836 1.940 0 40 DDAB CCCCn1nc2n(c1=O)C(=O)N(c1cccc(OC)c1)C2 1547201222 QPLQYYZIWYDRNN-UHFFFAOYSA-N 302.334 1.842 0 40 DDAB CCCC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 12184080 GENQBQBMMKWLNC-UHFFFAOYSA-N 300.362 1.755 0 40 DDAB C[C@@H](NC(=O)c1ccncc1)c1cc(=O)[nH]c(-c2cccnc2)n1 19458467 ANHYAULLBCWEQB-LLVKDONJSA-N 321.340 1.718 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccnc2)oc1=O 19496238 YHJOQCYYKIYYDF-AAEUAGOBSA-N 316.361 1.593 0 40 DDAB CCN(Cc1ccco1)C(=O)Cn1c(=O)n(C)c2ncccc21 19526653 HTWRUKUTMGTLLW-UHFFFAOYSA-N 314.345 1.377 0 40 DDAB CCOC(=O)CCC(=O)Nc1nc2c(s1)C(=O)NCCC2 208005076 KGFVVFIRBJYDDX-UHFFFAOYSA-N 311.363 1.101 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2C[C@H]3C[C@H]2CS3)c1C 575605312 DBBDWFZGTXWACX-WDEREUQCSA-N 301.437 1.398 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 6054936 SKHCAMCCAHLQMR-PPYMECGQSA-N 319.357 1.547 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N(C(C)C)C(C)C)c1 12863321 WLWJKDGQWOVJGS-UHFFFAOYSA-N 308.378 1.818 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(C[C@H]3COCCO3)C2)nc1 1888849842 AHPHVPRNZUSFPS-GJZGRUSLSA-N 306.410 1.101 0 40 DDAB Cc1cnccc1OCC1CCN(CCn2nccn2)CC1 1889091899 GTPCWSZPPXNHAK-UHFFFAOYSA-N 301.394 1.773 0 40 DDAB Cc1sc2nc(CSc3n[nH]c(N)n3)[nH]c(=O)c2c1C 13571103 UZGCAXNUIGJKCK-UHFFFAOYSA-N 308.392 1.594 0 40 DDAB COC(=O)CCCS(=O)(=O)N1CCO[C@@H](C(C)(C)C)C1 390835042 BPASQPAOFUMMMX-LLVKDONJSA-N 307.412 1.016 0 40 DDAB CC1CC(C(=O)N2CC3(CCN(C(=O)c4cscn4)C3)C2)C1 1018926665 XKAJKVDRGWNZLS-UHFFFAOYSA-N 319.430 1.864 0 40 DDAB Cc1ccc(C(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)o1 1614937182 JIMGOEMQAVLTCY-GOEBONIOSA-N 304.390 1.771 0 40 DDAB O=C(N1CC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1)C1(F)CCC1 1565548221 VEVOMQNMQRBFSA-SWLSCSKDSA-N 320.368 1.541 0 40 DDAB C[C@H]1SCC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 2711131 KQHXSIYWCLBPPE-SSDOTTSWSA-N 314.313 1.394 0 40 DDAB CC(=O)N1CCn2c(COCc3ccncc3)cnc2[C@@H]1C 2055729887 XPSFDIPZEWVJSP-LBPRGKRZSA-N 300.362 1.918 0 40 DDAB Cn1ncc2c(NC[C@](C)(O)Cc3ccsc3)ncnc21 1775972053 AIHIFPYEKQFGHS-CQSZACIVSA-N 303.391 1.830 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 206977692 PHWQRJLQWSOZSM-GFCCVEGCSA-N 322.361 1.665 0 40 DDAB COCCCNC(=O)CN1CCN(Cc2ccccc2F)CC1 40460663 ZKSOSQBKQIXUMH-UHFFFAOYSA-N 323.412 1.096 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)CCCc1nc(C(C)C)no1 40530147 WKJVBOGZIRJYAL-LLVKDONJSA-N 310.398 1.547 0 40 DDAB CCN1CCN(CC(=O)N2N=CC[C@@H]2c2ccccc2)CC1 20504009 GZANWKKCKFWEGF-MRXNPFEDSA-N 300.406 1.583 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2ccc(O)c(Cl)c2)n1 21495554 XFOUGZFVQKKPID-UHFFFAOYSA-N 311.750 1.782 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2CSC(C)(C)N2C=O)cc1 405567 PCFKNNHPMFHAKH-GFCCVEGCSA-N 322.386 1.722 0 40 DDAB COc1ccccc1CCNC(=O)c1nc2ccccc2c(=O)[nH]1 12296810 CAFNKYWPLMENLW-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB biogenic Cc1nnc(SCC(=O)N(C)C)n1-c1ccc(N(C)C)cc1 1332980 ZSQVYHNEKLLXCE-UHFFFAOYSA-N 319.434 1.822 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)NC[C@H]1CC=CCC1 78942454 DMHCSPVGKRHDLK-JTQLQIEISA-N 307.316 1.663 0 40 DDAB O=C(CCNC1(c2nccs2)CCCC1)N1CCOCC1 78970486 NTJNNOMAJXSOEN-UHFFFAOYSA-N 309.435 1.751 0 40 DDAB CC(C)[C@H](CNC(=O)Cc1cccc(F)c1)N1CCOCC1 41934399 JVDIUORIMHBZAD-INIZCTEOSA-N 308.397 1.841 0 40 DDAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnnn2C)c1C 2624065 ALHJXYFZRIGWEC-SNVBAGLBSA-N 323.422 1.811 0 40 DDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1nncs1 22705066 VKWBMGBGWYECFI-UHFFFAOYSA-N 320.418 1.809 0 40 DDAB CCCCCC[C@H](C)NC(=O)c1ccc(=O)n(CCOC)n1 22902492 JVAJYCLOGKSJEN-ZDUSSCGKSA-N 309.410 1.978 0 40 DDAB O=c1[nH]c(CCN(C[C@@H]2CCOC2)C2CC2)nc2ccccc12 54175124 IVPSHDQRBFVLSM-ZDUSSCGKSA-N 313.401 1.967 0 40 DDAB OC[C@@H](O)[C@H](O)[C@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1 4962352 KYYGCRDBPRURTP-HYVNUMGLSA-N 324.323 1.172 0 40 DDAB O=C(O)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)O 6345316 BKEZUXWHLDKFAS-LBPRGKRZSA-N 302.286 1.889 0 40 DDAB CC(C)(C)C(=O)NC1CCN(CC(=O)NCc2ccco2)CC1 6823411 BXXQUYDAKVCUAM-UHFFFAOYSA-N 321.421 1.523 0 40 DDAB CC(C)NC(=O)COC(=O)CCc1nc(-c2cccs2)no1 7316518 NCJAUAZWGGVYJV-UHFFFAOYSA-N 323.374 1.799 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)n1 54674117 IZGDHNPSDUVIGR-CYBMUJFWSA-N 317.393 1.677 0 40 DDAB Cc1noc(C)c1C[S@](=O)[C@@H](C)C(=O)NCC(F)(F)F 24757276 VTIZJRLLNOOUOG-FFVOIRBGSA-N 312.313 1.607 0 40 DDAB CCOC(=O)CSc1ncc(OC)c(OC(=O)N(C)C)n1 1391895 ANFOWYMTTBXSRQ-UHFFFAOYSA-N 315.351 1.201 0 40 DDAB CC[C@@H]1CN(CCC(=O)N2CCCCC2)CCN1C[C@H](C)O 106906832 DLKCXXKKPXZEDD-JKSUJKDBSA-N 311.470 1.166 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NCc1ccccn1 9858146 WDKLGHLSXAJKBW-UHFFFAOYSA-N 317.776 1.710 0 40 DDAB CCN1C(=O)C[C@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O 24975719 ZUDHBPJVORNGOK-LBPRGKRZSA-N 323.780 1.358 0 40 DDAB CCCN(C(=O)Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 57485672 DTPICWOPRDUABL-OAHLLOKOSA-N 309.431 1.963 0 40 DDAB CCCCN(CC)C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426458 JBRKHRMTACDQDW-UHFFFAOYSA-N 323.418 1.410 0 40 DDAB COc1ncccc1NC(=O)NCc1nnc2n1CCCCC2 48280203 SKOYJUJYGPQOOJ-UHFFFAOYSA-N 316.365 1.730 0 40 DDAB c1cn(CCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cn1 48275530 SCLWUVSZPYNXAH-UHFFFAOYSA-N 311.345 1.792 0 40 DDAB Cc1cc(C)c([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1C 22606761 CDDLRMOOHMXQMS-ZDUSSCGKSA-N 312.435 1.680 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C 44945148 VLSCBYJDJQBOCF-SNVBAGLBSA-N 319.283 1.493 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)c1cccc(F)c1 58324595 TVXGFAUHBQWXNR-OAHLLOKOSA-N 305.353 1.568 0 40 DDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NC1CCCC1 36689214 VNZBPBIFWDHNNC-AWEZNQCLSA-N 315.373 1.208 0 40 DDAB CCNC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 2402385 WMNUNRBNDLTWKF-UHFFFAOYSA-N 305.334 1.823 0 40 DDAB Cc1cccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 59423609 DMHVQPVCDLOTTD-ZDUSSCGKSA-N 310.419 1.043 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2cnccn2)CC1 11545832 YXDMQSKDQLSZAU-UHFFFAOYSA-N 308.345 1.315 0 40 DDAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1cccc(C(F)(F)F)c1 37032273 SGYUJGDDELVTQA-KPXOXKRLSA-N 302.296 1.605 0 40 DDAB COc1ccccc1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 3487713 LZFUHSUXBGFMRM-GFCCVEGCSA-N 319.361 1.600 0 40 DDAB COC(=O)c1cnc(NC(=O)CCNC(=O)c2ccco2)s1 12945369 NHCURUOUSJONCN-UHFFFAOYSA-N 323.330 1.281 0 40 DDAB CONC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 8768064 CIACXQDCUWRJLO-UHFFFAOYSA-N 324.333 1.918 0 40 DDAB CCCCn1nc(C(=O)OCC(=O)NC2CCCC2)ccc1=O 39572140 VMXNGCJBBQBMTD-UHFFFAOYSA-N 321.377 1.259 0 40 DDAB CC(C)c1nc(CNC2CCN(S(C)(=O)=O)CC2)cs1 65540275 CGLDJMGISXDOCA-UHFFFAOYSA-N 317.480 1.780 0 40 DDAB CN(Cc1ccsc1)C(=O)COn1nnc2ccccc21 65553801 JPZIEAYSSVRLNM-UHFFFAOYSA-N 302.359 1.580 0 40 DDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 14136475 NYNHKJOLGHTPGP-OAHLLOKOSA-N 305.334 1.105 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NN2CCCCC2)cc1 6509949 PEVSFNDKNVWFRK-UHFFFAOYSA-N 311.407 1.068 0 40 DDAB COC(=O)c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1O 66635917 FSFDCBCIARNBIM-UHFFFAOYSA-N 312.285 1.702 0 40 DDAB O=C(Cc1noc2ccccc12)NCc1ccc(C(=O)O)o1 96459884 IBDRMZUZTCEBIL-UHFFFAOYSA-N 300.270 1.978 0 40 DDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)CS2 7770002 YBXRVCLWNMMIEU-ABAIWWIYSA-N 319.386 1.178 0 40 DDAB Cc1cccc(CN2CCN(c3cncc4nnnn34)CC2)c1 69191385 SMCGCENTFKDUTN-UHFFFAOYSA-N 309.377 1.150 0 40 DDAB Cn1nc(C(=O)Nc2cc(Cl)ccc2C(=O)O)ccc1=O 8266970 VIGJGZVVBMWUAZ-UHFFFAOYSA-N 307.693 1.384 0 40 DDAB Clc1cccnc1N1CCN(c2ncnc3[nH]cnc23)CC1 91457115 ZGKVNXFGZSXECQ-UHFFFAOYSA-N 315.768 1.728 0 40 DDAB COc1ccccc1CC1CCN(CCC(=O)NC(N)=O)CC1 69451709 SEIOHBYKQPQGFW-UHFFFAOYSA-N 319.405 1.535 0 40 DDAB CCCn1nnnc1C[S@](=O)[C@H](C)C(=O)Nc1ccccc1 69565918 NAASGHXTEQPZAO-RKFFSXRUSA-N 321.406 1.359 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)NCCN2CCOCC2)c1C 20106265 AIUZNXPGKRXAQO-OAHLLOKOSA-N 306.406 1.519 0 40 DDAB C[C@]1(c2ccccn2)NC(=O)N(Cc2nnsc2Cl)C1=O 69744564 SKJFVHXMPNKYSL-GFCCVEGCSA-N 323.765 1.554 0 40 DDAB C[C@H](CC(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1)n1cccc1 69819051 MNBZBOISBPLOJX-CVEARBPZSA-N 321.465 1.990 0 40 DDAB CC(=O)Nc1cccc(OCCNC(=O)N2CCSCC2)c1 71804025 IKDKWVQXYZIKDN-UHFFFAOYSA-N 323.418 1.782 0 40 DDAB CCOC(=O)c1csc(NC(=O)c2cn3cccnc3n2)n1 71896361 DFMBEEBJWDURBT-UHFFFAOYSA-N 317.330 1.615 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(C2CC2)CC1 83815650 FPSMHDSXZJLQAJ-UHFFFAOYSA-N 316.401 1.747 0 40 DDAB O=C(CCc1nc[nH]n1)Nc1nc(Cc2ccc(F)cc2)n[nH]1 97080781 CNEDYGSXGNITEN-UHFFFAOYSA-N 315.312 1.224 0 40 DDAB C[C@@H]1OCC[C@@H]1Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 97046029 ZOWOIQHVJQWYPP-AAEUAGOBSA-N 321.402 1.865 0 40 DDAB C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](n2cncn2)C1 72287475 WCNPREOHXWPJKC-CHWSQXEVSA-N 301.350 1.304 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CN(C)C2CC2)n1 72253032 OFNGJZFFWHVCSG-INIZCTEOSA-N 304.438 1.975 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)N1CCOCC1 72234161 FVGSTDIJHHHQHP-GJZGRUSLSA-N 320.437 1.421 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)COCCc1ccccc1)C2 72279052 XRQINTIESRIFOX-MRXNPFEDSA-N 313.401 1.882 0 40 DDAB CC(C)[C@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 72300664 GJENMPWVNGUECJ-SUMWQHHRSA-N 315.373 1.237 0 40 DDAB CCN(CC)C(=O)CCCNC(=O)[C@H]1C[C@@H]2CCCCN2C1 72310137 NLXXAJZFVOKYJU-GJZGRUSLSA-N 309.454 1.626 0 40 DDAB CC(C)CSCCN1CCC[C@@H]1C(=O)N1CCOCC1 95976124 TZCHHNYDWCHTTC-CQSZACIVSA-N 300.468 1.699 0 40 DDAB CCS(=O)(=O)NCCCN1CCSc2ccccc21 95973412 WWKGJLJTFVIUAM-UHFFFAOYSA-N 300.449 1.928 0 40 DDAB COCCOCCCNC(=O)[C@H](C)n1cnc2ccccc21 89478643 YOBRNXZVZIOXHK-ZDUSSCGKSA-N 305.378 1.767 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)c2cccnc12 89626940 QMCUOUPRNNQNSN-GFCCVEGCSA-N 306.387 1.953 0 40 DDAB O=C(c1ccc2cc[nH]c2c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 89780916 VVLKVWJHLCISDW-IAGOWNOFSA-N 313.401 1.839 0 40 DDAB Cc1ccoc1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 89701945 TXVLWMQTRFZRGJ-UHFFFAOYSA-N 314.341 1.892 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1ccc(C)nc1)CC2 89986357 FYBBGNWVRZEOBB-JKSUJKDBSA-N 318.417 1.711 0 40 DDAB CCCc1ncc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)s1 76053018 YKBWTYGTERZWJK-QWHCGFSZSA-N 323.462 1.888 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 76058835 IHZGUAYDSNRCSE-BLLLJJGKSA-N 320.393 1.444 0 40 DDAB COc1ccc(Cc2c(N)nc(N3CCOCC3)nc2N)cc1 38882481 UZLDQNQSANTKCW-UHFFFAOYSA-N 315.377 1.077 0 40 DDAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(N)n2C)c1 32776981 HQFNGICLPKFMRU-UHFFFAOYSA-N 320.378 1.087 0 40 DDAB CCOC(=O)NCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 217360005 HPWOPXWNESFZLI-LLVKDONJSA-N 315.395 1.106 0 40 DDAB Cc1ccc(-c2snnc2C(=O)N2CCN(C)CC2)cc1 72240039 FAOBBZMNRQDVRT-UHFFFAOYSA-N 302.403 1.901 0 40 DDAB COc1ccc2c(c1)OC[C@H]2CC(=O)N[C@@H]1COC[C@H]1OC 565006078 XNXQDRGDIZMSGE-WDBKCZKBSA-N 307.346 1.091 0 40 DDAB CCc1cc(N2CCN(Cc3noc(CC)n3)CC2)ncn1 78292484 KJOCAYZTQRALPA-UHFFFAOYSA-N 302.382 1.307 0 40 DDAB CCOc1cc(/C=C/C(=O)NCCCNC(C)=O)ccc1OC 36393125 WVROUHSTVHDFGU-VQHVLOKHSA-N 320.389 1.750 0 40 DDAB CC(C)CC(=O)N1CCC(Nc2cc(C(N)=O)ccn2)CC1 78987878 AXYBSNZVLAZDJQ-UHFFFAOYSA-N 304.394 1.630 0 40 DDAB O=C(c1cscn1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72351206 PJRLYDFHYNKISC-SECBINFHSA-N 314.374 1.829 0 40 DDAB O=C(O)Cc1nc(COc2ccc(Br)cc2)n[nH]1 40175853 HIEVIVVDDMJKQV-UHFFFAOYSA-N 312.123 1.773 0 40 DDAB Cc1cccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 224251393 WQQAHOIBCJWXFZ-UHFFFAOYSA-N 311.389 1.789 0 40 DDAB Cc1c[nH]/c(=N/C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)[nH]1 96500648 BIFQTLQNZPAEKO-UHFFFAOYSA-N 321.402 1.503 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1)CC[C@H]2OC 96108521 XOYWVNVPSKPZDI-ARFHVFGLSA-N 324.446 1.416 0 40 DDAB CN([C@@H]1CCN(c2ccccc2Cl)C1=O)S(C)(=O)=O 96405540 YRZDXRSRLDUDJE-LLVKDONJSA-N 302.783 1.337 0 40 DDAB CCOc1c(F)cccc1C(=O)NCc1cnc(N(C)C)n1C 96431043 JHDOENNJFCVSSF-UHFFFAOYSA-N 320.368 1.954 0 40 DDAB Cc1ccoc1C(=O)N1CCc2ncc(CN(C)C)n2CC1 96196800 GPYDBZNQZFOXFV-UHFFFAOYSA-N 302.378 1.545 0 40 DDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1C(=O)c1ccccc1 96198739 DZTNOJGXYGGAOB-LSDHHAIUSA-N 318.373 1.077 0 40 DDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cnc[nH]1 96423775 NUFHYGFQDSSRIZ-AWEZNQCLSA-N 313.405 1.350 0 40 DDAB COCCn1c2c(ccc1=O)C[C@H](Nc1ncccn1)CC2 96189673 QPINNSASSGSXTB-CYBMUJFWSA-N 300.362 1.254 0 40 DDAB Cc1occc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 96055746 GUKAUZZCKFWVHN-UONOGXRCSA-N 314.345 1.342 0 40 DDAB Cc1ccnc([C@@H](NS(=O)(=O)c2ccc(N)cc2)C2CC2)n1 97376024 HEKCPOJURRDXNB-AWEZNQCLSA-N 318.402 1.797 0 40 DDAB O=C(C1CC1)N1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 96107147 AOMPNERIKVSFGU-KGLIPLIRSA-N 320.414 1.738 0 40 DDAB CC(C)N1CCc2ncn(C)c2[C@@H]1C(=O)NCc1ccncc1 96264925 PSMSKPBNJIAIGR-MRXNPFEDSA-N 313.405 1.439 0 40 DDAB Cn1cc(CN2CC3(C[C@@H](Oc4ccccn4)CS3)C2)cn1 248147729 SLDUHOVARDMOCP-CQSZACIVSA-N 316.430 1.954 0 40 DDAB Cc1c(CCC(=O)N2CCO[C@@H](c3cnccn3)C2)cnn1C 257322244 WFEKEXCINAERBO-OAHLLOKOSA-N 315.377 1.051 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CC[C@H]([C@H](C)O)C1 540957490 VHIWQJWSPROXNC-AVGNSLFASA-N 305.374 1.791 0 40 DDAB CC(=O)N1CC2(CCN(Cc3[nH]cnc3C)CC2)C[C@]1(C)CO 257211473 BYZUYVPFSWOQAK-MRXNPFEDSA-N 320.437 1.304 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)c1 257236812 HDWLZFXUWRSXRG-ZIAGYGMSSA-N 304.394 1.193 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1 257315156 VAEABXKEKNLYOR-AWEZNQCLSA-N 316.361 1.411 0 40 DDAB O=C(O)c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)cn1 263571203 JCAWLYWKZRMPTI-AWEZNQCLSA-N 304.346 1.811 0 40 DDAB Cc1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)no1 69600152 SGAGMOIPGORDIN-CYBMUJFWSA-N 317.393 1.998 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccc2nc[nH]c2c1 585287720 CDJCONLPLXAAEH-KFWWJZLASA-N 319.361 1.064 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N(C)Cc2cccc(C)c2)[C@@H]1O 585280597 KYVGTIXJXOOMIY-ZACQAIPSSA-N 318.417 1.571 0 40 DDAB CCN1CCC[C@H](NC(=O)Nc2ccccc2CC(=O)NC)C1 69417216 SLFHZTTWQMDAIM-AWEZNQCLSA-N 318.421 1.581 0 40 DDAB Cc1nc(C)c(CNS(=O)(=O)c2c(C)noc2C)s1 86071768 JFVPYYVXYOUNIT-UHFFFAOYSA-N 301.393 1.843 0 40 DDAB C[C@H](C(=O)NCc1ccccc1F)N(C)CCNC(=O)N(C)C 95456021 OAXVJEOFFSYKTL-GFCCVEGCSA-N 324.400 1.033 0 40 DDAB C[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1ccco1 12145407 ZHBHHXHADQJHKA-VIFPVBQESA-N 319.342 1.976 0 40 DDAB CC(=O)Nc1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 12408668 ANVXCLBMZMMYBT-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB COCCC(=O)N1CCC[C@@H](c2cc(CN(C)C)n(C)n2)C1 19709035 XROCLNNPKHJGTJ-CYBMUJFWSA-N 308.426 1.224 0 40 DDAB CC(C)CCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](C)C3 19818746 JJNWHNOJVXUBDJ-SNVBAGLBSA-N 315.373 1.896 0 40 DDAB Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 21036719 ZKNJKXUQFSKLNR-UHFFFAOYSA-N 306.343 1.841 0 40 DDAB in-vitro COc1ccc(CN2CCN(c3ncc(F)cn3)C[C@@H]2C)cn1 2086903796 AHWXHXTWKLCYJX-LBPRGKRZSA-N 317.368 1.730 0 40 DDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc[nH]c1)CCC2 1565545257 YNOJPGDCBUQAQT-UHFFFAOYSA-N 315.377 1.349 0 40 DDAB C[C@@H](C(=O)NCCOc1ccc(F)cc1)n1ncccc1=O 38547254 DZDSLVODHNBHNN-NSHDSACASA-N 305.309 1.139 0 40 DDAB C[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)N1C[C@@H](C)O[C@H](C)C1 40087314 JCHONXYSGWIYGZ-QJPTWQEYSA-N 306.410 1.515 0 40 DDAB O=S(=O)(NCCCOCc1ccco1)N1CCCCC1 40105060 SIHURBZIHOHNBS-UHFFFAOYSA-N 302.396 1.507 0 40 DDAB CC(=O)N[C@@H](CC(=O)N[C@H](C)Cn1cccn1)c1cccs1 31398393 KOLREMARFKIDRO-YPMHNXCESA-N 320.418 1.717 0 40 DDAB CCOC(=O)c1cn2nc(I)ccc2n1 40448037 IOFOQBGKWGVLDW-UHFFFAOYSA-N 317.086 1.511 0 40 DDAB CNC(=O)CCS(=O)(=O)Cc1noc(-c2cccc(C)c2)n1 40529006 MKARQPLZOMIIBO-UHFFFAOYSA-N 323.374 1.096 0 40 DDAB Cn1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cc2ccccc21 20727435 AKAASDYLBXBIEY-UHFFFAOYSA-N 311.385 1.873 0 40 DDAB CC(C)NC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 20719232 XSIVZUAZGNBNHS-UHFFFAOYSA-N 305.290 1.516 0 40 DDAB NC(=O)[C@H]1CN(C(=O)CCc2cccs2)c2ccccc2O1 32674799 IOMYWNWHOSDRIC-CQSZACIVSA-N 316.382 1.960 0 40 DDAB CCOC(=O)c1cc(O[C@@H](C)C(=O)NC)cc(C(=O)OCC)c1 32741660 DAAUNTYCCDAWLF-JTQLQIEISA-N 323.345 1.553 0 40 DDAB O=C(COc1ccccc1)NCc1ccc(-n2cncn2)cc1 32935129 OERSMDUEARLXIV-UHFFFAOYSA-N 308.341 1.963 0 40 DDAB COCCn1nc(C(=O)N(C)Cc2ccc(C)cc2)ccc1=O 21924156 OCTISRZFXWHKDP-UHFFFAOYSA-N 315.373 1.470 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2cccc(C)c2)n1 568949 UZVPMZBKGUCHPA-UHFFFAOYSA-N 304.379 1.518 0 40 DDAB Cc1ccc(OCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 61650508 AOZPZCPGQWSGDK-GOEBONIOSA-N 304.390 1.353 0 40 DDAB Cc1nc2ncnn2c(N2CCc3nc(N)sc3C2)c1C 79022765 KLFVPNVYUPMBTN-UHFFFAOYSA-N 301.379 1.343 0 40 DDAB CCN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 22913142 BYOBIYQVXKSOPE-UHFFFAOYSA-N 308.426 1.082 0 40 DDAB C[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccc2c(c1)OCO2 3510850 AERZXAHKRLDRBO-SNVBAGLBSA-N 317.297 1.870 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnnn2C)c1 3513043 XOJPTSWYUKOXOF-VIFPVBQESA-N 305.363 1.532 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(O)cc1O 3529504 GFOBGAOVBSNXHE-MFKMUULPSA-N 307.346 1.950 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(F)(F)F)C2=O 3550877 AJAHGIVMAPHZOZ-QPUJVOFHSA-N 321.299 1.166 0 40 DDAB CNC(=O)C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 23180891 XXHYIRVZFRSZTG-UHFFFAOYSA-N 318.373 1.333 0 40 DDAB O=C(Nn1cnnc1)c1ccc(I)cc1 3093709 OHDBKNHGQSMILL-UHFFFAOYSA-N 314.086 1.267 0 40 DDAB CN1CCN(C(=O)Cn2cc(NC(=O)CC(C)(C)C)cn2)CC1 95351003 UZSSOBPXOHXBIM-UHFFFAOYSA-N 321.425 1.032 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 42759246 YQZSFLOMFUPJGQ-UHFFFAOYSA-N 317.455 1.432 0 40 DDAB CCN(C(=O)C1=NN(c2ccccc2)C(=O)CN1)c1ccccc1 24864708 PJVNJINKFFYBJI-UHFFFAOYSA-N 322.368 1.989 0 40 DDAB COc1ncccc1CNc1cc(N2CCC[C@H]2CO)ncn1 72276068 HGCHQGCAQRNUCV-ZDUSSCGKSA-N 315.377 1.453 0 40 DDAB O=C(c1ccno1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108526656 VUCLTWHJONCXNY-UHFFFAOYSA-N 313.361 1.962 0 40 DDAB CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H](O)CN1 37798604 MTWWKOXMEVFHAP-RYUDHWBXSA-N 313.195 1.130 0 40 DDAB CC(=O)Nc1c(C)ccc(NC(=O)CN2CSCC2=O)c1C 55887966 DVWWHVFNSVOXGT-UHFFFAOYSA-N 321.402 1.733 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CCN(c2cnccn2)CC1 25343062 TVIQVMWMSDYZNN-UHFFFAOYSA-N 320.356 1.382 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CCO1 25833052 YWRDKDHHMHPWPU-AWEZNQCLSA-N 319.405 1.182 0 40 DDAB COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1 22074684 DJIQHQYIPAYBKR-UHFFFAOYSA-N 320.414 1.675 0 40 DDAB Cc1ccsc1C(=O)NCCn1ncc2c1c(C)nn2C 57279811 GCRXIXBHDSSDSW-UHFFFAOYSA-N 303.391 1.878 0 40 DDAB COC(=O)[C@@]1(C(F)(F)F)N=C2SC=CN2C(N(C)C)=N1 108452833 RCUBGMQNEDAEBN-VIFPVBQESA-N 308.285 1.225 0 40 DDAB CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CCCCC1 57727707 LTFBJBWCTYPWNX-UHFFFAOYSA-N 309.410 1.888 0 40 DDAB O=C(CCCn1cnc2ccccc2c1=O)NC[C@@H]1CCCO1 27027647 MTZLZOLJYFQWKI-ZDUSSCGKSA-N 315.373 1.472 0 40 DDAB CN1CCN(CC[C@H]2CCCCN2C(=S)NC2CC2)CC1 22936561 YUKGICNOFXCGTA-OAHLLOKOSA-N 310.511 1.515 0 40 DDAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1CCOC1)c1ccccc1 48246406 IFOHPVATAXRSLT-UKRRQHHQSA-N 314.389 1.845 0 40 DDAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCCCCC1 58202957 FXNTVJIGMSXOSG-UHFFFAOYSA-N 301.346 1.906 0 40 DDAB COc1cccc(CCN2C[C@H]3CCNCC[C@H]3S2(=O)=O)c1 107183795 FEAOWCJTXYRJLH-GDBMZVCRSA-N 324.446 1.251 0 40 DDAB CC1(C)[C@@H]2C[C@H]3[C@H](C(=O)O)[C@H](C(=O)O)CC[C@@]3(C2)[C@@H]1OC=O 104134179 OKHXQTPTECWEFQ-DKYZRSBBSA-N 310.346 1.776 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1 3348405 IOXYSXUCRACOFJ-SNVBAGLBSA-N 315.329 1.626 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CCOC2)c1 45743359 FXWSMNASCYANML-JTQLQIEISA-N 301.364 1.019 0 40 DDAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnnn1C 2655773 VVIOGRMBIVZLQV-UHFFFAOYSA-N 305.407 1.739 0 40 DDAB CCn1c(SCC(=O)NC(C)C)nnc1-c1ccncc1 3501644 UTJGUHNJONERGZ-UHFFFAOYSA-N 305.407 1.977 0 40 DDAB COC(=O)[C@@](O)(NC(=O)OCc1ccccc1)C(F)(F)F 3622591 MOLRVRSQBNZTTO-NSHDSACASA-N 307.224 1.337 0 40 DDAB CCc1ccccc1-n1nnnc1SCC(=O)NC(C)C 5015471 BALIASSWEHQZIA-UHFFFAOYSA-N 305.407 1.841 0 40 DDAB CCOc1cc2c(cc1CNC(=O)CN(C)C(C)=O)O[C@@H](C)C2 65440938 QQVCKFZSZQDLTJ-NSHDSACASA-N 320.389 1.503 0 40 DDAB O=C(CN1CCOCC1)N[C@H](c1ccccc1)c1nccs1 65491582 SYGMGWPJPBWNQZ-OAHLLOKOSA-N 317.414 1.681 0 40 DDAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1 6347536 HXKWFKQNSNLKQK-UHFFFAOYSA-N 317.301 1.737 0 40 DDAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2cnc(C)cn2)c1 6348859 PJZXGTREKSHCMU-NSHDSACASA-N 315.329 1.978 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 14083169 KJHBXRHWNFIXOC-UHFFFAOYSA-N 315.329 1.284 0 40 DDAB CCCNC(=O)CCNC(=O)c1oc2c(c1C)C(=O)CCC2 65517840 CRYHHGUXZRYARB-UHFFFAOYSA-N 306.362 1.753 0 40 DDAB O=C(NCC(F)(F)F)N1CCN(c2cccc(O)c2)CC1 96997649 UJWWHOSBJKTNFN-UHFFFAOYSA-N 303.284 1.786 0 40 DDAB COc1ccc(-c2nc(-c3ccncc3)no2)cc1-n1cnnn1 97081198 OWUVWRXRACUPQK-UHFFFAOYSA-N 321.300 1.783 0 40 DDAB O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(O)cc1F 97046100 FDJBRJSGGUFAHR-ZETCQYMHSA-N 320.242 1.424 0 40 DDAB C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 68820518 AQDHYFYDZILMRB-SNVBAGLBSA-N 314.382 1.735 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCCc2nc(C)no2)c1 71869812 BRFJRQBGTPBYLN-AWEZNQCLSA-N 317.393 1.897 0 40 DDAB C[C@@H](O)CN1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C 71879592 VNEGAGCMQMUXFN-HUUCEWRRSA-N 311.470 1.212 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCOc2cccc(F)c2)CC1 70011512 SKXWTZGCOXAPJU-OAHLLOKOSA-N 324.396 1.510 0 40 DDAB O=c1cc2c(nn1CCS(=O)(=O)c1ccccc1)CCC2 69485337 OHYCKGPXPSULLO-UHFFFAOYSA-N 304.371 1.206 0 40 DDAB CCCCn1nnnc1CN1CCC[C@@H]1c1noc(CC)n1 72279349 AMGOIXUTPCAPMI-LLVKDONJSA-N 305.386 1.756 0 40 DDAB CO[C@@H](C(=O)NS(=O)(=O)c1cccnc1)c1ccccc1 69573239 PGQGSGLKSMHIOP-CYBMUJFWSA-N 306.343 1.274 0 40 DDAB O[C@@H](CNCCn1cccn1)CO[C@H]1CCCc2ccccc21 72254035 LILPTWXYJDHBLD-WMZOPIPTSA-N 315.417 1.928 0 40 DDAB Cc1nc(CN2CCC[C@H](NCCOCC(F)(F)F)C2)no1 69872043 CJTLHYCGALKQJK-NSHDSACASA-N 322.331 1.511 0 40 DDAB CC[C@H](C)[C@H](C)N(C(=O)CN1CCS(=O)(=O)CC1)C1CC1 69878060 IXLWJQCXVCNGNN-STQMWFEESA-N 316.467 1.142 0 40 DDAB CN1CCC[C@@H](CSc2nnnn2-c2ccc(O)cc2)C1 69978173 UPLJCBVRIOHZPI-LLVKDONJSA-N 305.407 1.802 0 40 DDAB CC(C)COC(=O)N1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 92374469 MDYAFTCXRNSNSS-KGLIPLIRSA-N 312.410 1.738 0 40 DDAB CN(C)c1nc(Cn2nnc(-c3ccccc3Cl)n2)ns1 95426046 ANPPGLJUDSAWCG-UHFFFAOYSA-N 321.797 1.959 0 40 DDAB Cn1ccnc(NCCc2nc(C(F)(F)F)cs2)c1=O 95962028 NZPJXPPAHHGEHE-UHFFFAOYSA-N 304.297 1.910 0 40 DDAB CCOc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)cn1 95975288 MZYJZBVZNDMMGD-NSHDSACASA-N 301.350 1.882 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)C2 95960928 PHMSHQMWTGPSNL-SGMGOOAPSA-N 305.374 1.882 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc3[nH]ccc23)O1 95986139 GPUYWDMNBMJJFV-XHDPSFHLSA-N 315.373 1.534 0 40 DDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCc3cccs3)C2)C1=O 89914258 SFKQYWVWCCSJEV-WBMJQRKESA-N 321.446 1.943 0 40 DDAB CCCN(C(=O)CCc1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 89955585 ODALXBXRMLNMJB-CYBMUJFWSA-N 313.419 1.946 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCOC1)c1ccc2c(c1)CC(=O)N2 89905043 SJCXYFLELYYPGC-MNOVXSKESA-N 303.362 1.578 0 40 DDAB Cc1nc(C(=O)N2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)c[nH]1 76051438 OZMVGSARPPHCGN-LLVKDONJSA-N 318.381 1.347 0 40 DDAB Cc1cc(F)cc2[nH]c(C(=O)O[C@H]3CCS(=O)(=O)C3)cc12 76016910 BZEWZBUPIDRXGJ-JTQLQIEISA-N 311.334 1.959 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCCCOC(C)C)c1 24262349 LEPGFIOZUCBKDL-UHFFFAOYSA-N 315.391 1.567 0 40 DDAB c1cn2[nH]c(=N[C@H]3CCN(Cc4cncs4)C3)ccc2n1 548678045 XZPAEEMVLOMPOJ-NSHDSACASA-N 300.391 1.294 0 40 DDAB CCN(CC)[C@H]1CCN(Cc2ccc3c(c2)NC(=O)CO3)C1 507114863 ALXURIXWVQDTOS-AWEZNQCLSA-N 303.406 1.934 0 40 DDAB CCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(C)C 35485343 LVRRMZXZOBKEJC-HOTGVXAUSA-N 317.433 1.368 0 40 DDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](O)C(C)(C)C2)c1 1521381409 JKPBGBXDMSJOFP-AWEZNQCLSA-N 318.373 1.750 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1(COC)C(=O)O 218516453 QKJBZRSCNKITQT-OUCADQQQSA-N 316.350 1.444 0 40 DDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C(N)=O)c1ccccc1)C2 79427341 WKMKPFUZCWNEMJ-SJORKVTESA-N 324.380 1.950 0 40 DDAB CCCn1nccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 32611532 BVSYBPZBFZCVQJ-UHFFFAOYSA-N 316.361 1.484 0 40 DDAB CCNS(=O)(=O)c1ccc(N[C@H](C)CC)c(C(=O)O)c1 217538268 OVBXJMGUNAXNTK-SECBINFHSA-N 300.380 1.893 0 40 DDAB Cc1cc(S(=O)(=O)NC2CC2)cc2c1N(C)C(=O)C2(C)C 71195960 BJWCQPJTLROQKV-UHFFFAOYSA-N 308.403 1.690 0 40 DDAB COc1ccccc1C/C(C)=C/C(=O)NCCS(C)(=O)=O 78606505 FPBWSMXHNCVKIZ-VAWYXSNFSA-N 311.403 1.345 0 40 DDAB Cn1nccc1CN1CCc2nc(-c3ccccn3)nc(O)c2C1 72339896 NLGGXTCOHYZCGC-UHFFFAOYSA-N 322.372 1.536 0 40 DDAB CCOCCCNC(=O)c1ccn(Cn2nc(C)cc2C)n1 35670827 WIIQVQPWLJEADQ-UHFFFAOYSA-N 305.382 1.359 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)COC 218467360 FQJUQKKVUJOQFL-BFHYXJOUSA-N 317.838 1.832 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1 76061992 SVOUPLCPMYUYGU-QWHCGFSZSA-N 312.391 1.018 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc4ccccc4c3)[C@H]2C1 40166815 IWCBSXPVIDXOSQ-KGLIPLIRSA-N 318.423 1.700 0 40 DDAB COc1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cn1 40288615 CLGOENXRIZRSCI-UHFFFAOYSA-N 303.293 1.484 0 40 DDAB COC1CCC(NC(=O)c2cnn(-c3cccnc3)c2)CC1 569444705 GTPGGCXGGUEWBD-UHFFFAOYSA-N 300.362 1.955 0 40 DDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccno2)C1 225492039 RSWOOBUBVJKGEN-JTQLQIEISA-N 304.306 1.157 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)Cc1cccc(Cl)c1 75157301 OOCZNBIXNLPRHD-GFCCVEGCSA-N 323.867 1.873 0 40 DDAB Cn1c(CC(=O)NCC2(O)CCC2)nnc1-c1ccccc1 571059271 PORPASRNDWRJTR-UHFFFAOYSA-N 300.362 1.056 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCOC1)c1cc(Cl)c2c(c1)OCO2 85846877 MEUUSCORXJHCJV-ZDUSSCGKSA-N 313.693 1.042 0 40 DDAB Cc1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n1N 226081903 SEQVPJOXLQFCMV-UEKVPHQBSA-N 323.466 1.723 0 40 DDAB NNc1ncnc2c1cnn2-c1ccc(Br)cc1 85398053 FCMPXUIBXGRLKR-UHFFFAOYSA-N 305.139 1.864 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2CSCCC(=O)N2)c1 227115502 YXZMYSKPTHLFAD-NSHDSACASA-N 310.375 1.264 0 40 DDAB CCCC[C@@H](N)C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 195554263 ODHVPDSZISEVSY-HZPDHXFCSA-N 310.486 1.132 0 40 DDAB Cn1ccnc1CN1CCC2(CC1)CC(N1CCOCC1)C2 96063158 KUPNNZSQNCXZJJ-UHFFFAOYSA-N 304.438 1.497 0 40 DDAB Cc1cc(NC(=O)COCc2nc(-c3cccnc3)no2)no1 96182098 UDKNWHWZNLSRLH-UHFFFAOYSA-N 315.289 1.583 0 40 DDAB Cn1cc(CN2CC[C@@]3(C[C@H](N4CCCC4=O)CCO3)C2)cn1 96208663 GTEZNGDMHNFYMJ-NVXWUHKLSA-N 318.421 1.166 0 40 DDAB N[C@@H](c1ccc(Cl)cc1)c1nc(CCN2CCOCC2)n[nH]1 95533984 IUVZTHAGERCKNA-AWEZNQCLSA-N 321.812 1.381 0 40 DDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)nn1 96043419 FYBMGPMZDICXFN-MGPQQGTHSA-N 304.394 1.105 0 40 DDAB CCc1cnc(N2CCC3(CC2)C(=O)N(C)CCN3CC)nc1 96230246 JNXVVJULKVOUIM-UHFFFAOYSA-N 317.437 1.172 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96048292 KNSCXGDUPMBOPM-HOCLYGCPSA-N 305.378 1.766 0 40 DDAB Cn1ccnc1CN1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 96072632 FXMJPEOGBTYNMF-RDJZCZTQSA-N 313.405 1.661 0 40 DDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1cccs1 96069086 LIHPJFHCKHAECA-NEPJUHHUSA-N 324.402 1.138 0 40 DDAB CCn1cccc(NC(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1=O 333942359 PVSFDPKFNZSTBP-ZFWWWQNUSA-N 318.421 1.959 0 40 DDAB CCOC(=O)[C@H](C)OCCNC(=O)c1ccccc1C(=O)O 96029646 JUGIRZWQNKYYCG-JTQLQIEISA-N 309.318 1.083 0 40 DDAB O=C([C@@H]1CCCN1Cc1ccncc1Cl)N1CCOCC1 96441385 UIRRSIMBEZZOMD-AWEZNQCLSA-N 309.797 1.558 0 40 DDAB C[C@H](CNC1CCN(c2nccs2)CC1)CN1CCOCC1 96494472 IAZQLHUYVZKNAZ-CQSZACIVSA-N 324.494 1.670 0 40 DDAB COCC(=O)N1CCN(Cc2cccnc2)c2ncccc2C1 96198951 PDXGJSVPWOJODW-UHFFFAOYSA-N 312.373 1.472 0 40 DDAB CCN(C)[C@H]1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1 96220800 WESAIJLXZYMZHS-CQSZACIVSA-N 318.421 1.500 0 40 DDAB CCS(=O)(=O)CC(=O)NC[C@@]1(C)CCCc2ccccc21 96491132 IGCAWPCUBKJJQL-MRXNPFEDSA-N 309.431 1.832 0 40 DDAB CCc1noc(CCC(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)n1 257313343 URYWOMFVDKBXQC-NSHDSACASA-N 319.365 1.196 0 40 DDAB Cc1nccc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257343128 ZROWXUVAYCDUKE-CQSZACIVSA-N 311.407 1.431 0 40 DDAB COc1c[nH]c(C(=O)Nc2nnc(C(F)(F)F)s2)cc1=O 524735582 LNLBHEXQRFKLMB-UHFFFAOYSA-N 320.252 1.506 0 40 DDAB Cc1nsc2ncc(C(=O)N3CCn4c(C)nnc4C3)cc12 69562833 SHHLQMFARRERCK-UHFFFAOYSA-N 314.374 1.556 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3ccncn3)CCO2)ncn1 257205603 AZUYIIMEBDRRQW-AWEZNQCLSA-N 313.361 1.049 0 40 DDAB C[C@@H](NC(=O)CN1CCC[C@@H]1Cn1cncn1)c1ccco1 69517845 RLLWDGMLIJLNMN-CHWSQXEVSA-N 303.366 1.213 0 40 DDAB C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)C1CC1 252490131 KJXHXJJMQPWOBI-GZBFAFLISA-N 307.438 1.139 0 40 DDAB Cc1cc(NC(=O)CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n(C)n1 252476842 CIQZTOYOGOZSEW-KCPJHIHWSA-N 306.410 1.412 0 40 DDAB COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1CCCCN1C(N)=O 252494011 NIHXGAUJGPFGOE-ZYHUDNBSSA-N 323.368 1.945 0 40 DDAB CCCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 575405836 JXILIVUBRYGIJK-RRFJBIMHSA-N 317.389 1.085 0 40 DDAB O[C@]1(COc2ccc(F)c(F)c2)COCCN(C2CCC2)C1 585281192 GIMCCJAVSSNZPP-INIZCTEOSA-N 313.344 1.959 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@H]2CCN(C(C)C)C2)c(=O)[nH]1 65473119 JXAJLGUYQJFGFH-CQSZACIVSA-N 320.437 1.521 0 40 DDAB Cc1cc(C)n2nc(CC(=O)N3CCc4ccccc43)nc2n1 31547718 DEBGAPICZCCCOW-UHFFFAOYSA-N 307.357 1.873 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCC(CC(N)=O)CC1 49390924 ZBGPMYQVBWIUIL-UHFFFAOYSA-N 320.389 1.578 0 40 DDAB CC(C)n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12145930 AMMVJPZWFYWVBZ-UHFFFAOYSA-N 315.308 1.606 0 40 DDAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(N)=O)nc3c2c1C 12182004 IJTIONMQRFDRHT-UHFFFAOYSA-N 317.374 1.085 0 40 DDAB CNc1nc(C(N)=O)c(NC(=O)Cc2ccc(F)cc2)s1 12417197 NVAUYFUASUMDAW-UHFFFAOYSA-N 308.338 1.604 0 40 DDAB Cc1ccccc1NC(=O)C[C@H]1SC[C@H](C(=O)O)NC1=O 13636897 RHDCPEDMIKAZRK-GHMZBOCLSA-N 308.359 1.008 0 40 DDAB COCCC(=O)Nc1ccc([C@H]2CCc3nncn3C2)cc1 19699028 FECPRPGIXIVEFN-ZDUSSCGKSA-N 300.362 1.983 0 40 DDAB Cn1c(CNC(=O)c2c(F)ccc(O)c2F)nnc1C1CCC1 571923966 BBPMWABVMVFKTR-UHFFFAOYSA-N 322.315 1.996 0 40 DDAB Cn1cc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)cn1 11257113 JYIMFKZBJXQNAN-OAHLLOKOSA-N 313.357 1.941 0 40 DDAB CN1CCCC[C@@]2(CN(C(=O)c3ccccc3F)CCO2)C1=O 2037985047 WDTPEWMPJJWISZ-QGZVFWFLSA-N 320.364 1.679 0 40 DDAB CN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12 1565551523 GUNWOLMEHLFJEC-OAGGEKHMSA-N 303.406 1.397 0 40 DDAB NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 4770557 OVTYKIUGSFYWRG-UAGQMJEPSA-N 306.381 1.979 0 40 DDAB Cn1c(=O)c2c(N3CCc4ccccc43)ccnc2n(C)c1=O 12227428 KPEJOAYRUBGPJB-UHFFFAOYSA-N 308.341 1.326 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)c1ccncc1)CC2 2055732377 FVKOTKWDGFDMBO-LBPRGKRZSA-N 300.362 1.419 0 40 DDAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1cnccn1 38754873 AWQHQSCJHBNDSU-UHFFFAOYSA-N 324.296 1.790 0 40 DDAB Cc1cc(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)c(C)o1 225803848 YHPDUTBBXYYHFB-UHFFFAOYSA-N 314.301 1.565 0 40 DDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)CC)C(=O)[C@H]13)O2 2420630 RIGCPESFDQZOOA-IQNXINDISA-N 307.390 1.910 0 40 DDAB CC(C)NC(=O)Nc1cccc(NC(=O)c2ccc(O)nn2)c1 40081759 NMPVQUWNHWNDSO-UHFFFAOYSA-N 315.333 1.964 0 40 DDAB CC[C@H]1CN(C(=O)CCN2C(=O)COc3ccccc32)CCO1 30854858 UDKYSEPSOZVFIF-ZDUSSCGKSA-N 318.373 1.440 0 40 DDAB C[C@H](NC(=O)COc1ccc(S(C)(=O)=O)cc1)c1ccco1 40464878 VCFUTPSBWRDYGZ-NSHDSACASA-N 323.370 1.939 0 40 DDAB CCc1cccc(C)c1NC(=O)CS(=O)(=O)c1nccn1C 40555242 WVMTUEGEJIHTCM-UHFFFAOYSA-N 321.402 1.703 0 40 DDAB CCn1c(=O)n(CC(=O)N2CCSCC2)c2ccccc21 40542088 QHKSOHXJWJWCPU-UHFFFAOYSA-N 305.403 1.398 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)C[C@@H](C)O1 40510960 HGJZZRZPAPNECG-TXEJJXNPSA-N 316.361 1.700 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)Nc1cc(C)on1)CC(=O)O2 31835553 VLVZQZBPUVAKSH-UHFFFAOYSA-N 301.302 1.656 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CN1CCc2ccccc21 51183482 OBWMRQUVRFLKGA-GXTWGEPZSA-N 301.390 1.162 0 40 DDAB COCCNC(=O)c1cc(NC(=O)c2ccccc2)n(C)n1 40769322 ZSVYEHLZXQFCNJ-UHFFFAOYSA-N 302.334 1.049 0 40 DDAB CCCn1c(=O)n(CC(=O)Nc2ncccn2)c2ccccc21 21211903 DCIMDAIAOMNTFA-UHFFFAOYSA-N 311.345 1.642 0 40 DDAB COc1cc(CNC(C)(C)CO)cc(Cl)c1OCC(N)=O 359844 OMBDPWUKEZVKLC-UHFFFAOYSA-N 316.785 1.073 0 40 DDAB CCOC(=O)C(C(=O)OCC)[C@H]1C(=O)N(C)c2ccccc21 102628083 IQAJHLXTBWRNMM-LBPRGKRZSA-N 305.330 1.489 0 40 DDAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCCCC1 4120308 RDEGNBRMRGWRIT-NEBZKDRISA-N 302.374 1.196 0 40 DDAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@H](C(N)=O)C2)n1 42382050 LXXUGEMIBRLXLW-JTQLQIEISA-N 308.382 1.024 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)CSC(C)C)CC1 23130569 ANRLGZRLJPAXGE-UHFFFAOYSA-N 308.469 1.058 0 40 DDAB Cc1ccc(N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1C 6205625 SNSZXTKHPVSJQW-ZDUSSCGKSA-N 312.435 1.983 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1 6313402 WRHLKJOCKGRORZ-UHFFFAOYSA-N 314.407 1.230 0 40 DDAB CN(CC(=O)N(C)C)Cc1ccc(OCc2nccn2C)cc1 42743630 BOBCRFWJRJGMSK-UHFFFAOYSA-N 316.405 1.519 0 40 DDAB CCc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)OC)[C@@H]4C2=O)cc1 100293525 ARUOVFFUDMTDCH-OIPACUDHSA-N 313.353 1.708 0 40 DDAB CC[C@H](CO)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 8327020 HCHXPHSHKPAHQC-SNVBAGLBSA-N 316.785 1.073 0 40 DDAB O=C(NCCc1ccc2c(c1)OCCO2)Nc1nncs1 43129077 IRTNDYJORCJCLI-UHFFFAOYSA-N 306.347 1.674 0 40 DDAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1C 8405298 GNBBSJDKPJNQRR-UHFFFAOYSA-N 324.446 1.840 0 40 DDAB Cc1ccc(-c2nnc(SC[C@H]3CNC(=O)O3)n2N)cc1 24752919 ZYYNOSYMQRNDNT-SNVBAGLBSA-N 305.363 1.168 0 40 DDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cnn(C)c2)cc1 25304961 WIUJKYCJWZNBEJ-UHFFFAOYSA-N 322.390 1.036 0 40 DDAB C[C@@]1(NC(=S)Nc2ccc(O)cc2)CCS(=O)(=O)C1 3288665 REIAOXJGGCYICQ-GFCCVEGCSA-N 300.405 1.256 0 40 DDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 107340950 KCURZSBRUSBZND-ZLKJLUDKSA-N 307.325 1.433 0 40 DDAB CN(C)C(=O)c1ccc(Cl)cc1NC(=O)N1CCOCC1 56653827 JDOBMGPOGBTYPU-UHFFFAOYSA-N 311.769 1.906 0 40 DDAB COC(=O)C12[C@@H]3C4C5[C@@H]1[C@@H]1C[C@@H]1[C@H]5C2(C(=O)OC)[C@H]4[C@H]1C[C@H]13 104290564 RPBCQCIBCIGBRS-OCMKXQEYSA-N 300.354 1.343 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 62132433 JVIUQSPZVIUJHT-ZCFIWIBFSA-N 309.265 1.199 0 40 DDAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1cncn1 44576372 FHQYJPSSYXUSEK-MNOVXSKESA-N 302.334 1.488 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)Nc2cc[nH]n2)CC1=O 58174195 YXSHDXQKNXCWQV-SNVBAGLBSA-N 300.318 1.410 0 40 DDAB CNC(=O)c1ccc(=O)n(CC(=O)NC2CCCCCCC2)c1 58153707 CFTQRPGXQUWFCA-UHFFFAOYSA-N 319.405 1.437 0 40 DDAB CC(C)NC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1 44890501 HMAWYRFWPAWLSX-UHFFFAOYSA-N 314.345 1.114 0 40 DDAB CN1CCO[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 58289825 OEHHNYGBUREBNF-CQSZACIVSA-N 308.809 1.818 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CCNS(C)(=O)=O)o1 44916488 AYQIPVLGDVZBMQ-CMPLNLGQSA-N 314.407 1.301 0 40 DDAB COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O 44969489 NKDRQRKLDIHWAN-BDAKNGLRSA-N 303.355 1.445 0 40 DDAB O=C(NCCN1CCCCC1)NCc1nnc2n1CCCCC2 44966692 KMWKVGGDOUJIBX-UHFFFAOYSA-N 320.441 1.290 0 40 DDAB CNC(=O)c1ccc2c(c1)C1(CCN(CC3CC3)CC1)C(=O)N2 105220488 IFXCNYFWHSETJB-UHFFFAOYSA-N 313.401 1.742 0 40 DDAB CN1CC[C@H](NC(=O)[C@H]2CCOC2)[C@@H]1c1ccc(F)c(F)c1 110698378 CLXTZQJTORJWFK-CQDKDKBSSA-N 310.344 1.863 0 40 DDAB COc1ccc(CC(=O)Nc2cccnc2-n2cncn2)cc1 58357025 PUUMSLCWLGAFKC-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 113966462 QIWPIKVFNSGVST-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCO2)N2CCOCC2)o1 48325542 GXHNEHIDDDVSKR-HIFRSBDPSA-N 308.378 1.257 0 40 DDAB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1 3484387 LVRGXZZAWTVKTA-UHFFFAOYSA-N 319.390 1.609 0 40 DDAB O=C(COC(=O)C1=COCCO1)NCCCc1ccccc1 3515587 IBHANEQYDCYBFX-UHFFFAOYSA-N 305.330 1.167 0 40 DDAB C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H](n2cncn2)C1 72287473 WCNPREOHXWPJKC-OLZOCXBDSA-N 301.350 1.304 0 40 DDAB COc1cccc(Cn2c(=O)n(C)c(=O)c3sccc32)c1 71327714 CTTNRKJGYCVWLP-UHFFFAOYSA-N 302.355 1.819 0 40 DDAB CCc1nc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)no1 72275547 SADUEZXMDQTWDL-ZDUSSCGKSA-N 300.362 1.976 0 40 DDAB CCOc1ccc(C[C@H](CNC(=O)C2CCC2)C(N)=O)cc1 65465447 YUAVRPUKYXWKBG-CQSZACIVSA-N 304.390 1.646 0 40 DDAB CC(C)C(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96115372 NYXYFISIMKXYBH-ZDUSSCGKSA-N 301.346 1.838 0 40 DDAB biogenic CC(=O)NC1(C(=O)N2CCC[C@H](n3cccn3)C2)CCCCC1 65609706 UXGIKOHPDVWATE-HNNXBMFYSA-N 318.421 1.886 0 40 DDAB Cc1ccsc1CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 96413084 UDOQQMPTKGBJQP-WDEREUQCSA-N 316.448 1.774 0 40 DDAB COC(=O)CN1CCC(Nc2cccc(-c3ncon3)c2)CC1 97162183 NPZQLWTVMPRYNW-UHFFFAOYSA-N 316.361 1.786 0 40 DDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCNC2=O)cc1 7829153 VVOWTIMGZVQZCS-SECBINFHSA-N 307.375 1.677 0 40 DDAB CC(=O)Nc1ccc(CCNC(=O)NCc2cnn(C)c2)cc1 71803167 YZYKTNKPMKFGPW-UHFFFAOYSA-N 315.377 1.420 0 40 DDAB NC(=O)c1ccc(/C=C/C(=O)N2CCCN(C3CC3)CC2)cc1 81618556 YRFYVZQCWVAUEY-RUDMXATFSA-N 313.401 1.495 0 40 DDAB CCOCCN1CCN(Cc2cn3c(C)cc(C)nc3n2)CC1 71864718 YVKUKGIQOOJWJG-UHFFFAOYSA-N 317.437 1.500 0 40 DDAB CCNC(=O)NC(=O)CSCc1cc(F)ccc1OC 71862852 MLPDYYKCFWRWCR-UHFFFAOYSA-N 300.355 1.913 0 40 DDAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCS(=O)CC1 70039774 JEJFUJNQGZWCEK-HNNXBMFYSA-N 323.414 1.449 0 40 DDAB COC[C@H](C)NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1=O 70039116 WHIAMNXTLMEIIC-FZMZJTMJSA-N 323.368 1.655 0 40 DDAB Cn1cnnc1C1CCN(c2cc(=O)n3ccccc3n2)CC1 71810939 ZGYGVMGWPKXROC-UHFFFAOYSA-N 310.361 1.207 0 40 DDAB C[C@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 71841901 KGCLVRPLAISLHI-ZDUSSCGKSA-N 314.389 1.830 0 40 DDAB COc1ccc(CN(C)CC(=O)NC(=O)NC(C)C)cc1F 8308618 ISAQJYMABPGSRY-UHFFFAOYSA-N 311.357 1.500 0 40 DDAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C)[nH]c2=O)n1 69490582 UBYZNJLPMZEESM-UHFFFAOYSA-N 314.345 1.097 0 40 DDAB COc1ccc(CNCC2CCN(CCO)CC2)cc1OC 69418460 COVGGTJCHQCTOR-UHFFFAOYSA-N 308.422 1.498 0 40 DDAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1csnn1 69515719 USURTHRBDXDBOV-GFCCVEGCSA-N 316.386 1.158 0 40 DDAB O=C(NC1CC1)[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1 69582815 JATYIHMIBIDBSE-GDBMZVCRSA-N 311.389 1.202 0 40 DDAB CCN(CC)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930643 YHHLVEPAUZVUOR-UHFFFAOYSA-N 324.446 1.928 0 40 DDAB CN(CCCOCCc1ccccc1)CC(=O)N1CCOCC1 71951134 PTWVNZBQKJNWQM-UHFFFAOYSA-N 320.433 1.426 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)c1cn3ccccc3n1)C2 69819995 RCWXXMNGYWDMMO-UHFFFAOYSA-N 310.361 1.705 0 40 DDAB CCc1nc(CN2CCCN(C(=O)[C@@H]3CCOC3)CC2)cs1 69896367 ARLIICMGWZHWKF-CYBMUJFWSA-N 323.462 1.776 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@@H]1CCCO1 69970557 FWKBYGBECWIPPX-NSHDSACASA-N 300.305 1.822 0 40 DDAB Cn1cc([C@@H](O)CNC(=O)Nc2nnc(C3CC3)s2)cn1 72303901 XHEUHCVUHHDNJW-VIFPVBQESA-N 308.367 1.004 0 40 DDAB O=C(CN1CCO[C@@H]2CCC[C@@H]21)NCC(=O)c1cccs1 95397373 GAAVTOVVIZUFDL-WCQYABFASA-N 308.403 1.300 0 40 DDAB CCOC(=O)NCCNC(=O)c1cc2c(cc1O)CCCC2 95395268 BQBXWPYYDFIDQY-UHFFFAOYSA-N 306.362 1.747 0 40 DDAB Cc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)c(=O)[nH]1 84130992 KAHOUCIJAGUGAF-UHFFFAOYSA-N 300.314 1.354 0 40 DDAB Cc1ccccc1CS(=O)(=O)NC[C@](C)(O)c1cnn(C)c1 95433193 VIMIXGMZVXYKPT-HNNXBMFYSA-N 323.418 1.056 0 40 DDAB CC1CCN(C[C@@H](O)COc2ccccc2CC(N)=O)CC1 95439115 MSDQZZFVPONQLT-OAHLLOKOSA-N 306.406 1.186 0 40 DDAB CCC(CO)(CO)NC(=O)Nc1cnn(-c2ccccc2)c1 95982853 YDZDPCYSZWGNIT-UHFFFAOYSA-N 304.350 1.127 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCn3ncnc32)c(C)c1C 95960130 LXZJHZHCOYCILD-UHFFFAOYSA-N 322.390 1.503 0 40 DDAB CC(C)[C@@H](O)CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 95981843 WGQLRETVJWZDJB-HNNXBMFYSA-N 316.405 1.619 0 40 DDAB Cn1cccc1C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 75138051 FCDDHPYTKCTYLY-OAHLLOKOSA-N 323.356 1.858 0 40 DDAB COCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 89856452 RTEVOQYBCFEIHP-AWEZNQCLSA-N 315.458 1.012 0 40 DDAB CC(C)Oc1ccc(CNC(=O)CN2CCN(C)C[C@@H]2C)cc1 89939071 CUKGJWUQCFEDHX-HNNXBMFYSA-N 319.449 1.726 0 40 DDAB COC(=O)c1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)s1 89920433 PEWJCHZTMDVJQH-AAEUAGOBSA-N 322.430 1.835 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc2ncccc2c1=O 25051375 LDQAOPFDBUACHQ-GFCCVEGCSA-N 320.352 1.769 0 40 DDAB COc1ccc(F)c(CNC(=O)Cn2nnc3ccccc32)c1 1557609948 XEOMYXZSIBRBKK-UHFFFAOYSA-N 314.320 1.895 0 40 DDAB Cc1ccc(O[C@H](C)C(=O)NCCN2CCOCC2)c(C)c1 408679541 NMJRLPINJGYPHA-OAHLLOKOSA-N 306.406 1.519 0 40 DDAB Cc1nc(NC2CC2)sc1C(=O)N1CCC(C(N)=O)CC1 36354934 WNHGDAFLULLDEJ-UHFFFAOYSA-N 308.407 1.363 0 40 DDAB O=C(c1ccco1)N1C[C@@H]2[C@@H](C1)c1ccccc1S2(=O)=O 306128530 HCYCWUAUURNCQN-SMDDNHRTSA-N 303.339 1.675 0 40 DDAB CO[C@H]1C[C@@H](C(N)=O)N(Cc2ncc(-c3ccccc3C)o2)C1 520438413 LYFFQVGBHVDKOO-JSGCOSHPSA-N 315.373 1.725 0 40 DDAB OC[C@@H](N=c1[nH]ccn2cnnc12)c1ccc(C(F)(F)F)cc1 533910637 UKBMWKWOFSBNEG-LLVKDONJSA-N 323.278 1.711 0 40 DDAB CCCC[S@](=O)C[C@@H]1CO[C@H](C[S@@](=O)CCCC)CO1 35326121 WDTXZNJFCMZNEA-AFHBHXEDSA-N 324.508 1.868 0 40 DDAB CCOc1cc2c(cc1NC(=O)[C@H]1CCC(=O)N1)O[C@@H](C)C2 73005314 VDDZYWIYDCDSOI-GXSJLCMTSA-N 304.346 1.626 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(c2ccncc2)C1 72380897 HEBVZSJNTKXQBF-LLVKDONJSA-N 306.391 1.592 0 40 DDAB Cc1ccc(NC(=O)/C=C\C(=O)O)c(NC(=O)/C=C/C(=O)O)c1 31716733 WKNZCGAJBXKEIH-XGXWUAJZSA-N 318.285 1.154 0 40 DDAB O=C(NCC1(O)CCOCC1)c1ccc(OC(F)(F)F)cc1 75170489 MOOXWZLRAMGSTG-UHFFFAOYSA-N 319.279 1.857 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 36056046 XSIXPVDIIIVOSI-GJZGRUSLSA-N 322.430 1.678 0 40 DDAB Cc1nnnn1-c1ccc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 71285541 BCUHMPMPKYUUFN-VHDGCEQUSA-N 309.373 1.913 0 40 DDAB CCc1ncnc(N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c1F 570350267 OFFHKAKAPBJYBM-AAEUAGOBSA-N 322.384 1.394 0 40 DDAB CN1N=Cc2sc(Br)c(Br)c2B1O 195782611 ZCFAUCHARCBALF-UHFFFAOYSA-N 323.806 1.240 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 40386725 JDSVFNYUUUWFBS-VIFPVBQESA-N 319.752 1.837 0 40 DDAB CCc1nc2ccccc2c(=O)n1CC(=O)NC[C@H]1CCCO1 40478654 XBFAXTGWLHVWMP-GFCCVEGCSA-N 315.373 1.254 0 40 DDAB O=C1CN(C(=O)c2cc(C3CC3)on2)CN1CC(F)(F)F 574225523 KXGXEGYZHYXREO-UHFFFAOYSA-N 303.240 1.356 0 40 DDAB COc1c[nH]c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1=O 41127975 LJUQHXUTUJMGKL-UHFFFAOYSA-N 323.393 1.436 0 40 DDAB O=C(O)Cc1ccc(-c2nn3c(CC(=O)O)nnc3s2)cc1 41126936 FXEUMVZBXNAPQO-UHFFFAOYSA-N 318.314 1.107 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1CCC(=O)NC(N)=O 88562436 VPLOMWIKATZBNC-ZDUSSCGKSA-N 304.394 1.302 0 40 DDAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cnccn1 224353583 GEVAUTUQJUNITH-UHFFFAOYSA-N 313.365 1.185 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3cccs3)C2)C1 96051919 AITYZCRPJUQZFC-HOCLYGCPSA-N 310.463 1.917 0 40 DDAB COC(=O)c1ccccc1NCC(=O)NC(=O)NCC(C)C 9466363 LVVAMJIERNTZFD-UHFFFAOYSA-N 307.350 1.367 0 40 DDAB O=C(CC1CC1)NC[C@]12COC[C@H]1CN(C1CCOCC1)C2 96108427 ZACBJFGJCBDQRI-PBHICJAKSA-N 308.422 1.030 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(C(=O)c1ccoc1C)CC2 96207568 KMOQLZXLBFVVMY-ZDUSSCGKSA-N 306.362 1.203 0 40 DDAB Cn1nnc2c1[C@H](COCc1cccnc1)CN(CC1CC1)C2 96060735 VEJOCBXKZZOLTK-HNNXBMFYSA-N 313.405 1.736 0 40 DDAB CCc1nnc2n1C[C@@H](NCc1cccc3c1OCO3)CC2 97199583 HWLSGVCKCKHVBN-LBPRGKRZSA-N 300.362 1.674 0 40 DDAB CN1CCC(NC[C@H]2COCc3nc4cccnc4n32)CC1 96112792 RFOCFKONWBIJQP-ZDUSSCGKSA-N 301.394 1.186 0 40 DDAB biogenic,in-vitro CN(Cc1ccc([S@](C)=O)cc1)c1ncnc2[nH]cnc12 96453925 RXQWWZKAPAPYSZ-OAQYLSRUSA-N 301.375 1.727 0 40 DDAB CS(=O)(=O)[C@](Cl)(I)C(=O)C1CC1 96518260 OVUBMKSLRVFVLA-ZCFIWIBFSA-N 322.551 1.338 0 40 DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H](C)O[C@H](C)C1 96459732 MIMDPZJKBBQEGW-MIPVDYNUSA-N 316.467 1.885 0 40 DDAB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1F 96452983 RQZKDSPHKGTHKE-AAEUAGOBSA-N 308.353 1.755 0 40 DDAB CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CCCCc2ccccc21 96486572 WQGUBTNQRBHWTJ-IRXDYDNUSA-N 316.401 1.818 0 40 DDAB COCCCn1c(C(=O)O)cc2c(=O)n3cccc(C)c3nc21 96347464 NFICTCYBSUKPDE-UHFFFAOYSA-N 315.329 1.692 0 40 DDAB Cc1cccc(S(=O)(=O)N2C[C@@H]3OCCN(C(C)C)[C@@H]3C2)c1 96248687 XJZUGHVDKYNLOK-CVEARBPZSA-N 324.446 1.477 0 40 DDAB CCO[C@@H]1CCN(C(=O)COc2ccc(F)cc2)[C@H]2CCO[C@@H]21 96218675 GQRKCSQKMZWSLA-UXLLHSPISA-N 323.364 1.999 0 40 DDAB CNc1cc([C@H]2CCCN2S(=O)(=O)N2CCCC2)ccn1 257254224 KCGHIIGQYQYNGP-CYBMUJFWSA-N 310.423 1.601 0 40 DDAB O=C(NCc1ccc(CO)o1)c1cccnc1O[C@H]1CCOC1 253403619 QFMLLKNLNZQRGD-ZDUSSCGKSA-N 318.329 1.265 0 40 DDAB Cc1ccsc1CN1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 257316940 VHQRJDMPMHALRO-ZYHUDNBSSA-N 323.443 1.488 0 40 DDAB CCn1cc(C(=O)N2CCO[C@@H](c3nccc(C)n3)C2)cn1 257291138 QFVCCZQXTBTWSG-CYBMUJFWSA-N 301.350 1.215 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1 257231113 GFHPAZLGQZWAHK-ZDUSSCGKSA-N 314.393 1.518 0 40 DDAB CCN(Cc1ccncc1)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257275605 NQBMEAPPOHOILF-INIZCTEOSA-N 314.393 1.252 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257318804 VPLVHVHITKMOFE-WMZOPIPTSA-N 319.401 1.689 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cccc(C)n1)[C@@H]2C 585096943 CXYZLQQBTZKIFV-LLVKDONJSA-N 301.350 1.345 0 40 DDAB O=C(/C=C/c1cnc[nH]1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585290045 ZIRPANPVECBZDQ-TYGQBZDHSA-N 311.385 1.875 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCc2cc(C)no2)c1C 66576524 FITJTKRPSHXESY-UHFFFAOYSA-N 324.358 1.557 0 40 DDAB O=S(=O)(NCCN1CCOCC1)C1=Cc2ccccc2CC1 32679020 NGQFECFIQKYCKP-UHFFFAOYSA-N 322.430 1.225 0 40 DDAB Cc1nnc(CNC(=O)C2CCN(Cc3ccccc3)CC2)o1 57174298 PDAUDLKNRGGMEM-UHFFFAOYSA-N 314.389 1.906 0 40 DDAB COc1ccc(C(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1F 1565522727 YIANHLCVEGYIAX-CQSZACIVSA-N 322.380 1.771 0 40 DDAB CCc1noc(C)c1C(=O)N1C[C@@H](N2CCOCC2)[C@H](CC)C1 83817408 RFAUBNXAXNLBNL-UKRRQHHQSA-N 321.421 1.728 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)NC[C@@H](O)C3CC3)c(C)n2n1 84129359 YNQQMFAXMUWFBY-OAHLLOKOSA-N 316.405 1.474 0 40 DDAB CC(C)[C@H](O)CCNC(=O)[C@H](C)Sc1nnnn1C1CC1 76022755 HDLAPTNTORKAMR-GXSJLCMTSA-N 313.427 1.012 0 40 DDAB COc1ccc([C@H](CO)Nc2cc(-n3ccnc3)ncn2)cc1 77225065 JFWNLRNARBTCGK-AWEZNQCLSA-N 311.345 1.816 0 40 DDAB Cc1cc(CSc2nnnn2-c2ccc(O)cc2)n(C)n1 89202760 VRQPWAUQGAUYSK-UHFFFAOYSA-N 302.363 1.702 0 40 DDAB COC(=O)[C@@H]1[C@@H]2NC(=S)N[C@]1(C)Oc1c(OC)cccc12 100150604 DLAIRTVEVSFSPC-IMSIIYSGSA-N 308.359 1.112 0 40 DDAB CS[C@@H]1CN(Cc2nc(-c3cccnc3)no2)C[C@@H]1N(C)C 108144811 CMPRTNGYBLSCFH-QWHCGFSZSA-N 319.434 1.609 0 40 DDAB CCCN(CCC)[C@@H](Cn1cc(CC)c(O)nc1=O)C(=O)O 1772595149 MUKWAMXUHHQMMU-LBPRGKRZSA-N 311.382 1.087 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)c1nc2ccccc2c(=O)[nH]1 5642379 SRAXMKHPHBAROR-VIFPVBQESA-N 302.286 1.416 0 40 DDAB O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCCC1 5438425 SXMWYBLELLCRLO-UHFFFAOYSA-N 308.403 1.853 0 40 DDAB CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N 5555093 FLZYETASBBDRTI-UHFFFAOYSA-N 305.407 1.902 0 40 DDAB CN(C(=O)Cn1nc(-c2ccncc2)oc1=O)C1CCCCC1 12115881 QNPHFSJJPYFVMU-UHFFFAOYSA-N 316.361 1.689 0 40 DDAB O=C(NC1CC1)[C@H]1C=CCN1S(=O)(=O)Cc1ccccc1 13565357 DOXMGJSDQXXHSI-CQSZACIVSA-N 306.387 1.035 0 40 DDAB CC(=O)N1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 14162541 HVTGBAYPLVRETJ-QGZVFWFLSA-N 307.309 1.588 0 40 DDAB Cc1nn(C(C)C)cc1S(=O)(=O)NC[C@@H](C)N1CCCC1 19583313 OSBOVFUYKOIIGG-GFCCVEGCSA-N 314.455 1.535 0 40 DDAB CN1CCN(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)CC1 252519088 AXAVQNIANTYMCC-HDJSIYSDSA-N 319.409 1.124 0 40 DDAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc2nsnc2c1 253407635 WRUFXTKSKLEHML-HONMWMINSA-N 319.386 1.758 0 40 DDAB O=C1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCN1 3457797 YVYCWEBKCHAUFO-UHFFFAOYSA-N 301.268 1.076 0 40 DDAB Cc1nc(C)c(CN2CCO[C@H](C(=O)N3CCCCC3)C2)s1 1888890557 OEARHFUJTWNUMI-AWEZNQCLSA-N 323.462 1.973 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)OCc2c(C)noc2C)C1=O 23882665 OWPVVEINWCVYSC-CQSZACIVSA-N 309.322 1.055 0 40 DDAB Cc1nn(C)c(C(=O)Nc2cnn(C)c2C)c1Br 2781387 WDPLCNZNCSCSRU-UHFFFAOYSA-N 312.171 1.785 0 40 DDAB O=C(CCc1cncnc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 1565546146 UUGBQVLVWNDWBN-HOTGVXAUSA-N 312.373 1.009 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)cc1 2710757 XQVVTYRVPVWLGD-QWRGUYRKSA-N 306.387 1.813 0 40 DDAB COC(=O)CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O 6452795 HLISJIZSCIJHOP-SNVBAGLBSA-N 303.343 1.308 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cccs2)C1 2055771727 SMBKCNKKXPRTPF-OAHLLOKOSA-N 318.402 1.322 0 40 DDAB Cn1cnc2c(NC[C@@H](O)c3ccc4c(c3)CCO4)ncnc21 1775970350 CYXUDQVIASTMEA-GFCCVEGCSA-N 311.345 1.444 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 606440766 XOIOUAAUTZWMRQ-AAEUAGOBSA-N 300.362 1.910 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2cnn(C)c2)[C@@H](C)C1 2298031329 OSNZIWMMLSNQEU-LBPRGKRZSA-N 303.410 1.731 0 40 DDAB OC1(c2ccc(Cl)cc2)CCN(CCn2nccn2)CC1 2298036513 OTGVZWXMKPHQMS-UHFFFAOYSA-N 306.797 1.915 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1nnc2ccccn12 40093828 APAJMTOQWSNODN-MRVPVSSYSA-N 302.256 1.313 0 40 DDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CCCCC1 40527822 NPRQZJKZHXBUST-UHFFFAOYSA-N 300.380 1.606 0 40 DDAB CC(C)c1noc(CCCC(=O)N2CCC(C(N)=O)CC2)n1 40529674 KKIJMTWDMZFDDE-UHFFFAOYSA-N 308.382 1.240 0 40 DDAB Cc1cc(NC(=O)CN(C)Cc2noc(C(C)(C)C)n2)no1 40528238 YADROIMMAWYZPW-UHFFFAOYSA-N 307.354 1.734 0 40 DDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)F)cc1 32831635 XXLUUURZCAQXHQ-KCJUWKMLSA-N 317.313 1.438 0 40 DDAB CCCCN(CC(N)=O)Cc1cc(=O)n2cc(Cl)ccc2n1 52703712 TXHLOPNWVHFFJU-UHFFFAOYSA-N 322.796 1.435 0 40 DDAB Cc1ccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1 103007824 XNPLFXSRZOREKO-RTXFEEFZSA-N 318.358 1.362 0 40 DDAB COC(=O)c1oc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 103104793 ISYDAFMUDRGXPL-VXGBXAGGSA-N 303.314 1.826 0 40 DDAB Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 223671 RQJWAJPMHZWJFZ-UHFFFAOYSA-N 314.370 1.880 0 40 DDAB CCn1nc(C)c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1C 72269446 ABOJEAYMJLWFNC-HUUCEWRRSA-N 320.437 1.191 0 40 DDAB COc1ccc2c(c1)N=C1[C@H](CC(=O)N1CCN(C)C)S2 480330 FIPJYCSLXSWRIM-ZDUSSCGKSA-N 305.403 1.993 0 40 DDAB NC(=O)c1csc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 72233930 SSUVXJMMZSVIHT-LLVKDONJSA-N 304.375 1.348 0 40 DDAB O=C1[C@H](N2CCC[C@H](c3ccn[nH]3)C2)CCN1CC(F)(F)F 72277647 GTWBYGOQQCWMIM-CMPLNLGQSA-N 316.327 1.752 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C[C@H](O)c3ccccc3)CCO2)n1 78893240 WGYPLKCPPUNIGY-GJZGRUSLSA-N 316.405 1.864 0 40 DDAB O=C(N[C@H]1C(=O)NN[C@@H]1c1ccccc1Cl)c1ccccc1 1622779 GDBBETJGUUPPOP-ZIAGYGMSSA-N 315.760 1.814 0 40 DDAB COc1cccc(CC(=O)NC[C@@H](C(C)C)N2CCOCC2)c1 41934305 XGXGWDNHADWHES-KRWDZBQOSA-N 320.433 1.711 0 40 DDAB Cc1n[nH]c(SC[C@@H](O)COCc2ccc3c(c2)OCO3)n1 22542709 BCHTTYLXRNQRLO-NSHDSACASA-N 323.374 1.512 0 40 DDAB C[C@@]1(NC(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 22553196 VUPIYCDUASOIFP-GFCCVEGCSA-N 305.758 1.786 0 40 DDAB C[C@H](C(=O)Nc1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22774360 VZEWKPUORWDZEB-NVXWUHKLSA-N 317.433 1.810 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 4558711 ZDBRTAFMDQLABA-CQSZACIVSA-N 324.446 1.922 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccccc1F)NC(=O)N2 12346638 LWSZQMCJNIVQIF-CQSZACIVSA-N 319.336 1.312 0 40 DDAB CCOC(=O)C1=C(CN(C)c2cc(C)cc(C)c2)NC(=O)NC1 54291262 ASQPYLGEHSRTGI-UHFFFAOYSA-N 317.389 1.870 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)no1 72232300 OSHUNDGZGMYNIY-NSHDSACASA-N 301.350 1.998 0 40 DDAB O=C(c1cnccn1)N1CC(Cn2cc(Br)cn2)C1 1888866780 NYJFHSUSPIMNLK-UHFFFAOYSA-N 322.166 1.208 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(CC(N)=O)C1CCCC1 47236447 DSCBUIZUWHPWQB-LLVKDONJSA-N 308.353 1.850 0 40 DDAB CN(C)CCCNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12407820 GTHVEWOMJCLOLC-UHFFFAOYSA-N 313.361 1.899 0 40 DDAB COCCOCc1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 47590049 BYRXLBOJRSJOSZ-OAHLLOKOSA-N 308.378 1.838 0 40 DDAB Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 47557200 KPAQMWBIVFUPQJ-UHFFFAOYSA-N 304.371 1.724 0 40 DDAB CC[C@H](CO)NCc1ccc(OCC(=O)NC(C)(C)C)cc1 8337092 JXNMKMQNWHNMOY-CQSZACIVSA-N 308.422 1.841 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cc(Cl)sc1Cl 24543898 VILFURUSZZYWSJ-UHFFFAOYSA-N 323.157 1.764 0 40 DDAB O=C(COc1ccccc1F)OCCNC(=O)c1cccnc1 3169001 ZHOABTXDAOENQK-UHFFFAOYSA-N 318.304 1.573 0 40 DDAB CCCCc1nc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)no1 72279794 FYFPBJQMUNYTNZ-ZIAGYGMSSA-N 310.442 1.689 0 40 DDAB O=C(CCc1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 9609093 PAIXSOSYYNZBPO-UHFFFAOYSA-N 321.402 1.967 0 40 DDAB CN(CC(=O)N1CCO[C@H]2CCC[C@@H]21)c1ccc(Cl)cn1 56195047 REWJLNYOILPMEP-STQMWFEESA-N 309.797 1.951 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccc(Br)o2)CC1 44290125 XFGANKRYSFHEBH-UHFFFAOYSA-N 315.167 1.783 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc(Cl)c1 97604432 KDIZWQZTKWRRPV-UHFFFAOYSA-N 318.826 1.829 0 40 DDAB Cc1cc2nc(SCC(=O)Nc3cc(C)on3)[nH]c(=O)c2[nH]1 57520822 FUBIHWRHPDCOEI-UHFFFAOYSA-N 319.346 1.587 0 40 DDAB O=C(Cn1cncn1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 72288774 GOEOHNJWKNPBBZ-NSHDSACASA-N 315.160 1.435 0 40 DDAB COC[C@H](O)CN(C)[C@H](C)C(=O)Nc1ccccc1Cl 110621414 KFYKXQNQQKATGL-GHMZBOCLSA-N 300.786 1.606 0 40 DDAB CC[C@H]1CCCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 27154516 WSTDLJRVIZVGLF-NSHDSACASA-N 302.378 1.832 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 72282399 FTNOAGDJAFQXCS-IUODEOHRSA-N 312.410 1.824 0 40 DDAB C[C@H](CN1CCCC1=O)Nc1cc(C(N)=O)c2ccccc2n1 48234561 BUPUZIJMNNDFSH-LLVKDONJSA-N 312.373 1.757 0 40 DDAB CN1N=C(C(=O)N2CCN(Cc3cccs3)CC2)CCC1=O 44889449 VNNLJDMKDKXXOW-UHFFFAOYSA-N 320.418 1.001 0 40 DDAB Cc1ccc(CN(C(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1 44968068 LXPWTCIPCUMJNW-CQSZACIVSA-N 305.378 1.931 0 40 DDAB CN1CCO[C@@H](CNC(=O)Cc2coc(-c3ccccc3)n2)C1 58332508 BEDKQUYAHMGRNN-HNNXBMFYSA-N 315.373 1.331 0 40 DDAB CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 58394043 YNCQXLFIVXVUOR-CABCVRRESA-N 310.438 1.909 0 40 DDAB CCS(=O)(=O)CCn1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)n1 102729063 GHEMDEOLUBKSKJ-AVGNSLFASA-N 323.418 1.469 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCC2CC2)cn1 106906353 ASPPFOLMXCPYIX-JYJNAYRXSA-N 317.389 1.584 0 40 DDAB CC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 103265108 FWQHKGOFDHYOKC-ISOBSLSZSA-N 310.350 1.008 0 40 DDAB Cc1ccc(C)c(COC(=O)CN2CCS(=O)(=O)CC2)c1 58916887 PIWMLMDCCCMJND-UHFFFAOYSA-N 311.403 1.077 0 40 DDAB COCCN1CN=C(Nc2nc(C)c3ccccc3n2)NC1 19330310 QCMMODWNUYSLIV-UHFFFAOYSA-N 300.366 1.173 0 40 DDAB CN(CC(=O)N[C@@H](c1ccccc1)C1CCCC1)S(C)(=O)=O 46691047 WYFUGQGKXDMJGL-INIZCTEOSA-N 324.446 1.926 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccco3)C[C@H]2N1Cc1cccnc1 67897128 BIEUMXQQKYVNEY-CVEARBPZSA-N 313.357 1.286 0 40 DDAB biogenic,in-vitro COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(O)c1 12849104 QKMJMPMQBDRCGD-UHFFFAOYSA-N 314.345 1.153 0 40 DDAB NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 3448949 IWIMKWWXCDYLGM-UHFFFAOYSA-N 312.325 1.738 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)cc1 9013343 LJXMZCFPLSPXDZ-GFCCVEGCSA-N 313.317 1.311 0 40 DDAB COc1cccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 72305724 HHULWNFXGFSHRJ-UHFFFAOYSA-N 315.373 2.000 0 40 DDAB COc1ccc(OC[C@H](O)Cn2nnnc2C(C)(C)C)cc1 49998793 NSGFVUVEQVKRQD-LLVKDONJSA-N 306.366 1.419 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc(Br)cs2)CC1 65491498 RIGZXGQKEDEEBV-UHFFFAOYSA-N 317.208 1.848 0 40 DDAB CN(C)C1(CNc2ncnc3c2cnn3CCO)CCCC1 65475853 MYZZDIMPCFCWBQ-UHFFFAOYSA-N 304.398 1.105 0 40 DDAB COC(=O)[C@@H](CCSC)NC(=O)NCc1ccccc1F 6379623 ULNBKCBJTNMXII-GFCCVEGCSA-N 314.382 1.920 0 40 DDAB Cc1cccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c1 14109451 HGKPWZHHQOVITI-UHFFFAOYSA-N 301.390 1.488 0 40 DDAB CCCNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C 14683246 DNSLZTVRUCDVIY-UHFFFAOYSA-N 301.412 1.195 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 83598442 XMLQZAWOFVFLFF-CYBMUJFWSA-N 318.826 1.703 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 6928379 ZCAHTJJKJYBJHM-UHFFFAOYSA-N 310.419 1.546 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1 4912784 HAJQSWPJUKITPM-UHFFFAOYSA-N 322.390 1.075 0 40 DDAB C[C@H](Sc1nccn1C)C(=O)N1CC(=O)Nc2ccccc21 7061339 NETOIGAGBSFNJW-JTQLQIEISA-N 316.386 1.886 0 40 DDAB O=C(CSc1ncccn1)NC[C@H]1COc2ccccc2O1 7122799 CWESSRYRBABAQR-NSHDSACASA-N 317.370 1.525 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cc(Br)c[nH]1)c1ccccc1 71793245 BFWVQPDCXKVYDG-NSHDSACASA-N 322.162 1.734 0 40 DDAB Cc1cc(=O)nc(-n2cc(C(=O)c3cc(F)ccc3O)cn2)[nH]1 15980601 YROSRLSNXGNUCQ-UHFFFAOYSA-N 314.276 1.340 0 40 DDAB CCCc1c(C(=O)OCC(N)=O)nnn1-c1cccc(Cl)c1 69212196 RGZBWDNDXCMZQF-UHFFFAOYSA-N 322.752 1.515 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2nccnc2N)n1 70012049 WCXWPWKJOPYIAF-ZDUSSCGKSA-N 314.393 1.567 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)CC1 71871400 FRAZKQRZYLRHCX-KGLIPLIRSA-N 308.397 1.529 0 40 DDAB C[C@H](O)C1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 97083189 MOIKRRWYENCDLL-NSHDSACASA-N 308.353 1.175 0 40 DDAB CCc1ncc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)s1 71841621 YTCQYWCYTPBWTO-SNVBAGLBSA-N 308.407 1.335 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCO[C@H](c2ccccc2Cl)C1 69620227 HVCYZCOZDWDNGO-SKDRFNHKSA-N 311.769 1.297 0 40 DDAB CCOCCN1CCN(Cc2nnc(-c3ccco3)o2)CC1 69627199 OMOBWQXWEUWZCW-UHFFFAOYSA-N 306.366 1.484 0 40 DDAB FC(F)(F)Cn1ccnc1CN1CCC[C@@H]1Cn1cncn1 69601417 KODRRGYLIMMMLM-LLVKDONJSA-N 314.315 1.702 0 40 DDAB COc1cccc(C[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)c1 83877333 VVHWDFROBJGKAC-GJZGRUSLSA-N 316.401 1.707 0 40 DDAB CN(c1cc(Cl)nc(N)n1)[C@@H]1CCN(CC(F)(F)F)C1=O 71900450 USUAETPRRJINNY-ZCFIWIBFSA-N 323.706 1.312 0 40 DDAB O=C([C@H]1C[C@@H]1c1cccnc1)N1CCCN(c2cccnn2)CC1 69976876 AEQWKZZPEYWBFD-CVEARBPZSA-N 323.400 1.714 0 40 DDAB CCN(Cc1cccc(F)c1)C(=O)CNC[C@@H]1CN(C)CCO1 69926410 BOXDQTSOOKCOCB-MRXNPFEDSA-N 323.412 1.094 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1csc(-c2cccs2)n1 88375166 VSCFNDZLZLYQMK-SECBINFHSA-N 324.383 1.797 0 40 DDAB Cc1cc(NC(=O)[C@H]2CN(C)CCO2)nn1-c1cccc(F)c1 95989220 DOVQZOQEFMKPLC-CQSZACIVSA-N 318.352 1.589 0 40 DDAB Cc1cccc([C@@H](C)CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 95961126 BLIDKCIBGBAJAY-ZFWWWQNUSA-N 324.446 1.927 0 40 DDAB COc1ccnc(N2CCCN([C@@H]3CCCC[C@@H]3O)CC2)n1 95975865 CSANPLXZWLRRBX-KGLIPLIRSA-N 306.410 1.301 0 40 DDAB CC(=O)N1CC[C@H](NCc2cccc3c2OCCO3)[C@@H](C)C1 89937606 ULAZCVGHCVPJLA-WFASDCNBSA-N 304.390 1.804 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 170611239 SAYJXZPKFMGAKR-MCIONIFRSA-N 324.384 1.510 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2C)c(C)c1C 76058334 FYQQGXQNMFIZJO-GWCFXTLKSA-N 312.435 1.540 0 40 DDAB CN(C)C(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 306131338 KCDVBYYCJJAVFM-ZDUSSCGKSA-N 320.393 1.408 0 40 DDAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C=O)CC1 20105981 XHNMFVMMBPXETM-AWEZNQCLSA-N 310.781 1.798 0 40 DDAB Cc1ccc(F)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 25897879 ANQHZZYSYVKOAL-NSHDSACASA-N 314.382 1.744 0 40 DDAB c1cnc(NC[C@H]2CO[C@@H]3CN(Cc4ccoc4)C[C@H]23)nc1 306128692 HIJLSJOGTKNJDV-RRFJBIMHSA-N 300.362 1.629 0 40 DDAB O=C(O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccoc1 556776189 ZDPXEGRADHMLDQ-ZDUSSCGKSA-N 307.327 1.480 0 40 DDAB CS(=O)(=O)CCS[C@@H]1CCN(c2ccccc2F)C1=O 78996043 GQUBJYGBTLBVMN-GFCCVEGCSA-N 317.407 1.709 0 40 DDAB COc1cccc(N2CCN(C[C@H]3CCS(=O)(=O)C3)CC2)c1 434538539 ABZFPJRBPBCZTN-CQSZACIVSA-N 324.446 1.252 0 40 DDAB CC[C@@H](C)NC(=O)c1cc(-n2cnnc2)ncc1Br 32646962 SEKLDGMMJVXDDX-MRVPVSSYSA-N 324.182 1.953 0 40 DDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)NCCC(C)C 72325877 HWDVQQQCWNCHED-UHFFFAOYSA-N 303.362 1.573 0 40 DDAB biogenic COC(=O)CNC(=O)c1c(-n2cccc2)sc2c1CCC2 36367291 BNRFAQMUIKVHLM-UHFFFAOYSA-N 304.371 1.930 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1 72238133 WAJIQVDVANCEDP-DOMZBBRYSA-N 323.462 1.726 0 40 DDAB COC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(C)cc1 218416790 SHOQIVRAYXHNLG-OBJOEFQTSA-N 313.444 1.424 0 40 DDAB C[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O)[C@@H]1C[C@@H]2CC[C@@H]1C2 225634203 OJVWXXOEBPCHRM-IWNKIGTRSA-N 307.390 1.806 0 40 DDAB O=C(O)Cc1nc(CNc2ccc(Br)cc2)n[nH]1 40175874 MHUNIAINAPTIQK-UHFFFAOYSA-N 311.139 1.806 0 40 DDAB O=C(Cc1cccs1)NCCCc1cnc2ncnn2c1 225641336 YZUAVLFTHDZENR-UHFFFAOYSA-N 301.375 1.477 0 40 DDAB CN1CCC(N2C[C@@H]3Oc4ccccc4C(=O)N(C)[C@@H]3C2)CC1 514289233 GJSGDEMDWXHONK-WBVHZDCISA-N 315.417 1.298 0 40 DDAB biogenic,in-vitro COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Nc1cccc(C)c1 96245802 PRZLDNWQEJBVOL-LSDHHAIUSA-N 317.389 1.849 0 40 DDAB CS(=O)(=O)N[C@H]1COCCC12CCN(CC1CCC1)CC2 96216660 ADYRGYMLCIFGCS-AWEZNQCLSA-N 316.467 1.207 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C(=O)O)cn2)C1 96515916 SMJDOKXVSAQAMD-NSHDSACASA-N 307.350 1.883 0 40 DDAB O[C@@H](CN1CCC(CCN2CCOCC2)CC1)C(F)(F)F 97378134 YDDFRKOIFLLNQU-ZDUSSCGKSA-N 310.360 1.344 0 40 DDAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccccn1)C2 96109166 MMBCFSHGBNCARE-QAPCUYQASA-N 317.433 1.789 0 40 DDAB CN(Cc1cncnc1)[C@@H]1CN(C(=O)C2CC2)[C@@H]2CCCO[C@H]12 96186022 RPNIYQOWDKDJCQ-OAGGEKHMSA-N 316.405 1.077 0 40 DDAB O=C(COCc1nc(-c2cccnc2)no1)N1CCSCC1 96182109 WIDFEXPUOLUYFL-UHFFFAOYSA-N 320.374 1.224 0 40 DDAB CN1CC[C@]2(c3ccccc3)CCN(C(=O)CCC(=O)O)C[C@H]12 96083402 DASZLFWEGVIPEO-MAUKXSAKSA-N 316.401 1.726 0 40 DDAB CC(C)[C@@H](CO)NCc1ccc(S(=O)(=O)N(C)C)cc1 97094643 MAFIXHVPRWWWTI-CQSZACIVSA-N 300.424 1.043 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(C(=O)Cc1cccs1)CC2 96206583 MNSYHHWVQGWIRD-ZDUSSCGKSA-N 322.430 1.292 0 40 DDAB Cc1noc(C)c1CN1CCC2(CC[C@H](C(=O)N(C)C)O2)CC1 96111110 WIYXJACYZMLQKI-OAHLLOKOSA-N 321.421 1.893 0 40 DDAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC4CCCC4)C[C@@H]32)C(=O)N1C 96261421 KBVXHPGKHJFFPG-HACGYAERSA-N 318.421 1.610 0 40 DDAB O=C(c1ccncc1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96239163 MIAKPOZBAHZLAE-SFHVURJKSA-N 322.368 1.746 0 40 DDAB CN(CCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)C1CC1 96467160 MBFANLYDDRMJBO-CABCVRRESA-N 321.421 1.971 0 40 DDAB Fc1cnc(N2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)nc1 96223383 NRGPTCNDLNBXTP-GXTWGEPZSA-N 304.329 1.208 0 40 DDAB Cn1cc(CN2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@@H]32)cn1 248161222 XQSCRTMDXYYEIP-YESZJQIVSA-N 300.406 1.901 0 40 DDAB C[C@H](CN1CCCCCC1)NC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 249589320 OVNZCTJFHXEKPA-GGUVTUNTSA-N 321.465 1.662 0 40 DDAB O=C(NCCc1ccccn1)c1ccnc(-c2cncnc2)c1 257266654 MDXPTWQTINYKJP-UHFFFAOYSA-N 305.341 1.906 0 40 DDAB CN(c1ccncn1)C1CC2(CCN(C(=O)CCC(=O)O)C2)C1 257257507 KPXIWDGECVUGRN-UHFFFAOYSA-N 318.377 1.159 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccnn2C)[C@H](c2ccccc2)C1 257277598 NYRAXKVGMJVNKV-INIZCTEOSA-N 312.373 1.466 0 40 DDAB Cc1c[nH]c([C@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)n1 257310859 UGYLPTTXTSTAIR-AWEZNQCLSA-N 301.394 1.709 0 40 DDAB CN(CC(=O)N1CCO[C@H](c2cccc(N)n2)C1)C1CCCC1 257324974 WQZLGOCIVAXYKD-HNNXBMFYSA-N 318.421 1.438 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2c(C(C)C)noc2C)CCO1 257300337 RTWWBFIVBSKVRS-OAHLLOKOSA-N 309.366 1.084 0 40 DDAB COc1ccc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)cc1F 257226806 FMGKTSHEJSFGQL-HOCLYGCPSA-N 309.337 1.854 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3coc(C)n3)CCO2)nc(C)n1 257260347 LCMLIXKVWATADQ-AWEZNQCLSA-N 302.334 1.604 0 40 DDAB C[S@](=O)Cc1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1 262231892 YQFLNCPMKQUQEF-QFIPXVFZSA-N 323.414 1.892 0 40 DDAB COc1cc(C)ccc1CN(C)[C@@H]1COC[C@@H](OC)[C@H]1OC 585291327 PBHOCOHIFTUKRD-OIISXLGYSA-N 309.406 1.864 0 40 DDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ccc(C)cn2)C1 585279435 ZFLFBZNVQJSFOQ-INIZCTEOSA-N 305.378 1.277 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c(C)c1 585139910 UNNGOHBRRFVECP-TZMCWYRMSA-N 312.435 1.717 0 40 DDAB Cc1cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)n2ncnc2n1 69565443 HFUXPJDCLRVHQN-UHFFFAOYSA-N 324.323 1.969 0 40 DDAB Cc1cc(CC[C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)ccn1 585181341 RFKQJZRGNJWMKK-AWEZNQCLSA-N 320.418 1.899 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@H]2C 585097860 RYILRTLFVWUQNS-JTQLQIEISA-N 304.350 1.933 0 40 DDAB Cc1cccnc1OCC1CCN(c2cc(=O)n(C)cn2)CC1 585533035 UMXCBUVWCYKIFU-UHFFFAOYSA-N 314.389 1.779 0 40 DDAB NC(=O)c1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 69856963 KCZCPDNZBLHYMH-INIZCTEOSA-N 317.433 1.330 0 40 DDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](n2ccnc2)C1 69973799 MKAMTCJXRDNBRI-STQMWFEESA-N 313.423 1.260 0 40 DDAB C[C@H]1CN(Cc2nc(C3CC3)no2)CCN1Cc1nccn1C 69463613 VOLLCMQLEDCEEQ-LBPRGKRZSA-N 316.409 1.387 0 40 DDAB CC[C@@H]1CN(c2cnn(C)c(=O)c2Br)CCO1 71903093 VBSLSWFCOJUSTG-MRVPVSSYSA-N 302.172 1.158 0 40 DDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1Cc1ccccc1Cl 56276579 XZDKGKRREBSRQG-JQWIXIFHSA-N 309.797 1.930 0 40 DDAB O=C(c1ccccn1)N1CCCN(c2ncnc3[nH]cnc23)CC1 57140713 HZAFOWDPDUKVNI-UHFFFAOYSA-N 323.360 1.100 0 40 DDAB C[C@H](CN1CCCC1=O)NC(=O)c1cc(Cl)c2c(c1)OCO2 55812890 CUQNSMCHQPQBFA-SECBINFHSA-N 324.764 1.809 0 40 DDAB NC(=O)C1(NC(=O)[C@H]2COc3ccccc3O2)CCCCC1 73530399 AKOSGDLGPBTSOP-CYBMUJFWSA-N 304.346 1.131 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(Cc3c(C)noc3C)CCO2)n1 75132085 NARMVTTXDFWSNJ-CQSZACIVSA-N 305.382 1.401 0 40 DDAB Cc1noc(CCNC(=O)N[C@@](C)(CO)C2CCCCC2)n1 88547940 UUGFDRGLOXBXOZ-HNNXBMFYSA-N 310.398 1.551 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)c1nccn1C[C@@H]2C(=O)O 91302923 RCBQNOLINJGHOT-LLVKDONJSA-N 321.377 1.866 0 40 DDAB in-vitro CCn1c(C)nnc1S(=O)(=O)Cc1cccc(NC(C)=O)c1 108596654 AOYPEEHSMPXWHG-UHFFFAOYSA-N 322.390 1.539 0 40 DDAB Cn1cncc1CN1CCO[C@@](CO)(Cc2ccccc2)C1 1615191390 KSSZYIUWBFISMF-KRWDZBQOSA-N 301.390 1.226 0 40 DDAB O=C(O)CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13340710 GRAKSPGOIOCJBR-UHFFFAOYSA-N 321.738 1.181 0 40 DDAB Cn1cnnc1SCCC(=O)NC(=O)NCc1ccccc1 14074545 BRUNNVCTLGNZRR-UHFFFAOYSA-N 319.390 1.323 0 40 DDAB CCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16681662 ZSZRXFCBTCZQBE-UHFFFAOYSA-N 320.798 1.105 0 40 DDAB CC(Nc1cccc(C(=O)O)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 16955725 MKAYHNHQJYISHU-UHFFFAOYSA-N 317.301 1.121 0 40 DDAB COc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)c(F)c1 19286438 WHUREZHILRLYDT-UHFFFAOYSA-N 317.364 1.827 0 40 DDAB COC(=O)C[C@@H]1C(C(=O)O)=C[C@H]2CC(C)(C)C[C@@]12C(=O)CO 604377667 MXBHHWNJNMVKQA-ZXLZKYRFSA-N 310.346 1.174 0 40 DDAB biogenic,in-vitro COC[C@H]1CN(Cc2nnc(C3CCC3)n2C)CC(C)(C)O1 521919816 LQOJXOGXRJWNBG-CYBMUJFWSA-N 308.426 1.708 0 40 DDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(F)cc1F 3519831 FKVTUNSVMPFKOM-UHFFFAOYSA-N 317.251 1.884 0 40 DDAB Cc1ccccc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 10958651 PVNQRSYTHQMXJZ-UHFFFAOYSA-N 306.387 1.455 0 40 DDAB Cc1ccc([C@H](C)NC(=O)COC(=O)C2=COCCO2)cc1C 5894651 JGGGEWWLISOCKE-ZDUSSCGKSA-N 319.357 1.912 0 40 DDAB CSc1nc(C)cc(=N[C@@H]2CCN(C3CCOCC3)C2)[nH]1 1889064674 DQZJXKACRFZRNV-GFCCVEGCSA-N 308.451 1.594 0 40 DDAB COc1ccnc(N2CCC(COc3cnccn3)CC2)n1 1889102968 UCFXHNZTDFRYAZ-UHFFFAOYSA-N 301.350 1.571 0 40 DDAB O=C([C@H]1CN(CCOc2ccccc2)CCO1)N1CCCC1 1889130356 PAYJAMQAMZBMGN-MRXNPFEDSA-N 304.390 1.389 0 40 DDAB O=C(COc1ccc(F)cc1Br)N1CCOCC1 19817504 WANFYZMNOGWIPJ-UHFFFAOYSA-N 318.142 1.826 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 21873230 PTATYZHMYCABTK-AWEZNQCLSA-N 308.403 1.427 0 40 DDAB O=S(=O)(c1ccccc1Cl)N1CC(Nc2ncccn2)C1 253473229 STRBBJSMHJBOQN-UHFFFAOYSA-N 324.793 1.615 0 40 DDAB O=C(NC[C@@]1(O)CCOc2ccccc21)c1cc(C2CC2)on1 85470332 PJBIJHOBJUSPFH-KRWDZBQOSA-N 314.341 1.952 0 40 DDAB COC[C@H](C)NC(=O)CN(C)Cc1ccc(Br)o1 30215587 IWBVFBQCBNFMET-VIFPVBQESA-N 319.199 1.625 0 40 DDAB NC(=O)[C@H]1CC(C(=O)NCC2CCC2)=NN1c1ccccc1 31438450 DLRBNWCLSVDVGO-CQSZACIVSA-N 300.362 1.023 0 40 DDAB CNC(=O)CN(CCc1ccc(C(C)(C)C)cc1)CC(=O)NC 31476361 JJVOIRDHYHZKBA-UHFFFAOYSA-N 319.449 1.321 0 40 DDAB CCCn1c(=O)c(C(=O)NCCNCC)c(O)c2ccccc21 100602545 HJCHLSSUYAPZAL-UHFFFAOYSA-N 317.389 1.456 0 40 DDAB COCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40513691 UFSNSGLIBPXAIT-NSHDSACASA-N 312.801 1.499 0 40 DDAB O=C(NC[C@@H](O)COc1cccc(F)c1)Nc1nncs1 40553960 YXGVFCBTJPOTCL-SECBINFHSA-N 312.326 1.239 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F 51260040 FWILQBILRPBEHE-GFCCVEGCSA-N 310.300 1.863 0 40 DDAB Cc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1 31937425 RXETUXMOSIGZNF-INIZCTEOSA-N 321.446 1.328 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 32751136 USHDVTXELUBWHV-CYBMUJFWSA-N 321.348 1.885 0 40 DDAB Cc1cc([C@@H]2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)on1 52828087 YROOMMFNLYRTOL-NSHDSACASA-N 314.349 1.290 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 33212425 NWPZFYPHIHWJPB-AWEZNQCLSA-N 314.389 1.623 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1 181036 ACKPJNGQQZINFJ-UHFFFAOYSA-N 319.361 1.559 0 40 DDAB COc1ccc(-c2cc(N)n([C@H]3CCS(=O)(=O)C3)n2)cc1 12243767 FPWZMCROLKJZHA-NSHDSACASA-N 307.375 1.501 0 40 DDAB CN1CCN(c2ncc(CN3CCC[C@@H]3C3CCC3)cn2)CC1 92781067 PEOPFEIXYUMTAK-QGZVFWFLSA-N 315.465 1.993 0 40 DDAB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cccn2)ccn1 79015824 JOIRMZJFQZXHJC-STQMWFEESA-N 313.361 1.041 0 40 DDAB NC(=O)c1ccccc1OCCOc1ccccc1C(N)=O 3128856 XQMKHQJZZZXODW-UHFFFAOYSA-N 300.314 1.342 0 40 DDAB CCCn1nc(C(=O)NCc2ccc3c(c2)OCO3)ccc1=O 3327451 SIABJPOMHNWXNW-UHFFFAOYSA-N 315.329 1.312 0 40 DDAB CN(Cc1ccn(C)c(=O)c1)C[C@@H]1COc2ccccc2O1 42112788 BVXKQCCMTFJHMX-CQSZACIVSA-N 300.358 1.657 0 40 DDAB Cc1nnc(S[C@@H](C)C(=O)NCc2ccccc2)nc1O 4911691 RPHFQQHTEMNSBI-JTQLQIEISA-N 304.375 1.683 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 804586 BFPWQTXQOKXBKV-AWEZNQCLSA-N 324.402 1.589 0 40 DDAB Cc1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1 886402 KFVUEONLVFRVJM-UHFFFAOYSA-N 319.386 1.795 0 40 DDAB COCCCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10330754 SXLIYOQJXGPCDJ-UHFFFAOYSA-N 300.380 1.133 0 40 DDAB COc1ccc(C2=C3NN(c4ccccc4OC)N=C3NN2)cc1 8306910 YCWMOMKFIIYKTJ-UHFFFAOYSA-N 323.356 1.819 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)[C@@H]3C[C@H]3c3ccccc3)c12 57279822 PFRFSJMZDWSWFG-LSDHHAIUSA-N 323.400 1.998 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H]1CCOC1 106846096 AZDIDSKRWWGUCN-JTQLQIEISA-N 304.375 1.769 0 40 DDAB Cc1cc(=O)[nH]c(CSc2nnc(-c3cc(C)nn3C)o2)n1 57355768 BGXMXNFPPPRDAW-UHFFFAOYSA-N 318.362 1.463 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccc(F)cc1 48230397 QAWQVNOXXIEHAV-RISCZKNCSA-N 306.341 1.444 0 40 DDAB CCC(=O)N1CCN(c2ccc(-n3cnnc3)cc2Cl)CC1 57332487 WDZKTQCJACFAIJ-UHFFFAOYSA-N 319.796 1.979 0 40 DDAB C[C@@H]1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CCO1 58014298 YEYKUFVNKHKHFM-GFCCVEGCSA-N 319.361 1.891 0 40 DDAB Cc1ccn2cc(C(=O)NCCCOC[C@H]3CCCO3)nc2c1 44895439 JNSGXKRATYCGKL-CQSZACIVSA-N 317.389 1.958 0 40 DDAB O=C1CCCN1CCCNC(=O)N1CCc2sccc2C1 44895061 GLBFJJRKQFAKGX-UHFFFAOYSA-N 307.419 1.828 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101647823 QGEWJFXRHVWEEL-BNOWGMLFSA-N 314.451 1.353 0 40 DDAB O=C(O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100664272 QEVOOOHLWGANKM-DVVRBGAWSA-N 309.321 1.942 0 40 DDAB Cc1occc1C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 44911410 FVFMFFKLUQVDEF-ZFWWWQNUSA-N 308.378 1.055 0 40 DDAB COc1cc(CC(=O)NC2=NCCS2)cc(OC)c1OC 3336590 YMXZTEZRUPARMZ-UHFFFAOYSA-N 310.375 1.474 0 40 DDAB Cc1cc(NC(=O)CCn2c(-c3ccccn3)noc2=O)no1 58307608 GHHBIBFPAPQKFE-UHFFFAOYSA-N 315.289 1.224 0 40 DDAB COc1c(CNCCOc2ccc3c(c2)OCO3)c(C)nn1C 58406845 KTHKKLFJJLAHIG-UHFFFAOYSA-N 319.361 1.634 0 40 DDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CCC2)cc1 10745662 GUBWGWRXQDWOQA-UHFFFAOYSA-N 324.446 1.931 0 40 DDAB Cc1ccsc1C(=O)OCC(=O)NC(=O)NC1CCCC1 3510980 JBUPXNYHUVANTA-UHFFFAOYSA-N 310.375 1.982 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nn3cnnc3s2)c1C 12983575 CFZBGZKSKRAPIK-UHFFFAOYSA-N 304.335 1.586 0 40 DDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc(Cl)ccn1 60565856 NSHVAOVTLUONAY-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)C1=COCCO1 4085505 CBPXQLWMHLUYFU-UHFFFAOYSA-N 317.341 1.947 0 40 DDAB biogenic C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCCc1nccs1 65550833 OIKFONFFAYHKJD-NWDGAFQWSA-N 324.450 1.774 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1 5400775 XECWXVAIFLKDRM-UHFFFAOYSA-N 323.422 1.818 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)C1CCOCC1 14949549 CULNZAATYJXZEJ-OAHLLOKOSA-N 308.422 1.710 0 40 DDAB Cc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1 4976289 PAVFZHQKPLSKPC-UHFFFAOYSA-N 320.374 1.930 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 7813522 OXXCHTPHKDFEJI-LBPRGKRZSA-N 308.403 1.520 0 40 DDAB Cc1ccccc1CNC(=O)c1cccc(S(N)(=O)=O)c1 8269397 FTLWCSPXGTXIOJ-UHFFFAOYSA-N 304.371 1.572 0 40 DDAB Cn1cc(CNC(=O)c2ccc3c(c2O)OC(C)(C)C3)cn1 70040442 WUGFXCUFCRGTIG-UHFFFAOYSA-N 301.346 1.769 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)c1 69436439 MQSCEQBOYKPJDQ-AWEZNQCLSA-N 316.409 1.098 0 40 DDAB CC(C)c1noc([C@H](C)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)n1 69418715 ZPUBDMKXYRTQFP-FRRDWIJNSA-N 322.409 1.576 0 40 DDAB O=C1NCc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc21 69628432 RCMSONRCGLEUEM-RYUDHWBXSA-N 300.314 1.536 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)C1CCCC1 69660354 PVMDEYYTSIZLGX-JKSUJKDBSA-N 318.421 1.742 0 40 DDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3cc[nH]n3)c(C)c12 71826910 QRTRTMZXVTYXPT-UHFFFAOYSA-N 314.349 1.173 0 40 DDAB CCN1C[C@@H](C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1=O 71878943 IOWFMSFIPOMMNM-JTQLQIEISA-N 324.402 1.958 0 40 DDAB CCc1nc(C[S@](=O)CC(=O)Nc2cc(C)on2)cs1 69768965 ODHGGZCEQYURDA-HXUWFJFHSA-N 313.404 1.889 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3cc(C)on3)CC2)n1 69842340 COXMMOKPXSLJML-UHFFFAOYSA-N 317.349 1.052 0 40 DDAB CN(CC(=O)N1CCN(CC(C)(C)O)CC1)Cc1ccccc1 69952101 JQEHBEBSFOLUAY-UHFFFAOYSA-N 319.449 1.034 0 40 DDAB Cc1n[nH]c(NC(=O)c2nn(-c3ccc(F)cc3C)cc2O)n1 84101526 VLFTVEPUBBHNFL-UHFFFAOYSA-N 316.296 1.704 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)no2)cc1 28251648 QIGCRFVCIOKSHK-GFCCVEGCSA-N 320.370 1.567 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCc2nccn2C1 72278755 JDSSNOZHWKFURB-MFKMUULPSA-N 301.394 1.468 0 40 DDAB Cc1nc(C(=O)NCCc2n[nH]c(=O)[nH]2)c(-c2ccccc2)o1 97135315 HRTHFBXULWIJBL-UHFFFAOYSA-N 313.317 1.034 0 40 DDAB CC(C)Cn1cnc(S(=O)(=O)NCCNC(C)(C)C)c1 72307560 ZOFLFYZDMRSLTR-UHFFFAOYSA-N 302.444 1.206 0 40 DDAB O=C(CNC(=O)c1ccc2ccccc2c1)NCc1ncc[nH]1 95406919 QEBVWOAWBRURND-UHFFFAOYSA-N 308.341 1.609 0 40 DDAB CC1CCC(CNCC2(S(C)(=O)=O)CCOCC2)CC1 95449341 KBXFRMRCGSXCRJ-UHFFFAOYSA-N 303.468 1.996 0 40 DDAB CNC(=O)NC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 95985997 XSOWQDBZTGNAJE-GFCCVEGCSA-N 304.394 1.393 0 40 DDAB CC1(C)CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)C1 95997716 IDDYMLJYRBQMIE-OLZOCXBDSA-N 320.414 1.949 0 40 DDAB Cc1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)ncn1 95982735 RYOOHIHIOTWGDL-UHFFFAOYSA-N 308.389 1.984 0 40 DDAB CCn1cc(C(=O)N[C@H](C)COC)c(=O)c2cc(OC)ccc21 22236029 PUINNKGAXVLCGQ-LLVKDONJSA-N 318.373 1.795 0 40 DDAB C[C@H]1[C@@H](C)SCCN1C(=O)c1cnc2sccn2c1=O 89920065 NPLVCMGTKPBWHV-DTWKUNHWSA-N 309.416 1.722 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)CC1 75605849 ZWELQRIOSLQDNF-SNVBAGLBSA-N 324.812 1.572 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1 76045703 JBTYOMKNTAWGOE-AWEZNQCLSA-N 314.345 1.357 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)CCCn2cncn2)no1 76044001 UNKOWKWWNMACMC-NSHDSACASA-N 304.354 1.367 0 40 DDAB CC[C@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 22273691 UZYNYWYAIXSQBG-ZDUSSCGKSA-N 312.435 1.984 0 40 DDAB CN(C)CCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408709761 HOUIMLIMUXXLCS-UHFFFAOYSA-N 311.470 1.775 0 40 DDAB CC(C)(C)n1cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cn1 556176874 FHAWIOYXEKNSGI-KGLIPLIRSA-N 311.451 1.790 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2cc(Cl)ccc2[nH]1 32759837 YJVLFGAJQDEMTN-SNVBAGLBSA-N 312.778 1.738 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(=O)n(C)c2ncccc21 72389489 VATQSCHUEYXSEY-RYUDHWBXSA-N 302.378 1.525 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)n(C)n1 78061545 PTUUPWXRYKDLIG-QMTHXVAHSA-N 318.402 1.948 0 40 DDAB O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1cccc2c1COCC2 1571125628 GXLFJSMGLVQFQE-FIRUKDTASA-N 315.369 1.988 0 40 DDAB O=C(/C=C/CN1CCOCC1)N[C@H]1CCCOc2ccccc21 521396260 DWOKPJFZUIOWOY-ICFOYXHFSA-N 316.401 1.905 0 40 DDAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)COC)n1 72378465 ROUKLMUYFVCXRX-CYBMUJFWSA-N 315.377 1.535 0 40 DDAB C[C@@H](C(=O)Nc1nnn[nH]1)c1ccc(C[C@@H]2CCCC2=O)cc1 79474553 TXVHZVJHBCFMLT-MFKMUULPSA-N 313.361 1.854 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1cccc(OC)c1 79042168 HIUVDLOUJYDYFX-GFCCVEGCSA-N 313.419 1.519 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)N1CCSCC1 44955063 JHSYSYHBEPMMGH-UHFFFAOYSA-N 317.208 1.186 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(OC)cc2)c1=O 225967598 PFFZGBDEVJFSBU-UHFFFAOYSA-N 316.313 1.620 0 40 DDAB Cc1noc(C)c1CN1CCCC[C@@H]1CNS(C)(=O)=O 45957806 YZKZFQKGHNPZLS-GFCCVEGCSA-N 301.412 1.195 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(-n2ccnc2)nn1 75163806 OPNBXXMHDLDKLZ-UHFFFAOYSA-N 305.301 1.213 0 40 DDAB O=S(=O)(NC[C@H](O)c1ccoc1)c1ccc(Cl)cc1 75171832 IRMYNUNHGACAGO-LBPRGKRZSA-N 301.751 1.945 0 40 DDAB CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)C2CC2)C1 192941038 YUMJSFYCIBJTHK-CQSZACIVSA-N 309.435 1.328 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](Oc2cnccn2)C1 225795830 FMAHAQMSHAOASR-CYBMUJFWSA-N 315.377 1.429 0 40 DDAB COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cccc(Cl)c1F 225483168 IGLXNMWQFPXGIF-AAEUAGOBSA-N 301.745 1.977 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)no1 96046181 CDNUTKXACRYYPU-BFHYXJOUSA-N 303.366 1.464 0 40 DDAB c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)nc1 96047718 TUOGGBCLRAUXOH-DOMZBBRYSA-N 317.418 1.779 0 40 DDAB C[C@H](CNC(=O)NCc1nccn1C)Oc1cccc(F)c1 96440551 IEOWFZARGNCHFM-LLVKDONJSA-N 306.341 1.826 0 40 DDAB Cn1nc(C(=O)NCCNc2ccc3ccccc3n2)ccc1=O 96426916 PLYGJPOHGFPSKM-UHFFFAOYSA-N 323.356 1.170 0 40 DDAB Cc1cc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)oc1C 96185816 ZOENCTOOTINXNH-OKZBNKHCSA-N 320.433 1.960 0 40 DDAB O=C1N(Cc2ccccn2)CCC12CCN(c1ncccn1)CC2 96046904 OFTWAWJFXBVLGU-UHFFFAOYSA-N 323.400 1.891 0 40 DDAB Cn1cccc1[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2 97379381 MYWNJVFLANAMBC-CQSZACIVSA-N 300.362 1.451 0 40 DDAB C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@H](O)CO 96455461 JZKMUAYVSGBSLU-VXNVDRBHSA-N 313.202 1.822 0 40 DDAB COc1ccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OC)cc1F 248140430 PLXOJEZZGPDHEO-AEGPPILISA-N 309.337 1.853 0 40 DDAB CCN(/C=c1\sc2nc(-c3ccncc3)nn2c1=O)CC 256055758 SDKBXYPCKAMKKP-LUAWRHEFSA-N 301.375 1.012 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccnn1 257267783 MISPRVVYBQRPGN-PWXKEOIMSA-N 314.389 1.481 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(Cc3ncccc3C)CCO2)n1 257300920 RWFZUDWCCTVAEM-HNNXBMFYSA-N 300.362 1.768 0 40 DDAB O=C(CCCn1cccn1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257231821 GIHYGNDVDGFHDN-IIAWOOMASA-N 317.393 1.131 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c(O)c1 257236552 HCRSFIMKZRQLHW-IIAWOOMASA-N 320.389 1.118 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2cscn2)cc1 257221731 DQGYQYFOIRDMOL-CQSZACIVSA-N 303.387 1.938 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2cc[nH]n2)C1 257253270 JYFAOSRFJDDUIZ-LLVKDONJSA-N 321.406 1.081 0 40 DDAB CN1CCCC[C@@H]2[C@H]1CCCN2CC(=O)Nc1nncs1 257234677 GUPRXZDDKXCSPA-VXGBXAGGSA-N 309.439 1.425 0 40 DDAB Cc1cc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)ccn1 257234675 GUPJOESRXKZQPP-MRXNPFEDSA-N 314.389 1.873 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(O)n2)cn1 257332391 XXCYCRDCIWKFSR-GFCCVEGCSA-N 300.318 1.563 0 40 DDAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCOCC1 299111783 BMRKNECNULYBJT-UHFFFAOYSA-N 313.272 1.865 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)CC3CC3)CO2)C1 575406944 YUKPYSFCXUPWAE-BPLDGKMQSA-N 320.433 1.566 0 40 DDAB CO[C@H](CS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1)C1CC1 575921809 SAZWKZDMKVAEFH-GFCCVEGCSA-N 317.338 1.691 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cc(C)ccn1)[C@H]2C 585097421 LMYSJSUNHLWTJA-NSHDSACASA-N 301.350 1.345 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2occc2C)Cc2cccn2C1 585099027 CZTLHTDBMCEGJF-CYBMUJFWSA-N 315.373 1.798 0 40 DDAB CN1C(=O)CO[C@H]2CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C[C@@H]21 585285477 YUWKWAINNRPTNC-YRBFXIGRSA-N 324.465 1.495 0 40 DDAB CC(C)OCCCNC(=O)c1c(N)cnn1CC(F)(F)F 685936467 YWIDCNYWFSLVEA-UHFFFAOYSA-N 308.304 1.573 0 40 DDAB CCC[C@H]1SCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 72289977 KPAXYKQOPVJIDO-LLVKDONJSA-N 322.394 1.489 0 40 DDAB CCN1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O 46177760 FPZBGNVMXNGHOK-ZDUSSCGKSA-N 310.357 1.951 0 40 DDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC[C@@H](C(N)=O)C1 46941255 DQLJPSDIUULXDE-NXEZZACHSA-N 309.341 1.412 0 40 DDAB COc1ccc(CN2CCN(c3ncccn3)CC2)cc1F 48615778 JBCWNBYEZKBYBQ-UHFFFAOYSA-N 302.353 1.947 0 40 DDAB CC(=O)N1CCN(CCNc2ncnc3cccc(F)c23)CC1 54059214 PBYOLZUYOAPDMO-UHFFFAOYSA-N 317.368 1.345 0 40 DDAB Cc1noc2ncc(NS(=O)(=O)N3CCC[C@@H](C)C3)cc12 72301067 BAANRPMXSNPDSD-SECBINFHSA-N 310.379 1.920 0 40 DDAB CN(C(=O)CN1CCCS1(=O)=O)[C@H]1CCc2ccccc21 83855743 UZIJDAHBEZXEQG-AWEZNQCLSA-N 308.403 1.168 0 40 DDAB CC(C)N(CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CC1 76918196 ARSKVFAHMYWZAM-OAHLLOKOSA-N 321.465 1.624 0 40 DDAB Cc1nccc(C(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)n1 84290701 NJBKSTYDSROGKV-LBPRGKRZSA-N 316.365 1.240 0 40 DDAB NC(=O)C1(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 95942602 WCPMHEJDDSTQES-UHFFFAOYSA-N 317.267 1.767 0 40 DDAB C[C@H]1CN(S(=O)(=O)N(Cc2ccco2)C2CC2)C[C@H](C)O1 40496304 QFQDEOOIHTWVIX-RYUDHWBXSA-N 314.407 1.598 0 40 DDAB CCC(CC)[C@H](O)CNS(=O)(=O)c1c(C)nn(C)c1C 96483497 WWCLTUDRXIPOPP-GFCCVEGCSA-N 303.428 1.112 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1C 888107187 WQMQPMGKOYUSEK-UHFFFAOYSA-N 322.390 1.231 0 40 DDAB O=c1/c(=C/c2ccc(Br)cc2)sc2ncnn12 12580241 NNZFABCEKKYIQH-UITAMQMPSA-N 308.160 1.461 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCC3)n2)o1 12182597 ZLSNOPRWAISYGD-UHFFFAOYSA-N 302.334 1.016 0 40 DDAB C[C@@H]1CN(Cc2nc(-c3cccnc3Cl)no2)CC[C@@H]1O 13996421 OKMUEJNICCBMHH-KOLCDFICSA-N 308.769 1.988 0 40 DDAB COCC(=O)N[C@H](C)c1nc2c3c(C)c(C)oc3ncn2n1 19559519 RHSSMAOLGSGOFU-MRVPVSSYSA-N 303.322 1.311 0 40 DDAB COc1ccc(C)cc1NC(=O)Cc1c(C)nc(C)[nH]c1=O 19937453 VPXIDYYWOFQFSY-UHFFFAOYSA-N 301.346 1.885 0 40 DDAB COc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937532 IBXYIFJNEBVJDA-SNVBAGLBSA-N 315.373 1.815 0 40 DDAB COc1ccccc1[C@H](CNC(=O)NC1CCOCC1)OC 225558352 DCPLYOVUTJQTII-HNNXBMFYSA-N 308.378 1.861 0 40 DDAB CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1nnc(C2CC2)n1C 521920400 LTPIPWIZPJNVIP-QLFBSQMISA-N 320.437 1.708 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)O1 19791865 KPPPRBSSKFAOIA-RYUDHWBXSA-N 306.362 1.506 0 40 DDAB CC1(C)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 5313070 FPVMRXBVGOMOQB-UHFFFAOYSA-N 321.402 1.225 0 40 DDAB O=C1NC(=O)[C@]2(CCN(c3nc4c(Cl)cccc4s3)C2)N1 1888866564 ONQUSVKXOGUJSN-CYBMUJFWSA-N 322.777 1.738 0 40 DDAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21870294 SIQDQSIENHMYIO-NSHDSACASA-N 304.346 1.337 0 40 DDAB O=S(=O)(C1CC1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238856014 JYJBFRXLXKXTJP-ZIAGYGMSSA-N 319.386 1.745 0 40 DDAB COCCN1[C@H]2CC[C@H]1CN(C(=O)c1ncnc(C)c1C)C2 1565556724 ZIHCNULVPJDQSE-KBPBESRZSA-N 304.394 1.029 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C 1565542107 NKYXEXDZDRZQPE-GFCCVEGCSA-N 324.450 1.419 0 40 DDAB O=C(N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1CCC1 2055729725 CGCKEZFWWICGQT-CHWSQXEVSA-N 319.405 1.015 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1c2ccccc2C[C@H]1C(=O)O 72402073 CASGVVWONVPEQW-SDDRHHMPSA-N 303.314 1.386 0 40 DDAB O=C(NC1=NCC(O)=N1)c1cccnc1OCC(F)(F)F 50223240 NTKOORGCJWCEJZ-UHFFFAOYSA-N 302.212 1.079 0 40 DDAB O=C(CN1CCN(CC2CCCCC2)CC1)N1CCOCC1 40466297 IRAFVCBIPOGZKU-UHFFFAOYSA-N 309.454 1.043 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 40597803 ABINEQJIFJUHTF-LLVKDONJSA-N 302.827 1.960 0 40 DDAB Cc1ccc2nc(C(=O)N3CCC4(CC3)OCCO4)cn2c1 20720449 GKQSQJZIKZVIEC-UHFFFAOYSA-N 301.346 1.622 0 40 DDAB C[C@@H]1NC(C(=O)NCc2ccco2)=NN(c2ccccc2)C1=O 32633038 GJSORYGHXRIQOZ-NSHDSACASA-N 312.329 1.234 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccccc1 102301060 ZBAXTOHYCMBZQU-GASCZTMLSA-N 312.369 1.297 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCC(NC(=O)c2ccccc2)CC1 32860390 WFDHFXMINUZYOU-CYBMUJFWSA-N 315.417 1.548 0 40 DDAB C[C@H](c1cccs1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52826856 WWRQYBZZXUOMSQ-SECBINFHSA-N 303.391 1.911 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@@H](C)C1 543722 FAXNGEHCHUXDHL-YDHLFZDLSA-N 320.389 1.590 0 40 DDAB NS(=O)(=O)c1ccc(N2CCCCCCC2)c(C(=O)O)c1 37309304 DBOFKPWDGQRGBP-UHFFFAOYSA-N 312.391 1.803 0 40 DDAB O=C(CSc1nnc2ncccn12)Nc1ccccc1F 1365357 JGDFFWUGOUFOQL-UHFFFAOYSA-N 303.322 1.994 0 40 DDAB Cn1nccc1CNS(=O)(=O)N1CCC[C@H]1c1ccco1 78879889 LTQNUGYZIPUEIB-LBPRGKRZSA-N 310.379 1.185 0 40 DDAB C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NC2CC2)C1=O 79483246 MRMMOIOPMRLAKA-KRWDZBQOSA-N 300.358 1.372 0 40 DDAB CN1CCN(S(=O)(=O)N2CCCCC2)[C@@H](c2ccccc2)C1 22843410 TYBYQKOONISGPE-MRXNPFEDSA-N 323.462 1.706 0 40 DDAB CCCCn1c(N)c(N(CC)C(=O)C2CCCC2)c(=O)[nH]c1=O 3440079 VRFFPZZVECXXJW-UHFFFAOYSA-N 322.409 1.462 0 40 DDAB CN(C(=O)c1cccc(-n2ccnn2)c1)[C@@H](CO)C(C)(C)C 97112935 NRGUMRJBMKPVSA-AWEZNQCLSA-N 302.378 1.746 0 40 DDAB CN(C)C(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 6378879 ULVUACFXVBYTDS-UHFFFAOYSA-N 303.343 1.652 0 40 DDAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1 6817899 JELJZQMBHUNVKW-UHFFFAOYSA-N 318.424 1.307 0 40 DDAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1C 6961453 WIHFEJCHHPGMOT-RIYZIHGNSA-N 324.340 1.703 0 40 DDAB O=C(Cn1cncn1)N1CCN(Cc2ccc(Cl)cc2)CC1 42674575 JTNCIHGAOONAPM-UHFFFAOYSA-N 319.796 1.276 0 40 DDAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cn1 42720594 GKAISBUYNJTRNY-LBPRGKRZSA-N 303.362 1.677 0 40 DDAB CCN(CC)C(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C 24009470 TXEMJAPPYHFLOJ-NSHDSACASA-N 324.377 1.832 0 40 DDAB CCN(C)c1ncc2c(c1C(=O)O)CCN([C@H]1CCOC1)C2 107211029 KDVRQBQNKXMFDO-LBPRGKRZSA-N 305.378 1.383 0 40 DDAB CCOCc1ccc(CNC(=O)Cn2cccnc2=O)cc1 24745452 OGNUXWISTNFIPU-UHFFFAOYSA-N 301.346 1.096 0 40 DDAB Cn1c(CN2CCC[C@H]2c2cccs2)cc(=O)n(C)c1=O 57378745 PBUMWRKCOCKUSV-LBPRGKRZSA-N 305.403 1.483 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1 25301569 ZWEZKKJHCFLMNW-OAHLLOKOSA-N 312.373 1.613 0 40 DDAB Cn1cnnc1CNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 57155018 PZZMUMZKFXKIAV-HNNXBMFYSA-N 313.405 1.344 0 40 DDAB O=S(=O)(O)CCCCOC[C@@H]1COc2cscc2O1 72266074 OIRKLPHRLOQDLU-SECBINFHSA-N 308.377 1.573 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC1CCCCC1 102803219 NQLOWZDPHFOGAJ-GVARAGBVSA-N 302.374 1.242 0 40 DDAB COc1cc(C(=O)Nc2cc[nH]n2)cc(Cl)c1OCC(N)=O 58181007 JAQFBMRJHVFXEG-UHFFFAOYSA-N 324.724 1.188 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cn1 44893938 NDDMTOHVNSOUEU-BDJLRTHQSA-N 314.341 1.935 0 40 DDAB O=C(Nc1c[nH]ccc1=O)c1nc(N2CCCC2)ncc1Cl 44977728 YGQHSXXXVPKLQV-UHFFFAOYSA-N 319.752 1.671 0 40 DDAB C[C@H](NCCn1cccn1)C(=O)NCc1ccccc1Cl 72267807 JIHSQFLZULIKNG-LBPRGKRZSA-N 306.797 1.831 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3)C2)cn1 44937398 FVQAPZKBQJUYRO-ZDUSSCGKSA-N 320.418 1.225 0 40 DDAB Cc1cn2nc(N3CCN(c4nccs4)CC3)sc2n1 28069568 NODFRCGUJGOYMT-UHFFFAOYSA-N 306.420 1.882 0 40 DDAB CCc1csc([C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 72282279 RSTDWSHTMZYSRY-NSHDSACASA-N 305.407 1.703 0 40 DDAB C[C@H]1Oc2c(cccc2C(=O)N2CCc3cncnc3C2)NC1=O 95396043 FMPXWCHNDKYQFL-SNVBAGLBSA-N 324.340 1.395 0 40 DDAB CCCCN(CC(N)=O)Cc1nc(-c2ccc(F)cc2)no1 45805229 YRZRXORTFIKCEG-UHFFFAOYSA-N 306.341 1.963 0 40 DDAB COc1ncnc(OC)c1C(=O)N1CCN(C)c2ccccc21 171909612 SZGJVALWNWZNSN-UHFFFAOYSA-N 314.345 1.590 0 40 DDAB Cc1noc(CS(=O)(=O)[C@@H](C)C(=O)N(C)c2ccccc2)n1 46129800 KOJHAHUNHBLPIA-JTQLQIEISA-N 323.374 1.344 0 40 DDAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)n1 27976135 STKSZNIMWGMKAW-GFCCVEGCSA-N 324.344 1.772 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OC(C)C)nc1 48515352 AAHQGMITYYHCST-AWEZNQCLSA-N 305.378 1.496 0 40 DDAB CCN(CC)S(=O)(=O)NCc1ccccc1Cn1cccn1 12917630 ZHUWDSWMHMNHOV-UHFFFAOYSA-N 322.434 1.608 0 40 DDAB Cc1cccnc1CSc1n[nH]c(=O)n1C[C@H]1CCCO1 92849663 VCGLDYDVBFPVKR-LLVKDONJSA-N 306.391 1.746 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 9647829 AARKSZGWHROZNB-CYBMUJFWSA-N 309.410 1.792 0 40 DDAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCC)C(=O)[C@H]13)O2 4044223 PVOCUWNFIPNMEB-VWPFQQQWSA-N 307.390 1.912 0 40 DDAB biogenic C[C@H](Cn1ccnc1)NC(=O)NCc1ccnc(N(C)C)c1 65402351 IJXXLELAWXEXTG-GFCCVEGCSA-N 302.382 1.232 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@H](N2CCCC2)C1 65418960 UWSJWMRCIDKUTB-GJZGRUSLSA-N 305.426 1.541 0 40 DDAB COc1ccc(CNS(=O)(=O)C[C@@H]2CCOC2)cc1OC 65541481 JVKBITJJHRGLFS-GFCCVEGCSA-N 315.391 1.160 0 40 DDAB CC1=NN(C(=O)[C@H](C)n2cc(C)cn2)[C@@](O)(C(F)(F)F)C1 6790143 WPQHLLQKJOIRNI-ONGXEEELSA-N 304.272 1.612 0 40 DDAB COc1ccc(N2C(=O)C=C(NCc3ccncc3)C2=O)cc1 4818574 BHIZSSYCKYQMJS-UHFFFAOYSA-N 309.325 1.637 0 40 DDAB C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N1CCCC1 7036108 FEYIAWNMQDRKJS-JTQLQIEISA-N 319.390 1.471 0 40 DDAB CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683613 YMYSDCAVEBVSLZ-LLVKDONJSA-N 302.783 1.239 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)COc1ccccc1NC(C)=O 7895619 VJTVKYMPUSSTOT-NSHDSACASA-N 321.377 1.055 0 40 DDAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cnccn1 96431480 FUWPXLZPIKRZFS-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB CC(C)S(=O)(=O)CCN1CCN(C(=O)C2CCCC2)CC1 96455298 VXHDJWLZWSBCLG-UHFFFAOYSA-N 316.467 1.144 0 40 DDAB CCSc1ccc(C(=O)Nc2cc(C(N)=O)n(C)c2)cn1 69375334 HDPIJVBISYWDMO-UHFFFAOYSA-N 304.375 1.883 0 40 DDAB CN1C[C@@H](NC(=O)CCCC(=O)c2ccc(F)cc2)CC1=O 69440602 OYKLXHKSTPEVOW-ZDUSSCGKSA-N 306.337 1.526 0 40 DDAB Cc1csc(N2CCCN(Cc3nnc(C)n3C)CC2)n1 71824908 GOYULDUJJHPUIM-UHFFFAOYSA-N 306.439 1.601 0 40 DDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc[nH]n1 69511494 PGQHHWKOSUCUBV-CQSZACIVSA-N 312.329 1.405 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)n1 71828031 ALMALFFQDSJTGS-AWEZNQCLSA-N 314.393 1.200 0 40 DDAB CN1C[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C)CCC1=O 83881662 QCFYQXPGGLHGMW-AWEZNQCLSA-N 316.405 1.811 0 40 DDAB C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCCN(C2CC2)CC1 83888870 GTXKTHPHWVHCEJ-AWEZNQCLSA-N 321.465 1.768 0 40 DDAB CN(CCOc1ccc(F)cc1)S(=O)(=O)[C@@H]1CCOC1 69703157 PGJBWJLSNUFDHS-CYBMUJFWSA-N 303.355 1.255 0 40 DDAB O=C1CC[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)N1 69970979 HFKJQPDTSDIWSO-LLVKDONJSA-N 304.737 1.743 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H]1Cn1cccn1 69951908 ARQSIRFQWLCPEC-HNNXBMFYSA-N 323.360 1.164 0 40 DDAB CC(C)N1C(=O)C[C@@H](Nc2ncnc3cc(F)c(F)cc23)C1=O 95412125 DVIGKXQFCRNKJN-GFCCVEGCSA-N 320.299 1.856 0 40 DDAB O=C1NCCCC[C@H]1N1CCN(Cc2ccc(Cl)cn2)CC1 95994219 DIIYLFLYKQPXLE-OAHLLOKOSA-N 322.840 1.521 0 40 DDAB Cc1c(C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)cnn1C 95981850 PYSAKIVCZJIYLH-UHFFFAOYSA-N 324.388 1.567 0 40 DDAB Cc1noc(C)c1CN1CCO[C@@H](CN(C)c2cccnn2)C1 89529364 ZYFKPRYNLIIOCP-AWEZNQCLSA-N 317.393 1.419 0 40 DDAB CCn1ccnc1CN[C@@H]1CCCN(Cc2noc(C)n2)C1 75130877 CUQZOZVMVKTNDQ-CYBMUJFWSA-N 304.398 1.349 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)C1CC1 75121462 HUJXAKCGIBRWAE-SNVBAGLBSA-N 312.373 1.598 0 40 DDAB C[C@@H]1CC(C)(C)C[C@](CO)(NCCCS(=O)(=O)N(C)C)C1 89920172 QMUSPZADJJQRRG-UKRRQHHQSA-N 320.499 1.435 0 40 DDAB Cn1nccc1/C=C/C(=O)N(CCS(C)(=O)=O)C(C)(C)C 123462527 MIJCQMKRMNYHHQ-VOTSOKGWSA-N 313.423 1.105 0 40 DDAB CN(C)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409385066 HBRUKNFHNMUOJI-XJIUQZFPSA-N 316.357 1.735 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 32879657 NVJOBODXXNJOEN-VIFPVBQESA-N 316.361 1.663 0 40 DDAB CC(C)(C)n1nnnc1CN1CCN(c2ccc(F)cc2)CC1 35311194 GXRLQTISWOHCJO-UHFFFAOYSA-N 318.400 1.889 0 40 DDAB CCOC(=O)CN1CCO[C@@H](COc2ccccc2Cl)C1 217483258 YFSZUDKSJONJPU-GFCCVEGCSA-N 313.781 1.983 0 40 DDAB Cc1nc(NCC(=O)N2CCCCC2)cc([C@H]2CCCN2)n1 72365286 ODYISMKNJLIFQH-CYBMUJFWSA-N 303.410 1.634 0 40 DDAB COC(=O)c1ccccc1NC(=O)c1ccc(-n2cccn2)nn1 70641172 PTPGTIWGOZXPFI-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CC(C)OCCN1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 74391261 QVPJQFKATJFJAR-MRXNPFEDSA-N 318.417 1.732 0 40 DDAB Cc1ccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 72364478 WDVIPOFMIXPOAU-ZDUSSCGKSA-N 320.418 1.692 0 40 DDAB CCOC(=O)c1cn[nH]c1NC(=O)Cc1ccccc1C(=O)O 71283301 QEUUGFSLFBOPAR-UHFFFAOYSA-N 317.301 1.466 0 40 DDAB O=C(NCC1CCOCC1)c1ccnc(C2CCNCC2)c1 72365710 LZXNBCUZYLYBJL-UHFFFAOYSA-N 303.406 1.705 0 40 DDAB O=C(NC[C@@H]1CNCCO1)c1ccc(OC(F)(F)F)cc1 131136345 MZJCSGOFVGAKLE-NSHDSACASA-N 304.268 1.303 0 40 DDAB CCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954391 NDIVSJZWTYWYDR-CYBMUJFWSA-N 314.407 1.202 0 40 DDAB OCC1(NCc2cnc(-c3ccccn3)s2)CCOCC1 84662926 HWLVWVRBPKSTOC-UHFFFAOYSA-N 305.403 1.836 0 40 DDAB O=C(NCCSc1ncn[nH]1)c1conc1-c1ccccc1 225869619 ZAWYMBCSHPVFQI-UHFFFAOYSA-N 315.358 1.982 0 40 DDAB CN1CCN(C(=O)c2cc3cccc(Cl)c3oc2=O)CC1 226040311 XFLNMAVNKIPTCF-UHFFFAOYSA-N 306.749 1.834 0 40 DDAB COc1ccccc1N1CCC[C@@H](NC(=O)c2ccc[nH]2)C1=O 96411310 BTPORNGVKFQGEH-CYBMUJFWSA-N 313.357 1.949 0 40 DDAB COCCN1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@@H]2C1 96082345 NMPVEYKURBRXRO-RHSMWYFYSA-N 308.397 1.999 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158292 YKCDDEQEJMYBAQ-OAHLLOKOSA-N 322.434 1.261 0 40 DDAB CS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccs2)CC1 331477041 PDKSKTJEOSMTEK-LBPRGKRZSA-N 301.433 1.716 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1c1ncnc2ccc(F)cc12 96455838 UODYMCCDLWIDFU-LLVKDONJSA-N 324.381 1.287 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1=CCCCC1 96454867 URAVKAIYYUGJOL-ZDUSSCGKSA-N 300.424 1.417 0 40 DDAB CC(C)OCCS(=O)(=O)N1CCN(Cc2ccco2)CC1 96451008 XUQLOJIPPFIMTI-UHFFFAOYSA-N 316.423 1.152 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1 96181867 XPNBXIXGKOPZHN-HOCLYGCPSA-N 320.364 1.594 0 40 DDAB Cc1ccccc1C[C@@H](CNC(=O)[C@@]1(C)CCCO1)C(=O)O 95970674 OWOQSXSNOMZUJR-WMLDXEAASA-N 305.374 1.924 0 40 DDAB COC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1 96187759 STGBWJGOWVJWNN-ZDUSSCGKSA-N 321.402 1.350 0 40 DDAB CCCN1CC[C@@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 96225967 ZUHDDTFVLPGGRD-MRXNPFEDSA-N 317.393 1.032 0 40 DDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(C1CCC1)C2 96039794 XYZHAQHMYXBJQV-WBVHZDCISA-N 310.438 1.515 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2ncoc2C)CCO1 257249730 JJNXOROAIIVIOU-SNVBAGLBSA-N 303.322 1.028 0 40 DDAB COc1ccc(-c2noc(CN3CCO[C@@H](C)C3)n2)cc1OC 25755842 VYAAFHDAZJTVLH-NSHDSACASA-N 319.361 1.975 0 40 DDAB CC(C)(C)OC(=O)N1CCNC[C@H](COc2ncccn2)C1 257219782 DICJHWADWLOAEY-LBPRGKRZSA-N 308.382 1.312 0 40 DDAB c1cnc(C[C@@H]2CC3(CCN(Cc4ncc[nH]4)CC3)CO2)cn1 257262511 LLRTVSPFPUVDRW-OAHLLOKOSA-N 313.405 1.814 0 40 DDAB Cc1cc(C(N)=O)nc([C@]2(C)CCCN2Cc2cnn(C)c2)n1 257268261 MKXTUZDIXWSOTG-INIZCTEOSA-N 314.393 1.129 0 40 DDAB O=C(NCCN1CCCC1)Nc1cccnc1N1CCCC1 69517401 IHCZMYZNJZTZLW-UHFFFAOYSA-N 303.410 1.899 0 40 DDAB O=C(C[C@@H]1CNCCO1)N1CCC[C@H]1CCc1ccccc1 390835093 CJJMUFLDWZXNPN-DLBZAZTESA-N 302.418 1.989 0 40 DDAB O=C(N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1)C1(F)CC1 575405276 RYVMXAZHBPKMHY-AWEZNQCLSA-N 320.364 1.860 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@@H]2C 585098158 VGDYIZNOBJLKDE-SECBINFHSA-N 317.349 1.507 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585289029 MLSHPIMQTPMCEJ-QGZVFWFLSA-N 303.358 1.724 0 40 DDAB Cc1nn(C)c(C)c1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO 585292477 JJBOVDYNSYXKKG-KZNAEPCWSA-N 315.417 1.358 0 40 DDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC(CO)CC1 46091273 RUUMJZCJNFSEFQ-GFCCVEGCSA-N 320.389 1.124 0 40 DDAB COCCC(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 75415739 GGYAKOJDMPKABB-UHFFFAOYSA-N 306.406 1.661 0 40 DDAB CN1CCN(C2CCN(C[C@H](O)c3ccccc3)CC2)C1=O 75604085 WOVUWNRMHDUMHT-INIZCTEOSA-N 303.406 1.552 0 40 DDAB CN1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1=O 75723766 SDDHDSNMWPLVBE-RDJZCZTQSA-N 309.369 1.766 0 40 DDAB Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@H](C)O 84185544 LQTLMVDBQOEWJZ-ZDUSSCGKSA-N 321.421 1.224 0 40 DDAB O=C(NCCc1ccccc1)N1CCOC2(CCOCC2)C1 90608863 XUNUMPLHLIFUNN-UHFFFAOYSA-N 304.390 1.820 0 40 DDAB O=C1[C@H]2C[C@H]2C(=O)N1C[C@H](O)c1ccccc1Br 89583181 CYJYMVSGKWGIGM-NGZCFLSTSA-N 310.147 1.487 0 40 DDAB COc1ccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5586504 KLUZYEGTLUGPHC-QWRGUYRKSA-N 315.441 1.699 0 40 DDAB CCOc1ncccc1-c1noc(CN2CCC(O)CC2)n1 12234035 HOUYACVJNRLXDR-UHFFFAOYSA-N 304.350 1.487 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 16959382 BOWYWMCTBVCNNW-ZDUSSCGKSA-N 312.391 1.448 0 40 DDAB COc1ccccc1[C@@H]1CC(=O)C[C@@H](Nc2nonc2N)C1 19974052 SJOMZLRRAJNANB-UWVGGRQHSA-N 302.334 1.978 0 40 DDAB CCCn1cc(C(=O)NCCc2nnc3n2CCCC3)cn1 166249939 LVUUVFRMUUYGNK-UHFFFAOYSA-N 302.382 1.193 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 225437765 LSAZQDSQMCECBY-CHWSQXEVSA-N 303.362 1.821 0 40 DDAB C[C@@]1(NC(=O)CNc2cc(F)cc(F)c2)CCS(=O)(=O)C1 11009678 SDROBAABRSPPCJ-CYBMUJFWSA-N 318.345 1.070 0 40 DDAB CCOC(=O)c1sc(NC(=O)C2=NN(C)C(=O)CC2)nc1C 16707740 DYINRYALIWJNQB-UHFFFAOYSA-N 324.362 1.175 0 40 DDAB C[C@@H]1NCCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 91496841 UIPPRYSCXLXBMY-WRWORJQWSA-N 308.325 1.523 0 40 DDAB O=C1CC(C(=O)N2CC3(C[C@H](N4CCCC4)CS3)C2)=CC=N1 2056224063 BRWSYVDJXNUGHD-ZDUSSCGKSA-N 319.430 1.096 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ncc(OC)cn1)C2 1147034670 ZNWUWYIJQUCQGX-BBRMVZONSA-N 321.377 1.143 0 40 DDAB O=C(Cc1ccc(F)cn1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 1565548905 LYKUWGJLYCEMRZ-HOTGVXAUSA-N 315.348 1.363 0 40 DDAB CC(C)CN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cn1 1565547782 SEERDVWGVFPBEL-LSDHHAIUSA-N 319.380 1.621 0 40 DDAB CCOC(=O)CCC(=O)Nc1c(C(N)=O)oc2ccccc12 4851895 BGHFPNQPHJNBQC-UHFFFAOYSA-N 304.302 1.814 0 40 DDAB COc1ccc(OC)c(C(=O)Nc2nnc(-c3ccno3)o2)c1 12234675 SBNSTAZOVLZEAF-UHFFFAOYSA-N 316.273 1.994 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CC2)CNC(=O)C3)cc1F 267638752 SJMUVCSAUCFIEI-UHFFFAOYSA-N 320.364 1.506 0 40 DDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cccc(N(C)C)c1 575617209 QZSNNFGJYXMDGI-HNNXBMFYSA-N 301.394 1.799 0 40 DDAB C[C@@](O)(CNS(=O)(=O)c1cccnc1)Cc1ccsc1 618254883 GHCDWERAYSZZIC-ZDUSSCGKSA-N 312.416 1.415 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc3cn[nH]c23)C1 96419347 JEARJJZSTMOHHX-NEPJUHHUSA-N 321.402 1.649 0 40 DDAB COc1ncccc1CNC(=O)Cc1ccc2c(c1)OCCO2 30307190 YEBBTGQEPCPAOF-UHFFFAOYSA-N 314.341 1.720 0 40 DDAB CN(C(=O)c1ccn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 30870233 ABFLUUIPXMJIJE-ZDUSSCGKSA-N 319.386 1.131 0 40 DDAB C[C@H]1c2ccc(-c3nnn[nH]3)n2CCN1C(=O)OC(C)(C)C 20282605 ZKUOUMWEDZGGNM-VIFPVBQESA-N 304.354 1.980 0 40 DDAB CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 40468856 NNINFNNFNRPXAY-UHFFFAOYSA-N 309.313 1.182 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1ccc2[nH]nnc2c1 40489051 VJGJOMPMALPUJW-UHFFFAOYSA-N 311.349 1.206 0 40 DDAB CN(C)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 40520138 WUZHZYIQUDQRDO-UHFFFAOYSA-N 314.315 1.674 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)NCc2cc3c(s2)CCCC3)n1 20614951 QDOPOZXNLVHBDC-UHFFFAOYSA-N 319.386 1.989 0 40 DDAB C[C@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 20938916 WGNOHSWMKMBAHI-STQMWFEESA-N 302.374 1.782 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)s1 32548713 KUKWQLGDZIQWAP-UHFFFAOYSA-N 302.421 1.251 0 40 DDAB O=C(O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 367487 QMQAKWQFIWQLTK-UHFFFAOYSA-N 302.311 1.946 0 40 DDAB COc1ccc(CC(=O)Oc2cccc(-n3cnnn3)c2)cc1 21798554 XXUDYXPYLBQNDY-UHFFFAOYSA-N 310.313 1.819 0 40 DDAB C[C@H]1CCN(CC(=O)N[C@@H]2CCCCNC2=O)c2ccccc21 52674040 YJDFFOOKCQIUSL-DZGCQCFKSA-N 315.417 1.785 0 40 DDAB Cc1nc2ccc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@@H]43)cc2s1 32912391 ZPJKOYWIEKHWIO-SKDRFNHKSA-N 322.411 1.755 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCCC1 33026157 KZIIYYJSHHJCMW-UHFFFAOYSA-N 310.419 1.953 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)cc1 33212353 WUSSSAIUQAMPFF-AWEZNQCLSA-N 313.361 1.008 0 40 DDAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCOCC1)C(=O)C2 415911 UFVYTBAYGAJUQD-FZMZJTMJSA-N 301.408 1.044 0 40 DDAB NCCN1C(=O)c2ccccc2[C@@]1(O)c1ccc(Cl)cc1 1572315 KJJNDJAXTRLOOD-INIZCTEOSA-N 302.761 1.948 0 40 DDAB in-vitro Cc1nc(CC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)cs1 53524109 LRKSHDWTXVRJKZ-UHFFFAOYSA-N 300.347 1.235 0 40 DDAB Cc1cc(N)nc(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 53561808 JSTLECHIIBTGKZ-VXGBXAGGSA-N 322.434 1.629 0 40 DDAB CC[C@H](C)NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 2887985 APJABZGZUMWFAC-VIFPVBQESA-N 320.418 1.647 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cn1 104125924 LOEUJUHYEOKZFS-AWEZNQCLSA-N 323.352 1.848 0 40 DDAB CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H](C(N)=O)C2)n1 42382042 LVMWKIXEYJTPOX-NSHDSACASA-N 322.409 1.414 0 40 DDAB Nc1nc(N)nc(-c2ccccc2NC(=O)c2ccccc2N)n1 4984605 CLDUGXDZMWRXNT-UHFFFAOYSA-N 321.344 1.538 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)c(F)c1 6113830 TVTQUKNYXNHWIW-UHFFFAOYSA-N 312.297 1.225 0 40 DDAB Cc1csc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3)n1 61718918 FMHKSHVLPJVIIM-UHFFFAOYSA-N 317.414 1.991 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 54986912 QNIQXOOCVLBKNJ-NSHDSACASA-N 302.334 1.573 0 40 DDAB C[C@@H]1CCc2c(C(=O)OCc3nc(N)nc(N)n3)csc2C1 8709173 NEVWVHXIMDPSID-SSDOTTSWSA-N 319.390 1.579 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(S(N)(=O)=O)c1 55403932 PKZSWNQXBLLEHW-LLVKDONJSA-N 316.382 1.925 0 40 DDAB C[C@@H](CNC(=O)c1ccc(-n2cccn2)nc1)CN1CCCC1 55539926 MFRKADJCUCBKQE-AWEZNQCLSA-N 313.405 1.729 0 40 DDAB O=C([C@@H]1Cc2ccccc2O1)N1CCC(N2CCNC2=O)CC1 55786412 YKOSDXUDJPPADM-HNNXBMFYSA-N 315.373 1.006 0 40 DDAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 101508947 FMHZTEAQMFBNSQ-GDBMZVCRSA-N 322.320 1.988 0 40 DDAB C[C@H](c1nc2ccccc2s1)N1CCN(CC(N)=O)CC1 26886300 ALLKVPXBDVTUCG-LLVKDONJSA-N 304.419 1.460 0 40 DDAB O=C(CN1CCC[C@@H]1c1cccs1)N[C@@H]1CCCCNC1=O 48009148 CKDVDBDRFPLIIR-CHWSQXEVSA-N 321.446 1.670 0 40 DDAB CC(=O)N1CCc2cc(C(=O)NC3CCC(O)CC3)ccc21 57771782 PNTMMQOKSPHHOR-UHFFFAOYSA-N 302.374 1.629 0 40 DDAB C[C@H](N[C@H](C)C(=O)N1CCCC1)c1ccc2c(c1)NC(=O)CO2 27034205 NMDMAUJZYNTZNA-NWDGAFQWSA-N 317.389 1.679 0 40 DDAB Cn1cc(-c2nc(C(=O)Nc3ccc[nH]c3=O)cs2)cn1 58277395 VQPGLYFRNJZMCF-UHFFFAOYSA-N 301.331 1.484 0 40 DDAB O=C(CC[C@@H]1CCCO1)NCc1ccnc(-n2cccn2)c1 44913500 BWRYZWRKDVJVQX-AWEZNQCLSA-N 300.362 1.843 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H](O)c1ccccc1F 44955354 IDWJTZBAXCTGMA-AWEZNQCLSA-N 306.341 1.445 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 58424192 YRVZTFPKFYPDMY-SNPRPXQTSA-N 315.417 1.978 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107264705 AGCXXCKHGHKHJQ-GVDBMIGSSA-N 324.384 1.705 0 40 DDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)n1cccn1 28511539 IOGZBXPJOWCOBS-LBPRGKRZSA-N 301.350 1.314 0 40 DDAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N2CCCC2)c1 3349060 UGHUQDCPAJMJNH-CYBMUJFWSA-N 319.405 1.576 0 40 DDAB CCCNC(=O)CN(C)CC(=O)N[C@H](c1ccccc1)C(C)C 11229998 WSRPDLWTRUPTNY-SFHVURJKSA-N 319.449 1.958 0 40 DDAB COC(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21 11667242 YKYRIESUEFSIFM-UHFFFAOYSA-N 313.313 1.732 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)cn1 46033696 HFXWUXHWLVEBTL-CYBMUJFWSA-N 324.406 1.129 0 40 DDAB COc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 48303659 SXHUGOMZHLGCJQ-UHFFFAOYSA-N 314.389 1.986 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 3487422 GZRXZWINOPVBQS-JTQLQIEISA-N 320.374 1.223 0 40 DDAB Cc1nc2sc(C(=O)Nc3cnn(C)c3)c(C)c2c(=O)[nH]1 71283453 RDKBEMUQNGGVCL-UHFFFAOYSA-N 303.347 1.587 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](C)n2cc(Cl)cn2)c(=O)[nH]1 65465454 CYYXAGVSVLBFJG-JTQLQIEISA-N 308.769 1.719 0 40 DDAB c1nc(NCCN2CCOCC2)c2c3c(sc2n1)CCC3 19681641 LCNBRZDYYAXKMT-UHFFFAOYSA-N 304.419 1.924 0 40 DDAB CCCCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 65523856 DHNIRXKDSABEGZ-CQSZACIVSA-N 312.458 1.419 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 65549156 YNIMWPWNFOIZIA-SECBINFHSA-N 319.361 1.897 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CCOC1 65575860 JPLUDTOYLBUGGO-VIFPVBQESA-N 304.268 1.020 0 40 DDAB O=C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CCN1 14163269 DMPPZFXNAXRDJK-UHFFFAOYSA-N 304.371 1.350 0 40 DDAB O=C(Nc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 4539250 VQNMAPGQRZIYLX-UHFFFAOYSA-N 309.325 1.991 0 40 DDAB C[C@H]1CCc2sc3nc(N(C)CCO)n4ncnc4c3c2C1 5478135 FATQOPCBQCNYEG-VIFPVBQESA-N 317.418 1.892 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccccc1F 14789822 YEYMIZGNFFDIQO-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB CN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ncnn1C 93810833 JZRFWKPVQQXJEK-UHFFFAOYSA-N 300.341 1.976 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccccn2)cc1 9499536 CZVONGSYHYRZOJ-UHFFFAOYSA-N 313.313 1.237 0 40 DDAB COc1c(NC(=O)NCc2cccc(C(N)=O)c2)c(C)nn1C 95460695 PDWAHWXIXQBICX-UHFFFAOYSA-N 317.349 1.158 0 40 DDAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2ccccc2)n1 4999469 VEJQESZHVVDKRH-JTQLQIEISA-N 319.386 1.576 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2cnc(C)s2)C1 80041313 YYAGPFWEEJGJRU-CYBMUJFWSA-N 324.450 1.010 0 40 DDAB O=C1NC(=S)N/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409098131 POJLFWRSTBOQFC-XYOKQWHBSA-N 313.338 1.521 0 40 DDAB Cc1nc(-c2ccc(OCC(=O)N3CCOCC3)cc2)no1 71842133 FZUFOEOAMRXJQF-UHFFFAOYSA-N 303.318 1.283 0 40 DDAB Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 71856618 YWKLNGWGLXIPCJ-CHWSQXEVSA-N 309.435 1.719 0 40 DDAB NC(=O)[C@H](Sc1ncn[nH]1)c1ccc(Br)cc1 71857377 YNWWZCFJTXHJSD-MRVPVSSYSA-N 313.180 1.886 0 40 DDAB O=C1C[C@@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1 71804032 AWYXFOWYHOZLOD-CQSZACIVSA-N 319.430 1.546 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C)n2cncn2)n1 71870146 RIMBJMTVWDYSRW-KGLIPLIRSA-N 302.382 1.344 0 40 DDAB O=C(NC[C@@H]1CCC[C@@H]1O)c1cn(Cc2ccccc2)nn1 76060590 DGUHBOBUBDTWMS-ZFWWWQNUSA-N 300.362 1.217 0 40 DDAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241709 MLMPOFCRZQROFV-LSDHHAIUSA-N 308.353 1.640 0 40 DDAB CCc1cc2c(NCCNS(=O)(=O)CC)ncnc2s1 69351463 RFOJPXOVCIBDJB-UHFFFAOYSA-N 314.436 1.605 0 40 DDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC[C@H]1CCCO1 8344106 UWHACATWHLFMOU-LLVKDONJSA-N 321.764 1.345 0 40 DDAB CC1(C)Cc2cc(CN3CCN4C(=O)NC[C@@H]4C3)ccc2O1 91864540 BBVCRJNPWQPONJ-CQSZACIVSA-N 301.390 1.610 0 40 DDAB C[C@@H]1C[C@H](N2CCCN(C(=O)CC3CCCC3)CC2)C(=O)O1 69707575 GDMMESZDUMZGSG-HIFRSBDPSA-N 308.422 1.805 0 40 DDAB COCCNC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 69844333 QIISBWDLSGJGOY-AWEZNQCLSA-N 305.378 1.237 0 40 DDAB O=C(c1ccc(Cn2cccn2)cc1)N1CCOC[C@@H]1CCO 92438106 SRFAKMDTOLCNSO-INIZCTEOSA-N 315.373 1.155 0 40 DDAB COC(=O)[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)noc1C)C2 97082926 OXDSNVYQZDTCHO-LRDDRELGSA-N 306.362 1.636 0 40 DDAB COc1c([C@H]2CCCN2C(=O)c2cc(C)nn2C)c(C)nn1C 72234413 YGJNGTYQUJGKCD-GFCCVEGCSA-N 317.393 1.756 0 40 DDAB Cc1nnc2n1C[C@H](NCc1cn(C)nc1-c1ccncc1)CC2 97199370 GJZKWIJVRKRXJU-OAHLLOKOSA-N 323.404 1.487 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)CCc1ccsc1)CC2 97199131 PPOJNJYFVPTLJL-GFCCVEGCSA-N 304.419 1.966 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc2[nH]ccc12 72400774 XCZSDKSJQBTEET-UHFFFAOYSA-N 319.324 1.912 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2)C1 74216947 HOMYPPWHZKMXHD-DZGCQCFKSA-N 323.414 1.411 0 40 DDAB NC(=O)c1cccc(NC(=O)N[C@H]2CCCc3occc32)n1 95976808 YTKWZQQIPWMOHK-JTQLQIEISA-N 300.318 1.973 0 40 DDAB O=C(N[C@@H]1COc2ccccc2C1=O)c1cnc2ccccn12 95986918 XMWBAIOCJQPSIE-GFCCVEGCSA-N 307.309 1.708 0 40 DDAB Cc1ccnc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 95982734 YORCRDXXUMBXNJ-UHFFFAOYSA-N 308.389 1.984 0 40 DDAB Cc1cc(NC(=O)CN2CC[C@H](Oc3ccncc3)C2)n(C)n1 89591834 NNWQXMHGAFWRBQ-AWEZNQCLSA-N 315.377 1.215 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 89526102 FKSMBMVNHIYXAJ-ZIAGYGMSSA-N 321.421 1.778 0 40 DDAB O=C(CNCCn1cccn1)N1CCC[C@@H]1c1cccs1 89799970 LREOIVWYOXPJKK-CYBMUJFWSA-N 304.419 1.898 0 40 DDAB O=C(Cc1cccc(F)c1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549746326 PJUSKOYBQXTEOQ-SNVBAGLBSA-N 306.316 1.946 0 40 DDAB COC1(c2ccccc2)CCN(C[C@]2(O)CCCNC2)CC1 72422855 IUPHRYVUMVILRE-KRWDZBQOSA-N 304.434 1.739 0 40 DDAB CCOc1cccc(CNC(=O)CN2CCO[C@H]3CCC[C@@H]32)c1 79354431 YYQKIJSFBNBYCY-IRXDYDNUSA-N 318.417 1.955 0 40 DDAB Cn1cc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CCC(=O)c2cccn21 548897884 ULGKRCGPVXUFPU-WFASDCNBSA-N 312.373 1.933 0 40 DDAB COc1ccc(Br)c(CN(C)c2nnnn2C)c1 555647111 LUWNZBCCHCLMKW-UHFFFAOYSA-N 312.171 1.618 0 40 DDAB Cc1ccccc1/C=C1/SC(=S)N([C@@H](CO)C(=O)O)C1=O 35648338 HPJIJIKPALKGFO-OTXQMUPVSA-N 323.395 1.642 0 40 DDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(CC2CCOCC2)C1 518579954 SWBWTCBNZGSTLW-KGLIPLIRSA-N 306.410 1.871 0 40 DDAB O=c1[nH]c(-c2nnc[nH]2)nc2c(-c3ccccc3F)nsc12 186996462 SRPDTTVPZHWDGN-UHFFFAOYSA-N 314.305 1.971 0 40 DDAB O=C(c1cccnc1)N1CCN2C(=O)N(c3ccccc3)C[C@H]2C1 77266147 WBVVSFUUNFTEJZ-MRXNPFEDSA-N 322.368 1.848 0 40 DDAB biogenic,in-vitro Cc1cnc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)s1 72239009 GHZHCEBKYGSVNU-UHFFFAOYSA-N 321.387 1.833 0 40 DDAB COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(C)=O)CC2 72342681 DXKVNCIGMJBLGP-QGZVFWFLSA-N 315.373 1.931 0 40 DDAB Cc1ccccc1CN(Cc1ccccn1)C(=O)Cn1cnnn1 79000921 ILBRJRBQOMGMKO-UHFFFAOYSA-N 322.372 1.606 0 40 DDAB O=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1ccco1 72800462 RAMIDHDKCIQBID-CQSZACIVSA-N 319.386 1.130 0 40 DDAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 225605868 PPEVERYJMRPKIB-INIZCTEOSA-N 308.378 1.940 0 40 DDAB Cc1cc(N2CCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225909397 VWCZXRLCDXTDNA-GFCCVEGCSA-N 321.450 1.851 0 40 DDAB COCCn1c(N)nc2cc(I)ccc21 85103594 RSOXISAEDKDVNM-UHFFFAOYSA-N 317.130 1.870 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225196974 OSHYRSSPUSJHJF-LLVKDONJSA-N 316.398 1.752 0 40 DDAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2C=CCCC2)C1 190130585 HYTJQCQEFIQLPE-RWMBFGLXSA-N 306.366 1.958 0 40 DDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(Cc1cnn(C)c1)C2 96218546 LOINRCARLPLBPA-ROUUACIJSA-N 318.465 1.600 0 40 DDAB COCCN1CCO[C@@H]2CN(Cc3cccc(OC)c3)C[C@@H]2C1 96107980 QNGVPFVAXNHWKB-FUHWJXTLSA-N 320.433 1.474 0 40 DDAB CC(=O)N(C)Cc1ncn2c1CN(C(=O)CC1CC1)CCC2 96259280 SGSUDTXAMXFJDB-UHFFFAOYSA-N 304.394 1.394 0 40 DDAB CN(C)C(=O)N[C@@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96185844 NSEXQKZTUATPPB-BZUAXINKSA-N 321.396 1.829 0 40 DDAB CC(C)NC(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 96259403 RJIYZRAHULIIGH-UHFFFAOYSA-N 319.409 1.329 0 40 DDAB CCS(=O)(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96046521 IJFKMUBZRAOLPB-UHFFFAOYSA-N 323.462 1.719 0 40 DDAB O=C(c1ccco1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188360 MSQSIMAAANCDPW-AWEZNQCLSA-N 314.389 1.844 0 40 DDAB O[C@@H](CN1CCOCC1)Cn1ncnc1-c1ccccc1Cl 96435835 YITAGBWBVOBBOY-LBPRGKRZSA-N 322.796 1.292 0 40 DDAB COC(=O)[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 96441409 LHVVUWFXJHNNRB-HNNXBMFYSA-N 319.336 1.385 0 40 DDAB Cc1cccc(CN2C[C@H](N3CCCC3=O)[C@@H]3OCCC[C@@H]32)n1 96185791 PMFMKLHHBQAWQO-XYJFISCASA-N 315.417 1.744 0 40 DDAB N[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242437503 CDUKAWAUSBSEPE-BZUAXINKSA-N 303.383 1.316 0 40 DDAB N=C1O[C@@H]2CSC[C@H]2N1C(=O)c1ccc2c(c1)OCCO2 257271301 MXSSRIDNJJNADD-BXKDBHETSA-N 306.343 1.349 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)cc1Cl 253576884 WJVOVYIIUWNACC-JXFSHQFZSA-N 319.744 1.454 0 40 DDAB CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2ccno2)n1 257218948 DEZIEKWDONSFLT-OAHLLOKOSA-N 301.350 1.966 0 40 DDAB Oc1cc(CC[C@H]2CN(Cc3cscn3)CCO2)ncn1 257245488 IPSDQHOQXDYWHM-ZDUSSCGKSA-N 306.391 1.472 0 40 DDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2ccncc2)C1 257206716 BEQPNIWZAQMVFD-GFCCVEGCSA-N 304.375 1.709 0 40 DDAB COCC(=O)N1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 257218113 DBXVNWHVRXVBKL-LBPRGKRZSA-N 319.361 1.391 0 40 DDAB C[C@H](C(=O)O)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 263553326 MLVNHCKTVRTWFK-AAEUAGOBSA-N 304.346 1.361 0 40 DDAB Cc1cc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)on1 371799899 WENSOMOVIOFMCZ-UHFFFAOYSA-N 313.423 1.371 0 40 DDAB O=C(C1CCC1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575406439 XCNDEVRMFNCTHO-ZDUSSCGKSA-N 303.362 1.416 0 40 DDAB Cc1nn(C[C@H](C)N[C@H](C)[C@H](c2ccccc2)N(C)C)c(=O)o1 585141261 SHEJGUPHQQLMJK-WOSRLPQWSA-N 318.421 1.814 0 40 DDAB O=S(=O)(CCN1CCC[C@H]1Cn1cncn1)c1ccccc1 69653628 UGJIHSZAPUUDFK-AWEZNQCLSA-N 320.418 1.216 0 40 DDAB Cc1cnn(CCC(=O)N2CCn3c(nnc3C(C)C)C2)c1 69921857 DFGMQOHXPQMVGG-UHFFFAOYSA-N 302.382 1.339 0 40 DDAB CC(C)[C@@H](O)CNC(=O)Nc1ccccc1N1CCCC1=O 71921098 ZXHFTYNYUULRPN-AWEZNQCLSA-N 305.378 1.952 0 40 DDAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CCCO1 48170868 MOXXABMUJPWOGM-YPMHNXCESA-N 306.362 1.825 0 40 DDAB c1nc(N2CCCC2)cc(N2CCN(c3nccs3)CC2)n1 302778003 GRCJHPACDKXSKL-UHFFFAOYSA-N 316.434 1.860 0 40 DDAB CNC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(C)on2)cc1 40520316 AFKXCEYMARTHCH-SNVBAGLBSA-N 303.318 1.749 0 40 DDAB CC1CCN(S(=O)(=O)NCC2(N(C)C)CCCC2)CC1 41630872 HUZGGDFGGQQTMK-UHFFFAOYSA-N 303.472 1.427 0 40 DDAB CN(Cc1nnsc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96444963 LCXPOHMSXLVHBB-ZJUUUORDSA-N 323.871 1.979 0 40 DDAB CN1OC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)CC1=O 1549160894 BSNWWBZULYQLCC-UHFFFAOYSA-N 321.352 1.664 0 40 DDAB CC(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 5459657 KRSGOHOGXBDPAJ-CRWXNKLISA-N 303.314 1.706 0 40 DDAB CC(=O)O[C@H]1CCN2C(=O)C=C[C@@H](OCc3ccccc3)[C@@H]12 5664761 UDKKAMHHDCVXRP-VYDXJSESSA-N 301.342 1.674 0 40 DDAB CCC(=O)N1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 19498546 UPAPUVAKTBXMBR-UHFFFAOYSA-N 302.374 1.888 0 40 DDAB CCCC(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19501093 ZOPPQYNJNIAANT-LBPRGKRZSA-N 312.373 1.948 0 40 DDAB COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1O 201133052 KBCGBBYLFJDFMZ-BJMVGYQFSA-N 309.299 1.522 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(O)c1 65608 MPXULMKXNYLWDE-LBPRGKRZSA-N 301.306 1.231 0 40 DDAB CC1CCN(C(=O)Cn2c(NCCO)nc3ccccc32)CC1 5185361 DNHDDXZXWRKWHK-UHFFFAOYSA-N 316.405 1.699 0 40 DDAB O=S(=O)(CCCOc1ccc(F)cc1)NC[C@@H]1CCCO1 12440787 WYCGWXUZNLGHSR-AWEZNQCLSA-N 317.382 1.693 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCN(c2cnsn2)CC1 585148822 JYQFFKBMXKNNPR-UHFFFAOYSA-N 321.406 1.424 0 40 DDAB Cc1cnc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)s1 2626780 RZJCEFOTDOKWQO-UHFFFAOYSA-N 316.342 1.093 0 40 DDAB COc1cnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)nc1 1889099089 NASCOUASGSFNOX-LBPRGKRZSA-N 322.434 1.277 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1ccccc1)N(C)C 22315295 BGYALTYRWOVCJL-KRWDZBQOSA-N 314.433 1.999 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)OCCO3)c1 24994786 GMCLHOMMEZBCOX-UHFFFAOYSA-N 307.346 1.683 0 40 DDAB Cc1nc(NCCN2C(=O)CCC2=O)ccc1Br 273276917 CSLBCLIQBOHANS-UHFFFAOYSA-N 312.167 1.713 0 40 DDAB O[C@@]1(COc2ccc(F)cc2)CCCN(Cc2cc[nH]n2)C1 2037905651 WMEZIVQSBVSTNE-INIZCTEOSA-N 305.353 1.955 0 40 DDAB CCSCC(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223472 NBYMXZBEUWSQCK-GJZGRUSLSA-N 312.479 1.841 0 40 DDAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1=O 1565542819 UZTCOCKJMOJMOI-QGZVFWFLSA-N 318.421 1.031 0 40 DDAB CC(C)(C)C(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055734481 AKYLZZLADNCALP-GFCCVEGCSA-N 321.421 1.526 0 40 DDAB Cc1cnc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)s1 101497066 INFFSGFOJOEGQO-UHFFFAOYSA-N 318.362 1.062 0 40 DDAB O=C(NCN1CCC2(CC1)OCCO2)c1ccccc1Cl 55175223 JJLLVKWYOCLIJP-UHFFFAOYSA-N 310.781 1.866 0 40 DDAB O=C(N1CCc2ccccc2C1)C1(n2cnnn2)CCCCC1 40268834 UNYCNTPMQVBZNV-UHFFFAOYSA-N 311.389 1.917 0 40 DDAB C[C@H](OC(=O)c1coc(Br)c1)C(=O)NC1CC1 30876513 SZIWJFVMZTUMMK-LURJTMIESA-N 302.124 1.866 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)Nc1cnc2c(cnn2C(C)C)c1 40476537 CPTRLLKGBRALSX-CQSZACIVSA-N 315.377 1.962 0 40 DDAB COc1ncccc1C(=O)NCCc1ccc2c(c1)OCCO2 31355064 XGGJZBQRLXBNEP-UHFFFAOYSA-N 314.341 1.834 0 40 DDAB CCCn1nnnc1CN1C(=O)NC2(CCCCCCC2)C1=O 40464857 OVBYZMSBIDOOEI-UHFFFAOYSA-N 320.397 1.618 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 40475406 XJVSMHGESMKVAP-OAHLLOKOSA-N 302.334 1.049 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)Nc1cnc2c(cnn2C(C)C)c1 40476535 CPTRLLKGBRALSX-AWEZNQCLSA-N 315.377 1.962 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)N2CCOCC2)o1 40488255 NTLWTKDAXYQWHL-AAEUAGOBSA-N 314.407 1.412 0 40 DDAB CN(C)S(=O)(=O)c1ccc(S[C@@H]2CCCCC2=O)nc1 31745048 WXFWKVGXRVMQMV-GFCCVEGCSA-N 314.432 1.936 0 40 DDAB CCN(CC)[C@@H](C)CNS(=O)(=O)Cc1ccc(F)cc1 32068798 HMZPLXKKMRMHMK-LBPRGKRZSA-N 302.415 1.975 0 40 DDAB C[C@@H](CCc1ccccc1)Nc1c(N2CCOCC2)c(=O)c1=O 101658456 QJVZLBSKPQZXDP-ZDUSSCGKSA-N 314.385 1.552 0 40 DDAB CN(CC(N)=O)C(=O)CCOc1ccc(Br)cc1 61573326 BHSPQZQJXNOVFF-UHFFFAOYSA-N 315.167 1.162 0 40 DDAB O=C(O)CN1C(=O)c2ccc(C(=O)c3ccccc3)cc2C1=O 991223 MEENHPLNOGEUQB-UHFFFAOYSA-N 309.277 1.598 0 40 DDAB CC(C)[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(N)=O 78554648 XKXIYUYRNXPPMJ-ZDUSSCGKSA-N 304.325 1.251 0 40 DDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCCOCC2)o1 78880349 AJBBBGXFZLQBOY-CYBMUJFWSA-N 314.407 1.692 0 40 DDAB Cc1ccc(OCCCC(=O)N[C@H]2CCC(=O)NC2)cc1C 78971910 JDMMNWQOFWXDPZ-AWEZNQCLSA-N 304.390 1.857 0 40 DDAB CC1(C)OC2C3OC(C)(C)OC3C3OC(C)(C)OC3C2O1 1720154 GGZVTLUGYCMXQG-UHFFFAOYSA-N 300.351 1.560 0 40 DDAB Cc1nc(CN2CCN([C@H]3CCCCNC3=O)CC2)cs1 22816077 CTAVXBABNNUDEM-AWEZNQCLSA-N 308.451 1.238 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)no1 72231883 YXMAUTIBPKUMPB-CYBMUJFWSA-N 317.393 1.677 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(C)c1 4936880 WKEDFFOALXDXOU-LBPRGKRZSA-N 302.330 1.517 0 40 DDAB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(N=O)CC[C@]341 4972564 NGNCKOKHKZDIHF-UKTVDESPSA-N 314.341 1.553 0 40 DDAB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCC#N 6656595 WKZUUCHBUACVRK-GXFFZTMASA-N 308.359 1.776 0 40 DDAB Cc1cnn(CC(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 72294085 PUHBEYJFVIOOCR-UHFFFAOYSA-N 300.297 1.754 0 40 DDAB O=C(COC(=O)CNC(=O)C1CCCCC1)NC1CCCC1 7563341 TWGCZDQVJXPHMR-UHFFFAOYSA-N 310.394 1.285 0 40 DDAB C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 3128426 ATXSEDJBJBBUED-GHMZBOCLSA-N 315.366 1.235 0 40 DDAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(C=O)CC1 8478450 FJJPRUULUFUQTF-CYBMUJFWSA-N 306.362 1.153 0 40 DDAB Cn1cc(CCNC(=O)NCc2ccc3c(c2)OCO3)cn1 42841529 DSROFIMLEHZCRK-UHFFFAOYSA-N 302.334 1.191 0 40 DDAB COc1ccc(CCN(C)c2ccc3nnnn3n2)cc1OC 8855921 SPMOJFDEZWXIQR-UHFFFAOYSA-N 314.349 1.215 0 40 DDAB CC(C)c1nnc(NC(=O)C[C@H]2SC(=O)NC2=O)s1 26770231 BNWZGAAEKMVQPD-RXMQYKEDSA-N 300.365 1.342 0 40 DDAB CC[C@H](Sc1nnc(S[C@@H](CC)C(N)=O)s1)C(N)=O 58295721 DNUXDFNTNWBVGX-WDSKDSINSA-N 320.465 1.250 0 40 DDAB O=c1oc(-c2ccccc2)nn1CN(C[C@@H]1CCOC1)C1CC1 44979250 PFIZMOHMRGZKOF-ZDUSSCGKSA-N 315.373 1.962 0 40 DDAB CCOc1cc(C)ccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 58391886 SKEJHKZWHMLFAR-LLVKDONJSA-N 312.391 1.702 0 40 DDAB Cc1cccc(OC[C@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c1 58356217 QKCOKRRNKFBHSO-TZMCWYRMSA-N 304.346 1.161 0 40 DDAB Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)ccc1-n1cnnn1 27904447 RXMUVIYXUOKJTA-BXUZGUMPSA-N 301.350 1.268 0 40 DDAB Cc1c(C)n(C[C@H](O)CN2C(=O)CNC2=O)c2ccc(F)cc12 28297190 DQCUAGVDDSAEJE-LBPRGKRZSA-N 319.336 1.310 0 40 DDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CC1 10702767 PJMFOKRKJHKSRI-UHFFFAOYSA-N 303.362 1.842 0 40 DDAB CC(=O)c1ccc(NC(=S)N2CCC[C@@H](C(N)=O)C2)cc1 3326345 LWXILPUEBHTKMP-GFCCVEGCSA-N 305.403 1.783 0 40 DDAB CC(C)N(Cc1nc(N)nc(N(C)C)n1)C[C@@H]1C[C@H]2C=C[C@H]1C2 104229974 YHSMYLPOSGHRGJ-IHRRRGAJSA-N 316.453 1.942 0 40 DDAB CCCn1c(NC(=O)[C@H]2CCC(=O)NC2)nc2ccccc21 48362407 QOHSEEJFRQKJRE-NSHDSACASA-N 300.362 1.911 0 40 DDAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NC1CCCC1 28914769 CHFQSBDPDPLUIC-GFCCVEGCSA-N 316.405 1.888 0 40 DDAB O=C(NCc1ccn2ccnc2c1)N1CCOC[C@@H]1C1CC1 179212849 ZEPPIHLCZOGZMW-CQSZACIVSA-N 300.362 1.655 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)no1 72231882 YXMAUTIBPKUMPB-ZDUSSCGKSA-N 317.393 1.677 0 40 DDAB O=C(CCc1cccs1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269117 GMXFKUYGWVXPNH-GJZGRUSLSA-N 308.447 1.738 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1 93530506 BTKAZIBEHGHFEV-SWLSCSKDSA-N 314.389 1.985 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H](c1ccccc1)n1cccn1 97197427 SAYGUCZOAQEDKH-NVXWUHKLSA-N 321.384 1.800 0 40 DDAB CCCN(C)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 65625816 KYAZBJQLCVWWQV-ZDUSSCGKSA-N 310.419 1.450 0 40 DDAB O=C(c1cnn(C(=O)CN2CCCC2=O)c1)c1ccccc1O 6560669 PXCXKHMAQLGENH-UHFFFAOYSA-N 313.313 1.082 0 40 DDAB Cc1nc(N[C@@H](C(=O)O)[C@@H](C)O)c2oc3ccccc3c2n1 6861475 JLARVDCFFCLLEY-RDDDGLTNSA-N 301.302 1.930 0 40 DDAB COc1ccc(C)c2c1N(C(=O)c1ccc(=O)n(C)n1)CCC2 67843872 MGOUFCZAQYUUCG-UHFFFAOYSA-N 313.357 1.690 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)C(=O)O)C(=O)O 27727773 REOCNKZXONOGGX-QWHCGFSZSA-N 307.346 1.545 0 40 DDAB Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)N1CCSCC1 71820998 JCAPHXARRXCUNW-LLVKDONJSA-N 317.414 1.841 0 40 DDAB O=C1C[C@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CN1C1CC1 71865200 BGNCMIJSOGEVGN-ZFWWWQNUSA-N 316.405 1.275 0 40 DDAB CS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCC1 71803955 KGHPYCJIMPDBQS-AWEZNQCLSA-N 310.419 1.872 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](CC(=O)O)C2)c1 91294117 YWYDGSCNADYSHW-GFCCVEGCSA-N 313.375 1.168 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1n[nH]c(=O)c2ccccc12 8135188 ZJIIOVMLMYEUDP-LBPRGKRZSA-N 317.345 1.241 0 40 DDAB CCOCCN1CCN(CCC(=O)NC2CCCC2)C[C@@H]1C 71864801 RNQGUDIBNPDGNB-HNNXBMFYSA-N 311.470 1.478 0 40 DDAB CCOC(=O)[C@@](NC(C)=O)(NC1CCCCC1)C(F)(F)F 19939204 LGACQGXFILSXSW-GFCCVEGCSA-N 310.316 1.867 0 40 DDAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1c[nH]c(=O)[nH]1 70038936 RIUCLUOBCKFTFV-LBPRGKRZSA-N 303.318 1.513 0 40 DDAB c1ccc(-n2ccc(CN3CCO[C@H](Cn4cccn4)C3)n2)cc1 69436913 UHOYDKXZYVFGPG-SFHVURJKSA-N 323.400 1.970 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H]1COc3ccccc3C1)C2 69511310 WTMAUVGAGYZJQM-ZDUSSCGKSA-N 312.373 1.434 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)NCc1cccs1 69582827 PTCDBAJVICBCLO-CYBMUJFWSA-N 319.434 1.511 0 40 DDAB COC(=O)c1ccc(CCNC(=O)Cc2cc(C)on2)cc1 69656854 MYLXPWNOWPUEID-UHFFFAOYSA-N 302.330 1.671 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)nn1 69630397 ZYAYESGWIOQJTF-LBPRGKRZSA-N 300.366 1.216 0 40 DDAB O=C(Nc1cc(-n2cccc2)ccc1F)[C@H]1CCS(=O)(=O)C1 69708464 DJJBHCIBYKGWMT-NSHDSACASA-N 322.361 1.990 0 40 DDAB CCCc1cncnc1N1C[C@@H]2CCN(C)C[C@]2(C(=O)O)C1 92001474 XMMKOYBTYRAKQD-BBRMVZONSA-N 304.394 1.272 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCSCC1 69812601 LTIIQUXWEWPZGP-LBPRGKRZSA-N 308.403 1.877 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2c(C)noc2N)cc1 8735078 UQMDLQOMOMSSSQ-LLVKDONJSA-N 317.345 1.735 0 40 DDAB C[C@H]1C[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)CN1C1CC1 97034042 BOCJQDLNPGIMHA-WFASDCNBSA-N 316.449 1.884 0 40 DDAB COc1cc(C(=O)NCCC[C@@H](C)CO)cc2c1OCCO2 95444070 UUQMTWFBARTQNF-LLVKDONJSA-N 309.362 1.605 0 40 DDAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 222899894 NIBJKYJXTQTXQP-WBMJQRKESA-N 322.380 1.858 0 40 DDAB O=C(NC[C@@H]1C[C@]12CCc1ccccc12)NCC1(CO)CC1 88618600 FIMXVTZPEPQIKM-KBXCAEBGSA-N 300.402 1.962 0 40 DDAB O=C(Cc1ccn[nH]1)N[C@H]1CCCN(Cc2ccccc2)C1=O 95977316 ZPUJQYLGAKWDSS-HNNXBMFYSA-N 312.373 1.260 0 40 DDAB COc1ccc2cccc(CC(=O)NCCc3ncnn3C)c2c1 95973747 OISQQRXRMHJUNI-UHFFFAOYSA-N 324.384 1.878 0 40 DDAB CCCS(=O)(=O)NC(=O)c1cnn(C)c1-n1c(C)ccc1C 95960719 ZYQFOVMSHQJVCD-UHFFFAOYSA-N 324.406 1.297 0 40 DDAB CC1(C)Cc2cccc(CNCC(=O)N3CCOCC3)c2O1 95989248 YUHYCPNBNDLUGA-UHFFFAOYSA-N 304.390 1.349 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1CC 89282515 HIBGKXPSDLGYAY-KGLIPLIRSA-N 319.405 1.678 0 40 DDAB COc1ccc(NC(=O)C(=O)NCC(OC)OC)cc1Cl 9992024 WOQAAAHVRMWSMH-UHFFFAOYSA-N 316.741 1.022 0 40 DDAB COc1ccc(CCC(=O)N2CC[S@@](=O)C(C)(C)C2)cc1 89919611 BGCJIXJXZOCLMR-NRFANRHFSA-N 309.431 1.997 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3ccsc3)CCO2)n1 76045312 LUXPSWYKWYNMPX-LBPRGKRZSA-N 306.391 1.707 0 40 DDAB CCS[C@@H]1CC[C@H](N(C)CCC(=O)N2CCOCC2)C1 76089706 QPSCRXOPLVKEDU-UONOGXRCSA-N 300.468 1.841 0 40 DDAB Cc1nnc(N2CC(Cn3cc(Br)cn3)C2)s1 1889078036 UHEDZXAAFPEKDC-UHFFFAOYSA-N 314.212 1.942 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2C[C@H]2c2ccco2)CCS1(=O)=O 515520816 CGAJSYKSVDYTNR-WRWGMCAJSA-N 312.391 1.353 0 40 DDAB O=C(O)[C@H]1CC12CCN(C(=O)c1cc(-c3ccoc3)[nH]n1)CC2 531743640 UKMSPEUQVVQDIM-LLVKDONJSA-N 315.329 1.997 0 40 DDAB COC(=O)C[C@H](c1cccc(O)c1)c1c(O)n(C)c(C)cc1=O 1547208485 JSVCFXFSIRRMSO-CYBMUJFWSA-N 317.341 1.800 0 40 DDAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(CC(N)=O)C2)n1 72383580 HFIDJWKTOSVYNT-GFCCVEGCSA-N 312.377 1.198 0 40 DDAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC3CC3)nn1C)C2 32102314 BMFXSRGLYKRACR-UHFFFAOYSA-N 313.357 1.901 0 40 DDAB CNc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C)CC2)cn1 72354298 ZRCZTQXRTKFVAK-HNNXBMFYSA-N 317.437 1.855 0 40 DDAB C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1F)c1nnn[nH]1 183438318 AKXMLGFVQPCRMU-SECBINFHSA-N 306.345 1.281 0 40 DDAB NCCN1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79391007 XDFOMUHPRAYHJH-MRXNPFEDSA-N 303.406 1.821 0 40 DDAB Cc1ccc2cc(C)c3nn(CC(=O)NC4CC4)c(=O)n3c2c1C 72346877 DUGNUNNSVFPDTP-UHFFFAOYSA-N 324.384 1.853 0 40 DDAB CN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN 79392860 UWLWAWZQFPGOGE-HNNXBMFYSA-N 319.405 1.595 0 40 DDAB CN(c1ccn(C)n1)S(=O)(=O)CCOCC1CCCC1 563540372 DJGXWHIPUVNKOQ-UHFFFAOYSA-N 301.412 1.393 0 40 DDAB CC(C)NC(=O)c1nn(C)c(NC(=O)Cc2ccccc2)c1F 41070620 MNVGCRQIFJHNIF-UHFFFAOYSA-N 318.352 1.879 0 40 DDAB CN(C)c1ccnc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 195574400 QNERDKPCYIMIIU-ZDUSSCGKSA-N 315.377 1.421 0 40 DDAB O=C(NC[C@H]1OCCc2ccccc21)c1cc2c([nH]c1=O)CCC2 49543787 OMMNRCJCESJXQR-QGZVFWFLSA-N 324.380 1.907 0 40 DDAB biogenic CC(=O)N1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194220433 NQMKRGDICJNLKW-UHFFFAOYSA-N 304.375 1.992 0 40 DDAB CCN1CCC[C@](O)(CN2CCN(Cc3ccncc3)CC2)C1 41124079 OKPRGRXPZNXPPI-GOSISDBHSA-N 318.465 1.046 0 40 DDAB COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NC(=O)c1ccoc1Cl 225789260 BOLDGOANGCOWSL-BQBZGAKWSA-N 323.754 1.190 0 40 DDAB CN(C(=O)N1CC[C@H](C(=O)O)C(F)(F)C1)C1CCOCC1 574116819 BHPUPFIONGZBGY-SNVBAGLBSA-N 306.309 1.259 0 40 DDAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C2 225488697 MXTRNCANZRRLKH-LBPRGKRZSA-N 310.375 1.486 0 40 DDAB biogenic,in-vitro CCn1cccc(NC(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1=O 333942358 PVSFDPKFNZSTBP-UKRRQHHQSA-N 318.421 1.959 0 40 DDAB O=C(Nc1cnccn1)[C@H](c1ccccc1F)N1CCOCC1 97379849 VBRISBGZSWMCAB-HNNXBMFYSA-N 316.336 1.628 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)Nc1cccc(C)c1 96245801 PRZLDNWQEJBVOL-HUUCEWRRSA-N 317.389 1.849 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)N2CCCC2)N1Cc1ccncc1 96055701 WMVRJCWHGAMJPR-LSDHHAIUSA-N 314.389 1.473 0 40 DDAB CC(C)C(=O)N1CCC[C@]12CCCN(C(=O)c1ccno1)C2 96071269 RTFZENXNUSAGLC-INIZCTEOSA-N 305.378 1.928 0 40 DDAB CC(=O)N1CCO[C@@H]2CN(C(=O)c3ccccc3)CC[C@@H]2C1 96249853 XIBXKLSYKYGXER-HZPDHXFCSA-N 302.374 1.396 0 40 DDAB CCn1nc(Cc2cccs2)nc1[C@H]1NCCc2[nH]cnc21 96136352 VYRQNHITBCNNFE-AWEZNQCLSA-N 314.418 1.909 0 40 DDAB O=C(c1cccnc1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96239161 BANIJLYKIRAMLW-SFHVURJKSA-N 322.368 1.746 0 40 DDAB CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12 96057183 UUJRPZDFMVCHOT-NFAWXSAZSA-N 308.447 1.921 0 40 DDAB Cc1ccc(C(=O)N2CCn3nnc(COCC4CC4)c3C2)o1 96084268 GJRMTCCCSZKCLJ-UHFFFAOYSA-N 316.361 1.762 0 40 DDAB CCS(=O)(=O)N1CCCc2c(-c3cccnc3)nn(C)c2C1 96254445 SJRUVUMPWMGPQN-UHFFFAOYSA-N 320.418 1.580 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cc3ccccc3s2)CCO1 257282279 OTCMUCGMHOJITK-MRXNPFEDSA-N 318.398 1.878 0 40 DDAB CC(C)N1CC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257287226 PPBYCSGVRVVTKC-GFCCVEGCSA-N 301.394 1.629 0 40 DDAB O=C(CN1CCCCC1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257313577 UTGGXLWMNITKTO-HZPDHXFCSA-N 304.390 1.123 0 40 DDAB COc1ccc([C@@H]2CN(C(=O)c3cnn(C)c3)CCN2C)cc1 257279172 OFIWJJJRXVDOLY-INIZCTEOSA-N 314.389 1.558 0 40 DDAB CN1CCC[C@H]1C(=O)N1CCC(c2ccnc3ccnn23)CC1 257264144 LTCIPKSHZSBBLT-HNNXBMFYSA-N 313.405 1.530 0 40 DDAB CCc1nnc(N2CCCN(c3cccnn3)CC2)nc1CC 253430243 DYCPVBFPVKGLKO-UHFFFAOYSA-N 313.409 1.503 0 40 DDAB CCc1nc(=N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)s[nH]1 585142482 XDMQFAFLGKMEAU-BDAKNGLRSA-N 321.406 1.698 0 40 DDAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1nncs1 43129234 ZWVBZEFBJWDGQD-SECBINFHSA-N 300.290 1.671 0 40 DDAB CS(=O)(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 169491084 DPJWIXMOCGJKDG-UHFFFAOYSA-N 319.382 1.895 0 40 DDAB in-vitro Cn1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)c2nccnc21 72393898 IQRRGJBKBCQHHQ-CYBMUJFWSA-N 322.372 1.778 0 40 DDAB CCn1c(CN2CCCN(C(N)=O)CC2)nc2cc(F)ccc21 96483154 JYRYBUBCLMNJKR-UHFFFAOYSA-N 319.384 1.782 0 40 DDAB OC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1 97109431 FHVCJGSPGXKKTN-GFCCVEGCSA-N 309.366 1.466 0 40 DDAB COC(=O)c1cc(CN2CCC[C@H](Cc3nccn3C)C2)c[nH]1 97236847 DTKQWYOLFMSFCU-CYBMUJFWSA-N 316.405 1.990 0 40 DDAB C[C@@H]1CN(C(=O)CSc2ncnc3c2cnn3C)C[C@@H](C)O1 11676807 KSNMOHJHMIJONB-NXEZZACHSA-N 321.406 1.091 0 40 DDAB COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2S(C)(=O)=O)c1 12085305 SBAAUBGVNGZMFD-XUJVJEKNSA-N 311.403 1.887 0 40 DDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC1 12926253 AKTWYOZOCXFYGP-CYBMUJFWSA-N 321.402 1.028 0 40 DDAB Cn1ccc(C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)n1 19290868 RVZDZNUXZKCQQX-LLVKDONJSA-N 323.356 1.286 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)N1CCOCC1 252533029 FTJCTBRKKRCHLL-JOCQHMNTSA-N 324.356 1.348 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)c3cc(C)cs3)C2)nn1 585149699 RANJCIYPUIVAEU-GFCCVEGCSA-N 306.391 1.882 0 40 DDAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)c1c[nH]c2ccccc12 4334157 WHUGOCBAXKNJMQ-SECBINFHSA-N 313.313 1.548 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)nn1 1888930394 CSMXWVROKYEIQE-JTQLQIEISA-N 318.358 1.600 0 40 DDAB C[C@H](C(=O)NC(N)=O)N(C)Cc1ccc(Br)o1 30214637 RLDGSMKABGELCM-ZCFIWIBFSA-N 304.144 1.057 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2ccno2)o1 12234652 UDOXHTXBQCLGQA-UHFFFAOYSA-N 314.257 1.635 0 40 DDAB COC(=O)[C@](N)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F 22078262 MZWDBROKSIMWEU-LLVKDONJSA-N 309.240 1.299 0 40 DDAB CCN1C(=O)C(=O)N(Cc2noc(-c3cccc(C)c3)n2)C1=O 32326651 IYHUBYLHSKTGAF-UHFFFAOYSA-N 314.301 1.356 0 40 DDAB O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1C[C@H](O)C(F)(F)F 102231037 LFPVOMNHLXXRCB-KOLCDFICSA-N 319.254 1.667 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)cc12 32952300 CRUINZCKABHQGV-SNVBAGLBSA-N 316.365 1.006 0 40 DDAB Cc1ccc(-n2nc(C)c(C(=O)NC[C@@H]3CCOC3)n2)c(C)c1 41374117 GPSPSISHPWEVGV-AWEZNQCLSA-N 314.389 1.959 0 40 DDAB COc1cc(NC(=O)c2ccoc2)ccc1NS(C)(=O)=O 33069980 XJQZDEVSVNULQG-UHFFFAOYSA-N 310.331 1.912 0 40 DDAB Cc1cccc(/C=c2\s/c(=C\C(=O)c3ccncc3)[nH]c2=O)c1 103018490 GAHJMGBWKHAZLG-APGQMXJTSA-N 322.389 1.632 0 40 DDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nnnn1C 22066848 RQMHOTWORNQQJK-VIFPVBQESA-N 309.370 1.661 0 40 DDAB O=C(O)[C@H](c1cc(Br)cs1)N1CCOCC1 41678535 WPGRXFUJUCBGSX-VIFPVBQESA-N 306.181 1.969 0 40 DDAB biogenic,in-vitro COc1cccc(COCC(=O)NCCNc2ncccn2)c1 47106433 KCJTYMNTGVBQQV-UHFFFAOYSA-N 316.361 1.230 0 40 DDAB CCCn1nc2c(cc1=O)CN(CCOCC(F)(F)F)CC2 78931508 NWAZSHZXGQTHSW-UHFFFAOYSA-N 319.327 1.590 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1 3276830 JXVSPFVRAXMZMW-CYBMUJFWSA-N 310.419 1.623 0 40 DDAB Cc1ccc(CNC(=O)CSc2nc(N)cc(N)n2)cc1 3510242 CPQDGUNBLKWUST-UHFFFAOYSA-N 303.391 1.358 0 40 DDAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3580293 AZYZJUNQWINVEE-LLVKDONJSA-N 319.434 1.974 0 40 DDAB O=C(NCc1ccccn1)NC1CCN(c2ccccn2)CC1 47596160 WQMNTQRXZKRCFZ-UHFFFAOYSA-N 311.389 1.945 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCCCOC(C)C)c1 6328089 SJZKJMQHTMEDHO-UHFFFAOYSA-N 308.378 1.243 0 40 DDAB Cn1cccc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 23866955 LYBDJAZFJIKRCQ-UHFFFAOYSA-N 304.327 1.053 0 40 DDAB O=S(=O)(/C=C/c1ccncc1)NCc1ccc2c(c1)OCO2 1398428 DNOIVONXZKNPJP-VMPITWQZSA-N 318.354 1.901 0 40 DDAB Cn1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)cn1 25119973 HLXRSZUUPBHJAA-UHFFFAOYSA-N 316.313 1.621 0 40 DDAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccn1 25405559 ALDNVUUSSOGATB-LLVKDONJSA-N 319.386 1.944 0 40 DDAB C[C@H]1CN(C(=O)CN(C)Cc2nc3ccccc3s2)CCO1 25817148 GDVOVSFGHRAOQG-LBPRGKRZSA-N 319.430 1.975 0 40 DDAB NC(=O)C1(CNC(=O)C2C3CC4CC(C3)CC2C4)CCOCC1 57007161 DVIMIKIGVCZEBW-UHFFFAOYSA-N 320.433 1.457 0 40 DDAB CC(=O)N1CCN(c2ccccc2CN[C@H](C)CCO)CC1 96470501 LOAPKMQACALTCA-CQSZACIVSA-N 305.422 1.216 0 40 DDAB CCCCN(C)S(=O)(=O)N(CC)c1cccc(CO)c1 95399688 MBHOSAXPJXJTLG-UHFFFAOYSA-N 300.424 1.982 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101450309 JBDRXPMABAOOHB-FQUUOJAGSA-N 305.330 1.902 0 40 DDAB COc1ccc(CCNC(=O)Cn2cc(Cl)cn2)cc1OC 58017165 OEDQRDURZNNRCU-UHFFFAOYSA-N 323.780 1.913 0 40 DDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1 2093866 VVEAEVDKIOIKEN-UHFFFAOYSA-N 301.364 1.317 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCc1ccccn1)CS2 58131663 LFGKAXQILWLTKC-SWLSCSKDSA-N 305.403 1.194 0 40 DDAB COCc1ccccc1CNC(=O)CN1CCC([C@@H](C)O)CC1 71897289 JMIABSCXAIFFRM-CQSZACIVSA-N 320.433 1.542 0 40 DDAB CCN1CCC(NC(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1 58264757 LDLPKVRGRMBLTD-AWEZNQCLSA-N 318.417 1.847 0 40 DDAB C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)n1cncn1 44908817 IJUGAWXHZYEAON-QWHCGFSZSA-N 319.434 1.854 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3cscn3)C2)n1 107715254 QCEHLXUOTGMZDN-MVWJERBFSA-N 320.374 1.622 0 40 DDAB Cn1c(CN[C@H]2CCCC[C@H]2C(C)(C)C)cc(=O)n(C)c1=O 58429409 IRQTXAUIPUGTFH-KGLIPLIRSA-N 307.438 1.779 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cc(F)ccc1F 71847804 IUPVBPHTCHNVHZ-VIFPVBQESA-N 303.330 1.406 0 40 DDAB COc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1OC 10681869 ZFPHRRGKLAENFO-SNVBAGLBSA-N 301.364 1.113 0 40 DDAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@@H]2C)cc1 29721034 SFXLLTRACKWNQO-HEHGZKQESA-N 322.405 1.494 0 40 DDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1 12814860 MFAMMSSSOCQRNZ-UHFFFAOYSA-N 323.352 1.396 0 40 DDAB COC[C@H](C)n1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 3403004 JUZPJXIEJMLPCO-VHSXEESVSA-N 321.402 1.570 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(C)nn2C)c1 71865977 PRDLTNAYMWDCMI-AWEZNQCLSA-N 301.394 1.928 0 40 DDAB C[C@H](C(N)=O)S(=O)(=O)Cc1csc(-c2ccsc2)n1 71850389 OXXBWMHZKSBWOQ-SSDOTTSWSA-N 316.429 1.660 0 40 DDAB COc1ccc2nc(NC(=O)CN3CSCC3=O)sc2c1 14166713 OAYZTTUURXBRLY-UHFFFAOYSA-N 323.399 1.776 0 40 DDAB c1cc(CNc2ncnc3[nH]cnc23)cc(CN2CCOCC2)c1 65621143 VBTMLPRNNJRTQF-UHFFFAOYSA-N 324.388 1.797 0 40 DDAB NC(=O)c1cc(NC(=O)c2ccc3[nH]cnc3c2)cc(C(N)=O)c1 5827371 RSRYSGVLNBDATQ-UHFFFAOYSA-N 323.312 1.013 0 40 DDAB Cn1cc(N2CCC[C@H](NC(=O)c3cc(F)ccc3O)C2)cn1 80030664 VCJWJQYRBMWCRC-LBPRGKRZSA-N 318.352 1.664 0 40 DDAB CCOc1ccc(CN(C)[C@H](C)C(=O)N2CCNC2=O)cc1 7592742 WITLLKSUQVETCD-GFCCVEGCSA-N 305.378 1.457 0 40 DDAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(N)=O)c1Cl 8058084 GWZTXMFAPHNMSA-UHFFFAOYSA-N 311.190 1.374 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 8247586 IKDZKBTWZIFBHO-LBPRGKRZSA-N 306.362 1.201 0 40 DDAB C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCNC1=O 9494451 FBILHJMCTWFIRD-SECBINFHSA-N 322.386 1.724 0 40 DDAB Cc1nnc(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)s1 70036914 JIULJUKLDVXNDP-GFCCVEGCSA-N 320.422 1.536 0 40 DDAB O=C(C1CCN(c2ncnc3[nH]cnc23)CC1)N1CCCC1 9418998 WCJKPFCXIYPABS-UHFFFAOYSA-N 300.366 1.192 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)Nc2cc(C)nn2C)c1 69597153 BQJDTKHLYDGCLX-OLZOCXBDSA-N 304.398 1.411 0 40 DDAB CCn1ccnc1CN1CCN(C[C@@H](O)c2ccco2)CC1 69536096 MSULJDKFXVEIBK-CQSZACIVSA-N 304.394 1.347 0 40 DDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(F)cn3)cc12 69675511 JJTUIKWMWJRQKW-UHFFFAOYSA-N 321.337 1.612 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2CO)c(F)c1 69949989 WIMRZRTZYWTJOV-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB CC(C)[C@H](CNC(=O)NCc1ccncc1)N1CCN(C)CC1 71798618 ICCDEUOZJUOKAI-INIZCTEOSA-N 319.453 1.153 0 40 DDAB Cc1ccc(CNC(=O)N[C@@H](C)CCS(C)(=O)=O)cc1F 95416402 RVGMWBJMUGDGSF-NSHDSACASA-N 316.398 1.757 0 40 DDAB CCCCCS(=O)(=O)N1CC[C@@H](C(N)=O)c2ccccc21 97115552 OGZHIRXXCKTWPE-CYBMUJFWSA-N 310.419 1.986 0 40 DDAB CC[C@@H]1c2ccccc2CCN1C(=O)c1nc(O)[nH]c(=O)c1N 73678705 WMDSPPOGEBAVIJ-LLVKDONJSA-N 314.345 1.207 0 40 DDAB CN(C)c1ncc(CNC(=O)c2cccc3c2OCCO3)n1C 74094709 ZNFHDXLEJKWJHD-UHFFFAOYSA-N 316.361 1.187 0 40 DDAB COc1cccc2[nH]cc(CCNC(=O)N3CCC[C@H]3CO)c12 95996894 OIKHQPQVNNPIEQ-ZDUSSCGKSA-N 317.389 1.885 0 40 DDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CCOCC1 95953274 PASGRNNWBBUHDI-KRWDZBQOSA-N 316.401 1.818 0 40 DDAB CNS(=O)(=O)c1ccc([C@@H](C)NCCc2nc(C)no2)cc1 89518334 GAUOACDOUNNYOW-SNVBAGLBSA-N 324.406 1.179 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2nccnc2N)C1 75131799 BNKADPATOUKEMB-LLVKDONJSA-N 300.366 1.295 0 40 DDAB O=C1NC[C@H](C(=O)NCc2ccnc(OC3CCCCC3)c2)N1 89884791 LDZZPBNDISAOAI-CYBMUJFWSA-N 318.377 1.091 0 40 DDAB CC[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H]1N(C)C 89948555 KLOWVMQPCQXKIC-BXUZGUMPSA-N 317.389 1.430 0 40 DDAB CCc1ccc(CNC(=O)CN2CCCN(C(N)=O)CC2)s1 75684448 NLAGUZZWYLZLAG-UHFFFAOYSA-N 324.450 1.013 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNc2ccnc(C)n2)cc1 76061686 CHCKUWTUPASNDA-UHFFFAOYSA-N 306.391 1.484 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 76058839 IHZGUAYDSNRCSE-MLGOLLRUSA-N 320.393 1.444 0 40 DDAB COC(=O)C[C@@]1(NC(=O)c2noc3c2CCCCC3)CCOC1 547720593 ZGUCBBCWIVMKPV-INIZCTEOSA-N 322.361 1.396 0 40 DDAB N[C@]12CC[C@H]1CN(C(=O)NCCc1ccc3ncccc3c1)C2 1551470534 QYQDUNKCNXANRV-YJBOKZPZSA-N 310.401 1.910 0 40 DDAB Cc1noc(C)c1CC(=O)Nc1cccc(OCC(N)=O)c1 32905239 TYADBCACTVXVGQ-UHFFFAOYSA-N 303.318 1.337 0 40 DDAB Cc1cc(CNS(=O)(=O)c2cccc(F)c2)nc(N(C)C)n1 188288256 NHFRKVPIXNRELO-UHFFFAOYSA-N 324.381 1.469 0 40 DDAB O=C(Cn1cccn1)N1CC(c2nc(Cc3ccccc3)no2)C1 75156409 BPDKNNVAHUCHHX-UHFFFAOYSA-N 323.356 1.483 0 40 DDAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nccs1 71285496 RBTMBBLQDDDCTH-UHFFFAOYSA-N 302.363 1.769 0 40 DDAB NC(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)COc1ccccc1 72388687 XGROXSBHZQWNTO-CYBMUJFWSA-N 314.345 1.251 0 40 DDAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1cccc(Cl)c1 36635314 XAXZYKDQENDSMG-JTQLQIEISA-N 309.778 1.982 0 40 DDAB OCCN1CCC(c2csc(Nc3ncccn3)n2)CC1 72363465 QEXYTOAIUSHUDE-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB Cc1nc2ccccc2n(CC(=O)Nc2nccs2)c1=O 72405590 IXNKQNMJRRWSNL-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 71282943 IIPLLTFRYQHRGG-CHWSQXEVSA-N 314.345 1.622 0 40 DDAB Cc1cccc2c1[C@@H](NC(=O)c1cnn3c1CCCC3)C(=O)N2 72158539 NNAJUWHAAPUMNY-OAHLLOKOSA-N 310.357 1.951 0 40 DDAB O=C(CCCNC(=O)C1CC1)NCCOc1cccc(F)c1 32914630 JUFYYYKEEVWGNY-UHFFFAOYSA-N 308.353 1.627 0 40 DDAB COC(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1C 74966017 DJYKUPAJZYRWHI-UHFFFAOYSA-N 320.370 1.655 0 40 DDAB CCOC(=O)Cn1c(C)cc(=O)c2c(OC)ccc(OC)c21 40175635 SXNWEQKLPZETOU-UHFFFAOYSA-N 305.330 1.890 0 40 DDAB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958096 NZJABLGVLAZXDK-JTQLQIEISA-N 324.764 1.614 0 40 DDAB COc1ncc(C)cc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 567736559 SWSUDEVSTXEVTG-GXTWGEPZSA-N 304.394 1.957 0 40 DDAB CC1=C[C@]2(Nc3cc(C(C)C)ccc3O2)C(C(N)=O)=C(N)O1 40546240 LPNLGUHPQDWNRU-MRXNPFEDSA-N 301.346 1.900 0 40 DDAB CCc1ccccc1NC(=O)C[C@@H]1Cn2nc(C)nc2NC1=O 40386681 OFUKDKHTJCVHGN-GFCCVEGCSA-N 313.361 1.746 0 40 DDAB Cc1ncc(CNC(=O)[C@H]2CCCCN2C2CCCC2)c(=N)[nH]1 574508275 NLZXORJEGAIIOD-OAHLLOKOSA-N 317.437 1.611 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)NCc1ccco1)oc(=O)n2C 223332808 KNTXZUKTULYVJY-UHFFFAOYSA-N 322.342 1.511 0 40 DDAB COc1cc(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)ccn1 225521201 BNRKMHVMFUNZLM-GFCCVEGCSA-N 300.362 1.543 0 40 DDAB CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1 226157081 QFVIQCORGBJGDS-VYDXJSESSA-N 316.401 1.891 0 40 DDAB Cc1sc(=O)n(CC(=O)N(C)[C@H](CO)C(C)(C)C)c1C 195561522 IGRHLMFGLLVMTB-LLVKDONJSA-N 300.424 1.392 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)c1ccco1)CC2 96058800 UITSIIZWGVEGKV-UHFFFAOYSA-N 300.362 1.767 0 40 DDAB O=C(CN(C[C@@H](O)c1ccccc1)C1CC1)NC[C@@H]1CCCO1 96410581 AJRDPFYXIMIAIT-DLBZAZTESA-N 318.417 1.480 0 40 DDAB O=C(O)CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 238159118 JASPOVXEFNYPJZ-NSHDSACASA-N 309.341 1.744 0 40 DDAB CC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1C 97104132 VJEJFNAYHZOEDX-ZDUSSCGKSA-N 313.361 1.926 0 40 DDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cn1 95471361 DSNMWBMGROPAJD-LBPRGKRZSA-N 316.336 1.546 0 40 DDAB O=C(c1ccoc1)N1CCO[C@H]2[C@@H]1CC[C@@H]2Cn1cnnc1 96055369 PEFVAOPRSSYASJ-KWCYVHTRSA-N 302.334 1.191 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccnnc1)C2 96061785 RQSWUTLJRNEOON-UHFFFAOYSA-N 314.393 1.169 0 40 DDAB CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCc4ccnc(C)c4)[C@H]1[C@H]3C2 334078103 KNFOYYFFUASAEM-XFIYOXNOSA-N 301.390 1.955 0 40 DDAB CCO[C@@H]1CCN(Cc2nccn2C)[C@@H]1Cc1cnn(C)c1 96200622 DUMWYKBFFFNHAL-HUUCEWRRSA-N 303.410 1.376 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccncc1 96055222 ACAYDEMXNRJPKB-OKZBNKHCSA-N 319.449 1.639 0 40 DDAB C[C@@H]1CN([C@@H]2CCOC2)C[C@]12CCN(Cc1cccnc1)C2=O 96201733 AREMJOCEMOTUAO-QGPMSJSTSA-N 315.417 1.541 0 40 DDAB C[S@](=O)c1nncn1CCC(=O)Nc1cccc(Cl)c1 96424918 ULJNLDSVNKPUHU-HXUWFJFHSA-N 312.782 1.698 0 40 DDAB Cn1c(N2CCC[C@@H](C(=O)O)C2)nc(C(F)(F)F)cc1=O 96516803 OKGSSWLAKUWHOT-SSDOTTSWSA-N 305.256 1.100 0 40 DDAB O=C(COc1cccnc1)N[C@H]1CCCN(c2ccccn2)C1 257224248 FAYFTRKQNXTXPJ-AWEZNQCLSA-N 312.373 1.641 0 40 DDAB O=C(Cn1cccn1)N1CCC(c2ccn3nccc3n2)CC1 257285501 PHKUISFRXPJRGH-UHFFFAOYSA-N 310.361 1.332 0 40 DDAB CNC(=O)[C@]1(C)CN(CCCOc2ccccc2F)CCO1 257310652 UFZNBRIVVSMDEL-INIZCTEOSA-N 310.369 1.432 0 40 DDAB O=C1CO[C@@H]2CN(Cc3ccccn3)C[C@H]2N1Cc1ccccc1 257302356 SCPBUALRFUYELQ-QZTJIDSGSA-N 323.396 1.693 0 40 DDAB Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257335411 YKAUOCLSUQANHE-LLVKDONJSA-N 321.406 1.314 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cn1 257247848 JAVJKZSIXJDFTN-LBPRGKRZSA-N 314.345 1.606 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCc1ccccc1C 253435804 HEFIZMXGUNGQKH-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB COC(=O)c1occc1CSc1nnnn1C1CCOCC1 69569278 YVKMQMIEUOODPG-UHFFFAOYSA-N 324.362 1.697 0 40 DDAB Cc1cncc([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)n1 257244932 INJXYICQJATFKW-CYBMUJFWSA-N 321.406 1.353 0 40 DDAB O=C1CO[C@@H]2CCN(CC3=Cc4ccccc4OC3)C[C@@H]2N1 257257273 KOVRJKKCXCBGAE-GOEBONIOSA-N 300.358 1.052 0 40 DDAB CCn1c(C)nc2cc(C(=O)NNC(=S)NC3CC3)ccc21 7522681 KAUQWBUKECVRPF-UHFFFAOYSA-N 317.418 1.636 0 40 DDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@@H]3OCC[C@@H]32)c1 585108880 BCJMCPSJLZIBKH-JYJNAYRXSA-N 316.401 1.621 0 40 DDAB Cc1cn(CC(=O)N2CCCO[C@@H](CN)C2)c2ccccc12 1549123937 JWWMEFMEMPFGFD-AWEZNQCLSA-N 301.390 1.526 0 40 DDAB c1cnc(N2CCC(NCc3cccc4c3OCO4)CC2)nc1 44948754 TURAGMWTWDSLPI-UHFFFAOYSA-N 312.373 1.964 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 56677868 STEONGGMUNYHMV-LLVKDONJSA-N 314.382 1.423 0 40 DDAB O=C(NCCc1csc(N2CCCC2)n1)c1ccc(=O)[nH]c1 72287605 LSQJGPHNEVLWCB-UHFFFAOYSA-N 318.402 1.404 0 40 DDAB NC(=O)CN1CCC[C@@H]1c1csc(Nc2ccccn2)n1 72384658 YIHUOSLKHKVGJY-LLVKDONJSA-N 303.391 1.904 0 40 DDAB CCNS(=O)(=O)CCNC(=O)c1cc2cc(C)c(C)cc2o1 80177057 JIOBSPISEUQMAT-UHFFFAOYSA-N 324.402 1.719 0 40 DDAB NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)ccn1 93260951 YNNSWEPZBQCPSN-UHFFFAOYSA-N 303.284 1.586 0 40 DDAB CCN=c1ccnc(N2CCN(CCc3ccccc3)CC2)[nH]1 1889133927 ZNDAYYLWXVFHQD-UHFFFAOYSA-N 311.433 1.695 0 40 DDAB Cc1cccc(OC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)n1 96119548 ARALLBWDYNLYEN-ZDUSSCGKSA-N 317.389 1.238 0 40 DDAB COc1cc(OC)nc(N2CCN(c3ccc(F)cc3)CC2)n1 1502297 GSVSDHYMTGSDEC-UHFFFAOYSA-N 318.352 1.960 0 40 DDAB CCOc1ccc(C(=O)Nc2c(N)nc(SC)[nH]c2=O)cc1 11363912 HZHJYEJUVMJUMO-UHFFFAOYSA-N 320.374 1.725 0 40 DDAB O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 13239000 LZYLIJORAYBGET-VIFPVBQESA-N 309.265 1.299 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2nc3ccsc3c(=O)n2CC1 13268338 NCGRJTBQQGSFQC-LLVKDONJSA-N 319.386 1.022 0 40 DDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCCC1 13582927 QMSYQEPSMSDDIB-UHFFFAOYSA-N 312.391 1.327 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCO[C@H](Cn2ccnc2)C1 19372738 AXWRHFWOHJPYAU-OAHLLOKOSA-N 321.402 1.114 0 40 DDAB CN1CCN(c2nc(O)cc(Cc3ccccc3F)n2)CC1 19590116 ICOZCUOATVIPFO-UHFFFAOYSA-N 302.353 1.664 0 40 DDAB COCCC(=O)N1CCC[C@H](c2cc(CN(C)C)n(C)n2)C1 19709036 XROCLNNPKHJGTJ-ZDUSSCGKSA-N 308.426 1.224 0 40 DDAB Cc1cc(C)n(CC(=O)N2CC[C@H](C(=O)NC3CCCC3)C2)n1 19747746 CGFYXFOKRVRVJF-AWEZNQCLSA-N 318.421 1.407 0 40 DDAB COc1cc2c(cc1NC(=O)CN1CCOCC1)O[C@H](C)C2 19789412 LWKUFRHTFNHFFC-LLVKDONJSA-N 306.362 1.289 0 40 DDAB O=C(O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 13405888 QFJPRPFDPLCSGS-UHFFFAOYSA-N 306.299 1.751 0 40 DDAB O=C1CN([C@H](C(=O)N2CCCCC2)c2ccccc2)CCN1 15479746 IYRBQTDNDQZDTJ-INIZCTEOSA-N 301.390 1.172 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21 2037985348 GXUXDWKCMGKGCN-HOTGVXAUSA-N 316.401 1.325 0 40 DDAB O=C(c1cc[nH]c1)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1 1565547594 QKSUABHXJUVKKM-RHSMWYFYSA-N 317.389 1.305 0 40 DDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[C@@H]1CCCO1 425345 LINMRCJYUMUGQW-JTQLQIEISA-N 319.386 1.354 0 40 DDAB COc1cccc(C(=O)Nc2nnc(SCC(N)=O)s2)c1 4328469 BGXZXYQZUMOYOG-UHFFFAOYSA-N 324.387 1.376 0 40 DDAB CC(=O)N1C(=S)N=C(O)/C1=C\c1cc2ccccc2[nH]c1=O 4646046 RRZKBMJWPPLRDS-KPKJPENVSA-N 313.338 1.973 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)no1 10330805 RXIYQFJKPQUHDW-CYBMUJFWSA-N 316.361 1.341 0 40 DDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(C)C)C[C@H]3O2)cn1 2055729787 KVGKWCBZXIRTFU-CWRNSKLLSA-N 318.421 1.289 0 40 DDAB CCCc1nnsc1C(=O)NCC1(N2CCOCC2)CCC1 1775974547 JBZKHPCHFCVBGY-UHFFFAOYSA-N 324.450 1.475 0 40 DDAB COCCN1C(=O)[C@@H](C(=O)O)[C@@H]2C[C@]1(C)Oc1ccccc12 100213068 ANWDCYJXIAXLRD-FFSVYQOJSA-N 305.330 1.458 0 40 DDAB O=C(/C=C/c1ccco1)N1CCC(N2C(=O)CSC2=O)CC1 206979056 GWMWAYLVHZWLSC-ONEGZZNKSA-N 320.370 1.979 0 40 DDAB Cc1ccc(=O)n(CC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 585501489 GNYFBEAAFKATQU-HOTGVXAUSA-N 305.422 1.567 0 40 DDAB C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)n1cncn1 40496381 UGCAZDQGKKGVDE-UONOGXRCSA-N 317.393 1.776 0 40 DDAB COc1cccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)c1OC 100647403 TZEIFNMYGLSEMU-JTQLQIEISA-N 302.290 1.279 0 40 DDAB Cn1c(O)c([C@@H]2NCCc3ccccc32)c(=O)n(C)c1=S 20410413 SSYLBQSLKFFPHT-GFCCVEGCSA-N 303.387 1.394 0 40 DDAB biogenic COc1ccc2c(CC(=O)N[C@@H]3CCCCNC3=O)coc2c1 40522023 JPJTYVCFUAMUBA-CQSZACIVSA-N 316.357 1.769 0 40 DDAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 40520786 DCURIKZVPXSPKG-ZDUSSCGKSA-N 310.357 1.772 0 40 DDAB CC(=O)Nc1nc(C(=O)NCCCN2CCC[C@@H](C)C2)cs1 40534695 YKRXSQDYEOBGQI-LLVKDONJSA-N 324.450 1.953 0 40 DDAB Cc1csc(=O)n1CCC(=O)NCCN1CCCC[C@@H]1C 46860318 WULRHZLYLLUMBZ-LBPRGKRZSA-N 311.451 1.599 0 40 DDAB O=C(CCNC(=O)c1ccco1)N[C@H](CO)c1ccccc1 95349171 WLACMHRLAXOWCB-CYBMUJFWSA-N 302.330 1.249 0 40 DDAB COc1ccc([C@H](NC(=O)c2ccc(=O)n(C)n2)C(C)C)cc1 22469388 NYHVXGGPEOBRMQ-MRXNPFEDSA-N 315.373 1.916 0 40 DDAB CC(C)Cc1n[nH]c(NC(=O)C[C@@H]2NC(=O)c3ccccc32)n1 79491938 HKKXJOAICWMBOA-LBPRGKRZSA-N 313.361 1.817 0 40 DDAB Cn1ccs/c1=N\C(=O)CCc1nc(-c2ccncc2)no1 22900289 GPYSEFZYLUJPLN-PEZBUJJGSA-N 315.358 1.592 0 40 DDAB NC(=O)c1cnc(NCCNC(=O)c2cccs2)c(Cl)c1 54060405 SCVYWOCWQYFGCP-UHFFFAOYSA-N 324.793 1.737 0 40 DDAB COc1cc2c(=O)[nH]c(=O)[nH]c2cc1OCCCN1CCCC1 97756582 VBBLLKGGXRMCDM-UHFFFAOYSA-N 319.361 1.090 0 40 DDAB Cc1c(C(=O)NCCCC(N)=O)cnn1-c1ccccc1F 42925338 VWQFGQKKDCRMEU-UHFFFAOYSA-N 304.325 1.315 0 40 DDAB CN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(F)c(F)c1 55021046 DTACQMYLPCIUCH-UHFFFAOYSA-N 305.288 1.571 0 40 DDAB COC(=O)C1(NC(=O)CN2CCCCCC2=O)CCCCC1 55452595 MLPCZJVTJMJZKV-UHFFFAOYSA-N 310.394 1.381 0 40 DDAB CCCc1nnc(S)n1CC(=O)NOCc1ccccc1 25038625 YRAMHBHUDXGCPI-UHFFFAOYSA-N 306.391 1.767 0 40 DDAB c1cc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccn1 108222891 WJZCSFWLMAHCAB-HOTGVXAUSA-N 311.389 1.209 0 40 DDAB NC(=O)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1 12517300 SBIYSQWWQGBIBJ-UHFFFAOYSA-N 311.385 1.813 0 40 DDAB CNC(=O)c1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)cc1 109003606 NMODOWRAVPXFHJ-OAHLLOKOSA-N 301.390 1.289 0 40 DDAB CC[C@@H](C)NC(=O)CN1CCN(Cc2c(C)noc2C)CC1 44742238 OUTLPVUAPPBCCY-GFCCVEGCSA-N 308.426 1.324 0 40 DDAB CC(=O)c1cccc(OCC(=O)N[C@H](C)Cn2cccn2)c1 44934072 IJIOVCULPXXGCG-GFCCVEGCSA-N 301.346 1.669 0 40 DDAB CN(Cc1ccco1)C(=O)[C@H]1CCCCN1S(C)(=O)=O 44907284 VAQXWUUSBDEYNB-GFCCVEGCSA-N 300.380 1.052 0 40 DDAB COc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)C)c(OC)c1 27961486 QOAJDTVYPMLLCX-ZDUSSCGKSA-N 314.407 1.647 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H](C)n1cccn1 28443082 IAHRMNXLDAHXGX-LLVKDONJSA-N 319.361 1.786 0 40 DDAB O=C(NCCCCCO)C(=O)Nc1ccccc1C(F)(F)F 170322496 XZXUOGSAMQMEDH-UHFFFAOYSA-N 318.295 1.923 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)CCO1 45323909 KYDAZPDUKRACDA-CYBMUJFWSA-N 315.377 1.257 0 40 DDAB CCOC(=O)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12 2314552 FDZBVHYTJPDFMI-UHFFFAOYSA-N 304.302 1.765 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48386800 KDKBRVMORWMKEJ-KBPBESRZSA-N 306.362 1.175 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1cc[nH]n1 48341401 RIYVBWLQRZLDLQ-LBPRGKRZSA-N 302.334 1.391 0 40 DDAB CCCn1nc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1=O 11781982 BNIKCKYZBFVYKJ-UHFFFAOYSA-N 317.345 1.923 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)o1 29502174 XMHLURKVELSNSS-VIFPVBQESA-N 312.347 1.580 0 40 DDAB Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCNCC1)O2 27518429 UBQNZKMELMBKHG-GOSISDBHSA-N 318.417 1.833 0 40 DDAB Cc1nc(C)c(C(=O)NCCNC(=O)c2cccs2)s1 46200301 CYOBSLWZTNDRSA-UHFFFAOYSA-N 309.416 1.981 0 40 DDAB O=c1[nH]c(N2CCC3(CC2)OCCO3)nnc1-c1ccccc1 11905832 OKIBCMKWZGEEGR-UHFFFAOYSA-N 314.345 1.175 0 40 DDAB O=C(CCCOc1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 12999030 IPDZPFZMJNMPNG-GFCCVEGCSA-N 315.366 1.288 0 40 DDAB Cc1cc(C)c2c(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)n[nH]c2n1 71284678 OBIMBSPRXYLZRF-ZJUUUORDSA-N 302.334 1.870 0 40 DDAB C[C@H](CNC(=O)N1CC[C@@H](C(N)=O)C1)COCc1ccccc1 65494021 ODNXVZHOYBTQFZ-UKRRQHHQSA-N 319.405 1.356 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 4694692 MMNBMBLIBREEPZ-IZZDOVSWSA-N 323.326 1.610 0 40 DDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccncc2)c1 6934171 IPIARLNVTPXMOK-UHFFFAOYSA-N 306.343 1.833 0 40 DDAB Cc1ccc2nc(CN3CCN(c4ncccn4)CC3)cn2c1 7446042 IPXFPKMWNOHDML-UHFFFAOYSA-N 308.389 1.755 0 40 DDAB CCN1CCN(C2=CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 19899432 TWLSZACKMPJVSL-UHFFFAOYSA-N 319.792 1.735 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 9550307 XKOCENJLVYZYFK-AWEZNQCLSA-N 302.330 1.646 0 40 DDAB CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(N)=O 71823955 DSDMHLBEGWYZFQ-UHFFFAOYSA-N 307.737 1.989 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)C1CC1 71805614 HJLZVMGJCFSNJZ-GFCCVEGCSA-N 302.330 1.755 0 40 DDAB Cn1cc(N2CCC[C@H](N[C@H](C(N)=O)c3ccccc3)C2)cn1 98014375 MPGUICMJDQXPJA-HOCLYGCPSA-N 313.405 1.205 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccccc1F 69457191 FJCBFWGAGWDVJW-OAHLLOKOSA-N 321.396 1.498 0 40 DDAB CCOCCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69586974 FOJPDSDWONAAIY-AWEZNQCLSA-N 321.421 1.857 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1c(C)noc1C(C)C)C2 69593069 BFONTYDATSETDQ-UHFFFAOYSA-N 303.366 1.916 0 40 DDAB C[C@@](O)(CC(=O)O[C@H](C(N)=O)c1ccc(F)cc1)C(F)(F)F 71916811 DLJHSRKUONWHPV-CMPLNLGQSA-N 323.242 1.599 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)[C@H]2CCCO2)CC1 69656055 IKENQIAUIYZYSL-CQSZACIVSA-N 306.410 1.116 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1ccccc1Br 88374959 LJXGTOQKQGLJIC-SNVBAGLBSA-N 314.135 1.375 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN(CCCS(C)(=O)=O)C2)n1 69701337 YYSIJJRMXOYCJG-CQSZACIVSA-N 314.455 1.042 0 40 DDAB NS(=O)(=O)CCCNc1nc(C(F)F)nc2ccccc12 69778047 GLMDUWBAZZHTOW-UHFFFAOYSA-N 316.333 1.658 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 69772102 MIDJIVKTVGCPOS-HZPDHXFCSA-N 302.418 1.705 0 40 DDAB O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1cnc[nH]1 70415377 ZPTAWAVSRICBKP-UHFFFAOYSA-N 301.711 1.562 0 40 DDAB CC[C@@H](O)CCNS(=O)(=O)N1CCC(C(C)(C)C)CC1 92014811 FSTJWYIVHSDVBW-CYBMUJFWSA-N 306.472 1.740 0 40 DDAB CCS(=O)(=O)N1CCc2c(cccc2NC(=O)NC2CC2)C1 69844029 OETFIGKYVXPKBR-UHFFFAOYSA-N 323.418 1.678 0 40 DDAB CCN1CCN(c2ccc(C(=O)O[C@@H]3CCOC3)cc2)CC1 97039080 YJKSTXRTDYLUOG-MRXNPFEDSA-N 304.390 1.774 0 40 DDAB Cc1cc(CS(=O)(=O)NCc2ccc3c(c2)OCO3)on1 72275097 DYRUYJDSKCLUBL-UHFFFAOYSA-N 310.331 1.331 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)n1 72277961 AQBBWDTXHJAPBE-CABCVRRESA-N 305.426 1.543 0 40 DDAB COc1ccc(C[C@@H](C)CNC(=O)[C@H]2CN(C)CCO2)cc1 89298565 VGMHEWGTGHSKHE-CZUORRHYSA-N 306.406 1.321 0 40 DDAB COc1cccc2c1CCCCN2C(=O)[C@@H]1CC(=O)N(C)C1 89374860 XQRBDHAKERVUEF-GFCCVEGCSA-N 302.374 1.843 0 40 DDAB CCn1ccnc1CN1CCO[C@@H](Cn2nc(C)nc2C)C1 75132204 ODUAHNFHMBFTGZ-CQSZACIVSA-N 304.398 1.012 0 40 DDAB CCN1CCCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 89977253 LDRMQIUFMGGPEN-UHFFFAOYSA-N 317.433 1.812 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1ccc(C)nc1)CC2 89986360 FYBBGNWVRZEOBB-HOTGVXAUSA-N 318.417 1.711 0 40 DDAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cnn(C)c1Cl 72242584 RRTUKZUVSZKTFC-GFCCVEGCSA-N 305.769 1.979 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](CN)[C@@H]1c1ccc(Br)cc1 218206014 BWGKWIMXFIPLAY-GRYCIOLGSA-N 318.236 1.925 0 40 DDAB O=C([C@@H](O)C1CCCCC1)N1CCC[C@@H]1c1ccc(O)nn1 530077284 BRVBEDITNMCJND-HIFRSBDPSA-N 305.378 1.787 0 40 DDAB Cc1ccc(-n2cc(C(=O)N3CCC[C@H]3c3ncon3)nn2)cc1 552478827 XTPSHUKJKWYQMM-AWEZNQCLSA-N 324.344 1.936 0 40 DDAB CCOc1ccccc1/C=C/C(=O)N[C@H]1CCS(=O)(=O)C1 31612151 OBCCZZVUXLHSOR-GWJCSSMESA-N 309.387 1.402 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NCc1nc(-c2cccnc2)no1 72401724 FNOAIABCVNCUHA-WDEREUQCSA-N 316.317 1.105 0 40 DDAB O=C1CC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)CN1 73317197 RFPULZFOLLJENS-UHFFFAOYSA-N 324.327 1.472 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccc2)[C@H]1c1ccccc1 72238063 JRCMWQLZNNSPNP-MSOLQXFVSA-N 324.380 1.901 0 40 DDAB CC(C)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72356361 VZDKWEHMCQUNDC-CYBMUJFWSA-N 306.410 1.470 0 40 DDAB COC[C@@H]1C[C@H](OC)CN1C(=O)c1cc(Br)c[nH]1 566812196 QQDYQZMUMOSCCH-UWVGGRQHSA-N 317.183 1.653 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)Cc2ccccc2OC)C[C@H]1C 74557311 WOSYEWCIEQYMPQ-GASCZTMLSA-N 320.433 1.805 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(C(F)(F)F)c1 187572657 PTQLUCGPBPUNLD-VXGBXAGGSA-N 321.270 1.953 0 40 DDAB Cc1cc2n(CCNC(=O)c3ccc4nccnc4c3)ccn2n1 225579226 DZIPOILVXQOTDG-UHFFFAOYSA-N 320.356 1.817 0 40 DDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccoc2)C1 225505297 GXAMUZWGWAVQGS-CYBMUJFWSA-N 316.361 1.819 0 40 DDAB CC(C)[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225233198 WQHVVVVVWQBWHQ-GXTWGEPZSA-N 312.435 1.780 0 40 DDAB CCN1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 41184154 XGJXTHOZZGRVQZ-UHFFFAOYSA-N 320.418 1.895 0 40 DDAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCc2ccco2)c1 225966903 UXZVUUAFYMHFMH-UHFFFAOYSA-N 322.386 1.996 0 40 DDAB Cn1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c1 89750266 YSDUHCVLRWSHBD-UHFFFAOYSA-N 321.280 1.945 0 40 DDAB O=C(Cc1ccc(-n2cnnc2)cc1)NC1(C(=O)O)CCCC1 573316302 PGPWLBQOKOGVRA-UHFFFAOYSA-N 314.345 1.323 0 40 DDAB CC[C@@H](O)CN(Cc1nc(N)nc(N(C)C)n1)c1ccccc1 83169989 GFSGNZOPGVQYOQ-CYBMUJFWSA-N 316.409 1.297 0 40 DDAB COc1cccc([C@H](C)N[C@@H](C)C(=O)N2CCC[C@@H]2CO)c1 195579332 SQYHNWPUNBXUIC-KCQAQPDRSA-N 306.406 1.718 0 40 DDAB Cn1ccc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc21 95480126 PANUCSMNRXWMMV-UHFFFAOYSA-N 323.356 1.727 0 40 DDAB Cc1ccc(N2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)nn1 96065512 XOSMPWAFCWRHCW-RBSFLKMASA-N 316.405 1.438 0 40 DDAB CN1CCN(CC(=O)NCC2(Cc3ccccc3)CCC2)CC1 96466453 DOGZVYXCTQCUFT-UHFFFAOYSA-N 315.461 1.763 0 40 DDAB CCCc1n[nH]cc1C(=O)N1CCC2(CC1)CN[C@@H](C(=O)O)C2 91351183 YNCGMOAOOTXGTQ-CYBMUJFWSA-N 320.393 1.031 0 40 DDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](C(=O)N3CCCO3)[C@H]2C1 96219559 BNAPXPCCLAUJLF-JHJVBQTASA-N 323.418 1.062 0 40 DDAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCC(C)C)n1 95472501 XETANECXWMXNAQ-UHFFFAOYSA-N 315.373 1.691 0 40 DDAB O=C(NCc1ccc(Cl)cn1)NC[C@@H]1CC(=O)N(C2CC2)C1 96500363 UOPWGYPAXRPQJG-JTQLQIEISA-N 322.796 1.545 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1 96040965 AEKPOKMTXDPRJD-JYJNAYRXSA-N 303.406 1.586 0 40 DDAB COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)on1 96231904 OSFQLVRGTUHKTM-ZDUSSCGKSA-N 318.329 1.428 0 40 DDAB O=C(c1ccoc1)N1CCCn2nnc(COCC3CC3)c2C1 96256075 UVQJPFSGZDCVJY-UHFFFAOYSA-N 316.361 1.844 0 40 DDAB COCCN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O 96157767 KNBMSRKLVXLIGR-UHFFFAOYSA-N 308.357 1.081 0 40 DDAB Cc1ccc(N[C@@H]2CO[C@]3(CCN(C(=O)CC4CC4)C3)C2)nn1 96219567 VLLFNHNZKUKHDG-WMLDXEAASA-N 316.405 1.757 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1COCCO1 248130500 NAGQNTKJKZJQQS-GOEBONIOSA-N 304.390 1.659 0 40 DDAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)n1 257322985 WIHMBCFWBCRWAO-OAHLLOKOSA-N 312.373 1.769 0 40 DDAB CO[C@H](C)CS(=O)(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 252494280 NQPQSLOAYZWHPG-SNVBAGLBSA-N 314.407 1.226 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N[C@@H](Cn1nccn1)c1ccccc1 253402214 OAYNBQLHSJAFJD-HNNXBMFYSA-N 324.388 1.800 0 40 DDAB Nc1nccnc1[C@H]1CN(C(=O)Cc2ccsc2)CCO1 257289777 QADHGZJMICDCPG-LLVKDONJSA-N 304.375 1.263 0 40 DDAB Cc1ncccc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257289978 QAZPEHJFEWCGTE-RBSFLKMASA-N 300.362 1.471 0 40 DDAB O=C(N1CC[C@@](O)(CN2CCCC2)C1)C1(c2ccccc2)CC1 257332502 XXOLIACYLBAPAL-GOSISDBHSA-N 314.429 1.777 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 252514943 FIWUXWIFWKYTGM-LOWVWBTDSA-N 302.323 1.054 0 40 DDAB Cn1nccc1CCC(=O)N[C@H]1CCCN(c2ccccn2)C1 257201384 AHMHDBNFKALEEN-AWEZNQCLSA-N 313.405 1.533 0 40 DDAB CN1C(=O)CCC[C@@H]2CN(C(=O)CCCn3ccnc3)CC[C@H]21 257298933 RNYDZMZNSZQGAT-HUUCEWRRSA-N 318.421 1.523 0 40 DDAB Cc1cc(-c2cc[nH]n2)nc([C@H]2CCCCN2S(C)(=O)=O)n1 257289772 QACPTIZSLAMATM-CYBMUJFWSA-N 321.406 1.662 0 40 DDAB c1cc2nncn2nc1N1CC2(C[C@H](OCC3CC3)CS2)C1 253596113 NGCFQOFKJBJCGL-LBPRGKRZSA-N 317.418 1.615 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257309486 UBDAPIHTHIGMMV-OAHLLOKOSA-N 315.377 1.362 0 40 DDAB COc1ccc2c3c1O[C@]1(C)[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 253505004 OMGSJARTUSJECS-UPCNGNSLSA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252515823 NVTZOBTVXRSMQW-YNEHKIRRSA-N 303.811 1.442 0 40 DDAB COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1 260842957 ZDQKNIPNKWMNNQ-YGRLFVJLSA-N 310.375 1.058 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[nH]2)cc1 25375077 XHEVODYMGQRPPO-UHFFFAOYSA-N 323.312 1.890 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)Nc2cnn(C)c2)CC1=O 25305784 SYFOVHRTFALWFN-CYBMUJFWSA-N 312.373 1.974 0 40 DDAB O=C(O)CCCN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 575422268 UJRKWBLATIQBPM-CQSZACIVSA-N 311.403 1.541 0 40 DDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N(C)C)C1 585095220 KVFKAMQFDJPOEN-AWEZNQCLSA-N 306.410 1.681 0 40 DDAB COC[C@]1(CC(=O)Nc2c(C)nn(C)c2C)CCCN1C(C)=O 585280599 KZZZJBIHYUTUKE-MRXNPFEDSA-N 322.409 1.393 0 40 DDAB CN(C(=O)Cn1c(-c2ccccc2)noc1=O)c1nccs1 69529770 HXNNZIIDWODDDF-UHFFFAOYSA-N 316.342 1.623 0 40 DDAB NC(=O)C1(CNC(=O)Cc2ccc(Cl)cc2)CCOCC1 52743162 PRVZDKKOBNARNF-UHFFFAOYSA-N 310.781 1.281 0 40 DDAB CCN(Cc1ccccc1)C(=O)CNc1ncnc2[nH]cnc12 57152333 BNGPZCXJDKRABQ-UHFFFAOYSA-N 310.361 1.814 0 40 DDAB Cn1cc(CCC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cn1 76636887 AHBKQMXULBYVFA-AWEZNQCLSA-N 312.373 1.044 0 40 DDAB CC(C)n1ccc(CC(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 79754346 DBWKUCHFXFQJQN-CQSZACIVSA-N 319.409 1.023 0 40 DDAB CCS(=O)(=O)N1CCc2cc(C(=O)NCC(C)C)ccc21 13610084 YVBKQNJPHUAACI-UHFFFAOYSA-N 310.419 1.785 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCC1 14352405 YFOUGWMSSGUGCF-GFCCVEGCSA-N 315.377 1.879 0 40 DDAB CCc1ncc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cn1 19523447 WQWCLDCYPUEVNF-MRXNPFEDSA-N 324.432 1.812 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1ccc(Cl)cc1Cl 107286586 RNOUDXVITKRMRV-DXBFQKDVSA-N 304.173 1.855 0 40 DDAB C[C@H](C(=O)N1CCC[C@H]1C(=O)O)N1CCc2ccccc2C1 36108171 UDIWVRHHDGOWCO-DOMZBBRYSA-N 302.374 1.509 0 40 DDAB COC(=O)CCCC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390831979 WKTZWCFRVCCKFA-GFCCVEGCSA-N 306.366 1.272 0 40 DDAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnnn2C)cc1 2618426 OUZQNJSBRHVEDS-SECBINFHSA-N 307.379 1.016 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)NNc1nc(C)cc(C)n1 7060873 KJVXVHKYDPUPIA-UHFFFAOYSA-N 322.390 1.716 0 40 DDAB Cc1ccc(N2CC(N(C)C(=O)NC3CCCCC3)C2)nn1 1888850331 QOLVTIJVIDQJOL-UHFFFAOYSA-N 303.410 1.948 0 40 DDAB Cc1nc(N2CCN(c3ccncn3)CC2)c2ccncc2n1 1889139088 AUOBEVOCTFVFIK-UHFFFAOYSA-N 307.361 1.450 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(C(N)=O)cc1 23223807 KRLDLKPRTRPFCG-TXEJJXNPSA-N 318.373 1.732 0 40 DDAB COCCNC(=O)COc1c(Cl)cc(C(=O)O)cc1Cl 13423171 KOMGDFQWDUUQEB-UHFFFAOYSA-N 322.144 1.833 0 40 DDAB CCOC[C@@H]1CN(C(=O)CC2(OC)CCC2)Cc2cn(C)nc21 1614933862 HKXATHPRTMOGGU-AWEZNQCLSA-N 321.421 1.842 0 40 DDAB COc1ccc(Cn2ccn(CC3CCC3)c(=O)c2=O)cc1 2086939559 KLMLIDOKLWIKTB-UHFFFAOYSA-N 300.358 1.867 0 40 DDAB CCc1ccc(C(=O)N2CC[C@@H]3CN(CC)CCO[C@@H]3C2)cn1 1565552971 FIQLPBXEMXHXHT-NVXWUHKLSA-N 317.433 1.827 0 40 DDAB CC(C)N1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2C 1425544 DDDYBLNGANVLSM-AWEZNQCLSA-N 301.346 1.593 0 40 DDAB CSc1nnc(C)c(=O)n1COC(=O)c1ccc(F)cc1 4495783 VQBAAILKQUSORM-UHFFFAOYSA-N 309.322 1.622 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1nc2ccc(F)cc2s1 6495565 CILYGQUXAFPFMT-UHFFFAOYSA-N 307.306 1.523 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1 9571009 RNAKNYKANHDGKY-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB O=C(NCCc1ccccc1)c1c(O)nc2sccn2c1=O 16690011 AQCKKEYOKLBQBI-UHFFFAOYSA-N 315.354 1.434 0 40 DDAB C[C@H](C(=O)NCc1cccs1)n1nnc2ccccc2c1=O 44450458 LJHPQXDWEJPJLK-SNVBAGLBSA-N 314.370 1.730 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@]1(O)C=CCCC1 606440396 KSYMFEXEIDDOLR-MRXNPFEDSA-N 302.330 1.182 0 40 DDAB COc1cccc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298187935 ABWFYQJOSWCBJB-UHFFFAOYSA-N 321.446 1.882 0 40 DDAB COc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)cc1 40478870 XBMCBMNAAHUEFF-UHFFFAOYSA-N 312.281 1.386 0 40 DDAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 30604686 PXWFIZKOFYALQU-RYUDHWBXSA-N 321.402 1.243 0 40 DDAB O=C(CCc1nc(-c2ccccn2)no1)NCC(F)(F)F 30604988 QHRHIZVVJVDCEN-UHFFFAOYSA-N 300.240 1.743 0 40 DDAB CC[C@H]1CN(C(=O)C[C@H](NC(C)=O)c2cccs2)CCO1 30851762 RTLIVPSWESLDQJ-STQMWFEESA-N 310.419 1.953 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCc3sccc3C2)c(=O)[nH]1 31263947 YCBCUILRXGQNMF-UHFFFAOYSA-N 303.387 1.576 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CCCN(c2ncccn2)C1 32657646 BXNSIUJUOZOKAH-AWEZNQCLSA-N 311.389 1.447 0 40 DDAB Cc1noc(C)c1CNC(=O)c1cn(Cc2ccccc2)nn1 95955231 MOQSFBWALNQAJH-UHFFFAOYSA-N 311.345 1.861 0 40 DDAB O=c1[nH]c(=O)c2[nH]c(Br)c(Br)c2[nH]1 1700827 IXNBSULCPZTZJF-UHFFFAOYSA-N 308.917 1.070 0 40 DDAB O=C(NC1CC1)N(CCO)Cc1cnn(Cc2ccccc2)c1 79355100 MWWOSWPPUZMCOU-UHFFFAOYSA-N 314.389 1.598 0 40 DDAB O=C(Nc1ccc(-n2cncn2)nc1)c1n[nH]c2ccccc12 23055519 KLJIOJKZUKZDPD-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB CC1(C)O[C@H]2O[C@@H]3[C@H](CN)O[C@H](c4ccccc4)O[C@@H]3[C@H]2O1 4801893 WDJTYDGUYHVEBN-ZLCQRPCESA-N 307.346 1.304 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 6919482 WJPRYYAJOXXOHT-UHFFFAOYSA-N 318.354 1.991 0 40 DDAB CN1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 42752112 CUYPAJMAKROKHW-UHFFFAOYSA-N 315.421 1.092 0 40 DDAB CS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 10335178 DEWDGOSQVZZEJA-MISXGVKJSA-N 308.403 1.977 0 40 DDAB CN(C)CCCNc1c(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)c1=O 101676160 RYXJDOGPEZIOET-AGIUHOORSA-N 303.406 1.270 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 8180874 QSCPCPOLBWAGLL-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB COc1ccc(NC(=O)Cc2c(C)nc3ncnn3c2C)cn1 12563849 UGIIAVOTMWCTKF-UHFFFAOYSA-N 312.333 1.326 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)Cn1cncn1 56111262 LVXOYKGCCHOBOA-NEPJUHHUSA-N 323.397 1.230 0 40 DDAB COc1cccc(CNC(=O)NCc2nc(C3CC3)no2)c1 56341816 BJVKMXIHFSNAFH-UHFFFAOYSA-N 302.334 1.955 0 40 DDAB COC(=O)[C@@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 26160590 OFSOXMUOESNQLU-CYBMUJFWSA-N 310.781 1.751 0 40 DDAB O=C1O[C@@]23CCC[C@H]2[C@H]2[C@H]4[C@H]5[C@@H]6[C@@H]7CCC[C@]78OC(=O)[C@@]2([C@@H]58)[C@]16[C@H]43 104287809 BUGJQNBAIFDVLY-HAAIBYNASA-N 324.376 1.916 0 40 DDAB Cc1ccc(-c2noc(CN3CC[C@@H](C(N)=O)C3)n2)cc1F 48035523 FUAZIPIZPACOLV-LLVKDONJSA-N 304.325 1.491 0 40 DDAB NC(=O)c1cccnc1N1CCN(Cc2ccc(O)cc2)CC1 97104751 LLHDMLWUEXJWQM-UHFFFAOYSA-N 312.373 1.208 0 40 DDAB O[C@@H](COc1ccc(F)cc1)Cn1nnc(-c2ccccc2)n1 58179625 YGMWTTKOCIJXTC-CQSZACIVSA-N 314.320 1.919 0 40 DDAB CCNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 58161920 UPOGMDIRLGQCBV-CQSZACIVSA-N 304.390 1.830 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1c1cccs1 44892299 KMNAHYZBMBJIJW-ZDUSSCGKSA-N 309.435 1.927 0 40 DDAB CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2O1 58223585 IWFAATASWYSZBX-HUUCEWRRSA-N 316.401 1.897 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107263681 TVSRWGUZZQCMKW-HRCADAONSA-N 301.390 1.197 0 40 DDAB COCCOc1ncccc1C(=O)N(C)c1ccc(OC)nc1 58269589 WBIIRNGKMNXOSQ-UHFFFAOYSA-N 317.345 1.787 0 40 DDAB O=C(CN1CCSC1=O)Nc1nnc(-c2ccco2)s1 48230687 JKDCBQWBLIIJCM-UHFFFAOYSA-N 310.360 1.905 0 40 DDAB CN1CCO[C@@H](CNC(=O)CCOc2ccc(Cl)cc2)C1 58392829 ORJIRVCTKQWKMO-AWEZNQCLSA-N 312.797 1.556 0 40 DDAB CCCNC(=O)NC(=O)CN(C[C@@H](O)CC)c1ccccc1 58331856 KPIHLDCUJKYKAO-AWEZNQCLSA-N 307.394 1.500 0 40 DDAB CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 58394260 QBCJFUXOENESQA-ZIAGYGMSSA-N 304.390 1.678 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCCN(Cc2cccs2)CC1 48249261 VXDDJXKNHJNZTE-UHFFFAOYSA-N 319.434 1.889 0 40 DDAB C[C@@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CCO1 11499388 DAUQSKUOSQPZNR-CYBMUJFWSA-N 302.374 1.603 0 40 DDAB CNC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1 13098026 WARZFCJXKSVVKK-UHFFFAOYSA-N 309.347 1.452 0 40 DDAB O=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)NC(=O)CO2 13011699 KPCLXLXFVSYQRO-UHFFFAOYSA-N 323.312 1.401 0 40 DDAB CS(=O)(=O)c1nccn1C[C@H](O)c1ccc(F)c(F)c1 95438700 JOBUQDSEVQSJSM-NSHDSACASA-N 302.302 1.298 0 40 DDAB CC(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 49592447 JPCWWSQKAXHTAN-GFCCVEGCSA-N 300.362 1.962 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)Nc2nccc(-c3ccco3)n2)n1 13644998 OIBAVOIAZYPEIF-UHFFFAOYSA-N 313.273 1.421 0 40 DDAB O=C(c1ccc(O)cc1)N1CCN(CCOCC2CC2)CC1 85785758 NSWHCXNYUOEIBP-UHFFFAOYSA-N 304.390 1.577 0 40 DDAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F 89091559 UUIQQXUGWKUBAG-KCJUWKMLSA-N 306.790 1.885 0 40 DDAB Cc1ccc(CNC(=O)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 14049345 QPFBYKVGEBWHDL-KBPBESRZSA-N 319.405 1.430 0 40 DDAB C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N1CCc2sccc2C1 65588499 BKVMDHSAMBKKED-NWDGAFQWSA-N 321.446 1.137 0 40 DDAB O=C1CNC(=O)N1CCCC(=O)N1CCC[C@H]1c1cccs1 14183434 XDEDIEPVTSSRRU-NSHDSACASA-N 321.402 1.744 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)[C@H]1CCCO1 14221044 SZEYEKILDFFQCL-PSASIEDQSA-N 313.404 1.537 0 40 DDAB C[C@@H]1C(=O)N(CC(=O)N2CCCC2)C(=O)N1c1ccccc1 14398949 QKHVJFILMDCWSX-GFCCVEGCSA-N 301.346 1.466 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2ccc(F)c3cccnc23)C1=O 66082959 KYVBXILEKRWFRL-INIZCTEOSA-N 317.320 1.831 0 40 DDAB CC(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1 74860956 RPWZHLOTCSKJNL-UHFFFAOYSA-N 302.421 1.285 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCC(CC(N)=O)CC1)c1ccco1 89312221 TZYVOUBBKKRNPI-ZDUSSCGKSA-N 322.409 1.179 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@H](C)C(N)=O 7531859 IVDWVRINWCYPLF-GFCCVEGCSA-N 301.346 1.449 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@@H]1CN1CCCC1 68556974 KFSBATSDFSOOBM-CQSZACIVSA-N 318.425 1.158 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCO2 71829495 HLLARFRCOFYNFC-ZYHUDNBSSA-N 304.346 1.070 0 40 DDAB CC(C)[C@H](NC(=O)c1cnn[nH]1)c1nc(-c2ccccc2)no1 71839358 ATCPNBWXYVNFTO-LBPRGKRZSA-N 312.333 1.982 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)Cn2nnc3ccccc32)c1 71869747 AKVPTCSGBVGLAK-CQSZACIVSA-N 324.388 1.627 0 40 DDAB O=C(NCc1nc(C2CC2)no1)N[C@@H]1CCN(C2CCCC2)C1 71882566 ZLSXLKDQQDYBDQ-GFCCVEGCSA-N 319.409 1.763 0 40 DDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCO[C@@H]2CCC[C@@H]21 71822672 RTXSOLXIGUZAAQ-JKSUJKDBSA-N 312.373 1.590 0 40 DDAB O=C1N(CN2CCOCC2)c2ccccc2C12OCCCCO2 19999854 SDXVUNVREWIXPW-UHFFFAOYSA-N 318.373 1.303 0 40 DDAB C[C@H](NC(=O)CSCc1nc2ccccc2[nH]1)C(=O)N(C)C 71903998 ITWNODFGROKGSV-JTQLQIEISA-N 320.418 1.389 0 40 DDAB CCOCCO[C@H](C)C(=O)NCCC(=O)N1CCCC[C@@H]1C 69527439 JACORYVGLWJOGL-UONOGXRCSA-N 314.426 1.335 0 40 DDAB C[C@@H](Sc1nnnn1CC(F)(F)F)C(=O)N1CCCC1 69538424 KWSWNSOJJHFMTR-SSDOTTSWSA-N 309.317 1.338 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC2(CCCCC2)CC1 69704475 NVLHQUFTHZYGQJ-ZDUSSCGKSA-N 314.451 1.929 0 40 DDAB O=C(Nc1ncccc1I)[C@@H]1CCCO1 69812355 MWIWZJVCFPZLFO-QMMMGPOBSA-N 318.114 1.804 0 40 DDAB CN1C[C@@H](C(=O)N2CCC[C@H](CN3CCCCCC3)C2)CC1=O 69980558 QOVPFVFVCZURNA-CVEARBPZSA-N 321.465 1.579 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2ccsc2)C1=O 8777186 NSKCVECEUNNCGD-GFCCVEGCSA-N 323.418 1.673 0 40 DDAB C[C@@H](NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccccc1 8719479 OZCBEPXMJPFLPY-LLVKDONJSA-N 303.362 1.584 0 40 DDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc2nnnn2c1 95965223 ZYNCXWWLOCLBMS-QMMMGPOBSA-N 313.283 1.927 0 40 DDAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)n1 72232494 IENONFXLDIKIQY-LBPRGKRZSA-N 318.402 1.913 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H](C)n1cncn1 72234201 GVWUTHZAYMIICT-MNOVXSKESA-N 322.800 1.898 0 40 DDAB C[C@@H]1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)C[C@H](C)C1 89929916 HWXWQRPKUHMXEX-VXGBXAGGSA-N 304.456 1.887 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 20234178 ZNTAMLNNPDZFSI-YDHLFZDLSA-N 323.389 1.322 0 40 DDAB C[C@@](O)(CNS(=O)(=O)CCc1ccccc1)c1ccco1 75156309 CVTYAYKCLYNQEJ-OAHLLOKOSA-N 309.387 1.649 0 40 DDAB COCCn1cc(NC(=O)[C@@H]2C[C@@]2(C)Br)cn1 528041768 VZPHQRYLOKWGFN-GXSJLCMTSA-N 302.172 1.642 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1 31809277 VODVFVFZFKUKCK-UHFFFAOYSA-N 309.285 1.613 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@H]1[C@H](C(=O)O)C1(C)C)c1ccccc1 71281733 RYMZCSDNXOHGBH-BFHYXJOUSA-N 304.390 1.762 0 40 DDAB COC(=O)C(C)(C)NC(=O)C[C@@H](NC(C)=O)c1cccs1 32816762 IQBXZGCQVKQYPB-SNVBAGLBSA-N 312.391 1.383 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@H](Oc2cnsn2)C1 675007939 GCGGPZMXLWYNGH-LBPRGKRZSA-N 319.386 1.905 0 40 DDAB NCC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72382961 KUGDXILIFOWILG-LLVKDONJSA-N 303.391 1.904 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(Cc2cccc(F)c2)CC1 374820350 CGTTYMZKOSEZDK-UHFFFAOYSA-N 312.410 1.826 0 40 DDAB Cc1cc(C(=O)N2CCc3c(cnc4cc(C)nn34)C2)n(C)n1 218864676 XNVLAUDXKFMXMT-UHFFFAOYSA-N 310.361 1.278 0 40 DDAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218379339 AOGFQQUSRAZWPE-VNHYZAJKSA-N 311.403 1.156 0 40 DDAB COc1ccc2cc(CN3CCO[C@](C)(C(N)=O)C3)ccc2c1 72379876 MTMMIXMSVDCDER-SFHVURJKSA-N 314.385 1.925 0 40 DDAB O=C(NC[C@@H]1CN(C2CC2)CCO1)N1CCc2ccccc21 193460328 JKXWYZMXDVYLAQ-OAHLLOKOSA-N 301.390 1.622 0 40 DDAB CCC[C@@H]1c2ccccc2CCN1C(=O)CS(=O)(=O)NC 83610442 SXMCUOUHHZKZGY-CQSZACIVSA-N 310.419 1.462 0 40 DDAB CCCn1c(C)nnc1S[C@@H]1CCN(c2cnn(C)c2)C1=O 89637889 HPTKWQNARCALPN-GFCCVEGCSA-N 320.422 1.628 0 40 DDAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3ccoc3)CC2)C1 96047816 CLHJTCWGLCGYJO-OAHLLOKOSA-N 322.405 1.508 0 40 DDAB COc1ccc(-c2nnn(Cc3ccnn3C)n2)cc1OC 91558550 GODLOWHEKLCDIA-UHFFFAOYSA-N 300.322 1.139 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H](C)C(=O)O)cc1 237444461 HMLHPMNXHOETKR-AAEUAGOBSA-N 304.346 1.075 0 40 DDAB CN(C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]12 96185754 ONUGKNJEAZSHSM-CPUCHLNUSA-N 304.390 1.709 0 40 DDAB C[S@@](=O)c1ncn(CCC(=O)Nc2cccc(Cl)c2)n1 95438969 RHNQBNJHCHWHGF-FQEVSTJZSA-N 312.782 1.698 0 40 DDAB CN1CCN(CCNC(=O)c2c[nH]nc2C2CCCCC2)CC1 97097060 WNCDGARAHWUEDW-UHFFFAOYSA-N 319.453 1.435 0 40 DDAB COC(=O)c1ccc(CN(C)[C@@H]2CCN(C3CC3)C2=O)cc1 96486776 ADNOCOJTYXHFJK-OAHLLOKOSA-N 302.374 1.668 0 40 DDAB Cc1ccc(N2CC[C@H]3O[C@@H](C(=O)NC4CC4)CC[C@H]32)nn1 96065521 SCTURRBGKDRYCV-MGPQQGTHSA-N 302.378 1.190 0 40 DDAB O=C(NCC1CC1)[C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96041119 WSPUDFBCAGPNGS-MELADBBJSA-N 321.446 1.506 0 40 DDAB COc1cn(CC(=O)NC2CC2)c(CN2CCCCC2)cc1=O 96117904 LXYYZAWPNZHBOP-UHFFFAOYSA-N 319.405 1.121 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccco2)cn1 96186492 FCIBGUPTAVFRCH-CHWSQXEVSA-N 314.345 1.423 0 40 DDAB CS(=O)(=O)N1Cc2ccnn2[C@@H](CCOc2cccnc2)C1 247526275 NFSJRRFQNKLQSZ-ZDUSSCGKSA-N 322.390 1.064 0 40 DDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@H]1C(N)=O 248334766 LZFCXEPFELTJGL-CJNGLKHVSA-N 315.417 1.694 0 40 DDAB CC(=O)N1C[C@@H]2CN(Cc3ccccn3)CCN2C(C)(C)C1 253408899 YWXKTOXOURHUMX-INIZCTEOSA-N 302.422 1.209 0 40 DDAB biogenic,in-vitro CC(C)Oc1ccc([C@H]2CNCCN2CC(=O)N(C)C)cc1 257226786 FMEIKJJWYNLJLU-MRXNPFEDSA-N 305.422 1.508 0 40 DDAB Cn1ncc(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)O 573912190 ORABBGZIJBCLOY-UHFFFAOYSA-N 321.358 1.797 0 40 DDAB Cn1cncc1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 585261150 SXUHPESODHYZSV-LLVKDONJSA-N 321.406 1.016 0 40 DDAB Cc1ccnc2c1CCN2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 585142475 XBXCJLZDEBOLCE-UKRRQHHQSA-N 312.373 1.581 0 40 DDAB CN(C)c1ncccc1C(=O)NCCC(=O)Nc1cccnc1 66100002 MLTCXPGRCMDMCH-UHFFFAOYSA-N 313.361 1.301 0 40 DDAB CCNC(=O)NC(=O)CNc1ccc(Cl)cc1NC(C)=O 71879579 BKYNCXKVBGVUHI-UHFFFAOYSA-N 312.757 1.556 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1 891800259 CQUFBAYIJYXGSC-SECBINFHSA-N 323.340 1.618 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCN(c2cccc(Cl)c2)CC1 57383525 ZXNOMUVGRKBZSZ-JTQLQIEISA-N 310.785 1.045 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 106784247 XZYKWPVXMVGKQS-HUUCEWRRSA-N 302.353 1.713 0 40 DDAB COC(=O)c1ccoc1CSc1nnc(CO)n1C1CC1 89407017 VAPUBNBIUZAFPG-UHFFFAOYSA-N 309.347 1.777 0 40 DDAB Cc1cc(CNc2ncnc3[nH]cnc23)ccc1S(C)(=O)=O 89591267 OYOQHXVMSOSEJY-UHFFFAOYSA-N 317.374 1.677 0 40 DDAB Nc1noc(CCNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)n1 98016484 IJOHFYJZTLJBLD-CXAGYDPISA-N 312.373 1.605 0 40 DDAB Cc1nn(CC(=O)NCC2CC2)c(=O)c2cc3occc3n12 12115426 WWHOVMMZBKXIPE-UHFFFAOYSA-N 300.318 1.077 0 40 DDAB CCc1nc(N2CCCC2)ncc1C(=O)N[C@H]1CCCOC1 12194273 PNSJXCSPIBZFKL-LBPRGKRZSA-N 304.394 1.548 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 12238848 QQMRMYKOMHNJAE-UHFFFAOYSA-N 306.391 1.477 0 40 DDAB COc1ccc(NC(=O)c2cc(=O)c(OC)co2)cc1OC 16850773 YQBPWRIUJXUGIR-UHFFFAOYSA-N 305.286 1.918 0 40 DDAB CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)O)C2=O)cc1 16899841 FOFYADGFSAIFEH-LBPRGKRZSA-N 323.370 1.925 0 40 DDAB Nc1cc(=O)[nH]c(SCc2nnc(-c3ccccc3)o2)n1 18043167 RIVUVOVEBMLXAW-UHFFFAOYSA-N 301.331 1.694 0 40 DDAB COc1cccc(OC)c1CN1C[C@@H]2CCCN2C[C@@H]1CCO 19566979 AUGVTKHFMSHJRZ-GJZGRUSLSA-N 320.433 1.735 0 40 DDAB CCNC(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 7084290 GUDOMVKOTVOBKQ-JTQLQIEISA-N 310.350 1.490 0 40 DDAB CN1C[C@H]2CN(C(=O)c3ccccc3Cl)CC[C@@H]2OCC1=O 2037985232 CDDLQZCKDJNEAO-FZMZJTMJSA-N 322.792 1.659 0 40 DDAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CO3)on1 1615823162 IVTHFLIFICWTBA-LLVKDONJSA-N 309.366 1.009 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ncnc(C)c1C)C2 1147065171 KIZDVIVBEQKRFI-YOEHRIQHSA-N 319.405 1.751 0 40 DDAB CN1CC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)CC1=O 1565546364 ZCUNINNOJYJYLV-UHFFFAOYSA-N 322.355 1.978 0 40 DDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(Cc2cccnc2)C1 2055772068 UJZGIGZJKHNIBC-KRWDZBQOSA-N 313.405 1.358 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713781 KNDHTBFKEFEZBT-ZDUSSCGKSA-N 318.421 1.454 0 40 DDAB Fc1cncnc1N1CCCN(c2ccc3nccn3n2)CC1 2086865117 MEXGHTOTZAZGJR-UHFFFAOYSA-N 313.340 1.375 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)C(=O)NCCC2=CCCCC2)o1 49026912 FNCHAQQDDAGZRR-AWEZNQCLSA-N 320.389 1.744 0 40 DDAB Cn1nc(C(=O)N2CC[C@@H](n3cnc4ccccc43)C2)ccc1=O 575618956 YCENYTMRCWPURG-GFCCVEGCSA-N 323.356 1.217 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccn2C)cc1F 75155149 MLEGTWUENSUSBQ-CQSZACIVSA-N 319.336 1.261 0 40 DDAB Cc1noc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 30198169 PCAKGJOGAXVMFO-UHFFFAOYSA-N 318.352 1.404 0 40 DDAB Cn1c(Cl)cnc1CN1CCN(C(=O)c2ccco2)CC1 30145874 HJQDEUAKLLLJLP-UHFFFAOYSA-N 308.769 1.625 0 40 DDAB CN(CCCOc1ccccc1)S(=O)(=O)c1cnn(C)c1 40528199 DVMNBYOXWBFIHM-UHFFFAOYSA-N 309.391 1.510 0 40 DDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(C)cc2)C1 20567637 ZQWNTHGTWUOWTF-GFCCVEGCSA-N 314.389 1.818 0 40 DDAB CC12CN3CCN(CC(C3)[C@@H]1NC(=S)Nc1ccccc1)C2 20676653 ASJMMVJCMUMUDZ-GULBITTBSA-N 316.474 1.609 0 40 DDAB O=C(NCc1cccnc1)c1cc(-n2cnnn2)ccc1Cl 20717933 PGTPQEWBDNKKMO-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB O=C(Cc1cccc(O)c1)NCCNC(=O)CC1CCCC1 101676955 IYQJCLDDCAVGOV-UHFFFAOYSA-N 304.390 1.747 0 40 DDAB COCC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1 32771675 FQNWGIJFNUCGRP-NSHDSACASA-N 307.394 1.987 0 40 DDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2cccs2)CC1 32769154 CMFBCLHBZOQKEB-ZDUSSCGKSA-N 321.446 1.609 0 40 DDAB Cn1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cn1 52644178 XPYJYCWQPKVARN-UHFFFAOYSA-N 309.329 1.283 0 40 DDAB CCOC(=O)N[C@H](C(=O)NCc1nnc2ccccn12)C(C)C 32911700 OUBSVDMHSAWKCY-ZDUSSCGKSA-N 319.365 1.116 0 40 DDAB COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 32912732 BNMRTGQXYGLJBR-GZMMTYOYSA-N 315.778 1.499 0 40 DDAB [O-][n+]1onc2c1CCc1c-2nc(-c2cccc(Cl)c2)n1O 494813 CBYVZBATXINZOZ-UHFFFAOYSA-N 304.693 1.828 0 40 DDAB Cc1nc2ccccc2nc1Cn1cnc2c(cnn2C)c1=O 53049284 VODHCOHJBJRNDM-UHFFFAOYSA-N 306.329 1.430 0 40 DDAB Cn1nccc1CNC(=O)c1nc(-c2ccc(F)cc2)no1 2733131 ZCALNFAWNYTBEW-UHFFFAOYSA-N 301.281 1.539 0 40 DDAB Cc1ccc(OCC(=O)NCC(=O)n2nc(C)cc2C)cc1 186800 OYCLLPKVECCCTO-UHFFFAOYSA-N 301.346 1.644 0 40 DDAB CS(=O)(=O)c1ccccc1N1CCC[C@]2(CNC(=O)C2)C1 78569292 GVTBMUPUIKRNMA-HNNXBMFYSA-N 308.403 1.197 0 40 DDAB Cc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)c(O)c1 53556269 FHCFTSLPELCJPC-UHFFFAOYSA-N 319.382 1.904 0 40 DDAB O=C(c1cccc(-n2cnnn2)c1)N1CCc2sccc2C1 22597309 WAEQJJLLYDMMBB-UHFFFAOYSA-N 311.370 1.922 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 22843095 TYBUOLJEZDRIMQ-GFCCVEGCSA-N 301.312 1.393 0 40 DDAB C[C@H](C(N)=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 23229923 XPOSMIABWXRNCJ-GFCCVEGCSA-N 311.813 1.210 0 40 DDAB CN(CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 12545394 USJIRHKOSIOGFK-UHFFFAOYSA-N 316.382 1.968 0 40 DDAB COCCN1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1=O 108532560 UMCOUGYZDONUTK-UONOGXRCSA-N 308.422 1.520 0 40 DDAB CC(C)C(=O)NCCNC(=O)COc1ccc(F)cc1F 24751593 HFQCYYJFPKQBIZ-UHFFFAOYSA-N 300.305 1.232 0 40 DDAB C[C@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc(O)c1 3296649 YRLWHKWDKPOVLN-JQWIXIFHSA-N 315.441 1.786 0 40 DDAB COCc1cccc(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 48252871 XJAJTCLYZDPAOJ-GFCCVEGCSA-N 316.357 1.861 0 40 DDAB CC(C)[C@H](CNS(=O)(=O)c1ccccc1)N1CCOCC1 12784064 MHFAIQDBICDWDF-HNNXBMFYSA-N 312.435 1.322 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 10199685 QMWZJKFJSWPOAB-XHDPSFHLSA-N 321.421 1.818 0 40 DDAB CC[C@H](C)CS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 84721706 DTJDXHNMXRUOGO-UONOGXRCSA-N 304.456 1.016 0 40 DDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccccc2)n1 27666192 YOIMBSSVRCEOGR-UHFFFAOYSA-N 312.734 1.753 0 40 DDAB CCN(C[C@H]1CN(Cc2ccccn2)CCO1)c1cccnn1 84774659 VWHYJQFRSJCRDR-MRXNPFEDSA-N 313.405 1.599 0 40 DDAB CCCCc1noc([C@@H](C)N2CCN(C(=O)COC)CC2)n1 44950679 IJYDKAIFEPTBDF-GFCCVEGCSA-N 310.398 1.264 0 40 DDAB C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)N1CCCC1 57997230 LXPWTQFXCDJTHZ-SNVBAGLBSA-N 305.334 1.548 0 40 DDAB CCOc1ncccc1CNC(=O)CNC(=O)c1ccsc1 58330723 SFSKKTCPEVSIDH-UHFFFAOYSA-N 319.386 1.588 0 40 DDAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cncc(F)c1)C2 108532965 GCTNOJLYSMPQHB-XJKSGUPXSA-N 305.353 1.599 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(CN(C)C)ccn1 176938566 AMSPSEDSQMFDJW-AWEZNQCLSA-N 318.421 1.873 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 58818879 MRGXSRDEPMXSFV-LBPRGKRZSA-N 317.389 1.918 0 40 DDAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)[nH]c(=O)c23)C1 25315133 HVQPGIBDTGOAMQ-JTQLQIEISA-N 319.430 1.942 0 40 DDAB CC[C@H]1c2ccsc2CCN1CC(=O)N1CCNC(=O)C1 11473428 BSHBWMBHWLRHJH-LBPRGKRZSA-N 307.419 1.016 0 40 DDAB O=c1c2ccccc2nnn1CSc1nncn1C1CC1 11719314 LAPSIIMEANUDOZ-UHFFFAOYSA-N 300.347 1.468 0 40 DDAB Cc1ccc(-c2nc(CS(=O)(=O)[C@H](C)C(N)=O)cs2)cc1 46117690 LGDGVWDYTSXCOQ-SNVBAGLBSA-N 324.427 1.907 0 40 DDAB CCCNC(=O)CN(C)C(=O)CN(C)[C@@H]1CCc2ccccc21 29810743 AJQJFKXIQDGNTC-MRXNPFEDSA-N 317.433 1.590 0 40 DDAB O=C(COC(=O)c1ccccn1)NC(=O)NCc1ccccc1 3507501 AVEMPDVRKCLGMK-UHFFFAOYSA-N 313.313 1.264 0 40 DDAB Cn1cnnc1[C@H]1CCCN1C(=O)NCCc1ccsc1 95453659 POJHUPYLADQSCO-GFCCVEGCSA-N 305.407 1.966 0 40 DDAB COC(=O)c1ccccc1NC(=O)N1CSC[C@H]1C(=O)OC 4296147 XIZGXVPYZDWKHI-NSHDSACASA-N 324.358 1.553 0 40 DDAB Nn1c(SCc2ccncc2)nc2cc(F)ccc2c1=O 71327742 PWYMPUASPDGKPV-UHFFFAOYSA-N 302.334 1.937 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@H](n2cccn2)C1 65608085 DCWKKBAMOMFWMQ-AWEZNQCLSA-N 314.393 1.729 0 40 DDAB CC1CCN(C(=O)c2ccccc2CN2C(=O)CNC2=O)CC1 14277214 KEDMFISDUQIYAE-UHFFFAOYSA-N 315.373 1.611 0 40 DDAB CN1CCN(c2ccc(NC(=O)CCc3ccco3)cn2)CC1 14901435 BPBTUMSPUHTYHT-UHFFFAOYSA-N 314.389 1.998 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)NC[C@@H]1CCCO1)C(=O)[C@H](C)O2 4970786 CPKUBPXAPAWDNZ-STQMWFEESA-N 318.373 1.404 0 40 DDAB Cn1cc(N2CCC[C@@H](NC(=O)Cc3cccc(O)c3)C2)cn1 98014576 VCRHBYAEYSLMTE-CQSZACIVSA-N 314.389 1.453 0 40 DDAB O=c1ccc2cc(NS(=O)(=O)N3CCCCC3)ccc2o1 96426090 GODOOOLWQZRHLE-UHFFFAOYSA-N 308.359 1.936 0 40 DDAB O=C(Oc1ccccc1)N1CCN(C(=O)C2CCOCC2)CC1 80383549 QTLMWRKAZYOOKD-UHFFFAOYSA-N 318.373 1.756 0 40 DDAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cn1 71821386 RREIAWCJNKRUPD-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB CS(=O)(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 80942732 LCBJTSMBFWCBGZ-GFCCVEGCSA-N 308.403 1.562 0 40 DDAB O=C(NCc1ccnc(O[C@H]2CCOC2)c1)NC1CC=CC1 95980100 NXLNZUUOKMDTRZ-AWEZNQCLSA-N 303.362 1.767 0 40 DDAB Cc1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)[nH]n1 71962834 UGGDSIBRKKAWHO-UHFFFAOYSA-N 300.240 1.537 0 40 DDAB CNC(=O)c1ccc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 71904636 FUVQHNIKPITKBF-RYUDHWBXSA-N 312.435 1.300 0 40 DDAB CCC[C@H]1NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O 8429852 MNOUVDVOLFCIEL-LLVKDONJSA-N 300.318 1.957 0 40 DDAB CC(C)Cc1noc(CN2CCC[C@H](Cn3cncn3)C2)n1 69630406 YXTXAOAEHZQCIC-ZDUSSCGKSA-N 304.398 1.772 0 40 DDAB CCCc1nc(CNC[C@H]2CCc3nnc(CC)n3C2)no1 69652322 PUWQSXNVCBAOGE-LLVKDONJSA-N 304.398 1.528 0 40 DDAB Cc1ccc2nc(CN3CCC[C@@H]3Cn3cccn3)cc(=O)n2c1 69925284 HZWHSDLXJCGFGV-MRXNPFEDSA-N 323.400 1.864 0 40 DDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N1CCc2ccccc21 8748653 WEYXJKBHFAIKIG-QMMMGPOBSA-N 316.390 1.106 0 40 DDAB O=C1NCCCN1CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84136681 SXPIAITYWDXLKU-NSHDSACASA-N 319.365 1.026 0 40 DDAB CCN1CCN(c2ccc(C(=O)O[C@H]3CCOC3)cc2)CC1 97039082 YJKSTXRTDYLUOG-INIZCTEOSA-N 304.390 1.774 0 40 DDAB CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)NC)C1 97020319 HLDLZGHDPAOPFK-HZSPNIEDSA-N 311.426 1.359 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269541 DOWDFWFSNSXGCK-GLQYFDAESA-N 321.421 1.453 0 40 DDAB O=C(NCc1ccc(-n2cccn2)nc1)c1csc2cncn12 72283608 CBCSFEMTNUBCHG-UHFFFAOYSA-N 324.369 1.907 0 40 DDAB O=C(CCn1ccnc1)N1CCC[C@H]1c1noc(C2CC2)n1 72299516 SQSDNYMARQZLTP-LBPRGKRZSA-N 301.350 1.897 0 40 DDAB CNC(=O)CC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 72307241 GODMFELCRUADQS-UHFFFAOYSA-N 320.389 1.692 0 40 DDAB O=C(CN1CCn2ccnc2C1)N1CCSc2ccccc21 97201562 MGDDNYFMDNKFHR-UHFFFAOYSA-N 314.414 1.838 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 409000350 VSOAHWKCBHZRFQ-CYBMUJFWSA-N 320.345 1.077 0 40 DDAB CN(CCN1CCCC1=O)C(=O)[C@@H](O)Cc1ccccc1Cl 548121001 LDOVWLUIFWGMBJ-AWEZNQCLSA-N 324.808 1.324 0 40 DDAB Cc1c(O)nc(SCC(=O)NCCc2ccccc2)[nH]c1=O 35315929 BMDRZSJMEVQMMB-UHFFFAOYSA-N 319.386 1.235 0 40 DDAB CCc1cnc(CCNC(=O)c2c(C)c(C)nn(C)c2=O)s1 72504395 NURAKJLSQBKIOE-UHFFFAOYSA-N 320.418 1.389 0 40 DDAB NC(=O)CN1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 72367866 FVTDUAXOVYUZAZ-ZDUSSCGKSA-N 312.377 1.280 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N[C@@H](CC(=O)O)c1cccc(F)c1 72401453 YVTSUSGPMYUCMK-WCFLWFBJSA-N 323.320 1.815 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)CSCC(=O)c1ccccc1 79046983 JQDQCJYMUJZLGG-LBPRGKRZSA-N 306.387 1.079 0 40 DDAB Cc1ccc(-n2nnnc2N(C)Cc2nnc3ccccn23)cc1 79089510 ATFLZAMCFUSZJQ-UHFFFAOYSA-N 320.360 1.650 0 40 DDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1ccsc1 44977607 JHHMHQIEBMQHJN-GFCCVEGCSA-N 316.448 1.175 0 40 DDAB CCCC1(CNS(=O)(=O)N2CCC[C@@H]2C(=O)O)CCC1 564919065 PTCZDZJBGVPJPS-LLVKDONJSA-N 304.412 1.340 0 40 DDAB CCN1CCC[C@](O)(CN2CCN(c3ccccc3F)CC2)C1 46087453 BIPNZRNQBHJVQK-GOSISDBHSA-N 321.440 1.795 0 40 DDAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)O)ccc1=O 41670296 FFABVXOHEISGEN-UHFFFAOYSA-N 300.314 1.802 0 40 DDAB CC(C)C[C@H]1C(O)=NCCCN1C[C@H]1CCCS(=O)(=O)C1 328749612 BRSZUXSGJLXPPF-KGLIPLIRSA-N 316.467 1.888 0 40 DDAB O=S(=O)(CCN1CCCC1)N1CCc2c(F)cc(F)cc21 192508407 NVTZPICQCOBGFQ-UHFFFAOYSA-N 316.373 1.753 0 40 DDAB CC(C)(C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944839 IPROCAXHWUEILU-LBPRGKRZSA-N 316.398 1.721 0 40 DDAB CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc[nH]2)cc1 195326391 IRSOTVRDQSSVFQ-UHFFFAOYSA-N 307.375 1.195 0 40 DDAB CS[C@@H]1CCC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 96409446 RYBVEBUPCSTGOK-NWDGAFQWSA-N 309.435 1.801 0 40 DDAB CC(C)C[C@@]1(CO)CCCN1C(=O)NCCc1ccnn1C 191435993 LCACRPQLCOLKEY-MRXNPFEDSA-N 308.426 1.545 0 40 DDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(c3ccncn3)C1)COC2 96244014 XLHSFKRUZLLZHS-MRXNPFEDSA-N 312.377 1.011 0 40 DDAB COc1ncnc2c1CN([C@@H](C)C(=O)Nc1cc(C)no1)CC2 97201996 AHCROCVISIKYKD-JTQLQIEISA-N 317.349 1.167 0 40 DDAB COCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2C)C1 96419276 KACHNQXAZBXJQJ-OIISXLGYSA-N 302.418 1.935 0 40 DDAB CN(C)CCOC[C@@H]1CN(Cc2ccco2)Cc2nnn(C)c21 96060653 BUCYETWIBXKPGI-ZDUSSCGKSA-N 319.409 1.086 0 40 DDAB CCn1ccc(=O)nc1S[C@H]1CCN(CC(F)(F)F)C1=O 96410882 AYAOQJXGFFTVRA-QMMMGPOBSA-N 321.324 1.519 0 40 DDAB Cc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2C1 96207642 CCWNJDVDVMLWOE-FPMFFAJLSA-N 321.446 1.710 0 40 DDAB Cc1ccccc1CC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414059 UWUPXLAXMBALRY-GFCCVEGCSA-N 314.307 1.817 0 40 DDAB CC(C)Cn1cc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cn1 96192221 SEJCZOMSOUYRHJ-ZDUSSCGKSA-N 318.421 1.951 0 40 DDAB Cc1nc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)oc1C 96466065 ZTKGLCTUZQKFFH-UHFFFAOYSA-N 322.328 1.630 0 40 DDAB Cc1cc(C(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)[nH]n1 96408979 LSOBHTGVWICFMK-OAHLLOKOSA-N 303.362 1.969 0 40 DDAB CCc1onc(C)c1C(=O)NCCC(=O)Nc1cccnc1 97097233 PKSUCUIUZWXOOA-UHFFFAOYSA-N 302.334 1.699 0 40 DDAB CN[C@H]1CCN(C)C[C@H]1Cc1ccc(OC)c(OC)c1OC 242495896 GRTFZUQMANCAGR-KGLIPLIRSA-N 308.422 1.795 0 40 DDAB CC(=O)N1CCC(Cc2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 257246230 ITELLMDTCBEDPR-NSHDSACASA-N 318.377 1.623 0 40 DDAB C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1O 253370287 OSKIFUPJUNAWOJ-HYVNUMGLSA-N 319.449 1.108 0 40 DDAB COc1cccc(C[C@H]2CN(C(=O)c3cnccn3)CCO2)c1 257250410 JMKFWHSKSUWZLW-HNNXBMFYSA-N 313.357 1.569 0 40 DDAB O=C(c1cccc2c1OCCO2)N1CCOC[C@H]1c1ccn[nH]1 257228939 FVYCNNLNNAAZTM-ZDUSSCGKSA-N 315.329 1.395 0 40 DDAB Cc1nccc([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257303251 SGJWOXSVVNGLSM-CQSZACIVSA-N 308.345 1.805 0 40 DDAB CN1CCN([C@H]2CC[C@](CN)(c3ccccc3)CC[C@@H]2O)CC1 257208755 BNMITKOPOCYGTF-FHWLQOOXSA-N 317.477 1.434 0 40 DDAB OCCN1CCC(c2ccnc(Nc3cnccn3)n2)CC1 257250188 JLKVVWPUXXSONH-UHFFFAOYSA-N 300.366 1.182 0 40 DDAB C[C@@H](c1cnccn1)N1CCCN(CC(=O)N2CCCC2)CC1 276139008 OFZZZLFGELEIDO-HNNXBMFYSA-N 317.437 1.168 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCc2ncncc2C1 96122744 ADGMRPMGOZGZLL-DUXPYHPUSA-N 309.325 1.803 0 40 DDAB Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(C)(C)C)nn1 905910275 QGNVZICLGJTZSF-LBPRGKRZSA-N 311.407 1.070 0 40 DDAB O=C1CN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CCN1 585289193 FWMUBMXMTVTQOW-SQWLQELKSA-N 324.808 1.433 0 40 DDAB CCC(=O)N1CCCN(CC[S@](=O)c2ccccc2)CC1 69846966 MSYBNNKJXNBEFQ-OAQYLSRUSA-N 308.447 1.739 0 40 DDAB COc1ccccc1C[C@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 55667085 COLBXYNDCYEHRQ-GXTWGEPZSA-N 304.390 1.611 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)Nc2nncs2)ccn1 47497687 SBJHYXOKLIYCRQ-UHFFFAOYSA-N 315.362 1.749 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccnc2)C1 57315157 HQRQDBQBDFOZPK-GXTWGEPZSA-N 305.378 1.085 0 40 DDAB O=C(NCC1(N2CCOCC2)CCSCC1)c1ccoc1 1776009021 RJAMQWXHVCRFGU-UHFFFAOYSA-N 310.419 1.607 0 40 DDAB Fc1cncnc1N1CCN(c2cc(C3CCC3)ncn2)CC1 1776009121 UXYZZSXJPPTGCA-UHFFFAOYSA-N 314.368 2.000 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CC(OC[C@H]2CCOC2)C1 1565522480 ISEZDOPHMFNTPN-KGLIPLIRSA-N 305.374 1.718 0 40 DDAB OC[C@H](Cc1ccc(O)cc1)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 108057841 UNPWXFFUDYDRND-YXWQFLTLSA-N 320.458 1.948 0 40 DDAB CCCC1=NN(C(=O)C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)C1 5027604 KWMWOQZVTAZQCY-GFCCVEGCSA-N 324.299 1.967 0 40 DDAB Cc1nc2ccc(C(=O)NCCNC(=O)c3ccccn3)cc2[nH]1 12147437 BBJZEIKJDOAJME-UHFFFAOYSA-N 323.356 1.426 0 40 DDAB Nc1nnc2nc(CC(=O)c3ccc4ccccc4c3)c(O)nn12 16942967 YZVAZBFTKSIQSG-UHFFFAOYSA-N 320.312 1.386 0 40 DDAB CC(=O)O[C@H]1CCCO[C@H]1O[C@H]1OCCC[C@H]1OC(C)=O 17313536 CTCGYDFSKYEJIU-KPWCQOOUSA-N 302.323 1.139 0 40 DDAB Cn1cc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)cn1 19290661 JCCQTJDFBDDSFW-UHFFFAOYSA-N 312.373 1.535 0 40 DDAB Cc1nc(C)c(CC(=O)NCc2ccccc2Cl)c(=O)[nH]1 19937381 TTWDQDZILDBKPC-UHFFFAOYSA-N 305.765 1.899 0 40 DDAB CCS(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9036600 FOZSYKGVMKDKBV-SNVBAGLBSA-N 316.810 1.632 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1Cl 3273360 NPMTUWGBPVXNFQ-UHFFFAOYSA-N 311.725 1.181 0 40 DDAB Cc1nnc(N2CC(NC(=O)Cc3ccc(F)cc3)C2)s1 1888853547 ZHKSDNCBJQCPQI-UHFFFAOYSA-N 306.366 1.533 0 40 DDAB CCCc1ccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)cc1 244998771 KSSUYYIORIOXPC-UHFFFAOYSA-N 301.346 1.015 0 40 DDAB CNC(=O)CN1CCC(O)(COc2ccc(C)c(C)c2)CC1 2037916022 ICRCNDYDFOOFIX-UHFFFAOYSA-N 306.406 1.255 0 40 DDAB CCOC(=O)[C@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1c1ccco1 100099404 DIPDCJYOIITUED-STQMWFEESA-N 322.313 1.264 0 40 DDAB biogenic Cc1cccc(F)c1C(=O)N1CC[C@@H]2CN(C)CCO[C@@H]2C1 1565546659 CANOIIOBCFBBQK-UKRRQHHQSA-N 306.381 1.927 0 40 DDAB O=C(N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1)C1(F)CCC1 1565548372 BMIGPVKLDHFRFA-CABCVRRESA-N 319.380 1.385 0 40 DDAB O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 138759 NHRMXJPRLCFFFE-UHFFFAOYSA-N 310.107 1.078 0 40 DDAB NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015502 FYBFOIFZDKUVLE-UHFFFAOYSA-N 313.357 1.322 0 40 DDAB CCCN1CC2=C(C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2 4854683 ZVYBWUZBKPPATP-ZDUSSCGKSA-N 316.317 1.455 0 40 DDAB COCCN1CC[C@@]2(CN(C(C)=O)C[C@@H]2c2ccccc2)C1=O 2055782076 HWUPMOMGYLNAJE-AEFFLSMTSA-N 316.401 1.497 0 40 DDAB O=C(Cn1ccccc1=O)N1CC[C@]2(COc3ccccc32)C1 2055730202 KYXCDYYWGMOZFQ-GOSISDBHSA-N 310.353 1.411 0 40 DDAB Cc1cc(CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)no1 2086886945 HRKGNZZCKBCDLQ-ZDUSSCGKSA-N 313.423 1.371 0 40 DDAB C=CC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1 585292364 LCPXDSCILHVMJM-ZDUSSCGKSA-N 324.388 2.211 0 40 DDAB CCOC(=O)Nc1nc(CC(=O)NCc2ccncc2)cs1 12634745 CUSLZTYWNZUJHP-UHFFFAOYSA-N 320.374 1.965 0 40 DDAB O=C1CC2(CCN(C(=O)Cn3ccc4ccccc43)CC2)CN1 73306989 QBUFWWZFPDQGMA-UHFFFAOYSA-N 311.385 1.770 0 40 DDAB CN[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](O)[C@H]1c1cnc(C(C)C)[nH]1 2332241825 ODDRPLWEDWCYKA-CTHBEMJXSA-N 320.437 1.208 0 40 DDAB CN(Cc1ccc(Cl)s1)C(=O)CN1CSCC1=O 32678869 YQHLYTMQKKJTQX-UHFFFAOYSA-N 304.824 1.893 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)N[C@H](C)COc1ccc(F)cc1 50154874 LTWZBICWHKAIHP-GHMZBOCLSA-N 311.357 1.417 0 40 DDAB CCN(CCNS(=O)(=O)c1cnn(C)c1)c1cccc(C)c1 40105634 RFIZTURBZOJCJJ-UHFFFAOYSA-N 322.434 1.533 0 40 DDAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 81983 IMSVZLDZDYOZLL-UHFFFAOYSA-N 305.359 1.632 0 40 DDAB CN(C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 40487645 QLUWJUGCYXQHHT-UHFFFAOYSA-N 321.406 1.597 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(-n2cnnn2)cc1 31691754 OGTZJWIMDOIDFE-MRVPVSSYSA-N 315.255 1.568 0 40 DDAB C[C@H](C(=O)NCCCN1CCc2ccccc2C1)n1cncn1 40509350 PGFNDEBFYRTKTM-CQSZACIVSA-N 313.405 1.404 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)o1 40514087 DULKXXXEXGYUGU-NSHDSACASA-N 322.386 1.987 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 41132868 XSOYMIHXLDQXGB-ZDUSSCGKSA-N 302.374 1.955 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)CCc1nc2ccccc2[nH]1 32819112 ONFMCYRHBYWVOO-NSHDSACASA-N 302.378 1.526 0 40 DDAB CN(C)Cc1cccc(CNC(=O)c2ccc(C(N)=O)cc2)c1 33084300 GMZAPSIGDXRFKV-UHFFFAOYSA-N 311.385 1.777 0 40 DDAB C[C@@H]1COCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nn1 33050246 NUYSWODCQBRLDQ-HSBSLETESA-N 312.373 1.587 0 40 DDAB C[C@@H](C(=O)N[C@H](C)c1cccc2ccccc12)N(C)CC(N)=O 52831289 YVRZGMKJXMJMOV-OLZOCXBDSA-N 313.401 1.823 0 40 DDAB COc1ccc([C@@H]2NC[C@@]3(C)CN2C[C@H](C)[C@@H]3O)cc1OC 103003362 DUDNGERFGALUCI-UQCMEYCASA-N 306.406 1.625 0 40 DDAB CCn1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 2760209 IRLGERBEDQUOIJ-FPYGCLRLSA-N 320.374 1.202 0 40 DDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(F)cc1 2726219 WIDSORDKGZJZPP-UHFFFAOYSA-N 313.292 1.819 0 40 DDAB CN1C[C@@H](NC(=O)c2sccc2Br)CCC1=O 78834694 WVTOVRCYMTXYOE-ZETCQYMHSA-N 317.208 1.861 0 40 DDAB CN1CCN(Cc2ccc(CNC(=O)C3CCC3)cc2)CC1 47284841 FALRIVGTXOYYFI-UHFFFAOYSA-N 301.434 1.850 0 40 DDAB COc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 6127822 GTDHPRDKWYMRIE-UHFFFAOYSA-N 312.373 1.377 0 40 DDAB N[C@H](Cc1ccccc1I)c1nnn[nH]1 6513888 CSYSFQTWABQXFU-MRVPVSSYSA-N 315.118 1.047 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(N2CCCC2=O)cc1 7644619 FPZULYFKLMIXQZ-LLVKDONJSA-N 303.362 1.068 0 40 DDAB Cc1nc(CN2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cs1 107251956 JNXUXXHGNKASSU-ZIAGYGMSSA-N 317.418 1.565 0 40 DDAB O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)c1ccccc1 84517790 NZWWQFWWWOTBON-AWEZNQCLSA-N 311.341 1.872 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 106541039 BFTMYNDMAXSOPF-VNQJHTJGSA-N 316.401 1.298 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 106561554 CPGGLGDGANCZIS-JMSVASOKSA-N 301.346 1.616 0 40 DDAB COCCn1cc(NC(=O)NCc2cn3ccccc3n2)cn1 43476672 MKYGFFYJHIECTC-UHFFFAOYSA-N 314.349 1.499 0 40 DDAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CCOCC1 25266416 XGHAIDVDCVYFIA-UHFFFAOYSA-N 315.156 1.879 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCC(=O)NC1 47997536 DRRDYHJWYLMFQV-GFCCVEGCSA-N 304.346 1.290 0 40 DDAB CCN1C(=O)C(=O)N(Cc2noc(-c3ccc(C)cc3)n2)C1=O 26209512 WWRXNFCEHCVJTQ-UHFFFAOYSA-N 314.301 1.356 0 40 DDAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(O)cc1 20113495 SABJRAZCMVQGKK-TWMKSMIVSA-N 304.342 1.610 0 40 DDAB biogenic CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2cc(C)on2)C1 44633871 BIUVKUHSSRGBHD-DZGCQCFKSA-N 305.378 1.905 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)N1 48252504 MELLCEZVPJXQQS-LSDHHAIUSA-N 318.373 1.139 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1 48262391 VCKNRPZRDJLYFR-CQSZACIVSA-N 313.361 1.008 0 40 DDAB Cc1ccc2cc(C(=O)Nc3ccn(CC(N)=O)n3)c(C)nc2c1 58244553 ZSSKNHIHLNFPPP-UHFFFAOYSA-N 323.356 1.786 0 40 DDAB COC(=O)c1ncn(CN2CCC[C@@H]2Cc2cccc(F)c2)n1 58267526 ZQLNODNQSQUBSD-CQSZACIVSA-N 318.352 1.868 0 40 DDAB O=C(NCC[C@H]1CCCO1)c1cccc(N2CCNC2=O)c1 44974096 OGHQCAROCGMADT-CQSZACIVSA-N 303.362 1.515 0 40 DDAB COC(=O)C12[C@@H]3C4C5[C@H]1[C@H]1C[C@H]1[C@H]5C2(C(=O)OC)[C@H]4[C@@H]1C[C@H]31 104290557 RPBCQCIBCIGBRS-LQKRDGSLSA-N 300.354 1.343 0 40 DDAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1c[nH]nn1 95959862 TYLNOEHSUZYFGI-UHFFFAOYSA-N 304.697 1.438 0 40 DDAB COc1c(CN[C@@H](C)c2nnc3n2CCC3)c(C(C)C)nn1C 58391403 WESBRRDDGYUJBW-NSHDSACASA-N 318.425 1.941 0 40 DDAB C[C@H](C(N)=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58310297 IBMLGQKDFRIQSN-PWSUYJOCSA-N 318.352 1.929 0 40 DDAB COc1ccc2c(=O)c(C(=O)NCCc3ccccn3)c[nH]c2c1 58491037 VWWDELCEFYDTBZ-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB COc1ccccc1CNC(=O)CNc1ccccc1C(N)=O 10771234 ZVWZUECWUKCBGU-UHFFFAOYSA-N 313.357 1.522 0 40 DDAB CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)CC(F)(F)F 59578767 DHCMRUPPNAIREM-UHFFFAOYSA-N 309.288 1.275 0 40 DDAB CCOc1ccc(-n2c(=S)[nH]cc(CC(=O)O)c2=O)cc1 20156347 BTKVBRQEZPATKE-UHFFFAOYSA-N 306.343 1.921 0 40 DDAB C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)c1ccc(Cl)cc1Cl 36907018 HXBKCNXDYVNFRI-DXBFQKDVSA-N 303.189 1.893 0 40 DDAB O=C1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCN1 29760248 KNJPKFMDOXHVBL-UHFFFAOYSA-N 302.378 1.034 0 40 DDAB CC(=O)NCC1CCN(C(=O)c2cn3ccccc3n2)CC1 48352675 UWYSXJYHFZQGQP-UHFFFAOYSA-N 300.362 1.323 0 40 DDAB CCN(C(C)=O)c1nc(CN(C)C[C@H](C)C(=O)OC)cs1 48335965 BATOOPCWBWLUOA-JTQLQIEISA-N 313.423 1.757 0 40 DDAB COc1cc(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)ccn1 48303281 NZCJSUUSLHRFBT-OAHLLOKOSA-N 318.421 1.860 0 40 DDAB C[C@@H]1CN=C(N2CCN(CC(=O)Nc3ccccc3)CC2)S1 84715271 XMCMCKJUVWGCBQ-CYBMUJFWSA-N 318.446 1.734 0 40 DDAB COc1cccc([C@@H](CN2C(=O)CNC2=O)N2CCCC2)c1 48332640 VLLJLORNXAASOP-CQSZACIVSA-N 303.362 1.384 0 40 DDAB CC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 12810779 DPACDUPWFLMYPB-ZETCQYMHSA-N 305.739 1.122 0 40 DDAB Cc1nc(C)c([C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)s1 48731864 FTDAZZZLDNYWIN-WPRPVWTQSA-N 317.436 1.307 0 40 DDAB CCN1C(=O)[C@@](O)(CC(C)=O)c2cc(Br)ccc21 13568770 CNLRJVJNEUDQOQ-CYBMUJFWSA-N 312.163 1.982 0 40 DDAB C[C@@H](Cc1cc(NC(=O)Cn2ncn(C)c2=O)[nH]n1)C(C)(C)C 96004804 OLDGCSFSOXXMKA-JTQLQIEISA-N 320.397 1.168 0 40 DDAB COc1ccc2cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 5346220 OPIMQDFKVLIIGS-NSHDSACASA-N 322.386 1.436 0 40 DDAB CCOC(=O)CCC(=O)NC(=S)N1CCc2ccccc21 4676246 FIOIPJVXOBRNAF-UHFFFAOYSA-N 306.387 1.794 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C2 71796334 FWKJDOFGTRMMCC-OCCSQVGLSA-N 320.389 1.413 0 40 DDAB CN1CCO[C@H](CNCc2csc(-c3ccccn3)n2)C1 71857591 OTTLCCNSKPNRLE-CYBMUJFWSA-N 304.419 1.625 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)NC(C)C)ccc1OCC 408698929 TXEVUQVNGKNGRL-UHFFFAOYSA-N 314.407 1.522 0 40 DDAB CCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 8075057 FBBQNXXIKZLINR-UHFFFAOYSA-N 314.301 1.356 0 40 DDAB N[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 95972680 XMSOYJMPEOFPKX-ZETCQYMHSA-N 312.288 1.566 0 40 DDAB O=C(NC1CC1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 9606142 RSHYZDWSWRAJKN-LLVKDONJSA-N 311.428 1.858 0 40 DDAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 9699787 ZGHWOLSAGCZRIG-ZDUSSCGKSA-N 323.352 1.777 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)O)C2)cc1C 91293771 MLORAPDGBHXIBN-GFCCVEGCSA-N 313.375 1.168 0 40 DDAB O=C1CC[C@H](C(=O)N2CCn3cccc3[C@H]2c2ccccc2)CN1 95949615 NIEVKLQDIWRMEH-MAUKXSAKSA-N 323.396 1.946 0 40 DDAB O=C(CNC(=O)c1ccncc1)Nc1ccc(F)c(F)c1F 9883427 QGVGRPDKSVBDPN-UHFFFAOYSA-N 309.247 1.867 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2cc(C)on2)n1 69628438 WMWLFXNNXWZQCG-CYBMUJFWSA-N 318.381 1.294 0 40 DDAB COCCNC(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 69708899 JLMXQYUOQBUZNE-CQSZACIVSA-N 311.426 1.313 0 40 DDAB O=C(Cn1cccnc1=O)Nc1nc2cc(F)c(F)cc2s1 69738633 LXYCIUCMVCBOEG-UHFFFAOYSA-N 322.296 1.770 0 40 DDAB CNC(=O)COc1ccccc1CNCCn1cc(C)cn1 69897386 YNXQCJYHROMFQW-UHFFFAOYSA-N 302.378 1.106 0 40 DDAB CCn1ccnc1SCCN1C(=O)NC2(CCCC2)C1=O 69927439 NAZYRIFLQDJCLA-UHFFFAOYSA-N 308.407 1.860 0 40 DDAB CN(Cc1nc(C2CC2)no1)[C@H]1CCCN(c2cccnn2)C1 69925748 RHSQUWBLESDJBJ-ZDUSSCGKSA-N 314.393 1.838 0 40 DDAB COc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)N2)C(F)(F)F)cc1 97080014 FOPSWMVDHQZVIY-CMPLNLGQSA-N 316.279 1.693 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 8709014 VSDQFGDANIFRBA-QGZVFWFLSA-N 317.389 1.456 0 40 DDAB CCn1c(Cn2cnc(C(=O)OC)n2)nc2c(F)cccc21 72280957 OFMJQDSODFUOTE-UHFFFAOYSA-N 303.297 1.622 0 40 DDAB O=C1C[C@@H](Cc2ccc(NC(=O)C[C@@H]3CCCO3)cc2)C(=O)N1 72292406 SUQVONOVLCLQIT-OCCSQVGLSA-N 316.357 1.399 0 40 DDAB COc1ccc(OC)c(CCC(=O)N(C)Cc2nc(C)n[nH]2)c1 72292938 GFYHGITZEOBKAG-UHFFFAOYSA-N 318.377 1.722 0 40 DDAB CSCC[C@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 75092448 YKNZAELCACQSQT-WPRPVWTQSA-N 300.346 1.837 0 40 DDAB CS[C@@H](CO)[C@@H](C)NC(=O)c1cncc(Br)c1 89598360 SXKXZLJNYRLJKC-XCBNKYQSSA-N 319.224 1.686 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)CN(C)[C@@H]2CCSC2)C1(C)C 89917640 KVUPKQWKAUYXCR-LALPHHSUSA-N 300.468 1.744 0 40 DDAB Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CCSCC1 547694126 CGJNHPZHQLVCFJ-WFASDCNBSA-N 312.458 1.818 0 40 DDAB CC(C)c1noc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 41123170 DLEPAGGQQSISGV-NSHDSACASA-N 303.366 1.946 0 40 DDAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3)n2)cc1 67898817 LBDUHGOBZOMQGW-ZDUSSCGKSA-N 307.375 1.141 0 40 DDAB biogenic,in-vitro Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1ncccn1 535331555 GNUKETJLNISWCA-LLVKDONJSA-N 307.379 1.393 0 40 DDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@@H](O)C1CCCCC1 188299998 XZXJUVRSAYNBQP-HNNXBMFYSA-N 322.449 1.883 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccn(C)n2)o1 36700477 LFSUGDJVUVHDMX-SNVBAGLBSA-N 313.317 1.876 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)C(=O)N(C)C)s1 79310637 VDBVJFSNGSMCPQ-ZETCQYMHSA-N 306.334 1.864 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 79409998 PSECXGMJJKCXLM-OLZOCXBDSA-N 313.442 1.876 0 40 DDAB CCc1ncncc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 561527685 MFSOILNLXBJVHQ-ZDUSSCGKSA-N 302.422 1.985 0 40 DDAB COC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218544143 SVOMTJUNEIJFKV-GMXVVIOVSA-N 317.407 1.255 0 40 DDAB Cc1nc(CCC(N)=O)cc([C@@H]2CCCN2c2cnccn2)n1 72367026 QZERATJBJDMZAV-AWEZNQCLSA-N 312.377 1.334 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)S1 73118080 YKFREFGNDZMHLL-BDAKNGLRSA-N 322.261 1.816 0 40 DDAB CCCCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1 41096369 JXSANGSDUOVXGH-LBPRGKRZSA-N 301.408 1.915 0 40 DDAB Cc1cc(C)nc(NCCC(=O)N[C@@H]2CCOC(C)(C)C2)n1 85878271 VWXUWBTZKVHJRC-CYBMUJFWSA-N 306.410 1.969 0 40 DDAB biogenic O=C(Cn1cnc2c(c1=O)CCC2)N1CCC(c2ccccc2)=N1 329875417 GMIDCLYTJUDKGH-UHFFFAOYSA-N 322.368 1.369 0 40 DDAB O=C(NCc1ncc[nH]1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 81385796 JWHLFVUVOITYBL-LBPRGKRZSA-N 319.409 1.390 0 40 DDAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC(=O)NC1 96451229 HXLBFNXNTFEODZ-CMPLNLGQSA-N 310.781 1.892 0 40 DDAB Cc1cnc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1 96196947 WXBSFUPYUCKDNT-UHFFFAOYSA-N 309.377 1.289 0 40 DDAB Cn1c(CN2CCCC3(C2)OCCO3)nnc1-c1ccccc1 90562602 WXGGTFUFYJYFOE-UHFFFAOYSA-N 314.389 1.821 0 40 DDAB CC(C)[C@H]1NC(C2CCN(C(=O)OC(C)(C)C)CC2)=NNC1=O 91690045 RFFHXDVGUXCHEW-GFCCVEGCSA-N 324.425 1.691 0 40 DDAB CC[C@@H](NC(=O)c1cccc2cc[nH]c12)C(=O)N1CCOCC1 96460485 TYNVSRVQBDEFOZ-CQSZACIVSA-N 315.373 1.535 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CCCOC1)C1(N2CCOCC2)CCCC1 96449730 PITCUJGVHCDZHB-HUUCEWRRSA-N 310.438 1.563 0 40 DDAB COC[C@]12COC[C@H]1CN(C(=O)c1ccnc3ccccc13)C2 96108651 USOJVUPZBRISCD-FZKQIMNGSA-N 312.369 1.970 0 40 DDAB c1ncn(Cc2cnc3n2CCN(Cc2ccsc2)CC3)n1 96196982 BXLUMLLPFUIASC-UHFFFAOYSA-N 314.418 1.643 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1C(C)C 96054229 ITVWYGSTJHBROP-BHYGNILZSA-N 319.424 1.855 0 40 DDAB CCOC(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 98212723 GSLRVAQUFHVZLP-ZDUSSCGKSA-N 303.318 1.735 0 40 DDAB O=C(c1n[nH]c2c1CCN(Cc1ccco1)C2)N1CCOCC1 96187448 XLDNOHUHZQSWTG-UHFFFAOYSA-N 316.361 1.033 0 40 DDAB Cc1ccccc1NC(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)N(C)C)C1 96252817 BITREHJFXKXTGQ-UMVBOHGHSA-N 317.389 1.704 0 40 DDAB CCOCC(=O)NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1 96199189 RMBFKRSFVUPUAJ-LLVKDONJSA-N 322.390 1.058 0 40 DDAB CNC(=O)CN1CCC2(CCCN(C(=O)C3CCCC3)C2)CC1 96071821 MPUZZKMPEKGBBD-UHFFFAOYSA-N 321.465 1.627 0 40 DDAB O=C(Cn1nnc(-c2ccco2)n1)NC[C@H]1C[C@@H]1c1ccccc1 95394780 CMBBZSORDAXJRI-ZIAGYGMSSA-N 323.356 1.853 0 40 DDAB c1cncc(OCc2noc3c2CN([C@@H]2CCOC2)CC3)c1 96085115 UYJDSIWUQUWHAD-GFCCVEGCSA-N 301.346 1.796 0 40 DDAB O=C(c1cccnc1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058668 HYCVXMDCVGJOTK-AWEZNQCLSA-N 324.384 1.617 0 40 DDAB O=C(C1CCOCC1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 247808426 CRVHLORAJZYDKK-CABCVRRESA-N 315.373 1.214 0 40 DDAB COc1cccc2c1CCN(CCC(=O)N1CCN(C)CC1)C2 252501132 UCVQPOBWOYDRDE-UHFFFAOYSA-N 317.433 1.217 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CCO[C@H](c2ccncc2)C1 257200188 ACIFNKLTMJZPOX-HNNXBMFYSA-N 310.357 1.963 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(CC2CCOCC2)C1 257338003 YVKDCCDQAQLZDF-GFCCVEGCSA-N 313.423 1.029 0 40 DDAB CN1CCN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccccc1 257320800 VYSMAHPEFDVGFA-OAHLLOKOSA-N 301.390 1.124 0 40 DDAB O=C(Cc1ccsc1)N1CCOC[C@@H](Cc2ccncn2)C1 257216484 CURINGOBDMRITR-AWEZNQCLSA-N 317.414 1.798 0 40 DDAB O[C@@H]1CN(Cc2ncccc2F)C[C@H]1Oc1cccc(F)c1 257306280 STPQNNMPVKQEQD-HZPDHXFCSA-N 306.312 1.984 0 40 DDAB CNS(=O)(=O)c1cc(N)c(O[C@H](C)C(F)(F)F)cc1F 642882500 FAQLQGBZTCKYSG-RXMQYKEDSA-N 316.276 1.646 0 40 DDAB CC(=O)OC(C)(C)C(=O)NC[C@H](c1ccsc1)n1cccn1 575613411 HGGJEJKSBKSRBJ-CYBMUJFWSA-N 321.402 1.992 0 40 DDAB O=C(C1CN(c2cc(-c3ccccc3)ncn2)C1)N1CCOCC1 575413828 TZSGZODOHMYAOU-UHFFFAOYSA-N 324.384 1.439 0 40 DDAB CC[C@@H](C)N1CCOC[C@@]2(CC(=O)N(Cc3cncs3)C2)C1 585104936 WFQRMCUFAXYRSB-CJNGLKHVSA-N 323.462 1.993 0 40 DDAB CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](CCOC)C1 585095549 WPWYOXBDWHNPOK-AWEZNQCLSA-N 314.451 1.391 0 40 DDAB Cc1ncccc1CN1C[C@H](CC(=O)N2CCCC2)[C@@H](O)C1 585276505 PCTVBWMTCYNVKE-HOTGVXAUSA-N 303.406 1.195 0 40 DDAB COCc1c(C(=O)N2CC[C@]3(CCCO3)C(=O)C2)noc1C 585289151 MZYOLTUEWIKCMD-OAHLLOKOSA-N 308.334 1.094 0 40 DDAB Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)n1C(C)C 44719664 WLSQZZKDLPEJQC-CYBMUJFWSA-N 312.435 1.850 0 40 DDAB O=C(NC[C@H](O)c1ccc(Cl)s1)c1ccc2nncn2c1 78947374 HOUSMKHDEAMIAS-VIFPVBQESA-N 322.777 1.908 0 40 DDAB C[C@H](CSc1nc(-c2ccccn2)n[nH]1)CS(C)(=O)=O 79097724 FQIXTGPVOWPFDZ-SECBINFHSA-N 312.420 1.640 0 40 DDAB CC[C@H](C)NC(=O)CCNC(=O)c1cccc(C[S@](C)=O)c1 80431955 HUWDIHBCLWMPPV-AMXDTQDGSA-N 324.446 1.600 0 40 DDAB CC(C)[C@H](CCO)N[C@@H](C)C(=O)N1CCc2ccccc2C1 95941184 JBYNFCWDFUORGV-YOEHRIQHSA-N 304.434 1.956 0 40 DDAB CO[C@@]1(CNC(=O)[C@@H]2COc3ccccc3O2)CCSC1 96097584 YOKFWNZHJNXOSW-DZGCQCFKSA-N 309.387 1.465 0 40 DDAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCOCC1 40513678 IYRGZDJHDQFDPM-LLVKDONJSA-N 310.785 1.205 0 40 DDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 35670819 FVHDXGWYHAEIMD-UHFFFAOYSA-N 307.755 1.353 0 40 DDAB Oc1nc(-c2cnccn2)nc2c1CN(C[C@H]1CCOC1)CC2 13268147 HHWDUTZSWZNFMI-LLVKDONJSA-N 313.361 1.034 0 40 DDAB COc1ccc(-c2c(C)nn3c(=O)c(CCO)c(C)[nH]c23)cc1 14163614 VGPWHNDMIZMOOG-UHFFFAOYSA-N 313.357 1.850 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 16552163 CLIWOKSOYWCYRK-CRWXNKLISA-N 305.330 1.820 0 40 DDAB Cn1cc([C@@H]2CCCCCN2S(=O)(=O)N2CCCC2)cn1 19290612 GTUURURECFUSST-AWEZNQCLSA-N 312.439 1.678 0 40 DDAB CC[C@H](NC(=O)c1cc(=O)[nH]c(C)n1)c1ccc(OC)cc1 19500504 RIXZWGDLSSMZIX-ZDUSSCGKSA-N 301.346 1.968 0 40 DDAB O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1Cl 105090452 BOHPXZZZEFUBBM-NXEZZACHSA-N 304.733 1.936 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)c1 4279949 MRZUABADIXSOLV-ZIAGYGMSSA-N 306.362 1.545 0 40 DDAB CCOc1ccc(CCNc2cn[nH]c(=O)n2)cc1OCC 12202238 KFAKPHXITNWRSO-UHFFFAOYSA-N 304.350 1.617 0 40 DDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1076139807 UKKVBYIFBWDJTI-FIDHJVLJSA-N 313.401 1.007 0 40 DDAB CNC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 4341614 BKJASDHJJMZSSL-UHFFFAOYSA-N 317.349 1.793 0 40 DDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1ccc2ccccc2c1 5258892 XGSOJHFXQLOTSQ-OAHLLOKOSA-N 316.357 1.594 0 40 DDAB Cn1c(=O)c2c(N3CCc4ccccc4C3)ccnc2n(C)c1=O 24000014 JDAUKGCALWROEX-UHFFFAOYSA-N 322.368 1.195 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40466698 JIMZOOMPRLHZSX-ZYHUDNBSSA-N 315.366 1.239 0 40 DDAB CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCOc2ccccc21 40540770 APLBNJBUBZREFB-CYBMUJFWSA-N 311.403 1.697 0 40 DDAB CCOC(=O)N1CCN(CCC(=O)Nc2cc(C)on2)CC1 20506587 RRRYOJODNKLXLL-UHFFFAOYSA-N 310.354 1.086 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 32770966 PIGQCUOPWCVUOC-UHFFFAOYSA-N 310.419 1.159 0 40 DDAB CCCCN(CC(N)=O)CC(=O)N[C@@H](C)c1ccc(F)cc1 32927236 RKPDZFQMVNAVHB-LBPRGKRZSA-N 309.385 1.590 0 40 DDAB Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)c(C)n1C(C)C 52743127 WYZFXWXZNKKBTI-UHFFFAOYSA-N 321.421 1.698 0 40 DDAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 41328982 UQERFKCYXWOGND-INIZCTEOSA-N 321.396 1.243 0 40 DDAB Cc1n[nH]c(=O)nc1Nc1c(C)n(C)n(-c2ccccc2)c1=O 114457 VNWLZZYMDNEVKR-UHFFFAOYSA-N 312.333 1.015 0 40 DDAB COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@H]1OC 404160 OMLDMGPCWMBPAN-YPMHNXCESA-N 313.785 1.038 0 40 DDAB world O=C(Cn1nnc(-c2cccnc2)n1)NCc1ccc(F)cc1 415082 YAKOIMUVWCYZMQ-UHFFFAOYSA-N 312.308 1.191 0 40 DDAB CN1N[C@H](c2cccs2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 19171857 JKAGYUJTJJTIEJ-MGPQQGTHSA-N 319.430 1.926 0 40 DDAB O=C(Nc1ccnc2ccnn12)c1cc(=O)[nH]c2ccccc12 76641278 ICDIBYDFADRIEY-UHFFFAOYSA-N 305.297 1.823 0 40 DDAB O=C(C1CCN(Cc2noc(C3CC3)n2)CC1)N1CCOCC1 53606976 DLVRZXHGTYJGPU-UHFFFAOYSA-N 320.393 1.018 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cnn(C)c1-n1cccc1 79476666 HRIKXLQVTCNEAJ-ZDUSSCGKSA-N 318.377 1.528 0 40 DDAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccco1 2933392 DBSLKYIHPYBDLA-UHFFFAOYSA-N 300.314 1.712 0 40 DDAB COc1ccc(-c2nc(CN3CCCS3(=O)=O)co2)cc1 54205304 QIOHIQDAWNEFMT-UHFFFAOYSA-N 308.359 1.886 0 40 DDAB CCOC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 4510391 GVUPVDNDOHDPRM-LBPRGKRZSA-N 304.346 1.027 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)C(C)C 6432291 MZLSXDXRTFGYQK-GDBMZVCRSA-N 321.421 1.693 0 40 DDAB O=S(=O)(C1CC1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108534996 KFDMBKNIZSDUAZ-UHFFFAOYSA-N 322.434 1.625 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c(C)c1 8496738 HLRNMMCIRJAZRM-INIZCTEOSA-N 320.433 1.909 0 40 DDAB COc1cccc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O)c1 8700644 RUDMMKYSHSMJOY-VXGBXAGGSA-N 311.334 1.707 0 40 DDAB Cc1nn(C)c2ncc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cc12 24200306 QQSDGGLJECSCEW-CQSZACIVSA-N 324.340 1.660 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(C)C 24817901 FTAZYIWZUZURNL-RDJZCZTQSA-N 317.433 1.790 0 40 DDAB Cc1cc(N2CC[C@@H](N(C)CCc3ccncc3)C2=O)n(C)n1 97051107 CUTDWMVYBWUHPJ-OAHLLOKOSA-N 313.405 1.403 0 40 DDAB c1coc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 107746699 SVRFHZLKGGAPMV-ZFWWWQNUSA-N 300.362 1.407 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccco2)o1 25301186 JUGASOWMOILLPM-VIFPVBQESA-N 312.347 1.142 0 40 DDAB Cc1ccoc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 25318635 GNWHSRMSYRQBRD-UHFFFAOYSA-N 308.359 1.208 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 56877305 OHVSTHFCXPEIOL-JTQLQIEISA-N 318.764 1.473 0 40 DDAB CNC(=O)NC(=O)CN(C)Cc1cccc(Cl)c1Cl 57363677 MQSRGKJRAKLOFS-UHFFFAOYSA-N 304.177 1.881 0 40 DDAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 57416773 CAVJJDKPVPMTBB-UHFFFAOYSA-N 311.385 1.954 0 40 DDAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCC(=O)N(C)C 57543712 KXROGKOQNQGVNJ-UHFFFAOYSA-N 318.377 1.553 0 40 DDAB CCNc1c(NC(=O)NCCOC)c(=O)oc2ccccc12 101096019 LHIKOYBWVSCZRB-UHFFFAOYSA-N 305.334 1.993 0 40 DDAB Cc1cccc(N2CCN(CCC(=O)NC(N)=O)CC2)c1C 57943103 ZJSSJRMPTAKNHY-UHFFFAOYSA-N 304.394 1.010 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](c2ccccc2)C1 36076037 MZXBLVWCXQICRI-CQSZACIVSA-N 321.402 1.789 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 10270054 FPVAMFZTPFCBBZ-UHFFFAOYSA-N 316.386 1.204 0 40 DDAB NC(=O)Cn1ccc(NC(=O)CCOc2cccc(Cl)c2)n1 58224681 PUWNBNLGYBPYBN-UHFFFAOYSA-N 322.752 1.429 0 40 DDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1c1ccsc1 44977604 JHHMHQIEBMQHJN-LBPRGKRZSA-N 316.448 1.175 0 40 DDAB CN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 55745578 ZFQAVKSITRJVPX-LLVKDONJSA-N 314.382 1.460 0 40 DDAB Cc1cccc(OC[C@H](O)CNC(=O)Nc2cc(C)on2)c1 58342643 UYOIZLGOPKLPSZ-GFCCVEGCSA-N 305.334 1.853 0 40 DDAB Cc1cccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1C 72287339 QWLSYGQOXARTLJ-HNNXBMFYSA-N 312.373 1.572 0 40 DDAB Cc1cnc(CN(C)[C@H]2CCN(CCCc3cnn(C)c3)C2)o1 84258866 RDRDNUXNFDPUAQ-INIZCTEOSA-N 317.437 1.855 0 40 DDAB CC(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC2CC2)o1 36392809 MZVWAMQGAPKQNH-SECBINFHSA-N 300.380 1.495 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(-c2nccn2C)nn1C 97113549 XAOVWJWMOGHHCX-UHFFFAOYSA-N 314.353 1.805 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C(N)=O)c1ccccc1 45340673 OAZHDWJOALHTLH-NHYWBVRUSA-N 316.332 1.936 0 40 DDAB COC(=O)C[C@@H]1CSCCN1Cc1cn2ccsc2n1 178144272 SQILYVNERICMCP-LLVKDONJSA-N 311.432 1.876 0 40 DDAB COc1ccccc1N1CCN(C(=S)NCCN(C)C)CC1 3305336 IZIXPLHYBWICKA-UHFFFAOYSA-N 322.478 1.253 0 40 DDAB O=C(O)CCNS(=O)(=O)c1ccccc1Br 3355928 ZEWPLGSMFCYFBR-UHFFFAOYSA-N 308.153 1.202 0 40 DDAB CCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 2634471 ABJMFCPZVOEMSW-UHFFFAOYSA-N 307.331 1.694 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 2659095 FJBUPVAQVNTGGH-UHFFFAOYSA-N 319.283 1.491 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COc1ncnc2sccc12 3598955 RTNZWTBWIZDBSO-UHFFFAOYSA-N 308.363 1.694 0 40 DDAB C[C@]1(NC(=O)c2ccc3ncsc3c2)CCS(=O)(=O)C1 12999541 CXUJOTIJQCMHKN-ZDUSSCGKSA-N 310.400 1.603 0 40 DDAB COc1cccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c1 12992272 ITOOZBSKYXRXJG-LLVKDONJSA-N 316.409 1.721 0 40 DDAB O=C(O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 13267574 PBJPZEUMAHZSNN-UHFFFAOYSA-N 301.339 1.892 0 40 DDAB O=C(C1CC1)N1CCC(NCc2cccc3c2OCCO3)CC1 49772114 ZLHUCVAHRBHKKK-UHFFFAOYSA-N 316.401 1.948 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1CCCCC1 5110288 QQRLMQQNKHEZPH-UHFFFAOYSA-N 304.346 1.594 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 65474642 YMWVMSQOZIIIHC-RULNRJAQSA-N 322.792 1.756 0 40 DDAB O=C1CN(C(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCN1 65520095 AVRVDQZQVCTDMC-AWEZNQCLSA-N 321.808 1.435 0 40 DDAB Cc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1CCO 6670339 WQDLQCQDVJVUJL-CQSZACIVSA-N 301.298 1.114 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)Nc3nccs3)nc2n1 24764937 ZLZUEYKPJFFBGC-UHFFFAOYSA-N 320.403 1.928 0 40 DDAB Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c(C)c1 24777468 CKPZPZCQTLGHBH-UHFFFAOYSA-N 310.419 1.411 0 40 DDAB Cc1nc(CSc2nnc(C3CCOCC3)n2N)cs1 72302582 OYYIVFNMNZQGTA-UHFFFAOYSA-N 311.436 1.943 0 40 DDAB O=C(C[C@H]1CCCO1)N1CCN(C(=O)Oc2ccccc2)CC1 80383694 BKAOCCOAOHUDCO-OAHLLOKOSA-N 318.373 1.899 0 40 DDAB Cc1c(C)n(CCN(C)C)c2ncn(Cc3ccncc3)c(=N)c12 9421949 SQHQOBKYQPPQMM-UHFFFAOYSA-N 324.432 1.939 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)NCCOc1ncccc1Cl 84019492 ZSBXCDTUZVSNQB-UHFFFAOYSA-N 323.784 1.953 0 40 DDAB Cn1c(C(=O)NCc2ccnc(OCC(F)F)c2)cccc1=O 91085841 GFWNNYGXBDWSDH-UHFFFAOYSA-N 323.299 1.354 0 40 DDAB COc1ccc(CC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 16510357 QOSBSQALAJRSGT-UHFFFAOYSA-N 300.358 1.859 0 40 DDAB O=S(=O)(CCCF)N1CCC(COc2ccccn2)CC1 96461178 KNTHRXFQMJPAIU-UHFFFAOYSA-N 316.398 1.862 0 40 DDAB COCC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 69327864 KNYWSUGJZWPDFH-UHFFFAOYSA-N 322.380 1.421 0 40 DDAB Cc1cc([C@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)n[nH]1 84111305 MSUXANOHJCBKRM-LBPRGKRZSA-N 312.377 1.434 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN2CCCC[C@@H]2C1 71839746 XLCDHIYTBOGLTG-CYBMUJFWSA-N 314.389 1.026 0 40 DDAB COc1ccc(OC)c(CNC[C@H]2CN(C3CC3)CCO2)c1 69667771 CALKSFFNPQCLMC-INIZCTEOSA-N 306.406 1.657 0 40 DDAB C[C@H](OCC1CC1)C(=O)N1CCCN(Cc2cscn2)CC1 69699308 GVDVHEVCDLDAMO-ZDUSSCGKSA-N 323.462 1.993 0 40 DDAB CC(C)c1noc(CN2CCN(C(=O)c3cnsn3)CC2)n1 71839632 LZLAFPKFNXDAIM-UHFFFAOYSA-N 322.394 1.003 0 40 DDAB Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 71856619 YWKLNGWGLXIPCJ-OLZOCXBDSA-N 309.435 1.719 0 40 DDAB CC(C)c1nn(C)cc1CNCCCN1CCC(C(N)=O)CC1 71809779 IGBLEEFRSCVRKN-UHFFFAOYSA-N 321.469 1.221 0 40 DDAB O=C(CCNc1ncccn1)N1CCC[C@@H]1Cn1cccn1 71866530 WSFMTSOUPKVKKW-CYBMUJFWSA-N 300.366 1.166 0 40 DDAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(CC(N)=O)CC2)C1(C)C 71829342 PPOHPKRLXJBFEE-UKRRQHHQSA-N 307.438 1.244 0 40 DDAB CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 69819065 VOXCJKWGQKAFNW-CHWSQXEVSA-N 323.437 1.138 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 69811717 YHWNQEJBDGVCDY-GVDBMIGSSA-N 317.433 1.754 0 40 DDAB CC(C)c1nc(CN(C)CC2CCN(C[C@@H](C)O)CC2)no1 69947327 REVYGFPZWYLNKH-CYBMUJFWSA-N 310.442 1.718 0 40 DDAB CC[C@@H]1CN(c2ncnc3sccc23)CCN1C[C@@H](C)O 71859505 YMTBFYTVMHPFSL-VXGBXAGGSA-N 306.435 1.973 0 40 DDAB Cc1nnc(S[C@H]2CCN(c3ccccc3Cl)C2=O)n1N 71893892 ABZSZRAULDZKQR-NSHDSACASA-N 323.809 1.851 0 40 DDAB NC(=O)[C@H]1CN(Cc2ccccc2Oc2cccnc2)CCO1 84504708 DYKPRJSYEJIULE-MRXNPFEDSA-N 313.357 1.560 0 40 DDAB CN(CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 95435434 KNBIXKXXWAEINC-UHFFFAOYSA-N 310.423 1.338 0 40 DDAB COC(=O)c1ncn(CC(=O)c2ccc(F)cc2)c1C(=O)OC 98211162 RHXZJEYIXXQOBZ-UHFFFAOYSA-N 320.276 1.478 0 40 DDAB CN1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3)C2)CC1=O 95948253 BFVFMPWEPCFGIU-GJZGRUSLSA-N 302.374 1.455 0 40 DDAB O=C(N[C@H]1C=CCCC1)N[C@H]1CS(=O)(=O)c2ccccc21 95941499 SFAOXALCVNRDDA-AAEUAGOBSA-N 306.387 1.923 0 40 DDAB Cn1ccnc1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 89662209 OJEQLCQMZAZWKR-LBPRGKRZSA-N 322.409 1.940 0 40 DDAB C[C@H]1CN(C)CCN1CC(=O)NCCc1c(F)cccc1F 89939040 AKWXMGITHBGCBH-LBPRGKRZSA-N 311.376 1.259 0 40 DDAB COCc1nc(C(=O)N2CCC[C@H]2c2noc(C)n2)cs1 76046524 XUZJCVRDZKYYOI-JTQLQIEISA-N 308.363 1.958 0 40 DDAB Cn1cc(CN2C[C@H]3c4ncc(-c5ccncc5)n4C[C@H]3C2)cn1 306128946 HOZAMRQCIZVJAQ-HZPDHXFCSA-N 320.400 1.908 0 40 DDAB C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)N=c1cc2ccccn2[nH]1 554534260 OIYLEVMEUSMBDJ-HIFRSBDPSA-N 313.405 1.847 0 40 DDAB CC(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1 3852324 LIHUGFNJDOYCSB-LSDHHAIUSA-N 310.419 1.721 0 40 DDAB biogenic COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)cc2)C1=O 409107437 PSXZXNVZUOCSJV-XAPLUZPNSA-N 307.327 1.990 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1(C)C 73270205 JXFGYAZDZWPCNP-KNHMANMVSA-N 308.378 1.718 0 40 DDAB CCO[C@H]1C[C@](O)(CNCc2cnc3ccccn23)C1(C)C 188926626 QPMFPAXKHMCZNX-YOEHRIQHSA-N 303.406 1.990 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@@H](Oc2cnsn2)C1 675007938 GCGGPZMXLWYNGH-GFCCVEGCSA-N 319.386 1.905 0 40 DDAB O=C(O)c1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)c1 566223731 KZPOVZLEPSUPER-LBPRGKRZSA-N 301.302 1.634 0 40 DDAB O=C(NCC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 77193416 WDDNCDBUWOMKHP-UHFFFAOYSA-N 303.280 1.977 0 40 DDAB CNCCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 77287170 IREINZNGILEJRP-UHFFFAOYSA-N 321.446 1.855 0 40 DDAB world CN(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392879 QNMSPXSGYNATLX-CABCVRRESA-N 319.405 1.641 0 40 DDAB O=S(=O)(C[C@H]1CCCCO1)Nc1cnn(CC(F)F)c1 76937748 VTQFICULJSRGSS-SNVBAGLBSA-N 309.338 1.459 0 40 DDAB O=C(NCC[C@@H](O)c1ccco1)[C@H]1COc2ccccc2O1 77110967 BRTYRKAZNMYKLG-IAQYHMDHSA-N 303.314 1.659 0 40 DDAB CCc1nc(CC(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)cs1 78888693 XCNNBPIKZSRKDM-NSHDSACASA-N 321.406 1.275 0 40 DDAB CCn1cc(NC(=O)[C@H](C)n2cc3c(n2)c(C)nn3C)cn1 40715041 TZOTZXLSKRKXPO-JTQLQIEISA-N 301.354 1.494 0 40 DDAB CC(=O)c1ccc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc1 40386600 CIESDNISWQWAQY-LLVKDONJSA-N 313.317 1.078 0 40 DDAB CCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 46089283 UDKRCAIHUSTKPY-UHFFFAOYSA-N 312.391 1.875 0 40 DDAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCO 222824955 TUGOLEXBYGKJLU-LLVKDONJSA-N 312.797 1.576 0 40 DDAB CCCCCS(=O)(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 195562774 TUYVMXCSFRCBNS-CQSZACIVSA-N 315.439 1.488 0 40 DDAB COCc1ccccc1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)O)C1 574808897 IQIVNLIMWDQZNS-BETUJISGSA-N 313.375 1.116 0 40 DDAB c1coc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)c1 96052374 VTZGTOGKKPKCKX-IAGOWNOFSA-N 317.389 1.926 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 96245551 GVNIZJWLNKNPGT-IRXDYDNUSA-N 323.396 1.991 0 40 DDAB CCn1cc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cn1 95447444 UWEDAWQEDSSRGZ-UHFFFAOYSA-N 319.346 1.754 0 40 DDAB CC(C)[C@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1ccccn1 96440630 GAWJAJIIDQYCRO-GJZGRUSLSA-N 317.393 1.545 0 40 DDAB CC(=O)N1CCC[C@@]2(CC(C(=O)Nc3ccncc3)=NO2)C1 96268187 ADHDBWHLEXHOSU-OAHLLOKOSA-N 302.334 1.178 0 40 DDAB COc1cc(OC)cc(N2CC[C@H](NCc3nccn3C)C2)c1 96449350 MQFNFPVMNNYLHK-ZDUSSCGKSA-N 316.405 1.806 0 40 DDAB NC(=O)CCNC(=O)CCc1cc(F)ccc1Br 97372348 CQDSXRAHWPUPAI-UHFFFAOYSA-N 317.158 1.512 0 40 DDAB 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DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21 257273663 NHQDEQWKFPZWGZ-VNHYZAJKSA-N 324.388 1.254 0 40 DDAB Cc1cc(NC(=O)CCn2cncn2)n(Cc2ccccc2)n1 69519808 DSHQPJMOIXCHRA-UHFFFAOYSA-N 310.361 1.860 0 40 DDAB COc1ccccc1[C@H]1CN(C(=O)C2CCNCC2)CCN1C 257307657 SZRWOCMSWOROAW-MRXNPFEDSA-N 317.433 1.510 0 40 DDAB NC(=O)CN1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257295337 QXXSTEMBCCFSIC-SUMWQHHRSA-N 319.380 1.139 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCC(=O)O)C2)c1 585269532 YCMRKDQCOLEEOR-MRXNPFEDSA-N 307.346 1.202 0 40 DDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)Nc2c(C)n[nH]c2C)C1 1548950515 YZVYADKBDMWPIW-VXGBXAGGSA-N 318.381 1.150 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2sccc2Br)C1 44948852 FXABJKIPSUWWMT-ZETCQYMHSA-N 317.208 1.848 0 40 DDAB Cc1cc(C(=O)N2CCC(COc3ncccn3)CC2)n(C)n1 1775996145 XIMFZSIWBXKZIH-UHFFFAOYSA-N 315.377 1.450 0 40 DDAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 72235060 WPOUDEYQHSCZNG-INIZCTEOSA-N 313.405 1.817 0 40 DDAB O=C(c1ccncc1F)N1CCC[C@H](COc2ncccn2)C1 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COc1ccc(C(=O)C2CCN([C@H]3CCOC3=O)CC2)cc1 14327406 WKVPIFXQTZAHJW-HNNXBMFYSA-N 303.358 1.905 0 40 DDAB CCCc1nc2n(n1)[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 17052407 GILHAPYQQBUHEE-GFCCVEGCSA-N 313.361 1.430 0 40 DDAB O=C(NCc1cc(=O)[nH]c(-c2ccccn2)n1)c1cccnc1 19402962 YWLCVFSMXCDFRX-UHFFFAOYSA-N 307.313 1.157 0 40 DDAB CC(C)(C)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3436197 YOFMFVDGCUSSTN-FNORWQNLSA-N 305.330 1.886 0 40 DDAB CCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 4504506 OBQIUEJNSLPSOJ-LLVKDONJSA-N 311.359 1.065 0 40 DDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 16899887 HZLJDYKIDHESCU-LLVKDONJSA-N 311.334 1.754 0 40 DDAB CCOCC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575607265 YSGVVVQARYJONR-UHFFFAOYSA-N 318.299 1.181 0 40 DDAB CC(C)c1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4504801 HDUUCWYRRMZHCE-ZDUSSCGKSA-N 311.403 1.492 0 40 DDAB NC(=O)[C@@]1(F)CCN(c2ncnc(-c3ccccc3)c2F)C1 1888850069 DGNVAJVRKYTNGG-OAHLLOKOSA-N 304.300 1.686 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@H]1COc2ccccc2O1 23393708 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Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccn(C)c(=O)c2)n1 40541191 YTSNUDXFVRUWMZ-LLVKDONJSA-N 302.378 1.265 0 40 DDAB O=S(=O)(NCCCn1cccn1)c1ccc(F)c(F)c1F 40504584 XBHZVWKFRFGYGI-UHFFFAOYSA-N 319.308 1.669 0 40 DDAB Cc1[nH]c2ccc(C(=O)NCCN3CCOCC3)cc2c1C 20583744 DCJKJXAFXYOWLL-UHFFFAOYSA-N 301.390 1.847 0 40 DDAB CC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(C)cc23)CC1 32073657 QVAFOZXZXYOEPS-MRXNPFEDSA-N 315.373 1.766 0 40 DDAB Cc1cc(NN)nc(NS(=O)(=O)c2ccccc2Cl)n1 270493 YJEPXNBEFVZZQI-UHFFFAOYSA-N 313.770 1.525 0 40 DDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 101497872 APBMGWJHCNYEHN-DZGCQCFKSA-N 324.340 1.017 0 40 DDAB CCc1ccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 21366682 DFCKKYWNRHEEAG-LBPRGKRZSA-N 313.357 1.121 0 40 DDAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1Cl 102542792 MGURCIRDLGQAPO-VDUILEQBSA-N 316.744 1.792 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1 102747728 HALOZQMSXJUWAU-IMIFBBOLSA-N 319.405 1.956 0 40 DDAB O=C(NC[C@H]1CCOC1)c1ccc(=O)n(Cc2ccccc2)n1 41370509 KMGYMWMRKUUHMJ-CQSZACIVSA-N 313.357 1.058 0 40 DDAB Cc1nnc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1C 53230327 FJPMRAPUPGCODK-UHFFFAOYSA-N 322.800 1.063 0 40 DDAB C[C@H](NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cccnc1 92738418 KERQVAZAWJABMB-UAGQMJEPSA-N 305.422 1.470 0 40 DDAB Nc1ccccc1-c1nnn(CC(=O)NC2CCCCC2)n1 414503 XUWONYILJYJLJR-UHFFFAOYSA-N 300.366 1.371 0 40 DDAB C[C@@H](c1ccc(NC(=O)N2CCOCC2)cc1)N1CCOCC1 78600316 HTISROBIPZBKTQ-AWEZNQCLSA-N 319.405 1.944 0 40 DDAB CC(C)C[C@H](N[C@@H](c1ccccc1)P(=O)(O)O)C(=O)O 1590384 CZFVOVQMWGYAFW-NWDGAFQWSA-N 301.279 1.952 0 40 DDAB COCCn1nc(C(=O)N[C@@H](C)c2cccs2)ccc1=O 22504772 SZAQRDMVVQVREO-JTQLQIEISA-N 307.375 1.442 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCSCC1 104102384 HTLQIHBFIQAWEU-CHWSQXEVSA-N 324.446 1.564 0 40 DDAB CCN(C)C[C@@H]1CCN(C(=O)Nc2cnn(CCOC)c2)C1 72304813 MYSFTVSJORWMQS-ZDUSSCGKSA-N 309.414 1.335 0 40 DDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1CCc2ccccc21 6533321 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O=C(NC1CCC(O)CC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 78998435 YQGCTRMBEJZMTE-FJBKBRRZSA-N 322.449 1.835 0 40 DDAB Cc1nn(C)c(N)c1[C@H]1CC(=O)N(c2ccccc2F)C1=O 72401796 JJJHLELGHYROSS-SECBINFHSA-N 302.309 1.497 0 40 DDAB O=C(C1CCCCC1)N1CCN(c2ncnc3[nH]cnc23)CC1 30819309 HLJQTJJNCAZFSW-UHFFFAOYSA-N 314.393 1.582 0 40 DDAB CNC(=O)[C@@H]1CCCN1Cc1nc(Cc2ccccc2)no1 79071279 VFCKHXKKCXIYPA-ZDUSSCGKSA-N 300.362 1.371 0 40 DDAB COC(=O)[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(C)C 8756096 LNEOPLNLUHIYKC-CQSZACIVSA-N 302.330 1.456 0 40 DDAB biogenic Cc1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1C 72782102 LDWJQJWQYFJEIC-UHFFFAOYSA-N 303.450 1.600 0 40 DDAB CCOC(=O)c1cc(N)ccc1N1CCC(C(=O)OC)CC1 216932060 UWEMAJBBTIOBDD-UHFFFAOYSA-N 306.362 1.835 0 40 DDAB C[C@@H](CNCC1CN(S(C)(=O)=O)C1)c1cccc(Cl)c1 188591559 AGUZDESUVKBNNI-NSHDSACASA-N 316.854 1.925 0 40 DDAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1 38771520 BLSDJMCVEVEBJQ-AWEZNQCLSA-N 308.353 1.707 0 40 DDAB O=C(CC[C@H]1CCCO1)Nc1cccc2c(=O)[nH]nc(O)c12 78914792 PMBLAVJQJWYWOM-SECBINFHSA-N 303.318 1.526 0 40 DDAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC 217408512 NSDZFJUGHKBALL-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C)o1 45896167 YNUOLOBQTUVXFB-LBPRGKRZSA-N 319.321 1.053 0 40 DDAB CCn1cc(NC(=O)c2cc(NC(=O)C(C)C)n(C)n2)cn1 46089003 JJLLUFJEGXWCDB-UHFFFAOYSA-N 304.354 1.483 0 40 DDAB CCN(CC)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72238387 ZDXFUTHKOXVSFW-HNNXBMFYSA-N 321.421 1.619 0 40 DDAB Cc1cccn2cc(CS(=O)(=O)Cc3ccnn3C)nc12 194403360 XNQLFIJMWKSAPA-UHFFFAOYSA-N 304.375 1.491 0 40 DDAB Cc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 193982425 QMFXFRXWEQOKFW-LBPRGKRZSA-N 302.827 1.772 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1c1ccc(F)cc1 46088763 WIPCCKQZGMDGFC-UHFFFAOYSA-N 314.320 1.613 0 40 DDAB Cc1noc([C@H](C)N(C)C(=O)CCNC(=O)c2cccs2)n1 572253916 FMBQABBQXQHCCH-VIFPVBQESA-N 322.390 1.779 0 40 DDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cccc3[nH]ccc13)CC2 225788384 HOLSVOLMEKZHKQ-LBPRGKRZSA-N 322.368 1.549 0 40 DDAB COc1ccc2c(c1)OCCN(C(=O)CCc1nc[nH]n1)C2 328687506 HBZNOMOYDKOKCE-UHFFFAOYSA-N 302.334 1.167 0 40 DDAB COc1ccc2cc(C(=O)N[C@@H]3C[C@@H](O)[C@@H](CO)C3)[nH]c2c1 85469412 XICDKRNFKQVDSP-JRPNMDOOSA-N 304.346 1.038 0 40 DDAB NC[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 332098179 CJZDUGYIBVDDER-GXTWGEPZSA-N 321.400 1.180 0 40 DDAB CC(C)C(=O)N1CC[C@@H](NC(=O)NC2Cc3ccccc3C2)C1 97377415 RHIQKLDCWYCQQF-OAHLLOKOSA-N 315.417 1.710 0 40 DDAB CN(C)c1ccc(C(=O)N2CCOC[C@@H]2c2cccn2C)cn1 97379499 ULFCEEQNPKFOLT-OAHLLOKOSA-N 314.389 1.700 0 40 DDAB Cc1cc(CNC[C@](C)(O)CN2CCOCC2)ccc1Cl 96500128 VWRANVISIPVGGP-INIZCTEOSA-N 312.841 1.821 0 40 DDAB Cc1cnc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)cn1 96255479 UWAPOGBGXDXHNF-UHFFFAOYSA-N 324.388 1.390 0 40 DDAB COC[C@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)N1C 96209538 QINGWAVKFBAMBE-CQSZACIVSA-N 306.406 1.924 0 40 DDAB O=C(CC1CC1)NC[C@H]1CN(C2CCOCC2)Cc2cncn21 247808118 COJPCRUYVSRSJK-INIZCTEOSA-N 318.421 1.335 0 40 DDAB COc1ccc(CN2CCN(C)C[C@@H](C(=O)N(C)C)C2)c(F)c1 257217491 CZFAMXBNJZWSEL-CQSZACIVSA-N 323.412 1.286 0 40 DDAB CN1CC[C@@H](c2ncc(CNC(=O)CN(C)C3CCCC3)[nH]2)C1 257257014 KNSOABNVNSLRIB-CYBMUJFWSA-N 319.453 1.319 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](Cc2cc(C(N)=O)ncn2)CC1 257211342 BYNMBLPGTIQJMP-GFCCVEGCSA-N 304.394 1.403 0 40 DDAB CN1CCN(C(=O)CN2CCCC2=O)C[C@H]1c1ccccc1 257320799 VYSMAHPEFDVGFA-HNNXBMFYSA-N 301.390 1.124 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)C2)n1 253388863 JSKLBSBDTASBPH-JHJVBQTASA-N 319.361 1.751 0 40 DDAB Cc1cc(-c2nccnc2[C@H]2CCCN2S(C)(=O)=O)[nH]n1 257263601 LQSBHDMHVMZSIC-LLVKDONJSA-N 307.379 1.272 0 40 DDAB Cc1nc(O)cc(C2(C)CCN(CC3(O)CCOCC3)CC2)n1 257251562 JRGITIDXUQHXCE-UHFFFAOYSA-N 321.421 1.386 0 40 DDAB CC(C)c1nnc(CCC(=O)N2CCOC[C@@H]2c2ccn[nH]2)o1 257203977 ASLCBXMNZBQRLG-GFCCVEGCSA-N 319.365 1.449 0 40 DDAB O=C(c1ccoc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104305 FPNGFIWMWBEZBR-UHFFFAOYSA-N 309.318 1.717 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(Cc3cc[nH]n3)CCO2)cc1 585277357 VHTRGXHGBOWUNG-KRWDZBQOSA-N 301.390 1.524 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2O1)NCC1CC1 585109128 AKPXASRWSNVXDE-MELADBBJSA-N 324.396 1.411 0 40 DDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)Cc2cnc[nH]2)cc1 585275325 ANMIQQBAGXREHH-IRXDYDNUSA-N 313.401 1.855 0 40 DDAB CS(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43956987 NZFKHQPCQVULEP-UHFFFAOYSA-N 312.391 1.447 0 40 DDAB CNC(=O)CN(C)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 52988079 RDINRUGPKUWTHH-UHFFFAOYSA-N 309.366 1.015 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)c1ccc(F)cc1 75138046 LCPDMWMZZZUBRZ-ZDUSSCGKSA-N 306.337 1.655 0 40 DDAB CNC(=O)CNC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 97055345 YADWCZPQIUUMGV-SECBINFHSA-N 317.311 1.682 0 40 DDAB Cc1ccc2sc(N3CC[C@@]4(C3)NC(=O)NC4=O)nc2c1C 631123259 FDZADUVMROCGAL-HNNXBMFYSA-N 316.386 1.701 0 40 DDAB O=C(O)[C@H](Cc1ccc(Br)cc1)N1CCOCC1 41566925 NQNCSMZLLMSNLI-LBPRGKRZSA-N 314.179 1.777 0 40 DDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(O)cc1O 42137206 OIQYSCPDWKSJKW-UHFFFAOYSA-N 315.112 1.844 0 40 DDAB CCOC(=O)/C(=C\Nc1cccc(Br)c1)C(N)=O 1888959366 UNKRDNSOGQSPOR-YFHOEESVSA-N 313.151 1.793 0 40 DDAB CC(C)Nc1nc(N2CCOCC2)nc(N(C#N)C(C)C)n1 5016865 PIFRYILHXROQFL-UHFFFAOYSA-N 305.386 1.224 0 40 DDAB CC(C)N(C(=O)COC(=O)CNC(=O)c1ccccc1)C(C)C 5715909 ZQZAKOAAUJMNPX-UHFFFAOYSA-N 320.389 1.605 0 40 DDAB CCN(CC)C(=O)Cn1nc2c3ccccc3nc(C)n2c1=O 12144974 NLBOQIAOSYHHEG-UHFFFAOYSA-N 313.361 1.221 0 40 DDAB CCOC(=O)[C@@H]1C(O)=Nc2nc(C)nn2[C@H]1c1ccccc1 13127042 NULKNWNNTGSSHC-RYUDHWBXSA-N 300.318 1.957 0 40 DDAB COC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 13670911 VOKXJZUXWRKCOG-LBPRGKRZSA-N 321.373 1.874 0 40 DDAB C[C@@H]1NC(=S)N(CC2(N3CCOCC3)CCCCC2)C1=O 15569785 IBBDWFCSXHNPHG-LBPRGKRZSA-N 311.451 1.127 0 40 DDAB O=C(C1CCC1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 19341603 ZQCOYOOGJJFUBH-CQSZACIVSA-N 312.377 1.526 0 40 DDAB O=C1CC[C@@H](C(=O)N2CC(Oc3nc4ccccc4s3)C2)N1 206656866 KRVYQCXWXHBFLE-NSHDSACASA-N 317.370 1.165 0 40 DDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 101273859 YTJSJYVMTHGBEZ-GFCCVEGCSA-N 307.371 1.923 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1 367953 GFHWMORHUUVNMW-UHFFFAOYSA-N 310.419 1.628 0 40 DDAB NC(=O)[C@H]1CN(Cc2cccs2)CCN(C2CCOCC2)C1 607853654 KNVXWAAWMWWLEQ-ZDUSSCGKSA-N 323.462 1.146 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)c1F 253473301 UBAWLSWNSXCKRJ-SECBINFHSA-N 315.370 1.123 0 40 DDAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 22030962 JPTUSNGPADFLSF-OAHLLOKOSA-N 306.406 1.266 0 40 DDAB C[C@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc(Cl)cn1 2644079 DNTMRACYVIZFCM-VIFPVBQESA-N 321.720 1.552 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 12051920 MHDIDCGNINLUSF-HNNXBMFYSA-N 321.340 1.224 0 40 DDAB COc1cccc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)c1 1888844433 CKFLKLQHRQOZFP-KRWDZBQOSA-N 318.417 1.909 0 40 DDAB Cc1ccnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888847405 AFSKBKPAYWMYIG-HUUCEWRRSA-N 322.368 1.406 0 40 DDAB CN([C@H]1CCN(c2ncnc3ccc(F)cc23)C1)S(C)(=O)=O 1888863913 DLODIDASASYKKW-NSHDSACASA-N 324.381 1.239 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1 1889068349 OVAWIXHPKFEJQH-LLVKDONJSA-N 315.295 1.584 0 40 DDAB CC(C)n1nccc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037983870 JLNJQYDDXVGMES-ZFWWWQNUSA-N 306.410 1.143 0 40 DDAB CCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055717978 QILBMXRUHBIPGG-GFCCVEGCSA-N 318.421 1.596 0 40 DDAB COCCNC(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148152 QCUIVQNRARLUPZ-AWEZNQCLSA-N 304.346 1.926 0 40 DDAB Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1 32630694 DZKVQGDEPYDGSK-UHFFFAOYSA-N 316.180 1.983 0 40 DDAB Cc1cccc(OCCn2c(=N)n(CC(N)=O)c3ccccc32)c1 20057919 QNRLUWQRFANHKK-UHFFFAOYSA-N 324.384 1.795 0 40 DDAB O=C(CN1CCNCC1)Nc1ccc(OC(F)(F)F)cc1 20268137 BOKOIEFYMQPSSS-UHFFFAOYSA-N 303.284 1.429 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 40474050 NDQCNFRJJKQTBE-CSVMPEJRSA-N 309.387 1.720 0 40 DDAB CCOc1ccc(-n2ncc(C(=O)NC[C@@H]3C[C@H]3C)c2C)nn1 40523799 NYLUAONSYBYTHU-PWSUYJOCSA-N 315.377 1.755 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2c(C)cc(OC)cc2C)C1 53203139 DZXATOCNNHBOJC-ZDUSSCGKSA-N 312.435 1.685 0 40 DDAB CCC[C@H](C)N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 41476838 WOGVAFVORGRAHI-NSHDSACASA-N 311.407 1.131 0 40 DDAB O=C1C[C@@H](n2nnn(-c3ccccc3F)c2=S)[C@H]2CO[C@H]1O2 103002519 JVUWSQQOVASZDK-JLLWLGSASA-N 322.321 1.193 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ncccc1O 22318482 CSAMPZFWBRYDAC-UHFFFAOYSA-N 311.301 1.804 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78789474 FRZKVHQHYSNYFB-CABCVRRESA-N 314.389 1.234 0 40 DDAB COC(=O)c1sc(-c2ccc(S(N)(=O)=O)cc2)nc1C 78733073 ZIPUQJFRZWZNBQ-UHFFFAOYSA-N 312.372 1.553 0 40 DDAB Cc1ccc(CCC(=O)N2CCC(NC(N)=O)CC2)c(C)c1 78954546 WRZYJMNYCLXKRC-UHFFFAOYSA-N 303.406 1.895 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3cc(C)on3)CC2)n1 41998950 ZFUNGIBIUBWKLE-UHFFFAOYSA-N 317.393 1.141 0 40 DDAB CC(=O)N[C@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1 22696180 LGJBPBMGQZLHRV-CYBMUJFWSA-N 303.406 1.423 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cccc(OC(F)F)c1 3511483 HRMYZRMVCUPOLO-UHFFFAOYSA-N 316.260 1.291 0 40 DDAB C[C@H](Sc1nc(N)cc(=O)[nH]1)c1nc2ccccc2c(=O)[nH]1 4906278 MAQKZHFMUZBANF-ZETCQYMHSA-N 315.358 1.442 0 40 DDAB O=C1O[C@@H]2C[C@@H]1N(C(=O)c1ccc(OC(F)(F)F)cc1)C2 101453349 SVKOJCVKVJDXHC-ZJUUUORDSA-N 301.220 1.725 0 40 DDAB CCOCCCNC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 47676629 GYNDODMGOUOHIC-LLVKDONJSA-N 321.377 1.804 0 40 DDAB CCCOc1ccc(OCCNC[C@@H]2CN(C)CCO2)cc1 72267992 SEBZKSVMOYSVPG-QGZVFWFLSA-N 308.422 1.774 0 40 DDAB CC(C)(C(=O)N1CCC[C@@H](n2cncn2)C1)n1cc(Cl)cn1 72235053 DFVSZUYFGPKGRD-GFCCVEGCSA-N 322.800 1.727 0 40 DDAB Cc1nc([C@H]2CCCN2Cc2cc(=O)n3ccsc3n2)no1 72279296 XGWBJBQDNRWGIB-LLVKDONJSA-N 317.374 1.785 0 40 DDAB COC(=O)C[C@H]1CN(Cc2cn3c(C)cccc3n2)CCO1 84230532 KHDMAUKRLIAMMY-AWEZNQCLSA-N 303.362 1.407 0 40 DDAB NCCCC[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)O 59766054 CJPMLWRZFHGSOZ-UONOGXRCSA-N 308.378 1.244 0 40 DDAB in-vitro COC(=O)CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 55895254 VSDLQWBUPDGKNJ-VXGBXAGGSA-N 306.362 1.521 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CNCCO1 43709638 PYZSXSCFANZGMP-LBPRGKRZSA-N 313.195 1.396 0 40 DDAB CCc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2=O)cc1 58197399 CIYZMMBRKCNVHA-CYBMUJFWSA-N 324.446 1.786 0 40 DDAB CN(c1ncc(S(N)(=O)=O)s1)[C@@H]1CCc2ccccc2C1 95397219 AOMUKPNOPYGWTC-GFCCVEGCSA-N 323.443 1.784 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COCc1cccs1 44910799 JGIGFVCZQIGIPR-SNVBAGLBSA-N 322.342 1.736 0 40 DDAB CC(C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(C(F)(F)F)cn1 44948258 ILTPCMCFXFOFDJ-QMMMGPOBSA-N 324.324 1.787 0 40 DDAB CC(C)c1noc(CS(=O)(=O)c2ccc3c(c2)OCCO3)n1 44947975 HZGUGJAXEQZYBO-UHFFFAOYSA-N 324.358 1.938 0 40 DDAB Cc1nc2ccccc2nc1CN1CCC[C@H](CNC(N)=O)C1 58316957 WAYQJMSAOUSXOT-CYBMUJFWSA-N 313.405 1.819 0 40 DDAB O=C(/C=C/c1cccnc1)NCc1ccnc(-n2cccn2)c1 58356442 PLMULSHIGCNIGG-SNAWJCMRSA-N 305.341 1.992 0 40 DDAB CC[C@@H](C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58311741 YQVNOWNKNQFMPJ-CQSZACIVSA-N 318.421 1.283 0 40 DDAB CC(C)Cc1nnc(NC(=O)CNC(=O)c2ccco2)s1 12765076 ZWDAHFYWMUZFJV-UHFFFAOYSA-N 308.363 1.698 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2[C@@H](C1)CN2Cc1ccc(O)cc1 107249476 GECVUQLMQLFSDU-IUODEOHRSA-N 315.398 1.805 0 40 DDAB O=C(NCc1ccccc1Cl)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101443972 NMPXEGHKSJAYML-RVMXOQNASA-N 307.733 1.610 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 29197363 LVBJWWGDGLYPMC-MRVPVSSYSA-N 306.771 1.087 0 40 DDAB C[C@@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)n1cncn1 45882089 YTSDJFULIVZGLA-SMDDNHRTSA-N 305.357 1.397 0 40 DDAB C[C@@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1)Cc1cccs1 84640897 RUAOARXLEFIZHE-NEPJUHHUSA-N 309.435 1.847 0 40 DDAB CN(CCNC(=O)c1ccncc1F)C(=O)c1ccncc1F 119309186 CMCUTFMJHACYHH-UHFFFAOYSA-N 320.299 1.257 0 40 DDAB Cc1cccc(OCCNC(=O)c2cccc(-n3cnnc3)n2)c1 21721118 XPXHTKOOISZGTF-UHFFFAOYSA-N 323.356 1.780 0 40 DDAB C[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc(Cl)s1 46597879 GWKCMCKYJJMOME-SFYZADRCSA-N 301.799 1.979 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccsc1 3408371 ZKADYKYFPNCTOK-UHFFFAOYSA-N 324.383 1.633 0 40 DDAB O=C(CN1CSCC1=O)Oc1ccc(OCC2CC2)cc1 63623435 SLUUQSSPNCMKDI-UHFFFAOYSA-N 307.371 1.914 0 40 DDAB Cc1cc(C)nc(NNS(=O)(=O)c2cc(F)ccc2F)n1 9254213 KIJRLOVBCPXION-UHFFFAOYSA-N 314.317 1.677 0 40 DDAB COc1cccc(/C=C/CCN2CCN(S(C)(=O)=O)CC2)c1 95408317 XGSWWGMWYYQPAK-ZZXKWVIFSA-N 324.446 1.676 0 40 DDAB Cn1c(SCC(N)=O)nnc1-c1ccc2c(c1)OCCCO2 64986871 PXRJFOAGFOCXIS-UHFFFAOYSA-N 320.374 1.221 0 40 DDAB CNC(=O)[C@@H](NC(=O)c1c(C)noc1C)c1ccc(F)c(F)c1 65492456 MWHPUCBHAJVYFN-ZDUSSCGKSA-N 323.299 1.787 0 40 DDAB Cc1ccc(C)c(OCC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1 65489543 KCQOMMCLFSSBHO-CYBMUJFWSA-N 316.357 1.088 0 40 DDAB Cc1csc([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)n1 65467136 HQNNMTQLJKKGGO-JTQLQIEISA-N 324.431 1.920 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 14093242 LDXXDVCCIGJVSB-TXEJJXNPSA-N 315.373 1.492 0 40 DDAB NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1 14129308 BSOHQZTVIPUQRP-UHFFFAOYSA-N 324.789 1.917 0 40 DDAB CCOC(=O)C1=C(CN(C)CC)NC(=O)N[C@H]1c1ccccc1 65613132 IHUDOFWAYVLSKT-HNNXBMFYSA-N 317.389 1.809 0 40 DDAB O=C(OCC(=O)c1ccc2c(c1)OCCO2)C1=COCCO1 4871228 NYFMRKSBSNJGQQ-UHFFFAOYSA-N 306.270 1.072 0 40 DDAB CCCS(=O)(=O)N(C)Cc1nc(-c2ccsc2)no1 72302066 JTDDAVSBOUMTET-UHFFFAOYSA-N 301.393 1.970 0 40 DDAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](C)COC)CC2=O)cc1 4943344 RGTFXZSXMQYJLP-STQMWFEESA-N 320.389 1.589 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 15398721 TVOWHEKHOAENBV-MRXNPFEDSA-N 321.352 1.509 0 40 DDAB CONC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 68063720 SUCYELISNDVTMA-GFCCVEGCSA-N 305.359 1.361 0 40 DDAB C[C@@H]1C[C@H](N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1 95402298 ZYDUPLOIUKXYNH-WXHSDQCUSA-N 320.393 1.157 0 40 DDAB NC(=O)[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1 95426057 VDPPBNHPPAZFEI-IIAWOOMASA-N 306.431 1.857 0 40 DDAB CCNC(=O)NCCOC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 95404970 QRVVECBLJYABHJ-ZYHUDNBSSA-N 312.316 1.931 0 40 DDAB Cc1cnn(CCNCc2ccccc2N2CCOCC2)c1 70005381 SRBBEPLHIYCPNX-UHFFFAOYSA-N 300.406 1.818 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCCC[C@@H]1Cn1cccn1 71877648 UBGBRNVMPPSVEV-OAGGEKHMSA-N 320.437 1.421 0 40 DDAB Cn1c(CN2CCO[C@@H](Cn3cccn3)C2)nc2ccccc21 69418679 VGVAYVYCVVYLQS-CQSZACIVSA-N 311.389 1.671 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cc1cn3ccccc3n1)C2 69464672 ATIKFBPCOOBGRB-UHFFFAOYSA-N 310.361 1.073 0 40 DDAB CCOc1ccc(C[C@@H](CNC(=O)C(C)(C)C)C(N)=O)cc1 71826769 CZPSTXHFRQDDOM-ZDUSSCGKSA-N 306.406 1.892 0 40 DDAB C[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O 71892713 VTAPDLROKKOJDJ-SSDOTTSWSA-N 319.342 1.142 0 40 DDAB CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 69508231 GJLKXHWPLMSAAX-UHFFFAOYSA-N 316.429 1.648 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1 97230048 PZCXVXMJGXLDGU-KCPJHIHWSA-N 302.374 1.878 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 69778689 IEWWTLFMVSZAPS-UKRRQHHQSA-N 316.405 1.366 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H](C)OCc1ccccc1)C2 69770075 RZZQEHJTVJYQAV-CYBMUJFWSA-N 314.389 1.788 0 40 DDAB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncnc2[nH]cnc12 71916737 YUHXFUMSWUQUQU-SECBINFHSA-N 323.316 1.135 0 40 DDAB C[C@@H](CNC(=O)c1nc2ccccc2[nH]1)CN1CCN(C)CC1 69975690 HLFZQDHPIRWUOB-ZDUSSCGKSA-N 315.421 1.176 0 40 DDAB Cn1nnc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)ccc21 69948353 IZJMJFLOHKSQDP-ZDUSSCGKSA-N 310.361 1.642 0 40 DDAB COC[C@@H]1CN(C(=O)c2ncccc2C(F)(F)F)CCO1 92470035 LLRCIRWRMUVPQL-VIFPVBQESA-N 304.268 1.588 0 40 DDAB NC(=O)OCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 97371440 KVCCYOAQVBJJGQ-HTQZYQBOSA-N 300.717 1.794 0 40 DDAB O=C(Cc1csc(NC(=O)C2CC2)n1)NC[C@H]1CCCO1 9815936 YXNZAFYMPPDOEI-LLVKDONJSA-N 309.391 1.329 0 40 DDAB COCCOCc1cc(C(=O)NCCCC(=O)O)ccc1F 95424159 FITASWVDVQCVSB-UHFFFAOYSA-N 313.325 1.583 0 40 DDAB Cc1cnc(CNS(=O)(=O)Cc2noc3ccccc23)o1 97082105 AMTWXWBQWDNNKR-UHFFFAOYSA-N 307.331 1.744 0 40 DDAB COc1ccc(S(=O)(=O)N(C)c2cnn(C)c2)c(C)c1F 97084059 RPNBKVOCUZRGFH-UHFFFAOYSA-N 313.354 1.701 0 40 DDAB CC(C)N1C[C@H](NC(=O)NC[C@@H](O)c2ccccc2F)CC1=O 72293218 CVWBEQPXBHNHDK-BXUZGUMPSA-N 323.368 1.168 0 40 DDAB Cc1occc1CN(C)c1cc(N2CCC[C@@H]2CO)ncn1 72276181 PFFYZTOSHFXELA-CQSZACIVSA-N 302.378 1.976 0 40 DDAB CC(C)(C)c1nccc(N2CCC[C@H](CS(N)(=O)=O)C2)n1 98018562 YIUAQWRMRUFJPH-NSHDSACASA-N 312.439 1.279 0 40 DDAB CN(c1nccc(C(F)(F)F)n1)C1CCS(=O)(=O)CC1 95963850 QEQXUBPGUWXWKQ-UHFFFAOYSA-N 309.313 1.509 0 40 DDAB CCc1nnc(CN2CCC[C@@H](c3ccnc(COC)n3)C2)o1 89296260 JTWMYQNAMXIMES-GFCCVEGCSA-N 317.393 1.948 0 40 DDAB COCCOc1ncccc1CNC(=O)c1ccc(C)[nH]c1=O 75124100 FFUQOAGIZWZCIB-UHFFFAOYSA-N 317.345 1.034 0 40 DDAB CCCc1noc(CCC(=O)N2CCC[C@H](n3cncn3)C2)n1 75583685 FPMDBPPAQKBVPK-LBPRGKRZSA-N 318.381 1.410 0 40 DDAB CCN1C[C@@H](NS(=O)(=O)c2cnn(C(C)C)c2)[C@H](C)C1 76058478 LITUQZCQAGYHIA-DGCLKSJQSA-N 300.428 1.083 0 40 DDAB CCn1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)nn1 1548454020 XMZPXVDXHVNPAP-UHFFFAOYSA-N 323.360 1.254 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1cc(Br)cs1 178924822 GAEPSESZNWWGGS-SNVBAGLBSA-N 306.181 1.392 0 40 DDAB O=C1CC[C@]2(C(=O)NC[C@H]3CC4CCC3CC4)SCCN12 521629605 WRQPWUQCFXHTPP-UXTNIJRTSA-N 308.447 1.994 0 40 DDAB COc1ccc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1 35289325 XNSNKKCRFZPMIN-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB O=C(Nc1cc[nH]n1)c1c(-n2cnnn2)sc2c1CCCC2 524734929 KAZTZGXACFOFEI-UHFFFAOYSA-N 315.362 1.578 0 40 DDAB CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N 79391286 BVGLIYXLEXRKAH-QWHCGFSZSA-N 313.442 1.970 0 40 DDAB Cc1ncnc(N2CCN(C)CC2)c1I 217589804 MHKBHYCXYVDQRG-UHFFFAOYSA-N 318.162 1.141 0 40 DDAB Cn1ccnc1[C@H]1CCN(C[C@H](O)COc2ccccc2F)C1 565841257 ORQCCRORYPWSLI-KBPBESRZSA-N 319.380 1.788 0 40 DDAB CC(C)N(Cc1ccc(Br)nc1)C(=O)[C@H](C)N 79421591 JAGIDJOIJPJFIR-VIFPVBQESA-N 300.200 1.928 0 40 DDAB O=C(CC1CCN(c2cccnn2)CC1)NC1CCOCC1 72366520 MAGCRTHLHNLQLR-UHFFFAOYSA-N 304.394 1.378 0 40 DDAB CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1sccc1C 562295104 IEJRFMIOYBIKOG-ZJUUUORDSA-N 303.405 1.930 0 40 DDAB CNC(=O)[C@]1(C)CN(c2nnc(C)c3ccccc23)CCO1 72355287 BDVNYOJJRSYEKI-INIZCTEOSA-N 300.362 1.280 0 40 DDAB Cn1cc(CN2CCCC3(C2)OCCO3)c(-c2cccnc2)n1 184723183 BTBGRARFARANKP-UHFFFAOYSA-N 314.389 1.821 0 40 DDAB Cc1cnccc1NC(=O)N1CC[C@@H](CN2CCOCC2)C1 133346033 DJQVGXWYMBNKPX-AWEZNQCLSA-N 304.394 1.576 0 40 DDAB O=C1CCCN1CCNC(=S)Nc1ccc2c(c1)OCO2 225811766 FZNMOTXOHXZTQO-UHFFFAOYSA-N 307.375 1.324 0 40 DDAB CC(=O)NC1CCC(NCc2ccnc(-n3cccn3)c2)CC1 132503052 ZZMXENWSFBRTOW-UHFFFAOYSA-N 313.405 1.804 0 40 DDAB O=C(O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)cc1 571562003 ZREMGOIGZUDYCC-LLVKDONJSA-N 316.317 1.576 0 40 DDAB Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1=O 48961801 BHKGVKMKSWUNJM-UHFFFAOYSA-N 316.741 1.979 0 40 DDAB O=C(Nc1ccc(F)cc1)N(CCC(F)(F)F)C[C@H](O)CO 84855612 ZUTHQOJXYDPPSK-NSHDSACASA-N 324.274 1.965 0 40 DDAB CCc1nc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)no1 44094423 AWHAFLMOZSEUSD-UHFFFAOYSA-N 301.350 1.363 0 40 DDAB CCN(CCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 42870439 FIDVYEGTEYOMPR-CQSZACIVSA-N 310.419 1.448 0 40 DDAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 85876527 NTGTVNXUBUREJD-LLVKDONJSA-N 313.309 1.896 0 40 DDAB biogenic CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccccc1 226073198 FXPJOUIZHMBYEJ-UHFFFAOYSA-N 312.435 1.860 0 40 DDAB COC[C@H](C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 143544474 NSXICKJUXONIPU-NSHDSACASA-N 319.361 1.829 0 40 DDAB CCN1C(=O)CCC[C@@]12CCCN(c1cc(OC)ncn1)C2 96229846 RNZVKKGFIVCNBK-INIZCTEOSA-N 304.394 1.857 0 40 DDAB COCc1ncn2c1CN(S(=O)(=O)c1cccs1)CC2 96085144 PPXMIPSMXOENPM-UHFFFAOYSA-N 313.404 1.296 0 40 DDAB Cn1cnc(C(=O)N2CC3(CCN(Cc4ccccc4)C3)C2)c1 96070798 MKBMSIZBGNIOTM-UHFFFAOYSA-N 310.401 1.768 0 40 DDAB O=C(NCCOc1cccc(F)c1)NCC[C@@H](O)C(F)(F)F 96413284 RJBYDAWDTJYFHW-LLVKDONJSA-N 324.274 1.817 0 40 DDAB CN1CCC(CCO)(NCc2ccc(N3CCCC3)nc2)CC1 332271642 FLIFLWNJGUKRHC-UHFFFAOYSA-N 318.465 1.618 0 40 DDAB Cn1cc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)cn1 96188345 NQOKCPOFUYVNMR-INIZCTEOSA-N 314.437 1.344 0 40 DDAB Cc1c(CNC(=O)N2CCS(=O)(=O)CC2)oc2ccccc12 96406880 HEAGMEMTKIWFOE-UHFFFAOYSA-N 322.386 1.681 0 40 DDAB Cc1ccc(F)cc1C(=O)N1CCN(c2nccn2C)CC1 96418479 KGPIPKZJOWEVIQ-UHFFFAOYSA-N 302.353 1.830 0 40 DDAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@H]1CCCc2ccccc21 249628079 UMYSGJMWVMMDJC-XNRPHZJLSA-N 315.417 1.930 0 40 DDAB CN(C)Cc1cnc([C@H]2CN(Cc3ccncc3)CCO2)[nH]1 257284098 PBFUXYSSTOJJPQ-OAHLLOKOSA-N 301.394 1.440 0 40 DDAB O=C(O)[C@H]1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C1 257313767 UUASLIDOKIPLNV-VIFPVBQESA-N 303.293 1.763 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)Cn2ccc3ccc(F)cc32)[C@H]1O 257303778 SIRIWUJPVHHVKO-FRFSOERESA-N 320.364 1.777 0 40 DDAB C[C@@]12CCN(C(=O)c3ccc(CCN)cc3)[C@@H]1CC[C@@H](O)C2 257295135 QXCWXSGPBPRVFC-NUJGCVRESA-N 302.418 1.953 0 40 DDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1cnccn1 257316608 VGGUWGYYKGLEMJ-CQSZACIVSA-N 312.377 1.553 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCCc2ccncc2)[C@H]1O 257275632 NQEPFWBMJWSQNB-BFYDXBDKSA-N 306.406 1.791 0 40 DDAB Cc1nccc(C[C@@H]2COCCN(C(=O)c3cccnc3)C2)n1 257331481 XTAWJLQLAKYDDZ-AWEZNQCLSA-N 312.373 1.511 0 40 DDAB COc1ccccc1CC(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257230806 GDZXALVCRXZCNY-RDJZCZTQSA-N 305.374 1.644 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575406348 XBRONBOGWIQUIM-CYBMUJFWSA-N 306.366 1.121 0 40 DDAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1c(C)noc1C)C2 585107233 FNMYASAQFAPOGE-MLGOLLRUSA-N 305.378 1.670 0 40 DDAB CCOC[C@H]1CN(C)C2(C1)CN(C(=O)c1cncc(C)c1)C2 585093737 BDAFARPYUCGGEQ-CQSZACIVSA-N 303.406 1.573 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 32979595 PRMIXDWDKRNFJH-QMMMGPOBSA-N 303.318 1.700 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCCC[C@@H]1Cn1cccn1 71877650 UBGBRNVMPPSVEV-BZUAXINKSA-N 320.437 1.421 0 40 DDAB COc1ccnc(N2CCN(Cc3ccc(F)cc3)CC2)n1 72031584 BZIAOVANDACNAW-UHFFFAOYSA-N 302.353 1.947 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)no1 72299204 ANMWNOBDAAMPBQ-LLVKDONJSA-N 302.334 1.606 0 40 DDAB CCC[C@@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 51373596 KJNDSUIEGOSOSX-WMLDXEAASA-N 320.389 1.675 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(CCc3ccncc3)CCO2)n1 75133062 QSVXMQHIFKUACT-MRXNPFEDSA-N 301.394 1.233 0 40 DDAB CCC(=O)N1CC[C@H](N[C@H](C(N)=O)c2ccccc2)[C@@H](C)C1 76056309 JPSYHRJDANVJGC-NOLJZWGESA-N 303.406 1.450 0 40 DDAB Cc1cc([C@H]2CCCN(C(=O)COc3cc(C)on3)C2)n[nH]1 84110544 FYUUPJTWZRVXEJ-LBPRGKRZSA-N 304.350 1.800 0 40 DDAB Cc1nc(CCNC(=O)NCc2cccc(N(C)C)n2)cs1 89709100 ZZKDNNVNNDNPLN-UHFFFAOYSA-N 319.434 1.954 0 40 DDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1ccccc1 1549161637 NTPBZBOHPUPIQN-GVDBMIGSSA-N 314.389 1.074 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)NCCN1CCc2ccccc21 12238968 XAUGROAUIBYLPB-UHFFFAOYSA-N 320.418 1.070 0 40 DDAB Cc1nc(-c2cncnc2[C@H]2CCN(C(=O)C(C)C)C2)no1 19693887 WZQNPWVLBCSMLD-NSHDSACASA-N 301.350 1.807 0 40 DDAB COc1ccc([C@H](O)CNC(=O)NC2CCCC2)cc1OC 211090164 FPGLIDYVAHNUNT-CYBMUJFWSA-N 308.378 1.979 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H](Oc2ccncc2Cl)C1 575614044 VNOZVVHGCSHOKQ-JTQLQIEISA-N 319.814 1.385 0 40 DDAB O=S(=O)(c1ccc(Br)s1)N1C[C@H]2C[C@H]1CO2 376642449 LPJOSUGYUQNAFV-NKWVEPMBSA-N 324.221 1.672 0 40 DDAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c(F)c1 2037983828 HULMTZGNAVUJFU-BBRMVZONSA-N 322.380 1.513 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@]32C(=O)N2CCCC2)cn1 2056225242 LLFHOQZMBFBNHH-CZUORRHYSA-N 300.362 1.012 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N3)CC2)cn1 1614934261 UYESKIRVXUAKGK-KRWDZBQOSA-N 301.390 1.919 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)CCc3ccc[nH]3)CC[C@H]2C1 1565553077 JHIBBANPMWODFM-HOCLYGCPSA-N 305.422 1.517 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3O[C@@H](C(=O)NCC4CC4)C[C@H]32)C1 1565545593 LIWWCTJTSRJRQJ-LKSPQZJESA-N 306.406 1.317 0 40 DDAB CN1Cc2nccn2C[C@]12CCN(C(=O)CCc1ccc[nH]1)C2 2055773063 QLLZWDJUNXEEOI-KRWDZBQOSA-N 313.405 1.261 0 40 DDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(C)=O)CC1 2055750692 QIWARTUWIKBCMB-UHFFFAOYSA-N 305.378 1.234 0 40 DDAB Cc1cnc(C)c(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889206 PYBSISWHLFYTPA-ZDUSSCGKSA-N 324.450 1.486 0 40 DDAB CN(C)c1cc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)ncn1 2298171382 YTKTVXCKXOAFOH-GFCCVEGCSA-N 305.426 1.674 0 40 DDAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 5497984 DXPKLCSLHQPQSD-UHFFFAOYSA-N 321.310 1.884 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccn2)c1 72238979 CRPPKYBQBSTSLG-GFCCVEGCSA-N 306.391 1.830 0 40 DDAB Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 40161701 LTYOSKQMJHLSTD-KRWDZBQOSA-N 318.417 1.697 0 40 DDAB CC[C@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1OC 40528191 CMRZGMZLIZXUDW-ZDUSSCGKSA-N 309.391 1.858 0 40 DDAB O=C(O)c1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 214763 KDILGXQBRXISBN-STQMWFEESA-N 303.314 1.668 0 40 DDAB CC(C)C[C@@H](C(=O)N1CCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101812837 SCLCZJWHTQGXFI-MJBXVCDLSA-N 304.390 1.585 0 40 DDAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)N1CCOCC1 32899975 HWWIFZKXUGKIKY-UHFFFAOYSA-N 324.324 1.372 0 40 DDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCOC1 41370922 GPTVBCPBDVXSEO-JTQLQIEISA-N 317.794 1.266 0 40 DDAB Cc1cc(-c2nnc(-c3cc(C)on3)c3c2no[n+]3[O-])no1 509591 JWTVRHSIADGMNO-UHFFFAOYSA-N 300.234 1.178 0 40 DDAB CN(CCCNC(=O)c1cc(C2CC2)[nH]n1)CC(F)(F)F 46833744 DXQSHFVCDGTJKD-UHFFFAOYSA-N 304.316 1.901 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)C1CCN(C(=O)N(C)C)CC1 53438927 VXGYZHGUWZFERH-AWEZNQCLSA-N 311.426 1.408 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCC1=O 78996612 ACGFLIGMHXHDMF-BDJLRTHQSA-N 320.437 1.861 0 40 DDAB CCNC(=O)CNC(=O)CCN1c2ccccc2CC[C@@H]1C 78965227 BGLKYYYBMJOLIW-ZDUSSCGKSA-N 303.406 1.470 0 40 DDAB COc1cccc(CN(C)C(=O)c2ccnc(-n3cncn3)c2)c1 53759286 DQMWYJYFEWMXPM-UHFFFAOYSA-N 323.356 1.943 0 40 DDAB C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1Br 54371104 MWSFFLGDOZGMRD-SECBINFHSA-N 319.224 1.432 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 100617343 YJFRWKBHTHRBMP-IMIFBBOLSA-N 319.313 1.297 0 40 DDAB COc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)cn1 72276038 POVVLFWJDJBKGG-CYBMUJFWSA-N 315.377 1.453 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)CC)cc1 56163337 NPFXGDGCBHJMIR-JTQLQIEISA-N 306.366 1.681 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C)cc1 26845848 JNYYFAHYYACWCW-LLVKDONJSA-N 313.375 1.273 0 40 DDAB CCOC(=O)N1CCN(C(=O)CCOc2ccccc2)CC1 48088888 JRSQFUWBQAGQSN-UHFFFAOYSA-N 306.362 1.756 0 40 DDAB COCCCNC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2 27020833 PARBRTHLSHFVOJ-NSHDSACASA-N 305.378 1.524 0 40 DDAB CCc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2=O)cc1 58197402 CIYZMMBRKCNVHA-ZDUSSCGKSA-N 324.446 1.786 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccco3)CC2)CC1=O 108531484 VSVQIOHSPRBDMC-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2cnn(C)c2)n1 44971733 HTJRAUOVCAAILW-GFCCVEGCSA-N 318.425 1.711 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3c(C)n[nH]c3C)CC2)nn1 97139354 SOMGHCCKYRHPNZ-UHFFFAOYSA-N 318.381 1.242 0 40 DDAB C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)[C@H]1CCCO1 27907751 KNDXKQIHAFMILZ-WCQYABFASA-N 316.361 1.748 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCCc2c1cnn2C 58421095 KPRTZZFNTPGQKT-AWEZNQCLSA-N 302.426 1.695 0 40 DDAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1 45120628 CGIYCJWULAPBBB-NEPJUHHUSA-N 305.378 1.581 0 40 DDAB COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 28274628 FJCSPCCBQJFGRV-NSHDSACASA-N 315.329 1.670 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 103496810 CFAKMWKKUOCHFS-ZDEQEGDKSA-N 311.378 1.747 0 40 DDAB COc1ccc(CN2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 107226698 LQKPGVQIWDUWSZ-NVXWUHKLSA-N 314.389 1.893 0 40 DDAB COC(=O)c1cc(S(=O)(=O)Nc2cccnc2)ccc1C 174324126 ZRYYJVVMXJYUNG-UHFFFAOYSA-N 306.343 1.977 0 40 DDAB O=C1COc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2N1 29010040 NGVCZDQOULFRBJ-GHMZBOCLSA-N 316.313 1.623 0 40 DDAB O=C(NCCCCN1CCOCC1)[C@H]1COc2ccccc2C1 48355679 WVNWAEHNBWDDOG-MRXNPFEDSA-N 318.417 1.466 0 40 DDAB C[C@@H]1CN(C(=O)NCc2cccnc2-n2cccn2)C[C@@H](C)O1 46095722 YVBLJPRBXXAVFG-CHWSQXEVSA-N 315.377 1.586 0 40 DDAB Cc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)no1 2621212 LWHNDPWEULBHAI-UHFFFAOYSA-N 301.224 1.802 0 40 DDAB CC1(C)C(=O)OCCN1S(=O)(=O)c1ccc(Cl)cc1 12193269 MVQLHIUDNJOURA-UHFFFAOYSA-N 303.767 1.666 0 40 DDAB CNC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1 72307853 UUPLTZRAVITTRU-AWEZNQCLSA-N 313.405 1.847 0 40 DDAB CCN(CC)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 3453253 LHXCZJDTCPQTMC-UHFFFAOYSA-N 302.330 1.553 0 40 DDAB Cc1noc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)n1 62639835 MJDABPPCKJOVHV-AWEZNQCLSA-N 320.736 1.999 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N[C@@H]1CCCN(c2ncccn2)C1 84613418 ZCNCBZGYQBSGLT-KGLIPLIRSA-N 319.409 1.314 0 40 DDAB O=C(CCc1nccs1)N1CCN(c2ccccn2)CC1 49677767 YVAAALIHTKILRE-UHFFFAOYSA-N 302.403 1.820 0 40 DDAB CCOc1ccccc1/C=C/C(=O)O[C@@H](C)C(=O)NC(=O)NC 6009964 YXGKATULHFESLP-USKTWTLRSA-N 320.345 1.486 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2nncs2)c1 65415394 XVQWONYFIZUPFV-SNVBAGLBSA-N 324.362 1.410 0 40 DDAB CCC[C@H](C)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 65591820 TWDJNOGXJMSGCN-NWDGAFQWSA-N 305.444 1.288 0 40 DDAB O=C(O)CSc1nnc2c(=O)n(Cc3ccccc3)ccn12 65534277 WBADGYNLINLUOH-UHFFFAOYSA-N 316.342 1.116 0 40 DDAB NC(=O)c1ccccc1NC(=O)CN(C[C@@H]1CCOC1)C1CC1 65562251 MECBNBMTMACUSW-LBPRGKRZSA-N 317.389 1.225 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306140109 UKFGVHDZVCLGKE-BMFZPTHFSA-N 316.401 1.872 0 40 DDAB Cc1cc(Br)cn(C[C@H](O)COC(C)C)c1=O 97032629 HSGNQFGLGNHYEG-NSHDSACASA-N 304.184 1.705 0 40 DDAB CCOC(Cn1cc(I)cn1)OCC 66324254 QDBACASHPVZVQK-UHFFFAOYSA-N 310.135 1.887 0 40 DDAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H](O)C1 66342742 XJDJFVIFFAJNDW-CJNGLKHVSA-N 321.396 1.818 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(F)cc1 6881669 KTRUIDYADQVAFE-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 24583530 AYZOFPZWHABWNE-UHFFFAOYSA-N 310.419 1.999 0 40 DDAB O=S1CCN(c2ncccc2I)CC1 97009718 CNPYUUQWGGMVSL-UHFFFAOYSA-N 322.171 1.255 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 96453307 SBHFMDNOXMEVNU-LLVKDONJSA-N 300.366 1.059 0 40 DDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)Cn2ccnn2)CC1 96492210 VJUZQMNMTFICBH-ZDUSSCGKSA-N 317.368 1.323 0 40 DDAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2=O)o1 7194621 MNTFJSBBEWSART-UHFFFAOYSA-N 307.331 1.879 0 40 DDAB Cn1cc(N2CCN(C(=O)c3ccncc3Cl)CC2)cn1 80487006 XYFLUVUCCREGMG-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1 72299731 HMJBQMIDYQSLPD-AWEZNQCLSA-N 311.389 1.510 0 40 DDAB Cc1cccc(CC(=O)N(C)CCCN2CCN(C)CC2)c1 71896523 ROHRALNDSRXPFA-UHFFFAOYSA-N 303.450 1.633 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(F)(F)F)ccc21 68682688 KKXJHLCWUCJZKV-UHFFFAOYSA-N 315.251 1.002 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)N2CCOCC2)c1 71866137 XKIWTGHULVINLW-JKSUJKDBSA-N 320.437 1.293 0 40 DDAB Cc1cnn(C[C@@H](C)NCC(=O)N(C)Cc2ccsc2)c1 71874832 ZNQQYSJENOFEFT-CYBMUJFWSA-N 306.435 1.890 0 40 DDAB CCN(C(=O)CN1CCC(c2n[nH]c(C3CC3)n2)CC1)C1CC1 69010820 HNGXNRLQLCSHMY-UHFFFAOYSA-N 317.437 1.872 0 40 DDAB COc1cccc(CNC(=O)c2csc(-c3nc[nH]n3)n2)c1 72280518 XZQBHUCOPHWTQE-UHFFFAOYSA-N 315.358 1.867 0 40 DDAB CC[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)N1CCCC1 69453900 ULAIIMWKALAHPV-CQSZACIVSA-N 314.393 1.267 0 40 DDAB CC(C)(C)c1cnc(Cn2c(-c3ncccn3)noc2=O)o1 69419077 ACGIYFZQARHCHV-UHFFFAOYSA-N 301.306 1.627 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NC1CCCC1 69589708 ZONXPYITJFNKCO-JKSUJKDBSA-N 307.438 1.521 0 40 DDAB C[C@@H]1CN(C[C@H](O)c2ccccc2)CCN1Cc1nccn1C 69598211 IAVWJPCIVUYSCI-WBVHZDCISA-N 314.433 1.660 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 69628106 IHASCZKAEVTZBV-SJORKVTESA-N 324.440 1.884 0 40 DDAB C[C@@H](NCc1cccc(OCC(N)=O)c1)[C@@H](C)n1cccn1 69969846 PPOAZKUPBPNXTK-CHWSQXEVSA-N 302.378 1.487 0 40 DDAB C[C@@H](CS(C)(=O)=O)Nc1ccnc(Cc2ccccc2)n1 97379189 UNSNQQAXSCMOSJ-LBPRGKRZSA-N 305.403 1.912 0 40 DDAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@@H](O)c1ccccc1 95438663 AVLCSWMKNMPRAJ-ZIAGYGMSSA-N 320.320 1.192 0 40 DDAB O=C(O)C[C@H]1CSCCN1C(=O)c1cccc2cn[nH]c12 95424728 ILAIBDKLYBJXGJ-JTQLQIEISA-N 305.359 1.595 0 40 DDAB Cc1ccc(C)c(N(CC(=O)N(C)C)S(=O)(=O)N(C)C)c1 20244550 WDBCWZMSFQLNEK-UHFFFAOYSA-N 313.423 1.004 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc[nH]2)CC1 74144119 NTOUTECTZKCSIH-AWEZNQCLSA-N 318.421 1.174 0 40 DDAB COCCc1noc(CN(C)CC(=O)Nc2ccccc2F)n1 89364886 WPIQBHFJTAHIRL-UHFFFAOYSA-N 322.340 1.468 0 40 DDAB CCn1cc(S(=O)(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)cn1 74975520 GJUMHCPHZPHMTB-DGCLKSJQSA-N 301.412 1.385 0 40 DDAB COc1cc(C(=O)N[C@@H](CC(=O)O)C2CC2)cc(OC)c1C 89534619 JURNAHYOFWRLTI-LBPRGKRZSA-N 307.346 1.995 0 40 DDAB Cc1ccc(-c2nnc(SCC3(CO)COC3)n2N)cc1 75108798 LNIFRHIOOHASBV-UHFFFAOYSA-N 306.391 1.068 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Oc1cc(F)ccc1F 75582978 ZROQLJFLNOUMIS-LLVKDONJSA-N 319.329 1.684 0 40 DDAB Cc1ncc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)s1 76058905 VUBUYSPZSYMVNT-IAQYHMDHSA-N 322.434 1.604 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1nccn1C 76042808 UGOIEJYFHYKSQB-XJKSGUPXSA-N 303.410 1.638 0 40 DDAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C=O)CC1 20495205 NQDBFQVEYYDMDP-INIZCTEOSA-N 304.390 1.761 0 40 DDAB O=C(N1CCCCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 23356725 VBKFVZGJOHHSCE-QGZVFWFLSA-N 317.433 1.944 0 40 DDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1Cc2ccccc2C1=O 20714919 PWSSISUOJZBZFT-NSHDSACASA-N 320.352 1.968 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN(CC(F)(F)F)CC1 54372249 IHURTMGVPHHBPG-UHFFFAOYSA-N 312.295 1.883 0 40 DDAB CCOC(=O)c1c[nH]c(=NC[C@H](c2ccsc2)N(C)C)cn1 547632693 HHTIPNPCSPJNFJ-CYBMUJFWSA-N 320.418 1.852 0 40 DDAB CCCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1 409133391 MGDPNYKWRCNTOA-UHFFFAOYSA-N 301.364 1.317 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2c(C)cc(C)cc2C)C1=O 408549717 XMYMSXHKIQNPJF-NTUHNPAUSA-N 302.330 1.678 0 40 DDAB Cn1cnnc1CN1C[C@@H](COc2ccccc2)OC(C)(C)C1 517765087 USTDSUUEXDOEJQ-HNNXBMFYSA-N 316.405 1.874 0 40 DDAB CC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1 3852328 LIHUGFNJDOYCSB-HUUCEWRRSA-N 310.419 1.721 0 40 DDAB biogenic Cc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)c(=O)[nH]1 62292981 RPAONEBXIBYXII-UHFFFAOYSA-N 310.313 1.566 0 40 DDAB CCN1CCC(N2CCCN(Cc3nonc3C)CC2)CC1 521394846 PJNIEBFQEDCRKX-UHFFFAOYSA-N 307.442 1.370 0 40 DDAB C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)n1ccnc1 78774969 BBBLHUMMWHNNHJ-SNVBAGLBSA-N 318.358 1.946 0 40 DDAB OCCNc1nc(NCCc2ccccc2)nc2nccnc12 32073485 XHHZSVACNYHLRF-UHFFFAOYSA-N 310.361 1.479 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1cnn(Cc2ccccc2)c1 185546989 JTVJLTIQLNRUFU-HZPDHXFCSA-N 315.373 1.040 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(C2=NC[C@H](C)S2)CC1 73119434 BZNBCVSOXSWGOZ-JTQLQIEISA-N 322.434 1.469 0 40 DDAB CCCCc1nnc(SCc2cccc(C(=O)NC)c2)n1N 79017578 PJYNZPXIVUWNIZ-UHFFFAOYSA-N 319.434 1.986 0 40 DDAB CC(C)O[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 566622019 GPZWWFPQORTORJ-GFCCVEGCSA-N 301.350 1.302 0 40 DDAB C[C@H](Cc1cnc[nH]1)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 568763194 OJZQZUUOEGMNCE-GFCCVEGCSA-N 324.388 1.732 0 40 DDAB CCOCCCNC(=O)c1ccccc1N(C)S(C)(=O)=O 47080724 NPICKYOUAOVSCK-UHFFFAOYSA-N 314.407 1.239 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1CCc1ccco1 46087661 BCLILAYMARFFFK-UHFFFAOYSA-N 314.345 1.105 0 40 DDAB Cc1ccc(F)c(-c2cc(NC(=O)c3ccc(=O)[nH]n3)[nH]n2)c1 190097016 DPRYSDCEZIDIEN-UHFFFAOYSA-N 313.292 1.860 0 40 DDAB Cc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 69562498 SISPJXDJNLLTLN-MRXNPFEDSA-N 315.417 1.549 0 40 DDAB CC1(C)COc2ccc(/C=C3/NC(=S)NC3=O)cc2OC1 225370177 KSTKVEFICGKILX-BJMVGYQFSA-N 304.371 1.829 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)n1 46087471 SWPUDMODKKJVHG-QWHCGFSZSA-N 319.361 1.751 0 40 DDAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccccc1 224271376 VQWKHTHKUMXHTC-UHFFFAOYSA-N 304.375 1.878 0 40 DDAB Cc1cnccc1CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C 225440253 QLUDICFFKKYDDF-CQSZACIVSA-N 320.437 1.377 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1ccco1 96344502 QXYIRWVPRKSSHJ-UHFFFAOYSA-N 301.346 1.074 0 40 DDAB Cn1nnnc1-c1cccc(S(=O)(=O)Nc2ccsc2)c1 96435736 GFLGORBFDNNYDE-UHFFFAOYSA-N 321.387 1.739 0 40 DDAB CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1 96319611 PIEHJDCVSKBGAS-UHFFFAOYSA-N 323.374 1.706 0 40 DDAB c1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 96208576 JBLAULSUAUUOJZ-MSOLQXFVSA-N 302.418 1.467 0 40 DDAB O=C(CN(Cc1ccc(O)cc1)C[C@@H]1CCCO1)N1CCCC1 97104755 ILPNXWGNFBMONL-KRWDZBQOSA-N 318.417 1.996 0 40 DDAB CN1C(=O)NC(=O)C(=C2CCN(Cc3ccccc3)CC2)C1=O 95098274 YFTIVKRGMFIDIQ-UHFFFAOYSA-N 313.357 1.287 0 40 DDAB COCCOCC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 96409345 YBCZJDOGQDBGKM-OAHLLOKOSA-N 324.396 1.882 0 40 DDAB O=C(NC1CCC1)[C@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 96239504 YBUGKAYYXWHWGI-GFCCVEGCSA-N 304.346 1.322 0 40 DDAB CN(C)c1ccc(C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)cn1 96402582 SAYDTDQPEDLXIO-LLVKDONJSA-N 302.334 1.008 0 40 DDAB CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 333825619 JXXQXVLGNNHRES-ARFHVFGLSA-N 319.405 1.099 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCc3ccccc3CC2)[C@H](C)CO1 96428067 VDTWHWBIXVUYHN-KGLIPLIRSA-N 324.446 1.441 0 40 DDAB OC[C@@H](O)CSCc1cn(-c2ccc(F)c(Cl)c2)nn1 96501463 IHEKHTCCUQABAK-SNVBAGLBSA-N 317.773 1.646 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1CC1CCOCC1 96062073 UVOWVTMEKTZFSB-AWEZNQCLSA-N 315.421 1.931 0 40 DDAB OC[C@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(C2CC2)n1 604382064 BTALCSHUJYJJAI-QBPKDAKJSA-N 317.433 1.397 0 40 DDAB biogenic,in-vitro COc1ccc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)c(F)c1 257240097 HSBBPCSRFPQQBV-HOTGVXAUSA-N 310.369 1.296 0 40 DDAB Cc1c[nH]c([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 257330977 XQWAPRDASMYMDW-LBPRGKRZSA-N 310.361 1.479 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257318842 VPPGHUXIXNKSKJ-CQSZACIVSA-N 319.336 1.836 0 40 DDAB Cc1noc(C)c1-c1cnc(C2CCN(C(=O)CN)CC2)cn1 257266102 MBPKFYIEVNWWCS-UHFFFAOYSA-N 315.377 1.413 0 40 DDAB Cc1cccc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)n1 257248865 JFOAVQPOTJSOTA-MRXNPFEDSA-N 315.421 1.748 0 40 DDAB CCN(CC)S(=O)(=O)N1CCN(C)[C@@H](c2ccccc2)C1 257293618 QQJRVZLKFXJGFP-OAHLLOKOSA-N 311.451 1.562 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 257279961 OIXFFCVIYSRDHI-ZDUSSCGKSA-N 317.437 1.571 0 40 DDAB CN1CCN(C(=O)CSc2nnc(-c3ccccc3)[nH]2)CC1 253572202 PXMJEOORHYCUMN-UHFFFAOYSA-N 317.418 1.338 0 40 DDAB Cc1nn(C)cc1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 257277224 NWXXIIPXZQIXKP-AWEZNQCLSA-N 313.405 1.865 0 40 DDAB Brc1nccc2nc(I)nn12 575432118 GUPAJMCKOGKEJO-UHFFFAOYSA-N 324.907 1.491 0 40 DDAB Cc1ccc(OCC(=O)N2Cc3ncn(C)c3C[C@H]2CO)cc1 585094682 HGNNYZAWCXJPOH-ZDUSSCGKSA-N 315.373 1.053 0 40 DDAB Cc1ccccc1[C@H]1CN(Cc2cnn(C)c2)[C@H](CO)[C@@H]1O 585294917 LKWCBJRTDIDRDT-BRWVUGGUSA-N 301.390 1.050 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1ccnnc1)[C@@H]2C 585097295 IBUZSOQLSNAGCB-GFCCVEGCSA-N 315.377 1.469 0 40 DDAB Cc1cc(C)nc(N2CCO[C@](CO)(Cc3ccccc3)C2)n1 585275253 BBUDXZYCCMZUBA-GOSISDBHSA-N 313.401 1.904 0 40 DDAB Cc1nc(CN2CCCN(C(=O)c3cc[nH]n3)CC2)cs1 69770511 NFYQPKAQHZRTSS-UHFFFAOYSA-N 305.407 1.523 0 40 DDAB Cc1noc(C)c1C(=O)NCC1(OCCO)CCSCC1 888107063 VIXGMIHENZWQFA-UHFFFAOYSA-N 314.407 1.296 0 40 DDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 55485253 UUWLTRVSJCJWQT-JSGCOSHPSA-N 303.406 1.917 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C 48232246 JAMAUXBLIFJZLD-CYBMUJFWSA-N 301.350 1.226 0 40 DDAB C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)C(N)=O 95433535 PBVURFHUDQGXEM-LURJTMIESA-N 303.131 1.121 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)N(CC1CC1)CC1CC1 107060167 JKNUXNFVCILBAE-NWDGAFQWSA-N 302.440 1.462 0 40 DDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC2CCCCC2)nn1 1549161461 LEPPEROCHFMABV-SQWLQELKSA-N 322.453 1.626 0 40 DDAB COc1ccc(S(=O)(=O)Oc2ccccc2N)cc1C(=O)O 11616138 ZEOAYPYKBBQZLI-UHFFFAOYSA-N 323.326 1.743 0 40 DDAB CCCc1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 19746952 UTSBHJJNYJYWGO-MRXNPFEDSA-N 306.410 1.108 0 40 DDAB CCn1ccc(C(=O)N2CCC(CC(=O)NCC3CC3)CC2)n1 19748515 ROBGFAIOMDIZRK-UHFFFAOYSA-N 318.421 1.672 0 40 DDAB Cc1nc(NC(=O)N[C@H](CC(C)C)c2ncnn2C)nn1C 19867913 DJMZSEXVAPSXNV-SNVBAGLBSA-N 306.374 1.161 0 40 DDAB O=C(NC[C@@H]1CCCO1)N[C@H]1CC(=O)N(c2ccccc2)C1 4359863 HAIVNHFKMWHTEH-JSGCOSHPSA-N 303.362 1.270 0 40 DDAB C[C@@H](OC[C@H](O)CN1CCNC(=O)C1)c1ccc(Cl)cc1 23389872 DCWMWVHRBRUTHZ-BXUZGUMPSA-N 312.797 1.210 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2ncon2)C1 238831041 FXEKATPJLMIQMS-JTQLQIEISA-N 311.338 1.695 0 40 DDAB CC(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037841094 VZWRYOGTTCUQRA-INIZCTEOSA-N 306.337 1.570 0 40 DDAB COCCNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 96783004 KYIGVNMXPUCWJG-CQSZACIVSA-N 306.362 1.550 0 40 DDAB O=C(NCCc1ccsc1)C(=O)Nc1ccc2c(c1)OCO2 13724299 OIVSLEVPRXSHQE-UHFFFAOYSA-N 318.354 1.774 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)Cc1ccccc1)CC2 2055732764 ZNCKAAXKIRXZNJ-AWEZNQCLSA-N 313.401 1.952 0 40 DDAB Cc1cc(NC[C@@H](O)c2ccc3c(c2)CCO3)n2ncnc2n1 1775972476 HVMNRUQQLXVOCL-CYBMUJFWSA-N 311.345 1.513 0 40 DDAB CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1 38884204 ZDILXIFQJVHRCD-UHFFFAOYSA-N 303.337 1.913 0 40 DDAB Cn1nccc1-c1cncc(CNC(=O)Cc2cccnc2)c1 575615095 BUCZQJKREZPWRM-UHFFFAOYSA-N 307.357 1.736 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN(C(=O)C3CCC3)C2)n1 585602458 CFYMRHKNZJQCKY-UHFFFAOYSA-N 303.406 1.799 0 40 DDAB Cc1ccoc1C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 40215880 KAHPCTZVHDHOLX-SNVBAGLBSA-N 308.359 1.726 0 40 DDAB Cc1ccc(-c2nnc(CN3CCN(CCO)CC3)o2)cc1 30824522 XNROCGMPDFLRHW-UHFFFAOYSA-N 302.378 1.155 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 40493728 NRIYVSBMHPXNPM-UHFFFAOYSA-N 313.361 1.464 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 40498531 QSXCWSFUBCBVEB-TZMCWYRMSA-N 310.419 1.596 0 40 DDAB CCCCn1nnnc1CN1CCN(c2ccccc2O)CC1 32739712 LSOHSYWOYBTNHV-UHFFFAOYSA-N 316.409 1.501 0 40 DDAB CN(C)C(=O)Cc1nc(CSc2nnnn2C2CC2)cs1 32832056 RTSZKYASQSNWMQ-UHFFFAOYSA-N 324.435 1.388 0 40 DDAB COC(=O)C1CCN(C(=O)c2ccccc2OC(C)=O)CC1 31676 RJIICSCOXKRZQZ-UHFFFAOYSA-N 305.330 1.637 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccccc2-n2cccn2)CC1 46903812 OPZONIZWEHDTEF-UHFFFAOYSA-N 312.373 1.613 0 40 DDAB Cn1nc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2c1=O 8936088 QGOQUSAKZSRWRI-UHFFFAOYSA-N 322.324 1.285 0 40 DDAB CCc1ccc(O)c(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1 76466307 LDACUJRBFYYFLY-OAHLLOKOSA-N 318.417 1.749 0 40 DDAB CCCNC(=O)CNc1cccc(CS(=O)(=O)C(C)C)c1 79002881 LYCCTSFSGRMHDF-UHFFFAOYSA-N 312.435 1.948 0 40 DDAB Cc1ccc(O[C@@H](C)CNC(=O)N2CCO[C@H](CO)C2)cc1 79009160 UJLOZDFQASSPJF-ZFWWWQNUSA-N 308.378 1.165 0 40 DDAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 792756 YHXYSWQOZJFLFM-UHFFFAOYSA-N 305.359 1.584 0 40 DDAB CN1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 4087209 HGXPCVDAGILHCV-UHFFFAOYSA-N 305.359 1.680 0 40 DDAB O=C(CCn1cncn1)NCc1ccccc1Cn1cccn1 23451649 XKJGOPUVJKGJQV-UHFFFAOYSA-N 310.361 1.229 0 40 DDAB Nc1nc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1 42783603 YXWDZUNQSRAHCX-UHFFFAOYSA-N 304.785 1.429 0 40 DDAB in-vitro CC1CCN(CCNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1 54779887 SHXNCUOHTWQYBO-CYBMUJFWSA-N 313.442 1.748 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)CCO1 24029056 ACUGNQCVCGYSMB-LLVKDONJSA-N 302.334 1.312 0 40 DDAB CCN(CC)C(=O)c1cccc(NC(=O)CCn2cncn2)c1 54808507 OHTPRYDCBRSGLO-UHFFFAOYSA-N 315.377 1.789 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(O)cc2)s1 105739695 JOJVEUPJTLWPJF-WNEGCBGQSA-N 303.383 1.367 0 40 DDAB CCO[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H]2COC[C@@H]21 107201101 BTPMGZVMLONCPT-ZOWXZIJZSA-N 305.330 1.291 0 40 DDAB COc1ccc(C2=NO[C@H](CNC(=O)C(F)(F)F)C2)cc1 35327004 YNHIQJASTAQUFX-JTQLQIEISA-N 302.252 1.867 0 40 DDAB CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)O1 35395182 CKECEWYVEGPMPE-BKUVIOGVSA-N 302.367 1.810 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100081049 PGPWXNDTKMGRJR-APYUEPQZSA-N 310.353 1.741 0 40 DDAB O=C([C@H]1CCOC1)N1CCC2(CCCN(CC3CC3)C2=O)CC1 108536153 VTTAUSMOKSNXHO-HNNXBMFYSA-N 320.433 1.664 0 40 DDAB CC(=O)N1CCCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 27565272 DZDWSAWOALTJNT-UHFFFAOYSA-N 322.409 1.465 0 40 DDAB CN(C)c1cc(CNc2ncc(C(N)=O)cc2Cl)ccn1 44978696 IWUJDIFAJNZCHL-UHFFFAOYSA-N 305.769 1.907 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@H]4CCCC[C@H]43)nc2n1 44969919 LHZUHUGWXQOULC-OLZOCXBDSA-N 315.377 1.525 0 40 DDAB O=C(NCCc1ccccc1F)NC[C@@H]1CCS(=O)(=O)C1 44910294 KYPHKVJMWYDFAD-NSHDSACASA-N 314.382 1.102 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@@H]1C 44912607 DRNBGYCMILUGJO-LBPRGKRZSA-N 301.346 1.742 0 40 DDAB CCN(Cc1ccccc1Cl)S(=O)(=O)N1CCOCC1 44934015 NYDPCJJJWHOBAB-UHFFFAOYSA-N 318.826 1.739 0 40 DDAB CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O 2133390 FWCXVWNBMAPJFO-ZDUSSCGKSA-N 317.345 1.012 0 40 DDAB biogenic CNC(=O)C1CCN(C(=O)c2c(Cl)nc3ccccn23)CC1 45031348 OYRJTWIEDJCDIH-UHFFFAOYSA-N 320.780 1.586 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@H](N)C2)ccc1OC(C)C 36296894 DLGAQNFPBSWUCJ-ZDUSSCGKSA-N 312.435 1.894 0 40 DDAB CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 45163696 VVVQLXIRBLIQAS-UHFFFAOYSA-N 304.799 1.776 0 40 DDAB CC(=O)N1CCN(CCCOc2ccc3c(c2)OCO3)CC1 60131688 DGAAJKKCIBTUQC-UHFFFAOYSA-N 306.362 1.348 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NCCN1C[C@H](C)O[C@@H](C)C1 45523974 BFCOMXPNNGCIEW-RYUDHWBXSA-N 324.425 1.542 0 40 DDAB CCN1CCN([C@@H](C)CNc2nccc(C(F)(F)F)n2)CC1 59389427 QSJKSHCUOGGCSB-NSHDSACASA-N 317.359 1.933 0 40 DDAB Cc1ccc(C)c(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 59423287 MOJKBDYSDCCCEH-CYBMUJFWSA-N 310.419 1.043 0 40 DDAB CN1CC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 45838866 DLFCSRMNXPHQKP-ZETCQYMHSA-N 317.267 1.201 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 2653589 ADXRNJAFGQFLJD-INIZCTEOSA-N 303.362 1.962 0 40 DDAB CC(C)NC(=O)COC(=O)c1cc(Br)ccc1O 3513267 VKYLGYHEQIXTQS-UHFFFAOYSA-N 316.151 1.836 0 40 DDAB COc1ccccc1CNC(=O)c1cccc(-n2nnnc2C)c1 71286513 IBQCRFABCMBRKU-UHFFFAOYSA-N 323.356 1.909 0 40 DDAB Cc1cnc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cn1 48956799 WBFZUFIKYRZAGL-MRXNPFEDSA-N 324.384 1.879 0 40 DDAB NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 5089634 ICQDVWDAQHFRMC-UHFFFAOYSA-N 304.327 1.643 0 40 DDAB Cc1cn2cc(NC(=O)CCCNC(=O)C3CC3)ccc2n1 95393792 UXDNVZDDZQJIAJ-UHFFFAOYSA-N 300.362 1.888 0 40 DDAB C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007787 ZKYXWNQWTVIWJK-APPZFPTMSA-N 310.297 1.556 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCCCC1)C2=O 4308878 TUKUYSPIVTWMNM-GUYCJALGSA-N 321.421 1.890 0 40 DDAB COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H]1CCC(=O)N1 72907401 XJPFBBHCYCKHCY-RDBSUJKOSA-N 322.405 1.235 0 40 DDAB Nc1nc(COC(=O)c2ccncc2)nc(Nc2ccccc2)n1 5259154 AEQBAMLXQXWHCW-UHFFFAOYSA-N 322.328 1.949 0 40 DDAB CC(C)(C)c1cc(C(=O)NCCN2C(=O)CSC2=O)[nH]n1 65415499 NEZKETFDQWPGJN-UHFFFAOYSA-N 310.379 1.132 0 40 DDAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1 65515134 SQHVNISFMONEJO-RDBSUJKOSA-N 319.405 1.341 0 40 DDAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1cccnc1 5307695 OBUKSFWCZFLLOS-UHFFFAOYSA-N 310.309 1.883 0 40 DDAB biogenic Cc1cc(C(F)(F)F)nn1Cc1nc2c3cn[nH]c3ncn2n1 6412865 AMQZQVRGIOCJLU-UHFFFAOYSA-N 322.254 1.573 0 40 DDAB C[C@@H](CN(C)c1ccccc1)NC(=O)CCNc1ncccn1 65925328 GFISOZLOPGIEMV-AWEZNQCLSA-N 313.405 1.920 0 40 DDAB COc1cccc(C(=O)Oc2ccccc2P(=O)(O)O)c1 9340495 TVTJDXKWQDZFHW-UHFFFAOYSA-N 308.226 1.717 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 67272308 PMJNVGLYRJQOCM-UONOGXRCSA-N 316.467 1.048 0 40 DDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1cccnc1 9422571 VJVMAGAESAKASR-UHFFFAOYSA-N 317.740 1.842 0 40 DDAB O=C(Cc1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450428 HSFJKSZNDXKQFD-GOEBONIOSA-N 313.401 1.626 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC(c2ccccc2C)CC1 83607929 QRQGINKSNFVWCA-UHFFFAOYSA-N 310.419 1.250 0 40 DDAB CC(C)CCn1nc(C(=O)OCC(N)=O)c2ccccc2c1=O 7734744 DNHWMUGFOLJDHU-UHFFFAOYSA-N 317.345 1.085 0 40 DDAB C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc2ncccc12 95428013 SEVMVCXOMAKRPH-NWDGAFQWSA-N 322.386 1.005 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 71821062 SKQUIBATSLBETI-LBPRGKRZSA-N 302.378 1.019 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccco2)cc1 8274473 DBYBNJNHSLBFEM-UHFFFAOYSA-N 322.386 1.219 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCO[C@H](Cn3cncn3)C2)n1 70018250 WXVHVJRSHALPEV-NEPJUHHUSA-N 306.370 1.247 0 40 DDAB C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)cn1)n1cccn1 69350855 IARRNYHTGNQRDR-SNVBAGLBSA-N 321.768 1.590 0 40 DDAB COc1ccc(OCCC(=O)NCCc2nccn2C)cc1 69350208 LBPFYFAZLAGQJF-UHFFFAOYSA-N 303.362 1.557 0 40 DDAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(Cc2cnn(C)c2)C1=O 69484217 QDGCXVJLHJWETC-NSHDSACASA-N 312.329 1.472 0 40 DDAB Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=O)c(=O)n2c1 96517706 MJYJQVRYIMLXII-VXGBXAGGSA-N 301.346 1.429 0 40 DDAB Cc1cnn(C[C@@H](C)NCC(=O)Nc2cc(C(C)C)no2)c1 69632747 NPZUOOPRNRWXLP-GFCCVEGCSA-N 305.382 1.920 0 40 DDAB Cc1ccsc1CNC(=O)c1ccnc2c(C(N)=O)cnn12 95449143 HZJGPFIKGGUGGK-UHFFFAOYSA-N 315.358 1.128 0 40 DDAB Cc1cc(OCC(=O)Nc2ncn[nH]2)ccc1Br 18094184 VDSMXRFTXIUFFG-UHFFFAOYSA-N 311.139 1.893 0 40 DDAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](C(N)=O)C2)s1 9647041 NGFRZHGHBMDKOF-NSHDSACASA-N 308.403 1.743 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCCN(c3cccnn3)CC2)n1 69951972 OWQORRGNAXAELK-UHFFFAOYSA-N 314.393 1.029 0 40 DDAB Cc1cc(NC(=O)CCN2CC[C@@H](Oc3ccncc3)C2)no1 95428228 CVABAOLUEQVDCC-CQSZACIVSA-N 316.361 1.860 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cnn(C(C)(C)C)c1 97034181 IKDRLWCBTCNVCV-WDEREUQCSA-N 307.398 1.756 0 40 DDAB CCc1cc2c(N[C@H]3CCCN(CCO)C3=O)ncnc2s1 97095906 IEIAQGVKLHSYAD-LBPRGKRZSA-N 320.418 1.649 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)Oc1cccnc1)C2 72287279 ZJQKSYZXKYWLTB-STQMWFEESA-N 300.362 1.485 0 40 DDAB Cc1ccc(CNC(=O)[C@H](NC2CCOCC2)C(C)C)n1C 72304033 CVQUYZNREWTHHN-MRXNPFEDSA-N 307.438 1.743 0 40 DDAB CN1CC[C@@H](C(=O)N2CCO[C@H](c3ccccc3)C2)CC1=O 95948254 BFVFMPWEPCFGIU-CABCVRRESA-N 302.374 1.455 0 40 DDAB O=C(Nc1ccc2nncn2c1)c1cccc(-c2ncn[nH]2)c1 95992219 AYEVMSAEUXCTNO-UHFFFAOYSA-N 305.301 1.767 0 40 DDAB O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)N[C@H]1CCOC1 95977560 ZSGKINXZVPZRGL-JOYOIKCWSA-N 302.733 1.601 0 40 DDAB CCc1n[nH]c(=O)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1CC 89282512 HIBGKXPSDLGYAY-UONOGXRCSA-N 319.405 1.678 0 40 DDAB CCn1cc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cn1 89305794 FTSRTJTUSBICAA-OAHLLOKOSA-N 320.780 1.687 0 40 DDAB Cc1cc(C)c(CNC(=O)C2CCN(CC(C)C)CC2)c(=O)[nH]1 75126041 HMEIPRZUCZFZBB-UHFFFAOYSA-N 319.449 1.976 0 40 DDAB COC(=O)[C@H]1CN(Cc2cn3c(C)cccc3n2)C[C@@H](C)O1 89689081 DVPGCNPDLDNJFI-TZMCWYRMSA-N 303.362 1.405 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C1CC1 23111350 HPQWLASRESVLPD-SWLSCSKDSA-N 322.430 1.754 0 40 DDAB Cc1cc(-c2ccc(=O)n(CCNC(=O)C3CC3)n2)c(C)o1 72342422 JNKZWBFISKLPKN-UHFFFAOYSA-N 301.346 1.646 0 40 DDAB CC(C)(C)c1n[nH]cc1C(=O)N1CCC[C@H](N2CCNC2=O)C1 550023000 BOGIVKDWRAXESE-NSHDSACASA-N 319.409 1.337 0 40 DDAB COc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 409214469 XMZGHLOHCVHPPX-PLNGDYQASA-N 322.317 1.180 0 40 DDAB COc1cnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1 555511678 RDGBEJQERMHSSO-UHFFFAOYSA-N 307.331 1.141 0 40 DDAB Cc1cccc(CC(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)c1 521475311 JWCTUTVREIAVJY-KRWDZBQOSA-N 314.389 1.183 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1F 30323662 GCLOCZZIBJOWFN-UHFFFAOYSA-N 313.354 1.389 0 40 DDAB CN(C)CCN1CC[C@@H]2[C@H]1CCN2C(=O)Cc1cccs1 306138766 SGQUIUBWPUKNSW-HUUCEWRRSA-N 307.463 1.527 0 40 DDAB Cc1nccc(N2CCC[C@](C)(c3[nH]ncc3C(N)=O)C2)n1 72388734 HZYJBKNJGVTYLN-HNNXBMFYSA-N 300.366 1.165 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC2CC2)CC1 72254204 NQCKVTUXAPIKJQ-UHFFFAOYSA-N 313.423 1.398 0 40 DDAB O=[S@](CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 69528265 JRZMMLVXWCKWRV-NYHFZMIOSA-N 319.430 1.392 0 40 DDAB Cc1nc(Nc2ncccn2)cc(C2CN(c3ccncn3)C2)n1 72382772 MYWCHCYOXJWVES-UHFFFAOYSA-N 320.360 1.712 0 40 DDAB CC(C)c1nc([C@H](C)NC(=O)c2cc3n(n2)CCCC3)n[nH]1 566659771 XRCWDFCORQXGEU-JTQLQIEISA-N 302.382 1.952 0 40 DDAB CCCn1cc(N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cn1 186322342 PVQRHEQDPCFYSS-CYBMUJFWSA-N 302.382 1.634 0 40 DDAB Cc1n[nH]cc1C(=O)N1CCO[C@H](c2ccc(N(C)C)cn2)C1 72388057 MVOOQJPVFYFHHO-HNNXBMFYSA-N 315.377 1.393 0 40 DDAB CN(C(=O)OCc1ccccc1)C1CCN(CC(=O)O)CC1 79413678 WUIXMTPSUWZSFE-UHFFFAOYSA-N 306.362 1.804 0 40 DDAB CS(=O)(=O)CCSCc1nccn1CC(F)(F)F 78614972 NRMTZVUFVFXWRH-UHFFFAOYSA-N 302.343 1.723 0 40 DDAB Cc1cccnc1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C 79358118 LVRJMRYKNJMQHY-CHWSQXEVSA-N 310.419 1.638 0 40 DDAB COc1cnccc1[C@H](C)NC(=O)c1conc1C(C)(C)N 564667399 KTXNIUMETJGXNO-VIFPVBQESA-N 304.350 1.763 0 40 DDAB Cc1cnc(C)c(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 195563876 GDBIIDOIUSSCAX-LLVKDONJSA-N 316.327 1.988 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@H](C)C1 225425483 ACRJSZSXUDYHHX-OLZOCXBDSA-N 301.390 1.695 0 40 DDAB O[C@H]1CCCN(c2ncncc2I)C1 83813841 RTTADHUWQJHFNH-ZETCQYMHSA-N 305.119 1.042 0 40 DDAB CC[C@@H](O)CN(CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccccc1 96424748 BLMRDTHFNHOYMO-HLLBOEOZSA-N 320.433 1.900 0 40 DDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)N1CCCC1)C2 96198327 JRJLPUHTCHJIOS-OAHLLOKOSA-N 318.421 1.962 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)Cc2cnccn2)cc1N(C)C 96472656 MFHODQHLHCTMFF-UHFFFAOYSA-N 320.418 1.672 0 40 DDAB CCOCCCNC(=O)c1nnn(Cc2ccccc2)c1OC 96183472 QFJAYKWPRZOOLD-UHFFFAOYSA-N 318.377 1.491 0 40 DDAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1 96472808 XCPOMRNHGQRCLI-JSGCOSHPSA-N 313.423 1.655 0 40 DDAB COCCO[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccccc1 96261310 PGDMQAJVVWOAIV-LSDHHAIUSA-N 313.419 1.295 0 40 DDAB CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(Cc3ccncc3)C2)C1 96208556 LOXOWQVRVZSLCX-DOTOQJQBSA-N 318.421 1.476 0 40 DDAB NC(=O)[C@H]1CCCN(CCCNC(=O)/C=C/C2CCCCC2)C1 96410101 AOPFKUAJMCWKSW-SCOAYWHSSA-N 321.465 1.827 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)on1 257344863 ZYYHVBKVNIBLGW-UMVBOHGHSA-N 307.394 1.481 0 40 DDAB COc1cc2c(cc1OC)CCN([C@@H]1CCCN(C)C1=O)CC2 539803315 HAHCMQIIEVNPAZ-OAHLLOKOSA-N 318.417 1.725 0 40 DDAB CCCc1nnsc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257297319 RGTBLXVZSDRFPF-FZMZJTMJSA-N 311.407 1.247 0 40 DDAB CNc1cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1 257236355 HBTXKLFYLNOGEF-AWEZNQCLSA-N 324.450 1.643 0 40 DDAB Cc1ncc(-c2nccnc2C[C@H]2CCCN(CCO)C2)n1C 257338376 YXCCOPCCVJKIOF-CQSZACIVSA-N 315.421 1.432 0 40 DDAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2CCO)N1 257274330 NKMYPEHQOXUSLH-PMPSAXMXSA-N 306.381 1.992 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)n1 257304079 SJZDAOSDXXOIMV-OAHLLOKOSA-N 315.377 1.198 0 40 DDAB Cn1cc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)cn1 257230466 GCMSCAZXVYXXTJ-HNNXBMFYSA-N 303.337 1.643 0 40 DDAB O=C(Cc1ccsc1)N1CCN(C(=O)c2ccoc2)CC1 25235165 ZVDJZYDLCVRIAF-UHFFFAOYSA-N 304.371 1.868 0 40 DDAB COc1ncc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1 85557362 UUWIQPHFHVBHBE-UHFFFAOYSA-N 323.374 1.911 0 40 DDAB C[C@H](C[C@@H]1COCCN1)Nc1cccc(N2CCCC2=O)c1 262348585 VAWZQRCOMPPLID-UKRRQHHQSA-N 303.406 1.992 0 40 DDAB O=C(c1cc[nH]n1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575405297 RGCVVZUVKBIFBW-AWEZNQCLSA-N 323.356 1.710 0 40 DDAB O=C(c1cccc(F)c1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093757 CPPCGAGAZNGLAW-CQSZACIVSA-N 318.392 1.745 0 40 DDAB NC(=O)CCN(C(=O)c1cccc2c1OCO2)c1ccccc1 69615726 CGSYSHPTFZTQKK-UHFFFAOYSA-N 312.325 1.938 0 40 DDAB COCCN1CC[C@]12CCCN(C(=O)c1csc(C)n1)C2 585102037 OLHGKXUQDUBSFJ-HNNXBMFYSA-N 309.435 1.778 0 40 DDAB COc1cccc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)c1 585093451 XKSOWQWQASECSM-HNNXBMFYSA-N 324.327 1.683 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cc(C2CC2)on1 585288211 RMNKUYGMKPSUOS-BNOWGMLFSA-N 310.350 1.053 0 40 DDAB C=CC(=O)N1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 585292635 PYDCVUQTOPWOIF-LLVKDONJSA-N 315.402 2.569 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 585113095 ZROGZYJKULHPKT-CYBMUJFWSA-N 304.419 1.946 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3COCCO3)cc2)n1 585139849 LOGMEWCMASIECF-OAHLLOKOSA-N 301.346 1.843 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)/C=C/c1cccc(F)c1 585286995 QIFCOUVMSNHNNP-GNTUDQNXSA-N 323.364 1.726 0 40 DDAB Cc1cccc(-c2noc(CNC3(CO)CCOCC3)n2)c1 69897382 ZBPNNOHCXJSLHA-UHFFFAOYSA-N 303.362 1.676 0 40 DDAB CCN1C[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O 32297936 BNVROIKNKFNMQQ-GFCCVEGCSA-N 302.378 1.489 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@H]1Cc2ccccc2O1 71825191 UCBQMRVJWNXOTG-OAHLLOKOSA-N 301.390 1.586 0 40 DDAB O=C1C[C@@H](C(=O)NC2CCCC2)[C@H](C(=O)NC2CCCC2)C1 75109865 KYAXAACVGMSGQF-HUUCEWRRSA-N 306.406 1.699 0 40 DDAB N[C@@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 95996567 CHMFFVWNYDQHKQ-MRXNPFEDSA-N 314.364 1.569 0 40 DDAB CCOC(=O)CCCCN1CCc2ccccc2[C@H]1C(N)=O 96417423 JHDHNKQUCRSYSB-INIZCTEOSA-N 304.390 1.805 0 40 DDAB C[C@H](c1cccnc1)N1CCN(Cc2cc(=O)c(O)co2)CC1 96424271 OOTYTWPBFNQTHX-CYBMUJFWSA-N 315.373 1.619 0 40 DDAB C[C@H](NCC(=O)NCC(F)(F)F)[C@H]1COc2ccccc21 97112669 NLCJCPRIDRUGHA-GXSJLCMTSA-N 302.296 1.819 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 88375278 IOONVZPCAXCALZ-LLVKDONJSA-N 318.156 1.848 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCCC12OCCO2 95431180 JCGSAPUCRTURKR-HNNXBMFYSA-N 321.421 1.771 0 40 DDAB CCc1c(C)nc(SCC(=O)NCc2ccco2)[nH]c1=O 5021616 MLHQFXAGTQLEEK-UHFFFAOYSA-N 307.375 1.642 0 40 DDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnn2cccnc12 12183218 RCBKAVASCZKGJJ-NSHDSACASA-N 321.344 1.293 0 40 DDAB O=C(O)C[C@H](NC(=O)OCc1ccccc1)[C@H]1CCCNC1 12648416 VFQOFJQVKVEXIY-KBPBESRZSA-N 306.362 1.756 0 40 DDAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)CC1 12783120 MQRXXIMQKNQZGY-HNNXBMFYSA-N 318.421 1.607 0 40 DDAB O=C(O)c1ccc(NC(=O)c2ncccc2C(=O)O)cc1O 16386021 TXEGCFHCQDYIIR-UHFFFAOYSA-N 302.242 1.436 0 40 DDAB CC(=O)N1CCc2cc(NC(=O)Cn3nc(C)nc3C)ccc21 19285804 BORGRYOMJIQOKU-UHFFFAOYSA-N 313.361 1.443 0 40 DDAB CCn1ccc(C(=O)N2CCC[C@]2(C)C(=O)NC2CCCC2)n1 19746507 MKZLIYKSIJDCDF-QGZVFWFLSA-N 318.421 1.957 0 40 DDAB CCS(=O)(=O)NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 9038130 LYYZCNFAZAQYDT-GFCCVEGCSA-N 314.382 1.114 0 40 DDAB COc1ncccc1C(=O)N1[C@H]2CC[C@H]1CC(S(C)(=O)=O)C2 101116863 ROTFIWUIQHGTLW-QWRGUYRKSA-N 324.402 1.270 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)NCCc1cscn1 36104191 GNZLKQSAJUKVBZ-UHFFFAOYSA-N 312.416 1.981 0 40 DDAB CCN(CC)Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 232320262 HTDVRGZYUPJGFH-UHFFFAOYSA-N 307.243 1.782 0 40 DDAB CCOC(=O)[C@@H](C)n1cnc2c(nnn2-c2ccccc2)c1=O 4266728 VDQLSJIUSRYPMU-SNVBAGLBSA-N 313.317 1.101 0 40 DDAB COc1cccc(NC2(C(=O)NC3CC3)CCN(C)CC2)c1 2055750916 MKYOXNJBAVFBDP-UHFFFAOYSA-N 303.406 1.850 0 40 DDAB C[C@@H]1CCCCN1CCn1c(S)nc2ncccc2c1=O 20618243 NQDIGCNMTDLFPU-LLVKDONJSA-N 304.419 1.955 0 40 DDAB Cn1ncc2c(NC[C@@](C)(O)Cc3ccsc3)ncnc21 1775972052 AIHIFPYEKQFGHS-AWEZNQCLSA-N 303.391 1.830 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 25527581 TXMSJVOLYLXXTC-UHFFFAOYSA-N 319.317 1.849 0 40 DDAB O=C([C@H]1CCc2ccccc2O1)N1CC(Nc2cccnn2)C1 618256630 VCHMIHHSRTUPPZ-OAHLLOKOSA-N 310.357 1.493 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1 77123274 YNBHAZNJVKBACG-UHFFFAOYSA-N 324.358 1.291 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1F 30335234 MCHZTCCYEKQBTC-BXKDBHETSA-N 303.355 1.680 0 40 DDAB NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCCC2 81399 RAQMQURPSVUEQI-UHFFFAOYSA-N 307.419 1.760 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccoc2)cc1 40476682 VMTLLJAHONEPPP-UHFFFAOYSA-N 308.359 1.259 0 40 DDAB O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1CCO 20716408 VCTDQNOBMIAFNM-NSHDSACASA-N 301.346 1.300 0 40 DDAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)no1 21768913 VLLPPSUIPZMKJR-UHFFFAOYSA-N 309.347 1.486 0 40 DDAB CC(C)(C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 32904506 BASWCGHPOGLEQM-UHFFFAOYSA-N 315.373 1.165 0 40 DDAB CC(=O)NCCCC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 41838223 IOEBFUTUWASGDI-UHFFFAOYSA-N 315.377 1.739 0 40 DDAB CN(C)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cn1 22395628 OUQYBKVHNSBMGS-UHFFFAOYSA-N 312.329 1.694 0 40 DDAB CN1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 76427650 AXAYULONHNHEJF-UHFFFAOYSA-N 304.362 1.825 0 40 DDAB O=C(CCc1nccs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78789408 WDOMNMJGWAINDL-OLZOCXBDSA-N 309.435 1.133 0 40 DDAB Cc1nccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 79816850 JOQXODSDCWWKHZ-STQMWFEESA-N 307.419 1.912 0 40 DDAB CCC(CC)[C@@H](CNC(=O)c1cnccn1)N1CCOCC1 22755287 NZNCAAVVNBRHQE-OAHLLOKOSA-N 306.410 1.343 0 40 DDAB C[C@@]1(c2cccs2)NC(=O)N(CC(=O)N2CCCC2)C1=O 53863469 VKXOVQWIFNWXBW-AWEZNQCLSA-N 307.375 1.138 0 40 DDAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 3315424 CZTIXGMQKVHRGA-UHFFFAOYSA-N 318.354 1.951 0 40 DDAB COCCCNC(=O)c1cn(Cc2c(F)cccc2F)nn1 4985635 GPUMHROAZATLEK-UHFFFAOYSA-N 310.304 1.371 0 40 DDAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1O 966719 JYPGFVKSBHLKEF-BJMVGYQFSA-N 309.299 1.522 0 40 DDAB COc1cc(S(=O)(=O)N[C@H](C)C(C)C)ccc1NC(C)=O 7212480 RRRCOELGBUOZBF-SNVBAGLBSA-N 314.407 1.976 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(S(C)(=O)=O)cc1 42533354 SYECRAVWJGTEQJ-LLVKDONJSA-N 307.375 1.105 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)c2ccc(O)nn2)CC1 23638261 MDDJCLMLLQRRMV-UHFFFAOYSA-N 312.373 1.449 0 40 DDAB Cc1nn(C)c(C)c1CN(C)c1nc(N)nc2c1nc(C)n2C 57279162 WITKYEDBRAKNTM-UHFFFAOYSA-N 314.397 1.241 0 40 DDAB c1cnc(N2CCC[C@H](NCc3cccc4c3OCO4)C2)nc1 42797450 MPODMOHOUKEYSH-AWEZNQCLSA-N 312.373 1.964 0 40 DDAB NC(=O)CCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 43111251 KGGVRYCZJPZHCD-UHFFFAOYSA-N 307.737 1.990 0 40 DDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)n1cncn1 106574670 XXPVBKNZDCASHZ-IPYPFGDCSA-N 300.362 1.828 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@]1(C(=O)O)CCSC1 43509807 UAJLGABUNUSRKU-AWEZNQCLSA-N 311.407 1.046 0 40 DDAB CCOC(=O)C1=C(CN2CCC[C@@H]2C2CCCC2)NC(=O)NC1 55927872 AWPLGEKBHVNPIU-OAHLLOKOSA-N 321.421 1.771 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccncc1 28576451 XCBVUBCUXVTSBI-LLVKDONJSA-N 310.317 1.463 0 40 DDAB CC(C)NC(=O)CN(C)C[C@H](O)COc1ccc(Cl)cc1 27256506 ORFIDMOZQZLLLO-ZDUSSCGKSA-N 314.813 1.536 0 40 DDAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](C)C(N)=O 48112062 OTWGEKGDHTWGHN-SECBINFHSA-N 321.377 1.785 0 40 DDAB Cn1c(=O)n(CC(=O)NOCc2ccccc2)c2ccccc21 48272681 ORSJTOOBMKMDJX-UHFFFAOYSA-N 311.341 1.588 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C1 71144633 QXKOMGSTTXZIJA-LLVKDONJSA-N 302.827 1.878 0 40 DDAB COc1cc(C(=O)OCC2CC2)cc(OC)c1OCC(N)=O 58170942 SQDCGVOUPOKBJC-UHFFFAOYSA-N 309.318 1.135 0 40 DDAB NS(=O)(=O)c1c(F)cccc1I 59813163 IIFLVEJGCDJJTJ-UHFFFAOYSA-N 301.080 1.078 0 40 DDAB O=C(Nc1ncccn1)c1ccc(S(=O)(=O)C(F)F)cc1 21210130 NMTWDJWHLMZGCX-UHFFFAOYSA-N 313.285 1.725 0 40 DDAB CCCO[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 84756730 CEPPZTUDMYLCHI-ZDUSSCGKSA-N 304.390 1.895 0 40 DDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cccc(F)c2)CC1 58394366 WWGFADRDHBXURE-OAHLLOKOSA-N 319.380 1.380 0 40 DDAB O[C@H](COCc1ccccc1)Cn1nnc(-c2cccnc2)n1 58330954 JOQKSTIDDUAMMI-HNNXBMFYSA-N 311.345 1.313 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnccn2)c1C 3395865 NXRHTXPVGXHPJD-UHFFFAOYSA-N 301.302 1.664 0 40 DDAB Cc1noc(C)c1CN(C)c1cc(N2CCC[C@H]2CO)ncn1 106929008 BWXQNYZINDBCBB-ZDUSSCGKSA-N 317.393 1.679 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CCCN(C(N)=O)C2)n1 48332639 DXYGZMUBXUDLMR-RISCZKNCSA-N 321.425 1.043 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H]1Cc2ccccc2O1 48302653 KMPPILBBZPOLAY-TZMCWYRMSA-N 300.362 1.575 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccccc21 36384658 KBYWSVIGZIUWGP-OAHLLOKOSA-N 323.352 1.464 0 40 DDAB CCC[C@@H](C)NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 27462547 TZWUIPOTZLWIDA-SNVBAGLBSA-N 324.377 1.486 0 40 DDAB O=C1C[C@H]2CCC[C@H](CN1)N2CC(=O)NCc1ccccc1 100463502 YCNGFDAIUMNDNI-HUUCEWRRSA-N 301.390 1.046 0 40 DDAB Nc1nc(NCCCN2CCOCC2)cc(-c2cccs2)n1 28366482 GXBVVVKCMUCSDG-UHFFFAOYSA-N 319.434 1.922 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc2ccccc2c1 12869544 PKWIQKOYQBKURL-GFCCVEGCSA-N 323.352 1.567 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C(=O)O 3407957 MBVQFOUAWVGZHK-YPMHNXCESA-N 324.377 1.650 0 40 DDAB COS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1 29786627 YVWBLOGFTFHGMC-HUUCEWRRSA-N 306.387 1.909 0 40 DDAB COCCn1nc(C(=O)Nc2nc(C(C)C)cs2)ccc1=O 29776247 NPRYUWUGJOUQLP-UHFFFAOYSA-N 322.390 1.722 0 40 DDAB O=C(CSc1nc2c(c(=O)[nH]1)CCC2)NCc1ccccc1 11902859 DNKNMUYZMPEECR-UHFFFAOYSA-N 315.398 1.667 0 40 DDAB CC1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 23053348 YGPMUQURWMKWGS-CQSZACIVSA-N 304.390 1.675 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)N=C(O)CO3)[C@H]1C(=O)O 71284471 ZAIOFDPMSKXRFI-NEPJUHHUSA-N 304.302 1.962 0 40 DDAB O=C(Nc1ccc(F)c(-n2cccc2)c1)N(CCO)CCCO 95409307 DTVBUPAVGUJEAA-UHFFFAOYSA-N 321.352 1.825 0 40 DDAB Cc1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1 13552729 JFLBCGIXGFPSMG-UHFFFAOYSA-N 301.331 1.195 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn21 13691137 ZKYZQJSBUSLLBQ-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c(C)nn(C)c1C)CC2 95400730 VJHZCVBCVZKMOO-UONOGXRCSA-N 321.421 1.429 0 40 DDAB CN(CCN(C)c1ccccc1)C(=O)C(=O)Nc1cccnn1 95461360 CRQQGMUSTRCNRO-UHFFFAOYSA-N 313.361 1.010 0 40 DDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N(C)C1CCCCC1 5229298 GCJYHVONZRYMRW-SECBINFHSA-N 309.439 1.913 0 40 DDAB COc1cc(C(=O)O[C@H](C)C(N)=O)cc(Br)c1O 14124891 IGFYNACSCXHROG-RXMQYKEDSA-N 318.123 1.194 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)on1 14142465 UVYJBODQVDLTCD-SSDOTTSWSA-N 309.351 1.322 0 40 DDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 5477981 QQXWXHUFZLQSPK-SNVBAGLBSA-N 323.823 1.148 0 40 DDAB CCCCn1nnnc1CNC[C@H]1CCCN1c1cccnn1 71859863 RYHREFJSFBPWSZ-CYBMUJFWSA-N 316.413 1.022 0 40 DDAB CCOc1ccc(CCC(=O)N2CCN(C[C@H](C)O)CC2)cc1 71871360 TYZOGGPKZGQBTC-HNNXBMFYSA-N 320.433 1.543 0 40 DDAB c1cnnc(N2CCC[C@H]2CNCc2nc(C3CC3)no2)c1 71859901 MXCNUNXYSYVVBP-LBPRGKRZSA-N 300.366 1.496 0 40 DDAB Cc1nc(C)c(C(=O)N2CCCN(c3cccnn3)CC2)s1 71860330 HRRXOTCZLZAZPM-UHFFFAOYSA-N 317.418 1.902 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)Cc2csc3ccccc23)CC1 71871289 XCTNRJCMSBCYJY-CYBMUJFWSA-N 318.442 1.969 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1CCO[C@H](Cn2cccn2)C1 69436967 MHWYUGGSTGLMBP-NEPJUHHUSA-N 321.406 1.068 0 40 DDAB O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834997 KERKHPLQWBMLGJ-JKSUJKDBSA-N 313.357 1.400 0 40 DDAB Cn1c(CN[C@H]2CCc3ncnn3C2)nc2cc(Cl)ccc21 69742469 FKZIIAROBIOAHK-NSHDSACASA-N 316.796 1.923 0 40 DDAB COCCCNC(=O)CN(C)CCOC1CCCCCC1 69951229 NQUDLELRKKQKMF-UHFFFAOYSA-N 300.443 1.810 0 40 DDAB CN(C)c1nccc(N(C)C2CCN(C[C@H]3CCOC3)CC2)n1 95963233 VABQPYNHJYSWQS-CQSZACIVSA-N 319.453 1.480 0 40 DDAB CC(=O)N1CCN(C(=O)CCNc2ncccc2Cl)CC1 97013873 KRCPQGFEWFQMPQ-UHFFFAOYSA-N 310.785 1.228 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@H](O)C1 95977801 QNFWEWPNIGAFJN-KGLIPLIRSA-N 321.396 1.961 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1 84205396 UJTIFYFPEIORAL-LSDHHAIUSA-N 308.447 1.657 0 40 DDAB CCN(C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(C)C 95975583 XCQVIYKSOORJGN-NSHDSACASA-N 313.423 1.835 0 40 DDAB COC(=O)CN1CCC(NC[C@H]2Cc3ccccc3O2)CC1 97162187 FNQVSUFXSJCBFD-OAHLLOKOSA-N 304.390 1.217 0 40 DDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCNC2)n1 72343418 PAKSTNHCKBJDJF-ZDUSSCGKSA-N 311.389 1.385 0 40 DDAB CCCS(=O)(=O)[C@@H](C)C(=O)NCC1(C(=O)OC)CCCC1 72307206 YDFRYIMIQQWMMN-NSHDSACASA-N 319.423 1.049 0 40 DDAB Cn1cc(-c2nc(C(=O)NCC3=COCCO3)cs2)cn1 72301386 AIFDWHDFXQNLEV-UHFFFAOYSA-N 306.347 1.162 0 40 DDAB Cc1ccc(-n2ccnc2)c(C(=O)N(C)CC(C)(CO)CO)c1 97236634 JJMZMIPKAQPMPM-UHFFFAOYSA-N 317.389 1.244 0 40 DDAB CCCc1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)[nH]n1 95980329 UHLDYSNJUFQDBT-AWEZNQCLSA-N 317.393 1.916 0 40 DDAB CCSC[C@H](C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 85824101 UAVHHAHWCZRUSI-STQMWFEESA-N 308.513 1.731 0 40 DDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CCOC3)C2)no1 89289999 RZRXEEGMZLOTEB-KBPBESRZSA-N 322.409 1.091 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@@H](O)c2cc3ccccc3s2)N1 89873096 IDIMNABZMSUKTR-GHMZBOCLSA-N 304.371 1.330 0 40 DDAB COc1cccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c1O 409123724 IHVFXTZIWLDFCK-UITAMQMPSA-N 309.299 1.522 0 40 DDAB Cn1ccnc1CNC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110661575 BQMYBJMHHRZLLK-KKUMJFAQSA-N 317.437 1.436 0 40 DDAB CCOC(=O)CN1CCO[C@@H](COc2ccc(OC)cc2)C1 217491934 WDISSMSIIAUDEN-OAHLLOKOSA-N 309.362 1.338 0 40 DDAB Cc1noc(C)c1[C@@H](C)CC(=O)N(C)CCN1CCCC1=O 533123652 SOJLEYWBGHRAMW-NSHDSACASA-N 307.394 1.866 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc2c(c1)CCC2 77937117 CRGXIRNHLONQDV-ZBFHGGJFSA-N 316.401 1.781 0 40 DDAB COC(=O)c1ccccc1NC(=O)C1(NC=O)CCCCC1 35170731 ZZQPOPDSRLRRTD-UHFFFAOYSA-N 304.346 1.861 0 40 DDAB Cc1ccc2c(CC(=O)N3CCO[C@](C)(C(N)=O)C3)coc2c1 72379790 XDQBCIAOVFZYNP-KRWDZBQOSA-N 316.357 1.387 0 40 DDAB NC1=NC(=O)[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 71974903 ISTATDJUPAABHC-MRXNPFEDSA-N 301.296 1.847 0 40 DDAB COc1ccc(CCCC(=O)N2CCS(=O)CC2)cc1F 84599319 IKXGJWGKWCAUJY-UHFFFAOYSA-N 313.394 1.748 0 40 DDAB C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2ccoc2)CC1 225398313 JMLVEPQFAOFKPM-LLVKDONJSA-N 316.365 1.120 0 40 DDAB O=C1CN(C(=O)NC2C[C@@H]3C[C@H]3C2)CN1CCC(F)(F)F 333406739 OYTBZNUCEVFNLT-IUCAKERBSA-N 305.300 1.549 0 40 DDAB CN(Cc1noc(-c2ccccc2)n1)C[C@H]1CCS(=O)(=O)C1 96419655 SURXWJDPKCWXKX-GFCCVEGCSA-N 321.402 1.603 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCOC[C@H]1CCCO1)C2 97198902 AYDSJERCHJHXFF-ZIAGYGMSSA-N 307.394 1.208 0 40 DDAB Cc1nc(CN2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cs1 96245984 JNXUXXHGNKASSU-KGLIPLIRSA-N 317.418 1.565 0 40 DDAB CN1CC[C@]2(COCCN(C(=O)CCc3ccccc3)C2)C1 96201954 DHSRCWFPMHFYMB-SFHVURJKSA-N 302.418 1.800 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)c(F)c1 96420343 WPUMUKVUCDIIOK-SMDDNHRTSA-N 308.353 1.740 0 40 DDAB Cc1nc2c(cc1C(=O)O)CCN(C(=O)c1cccn1C)CC2 96189562 KBJINMVZDAENLD-UHFFFAOYSA-N 313.357 1.668 0 40 DDAB CC(=O)N[C@H](C(=O)N[C@H]1CCc2nc(C)cn2C1)C1CCCC1 97198813 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DDAB O=c1oc2ccccc2n1-c1cnc(C[C@H]2CCCNC2)cn1 257342891 ZQMUTPZNRZXVTQ-GFCCVEGCSA-N 310.357 1.916 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cccn2C)C1 257251423 JQRZCLXATURYCT-CYBMUJFWSA-N 313.405 1.952 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cnc(-c2ccnn2C)cn1 257333633 YCJHRAOVRRNWRM-CQSZACIVSA-N 301.350 1.187 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 257269577 MQNTXSPXJVGQKG-SNVBAGLBSA-N 320.374 1.469 0 40 DDAB Cc1ncoc1C(=O)N1CCOC[C@@H]1CCc1cnccn1 257216974 CWXZXTJEUNKBSK-ZDUSSCGKSA-N 302.334 1.247 0 40 DDAB O=C1NC(=O)/C(=C/N2N=C(c3cccs3)C[C@H]2C(=O)O)S1 256027876 HWTFEDFMXQTGHE-VYVBZAQUSA-N 323.355 1.436 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1Cl 253576882 WJVOVYIIUWNACC-FOCJUVANSA-N 319.744 1.454 0 40 DDAB Cn1cnc(C(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)c1 257309786 UCJNTSUCCBHSTJ-CQSZACIVSA-N 310.361 1.830 0 40 DDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCNC1 257334183 YEXGIVFSKSJWKJ-JTQLQIEISA-N 305.403 1.749 0 40 DDAB Nc1nnc(CNC(=O)c2ccc(N3CCCCC3)cc2)o1 276684750 WQZQQKTXUNXSFR-UHFFFAOYSA-N 301.350 1.572 0 40 DDAB Cc1cccc(CN2CCC[C@@](O)(CCC(=O)N(C)C)C2)n1 585276868 SDQLCIQHEKNURE-QGZVFWFLSA-N 305.422 1.585 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CC1 585140601 HRHPCPQLFPCSGV-MGPQQGTHSA-N 304.394 1.065 0 40 DDAB COc1ccccc1C(=O)N1CCSC[C@H]1c1nn[nH]n1 585139984 ODNVOTOMLJHJFH-JTQLQIEISA-N 305.363 1.139 0 40 DDAB COCCN(Cc1cccnc1)C(=O)NCc1cscn1 69822593 PLBCGFPDIHDDRI-UHFFFAOYSA-N 306.391 1.896 0 40 DDAB O=C(CCc1nc(C2CC2)no1)NCc1ccc2c(c1)OCO2 71916035 BMSSKDIRRZRVNC-UHFFFAOYSA-N 315.329 1.925 0 40 DDAB Cn1ncc2c(N3CCN(Cc4cscn4)CC3)ncnc21 55376991 BAVQTJUPMHOLHT-UHFFFAOYSA-N 315.406 1.142 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73991112 WRTTZHXZPXKYEC-QLFBSQMISA-N 307.438 1.473 0 40 DDAB CN(C)S(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984252 GLLQLMVLKNOFDM-NEPJUHHUSA-N 304.799 1.566 0 40 DDAB Cc1cc(Br)ccc1CC(=O)NC(C)(CO)CO 97098080 IYJQVFKDIXZWTB-UHFFFAOYSA-N 316.195 1.160 0 40 DDAB O=C(COC(=O)/C=C/c1ccco1)NC(=O)NCc1ccco1 3388160 ONLIYKHJBALVFN-AATRIKPKSA-N 318.285 1.455 0 40 DDAB CCc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1 8083796 UXHHHYIDWMGHSO-WQLSENKSSA-N 304.371 1.480 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(SC)cc2)NC1=S 8092003 SGFDWVWMGVOFDI-XFFZJAGNSA-N 322.411 1.639 0 40 DDAB CNC(=O)[C@]1(C)CCCN(C(=O)c2cnn3cc(C)cnc23)C1 19746657 BVQBGWNBNAITPV-MRXNPFEDSA-N 315.377 1.026 0 40 DDAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 101273900 JJZGSVCJIIMRSC-LBPRGKRZSA-N 323.370 1.623 0 40 DDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccno2)C1 225501981 KYTVBWBQBLIPIQ-LLVKDONJSA-N 317.349 1.214 0 40 DDAB Cc1ccc(N2C[C@H](NC(=O)N3CCOCC3)CC2=O)cc1C 5187445 JVDPWUVJFIUJQQ-CQSZACIVSA-N 317.389 1.451 0 40 DDAB Cn1cncc1CN1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 643914322 ORIDWVPJBCYELI-PBHICJAKSA-N 303.381 1.985 0 40 DDAB CN(C)CCCN[C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1O 12146522 ANMHCNHOHYLQTE-IAGOWNOFSA-N 309.429 1.302 0 40 DDAB CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1ccco1 6851331 SKEZYAUTXUWFQC-ZETCQYMHSA-N 309.351 1.234 0 40 DDAB CCn1c(C)cc(C(=O)COC(=O)c2ccc[nH]c2=O)c1C 11424559 JIYNOOPSVSTPGS-UHFFFAOYSA-N 302.330 1.853 0 40 DDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CC4)C[C@@H]3C2)nc(O)c1F 1888849849 AYEMSHDPSKTJEC-GHMZBOCLSA-N 320.368 1.188 0 40 DDAB Cn1ncc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21 1889134413 FPHBZPJOFKYNJN-UHFFFAOYSA-N 303.757 1.350 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2cc3ccc(F)cc3[nH]2)CCO1 1848351987 IAILMSNEHYSHBG-INIZCTEOSA-N 319.336 1.284 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1COc2ccccc2O1 22967276 NSZYDCJFLICXAA-CYBMUJFWSA-N 315.373 1.536 0 40 DDAB C[C@H](C(=O)N1CCC2(CC1)OCCO2)n1cnc2ccccc21 32914470 LVLTXPHNFOSOOU-CYBMUJFWSA-N 315.373 1.963 0 40 DDAB C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 93467942 IBPZSXPJZASLOK-UWVGGRQHSA-N 305.346 1.889 0 40 DDAB COCc1ccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OC)cc1 2055745989 XNPGRAIWMBDYTK-ARFHVFGLSA-N 305.374 1.851 0 40 DDAB CNC(=O)[C@@H]1C[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2N1C 2055715763 HQCDGDVEWJXFPZ-UGFHNGPFSA-N 309.360 1.215 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NCCCCCC(=O)O 40545134 IKORNXHMKIVDPX-UHFFFAOYSA-N 319.354 1.758 0 40 DDAB CC(C)(C)OC(=O)N1CCn2c(nc(C(=O)O)c2Cl)C1 30678285 DKAJUVQRVUHWJW-UHFFFAOYSA-N 301.730 1.985 0 40 DDAB CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 83233 WRRKVDXQYFFVMS-ZDUSSCGKSA-N 321.402 1.243 0 40 DDAB CN(C)C(=O)N1CCC[C@@H](C(=O)NCCc2cccs2)C1 40513596 JDRNANDKIQTWAT-GFCCVEGCSA-N 309.435 1.800 0 40 DDAB Nc1nccnc1C(=O)N1CCCN(Cc2cccs2)CC1 40514242 HSJGIMDCIOBXDY-UHFFFAOYSA-N 317.418 1.468 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)NCCc1ccccn1 21183707 MFUXNNFJBHXPIX-UHFFFAOYSA-N 314.370 1.212 0 40 DDAB O=C(NCCCn1cnc2ccccc2c1=O)c1ccncc1 20733830 CGZMKMDPGYTQMV-UHFFFAOYSA-N 308.341 1.612 0 40 DDAB CCN1CCC[C@H]1CNc1c(NCc2ccco2)c(=O)c1=O 101690638 RALOCMZTVPPUDS-NSHDSACASA-N 303.362 1.384 0 40 DDAB COCCOc1ccc(CNC(=O)N2CCOC[C@H]2C)cn1 46817943 HVEDJMOUVBATBI-GFCCVEGCSA-N 309.366 1.037 0 40 DDAB COC(=O)/C=C(/Nc1ccc(C(=O)O)cc1)C(=O)NC(C)C 12324769 HKLOEKBAMFDSGB-XYOKQWHBSA-N 306.318 1.378 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc[n+]1[O-] 47230669 VRZQWBUWEHZFSK-OBJOEFQTSA-N 304.346 1.266 0 40 DDAB COc1cccc(NC(=O)CSc2nnnn2C(C)C)c1 1357603 POBDWQKVYQJLJA-UHFFFAOYSA-N 307.379 1.993 0 40 DDAB CS(=O)(=O)CCCNC(=S)Nc1ccc2c(c1)CCC2 53520891 UPANAGQVFRHBBV-UHFFFAOYSA-N 312.460 1.896 0 40 DDAB O=C(N1CCOCC1)N1CCN(c2nc3ccccc3o2)CC1 22530676 QSHVOMDEUYNTEE-UHFFFAOYSA-N 316.361 1.402 0 40 DDAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 22616320 DQZQJBZJRLUHEJ-ZDUSSCGKSA-N 314.345 1.308 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1COc2ccccc2O1 42308960 YHTPJSNJTHRCDI-CHWSQXEVSA-N 316.361 1.411 0 40 DDAB COCCn1c(SCC(=O)N(C)C)nnc1-c1ccco1 4161433 BKIUCNCGKNJDMZ-UHFFFAOYSA-N 310.379 1.365 0 40 DDAB O=C1C[C@H](c2ccccc2)N(CC(=O)N2CCCCC2)CCN1 54395323 WSJDKDIRENAQIO-MRXNPFEDSA-N 315.417 1.562 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCOCC2)c1 23695898 OBSBQWXDMWGAFM-GFCCVEGCSA-N 308.378 1.213 0 40 DDAB COc1ccc(OCC(=O)Nn2c(C)nnc2SC)cc1 6223720 AHMZXZVONLSXAR-UHFFFAOYSA-N 308.363 1.466 0 40 DDAB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCC#N 6656598 WKZUUCHBUACVRK-GWCFXTLKSA-N 308.359 1.776 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47643009 ARHGIODXIJYYBH-BFHYXJOUSA-N 317.389 1.066 0 40 DDAB O=C(NCCc1ccccn1)N[C@H]1CCCc2[nH]c(=O)ccc21 47634813 HNZZDYOIFZFVIN-HNNXBMFYSA-N 312.373 1.689 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCN(c2nccs2)CC1 54621147 DYJSLGXPDSZIAJ-UHFFFAOYSA-N 320.418 1.517 0 40 DDAB Cn1cc(CNC(=O)NCCOc2cccc(Cl)c2)cn1 54808638 QXBPLWYGBDKJQN-UHFFFAOYSA-N 308.769 1.952 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1CC(=O)N(C1CCCC1)C1CC1 54988572 HAEBHFCOEPIHCL-INIZCTEOSA-N 319.449 1.663 0 40 DDAB COC(=O)[C@H]1C2[C@H]3[C@@H]4C([C@@H]1C(=O)OC)[C@@H]1[C@@H]2C32CCCCC412 104281405 MZDFFTSHVCXPIB-PLXVQLTMSA-N 302.370 1.877 0 40 DDAB CN(C(=O)NCCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 44253801 DRXJAPNGRWIGLH-ZDUSSCGKSA-N 314.382 1.197 0 40 DDAB O=S1(=O)CCN2N=C(SCc3ccccc3)SC2=N1 3268358 GZHVDXIMGVRPAZ-UHFFFAOYSA-N 313.429 1.939 0 40 DDAB CC(=O)NCCCNC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110661510 MHOWAAOAQBZUSA-JYJNAYRXSA-N 322.453 1.028 0 40 DDAB O=C(Nc1cn2cc(Br)cnc2n1)C(F)(F)F 114716592 KBWATUKVSKLTSO-UHFFFAOYSA-N 309.045 1.993 0 40 DDAB C[C@H](CNC(=O)c1ccc(-n2cccn2)nc1)Cn1cccn1 58214864 JSTASQSOIIZBFS-CYBMUJFWSA-N 310.361 1.530 0 40 DDAB C[C@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@H](C)O1 44906811 LFDCKJFPYLOSAF-RYUDHWBXSA-N 318.373 1.586 0 40 DDAB Cc1cccc(-c2noc(CS(=O)(=O)CC(=O)N(C)C)n2)c1 44938832 LZEZFMYNJLPZIQ-UHFFFAOYSA-N 323.374 1.048 0 40 DDAB CC[C@H](CO)NC(=O)NCc1ccnc(N2CCCCC2)c1 44966300 UKPZUZUUDAKCNW-CQSZACIVSA-N 306.410 1.642 0 40 DDAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ncn[nH]2)c1 23140740 RIRCJJOJTQZIIT-UHFFFAOYSA-N 309.351 1.209 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)no1 57711616 NMZAEAZFCLBZTK-UHFFFAOYSA-N 318.352 1.883 0 40 DDAB C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)[C@@H]1CCCO1 27867043 DXMYXCZBNGEPJL-ABAIWWIYSA-N 315.373 1.160 0 40 DDAB O=C(CCNC(=O)c1ccco1)Nc1ccc2c(c1)OCO2 3359482 AALLMKHVSOVEJT-UHFFFAOYSA-N 302.286 1.767 0 40 DDAB CCN1C[C@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)CC1=O 50766176 XXAGGCQANJGOEC-GFCCVEGCSA-N 317.364 1.834 0 40 DDAB CCC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCOCC1 95394362 NAGVRRGGLNOXSS-VXGBXAGGSA-N 300.424 1.183 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 12861398 IBHLVCOURBYTAF-OAHLLOKOSA-N 314.316 1.980 0 40 DDAB C[C@@H]1CN(CCCN2C(=O)c3ccccc3C2=O)[C@H](C)CO1 45838943 RXCNLOHLBMEUJM-CHWSQXEVSA-N 302.374 1.782 0 40 DDAB CC(C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956627 JZGKWOGJRDPTIC-VIFPVBQESA-N 320.361 1.644 0 40 DDAB CCC[C@](C)(NCC(=O)Nc1c(C)nn(C)c1C)C(=O)OC 84740000 LBCCRAJLEGOMNQ-HNNXBMFYSA-N 310.398 1.297 0 40 DDAB NC(=O)[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1 12047696 ZLRCCHLTEKAJRY-GOSISDBHSA-N 324.380 1.897 0 40 DDAB COc1ccsc1S(=O)(=O)N1C[C@@H](CO)CC[C@@H]1C 95454450 UWSBFCYJHFQFSU-UWVGGRQHSA-N 305.421 1.538 0 40 DDAB Cc1ccsc1CN(C)C(=O)[C@H](NC(=O)C1CC1)[C@H](C)O 97235128 JCYABHWPHQPCBY-GXFFZTMASA-N 310.419 1.291 0 40 DDAB CONC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12911603 VUCVVTHBSUHVBK-MRVPVSSYSA-N 313.151 1.480 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)C(C)C 12976176 BKAQAIQXIXYSHA-HZPDHXFCSA-N 304.390 1.747 0 40 DDAB Cc1noc(CSc2ccccc2C(=O)O[C@H](C)C(N)=O)n1 13008237 VATGTRPHCBUPBU-MRVPVSSYSA-N 321.358 1.701 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@@H](O)C1 13148896 ASODUIFYPFQKBL-HUUCEWRRSA-N 323.389 1.094 0 40 DDAB C[C@H](CCc1ccccc1)N1CC(=O)N2CSC[C@H]2C1=O 4084270 VRYSNFITELMPDF-OCCSQVGLSA-N 304.415 1.751 0 40 DDAB biogenic CS(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 13629237 IZYFVCWZRFXJSK-UHFFFAOYSA-N 301.324 1.333 0 40 DDAB O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCC2CC2)C1 96005135 JUIKCRNXJSDDAC-AWEZNQCLSA-N 314.451 1.497 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCCCCC1 5292186 DCXNLFDRDJLSMX-UHFFFAOYSA-N 307.394 1.644 0 40 DDAB COC1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 65463887 QQXOOVYFILYCIV-UHFFFAOYSA-N 300.358 1.790 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CN(c2ccccc2)C1=O)C1CC1 65498893 MSNKDTBHYOFDOB-NSHDSACASA-N 301.346 1.370 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C[C@@H](C)O)c1ccccc1 65551136 NAUXBFPRNYXXOU-SNVBAGLBSA-N 310.375 1.868 0 40 DDAB NC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358709 WHXRFJODAQEZOR-UHFFFAOYSA-N 323.403 1.629 0 40 DDAB COc1ccccc1[C@@H](CNc1ccc2nnnn2n1)N(C)C 14139347 FZCCJKYPNBLBEU-GFCCVEGCSA-N 313.365 1.243 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)NC(C)(C)C1=O 4516790 AFKQPZIEZNZTMT-GFCCVEGCSA-N 317.389 1.454 0 40 DDAB CC(C)[C@H](Sc1nnnn1C)C(=O)NCc1ccccc1 9384806 IJXLSRALLPWFEX-LBPRGKRZSA-N 305.407 1.643 0 40 DDAB CCN1C(=O)S[C@H](N(CC(N)=O)c2ccc(C)cc2)C1=O 9338838 MVKWYZWLBZAKQH-ZDUSSCGKSA-N 307.375 1.328 0 40 DDAB Cn1c(NC(=O)Nc2cccc(Cl)c2)cc(=O)n(C)c1=O 5669981 NHZHSWFVNAHKOF-UHFFFAOYSA-N 308.725 1.381 0 40 DDAB COC(=O)c1cccc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c1 95464852 HVKAELNSTDSCLE-SNVBAGLBSA-N 305.252 1.468 0 40 DDAB CNC(=O)COC(=O)c1cccnc1Nc1ccccc1F 6948262 VBLYOCHEQWWOIV-UHFFFAOYSA-N 303.293 1.867 0 40 DDAB O=C(Nc1ccsc1C(=O)N1CCOCC1)c1cnccn1 67335771 JXEGFTAXYYSUIR-UHFFFAOYSA-N 318.358 1.263 0 40 DDAB CCc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)[nH]n1 95437847 XGESLHOJZOQZPM-CQSZACIVSA-N 319.336 1.625 0 40 DDAB O=c1c(Cl)c(N2CCC[C@H](O)C2)cnn1Cc1ccccc1 67949743 DZXDENCZWKYQRV-ZDUSSCGKSA-N 319.792 1.906 0 40 DDAB COC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 7657259 YUHOAYJXODTNKG-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)[C@@H]3COCCO3)C2)c1 96409302 YZAFCFGNMMTDMS-BBRMVZONSA-N 322.380 1.635 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1c[nH]nn1 96423806 MFYDQYMOYWCAAL-SNVBAGLBSA-N 305.769 1.857 0 40 DDAB COCC[C@H](C)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 96425098 VRUPCUFKECYRQT-BBRMVZONSA-N 324.396 1.740 0 40 DDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 16222749 UKURLWBPMHNZHH-KOLCDFICSA-N 317.794 1.411 0 40 DDAB COc1ccc(NC(=O)CN2CSCC2=O)cc1Cl 16639232 MSQSHBRYZDMHCS-UHFFFAOYSA-N 300.767 1.820 0 40 DDAB NC(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 16751250 IZCVSDBPKFMVQL-UHFFFAOYSA-N 316.338 1.130 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCCC[C@@H]2Cn2cncn2)no1 71876253 WNWBNPLNDLCAEU-QWHCGFSZSA-N 318.381 1.456 0 40 DDAB O=C(CCn1cnc2ncccc2c1=O)Nc1cccc(F)c1 69167024 FRFXBZVWLRNKRX-UHFFFAOYSA-N 312.304 1.959 0 40 DDAB CC[C@@H](Oc1ccccc1)C(=O)NN1C(=O)N[C@](C)(CC)C1=O 8263890 HJRMJTMJECVRPR-MLGOLLRUSA-N 319.361 1.596 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)ccc2F)CC1 71882014 HYBPNAABCJBNJX-AWEZNQCLSA-N 324.396 1.289 0 40 DDAB CCN1C[C@H](C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1=O 71878941 IOWFMSFIPOMMNM-SNVBAGLBSA-N 324.402 1.958 0 40 DDAB COc1ccc(Cl)cc1CN1CCN([C@H]2CCOC2=O)CC1 69438257 ATKNYTNSTDULLB-AWEZNQCLSA-N 324.808 1.782 0 40 DDAB Cc1cccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)no2)c1 69600179 ONVRVVUDOVQWJR-CYBMUJFWSA-N 310.361 1.741 0 40 DDAB COc1ccc2c(c1)[nH]c1c(=O)n(CCc3cnc[nH]3)cnc12 17861734 ZQADPMREBMIOJQ-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB Cn1cc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cn1 110568591 JCSPFTKWVWFTFV-RDBSUJKOSA-N 305.378 1.597 0 40 DDAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C)NC(N)=O 69815599 QLQGNRTXSUKWGL-JTQLQIEISA-N 324.356 1.058 0 40 DDAB O=C(NCCCc1nc[nH]n1)[C@H]1CCCN1Cc1ccccc1 71916626 MRRVTBKZLONNGS-OAHLLOKOSA-N 313.405 1.518 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Cl 9690096 FZFMHHZWHDXOPB-QMMMGPOBSA-N 323.201 1.632 0 40 DDAB CN1CC[C@H](N(C)C(=O)CSc2ccc(F)c(F)c2)C1=O 72291497 GMGIGNMXBMJJGA-LBPRGKRZSA-N 314.357 1.746 0 40 DDAB Cn1c(=O)n(CC(=O)Nc2ccc3[nH]ncc3c2)c2ccccc21 89749600 IJVHFLCKSTVYMS-UHFFFAOYSA-N 321.340 1.855 0 40 DDAB Cc1cn2c(CN(C)C(=O)[C@H](C)n3cncn3)c(C)nc2s1 89740685 YHUGPLSRPVAJBN-NSHDSACASA-N 318.406 1.824 0 40 DDAB CC[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1N(C)C 89948468 YMLKMEJZKYQIDJ-WDEREUQCSA-N 318.343 1.701 0 40 DDAB CCn1nccc1CN(C)C(=O)c1ccc2c(c1)OCCO2 28235329 PLSNHTGCDGZREB-UHFFFAOYSA-N 301.346 1.946 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)no1 75573188 JKFOIQAPONJMIK-GFCCVEGCSA-N 318.381 1.504 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 76045440 RYODGPHRFVEYQG-CYBMUJFWSA-N 301.350 1.041 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2noc(C)n2)o1 76043673 CFMHBJMYDQKELX-LBPRGKRZSA-N 318.333 1.584 0 40 DDAB CC(C)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N 79391289 NSBRJOISVGNFKB-STQMWFEESA-N 313.442 1.828 0 40 DDAB COc1ccccc1CNC(=O)c1ccc2c(=O)[nH]cnc2c1 71283506 WPKCDUVDMUZPHI-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1nccs1 524733976 JUKPGSFALMVCEP-VIFPVBQESA-N 306.376 1.809 0 40 DDAB C[C@@]1(CO)CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@]1(C)CO 529967632 XYDRRZNLVATOLU-IYBDPMFKSA-N 319.361 1.123 0 40 DDAB CCCc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1 43616962 URSSEZQRSFBSCQ-UHFFFAOYSA-N 303.453 1.173 0 40 DDAB O=C(O)CN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 37594627 BOQUBXNUYODISV-NSHDSACASA-N 317.794 1.414 0 40 DDAB CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)NC1=S 210126056 JGFFEAZYONNLRR-POHAHGRESA-N 322.386 1.790 0 40 DDAB O=C1CCSC[C@H](C(=O)Nc2nc(-c3ccco3)cs2)N1 75171013 GJAQAPCSEWBNEK-SECBINFHSA-N 323.399 1.963 0 40 DDAB CC(=O)N1CCN(CCO)C[C@H]1c1ccc(C(F)(F)F)cc1 72367770 XQFQHIRKGUSSOY-AWEZNQCLSA-N 316.323 1.903 0 40 DDAB CN1CCn2c(nnc2C2CCN(C(=O)C3CCCC3)CC2)C1 72372103 XMLCPRNFOPBOTJ-UHFFFAOYSA-N 317.437 1.620 0 40 DDAB O=C1c2cnc(N3CCCC3)nc2CN1C1CCSCC1 41123059 LGPZFADNTJLNKS-UHFFFAOYSA-N 304.419 1.928 0 40 DDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1sccc1F)C2 565088514 JAXUTMIZIJZZIO-SNVBAGLBSA-N 323.393 1.672 0 40 DDAB COCCCNC(=S)Nc1cnc(Br)cn1 223889095 NYEYTWGDFDBMBX-UHFFFAOYSA-N 305.201 1.562 0 40 DDAB O=S(=O)(CCc1ccccc1)NCc1nnc2ccccn12 88767673 DHWSICNXVOUOQT-UHFFFAOYSA-N 316.386 1.391 0 40 DDAB CC(C)CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224209673 UEYIEECXVLZRQQ-UHFFFAOYSA-N 320.440 1.457 0 40 DDAB Cc1cccc([C@@H]2C(=O)NCCN2Cc2nc(C(=O)O)co2)c1 571062141 NPZSREVIOFHSID-CQSZACIVSA-N 315.329 1.354 0 40 DDAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCN1CCOCC1 222990874 XBTYLQHBBILXRL-QGZVFWFLSA-N 320.433 1.909 0 40 DDAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1ccccn1 225748925 FWMDLFVFFPVLKP-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB Ic1ccc(N2CCCNCC2)nc1 85390798 RETVVTOFTSOUGN-UHFFFAOYSA-N 303.147 1.486 0 40 DDAB NC(=O)NCCCOC(=O)c1ccc(F)cc1Br 96442296 YLFYTQDMLZVGTD-UHFFFAOYSA-N 319.130 1.803 0 40 DDAB CCC(=O)N1Cc2nnn(C)c2[C@@H](COCc2ccccc2)C1 96068848 LZWGKNWLZKMCDZ-CQSZACIVSA-N 314.389 1.868 0 40 DDAB C[C@@H](O)C(=O)N1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 96501707 XFTYZLIQWVFCOE-LLVKDONJSA-N 324.808 1.300 0 40 DDAB CN(C)C(=O)CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192846 UBMSBIIGAVONST-HNNXBMFYSA-N 323.780 1.428 0 40 DDAB CSCC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 96422413 OZGVMKMPEACOPI-AWEZNQCLSA-N 307.463 1.676 0 40 DDAB CN(C)c1nccc(N2CCN(C(=O)c3ccoc3)CC2)n1 96416564 SXDOBMWMXRYHOY-UHFFFAOYSA-N 301.350 1.098 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)c1ccc2[nH]cnc2c1 96439634 XSQDZCHGCRHOJH-UHFFFAOYSA-N 314.267 1.313 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)no1 96043141 BUELEZMUPWKKNE-CFVMTHIKSA-N 307.394 1.487 0 40 DDAB c1ccc(OC[C@@H]2CN(c3ncccn3)Cc3cncn3C2)nc1 96207367 FLRWEHHALNJPFR-CQSZACIVSA-N 322.372 1.784 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 96253060 RKEITDIOFRSCRU-QLFBSQMISA-N 321.421 1.254 0 40 DDAB CN(C)c1nccc(CNC(=O)[C@H]2CCCc3cccnc32)n1 333258271 LQUQBLQNWFBBTN-AWEZNQCLSA-N 311.389 1.674 0 40 DDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042083 KRTBMRSMHYRJKB-SOUVJXGZSA-N 303.362 1.275 0 40 DDAB COc1ccccc1O[C@H](C)CNC(=O)Cc1cnn(C)c1 96431690 UVESGIZQFFQDSZ-GFCCVEGCSA-N 303.362 1.555 0 40 DDAB Cc1c(C)c(C(=O)OCCO)c(C)c(C)c1C(=O)OCCO 255190119 VCJPXVDAPLYOTQ-UHFFFAOYSA-N 310.346 1.218 0 40 DDAB CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)C[C@@H](C)OC 253432862 OXCUVJGHNAOJTQ-CHWSQXEVSA-N 315.439 1.795 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1ccc(Cl)cc1 257208086 BKQZCQPTPOCJKK-HIFRSBDPSA-N 324.808 1.748 0 40 DDAB COc1ccc2ccccc2c1CN1CCO[C@](C)(C(N)=O)C1 257247560 IZMXPEYDXGQYIS-SFHVURJKSA-N 314.385 1.925 0 40 DDAB O=C(Cn1cccn1)N1Cc2nccn2C[C@@H]1c1ccccc1 257229959 GADFIOKZHOSFPN-OAHLLOKOSA-N 307.357 1.863 0 40 DDAB Cc1ncc(CNC(=O)c2cccn2C)c([C@H]2CCCN2C)n1 257223613 DYCQZSGEVZLLNZ-CQSZACIVSA-N 313.405 1.820 0 40 DDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccsc2)c1=O 85555769 KIORNOIKZNATIV-UHFFFAOYSA-N 320.296 1.092 0 40 DDAB C[C@H](C(=O)N1CCC[C@H]1c1ccn[nH]1)n1nnnc1C(C)(C)C 287078903 NEYFSHFFYGAZKE-PWSUYJOCSA-N 317.397 1.618 0 40 DDAB CCn1nncc1C(=O)NCCCc1nc2c(s1)CCCC2 645266856 YKEACMOOUXIBHY-UHFFFAOYSA-N 319.434 1.996 0 40 DDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)CC(C)C)CC2 585096589 VAYXPVIFQAXQOI-LBPRGKRZSA-N 322.409 1.209 0 40 DDAB CN(CCCN(C)C(=O)c1cscn1)C(=O)c1cnccn1 1066687050 GCPBCXGTFGGPKN-UHFFFAOYSA-N 319.390 1.167 0 40 DDAB CO[C@H]1CCC[C@H]1OC(=O)CCN1C(=O)c2ccccc2C1=O 96405620 CKKZBKJSEBUGEH-UONOGXRCSA-N 317.341 1.783 0 40 DDAB C[C@H]1C[C@@H](NCC2(S(C)(=O)=O)CCOCC2)CC[C@H]1C 97379729 UZMGLRZNSFUOOM-RDBSUJKOSA-N 303.468 1.995 0 40 DDAB Cc1cc(C)cc(CCNC(=O)N[C@H]2CCCCNC2=O)c1 77555660 FBYARFGRLYYBDU-HNNXBMFYSA-N 303.406 1.814 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)NC2CCCCC2)cc1 19169982 ZFJOPJWGJQYTAB-UHFFFAOYSA-N 310.419 1.716 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 7400662 YMPYMDXJGKBWGI-INIZCTEOSA-N 301.346 1.654 0 40 DDAB CN([C@H]1CCN(c2ncnc3sccc23)C1)S(C)(=O)=O 1888853496 OARAVJOBQJPOTH-VIFPVBQESA-N 312.420 1.161 0 40 DDAB Cc1c(Br)cccc1-n1ccn2c(O)nnc2c1=O 1888883403 ACKHZPIICNJLAP-UHFFFAOYSA-N 321.134 1.657 0 40 DDAB O=C(O)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1 91294041 VYLRKOQOHLBGSZ-JTQLQIEISA-N 319.766 1.204 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@]12CCN(C(=O)c1csnn1)C2 1565549837 GCHNZUYTTNKHJN-IINYFYTJSA-N 306.391 1.059 0 40 DDAB CCOC(=O)CN1C(=O)S[C@@H](Nc2ccc(F)cc2)C1=O 12289133 QVUBESNBJWTPHH-LLVKDONJSA-N 312.322 1.822 0 40 DDAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCC(F)(F)F 49026149 MGODDOFTUZYZET-UHFFFAOYSA-N 319.258 1.746 0 40 DDAB CN1C(=O)[C@@H](C(=O)Nc2nncs2)c2cc3occc3cc21 101036373 OQMLSKSSPKAKJQ-LLVKDONJSA-N 314.326 1.983 0 40 DDAB in-vitro COc1ccc(Cl)cc1CC(=O)NCCN1CCOCC1 40467571 LVPGQYAZNJBLJF-UHFFFAOYSA-N 312.797 1.340 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1cncc(Br)c1 40521454 HOYUIAFMXPJFLT-JTQLQIEISA-N 312.167 1.243 0 40 DDAB O=C(COCC(F)(F)F)Nc1ccc(-n2ccnc2)nc1 40535497 PEAMWQKUWGOXOV-UHFFFAOYSA-N 300.240 1.785 0 40 DDAB COc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)c(C(N)=O)c1 51970644 LUQSJDYXQUILSY-RISCZKNCSA-N 320.389 1.868 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 32751137 USHDVTXELUBWHV-ZDUSSCGKSA-N 321.348 1.885 0 40 DDAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)CO 32803289 RFBROCHCUGUJAC-AAEUAGOBSA-N 310.419 1.035 0 40 DDAB C[C@]1(NC(=O)c2cc(-c3ccccc3)[nH]n2)CCS(=O)(=O)C1 32904881 IBAYGKYBFROEOF-HNNXBMFYSA-N 319.386 1.384 0 40 DDAB CN1C[C@H](C(=O)NCc2ccnc(OC3CCCC3)c2)CC1=O 41398119 BHQUUJJYSYXSIW-CYBMUJFWSA-N 317.389 1.498 0 40 DDAB O=c1[nH]ncc(N2CCN(Cc3ccccc3)CC2)c1Cl 150065 TWXSQWIBFLBSNW-UHFFFAOYSA-N 304.781 1.746 0 40 DDAB C[C@@H](NC(=O)N1CCSCC1)c1ccc2c(c1)NC(=O)CO2 46975040 RRGFRJGHYKWORO-SNVBAGLBSA-N 321.402 1.837 0 40 DDAB CC(C)c1ccsc1C(=O)NCCN1CCCS1(=O)=O 61597479 LAEJQYIITRYWOZ-UHFFFAOYSA-N 316.448 1.637 0 40 DDAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC 871176 QLBMHTJQGPXLJB-AWEZNQCLSA-N 320.345 1.895 0 40 DDAB COC(=O)CNC(=O)c1cc(-c2cccc(Cl)c2)nn1C 79479751 LAFNGRPSSPUFDX-UHFFFAOYSA-N 307.737 1.643 0 40 DDAB Cc1c(Cl)cnn1[C@@H](C)C(=O)NCCCN1CCCC1=O 2781607 UEPIHKCGNKSXSD-NSHDSACASA-N 312.801 1.535 0 40 DDAB O=c1[nH]c(-c2ccco2)nc2sc3c(c12)CCS(=O)(=O)C3 47682189 XSXJYVPREPWKDS-UHFFFAOYSA-N 322.367 1.716 0 40 DDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nccs1 7210440 HFFXIQITAIFXNC-UHFFFAOYSA-N 308.363 1.336 0 40 DDAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1N 8163916 TYVODIKVCPADKB-SNVBAGLBSA-N 321.377 1.747 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cn1 25308378 MEQXHGOGNPNHND-LLVKDONJSA-N 302.334 1.504 0 40 DDAB Cc1ccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1Cl 56970209 GCOZBCJJVGLLIB-UHFFFAOYSA-N 321.768 1.580 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35284158 DQCPVFKYHLINHI-DOMZBBRYSA-N 319.380 1.564 0 40 DDAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1CCNC1=O 57411552 VTNJXUQNQAITJT-GFCCVEGCSA-N 323.418 1.281 0 40 DDAB COCC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 27180616 VPHOEXSAUYSWMU-UHFFFAOYSA-N 304.268 1.198 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 72234062 FBHDUNSSOHHFAG-CQSZACIVSA-N 314.389 1.713 0 40 DDAB COCC(=O)N[C@H](CC(=O)OC(C)C)c1ccc(OC)cc1 44889152 IKKZXWURGMWWMQ-CQSZACIVSA-N 309.362 1.841 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 58356355 LJZUGNPMKJXPAL-LBPRGKRZSA-N 305.330 1.626 0 40 DDAB Cc1c(C(=O)NCc2ccoc2)cnn1[C@H]1CCS(=O)(=O)C1 58333240 AHBKONOTSRCTHO-LBPRGKRZSA-N 323.374 1.074 0 40 DDAB O=C(Cn1cnnn1)N[C@H]1CCCOc2c1ccc1ccccc21 84229094 ZECCHVYTFXWAJO-HNNXBMFYSA-N 323.356 1.856 0 40 DDAB CCCCN(C)S(=O)(=O)N1CCC[C@H](NC(=O)OCC)C1 48375425 IMFDWBXLCYQKFK-LBPRGKRZSA-N 321.443 1.174 0 40 DDAB O=C(Cc1ccc(F)cc1)Nc1cnc(N2CCOCC2)nc1 65225031 DEOACBKIQAFXIJ-UHFFFAOYSA-N 316.336 1.634 0 40 DDAB COC(=O)Cn1ccc(NC(=O)Nc2ccc(OC)nc2C)n1 97164744 HGCSEJMQRKUVCV-UHFFFAOYSA-N 319.321 1.412 0 40 DDAB C[C@H](NC(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1)c1nncn1C 72312639 DWFWLSUMTWXVAZ-WQGACYEGSA-N 323.441 1.753 0 40 DDAB COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCC(N)=O 22241163 VQJBZBLFMCRAQW-UHFFFAOYSA-N 312.753 1.449 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)[C@H](C)n2cncn2)CC1 29756658 UTLIWZBEJUBQJQ-HNNXBMFYSA-N 313.405 1.492 0 40 DDAB COCc1nc2c3cnn(-c4ccccc4)c3nc(S)n2n1 20799506 URRKGFJYTLRKPD-UHFFFAOYSA-N 312.358 1.898 0 40 DDAB NC(=O)NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 2653267 KQGDBOKKGRUPJJ-UHFFFAOYSA-N 303.318 1.229 0 40 DDAB COCCN(CCOC)C(=O)c1[nH]nc(C)c1Br 48889029 UTAHNRCXVMJLIL-UHFFFAOYSA-N 320.187 1.216 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2cnc3sccc3c2=O)C1 13121298 IBCSJMUCOWJQBX-PHIMTYICSA-N 305.403 1.963 0 40 DDAB CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 13850495 CSYKRYSQPFEXKV-UHFFFAOYSA-N 310.400 1.837 0 40 DDAB CCCCN(CCCC)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 4426009 SKFYVULSUKNIEX-GFCCVEGCSA-N 311.469 1.406 0 40 DDAB COc1c(CN[C@H]2CCc3nccn3C2)c(C(C)C)nn1C 65523294 ANILOMQDWLJQGP-LBPRGKRZSA-N 303.410 1.853 0 40 DDAB Cc1nc2ccccc2c(NC[C@H](O)CN2CCOCC2)c1C 96009694 PIWWQLVIJQVKHC-HNNXBMFYSA-N 315.417 1.957 0 40 DDAB CN1CCO[C@H](CNC(=O)c2ccc(OC3CCCC3)nc2)C1 96006001 PZZANTXQZQZLAR-OAHLLOKOSA-N 319.405 1.463 0 40 DDAB CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 6582199 BUOQXIMIVLVHBX-UHFFFAOYSA-N 300.314 1.169 0 40 DDAB O=C(NC1CC1)c1nc(-n2cnnc2)ccc1Br 21721257 KYLSVVSFOHYYGE-UHFFFAOYSA-N 308.139 1.317 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 9314302 ZKNBPVPXQWTMLH-INIZCTEOSA-N 307.394 1.403 0 40 DDAB O=C1Nc2ccccc2[C@@]12CC(c1ccc3c(c1)OCO3)=NN2 9302830 HFYDIRRRPIWQAG-KRWDZBQOSA-N 307.309 1.960 0 40 DDAB CCn1c(CN2C[C@H]3[C@@H](C2)OCCN3C)nc2ccccc21 93642423 MBLUYZXDCIWBBA-JKSUJKDBSA-N 300.406 1.571 0 40 DDAB CCn1nnnc1SCCN1C(=O)c2ccccc2C1=O 16459151 NNFXRQDFKOIDGE-UHFFFAOYSA-N 303.347 1.081 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1 8035427 YVYYINHHUVDSMM-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N1CCc2ccc(O)cc2C1 95432164 WXSZIEXDTCOBTD-SECBINFHSA-N 302.296 1.817 0 40 DDAB CC(C)c1nsc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 95408535 CIHGBTLGVRNLKL-JTQLQIEISA-N 318.468 1.427 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2nc(C)cc2C)on1 70003745 CDBWAUPSBAMGAO-CQSZACIVSA-N 317.393 1.899 0 40 DDAB O=c1cc(CN2CCC(c3ccn[nH]3)CC2)nc2ccccn12 69443348 PDYOMENRVQTESA-UHFFFAOYSA-N 309.373 1.797 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)NC2=NCCS2)CC1=O 8427844 WXXCTDCFHDRKEW-LBPRGKRZSA-N 317.414 1.821 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)Cc1csc(C)n1)C2 71860249 NCZKVAZCDYMZHP-UHFFFAOYSA-N 317.418 1.801 0 40 DDAB CCOCc1cccc(NC(=O)C(=O)N2CCC(O)CC2)c1 69704426 HQNPHNXJHVAYPD-UHFFFAOYSA-N 306.362 1.145 0 40 DDAB Cc1nn(CC(C)C)c(N(C)C)c1CNCc1ccnn1C 69773808 UQBDYONZLQKESA-UHFFFAOYSA-N 304.442 1.937 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CN3)CC[C@]1(C)O 92097011 YMEJBLGWRRFMRY-HWPZZCPQSA-N 303.362 1.284 0 40 DDAB CCN1CCC[C@H]1CNS(=O)(=O)c1cc(N)ccc1Cl 19984502 YGGSRRLGBFEKRX-NSHDSACASA-N 317.842 1.685 0 40 DDAB CNC(=O)c1cccc(N(C)C[C@@H](O)c2ccc(F)cc2)n1 95403206 HBYPBLUKEXIKNQ-CQSZACIVSA-N 303.337 1.750 0 40 DDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](n2ccnc2)C1 69973805 MKAMTCJXRDNBRI-QWHCGFSZSA-N 313.423 1.260 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(Cc3ccccc3)no1)CC2 69952241 BDIBTHTVGKOKNU-AWEZNQCLSA-N 324.388 1.665 0 40 DDAB CC[C@@H](SC(C)=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9667841 ULTVUOWGDWCHKW-LLVKDONJSA-N 316.404 1.331 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN2C(=O)NC[C@H]2C1 95439722 HIIPDZXKDRQAPC-RISCZKNCSA-N 321.808 1.755 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@H]1COCCO1 83980016 CEQFWCQHJWHYFY-GDBMZVCRSA-N 305.374 1.644 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@@H]1CCC(=O)N(C)C1 87118835 VSJJKKFMRBCQBK-CQSZACIVSA-N 307.369 1.597 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCS(=O)(=O)C2)cc1 96996337 YLCYUPXZYWTMCC-CQSZACIVSA-N 305.403 1.662 0 40 DDAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cn2cnnn2)cc1 98014107 XGWHDXYSLIUXDG-GDBMZVCRSA-N 315.377 1.266 0 40 DDAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F 89091560 UUIQQXUGWKUBAG-GZMMTYOYSA-N 306.790 1.885 0 40 DDAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)c(=O)[nH]1 75121792 OBHFAXKNSFNINY-OAHLLOKOSA-N 313.401 1.586 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 89938058 ZLZQWVYARQTIRM-NSHDSACASA-N 324.808 1.816 0 40 DDAB Cc1nc(CS(=O)(=O)c2nccn2-c2cccc(F)c2)no1 75582900 GCQJSOQWQRZLAL-UHFFFAOYSA-N 322.321 1.677 0 40 DDAB Cn1nccc1CNc1nnc([C@@H]2COc3ccccc3O2)o1 185901976 KGTYBFFMDHACIE-ZDUSSCGKSA-N 313.317 1.928 0 40 DDAB Cc1cc(C)n2c(SCCCN3CCN(C)CC3)nnc2n1 129944519 RMTIZOGZQYCIFQ-UHFFFAOYSA-N 320.466 1.471 0 40 DDAB COc1cccc(-c2noc([C@H]3CCN(CC(N)=O)C3)n2)c1 72369864 UHGAULBPYFEOBH-NSHDSACASA-N 302.334 1.020 0 40 DDAB Cc1cc(C)cc(CCNC(=O)c2c(C)c(C)nn(C)c2=O)c1 76370005 OIJKFVLNFDNDIU-UHFFFAOYSA-N 313.401 1.986 0 40 DDAB CCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217707372 HCVCRRRGGREQDC-UHFFFAOYSA-N 324.358 1.888 0 40 DDAB COc1ccc(F)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 133360188 PPXSYIGSDBKFCV-SNVBAGLBSA-N 305.313 1.562 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1 75156940 OQJKHSQADXWSID-DTWKUNHWSA-N 319.404 1.117 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC2(CC1)OCCCO2 75156630 PUUKMPYSLQYSQN-HNNXBMFYSA-N 319.357 1.582 0 40 DDAB Cc1cc(CNC(=O)c2ccccc2)nc(N2CCOCC2)n1 224224239 DJJMSENNMTTWGR-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1 41123255 NZZQZCCEQUTDAM-CYBMUJFWSA-N 303.366 1.945 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 41195071 LYXCXQWXWAWHHP-RYUDHWBXSA-N 300.380 1.624 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)C1 46089146 DLLNJBOJUAESTP-GHMZBOCLSA-N 304.394 1.887 0 40 DDAB COc1ccc(-c2nc(N)cc(SCC(=O)O)n2)cc1OC 49470065 UPDUPDXXSHBPKJ-UHFFFAOYSA-N 321.358 1.920 0 40 DDAB CC(C)OC(=O)c1ccc(NCCN2CCOCC2)c(N)c1 225450581 ACZOKOPRUPODGP-UHFFFAOYSA-N 307.394 1.578 0 40 DDAB COCCn1c2c(ccc1=O)C[C@H](NCc1ccco1)CC2 96189657 UZXBVKOQISTBGC-CQSZACIVSA-N 302.374 1.735 0 40 DDAB O=C(Cn1nnc(-c2ccco2)n1)NC[C@H]1C[C@H]1c1ccccc1 95394779 CMBBZSORDAXJRI-KGLIPLIRSA-N 323.356 1.853 0 40 DDAB Cc1cc(C(=O)Nc2nc(C(=O)NC[C@@H]3CCCO3)co2)no1 90582983 RBPDMSZGRBZNGF-VIFPVBQESA-N 320.305 1.132 0 40 DDAB Cc1cc2nc(N3CCO[C@H](c4nccs4)C3)cc(=O)n2o1 97203825 PCFKIGTWMQXZPY-JTQLQIEISA-N 318.358 1.630 0 40 DDAB CCc1ccc([C@H](COC)NC(=O)c2ccc(=O)n(C)n2)o1 96423286 QPCDACNYXLLNFP-LBPRGKRZSA-N 305.334 1.053 0 40 DDAB CC1(C)O[C@H]2NC(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3OC[C@H]21 96306167 RABQDEDLDXSAFJ-SGESHTKJSA-N 302.330 1.369 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)c1ccncc1)CC2 96227907 NKPAZAFKJQTGQS-UHFFFAOYSA-N 316.449 1.714 0 40 DDAB CSC[C@](C)(O)CNC(=O)[C@@H](C(C)C)N1CCCCC1 96414664 FVAZNKQWGONCOP-UKRRQHHQSA-N 302.484 1.727 0 40 DDAB O=C(NC[C@H]1COCc2nc3cccnc3n21)c1ccccn1 96112545 LQVSEGJMZKENDK-NSHDSACASA-N 309.329 1.328 0 40 DDAB biogenic,in-vitro Cc1ccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)o1 96056327 CLOWHJIOZFSRLX-YESZJQIVSA-N 306.406 1.652 0 40 DDAB CN(c1ccncn1)C1CC2(CCN(C(=O)c3ccno3)C2)C1 257248173 JCLKYLYCBBJZQN-UHFFFAOYSA-N 313.361 1.596 0 40 DDAB O=C(c1cscn1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257238517 HLJQBNCRLQKGPM-CHWSQXEVSA-N 308.334 1.547 0 40 DDAB O=C(N[C@H]1CCn2nccc2C1)c1cnn(-c2ccccc2)n1 253473210 SPZOEANGRSKZFE-LBPRGKRZSA-N 308.345 1.209 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)N)cc1C 63194006 AUEUMBVSKXSIGL-TZMCWYRMSA-N 312.435 1.894 0 40 DDAB Cc1nnc2n1CCN(C(=O)C[C@@H]1OCCc3sccc31)C2 69571409 ZQADIOVFBKYULR-LBPRGKRZSA-N 318.402 1.694 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2cc(C)on2)c1 257232425 GKUCTGCYPJRVIB-MRXNPFEDSA-N 314.389 1.489 0 40 DDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cnccn2)n1 257312778 UPLRQUPIKDNMPB-INIZCTEOSA-N 312.421 1.974 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3c(F)ccc(F)c3F)C[C@H]21 253370901 XSDCPQXGIDOLHS-GHMZBOCLSA-N 300.280 1.259 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cccc(O)n2)C1 257225592 FGXKAFBXPPMZOD-LBPRGKRZSA-N 300.362 1.914 0 40 DDAB CS(=O)(=O)N1CCC(c2cncc(-c3ncco3)n2)CC1 257311012 UHOGHZXIRXMVRE-UHFFFAOYSA-N 308.363 1.271 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257208349 BLUHYSLWIGGQKO-LBPRGKRZSA-N 306.391 1.296 0 40 DDAB C=CC(=O)N1CC[C@H](c2cc(Nc3nncs3)nc(C)n2)C1 585291859 UMFSOSRCWMHELR-JTQLQIEISA-N 316.390 1.882 0 40 DDAB CC(C)c1ncc2c(n1)CN(CC(=O)Nc1cccnc1)CC2 72268513 VVKNKPXZFDLLMT-UHFFFAOYSA-N 311.389 1.992 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 49336139 HZLUFEYIZHJHPR-UHFFFAOYSA-N 302.421 1.164 0 40 DDAB COC(=O)Nc1cccc(C(=O)N2CCC(C(=O)O)CC2)c1 95971396 UBWZFNGATSAIML-UHFFFAOYSA-N 306.318 1.802 0 40 DDAB C[C@H](CO)NC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 97117517 XLOUKLLVVPUDQC-SNVBAGLBSA-N 319.386 1.169 0 40 DDAB C1=C[C@@H]2NN=C(C3CCN(c4ncnc5[nH]ncc45)CC3)N2C=C1 11856485 CHXBOSWCRFOHLU-CYBMUJFWSA-N 322.376 1.198 0 40 DDAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCO)cc1 12656421 GOCOPNTWHGGFEE-PTNGSMBKSA-N 314.341 1.467 0 40 DDAB COC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)OC)s1 13116154 AUGFICWNEFPLAO-OLQVQODUSA-N 322.433 1.845 0 40 DDAB Cc1nn(C[C@@H](C)C(=O)NCCc2cnccn2)c(C)c1C 19556923 VNSIQPJFVABEGG-LLVKDONJSA-N 301.394 1.593 0 40 DDAB CC(C)(C)c1ccc(C(=O)N2CC(N3C(=O)CCC3=O)C2)cc1 238899049 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305.403 1.740 0 40 DDAB Cc1ccc(NC(=O)CCOCC(C)C)cc1S(N)(=O)=O 32043674 VRJBXUDPOUQNHA-UHFFFAOYSA-N 314.407 1.644 0 40 DDAB O=C(NCCN1CC=CC1)c1nc(N2CCCC2)ncc1Cl 101282461 ATLILVRAXNZXAP-UHFFFAOYSA-N 321.812 1.332 0 40 DDAB O=C1CCN(C(=O)c2ccc(Cl)cc2-n2cnnn2)CC1 20728834 XNWMYJCUIAWRCB-UHFFFAOYSA-N 305.725 1.121 0 40 DDAB COc1ccnc(NCc2ccc(N3CCO[C@H](C)C3)nc2)n1 52245662 HJZGIYQSOJHBSQ-GFCCVEGCSA-N 315.377 1.717 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)s1 32931239 NDUTVOKVANJISY-QWRGUYRKSA-N 308.403 1.891 0 40 DDAB CCCCN(CC(N)=O)CC(=O)N[C@H]1CCOc2ccccc21 52703726 IEKBOCHQIKJTEP-AWEZNQCLSA-N 319.405 1.214 0 40 DDAB Cc1ccc(OCCN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 22719318 NIAJAAHRNUFICX-OAHLLOKOSA-N 306.387 1.801 0 40 DDAB Cn1nc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)ccc1=O 79181557 TYXQJWBALNWVAE-LBPRGKRZSA-N 311.263 1.814 0 40 DDAB CS(=O)(=O)Cc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1 23189392 MDXXEHLKAPQWEB-AWEZNQCLSA-N 311.403 1.530 0 40 DDAB CCc1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cs1 42643277 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CCN1CCC[C@@H]1CNC(=O)C[C@H](NC(C)=O)c1cccs1 44895531 VSVIEXWNJJIESP-KGLIPLIRSA-N 323.462 1.916 0 40 DDAB CC[C@@H]1CN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CCO1 44865634 IAEFQKVMHDVOTC-CQSZACIVSA-N 318.352 1.966 0 40 DDAB CCCCCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 12647445 VMXSCXSOFFUPAX-UHFFFAOYSA-N 319.409 1.224 0 40 DDAB Cc1noc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3F)C2=O)n1 44944331 TXDAJAOVXJBYMI-AWEZNQCLSA-N 322.271 1.623 0 40 DDAB COC(=O)[C@H]1[C@@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OC)[n+]1ccccc12 104001326 DGVSUYJFSVZNIH-TWMKSMIVSA-N 324.356 1.601 0 40 DDAB C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)[C@H]1CCCO1 44908241 NMZYTEMWHBZHRX-GXFFZTMASA-N 301.346 1.231 0 40 DDAB CCn1cnnc1CNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 44942454 KJXRISYRGCHKIV-YGRLFVJLSA-N 302.334 1.143 0 40 DDAB COCCn1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cn1 44973121 MPASGMXGXSRQQL-GFCCVEGCSA-N 308.382 1.562 0 40 DDAB NC(=O)c1cnc(NC2CCN(C(=O)C3CC3)CC2)c(Cl)c1 48287298 MECQSVVFLIIKPZ-UHFFFAOYSA-N 322.796 1.647 0 40 DDAB 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Cn1cc(-c2cnc3n2C[C@]2(CCN(c4ncccn4)C2)C3)cn1 306144235 ZADWUDBGFBCHGJ-QGZVFWFLSA-N 321.388 1.526 0 40 DDAB CC(C)(C)OC(=O)NCCC(=O)NC1(C(=O)O)CCCCC1 84240648 GAGFTBKFTJTJFR-UHFFFAOYSA-N 314.382 1.805 0 40 DDAB CCNC(=O)CNc1ncc(C(=O)NC2CCCC2)cc1Cl 97102997 WJWDEUQWGLYRJN-UHFFFAOYSA-N 324.812 1.955 0 40 DDAB O=C(NC(C1CC1)C1CC1)N1CCC[C@H]1CN1CCOCC1 73584449 AZEMPVHNPFFXPQ-HNNXBMFYSA-N 307.438 1.681 0 40 DDAB CS(=O)(=O)N1CCO[C@H](c2ccc(Br)cn2)C1 72344129 AQPZPXRCHSEUQF-JTQLQIEISA-N 321.196 1.177 0 40 DDAB O=C(C[C@@H]1CCCN1c1ccc2nnnn2n1)c1cccs1 95994806 YPZVZTHZEVQZIN-JTQLQIEISA-N 314.374 1.823 0 40 DDAB Cn1cc(CCNC(=O)c2ccc(-c3ccco3)[nH]c2=O)cn1 75125395 YEVJIRDVAACRGF-UHFFFAOYSA-N 312.329 1.341 0 40 DDAB Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(F)c2)n1 89756672 VRMWZEWQJIHSDN-CYBMUJFWSA-N 316.336 1.861 0 40 DDAB CC(C)Oc1cccc(CNC(=O)CN2CCN(C)C[C@@H]2C)c1 89939087 RHVADWRHNODUQD-HNNXBMFYSA-N 319.449 1.726 0 40 DDAB Cc1nc([C@@H]2CCCN2CCn2nc3ccccn3c2=O)no1 75573150 MWOPSSHYVVRXRP-LBPRGKRZSA-N 314.349 1.025 0 40 DDAB O=C(CN1CCNCC1)NCCc1c[nH]c2ccc(Cl)cc12 23292103 LKVUNBJNCSAINN-UHFFFAOYSA-N 320.824 1.385 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1F 32689023 GKVSQLCDJGMWCK-UHFFFAOYSA-N 319.292 1.026 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 36633908 SZZYTCBCWARBBI-CQSZACIVSA-N 305.353 1.095 0 40 DDAB O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCSCC1 522204172 CULGTDCYHRBTGY-HNNXBMFYSA-N 305.447 1.869 0 40 DDAB Cc1nnc(CNC(=O)Cc2cccc(Br)c2)n1C 78556810 SLDSTFBQVRFIIA-UHFFFAOYSA-N 323.194 1.745 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)c(F)c1 77938161 FESXVUFKOSZJLG-ZANVPECISA-N 312.316 1.571 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccc(CCO)cn2)CC1 72225580 KLFCYLDCFAIFDZ-UHFFFAOYSA-N 307.394 1.674 0 40 DDAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC 218022949 VJIVNVRXMXWSGF-VNHYZAJKSA-N 311.403 1.095 0 40 DDAB COc1ccc2cc(C(=O)NCC3(O)CCOCC3)[nH]c2c1 75228675 FOBRGOSCLIHELJ-UHFFFAOYSA-N 304.346 1.448 0 40 DDAB C[C@@]1(C(=O)NC[C@H]2CCCO2)Sc2ccccc2NC1=O 40773709 IAWJKBWITFDGNI-BMIGLBTASA-N 306.387 1.785 0 40 DDAB COC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 45267686 HZTGOGOZUCFLOY-UHFFFAOYSA-N 309.343 1.853 0 40 DDAB Cc1nsc(C)c1C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 570676814 AXRTZWSJNMOMAS-GHMZBOCLSA-N 314.432 1.552 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)c(C)c1 224194632 GYHNELOZTQAOEE-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB Cc1cc(C)c(C(=O)OCc2ccnc(-n3ccnc3)c2)c(=O)[nH]1 195561542 SKVILSLQPZYNKQ-UHFFFAOYSA-N 324.340 1.929 0 40 DDAB C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23 48523204 XTLCAWXSWVQNHK-NSHDSACASA-N 317.364 1.846 0 40 DDAB in-vitro Cc1n[nH]c(C)c1NC(=O)CN1CCOC[C@@H]1c1cccn1C 131757197 BMFXLOHEFPJTSU-CQSZACIVSA-N 317.393 1.377 0 40 DDAB Cc1ccc(C)c(OCC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 132317354 WOZISEGIPLCWIK-KGLIPLIRSA-N 304.390 1.843 0 40 DDAB O=C(C1CCCCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 41058389 XOOXILZPHSVVRI-OAHLLOKOSA-N 308.422 1.664 0 40 DDAB CCN1CCN(C)C(=O)C12CCN(Cc1csc(C)n1)CC2 96230244 ZMKIHYJCFLQGAH-UHFFFAOYSA-N 322.478 1.580 0 40 DDAB CO[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cnn(C)c1 96200197 ZJFKQRSLZWWCMH-UONOGXRCSA-N 305.403 1.954 0 40 DDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041592 PIAUMURHNAUMJN-RRFJBIMHSA-N 303.362 1.275 0 40 DDAB CN1CCO[C@@H]2CN(S(=O)(=O)c3ccccc3)CC[C@@H]2C1 96249553 FACOJSPBZILNNQ-UKRRQHHQSA-N 310.419 1.028 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C(C(=O)O)[C@@H]3CC2)cc1 97437115 VSEWERIUTZRMAU-PBWFPOADSA-N 309.387 1.726 0 40 DDAB CN1[C@@H]2CN(Cc3ccncc3)C[C@@H]2C[C@@H]1C(=O)NCC1CC1 96185742 AKJUTMYSENMYEK-GVDBMIGSSA-N 314.433 1.112 0 40 DDAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)C3CC3)ccc2NC1=O 96182233 LXDMENBCDRUYGP-MRXNPFEDSA-N 318.329 1.688 0 40 DDAB O=C(N1CCCC1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96047764 FNNNXCHUZKZACM-CZUORRHYSA-N 317.393 1.338 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(Cc1cncn1C)CC2 96217787 RZBXFPVDCUZIMW-KRWDZBQOSA-N 320.437 1.414 0 40 DDAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 96056835 FGIJPRNUWUWMLD-ZBFHGGJFSA-N 305.378 1.524 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccoc1 96062096 BKBRQYBINRDNAO-LLVKDONJSA-N 312.333 1.333 0 40 DDAB CC(C)CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344283 GTTHKUCYKIVKKB-JTQLQIEISA-N 318.352 1.827 0 40 DDAB CCS(=O)(=O)N1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 96041078 ORAHFWVYXBYVOC-GMTAPVOTSA-N 301.368 1.022 0 40 DDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)CC1CC1)CC2 96217746 JHBDCKZYHUVAAY-SFHVURJKSA-N 321.465 1.722 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccnn1C 257321162 WAIZJTSSMCABHO-AWEZNQCLSA-N 300.362 1.215 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@H](c2ccn[nH]2)C1 257267480 MHMHKPOIHBFIBL-SNVBAGLBSA-N 309.329 1.276 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc(C)c(C)nc3O)CCO2)n1 257257380 KPJQJGPZLIHYLI-CYBMUJFWSA-N 316.361 1.649 0 40 DDAB c1cnc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)cn1 257270554 MURZCHJFQQCZLQ-KRWDZBQOSA-N 313.357 1.821 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)c1cscn1 257230373 GCAQDPIUZOZHEI-CYBMUJFWSA-N 303.387 1.938 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cc(-c3cc[nH]n3)ncn2)CC1 257331012 XQZWRXIMPVVZMH-UHFFFAOYSA-N 321.406 1.081 0 40 DDAB CS(=O)(=O)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257287492 PQFJNKBOIOQZPH-AWEZNQCLSA-N 310.419 1.364 0 40 DDAB CN(C)Cc1cnn(-c2ccccc2C(=O)N2CCOCC2)c1 257339868 ZDNHMFRMNNBQST-UHFFFAOYSA-N 314.389 1.406 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)c3ccc(O)cc3)CC[C@H]21 257228657 FUSYHGZZRVSZCZ-DZGCQCFKSA-N 302.374 1.865 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2Cc2ccc(F)cn2)n1 257274444 NLBXATUXALNCAQ-CQSZACIVSA-N 304.325 1.598 0 40 DDAB C[C@@H](c1ccccc1F)N(CC(=O)N1CCNC(=O)C1)C1CC1 65520325 TXQSQSBXAHDOII-LBPRGKRZSA-N 319.380 1.310 0 40 DDAB CCOc1nnc(CNCC2CCN(C[C@H](C)O)CC2)s1 69894847 PBZPVPKQIGFMTI-NSHDSACASA-N 314.455 1.119 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)n1 70688673 MVCWKVOKZBTMEL-GFCCVEGCSA-N 301.350 1.580 0 40 DDAB C[C@H](SCc1ccccc1)C(=O)NCC1(O)CCN(C)CC1 72306581 PZUVDPNEJXBOOM-AWEZNQCLSA-N 322.474 1.881 0 40 DDAB Cc1noc(CN2CCN(c3cc(C4CCC4)ncn3)CC2)n1 1776009316 DASCTWNSIGMKPU-UHFFFAOYSA-N 314.393 1.758 0 40 DDAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCO2)[C@H]1CCCO1 48170869 MOXXABMUJPWOGM-WCQYABFASA-N 306.362 1.825 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccccc2)CC1 55976687 YOMOLMJARSVHLN-ZDUSSCGKSA-N 323.414 1.491 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CC2)no1 1775963993 MVZUGJDFBCXOKU-GCVYGYKWSA-N 317.389 1.748 0 40 DDAB biogenic,in-vitro COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1 76058145 SXTYXPWKYVUKRK-DOMZBBRYSA-N 312.435 1.455 0 40 DDAB CN1C[C@@H](NC(=O)c2ccc(OCC3CC3)nc2)CCC1=O 78840544 XJEFFZVDBFBDAJ-ZDUSSCGKSA-N 303.362 1.221 0 40 DDAB Cc1c(Br)cccc1C(=O)NCC(C)(C)C(N)=O 79605458 SXWYMDILXIDQSO-UHFFFAOYSA-N 313.195 1.999 0 40 DDAB COC(=O)[C@H]1CN(Cc2nc3cc(F)ccc3o2)C[C@@H](C)O1 89496962 UAXKWTXOSZOHPO-NOZJJQNGSA-N 308.309 1.729 0 40 DDAB COc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)c(F)c1 89432735 DJKMVSCLLPNVJU-JSGCOSHPSA-N 308.353 1.998 0 40 DDAB O=C([C@H]1CCCN(c2ccnc(C3CC3)n2)C1)N1CCOCC1 110126298 CSJXHIRHBQQBHC-AWEZNQCLSA-N 316.405 1.429 0 40 DDAB C[C@@H](Nc1cncc(Cl)n1)c1cccc(S(N)(=O)=O)c1 96453255 KRYFFOYLFBZJOO-MRVPVSSYSA-N 312.782 1.951 0 40 DDAB O=C1CO[C@@H]2CN(C3CCOCC3)C[C@H]2N1Cc1ccccc1 1615525389 GYVKLTQHEOPYFE-IAGOWNOFSA-N 316.401 1.277 0 40 DDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C 12735827 AHMOQMYDNWILTI-GFCCVEGCSA-N 323.418 1.372 0 40 DDAB O=c1[nH]n(-c2ccc(Br)cc2)c(=O)c2cccnc12 16430824 UEUXAGIXGFLDGZ-UHFFFAOYSA-N 318.130 1.837 0 40 DDAB COc1ccc(OC[C@H](C)NC(=O)c2cncc(O)c2)cc1 19456717 GMTBCJLKDNAASY-NSHDSACASA-N 302.330 1.993 0 40 DDAB COc1cccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)c1 19898789 KBQZOQZWORZASV-BSDSXHPESA-N 318.369 1.913 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(Cc3cncn3C)CCO2)cc1 643914621 SNNOODPCIGNMET-SFHVURJKSA-N 315.417 1.535 0 40 DDAB CCNC(=O)c1cc(NC(=O)CCC(=O)O)nc2ccccc12 569102553 QIWYJCIRPYZTPO-UHFFFAOYSA-N 315.329 1.788 0 40 DDAB Fc1cnc(N2CCN(c3nc4cnccc4s3)CC2)nc1 1888866893 UBALANACIPGGGG-UHFFFAOYSA-N 316.365 1.947 0 40 DDAB Cc1ccc(N2C[C@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]3C2)nn1 1888906801 CZBFTYNTAPYNAT-RYUDHWBXSA-N 322.376 1.024 0 40 DDAB CCN=c1nc(N2CCN(c3cncc(C)n3)CC2)cc(C)[nH]1 1889090986 RMVVJZFGBFNNQQ-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB Cc1cc(C(=O)N2CC3(C[C@@H](NCC4CC4)CS3)C2)n(C)n1 2056224609 ZEINOZVEELTBJF-CYBMUJFWSA-N 320.462 1.428 0 40 DDAB O=C(NC1CCC1)[C@@H](CCO)n1cc(-c2ccccc2)nn1 2086988548 JGAYATCYLPPFSC-OAHLLOKOSA-N 300.362 1.537 0 40 DDAB CN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12 1565550943 KEFJVIAVBYMWPC-OAGGEKHMSA-N 303.406 1.397 0 40 DDAB O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccncc1 4303834 ILFHCMIWPUZSNY-UHFFFAOYSA-N 315.279 1.721 0 40 DDAB CC(C)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O 31840562 YZZYZRDCVSCBHN-UHFFFAOYSA-N 312.329 1.699 0 40 DDAB CN(C)C(=O)NC[C@@H]1CC2(CCN(C(=O)C(C)(C)C)CC2)O1 503852288 WFNMHOOZLBPSRB-LBPRGKRZSA-N 311.426 1.454 0 40 DDAB Cc1ccnc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298183886 QGPVLJMPLMRGEU-UHFFFAOYSA-N 306.435 1.577 0 40 DDAB CC(C)CC(=O)N1CC[C@H](c2nn(CCN)c3nccnc23)C1 19446234 RPYMHKAPIIBEFF-LBPRGKRZSA-N 316.409 1.147 0 40 DDAB CCOCc1ccccc1CNC(=O)c1ccc(=O)n(C)n1 30178141 AQASFDPRLVVWBA-UHFFFAOYSA-N 301.346 1.247 0 40 DDAB CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 30769035 KEPMHUZELDLQCA-JFILPPLUSA-N 303.406 1.167 0 40 DDAB CCCn1nnnc1COC(=O)c1ccc(CNC(C)=O)cc1 40464871 VJOHTTLBGAAXJN-UHFFFAOYSA-N 317.349 1.076 0 40 DDAB O=c1c2ccccc2nnn1C[C@@H](O)COCc1cccs1 40477418 FDKKVFLUEOJWEK-LLVKDONJSA-N 317.370 1.431 0 40 DDAB CCCNC(=S)N1CCN(C(=S)NCCC)[C@@H](C)C1 20595262 QQKLYFSHSWRTJR-NSHDSACASA-N 302.513 1.562 0 40 DDAB CC(C)Oc1cccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)c1 101675467 WHXKKBWUEIDWQO-LBPRGKRZSA-N 301.306 1.444 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl 32402050 YDTRONHQVPAQOI-UHFFFAOYSA-N 316.810 1.534 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)n[nH]1 21096481 XIYIRHDTRGZACC-UHFFFAOYSA-N 321.358 1.338 0 40 DDAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)N(C)Cc1ccccc1 32824145 LLAJJJOUICAYPB-LLVKDONJSA-N 317.345 1.769 0 40 DDAB O=C(CN1CCN(CCO)CC1)N1CCC[C@H]1c1cccs1 60935081 OSPFRWHHLDXPLM-AWEZNQCLSA-N 323.462 1.022 0 40 DDAB Cc1cc(=O)[nH]c(SCC(=O)c2ccc3c(c2)OCO3)n1 12249814 QNVSMSZFSNVSBG-UHFFFAOYSA-N 304.327 1.782 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(F)cc1-n1cnnn1 12323381 JRVXTSROOSLFPH-UHFFFAOYSA-N 323.291 1.352 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1 53524338 IYEARYKRZDSNNG-UHFFFAOYSA-N 314.349 1.064 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3c[nH]c(C)n3)CCO2)n1 78894325 JQCABPRLGSOOCL-LLVKDONJSA-N 304.354 1.002 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)N(CC)CC)C1 78822498 OYIXXHCZBVSCPD-LSDHHAIUSA-N 311.470 1.872 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1Cn1nnc2ccccc21 3151677 PVJLJLHDVQPIHC-UHFFFAOYSA-N 314.326 1.234 0 40 DDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cnccn2)CC1 104875154 DYHWPQLCRADWQY-KKUMJFAQSA-N 300.406 1.952 0 40 DDAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2S(C)(=O)=O)cc1 100113386 VBDMHRJWICNVNA-LALPHHSUSA-N 311.403 1.887 0 40 DDAB Cn1cc(CNC(=O)N2CCN(c3ccccc3O)CC2)cn1 54810908 YIBWGQLRZNVFED-UHFFFAOYSA-N 315.377 1.158 0 40 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307.379 1.790 0 40 DDAB Cc1cccc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)n1 71195502 QCSUEIXYVZCQHY-UHFFFAOYSA-N 313.361 1.577 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263879 JUKPHKVSDMVKNB-RCCFBDPRSA-N 314.429 1.987 0 40 DDAB CC1(C)Cc2c(sc3c2C2=NCCCN2c2nnnn2-3)CO1 1274274 HLTBZHBFBZGSBU-UHFFFAOYSA-N 316.390 1.545 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCCCC1 72807755 UAFAHIRPDBXWGT-UHFFFAOYSA-N 303.406 1.961 0 40 DDAB Cc1csc(N2CCN([C@H](C)C(=O)N3CCCC3)C[C@H]2C)n1 106844334 UOEWNCCYBJPABO-ZIAGYGMSSA-N 322.478 1.973 0 40 DDAB NC(=O)[C@@H](NCCOc1ccc2c(c1)OCO2)c1ccccc1 56162179 MLCVLJGIUAQNFI-INIZCTEOSA-N 314.341 1.610 0 40 DDAB CN1C[C@@H](C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1=O 56149634 XQIIDEIWEMZBRR-JKSUJKDBSA-N 316.401 1.673 0 40 DDAB CC(=O)NCCNC(=O)c1cc(Br)ccc1F 35127424 IQNLRTSJEMHSQH-UHFFFAOYSA-N 303.131 1.454 0 40 DDAB Cc1cccc(N2CCN(C(=O)NC[C@H]3COCCO3)CC2)c1 57081892 WZZDZHPPEKLIDE-INIZCTEOSA-N 319.405 1.242 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355076 YEJDPGWPABRXOA-XJKSGUPXSA-N 322.380 1.888 0 40 DDAB CCCc1noc([C@H](C)N2CCN(c3ncccn3)CC2)n1 44583970 GLKCBUDRUXNEJN-LBPRGKRZSA-N 302.382 1.695 0 40 DDAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(C)n[nH]1 51356635 QOINSZCNRGOATG-UHFFFAOYSA-N 303.318 1.912 0 40 DDAB O=C(c1cscn1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1 107191694 GBMATWFBSRUGJP-XJKSGUPXSA-N 321.446 1.860 0 40 DDAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 44893888 DOULHMGOYQKWOP-YPMHNXCESA-N 311.403 1.697 0 40 DDAB CC(C)CN1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 95349563 JIBSBUZIUCNOIZ-LBPRGKRZSA-N 310.394 1.395 0 40 DDAB Cc1cccc(NC(=O)CCNC(=O)c2ccc3[nH]nnc3c2)n1 58209662 GYJIMBLLKXTKQH-UHFFFAOYSA-N 324.344 1.420 0 40 DDAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc2c(c1)OCCO2 26881357 HJYTYJOWIWPDGI-NSHDSACASA-N 323.370 1.960 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cncn1 45169149 OHXABUZTKDRJQW-GFCCVEGCSA-N 303.341 1.327 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)c1ccc(N2CCCC2=O)cc1 36398435 IBWFOAWTXHARTJ-GFCCVEGCSA-N 313.361 1.223 0 40 DDAB c1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)nc1 107728891 BBUFIYUDWGHPGR-WBVHZDCISA-N 311.389 1.717 0 40 DDAB COCC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 100158971 MCNBCHZXWBAAFP-TXEJJXNPSA-N 303.366 1.161 0 40 DDAB COc1ccccc1CN(C)C(=O)CN1CCN(C2CC2)CC1 95956247 QSADGKSNOMVGOT-UHFFFAOYSA-N 317.433 1.434 0 40 DDAB CCOC(=O)[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 3303332 WIEWCUYYGJROKL-LBPRGKRZSA-N 301.350 1.442 0 40 DDAB Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1ccn(C)n1 28235473 FUKCJKRCXLUCSA-UHFFFAOYSA-N 301.272 1.973 0 40 DDAB Cc1c(CNC(=O)c2nc(-c3cccs3)no2)cnn1C 2733217 SRAGIGRLQKILAR-UHFFFAOYSA-N 303.347 1.770 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN(CN2CCOC2=S)C1 12819804 QLSHIVYRCYFZGJ-CYBMUJFWSA-N 319.430 1.912 0 40 DDAB O=C(CCN1CCSC1=O)NCc1ccc(C(=O)O)cc1 13317256 STLGKYBNGIUQFL-UHFFFAOYSA-N 308.359 1.560 0 40 DDAB Cc1ccc(C)n1-c1sccc1C(=O)NCCOC(N)=O 97232635 CRWRFZRNJMZKCV-UHFFFAOYSA-N 307.375 1.981 0 40 DDAB Cc1nc(C)c(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)s1 96010217 GUUWVGXTBIFFQN-UHFFFAOYSA-N 302.359 1.860 0 40 DDAB NC(=O)CSc1nnc([C@H](N)Cc2c[nH]c3ccccc23)o1 6252783 DYALNWVMVKSPGT-SNVBAGLBSA-N 317.374 1.371 0 40 DDAB CC[C@H](CNC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 65522934 AZSAFAYXMRUUPL-GFCCVEGCSA-N 315.377 1.684 0 40 DDAB CCNC(=O)CCN1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 65605615 GQJMORUKUBVPOR-GJZGRUSLSA-N 311.470 1.334 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@H]1COc2ccccc2O1)C(C)C 9313955 BZOGXUTZGMKMPH-WFASDCNBSA-N 306.362 1.103 0 40 DDAB O=C(OCC(=O)N1CCCC1=O)c1cnc(Cl)c(Cl)c1 6643127 GNQVPCXQWJXGEE-UHFFFAOYSA-N 317.128 1.694 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccnc(N(C)C)c1 67621721 QFFAYFJDKAZWPJ-CQSZACIVSA-N 318.421 1.621 0 40 DDAB Cc1cncc(C(=O)N2CCCN(C3CCOCC3)CC2)c1 80398196 JMYPXLLDOZMBOG-UHFFFAOYSA-N 303.406 1.717 0 40 DDAB O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H](O)C[C@@H]1CO 95445351 ZOQLWGLWQBLAOJ-BDAKNGLRSA-N 304.268 1.665 0 40 DDAB Cc1cccc(OCC(=O)N2CCC(N3CCOCC3)CC2)c1 19868131 NAINWHJYNPJNMV-UHFFFAOYSA-N 318.417 1.697 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCN1 88059399 PMDRFVLRNAFAEV-SECBINFHSA-N 324.324 1.568 0 40 DDAB c1ccc(-n2ncc(CN3CCO[C@@H](Cn4cccn4)C3)n2)cc1 69392633 OHVZOLSUIRFWDF-QGZVFWFLSA-N 324.388 1.365 0 40 DDAB O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1Cl 69387004 CCPIBOUOVDLLFU-BBRMVZONSA-N 321.808 1.971 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCN1c1nccs1 71896079 RPCKBTWPCHNSIX-QWHCGFSZSA-N 309.435 1.997 0 40 DDAB COc1ccc(CNCCCN2CCC(C(N)=O)CC2)cc1 71852308 GYBNZOGVWZZOGM-UHFFFAOYSA-N 305.422 1.372 0 40 DDAB NC(=O)CCS(=O)(=O)Cc1csc(-c2ccsc2)n1 71817337 BMADTBUZKPKJJZ-UHFFFAOYSA-N 316.429 1.662 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1coc(Br)c1)C2 69461657 AMHUVNLNIDOALE-UHFFFAOYSA-N 311.139 1.598 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCCO2 71829874 UGSVOEXDYWRARS-AAEUAGOBSA-N 318.373 1.113 0 40 DDAB COC(=O)c1cc(N[C@H]2CCNC2=O)ccc1Br 91551185 XSQHHJSLZPKIKU-JTQLQIEISA-N 313.151 1.536 0 40 DDAB CCC(CC)n1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)n1 95971833 LSDCLYIDCAIMDM-CQSZACIVSA-N 313.423 1.551 0 40 DDAB CCn1cnnc1C1CCN(C(=O)c2ncccc2O)CC1 69516479 OBZZJVSIIIOGFD-UHFFFAOYSA-N 301.350 1.418 0 40 DDAB CSCc1ccc(NC(=O)C(=O)NCCC(=O)N(C)C)cc1 69632490 DVDQUCUCZJLDJY-UHFFFAOYSA-N 323.418 1.083 0 40 DDAB CCc1nc(CN2CCCN(Cc3cscn3)CC2)no1 83830446 JCBRNJLCVLRRAG-UHFFFAOYSA-N 307.423 1.796 0 40 DDAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@H]2CCOC2)CC1 69817522 ZPCPYFISLBZNNI-HNNXBMFYSA-N 320.437 1.535 0 40 DDAB CN1C[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1=O 69814814 SWPCMFLEKNBFIA-SNVBAGLBSA-N 318.764 1.943 0 40 DDAB Clc1cc(CN[C@@H]2CCc3ncnn3C2)cc2c1OCO2 69843637 CTALZIFGEISBHE-SNVBAGLBSA-N 306.753 1.765 0 40 DDAB CCc1nsc(N2CCCN(C(=O)NCC3CC3)CC2)n1 89295547 AHSFTEOSPGHLNF-UHFFFAOYSA-N 309.439 1.732 0 40 DDAB CCCCn1c(N)c(N(C)Cc2c(C)noc2C)c(=O)[nH]c1=O 9613887 WIBJLYAWQXSCPW-UHFFFAOYSA-N 321.381 1.160 0 40 DDAB CCc1ncc(NC(=O)NCc2cccc(N(C)C)n2)cn1 95981908 CQZQJLJUJBBPEC-UHFFFAOYSA-N 300.366 1.822 0 40 DDAB Cc1ccc(CNC(=O)N2CCOC[C@@H]2C)c(N2CCCC2)n1 97080665 RWQAVLKSJZSNMU-AWEZNQCLSA-N 318.421 1.921 0 40 DDAB O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCS(=O)CC1 97032058 JTVTVLWVTWWDDW-LLVKDONJSA-N 322.213 1.618 0 40 DDAB C[C@@H]1CN([C@@H](CN[C@@H]2CCN(C)C2=O)c2cccs2)CCO1 72286549 XATYVKAARWBWNL-MCIONIFRSA-N 323.462 1.330 0 40 DDAB COC[C@@H](O)CN(C)C(=O)CCc1cc(OC)ccc1OC 75092807 JUTYVBGATIIUOF-ZDUSSCGKSA-N 311.378 1.102 0 40 DDAB COc1ccc([C@H](O)CNC(=O)c2ccc(C)[nH]c2=O)cc1 75119727 ODUHUDXKAUOKCR-CQSZACIVSA-N 302.330 1.155 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)C[C@H](C)O1 89704984 LAMLENQIUACMRT-RYUDHWBXSA-N 305.378 1.147 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cnc(C)cn3)CCO2)n1 76045804 QWMOSCRYLLYGSE-GFCCVEGCSA-N 316.365 1.069 0 40 DDAB O=C1C=C(C(=O)O)[C@H]2C(C3CC3)=NN(c3ccc(F)cc3)[C@@H]2N1 35655606 SQNLEOIJBHWJBY-ZFWWWQNUSA-N 315.304 1.495 0 40 DDAB O=C1N[C@H](c2ccccc2)c2cc3c(cnc4ncnn43)c(=O)n21 22606870 XJBMRCDEPPWIGI-CYBMUJFWSA-N 318.296 1.100 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)[nH]n1 69530078 NYNFPVIEHHTNMO-JTQLQIEISA-N 302.309 1.849 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC([C@H]3CNC(=O)C3)CC2)cn1 1551716168 YUXSZJBKRSSPJD-CQSZACIVSA-N 316.405 1.136 0 40 DDAB CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1ccc(O)c(OC)c1 408731599 NVUCGQQERRUWNP-CYBMUJFWSA-N 305.334 1.407 0 40 DDAB CN1C(=O)C2(CCN(Cc3cccnc3)CC2)Nc2cccnc21 306140984 VIGBBKMHRGFJKV-UHFFFAOYSA-N 323.400 1.900 0 40 DDAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2)N1CCCC1 72334586 SGEQEVLIQNQQPZ-VMZNBEPHSA-N 304.390 1.716 0 40 DDAB O=C1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]([C@H]2CCCO2)N1 562552624 MTXLTGYCOGEUNK-OUCADQQQSA-N 323.780 1.291 0 40 DDAB CCCn1nnnc1CN(CCC(N)=O)c1ccc(F)cc1 77279854 GEMKPWPMAUOMJV-UHFFFAOYSA-N 306.345 1.104 0 40 DDAB COc1cccc(CNC(=O)c2cnc3ccccn3c2=O)c1 32899971 MLXXEMIGWBQKCY-UHFFFAOYSA-N 309.325 1.633 0 40 DDAB COc1ccc(CCCC(=O)N[C@H]2CCN(C)C2=O)cc1F 84549892 LPJLHTQPJKGUFX-ZDUSSCGKSA-N 308.353 1.504 0 40 DDAB Cc1cc(NC(=O)Cn2cnc3c(C)csc3c2=O)no1 195417091 LIHSPPGVKFJMOF-UHFFFAOYSA-N 304.331 1.702 0 40 DDAB C[C@]1(c2cccc(NC(=O)C3CCCC3)c2)NC(=O)NC1=O 40110896 SZPAARZUTXGPSD-MRXNPFEDSA-N 301.346 1.870 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](CNc3ncc(F)cn3)C[C@@H]2C)no1 1068272895 ZBWKOOUUDGSFBZ-GXSJLCMTSA-N 319.340 1.875 0 40 DDAB O=C(c1cnn(C2CCCCC2)c1)N1CCN(CCO)CC1 87084386 LLQYADCCBJLTIH-UHFFFAOYSA-N 306.410 1.138 0 40 DDAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 46112637 UXTQQKTZVRNUOM-UHFFFAOYSA-N 324.384 1.722 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc3nncn3c2)cc1 49408289 IJXIZFGOZFYIAC-UHFFFAOYSA-N 304.331 1.539 0 40 DDAB Cn1nc(OCCCC(=O)N2CCOCC2)c2ccccc21 226865285 KEVNQNRDOQCCTP-UHFFFAOYSA-N 303.362 1.591 0 40 DDAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NC[C@H]1CCCO1 225743712 KRCTUWVTEFSBKY-CYBMUJFWSA-N 300.358 1.605 0 40 DDAB COCCCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1 40745924 YSZZOZBAPFLIPB-UHFFFAOYSA-N 322.390 1.500 0 40 DDAB COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 223856353 ZSAZMBHKERTEJH-UHFFFAOYSA-N 303.767 1.911 0 40 DDAB CN1CC[C@H](NC(=O)N2CCc3c(F)ccc(F)c3C2)C1=O 84160426 YMVZAHGKNPJSQU-ZDUSSCGKSA-N 309.316 1.263 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccncc2)cn1 96186488 BCAFAMDTEYMTAN-HZPDHXFCSA-N 311.389 1.585 0 40 DDAB CN(C)[C@@H]1COC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96158636 ZPVNFBWIKSQJLQ-HNNXBMFYSA-N 303.406 1.336 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107006 RMQJVPOJUQRWJQ-LBPRGKRZSA-N 312.391 1.044 0 40 DDAB CN(C)CC(=O)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 96226226 IVGXIPNFBNTGDF-GOSISDBHSA-N 317.433 1.446 0 40 DDAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(c1ncccn1)C2 96205944 BUFZXBGHMRRHPO-CJNGLKHVSA-N 304.394 1.188 0 40 DDAB CCOC[C@@H]1CN(c2cc(OC)ncn2)Cc2cnn(C)c21 96044710 KPKDKKABCFYLME-LBPRGKRZSA-N 303.366 1.359 0 40 DDAB COc1ccc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)CC[C@H]32)cc1 96057325 PCHLPJABMVTLSQ-ZACQAIPSSA-N 318.417 1.905 0 40 DDAB c1cc2nnnn2nc1N1CCC[C@H](N2CCCCCC2)C1 96404810 IKCTXONYJXMNOV-ZDUSSCGKSA-N 301.398 1.364 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)o1 96056474 UHSLLXIBNCRWOB-HZPDHXFCSA-N 305.422 1.715 0 40 DDAB CS(=O)(=O)NCC[C@H]1CCCCN1c1ncc(Cl)cn1 96466149 NOQYOYMHJOENTM-LLVKDONJSA-N 318.830 1.428 0 40 DDAB COCCC(=O)N1CCN(CC2CC2)c2nc(C)ccc2C1 96199083 GEJSTLDSKNSSPW-UHFFFAOYSA-N 303.406 1.985 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1CC(=O)O 237685767 FZXDQQIDYWCHIT-UHFFFAOYSA-N 301.346 1.845 0 40 DDAB CC(C)C[C@@H]1COCCN1C(=O)Nc1ccn(CCN(C)C)n1 96435375 HKYWXRGMGQGVGX-CQSZACIVSA-N 323.441 1.724 0 40 DDAB COCCN1CC[C@]2(COCCN(C(=O)c3ccco3)C2)C1 96062317 NPVAICTUNDHIDN-INIZCTEOSA-N 308.378 1.091 0 40 DDAB Fc1cnc(N2CC[C@]3(CCCN(c4nncs4)C3)C2)nc1 96217165 MVLAVPVHBIFMCD-CQSZACIVSA-N 320.397 1.964 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 257265381 LYKYLCIKIXKZTE-NSHDSACASA-N 300.366 1.336 0 40 DDAB O=C(CC1CC1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257305536 SQMGVCOKCLKDSR-IAGOWNOFSA-N 300.402 1.417 0 40 DDAB CC(=O)N1C[C@@H]2CN(C(=O)C3CCCC3)CCN2C(C)(C)C1 253403143 PJIBGQSBLIEBOI-HNNXBMFYSA-N 307.438 1.330 0 40 DDAB biogenic,in-vitro CC(=O)N1CCC(c2nc(C)cc(N3C[C@H](C)OC3=O)n2)CC1 257212027 CBPKCNVSEVCMID-NSHDSACASA-N 318.377 1.856 0 40 DDAB CNc1nc([C@@]2(C)CCCN(C(=O)COC)C2)cn2cccc12 257255127 KGEWTZQXNZSKIO-KRWDZBQOSA-N 316.405 1.903 0 40 DDAB Cc1nc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)co1 257276667 NUQZBIIJKFDJOW-GJZGRUSLSA-N 317.345 1.423 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CC[C@](O)(CN2CCCC2)C1 257247845 JAVFLKBBEOBTRB-KRWDZBQOSA-N 314.389 1.236 0 40 DDAB Nc1cnc(C[C@@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 257320190 VVRMCUVWVPKYEF-CYBMUJFWSA-N 314.393 1.127 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1 25369244 PFHDKINGTYOLRA-UHFFFAOYSA-N 323.374 1.794 0 40 DDAB CCCS(=O)(=O)NCc1cnc(C)nc1[C@H]1CCCN1C 257340891 ZHYSGROBUWZHEU-CYBMUJFWSA-N 312.439 1.381 0 40 DDAB CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(C)S3(=O)=O)cc1 260834413 LVANUISSEKATTI-IINYFYTJSA-N 310.375 1.058 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@@H](C)C2 585097701 MVYYNGVMWTXBQD-NSHDSACASA-N 318.377 1.803 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@@H]2CCCO2)c1 65409039 HFSWLCPJKTUGFD-JSGCOSHPSA-N 324.377 1.215 0 40 DDAB C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)n1cncn1 44908784 ZFGZALCCFSMVQT-VXGBXAGGSA-N 302.334 1.138 0 40 DDAB COC(=O)N(C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 47793843 OROZUPGPFANMEX-UHFFFAOYSA-N 316.304 1.945 0 40 DDAB CCc1cc(NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)n2ncnc2n1 51903406 BAZFZBOWJZIIKA-YNEHKIRRSA-N 318.425 1.596 0 40 DDAB COC(=O)CN(C)C(=O)Nc1ccc(OC)cc1C(=O)OC 98174915 QLEMJLDDSQJKOT-UHFFFAOYSA-N 310.306 1.119 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnn(CC)c1)CC2 89305761 NKDLOLFEFUNEMD-KGLIPLIRSA-N 307.394 1.295 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Cl)C(=O)[C@@H]13)O2 100018581 ILPCHWSTHYTTHA-UUIJZJDISA-N 305.717 1.711 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(=O)n(C)c1 89755098 QUYAPXHMRQHWFS-UHFFFAOYSA-N 315.329 1.778 0 40 DDAB Cn1c(C(=O)Nc2cnn(CC(N)=O)c2)ccc1-c1ccccc1 95401606 MAUPYKSLKANVIW-UHFFFAOYSA-N 323.356 1.626 0 40 DDAB COc1ccccc1/C(C)=C/C(=O)N1CCO[C@H](CC(=O)O)C1 95970730 SWDNJRUGYYJFMQ-CNELAYHGSA-N 319.357 1.801 0 40 DDAB CCS[C@@H]1CC[C@H](N(C)CC(=O)NC[C@@H]2CCCO2)C1 76067585 VXVABHFRRQBWKJ-MELADBBJSA-N 300.468 1.888 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)n[nH]2)s1 40522089 PPIDOEIQTWWHSZ-JTQLQIEISA-N 318.402 1.845 0 40 DDAB O=C(NCCc1ccc(OC(F)F)cc1)[C@H]1CSCN1 40832807 NNHHTNCDCLJSMI-LLVKDONJSA-N 302.346 1.609 0 40 DDAB COc1cc(/C=C/CN[C@H](C(=O)O)[C@H](C)[C@@H](C)O)ccc1O 1772592047 XXYLZEKPQREHDD-GEWVXNBWSA-N 309.362 1.474 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H]3OC(C)(C)O[C@H]23)cc1 5575145 CHGSRESNWMBIGI-RDBSUJKOSA-N 312.387 1.688 0 40 DDAB CCS(=O)(=O)N1CC=C[C@@H]1C(=O)Nc1ccc(OC)cc1 13565355 QJPLWFSWLFIEFI-CYBMUJFWSA-N 310.375 1.224 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)N1CCn2nccc2C1 238823143 DCTFLAOWJOBUTM-UHFFFAOYSA-N 323.356 1.026 0 40 DDAB C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 93467945 IBPZSXPJZASLOK-NXEZZACHSA-N 305.346 1.889 0 40 DDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2(F)CC2)cn1 1614946953 HPKAPZVACRDICY-LSDHHAIUSA-N 321.396 1.861 0 40 DDAB O=c1c2cnn(CCO)c2ncn1Cc1c(F)cccc1Cl 4940563 ZXQNHEFHEGGTHF-UHFFFAOYSA-N 322.727 1.426 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713543 CLEDWQJOIACKGS-LBPRGKRZSA-N 304.394 1.208 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1F 22999043 CECSOCLPXXAABV-UHFFFAOYSA-N 307.369 1.531 0 40 DDAB Cn1cnc2c(NC[C@H](O)c3ccc4c(c3)CCO4)ncnc21 1775970351 CYXUDQVIASTMEA-LBPRGKRZSA-N 311.345 1.444 0 40 DDAB Cc1cc(C)cc(OCCN2CCN(S(C)(=O)=O)CC2)c1 40005788 LSOCNQTXAMKYSD-UHFFFAOYSA-N 312.435 1.259 0 40 DDAB CCC(C)(C)NC(=O)CCC1=C(C)NS(=O)(=O)N=C1C 40467401 BRQXXVWETDQLJI-UHFFFAOYSA-N 301.412 1.654 0 40 DDAB Cc1ccc(NC(=O)COCC(F)(F)F)cc1-n1cnnn1 40548531 DZQRRJFPYKWLKR-UHFFFAOYSA-N 315.255 1.488 0 40 DDAB NS(=O)(=O)c1cccc(CNC(=O)Nc2cccnc2)c1 40554037 PGZBFBJENMEROW-UHFFFAOYSA-N 306.347 1.051 0 40 DDAB CNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420701 BOIWXJVZSIEOPW-UVPYHEFZSA-N 324.380 1.151 0 40 DDAB O=C1NCCCC[C@H]1Sc1nnc2[nH]c3ccccc3n12 32871617 NRXFQUBEVKYIBY-LLVKDONJSA-N 301.375 1.971 0 40 DDAB C[C@H]1c2ccsc2CCN1C(=O)CC[C@H]1NC(=O)NC1=O 52568200 GVUXKYRALVYJLV-WCBMZHEXSA-N 307.375 1.182 0 40 DDAB COCCCNC(=O)CN(C)Cc1cnn(-c2ccccc2)c1 52685864 FNVQSBNQASATBW-UHFFFAOYSA-N 316.405 1.457 0 40 DDAB Cc1cc(C(=O)NC2=NCCS2)ccc1N1CCNC1=O 53137386 BRLNNKIZOUEEOG-UHFFFAOYSA-N 304.375 1.357 0 40 DDAB COc1ccc(-c2noc(C(=O)NCCN(C)C)n2)cc1OC 12391227 WFPFDXJTGVDKQP-UHFFFAOYSA-N 320.349 1.045 0 40 DDAB Cc1cc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)n(C)n1 47489722 SSRNHRHQQAMPNN-UHFFFAOYSA-N 316.361 1.812 0 40 DDAB COc1c[nH]c(C(=O)N2CCN(c3ccccc3)CC2)cc1=O 61721284 LMVURTUTPNOEAA-UHFFFAOYSA-N 313.357 1.346 0 40 DDAB CCCCc1nc(CN2Cc3ccccc3C[C@H]2C(N)=O)no1 53603900 RUMLCLUDAGZRLE-AWEZNQCLSA-N 314.389 1.824 0 40 DDAB C[C@@]1(NC(=O)C/C=C/c2ccc(F)cc2)CCS(=O)(=O)C1 78985061 FXDHCZBFBMKXER-XYBNCVKDSA-N 311.378 1.922 0 40 DDAB CC(C)(C)SCC(=O)N1CCN(C[C@@H]2CCOC2)CC1 79018939 JVFYEMNHMQSEGD-ZDUSSCGKSA-N 300.468 1.699 0 40 DDAB O=C(CCC(=O)N1CCOCC1)N[C@@H]1CCc2ccccc21 53777651 ILGNLFQTVNPADA-OAHLLOKOSA-N 302.374 1.429 0 40 DDAB C[C@@H](Sc1ccccn1)C(=O)Nc1ncnc2nc[nH]c12 12542726 NZMZMBXJTLDHHL-MRVPVSSYSA-N 300.347 1.867 0 40 DDAB Cc1nccn1CC(=O)NCCc1ccc2c(c1)OCCO2 22892417 MLZZWAWVFREEET-UHFFFAOYSA-N 301.346 1.322 0 40 DDAB COc1ccc(OC)c(NC(=O)c2cc(=O)c(OC)cn2C)c1 23135503 VBLJSZUFTAAYKH-UHFFFAOYSA-N 318.329 1.663 0 40 DDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 54226060 XFEVZUCYLKSXKN-CJNGLKHVSA-N 311.385 1.940 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 4825489 UWOMSRJTBQZUKI-MELADBBJSA-N 301.342 1.858 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2N)cc1F 4984806 SEYSGQAHHRSTJD-LLVKDONJSA-N 319.340 1.206 0 40 DDAB CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 6541604 RPMHBKPOIIURDJ-ZDUSSCGKSA-N 312.435 1.405 0 40 DDAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 8656835 OACULVCOXVDKAF-UHFFFAOYSA-N 323.356 1.590 0 40 DDAB COc1ccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 24606147 BFIOGQPIERCZGX-AWEZNQCLSA-N 322.405 1.301 0 40 DDAB CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 106517099 QBCJFUXOENESQA-UONOGXRCSA-N 304.390 1.678 0 40 DDAB C[C@H]1CCCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)C1 106585469 QOHUFLOPFABEAE-DZGCQCFKSA-N 317.389 1.596 0 40 DDAB O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1 27197497 HVMMZQQOKHNNIV-HNNXBMFYSA-N 300.358 1.771 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C3(CC3)[C@H]1[C@]13O[C@]21[C@@H]1CC[C@@H]3C1 104295345 XUXJNGQUNVJARC-PVLSDUEOSA-N 316.353 1.607 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc[n+]([O-])cc1 57638084 QZKFGUPLCMPOAI-UHFFFAOYSA-N 300.314 1.711 0 40 DDAB Cc1noc(C)c1CC(=O)NCCOc1ccc2c(c1)OCO2 57843313 YWHQYQOJNFUKRL-UHFFFAOYSA-N 318.329 1.758 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCc2ccccc2C1 102303576 XEZFFERJUYWIDH-AJNGGQMLSA-N 301.342 1.450 0 40 DDAB CCOCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 2065753 LZZXDKYNWBMPPR-UHFFFAOYSA-N 314.407 1.239 0 40 DDAB CCCNC(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 3377837 URCBXPDLPHVORK-SOFGYWHQSA-N 307.346 1.786 0 40 DDAB COC(=O)[C@H](CNC(=O)Cn1ncc2ccccc21)CC(C)C 72295823 CNUWBQMMZSJCRB-AWEZNQCLSA-N 317.389 1.988 0 40 DDAB O=C1[C@H](Nc2ncnc3[nH]cnc23)CCN1Cc1ccccc1 58327690 ORSHTUPNXPQRHK-GFCCVEGCSA-N 308.345 1.566 0 40 DDAB O=C(NCCCNC[C@H]1CNc2ccnn2C1)c1ccccc1 58326343 LAULRKNCCXMTPL-AWEZNQCLSA-N 313.405 1.335 0 40 DDAB COc1c(CNC[C@H]2CCS(=O)(=O)C2)c(C(C)C)nn1C 58421657 JFIGGNATUHKAFA-LLVKDONJSA-N 315.439 1.076 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCSc2c(F)cccc21 72270107 MJLIXYZZUIQKJS-SKDRFNHKSA-N 323.393 1.893 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)Nc1nccs1 72268570 CCMRIPWQQQQCEM-QWHCGFSZSA-N 322.434 1.557 0 40 DDAB COCCN1CC[C@]2(CCCN(Cc3ccnn3C)CC2)C1=O 108529346 NFZMKOPUCLVYRQ-QGZVFWFLSA-N 320.437 1.271 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCCOc2ccc(F)cc2)C1 28332777 SQTZOZGXNVZEBZ-LBPRGKRZSA-N 316.398 1.771 0 40 DDAB CN1CCN(c2cc(CNC(=O)c3ccccn3)ccn2)CC1 48303310 ALWHZIZPBINPBH-UHFFFAOYSA-N 311.389 1.158 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1 45464340 UFWPTXZPAQGGIO-XNWIYYODSA-N 307.316 1.624 0 40 DDAB COc1cccc(CN2CCO[C@H](Cn3nc(C)nc3C)C2)c1 72267575 JZGZQDIMVOWQHG-KRWDZBQOSA-N 316.405 1.805 0 40 DDAB Cc1cc(NC(=O)C2=COCCO2)ccc1N1CCCC1=O 11740814 MMAXQRWNHLDDBI-UHFFFAOYSA-N 302.330 1.949 0 40 DDAB Cc1c(C(=O)NC(C)(CO)CO)cccc1-c1ccccn1 97108759 HAALNJVEBTWWCL-UHFFFAOYSA-N 300.358 1.530 0 40 DDAB COc1ncccc1NC(=O)NCC(C)(C)N1CCOCC1 48414129 RZMHZVSCQZOTDW-UHFFFAOYSA-N 308.382 1.323 0 40 DDAB NC(=O)COc1cccc(Cn2cc(Br)cn2)c1 49487982 IJWYYYHXXYFQAG-UHFFFAOYSA-N 310.151 1.558 0 40 DDAB Cn1cnnc1SCC(=O)Nc1ccnn1C1CCCC1 6063150 PXNRKARUWWHDKD-UHFFFAOYSA-N 306.395 1.858 0 40 DDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NCc1ccco1 5088967 NCIJQPZMJDBZFI-UHFFFAOYSA-N 301.281 1.389 0 40 DDAB NC(=O)CSc1nc2sc3c(c2c2ncnn12)CCCC3 4295226 MVNZAICSUAMHKQ-UHFFFAOYSA-N 319.415 1.795 0 40 DDAB CCc1nc(N(CCO)CCO)c2oc3ccccc3c2n1 5180480 HSADOIQXZVUDMG-UHFFFAOYSA-N 301.346 1.729 0 40 DDAB CC(C)c1ncncc1C(=O)NCCNC(=O)c1ccco1 65410706 UXMNYCARGHIJIQ-UHFFFAOYSA-N 302.334 1.353 0 40 DDAB Nc1nccnc1C(=O)OCc1nc(-c2ccc(F)cc2)no1 14060079 KMWMOPFAVCOOER-UHFFFAOYSA-N 315.264 1.605 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 14071189 SIMQRBCXJWYLSG-TXEJJXNPSA-N 320.389 1.677 0 40 DDAB C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc(=O)n2nccc2[nH]1 66498165 BDHGAHIGNOXVED-BBRMVZONSA-N 324.384 1.985 0 40 DDAB NC(=O)CSc1nc2c(N)ncnc2n1Cc1ccccc1 6804303 XRLIYJJWKUYCPQ-UHFFFAOYSA-N 314.374 1.034 0 40 DDAB CC(C)CS(=O)(=O)N1CCC(NCc2ccccn2)CC1 96494785 VCODESWUPGISND-UHFFFAOYSA-N 311.451 1.621 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(F)cc1 8212124 SIRUPPFBGVNYOW-UHFFFAOYSA-N 308.338 1.776 0 40 DDAB CSCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)O 9550292 WIHFIKJBMOSUAE-BXKDBHETSA-N 315.366 1.916 0 40 DDAB NC(=O)c1ccc(=O)n(Cc2cc(-c3cccs3)on2)n1 69419739 QXJINQZPHRQJRO-UHFFFAOYSA-N 302.315 1.107 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)c3ccc[nH]3)CC2)n1 69518254 GDCFYAXFHWIJDV-UHFFFAOYSA-N 315.377 1.474 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nc(-c3cccs3)no1)CC2 69659357 HIJZQYDIGHPVIH-SNVBAGLBSA-N 316.390 1.803 0 40 DDAB COCCN1CCN(CC(=O)NCCC2=CCCCC2)CC1 69624515 ODVGFWYQOCPQDH-UHFFFAOYSA-N 309.454 1.257 0 40 DDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C1CC1 8502540 XBAJPTGNQNWZRK-APPDUMDISA-N 315.373 1.368 0 40 DDAB CN(Cc1ccc(Br)s1)C[C@H](O)COCCO 83862654 YICKOVMQORYRDB-VIFPVBQESA-N 324.240 1.312 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 69815284 MBUKYLOXMLOTJF-OAHLLOKOSA-N 305.426 1.229 0 40 DDAB COc1ccc(CCNC[C@H]2CNc3ccnn3C2)cc1OC 69877815 IROHUJSIXCABIM-AWEZNQCLSA-N 316.405 1.774 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)N1 69970975 HFKJQPDTSDIWSO-NSHDSACASA-N 304.737 1.743 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1c(C)noc1C)C2 69971019 UBUCGMANLSVXHO-UHFFFAOYSA-N 301.350 1.712 0 40 DDAB CCN1CCN(C(=O)c2cc(-c3ccccc3O)no2)CC1 18210338 YBQBQMXBTDLZSY-UHFFFAOYSA-N 301.346 1.825 0 40 DDAB CC(C)(C)c1nnnn1C[C@@H](O)COCc1ccccc1F 84325443 VMJGVAQWOLTRDG-GFCCVEGCSA-N 308.357 1.687 0 40 DDAB O=S(=O)(c1ccccc1)N1CCCC[C@@H]1Cn1ccnn1 95469252 YNQQPBOVJTVHRH-CYBMUJFWSA-N 306.391 1.522 0 40 DDAB Cc1cc(N(CCCO)S(C)(=O)=O)ccc1Br 95988705 FGBCQEPLWUAZTR-UHFFFAOYSA-N 322.224 1.906 0 40 DDAB CCN1C(=O)C[C@H](N2CCO[C@H](c3ccc(F)cc3)C2)C1=O 85877607 CYNAWULLVAAYDX-KBPBESRZSA-N 306.337 1.346 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C)nn2C)cc1 89591700 KFRHTZSLNGXDLP-CYBMUJFWSA-N 317.345 1.683 0 40 DDAB Cc1ccc(C(=O)N2CCC(CN(C)C(C)C)CC2)c(=O)[nH]1 75124158 ACLHIJYIHKPSSC-UHFFFAOYSA-N 305.422 1.876 0 40 DDAB CN(C)S(=O)(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 89662217 ISCKVGDQFLNTPJ-NSHDSACASA-N 321.443 1.172 0 40 DDAB O=C1NC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)N1 89782858 ISHLTXOAHVZLPQ-ZIAGYGMSSA-N 305.353 1.855 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccccc3F)C[C@H]2C)CC1 76055410 VOPQDTYFIRVYOP-KDOFPFPSSA-N 319.424 1.810 0 40 DDAB CCCc1n[nH]c([C@H]2CN(CCc3cnn(C)c3)CCO2)n1 76049599 GAVQCZABNSULRY-CYBMUJFWSA-N 304.398 1.107 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)c2cc3cccc(F)c3o2)cn1 76085115 DPNYXOFKBKSQPK-INIZCTEOSA-N 317.320 1.943 0 40 DDAB NC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 409123257 BEQVOHYFAGTUMM-WZUFQYTHSA-N 301.327 1.451 0 40 DDAB NC1(C(=O)NCC[C@@H]2CN(Cc3ccco3)CCO2)CCCC1 67894269 AXRGDNUSUNRBFI-OAHLLOKOSA-N 321.421 1.258 0 40 DDAB O=C1c2ccccc2C(=O)N1CN1C(=O)COc2ccccc21 408600439 YIEJUBSEYPRDHQ-UHFFFAOYSA-N 308.293 1.666 0 40 DDAB Cc1cc(C(F)(F)F)nc([C@@H]2CCCN(C(=O)CO)C2)n1 72366618 JGAHMSILYDAQEF-SECBINFHSA-N 303.284 1.502 0 40 DDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccccn1 36589771 GVZXAUHAGFLLMS-CYBMUJFWSA-N 324.340 1.551 0 40 DDAB CCN(C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O)C1CC1 32331239 STUIMEDAYRHYMN-GFCCVEGCSA-N 315.373 1.855 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2cc(C3CCCCC3)no2)CCO1 72379791 XQLARVPORJRAFC-MRXNPFEDSA-N 321.377 1.439 0 40 DDAB COCC(=O)N1CCC(n2nc3c(cc2=O)CCCCC3)CC1 72342417 QCQYLUZYNWLOTP-UHFFFAOYSA-N 319.405 1.322 0 40 DDAB COCCOc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1 566493366 CZVPCMYVVLJUTE-UHFFFAOYSA-N 319.313 1.786 0 40 DDAB COc1ccc(C)cc1[C@@H](C)N[C@H](C)C(=O)N1CCOCC1 69529371 HEUIYPDOELWKQN-ZIAGYGMSSA-N 306.406 1.902 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)s1 74803321 XAHSPYUEHQLQKE-SECBINFHSA-N 300.405 1.098 0 40 DDAB O=C(NCCC1=CN=C(O)N[C@H]1O)Nc1ccc(Cl)cc1 225222347 HYEYEALBPYGZMQ-NSHDSACASA-N 310.741 1.571 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCCCc1ccc(F)cc1 223283545 WAVYXTALKUVXDN-UHFFFAOYSA-N 306.337 1.414 0 40 DDAB CNc1ncc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cn1 226083635 KVFIOAHTYCYGBL-HNNXBMFYSA-N 303.366 1.414 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCC(C)C)c(C)c1 45969695 RUBVDPRLYGRQCY-UHFFFAOYSA-N 312.435 1.662 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 220177217 QYEMTBKBISUKGV-LLVKDONJSA-N 308.382 1.931 0 40 DDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCOCC(F)(F)C(F)F 195576573 XYEVREFAWPTWBA-IUCAKERBSA-N 309.259 1.855 0 40 DDAB CCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226098027 GJBYNXPGJYJDSR-UHFFFAOYSA-N 324.446 1.930 0 40 DDAB O=C([C@H]1CCCO1)N1CCc2ncnc(-c3ccoc3)c2CC1 96255182 WGHJRVFUIXUEJB-OAHLLOKOSA-N 313.357 1.843 0 40 DDAB c1cncc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 96061066 JWFZTJLPUSYZKX-OAHLLOKOSA-N 322.372 1.424 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCCN(Cc1cnn(C)c1)C2 96259710 YTEJQQGJABBNGQ-UHFFFAOYSA-N 317.441 1.258 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc3c(c2)CCO3)C1 97235605 FNWOWDSVQIUIIM-CQSZACIVSA-N 310.419 1.135 0 40 DDAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cnn(C)c1 96223526 GRSGYCUSRMNUMT-UHFFFAOYSA-N 311.345 1.972 0 40 DDAB Cc1nnn2c1COC[C@H](CNC(=O)Cc1cccs1)C2 96199350 GZTVXVPUCLDKMH-LLVKDONJSA-N 306.391 1.153 0 40 DDAB Cc1cccc2nc(CNS(=O)(=O)c3cnn(C)c3)n(C)c12 96475169 MNYWNLBPHNFTHE-UHFFFAOYSA-N 319.390 1.094 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2N1C(C)C 96054227 PKWDQKBXRYOMLF-CWRNSKLLSA-N 320.437 1.321 0 40 DDAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCN(C)CC2)C1 96193097 QTSVWIZOBVBUQA-KRWDZBQOSA-N 317.389 1.352 0 40 DDAB c1cncc(OC[C@]23COC[C@H]2CN(C2CCOCC2)C3)c1 96108847 CMTKQGDVKMPADY-PBHICJAKSA-N 304.390 1.588 0 40 DDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247294545 BXBBCYWEUDGZIV-LBPRGKRZSA-N 324.402 1.044 0 40 DDAB O=C(/C=C/c1cccs1)N1CC[C@@](O)(CN2CCOCC2)C1 257277853 NZTRGKNKTOWALB-QDLOVBKTSA-N 322.430 1.057 0 40 DDAB CCn1cc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)c(C)n1 257333371 YBHHLPOCHPCKJR-GFCCVEGCSA-N 315.377 1.727 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257270244 MTHQBYJNZOJRBM-AWEZNQCLSA-N 315.377 1.280 0 40 DDAB CC(=O)N1CCCN(Cc2ccnc([C@]3(C)CCCO3)n2)CC1 257201158 AGNVBUGGLYYSOB-KRWDZBQOSA-N 318.421 1.556 0 40 DDAB Cc1ccc(Nc2nccc([C@@H]3CCN(C(=O)CO)C3)n2)nc1 257201988 AJZLLCSGHARIJJ-GFCCVEGCSA-N 313.361 1.232 0 40 DDAB CC(C)CN1CCCC[C@@H]1CNC(=O)N1CC[C@H]([C@H](C)O)C1 253369846 IUJPFQJGWKUVJG-HRCADAONSA-N 311.470 1.909 0 40 DDAB O=C(c1ccccn1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257316152 VEIZQJHEWOHRLQ-QZTJIDSGSA-N 323.396 1.325 0 40 DDAB C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCCCCF)C1=O 252495430 OQEMLLLOINJAGW-MRXNPFEDSA-N 321.352 1.692 0 40 DDAB Cc1cc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)nc(C)n1 257262882 LNKMLYKNYCGCAP-MRXNPFEDSA-N 312.373 1.631 0 40 DDAB CN1CCN(C(=O)COc2cccnc2)C[C@@H]1c1ccccc1 257287124 POQGVDPMXIXDBV-QGZVFWFLSA-N 311.385 1.976 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)C)cc1 352947667 QICAZZHGEGIGNR-NSHDSACASA-N 314.407 1.277 0 40 DDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3ncc[nH]3)[C@H]2O)cc1 585286396 XRJGZJRYMRBYGN-BPLDGKMQSA-N 315.373 1.666 0 40 DDAB O=C(CNC1(CO)CCOCC1)N(Cc1ccccc1)C1CC1 69248555 IXGIZZPIAJUXGY-UHFFFAOYSA-N 318.417 1.309 0 40 DDAB Cn1ccc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)cc1=O 46126759 FGRYOQRHBKQJDM-UHFFFAOYSA-N 312.325 1.953 0 40 DDAB O=C(CSc1ccccc1)NC[C@H]1CN2CCC[C@@H]2CO1 58268222 NAWMPGOBUOJBNJ-KGLIPLIRSA-N 306.431 1.758 0 40 DDAB CC(=O)N1CCC(Oc2ncc(Br)cn2)CC1 197468931 BABLZQUGIUUEJK-UHFFFAOYSA-N 300.156 1.629 0 40 DDAB C[C@@H](NC(=O)CN1CCCN(C(N)=O)CC1)[C@H]1C[C@H]2CC[C@H]1C2 108078199 ZQXOFQXMVQZLOE-CBBWQLFWSA-N 322.453 1.014 0 40 DDAB COC(=O)[C@@H](c1ccccc1)n1nc(-c2ccco2)oc1=O 95990791 ONROFXQPRAIWCN-GFCCVEGCSA-N 300.270 1.859 0 40 DDAB COc1c(O)c(C)cc2oc(N[C@H](C)C(=O)O)c(O)c(=O)c12 100060484 WSUXEZDMDYGUMC-ZCFIWIBFSA-N 309.274 1.406 0 40 DDAB biogenic,in-vitro Cn1nc2c(cc1=O)CN(Cc1ccc(Br)o1)CC2 191416364 LGDBJWSKFHCRGR-UHFFFAOYSA-N 324.178 1.694 0 40 DDAB Cn1cc(S(=O)(=O)NCCNC2CCCCCC2)cn1 96483217 KVVPXCXOBNIZEP-UHFFFAOYSA-N 300.428 1.011 0 40 DDAB COc1ccc(OC)c([C@H](C)NC[C@H](O)CN2CCOCC2)c1 12569646 LAWLCHLREIVSPN-KBPBESRZSA-N 324.421 1.048 0 40 DDAB COc1ccccc1N1CC[C@@H](NC(=O)C(F)(F)Cl)C1=O 153096071 OSIRSFQVXWUALV-MRVPVSSYSA-N 318.707 1.748 0 40 DDAB COc1ccc([C@@H](NC(=O)[C@@H]2CC23CCOCC3)C(=O)O)cc1 553756725 AOBRHJNXPOWQDP-UONOGXRCSA-N 319.357 1.754 0 40 DDAB Cc1cccc(-c2nnc(SC[C@H]3CNC(=O)O3)n2C)c1 6949240 KMJWCROQFSMMQE-LLVKDONJSA-N 304.375 1.991 0 40 DDAB CSCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7966677 VXGCTIJWRSXZCW-UHFFFAOYSA-N 302.421 1.629 0 40 DDAB C[C@H]1CCCN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C1 8279993 ZMEKQNRULVLNSA-NSHDSACASA-N 303.341 1.738 0 40 DDAB Cc1cnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)nc1 1888930629 SCOVQZCFTSUMBH-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB O=C([C@@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCCC1 1889130544 CTFLWBPGRWXTOM-HNNXBMFYSA-N 312.373 1.457 0 40 DDAB O=c1cc(CN2CCC3(CC2)OCCO3)c2ccc(O)cc2o1 26933762 YMCHQGBRUUEIDC-UHFFFAOYSA-N 317.341 1.838 0 40 DDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)cs1 1048696880 YRPWAPUPGSDRGY-TXEJJXNPSA-N 317.418 1.379 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1ncc(OC)cn1)C2 1147034675 ZNWUWYIJQUCQGX-XJKSGUPXSA-N 321.377 1.143 0 40 DDAB CC(C)N1Cc2cncn2[C@@]2(CCCN(C(=O)C3(F)CC3)C2)C1 1565544764 QNFKXUQJHRURAW-MRXNPFEDSA-N 320.412 1.927 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377520 PUBFKRMZYRISMK-FOGDFJRCSA-N 320.242 1.636 0 40 DDAB COc1ccnc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)n1 2086861055 BUSAJJYIPGYWGR-RYUDHWBXSA-N 315.352 1.592 0 40 DDAB CCc1cc(N2CC[C@@H](Oc3ncc(OC)cn3)C2)ncn1 2086884542 IBJQINDXHHCSLA-GFCCVEGCSA-N 301.350 1.495 0 40 DDAB Cc1cc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)nn1C 575617583 XNEXOYCCEWXSMI-UHFFFAOYSA-N 310.361 1.454 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@@H]3CCC[C@@H]3O)C2)n1 585603745 IEEVSQQWYLKAHE-KGLIPLIRSA-N 305.422 1.386 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 40527888 SFUBQSBIVYDTEI-GFCCVEGCSA-N 300.424 1.273 0 40 DDAB Cc1c(C(=O)NCCOc2ccc3c(c2)OCO3)cnn1C 40541354 PGVHZONFJPVFJP-UHFFFAOYSA-N 303.318 1.266 0 40 DDAB CC(=O)NCCCNS(=O)(=O)c1cccc2cc(C)cnc12 32771365 GRWRJLACVDOTKD-UHFFFAOYSA-N 321.402 1.348 0 40 DDAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 32900127 RQJBAKILSRNLHK-CQSZACIVSA-N 309.387 1.501 0 40 DDAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCC1 21898489 SXAOGGAHCBXIOZ-GFCCVEGCSA-N 316.357 1.433 0 40 DDAB O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=S)Nc1ccccc1 22405222 YZJAJLZKYPOXCK-LBPRGKRZSA-N 302.359 1.618 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CCO1 46921946 ALOSDFMIAZMGPD-LLVKDONJSA-N 312.391 1.020 0 40 DDAB CCn1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)O)c2n1 12397929 BQOLABBIXZTGAH-UHFFFAOYSA-N 303.240 1.711 0 40 DDAB CCOc1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 78788401 KNIHIRWNRSKGEV-SJORKVTESA-N 318.417 1.757 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NOCc1ccccc1 1576653 BEXBKUKHTOBXHW-LBPRGKRZSA-N 310.350 1.120 0 40 DDAB in-vitro Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 815504 GZTUNHHAWNJURI-YPMHNXCESA-N 318.398 1.496 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cs1 6680957 WQPRHSTTZHNLKP-JTQLQIEISA-N 316.448 1.918 0 40 DDAB COc1ccc(CCN[C@H](C(=O)NC(N)=O)C(C)C)cc1OC 8403880 MVEZANYVVZTSFQ-AWEZNQCLSA-N 323.393 1.055 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cn1 25309863 JOAXJJAANNASAL-LLVKDONJSA-N 302.334 1.504 0 40 DDAB CC(C)c1noc2ncc(C(=O)N3CCC(C(N)=O)CC3)cc12 22243027 DFFGZDPRSRIXMJ-UHFFFAOYSA-N 316.361 1.684 0 40 DDAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCOCC1 26226697 CRBLLUFXHMHXJZ-SNVBAGLBSA-N 322.434 1.830 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)O[C@H]3CCOC3=O)ccc12 3271351 FRKNOUKFNOITPC-LBPRGKRZSA-N 318.281 1.339 0 40 DDAB C[C@@H]1C[C@H]1CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C 95350268 BFLQQFSRRQCSKV-SCZZXKLOSA-N 300.362 1.525 0 40 DDAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCCNC(N)=O 44897082 BEGUXMKORQDUOZ-AWEZNQCLSA-N 306.410 1.917 0 40 DDAB Cc1csc(=O)n1CCC(=O)NC[C@H](c1ccco1)N(C)C 44870658 LNKYZENPDOTRGJ-GFCCVEGCSA-N 323.418 1.620 0 40 DDAB CCOc1ccc2c(c1)CN([C@H](C)C(=O)NC(=O)NC)CC2 58293340 PLJQZJJGUVZNJT-LLVKDONJSA-N 305.378 1.288 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2CCc2ccccc2)O1 107207762 BYQAIABASXGVFQ-BRWVUGGUSA-N 302.418 1.939 0 40 DDAB Cn1nc(C(=O)Nc2nc3cc(F)c(F)cc3s2)ccc1=O 58267702 BOWULSLWXBMCFG-UHFFFAOYSA-N 322.296 1.921 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccc2ncsc2c1 44940342 NNEITOZBOWKRBZ-NSHDSACASA-N 305.403 1.747 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N(C[C@@H]1CCOC1)C1CC1 44940977 XFOHFUCNQHMIOX-JTQLQIEISA-N 317.311 1.929 0 40 DDAB O=C(NCc1ccccn1)C1CCC(Cn2cnnn2)CC1 44916917 RUICSYVWILOOML-UHFFFAOYSA-N 300.366 1.191 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccoc2)cc1 44968306 CYRUAZOQRWSNKL-UHFFFAOYSA-N 323.374 1.187 0 40 DDAB CCN1C[C@H](CN(C)C(=O)Cn2cncn2)Oc2ccccc21 58585757 YCAZOAHBNRCMCZ-ZDUSSCGKSA-N 315.377 1.024 0 40 DDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1ccccc1 3302662 LIJHILKMELWLIZ-UHFFFAOYSA-N 312.156 1.867 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccc(N3CCCCCC3)nc2)N1 48343526 QUZSTBSJFQWLTJ-CQSZACIVSA-N 316.405 1.357 0 40 DDAB CC(C)(C)OC(=O)c1ccccc1NC(=O)[C@@H]1COCCO1 95985587 FJWLDTWAOKDNIL-ZDUSSCGKSA-N 307.346 1.996 0 40 DDAB CN(C[C@@H]1CCCO1)c1nccnc1N(C)C[C@H]1CCCO1 95944305 KZDRMPYFDVWTFD-OKILXGFUSA-N 306.410 1.707 0 40 DDAB O=C(NC1(CCO)CCC1)c1cn(Cc2cccc(F)c2)nn1 95992190 KCALUDNPMPLJIC-UHFFFAOYSA-N 318.352 1.500 0 40 DDAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCCC1 3463588 ZYDMKRMAKVGPJV-UHFFFAOYSA-N 307.394 1.644 0 40 DDAB CN1C(=O)NC(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9111325 QGVXITIWCSMFOK-SFHVURJKSA-N 323.352 1.527 0 40 DDAB Cn1nccc1CN1CCN(c2ncnc3ccsc23)CC1 93335880 GIUFQJTZMPQRBJ-UHFFFAOYSA-N 314.418 1.747 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccccc3Cl)[C@@H]2C1 13686511 FPQVHGXHIGZSTE-PSASIEDQSA-N 302.808 1.200 0 40 DDAB CCc1nnc2sc(CN3C(=O)c4ccccc4C3=O)nn12 19689559 JYUUOMUGJXTBJQ-UHFFFAOYSA-N 313.342 1.544 0 40 DDAB CCN(CC(=O)Nc1ccc(Cl)cn1)C[C@@H](C)C(=O)OC 65494755 SHEHRLFSYFYDGT-SNVBAGLBSA-N 313.785 1.805 0 40 DDAB O=C1NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)N1 14011255 SHIUIRCHXDVEPW-XFSBKJJWSA-N 311.091 1.358 0 40 DDAB CC(C)NC(=O)CN1CCC(C(=O)NC2CCCCC2)CC1 65589811 CKPXWDNYMQSDGW-UHFFFAOYSA-N 309.454 1.672 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCC(N2CCCC2)CC1 65551637 UCURSQSHZUJAPN-QGZVFWFLSA-N 304.434 1.987 0 40 DDAB CCN(Cc1cc(C)c(C(=O)OC)o1)[C@@H]1CCS(=O)(=O)C1 65611822 RPWOIEUZAYUZFL-LLVKDONJSA-N 315.391 1.384 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]2C1 9304235 AWCLBMAXDNHSNA-ZJUUUORDSA-N 302.808 1.200 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)C2CC2)c1C 9313901 YHMVLUKMVZBFKY-SECBINFHSA-N 322.361 1.490 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCCCc1cccc(F)c1 68180048 LLUQLRBBQFZBRN-UHFFFAOYSA-N 306.337 1.414 0 40 DDAB Cc1cc2ccccc2n1CC(=O)N1CCN(C[C@H](C)O)CC1 71871067 UTRGYFQOSDKIMU-HNNXBMFYSA-N 315.417 1.475 0 40 DDAB CCc1cc2c(NC[C@H](O)CN3CCCC3=O)ncnc2s1 71841019 OQGZEAPVHVWGOK-JTQLQIEISA-N 320.418 1.649 0 40 DDAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)NCCn1cccn1 70004982 XRMAUVPMEXUMPO-OLZOCXBDSA-N 304.398 1.667 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)NC3CCCC3)CCO2)n1 69349786 AIVCSANDPJSZAO-INIZCTEOSA-N 320.437 1.260 0 40 DDAB COC(=O)[C@@H](NCc1nnnn1-c1ccccc1)C(C)(C)C 95966284 ONNDCGUQNZCXQO-CYBMUJFWSA-N 303.366 1.340 0 40 DDAB CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCF)C1 95986157 QKMUGIPAVQQNEZ-GFCCVEGCSA-N 318.418 1.728 0 40 DDAB Cn1cc(NC(=O)c2ccc(=O)[nH]c2)cc(Br)c1=O 88214232 HTXVLAXRKJLIPU-UHFFFAOYSA-N 324.134 1.088 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cn1 69510166 RTVONSVNIAMAAX-HUUCEWRRSA-N 316.405 1.140 0 40 DDAB CC(C)C(=O)NCCNC(=O)c1ccc(-n2cccn2)cc1 69694333 ZCCLRYDXBVGDHM-UHFFFAOYSA-N 300.362 1.374 0 40 DDAB Cc1noc(Cl)c1CC(=O)N1CCn2c(nnc2C(C)C)C1 69774703 UTTUDLAEKYJBLT-UHFFFAOYSA-N 323.784 1.936 0 40 DDAB CO[C@@H](C)CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69737545 WERBMLPRBMZHJA-GOEBONIOSA-N 306.406 1.289 0 40 DDAB OCCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 96794829 ONLXGHHTKUGLMB-UHFFFAOYSA-N 322.796 1.500 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)c2n1 69849418 RODPLVRCMBBRMI-GJZGRUSLSA-N 313.405 1.737 0 40 DDAB CCN(CC)Cc1ccccc1CNC(=O)c1nccnc1N 8749674 VNYIKCJCIFRWDL-UHFFFAOYSA-N 313.405 1.831 0 40 DDAB COCc1ccc(S(=O)(=O)Cc2nc(C3CC3)n[nH]2)cc1 97097909 UNOKHPDBWSBKRY-UHFFFAOYSA-N 307.375 1.802 0 40 DDAB COc1ccc(Cl)cc1CCN1C(=O)[C@@H]2COCCN2C1=O 97045877 BGJLOLMOHXDPBM-LBPRGKRZSA-N 324.764 1.554 0 40 DDAB COc1ccccc1[C@H](NC(=O)NC1CC1)c1noc(C)n1 72285601 CVCUJJFLUCQFKM-ZDUSSCGKSA-N 302.334 1.938 0 40 DDAB Cn1c(CCNc2ccc3nnnn3n2)nc2ccc(F)cc21 72293270 NHXFSZOCUZPRFH-UHFFFAOYSA-N 312.312 1.200 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1C 89502433 UIXVNIVNISYBSP-LLVKDONJSA-N 321.377 1.111 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccco2)cc1F 75156268 LOSMRVLIGQJOGJ-MRXNPFEDSA-N 320.320 1.690 0 40 DDAB Cc1cn2nnc(C(=O)N[C@@H](C)CCc3ccco3)c2c(O)n1 75163999 GWLAZPBXHVLCDI-VIFPVBQESA-N 315.333 1.482 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(c2ccccn2)C1 89937866 SPTCMLHJJXSZLU-LSDHHAIUSA-N 302.422 1.461 0 40 DDAB COc1cccc(SCC(=O)N2CCC3(C2)OCCO3)c1 75611230 CSNWRAZMVRRHSX-UHFFFAOYSA-N 309.387 1.763 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)ccc1F 76062139 DNBZQDSVPVQYFM-GFCCVEGCSA-N 312.410 1.897 0 40 DDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)s1 66561814 BWADFSKKYSPZMI-SECBINFHSA-N 302.783 1.265 0 40 DDAB C[C@@]1(c2ccc(NC(=O)Cc3ccoc3)cc2)NC(=O)NC1=O 548122177 RDFLBUSQKPTKSI-INIZCTEOSA-N 313.313 1.515 0 40 DDAB Cn1c(CC(F)(F)F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 514860708 RYXMFTLMKXSSJD-UWVGGRQHSA-N 304.316 1.783 0 40 DDAB CCCC(C)(C)C(=O)NCCNC(=O)c1nc[nH]c2nccc1-2 1522764796 VPPBEVIFUPWAAD-UHFFFAOYSA-N 317.393 1.582 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCCNC(=O)[C@H]1C 530521162 GPGDRVOEBFUPNU-NEPJUHHUSA-N 318.373 1.298 0 40 DDAB Cc1cc(N2CCN(C=O)CC2)ncc1C(=O)c1ccccc1 72223678 GDMQRLFMEOJKKF-UHFFFAOYSA-N 309.369 1.899 0 40 DDAB Cc1cc(C(=O)NCc2cccc(CO)n2)c2c(C)noc2n1 559249748 HHNIKEGLMDKBKL-UHFFFAOYSA-N 312.329 1.657 0 40 DDAB O=C(NCCC1=CCCCC1)C1CN(S(=O)(=O)C2CC2)C1 70818272 PIXNHELKZDOOBG-UHFFFAOYSA-N 312.435 1.417 0 40 DDAB COc1cc(OC)cc(-n2c(=O)[nH]c3ccsc3c2=O)c1 71289342 XLOPDPWHEFNMAF-UHFFFAOYSA-N 304.327 1.758 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC[C@H](O)c1cccn1C 217940916 YKVIMOSZQAVZEN-LBPRGKRZSA-N 313.379 1.032 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(N)COC 218511711 ILLLMTZITQXMCB-AGIUHOORSA-N 303.811 1.584 0 40 DDAB CCCCN(C)S(=O)(=O)Nc1ccccc1-c1nncn1C 74051169 QALOBNFCMZVGNZ-UHFFFAOYSA-N 323.422 1.871 0 40 DDAB O=C(CO)NCc1cc(Br)ccc1Br 185685694 ICTDAPXMTSILFH-UHFFFAOYSA-N 322.984 1.820 0 40 DDAB CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 222170870 JZKAEUGBDSBGSH-DGAVXFQQSA-N 303.314 1.678 0 40 DDAB C[C@@H](c1cccnc1)N(C)C(=O)NC[C@@H](C)N1CCOC[C@@H]1C 195530196 KBCRAKQMYGMZRS-ILXRZTDVSA-N 320.437 1.893 0 40 DDAB Cc1cnc(CCNC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)nc1 571861715 PBRCVFUNLCXFOO-NZBPQXDJSA-N 315.373 1.357 0 40 DDAB CN(c1cccnn1)C1CCN(C(=O)CCn2ccnc2)CC1 329106933 DPEWDKWLVGVEBX-UHFFFAOYSA-N 314.393 1.191 0 40 DDAB CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222450576 IKLHAPIXQITRCX-VBKPJYHMSA-N 303.358 1.539 0 40 DDAB Cc1oncc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 96038574 OYKINQLXDCGYQC-JKSUJKDBSA-N 312.373 1.867 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)NCCCCc2nccs2)c1C 97230319 LGHUVKMYTXVNNI-UHFFFAOYSA-N 320.418 1.606 0 40 DDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H](C)c1cccs1 95416747 AROOUAXNOCSRJE-UWVGGRQHSA-N 304.437 1.932 0 40 DDAB CS(=O)(=O)N1CCCCC12CCN(c1nncs1)CC2 96217562 QUQUJUCBKUPHGT-UHFFFAOYSA-N 316.452 1.323 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccnc2)C1 96226917 IMHWYQHAJNIREM-XJKSGUPXSA-N 302.378 1.850 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@]3(COCCN(C)C3)C2)cn1 96076200 QGNSQEWLVXODBH-QGZVFWFLSA-N 303.406 1.574 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21)N1CCCC1 96066329 JVYOJHXIUGAMHQ-QLFBSQMISA-N 316.405 1.330 0 40 DDAB O=C(O)CN1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 96228325 QADGZYRBIJEDLH-UHFFFAOYSA-N 320.364 1.867 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2cc(F)ccc2C)n1 96413580 ULLGZRKEOPXFGL-UHFFFAOYSA-N 320.324 1.513 0 40 DDAB CCS(=O)(=O)N1Cc2ncn(CC3CC3)c2[C@H](COC)C1 96060298 ANGFQONCWHCUFR-LBPRGKRZSA-N 313.423 1.188 0 40 DDAB Fc1cnc(N2CCC[C@@]3(CCN(c4ncccn4)C3)C2)nc1 96158316 NSNMTFATSXPSBM-MRXNPFEDSA-N 314.368 1.903 0 40 DDAB Cc1cccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 96414074 SQHGDIIXSJPDFR-VIFPVBQESA-N 301.268 1.283 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc3[nH]ccc23)co1 95439434 XZXRVTPMIYIYCJ-UHFFFAOYSA-N 319.342 1.921 0 40 DDAB C[C@H](NC(=O)NCC1(c2cccc(F)c2)CC1)C(=O)N(C)C 96417650 SVAPNKXYDKMCBX-NSHDSACASA-N 307.369 1.633 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 247841179 FNYIKVRSJSESHN-HUUCEWRRSA-N 309.373 1.076 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257328520 XGAGVBMWHPWSKO-HNNXBMFYSA-N 312.373 1.661 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)C1CCOCC1 257321315 WBCOJCBYDCNZFX-BZUAXINKSA-N 310.438 1.297 0 40 DDAB CO[C@H](C)c1nsc(N2CCC(c3cc(N)[nH]n3)CC2)n1 252508924 XXIVRCWMMUWLSB-MRVPVSSYSA-N 308.411 1.935 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2c2ccc(F)cn2)n1 257204703 AVYCLPHUIURVLM-HNNXBMFYSA-N 315.352 1.988 0 40 DDAB COc1ccccc1CC(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257289829 QAIXDEIVQYHBPM-IIDMSEBBSA-N 318.417 1.342 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257287588 PQPFKCJBFHWIQV-HNNXBMFYSA-N 312.373 1.713 0 40 DDAB CC(=O)N1CCC(Cc2ccc(N3CCOC3=O)nc2)CC1 257218897 DEUITRFOZZTAKP-UHFFFAOYSA-N 303.362 1.839 0 40 DDAB O=C(O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 261923625 JJRZANADEHCVAI-ZDUSSCGKSA-N 320.345 1.399 0 40 DDAB COc1ccccc1[C@H](CNS(=O)(=O)c1cccnc1)OC 96384848 FYDHQHKGFBMSFJ-HNNXBMFYSA-N 322.386 1.756 0 40 DDAB CN1c2ccc(NC(=O)c3ccncc3)cc2N(C)S1(=O)=O 390829564 ZTQSQLAXMOFZCO-UHFFFAOYSA-N 318.358 1.465 0 40 DDAB Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1 568201834 GIKJQJALLHEQBM-SNVBAGLBSA-N 319.766 1.123 0 40 DDAB COc1ccc(OCC(=O)N2CC[C@]3(CCCO3)C(=O)C2)cc1 585288789 JEXMBWSFWQROKI-QGZVFWFLSA-N 319.357 1.425 0 40 DDAB O=C(c1cnc[nH]1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585277288 HMHDILKAASBTEI-IUODEOHRSA-N 303.337 1.615 0 40 DDAB CCCC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C 585098586 VASJGOHHAIQITP-CYBMUJFWSA-N 318.421 1.751 0 40 DDAB CC[C@@H](C)N(CCO)S(=O)(=O)c1ccc(OC)cc1C 585141962 JVUCIDBAQJDDLG-GFCCVEGCSA-N 301.408 1.785 0 40 DDAB O=C(Cc1ccccc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775986103 VOGJAMSZCWULJM-UHFFFAOYSA-N 323.396 1.822 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 56134933 FAXNHHINLJCJDM-NEPJUHHUSA-N 321.421 1.924 0 40 DDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C 53834829 SUHBHBTVUJQHCD-XHDPSFHLSA-N 306.362 1.198 0 40 DDAB O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1cccc(C(F)(F)F)c1 85468837 MJQKKRUKHLSTSU-ZMLRMANQSA-N 303.280 1.567 0 40 DDAB C[C@H](O)C[C@@H]1COCCN1C(=O)NCCCc1cccc(F)c1 97095018 ACBLDUOKKIIFAW-XJKSGUPXSA-N 324.396 1.940 0 40 DDAB CCN1CCN(CCC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 98015782 IKZRBFGWTHKVJD-OIISXLGYSA-N 323.481 1.334 0 40 DDAB COc1ncc(NS(=O)(=O)c2ccc3c(c2)CCO3)cn1 585434128 SVTWOMKTXJDBMQ-UHFFFAOYSA-N 307.331 1.221 0 40 DDAB CN(C[C@H]1CCS(=O)(=O)C1)c1cncc(Br)c1 96429559 NQDQYADFPVTKFG-SECBINFHSA-N 319.224 1.715 0 40 DDAB Cn1ccc(=O)n(Cc2ccc(F)cc2Br)c1=O 13016748 ODDDLTJYNAXGIR-UHFFFAOYSA-N 313.126 1.497 0 40 DDAB CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(C3CC3)c2C)C1=O 555351 XPIIGPFBYYRSDW-MDWZMJQESA-N 301.346 1.922 0 40 DDAB CCN1C(=O)[C@](O)([C@@H]2COC(C)(C)CC2=O)c2cc(C)ccc21 5018918 DTXIHQDLCHPHQA-FZKQIMNGSA-N 317.385 1.933 0 40 DDAB CCOc1ccc(N2C(=O)C[C@H](NC[C@@H]3CCCO3)C2=O)cc1 19533485 BMWJYAWLINOLDK-GJZGRUSLSA-N 318.373 1.486 0 40 DDAB O=C([C@@H]1CCCO1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238935175 VLATWJRZYFQLHR-YUMQZZPRSA-N 305.256 1.583 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](N)C2)ccc1OC(C)C 36296895 DLGAQNFPBSWUCJ-CYBMUJFWSA-N 312.435 1.894 0 40 DDAB NC(=O)c1ccccc1NC(=O)CN1CCc2sccc2C1 14779133 UJWLYSZKAMUERX-UHFFFAOYSA-N 315.398 1.844 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)cn1 1848353356 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COc1ccc(OC)c(NC(=O)[C@H](C)N2CCCN(C)CC2)c1 40161494 SHHDOOCSLXOKLW-ZDUSSCGKSA-N 321.421 1.668 0 40 DDAB Cc1nc(C)c(CC(=O)NCCc2ccc(F)cc2)c(=O)[nH]1 31207970 UQILGVGNKXOHLQ-UHFFFAOYSA-N 303.337 1.427 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)C[C@H](C)O1 40481406 RUIUUEJATKNMPJ-RYUDHWBXSA-N 316.361 1.700 0 40 DDAB C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc2c(c1)OCCO2 40496689 XXGCTCMPZWWKIF-NSHDSACASA-N 314.341 1.648 0 40 DDAB CCN(CCNC(=O)c1ccc(=O)[nH]n1)c1cccc(C)c1 40462702 ZXADRTLANQRUIU-UHFFFAOYSA-N 300.362 1.335 0 40 DDAB Cn1ncc(C(=O)NCCCN2CCCC2)c1-n1cccc1 40512821 MFORPSPWBPMQHL-UHFFFAOYSA-N 301.394 1.427 0 40 DDAB COc1ccc(C)cc1[C@@H](O)CN1CCN(C(=O)C(C)C)CC1 51124623 OXUOXJRIKATVMH-INIZCTEOSA-N 320.433 1.837 0 40 DDAB CN1CC(=O)N(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1=O 51260344 OMXWJQDFKVNRRV-SNVBAGLBSA-N 302.252 1.633 0 40 DDAB CC(C)CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1 32095283 WSZCRECEWGHGNQ-UHFFFAOYSA-N 302.334 1.637 0 40 DDAB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c(OC)c1 101708597 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COc1cccc(CC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)c1 47343157 MMNNXEZNYNINJE-UHFFFAOYSA-N 309.329 1.478 0 40 DDAB CCn1nnc2cc(C(=O)N[C@@H](C(N)=O)c3ccccc3)ccc21 8987348 VCSCFHLXTUCBKG-OAHLLOKOSA-N 323.356 1.408 0 40 DDAB CCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 2749621 JIBXFNHOEJZNFZ-BKUVIOGVSA-N 320.370 1.118 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2cccnc2OC)c1 47521102 OMUFGDZZXIOWIM-UHFFFAOYSA-N 324.358 1.908 0 40 DDAB COc1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)nn1 23580669 JHSKFJNAHJARDF-UHFFFAOYSA-N 309.329 1.501 0 40 DDAB COC(=O)COc1cccc(NC(=O)[C@H](NC(C)=O)C(C)C)c1 24950402 RHVXMRUHPFJHMO-OAHLLOKOSA-N 322.361 1.338 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101667527 MWCLMMQVKACSCQ-RWMBFGLXSA-N 302.378 1.304 0 40 DDAB COc1cc2c(cc1OC)CCN(C(=O)[C@H]1COCCO1)CC2 56462781 PIOLSZGSCIDIJP-MRXNPFEDSA-N 321.373 1.046 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccccc3)CC2)CC1=O 108533274 ITCXWTJWQAPCIY-UHFFFAOYSA-N 316.401 1.788 0 40 DDAB Cc1cc(CN2CCN(c3nn4cc(C)nc4s3)CC2)on1 26698023 IYXPIJYTEWPMOA-UHFFFAOYSA-N 318.406 1.718 0 40 DDAB CC[C@@H]1CCCN(C(=O)Cn2nnc3ccccc3c2=O)C1 27152573 RKHKZLHDFRIMHA-GFCCVEGCSA-N 300.362 1.440 0 40 DDAB C[C@@H](C(=O)N[C@H](C(N)=O)c1ccccc1)n1cnc2ccccc21 48126864 VUPQDHFZQBOWCX-LRDDRELGSA-N 322.368 1.940 0 40 DDAB CCCNC(=O)NC(=O)CN(C[C@H](O)CC)c1ccccc1 58331854 KPIHLDCUJKYKAO-CQSZACIVSA-N 307.394 1.500 0 40 DDAB CCc1noc(CN(C)S(=O)(=O)CCc2ccccc2)n1 58341103 TZCGOHRLIKFPBC-UHFFFAOYSA-N 309.391 1.636 0 40 DDAB Cc1nnsc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 28291486 ZYVYDLNPSZYGPN-SSDOTTSWSA-N 304.331 1.818 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NC4CCC4)O[C@@H]3C2)no1 107717691 NPMWHIZADADCDK-APHBMKBZSA-N 319.405 1.631 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CCc1nc(-c2ccncc2)no1 45449411 KNRNSZUJFURTEZ-NWDGAFQWSA-N 316.361 1.700 0 40 DDAB O=C1C[C@H](C(=O)NCCCn2ccnc2)c2ccc(F)cc2N1 48301862 LSRXFPZVQGFWRU-ZDUSSCGKSA-N 316.336 1.655 0 40 DDAB CSc1ccc(-c2nnnn2[C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)cc1 101087952 RUFAIAXJOQYVIR-VHRBIJSZSA-N 318.358 1.317 0 40 DDAB COC(=O)[C@@H](NC(=O)NCc1ccc(OC)cc1OC)C(C)C 2415844 NSQYCMFELIDLEM-AWEZNQCLSA-N 324.377 1.701 0 40 DDAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(N)=O 3483440 NPBYXKOPJWHOCN-SECBINFHSA-N 302.286 1.563 0 40 DDAB CC(C)c1noc(CCCC(=O)N2CCC[C@H](C(N)=O)C2)n1 46739172 DSPIZGMTEWAMRT-NSHDSACASA-N 308.382 1.240 0 40 DDAB CN(C)CC(C)(C)CNC[C@H](O)COCc1ccccc1F 3418422 ZHRBKEKUFIDKDP-HNNXBMFYSA-N 312.429 1.881 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)C(=O)NC(N)=O 3448660 NHWJKTHCNRAPPK-QMMMGPOBSA-N 314.725 1.154 0 40 DDAB Cn1c(=O)n(C[C@@H](O)COCc2ccccc2)c2ccccc21 12906239 IDCCMJFMMRBBNX-OAHLLOKOSA-N 312.369 1.918 0 40 DDAB Cc1cccc(-n2nnnc2SC[C@H](O)Cn2cccn2)c1 171355592 DGUIIGDASHCSNA-CYBMUJFWSA-N 316.390 1.320 0 40 DDAB CNC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 9155798 ANUWSIOSJSNMFI-UHFFFAOYSA-N 315.329 1.398 0 40 DDAB CCOC(=O)[C@@H]1CCCN(Cn2ncc3ccccc3c2=O)C1 9114130 MHIHVXAJNPHWAL-CQSZACIVSA-N 315.373 1.629 0 40 DDAB CC(C)NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 6114213 OWJGZSNKMMBNAY-UHFFFAOYSA-N 318.373 1.490 0 40 DDAB C[C@@H](CNC(=O)Nc1ccc(-n2cncn2)nc1)N1CCCC1 65452447 KUXCCKAHJQWIFA-LBPRGKRZSA-N 315.381 1.268 0 40 DDAB CNC(=S)N1CCC(n2nnc(-c3cccs3)n2)CC1 4477322 WWRQRXYBYXKFLI-UHFFFAOYSA-N 308.436 1.543 0 40 DDAB CC1(C)CCCN1C(=O)CNC1=NS(=O)(=O)c2ccccc21 65588438 INNCNKROQYKUQE-UHFFFAOYSA-N 321.402 1.126 0 40 DDAB CN(C)CCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 4699259 QWTFYXMLGGDLOU-UHFFFAOYSA-N 313.442 1.701 0 40 DDAB CC(C)C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026276 JFEWPMPJRILGCY-JTQLQIEISA-N 313.375 1.829 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)no1 7422981 SMXYWVZCMCKLRJ-UHFFFAOYSA-N 307.331 1.669 0 40 DDAB C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1cccs1)n1cccn1 81295484 MSSVCDNQHJFKLS-PWSUYJOCSA-N 304.375 1.205 0 40 DDAB COc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C(N)=O)C1 8171615 JFODEFDMHSSXRX-RYUDHWBXSA-N 305.378 1.220 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cccn2)C1 69436768 BMQKDQWJUUCSJY-YPMHNXCESA-N 303.366 1.606 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)[C@H]3CCOC3)CC2)nn1 69774261 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Cn1ccc(NC(=O)Nc2cc(-c3nccn3C)nn2C)n1 97100073 WZTWSMLUXTVSGE-UHFFFAOYSA-N 300.326 1.198 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c(F)cccc2F)C1 95999499 XDXGYUPRSIUOTL-SNVBAGLBSA-N 304.362 1.478 0 40 DDAB COc1ccc(CC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1 74998236 KDEMOSWQZYYTKW-UHFFFAOYSA-N 311.341 1.724 0 40 DDAB CNC(=O)NCC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 89567433 NMWOEGAOSZFDSK-ZDUSSCGKSA-N 318.421 1.786 0 40 DDAB CN(Cc1ncnn1C)c1nccc(OCc2ccccc2)n1 89600424 OBRYQOHWIDXUOE-UHFFFAOYSA-N 310.361 1.821 0 40 DDAB CS(=O)(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl 61341623 XALGSAUDQJUDDB-UHFFFAOYSA-N 302.783 1.948 0 40 DDAB O=C(NC[C@H]1CCCO1)c1c(-n2cnnn2)sc2c1CCC2 36360718 HOMUZHHFGDSZGH-SECBINFHSA-N 319.390 1.121 0 40 DDAB O=C([C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N1CCc2c(O)ncnc2C1 515941521 QEPCQSSQUBGXJG-IBHVXFMWSA-N 323.396 1.461 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12 36580012 GFTVFIOEGOBTRP-CQSZACIVSA-N 316.357 1.846 0 40 DDAB C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1 34952564 WVAIHONJJYEUMR-CYBMUJFWSA-N 318.398 1.842 0 40 DDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)C1CCCCC1 70636790 CGOFZXZQWUSJBS-HNNXBMFYSA-N 322.380 1.499 0 40 DDAB C[C@H](Nc1cnn(-c2ccccc2Br)c1)C(N)=O 126511835 JIBNWXWIGYYHFM-QMMMGPOBSA-N 309.167 1.921 0 40 DDAB C1CSCCNCCSCCOCCSCCN1 71614575 SLJKDXMTQMYBDP-UHFFFAOYSA-N 310.554 1.395 0 40 DDAB COC(=O)c1cc(F)ccc1CN1C(=O)[C@H]2CCCN2C1=O 78440779 HZJYGKKMOMREKZ-GFCCVEGCSA-N 306.293 1.539 0 40 DDAB O=C(c1ncccc1O)N1CCC2(CC1)C(=O)Nc1ccccc12 72144476 WEUAIMUVXDVTFK-UHFFFAOYSA-N 323.352 1.913 0 40 DDAB Cc1[nH]nc(CCC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)c1C 72164340 IYGPJLOXSQKVHD-INIZCTEOSA-N 320.393 1.450 0 40 DDAB Cc1nc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)n[nH]1 132865327 FAQGILDBNKXXSP-GFCCVEGCSA-N 322.413 1.519 0 40 DDAB COc1ccc([C@@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1 225874045 XULZQCLMBDWRKB-LLVKDONJSA-N 304.346 1.412 0 40 DDAB C[C@H](NS(=O)(=O)c1ccnn1C)[C@H]1Oc2ccccc2[C@@H]1C 329733995 JZWUMWMJMNWVSX-PGUXBMHVSA-N 321.402 1.652 0 40 DDAB O=C(O)c1cnc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cn1 570964023 CAHXJKOUVZJVQD-LBPRGKRZSA-N 312.329 1.501 0 40 DDAB COCCCNC(=O)[C@@H](C)N1CCN(c2ccncc2C)CC1 192565514 HSFXEOGKNSQCEA-OAHLLOKOSA-N 320.437 1.053 0 40 DDAB CCOc1cc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)ncn1 195567110 GMRFPNJPXXEXLP-ZIAGYGMSSA-N 306.410 1.301 0 40 DDAB Cn1cc([C@@H]2CN([C@H](C(=O)O)c3ccccc3F)CCO2)cn1 573733388 HQQSIDBGQSNPLR-GJZGRUSLSA-N 319.336 1.758 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C/C=C/c2ccccc2OC)C1 97235497 QMBIMWTXJWKWNP-VFADXPBXSA-N 324.446 1.722 0 40 DDAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccn2C)cn1 96500816 PRNWDQFBGZTRRB-UHFFFAOYSA-N 309.391 1.640 0 40 DDAB CC[C@@H](C)N(C)C(=O)[C@@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 96239498 WXPAQLYFHJNNOG-OCCSQVGLSA-N 320.389 1.910 0 40 DDAB CCc1noc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)n1 96455921 JPWDIDGMBXBLHM-CQSZACIVSA-N 308.769 1.776 0 40 DDAB COc1ccc([C@@H](O)[C@@](C)(Br)S(C)(=O)=O)cc1 96521312 BGETZCMDXKKPLZ-MNOVXSKESA-N 323.208 1.884 0 40 DDAB COCCN(C)c1ccc2ccc(C(=O)NCCN(C)C)cn12 96146125 ZKYQOAHVHDRPAF-UHFFFAOYSA-N 318.421 1.313 0 40 DDAB COCC(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224455 ISJTZKIWYNVHMW-QGZVFWFLSA-N 317.389 1.069 0 40 DDAB CCc1c(Cl)nc(C)nc1NCCN1CCCS1(=O)=O 96429302 MWAJCTMFTDLVQK-UHFFFAOYSA-N 318.830 1.448 0 40 DDAB NS(=O)(=O)CCCNC(=O)C1(Cc2ccccc2)CCC1 96466341 NTQLVXGHGKPKJY-UHFFFAOYSA-N 310.419 1.194 0 40 DDAB O=C(Nc1cccnc1Cl)N1CC[C@@H](CN2CCOCC2)C1 96441331 FHLBSOBBSDOTPV-LBPRGKRZSA-N 324.812 1.921 0 40 DDAB CCC(=O)c1cccc(S(=O)(=O)N2CCC3(CCN3)CC2)c1 333348697 ZXMYTSABNLOQAL-UHFFFAOYSA-N 322.430 1.796 0 40 DDAB O=S(=O)(Cc1ccccc1)NC[C@H](O)c1cccc(F)c1 96417488 SGPVWCURQGOEIV-HNNXBMFYSA-N 309.362 1.979 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N1CCC(O[C@H]2CCOC2)CC1 96452813 XZQGTLZDPSNGFS-PWSUYJOCSA-N 324.343 1.323 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN(C)[C@H](C(N)=O)c1cccc(F)c1 96445695 ZBMOHCXWKGKHDQ-WBMJQRKESA-N 321.396 1.685 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96038524 HQARJSCWCDLRGY-KFWWJZLASA-N 301.390 1.008 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(c1ncccn1)CC2 247964346 BDFNEQQCIVBJPS-LLVKDONJSA-N 300.366 1.393 0 40 DDAB COc1ccc(CC(=O)N2CC3(C[C@@H](OC)CS3)C2)cc1 247908803 IYHCIBZUPIUQBR-CQSZACIVSA-N 307.415 1.971 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 248579715 REYZTZDZGOHLKF-DPDCMNJDSA-N 314.385 1.586 0 40 DDAB Cn1cc(CCCCNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cn1 245338760 OKOMFILRMWURNN-RBSFLKMASA-N 320.437 1.856 0 40 DDAB O=C(NCC[C@H]1CCOC12CN(C1CCC1)C2)c1ccncc1 247519200 WUHXMNSVUJHIKZ-HNNXBMFYSA-N 315.417 1.845 0 40 DDAB O[C@H](CN1CCCN(c2ncccc2F)CC1)C(F)(F)F 252570644 XBKOCEXCNCQRFA-LLVKDONJSA-N 307.291 1.656 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257206312 BCUUWGXTCPEGKB-HNNXBMFYSA-N 324.344 1.270 0 40 DDAB NC(=O)CN1CCC[C@H]1c1csc(Nc2cnccn2)n1 257272880 NEFCINUBSHDIIU-JTQLQIEISA-N 304.379 1.299 0 40 DDAB Cc1c[nH]c([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257294980 QWMQRWAOIVXVDI-CYBMUJFWSA-N 302.382 1.148 0 40 DDAB Cc1nc([C@@H]2CCNC2)cc(N2CC3(CCOCC3)OC2=O)n1 257340122 ZEQONXAVRRWWSN-GFCCVEGCSA-N 318.377 1.368 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 26015350 FEMFLRDJXKBFEI-SECBINFHSA-N 322.390 1.372 0 40 DDAB C[C@H](C(=O)O)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 263541219 CWMLIAKWGZIBLB-GZMMTYOYSA-N 310.737 1.060 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H](Oc3ncccn3)C2)cn1 575604756 ATFSLYQDKLNYHE-GFCCVEGCSA-N 300.318 1.174 0 40 DDAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 69950576 SFUCSQYQGQVSQN-LBPRGKRZSA-N 317.794 1.285 0 40 DDAB Cc1ccc2ncc(C(=O)N3C[C@@H](C)OC[C@@H]3C)c(=O)n2c1 71800832 PRSDFFDZQYKUOP-NWDGAFQWSA-N 301.346 1.252 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 71866893 PNZFVCCHIAYEMR-NSHDSACASA-N 305.407 1.910 0 40 DDAB O=C(NCc1nnc2n1CCCC2)N1CCc2ccccc2C1 44972126 LLTDQSNHPXWYED-UHFFFAOYSA-N 311.389 1.882 0 40 DDAB C[C@@H]1COCCN1C(=O)COc1cccc(NC(=O)C2CC2)c1 47449740 HOUIJKYBBXHGEL-GFCCVEGCSA-N 318.373 1.661 0 40 DDAB CCn1cnnc1CNC(=O)NCc1ccc2c(c1)OCCO2 47862177 GOCSNGKIVJPPMK-UHFFFAOYSA-N 317.349 1.069 0 40 DDAB c1cc(OC[C@@H]2CCCN(c3ccc4nncn4n3)C2)ccn1 1776001653 FDVHKNYLSIKOPD-CYBMUJFWSA-N 310.361 1.815 0 40 DDAB CC(C)CN(CC(N)=O)CC(=O)NCc1ccc(Cl)s1 48571981 HBJPKSIXDWTSER-UHFFFAOYSA-N 317.842 1.461 0 40 DDAB Cc1cc(NC(=O)N(CCN(C)C)Cc2cccnc2)no1 56336571 HMUBDFOQDSCVHH-UHFFFAOYSA-N 303.366 1.974 0 40 DDAB CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 84789102 DSYLZOGSSCDQHM-CABCVRRESA-N 307.438 1.236 0 40 DDAB O=C(O)[C@@H](c1ccccc1)N1C(=O)C(Cl)=C(Cl)C1=O 1608400 SMTDFVBJHMFMFD-SECBINFHSA-N 300.097 1.870 0 40 DDAB Nc1nonc1CC(=O)N1CCCC[C@H]1CN1CCCCC1 12361003 LWVGWJQKAHCAOK-LBPRGKRZSA-N 307.398 1.061 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1nc(-c2ccsc2)oc1C 158710133 VYJRQWJURWAQBV-AAEUAGOBSA-N 322.386 1.820 0 40 DDAB CCN(CCc1nccs1)S(=O)(=O)C[C@@H]1CCCCO1 155375069 FEGQZWNTPRZZIE-LBPRGKRZSA-N 318.464 1.906 0 40 DDAB Cc1ccc(N2C[C@@H](NC(=O)N3CCC(O)CC3)CC2=O)cc1 4359959 XCZCPBJXHLXKAT-ZDUSSCGKSA-N 317.389 1.267 0 40 DDAB CCOCCCNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O 17401468 NYMYJUFAHYRTAG-UHFFFAOYSA-N 318.373 1.524 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)N1CCOc2ccc(F)cc2C1 575615422 FCXPRRYMWZTHCI-JTQLQIEISA-N 310.325 1.681 0 40 DDAB COc1ccc2oc(=O)c(C(=O)NC[C@@H]3CCCO3)cc2c1 802747 SRQJHIMRIGFLRJ-LBPRGKRZSA-N 303.314 1.710 0 40 DDAB Cc1csc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)n1 10717521 LODJDLCNCXDHNZ-UHFFFAOYSA-N 320.326 1.976 0 40 DDAB O=C(COc1ccccc1F)N1N=CC[C@]1(O)C(F)(F)F 5751915 RSUPUAHZUFPYDW-NSHDSACASA-N 306.215 1.674 0 40 DDAB NC(=O)c1ccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc1 1888975892 PNJIAUSJJAZYNE-UHFFFAOYSA-N 321.340 1.958 0 40 DDAB Nc1nc(SCC(=O)N2CCCC2=O)nc2sccc12 9885151 CYOMJJLAAUPBPW-UHFFFAOYSA-N 308.388 1.515 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1F 70173569 FEFSUVPLNUDXFC-NEPJUHHUSA-N 300.399 1.882 0 40 DDAB C[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 91496843 UIPPRYSCXLXBMY-CPCISQLKSA-N 308.325 1.523 0 40 DDAB Cc1ncnc(C(=O)N2C[C@H]3OCCN(C(C)C)[C@@H]3C2)c1C 1565550106 PQIMAGGHOGZPLN-ZIAGYGMSSA-N 304.394 1.027 0 40 DDAB CCOc1ccc(NC(=O)CN2C(=O)CSCC2=O)cc1 2710690 NLGGCDLCFXRZBX-UHFFFAOYSA-N 308.359 1.126 0 40 DDAB COc1ccc(NC(=O)CSc2nncc(O)n2)c(OC)c1 4292241 NVZPAZSMUXPIAX-UHFFFAOYSA-N 322.346 1.325 0 40 DDAB CSc1nnc(C)c(=O)n1COC(=O)/C=C/c1ccccc1 4495804 GBGBVLLXTKIFDQ-CMDGGOBGSA-N 317.370 1.883 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055771626 NHURYRWPGLFSFB-GFCCVEGCSA-N 304.394 1.112 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)Cc3cccs3)C2)nn1 585149675 KPXCAIXVDCRJJR-GFCCVEGCSA-N 306.391 1.502 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1c[nH]cn1 19657015 MQQKWLQWEHRBSY-UHFFFAOYSA-N 306.391 1.223 0 40 DDAB COC(=O)[C@@](O)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 2334096 NIXOBRGYJQLGHH-JTQLQIEISA-N 311.643 1.494 0 40 DDAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 249036099 SNMOXSPSJPKFCI-UKRRQHHQSA-N 314.451 1.615 0 40 DDAB Clc1nc(NCc2cccnc2)nc(N2CCOCC2)n1 51313 WVDWAUQJCZPMIM-UHFFFAOYSA-N 306.757 1.369 0 40 DDAB Cc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)no1 40489423 JRKGQDXKGMHODW-AWEZNQCLSA-N 319.361 1.688 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(Cc2nnsc2Cl)CC1 40466174 KRDBLADFHGWUIR-SNVBAGLBSA-N 316.814 1.015 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)[nH]n1 31613282 YSFXCRSPXRKFEY-NSHDSACASA-N 323.349 1.133 0 40 DDAB CCCCN(C)S(=O)(=O)N1CCN(c2ccncc2)CC1 40511325 BMKGMPZBJXDGBS-UHFFFAOYSA-N 312.439 1.180 0 40 DDAB COc1ccc(OCC(=O)NCc2ccco2)c(C(N)=O)c1 51970361 FMFRRGHDDMDKBA-UHFFFAOYSA-N 304.302 1.082 0 40 DDAB COc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C(N)=O)c1 51970651 LUQSJDYXQUILSY-SMDDNHRTSA-N 320.389 1.868 0 40 DDAB CC(C)CNC(=O)CN[C@H](CN1CCOCC1)c1ccccc1 32764904 REGZVWOWYXONRV-QGZVFWFLSA-N 319.449 1.422 0 40 DDAB CN(CC(=O)NC(C1CC1)C1CC1)S(=O)(=O)c1ccccc1 21564419 TWLWEPQOLWDTAW-UHFFFAOYSA-N 322.430 1.612 0 40 DDAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)/C=C/c2ccco2)C1=O 32904581 RBVGOOIKAKLZQM-LQYUOIDQSA-N 315.285 1.384 0 40 DDAB C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)CN1CCCC1 53109755 SGYHHTAELGHYSV-SNVBAGLBSA-N 318.343 1.901 0 40 DDAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccccn1 395784 BGLSDVVHSXPOQW-UHFFFAOYSA-N 312.358 1.788 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 47173358 ACYHEFUYJQWADA-ZDUSSCGKSA-N 322.430 1.909 0 40 DDAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CCO1 79482006 HBWLCTFEWHJIQQ-ZIAGYGMSSA-N 318.421 1.767 0 40 DDAB Cn1c(=O)n(C)c2nc(Br)c(Br)cc21 2307915 BJEOBHXBXILGCT-UHFFFAOYSA-N 320.972 1.797 0 40 DDAB COc1ccc(CCNC(=O)C(=O)NC2CCCC2)cc1OC 3058064 IJYQXBOXYLCSKO-UHFFFAOYSA-N 320.389 1.421 0 40 DDAB biogenic CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 6480057 VZSWQNMJKOTEJT-YRNVUSSQSA-N 303.343 1.543 0 40 DDAB C[C@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCC2 54804299 ORJXCYHBJPQGNY-XHDPSFHLSA-N 301.390 1.753 0 40 DDAB CC(C)CCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060199 ISFXKFUSXIYGGG-LBPRGKRZSA-N 316.409 1.732 0 40 DDAB CCN(CC(C)C)C(=O)CNC1=NS(=O)(=O)c2ccccc21 25974739 MPTSCCAPHUWTQM-UHFFFAOYSA-N 323.418 1.230 0 40 DDAB Cc1cccc(C(=O)N[C@H](C)C(=O)/N=c2/sccn2C)c1 103038736 FNDXUPDSXCAEDZ-WYFZMLARSA-N 303.387 1.641 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 107254052 BPURZFMOLHIGFY-QKDCVEJESA-N 301.390 1.704 0 40 DDAB Cc1nc2ccccc2nc1OCc1nc(N)nc(N(C)C)n1 48262485 SRYKLLRCMQTCME-UHFFFAOYSA-N 311.349 1.350 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)CN(C)Cc1ccccc1)C(=O)OC 58010038 DYZMSWKCNPMBPP-CJNGLKHVSA-N 306.406 1.822 0 40 DDAB Cc1noc(C)c1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 12777798 BQXNKXJAMHHSIG-UHFFFAOYSA-N 320.349 1.120 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N1CCc2ccc(OCC)cc2C1 58177993 HWOYPUCXQLJRDP-LBPRGKRZSA-N 319.405 1.678 0 40 DDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(C)=O)c1 58215129 GRTRDPSUZKNSLQ-UHFFFAOYSA-N 321.402 1.834 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355075 YEJDPGWPABRXOA-CJNGLKHVSA-N 322.380 1.888 0 40 DDAB C[C@H](COc1ccccc1F)NC(=O)NCC[S@@](C)=O 95398067 IXDBXUVCHSZIKL-SBKAZYGRSA-N 302.371 1.271 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1cccs1 25842518 WYHMMSDSKVSSEX-LBPRGKRZSA-N 316.448 1.221 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 12861390 IBHLVCOURBYTAF-HNNXBMFYSA-N 314.316 1.980 0 40 DDAB CC(C)C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 29107096 ADXKRAXNVCYJLA-CQSZACIVSA-N 315.373 1.440 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2OC[C@@H](CNC(=O)N(C)C)[C@H]2C1 306143923 YQSOGKKTMFEWEF-BPLDGKMQSA-N 322.409 1.009 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)Sc2nnnn2C)cc1 2618425 OUZQNJSBRHVEDS-VIFPVBQESA-N 307.379 1.016 0 40 DDAB COC(=O)[C@@]1(C(F)(F)F)CC(C)=C(C)CN1S(C)(=O)=O 2601200 HZYHIRYFBSVGKQ-SNVBAGLBSA-N 315.313 1.462 0 40 DDAB COC(=O)CN(CCC(F)(F)F)c1nc(C)nc(N(C)C)n1 95443212 KXAVMNUCKZPXQM-UHFFFAOYSA-N 321.303 1.178 0 40 DDAB CC[C@@H](C(=O)N[C@H](C)C(C)=O)N1C(=O)c2ccccc2C1=O 9203762 CYAGOALCAMFRTG-RNCFNFMXSA-N 302.330 1.155 0 40 DDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1nncs1 65399549 HMXFOAUTVFRMNM-WDEREUQCSA-N 311.411 1.161 0 40 DDAB Cn1ccnc1SCCN1C(=O)c2ccccc2S1(=O)=O 6369520 NRUSVSAHGADZMU-UHFFFAOYSA-N 323.399 1.357 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCc2ccc(O)cc2C1 95432163 WXSZIEXDTCOBTD-VIFPVBQESA-N 302.296 1.817 0 40 DDAB O=C(Cc1ccc(F)cc1)NCCNC(=O)Nc1ccccn1 65576049 LGNDBJWVHAPXLD-UHFFFAOYSA-N 316.336 1.701 0 40 DDAB CC(C)CN1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 65604414 WMFYDHZPHGKOBG-INIZCTEOSA-N 310.413 1.839 0 40 DDAB COc1ccc(CNC(=O)Cn2ccsc2=N)cc1OC 6579601 QMYRFJQGPZECCQ-UHFFFAOYSA-N 307.375 1.363 0 40 DDAB Cc1nc2ncnn2c(N2CCN(C)CC2)c1Cc1ccccc1 4999406 CTHNXQJCIHNNMW-UHFFFAOYSA-N 322.416 1.775 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4976706 OVLZQHTYFLCAQK-GFCCVEGCSA-N 323.824 1.761 0 40 DDAB O=C(NCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2 7068619 XQLCUPQDVNGHAG-UHFFFAOYSA-N 321.789 1.932 0 40 DDAB COc1cc(S(=O)(=O)NC2CCCC2)ccc1NC(C)=O 7375643 JOVVPZKHFJBCCT-UHFFFAOYSA-N 312.391 1.875 0 40 DDAB CCN(C[C@H](O)c1cccc(O)c1)c1ncnc2c1cnn2C 9532224 GUSCJTKNNCJBJP-AWEZNQCLSA-N 313.361 1.629 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@@H]2CN(C)CCN2C)c(C)c1 71897708 SQFBZNGPDRJZFS-MRXNPFEDSA-N 318.465 1.657 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 71870804 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Cc1cc([C@H]2CCCN(C(=O)CS(=O)(=O)C(C)C)C2)n[nH]1 89598993 SSSMCVCVOXUNPN-LBPRGKRZSA-N 313.423 1.247 0 40 DDAB CCc1onc(C)c1NC(=O)C(=O)N(C)Cc1cnn(CC)c1 95976087 IYHNWDOKKNEWJM-UHFFFAOYSA-N 319.365 1.359 0 40 DDAB Cc1nc2ccc(S(=O)(=O)NCCC(=O)O)cc2s1 27531107 UNTBGCNJCQIVNE-UHFFFAOYSA-N 300.361 1.358 0 40 DDAB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 31070197 SBTABEYHBUYAHV-LBPRGKRZSA-N 303.362 1.432 0 40 DDAB Cc1c[nH]ccc1=NC(=O)N1CCC(NC(=O)C2CC2)CC1 547994841 XBOYHZMGYLIXOW-UHFFFAOYSA-N 302.378 1.334 0 40 DDAB CN1CCOC[C@H]1c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 67898826 ZZUSSSPTAOHURT-AWEZNQCLSA-N 321.402 1.483 0 40 DDAB biogenic,in-vitro CN(CC(=O)N1CCOCC1)Cn1ccc(-c2ccccc2)n1 78919583 OONWLAZTBKXSOX-UHFFFAOYSA-N 314.389 1.298 0 40 DDAB Cc1ccc(Cl)cc1N1N[C@@H](O[C@@H](C)C(=O)O)C=CC1=O 32918622 OEMVQYZSTAUHOE-CABZTGNLSA-N 310.737 1.872 0 40 DDAB COc1cccc(CNS(=O)(=O)c2cnn(C(C)C)c2)c1 72239192 NOXHLOMBDGSCGB-UHFFFAOYSA-N 309.391 1.951 0 40 DDAB CCCCOC(=O)c1cc(N)ccc1Sc1nncn1N 70462468 HDIUBKGQQQGTCQ-UHFFFAOYSA-N 307.379 1.682 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218470769 NSWHTGUSYRGYPH-HRCADAONSA-N 311.447 1.741 0 40 DDAB O=S(=O)(c1cnccc1N1CCNCC1)N1CCCCCC1 72210651 WAMVXDFCSZDUHV-UHFFFAOYSA-N 324.450 1.056 0 40 DDAB CCCOc1c(Cl)cncc1S(=O)(=O)N1CCNCC1 72210782 UJUTWFOUURSSAK-UHFFFAOYSA-N 319.814 1.118 0 40 DDAB O=C(NCc1cccnc1)C(=O)Nc1cc(Cl)ccc1O 40284237 XYLSRFVNBCUKFV-UHFFFAOYSA-N 305.721 1.696 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCC2)[C@H]1c1cccc(F)c1 72241788 XLHXNROXIKZDCP-HUUCEWRRSA-N 306.337 1.346 0 40 DDAB O[C@@H](COc1ccc(F)c(C(F)(F)F)c1)CN1CCOCC1 188197705 VNQVRFIQKPFIDK-SNVBAGLBSA-N 323.286 1.916 0 40 DDAB Nc1ccc(CSc2nncn2N)c(Br)c1 73639569 XZXCQXFBGCISNH-UHFFFAOYSA-N 300.185 1.629 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)CCN1CC(F)F 195554942 MEBGBWUECPWZNR-UKRRQHHQSA-N 311.376 1.874 0 40 DDAB CN(CC(N)=O)Cc1cc2c(cc1Br)OCCO2 47628748 VLXPGOBWGXHHAL-UHFFFAOYSA-N 315.167 1.137 0 40 DDAB CN(CC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCSC1 89938692 JAARHADRLWCAOI-CQSZACIVSA-N 323.462 1.361 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H]1C 529973497 AIZGEPPWARDQLK-RSQPEXBXSA-N 302.378 1.957 0 40 DDAB Cc1nonc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C 195573200 OMZHLWVNKNVRJE-UHFFFAOYSA-N 313.383 1.648 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(CCN(C)C)C(=O)[C@H]3C2)s1 96244962 FTVUUDRAGCQNFB-ZFWWWQNUSA-N 307.463 1.508 0 40 DDAB O=C(c1ccccn1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058676 CXFYQRLWRGKEQM-ZDUSSCGKSA-N 324.384 1.617 0 40 DDAB COCCN1C[C@@H]2CN(Cc3ccoc3)CCC[C@]2(C(=O)O)C1 96185169 RGNUUMAMHLPFLC-RDJZCZTQSA-N 322.405 1.525 0 40 DDAB CN(C)CCN1CCOCC2(CCN(Cc3ccoc3)CC2)C1 96239841 VBYDCEMTZMWFMI-UHFFFAOYSA-N 321.465 1.756 0 40 DDAB CN(C)CCn1nnnc1SCc1nc2ccc(F)cc2o1 96465940 MCFJISBLXBOKKK-UHFFFAOYSA-N 322.369 1.807 0 40 DDAB COc1ccccc1N1CCN(c2nccn(C)c2=O)CC1 266100744 HQUDXOZWWLRPCI-UHFFFAOYSA-N 300.362 1.116 0 40 DDAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)n1 96253809 OQKUOLNIFWCNPX-IXDOHACOSA-N 315.417 1.602 0 40 DDAB Cc1noc(C)c1CN1CCOCC12CCN(C[C@@H](C)O)CC2 96074669 SGYKLHSLZZJWPX-CYBMUJFWSA-N 323.437 1.339 0 40 DDAB Cc1nccc([C@@H]2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3O2)n1 96070489 PMXSTWFBHAEAPA-TUKIKUTGSA-N 314.345 1.684 0 40 DDAB CNC(=O)CCOC(=O)c1cc(Br)ccc1F 96452532 OFMLBISSYLVVMT-UHFFFAOYSA-N 304.115 1.881 0 40 DDAB Cc1ccc(N2CC[C@H]3[C@H](Cc4n[nH]c(C)n4)OC[C@H]3C2)nn1 96217760 XQGQFWHOPWOFDW-MCIONIFRSA-N 314.393 1.296 0 40 DDAB O=C(c1ccco1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96188555 ITJZNQRBBPNPOM-CYBMUJFWSA-N 311.345 1.645 0 40 DDAB COc1ccc(C(=O)N2CC[C@H](N(C)C)C[C@H]2C(=O)O)cc1 96068994 CPDPOVAGTPIAJE-JSGCOSHPSA-N 306.362 1.315 0 40 DDAB Cn1cc(CN2CC3(C[C@H](Oc4ccccn4)CCO3)C2)cn1 248131663 NKSZECCVQMBVNU-OAHLLOKOSA-N 314.389 1.628 0 40 DDAB O=C(NCc1cccs1)c1cc(N2CCOCC2)ncn1 240122335 VVZASGIGRMYMNX-UHFFFAOYSA-N 304.375 1.305 0 40 DDAB O=C(c1ccoc1)N1CCO[C@@H]2[C@H](Cn3cnnc3)CC[C@@H]21 247867610 PEFVAOPRSSYASJ-FPMFFAJLSA-N 302.334 1.191 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2nccn2C(C)C)CCO1 257307839 TUIMGRHBBOSFMU-ZDUSSCGKSA-N 316.409 1.869 0 40 DDAB CC(=O)OCC(=O)NCC1CCN(C2CCSCC2)CC1 252492098 MCPSZMRWAIRINN-UHFFFAOYSA-N 314.451 1.273 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cnccn3)CC[C@H]21 257312169 UMTJAQCLNGVIHY-GOEBONIOSA-N 318.421 1.326 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCn2nnc3ccccc32)C1 257278995 OENPMLCIRRJLRM-CYBMUJFWSA-N 324.388 1.869 0 40 DDAB Cc1nn2c(=O)c3ccccc3n(CCC(=O)O)c2c1N=O 255190374 WWWVKJBCKFARDK-UHFFFAOYSA-N 300.274 1.830 0 40 DDAB Cn1cc(-c2nc(C3(c4ccccc4)CCOCC3)no2)nn1 350349873 YXXXAKGWUSJJGG-UHFFFAOYSA-N 311.345 1.962 0 40 DDAB CCOc1cc(C)nc(N2CCN(c3cnccn3)CC2)n1 266181262 ARHROIRSVPNNIY-UHFFFAOYSA-N 300.366 1.300 0 40 DDAB Cn1cc(-c2ccc(CNC(=O)OC[C@H]3CCOC3)cn2)cn1 575617744 ZVAWPWLJOXIBBT-ZDUSSCGKSA-N 316.361 1.745 0 40 DDAB OC[C@@H]1CCn2cncc2CN1Cc1ccc2c(c1)OCO2 585097678 PILYRBFPDBEIOL-ZDUSSCGKSA-N 301.346 1.379 0 40 DDAB Cc1ccc(-n2cc(S(=O)(=O)NC[C@H]3CCCO3)cn2)cc1 69948093 YCCVQVMQBUYDJQ-CQSZACIVSA-N 321.402 1.638 0 40 DDAB O=C(CCOc1ccc(F)cc1)N[C@@H]1CCc2nccn2C1 97197590 OWJOGNDQQRIPDT-CYBMUJFWSA-N 303.337 1.922 0 40 DDAB Cc1nc(C(=O)NC2CCOCC2)nn1-c1ccc(F)cc1 79022541 NIBHAGCCXVHXIF-UHFFFAOYSA-N 304.325 1.624 0 40 DDAB OC[C@H](O)CSCc1noc(-c2ccc(Cl)cc2)n1 93958957 KBDRUOPZTZUOER-JTQLQIEISA-N 300.767 1.976 0 40 DDAB CCCC1=NN(C(=O)C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)C1 5027605 KWMWOQZVTAZQCY-LBPRGKRZSA-N 324.299 1.967 0 40 DDAB Cn1cc(C(=O)N2CC[C@H](c3nc(-c4ccccn4)no3)C2)cn1 19290536 BKPVDYMBWFTSDB-NSHDSACASA-N 324.344 1.495 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCO[C@@H](C2CC2)C1 153964192 GBMMBHCVTZUBEQ-IXDOHACOSA-N 318.417 1.847 0 40 DDAB CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccs1 427255 YLGBRSRQYMSQDP-UHFFFAOYSA-N 302.421 1.427 0 40 DDAB O=C(c1cnccn1)N1CCOC[C@H](Cc2ccccc2F)C1 607855042 DKQKJIPMZFWLBW-CYBMUJFWSA-N 315.348 1.947 0 40 DDAB COc1cccc(N2CCN(Cc3nnc4n3CCC4)CC2)c1 1888864244 YFBXHDZTABAHMA-UHFFFAOYSA-N 313.405 1.555 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3nccnc3C)CC2)n1 1889078142 XWYYNNUJHJGEIF-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1OC 6848136 ADUOAIBOPUWDDZ-VIFPVBQESA-N 301.364 1.860 0 40 DDAB CCn1cc(Br)c(C(=O)NCc2cccnc2)n1 27971341 YEVCZNAYASTQJQ-UHFFFAOYSA-N 309.167 1.991 0 40 DDAB COc1cnc(O[C@@H]2CCN(c3nc(C4CC4)ns3)C2)nc1 2087126988 GBDCQUUYECOFPY-SNVBAGLBSA-N 319.390 1.872 0 40 DDAB CN(C(=O)CSc1nc(O)c2cn[nH]c2n1)c1ccccc1 4249742 CDMXXHKLKLWZCS-UHFFFAOYSA-N 315.358 1.814 0 40 DDAB O=c1[nH]c2ncccc2c(=O)n1CCc1c[nH]c2ccccc12 6739368 GPURXXPDQGCDFG-UHFFFAOYSA-N 306.325 1.809 0 40 DDAB COCC(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1 11693495 ZUFCADSQRZGLIN-UHFFFAOYSA-N 312.329 1.990 0 40 DDAB C[C@@](O)(CNS(=O)(=O)CCc1ccccc1)Cc1ccco1 206617779 BVRXSEFSALIYRN-INIZCTEOSA-N 323.414 1.735 0 40 DDAB Cc1cnc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)nc1 2298061412 ORZMRYATSWDGSS-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB CCOc1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 40459173 RUUPCNJWWFEEJV-RBSFLKMASA-N 309.406 1.934 0 40 DDAB Cc1cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)no1 40489422 JRKGQDXKGMHODW-CQSZACIVSA-N 319.361 1.688 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 40596997 NWJBKSILGIBWGO-SNVBAGLBSA-N 304.362 1.585 0 40 DDAB COC(=O)CNC(=O)Nc1ccccc1C(=O)N1CCCCC1 20725359 RMVGMWBSVPIXGV-UHFFFAOYSA-N 319.361 1.607 0 40 DDAB CC(C)(C)c1cnc(CN2CCC(N3CCNC3=O)CC2)o1 52217169 NRCBSLJOIRVJNK-UHFFFAOYSA-N 306.410 1.962 0 40 DDAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N1CCc2ccccc21 33058261 LCRZPGXSAYXECV-GXTWGEPZSA-N 301.390 1.032 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N(CCN(C)C)C1CCCC1 53152794 PRDZXEPTNXGSNO-UHFFFAOYSA-N 306.454 1.912 0 40 DDAB CCn1c(=O)[nH]c2cc(C(=O)N3CCCCC3)ccc2c1=O 534150 IFXOWFLCPLBDBI-UHFFFAOYSA-N 301.346 1.336 0 40 DDAB COc1ccc([C@@H](CNC(=O)C2CCC2)N2CCOCC2)cc1 22686219 XOPPVWBNZQGWBX-QGZVFWFLSA-N 318.417 1.985 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(CC3(O)CCCCC3)CCO2)n1 78894400 PXOSRWDTPNVYEX-ZDUSSCGKSA-N 308.426 1.997 0 40 DDAB OC1(CN2CCO[C@H](CNc3cccnn3)C2)CCCCC1 78899942 UKIBVTNKKMUFJP-CQSZACIVSA-N 306.410 1.285 0 40 DDAB Cn1ccnc1COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 54021167 ZVXVRFAEJZXUJC-UHFFFAOYSA-N 324.340 1.940 0 40 DDAB C/C=C/C(=O)OCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 23261058 PIMQNSMQFZTXSV-UFFNRZRYSA-N 305.330 1.754 0 40 DDAB Cc1nc(NS(=O)(=O)c2cccnc2)nc2c1CCCC2 97114372 FNRFUWDKUSLXAL-UHFFFAOYSA-N 304.375 1.860 0 40 DDAB O=C(NCCc1ccccn1)c1sccc1-n1cnnn1 42880671 AMYPIAXAUPZPER-UHFFFAOYSA-N 300.347 1.091 0 40 DDAB O=C(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccco1 24184040 KJUGSDBEWWQETR-VIFPVBQESA-N 304.268 1.810 0 40 DDAB COC(=O)c1cn(-c2ccc(C)cc2)cc(C(=O)OC)c1=O 8730392 SFYGRVVWULYKCR-UHFFFAOYSA-N 301.298 1.719 0 40 DDAB COC[C@H](C)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 8774584 FGFNAXWTKPXVIG-VIFPVBQESA-N 318.295 1.586 0 40 DDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC2(CC1)OCCO2 24995886 LWWUKYKGYWFLDK-SNAWJCMRSA-N 305.378 1.416 0 40 DDAB Cc1ccc(S(=O)(=O)NN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 109321891 AXBKAXQDRJFZLN-BETUJISGSA-N 322.386 1.364 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2Cc3ccccc3O2)no1 25263719 QEAYMSRGPZECRG-MFKMUULPSA-N 316.313 1.857 0 40 DDAB COC(=O)c1sc(NC(=S)NC(=O)C(C)C)nc1C 9140297 SBHRPDZMOTUJOW-UHFFFAOYSA-N 301.393 1.707 0 40 DDAB Cc1cc(CN2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)on1 25303727 YCSCOFGZJMCXHB-QGZVFWFLSA-N 319.380 1.973 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1Cc2cc(Cl)ccc2O1 97197950 PYWYCUMPFVMVIB-TZMCWYRMSA-N 317.776 1.971 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCO1 43701011 YOVGJPFYMMLUSH-NSHDSACASA-N 317.700 1.170 0 40 DDAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccs1 26819009 AFLRGJKWMQVBPX-VIFPVBQESA-N 321.445 1.417 0 40 DDAB CC(C)c1nnc(CNC(=O)[C@@H]2OCCc3ccccc32)n1C 97114702 CNKFQUMDUPTPAX-OAHLLOKOSA-N 314.389 1.869 0 40 DDAB Cc1noc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)n1 27297502 WYFLUFYWSLUQCN-VIFPVBQESA-N 314.301 1.430 0 40 DDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccnc1 27383620 WKHARDGJKHYUOO-LLVKDONJSA-N 319.386 1.562 0 40 DDAB CC1([C@@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)OCCO1 97108678 KGSWKFJJYFXKMB-GFCCVEGCSA-N 310.419 1.822 0 40 DDAB Cc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCN(C)CC2 100419513 GGBMORQSPCTZJO-CQSZACIVSA-N 318.373 1.343 0 40 DDAB c1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)nc1 107728888 BBUFIYUDWGHPGR-NVXWUHKLSA-N 311.389 1.717 0 40 DDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1ccc(Cl)cc1 22592368 WEHHCSWUPCBRHH-GFCCVEGCSA-N 311.769 1.027 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H](N2CCOCC2)C[C@H]1C(=O)O 107820855 QDRVHOXUNOEZEE-HIFRSBDPSA-N 323.393 1.041 0 40 DDAB CCOCC(=O)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 103943169 HAXGDZLMSFPUBT-MRXNPFEDSA-N 303.362 1.074 0 40 DDAB O=c1ccc(-c2ccc(Cl)cc2)nn1CN1CCOCC1 28617653 NUAFZIDAWJMLMZ-UHFFFAOYSA-N 305.765 1.853 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)N3CCO[C@H](C)C3)c(C)n2n1 29789967 CBYMCWUEIVIMHJ-GFCCVEGCSA-N 316.405 1.834 0 40 DDAB O=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1 3406202 FGKZNGBUNZVXKY-UHFFFAOYSA-N 309.174 1.114 0 40 DDAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)cn1 48515837 SQYDUBXSWZSCBQ-ZDUSSCGKSA-N 320.393 1.276 0 40 DDAB CC[C@@H](C)NC(=O)COC(=O)c1cncc(Br)c1 3575701 SNQMEQKTHMHUFG-MRVPVSSYSA-N 315.167 1.916 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)C 46797210 STAVUHWAWGPHNP-UHFFFAOYSA-N 304.799 1.357 0 40 DDAB O=C(CCOc1ccc(Cl)cc1)NCCN1CCOCC1 46743284 OHAZAHNLOZSEEA-UHFFFAOYSA-N 312.797 1.557 0 40 DDAB Cc1cc(C)cc(C2(C(=O)N(C)CC(C)(CO)CO)CC2)c1 97236658 IBTAIHRFLMDNJZ-UHFFFAOYSA-N 305.418 1.784 0 40 DDAB CC[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4063131 FPHRLNBKMDDMRT-GFCCVEGCSA-N 319.313 1.329 0 40 DDAB biogenic COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn21 13728046 IPSATZDCRAMFNU-JTQLQIEISA-N 301.306 1.117 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(N)=O)c1C 13985662 OLQSDQLXKYKXOK-ZDUSSCGKSA-N 310.419 1.559 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccoc2)c1 65415513 HLKRCZIMEMKTAI-AWEZNQCLSA-N 320.345 1.830 0 40 DDAB CNS(=O)(=O)c1cccc(CNc2cc(C)nc(C)n2)c1 65454280 RJHLXPVXMKJZIJ-UHFFFAOYSA-N 306.391 1.614 0 40 DDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cccc(F)c1 66221610 SMUDZISASHTTGL-UHFFFAOYSA-N 317.320 1.793 0 40 DDAB COc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1OC 6906125 RKDKBMCNBUHPMD-UHFFFAOYSA-N 324.377 1.357 0 40 DDAB CCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 4996192 SVBYGGRKXWCTDV-UHFFFAOYSA-N 304.799 1.551 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2)cn1 4985501 UBAOJSJZEOATDU-UHFFFAOYSA-N 301.321 1.689 0 40 DDAB Cc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)nc1 96345580 LUSTVWMSSZATRC-UHFFFAOYSA-N 312.373 1.854 0 40 DDAB NCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F 95432010 XVMGWPFPBFYMBI-UHFFFAOYSA-N 300.277 1.472 0 40 DDAB Cc1csc(=O)n1CCC(=O)N=c1[nH]c2ccccc2[nH]1 16493366 APLOTAKTOATWME-UHFFFAOYSA-N 302.359 1.545 0 40 DDAB CCOc1cc(C(=O)CCC(=O)NCCC(=O)OC)ccc1O 16694813 YBCIKWOBYULEPF-UHFFFAOYSA-N 323.345 1.433 0 40 DDAB Cc1cc(CNCc2c(C)nn(C)c2N2CCOCC2)no1 69390112 QACUFUFEBIQINW-UHFFFAOYSA-N 305.382 1.151 0 40 DDAB Cc1ccc2ncc(C(=O)N3CCO[C@H]4CCC[C@@H]43)c(=O)n2c1 71823509 WAYAHLIKOVSWPA-KBPBESRZSA-N 313.357 1.396 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCc2c(C)nn(CCO)c2C)c1 69455055 ATFLHHAUVOHSCA-TZMCWYRMSA-N 305.426 1.736 0 40 DDAB O=C(NCc1ccc(F)c(Cl)c1)N[C@@H]1CCCCNC1=O 69619204 VZAPGSKNMWZGQA-GFCCVEGCSA-N 313.760 1.947 0 40 DDAB O[C@@H](CN1CCN(Cn2cc(Cl)cn2)CC1)c1ccccc1 71920487 HLPVRVVNZBVXTQ-INIZCTEOSA-N 320.824 1.845 0 40 DDAB Cc1cc(N(C)[C@H]2CCCN(c3cccnn3)C2)n2ncnc2n1 69877264 PXBLCGZZJZOSIS-ZDUSSCGKSA-N 324.392 1.328 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CCC[C@H]1C(=O)O 70522432 ISIDSVGOLWVZET-SFYZADRCSA-N 305.256 1.271 0 40 DDAB CCOCCN1CCN(Cc2noc(C3CC3)n2)C[C@@H]1CC 69972474 ZLSGLDRBYMRERJ-AWEZNQCLSA-N 308.426 1.880 0 40 DDAB Cc1cc(NCCn2cccn2)n2nc(C(F)(F)F)nc2n1 69922212 WDUXYIKTEKKYRZ-UHFFFAOYSA-N 311.271 1.760 0 40 DDAB C[C@@H](OC(=O)c1cc[nH]c(=O)c1)C(=O)Nc1ccc(Cl)cn1 84069732 ACHHKHBCBGSKCB-MRVPVSSYSA-N 321.720 1.607 0 40 DDAB CN(C)c1cccc(CNC(=O)N[C@@H]2CCCn3ncnc32)n1 95437665 PTLFVPXSZKNJOF-GFCCVEGCSA-N 315.381 1.073 0 40 DDAB Cc1cccc(C[C@H](CNC(=O)[C@@H](C)n2cccn2)C(=O)O)c1 95425402 VYTOADWWEHRICB-UKRRQHHQSA-N 315.373 1.812 0 40 DDAB CC(C)c1nc(N[C@@H]2CCCCC[C@@H]2C(N)=O)nc(N(C)C)n1 97032341 WSXJDRIDDMXASR-NWDGAFQWSA-N 320.441 1.907 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3cc4ccccc4[nH]3)C2=O)cn1 72287344 YIYOUHIDYWZFBG-AWEZNQCLSA-N 323.356 1.437 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc2[nH]cnc12 72288803 KIKIPAQTJIEYDN-UHFFFAOYSA-N 319.328 1.720 0 40 DDAB CN(CCc1cccs1)C(=O)Nc1ccc(C(N)=O)nc1 95980619 VZXGWFBRRJATHB-UHFFFAOYSA-N 304.375 1.948 0 40 DDAB C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)O 95970471 GBUJOSVKZBRJJK-RYUDHWBXSA-N 304.346 1.219 0 40 DDAB Cc1nc(C)c(C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)s1 89559017 FZWQIUYMVOFVAH-HNNXBMFYSA-N 320.418 1.881 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)NC3CCOCC3)C2)n[nH]1 89599013 BQPQUHKYDWNDIP-CYBMUJFWSA-N 306.410 1.193 0 40 DDAB O=C1NC[C@H](C(=O)Nc2ncc(Cc3cccc(F)c3)s2)N1 89775126 HYZBYWWUVLJCCR-LLVKDONJSA-N 320.349 1.493 0 40 DDAB O=C(NCc1ccc(-c2cccnc2)cc1)N[C@@H]1CCCNC1=O 89794103 VAYQCNRTHCNLRZ-MRXNPFEDSA-N 324.384 1.826 0 40 DDAB Cc1nc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)no1 75603722 QBOCXAYSOVHNNR-ZDUSSCGKSA-N 322.434 1.945 0 40 DDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCc3ccncc3)C2)C1=O 76059035 BRUZOLXEWSLIPB-YOEHRIQHSA-N 316.405 1.276 0 40 DDAB CCNCCNC(=O)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 20029581 GHFTYAWXLJQBIJ-UHFFFAOYSA-N 319.405 1.107 0 40 DDAB CCN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1 22585829 ZKCKXFBKJJZFEO-UHFFFAOYSA-N 307.394 1.280 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(C)CC1 22585693 YTLKRTGGYXKEEA-LBPRGKRZSA-N 305.378 1.032 0 40 DDAB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)NC1=S 409004418 BAFNNZUXQHYBNL-XFFZJAGNSA-N 306.343 1.228 0 40 DDAB CCOC(=O)Cc1csc(-n2cnc3ccccc3c2=O)n1 61997387 AWVPKEOCEMSUGK-UHFFFAOYSA-N 315.354 1.948 0 40 DDAB O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCN1CCOCC1 73658370 UGKWDTGAIQUSKV-UHFFFAOYSA-N 323.780 1.066 0 40 DDAB Cc1ccc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)o1 72335540 BSTDIKNLENOMRP-UHFFFAOYSA-N 314.389 1.830 0 40 DDAB CC[C@@H](CO)Nc1nc(Nc2ccc(C)cc2)c2n[nH]nc2n1 62022645 RZSXZOLORFJFQE-JTQLQIEISA-N 313.365 1.983 0 40 DDAB O=C1C[C@H](NC(=O)C2c3ccccc3Oc3ccccc32)CN1 70640668 JEBQDDGMJQTUIB-NSHDSACASA-N 308.337 1.929 0 40 DDAB CC[C@H]1CCCCN1C(=O)CN1CCC(n2cnnc2O)CC1 559691277 CJOYDPIGBMOLNM-ZDUSSCGKSA-N 321.425 1.412 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)c1cn2cc(C)ccc2n1)C(=O)OC 36569622 AESPOARBDPHXJE-BXUZGUMPSA-N 303.362 1.960 0 40 DDAB NCC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 79412248 LPIGPDLKSJNHDR-UHFFFAOYSA-N 305.378 1.110 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CCO1 49864788 QLFFSIYQKKHNDD-JTQLQIEISA-N 309.318 1.966 0 40 DDAB COc1ccc(NC(=O)NC[C@](C)(O)CSC)cc1OC 75157370 FGCZJYOADFHEMC-AWEZNQCLSA-N 314.407 1.939 0 40 DDAB Cc1ccc(NCCNC(=O)[C@@H](C)Oc2ccccc2)nn1 42380662 YGELSJSXIGFIFR-CYBMUJFWSA-N 300.362 1.781 0 40 DDAB Cc1cccc([C@H](C)N2CCC[C@@H](CNS(N)(=O)=O)C2)c1 195531469 LBPNVVDPCXPRIV-KBPBESRZSA-N 311.451 1.561 0 40 DDAB CCN(CC(=O)NC)C(=O)Cc1nc(-c2ccco2)oc1C 69559939 DQHMETQDRVWKTI-UHFFFAOYSA-N 305.334 1.380 0 40 DDAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 223597330 KHBYGDSHNRBOLZ-KBPBESRZSA-N 302.403 1.385 0 40 DDAB O=C(NCCS(=O)(=O)CCc1ccccc1)c1ccoc1 225721311 SIDXWOUCTJPSCQ-UHFFFAOYSA-N 307.371 1.667 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@](C)(O)c1ccc(F)cc1F 81424500 IGOOOMHYUYPJLL-INIZCTEOSA-N 323.343 1.953 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 220177139 QYEMTBKBISUKGV-NSHDSACASA-N 308.382 1.931 0 40 DDAB O=C(CC(F)(F)F)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96182445 PBTLORBAPWLEKJ-AOOOYVTPSA-N 300.284 1.324 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2ccc(C)o2)C3)n1 96038740 PNEOWXCKEBVACY-CZUORRHYSA-N 317.345 1.852 0 40 DDAB COC(=O)C[C@H]1CSCCN1Cc1nccn1C(F)F 96475506 KJRYYCBHRBXBPW-VIFPVBQESA-N 305.350 1.759 0 40 DDAB CC[C@H](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 96408573 TXKLQINDVMETIE-HIFRSBDPSA-N 324.446 1.720 0 40 DDAB CC(C)CCN1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 96001809 VNPCTESGRPMAJG-CYBMUJFWSA-N 305.382 1.890 0 40 DDAB CC(=O)N1Cc2cncn2C[C@H](COc2nccc(C)n2)C1 96218674 XHHFOEQOHRGFFL-CYBMUJFWSA-N 301.350 1.039 0 40 DDAB COc1ccc([C@@H](N)c2n[nH]c(Cn3cccn3)n2)cc1OC 95533841 QNIQQVJYTFZNRW-CQSZACIVSA-N 314.349 1.115 0 40 DDAB CN1CC2(C1)OCC[C@@H]2CCNS(=O)(=O)c1ccccc1 248085208 RIEHAQDPBOJRSX-ZDUSSCGKSA-N 310.419 1.076 0 40 DDAB O=C(C[C@H]1CN(c2ncccn2)Cc2ccnn21)NCC1CC1 247844313 GMRITAYKFRIURE-AWEZNQCLSA-N 312.377 1.151 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 257280081 OJJAIERFLIRCKT-HNNXBMFYSA-N 301.394 1.753 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2cccnn2)n1 257330622 XPDGKMBYVKJRCY-OAHLLOKOSA-N 312.377 1.306 0 40 DDAB CCCc1nnsc1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257267694 MILFPSPXRCUVHN-FZMZJTMJSA-N 311.407 1.511 0 40 DDAB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(COC)C(=O)O)cc1 252515335 IVGWJKJLPGIBIW-VNHYZAJKSA-N 312.387 1.477 0 40 DDAB Cc1oc2c(c1C(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O)CCCC2 257295234 QXNQSELCEHXSTQ-XJKCOSOUSA-N 307.390 1.813 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)[C@H]1O 257319381 VSECOPPPRQQHSI-BZUAXINKSA-N 306.406 1.406 0 40 DDAB Cn1cc(C(=O)N2CCC(c3ccn4nccc4n3)CC2)cn1 257255854 KJCQJNULSKIOPH-UHFFFAOYSA-N 310.361 1.483 0 40 DDAB CO[C@H]1[C@H](C(=O)N(C)Cc2cc(C)on2)CC[C@H]1N(C)C(C)=O 585281402 XAYLNWGUSOAHIT-KFWWJZLASA-N 323.393 1.213 0 40 DDAB COCCOCCOc1ccc([C@@H](N)CC(=O)O)cc1OC 584906252 QRPSXHHJBOMGNN-LBPRGKRZSA-N 313.350 1.212 0 40 DDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccs1)C2 585102721 BVSNDMUXIXLEKP-LBPRGKRZSA-N 315.460 1.774 0 40 DDAB CCN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)C1CC1 32913769 MRYXSOCUEWSOIY-UHFFFAOYSA-N 315.417 1.455 0 40 DDAB Cc1n[nH]c(=O)c(C(=O)N2CCC(CN(C)C(C)C)CC2)c1C 71830803 YFTIQLPDCWKWQJ-UHFFFAOYSA-N 320.437 1.579 0 40 DDAB c1cnc(OCC2CCN(Cc3nnc4n3CCC4)CC2)nc1 1775996106 VHKYSYQMPBZBMT-UHFFFAOYSA-N 314.393 1.305 0 40 DDAB CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1 74760097 CAFNKTHINKOAQG-ARFHVFGLSA-N 306.406 1.847 0 40 DDAB CCn1nc2c(cc1=O)CN(c1ncnc3ccsc13)CC2 76064267 ZHWPDNIQYHZNLX-UHFFFAOYSA-N 313.386 1.831 0 40 DDAB Cc1cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)n[nH]1 84110216 ZBGYECQAJMACDM-STQMWFEESA-N 316.405 1.435 0 40 DDAB CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc2ccccc2o1 84936606 KPEWRGAQQCAAKG-LBPRGKRZSA-N 324.402 1.872 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC(Oc2cccnn2)CC1 96119356 RNHUYKMDFKUKLU-UHFFFAOYSA-N 302.334 1.765 0 40 DDAB COCC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 40542338 VYZODKRFZCUMGT-UHFFFAOYSA-N 315.373 1.028 0 40 DDAB COc1ccc(CN2CCN(c3ccncn3)CC2)cc1F 1203792483 QJNLTCZHWQUGEI-UHFFFAOYSA-N 302.353 1.947 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)s1 98019254 RNOGGWLYTBDZDL-QWRGUYRKSA-N 314.432 1.488 0 40 DDAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C)O3)c(F)c1 1549162486 RBUGHXJYXRMVQD-UHFFFAOYSA-N 322.336 1.603 0 40 DDAB NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C2CCCC2)C[C@H]1O 1615192185 RWQOPAWPJDDILW-HUUCEWRRSA-N 314.389 1.295 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H]2OC[C@H]3OC(C)(C)O[C@@H]23)cc1 5575147 CHGSRESNWMBIGI-MGPQQGTHSA-N 312.387 1.688 0 40 DDAB O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 5297515 KKOVEKOYDFHKKJ-MELADBBJSA-N 317.341 1.563 0 40 DDAB COc1ccccc1C(=O)N1CCN(c2nccn2C)CC1 13668276 MMGOHGHAFMGAIW-UHFFFAOYSA-N 300.362 1.391 0 40 DDAB 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CCC[C@](C)(NS(=O)(=O)c1ncn(C)c1Cl)C(=O)OC 32825706 LFKJNHDTTABNTQ-NSHDSACASA-N 323.802 1.084 0 40 DDAB C[C@@H](C(=O)N(C)Cc1ccc(Br)o1)n1cncn1 32914745 LETZHYDLNCJOHB-QMMMGPOBSA-N 313.155 1.853 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2snnc2C)CC1 112318 MXEIWBGYXMMPAS-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)CC(N)=O 47109688 VMISVDBOKCZXGQ-UHFFFAOYSA-N 324.743 1.531 0 40 DDAB COc1ccc(C=O)cc1CN1C(=O)N[C@]2(CCSC2)C1=O 47203517 LWWCBNUXJKVXPJ-HNNXBMFYSA-N 320.370 1.435 0 40 DDAB Cc1c(C)n(CCN(C)C)c2ncn(Cc3ccccn3)c(=N)c12 8993484 LVBDRCGQOUQJSG-UHFFFAOYSA-N 324.432 1.939 0 40 DDAB CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)S(=O)(=O)CC3 1636353 FZYNCQAIRAUVKB-UHFFFAOYSA-N 307.327 1.049 0 40 DDAB CC(=O)N1CCCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 42464385 YSWBHOHIBNBDFG-OAQYLSRUSA-N 308.403 1.118 0 40 DDAB CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 8476085 YNQOEBJTKDEOEZ-JTQLQIEISA-N 314.407 1.522 0 40 DDAB O=C(O)CN[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100177484 VBINAWMSALOXDL-OKILXGFUSA-N 306.362 1.898 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCC(=O)NC1 47997537 DRRDYHJWYLMFQV-LBPRGKRZSA-N 304.346 1.290 0 40 DDAB CC(C)n1cnc2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21 95401861 UXWRNJHOCAEGEQ-UHFFFAOYSA-N 321.402 1.488 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCC1=CCCCC1 25969273 PQFVBFFSJRAPTR-AWEZNQCLSA-N 314.451 1.807 0 40 DDAB O=C(NC1CC1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107519295 RWWTZJJGUHOGPI-HZPDHXFCSA-N 301.390 1.444 0 40 DDAB C[C@H]1CCc2c(C(=O)N3CCS(=O)(=O)CC3)csc2C1 57888629 MOIVYPWHRBEHQK-JTQLQIEISA-N 313.444 1.744 0 40 DDAB CC1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 48261979 XQIRKOWYGMPSNG-BPCQOVAHSA-N 317.455 1.288 0 40 DDAB O=c1cc(CNC[C@H]2Cc3ccccc3O2)nc2ccccn12 58194572 RGJPZDIDZCZBCD-OAHLLOKOSA-N 307.353 1.788 0 40 DDAB O=C(NCc1ccccn1)Nc1ccc(N2CCOCC2)nc1 44895357 NXQBSZAZTAVDHL-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB C[C@H](SCc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 58295325 ZMQDQARVQUZJQA-DZGCQCFKSA-N 308.447 1.755 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 27881322 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CCn1cc(/C=C/C(=O)NC(=S)Nc2cc(C)nn2C)cn1 2745790 OXZOQLZISJGNHU-AATRIKPKSA-N 318.406 1.471 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1CCCCC1 3505724 CTVAPQBIAVTONY-UHFFFAOYSA-N 307.394 1.548 0 40 DDAB CONC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 63727104 SUCYELISNDVTMA-LBPRGKRZSA-N 305.359 1.361 0 40 DDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1ccc(Br)s1 49413547 PYJUUDMSMNPYDZ-YFKPBYRVSA-N 312.210 1.299 0 40 DDAB N[C@H]1CCN(C(=O)c2c(F)cc(Br)cc2F)C1 94716941 YIWMBUIXYKYARC-ZETCQYMHSA-N 305.122 1.901 0 40 DDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2cccnc2)c1C 13721922 UNAGRJAJMXUENV-UHFFFAOYSA-N 301.350 1.170 0 40 DDAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)N1CCCC1 6138677 OJZCQUFZTHRWEA-LLVKDONJSA-N 317.418 1.980 0 40 DDAB C[C@@H](O)CCNC(=O)NCc1cn(C)nc1-c1ccccc1 96008150 TXEBIDCCKUVZGR-GFCCVEGCSA-N 302.378 1.657 0 40 DDAB COc1cc(CNC[C@H]2CN(C)CCO2)c2c(c1)C[C@H](C)O2 65615076 NZOVAIAKNRYKNW-LRDDRELGSA-N 306.406 1.439 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](c3nccs3)C2)on1 97199813 BODPLOBFWGJHAM-MNOVXSKESA-N 322.390 1.840 0 40 DDAB Cn1c(=O)n(CC(=O)Nc2nc3ccccc3[nH]2)c2ccccc21 14232156 NJADPJUADJSMGO-UHFFFAOYSA-N 321.340 1.855 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 4680694 HYAZMULUEGCCJM-UHFFFAOYSA-N 301.364 1.173 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(S)N2c1ccc(Cl)c(F)c1 6645632 KCTMITDFTJLJCY-VHSXEESVSA-N 320.798 1.751 0 40 DDAB Cc1n[nH]cc1CNC[C@H](c1ccccc1)N1CCOCC1 97159471 YRKYAGSMMPVREB-QGZVFWFLSA-N 300.406 1.881 0 40 DDAB CCn1c(CNC(=O)c2ccc3c(c2)CCO3)n[nH]c1=S 66636189 IQMGKPPCFJKFMW-UHFFFAOYSA-N 304.375 1.825 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 5878877 OVRRZQYWFCKUJZ-UHFFFAOYSA-N 300.723 1.395 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(F)c(C(N)=O)c1 68544353 QWGFQTOYCGFQTN-BDAKNGLRSA-N 324.356 1.349 0 40 DDAB Cc1ccc(/C=C/C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)o1 68742120 HUNAVSYHDWDPNS-KTRBRXNASA-N 309.387 1.779 0 40 DDAB Cc1cc(Nc2ccn(Cc3ccccn3)n2)n2ncnc2n1 68904874 PSVLOZJEXFGNBO-UHFFFAOYSA-N 306.333 1.816 0 40 DDAB O=C(c1cn[nH]n1)N1CCN(Cc2c(F)cccc2Cl)CC1 71819780 WTQWQUWECDATBL-UHFFFAOYSA-N 323.759 1.555 0 40 DDAB COc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1 8276797 ILZQCTBYEKMWAM-UHFFFAOYSA-N 314.341 1.984 0 40 DDAB CCOC(=O)CN[C@](C)(C(=O)OC)c1cc(F)ccc1F 70040732 QCDVBRCTAIMRQM-AWEZNQCLSA-N 301.289 1.506 0 40 DDAB COC(=O)c1ccc(CS(=O)(=O)NCc2cccnc2)cc1 19931422 SBPYSSFVNHOYGK-UHFFFAOYSA-N 320.370 1.488 0 40 DDAB CC[C@@](C)(NC(=O)C1=NO[C@@H](c2ccccc2)C1)C(=O)OC 69322928 YOZKVCPVVGAGGZ-CZUORRHYSA-N 304.346 1.962 0 40 DDAB COc1ccccc1[C@H](C)CNC(=O)CCCn1cncn1 69367351 ZLASZEVEGYLJDW-CYBMUJFWSA-N 302.378 1.987 0 40 DDAB COCCCOc1ccc(C(=O)NCCCN(C)C(C)C)cn1 69484487 XFNHYFLPHVEMAH-UHFFFAOYSA-N 323.437 1.957 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)NC1(c2ccccc2)CCC1 71907360 PSJDIYIEOQGXFN-OAHLLOKOSA-N 316.401 1.819 0 40 DDAB CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1n[nH]c(=O)[nH]1 91626814 WDJMCTOZZDKUGD-UHFFFAOYSA-N 321.356 1.476 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(Cc2noc(C3CC3)n2)CC1 69627885 UNXPNPGCHOZARN-CYBMUJFWSA-N 308.426 1.472 0 40 DDAB COc1cc(CN[C@H]2CCc3nc(C)nn3C2)cc2c1OCO2 69770487 UYROETMURWSTPI-LBPRGKRZSA-N 316.361 1.428 0 40 DDAB O=c1[nH]c(CCN2CCC[C@H]2Cn2cncn2)nc2ccccc12 69842293 DDLDSNXSJJYLDS-ZDUSSCGKSA-N 324.388 1.222 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)n1 69968236 QQOZJCSKVOLZKH-LBPRGKRZSA-N 305.407 1.961 0 40 DDAB COCCN1CCN(Cc2cn(-c3ccccc3)nn2)CC1 69925531 LYTVJPUNICBZKR-UHFFFAOYSA-N 301.394 1.031 0 40 DDAB CCSc1nnc(NC(=O)CCN2C(=O)CCC2=O)s1 8771617 VWRSUSLJVPGJCC-UHFFFAOYSA-N 314.392 1.128 0 40 DDAB Cc1csc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)n1 95428030 HUELZCHXADVILE-NSHDSACASA-N 320.436 1.316 0 40 DDAB CCCCn1nc(C(=O)NCC(C)(C)CCOC)ccc1=O 95940108 SARLHIAEUDJQJW-UHFFFAOYSA-N 309.410 1.836 0 40 DDAB CCc1nnc(CN2CCC[C@H](c3ccnc(COC)n3)C2)o1 89296257 JTWMYQNAMXIMES-LBPRGKRZSA-N 317.393 1.948 0 40 DDAB CCOc1ccccc1OCC(=O)N[C@H](CC(=O)O)C1CC1 89272139 IXZLAZWJAAFNSX-GFCCVEGCSA-N 307.346 1.834 0 40 DDAB Cc1cc(N2CCc3cnc(C(C)C)nc3C2)n2ncnc2n1 75605949 JHWZWLSZCSEXEX-UHFFFAOYSA-N 309.377 1.909 0 40 DDAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 76020457 OSGZHLNUHFVGQF-UKRRQHHQSA-N 304.390 1.909 0 40 DDAB CC(=O)Nc1nc2c(s1)COC[C@@]21CCN(C(=O)C(C)C)C1 306135093 OHQHMRAJUJJUPI-HNNXBMFYSA-N 323.418 1.758 0 40 DDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1 67896941 GDMXXJMGWAUBLD-GDBMZVCRSA-N 318.373 1.316 0 40 DDAB biogenic,in-vitro CC[C@@H](C)NC(=O)c1ccc(N2C(=O)[C@H](C)NC2=S)cc1 67256093 XQICSFRRIUDDIC-ZJUUUORDSA-N 305.403 1.825 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cn(Cc2ccc(F)cc2)nn1 67264150 XHDRHWZUGHGFCI-CYBMUJFWSA-N 304.325 1.374 0 40 DDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)C(=O)C[C@H](O)[C@@H]12 123375887 GHXUJRWLHYZTGE-SWRZFWPCSA-N 322.445 1.901 0 40 DDAB Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2cccnc2)n1 35426033 CVGUAUZGYDZMLH-ZDUSSCGKSA-N 323.360 1.841 0 40 DDAB biogenic,in-vitro Cn1nccc1CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 78602990 QBDVCTCIMIQVIO-ZDUSSCGKSA-N 322.434 1.128 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241689 XJXLNJBDKBIZRM-LSDHHAIUSA-N 308.353 1.592 0 40 DDAB Cc1ccc(C)c(OCC(=O)NCC(C)(C)N2CCOCC2)c1 33026671 AOQUVJJHFFJJQL-UHFFFAOYSA-N 320.433 1.909 0 40 DDAB CC(C)NC(=O)c1nc(CC(=O)NCc2ccccc2)no1 36365289 AIKSHPQVXFJPSB-UHFFFAOYSA-N 302.334 1.067 0 40 DDAB Cc1cc(O)cc(=O)n1CCn1c([C@@H](C)O)nc2ccccc21 1547200962 PWSKXQJKVZLHGK-GFCCVEGCSA-N 313.357 1.966 0 40 DDAB O=C1C[C@@H](NC(=O)C2c3ccccc3Oc3ccccc32)CN1 70640667 JEBQDDGMJQTUIB-LLVKDONJSA-N 308.337 1.929 0 40 DDAB Cc1cc(CCC(=O)NC(C)(C)CO)nc([C@H]2CCCN2C)n1 72366898 VJDKFOSAPYXHLD-CQSZACIVSA-N 320.437 1.371 0 40 DDAB C[C@@]1(NC(=O)/C=C/c2ccc3c(c2)OCO3)CCS(=O)(=O)C1 37077245 RXOWFCYXOJMARN-SJDLMVEWSA-N 323.370 1.122 0 40 DDAB C[C@H]1CN(C(=O)CC[C@@H]2CCCCN2C)C[C@@H](C)S1(=O)=O 568341318 VUGREYBBQBDZCC-MJBXVCDLSA-N 316.467 1.285 0 40 DDAB Cc1ccc2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)n2c1 71476858 MIZWSYGCXRAUKZ-UHFFFAOYSA-N 300.362 1.289 0 40 DDAB C[C@H](NC1(CNS(C)(=O)=O)CCOCC1)c1ccccc1 79098006 BPRFJPPZWNGWCR-ZDUSSCGKSA-N 312.435 1.436 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1cccnc1 49543631 OQBRTXBHBGVAPJ-ZDUSSCGKSA-N 310.313 1.810 0 40 DDAB biogenic Cc1cc(C)n(CCCNc2ncnc3c2NC(=O)CN3)n1 41124008 ADILSLVGKYYTLY-UHFFFAOYSA-N 301.354 1.156 0 40 DDAB NC[C@@H]1CCN(Cc2ccc(Br)cc2)S1(=O)=O 222538226 VXTQNKVQTQQBRN-NSHDSACASA-N 319.224 1.312 0 40 DDAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)[nH]1 223564528 XCGINBHUFOCBSH-HUUCEWRRSA-N 316.430 1.991 0 40 DDAB COCCNC(=S)NC1CCN(Cc2cccs2)CC1 225231141 SBDQTOQABDJONE-UHFFFAOYSA-N 313.492 1.823 0 40 DDAB COc1cccc(OC)c1C(=O)NCCSc1nc(C)n[nH]1 222956472 UTIINQDOEYOGGK-UHFFFAOYSA-N 322.390 1.652 0 40 DDAB CC(C)S(=O)(=O)N(C)C(=O)c1ccc(-n2cccn2)cc1 83773593 ZQAKHFFTLWMEBK-UHFFFAOYSA-N 307.375 1.683 0 40 DDAB O=S1(=O)CCN(C2CCN(C[C@H]3CC=CCC3)CC2)CC1 190990038 VOHWWYDNYBEYEF-HNNXBMFYSA-N 312.479 1.538 0 40 DDAB C[C@H](C(=O)N[C@H](CCO)c1ccccc1)N1CCSCC1 95445593 XCPLSWIHAXGRCC-UKRRQHHQSA-N 308.447 1.664 0 40 DDAB CCS(=O)(=O)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 96226238 JZXMUPLUXZJFEN-MRXNPFEDSA-N 324.446 1.708 0 40 DDAB O=C(C[C@]12COC[C@H]1CN(CC1CCCC1)C2)N1CCOCC1 96205830 WKMXSLIGKPJCEF-AEFFLSMTSA-N 322.449 1.374 0 40 DDAB Cc1nncn1CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 96445349 DWLQVNGQXJGEPA-QWRGUYRKSA-N 306.316 1.785 0 40 DDAB O=C(O)[C@H]1C[C@@H](N2CCCC2)CCN1C(=O)c1cccs1 96069037 BQVFOFJCTIIIGL-NWDGAFQWSA-N 308.403 1.902 0 40 DDAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCOCC1)C2 96056875 GBDNKCDHBKDPLT-WBVHZDCISA-N 311.422 1.847 0 40 DDAB COC[C@H]1c2nnn(C)c2CCN1C(=O)c1ccc(C)s1 96198469 NXMTVOURDCITQD-NSHDSACASA-N 306.391 1.571 0 40 DDAB CCn1ncc2c1[C@@H](COC)CN(C(=O)c1ccccn1)C2 96198333 LQZWAIKNJHTVBV-CYBMUJFWSA-N 300.362 1.684 0 40 DDAB CNC(=O)[C@H]1CCCN1C(=O)/C=C(\C)c1ccc(OC)cc1 98018621 INSLARWOHAHMHB-AYJWMTRPSA-N 302.374 1.836 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96042755 OLYKABWJGJVOKV-NUEKZKHPSA-N 304.390 1.928 0 40 DDAB Cn1cc(CN2CCCn3c(nnc3Cn3cccc3)C2)cn1 96259641 XFHCECPWQXWIIK-UHFFFAOYSA-N 311.393 1.267 0 40 DDAB c1cc(NC2CCC2)nc([C@@H]2COCCN2C2CCOCC2)n1 96219535 JCKPVOVWGMJCKX-HNNXBMFYSA-N 318.421 1.993 0 40 DDAB Cn1ccnc1CN1CCc2onc(COCC3CC3)c2C1 96085094 RAWMETAQLNGQIH-UHFFFAOYSA-N 302.378 1.893 0 40 DDAB CCOC(=O)[C@@H](C)OCCNC(=O)c1ccccc1C(=O)O 96029645 JUGIRZWQNKYYCG-SNVBAGLBSA-N 309.318 1.083 0 40 DDAB c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 96047726 MBSBCQFCOBOGPW-RDJZCZTQSA-N 311.389 1.717 0 40 DDAB CCOC[C@@H]1CCN(C)C2(C1)CN(c1cc(N(C)C)ncn1)C2 248136158 RTMROSCXFFRXPM-CQSZACIVSA-N 319.453 1.480 0 40 DDAB C[C@H](CN1CCCCCC1)NC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 249589319 OVNZCTJFHXEKPA-DYSFYUKASA-N 321.465 1.662 0 40 DDAB Cc1cncc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257218943 DEYYHCNOHNNFMU-CYBMUJFWSA-N 302.378 1.113 0 40 DDAB CC(C)C(=O)N1CCC[C@H](Cc2cc(C(=O)N(C)C)ncn2)C1 257298267 RKZCKVZIAJZNKU-CYBMUJFWSA-N 318.421 1.616 0 40 DDAB O=S(=O)(c1ccccc1F)N1CCO[C@H](c2cnccn2)C1 257266828 MERTWXJNKJMLFI-ZDUSSCGKSA-N 323.349 1.378 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 257291621 QHWSNXNAOFWCRF-VNHYZAJKSA-N 324.388 1.254 0 40 DDAB CNc1cncc(C[C@@H]2COCCN(Cc3cccnc3)C2)n1 257330146 XNBROEPCXVMGOQ-HNNXBMFYSA-N 313.405 1.604 0 40 DDAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21 257237201 HFOBYOMVZJUZSN-BZUAXINKSA-N 310.401 1.970 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2coc(C)n2)C1 257289617 PZLGFPFOPGVCRZ-GFCCVEGCSA-N 315.377 1.910 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cnc(C(C)C)nc2)[C@H]1O 257267493 MHNHYRQZDVDTEJ-MGPQQGTHSA-N 307.394 1.648 0 40 DDAB Cc1ncccc1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257232685 GLYDRXQFLLHQBG-GJZGRUSLSA-N 300.362 1.425 0 40 DDAB O=C(c1ccc2c(c1)CCCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 257249111 JGWBGNIJSXCEPX-QZTJIDSGSA-N 314.429 1.847 0 40 DDAB CO[C@H](CN)CC(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 262809178 FUNLDHPXJNUWDB-ZOBUZTSGSA-N 306.406 1.695 0 40 DDAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(-n2cncn2)nn1 96097889 DGPPRMUQNHLATN-AWEZNQCLSA-N 320.356 1.865 0 40 DDAB Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)c2c1CCOC2 96103976 SZFGMGJFWBZPJR-UHFFFAOYSA-N 315.329 1.152 0 40 DDAB Cn1cc(CN2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)cn1 585280059 XKWXTDPAYAEGKE-NVXWUHKLSA-N 303.381 1.985 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CC[C@@H]2CCCO2)CC1 69770343 SHZLBJXXMAEOMH-LSDHHAIUSA-N 312.454 1.497 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)c(=O)[nH]1 75120128 LLMSMCQIQDQUBY-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB CCC[C@@H](C)N1C[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 77506310 JPHAJNCDFQPVJT-NEPJUHHUSA-N 314.389 1.960 0 40 DDAB CNS(=O)(=O)CC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 83597663 NYUIVGPBRAMIKA-UHFFFAOYSA-N 312.435 1.492 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc(C)on2)cc1 97164209 FPBPJVNYBPPGLW-NSHDSACASA-N 322.386 1.884 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1csnn1 97378971 GIJHSXIROIXZRS-YPMHNXCESA-N 302.403 1.788 0 40 DDAB Cc1nc(S(=O)(=O)Nc2ccc(Cl)cc2O)cn1C 95971192 WMJAKLUHYWIDCI-UHFFFAOYSA-N 301.755 1.888 0 40 DDAB CS(=O)(=O)N1CCN(Cc2ccc(Cl)c(F)c2)CC1 95982359 VWEQKLJHFPUMAB-UHFFFAOYSA-N 306.790 1.556 0 40 DDAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2S(C)(=O)=O)cc1 12085390 VBDMHRJWICNVNA-TYNCELHUSA-N 311.403 1.887 0 40 DDAB CC[C@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)OC 12860447 FQUZRVYVEYLLHM-HZMBPMFUSA-N 322.361 1.802 0 40 DDAB biogenic Cc1nn(C)cc1CNC(=O)C(=O)Nc1cccc2ncccc12 13629587 RHGAIROKONDMSB-UHFFFAOYSA-N 323.356 1.532 0 40 DDAB Cc1ncsc1-c1nnc(CNC(=O)c2ccncc2)o1 19563313 LZMYLOFNCZFRKZ-UHFFFAOYSA-N 301.331 1.827 0 40 DDAB CN(C)c1ccc(CCNC(=O)c2nc3ncccn3n2)cc1 19657214 RYLQDEQYVWQNFN-UHFFFAOYSA-N 310.361 1.163 0 40 DDAB Cn1cnc(S(=O)(=O)NC[C@@H]2CCCN2c2ccccc2)c1 207993785 UZQQBCRWBLNHPX-AWEZNQCLSA-N 320.418 1.367 0 40 DDAB CCCn1c(SCc2cc(=O)n3ccsc3n2)n[nH]c1=O 6888290 QPPZMZIUHHVSDP-UHFFFAOYSA-N 323.403 1.343 0 40 DDAB O=C1NCCC[C@@H]1N1CCC(Oc2ncc(Cl)cn2)CC1 1888834145 UDODMHVKNQYZJC-LBPRGKRZSA-N 310.785 1.252 0 40 DDAB Cc1cnn(CC2CN(C(=O)c3ccc4nccnc4c3)C2)c1 1848628068 VLOUBHKDGLGCTB-UHFFFAOYSA-N 307.357 1.907 0 40 DDAB CN1C[C@@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)COCC1=O 2037985531 MUTYPKOBWSGERK-QGZVFWFLSA-N 320.364 1.076 0 40 DDAB CC(C)/C=C/C(=O)N1C[C@H]2CCN(CC(=O)N(C)C)CC[C@H]2C1 2056223284 CUQUTMCVWFSELY-AXHPFZFWSA-N 321.465 1.457 0 40 DDAB COc1ncnc2c1CCN(C(=O)c1ncnc(C)c1C)CC2 1565542402 VHFJUBHCSLYAOL-UHFFFAOYSA-N 313.361 1.133 0 40 DDAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCOCC1 422434 XPPLSYKDWOAJAT-UHFFFAOYSA-N 319.386 1.611 0 40 DDAB Cc1ccnc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086887021 QKJGKGKGCGQGIE-LBPRGKRZSA-N 310.423 1.178 0 40 DDAB COc1ccc(-c2noc(CN3CCCC[C@H]3C(N)=O)n2)cc1 40465864 LZJIDFROPBGTDJ-ZDUSSCGKSA-N 316.361 1.585 0 40 DDAB COc1cccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c1 40481297 JVDWXMRJBHOFSN-CMDGGOBGSA-N 312.373 1.905 0 40 DDAB Cc1cc(C)n(CC(=O)NCc2ccc(N3CCCC3)nc2)n1 40497930 ZMLBEOCTNNDJQD-UHFFFAOYSA-N 313.405 1.812 0 40 DDAB Cc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1 20503063 LJFNJIFRBZFVFT-UHFFFAOYSA-N 313.401 1.995 0 40 DDAB Cc1noc(C)c1CN1CCCC[C@H]1CCNS(C)(=O)=O 52134387 QYISAIYQIMOVTI-ZDUSSCGKSA-N 315.439 1.585 0 40 DDAB O=C(CCc1nc(-c2cccs2)no1)NC1=NCCS1 32768068 ISHAKQAQLVQPIA-UHFFFAOYSA-N 308.388 1.950 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)n3cnnc3N2)cc1Cl 538727 QSZDXIMAVXHCNZ-JTQLQIEISA-N 305.725 1.703 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 37376993 PTCICRHGHSRZJN-UHFFFAOYSA-N 301.339 1.619 0 40 DDAB CN(Cc1ccccc1)C(=O)CN(C)c1ncnc2nc[nH]c12 47402692 GUDNPOQTUZVGCE-UHFFFAOYSA-N 310.361 1.448 0 40 DDAB CC(=O)N[C@H]1CCCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 76709317 QKZMUTLIDIBFCT-FYAIKVRKSA-N 309.454 1.670 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCc1ccco1 42091288 VBRBDKPXUQOMDD-UHFFFAOYSA-N 324.340 1.592 0 40 DDAB COc1nc(=O)n([C@H]2CCCO2)cc1I 1868215 TURUCRGGIUKFGF-SSDOTTSWSA-N 322.102 1.166 0 40 DDAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2N)cc1 3486536 UXYCYYHZOCQBTJ-UHFFFAOYSA-N 305.363 1.234 0 40 DDAB CCOC(=O)N1CCN(Cc2nc(-c3cccnc3)no2)CC1 54218329 PDKMKNDEIZCTQS-UHFFFAOYSA-N 317.349 1.406 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)[C@H]1COc2ccc(Cl)cc2C1 42478624 YXLIRQBBSMHRKG-DGCLKSJQSA-N 322.792 1.676 0 40 DDAB Nc1nccnc1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 85481285 UDAFFXNEBAXQBW-CYBMUJFWSA-N 310.357 1.936 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)Cc1ccc2c(c1)OCCO2 42535510 KBSQYCPDLRQATO-GFCCVEGCSA-N 301.346 1.402 0 40 DDAB O=C1C[C@H](C(=O)N2[C@@H]3CC[C@@H]2COC3)CN1c1ccc(F)cc1 101466956 YMZSNMIZDCJLHY-NILFDRSVSA-N 318.348 1.568 0 40 DDAB Cc1c(C(=O)N(CCC(N)=O)Cc2ccccc2)cnn1C 54709248 AMGLIUFMEMEKGZ-UHFFFAOYSA-N 300.362 1.246 0 40 DDAB Cc1cc(C(=O)OCCN2CCCC2=O)c2c(C)noc2n1 54843223 STWBTOCOPPZUNH-UHFFFAOYSA-N 303.318 1.619 0 40 DDAB CC(=O)N1CCN(c2ccc(-n3cnnc3)cc2Cl)CC1 57332403 KXYMDQOCUVPUMJ-UHFFFAOYSA-N 305.769 1.589 0 40 DDAB Cc1cc(NC(=O)NCc2ccc3c(c2)OCCO3)n(C)n1 43433292 GKLOINCLHQBWON-UHFFFAOYSA-N 302.334 1.821 0 40 DDAB C[C@@H]1CN(CCC(=O)N2CCOCC2)[C@@H](c2ccccc2)CO1 107064593 XZQWAYXZGQUZIC-NVXWUHKLSA-N 318.417 1.697 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 43688529 ZBKJIZSIYBFYIE-HNNXBMFYSA-N 321.340 1.224 0 40 DDAB O=C(CN1CCN(c2cnccn2)CC1)c1c[nH]c2ccccc12 26170831 MVMQSPVPDNXSIC-UHFFFAOYSA-N 321.384 1.963 0 40 DDAB c1cc(CN2CCN(Cc3nnnn3C3CC3)CC2)cs1 44072966 BRQYOAXKHGTUGP-UHFFFAOYSA-N 304.423 1.387 0 40 DDAB CN1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1=O 44265345 REXLJKIQBJMFEF-HZPDHXFCSA-N 315.417 1.246 0 40 DDAB CCc1nnnn1CC(=O)Nc1ccc(N2CCCC2)cc1C 48290108 FHIHJQPGMUUPPO-UHFFFAOYSA-N 314.393 1.783 0 40 DDAB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100377048 KAXCZSAKZGTKSB-BHTHQVBYSA-N 319.744 1.535 0 40 DDAB Cc1ccc(NC(=O)CN(C)CC(=O)NCc2ccco2)cc1 12752255 KXRVTFWDYPQQOL-UHFFFAOYSA-N 315.373 1.775 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 44975121 KFQICCLTELLHJH-AAEUAGOBSA-N 320.393 1.331 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NCC2CCC2)cc1 44954116 LPNDUKXXMYHLGS-UHFFFAOYSA-N 311.407 1.194 0 40 DDAB CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NC)cc1 44909319 DQEOFYQHEKUJNI-UHFFFAOYSA-N 322.386 1.850 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCSCC2)[C@H]1c1ccccc1 57355870 WSJQCUMHGXPGOO-CABCVRRESA-N 320.414 1.160 0 40 DDAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)[C@H]1CCCO1 27869892 TYRCVKPTFMAEEJ-MWLCHTKSSA-N 307.375 1.142 0 40 DDAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108532302 DQYDOOKSKCJIIO-IRXDYDNUSA-N 304.438 1.414 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C1 28037496 ZTTRKJZAVMDSDY-GFCCVEGCSA-N 322.434 1.971 0 40 DDAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](C)N2 2408795 GFVGPYKCRJWINW-JQWIXIFHSA-N 301.350 1.657 0 40 DDAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C(C)C)N(C)C)C1 46194712 UNOJEIJJWGAPDC-GJZGRUSLSA-N 311.470 1.583 0 40 DDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CC3)C2=O)cc1 3461573 UXDIIKJVPYSKGS-MRXNPFEDSA-N 301.346 1.041 0 40 DDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cn1 3467273 YCMASMIGDDBSQS-UHFFFAOYSA-N 306.709 1.629 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 21559375 HYUBFJISIJYPGP-LBPRGKRZSA-N 322.336 1.430 0 40 DDAB CONC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 63727156 QWOSFGBXDNAEJU-SNVBAGLBSA-N 314.288 1.570 0 40 DDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCSCC1 64337078 ISCVRQOEKGNMBF-UHFFFAOYSA-N 320.418 1.560 0 40 DDAB CN(C(=O)[C@@H](CC(=O)O)NCc1ccco1)c1ccccc1 5024277 VDVCXXAPNWWKIR-CQSZACIVSA-N 302.330 1.876 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccco2)[nH]n1 65396404 TXQMMRSAAAEGKZ-LLVKDONJSA-N 304.350 1.120 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24909322 DKMUNQGICYHCBH-SNVBAGLBSA-N 304.346 1.683 0 40 DDAB COC(=O)CNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC 6562958 LQXLMTTVUBVGQP-UHFFFAOYSA-N 314.725 1.210 0 40 DDAB CC(C)NC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6672628 GXUAOMIXMWIMMN-NSHDSACASA-N 315.377 1.479 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c(C)c1C 4744841 JQSHWXFVRLAWKQ-UHFFFAOYSA-N 324.446 1.806 0 40 DDAB C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)NC(N)=O 4885578 SOEKLKQFNBQEDJ-SFYZADRCSA-N 310.375 1.613 0 40 DDAB CN(C)C(=O)CN(C)c1nc(-c2ccncc2)nc2c1CCC2 66796568 WOIXOTRBMIICPC-UHFFFAOYSA-N 311.389 1.552 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)cc2)n2nnnc2N1 15080065 ZTEVICYNQIKUFU-CYBMUJFWSA-N 315.333 1.619 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(C)C)c1C 9458000 XNIBGHUDBBSQKF-SNVBAGLBSA-N 310.350 1.488 0 40 DDAB C[C@H](OC(=O)c1cc(Br)ccc1O)C(=O)N(C)C 6988201 ZMRCRXTZIHGSCY-ZETCQYMHSA-N 316.151 1.788 0 40 DDAB O=C(Cn1cnnn1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 9466588 KVWSAFAGOFWPPF-UHFFFAOYSA-N 319.328 1.855 0 40 DDAB CCCn1c(SCC(=O)N[C@H](C)c2ccccc2)n[nH]c1=O 5966069 ROGQZAFSSNUFHK-LLVKDONJSA-N 320.418 1.951 0 40 DDAB C[C@H]1CCCN(CCNC(=O)c2cc3c([nH]c2=O)CCC3)C1 84697515 MFBXXDYTHOPTIV-LBPRGKRZSA-N 303.406 1.325 0 40 DDAB COc1cccc2[nH]cc(CCNC(=O)N3CC[C@H](CO)C3)c12 96499867 DSEZTCNWIGWNTG-LBPRGKRZSA-N 317.389 1.743 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@H](C)[C@H]1CCOC1 96484433 FHACZKDXOQPCID-NEPJUHHUSA-N 308.426 1.769 0 40 DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C1CC1 83753888 LAKYYJTVYKMVPZ-OXMIEMGYSA-N 302.440 1.136 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)O)C[C@@H](C)O1 15996637 ZJOGADBZWGFYOX-YRGRVCCFSA-N 306.362 1.501 0 40 DDAB CCO[C@@H]1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 71825573 ZMVSJYAXQCMABG-CYBMUJFWSA-N 315.373 1.424 0 40 DDAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC(O)=NC1=O 64219698 FUNIGUBTZIWFLM-RKDXNWHRSA-N 314.338 1.478 0 40 DDAB CC[C@H]1CN(C(=O)CNc2ccn(-c3ccccc3)n2)CCO1 71830886 VZGWXPIHYAGIIV-HNNXBMFYSA-N 314.389 1.922 0 40 DDAB CCOc1ccc(NC(=O)NCCS(=O)(=O)CC)cc1C 69657983 WAJDHAXXLPIYOC-UHFFFAOYSA-N 314.407 1.950 0 40 DDAB CCN1CCCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 69808997 GZQYUYUNFWTIHG-UHFFFAOYSA-N 318.377 1.816 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCCCO)c(Br)c1 42646286 ZZIKVHHTJHVDOT-UHFFFAOYSA-N 315.167 1.195 0 40 DDAB COCC(=O)N1CC[C@]2(c3ccccc3)CCN(C)C(=O)C[C@H]12 306132181 LAXGJGKJYYFJQG-YJBOKZPZSA-N 316.401 1.424 0 40 DDAB C[C@](O)(CNS(=O)(=O)CC1CCOCC1)c1cccs1 95461907 VEXHRCTYPLMXCU-ZDUSSCGKSA-N 319.448 1.302 0 40 DDAB Cc1cc(NC(=O)CN(C)CCNC(=O)C2CCCC2)no1 84119923 CFEOWVIPXSXNCC-UHFFFAOYSA-N 308.382 1.160 0 40 DDAB CC(C)[C@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCCCC1 72273711 RUQBTRQUVJVNLH-GDBMZVCRSA-N 304.438 1.825 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)no1 72232136 ZMSCKKIZHHEDSF-VXGBXAGGSA-N 309.366 1.314 0 40 DDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(C)cc(C)n1 97114338 CJQABTPCQHEQRT-UHFFFAOYSA-N 323.422 1.753 0 40 DDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccccn1 72401853 ITRUAFATZVFCLP-UHFFFAOYSA-N 310.313 1.444 0 40 DDAB COC[C@@H](C)N1CCN(c2nc(N)c3ccccc3n2)CC1 95978516 BGYHXQPXYSIRHD-GFCCVEGCSA-N 301.394 1.369 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NC(C)(C)C 9970118 MHACOCAKFANQFF-NSHDSACASA-N 300.399 1.385 0 40 DDAB O=C(Nc1cccc(Cl)c1)C(=O)N1CCC2(CC1)OCCO2 9910318 PEKFXAAVQISWKC-UHFFFAOYSA-N 324.764 1.644 0 40 DDAB C[C@H](NC(=O)CN1CCSC[C@@H]1CCO)c1ccccc1 75110903 QOLSGFLXGCIKMX-ZFWWWQNUSA-N 308.447 1.664 0 40 DDAB O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@@H](O)c1ccccc1 89825781 YQJDPWCOFQRACH-HOTGVXAUSA-N 316.401 1.627 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)N[C@@H](C)Cn2cccn2)cc1 89904369 ARUILTSVCNZIIX-WFASDCNBSA-N 318.377 1.313 0 40 DDAB CC(C)C(=O)N1CC[C@H](N[C@H](C(N)=O)c2ccccc2)[C@H](C)C1 76056960 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85397879 JDSICGYUTSAWPL-UHFFFAOYSA-N 306.123 1.059 0 40 DDAB O=S(=O)(CCCc1nc(-c2ccccc2)no1)c1ncc[nH]1 195579517 WDINXRWMCNUWTI-UHFFFAOYSA-N 318.358 1.866 0 40 DDAB C[C@@H]1CN(C(=O)c2cncc(O)c2)CCN1CC(F)(F)F 96486090 RHUDAJPIZYAHMQ-SECBINFHSA-N 303.284 1.496 0 40 DDAB CN(C)c1cccc([C@@H]2CCCN2C(=O)[C@@H]2COCCO2)c1 96410193 NBAIZHADLNDJGQ-HOTGVXAUSA-N 304.390 1.832 0 40 DDAB CN(C)CCO[C@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 96057457 LEIIOBVFEWFWDY-IKGGRYGDSA-N 305.422 1.392 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)CC(=O)N2C)cc1 96181293 XFKPGLAADXEWKE-GDBMZVCRSA-N 302.374 1.373 0 40 DDAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C)C[C@H]3F)nc2c1 96112375 AAUPUQNYBGEFSE-MFKMUULPSA-N 307.325 1.518 0 40 DDAB biogenic,in-vitro CCc1nnc2n1C[C@H](NCc1ccc(-n3cncn3)cc1)CC2 97199576 RLSZIUVAOOJKCT-CQSZACIVSA-N 323.404 1.526 0 40 DDAB CS[C@@H](CO)[C@@H](C)NC(=O)Cc1ccc(-n2cccn2)cc1 96481358 CDKUEQMIXRZCCW-DOMZBBRYSA-N 319.430 1.643 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96219236 FJFWYYUUXGVLKH-LRDDRELGSA-N 322.384 1.984 0 40 DDAB CN(C)CCn1c2c(ccc1=O)C[C@H](Nc1ncccn1)CC2 96067606 PHOKHRBRZGDNLT-CQSZACIVSA-N 313.405 1.169 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96054158 HXMWKSDZMCZRLF-HUUCEWRRSA-N 323.400 1.466 0 40 DDAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CC2)n1 96184771 SXGIPQLTYGGMLT-JKSUJKDBSA-N 300.406 1.911 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(Cc3cccnc3)CCO2)C1 96049736 YUYRUXNAYWQMHP-QGZVFWFLSA-N 305.422 1.393 0 40 DDAB c1cnc(N2CCC[C@]3(C2)CN(c2nccs2)CCO3)nc1 96074816 PCVFYZURTWMXGM-HNNXBMFYSA-N 317.418 1.809 0 40 DDAB CS(=O)(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 247548117 VDEJACYCGZINTI-LBPRGKRZSA-N 314.432 1.118 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cnco3)CCO2)ncn1 257244568 ILXLWHOPEDOGNV-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)[C@H]3OC[C@@H](O3)[C@H]12 253588210 PGHKUIMAONOIHP-QEGBUVANSA-N 323.142 1.818 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ncoc2C)n1 257338638 YYGZJZDNLMXYFL-LLVKDONJSA-N 317.349 1.337 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3cn(C)nc3C)CCO2)ccn1 257337550 YTGMPQBVRMQCIR-OAHLLOKOSA-N 300.362 1.646 0 40 DDAB CNc1cc([C@@H]2CCCN2CC(=O)N2CCCCC2)nc(C)n1 257212193 CCHWAMKWUAMJKF-HNNXBMFYSA-N 317.437 1.976 0 40 DDAB O=C(COc1cccc(F)c1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257213289 CGXVOLFLLIABDX-BFYDXBDKSA-N 322.380 1.308 0 40 DDAB Cn1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 25343201 LPVLQKQMVKDYDB-CYBMUJFWSA-N 314.345 1.790 0 40 DDAB COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1C 96366450 PLLQKIGLOMUIIE-UHFFFAOYSA-N 305.359 1.498 0 40 DDAB Cc1cc(C(=O)N2CCOCC2)ccc1NCC1(C)COC1 571778005 OSQRVABMDKJQIH-UHFFFAOYSA-N 304.390 1.916 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)[C@H]1C[C@H]1C)CC2 585096505 RAUYHYYFFQKGTP-WOPDTQHZSA-N 304.394 1.581 0 40 DDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)c3cccs3)C[C@H]12 585109081 SNNDYNAONNWJJQ-WDEREUQCSA-N 319.386 1.244 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)[nH]c2ccc(F)cc12 585183781 AEVAUVISKVRZNB-UMVBOHGHSA-N 306.337 1.620 0 40 DDAB Cc1cncc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)c1 585093455 XPOYSGKCPRVMIQ-AWEZNQCLSA-N 309.316 1.378 0 40 DDAB C[C@H]1C[C@H]2NC(=O)C[C@H]2[C@@H]1CNS(=O)(=O)Cc1ccccc1 1775964286 AQLKUIMOLNKONL-SPWCGHHHSA-N 322.430 1.267 0 40 DDAB biogenic,in-vitro O=c1oc2ccccc2n1CN1CCN(c2ncccn2)CC1 57383225 RZHQAZMHYWNMLR-UHFFFAOYSA-N 311.345 1.164 0 40 DDAB Cc1n[nH]c(C)c1CNCc1cccc(OCC(=O)N(C)C)c1 97159163 AMOVHAGUWSHRTO-UHFFFAOYSA-N 316.405 1.783 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1Cc1ccc(-n2cccn2)nc1 97232023 MYUKLAXYZZLIQM-CYBMUJFWSA-N 311.345 1.584 0 40 DDAB CS(=O)(=O)CCNC(=O)NCCc1cc2ccccc2o1 76018932 LUXYQQCVHWGMGE-UHFFFAOYSA-N 310.375 1.319 0 40 DDAB COCc1nccc([C@@H]2CCCN(Cc3nnc(C)o3)C2)n1 89736353 DPEXCNULYPTLMW-GFCCVEGCSA-N 303.366 1.694 0 40 DDAB CCN(CC)C(=O)[C@H](C)N1CCC[C@H](Cc2nccn2C)C1 90004501 KQMZNCHAORTNLK-LSDHHAIUSA-N 306.454 1.932 0 40 DDAB O=C(c1cnc(O)[nH]1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 585342912 DINDCWILRUSZEU-VIFPVBQESA-N 323.740 1.242 0 40 DDAB CN1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 103458315 JCYLROJRLSLJSO-UHFFFAOYSA-N 306.391 1.013 0 40 DDAB CSc1nnc(CCNC(=O)NCc2ccccc2)n1C 5001748 ZBUXHBSBOSYJPC-UHFFFAOYSA-N 305.407 1.579 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1cccc(OC)c1)OCC 5184157 OHJJKDNQHWTRAZ-UHFFFAOYSA-N 310.350 1.149 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 13141455 OQMQURPQTOHBEW-GJZGRUSLSA-N 312.369 1.562 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 14106062 VDNSUJIUOCPMHA-UHFFFAOYSA-N 318.345 1.575 0 40 DDAB Cc1ncc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C2)cn1 19287264 MUSCTHXPZIMTKN-JZXOWHBKSA-N 310.401 1.910 0 40 DDAB Cc1cc(OC2CN(C(=O)NCc3cccs3)C2)cc(=O)o1 206961270 KZSYMJDLKPZNEJ-UHFFFAOYSA-N 320.370 1.983 0 40 DDAB C[C@](O)(CCc1ccccc1)CNC(=O)NC1CCOCC1 225553224 DLCICTFDKGWGMZ-KRWDZBQOSA-N 306.406 1.848 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Oc2cnccn2)C1 225792230 KSHKWXFJLDLSAF-CYBMUJFWSA-N 316.361 1.694 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H](NC[C@@H]1CCCO1)C(=O)O 4279955 KKJFHANHEJFZNG-GXTWGEPZSA-N 306.362 1.545 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2cccs2)N1 12346792 ZCJPXBXNOSOBMI-ZANVPECISA-N 319.386 1.377 0 40 DDAB O=C(Cc1cccs1)NCc1nc(C2CCOCC2)no1 575607877 QAQKKNWZQOUTOO-UHFFFAOYSA-N 307.375 1.884 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@H]3C2)nn1 1888906817 IGBARBOUMDXWAG-VXGBXAGGSA-N 322.376 1.024 0 40 DDAB c1cnn(-c2ccc(N3CCN(c4nccs4)CC3)nn2)c1 1889138817 NZHQFFOYYSCEIW-UHFFFAOYSA-N 313.390 1.445 0 40 DDAB CNC(=O)C1=NO[C@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056225126 DCMCFIHHWQAICG-MRXNPFEDSA-N 323.343 1.822 0 40 DDAB Cc1cc(N2CC(Cn3ccnc3C(C)C)C2)n2ncnc2n1 2087139482 GPRFVCAPFPEELU-UHFFFAOYSA-N 311.393 1.889 0 40 DDAB COC1(CC(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)CCC1 1565549920 JOFHZWIVMWQOMZ-PBHICJAKSA-N 320.433 1.853 0 40 DDAB COCC(=O)Nc1ccc(-n2c(C)nc3ncccc3c2=O)cc1 7508633 RSGHGTNDJBKEAK-UHFFFAOYSA-N 324.340 1.674 0 40 DDAB CCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CCOC)cn1 2055745823 FAFBDXRFRPBZRH-IYBDPMFKSA-N 303.406 1.579 0 40 DDAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(C(=O)C2CC(F)C2)C1 2055759246 BXZKZRNMUXOFAL-ZUEPYMLJSA-N 322.384 1.037 0 40 DDAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585386679 HATHVFCSXUAHOY-TXEJJXNPSA-N 318.760 1.098 0 40 DDAB C[C@@H](NC(=O)COc1ccc(S(C)(=O)=O)cc1)c1ccco1 40464879 VCFUTPSBWRDYGZ-LLVKDONJSA-N 323.370 1.939 0 40 DDAB COC(=O)c1oc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1C 31608932 BJLIRLYRJFVTMA-AWEZNQCLSA-N 324.358 1.302 0 40 DDAB COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 100833717 IARBWFOJICOXTA-JXFSHQFZSA-N 319.744 1.799 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1OC 40501710 GPGKMBRESQJBCK-GHMZBOCLSA-N 315.391 1.502 0 40 DDAB COc1cccc(NC(=O)NC[C@@H](O)CN2CCCCC2)c1 40525333 DAFHWOGUEGQMBS-CQSZACIVSA-N 307.394 1.664 0 40 DDAB C[C@H]1NC(C(=O)NCc2ccccn2)=NN(c2ccccc2)C1=O 32646550 IGSWPDBUEHSKHV-GFCCVEGCSA-N 323.356 1.036 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2c(C)nc3ccccc32)CC1 41292400 XBENYVWTZIILPZ-UHFFFAOYSA-N 300.362 1.035 0 40 DDAB Cn1nnc(NC(=S)NC(=O)c2cc3ccccc3o2)n1 525412 XCMKFWXNKFFJGD-UHFFFAOYSA-N 302.319 1.083 0 40 DDAB CN(C)C1(CNC(=O)c2ccc3c(c2)OCC(=O)N3)CCCC1 41670873 AOCHKQHRMZGSMF-UHFFFAOYSA-N 317.389 1.622 0 40 DDAB CCNC(=O)Cn1nc(C)c2c(C(=O)OC)cc(C3CC3)nc21 12396369 MWBQSGVJSMAULI-UHFFFAOYSA-N 316.361 1.540 0 40 DDAB Cc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 47224202 VAOGDMLWBQQIIX-UHFFFAOYSA-N 304.371 1.975 0 40 DDAB CCc1n[nH]c(SCc2nnnn2Cc2ccccc2)n1 22543446 PWWLHXZYVOOLJE-UHFFFAOYSA-N 301.379 1.694 0 40 DDAB C[C@@H](O)CNC(=O)NCCOc1cccc2c1OC(C)(C)C2 47675596 GIRUXFGSXMMUNH-LLVKDONJSA-N 308.378 1.459 0 40 DDAB CC(C)n1nc(CC(=O)N=c2[nH]cc[nH]2)c2ccccc2c1=O 79501245 OTFMDKFYHCNHFR-UHFFFAOYSA-N 311.345 1.304 0 40 DDAB COCc1cc(C(=O)Nc2n[nH]c(-c3cccs3)n2)no1 79988614 HKDZCDXUUBFSSL-UHFFFAOYSA-N 305.319 1.920 0 40 DDAB CCn1c(=O)cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 4033792 UICARFIDHQJFSN-UHFFFAOYSA-N 318.352 1.022 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)Cc1ccc2c(c1)OCCO2 42535507 KBSQYCPDLRQATO-LBPRGKRZSA-N 301.346 1.402 0 40 DDAB CCNC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 6154256 ZHFGKVXZRQZSGW-SNVBAGLBSA-N 304.371 1.873 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H](n3ccnc3)C2)cs1 72254974 PVSVAQULSPXXED-NSHDSACASA-N 319.390 1.775 0 40 DDAB Cc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)nc1O 8612178 YJUPSMFXTUSEKP-UHFFFAOYSA-N 319.390 1.682 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 8718133 ZTTFBYKCKJATHA-GHMZBOCLSA-N 311.407 1.844 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3cccnc3)CC2)n1 55210089 UPEUTDPXWHRMQL-UHFFFAOYSA-N 313.405 1.239 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 107260390 NWFFNLHEICFOQP-JKSUJKDBSA-N 322.430 1.211 0 40 DDAB CCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(N)=O)cc1OC 56161891 DZBFCSXEPWMTQE-MNOVXSKESA-N 323.393 1.718 0 40 DDAB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc1OC 19322295 UZHDQHDKASDUFZ-UHFFFAOYSA-N 316.401 1.929 0 40 DDAB biogenic CNC[C@@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 71145091 PSIWRFSNVHWQOQ-JTQLQIEISA-N 322.352 1.935 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccco1 3292172 YQGCZVFHGMROEJ-UHFFFAOYSA-N 303.270 1.482 0 40 DDAB Cc1nc(SCC(=O)N2CCC[C@@H](C(N)=O)C2)nc(C)c1C 12685221 IITKERPDIARXOZ-GFCCVEGCSA-N 322.434 1.218 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1nc2nc(C)cc(C)n2n1 48262899 SXNOZNRZEFXPNF-LBPRGKRZSA-N 303.366 1.240 0 40 DDAB NC(=O)c1ccc(CNC(=O)c2ccc(-n3cccn3)cc2)cc1 48234908 ZIPUMLIGCSFRAR-UHFFFAOYSA-N 320.352 1.901 0 40 DDAB Cc1cccc(OC[C@@]2(CNCC3CC3)C[C@H](O)[C@H](O)C2)n1 107283841 OCERLMRRZVWRSB-SCAQPMJSSA-N 306.406 1.270 0 40 DDAB biogenic,in-vitro COCCN(CC(N)=O)Cc1cnn(-c2ccc(Cl)cc2)c1 48276944 GJOFOIBCSADXBT-UHFFFAOYSA-N 322.796 1.459 0 40 DDAB O=C(Cc1ccc2c(c1)CCCC2)N1CCS(=O)(=O)CC1 57795694 DSXMOLLWDIDTMC-UHFFFAOYSA-N 307.415 1.365 0 40 DDAB O=C1CN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cn2)CCN1 27263507 LGNFQOUKRZMKSA-GFCCVEGCSA-N 300.362 1.313 0 40 DDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCc1ccccc1 44936349 WXLGOXOEGDTKSJ-UHFFFAOYSA-N 322.386 1.516 0 40 DDAB CCOC(=O)CCNC(=O)c1cnn(C)c1-n1c(C)ccc1C 58356163 KZVDMOYZWUSBAB-UHFFFAOYSA-N 318.377 1.511 0 40 DDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)nc1 58304679 XODOUNXKYWLQRN-KRWDZBQOSA-N 318.465 1.878 0 40 DDAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCNC(=O)[C@H]2C)c1 58342711 JBAGXZJAVPXUET-GHMZBOCLSA-N 310.781 1.763 0 40 DDAB COc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC 27932499 IOSZLVMZWNOSFK-LLVKDONJSA-N 315.391 1.470 0 40 DDAB COc1cccc(CCNC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1 48301253 YVBPCXVVXITIFP-DOMZBBRYSA-N 304.390 1.516 0 40 DDAB COCCN1C[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)CC1=O 45288245 SZDIAGLOLQNXTP-GXTWGEPZSA-N 318.373 1.121 0 40 DDAB CN(CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCc2ccccc21 45736821 FWCAYZUIVSBRHV-CQSZACIVSA-N 301.390 1.936 0 40 DDAB Cc1c(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cnn1C 28430863 WQNZQAACXFSJHU-UHFFFAOYSA-N 301.346 1.772 0 40 DDAB O=C(CCn1cc(Br)cn1)NC[C@@H]1CCCO1 27938944 WPWWOEXFWHGHLG-JTQLQIEISA-N 302.172 1.331 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-n2cnnn2)cc1 2645393 RNGQTYKJQTYVLO-DOMZBBRYSA-N 315.377 1.736 0 40 DDAB Cc1cc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)no1 3427816 LDSFMPBSFNGZNQ-UHFFFAOYSA-N 323.349 1.161 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCCCC1)C2=O 3592636 JTEKZMBTRWYGKA-UHFFFAOYSA-N 321.421 1.890 0 40 DDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCCCC1 3592948 VBTAPOKPWPLYOX-UHFFFAOYSA-N 307.394 1.644 0 40 DDAB COc1ccc(NC(=O)CCc2ccc(-n3cnnn3)cc2)cn1 71287750 QVLZSABIMHYGAR-UHFFFAOYSA-N 324.344 1.637 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 71284282 NWAQMSULAOFQPH-VHSXEESVSA-N 310.737 1.734 0 40 DDAB CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(O)c1 3902375 SFBNFHWRDOBREB-CYBMUJFWSA-N 322.386 1.926 0 40 DDAB CS(=O)(=O)NCCCSc1nc2cc(F)c(F)cc2[nH]1 49372636 IBCWRFRIZLQRHU-UHFFFAOYSA-N 321.374 1.873 0 40 DDAB CCCCCCn1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 5076393 YJJCWINXSZUMCW-UHFFFAOYSA-N 317.393 1.873 0 40 DDAB COC(=O)[C@@H](NC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C 5244415 GITWHQTYZUNIGU-ZDUSSCGKSA-N 307.350 1.964 0 40 DDAB COC[C@@H](C)NC(=O)N[C@@H](c1ccccc1F)c1nccn1C 65424132 CWOPFLHDANANRX-RISCZKNCSA-N 320.368 1.983 0 40 DDAB CSc1nc2nc(CSc3ncccn3)cc(O)n2n1 9340415 JUKIOMGCQHXAKU-UHFFFAOYSA-N 306.376 1.634 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1 72269603 IIFUZKDLDYRSCR-QWHCGFSZSA-N 309.435 1.431 0 40 DDAB COCCn1nc(C(=O)N(C2CCCCC2)C2CC2)ccc1=O 66321017 DSNTZGTVSKVOBB-UHFFFAOYSA-N 319.405 1.827 0 40 DDAB COc1ccccc1C[C@H]1CCCN(c2ccc3nnnn3n2)C1 66817608 PFJLLTCLGQYKGJ-CYBMUJFWSA-N 324.388 1.987 0 40 DDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccn2)c1 5865605 BRDDAKRSUGLYQV-UHFFFAOYSA-N 305.359 1.584 0 40 DDAB CNC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 7054408 FAVOILKPPISTTI-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 7814160 VIZWJKOZTCGPRQ-JTQLQIEISA-N 324.324 1.494 0 40 DDAB C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@@H](C)O1 71826201 AUWLCBZSZAQHPP-ODXJTPSBSA-N 304.456 1.755 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cccn1)Nc1nncs1 70036920 KJMKBCLSDDTJDW-NSHDSACASA-N 306.395 1.228 0 40 DDAB Cc1cc(C)n(C[C@H](C)CN[C@H]2CCC[C@@H]2S(C)(=O)=O)n1 97033296 VFUWTPCYKGXDKN-UGFHNGPFSA-N 313.467 1.691 0 40 DDAB COC(=O)N1CCCN(C(=O)Nc2ccc(OC)nc2)CC1 69419214 LSHOODKIYCJDRL-UHFFFAOYSA-N 308.338 1.396 0 40 DDAB Cc1ccc(C(C)(C)CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 69655485 HKTPFKOMUKKOFX-AWEZNQCLSA-N 324.446 1.759 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H]1CC=CCC1 69743326 JRIUWKSJHJNTFA-CYBMUJFWSA-N 314.389 1.654 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H]1CSc3ccccc3O1)C2 69877056 DJXKRJKKOMJQJS-GFCCVEGCSA-N 316.386 1.482 0 40 DDAB CN1CCC(NC(=O)NCCOc2ccc(F)c(F)c2)CC1 72270038 ZVSBKISUMQMVLC-UHFFFAOYSA-N 313.348 1.737 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@H](c2ccn[nH]2)C1 72283044 ONRXHOAZDYFUNQ-ZDUSSCGKSA-N 314.393 1.798 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2-n2cccn2)CC1 84638266 AVUGCGIVVGXRBQ-CQSZACIVSA-N 314.389 1.011 0 40 DDAB Cc1noc([C@@H](C)OC(=O)c2cnc3sc(C)cn3c2=O)n1 95463263 PFDJOOBZJIKYMM-SSDOTTSWSA-N 320.330 1.674 0 40 DDAB C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)c1nc2ccccc2s1 95427159 BJPMMMDAGXLVNL-YPMHNXCESA-N 319.430 1.847 0 40 DDAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)[C@@H]2CCOC2)C1 95414106 HPSKVRUQRCWZDL-XJFOESAGSA-N 304.456 1.061 0 40 DDAB C[C@H](NS(=O)(=O)Cc1c(F)cccc1F)[C@H]1CCOC1 95980832 AEKIANFBPNSZJZ-UWVGGRQHSA-N 305.346 1.809 0 40 DDAB Cc1noc(CCCC(=O)NC2(C(=O)O)CCC(C)CC2)n1 95956987 JXQAYYVVLJNYQS-UHFFFAOYSA-N 309.366 1.850 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCCC1 95963823 WHWXAPCLVWFLBM-VIFPVBQESA-N 313.341 1.755 0 40 DDAB O=C(NC[C@H]1CCCOC1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123152 AMHUBXMFADOWSG-MRVPVSSYSA-N 319.283 1.942 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cn12 75127283 GALLHGSWSMDVKE-AWEZNQCLSA-N 310.361 1.749 0 40 DDAB Cc1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c(=O)[nH]1 75121979 DKSZDVMSLCYILB-UHFFFAOYSA-N 313.357 1.201 0 40 DDAB O=C1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C(=O)N1 89755967 KUILKRLLCXSIBI-SECBINFHSA-N 300.236 1.240 0 40 DDAB C[C@H]1CN(C(=O)c2cscn2)CCN1C(=O)c1cscn1 76089145 GOEXPXZSSUIAKK-VIFPVBQESA-N 322.415 1.586 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(Cc2ccc(F)cc2)CC1 172998563 ASPSETBEWZKWIU-UHFFFAOYSA-N 312.410 1.826 0 40 DDAB O=C(COc1ccc(F)cc1)NCCCNc1ncccn1 42756951 VXRWJZRCNHXDJY-UHFFFAOYSA-N 304.325 1.613 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(C)cc1 218443259 AHYIIUOXWGVNDO-JYJNAYRXSA-N 311.447 1.877 0 40 DDAB O=C(OCc1ccccc1)N1CCC(N2CCNCC2)CC1 73652971 UWOPXPBPPSMOTE-UHFFFAOYSA-N 303.406 1.693 0 40 DDAB COc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218101728 QZTGSBKLXUUZFV-ARFHVFGLSA-N 303.383 1.962 0 40 DDAB O=C(Cc1csc(-c2ccccn2)n1)N1CCN2CC[C@H]1C2 562964742 PMUDZNGBQNSZFQ-ZDUSSCGKSA-N 314.414 1.664 0 40 DDAB COCCNC(=O)C(=O)Nc1ccc(C)cc1Br 42646289 HFRDPGVQEGASDO-UHFFFAOYSA-N 315.167 1.459 0 40 DDAB CN(C)c1cc(C(=O)NCc2cnn(C)c2)nc2ccccc12 225801951 YKVSAWVUGSPOAX-UHFFFAOYSA-N 309.373 1.964 0 40 DDAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(F)cc2)n1 224195010 CTUJLQUWUAOIHW-UHFFFAOYSA-N 310.354 1.160 0 40 DDAB C[C@H](CCn1cncn1)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O 195548910 ILRLQKCBLGXCQD-FMKPAKJESA-N 313.405 1.840 0 40 DDAB O=C(NCCc1cn2c(n1)CCCC2)NCc1nccs1 80010170 OZCUXXQPOUPVLZ-UHFFFAOYSA-N 305.407 1.718 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 224653746 WGBKNEZBNXBXRH-MISXGVKJSA-N 309.387 1.940 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn(CC(F)(F)F)n1 1580404931 SZVFEEAAPAJJMK-CHWSQXEVSA-N 324.306 1.800 0 40 DDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(C(C)(C)C)no1 225435090 KMEGKFBSYXKHNN-QMMMGPOBSA-N 303.384 1.191 0 40 DDAB CCc1onc(C)c1NC(=O)C(=O)NCCc1ccc(C)nc1 96485377 IFHBBTTWHUWVLS-UHFFFAOYSA-N 316.361 1.546 0 40 DDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(CC1CC1)C2 96056972 JPRPYOFWGHDTEQ-NVXWUHKLSA-N 310.438 1.372 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1cnnc(O)c1Cl)CC2 95400813 NTAKTTQUWGNVIW-GHMZBOCLSA-N 313.785 1.592 0 40 DDAB Cc1cc(CN2C[C@H]3OC[C@@H](CC(=O)NCC4CC4)[C@H]3C2)no1 96215492 OQURCGCHXSVEDN-FVQBIDKESA-N 319.405 1.346 0 40 DDAB COc1ccc(CN2CCn3cc(Cn4cncn4)nc3C2)cc1 96197363 MNDFCHVYALORDB-UHFFFAOYSA-N 324.388 1.547 0 40 DDAB CCc1oc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)cc1C 97230660 SSHYAVYIKPCHIB-ZDUSSCGKSA-N 322.405 1.860 0 40 DDAB O=C(NC[C@H]1COc2ccccc2O1)c1cc2n(n1)CCCO2 90626829 MMBOQVRLKKSCEC-NSHDSACASA-N 315.329 1.235 0 40 DDAB COCCn1c2c(ccc1=O)C[C@@H](NCc1ccccn1)CC2 96189668 UMBYYGPOEMPDHM-HNNXBMFYSA-N 313.401 1.537 0 40 DDAB CC(C)(C)n1ncn([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O 97378356 JIFPOAXHDOHFOS-MRVPVSSYSA-N 306.288 1.136 0 40 DDAB Cc1nc(CN2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cs1 96184483 NKWGNXHMMWXEDW-NEPJUHHUSA-N 301.437 1.060 0 40 DDAB CCS(=O)(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 96255267 AURAMRWMCHCFGX-UHFFFAOYSA-N 318.402 1.289 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1OC 257322904 WHXSEWXXUCZIDY-CJNGLKHVSA-N 320.389 1.319 0 40 DDAB Oc1cc(CC[C@@H]2CN(Cc3ccc(F)cn3)CCO2)ncn1 257268476 MLVSFEPWZULPLX-OAHLLOKOSA-N 318.352 1.550 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2ccnc(O)n2)C1 257239818 HQXTUGCVKNGWDF-LLVKDONJSA-N 324.344 1.473 0 40 DDAB NC(=O)CN1CCC(c2ccnc(Nc3ccccn3)c2)CC1 257299663 RQZMMVLUAVPUGJ-UHFFFAOYSA-N 311.389 1.885 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1 257325999 WVIRYXIMVMLWSR-WBVHZDCISA-N 317.433 1.664 0 40 DDAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2cnco2)n1 257278804 ODSXQBBBVKGXSZ-INIZCTEOSA-N 315.377 1.990 0 40 DDAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O 252516397 SIPZRJFTSGPMSX-GZBFAFLISA-N 311.403 1.014 0 40 DDAB O=C(C/C=C/c1ccc(F)cc1)N1CCC(O)(C(=O)O)CC1 262535542 UDRUTVGGZDWFMS-OWOJBTEDSA-N 307.321 1.667 0 40 DDAB Cc1cc(F)cc(S(=O)(=O)NC[C@@H](C(=O)O)C(C)C)c1 275052055 SMYHDYPIUOIHHG-GFCCVEGCSA-N 303.355 1.769 0 40 DDAB COc1ccc(NC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(Cl)c1 575420011 DBFWUNHACZTHKI-MRVPVSSYSA-N 316.766 1.781 0 40 DDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)Cc1cccnc1 585275950 BOFOSVBJWIERRN-GJZGRUSLSA-N 319.405 1.156 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)/C=C/c2c(C)nn(C)c2C)[C@H]1O 585289495 IQQHAPACIGBTND-QGDIRPMESA-N 307.394 1.047 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cc(OC)no1)[C@H]2C 585097171 GKFVYUWTPVQEDL-JTQLQIEISA-N 320.349 1.286 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)Cc1ccccc1OC 585278730 ROICOZBFDVLKSH-KRWDZBQOSA-N 320.389 1.121 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1O 585278644 POKQWAVZIROUIB-CABZTGNLSA-N 314.744 1.048 0 40 DDAB CS(=O)(=O)c1ccc(OCCNC(=O)c2ccco2)cc1 69813996 LTDCOTBDNXLFOJ-UHFFFAOYSA-N 309.343 1.492 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CCC3)ccc21 31441562 LOLWKPXEALODQX-UHFFFAOYSA-N 301.346 1.240 0 40 DDAB C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)CC(N)=O 49003629 FLTYGDSHAYURMO-ZETCQYMHSA-N 311.281 1.546 0 40 DDAB O=C(c1cn[nH]n1)N1CC(OCc2cccc3ccccc23)C1 75093024 WQAUZXAAYMTKKS-UHFFFAOYSA-N 308.341 1.999 0 40 DDAB O=c1c2sccc2nc(S)n1CCCN1CCOCC1 100090867 WIFLVBUFMMNKDF-UHFFFAOYSA-N 311.432 1.469 0 40 DDAB in-vitro COc1cc(N2CCN(c3ccnc(C4CC4)n3)CC2)ncn1 302173430 VESZHGCWDLNAAW-UHFFFAOYSA-N 312.377 1.479 0 40 DDAB CCNC(=O)NC(=O)COC(=O)/C=C/c1ccccc1Cl 3393548 KOQQUCGCJRZOCR-BQYQJAHWSA-N 310.737 1.742 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(F)cc2)n1 5978667 CNPLJZKIWZZRKB-UHFFFAOYSA-N 322.369 1.739 0 40 DDAB O=C(NCCCN1CCOCC1)c1ccc(OC(F)F)cc1 19790493 QQQPLRYKNNMRJY-UHFFFAOYSA-N 314.332 1.740 0 40 DDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(C)CC1)O2 19588492 YVCZOKFYRUSVRX-MRXNPFEDSA-N 304.346 1.199 0 40 DDAB CN(Cc1ccccc1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14049753 YCFPYLOLYXCSJT-UHFFFAOYSA-N 323.352 1.348 0 40 DDAB CC(=O)N[C@@H]1CN(C)C2(CCN(Cc3ccccn3)CC2)C1 19695895 CSGJJUHQQLQIFI-INIZCTEOSA-N 302.422 1.256 0 40 DDAB Cc1nc(C(=O)NCc2nc(C3CCOCC3)no2)cs1 575605432 FKTHTDYLRPKQNZ-UHFFFAOYSA-N 308.363 1.659 0 40 DDAB O=C1[C@@H]2CN(c3ccncn3)C[C@@H]2C(=O)N1Cc1ccccc1 1888849704 PXCAKXBJUUIQLF-OKILXGFUSA-N 308.341 1.098 0 40 DDAB O=C(NCc1ccsc1)c1ccc(N2CCOCC2)nc1 20223747 DOAADYOCAHSACC-UHFFFAOYSA-N 303.387 1.910 0 40 DDAB CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1F 7309383 VERHOQRSYHZKIP-UHFFFAOYSA-N 308.762 1.188 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1 238843722 HZZZKUKNDFLANG-UHFFFAOYSA-N 305.359 1.290 0 40 DDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCCO1 21973308 ZCJFZHHDCJJMCC-LLVKDONJSA-N 311.765 1.949 0 40 DDAB Cc1c(C(=O)N2CCC3(CC2)CNC(=O)C3)nc2ccccn12 1565556016 UKIVYKSCCJCORN-UHFFFAOYSA-N 312.373 1.385 0 40 DDAB COC[C@@H]1CCC[C@@]12CN(C(=O)Cc1ccc(F)cn1)CCO2 1565547605 QNUIEFKRMXYLRZ-SUMWQHHRSA-N 322.380 1.807 0 40 DDAB CCC(=O)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665735 ZKKOBXNRMWYLNL-UHFFFAOYSA-N 317.736 1.716 0 40 DDAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2ncncc2F)C1 2086860201 AKRRUTAHWJPEJY-AWEZNQCLSA-N 305.288 1.568 0 40 DDAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cccnc1 206733232 TVAITQJSRICDQH-UHFFFAOYSA-N 312.377 1.790 0 40 DDAB CCOC(=O)CCC(=O)N1CCC[C@@H](Oc2ccnc(C)n2)C1 575610187 UGAXBZJYPCFRBF-CYBMUJFWSA-N 321.377 1.498 0 40 DDAB Cc1cc(CCNS(=O)(=O)/C=C/c2ccccc2)nn1C 585147674 GXCGXLUFNFSJQV-PKNBQFBNSA-N 305.403 1.861 0 40 DDAB NC(=O)c1cscc1NC(=O)c1cnn(-c2ccccc2)n1 618257095 QSPIAHVVZGZWAY-UHFFFAOYSA-N 313.342 1.680 0 40 DDAB CNC(=O)c1ccc(CN(CCS(C)(=O)=O)C2CC2)cc1 40497709 ZWJPAFFKOLUPIU-UHFFFAOYSA-N 310.419 1.055 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N(Cc2ccco2)C2CC2)C[C@@H](C)O1 40496306 QFQDEOOIHTWVIX-VXGBXAGGSA-N 314.407 1.598 0 40 DDAB O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 40511014 AMMSRDIILVDGNR-ZETCQYMHSA-N 324.312 1.808 0 40 DDAB CC1=NNC(=O)[C@H]1CCNC(=O)COc1c(C)cccc1C 101128375 DGSIUEDELPBWLC-ZDUSSCGKSA-N 303.362 1.310 0 40 DDAB CC(=O)NCCC(=O)Nc1nnc(Cc2ccccc2)s1 21054292 ONMXPOKBLKAUGM-UHFFFAOYSA-N 304.375 1.594 0 40 DDAB Cn1cnc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 52096147 VTBKCJNRNAGPME-UHFFFAOYSA-N 315.738 1.573 0 40 DDAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1cccs1 32777579 BOSVRIUORHEXJY-UHFFFAOYSA-N 307.360 1.525 0 40 DDAB CCCc1n[nH]c(SCC(=O)Nc2nnc(C(C)C)o2)n1 32832074 DYURRGASLIJBBZ-UHFFFAOYSA-N 310.383 1.994 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCC[C@@H](C)C1 32929722 VYPGMORUTFAEGW-SNVBAGLBSA-N 314.407 1.465 0 40 DDAB CCn1cc(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cn1 46952535 YBLPZSYSUOABFN-SNVBAGLBSA-N 319.331 1.909 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccnc(Cl)c2)C1 76376735 ZDACVLWRPMFSRI-WDEREUQCSA-N 316.810 1.821 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccccc1C 569485 CHRQFRDFGDYKKI-UHFFFAOYSA-N 304.379 1.518 0 40 DDAB COC[C@H](C)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 22625035 UWRJYTZDZIAECG-APIKWLIHSA-N 320.389 1.364 0 40 DDAB CS(=O)(=O)/N=C(\O)c1cccc(OCc2cscn2)c1 77943353 LQSQJUJNNYZWHM-UHFFFAOYSA-N 312.372 1.986 0 40 DDAB Cn1nc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)ccc1=O 79112720 YQPKVDHCVCQUGD-AWEZNQCLSA-N 312.373 1.497 0 40 DDAB O=C(CS(=O)(=O)c1ccccn1)NCc1ccc(Cl)cc1 47620391 JMUPUSWUWPHYAK-UHFFFAOYSA-N 324.789 1.825 0 40 DDAB CCCCC1=NN(C(=O)C(=O)OCC)[C@@](O)(C(F)(F)F)C1 4009319 XIBJASGUZYARHD-NSHDSACASA-N 310.272 1.579 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)CCNc3ncccn3)C2)n1 54120492 FVPOLZPXVWUKDP-LBPRGKRZSA-N 316.365 1.376 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)c1ccc(C(F)(F)F)nc1 97107123 RNRMWTVPRNGAMR-SNVBAGLBSA-N 318.295 1.978 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 42985870 ZISQNEIANBPDFK-JTQLQIEISA-N 316.810 1.534 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 106065929 CGWSWBYCXZDVKO-LALPHHSUSA-N 301.346 1.616 0 40 DDAB Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 12543464 WAXYPOZIFHIISW-UHFFFAOYSA-N 319.386 1.893 0 40 DDAB Cc1noc(C)c1CN(C)c1ncnc2c1cnn2CCO 97199732 IPQLGYFLGBJKCY-UHFFFAOYSA-N 302.338 1.060 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)NCc1ccccc1 54177496 CPMZDSOKSMYPGP-SOUVJXGZSA-N 301.390 1.092 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)NCCC(=O)O)ccc12 1750389 BPYDGLYIEFWRLE-UHFFFAOYSA-N 305.286 1.071 0 40 DDAB biogenic CNC(=O)[C@@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1 26661791 FSFGHQQEHQSERA-LLVKDONJSA-N 304.346 1.100 0 40 DDAB C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)c1cccs1 97032192 GHNPUSNITPDEIT-SNVBAGLBSA-N 304.437 1.249 0 40 DDAB CCCO[C@H]1CCCN(C(=O)N[C@H](C)Cn2cncn2)CC1 108569561 KNKACSBJUNVCME-KGLIPLIRSA-N 309.414 1.657 0 40 DDAB O=C(NOCc1ccccc1)c1cnc2sccn2c1=O 48274395 AHYVIUJIADFSBA-UHFFFAOYSA-N 301.327 1.618 0 40 DDAB Cc1ccc(C)c(C(=O)Cn2nnn(-c3ccccc3)c2=O)c1 21577431 VPLRAVZNBGMPFY-UHFFFAOYSA-N 308.341 1.929 0 40 DDAB Cc1nc(CNC(=O)Nc2cccc(N3CCOC3=O)c2)n[nH]1 72285575 PTYGATWBRJSXTD-UHFFFAOYSA-N 316.321 1.391 0 40 DDAB CCNS(=O)(=O)c1ccc(C(=O)OCc2ccccn2)cc1 10193667 ATKMEFCUTRDZTD-UHFFFAOYSA-N 320.370 1.737 0 40 DDAB O=C(c1cccs1)N1CCN(C[C@@H](O)c2ccco2)CC1 27204995 TZYOLLQCZHVXSK-GFCCVEGCSA-N 306.387 1.833 0 40 DDAB O=C(CN1CCN(c2nccs2)CC1)N1CCCCCC1 44874407 MTYBAQZLYAOYOM-UHFFFAOYSA-N 308.451 1.668 0 40 DDAB Cc1ccccc1NCCC(=O)N[C@@H](C)CN1CCOCC1 58295378 VTGXXKSMNMTNTF-HNNXBMFYSA-N 305.422 1.634 0 40 DDAB NC(=O)CC1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 44951131 XZXRUHPRMMUQKZ-UHFFFAOYSA-N 318.352 1.963 0 40 DDAB Cc1nn(C[C@H](O)c2ccc(F)cc2)c(=O)c2noc(C)c12 58342742 HSDPSUUZMRFFLK-LBPRGKRZSA-N 303.293 1.874 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H]1CN(C)CCO1 58312457 YOEFIGIDLRUVLB-NWDGAFQWSA-N 312.797 1.554 0 40 DDAB CC(C)c1nnc(NC(=O)NCc2nncn2C2CC2)s1 72275192 VMIDVFIWKCWPAJ-UHFFFAOYSA-N 307.383 1.910 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cn1 72235170 OKXFDAMRVKMHRQ-ZDUSSCGKSA-N 300.366 1.471 0 40 DDAB NC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1 3306185 KLUKXCSQIHFFKA-UHFFFAOYSA-N 310.394 1.526 0 40 DDAB CC(C)(CNC(=O)c1cc[n+]([O-])cc1)c1ccc2c(c1)OCO2 58758210 NWUMBHOCNPZHLO-UHFFFAOYSA-N 314.341 1.756 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[C@@H]1CCCO1 28841685 RCMIFLZJLBXOMY-LBPRGKRZSA-N 315.373 1.841 0 40 DDAB Cc1cc(C)n2nc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2n1 3444266 XBKFEFZJCDUNSH-SECBINFHSA-N 322.394 1.053 0 40 DDAB Cc1cc(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)no1 13578805 VASWTPIXTRIMRF-NSHDSACASA-N 303.343 1.989 0 40 DDAB CCOC(=O)[C@@H](C)Sc1nc2[nH]c(=O)cc(O)c2s1 13629469 JVLOTJZNQWUAMY-RXMQYKEDSA-N 300.361 1.734 0 40 DDAB CN1[C@H](Cc2cccc(O)c2)[C@@H](O)c2ccccc2S1(=O)=O 13726654 ARZSZHLRBARGTK-ZBFHGGJFSA-N 319.382 1.671 0 40 DDAB CCN(CC)c1ccc(C(=O)N(CC(N)=O)C2CCCC2)cn1 65489139 CUCLWBBZMYRHDB-UHFFFAOYSA-N 318.421 1.798 0 40 DDAB COC(=O)c1cccc(C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)c1 96703787 SZXQIECEHQQWGH-LBPRGKRZSA-N 316.313 1.333 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 29444544 VEOWFPJTJCFBHX-CQSZACIVSA-N 304.394 1.169 0 40 DDAB C[C@H](NC(=O)CCC(=O)NC[C@@H]1CCCO1)c1ccccc1 4599317 HAYDJLJKSIYLQX-ZFWWWQNUSA-N 304.390 1.939 0 40 DDAB Cc1nc(C[S@@](=O)c2ccccc2)cc(N2CCOCC2)n1 5423354 YVUDUIARHVBSIP-QFIPXVFZSA-N 317.414 1.929 0 40 DDAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC1CC1 6509472 ULVFTWYJWNQJHO-CYBMUJFWSA-N 322.430 1.825 0 40 DDAB CC(C)C[C@@H](C(=O)NC1CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 15587053 GPMVBOUDIMZONN-MJBXVCDLSA-N 304.390 1.631 0 40 DDAB COc1cccc(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)c1 7655372 MLNXPAMPXZTDBO-SNVBAGLBSA-N 307.302 1.454 0 40 DDAB Cc1ncsc1C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 96419146 KPRZIKIATZFMNT-UWVGGRQHSA-N 302.421 1.537 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NC(=O)NCCOc1cccnc1 96415530 AQPWWOWBRYQFSW-LLVKDONJSA-N 318.377 1.996 0 40 DDAB COC1CCN(S(=O)(=O)c2cc(C(=O)O)sc2C)CC1 69051313 OUPWZIYWEVYSFR-UHFFFAOYSA-N 319.404 1.554 0 40 DDAB O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCOCC1 69195205 TUDZUKGKPMPIDA-UWVGGRQHSA-N 316.345 1.274 0 40 DDAB O=S1(=O)CC[C@H](CNCc2c(Cl)nc3ccccn23)C1 71825189 QDKKBLZWHPSNBI-SNVBAGLBSA-N 313.810 1.512 0 40 DDAB CC[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 91406192 ACIDUQILQXCSBI-CQDKDKBSSA-N 312.435 1.942 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(c3nccs3)CC2)cn1 71830458 WKAQPFCMWRDXTI-QWHCGFSZSA-N 317.418 1.329 0 40 DDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)nn1 69518166 GTNZRNMTQULGJT-CQSZACIVSA-N 314.393 1.281 0 40 DDAB COC(=O)c1cccn1C1CCN(C(=O)[C@H]2CCCO2)CC1 83897503 RJGZJOCYVCFCTP-CQSZACIVSA-N 306.362 1.617 0 40 DDAB Cc1cc(S(N)(=O)=O)sc1C(=O)NCC1CCCC1 69846714 ZJXSSMMGMDHGFU-UHFFFAOYSA-N 302.421 1.624 0 40 DDAB O=C(Nc1nc2ccc(Cl)cn2n1)N[C@H]1CCCC[C@@H]1O 97376550 BATHESSSORAZOH-UWVGGRQHSA-N 309.757 1.808 0 40 DDAB CN(C[C@@H](O)COCc1ccccc1)C1CCS(=O)CC1 95432192 AJSDCTBYSSUGQQ-ZGOJQLDESA-N 311.447 1.407 0 40 DDAB C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)O 95970491 HPNFVWVSYQBBMV-RYUDHWBXSA-N 322.361 1.311 0 40 DDAB CCc1ccc(CC)c(NC(=O)N[C@@H](CCOC)C(N)=O)c1 95987443 XSPRECYTWHOHFU-ZDUSSCGKSA-N 307.394 1.823 0 40 DDAB COC(=O)[C@H]1CCC[C@@H]1C(=O)NCCc1cn2ccccc2n1 95994670 FNGFGPDATNUIFN-KBPBESRZSA-N 315.373 1.582 0 40 DDAB COc1cccc(S(=O)(=O)CCSc2nccn2C)c1 75126899 JZZLSPSEPBGNGV-UHFFFAOYSA-N 312.416 1.995 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C(=O)N(C)C)c1 75134047 JAJOJAUGGLMABM-ZDUSSCGKSA-N 318.377 1.131 0 40 DDAB O=C(c1ccc(N2CCCC2)nc1)N1CCCC2(C1)OCCO2 89794202 JXLLIOTYZOPMRT-UHFFFAOYSA-N 317.389 1.661 0 40 DDAB CCc1nc([C@@H]2CCCN2CC(=O)Nc2nccs2)no1 75573234 GQTZEOWUNNWYBB-VIFPVBQESA-N 307.379 1.864 0 40 DDAB C[C@H]1CN(CC(=O)Nc2nncs2)CCN(C2CCC2)C1 555666082 JHRCZRSBJQOZQE-NSHDSACASA-N 309.439 1.283 0 40 DDAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 408589581 DVKAAGIQKSJBCU-XNFYSYIQSA-N 318.329 1.841 0 40 DDAB COc1ccc([C@@H](O)CN2CCc3c(ncn3C)C2)cc1OC 5530523 OMPZCCSOSIVFBN-HNNXBMFYSA-N 317.389 1.529 0 40 DDAB COCCN1CC[C@]2(CN(C)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306127802 GIBMRDCYRHTDHV-RHSMWYFYSA-N 320.437 1.358 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](C)[C@H](CNc3ncccn3)C2)n[nH]1 1039848283 WULINBPNRJKPGN-DGCLKSJQSA-N 314.393 1.718 0 40 DDAB Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2CCO)n1 72382367 MSFBJKJIDFNIDF-ZDUSSCGKSA-N 314.393 1.838 0 40 DDAB Cc1ccccc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1 77261772 BPUCADFRFOMHEA-QBPKDAKJSA-N 312.369 1.398 0 40 DDAB biogenic,in-vitro Cc1noc(C)c1CN1CCN(c2ccnc(N(C)C)n2)CC1 606899188 WIUQHAQFRZTHFF-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 41295764 CWWMXJWMULWXSI-MRXNPFEDSA-N 323.396 1.789 0 40 DDAB CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCCN(C)CC1)CC2 526968572 MUHKYVJIQRXEJN-ZDUSSCGKSA-N 304.438 1.802 0 40 DDAB O=C(COCc1ccccc1)N1CC[C@@H](Oc2cnccn2)C1 225795661 WFCYNGNOLKIHLN-OAHLLOKOSA-N 313.357 1.673 0 40 DDAB CC1(C)COCCN1C(=O)CCOCC(F)(F)C(F)F 190043445 NPVIIVCPKZGLHL-UHFFFAOYSA-N 301.280 1.931 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 45574373 TYNGOKZVIKTSBF-NSHDSACASA-N 314.382 1.315 0 40 DDAB O=C(NCC[C@@H](O)c1cccs1)C(=O)NCc1ccco1 77115227 IUCUQEDMKBENJC-LLVKDONJSA-N 308.359 1.197 0 40 DDAB Cc1cccc(OCC(=O)N2CC[C@H](Oc3cnccn3)C2)c1 225792879 UMVKTFXYQSBKBZ-HNNXBMFYSA-N 313.357 1.844 0 40 DDAB Cc1ccccc1-n1cnnc1CN1CCC[C@@H](C(=O)O)C1 85346269 TXEYNWBFNZMHFA-CYBMUJFWSA-N 300.362 1.872 0 40 DDAB Cc1cc(NC(=O)CN2CCN(C[Si](C)(C)C)CC2)no1 195529955 GXRCCIHYLJHCOB-UHFFFAOYSA-N 310.474 1.417 0 40 DDAB CC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H](C)[S@]1=O 332252222 RLFQAAAXUVXIMU-QLMNROTDSA-N 305.403 1.706 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(C(=O)c4ccco4)C[C@H]32)nn1 96054407 BUYGNHJVEZUBDC-OCCSQVGLSA-N 314.345 1.108 0 40 DDAB COC(=O)c1ncn(C[C@@H](O)c2ccc(Cl)cc2)c1CO 98212682 SGASWDUEZULPOE-GFCCVEGCSA-N 310.737 1.549 0 40 DDAB CN(C)C(=O)N[C@@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 96185849 JHISFPLGTGSBJP-RBSFLKMASA-N 304.394 1.085 0 40 DDAB Fc1cnc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1 96196946 ITOUSKSGOJHUKP-UHFFFAOYSA-N 313.340 1.120 0 40 DDAB Cc1ccc(O[C@@H](C)CNC(=O)CCN2CCCC2=O)cc1 96431404 DQWNTYTXCZHDAZ-AWEZNQCLSA-N 304.390 1.891 0 40 DDAB CN(C)C1CN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 95450191 NIMQKZYEJPVVCT-UHFFFAOYSA-N 308.325 1.730 0 40 DDAB CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CCCc2ccccc21 95451418 NSWPZKHUXGXPKZ-AWEZNQCLSA-N 324.446 1.504 0 40 DDAB Cc1ccc(NC(=O)Nc2cnn(C[C@@H](O)CN(C)C)c2)s1 96441316 RIOXOWUQSQVUFM-LBPRGKRZSA-N 323.422 1.820 0 40 DDAB O=C(O)CN(CC1CC1)C(=O)c1coc(Br)c1 97228612 WXQSGXWTHOODGZ-UHFFFAOYSA-N 302.124 1.979 0 40 DDAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(C)n1)C2 248125712 LQJZJVRTDKONLO-HNNXBMFYSA-N 317.433 1.963 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1Cc1ccccc1C(=O)O 257342886 ZQMPRQBIEABUJE-CQSZACIVSA-N 301.346 1.990 0 40 DDAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccco1 252503524 VENPKEBDCLIMMR-UHFFFAOYSA-N 304.325 1.855 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 257266638 MDVLSYYAPYTYBL-AWEZNQCLSA-N 316.323 1.844 0 40 DDAB COc1ccc([C@@H]2Cn3ccnc3CN2S(C)(=O)=O)cc1 257249001 JGGJLQMDZWZTNQ-ZDUSSCGKSA-N 307.375 1.408 0 40 DDAB CC(=O)N1CCCC[C@@H]2CN(C(=O)Cn3cc(C)cn3)CC[C@H]21 257206362 BDANUHFLNPWWIP-HZPDHXFCSA-N 318.421 1.441 0 40 DDAB O=C(Cn1cccn1)NCc1cnc([C@H]2CCCCO2)nc1 257257373 KPIQZEOHDVUQPI-CYBMUJFWSA-N 301.350 1.231 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1F 257269487 MQFGCBQDXFGEED-IIAWOOMASA-N 322.380 1.552 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)c1 257271050 MWPBXXIFBQZSGX-AWEZNQCLSA-N 324.388 1.869 0 40 DDAB O=C(Cn1cccn1)NCc1cnc([C@@H]2CCCCO2)nc1 257257374 KPIQZEOHDVUQPI-ZDUSSCGKSA-N 301.350 1.231 0 40 DDAB CNC(=O)[C@@]1(C)CN(Cc2ccccc2N2CCCC2)CCO1 257312609 UOTVIMCFFYATOA-GOSISDBHSA-N 317.433 1.624 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@H](Cc2[nH]ncc2C)C1 257245034 INVXOTHSNKYGFV-CQSZACIVSA-N 315.421 1.958 0 40 DDAB CCSCCCNC(=O)NC1CCN(c2ncccn2)CC1 252485645 HAYRKCWZPOPADO-UHFFFAOYSA-N 323.466 1.888 0 40 DDAB O=C1CCCN1c1ccc(OCc2nnc3n2CCOC3)cc1 280821249 UYWALVXBUHSDLL-UHFFFAOYSA-N 314.345 1.514 0 40 DDAB COC(=O)c1ccsc1NC(=O)c1cnn2c1OCCC2 90583929 GXFQVUBPLWSJRC-UHFFFAOYSA-N 307.331 1.766 0 40 DDAB O=C(Cc1ccccn1)N[C@@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1 585110254 PCZDFUZKRRRGMO-CGTJXYLNSA-N 322.412 1.798 0 40 DDAB CCn1ccnc1CN1CCN(Cc2nc(C)c(C)o2)CC1 69348520 NLMOHGPBKVAMIS-UHFFFAOYSA-N 303.410 1.826 0 40 DDAB Cn1c(CN2CCO[C@H](Cn3cccn3)C2)nc2ccccc21 69418677 VGVAYVYCVVYLQS-AWEZNQCLSA-N 311.389 1.671 0 40 DDAB O=C(Cc1cc(F)ccc1F)Nc1c[nH]nc1[C@H]1CCNC1 1549747225 RZQJTRSBSJGJEJ-VIFPVBQESA-N 306.316 1.946 0 40 DDAB COc1cc(N2CCN(C3Cc4ccccc4C3)CC2=O)ccn1 1776008883 QYPAHAXRRBONKC-UHFFFAOYSA-N 323.396 1.906 0 40 DDAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCC3)c2)no1 72853689 FLJWDHLPKFVATL-UHFFFAOYSA-N 321.358 1.630 0 40 DDAB CCOC(=O)C(C(=O)OCC)=C(C)CO[C@H]1CCCCO1 96031795 LESSPILOSKJBKI-LBPRGKRZSA-N 300.351 1.972 0 40 DDAB in-vitro CN(C)C1(CNS(=O)(=O)c2ncn(C)c2Cl)CCCC1 40527724 WBXRKSFADGGIGH-UHFFFAOYSA-N 320.846 1.226 0 40 DDAB CC(=O)N[C@@H]([C@H]1C(=O)N(C)N=C1C)C(Cl)(Cl)Cl 16607645 MNOADYYQGIVNDM-BQBZGAKWSA-N 300.573 1.325 0 40 DDAB Cc1nccn1CCC(=O)N1CC(C(=O)N2CCCCC2)C1 19747452 DEVQUUDEHXIOGD-UHFFFAOYSA-N 304.394 1.053 0 40 DDAB COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N[C@H]1CSC1(C)C 393813684 FCQHFAXMWLXBQT-ZJUUUORDSA-N 318.439 1.536 0 40 DDAB O=C(COc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 4070771 ONBBCOPPHRRPQK-CYBMUJFWSA-N 319.382 1.522 0 40 DDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N1CCCC1 7123425 ZSCHIQFWGIDRME-JTQLQIEISA-N 315.329 1.091 0 40 DDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCc2sccc2C1 32902728 RTSARNQBWAFUSB-UHFFFAOYSA-N 316.429 1.553 0 40 DDAB COc1ccc(Cl)cc1C(=O)N(C[C@@H](C)O)C[C@@H](C)O 96319296 QTZDRTUARSRZTI-NXEZZACHSA-N 301.770 1.552 0 40 DDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1Cc2cncnc2C1 96025512 NNLKECBOVCBVTP-UHFFFAOYSA-N 313.741 1.974 0 40 DDAB COc1ccc(OCCS[C@H](C)C(=O)N2CCNC2=O)cc1 50249791 PFDVRZCZOGQJCF-LLVKDONJSA-N 324.402 1.748 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)nc3cc(C)ccn3c2=O)cc1 8604405 ISNWKXJUZXIQGZ-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB CN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714929 ZXPVGULDPCXBCF-LLVKDONJSA-N 304.394 1.206 0 40 DDAB Cn1ncc2c(=O)n(Cc3nc(-c4ccccc4)no3)cnc21 26171279 RVRIMYOCHBVZLU-UHFFFAOYSA-N 308.301 1.228 0 40 DDAB O=C(NCCn1ccn2nccc12)c1cc(-c2ccco2)on1 206743299 HBCHTXULIGWQKP-UHFFFAOYSA-N 311.301 1.814 0 40 DDAB O=c1ccncn1CC1CCN(c2ncnc3c2CCC3)CC1 585636685 LXLMSCXHBGVLAC-UHFFFAOYSA-N 311.389 1.439 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nccs1)C2=O 13039772 KIWUFCFJWXXPMS-UHFFFAOYSA-N 322.390 1.582 0 40 DDAB CCC(C)(C)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 26747870 PJADTZPXUJNUCP-UHFFFAOYSA-N 300.380 1.261 0 40 DDAB O=C(NCCCN1CCOCC1)c1csc(-c2ccco2)n1 40493812 PTWMEXGRCDLGHH-UHFFFAOYSA-N 321.402 1.855 0 40 DDAB CCSc1nnc(NC(=O)[C@H]2CCCN(C(C)=O)C2)s1 40466489 MGQKQEKJTWYPOU-VIFPVBQESA-N 314.436 1.847 0 40 DDAB Cc1cc(NC(=O)N2CCNC(=O)C2)ccc1Br 40525840 FESPKYILVYFBSF-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCN(Cc2ccccn2)CC1 20543096 VOQXWFOXIBPQDT-OAHLLOKOSA-N 304.394 1.088 0 40 DDAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 32827161 MKFPWSMBHCVDSP-UHFFFAOYSA-N 315.376 1.547 0 40 DDAB O=C(NCCN1CCCCCC1=O)c1ccc2[nH]nnc2c1 32742297 NFZZPSDSKMPNQJ-UHFFFAOYSA-N 301.350 1.090 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCc2ccccc2F)C[C@H](C)O1 32895610 IHPBPGFLYUXRKZ-RYUDHWBXSA-N 316.398 1.312 0 40 DDAB CCc1c(C(=O)NC[C@@H]2CCOC2)cnn1-c1ccccn1 41366537 MLANXGQJKMDVIL-LBPRGKRZSA-N 300.362 1.596 0 40 DDAB Cn1nnnc1SCCC(=O)Nc1cc(C2CCCC2)[nH]n1 72288746 FHSKBBOCWUPMDW-UHFFFAOYSA-N 321.410 1.712 0 40 DDAB C[C@@H]1C[C@H](N2CCC[C@H](C(=O)Nc3nccs3)C2)C(=O)O1 79886100 HFYPXMSGNXKICJ-VWYCJHECSA-N 309.391 1.498 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1 2961015 OEZWGGJEIXFVGR-UHFFFAOYSA-N 317.370 1.821 0 40 DDAB Cc1ccc(-c2nc(CS(=O)(=O)c3nncn3C)co2)cc1 47622693 ZGADZASMXALDNC-UHFFFAOYSA-N 318.358 1.752 0 40 DDAB CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CC 4497947 WHKFWOSNIRUQSY-CYBMUJFWSA-N 319.405 1.624 0 40 DDAB O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 4575137 GTBSEHMAIQDDNZ-UHFFFAOYSA-N 302.286 1.306 0 40 DDAB CSc1nnc(C)n1NC(=S)NC(=O)c1cccs1 6320455 ZQVNYGYIXPIOCY-UHFFFAOYSA-N 313.433 1.628 0 40 DDAB CCCCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 6651467 VDLKVYPCVUQZHK-UHFFFAOYSA-N 307.394 1.482 0 40 DDAB CCCC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1 6817897 GBKACRNYXMOYPO-UHFFFAOYSA-N 304.397 1.061 0 40 DDAB COC(=O)C1CCN(C(=O)CSc2nc(C)cs2)CC1 47823259 XEECQNUMAFFFCM-UHFFFAOYSA-N 314.432 1.955 0 40 DDAB CC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1 24518744 IMLYFCGZYZVGQF-LLVKDONJSA-N 318.377 1.633 0 40 DDAB C[C@H]1CCCN([C@H](C)CNS(=O)(=O)N2CCCCC2)C1 106072674 LZKLYDWDGLULSD-UONOGXRCSA-N 303.472 1.427 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccc(OCC(F)(F)F)nc1 24981099 JMHBRTSCIHFKJO-JTQLQIEISA-N 304.268 1.932 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100179599 KVMAWRQFOJLWOB-ZAQNNHEOSA-N 309.321 1.942 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@]1(C(=O)O)CCSC1 43510126 GNKNNGJYNGHCSO-YMTOWFKASA-N 313.350 1.670 0 40 DDAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)NC(=O)NC(C)(C)C 12516061 WLPXFKXXTAVRLW-SECBINFHSA-N 307.350 1.840 0 40 DDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 1642754 VUYWLCHFKCFCNH-GHMZBOCLSA-N 314.382 1.611 0 40 DDAB COCc1nc2ncnn2c(N)c1-c1ccc(OC)c(OC)c1 9290025 RXNUFMQQULLTLG-UHFFFAOYSA-N 315.333 1.537 0 40 DDAB C[C@@H]1CCC[C@@H](NS(=O)(=O)CCn2nnc3ccccc32)C1 26875740 CEASJCCIFXXCEC-CHWSQXEVSA-N 322.434 1.929 0 40 DDAB CN1CCC[C@H](NS(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 97159663 GWBNDZUVDLWDJF-LBPRGKRZSA-N 322.386 1.166 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3cccc[n+]3[O-])CC2)c1C 44850595 QXFPYRJAJBXIGA-UHFFFAOYSA-N 311.385 1.899 0 40 DDAB C[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H](C)O1 44889029 WMDUWHNGEYUCKS-CHWSQXEVSA-N 315.373 1.422 0 40 DDAB Fc1cnc(N2CC[C@H]3[C@@H]2CCN3CC2CCOCC2)nc1 107199379 GQTWSXMQMGKQPK-GJZGRUSLSA-N 306.385 1.695 0 40 DDAB O=C(NCCS(=O)(=O)c1ccccc1)Nc1nncs1 44972405 LLPKEJYVCIJZTQ-UHFFFAOYSA-N 312.376 1.134 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCO1 44951913 HDXACHHLFVOTJE-YPMHNXCESA-N 301.350 1.956 0 40 DDAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)[C@H]1CCCO1 27866904 FAPKKUSVCSPLLF-WCQYABFASA-N 320.414 1.809 0 40 DDAB Cc1nn(C[C@@H](O)c2cccc(F)c2)c(=O)c2noc(C)c12 58342843 RNKRIAQJHKZJOS-GFCCVEGCSA-N 303.293 1.874 0 40 DDAB O=C(OCCO)c1cnn(-c2ccccc2F)c1-n1cccc1 45002357 PZNRSUZMNXKPRJ-UHFFFAOYSA-N 315.304 1.951 0 40 DDAB COC(=O)[C@@H](C)CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 58415436 PIQJWPAQVXPCNC-VIFPVBQESA-N 306.362 1.723 0 40 DDAB C[C@@H](NC(=O)NCC(=O)NCCc1ccccc1)[C@@H]1CCCO1 58558765 VQQRKVUNRKZQTR-HIFRSBDPSA-N 319.405 1.212 0 40 DDAB COc1ccccc1[C@@H](C)N(C)C(=O)CN1CSCC1=O 58691583 SGZYAUHJWAAFRE-LLVKDONJSA-N 308.403 1.748 0 40 DDAB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccccc1 100354946 HAFNOBSOAMEJIW-CZUORRHYSA-N 320.304 1.814 0 40 DDAB O=c1n(CCCOc2ccccc2)nnn1-c1cccs1 11154647 OAGAJINLIPRTRV-UHFFFAOYSA-N 302.359 1.960 0 40 DDAB O=C(c1cnc2ccc(Br)cn2c1=O)N1CCCC1 55105456 SXZLLVJRLLXCNG-UHFFFAOYSA-N 322.162 1.693 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)C1=Cc2ccccc2CC1 45811371 HWEWAEOWWZSGRV-UHFFFAOYSA-N 322.430 1.891 0 40 DDAB COCCOCC(=O)NCc1ccc(N2CCCC2=O)cc1 29766330 QKZWHNHMXIRJLR-UHFFFAOYSA-N 306.362 1.093 0 40 DDAB C[C@@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc(Cl)cn1 2644080 DNTMRACYVIZFCM-SECBINFHSA-N 321.720 1.552 0 40 DDAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C)C)C1=O 2636570 AWGGZIRICMWAFX-OAHLLOKOSA-N 323.780 1.585 0 40 DDAB Cc1nnc(SCc2cccc(C(C)C)n2)n1CC(N)=O 95451646 RBWLYQLJOIXJSS-UHFFFAOYSA-N 305.407 1.883 0 40 DDAB CNC(=O)c1ccc(CN(C)CC(=O)Nc2cc(C)no2)cc1 29931168 ZLXWVOQHYRKYMC-UHFFFAOYSA-N 316.361 1.413 0 40 DDAB CC(C)[C@@H](C)NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 29950411 YRDOQCYMWPSWGR-SNVBAGLBSA-N 323.784 1.243 0 40 DDAB CC(C)(C)C(=O)NCCCC(=O)NCC(=O)Cc1ccccc1 95451294 KBAYADGKCNFVEK-UHFFFAOYSA-N 318.417 1.857 0 40 DDAB COc1ccc(C(=O)N2CCNC(=O)C2)cc1Br 37977501 XGBGVNJCXPQFLX-UHFFFAOYSA-N 313.151 1.030 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)CCNC(=O)[C@@H]1C[C@H]1C 48305197 KATJHVXOULIMCX-TZMCWYRMSA-N 319.405 1.647 0 40 DDAB COCCCNC(=O)C(=O)Nc1c(C)nn(CC(C)C)c1C 49549220 FJXUKGBQQXBDOI-UHFFFAOYSA-N 310.398 1.247 0 40 DDAB Cn1cccc1[C@@H]1COCCN1C(=O)CNC(=O)C(C)(C)C 97379419 LFQSFIFXTCOCEE-ZDUSSCGKSA-N 307.394 1.087 0 40 DDAB O=C(NCCC1=CCOCC1)N[C@H]1c2ccccc2C[C@H]1O 95437051 RCTOZJPVNSCNQJ-CVEARBPZSA-N 302.374 1.681 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CCC(n4cccc4)CC3)nc21 65410855 GNEQXNRVTHCNAY-UHFFFAOYSA-N 312.377 1.295 0 40 DDAB COC[C@H](C)NC(=O)NC[C@H](C)N1CCc2sccc2C1 65428271 ZIOMCZIRNWPCJN-RYUDHWBXSA-N 311.451 1.829 0 40 DDAB O=C(CCC(=O)NC[C@@H]1CCCO1)NCCc1ccccc1 4615174 ABCSMDWPNAEWBX-HNNXBMFYSA-N 304.390 1.421 0 40 DDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O 6678103 ACSWMBJDIGUGMC-UHFFFAOYSA-N 309.325 1.339 0 40 DDAB CN1CCCN(CC(=O)NC[C@@H]2CCCO2)c2cc(F)ccc21 95432178 LKJBSNZQSQXBOO-AWEZNQCLSA-N 321.396 1.767 0 40 DDAB O=C1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CCN1 7063972 CPHNINSDKKRCJE-UHFFFAOYSA-N 308.337 1.490 0 40 DDAB O=C(NCCO)C1=Cc2cc(Br)ccc2OC=C1 15838645 VEPNJJUYNXHMHO-UHFFFAOYSA-N 310.147 1.847 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 7788081 WIYCINPLPVEDNT-ZDUSSCGKSA-N 303.406 1.785 0 40 DDAB C[C@H](C(=O)N1CCc2cnccc21)n1nnc(-c2ccccc2)n1 96431130 OJVQWFBQLKFWIC-GFCCVEGCSA-N 320.356 1.885 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1(C)C 96443869 NWAZMUFRGUXTEJ-QWQRMKEZSA-N 322.449 1.955 0 40 DDAB COCCCNCC(=O)Nc1ccccc1C(=O)NC1CC1 8390541 RLOTZNFHJLVALX-UHFFFAOYSA-N 305.378 1.143 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)c1 69455529 MXIDIMQSKUSDIH-CYBMUJFWSA-N 323.828 1.788 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)c1 69442404 LJAIAGPRLGZZOP-AWEZNQCLSA-N 324.388 1.800 0 40 DDAB O=C(COC1CCCCC1)N1CCC[C@@H](N2CCNC2=O)C1 71830624 KSNHHBHERIIGIS-CYBMUJFWSA-N 309.410 1.352 0 40 DDAB C/C=C/C=C/C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 69841560 QLHUUZBOWKIXRU-VIGIRYAPSA-N 308.403 1.986 0 40 DDAB CCn1c(CN[C@H]2CCc3ncnn3C2)nc2cc(F)ccc21 69873370 NTVMWWOEYHIVEV-LBPRGKRZSA-N 314.368 1.891 0 40 DDAB CC(=O)N[C@H](C)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 94124003 DEDPCBHGYSCWKW-QFWMXSHPSA-N 312.410 1.528 0 40 DDAB O=C(Nc1cccc(-c2noc(CCn3cncn3)n2)c1)C1CC1 69970839 XAFAYPZZBVRHMH-UHFFFAOYSA-N 324.344 1.919 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)CCCOc2cccc(F)c2)CC1 69980844 AXFWAWSWSQWCDP-CQSZACIVSA-N 324.396 1.510 0 40 DDAB CC(C)N1C(=O)C[C@H](Nc2ncnc3cc(F)c(F)cc23)C1=O 97971427 DVIGKXQFCRNKJN-LBPRGKRZSA-N 320.299 1.856 0 40 DDAB Cn1nnc2cc(C(=O)NCCN3CCc4ccccc43)ccc21 72274083 WZTIAYMCLRLWRQ-UHFFFAOYSA-N 321.384 1.761 0 40 DDAB Cc1noc(C)c1CN1CCC(NC(=O)[C@H]2CCCO2)CC1 98211942 OURDCLILUQXESE-OAHLLOKOSA-N 307.394 1.551 0 40 DDAB Cc1ccc(CCC(=O)N(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)o1 85295395 MRDLCTHWDRIHRR-KGLIPLIRSA-N 313.419 1.945 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3F)C[C@]23C=C[C@H]1O3 4099744 NRDULVCAICMSGX-OQMKEHIESA-N 303.289 1.192 0 40 DDAB CCc1n[nH]c([C@H]2CN(Cc3csc(COC)n3)CCO2)n1 89289851 KZLFUFUZODCUGM-LLVKDONJSA-N 323.422 1.544 0 40 DDAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CNC(=O)N3)cn2)cc1 89637087 WBCWAUABJLXHRN-CYBMUJFWSA-N 312.329 1.802 0 40 DDAB O=C(NC[C@H](O)C1CCOCC1)c1c(F)cccc1Cl 89768011 DKCGZBFSJUCLDG-LBPRGKRZSA-N 301.745 1.996 0 40 DDAB CC(C)n1cc(S(=O)(=O)N[C@H](CO)c2ccccc2)cn1 89894067 QFWONUOJDWMJNR-CQSZACIVSA-N 309.391 1.476 0 40 DDAB COC[C@@H](O)CN1CCC(NCc2ccccc2OC)CC1 89800810 ASKZPYPSOCYUCW-INIZCTEOSA-N 308.422 1.257 0 40 DDAB CC(C)N(CCNC(=O)CN1CCCCCCC1=O)C1CC1 89869569 YVZIPTCTPBBGNN-UHFFFAOYSA-N 309.454 1.768 0 40 DDAB C[C@H](NC(=O)COc1ccccc1CC(N)=O)c1ccccc1 89905646 XWUCTZXOBVQPTF-ZDUSSCGKSA-N 312.369 1.971 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 75606706 MVUWXAWGSHVUBQ-GDBMZVCRSA-N 315.417 1.246 0 40 DDAB CN1C[C@@H](NC(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCC1=O 76087185 KJAOFXVTCIQGPE-LSDHHAIUSA-N 322.453 1.171 0 40 DDAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 76068508 DJWCVOAJCGVYNV-BFYDXBDKSA-N 316.401 1.858 0 40 DDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 76058516 RBWGWQAFSHKLGF-XHDPSFHLSA-N 310.419 1.335 0 40 DDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccoc2C)no1 548021708 PFGRFPWQDUYCAM-RYUDHWBXSA-N 322.340 1.622 0 40 DDAB CCOC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218447825 HSKRTJBWZWQIEF-MELADBBJSA-N 317.838 1.832 0 40 DDAB COC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(C(F)F)o1 32624751 JHSNKUHQKHXDHR-MRVPVSSYSA-N 311.244 1.651 0 40 DDAB COC(CNc1ncncc1I)OC 217592059 TVZWIMKJOOKAKO-UHFFFAOYSA-N 309.107 1.112 0 40 DDAB O=S(=O)(Nc1ncn(Cc2ccccn2)n1)c1ccccc1 78556790 ZWKRXHSKNICMSP-UHFFFAOYSA-N 315.358 1.522 0 40 DDAB CCOC(=O)N1c2ccccc2S[C@H]2CS(=O)(=O)C[C@@H]21 217355939 XLZZRDWIADKFOT-JQWIXIFHSA-N 313.400 1.921 0 40 DDAB O=C(O)CNC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391525 YNTSUCBVGRWVSZ-AWEZNQCLSA-N 306.362 1.709 0 40 DDAB COCCS(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 77373606 MAKNVPZORXNTAO-CYBMUJFWSA-N 309.391 1.676 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccccc1 72239961 KBVLAMHLAZWPBS-JTQLQIEISA-N 323.399 1.122 0 40 DDAB O=C(CO)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 72354361 CATHEXZDKFXDQE-LBPRGKRZSA-N 313.361 1.314 0 40 DDAB Cc1cc(Br)cc(C(=O)NC[C@]2(O)CCOC2)c1 184817157 UMOAYQRBEBVMKW-CYBMUJFWSA-N 314.179 1.639 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 225387701 MMJHPMJPDLPUAS-NSHDSACASA-N 317.349 1.119 0 40 DDAB O=C(NCCc1c[nH]cn1)c1ccnc(O[C@H]2CCSC2)c1 225724025 NVAVDHVEZKEMNS-ZDUSSCGKSA-N 318.402 1.662 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)C1=CCCC1)C2 96198603 KCPJHHKITRKOIH-CQSZACIVSA-N 316.405 1.778 0 40 DDAB CN(C(=O)CCC(F)(F)F)[C@H]1CCC[C@@H]1S(C)(=O)=O 96461171 DJLAMPJUQVVLKF-IUCAKERBSA-N 301.330 1.753 0 40 DDAB Cc1noc([C@H]2CCN(C(=O)N[C@H]3C[C@@H](OC(C)C)C3)C2)n1 333548909 FHZNHFFMLHGTAN-RWMBFGLXSA-N 308.382 1.833 0 40 DDAB Cc1cn2c(=O)c(C(=O)Nc3nnc(C)s3)cnc2s1 95477898 GMNVLLKWNQPQAL-UHFFFAOYSA-N 307.360 1.477 0 40 DDAB O=C(c1ccno1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072520 HBLSCGLLMVISTH-CZUORRHYSA-N 315.329 1.522 0 40 DDAB COC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1 96059096 VCAJXGAKRVOCQA-CYBMUJFWSA-N 300.362 1.505 0 40 DDAB C[C@H]1c2ccsc2CCN1c1ncc(S(N)(=O)=O)s1 96453267 PZUSLLCXKMQGGP-ZETCQYMHSA-N 315.445 1.976 0 40 DDAB c1csc(CN2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)n1 96208965 IKDVHWDCNHGGTK-IAQYHMDHSA-N 318.402 1.804 0 40 DDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCCO3)C2)n1 96217739 QHXBZSDTVYJLNK-RHSMWYFYSA-N 317.389 1.002 0 40 DDAB Cc1noc([C@@H]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3O2)n1 96070460 TUTKMPCRMHFCFE-WCFLWFBJSA-N 302.334 1.319 0 40 DDAB CCNC(=O)N[C@H]1CN(CCc2scnc2C)C[C@@H]1OC 95399446 QDRRURIKJOISIQ-RYUDHWBXSA-N 312.439 1.012 0 40 DDAB c1cc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)cs1 96054342 IXWYETDJMWFYDJ-XHSDSOJGSA-N 308.447 1.812 0 40 DDAB O=C1COC2(CCN(Cc3ccoc3)CC2)CN1CC1CC1 96201383 KCNHJTYQTLKLKQ-UHFFFAOYSA-N 304.390 1.883 0 40 DDAB COc1cccc2c1CCN(C(=O)NCc1ncnn1C)C2 97370231 LMKYKBHQSDZNSQ-UHFFFAOYSA-N 301.350 1.092 0 40 DDAB CN1CCN(CC(=O)NCC(F)(F)F)c2ccc(F)cc21 96443555 VHRKGRZIKMDYLQ-UHFFFAOYSA-N 305.275 1.760 0 40 DDAB CNc1cncc([C@H]2CCCN2Cc2cnc(OC)nc2)n1 257292616 QMHKAQIAMYIMNJ-CYBMUJFWSA-N 300.366 1.654 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@H](O)[C@]2(CCCO2)C1 257277769 NZGZBTRXMMMTTE-HOCLYGCPSA-N 309.337 1.347 0 40 DDAB COCC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 257266324 MCNBCHZXWBAAFP-HAQNSBGRSA-N 303.366 1.161 0 40 DDAB CN(C)c1cc(CC[C@@H]2CN(c3cnccn3)CCO2)ccn1 257333153 YAJBUDKGXWUJOO-OAHLLOKOSA-N 313.405 1.776 0 40 DDAB CO[C@H]1CN(C(=O)c2cc(CC(C)C)nn2C)C[C@@]12CCCO2 257200644 AEFGYMOVEKOSPN-RDJZCZTQSA-N 321.421 1.639 0 40 DDAB CN(C)Cc1cnc([C@H]2CN(CC3CCOCC3)CCO2)[nH]1 257270679 MVFRPTMPRVBXRK-OAHLLOKOSA-N 308.426 1.271 0 40 DDAB CO[C@H]1C[C@@H]2CN(C(=O)c3cccc4c3OCCO4)C[C@@H]2C1 257285706 PIJVNRYTDMBDNJ-ITGUQSILSA-N 303.358 1.955 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)O 262356964 BXHVERRITVJGMX-ZDUSSCGKSA-N 313.375 1.399 0 40 DDAB COc1ccc(C(=O)O)c(NS(=O)(=O)C[C@@H](C)OC)c1 282165191 HFJXDPZAIIJNGU-MRVPVSSYSA-N 303.336 1.170 0 40 DDAB CCn1cc(C(=O)N[C@@H]2CC[C@@H](OC)[C@@H]2O)c2ccccc21 585183679 XZRABAVLXPLTRF-FVQBIDKESA-N 302.374 1.929 0 40 DDAB Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CO 585097483 MGNXPZJFEBTJKP-OAHLLOKOSA-N 315.373 1.364 0 40 DDAB Cc1cc(C(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)cc(C)n1 585093378 SMHCWGIJJNVVME-OAHLLOKOSA-N 323.343 1.686 0 40 DDAB CCN(CC)CCCNC(=O)c1nn(CC(F)(F)F)cc1N 685936247 MQDOUFFDSCOPFB-UHFFFAOYSA-N 321.347 1.489 0 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Cc1cc(N[C@@H](Cn2cncn2)c2ccccc2)n2ncnc2n1 78334077 FMDIZOBWWNVQJB-AWEZNQCLSA-N 320.360 1.878 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)NCc3ccco3)cc21 74936311 BUYLSSPUOXWOTH-UHFFFAOYSA-N 322.342 1.113 0 40 DDAB CC(C)OCCCNc1ccc(S(N)(=O)=O)cc1C(=O)O 217535910 NMHTVYIBEOUTGC-UHFFFAOYSA-N 316.379 1.259 0 40 DDAB COc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 238933862 VHXDMZRJTKKYGW-VNQPRFMTSA-N 305.374 1.690 0 40 DDAB CC(C)N(CCN(C)C)C(=O)C(=O)Nc1c(F)cccc1F 130059157 SGGKJHMJJWMCKO-UHFFFAOYSA-N 313.348 1.702 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1 195532833 ZBMOHCXWKGKHDQ-MLGOLLRUSA-N 321.396 1.685 0 40 DDAB COC(=O)c1sccc1CN1CCN(c2cnn(C)c2)CC1 88537286 RKZODQPTVAUXEU-UHFFFAOYSA-N 320.418 1.590 0 40 DDAB COC(=O)COc1cccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 48308057 VFAYMCSXVBFETD-TXEJJXNPSA-N 322.361 1.880 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)c(F)c1 45896197 AHZXNHHKTHXYPN-LBPRGKRZSA-N 321.287 1.803 0 40 DDAB COc1cccc([C@H](CC(=O)O)NC(=O)c2snnc2C)c1 572457126 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C[C@H](C(=O)Nc1nnn[nH]1)c1ccc(C[C@H]2CCCC2=O)cc1 95479913 TXVHZVJHBCFMLT-GXFFZTMASA-N 313.361 1.854 0 40 DDAB O=C(N[C@@H]1COCCC12CCN(c1ncccn1)CC2)C1CC1 96218983 XOTKFXPDVLPCFP-CQSZACIVSA-N 316.405 1.378 0 40 DDAB C[C@](NC(=O)C[C@H]1CCCO1)(C(N)=O)c1cccc(Cl)c1 96454813 CLOURIPATSSGDL-IUODEOHRSA-N 310.781 1.726 0 40 DDAB CN1CC[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96201950 SRMVPEDWLYGBLQ-SFHVURJKSA-N 313.401 1.962 0 40 DDAB COCCN1CCC2(CCC(=O)N2Cc2cccc(C)n2)CC1 96075433 QTQBCQNRGVBXKL-UHFFFAOYSA-N 317.433 1.993 0 40 DDAB O=C(c1ccncc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96099690 RIDHOQNVIQBUJC-UHFFFAOYSA-N 320.345 1.519 0 40 DDAB Cc1cccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)n1 96044177 HRTAABFRCAJNII-OAHLLOKOSA-N 323.404 1.510 0 40 DDAB CN(CCn1cnnc1)C(=O)c1ccnc(OC2CCC2)c1 90063463 IVROSKMCOTTXEX-UHFFFAOYSA-N 301.350 1.377 0 40 DDAB CCCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 243104632 JCYNSECEBYZOTA-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB O=C(O)c1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cc1 257251095 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C[C@@H](CNC(=O)Nc1nnc(C2CC2)s1)N1CCOCC1 43359600 KCYPGTCGARQDFE-VIFPVBQESA-N 311.411 1.258 0 40 DDAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)no1 49027076 FZYINNVTICCOKU-UHFFFAOYSA-N 313.379 1.126 0 40 DDAB COc1ccc(CCC(=O)NCC(=O)Nc2cn[nH]c2)cc1F 51414147 IFEWUBFIXCOZBV-UHFFFAOYSA-N 320.324 1.245 0 40 DDAB C[C@H](CN1CCN(C)CC1)NC(=O)N1CCCC(C)(C)CC1 74134101 GEAKTQRGFNQNIU-OAHLLOKOSA-N 310.486 1.844 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1 75132178 METFYDRTSDPZCC-CQSZACIVSA-N 305.382 1.401 0 40 DDAB CO[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 75602549 QGXAYRKEQLABFL-GJZGRUSLSA-N 300.362 1.829 0 40 DDAB Nc1ccc(Br)cc1S(=O)(=O)N1CCOCC1 37928651 CJUWCXPTNIDYCC-UHFFFAOYSA-N 321.196 1.052 0 40 DDAB in-vitro C[C@@H](CS(C)(=O)=O)N(C)C(=O)CSc1ccccc1 78652140 LHOYIORJVXTUGU-NSHDSACASA-N 301.433 1.670 0 40 DDAB Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)s1 84205392 UJTIFYFPEIORAL-HUUCEWRRSA-N 308.447 1.657 0 40 DDAB COc1ccccc1OCC(=O)NC[C@@]1(OC)CCSC1 96097592 XOFJFCMLCRYUDT-HNNXBMFYSA-N 311.403 1.712 0 40 DDAB CCCc1nnc(NCc2cnc(N3CCN(C)CC3)nc2)o1 97045413 SVRMRZJQXOQWRG-UHFFFAOYSA-N 317.397 1.176 0 40 DDAB Cc1nc(N2CCN(C(=O)C(F)F)CC2)ncc1-c1ccno1 12741578 DFSWDGLGKMHCAH-UHFFFAOYSA-N 323.303 1.354 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC(C)C)n2)o1 19216712 RAIXGHBTUFFCJN-JTQLQIEISA-N 304.350 1.480 0 40 DDAB Cc1noc(C)c1CC(=O)N1CC[C@H](C(=O)N2CCCCC2)C1 19747923 RGIIUQCXJKTODM-AWEZNQCLSA-N 319.405 1.695 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H](C)NC(N)=O 107588622 WHOULRXBRSXGDA-AAEUAGOBSA-N 304.394 1.300 0 40 DDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2cc(C)on2)C1 225493906 WMLNFHHLINDWQE-NSHDSACASA-N 318.333 1.465 0 40 DDAB C[C@H]1CCc2nc(NC(=O)CN3C(=O)CCC3=O)sc2C1 4078707 LDXPKRTYCWDRCA-QMMMGPOBSA-N 307.375 1.355 0 40 DDAB O=C(c1cc2c(nn1)CCCC2)N1CCN(c2ncccn2)CC1 1888859982 HLXQKRZBNPTFRS-UHFFFAOYSA-N 324.388 1.108 0 40 DDAB Cc1nc(C)c(C)c(N2CCN(c3ccn4nccc4n3)CC2)n1 1888865777 XJESCIGRTWPELB-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB O=C([C@H]1CN(c2ncnc3ccsc23)CCO1)N1CCCC1 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O=C(CN1CCN(Cc2cccs2)CC1)NC1CCCC1 22933214 ZMGJFBPPZSRPPU-UHFFFAOYSA-N 307.463 1.925 0 40 DDAB O=C(O)[C@]1(O)c2ccccc2C(=O)[C@@]1(O)CC=C(Cl)Cl 1570270 OOVCCRDLVFBHOI-QWHCGFSZSA-N 317.124 1.595 0 40 DDAB CO[C@H]1C2=CC=CC=C[C@@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 1578331 WYXFMBIUOJXKLZ-GJZGRUSLSA-N 309.325 1.553 0 40 DDAB Cc1cc(C)nc(NCCC(=O)Nc2n[nH]c(C(C)C)n2)n1 79491696 QANYMWMESSHHPL-UHFFFAOYSA-N 303.370 1.776 0 40 DDAB CN(CC(=O)N1CCCCCCC1)C1CCS(=O)CC1 79462881 YIVABCQQRLWOBI-UHFFFAOYSA-N 300.468 1.622 0 40 DDAB C=CC(=O)O[C@@H](C)COC[C@H](C)OC[C@@H](C)OC(=O)C=C 6020880 ZDQNWDNMNKSMHI-RWMBFGLXSA-N 300.351 1.644 0 40 DDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 6596824 DQPLKAWMAXFKRA-UHFFFAOYSA-N 312.435 1.922 0 40 DDAB COCc1cccc(CNC(=O)N2CCC(C(N)=O)CC2)c1 42949364 MFQAOTDOMMKGLG-UHFFFAOYSA-N 305.378 1.240 0 40 DDAB COCCCn1c(SCC(=O)c2ccccc2)n[nH]c1=O 7348694 AENDIJQRHYNPQW-UHFFFAOYSA-N 307.375 1.583 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCC[C@H]2CCCO2)c1 24433581 MLFVURQDFUDQOL-GFCCVEGCSA-N 313.375 1.321 0 40 DDAB CCNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 55328872 WKIYMFZAFYWUJR-UHFFFAOYSA-N 318.465 1.904 0 40 DDAB COC(=O)COc1ccc(C(=O)Cc2ccccn2)c(O)c1 1318150 CSEUZYMWIWAZSK-UHFFFAOYSA-N 301.298 1.764 0 40 DDAB biogenic O=C(CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccncc1 106518861 DIKILDWNCGCBGJ-KKUMJFAQSA-N 301.390 1.640 0 40 DDAB O=Cc1ccccc1C(=O)OCN1C(=O)c2ccccc2C1=O 3282293 SSZAJMQSELXHOK-UHFFFAOYSA-N 309.277 1.910 0 40 DDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cn1 25308863 BXCDXPZVPVGPTR-AWEZNQCLSA-N 312.373 1.450 0 40 DDAB Cc1nnc(CN(C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1C 107147235 VBHBZCSYJOKCFH-CHWSQXEVSA-N 315.421 1.821 0 40 DDAB CCCOC(=O)C[C@H]1C(=O)NN=C2c3ccccc3N=CN21 9644559 OAQHYMKOBQHXSD-LBPRGKRZSA-N 300.318 1.165 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNCC(=O)NCc2ccco2)o1 97159281 ZHRJMJJTIWDDPL-UHFFFAOYSA-N 314.345 1.977 0 40 DDAB COc1cc(C(=O)O[C@H](c2cnn(C)c2)C(F)(F)F)on1 97108915 CMJAYANYELAYPO-SECBINFHSA-N 305.212 1.877 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccsc2)cc1 26789614 SSRMKNNSVIJIBQ-UHFFFAOYSA-N 318.354 1.903 0 40 DDAB CCOC(=O)N(C)CC(=O)N1CCN(C)C[C@H]1c1ccccc1 48160291 CJQOTFSEPZKCRM-HNNXBMFYSA-N 319.405 1.590 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 48234373 YLLIGOSVNLZNEK-RISCZKNCSA-N 318.373 1.646 0 40 DDAB CCNC(=O)CNC(=O)c1sc2nc(C)nc(C)c2c1C 48290809 VAXUKUVWVFQAAY-UHFFFAOYSA-N 306.391 1.482 0 40 DDAB O=C(CCN1CCSC1=O)NCC(=O)Nc1ccc(O)cc1 58009862 NPGVMDVWMBNXEU-UHFFFAOYSA-N 323.374 1.006 0 40 DDAB CCCNC(=O)NC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2O1 58225365 DHTSYCKLQFHCQM-ZDUSSCGKSA-N 319.405 1.594 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2nnc(C)s2)c1 28047654 UHOZRAINBRZJNZ-UHFFFAOYSA-N 315.376 1.665 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccncc2)CC1 45056052 KHYQCPCYYIBWAK-UHFFFAOYSA-N 311.389 1.640 0 40 DDAB Cc1cccc(C(=O)NCc2nnc(S)n2C2CC2)c1O 108897224 FHVDCMMPPQFUFM-UHFFFAOYSA-N 304.375 1.846 0 40 DDAB O=C(CN1C[C@H](O)C[C@H]1C1CCCCC1)NC[C@@H]1CCCO1 84543902 XYWGZSMHGNOPGX-PMPSAXMXSA-N 310.438 1.297 0 40 DDAB Cc1ccc(-c2nnc(SCC(=O)NCC(C)C)n2N)cc1 3345225 ZRTHQIZTKOHLRY-UHFFFAOYSA-N 319.434 1.832 0 40 DDAB O=C1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCN1 3332824 ZOWFDEMDXQEBFO-UHFFFAOYSA-N 301.268 1.076 0 40 DDAB O=C(NCCc1nnc2ccccn12)C1=Cc2ccccc2OC1 48342673 OLLIKODOCHIITG-UHFFFAOYSA-N 320.352 1.864 0 40 DDAB O=C1NCCCC[C@H]1Sc1n[nH]c(=O)n1Cc1ccccc1 11670077 HBDSGGFKMGLOND-GFCCVEGCSA-N 318.402 1.381 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 46492018 DAFVVQQESWTXGC-TZMCWYRMSA-N 316.357 1.765 0 40 DDAB Cc1nc(SCC(=O)N2CCOCC2)nc2c1CCCC2 12176541 YWYIEJYXFJLGGE-UHFFFAOYSA-N 307.419 1.615 0 40 DDAB CNC(=S)NNc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4136637 JQMGAYFSDTWYIB-UHFFFAOYSA-N 309.420 1.284 0 40 DDAB CCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc2c1=O 5157751 LPTBHJNBGGSQKT-UHFFFAOYSA-N 322.368 1.840 0 40 DDAB CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1 39984829 IGJUEQYBNFMGBM-UHFFFAOYSA-N 309.347 1.534 0 40 DDAB C[C@@H](C(N)=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 65474847 MYZAOYGHNFHAMW-NSHDSACASA-N 304.369 1.954 0 40 DDAB CNC(=O)[C@@H]1CCCCN1Cc1nc(-c2cccs2)no1 65607115 NQIZQKPLDCKBSP-JTQLQIEISA-N 306.391 1.899 0 40 DDAB Cc1cc(N[C@]2(C(F)(F)F)N=C3SCCN3C2=O)no1 4624954 YYZIJSJBNYKSDZ-VIFPVBQESA-N 306.269 1.599 0 40 DDAB NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6889154 QTZXVKMDPDVILG-UHFFFAOYSA-N 312.391 1.162 0 40 DDAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 6847399 FJUQTIWEBLERLG-CHWSQXEVSA-N 317.341 1.741 0 40 DDAB CC1(C)CO[C@@H](c2ccccc2)CN1CCC(=O)NC(N)=O 67230886 ZMQXCVLASYCDST-CYBMUJFWSA-N 305.378 1.424 0 40 DDAB COCCN(CC(=O)O)C(=O)c1cccc(-n2cccn2)c1 95424438 GSBDNXZNEXIWJC-UHFFFAOYSA-N 303.318 1.046 0 40 DDAB C[C@H]1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)C[C@H](C)O1 71846766 AABHTOCTJZIQMS-RYUDHWBXSA-N 317.345 1.139 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1Cn1cccn1 70040717 CPTHCYHYUJLYJX-AWEZNQCLSA-N 301.394 1.467 0 40 DDAB COCCN1CCN(Cc2ccc(Br)cn2)CC1 70019148 VYKPUTHDESKJAC-UHFFFAOYSA-N 314.227 1.608 0 40 DDAB CC(=O)Nc1ccc(C)cc1OCC(=O)NC(=O)NC(C)(C)C 70039514 AXQOGMGHTIOTQL-UHFFFAOYSA-N 321.377 1.957 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc3sccc3c2=O)C1 8313101 IBCSJMUCOWJQBX-GHMZBOCLSA-N 305.403 1.963 0 40 DDAB C[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 95408905 NJQAKGILDAJCOP-FZMZJTMJSA-N 319.380 1.819 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc3ccccc3c(=O)[nH]1)C2 69486240 GMEOYZKZEKXAST-UHFFFAOYSA-N 323.356 1.338 0 40 DDAB O=C(CC(F)(F)F)NCCNC(=O)c1n[nH]c2ccccc12 69527571 RHFQMSXZIKQYCW-UHFFFAOYSA-N 314.267 1.361 0 40 DDAB O=C(CSCc1ccccn1)NC[C@H]1CCN(C2CC2)C1 69587920 GUDYGEFKAHJJRO-CYBMUJFWSA-N 305.447 1.915 0 40 DDAB Cc1cc(C)n2ncc(CN(C)C[C@H](C)N3CCOCC3)c2n1 67981950 BWZNBXAIVIPWFB-HNNXBMFYSA-N 317.437 1.499 0 40 DDAB CC(C)(C)NC(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408974761 DMZLMMMALOQKNH-UHFFFAOYSA-N 324.340 1.806 0 40 DDAB Cc1cnn(CC(=O)N2CCCN(Cc3cscn3)CC2)c1 69779845 OZLDYZRFPQBYAX-UHFFFAOYSA-N 319.434 1.383 0 40 DDAB C[C@H]1C[C@H](N2CCCN(C(=O)CC3CCCC3)CC2)C(=O)O1 69707580 GDMMESZDUMZGSG-ZFWWWQNUSA-N 308.422 1.805 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)S1 73119425 UBJBSFAVJHMLJO-JTQLQIEISA-N 324.837 1.984 0 40 DDAB CC(C)(C)c1ccc(C(=O)NCCCS(N)(=O)=O)s1 95966887 UQHHTCHHOMNXSX-UHFFFAOYSA-N 304.437 1.454 0 40 DDAB Cc1nc(CCSc2nnnn2C[C@H]2CCCO2)cs1 95981503 HFBIXRIPVDOQKF-LLVKDONJSA-N 311.436 1.952 0 40 DDAB CNS(=O)(=O)Cc1cccc(CNc2ncc(C)c(C)n2)c1 95978501 OLYXEOVMZCRZPE-UHFFFAOYSA-N 320.418 1.755 0 40 DDAB COC(=O)[C@@H]1CCN(C(=O)Cc2ccon2)c2ccccc21 89226663 YAOPBPXFFWNAPN-CYBMUJFWSA-N 300.314 1.911 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C)C[C@@H]2C)c1 89623990 RILIKCRSMRCDNR-HNNXBMFYSA-N 310.463 1.713 0 40 DDAB COc1ccc(-n2ccc(C(=O)N[C@@H](C)CC(C)=O)n2)cc1 89894478 HRPOXLXPRZKWJG-NSHDSACASA-N 301.346 1.978 0 40 DDAB CC[C@@H](NC(=O)c1noc(C)n1)c1nnc2n1CCCCC2 89948061 CSZPOKCDXPCMHX-SNVBAGLBSA-N 304.354 1.577 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)CN1CCCC1=O 65478133 KGBDJBGAJMSDHG-ZDUSSCGKSA-N 321.469 1.710 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 65364203 QGEWJFXRHVWEEL-IACUBPJLSA-N 314.451 1.353 0 40 DDAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 408723090 MSZMPUDNYCQYOT-VWPFQQQWSA-N 313.309 1.445 0 40 DDAB Cn1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)n1 524732734 XWRHAMXBBIXHOG-SNVBAGLBSA-N 303.351 1.086 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN(C2=NC[C@H](C)S2)CC1 73119428 PKGISVDOFPCDEQ-JTQLQIEISA-N 322.434 1.795 0 40 DDAB CS(=O)(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 38752003 HXFAEUPBEYVGTH-CQSZACIVSA-N 324.402 1.226 0 40 DDAB CN(C[C@@H](O)COCc1ccccc1)c1ncnc2[nH]ncc12 79002670 QDXMVBYHRZWYBB-CYBMUJFWSA-N 313.361 1.367 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 78609836 IERDXCOVLQLKLK-ZDUSSCGKSA-N 319.380 1.763 0 40 DDAB O=C(NCCCO)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646432 XGJPOKIXOPWAAS-UHFFFAOYSA-N 324.686 1.796 0 40 DDAB CN(C)CC(=O)N1CCC(c2cccc(-n3ccnc3)n2)CC1 72379018 KKRNKLZEZMODLG-UHFFFAOYSA-N 313.405 1.535 0 40 DDAB CCN([C@@H]1CCOC(C)(C)C1)S(=O)(=O)Cc1ccon1 329474476 ZXFUFEOBUPRWEG-GFCCVEGCSA-N 302.396 1.784 0 40 DDAB C[C@H]1CN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)C[C@@H](C)S1 195531379 IIJCJXIJPOCGQT-XQQFMLRXSA-N 323.466 1.534 0 40 DDAB CN(C)c1ncccc1CNC1CN(C(=O)OC(C)(C)C)C1 195573180 BLNSVXSAPHVAQJ-UHFFFAOYSA-N 306.410 1.857 0 40 DDAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)N1CCCC1 225753612 ACNQCDKOPBUSPU-UHFFFAOYSA-N 307.375 1.772 0 40 DDAB O=C(Nc1cccc(N2C(=O)CCNC2=O)c1)[C@@H]1CCCO1 225658912 GYHNVSIKHSVEBE-LBPRGKRZSA-N 303.318 1.250 0 40 DDAB COc1cncc(O[C@H]2CCN(C(=O)c3ccsc3)C2)n1 225394195 PHQNLQFCPFJALH-NSHDSACASA-N 305.359 1.840 0 40 DDAB CC(C)(C)OC(=O)NCCCCCCNC(=O)/C=C/C(=O)O 83253980 RUZIVPSDSPCJMP-CMDGGOBGSA-N 314.382 1.829 0 40 DDAB Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c(F)cc1F 84674365 GLCLCENXNQPYGF-NSHDSACASA-N 318.389 1.845 0 40 DDAB O=C(/C=C\c1cccnc1)NCc1nc(-c2ccc[nH]c2=O)no1 225803930 CTVRUGJTCAQQQF-WAYWQWQTSA-N 323.312 1.150 0 40 DDAB C[C@](O)(CNC(=O)Nc1nnc2ccccn12)c1cccs1 96418062 IYQSNKLFPJHDGB-AWEZNQCLSA-N 317.374 1.820 0 40 DDAB CN(C)CCN1CCC[C@]12CCCN(C(=O)c1cccnc1)C2 96214688 SZDGVQLDNQPWJO-SFHVURJKSA-N 316.449 1.714 0 40 DDAB Cc1cc[nH]c(=O)c1C(=O)NCc1nccn1Cc1ccccc1 96499920 ZJDYPUBLCJANBB-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB O=C1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1 96075388 OBCFWIYXGKUXSK-UHFFFAOYSA-N 312.366 1.259 0 40 DDAB CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccsc3)C[C@@H]21 96182597 WBCGQCJDEJVNMS-OAGGEKHMSA-N 319.474 1.779 0 40 DDAB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3nccs3)C[C@H]21 514290262 WXLOGGCOKOVTRK-NEPJUHHUSA-N 316.386 1.256 0 40 DDAB biogenic,in-vitro COC(=O)/C(=C\N(C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 96511647 HVZILTLANMFTBK-YRNVUSSQSA-N 321.757 1.829 0 40 DDAB Cn1ccnc1N1CCN(C(=O)CSc2ccccc2)CC1 96418678 JGXJZSGRAUOAOP-UHFFFAOYSA-N 316.430 1.861 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccoc4)C[C@@H]23)n1 96057246 OIHYUEQGLGCJJQ-KFWWJZLASA-N 303.362 1.908 0 40 DDAB COCCCN1CCCC12CCN(C(=O)c1cnccn1)CC2 96075274 VHXLEFRUORLTCN-UHFFFAOYSA-N 318.421 1.584 0 40 DDAB CCN(CC)[C@@H]1CCO[C@]2(CCN(C(=O)c3ccnn3C)C2)C1 96207359 KRXBBIODYVXNAJ-RHSMWYFYSA-N 320.437 1.526 0 40 DDAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)Nc1ccc(F)cc1 96245810 DXIROVPFKPYTTR-KBPBESRZSA-N 321.352 1.679 0 40 DDAB CCS(=O)(=O)NCC(=O)N[C@H](C)Cc1cccc(Cl)c1 95442530 DNJGCAKTZNFRHR-SNVBAGLBSA-N 318.826 1.327 0 40 DDAB O=C(c1ccno1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 97954352 WMBRTIXHGHYYJA-MNOVXSKESA-N 303.343 1.756 0 40 DDAB CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)Nc3cccnc3C)[C@H]2C1 96043514 BGTKYEWCQNENBB-IIAWOOMASA-N 317.389 1.602 0 40 DDAB Fc1cnc(N2CCC3(CC2)C[C@H](N2CCOCC2)CO3)nc1 96063063 YQCAORMHJAPLJK-AWEZNQCLSA-N 322.384 1.076 0 40 DDAB Cc1cnc(N2C[C@H]3CCN(c4cnn(C)c4)C(=O)[C@H]3C2)nc1 248109562 GUFINAYCCXZSOK-OCCSQVGLSA-N 312.377 1.008 0 40 DDAB CS(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccc(F)c3)[C@H]2C1 247499300 FAESYMQFHBMSGH-TUKIKUTGSA-N 313.394 1.705 0 40 DDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)C2CC2)C1 257221120 DNOVNGGIBMOMPF-JTQLQIEISA-N 311.407 1.004 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1 257316609 VGHBBIDOUYRPLK-HNNXBMFYSA-N 316.361 1.658 0 40 DDAB CCCS(=O)(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257303700 SIIXZLJQRDFSMI-ZDUSSCGKSA-N 313.423 1.261 0 40 DDAB NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 257260583 LDMQTCFWQIMCCT-UHFFFAOYSA-N 312.373 1.117 0 40 DDAB Cc1nccc(C[C@H]2COCCN(C(=O)c3cccnc3)C2)n1 257331482 XTAWJLQLAKYDDZ-CQSZACIVSA-N 312.373 1.511 0 40 DDAB COc1ccccc1[C@H]1CN(S(=O)(=O)C(C)C)CCN1C 257232881 GMVDURDROQGSEN-CQSZACIVSA-N 312.435 1.722 0 40 DDAB Cc1ccnc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)n1 390825923 QJNBPFPTLSBUBR-ZDUSSCGKSA-N 314.345 1.990 0 40 DDAB CSCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575402501 BQLLWOGQFLSQJF-LBPRGKRZSA-N 308.403 1.583 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC(C)(C)O1 68462616 HUPGRYLUQWABKD-UPJWGTAASA-N 304.456 1.708 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1C 44456956 ZTYNFYZSBIZIEW-LBPRGKRZSA-N 317.432 1.016 0 40 DDAB Cc1nc(CCNC(=O)NC[C@@H](C)N2CCOCC2)cs1 44953638 DWIONCZNDGSLGC-LLVKDONJSA-N 312.439 1.014 0 40 DDAB Cc1ccc(OCC2CCN(C(=O)c3cn[nH]c3)CC2)nn1 1775995413 UQJKSPVTCQSLRI-UHFFFAOYSA-N 301.350 1.439 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1Cc2ccccc2O1 48367396 SOUFVBTUUBOUDL-UKRRQHHQSA-N 319.405 1.010 0 40 DDAB NC(=O)[C@@H]1CCN(CC(=O)N(Cc2cccs2)C2CC2)C1 52962046 VGPRMHGWQQMJIE-LLVKDONJSA-N 307.419 1.046 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 100082915 ISABKYQVAFBZOM-VDUILEQBSA-N 301.298 1.846 0 40 DDAB CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1N(C)C 89314141 XMFQMSUTMWVHOY-OLZOCXBDSA-N 318.439 1.492 0 40 DDAB COCCCNc1cc(C)nc2cc(-c3nccn3C)nn12 105743512 LMIPHJDMVFKDEF-UHFFFAOYSA-N 300.366 1.887 0 40 DDAB Cc1occc1-c1nn(CC(=O)NC2CCCCC2)c(=O)o1 12154192 RTVCRPIPPSKDOS-UHFFFAOYSA-N 305.334 1.854 0 40 DDAB CO[C@H]1CCN(c2ccc(C(=O)NCc3nc(C)no3)cc2)C1 206767789 QLXRCTKJZDFBJK-AWEZNQCLSA-N 316.361 1.533 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238935173 VLATWJRZYFQLHR-JGVFFNPUSA-N 305.256 1.583 0 40 DDAB Cc1ccc(N2C[C@H](NC(=O)N3CCC(O)CC3)CC2=O)cc1 4359958 XCZCPBJXHLXKAT-CYBMUJFWSA-N 317.389 1.267 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCCCC1)C2=O 4308880 TUKUYSPIVTWMNM-SUMWQHHRSA-N 321.421 1.890 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](C(=O)O)C1 19775055 ZQPOYKJRBDAWIC-TZMCWYRMSA-N 302.374 1.761 0 40 DDAB Cc1cc(C)n(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 22136423 DEGBRXDGMLNSEM-UHFFFAOYSA-N 302.378 1.512 0 40 DDAB O=C(O)CN(Cc1ccccc1)C(=O)CN1CCCCCC1=O 262090062 CNPGHCWJKKXFER-UHFFFAOYSA-N 318.373 1.502 0 40 DDAB Cn1c(=O)c2c(Nc3cccc(F)c3)ccnc2n(C)c1=O 12227449 LIVIRBHLPRJLLZ-UHFFFAOYSA-N 300.293 1.515 0 40 DDAB Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(N)=O)c2n1 20945484 YECHYVFIPULYEN-UHFFFAOYSA-N 321.336 1.421 0 40 DDAB Cn1cc(-c2ncccc2CNC(=O)c2ccncc2F)cn1 575619542 VQZFOSKNRCRNNH-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB CC(=O)N[C@H](Cc1c[nH]c2ccc(Cl)cc(=O)c12)C(=O)O 2332243200 YPZLGAUHJDXLHH-LLVKDONJSA-N 308.721 1.313 0 40 DDAB COCCn1cc(NC(=O)[C@@H]2COc3ccccc3O2)cn1 40134617 YBSSSAOIZIRACN-AWEZNQCLSA-N 303.318 1.308 0 40 DDAB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](CC4=O)[C@@H]3C2=O)c1 100812953 KWAXNMVQELENOS-VZAMPYOESA-N 311.337 1.587 0 40 DDAB C[C@@H](CNC(=O)c1cncn1-c1ccccc1)N1CCOCC1 40509884 SYDSVMLTVNOJQO-AWEZNQCLSA-N 314.389 1.323 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C[C@@]23C=C[C@H]1O3 101348583 REMMNNPQNTXVGQ-ZAZJYDDPSA-N 323.707 1.850 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCC(N2CCNC2=O)CC1 52217748 SXCFQRHOXRINRC-SNVBAGLBSA-N 305.382 1.498 0 40 DDAB O=C(CN1CCSC1=O)Nc1ccc(N2CCCC2)nc1 22390025 RABPOHYJLUZIFO-UHFFFAOYSA-N 306.391 1.789 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CCCCN3C)C2)n1 72277963 AQBBWDTXHJAPBE-HUUCEWRRSA-N 305.426 1.543 0 40 DDAB CCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1 410556 VOKAQHRFCIVGNQ-UHFFFAOYSA-N 305.363 1.626 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 8981833 CRNLHSHCYZWZKK-UHFFFAOYSA-N 319.342 1.210 0 40 DDAB Cc1nnc([C@@H](C)N2CCO[C@H](CNc3cccnn3)C2)o1 78894006 UOEKOKYTQQCWBS-ZYHUDNBSSA-N 304.354 1.042 0 40 DDAB Cc1nc2c(s1)[C@@H](OC(=O)CCN1C(=O)CCC1=O)CCC2 79037462 CEVYGYRRRBCEJG-NSHDSACASA-N 322.386 1.911 0 40 DDAB CN1C(=O)NC(=O)[C@@](C)(C2(Br)CCCCC2)C1=O 1563473 DXIVZFGPYHBOQD-LLVKDONJSA-N 317.183 1.799 0 40 DDAB N[C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 1719790 KGXGNCWRTGFTGA-JKSUJKDBSA-N 301.298 1.877 0 40 DDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4355238 MQMXDYPEMPXICI-UHFFFAOYSA-N 314.382 1.363 0 40 DDAB C[C@@H]1CN(CC(=O)NC(=O)NCCC2=CCCCC2)C[C@@H](C)O1 23584269 ZVPPOLXIJBGPIQ-ZIAGYGMSSA-N 323.437 1.812 0 40 DDAB CCCCCCNC(=S)NNS(=O)(=O)c1ccccc1 6264053 PECMMTFZAZVAOV-UHFFFAOYSA-N 315.464 1.924 0 40 DDAB NC(=O)C1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 42948241 WFEXWPMQJFYTDS-UHFFFAOYSA-N 315.826 1.851 0 40 DDAB CCc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)OC)[C@@H]4C2=O)cc1 100293520 ARUOVFFUDMTDCH-FSZRXZPDSA-N 313.353 1.708 0 40 DDAB C[C@H](OC(=O)c1ccc(COCC(F)(F)F)cc1)C(N)=O 25051459 RGFBQHCUKMTNBY-QMMMGPOBSA-N 305.252 1.796 0 40 DDAB COc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1OC(C)C 8428725 IAYGQPRMTJXKKO-ZDUSSCGKSA-N 313.419 1.759 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 34863399 AFDVIDKDOGDGSP-NSHDSACASA-N 309.797 1.831 0 40 DDAB C[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc2c(c1)CCCC2 57597237 YDYINOWNYKTJIC-CYBMUJFWSA-N 315.417 1.174 0 40 DDAB COC(=O)C1(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)CC1 97146456 ANTXUCAXIMRBGB-ZDUSSCGKSA-N 308.422 1.853 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(C)on2)on1 44643119 YTLKCFJAVDWZKB-SECBINFHSA-N 313.335 1.221 0 40 DDAB CCCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)[nH]n1 25602623 OVURWIMEHZVRPA-UHFFFAOYSA-N 300.318 1.945 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 62132680 AQBKKJVLHFWXGI-VIFPVBQESA-N 303.767 1.744 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CCN(C3CC3)C1)C2 58280048 DVTCCRDLCHURQJ-KBPBESRZSA-N 316.401 1.599 0 40 DDAB CC[C@](C)(NS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 58268630 CORINHYHAWWDPE-AWEZNQCLSA-N 313.375 1.509 0 40 DDAB Cn1ncc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c1-n1cccc1 44941759 AIEYIBCIEHXNEI-HUUCEWRRSA-N 313.405 1.567 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1 44966654 YOBUPOZRXOXOMO-MNOVXSKESA-N 300.380 1.478 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2n1CCC2 58405355 CUDDTVMHJRBPSJ-NSHDSACASA-N 303.414 1.183 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(N)=O)cc1 10509869 IMNMZLGWEXBYMZ-UHFFFAOYSA-N 300.362 1.707 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C(N)=O)C2)cc1F 45102440 HMYABUACUXCXRA-MWLCHTKSSA-N 309.341 1.412 0 40 DDAB CN(CCOc1ccccc1)CN1C(=O)N[C@](C)(C2CC2)C1=O 23840824 WEUCGAKYCLXCQH-QGZVFWFLSA-N 317.389 1.675 0 40 DDAB Cc1c(C)n(C[C@H](O)CN2C(=O)CNC2=O)c2ccccc12 28297060 CPEHMQZGVRVJHH-LBPRGKRZSA-N 301.346 1.171 0 40 DDAB CC(C)CCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 36596390 ZDBRXCJAHJNHLV-CYBMUJFWSA-N 303.362 1.290 0 40 DDAB NC(=O)c1ccc(OCC(=O)N2CCc3ccc(F)cc32)cc1 59006952 VTYZQTIMIKJRPS-UHFFFAOYSA-N 314.316 1.893 0 40 DDAB COc1cc(/C=C/C(=O)OCC(=O)NC(C)(C)C)ccc1O 3332374 BYOGSRXMBPAMMI-SOFGYWHQSA-N 307.346 1.872 0 40 DDAB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(N=O)CC[C@@]341 100498313 NGNCKOKHKZDIHF-BKDCYOLVSA-N 314.341 1.553 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)C2CCCCC2)C1=O 3336819 IYTLDENWVSELQK-CYBMUJFWSA-N 309.410 1.744 0 40 DDAB O=C(NCCc1cccc(F)c1)NC[C@H]1CCS(=O)(=O)C1 45654205 UFPDAENRUNZQDG-GFCCVEGCSA-N 314.382 1.102 0 40 DDAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c1 11760412 WNBFKLKITSIIDH-CYBMUJFWSA-N 304.277 1.740 0 40 DDAB CCc1ccccc1O[C@H](C)C(=O)NCCN1CCOCC1 20034843 FCEMYXAXTMRCNG-CQSZACIVSA-N 306.406 1.465 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2C[C@@H]2C)C1=O 72781432 OXTKQCZOYPPCAP-KNHMANMVSA-N 301.346 1.531 0 40 DDAB O=C(Cc1ccccc1F)N1CCC[C@@H](N2CCNC2=O)C1 64373661 YOETVKBOPVPNBQ-CYBMUJFWSA-N 305.353 1.384 0 40 DDAB C[C@H]1CCO[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O 96005869 ANRGYWCPWYROOB-CPCISQLKSA-N 315.167 1.511 0 40 DDAB O=C(O)[C@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1 19775009 FQPFAQIIFAPXNJ-AWEZNQCLSA-N 302.374 1.762 0 40 DDAB Cc1noc(C)c1CNC(=O)CS(=O)(=O)C1CCCC1 65462810 JMGASNKZMFXRTQ-UHFFFAOYSA-N 300.380 1.265 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F 65435059 PLTAWQDGWPYZPC-IINYFYTJSA-N 324.331 1.583 0 40 DDAB NC(=O)[C@H](OC(=O)CN1CCCCCC1=O)c1ccc(F)cc1 14050674 WLHWENKRLYOENQ-OAHLLOKOSA-N 322.336 1.298 0 40 DDAB O=C(CN1CC[C@H](c2ccccc2)C1)N[C@@H]1CCCCNC1=O 65504171 XMIJAGVAOUHXCY-JKSUJKDBSA-N 315.417 1.261 0 40 DDAB NC(=O)Cn1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)n1 65862162 FRXNQGFUAJWRCX-UHFFFAOYSA-N 316.336 1.568 0 40 DDAB c1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 306129622 IILFKRPBRVPXCP-CVEARBPZSA-N 311.389 1.209 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CSc2nnnn2C)cc1C 6643434 BDVMRPHGNIYYTH-LLVKDONJSA-N 305.407 1.796 0 40 DDAB O=C(Nc1ncccn1)[C@H]1CC=CC[C@@H]1C(=O)Nc1ncccn1 5778616 JWINSKBVHSGJFT-RYUDHWBXSA-N 324.344 1.426 0 40 DDAB CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@@H]1CCS(=O)(=O)C1 23027830 XLKHXHQPYVCSEJ-YPMHNXCESA-N 311.428 1.349 0 40 DDAB COc1cccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)c1 6970702 IMVFZKHOBJFXNH-UHFFFAOYSA-N 313.357 1.346 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)n2nc(C)nc2C)cc1 4988310 AAQFADRWGLRXJK-LLVKDONJSA-N 308.407 1.743 0 40 DDAB COCCN(C)C(=O)[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1 96485849 CPFDMHXEWFAIGF-CYBMUJFWSA-N 316.405 1.884 0 40 DDAB CN(C)CCN(Cc1cccnc1)C(=O)NCc1cccnc1 71819332 IYKRTNUYDZNBOC-UHFFFAOYSA-N 313.405 1.750 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C2OCCO2)CC1 69265291 NPUAKRXVDGXTAS-UHFFFAOYSA-N 316.379 1.065 0 40 DDAB COC(=O)c1ccc(N[C@@H](C)c2ccc3c(c2)CC(=O)N3)nn1 69367654 CTOQVDBBRYXRRI-VIFPVBQESA-N 312.329 1.931 0 40 DDAB C[C@@H]1CN(c2ncnc3c2CCC3)CCN1Cc1nccn1C 69443583 RJCFXIMQVPULEH-CYBMUJFWSA-N 312.421 1.410 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)c1csnn1 69491904 TWLLLBUPCXLGRY-UHFFFAOYSA-N 305.359 1.662 0 40 DDAB C[C@H]1CN(C(=O)c2cccc(CS(C)(=O)=O)c2)C[C@H](C)O1 17326730 YEKROUYRYIFRRS-RYUDHWBXSA-N 311.403 1.481 0 40 DDAB COC(=O)c1cncc(C(=O)NCc2cccc(N(C)C)c2)c1 95451504 CPDXLKCBVWUREE-UHFFFAOYSA-N 313.357 1.864 0 40 DDAB CCc1ccc(N2CCC(NC(=O)CNC(=O)NC)CC2)cc1 95445136 JGKGCPYSYFRBDP-UHFFFAOYSA-N 318.421 1.263 0 40 DDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCc2[nH]ncc2C1 83996750 QZIISNYGOTZLOD-UHFFFAOYSA-N 315.377 1.297 0 40 DDAB C[C@H](NC(=O)NC1CCC(O)CC1)c1ccc(NC(N)=O)cc1 69808471 UEJLHXSAMAWINB-FNBIGBAISA-N 320.393 1.841 0 40 DDAB CC(C)(O)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 69928101 MDRVZYKCYWHPPG-UHFFFAOYSA-N 310.825 1.798 0 40 DDAB CN(C(=O)CCN1C(=O)CCC1=O)[C@H](CCO)c1ccccc1 95426760 ZJTPIINBDPGUDC-CQSZACIVSA-N 318.373 1.108 0 40 DDAB C[C@H](CC(=O)N1CCCCCC1)NCC(=O)NCC(F)(F)F 95421088 REMQESCSZFJGTO-LLVKDONJSA-N 323.359 1.436 0 40 DDAB O=S1(=O)CCCN1CCN[C@H]1CCCc2sccc21 89519314 JZEFXIWHBHXUHT-LBPRGKRZSA-N 300.449 1.751 0 40 DDAB CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 89598384 FDUWSBLHMFPYGJ-KCJUWKMLSA-N 309.840 1.731 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)CCCC(=O)c1ccc(F)cc1 75138042 LCPDMWMZZZUBRZ-CYBMUJFWSA-N 306.337 1.655 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCOCC(F)(F)F)c(=O)[nH]1 75111212 KVJRLYYPSWLHFN-UHFFFAOYSA-N 321.299 1.370 0 40 DDAB CCOC(=O)[C@@H]1OC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O 306145432 FGDNMSXKFKEVQG-SNVBAGLBSA-N 313.350 1.287 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCCN1CCCCCC1=O 69442785 QYJBRIMYPWPKTB-UHFFFAOYSA-N 307.442 1.287 0 40 DDAB OC[C@H]1CCC2(CCOCC2)CN1Cc1cn2cccnc2n1 528638298 HZXIWGVQDZMIFU-OAHLLOKOSA-N 316.405 1.483 0 40 DDAB Cc1cc(N2CCCCCC2)nc(C2CN(S(C)(=O)=O)C2)n1 72364805 CAVCVKORDPNGSS-UHFFFAOYSA-N 324.450 1.524 0 40 DDAB COC(=O)c1cn(C2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)nn1 184760041 CMCIZMPCKYPELV-MELADBBJSA-N 316.405 1.914 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(COC)C(=O)O)cc1 218424458 IVGWJKJLPGIBIW-NFAWXSAZSA-N 312.387 1.477 0 40 DDAB C[C@H](N)C(=O)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393037 AVEKLUSFGQYLRX-GXTWGEPZSA-N 305.378 1.251 0 40 DDAB NS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217535556 DLPJREHFKUHOMJ-UHFFFAOYSA-N 320.370 1.687 0 40 DDAB CCCCS(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36071034 QKVCQXJNCHNPJL-HNNXBMFYSA-N 322.430 1.558 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccccn3)cc21 74936356 PKQBZEHQQWRONN-UHFFFAOYSA-N 319.342 1.238 0 40 DDAB Cc1cnn(CCC(=O)NCC[S@@](=O)c2ccccc2)c1 78914708 SOJIGWFSIBFJKZ-NRFANRHFSA-N 305.403 1.506 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1cc[nH]n1 72385988 DGTSIWRTAISSOB-LBPRGKRZSA-N 309.395 1.368 0 40 DDAB O=C1O[C@H](C(=O)OCCCn2cccn2)Cc2ccccc21 78715152 VWTYZQNYQLJKQW-AWEZNQCLSA-N 300.314 1.598 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72238220 FGRVEIQHUIIFQA-NVXWUHKLSA-N 316.401 1.763 0 40 DDAB COCCCNC(=O)c1cc(C)nc(N2CCCCCC2)n1 72241494 INNKWPKHMYFLOZ-UHFFFAOYSA-N 306.410 1.932 0 40 DDAB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)cc1 71979982 VPUXQLXBXZAVAB-AWEZNQCLSA-N 318.373 1.343 0 40 DDAB Cc1cc(C)nc(N2CCN(C(=O)c3cncs3)CC2)n1 72368376 OQBHJHAYCXPVMH-UHFFFAOYSA-N 303.391 1.512 0 40 DDAB C[C@H]1CN(CCNC(=O)c2cnccc2C(F)(F)F)CCO1 565182913 SIZWMRPFBJVXDM-JTQLQIEISA-N 317.311 1.551 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(NC2CC2)nc1 69537729 UVYAYWHBQXKEMA-HUUCEWRRSA-N 316.405 1.249 0 40 DDAB Cc1cnc(C)c(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)n1 195563790 AXQREBGSFHUUEU-OAHLLOKOSA-N 317.437 1.084 0 40 DDAB C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N1CCOCC1 62885446 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Cc1nncn1CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 96445350 DWLQVNGQXJGEPA-GHMZBOCLSA-N 306.316 1.785 0 40 DDAB NS(=O)(=O)c1cccc(I)c1F 238627557 WZUROUJPKYRGNR-UHFFFAOYSA-N 301.080 1.078 0 40 DDAB Cc1cccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1 243714143 PNXTTYWKIDOBKV-UHFFFAOYSA-N 312.435 1.923 0 40 DDAB CCN(CC)C[C@@H]1CN(S(=O)(=O)C2CC2)Cc2cncn21 248248247 KQPOJWVPIURXPB-CYBMUJFWSA-N 312.439 1.074 0 40 DDAB CCN(CC)C[C@@H]1CO[C@@H]2CN(c3cc(N(C)C)ncn3)C[C@@H]21 248112399 KNHWNBZBORRFNE-RBSFLKMASA-N 319.453 1.336 0 40 DDAB O=C(Cc1cccc2ccccc12)N1CC(N2C(=O)CNC2=O)C1 253472633 OABVMWHHGAAKOD-UHFFFAOYSA-N 323.352 1.145 0 40 DDAB Cn1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(N)=O)s2)n1 257307870 TULAYBNXAHLGKE-SNVBAGLBSA-N 319.390 1.343 0 40 DDAB COc1cc(CCC(=O)N2CCO[C@H](c3ccncc3)C2)on1 257290145 QBTGKKMJTFWKNQ-AWEZNQCLSA-N 317.345 1.611 0 40 DDAB O=C(c1ncccn1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257326178 WWDFKNUQNPUFHU-LBPRGKRZSA-N 308.345 1.768 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)c1ccc2c(c1)CCO2 26263870 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COCC[C@H]1CN(CC(=O)N2CCCC2)Cc2cccn2C1 585095577 YWWDJTDHXOORAD-HNNXBMFYSA-N 305.422 1.579 0 40 DDAB Cc1nc(COC(=O)c2cnn(C)c2-n2c(C)ccc2C)no1 69776327 MCCCSFQBWRUZLI-UHFFFAOYSA-N 315.333 1.876 0 40 DDAB NC(=O)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 16385404 GSIIQJVDJUXLGS-MRVPVSSYSA-N 320.132 1.444 0 40 DDAB Cc1nnc(CN2CCC[C@H](COc3ccncc3)C2)n1C 1776000427 BAVHKDOHOUIJKF-AWEZNQCLSA-N 301.394 1.810 0 40 DDAB C[C@@H](Cc1ccc(O)cc1)NC(=O)NCCCN1CCCC1=O 55083695 KYKBLVIZTBGXMJ-ZDUSSCGKSA-N 319.405 1.635 0 40 DDAB Cn1nc(-c2cccnc2)cc1C(=O)N[C@@H]1CCNC12CCC2 1579988962 BEZLWLFEIADVQC-OAHLLOKOSA-N 311.389 1.497 0 40 DDAB Cc1nnc(CN(C)C2CCN(CCc3ccccn3)CC2)o1 84291461 BWXFBIKYYPPOMA-UHFFFAOYSA-N 315.421 1.912 0 40 DDAB CCOc1ccc(NC(=O)NC2CN(c3cnccn3)C2)cc1 1202909792 OWUGMIUTHBBCBA-UHFFFAOYSA-N 313.361 1.886 0 40 DDAB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)cc1OC 5067102 HYRCYYCLHCGDCJ-GXFFZTMASA-N 303.318 1.115 0 40 DDAB CCOP(=O)(CSCC[C@@]1(C)NC(=O)NC1=O)OCC 5759231 XZQCSDHOJYRUSJ-LLVKDONJSA-N 324.339 1.931 0 40 DDAB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)N1CCCC1 16438192 RXONFWMBDZWNBN-UKTHLTGXSA-N 300.314 1.679 0 40 DDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=N)NC1=O 17084618 WYCLRVLERUCXTD-SECBINFHSA-N 313.766 1.844 0 40 DDAB CCCC(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19501092 ZOPPQYNJNIAANT-GFCCVEGCSA-N 312.373 1.948 0 40 DDAB CCOC(=O)CS[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 101273896 ARTWMOJRPZLFBZ-LBPRGKRZSA-N 323.370 1.623 0 40 DDAB CC[C@H](C)Oc1ccc(C(=O)NCc2cc(O)nc(O)n2)cc1 521396331 MVQOAKNKLQREGV-JTQLQIEISA-N 317.345 1.995 0 40 DDAB CC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C 7425933 CWUQGQSOPRKERZ-VIFPVBQESA-N 324.406 1.149 0 40 DDAB O=C(NC1CCCCCC1)c1c(O)nc2sccn2c1=O 16690003 UALRJIWHBAHHPC-UHFFFAOYSA-N 307.375 1.914 0 40 DDAB C[C@H](C(=O)O)N1CC2(CCOCC2)Oc2ccccc2C1=O 19080796 CVDLHUHWODAZFM-LLVKDONJSA-N 305.330 1.544 0 40 DDAB O=C(OCC(=O)N1CCOCC1)c1cc2ccccc2cc1O 3619434 PKLVVAVRZDGPAG-UHFFFAOYSA-N 315.325 1.561 0 40 DDAB Cc1nc(C(F)F)cc(N2CCN(Cc3nc(C)no3)CC2)n1 1888860498 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CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)s1 20000541 ZQSCCDZOFFLAGT-SSDOTTSWSA-N 310.828 1.595 0 40 DDAB CCCn1c(=O)n(CC(=O)N2CCSCC2)c2ccccc21 40122316 WXASYYONPMEJSP-UHFFFAOYSA-N 319.430 1.788 0 40 DDAB CCc1nnsc1C(=O)N1CCN(c2nc(C)cs2)CC1 30702085 CFJISSXYRHDMTD-UHFFFAOYSA-N 323.447 1.828 0 40 DDAB CC(=O)NCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1C 31244554 KFFJYGPELWJRBT-UHFFFAOYSA-N 318.352 1.576 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)no1 31657118 ZAASCEICGSSAIB-UHFFFAOYSA-N 324.358 1.575 0 40 DDAB COc1ncccc1NC(=O)CN1C(=O)COc2ccccc21 40539870 DTSFIFCHLCWAGQ-UHFFFAOYSA-N 313.313 1.454 0 40 DDAB CC(C)NC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 40541467 BWZOREFNUISMHV-LLVKDONJSA-N 308.304 1.268 0 40 DDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccsc2)CC1 40528259 GGYWRMYVQOEOCG-CQSZACIVSA-N 321.446 1.609 0 40 DDAB O=C(O)[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 32187249 DIQZVCVQNYHKSY-OAHLLOKOSA-N 302.374 1.368 0 40 DDAB COc1ccc(CN(C)C(=O)CN2CCC[C@H](O)C2)cc1F 20941652 GKOQJMWCTGGDTJ-ZDUSSCGKSA-N 310.369 1.249 0 40 DDAB O=c1c(NCc2ccccn2)c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1=O 101694015 IDSNWUZMVJJZDI-AVGNSLFASA-N 309.369 1.914 0 40 DDAB C[C@@H](NCCn1nc2ccccn2c1=O)c1cccc(F)c1 32804006 DHKKCFDOUKCGTO-GFCCVEGCSA-N 300.337 1.986 0 40 DDAB CC[C@H](C)C1=NN(C(=O)c2ccccc2)[C@](O)(C(=O)OC)C1 55007 UBGPHXJAIPYFNH-MEDUHNTESA-N 304.346 1.796 0 40 DDAB COC(=O)[C@H](Cc1ccco1)C(=O)N[C@H]1CCN2CCCC[C@H]12 95466039 LVRZFYQZGBOBTF-QLFBSQMISA-N 320.389 1.354 0 40 DDAB O=C(NCCCn1cncn1)N[C@H]1CCOc2ccccc21 47866743 SMSLRBGXAFTUKT-ZDUSSCGKSA-N 301.350 1.491 0 40 DDAB C[C@H](NC(=O)NCCNC(=O)C1CCCC1)c1cnn(C)c1 78941338 KZYWBTRDTBDINM-NSHDSACASA-N 307.398 1.087 0 40 DDAB Cc1cccc2ncnc(N[C@@H](CC(C)C)C(=O)NCCO)c12 79099251 SHRJTPLNOJJBQW-AWEZNQCLSA-N 316.405 1.873 0 40 DDAB CC(C)C[C@H](N[C@H](c1ccccc1)P(=O)(O)O)C(=O)O 1590386 CZFVOVQMWGYAFW-RYUDHWBXSA-N 301.279 1.952 0 40 DDAB C[C@H](C[C@@H]1CCCO1)Nc1cc(N2CCC[C@H]2CO)ncn1 106906010 VVJSCPRHYQZNJC-RDBSUJKOSA-N 306.410 1.807 0 40 DDAB 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324.469 1.419 0 40 DDAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1nn(C)c3ccccc13)CCO2 107720247 MUTWHELFUJHYDE-IIAWOOMASA-N 315.373 1.592 0 40 DDAB CCO[C@H]1C[C@@H](N(C)C(=O)c2nccnc2N)C12CCCC2 72293748 WBRGGJOMOYYHOU-NEPJUHHUSA-N 304.394 1.869 0 40 DDAB CC1=CC(c2c(O)c3ccccc3n(C)c2=O)=NC(=S)NN1 102493531 WKFUDWMJNFQLIP-UHFFFAOYSA-N 314.370 1.330 0 40 DDAB C[C@H](CNC(=O)NCc1cc[nH]n1)N1CCc2sccc2C1 48303283 GPGPEUTWGOVPEN-LLVKDONJSA-N 319.434 1.717 0 40 DDAB CCc1ccc(CNC(=O)NCc2nnc3n2CCC3)s1 48310269 PRUYOJZHEMMRMC-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB CCN(Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C1CC1 29912642 TXZJEDMFSMXJOZ-UHFFFAOYSA-N 301.346 1.694 0 40 DDAB NC(=O)N1CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 60672337 BMENALAZWMTKPM-CYBMUJFWSA-N 303.362 1.417 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 12981200 OAXJIUZBLREFBQ-ZJUUUORDSA-N 307.350 1.300 0 40 DDAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCNC(=O)C1 12917281 HNWBYCIELIDKGZ-ZDUSSCGKSA-N 306.406 1.156 0 40 DDAB O=c1c2cnc(N3CCCCC3)nc2ccn1C[C@@H]1CCCO1 39383843 LRUOXWYQYFDFKE-ZDUSSCGKSA-N 314.389 1.961 0 40 DDAB O=C(O)c1ccc(CNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4507117 CXMVNZTYOLHDOJ-RQJABVFESA-N 317.341 1.748 0 40 DDAB NC(=O)c1ccccc1OCC(=O)NCc1ccc(F)cc1 4550226 WIAHYNWJFHNPOR-UHFFFAOYSA-N 302.305 1.620 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2c3c(cccc13)CC2 14202309 QHELJWPBVANSPN-UHFFFAOYSA-N 321.336 1.427 0 40 DDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 4671288 GRCYBILJJACYPP-JTQLQIEISA-N 307.730 1.717 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(C)c1 5785884 RLMQSWGSAGGKFT-AWEZNQCLSA-N 304.346 1.813 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@@H](C)O2 4970791 CPKUBPXAPAWDNZ-CHWSQXEVSA-N 318.373 1.404 0 40 DDAB COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cccn1C 7635576 BWBVFMHMKMEAGR-GFCCVEGCSA-N 316.357 1.895 0 40 DDAB C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(S(C)(=O)=O)c(F)c1 90849703 GONDXVJQDXZJJC-YGRLFVJLSA-N 317.382 1.031 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 69294553 ZEYZYJZJFHVQHE-IUODEOHRSA-N 311.403 1.456 0 40 DDAB CC[C@](C)(NC(=O)C1=NO[C@H](c2ccccc2)C1)C(=O)OC 69322914 YOZKVCPVVGAGGZ-BBRMVZONSA-N 304.346 1.962 0 40 DDAB O=C(NS(=O)(=O)c1cccc2cnccc12)C1CCOCC1 69594099 GFTDGTDTIQFTGB-UHFFFAOYSA-N 320.370 1.466 0 40 DDAB COc1c(CNCCC(=O)Nc2cccc(C)n2)c(C)nn1C 69415971 PIDGLVAPVITJLS-UHFFFAOYSA-N 317.393 1.559 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NC2CCN(CC3CCCC3)CC2)C1 71842084 SUCRKTYAXPDUOK-AWEZNQCLSA-N 322.453 1.158 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn[nH]n2)CC1 71883548 OJNCWKZZLJHFEY-SNVBAGLBSA-N 323.397 1.570 0 40 DDAB CCCOc1ccc([C@@H]2C=C(C(=O)O)NC(=O)N2)cc1OC 19942589 WSAZCNHIMPHMPI-JTQLQIEISA-N 306.318 1.806 0 40 DDAB CC(C)N1CCC2(CC1)CCn1c2nn(C(C)C)c(=O)c1=O 306131353 KCHRBGHXKKWKSE-UHFFFAOYSA-N 306.410 1.132 0 40 DDAB CC[C@@H]1CN(Cc2nnsc2Cl)CCN1CCOC 69842236 JDFULWOLQXHFMG-SNVBAGLBSA-N 304.847 1.734 0 40 DDAB CCc1nc2n(n1)C[C@H](NCCC(=O)Nc1cc(C)on1)CC2 69819507 MGWIITXDORKPLB-LLVKDONJSA-N 318.381 1.070 0 40 DDAB COCCN(CCN(C)C)C(=O)c1cccc(OC)c1OC 83851034 ULDCTZNZMHBVCQ-UHFFFAOYSA-N 310.394 1.354 0 40 DDAB O=C(c1cnn2cccnc12)N1CCCC[C@H]1Cn1cccn1 69971312 GLLILMZPNVMWTB-ZDUSSCGKSA-N 310.361 1.621 0 40 DDAB CONC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 8746716 LXRHBBLFOFHTCT-UHFFFAOYSA-N 306.343 1.779 0 40 DDAB CC(C)c1nc(CN(C)[C@@H]2CCN([C@@H](C)C(=O)N(C)C)C2)no1 95402655 YQZHYKIJGRZGJJ-QWHCGFSZSA-N 323.441 1.176 0 40 DDAB Cn1cc(CCCNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cn1 98020302 VXHLAZFBPKJVLX-KFWWJZLASA-N 306.410 1.610 0 40 DDAB NC(=O)c1cccc(CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 95988046 TWIUMNUKQGVMIM-OAGGEKHMSA-N 300.402 1.875 0 40 DDAB NC(=O)C1(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 89311490 UGYHDQUVEZNFRX-JTQLQIEISA-N 317.172 1.551 0 40 DDAB CC[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)c1nc[nH]n1 75145596 RBKQFLLSXHAZNC-PWSUYJOCSA-N 307.398 1.457 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)c2ccccc2NC1=O 89941230 OHSQZYQPICNNNW-LLVKDONJSA-N 311.341 1.620 0 40 DDAB COC(=O)[C@]1(C)CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 89919453 WOBNFEHJYHTCGL-QGZVFWFLSA-N 313.357 1.898 0 40 DDAB O=C(Nc1c[nH]cc(Br)c1=O)c1ccncc1F 89990453 GBRLZOBTXZDTPG-UHFFFAOYSA-N 312.098 1.924 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 75532413 FTYYAUHQSINDHH-KGLIPLIRSA-N 318.421 1.907 0 40 DDAB CCOC(=O)Nc1cc(S(=O)(=O)NC)ccc1OCC 408586799 QXTSDVFDBYOCAD-UHFFFAOYSA-N 302.352 1.562 0 40 DDAB Cc1ccc2c(CN3CCC(C(N)=O)CC3)cc(=O)oc2c1 3422358 XGTVBOZMIPXWAW-UHFFFAOYSA-N 300.358 1.799 0 40 DDAB biogenic CC[C@H]1C[C@H](C(=O)N2CCC(n3cnnc3O)CC2)CCO1 536101831 CXMADKFVSCGKLB-YPMHNXCESA-N 308.382 1.352 0 40 DDAB COC(=O)c1ccccc1NS(=O)(=O)c1c(N)noc1C 72405978 FCHNKHYZAWDIHQ-UHFFFAOYSA-N 311.319 1.153 0 40 DDAB Cc1cc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)nc(C)n1 363553170 MQVHTNUSYAXYMO-LBPRGKRZSA-N 310.423 1.144 0 40 DDAB CCc1nccn1-c1cncc([C@@H]2CCCN(CCO)C2)n1 72355524 NZXIRLDXOANROH-CYBMUJFWSA-N 301.394 1.396 0 40 DDAB CC(C)(C)OC(=O)N1CCC(C(=O)CS(C)(=O)=O)CC1 71256119 YWRQIYSTDYSZJZ-UHFFFAOYSA-N 305.396 1.247 0 40 DDAB CNc1cc([C@H]2CN(Cc3coc(C)n3)CCO2)nc(C)n1 72387774 SLJSNUXUGHBRMX-CQSZACIVSA-N 303.366 1.697 0 40 DDAB COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)c1 72227743 AHYDUAMDHFHQPJ-HOTGVXAUSA-N 312.325 1.839 0 40 DDAB CCN1CCc2ccc(NC(=O)N[C@H](C)Cn3cncn3)cc21 79028803 KOWMWFICMZFPJA-GFCCVEGCSA-N 314.393 1.871 0 40 DDAB C[C@H](C(=O)N(C)C)S(=O)(=O)c1cccc(Br)c1 76585606 YZGCOUXMPRELKS-MRVPVSSYSA-N 320.208 1.700 0 40 DDAB CCn1nncc1CN[C@H]1CC(=O)N(c2ccccc2F)C1 567572710 VHALPOANDJNRGA-NSHDSACASA-N 303.341 1.332 0 40 DDAB COCC(=O)N1CCC[C@H]1c1nccnc1Nc1ccccn1 72384778 DDBCICVBODPTCX-LBPRGKRZSA-N 313.361 1.925 0 40 DDAB O=C(NCCN1CCOCC1)N[C@@H](Cc1ccccc1)C1CC1 76944151 UARREGNVBUKPOX-KRWDZBQOSA-N 317.433 1.639 0 40 DDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1 71979960 KJNLPHCYUMONEZ-ZDUSSCGKSA-N 304.346 1.034 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)NC1CCSCC1 41124195 SSJQHUADRJKANB-UHFFFAOYSA-N 307.423 1.573 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Br)nc1 79421658 LSVYYDXSKVZHLM-NSHDSACASA-N 300.200 1.786 0 40 DDAB O=C(NC[C@@]1(O)CCc2ccccc21)c1ccc2c(c1)OCO2 75155655 NWHNEOAOFUJSGG-SFHVURJKSA-N 311.337 1.979 0 40 DDAB O=C(c1cnn(C2CC2)c1)N1CCC(c2nc(O)n[nH]2)CC1 529223320 PXAHNXIUVCXMNF-UHFFFAOYSA-N 302.338 1.062 0 40 DDAB CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@H](C)n2cccn2)C(=O)O)C1 573459197 WCDOPWXFUVJGQB-WUHRBBMRSA-N 309.366 1.219 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)c2cc(Br)ccc2O1 194257237 AVSOXHKESYAAFA-SSDOTTSWSA-N 306.181 1.996 0 40 DDAB C[C@]1(c2ccccc2)CCCN(C[C@@H](O)CN2CCOCC2)C1 195530247 OVPUVNZWTXKMRH-OALUTQOASA-N 318.461 1.733 0 40 DDAB Cc1[nH]ncc1C(=O)N1CCN(c2nncc3ccccc23)CC1 96443697 CXCCYKSPDVKXNL-UHFFFAOYSA-N 322.372 1.624 0 40 DDAB CCC(=O)Cn1nnc([C@@H](NC(=O)c2ccccc2)C(C)C)n1 96409202 JAZFLNLLZSGVNI-AWEZNQCLSA-N 315.377 1.779 0 40 DDAB CCN1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2 96070215 KTKZLKKIKCWGNX-UHFFFAOYSA-N 309.435 1.665 0 40 DDAB O=C(c1ccncc1)N1CCC2(CN(Cc3ccncc3)C2)C1 96202457 RIMFOURHIDOFPB-UHFFFAOYSA-N 308.385 1.825 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1CC 96261625 NALZCIZMTSIKQN-IIYDPXPESA-N 320.437 1.856 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccsc1 96064676 VEAVOZRKHSEXML-ZIAGYGMSSA-N 322.430 1.529 0 40 DDAB CCc1nc(C[S@@](=O)CC(=O)NCc2ccco2)cs1 96404336 CWRWVJXCDOIYGC-FQEVSTJZSA-N 312.416 1.864 0 40 DDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1C[C@@H]1CCOC1 96070191 YPMVJZHKSMBVNW-OLZOCXBDSA-N 318.421 1.322 0 40 DDAB COc1cccc(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1 96410447 OBOHPIMDAOGYNS-CYBMUJFWSA-N 315.377 1.829 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107665 ROSLBSUGYPIOOK-WFASDCNBSA-N 324.402 1.186 0 40 DDAB O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc[nH]1 96455957 ODKFWOONNGOATD-MRXNPFEDSA-N 311.385 1.978 0 40 DDAB COC[C@@](C)(NS(=O)(=O)c1cnn(C)c1)c1ccccc1 96456758 DKHSDWOURJQULD-CQSZACIVSA-N 309.391 1.260 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc(C)oc3C)CCO2)n1 96432803 ORZDTPMJYXJQIU-CQSZACIVSA-N 318.377 1.646 0 40 DDAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cnn(C)c3)O2)n1 96057516 APLWSNISFPRNRN-MGPQQGTHSA-N 303.366 1.606 0 40 DDAB C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@@H](O)CO 96455462 JZKMUAYVSGBSLU-CBAPKCEASA-N 313.202 1.822 0 40 DDAB CN1CCC(NC[C@H]2COCc3nc4cc(F)ccc4n32)CC1 96112726 KQIWKWYVONMRDW-AWEZNQCLSA-N 318.396 1.931 0 40 DDAB biogenic,in-vitro COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCc1nc2ccccc2n1C 96412472 NJXRHTSFYDEFDR-NWDGAFQWSA-N 315.373 1.431 0 40 DDAB Cc1nc(C[C@@H]2CCCN(C(=O)C3CCC3)C2)cc(C(N)=O)n1 257253471 JZBIZPQMWUEWHM-LBPRGKRZSA-N 316.405 1.465 0 40 DDAB COc1cccc(S(=O)(=O)CCN2CCCC[C@@H]2CO)c1 69627324 PSGHPSFBGOVDGQ-CYBMUJFWSA-N 313.419 1.316 0 40 DDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCNC1 257290338 QCNMUSPPJUWAEB-SNVBAGLBSA-N 305.403 1.438 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)cn1 257226159 FJJQLAZLZBHBPL-CQSZACIVSA-N 313.361 1.406 0 40 DDAB CC(C)Oc1ccccc1CNC(=O)N[C@@H]1CCCNC1=O 69740641 WFKORHSANSZYRZ-CYBMUJFWSA-N 305.378 1.552 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257252388 JUQQLGRDHJOLIC-AWEZNQCLSA-N 324.344 1.041 0 40 DDAB O=C([C@@H]1CCc2[nH]ncc2C1)N1CCN(c2ccccn2)CC1 270094196 AGBFYZSPCSOXAH-CYBMUJFWSA-N 311.389 1.258 0 40 DDAB CCSc1nnc(NC(=O)c2cc3n(n2)CCCO3)s1 90626708 GAKGOERBVIIQFS-UHFFFAOYSA-N 311.392 1.881 0 40 DDAB COc1cccc(C(=O)NCC(=O)N2CC[C@H](OC)C[C@@H]2C)c1 281718808 IKGKTYLHHDYIAC-WFASDCNBSA-N 320.389 1.451 0 40 DDAB COCc1nnc2n1CCN(C(=O)[C@H]1CCCS1)[C@H](C)C2 585097109 FVRAWOUWVDAHDW-GHMZBOCLSA-N 310.423 1.093 0 40 DDAB CCCCC[C@]1(O)CCN(C(=O)/C=C/c2ccnn2C)C[C@@H]1O 585290505 XJNDJBRBRDGAOJ-PDZIMXBZSA-N 321.421 1.338 0 40 DDAB COC[C@@H]1CCn2nccc2CN1C(=O)CC1CCOCC1 585097628 OGPAVUCCGSKZOM-HNNXBMFYSA-N 307.394 1.447 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)Nc2cc(C)nn2C)cc1 43432802 DXYHRJXOYPIQIA-ZDUSSCGKSA-N 304.350 1.592 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H](C)CO 133463895 ZLYBHWMUZCBSSX-SECBINFHSA-N 322.224 1.759 0 40 DDAB O=C(NCc1nnc2n1CCCC2)N1CCc2sccc2C1 47149595 GEPCQLRHRIHLBC-UHFFFAOYSA-N 317.418 1.944 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 56078312 AYSCNTUQYKXUJC-MRVPVSSYSA-N 303.284 1.721 0 40 DDAB CN(Cc1c2c(nn1C)CCCC2)C1CN(c2cnccn2)C1 1776001835 NTJURFAUMBNHLR-UHFFFAOYSA-N 312.421 1.410 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(CCn3ccnn3)C2)nc1 1776000674 FFUZUJZMECGOCU-AWEZNQCLSA-N 302.382 1.168 0 40 DDAB Cc1cc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)ncn1 1776009711 NZPCNBGRMCJLDU-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB C[C@H](NC(=O)c1cc[nH]n1)[C@H]1CN(Cc2ccccc2)CCO1 78153093 VGQDZNSCFCJIHO-XJKSGUPXSA-N 314.389 1.429 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1sccc1Br 88374055 VWERCZHZFXKEDP-SSDOTTSWSA-N 320.164 1.436 0 40 DDAB Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 96119469 NCFHHGQTVSSPTE-ZDUSSCGKSA-N 303.362 1.038 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OC)N(C)C1=S 8091455 OTRLWUOBMBFZQL-FLIBITNWSA-N 320.370 1.268 0 40 DDAB CCCN1C(=O)/C(=C\c2cc(C(=O)OC)c(C)o2)NC1=S 14201872 SVTIAFJMZBTIAI-YRNVUSSQSA-N 308.359 1.842 0 40 DDAB O=C(C[C@H]1NCCNC1=O)Nc1cc(Cl)cc(Cl)c1 5995918 FIBIBAITWGRILM-SNVBAGLBSA-N 302.161 1.410 0 40 DDAB COC(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1 16282924 UEZLUYMCRCPVNS-UHFFFAOYSA-N 323.418 1.092 0 40 DDAB Cc1nnc(-n2nc(-c3ccc(Cl)cc3)cc2N)nc1O 16952347 UOJJJNHMTVGORH-UHFFFAOYSA-N 302.725 1.974 0 40 DDAB CC(C)c1nc2n(n1)[C@H](C(=O)NCc1ccco1)CC(=O)N2 17030902 HJVKLMIJRVCOIQ-JTQLQIEISA-N 303.322 1.194 0 40 DDAB CC(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(C)CC1 19454675 JAQLBNIVIAWVLN-OAHLLOKOSA-N 318.400 1.730 0 40 DDAB CNC(=O)[C@@]1(C)CN(Cc2cn(C)c3ccc(F)cc23)CCO1 19746908 LUONWMACMSKCNK-QGZVFWFLSA-N 319.380 1.654 0 40 DDAB CCCNS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101078971 MQNYMPHCDZZNAR-SNVBAGLBSA-N 308.403 1.771 0 40 DDAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)ccc1F 521394171 MCTLQGOKXLTPLZ-IINYFYTJSA-N 312.366 1.957 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C[C@@H](C)O1 13121519 PWTJPASYOOMJMR-AOOOYVTPSA-N 307.375 1.094 0 40 DDAB Cn1ncc2c(N3CC[C@@H](C(=O)NC(C)(C)C)C3)ncnc21 1889084256 YXWWDLYXMHQGQS-SNVBAGLBSA-N 302.382 1.104 0 40 DDAB Cc1cncc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1889139119 YQGSCMHMRBUWMS-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB CN(C)CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 21520546 KMNIWFSCJAXNNJ-UHFFFAOYSA-N 320.798 1.268 0 40 DDAB Cc1noc(CN2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)n1 2086934241 ZHJPLTQLTYFNGF-RYUDHWBXSA-N 303.341 1.480 0 40 DDAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)C1CCCC1 10251040 ANZFEDCQWKRCNF-UHFFFAOYSA-N 323.356 1.843 0 40 DDAB CCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055714726 OATMJSAWCQCHKO-GFCCVEGCSA-N 306.410 1.452 0 40 DDAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(C)=O)CC2)c1 2055747601 MJUOHFFXNJCLDY-UHFFFAOYSA-N 319.405 1.576 0 40 DDAB Cc1cccnc1OCC1CCN(CCn2ccnn2)CC1 585532247 LYPOFPFOMCVEAJ-UHFFFAOYSA-N 301.394 1.773 0 40 DDAB C[C@@](O)(CNC(=O)COc1ccccc1F)Cc1ccco1 206613840 JTHBERUPWPTBLL-INIZCTEOSA-N 307.321 1.907 0 40 DDAB CN1CC[C@H](CN(C)S(=O)(=O)c2cc(F)c(F)cc2F)C1 105621082 LFNUZAMTZXGKQQ-VIFPVBQESA-N 322.352 1.676 0 40 DDAB Cc1noc(C)c1C(=O)NCc1cccnc1N1CCOCC1 30311345 DZZRNLSRCAAQLE-UHFFFAOYSA-N 316.361 1.453 0 40 DDAB CCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2ccsc2n1 31254523 SDFCTVFRQORSNZ-GFCCVEGCSA-N 321.402 1.674 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)Nc1cc(OC)cc(OC)c1 40477734 CZDLAVFUZAHBKR-SNVBAGLBSA-N 309.366 1.740 0 40 DDAB O=C(NCc1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 40468345 KSMFUPZEXGLXOS-MRXNPFEDSA-N 303.406 1.693 0 40 DDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 40496284 NKKIPLBYSUBFNW-VIFPVBQESA-N 317.798 1.345 0 40 DDAB Cc1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n(C)n1 31814763 TWBHTGKZDBCKDH-UHFFFAOYSA-N 314.267 1.548 0 40 DDAB CC(C)CCNC(=O)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32071326 UKPPKSZKYGKJBA-CYBMUJFWSA-N 316.409 1.503 0 40 DDAB Cn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)n1 32778093 CFUYHQJTBHJTLF-SNVBAGLBSA-N 304.375 1.725 0 40 DDAB COc1ccc([C@@H](CC(=O)Nc2ccn(C)n2)NC(C)=O)cc1 32879996 BXGWEIMYKLGRMJ-CQSZACIVSA-N 316.361 1.635 0 40 DDAB COc1ccccc1/C=C/C(=O)NC(=S)NC[C@H]1CCCO1 516546 AEIKPCUHXPYZKF-MMQHEFTJSA-N 320.414 1.878 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)NCCC2=CCCCC2)c1 22190676 JPRGKXRIXACARU-UHFFFAOYSA-N 318.373 1.642 0 40 DDAB O=C(c1ccc(-n2cncn2)cc1)N(C[C@H]1CCOC1)C1CC1 46938628 MEURECFFOILTKX-CYBMUJFWSA-N 312.373 1.908 0 40 DDAB O=C1C[C@H](C(=O)N(C[C@@H]2CCOC2)C2CC2)CN1C1CCCC1 46937070 PJCQYNQISYJHIS-KBPBESRZSA-N 320.433 1.805 0 40 DDAB NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)SCC2 213933 KNOQUEZIOZOYMM-UHFFFAOYSA-N 319.411 1.458 0 40 DDAB CCn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C(=O)NC)n1 2809450 MQKXMRRTUZYOPZ-VHSXEESVSA-N 322.365 1.092 0 40 DDAB CCOC(=O)c1ccc(CC(=O)c2c(O)cc(O)cc2O)o1 407264 QOHKWIVDBHXSJP-UHFFFAOYSA-N 306.270 1.999 0 40 DDAB biogenic CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1F 78898742 FJXNBXCTUPMMJQ-DOMZBBRYSA-N 314.426 1.975 0 40 DDAB CC[C@@H](C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 857586 SYKGPGSEHWCBHQ-SNVBAGLBSA-N 317.345 1.594 0 40 DDAB COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C 2561123 JPMNNMZMIYCVGZ-ZFWWWQNUSA-N 317.389 1.352 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@@H](C)O1 54304132 WFWZGJJLQPYVJM-TXEJJXNPSA-N 303.362 1.466 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1nccs1 4317060 DEACKOIDLGBTEK-UHFFFAOYSA-N 322.415 1.836 0 40 DDAB CCc1ccc(C(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc1 42630006 AWAXJZAZCIOYLU-UHFFFAOYSA-N 316.401 1.903 0 40 DDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2 107710570 YOMCHZNYSVQBMB-NVXWUHKLSA-N 317.389 1.227 0 40 DDAB CCOc1ccccc1-c1cc(C(=O)N2CCNC(=O)C2)n[nH]1 47717827 VPJFSXKSVQJCLR-UHFFFAOYSA-N 314.345 1.047 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(COC)cc2)CC1 8041387 AMTYNECZAFHACN-UHFFFAOYSA-N 306.362 1.747 0 40 DDAB COCCn1cnnc1SCC(=O)N1[C@@H](C)CCC[C@H]1C 43464082 DZRHXHCREYHODK-TXEJJXNPSA-N 312.439 1.806 0 40 DDAB CCN1CCO[C@@H](CNCc2cc3c(cc2OC)C[C@@H](C)O3)C1 106929837 UCUGCTTVXFMABX-CJNGLKHVSA-N 320.433 1.829 0 40 DDAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C[C@@H]2CCCO2)CC1 107325713 VRCBAMKFMQXCKC-VGWMRTNUSA-N 323.506 1.846 0 40 DDAB Cc1ccccc1OC[C@@H](C)NC(=O)N[C@@H](C)c1nncn1C 56861576 MJKWPXCOJZKSBR-OLZOCXBDSA-N 317.393 1.951 0 40 DDAB CC[C@@H]1CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCO1 26130324 FHPIHDBJKALIPS-CQSZACIVSA-N 319.405 1.544 0 40 DDAB CCS(=O)(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 75106870 MGLJTWVIAXZZMS-ZDUSSCGKSA-N 322.430 1.952 0 40 DDAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1nccnc1N 9737647 SBIOGHFKZJQCGE-JTQLQIEISA-N 300.318 1.551 0 40 DDAB C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)n1cccn1 44669433 ONNWVNNKKUFFPG-STQMWFEESA-N 301.346 1.743 0 40 DDAB CC1(C)Cc2c(sc3nc(NCCO)n4ncnc4c23)CO1 3207406 HLSRRGSEVMBWOE-UHFFFAOYSA-N 319.390 1.595 0 40 DDAB Cn1ccnc1[C@H](NC(=O)NCCCO)c1ccccc1F 89761366 GGCMUUBBZPAGNG-CYBMUJFWSA-N 306.341 1.330 0 40 DDAB C[C@@H](OC[C@H](O)CNC(=O)c1ccncc1)c1ccccc1 58166287 MIWVXZSAIZMWNN-CZUORRHYSA-N 300.358 1.950 0 40 DDAB COC(=O)C[C@H](NC(=O)Cn1cccn1)c1ccccc1Cl 44894790 LMEKCQGUBZAHFO-ZDUSSCGKSA-N 321.764 1.957 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)CCC3CCCCC3)CC2)N1 44894568 VMIPIBJEMGKQPF-UHFFFAOYSA-N 307.394 1.548 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(Cc2ccccc2Cl)c1 27671807 XEHNQUKHHMXVJT-UHFFFAOYSA-N 320.780 1.451 0 40 DDAB C[C@H](C(=O)NC1CC1)N1CCN(CCc2cccs2)CC1 58202101 AXFCCBZZVSRGRT-CYBMUJFWSA-N 307.463 1.575 0 40 DDAB NC(=O)Cn1ccc(NCC(=O)Nc2cccc(Cl)c2)n1 58269048 DKELZRXKEYMUFS-UHFFFAOYSA-N 307.741 1.072 0 40 DDAB NC(=O)Cc1ccc(OCC(=O)NCCC2CCCC2)cc1 58266847 QGHBCCWHGIADPP-UHFFFAOYSA-N 304.390 1.790 0 40 DDAB Cc1nc(CN2CCC(c3ccnn3CCO)CC2)oc1C 58289736 AFOJQEAZVGVXSV-UHFFFAOYSA-N 304.394 1.860 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834989 GJBMELOEKYJHOB-JKSUJKDBSA-N 312.373 1.135 0 40 DDAB C[C@H](C(=O)N1CCC(c2ccc(O)cc2)CC1)S(C)(=O)=O 45062470 HTVZFYOAVNTTLO-LLVKDONJSA-N 311.403 1.531 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCC[C@H](c3cc[nH]n3)C2)C1=O 89914358 IAGFEQPXNNQIPG-LBPRGKRZSA-N 319.409 1.310 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC2)c1C 3365513 LZGMUSHBBLYGHQ-UHFFFAOYSA-N 322.361 1.587 0 40 DDAB CCN(CC(=O)Nc1cc(F)ccc1F)CC(=O)NC(C)C 3357566 KQURSRCSZIWMSI-UHFFFAOYSA-N 313.348 1.750 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)[C@H](C)CO1 45449590 UINJOXQTGFZJOG-OLZOCXBDSA-N 316.357 1.739 0 40 DDAB COc1cc(CNC(=O)[C@H](C)n2cncn2)c2ccccc2n1 76041155 BZCMGWWCBTYGPA-NSHDSACASA-N 311.345 1.712 0 40 DDAB O=C(Cc1ccccc1F)N1CCN(c2cnccn2)CC1 11544299 SGAVJIGFICKYAF-UHFFFAOYSA-N 300.337 1.507 0 40 DDAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)Cn2cnnn2)cc1 59767078 HTNNZRHUPIIMHH-CYBMUJFWSA-N 314.393 1.686 0 40 DDAB CNC(=O)c1cccc(NC(=O)c2cc(-n3cccn3)ccn2)c1 76017907 YAQZKDBQQKPXKF-UHFFFAOYSA-N 321.340 1.879 0 40 DDAB Cc1oc(C)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C 76054742 OTUQEHALRUXPGJ-ABAIWWIYSA-N 306.406 1.998 0 40 DDAB CCC(=O)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)[C@@H](C)C1 76057291 NLGTYAWRWJIBTH-SWLSCSKDSA-N 303.406 1.522 0 40 DDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC(C)(C)CC)C1 46795852 LNMVXSLBZMDEFT-NSHDSACASA-N 306.428 1.285 0 40 DDAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccon1 12924881 BOMKMCUBYZXDGY-UHFFFAOYSA-N 317.301 1.853 0 40 DDAB Cn1cccc1C(=O)COC(=O)c1cccc(-n2cnnn2)c1 23870005 MKDMGCVOKVIVSQ-UHFFFAOYSA-N 311.301 1.041 0 40 DDAB Cc1cnc(NC(=O)CCc2c(C)nc3ncnn3c2O)s1 13690694 MKJNGWSOVDMDCB-UHFFFAOYSA-N 318.362 1.475 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1noc(C(C)(C)C)n1 96001689 BKHZPAXYNLZOOZ-UHFFFAOYSA-N 300.340 1.773 0 40 DDAB COC(=O)c1ncn(CN2CCC[C@H]2Cc2ccccc2)n1 65603926 VWACYQCFNHDGIB-AWEZNQCLSA-N 300.362 1.729 0 40 DDAB CCc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)o2)cc1 95456666 MSVSWJFCWSLCLM-AWEZNQCLSA-N 303.358 1.934 0 40 DDAB Cn1cc(Cl)c(C(=O)OCC(=O)NCc2ccccc2)n1 4734978 HOSSSPVBNWJWLE-UHFFFAOYSA-N 307.737 1.547 0 40 DDAB CCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)OC 4704325 IUBHCITXDPLPJG-CQSZACIVSA-N 320.389 1.193 0 40 DDAB Nc1cc(=O)[nH]c(SCCC(=O)NCc2ccccc2)n1 67225200 OVMLVOQFEOGNHY-UHFFFAOYSA-N 304.375 1.151 0 40 DDAB Cc1cc(CN2Cc3ccnn3C[C@@H](CN(C)C)C2)n(C)n1 306143034 XRKKEXRSRBNISW-AWEZNQCLSA-N 302.426 1.119 0 40 DDAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3nccs3)ccc21 7667074 ZXOXJDYVMULJLG-UHFFFAOYSA-N 323.399 1.718 0 40 DDAB O[C@@]1(CNC2CCN(Cc3cccc(F)c3)CC2)CCOC1 90849637 RDSWDACEFDQYNW-QGZVFWFLSA-N 308.397 1.531 0 40 DDAB Cc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 8024773 OZYRRKFMWNRVOJ-SNVBAGLBSA-N 323.823 1.577 0 40 DDAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(Cc2ccco2)CC1 71892730 XYNUYJFICUTDRI-KRWDZBQOSA-N 312.369 1.928 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CO)cc1 8188288 BCEQAJOMZHTGNU-CABCVRRESA-N 323.389 1.060 0 40 DDAB CCOc1nnc(CN[C@H]2CCc3nc(C(C)C)nn3C2)s1 71871838 VJADFCMAPGBSHG-JTQLQIEISA-N 322.438 1.756 0 40 DDAB Cn1cc(C(=O)NCCOc2ccc(Cl)cn2)ccc1=O 95415629 VPQQIANPOJABPS-UHFFFAOYSA-N 307.737 1.243 0 40 DDAB CCc1nc2nc(CSc3nccc(C)n3)cc(O)n2n1 17056875 DPJZJYXGDCZJHA-UHFFFAOYSA-N 302.363 1.783 0 40 DDAB NS(=O)(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2)C1 69438117 UFNSHEIQVDQAEC-GFCCVEGCSA-N 317.842 1.345 0 40 DDAB Cn1cnc(CNC(=O)N2CCO[C@@](C)(c3ccccc3)C2)n1 91774908 IEGIDZDTLWSNAT-MRXNPFEDSA-N 315.377 1.272 0 40 DDAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@@H]2CCCO2)CC1 69876265 QBKTYLLMGQXWHB-HNNXBMFYSA-N 320.437 1.677 0 40 DDAB COc1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1 24302310 HZAKKTBWHCKZSU-CQSZACIVSA-N 321.340 1.692 0 40 DDAB Cc1n[nH]cc1CNCCN1CCN(c2ccc(F)cc2)CC1 97159269 SIUUAOOBIPWUIP-UHFFFAOYSA-N 317.412 1.769 0 40 DDAB CC(C)N(CCO)C(=O)Nc1cccn(CC(F)(F)F)c1=O 97113367 WTMZQNYLXUJCPV-UHFFFAOYSA-N 321.299 1.645 0 40 DDAB C[C@H](NC(=O)N(C[C@@H](C)O)C1CCCCC1)c1nncn1C 95942726 QQXXCGXFBNNPKC-NEPJUHHUSA-N 309.414 1.601 0 40 DDAB CN1CC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1=O 95948256 BFVFMPWEPCFGIU-HUUCEWRRSA-N 302.374 1.455 0 40 DDAB CN(C)[C@@H](CNC(=O)N[C@H](CCO)C1CC1)c1cccs1 89312241 MMWGHNMFCDVBHG-OLZOCXBDSA-N 311.451 1.811 0 40 DDAB COCc1nn(Cc2ccc(Br)s2)c(=O)o1 89420500 VVBDBLLOPPKGIF-UHFFFAOYSA-N 305.153 1.855 0 40 DDAB COCCN(CC(N)=O)C(=O)c1cc(C)c(F)cc1Cl 89570429 UDUZMFVMDFCPCA-UHFFFAOYSA-N 302.733 1.361 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1c(C)cc(C)[nH]c1=O 75117888 NVYUXCDVQYWANH-ZDUSSCGKSA-N 307.394 1.560 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c(=O)[nH]1 75120332 ZBVHWTSCONTFKK-SNVBAGLBSA-N 311.341 1.669 0 40 DDAB CCCNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(C)C 35374878 LVRRMZXZOBKEJC-JKSUJKDBSA-N 317.433 1.368 0 40 DDAB Cc1nc2c(c(OCC3CC3)n1)CCN(CC(=O)N(C)C)CC2 306129644 IIVILKMAFVPGRE-UHFFFAOYSA-N 318.421 1.063 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1C(=O)O 36974173 XPEQJEYAGSLTKT-LBPRGKRZSA-N 311.359 1.088 0 40 DDAB O=C(CCn1cnnn1)NC(c1ccccc1)c1ccccc1 524735677 QVVIEWPPJLUOPG-UHFFFAOYSA-N 307.357 1.969 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](CN(C(=O)CN)C2CC2)C1 79391155 AITCCNADPFYHEV-LBPRGKRZSA-N 311.426 1.583 0 40 DDAB O=C(c1ccc2[nH]ccc2c1)N1CC(CN2C(=O)CCC2=O)C1 675008060 TVEBRBDPSOGPFG-UHFFFAOYSA-N 311.341 1.389 0 40 DDAB Cc1cc(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)n(C)n1 187542826 QBAFJIZOVCJACL-UHFFFAOYSA-N 317.345 1.464 0 40 DDAB CCS(=O)(=O)[C@H]1CC[C@@](CN)(NC(=O)OC(C)(C)C)C1 217948493 DHSJUDWNALRYAX-GXFFZTMASA-N 306.428 1.196 0 40 DDAB C[C@@H](NC(=O)CN1CC[C@H](C(=O)O)C1)c1ccccc1Cl 62133967 WOQZROJYBRHYRC-MNOVXSKESA-N 310.781 1.924 0 40 DDAB COc1ccccc1CC(=O)NCCn1cnc(C)c(C)c1=O 86071709 FPTBXCUCSRXDNM-UHFFFAOYSA-N 315.373 1.228 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2cccn2C)cc1 75155051 PHYSPJQGKGULEO-AWEZNQCLSA-N 302.330 1.275 0 40 DDAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCO 222979412 PPIVAJUOTDDRKV-ZDUSSCGKSA-N 322.405 1.321 0 40 DDAB Cc1cccc(C(=O)N[C@H](C)C(=O)/N=c2\sccn2C)c1 49984841 FNDXUPDSXCAEDZ-PTGFTAGUSA-N 303.387 1.641 0 40 DDAB COC[C@H]1CCN(C(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 528541736 IYNNKGJOKLSSDD-SMDDNHRTSA-N 303.362 1.228 0 40 DDAB Nn1c(CCCN2CCCC2)nnc1CCCN1CCCC1 225149291 MEXSXKTVHNURQZ-UHFFFAOYSA-N 306.458 1.049 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)c2cc(Br)ccc2O1 194257257 AVSOXHKESYAAFA-ZETCQYMHSA-N 306.181 1.996 0 40 DDAB CC1(C)CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)[C@@H]1[C@@H]1CCCO1 573295823 MHIVNXKXHABSKP-VHDGCEQUSA-N 318.421 1.866 0 40 DDAB CCc1cnc(NCc2cnc(N3CCN(C)CC3)nc2)s1 195562439 MPPUSRVJLNEWIE-UHFFFAOYSA-N 318.450 1.859 0 40 DDAB CCCOc1ccc(CNC(=O)c2ccc(=O)[nH]n2)c(C)c1 195579260 COMUQHPNYOMTTD-UHFFFAOYSA-N 301.346 1.797 0 40 DDAB Cc1cccc(CN2C[C@@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)n1 96185851 HGPGFFYGDFBMSC-BZUAXINKSA-N 318.421 1.393 0 40 DDAB COC[C@@H]1CN(Cc2ccncc2)Cc2nnn(CC3CC3)c21 96060896 PNSPTNHFLVKICS-HNNXBMFYSA-N 313.405 1.829 0 40 DDAB c1csc(CN2CCn3c(Cn4cncn4)cnc3C2)c1 96201130 AYBQVBPOKKKUTH-UHFFFAOYSA-N 300.391 1.600 0 40 DDAB CCOC[C@H]1CN(C(=O)c2ccccn2)Cc2cnn(C)c21 96198252 HNIVNMJHYBSFDC-CYBMUJFWSA-N 300.362 1.591 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1)N1CCCC1 96065630 DEIQGKZNQSIHGM-GVDBMIGSSA-N 315.417 1.683 0 40 DDAB O=S(=O)(c1cccs1)N1CCCn2cnc(CO)c2C1 96259912 CVYZXCAYHUMTFF-UHFFFAOYSA-N 313.404 1.032 0 40 DDAB Cc1ccc(C(=O)N2CCc3ncnc(N(C)C)c3CC2)cn1 96255400 WADSPPBOCDHTQC-UHFFFAOYSA-N 311.389 1.487 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)s1 96245862 XIQGPTANKSBQCQ-KGLIPLIRSA-N 321.446 1.320 0 40 DDAB CC(C)N1CCOC[C@]2(CN(Cc3ccccn3)CCO2)C1 96049733 QIBDBACFVRQNPX-KRWDZBQOSA-N 305.422 1.393 0 40 DDAB CCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2)o1 96428287 LYOJZAAFMWTRML-CYBMUJFWSA-N 310.375 1.903 0 40 DDAB COc1cc(OC)cc(N2CC[C@@H](NCc3ncc[nH]3)C2)c1 96449346 FJSOONYQCBXJIA-GFCCVEGCSA-N 302.378 1.795 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1 96188905 RVOKVEUHKNAAGM-CYBMUJFWSA-N 305.403 1.792 0 40 DDAB COCCN1C[C@H](COC)C2(CCN(c3ncccn3)CC2)C1 247915682 ZGIOVHRZYICAPF-OAHLLOKOSA-N 320.437 1.288 0 40 DDAB COCC1(CNC(=O)NCC2(OC)CCOCC2)CCC1 252510185 ZDEYGGITADZDOK-UHFFFAOYSA-N 300.399 1.298 0 40 DDAB CCOC(=O)[C@H]1CCc2[nH]nc(I)c2C1 253533879 VLZJFPQLQQEBNJ-LURJTMIESA-N 320.130 1.682 0 40 DDAB NCC(=O)N1CCC2(CC1)CO[C@@H](Cc1cccc(F)c1)C2 257285739 PIPDZBREEDGKQN-HNNXBMFYSA-N 306.381 1.725 0 40 DDAB Cc1ncc(CNC(=O)c2ncoc2C)c([C@@H]2CCCN2C)n1 257263432 LPXGQEPENQDCMD-ZDUSSCGKSA-N 315.377 1.778 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CCN1CCOCC1 257334746 YHFHSWHKYHPFRU-CQSZACIVSA-N 306.410 1.494 0 40 DDAB Cc1cc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)no1 257285293 PGMLVGFJHYMJMF-AWEZNQCLSA-N 304.350 1.312 0 40 DDAB CC(C)n1nccc1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257236923 HEINKNQPWZEKFN-IIAWOOMASA-N 320.437 1.572 0 40 DDAB COCc1c(C(=O)N2CCC[C@H]2c2cnccn2)noc1C 257230301 GBPZNHPTTAUVQY-ZDUSSCGKSA-N 302.334 1.897 0 40 DDAB O=C(c1ccncc1)N1CCN(c2ccc(C3CC3)nn2)CC1 575606941 HNSWYTUCGPKCDQ-UHFFFAOYSA-N 309.373 1.711 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2cnc3ccccc3c2)[C@@H]1O 585287369 ZCDHVDDQOQJYEC-OIISXLGYSA-N 302.374 1.347 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)Cc1ccccc1Cl 585277299 HNRVFDPPLSZBPR-MRXNPFEDSA-N 324.808 1.766 0 40 DDAB CNC(=O)NCCNS(=O)(=O)c1csc2ccccc12 585142162 QMPQNMOIKYPBBB-UHFFFAOYSA-N 313.404 1.109 0 40 DDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nccs2)C1 67047235 JYFUKEMYTBEXQQ-RYUDHWBXSA-N 319.430 1.860 0 40 DDAB CC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CN(C)CCO1 69979354 PEHUFYHAGICJPP-LLVKDONJSA-N 300.834 1.617 0 40 DDAB CN(C(=O)Cc1cccnc1)[C@@H]1CCN(CC(F)(F)F)C1=O 71900791 FRYMXXTYHPPINI-LLVKDONJSA-N 315.295 1.246 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CCC(CN)CC1 44513072 LAIUZQZTFXLCKK-UHFFFAOYSA-N 300.200 1.599 0 40 DDAB CC[C@H](c1ccccc1)N1CCN(C(=O)C(=O)NC2CC2)CC1 57862329 DZJUOXBHNKUIDU-MRXNPFEDSA-N 315.417 1.561 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 78892528 IARDOFJCZONCDC-OAHLLOKOSA-N 316.361 1.458 0 40 DDAB O=C(NCCCn1cccn1)Nc1cnn(-c2ccncc2)c1 78974951 PFNRSQKSWFLKGY-UHFFFAOYSA-N 311.349 1.676 0 40 DDAB C[C@@H]1CCC[C@@H](CO)N1C(=O)CCNC(=O)OC(C)(C)C 89927462 QCMKHKSDMNTHSL-NEPJUHHUSA-N 300.399 1.663 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 40086872 FQHHGLNOANUZNR-MNOVXSKESA-N 314.407 1.838 0 40 DDAB Cc1nc(CN2CCN(c3nccc(N(C)C)n3)CC2)cs1 301720238 JAZITVHXAIRAGP-UHFFFAOYSA-N 318.450 1.630 0 40 DDAB Cc1ccc(N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)nn1 585234263 BRSXGFQTDPOUJY-ZIAGYGMSSA-N 304.394 1.297 0 40 DDAB Cn1nc(C(=O)N2C[C@H](CN)C3(CCOCC3)C2)cc1C1CC1 563115732 KWMUVGBQFFBWDW-ZDUSSCGKSA-N 318.421 1.125 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)Cc1c(Cl)cccc1Cl 88374287 LBSKZISBADZGNA-LLVKDONJSA-N 318.156 1.848 0 40 DDAB C[C@@H](CCO)CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 95961827 GIIIRYQBXQWSJM-GXFFZTMASA-N 301.383 1.652 0 40 DDAB CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1C)S[C@@H](C)C2 250213 PSZOLPRNYXACCX-YUMQZZPRSA-N 314.432 1.861 0 40 DDAB CCOC(=O)[C@](O)(NC(=O)Nc1ccc(F)cc1)C(F)(F)F 5831864 BWTPRZPEPJFKFX-LLVKDONJSA-N 324.230 1.761 0 40 DDAB Nc1nc(=O)c(I)c(C2CCCC2)[nH]1 16939699 MDOLQGQAWMTIKR-UHFFFAOYSA-N 305.119 1.614 0 40 DDAB Cc1c(CNC(=O)N[C@H](CO)Cc2ccccc2)cnn1C 153899936 CZRPDRPCARGFNY-HNNXBMFYSA-N 302.378 1.131 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cc3ccc(F)cc3[nH]2)CCO1 1848351988 IAILMSNEHYSHBG-MRXNPFEDSA-N 319.336 1.284 0 40 DDAB CCc1nn2c(=O)cc(CSc3nnnn3CC)nc2s1 22093412 ZJJJXKPSROTHLK-UHFFFAOYSA-N 323.407 1.012 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 23886878 OKWMSVQWDDBRLT-HNNXBMFYSA-N 322.430 1.928 0 40 DDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)C1(F)CC1)CC2 1565545093 DLGGFJSLYHHSLC-UHFFFAOYSA-N 319.380 1.515 0 40 DDAB O=C(O)CCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1 37395937 CAYFNUCXTRPVIL-UHFFFAOYSA-N 303.767 1.968 0 40 DDAB O=C(COc1ccccc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 217781173 NRUJLRDEZYXIBJ-LLVKDONJSA-N 320.370 1.362 0 40 DDAB CSc1ccccc1NC(=O)C(=O)NCCn1ccnc1C 38718280 NERORPCCTPKBAA-UHFFFAOYSA-N 318.402 1.668 0 40 DDAB Cc1noc(C2CN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 49482459 CDHNGPMWOYHGAL-UHFFFAOYSA-N 311.297 1.724 0 40 DDAB C=CC(=O)N1CC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 585292460 NCQOVECPHCDPBW-GFCCVEGCSA-N 310.361 1.821 0 40 DDAB Cc1ccc(C(=O)c2ccc(CC(=O)NCC(=O)O)n2C)cc1 6070817 IYNXNYQOVKPFMM-UHFFFAOYSA-N 314.341 1.308 0 40 DDAB Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2cccn2C)c1C 77101943 FDGZDHCFRFDZAB-OAHLLOKOSA-N 315.373 1.430 0 40 DDAB C=COCCNS(=O)(=O)c1ccc2sc(O)nc2c1 20161342 VCVHQGDQCRCJDY-UHFFFAOYSA-N 300.361 1.440 0 40 DDAB O=C(CS(=O)(=O)Cc1cccc(Cl)c1)NCC1CC1 40105978 JKKSEXJAFKBNAY-UHFFFAOYSA-N 301.795 1.781 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(c3nccs3)CC2)n1 31537405 BHDBEEQEEIZIJT-UHFFFAOYSA-N 305.407 1.305 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101419667 CHBDFQHJNUSUGR-WFZWMLOVSA-N 316.401 1.583 0 40 DDAB O=c1c(NCCc2ccc(O)cc2)c(NCc2ccncc2)c1=O 101695943 XMASWPHCFWBDPC-UHFFFAOYSA-N 323.352 1.650 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 21020118 LDCDYQWHQJEPMU-ZDUSSCGKSA-N 309.391 1.248 0 40 DDAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnnn2)cc1 52987815 UWOAMNHUYFUXDJ-HNNXBMFYSA-N 315.377 1.826 0 40 DDAB CCN1C(=O)C[C@H](N(C)Cc2nc3ccccc3s2)C1=O 103022650 DBASLUUQIAZNDU-NSHDSACASA-N 303.387 1.876 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(F)cc2F)s1 103088502 FPHHJHIBKWJTGZ-VAFXGQJBSA-N 323.364 1.939 0 40 DDAB COC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O 91639 XZHUPIKVUNTZKK-UHFFFAOYSA-N 301.302 1.274 0 40 DDAB Cc1nnc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)o1 78891315 RJVNSSPSSACFMY-HNNXBMFYSA-N 301.394 1.522 0 40 DDAB CCCC1(CCSC(=S)OCC)C(=O)NC(=O)NC1=O 1752234 WYHOZOFBOKXGKR-UHFFFAOYSA-N 318.420 1.584 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4702813 FFLXBNFRQNGMHI-SOUVJXGZSA-N 301.390 1.723 0 40 DDAB O[C@H](CN1CCCN(Cc2cccs2)CC1)Cn1cccn1 106107694 BJOFUDRWJPZYOH-OAHLLOKOSA-N 320.462 1.513 0 40 DDAB Cc1cnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 12538697 ZYONOBIFWZONOV-DCAQKATOSA-N 319.386 1.730 0 40 DDAB CCn1c(SCC(=O)NC(C)C)nc2cc(C)[nH]c2c1=O 57521976 QRGYMHCIQLFGEA-UHFFFAOYSA-N 308.407 1.670 0 40 DDAB O=C1C[C@H](Sc2nnc[nH]2)C(=O)N1c1ccc(F)c(F)c1 102242072 PQGRQOXQBVIASD-VIFPVBQESA-N 310.285 1.507 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1C(=O)N(C)C 25152434 ODJDDRXUXHYCIX-WCQYABFASA-N 317.389 1.489 0 40 DDAB O[C@@H]1CCCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 57126767 STTDSHOAGAHDRD-LLVKDONJSA-N 313.336 1.892 0 40 DDAB Cc1cc(C)c(OCC(=O)NCCN2CCOCC2)c(C)c1 26687766 WITZNDLNLUXHIP-UHFFFAOYSA-N 306.406 1.439 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)CCc2ccccc2Cl)CC1 57655119 WGNZEMZGPNJUSH-CYBMUJFWSA-N 310.825 1.798 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)CCCNC(=O)C2CC2)no1 48139601 IECPDSNVCJPYGW-CQSZACIVSA-N 305.378 1.953 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc2ccccc2oc1=O 21937670 XTJKMPQPAJNWCI-UHFFFAOYSA-N 316.357 1.780 0 40 DDAB COC(=O)[C@H](C)CN(C)Cc1csc(-c2ncccn2)n1 48275298 LGNQWABCABQSAH-SNVBAGLBSA-N 306.391 1.841 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)N(C)C 36078209 QLGUDGLJLZTAQH-AWEZNQCLSA-N 323.418 1.873 0 40 DDAB O=C(O)Cc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 105365084 HWSDHDPUYSAAOT-GVARAGBVSA-N 317.341 1.999 0 40 DDAB Cc1sc2nc(NCCN3CCOCC3)n(C)c(=O)c2c1C 58279988 BNHZPSJPRQGVKJ-UHFFFAOYSA-N 322.434 1.356 0 40 DDAB O=S(=O)(N[C@H]1CCN2CCCC[C@H]12)c1ccc(F)cc1F 44937592 BWECPMLJFKXRTJ-QWHCGFSZSA-N 316.373 1.870 0 40 DDAB COCCCNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 44902816 NIHDHFXGEOJCFB-UHFFFAOYSA-N 318.333 1.136 0 40 DDAB Cn1cc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cn1 107226342 AOGCGJQCMYWLGZ-GDBMZVCRSA-N 314.393 1.056 0 40 DDAB O=C(Cc1ccc(F)cc1)NCCc1csc2ncnn12 36112927 KYPULRKOZGJEBZ-UHFFFAOYSA-N 304.350 1.831 0 40 DDAB CN1CCO[C@H](CNC(=O)COCc2ccccc2Cl)C1 58312562 TVUBAUIPCGYIHJ-CYBMUJFWSA-N 312.797 1.303 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N(CC2CC2)CC2CC2)[C@H](C)CO1 76062184 JKNUXNFVCILBAE-VXGBXAGGSA-N 302.440 1.462 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)C)c1 11558478 IUKMKFOYZQSAFZ-UHFFFAOYSA-N 312.391 1.082 0 40 DDAB COC(=O)COc1c(Br)cc(C=O)cc1OC 2777248 ZHTBJCKPTFHJQE-UHFFFAOYSA-N 303.108 1.822 0 40 DDAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1 3412902 ATFRGLNGURZGBY-UHFFFAOYSA-N 312.391 1.625 0 40 DDAB COC(=O)c1ccc(NC(=S)NCCN2CCOCC2)cc1 20098148 UBOGLODUUOPVQJ-UHFFFAOYSA-N 323.418 1.092 0 40 DDAB C[C@H](C(=O)O)S(=O)(=O)Cc1cccc(Br)c1 19474407 YVZBJAQYFZPKSF-SSDOTTSWSA-N 307.165 1.837 0 40 DDAB in-vitro O=C(Nc1ccccc1C(=O)O)c1cccc(-n2cnnc2)n1 21157350 TVQCSAYOHBVRNI-UHFFFAOYSA-N 309.285 1.613 0 40 DDAB Cc1nn2cnnc2c(C)c1CCC(=O)NCc1ccccn1 71284341 WBOGSFPSQJMNPO-UHFFFAOYSA-N 310.361 1.385 0 40 DDAB CCS(=O)(=O)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 49003202 BOQBZJKXICATBE-VIFPVBQESA-N 301.364 1.424 0 40 DDAB CCN1CCC[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 63583113 AYWHPEJKPRSULN-LBPRGKRZSA-N 309.435 1.598 0 40 DDAB Nc1nc(N2CCC[C@@H](N3CCCC3=O)C2)nc2ccccc12 95449385 ISECSPSLOJMUFR-GFCCVEGCSA-N 311.389 1.803 0 40 DDAB Cc1cc(O)c2c(C)c(CC(=O)NCCCO)c(=O)oc2c1 4090027 FOXBVRDIXIBPBW-UHFFFAOYSA-N 305.330 1.157 0 40 DDAB biogenic Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1OCC(=O)O 49546368 UVXLPVMOHUVBIG-JTQLQIEISA-N 301.302 1.358 0 40 DDAB NC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 64488810 NWMWOUHSGUTESY-CHWSQXEVSA-N 318.764 1.764 0 40 DDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccnc1 14824155 NFQZTIUSPFQEEN-ZIAGYGMSSA-N 315.373 1.263 0 40 DDAB CCNC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 15224396 IVLCMYAIQZXOKF-UHFFFAOYSA-N 307.346 1.458 0 40 DDAB O=C(COCCc1ccccc1)NCc1nc(C(=O)O)cs1 95425458 DXNYXJNLQMGFAN-UHFFFAOYSA-N 320.370 1.717 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@H]1Cn1cccn1 71865356 WPFXVHZQZOXGIO-KBPBESRZSA-N 322.434 1.186 0 40 DDAB C[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cccn1 71863372 UAUULHNBRJXRHZ-GFCCVEGCSA-N 300.366 1.337 0 40 DDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(Cl)c1 7702623 GEPIWQXFHVLXAO-UHFFFAOYSA-N 302.783 1.239 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 7788082 WIYCINPLPVEDNT-CYBMUJFWSA-N 303.406 1.785 0 40 DDAB CC1CCN(C[C@H](O)Cn2nnc(-c3cccc(F)c3)n2)CC1 71832858 BCFHAQHTNPURHV-HNNXBMFYSA-N 319.384 1.572 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)C[C@H]2C=CCC2)cc1 8077507 DAJUEVWPZPRNRI-ZDUSSCGKSA-N 308.403 1.349 0 40 DDAB CC[C@](C)(NC(=O)c1cc(Br)cn1C)C(=O)O 94219496 HQCUKOACEQNCRZ-NSHDSACASA-N 303.156 1.771 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccccn3)CC2)o1 69485640 FTWXXYYFGQTFKU-UHFFFAOYSA-N 314.345 1.973 0 40 DDAB CCOc1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 69508119 FVZZEGVXFAQLRQ-CYBMUJFWSA-N 305.378 1.748 0 40 DDAB Cc1cn2nc(N3CCN(C[C@@H](O)C(C)(C)C)CC3)sc2n1 69624396 MJYZGUIGBJQCNP-GFCCVEGCSA-N 323.466 1.628 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 69772103 MIDJIVKTVGCPOS-CVEARBPZSA-N 302.418 1.705 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2ccnn2-c2cccc(Cl)c2)N1 69869345 BCWCYDWCLTXMEG-NSHDSACASA-N 304.737 1.743 0 40 DDAB CC[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O 69901375 PVKNGJDVBGNTDB-NSHDSACASA-N 314.389 1.988 0 40 DDAB O=c1[nH]nc(CCCNc2nnc(-c3ccccn3)s2)[nH]1 97049927 SEPNIWOHKGTNTG-UHFFFAOYSA-N 303.351 1.056 0 40 DDAB Cn1ncnc1NC(=O)NCc1ccc(N2CCCC2)nc1 97022524 XSEOLMTVOAVQPD-UHFFFAOYSA-N 301.354 1.132 0 40 DDAB O=C(Cn1cnnn1)NCc1cc(Cl)ccc1OC(F)F 73364344 KFZQEOFQIHIXEK-UHFFFAOYSA-N 317.683 1.244 0 40 DDAB CN1CC[C@@H](N(C)C[C@@H](c2cccs2)N2CCOCC2)C1=O 72286544 WOCLQICXKDBMST-KGLIPLIRSA-N 323.462 1.284 0 40 DDAB Cc1cccc2nc(CN[C@@H]3CCCC[C@H]3C(N)=O)cc(=O)n12 97103555 NJAROQQUAYCIEZ-ZIAGYGMSSA-N 314.389 1.137 0 40 DDAB CC(C)(CNS(=O)(=O)c1ccc(N)cc1)c1ccncc1 97376000 JIKLUIUJFVTDKC-UHFFFAOYSA-N 305.403 1.920 0 40 DDAB CCc1noc(CN(C)[C@@H](C)C(=O)NCCc2cccs2)n1 75138986 UHQCPPMCXXTCSL-NSHDSACASA-N 322.434 1.873 0 40 DDAB CCNC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 25055112 DMSNKHOZRDRWKZ-UHFFFAOYSA-N 313.357 1.654 0 40 DDAB COC(=O)C1(CNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 547946914 HEPHOEHIMRHACG-LBPRGKRZSA-N 322.405 1.237 0 40 DDAB COc1cc(C(=O)N2CCN3CCC[C@H]3C2)cc(OC)c1OC 27932024 WUPYUBFLKHIPLE-ZDUSSCGKSA-N 320.389 1.633 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC2(CCNCC2)C1 1551530153 KCSGKSOJYACEFX-HZPDHXFCSA-N 314.433 1.396 0 40 DDAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)C1(F)CC1)CC2 306135593 OVKYLZOBLXRYCC-CYBMUJFWSA-N 312.385 1.222 0 40 DDAB O=CNc1nc(NC=O)c(Br)cc1Br 62701877 BDYNEDGMKYNVEF-UHFFFAOYSA-N 322.944 1.743 0 40 DDAB Cn1nccc1/C=C/C(=O)N1CCCc2cc(C(N)=O)ccc21 120807263 ODQFZWJQPUZOKH-FNORWQNLSA-N 310.357 1.512 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NCCNc1cnccn1 30336368 ZICRPEZCCMQQHT-UHFFFAOYSA-N 310.354 1.315 0 40 DDAB CCCCNc1ccc(S(=O)(=O)NCC)cc1C(=O)O 217537975 JIOCNJQBMMVUMC-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB CCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 33658280 OAAITCTURVMWBP-UHFFFAOYSA-N 304.799 1.238 0 40 DDAB COCC(=O)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 72355358 IZNXAICYSZGMPL-LBPRGKRZSA-N 301.350 1.015 0 40 DDAB CS(=O)(=O)CCN1CCC(Nc2ccccc2F)CC1 72688266 DCBPKDCONBAPFO-UHFFFAOYSA-N 300.399 1.747 0 40 DDAB CC(=O)N1CCC(c2cnc(NCC3(C)COC3)cn2)CC1 72365517 QRGIZUVQUUITQP-UHFFFAOYSA-N 304.394 1.651 0 40 DDAB CCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 41262774 UKZDMAXRORAGMZ-UHFFFAOYSA-N 320.389 1.692 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@@H]1COC[C@H]1OC 565006071 XNXQDRGDIZMSGE-PSOPSSQASA-N 307.346 1.091 0 40 DDAB O=C(Cc1noc(Cc2cccc(O)c2)n1)NC1CCCC1 131994215 ZQRNUDZTFBCVMU-UHFFFAOYSA-N 301.346 1.967 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F 195544801 PYWMARSRXXGHEV-NEPJUHHUSA-N 302.296 1.351 0 40 DDAB COc1cc(NC(=O)c2ncn(C(C)(C)C)n2)ccc1C(=O)O 571803956 ARJZYAPZYZOXNK-UHFFFAOYSA-N 318.333 1.992 0 40 DDAB O=S1(=O)CC[C@@]2(CCCN(Cc3nc4ccccc4[nH]3)C2)C1 573911307 AILPWUNKFLUXSN-MRXNPFEDSA-N 319.430 1.964 0 40 DDAB CC(C)C[C@@H](C(=O)N(C)Cc1ncnn1C)N1CCCCC1=O 87355194 WXPNHIMQTIAQSR-ZDUSSCGKSA-N 321.425 1.201 0 40 DDAB Cc1cnn(Cc2cc(F)ccc2F)c1NS(C)(=O)=O 130009561 XUZZENQYGINYOA-UHFFFAOYSA-N 301.318 1.890 0 40 DDAB C[S@](=O)c1ccc(NC(=O)NCCCn2cccn2)cc1F 80129979 SBERSAJTBNWDPO-JOCHJYFZSA-N 324.381 1.971 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3ccccn3)C2)n1 96057626 LDWQNXKKHQVGRF-NWANDNLSSA-N 300.362 1.920 0 40 DDAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255460 QAUOFMBPIDFKMJ-RYUDHWBXSA-N 301.350 1.891 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CCN([C@H]1CCOC1)CC2 96254539 AEVZLAFEIPKFOU-AWEZNQCLSA-N 302.422 1.575 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(CC(=O)O)C[C@H]12 96251875 KXRUAISDNPUQLC-RDJZCZTQSA-N 302.374 1.336 0 40 DDAB CN(C)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C2=O 96202894 HYTNVUDPKYDGQB-UHFFFAOYSA-N 302.378 1.188 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(Cc4nccs4)C3)C2=O)cn1 96050518 GHMBRLXLHJXRAJ-OAHLLOKOSA-N 317.418 1.506 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 96072657 GLGDVZQIQRDVMO-WFASDCNBSA-N 323.418 1.219 0 40 DDAB COc1ccc(CN2C[C@H]3CN(c4cncnc4)C(=O)[C@H]3C2)cc1 96245209 REAYRGLKTOVARH-YOEHRIQHSA-N 324.384 1.580 0 40 DDAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc[nH]c1=O 95477652 LJYGOPWVPQJZFO-NSHDSACASA-N 320.374 1.870 0 40 DDAB O=C(CCc1nnc2ccccn2c1=O)NC1CCCCCC1 96231697 LVUSLVABQXKJGL-UHFFFAOYSA-N 314.389 1.861 0 40 DDAB Cn1ccc2c(C(=O)OC[C@@H]3CCCN3C(N)=O)cccc21 96442197 XBPBVOCCFVKVNG-NSHDSACASA-N 301.346 1.878 0 40 DDAB O=C(NCc1nccc(N2CCOCC2)n1)c1cccc(F)c1 96120866 HGSJJZSCXPBQLY-UHFFFAOYSA-N 316.336 1.382 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccn2)Oc2ccccc21 96111724 XINYWIBCNGIHIM-WFASDCNBSA-N 323.352 1.720 0 40 DDAB biogenic,in-vitro CO[C@@H]1CCN(C(=O)N(C)C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108615 BCPBEMMBHOHVRX-RRFJBIMHSA-N 307.394 1.482 0 40 DDAB C[C@@H](CNS(N)(=O)=O)Oc1ccccc1Br 96452502 FDTNOSPGHUMEDK-ZETCQYMHSA-N 309.185 1.010 0 40 DDAB Cc1ncoc1C(=O)N1CC2(C[C@H](OCC3CC3)CCO2)C1 248041728 PFAJFFDOHQDCJG-CYBMUJFWSA-N 306.362 1.783 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc(OCCN)cc2)C[C@@]12CCCO2 257203664 ARAWOWCEYGSANT-RDJZCZTQSA-N 320.389 1.044 0 40 DDAB COc1nc(OC)nc(N2CCC[C@H](c3cnccn3)C2)n1 257218542 DDMWEUOEQJFRHM-JTQLQIEISA-N 302.338 1.063 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ncccc2C)c1 257283027 OWLJGTUKJYYYHF-SFHVURJKSA-N 324.428 1.896 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCN2CCCC[C@H]12 42841643 CWVFVKJAXKYBAY-ZIAGYGMSSA-N 317.389 1.841 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)/C=C/c1ccccc1 253472077 IPKQDZLLSILVSA-KUCQQTCKSA-N 320.418 1.893 0 40 DDAB Cc1cc(NC2=NCCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 256029996 HKGBFILTVMLBAZ-LBPRGKRZSA-N 310.423 1.936 0 40 DDAB CCc1nnsc1C(=O)N(CC(=O)O)Cc1ccc(F)cc1 263021666 TZRVKZOHVGNMHW-UHFFFAOYSA-N 323.349 1.967 0 40 DDAB Cc1cc(C(=O)O)cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 263347889 URXCYDRWOVOCRJ-LBPRGKRZSA-N 311.359 1.000 0 40 DDAB Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1 585104732 SPBDSGVKJOUTQS-GOSISDBHSA-N 302.418 1.984 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccc2c(c1)CCC2 585279801 YOZINDXCTVPUIG-SFHVURJKSA-N 316.401 1.672 0 40 DDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1=O 585106924 LHRGXPNRWVEYHN-RHSMWYFYSA-N 316.376 1.963 0 40 DDAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N2CCF)CC1 585100818 XUCZBTBUUHLBRW-INIZCTEOSA-N 308.401 1.737 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)c1cnn(C)c1C 69350454 DRLYXCSELPSEOG-UHFFFAOYSA-N 315.373 1.852 0 40 DDAB O=C(NC1CC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29564396 VBABBWGMZDKEHY-CHWSQXEVSA-N 308.378 1.247 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)c1 69456737 DKWNMHXVCUHTQY-LLVKDONJSA-N 318.402 1.829 0 40 DDAB CC(C)Nc1cnc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 72364970 DWSVTVGSCXNDJL-GFCCVEGCSA-N 312.439 1.511 0 40 DDAB COc1ccc(Cl)cc1S(=O)(=O)NCC1(CO)CC1 49030157 BZXGDGQZHPHOBQ-UHFFFAOYSA-N 305.783 1.399 0 40 DDAB CS(=O)(=O)CCSc1nnc(NCC(F)(F)F)s1 57772989 XXXDVGRPXNFGNE-UHFFFAOYSA-N 321.371 1.649 0 40 DDAB CN(C)S(=O)(=O)CCCn1c(=O)sc2ccccc21 72674876 ZSQIXPHJQHYWHK-UHFFFAOYSA-N 300.405 1.345 0 40 DDAB O=C(NC1CC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 73895060 FMMWYJXCDBXHDW-UHFFFAOYSA-N 307.781 1.970 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73991114 WRTTZHXZPXKYEC-ILXRZTDVSA-N 307.438 1.473 0 40 DDAB C[C@H](O)CN1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C 106929147 HSIHCRXTKHQJMH-HOTGVXAUSA-N 314.433 1.759 0 40 DDAB C[C@H]1CCC[C@@H](C)CN1Cc1nc(CS(C)(=O)=O)no1 75767297 HTWLBJHEROIJBA-MNOVXSKESA-N 301.412 1.625 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CO[C@H]3CCC[C@H](C)C3)CCO2)n1 76045493 JXNBPZLQLBDSHD-UBHSHLNASA-N 322.409 1.608 0 40 DDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CC3CCOCC3)C2)C1=O 76058863 GZZJPSBDNBSOKE-BBRMVZONSA-N 309.410 1.065 0 40 DDAB COc1cccc(CN[C@H](CC(N)=O)C2CCOCC2)c1OC 95452885 ZNKXNFGSLVVOIV-CQSZACIVSA-N 322.405 1.464 0 40 DDAB CNS(=O)(=O)c1ccc([C@H](C)NCCc2nc(C)no2)cc1 89518333 GAUOACDOUNNYOW-JTQLQIEISA-N 324.406 1.179 0 40 DDAB Cc1cc(N(C)Cc2ccc3c(c2)OCCO3)n2ncnc2n1 60551476 JYKMJEQHBXIPDV-UHFFFAOYSA-N 311.345 1.840 0 40 DDAB CS(=O)(=O)C1CCN(C(=O)COc2ccccc2F)CC1 96103387 BYAYGNADVFTRTE-UHFFFAOYSA-N 315.366 1.240 0 40 DDAB CCS(=O)(=O)NCC(=O)N[C@@H](c1ccccc1)c1ccco1 96486164 QHDLWERBOPEXIN-HNNXBMFYSA-N 322.386 1.425 0 40 DDAB Cn1nc(-c2cccnc2)cc1C(=O)N[C@H]1CCNC12CCC2 1579988961 BEZLWLFEIADVQC-HNNXBMFYSA-N 311.389 1.497 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2ccc3ccccc3n2)CCS1(=O)=O 84678481 VJJBHYNAIROMTA-NEPJUHHUSA-N 318.398 1.882 0 40 DDAB NC(=O)CN(C1CCCC1)S(=O)(=O)c1cc2ccccc2o1 84936736 LRUWSPIXUVTHLI-UHFFFAOYSA-N 322.386 1.851 0 40 DDAB CS(=O)(=O)CCN(C[C@H](O)c1ccc(F)cc1)C1CC1 96424438 AYEDHZZFDMVMOR-AWEZNQCLSA-N 301.383 1.368 0 40 DDAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NC1CCCC1 14001047 PQZUEJFYYNVCRV-UHFFFAOYSA-N 310.357 1.937 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccccc1)CS2 15925044 JPUKKPLTRQZUTE-CZUORRHYSA-N 304.415 1.799 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169619625 AZERMEIHQZCSDJ-CRWXNKLISA-N 301.298 1.482 0 40 DDAB CCC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O 11804167 IZUGHSSVIHUXDW-SNVBAGLBSA-N 305.327 1.366 0 40 DDAB O=C(CSCc1ccccc1)N1C[C@H]2C[C@H]1CS2(=O)=O 575608896 WFIAWYWXFNCCNY-QWHCGFSZSA-N 311.428 1.318 0 40 DDAB CSCC[C@H](NC(C)=O)C(=O)NC1CCC(F)(F)CC1 575616396 JHUFEWGXFRNIGP-NSHDSACASA-N 308.394 1.938 0 40 DDAB CN(C)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cn1 24061335 UYDLMEIORFEBRI-UHFFFAOYSA-N 323.356 1.496 0 40 DDAB Clc1ccc(-n2nnc3c(N4CCNCC4)ncnc32)cc1 11920060 WKQKUCXRMCLBTO-UHFFFAOYSA-N 315.768 1.274 0 40 DDAB COc1cccc(CNC(=O)c2nsc(C(=O)O)c2N)c1 33268047 FAOMMUVDAIWHKH-UHFFFAOYSA-N 307.331 1.362 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)SCCOc1ccc(OC)cc1 50249952 AMHOFDBUGYQJCC-SNVBAGLBSA-N 312.391 1.651 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)c1ccccc1O 31326958 LNTMUTUNAFJHQO-UHFFFAOYSA-N 313.357 1.554 0 40 DDAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 100574215 LPCIQFTWJPPFLL-HUBLWGQQSA-N 318.354 1.571 0 40 DDAB C[C@@H]1CN(c2ccc(C(=O)NC[C@@H]3CCOC3)cn2)C[C@@H](C)O1 41366042 SSBNXTVCSVDTJZ-MCIONIFRSA-N 319.405 1.462 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1nc(C)cs1 41441913 IXKNWLMUOMNRBQ-LBPRGKRZSA-N 321.402 1.993 0 40 DDAB CC(C)c1noc(CCC(=O)NCCN2C[C@H](C)O[C@H](C)C2)n1 41807024 CRZQPRGCWZMQLK-BETUJISGSA-N 324.425 1.351 0 40 DDAB CCC(=O)Nc1nnc(SCC(=O)N(CC)CC)s1 416644 PVYNAIUFUPJSIQ-UHFFFAOYSA-N 302.425 1.847 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)n(C)c1 8937934 NYZRBURQGJRACM-UHFFFAOYSA-N 307.375 1.494 0 40 DDAB C[C@H](CNC(=O)CN(C)c1ncnc2[nH]cnc12)c1ccccc1 47403322 GBRNTFXTSDRETP-GFCCVEGCSA-N 324.388 1.709 0 40 DDAB CCCCn1nc(C(=O)OCC(=O)c2ccc[nH]2)ccc1=O 22881192 SBKVUTUISFCGIK-UHFFFAOYSA-N 303.318 1.411 0 40 DDAB O=C(NCCc1nnc2ccccn12)c1ccc2[nH]cnc2c1 24153590 BOQSNYNTRJMVEE-UHFFFAOYSA-N 306.329 1.578 0 40 DDAB O=C(NC1=NCCS1)c1cccnc1OCC(F)(F)F 24802250 PFRQUZBYGVHHOU-UHFFFAOYSA-N 305.281 1.855 0 40 DDAB Cc1nn(C)c2ncc(CNC[C@@H]3CN(C4CC4)CCO3)cc12 106379539 SXRUBCMDKOHAGL-OAHLLOKOSA-N 315.421 1.230 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN([C@H](C)c3nnc(C)o3)CCO2)n1 106666079 CLLPFHOPBYZJGQ-OCCSQVGLSA-N 305.382 1.653 0 40 DDAB Cc1noc(C)c1C(=O)N1CCN(C(=O)c2cccs2)CC1 25269684 ZRTKJOMCDRQKJC-UHFFFAOYSA-N 319.386 1.951 0 40 DDAB Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(C(N)=O)CC1 56841828 BOUGOFIVNUOGJB-HNNXBMFYSA-N 301.390 1.889 0 40 DDAB CCCCNC(=O)Cn1c(=O)n(CCC)c(=O)c2ccccc21 57477427 PNAUUVKFZPKQFS-UHFFFAOYSA-N 317.389 1.490 0 40 DDAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1C)C(C)C 58049245 XKZILJYHGBRDNH-ZDUSSCGKSA-N 315.391 1.480 0 40 DDAB Cn1cc([C@H]2OCC[C@@H]2CNCc2cnn3ccccc23)cn1 84317592 PUYWGYLSRKAHRT-DYVFJYSZSA-N 311.389 1.935 0 40 DDAB Nc1nccnc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 27500428 LNYQCCSWZDASJZ-LBPRGKRZSA-N 315.377 1.609 0 40 DDAB Cc1ccccc1CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O 44873921 FNUKEBRREIUUOM-CQSZACIVSA-N 310.419 1.377 0 40 DDAB CCOCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 170335785 OZUYNUSSSDOCMT-UHFFFAOYSA-N 317.389 1.369 0 40 DDAB C[C@H](NC(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1 44952255 WZEUZORANMBKIX-WCQYABFASA-N 301.350 1.956 0 40 DDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccncc1 44971504 RRVFFFVYFQDENB-HNNXBMFYSA-N 322.434 1.411 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)C2CCOCC2)ccn1 58420352 LIBCUSLYLTTYJA-UHFFFAOYSA-N 300.362 1.619 0 40 DDAB COC(=O)[C@H](F)CN1CCC[C@H](C(=O)N2CCC(C)CC2)C1 107051823 GBVSBTRZOVDOCB-UONOGXRCSA-N 314.401 1.468 0 40 DDAB O=C(NC[C@]1(CCO)CCOC1)c1cc(F)c(F)c(F)c1 84335095 YACQPUPYXNAZAQ-AWEZNQCLSA-N 303.280 1.623 0 40 DDAB COC(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 10865647 FGKZPQWFJHPAER-SECBINFHSA-N 300.332 1.117 0 40 DDAB O=C1NCCCC[C@@H]1Sc1nnnn1CCc1cccs1 10985502 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CCN(C(=O)Cn1c(NCCO)nc2ccccc21)C1CC1 65491731 AEFQARYTWNQJIK-UHFFFAOYSA-N 302.378 1.451 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 65449844 RWFYMGAIVVVHAC-WDEREUQCSA-N 300.380 1.039 0 40 DDAB O=C1C(Cl)=C(NC[C@@H]2CCCO2)C(=O)N1Cc1ccccc1 4482655 UPINMDZITVUWGF-LBPRGKRZSA-N 320.776 1.774 0 40 DDAB CN1CCN(C(=O)CCCc2nc3ccccc3s2)CC1=O 72293606 GPALTSGTCVJPGM-UHFFFAOYSA-N 317.414 1.920 0 40 DDAB CN(C(=O)Cn1[nH]c(=O)ccc1=O)[C@@H]1CCCc2ccccc21 65554457 FPYOEGHXXILTNL-CQSZACIVSA-N 313.357 1.073 0 40 DDAB Cc1ccccc1CNC(=O)Cn1ncc2cccnc2c1=O 95399415 PPPBMEVUKHLLMJ-UHFFFAOYSA-N 308.341 1.416 0 40 DDAB CN(C)CCn1cc(NC(=O)NC[C@@]2(C)CCCS2)cn1 84673483 GNZOEVSHGDLHQD-CQSZACIVSA-N 311.455 1.852 0 40 DDAB Cn1ncc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc21 14305701 HIFARQGGBQBQRY-UHFFFAOYSA-N 318.381 1.420 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(OC)c2)c1 14381258 YOLCKYVWFMXHSE-UHFFFAOYSA-N 316.313 1.282 0 40 DDAB CC(C)c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 6661426 SPSKLLOSCPRUHS-CHWSQXEVSA-N 310.444 1.670 0 40 DDAB COC(=O)CN(Cc1ccccc1C)C(=O)[C@@H]1CCC(=O)NC1 66291853 RVHGHYYBULZMSV-CYBMUJFWSA-N 318.373 1.023 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1 14710880 HEPHGOYCFVBMGE-HNNXBMFYSA-N 314.341 1.660 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc[nH]c2=O)[C@@H]1C 4864514 MTPIQBXMVJUTCD-WZRBSPASSA-N 306.362 1.473 0 40 DDAB CCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n[nH]c1=O 6888285 XMKKRMBJHFKOEQ-WDEREUQCSA-N 312.439 1.768 0 40 DDAB O=C(NCCCNC(=O)c1cnccn1)c1cccc(Cl)c1 4985350 GEJNWXWNHMJAMF-UHFFFAOYSA-N 318.764 1.680 0 40 DDAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C2CC2)[nH]n1 67731814 ICULABWVTOMIGF-GFCCVEGCSA-N 322.434 1.717 0 40 DDAB O=S(=O)(CCSc1cccc[n+]1[O-])Oc1ccccc1 7420328 HZRODLBMPOHYII-UHFFFAOYSA-N 311.384 1.821 0 40 DDAB COC(=O)[C@@]1(F)CCN(C(=O)NCc2sccc2C)C1 84257429 HREMRPZHDIUUPB-CYBMUJFWSA-N 300.355 1.853 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 7979728 SVAZZHLASICIKW-ZETCQYMHSA-N 313.741 1.313 0 40 DDAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1 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C[C@@H]1C[C@H](N2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)C(=O)O1 69840534 YMGCVZSCAFXDNM-JHNDHUHGSA-N 318.417 1.430 0 40 DDAB COc1ccc(C(=O)NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 18708355 GRTWWXYOPQPNIZ-RYUDHWBXSA-N 306.362 1.061 0 40 DDAB CC(C)N1CC[C@@H](Oc2ccc(C(=O)NC3CC3)cc2)C1=O 95406512 YTUSRSZNIQPYAV-OAHLLOKOSA-N 302.374 1.967 0 40 DDAB Cc1noc([C@H](C)OC(=O)c2cnc3sc(C)cn3c2=O)n1 95463262 PFDJOOBZJIKYMM-ZETCQYMHSA-N 320.330 1.674 0 40 DDAB COC[C@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CCO1 73914502 QJBPQDRYMCWZFQ-CQSZACIVSA-N 303.362 1.725 0 40 DDAB CCOC(=O)c1cccnc1N[C@H]1CCc2nc(C)nn2C1 95941123 BFYYYPBTOJMMPO-NSHDSACASA-N 301.350 1.585 0 40 DDAB C[C@@H]1CCCN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)[C@@H]1C 95962479 UPRFXMREFTYIGC-NFAWXSAZSA-N 307.442 1.853 0 40 DDAB CC(C)(C)OC(=O)c1ccccc1NC(=O)[C@H]1COCCO1 95985588 FJWLDTWAOKDNIL-CYBMUJFWSA-N 307.346 1.996 0 40 DDAB CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 95961899 FFHTWVRAZBBUQP-AWEZNQCLSA-N 324.446 1.726 0 40 DDAB NCc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 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40 DDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1nccn1C 76042809 UGOIEJYFHYKSQB-CJNGLKHVSA-N 303.410 1.638 0 40 DDAB O=C(c1ccccc1O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408617937 BLVVSUIQXUBEQH-LDLTYYASSA-N 309.321 1.586 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C)CC3)o2)n1 36611000 VVESRFVGXRFAGB-UHFFFAOYSA-N 302.378 1.529 0 40 DDAB O=C(O)c1ccc2c(c1)CCN(S(=O)(=O)N1CCCC1)CC2 530542076 ADPOQUIBEKMBBI-UHFFFAOYSA-N 324.402 1.126 0 40 DDAB CN(C)c1cc(C[C@H]2CNCCN(C3CCCC3)C2)ncn1 72355043 YOEOAKQPSJVODK-AWEZNQCLSA-N 303.454 1.549 0 40 DDAB C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N1CCOC[C@H]1C 79028975 KBCRAKQMYGMZRS-ZNMIVQPWSA-N 320.437 1.893 0 40 DDAB COC(=O)c1cc(Br)ccc1N1CCN(C)CC1 39951703 WBFFVVDESFYFOM-UHFFFAOYSA-N 313.195 1.988 0 40 DDAB CC1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 72238039 SHODZVTUDGEGRV-SJORKVTESA-N 316.401 1.843 0 40 DDAB CC(=O)N1CCC(c2cnc(N3CCC(O)CC3)cn2)CC1 72364937 GHNQNNNRHFQYGZ-UHFFFAOYSA-N 304.394 1.164 0 40 DDAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1 72227164 NWLUDMFVKCUTTK-HZPDHXFCSA-N 312.325 1.839 0 40 DDAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc1OC 72324763 ZZNORGIHCLYKFO-AEGPPILISA-N 306.406 1.343 0 40 DDAB O=C(O)c1cn([C@@H]2CCN(c3ccc4ccccc4n3)C2)nn1 562980650 GJXWHKSPSPBNGT-GFCCVEGCSA-N 309.329 1.976 0 40 DDAB COc1csc(C(=O)N2C[C@H](CN)C3(CCOCC3)C2)c1 563115035 JKIZGVZHLYRVQV-NSHDSACASA-N 310.419 1.584 0 40 DDAB CCOC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1 44890992 ZOHXVBJHMJIIRH-UHFFFAOYSA-N 301.302 1.153 0 40 DDAB Cc1noc(C)c1CCN1C(=O)[C@](C)(c2cnccn2)N=C1O 328863363 ZFZVQSMCMPWZCL-HNNXBMFYSA-N 315.333 1.296 0 40 DDAB C[C@H](C[S@@](C)=O)NC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 574354811 BKKVJKSNIUZWFG-QFQJTCEBSA-N 314.451 1.136 0 40 DDAB C1CO[C@H](COB(OC[C@@H]2CCCO2)OC[C@H]2CCCO2)C1 195751729 MCTPAFAHCPKXRC-SOUVJXGZSA-N 314.187 1.558 0 40 DDAB CCOCCCNC(=O)Cn1ccc(=O)c2cc(C)ccc21 225746804 YERLDXHXHUSEMH-UHFFFAOYSA-N 302.374 1.853 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@]2(CNCCO2)C1 1577184335 GSTVVGBNKTZJPT-RHSMWYFYSA-N 322.380 1.574 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)nn1 225433188 RRIKLMRYTWVGBX-WXJAXGNASA-N 315.329 1.771 0 40 DDAB C[C@H](NC(=O)c1nn[nH]c1-c1ccccc1)c1nnnn1C1CC1 194302895 HLEALOOUVGKJAN-VIFPVBQESA-N 324.348 1.284 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)C2CCCCC2)CC1 43979443 KETCYBKQQONOTR-UHFFFAOYSA-N 302.440 1.355 0 40 DDAB CC(=O)N1CCOC[C@]2(CCCN(c3ncc(C)cn3)C2)C1 96229347 GZOPOXDKXSVUNS-MRXNPFEDSA-N 304.394 1.250 0 40 DDAB CCN1C[C@H](COCC2CC2)[C@]2(CCN(C(=O)N(C)C)C2)C1 96219876 VTVYHYNEGWZFRF-NVXWUHKLSA-N 309.454 1.738 0 40 DDAB COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccccc1F 91690070 RMJZPHOLZRTRIG-VXGBXAGGSA-N 313.325 1.925 0 40 DDAB Cc1cc(CS(=O)(=O)c2nc(Cc3cccs3)n[nH]2)no1 195164224 HPPMMLCFXYNUOJ-UHFFFAOYSA-N 324.387 1.727 0 40 DDAB Cc1ccnn1-c1cccc(NC(=O)N[C@H]2CCN(C)C2=O)c1 96415850 KZLSDHYJRWJIEP-AWEZNQCLSA-N 313.361 1.533 0 40 DDAB Cc1c(F)cccc1S(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 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CCO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3c(c1)OCO3)C2 248378661 KFIGNNYTCREOSO-CYBMUJFWSA-N 319.357 1.825 0 40 DDAB CCN(C)C(=O)c1ccc(C[C@@H]2CCCN(C(C)=O)C2)nn1 257274308 NKKXYCQWABAFDL-ZDUSSCGKSA-N 304.394 1.370 0 40 DDAB COc1ccccc1[C@@H]1CN(C(=O)C2CCNCC2)CCN1C 257307656 SZRWOCMSWOROAW-INIZCTEOSA-N 317.433 1.510 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257327707 XCJAPIKRRJPATC-CYBMUJFWSA-N 313.361 1.599 0 40 DDAB Cc1ccn(CCC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)n1 257220303 DKIGEKFAQUQQFU-AWEZNQCLSA-N 301.394 1.786 0 40 DDAB CC(=O)N1CCN(Cc2cccc(Cl)c2)C[C@H](C(N)=O)C1 257324147 WNJNQFKDEWZHHD-ZDUSSCGKSA-N 309.797 1.106 0 40 DDAB Cc1cccc(N2CCO[C@@H](CCc3cc(O)ncn3)C2)n1 257269758 MRGTXEGCLLJPLQ-AWEZNQCLSA-N 300.362 1.724 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCC(Oc3ccccn3)CC2)C1 90607475 GUEMQTPLJMENQS-CQSZACIVSA-N 303.406 1.793 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCCc1ccoc1 96355098 IBFKJQMROAIYMZ-UHFFFAOYSA-N 302.330 1.263 0 40 DDAB O=C(O)c1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccn1 650767285 PBPPWOPWJWHEJG-OAHLLOKOSA-N 319.405 1.861 0 40 DDAB C[C@@H](C(=O)NCCc1cccs1)n1nc2c(cc1=O)CCC2 575620527 RVMWBWIRUPRRJS-NSHDSACASA-N 317.414 1.713 0 40 DDAB CC(C)[C@H](Cn1ccnn1)NC(=O)c1ccc2nsnc2c1 575615175 CBDXZVYVFVTOLL-ZDUSSCGKSA-N 316.390 1.737 0 40 DDAB O=C([C@@H]1CC=CCC1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 585603240 LQWDEMOLSYLMMO-OAHLLOKOSA-N 313.401 1.935 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)c1 585140927 LPVDOIHKPHWRSQ-UHFFFAOYSA-N 322.386 1.258 0 40 DDAB C[C@H]1C(=O)Nc2ccccc2CN1C(=O)Cn1cc(Cl)cn1 585141551 VRRYNRZIGHMHIB-JTQLQIEISA-N 318.764 1.906 0 40 DDAB CN1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585286539 ZRJQLNAWMOAIDW-GVDBMIGSSA-N 308.397 1.734 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2cc[nH]n2)CCO1 585275279 BVARCQRPYXGQJE-KRWDZBQOSA-N 315.373 1.164 0 40 DDAB Cc1nc2c(cc1C(=O)N[C@H](C)[C@H]1CCCO1)c(C)nn2C 27908332 BWUSPAKOOMQZHG-BXUZGUMPSA-N 302.378 1.882 0 40 DDAB CCOc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCOC)cc1 69737468 OWEDEBNTWXEUMC-DZGCQCFKSA-N 307.346 1.706 0 40 DDAB Cc1noc(C)c1CN1CCN(c2cc(N(C)C)ncn2)CC1 891773024 WBJLKLZVHRGVCH-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)c2cccc(F)c2)CC1 43979492 QABKZXSUPMGPJL-UHFFFAOYSA-N 314.382 1.227 0 40 DDAB O=C(O)C[C@@H]1CN(S(=O)(=O)CC2CCCCC2)CCO1 91294017 GQLYESHAJFICOO-GFCCVEGCSA-N 305.396 1.072 0 40 DDAB Cc1csc(N2CCN(CCCS(C)(=O)=O)C[C@H]2C)n1 106775830 UEBXPHIFVLDTEJ-GFCCVEGCSA-N 317.480 1.397 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]23C[C@@H]4CC[C@@]2(C(=O)[C@H]1O3)C4(C)C 5757354 NEDQAWRPFLOHDN-YAXZKHPUSA-N 320.341 1.176 0 40 DDAB Cc1csc(NC(=O)C[C@H]2CSc3nccc(=O)n32)n1 12236312 NTHRYDDUGGJEAQ-QMMMGPOBSA-N 308.388 1.684 0 40 DDAB CCS(=O)(=O)Nc1c(C(=O)OC)[nH]c2ccc(F)cc12 18057977 ZDJSTPKSXLDXHH-UHFFFAOYSA-N 300.311 1.855 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1coc2ccccc2c1=O 19576032 FHHUJWKASGMLKV-NWANDNLSSA-N 314.385 1.432 0 40 DDAB Cc1cccn2cc(C(=O)N3CCC[C@@]3(C)C(=O)N(C)C)nc12 19746501 ONBBWZBPZPZJQE-KRWDZBQOSA-N 314.389 1.726 0 40 DDAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C(C)C)CN3)cc1 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COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4127051 XQUCOWVOYICUFX-IFIJOSMWSA-N 316.357 1.652 0 40 DDAB CC[C@H](C)NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12 10254171 SOEREWBWIMLIKJ-QMMMGPOBSA-N 303.318 1.385 0 40 DDAB Cc1cnn(-c2cccc(N3CCN(c4ncccn4)CC3)n2)c1 365044714 IBBIKTMFCJYURF-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB C[C@@H](C(=O)O)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326477 RMJZAPNXMNVUBO-QFYYESIMSA-N 317.345 1.024 0 40 DDAB COc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(F)c1 7128199 WNWTYMPVEVDCMI-UHFFFAOYSA-N 324.333 1.734 0 40 DDAB Cn1c(CN2CCCc3cc(F)c(F)cc32)cc(=O)n(C)c1=O 40511292 NLHCLSVJMNSEPC-UHFFFAOYSA-N 321.327 1.315 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 262460 PWWYAESYBFUPEP-TZMCWYRMSA-N 316.467 1.743 0 40 DDAB Cc1noc(C)c1COC(=O)Cn1ncc(=O)c2ccccc21 52476657 UXMASQCHQRYWMZ-UHFFFAOYSA-N 313.313 1.745 0 40 DDAB Cc1cc(C)n2nc(C(=O)NCCN3CCC[C@@H](C)C3)nc2n1 47147823 BTCNHCJBPRHZKX-LLVKDONJSA-N 316.409 1.203 0 40 DDAB CCCCc1nnc(NC(=O)NCCc2cnn(C)c2)s1 47350670 PKYHFIUAIWYJBT-UHFFFAOYSA-N 308.411 1.978 0 40 DDAB NC(=O)c1cccc(Cn2cc(Br)ccc2=O)c1 47438955 OBDMOBMEZPNQKU-UHFFFAOYSA-N 307.147 1.758 0 40 DDAB CNc1snc(C)c1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 78788557 RJRHBQORCBARSX-NWDGAFQWSA-N 324.450 1.164 0 40 DDAB COC(=O)CCCN1CCN(c2cnc3ccccc3n2)CC1 79021942 CIUZJJKWTBZYFC-UHFFFAOYSA-N 314.389 1.705 0 40 DDAB CCc1oc(C(=O)OC)cc1Cn1cnc2c(cnn2C)c1=O 79021196 QIEHXSQMKYABEO-UHFFFAOYSA-N 316.317 1.120 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1 806830 JOYIBNNHEAHENH-LLVKDONJSA-N 303.387 1.567 0 40 DDAB CC(C)[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1 54192894 CTXRBEQJLKJVIZ-MRXNPFEDSA-N 301.390 1.571 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)[C@@H]1COc2ccc(Cl)cc2C1 42478622 YXLIRQBBSMHRKG-WCQYABFASA-N 322.792 1.676 0 40 DDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F 33924342 BGUSKOBUWORERC-NSHDSACASA-N 319.329 1.681 0 40 DDAB COc1ccc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)cn1 54729208 XGFAURKQABGVJL-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncccn2)nc1 107256944 FWMOMVLOENRPJZ-MELADBBJSA-N 313.361 1.329 0 40 DDAB Cc1nn(C)c(C)c1CN1CCC(Nc2cccnn2)CC1 105805973 XUPIUMIVKSVVIO-UHFFFAOYSA-N 300.410 1.903 0 40 DDAB C=Cn1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)n1 10119562 RNVQUJDTTRQRRY-UHFFFAOYSA-N 305.166 1.721 0 40 DDAB Cc1nnc(O)c2c1[C@H](c1ccc(Cl)cc1)n1nnnc1N2 10298409 PMBKFHFHDOHCKH-NSHDSACASA-N 315.724 1.825 0 40 DDAB COC(=O)[C@H](C)OC(=O)C[C@@H]1Sc2ccccc2NC1=O 8391618 MSMKDPBNULEUFZ-KWQFWETISA-N 309.343 1.594 0 40 DDAB NC(=O)C1(CN[C@H]2CSCCc3ccccc32)CCOCC1 95420238 UMSWPEFYCABWEL-HNNXBMFYSA-N 320.458 1.889 0 40 DDAB COc1ccnc(CN2CCCN(c3ccc(C)nn3)CC2)c1 106860785 UWCFHJPISAQDTB-UHFFFAOYSA-N 313.405 1.901 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)C1 107343657 HUPGRYLUQWABKD-FRRDWIJNSA-N 304.456 1.708 0 40 DDAB C[C@H](NC(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 9596137 MNRQXLRKZCEIMW-VIFPVBQESA-N 310.400 1.887 0 40 DDAB Cc1cccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[nH]2)c1 57523574 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DDAB Cn1cc(C(=O)NCc2ccccc2N2CCOCC2)cn1 58378331 IWLOOPCGMSWDIL-UHFFFAOYSA-N 300.362 1.187 0 40 DDAB CCc1c(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cnn1CC(C)C 95439572 MMKIWBLZVQZCFA-OLZOCXBDSA-N 320.437 1.875 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)COCc1ccccc1 48333767 XUSKCTAVTKWOHY-GJZGRUSLSA-N 318.373 1.381 0 40 DDAB CCOC(=O)C1=C(C)NN2C(=O)c3ccccc3N[C@@H]2S1 67172560 SHCYWDZAKJCIRP-AWEZNQCLSA-N 305.359 1.884 0 40 DDAB O=C(O)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 13167327 WPOPBKLQTDPPOD-DUXPYHPUSA-N 317.341 1.794 0 40 DDAB COCCNC(=O)C1CCN(c2ccc(C(C)=O)cc2)CC1 4052222 RVJPTSZJSGPBBD-UHFFFAOYSA-N 304.390 1.868 0 40 DDAB COc1cc(CCNC(=O)N2CC[C@@H]([C@H](C)O)C2)ccc1F 97108117 GKIMTDMVQVJUDZ-WCQYABFASA-N 310.369 1.789 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 6009327 FFLXBNFRQNGMHI-ILXRZTDVSA-N 301.390 1.723 0 40 DDAB C[C@H](NC(=O)N1CC[C@H](C(N)=O)C1)[C@H]1C[C@@H]1c1ccccc1 65495629 HIXZATLZVFYPAL-SPWCGHHHSA-N 301.390 1.695 0 40 DDAB CCOC(=O)C1CCN(C(=O)N[C@H](C(=O)OC)C(C)C)CC1 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COC(=O)[C@H]1CCCN1CC(=O)NCCc1ccc(Cl)cc1 71907762 CZTKLZSTMZJLJQ-CQSZACIVSA-N 324.808 1.636 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nnc(C)n3c2)c1 70038848 BPXRYEHFYDKJFE-OAHLLOKOSA-N 324.388 1.847 0 40 DDAB COc1ccsc1C(=O)N1CCC(c2nncn2C)CC1 69347331 PWWQXOVYIJSMSM-UHFFFAOYSA-N 306.391 1.905 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCCS(=O)(=O)c1ccccc1 95367865 UZTVBWMUHCNTLL-UHFFFAOYSA-N 321.402 1.241 0 40 DDAB C[C@@H]1CN(CCNC(=O)[C@@H]2COc3ccccc32)C[C@@H](C)O1 95396679 XBAIWEBXJMFWHS-UMVBOHGHSA-N 304.390 1.388 0 40 DDAB c1cnc(N2CCC[C@@H](CNc3ncnc4[nH]cnc34)C2)nc1 91687618 JDQDRGBPMHPPOQ-NSHDSACASA-N 310.365 1.471 0 40 DDAB Cc1ccnc(NC(=O)CN(C)CC(=O)N2CCCC[C@@H]2C)c1 69582639 ZNJWILHAXVBIEZ-AWEZNQCLSA-N 318.421 1.661 0 40 DDAB Cc1ccccc1[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 69537286 GSDVMXIASISHLA-CYBMUJFWSA-N 310.419 1.250 0 40 DDAB Cn1cnc(CNC(=O)N2CC=C(c3ccc(O)cc3)CC2)n1 91791588 VZOAPDDEUXJHLG-UHFFFAOYSA-N 313.361 1.520 0 40 DDAB O[C@@H](COCc1cccs1)CN1CCC[C@@H]1Cn1cncn1 69621028 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CCCn1nnnc1CN1CCC[C@@H]1c1noc(C(C)C)n1 75581743 PZEDRHQLAWTYFB-LLVKDONJSA-N 305.386 1.927 0 40 DDAB CNC(=O)NC(=O)CN1CC[C@@H](C)N(Cc2ccccc2)CC1 76120003 BECXOCREUIFZLR-CQSZACIVSA-N 318.421 1.038 0 40 DDAB CCOC(=O)[C@]12CCN(C(=O)OC(C)(C)C)CC[C@H]1CNC2 110915614 XDROUGXTKMAWFF-LRDDRELGSA-N 312.410 1.786 0 40 DDAB O=C(c1cc2c(s1)CCC2)N1CCN(c2cnccn2)CC1 25834218 UJKUMTOXUIJRNW-UHFFFAOYSA-N 314.414 1.989 0 40 DDAB Cc1cnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)nc1C 514683044 YZVXQSCMJKLIQD-GXTWGEPZSA-N 314.393 1.458 0 40 DDAB Cc1nc(C2CCN(C(=O)c3cscn3)CC2)cc(=O)[nH]1 72364180 VHXMSHXTFMERSZ-UHFFFAOYSA-N 304.375 1.555 0 40 DDAB CS(=O)(=O)N1CCC(c2cnc(-c3cccnc3)cn2)CC1 72365173 XVSZPIHWXQJOLP-UHFFFAOYSA-N 318.402 1.678 0 40 DDAB O=C(/C=C/c1ccccc1)NC(=S)NCCN1CCOCC1 35618536 HDYMMVQZUZPFBL-VOTSOKGWSA-N 319.430 1.023 0 40 DDAB COc1cc(C(=O)NC[C@@H](C)O)cc(OC)c1Br 35116215 RBSPKRQSKJPKAI-SSDOTTSWSA-N 318.167 1.577 0 40 DDAB CCOC(=O)c1cc(=O)c(Br)c(C(=O)OCC)o1 32155684 QMSGSLGPSWYZFK-UHFFFAOYSA-N 319.107 1.756 0 40 DDAB O=S(=O)(NCc1ccccn1)c1cnn(-c2ccccn2)c1 72238982 ZFGMJOUIEJEJRW-UHFFFAOYSA-N 315.358 1.141 0 40 DDAB CCc1nc2n(n1)[C@H](c1cn(C)nc1C)C(C(=O)OC)=C(C)N2 36621433 KFGQXEGHUROOCN-CYBMUJFWSA-N 316.365 1.344 0 40 DDAB CCOC(=O)CN1CCO[C@H](COc2c(C)cccc2C)C1 217493606 UPUSWDDJABPCST-HNNXBMFYSA-N 307.390 1.946 0 40 DDAB O=C1CC[C@H](C(=O)NCc2cc(-c3ccc(F)cc3)on2)N1 38753190 DWAVPTMZWMZRNY-GFCCVEGCSA-N 303.293 1.376 0 40 DDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72237974 IZJRLFYTZIYKQP-HOTGVXAUSA-N 320.389 1.128 0 40 DDAB CC(C)(C)OC(=O)N(CC1CCN(C(=O)CN)CC1)C1CC1 79409407 UVSFZLXDGGNRNW-UHFFFAOYSA-N 311.426 1.583 0 40 DDAB CCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217541076 JUBJIQTWRQFWME-VIFPVBQESA-N 316.379 1.130 0 40 DDAB COc1cc(NC(=O)Cn2cccc2C=O)cc(OC)c1OC 72331923 BRHAFAWRFUAIJY-UHFFFAOYSA-N 318.329 1.965 0 40 DDAB COC(=O)[C@H]1CN(C(=O)c2coc(C)n2)c2ccccc2O1 225890495 LXXBZOSEEGYHKS-CYBMUJFWSA-N 302.286 1.564 0 40 DDAB C[C@]1(NC(=S)OCCCCCCO)CCS(=O)(=O)C1 40167920 IZVALEUTXIDRHU-LBPRGKRZSA-N 309.453 1.007 0 40 DDAB Cc1nc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)cs1 225451782 AXAHBWGGDHLZDS-NSHDSACASA-N 304.375 1.925 0 40 DDAB COc1ccccc1CCn1ccc2c(nnc3ccnn32)c1=O 40388043 IGHMYRZDBBAANZ-UHFFFAOYSA-N 321.340 1.691 0 40 DDAB CC(C)CC(=O)N1CCN(c2ccc(-n3cnnc3)cc2)CC1 226280644 JEMONPCHPXNJMD-UHFFFAOYSA-N 313.405 1.962 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccc(C)cc1 96041419 NGFQABWGSGWJNB-ZMSDIMECSA-N 305.374 1.779 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(C)c21 96044763 DLRDBNWCPSSSRU-GFCCVEGCSA-N 300.362 1.130 0 40 DDAB Cc1cc(OC[C@H](O)CN2CCc3ccccc3C2)nnc1C 96415104 IWUZCMFYVRPJAZ-QGZVFWFLSA-N 313.401 1.891 0 40 DDAB C[C@H](CCN(C)C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 96455034 MQJQOVYFYFDXCC-VXGBXAGGSA-N 324.391 1.605 0 40 DDAB CO[C@@H]1CO[C@@]2(CCCN(S(=O)(=O)c3cccnc3)C2)C1 96107427 UVDUFQAGFOOJNS-JSGCOSHPSA-N 312.391 1.040 0 40 DDAB O=C(c1ccsc1)N1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 96245187 XFCULDANPWBABO-JSGCOSHPSA-N 313.382 1.878 0 40 DDAB O=C1N[C@H](c2cc(Cl)cc3cccnc23)N2CCOC[C@@H]12 93883423 MKZQNZOURHADFH-JSGCOSHPSA-N 303.749 1.717 0 40 DDAB O=C(O)c1cccc(Nc2ccnc(N3CCOCC3)n2)c1 96693840 OELAFDKTBKNXEJ-UHFFFAOYSA-N 300.318 1.755 0 40 DDAB COc1ccc(NC(=O)CCc2nnc3ccccn3c2=O)cc1 95478873 ZOICIEOQTVBLJF-UHFFFAOYSA-N 324.340 1.669 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227709 HQWVXZZQTGQCMN-IUODEOHRSA-N 307.419 1.758 0 40 DDAB COc1cc(N2CC[C@@H](OC)[C@@H]2Cc2cnn(C)c2)ncn1 96200196 ROXBCFLQIWLRJC-QWHCGFSZSA-N 303.366 1.055 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc2c([nH]c1=O)CCCC2 96449522 GJLITDXXGUWWRH-SJORKVTESA-N 324.380 1.642 0 40 DDAB O=C(O)[C@H]1[C@H]2CC[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 247421789 RINWWBKRWIXXRN-FHIRATQRSA-N 301.342 1.320 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257270258 MTJDLSBWXHWFTQ-OAHLLOKOSA-N 315.377 1.268 0 40 DDAB CC(C)S(=O)(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257277120 NWNGASZOQRDVHT-CYBMUJFWSA-N 313.423 1.259 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257331691 XTVJBIYPESDVRM-ZDUSSCGKSA-N 303.387 1.868 0 40 DDAB O=C(c1cncs1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257341691 ZLKZDURRZKQILK-NSHDSACASA-N 320.374 1.113 0 40 DDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCNC1 257290337 QCNMUSPPJUWAEB-JTQLQIEISA-N 305.403 1.438 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)ccn1 257302611 SDNYYNNZIYYFFK-OAHLLOKOSA-N 323.356 1.646 0 40 DDAB CN(C)Cc1cnc([C@H]2CN(C(=O)c3ccccc3)CCO2)[nH]1 257236667 HDDKZMKGDPLDQJ-OAHLLOKOSA-N 314.389 1.685 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c(F)c1F 629291774 OZDWCJSKLAQNON-LLVKDONJSA-N 307.318 1.661 0 40 DDAB Cc1cnc(NCC[C@H]2CCOC23CN(CC2CCC2)C3)nc1 585102863 LJFKSEKOSKYOBL-INIZCTEOSA-N 316.449 2.478 0 40 DDAB Cc1ccoc1C(=O)N1CCn2cc(C(=O)N(C)C)nc2[C@@H]1C 585096253 CVSJPOOHRQTRPM-NSHDSACASA-N 316.361 1.703 0 40 DDAB CN(C)C(=O)NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585112790 VLBZHGYGIDCWEN-CQSZACIVSA-N 319.434 1.773 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@H]12 585109659 YSDIIEKQPNHVDS-RBSFLKMASA-N 300.358 1.195 0 40 DDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C=C/c2cnc[nH]2)C1 585291479 PDMPTLCEJJWUDT-QNQFUXMYSA-N 316.405 1.672 0 40 DDAB Cc1cnc([C@@H]2CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)[nH]1 585181427 GVHDWDIYSWVSSX-ZDUSSCGKSA-N 312.333 1.203 0 40 DDAB C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 68001310 VMXIWHJXIIPACC-GXTWGEPZSA-N 301.390 1.860 0 40 DDAB Cn1cccc1C(=O)NS(=O)(=O)c1cccc2cnccc12 69595722 UIWURCWZAHZKFL-UHFFFAOYSA-N 315.354 1.692 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCC(Oc2ncc(F)cn2)CC1 1776009108 VGZRFCZTBUQAGG-ZDUSSCGKSA-N 324.356 1.348 0 40 DDAB COc1ccc(F)cc1CN1CCO[C@@H](c2nc(C)n[nH]2)C1 76048360 JAUOLKKBLOIADR-CQSZACIVSA-N 306.341 1.834 0 40 DDAB Cc1ccc(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1C 76065531 TUTRGRDGTONLMX-UHFFFAOYSA-N 324.384 1.861 0 40 DDAB O=C(CCc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1=O 78986824 MIONWTXBKJXYAG-GFCCVEGCSA-N 314.307 1.899 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cc(C)n(-c2cc(C)on2)c1C 1548448272 XKFASWQSNBZRJT-ZIAGYGMSSA-N 318.377 1.107 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N1CC(Cn2cncn2)C1 952964732 ODFMWTSQKXMOOA-UHFFFAOYSA-N 308.744 1.772 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCN1CCC(O)(c2cccc(F)c2)CC1 12326095 FZEIAVKEDLIMGW-XJKSGUPXSA-N 320.408 1.881 0 40 DDAB Cc1cc(C(F)F)nc(S[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)n1 18210328 QAUNUHCDUJOUHW-QXEWZRGKSA-N 302.302 1.898 0 40 DDAB Cc1ncc(C(=O)N2CC(C(=O)N3CCCCCC3)C2)c(C)n1 19747417 IDZYSTGXKTWBMC-UHFFFAOYSA-N 316.405 1.568 0 40 DDAB Cn1c(SCC(=O)Nc2nc[nH]n2)nnc1-c1ccccc1 19850397 JQDIAWLOHZWYPF-UHFFFAOYSA-N 315.362 1.331 0 40 DDAB COc1ccccc1NC(=O)C[C@@H](NC[C@H]1CCCO1)C(=O)O 4280035 YCFOOSURMNLMEP-DGCLKSJQSA-N 322.361 1.246 0 40 DDAB Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)C(C)(C)N)[C@H]2O)cc1 643585175 OYRHECLBCOSCEY-FVQBIDKESA-N 320.433 1.757 0 40 DDAB O=C(NCC1CCOCC1)c1cccnc1O[C@H]1CCOC1 253395500 BYKNGDOXHCNRGJ-ZDUSSCGKSA-N 306.362 1.406 0 40 DDAB COc1ccc(CCN2C[C@H](C(=O)N(C)C)CC2=O)cc1OC 6550241 GCKIQBUCPDGKDU-CYBMUJFWSA-N 320.389 1.183 0 40 DDAB O=C([C@H]1CN(c2ncnc3c2CCC3)CCO1)N1CCCCC1 1888835117 SWOVRSFSQXEVBL-OAHLLOKOSA-N 316.405 1.183 0 40 DDAB Cc1cc2c(=N[C@H]3CCN(C4CCOCC4)C3)[nH]ccn2n1 1889077121 DQPLOCPTKVXYSK-ZDUSSCGKSA-N 301.394 1.125 0 40 DDAB COCCNC(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889136064 UKZCMPFRKSKRFO-UHFFFAOYSA-N 308.407 1.637 0 40 DDAB Clc1snnc1CN1CCN(c2nccs2)CC1 21335738 GYPMTNVBXXXZGH-UHFFFAOYSA-N 301.828 1.970 0 40 DDAB CNC(=O)[C@H]1CN(Cc2sc(C)nc2C)CC12CCOCC2 2056225464 MNEGHIUSPGSAAM-CYBMUJFWSA-N 323.462 1.735 0 40 DDAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)C1CCOCC1 253408975 ZDWXYKVKSZDIDQ-HNNXBMFYSA-N 324.446 1.912 0 40 DDAB COc1cnc(O[C@H]2CCN(c3ncnc4cnccc34)C2)nc1 2087043833 YMNBBAKPAFIJIA-NSHDSACASA-N 324.344 1.481 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccncc2)cs1 6423483 XNQOLLGDEUNBCG-UHFFFAOYSA-N 316.342 1.293 0 40 DDAB COc1cccc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)c1 10088988 GKYILEFGGKHETK-CQSZACIVSA-N 324.402 1.869 0 40 DDAB CCc1cnc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)nc1 2086864875 PAARODBBBRUZOR-CYBMUJFWSA-N 305.426 1.074 0 40 DDAB COc1cnc(O[C@H]2CCN(c3ncnc4c3CCC4)C2)nc1 2086881867 QVYNGPGQDFRJIN-NSHDSACASA-N 313.361 1.422 0 40 DDAB O=c1cc2c(nn1CC1CCN([C@H]3CC[C@H]3O)CC1)CCCC2 585500660 NSIJVNIPDUHZMF-DLBZAZTESA-N 317.433 1.357 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(c3ncnc4n[nH]cc34)C2)nn1 2298061408 MGAAUBROCVBHAR-LLVKDONJSA-N 311.349 1.357 0 40 DDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1nccs1 11635250 YVTZEXTWHUJLAK-UHFFFAOYSA-N 310.360 1.422 0 40 DDAB CCCCCn1c(N[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 12647647 CTMQREBZTMZOJV-JTQLQIEISA-N 307.398 1.824 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1)c1ccccc1 13154141 AAIVVQDGLIMYBQ-KPWCQOOUSA-N 308.337 1.529 0 40 DDAB COCCS(=O)(=O)CC(=O)N[C@@H]1CCCc2ccccc21 40070243 CJLXJQNISQWWDC-CQSZACIVSA-N 311.403 1.241 0 40 DDAB O=S(=O)(Cc1cccc(Cl)c1)Cc1nnnn1C1CC1 40498797 QFCOKWMHDKLISX-UHFFFAOYSA-N 312.782 1.776 0 40 DDAB C[C@@H](N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(C)(C)C 101699639 PXFIZWQULMESTR-NUNXZZDCSA-N 318.417 1.687 0 40 DDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1 101512847 CLVUKIAXMWEDTK-UHFFFAOYSA-N 311.345 1.606 0 40 DDAB NC(=O)C1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 32843667 SNXLYWIEYCXSTK-UHFFFAOYSA-N 309.797 1.789 0 40 DDAB C[C@H]1CN([C@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H](C)O1 32816899 RMRAZWAERSQFOP-UPJWGTAASA-N 317.389 1.188 0 40 DDAB Cc1cc(COC(=O)C[C@@H](NC(N)=O)c2ccccc2)on1 21756043 RXLLBFZNFOVVEK-CYBMUJFWSA-N 303.318 1.826 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCOc1cccc(F)c1 32914637 SBYZLLYAEDRNJQ-UHFFFAOYSA-N 305.353 1.914 0 40 DDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC2=NCCS2)c1 32996127 IOXIBAXIEIFTMY-UHFFFAOYSA-N 320.374 1.436 0 40 DDAB CCOC(=O)CCNS(=O)(=O)c1ccc(OC)c(C)c1 41684599 GNTKJZSFOWVBJE-UHFFFAOYSA-N 301.364 1.235 0 40 DDAB CC(=O)c1ccc(NC(=O)CCN2CCN(C(C)=O)CC2)cc1 22197701 NRSXNOZLMLZCDX-UHFFFAOYSA-N 317.389 1.382 0 40 DDAB Cc1ccc(CCC(=O)Nc2cnn(CC(N)=O)c2)c(C)c1 53413831 IDOYCFIPPVPYER-UHFFFAOYSA-N 300.362 1.557 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1ccccc1 42026712 FAUZWLDVNNHFOU-CABCVRRESA-N 307.415 1.655 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3)cn2)CCO1 47186869 KIJVWKCTWATGOK-ZDUSSCGKSA-N 312.373 1.632 0 40 DDAB CC1(C)NC(=O)N(CCCC(=O)N2CCc3ccccc32)C1=O 22737573 AIGYZHCFUPDEOX-UHFFFAOYSA-N 315.373 1.686 0 40 DDAB CC(=O)O[C@H](C(=O)Nc1cnc(C)nc1N)c1ccccc1 1751661 QKBHHIKGVXJUOQ-ZDUSSCGKSA-N 300.318 1.610 0 40 DDAB O=C(NCCc1ccccn1)[C@@H]1CCCN(C(=O)C2CC2)C1 42382264 JUZBRXLPCJOKKT-CQSZACIVSA-N 301.390 1.389 0 40 DDAB Cc1cnc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 97198877 ZRCMFEUPCZTCJD-LLVKDONJSA-N 300.366 1.245 0 40 DDAB Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cncc(F)c1 72300185 GPKWXSWSFOCHDO-ZDUSSCGKSA-N 324.381 1.579 0 40 DDAB O=C(O)[C@@H]1CS[C@@H](c2ccc(O)c(Br)c2)N1 6220261 FKLBPKUONNRYRK-CBAPKCEASA-N 304.165 1.943 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCC(C)C 6847823 SHGDKEZUZLHFLD-UHFFFAOYSA-N 304.398 1.418 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C(N)=O)c1cccs1 43095364 LYTBDMPPPFTFAX-MNOVXSKESA-N 310.423 1.010 0 40 DDAB COc1cccc([C@@H](CNC(=O)Nc2nncs2)N(C)C)c1 43130218 NHGRKEQCDQGLBB-GFCCVEGCSA-N 321.406 1.971 0 40 DDAB CC[C@@H](CO)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 8326276 HCHXPHSHKPAHQC-JTQLQIEISA-N 316.785 1.073 0 40 DDAB CCc1cc2c(=O)n(CC(=O)N3CCO[C@H](C)C3)cnc2s1 24834289 PCLWRILYUFCRDA-SNVBAGLBSA-N 321.402 1.268 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)NC(C3CC3)C3CC3)cc2[nH]1 55415356 PIDJREDDYAJFBD-UHFFFAOYSA-N 307.375 1.323 0 40 DDAB Cc1nc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)nc2ccccc12 106840923 ZYRNBXUMLSHTLE-UONOGXRCSA-N 314.433 1.825 0 40 DDAB C[C@@H](O)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 22858734 DZJBWPMAQOFXPB-BPQIPLTHSA-N 320.433 1.142 0 40 DDAB NC(=O)OCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 97371442 KVCCYOAQVBJJGQ-JGVFFNPUSA-N 300.717 1.794 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CCC(CC(N)=O)CC2)cc1 56088982 UNGCSGFJXXTFQZ-DHZHZOJOSA-N 322.430 1.883 0 40 DDAB Cn1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)n1 26188677 RUDNAVLNYWHXAJ-UHFFFAOYSA-N 313.405 1.176 0 40 DDAB CC(=O)Nc1nnc(-c2ccc(S(=O)(=O)C(C)C)cc2)o1 9813717 SIBRTGHOGSBWSE-UHFFFAOYSA-N 309.347 1.877 0 40 DDAB Cn1cnc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1Cl 26527739 AGNMEWPTSDCOSY-UHFFFAOYSA-N 315.738 1.573 0 40 DDAB CCCNC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 2093776 IZGFXPHIRULHHC-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB COc1ccccc1CCNC(=O)c1n[nH]c(=O)c2ccccc12 12688437 DFEDOODKFAQRKG-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cn1 27596097 JASATTYFQAOTLR-GFCCVEGCSA-N 313.361 1.735 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC2CCCCC2)C1 48264824 GHZMVUBQMFJFMI-CYBMUJFWSA-N 317.455 1.290 0 40 DDAB NC(=O)CN(Cc1ccco1)Cc1cccc2c1OCCCO2 48276965 PJDUKYPNHUQUMF-UHFFFAOYSA-N 316.357 1.928 0 40 DDAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 101359992 GZMDFKKLXHSWDH-MWDDYTRKSA-N 313.309 1.608 0 40 DDAB O=C(O)[C@H]1[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]2CC[C@@H]1C2 102329508 LUUTZQREDZURBN-FVCCEPFGSA-N 309.362 1.099 0 40 DDAB CCC[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 95395488 LOJJJIMPXRSROW-STQMWFEESA-N 303.406 1.917 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 71144624 SESHFJQDKMHNGI-LLVKDONJSA-N 302.827 1.878 0 40 DDAB C[C@@H]1CC(=O)c2cc(C(=O)NCc3ccccn3)c(=O)[nH]c2C1 49551852 JFAFBIOYGLXUBL-JTQLQIEISA-N 311.341 1.465 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)Cc1n[nH]c2ccccc12 65099150 PHQNGJWXQSITEX-AWEZNQCLSA-N 300.362 1.233 0 40 DDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCCCO 5270266 ZVAKKGURTFYRSP-UHFFFAOYSA-N 317.341 1.159 0 40 DDAB CCc1cc2c(=O)n(NC(=O)c3cc(C)no3)cnc2s1 14158550 KHADMFOITHERED-UHFFFAOYSA-N 304.331 1.701 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 14165657 SQEHNPSDRXEGJE-OUAUKWLOSA-N 318.377 1.292 0 40 DDAB COCCN1CC[C@@]2(CN(C)C[C@H]2c2cn(C(C)C)cn2)C1=O 306127804 GIBMRDCYRHTDHV-YOEHRIQHSA-N 320.437 1.358 0 40 DDAB Cc1cnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1 14201963 UUBJMDBCXQVHOY-UHFFFAOYSA-N 322.390 1.645 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccccc1 14363485 ZNZMKWYMXKKPKY-UHFFFAOYSA-N 318.398 1.867 0 40 DDAB O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(C2CC2)n[nH]1 66052752 RYFUEHXYUMPLMM-UHFFFAOYSA-N 320.271 1.904 0 40 DDAB Cc1cc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)on1 97015992 IHMFRUIGFUNEFL-CYBMUJFWSA-N 302.334 1.741 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1C(N)=O 66965611 BOETZJOXZAWWJK-VXGBXAGGSA-N 302.330 1.699 0 40 DDAB O=C(Nc1cc(F)c(F)c(F)c1)C(=O)NC1CCOCC1 84335100 UMRQKSAPXFRDBF-UHFFFAOYSA-N 302.252 1.338 0 40 DDAB O=C(CO)NC[C@@H]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C1 67909340 JCFLKBSHMPOWNU-NSHDSACASA-N 320.418 1.069 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1 15987054 IOIPESYCISLLGT-ZCFIWIBFSA-N 302.356 1.233 0 40 DDAB CCN(CC)C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408976816 UBSUOUZGEWCVGV-UHFFFAOYSA-N 324.340 1.759 0 40 DDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 69148587 KBVUADMSGNNRMG-RDJZCZTQSA-N 318.417 1.665 0 40 DDAB COCC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 70081118 CJSKUVJMNZJBBY-UHFFFAOYSA-N 313.375 1.432 0 40 DDAB COc1ccc([C@H]2C[C@H]2C(=O)NCCN2CCN(C)CC2)cc1 69415040 KXKPQRDZEQLXAX-IAGOWNOFSA-N 317.433 1.162 0 40 DDAB O=C(Cn1cccnc1=O)NCC1(c2cccs2)CCCC1 69534961 MASBBXIPRBCMOH-UHFFFAOYSA-N 317.414 1.933 0 40 DDAB CCN1CCC(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)CC1 69662786 NBVBKWJVFPHTAD-INIZCTEOSA-N 319.453 1.158 0 40 DDAB CCC(=O)N1CCN(Cc2ccc(F)cc2C(=O)OC)CC1 69660853 JVMUFAHIGKUDQZ-UHFFFAOYSA-N 308.353 1.667 0 40 DDAB CN1CCN(C(C)(C)CNC(=O)c2ncc(C(C)(C)C)o2)CC1 69743299 UVOXOPHSALKRFL-UHFFFAOYSA-N 322.453 1.728 0 40 DDAB Cn1cccc1C(=O)NS(=O)(=O)N1CCc2ccccc2C1 69843781 NEZRKPYKIOAEDE-UHFFFAOYSA-N 319.386 1.058 0 40 DDAB CC(C)c1nc2n(n1)C[C@@H](NCCOCC(F)(F)F)CC2 69982880 PROVBJVOCQNOIQ-JTQLQIEISA-N 306.332 1.885 0 40 DDAB O=C(NCC[S@@](=O)Cc1ccccc1)NC1(CO)CCCC1 95416174 XKPWVZMYQPHIIX-QFIPXVFZSA-N 324.446 1.540 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)CCc3ccccc3)C2=O)cn1 98010425 GTWMIWNMWOMDIC-OAHLLOKOSA-N 312.373 1.274 0 40 DDAB C[C@H]1CN(Cc2cccc(C(N)=O)c2)CCN1CC(F)(F)F 95977682 XMWNGNAITDUWCO-NSHDSACASA-N 315.339 1.854 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(C)c1 95996940 SDAPRGWTQVOZFF-UHFFFAOYSA-N 311.359 1.135 0 40 DDAB CC(C)[C@H](NC[C@@H](O)c1ccccc1F)C(=O)N1CCOCC1 95985489 BSPCJQOMTWBGKG-CVEARBPZSA-N 324.396 1.332 0 40 DDAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1cnn(C)c1 95960167 RIEDSUSBOQOLAE-ZDUSSCGKSA-N 316.361 1.182 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)n1 95956712 HUUWQSSIAOBVIG-KGLIPLIRSA-N 315.377 1.621 0 40 DDAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCOC)cn2C 22237105 SFEDZWOJIQXDFQ-UHFFFAOYSA-N 304.346 1.313 0 40 DDAB Cc1cccc(C)c1NCC(=O)N[C@@H]1CCCS(=O)(=O)C1 89688846 ACLNEGNXCVGOHR-CYBMUJFWSA-N 310.419 1.409 0 40 DDAB NC(=O)c1n[nH]c2ccc(NC(=O)CC[C@H]3CCCOC3)cc12 89799426 CGYBDIYZHSMVPL-SNVBAGLBSA-N 316.361 1.807 0 40 DDAB CNc1snc(C)c1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76056919 CBHQLGGDWOCACD-CMPLNLGQSA-N 324.450 1.286 0 40 DDAB CNC(=O)NCC(=O)N1CCC(c2cc(C)ccc2C)CC1 1551160443 NWLMARXLSRKGEQ-UHFFFAOYSA-N 303.406 1.938 0 40 DDAB CCCCc1nnc(SCC(=O)N2CCOCC2)n1CC 408560207 DOLGDISIMXTJEP-UHFFFAOYSA-N 312.439 1.592 0 40 DDAB O=C(CCCn1cnnn1)N1CCc2c([nH]c3ccccc23)C1 524734425 DOKKQMKHQWAUDX-UHFFFAOYSA-N 310.361 1.520 0 40 DDAB N=C1O[C@H]2CSC[C@@H]2N1C(=O)c1ccc2c(c1)OCCO2 72342802 MXSSRIDNJJNADD-CABZTGNLSA-N 306.343 1.349 0 40 DDAB CN(C)CCNC(=O)Cc1cc(-c2ccc(F)cc2F)on1 38497193 DFMWHGQIRZTWMH-UHFFFAOYSA-N 309.316 1.840 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)cc1 61957996 VIIHDYGCBIYCCK-UHFFFAOYSA-N 311.403 1.769 0 40 DDAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O 77263875 GSSCJKIYBDPYDD-INMHGKMJSA-N 320.433 1.457 0 40 DDAB biogenic,in-vitro NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392829 RMHIZQHCPPOEIR-UONOGXRCSA-N 305.378 1.299 0 40 DDAB O=S(=O)(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCC[C@H]1O 75604215 KJFDWZUTSBMGJO-HUUCEWRRSA-N 321.402 1.918 0 40 DDAB Nc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1 41547674 CDGJNNXICHLJIP-UHFFFAOYSA-N 311.385 1.996 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCc1cn[nH]c1 571135386 ZQCUKXFBKLMZQI-AWEZNQCLSA-N 316.409 1.849 0 40 DDAB Cc1cccc(OCc2cn(CC(=O)N3CCCC3)nn2)c1 227160437 FNLIVGQIRIPZFA-UHFFFAOYSA-N 300.362 1.788 0 40 DDAB CC(C)C[C@H](C(=O)N(C)Cc1ncnn1C)N1CCCCC1=O 87355195 WXPNHIMQTIAQSR-CYBMUJFWSA-N 321.425 1.201 0 40 DDAB Cc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1Cl 195546304 LFISZYQHKLSDKX-CYBMUJFWSA-N 312.797 1.071 0 40 DDAB Cc1oc(C(=O)N(C)[C@H](C)c2ccco2)cc1S(N)(=O)=O 88577126 YQAVGDBJGCXENU-MRVPVSSYSA-N 312.347 1.662 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 96414735 JBAYQFIABVMBMR-KGLIPLIRSA-N 304.390 1.736 0 40 DDAB Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)no1 96454582 MNNVCPXARWZFJQ-UHFFFAOYSA-N 305.378 1.481 0 40 DDAB COC[C@H]1COCCC12CCN(C(=O)c1ccnnc1)CC2 96106271 PRIMSZDEQJYTGK-AWEZNQCLSA-N 305.378 1.382 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)NCc3ccccc3)C[C@H]12 96185405 OTDWSOWHQWOMTL-YESZJQIVSA-N 317.433 1.795 0 40 DDAB CC(C)N(CC(F)(F)F)C(=O)Cn1ncc2c1C[C@H](O)CC2 331232484 FLOJAHOQGBQLAI-LLVKDONJSA-N 319.327 1.532 0 40 DDAB C[C@@H](O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 96494416 WYCLUUHABSWVSD-NXEZZACHSA-N 313.195 1.525 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(C)C)cn1 96041480 DVGXTIUSGNJERS-ARFHVFGLSA-N 319.405 1.830 0 40 DDAB CN(C)CCO[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCCO[C@H]12 97953778 MOKQFZQGCAXVHI-ZACQAIPSSA-N 318.417 1.637 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 96181157 BBPACNFCPSVLKF-FZMZJTMJSA-N 309.435 1.335 0 40 DDAB Cn1cccc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257261767 LISDMBBPUDIXSD-QGZVFWFLSA-N 314.389 1.181 0 40 DDAB COc1ccc(CC(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257247487 IZFUDVBWAUUWMM-RDJZCZTQSA-N 305.374 1.380 0 40 DDAB O=C(CCc1ccccc1F)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257206747 BETPEMZESUBXPE-JFIYKMOQSA-N 320.408 1.862 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(C3CCOCC3)CCN2C)c1 257283993 PAUNUGMRPPKGNF-KRWDZBQOSA-N 317.433 1.514 0 40 DDAB CC(=O)N1CCC(Cc2cc(N3CCOC3=O)ncn2)CC1 257311930 ULRBVOVOVAEFKK-UHFFFAOYSA-N 304.350 1.234 0 40 DDAB COc1cc(C(=O)O)ccc1NC(=O)CCc1cnn(C)c1 263058549 XCFIQXLFRRBMRI-UHFFFAOYSA-N 303.318 1.698 0 40 DDAB COC[C@]1(C)CN(C(=O)Nc2cc3cc[nH]c3cn2)CCO1 626601612 OCAVDTJRYQOZRC-HNNXBMFYSA-N 304.350 1.832 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575404009 KVJMLJOLSFEDML-UPJWGTAASA-N 303.362 1.271 0 40 DDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)N(C)C)C2)c1 575402485 AZKZNCUCJQUEKU-HNNXBMFYSA-N 312.373 1.477 0 40 DDAB COc1ccc2ccccc2c1CN(C)[C@@H]1COC[C@@H](O)[C@H]1O 585291486 PFLWPDKCJLBIKD-NUJGCVRESA-N 317.385 1.401 0 40 DDAB O=C(c1ccc2ccccc2n1)N1C[C@H]2C[C@H]1CS2(=O)=O 585148884 DUEIERUJZBPKNP-NWDGAFQWSA-N 302.355 1.246 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1Cc1ccc2c(c1)OCO2 585094763 LQIVPPKUEBHXMH-CYBMUJFWSA-N 315.373 1.722 0 40 DDAB O=C(c1ccc(O)nc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 585147287 NPDXWTDRJDNHPY-LBPRGKRZSA-N 318.308 1.400 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2nccc3sccc23)C1 681975380 BFSRYQKJYPFUMO-SNVBAGLBSA-N 311.432 1.814 0 40 DDAB Nc1ncccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 67292102 VOZMNVCSHQNLPX-UHFFFAOYSA-N 300.337 1.765 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H]2[C@H]([C@H]1CO)N2C(=O)OC(C)(C)C 953122475 FAGJVKLOERDLDU-RRRZRGNOSA-N 314.382 1.586 0 40 DDAB O=C(CCS(=O)(=O)c1ncccc1Cl)NC1CCCC1 49101581 TYYIHZQFQJQQAP-UHFFFAOYSA-N 316.810 1.958 0 40 DDAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)CCC(=O)N2 53801917 NSNGUZDZDQMBFP-SNVBAGLBSA-N 311.341 1.751 0 40 DDAB NC[C@H]1CC[C@H](NC(=O)c2ccc3c(O)ncnc3c2)CC1 1580331676 AYKOXDVLNAQEDM-UMSPYCQHSA-N 300.362 1.583 0 40 DDAB CCn1nccc1S(=O)(=O)NCCc1ccc(C(=O)O)cc1 548524728 VEYUKGBTHGKUNC-UHFFFAOYSA-N 323.374 1.122 0 40 DDAB COc1cccc(C2=N[C@H](C(C)C)CO2)c1NS(C)(=O)=O 214976471 YXGJTTRPXOAJEA-NSHDSACASA-N 312.391 1.868 0 40 DDAB in-vitro CCNc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 7247365 SNOBHZRQHRWPRW-LURJTMIESA-N 303.413 1.282 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cc(F)cc(C(F)(F)F)c1 1548448159 OUXOKMCKYSLFMR-GHMZBOCLSA-N 306.259 1.561 0 40 DDAB O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)C1CCOCC1 14949552 CULNZAATYJXZEJ-HNNXBMFYSA-N 308.422 1.710 0 40 DDAB CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C)c1ccccc1O2 15109635 MBZBEJPFIVHAQP-UHFFFAOYSA-N 318.354 1.977 0 40 DDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)[C@H]1CCCO1 225807959 SMPIAEYUXMEUJJ-SECBINFHSA-N 314.267 1.543 0 40 DDAB O=C(NC[C@H]1CCCO1)N[C@H]1CC(=O)N(c2ccccc2)C1 4359865 HAIVNHFKMWHTEH-GXTWGEPZSA-N 303.362 1.270 0 40 DDAB CCN(CCO)c1nc(N2CCCCC2)c2cnn(C)c2n1 4375024 SVUNIIZONHXFRD-UHFFFAOYSA-N 304.398 1.172 0 40 DDAB NC(=O)[C@@H]1CCCN1c1ncc2cc(Br)ccc2n1 1889103565 UITOXOWIXFRQJV-NSHDSACASA-N 321.178 1.846 0 40 DDAB Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1F 1889122777 WFYWHZCEQHJZMV-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB Cn1cc(C(=O)N2CCC(O)(COc3ccccc3)CC2)cn1 2037905571 HWNFFDZLCLZADL-UHFFFAOYSA-N 315.373 1.466 0 40 DDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(O)cc1 85413745 YNMDEEIJGDFDRK-TZMCWYRMSA-N 302.282 1.720 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cnn4ccccc34)CC[C@@H]2C1 1565550402 BZRWODLXICYPCD-CZUORRHYSA-N 314.389 1.127 0 40 DDAB O=C(Nc1nnc(-c2ccno2)o1)[C@H]1COc2ccccc2O1 12234521 ZFGHBTRBTBYLOT-LLVKDONJSA-N 314.257 1.503 0 40 DDAB CCN=c1cc(C)nc(N2CCN(c3nc(C)ns3)CC2)[nH]1 2086881859 OPLZVERTMXCXKX-UHFFFAOYSA-N 319.438 1.125 0 40 DDAB O=C1O[C@H]2C[C@H]1N(C(=O)CSc1nc3ccccc3s1)C2 101452731 WAJVHPLTTKEGSS-WCBMZHEXSA-N 320.395 1.915 0 40 DDAB O=C(Cn1ncccc1=O)N1CC[C@H](n2cnc3ccccc32)C1 575616996 MAOQTDLDQLNFHX-ZDUSSCGKSA-N 323.356 1.067 0 40 DDAB Cn1cccc(C(=O)NCc2cncc(-c3ccco3)c2)c1=O 575619529 VIJQODZICYOQHS-UHFFFAOYSA-N 309.325 1.970 0 40 DDAB CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1 4035492 LNQHVRCKKKMURC-UHFFFAOYSA-N 323.374 1.654 0 40 DDAB COc1ccc2nc(O)c(/C=C3\NC(=S)NC3=O)cc2c1 9348135 MXVURAINDIROSH-WDZFZDKYSA-N 301.327 1.294 0 40 DDAB NC(=O)c1ccccc1OCC(=O)NCCc1cccs1 20039660 LYABKBKDLLRQBW-UHFFFAOYSA-N 304.371 1.585 0 40 DDAB O=C(Cn1ccccc1=O)NCc1ccnc(N2CCCC2)c1 40490241 OWZVFWXQXSPOQH-UHFFFAOYSA-N 312.373 1.160 0 40 DDAB Cc1cc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)no1 31658451 ZEHQMQPONZGDLK-UHFFFAOYSA-N 308.359 1.659 0 40 DDAB C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)NC(N)=O 51164991 QLXINXUGFPKUFU-NSHDSACASA-N 318.377 1.194 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1 32267750 KCGVSDOJJZSJRK-CQSZACIVSA-N 320.389 1.502 0 40 DDAB O=C(NCc1nnc2ccccn12)c1ccc2c(c1)OCCCO2 32524248 GJSDUHAFEZBCQJ-UHFFFAOYSA-N 324.340 1.821 0 40 DDAB NC(=O)[C@@H]1CCN(c2ncnc3c(Br)cccc23)C1 52394061 FTWYAZBMQCDQJX-MRVPVSSYSA-N 321.178 1.704 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102700534 NOJKPKWUUMRHGO-SNPRPXQTSA-N 324.380 1.915 0 40 DDAB O=C(O)[C@@H](c1cc(Br)cs1)N1CCOCC1 41678537 WPGRXFUJUCBGSX-SECBINFHSA-N 306.181 1.969 0 40 DDAB biogenic,in-vitro COC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 309175 HPDRHQFENWNGQE-UHFFFAOYSA-N 309.343 1.644 0 40 DDAB CCn1c(CNc2ccc(F)cc2)nnc1SCC(N)=O 421574 XAQBKFHYCOPZBM-UHFFFAOYSA-N 309.370 1.627 0 40 DDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccnc1 814654 PAFZLKRPCVIIBQ-UHFFFAOYSA-N 322.342 1.267 0 40 DDAB CCc1nc(C)c2c(C)c(C(=O)NS(C)(=O)=O)sc2n1 42280069 WKNPJAVVIGUJEV-UHFFFAOYSA-N 313.404 1.560 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1nccn1C)C1CC1 54039179 FKCZZWZXVRNIPH-LLVKDONJSA-N 322.409 1.824 0 40 DDAB COc1ccc(NC(=O)NCC(C)(C)N2CCOCC2)cn1 54218743 COOFGCDUWAEBPN-UHFFFAOYSA-N 308.382 1.323 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1ccco1 4498070 WJKSEFUAMSQWSA-UHFFFAOYSA-N 322.748 1.858 0 40 DDAB COc1ccc(/C=C/C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F 42733618 PXVADPVEMLTWNZ-OBGXAZDVSA-N 320.364 1.960 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@H]2CCOCO2)c(Cl)cc1F 95435038 JSMYTCOPUOTOSI-SECBINFHSA-N 323.773 1.829 0 40 DDAB CN1CCN(C(=O)CCc2cnn(C)c2)[C@@H](c2ccccc2)C1 54830833 QRLHIXKXSGBVTH-QGZVFWFLSA-N 312.417 1.868 0 40 DDAB Cc1[nH]nc(C(F)(F)F)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014395 CZHIZGLGSAHFDL-XAMCCFCMSA-N 315.251 1.404 0 40 DDAB CN1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO 104837496 CZKBJSXLIMPTMH-MRXNPFEDSA-N 303.381 1.872 0 40 DDAB Fc1cnc(N2CCC[C@]3(CCN([C@H]4CCOC4)C3)C2)nc1 107192115 HPCIPRYVNUJZCO-GOEBONIOSA-N 306.385 1.697 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc21 25407209 QFVIPJHZZKQXAF-UKRRQHHQSA-N 315.417 1.552 0 40 DDAB COc1cccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 71829716 XQJGSIALSUTHQO-TZMCWYRMSA-N 304.390 1.740 0 40 DDAB C[C@H](C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O)n1cccn1 71841551 NBLZDWBVXGFFLH-DGCLKSJQSA-N 318.352 1.044 0 40 DDAB CCC(=O)NC1CCN(c2ccccc2S(=O)(=O)CC)CC1 58279738 KSHOHCCLQSBGAL-UHFFFAOYSA-N 324.446 1.975 0 40 DDAB COc1cccc(CCNC(=O)CCNc2ncccn2)c1 44978164 QLYFNFGIOMPDTJ-UHFFFAOYSA-N 300.362 1.646 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)nc2n1 44969913 LHZUHUGWXQOULC-STQMWFEESA-N 315.377 1.525 0 40 DDAB O=C1C[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)c2ccccc2N1 71839866 RLLXCHQODWFMDM-UKRRQHHQSA-N 313.401 1.809 0 40 DDAB COc1c(CNCCCNC(=O)c2ccccc2)c(C)nn1C 58300181 KRYXMRWVAQFXNG-UHFFFAOYSA-N 316.405 1.647 0 40 DDAB COc1ccc(C[C@@H](C(=O)O)N2CCN(C)CC2)cc1Cl 57657494 XBJZXYNKJLEDFI-ZDUSSCGKSA-N 312.797 1.592 0 40 DDAB CCN(C)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 71867851 HEPCCSLIXXRZMV-UHFFFAOYSA-N 320.414 1.987 0 40 DDAB COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](C)C2)cc1 27530299 OAZICWNFIBMFIC-UKRRQHHQSA-N 307.390 1.945 0 40 DDAB O=C(OCc1cc(=O)oc2cc(O)ccc12)C1=COCCO1 11444866 FEWVPPNKOFHGBO-UHFFFAOYSA-N 304.254 1.430 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)c1ccn(C)c(=O)c1 48304684 CYGIIGYVIISBGQ-UHFFFAOYSA-N 301.346 1.498 0 40 DDAB CCCc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)[nH]n1 48481759 ZOLZVVUSSJNUDZ-UHFFFAOYSA-N 320.437 1.547 0 40 DDAB C[C@H](OC(=O)c1ccc(Br)cc1)C(=O)NC(N)=O 3520704 SAVPQZADXOBHIJ-LURJTMIESA-N 315.123 1.189 0 40 DDAB Cc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1C 3664539 YNAUPRIISISMQW-UHFFFAOYSA-N 300.362 1.645 0 40 DDAB O=C(Nc1nc(-c2ccc[nH]2)cs1)[C@@H]1CCS(=O)(=O)C1 13006929 CYQCFOLOZMJWNG-MRVPVSSYSA-N 311.388 1.511 0 40 DDAB Cc1nnc(C(=O)NCCOc2ccc3c(c2)OCO3)s1 95467296 XQIZPQGASPIZMX-UHFFFAOYSA-N 307.331 1.384 0 40 DDAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)N1CCOCC1 13126427 KWHPKNKDJIYDIP-UHFFFAOYSA-N 321.358 1.393 0 40 DDAB CN(CC(=O)NC(N)=O)c1ccc(Br)cc1F 49333499 VOQSNJRVRMYEKV-UHFFFAOYSA-N 304.119 1.219 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C1CCN(c2ncccn2)CC1 8992050 RZVOVPZGFGPIRL-HNNXBMFYSA-N 317.437 1.294 0 40 DDAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)NC1CCCC1 5278584 JLTYNSPIXGZAPD-GFCCVEGCSA-N 320.389 1.695 0 40 DDAB CC(C)CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1 96402300 FLXYVJUVOPCDBC-UHFFFAOYSA-N 306.410 1.418 0 40 DDAB COc1ccc(CN2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5396086 GHPHXMRQGOXPQZ-RYUDHWBXSA-N 312.416 1.344 0 40 DDAB Cn1c(Sc2ncnc3c2cnn3C)nnc1-c1ccncc1 14282500 BHQQORWKHFRKTI-UHFFFAOYSA-N 324.373 1.705 0 40 DDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCCC2=O)c(C)c1 14246523 VXVNQMRPYYQXON-UHFFFAOYSA-N 317.389 1.289 0 40 DDAB Nc1nc(-c2ccccc2OCC(=O)N2CCOCC2)cs1 20331685 WXTHWIXOFUHYNP-UHFFFAOYSA-N 319.386 1.630 0 40 DDAB C[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(N)=O 6849584 ROVIEPLNMNEUJS-VIFPVBQESA-N 302.286 1.563 0 40 DDAB FC(F)CN1CCN(Cn2nccc2-c2ccncc2)CC1 67094750 HWVNHSFRRQJVBS-UHFFFAOYSA-N 307.348 1.785 0 40 DDAB Cc1cc2nc(SCC(N)=O)n(-c3ccccc3)c(=O)c2[nH]1 67239448 UOTOZXWMSWBBLQ-UHFFFAOYSA-N 314.370 1.600 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)NCc1ccc(Cl)cc1 15379309 IXSAXRCQWKYXSL-UHFFFAOYSA-N 320.732 1.502 0 40 DDAB Cc1nnsc1C(=O)N1CCN(c2ccccc2F)CC1 15669534 RPYVMYXVMSALEH-UHFFFAOYSA-N 306.366 1.948 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 7735301 FPHHNOOXUBQJGM-UHFFFAOYSA-N 322.361 1.915 0 40 DDAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)o1 16733070 BCGKBXUXFNJJMG-SNVBAGLBSA-N 308.359 1.726 0 40 DDAB COc1ccccc1CN1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 9485635 NGGAMGQHTFYBQD-JQWIXIFHSA-N 312.416 1.344 0 40 DDAB CCN(CC)C(=O)CNC(=O)CNC(=O)CC1CCCCC1 69349579 JQRKDSCWFHOSRO-UHFFFAOYSA-N 311.426 1.058 0 40 DDAB Cn1nccc1CNc1cc(N2CCC[C@@H](CO)C2)ncn1 91428340 HNCNSEXKWXEDCI-GFCCVEGCSA-N 302.382 1.031 0 40 DDAB O[C@@H](CN1CCN(c2ncnc3[nH]ccc23)CC1)c1ccccc1 69624529 RWIDTFPUJOATLM-INIZCTEOSA-N 323.400 1.814 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1cccs1 9690436 SDPYQDBQLRLIKA-UHFFFAOYSA-N 314.366 1.703 0 40 DDAB Cc1cc(C(=O)NCCCS(N)(=O)=O)c(Cl)cc1F 84077301 KEBOUKJAWYKLAM-UHFFFAOYSA-N 308.762 1.196 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)s1 72233937 ZYQIJGJNWZDEQN-JTQLQIEISA-N 304.375 1.348 0 40 DDAB COC(=O)c1sc(NS(=O)(=O)c2cccnc2)nc1C 72275908 BZUBSKJDXHULFF-UHFFFAOYSA-N 313.360 1.434 0 40 DDAB Cc1ccn2c(=O)c(C(=O)Nc3ccnc4ccnn34)cnc2c1 72287182 LNHMJJCWMBDVHL-UHFFFAOYSA-N 320.312 1.298 0 40 DDAB O=C(Cn1cnnn1)N[C@@H]1CCCOc2c1ccc1ccccc21 84229098 ZECCHVYTFXWAJO-OAHLLOKOSA-N 323.356 1.856 0 40 DDAB CCNS(=O)(=O)c1cc(Br)cc2c1OCC2 97114389 IJAKXBPESVMSBY-UHFFFAOYSA-N 306.181 1.682 0 40 DDAB Cn1nc2c(cc1=O)CN(c1ccnc(-c3ccccc3)n1)CC2 72302206 AFORVYBLUNIIJX-UHFFFAOYSA-N 319.368 1.800 0 40 DDAB CCOc1ncnc2c1CN(CC(=O)N(CC)C1CC1)CC2 97201948 ISXJNGYIBIVXMB-UHFFFAOYSA-N 304.394 1.244 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2ccc3nnnn3c2)C12CCCC2 95411780 UTZICJUKCLASDK-OLZOCXBDSA-N 315.377 1.592 0 40 DDAB COC(=O)/C(=C/c1c(C)cc(OC(C)=O)cc1C)NC(C)=O 95929125 PDNQTSIFHHZKQF-NVNXTCNLSA-N 305.330 1.879 0 40 DDAB in-vitro Cc1ccccc1C[C@@H](CNC(=O)[C@]1(C)CCCO1)C(=O)O 95970672 OWOQSXSNOMZUJR-YOEHRIQHSA-N 305.374 1.924 0 40 DDAB Cn1cc(CNC(=O)Nc2ccnn2Cc2ccccn2)cn1 95977142 NFIKOFGYPMYDOL-UHFFFAOYSA-N 311.349 1.382 0 40 DDAB CC(=O)N1CCCN(C(=O)NCc2nccn2CC(C)C)CC1 74534209 USJQJWFASLYEPR-UHFFFAOYSA-N 321.425 1.303 0 40 DDAB CS(=O)(=O)CC1(CNCc2cc3ccccc3nc2O)CC1 89484213 RBWJODCTJUOFBC-UHFFFAOYSA-N 320.414 1.855 0 40 DDAB COc1cc(F)c(S(=O)(=O)Nc2noc(C)n2)cc1OC 89718473 WBCBHCJTQCWFOR-UHFFFAOYSA-N 317.298 1.335 0 40 DDAB O=C1C=C(Nc2cccc(C(=O)Nc3nccs3)c2)CN1 524733056 PKSKWONHQQSVRL-UHFFFAOYSA-N 300.343 1.821 0 40 DDAB CCNC(=O)[C@@H](C)Sc1cc(C(N)=O)c2ccccc2n1 25913819 PVZRNTYCWATTNG-SECBINFHSA-N 303.387 1.950 0 40 DDAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)cc(-n2ccnc2)n1 72360665 ATZLCPLYKWTETB-LBPRGKRZSA-N 321.406 1.110 0 40 DDAB COc1ccc(Cc2noc([C@H]3CCCN(C(N)=O)C3)n2)cc1 78774463 CSLHPAZPUUDPML-LBPRGKRZSA-N 316.361 1.927 0 40 DDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1c[nH]c2ncccc12 79354734 PHYDFHYXILRSIH-NSHDSACASA-N 309.391 1.610 0 40 DDAB CCN(CC)CCOc1ccccc1NC(=O)Cn1cncn1 42700082 HKPIPVKYASDKAZ-UHFFFAOYSA-N 317.393 1.637 0 40 DDAB COC[C@](C)(O)CNC(=O)c1ccc(OC(F)(F)F)cc1 75170439 KKDMJFUDOJMMKY-GFCCVEGCSA-N 307.268 1.712 0 40 DDAB O=C(NCCCN1CCOCC1)c1ccc2nc(Cl)oc2c1 225975488 HEHPMZOJDFKKSN-UHFFFAOYSA-N 323.780 1.933 0 40 DDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccccc1)Cc1ccccc1 571018289 HOWSMJXEAVLAJF-CQSZACIVSA-N 319.382 1.908 0 40 DDAB CC(C)CNC(=O)Cn1cc(COc2cccc(F)c2)nn1 227169860 KYKNIQSYGHOLQX-UHFFFAOYSA-N 306.341 1.768 0 40 DDAB COCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44880564 DDGBTQCSYRLTQS-UHFFFAOYSA-N 306.771 1.088 0 40 DDAB CCOC(=O)CN(C(=O)c1ccnn1C)c1ccc(C)cc1 225600567 CHSAAMHRBOIHPD-UHFFFAOYSA-N 301.346 1.938 0 40 DDAB CN1CCN(C(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)CC1 41550142 LXEJIQWNOJWDNU-HNNXBMFYSA-N 323.780 1.204 0 40 DDAB COCCNS(=O)(=O)c1ccc(C)c(Br)c1 96427657 PUBHLXWIGPBOKO-UHFFFAOYSA-N 308.197 1.682 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 96217604 OLVAXPDVJVVLHZ-ZNMIVQPWSA-N 303.362 1.275 0 40 DDAB O=C1[C@H]2CN(Cc3cccs3)C[C@H]2CN1c1cncnc1 96245199 KJHLILYXGGMZPL-FZMZJTMJSA-N 300.387 1.633 0 40 DDAB Cc1cccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)n1 96053820 DXJNEAGZNDASLP-HZPDHXFCSA-N 322.412 1.989 0 40 DDAB CN(C)C(=O)[C@H]1CN(Cc2ccsc2)Cc2ccnn2C1 96188772 DYAWGKHKJGUVAN-ZDUSSCGKSA-N 304.419 1.665 0 40 DDAB COC(=O)/C=C1\SCC(=O)N1CCOc1ccccc1F 96133970 IZYYUQQJAQRDIU-JYRVWZFOSA-N 311.334 1.794 0 40 DDAB Cc1ccccc1C[C@H](CNC(=O)[C@@]1(C)CCCO1)C(=O)O 95970675 OWOQSXSNOMZUJR-RHSMWYFYSA-N 305.374 1.924 0 40 DDAB O=C(Cc1ccccn1)N1CC[C@]2(CCN2c2ncccn2)C1 96076123 GZVQHYCVZMGFMM-KRWDZBQOSA-N 309.373 1.296 0 40 DDAB OCCOCc1ncn2c1CN(Cc1nccs1)CCC2 96059006 BBDMHWZVIOVDAT-UHFFFAOYSA-N 308.407 1.254 0 40 DDAB c1cncc(CN2C[C@H]3CN(CC4CCOCC4)C[C@@H]3C2)c1 96053768 FLBDHEYDTAHNDA-QZTJIDSGSA-N 301.434 1.872 0 40 DDAB CN(C)Cc1nn(C)c2c1CCN(C(=O)c1ccsc1)C2 96084160 VNWKWOVCDCRSLC-UHFFFAOYSA-N 304.419 1.742 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CCC1CCCC1 257212453 CDLONVJLXQFJKJ-QGZVFWFLSA-N 316.405 1.750 0 40 DDAB Cn1cc(C(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)cn1 257246904 IWKKIGINGHQJNB-UHOFOFEASA-N 312.373 1.745 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)C1 252581683 LOSBKNPCLMGGIA-RKQHYHRCSA-N 300.424 1.072 0 40 DDAB COC(=O)C1=C[C@@H]2CN(Cc3ccccc3)CC[C@H]2NC1=O 253495331 TUJSMDKSPQSKRJ-UKRRQHHQSA-N 300.358 1.106 0 40 DDAB Cc1c(CCC(=O)N2CCC[C@@H](c3cnccn3)C2)cnn1C 257255902 KJJBIUVYQNEWFD-OAHLLOKOSA-N 313.405 1.857 0 40 DDAB O=C(c1cc[nH]n1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257263987 LSJIIIYIHIAWKE-LBPRGKRZSA-N 312.333 1.525 0 40 DDAB Cc1nnsc1C(=O)NCC1CCN(c2cnccn2)CC1 70930271 FCNRSQCPNUYKBK-UHFFFAOYSA-N 318.406 1.283 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)CCn3cccn3)C2)no1 71870538 KHCNNANNCVIVGK-CQSZACIVSA-N 304.398 1.171 0 40 DDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCCC(C)(C)C)[C@H]3CO[C@@H]2O3)n1 952844847 NICACJCICDZOAM-DGXTUMSLSA-N 323.437 1.551 0 40 DDAB biogenic,in-vitro CCn1cnnc1CNC(=O)c1cncc(Br)c1 47021146 MRRMRGIFTRESFN-UHFFFAOYSA-N 310.155 1.386 0 40 DDAB O=S(=O)(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccnc1 72728818 ZOEVLQTXUCBUAP-KGLIPLIRSA-N 306.391 1.740 0 40 DDAB O=C(Cn1nc(C(F)(F)F)ccc1=O)N1CCc2ccccc21 89861296 IGKNAPYPIBIRMZ-UHFFFAOYSA-N 323.274 1.851 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C3CC3)on1)CC2 89986422 WTZRJXPRNQYSPJ-CABCVRRESA-N 320.389 1.944 0 40 DDAB CN1CC[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1=O 78845119 WCGDRYHCWDVSRT-LLVKDONJSA-N 300.280 1.595 0 40 DDAB C[C@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1ccccc1F 80751767 UVGAHUDROIWDIQ-LLVKDONJSA-N 304.321 1.722 0 40 DDAB COc1nn(C)cc1C(=O)N(Cc1ccco1)C1CCOCC1 96097107 RNUDWJITGISISJ-UHFFFAOYSA-N 319.361 1.843 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CCO1 91292872 UIWSJLLYTDMWEU-SECBINFHSA-N 301.701 1.795 0 40 DDAB CN1CCC[C@H](NC(=O)COc2ncnc3ccccc23)C1 12195064 ALMZOOYBURVWCH-LBPRGKRZSA-N 300.362 1.219 0 40 DDAB CN1CCC[C@@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12195208 LVYSOSRQPZVRJQ-LLVKDONJSA-N 323.780 1.458 0 40 DDAB CCCNC(=O)[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19748108 KCMRMAAKDIYDHR-NSHDSACASA-N 318.402 1.680 0 40 DDAB Cc1cc(C)n([C@H](CNC(=O)[C@@H]2CCOC2)c2ccco2)n1 575605743 SBZDYOVEWOTROB-ZIAGYGMSSA-N 303.362 1.835 0 40 DDAB CCC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888844494 AEQBACOEZVCROL-BETUJISGSA-N 300.406 1.578 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 37974536 VXVQUKUBXWBSTM-UHFFFAOYSA-N 302.371 1.315 0 40 DDAB CC1CC(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)C1 1614940641 SPLNYOYOZFSZDR-ROKHWSDSSA-N 314.393 1.179 0 40 DDAB O=C(c1cc[nH]n1)N1CCc2c(COCC3CC3)cncc2C1 1565552484 WTLSXOSBBZZWLV-UHFFFAOYSA-N 312.373 1.930 0 40 DDAB COC1(CC(=O)N2C[C@H]3CN(CC(C)C)C(=O)[C@H]3C2)CCC1 1565554735 FBUKAIOZTJLZKQ-KBPBESRZSA-N 308.422 1.518 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccc(F)cc2)CC1 2086866044 LHFLHLOIFNFAKW-CQSZACIVSA-N 307.413 1.856 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O 8481433 MTODZIVDZDTPKB-IINYFYTJSA-N 317.345 1.012 0 40 DDAB biogenic Cc1cccc(C)c1OCCC(=O)N[C@@H]1CCS(=O)(=O)C1 40508593 RKRCUDCAUISTPN-CYBMUJFWSA-N 311.403 1.376 0 40 DDAB O=C(NCCn1cnc2cccnc2c1=O)c1ccc(F)cc1 32577783 LUBSZPIXQGABGB-UHFFFAOYSA-N 312.304 1.361 0 40 DDAB COc1ncccc1C(=O)Nc1ccccc1S(C)(=O)=O 32760658 FLOJSSWHBFXBEZ-UHFFFAOYSA-N 306.343 1.746 0 40 DDAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)O)ccc12 489081 MPRHVYQJIDBFNO-VIFPVBQESA-N 319.313 1.324 0 40 DDAB biogenic CCOC(=O)Nc1ccc(NC(=O)N2CCNC(=O)C2)cc1 78241725 SHVIPTZCKRRDEE-UHFFFAOYSA-N 306.322 1.219 0 40 DDAB C[C@H](CO)NC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983908 GBUZAKCOYYUDDT-DYTQJMLRSA-N 313.357 1.283 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cc12 42733706 UWLHEZHTKKTGLA-GXSJLCMTSA-N 315.377 1.003 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 6340450 CNSUKXHHHYVUBA-JKSUJKDBSA-N 308.385 1.929 0 40 DDAB C[C@@H]1CN([C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CCO1 24574467 ZTIDTDMMLDVVOH-BXUZGUMPSA-N 322.792 1.688 0 40 DDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 55421979 UTMQDGRVLPBENN-CQSZACIVSA-N 308.353 1.469 0 40 DDAB CNC(=O)[C@@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccccc1 55547274 AZPCHASDUDQPIB-HNNXBMFYSA-N 313.357 1.445 0 40 DDAB Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)on1 25290656 IEOSBGRENNMOIE-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(C)[C@@]1(C)Oc1ccccc12 1469172 RCNSZQWRVQZEKU-XUJVJEKNSA-N 306.387 1.836 0 40 DDAB CN1CCN(C(=O)/C(=C\c2ccccc2)n2ccccc2=O)CC1 57049694 BDILTLAYIKAUTI-BMRADRMJSA-N 323.396 1.620 0 40 DDAB O=C(CCNC(=S)NC1CC1)N1CCCc2ccccc21 44198870 RMAVZLMSHHIUND-UHFFFAOYSA-N 303.431 1.982 0 40 DDAB COC(=O)[C@H]1C2[C@H]3[C@@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C32CCCCC412 104281401 MZDFFTSHVCXPIB-BCCFETFSSA-N 302.370 1.877 0 40 DDAB COc1ccc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)cc1 3268570 FOOPCINPCWKWEO-ZDUSSCGKSA-N 314.432 1.559 0 40 DDAB C[C@H](OC(=O)c1ccccn1)C(=O)Nc1sccc1C(N)=O 10028186 QJUVNPPZAYFCTR-QMMMGPOBSA-N 319.342 1.426 0 40 DDAB COC(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1O 58196495 XLJUZYJHPSXYAR-ZDUSSCGKSA-N 308.378 1.822 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C(=O)N2CCCC2)c1C 58299451 YRBRNICZGVSMFV-NSHDSACASA-N 321.377 1.159 0 40 DDAB COCCn1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 48276154 WCSLGZRJIGAXGC-LSDHHAIUSA-N 316.361 1.309 0 40 DDAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 27794821 LEOWBNOZDFTSRB-AAEUAGOBSA-N 315.366 1.286 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CCS(=O)(=O)C1CCCC1 44949844 DHBBXVUNDFYWTQ-UHFFFAOYSA-N 313.423 1.126 0 40 DDAB O=C(NCc1cnn(Cc2ccccc2)c1)NC[C@@H]1CCCO1 44945776 WOICEOFLFIAXFB-INIZCTEOSA-N 314.389 1.910 0 40 DDAB O=C(CS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccco1 44948340 RXZVEVCVIMSCQD-UHFFFAOYSA-N 315.297 1.648 0 40 DDAB CCOc1ccc(C(C)=O)cc1CN1C(=O)C(=O)N(CC)C1=O 3399568 FVJXDSLPWBCORM-UHFFFAOYSA-N 318.329 1.599 0 40 DDAB CCN1C(=O)C(=O)N(Cc2nc3cc(Cl)ccc3n2C)C1=O 48341791 MLHJHJHASSHVMC-UHFFFAOYSA-N 320.736 1.537 0 40 DDAB COC(=O)N1[C@H]2C=CC=C[C@H]1[C@H]1C=CC=C[C@@H]2N1C(=O)OC 104277672 ULARLSZMOAWMDO-XDQVBPFNSA-N 302.330 1.863 0 40 DDAB CCNC(=S)NC[C@H](C)N1CCN(c2ccccc2)CC1 36847478 KYBNWEFFFNNJAK-AWEZNQCLSA-N 306.479 1.681 0 40 DDAB CCCCC[C@@H](C)NC(=O)CS(=O)(=O)Cc1nc(C)no1 46129985 MNKGYJLBITUMIR-SNVBAGLBSA-N 317.411 1.378 0 40 DDAB C[C@]1(C(=O)O)CCN(C(=O)c2ccc(Br)o2)C1 62912565 YCQFZOKJBWNPNL-NSHDSACASA-N 302.124 1.979 0 40 DDAB O=c1c2cnc(N3CCCCC3)nc2ccn1C[C@H]1CCCO1 39383845 LRUOXWYQYFDFKE-CYBMUJFWSA-N 314.389 1.961 0 40 DDAB CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6015915 VTPLNQKRFASMKX-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB Cn1nc2c(cc1=O)CN(C(=O)Nc1ccc(F)cc1)CC2 72928965 INXWHCYKUXUQHS-UHFFFAOYSA-N 302.309 1.510 0 40 DDAB COC(=O)c1cccc(CN2C(=O)NC3(CCCC3)C2=O)c1 5293332 FVPLGXSQVFFIKK-UHFFFAOYSA-N 302.330 1.838 0 40 DDAB CCOc1ncnc2c1CN([C@H](C(N)=O)c1ccccc1)CC2 65463575 SEVPOIDMXAFMHV-HNNXBMFYSA-N 312.373 1.460 0 40 DDAB Cc1noc(C)c1CCN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O 95454029 YMEYKQUIFJWEHD-HNNXBMFYSA-N 317.349 1.035 0 40 DDAB C[C@@H](C(=O)NCc1ccc(F)c(CO)c1)N1CCSCC1 95434766 XMTXMOWBRBRBCY-NSHDSACASA-N 312.410 1.372 0 40 DDAB CN1CCC[C@@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 65549009 WUGFSUHKNXQHRX-MRVPVSSYSA-N 300.288 1.649 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)NC(=O)NCc2ccccc2)C[C@@H](C)O1 14160717 XVPOLABAXGWXDG-HZSPNIEDSA-N 319.405 1.510 0 40 DDAB Cc1nc(/C=C\C(=O)N2c3ccccc3C[C@H]2C(N)=O)cs1 96188019 ZPJRIFXFIHGMPJ-AFNCTOJWSA-N 313.382 1.908 0 40 DDAB CCN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 95410893 ONWSJLPQXFJENE-CYBMUJFWSA-N 323.441 1.191 0 40 DDAB C[C@H]1CCc2nc(NS(=O)(=O)c3cnn(C)c3)sc2C1 66249664 FEWJKWCACJMSLJ-QMMMGPOBSA-N 312.420 1.802 0 40 DDAB CCC[C@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1nnn[nH]1 95411831 WGMSPYIPMZIYFX-NSHDSACASA-N 318.337 1.942 0 40 DDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 7054406 MJBIRBWJHHFZOX-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB CN(CCC(N)=O)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67674823 SFLNCIUUQYOIJU-UHFFFAOYSA-N 320.324 1.075 0 40 DDAB C[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccco1 7333831 ZSEFGRJNZMNVPM-SECBINFHSA-N 303.347 1.872 0 40 DDAB O=C(O)CCN1CCCN(C(=O)CCc2ccccc2)CC1 71727416 INKIPGZBLPASRD-UHFFFAOYSA-N 304.390 1.628 0 40 DDAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1COCCO1 96407376 QLHBYOPWRISFKE-ZFWWWQNUSA-N 308.353 1.326 0 40 DDAB Cc1cccc(OCCNC(=O)c2ccccc2-n2cnnn2)c1 9595393 QHTPUQBYTOZSAL-UHFFFAOYSA-N 323.356 1.780 0 40 DDAB Cc1ccccc1[C@H](CC(=O)Nc1ncccc1O)NC(N)=O 69327595 KLBOJDKHXXAKAU-LBPRGKRZSA-N 314.345 1.834 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)NCC[C@H]1CCCO1)C2 69322356 LRKUCNKDMOIDRL-ZIAGYGMSSA-N 305.374 1.932 0 40 DDAB CCO[C@@H](C(=O)N1CCn2c(CC)nnc2C1)c1ccccc1 69484747 CGQXENRDWBKISJ-MRXNPFEDSA-N 314.389 1.961 0 40 DDAB COc1cc2c(cc1CN[C@@H]1CCc3ncnn3C1)O[C@@H](C)C2 69488867 VCGCNMHYKBRWPC-SMDDNHRTSA-N 314.389 1.715 0 40 DDAB CC(C)CN1[C@H]2CCNCC[C@@H]2Oc2ccccc2S1(=O)=O 306136745 QBUYUHUWHSBQEV-KBPBESRZSA-N 324.446 1.846 0 40 DDAB C[C@H](O)CN1CCN(C(=O)Cc2cccc3ccccc23)CC1 71870966 DPZDEYBHGAVTTI-HNNXBMFYSA-N 312.413 1.907 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)c1 71869891 VFDCRNXOEOJIAY-GFCCVEGCSA-N 318.402 1.657 0 40 DDAB O=C1NC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 91865375 AKIAXDFVJPSUAE-LLVKDONJSA-N 315.295 1.795 0 40 DDAB CC1CCN(CCCNC(=O)N[C@@H](C)c2nncn2C)CC1 89929967 BZPDMNZMHHMIHW-ZDUSSCGKSA-N 308.430 1.297 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1nnc(-c3ccco3)o1)CC2 69808262 HGYGMQDSFOOAOS-JTQLQIEISA-N 314.349 1.588 0 40 DDAB O=c1[nH]c2ccccc2c(=O)n1CCSC1=NCCS1 8716997 WHMJITINFCAYFI-UHFFFAOYSA-N 307.400 1.526 0 40 DDAB COCCNC(=O)COCC(=O)Nc1ccc(C(C)C)cc1 9851012 FDPPFLNBISJTRI-UHFFFAOYSA-N 308.378 1.528 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 75606111 QTMVHWMNNYTQPI-HZPDHXFCSA-N 306.381 1.426 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)nn1 76018416 JVEFPPUYNFLYJQ-GFCCVEGCSA-N 316.365 1.171 0 40 DDAB CCCc1n[nH]c([C@H]2CN(CCOC[C@@H]3CCCO3)CCO2)n1 76049352 LPEWDOPUWKGCLO-UONOGXRCSA-N 324.425 1.326 0 40 DDAB CS(=O)(=O)CCNC(=O)N1CC[C@H](Cc2ccccc2)C1 76069881 PIAOGPAPCMMHMG-CQSZACIVSA-N 310.419 1.305 0 40 DDAB NS(=O)(=O)NCc1ccc(CN2CCc3ccccc32)cc1 72280290 MIBZAWYGLSPLSF-UHFFFAOYSA-N 317.414 1.542 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 73923473 VHRMBYRBBUPXSS-OAHLLOKOSA-N 322.386 1.181 0 40 DDAB CCOc1cc(N2CCO[C@](C)(c3cnn(C)c3)C2)ncn1 97162113 BWWCQQXAQJUADA-HNNXBMFYSA-N 303.366 1.361 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@@H]2CN(C)CCO2)C1 72307105 NDNSQNFBZZBHCM-KFWWJZLASA-N 311.470 1.190 0 40 DDAB C[C@H](N1CCN(c2nc(N)nc3[nH]cnc23)CC1)C(F)(F)F 95939882 ILZYBISQIACFKP-ZETCQYMHSA-N 315.303 1.008 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)c2ccc(O)cc2F)CC1 95993674 TUVYNIVODDAJDF-GFCCVEGCSA-N 309.385 1.287 0 40 DDAB N[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1 95972613 JDTDBEFMSYSAQL-GFCCVEGCSA-N 311.794 1.713 0 40 DDAB COC(=O)c1ncn(Cc2cn(-c3ccc(Cl)cc3)nn2)n1 89407031 ZHMYNGSTQWTJTM-UHFFFAOYSA-N 318.724 1.347 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)c2[nH]c(C)cc2C)cc1 89568602 IGGYPXQCZKPYOB-UHFFFAOYSA-N 315.373 1.800 0 40 DDAB Cc1nccc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)n1 545404071 UENPGMWYWQOCCJ-CQSZACIVSA-N 313.405 1.886 0 40 DDAB Cc1ccccc1CN1C[C@@H]2OCC(=O)N(CC3CC3)[C@@H]2C1 67897119 MIQFNDHXRIOCPC-SJORKVTESA-N 300.402 1.817 0 40 DDAB biogenic,in-vitro CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2c[nH]nc2C)C1 548346464 VSAWHLZSMPWKEU-OAHLLOKOSA-N 319.434 1.720 0 40 DDAB COc1cccc2c(N3CCO[C@H](CC(=O)O)C3)ccnc12 514938014 ADZSWJVPTIFYNB-LLVKDONJSA-N 302.330 1.923 0 40 DDAB Cc1cc(C(=O)NCCCn2ncc3c2c(C)nn3C)on1 72240924 JSCMENGTYYLKHB-UHFFFAOYSA-N 302.338 1.195 0 40 DDAB Cc1cc(N2CCCC2)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72364664 PPPPIRPGLIBFTD-ZDUSSCGKSA-N 324.450 1.524 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 77844653 CYHNGJCPQNXELY-PSLIRLAXSA-N 314.332 1.817 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1CCc1cc(-n2ccnc2)ncn1 72364827 SDMMKDDXGJZLGN-CYBMUJFWSA-N 321.406 1.019 0 40 DDAB COCCNC(=O)[C@@H](OC(=O)c1cccs1)c1ccccn1 35315900 YSYNBKAWBGBQDK-ZDUSSCGKSA-N 320.370 1.804 0 40 DDAB CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C(=O)O)C1 32198783 WWYRKJITMDRSEN-OAHLLOKOSA-N 304.390 1.832 0 40 DDAB C[C@]1(C(=O)O)CCCN(c2ccc3nnc(C(F)F)n3n2)C1 566297027 CEYQSCIEMIOLLI-ZDUSSCGKSA-N 311.292 1.753 0 40 DDAB NC(=O)c1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 73642788 NKHKTJFQAVHSRY-UHFFFAOYSA-N 313.264 1.971 0 40 DDAB C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 41382627 RSWAXEAUECWLGS-QMMMGPOBSA-N 303.318 1.141 0 40 DDAB Cc1cc(C(=O)OCCCC(N)=O)c(C)n1-c1nccs1 83772672 ABFJPJVGJXIGEN-UHFFFAOYSA-N 307.375 1.973 0 40 DDAB COc1ccc(Cl)cc1C[C@@H](C(=O)O)N1CCN(C)CC1 225149390 QWJXOYIZAXFRMS-ZDUSSCGKSA-N 312.797 1.592 0 40 DDAB Cc1cc(C(=O)NC[C@H]2CN(C)C[C@@H]2c2cccs2)nn1C 227150548 FLZMKLBYTGRUQT-STQMWFEESA-N 318.446 1.865 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)c3nnc4ccccc4n3)C2)n1 40714739 BBUPAIBBJFHGQX-NSHDSACASA-N 324.344 1.736 0 40 DDAB CN(C)c1ccnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1 195575205 HYFQRBINFBQHGL-UHFFFAOYSA-N 321.331 1.896 0 40 DDAB Cc1cccnc1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 193303079 KAEVUZOJMDQNIU-UHFFFAOYSA-N 309.325 1.881 0 40 DDAB O=C(NC[C@H](CO)Cc1ccccn1)[C@@H]1COc2ccccc21 96454741 PBTPHKWUOKONNL-CZUORRHYSA-N 312.369 1.525 0 40 DDAB COCCO[C@H]1CCN(c2ccccn2)[C@H]1Cc1cnn(C)c1 96200646 WTOYDIFCQXQZFY-HOTGVXAUSA-N 316.405 1.668 0 40 DDAB C[C@@]1(NC(=O)Cn2c(=O)cnc3ccccc32)CCCOC1 332154241 ORYYYUCYIGLXRT-MRXNPFEDSA-N 301.346 1.082 0 40 DDAB CCN1CC[C@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96100228 CQWZFLOGTWPQDX-QGZVFWFLSA-N 318.421 1.115 0 40 DDAB CO[C@@H]1CCN(C(=O)NC2CCCC2)[C@@H]1Cc1cnn(C)c1 96200620 OQWGIQGHLYXQHZ-HUUCEWRRSA-N 306.410 1.704 0 40 DDAB O=C(NCc1nnc2ccccn12)c1csc(NC2CC2)n1 95473479 OOIZSRHVMKMCDG-UHFFFAOYSA-N 314.374 1.690 0 40 DDAB CS(=O)(=O)N1CCCC12CCN(Cc1ccncc1)CC2 96049352 OSSRYWKJMTUWBC-UHFFFAOYSA-N 309.435 1.472 0 40 DDAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 96158650 CXBQNERETAOJGO-OAHLLOKOSA-N 317.433 1.885 0 40 DDAB CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1cnn(C)c1 96428273 TXGLEANQYNAXQA-UHFFFAOYSA-N 319.390 1.128 0 40 DDAB Cc1cc(NC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)nn1C 96485983 VERKIYXQLDDPGY-JTQLQIEISA-N 319.331 1.829 0 40 DDAB C[C@@H](Cc1ccsc1)N(C)c1ncc(S(N)(=O)=O)s1 96483062 SWBUBACEDUJPBM-QMMMGPOBSA-N 317.461 1.919 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C(=O)O)C(C)C 95399191 KBZBHWMYTDVFIN-LLVKDONJSA-N 303.309 1.663 0 40 DDAB COc1cc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)ccn1 96418210 OJDKRLVJTPVDSQ-CQSZACIVSA-N 302.305 1.849 0 40 DDAB O=C(c1ccco1)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 96159518 WDWMTCYEULEFID-KRWDZBQOSA-N 311.341 1.944 0 40 DDAB O=C(N1CCN(c2ccncc2Cl)CC1)C1(O)CCCC1 95438387 XDGKTQWDFBQQQH-UHFFFAOYSA-N 309.797 1.689 0 40 DDAB CN(C)Cc1cn2c(n1)CN(C(=O)CCc1ccccc1)CC2 96197169 KBMFHPROCCVITG-UHFFFAOYSA-N 312.417 1.920 0 40 DDAB c1cc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)ccn1 96185808 QTVSIWNAXMGJJT-YESZJQIVSA-N 303.406 1.146 0 40 DDAB O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)[C@@H]1CCOC1 95445537 HEPMQYJUWFPBEX-PWSUYJOCSA-N 307.737 1.965 0 40 DDAB O=C1[C@@H]2CCN(C3CCC3)C[C@@H]2OCCN1Cc1ccncc1 96107111 OAILBPQQIDNIGF-SJORKVTESA-N 315.417 1.683 0 40 DDAB O=C(c1ccnnc1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247840279 FDYJFGZWYKAEEE-CYBMUJFWSA-N 305.403 1.603 0 40 DDAB O=C(CC1CC1)NC[C@@H]1CCC2(CN(c3ncccn3)C2)OC1 247875209 SPZYVBKLWGUOFP-AWEZNQCLSA-N 316.405 1.378 0 40 DDAB Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)on1 257200955 AFMUTIGQYJXHGK-INIZCTEOSA-N 316.361 1.091 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2cnccn2)C1 257320471 VWYVDJPECRJAJT-HNNXBMFYSA-N 313.313 1.419 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(Cc2cccc(F)c2F)C1 52670561 IRIUDODZJNCCTA-NSHDSACASA-N 304.362 1.478 0 40 DDAB COc1ccc(C[C@@H]2COCCN(CC(=O)N(C)C)C2)cc1 257298406 RLMFNAGYXIUXCC-HNNXBMFYSA-N 306.406 1.274 0 40 DDAB Cn1cnc(C(=O)N2CCCC[C@H]2c2ccn3ccnc3n2)c1 257309785 UCJNTSUCCBHSTJ-AWEZNQCLSA-N 310.361 1.830 0 40 DDAB Cc1cc(N)cc([C@@H]2CN(C(=O)C3CCOCC3)CCO2)n1 257310418 UEZVKOYIJZDFGM-HNNXBMFYSA-N 305.378 1.299 0 40 DDAB O=C(Cn1cc(Cl)cn1)N1CCO[C@@H](c2ccncc2)C1 257318028 VMFDUZAMAAXYBN-CYBMUJFWSA-N 306.753 1.532 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3coc(C)n3)CCO2)nc(C)n1 257260348 LCMLIXKVWATADQ-CQSZACIVSA-N 302.334 1.604 0 40 DDAB Cc1ccc(Nc2nccc([C@@H]3CCN(C(=O)CN)C3)n2)nc1 257293828 QRILKDWXMFYMHX-GFCCVEGCSA-N 312.377 1.198 0 40 DDAB O=C(N[C@H](c1ccccc1)c1nc[nH]n1)c1ncc(F)cc1F 390835512 OZQGVWTVHVZUAU-GFCCVEGCSA-N 315.283 1.997 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)C2CCC2)C3)n1 575405119 SDNIHNBUZJGPOY-CQSZACIVSA-N 317.389 1.724 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2occc2C)Cc2cccn2C1 585099028 CZTLHTDBMCEGJF-ZDUSSCGKSA-N 315.373 1.798 0 40 DDAB CCn1nncc1CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 585089110 VOISIQJYUQKMQF-LBPRGKRZSA-N 314.393 1.678 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cc[nH]n2)CCO1 585277396 VWVVUMAXPVXBLV-KRWDZBQOSA-N 301.390 1.524 0 40 DDAB O=C(NC[C@@H]1OC[C@H]2CN(C(=O)C3CC(F)C3)CC[C@H]21)C1CC1 585108085 SWPHJCNKNPKCCA-MLPRRRGUSA-N 324.396 1.124 0 40 DDAB CN(C)[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1O 585182247 KCQOTOQKNVOYAJ-VXGBXAGGSA-N 302.296 1.452 0 40 DDAB Cc1[nH]c2c(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cccc2c1C 45348119 UGKSGQMQRAFZOA-LBPRGKRZSA-N 320.414 1.949 0 40 DDAB C[C@H]1C[C@@H](Sc2nnc(N3CCOCC3)s2)C(=O)O1 49048923 UZQMRWWQCYXCBZ-JGVFFNPUSA-N 301.393 1.171 0 40 DDAB CN1C[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1=O 89374893 KJQOICARFJMZDI-SECBINFHSA-N 320.773 1.129 0 40 DDAB CN1CCO[C@H](C(=O)NCC2(Cc3ccccc3)CCC2)C1 89385619 WGOIOXXWXWIWBH-INIZCTEOSA-N 302.418 1.846 0 40 DDAB Cc1cccc(N(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100723888 MSQRZJVZFINKLQ-PYTWLRIVSA-N 324.380 1.765 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)C[S@@](=O)c2n[nH]c(C3CC3)n2)[C@@H]1C 108054092 DHMGUNXWLDBBKA-BJVBHUMQSA-N 324.450 1.731 0 40 DDAB Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)no1 38630208 IFXRRPNELCXAQA-CYBMUJFWSA-N 305.334 1.379 0 40 DDAB CC(C)C[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O 1865986 WTQCXCDGRZQXGS-HIFRSBDPSA-N 316.405 1.054 0 40 DDAB COc1ccc(NC(=O)CCN2C(=O)CCC2=O)c(OC)c1 11637736 FHMWTFGLYGZURC-UHFFFAOYSA-N 306.318 1.181 0 40 DDAB C1=C[C@H]2NN=C(C3CCN(c4ncnc5[nH]ncc45)CC3)N2C=C1 11856484 CHXBOSWCRFOHLU-ZDUSSCGKSA-N 322.376 1.198 0 40 DDAB COC(=O)C1(N)CCC(NC(=O)OCc2ccccc2)CC1 12506095 JNHYRXBFZFGOGG-UHFFFAOYSA-N 306.362 1.726 0 40 DDAB CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)no1 563660641 JZQFCCVKDIBYTR-LLVKDONJSA-N 305.338 1.818 0 40 DDAB COC(=O)CCNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 1657627 HQLLJHQBRRHWLM-LLVKDONJSA-N 314.382 1.455 0 40 DDAB O=C(COc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 6993043 AKLTUTHUJWPFST-UHFFFAOYSA-N 317.345 1.351 0 40 DDAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1C[C@H](O)CN1 37031603 SGMWQZDJGKEECU-WCQGTBRESA-N 312.822 1.716 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 50246623 WTKGRVNKRIZNOZ-VIFPVBQESA-N 308.325 1.675 0 40 DDAB Cn1cncc1CN1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224351 HCKNHAPXPXOJPY-GASCZTMLSA-N 312.421 1.559 0 40 DDAB COCCOc1cc(C(=O)N2CCCC[C@@H]2C(=O)OC)ccn1 253470944 AGNHNYBYKYZBPO-CYBMUJFWSA-N 322.361 1.275 0 40 DDAB CCc1nnc(NC(=O)CSc2nnc(C)c(O)n2)s1 3664728 CAXIURGGPYSAMY-UHFFFAOYSA-N 312.380 1.030 0 40 DDAB COC(=O)c1ccc([C@H]2SC[C@H]3C(=O)N(C)C(=S)N32)cc1 4594067 DWQSVDZHOKPUDA-CMPLNLGQSA-N 322.411 1.646 0 40 DDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CCCCO1 21735891 KCSPXVASYLFDBR-YVEFUNNKSA-N 316.357 1.785 0 40 DDAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 100186118 GZMDFKKLXHSWDH-YLGOIMDESA-N 313.309 1.608 0 40 DDAB CSc1nnc(NC(=O)CSc2nnc(N)s2)s1 20103627 XWXNNTBQACJUNA-UHFFFAOYSA-N 320.450 1.425 0 40 DDAB O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[C@H](O)CN1 20434501 AGHHTEDMEYRPGQ-CMPLNLGQSA-N 303.189 1.375 0 40 DDAB COc1ccc(NC(=O)c2nccnc2C(=O)O)c(OC)c1 32093973 LKPXYSQIOVHRFG-UHFFFAOYSA-N 303.274 1.444 0 40 DDAB CC(=O)Nc1ccc(NC(=O)c2c(C(=O)O)cnn2C)cc1 20616523 OZLAXUQEIUWECP-UHFFFAOYSA-N 302.290 1.329 0 40 DDAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(=O)[nH]c1 32754005 MFWQLLFLZUVZCD-UHFFFAOYSA-N 315.329 1.060 0 40 DDAB Cc1nc2ccccc2nc1N1CCC(N2CCNC2=O)CC1 52486946 UHPNRDFDUMDSTM-UHFFFAOYSA-N 311.389 1.932 0 40 DDAB C[C@]1(c2ccc(NC(=O)C3CCCC3)cc2)NC(=O)NC1=O 32914521 FVLACTXKYKASHN-MRXNPFEDSA-N 301.346 1.870 0 40 DDAB COCC[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)O 52784893 GNZDETSNUWUXAM-ZYHUDNBSSA-N 313.737 1.249 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)c1cnccn1)c1ccccc1F 41565906 ATPGKTAFTRFXLC-AWEZNQCLSA-N 311.320 1.869 0 40 DDAB CCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3)ccc2c1=O 538284 TZKAOBQCNPVHIQ-UHFFFAOYSA-N 323.352 1.640 0 40 DDAB C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)c1ccsc1 97032207 WBMFBOGGEBKPJZ-JTQLQIEISA-N 304.437 1.249 0 40 DDAB Nc1nccc(NCCCCCCNc2ccnc(N)n2)n1 1561250 BBKMMLSLEFWHAE-UHFFFAOYSA-N 302.386 1.515 0 40 DDAB COCCNC(=O)CN(C)C(=O)c1cc(C)c(C)cc1Cl 97080270 PBFYDPMBFCQWQN-UHFFFAOYSA-N 312.797 1.791 0 40 DDAB CCN(CC)CCOC(=O)c1ccc(S(=O)(=O)CC)cc1 1718401 OBRZSSANDOBWOC-UHFFFAOYSA-N 313.419 1.979 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cnn3c(C)cc(C)nc23)CC1 23179314 NJYLAOAEZAYATC-UHFFFAOYSA-N 315.377 1.087 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccn2)c1C 12599819 AYTALFSYXSQLEW-UHFFFAOYSA-N 316.313 1.853 0 40 DDAB c1coc(-c2nnc(CN3CCCC[C@@H]3Cn3cncn3)o2)c1 72253338 QUMYHHPVWGMYNN-GFCCVEGCSA-N 314.349 1.976 0 40 DDAB Cc1ccc(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 43506714 GZZRSHAJEOGWMI-UHFFFAOYSA-N 314.385 1.695 0 40 DDAB CN1C(=O)C(=O)N(CN(C2CC2)[C@H]2CCc3ccccc32)C1=O 57089940 BVUMOWUFEWWUMA-AWEZNQCLSA-N 313.357 1.516 0 40 DDAB C[C@H](NC(=O)NC[C@H](C)[S@](C)=O)[C@H]1COc2ccccc21 108132380 PFCDMGFDLKBOAJ-RXRGJXTISA-N 310.419 1.617 0 40 DDAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cn1ccnc1)c1cccs1 42533392 ATAVXJHXFRQUJY-AAEUAGOBSA-N 320.418 1.717 0 40 DDAB COCCn1cc(NC(=O)NCc2ccccc2CO)cn1 58017452 SALVVUZSXUJSQD-UHFFFAOYSA-N 304.350 1.344 0 40 DDAB O=S(=O)(Nc1cnn(CCO)c1)c1ccc2c(c1)CCCC2 58061748 YNMBCEFXRUYSBR-UHFFFAOYSA-N 321.402 1.555 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(OC(F)(F)F)cc1 58190712 ZOMBDSUEPFCCDO-JTQLQIEISA-N 302.252 1.594 0 40 DDAB CN(C)C(=O)CCNC(=O)c1ccn(-c2cccc(F)c2)n1 58217829 UKMSIWRMXMTZBZ-UHFFFAOYSA-N 304.325 1.220 0 40 DDAB CCCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 2179247 JXCCMJDGXWUWBK-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB Cc1nccn1-c1cc(CNC[C@@H]2CNc3ccnn3C2)ccn1 58328923 ZJIYKDWKLOHUFX-OAHLLOKOSA-N 323.404 1.604 0 40 DDAB CCO[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 58394045 YNCQXLFIVXVUOR-HUUCEWRRSA-N 310.438 1.909 0 40 DDAB COc1c(CN[C@@H](C)c2nnc3n2CCCCC3)c(C)nn1C 58391814 RWGUSUCGKKZECQ-LBPRGKRZSA-N 318.425 1.906 0 40 DDAB Cc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)nn1C(C)(C)C 45036567 ZTLCSTKTYPWFMR-CQSZACIVSA-N 314.389 1.903 0 40 DDAB COCCOn1c(SCCOC)nc2ccccc2c1=O 2264409 BROKYEMEOFLBBA-UHFFFAOYSA-N 310.375 1.210 0 40 DDAB CCCC(=O)Nc1ccc2c(c1)nc(CCNC(C)=O)n2C 2365714 DEYUUAFGNXVKLE-UHFFFAOYSA-N 302.378 1.991 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCc2ccccc21 45654773 AKFWYOVDSKCGQF-RISCZKNCSA-N 308.403 1.408 0 40 DDAB COc1ccc([C@@H]2CCCN2CCC(=O)NC(N)=O)c(OC)c1 11455134 BCAICKYMQLPVFJ-ZDUSSCGKSA-N 321.377 1.426 0 40 DDAB CC(C)NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2 100162150 JQKBSKDFIBGUFR-KBPBESRZSA-N 303.406 1.421 0 40 DDAB CC(C)c1nc(CN2CCN(CC(=O)NC3CC3)CC2)cs1 46037690 QGEOKUXYHJZICI-UHFFFAOYSA-N 322.478 1.663 0 40 DDAB O=C(NC1CCCC1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060308 QNAFGZALMWBOSW-LLVKDONJSA-N 314.393 1.628 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)on1 12990520 ZHJNWXKCYSAOSK-UHFFFAOYSA-N 316.361 1.449 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2ncncc2Cl)CC1 72314250 MPTLFSOFAYEDRP-UHFFFAOYSA-N 312.757 1.481 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306132700 LPNLCZOXYUTHIS-ZDUSSCGKSA-N 322.430 1.831 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccoc1 14230008 HCTHGBORNIITJM-UHFFFAOYSA-N 324.358 1.791 0 40 DDAB CN1[C@H](Cc2cccn2C)[C@H](O)c2ccccc2S1(=O)=O 9481224 CCPQDKVWIVLSQJ-UKRRQHHQSA-N 306.387 1.304 0 40 DDAB O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCC(O)CC1 96483435 JXQRWKMVDYMFNJ-UHFFFAOYSA-N 321.402 1.077 0 40 DDAB Brc1nc(Br)n(Cc2ccno2)n1 96450972 AOMMQMNIFLLYCE-UHFFFAOYSA-N 307.933 1.839 0 40 DDAB C[C@@H](OC(=O)C1CCC1)C(=O)N1CC(=O)Nc2ccccc21 15706810 GZGOYAVBEOBXFC-SNVBAGLBSA-N 302.330 1.704 0 40 DDAB O=C(NC1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858480 NAZSWBKGBUXICU-UHFFFAOYSA-N 322.386 1.426 0 40 DDAB CCCN1C(=O)C(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O 7528044 BHEBUTCGTQQESZ-UHFFFAOYSA-N 310.256 1.348 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)O)C2)c(F)c1 16158935 LQDSRWORXHXPED-VIFPVBQESA-N 301.339 1.530 0 40 DDAB COC1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 71881414 ANLOKXNSSDWLFP-UHFFFAOYSA-N 315.373 1.807 0 40 DDAB Cc1cccn2c(=O)cc(CN[C@H](C)[C@@H](C)n3cccn3)nc12 71882079 PKVNTACNHIWNBP-ZIAGYGMSSA-N 311.389 1.939 0 40 DDAB Cc1cnn(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 71833012 YLZIUGDHMJNCBI-UHFFFAOYSA-N 319.796 1.589 0 40 DDAB CCS[C@H]1CCCCN(Cc2nc(N)nc(N(C)C)n2)C1 71899657 AZBHJLDOBAOXLE-NSHDSACASA-N 310.471 1.627 0 40 DDAB CCN(C(=O)c1cc(C)nc2ccccc12)[C@H]1CC(=O)NC1=O 69462141 CEPHNIAEVLVBRA-AWEZNQCLSA-N 311.341 1.420 0 40 DDAB Cc1noc(CCNC(=O)[C@@H](C)N2CCc3ccccc3C2)n1 71893310 JPMJRYFRTVLRKM-GFCCVEGCSA-N 314.389 1.484 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 69875888 UDLQGGXVZRCCHR-HNNXBMFYSA-N 311.389 1.332 0 40 DDAB C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1 69842336 KJKZFHYQEISTRK-MWLCHTKSSA-N 320.784 1.258 0 40 DDAB Cc1cccc2nc(CN3CCO[C@@H](Cn4cncn4)C3)cn12 69815221 KXPYPZNACFFIEL-OAHLLOKOSA-N 312.377 1.135 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Cc2c(C)noc2Cl)CC1 69952246 JIVKYWUXBXGFHU-LLVKDONJSA-N 315.801 1.094 0 40 DDAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(C)o1 408564534 ZENADVXRYSYMOE-UHFFFAOYSA-N 316.313 1.743 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)c(F)c(F)c1 97079982 VSMXULJIJYYHBV-QMMMGPOBSA-N 312.291 1.845 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(C)n1)CC2 95400664 SJTJXEZHNZWJAJ-HUUCEWRRSA-N 304.390 1.782 0 40 DDAB Cc1cnccc1CCNC(=O)Nc1c(C)ccn(C)c1=O 95437945 SXWZIQWYOWBHJT-UHFFFAOYSA-N 300.362 1.761 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCOC2CCCC2)c(=O)[nH]1 75121081 KYWQXWXUPFTSKH-UHFFFAOYSA-N 307.394 1.750 0 40 DDAB O=C1CNC(=O)N1CCN1C[C@H]2CCCC[C@@]21c1ccccc1 89827784 QZKJDCFNRIBIOR-CRAIPNDOSA-N 313.401 1.940 0 40 DDAB O=C(Nc1nncs1)C1CCN(C(=O)c2ccncc2)CC1 23098661 AEYYLNLYMQCOGV-UHFFFAOYSA-N 317.374 1.424 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 32900376 PSKNYEAWGSCYHL-OAHLLOKOSA-N 317.433 1.493 0 40 DDAB O=C(O)[C@H](CNS(=O)(=O)c1ccccc1)C1CCOCC1 515348262 XZMRTEWTINCYKI-CYBMUJFWSA-N 313.375 1.092 0 40 DDAB Cc1cccc(N2C(=O)[C@H]3C(C(=O)c4ccco4)=NO[C@H]3C2=O)c1 3848983 VCTMREXQUFBLPG-SWLSCSKDSA-N 324.292 1.715 0 40 DDAB biogenic CC(=O)N1CC[C@H]1c1cc(NCCn2nccc2C)nc(C)n1 72387643 VPCKYIUKQNUIMB-HNNXBMFYSA-N 314.393 1.695 0 40 DDAB CCOc1cc(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)ccn1 76045670 QBGIRQSNJZARMC-GFCCVEGCSA-N 317.349 1.121 0 40 DDAB Cc1ccc(F)c(OC(=O)CCn2nc3ccccn3c2=O)c1 78125693 RHGJOXJCHKPTPH-UHFFFAOYSA-N 315.304 1.939 0 40 DDAB Cc1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1F 122039008 HUUGTIHYMOLKTA-QWRGUYRKSA-N 306.337 1.587 0 40 DDAB Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCN(C=O)CC1 72222648 DSTCREOKIDQWIA-KRWDZBQOSA-N 310.401 1.717 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1Cl 30855966 SAJGRKSZAJFFRE-UHFFFAOYSA-N 302.783 1.948 0 40 DDAB CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccs1 72238152 HVZVSJMYPJLJOE-SLEUVZQESA-N 322.430 1.953 0 40 DDAB COCCc1ccc(S(=O)(=O)N(C)c2cnccn2)cc1 225437326 LWIXSNAOHNYGAJ-UHFFFAOYSA-N 307.375 1.491 0 40 DDAB Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225555886 AANUNRRDXMARPB-GFCCVEGCSA-N 317.349 1.481 0 40 DDAB O[C@@H](CN1CCN(CCc2ccncc2)CC1)c1ccccc1 69652144 DOVXPTODISGDFM-IBGZPJMESA-N 311.429 1.975 0 40 DDAB Cc1nnc([C@H](C)N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)o1 69608447 PBJWDNYCRLLAOJ-ZNMIVQPWSA-N 321.469 1.929 0 40 DDAB Cc1occc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40111120 FTKUUOHYCYTSRL-MRXNPFEDSA-N 313.313 1.895 0 40 DDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)N1CC1CC1 96056553 QHLJOPIZCBLJOU-ZIAGYGMSSA-N 300.362 1.092 0 40 DDAB O=C1N[C@H](c2ccccc2)C12CCN(c1nncs1)CC2 96080424 PYAXNDXTVMFLCC-GFCCVEGCSA-N 300.387 1.996 0 40 DDAB O=C(Cc1ccccn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161498 ZFBHGCQJEXSTQH-CALCHBBNSA-N 322.412 1.610 0 40 DDAB c1cnc(O[C@@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96222531 KCERBHXTAMKJKU-XJKSGUPXSA-N 313.361 1.474 0 40 DDAB CC(C)N(C)C[C@H]1CO[C@@]2(COCCN(C(=O)N(C)C)C2)C1 96052005 ZYDAGCDZXMQYRA-HOCLYGCPSA-N 313.442 1.116 0 40 DDAB Cn1cc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)cn1 96158239 CKQWEKBNLQTDOD-QGZVFWFLSA-N 312.421 1.703 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(c1ncc(F)cn1)CC2 96217789 UGRCESYVVAMMLI-MRXNPFEDSA-N 322.384 1.614 0 40 DDAB CCN1CCC[C@@H]1CNS(=O)(=O)Cc1c(F)cccc1F 97102328 NKKAMSALRLOPOP-LLVKDONJSA-N 318.389 1.869 0 40 DDAB COC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2nnn(C)c21 96060611 LVKINPYJLRLNRL-ZDUSSCGKSA-N 302.378 1.570 0 40 DDAB CC(=O)N1[C@@H](c2ccccc2)C[C@H]2[C@H]1CCCCN2CC(N)=O 257309666 UBWUYOQDXFTGOC-ZACQAIPSSA-N 315.417 1.688 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCO1 26401004 IRUWHTSENYPRKQ-XQQFMLRXSA-N 306.362 1.693 0 40 DDAB CC(C)CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([C@H](C)O)C1 253369845 IUJPFQJGWKUVJG-ARFHVFGLSA-N 311.470 1.909 0 40 DDAB CCc1nccn1CCC(=O)N1CCC[C@H]2NCCCC[C@@H]21 257317852 VLLYAXGLKUJXLW-CABCVRRESA-N 304.438 1.969 0 40 DDAB NCc1cn(-c2ccccc2C(=O)NCc2cccnc2)cn1 257214129 CKRAJPCDURJJPD-UHFFFAOYSA-N 307.357 1.656 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 257269902 MRXFEZWGAMKCEA-WMZOPIPTSA-N 318.417 1.858 0 40 DDAB COc1ccccc1C(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 257289071 PWWASYUFJXXRBJ-ZDUSSCGKSA-N 301.346 1.940 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 575403910 IPSOTDJLJPYIED-INIZCTEOSA-N 315.373 1.457 0 40 DDAB Cc1snnc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 585107694 YRICCTANKRSJGF-MNOVXSKESA-N 306.391 1.072 0 40 DDAB Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)c1 585104735 SPBDSGVKJOUTQS-SFHVURJKSA-N 302.418 1.984 0 40 DDAB Cc1nnc2n1CCN(Cc1cc(Cl)c3c(c1)OCO3)C2 69483768 USRRRTSHBIPYMF-UHFFFAOYSA-N 306.753 1.984 0 40 DDAB CC(C)[C@@H](NC(=O)Cn1ncc2ccccc21)C(=O)N(C)C 72270494 UFFPHLMFKNIYPD-OAHLLOKOSA-N 302.378 1.265 0 40 DDAB O=C(Nc1ccccc1CN1CCSCC1)[C@@H]1COCCO1 61284995 VMQMJCCALYHJDR-HNNXBMFYSA-N 322.430 1.589 0 40 DDAB Cc1cc(N)n(-c2cc(N3CCN(C(C)C)CC3)ncn2)n1 75107079 CUDIEUZZFOYUMS-UHFFFAOYSA-N 301.398 1.083 0 40 DDAB CC/C=C(\C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 96256269 PTQAIIUZFMENSH-VZUCSPMQSA-N 306.362 1.532 0 40 DDAB Cn1cc(N2CCC[C@@H](Nc3cccc(CO)c3)C2=O)cn1 98014345 YXGPIKSGSSFAAM-OAHLLOKOSA-N 300.362 1.520 0 40 DDAB CCOC(=O)N[C@H]1[C@H]2CC(=O)[C@H](O2)[C@@H]1OCc1ccccc1 5808412 IQQHHPWRSOVMNA-CBBWQLFWSA-N 305.330 1.427 0 40 DDAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)cc1 13735693 JJKMFCLWKDLGNK-LLVKDONJSA-N 301.306 1.117 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 14235745 CXTQURHEUBLXON-JTQLQIEISA-N 307.293 1.622 0 40 DDAB Cc1ccccc1NC(=O)c1cnc2nc(C(=O)O)nn2c1C 17032237 BHBNLMDGMAYWQN-UHFFFAOYSA-N 311.301 1.692 0 40 DDAB Cc1nn(C(C)C)cc1C(=O)N1CCNC(=O)[C@H]1CC(C)C 519654169 UILMSKBBPHFXJE-CQSZACIVSA-N 306.410 1.759 0 40 DDAB O=C1NC=CC[C@@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 19335111 KNUFVLIJZCIDQH-HNNXBMFYSA-N 324.377 1.630 0 40 DDAB O=C(CCn1cncn1)Nc1ccc(N2CCOCC2)cc1 10816440 UNMITSWEPFMGGJ-UHFFFAOYSA-N 301.350 1.144 0 40 DDAB COC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@@H]2CO)cc1 8188283 BCEQAJOMZHTGNU-HUUCEWRRSA-N 323.389 1.060 0 40 DDAB c1cc2sc(=N[C@@H]3CCN(C4CCOCC4)C3)[nH]c2cn1 1889077167 LOMHNFYWQXQISA-LLVKDONJSA-N 304.419 1.778 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(F)c1 24689675 QIWKLULTESZJFR-ZDUSSCGKSA-N 314.382 1.370 0 40 DDAB CN(C)c1ccnc(N2CCC(NC(=O)C(C)(C)C)CC2)n1 2087121012 HVTAOWPBWCLLMP-UHFFFAOYSA-N 305.426 1.674 0 40 DDAB CC(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cscn3)O2)C1 2055822729 TXHXKEWPXCDEFV-IUODEOHRSA-N 323.418 1.433 0 40 DDAB O=C(NCCc1nccs1)N[C@@H]1c2ccccc2C[C@@H]1O 51757981 MLYLAXMBTIUJFV-GXTWGEPZSA-N 303.387 1.643 0 40 DDAB O=C(NCc1nccnc1-c1ccoc1)NC[C@@H]1CCCO1 575620500 NOMNZKHQBCROEH-LBPRGKRZSA-N 302.334 1.715 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1ccc(O)cc1 34785 MDUROWBHWIAWDQ-AWEZNQCLSA-N 320.345 1.288 0 40 DDAB CCN(Cc1ccc(OC)c(F)c1)c1ccc2nnnn2n1 40480453 FAPLAWIVLMXEHS-UHFFFAOYSA-N 302.313 1.694 0 40 DDAB O=C(NCCNc1cnccn1)[C@@H]1Cc2cc(Cl)ccc2O1 40512320 GBNGLPCCEYVGIF-ZDUSSCGKSA-N 318.764 1.662 0 40 DDAB Nc1nc(Cl)cc(N2CCC(CN3CCOCC3)CC2)n1 40555535 XKBWNKYXTBTOBQ-UHFFFAOYSA-N 311.817 1.261 0 40 DDAB CCC(=O)NC1CCN(Cc2nnnn2-c2ccccc2)CC1 40540285 GQCCMQFZGMRXHX-UHFFFAOYSA-N 314.393 1.153 0 40 DDAB O=C1CCCCCN1CCNS(=O)(=O)c1cccc(F)c1 32443839 ZHIVZZOOJNFKMC-UHFFFAOYSA-N 314.382 1.507 0 40 DDAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2N1CCOCC1 32603874 SZAQTVXFPGVFML-CQSZACIVSA-N 319.405 1.361 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCc2sccc2C1 21419987 FXYWCRXYGLAIQS-VIFPVBQESA-N 304.423 1.701 0 40 DDAB NC(=O)[C@@H]1CCN(c2ncnc3c2cnn3-c2ccccc2)C1 52393461 XTNLUZBXNVYBGX-LLVKDONJSA-N 308.345 1.127 0 40 DDAB CN(Cc1ccc(Cl)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 52798876 IQQHCEIARGLIKJ-UHFFFAOYSA-N 317.780 1.942 0 40 DDAB CC1(C)Cc2nc3sc4c(=O)n(N)cnc4c3cc2CO1 497090 HUDMQHQPUUFFPJ-UHFFFAOYSA-N 302.359 1.571 0 40 DDAB O=C1CCSc2ccc(C(=O)NC[C@H]3CCOC3)cc2N1 41376979 MWFQOYQTQCWXII-SNVBAGLBSA-N 306.387 1.887 0 40 DDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O 41616456 FDNOFKRCDLVSNN-FRRDWIJNSA-N 307.394 1.114 0 40 DDAB COC(=O)c1ccc(=O)n(Cc2cc(C(C)=O)ccc2OC)c1 22190703 MIMACVUFTKIIML-UHFFFAOYSA-N 315.325 1.894 0 40 DDAB O=C(CN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCNC1=O 53369466 ISMPZMYIFVHLEN-ZDUSSCGKSA-N 323.780 1.265 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)NCc1nnc2ccccn12 22324221 LTEQKPYGIZWAAL-UHFFFAOYSA-N 304.741 1.355 0 40 DDAB COc1cccc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 22591011 WINLXILPGIJZSM-CQSZACIVSA-N 317.433 1.480 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)c2[nH]nc3c2CCCC3)C1 8996693 WECQPYGUVJCZFA-NSHDSACASA-N 305.378 1.704 0 40 DDAB CCN(CC)CCNC[C@H](O)COCc1ccc2c(c1)OCO2 22925511 KQMXQQRQVVHHTP-HNNXBMFYSA-N 324.421 1.224 0 40 DDAB C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccccc2)C[C@H](C)O1 815441 BHBPXWVVBSVXNP-STQMWFEESA-N 311.403 1.237 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1c(OC)cccc1OC 3395110 PZUZENMKGVDPID-UHFFFAOYSA-N 324.333 1.096 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 4702811 FFLXBNFRQNGMHI-RRFJBIMHSA-N 301.390 1.723 0 40 DDAB C[C@H](C(=O)/N=c1/sccn1C)N1C(=O)c2ccccc2C1=O 105000176 QNKCPTQIXMKRAA-HOBGCTPMSA-N 315.354 1.199 0 40 DDAB Cc1cn2c(CC(=O)Nc3ccc(C(N)=O)cc3)csc2n1 12560189 DODHXUMCFDVUII-UHFFFAOYSA-N 314.370 1.984 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1F 42985884 NPKGLYMJJOTCLB-SNVBAGLBSA-N 300.355 1.020 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnc2c(c1)c(C)nn2C 24376417 GMIGRKYQSWGFNI-UHFFFAOYSA-N 320.378 1.417 0 40 DDAB Nc1nc(=O)c(N2CCN(c3cccc(Cl)c3)CC2)ns1 8782874 MWPHUEWCZSVHDG-UHFFFAOYSA-N 323.809 1.461 0 40 DDAB CCCCNC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 35335107 YXQHVDXAPJJGPC-UHFFFAOYSA-N 318.421 1.435 0 40 DDAB O=C(NCCc1cn2ccccc2n1)c1cc2c([nH]c1=O)CCC2 84606731 AGTZSDJSYYBSQW-UHFFFAOYSA-N 322.368 1.484 0 40 DDAB Cc1noc(C(C)C)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44720695 ANLDXHWIGZVPJA-JTQLQIEISA-N 300.380 1.271 0 40 DDAB COCc1cccc(C(=O)NCCCCN2CCOCC2)c1 48285009 AXGDDJKSOPEPJI-UHFFFAOYSA-N 306.406 1.675 0 40 DDAB Cc1cccnc1NC(=O)CCCn1nnc2ccccc2c1=O 44920822 GNVSLSBSUFLRFA-UHFFFAOYSA-N 323.356 1.914 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CCCO1 44910419 AACVBKLRHFGVAK-HIFRSBDPSA-N 304.394 1.481 0 40 DDAB CCOCCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 44967920 YQKCNWISZKZARE-CYBMUJFWSA-N 317.393 1.655 0 40 DDAB Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)no1 62292203 UNTRJGASUISLEN-GFCCVEGCSA-N 309.366 1.999 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1cccc(Cl)c1 100887254 FCOWNMLTFXATJR-UHFFFAOYSA-N 322.777 1.414 0 40 DDAB CCN(CC)S(=O)(=O)NCCNC(=O)CC1CCCCC1 58330851 IOZCBNAHAUCAJW-UHFFFAOYSA-N 319.471 1.249 0 40 DDAB Cc1nc(C(=O)N2CCN(C)CC2)nn1-c1ccccc1Cl 58300661 WIDWLGNCFBQFGA-UHFFFAOYSA-N 319.796 1.617 0 40 DDAB CC(C)CCN(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58393950 ANRQPFBZIVZMQM-UHFFFAOYSA-N 323.418 1.856 0 40 DDAB COc1ncccc1CNC(=O)c1ccc(C(N)=S)cc1 58343683 LVSDPPAIPDLSDQ-UHFFFAOYSA-N 301.371 1.654 0 40 DDAB CC(C)CS(=O)(=O)CCC(=O)NC[C@@H](C)Cn1cccn1 58313426 QMIMUDZKFRNEPD-CYBMUJFWSA-N 315.439 1.096 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 45654950 KHIQVHOPHZXEAU-QWRGUYRKSA-N 314.382 1.621 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(SC)nn32)cc1 101353776 RXXOOOAUUAHWSL-NSHDSACASA-N 318.358 1.992 0 40 DDAB CC(=O)NCC1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 48310626 JKZDAVIZRYHJKY-UHFFFAOYSA-N 308.403 1.939 0 40 DDAB COc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1Cl 11905157 WLWZSRZTMNRQMX-UHFFFAOYSA-N 323.736 1.227 0 40 DDAB O=C(CCN1CCN(c2cnccn2)CC1)Nc1ccccc1 37176425 JLXJXDNFEWOXJM-UHFFFAOYSA-N 311.389 1.627 0 40 DDAB O=C(CCc1nc(Cc2ccccc2)no1)NC[C@@H]1CCCO1 46738295 WKKCWDFIROQLLQ-AWEZNQCLSA-N 315.373 1.888 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 12862265 BMQRDGDNLKIKEK-SNVBAGLBSA-N 318.329 1.714 0 40 DDAB O=C(CC1(O)CCCCC1)N[C@@H]1CCN(c2ccccn2)C1 95435583 NIXCTRBCEGYWRN-CQSZACIVSA-N 303.406 1.862 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 3487613 VCEGGXGCIXCHOQ-CYBMUJFWSA-N 303.362 1.900 0 40 DDAB CCCCN(C)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 12905378 JPIJRFAFLSUSEF-AWEZNQCLSA-N 320.368 1.504 0 40 DDAB COCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 4122289 YSWJYNQVKKXDDQ-UHFFFAOYSA-N 304.268 1.797 0 40 DDAB COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c1 13730591 YQZPXSGPZWISHK-LLVKDONJSA-N 301.306 1.117 0 40 DDAB CN(Cc1ccco1)C(=O)N[C@@H]1CCCc2c1cnn2CCO 65439966 WHFDORCJBQPLBD-CQSZACIVSA-N 318.377 1.687 0 40 DDAB COC(=O)CNC(=O)CSc1cc(C)c2ccccc2n1 6330599 ZQENSTZXCXRBDM-UHFFFAOYSA-N 304.371 1.925 0 40 DDAB NC(=O)C1CCN(CCCNCc2cccc3c2OCO3)CC1 65502721 XWGLHHCXBCTOLK-UHFFFAOYSA-N 319.405 1.092 0 40 DDAB O=C(NN1C(=O)c2ccccc2C1=O)[C@H]1COc2ccccc2O1 14159447 SIFWLDDYDRDLAO-CQSZACIVSA-N 324.292 1.154 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)Cn1nnc(-c2ccccc2)n1 65612235 LIJUMIRYJFMISN-QGZVFWFLSA-N 323.400 1.833 0 40 DDAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)OCO2 5489220 CVHVBRNBELFYRI-UHFFFAOYSA-N 310.313 1.431 0 40 DDAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(=O)[nH]n1 6566923 LNFMODPITQCLCG-UHFFFAOYSA-N 317.692 1.726 0 40 DDAB O=C(CN1CCCCCC1=O)NCCOc1ccccc1F 6548547 YHCGCCXYBOZZNW-UHFFFAOYSA-N 308.353 1.723 0 40 DDAB O=C(c1ccnc(C2CC2)n1)N1CCN(Cc2ccncc2)CC1 66371693 DLFIUNFIMPRVNG-UHFFFAOYSA-N 323.400 1.707 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc1 6934860 DSTBRJRWMCNBJW-HNNXBMFYSA-N 302.374 1.202 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(F)cc1 7215623 YHLOILPXKBWUFT-UHFFFAOYSA-N 302.371 1.361 0 40 DDAB O=S1(=O)CC[C@H](CNC2CCN(Cc3ccccc3)CC2)C1 74231368 LEGRBMVYKVCBCA-MRXNPFEDSA-N 322.474 1.675 0 40 DDAB O=C(N[C@@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)CCO1 96420525 QECLGYKLLCJVCE-CVEARBPZSA-N 304.390 1.183 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@H](CCSC)C(=O)O)c1 8274294 ZDINCSSCZSUAJU-GFCCVEGCSA-N 313.375 1.640 0 40 DDAB O=C(NC[C@H]1COCCO1)c1cccnc1SC(F)(F)F 70013273 GMSRWLXRAOYULB-QMMMGPOBSA-N 322.308 1.839 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1cccc(OC(F)F)c1 71888282 OWCPJCVDSHRIAN-UHFFFAOYSA-N 310.260 1.671 0 40 DDAB Cc1cccc(N(CCC(N)=O)CC(=O)N2CCC(C)CC2)c1 69533210 NWOHIZNVXRYPGD-UHFFFAOYSA-N 317.433 1.935 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C[C@H](O)COC[C@@H]2CCCO2)c1 71876993 ISEJQBSEGVUTPX-ULQDDVLXSA-N 323.437 1.212 0 40 DDAB CCC(=O)N1CCCN(CC[S@@](=O)c2ccccc2)CC1 69846962 MSYBNNKJXNBEFQ-NRFANRHFSA-N 308.447 1.739 0 40 DDAB COc1ccc(-c2noc([C@H]3CCS(=O)(=O)C3)n2)cc1OC 69817084 ROYBPNKHOLUZMX-JTQLQIEISA-N 324.358 1.656 0 40 DDAB Cc1nc(C)n(C[C@@H](O)COCc2ccc3c(c2)OCO3)n1 92197708 ISCVYSQUXOTVKU-CYBMUJFWSA-N 305.334 1.201 0 40 DDAB OCCN1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 69948345 CPPICAYEHXPQFF-CQSZACIVSA-N 318.339 1.349 0 40 DDAB COn1nnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 95966712 ICEMQLABWLJLMR-GHMZBOCLSA-N 324.406 1.156 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)NCCCn1ncccc1=O 38517283 FAQIPQBOXGNZHW-UHFFFAOYSA-N 310.357 1.474 0 40 DDAB C[C@H]1CN(c2cc(N3C[C@H](C)O[C@H](C)C3)ncn2)C[C@@H](C)O1 95946012 CBULBOWNUQOPPW-KPWCQOOUSA-N 306.410 1.704 0 40 DDAB Cc1cc(O)ccc1C(=O)N1CC[C@H](CN2CCOCC2)C1 95976477 PQYJNPPLJZMQQC-CQSZACIVSA-N 304.390 1.495 0 40 DDAB CCc1ncsc1NC(=O)C(=O)NCCc1cccc(O)c1 95972445 CHTWPSYBQPXKGI-UHFFFAOYSA-N 319.386 1.709 0 40 DDAB COc1ccc2cc(CNC(=O)c3ccc(=O)[nH]n3)ccc2c1 9876571 RMFBMELXSSMSOV-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccn1C)CC2 72295897 YEPAXGXLQMDKHG-UHFFFAOYSA-N 319.386 1.136 0 40 DDAB CCc1nc2n(n1)C[C@H](Nc1nn3cc(C)nc3s1)CC2 72276369 ZZBAPGOILLROIC-SECBINFHSA-N 303.395 1.680 0 40 DDAB Cc1csc([C@@H]2CCCCN2C(=O)CN2CCCNC2=O)n1 72273813 QGFHEQOYJOSPTK-LBPRGKRZSA-N 322.434 1.920 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)n1 72253036 HKGLLSDOUHSFCB-JKSUJKDBSA-N 304.438 1.975 0 40 DDAB C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](C)NC(=O)C1CCCCC1 87422578 VTKSUYCSMYSFPA-CHWSQXEVSA-N 312.454 1.985 0 40 DDAB C[C@@H](CO)NC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 97117514 XLOUKLLVVPUDQC-JTQLQIEISA-N 319.386 1.169 0 40 DDAB CCn1nc2c(cc1=O)CN(CCOc1ccc(F)cc1)CC2 72302268 WIUMOCYHSJOZFS-UHFFFAOYSA-N 317.364 1.839 0 40 DDAB CCS(=O)(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 75106872 MGLJTWVIAXZZMS-CYBMUJFWSA-N 322.430 1.952 0 40 DDAB O=C(NCC1(c2ccccc2)CCC1)[C@H]1CN2CCCN1CC2 89827725 WEHFRPLFGYSJEM-QGZVFWFLSA-N 313.445 1.614 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccncc2)no1 89937980 XGZRRJUIVYPTPV-GFCCVEGCSA-N 315.377 1.227 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C3=COCC3)CCO2)n1 76046658 VXXPPKVJHVSPMD-NSHDSACASA-N 306.366 1.306 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc2ccccc2[nH]1 28037706 JNLVUUYHMFKXFM-UHFFFAOYSA-N 320.374 1.988 0 40 DDAB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)nn1 33941906 WAATXMVIEVPBKM-UHFFFAOYSA-N 318.245 1.344 0 40 DDAB CCOc1ccc2cc(C(=O)N[C@H]3CC(=O)N(C)C3)[nH]c2c1 69516978 OORJMLHSYPKXTK-NSHDSACASA-N 301.346 1.527 0 40 DDAB O=C(O)Cc1cnc(COc2cccc3cccnc23)[nH]c1=O 217385836 UEERFLBYXCBKFI-UHFFFAOYSA-N 311.297 1.524 0 40 DDAB Cc1nc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cs1 173161035 TURGKZZDYGTLRA-UHFFFAOYSA-N 315.464 1.451 0 40 DDAB COc1ccc(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)cc1F 128388052 XIDLTZGDKSSRSI-ZDUSSCGKSA-N 319.398 1.862 0 40 DDAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1cc(F)ccc1OC 79324390 GWQWEWCGZSFWEJ-SBKAZYGRSA-N 301.383 1.998 0 40 DDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCCn2ncnc21 78556787 BEEHMUAJPWYNIR-UHFFFAOYSA-N 300.290 1.155 0 40 DDAB CSc1nc(O[C@H]2CCCNC2)cc(O[C@H]2CCCNC2)n1 72203280 BKVBAFLLRBYJGB-RYUDHWBXSA-N 324.450 1.460 0 40 DDAB CC(C)NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38832224 DILGSXBJOVMNCN-CYBMUJFWSA-N 312.391 1.128 0 40 DDAB Cc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cs1 73472898 DQLVLVOQKLBGFS-CMPLNLGQSA-N 324.450 1.039 0 40 DDAB O=C(O)CN(C(=O)c1ccnc(C2CC2)c1)C1CCOCC1 566233635 BHVRBTLBFKNHLU-UHFFFAOYSA-N 304.346 1.665 0 40 DDAB CCCCS(=O)(=O)NCc1nccc(N2CCCCC2)n1 224166945 UXNXHDAHBMRDNV-UHFFFAOYSA-N 312.439 1.686 0 40 DDAB COc1ccc(Br)c(S(=O)(=O)NCCCN)c1 195544483 SFMRIHYTZYWSAW-UHFFFAOYSA-N 323.212 1.085 0 40 DDAB CO[C@@H]1C[C@@H](c2nncn2C)N(c2ccnc(C(C)C)n2)C1 572143705 IRWHSOQHMYTOFZ-NEPJUHHUSA-N 302.382 1.695 0 40 DDAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 225805546 VEQPFQFBXPUXKR-AWEZNQCLSA-N 312.435 1.781 0 40 DDAB Nc1c(I)cnn1Cc1ccccn1 43667000 SKCCTIQKVUHTLM-UHFFFAOYSA-N 300.103 1.513 0 40 DDAB CN(c1ccc(CC(=O)N2CCCCC2)cc1)S(C)(=O)=O 225977840 ROBXUBUNMOOUOC-UHFFFAOYSA-N 310.419 1.637 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2cccnc2C)C1 225388541 NOXMRABOUZCDSO-LBPRGKRZSA-N 314.345 1.482 0 40 DDAB O=C(c1ccn(-c2ccccc2)n1)N1CCOC[C@]12CCOC2 194423223 LVPJOCVOTKFOLE-QGZVFWFLSA-N 313.357 1.504 0 40 DDAB C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 225478446 COZGRNVGLKAZTP-IUCAKERBSA-N 322.352 1.852 0 40 DDAB O=C(O)[C@@H]1CCc2nn(Cc3ccccc3F)c(=O)cc2C1 96531413 FEQBBGMIWHMLBZ-SNVBAGLBSA-N 302.305 1.620 0 40 DDAB CC(=O)N1CCC2(CC1)CN(C(=O)c1ccc(C)nc1)CCO2 96268243 FGDZPGKQKQLPNA-UHFFFAOYSA-N 317.389 1.244 0 40 DDAB CN1CC[C@@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)C1 96201923 YYRVZWFNAUHELQ-QGZVFWFLSA-N 306.381 1.549 0 40 DDAB CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnnc3)[C@H]2C1 96091795 YSJHDNKKXDSMOQ-YESZJQIVSA-N 322.368 1.523 0 40 DDAB COCC(=O)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238782 WIKYRKQZBVZWRA-MRXNPFEDSA-N 306.337 1.428 0 40 DDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(c1ncccn1)C2 96157538 KHXOYFSVWIZUPK-UHFFFAOYSA-N 324.388 1.399 0 40 DDAB COCCN1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1 257300768 RVPHQTLNHROXRH-UHFFFAOYSA-N 320.393 1.334 0 40 DDAB Cc1nc(C[C@H]2CCCN(c3cnccn3)C2)cc(C(N)=O)n1 257230919 GEMUBFPMSJFVJJ-GFCCVEGCSA-N 312.377 1.133 0 40 DDAB O=C1CCCN1CC(=O)N1CCC[C@H](Cc2cccnc2)C1 257306418 SUEYJFBVMNYYEK-OAHLLOKOSA-N 301.390 1.485 0 40 DDAB c1cnc(C[C@H]2CC3(CCN(Cc4ncc[nH]4)CC3)CO2)cn1 257262510 LLRTVSPFPUVDRW-HNNXBMFYSA-N 313.405 1.814 0 40 DDAB Cc1cncc(C2CCN(C(=O)c3cnn4cccnc34)CC2)n1 257305346 SPOKSBYQQHDWNE-UHFFFAOYSA-N 322.372 1.848 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 257266639 MDVLSYYAPYTYBL-CQSZACIVSA-N 316.323 1.844 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1cnc(-n2ccnc2)nc1 85555546 SZSKQUCLKCCFOJ-UHFFFAOYSA-N 322.328 1.031 0 40 DDAB Cc1oncc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 253470985 AJYMCUSKGSPTPY-UHFFFAOYSA-N 322.346 1.366 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)C2(c3ccccc3F)CC2)CCO1 257230478 GCNIHBHQDORWNM-INIZCTEOSA-N 320.364 1.221 0 40 DDAB Cn1nc(C2CN(C(=O)c3cncs3)C2)c2nccnc21 257250626 JNIQELOQSOLMKH-UHFFFAOYSA-N 300.347 1.059 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2cccc(O)n2)cc1 257311555 UKAGRAVCURVSMW-OAHLLOKOSA-N 313.357 1.583 0 40 DDAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cscn1 575609084 RRVBYGPLTARDNF-UHFFFAOYSA-N 302.359 1.595 0 40 DDAB CCCNC(=O)C1=NO[C@]2(CCCN(c3cnccn3)C2)C1 585101187 MCNNXJVHLYDQPE-OAHLLOKOSA-N 303.366 1.118 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(C)C2)CC1 585102317 ZJXXENJFCBHPOB-UHFFFAOYSA-N 305.378 1.766 0 40 DDAB C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccccn1 1558783686 KBXHLEOAZCASNR-KRWDZBQOSA-N 310.357 1.612 0 40 DDAB CCc1cnc(OC2CCN(Cc3nc(C)no3)CC2)nc1 1776008658 LKZKPILDPRDROU-UHFFFAOYSA-N 303.366 1.774 0 40 DDAB C[C@@H](OC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)N1CCCC1 61447790 GDXFWNJFPZHARD-SNVBAGLBSA-N 304.346 1.031 0 40 DDAB CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)[C@H](C)C1 76058524 RBWGWQAFSHKLGF-IAQYHMDHSA-N 310.419 1.335 0 40 DDAB CCC(=O)C1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 516848617 RJBGCURCSOYRPP-WWGRRREGSA-N 309.406 1.931 0 40 DDAB Cc1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)nc1O 5009389 FKOZZYBLVANMAW-SECBINFHSA-N 316.386 1.956 0 40 DDAB CCCNC(=O)COC(=O)c1ccc2nc(C)c(C)nc2c1 5507199 CIYKJVXZHQCSHS-UHFFFAOYSA-N 301.346 1.930 0 40 DDAB CCc1nccn1CC(=O)NCc1noc(-c2ccccc2)n1 12143798 OZXRHJWOOUTVHQ-UHFFFAOYSA-N 311.345 1.812 0 40 DDAB Cn1c(=O)n(CC(=O)NCc2cccc(F)c2)c2cccnc21 13265424 RLDPKPPJLCGFRW-UHFFFAOYSA-N 314.320 1.191 0 40 DDAB CCn1nc(C(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc2c1=O 14166710 NIRMSDRVVIWJGO-TXEJJXNPSA-N 315.373 1.666 0 40 DDAB Fc1ccc(NC(=S)NCCCN2CCOCC2)cc1F 16221620 IGHXZZHKKXSQAP-UHFFFAOYSA-N 315.389 1.974 0 40 DDAB CCOc1ccc(Oc2nc(NC3CC3)nc(N(C)C)n2)nn1 16856958 CPFQRFQXRVPAIB-UHFFFAOYSA-N 317.353 1.493 0 40 DDAB O=C(c1cc2ncccn2n1)N1CCc2ncc(Cl)cc2C1 19404539 QBWSDMACERLBAU-UHFFFAOYSA-N 313.748 1.976 0 40 DDAB CC(=O)NCC[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C 19748976 VTAJRZQJXNTUFW-OAHLLOKOSA-N 306.410 1.407 0 40 DDAB CCOC(=O)c1cnc(N[C@@H](C)c2nccc(N)n2)nc1C 521398404 DUVGOFPGNXLFLD-VIFPVBQESA-N 302.338 1.507 0 40 DDAB Cn1nc(C(=O)NCC[C@@]2(O)CCCOC2)c2ccccc21 529512352 JNDIUTOFGLVNSC-INIZCTEOSA-N 303.362 1.235 0 40 DDAB NC(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 3407683 CRIGYMUNTNZMHF-UHFFFAOYSA-N 312.251 1.640 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 5773260 QUNXLKKGJSBVTB-VIFPVBQESA-N 324.402 1.875 0 40 DDAB Cc1cc2c(=N[C@@H]3CCN(C4CCOCC4)C3)[nH]ccn2n1 1889077120 DQPLOCPTKVXYSK-CYBMUJFWSA-N 301.394 1.125 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(Cc2csc(C3CC3)n2)CCO1 1889077139 QMWCZPLNIVROKN-ZDUSSCGKSA-N 307.419 1.500 0 40 DDAB Cc1cccc(NC(=O)NCC(=O)NCc2ccnn2C)c1 24650611 GNPXVJMLUQKKLX-UHFFFAOYSA-N 301.350 1.166 0 40 DDAB CCOCCCNC(=O)c1nn(CC)cc1Br 27971319 OFRRLMVDVIENPR-UHFFFAOYSA-N 304.188 1.822 0 40 DDAB Cc1ccsc1CN1CCO[C@]2(COCC(=O)N(C)C2)C1 2037980760 HOYRSZRZABPVGQ-HNNXBMFYSA-N 310.419 1.116 0 40 DDAB COc1ccc(F)cc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037984294 WPWIRMGVIBOWPB-WFASDCNBSA-N 322.380 1.513 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@H]2c3nc(N4CCCC4)ncc3C[C@H]2C1 1565554452 ROMXYJZMMWXEQC-QWHCGFSZSA-N 324.388 1.212 0 40 DDAB Cc1nc2sc([C@@H](c3ccco3)N3CCOCC3)c(O)n2n1 4111868 AVSQPCDYTBQJQM-LLVKDONJSA-N 320.374 1.819 0 40 DDAB NC(=O)CSc1nnc(NC(=O)Nc2cccs2)s1 5253614 PCWQHBGLUZWKSC-UHFFFAOYSA-N 315.405 1.821 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2cccc(C)c2)C1 2055772603 AWYJMBHKIZCMCM-SFHVURJKSA-N 312.417 1.929 0 40 DDAB Cn1c(C(=O)N2CC[C@@]3(COc4ccccc43)C2)cccc1=O 2055793263 HVGYYDRASCVTST-SFHVURJKSA-N 310.353 1.562 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cnoc2C)c(C)c1 575608254 JMAPWSSWXLMIHB-UHFFFAOYSA-N 323.374 1.728 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1C 40105041 JOSKOOGIGDDDFB-CQSZACIVSA-N 324.446 1.867 0 40 DDAB CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3)nc2C)CCO1 30857898 PKZLKDWPIIDATI-CQSZACIVSA-N 300.362 1.827 0 40 DDAB O=C(NCCc1nccs1)[C@@H]1CCCN(c2ncccn2)C1 50468593 QWUDUDOCSKLNFK-GFCCVEGCSA-N 317.418 1.508 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 40521649 KZDQRHZBCFNKKJ-AAEUAGOBSA-N 308.765 1.428 0 40 DDAB COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2)ccn1 40555409 XSSYZGITBIIGMU-UHFFFAOYSA-N 306.343 1.350 0 40 DDAB COc1cccc(C[C@H](C(=O)NCC(C)C)n2nnnc2C)c1 40540145 XACWDHMRDOEUOI-OAHLLOKOSA-N 317.393 1.546 0 40 DDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2F)C1 20588568 SZCNOBBVBRXTPZ-JTQLQIEISA-N 318.352 1.648 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)c2c(=O)[nH]c(=O)[nH]c2n1 20607266 HBCBDBLSKJQBLL-KCJUWKMLSA-N 316.361 1.228 0 40 DDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccccc1O 41419801 HHJJRPXIDZEMFP-MRXNPFEDSA-N 322.430 1.330 0 40 DDAB NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 92735911 NNRKTDCWSCUBNB-NSHDSACASA-N 306.259 1.531 0 40 DDAB CN(C)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 337620 XLSZVXKBJCLWJZ-UHFFFAOYSA-N 309.325 1.694 0 40 DDAB COC[C@@H](NC(=O)[C@@H]1CCc2[nH]ncc2C1)c1ccc(C)o1 95441302 UNYQKPSSLMYLNI-BXUZGUMPSA-N 303.362 1.920 0 40 DDAB O=C1CN(c2ccnc3cc(Br)ccc23)CCN1 78758852 IHQYCKBSUBDXJU-UHFFFAOYSA-N 306.163 1.934 0 40 DDAB CCC(=O)N1CC[C@H](NCc2ccc(C(=O)NC)cc2)[C@@H](C)C1 78897547 BKJAXJXVHUKQMD-BBRMVZONSA-N 317.433 1.783 0 40 DDAB CCOC(=O)C1=C(c2ccc3c(c2)OCO3)NC(=O)N[C@@H]1C 3190183 DRAGSUGWZHDBRW-MRVPVSSYSA-N 304.302 1.391 0 40 DDAB Cc1c(NC(=S)N(C)CCO)c(=O)n(-c2ccccc2)n1C 3237003 DFEXZKNPWLKECI-UHFFFAOYSA-N 320.418 1.105 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C)cc2)C1 57318707 DWCYJJMOSLRMPM-ZBFHGGJFSA-N 318.417 1.998 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)no1 71185990 FTRWZGSRXZTFET-NSHDSACASA-N 306.343 1.632 0 40 DDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1Cc2ccccc2O1 12527857 RPOATAJHYPVXCW-AWEZNQCLSA-N 307.313 1.605 0 40 DDAB CC[C@@H]1CN(C(=O)CN[C@H](C)[C@H](C)n2cc(C)cn2)CCO1 106845590 NTYZBCKXELNEBQ-QLFBSQMISA-N 308.426 1.368 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 48060994 DCCPMBZUYNMUAU-LBPRGKRZSA-N 322.409 1.159 0 40 DDAB CN1N=C(C(=O)Nc2nnc(-c3ccccc3)s2)CCC1=O 25449639 DPXHXEUNYYBHCN-UHFFFAOYSA-N 315.358 1.752 0 40 DDAB CCOC(=O)[C@H](N)[C@]1(N2CCOCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635533 SWNZLWUXFFBWHH-LBTBCDHLSA-N 324.465 1.794 0 40 DDAB CCN(CC(=O)NC)C[C@H](O)c1cccc(C(F)(F)F)c1 56509369 HYZQAWJJYCKRRK-LBPRGKRZSA-N 304.312 1.807 0 40 DDAB C[C@H](NC(=O)CNS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 57031953 KOKBMJLPPGEUSE-OWWVKFPZSA-N 314.451 1.257 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N[C@H](C)CN2CCCCC2)C1 108456244 ADYZWCOGXLBVTI-UONOGXRCSA-N 303.472 1.427 0 40 DDAB N=C1N(c2ccccc2)C(=O)[C@@]23CCC[C@@H]2[C@]13N1CCOCC1 102917055 DZCNKGIVGMQFQD-QGTPRVQTSA-N 311.385 1.882 0 40 DDAB NC(=O)C1=CNN2C(c3cccc(C(F)(F)F)c3)=CCN=C12 100448719 UUKMJUDIKVGGBQ-UHFFFAOYSA-N 308.263 1.648 0 40 DDAB COCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C[C@@H]1C(=O)O 107779471 NCJZDXJPCXCTGA-LSDHHAIUSA-N 320.389 1.209 0 40 DDAB O=C(NCc1coc(-c2cccs2)n1)c1cccc[n+]1[O-] 45031143 HKCABXCQRKHRQA-UHFFFAOYSA-N 301.327 1.967 0 40 DDAB CCOc1cc(N2CCN(C(=O)c3ccoc3)CC2)ncn1 97163538 ZXKLBQIYNAPCHE-UHFFFAOYSA-N 302.334 1.431 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)c1cnccn1)c1cccc(F)c1 29081313 ULSVZJUZKXCZHG-AWEZNQCLSA-N 311.320 1.869 0 40 DDAB CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 20347361 NXJMPLSHDSOLII-IOASZLSFSA-N 307.390 1.738 0 40 DDAB CC(C)Oc1cncc(N2CCN(C3CCOCC3)CC2)n1 97163602 ZJFMUVMAWGLASU-UHFFFAOYSA-N 306.410 1.565 0 40 DDAB COC(=O)c1ccc(CCn2c(=O)[nH]c3ccccc3c2=O)cc1 29874349 HPHSGSPRXFLDGI-UHFFFAOYSA-N 324.336 1.719 0 40 DDAB CCn1c(N)nnc1SCC(=O)N1CCc2ccccc21 28047542 QFHKAGNRGNIXBY-UHFFFAOYSA-N 303.391 1.562 0 40 DDAB CCCCCNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 3771995 FVVZQUVVZUDWMG-UHFFFAOYSA-N 303.362 1.386 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 38554595 TXSKMQSGYFJESO-JTQLQIEISA-N 311.332 1.456 0 40 DDAB Cc1ccc(N2CCC(C(=O)NCCn3ccnc3)CC2)nc1 65411576 IKEVVPHIIXZYAC-UHFFFAOYSA-N 313.405 1.619 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc2c(c1)OCCO2 65402411 NWFBCZAFINBZKW-UHFFFAOYSA-N 314.345 1.268 0 40 DDAB Cn1cc([C@@H]2OCC[C@H]2CNCc2cnn3ccccc23)cn1 84317582 PUYWGYLSRKAHRT-SUMWQHHRSA-N 311.389 1.935 0 40 DDAB COCCn1c(S[C@@H](C)C(N)=O)nnc1-c1cccc(C)c1 4580574 FIHXNDGLXKCYIU-NSHDSACASA-N 320.418 1.866 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cnc2ccccc2n1 6589142 LEIAXTWAXPJXFG-UHFFFAOYSA-N 304.313 1.603 0 40 DDAB COc1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cn1 72402398 DWXUTDRBJWEHQB-UHFFFAOYSA-N 302.338 1.375 0 40 DDAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(C)nn21 4731503 OPMHDMCSDUKEBE-LLVKDONJSA-N 315.333 1.507 0 40 DDAB COc1ccc(OC)c2[nH]c(C(=O)NCCCC(=O)O)cc12 6759919 ZEAWGONZMIVBQB-UHFFFAOYSA-N 306.318 1.780 0 40 DDAB CCc1nc([C@H](C)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 97374454 CPYIZSGMLOLFAD-UTUOFQBUSA-N 311.451 1.992 0 40 DDAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 4825666 IWTQPRWKWZGMQY-UHFFFAOYSA-N 310.309 1.896 0 40 DDAB CN(CC(=O)NC(=O)NCc1ccco1)Cc1cccc(F)c1 6911759 YBGKAWVDQVXWOE-UHFFFAOYSA-N 319.336 1.877 0 40 DDAB O=C(Cn1cnc(NC(=O)C2CCC2)n1)NCc1ccccc1 95393873 XCVTTXOVKIGSEH-UHFFFAOYSA-N 313.361 1.333 0 40 DDAB CC(C)OCCN1CCC(NC(=O)c2ccnc(F)c2)CC1 81997455 IICIWDVXEKKHQJ-UHFFFAOYSA-N 309.385 1.840 0 40 DDAB CCCN1CCC(CNC(=O)CNC(=O)CC(C)(C)C)CC1 69558259 NBWKBORHXHTJMW-UHFFFAOYSA-N 311.470 1.777 0 40 DDAB Cc1cnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)cn1 69625471 WBYBAKBZQADBBR-SFHVURJKSA-N 312.417 1.636 0 40 DDAB COC(=O)[C@](C)(NC(=O)c1cnccn1)c1cc(F)ccc1F 69670346 ONKBLBAULXFZCV-OAHLLOKOSA-N 321.283 1.573 0 40 DDAB Cc1cc(NC(=O)[C@H](C)NC(N)=O)ccc1N1CCSCC1 71851697 VISYODHFBRGEBV-NSHDSACASA-N 322.434 1.544 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71865999 NCKDFDLPTUEFEI-CYBMUJFWSA-N 313.423 1.007 0 40 DDAB C/C(=C\C(=O)N1CCN(CCC(=O)NC2CC2)CC1)C(C)(C)C 95403560 SXEDTLPHHQTIRJ-BUHFOSPRSA-N 321.465 1.792 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1cccnc1-n1cccn1 84026682 HUSSEDPSDBFURM-UHFFFAOYSA-N 319.346 1.673 0 40 DDAB C[C@@H]1CN(CC2CCN(Cc3cn(C)nn3)CC2)C[C@@H](C)O1 95445418 RNHWHVJEMWHHKJ-ZIAGYGMSSA-N 307.442 1.136 0 40 DDAB CN(C)c1ncncc1NC(=O)c1ccc(Br)cn1 97019755 PWXWJKZHPJHQOS-UHFFFAOYSA-N 322.166 1.952 0 40 DDAB O=C(OCCn1cncn1)c1ccn(-c2ccc(Cl)cc2)n1 95441498 QUCHKRULPPSWJK-UHFFFAOYSA-N 317.736 1.974 0 40 DDAB Cc1cc(CNC(=O)NCCCN2CCOCC2)cc(C)c1F 88478477 LBDOKPHJAPFFSJ-UHFFFAOYSA-N 323.412 1.964 0 40 DDAB O=S(=O)(N[C@H]1CCN(CC2CC2)C1)N1CCCCCC1 95953674 BKODGQCEAAGHSZ-AWEZNQCLSA-N 301.456 1.181 0 40 DDAB Cc1cc(CC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)n[nH]1 89599110 KHHAARXBNYAIRU-CQSZACIVSA-N 320.437 1.410 0 40 DDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCNC(=O)CC1 75125612 QNBFPSJEQSPJND-UHFFFAOYSA-N 303.337 1.506 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 110599728 MVXJRKFFFVTDAP-GOEBONIOSA-N 322.380 1.635 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c1 34916269 GMJOXNUWXVWJCD-ZFWWWQNUSA-N 302.374 1.643 0 40 DDAB CCC(NC(=O)Nn1cnnc1)(C(F)(F)F)C(F)(F)F 2282396 XZDJLQPOYUSHRN-UHFFFAOYSA-N 305.182 1.805 0 40 DDAB biogenic C[C@@H](Cn1cncn1)NC(=O)NCCSc1ccccc1F 79098649 SQDFVOXJHBKDAY-NSHDSACASA-N 323.397 1.897 0 40 DDAB C[C@](O)(CNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 75155870 IIXLCZVVHZWTJX-BBRMVZONSA-N 319.382 1.912 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)CC(=O)NC(C)C)c1C 39440858 KOMBEMULRUQASU-GFCCVEGCSA-N 321.421 1.862 0 40 DDAB O=C(C1CCOCC1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 72393879 VWKVCWKHQORTJA-LBPRGKRZSA-N 315.377 1.486 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C 70896316 UPXQHISHPJTKIA-LLVKDONJSA-N 315.373 1.594 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC(Oc2cnccn2)CC1 72368784 YOIUXDGMJOVGSO-UHFFFAOYSA-N 320.374 1.104 0 40 DDAB CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CCCSC1 575054330 MCKZHXDEQJEYDN-MNOVXSKESA-N 303.449 1.637 0 40 DDAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1ccncc1 225748994 ZLGXJXORIIHNJA-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB CC(C)Oc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1 42646769 PJVYTUJOOYUKMM-UHFFFAOYSA-N 307.394 1.480 0 40 DDAB NS(=O)(=O)Cc1ccc(-c2nc(-c3ccncc3)no2)cc1 193723318 NYGFSVYQAVJGNU-UHFFFAOYSA-N 316.342 1.587 0 40 DDAB O=C1CNC(=O)N1CCN[C@H]1CCC[C@@H]1Cc1ccccc1 136300535 KPRXPFNQNHGYDK-CABCVRRESA-N 301.390 1.539 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1c1nc(C(F)(F)F)cs1 225632789 KFLNGZPLDZTEGU-RQJHMYQMSA-N 310.297 1.929 0 40 DDAB CNS(=O)(=O)[C@@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 195558474 YDPZPRYUPWDPJF-SWLSCSKDSA-N 314.426 1.770 0 40 DDAB COC[C@H]1CC2(CCN(C(N)=O)CC2)CN1Cc1nccs1 96240352 KQEKRSSWZLOKBA-GFCCVEGCSA-N 324.450 1.525 0 40 DDAB CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncccn1)CC2 96219779 QQTHNSCGKPYPAL-CQSZACIVSA-N 318.421 1.624 0 40 DDAB CCN(CC)C[C@@H]1CN(C(=O)c2ccc[nH]2)Cc2nccn2C1 96188291 CAKVBKVDBIUWSM-AWEZNQCLSA-N 315.421 1.825 0 40 DDAB CN(C)C(=O)CN1CCC2(CCCN(c3ncccn3)C2)CC1 96063038 SNVMYHLIWPBXKY-UHFFFAOYSA-N 317.437 1.247 0 40 DDAB Cc1nc(CN2CCC3(CC2)C(=O)N(C)CCN3C)cs1 96230019 GYLXSGXUVNJCAM-UHFFFAOYSA-N 308.451 1.190 0 40 DDAB CN1CCCN(C(=O)[C@H]2COCCO2)c2cc(Cl)ccc21 96425530 GMNZAFBCMYBZQU-CQSZACIVSA-N 310.781 1.928 0 40 DDAB C[C@H](CNS(C)(=O)=O)Oc1ccccc1Br 96452758 NEQSPAVLCOQJLG-MRVPVSSYSA-N 308.197 1.766 0 40 DDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccncn4)CC[C@@H]3O2)n1 96070550 VNAMZXHPNMWELT-WCFLWFBJSA-N 315.333 1.160 0 40 DDAB O=C(NCCc1ccncc1)c1nc2c(o1)CN(CC1CC1)C2 96088065 SGOGRDZAAFDZOP-UHFFFAOYSA-N 312.373 1.768 0 40 DDAB Cn1cc(CN2CC[C@@]3(C[C@@H](N4CCCC4=O)CCO3)C2)cn1 96209548 GTEZNGDMHNFYMJ-DOTOQJQBSA-N 318.421 1.166 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nncs1 95472589 MGDOHFSOALBGQT-VIFPVBQESA-N 317.330 1.267 0 40 DDAB CC(C)CNC(=O)CNC(=O)N[C@@H](c1nccs1)C1CC1 96439627 JWHXCCKIPHKMOE-GFCCVEGCSA-N 310.423 1.666 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)NC[C@](C)(O)c1cnn(C)c1 96450409 KYBJSRYUOVDOBA-KRWDZBQOSA-N 312.373 1.847 0 40 DDAB CNc1cc(C(=O)NC2CCS(=O)(=O)CC2)cc(Cl)n1 50756356 MNTKTHVQMBXPNH-UHFFFAOYSA-N 317.798 1.084 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(c3ccncn3)C[C@H]2O1)N1CCCC1 96066089 SBQRVKSGEJRNIP-BFHYXJOUSA-N 302.378 1.083 0 40 DDAB CCOCc1cnc2n1CCN(C(=O)Cc1ccccn1)[C@H]2C 96109667 LVCQVCFETCWMGT-ZDUSSCGKSA-N 314.389 1.961 0 40 DDAB COC[C@H]1CN(C(C)=O)CC12CCN(c1ncc(F)cn1)CC2 247953565 RVCNVKZLCAXFSC-CYBMUJFWSA-N 322.384 1.327 0 40 DDAB COC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 247910923 YJUCTKHIRSLBMT-GFCCVEGCSA-N 302.334 1.592 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cc(C)on3)CC[C@H]21 257226834 FMJSIKYVDGNKDJ-GOEBONIOSA-N 321.421 1.832 0 40 DDAB O=C1C[C@H](Sc2nnc[nH]2)C(=O)N1c1ccc(Cl)cc1 256055650 ONYXOLPFWODZLV-VIFPVBQESA-N 308.750 1.882 0 40 DDAB O=C(NC[C@H]1OCCc2sccc21)N[C@@H]1C[C@H]2CC[C@H]1O2 252485846 BAJZCCMFTQRFRA-OJAKKHQRSA-N 308.403 1.981 0 40 DDAB Cc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)o1 69652477 YQVASMKNTPPVQX-UHFFFAOYSA-N 302.378 1.670 0 40 DDAB CCOC(=O)Nn1nnc2c(OC)cc(Cl)c(C)c2c1=O 255189844 SMNYNUGFYMTDIP-UHFFFAOYSA-N 312.713 1.462 0 40 DDAB CN1C(=O)CCC[C@@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 257264951 LWQPDIZAIRRLEP-HZPDHXFCSA-N 315.417 1.874 0 40 DDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(Cc2noc(C)n2)C1 257322023 WEHONRUAQWVXID-HNNXBMFYSA-N 318.381 1.014 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257287509 PQGSAQSNPBTJBM-ZDUSSCGKSA-N 314.389 1.447 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)s1 257263549 LQLLMWFLXAOYJE-GFCCVEGCSA-N 320.418 1.934 0 40 DDAB C[C@H](C[C@H]1COCCN1)Nc1cccc(N2CCCC2=O)c1 262348584 VAWZQRCOMPPLID-HIFRSBDPSA-N 303.406 1.992 0 40 DDAB N[C@H](C(=O)Nc1ccc(-c2ncon2)cc1)C1CCOCC1 261755986 LKLPWJTVRYRDFU-ZDUSSCGKSA-N 302.334 1.429 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ocnc2C)C1 585277200 KZMKFDJLZOGALZ-HNNXBMFYSA-N 309.366 1.130 0 40 DDAB Cn1cnc2c1C[C@H](CO)N(C(=O)c1ccnc3ccccc13)C2 585094931 VADVQCXNLPQVGT-GFCCVEGCSA-N 322.368 1.528 0 40 DDAB OCC[C@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 69977707 UVWHUAYBJIAMKZ-GDBMZVCRSA-N 311.397 1.798 0 40 DDAB CN1N=C(C(=O)NCCN2CCCc3ccccc32)CCC1=O 58264267 GYQKWBMPBIMQHE-UHFFFAOYSA-N 314.389 1.164 0 40 DDAB O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCOCC1 54994007 HYGRTQFGORGZEI-OAHLLOKOSA-N 306.381 1.897 0 40 DDAB NC(=O)[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1 56182677 BWDHCFPPZUSWJR-GOSISDBHSA-N 324.428 1.862 0 40 DDAB Cc1[nH]cnc1CNC(=O)Cn1cccc(C(F)(F)F)c1=O 76094655 IWLVGUVQLYVSGR-UHFFFAOYSA-N 314.267 1.215 0 40 DDAB C[C@H](NC(=O)COCC(F)(F)F)c1nnc2n1CCCCC2 89913887 SCFRAIDYFAIJMT-VIFPVBQESA-N 320.315 1.761 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@@H](c2cnn(C)c2)C1 681292244 XCURLNFPRPQFHL-GFCCVEGCSA-N 300.362 1.844 0 40 DDAB Cc1c(NC(=O)/C=C/C(=O)O)c(=O)n(-c2ccccc2)n1C 61926 OOPQDRYQEAEXEW-CMDGGOBGSA-N 301.302 1.064 0 40 DDAB COc1cccc(N2Cc3nn(CC(C)C)c(=O)n3C2=O)c1 1547201018 IEXAQDIBDCSCNH-UHFFFAOYSA-N 302.334 1.698 0 40 DDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NC[C@H]1COc2ccccc2O1 5604791 KQASILUCSRZYAD-XQQFMLRXSA-N 319.357 1.834 0 40 DDAB COC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)c1cccs1 15676575 ZGVOUAYLMMCBIL-JTQLQIEISA-N 305.359 1.222 0 40 DDAB biogenic,in-vitro CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)no1 17031687 DBAAUTFTBPGWEZ-VVJJBPBLSA-N 308.334 1.789 0 40 DDAB Cn1c(=O)c2nc(CSc3ccccc3)[nH]c2n(C)c1=O 17379749 DDBABZMVWSULJV-UHFFFAOYSA-N 302.359 1.253 0 40 DDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(C)=O)nc(O)c2C1 19018044 CRAKLGRRCCXFRE-AWEZNQCLSA-N 318.377 1.160 0 40 DDAB Cc1ccc(-c2nnc(C3CCN(CC(N)=O)CC3)o2)s1 19217811 MAKYOZWIBLDCSL-UHFFFAOYSA-N 306.391 1.771 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 643914120 LICBJSICELBRLJ-OWCLPIDISA-N 312.421 1.557 0 40 DDAB COCCNC(=O)CSc1ccc(-n2nc(C)cc2C)nn1 11069813 LRQFMPYYYTWGPO-UHFFFAOYSA-N 321.406 1.134 0 40 DDAB CCCNC(=O)CNC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 11240803 RRMQUFZYFCSGPL-UHFFFAOYSA-N 309.366 1.064 0 40 DDAB COc1ccc(CNC(=O)COC(=O)c2cccn2C)cc1 5205514 PSEAPCQDPGRIRE-UHFFFAOYSA-N 302.330 1.507 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)Nc1nc2ccccc2[nH]1 5263138 RJCYSFJGXUKQHU-UHFFFAOYSA-N 308.341 1.860 0 40 DDAB O=C(COc1ccc(F)cc1)N[C@@H]1CCN(C2CCOCC2)C1 1888843577 BSORTTJBHLUGMI-CQSZACIVSA-N 322.380 1.574 0 40 DDAB O=C(CN1CCN(Cc2nc3ccccc3o2)CC1)NC1CC1 22799490 NPFWPCANNVYSAC-UHFFFAOYSA-N 314.389 1.224 0 40 DDAB O=C(CCN1CCC2(CC1)OCCO2)Nc1ccccc1F 32825300 BXDHZYKKDNMCIV-UHFFFAOYSA-N 308.353 1.993 0 40 DDAB O=S(=O)(N1CCCC1)N1CCC(Oc2ccncc2)CC1 252496567 PLOYSDHOXUZQJX-UHFFFAOYSA-N 311.407 1.265 0 40 DDAB O=C(C1CC(O)C1)N1CCc2ncnc(-c3cccnc3)c2CC1 1565542235 KMJWGXAKITVJRZ-UHFFFAOYSA-N 324.384 1.237 0 40 DDAB COCCN1CCO[C@H]2CN(C(=O)C3CCC(C)CC3)C[C@H]21 1565545068 CXWRDTFCIYDVSL-FJBKBRRZSA-N 310.438 1.371 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@@H]2C1 1565546035 UPFGPVQWTQLFRV-DGCLKSJQSA-N 309.797 1.528 0 40 DDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1ccccc1 37309 NVJAHKFPABGDEW-AWEZNQCLSA-N 304.346 1.582 0 40 DDAB Cn1nc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1=O 12169691 DLWYLKFDNGNOJK-UHFFFAOYSA-N 311.385 1.875 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055718032 WUDDXDDOGUTTSP-GFCCVEGCSA-N 318.421 1.643 0 40 DDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C(C)C)C1 2055750739 VBECOOUDKNAUEW-MRXNPFEDSA-N 307.369 1.611 0 40 DDAB O=S(=O)(NCCn1ccn2nccc12)c1cccc(Cl)c1 206746132 BAMMVSKTOSYPTR-UHFFFAOYSA-N 324.793 1.768 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CC(CN2C(=O)CCC2=O)C1 606440726 UYNXEYLLWAINIW-LBPRGKRZSA-N 316.357 1.061 0 40 DDAB CC1CCN(C2=NC(=O)[C@H](CC(=O)Nc3ccccc3)N2)CC1 20466894 AOVCRKJQTZWMLB-AWEZNQCLSA-N 314.389 1.602 0 40 DDAB Cn1c(S)nc(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21 20615586 GLZPYPDWWUQPKV-UHFFFAOYSA-N 313.338 1.982 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 101401482 AEXCVMWOYLTYLC-HUUCEWRRSA-N 316.401 1.977 0 40 DDAB CO[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 20866823 GOHDMVQCBHCDQZ-AAEUAGOBSA-N 307.346 1.820 0 40 DDAB C[C@H]1C[C@@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 32387929 JGABLNNGHLAHLJ-WCQYABFASA-N 308.403 1.612 0 40 DDAB O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccccc1F 32645822 JOSSZLIRRACLAB-UHFFFAOYSA-N 323.349 1.528 0 40 DDAB O=C(CCn1nc(-c2cccs2)oc1=O)NC[C@@H]1CCOC1 41371726 ZCTYJZPIEWVGKO-JTQLQIEISA-N 323.374 1.108 0 40 DDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 53202920 XHSOHWNKSUQZRA-SNVBAGLBSA-N 306.790 1.852 0 40 DDAB NC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 53231305 QFMPHJWCHOYBQZ-CQSZACIVSA-N 323.368 1.392 0 40 DDAB COCCN1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 19368174 HOCWQVICJKRZOH-ZDUSSCGKSA-N 311.451 1.017 0 40 DDAB c1cnnc(NC[C@H]2CN(CCN3CCCCC3)CCO2)c1 78893750 NWHVTTIBRPZNNK-HNNXBMFYSA-N 305.426 1.075 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)N(CC)CC)C1 78822493 OYIXXHCZBVSCPD-HUUCEWRRSA-N 311.470 1.872 0 40 DDAB Cc1csc(C(C)(C)NCC(=O)N2CCC[C@H](C(N)=O)C2)n1 78950108 DNIZRBLCEVCWAF-NSHDSACASA-N 324.450 1.000 0 40 DDAB COc1cccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1 4299166 YWXAADJDDXPSLZ-NWDGAFQWSA-N 311.334 1.707 0 40 DDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 4558712 ZDBRTAFMDQLABA-AWEZNQCLSA-N 324.446 1.922 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4990384 JZKAEUGBDSBGSH-RFGFWPKPSA-N 303.314 1.678 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 6321666 FCSICJGCXVHFGH-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB COc1cccc(-c2noc(CSc3nnnn3C)n2)c1 6643459 CNHRKYALPNOQQV-UHFFFAOYSA-N 304.335 1.561 0 40 DDAB COC(=O)c1sc2nc(-c3cnn(C)c3)[nH]c(=O)c2c1C 54753702 ULGHHUQEIADJDS-UHFFFAOYSA-N 304.331 1.480 0 40 DDAB CS[C@@H](C)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 42855815 IVPOMTPNZKZGRH-QWHCGFSZSA-N 312.435 1.829 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2ccnc(-n3ccnc3)c2)cn1 72255026 RZHNXCCDEQIKNQ-OAHLLOKOSA-N 322.372 1.978 0 40 DDAB NC(=O)c1ccccc1OCCCN1C(=O)c2ccccc2C1=O 24699850 RGKXTNGPEHZLLG-UHFFFAOYSA-N 324.336 1.851 0 40 DDAB Cc1noc(C)c1COC(=O)Cn1cnc2sccc2c1=O 24721106 YDMSJVLXRFQYBK-UHFFFAOYSA-N 319.342 1.806 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCCCCCC1 97574875 BGODULPBJPVYHH-OKILXGFUSA-N 304.390 1.730 0 40 DDAB CO[C@H](C)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 55362483 SSKPRRWNCDGKDY-CQSZACIVSA-N 318.417 1.761 0 40 DDAB O=C(C1CCOCC1)N1CCC2(CC(Nc3ncccn3)C2)C1 108535714 QHDDQBLVGHMWAD-UHFFFAOYSA-N 316.405 1.696 0 40 DDAB CC[C@@H](CO)NC[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 27666055 FSGYTNOMFYRJPS-PVGHXWSTSA-N 311.466 1.941 0 40 DDAB CC(C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617259 UWBDPRKPWBIIAO-UHFFFAOYSA-N 320.418 1.056 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2c(C)noc2C)C1 108184025 DRYIDVJYLYJBMD-BXUZGUMPSA-N 309.410 1.655 0 40 DDAB CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCCc2ccccc21 44250812 MFUCBJXFQZKFFQ-QWHCGFSZSA-N 301.346 1.121 0 40 DDAB CCCCO[C@@H](C)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 72288613 IGDLKGDZHCOBMM-AAEUAGOBSA-N 311.403 1.836 0 40 DDAB CCN1CCO[C@H](CNCc2c[nH]nc2-c2cccs2)C1 72268795 PGHRIZUTINIBTF-CYBMUJFWSA-N 306.435 1.949 0 40 DDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC(C(=O)O)CC1)OC2=O 101430411 MMJKXLMXSQEHQX-HZPDHXFCSA-N 309.362 1.432 0 40 DDAB C[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)CO1 27646108 QOGLPJMUQBZJKT-QWRGUYRKSA-N 307.781 1.957 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23CC[C@H]1O3 100766532 RINWWBKRWIXXRN-OEUWWYETSA-N 301.342 1.320 0 40 DDAB O=C(C[C@@H]1CCCO1)NCc1ccccc1Cn1cncn1 44939447 MVGHGNQVVYRMQF-HNNXBMFYSA-N 300.362 1.512 0 40 DDAB CC1(C)COCCN1C(=O)CCN1C(=O)c2ccccc2C1=O 36102048 DWBAZFFBIMTTDM-UHFFFAOYSA-N 316.357 1.310 0 40 DDAB C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)[C@@H]1CCCO1 27887622 LWOUSTPLISEQKI-PWSUYJOCSA-N 321.402 1.532 0 40 DDAB CCn1nnnc1SCCC(=O)NCCc1ccccc1 58341186 BWAKVWMGWXUYIP-UHFFFAOYSA-N 305.407 1.534 0 40 DDAB CCNC(=S)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 54254360 RUUHSEMACQVEPF-UHFFFAOYSA-N 320.462 1.446 0 40 DDAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107263494 JZRSEHRSNNFTAO-ARFHVFGLSA-N 303.406 1.443 0 40 DDAB CCCC[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100615144 MUPJFAKFYZNFES-AESLDDEASA-N 303.358 1.683 0 40 DDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1ccc[nH]1 10950515 VKAXSVBOLXXGML-BMIGLBTASA-N 301.298 1.969 0 40 DDAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C3CC3)nc21 12896088 UEPTUOSDEZPFLU-UHFFFAOYSA-N 303.318 1.316 0 40 DDAB in-vitro Cc1n[nH]c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 11657820 WIGCOKBFBGCEGE-UHFFFAOYSA-N 304.331 1.419 0 40 DDAB CCN1C[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 46161887 YLTXHVZFCACWAK-DGCLKSJQSA-N 318.373 1.503 0 40 DDAB Cc1cc(NC(=O)NC[C@H](O)COc2cccc(F)c2)no1 46498912 QMFRTDXQCSDUTA-NSHDSACASA-N 309.297 1.684 0 40 DDAB c1ccc(-n2nnnc2SCc2cn3ccncc3n2)cc1 27029930 BXMNLRWDGXQAEJ-UHFFFAOYSA-N 309.358 1.997 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)NCc2ccccc2)C[C@H](C)O1 12981886 GJRNDXMGYPMHFU-STQMWFEESA-N 305.378 1.122 0 40 DDAB CCc1cc(C)nc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 96011570 IFZOAFFIZBJROY-LBPRGKRZSA-N 316.409 1.922 0 40 DDAB COCC[C@@H](C)S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 96013539 KPDNJBSURCOOJN-SNVBAGLBSA-N 310.379 1.638 0 40 DDAB CC(=O)N1CCCN(C(=O)Nc2nnc(C3CC3)s2)CC1 65417282 SGBVFEVFRYWHJX-UHFFFAOYSA-N 309.395 1.502 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 65463641 RQXPTMUEPIPCLQ-GFCCVEGCSA-N 319.336 1.505 0 40 DDAB CCCCN(CCCC)S(=O)(=O)N[C@@H](C)Cn1cncn1 65550525 YXUOOEYJXBPGKK-ZDUSSCGKSA-N 317.459 1.403 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1F 6508364 OBSVWLGOKRTZTG-UHFFFAOYSA-N 311.316 1.852 0 40 DDAB C[C@H](OC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)C(N)=O 5912012 DEQNJCAJBZPIEM-NSHDSACASA-N 320.389 1.521 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C)CCOc1ccccc1 7215183 NNHPQWYEAMMCAF-UHFFFAOYSA-N 310.375 1.991 0 40 DDAB C[C@](O)(CNC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)O 90276421 JXGIBUYJKRACPQ-LBPRGKRZSA-N 305.252 1.200 0 40 DDAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC[C@@H](O)C1 97136118 PBRUJRVONZVWIZ-VXGBXAGGSA-N 302.296 1.936 0 40 DDAB CNC(=O)CN(C)c1ncnc2sc3c(c12)CC[C@H](C)C3 7467548 WKAOKNOOLNYUGB-VIFPVBQESA-N 304.419 1.998 0 40 DDAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)cc1F 7866121 BTHMDJOYFWQJML-ZETCQYMHSA-N 322.369 1.603 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(COC)cc2)C1 97051838 DAVFPSWGVFERBZ-OAHLLOKOSA-N 312.435 1.347 0 40 DDAB COCCN(C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 71855030 IRQFVXBSNRJMSM-UHFFFAOYSA-N 320.353 1.089 0 40 DDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(=O)[nH]c1 71834918 OJIXTZNMYHYBMA-LBPRGKRZSA-N 323.356 1.789 0 40 DDAB CNc1snc(C)c1C(=O)N1CCN(c2ncccn2)CC1 16970199 ONTBUTBALHOSIE-UHFFFAOYSA-N 318.406 1.246 0 40 DDAB CN1CCN(CCCNC(=O)c2cccc3ncccc23)CC1 69351727 DSECSFHOEGTSCU-UHFFFAOYSA-N 312.417 1.602 0 40 DDAB CCOC(=O)c1cccc(N(CC)C(=O)CNC(=O)C2CC2)c1 69379765 IAORNGAEYHPVHR-UHFFFAOYSA-N 318.373 1.742 0 40 DDAB O=c1c2ccncc2ncn1C[C@@H](O)COCc1ccccc1 97080179 QSSMCUKASVEWEB-CQSZACIVSA-N 311.341 1.369 0 40 DDAB NS(=O)(=O)c1cnc(N2CCC[C@H](C(F)(F)F)C2)s1 69462878 SZVBLRXPRJDEIS-LURJTMIESA-N 315.342 1.569 0 40 DDAB C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1nncn1C 69484249 OARFBDUFWOPVNF-SSDOTTSWSA-N 318.761 1.647 0 40 DDAB CON(C)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 69454408 IODOQORIIUBHIW-UHFFFAOYSA-N 301.228 1.315 0 40 DDAB COCCNC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 69569453 OLYIRDPXYNAKDB-UHFFFAOYSA-N 323.368 1.832 0 40 DDAB CCc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)[nH]n1 71915899 MVGCOPBHRSGZQC-UHFFFAOYSA-N 300.297 1.944 0 40 DDAB O=C(CC[C@@H]1CCCO1)N1CCCN(c2cccnn2)CC1 69816109 NBOSRQPQSLGUED-AWEZNQCLSA-N 304.394 1.475 0 40 DDAB COc1ccnc(N2CCN(c3ccccc3OC)CC2)n1 8746771 HVROGFWXLNZRCX-UHFFFAOYSA-N 300.362 1.820 0 40 DDAB O=C(Cn1cccn1)N1CCN(c2ccccc2Cl)CC1 8720634 WAOYXUQFHUWOLT-UHFFFAOYSA-N 304.781 1.885 0 40 DDAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)cc1F 95432110 UKEIQJWVNXHFIY-HQJQHLMTSA-N 308.325 1.510 0 40 DDAB C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCC(=O)N(C)C1 95968252 ZYBBHLWTSJEMRL-MWLCHTKSSA-N 315.215 1.245 0 40 DDAB O=C(c1ccco1)N1C[C@H]2c3ccccc3S(=O)(=O)[C@H]2C1 306128528 HCYCWUAUURNCQN-FZMZJTMJSA-N 303.339 1.675 0 40 DDAB CN(C)CCn1cc(NC(=O)N2CCC[C@H]2C(C)(C)O)cn1 95994343 DBQOMPJGSSOTPT-ZDUSSCGKSA-N 309.414 1.212 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cnc(C)s3)CCO2)n1 89289796 PTJGJWJSSJSFJQ-VIFPVBQESA-N 307.379 1.346 0 40 DDAB CC(C)CO[C@H](C)c1noc(CN(C)[C@@H]2CCN(C)C2=O)n1 74991265 WRHSHAXVSNSMKS-VXGBXAGGSA-N 310.398 1.466 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 75118889 BBCBAJFQJPDGLJ-LBPRGKRZSA-N 323.356 1.755 0 40 DDAB CN(CCC(=O)N1CCOCC1)Cc1nc2ccccc2n1C 89749685 RDFLQDMMVGDYOX-UHFFFAOYSA-N 316.405 1.254 0 40 DDAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCNCC2 306125113 CHQLZSFBOZMAAB-UHFFFAOYSA-N 300.410 1.198 0 40 DDAB COC(C)(C)CNC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 125094463 HTNQHFHGPSPRMR-AWEZNQCLSA-N 320.437 1.895 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1 32739435 CSDBLLACMPNDLL-IUODEOHRSA-N 324.446 1.904 0 40 DDAB Cn1cc(CN2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cn1 306129630 IIOCTURXICWQCJ-JKSUJKDBSA-N 320.400 1.908 0 40 DDAB CCCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)cn1 38509658 MXJJBSGSOSGERT-UHFFFAOYSA-N 303.337 1.651 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NCC2CCCC2)[C@H]1c1ccccc1 72237907 XRVUKBHLGMTVRV-IAGOWNOFSA-N 316.401 1.891 0 40 DDAB Cc1cc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n2ncnc2n1 76832143 GSKGKDYDHWCRBY-CYBMUJFWSA-N 314.393 1.175 0 40 DDAB CN(CC(=O)Nc1nncs1)Cc1cccc(N(C)C)c1 89921914 BYCGVFIWJLSCME-UHFFFAOYSA-N 305.407 1.675 0 40 DDAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(F)c(Cl)c2)n1 225966446 CTIZGQGOAQXDKH-UHFFFAOYSA-N 310.668 1.926 0 40 DDAB CC(=O)NC(C)(C)c1noc(-c2cccc3nc(O)[nH]c23)n1 571105426 FGNPCFIXURFJLM-UHFFFAOYSA-N 301.306 1.690 0 40 DDAB COc1cccc2c1CC[C@]2(N)C(=O)N(C)Cc1cnn(C)c1 1579288497 RDYIWFISEHDTOC-QGZVFWFLSA-N 314.389 1.188 0 40 DDAB C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1ccc2cc[nH]c2c1 194009215 ACRJSZSXUDYHHX-QWHCGFSZSA-N 301.390 1.695 0 40 DDAB Cc1cnc(CNS(=O)(=O)c2cccc3nsnc23)o1 80631889 OWALBCVNMHXRSN-UHFFFAOYSA-N 310.360 1.466 0 40 DDAB CC[C@@]1(C)CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCO1 195574857 SWUHKGNYPYAVBJ-YPMHNXCESA-N 323.359 1.834 0 40 DDAB Cn1ccnc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 96455646 IZJOWOPSXXXJML-LBPRGKRZSA-N 318.764 1.609 0 40 DDAB CO[C@@H](C)c1noc(CN2CCCN(Cc3ccon3)CC2)n1 96455928 JCXXEEHARKEORL-LBPRGKRZSA-N 321.381 1.473 0 40 DDAB O=C(NCC(F)F)c1ccc(CN2CCC(CO)CC2)cc1 95450556 ZCWRHRJJVONFEW-UHFFFAOYSA-N 312.360 1.886 0 40 DDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1cccc(OC)c1)C2 96216313 WOFUINHXQAEQMD-MAUKXSAKSA-N 318.417 1.736 0 40 DDAB CC(=O)NCCCNS(=O)(=O)c1ccccc1C(C)(C)C 96427677 NURDRIQRURVHRM-UHFFFAOYSA-N 312.435 1.789 0 40 DDAB CCS(=O)(=O)N1CCC2(CN(Cc3ccccc3C)C2)C1 96070724 MEOJNYXMTKQSNV-UHFFFAOYSA-N 308.447 1.852 0 40 DDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)C1CC1 96044432 KBJCAAIZRKERFH-HNNXBMFYSA-N 319.405 1.450 0 40 DDAB c1cc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)n[nH]1 96076323 WKDLXFJEUNPKNW-QGZVFWFLSA-N 304.438 1.734 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C1CCOCC1 96201288 MZLDPDORXRBAMB-GFCCVEGCSA-N 302.382 1.079 0 40 DDAB CC(C)NC(=O)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96202165 LFPRXFQQHDJPNV-KRWDZBQOSA-N 321.421 1.922 0 40 DDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)cn1 96207899 GHELQGXOKTWKLN-IAGOWNOFSA-N 305.422 1.685 0 40 DDAB CCc1oc2ccccc2c1CC(=O)NCCc1nnc(N)o1 529115283 UJPZTAYTFFDCOX-UHFFFAOYSA-N 314.345 1.862 0 40 DDAB O=C(NC[C@H]1CCC2(CN(CC3CC3)C2)OC1)c1ccncc1 247527591 ZZUNYRXBXJHWPG-OAHLLOKOSA-N 315.417 1.702 0 40 DDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O 257203372 APSFHLGMIGWZMF-HZPDHXFCSA-N 306.381 1.629 0 40 DDAB O=C1CO[C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]2N1 257242435 ICLWPWZHXCOTKQ-JKSUJKDBSA-N 314.385 1.295 0 40 DDAB Cn1cc(NC(=O)COc2ccc(-c3cnn(C)c3)cc2)cn1 252510195 ZDOJSQIFJGIASX-UHFFFAOYSA-N 311.345 1.838 0 40 DDAB CC(=O)N[C@@]1(C)C[C@@H]([C@@H]2CCCNC2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257213319 CHAZOMDODAIZCR-PNVOZDDCSA-N 322.449 1.365 0 40 DDAB COc1ccc(CC(=O)Nc2cnc(-n3ccnc3)nc2)cc1 85555490 GBUKGASOSBTVRP-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB Cc1cc(C(=O)NCCN2C(=O)c3cccnc3C2=O)c(C)o1 390830951 ONBCLFKTPKVZPB-UHFFFAOYSA-N 313.313 1.317 0 40 DDAB OC1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 585289274 HCXGJGVQFZPFES-GVDBMIGSSA-N 309.381 1.943 0 40 DDAB Cc1c(C)n(C)c2ccc(NC(=O)[C@@H]3CNCCN3C)cc12 585177438 ZBMYNTVEUYGPCE-INIZCTEOSA-N 300.406 1.637 0 40 DDAB O=C1C[C@@]2(CCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1 585101627 YVYWRYKWDROBBH-OAHLLOKOSA-N 318.352 1.324 0 40 DDAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc(F)cn1 585293210 SABYKLNPLYEMPA-BRWVUGGUSA-N 320.339 1.681 0 40 DDAB C[C@H]1CN(C(=O)Cn2cc(Nc3nccs3)cn2)C[C@H](C)O1 892673960 KHGWJCSYXOTCDN-QWRGUYRKSA-N 321.406 1.719 0 40 DDAB O=C(c1ccncc1F)N1CCC(COc2ncccn2)CC1 1775995738 GTHUJHIMEMJAGC-UHFFFAOYSA-N 316.336 1.942 0 40 DDAB CCS(=O)(=O)NCc1cc(OC)ccc1Br 48906360 TXDPVSDSJBUBAL-UHFFFAOYSA-N 308.197 1.897 0 40 DDAB Cc1noc(C)c1CCC(=O)NCCN1C[C@H](C)O[C@H](C)C1 40489253 HSSXHROCRWSFTO-TXEJJXNPSA-N 309.410 1.449 0 40 DDAB O=C1NCCCC[C@H]1SCc1nnnn1-c1ccccc1 78555643 KCZYUQCODJWJAR-GFCCVEGCSA-N 303.391 1.564 0 40 DDAB CO[C@@]1(CNC(=O)[C@H]2COc3ccccc3O2)CCSC1 96097586 YOKFWNZHJNXOSW-UKRRQHHQSA-N 309.387 1.465 0 40 DDAB O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1 2271857 CRVBVEUEMSZWCJ-SDNWHVSQSA-N 300.314 1.159 0 40 DDAB CCc1ccccc1NC(=O)CSc1nnc(CC)n1N 5555131 NMXXVCNUVCQCJO-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB CCc1nn(CC(=O)N2CCCC2)c(=O)c2cc3occc3n12 12115457 LTRFRBATZVICKN-UHFFFAOYSA-N 314.345 1.427 0 40 DDAB CCCNC(=O)[C@@H](C)n1nc(-c2ccc(C)o2)cc(N)c1=O 12182960 JBPPTKREOOGFSJ-SNVBAGLBSA-N 304.350 1.481 0 40 DDAB CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580412 URMWZZRTDXOTCL-UHFFFAOYSA-N 310.419 1.927 0 40 DDAB O=C(NCCC1CCCC1)C(=O)NCc1ccc2c(c1)OCO2 15013960 CUOPEBXXUKZYKI-UHFFFAOYSA-N 318.373 1.728 0 40 DDAB CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C)CC1 19446809 KGKHQYZEHIZGMH-CABCVRRESA-N 322.457 1.187 0 40 DDAB C[C@@H](OC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)C(N)=O 5912021 DEQNJCAJBZPIEM-LLVKDONJSA-N 320.389 1.521 0 40 DDAB C[C@]1(C(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)CC=CCC1 1565544271 CUFJRKBUAJLHRJ-IPYPFGDCSA-N 312.435 1.225 0 40 DDAB CCc1ccc(C(=O)N2Cc3cn(C)nc3[C@@H](COC)C2)cn1 1565549320 VEXFPSRXEOLMHL-CQSZACIVSA-N 314.389 1.764 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCc2cccs2)c1 10326595 PBNUIXDUAYCGLF-UHFFFAOYSA-N 304.371 1.689 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cccnc1SC 225631828 UVECPCHTSXWNLQ-MWLCHTKSSA-N 310.375 1.206 0 40 DDAB O=c1cc2c(nn1CC1CN(c3ccncc3Cl)C1)CCC2 585603635 DTKCMBUAARDQAH-UHFFFAOYSA-N 316.792 1.917 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc(C)cc1=O 36703755 RBTCAYDPKOVCEI-UHFFFAOYSA-N 315.329 1.367 0 40 DDAB CCNC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 72394736 PTBFCWLSNLEJOV-LBPRGKRZSA-N 307.394 1.227 0 40 DDAB COC[C@](C)(O)CNC(=O)c1cc(-c2ccc(F)cc2)nn1C 75170443 ZNZODZWYPASCKV-MRXNPFEDSA-N 321.352 1.353 0 40 DDAB COc1ccccc1OCCN[C@H](C(N)=O)c1ccccc1 30007803 CWWAZXBKXUEXCO-INIZCTEOSA-N 300.358 1.890 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)Cc1n[nH]c2ccccc12 50583028 ZADDLOBGFYBZPY-HNNXBMFYSA-N 312.373 1.375 0 40 DDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2ccsc2)CC1 40528258 GGYWRMYVQOEOCG-AWEZNQCLSA-N 321.446 1.609 0 40 DDAB O=c1c2ccccc2nnn1C[C@H](O)c1cc(F)ccc1F 51265751 UMSRFVAVAPJJBV-AWEZNQCLSA-N 303.268 1.803 0 40 DDAB Cc1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cn1 31937426 RXETUXMOSIGZNF-MRXNPFEDSA-N 321.446 1.328 0 40 DDAB CN(C)S(=O)(=O)N1CCC(Cc2ccc(F)cc2)CC1 40621901 QPGKTSRVSSFFOD-UHFFFAOYSA-N 300.399 1.887 0 40 DDAB C[C@@H]1C[C@@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 32387927 JGABLNNGHLAHLJ-DGCLKSJQSA-N 308.403 1.612 0 40 DDAB Cn1ncc2c(N3CCC[C@@H](C(=O)NCC4CC4)C3)ncnc21 52360021 VXEFOJDEBGGPDO-GFCCVEGCSA-N 314.393 1.106 0 40 DDAB NC(=O)C1(CNC(=O)C2(c3ccc(F)cc3)CC2)CCOCC1 52744313 PORJPYUZJMQMIW-UHFFFAOYSA-N 320.364 1.256 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1 487038 QMCHKXPSHHWGFX-LBPRGKRZSA-N 313.309 1.816 0 40 DDAB biogenic O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccccn1 102952640 UGHFKZNTZZDBNM-OKILXGFUSA-N 315.373 1.263 0 40 DDAB CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NC)ccc1O 83287 FCBPFSROBUOSAF-CYBMUJFWSA-N 321.402 1.330 0 40 DDAB O=C1CN(c2ccc3cc(Br)ccc3n2)CCN1 77165372 QRJKOXLTFUSDSM-UHFFFAOYSA-N 306.163 1.934 0 40 DDAB O=C(Cc1cn2ccsc2n1)NCc1ccc(C(=O)O)cc1 78355227 LGTSONHYWKRBKZ-UHFFFAOYSA-N 315.354 1.953 0 40 DDAB Cc1ccccc1C1(CNC(=O)N[C@@H]2CC(=O)N(C)C2)CC1 79023398 OHQXTMMDVVNIGO-CYBMUJFWSA-N 301.390 1.557 0 40 DDAB O=C1NC(=O)[C@@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1 1665215 ACFQAMIVTKFUQT-OALUTQOASA-N 320.348 1.940 0 40 DDAB O=C1CCN(C(=O)NCCCCOc2ccc(F)cc2)CCN1 105095159 KVBFXNMAYJWSPB-UHFFFAOYSA-N 323.368 1.516 0 40 DDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(F)c1 4730858 UHSDTBNJNNJWAR-UHFFFAOYSA-N 314.364 1.981 0 40 DDAB CCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CC)cc1 6934227 JTPYUCGPTGTDEJ-LBPRGKRZSA-N 312.435 1.832 0 40 DDAB COCCN1CC2(CCC1=O)CCN(C(=O)C=C(C)C)CC2 108530634 BWDATFJHVLXPII-UHFFFAOYSA-N 308.422 1.830 0 40 DDAB CN1CCN(S(=O)(=O)c2cnn(C)c2)[C@H](c2ccccc2)C1 106046874 IUVRDRHKIBHNEP-HNNXBMFYSA-N 320.418 1.098 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)o1 47910102 QNIZMLOIOLLHOK-UHFFFAOYSA-N 306.343 1.126 0 40 DDAB CCc1cc(C(=O)NCC2(C(N)=O)CCOCC2)sc1C 47909252 LUDZATDJJQPBOZ-UHFFFAOYSA-N 310.419 1.631 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)CN2Cc3ccccc3C2=O)CC[S@]1=O 106914614 GWVDRFIHWZAUST-DMDKVIGKSA-N 320.414 1.010 0 40 DDAB COc1cccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N(C)C)c1 57288434 JKFHBHXPQKTEBQ-HNNXBMFYSA-N 315.373 1.416 0 40 DDAB CCCNC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 35361640 UGFPSZUREQSLHZ-UHFFFAOYSA-N 304.394 1.044 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)C(=O)NCc1ccncc1 9858542 PQVCYRNUABZFSU-UHFFFAOYSA-N 322.368 1.538 0 40 DDAB Cc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nnn[nH]1 57523461 WJAVMGKRKYTENE-ZDUSSCGKSA-N 308.345 1.868 0 40 DDAB CC(C)n1c(CCNC(=O)NCC(F)(F)F)n[nH]c1=S 76017606 LDBMLRYZAMIGTJ-UHFFFAOYSA-N 311.333 1.926 0 40 DDAB CC(=O)N1CCCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 27565213 VDFSOWDIDYAQFK-NSHDSACASA-N 324.812 1.616 0 40 DDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC2CC2)C1=O 58184567 CPISOCFQYVEQHG-INIZCTEOSA-N 319.336 1.119 0 40 DDAB O=C(NCCNc1cnccn1)c1ccccc1-n1cccn1 48279066 OIURYRWYLYFYAZ-UHFFFAOYSA-N 308.345 1.504 0 40 DDAB O=C(NC1CC1)c1ccc(CNc2cn[nH]c(=O)c2Cl)cc1 58166313 DTRSIELNPKYSJL-UHFFFAOYSA-N 318.764 1.928 0 40 DDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1cccc(Cl)c1 44937694 ZLPQLESFLPGGIY-CQSZACIVSA-N 323.824 1.557 0 40 DDAB O=C(CC[C@H]1CCCO1)NCc1ccnc(-n2cccn2)c1 44913504 BWRYZWRKDVJVQX-CQSZACIVSA-N 300.362 1.843 0 40 DDAB COc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1 36103403 QFOCBVRADLNBSS-UHFFFAOYSA-N 318.417 1.880 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)[C@H]1CCCO1 27881316 VPXOFLOUPIRWRN-WCQYABFASA-N 311.403 1.778 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)CCO1 28036358 YYTMMSBRQVGCQC-CYBMUJFWSA-N 323.418 1.477 0 40 DDAB O=C(CNC(=O)Cc1ccccc1)NCCCN1CCCCC1 28062290 XXQHPIMFIBMNCQ-UHFFFAOYSA-N 317.433 1.338 0 40 DDAB C[C@@H](OCCCNC(=O)N1CC[C@@H](C(N)=O)C1)c1ccccc1 45160081 YQHDTXPDNQKOKY-UKRRQHHQSA-N 319.405 1.671 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2nnc(-c3cccs3)n2)CCO1 48309789 XTTIHUKCTGSUGW-SNVBAGLBSA-N 307.379 1.039 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 28833346 HVUZCEJKFYJMSU-GDBMZVCRSA-N 315.417 1.103 0 40 DDAB Cc1ccc(-n2nc(C(=O)N3CCNC(=O)C3)c3c2CCC3)cc1 29760259 DXNXDPXUVFTYPX-UHFFFAOYSA-N 324.384 1.241 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)NCCCn1nccc1C1CC1 20616871 NDUVPWNYMUGQBJ-UHFFFAOYSA-N 317.349 1.012 0 40 DDAB C[C@@H](OC(=O)c1ccc(Br)cc1)C(=O)NC(N)=O 3520705 SAVPQZADXOBHIJ-ZCFIWIBFSA-N 315.123 1.189 0 40 DDAB O=C(O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 38342281 PGTLAEWYSFMXAF-INIZCTEOSA-N 324.336 1.585 0 40 DDAB O=C1CCCCCN1Cc1nnc(S)n1-c1cccnc1 3888686 CMFNUSXFKZQUDK-UHFFFAOYSA-N 303.391 1.854 0 40 DDAB CC(C)S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 49442877 WRMLDHNUAPPMAD-UHFFFAOYSA-N 306.428 1.714 0 40 DDAB Cn1c(SCC(=O)NC(=O)c2cccs2)nnc1C1CC1 9219009 HWPPXZHTTDTECH-UHFFFAOYSA-N 322.415 1.803 0 40 DDAB NC(=O)c1ccc(OCc2nc([C@@H]3CCCCCN3)no2)cc1 96001544 NCCKYTRZBRIXGV-ZDUSSCGKSA-N 316.361 1.952 0 40 DDAB Cn1cc(C(=O)C(=O)N[C@@H](c2ccccc2)c2ccccn2)cn1 65488330 SJPHAGOIHVWELZ-INIZCTEOSA-N 320.352 1.904 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)C2CCN(C(N)=O)CC2)on1 65466438 ZENONRJNBWHARL-LBPRGKRZSA-N 306.366 1.437 0 40 DDAB O=C(C[C@@H]1SC2=NCCN2C1=O)NCCc1ccccc1 6344181 YXGZHOLCRZJSAT-LBPRGKRZSA-N 303.387 1.049 0 40 DDAB CCCn1nnnc1CN1CCO[C@@H](c2nc(C)cs2)C1 65540565 IGKFHAAXFNGHSI-LLVKDONJSA-N 308.411 1.422 0 40 DDAB NC(=O)[C@H]1CCCCN1CC(=O)N[C@@H]1CCCc2ccccc21 14169392 BKKYCAHZTOXMIZ-HZPDHXFCSA-N 315.417 1.520 0 40 DDAB Cc1cc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)on1 14198188 DEOIRZJYZLVOEV-UHFFFAOYSA-N 307.313 1.927 0 40 DDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)NC1CCCC1 65603952 NPDSTVTVNNJJCM-UHFFFAOYSA-N 317.267 1.391 0 40 DDAB Cn1c(O)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1=O 5626162 XOVIFQDEUXQIEA-UHFFFAOYSA-N 313.235 1.757 0 40 DDAB Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1 66485524 WDRFSCYYHBXCRE-INIZCTEOSA-N 316.401 1.849 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)c1cnc([C@H]2CCCO2)s1 90012409 VZWUAFMZKUSCDH-SECBINFHSA-N 309.391 1.345 0 40 DDAB C[C@H]1Oc2ccc(NC(=O)CN3CCSC3=O)cc2NC1=O 8016554 HRNVKHLTVDGIBY-MRVPVSSYSA-N 321.358 1.513 0 40 DDAB COCCc1noc(CN[C@@H]2CCc3nc(C(C)C)nn3C2)n1 71871859 PNVCFFNLUPFFSK-LLVKDONJSA-N 320.397 1.078 0 40 DDAB Cc1nc(N2CCC[C@H](N3CCCC3)C2)c2cnn(C)c2n1 71816907 DJIBJEMHFAXISZ-ZDUSSCGKSA-N 300.410 1.736 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)Nc1nccs1 69562032 SZWYHTJLFXZZCJ-UHFFFAOYSA-N 304.374 1.792 0 40 DDAB COCC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 71911437 YYABBKAHGOPKHO-WDEREUQCSA-N 316.398 1.510 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 69917812 ZAZATCNPZRTJLQ-CYBMUJFWSA-N 322.836 1.897 0 40 DDAB CCCn1nnnc1Cn1nnc(-c2cccc(Cl)c2)n1 19063842 QDQFOLMUEYMIFI-UHFFFAOYSA-N 304.745 1.438 0 40 DDAB C[C@H]1OCC[C@H]1Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 97046026 ZOWOIQHVJQWYPP-DGCLKSJQSA-N 321.402 1.865 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)no1 72231942 GWQJTKMMXDYHOY-LBPRGKRZSA-N 304.350 1.932 0 40 DDAB CCNC(=O)CNC(=O)Nc1nc(Cc2ccccc2)cs1 97107745 PTJMLOQFPAKDJU-UHFFFAOYSA-N 318.402 1.992 0 40 DDAB OCCNC1CCN(c2nc(-c3ccccc3)ns2)CC1 97163644 CZIOODXEOKFWRM-UHFFFAOYSA-N 304.419 1.756 0 40 DDAB COCCc1noc(-c2nc(-c3ccc(OC)cc3)no2)n1 98212362 WVXZQECXGYJFEY-UHFFFAOYSA-N 302.290 1.984 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NC(=O)C1(O)CCCCC1)CC2 95964715 RCMQQGRNWBLKSU-LBPRGKRZSA-N 306.410 1.528 0 40 DDAB Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)s1 75122178 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O=C(C[C@H]1C=CCC1)NCc1ccnc(N2CCOCC2)c1 25290644 OYKWCNGUJBAOFB-AWEZNQCLSA-N 301.390 1.891 0 40 DDAB CCN(CCN)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391782 HOUUTKDFFHGREV-MRXNPFEDSA-N 305.422 1.926 0 40 DDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC[C@H]1CCOC1 42725529 KLIIONQFIGYITA-GFCCVEGCSA-N 319.357 1.573 0 40 DDAB Nc1nc(N[C@H]2CCN(Cc3ccccc3)C2)c2cn[nH]c2n1 32581901 SUEHAEQTZRYYLK-LBPRGKRZSA-N 309.377 1.622 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@@H]2CCC[C@H]2SC)CC1 74195730 LJJKQKYXXSIURJ-HUUCEWRRSA-N 313.511 1.757 0 40 DDAB COCCN1[C@H](C)CN(C(=O)c2c(O)cccc2F)C[C@H]1C 130626491 HZLKKIQJRSDZPB-VXGBXAGGSA-N 310.369 1.713 0 40 DDAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccno1 225584625 DQNBKUXSORTTQC-CQSZACIVSA-N 304.327 1.995 0 40 DDAB O=S(=O)(c1cc(-c2ccno2)cs1)N1CCOCC1 44918766 YQJFWTOJEUZOIF-UHFFFAOYSA-N 300.361 1.424 0 40 DDAB COc1ccccc1CNC(=O)c1coc(NC(=O)C2CC2)n1 75157933 ZMVKIQMFKQHVGL-UHFFFAOYSA-N 315.329 1.962 0 40 DDAB COC(=O)[C@H](c1ccccc1C)N1CCC[C@@H](CC(N)=O)C1 195565832 JULNUSCBUSORAY-BBRMVZONSA-N 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CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(CCO)CC2 96261156 LJBCSUROBZPEIH-MRXNPFEDSA-N 302.418 1.849 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1)N1CCCC1 96057600 LBSGFWNRDPMAPU-NUEKZKHPSA-N 304.390 1.881 0 40 DDAB Cc1nc(CN2C[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]3C2)cs1 96161535 WNHWHXFAOUUGSJ-MELADBBJSA-N 321.446 1.378 0 40 DDAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)Cc2ccon2)C1 96470364 IIVVAOITMXXZAP-FRRDWIJNSA-N 315.439 1.460 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192159 XIIWCTFHUTWGEN-CHWSQXEVSA-N 306.410 1.807 0 40 DDAB O=C1C[C@@H](c2cccnc2)C2(CCN(c3ncccn3)CC2)N1 96199711 ZOAZLIAPOLLDQS-AWEZNQCLSA-N 309.373 1.514 0 40 DDAB CN(C[C@@H]1CO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC1 248016479 DEUUHZDOQBKSCA-PBHICJAKSA-N 302.422 1.946 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](Cc2ccn[nH]2)C1 257287497 PQFUORFUJMZXCC-CYBMUJFWSA-N 324.388 1.636 0 40 DDAB CC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)c1cccc(F)c1 257262102 LKAMINRJEYPHQQ-INIZCTEOSA-N 308.353 1.206 0 40 DDAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2cc(C)n[nH]2)n1 257301732 RZSKVGOMHKEILP-AWEZNQCLSA-N 315.377 1.793 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cnc(C3CC3)nc2)[C@H]1O 257214454 CMBZENXZMHAUTF-MGPQQGTHSA-N 305.378 1.354 0 40 DDAB Cc1cc(N(C)C2CC3(CCN(Cc4cc[nH]n4)C3)C2)ncn1 257290614 QDPGJALYIOKNRT-UHFFFAOYSA-N 312.421 1.999 0 40 DDAB CNC(=O)c1cnn2c([C@H]3CCCN(CC(C)C)C3)ccnc12 257257022 KNUNPSOZTSVLBE-ZDUSSCGKSA-N 315.421 1.924 0 40 DDAB Cc1cc(CCC(=O)NC2CCC2)nc(C2CCNCC2)n1 257238820 HMRGBTVYRCMKAB-UHFFFAOYSA-N 302.422 1.853 0 40 DDAB FC(F)(F)c1ccnc(NC[C@H]2CN(C3CC3)CCO2)n1 69601641 QQMNORWSEOYBCW-JTQLQIEISA-N 302.300 1.771 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3oc(CC)nc3C)CCO2)n1 293126762 IKQRATUYTBNKIJ-JTQLQIEISA-N 319.365 1.440 0 40 DDAB CCOC[C@@H]1CN(C)C2(C1)CN(C(=O)c1cncc(C)c1)C2 585093736 BDAFARPYUCGGEQ-AWEZNQCLSA-N 303.406 1.573 0 40 DDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCOCC2)cc1 28855607 RGTJAHQUYVBASA-LLVKDONJSA-N 308.403 1.984 0 40 DDAB CC(C)c1nc2n(n1)C[C@H](NCCOCC(F)(F)F)CC2 69982877 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1.679 0 40 DDAB CCOC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1583330 HRFYEAOTNUSCGI-GFCCVEGCSA-N 309.318 1.709 0 40 DDAB CCC(=O)N1C[C@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888844496 AEQBACOEZVCROL-STQMWFEESA-N 300.406 1.578 0 40 DDAB CSc1ncc(C)c(N2CCN(c3ncc(C)cn3)CC2)n1 1888854263 RNPTVNRWZOZVCT-UHFFFAOYSA-N 316.434 1.932 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc[nH]n2)cc1 23142484 OBRWUOCFYBMTDJ-UHFFFAOYSA-N 323.378 1.088 0 40 DDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(Cl)cc1C 32433495 WATSVCUYVMGRAA-UHFFFAOYSA-N 305.783 1.878 0 40 DDAB Cn1nccc1C(=O)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1075607830 RHWSRMXRCPSIQU-GOEBONIOSA-N 311.389 1.162 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2c(COCC3CC3)cncc2C1 1565552838 ALXKRBZCVDUZFP-AWEZNQCLSA-N 316.401 1.929 0 40 DDAB CCN1C[C@@H]2CN(C(=O)c3ccc4c(ccn4C)c3)C[C@@H]2C1=O 2055782066 GTYDBATYSOPVIN-CABCVRRESA-N 311.385 1.729 0 40 DDAB Cc1nnc2ccc(N3CC(N(C)C(=O)OC(C)(C)C)C3)nn12 1775969758 JZUQJLWERLSGQE-UHFFFAOYSA-N 318.381 1.488 0 40 DDAB Cc1cc(C)nc(NCc2nnc3ccc(N4CCCC4)nn23)n1 575615769 GPCBCCUYPGOVHO-UHFFFAOYSA-N 324.392 1.743 0 40 DDAB C/C=C/C(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440939 YKDKFFSBVVOKRQ-VMZHVLLKSA-N 312.167 1.795 0 40 DDAB CCn1nnc2cc(C(=O)N[C@@H](CC(C)C)C(=O)OC)ccc21 30847138 GUIMFPIIPDYCSN-ZDUSSCGKSA-N 318.377 1.769 0 40 DDAB COc1ccccc1CC(=O)Nc1ccc(OCC(N)=O)cc1 31183814 ORINKCXFZSGSSC-UHFFFAOYSA-N 314.341 1.741 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 40474052 NDQCNFRJJKQTBE-OHHHLRODSA-N 309.387 1.720 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cc(Cl)c2c(c1)OCO2 40489871 SHJMJGWBVTYUCN-UHFFFAOYSA-N 320.736 1.536 0 40 DDAB CCn1nc(C)c(CN(C)C(=O)c2c(C(=O)O)cnn2C)c1C 20318498 NZANQLCLVRDYLA-UHFFFAOYSA-N 319.365 1.224 0 40 DDAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCC2(CC1)OCCO2 51088641 LVZAASNVTCAXJS-CQSZACIVSA-N 316.401 1.803 0 40 DDAB O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 32066007 CVUVGRNGRRHUTH-KRWDZBQOSA-N 317.433 1.099 0 40 DDAB CC(C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 20671475 ABIWUXOIACUXJQ-SNVBAGLBSA-N 307.325 1.507 0 40 DDAB COc1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1O 20866573 UZDZCFVHRYALOZ-UHFFFAOYSA-N 307.224 1.236 0 40 DDAB CC[C@@H](CNC(=O)c1csc(NC(C)=O)n1)N1CCCC1 32661586 DVCINQUMHQOAES-NSHDSACASA-N 310.423 1.706 0 40 DDAB C[C@H](OC(=O)COc1ccc(Br)cc1F)C(N)=O 21257264 BSKLFAIMRVXHFS-LURJTMIESA-N 320.114 1.384 0 40 DDAB Cc1ccc2c(COC(=O)[C@@H]3CCC(=O)N3)cc(=O)oc2c1 21850174 AUTUFAPWYVIENF-LBPRGKRZSA-N 301.298 1.423 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)c1csnn1)c1ccccc1F 41614950 JMYPYVMIDJLCBU-LBPRGKRZSA-N 317.349 1.930 0 40 DDAB CC(=O)NCCNC(=O)CSCc1cccc(Cl)c1 22756589 BUROLBWEDUNDLS-UHFFFAOYSA-N 300.811 1.826 0 40 DDAB Cc1nccn1CCCCNC(=O)N1CCC[C@@H](N(C)C)C1 78953138 YLINVYCXCJOBBK-OAHLLOKOSA-N 307.442 1.707 0 40 DDAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN(CCO)CCO 2694470 BWBYPUBKWIJSCS-CABCVRRESA-N 311.422 1.226 0 40 DDAB CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc(F)c1 42301233 KHLPZDVQBNQVNR-UHFFFAOYSA-N 301.339 1.542 0 40 DDAB C[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)cc1 3583451 IUESDCGZFQIJJY-GFCCVEGCSA-N 307.369 1.755 0 40 DDAB Cc1nnc(CN2CCCN(C(=O)c3ccsc3)CC2)n1C 54364256 BWPNRLHGVGBUJC-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)cc1 23874683 HCRVXOAJZGRACC-UHFFFAOYSA-N 304.371 1.458 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 10302494 SRIJBUJUMZURTH-CYBMUJFWSA-N 302.440 1.451 0 40 DDAB CCOC(=O)C(=Cc1ccc(OC)c(C(=O)O)c1)C(=O)OCC 59485039 WSATWNZXLVSJQR-UHFFFAOYSA-N 322.313 1.903 0 40 DDAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 24353968 LGRFRRGSRQCDGA-AWEZNQCLSA-N 310.419 1.459 0 40 DDAB C[C@H](NC1CCOCC1)C(=O)Nc1ccc(-n2cncn2)cc1 97016729 VWYCOXLUKNYXBZ-LBPRGKRZSA-N 315.377 1.363 0 40 DDAB COc1cc(OC)c(N2C(=O)[C@H]3CN=N[C@H]3C2=O)cc1Cl 8306920 ABVXTTXRDHIOOP-UPONEAKYSA-N 309.709 1.681 0 40 DDAB CN(CC(=O)NCCc1ccsc1)c1ncnc2[nH]cnc12 56887529 DJSOOPNQEOGTII-UHFFFAOYSA-N 316.390 1.210 0 40 DDAB CN1C(=O)c2ccc(C(=O)n3nc(N)c4ccccc43)cc2C1=O 57964029 UOHAGJIIYCIXPZ-UHFFFAOYSA-N 320.308 1.533 0 40 DDAB O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@@H]1c1ccco1 109059664 LQTHFDDNWXDLSC-QWRGUYRKSA-N 318.402 1.957 0 40 DDAB CCn1cc(-c2nnc(SCc3nc(C)cc(=O)[nH]3)o2)cn1 57355772 VPJZLTAWPUZRRD-UHFFFAOYSA-N 318.362 1.637 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CNC(C)(C)c1nccs1 102706679 XKUAGVWIYCQMQA-WOJGMQOQSA-N 307.423 1.635 0 40 DDAB Cc1nc(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc(C)c1C 12685228 IITKERPDIARXOZ-LBPRGKRZSA-N 322.434 1.218 0 40 DDAB CCOc1ncccc1NC(=O)NC1CCN(C(C)=O)CC1 48206736 PMGAZYYIKGGNLR-UHFFFAOYSA-N 306.366 1.613 0 40 DDAB O=C([C@@H]1CCCN1CCOc1ccccc1F)N1CCOCC1 48264572 MMLPOTLLLUTJMI-HNNXBMFYSA-N 322.380 1.528 0 40 DDAB CCN1CCC[C@@H](CNC(=O)Cc2cn3ccsc3n2)C1 58430860 BHKWNTKTNDTHBS-LBPRGKRZSA-N 306.435 1.786 0 40 DDAB Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](O)C1CC1)C(C)C 84234507 PNSCVBHHPSXALN-HZPDHXFCSA-N 318.417 1.637 0 40 DDAB O=C(Nc1nc[nH]n1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 52536723 DGOOWYZCGYBMHT-QMMMGPOBSA-N 307.745 1.103 0 40 DDAB COc1cc(CNC(=O)NCCN2CCCCCC2=O)ccn1 48331493 NGOUCOMQBQBYGZ-UHFFFAOYSA-N 320.393 1.292 0 40 DDAB CC(=O)Nc1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1 3461558 XUZPLDYIZZEONW-UHFFFAOYSA-N 318.251 1.480 0 40 DDAB Nc1nc(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]1 3466525 MEQOHNBGTYDLJM-UHFFFAOYSA-N 311.798 1.491 0 40 DDAB NC(=O)NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3596873 XAKNGCGZILIQBX-UHFFFAOYSA-N 315.116 1.510 0 40 DDAB CCCN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 13070093 ILRGYPUPYUFCLJ-UHFFFAOYSA-N 312.391 1.101 0 40 DDAB O=C(CSc1nccc(O)n1)Nc1cccc2nsnc12 9143450 NYQPXDSOVQDNDX-UHFFFAOYSA-N 319.371 1.918 0 40 DDAB O=C(O)C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 13427803 RSHBXJXLXWZSDR-AWEZNQCLSA-N 324.340 1.764 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 9314303 ZKNBPVPXQWTMLH-MRXNPFEDSA-N 307.394 1.403 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)Cn1cnc2ccccc2c1=O 5466260 CTZUFSAOOMLRIK-UHFFFAOYSA-N 311.345 1.386 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4613906 XTVYWQYFLZVDAA-VOAKCMCISA-N 317.297 1.066 0 40 DDAB O=C(NC[C@H]1COCCO1)N1CCc2[nH]c3ccccc3c2C1 84593423 TWBVIVFBDACQLF-LBPRGKRZSA-N 315.373 1.651 0 40 DDAB C[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 87898200 HOBOLUGYQKWGGX-QMMMGPOBSA-N 302.783 1.612 0 40 DDAB CS(=O)(=O)CCC(=O)NC1(C(F)(F)F)CCCCC1 95398119 ZBMANZMNNNCHDV-UHFFFAOYSA-N 301.330 1.803 0 40 DDAB COC[C@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976140 FGKGVVCPYIBAGL-JSGCOSHPSA-N 322.380 1.368 0 40 DDAB Cc1ncc(CNC(=O)NCc2cccc(N(C)C)n2)s1 95437539 FJMKSAGXPMZCIO-UHFFFAOYSA-N 305.407 1.912 0 40 DDAB Cn1nnnc1SCC(=O)NCCc1c[nH]c2ccccc12 7495369 HLLBTNYYGHPZEE-UHFFFAOYSA-N 316.390 1.142 0 40 DDAB Cc1nc(CNC[C@H](O)COc2ccc3c(c2)OCO3)cs1 67975950 GOWFEKAFHREPMH-LBPRGKRZSA-N 322.386 1.710 0 40 DDAB Nc1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)s1 7536121 PSOUSHFAVAFMPN-UHFFFAOYSA-N 319.415 1.849 0 40 DDAB NC(=O)Cn1cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)nn1 80661511 WKILZDMRKLGBQX-GFCCVEGCSA-N 319.752 1.004 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1Cc1nccn1CC(F)(F)F 71897069 ZBXXQVLJNNOMNP-UWVGGRQHSA-N 304.316 1.531 0 40 DDAB CCc1n[nH]c([C@@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n1 83830176 RONGCNCBOICJAO-ZDUSSCGKSA-N 304.398 1.718 0 40 DDAB O=C(c1cccc[n+]1[O-])N1CCN(c2ccc(Cl)cc2)CC1 68959429 YCJWMFRHIGMYFT-UHFFFAOYSA-N 317.776 1.936 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 70017658 LMANSMKRIORLOV-LLVKDONJSA-N 318.402 1.657 0 40 DDAB COc1ccc(-n2ccc(C(=O)NCCN(C)C(C)C)n2)cc1 69370986 AMSTUHVBZKBWKC-UHFFFAOYSA-N 316.405 1.951 0 40 DDAB COCc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 8392478 GHQJQCACSVMEOM-UHFFFAOYSA-N 318.358 1.694 0 40 DDAB CC[C@@](C)(NC(=O)c1cc(Br)cn1C)C(=O)OC 69628808 SUAPKNCMDFLUPJ-GFCCVEGCSA-N 317.183 1.859 0 40 DDAB COc1cc2c(nn1)CCN(Cc1nc(-c3ccccn3)no1)C2 83925463 YAJCFSRAVBVDHN-UHFFFAOYSA-N 324.344 1.489 0 40 DDAB CC[C@]1(c2ccc(C)cc2)CC(=O)N(Cc2nccc(N)n2)C1=O 95448504 BEUHOEQYDFZOHT-GOSISDBHSA-N 324.384 1.974 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N1[C@H](C)COC[C@H]1C)C2 95960929 PHMSHQMWTGPSNL-YRGRVCCFSA-N 305.374 1.882 0 40 DDAB CN(C)[C@H](CNC(=O)NCc1cnn(C)c1)c1ccccc1 95954675 XCPQVHYQJJTLNZ-OAHLLOKOSA-N 301.394 1.522 0 40 DDAB C[C@@H](CC(=O)N1CCCCCC1)NCC(C)(C)S(C)(=O)=O 95968921 IDWHJYLJRKUUKT-ZDUSSCGKSA-N 318.483 1.580 0 40 DDAB COCc1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c(C)o1 76054794 KKBPCJRGSJGJMS-LRDDRELGSA-N 322.405 1.527 0 40 DDAB COc1cccc(NC(=O)[C@@H]2CN(C)CC3(CCNCC3)O2)c1 306143281 XXRCTXYQTHZZQG-HNNXBMFYSA-N 319.405 1.087 0 40 DDAB C[C@@H](O)CNc1ccc2nnc(-c3ccc4c(c3)OCO4)n2n1 521391987 SAOQUKMXLZKROR-SECBINFHSA-N 313.317 1.313 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cnn(C)c2)o1 72241042 OPKIUCIOJFAJCA-ZDUSSCGKSA-N 302.334 1.451 0 40 DDAB O=S1(=O)C[C@@H](NC(c2ccccc2)c2ccccc2)[C@@H](O)C1 315062897 HLCRVCWRHVDLJR-CVEARBPZSA-N 317.410 1.524 0 40 DDAB CCOC(=O)c1c(C)nn([C@]2(C)CCS(=O)(=O)C2)c1C 217352607 DACWPHRPRMJYOH-CYBMUJFWSA-N 300.380 1.210 0 40 DDAB CCCc1noc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 41122409 QWEVMJVOCFJGOS-LLVKDONJSA-N 303.366 1.775 0 40 DDAB Cn1cc2c(n1)CCC[C@H]2NC(=O)Cn1ccc(C(F)F)n1 527627814 HSDGMNOJBWQVFJ-SNVBAGLBSA-N 309.320 1.748 0 40 DDAB CC(C)c1nsc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 528118050 MHIJIIJDRSOUGU-UHFFFAOYSA-N 316.452 1.276 0 40 DDAB Cc1ccc(N(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 222558893 FHFXZLWKJHLOIJ-CQSZACIVSA-N 324.446 1.938 0 40 DDAB CS(=O)(=O)N(CC(=O)NC1CC1)Cc1ccccc1Cl 225442877 IUBOGWKYSIVQHZ-UHFFFAOYSA-N 316.810 1.380 0 40 DDAB Nc1ccccc1C(=O)NCCn1ncc2ccccc2c1=O 40818804 UYROMEGLROCDTH-UHFFFAOYSA-N 308.341 1.409 0 40 DDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@@H]2CCOC2)n1 96186536 LDBOHVDRFJHOMA-BRWVUGGUSA-N 315.417 1.744 0 40 DDAB COCCN1CC[C@H]2O[C@@H](C(=O)NCc3cccs3)CC[C@H]21 96065523 ARKGJIGAHDDQAP-RBSFLKMASA-N 324.446 1.633 0 40 DDAB C[C@@H]1CN=C(N2CCN(c3cc(Cl)nc(N)n3)CC2)S1 96424096 YUXNHOBDLMIOIR-MRVPVSSYSA-N 312.830 1.326 0 40 DDAB Cn1nc(CNC(=O)NCc2cccs2)c2c1CCOC2 96104033 IMVQERPPHOHFGY-UHFFFAOYSA-N 306.391 1.554 0 40 DDAB CC[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 333897634 RXWILAWNFPUUKY-KKOKHZNYSA-N 324.343 1.756 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 96430469 AYRMCBNEHMRCCX-GXTWGEPZSA-N 304.415 1.741 0 40 DDAB CC(C)Oc1ncnc2c1CCN(S(=O)(=O)C1CC1)CC2 96255657 NPBBWGBWWQCISJ-UHFFFAOYSA-N 311.407 1.157 0 40 DDAB COC(=O)c1c(Br)cnc(N)c1Br 98175466 VXZSTTYMHGEDBR-UHFFFAOYSA-N 309.945 1.975 0 40 DDAB CC(=O)N1CC[C@@]2(CN(C)C[C@@H]2COCc2ccccn2)C1 96217885 FJRWKHUXRVNXKA-NVXWUHKLSA-N 303.406 1.398 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1ccco1 96344551 YQGAUGOFEWYALV-UHFFFAOYSA-N 315.373 1.464 0 40 DDAB CCS(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC2CC2)C1 96060254 AXFIVPOFNXSSRB-LBPRGKRZSA-N 313.423 1.096 0 40 DDAB COCC[C@@H]1CCOC12CCN(c1cc(OC)ncn1)CC2 247847072 NILXFNRXGZFBAP-CYBMUJFWSA-N 307.394 1.897 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)CO)C2)cc(C(F)(F)F)n1 257217841 DAVNLNZRLJISLG-VIFPVBQESA-N 303.284 1.502 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2cccn2)[C@@H](c2ccccc2)C1 257215900 CSCISQGMVSNPKR-MRXNPFEDSA-N 312.373 1.315 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)CCOc2ccccc2F)C1 257215219 CPEJLDVWCSTQMF-MRXNPFEDSA-N 310.369 1.120 0 40 DDAB CCCn1ccc(C(=O)N2CCO[C@H](c3ccncc3)C2)n1 257248837 JFKSNGURZKZXNP-HNNXBMFYSA-N 300.362 1.902 0 40 DDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257312374 UNPVTSBJPLTKDX-HZPDHXFCSA-N 319.382 1.499 0 40 DDAB CC(C)C(=O)N[C@H]1CCN(CCOc2ccccc2)CC[C@@H]1O 257231886 GIOAKNFJVBGGAY-IRXDYDNUSA-N 320.433 1.663 0 40 DDAB CN(C(=O)c1cncc(-c2ccc(N)nc2)c1)C1CCOCC1 257303494 SHMRIVPYBPKOEG-UHFFFAOYSA-N 312.373 1.977 0 40 DDAB O=C(CCc1cccnc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257278178 OBDOPZSZYZIBFH-JFIYKMOQSA-N 317.433 1.508 0 40 DDAB CCc1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)s1 575423739 QBOQLQDPSYSWQW-IUCAKERBSA-N 302.446 1.171 0 40 DDAB O=C(NC[C@@H]1CN(CC2CCC2)Cc2ccnn21)N1CCCC1 585112319 OLOHRUVDZMXWNI-MRXNPFEDSA-N 317.437 1.845 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)c2nccc3ccsc23)cn1 585123510 NMPZUPDUNAZALU-HNNXBMFYSA-N 316.386 1.667 0 40 DDAB C[C@H](c1ccc(F)cc1)N1CCC(NS(C)(=O)=O)CC1 69420225 UKUBOVMJNNWIIF-LLVKDONJSA-N 300.399 1.900 0 40 DDAB COC(=O)[C@@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 69564315 ZLTOQSUPSJLELQ-LLVKDONJSA-N 300.399 1.879 0 40 DDAB COC(=O)CC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 165111591 XEKNZSXDHDITDX-CYBMUJFWSA-N 305.330 1.920 0 40 DDAB O=C(NC[C@@H](O)C(F)(F)F)c1cn(-c2ccc(F)cc2)nn1 72312175 PWHODNHWNKNWCT-SNVBAGLBSA-N 318.230 1.059 0 40 DDAB O=C(NCC1(OCCO)CCCC1)c1ccc2nsnc2c1 888106906 ASFVKVCLJQGSFP-UHFFFAOYSA-N 321.402 1.743 0 40 DDAB Cc1nc(COc2cccc(C(=O)N(C)CC(N)=O)c2)cs1 60565033 SIMHXTUFFCYQFM-UHFFFAOYSA-N 319.386 1.588 0 40 DDAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1 89857972 JFBSPJAQNBBDSE-KRWDZBQOSA-N 324.340 1.841 0 40 DDAB COCCN(Cc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 96496438 ODDYBBAFZBKIJY-CYBMUJFWSA-N 318.826 1.371 0 40 DDAB CC(C)S(=O)(=O)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549161644 HSDNNTFSNUWTMU-UHFFFAOYSA-N 324.402 1.143 0 40 DDAB Cc1ncc(-c2ccncc2)c(CN(C)C(=O)[C@@H]2CCOC2)n1 12337681 RBJXRJYAFWXJJP-CQSZACIVSA-N 312.373 1.842 0 40 DDAB CC1(C)CCC(=O)N[C@H]1CC(=O)C[C@H]1NC(=O)CCC1(C)C 12671112 QSRWDLIAAKFUEJ-BETUJISGSA-N 308.422 1.945 0 40 DDAB in-vitro COc1cc(NCC(=O)N2CCNC2=O)c(OC)cc1Cl 12766011 YCQNKTLIPGFYJK-UHFFFAOYSA-N 313.741 1.321 0 40 DDAB O=C(CCSCc1ccccc1)NCCN1CCOCC1 13688175 LOIWBCDLSFABPM-UHFFFAOYSA-N 308.447 1.758 0 40 DDAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(N)=O)C1=O 16255370 QPDRTLIOQNDNRJ-GFCCVEGCSA-N 316.144 1.246 0 40 DDAB Cc1nccn1CCNC(=O)c1ccccc1Cn1cccn1 19717581 VEXISOFFTUMXRY-UHFFFAOYSA-N 309.373 1.866 0 40 DDAB O=C(NCCCN1CCOCC1)NC1(c2ccccc2)CC1 19848152 NLNAXMLUXJTRRH-UHFFFAOYSA-N 303.406 1.697 0 40 DDAB CONC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 162741437 GHAIJIUXSNIFLW-NSHDSACASA-N 310.373 1.499 0 40 DDAB O=C(NC(=S)Nc1ccccc1)c1ccc2c(c1)no[n+]2[O-] 161271 ZUPVFBKQZOCEPB-UHFFFAOYSA-N 314.326 1.588 0 40 DDAB COC[C@@](C)(CNC(=O)c1ccc(C(F)(F)F)nc1)OC 575611415 FKPIMEWOTUNLOF-GFCCVEGCSA-N 306.284 1.882 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nc3ccc(F)cc3o2)CCO1 1888866581 VIDRGVVLBGBODB-CYBMUJFWSA-N 305.309 1.451 0 40 DDAB O=C([C@@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCCCC1 1888903963 OYKJTADEEUVPTK-INIZCTEOSA-N 319.405 1.765 0 40 DDAB Cn1cnc2c(N3CC[C@@H](COc4ccccn4)C3)ncnc21 1888931034 XUGVBXVTWJOEBP-GFCCVEGCSA-N 310.361 1.664 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2cc(C3CCC3)ncn2)CCO1 1889070793 XYRKBYYZNHPWAF-CQSZACIVSA-N 302.378 1.228 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1 21518759 NCIOBLYUKPOOPQ-ZDUSSCGKSA-N 313.375 1.667 0 40 DDAB CCOc1ccc(S(=O)(=O)NCCOC)cc1OCC 8497303 NKAPPOJFJFADHO-UHFFFAOYSA-N 303.380 1.409 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)no1 35246924 QWFMPOWKTPCVEQ-UHFFFAOYSA-N 316.360 1.563 0 40 DDAB CC(C)N1Cc2cncn2[C@]2(CCCN(C(=O)C3(F)CC3)C2)C1 1614948001 QNFKXUQJHRURAW-INIZCTEOSA-N 320.412 1.927 0 40 DDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)C1(F)CC1)C2 1565551615 IKSUIVRAKKDJPU-UHFFFAOYSA-N 306.385 1.750 0 40 DDAB CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 3651409 WTKPTPUXKGQWKF-UHFFFAOYSA-N 306.307 1.138 0 40 DDAB COC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 4166720 ATGWHRXXWXSMDD-UHFFFAOYSA-N 319.321 1.615 0 40 DDAB O=C(NC[C@]1(OCCO)CCOC1)c1cc2ccccc2[nH]1 617716740 VFXZRZJCDFCKTD-MRXNPFEDSA-N 304.346 1.066 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)NCC2(O)CCOCC2)cc1 75170491 ZGJPPKWIOYAAQQ-IZZDOVSWSA-N 311.403 1.427 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C2)n(C)n1 2332241670 UJNNKPFIXCNZKI-YNEHKIRRSA-N 308.426 1.673 0 40 DDAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 534915 UKKGEKYFVJZNFL-VWPFQQQWSA-N 305.374 1.663 0 40 DDAB C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)N1CCNC1=O 30010170 XSPPUQQLGSXQJN-ZETCQYMHSA-N 313.260 1.360 0 40 DDAB CCN(CC)C(=O)N1CCN(Cc2nc(C(C)(C)C)no2)CC1 40513728 XMPAHWKFOKWIQT-UHFFFAOYSA-N 323.441 1.947 0 40 DDAB O=C1C[C@H](Cc2ccc(NC(=O)C[C@H]3CCCO3)cc2)C(=O)N1 101219700 SUQVONOVLCLQIT-GXTWGEPZSA-N 316.357 1.399 0 40 DDAB CCc1cc(NC[C@](C)(CC)N2CCOCC2)n2ncnc2n1 52037030 VOIWNEWSORIKOE-INIZCTEOSA-N 318.425 1.600 0 40 DDAB CO[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 75602550 QGXAYRKEQLABFL-LSDHHAIUSA-N 300.362 1.829 0 40 DDAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 220273 MVEGIRIQRMNTDL-OCCSQVGLSA-N 304.390 1.958 0 40 DDAB CN1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 8974577 ZKTRBKUOIAZWEI-BDJLRTHQSA-N 317.320 1.045 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCN2CCCC2)c1C 8985026 IOCOFLUMEQYWSZ-UHFFFAOYSA-N 307.394 1.634 0 40 DDAB Cc1oc(C)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1C 75606520 PYPLTXSLKQIXCC-GJZGRUSLSA-N 306.406 1.876 0 40 DDAB CCC(CC)[C@H](CNC(=O)c1ccc(O)nn1)N1CCOCC1 22898321 JLHJMERVYWOGCS-AWEZNQCLSA-N 322.409 1.049 0 40 DDAB CCOC[C@H](O)CN1CCCN(Cc2ccccc2)C[C@@H]1C 76020113 KIIGSCWRMICHGY-FUHWJXTLSA-N 306.450 1.980 0 40 DDAB C[C@@H](C1CC1)N(C(=O)CS(=O)(=O)c1nccs1)C1CC1 79013849 LPRGLEFERWWQIR-VIFPVBQESA-N 314.432 1.706 0 40 DDAB COC(=O)CN1CCCN(c2cnc3ccccc3n2)CC1 54057460 ZVOFVWUFSBFMKQ-UHFFFAOYSA-N 300.362 1.315 0 40 DDAB COc1ccc(C)cc1NC(=O)CSc1nnc(C)n1N 3486460 QMKCKJIVWBZIKW-UHFFFAOYSA-N 307.379 1.348 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)CCNC(=O)Cc1ccccc1 42535902 LOZRZNMKDJLJET-AWEZNQCLSA-N 314.389 1.137 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)cc1C 6471560 QIFIWUNMXLYEQH-UHFFFAOYSA-N 314.407 1.149 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCC[C@H]1c1nnc2ccccn12 42867373 AQWKHLOHODZTOJ-OLZOCXBDSA-N 315.377 1.755 0 40 DDAB COC(=O)c1ccccc1NC(=O)CSc1nccc(=O)[nH]1 8013604 ONRYVAWUDFZPOC-UHFFFAOYSA-N 319.342 1.287 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1cccnc1 24685809 KEAUDMPWYRRYGF-NPQIQWPPSA-N 323.418 1.025 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 100307552 FFPRYSXUVZEAQK-OJVARPOJSA-N 308.337 1.385 0 40 DDAB O=C(CN1CCC(OCc2ccccc2)CC1)N1CCOCC1 58452547 MASAIOOVDTVENI-UHFFFAOYSA-N 318.417 1.526 0 40 DDAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCO 35109398 ZPMFESVCPGZZFH-VIFPVBQESA-N 302.168 1.715 0 40 DDAB CCc1nc2ccccc2n1CC(=O)N[C@H]1CCN(C2CC2)C1 57553362 ODEXRQIQFFMXHN-ZDUSSCGKSA-N 312.417 1.952 0 40 DDAB O=C(NCCCN1CCCC1=O)N[C@@H]1CCOc2ccccc21 48275480 FNYOFVHJRDOZGX-CQSZACIVSA-N 317.389 1.822 0 40 DDAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 57845936 OWIGNZOUKFKTFE-HNNXBMFYSA-N 324.446 1.327 0 40 DDAB COCCCNS(=O)(=O)c1cc(OC)c(C)cc1OC 27530756 YNBOUTYHMHGPFF-UHFFFAOYSA-N 303.380 1.327 0 40 DDAB Nc1nccnc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 27500423 LNYQCCSWZDASJZ-GFCCVEGCSA-N 315.377 1.609 0 40 DDAB O=C(Nc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 10213297 FBKPMRXELASYRP-UHFFFAOYSA-N 302.334 1.978 0 40 DDAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn[nH]1 58216556 CHRZUHLQEAAWBL-QMMMGPOBSA-N 309.167 1.928 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1 58249238 SZEZNTJIZXVEOO-LBPRGKRZSA-N 309.797 1.789 0 40 DDAB O=C(COc1nc(-c2ccccc2Cl)no1)N1CCOCC1 58289981 BXHVLKBHFLMMDG-UHFFFAOYSA-N 323.736 1.628 0 40 DDAB Cc1cnc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)s1 51527663 MSIGSDCPQQEYQC-LBPRGKRZSA-N 314.374 1.861 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)NCCOc1ccc2c(c1)CCC2 58201090 OORNMPLTQIXCAF-CYBMUJFWSA-N 318.417 1.833 0 40 DDAB COC(=O)[C@H]1C(=O)[C@H](C(=O)CC[C@@H]2CCCO2)C(=O)CC1(C)C 100768358 XGEULGNSRGWTSS-ZLKJLUDKSA-N 324.373 1.488 0 40 DDAB Cc1ccc(C(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100648964 PEBUXYDTCLGVRK-RWBGONCASA-N 314.337 1.919 0 40 DDAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)[C@@H](C)CO1 48302313 GWMRBRPRMXAMAV-UWVGGRQHSA-N 318.295 1.503 0 40 DDAB CNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC 3499155 OFSWBMBUUMARPK-UHFFFAOYSA-N 322.390 1.230 0 40 DDAB Cc1cc(C(F)(F)F)nn1CC(=O)N(C)Cc1ccnn1C 28234466 ALLMPGVNTHJIFA-UHFFFAOYSA-N 315.299 1.602 0 40 DDAB O=C(CCn1[nH]c(=O)ccc1=O)N[C@H]1CCCc2ccccc21 9058116 PFPDPOVWDBBRQR-AWEZNQCLSA-N 313.357 1.121 0 40 DDAB CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OC)[C@@H]3C1=O 4200210 CEICVUCFKFAYJL-BASYENTBSA-N 313.353 1.708 0 40 DDAB biogenic Cc1n[nH]cc1CN[C@H](CN1CCOCC1)c1ccccc1 65491706 JKYKRHSCAVUSPR-QGZVFWFLSA-N 300.406 1.881 0 40 DDAB COCCN(C)CCCNC(=O)Cc1cn(C)c2ccccc12 65612901 YIYBANWIJZDUPC-UHFFFAOYSA-N 317.433 1.805 0 40 DDAB CCCc1nc(CS(=O)(=O)CC2(O)CCC(C)CC2)no1 95988321 QZXUOAXYFYCFGY-UHFFFAOYSA-N 316.423 1.878 0 40 DDAB Cc1c(C(=O)Nc2nnn[nH]2)nnn1-c1ccc(F)c(Cl)c1 66621389 DNTPGRMTZDZFTG-UHFFFAOYSA-N 322.691 1.134 0 40 DDAB CCCn1c(=O)c2ccccc2n(CC(=O)NC(C)C)c1=O 6801904 SUHFNOMUBRPRCY-UHFFFAOYSA-N 303.362 1.098 0 40 DDAB Cn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccco1 4924045 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Cc1ncc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c(=O)[nH]1 91934881 HQYSJTNEZRWFMJ-HNNXBMFYSA-N 323.356 1.446 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](n2ccnc2)C1 69706693 ZFMJYBAHMJPFTJ-CJNGLKHVSA-N 313.357 1.887 0 40 DDAB COCCN1CCC[C@@H](N[C@@H]2CCN(CC(F)(F)F)C2)C1 88716271 IMLSAMCKOOCULS-CHWSQXEVSA-N 309.376 1.323 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCC2=O)c1C 8772300 WBAUPNNXUWAILO-UHFFFAOYSA-N 321.377 1.160 0 40 DDAB O=C(NCCn1ccnc1)C(=O)Nc1cnc2ccccc2c1 70752558 RRWRGXPRJVAIMT-UHFFFAOYSA-N 309.329 1.186 0 40 DDAB CCc1cc(N2CCCC[C@@H]2CC(=O)OC)n2ncnc2n1 89282818 SFERDLPYJUYFQE-GFCCVEGCSA-N 303.366 1.609 0 40 DDAB C[C@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccccn1 97015904 OWEJJBBRQPSWIM-AWEZNQCLSA-N 312.421 1.474 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1CC=CC1 97081793 QBZMJRZSGSTSJV-QGZVFWFLSA-N 300.402 1.836 0 40 DDAB O=C(Nc1nnn[nH]1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 72294768 DNUUAIPQDGYDIM-HTQZYQBOSA-N 313.239 1.841 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2noc(C)n2)C1 84259248 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COCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 30857609 MEZGQNFPJAVHCO-UHFFFAOYSA-N 306.771 1.088 0 40 DDAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1 38771522 BLSDJMCVEVEBJQ-CQSZACIVSA-N 308.353 1.707 0 40 DDAB CC(=O)N1CCC[C@@H](c2nc(CN(C)C)cc(N(C)C)n2)C1 72352021 RBXMYXJHCGFBJD-CYBMUJFWSA-N 305.426 1.330 0 40 DDAB Cc1ccn(-c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)n1 32105011 ALLOUGKIZPQPQW-UHFFFAOYSA-N 323.312 1.921 0 40 DDAB Cc1ccc2nc(C)c(C(=O)NCCN3CCOCC3)n2c1 71476695 MHLPHSYELOAHNF-UHFFFAOYSA-N 302.378 1.013 0 40 DDAB COc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]2CNC[C@H]21 563445205 APFBPJGMPFHEMO-CMPLNLGQSA-N 314.382 1.207 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H]2CCCO2)o1 72239855 FXDYWIOEFCEUQC-GXTWGEPZSA-N 306.362 1.374 0 40 DDAB O=C(c1cccnc1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72393865 IMEGLWVSWFTHND-GFCCVEGCSA-N 308.345 1.768 0 40 DDAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C 188335075 ZENSBFDYQYJKHE-ZWNOBZJWSA-N 318.826 1.908 0 40 DDAB Cc1cc(N2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)nc(N)n1 72388631 AMAHGGCISXIUCN-LLVKDONJSA-N 315.381 1.134 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(-c3nnnn3C)cc2)C[C@@H](C)O1 72239331 PUYOUXDRSBLWDR-PHIMTYICSA-N 301.350 1.127 0 40 DDAB NC(=S)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388270 ZDGHDCGQKSOZQA-UHFFFAOYSA-N 322.353 1.198 0 40 DDAB CSCC[C@](C)(O)CNC(=O)COc1ccccc1F 75157452 WZDAZOZZQXMTNW-AWEZNQCLSA-N 301.383 1.825 0 40 DDAB Oc1nc(=NCC23CC(CO2)C3)[nH]c2c1cnn2-c1ccccc1 528184589 MPXSAHURZXILGN-UHFFFAOYSA-N 323.356 1.534 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCC(CCc2ccc(O)cc2)CC1 44906960 KDRHOQOHIKWSMB-LBPRGKRZSA-N 319.405 1.620 0 40 DDAB C[C@H]1CN(CCN(C)C(=O)Nc2ccncc2F)C[C@@H](C)O1 193945839 JTRCCWQNQBYGSL-TXEJJXNPSA-N 310.373 1.794 0 40 DDAB CO[C@@H](C)CS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 195315954 GDEODOLLRJMRCG-JSGCOSHPSA-N 304.456 1.205 0 40 DDAB C[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)O1 96485673 BNIJYIGRCGPPFT-NJZAAPMLSA-N 305.378 1.551 0 40 DDAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cnccn1)C2 96229780 IABRAZVBZSNVPW-INIZCTEOSA-N 302.378 1.484 0 40 DDAB CC(C)CN1C[C@H]2CCN(c3ncccn3)CC[C@H]2S1(=O)=O 96145610 AURXHWYQOIXOPC-ZIAGYGMSSA-N 324.450 1.363 0 40 DDAB O=C(O)CCC(=O)N1CC2(CCN(Cc3ccsc3)C2)C1 96202793 YSAQPXNRZSKTIM-UHFFFAOYSA-N 308.403 1.647 0 40 DDAB COc1cc(N2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)ncn1 96109916 MFZCUZSPMHBHLV-LBPRGKRZSA-N 320.393 1.091 0 40 DDAB Cn1c(CCNC(=O)CCNc2ncccn2)nc2ccccc21 95479811 DDWDTRSQJRNVMX-UHFFFAOYSA-N 324.388 1.524 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(CC4CCOCC4)C3)C2=O)cn1 96050551 AOCKYPLBALOMNB-KRWDZBQOSA-N 318.421 1.276 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2cnccn2)Oc2ccccc21 96111725 ZYRWFKZWVRABKB-FZMZJTMJSA-N 324.340 1.115 0 40 DDAB biogenic,in-vitro Cn1cc(CN2CCn3cc(CN4CCCCC4)nc3C2)cn1 96059402 LQRSVCZCOFMUOR-UHFFFAOYSA-N 314.437 1.618 0 40 DDAB CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CN)C2CC2)c1 97229358 MYIVERUXFRKFAJ-LBPRGKRZSA-N 316.810 1.558 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4cccs4)C[C@H]3O2)n1 96220394 ZSTBNJTXNBIULQ-SDDRHHMPSA-N 319.386 1.912 0 40 DDAB O=C(c1ccco1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96188623 DDIKIZNGDJDASG-GFCCVEGCSA-N 312.333 1.040 0 40 DDAB Cc1ccc(CN2C[C@@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)cc1 96185843 LVOYABXFRWPKNN-BRWVUGGUSA-N 317.433 1.998 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 96414087 HENFHYNFXVLTCP-SNVBAGLBSA-N 316.279 1.588 0 40 DDAB O=C(N1CCOCC1)N1CCc2ncnc(C3CC3)c2CC1 96255139 UCOMCFNRNQEVMI-UHFFFAOYSA-N 302.378 1.207 0 40 DDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccco1)C2 96215147 WRKJXJWYCYLCKU-CQSZACIVSA-N 312.391 1.310 0 40 DDAB CCOc1cc2c(cc1Cn1cnnc1[S@](C)=O)O[C@@H](C)C2 96408054 HURGJDQOJIFIIE-MLMJSJRWSA-N 321.402 1.786 0 40 DDAB CN(C)CCOC[C@H]1CN(Cc2ccoc2)Cc2nnn(C)c21 96060656 RVADEZMSYCHQSE-CQSZACIVSA-N 319.409 1.086 0 40 DDAB c1csc(-c2n[nH]c(CN3CCO[C@@H]([C@H]4CCCO4)C3)n2)c1 253369243 ACHDXNMSXNOIFS-VXGBXAGGSA-N 320.418 1.913 0 40 DDAB COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CCCCN1C(N)=O 252494010 NIHXGAUJGPFGOE-PWSUYJOCSA-N 323.368 1.945 0 40 DDAB O=C(c1nccc2ccccc12)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257253105 JXOUPNRZKQHOJZ-YJBOKZPZSA-N 312.369 1.991 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc21 25407212 QFVIPJHZZKQXAF-DZGCQCFKSA-N 315.417 1.552 0 40 DDAB COc1ccc([C@@H]2CN(Cc3ncc[nH]3)CCN2C(C)=O)cc1 257311777 UKYFLBOURRHXML-INIZCTEOSA-N 314.389 1.824 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cnco3)CC[C@H]21 257325545 WTKUPNBSCUEMRX-QWHCGFSZSA-N 321.377 1.164 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)c3ccccc3Cl)CC[C@@H]2N1 257204906 AWUWWWSUTPFQDK-STQMWFEESA-N 308.765 1.460 0 40 DDAB COCC(=O)N1Cc2cncn2CC[C@H]1COc1ccccc1 585096924 FQDFPGJDABAKQI-AWEZNQCLSA-N 315.373 1.709 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2c[nH]nc2-c2ccccc2)[C@@H]1O 585286551 KURFRGIRNPYDNE-INMHGKMJSA-N 317.389 1.189 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1cccc(Cl)c1O 585142501 XILVPUCPMUGQLX-UHFFFAOYSA-N 316.770 1.136 0 40 DDAB O[C@]1(COc2ccccc2)COCCN(Cc2ncc[nH]2)C1 585277951 ZDXSPEJDQHAGCD-INIZCTEOSA-N 303.362 1.052 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N[C@@]1(C(=O)O)CCc2ccccc21 671666923 KGRCUCKEQJQYMH-KRWDZBQOSA-N 313.357 1.693 0 40 DDAB COc1ncc(NS(=O)(=O)c2cc(F)ccc2F)cn1 585433150 DEKCNDVSVMBTJP-UHFFFAOYSA-N 301.274 1.564 0 40 DDAB COCC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2C1CCCCC1 1775964424 SBWVMWGSDVDFNE-ARLBYUKCSA-N 322.449 1.955 0 40 DDAB biogenic,in-vitro C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)c1nccnc1C(N)=O 73939457 IXHLFTJUWDLORU-KOLCDFICSA-N 316.386 1.655 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1N(C)C 78897144 BYCVEAHMPWZUIT-DZGCQCFKSA-N 317.437 1.102 0 40 DDAB Cc1cc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc(C)n1 301362004 PBAYKTJWUDLCRB-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCC1)N2 12357238 MGIJFCZDFQVQKM-UHFFFAOYSA-N 309.410 1.746 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1c[nH]nc1-c1ccccc1 19575850 LUZAXYSOXGIZBO-RRQGHBQHSA-N 312.417 1.716 0 40 DDAB COCCc1ncc(CN2CCN(c3nccs3)CC2)cn1 19659153 STYTVZMPFGRPPF-UHFFFAOYSA-N 319.434 1.444 0 40 DDAB CN1CCNCCOc2ccccc2Oc2ncccc2C1=O 643565358 DELQCTDLUCIZCU-UHFFFAOYSA-N 313.357 1.928 0 40 DDAB CCOc1ccc(N2C[C@H](CNC(=O)COC)CC2=O)cc1 8925568 UCEQWTGMVVPVEO-LBPRGKRZSA-N 306.362 1.201 0 40 DDAB CCN(CC1CC1)S(=O)(=O)NCc1cccc(C(=O)O)c1 555460802 PLJJEUUGBGRLHI-UHFFFAOYSA-N 312.391 1.451 0 40 DDAB C[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)N1CCOCC1 19456485 SEWYIKDEXDJXPJ-NSHDSACASA-N 305.353 1.758 0 40 DDAB O=S(=O)(NCC1CCN(C2CCSCC2)CC1)C1CC1 252483176 DWOZFRSVLRSTAU-UHFFFAOYSA-N 318.508 1.676 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncccn2)nn1 1888843448 SWLNVQDHJTUCLU-PBWFPOADSA-N 300.366 1.587 0 40 DDAB COC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 1889071889 CXZIWFPJPBZFBD-UHFFFAOYSA-N 324.336 1.385 0 40 DDAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(N)=O)CC1 20901836 KHFGIJAXDVJRAQ-GQCTYLIASA-N 302.374 1.741 0 40 DDAB CN(C)C1(CNS(=O)(=O)c2ccccc2F)CCCC1 32916589 DMNVUASEPOELKA-UHFFFAOYSA-N 300.399 1.978 0 40 DDAB COc1ccccc1C(=O)N1CC[C@]2(COCC(=O)N(C)C2)C1 2037985775 VXKLPAUUBOTPKL-QGZVFWFLSA-N 318.373 1.016 0 40 DDAB CCc1cnc(N2CC[C@H](Oc3ncc(OC)cn3)C2)nc1 2086964113 IUIAJFUHMWKQQZ-LBPRGKRZSA-N 301.350 1.495 0 40 DDAB CC(C)CC(=O)N[C@@H]1CCc2onc(C(=O)NC(C)C)c2C1 2055738656 HOMCITBZMQXJOJ-LLVKDONJSA-N 307.394 1.832 0 40 DDAB Cn1nccc1-c1ccc(CNC(=O)NC[C@H]2CCCO2)cn1 575618582 COVOFNMYIRDHNK-CYBMUJFWSA-N 315.377 1.460 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC[C@@H](n3ccnn3)C2)cc1 206925926 LAAWOFIUAKPHBD-CYBMUJFWSA-N 300.318 1.152 0 40 DDAB Cc1ccc(OC[C@H]2CCN(c3ncnc4n[nH]cc34)C2)nn1 2298061409 MGAAUBROCVBHAR-NSHDSACASA-N 311.349 1.357 0 40 DDAB CNC(=S)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 13878701 BYXVQWMXUCXMOI-UHFFFAOYSA-N 321.402 1.182 0 40 DDAB CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1C 30323664 GPUZPQSGEQAZEL-UHFFFAOYSA-N 323.418 1.948 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 30304737 JJAQWTAYIRHWKT-XHDPSFHLSA-N 321.402 1.160 0 40 DDAB O=C(CN1CCSC1=O)NCc1ccc(-n2cccn2)cc1 40529426 OJRKMKFBHDXFAH-UHFFFAOYSA-N 316.386 1.657 0 40 DDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 84443 RRXPLPUVGDBFRX-HNNXBMFYSA-N 315.373 1.763 0 40 DDAB O=C(COc1cccc(-n2cnnn2)c1)NC1CCCCC1 420445 FIFATJONBSFRHA-UHFFFAOYSA-N 301.350 1.490 0 40 DDAB CCCCn1nnnc1COC(=O)C1=Cc2ccccc2OC1 19356607 QREBCNBENXLGJP-UHFFFAOYSA-N 314.345 1.992 0 40 DDAB CCOC(=O)Cn1c(=O)n(C)c(=O)c2c(CC(C)C)csc21 12408637 BXPTYOXPCWEZLU-UHFFFAOYSA-N 324.402 1.523 0 40 DDAB O=C1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CCN1 78432769 DVUFKFXIJYNGCP-UHFFFAOYSA-N 310.781 1.823 0 40 DDAB C[C@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCc2ccccc2C1 78927809 RGZBJANEXACSTR-PBHICJAKSA-N 324.428 1.761 0 40 DDAB O=C(NCCOc1cccc(Cl)c1)N1CCO[C@H](CO)C1 78900257 GXBUQFZXBURAHA-ZDUSSCGKSA-N 314.769 1.122 0 40 DDAB Cn1c(CSCc2ccc(F)c(F)c2)cc(=O)n(C)c1=O 79085870 HWFTWXGOTDJRSE-UHFFFAOYSA-N 312.341 1.796 0 40 DDAB Nc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 1668121 GHONXNXMSKFJHS-UHFFFAOYSA-N 307.353 1.689 0 40 DDAB C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 3330161 BNFMNNDSGNXRJQ-NSHDSACASA-N 322.386 1.090 0 40 DDAB O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 4428086 ZLGZCJQLZBCESQ-ZCFIWIBFSA-N 309.137 1.386 0 40 DDAB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(N=O)CC[C@@]314 4972565 NGNCKOKHKZDIHF-NDQFFAJQSA-N 314.341 1.553 0 40 DDAB CCCCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766466 SRMRQNZQCYDGDL-UHFFFAOYSA-N 310.419 1.929 0 40 DDAB CCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6954063 VBGKQSPWRHRPBQ-UHFFFAOYSA-N 314.407 1.136 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1C)OCO2 6594681 QFESYNATYLNHKZ-CQSZACIVSA-N 318.329 1.915 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCC2 42747478 RQOLHJSMJANLSR-RISCZKNCSA-N 322.430 1.450 0 40 DDAB Cc1c(C(=O)OCC(=O)N2CCNC2=O)sc2ccccc12 7568176 QPXSONHMXVBHSJ-UHFFFAOYSA-N 318.354 1.918 0 40 DDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC3CC3)c2C)n1 24775209 KAVZVGVPZGIZSN-UHFFFAOYSA-N 313.405 1.965 0 40 DDAB CCOc1cc(Cl)ccc1CNC(=O)[C@@H]1CN(C)CCO1 95434616 NDCMBVNFNXKTRS-AWEZNQCLSA-N 312.797 1.686 0 40 DDAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)no1 25139120 GZBZVTATLVLGLU-ZDUSSCGKSA-N 313.357 1.995 0 40 DDAB NC(=O)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 1432234 UYLOPSZVOJJIHT-UHFFFAOYSA-N 322.324 1.134 0 40 DDAB biogenic Cc1cc(NC(=O)[C@H](C)N2CCC(c3cnn(C)c3)CC2)on1 97203127 XSPSSKRVBMYJTJ-LBPRGKRZSA-N 317.393 1.923 0 40 DDAB CCN(CC)CCNC(=O)CN1C(=O)C(C)(C)c2ccccc21 57355633 XLPRSFLTPLHLKV-UHFFFAOYSA-N 317.433 1.769 0 40 DDAB O=CN1CCN(C(=O)CSc2ncnc3sccc23)CC1 3255523 JWYWALCZMSMVHA-UHFFFAOYSA-N 322.415 1.084 0 40 DDAB CNC(=O)CN1CCC(N[C@H](C)CCc2ccccc2F)CC1 97228279 NOQZMZNWTSLWAD-CQSZACIVSA-N 321.440 1.947 0 40 DDAB COC(=O)c1cc(NC(=O)CNC(=O)c2ccco2)ccc1F 27188722 WNVHEAVRRKETSD-UHFFFAOYSA-N 320.276 1.574 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N(C)Cc1nc2ccccc2s1 27404127 LSNNVJZKJVXAAV-GFCCVEGCSA-N 319.430 1.975 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccccc1F 44955340 KEYFVXBECMORMF-SMDDNHRTSA-N 306.341 1.444 0 40 DDAB CC(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 12751624 KWUIBRLUXBEEHO-KOLCDFICSA-N 320.345 1.284 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)NCc1ccc(F)cc1 58420607 WIJOECKTBSPRAB-UHFFFAOYSA-N 312.304 1.247 0 40 DDAB Cc1csc2nc(COc3ccccc3C(N)=O)cc(=O)n12 10611109 LAQJKYTVMNJZKU-UHFFFAOYSA-N 315.354 1.742 0 40 DDAB O[C@@H]1CCCC[C@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 28239215 PTDHBHVYNLQEDV-HZPDHXFCSA-N 318.417 1.836 0 40 DDAB COc1cccc(CC(=O)NC[C@@H](C)N2CCOC[C@@H]2C)c1 110587699 KMROHQQYPWNACR-KGLIPLIRSA-N 306.406 1.463 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)c2cn3ccccc3n2)C1 48301562 FZVFPOIUYUITAJ-CQSZACIVSA-N 316.405 1.421 0 40 DDAB CCn1cc(CN2C(=O)/C(=C/c3cnn(C)c3)N=C2S)cn1 2537800 QJMUPUHXYZJGPG-QCDXTXTGSA-N 316.390 1.306 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)O)cnn2C)cc1 11851417 DGEZSNSYOBVGED-UHFFFAOYSA-N 309.347 1.252 0 40 DDAB COCCCNC(=O)[C@@H](C)Sc1nnc(OC(C)C)s1 49422784 CAGKNBBSRDEDSX-SECBINFHSA-N 319.452 1.959 0 40 DDAB C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 97373224 XJZSKRMWCGFBKW-IUODEOHRSA-N 312.435 1.594 0 40 DDAB O=C1CN(S(=O)(=O)c2cccs2)[C@H]2CCCC[C@H]2N1 84442244 KNQQJJXVDMRNIJ-ZJUUUORDSA-N 300.405 1.180 0 40 DDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)CSC1=O 4399728 VUWULSVGTVHGNX-UHFFFAOYSA-N 308.315 1.107 0 40 DDAB Cn1ncc2c(N3CCC(C(=O)NC(C)(C)C)CC3)ncnc21 65429168 CVEUGAGSUATUFT-UHFFFAOYSA-N 316.409 1.494 0 40 DDAB Cc1noc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 65531889 TUQVHPRRVUQOPP-JQWIXIFHSA-N 314.345 1.608 0 40 DDAB COC(=O)c1ccc(OCCN2CCCC[C@H]2C(N)=O)cc1 65542773 MDSBBZMIUSLUJV-AWEZNQCLSA-N 306.362 1.192 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCOc2ccccc21 84593213 BQNYKWOEWXOVNV-UHFFFAOYSA-N 321.336 1.891 0 40 DDAB c1ccc(CN2CCCC2)c(CNc2ccc3nnnn3n2)c1 14135716 WGNRDDKSIKCEHI-UHFFFAOYSA-N 309.377 1.727 0 40 DDAB COc1ccccc1S(=O)(=O)Nc1ccccc1C(N)=O 6471380 KNECDAIQJCUUES-UHFFFAOYSA-N 306.343 1.595 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@@H](O)c1cccc(F)c1 65627057 ULQIHOUWMMPACA-CQSZACIVSA-N 306.341 1.445 0 40 DDAB Cc1ccccc1-c1nnc(SCC(=O)N2CCNC2=O)o1 5434825 GWPPCKNLOVZFBD-UHFFFAOYSA-N 318.358 1.689 0 40 DDAB C[C@]1(c2ccc(NC(=O)Cc3cccnc3)cc2)NC(=O)NC1=O 95395218 BPVRUMJOFSCFAI-QGZVFWFLSA-N 324.340 1.317 0 40 DDAB C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2C1 4885583 SOEKLKQFNBQEDJ-HTQZYQBOSA-N 310.375 1.613 0 40 DDAB 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KZBHVOAPLYGIMA-WCQYABFASA-N 303.318 1.115 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 5558525 XBWCQLPOYGYWMW-CRWXNKLISA-N 319.313 1.297 0 40 DDAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3cn(C)nc3C)C[C@H]1CC2 12232583 JSGQAYSXQIJHIZ-HIFRSBDPSA-N 311.389 1.629 0 40 DDAB Cn1cnnc1SCC(=O)Nc1nnc(C(F)(F)F)s1 12321079 CRHHSQABGIOZBH-UHFFFAOYSA-N 324.313 1.416 0 40 DDAB O=C1COc2ccc(-c3csc(N4CCOCC4)n3)cc2N1 12601868 VUYWIPXXDGRAKC-UHFFFAOYSA-N 317.370 1.978 0 40 DDAB COc1ccccc1/C=C1\NC(=S)N(C[C@H]2CCCO2)C1=O 13119112 GYPCODDYZJFILL-FNWMBBJUSA-N 318.398 1.932 0 40 DDAB CN(C)S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1 253472814 PMJXKEWONKHUOE-UHFFFAOYSA-N 319.814 1.385 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 7990694 PKZMBTVKEBUTQB-ZANVPECISA-N 301.346 1.525 0 40 DDAB COC(=O)c1cnc(NC(=O)[C@@H](C)OCC(F)(F)F)s1 31713024 INQOGSJXVBVZNQ-RXMQYKEDSA-N 312.269 1.836 0 40 DDAB O=C1NCCCC[C@@H]1N1CCC(Oc2ncc(Cl)cn2)CC1 1888834122 QQWDFSUZEZWGRT-ZDUSSCGKSA-N 324.812 1.642 0 40 DDAB Cc1cnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)nc1 1888844562 HYEKIGARMTYONE-ZDUSSCGKSA-N 306.435 1.577 0 40 DDAB COCCn1cnc2c(Nc3ccc(C(N)=O)cc3)ncnc21 1888913681 UXGCPCYZOZTBCR-UHFFFAOYSA-N 312.333 1.315 0 40 DDAB CCCc1cc(=O)[nH]c2nnc(S[C@H](CC)C(=O)OC)n12 4250278 KWKMZPSPLQXYDA-SECBINFHSA-N 310.379 1.414 0 40 DDAB O=C(c1cc(C2CC2)on1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772327 XDLOJWZHRQCTAH-OLZOCXBDSA-N 315.373 1.492 0 40 DDAB C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2cnn(C)c2)C1 40539655 HLJAHBMIVCIBEZ-STQMWFEESA-N 314.455 1.066 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1F 40528179 HVAXJWOYIPFQBH-LBPRGKRZSA-N 316.398 1.133 0 40 DDAB Cc1ccc(OCC(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 40536321 ITGIWVSXHCSRPX-OAHLLOKOSA-N 306.406 1.993 0 40 DDAB CN(C)Cn1cc(CC(=O)N2CCN(C)CC2)c2ccccc21 20647808 SKKHSJRFURGJSH-UHFFFAOYSA-N 314.433 1.477 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NC[C@H]1CCCO1 32124368 LAYFBHVJECGSIG-MFKMUULPSA-N 317.345 1.072 0 40 DDAB biogenic O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)c2ccco2)C1 21216145 BORLSTFSJBKZCY-SECBINFHSA-N 306.347 1.622 0 40 DDAB C[C@@H](Nc1ccc(F)c(NC(=O)C2CC2)c1)C(=O)NC(N)=O 32771696 OWDSYKWONFZSAT-SSDOTTSWSA-N 308.313 1.170 0 40 DDAB CCNC(=O)c1cccc(NC(=O)COCC(F)(F)F)c1 32930968 WMFVWRYVKVEXJM-UHFFFAOYSA-N 304.268 1.954 0 40 DDAB C[C@@H](CNS(=O)(=O)N1CCCCCC1)Cn1cccn1 32935783 WSTZNAZGSXNSFI-ZDUSSCGKSA-N 300.428 1.230 0 40 DDAB CS(=O)(=O)N1CCc2cc(C(=O)OCc3ccoc3)ccc21 52747263 HIQIUAOVEYUBJZ-UHFFFAOYSA-N 321.354 1.959 0 40 DDAB Cc1cccc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1 53433446 UOATUCFMTBSPQP-UHFFFAOYSA-N 303.406 1.164 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)NCCNc2ncccn2)on1 47058363 QWDFCJOCZPVTIR-LBPRGKRZSA-N 316.365 1.732 0 40 DDAB C[C@H](NC(=O)Nc1nncs1)c1ccc2c(c1)CC(=O)N2 47157133 KGCUDAMBRYZIDM-ZETCQYMHSA-N 303.347 1.915 0 40 DDAB O=C(c1cccc2[nH]ncc12)N1CCN(c2ccccn2)CC1 42016375 KDKUXHCOPLROLH-UHFFFAOYSA-N 307.357 1.920 0 40 DDAB O=C(O)C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 37433247 HQBNJSSKVHMIDR-CYBMUJFWSA-N 309.749 1.967 0 40 DDAB COCCN1CCC[C@@H](NS(=O)(=O)c2ccccc2F)C1 78533043 ODPWLEGDTCEHCF-GFCCVEGCSA-N 316.398 1.215 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cccc(N2CCCS2(=O)=O)c1 23076364 YWFOPKXGHXDBGW-CQSZACIVSA-N 324.402 1.135 0 40 DDAB COCc1c(C(=O)N2CCNC(=O)C2)sc2cccc(F)c12 23420322 LTUIPCVRMHMPTI-UHFFFAOYSA-N 322.361 1.759 0 40 DDAB O=C(CN1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2 61758333 QPPMMHPWXGBRBJ-UHFFFAOYSA-N 306.450 1.382 0 40 DDAB CCOC(=O)COc1cc(/C=C(/C#N)C(N)=O)ccc1OC 6954750 GEECWJLJBMWPOY-WDZFZDKYSA-N 304.302 1.029 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccon1 84528881 MHSWYXMBBMJWBW-AWEZNQCLSA-N 313.357 1.496 0 40 DDAB CN(C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8479827 UPZCSEQZUZJDKK-UHFFFAOYSA-N 318.826 1.974 0 40 DDAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1nncn1C 43137691 QMIFQGNQUFPJLB-GHMZBOCLSA-N 306.370 1.071 0 40 DDAB COC(=O)c1ncc(O)c2c1C(=O)N(Cc1ccccc1)C2=O 1383616 HCGHWSHZVZYLRI-UHFFFAOYSA-N 312.281 1.370 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 55645353 VWOUWODMWRXMCQ-DZGCQCFKSA-N 322.430 1.566 0 40 DDAB CS[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 107063605 CUWZEABBBLBCPC-KWCYVHTRSA-N 323.466 1.582 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 43688530 ZBKJIZSIYBFYIE-OAHLLOKOSA-N 321.340 1.224 0 40 DDAB NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 26221618 ICVUJRZZYLMSPW-UHFFFAOYSA-N 301.268 1.438 0 40 DDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc21 20939873 UXAWYEJPIXQPJL-UHFFFAOYSA-N 320.370 1.988 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)cc1 12632161 LSQQEXGKJDTWRX-LLVKDONJSA-N 319.386 1.481 0 40 DDAB Cc1cc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c[nH]c1=O 95975692 DVYWJFBIVCQCBI-LBPRGKRZSA-N 313.361 1.479 0 40 DDAB C[C@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)S(C)(=O)=O 48126336 ITBSIZAWIHGDKZ-CHWSQXEVSA-N 310.419 1.062 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)ccn1 95981937 XZZALAXBOMWWPS-HNNXBMFYSA-N 306.410 1.868 0 40 DDAB O=C(NCc1cccc(N2CCCC2=O)c1)NCc1cc[nH]n1 48230104 VIIURYYYYGYZMO-UHFFFAOYSA-N 313.361 1.536 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1[C@@H]2CC[C@@H]1COC2 101467125 IVNNUUVMLAESRB-GHMZBOCLSA-N 311.359 1.010 0 40 DDAB COc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1OC(F)F 58168823 QLNKBJSPGVXWDD-SNVBAGLBSA-N 300.305 1.617 0 40 DDAB O=C(NCCNS(=O)(=O)c1ccccc1)Nc1cccnc1 27692576 LQBFRJBFGDDGOO-UHFFFAOYSA-N 320.374 1.182 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc2c1OCO2 58281931 LYRWRHMYOAPNPY-SNVBAGLBSA-N 322.361 1.945 0 40 DDAB O[C@@H](CN(Cc1cccs1)C[C@@H]1CCCO1)Cn1cccn1 44974926 CQGYLNQBQNXSED-GJZGRUSLSA-N 321.446 1.987 0 40 DDAB CN(Cc1ccccc1N1CCOCC1)c1ncnc2nc[nH]c12 44915576 STHJLDQFVWOMQR-UHFFFAOYSA-N 324.388 1.826 0 40 DDAB O=C(O)CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100664090 ZDJUKAJXDZBLHX-HTKHVQBFSA-N 303.358 1.685 0 40 DDAB O=C(Nc1nccs1)N[C@H]1CCCN(c2ncccn2)C1 44971802 FTLFGWVWLAHJLU-JTQLQIEISA-N 304.379 1.724 0 40 DDAB CCNC(=O)c1ccc(CNC[C@@H]2CNc3ccnn3C2)cc1 58304923 IGVDRAFVCWFTSI-CQSZACIVSA-N 313.405 1.464 0 40 DDAB CCCCn1nnnc1CN1CCC(c2ccnn2C)CC1 58343780 HMSYLCVAUBOHDJ-UHFFFAOYSA-N 303.414 1.586 0 40 DDAB Cc1noc(C)c1CN1CC[C@H](N2CCCC2)C[C@H]1C(=O)O 107779233 KMVILEHQMGKYTH-ZFWWWQNUSA-N 307.394 1.805 0 40 DDAB CCC(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1 58393835 RACLVLHFTFRHJX-MRXNPFEDSA-N 305.422 1.510 0 40 DDAB CCOC(=O)C1(NC(=O)c2cn3cccnc3n2)CCCCC1 58410661 ZKNVJUCHMSDSGC-UHFFFAOYSA-N 316.361 1.725 0 40 DDAB Cc1ccccc1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 10028003 WGLWQGJGIJXOCT-UHFFFAOYSA-N 318.398 1.501 0 40 DDAB O=S1(=O)C[C@H]2N=C(Nc3ccc(F)c(F)c3)S[C@H]2C1 2463043 JLZSQDSKGFHSJJ-ZJUUUORDSA-N 304.343 1.645 0 40 DDAB C[C@H](CNC(=O)c1cccnc1N1CCCC1)N1CCOCC1 46269019 JRXZABIENSIYJQ-CQSZACIVSA-N 318.421 1.132 0 40 DDAB O=C(OC[C@@H]1CCCO1)c1ccc(CN2C(=O)CNC2=O)cc1 84398228 YYGRCQXTTJDNBL-ZDUSSCGKSA-N 318.329 1.074 0 40 DDAB O=C(NCCNc1ncccn1)NC[C@H](O)c1ccc(F)cc1 48313756 NCQLGMQOYSIQJC-ZDUSSCGKSA-N 319.340 1.060 0 40 DDAB Cc1noc([C@@H](C)N2CCN(Cc3nc(C(C)C)no3)CC2)n1 46510662 GMSNMRZMQONCJL-LLVKDONJSA-N 320.397 1.763 0 40 DDAB Cn1cc([C@@H]2OCC[C@@H]2CN[C@H](C(N)=O)c2ccccc2)cn1 84317423 LDQZMJMJVIWPSX-VNQPRFMTSA-N 314.389 1.314 0 40 DDAB Nc1cc(N)nc(SCC(=O)NCc2ccccc2Cl)n1 3605734 ADZWEPXKUPWGFU-UHFFFAOYSA-N 323.809 1.703 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1 13028405 UJVHLUFDHZXNJW-AAEUAGOBSA-N 313.375 1.019 0 40 DDAB CN1CCCN(C[C@@H](CC(=O)Nc2ccccc2)C(=O)O)CC1 71285551 YDJGLRLSBJKJDG-CQSZACIVSA-N 319.405 1.354 0 40 DDAB CCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O 9108892 MGGFNEKUEPENEK-UHFFFAOYSA-N 306.318 1.391 0 40 DDAB biogenic CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)nn2C)c1 65077628 IBIXJUSAMUSITF-LLVKDONJSA-N 316.361 1.954 0 40 DDAB CN(Cc1noc(C2CCOCC2)n1)C1(C(N)=O)CCCC1 93211701 JAVQYRNUODHSLK-UHFFFAOYSA-N 308.382 1.194 0 40 DDAB COCCN(C(=O)c1nn(C)c(=O)c2ccccc12)C1CC1 65418985 GSDUOLPXSJEODM-UHFFFAOYSA-N 301.346 1.185 0 40 DDAB Cn1cc(C(=O)N[C@H]2CCc3nccn3C2)c(C(F)(F)F)n1 65474980 DQTYIMPPGKLXIW-QMMMGPOBSA-N 313.283 1.380 0 40 DDAB Cn1c(=O)n(CCC(=O)NC2CCOCC2)c2ccccc21 65548383 VXJDMTLPYUGBLD-UHFFFAOYSA-N 303.362 1.025 0 40 DDAB CC(C)[C@@H](C(=O)N1CCCC1)n1nnc2ccccc2c1=O 5323568 XSHWJKXFOHQTIS-AWEZNQCLSA-N 300.362 1.611 0 40 DDAB CCc1cccc(OC[C@H](O)CN(CCOC)CCOC)c1 6552542 KKYYGSMEKXEFPH-MRXNPFEDSA-N 311.422 1.584 0 40 DDAB COC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 6653738 REQNROBFHYZIEH-GFCCVEGCSA-N 317.393 1.615 0 40 DDAB CCOC(=O)C1CCN(C(=O)CN(C)[C@@H]2C=CCCC2)CC1 66497863 WEOXYDLSWNOMKF-OAHLLOKOSA-N 308.422 1.829 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)NC(=O)NC1CCCC1 7495092 MILIINTUYLMGAZ-UHFFFAOYSA-N 320.374 1.226 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCNC(=O)C1 95415662 NCPDQRWFAPKRIV-UKRRQHHQSA-N 315.417 1.770 0 40 DDAB O=S(=O)(NCCc1ncn[nH]1)c1ccc(Cl)cc1F 80640963 QWRGNGNOMRFMHL-UHFFFAOYSA-N 304.734 1.118 0 40 DDAB O=C(CCn1cccn1)NCc1cccc2c1OCCCO2 95428316 VXQBARWFQAVCNW-UHFFFAOYSA-N 301.346 1.751 0 40 DDAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)c2ccccc2N1 8192648 RSUVSVJCDHLAMY-MRXNPFEDSA-N 306.329 1.691 0 40 DDAB CC(C)c1noc(CS(=O)(=O)CCCN2CCCC2=O)n1 69324440 VULDPNSSKBAUEW-UHFFFAOYSA-N 315.395 1.120 0 40 DDAB Cc1nn(-c2ccccc2)cc1C(=O)NCCC(=O)N(C)C 69489990 DXXSPARVAJDTTH-UHFFFAOYSA-N 300.362 1.389 0 40 DDAB Cc1nc2ccc(C(=O)N3CCn4c(C)nnc4C3)cc2nc1C 69484981 BMKBUFWSXZQJEY-UHFFFAOYSA-N 322.372 1.803 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 71888999 ZRPOVJQCCKSXRN-LBPRGKRZSA-N 302.374 1.687 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1CCN(C)CC1 69509772 OVUXRQWZCLRQMW-GFCCVEGCSA-N 313.442 1.748 0 40 DDAB CCc1nnc2n1CCN(CC(=O)N(C)Cc1ccsc1)C2 69598897 VSTNYFQCEXMGGC-UHFFFAOYSA-N 319.434 1.376 0 40 DDAB CC[C@@H](N)C(=O)N1CCCN(CCCc2ccccc2)CC1 95466772 ZQOAMZQWUSBIMG-QGZVFWFLSA-N 303.450 1.891 0 40 DDAB Cn1cc(CN2CCN(CCOc3ccccc3F)CC2)cn1 69656021 CEFDAMPGMYGOEA-UHFFFAOYSA-N 318.396 1.756 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)n1 8774377 HKAFBYPYZWDGQL-UHFFFAOYSA-N 322.324 1.926 0 40 DDAB CCCNC(=O)CCNC(=O)[C@H](C)Oc1ccc(OC)cc1 72006124 UCZZDZDSOLYHAY-LBPRGKRZSA-N 308.378 1.495 0 40 DDAB CC(C)[C@H](CNc1nc2ccccc2c(=O)[nH]1)N1CCOCC1 97994987 TVKAXGIADDYVHP-HNNXBMFYSA-N 316.405 1.692 0 40 DDAB CCc1nc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cs1 72269330 BOJVWRMFSQZYIC-KGLIPLIRSA-N 323.462 1.306 0 40 DDAB CS[C@H](CO)[C@H](C)NC(=O)c1cncc(Br)c1 89598357 SXKXZLJNYRLJKC-OIBJUYFYSA-N 319.224 1.686 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCCCN3C)CCO2)n1 76046644 FTCSYVVSVPMWBX-STQMWFEESA-N 321.425 1.141 0 40 DDAB Cn1ccc2c(C(=O)NS(=O)(=O)c3cccnc3)cccc21 76020504 IBMPOALJFTVSJF-UHFFFAOYSA-N 315.354 1.692 0 40 DDAB COC(=O)c1cn([C@@H]2CCC[C@H](C(=O)O)C2)cc2c(O)nnc1-2 524735105 VVOMHAGITZOHII-DTWKUNHWSA-N 319.317 1.691 0 40 DDAB Cc1cc(CCC(=O)NC(C)(C)CO)nc([C@@H]2CCCN2C)n1 72366897 VJDKFOSAPYXHLD-AWEZNQCLSA-N 320.437 1.371 0 40 DDAB COc1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)cc1Cl 70817740 VLEGZGROVGQETE-UHFFFAOYSA-N 318.782 1.179 0 40 DDAB Cc1cc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c(C)o1 70640474 CYKGWJBBZAMLEV-UHFFFAOYSA-N 316.313 1.880 0 40 DDAB Cc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1 72260016 OEEIWDOLGMTKFZ-UHFFFAOYSA-N 324.384 1.907 0 40 DDAB Cc1cc(F)ccc1NC(=O)C(=O)NCc1nc(C2CC2)no1 77821511 CTVHTVCMIOZUTF-UHFFFAOYSA-N 318.308 1.649 0 40 DDAB Cc1ncc2n1C[C@@H](C(=O)NCc1nnc(C3CC3)s1)CC2 569108336 KCWRJWWCXFFDSA-NSHDSACASA-N 317.418 1.799 0 40 DDAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223634541 AIUPFBKVXRAXFP-HUUCEWRRSA-N 316.430 1.775 0 40 DDAB CC[C@H](NC(=O)NC[C@H]1CC[C@H](O)C1)c1c(C)nn(C)c1C 225585839 ZFUIQJLHHZFNIJ-IHRRRGAJSA-N 308.426 1.948 0 40 DDAB O=C(c1ccncc1)N1CCCn2c(nnc2Cn2cccc2)C1 96084775 XHGOSGZMQSMMGH-UHFFFAOYSA-N 322.372 1.569 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1Cc1cnn(C)c1 96062039 PDDUZPWQIPFSOF-ZDUSSCGKSA-N 311.393 1.438 0 40 DDAB Nc1ccc(S(=O)(=O)N2CCC[C@H](n3cccn3)C2)cc1 97375636 HSXBFTWDTLDMSX-ZDUSSCGKSA-N 306.391 1.491 0 40 DDAB Cc1occc1C(=O)N1CCn2cc(Cn3cncn3)nc2C1 96067992 CNNMZHPBFPPGCX-UHFFFAOYSA-N 312.333 1.080 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1Cl 96420326 XZEZGAVXDFMGNK-MFKMUULPSA-N 310.781 1.946 0 40 DDAB COc1ncnc2c1CCN(C(=O)NCc1ccccc1)CC2 96255594 LUMCQRPXQADCPK-UHFFFAOYSA-N 312.373 1.796 0 40 DDAB CC[C@H](C)[C@H](CO)NC(=O)CCn1cnc2ccccc2c1=O 230203509 OPXDSIWDYVTYCM-WFASDCNBSA-N 317.389 1.310 0 40 DDAB biogenic Cn1cc(N2CC[C@@]3(CCN(CC4CCOCC4)C3)C2=O)cn1 96050552 AOCKYPLBALOMNB-QGZVFWFLSA-N 318.421 1.276 0 40 DDAB COc1ccc(-c2nnc(NC(=O)CNC3CC3)s2)cc1 97234173 TWYANCYBYLTYGG-UHFFFAOYSA-N 304.375 1.904 0 40 DDAB O=C(c1cnccn1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96239168 VDYVSCOOTQCJQL-QGZVFWFLSA-N 323.356 1.141 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C1CCOCC1 96201268 PNTRGWUCXILHKS-CYBMUJFWSA-N 301.394 1.684 0 40 DDAB Cc1nc2ncnn2c(Nc2ccc3c(c2)n(C)c(=O)n3C)c1C 96456171 LDMWDPQUJLVSEN-UHFFFAOYSA-N 323.360 1.675 0 40 DDAB O=C(c1ccoc1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247857167 KWQOXOTZGLVHEC-ZDUSSCGKSA-N 315.329 1.522 0 40 DDAB CC(C)n1nccc1C(=O)N1CCO[C@@H](c2cnccn2)C1 257210182 BTOSIFLBDAHMHT-CQSZACIVSA-N 301.350 1.468 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2cccc3cccnc23)CCO1 257258145 KSNKFTRJNBATEO-SFHVURJKSA-N 313.401 1.914 0 40 DDAB Cc1c(CCC(=O)N2CCO[C@H](c3cnccn3)C2)cnn1C 257322243 WFEKEXCINAERBO-HNNXBMFYSA-N 315.377 1.051 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2scnc2C)O1 252510129 ZBWJCKZJDVXFDK-YJQGPUDQSA-N 324.402 1.775 0 40 DDAB Cc1nc2ccc(C(=O)N3C[C@H](O)[C@]4(CCCO4)C3)cc2[nH]1 257207532 BIESNVNSUPZGFU-HOCLYGCPSA-N 301.346 1.237 0 40 DDAB CCCc1cc(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)no1 257270408 MUCDVLBXKJUNQL-CQSZACIVSA-N 316.361 1.818 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 257278379 OCAJBSHPPXDHRY-ZDUSSCGKSA-N 311.389 1.876 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cnco2)n1 257225205 FFHDOYQCZKBPIG-ZDUSSCGKSA-N 315.333 1.078 0 40 DDAB COCCC(=O)NCc1cn(-c2ccccc2C(=O)O)cn1 257337677 YTXRKRLSSIMYMF-UHFFFAOYSA-N 303.318 1.223 0 40 DDAB CNc1nccnc1[C@@H]1CN(CC2(O)CCCCC2)CCO1 257274123 NJQSUGWQEGKLNR-ZDUSSCGKSA-N 306.410 1.587 0 40 DDAB Cc1nc(C[C@H]2CCCN(c3ccncn3)C2)cc(C(N)=O)n1 257213630 CILADCFMPOCCEC-GFCCVEGCSA-N 312.377 1.133 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cn3c(C)cccc3n2)[C@H]1O 257228754 FVCCXPQVAHLYCP-IIAWOOMASA-N 317.389 1.643 0 40 DDAB O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccoc1 285547333 IFPCGSSRGBFPRV-YPMHNXCESA-N 315.391 1.126 0 40 DDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C)C1 32920202 UMYBRJVEOCJWNP-LBPRGKRZSA-N 311.403 1.730 0 40 DDAB COC[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)OC 95994584 UTSFQYJOIJCBHN-HNNXBMFYSA-N 305.374 1.412 0 40 DDAB CCc1ncnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1F 301877173 SNTKVEKFEXQJEE-GFCCVEGCSA-N 322.384 1.253 0 40 DDAB CCOc1ccccc1CCC(=O)O[C@H](C)C(=O)NC(N)=O 5151749 YIXBIEJMWAERKP-SNVBAGLBSA-N 308.334 1.145 0 40 DDAB O=C(O[C@H]1CCOC1=O)c1ccc(S(=O)(=O)C(F)F)cc1 5428383 GPEMCNUQBMDJFZ-VIFPVBQESA-N 320.269 1.155 0 40 DDAB O[C@H]1[C@H](NCC2CCCCC2)[C@H]2CO[C@H](O2)[C@@H]1N1CCCC1 12529640 HCGAZGUNOTUNAS-OVYGPGRDSA-N 310.438 1.105 0 40 DDAB biogenic,in-vitro O=C(c1ccccc1)c1cc[n+]2c(c1)ncc1sc(=O)[nH]c12 13764993 VVMJDCABGGPBBO-UHFFFAOYSA-O 308.342 1.954 0 40 DDAB C[C@H](NC(=O)c1ccncc1)c1cc(=O)[nH]c(-c2cccnc2)n1 19458469 ANHYAULLBCWEQB-NSHDSACASA-N 321.340 1.718 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 9918317 IPABOUZQEXUYLA-NSHDSACASA-N 324.808 1.922 0 40 DDAB COc1cccc([C@@H](CNC(=O)NC2CCOCC2)OC)c1 225558634 HSDMOQXUMUUYGK-OAHLLOKOSA-N 308.378 1.861 0 40 DDAB O=C(O)CNC(=O)c1ccc(NC(=O)c2cccs2)cc1 1045774 FDTUOGWJIOBAGT-UHFFFAOYSA-N 304.327 1.815 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 5209864 ZRINPYZPDWINSX-QMMMGPOBSA-N 305.363 1.408 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)c1 238851245 JINFGWJBMHTYPB-AWEZNQCLSA-N 322.434 1.898 0 40 DDAB Cc1c(Cl)c(C(=O)NC[C@@H](O)COc2ccccc2)nn1C 572951225 LUWIKHLXLUKWOD-LLVKDONJSA-N 323.780 1.552 0 40 DDAB O=C1C[C@]2(CCN(C(=O)c3cnc4ccsc4c3)C2)CN1 574971427 NEZNWVHSPJMLCT-OAHLLOKOSA-N 301.371 1.649 0 40 DDAB CC(=O)N1CCC[C@@H](c2nccnc2-c2cnc3ncccn23)C1 2037834895 DWMDLNDRKMLVHU-CYBMUJFWSA-N 322.372 1.912 0 40 DDAB CN(C)c1cccc(C(=O)N2CCCN([C@H]3CCOC3)CC2)c1 1565521974 LCEIJXHYLMTOLK-KRWDZBQOSA-N 317.433 1.689 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN([C@H]2CCOC2)CC1 1565521979 HBZPDWCTKRKASD-CVEARBPZSA-N 318.417 1.777 0 40 DDAB FC(F)(F)c1nnc2ccc(-n3nnc4ccccc43)nn12 77248 NLMXOVDKTMUSLJ-UHFFFAOYSA-N 305.223 1.877 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1ccc(OC)cc1)C(F)(F)F 12364200 NIUJJAWPJUAMLM-GFCCVEGCSA-N 320.267 1.675 0 40 DDAB CCc1cc2c(N3CCN(CCO)CC3)nc(C)nc2s1 20051424 DFSXVYJYCBRPGA-UHFFFAOYSA-N 306.435 1.676 0 40 DDAB Cc1nccc(-c2cccc(NC(=O)c3ccc(=O)[nH]n3)c2)n1 30714832 NPRVYMDKFQCGCE-UHFFFAOYSA-N 307.313 1.788 0 40 DDAB NS(=O)(=O)c1cccc(CNC(=O)NC2CCCCC2)c1 40218805 OJVIAPRCMZOLMG-UHFFFAOYSA-N 311.407 1.466 0 40 DDAB Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)on1 40485506 SNBGBQYMJNVEHO-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB O=C(/C=C/c1ccc(F)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 31612440 HYFQCWFCJDTVNO-YWNRKNDBSA-N 317.769 1.796 0 40 DDAB N[C@@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 20475527 SRYCDCBCOGLVDD-SECBINFHSA-N 319.224 1.561 0 40 DDAB CCOc1ccc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2c1 20434118 NWZINKVMCQOTGV-KWQFWETISA-N 307.375 1.356 0 40 DDAB CC(C)c1cc(C(=O)NCc2nnc3n2CCCCC3)n[nH]1 40553457 KCKMCAKPHKJBSV-UHFFFAOYSA-N 302.382 1.781 0 40 DDAB Cc1cc(NC(=O)c2c(C(=O)O)cnn2C)n(CC(F)F)n1 20616725 RBWPQEKKJBGZCG-UHFFFAOYSA-N 313.264 1.141 0 40 DDAB CNS(=O)(=O)c1ccc(F)c(C(=O)OC[C@H]2CCCO2)c1 32860232 UEIZSHUZAXYXGH-SECBINFHSA-N 317.338 1.070 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCC1=CCCCC1 102698181 YFWSQQKXWNMTSQ-HUUCEWRRSA-N 316.401 1.944 0 40 DDAB CC(C)(C)CCNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103155790 WAXXTNBBBBSXIR-IMIFBBOLSA-N 304.390 1.346 0 40 DDAB CC[C@@H](C)C1=NN(C(=O)c2ccccc2)[C@@](O)(C(=O)OC)C1 55004 UBGPHXJAIPYFNH-BZNIZROVSA-N 304.346 1.796 0 40 DDAB C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)n1cncn1 46931598 DUGCRWQMJIEOBU-MRVPVSSYSA-N 315.255 1.814 0 40 DDAB O=C(c1ccc(F)cc1)N1CCC2(CC1)NCCc1nc[nH]c12 8973121 MHBQQNWPJMYGRT-UHFFFAOYSA-N 314.364 1.826 0 40 DDAB CN1CCN(CCCNC(=O)c2cc3c(s2)CCC3)CC1 61524279 VRGQRLCFXGTFCR-UHFFFAOYSA-N 307.463 1.604 0 40 DDAB Cn1c(=O)n(CCn2c(=O)n(C)c3ccccc32)c2ccccc21 1564343 VOBSDNJKYQYUKU-UHFFFAOYSA-N 322.368 1.694 0 40 DDAB CCOC(=O)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(C)C 1761443 MXYBMLFDVFOETP-QWRGUYRKSA-N 316.423 1.000 0 40 DDAB COC(=O)[C@H](C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1857016 YUJFJCXRWYSCJQ-JTQLQIEISA-N 319.313 1.158 0 40 DDAB biogenic CS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 23155587 OIQRLSUBHRMKNZ-UHFFFAOYSA-N 304.371 1.458 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)[C@H](C)n1cncn1)N(C)C 42474186 WPRAOMMYEUKCLZ-GXTWGEPZSA-N 317.393 1.267 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 23623937 CWTMPGCGYGUVDJ-HNNXBMFYSA-N 321.421 1.547 0 40 DDAB CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)NC(=O)NC1 8279014 XDFOTPMJIZPNFK-UHFFFAOYSA-N 318.329 1.398 0 40 DDAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCN1CCOCC1 8495055 OMOOTLMYTKWEHD-CQSZACIVSA-N 322.405 1.301 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(Cl)c[nH]1 24681770 KUQLFCQPJRJLBU-SNVBAGLBSA-N 319.814 1.212 0 40 DDAB Cn1nc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1=O 24859844 KWJIHUFHDWORDK-UHFFFAOYSA-N 301.302 1.194 0 40 DDAB CCOC[C@H](O)CN1CCN([C@H](C)c2ccccc2OC)CC1 95396839 FGRPGGYSDNDAOB-HZPDHXFCSA-N 322.449 1.771 0 40 DDAB Cc1ccc2cccc(OCc3nc(N)nc(N(C)C)n3)c2n1 12542335 VUEJDVIWVKSDHJ-UHFFFAOYSA-N 310.361 1.955 0 40 DDAB NC(=O)CCCNC(=O)[C@H](OCC(F)(F)F)c1ccccc1 56981926 YKURETIMNRZPIW-GFCCVEGCSA-N 318.295 1.688 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)N1CCC(C(N)=O)CC1 26518485 DMQLRMKLZNLFSE-ZDUSSCGKSA-N 303.406 1.915 0 40 DDAB C[C@@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 27034212 NMDMAUJZYNTZNA-VXGBXAGGSA-N 317.389 1.679 0 40 DDAB COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OC(F)F 58180699 ZYPYIQAGMSYBGD-SECBINFHSA-N 314.288 1.305 0 40 DDAB C[C@H](NC(=O)CCc1ccccc1Cl)C(=O)N1CCOCC1 58226967 VPCLZUCUABSNCA-LBPRGKRZSA-N 324.808 1.636 0 40 DDAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccncc1 58268194 FMQZMUFRAOBHLF-MRXNPFEDSA-N 304.438 1.570 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 44942458 KJXRISYRGCHKIV-QMTHXVAHSA-N 302.334 1.143 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]2CCCN2)s1 20707602 OEGCWAHHLMKBRI-JTQLQIEISA-N 307.419 1.523 0 40 DDAB Cc1nc(NC(=O)CCNC(=O)c2cnccn2)sc1C 72405227 CCJVEXIHGIVZBV-UHFFFAOYSA-N 305.363 1.309 0 40 DDAB CCNC(=O)NC(=O)CNC(C)(C)c1ccc2c(c1)OCO2 58356591 KQPNBZZNUZPTFA-UHFFFAOYSA-N 307.350 1.086 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(-n2cnnn2)cc1 58323160 OSFPZLFDWZVTES-CHWSQXEVSA-N 314.393 1.864 0 40 DDAB Cc1ccn(CC(=O)NCCOc2ccc(F)cc2)c(=O)c1 72302033 LITORWCJRUEQHT-UHFFFAOYSA-N 304.321 1.491 0 40 DDAB Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC2)C1 108531518 HFJSZEDIRLOTDR-DOTOQJQBSA-N 302.422 1.691 0 40 DDAB NC(=O)[C@@H]1CC(C(=O)NCc2ccco2)=NN1c1ccccc1 29106943 AINJLDHCNTXVSS-AWEZNQCLSA-N 312.329 1.016 0 40 DDAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1 2628937 OSTDECAOWLYLBF-UHFFFAOYSA-N 322.342 1.678 0 40 DDAB O=C(CNC(=O)COc1ccccc1)NCc1ccccc1F 3416415 XMJCIHXLSSPWIJ-UHFFFAOYSA-N 316.332 1.637 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(F)c(F)c1 3618008 CZHALPRPBAFGBZ-UHFFFAOYSA-N 316.267 1.708 0 40 DDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ccc2nnnn2n1 13009580 FEKCQGRYQXMGJI-NSHDSACASA-N 321.348 1.297 0 40 DDAB COc1ccc(NC(=O)CSc2n[nH]c(N)n2)c(OC)c1 9217498 SXWANQIOIMXUQW-UHFFFAOYSA-N 309.351 1.135 0 40 DDAB CC(C)(NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)O 65415684 PGYMLIAPRNZXFK-UHFFFAOYSA-N 313.357 1.954 0 40 DDAB O[C@H](CNCc1ccccn1)COc1ccc2c(c1)OCO2 6393683 QAQWMKKOKBTDMR-CYBMUJFWSA-N 302.330 1.340 0 40 DDAB Cn1nccc1C1CCN(CC(=O)Nc2nccs2)CC1 65609620 CJFNOPDVICGDAZ-UHFFFAOYSA-N 305.407 1.695 0 40 DDAB CC(C)[C@@H](NC(=O)c1c(F)cc(OC(F)F)cc1F)C(N)=O 97010256 OQWOSRNPLMOBHE-SNVBAGLBSA-N 322.258 1.806 0 40 DDAB CCCn1c(C)nnc1CN1CCC[C@@H](C2(C)OCCO2)C1 97086623 GKGHRUGLSFVRAO-CQSZACIVSA-N 308.426 1.972 0 40 DDAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(C)o1 5992369 LNSKUFOCJRBAFA-UHFFFAOYSA-N 316.313 1.791 0 40 DDAB CSc1cccc(NC(=O)CSc2nnc(C)n2N)c1 5993282 RMOMLCWNUWNMCS-UHFFFAOYSA-N 309.420 1.753 0 40 DDAB Cc1cccc(C(=O)NCCC(=O)OCc2nnc(C)o2)c1 15565481 SLYYUAAOKZLLHP-UHFFFAOYSA-N 303.318 1.550 0 40 DDAB CCn1nc(C)c(CNC[C@@H]2COC3(CCOCC3)O2)c1C 96494776 MCYISYOTXYKVQH-CQSZACIVSA-N 309.410 1.532 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C12CCC2 96423415 FNOBHHWYEPBWLG-UONOGXRCSA-N 315.373 1.934 0 40 DDAB Cc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1C 96494126 RRKHCWUBHSVVKA-LBPRGKRZSA-N 310.419 1.409 0 40 DDAB CCOC(=O)CCCCN1CCN(c2cc(C)nc(C)n2)CC1 96417409 AZBKGHLDGIMFHY-UHFFFAOYSA-N 320.437 1.949 0 40 DDAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 7973995 OCQBLDZKHMZPFQ-OAHLLOKOSA-N 320.389 1.308 0 40 DDAB Cc1n[nH]cc1CNC[C@H]1CN(Cc2ccccc2)CCO1 71819518 ZOWHESMMVBAPCV-KRWDZBQOSA-N 300.406 1.709 0 40 DDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN2CCCC[C@@H]2C1 71839952 RWCMPGRDJJBCIM-CQSZACIVSA-N 311.385 1.838 0 40 DDAB O[C@H](COc1ccc(F)cc1)CN1CCC[C@H]1Cn1cccn1 71875599 DZNXCXDYAZFUKY-HOTGVXAUSA-N 319.380 1.927 0 40 DDAB c1cnnc(N2CCC[C@H]2CNCc2cccc3c2OCO3)c1 71877236 QJXBZZPHCMGUEB-AWEZNQCLSA-N 312.373 1.964 0 40 DDAB CCc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)n(C)n1 83820355 CNOCVTOCKJWFHJ-GFCCVEGCSA-N 316.361 1.878 0 40 DDAB CN1C[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C)CCC1=O 83881661 QCFYQXPGGLHGMW-CQSZACIVSA-N 316.405 1.811 0 40 DDAB CCCCn1c(O)nnc1S(=O)(=O)Cc1cnc(C)s1 69509091 KARAFNWHYYARBZ-UHFFFAOYSA-N 316.408 1.523 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 69841822 WYKQBYWSZXVSSW-UKRRQHHQSA-N 306.410 1.076 0 40 DDAB Cc1nc(CN2CCN(c3ccc4nncn4n3)CC2)oc1C 69877211 OEDPAQFFXXNBMH-UHFFFAOYSA-N 313.365 1.051 0 40 DDAB C[C@@H](Cn1cccn1)NCc1csc(CC(=O)N(C)C)n1 69870907 WEZBVBVHERVVSP-NSHDSACASA-N 307.423 1.149 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccnn12 72159219 FMGYFFCAZUDCSC-INIZCTEOSA-N 320.352 1.387 0 40 DDAB O[C@@H](CN(c1ccc2nnnn2n1)C1CC1)c1ccc(F)cc1 95409791 KLBHNLBNDDBKTF-ZDUSSCGKSA-N 314.324 1.361 0 40 DDAB CNC(=O)CN1CCC(CN(C)c2nc(C)nc(C)c2C)CC1 95416541 NSHFFOMNTZHSRV-UHFFFAOYSA-N 319.453 1.296 0 40 DDAB O=C(c1cnn(C2CCCCC2)c1)N1CCC(O)(C(=O)O)CC1 95970756 KPKODZAQLRAZDU-UHFFFAOYSA-N 321.377 1.440 0 40 DDAB CC(=O)NCCCS(=O)(=O)c1ccc(Br)cn1 95977402 QASXTFUEFJRAHB-UHFFFAOYSA-N 321.196 1.144 0 40 DDAB CC[C@H](Sc1ccccc1)C(=O)N1CCO[C@@H](C(N)=O)C1 95957362 FVASFKBYMYDFIO-OLZOCXBDSA-N 308.403 1.270 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1Cc1cnn(-c2ccccc2)n1 89857645 WKCMQWSHECHKGX-CQSZACIVSA-N 311.345 1.584 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C12CCC2 89985981 WSBYKRLAJHAPBU-NEPJUHHUSA-N 315.377 1.510 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1csc(-c2ccccn2)n1 89938832 ROROTUBNMYCRJD-LLVKDONJSA-N 302.403 1.981 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)c3c[nH]c(C(C)C)n3)CCO2)n1 76051417 OQJMFZPSRQLYOY-LLVKDONJSA-N 304.354 1.173 0 40 DDAB COCCNC(=O)NCC1CCN(Cc2ccccc2)CC1 38489568 VLJMOBOXWODQJS-UHFFFAOYSA-N 305.422 1.844 0 40 DDAB CCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408594438 RWHVPNVRBCORJB-NSHDSACASA-N 314.407 1.277 0 40 DDAB COC(=O)c1cc(NC(=O)CC(N)=O)ccc1N1CCCCC1 521394824 OMNVJGAOYIPLBH-UHFFFAOYSA-N 319.361 1.277 0 40 DDAB C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21)n1cccc1 524730075 UTHRNGZAIOAHSM-XUWVNRHRSA-N 315.417 1.909 0 40 DDAB biogenic O=C(NCc1nccs1)N1CCC[C@H](CN2CCOCC2)C1 78995017 VZBSNPSSAMEAMX-CYBMUJFWSA-N 324.450 1.397 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218471333 BPXWDRQVNSJUND-GMXVVIOVSA-N 302.323 1.054 0 40 DDAB CC(=O)NC[C@H]1CCN(c2cc(C)nc(-c3ccccn3)n2)C1 521398448 HIWVLUDDFWPMPR-CQSZACIVSA-N 311.389 1.809 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)c1cn2cc(C)ccc2n1)C(=O)OC 36569621 AESPOARBDPHXJE-RISCZKNCSA-N 303.362 1.960 0 40 DDAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218563015 UEMYJSQEOMJZMY-HRCADAONSA-N 311.447 1.884 0 40 DDAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccsc1 56906440 XZFRANPRDOEARX-LLVKDONJSA-N 310.400 1.276 0 40 DDAB CC1(c2[nH]ncc2C(N)=O)CCN(C(=O)c2cncs2)CC1 72388916 RHYDSXMDVXFBHG-UHFFFAOYSA-N 319.390 1.159 0 40 DDAB COC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238277 VZHLDMMLWDLLCG-CJNGLKHVSA-N 318.373 1.194 0 40 DDAB Cc1cc(Nc2cc(C)on2)nc([C@H]2CCN(CC(N)=O)C2)n1 72383090 XKMYMWRWIRODDO-NSHDSACASA-N 316.365 1.100 0 40 DDAB COCC(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C)n1 72378462 FZOJSDWTTDPSCK-ZDUSSCGKSA-N 301.350 1.281 0 40 DDAB CCCC[S@](=O)C[C@@H]1CO[C@@H](C[S@@](=O)CCCC)CO1 35326130 WDTXZNJFCMZNEA-RYMBOPBQSA-N 324.508 1.868 0 40 DDAB O=C(/C=C/c1ccnc2ccccc12)NCC1(O)CCOCC1 75229221 GCPKQMIRHPRRBR-AATRIKPKSA-N 312.369 1.906 0 40 DDAB Cc1cnc(CCNC(=O)[C@@H]2CCN(c3ncccn3)C2)s1 72352817 YFFOYEFIIRMPEA-GFCCVEGCSA-N 317.418 1.427 0 40 DDAB COC(=O)CCCNC(=O)/C=C/c1ccc(OC)cc1OC 49985209 PDFHFKNVBZCVLB-VQHVLOKHSA-N 307.346 1.786 0 40 DDAB CN(C)CCCn1c(=O)nc(N)c2c3c(sc21)CCCC3 40268584 PAESDGSVNCXMNJ-UHFFFAOYSA-N 306.435 1.871 0 40 DDAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCOCC1 225438978 QALMTDYHUQDIPJ-NSHDSACASA-N 302.330 1.867 0 40 DDAB biogenic,in-vitro CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3ccoc3)C2)C1=O 96073983 ODMRXLKGTFIARM-QGZVFWFLSA-N 319.405 1.182 0 40 DDAB Cn1cc(CN2CCc3c(nnn3C)[C@@H]2COCC2CC2)cn1 96068725 CQUYZPGYTODIEG-HNNXBMFYSA-N 316.409 1.075 0 40 DDAB CN1C(=O)CCC12CCC(NC(=O)NCc1cccnc1)CC2 96228528 NRWQIUAYHJETKO-UHFFFAOYSA-N 316.405 1.814 0 40 DDAB CC(C)CC1(CNC(=O)CS(=O)(=O)N(C)C)CCCC1 96502394 BQBNNNWUGIHRKH-UHFFFAOYSA-N 304.456 1.601 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncccn4)C[C@@H]32)C(=O)N1CC 96261604 SPBJJMHJPZIVEY-IIYDPXPESA-N 313.405 1.732 0 40 DDAB CN(C)CCNC(=O)c1cc2c(s1)CCN2C(=O)C1CC1 96146817 YYMBKHFAHCLHIC-UHFFFAOYSA-N 307.419 1.339 0 40 DDAB c1cn(Cc2nnn3c2CN(Cc2ccsc2)CCC3)cn1 96259530 FYVQOAFGDNBHOE-UHFFFAOYSA-N 314.418 1.990 0 40 DDAB CCOC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)C1CC1)C2 96056869 HWOJBRVLMYQCIR-KBPBESRZSA-N 303.424 1.386 0 40 DDAB O=C(Cn1ccnn1)/N=c1\sccn1Cc1ccccc1F 96455188 SIHHKLFDZQQONP-VKAVYKQESA-N 317.349 1.456 0 40 DDAB CN(C)CCO[C@H]1CN(C(=O)Cc2ccccc2)[C@@H]2COC[C@@H]21 96064164 NZBHCYTXNNIETK-BBWFWOEESA-N 318.417 1.033 0 40 DDAB O=C(NC1CCC1)[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 96038776 UOKUJPPXUBYYFQ-CZUORRHYSA-N 321.446 1.793 0 40 DDAB COc1ccc(CNC(=O)Cn2cc(OC)c(=O)cc2C)cc1 96116402 FUQJSGMGUTWZOJ-UHFFFAOYSA-N 316.357 1.490 0 40 DDAB biogenic CN(C)C(=O)N1CC[C@H](F)[C@@]2(CCN(C(=O)c3ccco3)C2)C1 96241235 YPTLUKGMJJSZSU-XJKSGUPXSA-N 323.368 1.837 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 96107950 CWGRILPVXSRLOM-ZWKOTPCHSA-N 314.429 1.581 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccc(NC=O)nc2)CC1 95937380 WNPFPJIBZZKZNB-UHFFFAOYSA-N 306.366 1.707 0 40 DDAB CC(=O)N1CCC2(CC1)[C@@H]1CN(CC(C)C)C[C@@H]1C(=O)N2C 96143538 WHNSMOSHQQRHPE-LSDHHAIUSA-N 307.438 1.044 0 40 DDAB COC[C@H]1CCOC12CN(C(=O)COc1ccccc1OC)C2 247898107 VINBNOXMIYVOPF-CYBMUJFWSA-N 321.373 1.338 0 40 DDAB CCc1ccc(CC(=O)N[C@H]2Cc3ccccc3NC2=O)nc1 529945936 XRMUCUFBRCFADA-INIZCTEOSA-N 309.369 1.866 0 40 DDAB O=C(Cn1ccnc1)N1CCC(c2ccnc3ccnn23)CC1 257263972 LSHZQPTZHRXXJN-UHFFFAOYSA-N 310.361 1.332 0 40 DDAB O[C@]1(Cn2cccn2)CNCCN(Cc2ccc(Cl)cc2)C1 257197994 PJHTXVOZQLCXLG-MRXNPFEDSA-N 320.824 1.373 0 40 DDAB CC(=O)Oc1ccccc1C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O 253488367 AJKFRUOUFGUWKO-IUCAKERBSA-N 324.285 1.174 0 40 DDAB CC(C)c1cc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)on1 257337754 YUFDQNDFNRIWSD-KBPBESRZSA-N 318.377 1.833 0 40 DDAB COc1cc(CCC(=O)N2CC[C@@H](c3[nH]ncc3C)C2)on1 257261964 LJMAQXRUIHBWBG-LLVKDONJSA-N 304.350 1.663 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3C)C2)ccn1 257215596 CQUUMEPHLCOOPE-CYBMUJFWSA-N 313.361 1.701 0 40 DDAB O=C(c1noc2c1CCCC2)N1CC[C@](O)(CN2CCCC2)C1 257223301 DWUBHJVXNYXUOG-KRWDZBQOSA-N 319.405 1.226 0 40 DDAB CC(=O)N1CC2(CCN(Cc3nccn3C)CC2)C[C@@]1(C)CO 257324464 WOUDQVTWVFDDKX-INIZCTEOSA-N 320.437 1.006 0 40 DDAB COCCC(=O)N1CCNC[C@@H]1c1ccc(OC(C)C)cc1 257320819 VYTZDVJNFMDABD-MRXNPFEDSA-N 306.406 1.983 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3n[nH]cc3C)C2)n1 257227117 FNTNMWGGMWGLCS-AWEZNQCLSA-N 301.394 1.938 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)OC1 575405925 KYQYJFZGSXSESA-IHRRRGAJSA-N 308.422 1.422 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 575403184 FJYQVFUQMTWWFI-MRXNPFEDSA-N 315.373 1.457 0 40 DDAB COc1ccc(C2(C(=O)NCCN(C)C)CCOCC2)cc1 65437205 OOCGGKWTCWEJGP-UHFFFAOYSA-N 306.406 1.421 0 40 DDAB COc1cc(CN(C)C(=O)N[C@@H](C)Cn2cccn2)ccc1O 71186362 HIFFKVULTDCEMU-LBPRGKRZSA-N 318.377 1.827 0 40 DDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCO2 58166086 JYUCTZYCWMTZPF-UHFFFAOYSA-N 322.320 1.856 0 40 DDAB Cc1noc(CCNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n1 58357528 PFQKWMXINQDOPM-CYBMUJFWSA-N 318.308 1.369 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1ccc(-c2cccs2)[nH]c1=O 75126158 KHOWGLLIYPRTLY-NSHDSACASA-N 317.370 1.112 0 40 DDAB CCN1N=C(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1=O 76017701 ZHMAPBFGMDEUHK-DOMZBBRYSA-N 315.373 1.583 0 40 DDAB CSc1nnc(CCNC(=O)c2ccc3c(c2)OCO3)n1C 5001768 YGXJLGYYYDWVLT-UHFFFAOYSA-N 320.374 1.238 0 40 DDAB O=C(N[C@]1(C(F)(F)F)Nc2nc3ccccc3n2C1=O)C1CC1 5210042 LCBHEFMUCNBQRV-ZDUSSCGKSA-N 324.262 1.887 0 40 DDAB Cc1cc(C)c(C(N)=O)c(S[C@@H](C)C(=O)N2CCCC2)n1 12734336 QZKMRINKPOOUOZ-NSHDSACASA-N 307.419 1.900 0 40 DDAB C=C1C2=C(Nc3nnnn3[C@@H]2c2ccccc2)C(=O)N1CC(C)C 15105921 TVLILZUAYLJDST-OAHLLOKOSA-N 322.372 1.954 0 40 DDAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N(C)C 16575447 XZOIIPNNTZLCLL-UHFFFAOYSA-N 300.380 1.084 0 40 DDAB O=C(CSCc1ccccc1)N1CC[C@H](n2ccnn2)C1 206926291 WLECSLXHSKWUMW-AWEZNQCLSA-N 302.403 1.985 0 40 DDAB O=c1[nH]n([C@@H]2C=C[C@H]3[C@@H]2[C@H]2C=C[C@H]3C2)c(=O)n1-c1ccccc1 100350033 FQVQAXRHYGQZAT-RWBGONCASA-N 307.353 1.877 0 40 DDAB O=C(NC[C@H]1CCCO1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373789 WLUMZGDYYJHYKV-TZMCWYRMSA-N 321.352 1.409 0 40 DDAB Cc1cc(C)c(N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 4335361 HSYKDCQKKPQRJX-UHFFFAOYSA-N 311.451 1.540 0 40 DDAB CN(CC1CN(c2ncnc3cc(F)ccc23)C1)S(C)(=O)=O 1888866470 OSDIYSMZZBGKAD-UHFFFAOYSA-N 324.381 1.097 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(c3ccn4nccc4n3)C2)nc1 1888882186 WVRWXMDEISXXAZ-AWEZNQCLSA-N 323.404 1.933 0 40 DDAB OC[C@@H](O)CN1CCN(Cc2csc3ccccc23)CC1 22802958 YPIWHZVODOWNSP-AWEZNQCLSA-N 306.431 1.372 0 40 DDAB COc1cc(OC)c(N[C@H](C)C(=O)NC(N)=O)cc1Cl 7092625 MUBMXNBCZPJXRR-ZCFIWIBFSA-N 301.730 1.353 0 40 DDAB COC(=O)c1ccc(CSc2nc(=O)n3ccccc3n2)o1 4499779 SLBBIGSDAWSSJK-UHFFFAOYSA-N 317.326 1.761 0 40 DDAB CCCS(=O)(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5222230 CCZSSJPDZHPGPC-LLVKDONJSA-N 316.810 1.775 0 40 DDAB O=C(NCCCn1ncccc1=O)Nc1ccc(F)cc1F 23137396 WLJKTUUYUUZPPA-UHFFFAOYSA-N 308.288 1.733 0 40 DDAB Cn1cccc(C(=O)NCC[C@H](CCO)c2ccsc2)c1=O 575607667 NFAHJYKZLHRTAU-GFCCVEGCSA-N 320.414 1.733 0 40 DDAB Cn1cccc1[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 75155053 ZDSWTOOTMJVTKF-WFASDCNBSA-N 302.330 1.015 0 40 DDAB O=c1c2cc3c(cc2[nH]c(=S)n1C[C@@H]1CCCO1)OCO3 40478801 TUUPLJQGWZTQIX-QMMMGPOBSA-N 306.343 1.967 0 40 DDAB O=S(=O)(NC[C@H]1CCCO1)c1cnc(Cl)c(Cl)c1 347126 YOALCYWRFKLRJF-SSDOTTSWSA-N 311.190 1.846 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccncc1 521730 RBFQKUVXGPGCFZ-NSHDSACASA-N 314.297 1.211 0 40 DDAB Cc1nnc(CN(C)Cc2ccccc2N2CCOCC2)o1 53139446 VVQLJPYLOLPDLA-UHFFFAOYSA-N 302.378 1.847 0 40 DDAB O=C1C[C@@H](C(=O)N(C[C@@H]2CCOC2)C2CC2)CN1C1CCCC1 46937068 PJCQYNQISYJHIS-UONOGXRCSA-N 320.433 1.805 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)no1 46971839 PMIAOAVHBOMBHG-HIFRSBDPSA-N 322.409 1.378 0 40 DDAB Cn1c(S)nnc1CNC(=O)CCC(=O)c1ccccc1 103982630 BYSIUZQTUQVGCZ-UHFFFAOYSA-N 304.375 1.383 0 40 DDAB NC(=O)c1cccc(COC(=O)c2cc3c([nH]c2=O)CCC3)c1 61450894 FFRZVSVCDWXGFW-UHFFFAOYSA-N 312.325 1.320 0 40 DDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)NC1CC1 53733527 IHIIWAVUHNISQR-UHFFFAOYSA-N 318.377 1.308 0 40 DDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O)C1CC1 53864940 WQHGXMYJNLECHZ-BJOHPYRUSA-N 321.402 1.430 0 40 DDAB COCc1nnc(NC(=O)c2ccc3nccnc3c2)s1 79476726 OWWFXICHMPSEQV-UHFFFAOYSA-N 301.331 1.880 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 23152175 BMUSSRAQZNVEBX-UHFFFAOYSA-N 320.324 1.396 0 40 DDAB Cc1nc(C(=O)Nc2nc[nH]n2)nn1-c1ccc(Cl)cc1 23141640 UBXSJDHVQYARRE-UHFFFAOYSA-N 303.713 1.600 0 40 DDAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@H]12 4236508 IVFFSXHYWCRJHU-GBJTYRQASA-N 306.362 1.057 0 40 DDAB biogenic,in-vitro O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc2ccccc2s1 4646624 BBTOGGUGIGKYTH-QCZKYFFMSA-N 316.338 1.889 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 6267977 MCJBDBZNSLAVGZ-ZKYQVNSYSA-N 308.403 1.977 0 40 DDAB CCCCOc1ccc(NC(=O)C(=O)N[C@H](CC)CO)cc1 6651526 JIMYIIOTWMZUAX-GFCCVEGCSA-N 308.378 1.691 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7305617 NMAKUYZNRCWINC-LRDDRELGSA-N 320.414 1.765 0 40 DDAB CN(CCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)c1ccccc1 107146351 AODCVCJQWJTNJT-QBPKDAKJSA-N 315.417 1.942 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)NCc1cc(OC)cc(OC)c1 56419086 XRSLEZBXCJEWKR-LLVKDONJSA-N 323.393 1.418 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 12694324 CBPSFMOXHUDRPV-FOSCPWQOSA-N 324.377 1.159 0 40 DDAB CCN1C[C@H](CN(C)C(=O)Cn2cccn2)Oc2ccccc21 44896960 SKAWHAHIHYPUPY-AWEZNQCLSA-N 314.389 1.629 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ncc(Cl)n1C 44910536 CXVWOQMDYKAWQU-ZDUSSCGKSA-N 318.808 1.746 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2ccccn2)N2CCOCC2)o1 48234195 HKJQOWZZGAVRGM-OAHLLOKOSA-N 315.373 1.786 0 40 DDAB Cc1cc(CN2CCN(C(=O)CCc3ccco3)CC2)on1 48230304 APANBZGUEZEMHB-UHFFFAOYSA-N 303.362 1.853 0 40 DDAB Cc1c(CCC(=O)NCCC(=O)O)c(=O)oc2cc(O)ccc12 2103417 LKSLCKHDOPWGLL-UHFFFAOYSA-N 319.313 1.331 0 40 DDAB biogenic O=C(CCN1CCN(c2cc(F)cc(F)c2)CC1)NC1CC1 58381469 GZAUNCAFYXQSOS-UHFFFAOYSA-N 309.360 1.756 0 40 DDAB CCOCCCNC(=O)c1cnc2sc(C)c(C)n2c1=O 20767645 PXMXLOKPYXQGKW-UHFFFAOYSA-N 309.391 1.529 0 40 DDAB Cc1nc2ccccc2n1CCNC(=O)c1ccc2nncn2c1 58323666 NWSYRPNXAVYGEM-UHFFFAOYSA-N 320.356 1.817 0 40 DDAB C[C@H]1CN(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 48304249 PKVCBYUZSGWVBT-PHIMTYICSA-N 318.377 1.294 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(C)o1 28924525 JZRQGJHQCLUGOD-INIZCTEOSA-N 313.357 1.925 0 40 DDAB Cc1ccc(OCc2nn3c(=O)c(C(=O)O)cnc3[nH]2)cc1 100010410 NWTDROGANMIRCA-UHFFFAOYSA-N 300.274 1.003 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1ccc(N2CCCC2)nc1 45844645 WTNHBQHCGFBWHO-ZDUSSCGKSA-N 304.394 1.612 0 40 DDAB CC[C@H](CNC(=O)N1CCOCC1)N1CCc2ccccc2C1 46072567 YOWCYSIEACUOCY-QGZVFWFLSA-N 317.433 1.865 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)Cc1ccc(-n2cnnn2)cc1 69664878 ABPJOQGXWRGIQE-KBPBESRZSA-N 302.334 1.316 0 40 DDAB Fc1ccccc1Cn1cc(Br)c(-n2cnnn2)n1 2786564 WJCWRHNZJDBFKL-UHFFFAOYSA-N 323.129 1.809 0 40 DDAB CC(C)(C)C1CCC(C(=O)NCCCS(N)(=O)=O)CC1 48482017 PPGMDGBYWWONOC-UHFFFAOYSA-N 304.456 1.634 0 40 DDAB CCc1cnc(CN2CCC[C@H](CN3CCN(C)CC3)C2)o1 95442008 KESNKOKHPSYLLG-OAHLLOKOSA-N 306.454 1.696 0 40 DDAB CC(C)NS(=O)(=O)Cc1ccccc1CNc1ncccn1 12903230 LYDGQIBUWAHHGL-UHFFFAOYSA-N 320.418 1.917 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)CCO2)n1 72299543 APXUMQGYHIKYIF-CABZTGNLSA-N 306.391 1.878 0 40 DDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NC1CCCC1 13062767 WODWOFTZADIZGY-UHFFFAOYSA-N 321.402 1.174 0 40 DDAB Cc1noc(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 84025622 VPNHHKCKLUINBS-UHFFFAOYSA-N 307.331 1.587 0 40 DDAB OCCN[C@@H](c1ccccc1)[C@H](NCCO)c1ccccc1 38617620 VPCWFGUIHDFUPC-HDICACEKSA-N 300.402 1.633 0 40 DDAB COCc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 72234724 SEILLFUBEHQHSG-OAHLLOKOSA-N 300.362 1.902 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)CCOC 72230377 GKRCODXHFICPCS-LBPRGKRZSA-N 315.391 1.125 0 40 DDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1 4065459 AMHURYGRQOHQEM-CQSZACIVSA-N 304.346 1.894 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O 71328868 SEAFFYSOKRKJIE-QMTHXVAHSA-N 317.345 1.012 0 40 DDAB CCOC(=O)CN1C(=O)S[C@@H](Nc2ccc(C)cc2)C1=O 4271880 CLVIQANSXNCLAD-GFCCVEGCSA-N 308.359 1.992 0 40 DDAB O=C(c1csnn1)N1CCC(Oc2ncc(F)cn2)CC1 1146819281 JXGRDPDFGCAMRY-UHFFFAOYSA-N 309.326 1.151 0 40 DDAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 14165654 SQEHNPSDRXEGJE-GMTAPVOTSA-N 318.377 1.292 0 40 DDAB NC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 65614099 QDVQBWYSDSSZSL-UHFFFAOYSA-N 300.355 1.292 0 40 DDAB COc1ccccc1CCC(=O)OCC(=O)NCC(F)(F)F 6947312 BJVFTAMRMRDRFS-UHFFFAOYSA-N 319.279 1.850 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)NC1(CCO)CCC1 97016048 HISMHZHJRKKAHA-UHFFFAOYSA-N 307.398 1.109 0 40 DDAB COc1ccccc1O[C@H](C)C(=O)NCCCn1ccnc1 8017578 FRCGVRHRMJAKRA-CYBMUJFWSA-N 303.362 1.866 0 40 DDAB CCn1ccnc1CN1CCO[C@@H](Cn2nc(C)cc2C)C1 69350124 IIZSCXNEZPJUCG-OAHLLOKOSA-N 303.410 1.617 0 40 DDAB O=S(=O)(Cc1ccc(F)cc1)Nc1nc2ccccn2n1 97098448 WICUCXCGPINACQ-UHFFFAOYSA-N 306.322 1.810 0 40 DDAB CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 69707382 ZDGRKFSYRGVMJC-HZPDHXFCSA-N 321.465 1.626 0 40 DDAB C[C@H](NC(=O)N[C@H]1CCc2c(O)cccc21)c1nncn1C 71920308 GIDBMPYJBKOJPL-CABZTGNLSA-N 301.350 1.568 0 40 DDAB Cc1ccccc1-n1ccnc1SCCNS(C)(=O)=O 69972715 AFEPDSOJZWFJFA-UHFFFAOYSA-N 311.432 1.822 0 40 DDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](CN(C)C)C1 69951594 ZJSWPIUTXPZTIH-DOTOQJQBSA-N 323.481 1.644 0 40 DDAB CC(C)(C)OCc1cccc(CNC(=O)[C@@H]2CCC(=O)N2)c1 69951477 WLFRKIPWIGTEHO-AWEZNQCLSA-N 304.390 1.897 0 40 DDAB Cc1cc(NC(=O)CCN2C(=O)COc3ccccc32)no1 9690877 YBXPNZNUVXVIPX-UHFFFAOYSA-N 301.302 1.737 0 40 DDAB COC[C@@H](C)NC(=O)N(C)Cc1nccn1CC(F)(F)F 72274177 UTAXZTPPWSEJPB-SECBINFHSA-N 308.304 1.622 0 40 DDAB CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 97372228 OGVXUYDURMZDAP-IXDOHACOSA-N 315.417 1.149 0 40 DDAB CO[C@@H]1[C@@H](C)[C@@H](NCc2cnc(N3CCOCC3)nc2)C1(C)C 95463785 AEOIXTNIYUHBGU-NWANDNLSSA-N 320.437 1.462 0 40 DDAB NC(=O)c1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1F 95958404 ACMLRNMTFNYKCS-UHFFFAOYSA-N 300.293 1.844 0 40 DDAB O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)[C@H]1CCCO1 75147834 AHARZTBOWNGNBD-CYBMUJFWSA-N 317.324 1.796 0 40 DDAB CC(C)NC(=O)COC(=O)CCC(=O)N[C@@H](C)c1ccccc1 89885250 WYDQECNVDYRBIJ-ZDUSSCGKSA-N 320.389 1.712 0 40 DDAB COc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CNC(=O)N3)oc12 89904623 QGAGGSXZRQATNI-SCZZXKLOSA-N 303.318 1.300 0 40 DDAB CCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956621 XFQXSFGQAOTELW-QMMMGPOBSA-N 306.334 1.255 0 40 DDAB CCN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 22585872 GGJBOWMERUZVQT-GFCCVEGCSA-N 305.378 1.380 0 40 DDAB CC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 36646136 IWSREDYPCMYIJQ-UHFFFAOYSA-N 300.343 1.790 0 40 DDAB NC(=O)[C@@H]1CC(C(=O)Nc2ccncc2)=NN1c1ccccc1 32726537 PVCOGNJRAQUOPO-AWEZNQCLSA-N 309.329 1.140 0 40 DDAB Cc1ccc(OC(F)F)c(CN2CCOC[C@H]2C(=O)O)c1 518386009 BALKRVAXSPTXQY-NSHDSACASA-N 301.289 1.882 0 40 DDAB Cn1nc(Cl)c2cn3nc(N4CCCC4)ccc3c2c1=O 66088712 RKCXZMIPKAJYQD-UHFFFAOYSA-N 303.753 1.835 0 40 DDAB CS(=O)(=O)CCC(=O)N1CCCc2c(F)cc(F)cc21 75588489 LMLGUXJFNKCZOO-UHFFFAOYSA-N 303.330 1.679 0 40 DDAB O=C(O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 32185758 WOHAPEPOGUHCQJ-NSHDSACASA-N 301.339 1.844 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)Nc2ccnn2C(C)C)no1 75573045 XSYKJXHDNYXALV-GFCCVEGCSA-N 318.381 1.931 0 40 DDAB CC(=O)N1CC[C@@H]1c1cc(NCc2nonc2C)nc(C)n1 72386963 LWPFWDWOJUGKLH-CYBMUJFWSA-N 302.338 1.382 0 40 DDAB Cc1ccc([C@@H]2[C@H](C)CCCN2CC(=O)NCC(=O)O)cc1 225568994 FRIKNGAIQQWXJL-DYVFJYSZSA-N 304.390 1.969 0 40 DDAB COC[C@@H]1CCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 87386016 KQAZNKAFKKUBRA-HUUCEWRRSA-N 310.438 1.909 0 40 DDAB CC(=O)Nc1nnc(S(=O)(=O)NC(C(C)C)C(C)C)s1 223144258 AZLDLTXCMBSKLX-UHFFFAOYSA-N 320.440 1.455 0 40 DDAB C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccon1 195539369 IIVVAOITMXXZAP-UPJWGTAASA-N 315.439 1.460 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(=O)n(C)n1 81611957 VFJPRPCEOBGWFF-GFCCVEGCSA-N 312.373 1.261 0 40 DDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)N2 40386734 ZHANVHUMECDASM-SECBINFHSA-N 319.752 1.837 0 40 DDAB CN([C@@H](C(=O)N1CCCCC1)c1ccccc1)S(C)(=O)=O 223184329 NEUSSLXWAJWXTK-CQSZACIVSA-N 310.419 1.632 0 40 DDAB CCC(=O)C1(C(=O)N[C@@H]2COc3cc(OC)ccc3C2)CC1 573071682 NFPKWTBPERIOAN-LBPRGKRZSA-N 303.358 1.874 0 40 DDAB COc1cccc(S(=O)(=O)NCc2nccc(N(C)C)n2)c1 224196359 IJGGUVNULOAMLS-UHFFFAOYSA-N 322.390 1.030 0 40 DDAB Cn1cccc(NC(=O)NCCOCc2ccccc2)c1=O 96446225 UJCQQXNBIUZPNO-UHFFFAOYSA-N 301.346 1.724 0 40 DDAB Cn1ccnc1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 96461270 TYEZEYKPCNODLJ-UHFFFAOYSA-N 307.423 1.059 0 40 DDAB COc1ccc2c(c1)C[C@@H](NCC(=O)N1CCOCC1)CC2 96493968 WTRHOBGCCXBVTC-HNNXBMFYSA-N 304.390 1.001 0 40 DDAB Cc1noc(CCCNC(=O)NCC[S@](=O)C(C)(C)C)n1 96408857 DZDQRGOMWAWWSM-OAQYLSRUSA-N 316.427 1.157 0 40 DDAB CCc1ncnc2c1CCN(C(=O)c1ccncc1F)CC2 96255043 MVBNTWPFEGPESE-UHFFFAOYSA-N 300.337 1.814 0 40 DDAB C[C@H](CC(=O)c1cccs1)NC(=O)CN1CCCCC1=O 95435156 JKEXDGFBAOSBTL-LLVKDONJSA-N 308.403 1.838 0 40 DDAB CN1[C@@H]2CN(Cc3nccs3)C[C@@H]2C[C@@H]1C(=O)NCC1CC1 96185737 NCSMKMTWJXWQHQ-BFHYXJOUSA-N 320.462 1.174 0 40 DDAB Nc1nc(NC[C@@H](CO)Cc2ccccn2)nc2ccccc12 95449418 SUECPIYGONEBOY-LBPRGKRZSA-N 309.373 1.870 0 40 DDAB Cc1nnc([C@H]2CCCN2C(=O)[C@H](C)N2CCSCC2)o1 96485669 QPUYUYBHBYNKJN-CMPLNLGQSA-N 310.423 1.479 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 50246739 UNPXQOBKHARVBH-VIFPVBQESA-N 308.325 1.675 0 40 DDAB O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053816 BJFFLXOKGRGEFF-GASCZTMLSA-N 309.373 1.076 0 40 DDAB O=C1[C@@H]2CCN(Cc3nccs3)C[C@@H]2OCCN1CC1CC1 96107094 HPUVXQALCMNMGV-KGLIPLIRSA-N 321.446 1.602 0 40 DDAB CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC(C)C)cn23)C1 96267692 CPNZNJUPUNTVPU-GFCCVEGCSA-N 315.377 1.203 0 40 DDAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)N(C)C)CC2 96208830 HFPXVDQNKAGPOV-AWEZNQCLSA-N 323.437 1.265 0 40 DDAB CCc1[nH]ncc1C(=O)N(C)CC(=O)Nc1cc(C)ccn1 69780588 JCRONLIMSZZIKP-UHFFFAOYSA-N 301.350 1.386 0 40 DDAB O=C(NCc1ccccc1CO)C(=O)Nc1cccc(F)c1F 69696395 XECDZKCYEYCCDF-UHFFFAOYSA-N 320.295 1.712 0 40 DDAB CNC(=O)[C@@]1(CCCc2cccnc2)CCCN(CCO)C1 257242145 IBHATZFBKMXNIL-KRWDZBQOSA-N 305.422 1.225 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1 84952789 AUKGOXDSDBRSQO-NSHDSACASA-N 323.370 1.976 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 257250034 JKSOBCFTHHRWIH-CYBMUJFWSA-N 302.378 1.892 0 40 DDAB C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)c2cccc(N)c2)C1 252586736 SDMYVUHNBSYRRX-STQMWFEESA-N 311.451 1.668 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@@H](c2nc(C)cn2C)C1 257333124 YAGMJBQAEIWRSP-CQSZACIVSA-N 315.421 1.894 0 40 DDAB COc1ccccc1C(=O)N1CCO[C@@H](c2nc(C)c[nH]2)C1 257339119 ZAHBILLSMOLQFL-CQSZACIVSA-N 301.346 1.940 0 40 DDAB CCCS(=O)(=O)N1CCO[C@@H](c2cc(NC)cc(C)n2)C1 257250046 JKTOBKBNSIRDDN-CQSZACIVSA-N 313.423 1.545 0 40 DDAB COc1cc(OC)cc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)c1 257213155 CGJJHRLNYRKCDJ-RDJZCZTQSA-N 321.373 1.724 0 40 DDAB COC(=O)c1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 69774113 URHVEXWURJPGRW-CQSZACIVSA-N 314.345 1.542 0 40 DDAB c1cncc(-c2noc(CN3CCC[C@@H]3Cn3cccn3)n2)c1 69769160 SGURCVVQWBIZTM-CQSZACIVSA-N 310.361 1.993 0 40 DDAB CC(C)OCCCNC(=O)C(=O)NCc1cccc(Cl)c1 298117584 SAPFVKUEOVPLDU-UHFFFAOYSA-N 312.797 1.888 0 40 DDAB Cn1nccc1[C@@H]1COCCN1Cc1cccc(C(=O)O)c1 650513860 LRFKPSBEPSHTLV-HNNXBMFYSA-N 301.346 1.692 0 40 DDAB COCC[C@H]1CO[C@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]12 575405328 SDUNPBQYAZIUHP-DIECFANBSA-N 317.385 1.500 0 40 DDAB CCn1ncc(CN[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)n1 585087126 POSCPHVBCZLHGK-RHSMWYFYSA-N 314.437 1.693 0 40 DDAB COC[C@@H](NS(=O)(=O)N1CCCC1)c1cccc(OC)c1 585091968 VUXAFUZLXUAJGD-CQSZACIVSA-N 314.407 1.313 0 40 DDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cccnc2C)C1 585279455 ZJMQCJVIMUXFKP-MRXNPFEDSA-N 305.378 1.277 0 40 DDAB COc1c(CN[C@@H](C)CN2CCCC2=O)c(C(C)C)nn1C 58413966 DWVCACOZAUEYDG-LBPRGKRZSA-N 308.426 1.653 0 40 DDAB Cc1ncc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)s1 76018321 JJVIFKLDXYQLJU-UHFFFAOYSA-N 311.313 1.985 0 40 DDAB CNC(=O)Cn1cnc(NC(=O)CCc2ccc(Cl)cc2)n1 76041240 ZSYMHHVTQOHCQQ-UHFFFAOYSA-N 321.768 1.249 0 40 DDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C)on2)cc1 75568104 MURISEWJCHJRJL-GFCCVEGCSA-N 304.302 1.937 0 40 DDAB Cc1cc(CS(=O)(=O)N[C@H](C(=O)O)c2cccs2)on1 547871903 ZRKHCLITIRAKLE-JTQLQIEISA-N 316.360 1.290 0 40 DDAB CC[C@@H]1CC[C@H](C(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)O1 548660495 IKMNHCXFZLVXON-MGPQQGTHSA-N 323.393 1.920 0 40 DDAB Cc1cc(I)ccc1NS(C)(=O)=O 5557710 PYVOVHHPNBUPOF-UHFFFAOYSA-N 311.144 1.971 0 40 DDAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 11424561 SBNKRSFPROKNHW-UHFFFAOYSA-N 311.345 1.386 0 40 DDAB CCOC(=O)Cn1nc(CC)n2c(cc3sccc32)c1=O 12115282 FEWJMEBJYZNOPZ-UHFFFAOYSA-N 305.359 1.836 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15538679 PDVMOKJGYJRWIA-UHFFFAOYSA-N 310.313 1.225 0 40 DDAB O=C(NCc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccncc1 19402965 DFDRRIPVZTXSGH-UHFFFAOYSA-N 307.313 1.157 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 19938919 PTAFQEJZKQWIJJ-UHFFFAOYSA-N 320.780 1.774 0 40 DDAB Cn1cc(C(=O)OCC(=O)N2CCOCC2)c2ccccc21 5703128 DWNQGNYGLAOHHH-UHFFFAOYSA-N 302.330 1.194 0 40 DDAB COc1ccc(OC)c2sc(N3CC(n4nccn4)C3)nc12 1888904146 BAOLOEMLMGGYQZ-UHFFFAOYSA-N 317.374 1.966 0 40 DDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(O)nn1 23417634 WFRMECCMXTZLLZ-UHFFFAOYSA-N 323.356 1.699 0 40 DDAB CCN(C)S(=O)(=O)Nc1ccc([C@H](C)CC(=O)O)cc1 342436654 MEHZIUSEWFQVBD-SNVBAGLBSA-N 300.380 1.873 0 40 DDAB COCCN[C@@H]1CSC2(C1)CN(Cc1c(C)nn(C)c1C)C2 2056224538 UPTNIDIHQRHKFR-AWEZNQCLSA-N 324.494 1.333 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(F)c1 9822584 BAIBZGAXUKHSKQ-CQSZACIVSA-N 320.345 1.431 0 40 DDAB CCC(CC)NC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055718043 XSOAOWSKZYEJSN-GFCCVEGCSA-N 320.437 1.889 0 40 DDAB Cc1cc(-c2noc(CNc3ncnc4c3cnn4C)n2)no1 575616530 LTRGEOASEDYWDR-UHFFFAOYSA-N 312.293 1.322 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCc1c(F)cccc1F 585149713 KFQDTWHDQYFQCT-ZWNOBZJWSA-N 310.344 1.989 0 40 DDAB O=C(C1CN(c2ccnc(C(F)(F)F)c2)C1)N1CCOCC1 2298184008 RFIBQFHMYIXZJG-UHFFFAOYSA-N 315.295 1.395 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)o1 40086740 ZIPMEIPHUJQYBO-UHFFFAOYSA-N 312.322 1.921 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNCc1ccccn1 30658201 NFHFHXROMOIFJU-UHFFFAOYSA-N 305.403 1.622 0 40 DDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]1CCCO1 30870409 NNYPBKKBWYPBGL-RISCZKNCSA-N 311.403 1.789 0 40 DDAB CCC(=O)Nc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 101809768 XHJSQIJMZLWQQB-UHFFFAOYSA-N 311.345 1.665 0 40 DDAB COc1cc(NC(=O)[C@@H](C)N2CCC(O)CC2)cc(OC)c1 32664882 WBJFWKGCVALHBQ-LLVKDONJSA-N 308.378 1.488 0 40 DDAB CONC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 32848461 RUXNCAOLFIJYTR-UHFFFAOYSA-N 312.391 1.081 0 40 DDAB NC(=O)CC1CCN(C(=O)NCCOc2ccc(F)cc2)CC1 46939906 YIZJEAVFGFHALK-UHFFFAOYSA-N 323.368 1.502 0 40 DDAB O=C(NCCCOc1ccccc1)c1ccnc(-n2cncn2)c1 53790052 CNIVFTNJUIAGDC-UHFFFAOYSA-N 323.356 1.861 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)c1ccnc(-n2cncn2)c1 53791167 ZFJFENQFOHGLTB-CQSZACIVSA-N 309.329 1.126 0 40 DDAB OCCN1CCN(c2nc(C(F)F)nc3ccccc23)CC1 78524657 NIGHXEHOUGGYNG-UHFFFAOYSA-N 308.332 1.682 0 40 DDAB CCOCC(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 78678579 TZHPNBVKTLTJAR-AWEZNQCLSA-N 302.334 1.242 0 40 DDAB Cc1cc(S(=O)(=O)Nc2nc3ncccn3n2)ccc1F 79102237 LFEAFNZRWXACLT-UHFFFAOYSA-N 307.310 1.373 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)N1CC[C@@H]2CCCC[C@@H]21 74567435 OJXFYWWOCZANPJ-QWRGUYRKSA-N 321.343 1.981 0 40 DDAB Cc1cccc(Cc2cnc(NC(=O)C3=NCCN3)s2)c1 4248140 JBPPSAPPFSLGJU-UHFFFAOYSA-N 300.387 1.983 0 40 DDAB O=C(NC1CCC(O)CC1)N1CCN(Cc2ccco2)CC1 42962301 AHWULICEWZFOMF-UHFFFAOYSA-N 307.394 1.410 0 40 DDAB CCc1c(C(=O)N(CC)CC)cnn1-c1ccc(OC)nn1 24546838 ROMHSWGLELYVKT-UHFFFAOYSA-N 303.366 1.715 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cnc(C)s3)CCO2)n1 89289797 PTJGJWJSSJSFJQ-SECBINFHSA-N 307.379 1.346 0 40 DDAB CCOC(=O)[C@H](Sc1nnc2nc(C)cc(C)n12)C(C)=O 10339229 YQUFCLZGBGEPSE-SNVBAGLBSA-N 308.363 1.354 0 40 DDAB CC(=O)N[C@H](C(=O)NCCn1c(C)nc2ccccc21)C(C)C 8135270 ALINQZHQEKRSMX-INIZCTEOSA-N 316.405 1.622 0 40 DDAB COc1ccc([C@H](C)NC(=O)NCCn2ccnc2)cc1OC 43310442 PFMLKQWWAOTDAR-LBPRGKRZSA-N 318.377 1.961 0 40 DDAB CCN(CC)C(=O)C(=O)NCCc1ccc(OC)c(OC)c1 59516081 FPVROCWXHDQEGP-UHFFFAOYSA-N 308.378 1.231 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)s1 56003576 XIAXWAZGDWRROU-CYBMUJFWSA-N 324.427 1.815 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 9314404 AJFCDTCRYYZLDE-UHFFFAOYSA-N 310.419 1.546 0 40 DDAB CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C(=O)O)cc1 37837078 RDZRRCQNBWGQJD-JTQLQIEISA-N 301.364 1.430 0 40 DDAB CC[C@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 48235382 OKQNVIHRNMMBHI-ZIAGYGMSSA-N 320.368 1.719 0 40 DDAB CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCCC2)CC1 26911543 JONFKUVSHQVIMW-UHFFFAOYSA-N 311.426 1.598 0 40 DDAB CC[C@@H](C)NC(=O)CCNC(=O)c1[nH]c(C)c(C(=O)OC)c1C 58195068 MBMQGXKBFGAZRO-SECBINFHSA-N 323.393 1.453 0 40 DDAB CNC(=O)c1cccc(CNC(=O)Nc2nnc(C)s2)c1 44971219 KXVFAORTCMXTAT-UHFFFAOYSA-N 305.363 1.528 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 44913184 YIWXPVPYFWPQFS-QWHCGFSZSA-N 316.357 1.969 0 40 DDAB O=C(COc1nnc2ccccn12)N1CCC(c2ccccc2)=N1 12770063 IQHWHAAYAWBFEW-UHFFFAOYSA-N 321.340 1.745 0 40 DDAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)OCC3CC3)cc2)C1 58390495 XHFXSANEPTZNIE-CQSZACIVSA-N 302.374 1.955 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2cnc(C)s2)c2ccccc2O1 58358236 YNFXFDYNBYNALS-AWEZNQCLSA-N 303.387 1.965 0 40 DDAB Cc1cc(C)n(CCNc2nc(N)nc3c2nc(C)n3C)n1 57279146 HCQHBDRNLMXSAP-UHFFFAOYSA-N 300.370 1.179 0 40 DDAB COCCNC(=O)CSc1nncn1-c1ccccc1OC 3392092 DUAOYTODQQTIQQ-UHFFFAOYSA-N 322.390 1.131 0 40 DDAB CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)O)C2=O)cc1 100855973 FOFYADGFSAIFEH-GFCCVEGCSA-N 323.370 1.925 0 40 DDAB COc1ccc(CCNc2nc(N)nc3[nH]cnc23)cc1OC 12898050 HJTKPCKUPKRWOL-UHFFFAOYSA-N 314.349 1.607 0 40 DDAB biogenic Cc1noc(CCCC(=O)N[C@H](C)c2nnc3n2CCC3)n1 46781600 JCVMJAGUJAZGBR-SECBINFHSA-N 304.354 1.116 0 40 DDAB CC[C@H](C(=O)N1CCCCC1)n1c(=O)[nH]c2ccccc2c1=O 9058670 VHYBICCDBCKHMX-CQSZACIVSA-N 315.373 1.653 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(-n2cccn2)nc1 65464621 WMIXGUWBLPNWLH-ZDUSSCGKSA-N 308.345 1.209 0 40 DDAB CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)no1 65409067 HVVNIEYISPDSKS-JTQLQIEISA-N 320.393 1.384 0 40 DDAB CN1C[C@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1=O 65656851 IPZFKBOYZVAVCE-TZMCWYRMSA-N 322.792 1.718 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1cccc(CO)c1 84363218 RKVVKPADGGNOBO-MVGZEHJDSA-N 302.374 1.449 0 40 DDAB CC1(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCC1 96011030 VPGSCVGAZAUINB-CYBMUJFWSA-N 302.378 1.819 0 40 DDAB COc1ccc(C2(NC(=O)[C@H]3CCC(=O)N3)CCCC2)cc1 67726446 XOMDNTISICHXLP-CQSZACIVSA-N 302.374 1.859 0 40 DDAB C[C@@H]1CN(CCN2CCCc3ccccc32)C[C@H](C(N)=O)O1 90552346 ZZDAONUVKMEYDS-CZUORRHYSA-N 303.406 1.014 0 40 DDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CC1CCCCC1 71797424 NARAIUFTVWXGLA-ZDUSSCGKSA-N 309.454 1.611 0 40 DDAB COC(=O)[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H](C)O1 95414034 GDONPWBRYYJQMG-WBMJQRKESA-N 300.358 1.997 0 40 DDAB CCNC(=O)CN(CC)C(=O)c1ccc(-n2cccn2)cc1 7988918 ZYGYMVAOYXHOGO-UHFFFAOYSA-N 300.362 1.471 0 40 DDAB CCOC(=O)N1CCN(Cc2cn3cccc(C)c3n2)CC1 8227957 WROMJWBZIVWNRO-UHFFFAOYSA-N 302.378 1.917 0 40 DDAB Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)O 17043100 REOOCYGSVUZNEG-UHFFFAOYSA-N 323.330 1.300 0 40 DDAB CCN(CCNC(=O)c1ccc(Cn2cncn2)cc1)C1CC1 69420169 NKALHYXMGYJRHN-UHFFFAOYSA-N 313.405 1.541 0 40 DDAB NC(=O)CN1CCCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 69569381 AUQZTGSWCUDDHF-AATRIKPKSA-N 321.808 1.373 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)NCCCn1cncn1)C2 69516134 XAPJEENETJXWPM-CYBMUJFWSA-N 316.361 1.044 0 40 DDAB CCn1cc(CN2CCCN(C(=O)[C@H]3CCCN3C)CC2)cn1 69585944 SRVMBWGDBCDOKM-MRXNPFEDSA-N 319.453 1.032 0 40 DDAB C[C@H]1CN(Cc2ccc(NS(C)(=O)=O)cc2)CCS1 71897083 JSYOLJIDWBLXDQ-NSHDSACASA-N 300.449 1.995 0 40 DDAB COCCN1CCN(Cc2nc(-c3cccnc3)no2)C[C@@H]1C 69706772 UTEIHDMYZJOXRE-ZDUSSCGKSA-N 317.393 1.284 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NC1CCC(O)CC1 83884513 MMLAJWACPRSDCT-NWINJMCUSA-N 312.410 1.711 0 40 DDAB CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC2(C1)OCCO2 95431916 PYEUSQXTJLQVQA-OAHLLOKOSA-N 318.417 1.872 0 40 DDAB CC(C)c1nc2n(n1)[C@]1(CCS(=O)(=O)C1)Nc1ccccc1-2 69900282 NFOGGKVMBWGLLS-HNNXBMFYSA-N 318.402 1.965 0 40 DDAB CSCc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)cc1 69980703 FPGGFVPRCMUVHQ-ZDUSSCGKSA-N 308.447 1.688 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3ccnc3)C2)CN1CC1CC1 69917391 LXSJQYAYQGDMTO-CABCVRRESA-N 316.405 1.305 0 40 DDAB O=C(NCc1ccco1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641354 DNXPUQTVXFUKJE-HNNXBMFYSA-N 314.341 1.323 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCc2ccccc2C1 8753910 JNPLFSSUPMOIJJ-UHFFFAOYSA-N 319.364 1.981 0 40 DDAB Cc1noc([C@H](C)N(C)C[C@H](O)COCc2ccccc2)n1 71907392 AABHYPGZFSOOSJ-WFASDCNBSA-N 305.378 1.949 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c(=O)[nH]1 83996787 DPLAKTJCHMEAET-LSDHHAIUSA-N 315.348 1.741 0 40 DDAB Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)C[C@H](O)c1cccs1 97020896 SLBCONORQGSVIT-SKDRFNHKSA-N 306.387 1.987 0 40 DDAB CCc1ccccc1N(CC(=O)N(CC)CC)S(C)(=O)=O 22273183 FETUGCGNGXCUGF-UHFFFAOYSA-N 312.435 1.883 0 40 DDAB CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(Br)cn1 97019275 QGIPEYTUBXNTGG-XCBNKYQSSA-N 319.224 1.686 0 40 DDAB CC[C@@](C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)OC 97000308 XFGSPLGIKDOJMM-GFCCVEGCSA-N 307.318 1.585 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 72272376 VVNMTPOUNIIPKD-GXFFZTMASA-N 303.366 1.850 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)n1 72279963 RQWLREHNKBSOJN-GJZGRUSLSA-N 318.421 1.407 0 40 DDAB Cc1nc2cc(C(=O)N3CCC[C@@H](n4cncn4)C3)ccc2n1C 72235017 PXGATOYWCKSTLJ-CQSZACIVSA-N 324.388 1.951 0 40 DDAB CN(C[C@H]1CCCN1c1cccnn1)c1ncnc2c1CCC2 72276320 KNECGOWRIPGLPV-CYBMUJFWSA-N 310.405 1.861 0 40 DDAB O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc[nH]1 89830433 PXSBVMDDHBXIOF-HNNXBMFYSA-N 311.385 1.978 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1ccsc1 89949365 BOKSGJKVBCYCCI-STQMWFEESA-N 310.419 1.689 0 40 DDAB CCN(CC)C(=O)CN1CCN(c2ccncc2Cl)CC1 89967649 OGTAMRQHDZFMPO-UHFFFAOYSA-N 310.829 1.725 0 40 DDAB O=C(OCCc1cnc(O)nc1)[C@@H]1OCCc2ccccc21 1548592247 UVVWNQLUKITMJY-CQSZACIVSA-N 300.314 1.582 0 40 DDAB CC(C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705846 OOBNVQAOPOTLIN-UHFFFAOYSA-N 316.398 1.897 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)OCO2 62001818 WHRMSMCHROEEOW-QWHCGFSZSA-N 319.313 1.913 0 40 DDAB biogenic Cc1ncsc1CN(C)c1nccc(=N[C@H]2CCCOC2)[nH]1 548681387 IYNVNMQAQFCFEB-LBPRGKRZSA-N 319.434 1.891 0 40 DDAB CCC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408529868 KIZOONWMXQQBOG-UHFFFAOYSA-N 302.378 1.826 0 40 DDAB Cn1cnnc1CCNC(=O)c1csc(-c2ccoc2)n1 79001220 XAZJCHDCDJQNFL-UHFFFAOYSA-N 303.347 1.504 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2nnnn2c1 79488529 QZWPNYLWQAUARQ-UHFFFAOYSA-N 306.329 1.578 0 40 DDAB O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@H](Cc2ccccc2)C1 544684159 HCUMDCIDBHBCMN-CYBMUJFWSA-N 323.356 1.122 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)n(C)c2ncccc21 72389490 VATQSCHUEYXSEY-VXGBXAGGSA-N 302.378 1.525 0 40 DDAB CCC(CC)(CO)C(=O)N1CCN(c2ccc(OC)cn2)CC1 566467301 UFYGRHKHLMTTSA-UHFFFAOYSA-N 321.421 1.538 0 40 DDAB CCc1nccn1[C@@H]1CCCN(c2ncnc(N)c2OC)C1 568244060 ZISQGMZAQFBCNO-LLVKDONJSA-N 302.382 1.668 0 40 DDAB Cn1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cn1 36612438 VMPOHWUYVICHGV-UHFFFAOYSA-N 304.375 1.422 0 40 DDAB COC(=O)CNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243008 CDQBHIYRNJYNMM-UHFFFAOYSA-N 301.224 1.485 0 40 DDAB CCc1nnc(Sc2ccc(N)cc2C(=O)OC(C)C)n1N 70462464 SHEAIUNPKIJVPJ-UHFFFAOYSA-N 321.406 1.853 0 40 DDAB CCOCCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccs1 72239731 VTBIXWGQHQHYKI-ZDUSSCGKSA-N 310.419 1.782 0 40 DDAB COc1cnccc1[C@@H](C)NC(=O)c1conc1C(C)(C)N 564667394 KTXNIUMETJGXNO-SECBINFHSA-N 304.350 1.763 0 40 DDAB C[C@H](N)C(=O)N(C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393083 VDJGRMUBMCCAKV-ZFWWWQNUSA-N 319.405 1.593 0 40 DDAB CCOc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 136666976 XYOVHLOQDKPFIP-VXGBXAGGSA-N 312.416 1.739 0 40 DDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](O)c1ccoc1 75171965 PBSQKEFRAQDDLB-ZDUSSCGKSA-N 322.748 1.399 0 40 DDAB Cn1c(CSc2nc3[nH]ncc3c(=O)[nH]2)nc2ccccc21 69699668 VYEQYRKXEAWRTD-UHFFFAOYSA-N 312.358 1.825 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1 226061471 MTVHWCFTEOORGZ-UHFFFAOYSA-N 312.435 1.778 0 40 DDAB O=S(=O)(Nc1nc[nH]n1)c1ccc2c3c(cccc13)CC2 226862241 FCJLTRYZQQMIQF-UHFFFAOYSA-N 300.343 1.857 0 40 DDAB O=c1cc2c(nn1C[C@H](O)COCc1ccccc1)CCC2 84926218 PIHBAMWSGHIFFO-HNNXBMFYSA-N 300.358 1.310 0 40 DDAB COc1ccc(-n2cnc(C(=O)NCC(=O)NC(C)C)c2)cc1 226752106 XPXSQDVMDNDACD-UHFFFAOYSA-N 316.361 1.135 0 40 DDAB COc1ccccc1CN(CCO)[C@H]1CCCN(C(C)C)C1=O 192570791 KNAFLJNZNGSYBM-INIZCTEOSA-N 320.433 1.889 0 40 DDAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccn2C)nn1 96064068 PDEPYUQZEQFXBB-UONOGXRCSA-N 311.389 1.617 0 40 DDAB CN(C(=O)CCC(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O 96461170 DJLAMPJUQVVLKF-BDAKNGLRSA-N 301.330 1.753 0 40 DDAB Cc1cccc(N2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)n1 96063678 UVRAPGMXSGMWLW-OKILXGFUSA-N 309.373 1.388 0 40 DDAB C[C@@H](CNC(=O)Cc1ccc(F)c(Br)c1)C(=O)O 96480525 NYOVZMGHXJKRIS-ZETCQYMHSA-N 318.142 1.968 0 40 DDAB CN(C)C(=O)CN1CCC[C@@]12CCCN(Cc1ccccn1)C2 96214878 MZNVFQUREBMVEO-GOSISDBHSA-N 316.449 1.600 0 40 DDAB c1cncc(O[C@@H]2CO[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)c1 96218558 ADBODCDKPQXQIV-HOTGVXAUSA-N 300.362 1.617 0 40 DDAB Cc1ccc(NC[C@H]2CCN(c3ccc4nnnn4n3)C2)nc1 97200954 VOFXDLPMFJSRLX-GFCCVEGCSA-N 310.365 1.161 0 40 DDAB CO[C@H]1CCN(C(=O)COc2ccc(C)cc2)[C@H]2CCO[C@H]12 96220627 PTCZJMCYGKHHEE-ZOBUZTSGSA-N 305.374 1.779 0 40 DDAB O=C1[C@H]2CN(C3CCOCC3)C[C@H]2CN1Cc1ccncc1 96245142 QXFAICCBGWHRJT-HOCLYGCPSA-N 301.390 1.151 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccnc(N(C)C)c1)CC2 97198510 NEUZOCMVBMVEKF-LBPRGKRZSA-N 314.393 1.046 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2ccncc2F)Cc2nccn2C1 96066815 XRICXFSRPOKSRY-LBPRGKRZSA-N 318.352 1.726 0 40 DDAB CN1CC[C@H]2OCC[C@@H](C(=O)N(C)Cc3ccccn3)[C@@H]2C1 96043355 DOTSXGHCXWKGNX-OWCLPIDISA-N 303.406 1.397 0 40 DDAB COC[C@H]1CN(Cc2cccnc2OC)Cc2cn(C)nc21 96197968 LKKCYUXBUMEEBH-CQSZACIVSA-N 302.378 1.570 0 40 DDAB CS(=O)(=O)CCNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 96461517 MMMYOOYRHGSOGI-GFCCVEGCSA-N 314.382 1.369 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)Cc2ccsc2)n1 257277040 NWFRFQBVQOSGTO-ZDUSSCGKSA-N 319.386 1.695 0 40 DDAB CCCn1ccc(C(=O)N2CCO[C@@H](c3cnccn3)C2)n1 257226580 FLGIFHGNXVSMAZ-CQSZACIVSA-N 301.350 1.297 0 40 DDAB Cc1cccc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)n1 257333966 YDXRDMVMECSPFX-MRXNPFEDSA-N 312.373 1.889 0 40 DDAB CC(=O)N1CC[C@@H](Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1 257201299 AHBUPBQONDYCSK-AWEZNQCLSA-N 313.405 1.905 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)c2cc(C)nc(O)n2)n1 257288491 PUKAHGNKXHPKOE-GFCCVEGCSA-N 314.349 1.300 0 40 DDAB CCN1C(=O)C[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1Cl 257289573 PZGTUQYTUIBBHV-DOMZBBRYSA-N 324.808 1.748 0 40 DDAB CCc1ncnc(NCC(C)(C)N2CCS(=O)CC2)c1F 271190270 OIBJXZPJHQQUPJ-UHFFFAOYSA-N 314.430 1.433 0 40 DDAB Cc1nc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)sc1C 575424709 VXIWEAWAONMJKL-LLVKDONJSA-N 319.477 1.624 0 40 DDAB CN(C)c1ncc(C(=O)N2CCC[C@]3(CCCN3C)CC2)o1 585100671 SESFLYYRDGCWFI-MRXNPFEDSA-N 306.410 1.831 0 40 DDAB O=C(c1cnco1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585277386 VTFDTJRIMUMFRH-INIZCTEOSA-N 320.320 1.260 0 40 DDAB CCCOC(=O)[C@H](C)Sc1nnnn1C1CCOCC1 71922151 AWTXFDFLTLOFQO-VIFPVBQESA-N 300.384 1.458 0 40 DDAB CC[C@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1 72293038 XWLOIOYMYBNWFW-LBPRGKRZSA-N 318.421 1.559 0 40 DDAB O=C(N[C@H]1CCn2nccc2C1)c1cncc(Br)c1 245131290 VNJYFFIXBYMPNJ-NSHDSACASA-N 321.178 1.785 0 40 DDAB Cn1cc(Br)cc1C(=O)Nc1cnccc1C(N)=O 76089194 MUZTXGJNXFLGBK-UHFFFAOYSA-N 323.150 1.534 0 40 DDAB COCCN1CCC[C@H](N[C@@H]2CCN(CC(F)(F)F)C2)C1 88716268 IMLSAMCKOOCULS-QWHCGFSZSA-N 309.376 1.323 0 40 DDAB C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)c1ccsc1 97032208 WBMFBOGGEBKPJZ-SNVBAGLBSA-N 304.437 1.249 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)O)C1 92181290 HKXGCBBOIKNYDU-ONGXEEELSA-N 315.778 1.956 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 93531503 GFSRBCAJCZIOQI-SNVBAGLBSA-N 306.790 1.603 0 40 DDAB NC(=O)[C@@]1(F)CCN(Cc2cccc(Br)c2)C1 1849308091 KDBPFYNFTHVZAE-GFCCVEGCSA-N 301.159 1.848 0 40 DDAB CC(=O)O[C@@H]1CC(C)=C[C@H]2O[C@H]3O[C@@]14[C@H](CC4(C)C)[C@H]3[C@@H]2O 1772591245 NSNOIYSVLPRWIS-CWFWSFGMSA-N 308.374 1.785 0 40 DDAB CN(C)CCN(C)C(=O)Cc1csc(-c2ccccn2)n1 12360921 KYUNCEKOSFPGRQ-UHFFFAOYSA-N 304.419 1.768 0 40 DDAB CC(C)n1nnc(CC(=O)NCCOc2ccc(F)cc2)n1 19455043 USBRVVZTNWHTGZ-UHFFFAOYSA-N 307.329 1.131 0 40 DDAB COc1ccc(CN(Cc2ncc[nH]2)C[C@H](C)O)cc1OC 19455999 QBIUMJFRPRZFSH-LBPRGKRZSA-N 305.378 1.810 0 40 DDAB COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCOCC1 384577 PLGHLJMGAQGUDY-UHFFFAOYSA-N 319.810 1.986 0 40 DDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1ccsc1=N 6917246 QNVWTBRNNHSDOR-UHFFFAOYSA-N 322.365 1.265 0 40 DDAB CC(=O)N(C)C1CCN(c2cc(C)nc3cc(C)nn23)CC1 1888842894 ZVVFFIFNGWIDSE-UHFFFAOYSA-N 301.394 1.793 0 40 DDAB CC(C)(O)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1889108776 IPTMAJRLXGXIFL-CQSZACIVSA-N 314.389 1.554 0 40 DDAB O=S(=O)(c1ccc(F)cc1F)N1CCN2CCC[C@@H]2C1 14223634 ZHRLJUMNFSBJCG-LLVKDONJSA-N 302.346 1.434 0 40 DDAB COC1CN(c2ccc(NC(=O)c3snnc3C)cc2)C1 245187611 ZQTOUQOXYKKIJC-UHFFFAOYSA-N 304.375 1.934 0 40 DDAB CN(C)[C@H]1CC2(CCN(C3CCOCC3)CC2)OC[C@]1(C)O 2037849807 MRUPNMRDJMODDF-HOTGVXAUSA-N 312.454 1.102 0 40 DDAB COC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1 4327329 NWNXOSHDJIZXKC-UHFFFAOYSA-N 301.331 1.451 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)NC(C)(C)C)C[C@H]3C2)ncn1 1889040297 PABHUUAQTQSLEK-BETUJISGSA-N 303.410 1.661 0 40 DDAB CN([C@@H]1CCCN(c2ncccc2F)C1)S(=O)(=O)C1CC1 2086889326 JDKZKVYUZYZRTO-LLVKDONJSA-N 313.398 1.614 0 40 DDAB CN([C@H]1CCCN(c2ncccc2F)C1)S(=O)(=O)C1CC1 2086889327 JDKZKVYUZYZRTO-NSHDSACASA-N 313.398 1.614 0 40 DDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1cccc2c1OCCO2 575615817 IKBBMYRRNHRNKU-CYBMUJFWSA-N 316.361 1.504 0 40 DDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)NC3CC3)CC2)C[C@@H](C)O1 31101471 ZCCFURXOWTVMAT-VXGBXAGGSA-N 309.410 1.206 0 40 DDAB COc1ccc2cc(C(=O)N3CCC(C(N)=O)CC3)[nH]c2c1 40494414 YPAPNFORAYOWSP-UHFFFAOYSA-N 301.346 1.514 0 40 DDAB CN(C)c1ccc(NC(=O)c2cnc3ccccn3c2=O)cn1 40488618 BPFPRHZOQSBETL-UHFFFAOYSA-N 309.329 1.408 0 40 DDAB Cn1c(CSc2nc(N)cc(N)n2)nc2ccccc2c1=O 31820195 RDKUEEPIEHRYKA-UHFFFAOYSA-N 314.374 1.180 0 40 DDAB CCOc1ccc(N2C[C@H](C(=O)Nc3cn[nH]c3)CC2=O)cc1 40512187 NPZZUFANZGHAJF-LLVKDONJSA-N 314.345 1.800 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)on1 40535537 VDPJTMMTIRIGPV-UHFFFAOYSA-N 304.350 1.546 0 40 DDAB O=C(NCCCc1ccc(O)cc1)N1CC[C@@H](N2CC=CC2)C1 101388567 OZDKQKBGNAFGJE-MRXNPFEDSA-N 315.417 1.981 0 40 DDAB O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)[C@H](O)c1ccccc1Cl 101877586 QDOGRLUCSBZWLT-GSZDYRQJSA-N 309.793 1.897 0 40 DDAB NC(=O)[C@H]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)C1 52392211 CLJGPJHJCQBFKL-JTQLQIEISA-N 318.764 1.198 0 40 DDAB NC(=O)c1cccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 52835422 TUEMJCHRCTVNSM-KRWDZBQOSA-N 323.396 1.849 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccncc1 521729 RBFQKUVXGPGCFZ-LLVKDONJSA-N 314.297 1.211 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1nc2ccccc2c(=O)[nH]1 12296892 OMMSCESICWYUQQ-UHFFFAOYSA-N 323.308 1.582 0 40 DDAB biogenic CN1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 203746 WMCRUOUJDVCHSC-QGZVFWFLSA-N 301.434 1.673 0 40 DDAB CCOc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 419917 GUUKAUZBOMRRRV-UHFFFAOYSA-N 319.390 1.771 0 40 DDAB CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947313 JXUHSIYZQWHMQC-QGZVFWFLSA-N 317.389 1.497 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22774355 VZEWKPUORWDZEB-DOTOQJQBSA-N 317.433 1.810 0 40 DDAB Cc1nccc(CNC(=O)NC[C@](C)(O)c2cc(C)oc2C)n1 78940301 CISPPIKVGJEHSL-INIZCTEOSA-N 318.377 1.702 0 40 DDAB O=C(O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1242371 JLLFMPMRMQHVLE-UHFFFAOYSA-N 317.672 1.722 0 40 DDAB CCn1c(=O)c2ccccc2n2c(SCC(C)=O)nnc12 1331757 CVEAKHSCQBVQQR-UHFFFAOYSA-N 302.359 1.745 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4151623 FCUNYDGWNHWKIE-DNIRFERGSA-N 301.298 1.846 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(S(C)(=O)=O)cc1 42533352 SYECRAVWJGTEQJ-NSHDSACASA-N 307.375 1.105 0 40 DDAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 6321150 HCFMRQMGBMYQCN-UHFFFAOYSA-N 324.446 1.975 0 40 DDAB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccccc1C(=O)O 6962314 DKHQGEJXLOCVOV-CAOOACKPSA-N 300.318 1.795 0 40 DDAB Cc1csc(=O)n1CC(=O)N1CCN(c2ccccc2)CC1 7149740 ABUUCMWPOQVMAS-UHFFFAOYSA-N 317.414 1.567 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 72235695 PERCFLLMAJEGPU-KBPBESRZSA-N 302.382 1.516 0 40 DDAB C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)N1CCCCCC1 105579308 SQASRMZDNXWZQU-LSDHHAIUSA-N 317.499 1.960 0 40 DDAB c1cc(CNc2ccc3nnnn3n2)cc(Cn2cccn2)c1 54837056 CBJCNDMVFXWZIX-UHFFFAOYSA-N 306.333 1.376 0 40 DDAB COCCN[C@H](CC(=O)Nc1cc(Cl)ccc1O)C(=O)O 10186449 JYIMPXYAVIFEDY-SNVBAGLBSA-N 316.741 1.063 0 40 DDAB COC(=O)c1sccc1O[C@H](C)c1ccnc2nc(N)nn12 1400481 URLXXHDSZJNMLV-SSDOTTSWSA-N 319.346 1.695 0 40 DDAB O=C(COc1ccc(F)cc1F)N[C@]1(C(=O)O)CCSC1 43510316 YEHXRQUOZPIZBL-CYBMUJFWSA-N 317.313 1.420 0 40 DDAB Cc1ocnc1C(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 102431612 QNNUOMYVONYTHN-SNVBAGLBSA-N 319.365 1.180 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N2CCc3ccccc3C2)cn1 3219537 YKNYDNJXFPGAJI-UHFFFAOYSA-N 311.341 1.527 0 40 DDAB C[C@@H](C(N)=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 26890139 JAHBUUSFXNEBNX-NWDGAFQWSA-N 318.446 1.849 0 40 DDAB NC(=O)CN(Cc1cccc2c1OCCCO2)C[C@H]1CCCO1 48276978 MSWPBIVZSDEFRX-CQSZACIVSA-N 320.389 1.314 0 40 DDAB Cc1ccccc1[C@H](CC(=O)NCc1cc[nH]n1)NC(N)=O 48252348 FKEAQEOFOYPBHP-ZDUSSCGKSA-N 301.350 1.134 0 40 DDAB Cc1ccccc1-c1noc(=O)n1Cc1ccc(C(N)=O)cc1 58280591 GNYOSMXHDCZUDW-UHFFFAOYSA-N 309.325 1.959 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 44966650 YOBUPOZRXOXOMO-GHMZBOCLSA-N 300.380 1.478 0 40 DDAB CCC[C@H](C)NC(=O)CCn1nc(O)c2ccccc2c1=O 12784676 KOALFNZGOPUGTN-NSHDSACASA-N 303.362 1.797 0 40 DDAB COc1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1OC 58393222 JPCOXCWSVMBKDJ-OLZOCXBDSA-N 320.389 1.297 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccco2)cc1 3325392 UDCRGHPPWVIJHB-VMPITWQZSA-N 320.370 1.299 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)N1CCCc2ccccc21 10715959 YRTRLZAVKATTAN-VIFPVBQESA-N 303.391 1.847 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 28700512 UMEFGMNPLAHFLI-LBPRGKRZSA-N 301.346 1.056 0 40 DDAB Cc1ccc(S(=O)(=O)Cc2cc(=O)n3ccccc3n2)nc1 48300833 JHYLECICBQXXQA-UHFFFAOYSA-N 315.354 1.372 0 40 DDAB O=C(O)c1ccccc1NC1=CC(=O)N(Cc2ccco2)C1=O 11613100 SJDGRTMTYKBVPL-UHFFFAOYSA-N 312.281 1.843 0 40 DDAB biogenic CCCn1nc(C(=O)N2CCn3cccc3[C@H]2C)ccc1=O 29378523 NADRYODLDORVQR-GFCCVEGCSA-N 300.362 1.672 0 40 DDAB C[C@@H](CNC(=O)c1cc(Cl)c(Cl)n1C)N1CCOCC1 29964214 FMWLPYBZFJBELZ-VIFPVBQESA-N 320.220 1.782 0 40 DDAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)cn1 48515836 SQYDUBXSWZSCBQ-CYBMUJFWSA-N 320.393 1.276 0 40 DDAB CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 13006886 ZLFSSESGWRFYGX-CYBMUJFWSA-N 320.414 1.746 0 40 DDAB COC(=O)C1(CNCc2cn3ccccc3n2)CCOCC1 97108630 KUVWOAQKKBTWGD-UHFFFAOYSA-N 303.362 1.394 0 40 DDAB O=C(COC(=O)c1ccc(Cl)s1)NC[C@H]1CCCO1 4242852 ISFHSRSSDHXZCK-MRVPVSSYSA-N 303.767 1.854 0 40 DDAB O=C(CN1CCSC1=O)N1CCN(c2ccccc2)CC1 5298285 SFRRZWHKHHDFBE-UHFFFAOYSA-N 305.403 1.504 0 40 DDAB COc1ccc(CCC(=O)N[C@H]2CCCNC2=O)cc1OC 65495684 CIGXTEULBBOSDI-LBPRGKRZSA-N 306.362 1.031 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N(C)CCCc1ccc(OC)cc1 65578123 RUIYAPSWJHRFRY-LBPRGKRZSA-N 307.394 1.404 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)NCCn1nc(C)cc1C 44159208 KFAIQBWVAQOGSW-UHFFFAOYSA-N 323.418 1.795 0 40 DDAB O=c1[nH]c(CSc2nc3ncccn3n2)nc2ccsc12 9447641 SPAUWKGGKRZWOE-UHFFFAOYSA-N 316.371 1.715 0 40 DDAB O=C(CCc1ccco1)NCc1ccc(N2CCOCC2)nc1 14801239 YMFQAUMJHBWTJM-UHFFFAOYSA-N 315.373 1.760 0 40 DDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9418326 UXCNRTJIRCADFE-OLZOCXBDSA-N 324.427 1.350 0 40 DDAB CNS(=O)(=O)c1cccc([C@H](C)NCc2ccncc2)c1 67010445 QIARKLVISSCELW-LBPRGKRZSA-N 305.403 1.841 0 40 DDAB Cc1ccc(N2CCC[C@H](NCC(=O)N(C)CC3CC3)C2)nn1 71859784 PCESHCFIPQDEFF-HNNXBMFYSA-N 317.437 1.212 0 40 DDAB CNC(=O)CN1CCC(CN(C)c2nc(C3CC3)ns2)CC1 83881830 KXIYNUNNPWNPJK-UHFFFAOYSA-N 323.466 1.310 0 40 DDAB CCOC(=O)CN(C(C)=O)c1ncc(Br)s1 8390720 NLOPOJPUQJRDSM-UHFFFAOYSA-N 307.169 1.822 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1 72052244 RUJZXWVBVFYGAZ-ZDUSSCGKSA-N 302.378 1.851 0 40 DDAB COC(=O)[C@@H](C)CN(C)C(=O)c1cncn1-c1ccccc1 69441080 DVMWJLLDYYOISP-LBPRGKRZSA-N 301.346 1.753 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)CCC(=O)c1ccccc1 69433600 SWCSPMGBHWRQAD-CQSZACIVSA-N 302.374 1.906 0 40 DDAB C[C@@H]1CCO[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 97372133 DYEJEOQNBXXZAO-DDTOSNHZSA-N 322.792 1.765 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc(C)n(CC)c1C)C2 69535531 GUWMFQAAAOMKTF-UHFFFAOYSA-N 301.394 1.935 0 40 DDAB c1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n[nH]1 69518247 HDNJQAFWTKQBFC-CYBMUJFWSA-N 302.382 1.424 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)Nc2cc(C(C)C)no2)c1 69632750 NPZUOOPRNRWXLP-LBPRGKRZSA-N 305.382 1.920 0 40 DDAB Cc1cc(N2CCCC[C@@H]2Cn2nc(C)nc2C)nc(N)n1 69621433 LGZDPSJDBIBZKT-CYBMUJFWSA-N 301.398 1.635 0 40 DDAB O=C(Nc1cccc(-c2noc(Cn3cncn3)n2)c1)C1CC1 69894122 QDEBITDRJNHZDN-UHFFFAOYSA-N 310.317 1.725 0 40 DDAB CCOCCN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C 69817622 MVJOONFBDMRCQU-ZDUSSCGKSA-N 307.442 1.235 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1cnc(N3CCCC3)nc1)CC2 69951723 HDDNNLBLAYSQCK-AWEZNQCLSA-N 313.409 1.081 0 40 DDAB CCOc1cc2c(cc1CN(C)CC(=O)N(C)C)O[C@H](C)C2 69979152 CXHORSPDRACSLX-GFCCVEGCSA-N 306.406 1.929 0 40 DDAB Cc1csc([C@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)n1 95436896 DZDOJCZWHZHYOS-CMPLNLGQSA-N 322.434 1.965 0 40 DDAB CC(=O)c1ccccc1OC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 27228767 KFLMJLOBTBXGAN-UMVBOHGHSA-N 307.390 1.738 0 40 DDAB CN(C[C@@H]1CCCN1c1cccnn1)c1ncnc2[nH]ccc12 72276317 ZIJHIBUIFJTKBY-LBPRGKRZSA-N 309.377 1.853 0 40 DDAB O=C(CN1CCOC[C@H]1[C@@H]1CCCC1=O)Nc1cccc(F)c1 95945699 JOZPKWMSINULKY-GJZGRUSLSA-N 320.364 1.834 0 40 DDAB O=c1ccc(C(F)(F)F)nn1Cc1nc(-c2ccco2)no1 95974168 DDTOFVBKOHXHAW-UHFFFAOYSA-N 312.207 1.953 0 40 DDAB Cc1cc(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)ncn1 95974206 JUWYNGAXSSCDPS-CQSZACIVSA-N 304.394 1.393 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCCC[C@@H]1C(=O)O 95970332 YACLWKPZOAWDGX-MELADBBJSA-N 313.394 1.722 0 40 DDAB CN(CCN1C(=O)CCC1=O)[C@@H]1CCCN(c2ccccc2)C1 89346172 IYXQAKLXPDOTGB-MRXNPFEDSA-N 315.417 1.736 0 40 DDAB CC(C)CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 113939338 QXZVXFNDVNDUGI-UHFFFAOYSA-N 320.361 1.503 0 40 DDAB CCN1CCCC[C@H]1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 75092532 JCWYBIXKFCILIB-WCQYABFASA-N 323.359 1.570 0 40 DDAB Cc1nn(C)c(C)c1OCc1cccc(S(=O)(=O)N(C)C)c1 89512325 IKIDXAMTLSWZIQ-UHFFFAOYSA-N 323.418 1.866 0 40 DDAB Cc1nc([C@@H]2CCCN2C[C@H](O)COC[C@@H]2CCCO2)no1 75573138 AOSMIKGFGHZCGD-IHRRRGAJSA-N 311.382 1.071 0 40 DDAB Cc1ccc(NC(=O)Cn2ccnc2S(C)(=O)=O)c(C)c1 76092609 WXXAYLFWTRHFFB-UHFFFAOYSA-N 307.375 1.542 0 40 DDAB FC(F)(F)c1nsc(NCC23COCCN2CCOC3)n1 1550635624 GMVMLADIIOBMNT-UHFFFAOYSA-N 324.328 1.070 0 40 DDAB O=C(NCc1ccccc1)C(=O)NC[C@H](O)C1CCCCC1 70636778 SFPLAQQMATWTLI-HNNXBMFYSA-N 304.390 1.360 0 40 DDAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227557 GJEKQFHJPBJSFV-CVEARBPZSA-N 312.325 1.839 0 40 DDAB Cc1nccnc1[C@H]1CCCN1S(=O)(=O)c1cn(C)cn1 72364486 CPVGQYVQQNIKHK-LLVKDONJSA-N 307.379 1.044 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 74051905 GZMPJFPYHAGWGT-ZFWWWQNUSA-N 304.390 1.719 0 40 DDAB O=C(Cc1noc(C2(O)CCCC2)n1)NCc1ccccc1 125378434 RSUOUVYRIOEJPG-UHFFFAOYSA-N 301.346 1.690 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)n(C)n1 78061542 PTUUPWXRYKDLIG-HZMBPMFUSA-N 318.402 1.948 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccco2)C[C@@H](C)O1 72238386 MUBUEJVNWLAPBH-BZPMIXESSA-N 306.362 1.406 0 40 DDAB Cc1nc([C@H]2CCN2C(=O)c2cc[nH]n2)cc(N2CCCC2)n1 72387486 ZTPOXDPSFUAOBR-CQSZACIVSA-N 312.377 1.696 0 40 DDAB O=C(Nc1ccc(F)cc1)N1CCN(CCn2cccn2)CC1 75156477 YMOKJTMEXKBALB-UHFFFAOYSA-N 317.368 1.872 0 40 DDAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc[nH]n2)CC1 49759166 BKAJWZVLPQTWBI-UHFFFAOYSA-N 312.373 1.753 0 40 DDAB C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)c1nncn1C 329909154 MHONTYXOTPVELZ-NSHDSACASA-N 302.382 1.660 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(F)c1)C(=O)N2 40386739 ZDMASXPKINTIRD-VIFPVBQESA-N 303.297 1.323 0 40 DDAB CN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 49914626 HTBPJPORZGAPAQ-MFKMUULPSA-N 305.346 1.117 0 40 DDAB c1nc(NN2CCCCC2)c2cnn(C3CCNCC3)c2n1 228935612 LZHWZFUQKXHLGU-UHFFFAOYSA-N 301.398 1.564 0 40 DDAB COc1ncc(Cl)c(NCCc2cccc(C(N)=O)c2)n1 95426213 SBVNZYCRORVDQS-UHFFFAOYSA-N 306.753 1.892 0 40 DDAB Cc1cc(NC(=O)N2CC[C@H](C(=O)N(C)C)C2)cn2ccnc12 333939491 NHBUCSDNDOIDIR-LBPRGKRZSA-N 315.377 1.585 0 40 DDAB CS(=O)(=O)N1C[C@H]2CCCN(Cc3cccs3)[C@H]2C1 96054175 ZQTFENNJQRZJAR-YPMHNXCESA-N 300.449 1.604 0 40 DDAB CC(C)(CNC(=O)NCc1ccccc1F)S(C)(=O)=O 96452299 LAAURLZTZWPVPQ-UHFFFAOYSA-N 302.371 1.448 0 40 DDAB CN(CCn1cncn1)C1CCN(C(=O)OC(C)(C)C)CC1 96445680 RNJTWTLAAXBIEH-UHFFFAOYSA-N 309.414 1.609 0 40 DDAB CCOCC(=O)N1CCC2(CC1)C[C@@H](OCC1CCC1)CO2 96209467 SPDMOKIZLYPHDB-OAHLLOKOSA-N 311.422 1.990 0 40 DDAB COC(=O)[C@H]1CCC[C@@H]1C(=O)N1CCC(c2cnn(C)c2)CC1 97233547 MDWHICRMUNPDJU-GJZGRUSLSA-N 319.405 1.715 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2)C1CCC1 96208945 CWLWWVCNPJEBKR-WBVHZDCISA-N 304.390 1.644 0 40 DDAB O=C(c1ccco1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96188554 ITJZNQRBBPNPOM-ZDUSSCGKSA-N 311.345 1.645 0 40 DDAB O=C1C[C@@H]2[C@@H](CCN2c2ncc(F)cn2)N1Cc1cccnc1 96081308 YHJXKTKEMDPMDN-ZIAGYGMSSA-N 313.336 1.391 0 40 DDAB COc1cccc2c1CCN(C(=O)N[C@H](C)Cn1cncn1)C2 96501271 HAGKFSDXTUEZNG-GFCCVEGCSA-N 315.377 1.443 0 40 DDAB Cn1cc(CNC(=O)N2CCC[C@H](O)C2)c(-c2ccccc2)n1 96501406 UWIUIHBNPHDIOU-HNNXBMFYSA-N 314.389 1.753 0 40 DDAB C[C@@H](c1ccccc1)N(C)C(=O)NCCNC(=O)c1ccn[nH]1 96500173 ZLMCIYKKOKXXMB-LBPRGKRZSA-N 315.377 1.542 0 40 DDAB O=C([C@H]1CCCOC1)N1CCC2(CC(Nc3ccncn3)C2)C1 257317787 VLDIBMHBTJXWFQ-CBCUQQMYSA-N 316.405 1.696 0 40 DDAB CNC(=O)c1cnn2c(C3CCN(C(C)C)CC3)ccnc12 257343053 ZRGUKUZTSARWCO-UHFFFAOYSA-N 301.394 1.677 0 40 DDAB O=C(N1C[C@@H](O)[C@H](N2CCCC2)C1)C1(c2ccccc2F)CC1 257310518 UFKAKCWJSWPTFP-HZPDHXFCSA-N 318.392 1.525 0 40 DDAB CCc1cc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)no1 257307332 SYFJUUQRCMYJLP-SNVBAGLBSA-N 302.334 1.752 0 40 DDAB O=C(/C=C/c1ccccc1Cl)N1CC(N2C(=O)COC2=O)C1 252548744 QJTAUJDKJORCQN-AATRIKPKSA-N 320.732 1.543 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCCc2ccncc2)c1 257277801 NZKYOSSXTMOGKJ-UHFFFAOYSA-N 321.384 1.699 0 40 DDAB COc1cc(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)ccn1 297692048 WYNXSPHTQOQTBR-CYBMUJFWSA-N 307.394 1.783 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H](O)c1ccoc1 96026062 ZASGFKJTCWQJKP-LBPRGKRZSA-N 313.379 1.032 0 40 DDAB CCc1nc(CN2CCC[C@H](NCCn3cccn3)C2)no1 69770119 KOTICXCHVDTIEB-ZDUSSCGKSA-N 304.398 1.083 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2cccc3[nH]ccc23)CC[C@@H]1O 585260792 FJKOBMWWMZEERQ-IRXDYDNUSA-N 301.390 1.629 0 40 DDAB Cn1cc(C(=O)Nc2nnc(C3CC3)n2C)c(-c2cccnc2)n1 585113378 XMUOVHNMQALGPI-UHFFFAOYSA-N 323.360 1.740 0 40 DDAB COc1cccc(CNCc2cnc(N3CCOCC3)nc2)c1 65462586 HQBVCDLDGAPJEQ-UHFFFAOYSA-N 314.389 1.612 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(c3ccccn3)CC2)cn1 71841279 JLJOZRHZOOFNRL-HUUCEWRRSA-N 311.389 1.267 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)n1cncn1 72234057 UPKRWGWHYSWVPB-OLZOCXBDSA-N 302.382 1.553 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(CCn3cccn3)C2)nc1 1776000478 IAELCHIFIJOGQE-HNNXBMFYSA-N 301.394 1.773 0 40 DDAB O=C(N[C@H]1COc2ccccc21)c1cnc2n(c1=O)CCS2 58968037 DRLGZFOGECLWOL-NSHDSACASA-N 315.354 1.213 0 40 DDAB Cc1cc(C)c(C(=O)NCCC(=O)N2CCCC[C@H]2C)c(=O)[nH]1 73245667 GVKBVLAZBDEQLG-CYBMUJFWSA-N 319.405 1.513 0 40 DDAB CCN(C(=O)CSCCN1C(=O)NC(C)(C)C1=O)C1CC1 56242072 JCEZJUZHYRQKBC-UHFFFAOYSA-N 313.423 1.061 0 40 DDAB COc1ccc(CN(C)CC(N)=O)c(Br)c1OC 56493726 IFCWKMAMSJLFIX-UHFFFAOYSA-N 317.183 1.383 0 40 DDAB O=C(Cc1cccc2cccnc12)NCCNc1cnccn1 56497343 UUBXTSFZFJHAJA-UHFFFAOYSA-N 307.357 1.796 0 40 DDAB COc1ncnc(N)c1CNc1cccc(Cn2cnnc2)c1 85331220 IWWLZJSJEDQUPE-UHFFFAOYSA-N 311.349 1.319 0 40 DDAB CCc1nc(Cl)c(C)c(N2CCC(S(N)(=O)=O)CC2)n1 96449397 SGGOBYBGUJBAIQ-UHFFFAOYSA-N 318.830 1.258 0 40 DDAB Brc1cnn(CC2CN(C[C@@H]3CCCO3)C2)c1 1889064691 GLNAPOKHBHXVEY-LBPRGKRZSA-N 300.200 1.756 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N(C)C1=S 8091432 KKSGWMRLZATNCS-XFFZJAGNSA-N 324.789 1.913 0 40 DDAB Cc1ccccc1NC(=O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O 5982001 WUQKUDDPOSWVHA-QLFBSQMISA-N 301.390 1.723 0 40 DDAB Nc1cc(-c2ccco2)nn(CC(=O)NC2CCCCC2)c1=O 12146608 GPULFTRXWBEHFR-UHFFFAOYSA-N 316.361 1.534 0 40 DDAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(N)=O)C2)on1 12154613 YKHQANWMPIMQGE-GFCCVEGCSA-N 315.377 1.413 0 40 DDAB CC(C)(CO)NC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12407846 NKCVEYASVUBTIJ-UHFFFAOYSA-N 300.318 1.719 0 40 DDAB Cc1nn2c(=O)cc(COC(=O)c3ccccc3)nc2s1 15733932 BNCSIXVOYQYBIO-UHFFFAOYSA-N 301.327 1.816 0 40 DDAB Cn1nccc1C(=O)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 19289086 HPYKBVLRVLTMPT-NSHDSACASA-N 324.344 1.495 0 40 DDAB Cn1cc([C@@H]2CN(Cc3ccccn3)C[C@H]2N)c2ccncc21 19290470 VOZRGFQTKNFRPT-DLBZAZTESA-N 307.401 1.895 0 40 DDAB CN1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 19973534 DUFFZUGFZRJABX-INIZCTEOSA-N 300.402 1.827 0 40 DDAB O=C(c1ccc(N2CCOCC2)cc1)N1C[C@H]2C[C@H]1CS2 575608331 SDUFEOGNLWDERR-LSDHHAIUSA-N 304.415 1.853 0 40 DDAB Cc1nnc2c(N3CC[C@@H](C(=O)NC(C)(C)C)C3)nccn12 1889084240 QHDOIKUUKCWYQI-LLVKDONJSA-N 302.382 1.174 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2ccncc2Cl)C1)C1CC1 1889101398 PRIYVIMKRRIZDC-SNVBAGLBSA-N 315.826 1.786 0 40 DDAB CN1C[C@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 1614945682 IWCLBPBAOQZRBO-QGZVFWFLSA-N 312.373 1.315 0 40 DDAB O=C(CC1(O)CCC1)N1C[C@H]2CN(c3ccoc3)C(=O)[C@H]2C1 1565545619 JELRTBSWFRTULL-AAEUAGOBSA-N 304.346 1.006 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 8844907 SBUMMNCNWGVRLJ-UHFFFAOYSA-N 307.325 1.875 0 40 DDAB CCOc1ccc(-n2nnnc2CNC(=O)c2ccccc2)cc1 10592058 DENZHBOHMPHIKM-UHFFFAOYSA-N 323.356 1.991 0 40 DDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(Cc2ccccc2)C1 2055771821 BNKPGPLDROYVOV-SFHVURJKSA-N 312.417 1.963 0 40 DDAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](N2CCOC2=O)C1 618257554 XSNFXBPELDBDOT-RYUDHWBXSA-N 322.336 1.646 0 40 DDAB COc1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c(O)c1 31459670 BYASAEKKOMJTOH-UHFFFAOYSA-N 318.373 1.532 0 40 DDAB CC(=O)NCCNC(=O)c1cnn(-c2ccccn2)c1C(C)C 40513915 GQTUNNFTNQHBKA-UHFFFAOYSA-N 315.377 1.257 0 40 DDAB CN1C[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)CC1=O 40514237 OLVMETHAGASZEA-CYBMUJFWSA-N 321.446 1.261 0 40 DDAB CCc1nc(C)c(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)s1 51468602 RERJQVFNVVHVRT-GHMZBOCLSA-N 311.451 1.853 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NC[C@H]1CCOC1 41369711 YUSVZTHQGDFZCT-SNVBAGLBSA-N 307.375 1.001 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cccc[n+]2[O-])C1 53304751 PXIATBZKJDFBJS-OKILXGFUSA-N 305.422 1.806 0 40 DDAB C[C@H](NC(=O)CSc1nccc(=O)[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 103411794 HACWSAJBRRPZHS-FIQHERPVSA-N 307.419 1.803 0 40 DDAB CC(=O)[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)Nc2ccccc21 68449 PEGJIOZXODSSOB-QAPCUYQASA-N 309.321 1.914 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)OCCO2 24723791 BRRRADXSULQKIA-LBPRGKRZSA-N 307.346 1.775 0 40 DDAB CCN(CC)c1ccc(NC(=O)N[C@@H](C)c2nncn2C)cn1 46962721 IBKBHGQGVXFRKY-NSHDSACASA-N 317.397 1.939 0 40 DDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1 3536908 OUULCEMTEAPMEG-LLVKDONJSA-N 311.407 1.147 0 40 DDAB O=C(CNC(=O)c1ccc(-n2cccn2)cc1)NCc1ccco1 7954162 NYQIEMZSAXVDID-UHFFFAOYSA-N 324.340 1.512 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)n(C)n1 43433622 JVOIJINHZVMYKI-GFCCVEGCSA-N 310.304 1.862 0 40 DDAB Cc1n[nH]c(C(=O)N2CCO[C@@H]3CCC[C@H]32)c1Br 56198361 VYSQCGABLAWMHY-RKDXNWHRSA-N 314.183 1.874 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCCN(Cc2ccccc2)CC1 26357582 RUFJECJQYUXSDI-UHFFFAOYSA-N 311.385 1.723 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C1CCCCC1 57419769 OCZIJLPPOJSBHT-UONOGXRCSA-N 314.451 1.928 0 40 DDAB Cc1cc(C)c2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1 54195697 OQZWQRPXJMEFIK-UHFFFAOYSA-N 300.358 1.797 0 40 DDAB COC(=O)c1ccoc1CN1C(=O)c2ccccc2S1(=O)=O 58217328 YEJVYZRMVGXYHQ-UHFFFAOYSA-N 321.310 1.411 0 40 DDAB C[C@@H](c1c(F)cccc1F)n1cnc2c1c(=O)n(C)c(=O)n2C 44978126 RHYDLNOQICKGQB-QMMMGPOBSA-N 320.299 1.321 0 40 DDAB COc1ccc2c(=O)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c[nH]c2c1 44936341 VHJQUTWVDYCAAQ-QWRGUYRKSA-N 316.357 1.786 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1F 44935964 UFUYUVKKRWMPBM-SNVBAGLBSA-N 313.354 1.398 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC(CO)CC1 44966468 WRIWVKHEIYSIRC-OAHLLOKOSA-N 321.421 1.830 0 40 DDAB OCCN1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 58364032 UBRLBEBZXKVDDB-UHFFFAOYSA-N 305.353 1.591 0 40 DDAB CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 106547185 JLLKVSDVAVJNGG-RDBSUJKOSA-N 311.378 1.575 0 40 DDAB CC1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1 45745022 NDJCQFUEYORSDB-UHFFFAOYSA-N 314.426 1.977 0 40 DDAB C[C@@H](C(=O)N1CCC(c2ccc(O)cc2)CC1)n1cncn1 45890568 ACCQQUXBZSXPPV-LBPRGKRZSA-N 300.362 1.951 0 40 DDAB Cc1ccc(CNC(=O)NCCNC(=O)c2ccco2)cc1 29316115 LWSOYKSWPYVHOT-UHFFFAOYSA-N 301.346 1.817 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)N2CCCCCC2)C1 46035350 PCYMSFDGNRXSEY-HUUCEWRRSA-N 317.499 1.675 0 40 DDAB COc1ccc(OCCNC(=O)Cn2ccccc2=O)cc1 46689518 XOGBRAOOTLZMEN-UHFFFAOYSA-N 302.330 1.052 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1ncc(Cl)c(Cl)c1=O 3464680 GQVDADJYCNCBRO-UHFFFAOYSA-N 321.164 1.174 0 40 DDAB Cc1ccc2nc(Cn3c(=O)cnc4ccccc43)cc(=O)n2c1 12985801 WJZLSFCQTBGZFV-UHFFFAOYSA-N 318.336 1.761 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 3884745 JIVAENNOJFLNHO-UHFFFAOYSA-N 307.327 1.569 0 40 DDAB COC[C@H](C)NC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 84633046 QNILULYMLIHPLG-QRGHLMKCSA-N 318.377 1.470 0 40 DDAB COCCCNC(=O)[C@H](C)Sc1nnc(OC(C)C)s1 49422783 CAGKNBBSRDEDSX-VIFPVBQESA-N 319.452 1.959 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nnnn1C1CCCCC1 9255607 GNAWKJRXNUSDDT-QMMMGPOBSA-N 312.399 1.115 0 40 DDAB Cc1cc(O)n2nc(CC(=O)Nc3ncc(C)s3)nc2n1 13623878 DPZMNJMPAAGQAH-UHFFFAOYSA-N 304.335 1.084 0 40 DDAB Cc1c(CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)cnn1C 13626768 OCYCNQLJHJIYCB-UHFFFAOYSA-N 311.345 1.465 0 40 DDAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)cc1 13691808 IIDMMSHQAPTMAC-GFCCVEGCSA-N 313.317 1.311 0 40 DDAB CNC(=O)NC(=O)CSc1nccn1-c1ccc(OC)cc1 5262951 ZXKORBRHOWKMFX-UHFFFAOYSA-N 320.374 1.429 0 40 DDAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc(C2CC2)[nH]n1 65563204 NJIOBNPXNIJPJI-CYBMUJFWSA-N 320.418 1.328 0 40 DDAB CC(C)(C)[C@H](NCC(=O)N1CCNC(=O)C1)c1ccccc1 65551737 KUVYIMDBFLIDJZ-MRXNPFEDSA-N 303.406 1.322 0 40 DDAB C[C@H]1CN(CCC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)O1 19791867 AFJZQAUFRDQTGO-STQMWFEESA-N 320.389 1.896 0 40 DDAB O[C@@H](CN1CCN(Cc2cscn2)CC1)c1ccccc1 65952977 JAKANYQLQOHIIT-INIZCTEOSA-N 303.431 1.994 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)N(C)CC(C)C)cc1 65988328 LAQDGVCXMPNSFM-UHFFFAOYSA-N 313.423 1.392 0 40 DDAB CC[C@H](NC[C@H](O)Cn1cc(C=O)c2ccccc21)C(=O)O 5521148 XMDUUIUMKBBMIH-JSGCOSHPSA-N 304.346 1.268 0 40 DDAB Cc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 6651649 IGKDNHPDZOGITA-VULZFCBJSA-N 311.362 1.830 0 40 DDAB CCN(CC)CCNC(=O)c1nc(-c2cccc(OC)c2)no1 4721581 VSEAJQNQQYLAKA-UHFFFAOYSA-N 318.377 1.817 0 40 DDAB CCCOc1ccccc1OCC(=O)N1CC[C@H](C(N)=O)C1 71793010 ABZZABLCQXYZLE-LBPRGKRZSA-N 306.362 1.188 0 40 DDAB O=C([C@H]1CCCCn2nnnc21)N1CCC2(CCCO2)CC1 71758949 REFQUVVISWHDLC-LBPRGKRZSA-N 305.382 1.112 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 7287726 BCTGEZSAMUCIQT-UHFFFAOYSA-N 321.402 1.571 0 40 DDAB OCCN1CCCN(c2cncc(Br)c2)CC1 95403209 DXYIQVHUWUVPAQ-UHFFFAOYSA-N 300.200 1.349 0 40 DDAB Cn1cc(N2CCN(C[C@H](O)c3c(F)cccc3F)CC2)cn1 80624832 UGMXBKIBDSCTDE-HNNXBMFYSA-N 322.359 1.554 0 40 DDAB CCn1nnnc1S[C@@H](C)C(=O)N1CCc2ccccc21 9500722 GKOVDSHRDWQDFN-JTQLQIEISA-N 303.391 1.763 0 40 DDAB C[C@@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 71841900 KGCLVRPLAISLHI-CYBMUJFWSA-N 314.389 1.830 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCCS(=O)(=O)C(F)(F)F)c1 71882217 MOZLDSZDICJQNS-VHSXEESVSA-N 313.345 1.665 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NC[C@H]1CCOC1 71897698 RMVJLARTZANTLF-NVXWUHKLSA-N 317.433 1.939 0 40 DDAB CCO[C@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 70021110 QRQHIGUWQOURGH-GDBMZVCRSA-N 306.406 1.289 0 40 DDAB CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Cn1cnnn1 71900038 SQGRGWVPDMHPNI-ZDUSSCGKSA-N 321.356 1.422 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2 17636508 HQVZNYFUFVFXHP-NSHDSACASA-N 313.444 1.934 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2ccncc2)C[C@@H]1C 69706745 AYZNZRPNAADLLE-AWEZNQCLSA-N 306.410 1.063 0 40 DDAB COCCc1noc(CN2CCCC[C@@H]2Cn2cc(C)cn2)n1 69841335 HWVYHDGSATVUNP-CQSZACIVSA-N 319.409 1.818 0 40 DDAB O=Cc1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1 8718063 IZBDZAAWXKMQBR-UHFFFAOYSA-N 308.293 1.864 0 40 DDAB CCn1nnc2cc(C(=O)NCCC(=O)N3CCCC3)ccc21 8748015 JVRUQFWRINIRRF-UHFFFAOYSA-N 315.377 1.194 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 70978006 CHXYCVOVFIMKQF-LLVKDONJSA-N 316.336 1.349 0 40 DDAB Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)N(C)C)cc1 98014177 SIBQBWMNICKEQR-CABCVRRESA-N 312.435 1.859 0 40 DDAB Cc1ccc(CN(C(=O)CN2CCC[C@H](CO)C2)C2CC2)o1 84195407 GDNJRWHDCUVAJG-AWEZNQCLSA-N 306.406 1.783 0 40 DDAB CC(C)C(=O)NCCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97049562 QQUUGCCKQOAZJH-CQSZACIVSA-N 321.425 1.809 0 40 DDAB Cc1cc(C(=O)NCCCn2nc(C)cc2C)nc(N(C)C)n1 72241154 ZTVYSZWHBCSADC-UHFFFAOYSA-N 316.409 1.484 0 40 DDAB CC(C)c1nc([C@H]2CCCN2CC(=O)Nc2nncs2)no1 72279390 DHLKJLMQCVPEKM-SECBINFHSA-N 322.394 1.820 0 40 DDAB CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2nnc(C)o2)ncn1 72276620 HATKXZQJMCDCPK-CMPLNLGQSA-N 317.397 1.529 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 72294947 MOKORJBOJOLPNE-MRXNPFEDSA-N 312.417 1.998 0 40 DDAB O=c1[nH]c2ccccc2nc1CN1CCN(Cc2ccco2)CC1 97201274 BVZPTYDWWGZAOB-UHFFFAOYSA-N 324.384 1.834 0 40 DDAB C[C@@H](C(=O)NCCOC(N)=O)c1ccc(Br)cc1 97371424 FPLAIFRWFCFNCI-MRVPVSSYSA-N 315.167 1.764 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)CCOc1ccccc1Cl 88374351 DAOYQNCCSFYPEI-LLVKDONJSA-N 313.737 1.421 0 40 DDAB CCc1ccccc1OCC(=O)N1CCOC[C@H]1c1ncon1 95981352 RSLGSVMGYCWWKZ-ZDUSSCGKSA-N 317.345 1.611 0 40 DDAB CN(CCCn1ccnc1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 89346113 YOTUDQUNDYOKCF-HNNXBMFYSA-N 318.421 1.380 0 40 DDAB Cc1ccc(OC(=O)Cn2ccc(=O)n(C)c2=O)c(Cl)c1 76019387 RXQQZVJMPYLPCB-UHFFFAOYSA-N 308.721 1.114 0 40 DDAB Cc1nn(C)c(C)c1CCOC(=O)c1ccnc(N(C)C)c1 127060319 JNCOBPXPGPPGEE-UHFFFAOYSA-N 302.378 1.897 0 40 DDAB COc1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)ccc1O 2583018 DVQDNEXWFJBUAV-SNVBAGLBSA-N 311.334 1.921 0 40 DDAB biogenic O=C(Nc1ccc(OC(F)F)nc1)c1noc2c1COCC2 527612533 QHZIDUKNOBNASY-UHFFFAOYSA-N 311.244 1.996 0 40 DDAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnnn1C)C2 32092564 QBGMDBUESVWYEM-LLVKDONJSA-N 306.347 1.127 0 40 DDAB Cc1nc[nH]c1C(=O)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 306123787 AWQHXUHIDPXXSP-AWEZNQCLSA-N 319.405 1.766 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(NCc2nccn2C)nc(C)n1 72386936 KMAPGPSCBADAPM-ZDUSSCGKSA-N 300.366 1.424 0 40 DDAB CCOC[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC 218567954 CNDNXYYGASASDE-QLFBSQMISA-N 315.410 1.708 0 40 DDAB C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 61976015 WHAGJXMUBWIVOL-MRXNPFEDSA-N 317.345 1.113 0 40 DDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 32971884 SIQJWSPCLHROOJ-GXFFZTMASA-N 320.393 1.410 0 40 DDAB O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NCc1ccco1 72800461 RAMIDHDKCIQBID-AWEZNQCLSA-N 319.386 1.130 0 40 DDAB COc1cccc(C(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)c1 217781262 SIHNNCFESIVICD-NSHDSACASA-N 320.370 1.605 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 72241889 MCRUEIPRYRPHCE-HIFRSBDPSA-N 308.353 1.498 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)OCCN2CCCCCC2=O)cn1 78556583 HWECQFCRFCAWGJ-ZIAGYGMSSA-N 305.378 1.469 0 40 DDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H]1CNCCC1(F)F 568609182 YCJUEKYCLYKUHD-DBIOUOCHSA-N 303.353 1.096 0 40 DDAB NC(=O)[C@H]1CC[C@H](CNC(=O)c2nnc3ccccc3n2)CC1 569833945 VFCWAQVEQCAFKW-XYPYZODXSA-N 313.361 1.046 0 40 DDAB CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225004815 NCPNADPHUPBLIE-UHFFFAOYSA-N 312.376 1.089 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@H]2CC[C@@H](SC)C2)CC1 81473287 CZDXTYORQIOMKV-LSDHHAIUSA-N 313.511 1.757 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 45326795 CJQXHOUCYGYBDM-CYBMUJFWSA-N 313.332 1.890 0 40 DDAB CCOC(=O)Cn1nc(-c2cccnc2)nc1-c1cccnc1 40174375 VNBBBCCGLCCHON-UHFFFAOYSA-N 309.329 1.965 0 40 DDAB COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(C)=O 222821237 KMHCVZUWERSJLE-NSHDSACASA-N 312.797 1.840 0 40 DDAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 514289811 OURNOAUUEHWHLJ-ZBFHGGJFSA-N 312.373 1.138 0 40 DDAB biogenic,in-vitro O=C([C@@H]1CCOC1)N1CCc2ncnc(NC3CCC3)c2CC1 96084080 HSUKSOCDKXYEAX-GFCCVEGCSA-N 316.405 1.405 0 40 DDAB COc1ccc(CC(=O)N2CCC3(CCNC3=O)CC2)cc1 96157720 HJRHHQLAUVROMJ-UHFFFAOYSA-N 302.374 1.366 0 40 DDAB CCn1cnc2c1[C@@H](C(=O)O)CN(C(=O)Cc1cccs1)C2 96067844 ZQXNHVQIXDIREE-NSHDSACASA-N 319.386 1.718 0 40 DDAB CCCCN(C)S(=O)(=O)Nc1cccc([S@@](C)=O)c1 96416855 IWTLNDMIUDVDKL-SFHVURJKSA-N 304.437 1.813 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)N1CCC1 96218834 XCLIZZGHMCTRJM-RRFJBIMHSA-N 306.431 1.960 0 40 DDAB Cn1cccc1C(=O)N1CC2(CCN(C(=O)c3cccnc3)C2)C1 96046466 AGJKAFAAGALZHS-UHFFFAOYSA-N 324.384 1.408 0 40 DDAB CC(C)c1ccc(-c2nnn(CCNS(C)(=O)=O)n2)cc1 96404668 MEOKDDMQSCPSNF-UHFFFAOYSA-N 309.395 1.013 0 40 DDAB O=C1C[C@@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1ccccn1 96239172 FXSYJOLBOYUIHP-OAHLLOKOSA-N 321.402 1.003 0 40 DDAB O=C(N[C@@H]1CN(Cc2cccs2)[C@@H]2COC[C@H]12)C1CCC1 96185127 YMULDTSDOOEFNM-RBSFLKMASA-N 306.431 1.864 0 40 DDAB Fc1cnccc1CN1C[C@H]2CCN(c3cnccn3)C[C@H]2C1 96081511 UQCBYNFWDACFCH-UKRRQHHQSA-N 313.380 1.969 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)N1CCCC1 96057204 GTSSWYXYGKIJNU-INMHGKMJSA-N 318.417 1.987 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 242425590 BPXWDRQVNSJUND-LOWVWBTDSA-N 302.323 1.054 0 40 DDAB CNC(=O)[C@H]1CN(C)CCN(CC2=Cc3ccccc3OC2)C1 257236664 HDDJYJKGQPQFQZ-INIZCTEOSA-N 315.417 1.072 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)[C@H]1O 257275592 NPZGJAZKHWAJLE-BZUAXINKSA-N 300.358 1.845 0 40 DDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N(C)C)cc2NC1=O 252485799 HESGQKUYGIXJNI-CYBMUJFWSA-N 312.391 1.827 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)c2[nH]c3ccc(F)cc3c2C)[C@H]1O 257311279 UITNPPNGUNRIAL-UMVBOHGHSA-N 306.337 1.884 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cnn2cccnc12 257221126 DNPKDVVKKFOARO-ZDUSSCGKSA-N 322.372 1.523 0 40 DDAB Cc1noc(C)c1CC(=O)NCCn1ccc2ccoc2c1=O 253472716 OPKZIZDLRWLYIB-UHFFFAOYSA-N 315.329 1.558 0 40 DDAB CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)ccn1 257323783 WLVGEZIYQVFPNG-CYBMUJFWSA-N 321.406 1.397 0 40 DDAB CCOCC(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467371 AWEDONYCCYLFFB-OAHLLOKOSA-N 322.380 1.512 0 40 DDAB O=C1NCCN1C(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 252532987 FQEFBXAQKXMRFH-XYPYZODXSA-N 323.328 1.041 0 40 DDAB CCn1cc(CN2CCCN(c3nnc(C4CC4)o3)CC2)cn1 278415445 ODFFLKLSAMFRQF-UHFFFAOYSA-N 316.409 1.876 0 40 DDAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-n2cncn2)nn1 96097890 DGPPRMUQNHLATN-CQSZACIVSA-N 320.356 1.865 0 40 DDAB CCc1nc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 69627533 OIUNJWOZBSJPQG-OAHLLOKOSA-N 316.405 1.483 0 40 DDAB COC(=O)c1c(C)nn(CC(=O)NCc2ccccc2F)c1C 69696383 MLVKCZQFYJPUAK-UHFFFAOYSA-N 319.336 1.742 0 40 DDAB Cc1cccc(C[C@@]2(CO)CN(Cc3ncc[nH]3)CCO2)c1 585276445 OVPHMCPVAPZPLN-KRWDZBQOSA-N 301.390 1.524 0 40 DDAB O=C1NC(=O)[C@@]2(CCN(C(=O)c3cc4c(s3)CCCC4)C2)N1 72290696 SYBZMVWSEJDWAN-HNNXBMFYSA-N 319.386 1.051 0 40 DDAB COc1ccccc1C(=O)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066003700 MAFSZVCSVUDVAD-OKILXGFUSA-N 324.384 1.694 0 40 DDAB COC1(CNc2ncnc3c2ncn3C)Cc2ccccc2C1 1776000784 KDPZIFXGGNYKKN-UHFFFAOYSA-N 309.373 1.959 0 40 DDAB Cc1noc(C2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 54677929 MLOSABKWIRUCSQ-AWEZNQCLSA-N 300.362 1.784 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3COC[C@H]3C2)C1 872314887 GWEYANZRIGSPBP-MCIONIFRSA-N 324.421 1.738 0 40 DDAB CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 40458892 IWRJKZSOUIAGSN-UHFFFAOYSA-N 310.419 1.540 0 40 DDAB CCn1nc(-c2ccc(OC)c(OC)c2)cc(C(=O)O)c1=O 82459263 XIVXINKBNFDXTE-UHFFFAOYSA-N 304.302 1.646 0 40 DDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)C1CCC1 85467739 BNAXUMKEGOYQQF-HNNXBMFYSA-N 319.380 1.678 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834993 NRTDYHYIYVSCDA-ZWKOTPCHSA-N 323.396 1.807 0 40 DDAB O=C1OC[C@@H](COc2cccc(OC[C@@H]3COC(=O)O3)c2)O1 149227104 PKEDOQRZOIOKGU-VXGBXAGGSA-N 310.258 1.515 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NC1CCCC1 19346564 PUAOOYJFOXGCPI-CQSZACIVSA-N 314.389 1.456 0 40 DDAB Cc1nonc1CC(=O)N1CCC(C(=O)c2cccnc2)CC1 19558934 YFGDLNACNXSIRG-UHFFFAOYSA-N 314.345 1.437 0 40 DDAB C[C@@]1(c2cccs2)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O 158045365 OBOJWHWGVOAJNS-WKEGUHRASA-N 308.281 1.438 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O 205762860 BZOSAYFTGSDIFC-YRNVUSSQSA-N 307.327 1.905 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@@H](CO)C2)cc1OCC 227607240 QSWWLEQSSAIKDM-RDBSUJKOSA-N 323.389 1.346 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)NC[C@@H](C(=O)O)C(C)C 547609666 VEUNQIFZRQNRJT-SNVBAGLBSA-N 303.355 1.769 0 40 DDAB CCn1c(=O)n(CCC(=O)NCc2ccccn2)c2ccccc21 21895962 LJGTYHWOPIHBEX-UHFFFAOYSA-N 324.384 1.924 0 40 DDAB COc1cnccc1C(=O)N1CCC[C@]2(CCN(C)C2=O)C1 1614932750 CLKDYLSXSAEACC-INIZCTEOSA-N 303.362 1.175 0 40 DDAB COC(=O)C1=C(NC(=O)c2ccc(OC)c(OC)c2)CCS1 265354 FENUSOZJKFTMEU-UHFFFAOYSA-N 323.370 1.955 0 40 DDAB CCCCNS(=O)(=O)CCNC(=O)c1cccc(OC)c1 5301857 CRGPWALIVMBZDA-UHFFFAOYSA-N 314.407 1.145 0 40 DDAB Cc1ccccc1-c1ccc(=O)n(CC(=O)N2CCOCC2)n1 5409758 RRXPGAHGJLNHAT-UHFFFAOYSA-N 313.357 1.078 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2nnc([C@H]3CCCO3)o2)cc1 10970761 DQOBJKRZPCSBPD-LLVKDONJSA-N 317.301 1.960 0 40 DDAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccon1 11988634 DMJJJKWNQHFOEV-UHFFFAOYSA-N 303.293 1.600 0 40 DDAB O=C(NCc1cn(-c2cccs2)nn1)c1cncc(F)c1 575617778 WTUZZIINBRZIIV-UHFFFAOYSA-N 303.322 1.793 0 40 DDAB CCCCCNC(=O)c1c(N)n(N)c2nc3ccccc3nc12 5030715 UFSGLCUTIGQIMV-UHFFFAOYSA-N 312.377 1.801 0 40 DDAB NC(=O)c1ccccc1OCC(=O)N1CCc2ccccc2C1 3357357 PLISDQXOMUITEB-UHFFFAOYSA-N 310.353 1.749 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)COc1ccc(Cl)cc1 20080345 PCMYWAQZOOTZNL-LBPRGKRZSA-N 313.781 1.983 0 40 DDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 30335421 RTFKDTISFYFPBW-UHFFFAOYSA-N 321.782 1.579 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)NCCn1ccnc1 40489017 PLOSZYUCKMORFA-UHFFFAOYSA-N 307.375 1.107 0 40 DDAB Cc1ccc(CC(=O)Nc2ccc(N3CCOCC3)nc2)cn1 40554678 WIZFOZUZTCRITC-UHFFFAOYSA-N 312.373 1.803 0 40 DDAB C[C@@H](NC(=O)COc1cccc(S(C)(=O)=O)c1)c1ccco1 40538786 YILKYTGYZHNUDZ-LLVKDONJSA-N 323.370 1.939 0 40 DDAB O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F 40527174 KXYVFTOBKYSMMW-QMMMGPOBSA-N 322.308 1.051 0 40 DDAB C[C@H]1C(=O)N(CC(=O)NC2CC2)C(=O)N1c1ccc(F)cc1 20671098 AQTPIYQHWJQGIQ-VIFPVBQESA-N 305.309 1.261 0 40 DDAB CNc1nc(Oc2ccc(O)nn2)nc(N2CCCCCC2)n1 20745183 CFQXJOKMWGESOV-UHFFFAOYSA-N 317.353 1.582 0 40 DDAB Cc1noc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)n1 32905128 UMMDUKMKARKPJT-UHFFFAOYSA-N 308.301 1.322 0 40 DDAB CNC(=O)C1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 33228553 NBZNQDZMNSREMX-UHFFFAOYSA-N 305.378 1.467 0 40 DDAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ncccc2O)c1 22264313 VTLLIWQTNNCAQM-UHFFFAOYSA-N 306.343 1.584 0 40 DDAB CC(=O)[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21 44233 PEGJIOZXODSSOB-MAUKXSAKSA-N 309.321 1.914 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c2ccc(F)cc2n1 53894343 CTLXXHUEXUYMIZ-SNVBAGLBSA-N 301.321 1.630 0 40 DDAB C[C@@H]1CCCN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)C1 9053761 JCNMQCQCNPGKQT-LLVKDONJSA-N 319.336 1.901 0 40 DDAB Cn1cc(I)c(C(=O)N2CCCC2)n1 2737823 JFSAIAUDEMDLIM-UHFFFAOYSA-N 305.119 1.261 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CCCN(C(=O)C2CC2)C1 84543881 HNCNRJNYSVISQM-ZDUSSCGKSA-N 322.405 1.539 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 23979711 VMKAKEASWLVILA-MRVPVSSYSA-N 305.783 1.508 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(N)=O)c1ccccc1 26161008 SWWLCHFXJPVKKG-INIZCTEOSA-N 322.368 1.582 0 40 DDAB Cn1ccnc1[C@H](NC(=O)N1CCOCC1)c1ccccc1F 27339399 STKCLQUTDMVYNB-CQSZACIVSA-N 318.352 1.690 0 40 DDAB CCc1noc([C@@H](C)N2CCC(c3ccnn3CCO)CC2)n1 58290035 MPHVFKHZVPTLKF-GFCCVEGCSA-N 319.409 1.761 0 40 DDAB Cc1cc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)[nH]n1 58265816 ZDQSWJFBRWCOSS-UHFFFAOYSA-N 319.346 1.022 0 40 DDAB CN(C)C1(CNC2=NS(=O)(=O)c3ccccc32)CCCC1 44972295 WJYVKSZGSXCPKW-UHFFFAOYSA-N 307.419 1.600 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)c1cccn1C 44914095 WNZKBYPDFJSLGU-MRXNPFEDSA-N 311.385 1.381 0 40 DDAB Cn1ccc(C(=O)NC[C@H](O)c2cccc(Cl)c2)cc1=O 44919189 AMTPVGJAEDSRAX-ZDUSSCGKSA-N 306.749 1.502 0 40 DDAB Cc1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2nc1C 36139345 BZHPADLFZOUOID-LBPRGKRZSA-N 319.386 1.164 0 40 DDAB Cc1nn(CC(=O)N[C@@H](C)[C@H]2CCCO2)c(=O)c2ccccc12 27891517 NWNDRAZEUNHJQL-SWLSCSKDSA-N 315.373 1.389 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(F)c2)C1 57318831 BZEGGEYKKBCJNX-GXTWGEPZSA-N 322.380 1.829 0 40 DDAB CN(C)S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 27964157 RIYOMNUHTBDVKW-UHFFFAOYSA-N 308.407 1.170 0 40 DDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C1CCOCC1 23041982 NUQPGJNEGJSKDN-UHFFFAOYSA-N 316.401 1.964 0 40 DDAB Cc1cc(NC(=O)CCn2c(CO)nc3ccccc32)no1 45343848 NZOXDQUFEDLPQB-UHFFFAOYSA-N 300.318 1.854 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2F)C1 37987512 IFONZIAPSJPKQT-LLVKDONJSA-N 314.382 1.227 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@H](C)c1nncn1C 48311294 NJDZGQGBNDUKIT-SNVBAGLBSA-N 304.354 1.169 0 40 DDAB Cc1cccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 12853485 GKYBHIFSNBCIBE-CYBMUJFWSA-N 318.373 1.599 0 40 DDAB C[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)n1cncn1 29957146 GTBVJZFHANDFHS-GFCCVEGCSA-N 300.366 1.151 0 40 DDAB O=C(CCn1ccc2ccc(F)cc21)N[C@@H]1CCS(=O)(=O)C1 13733894 LAAQKIVQXLOKBJ-CYBMUJFWSA-N 324.377 1.474 0 40 DDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1nccs1 13719538 ANIUCZVBOXUXLA-UHFFFAOYSA-N 304.335 1.166 0 40 DDAB COC(=O)c1cccc(C(=O)NCCc2c(C)nn(C)c2C)c1 65567086 PRZHTKSKBQXFPV-UHFFFAOYSA-N 315.373 1.796 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCN2CCN(C)CC2)o1 65592825 WSWGPXSGMFJTPF-UKWDMRDTSA-N 317.433 1.780 0 40 DDAB CCc1ccc(-c2nnn(CC(=O)N[C@@H](C)COC)n2)cc1 14158672 BUGHVPQAMLHPAF-NSHDSACASA-N 303.366 1.054 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 14200224 UWPRIQLSIHDCSX-GFCCVEGCSA-N 305.334 1.354 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@H](c3nccs3)C2)CCC1=O 67047342 KICOUBXQMNQOOQ-NSHDSACASA-N 320.418 1.847 0 40 DDAB COc1ccc(Cl)cc1CCN1C(=O)[C@H]2COCCN2C1=O 97045878 BGJLOLMOHXDPBM-GFCCVEGCSA-N 324.764 1.554 0 40 DDAB Cc1[nH]ccc1C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 97020444 INNBDPFLBPBITD-AWEZNQCLSA-N 306.387 1.839 0 40 DDAB CC(C)[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1nc(C2CC2)no1 68049667 XIGGBUTWIRGZOK-GFCCVEGCSA-N 302.334 1.708 0 40 DDAB CCOc1ccccc1C(=O)OCC(=O)NC[C@@H]1CCCO1 7509398 QCOLZWJSZHAYCB-LBPRGKRZSA-N 307.346 1.537 0 40 DDAB CCNC(=S)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 7580504 MVKDFLDAQWYGSB-ZDUSSCGKSA-N 312.460 1.570 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ncn[nH]1 80623826 JKMFYSHIIWWFFX-UHFFFAOYSA-N 300.771 1.288 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12 7738083 PIEWAZAUDJAMFI-JTQLQIEISA-N 317.345 1.488 0 40 DDAB Cc1ccc(F)cc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 7920174 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CSc1nc2n(n1)[C@H](c1ccc(O)cc1)C=C(C(=O)O)N2 12389677 WEWWJBGNXFJGTI-JTQLQIEISA-N 304.331 1.689 0 40 DDAB Cc1cccc(C)c1OC[C@H](C)NC(=O)NCC[S@@](C)=O 84225403 GXQJOHIIPBMVDG-ZSEKCTLFSA-N 312.435 1.748 0 40 DDAB COc1ncccc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 47521253 HCGGGDYKAOICJR-UHFFFAOYSA-N 322.342 1.898 0 40 DDAB Cc1nc2ccc(N)cc2c(=O)n1CC(=O)Nc1ccccc1 920421 HKOBHODTTJUSTF-UHFFFAOYSA-N 308.341 1.926 0 40 DDAB Cc1c(C(=O)N2CCN(CCO)CC2)oc2c(F)cccc12 78623577 IRLAISMVMBXIBF-UHFFFAOYSA-N 306.337 1.630 0 40 DDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@@H](C(N)=O)C1 53894703 XDAHHQFPKLHYCH-BXUZGUMPSA-N 302.374 1.276 0 40 DDAB Cc1cc(NC(=O)CSc2nnc3nc(O)cc(C)n23)no1 4377387 HZWDWABVYGJSQF-UHFFFAOYSA-N 320.334 1.166 0 40 DDAB Cc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1 4511500 URKAIMCAZNDYLE-UHFFFAOYSA-N 304.331 1.783 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2cc(C)on2)CC1 54459217 SFAYIWRFFGVKRW-UHFFFAOYSA-N 321.406 1.355 0 40 DDAB CC1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 24209078 ILGNTTYFUPBVHS-LLVKDONJSA-N 310.325 1.034 0 40 DDAB Cn1ccc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)n1 108533869 JCQXGZFUYOUJRS-UHFFFAOYSA-N 312.377 1.317 0 40 DDAB COc1ccc(CNC(=O)NCCCN2CCCC2=O)cc1 25053833 YQOQIOTXYCQAOF-UHFFFAOYSA-N 305.378 1.507 0 40 DDAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(O)cc1 58008943 QVKDRPKMFZWFTD-UHFFFAOYSA-N 317.320 1.969 0 40 DDAB O=C(c1cc2cc(F)ccc2s1)N1CCN(CCO)CC1 35110140 PHFQIAUCIYRKPL-UHFFFAOYSA-N 308.378 1.791 0 40 DDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 35154684 NMOUJBQKJVTJSR-NSHDSACASA-N 315.366 1.790 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1 3240255 MEOIQQFSWSCSJZ-CYZMBNFOSA-N 305.378 1.883 0 40 DDAB Cc1nc(NC(=O)c2ccc(=O)n(CC(=O)O)c2)sc1C 35605702 ADYRBDDTEOSLKU-UHFFFAOYSA-N 307.331 1.259 0 40 DDAB in-vitro CC(C)CCCNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 109044641 MTHHOVKQWNJDQD-INIZCTEOSA-N 318.417 1.966 0 40 DDAB Nc1nc(CN2CCN(c3ncccn3)CC2)nc2ccccc12 27343920 OYENOJRUXOEELP-UHFFFAOYSA-N 321.388 1.324 0 40 DDAB C[C@@H](NC(=O)NCCCN(C)c1ccccc1)c1nncn1C 48235210 NILSFKZMVOOFCR-CYBMUJFWSA-N 316.409 1.702 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1cnn(C)c1-n1cccc1 48263427 IYUDCDLWJWGNKO-ZDUSSCGKSA-N 302.378 1.709 0 40 DDAB CN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O 58159721 IFFZNXMQWVECDI-ZDUSSCGKSA-N 308.403 1.074 0 40 DDAB CN(CC1CC1)C(=O)CN1C=Nc2ccccc2S1(=O)=O 58290091 LRKCKLCWWNJGQU-UHFFFAOYSA-N 307.375 1.219 0 40 DDAB COc1ccc(OC)c(CNC(=O)N[C@H](C)Cn2cccn2)c1 44953838 BMJIHHJRNHIJQO-GFCCVEGCSA-N 318.377 1.788 0 40 DDAB C[C@@H](CNC(=O)NCCCn1cccn1)N1C[C@@H](C)O[C@H](C)C1 44954199 FSXTXDSMKVJGLN-RRFJBIMHSA-N 323.441 1.070 0 40 DDAB CC(C)(NCC(=O)NC(=O)NC1CC1)c1ccc2c(c1)OCO2 58343426 IRBFHBPZYZNRGJ-UHFFFAOYSA-N 319.361 1.228 0 40 DDAB C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CC1 58357545 XQZMRPSBFRUQQD-VIFPVBQESA-N 317.432 1.704 0 40 DDAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101451690 IDXMKYCWWSEGFT-FQUUOJAGSA-N 321.760 1.653 0 40 DDAB C[C@H](CNC(=O)N[C@H](C)CCS(C)(=O)=O)c1ccsc1 84637450 OHEYXDRWSSLAKN-GHMZBOCLSA-N 318.464 1.974 0 40 DDAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2cc(=O)n(C)c(=O)n2C)C1(C)C 84671182 LNRQGEBDPKPKJJ-JSGCOSHPSA-N 320.389 1.366 0 40 DDAB Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)cc1 3314680 MVJIUGFTXMOOKZ-UHFFFAOYSA-N 316.313 1.500 0 40 DDAB CC(=O)N1CC[C@@H](NCc2nc3ccccc3n2C)[C@@H](C)C1 84714975 QCFJMSHAUBIYRE-GXTWGEPZSA-N 300.406 1.920 0 40 DDAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccccc1F 10128418 AGQQKDGMRTYZJY-RISCZKNCSA-N 324.352 1.992 0 40 DDAB Cc1noc(C)c1CCC(=O)Nc1nc(C(F)(F)F)n[nH]1 36714284 QYXXNEGUCCSPAB-UHFFFAOYSA-N 303.244 2.000 0 40 DDAB Cc1nc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccccc2)no1 46159542 ABJCVHSLROQGJD-SECBINFHSA-N 309.347 1.320 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(O)nn1 29849697 ZQCMEXTVRGZKHM-RKDXNWHRSA-N 319.283 1.802 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)Cn1c(=O)cnc2ccccc21 12861086 BWCDJTSUBZORBT-UHFFFAOYSA-N 311.345 1.386 0 40 DDAB CC1CCN(C(=O)COC(=O)c2[nH]nc3ccccc23)CC1 4015218 KFOOQRVSIOWZQL-UHFFFAOYSA-N 301.346 1.978 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCCCCCC1 49950278 BGODULPBJPVYHH-ZIAGYGMSSA-N 304.390 1.730 0 40 DDAB Cc1nnc([C@H](C)N2CCC(C(=O)N3CCOCC3)CC2)o1 65474487 GQDHQJYXNUVDPB-NSHDSACASA-N 308.382 1.010 0 40 DDAB O=C(/C=C/c1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 14245836 AARYCSIPITZFOQ-BRAIEQGRSA-N 322.411 1.613 0 40 DDAB COc1ccc(NC(=O)c2ccccc2F)cc1S(N)(=O)=O 6510834 TUTZUHDHFHBYFG-UHFFFAOYSA-N 324.333 1.734 0 40 DDAB CCOc1ccccc1C(=O)N[C@H](C(=O)N(C)OC)C(C)C 6778252 CYIZKYHRRYZAIX-AWEZNQCLSA-N 308.378 1.860 0 40 DDAB COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1 27561788 SDSKELWGYUTNNA-CQSZACIVSA-N 315.373 1.530 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)CCC(=O)c1ccc(F)cc1 6985169 RAPCSEIDZQXHJE-UHFFFAOYSA-N 308.353 1.820 0 40 DDAB CCc1nnc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)s1 7347233 ILOFQLIDQNMPCA-JVXZTZIISA-N 312.420 1.493 0 40 DDAB COCCc1noc(CN2C[C@H](C)C(=O)Nc3ccccc32)n1 80734958 PZCSPWHFRNWYSR-NSHDSACASA-N 316.361 1.853 0 40 DDAB O=C(O)c1csc(CNC(=O)[C@H]2COc3ccccc32)n1 90932676 LYVASRJPDBHZAM-VIFPVBQESA-N 304.327 1.634 0 40 DDAB O=C(C[C@@H](NC[C@@H]1CCCO1)C(=O)O)Nc1ccc(F)cc1 16791125 RTCJHAOCWCDZTQ-QWHCGFSZSA-N 310.325 1.376 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1ccc(-n3cccn3)nc1)C2 69453156 NZQDYBOFEQTQJU-UHFFFAOYSA-N 323.360 1.077 0 40 DDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)CCO2 97013411 UZUHBNBZVBVLQS-LBPRGKRZSA-N 320.374 1.026 0 40 DDAB O=C1NCCN(C(=O)c2ccon2)[C@@H]1c1ccccc1Cl 97086595 GTYYTVCWNHRNOZ-GFCCVEGCSA-N 305.721 1.641 0 40 DDAB C[C@@H](O)CN1CCC(CNCc2nnc(C(C)(C)C)o2)CC1 69595927 GZXKSAJTCBJRSZ-GFCCVEGCSA-N 310.442 1.550 0 40 DDAB CCO[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 71825554 WITXGPUEXKKAJU-LBPRGKRZSA-N 304.346 1.622 0 40 DDAB O[C@@H](CN1CCN(CCOCC(F)(F)F)CC1)c1ccco1 69627738 AJJFENKHWWQPIL-LBPRGKRZSA-N 322.327 1.510 0 40 DDAB COCCN1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 69627899 OZSVLIMFLYKHLS-UHFFFAOYSA-N 300.406 1.636 0 40 DDAB Cc1nnc([C@H](C)N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)o1 69608450 PBJWDNYCRLLAOJ-KKUMJFAQSA-N 321.469 1.929 0 40 DDAB CCOc1nnc(CN2CCCC[C@H]2Cn2cncn2)s1 69696562 DTPKLBDGGSJZSS-NSHDSACASA-N 308.411 1.583 0 40 DDAB C[C@@H]1CCN(C(=O)CN2CCN(CCO)CC2)[C@@H]2CCCC[C@H]12 69702177 UZXOSASHCMTBNF-BRWVUGGUSA-N 323.481 1.024 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2nnc(Cc3cccc(F)c3)s2)N1 69812700 CKSYAEZGOYEYRX-JTQLQIEISA-N 320.349 1.485 0 40 DDAB CCCCn1nnnc1CN[C@@H]1CCCN(c2cccnn2)C1 69810237 HKBKOHJUDPRAAA-CYBMUJFWSA-N 316.413 1.022 0 40 DDAB c1cnnc(N2CCC[C@H](NCc3nnc(C4CC4)o3)C2)c1 69877447 NPYTURJHWQBMRA-LBPRGKRZSA-N 300.366 1.496 0 40 DDAB C[C@@H](c1cccnc1)N1CCN(c2ccc3nncn3n2)CC1 69878800 WBOZPPBRSQSOIT-ZDUSSCGKSA-N 309.377 1.403 0 40 DDAB CCCNC(=O)NC(=O)CSc1ncn(-c2ccccc2)n1 8709301 IDKXCIKWRVZOPO-UHFFFAOYSA-N 319.390 1.595 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CNCCn2cccn2)cc1C 72267841 OCZWYNHWJKZFJO-HNNXBMFYSA-N 300.406 1.967 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269130 MKMQUMQNQKRJIA-ZIAGYGMSSA-N 307.394 1.217 0 40 DDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1cccc(F)c1 21699717 MWFQXWHRMHOBMN-ZDUSSCGKSA-N 317.382 1.690 0 40 DDAB CN(c1nc(CN2C(=O)[C@H]3CCCN3C2=O)cs1)C1CC1 95417715 GWJHTGPSPTXDOY-LLVKDONJSA-N 306.391 1.668 0 40 DDAB CNC(=O)c1cccc(C(=O)NC[C@H](O)C2CCCCC2)c1 95404213 SJFYSLIQPYVHAS-HNNXBMFYSA-N 304.390 1.717 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1csc(-c2ccco2)n1 88375905 QGFMJIXEZQOXBH-SECBINFHSA-N 308.315 1.329 0 40 DDAB CN(CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CCCC1 89346238 DOFUYQPDOHYCEC-OAHLLOKOSA-N 321.465 1.626 0 40 DDAB CS(=O)(=O)CCN(C(=O)CSc1cccs1)C1CC1 89484281 YONQNVIBJFRPDY-UHFFFAOYSA-N 319.473 1.876 0 40 DDAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1 89888025 ZSWNNNMDXVAKHX-IUODEOHRSA-N 319.405 1.593 0 40 DDAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1ccc(CO)o1 67890277 LXEFAUSXXGGCRY-BZNIZROVSA-N 320.389 1.999 0 40 DDAB biogenic,in-vitro O=C(O)c1nccnc1C(=O)Nc1cc(-c2ccccc2)n[nH]1 71285716 FBVAFIIWKZJXJS-UHFFFAOYSA-N 309.285 1.817 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)N2CCCCC2)[C@H]1c1cccc(F)c1 72241808 JYXRXORGXWWUDX-HZPDHXFCSA-N 320.364 1.737 0 40 DDAB CCOC(=O)[C@H](C)N1CCC2(CC1)NC(=O)c1ccccc1O2 72347627 JOOHKJIFISEBIC-LBPRGKRZSA-N 318.373 1.553 0 40 DDAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CCO 72224713 GGGHIIJUHQKQJM-UHFFFAOYSA-N 321.421 1.982 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(CO)CO 218375459 SICUHXXZRZUCOH-NWDGAFQWSA-N 304.795 1.212 0 40 DDAB NC(=O)N1CCCN(Cc2cc(Cl)nc(Cl)c2)CC1 75684399 WZZMGSLQXCUREQ-UHFFFAOYSA-N 303.193 1.975 0 40 DDAB O=C(CCCc1cccs1)N[C@@H]1CCCS(=O)(=O)C1 79310255 WUBZAUUXHSKBSS-LLVKDONJSA-N 301.433 1.764 0 40 DDAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 79394282 MBHIXGUSEKELLO-IRXDYDNUSA-N 303.450 1.950 0 40 DDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(F)cc1F 69631245 HDLACGVSBZCADP-SNVBAGLBSA-N 319.329 1.594 0 40 DDAB Cc1cc(C(=O)N=c2[nH]nc3n2CCCC3)nn1[C@H](C)C1CC1 329344931 QSQJMYVIWJZTRN-LLVKDONJSA-N 314.393 1.765 0 40 DDAB CS(=O)(=O)N1CCN(c2ccccc2-n2cccc2)CC1 226245393 SMVISBHWIHBUFE-UHFFFAOYSA-N 305.403 1.559 0 40 DDAB Cc1cnn(CC(=O)NCc2ccc(C(=O)O)c(C3CC3)n2)c1 572408682 HSMLQJJAHUOVBF-UHFFFAOYSA-N 314.345 1.479 0 40 DDAB Fc1cnc(N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)nc1 97953437 SNHBYZWRGQSABL-CFVMTHIKSA-N 306.385 1.695 0 40 DDAB O=C(Cn1cnnn1)N[C@H]1CCCN(c2ccccc2Cl)C1 96423040 ALHZXFCTRQRJSQ-NSHDSACASA-N 320.784 1.112 0 40 DDAB O=C(NCC1CC1)C1=NO[C@]2(CCN(Cc3ccsc3)C2)C1 96225473 QBPUWSHJYFWKOB-MRXNPFEDSA-N 319.430 1.995 0 40 DDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 96217980 UTFATKOVBPLPJW-QAPCUYQASA-N 320.433 1.807 0 40 DDAB CC(C)c1cc(C(=O)NCc2ccccc2OCCO)n(C)n1 96474062 QMQMEWBZHYSQTC-UHFFFAOYSA-N 317.389 1.845 0 40 DDAB CN(C)CC(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 96106495 GNBCJYTYFQUUSY-INIZCTEOSA-N 324.465 1.620 0 40 DDAB CCN1CCCC[C@H]1C(=O)NC[C@H](O)CN1CCC(C)CC1 96407853 WKZBOISOMNVTJA-HOTGVXAUSA-N 311.470 1.070 0 40 DDAB Cn1cc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)cn1 96061076 GZBCZIMXCMWCDI-OAHLLOKOSA-N 324.388 1.367 0 40 DDAB CC(C)Oc1ccc(C(=O)Cn2cnnc2[S@](C)=O)cc1 96447778 WCXUZXQIGURERO-OAQYLSRUSA-N 307.375 1.686 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(COCc3cnc(N(C)C)nc32)C1 96244052 QRRXXYOHHWUQQW-MRXNPFEDSA-N 319.409 1.134 0 40 DDAB Cn1cc(N2C[C@]3(CCN(Cc4ccccn4)C3)CC2=O)cn1 96239290 GEEVHOYZUMPIJU-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCC2)NCCC1=CCCCC1 98211225 HXRSBEMDISWIJN-UHFFFAOYSA-N 304.394 1.388 0 40 DDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1ncnn1C 96439813 DHQWQRVLZIVFQS-GFCCVEGCSA-N 301.350 1.365 0 40 DDAB O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[C@H]1C1CCC1 96477420 ZAAJJKULWCYQOF-STQMWFEESA-N 300.424 1.538 0 40 DDAB Cc1ccc(CN2CC3(CCN(CC(=O)N(C)C)C3)C2)s1 96202648 WOHNTARRTOKBIX-UHFFFAOYSA-N 307.463 1.652 0 40 DDAB O=C(OCCNc1cccnn1)c1ccn(-c2ccccc2)n1 96461302 KTBOREOGBIEZEM-UHFFFAOYSA-N 309.329 1.931 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)CC1 96192722 JOQQLGQHHSRQDG-KRWDZBQOSA-N 301.390 1.734 0 40 DDAB CC(=O)N1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257325341 WSOHAARFBABEDY-GFCCVEGCSA-N 315.377 1.157 0 40 DDAB CO[C@H]1CN(C(=O)CCn2ccc(C)n2)CC[C@@]12CCCO2 257295713 QZOZYTNVOIEEAH-HOCLYGCPSA-N 307.394 1.378 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257226498 FKVYDCXERFWDLF-JFIYKMOQSA-N 320.408 1.862 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)C1 63834829 SKXMTOVBSTWAKK-QWHCGFSZSA-N 307.394 1.244 0 40 DDAB Cc1nnc(CC(=O)N2CCN(c3cccc(F)c3F)CC2)o1 265241174 XAWDFRRQSGQAPY-UHFFFAOYSA-N 322.315 1.548 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(C(=O)O)nn2)C1 575415019 JCRXMYZZJBUPBV-SNVBAGLBSA-N 322.365 1.668 0 40 DDAB CCCn1ccnc1CN1CCC[C@@](O)(CCC(=O)N(C)C)C1 585277991 OKJXZHWIBKAINQ-QGZVFWFLSA-N 322.453 1.488 0 40 DDAB Cc1ccc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)cn1 585093095 BTYVSLUXPYLFEM-AWEZNQCLSA-N 309.316 1.378 0 40 DDAB CCOC(=O)c1ccc(N2CCC[C@H](c3nncn3C)C2)nc1 29588488 PWAAOQXWTWQFCZ-ZDUSSCGKSA-N 315.377 1.771 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)CN1CCCCCC1=O)C2 69925607 SYPAEWXNNLINJS-UHFFFAOYSA-N 319.409 1.146 0 40 DDAB C[C@H](Cn1cccn1)NCCCS(=O)(=O)c1ccccc1 69393519 LMSKFXMZSUBZKR-CQSZACIVSA-N 307.419 1.725 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 69565163 FKXVHRCYPUZCJN-DGCLKSJQSA-N 304.394 1.488 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)s2)c(=O)[nH]1 75272554 PIVPQMJPMKEJGO-VIFPVBQESA-N 312.778 1.862 0 40 DDAB COc1ccc(C)cc1C1(CNS(C)(=O)=O)CCOCC1 57024216 NVHRYRDBJLUEQE-UHFFFAOYSA-N 313.419 1.601 0 40 DDAB C[C@@H](C[S@](C)=O)N(C)c1ccc2nnc(C(F)F)n2n1 97377593 JJJANMQNRGQDRI-SVWIBVJCSA-N 303.338 1.265 0 40 DDAB C[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccc(F)cc2)n1 5492070 WOTIQFMHEWKZKZ-LLVKDONJSA-N 303.341 1.880 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)n1 17012621 LSDQFZYSBJNTTK-UHFFFAOYSA-N 315.377 1.406 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(Cc3cncn3C)CCO2)cc1 643914620 SNNOODPCIGNMET-GOSISDBHSA-N 315.417 1.535 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nc3ccccc3s2)CCO1 1889104423 SIYXLVWPAKJJAE-GFCCVEGCSA-N 303.387 1.780 0 40 DDAB CCc1cc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)on1 2037985053 WIJXIMXUSWFNGA-MRXNPFEDSA-N 321.377 1.091 0 40 DDAB O=C([C@H]1CNCC12CCOCC2)N1CCCC(F)(F)CC1 2056226236 NOMYMVJDRYWYOS-GFCCVEGCSA-N 302.365 1.650 0 40 DDAB Cc1nocc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 1565542266 LUMRNXPKKFVNMV-JKSUJKDBSA-N 312.373 1.867 0 40 DDAB CCOc1ccc(N2C[C@@H](C(=O)NCCCOC)CC2=O)cc1 4269411 IQBRLUYRBFFYGY-ZDUSSCGKSA-N 320.389 1.591 0 40 DDAB COC(=O)[C@H](CCSC)NC(=O)NCCc1ccccc1 2097986 KVNSXYKPQJVOPP-ZDUSSCGKSA-N 310.419 1.823 0 40 DDAB biogenic C[C@@](O)(CNC(=O)C(=O)NCc1cccs1)c1cccs1 75155921 JGDRGPNSNBSLPB-CQSZACIVSA-N 324.427 1.450 0 40 DDAB O=C(NCc1ccco1)NC1CCN(c2ncccn2)CC1 40539900 LHQMUNIKXLYWBO-UHFFFAOYSA-N 301.350 1.538 0 40 DDAB C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 20565790 FRVKNBYLRPHELK-DGCLKSJQSA-N 311.403 1.513 0 40 DDAB O=C(NCCc1cccs1)NC[C@@H]1CCS(=O)(=O)C1 32803258 HTTKLWNGNJDPTN-JTQLQIEISA-N 302.421 1.025 0 40 DDAB CN1CCC(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 103320702 QEAUFRYCYFGYIW-DLBZAZTESA-N 317.433 1.676 0 40 DDAB CCc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 421203 SFGLGAWOOXRNKV-UHFFFAOYSA-N 303.391 1.934 0 40 DDAB COC[C@H](C)NC(=O)CCCn1cnc2c(C)cccc2c1=O 22624822 QXYMBHXLSOFYDA-ZDUSSCGKSA-N 317.389 1.636 0 40 DDAB Cc1cc(NC[C@H](O)COc2cccc(F)c2)n2ncnc2n1 76778761 IGMGYSGOUSTJNY-LBPRGKRZSA-N 317.324 1.424 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53863732 MJMUNSHZQXCOAQ-AWEZNQCLSA-N 309.391 1.287 0 40 DDAB CN1CC[C@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 104185516 FZSHNUIXYMLTAG-LLVKDONJSA-N 323.828 1.412 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cn1 61717440 MMGTUGYZYDGFKY-SNVBAGLBSA-N 302.309 1.551 0 40 DDAB CC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1 71185634 YVPCIHDKDCVIAW-CQSZACIVSA-N 319.405 1.693 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 78732739 TYRZYKNYZNFDQJ-IHRRRGAJSA-N 307.394 1.700 0 40 DDAB COCCN1CCC(CNC(=O)COc2cccc(C)c2)CC1 23014358 YCSCPDSXHMBDAI-UHFFFAOYSA-N 320.433 1.848 0 40 DDAB Cc1cc(NC(=O)C2CCOCC2)ccc1NS(C)(=O)=O 23041724 WRCJSUJVFOQDIY-UHFFFAOYSA-N 312.391 1.732 0 40 DDAB O=c1c2cccnc2ncn1C[C@@H](O)COCc1ccccc1 23400356 KUMXUUVQULLKMV-CQSZACIVSA-N 311.341 1.369 0 40 DDAB Cc1cc(C)c(NC(=O)CN(C)[C@H]2CC(=O)N(C)C2=O)c(C)c1 10169056 FOTNQQDHQUKYBQ-ZDUSSCGKSA-N 317.389 1.239 0 40 DDAB O=C(NCCN1CCCCCC1=O)c1n[nH]c2ccccc12 43109598 HOJZXUMORPSEDH-UHFFFAOYSA-N 300.362 1.695 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 100634762 UFTQIECOROIOFO-RSUWNVLCSA-N 303.314 1.125 0 40 DDAB NC(=O)c1nn(C[C@H](O)c2ccccc2)c(=O)c2ccccc12 24968525 MKLQMYRVEXRGBC-AWEZNQCLSA-N 309.325 1.229 0 40 DDAB CC[C@@H]1CN(Cc2cn3c(C)cccc3n2)CCN1C[C@H](C)O 106841082 NWLNQHWWTSDDLB-DOTOQJQBSA-N 316.449 1.920 0 40 DDAB CC(C)c1cnc(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)o1 106918660 WVSQKSIBEWNEAX-ZBEGNZNMSA-N 320.393 1.608 0 40 DDAB Cn1cc(CN2C[C@H]3[C@@H](CC(=O)NCc4ccco4)[C@H]3C2)cn1 107745948 TUWASXKVIGOPBR-MUJYYYPQSA-N 314.389 1.397 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(C[C@H]2CCOC2)C1 107322754 TZRVIIVYPYUUDY-UKRRQHHQSA-N 319.453 1.235 0 40 DDAB Cc1cccc(OCCNC(=O)N2CCC(CC(N)=O)CC2)c1 43780402 IDBOIMZGFUEVOF-UHFFFAOYSA-N 319.405 1.671 0 40 DDAB CC[C@H](NC(=O)N1CCNC(=O)C1)c1ccc2c(c1)OCCO2 57230525 JWSDDGWASDQAIS-LBPRGKRZSA-N 319.361 1.050 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1 101661993 HACHZDSFCAFBOP-ZDUSSCGKSA-N 312.435 1.824 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)NC[C@@H]3CCCO3)cnc12 27027636 IOPGXLUFPBEDKM-ZDUSSCGKSA-N 315.373 1.390 0 40 DDAB CN(C)C(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 27057805 NXOPAYXVNLDBCQ-RYUDHWBXSA-N 316.357 1.994 0 40 DDAB C[C@@H](CNC(=O)CCNc1ncccn1)N(C)c1ccccc1 48235144 HBZJENLYZHCBTA-AWEZNQCLSA-N 313.405 1.920 0 40 DDAB NC(=O)[C@@H](NC(=O)Cc1noc2ccccc12)c1ccccc1 10268443 ASSBDPJQCHVPDT-INIZCTEOSA-N 309.325 1.713 0 40 DDAB Cn1c(S)nc2cc(C(=O)NCC3CCC3)ccc2c1=O 103154734 LGTPYLSBLDUISU-UHFFFAOYSA-N 303.387 1.752 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1 58291889 JWZDZMDHHPMWFR-ZDUSSCGKSA-N 313.401 1.988 0 40 DDAB COc1ccc(C)cc1[C@H](O)Cn1nnc2ccccc2c1=O 58202718 GUJDSQPUPREJCW-OAHLLOKOSA-N 311.341 1.842 0 40 DDAB O=C(NCCC(=O)N(C[C@H]1CCOC1)C1CC1)c1ccco1 44941042 JQQMKTSUKWCVJT-GFCCVEGCSA-N 306.362 1.427 0 40 DDAB COc1ccc(NC(=O)c2sccc2-n2cnnn2)cn1 44917128 QKMKVMIQPRSCCD-UHFFFAOYSA-N 302.319 1.380 0 40 DDAB OC[C@H]1C[C@H](O)CN1c1ncnc2sc3c(c12)CCCC3 95446162 FWTHTLOUCNKZPA-ZJUUUORDSA-N 305.403 1.502 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)OC 2157780 FQUZRVYVEYLLHM-YGRLFVJLSA-N 322.361 1.802 0 40 DDAB biogenic CCCN1CCC(NC(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 58367331 PYOIESLGAKHITE-INIZCTEOSA-N 309.454 1.672 0 40 DDAB CC(=O)c1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n(C)c1 58353829 JZYXPVARUGKBJM-OAHLLOKOSA-N 319.405 1.165 0 40 DDAB Cc1cccc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 58393216 MMXSFXBEUQKGLS-ZBFHGGJFSA-N 304.390 1.353 0 40 DDAB N[C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 36297196 IGRNYKDDKIAGBC-SECBINFHSA-N 324.324 1.697 0 40 DDAB O=C(NCCc1cccc(F)c1)NCc1nnc2n1CCCC2 45131983 ZGCHEIXESNPMFN-UHFFFAOYSA-N 317.368 1.795 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 28223214 KXFHCDHSSDBDRQ-NSHDSACASA-N 304.318 1.327 0 40 DDAB O=C(Cc1cccs1)N1CCN(CC(=O)N2CCCC2)CC1 36383683 WROKGGZGNOFTSQ-UHFFFAOYSA-N 321.446 1.057 0 40 DDAB COC(=O)CCN1CCN(Cc2ccc3c(c2)CCO3)CC1 48366519 CWZJWJDFVRTPKG-UHFFFAOYSA-N 304.390 1.302 0 40 DDAB CCOC(=O)[C@H]1CCCN(Cn2ncc3ccccc3c2=O)C1 9114131 MHIHVXAJNPHWAL-AWEZNQCLSA-N 315.373 1.629 0 40 DDAB C[C@H](CCSc1ccccc1)N1CCN(CC(N)=O)CC1 95428284 RUJNUSARGJHHFU-CQSZACIVSA-N 307.463 1.660 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(C)n1)CC2 95400665 SJTJXEZHNZWJAJ-CABCVRRESA-N 304.390 1.782 0 40 DDAB CCC(CC)CS(=O)(=O)N[C@@H]1CCc2nnc(C)n2C1 96000635 KWXPEALRUUMKDK-GFCCVEGCSA-N 300.428 1.257 0 40 DDAB C[C@H](Oc1cccc(Br)c1)C(=O)NCC(=O)O 64873052 GOTAIKBVHSYLPF-ZETCQYMHSA-N 302.124 1.417 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(NC(=O)OC)c1 95451783 WMMMZEOJMBJTPJ-OLZOCXBDSA-N 319.361 1.509 0 40 DDAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NC4CC4)c3)c2)n1 65250908 GDWYURFQAJEUBC-UHFFFAOYSA-N 324.344 1.772 0 40 DDAB CS(=O)(=O)Nc1ccccc1N1C(=O)c2ccccc2C1=O 5260084 HJVWGYOPHBLHKQ-UHFFFAOYSA-N 316.338 1.859 0 40 DDAB C[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc2c(c1)CCC2 65410790 RSTHIOUOSDPTQV-LBPRGKRZSA-N 305.403 1.739 0 40 DDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCCC1 9342492 ZVRBTBHOKKJCHF-UHFFFAOYSA-N 300.355 1.117 0 40 DDAB O=C(CCCNc1ncccn1)N1CCC[C@@H](n2cccn2)C1 65608086 DCWKKBAMOMFWMQ-CQSZACIVSA-N 314.393 1.729 0 40 DDAB CC(=O)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5516066 ALNQFMJKIUYVPS-RYUDHWBXSA-N 310.400 1.543 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCCC2)cc1OC 5676068 JXVGIYDWVWGGMM-SOFGYWHQSA-N 319.357 1.883 0 40 DDAB O=C(COC(=O)c1ccccc1NCCO)Nc1ccccc1 6822277 OVTABZAATXMCRD-UHFFFAOYSA-N 314.341 1.886 0 40 DDAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)n[nH]c1=O 5925145 HKQNSTWDCUORIJ-UHFFFAOYSA-N 310.354 1.851 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC[C@@H]1c1cccc(F)c1 96459687 MAONEDWPAABVFD-GFCCVEGCSA-N 300.355 1.038 0 40 DDAB CNC(=O)c1cccc(NC(=O)COC(=O)c2ccsc2)c1 7547016 ASEIQNVWWDOQJA-UHFFFAOYSA-N 318.354 1.903 0 40 DDAB Cn1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cn1 71870729 NFXJYROSEKUYHB-CQSZACIVSA-N 316.409 1.435 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)Cn1cccn1 71878775 RZSHARZMVPDYGA-LSDHHAIUSA-N 303.410 1.431 0 40 DDAB CCC[C@H](C)CS(=O)(=O)NCc1cccnc1-n1cncn1 71904689 LKHGZXCLZIAUJA-LBPRGKRZSA-N 323.422 1.518 0 40 DDAB C[C@H](OC(=O)CNC(=O)COc1ccccc1)c1cccnc1 71904814 ILBINLBDIQTPHG-ZDUSSCGKSA-N 314.341 1.881 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O 8074691 JTYATNIOPWAGGQ-UHFFFAOYSA-N 321.299 1.166 0 40 DDAB COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 8017322 DWTNZADJPYXVCO-UHFFFAOYSA-N 306.343 1.746 0 40 DDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCCCC1 8181038 CYUIPDKRLCMUHL-UHFFFAOYSA-N 321.402 1.128 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCOc2cccc(F)c2)CC1 70011510 SKXWTZGCOXAPJU-HNNXBMFYSA-N 324.396 1.510 0 40 DDAB c1cnn(C[C@H]2CN(Cc3cn4ccsc4n3)CCO2)c1 69387060 WXVLJPBANKYPFG-CYBMUJFWSA-N 303.391 1.493 0 40 DDAB CC(=O)NCCNC(=O)CN1CCC[C@H]1c1ccc(C)cc1 69350203 BKMWJLKCRJKFRO-INIZCTEOSA-N 303.406 1.384 0 40 DDAB CCCCC(=O)N(CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O 8388696 HMNCHHCIFOGTPN-UHFFFAOYSA-N 324.425 1.852 0 40 DDAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cn(-c2ccc(F)cc2)nn1 69513733 ZMOPEEZTQPBHKH-GFCCVEGCSA-N 315.352 1.373 0 40 DDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CCn2cccn2)C1 89702323 OWCFWENRMFDEID-OAHLLOKOSA-N 317.393 1.303 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1Br 69895593 UBBZWLNJXCVXES-LURJTMIESA-N 318.171 1.587 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)CCNc2ncccn2)C1 69876040 SLZAKVRAKROUAN-AWEZNQCLSA-N 314.393 1.647 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2cccc3ccccc23)C1 96969202 XZMIBSNGMLBHBZ-CQSZACIVSA-N 311.385 1.976 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C)s1 98010371 NPRZOLUXYJRDAG-ZDUSSCGKSA-N 318.402 1.634 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@@H](n3ccnc3C)C2)c1 69969753 AKYJNOLNRUKOBF-OAHLLOKOSA-N 301.394 1.950 0 40 DDAB COCCN1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1 69951408 TUOUDTGHLBCENC-UHFFFAOYSA-N 321.450 1.308 0 40 DDAB O=C(Cn1cc(Cl)ccc1=O)c1c(O)oc2cccc[n+]12 18265486 BGUXJDGTXFUEIL-UHFFFAOYSA-O 305.697 1.422 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC1CCC(C)CC1 8746210 ZDYRLOQRGRYTOK-UHFFFAOYSA-N 316.409 1.561 0 40 DDAB CC(C)OCCS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 97015729 TVFWKYKEFFEXNC-AWEZNQCLSA-N 314.407 1.290 0 40 DDAB Cc1nnc(CN(C)[C@H]2CCN(CC3CCOCC3)C2)n1C 89735977 PQRQUMJPOGLFBX-HNNXBMFYSA-N 307.442 1.056 0 40 DDAB Cc1cc(C)n(CC2CCN(C[C@H](O)Cn3cccn3)CC2)n1 72267545 WNTSXJOKTFEEOI-KRWDZBQOSA-N 317.437 1.470 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2nnc[nH]2)[C@@H]1c1cccc(Cl)c1 72286325 WKCIPSAIWZQHLT-PWSUYJOCSA-N 319.752 1.616 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c1 84265091 FPBXOTNACUVODV-LBPRGKRZSA-N 301.350 1.816 0 40 DDAB COC(=O)c1ncn(C[C@H](C)C(=O)c2ccc(F)c(F)c2)n1 97142126 BDPWIYPTQPIGTE-QMMMGPOBSA-N 309.272 1.862 0 40 DDAB CCN1CCC[C@@H]1CNC(=S)N1CCO[C@H]2CCCC[C@@H]21 95949828 CWQPSYZFRKQXLN-ILXRZTDVSA-N 311.495 1.989 0 40 DDAB CC(=O)c1cc(C(=O)N2CCc3ccccc3[C@H]2CO)n(C)c1 89291878 YUKUFXSCOVPOFR-QGZVFWFLSA-N 312.369 1.960 0 40 DDAB CCOc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)cn1 89269758 HBVGHHMMPDZEKO-OAHLLOKOSA-N 300.358 1.814 0 40 DDAB COCCOC1CN(C(=O)COc2ccc(Cl)c(C)c2)C1 75092721 BCPSGQJXSFIJOT-UHFFFAOYSA-N 313.781 1.901 0 40 DDAB CC[C@@H](C(=O)NCCCOCc1ccco1)N1CCCC1=O 75146581 CTCHMYKJAJCSHP-AWEZNQCLSA-N 308.378 1.704 0 40 DDAB CCCc1nc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)OC)cs1 65424146 OIXUNCDNLMTLBP-GXSJLCMTSA-N 312.391 1.234 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 175748142 GFBRJSOQCKLTMO-JTQLQIEISA-N 318.826 1.799 0 40 DDAB O=C(Nc1cc2ccccn2n1)N1CCO[C@@]2(CCCOC2)C1 558477460 SQXXTQJOLAWMIM-INIZCTEOSA-N 316.361 1.748 0 40 DDAB CN1Cc2cncn2[C@]2(CCCN(Cc3nccs3)C2)C1 306136886 QFQDLBIBDQDYPC-OAHLLOKOSA-N 303.435 1.776 0 40 DDAB CCOC(=O)Cn1c(-c2nonc2N)nc2cc(C)ccc21 408730057 DXCNNEPEIWWVHW-UHFFFAOYSA-N 301.306 1.540 0 40 DDAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C)n1cnnn1)CC2 524733686 FWOLCKOPHZLEEJ-JOYOIKCWSA-N 317.349 1.055 0 40 DDAB CCN1CN(C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1=O 189911378 XHRLUKVNBFDZRV-AWEZNQCLSA-N 308.426 1.082 0 40 DDAB CCOc1ncccc1NS(=O)(=O)c1cccc(C(=O)O)c1 42793813 JHLBZSAZFOINGE-UHFFFAOYSA-N 322.342 1.979 0 40 DDAB COC(=O)c1cc(F)ccc1CN1CCN(C(=O)OC)CC1 78440871 NEGUSBLOQAHJGK-UHFFFAOYSA-N 310.325 1.496 0 40 DDAB CCC(=O)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1 72341958 MHJAHRWOKVQHCZ-ZDUSSCGKSA-N 301.350 1.003 0 40 DDAB FC(F)(F)c1nnc2n1CCN(c1ncnc3c1CCC3)C2 606895472 HSNNCLAUCXKVKG-UHFFFAOYSA-N 310.283 1.596 0 40 DDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccoc3)C2)nn1 225447263 CPHBJLUFMNJIBG-LBPRGKRZSA-N 302.334 1.429 0 40 DDAB CO[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H](C2)N=C(O)N3C(C)C)C1 329187228 QBDAMCKBAVEUGJ-BARDWOONSA-N 323.437 1.799 0 40 DDAB CN(C)C(=O)[C@]1(C)CC(c2cnc(N3CCCCC3)nc2)=NO1 226084726 OSSGORNCXMLJCY-INIZCTEOSA-N 317.393 1.438 0 40 DDAB Cc1cc2n(CCNC(=O)COc3ccc(F)cc3)ccn2n1 225578924 XGRWRGXTRBTRSE-UHFFFAOYSA-N 316.336 1.779 0 40 DDAB Cn1ncc(Cl)c1C(=O)NC[C@](C)(C(=O)O)c1ccccc1 573340297 QRJSWUDAMKGGNT-HNNXBMFYSA-N 321.764 1.846 0 40 DDAB COc1ccc(CNC(=O)NCC2(O)CCCC2)cc1OC 44448554 NKDRKIWZJZPBPJ-UHFFFAOYSA-N 308.378 1.808 0 40 DDAB CNS(=O)(=O)c1cccc(CN[C@H]2CCCSC2)c1 195558477 MJKMSBBWONWBQG-LBPRGKRZSA-N 300.449 1.580 0 40 DDAB CCCOc1ccc(NC(=O)C(=O)NCCCCCO)cc1 192679578 GKJSCOOEGHROPB-UHFFFAOYSA-N 308.378 1.693 0 40 DDAB CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 95507598 PWPQUFXNXWPFMT-CYBMUJFWSA-N 316.409 1.188 0 40 DDAB COc1cncc(N2CCN([C@H](C)c3nnc(C)o3)CC2)n1 96406667 OIIUEZVNUORLLA-SNVBAGLBSA-N 304.354 1.060 0 40 DDAB O=C(NCc1cn2ccsc2n1)N1CCN(C2CC2)CC1 96404183 ULURHOSCCTVSHD-UHFFFAOYSA-N 305.407 1.385 0 40 DDAB COCC(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96158387 FSHQKMJARXTWOW-UHFFFAOYSA-N 317.433 1.933 0 40 DDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)cn1 96041681 OTDKTOZUBOVVKM-GVDBMIGSSA-N 314.389 1.626 0 40 DDAB COCc1cnc2n1CCN(C(=O)COC1CCCC1)[C@@H]2C 96109608 UJSHPLRAHOKOJG-GFCCVEGCSA-N 307.394 1.892 0 40 DDAB c1cnc(N2CC[C@]3(COCCN(Cc4ccco4)C3)C2)nc1 96202289 PDLCKVPVUQBKHU-QGZVFWFLSA-N 314.389 1.799 0 40 DDAB Cc1ccc(CNCc2cnc(N3CCN(C)CC3)nc2)s1 96474681 YKQIQMBLIUWEAJ-UHFFFAOYSA-N 317.462 1.888 0 40 DDAB O=C(CC1CC1)N1CC[C@H]2[C@@H](CNc3ncccn3)OC[C@H]2C1 96187358 LSBJZMIARMQWQQ-RBSFLKMASA-N 316.405 1.552 0 40 DDAB c1cc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)ccn1 96087219 SHSORRSDLNPYIK-OAHLLOKOSA-N 322.372 1.424 0 40 DDAB C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(N)=O 96414276 XDEOPRCGILUYDN-SECBINFHSA-N 302.296 1.828 0 40 DDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@@H]2CCOC2)cn1 96200707 NDVUXHLCMDHYLD-IKGGRYGDSA-N 305.422 1.621 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 96240633 NDCKRTTYNCMHTE-BBRMVZONSA-N 308.378 1.089 0 40 DDAB O=C([C@@H]1OCCc2ccccc21)N1CCNC[C@@H]1c1ccncc1 333307536 RECLUONEUQIEJE-QZTJIDSGSA-N 323.396 1.869 0 40 DDAB CN(CC(=O)NC[C@@H]1CCCO1)Cc1nc2c(s1)CCCC2 96447116 MKFZKVZATASSBX-LBPRGKRZSA-N 323.462 1.749 0 40 DDAB c1cnc(O[C@H]2CO[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96072576 ZHMRKPPWRDNKIW-ZBFHGGJFSA-N 305.378 1.268 0 40 DDAB CC(C)c1cc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)n[nH]1 96443753 GQMPADASHFXXLI-NSHDSACASA-N 321.450 1.782 0 40 DDAB CN(C)CCO[C@H]1CN(C(=O)c2ccccc2)[C@@H]2CCCO[C@H]12 96187026 MOKQFZQGCAXVHI-IKGGRYGDSA-N 318.417 1.637 0 40 DDAB CS(=O)(=O)N1CCC(c2nccnc2-c2cncs2)CC1 257247222 IYBBJBSRJDKZGJ-UHFFFAOYSA-N 324.431 1.739 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cc(C)c(C)nc3O)CCO2)n1 257257381 KPJQJGPZLIHYLI-ZDUSSCGKSA-N 316.361 1.649 0 40 DDAB Cc1cc(C[C@H]2COCCN(C(=O)c3ocnc3C)C2)ncn1 257278915 OEDVSEUYLPIYOJ-CYBMUJFWSA-N 316.361 1.413 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(N)CN)cc1 252515000 FSMVVSJHQLJGST-BRWVUGGUSA-N 316.426 1.591 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2ccoc2C)O1 252503900 VHANRGXNMZOLCN-VZLIPTOUSA-N 307.346 1.912 0 40 DDAB O[C@@H]1[C@H](O)C[C@H](CNCc2ccccc2)[C@H]1N1CCCCC1 257320751 VYLBCFKHHGXYGZ-BRSBDYLESA-N 304.434 1.372 0 40 DDAB CC(=O)NCc1nccnc1C1CCN(Cc2c[nH]cn2)CC1 257253407 JYVGACIZZYCHMK-UHFFFAOYSA-N 314.393 1.215 0 40 DDAB Cc1cc(C)n(CCCC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)n1 257211151 BXRSYMAKIHKQCI-RDJZCZTQSA-N 321.421 1.423 0 40 DDAB O=C(N[C@@H](CO)C(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 252494289 NRAGGSMVWLGJNK-XHSDSOJGSA-N 316.401 1.426 0 40 DDAB O=C(C[C@H]1CNCCO1)N1CCC[C@H]1CCc1ccccc1 390835095 CJJMUFLDWZXNPN-IRXDYDNUSA-N 302.418 1.989 0 40 DDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NC3CC3)C2)c1 575404720 PJZAYNDVXFWCJN-MRXNPFEDSA-N 324.384 1.667 0 40 DDAB CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccccc3)C2)OC1 585105511 YPGYZYCJLSXRRS-OAHLLOKOSA-N 324.446 1.217 0 40 DDAB Cn1cc([C@@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)cn1 681295942 RQKOASYFGOHQDK-GFCCVEGCSA-N 300.362 1.139 0 40 DDAB Cn1c(CSC2=Nc3ccccc3C2)cc(=O)n(C)c1=O 71911273 UIHOETFLKOWNFR-UHFFFAOYSA-N 301.371 1.604 0 40 DDAB O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1 1776008667 LQJMICPUZMPRJX-UHFFFAOYSA-N 310.419 1.220 0 40 DDAB Cc1csc(CNC(=O)c2ccc(N3CCNC3=O)cc2)n1 54709080 LOSJISOCPSBTIS-UHFFFAOYSA-N 316.386 1.911 0 40 DDAB CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(Cl)cc2)nn1 56970211 MMNHZTMYBBGGLS-UHFFFAOYSA-N 307.741 1.272 0 40 DDAB CCc1nn(CC(=O)NC2CC2)c(=O)c2cc3oc(C)cc3n12 12115541 TZRINUCHSOCTPT-UHFFFAOYSA-N 314.345 1.392 0 40 DDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(C)c1 15299110 WQNAGXPUOZOOGK-HNNXBMFYSA-N 324.446 1.120 0 40 DDAB CC(C)CC(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 19446740 ZUFCJCOGCULLRF-ZDUSSCGKSA-N 315.421 1.671 0 40 DDAB Cc1nnsc1C(=O)N1CC(C(=O)N2CCCCCC2)C1 19747421 IGLRTUBEILHOGN-UHFFFAOYSA-N 308.407 1.321 0 40 DDAB O=c1/c(=C\c2ccc(C(F)(F)F)cc2)sc2n1CCCN=2 6321841 ZKGJXSFWKVPQAI-DHZHZOJOSA-N 312.316 1.781 0 40 DDAB CCCCN(CC)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 5272381 HQSDYZNEMSHMID-UHFFFAOYSA-N 324.402 1.480 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 29192315 JMRKVEWNUZBPNE-LBPRGKRZSA-N 321.402 1.322 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cnoc3C)C2)c1F 390828153 PDTPTIOBFCBAEP-SNVBAGLBSA-N 320.324 1.768 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CCC[C@@H](C(=O)O)C3)cc12 13260845 NPXLPEIZNNOAQL-SECBINFHSA-N 307.375 1.880 0 40 DDAB CCn1cnc2c(N3CCN(c4ncc(C)cn4)CC3)ncnc21 1888885440 IUYFTLQAWRHJTG-UHFFFAOYSA-N 324.392 1.271 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2ncnc3ccc(F)cc23)CCO1 1889104459 FPGNLXNICYNLLJ-CQSZACIVSA-N 316.336 1.253 0 40 DDAB Cc1csc(=O)n1CC(=O)OCc1nnsc1Cl 20982545 QFJZKGKVPBVIQC-UHFFFAOYSA-N 305.768 1.467 0 40 DDAB COCc1nsc(N2CC[C@H](Oc3ncc(OC)cn3)C2)n1 2087131102 CSUOLIHTLMNJHZ-VIFPVBQESA-N 323.378 1.141 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cncc(C(=O)O)c2)cc1 2458691 ITGKPVKDZDBMKD-UHFFFAOYSA-N 308.315 1.589 0 40 DDAB CCCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1 12122944 KZHFQLLLQWDRKH-UHFFFAOYSA-N 301.350 1.880 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(CCc2ccccc2)C1 2055772169 CWNIANPVZYJGBN-SFHVURJKSA-N 312.417 1.663 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@]12CCN(C(=O)CCc1ccc[nH]1)C2 2055815367 BLOSZDAMQOTPRV-CRAIPNDOSA-N 315.417 1.855 0 40 DDAB CN1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 22999077 UCMJSMQXDDLDTM-UHFFFAOYSA-N 323.824 1.414 0 40 DDAB Cc1csc(CNC(=O)c2cccc(OCC(N)=O)c2)n1 30618484 IGXMQUWLHVWTEO-UHFFFAOYSA-N 305.359 1.246 0 40 DDAB Cc1nc(CC(=O)Nc2ccc(N3CCOCC3)cn2)cs1 30973664 UCTXSRRXEZCEEK-UHFFFAOYSA-N 318.402 1.864 0 40 DDAB O=C(NC1CCN(c2ncccn2)CC1)c1cc(C2CC2)[nH]n1 40529284 JSEDEOTXKGFSQD-UHFFFAOYSA-N 312.377 1.476 0 40 DDAB COCC(=O)N1CCN([C@@H](C)c2nc(-c3ccco3)no2)CC1 40540700 XSTVHGZNHDMFTD-NSHDSACASA-N 320.349 1.181 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 40527175 WTRVTQBQGZYHPU-CQSZACIVSA-N 324.446 1.931 0 40 DDAB C[C@H](NC(N)=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 40529400 MHUYAVWNURDKNL-LURJTMIESA-N 306.244 1.018 0 40 DDAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)c1 51357067 WXFDUKRJGRRFGJ-UHFFFAOYSA-N 317.301 1.300 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1-n1cnnn1 20744968 CMPOQKQWGAHLHA-JTQLQIEISA-N 307.741 1.225 0 40 DDAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CSCN1 40856720 CJVAMGFECSBCOT-LLVKDONJSA-N 320.336 1.906 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 21266117 UNVZQBYROHNDKN-VXGBXAGGSA-N 305.378 1.693 0 40 DDAB CC(=O)N[C@@H](C(=O)N(C)CCOc1ccc(F)cc1)C(C)C 32788807 SUVMFKRLUTZTAI-OAHLLOKOSA-N 310.369 1.824 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1CC(F)(F)F 41128960 IMHIMIIHNQUYPK-SNVBAGLBSA-N 317.311 1.615 0 40 DDAB Cn1c(S[C@H]2CCCCNC2=O)nc2ccsc2c1=O 32871747 FJPDQPXNISMFPV-VIFPVBQESA-N 309.416 1.756 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2COCCO2)cc1OC 32936615 RCSQNDREUXCPJN-CJNGLKHVSA-N 321.373 1.783 0 40 DDAB CCc1n[nH]/c(=N/C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)s1 102817112 JEEGAQKESUZPEU-OAAXVMEWSA-N 307.419 1.792 0 40 DDAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C(C)C)nc21 8938403 ZSKISIZGBLPYRV-UHFFFAOYSA-N 305.334 1.562 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)c1nc(-c2ccncc2)no1 12321233 JNKVORSLPJLHKE-AWEZNQCLSA-N 324.340 1.465 0 40 DDAB NC(=O)CN(CC(=O)NCCc1cccs1)C1CCCC1 47274245 AQWCOZXTOXPJSG-UHFFFAOYSA-N 309.435 1.137 0 40 DDAB CC(C)c1cc(C(=O)N2CC[C@@H](C(N)=O)C2)nn1C(C)(C)C 53895072 APBNLPDARXBYNK-LLVKDONJSA-N 306.410 1.709 0 40 DDAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(CCO)CC1 78958558 WUNASSXZVJPKNM-ZDUSSCGKSA-N 324.808 1.028 0 40 DDAB CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 54117036 JLLKVSDVAVJNGG-MGPQQGTHSA-N 311.378 1.575 0 40 DDAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 3490876 AUQVMJZUDFIOIK-SNVBAGLBSA-N 322.361 1.964 0 40 DDAB Cc1c(CCC(=O)NCCCO)c(=O)oc2cc(O)ccc12 4085319 VKGXCHBJNBZJHH-UHFFFAOYSA-N 305.330 1.238 0 40 DDAB biogenic CCN(CC)CCNC(=O)c1c[nH]c2ccc(C)cc2c1=O 4861618 HWEKACSUJXLOSH-UHFFFAOYSA-N 301.390 1.908 0 40 DDAB Nc1nc(=O)n([C@@H]2CCCCO2)cc1I 4974695 ZFWNHJCFKGYGTP-ZETCQYMHSA-N 321.118 1.129 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1c(C)nn(C)c1C 24725039 LGPLVXULZVGWTM-NPQIQWPPSA-N 307.394 1.754 0 40 DDAB N[C@@H](Cc1ccccc1I)c1nnn[nH]1 8648918 CSYSFQTWABQXFU-QMMMGPOBSA-N 315.118 1.047 0 40 DDAB COC(=O)C1(NC(=O)c2cc(C(C)=O)cn2C)CCCCC1 55459349 WSXMCGJKSWCFNO-UHFFFAOYSA-N 306.362 1.833 0 40 DDAB Cc1nc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)oc1C 107059407 WQXQUGGQSHGXCV-LRDDRELGSA-N 320.393 1.444 0 40 DDAB CCN(C[C@@H]1CN(C[C@H]2CCOC2)CCO1)c1cccnn1 107354024 IILWUZRZHVVKFD-CABCVRRESA-N 306.410 1.040 0 40 DDAB CC[C@H]1CN(C(=O)Nc2ccccc2S(C)(=O)=O)CCO1 43927932 KHDKNSCMPMOHRP-NSHDSACASA-N 312.391 1.733 0 40 DDAB Cc1c(C(=O)NC(C)(C)C(N)=O)nnn1-c1cccc(Cl)c1 57258443 SVXVDBCMOXODAH-UHFFFAOYSA-N 321.768 1.223 0 40 DDAB CCCC[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100615138 MUPJFAKFYZNFES-BGBUGSAUSA-N 303.358 1.683 0 40 DDAB CCc1c(C(=O)NCCC(=O)N(C)C)cnn1-c1ccccn1 58209338 BIFXPSHXWLVCPL-UHFFFAOYSA-N 315.377 1.038 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)/C=C/c1ccc(C(=O)NC)cc1 58264560 PQKOGJGWUWZWFS-RZIFZGNASA-N 316.401 1.944 0 40 DDAB Cc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1S(C)(=O)=O 44967052 RBSMIWAJSUCQIK-UHFFFAOYSA-N 321.402 1.404 0 40 DDAB CC[C@H]1CN(C(=O)c2c[nH]c(C(C)C)n2)C[C@@H]1N1CCOCC1 84735995 NLXWIKVYGPAFGK-ZFWWWQNUSA-N 320.437 1.716 0 40 DDAB Cc1cc(NC(=O)NCC(=O)NCCc2ccccc2)no1 58333091 WZLRHHJQEVDZAL-UHFFFAOYSA-N 302.334 1.463 0 40 DDAB Cc1ccc(CNC(=O)NCc2nnc3n2CCC3)cc1F 23174696 XDCCAWRANJGONT-UHFFFAOYSA-N 303.341 1.671 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)[C@@H]1CO 89929853 JDMFVJDXOOBEKU-JOYOIKCWSA-N 305.346 1.746 0 40 DDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1csc(C)n1 69416565 FFOVHXRCFBJWET-AWEZNQCLSA-N 324.494 1.940 0 40 DDAB Cc1sc2ncnc(OCC(=O)NC(=O)NC(C)C)c2c1C 3366381 JPUKFEXQTFHKMN-UHFFFAOYSA-N 322.390 1.921 0 40 DDAB CCOc1cc(CNCCNC[C@H](C)O)cc(Cl)c1OC 22076068 IPFIZIGQZXDRFK-NSHDSACASA-N 316.829 1.807 0 40 DDAB O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccoc2)C1 28996324 ZISFMZTVKHFRIP-SECBINFHSA-N 304.268 1.810 0 40 DDAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)S(C)(=O)=O 46197169 FTCAUFPYTBZHKA-LLVKDONJSA-N 324.402 1.844 0 40 DDAB C[C@@H]1COCCN1C(=O)CCn1cnc2sccc2c1=O 46255403 SMJHECZBFFAVET-SNVBAGLBSA-N 307.375 1.095 0 40 DDAB Cc1cccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1C 2620901 DIQGWHKXPZEPHJ-UHFFFAOYSA-N 323.352 1.945 0 40 DDAB COCCn1c(SCC(=O)OC)nc2ccccc2c1=O 3493567 HVZVLHQAJOKDDI-UHFFFAOYSA-N 308.359 1.308 0 40 DDAB CCn1cc(Br)cc1C(=O)NC[C@@H](C)N(C)C 38089366 CTWLLQFKQBQXBZ-SECBINFHSA-N 302.216 1.950 0 40 DDAB CN1CCN(CCCCNC(=O)NCC2(C)CCCC2)CC1 66596700 MGYDZTJVSUFKLD-UHFFFAOYSA-N 310.486 1.894 0 40 DDAB O=C1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccccc2N1 12939167 GQMWCBISJLUCHS-HNNXBMFYSA-N 322.320 1.753 0 40 DDAB Cn1ccs/c1=N\C(=O)CNC(=O)OCc1ccccc1 63466092 NIQMMUJYVYQWHR-SSZFMOIBSA-N 305.359 1.440 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CCO1 13455931 CZXSQCGMVWJMNQ-MRVPVSSYSA-N 319.766 1.448 0 40 DDAB CCN1C[C@H](COC(=O)c2ccc(N(C)C)cc2F)CC1=O 95434698 RQXHLBUEUXQXPQ-LLVKDONJSA-N 308.353 1.917 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)NC[C@@]1(C)CCCO1 95437697 CQQHOKGPJSWMNO-MRXNPFEDSA-N 308.426 1.913 0 40 DDAB O=C(NCc1cccnc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 6803973 GFYANOOSUCYXKE-INIZCTEOSA-N 322.368 1.933 0 40 DDAB Cc1ccc(CN(C)C(=O)CSc2nc(N)nc(N)n2)cc1 4922277 UWVQOBUWDGAEBB-UHFFFAOYSA-N 318.406 1.095 0 40 DDAB CC(=O)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 5989719 ALNQFMJKIUYVPS-NWDGAFQWSA-N 310.400 1.543 0 40 DDAB NC[C@@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67713974 MSJIFVDIPKOUIR-GFCCVEGCSA-N 323.299 1.088 0 40 DDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)C1CC1 7398145 YHQKKAVHBGZRMZ-UHFFFAOYSA-N 318.373 1.654 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)no1 67940995 RTJABLRSDJHKPP-SNVBAGLBSA-N 302.334 1.340 0 40 DDAB CCc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(CC)C1=O 7653632 JRWDEAWUTWPYPI-INIZCTEOSA-N 303.362 1.908 0 40 DDAB Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 7666862 TWRQUQIQHYLMSG-UHFFFAOYSA-N 317.370 1.431 0 40 DDAB CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)O1 71775430 CKECEWYVEGPMPE-DDHJBXDOSA-N 302.367 1.810 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 68757651 WLJYTOIYLPAORG-RISCZKNCSA-N 306.362 1.569 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 96430440 GTDMBLQDFUQVGF-CYBMUJFWSA-N 310.444 1.769 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)Nc3cc[nH]n3)CC2=O)cc1 69462919 IYSRQMLBUGZPRE-LBPRGKRZSA-N 314.345 1.406 0 40 DDAB O=C(NCC(=O)N1CCCCC1)NCc1cc(F)ccc1F 69587325 DJONLOGFGPOABR-UHFFFAOYSA-N 311.332 1.777 0 40 DDAB Cc1nc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1-c1ccc(F)cc1 17327740 JCUZLNQPONNFEI-GHMZBOCLSA-N 318.352 1.964 0 40 DDAB CCOCCCNC(=O)CNC(=O)c1ccccc1OCC 17401614 RSNHZTBJCCNYQX-UHFFFAOYSA-N 308.378 1.358 0 40 DDAB C[C@H](O)CN(CC(=O)N(C)c1nccs1)c1ccccc1 71897019 XQCYFCDUFXQZTN-LBPRGKRZSA-N 305.403 1.993 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1C1CCCCC1 71821330 MRYNZYVZBFBSGG-CYBMUJFWSA-N 305.378 1.108 0 40 DDAB CCCCc1nc(CN2CCn3c(nnc3C3CC3)C2)no1 71880267 JIYLHCYQBNMGQM-UHFFFAOYSA-N 302.382 1.897 0 40 DDAB Cc1nnc2n1CCN([C@H](C)C(=O)NCCc1cccs1)C2 71877622 GCBZDQUPIUJCPX-LLVKDONJSA-N 319.434 1.211 0 40 DDAB CN(C)S(=O)(=O)NCCc1csc(-c2ccccn2)n1 19942351 CAFLVFSJOJAEGF-UHFFFAOYSA-N 312.420 1.144 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cn1 72067035 XZGUFRORFPJVAZ-LBPRGKRZSA-N 307.419 1.820 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](n3cncn3)C2)n1 72234807 LJDGPZNSOBDPLT-AWEZNQCLSA-N 302.382 1.345 0 40 DDAB C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1)C(=O)NC(C)(C)C 72289312 PYZDCCIKEZKWEK-UONOGXRCSA-N 319.449 1.926 0 40 DDAB C1C[C@H](c2noc(C3CC3)n2)CN(Cc2nnnn2C2CC2)C1 72299995 HQWPQRIABSWAFF-NSHDSACASA-N 315.381 1.648 0 40 DDAB O=C(CN1CCc2sccc2C1)N[C@H]1CCc2nccn2C1 72278684 OBIRPVFZWSQBKX-ZDUSSCGKSA-N 316.430 1.434 0 40 DDAB COCCO[C@H](C)C(=O)N1CCCN(c2ccccn2)CC1 95940497 APXWWWWUCUPNSF-CQSZACIVSA-N 307.394 1.172 0 40 DDAB O=C([C@H]1CCCCN1c1ncc(Cl)cn1)N1CCOCC1 88726941 CINLPRYMHFPBCI-GFCCVEGCSA-N 310.785 1.348 0 40 DDAB NC(=O)c1ccccc1OS(=O)(=O)Cc1ccccc1F 60370253 ABOSCPPEADTNMK-UHFFFAOYSA-N 309.318 1.833 0 40 DDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1C[C@H]1C 78925571 RQMZAQMRESYCSW-DGCLKSJQSA-N 306.362 1.982 0 40 DDAB Cc1nc2nc(CC(=O)O)nn2c(O)c1Oc1ccccc1 20494784 FCRFPGPGQQSBMG-UHFFFAOYSA-N 300.274 1.558 0 40 DDAB CN1CCN(c2ncnc3c2cnn3C)[C@@H](Cc2ccccc2)C1 521396648 YCHXDYSGXOGSEE-HNNXBMFYSA-N 322.416 1.726 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306124763 BYROREGNHSMTFX-LBPRGKRZSA-N 314.345 1.115 0 40 DDAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc2n[nH]cc2c1 541590050 WNXPNODZGDLOPH-CYBMUJFWSA-N 317.345 1.659 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)cc1F 77940103 BMUQFWJAGRSZAM-NOZJJQNGSA-N 312.316 1.571 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C 72364450 MAFCOSPTGBZUJY-LLVKDONJSA-N 310.379 1.849 0 40 DDAB CCCNC(=O)c1nc(Cn2nc(C(F)(F)F)cc2C)no1 36615039 VGIMJYRIGMGJBM-UHFFFAOYSA-N 317.271 1.781 0 40 DDAB Cc1nc(NCCNC(=O)c2ccco2)cc(N2CCCC2)n1 36708056 RKZFSRUJAZEEMW-UHFFFAOYSA-N 315.377 1.820 0 40 DDAB O=S(=O)(NC1CCNCC1)c1ccccc1Br 34957449 CUAQBLUDHFDUGZ-UHFFFAOYSA-N 319.224 1.479 0 40 DDAB O=[N+]([O-])Nc1nc(O)c2c(n1)CCN(Cc1ccccc1)C2 73696418 ONSYUTUCSWEUSJ-UHFFFAOYSA-N 301.306 1.344 0 40 DDAB CCCn1c(Cc2cccc(OC)c2)c2n(c1=O)CCNC2 72233681 FAPGOUMYELASIJ-UHFFFAOYSA-N 301.390 1.762 0 40 DDAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218039271 CDUKAWAUSBSEPE-HRCADAONSA-N 303.383 1.316 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 47080920 RNAYXBPUHFPVPV-MRVPVSSYSA-N 320.798 1.152 0 40 DDAB C[C@H]1CCN(CC2=Cc3ccccc3OC2)CCS1(=O)=O 192049179 IVFVUSRQELSWAD-ZDUSSCGKSA-N 307.415 1.971 0 40 DDAB Cc1nc(CN2C(=O)c3cc(F)ccc3S2(=O)=O)oc1C 225692382 LJSNEFKIUGXLAZ-UHFFFAOYSA-N 310.306 1.775 0 40 DDAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(C)CC1 225439086 GVRMNESSQPHQNU-LBPRGKRZSA-N 315.373 1.783 0 40 DDAB biogenic,in-vitro O=C(Cc1nc2ncccn2n1)N(Cc1ccccc1)C1CC1 45768980 IYFVBGWQLCPWOE-UHFFFAOYSA-N 307.357 1.858 0 40 DDAB CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCCN21 85398542 ASTMRLPYJIVQKR-FRRDWIJNSA-N 323.389 1.315 0 40 DDAB COc1cccc(C(=O)NCc2ccnc(N(C)C)n2)c1OC 224235243 NLWBLQXESUWMBL-UHFFFAOYSA-N 316.361 1.490 0 40 DDAB COCCNCC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 195543616 LOSDFJPTRQPZKR-CYBMUJFWSA-N 302.378 1.667 0 40 DDAB O=C1CCCN1[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCCO[C@H]12 96185793 MSKGSRPBDDSWOX-NFAWXSAZSA-N 320.414 1.743 0 40 DDAB CCS(=O)(=O)C[C@@]1(c2cccc(Cl)c2)OC[C@H](CO)O1 96531785 MJXOJPHTXAILHP-QWHCGFSZSA-N 320.794 1.335 0 40 DDAB CCCCc1noc(CN2CCc3ncnc(N(C)C)c3C2)n1 97202178 ZOFHSZLGBQZXMD-UHFFFAOYSA-N 316.409 1.827 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Cn2cncn2)C1 96409334 RXWZQZDHXASRQY-AWEZNQCLSA-N 317.368 1.511 0 40 DDAB CN(C)CCNC(=O)NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 97236907 OTZHMESVPVQXBA-ZBFHGGJFSA-N 318.421 1.067 0 40 DDAB O=C1CO[C@@]2(COCCN(CC3CC3)C2)CN1c1ccoc1 96051410 GVNGNQGJRVPDNI-MRXNPFEDSA-N 306.362 1.124 0 40 DDAB Cc1cccc(C)c1OCCCNC(=O)NCC[S@](C)=O 96408776 GWLZNANIGUDJRY-OAQYLSRUSA-N 312.435 1.750 0 40 DDAB Cc1oncc1C(=O)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96100133 FOXOJXSUTIQRSU-NILFDRSVSA-N 314.345 1.765 0 40 DDAB COC[C@H]1CN(C(=O)c2ccc(C)cn2)Cc2cncn2C1 96207116 BCPPMZVYXDZFJT-ZDUSSCGKSA-N 300.362 1.505 0 40 DDAB Cn1ncc2c1CN(C1CCOCC1)C[C@@H]2COCC1CC1 96044659 DLKIRNFAZFMBMA-CQSZACIVSA-N 305.422 1.925 0 40 DDAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 96228779 CTSDCDWJFVODGZ-KRWDZBQOSA-N 322.405 1.481 0 40 DDAB CN(C)C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237874 QYAFMHYSZTUARX-KRWDZBQOSA-N 316.405 1.091 0 40 DDAB CC(C)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2N1 96449139 TYZNBDKLFOZHKT-JSGCOSHPSA-N 322.430 1.904 0 40 DDAB CS(=O)(=O)[C@H](CO)[C@@H](O)c1ccc(-c2ccccc2)cc1 96521779 NFUJXXDVYZRMRL-CVEARBPZSA-N 306.383 1.793 0 40 DDAB CC(C)NC(=O)[C@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 248008741 CXDUXGWYMDDSBG-ZDUSSCGKSA-N 302.378 1.637 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)/C=C/c1cncc(F)c1 245344072 XGQADUWUASZXMR-LUGFLBAKSA-N 318.348 1.938 0 40 DDAB CC(=O)N1CCC(c2cc(N3C[C@H](C)OC3=O)nc(C)n2)CC1 257201808 AJDARGFCTNSGTL-JTQLQIEISA-N 318.377 1.856 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cccnn2)C1 257312171 UMTMGAOKCSOZHW-GFCCVEGCSA-N 312.377 1.403 0 40 DDAB Cc1ncc(C(=O)N2CC(Cc3nccc4cc[nH]c34)C2)cn1 257260961 LFFCIMNWFAGDFC-UHFFFAOYSA-N 307.357 1.976 0 40 DDAB CCN(CCNC(=O)c1[nH]c(C)c(C(=O)OC)c1C)C1CC1 69656416 DFIJDGNBVQVMQR-UHFFFAOYSA-N 307.394 1.632 0 40 DDAB CCc1noc(CCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 257243856 IIWMUJXSYQXEFY-LLVKDONJSA-N 303.366 1.694 0 40 DDAB COc1ccc([C@@H]2CN(C(=O)c3nccn3C)CCN2C)cc1 257276835 NVIYSSAHKHISOO-HNNXBMFYSA-N 314.389 1.558 0 40 DDAB Cc1cc(C)nc(N2CCO[C@H](CCc3cc(O)ncn3)C2)n1 257326489 WXJPIFYKNWTWJP-CQSZACIVSA-N 315.377 1.427 0 40 DDAB CNc1nccnc1[C@H]1CN(CC2(O)CCCCC2)CCO1 257274122 NJQSUGWQEGKLNR-CYBMUJFWSA-N 306.410 1.587 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257256187 KKKCNCFHBSKAAO-CQSZACIVSA-N 315.377 1.095 0 40 DDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cnco1 257311517 UJWKOPVSQVMEPX-MRXNPFEDSA-N 316.361 1.173 0 40 DDAB CN(C)C(=O)CCn1cc(-c2cnn(-c3ccccn3)c2)cn1 530249663 CQVCYNQPPHBFRO-UHFFFAOYSA-N 310.361 1.609 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)N[C@@H]1CCCS(=O)(=O)C1 69743264 DTTGFWIOWQPXKW-VQCYPWCPSA-N 315.341 1.671 0 40 DDAB CN(CCCNC(=O)NCc1ccccn1)CC(F)(F)F 71798615 PEYSJPSTJHLFPX-UHFFFAOYSA-N 304.316 1.765 0 40 DDAB CCc1nc(CN2CCCN(CC3(O)CCCCC3)CC2)no1 72253929 JSUHNEVFZHFVEL-UHFFFAOYSA-N 322.453 1.835 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)[C@@H]2CC=CCC2)cc1 58018281 WGANHPBHBAPGDY-CQSZACIVSA-N 302.374 1.784 0 40 DDAB CCn1cc(CNC[C@@H]2CCO[C@H]2c2cnn(CC)c2)cn1 83843577 SFTPADMLYPDJIL-GOEBONIOSA-N 303.410 1.987 0 40 DDAB CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(F)c(C)cc1F 95942041 ZCRLCTWCLTTWFC-AWEZNQCLSA-N 301.289 1.317 0 40 DDAB CC[C@@H](C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1)N(C)C 97372931 FMCBXPRBNGBFKV-HNNXBMFYSA-N 324.856 1.719 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1N1CCOCC1 107323341 WJPHOTZCYHLDCQ-MGPQQGTHSA-N 300.468 1.555 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(Cc2cn(C)cn2)C1 1615144356 SDAXCJFMVLZBPC-KRWDZBQOSA-N 301.390 1.744 0 40 DDAB C[C@@H]1CCc2nn(CCNC(=O)c3cccs3)c(=O)cc2C1 12232610 WQDIWQUPLWKTSN-LLVKDONJSA-N 317.414 1.860 0 40 DDAB C/C=C/C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 13036684 JSWATMSPCCLFLU-ONEGZZNKSA-N 309.329 1.537 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)c1 13636932 LFLAFJKQWMPHKF-VXGBXAGGSA-N 322.386 1.317 0 40 DDAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NC1CC1 14001246 YDWQDMVNEGUKQR-UHFFFAOYSA-N 314.320 1.686 0 40 DDAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cl)c(=O)c3c2=O)n1 14607086 HDHKARFHUXWMCZ-UHFFFAOYSA-N 305.725 1.376 0 40 DDAB CCC(=O)N1c2ccc([C@H](O)CN3CCOCC3)cc2C[C@@H]1C 19499224 IDBPPVFYGJUNHH-SUMWQHHRSA-N 318.417 1.740 0 40 DDAB COCC(=O)N1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 19702423 MWEOJCXIHGQBFP-VIFPVBQESA-N 319.386 1.358 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@](C)(O)Cc1ccsc1 618256255 FQCJNMFPCLYBHA-OAHLLOKOSA-N 307.419 1.822 0 40 DDAB CCN1C(=O)C(C)(C)COc2cc(NS(C)(=O)=O)ccc21 9166074 YSDRQKGPHPDMLN-UHFFFAOYSA-N 312.391 1.830 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1C 22999083 TTZNGNOQJAEDCZ-UHFFFAOYSA-N 303.406 1.700 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 4888711 CCOMDEPZNATOOV-UHFFFAOYSA-N 310.419 1.539 0 40 DDAB O=C1CN(C2CCN(c3ncncc3F)CC2)C(=O)N1C1CC1 1888843627 ISGWUEJNNHOQAR-UHFFFAOYSA-N 319.340 1.011 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1 1889068350 OVAWIXHPKFEJQH-NSHDSACASA-N 315.295 1.584 0 40 DDAB Cc1cc(N2CC[C@H](C(=O)NC(C)(C)C)C2)n2ncnc2n1 1889084202 AUZGJTDXEJFWHH-NSHDSACASA-N 302.382 1.174 0 40 DDAB COCCNC(=O)NCCc1ccc(-c2cnn(C)c2)cc1 1889148743 SKZQILVZRYBOHE-UHFFFAOYSA-N 302.378 1.575 0 40 DDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 24094974 JNXJDXQAYKEPFX-OAGGEKHMSA-N 317.385 1.739 0 40 DDAB CC(C)[C@@H](CNC(=O)c1cccc(N(C)C)c1)N1CCOCC1 41869461 IDQTXULUQLUEOA-QGZVFWFLSA-N 319.449 1.839 0 40 DDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc2c(c1)OCCO2 4194651 YMUOESQIJNBZSJ-UHFFFAOYSA-N 324.292 1.594 0 40 DDAB CNc1ncnc2ncn(C[C@H](O)COCc3cccs3)c12 96407752 OJXUKCDFZHTOLT-JTQLQIEISA-N 319.390 1.507 0 40 DDAB CC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2cccnc2)CC[C@H]1O 2332241610 NQKSTVCMFOSSLY-NWANDNLSSA-N 315.377 1.104 0 40 DDAB COC(=O)c1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)cc1 30204614 DUEWXULIVCDGGK-UHFFFAOYSA-N 314.341 1.444 0 40 DDAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cn(CC)c(C)n1 50265525 JLYHJOMEYWUUKZ-SECBINFHSA-N 303.384 1.085 0 40 DDAB Cc1ccn2c(=O)c(C(=O)NCCCOC(C)C)cnc2c1 40535441 FEISLRBTCXFNMC-UHFFFAOYSA-N 303.362 1.548 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(Cc3ccccn3)n2)CCO1 40515987 UUVJSGJAJSUKGT-LBPRGKRZSA-N 317.414 1.919 0 40 DDAB Cc1c(C(=O)NCCN(C)C)nnn1-c1cccc(Cl)c1 51317690 BRDZJFJVGHKXBT-UHFFFAOYSA-N 307.785 1.521 0 40 DDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)NC(C)(C)C1=O 268782 JGFFANADSULXBK-LBPRGKRZSA-N 306.362 1.374 0 40 DDAB O=C(Nc1cccnc1)c1cc(-n2cnnn2)ccc1Cl 20725705 RZILTMQVMNWPDD-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@@H]3C[C@H]3C)ccc2c1=O 32393149 QBCOPYIRWUXYMH-PWSUYJOCSA-N 315.373 1.657 0 40 DDAB C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1Cl 32687036 XGOUADFEKXDELP-JTQLQIEISA-N 321.764 1.078 0 40 DDAB CC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 386376 VNQPNLQTGGVMAK-ZCFIWIBFSA-N 311.432 1.805 0 40 DDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(Cl)o1 102141239 UYMZFUSBGDKMEX-MRVPVSSYSA-N 307.755 1.562 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)CN(CC(N)=O)C1CCCC1 52826379 UONYYNJCCRAYLQ-CQSZACIVSA-N 317.433 1.936 0 40 DDAB O=C(N[C@H](Cc1cccc(Br)c1)C(=O)O)C1CC1 41562885 WQKHCYSIJRXKNF-LLVKDONJSA-N 312.163 1.971 0 40 DDAB CN1N=C(c2ccncc2)[C@H](C(=O)c2cc(Cl)cn2C)C1=O 103263918 KIWCINBSHZTYEZ-GFCCVEGCSA-N 316.748 1.749 0 40 DDAB CC(=O)N1CCN(C(=O)CCSc2ccccc2F)CC1 53269605 VVKFDXIADZTBFA-UHFFFAOYSA-N 310.394 1.999 0 40 DDAB CN(C)c1cccc2c(S(=O)(=O)NCCC(=O)O)cccc12 57312 XSQICNCOMHYTCX-UHFFFAOYSA-N 322.386 1.659 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)Nc2ccccc21 37388973 AWGFUNPKNXXEFV-UHFFFAOYSA-N 306.347 1.174 0 40 DDAB CCCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 8922730 YFYMTEDVOBZAFJ-HNNXBMFYSA-N 305.334 1.294 0 40 DDAB Cc1c([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cnn1C 47491227 KEPDQJGTPYPJSL-LLVKDONJSA-N 315.373 1.920 0 40 DDAB CCOc1c(OC)cccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 809706 BFMPYXVDWSVRCE-ZDUSSCGKSA-N 320.345 1.895 0 40 DDAB CSC[C@@H](CCO)Nc1cncc(-n2nc(C)cc2C)n1 77236700 PAZABTMVJBKMTO-GFCCVEGCSA-N 307.423 1.805 0 40 DDAB CCCc1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C(N)=O)cc1 78601485 SMTIETDZZSFHHA-UHFFFAOYSA-N 322.390 1.570 0 40 DDAB COc1ccccc1CNC(=O)Cn1c(=O)oc2cccnc21 78991345 OZRFBRQCSQQGJF-UHFFFAOYSA-N 313.313 1.315 0 40 DDAB NC(=O)C1(CNC(=O)C2(c3ccccc3)CC2)CCOCC1 79680338 ZEISGNCEEHJMBF-UHFFFAOYSA-N 302.374 1.117 0 40 DDAB C[C@@H](Sc1nncn1Cc1ccco1)C(=O)N1CCOCC1 54326822 MUSXQGCUXDZEIK-LLVKDONJSA-N 322.390 1.259 0 40 DDAB CN(C(=O)c1ccc(Cl)cc1)[C@]1(C)CCS(=O)(=O)C1 4263647 NILJOVHOMBZWSJ-CYBMUJFWSA-N 301.795 1.989 0 40 DDAB Cc1ncn(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1C 92857010 GAZUASJGYGJHKF-UHFFFAOYSA-N 321.344 1.296 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1cc(F)cc(F)c1 24705747 CHWKFHARGSPHBM-UHFFFAOYSA-N 301.318 1.519 0 40 DDAB Cc1nnsc1C(=O)OCCCn1c(=O)[nH]c2ccccc21 8275376 CWKYOQSBYAKEMV-UHFFFAOYSA-N 318.358 1.737 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2C)CC1 24924227 KJDBSUKCHOJQMK-UHFFFAOYSA-N 324.446 1.468 0 40 DDAB COC(=O)c1ccc(CCNC(=O)c2ccc[nH]c2=O)cc1 25078888 XTQJKXKJCIQDDQ-UHFFFAOYSA-N 300.314 1.134 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OC 105730222 TZFPDDXRPKOBMQ-ZQIUZPCESA-N 323.364 1.782 0 40 DDAB NC(=O)CN1CCC(NC(=O)[C@H]2CCCc3ccccc32)CC1 25673410 MPGBWBWZTCDADA-INIZCTEOSA-N 315.417 1.172 0 40 DDAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN([C@H]2CCC[C@H]2O)CC1 107321034 PDBHCXKDXSEVFK-LJISPDSOSA-N 304.390 1.441 0 40 DDAB O=C(O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 35126918 VLGDCLOJWVDFGS-UHFFFAOYSA-N 302.296 1.908 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)c1ccnc(-n2cncn2)c1 108344377 VMHCARGBGYLWKH-XSFVSMFZSA-N 308.345 1.461 0 40 DDAB C[C@@H]1COCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 48274671 BKJYLVJTIIMZJH-CYBMUJFWSA-N 315.373 1.412 0 40 DDAB Cc1ccc(NC(=O)C(=O)CC(=O)[C@@H]2CCOC2=O)c(C)c1 102981334 CYSDHONYXUYIBC-NSHDSACASA-N 303.314 1.333 0 40 DDAB CC[C@H](C)NC(=O)CCNC(=O)c1[nH]c(C)c(C(=O)OC)c1C 58195072 MBMQGXKBFGAZRO-VIFPVBQESA-N 323.393 1.453 0 40 DDAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1nncn1C 58297564 MXFOGMHSELQVHH-UHFFFAOYSA-N 312.377 1.939 0 40 DDAB CCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 58215904 JUWOPXIJOOOPHR-LBPRGKRZSA-N 305.378 1.227 0 40 DDAB CCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 22273529 UBMDSWHBLITKAE-UHFFFAOYSA-N 320.798 1.251 0 40 DDAB Cc1ncsc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 44939726 BKEPFALDGCWIHR-CYBMUJFWSA-N 311.451 1.928 0 40 DDAB CC(=O)c1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n(C)c1 58353825 JZYXPVARUGKBJM-HNNXBMFYSA-N 319.405 1.165 0 40 DDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1cccc(O)c1 101513463 PKTJZLBOZCSUFH-UHFFFAOYSA-N 313.317 1.003 0 40 DDAB O=C(NCc1noc(CN2CCCCC2)n1)c1ccccc1 29449865 KWMOTXVQRDHQFF-UHFFFAOYSA-N 300.362 1.986 0 40 DDAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)O)C1=O 37011688 AWRMUZRVVDNNTD-LBPRGKRZSA-N 317.128 1.845 0 40 DDAB in-vitro CCOC(=O)C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 23081905 UYUPKCVCUJZUSP-UHFFFAOYSA-N 304.346 1.201 0 40 DDAB O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 2633012 QRXVDARPOCYEEF-UHFFFAOYSA-N 313.306 1.694 0 40 DDAB CCN(CCCNc1ncnc2sccc12)S(C)(=O)=O 38035984 NNSPMHRGAPDDQR-UHFFFAOYSA-N 314.436 1.775 0 40 DDAB NC(=O)COc1ccccc1C(=O)OC[C@@H]1CC1(Cl)Cl 12998407 WUXLAMCPZPTBKA-QMMMGPOBSA-N 318.156 1.901 0 40 DDAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 12926563 OQQVMOHMCKZECU-NSHDSACASA-N 321.320 1.551 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1ccc(OC(F)F)cc1 12992902 QAVMTBHPTWJPRS-UHFFFAOYSA-N 308.288 1.756 0 40 DDAB O=C(CN1CCn2ccnc2C1)N[C@H]1CCOc2ccccc21 97201403 KTQRBGMPFDPNRL-AWEZNQCLSA-N 312.373 1.339 0 40 DDAB O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 13015852 RSVXTZSALYCZTN-UONOGXRCSA-N 307.415 1.657 0 40 DDAB CNCC1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 63159876 OCAFZWNPYRVHAS-UHFFFAOYSA-N 304.362 1.585 0 40 DDAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1N 3885468 DPFROBVHIHKJSB-UHFFFAOYSA-N 313.423 1.136 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4173893 FQOJPAYLDFVNPE-RFGFWPKPSA-N 303.314 1.596 0 40 DDAB COc1ccc(NC(=O)C(=O)NCc2ccccc2)c(OC)c1 4122239 UFSQOSOVALEQJW-UHFFFAOYSA-N 314.341 1.959 0 40 DDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)O 4241934 FMPVOXUPJFIODB-LLVKDONJSA-N 308.334 1.306 0 40 DDAB Cn1cccc1[C@H]1CCCN1Cc1nc2c(cnn2C)c(=O)[nH]1 65418710 NZOMUAGYJCOPDL-CYBMUJFWSA-N 312.377 1.332 0 40 DDAB COC(=O)c1cc(NS(=O)(=O)c2cnn(C)c2)cc(C)c1C 65592706 FFZPWAMVCJTWGC-UHFFFAOYSA-N 323.374 1.624 0 40 DDAB Cc1nnc([C@H](C)N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)o1 65530165 JXIXNSCTNDQXDV-VIFPVBQESA-N 323.784 1.879 0 40 DDAB O=c1n(Cc2nc(-c3ccccc3)no2)nnn1-c1ccccc1 14138094 HNOKTMSPYHUNSO-UHFFFAOYSA-N 320.312 1.527 0 40 DDAB O=S(=O)(Nc1cnn(CCO)c1)c1ccc2ccccc2c1 67659856 WTZOFDZLRTYQLD-UHFFFAOYSA-N 317.370 1.829 0 40 DDAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)NC1CC1 9591845 UJVREGUBXQJCBY-UHFFFAOYSA-N 305.378 1.234 0 40 DDAB O=C(COC(=O)c1ccc(Cl)cc1F)NC[C@@H]1CCCO1 7531654 UGKYPSVXGRCDSV-JTQLQIEISA-N 315.728 1.931 0 40 DDAB COc1ccc(CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 7718611 XNLOTSFYRMMDDB-UHFFFAOYSA-N 313.313 1.763 0 40 DDAB CSCc1cccc(C(=O)N2CCN(C[C@H](C)O)CC2)c1 71871054 SFACNCPOYSNZLD-ZDUSSCGKSA-N 308.447 1.688 0 40 DDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 69148590 KBVUADMSGNNRMG-DOTOQJQBSA-N 318.417 1.665 0 40 DDAB O=C(NCCc1ccccn1)N[C@H]1CCN(c2ccccc2)C1=O 69377010 IIUACTASBTVCIA-INIZCTEOSA-N 324.384 1.729 0 40 DDAB CCCc1cc(C(=O)N2CCn3c(nnc3C(C)C)C2)[nH]n1 71864892 RWRLHQOJXVVYPZ-UHFFFAOYSA-N 302.382 1.733 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1 69486328 LTVAVUMJPJHWJY-OAHLLOKOSA-N 301.394 1.950 0 40 DDAB OCCN1CCC(CNc2nccc(C(F)(F)F)n2)CC1 69417737 CZTCCJCADJKSCN-UHFFFAOYSA-N 304.316 1.612 0 40 DDAB CCc1nnsc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](CC)C1 83820193 BXWULMKNLNKNMI-DGCLKSJQSA-N 324.450 1.283 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1nc(-c3ccccn3)no1)CC2 69632296 XUCHQKXMWHHYOO-NSHDSACASA-N 311.349 1.136 0 40 DDAB CCCn1ccnc1-c1cn([C@@H](Cc2ccccc2)C(N)=O)nn1 91951092 XQNGYVNIDFOQJI-HNNXBMFYSA-N 324.388 1.821 0 40 DDAB CCCCS[C@H](C)C(=O)N1CCN(C(=O)NCC)CC1 69703397 GGSCGRFJNQKRIO-GFCCVEGCSA-N 301.456 1.782 0 40 DDAB O=C(NCCOc1ccc(F)c(F)c1)NC[C@H]1CCCO1 69773253 MBGMTDSHQKCKDV-LLVKDONJSA-N 300.305 1.822 0 40 DDAB CC(C)(C)c1cc(NC(=O)CN[C@@H]2CCc3ncnn3C2)on1 69740475 GBKSATLAOAAMJC-SNVBAGLBSA-N 318.381 1.107 0 40 DDAB COc1cc(C)cc(C(=O)NCC(C)(C)N2CCOCC2)c1O 69739790 LTOXFEXCIURILS-UHFFFAOYSA-N 322.405 1.550 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1ccc(CO)o1 72298339 BGMAQPUDFIHDNO-GUYCJALGSA-N 319.405 1.990 0 40 DDAB O=C(CCn1ccnn1)N1CCC[C@H]1c1noc(C2CC2)n1 72299502 LYNVQXVJRXVBDG-NSHDSACASA-N 302.338 1.292 0 40 DDAB COC[C@@H](C)C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1 97107817 BREBTCUYEYLVQB-GFCCVEGCSA-N 311.813 1.662 0 40 DDAB O=C(NC[C@H]1Cc2ccccc21)c1cc(N2CCOCC2)ccn1 97104143 KWNIWVLNQAZQNC-OAHLLOKOSA-N 323.396 1.988 0 40 DDAB O=C1[C@@H](SC[C@H](O)CO)CCN1c1ccccc1Cl 95963815 DNVZWLAAVRKIIN-SKDRFNHKSA-N 301.795 1.532 0 40 DDAB CC(C)[C@@H](O)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 95977359 OWDXESXBUSXBOF-HOTGVXAUSA-N 318.417 1.701 0 40 DDAB CN(C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2cccnc2)C1 89314009 QXZWOXDBDRDGKF-ZIAGYGMSSA-N 306.410 1.632 0 40 DDAB Nc1noc(CCNC(=O)[C@@H]2SCCc3sccc32)n1 75093015 LATLPWAWKXYSSB-SNVBAGLBSA-N 310.404 1.403 0 40 DDAB CC[C@H]1CN(Cc2nnsc2Cl)CCN1C[C@@H](C)O 75129432 OXTNGJGAXVHSEI-ZJUUUORDSA-N 304.847 1.469 0 40 DDAB Cc1nc(N2CCC(N)(CO)CC2)c2c3c(sc2n1)CCC3 89708951 XICSRPZMANCOPE-UHFFFAOYSA-N 318.446 1.778 0 40 DDAB CC(C)[C@H](O)CC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 89791254 WRJVODUJQPLDBS-ZIAGYGMSSA-N 324.808 1.969 0 40 DDAB O=S(=O)(NC[C@@H]1COc2ccccc2C1)N1CCCCC1 42676674 DQHORPVMJMWTEE-CYBMUJFWSA-N 310.419 1.558 0 40 DDAB O=C(O)[C@@H](CNS(=O)(=O)C1CC1)Cc1ccccc1Cl 547557522 BHFREOJLQZWSDZ-SNVBAGLBSA-N 317.794 1.665 0 40 DDAB CCc1ccc(Nc2[nH]nnc2C(=O)N2CCN(C)CC2)cc1 67284171 UPRNTUSVTDUNIM-UHFFFAOYSA-N 314.393 1.498 0 40 DDAB COc1ccc(-c2c(C)nn3c2NC(=O)[C@@H](CC(=O)O)C3)cc1 35324942 PLQNBVONWBCYGT-NSHDSACASA-N 315.329 1.910 0 40 DDAB Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)n1 76500828 LCPCYBJCMRFDBW-UONOGXRCSA-N 310.419 1.818 0 40 DDAB Cc1cc(O)cc(=O)n1CCc1nnc(-c2ccccc2O)o1 1547201095 VWSQZLULYCCQHA-UHFFFAOYSA-N 313.313 1.861 0 40 DDAB Cc1ccc([C@@]2(O)CCN(S(=O)(=O)c3cccnc3)C2)cc1 72351114 AUSOFTCLRDEDSL-MRXNPFEDSA-N 318.398 1.672 0 40 DDAB CCCCN(C)c1ccc(C(=O)NCC(C)(CO)CO)cc1 560815023 AYAMZKYDLMNXRQ-UHFFFAOYSA-N 308.422 1.644 0 40 DDAB C[C@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)C(N)=O 26242118 HSTXEDQIAKCGGC-VIFPVBQESA-N 307.737 1.615 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@H]1C[C@@H]2CC[C@H]1C2 37021562 RWQVTRRMQBFQPY-SEBNEYGDSA-N 316.401 1.633 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O 79044812 AMVXLFKYWXMRIH-WFASDCNBSA-N 304.390 1.753 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@H]1CCCN(c2ccccn2)C1 79293236 XHXITOYUIWHVHE-STQMWFEESA-N 305.378 1.366 0 40 DDAB Cc1cc(OC(F)F)c(C(=O)NCCc2nc[nH]n2)s1 81763529 BADRZWCCTNRIBS-UHFFFAOYSA-N 302.306 1.749 0 40 DDAB Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCN(C)CC1 226852404 RUULZKVTZHWGER-UHFFFAOYSA-N 314.389 1.334 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)c2nncn2C(C)C)on1 86309593 MENZBAUQJFREMD-BTKVJGODSA-N 311.367 1.290 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1nc(-c2ccsc2)oc1C 195578122 VYJRQWJURWAQBV-WCQYABFASA-N 322.386 1.820 0 40 DDAB Cc1ccc(-c2noc(CCC(=O)O)n2)c(=O)n1CC(C)C 89263165 ZWVBYXNHTPHGDI-UHFFFAOYSA-N 305.334 1.880 0 40 DDAB COc1ccc(OCc2cn(CC(=O)N3CCCC3)nn2)cc1 227162801 MNOYUJIQVAHSEJ-UHFFFAOYSA-N 316.361 1.488 0 40 DDAB O=C(CN1CCSC1=O)NCCc1ccc2c(c1)OCO2 44872657 YDODBXCMYZUDGC-UHFFFAOYSA-N 308.359 1.243 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCSc2ncn[nH]2)c1 225927050 TYRKAEFAMOTPQI-UHFFFAOYSA-N 312.420 1.492 0 40 DDAB Cc1nnc(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)s1 572087359 VAVMFVCJEXTZEZ-LLVKDONJSA-N 310.423 1.010 0 40 DDAB CCOc1cncc(N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)n1 572190414 GLYUXDZPSABPOZ-STQMWFEESA-N 320.393 1.091 0 40 DDAB CCn1cccc(NC(=O)N2CCOCC(F)(F)C2)c1=O 332356075 WMLUTIREGBLWFQ-UHFFFAOYSA-N 301.293 1.368 0 40 DDAB O=c1ccc2c(n1CC1CC1)CC[C@H](NC1CCOCC1)C2 96189751 FZQDLYJVROKDAI-INIZCTEOSA-N 302.418 1.884 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(Cc1cnn(C)c1)CC2 96047517 BQNJFTIATOAVFR-KRWDZBQOSA-N 320.437 1.414 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCCO1 96064494 NRJWSRQCONBSOZ-JHJVBQTASA-N 323.418 1.001 0 40 DDAB COCCO[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1 96061640 MSEJRPSZQOEEKN-IRXDYDNUSA-N 319.405 1.862 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3ccccn3)[C@@H]2C1 96056694 TXGAZTXUFBEZMZ-NUEKZKHPSA-N 303.406 1.586 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CC(=O)N2c1cnn(C)c1 96205734 ZSOCPTRJCPOECW-GJZGRUSLSA-N 315.377 1.405 0 40 DDAB CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc3c(c2)OCO3)O1 96187254 YWIUPHBSQBTJFS-UMVBOHGHSA-N 318.373 1.283 0 40 DDAB CCN1CC(=O)NC[C@@]12CCN(C(=O)Nc1ccccc1)C2 96238266 HWUMIXAXKPOTMH-MRXNPFEDSA-N 302.378 1.115 0 40 DDAB O=C(NC1CC1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96066965 BUFSIEAVJXEPMW-ZDUSSCGKSA-N 303.410 1.283 0 40 DDAB c1ccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)nc1 96188619 VIZPRZITKYRZRF-AWEZNQCLSA-N 309.377 1.202 0 40 DDAB COCCN1CCC2(CC1)C[C@H](c1cccnc1)C(=O)N2C 96261166 GMWLMCGCIJFIHC-OAHLLOKOSA-N 303.406 1.508 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2 96196848 XVQHJKBXKVJDAB-UHFFFAOYSA-N 304.438 1.908 0 40 DDAB CC(=O)c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1C 95442853 MXYSSMYSAUXILK-UHFFFAOYSA-N 313.357 1.754 0 40 DDAB CC(C)NC(=O)[C@H]1CN(CC2CCOCC2)Cc2ncn(C)c21 248001764 AQZAXQLSPRUPBK-AWEZNQCLSA-N 320.437 1.271 0 40 DDAB O=C(NCC(F)(F)F)[C@@H]1CCCN(C[C@H]2CCCCO2)C1 245305058 HXLZXHICWONKKR-VXGBXAGGSA-N 308.344 1.946 0 40 DDAB Cc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)s1 257288953 PWKHULHNUOIRJU-JHJVBQTASA-N 309.435 1.477 0 40 DDAB O=C(NC[C@H](O)c1ccccn1)c1ccnc(OCC2CC2)c1 253407895 WWOQYAQWWSEKHX-HNNXBMFYSA-N 313.357 1.729 0 40 DDAB CC(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 257333139 YAHMZVADUCZVAQ-IAGOWNOFSA-N 322.380 1.261 0 40 DDAB CC(=O)N1CCC(Cc2cnc(N3C[C@H](C)OC3=O)cn2)CC1 257235313 GXHFJBKWMQZJEQ-NSHDSACASA-N 318.377 1.623 0 40 DDAB CN(C(=O)CCn1ccnc1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257228497 FUCNSHVCSFLAHT-BFYDXBDKSA-N 320.437 1.109 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2[nH]ncc2C)n1 257322331 WFNBLZLIMKENCA-ZDUSSCGKSA-N 315.377 1.337 0 40 DDAB CN(C)Cc1cnc([C@@H]2CN(C(=O)c3ccccc3)CCO2)[nH]1 257236666 HDDKZMKGDPLDQJ-HNNXBMFYSA-N 314.389 1.685 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2cc(Cl)cn2)n1 257301393 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40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc2c(c1)OCCO2 43508698 DOEDIBJJXFAFTQ-AWEZNQCLSA-N 309.343 1.148 0 40 DDAB CS(=O)(=O)N1CCC(COc2cc3c(nn2)CCC3)CC1 1775985978 MLXXZPIIHKFOGZ-UHFFFAOYSA-N 311.407 1.016 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 48082739 WASYFHNLOVLLSC-NSHDSACASA-N 303.366 1.021 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cccn1 40480584 GFCIRCAXWFKQOS-ZDUSSCGKSA-N 301.346 1.572 0 40 DDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(=O)[nH]c1 57064371 GRFAYBHQHHFBSB-LBPRGKRZSA-N 315.348 1.770 0 40 DDAB CC(C)(C)C(=O)Nc1nc(O)c2nc(Br)[nH]c2n1 514251123 AQIZRYCMCCSUBK-UHFFFAOYSA-N 314.143 1.806 0 40 DDAB C[C@H](CNC(=O)NCCCN1CCCC1)CC1(C)OCCO1 89895201 MNIKWJMIHRAMAU-AWEZNQCLSA-N 313.442 1.561 0 40 DDAB C[C@H](NC(=O)NCCC(=O)N1CCCC[C@@H]1C)c1cnn(C)c1 95404556 LEWIAMRVYXIESW-STQMWFEESA-N 321.425 1.571 0 40 DDAB C[C@H](C(=O)N(C)[C@H]1CCC(=O)N(C)C1)n1cnc2ccccc21 557105980 GDXNFLXIGMEJSR-OLZOCXBDSA-N 314.389 1.677 0 40 DDAB CN(CCN1CCCCC1)C(=O)Cc1ccc2c(c1)OCCO2 12360960 QKXKFSFMKLEYTF-UHFFFAOYSA-N 318.417 1.945 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1CSc2nccc(=O)n21 14031163 QEWAYZUXRQKNNR-JTQLQIEISA-N 317.370 1.928 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 14796817 QUGWZKSUVBHZGT-UHFFFAOYSA-N 324.446 1.928 0 40 DDAB COC(=O)/C(C#N)=C1/CCS/C(=C(/C#N)C(=O)OC)S1 2516874 DUDBFQYYUQDHJL-ZUQSVMQASA-N 310.356 1.715 0 40 DDAB Cc1noc(C)c1CC(=O)N1CC[C@H](Oc2cccnn2)C1 225413935 WBFAFLZQXDXOGM-LBPRGKRZSA-N 302.334 1.304 0 40 DDAB Cc1ccc(C(=O)NC(=S)N2CCC(C(N)=O)CC2)cc1 226350263 AMWUJTFKSVFMAS-UHFFFAOYSA-N 305.403 1.207 0 40 DDAB Cc1nnsc1C(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575607216 YLDJDDNEQTVVQI-JTQLQIEISA-N 323.353 1.459 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)nc1 1888897963 KQEWRDWQUHXCQX-LBPRGKRZSA-N 324.392 1.557 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2 22701139 YNVMGPJTDZMVNW-UHFFFAOYSA-N 314.345 1.663 0 40 DDAB CCCCn1ccn(-c2ccc3c(c2)OCCO3)c(=O)c1=O 2087045479 HEUFQMKHRBRELN-UHFFFAOYSA-N 302.330 1.571 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 30018169 SBDWIGFJDOPJHU-RWMBFGLXSA-N 307.394 1.460 0 40 DDAB O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1CCCO1 40089140 VCQUCARGHYCDFA-KRWDZBQOSA-N 302.418 1.989 0 40 DDAB O=C(/C=C/c1cccc2cccnc12)N[C@H]1CCS(=O)(=O)C1 31612874 JLMFWCJUJXZFFD-UZYOAWRESA-N 316.382 1.551 0 40 DDAB COc1cc(C)nc(N(C)S(=O)(=O)c2ccc(C)cc2)n1 181430 BSKMISCWPRXIFM-UHFFFAOYSA-N 307.375 1.927 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2ncccn2)C1 40553700 DMPOICGCPUZKRK-ZDUSSCGKSA-N 315.377 1.409 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n(C)n1 40512238 BWKBATNMTGJZKB-CQSZACIVSA-N 312.373 1.716 0 40 DDAB O=C1CN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)CCN1 51380113 MHCCWEMGFMXUCK-GOSISDBHSA-N 315.417 1.466 0 40 DDAB CC(C)CNC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 20671516 VKSOKUBZOZWPTN-LLVKDONJSA-N 321.352 1.755 0 40 DDAB Cc1noc(C)c1CC(=O)OCc1cc(=O)n2ccsc2n1 21493299 PSPGXPBWFLCXAX-UHFFFAOYSA-N 319.342 1.647 0 40 DDAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCCCCC3)cnc21 32894302 ABBNNRLJRCIRMY-UHFFFAOYSA-N 316.361 1.074 0 40 DDAB CN(CCOc1ccc(Cl)cc1)C(=O)CCCNC(N)=O 33025936 BHFDHFFSOCROHX-UHFFFAOYSA-N 313.785 1.626 0 40 DDAB O=C(c1ccc(-n2cncn2)cc1)N(C[C@@H]1CCOC1)C1CC1 46938626 MEURECFFOILTKX-ZDUSSCGKSA-N 312.373 1.908 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1[C@H](O)C(F)(F)F 77174652 DAWLINGTOBVJGQ-WZRBSPASSA-N 308.344 1.775 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C1 53894636 JJHIBGGECOUBFE-LBPRGKRZSA-N 315.398 1.681 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC1CC1 42207453 HXOPHJKYFUMJNG-LLVKDONJSA-N 317.842 1.704 0 40 DDAB CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@H](O)CN1 42364321 BFAKAEJRTSYHLV-IUCAKERBSA-N 319.224 1.192 0 40 DDAB COCCN1CCN(CCC(=O)N[C@H](C)c2ccccc2)CC1 54429450 AMBIAAWLIQTOMW-MRXNPFEDSA-N 319.449 1.518 0 40 DDAB N#C/C(=C/c1ccc(N2CCCCC2)c(F)c1)C(=O)NC(N)=O 6969782 WSVXXPFZABZTOE-WQLSENKSSA-N 316.336 1.918 0 40 DDAB CCCNC(=O)NC(=O)CSc1nnc(C2CC2)n1CC 7618401 GGXWSQOEQHDGCY-UHFFFAOYSA-N 311.411 1.503 0 40 DDAB CCn1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cn1 24577230 IRIDUOPZFCYDCS-UHFFFAOYSA-N 309.347 1.490 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc[nH]c1=O 3240614 IZGWPOYFIGXIEY-LLVKDONJSA-N 312.325 1.510 0 40 DDAB CCOc1ncccc1C(=O)OCC(=O)NCc1ccccc1 3228358 MWGUVESDJVDADE-UHFFFAOYSA-N 314.341 1.954 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@H](CC(C)C)N1CCOCC1 26064370 FLAXJWXKVMCJEA-HNNXBMFYSA-N 323.437 1.697 0 40 DDAB C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccccn1 26183935 PXSZPFWGWIXZTO-ZDUSSCGKSA-N 312.377 1.464 0 40 DDAB C[C@@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)CCO1 57258680 XOHOUURNSAKFCG-CQSZACIVSA-N 314.389 1.862 0 40 DDAB CCn1nc(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 27982884 IWCLNBULHVLWGR-UHFFFAOYSA-N 322.390 1.420 0 40 DDAB CCOC(=O)c1sc2ncnc(NCC(=O)NC)c2c1C 12698630 METBTRQTUNTRMX-UHFFFAOYSA-N 308.363 1.334 0 40 DDAB O=C(N[C@H]1CCCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 48278926 HFPDUIRARUCKLT-OCCSQVGLSA-N 308.403 1.550 0 40 DDAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCNCC1)O2 27518430 UBQNZKMELMBKHG-SFHVURJKSA-N 318.417 1.833 0 40 DDAB Cc1cc(NC(=O)CNc2ccc(F)cc2OCCO)no1 58191480 RNBLCQYEOHZQBE-UHFFFAOYSA-N 309.297 1.544 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCC 12757304 JXEIORSVSQJLPG-SNVBAGLBSA-N 308.334 1.476 0 40 DDAB COCCn1cnnc1S[C@@H](C)C(=O)NCc1ccco1 44865644 CQLRPJBEWBGTAY-JTQLQIEISA-N 310.379 1.315 0 40 DDAB C[C@@H](OC[C@H](O)CNC(=O)c1ccccn1)c1ccccc1 58266519 VSAKAPDEBXASBP-UKRRQHHQSA-N 300.358 1.950 0 40 DDAB Cc1cc(NC(=O)c2ccccc2NS(C)(=O)=O)n(C)n1 58277714 FAFIPSSFBIWJCO-UHFFFAOYSA-N 308.363 1.352 0 40 DDAB COC[C@H](C)N(C)C(=O)c1nn(-c2ccccc2)cc1OC 44970009 JAMWROBGYHYPFB-LBPRGKRZSA-N 303.362 1.988 0 40 DDAB CCOc1ccccc1C(=O)NCCN1C(=O)CSC1=O 44972610 SBXUONCMNIFMCX-UHFFFAOYSA-N 308.359 1.511 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1nc2nc(C)cc(C)n2n1 24726853 DWHUKDJVISLMAG-LLVKDONJSA-N 319.365 1.059 0 40 DDAB CCN(CC)C(=O)CNC(=O)C(C)(C)NC(=O)OC(C)(C)C 58393277 NXYOJEOUHGHQRV-UHFFFAOYSA-N 315.414 1.274 0 40 DDAB CCc1nc(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)cs1 58378355 JXCDXPRVTLNGOX-CYBMUJFWSA-N 317.414 1.461 0 40 DDAB Cc1ccc(CNC(=O)Cn2cnc3ncccc3c2=O)cc1 58378528 PCQYZBRZKMNNLE-UHFFFAOYSA-N 308.341 1.416 0 40 DDAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(C)cc(C)c1 3315807 AOBVCOCYJCKUDC-UHFFFAOYSA-N 321.373 1.920 0 40 DDAB Nc1ccc2nc(OC(=O)N(O)N3C(=O)CCC3=O)ccc2c1 116850301 MEYZIGGCNFHINA-UHFFFAOYSA-N 316.273 1.071 0 40 DDAB O[C@@H](CN(Cc1cccnc1)C[C@H]1CCCO1)Cn1cccn1 58404477 MHUQIGKMYCVOSW-DLBZAZTESA-N 316.405 1.320 0 40 DDAB NC(=O)N1CCC(C(=O)NCCc2ccc(Cl)s2)CC1 48314269 GAVJHVYYBUVJDF-UHFFFAOYSA-N 315.826 1.851 0 40 DDAB C[C@H](NC(=O)C1=COCCO1)c1ccc(S(C)(=O)=O)cc1 10968134 YQOIJDBQPMOURJ-JTQLQIEISA-N 311.359 1.156 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)NCCCn1cncn1 45647353 ZQVOESOCPKRKCV-NSHDSACASA-N 321.356 1.876 0 40 DDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1 11511833 STPMJPVZIUISAO-UHFFFAOYSA-N 300.314 1.479 0 40 DDAB CC(C)Oc1ccc(CCNC(=O)N2CC[C@@H](C(N)=O)C2)cc1 45894647 XTMMMYBCRNLFSB-CQSZACIVSA-N 319.405 1.533 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccccc1 28576594 KPILIJVVWPGTHW-CYBMUJFWSA-N 323.356 1.746 0 40 DDAB CCCN1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 72234947 CIIWGBCSNFYUPW-LSDHHAIUSA-N 305.426 1.706 0 40 DDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOC[C@@H]2C)o1 72298306 WIBRSPNDIHKZML-WCQYABFASA-N 314.407 1.690 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN([C@@H](C)c3cccnc3)CCO2)n1 72253511 QYHGLTUSDFTXIP-LRDDRELGSA-N 301.394 1.752 0 40 DDAB O=C(c1c(F)cccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269607 SANNDVBIOHVWPE-UONOGXRCSA-N 310.344 1.636 0 40 DDAB N=C(Cn1cncn1)NNc1ncc(C(F)(F)F)cc1Cl 3470210 LHGGBKWITLLYJK-UHFFFAOYSA-N 319.678 1.939 0 40 DDAB COc1ccc(CC(=O)N2CCC(CC(N)=O)CC2)cc1F 49394922 KMHJVKDLSZCFOS-UHFFFAOYSA-N 308.353 1.491 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1C[C@@H](C)O[C@H](C)C1 14093252 DNXQXAVQIRYBQW-VXGBXAGGSA-N 300.362 1.825 0 40 DDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(C)=O)c1 14232785 VOXLGXLUACBQLB-VIFPVBQESA-N 306.318 1.738 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(C)c1 6652149 ULDOATHVYZUERU-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1C1CC1 6947835 SLTRZUSVEQGXSW-UHFFFAOYSA-N 314.374 1.547 0 40 DDAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]1CN1CCCCC1 69078304 UBPDUYWZQYRXJL-AWEZNQCLSA-N 324.469 1.561 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCC(CN2CCOCC2)CC1 69029266 KZTIEGZTMPAXHG-KRWDZBQOSA-N 317.433 1.257 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N1CCCc2cc(OC)ccc2C1 69390660 BJHQCLWZOBDCMI-LLVKDONJSA-N 305.378 1.288 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cn1 71856932 CGDOXSLICOEJNA-LBPRGKRZSA-N 322.311 1.838 0 40 DDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCc1nccn1C 69455256 HAZWINYTBQJUNW-ZDUSSCGKSA-N 320.437 1.554 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)Nc2cc(C)nn2C)c1 69597148 BQJDTKHLYDGCLX-STQMWFEESA-N 304.398 1.411 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCc2nnnn2-c2ccccc2)c1 69528876 LGJWNSZTHUDSLJ-ZIAGYGMSSA-N 311.393 1.907 0 40 DDAB CC[C@H]1CN(Cc2cn3c(C)cccc3n2)CCN1C[C@@H](C)O 71864690 NWLNQHWWTSDDLB-WBVHZDCISA-N 316.449 1.920 0 40 DDAB C[C@@H](NC(=O)NCc1nccs1)C(=O)N1CCCC[C@H]1C 69632575 XAWJCGLSHWLAOC-GHMZBOCLSA-N 310.423 1.732 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)c2ccco2)CC1 69626867 OTILGOFKRGPNMJ-UHFFFAOYSA-N 302.378 1.844 0 40 DDAB COc1cc(C(=O)OCc2cc(C)no2)ccc1OCC(N)=O 8543159 OIXLKFCTEJLGOU-UHFFFAOYSA-N 320.301 1.213 0 40 DDAB Cc1cc(NC(=O)N2CC(=O)NC(=O)C23CCCCC3)on1 69819307 XDUWSSYCBZLLJD-UHFFFAOYSA-N 306.322 1.176 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN(Cc3nnnn3C3CC3)C2)n1 69840668 KVOHGMLWQWTDAN-ZDUSSCGKSA-N 316.413 1.129 0 40 DDAB Cn1c(=O)c(Cn2cnc3sccc3c2=O)nc2ccccc21 97201062 RRROCRNGELEDEN-UHFFFAOYSA-N 324.365 1.753 0 40 DDAB COc1cccc(-c2noc(N[C@H]3CC(=O)N(C4CC4)C3)n2)c1 95406862 TWSRNAKTAUPWLL-NSHDSACASA-N 314.345 1.920 0 40 DDAB COC[C@H](O)CNC(=O)C1(c2ccc(F)cc2F)CCCC1 95445550 GZNRESATDGOEND-GFCCVEGCSA-N 313.344 1.900 0 40 DDAB Cc1cnc([S@](=O)CC(=O)NCc2sccc2C)nc1 95940704 DDYAXJGYSSYBBN-FQEVSTJZSA-N 309.416 1.579 0 40 DDAB Cc1cc(NC(=O)c2nccnc2N)nn1-c1cccc(F)c1 95989217 ZCNUHNNRIBAKGH-UHFFFAOYSA-N 312.308 1.944 0 40 DDAB O=C1C[C@H](NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CN1 95996753 NFSRYFSPHWFWCX-WDEREUQCSA-N 300.280 1.727 0 40 DDAB CCOc1ccc(C(=O)N[C@H](CO)Cc2ccccc2)cn1 89269756 HBVGHHMMPDZEKO-HNNXBMFYSA-N 300.358 1.814 0 40 DDAB CSCC[C@@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 75092449 YKNZAELCACQSQT-SCZZXKLOSA-N 300.346 1.837 0 40 DDAB CC[C@H](Sc1ccccc1)C(=O)N1CCN(C(N)=O)CC1 89941858 DUIAYUJYWVUOLZ-ZDUSSCGKSA-N 307.419 1.780 0 40 DDAB Cc1ccsc1CNC(=O)NC[C@@](C)(O)c1cnn(C)c1 76021295 YDHRUTFNTGTVMU-CQSZACIVSA-N 308.407 1.497 0 40 DDAB NC(=O)CN1CCC(c2cncc(Oc3cccnc3)n2)CC1 72361865 JALJIVBTOBWYCQ-UHFFFAOYSA-N 313.361 1.329 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(N)=S 218302693 ATNKAGVRKQLOHL-UHFFFAOYSA-N 314.432 1.504 0 40 DDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cccs2)n1 211098686 DDPYZPFXTLTXMB-UHFFFAOYSA-N 312.420 1.391 0 40 DDAB CN1CCN(C(=O)CCS(C)(=O)=O)c2cc(F)ccc21 72502745 KKBZDERUDAFNOV-UHFFFAOYSA-N 300.355 1.043 0 40 DDAB CN1C(=O)N(CC(=O)Nc2ccccn2)C(=O)C12CCCCC2 71297196 UAVSLRVDFLMZHV-UHFFFAOYSA-N 316.361 1.617 0 40 DDAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1cc(F)ccc1OC 79324385 GWQWEWCGZSFWEJ-WVDJIFEKSA-N 301.383 1.998 0 40 DDAB O=C(O)c1ccc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)cc1 567501721 DRXHTILEEHJWJD-LLVKDONJSA-N 316.317 1.228 0 40 DDAB O=C(CSCc1ccccc1F)NCCN1CCOCC1 222704584 UZBPXQICWIFDEX-UHFFFAOYSA-N 312.410 1.507 0 40 DDAB COc1ccccc1OCc1cn(CC(=O)NCC(C)C)nn1 227160384 YTGWKOJRVHYKLZ-UHFFFAOYSA-N 318.377 1.638 0 40 DDAB C[C@@H]1CC[C@@H](CNc2cc(N3CCN(C)C(=O)C3)ncn2)C1 530483480 PWZWHLNNYQDBBE-CHWSQXEVSA-N 303.410 1.603 0 40 DDAB COC(=O)Cc1ccccc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 225488618 SGWUHMRUTHRZAR-CZUORRHYSA-N 316.401 1.568 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)Cc2ccon2)C1 96470372 IIVVAOITMXXZAP-JHJVBQTASA-N 315.439 1.460 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96058179 JGMMNAZLISVLSJ-RRFJBIMHSA-N 324.446 1.490 0 40 DDAB Cn1cc(CNCCCN2CCCC2=O)c(-c2cccnc2)n1 97159743 JTMHSOQSMGYZOD-UHFFFAOYSA-N 313.405 1.584 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C2 97198712 QVZJSFLJYCLSFN-CQSZACIVSA-N 315.421 1.606 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2O1)N1CCCCO1 96207397 UUTNKCXKMPOAST-CWRNSKLLSA-N 320.389 1.813 0 40 DDAB Cc1c(CCNC(=O)NCC(C)(C)[C@H](O)C(C)C)cnn1C 96484214 ATCTYFPDPBTRFT-CQSZACIVSA-N 310.442 1.613 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1ccsc1 96486696 VVKHFHGDHXLUOT-WCQYABFASA-N 309.435 1.292 0 40 DDAB CCc1ccc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)o1 92044665 LTIJUAYIZDGLAK-OAHLLOKOSA-N 312.435 1.842 0 40 DDAB c1ccc(Cn2cc(CNc3ccc4nnnn4n3)cn2)cc1 52243958 UGKGOOLUWFHRQI-UHFFFAOYSA-N 306.333 1.376 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2ccnc(O)n2)C1 257230640 GDEPZXJVFIHZIG-NSHDSACASA-N 320.374 1.146 0 40 DDAB Cc1ocnc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257203207 APBFCJYPOPPFIK-ZDUSSCGKSA-N 316.361 1.434 0 40 DDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccccn1 252490918 LEVVEKCTZYBNRZ-UHFFFAOYSA-N 323.360 1.050 0 40 DDAB Cc1ccnn1CCC(=O)N1CCC[C@@H]2[C@H]1CCCC(=O)N2C 257271216 MXJDHGBZMUXYNP-HUUCEWRRSA-N 318.421 1.584 0 40 DDAB Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CCC(=O)O)C3)ccc12 257240622 HUISSAZFBQORKN-VIFPVBQESA-N 317.349 1.111 0 40 DDAB O=C(Cn1cccn1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257322103 WEPMHKBUNFERDL-BFYDXBDKSA-N 315.373 1.360 0 40 DDAB O=c1/c(=C/Nc2ccccc2)sc2nc(-c3ccncc3)nn12 256055565 LKZZYRLWDUXELK-RAXLEYEMSA-N 321.365 1.782 0 40 DDAB O=C(COc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1 257332883 XZEMCYLAHYHSDB-HOCLYGCPSA-N 309.337 1.347 0 40 DDAB CC(C)(NS(C)(=O)=O)c1noc(-c2cncc(F)c2)n1 278161664 SJACOQYANDHITF-UHFFFAOYSA-N 300.315 1.055 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)c2cscn2)Cc2cccn2C1 585099197 UBVJONZNWWNXPQ-LLVKDONJSA-N 318.402 1.353 0 40 DDAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)C2CC2)CC1 70903802 MZSRXEMZBSGBSQ-UHFFFAOYSA-N 323.418 1.016 0 40 DDAB CCC(CC)C(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49482862 YIXHMRYAGLRRAU-UHFFFAOYSA-N 301.350 1.889 0 40 DDAB CC(C)S(=O)(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2C1CC1 1775963833 FYQDBUHSGJAGCJ-SCUASFONSA-N 314.451 1.350 0 40 DDAB biogenic,in-vitro C[C@H](NC(N)=O)C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 56097733 FTTRONTXHUJQDX-VHSXEESVSA-N 300.362 1.670 0 40 DDAB O=C1CC[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N1 89751801 PUCJRIPOAYGXFH-JTQLQIEISA-N 315.156 1.457 0 40 DDAB CO[C@@H](C(=O)NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 12114804 BWTIETITDWHRJM-OAHLLOKOSA-N 323.356 1.871 0 40 DDAB Cc1nn(CC(=O)OC(C)C)c(=O)c2cc3sccc3n12 12115242 GSWBUYJOPJKBIQ-UHFFFAOYSA-N 305.359 1.971 0 40 DDAB COc1ccccc1N1CCN(Cc2ccnn2C)[C@H](C)C1=O 19658614 AUWZKXCLNALUFH-CYBMUJFWSA-N 314.389 1.666 0 40 DDAB CC(=O)N1CCc2nnc([C@@H]3CCCN3CC3CC3)n2CC1 19710722 YEUWLAIBFLHVFJ-AWEZNQCLSA-N 303.410 1.230 0 40 DDAB Cc1nc(N)cc(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1 19758441 LTCLTTXPMOOOAF-CQSZACIVSA-N 304.394 1.327 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(C)c2)NC1=S 8336384 SMQNHOILSQLVBM-XFFZJAGNSA-N 320.370 1.234 0 40 DDAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)O 3282596 SCFAIJDLVZQJNW-OANVXVOSSA-N 315.416 1.783 0 40 DDAB in-vitro CCS(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccnc3)[C@H]2C1 253492531 QDPLVDRSABCOAF-QEJZJMRPSA-N 310.419 1.351 0 40 DDAB O=C(CC1CC1)N1CCC(n2nnc3ccsc3c2=O)CC1 390831124 PTCFMQQUCVLJAF-UHFFFAOYSA-N 318.402 1.817 0 40 DDAB O=C(O[C@H]1CCOC1=O)c1ccccc1S[C@H]1CCOC1=O 6424211 IQBPXCQXTKECQV-JQWIXIFHSA-N 322.338 1.567 0 40 DDAB Cc1cc(N2CCO[C@H](C(=O)N3CCCCC3)C2)nc(C)n1 1888834987 CSKXCPGTRWNCSN-AWEZNQCLSA-N 304.394 1.311 0 40 DDAB COc1cccc(F)c1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037983855 IVNSJBOTSDVOOL-WFASDCNBSA-N 322.380 1.513 0 40 DDAB c1cc(CNc2cc(-n3cncn3)ncn2)cc(N2CCCC2)n1 2087025961 BKPURIUWQGWZJL-UHFFFAOYSA-N 322.376 1.665 0 40 DDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(C(=O)C2CC(F)C2)C1 2055759245 BXZKZRNMUXOFAL-SEEARECTSA-N 322.384 1.037 0 40 DDAB CCc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 43979552 IWZGGTMNIIHWDG-UHFFFAOYSA-N 324.446 1.650 0 40 DDAB Cn1cc(S(=O)(=O)NCc2ccc(-c3ccoc3)o2)cn1 575609774 GRKADPOFCKJIRG-UHFFFAOYSA-N 307.331 1.752 0 40 DDAB COc1ccnc(N2CCN(Cc3ccncc3F)CC2)n1 449007728 BCJMUAIHPQULOT-UHFFFAOYSA-N 303.341 1.342 0 40 DDAB CC(C)Nc1nc(NC2CCCC2)nc(N2CCOCC2)n1 34734 SSWUBMCXPVQUMR-UHFFFAOYSA-N 306.414 1.883 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2=NCCS2)C1 40473690 CZBKKQAPEGKRLX-JTQLQIEISA-N 313.423 1.853 0 40 DDAB CCc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 31628602 URFMRFPTAGHPMG-UHFFFAOYSA-N 302.359 1.940 0 40 DDAB CN(C)CCCNc1c(NCc2ccccc2Cl)c(=O)c1=O 101682605 WPQNUXJWHHPWHU-UHFFFAOYSA-N 321.808 1.912 0 40 DDAB C[C@H](C(=O)Nc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 32796963 BFKUPYDYYZKJLC-MFKMUULPSA-N 315.366 1.747 0 40 DDAB OCCN1CCN(C2CCN([C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 22044948 QYNZLWAIULROHW-RYRKJORJSA-N 307.482 1.249 0 40 DDAB CC(C)[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)O 33520770 CWWPKYKISLVPAI-HNNXBMFYSA-N 320.345 1.028 0 40 DDAB CN(C)c1cccc(NC(=O)C(=O)[C@H]2C(=O)Nc3ccccc32)c1 103445607 WTGXVNZLSDKWAT-HNNXBMFYSA-N 323.352 1.996 0 40 DDAB CCc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 42043195 WQTAKMBOYGULJX-NSHDSACASA-N 314.407 1.386 0 40 DDAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCC1=O 22625682 ZYIRDNKDTGQMNO-GFCCVEGCSA-N 308.353 1.722 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCc2ccccc21 103937771 JALOVOABZZCNHN-UHFFFAOYSA-N 322.368 1.771 0 40 DDAB C[C@H](NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cccnc1 92738420 KERQVAZAWJABMB-USXIJHARSA-N 305.422 1.470 0 40 DDAB CCOC(=O)c1ccc(NN=c2c(=O)c3ccccc3c2=O)cc1 47920 UZHQCFDWTUVOQN-UHFFFAOYSA-N 322.320 1.540 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCS(C)(=O)=O 76494954 SWFCZZKXNZXLSF-CQSZACIVSA-N 324.446 1.154 0 40 DDAB COC(=O)Cc1c[nH]c2ccc(OC[C@H](O)CNC(C)C)cc12 192529 FNTZFISQGWQEBS-CYBMUJFWSA-N 320.389 1.621 0 40 DDAB Cc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1 414523 SWGLVCBXCSBOCX-UHFFFAOYSA-N 308.345 1.869 0 40 DDAB COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 78788703 VXUKCDCMUKFTQK-CVEARBPZSA-N 304.390 1.366 0 40 DDAB CCN(CC)[C@H](CNC(=O)c1nccnc1N)c1ccccc1 22752863 XLVVMJIQOAPZPP-CQSZACIVSA-N 313.405 1.872 0 40 DDAB COC(=O)[C@H]1C[C@H](C(=O)OC)c2nc3cc(C)ccc3nc21 1618397 OCLJDSQPMQWWNY-UWVGGRQHSA-N 300.314 1.855 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCCOC(C)C 2393237 ZIXJSOZGWPQLJK-HNNXBMFYSA-N 322.405 1.885 0 40 DDAB Cc1sc2ccc(Cl)cc2[n+]1C[C@H](O)CS(=O)(=O)O 3043100 ZYNIRFBJDLLOTN-VIFPVBQESA-O 322.815 1.399 0 40 DDAB CCOc1ccccc1OCC(=O)N[C@@H]1CCCCNC1=O 42477983 AQVRMRVPVDXRPN-GFCCVEGCSA-N 306.362 1.249 0 40 DDAB O=C(O)C[C@H](NC(=O)c1ccco1)c1ccc2c(c1)OCO2 4717964 ARLFTORHZUDQPW-JTQLQIEISA-N 303.270 1.954 0 40 DDAB Cn1cnn(CC(=O)N(c2ccc(F)cc2)C2CCCC2)c1=O 97049437 LFFMWBXIJIHBKS-UHFFFAOYSA-N 318.352 1.697 0 40 DDAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)NC(C)C 7457517 KIOPDNVWHDSPSW-UHFFFAOYSA-N 301.346 1.688 0 40 DDAB CC(C)c1nc(C(=O)N2CC[C@@H](N)C2)nn1-c1cccc(F)c1 97019578 FQCNPMGTVYUMKQ-GFCCVEGCSA-N 317.368 1.703 0 40 DDAB O=C(c1ccc(-c2cnco2)cc1)N1CCN(CCO)CC1 97505900 DCDGVMOMAVHCRF-UHFFFAOYSA-N 301.346 1.092 0 40 DDAB CCCNC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 7939215 NAAKHPIKXFXTMI-UHFFFAOYSA-N 309.318 1.149 0 40 DDAB Cc1ccc(O)c(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 24700465 NIJRYQSJBLNXRL-UHFFFAOYSA-N 320.370 1.278 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O 25106956 LRTBCPFCBUZNSH-YMTOWFKASA-N 317.345 1.081 0 40 DDAB COc1ccc([C@@H](C)N(C)C(=O)CN2CSCC2=O)cc1 58636117 LLKBOMYYXHWCTQ-LLVKDONJSA-N 308.403 1.748 0 40 DDAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)NCCO2 9171557 XXSLJBDQHHVRLD-UHFFFAOYSA-N 312.325 1.826 0 40 DDAB COc1cccc(CCC(=O)N2CCC[C@@H](C(N)=O)C2)c1OC 9515078 MUSLSOYRDKUUKJ-CYBMUJFWSA-N 320.389 1.360 0 40 DDAB CCc1nc(CN2CCCC[C@@H]2CNS(C)(=O)=O)cs1 26175882 HLDHCJISFGYXKY-GFCCVEGCSA-N 317.480 1.609 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCCCc2ccccc21 47975646 JONGRTOTXRAHJD-UHFFFAOYSA-N 300.358 1.895 0 40 DDAB COc1ccc2[nH]c(C)c(C(=O)CN(C)CC3OCCO3)c2c1 57063788 IPTDPJZLQJDKSW-UHFFFAOYSA-N 318.373 1.972 0 40 DDAB Nn1c(SCC(=O)N2CCCC2)nnc1-c1cccs1 3293182 OKFKKSDTBAUERR-UHFFFAOYSA-N 309.420 1.435 0 40 DDAB CN1CC[C@@H](C(=O)N2CCN(Cc3ccsc3)CC2)CC1=O 44335518 OANSJINUSSAVKC-CQSZACIVSA-N 321.446 1.261 0 40 DDAB CCn1nc(C(=O)OCC(=O)NC(C)C)c2ccccc2c1=O 3283700 QDMVVKIJHQVLNA-UHFFFAOYSA-N 317.345 1.098 0 40 DDAB COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)c(C)c1 62132563 GRKJKJSSNNBRPS-LLVKDONJSA-N 313.375 1.407 0 40 DDAB Cn1cc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cn1 107228022 ZEGHDRBDLVCDIE-SJORKVTESA-N 305.422 1.970 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)COCCOc2ccccc2)C1 58210291 BHWUTSUXBQYPFV-INIZCTEOSA-N 320.433 1.929 0 40 DDAB COCC(=O)N[C@H](CN1CCCCCC1=O)c1ccccc1 58202214 XYPGOVRRQKGWJB-OAHLLOKOSA-N 304.390 1.893 0 40 DDAB CCN(C(=O)Cn1c(-c2ccccc2C)noc1=O)C1CC1 58280097 IZTIZKISYBOPPS-UHFFFAOYSA-N 301.346 1.823 0 40 DDAB CCCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 2179497 UOGVBFIMQWLWMY-UHFFFAOYSA-N 302.371 1.508 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc(-c2ccccc2)nc1 58332626 CIKNIPLEMUFKPO-GXTWGEPZSA-N 324.384 1.870 0 40 DDAB O=C(NOCc1ccccc1)[C@H]1CCCN(c2ncccn2)C1 45141855 IDTBDBLBMCBJEQ-HNNXBMFYSA-N 312.373 1.941 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1[C@@H]2CC[C@@H]1COC2 101328518 JVGBIXCBVLTXKA-RKDXNWHRSA-N 317.388 1.087 0 40 DDAB CC(=O)N[C@@H](C(=O)NCCCOc1ccccc1F)C(C)C 11355108 JJWOJKVHWPOJOE-OAHLLOKOSA-N 310.369 1.872 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1F 3309344 YKRPIMGOGGZBIE-UHFFFAOYSA-N 305.309 1.629 0 40 DDAB CC(C)CN1CCN(S(=O)(=O)c2ccccc2F)CC1 37975644 DJYKRICFQDBGLN-UHFFFAOYSA-N 300.399 1.788 0 40 DDAB CCCNC(=O)CNC(=O)c1cc(F)cc2nc(C)c(C)nc12 48386063 CCSXOSQUZODTPF-UHFFFAOYSA-N 318.352 1.642 0 40 DDAB COC(=O)c1ccc(CS(=O)(=O)NC[C@H]2CCCO2)cc1 20481477 YPRCNSMNLZMLFM-CYBMUJFWSA-N 313.375 1.072 0 40 DDAB C[C@H]1CN(C(=O)/C=C/c2nc3ccccc3[nH]c2=O)C[C@@H](C)O1 12942996 FQMKWZWKRKWIME-GRPTYIHUSA-N 313.357 1.572 0 40 DDAB O=C(c1cc(Cl)ccc1O)N1CCN(c2ncccn2)CC1 12926343 YMKKYGAWDNKGKN-UHFFFAOYSA-N 318.764 1.798 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)C[C@H](C)C2CC2)cc1 63680693 HKMWAKUNUKQWTD-ZDUSSCGKSA-N 324.446 1.826 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1cccc(C(C)=O)c1 6011699 ZUDYBRXFBFDOAX-BQYQJAHWSA-N 319.313 1.490 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 4206086 NGOFHWMILIWKFA-UHFFFAOYSA-N 320.164 1.588 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NC(=O)NC(C)C)nnc2n1 6172088 ZVWMXNUBVAVSRJ-UHFFFAOYSA-N 322.394 1.067 0 40 DDAB COC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 4385893 VZHOLBOAQIAJJD-AXAPSJFSSA-N 302.330 1.344 0 40 DDAB C[C@H](NC(=O)Cn1cccn1)c1ccc2c(c1)NC(=O)CO2 65567648 IGBFCEILUMIMQZ-JTQLQIEISA-N 300.318 1.091 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNCc2cnc(C)cn2)ncn1 84258500 YNMSPTSJEXHXBX-CQSZACIVSA-N 313.409 1.375 0 40 DDAB O=C(CO)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 6584704 IOJBRBIKMFTIQB-UHFFFAOYSA-N 318.782 1.055 0 40 DDAB CC(C)c1noc(CCCC(=O)N[C@@H]2CCc3nccn3C2)n1 97197890 XXTTUQMLUFLQAE-GFCCVEGCSA-N 317.393 1.843 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 6876702 WNKZMJDFMVEMBW-UHFFFAOYSA-N 318.333 1.584 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCC(O)CC1 15307046 XGGCGHAQMZPSFT-UHFFFAOYSA-N 320.389 1.221 0 40 DDAB Cc1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)n(C)n1 67523791 NJFMBQGRCMUABM-UHFFFAOYSA-N 313.336 1.983 0 40 DDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)NC1(CCO)CCC1 96483902 ONVZGZXNPOFDOT-CYBMUJFWSA-N 304.394 1.265 0 40 DDAB CN(Cc1ccc[nH]1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 80969985 HQTXINYYGSAJGE-VIFPVBQESA-N 303.284 1.384 0 40 DDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 16582794 CDNHAOQFFDPWDW-JQWIXIFHSA-N 304.346 1.633 0 40 DDAB Cc1cc(C(=O)N2CCN(CCCc3cnn(C)c3)CC2)on1 71830487 OXZLPXHPANQAJL-UHFFFAOYSA-N 317.393 1.107 0 40 DDAB O=C1CNC(=O)N1CC(=O)N1CCC[C@H]1CCc1ccccc1 71821574 BBUJRZSAVCGJGG-AWEZNQCLSA-N 315.373 1.162 0 40 DDAB Cc1cn2nc(N3CCC(N4CCO[C@H](C)C4)CC3)sc2n1 71821713 LOFGTSRACUOXJS-GFCCVEGCSA-N 321.450 1.789 0 40 DDAB CCCN(C[C@H]1CCCCO1)C(=O)c1c(C)c(C)nn(C)c1=O 71883005 SQGXKARGALVUNB-CQSZACIVSA-N 321.421 1.818 0 40 DDAB COCCOCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 71853460 AKCFBSYQTZEBHV-UHFFFAOYSA-N 321.373 1.616 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1cccnc1SC(F)(F)F 69337738 MXJNZIJDUMBEMB-MRVPVSSYSA-N 319.308 1.702 0 40 DDAB Cc1ccc(C(=O)[C@H](C)c2cnc3n(C)c(=O)[nH]c(=O)n23)cc1 28527401 FEXQABWUJDFARW-SNVBAGLBSA-N 312.329 1.016 0 40 DDAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCOCC3)ccc12 19912312 QAGAJMDDQMVNEJ-CYBMUJFWSA-N 319.357 1.173 0 40 DDAB CCc1[nH]c(C(=O)OCC(=O)NC(C)C)c(C)c1C(=O)OC 8328960 MQLQVGBDEKFDSG-UHFFFAOYSA-N 310.350 1.354 0 40 DDAB Cc1ccc(-n2cc(S(=O)(=O)Nc3ccon3)cn2)cc1 96500768 PJXQTNBVTQJAJQ-UHFFFAOYSA-N 304.331 1.970 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2ccc(C(N)=O)cc2)n1 69571691 ZDMCRKOUWVKUBT-MRXNPFEDSA-N 313.405 1.658 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2cnc(C3CC3)s2)CC1 69807644 CNDGRCMKYOBCOY-UHFFFAOYSA-N 309.435 1.549 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1noc(C(C)(C)C)n1)CC2 97202565 QHNLVZOKQYITTP-UHFFFAOYSA-N 316.409 1.781 0 40 DDAB COc1ncnc2c1CN(Cc1nc(-c3ccco3)no1)CC2 97201866 APHKVLILPZVADO-UHFFFAOYSA-N 313.317 1.687 0 40 DDAB O=C(Nc1nc2c(s1)CCC2)C1(n2cnnn2)CCCCC1 72402897 VUZXUMLWRXOHFC-UHFFFAOYSA-N 318.406 1.916 0 40 DDAB NC(=O)NC(=O)CCN1CCc2cc(Cl)cc(Cl)c2C1 84133216 NZXLVTCYZMRASO-UHFFFAOYSA-N 316.188 1.937 0 40 DDAB CCN(CC)C[C@@H](O)CN1CCN(Cc2ccccc2)CC1 84771221 UZFZDABIUNDMTB-GOSISDBHSA-N 305.466 1.507 0 40 DDAB O=S(=O)(CCn1ccnc1-c1cnccn1)c1ccccc1 95438690 OTTAFCAVPWRSOW-UHFFFAOYSA-N 314.370 1.814 0 40 DDAB NC(=O)[C@@H]1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1 74283522 HOYWPSVEPORMDF-LLVKDONJSA-N 311.345 1.041 0 40 DDAB C[C@@H]1CN(C(=O)COc2cccc(C(F)(F)F)n2)CCO1 95990917 MEGBKSJQZCSXOP-SECBINFHSA-N 304.268 1.727 0 40 DDAB CC(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 95975587 WPFGTCDUWXCMPY-KRWDZBQOSA-N 315.417 1.514 0 40 DDAB COc1cc(CNC(=O)CN(C)[C@@H]2CCSC2)ccc1O 89337169 YGVYTTWVGXRFOS-GFCCVEGCSA-N 310.419 1.454 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)[C@H](c1c(F)cccc1F)N(C)C 89978103 YEUSDBKKOGLAMP-ZANVPECISA-N 314.332 1.635 0 40 DDAB O=C(CN1CCC[C@H](CO)C1)NCCOc1ccc(F)cc1 75617382 ZTDBTAMZWUBCTE-ZDUSSCGKSA-N 310.369 1.025 0 40 DDAB CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CC=CCC2)c1 76309124 UELUTFFMASJZPG-ZDUSSCGKSA-N 308.403 1.775 0 40 DDAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc(=O)n(C)c1 548724406 UASFVZOJYXHSDZ-LBPRGKRZSA-N 316.361 1.265 0 40 DDAB CN1CCC[C@H]1c1nc(C(=O)N2CCOCC2)c2ccccn12 306124686 BWOJDOYMGVUYJM-AWEZNQCLSA-N 314.389 1.573 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCCCOC(C)C 38718155 PPLBBPWPWAAZCA-UHFFFAOYSA-N 308.378 1.243 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)Nc1ccc2[nH]ccc2c1 72859524 OOXWCPAHYUEAOV-UHFFFAOYSA-N 309.391 1.778 0 40 DDAB CS(=O)(=O)c1cncnc1[C@H]1CCCN(c2cnccn2)C1 72356512 FPHXLBXOMUQNPN-NSHDSACASA-N 319.390 1.054 0 40 DDAB CCc1nc2c(N3CCC4(CC3)CNC(=O)C4)ncnc2o1 77506006 AGSPDTSTRTYAAX-UHFFFAOYSA-N 301.350 1.287 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H](C)O[C@H](C)C2)o1 72241089 HEGLOHHCEISNHK-VNHYZAJKSA-N 320.389 1.715 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 76206014 FEIJSRQGVFQMFL-OAHLLOKOSA-N 322.453 1.158 0 40 DDAB CCc1nnsc1C(=O)N(CCOC)Cc1ccccn1 79352042 IQMHHVGAQIDDHI-UHFFFAOYSA-N 306.391 1.784 0 40 DDAB CC(=O)N(CCC(=O)N[C@@H]1CCCN(C)C1)Cc1ccccc1 78978673 QZIXYEDVWIWEIS-QGZVFWFLSA-N 317.433 1.636 0 40 DDAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218569034 ICNAIGMPSMZXNG-JYJNAYRXSA-N 321.373 1.455 0 40 DDAB C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccco2)C[C@@H](C)O1 226160271 MUBUEJVNWLAPBH-YRGRVCCFSA-N 306.362 1.406 0 40 DDAB COc1cc(CN2C(=O)CC[C@@H]2C(=O)O)cc(OC)c1OC 49920246 LXXOVXRFFJHSSI-SNVBAGLBSA-N 309.318 1.288 0 40 DDAB COCCN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 69622969 HGIVXUGHVDSJFI-CHWSQXEVSA-N 310.781 1.404 0 40 DDAB Cc1cccc(C)c1OCc1ncc(CCC(=O)O)c(=O)[nH]1 223444209 ZBTWCLCSIGCRDW-UHFFFAOYSA-N 302.330 1.983 0 40 DDAB CC[C@@H]1COCCN1C(=O)CNC(=O)c1ccc2c(c1)CCC2 86335610 RFVFRCOZHIWUAX-MRXNPFEDSA-N 316.401 1.543 0 40 DDAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223065094 ADHCODUETYSYNQ-LLVKDONJSA-N 316.398 1.502 0 40 DDAB Cc1ccccc1C(=O)Nn1ccc2c(nnc3ccnn32)c1=O 40388117 LYSLDOXMQCVFGG-UHFFFAOYSA-N 320.312 1.132 0 40 DDAB C[C@@H](CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 63662698 OPGAQVYPSXPGEF-DZGCQCFKSA-N 308.422 1.520 0 40 DDAB Cc1ccc(-c2nnsc2C(=O)N2CCN(C)CC2)cc1 225775512 QQBWNLYWSSNHGO-UHFFFAOYSA-N 302.403 1.901 0 40 DDAB CC(C)(C)[C@H](N[C@@H]1CCCOC1)c1nc(-c2nc[nH]n2)no1 96494919 HVFATUCFBRULQO-NXEZZACHSA-N 306.370 1.711 0 40 DDAB O=C(N1CCCC1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96055845 QVMNGLYUPNQAID-JKSUJKDBSA-N 300.406 1.946 0 40 DDAB COC(=O)c1ccc2nn(CCc3c(C)noc3C)c(=O)n2c1 96484848 GCIWOZQESGYEGI-UHFFFAOYSA-N 316.317 1.130 0 40 DDAB COCCC(=O)N1CCn2c(COCC3CC3)cnc2[C@H]1C 96109758 MDZJQTPPQBFFKY-GFCCVEGCSA-N 307.394 1.749 0 40 DDAB CCSCC[C@H](C)NC(=O)NC[C@@H]1CN(C)CCN1C 96440128 PLZVLVSBQASPSP-QWHCGFSZSA-N 302.488 1.063 0 40 DDAB COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 96188894 KUKGFPONMBXHQE-AWEZNQCLSA-N 315.373 1.890 0 40 DDAB CN1CC(=O)N(Cc2ccnc(-c3ccc(F)cc3)n2)C1=O 95433585 IMNNMHKRHJFUAB-UHFFFAOYSA-N 300.293 1.677 0 40 DDAB CCOCC(=O)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96158354 PEEGBZCVZHOEAO-INIZCTEOSA-N 322.384 1.471 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)C1 93530791 MAJPQRPCZYOFJM-GFCCVEGCSA-N 312.366 1.695 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158287 DRBDABWEWYXSFO-AWEZNQCLSA-N 310.423 1.119 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](C)CC(=O)NC(C)C 96440668 RUGANVKROHWRQE-MNOVXSKESA-N 324.425 1.825 0 40 DDAB Cn1cc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cn1 96055727 BFNHPLIUSZKUDZ-UONOGXRCSA-N 302.403 1.861 0 40 DDAB Cc1nc(CN2Cc3ccnn3[C@@H](C(=O)NC(C)C)C2)cs1 247983426 YFKOMEVLQCTBFA-CQSZACIVSA-N 319.434 1.730 0 40 DDAB CNC(=O)CN1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 257220852 DMLNWJIXOHZZPB-CYBMUJFWSA-N 312.377 1.498 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H](c2ccc3c(N)nn(C)c3n2)C1 257321002 VZRFAUCGHSYCAW-SNVBAGLBSA-N 323.422 1.080 0 40 DDAB CNc1cccc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257253699 JZYFPUKDCHGXME-AWEZNQCLSA-N 304.394 1.119 0 40 DDAB O=C(CCOc1ccccc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257339711 ZCWPLHWCRKUBJY-RDJZCZTQSA-N 305.374 1.598 0 40 DDAB CCN[C@H]1CCOC2(CCN(C(=O)c3ccnn3C)CC2)C1 257261183 LGBYCOVNGYIMDA-ZDUSSCGKSA-N 306.410 1.183 0 40 DDAB Cn1cnc(S(=O)(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3)c1 257255154 KGISTTUWJZAMCG-XPCVCDNBSA-N 324.450 1.104 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccoc1 85471642 OIUTYYKNUOKRTK-CQSZACIVSA-N 323.370 1.293 0 40 DDAB CC(=O)NCc1cccc([C@H]2CCCN2C2CCN(C)CC2)n1 257224776 FDHQLVMWFUIVMB-GOSISDBHSA-N 316.449 1.949 0 40 DDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4cnccn4)C3)cn2c1 257272935 NELHCKVFTWHPDK-HNNXBMFYSA-N 323.356 1.646 0 40 DDAB O=C(C1CC(F)C1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406554 ZAWLDZVHALFTPF-JXQTWKCFSA-N 320.364 1.969 0 40 DDAB CSCC(=O)N1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 575406068 VCMJTPUBIUMNSR-LBPRGKRZSA-N 323.418 1.287 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cscn1)C2 585150429 YSFKIYNWDBRKJC-SNVBAGLBSA-N 303.391 1.286 0 40 DDAB Cc1cn(CC(=O)N2CCn3c(C)nnc3C2)c2ccccc12 69842898 WKUAADCANCLADH-UHFFFAOYSA-N 309.373 1.892 0 40 DDAB Cc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(C)n1 67370206 QUKLSWVTCWCXJZ-UHFFFAOYSA-N 310.365 1.086 0 40 DDAB C[C@@H]1CN(CC2(O)CCCCC2)CCN1Cc1nccn1C 69442904 NNPQIKUAMFHKHN-OAHLLOKOSA-N 306.454 1.621 0 40 DDAB CCOc1ccnc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 69565026 PZSFWGHPIXVMCD-NSHDSACASA-N 318.381 1.450 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)[nH]n1 71823444 MFNUAVSNLTYXMC-WCQYABFASA-N 312.373 1.803 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1 35308066 PQVFETDOVSCNLQ-UHFFFAOYSA-N 305.353 1.318 0 40 DDAB N[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 37116612 NSXMPLRLJWYJOX-SNVBAGLBSA-N 308.325 1.817 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)NCCc1cn2ccccc2n1 45425522 XJXKHDGJSNYNDY-AWEZNQCLSA-N 316.405 1.945 0 40 DDAB Cc1ccc2nc(C)c(C(=O)Nc3cnn(CC(N)=O)c3)cc2c1 53413822 INZQSTBFWHIWIF-UHFFFAOYSA-N 323.356 1.786 0 40 DDAB CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCNC2=O)cc1 58202861 JTIDDEJYSXFHCJ-AWEZNQCLSA-N 318.373 1.443 0 40 DDAB O=C(NCC[S@@](=O)c1ccccc1F)[C@@H](O)c1ccccc1 73766399 XTJVQIWPAXHODB-NYHFZMIOSA-N 321.373 1.783 0 40 DDAB CC[C@@H]1CN(C(=O)Nc2ccc(OCCOC)nc2)CCO1 61579208 BFFJPWMDQUPCIR-CYBMUJFWSA-N 309.366 1.750 0 40 DDAB Cn1cccc(NC(=O)N2CCc3ccccc3[C@H]2CO)c1=O 89756706 KDFPBJWNBOHFGM-OAHLLOKOSA-N 313.357 1.509 0 40 DDAB O=C1[C@H]2NC[C@H]2C[C@H]1N1CC1 97371710 YPBNDEASQFAOAI-UHFFFAOYSA-N 152.197 -0.769 0 40 DDAB Cc1cc(C)c2c(N[C@@H]3COC4(CCNCC4)C3)n[nH]c2n1 19657286 MXZVUCCPNGDVQR-LBPRGKRZSA-N 301.394 1.898 0 40 DDAB O=S(=O)(Nc1ccc(Br)cc1)c1cnc[nH]1 2500156 PVLMWDPKRUHLMK-UHFFFAOYSA-N 302.153 1.973 0 40 DDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(S(C)(=O)=O)C3)nc1 1888853238 AJKROCDBIGQHKJ-GXTWGEPZSA-N 311.407 1.226 0 40 DDAB CC(=O)N[C@H]1CC2(CCN(C3CCCCC3)CC2)OC[C@]1(C)O 2037849849 WIDXVGNPIABROZ-IRXDYDNUSA-N 324.465 1.830 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2C1 1614935842 WTVVYBQLTFQMKI-GOEBONIOSA-N 306.381 1.547 0 40 DDAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 2086923660 RTQIHCXULFTSGK-HNNXBMFYSA-N 319.449 1.854 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCC[C@@]2(CCNC2=O)CC1 1565542110 NZUXQLCASATVDC-QGZVFWFLSA-N 304.365 1.887 0 40 DDAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1 541846 GAUNKTINRGIOSC-UHFFFAOYSA-N 313.357 1.006 0 40 DDAB COC[C@@H]1Cn2nnc(C)c2CN1Cc1cccc(OC)c1 2055734541 HMPVVNCZEILTMK-AWEZNQCLSA-N 302.378 1.626 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2O)ccc1O 5516158 FROXUWSPSCLJNN-UHFFFAOYSA-N 309.299 1.597 0 40 DDAB COc1ccc(Cc2nc(CN3CCCC3=O)no2)cc1OC 72329949 AWTYFNBFAXGROA-UHFFFAOYSA-N 317.345 1.800 0 40 DDAB CC(C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)N(C)C 30610604 AGYBKQAZUNTTTI-HNNXBMFYSA-N 316.405 1.099 0 40 DDAB Cc1cc(CN(C)C(=O)[C@@H]2CCCN(c3cnccn3)C2)no1 31115203 IMXVBBQPPBLHKQ-CYBMUJFWSA-N 315.377 1.648 0 40 DDAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nncs1 31891513 AIUUFASUGNSNBE-UHFFFAOYSA-N 301.331 1.195 0 40 DDAB CCCn1nc(C(=O)NCc2ccc(O)c(OC)c2)ccc1=O 40512431 ZJCKMJWKFKYRSF-UHFFFAOYSA-N 317.345 1.298 0 40 DDAB COc1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)c(C(N)=O)c1 51970507 CPMVPVHYONZLQG-VXGBXAGGSA-N 320.389 1.962 0 40 DDAB CCc1ccc(-n2nc(CO)c(C(=O)NC3CCCC3)n2)cc1 21173096 NCDLNXZLGUVPPB-UHFFFAOYSA-N 314.389 1.994 0 40 DDAB CC(C)N1C[C@H](C(=O)NC[C@@H](c2ccco2)N(C)C)CC1=O 32826403 XFNRIQGVWICCHQ-OLZOCXBDSA-N 307.394 1.255 0 40 DDAB COC(=O)CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 32904298 MPZDIACRYIVSQA-UHFFFAOYSA-N 306.362 1.916 0 40 DDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCCO1 21973305 ZCJFZHHDCJJMCC-NSHDSACASA-N 311.765 1.949 0 40 DDAB Cc1ccc(C2=NN(C(N)=S)[C@](O)(C(F)(F)F)C2)cc1 192786 GCAIZWWIHDNAQG-LLVKDONJSA-N 303.309 1.899 0 40 DDAB C[C@H](O)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97081960 QJZPSLWRDWHLRH-JOYOIKCWSA-N 303.280 1.986 0 40 DDAB C[C@H](Nc1ncnc2[nH]cnc12)c1ccc2c(c1)NC(=O)CO2 47511293 YMBZZMMOIBXXSX-QMMMGPOBSA-N 310.317 1.857 0 40 DDAB CCOc1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc1 3403217 IVRJIWMICFXJIM-UHFFFAOYSA-N 308.334 1.476 0 40 DDAB COCc1nnc(NC(=O)c2cnc3sccn3c2=O)s1 61720855 YJQVPERRWGHQEV-UHFFFAOYSA-N 323.359 1.006 0 40 DDAB CCOC(=O)[C@@H]1[C@H](C)[C@H](C(=O)OCC)N(C(=O)OCC)[C@@H]1C 4804191 CORUWIWKNKXWHI-IRCOFANPSA-N 315.366 1.594 0 40 DDAB COC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)[nH]1 7605155 BPOQZNNJMPUYJX-UHFFFAOYSA-N 306.347 1.695 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)n1 54661744 RLSBVNFYDSKNQC-CHWSQXEVSA-N 320.393 1.341 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN([C@H]2CCC[C@H]2O)CC1 72269373 LEYQFISBZDGZIP-UONOGXRCSA-N 318.373 1.087 0 40 DDAB O=C(C1CCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164832 KVNVFMOQVLTJOI-UHFFFAOYSA-N 322.430 1.461 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccs1)C2=O 8342650 ZMKAPKNOZUAWPI-UHFFFAOYSA-N 307.375 1.894 0 40 DDAB COCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 57412013 BLAWVJHKAFAKFR-ZDUSSCGKSA-N 320.393 1.397 0 40 DDAB O=C1NC2=C(C(=O)N(Cc3cccnc3)C2)[C@H](c2ccccc2)N1 57531471 BHVZPIJVSJYPIT-INIZCTEOSA-N 320.352 1.732 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccccc2Br)CCN1 88059622 LRBLPIJGUJBGFE-VIFPVBQESA-N 319.224 1.432 0 40 DDAB COc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OC)n1 59417364 VMHXYRYYIJRMBN-UHFFFAOYSA-N 321.358 1.518 0 40 DDAB CC(C)Oc1ccc(C(=O)N[C@@H](C)CN2CCOCC2)cn1 44943474 RGLZKHDICPLOHO-ZDUSSCGKSA-N 307.394 1.319 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F 57355002 YAZKAUWCWKQGSZ-CZUORRHYSA-N 320.364 1.594 0 40 DDAB NS(=O)(=O)c1ccc(CNc2ncnc3sccc23)cc1 3351961 LIWWPIXODQVDQC-UHFFFAOYSA-N 320.399 1.951 0 40 DDAB Cc1noc(C)c1CN1CC[C@H](N2CCOCC2)C[C@H]1C(=O)O 107820860 QDRVHOXUNOEZEE-ZFWWWQNUSA-N 323.393 1.041 0 40 DDAB COc1ccc(C(=O)NCCn2nc(C)cc2C)c(OC)c1 28573890 ZBFFDGWPRYZNSJ-UHFFFAOYSA-N 303.362 1.947 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269099 RHDAWVHRYNVVRO-LSDHHAIUSA-N 310.344 1.636 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 3415143 CDSKDAMRXCGYPQ-SNVBAGLBSA-N 315.329 1.995 0 40 DDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)no1 72232153 MDLPGIVTULPKOV-RYUDHWBXSA-N 318.381 1.752 0 40 DDAB O=C1[C@@H]2CSCN2C(=O)CN1CCc1ccc(Cl)cc1 4082326 ZJNHSQMLARNIRT-LBPRGKRZSA-N 310.806 1.626 0 40 DDAB biogenic O=C(CCNC(=O)NC[C@H]1CCCO1)NCc1ccccc1 65585511 DEGGTUJOQYQOLG-CQSZACIVSA-N 305.378 1.171 0 40 DDAB COc1ncccc1CNC(=O)C(=O)N(C)c1cccc(C)c1 66208436 HLWBRMQKHQBGMA-UHFFFAOYSA-N 313.357 1.678 0 40 DDAB Cc1ncc(Cl)c(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 72300461 YRQATAMZYJIQSM-GWCFXTLKSA-N 324.812 1.231 0 40 DDAB CCCN(CCC)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940574 CKSBYBQTHNYSHY-UHFFFAOYSA-N 324.402 1.480 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 71796820 QASDDNLOWPXFSV-SMDDNHRTSA-N 302.378 1.095 0 40 DDAB COC[C@@H]1CN(C(=O)N[C@H]2CCc3ccc(F)cc32)CCO1 96439984 RUBUEAZVUCCACI-ZFWWWQNUSA-N 308.353 1.870 0 40 DDAB CCOC(=O)CSCC(=O)Nc1sccc1C(N)=O 7506409 GSILFPSZICDIQA-UHFFFAOYSA-N 302.377 1.082 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nn2)C1 71825629 ALJINRWWAQFFJI-CQSZACIVSA-N 300.362 1.908 0 40 DDAB Cc1cccn2cc(CN3CCO[C@@H](Cn4cccn4)C3)nc12 69392214 KCSKOZYONGOFRC-MRXNPFEDSA-N 311.389 1.740 0 40 DDAB CCOc1nnc(CN2CCO[C@@H](Cn3cccn3)C2)s1 69419305 YDGANGNNLOQOPK-LLVKDONJSA-N 309.395 1.034 0 40 DDAB CC(C)n1c(SCC(=O)NCc2ccco2)nnc1N(C)C 69528050 AVWZTWOZNVPBMD-UHFFFAOYSA-N 323.422 1.927 0 40 DDAB CCc1nnc2n1CCN([C@H](C(N)=O)c1ccc(F)cc1)C2 69583045 KEKRASWCZACBGI-AWEZNQCLSA-N 303.341 1.022 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCCCc1nc2c(s1)CCCC2 69774482 MSUMIKLSHRDLIX-SECBINFHSA-N 310.423 1.128 0 40 DDAB COc1nc(N(C)C[C@H]2CCOC2)nc(N2CCCCCC2)n1 84488518 WJSLLDHHTFULIG-CYBMUJFWSA-N 321.425 1.733 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1ccn(-c3ccccc3)n1)CC2 69969163 CGMMFOHYKHXLNK-OAHLLOKOSA-N 308.389 1.877 0 40 DDAB CC(C)[C@@H](Oc1ccc(Br)cc1)C(=O)NCCO 97464345 XCBUPFXEZVTQLP-GFCCVEGCSA-N 316.195 1.961 0 40 DDAB CC(C)(CO)N1CCN(S(=O)(=O)CC2CCCCC2)CC1 95461924 XFZWSSOIRTYZRY-UHFFFAOYSA-N 318.483 1.285 0 40 DDAB COc1cc(Br)cc(C)c1NC(=O)CNC(C)=O 87160647 VWLSTENYJKNYIU-UHFFFAOYSA-N 315.167 1.841 0 40 DDAB CN(CC(=O)NCC1CCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 84091127 IMJKYEQUIRBMDG-KGLIPLIRSA-N 316.467 1.190 0 40 DDAB CSC[C@H](CCO)NC(=O)c1cc(Br)c[nH]1 95976873 PPCBUQNVRGWYCZ-QMMMGPOBSA-N 307.213 1.621 0 40 DDAB CC(C)(O)CNC(=O)NCc1nccn1Cc1ccccc1 74818277 NIRKYKOVRFYFEE-UHFFFAOYSA-N 302.378 1.502 0 40 DDAB C[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C[C@@H]1O 89405542 MXBBKAYIIRYEHA-YGRLFVJLSA-N 321.352 1.198 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@@H]1C[C@@H]1c1cccc(F)c1 89774966 HWUJTGUSUBLNKB-ARFHVFGLSA-N 307.365 1.833 0 40 DDAB Cn1cc(N2CCN(C(=O)NC[C@H]3CC=CCC3)CC2=O)cn1 89755872 DPBKBYMJELGRFZ-ZDUSSCGKSA-N 317.393 1.135 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2N(C)C[C@H]1C 89941188 CDSWOBHVXMTPLO-DYVFJYSZSA-N 315.417 1.864 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](c1ccco1)N(C)C 89904384 WBZFJWXXWJKPSZ-CHWSQXEVSA-N 305.382 1.467 0 40 DDAB C[C@H]1CN(Cc2nnnn2C2CC2)CCN1c1nccs1 89939454 DAKCZXXVFJQRGE-JTQLQIEISA-N 305.411 1.175 0 40 DDAB C[C@H]1CC(C)(C)C[C@](CO)(NCCCS(=O)(=O)N(C)C)C1 89920173 QMUSPZADJJQRRG-DZGCQCFKSA-N 320.499 1.435 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccco1)N(C)C 89904381 WBZFJWXXWJKPSZ-STQMWFEESA-N 305.382 1.467 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(O)c1)C2 306137620 RBMOWZNAEHURLB-ZDUSSCGKSA-N 304.390 1.575 0 40 DDAB CCOC(=O)c1c(O)[nH]c2nc(-c3ccccc3)ncc2c1=O 66323286 JRXRYRBBSMBEAE-UHFFFAOYSA-N 311.297 1.867 0 40 DDAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(O)c(C(=O)O)c1 72324784 SOFIEVDVPMPHGF-UHFFFAOYSA-N 315.281 1.970 0 40 DDAB biogenic O=C(CCc1nc2ccccc2[nH]c1=O)NCC1CCOCC1 72403651 HPUJVFBVIFCJIQ-UHFFFAOYSA-N 315.373 1.399 0 40 DDAB CCOC(=O)NCCNC(=O)N1CCN(c2ccccc2)CC1 78602588 IEJGZFCXBULIRQ-UHFFFAOYSA-N 320.393 1.264 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1ccc(C)cc1 72880805 NIBZAXJODBYPTH-CYBMUJFWSA-N 312.435 1.844 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1C1CCCCCC1 46088750 WBATZUGDELJQBQ-UHFFFAOYSA-N 316.405 1.992 0 40 DDAB CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225701451 SINVIXJLIOXOSF-UHFFFAOYSA-N 300.405 1.942 0 40 DDAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)O)C3)ncn2)n1 40351603 RKQFFSUPYNNWRQ-GFCCVEGCSA-N 301.350 1.580 0 40 DDAB Cc1ocnc1C(=O)N1CCCN(Cc2cscn2)CC1 69742493 XPASDWDYPFBOMM-UHFFFAOYSA-N 306.391 1.788 0 40 DDAB Cc1occc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 226481090 FOVQMZQHADEOLQ-WFFHOREQSA-N 300.314 1.430 0 40 DDAB COC(=O)C1(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 193654092 QPIREADSNMUCNM-JSGCOSHPSA-N 304.390 1.747 0 40 DDAB CC(C)CC[C@]1(C2CC2)NC(=O)N(CCS(C)(=O)=O)C1=O 225446361 BKKDXAPLROBLJN-CQSZACIVSA-N 316.423 1.168 0 40 DDAB NC[C@H]1CCN(Cc2ccc(Br)cc2)S1(=O)=O 222538614 VXTQNKVQTQQBRN-LLVKDONJSA-N 319.224 1.312 0 40 DDAB Cc1ccc(OCC(=O)N2CC[C@@H](Oc3cccnn3)C2)cc1 225411221 DPRMYCRHRLXEHN-OAHLLOKOSA-N 313.357 1.844 0 40 DDAB CC(C)C(=O)NCCN(C)[C@H]1CCc2ccccc2NC1=O 192141858 GFOQCHJUZJAYFX-HNNXBMFYSA-N 303.406 1.644 0 40 DDAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](C(F)(F)F)C[C@H]2O 85399286 YXGBVZKPZJQNID-LHLIQPBNSA-N 305.252 1.710 0 40 DDAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCCOC 222748010 RNORCHGQRQKGFJ-AWEZNQCLSA-N 306.406 1.966 0 40 DDAB Cc1ccc(CN2CCCn3c(nc(CN(C)C)cc3=O)C2)o1 96059564 CKGDKHOWDYDFNI-UHFFFAOYSA-N 316.405 1.612 0 40 DDAB O=C1C[C@H](c2cccnc2)C2(CCN(c3ncccn3)CC2)N1 96199712 ZOAZLIAPOLLDQS-CQSZACIVSA-N 309.373 1.514 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 96246129 ONQXSEBPCILPHD-XHSDSOJGSA-N 315.417 1.655 0 40 DDAB Cn1c(N)nnc1SCC(=O)NC1(c2ccccc2)CCC1 96428839 OFTQHFPLVHERKF-UHFFFAOYSA-N 317.418 1.685 0 40 DDAB C[C@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)N1CCCCCC1 97380081 LWYLFEIXHOJLIQ-DOMZBBRYSA-N 321.396 1.733 0 40 DDAB CN1CCC[C@H](NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 96426437 MCQMLACKILBOKH-HNNXBMFYSA-N 316.380 1.764 0 40 DDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3nccs3)C2)n1 96064920 UGXDLHAXMFEFOV-IJLUTSLNSA-N 306.391 1.982 0 40 DDAB COCCNC(=O)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 96038855 YSIHEZZGRZLJRS-RRFJBIMHSA-N 324.446 1.348 0 40 DDAB O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccoc3)CC[C@@H]21)C1CC1 96057586 NEMZYYHUOMGSAH-JYJNAYRXSA-N 304.390 1.643 0 40 DDAB C[C@H](O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 96494409 RHUIAXMFJYZXLZ-GXSJLCMTSA-N 313.195 1.525 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccccc1Cl 98211240 PMTZYGZMUCYWAU-UHFFFAOYSA-N 320.780 1.351 0 40 DDAB CCc1nc(Cl)c(C)c(NC2CCN(CC(N)=O)CC2)n1 96449385 SAAZYPUQFKOXIK-UHFFFAOYSA-N 311.817 1.362 0 40 DDAB C[C@@](Br)(C(=O)c1ccc(N)cc1)S(C)(=O)=O 96518590 ZWTFWNAVMKQMEZ-JTQLQIEISA-N 306.181 1.607 0 40 DDAB COCCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 96422418 RHQCXWICRUKHFX-OAHLLOKOSA-N 305.422 1.350 0 40 DDAB O=C(c1ccncc1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 96183311 BKQPFYFTFPSZAH-JKSUJKDBSA-N 301.390 1.407 0 40 DDAB c1cnn(C[C@@H]2CC[C@@]3(COCCN(Cc4ccoc4)C3)O2)c1 96063376 HUXVHDNTFZBDAA-DLBZAZTESA-N 317.389 1.926 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 244536479 ZWCKHRWPZWCWTR-SNVBAGLBSA-N 302.371 1.506 0 40 DDAB COC(=O)[C@@H]1C(=O)[C@H](C(=O)CC[C@H]2CCCO2)C(=O)CC1(C)C 247865039 XGEULGNSRGWTSS-HONMWMINSA-N 324.373 1.488 0 40 DDAB biogenic COC[C@H]1CN(C(=O)c2cccnc2OC)Cc2cncn21 247909321 XXTIGMCYIWNINK-GFCCVEGCSA-N 302.334 1.130 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccccc2F)n1 257274673 NMBMRBPQPAKTCC-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257201619 AIILJOUJKYBCEA-LLVKDONJSA-N 321.406 1.081 0 40 DDAB CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1 257231140 GFKYLDKBYXXZAL-BZUAXINKSA-N 324.446 1.295 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)C2CCNCC2)C1 257218075 DBUFVKXNMFXMMY-CYBMUJFWSA-N 317.437 1.299 0 40 DDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc(F)c1 250128075 YULRTCJYJAVAKG-ZFWWWQNUSA-N 320.364 1.695 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ccncn3)CCO2)ncn1 257205604 AZUYIIMEBDRRQW-CQSZACIVSA-N 313.361 1.049 0 40 DDAB CC(C)n1nccc1C(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257219168 DFVVVMFSKBCJQR-UMVBOHGHSA-N 306.410 1.182 0 40 DDAB O=C(NCCCO)C1CCN(C(=O)c2ccccc2Cl)CC1 269163006 PAIGHDGFAGDZHR-UHFFFAOYSA-N 324.808 1.691 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 575403318 HDIAQWRUSMUDAO-XOBFJNJYSA-N 318.373 1.139 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccnc(C)c2)C1 585277138 KKUMQIBMMDGMMY-KRWDZBQOSA-N 319.405 1.537 0 40 DDAB Cc1cncc(=O)n1Cc1ccc(OCC(F)(F)F)nn1 585091234 SJEAJYHBPFFBCI-UHFFFAOYSA-N 300.240 1.331 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 503776481 LLCBVTODLKFHEK-QWRGUYRKSA-N 301.375 1.142 0 40 DDAB CO[C@H]1CN(Cc2ncccc2C)C[C@@H]1CC(=O)N1CCCC1 585276815 QSHREZMMNAVIHB-RDJZCZTQSA-N 317.433 1.849 0 40 DDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)/C=C/c2ccccc2)C1 585277506 MOPMGXKHTCAOIW-GFOMBABLSA-N 316.401 1.580 0 40 DDAB CCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 32827184 HURLCWMKTGIOHY-UHFFFAOYSA-N 300.380 1.594 0 40 DDAB CCc1ccsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269181 AWRBUXIKNCDWBC-UONOGXRCSA-N 308.447 1.982 0 40 DDAB CC(C)Nc1ncccc1C(=O)N1CCC[C@@H](n2cncn2)C1 72293119 AIEXWRNXHVMAJI-CYBMUJFWSA-N 314.393 1.971 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@H](c1ccsc1)N(C)C 58231685 KHCFDUSRMWUHMF-CYBMUJFWSA-N 319.496 1.917 0 40 DDAB CNS(=O)(=O)CC(=O)N1C[C@H](c2ccsc2)C[C@H]1C 83612811 IKMCOQWXLSDLSD-MWLCHTKSSA-N 302.421 1.002 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)CCNC(=O)c2ccco2)C12CCC2 89985669 UPWSMUYLYCSDGL-KGLIPLIRSA-N 320.389 1.863 0 40 DDAB CC[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCCC1 42500047 AWEWAIGFZGMKCI-AWEZNQCLSA-N 313.405 1.872 0 40 DDAB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 5051015 UPAAXCOGBXELPE-CZPYZCIJSA-N 303.289 1.021 0 40 DDAB CC(=O)Nc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 11923789 CCPAIAVFQLQPNO-UHFFFAOYSA-N 308.363 1.488 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H]1Cn1c(=O)oc2ccccc21 12084767 AFXJZQOBPVLFJZ-LLVKDONJSA-N 310.375 1.409 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)COc1ncnc2ccccc12 12196149 YVEINEVIXIKZAT-UHFFFAOYSA-N 311.345 1.665 0 40 DDAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(C)on2)cc1 13006299 RHKRMFSKHJOWSP-UHFFFAOYSA-N 303.318 1.702 0 40 DDAB Cc1cc2nc([C@@H]3CCN(C(=O)c4ccccn4)C3)cc(O)n2n1 13226859 WKXHDNQGIGPHNU-GFCCVEGCSA-N 323.356 1.768 0 40 DDAB CCc1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1 8083810 LFQXHQGKXQFTSW-LCYFTJDESA-N 318.398 1.822 0 40 DDAB COc1nn(C)cc1C(=O)N1CCn2nc(C3CC3)cc2C1 390829788 GQBIKKKSDXNGQB-UHFFFAOYSA-N 301.350 1.159 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 239808101 KHNPDFRILYTAOZ-CYBMUJFWSA-N 321.402 1.494 0 40 DDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(C2CCOCC2)C1 1565520315 NGJIOYHGMKXOEU-OAHLLOKOSA-N 306.381 1.738 0 40 DDAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCO2 10255866 PFDKHBSJFALDIP-CQSZACIVSA-N 324.336 1.733 0 40 DDAB CC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746111 LZVUTNMSYFUCOD-UHFFFAOYSA-N 308.407 1.215 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21 2055716040 SZTRNCISZRPOPQ-USXIJHARSA-N 317.433 1.628 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)o1 31548024 RPODUXXDCWFBIJ-UHFFFAOYSA-N 322.342 1.643 0 40 DDAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)[C@H]1CCOC1 575612300 LIYUGASPOQVCEJ-KBXCAEBGSA-N 319.401 1.454 0 40 DDAB O=C(Cc1ccsc1)NC[C@H]1CCCN1c1ncccn1 606440624 JAOPJFDEYWAUND-CYBMUJFWSA-N 302.403 1.866 0 40 DDAB COc1ccc2cc(C(=O)NC[C@@H](C)N3CCOCC3)[nH]c2c1 31370293 AQABTNOAYFTVPI-GFCCVEGCSA-N 317.389 1.627 0 40 DDAB COC[C@H](C)NC(=O)CCCn1cnc2ccccc2c1=O 40480747 AKLODFKYFHWEMX-LBPRGKRZSA-N 303.362 1.328 0 40 DDAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCOCC1 100698574 KZACKMNUBBKNTK-STQMWFEESA-N 312.797 1.226 0 40 DDAB CCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)o1 40511119 XDJOEVSZUGOHOJ-UHFFFAOYSA-N 322.386 1.680 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 32267749 KCGVSDOJJZSJRK-AWEZNQCLSA-N 320.389 1.502 0 40 DDAB CC(C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 41224320 QBYSKPSYJMXKCE-NSHDSACASA-N 316.448 1.673 0 40 DDAB C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N1CCc2ccccc21 33058259 LCRZPGXSAYXECV-OCCSQVGLSA-N 301.390 1.032 0 40 DDAB COC(=O)[C@@H](C)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22039403 DEMFGFNRDFUPMB-ZDUSSCGKSA-N 320.389 1.342 0 40 DDAB CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1cccc(F)c1 41626344 DWCYEKWAAUBUJA-UHFFFAOYSA-N 307.369 1.978 0 40 DDAB COc1ccc(F)cc1CN1CCC(N2CCNC2=O)CC1 53282669 QCDPSSGGPNZYKV-UHFFFAOYSA-N 307.369 1.824 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccsc2)CC1 53507260 WLTHZWBSMWYICG-AWEZNQCLSA-N 309.435 1.754 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCNC(=O)c1ccccn1 22501376 JFLDNKPQSGRQPU-UHFFFAOYSA-N 308.341 1.530 0 40 DDAB CN(C(C)(C)C(=O)O)S(=O)(=O)c1ccc(F)cc1Cl 61151870 NMRCTLZUOWCVLQ-UHFFFAOYSA-N 309.746 1.963 0 40 DDAB Cc1csc2ncc(C(=O)NCc3ccncc3)c(=O)n12 72405093 KDTWGKQGNDOEMZ-UHFFFAOYSA-N 300.343 1.389 0 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CCOc1ncccc1CNC(=O)N[C@H](C)Cn1cccn1 44954360 UHBLMXDNWXGWJH-GFCCVEGCSA-N 303.366 1.565 0 40 DDAB O=C(NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 58406141 NMEYJGWYPYNWSE-LSDHHAIUSA-N 302.374 1.586 0 40 DDAB O=C(O)CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 2298928 BDEVLSXGLJXRMU-UKTHLTGXSA-N 314.297 1.251 0 40 DDAB COC(=O)c1cc(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc(C)c1C 97371438 KVCCYOAQVBJJGQ-SFYZADRCSA-N 370.427 1.025 0 40 DDAB CCC(C)(C)C1CCC(NC=C2C(=O)NC(=S)NC2=O)CC1 23584526 CAAVHUKJJDXLHD-UHFFFAOYSA-N 323.462 1.986 0 40 DDAB COc1ccc(CN(C)C(=O)CN2CCOC[C@@H]2C)cc1F 46774837 PMYPIMZOUUBDHQ-LBPRGKRZSA-N 310.369 1.513 0 40 DDAB O=C(COC(=O)CNC(=O)c1ccccc1)NC1CCCCC1 3508513 VIXAYILJPCGTSD-UHFFFAOYSA-N 318.373 1.409 0 40 DDAB O=C1NC(=O)[C@@H](CCC(=O)OCc2nc3ccccc3s2)N1 12985830 PFZXKCNFNHTXLR-SECBINFHSA-N 319.342 1.328 0 40 DDAB C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(O)cc1 63927575 BZAVACDXVIMGAQ-LBPRGKRZSA-N 311.403 1.957 0 40 DDAB CCCCN1CCc2ccc(NC(=O)c3n[nH]c(O)n3)cc21 84744486 YXTFPWIOKITSFE-UHFFFAOYSA-N 301.350 1.925 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1[nH]c(C)c(C(=O)OC)c1C 14162652 KVZCHAFGCSRIRU-JTQLQIEISA-N 309.366 1.063 0 40 DDAB c1ccc(COC2CCN(c3cncc4nnnn34)CC2)cc1 65609332 HXFLKRUDMXKWSK-UHFFFAOYSA-N 310.361 1.705 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)C1=NNC(=O)CC1 65624725 KUXQZNUFJBJMQL-UHFFFAOYSA-N 303.318 1.030 0 40 DDAB COC(=O)C1CCN([C@H](C)C(=O)Nc2ccccc2OC)CC1 9450135 XBTKTNIXWZJING-GFCCVEGCSA-N 320.389 1.907 0 40 DDAB COCCCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 6755281 YYHBCRZLISDDRG-UHFFFAOYSA-N 302.309 1.758 0 40 DDAB COC[C@@H](C)NC(=O)CSc1ncn(-c2ccccc2)n1 4999191 CGHLNCSHOIGWHW-LLVKDONJSA-N 306.391 1.511 0 40 DDAB CC(C)[C@@H](NC(=O)Nc1ccccc1N1CCCC1)C(N)=O 95467030 QSONDFKAAINSCN-CQSZACIVSA-N 304.394 1.918 0 40 DDAB CCN1CCN(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CC1 95413648 LDYOAEPMYZSSCH-DOTOQJQBSA-N 319.449 1.888 0 40 DDAB COc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)cc2c1OCCO2 7671895 DDAMCXUHXFEINV-JTQLQIEISA-N 323.345 1.536 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(C)=O 7667854 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1.895 0 40 DDAB COCCc1noc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)n1 69948845 WQKRKQXQYYGBOM-KBPBESRZSA-N 322.409 1.234 0 40 DDAB COC(C)(C)CNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 95447308 AZKHAHOKPUSVMX-JTQLQIEISA-N 311.348 1.689 0 40 DDAB O=C(CN(CCO)Cc1ccccc1)NCCc1cccs1 70927758 UQIWTMUAWXWEEP-UHFFFAOYSA-N 318.442 1.901 0 40 DDAB CCCCOc1ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1 71921334 ZDBCWKFXHZUSPI-RISCZKNCSA-N 309.362 1.518 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)NC[C@@H]1CN(C)CCN1C 87102671 WXYITIWOCNGKEU-MRXNPFEDSA-N 322.428 1.222 0 40 DDAB Nc1cc2c(nn1)CCN(C(=O)COCCc1ccccc1)C2 72279494 JTRRWSFGGHNWQO-UHFFFAOYSA-N 312.373 1.203 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1 72299177 QBJZVWGEHUTOMC-ZDUSSCGKSA-N 317.393 1.889 0 40 DDAB O=C(Cc1cccc(O)c1)NC[C@@H](O)Cc1ccc(F)cc1F 97136778 YAJBKXWMRWMUHN-HNNXBMFYSA-N 321.323 1.933 0 40 DDAB Cc1n[nH]cc1CNC[C@@H](O)CN1CCc2ccccc2C1 97159396 RQKSNBFYCZDCOM-QGZVFWFLSA-N 300.406 1.227 0 40 DDAB COc1c(CN2CCC[C@@H](Cc3nccn3C)C2)c(C)nn1C 97139264 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CN(C)C(=O)c1cncc(-c2ccc(OC[C@H](O)CN)cc2)c1 530250929 RPXZQPQJJJXCBO-OAHLLOKOSA-N 315.373 1.149 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2nccs2)[C@@H](C(=O)O)C1 72203309 XRRUPNGLQUZZBC-SECBINFHSA-N 313.379 1.653 0 40 DDAB OCCN1CCC[C@H](c2nccnc2Nc2cnccn2)C1 72361646 PBJDAKVYDWYGNZ-LBPRGKRZSA-N 300.366 1.182 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2C2CC2)C1 555709546 GZXQVXPFUZMQEB-FVCCEPFGSA-N 300.424 1.440 0 40 DDAB CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O 37406008 IIGHSDKFBXXTLM-JTQLQIEISA-N 307.318 1.742 0 40 DDAB CC1(C)[C@@H](C(=O)NCc2nc(-c3cccnc3)no2)[C@H]1C(=O)O 72401727 FNOAIABCVNCUHA-MNOVXSKESA-N 316.317 1.105 0 40 DDAB Cc1cc(C)nc(N2CCO[C@H](c3ccc(C(N)=O)cn3)C2)n1 72388039 NLVXJNQWJBRRLM-AWEZNQCLSA-N 313.361 1.165 0 40 DDAB O=C(NCc1ccccn1)c1cn(C[C@H](O)c2ccccc2)nn1 75164014 DNCAJGDYWUHOOM-INIZCTEOSA-N 323.356 1.337 0 40 DDAB CCn1nc(C)c(CN[C@H]2CCCc3c2cnn3CCO)c1C 78552353 TYVUOXSECHEZRL-INIZCTEOSA-N 317.437 1.876 0 40 DDAB CCC[C@@]1(C)C(=O)NCCN1Cc1csc(NC(C)=O)n1 187310892 RTWFOEITSLGVQU-AWEZNQCLSA-N 310.423 1.592 0 40 DDAB CCCS(=O)(=O)NCCc1csc(N2CCCC2)n1 49717833 ZIUXGSQVPYZFEJ-UHFFFAOYSA-N 303.453 1.615 0 40 DDAB c1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 292522549 VEVZBHZNKFKLPQ-UHFFFAOYSA-N 321.388 1.883 0 40 DDAB Cc1nccn1C[C@H]1CCCN1c1cc(=O)n2ccccc2n1 225597089 LGGSZEMWGVGZMS-CQSZACIVSA-N 309.373 1.868 0 40 DDAB CN1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 41001860 VICVGZQSZKBMJK-UHFFFAOYSA-N 300.362 1.443 0 40 DDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(n2ccnn2)C1 225694326 ZXLNOWZTCRMIQA-UHFFFAOYSA-N 312.782 1.486 0 40 DDAB CN(Cc1ncccn1)[C@@H]1CCN(c2ccccc2F)C1=O 192023130 PIAHIEYSUZETOP-CQSZACIVSA-N 300.337 1.853 0 40 DDAB CN(C)C(=O)N1CC[C@H](N(Cc2ccccc2)C(=O)N(C)C)C1 190191591 IGLYMIQCPLXLTQ-HNNXBMFYSA-N 318.421 1.926 0 40 DDAB CCCc1nnc(NC(=O)N2CCC[C@H](n3ccnn3)C2)s1 574448245 URHSXJSNGJDCRH-JTQLQIEISA-N 321.410 1.951 0 40 DDAB COCc1nn(C(C)C)c2c1CCN(Cc1cnn(C)c1)C2 96058980 BYGGZXGMONGIHH-UHFFFAOYSA-N 303.410 1.902 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3cccs3)CCO2)C1 96049756 BJPHSNHGFWCFGX-INIZCTEOSA-N 324.446 1.700 0 40 DDAB CN(C)CC1(CNC(=O)N[C@@H]2CC[C@@H](N(C)C)C2)CCCC1 96502968 DNUKBEMFYGJNAG-HUUCEWRRSA-N 310.486 1.890 0 40 DDAB CC(=O)N1CCOC[C@]2(CCCN(Cc3csc(C)n3)C2)C1 96229343 HKYHQMLUVSPXSG-INIZCTEOSA-N 323.462 1.912 0 40 DDAB Cc1ccc(N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)nn1 96065394 GPVWEFNQKBOFRR-YCPHGPKFSA-N 306.410 1.099 0 40 DDAB CCN(CC)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@@H]21 96040586 RGRCHZXORQNLSA-CFVMTHIKSA-N 308.401 1.941 0 40 DDAB CCO[C@H]1C[C@@H](N(C)CC(=O)N2CCOCC2)C12CCCC2 96419682 NLJKOKMUNUNNAJ-CABCVRRESA-N 310.438 1.515 0 40 DDAB O=C(N[C@H]1COc2ccccc2C1=O)c1[nH]nc2c1CCCC2 96492986 CVIZBSNPUYFZTO-ZDUSSCGKSA-N 311.341 1.662 0 40 DDAB COC[C@@H]1C[C@H]2OCCN(C(=O)NCc3cccnc3)[C@@H]2C1 96250383 JOKXRLYJOLXPMO-RRFJBIMHSA-N 305.378 1.417 0 40 DDAB CN(C)[C@@H]1CN(C(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]12 96185775 IRGNXJWUVJWBKE-OAGGEKHMSA-N 303.406 1.690 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cncc(C)c1)[C@@H]2C 96111093 UHEKZASBLYIGGY-GFCCVEGCSA-N 300.362 1.950 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@H]2NC(=O)c2ccn(C)c2)CC1 96051738 SODOTPMNNWWXQM-CQSZACIVSA-N 318.421 1.681 0 40 DDAB O=C1CCCN1CC[C@H]1CCOC12CN(Cc1ccncc1)C2 248010991 VOZHRRUZNSAFDU-INIZCTEOSA-N 315.417 1.685 0 40 DDAB CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1 247941384 ACAYDEMXNRJPKB-BZSNNMDCSA-N 319.449 1.639 0 40 DDAB Cc1cc(N(C)C2CC3(CCN(Cc4ncc[nH]4)C3)C2)ncn1 257290167 QBVWWSJDXSADDT-UHFFFAOYSA-N 312.421 1.999 0 40 DDAB O=C(c1ccsc1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257315915 VDGKSNXMZDICDT-NSHDSACASA-N 319.386 1.575 0 40 DDAB COC(=O)C1=C[C@H]2CN(Cc3ccccc3)CC[C@H]2NC1=O 253495330 TUJSMDKSPQSKRJ-DZGCQCFKSA-N 300.358 1.106 0 40 DDAB Cc1cnc(C[C@@H]2COCCN(c3cc(C)nc(N)n3)C2)cn1 257344764 ZYPBKMGWRXCHFJ-ZDUSSCGKSA-N 314.393 1.161 0 40 DDAB COc1ccc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1 269167631 QNRXAVBETGMUGO-UHFFFAOYSA-N 320.389 1.046 0 40 DDAB Cc1n[nH]c(=O)c(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c1C 293947900 RYXJLRVHANHZLR-JTQLQIEISA-N 313.357 1.810 0 40 DDAB c1cc(N2CCN(c3ccc4nncn4n3)CC2)nnc1C1CC1 575608172 MBXIBOBJCSOEBF-UHFFFAOYSA-N 322.376 1.118 0 40 DDAB CCCCC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 575404950 FYRIQTKKEAQFCF-AWEZNQCLSA-N 304.394 1.579 0 40 DDAB C[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn21 663126459 UWKYFWLBBYPAPV-SKDRFNHKSA-N 316.317 1.177 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@@H](c3nccs3)C2)CCC1=O 67047343 KICOUBXQMNQOOQ-LLVKDONJSA-N 320.418 1.847 0 40 DDAB Cc1noc(C)c1CC(=O)NCCS(=O)(=O)c1ccccc1 47422230 UJMDNBDZZOOUNB-UHFFFAOYSA-N 322.386 1.424 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 37436294 SMCHLATVDOUCBF-ZANVPECISA-N 309.749 1.967 0 40 DDAB in-vitro CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCO3)cn2)CC1 40541117 ILCNOPGGUCNYTD-HNNXBMFYSA-N 318.421 1.019 0 40 DDAB CC[C@@H](CC(=O)NCCCS(N)(=O)=O)c1ccc(C)cc1 76018419 HIKQUGHQXKFODH-ZDUSSCGKSA-N 312.435 1.674 0 40 DDAB Cc1cc(F)cc2[nH]c(C(=O)O[C@@H]3CCS(=O)(=O)C3)cc12 76016907 BZEWZBUPIDRXGJ-SNVBAGLBSA-N 311.334 1.959 0 40 DDAB O=C(N[C@H](C[C@H]1CC[C@H]2OCO[C@@H]2C1)C(=O)O)c1ccccc1 5048306 RPQQUIOGQVDXKA-NMFUWQPSSA-N 319.357 1.801 0 40 DDAB CCCCN(C)C(=O)CSc1nc(O)c(CCC)c(=O)[nH]1 13453659 ZNXXEDBRPYDYED-UHFFFAOYSA-N 313.423 1.779 0 40 DDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 1563055 XTBSKDXUPYJHPU-UELRPHRMSA-N 302.330 1.239 0 40 DDAB CC(C)NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 6032536 WAJWSOQSHHHACI-UHFFFAOYSA-N 321.373 1.847 0 40 DDAB O=C(CNC(=O)C1CCCCC1)Nn1cnc2ccccc21 8746529 DMGINQBMVFGMBN-UHFFFAOYSA-N 300.362 1.803 0 40 DDAB O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1C[C@H]1CCCO1 2086968306 ORZUBSLYAVSJKK-LLVKDONJSA-N 308.284 1.456 0 40 DDAB Cc1nc(C(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@@H]3C2)cs1 1565552185 WFDHPORKCKQWRS-CHWSQXEVSA-N 319.430 1.782 0 40 DDAB O=C(NCc1cccnc1)c1ccccc1C(=O)c1ncc[nH]1 32538 KBJRYRWHCROSEQ-UHFFFAOYSA-N 306.325 1.966 0 40 DDAB COc1cc2c(cc1OC)C(N[C@@H](C)C(=O)O)=NC(C)(C)C2 12364882 CMQWJGPWRZSAOO-VIFPVBQESA-N 306.362 1.848 0 40 DDAB O=C(c1ccccn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705905 NXIBOSIQVPWBCS-UHFFFAOYSA-N 321.384 1.916 0 40 DDAB NC(=O)c1cccc(CNC(=O)CCc2nc3ccccc3[nH]2)c1 29141574 VWXWTYHERCWTMK-UHFFFAOYSA-N 322.368 1.911 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 40527732 YOUVQGOFIKKATK-WDEREUQCSA-N 315.439 1.690 0 40 DDAB CC[C@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1 40514070 WZPPZBKBVTXFGX-ZDUSSCGKSA-N 316.361 1.702 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 20616072 KORGACXNSWBEIA-UHFFFAOYSA-N 311.244 1.972 0 40 DDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1Cl 32776902 FXPQKWJCFUQFFE-NSHDSACASA-N 318.782 1.829 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1Cl 102542788 MGURCIRDLGQAPO-WTTBSCSTSA-N 316.744 1.792 0 40 DDAB O=C(CN1CCC[C@@H]1c1nnc2ccccn12)N1CCCCC1 52686128 CCBDMUHZRWGMPX-CQSZACIVSA-N 313.405 1.879 0 40 DDAB CC(=O)Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 419424 HZMFHDVAWQPBDW-UHFFFAOYSA-N 322.328 1.873 0 40 DDAB CCOC(=O)C(NC(=O)c1ccc(Cl)cc1)C(=O)OCC 21992711 KTKBMOLVXVIHQA-UHFFFAOYSA-N 313.737 1.565 0 40 DDAB in-vitro CN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1 531941 HEKKIESHBHLKTQ-NSHDSACASA-N 306.391 1.492 0 40 DDAB aggregator O=C(CCN1C(=O)CCC1=O)NC1(c2ccccc2)CCC1 53473287 AHMWOBSNKVNVEY-UHFFFAOYSA-N 300.358 1.721 0 40 DDAB CCn1nnnc1SCC(=O)Nc1cc(C)ccc1OC 410540 ZTILEZIHOMYDSU-UHFFFAOYSA-N 307.379 1.741 0 40 DDAB O=C(CCNC(=O)[C@H]1COc2ccccc21)NCc1ccccc1 78680927 HMFUPBIOHJNWIJ-INIZCTEOSA-N 324.380 1.985 0 40 DDAB Cc1csc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)n1 61717875 KXWOUGBMRVFCEE-UHFFFAOYSA-N 318.402 1.916 0 40 DDAB COc1cccc(OC[C@H](O)CN2CCC(CCO)CC2)c1 2674970 XQGRTLOKWCSQKH-OAHLLOKOSA-N 309.406 1.529 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccn1 42379771 QCQSEVOULGISDG-OCCSQVGLSA-N 301.390 1.907 0 40 DDAB COC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1 3849529 GNPCSSKRAOAHCO-KFWWJZLASA-N 315.325 1.513 0 40 DDAB COCCn1nnnc1CN(Cc1ccco1)C[C@@H]1CCCO1 4230844 ATDGBQWDYCLQGA-AWEZNQCLSA-N 321.381 1.094 0 40 DDAB O=C(C[C@@H](NCCO)C(=O)O)Nc1ccc(Cl)c(Cl)c1 4280196 LHZMPYVQJWFRQT-SNVBAGLBSA-N 321.160 1.357 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)N1CCCCC1)c1ccco1 42669220 URHXZHOBSYBWCA-LBPRGKRZSA-N 301.412 1.203 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(Cl)cc1 101758834 OLHMEUBJVMFKGS-BJDJZHNGSA-N 320.732 1.147 0 40 DDAB O=C(Nc1ccc(F)cc1)C1=CC(=O)N2CCCN=C2S1 1423828 WKZZBFGFWCMOOH-UHFFFAOYSA-N 305.334 1.983 0 40 DDAB CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(C(C)=O)CC1 25377184 WWQLVQFDGFSLDE-CQSZACIVSA-N 322.409 1.644 0 40 DDAB O=C(NCCNC(=O)C1CC1)c1csc(-c2ccco2)n1 44011647 GWKTWHPOBKCFGL-UHFFFAOYSA-N 305.359 1.659 0 40 DDAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@@H](Cc2ccccc2)C1 108167424 OAEISYXGSBYHIV-YYIAUSFCSA-N 316.401 1.959 0 40 DDAB CC(C)OCc1ccc(C(=O)N2CCN(CCO)CC2)cc1 84621921 KHSFDVWXCBBISN-UHFFFAOYSA-N 306.406 1.362 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N[C@H]1CCCN(c2ncccn2)C1 84613417 ZCNCBZGYQBSGLT-KBPBESRZSA-N 319.409 1.314 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccn(C)c(=O)c1 44604993 NGPBPSOIWCKNCU-UHFFFAOYSA-N 320.370 1.350 0 40 DDAB Cc1cccc(OCCN(C)Cc2nc(N)nc(N(C)C)n2)c1 27374296 IUGKXMBJTSISRN-UHFFFAOYSA-N 316.409 1.339 0 40 DDAB COC(=O)c1ccc(CCNC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 27366702 XUBPOXBWTAAFRK-CHWSQXEVSA-N 320.389 1.835 0 40 DDAB CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C)CC1)C(=O)N2 101915956 ZYUGVKWGUPUUOO-UHFFFAOYSA-N 301.390 1.740 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NCCc1ccc2c(c1)OCO2 48170882 IZMODKJRTDNTKZ-LBPRGKRZSA-N 316.361 1.542 0 40 DDAB O=C(COCC1CC1)NCCNC(=O)c1ccccc1Cl 48287504 MOWLOYCDSMWILX-UHFFFAOYSA-N 310.781 1.613 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 48285689 SJAHOPOHVYMUBX-NSHDSACASA-N 310.361 1.711 0 40 DDAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1 44895209 HBIGFJCWWGEIQM-LSDHHAIUSA-N 314.389 1.988 0 40 DDAB CCN(CC)c1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cn1 58282820 RDKPXIDFJLSYGX-UHFFFAOYSA-N 320.437 1.915 0 40 DDAB O=c1oc(-c2ccccc2)nn1CN(C[C@H]1CCOC1)C1CC1 44979253 PFIZMOHMRGZKOF-CYBMUJFWSA-N 315.373 1.962 0 40 DDAB COCCOc1ccc(NC(=O)[C@@H]2CCCN2C(C)=O)cn1 44979733 UAPAADWEGHUAGB-ZDUSSCGKSA-N 307.350 1.056 0 40 DDAB COc1ccc(C(C)=O)cc1Cn1nnn(-c2ccccc2)c1=O 12793902 DAKUDFJMOVDWFH-UHFFFAOYSA-N 324.340 1.689 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N1CCc2ccccc2C1 36108170 UDIWVRHHDGOWCO-WFASDCNBSA-N 302.374 1.509 0 40 DDAB O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](O)C1 45026975 IHBSBQSKJCHWPC-QGZVFWFLSA-N 317.433 1.817 0 40 DDAB CN(Cc1ccccn1)C(=O)C1[C@H]2CC[C@H]1CN(CC(=O)O)C2 104951782 CDXGZTGLWDUDAY-STQMWFEESA-N 317.389 1.083 0 40 DDAB Cc1ncc(CN2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)cn1 108536186 ZNIVHRUYFIWMGG-DOTOQJQBSA-N 302.422 1.865 0 40 DDAB CCn1nccc1C(=O)N1CCN(c2ccccc2OC)CC1 27938741 KEGFYQIAXMAIIX-UHFFFAOYSA-N 314.389 1.874 0 40 DDAB CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccccc2)c1 10670137 RKUKVUBCSVDBMR-UHFFFAOYSA-N 301.346 1.944 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(F)c2)cc1 10706569 ASXSIROFSTYSMU-UHFFFAOYSA-N 322.361 1.544 0 40 DDAB CCN1CCN([C@@H]2CCN(CCC(=O)N3CCCCC3)C2)CC1 84789319 JUIWNTVVSMECSE-QGZVFWFLSA-N 322.497 1.101 0 40 DDAB CN1CCN(C[C@@H](CC(=O)Nc2ccccc2F)C(=O)O)CC1 71282530 JUJFGJVLGLXPTB-GFCCVEGCSA-N 323.368 1.103 0 40 DDAB C[C@H](C(=O)Nc1ccc(N(C)C)c(Cl)c1)S(C)(=O)=O 48940653 XZMSXHCPKYGFPZ-MRVPVSSYSA-N 304.799 1.778 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 13170339 PZALWLKEGHIWPD-SSDOTTSWSA-N 302.124 1.979 0 40 DDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc[nH]n1 49315612 YKZSTUYSELUHIP-UHFFFAOYSA-N 313.766 1.267 0 40 DDAB CC[C@@](C)(NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)O 95424533 BONUXYHUNUJNFM-OAHLLOKOSA-N 304.350 1.995 0 40 DDAB Cn1cnc2c(Nc3ccc(F)cc3)nc(NCCO)nc21 26533003 HNIPOHCHYJEPIZ-UHFFFAOYSA-N 302.313 1.650 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005309 JVANRHZJBBJSJZ-CYBMUJFWSA-N 316.467 1.886 0 40 DDAB COC[C@@H](O)CN(C)C(=O)N[C@@H]1CCSc2ccccc21 65440657 SABZFFWRBWZTCH-WCQYABFASA-N 310.419 1.872 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@H](c3nccs3)C2)on1 65593925 WHNNADLVAVUXHD-JTQLQIEISA-N 308.363 1.452 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)OC)c1C 14162649 KVZCHAFGCSRIRU-SNVBAGLBSA-N 309.366 1.063 0 40 DDAB CCC(C)(C)NC(=O)CN1CCC(OC[C@@H]2CCCO2)CC1 83414138 MLFDGKWIASXVAF-HNNXBMFYSA-N 312.454 1.951 0 40 DDAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1Cn1cccn1 20606341 AIOBZKASUSSCOZ-TZMCWYRMSA-N 319.386 1.728 0 40 DDAB O=C1CC[C@@H](C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)N1 96456436 MIZGRRMCUPBKSZ-CVEARBPZSA-N 316.401 1.515 0 40 DDAB COc1cc(CN2CC[C@H](NCc3cc[nH]n3)C2)cc(OC)c1 88755800 FXWJOTHMRCQAGA-HNNXBMFYSA-N 316.405 1.791 0 40 DDAB CC(=O)Nc1ccc(CC(=O)O[C@H](C)C(=O)NC2CC2)cc1 7512510 ZPNIJWCAUWHNJD-SNVBAGLBSA-N 304.346 1.398 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71866001 NCKDFDLPTUEFEI-ZDUSSCGKSA-N 313.423 1.007 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1 71837438 WIFSYTSZNMBRKM-AWEZNQCLSA-N 310.442 1.014 0 40 DDAB C[C@@H]1CN(C2CCN(c3ncnc4c3cnn4C)CC2)CCO1 71821711 SLDIQQLOKDWIRN-GFCCVEGCSA-N 316.409 1.053 0 40 DDAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C)C2)c(Cl)c1 83877372 XTDUZKOABLJKCD-LLVKDONJSA-N 310.781 1.486 0 40 DDAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCC12CCC2 81785883 FBMPMUDUNBPYRF-UHFFFAOYSA-N 301.371 1.980 0 40 DDAB CCCCS(=O)(=O)N[C@@H]1CCC[C@H](C(=O)NC2CC2)C1 71909482 WULBQMZIEKBUHD-WCQYABFASA-N 302.440 1.543 0 40 DDAB Nc1nc(N)nc(CSc2nnc(C3CC3)n2C2CC2)n1 8395418 UAVUYPCWMGRTKR-UHFFFAOYSA-N 304.383 1.132 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@H](c2cnn(C)c2C)n2ncnc2N1 17053786 ACGIJAWQABWTMH-ZDUSSCGKSA-N 316.365 1.561 0 40 DDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccccc1 17056970 NJUFEXSHTDYTTI-UHFFFAOYSA-N 324.340 1.793 0 40 DDAB CC(C)Oc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1 8566896 RXEKXIJDWDQICQ-UHFFFAOYSA-N 320.374 1.683 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H]1COc2cc(OC)ccc2C1 69869312 VBMIEHPIVSAZQJ-PWSUYJOCSA-N 307.346 1.314 0 40 DDAB C[C@H](NC(=O)CS(=O)(=O)Cc1cscn1)c1ccccc1 69815016 BQTZCJNTRZVWAD-NSHDSACASA-N 324.427 1.935 0 40 DDAB C[C@@H]1CCN(CC(=O)Nc2nncs2)C[C@@H]1n1ccnc1 95981714 ANBDWCPULNXNDH-MNOVXSKESA-N 306.395 1.256 0 40 DDAB COCCC1(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 95979371 BUWBKUAJVJLCDJ-ZFWWWQNUSA-N 320.433 1.805 0 40 DDAB Cn1nc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1=O 70920372 PHQJCLKCELVGAG-UHFFFAOYSA-N 315.251 1.578 0 40 DDAB Cc1cc(C)nc(NC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1 97143092 ZZWWPZVEOMLMQY-KBPBESRZSA-N 306.410 1.929 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1F 72300566 GBTWDWOEOXYWDQ-RISCZKNCSA-N 300.399 1.585 0 40 DDAB CN(C)Cc1ccc(C(=O)NCC2(O)CCSCC2)cc1 75121685 NHBSWARJJXAITA-UHFFFAOYSA-N 308.447 1.736 0 40 DDAB COCCN(CC(=O)Nc1cc(C)nn1C)Cc1ccc(C)o1 89656066 MULBYZPSXKOJOU-UHFFFAOYSA-N 320.393 1.717 0 40 DDAB Nc1nc(NC[C@H](O)c2ccc(Cl)cc2)c2nc[nH]c2n1 76093084 WYJVJFOHLVTBJM-VIFPVBQESA-N 304.741 1.734 0 40 DDAB O=C(NC1CCCCC1)N1CCN(C(=O)c2csnn2)CC1 65865756 FGOCMJYAIBGOLH-UHFFFAOYSA-N 323.422 1.338 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 113943054 WTBAYFXZZIBUTF-UHFFFAOYSA-N 310.419 1.775 0 40 DDAB CCC(CC)(CNC(=O)N1CC[C@H](C)[C@H](C(=O)O)C1)OC 520576676 OZHCBDUKZZBWAN-NWDGAFQWSA-N 300.399 1.944 0 40 DDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)s1 74397998 FRXIYROCMWCXPV-JQWIXIFHSA-N 317.374 1.400 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1C 77845042 CGOGFXBWZRMWTQ-MEDUHNTESA-N 310.369 1.986 0 40 DDAB Cn1ccnc1[C@@H]1CCN(C[C@@H](O)COc2ccccc2F)C1 565841260 ORQCCRORYPWSLI-ZIAGYGMSSA-N 319.380 1.788 0 40 DDAB CCO[C@H]1C[C@@](O)(CNC2CCC(NC(C)=O)CC2)C1(C)C 189427109 UQSKFKYRAQUISP-UMPYDWHISA-N 312.454 1.589 0 40 DDAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)[C@@H]1CCCO1 71195899 BWBOKGCPPUAIID-ZBFHGGJFSA-N 312.373 1.940 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)c(F)c1 77938167 FESXVUFKOSZJLG-RNCFNFMXSA-N 312.316 1.571 0 40 DDAB COc1ccc(-c2cc(C(=O)NCCC(=O)N(C)C)no2)cc1 223292330 JLARBTPJNVOYHP-UHFFFAOYSA-N 317.345 1.558 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)COc2ccccc2)C1 40539201 ZXCNPIDBRQJEQP-ZDUSSCGKSA-N 306.362 1.803 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccc2)cc1 42383677 SZZXCZDSDFOAEX-CYBMUJFWSA-N 318.398 1.642 0 40 DDAB CCn1c(=O)c(N2CCC[C@H](C(=O)O)C2)nc2ccccc21 45795932 VTBNFEIVLIJQMA-NSHDSACASA-N 301.346 1.717 0 40 DDAB Cc1cc(F)ccc1-n1ccc(C(=O)NCCCC(=O)O)n1 190525021 DCOVNIOZWHHSAC-UHFFFAOYSA-N 305.309 1.914 0 40 DDAB CC(C)(C)c1ccc(NC(=O)CN(CCO)CCCO)cc1 69670424 ROKWCMRYSCLQAU-UHFFFAOYSA-N 308.422 1.599 0 40 DDAB CC(C)C[C@@H](O)CNS(=O)(=O)c1ccc(N(C)C)cc1 195579362 XCKYXRGMFLQMLU-CYBMUJFWSA-N 300.424 1.438 0 40 DDAB COCCC(=O)NCc1nnc2c(C(F)(F)F)cccn12 225808667 JVKPOPRYIFSAEJ-UHFFFAOYSA-N 302.256 1.401 0 40 DDAB O=C(CCc1ccc2c(c1)CCO2)NCc1nnc2ccccn12 95480255 UJBFHQOGPAXYMH-UHFFFAOYSA-N 322.368 1.913 0 40 DDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)N(C)C)cs1 96056594 AOLWTGGNFQXIBG-CHWSQXEVSA-N 322.434 1.698 0 40 DDAB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cncnc2)COC1 96112530 GXGWQZXKIFPULI-ZDUSSCGKSA-N 323.356 1.636 0 40 DDAB biogenic,in-vitro C[C@H](NC(=O)[C@H]1COCCO1)c1cccc(-n2cccn2)c1 96443792 OLAIGFGKMYJGRJ-SWLSCSKDSA-N 301.346 1.465 0 40 DDAB CC(C)N(C)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]12 96185409 DPCADZJMYRKLKW-OFQRWUPVSA-N 305.422 1.832 0 40 DDAB O=C(/C=C/c1ccccc1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414084 BUKJUVPIQOCDAQ-NNNHXZLVSA-N 312.291 1.979 0 40 DDAB Cc1ccoc1C(=O)N1CCn2cc(Cn3cncn3)nc2C1 96197372 GRHFLTLCGJCMCL-UHFFFAOYSA-N 312.333 1.080 0 40 DDAB COC[C@@H](C)NC(=O)CNC(=O)c1ccc(OC(C)C)cc1 143528624 BZFNLDNHGKCTTB-GFCCVEGCSA-N 308.378 1.355 0 40 DDAB Cc1csc(NC(=O)CN2CCO[C@H](c3nccs3)C2)n1 97199885 SWLWYPZYCRZRCE-JTQLQIEISA-N 324.431 1.920 0 40 DDAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 96181474 QIINWIFLQMBCSC-JKSUJKDBSA-N 304.390 1.810 0 40 DDAB C[C@@H](NS(C)(=O)=O)c1onc(-c2cccnc2)c1C(=O)O 96297051 HPUVNIIUXXNQOL-SSDOTTSWSA-N 311.319 1.045 0 40 DDAB biogenic,in-vitro CN(Cc1ccc(Cl)c(F)c1)C(=O)NCCS(C)(=O)=O 96485868 SLNXGLYDSLUDES-UHFFFAOYSA-N 322.789 1.665 0 40 DDAB O=C(C1CC1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96201027 CZOIPIYSIZZTGI-SJORKVTESA-N 315.417 1.336 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccncc4)C[C@@H]23)n1 96057256 YYFLNFWYWQBJBT-OAGGEKHMSA-N 314.389 1.710 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@H](OC)c1ccccc1C 96104936 WOLNFCPDLXXYJB-CQSZACIVSA-N 303.362 1.855 0 40 DDAB O=C(c1cnccn1)N1CC2(C[C@H](OCC3CC3)CS2)C1 247895063 ZPSONAABSIAWBP-LBPRGKRZSA-N 305.403 1.603 0 40 DDAB Cc1cc(C)nc([C@@H]2CCN(C(=O)COc3cccnc3)C2)n1 257222339 DSWZQYAGFVIKKV-CQSZACIVSA-N 312.373 1.883 0 40 DDAB CC(=O)N1CCC[C@@H]2N(C(=O)c3ccnc(C)n3)CCC[C@@]21C 257284704 PDWXOWHHAHGNPR-RDJZCZTQSA-N 316.405 1.791 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2scnc2C)n1 257244699 IMKPHPBEPDJFGW-LBPRGKRZSA-N 306.391 1.829 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CN2CCCCCC2)n1 257253023 JXHKKDVEYSULHW-AWEZNQCLSA-N 306.410 1.494 0 40 DDAB CO[C@H]1CN(C(=O)CCCn2cccn2)CC[C@@]12CCCO2 257296483 RDBJQTGBMZEDEI-HOCLYGCPSA-N 307.394 1.460 0 40 DDAB Cn1ncc2ccc([C@H]3CCCN(C(=O)c4cnco4)C3)nc21 257224260 FAZRRWKABIAIJZ-LBPRGKRZSA-N 311.345 1.976 0 40 DDAB Cn1nccc1-c1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257301414 RYJCACFJKYDKIJ-LLVKDONJSA-N 321.406 1.016 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)Cc1ccccc1OC 585278731 ROICOZBFDVLKSH-QGZVFWFLSA-N 320.389 1.121 0 40 DDAB COCc1nnc2n1CCN(Cc1cccnc1OC)[C@@H]2C 585097911 OWXAHYBXFYNWOK-LLVKDONJSA-N 303.366 1.405 0 40 DDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1c(F)cccc1F 585278086 LMLMJPSSEJHTQN-OAHLLOKOSA-N 312.316 1.461 0 40 DDAB C=CC(=O)N1CCC[C@H]1c1nccnc1Nc1nccs1 585292232 YSQYPMRNFCEQJV-JTQLQIEISA-N 301.375 2.526 0 40 DDAB CC(C)c1noc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)n1 29144172 LZOBZLIXLFCGRZ-CQSZACIVSA-N 304.306 1.753 0 40 DDAB CCN(CC(=O)N(C)C)C[C@@H](O)COc1ccc(Cl)cc1 65605662 CSXXNPBIRJGKNX-CYBMUJFWSA-N 314.813 1.490 0 40 DDAB O=C(c1ccccn1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775986013 OQIWPQURKWNCOW-UHFFFAOYSA-N 310.357 1.288 0 40 DDAB Cc1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)s1 48671717 JUCRBXODBBNDRK-KWQFWETISA-N 316.448 1.639 0 40 DDAB O=C(O)[C@H]1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 108654813 ZIBKHZJLVZZJSF-OLZOCXBDSA-N 318.377 1.016 0 40 DDAB CO[C@H]1[C@H](CNC(=O)c2ccc(F)cc2F)COC[C@H]1OC 1615127779 FEHYUDKYTGVOHB-FZQKWOKYSA-N 315.316 1.371 0 40 DDAB CCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276788 MZWVJQFPQUGNEU-UHFFFAOYSA-N 301.281 1.045 0 40 DDAB CCOCCCn1c(S)nc2cc(C(=O)O)ccc2c1=O 15424402 RKMTUGULFRMUIC-UHFFFAOYSA-N 308.359 1.810 0 40 DDAB CCn1c(SCC(N)=O)nnc1-c1ccc(NC(C)=O)cc1 19929356 JXXNNNKVKILTSH-UHFFFAOYSA-N 319.390 1.501 0 40 DDAB CC(C)C(=O)Nc1ccc(SCCN2CCOCC2)nn1 13702174 WIDDLFXFQOFYBX-UHFFFAOYSA-N 310.423 1.495 0 40 DDAB COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@H]3[C@H]1O)OCO4 17027409 YMNCVRSYJBNGLD-OKZBNKHCSA-N 315.369 1.794 0 40 DDAB COC(=O)c1ccc(NCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 18246952 ZIFIQHUSOBRSCV-OKILXGFUSA-N 314.341 1.794 0 40 DDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nncn1C 6063580 ARUBVCTWDALIQI-CYBMUJFWSA-N 318.402 1.224 0 40 DDAB Cn1nccc1CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037905578 JLGVAFBDHWTNPP-KRWDZBQOSA-N 319.380 1.965 0 40 DDAB Cc1cnccc1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037984539 DYYPGNIQTONDQP-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB Cc1cccc(NC(=O)CSc2nnc(C)c(=O)n2N)c1C 4280247 NGADTXDJANFHPR-UHFFFAOYSA-N 319.390 1.008 0 40 DDAB COC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C(=O)OC 4315921 RLIJUPLLKHZOEK-UHFFFAOYSA-N 303.318 1.964 0 40 DDAB Oc1c([C@H](c2ccco2)N2CCOCC2)sc2ncnn12 22610074 NXQIRLYJSAYIKY-JTQLQIEISA-N 306.347 1.511 0 40 DDAB Cc1ccc(C(=O)NCCOCCN2C(=O)CCC2=O)cc1F 1775966327 YGWHOQYUKVQYCI-UHFFFAOYSA-N 322.336 1.030 0 40 DDAB CCCn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 23115372 ASRVLDJYDSMKSH-UHFFFAOYSA-N 319.409 1.080 0 40 DDAB C[C@@H]1CN(c2ccnc(C3CC3)n2)CCN1Cc1cnn(C)c1 2298029949 GTIBPPLHFWYMPZ-CYBMUJFWSA-N 312.421 1.798 0 40 DDAB COC(=O)Nc1nc(CC(=O)NCc2ccccn2)cs1 12440346 AQUYVRVWSBFBFH-UHFFFAOYSA-N 306.347 1.575 0 40 DDAB O=c1ccc(-c2ccccc2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2 13267241 RUSSTMVFYKPPQO-MVVMVCHASA-N 311.385 1.556 0 40 DDAB O=C1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCN1C1CC1 96450185 OODJIAFUGGMGPJ-UHFFFAOYSA-N 302.349 1.691 0 40 DDAB CC(C)(C)c1nc(CSc2nnnn2C[C@@H]2CCCO2)no1 40496878 IBJJYRLGYUXEFB-VIFPVBQESA-N 324.410 1.825 0 40 DDAB O=C(CC[C@H]1NC(=O)NC1=O)Nc1cccc2c1CCCC2 32033509 BDJHHUXJFMWYKB-CYBMUJFWSA-N 301.346 1.492 0 40 DDAB COc1ccc(Cl)cc1CC(=O)N[C@H]1CCS(=O)(=O)C1 32784490 VSSRDLYWDHQBMC-NSHDSACASA-N 317.794 1.194 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccccc2Br)C1 41128913 ZHUHKYFZVWUUME-QRGHLMKCSA-N 323.190 1.796 0 40 DDAB O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc[nH]c1=O 32925224 NDUJYWVQAFLMOZ-UHFFFAOYSA-N 311.341 1.432 0 40 DDAB COC(=O)c1ccccc1NC(=O)N[C@H](C(=O)OC)C(C)C 488598 DOOKTDJMACEAQU-LBPRGKRZSA-N 308.334 1.792 0 40 DDAB COC(=O)N1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 41350392 TZPQYLNYJZWPMU-UHFFFAOYSA-N 306.362 1.538 0 40 DDAB CC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 53356256 QKSBULROJOUOQX-UHFFFAOYSA-N 318.373 1.542 0 40 DDAB CCn1cnnc1CNC(=O)c1ccc(N2CCC(C)=N2)cc1 53404880 AICKRNGHWWZZLF-UHFFFAOYSA-N 312.377 1.814 0 40 DDAB CO[C@@H]1CCCN(C(=O)NCc2ccnc(-n3ccnc3)c2)C1 76573435 CIYVHIARCAVMDZ-CQSZACIVSA-N 315.377 1.588 0 40 DDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1noc(-c2ccco2)n1 47350394 AOFJFPCIQIOCJP-CYBMUJFWSA-N 320.330 1.257 0 40 DDAB NC(=O)C1(CNC(=O)Nc2nc(C3CC3)cs2)CCOCC1 47387775 HBXARYCVUNZUOK-UHFFFAOYSA-N 324.406 1.424 0 40 DDAB CN1C[C@@H](NC(=O)c2ncccc2C(F)(F)F)CCC1=O 92411709 NREYHNXYASLOSI-QMMMGPOBSA-N 301.268 1.451 0 40 DDAB CC1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 78994845 GWHRCYMKXRKWMT-HTAVTVPLSA-N 305.465 1.602 0 40 DDAB O=C1CC2(CC(=O)N1CCc1c[nH]c3ccccc13)OCCO2 1716913 GIAWKDRJTOBMHX-UHFFFAOYSA-N 314.341 1.603 0 40 DDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCCO 79501391 LFXKEJMNIWMHGT-UHFFFAOYSA-N 312.373 1.540 0 40 DDAB COc1ccc2cc(CNC(=O)[C@H](C)NC(C)=O)ccc2c1 22700119 FWZMFXRBWMKZRP-NSHDSACASA-N 300.358 1.989 0 40 DDAB CS(=O)(=O)NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2471789 OIXAFYAOQQBQSF-GFCCVEGCSA-N 318.398 1.705 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 3268031 GZEXLSPVDWIRGE-SNVBAGLBSA-N 323.823 1.825 0 40 DDAB CC1(C)CN(C(=O)CCNC(N)=O)CCN1Cc1ccccc1 104943091 UDBLCSLDCKGJHE-UHFFFAOYSA-N 318.421 1.168 0 40 DDAB COC(=O)c1ccc(CNC(=O)Cn2nnc3ccccc32)cc1 6999086 VTXTWDBUKAAVAQ-UHFFFAOYSA-N 324.340 1.534 0 40 DDAB CCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475833 YWRNERYTNRFONV-UHFFFAOYSA-N 314.407 1.522 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(F)c(C(N)=O)c1 25145654 JZDNFRLKVVWSSN-WCBMZHEXSA-N 307.325 1.025 0 40 DDAB COc1ccc(-n2ccc(CNC(=O)c3ccc(=O)[nH]c3)n2)cc1 55613045 DPBWBMKLQCJBGL-UHFFFAOYSA-N 324.340 1.499 0 40 DDAB COCC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCOC2)cc1 83897838 SPTJWECDDZQPNI-NSHDSACASA-N 313.375 1.082 0 40 DDAB Cc1ccc(C)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 3226150 BQWMGNCNXSSDFA-UHFFFAOYSA-N 318.398 1.881 0 40 DDAB C[C@@H](NC(=O)NCCOc1ccc(Cl)cc1)c1nncn1C 43789371 OTXHPBJGBULFPX-SNVBAGLBSA-N 323.784 1.908 0 40 DDAB C[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1ccncc1 35126609 KCDSGIMKNIQTGX-QMMMGPOBSA-N 312.372 1.881 0 40 DDAB in-vitro O=C(O)CCCNC(=O)COc1ccc2ccc(=O)oc2c1 1793738 IBRXEPKZOZXSQI-UHFFFAOYSA-N 305.286 1.153 0 40 DDAB biogenic OC[C@@H]1CCCN1C[C@@H]1CCCN1Cc1noc(C2CC2)n1 108354971 WMPDGDGQVAJNIS-KBPBESRZSA-N 306.410 1.368 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)CCC(=O)N2CCOCC2)no1 44710404 HRTFJAFNEDXIQP-CQSZACIVSA-N 321.377 1.286 0 40 DDAB O=C(/C=C/c1cnccn1)NCc1cnn(-c2ccccc2)c1 84573043 MNFYIBSTZCVZDV-VOTSOKGWSA-N 305.341 1.992 0 40 DDAB CCC(C)(C)NC(=O)C[S@](=O)Cc1cccc(C(N)=O)c1 84721082 LKWVHMIZDJRODZ-NRFANRHFSA-N 310.419 1.339 0 40 DDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44938187 PDAPFLZJSLEKJA-SSDOTTSWSA-N 319.766 1.118 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1-n1cnnn1 58304606 GKQSAEVTOCRPGA-LBPRGKRZSA-N 301.350 1.303 0 40 DDAB COCCNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 27967679 CGTZJJYFYAKGRN-UHFFFAOYSA-N 307.755 1.051 0 40 DDAB CC(C)c1ocnc1C(=O)NCc1ccc(OCC(N)=O)cc1 95394859 FJKRATZSHHARIE-UHFFFAOYSA-N 317.345 1.592 0 40 DDAB C[C@@H]1COCCN1C(=O)CCCn1c(=O)oc2ccccc21 46258172 NPNAZLRSICZJCD-GFCCVEGCSA-N 304.346 1.622 0 40 DDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc2ccccc2c(=O)[nH]1 46994015 OFGZGTXNZUSYEN-GDBMZVCRSA-N 311.385 1.885 0 40 DDAB Cc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1C 8844436 XZVCGIORGNGIES-LBPRGKRZSA-N 303.405 1.232 0 40 DDAB Cc1cc(C)cc(OCCSCc2nc(N)nc(N)n2)c1 13018178 DFKAIWMXUQDYRE-UHFFFAOYSA-N 305.407 1.965 0 40 DDAB O=S1(=O)C[C@@H]2N=C(Nc3ccc(F)cc3F)S[C@@H]2C1 3907023 KDOPJMAWZYJSHB-VHSXEESVSA-N 304.343 1.645 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 71285764 QZRLGUKSNDKVBD-VHSXEESVSA-N 310.737 1.734 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 9114499 XZNWGMPSZFVLGG-CQSZACIVSA-N 308.403 1.204 0 40 DDAB Cc1cccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)c1 6055574 ZJFPNYQAZRMYPG-ILXRZTDVSA-N 301.390 1.723 0 40 DDAB COc1cccc(OC)c1C(=O)NCCCN1CCN(C)CC1 22934794 SPHBWUZWCBPRRL-UHFFFAOYSA-N 321.421 1.071 0 40 DDAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCC(=O)O 4351354 UIFVGGFCSVBKTB-WDZFZDKYSA-N 322.342 1.687 0 40 DDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c(C)c1C 13985665 SVMIOUNIDXTDHE-CQSZACIVSA-N 324.446 1.867 0 40 DDAB Cc1csc([C@@H]2CN(CC(=O)NCc3ccco3)CCO2)n1 65466026 KPCRJQYUFJWVPG-ZDUSSCGKSA-N 321.402 1.734 0 40 DDAB CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1c(C)cc(C)[nH]c1=O 65517638 FLHWEYQKTDZJDW-QWHCGFSZSA-N 307.394 1.701 0 40 DDAB CCC(=O)N[C@H](CCSC)C(=O)N(C)Cc1ccncc1 65604878 WNZAPFHWNMDPHY-CYBMUJFWSA-N 309.435 1.688 0 40 DDAB CCOc1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)cc1 4704174 HGZIXRNJKWWOIC-GFCCVEGCSA-N 319.386 1.728 0 40 DDAB COc1ccccc1CN(C)C(=O)CN1CCOC[C@H]1C1CC1 90007953 VUXPMNDUKPMUFR-INIZCTEOSA-N 318.417 1.764 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1cc(=O)n2ccsc2n1 7655310 OLXJZFHNQXQBRW-UHFFFAOYSA-N 311.322 1.552 0 40 DDAB O=C(NCCN1CCOCC1)Nc1cccc2cnccc12 69350853 LGWRZPNEWQRVJN-UHFFFAOYSA-N 300.362 1.689 0 40 DDAB CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(Cl)n2)CC1 96405912 UBSODRQJTIDBDO-ZDUSSCGKSA-N 324.856 1.738 0 40 DDAB CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 69707386 ZDGRKFSYRGVMJC-CVEARBPZSA-N 321.465 1.626 0 40 DDAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(CCO)CC3)o2)cc1 69739990 FOQPZYJOMDPGDG-CQSZACIVSA-N 316.405 1.716 0 40 DDAB Cc1noc(C)c1C(=O)N1CCCN(c2cccnn2)CC1 71860315 FJOVRJWZLUQTKV-UHFFFAOYSA-N 301.350 1.434 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCCN2CCCS(C)(=O)=O)n1 69847032 HLGPNUNGPKYBHL-CQSZACIVSA-N 314.455 1.184 0 40 DDAB O=C(CO)NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 97098110 WFEAFDQXCJXHDA-MRXNPFEDSA-N 310.353 1.955 0 40 DDAB CCOC[C@@H](C)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97084588 OUYFTLSBVPLREZ-CYBMUJFWSA-N 312.435 1.758 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](n2cncn2)C1 72272359 IEUAUIAZEVKISE-IUODEOHRSA-N 314.345 1.282 0 40 DDAB CN1CCN(C2CCN(Cc3nnc(C(C)(C)C)o3)CC2)C1=O 72267489 BXFXQJPIMHYKRZ-UHFFFAOYSA-N 321.425 1.699 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](c2noc(C)n2)C1 72273723 QURMOHGUYUQJCT-UONOGXRCSA-N 306.410 1.958 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ncccc3O)[C@@H](C)C2)n1 97165492 HJASYYUVDTVLQK-ZDUSSCGKSA-N 312.373 1.842 0 40 DDAB Cn1c(C2CC2)nc2c1CCN(CC(=O)Nc1cccnc1)C2 84310799 ZJVDUHPQQAJOOS-UHFFFAOYSA-N 311.389 1.689 0 40 DDAB CN(C)C(=O)CNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 95457480 BPYNFZFFJOJFSJ-UHFFFAOYSA-N 306.362 1.460 0 40 DDAB COc1ccc2c(c1)C[C@H](NC1CCN(C(N)=O)CC1)CC2 95973573 PMMIUKMYYXHEJH-OAHLLOKOSA-N 303.406 1.685 0 40 DDAB O=C1C[C@@H](CNC(=O)C(F)(F)C2(O)CCC2)c2ccccc2N1 95978986 LEHVNLNSGUNNPA-JTQLQIEISA-N 324.327 1.779 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 75118891 BBCBAJFQJPDGLJ-GFCCVEGCSA-N 323.356 1.755 0 40 DDAB C[C@@H]1CN(c2ncnc3c2cnn3C)CCN1c1nccs1 89939460 XARCPMBMSLTWLA-SNVBAGLBSA-N 315.406 1.535 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CC[C@@H]3CCCCO3)CCO2)n1 76044825 AQHFHBJKISSLNY-STQMWFEESA-N 308.382 1.362 0 40 DDAB Cc1ccc(N2CC[C@H](NC(=O)c3cscn3)C2=O)cc1 76022402 SDWFRCRBRGHETF-LBPRGKRZSA-N 301.371 1.987 0 40 DDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCc3ccncc3)C2)C1=O 76059040 BRUZOLXEWSLIPB-WMLDXEAASA-N 316.405 1.276 0 40 DDAB COCC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1548530698 PBSILZGDVWYQHU-UHFFFAOYSA-N 301.346 1.206 0 40 DDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNCc1cnnn1C 548021070 KSIAEOUCHCNGPT-STQMWFEESA-N 322.388 1.122 0 40 DDAB CCN(CC)C(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408977303 WSBCOFPVPHNHQE-UHFFFAOYSA-N 324.340 1.759 0 40 DDAB CCN(CC)S(=O)(=O)c1cncc(Br)c1O 72210853 URXUTIHIQZDNFS-UHFFFAOYSA-N 309.185 1.580 0 40 DDAB CCc1ncc(CN=c2nc(O)c3cnn(C(C)(C)C)c3[nH]2)o1 562536495 BVTOANIVVJZMHY-UHFFFAOYSA-N 316.365 1.871 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N1CCC=C(C(=O)O)C1 72226953 BOCLEALSDWZGOV-UHFFFAOYSA-N 311.359 1.409 0 40 DDAB CC(=O)N1CC(C(=O)Nc2ccccc2OCCN(C)C)C1 72344550 ASIRHNALKIUQEF-UHFFFAOYSA-N 305.378 1.044 0 40 DDAB O=C(NCC1(c2ccccc2)CC1)N[C@H]1CC(=O)N(C2CC2)C1 78844397 OACXASXZBGFJEX-AWEZNQCLSA-N 313.401 1.781 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2N2C(=O)CSC2=O)no1 44226097 ROTWEZXGKVOCFH-MWLCHTKSSA-N 323.374 1.719 0 40 DDAB COCCC(=O)N1CCN(c2ncnc3c(C)csc23)CC1 225460025 UBDRMCPTIWMSQD-UHFFFAOYSA-N 320.418 1.685 0 40 DDAB C[C@@H]1CN(C(=O)CCOc2nn(C)c3ccccc23)C[C@@H](C)O1 226865002 SJAAMTIXZZTRIW-CHWSQXEVSA-N 317.389 1.978 0 40 DDAB CCCNC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 225774073 UGWYHTLAQKNWSJ-UHFFFAOYSA-N 311.407 1.419 0 40 DDAB CN1C[C@@H](C(=O)NCCNc2ccc3ccccc3n2)CC1=O 96436757 MGNGQWCDHMACBM-ZDUSSCGKSA-N 312.373 1.241 0 40 DDAB CN(C)CCO[C@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 96057455 IOAMHYMTHPRNIO-IKGGRYGDSA-N 305.422 1.392 0 40 DDAB Cn1cc(CN2CCCn3nnc(COCC4CC4)c3C2)cn1 96258983 UOUHMLDQRNYBQI-UHFFFAOYSA-N 316.409 1.344 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccc(F)c1 96184529 DWTQBVWDZCQKNZ-CVEARBPZSA-N 324.421 1.967 0 40 DDAB O=C(C[C@@H]1CO[C@@H]2CN(CC3CC3)C[C@H]12)Nc1cccnc1 96218947 XATRXNKZYDZXKO-FVQBIDKESA-N 301.390 1.767 0 40 DDAB CC(C)c1nc(NS(=O)(=O)c2cnc(C(C)C)[nH]2)n(C)n1 96448154 OZJYLJFEOVENAK-UHFFFAOYSA-N 312.399 1.586 0 40 DDAB Cn1cccc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 96196953 BLOYZGOWUPQRHS-UHFFFAOYSA-N 324.388 1.165 0 40 DDAB CCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C(N)=O 96182138 AESUPKYCRPJHTN-UHFFFAOYSA-N 308.363 1.111 0 40 DDAB Cc1ccc(CCC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)o1 96460336 GNQKHRGWSTUQRC-MRXNPFEDSA-N 322.405 1.520 0 40 DDAB Cc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CCN(C)C)C3=O)C2)o1 96201645 KMWUXLOEVTWSOW-RDTXWAMCSA-N 319.449 1.820 0 40 DDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)no1 96100626 SIJAIMHICKRJIU-CYZMBNFOSA-N 315.333 1.160 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)S1 96426966 FRIYJDRIULUWBD-JTQLQIEISA-N 320.418 1.801 0 40 DDAB COCC(=O)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96048288 ARWKULONUSFJCM-ZBFHGGJFSA-N 306.362 1.257 0 40 DDAB COCCn1c(C(=O)NCCO)cc2c1c1ccccc1n2C 96037242 QEXUKGFYKDCDAX-UHFFFAOYSA-N 315.373 1.502 0 40 DDAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 247809037 DCADJGDMYBFWKN-MRXNPFEDSA-N 318.421 1.431 0 40 DDAB O=C1NC(=O)C2(CCN(c3nc4ccccc4s3)CC2)N1 296617661 WGXNOSHJWDYZLQ-UHFFFAOYSA-N 302.359 1.475 0 40 DDAB Cc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257226264 FJXKVJWAHHKOSQ-ZIAGYGMSSA-N 320.320 1.695 0 40 DDAB COCCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1 257259803 LACDEOFYPXOZGV-UHFFFAOYSA-N 316.405 1.700 0 40 DDAB CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 257343310 ZSIYQQCUZUAIRC-KRWDZBQOSA-N 306.406 1.240 0 40 DDAB c1cn(-c2cncc([C@H]3CCCN(Cc4c[nH]cn4)C3)n2)cn1 257333085 YABRSSAXGWAZTM-ZDUSSCGKSA-N 309.377 1.765 0 40 DDAB Cc1cc2nc(C3CCN(C(=O)Cn4ccnc4)CC3)ccn2n1 257318107 VMOCJZOGDFLDPV-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)CC1=O 252485091 GNLJNODQKBHUQK-ARILJUKYSA-N 321.421 1.349 0 40 DDAB Cc1ccc2cccnc2c1S(=O)(=O)N[C@H](C(=O)O)C(C)C 362127435 XSFDWFDUOHDRQW-LBPRGKRZSA-N 322.386 1.931 0 40 DDAB CNC(=O)[C@H]1CCC[C@H]1NC(=O)NC1Cc2ccccc2C1 390834202 UMMMUWVBFIPGDW-LSDHHAIUSA-N 301.390 1.368 0 40 DDAB C[C@]1(NC(=O)Nc2ccc3ncccc3c2)CCS(=O)(=O)C1 575425220 RIFZKNSLBPWPAE-HNNXBMFYSA-N 319.386 1.934 0 40 DDAB COc1ccc(CC(=O)N2CC[C@]3(CCCO3)C(=O)C2)cc1F 585289594 RXVFGZKYCONAIM-QGZVFWFLSA-N 321.348 1.727 0 40 DDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2ccncc2C)CCO1 585275788 JOHPWIDZPRHRAB-QGZVFWFLSA-N 321.421 1.086 0 40 DDAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)o1 585110905 XZVZFPMUOLCFSA-CQSZACIVSA-N 314.389 1.653 0 40 DDAB COc1ccc(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)cn1 1553514808 MDHMYXNIBPHPNY-CYBMUJFWSA-N 304.394 1.156 0 40 DDAB O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccs1 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1.635 0 40 DDAB COC(=O)CN(Cc1nc2ccccc2n1C)C1CCOCC1 72876169 LCAOBUJLDJOBJA-UHFFFAOYSA-N 317.389 1.727 0 40 DDAB CC(=O)N1CCC(c2cnc(N3CCC[C@@H]3CO)cn2)CC1 72365233 MTFIZTWDPBKAFC-CQSZACIVSA-N 304.394 1.164 0 40 DDAB CCN1CCO[C@@H](C(=O)N2CCc3cc(F)ccc3[C@@H]2C)C1 73880983 YUIUZEGWARHNFE-BLLLJJGKSA-N 306.381 1.992 0 40 DDAB O=C(NCC1CCOCC1)[C@H]1CN(c2ccccc2)CCO1 72352809 HJNUOWFVLKNVBE-MRXNPFEDSA-N 304.390 1.435 0 40 DDAB O=C(/C=C/c1cncc(F)c1)NCCCOC[C@@H]1CCCO1 79050063 BGQBWUJYFAPCPQ-RGDDUWESSA-N 308.353 1.936 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2ccc(-n3ccnc3)cn2)C1 72364819 XXVZOXDKARIWHP-LBPRGKRZSA-N 306.391 1.406 0 40 DDAB Cc1cc(-c2cccnc2)nc(C2CN(S(C)(=O)=O)C2)n1 72365179 DHSXYKPNFQPMBM-UHFFFAOYSA-N 304.375 1.206 0 40 DDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(C)cc(F)c1)C(=O)O 563073280 UHSFRPAKIRQSEJ-SKDRFNHKSA-N 303.355 1.912 0 40 DDAB CCN1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)[C@@H](C)C1 567704116 RJFUOJKAPAXWOP-AWEZNQCLSA-N 313.405 1.362 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C1(CO)CCCC1 565205445 BVOCGUFYXYQTIP-CQSZACIVSA-N 319.405 1.488 0 40 DDAB Cn1cc([C@@H]2CN([C@@H](C(=O)O)c3ccc(F)cc3)CCO2)cn1 571691832 PCKFJYLNRFQMPH-LSDHHAIUSA-N 319.336 1.758 0 40 DDAB CONC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 96191765 ZFBSKSQYZKUCHH-UHFFFAOYSA-N 312.329 1.785 0 40 DDAB COCCN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 96042838 UMTIBVKARGHIRL-NWANDNLSSA-N 305.378 1.146 0 40 DDAB CCN1CC[C@@H](N(C)S(=O)(=O)C2CCOCC2)C[C@@H]1C 96419769 XNMXHWWGRQEBCL-QWHCGFSZSA-N 304.456 1.300 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[C@]2(CCOC2)C1 97227601 UTJYPAGSMHALPI-RYRKJORJSA-N 324.465 1.810 0 40 DDAB O=c1c2cccnc2cnn1C[C@@H](O)COCc1cccs1 96419819 HYPJBZYYIBOPRY-LLVKDONJSA-N 317.370 1.431 0 40 DDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(CC1CC1)CC2 96260323 IMDYECWUBGFVNP-UHFFFAOYSA-N 302.422 1.318 0 40 DDAB COc1cccc(-c2noc([C@H](C)NC(=O)c3cc[nH]n3)n2)c1 96432738 KMYAFWVJUVPBSD-VIFPVBQESA-N 313.317 1.959 0 40 DDAB COc1ccccc1/C=C/CN1CC[C@H](NS(C)(=O)=O)C1 93531155 GYTXWCLXLXDLKW-DYLGSBMWSA-N 310.419 1.332 0 40 DDAB CCN1CCc2nc(N3CCOCC3)nc(NC3CC3)c2C1 96254151 YOSKYOFKOHLSMT-UHFFFAOYSA-N 303.410 1.266 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)NCCn2ccnc2)cc1 91030151 OLAODYBAHSHVIN-UHFFFAOYSA-N 309.391 1.649 0 40 DDAB COc1cccc2c1CCN(C(=O)NCC[C@@H](C)[S@](C)=O)C2 96501294 ZACIYWDILNRNJU-VERVWZFWSA-N 324.446 1.920 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C)s2)C1 92569965 SUNVVTLIBGSTJI-JTQLQIEISA-N 302.421 1.210 0 40 DDAB Cn1cc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)cn1 96244716 GIOZZMXVZRTOGG-INIZCTEOSA-N 310.401 1.873 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@@H](C)CCc3cccn3C)nn12 96425735 BFRQIAFQMVLSJP-NSHDSACASA-N 312.377 1.522 0 40 DDAB CNC(=O)[C@H]1COC[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 96040751 SASBZHCESZLVPP-DBZFGTJNSA-N 320.414 1.228 0 40 DDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)CSC)cc1 96477996 FPXUFLAXFUUXAZ-GHMZBOCLSA-N 302.465 1.997 0 40 DDAB CN(C)c1cccc([C@H]2CCCN2C(=O)[C@@H]2COCCO2)c1 96410194 NBAIZHADLNDJGQ-CVEARBPZSA-N 304.390 1.832 0 40 DDAB CCN1CCOC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96049606 VWYPOARAKHEICS-INIZCTEOSA-N 304.394 1.051 0 40 DDAB O=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2nonc12 247325945 NLAJPHBFAXTDAQ-GARJFASQSA-N 307.375 1.937 0 40 DDAB Cn1nccc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257228376 FTOODHHXXOMBFO-HOTGVXAUSA-N 312.373 1.036 0 40 DDAB Cc1ccccc1-c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)[nH]n1 257276898 NVOTVPOWAYEVPW-CQSZACIVSA-N 315.329 1.311 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 257326690 WYFCMHKNXRVLPN-CYBMUJFWSA-N 300.318 1.099 0 40 DDAB CNC(=O)c1cnn2c([C@@H]3CCN(CC(C)C)C3)ccnc12 257255587 KIBZSCJTLSRMSQ-GFCCVEGCSA-N 301.394 1.534 0 40 DDAB CCN(CC)C(=O)CN1CCN(C(C)=O)[C@H](c2ccccc2)C1 257276572 NUIKOGPXWASVQM-KRWDZBQOSA-N 317.433 1.760 0 40 DDAB O=C(c1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257199851 ABAUQMQPIWNURQ-GHMZBOCLSA-N 316.373 1.665 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(F)cc1 257294317 QTNRTOPDSMXLEU-MRXNPFEDSA-N 300.337 1.592 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 257246432 IUCCRYVYXGBRND-IBGZPJMESA-N 316.445 1.633 0 40 DDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 257207800 BJHOGDBCYLFVRI-ZIAGYGMSSA-N 319.336 1.131 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3)C2)c1 575604672 CLYRZJAABZHVCR-CYBMUJFWSA-N 322.390 1.047 0 40 DDAB OC[C@]1(Cc2ccccc2F)CN(Cc2ncc[nH]2)CCO1 585277369 VLMLFGJDXPIGPI-INIZCTEOSA-N 305.353 1.355 0 40 DDAB CC[C@@H](C)N1C[C@]2(CCCN(Cc3cc(C)nn3C)C2)C1=O 585099361 HQARRUHJDWPTNF-RHSMWYFYSA-N 304.438 1.951 0 40 DDAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC[C@H](O)C1 67477612 LHFQPQSDXPPKTK-JKSUJKDBSA-N 316.401 1.203 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 30518773 COXPWTDKNRUACK-UHFFFAOYSA-N 307.375 1.454 0 40 DDAB O=S(=O)(c1ccccc1Br)N1CCC(O)CC1 35119125 MRIPHWKHKOONFN-UHFFFAOYSA-N 320.208 1.595 0 40 DDAB Cc1cccc(N2N=C(C(=O)Nc3ccn(C)n3)CCC2=O)c1 44872999 LXSAZFVIRCDAAU-UHFFFAOYSA-N 311.345 1.850 0 40 DDAB O=C(c1scnc1Cl)N1CCC(N2CCNC2=O)CC1 48940575 NYSWGGCCECVTBX-UHFFFAOYSA-N 314.798 1.426 0 40 DDAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(O)nn1 53367188 LOOGRNRLHVLWGT-LLVKDONJSA-N 303.293 1.965 0 40 DDAB Cc1cc(C)cc(N(C)CC(=O)NCC(=O)N2CCCC2)c1 54291495 BSJLCBIYMVIPQY-UHFFFAOYSA-N 303.406 1.478 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3cn4ccsc4n3)CCO2)n1 76048515 IDDITJMXQQLPNL-LLVKDONJSA-N 304.379 1.396 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H](C)n2cncn2)no1 76044540 HBIPSZMZILVJIH-QWRGUYRKSA-N 304.354 1.709 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)N[C@H](C)CC(=O)O)CC2=O)c1C 95970392 BJLOAAABTKRGNR-DGCLKSJQSA-N 318.373 1.636 0 40 DDAB C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(N)cc2)C1 97375546 DQGIGTBBGOSZKP-ZDUSSCGKSA-N 311.451 1.669 0 40 DDAB O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccncc1 108141101 OJIBDRNPHUYGMQ-DLBZAZTESA-N 311.385 1.447 0 40 DDAB CN(CC(=O)Nc1ccc(Br)cn1)c1ncccn1 95429756 SXVBEPIVOHWFNN-UHFFFAOYSA-N 322.166 1.709 0 40 DDAB CN(C)c1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncn1 892639624 ASEKZAPOSKUMHS-UHFFFAOYSA-N 313.287 1.173 0 40 DDAB O=C(c1cscn1)N1CCC[C@@H](c2ccnc3ncnn23)C1 12157315 XNJCSRBYAADFAR-SNVBAGLBSA-N 314.374 1.601 0 40 DDAB CC[C@@H](CO)NC[C@@H](O)COc1cccc(Br)c1 5950379 ABLMDJKBDHGMKE-NWDGAFQWSA-N 318.211 1.549 0 40 DDAB CCC[C@@H]1NC(=O)N(CCOc2ccccc2C(C)=O)C1=O 8734074 HTDPSDRUPXLBGJ-ZDUSSCGKSA-N 304.346 1.989 0 40 DDAB Cc1cc(N2CCN(c3cc(N(C)C)ncn3)CC2)nc(C)n1 1888899388 XOQLBFWGFGAIHT-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB Cc1cnc(N2CC[C@H](COc3ccc4nccn4n3)C2)nc1 2087022419 IFKOTLGUIWVOSU-ZDUSSCGKSA-N 310.361 1.733 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)c1cccc(Cl)n1)C2 1565550339 ZNDNBICEQZAYMF-UHFFFAOYSA-N 309.797 1.529 0 40 DDAB O=C(NCCO)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3097387 VFUBYRKVTAMKPI-UHFFFAOYSA-N 310.309 1.209 0 40 DDAB Cc1nnsc1C(=O)Nc1cc(-c2ccco2)nn1CCO 42384669 JGSMEQYEYQEWQS-UHFFFAOYSA-N 319.346 1.548 0 40 DDAB O=C(NCC[C@@H](O)c1ccco1)C(=O)NCc1cccs1 77112075 ZOVWOFDOFBWYSM-LLVKDONJSA-N 308.359 1.197 0 40 DDAB O=S(=O)(NCCOc1cccc(F)c1)N1CCCCCC1 40105084 QFPAXTSKGZHJIA-UHFFFAOYSA-N 316.398 1.915 0 40 DDAB CCc1nnsc1C(=O)N1CCC(CN2CCOCC2)CC1 40539075 HMETXRJRURXLOU-UHFFFAOYSA-N 324.450 1.285 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1c[nH]ccc1=O 40513477 UYIVKCVOTVQFOH-UHFFFAOYSA-N 313.235 1.194 0 40 DDAB CCc1cc(NCCN2C[C@@H](C)O[C@H](C)C2)n2ncnc2n1 51651909 ZEDZFAXBHAUWAO-VXGBXAGGSA-N 304.398 1.208 0 40 DDAB C[C@@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@H]2CCCC[C@@H]21 51766099 IIVVGEWNLZBMHS-YUELXQCFSA-N 305.422 1.485 0 40 DDAB CN(C)[C@@H](CNc1ccc2nnnn2n1)c1ccc(F)cc1 52486082 HTESDJVIMWBUSM-LBPRGKRZSA-N 301.329 1.373 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCCc2cccs2)C[C@@H](C)O1 32895598 DBHZHFDFGGGHSM-GHMZBOCLSA-N 304.437 1.234 0 40 DDAB COc1ccccc1C(=O)NCc1nnc2n1CCCCC2 22701124 DGTPWPSVLHKIJX-UHFFFAOYSA-N 300.362 1.943 0 40 DDAB O=C(N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 78571098 YIONWNUDDKCYPL-JKSUJKDBSA-N 319.449 1.236 0 40 DDAB CCc1ccc(N2C[C@@H](C(=O)NC3=NCCS3)CC2=O)cc1 806833 PNHJCROIIQEMEE-LBPRGKRZSA-N 317.414 1.821 0 40 DDAB COC(=O)c1ccoc1CSc1nnnn1Cc1ccco1 23355391 KPJUEBYGTBJASS-UHFFFAOYSA-N 320.330 1.986 0 40 DDAB O=C(c1ccc(CN2CCN(CCO)CC2)cc1)N1CCCC1 54358063 KRQXYOUBQTVIQH-UHFFFAOYSA-N 317.433 1.033 0 40 DDAB COCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 6882439 PHPQLFQFHUUFMA-UHFFFAOYSA-N 324.421 1.725 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(NC(C)=O)cc1 6905565 BTHLDVVUTOZMKE-LBPRGKRZSA-N 324.406 1.374 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107264694 AJEZUJFIPAPFIM-GVDBMIGSSA-N 324.384 1.705 0 40 DDAB CCn1cnnc1CNC(=O)NCCOc1cc(C)cc(C)c1 56820867 GFOJXIAJUIUGKG-UHFFFAOYSA-N 317.393 1.793 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 56838562 WXIACWUGRNEVQX-AWEZNQCLSA-N 305.353 1.720 0 40 DDAB O=C(CNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 3249773 XDLOBXKIXHKRLX-UHFFFAOYSA-N 312.325 1.462 0 40 DDAB Cn1cccc1[C@@H]1COCCN1C(=O)Cc1ccc(O)cc1 97162825 FOGNMYQBUBNCTR-INIZCTEOSA-N 300.358 1.873 0 40 DDAB CC[C@@H](c1ccccc1)N1CCN(CC(=O)NCCOC)CC1 57861016 QOSAGSRUCTUWBV-KRWDZBQOSA-N 319.449 1.518 0 40 DDAB Cn1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1=O 44604369 MAVMAUQWXGMQFX-UHFFFAOYSA-N 317.414 1.405 0 40 DDAB Cc1cc(C(=O)NCCn2ncc3c2c(C)nn3C(C)C)on1 57279723 WQOJEXQQSOBUKM-UHFFFAOYSA-N 316.365 1.849 0 40 DDAB O=S1(=O)N=C(NCCCOC[C@H]2CCCO2)c2ccccc21 10202789 ABPAPVISESURNY-GFCCVEGCSA-N 324.402 1.311 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)CN2CCCC2=O)n1 58264788 AVKACPOOTOOVHR-LBPRGKRZSA-N 322.434 1.313 0 40 DDAB NC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 12791436 KAHNIBYEVJTAKO-OAHLLOKOSA-N 301.390 1.204 0 40 DDAB C[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)[C@@H]1CCCO1 27894053 UETMGEGRHXRHIM-JSGCOSHPSA-N 316.357 1.787 0 40 DDAB Cc1cc(-c2nnn(CC(=O)NC3CCCC3)n2)ccc1F 58305171 OLSVXRIAFRIQDU-UHFFFAOYSA-N 303.341 1.846 0 40 DDAB Cn1cc(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)cn1 58305140 ITOMQLMFMVUBSC-UHFFFAOYSA-N 309.329 1.486 0 40 DDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1 21526216 ZGTUAHSQXFMXAO-UHFFFAOYSA-N 320.440 1.553 0 40 DDAB CN(C)S(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 97107235 VDCUWAUELABAII-INIZCTEOSA-N 324.446 1.926 0 40 DDAB CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC2CC2)o1 36392810 MZVWAMQGAPKQNH-VIFPVBQESA-N 300.380 1.495 0 40 DDAB O=S1(=O)C[C@H]2SC(Nc3ccc(F)c(F)c3)=N[C@@H]2C1 2463042 JLZSQDSKGFHSJJ-NXEZZACHSA-N 304.343 1.645 0 40 DDAB O=C1N(c2cccnc2)CC[C@]12CCCN([C@H]1CCOC1)C2 107229697 FYQYYGIQQSHRHY-RDJZCZTQSA-N 301.390 1.689 0 40 DDAB CN(C)C(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 107198124 WORDFVWBRFMPCC-HEHGZKQESA-N 318.373 1.235 0 40 DDAB CCN1C[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1=O 46354763 RMIHISIDDBFWID-HIFRSBDPSA-N 320.364 1.594 0 40 DDAB CCN1C[C@@H]2CN(c3cc(OC)ncn3)CCC[C@]2(C(=O)O)C1 107201457 BTSMRWLPNHDEJE-WBMJQRKESA-N 320.393 1.108 0 40 DDAB CCCCN(C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 12905375 JPIJRFAFLSUSEF-CQSZACIVSA-N 320.368 1.504 0 40 DDAB CC(=O)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 3645614 CVSCLSQOEWJMMJ-UHFFFAOYSA-N 315.339 1.964 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 9197139 OPRLECRKTFYIIN-ZIAGYGMSSA-N 304.390 1.807 0 40 DDAB CNc1nc(NCCn2cc(C)cn2)ncc1Br 96011572 YYYRLYZVFPGIJD-UHFFFAOYSA-N 311.187 1.898 0 40 DDAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cccc(Cl)c1 4333945 BZDDDRCHBCDRGP-MRVPVSSYSA-N 323.736 1.476 0 40 DDAB CCN(CC)C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 4304787 NWWZYTQDYWYYKY-UHFFFAOYSA-N 309.391 1.308 0 40 DDAB O=C(NC[C@H]1CCOC1)C1=NN(c2ccccc2)C(=O)CC1 65458474 WYAOSSKPNGODKW-GFCCVEGCSA-N 301.346 1.322 0 40 DDAB Cc1cccc(NC[C@@H]2CCN(CCCC(=O)NC(N)=O)C2)n1 65575371 FCUXYLANBNENBH-ZDUSSCGKSA-N 319.409 1.099 0 40 DDAB COc1ncnc2c1CN(Cc1cc(=O)n3ccccc3n1)CC2 65595935 QOSMUJGYHADHPP-UHFFFAOYSA-N 323.356 1.051 0 40 DDAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1C(=O)CNC1=O 65781238 GGMMPFJNGYEKRU-LLVKDONJSA-N 319.361 1.270 0 40 DDAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)NC(N)=O 6643182 ARXQANKDYIPPBD-SCSAIBSYSA-N 306.105 1.129 0 40 DDAB CC(C)N(CC(C)(C)O)C(=O)Cc1ccc(-n2cnnn2)cc1 84597237 CEDGNZXVVQSWSR-UHFFFAOYSA-N 317.393 1.213 0 40 DDAB CC(C)C[C@@H](C)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 87896012 CYGCYCVUUKDPIG-SECBINFHSA-N 302.371 1.638 0 40 DDAB Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc2ncccc2c1 66815233 CHVKTVJDKFWVCA-UHFFFAOYSA-N 323.356 1.596 0 40 DDAB CC[C@@H]1CN(C(=O)c2ncoc2C(C)C)C[C@@H]1N1CCOCC1 84735986 QZTYGHUQNAMCFM-KGLIPLIRSA-N 321.421 1.981 0 40 DDAB CCCCNc1nnc(S[C@H](C)C(=O)NC(=O)NC)s1 7974715 HKMZKGQELZHAGX-SSDOTTSWSA-N 317.440 1.686 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)NCC(=O)Nc1cn[nH]c1 71853802 MKLCGVJNCXWEOD-SNAWJCMRSA-N 306.272 1.456 0 40 DDAB CC(C)Oc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 71829573 UHESREIFKXETBK-AAEUAGOBSA-N 305.378 1.595 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)[nH]n1 71823442 MFNUAVSNLTYXMC-AAEUAGOBSA-N 312.373 1.803 0 40 DDAB O=C(CCn1cncn1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71821372 ARBWROYPEBHAQC-AWEZNQCLSA-N 320.780 1.922 0 40 DDAB Cc1ccc(-c2cc(Cn3nc(C(N)=O)ccc3=O)on2)cc1 71803678 MIMJONZDOTYFDM-UHFFFAOYSA-N 310.313 1.354 0 40 DDAB O=C(NCC1CCC1)N1CCN(C(=O)c2cccc(O)c2)CC1 69322571 JPFZWEJAEAYOGN-UHFFFAOYSA-N 317.389 1.660 0 40 DDAB NC(=O)c1cc(NC(=O)c2ccc3c(c2)CCC3)cc(C(N)=O)c1 8402100 KAFSEQNQTRKJNW-UHFFFAOYSA-N 323.352 1.625 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2cncn2)on1 69510108 FPHXPXSFPVCSNL-NWDGAFQWSA-N 304.354 1.066 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 69640727 NRXNVNFXJZZBNA-CYBMUJFWSA-N 318.398 1.960 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@@H](n2ccnc2)C1 69626756 XYXOSDFRWYDCQJ-JKSUJKDBSA-N 318.421 1.838 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2occc21 83984847 IMZYFDATMFZCFP-NEPJUHHUSA-N 312.391 1.197 0 40 DDAB COCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C 8682073 DTOOQGAIGJDBNZ-AWEZNQCLSA-N 304.346 1.846 0 40 DDAB CCOc1ccccc1OCC(=O)Nc1c(C(N)=O)n[nH]c1C 69817363 CADWSAFEPAGFPQ-UHFFFAOYSA-N 318.333 1.233 0 40 DDAB CCS(=O)(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 69814943 ICBGCWCXTMPXTP-NSHDSACASA-N 318.389 1.869 0 40 DDAB O=C1C[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1 18271272 GRPOMIIPZZVKAO-LBPRGKRZSA-N 308.765 1.039 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)cn1 72255037 REMUTUPPCPXYSW-HNNXBMFYSA-N 322.372 1.978 0 40 DDAB CC(C)CC[C@@](C)(O)CNC1CCN(S(C)(=O)=O)CC1 95968330 VOZCGVUFNKWSOF-CQSZACIVSA-N 306.472 1.187 0 40 DDAB C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 74448251 MBMYFKJLJAGERE-DZGCQCFKSA-N 318.421 1.166 0 40 DDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)cn1 9909894 LUJDAVMBUDGUKG-UHFFFAOYSA-N 319.748 1.999 0 40 DDAB COC[C@H]1CCCN1C(=O)Cn1cc(-c2ccccc2)nn1 89409938 OQOVURFRKKDBEP-CQSZACIVSA-N 300.362 1.583 0 40 DDAB C[C@@H]1OCC[C@H]1NC[C@H](C(=O)N1CCOCC1)c1ccccc1 89550702 CWLDCIIEARPQCI-BHYGNILZSA-N 318.417 1.396 0 40 DDAB CC1(C)CCC[C@@H]1NCCS(=O)(=O)NC[C@H]1CCCCO1 89596690 CGICRVDOFCTTGW-KGLIPLIRSA-N 318.483 1.643 0 40 DDAB CN(C[C@@H](Cc1ccccc1)NC(=O)C1CC1)C(=O)C1CC1 75140392 MZDAKKIZYDMMTA-MRXNPFEDSA-N 300.402 1.992 0 40 DDAB CCCCCS(=O)(=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1 89897373 SLLRQEONJOYYSN-GJZGRUSLSA-N 318.483 1.428 0 40 DDAB COc1cc(CCC(=O)N(C)C[C@H](C)C(=O)O)cc(OC)c1 89895803 ZFAZUBGYAAXMHN-NSHDSACASA-N 309.362 1.816 0 40 DDAB CCCc1noc(CCCC(=O)NC[C@H](O)c2ccncc2)n1 89960502 WDZGONNEUKVDDD-ZDUSSCGKSA-N 318.377 1.590 0 40 DDAB O=C(COC1CCCCC1)Nc1cccnc1-n1cncn1 63445995 BYURWWFJGNXJAO-UHFFFAOYSA-N 301.350 1.950 0 40 DDAB CCCn1c(N)c(-c2csc(C3CC3)n2)c(=O)n(C)c1=O 28334761 VCKZPBXXLZCONG-UHFFFAOYSA-N 306.391 1.540 0 40 DDAB CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1NCCO 62718760 WALLKMKOEZPDGV-UHFFFAOYSA-N 320.345 1.833 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 521402338 XQZYVALCURSSDN-CIUDSAMLSA-N 311.411 1.262 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1 4677050 RIQLMDXNQFFCCH-KBPBESRZSA-N 321.354 1.152 0 40 DDAB biogenic Cc1cc(C)n(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)n1 72351110 BDKAGEZBORRXPP-UHFFFAOYSA-N 309.395 1.249 0 40 DDAB Cc1nc([C@H]2CCCN2CC(=O)NCCc2ccsc2)no1 75573097 LQUSIBSWWQWHLN-CYBMUJFWSA-N 320.418 1.935 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccco2)C[C@@H](C)O1 72238384 MUBUEJVNWLAPBH-SCRDCRAPSA-N 306.362 1.406 0 40 DDAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCN(C(=O)CN)C2)n1 72384453 YLSLINSFGSIPIS-CYBMUJFWSA-N 312.373 1.852 0 40 DDAB CCOC(=O)C(=O)Nc1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 36657813 VHEUGIYZKQQAEG-VIFPVBQESA-N 302.330 1.585 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 72238233 WLAQCEHUDAEDFR-ZBFHGGJFSA-N 304.390 1.667 0 40 DDAB COc1ccc(CN(C)C(=O)C2=NN(C)C(=O)CC2)c(OC)c1 69660515 MNPBPETZSCXDFX-UHFFFAOYSA-N 319.361 1.270 0 40 DDAB CCCn1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cn1 186313302 CFIVXIBYWXVWAE-CYBMUJFWSA-N 302.382 1.552 0 40 DDAB CCN(C)[C@@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1 78402293 GGKVIIMXENMBKP-OAHLLOKOSA-N 324.446 1.373 0 40 DDAB CN(C(=O)CN1CCC[C@@H](c2ccn[nH]2)C1)c1nccs1 72270745 ZIHVNLNSJUWGOL-LLVKDONJSA-N 305.407 1.709 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2cc(C(=O)O)co2)no1 568980675 JNVRSVRRXUYQHV-UHFFFAOYSA-N 300.292 1.095 0 40 DDAB O=C1CNC(=O)N1CCCN[C@@H]1CCC[C@@H]1c1ccccc1 133632640 IWDCSVYZEXCWNF-HUUCEWRRSA-N 301.390 1.854 0 40 DDAB Cc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 80415355 VTPOTKYZRJNQCY-UHFFFAOYSA-N 318.295 1.867 0 40 DDAB CN(C(=O)[C@H]1Cc2cc(F)ccc2O1)C1CCS(=O)CC1 81833787 GYTJFVWSUIRXBD-CURUXHCOSA-N 311.378 1.499 0 40 DDAB C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCCc2nn(C)cc21 573782982 LZQAEKBVISVTLT-YGRLFVJLSA-N 312.439 1.362 0 40 DDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)Cn1ccnc1 81552344 PZYYTPJLEBGOTE-SNVBAGLBSA-N 317.393 1.391 0 40 DDAB CN(C)CCn1ccc(NC(=O)NC[C@@H](O)c2ccsc2)n1 96435346 QHYTUJBTDIWSHK-GFCCVEGCSA-N 323.422 1.361 0 40 DDAB C[S@@](=O)C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1 96445392 ZKOFIIVNOJQABW-ASSNKEHSSA-N 304.371 1.225 0 40 DDAB c1cncc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)c1 96056254 POUCMKAZIIYYGZ-OKZBNKHCSA-N 317.433 1.251 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N=c1nc[nH]n1C(C)(C)C 332140613 JFFWRWQQUKPYAU-ZWNOBZJWSA-N 316.361 1.622 0 40 DDAB Cc1cc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)no1 97953628 IISMYESZCKSFQE-HRCADAONSA-N 319.405 1.346 0 40 DDAB Cc1ccc(N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)nn1 96065453 KSIVBJYZOQELPT-KEYYUXOJSA-N 312.373 1.995 0 40 DDAB COCC(=O)N1CC[C@]2(CC(=O)N(c3ccccc3C)C2)C1 96238631 HYNKIFCWFWWAIF-KRWDZBQOSA-N 302.374 1.597 0 40 DDAB COc1cccc(C[C@@H](C)NC(=O)N2CCNC(=O)[C@@H]2C)c1 334024356 DEHZPMPGNXTMNI-NEPJUHHUSA-N 305.378 1.156 0 40 DDAB O=C1C[C@]2(CCN(C(=O)c3cnccn3)C2)Oc2ccccc21 96367170 NLJRDWRBWLCLCA-KRWDZBQOSA-N 309.325 1.727 0 40 DDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96041701 UCQSRHWAEACDOB-BFHYXJOUSA-N 312.391 1.042 0 40 DDAB COc1ccc(N2CCC[C@H](C(=O)NCCC(C)C)C2)nn1 95480044 YBJDYXDRAYOBSY-ZDUSSCGKSA-N 306.410 1.864 0 40 DDAB O=C(c1ncccn1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247840215 FCOGRDLGARAEJO-GFCCVEGCSA-N 305.403 1.603 0 40 DDAB CC(C)N1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 248023001 VGDSNBBGWRUTAQ-HNNXBMFYSA-N 306.410 1.191 0 40 DDAB CCN(CC)C(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 243419658 MSWOGUSKYWKUJG-UHFFFAOYSA-N 316.398 1.456 0 40 DDAB CCNC(=O)Nc1cccc(NC(=O)c2ccc[nH]c2=O)c1 63698891 IWEYQCPFHKFDMM-UHFFFAOYSA-N 300.318 1.769 0 40 DDAB O=C(CCc1cccc([C@@H]2CCCNC2)n1)Nc1nncs1 257326570 WXRMWOJSMBMPMP-LLVKDONJSA-N 317.418 1.971 0 40 DDAB COCCN1CCc2onc(-c3cccc(CN)c3)c2C1=O 257307364 SYHYQOIBYLCAPQ-UHFFFAOYSA-N 301.346 1.445 0 40 DDAB C[C@@]1(O)CCN(C(=O)C2CCOCC2)C[C@H]1Oc1ccccc1 257323921 WMKWHPAOYLDZLU-SJLPKXTDSA-N 319.401 1.844 0 40 DDAB CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)C[C@H](C)OC 253432865 OXCUVJGHNAOJTQ-STQMWFEESA-N 315.439 1.795 0 40 DDAB CN(C)[C@H]1[C@H](Nc2ncccn2)C[C@@H](Oc2ccccc2)[C@@H]1O 257292479 QLRHNSYYCGNZLS-WCVJEAGWSA-N 314.389 1.400 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2nccn2C)n1 257305390 SPUKYPABDXMTTK-AWEZNQCLSA-N 300.410 1.609 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3cscn3)CCO2)nc(C)n1 257273135 NFJZCQUKZFNXBX-CYBMUJFWSA-N 304.375 1.764 0 40 DDAB COC[C@]1(C(=O)O)CCN(C(=O)c2cc(F)ccc2OC)C1 262976907 KJNHAYUPUIYOQZ-HNNXBMFYSA-N 311.309 1.398 0 40 DDAB O=C(c1ccccn1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104239 TVYKMOPZYBAHCV-UHFFFAOYSA-N 320.345 1.519 0 40 DDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCO[C@H](C)C1 64335522 UKJOXKYUTMSIDA-SNVBAGLBSA-N 318.377 1.232 0 40 DDAB NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 140910548 NFQIPRZXEISFGO-UHFFFAOYSA-N 318.767 1.091 0 40 DDAB O[C@@H](CN[C@@H]1CCc2ncnn2C1)COc1ccc(Cl)cc1 69875519 PGWPXZZEVSNHTP-OLZOCXBDSA-N 322.796 1.276 0 40 DDAB CC(C)(C)c1nc(CN2CCO[C@H](Cn3cncn3)C2)cs1 69969050 BGLFPNLPOFRRLW-ZDUSSCGKSA-N 321.450 1.933 0 40 DDAB Cc1cnn(CCNCC(=O)NCCOc2ccc(F)cc2)c1 72253136 NFJLCLYHLSVFDO-UHFFFAOYSA-N 320.368 1.115 0 40 DDAB Cc1csc(CNC(=O)c2ccc(N3CCOCC3)nc2)n1 44894953 TZCZLCFKNRDCEW-UHFFFAOYSA-N 318.402 1.613 0 40 DDAB COCCNc1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 44978921 UFLCRNARSZEMKC-UHFFFAOYSA-N 313.404 1.667 0 40 DDAB O=C(NCCc1ccc2c(c1)CCO2)NC[C@H]1CCC[C@@H]1O 74261411 RNQQBLNFQJFESZ-CABCVRRESA-N 304.390 1.624 0 40 DDAB Cc1nnc(NC(=O)NCCNC(=O)c2ccc(F)cc2)s1 56514870 LZUWFEYIBHYPNJ-UHFFFAOYSA-N 323.353 1.537 0 40 DDAB COC[C@H](O)CN1CCc2cc(Br)ccc2C1 192249640 WJYRIYZNYBHIDC-CYBMUJFWSA-N 300.196 1.815 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC(Cn3cncn3)C2)cc1 952990127 VJBCVQLZFQRQSU-VOTSOKGWSA-N 318.402 1.519 0 40 DDAB CCOc1cccc(NC(=O)CSc2nccc(=O)[nH]2)c1 5009361 BTRIPYURQDYRRW-UHFFFAOYSA-N 305.359 1.899 0 40 DDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)C(C)C)CC3 13227964 QCXPAXANCPKHAQ-UHFFFAOYSA-N 305.403 1.807 0 40 DDAB CC(=O)N[C@H](CSCC(=O)c1ccc(Cl)cc1)C(=O)O 16320984 FMKVGVMYQCBABL-LLVKDONJSA-N 315.778 1.845 0 40 DDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccnn1C 19658616 FUFINJTZNWWHPB-UHFFFAOYSA-N 320.418 1.233 0 40 DDAB Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](c1ccc(F)cc1)CC3=O 19819869 YPYNNDHPKGLQOC-SECBINFHSA-N 324.315 1.952 0 40 DDAB COc1ccc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937384 MWULQOVBYDDLJO-UHFFFAOYSA-N 301.346 1.254 0 40 DDAB O=C1c2c(O)cc(O)cc2O[C@@H](c2c(O)cccc2O)[C@H]1O 14643341 NBQYBZYBTNQEQG-GJZGRUSLSA-N 304.254 1.186 0 40 DDAB biogenic CCN1C(=O)C(=O)N(Cc2cccc(Br)c2)C1=O 3503902 ODXNDALAAHDIQT-UHFFFAOYSA-N 311.135 1.760 0 40 DDAB CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 4979945 CTCBPSKQQLNBIW-VXGBXAGGSA-N 310.419 1.713 0 40 DDAB Cc1ccnc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)n1 1888854148 APVFAXHJRNHHBG-UHFFFAOYSA-N 312.377 1.485 0 40 DDAB COc1ccc([C@@H]2NC(=S)Nc3nc(C)cc(=O)n32)cc1 2033970153 GZTLZIATYZDZEC-GFCCVEGCSA-N 302.359 1.407 0 40 DDAB COc1ccc(CN2CCN(c3ncc(C)cn3)C[C@@H]2C)cn1 2086910640 CPOYPIJOSNEQMH-AWEZNQCLSA-N 313.405 1.899 0 40 DDAB CN(C)Cc1cn2c(n1)CN(C(=O)Cc1cccc(F)c1)CC2 1565541980 PPYBJRSWNNGALW-UHFFFAOYSA-N 316.380 1.669 0 40 DDAB Cc1ccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)c2=S)cc1 4653580 XNPLFXSRZOREKO-WXHSDQCUSA-N 318.358 1.362 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 4941425 GUTKNNXYZDOJIP-CQSZACIVSA-N 318.373 1.735 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)n1 31634831 NIQLOVVTLZWWMV-UHFFFAOYSA-N 322.390 1.510 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1ccc(-n2cccc2)cc1 107286228 LKCHTBOQDIGEEF-DZKIICNBSA-N 300.358 1.339 0 40 DDAB CN1CC(=O)N(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1=O 51260343 OMXWJQDFKVNRRV-JTQLQIEISA-N 302.252 1.633 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2cccs2)cc1 32832446 PMRBYYKQCOCRNS-UHFFFAOYSA-N 310.400 1.467 0 40 DDAB O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=S)Nc1ccccc1 22405225 YZJAJLZKYPOXCK-GFCCVEGCSA-N 302.359 1.618 0 40 DDAB C[C@H](C(=O)Nc1cccc(N2CCNC2=O)c1)n1cncn1 47042174 RSJVFLZWCKDLGR-SNVBAGLBSA-N 300.322 1.007 0 40 DDAB CN1C(=O)[C@](O)(CC(=O)c2cc(O)ccc2O)c2ccccc21 120343 CQPGVDJOLZVQBY-KRWDZBQOSA-N 313.309 1.535 0 40 DDAB O=C(NCCc1cccc(O)c1)C(=O)Nc1ccc(Cl)nc1 77833851 UBAQAPRDCJJVTC-UHFFFAOYSA-N 319.748 1.738 0 40 DDAB COCc1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 78455988 ZQRGJWGSBBVYED-CQSZACIVSA-N 300.362 1.902 0 40 DDAB Cc1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1C 61719617 ORJIHZPAUQZSRU-UHFFFAOYSA-N 318.402 1.834 0 40 DDAB NC(=O)Cc1cccc(OCc2nnnn2-c2ccccc2)c1 78990597 VWHPVOBNFHDNLF-UHFFFAOYSA-N 309.329 1.269 0 40 DDAB O=C(C[C@H](NCc1cccnc1)C(=O)O)NCc1ccccc1 2710406 QENFYRLUISJSOP-HNNXBMFYSA-N 313.357 1.331 0 40 DDAB CC[C@@H](C(=O)NC[C@@H]1CCCO1)n1cc(Br)cn1 2804209 ZQCQIBXEJWXWHT-QWRGUYRKSA-N 316.199 1.892 0 40 DDAB CCCC[C@]1(CCO)C(=O)N=C(Nc2ccccc2)NC1=O 4822858 YHAOVUIDJZDZGJ-UHFFFAOYSA-N 303.362 1.670 0 40 DDAB CCOCCCNC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 6758542 RGEKJBBOTYKLHD-UHFFFAOYSA-N 322.361 1.345 0 40 DDAB CCN(CC)C(=O)C(=O)N1CCN(Cc2ccccc2)CC1 6948151 GLCABISMYUXYIZ-UHFFFAOYSA-N 303.406 1.199 0 40 DDAB Nc1cc(N)nc(SCCC(=O)N2CCc3ccccc32)n1 12528593 COFJFFKMJRJIIG-UHFFFAOYSA-N 315.402 1.713 0 40 DDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=S)NC1CC1 47982184 IQBCXRKNOCNTML-SECBINFHSA-N 313.448 1.364 0 40 DDAB COC(=O)c1ccc(CNC(=O)CSc2ncccn2)cc1 3225726 GZIXWTAJOFVEOL-UHFFFAOYSA-N 317.370 1.672 0 40 DDAB c1cnc(O[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 107228160 KCERBHXTAMKJKU-CJNGLKHVSA-N 313.361 1.474 0 40 DDAB CCOc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1 55786892 NEBPIQQIAFHGLF-UHFFFAOYSA-N 318.377 1.110 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1 25410520 DXGCNADPORGIHM-CYBMUJFWSA-N 315.417 1.157 0 40 DDAB COc1ccc(Oc2ccc(CNS(C)(=O)=O)cn2)cc1 56068582 UVALQNCHYPBZIU-UHFFFAOYSA-N 308.359 1.932 0 40 DDAB O=C(CN1C[C@H](O)C[C@H]1C1CCCCC1)NCc1ccccn1 107321413 QOZFSZUUCHYSCK-SJORKVTESA-N 317.433 1.713 0 40 DDAB CC(C)c1ccc(NC(=O)[C@@]2(NC=O)CN3CCC2CC3)cc1 35170812 LXYQBOPXSFCPIF-GOSISDBHSA-N 315.417 1.959 0 40 DDAB COCCNC(=O)NC(=O)COc1ccc(C(F)(F)F)cc1 12694804 JWISCZRMMJYZBF-UHFFFAOYSA-N 320.267 1.556 0 40 DDAB COC(=O)[C@@](O)(NC(=O)c1cccc(Cl)c1)C(F)(F)F 1828247 HXAOEOAXQJKUDR-JTQLQIEISA-N 311.643 1.494 0 40 DDAB CC(=O)N1CCCN(CCn2c(=O)oc3ccccc32)CC1 26910577 GSCIHLHURYUWEN-UHFFFAOYSA-N 303.362 1.149 0 40 DDAB O=C(COC(=O)c1cnc2ccccc2n1)NCc1ccco1 8849717 VQQITSRZYFNLER-UHFFFAOYSA-N 311.297 1.696 0 40 DDAB CC(=O)[C@H]1[C@@H](c2ccc(O)cc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 35882831 SABJRAZCMVQGKK-QZWWFDLISA-N 304.342 1.610 0 40 DDAB biogenic O=c1cc(CNCc2ccc3c(c2)OCO3)nc2ccccn12 48261250 WKYGURWMTONULO-UHFFFAOYSA-N 309.325 1.713 0 40 DDAB C[C@@]1(c2ccc(I)cc2)NC(=O)NC1=O 57218717 VDFVAOCDEKCSSY-JTQLQIEISA-N 316.098 1.346 0 40 DDAB CCOC(=O)C1=C(CN(C)Cc2cccc(F)c2)NC(=O)NC1 57882525 ZOBZASOWDUZJKH-UHFFFAOYSA-N 321.352 1.388 0 40 DDAB CNC(=O)NC(=O)CNc1ccc(C(=O)NC(C)C)cc1C 58155807 RLJKJHYCKJLCKX-UHFFFAOYSA-N 306.366 1.001 0 40 DDAB NC(=O)C1CCN(c2ccc(NC(=O)c3cc[nH]n3)cc2)CC1 58157920 KGNSQBAVXBIREF-UHFFFAOYSA-N 313.361 1.364 0 40 DDAB Cc1cc(CN2CCN(CCn3c(C)csc3=O)CC2)on1 44890661 UKHUPGWPNIEQMZ-UHFFFAOYSA-N 322.434 1.332 0 40 DDAB Cc1csc(=O)n1CCC(=O)NC[C@H]1Cc2ccccc2O1 44912878 JLSQXCLDIDHPBM-CYBMUJFWSA-N 318.398 1.728 0 40 DDAB Cc1nc(CNC(=O)c2ccnc(-n3cncn3)c2)cs1 58330047 HNTWUZCFOOJUBL-UHFFFAOYSA-N 300.347 1.357 0 40 DDAB CCCCOc1ncccc1CNC(=O)c1nccnc1N 58315223 ZZDXPEMIQGTONX-UHFFFAOYSA-N 301.350 1.563 0 40 DDAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ncccn1 3351012 GLSMJBVDJXZFCC-QPJJXVBHSA-N 301.277 1.811 0 40 DDAB CCc1cc2c(=O)n(CC(=O)NCC(F)(F)F)cnc2s1 28032746 BLZQPHVMYWZZCA-UHFFFAOYSA-N 319.308 1.699 0 40 DDAB CN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 22033198 PUHNHBUEZPOYSX-UHFFFAOYSA-N 301.390 1.310 0 40 DDAB COc1ccccc1[C@H]1N=C(N)Nc2nc(=O)c3ccccc3n21 22239228 LLUOLGRIDWVZKS-AWEZNQCLSA-N 321.340 1.692 0 40 DDAB Cn1cc(C(=O)NCCCn2ccnc2)c(=O)c2ccccc21 22234260 JCSMXITXVRHDFO-UHFFFAOYSA-N 310.357 1.555 0 40 DDAB O=C(c1cn2cccnc2n1)N1CCN(c2ccccn2)CC1 36391618 LVGHJZFINBCSMU-UHFFFAOYSA-N 308.345 1.087 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)on1 45683061 NVLXBTMFDFKNKS-UKRRQHHQSA-N 322.409 1.378 0 40 DDAB COc1ccc(-c2nc(COC(=O)c3cnn(C)c3)no2)cc1 24048051 ADRCUNFNADQNGI-UHFFFAOYSA-N 314.301 1.836 0 40 DDAB NC(=O)C1(c2ccc(Br)cc2)CC2(C1)OCCO2 113364908 WXTXMVCDWTYVCR-UHFFFAOYSA-N 312.163 1.709 0 40 DDAB COC(=O)CCCN1CCN(C(=O)Cc2cccc(F)c2)CC1 95397872 BUHNYXXYPKEBQD-UHFFFAOYSA-N 322.380 1.466 0 40 DDAB CC(C)c1nc(CC(=O)NCCCN2CCCC2=O)cs1 46796122 VMJQEEADRPTLBC-UHFFFAOYSA-N 309.435 1.938 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CCn1[nH]c(=O)ccc1=O 12809923 NUQUMTGSCCMEMC-UHFFFAOYSA-N 323.736 1.227 0 40 DDAB COc1ccc2c(C)c(CC(=O)N(C)CC(=O)O)c(=O)oc2c1 3863640 UDSYKAPNNUJZLF-UHFFFAOYSA-N 319.313 1.196 0 40 DDAB biogenic O=C(NC[C@@H]1COCCO1)c1ccc(-c2ccccc2)[nH]c1=O 65551996 PVKSEALVUWDTHD-CYBMUJFWSA-N 314.341 1.187 0 40 DDAB O=C(NCC(=O)N1CCc2sccc2C1)Nc1ccncc1 65565061 IYTFFQRRDQKBMX-UHFFFAOYSA-N 316.386 1.850 0 40 DDAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)on1 65625126 LNTBMXXQSTXKSU-CQSZACIVSA-N 313.357 1.603 0 40 DDAB O=C(Nc1ccc(C(=O)O)c(O)c1)C(=O)NC1CCCCC1 5511699 GWDNNKOWPLRUFQ-UHFFFAOYSA-N 306.318 1.478 0 40 DDAB CC(C)NC(=O)CNC(=O)CSc1nc2ccccc2[nH]1 7221726 BZRWCINUHLPGNZ-UHFFFAOYSA-N 306.391 1.296 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7377012 OQCDMJRDIGYXQP-MRVPVSSYSA-N 313.297 1.898 0 40 DDAB Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCOC2)cnc1Cl 96454055 YNFJLZWOGIMSKR-JTQLQIEISA-N 304.799 1.700 0 40 DDAB O=C(NC[C@H](O)CO)Nc1ccc(Br)c(Cl)c1 91181548 ZJGUBFNQQITTEJ-ZETCQYMHSA-N 323.574 1.577 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCCCC1 69349383 GNNQGVXSOBNQAJ-OAHLLOKOSA-N 324.469 1.561 0 40 DDAB CN(C)S(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Cl 8313249 NKCUKDVLWQYCPU-UHFFFAOYSA-N 302.783 1.939 0 40 DDAB CCN(CCNC(=O)c1ccccc1OCCOC)C1CC1 69417440 HDXSJDWNOWBAEI-UHFFFAOYSA-N 306.406 1.926 0 40 DDAB CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)nc1 71857893 KYVAIDCFFQJEAO-GXTWGEPZSA-N 317.389 1.563 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCCO2 71829876 UGSVOEXDYWRARS-WCQYABFASA-N 318.373 1.113 0 40 DDAB COc1ccc(NC(=O)CCNC(=O)c2ccsc2)cn1 17296749 WQOPDUPWYQXFBL-UHFFFAOYSA-N 305.359 1.910 0 40 DDAB CCc1nnc2n1CCN(C[C@H](O)c1ccc(F)c(F)c1)C2 71871953 SFBAYQDOOWJODU-ZDUSSCGKSA-N 308.332 1.668 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)CCn1cnc2ccccc2c1=O 69666736 HCWQLVOEEQMJGW-GJZGRUSLSA-N 316.357 1.897 0 40 DDAB CCC(CC)[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N1CCOCC1 84727390 GLZHLDLTYQNFMQ-OAHLLOKOSA-N 321.421 1.242 0 40 DDAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCO1 72278015 NEIJWHKTCZLNPW-KBPBESRZSA-N 309.410 1.352 0 40 DDAB NC(=O)c1cn[nH]c1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 95406952 XAJDUEBNQFSDPX-CXAGYDPISA-N 310.357 1.741 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2ccncc2Cl)CC1 95408602 TWWXGJUVUVJAEQ-GFCCVEGCSA-N 310.829 1.770 0 40 DDAB CNC(=O)c1cccnc1NCCNC(=O)Cc1ccccc1 95403141 ZJFBRVXUSUPXRN-UHFFFAOYSA-N 312.373 1.212 0 40 DDAB CC(=O)N[C@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1 95953826 VPIJMECFRHCRRT-HNNXBMFYSA-N 310.419 1.159 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@@H](C)O)cc1 95993523 GMDIKSOURPJQAV-KFUCAUQGSA-N 316.401 1.821 0 40 DDAB Cc1ccoc1C(=O)N1CCC[C@@H](n2cc(C(=O)O)cn2)C1 95982563 VNGUJIPYNIATII-GFCCVEGCSA-N 303.318 1.960 0 40 DDAB CN1CCO[C@@H](C(=O)NC2(c3ccc(F)cc3F)CCC2)C1 95977839 VWWVBRRCOGFTBT-CQSZACIVSA-N 310.344 1.791 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@H](C)O1 95990980 UTXCIIONLYWMFQ-DTORHVGOSA-N 324.324 1.898 0 40 DDAB O=C(CCCc1nc(C2CC2)no1)N1CCN(CC2CC2)CC1 89598169 MJSPEEKNUPUHLZ-UHFFFAOYSA-N 318.421 1.824 0 40 DDAB Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(=O)[nH]1 75121740 QAMOWVQNJCXDHB-OAHLLOKOSA-N 317.364 1.855 0 40 DDAB Cn1ccnc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1 89761478 SHMCKPFVOOKCJV-UHFFFAOYSA-N 324.388 1.792 0 40 DDAB Cn1cc(/C=C/C(=O)Nc2cnn(CC(N)=O)c2)c2ccccc21 76065577 PZODAWHSQQJXFH-VOTSOKGWSA-N 323.356 1.512 0 40 DDAB NC(=O)CSc1nc(O)cc(=O)n1-c1cccc(Cl)c1 408888834 BOIXUURLEGXEQR-UHFFFAOYSA-N 311.750 1.169 0 40 DDAB N=c1[nH]c2c(s1)C[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1O)CC2 516187529 UHJSYTAQNFDLJJ-JBLDHEPKSA-N 309.435 1.470 0 40 DDAB CCOC[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218487302 ONIIGKKBVHFCNV-RWMBFGLXSA-N 303.811 1.584 0 40 DDAB CN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392864 NGKJFHJMXVQKKA-OAHLLOKOSA-N 319.405 1.452 0 40 DDAB COc1ccc(CNc2nc(N)nc3[nH]cnc23)c(OC)c1 32124052 JIEINQPPXGNNJJ-UHFFFAOYSA-N 300.322 1.564 0 40 DDAB biogenic CN1C(=O)CC[C@@H]1Cn1cnc2sc3c(c2c1=O)CCCC3 32517980 JTVLGSXVQPFQPF-SNVBAGLBSA-N 317.414 1.958 0 40 DDAB CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccoc1 124422080 GBOIFSKNYRCSIK-YPMHNXCESA-N 310.419 1.884 0 40 DDAB C[C@H](NC(=O)c1nc(N(C)C)nc(=N)[nH]1)c1c(F)cccc1F 565546713 GHELGXDFZQAKQJ-ZETCQYMHSA-N 322.319 1.119 0 40 DDAB Cc1cc(C)n(Cn2ccc(C(=O)NC[C@H]3CCCO3)n2)n1 35670706 DVAKAUMATWEHFP-CYBMUJFWSA-N 303.366 1.111 0 40 DDAB CC(C)(C)c1noc(-c2ccc3nnc(CC(=O)O)n3c2)n1 70451549 QLGBSKFCCVTBHL-UHFFFAOYSA-N 301.306 1.704 0 40 DDAB Cc1noc([C@@H](C)OC(=O)c2sccc2-n2cnnn2)n1 78985963 UIJFEELJSGHVSP-ZCFIWIBFSA-N 306.307 1.333 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C)C2 195531109 GPBPSBZOSKBSKF-SDZXGBQZSA-N 321.442 1.975 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)NCc1cnn2c1CCCC2 225613073 GNDJQAGDYNZMLK-UHFFFAOYSA-N 309.395 1.038 0 40 DDAB COC(=O)Cc1ccccc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 225488656 SGWUHMRUTHRZAR-XJKSGUPXSA-N 316.401 1.568 0 40 DDAB CC[C@H]1CN(C(=O)[C@H](N)c2ccccc2)CCN1CC(F)F 195554944 MEBGBWUECPWZNR-DZGCQCFKSA-N 311.376 1.874 0 40 DDAB Cc1ccc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1 528606000 AVOXZRIGWWBXSW-UHFFFAOYSA-N 308.447 1.913 0 40 DDAB CN(C)CCN1CCO[C@@H]2CCN(Cc3cccs3)CC[C@@H]21 96249258 YGYJZNXSFYERDM-DLBZAZTESA-N 323.506 1.975 0 40 DDAB O=C(N1CCCC1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188408 DYPXAIXKDXKXBS-OAHLLOKOSA-N 317.437 1.627 0 40 DDAB O=C(CC1CC1)N1C[C@H]2C(=O)N(Cc3cccnc3)CC[C@H]2C1 96082018 TUXLCXAUQQEZIE-JKSUJKDBSA-N 313.401 1.689 0 40 DDAB Cc1ccc(=O)n(Cc2cn(-c3ccc(Cl)cc3)nn2)n1 96467318 CGXISWQSATYFOY-UHFFFAOYSA-N 301.737 1.834 0 40 DDAB CN(c1cccnn1)C1CCN(C(=O)NCC(F)(F)F)CC1 96500740 JNHHEFCVGNPOPJ-UHFFFAOYSA-N 317.315 1.649 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H](N2CCCC2)C[C@@H]1C(=O)O 96069010 KMVILEHQMGKYTH-UKRRQHHQSA-N 307.394 1.805 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3cscn3)CC2)C1=O 96157772 PXGXYNCBALAGEI-UHFFFAOYSA-N 323.418 1.244 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 96219100 KXSBFXDTVSURNO-XJKSGUPXSA-N 302.378 1.599 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3cccnc3)C2)C1 96051949 CPEBGDBPPODJBJ-IRXDYDNUSA-N 305.422 1.251 0 40 DDAB Cc1cnn(CC(=O)N2CCC(c3ccnc4ccnn34)CC2)c1 257202556 AMHWEDILTRLUON-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB Cc1cc(C)c(S(=O)(=O)n2cncn2)cc1Br 256055544 KLOQTNWTTFNIFM-UHFFFAOYSA-N 316.180 1.894 0 40 DDAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(CCC(=O)O)n1 257320966 VZNVDCKBJNCWOJ-LBPRGKRZSA-N 307.350 1.112 0 40 DDAB NC(=O)C1CN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)C1 257217847 DAWDVGJXZYCBCW-UHFFFAOYSA-N 313.332 1.369 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257218944 DEYYHCNOHNNFMU-ZDUSSCGKSA-N 302.378 1.113 0 40 DDAB COC(=O)[C@@H]1CCc2nnc(CCOc3ccccc3)n2C1 601044810 REIYFLAOGQWUOH-GFCCVEGCSA-N 301.346 1.635 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)N2CCC3(CCCCC3)C2)C1 257315933 VDJDDJHJPZKALI-MRXNPFEDSA-N 308.422 1.807 0 40 DDAB CC(=O)N1CCC[C@H]2N(C(=O)c3ccncn3)CCC[C@@]21C 257202389 ALORVYJSEBQEQR-ZBFHGGJFSA-N 302.378 1.482 0 40 DDAB NC(=O)CCN1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 257326650 WYBMLLDEUVZUHE-SUMWQHHRSA-N 319.380 1.139 0 40 DDAB CC(C)c1ncc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)cn1 257249553 JIWRGAVRGKYUSG-ZDUSSCGKSA-N 301.350 1.537 0 40 DDAB COCCN1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 257285765 PITATSIORCEMBR-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB CN(C)c1cc(CC[C@@H]2CN(Cc3ncc[nH]3)CCO2)ccn1 257284414 PCPKVKVKDXJQGS-OAHLLOKOSA-N 315.421 1.704 0 40 DDAB Cc1noc(C)c1CN1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093168 GPOXTZSRQSGTKQ-CQSZACIVSA-N 313.348 1.981 0 40 DDAB O=C(NC[C@H]1CN(C2CCC2)Cc2ccnn21)N1CCCC1 585111719 GSBMBJREWUMLHG-HNNXBMFYSA-N 303.410 1.598 0 40 DDAB O=C(N1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1)C1(F)CC1 585108624 YVTHBXIMSPPPRE-IUODEOHRSA-N 310.369 1.165 0 40 DDAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N1CCc2ccccc21 585280107 AJXMDVLUTLOEFG-NVXWUHKLSA-N 316.401 1.849 0 40 DDAB CN(C)C(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cc[nH]n1 585290454 DHOCROBOVZRXLD-WMLDXEAASA-N 320.437 1.790 0 40 DDAB COc1ncccc1C(=O)N1CCN(c2nccs2)C(=O)C1 1565522162 JMHOYNXNYONIOE-UHFFFAOYSA-N 318.358 1.036 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCN(c2cccc(Cl)c2)CC1 57383527 ZXNOMUVGRKBZSZ-SNVBAGLBSA-N 310.785 1.045 0 40 DDAB CN(C)C(=O)CNC(=O)N1CCC(Nc2ccccc2F)CC1 78951350 ISCUGEZKQPXHAY-UHFFFAOYSA-N 322.384 1.500 0 40 DDAB CC1(C)C[C@H](NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C(C)(C)O1 90391310 NWHBZTGKGORKTE-AVGNSLFASA-N 318.483 1.640 0 40 DDAB Cc1noc(CN2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1775973594 OTTYDBRCTORALQ-UHFFFAOYSA-N 316.409 1.788 0 40 DDAB C[C@H](Cn1nnc2ccccc21)NC(=O)c1ccc2c(c1)OCO2 12183178 SNPISKGYBLAURH-LLVKDONJSA-N 324.340 1.979 0 40 DDAB CCn1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 14248953 SAGUXBXVWKZSEM-UHFFFAOYSA-N 308.363 1.662 0 40 DDAB Cc1cc(O[C@@H]2CCN(C(=O)Cn3cccc3)C2)cc(=O)o1 206966084 XVSXROAZXGWKHV-CYBMUJFWSA-N 302.330 1.430 0 40 DDAB C[C@H](CN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1nnn[nH]1 156528116 ITSDYFDKZXTEFM-GIPNMCIBSA-N 301.350 1.326 0 40 DDAB C[C@@H](OC(=O)/C=C/c1c(F)cccc1Cl)C(=O)NC(N)=O 5564261 JXYDAOFQZALZOZ-WEWAHIQMSA-N 314.700 1.619 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 39380 GEMKYLLRPDMBTH-ZDUSSCGKSA-N 306.318 1.505 0 40 DDAB O=C(COc1ccc2ccc(=O)oc2c1)NC[C@H]1CCCO1 5222352 WYJKUPPFPZSSRG-CYBMUJFWSA-N 303.314 1.467 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)o2)CC1 22880806 OCDUKOKKWTYPDP-UHFFFAOYSA-N 320.798 1.477 0 40 DDAB O=S(=O)(NCCN1CCCCCC1)c1ccccc1F 24682790 VCPWONQQYNZLJY-UHFFFAOYSA-N 300.399 1.980 0 40 DDAB CN=c1[nH]c([C@H]2CCCN2C(=O)CCOC)c2sccn12 2037838623 RPBVVCWNNNSRBN-SNVBAGLBSA-N 308.407 1.559 0 40 DDAB CN1CC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1=O 1565552075 ONQLIBWGAFBSJP-UHFFFAOYSA-N 303.362 1.637 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCc2ncnc(O)c2CC1 1565555960 KMYBBPUVDUZGIP-UHFFFAOYSA-N 300.318 1.289 0 40 DDAB CCc1ccc(C(=O)N2CC[C@H]3CN(CC)CCO[C@@H]3C2)cn1 1565552970 FIQLPBXEMXHXHT-DOTOQJQBSA-N 317.433 1.827 0 40 DDAB CCOC(=O)c1nnn(-c2nonc2OC)c1-c1ccccc1 91928 YXABGJUZVOQSKH-UHFFFAOYSA-N 315.289 1.503 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 2458392 JQYMIOCQKZLHAF-MDZLAQPJSA-N 316.279 1.805 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1cccc(F)c1 9571007 ASSJUXHJSFVRCY-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB CCCc1nnsc1C(=O)N1CC[C@H](Oc2cnccn2)C1 225794188 MZPJKPUPWIXHDI-JTQLQIEISA-N 319.390 1.574 0 40 DDAB CC(C)NC(=O)CN1CCC(Oc2ccn3nccc3n2)CC1 2298100648 BALGZUUBJPMNLQ-UHFFFAOYSA-N 317.393 1.097 0 40 DDAB CC[C@H](C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O 8481121 MTODZIVDZDTPKB-HZMBPMFUSA-N 317.345 1.012 0 40 DDAB biogenic Cc1cc(S(=O)(=O)N2CC[C@@H](N)C2)ccc1Br 50242035 RQKPLWGOEMNPMW-SECBINFHSA-N 319.224 1.479 0 40 DDAB O=c1/c(=C/c2ccccc2)sc2nc(-c3ccncc3)nn12 79355 VVLXBRCXCLJROC-RAXLEYEMSA-N 306.350 1.761 0 40 DDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@@H]1CCCO1 40497413 TVGUQEZAAXSQOF-ZDUSSCGKSA-N 304.346 1.245 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2cccnc2)N2CCOCC2)o1 40477356 FDTMSYGIICCGBF-OAHLLOKOSA-N 315.373 1.786 0 40 DDAB COc1ccc(Cl)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 40497137 BJXPRQVZLXKOME-SECBINFHSA-N 317.794 1.513 0 40 DDAB CNc1snc(C)c1C(=O)NC[C@H](O)c1ccc(OC)cc1 31569441 FUFQDLKNLKOJLK-LBPRGKRZSA-N 321.402 1.965 0 40 DDAB O=C(CCc1ccco1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 40505332 ZWEWFNPOLAYXBO-HOCLYGCPSA-N 322.405 1.066 0 40 DDAB CN(CC(N)=O)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 40534721 LQPHFXITOODHOK-UHFFFAOYSA-N 323.299 1.496 0 40 DDAB CC1CCC(NC(=O)CN2CCN(c3nccs3)CC2)CC1 21334972 VSBLYYLGADCNAQ-UHFFFAOYSA-N 322.478 1.960 0 40 DDAB CC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 102868606 RXVDQQZIIOZRKZ-MFKMUULPSA-N 303.362 1.432 0 40 DDAB CC(C)Oc1cccc(-c2nnc(SCC(N)=O)n2N)c1 532655 GACRDUHBWMYLOU-UHFFFAOYSA-N 307.379 1.024 0 40 DDAB O=C(NCc1ccoc1)N1CCC(CN2CCOCC2)CC1 47088561 ZVZAWGNQAIGZDE-UHFFFAOYSA-N 307.394 1.533 0 40 DDAB O=C(NCCc1cccs1)c1cc(F)ccc1-n1cnnn1 12388886 RKNDBVGDEKYLHT-UHFFFAOYSA-N 317.349 1.835 0 40 DDAB COc1ccc2cc(C(=O)N3CC[C@H](C(N)=O)C3)c(C)nc2c1 53893415 QTWNYCDRAABKNI-LBPRGKRZSA-N 313.357 1.499 0 40 DDAB O=C(CCc1nc2ccccc2s1)N1CCN(CCO)CC1 78344585 SVIDNTXEHRVVCT-UHFFFAOYSA-N 319.430 1.365 0 40 DDAB Cc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1-n1cnnn1 1342075 DIRVQJVTQFKOHG-NSHDSACASA-N 321.406 1.391 0 40 DDAB COC(=O)CN(Cc1nnnn1-c1ccccc1)CC(C)C 79098164 LXRKBDLDDFUXNH-UHFFFAOYSA-N 303.366 1.293 0 40 DDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@H]13)O2 4044227 KNDMWRNUGYJRIY-XIJZRVNUSA-N 313.353 1.703 0 40 DDAB biogenic NC1=N[C@]2(N=C(Nc3ccc(F)cc3)N1)C(=O)Nc1ccccc12 19327173 LHKBHIZVLYMZQK-MRXNPFEDSA-N 324.319 1.317 0 40 DDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1cccc(Cl)c1 4279999 PGJYNPIEYJEMGJ-LLVKDONJSA-N 300.742 1.094 0 40 DDAB CC1=NN(S(=O)(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 4848501 NMRCBEJUWYLOTG-SNVBAGLBSA-N 308.281 1.708 0 40 DDAB CO[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@@H]2OC(C)(C)O[C@@H]21 4946058 YRTLYGPRRYJPFB-KYEXWDHISA-N 308.330 1.735 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 6891643 PPKBJOFHBQSVEH-LBPRGKRZSA-N 320.305 1.372 0 40 DDAB C[C@@H]1CN([C@H](C)CNC(=O)NCCCn2ccnc2)C[C@@H](C)O1 106083605 FIOZHKOEAHRIJO-RBSFLKMASA-N 323.441 1.070 0 40 DDAB O=S(=O)(CCn1cnc2ccccc21)NC[C@@H]1CCCO1 24700506 RYNWVFPBCVUGRQ-LBPRGKRZSA-N 309.391 1.135 0 40 DDAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10323996 DDIFSLISVBPHIV-WDEREUQCSA-N 310.419 1.926 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)c(C)c1 100377020 GLOJGCJSTYQMNZ-DFEHZGFQSA-N 313.353 1.499 0 40 DDAB CC[C@H]1CN(Cc2cn3ccccc3n2)CCN1C[C@@H](C)O 72279706 DDOKKJJBJLGXJR-ZBFHGGJFSA-N 302.422 1.611 0 40 DDAB Cc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H](C)O)cc1F 106791434 RNMDKAHOLZWLRU-XJKSGUPXSA-N 308.397 1.986 0 40 DDAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1[C@H]2CC[C@H]1CC(O)C2 106871165 YHIVFYPCCOGLHC-XBFCOCLRSA-N 323.437 1.521 0 40 DDAB CNC(=O)COC(=O)c1cccc(I)c1 3293956 ITPWJBTURNIFRI-UHFFFAOYSA-N 319.098 1.194 0 40 DDAB CCC[C@@H](NC(N)=O)C(=O)N1CCc2c(F)ccc(F)c2C1 84283996 NDVBUPJEJKCWCI-CYBMUJFWSA-N 311.332 1.687 0 40 DDAB CC1CCN(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)CC1 44298320 XSUHHMZBHPRUNW-CYBMUJFWSA-N 315.439 1.449 0 40 DDAB CCCOC(=O)C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21 9644547 OAQHYMKOBQHXSD-GFCCVEGCSA-N 300.318 1.165 0 40 DDAB CC[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1OC 27131375 CCUPIMACWNKSBS-LBPRGKRZSA-N 303.362 1.871 0 40 DDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C2CCCC2)CC1 27119878 HCZVIOMKJRKYTR-GFCCVEGCSA-N 319.457 1.141 0 40 DDAB COc1ccccc1NCC(=O)NCc1c(C)c(C)n[nH]c1=O 95396508 WNMQDRITOUESOX-UHFFFAOYSA-N 316.361 1.124 0 40 DDAB COc1ccc(-c2n[nH]c(S[C@H](C)C(N)=O)n2)c(OC)c1 58182532 BHUCDPIPKKVBFD-SSDOTTSWSA-N 308.363 1.455 0 40 DDAB CCN1C(=O)C[C@H](N2CCN(CCc3cccs3)CC2)C1=O 103462958 QKMKBSMKGJLLSI-AWEZNQCLSA-N 321.446 1.056 0 40 DDAB C[C@@H]1CN(C(=O)Cn2c(-c3cccs3)n[nH]c2=S)CCO1 10213137 CZIRXKBKAVHRRW-SECBINFHSA-N 324.431 1.916 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1C(F)(F)F 58231249 XHVPWFBDCDJEEX-SSDOTTSWSA-N 310.297 1.166 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCO1 58282460 AMOWNSWZHFVYEQ-APPZFPTMSA-N 309.309 1.950 0 40 DDAB O=C(NC1CCN(c2ccccn2)CC1)N1CCSCC1 44970651 RVIBRBYKGQNEHE-UHFFFAOYSA-N 306.435 1.809 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](C(C)C)N1CCOCC1 58381169 ICMFMQFHMIEVCO-MRXNPFEDSA-N 323.485 1.241 0 40 DDAB Cc1noc(CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)n1 58342689 RZIXFBVNLLEUSR-GFCCVEGCSA-N 316.361 1.587 0 40 DDAB COCCCC(=O)N(C)C1CCN(CCc2ccncc2)CC1 58393230 SWOMOBCVPDUKMU-UHFFFAOYSA-N 319.449 1.974 0 40 DDAB CC(C)CNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230384 MWBIHJMOKWVNLH-UHFFFAOYSA-N 314.407 1.233 0 40 DDAB CCN1C[C@H](C(=O)Nc2ccc(Br)cn2)CC1=O 59250932 VADHSNJWLHCYDH-MRVPVSSYSA-N 312.167 1.651 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCCCCC1 28900930 DZWBXHKNFUVXGS-UHFFFAOYSA-N 317.433 1.767 0 40 DDAB CCCCc1noc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1 29390284 YEXZQBBSIFLKQU-AWEZNQCLSA-N 314.389 1.824 0 40 DDAB CN(C)CC(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 11909636 ZDMAETVSDXXVIA-CQSZACIVSA-N 312.373 1.125 0 40 DDAB CCSc1nnc(SCC(=O)NC(=O)NC(C)C)s1 3546057 IVAWBKXWHUENFL-UHFFFAOYSA-N 320.465 1.976 0 40 DDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1cccc(F)c1 12986108 GKVWECRBXPHIMF-SNVBAGLBSA-N 304.373 1.852 0 40 DDAB CCc1nnc(NC(=O)c2ccc(Cn3cncn3)cc2)s1 12901760 QGRCRQPBDYKRMH-UHFFFAOYSA-N 314.374 1.993 0 40 DDAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccn2cncc2c1 97144102 ZISVTBINNVFTCS-MRXNPFEDSA-N 310.357 1.887 0 40 DDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)C[C@@H]1CCCCO1 110579592 WWTPRSYLRKGSTQ-FQUUOJAGSA-N 315.435 1.828 0 40 DDAB Cc1ccc(OCCNC(=O)CCC(=O)N2CCOCC2)cc1 23077508 ATPQWXBZFPRURL-UHFFFAOYSA-N 320.389 1.129 0 40 DDAB CCOC(=O)C1(NS(=O)(=O)c2cccs2)CCCC1 48960586 BHUWIGVVYVCLJQ-UHFFFAOYSA-N 303.405 1.902 0 40 DDAB COc1cccc(S(=O)(=O)NC(=O)c2csc(C)n2)c1 49515854 ZPTTYTHCVSAFLA-UHFFFAOYSA-N 312.372 1.579 0 40 DDAB Cc1noc(C)c1CNC(=O)C(=O)Nc1cccc2nonc12 13691610 CGOVNRURNOYWMG-UHFFFAOYSA-N 315.289 1.083 0 40 DDAB Cc1ccc2nc(NC(=O)CCC(=O)NCCO)sc2c1 6066053 FRCNFLWSFZJECI-UHFFFAOYSA-N 307.375 1.432 0 40 DDAB O=C(NCCc1ccccn1)NCc1nnc2n1CCCCC2 65595095 HXUATSWDTZOPGJ-UHFFFAOYSA-N 314.393 1.441 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3c(C)noc3C)CC2)no1 65522412 SJADHKPPWHLZTJ-UHFFFAOYSA-N 304.350 1.546 0 40 DDAB CCN1C[C@@H](C(=O)NC[C@H](c2ccsc2)N(C)C)CC1=O 65591526 OEPLFHNVPLREAQ-QWHCGFSZSA-N 309.435 1.335 0 40 DDAB Cc1ccn2cc(C(=O)N(CC(N)=O)C3CCCC3)nc2c1 65523632 XSNUYIJTYLEXAJ-UHFFFAOYSA-N 300.362 1.513 0 40 DDAB C[C@H](CC[C@H]1CCCO1)NC(=O)c1cnc2sccn2c1=O 65613294 YSVQFXDSOPSOTN-GHMZBOCLSA-N 321.402 1.834 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C 5517818 SHADEFLPOHVCNW-AWEZNQCLSA-N 304.346 1.813 0 40 DDAB COCCCNC(=S)NCCn1cc(Br)cn1 6640748 POWIMYGGOKCDRX-UHFFFAOYSA-N 321.244 1.146 0 40 DDAB Cc1cc(C(=O)OCC2(C)COC2)ccc1N1CCNC1=O 66522456 HXPASRWJRXFZKI-UHFFFAOYSA-N 304.346 1.718 0 40 DDAB CC/C(NC1CC1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5817486 FGLAXFKDGYRSKC-BUHFOSPRSA-N 313.357 1.994 0 40 DDAB CCCNC(=O)c1nsc(C(=O)NCc2ccccc2)c1N 67334937 UJKRKGCPTOLIFU-UHFFFAOYSA-N 318.402 1.795 0 40 DDAB COc1ccccc1CNC(=O)c1cccc(-n2cnnn2)c1 15653485 RHRLGSBSHKOQID-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB COCCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7718423 OCSQNTQAURPQEO-AWEZNQCLSA-N 312.369 1.955 0 40 DDAB Cc1c(C(=O)N2CCOCC2(C)C)cnn1-c1ccccn1 71821871 IKFDXOUKNQUBSJ-UHFFFAOYSA-N 300.362 1.827 0 40 DDAB Cc1cnn(CCC(=O)N2CCCN(c3cccnn3)CC2)c1 70021580 HXOHCUBASXBWBE-UHFFFAOYSA-N 314.393 1.111 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)NCC[S@](=O)c2ccccc2)n1 71896457 SVWPPRYDPLOZJD-RCDICMHDSA-N 319.430 1.985 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(=O)[nH]c1)CC2 17064852 CBGPNJZWLCMZHI-UHFFFAOYSA-N 314.341 1.591 0 40 DDAB Cc1noc([C@H](C)N2CCN(CC3(O)CCCCC3)CC2)n1 69436781 BSVDVKQAYIYNMA-ZDUSSCGKSA-N 308.426 1.752 0 40 DDAB COC(=O)c1occc1CSc1nnnn1CC(F)(F)F 69454613 GBKBFPAKZLPLKW-UHFFFAOYSA-N 322.268 1.907 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)N2CCCCC2)n1 69534742 UYGVUJJVAUCSPP-MRXNPFEDSA-N 319.453 1.762 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)c(C)c1 22584956 JQGCSGQKFATBFE-HNNXBMFYSA-N 319.405 1.333 0 40 DDAB O=S1(=O)CCC[C@H](NCc2cc(Cl)cc3c2OCC3)C1 97083944 KKUQHRRCFLTTRO-ZDUSSCGKSA-N 315.822 1.942 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2CC(=O)Nc2nncs2)no1 72279389 DHLKJLMQCVPEKM-VIFPVBQESA-N 322.394 1.820 0 40 DDAB O[C@@H](CNC[C@@H]1CCCN1c1cccnn1)c1ccc(F)cc1 72276757 BKQWMDUSCIYHPQ-HOTGVXAUSA-N 316.380 1.908 0 40 DDAB C[C@H](C(=O)N(C)C)N1CCCN(C(=O)Oc2ccccc2)CC1 95959299 OYEIVNUWFTZWCQ-CQSZACIVSA-N 319.405 1.670 0 40 DDAB CCc1[nH]nc(NC(=O)c2cccc3c2oc(=O)n3C)c1C 95977848 NOXAGVQVIQEWEE-UHFFFAOYSA-N 300.318 1.978 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H](C)N2CCc3sccc3C2)CC1 95947606 ZASOXHPDZNIDAO-GFCCVEGCSA-N 321.446 1.185 0 40 DDAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCC(=O)O)cc1 89756771 QURNIRQNFQXDDN-UHFFFAOYSA-N 301.302 1.454 0 40 DDAB CC1(C)O[C@H]2NC(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3OC[C@@H]21 170612838 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CN(C)C(=O)CN1CC[C@H]2CN(Cc3cccs3)C[C@@H]2C1=O 96054623 SJGAAXGSXJBQGQ-JSGCOSHPSA-N 321.446 1.117 0 40 DDAB CN(C)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 96055056 IBVRTKCFJBEJJL-HUUCEWRRSA-N 304.394 1.038 0 40 DDAB C[C@H](Nc1ccc2nnnn2n1)[C@@H](O)c1ccc(F)c(F)c1 96452698 ZUXKXWIXFWHNRE-WPPNPWJKSA-N 306.276 1.332 0 40 DDAB Cn1cc(CCOC(=O)c2cnc(C(F)(F)F)nc2)cn1 97102389 NANTUGFCWZYNLI-UHFFFAOYSA-N 300.240 1.628 0 40 DDAB COCCCNC(=O)[C@@]1(C)CC(c2ccccc2OC)=NO1 96193094 MQGOTIJTSGHDON-MRXNPFEDSA-N 306.362 1.731 0 40 DDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCCN(CC1CC1)C1CC1 95400957 HAWKUIGVCIJIHB-OAGGEKHMSA-N 321.465 1.974 0 40 DDAB Cc1occc1C(=O)N1CCn2c(Cn3cncn3)cnc2C1 96201141 MHEKZUYVLSYYQU-UHFFFAOYSA-N 312.333 1.080 0 40 DDAB CN1CCO[C@H](C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)C1 96502531 CPHSIFSJSJHWNX-GJZGRUSLSA-N 308.353 1.136 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccccc1F 96245772 AHJWNCFMZQUDIA-ZIAGYGMSSA-N 306.337 1.288 0 40 DDAB CN(C)C[C@@H]1CCC2(CN(Cc3ccc4c(c3)OCO4)C2)OC1 248110054 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O=C(c1cccc([C@@H]2CCOC2)c1)N1CC[C@](F)(C(=O)O)C1 263360967 UDYFVSIHYQFTRN-CZUORRHYSA-N 307.321 1.829 0 40 DDAB Cn1cccc(C(=O)NCCn2cc(-c3ccco3)cn2)c1=O 575606939 PQVDCFVOMPBWLJ-UHFFFAOYSA-N 312.329 1.272 0 40 DDAB O=C1NCC[C@@]12CN(Cc1ccc(CO)cc1)CC(F)(F)C2 585093214 JNNCDIVDSXICSM-OAHLLOKOSA-N 310.344 1.526 0 40 DDAB COCc1nnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@@H](C)C2 585097111 FVRAWOUWVDAHDW-QWRGUYRKSA-N 310.423 1.093 0 40 DDAB NC(=O)CC[C@]1(O)CCCN(CCCOc2ccccc2F)C1 585276753 DMZGGTRIKLHZDN-QGZVFWFLSA-N 324.396 1.687 0 40 DDAB Cn1cc(CN2CC[C@H](O)[C@H](Cc3cccc(F)c3)C2)cn1 585273845 FGDDDGSPXCUBTI-WBVHZDCISA-N 303.381 1.985 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3cc(C)on3)CC2)nn1 71863522 JDSJKYQFFGQPSX-UHFFFAOYSA-N 301.350 1.798 0 40 DDAB CC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 60348294 OGMILFBRWAEXQS-CQSZACIVSA-N 310.419 1.532 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccn2)cc1 54449916 NRECQKYSYPHVFD-UHFFFAOYSA-N 320.374 1.093 0 40 DDAB O=c1c2ccccc2nnn1CN1CCO[C@@H]2CCCC[C@@H]21 54545581 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Cc1cc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)no1 1889101204 PKERVFXPJIGDGY-ZDUSSCGKSA-N 309.435 1.770 0 40 DDAB CCCCNC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 20671493 GNVATZQJRQLMDD-LLVKDONJSA-N 321.352 1.899 0 40 DDAB Cc1ncc(C(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)cn1 2056224575 VWSCMVBTNFMMQU-AWEZNQCLSA-N 318.446 1.485 0 40 DDAB COc1ccc(N2C[C@H](NC(=O)N3CCCC3)CC2=O)cc1 4373439 ZVQSLZGEQTZMOL-GFCCVEGCSA-N 303.362 1.606 0 40 DDAB CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5442200 ASCQCESCPHTURI-UHFFFAOYSA-N 303.362 1.306 0 40 DDAB CC(=O)N[C@H](C(=O)c1ccco1)S(=O)(=O)c1ccc(C)cc1 27061757 PTGWXKNOZHCPFN-HNNXBMFYSA-N 321.354 1.707 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1cncc(Br)c1 31392133 NJMOQMJHFDGNNE-SECBINFHSA-N 309.167 1.859 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)c1ccc(O)nn1)N(C)C 40459808 KZQIRWPMRAWKLW-CYBMUJFWSA-N 316.361 1.224 0 40 DDAB O=C1C[C@@H](C(=O)N2CCSCC2)CN1Cc1ccccn1 40542256 JBSRJWGUHGKVKW-GFCCVEGCSA-N 305.403 1.006 0 40 DDAB COCC(=O)NC1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 40540210 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Nc1nccnc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 22464046 LOLDVTLAVJTECT-AWEZNQCLSA-N 311.389 1.626 0 40 DDAB CC[C@H]1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O 218952 BPTVHLNLEXMJPQ-CYBMUJFWSA-N 304.346 1.049 0 40 DDAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(C)=O)cc1 368489 GEIVOQCQBDNERI-UHFFFAOYSA-N 310.404 1.352 0 40 DDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CC2)cc1 8937478 XKACOWXWVUNIIQ-UHFFFAOYSA-N 310.419 1.541 0 40 DDAB CCN1C(=O)[C@@](O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 565347 HRUUAOBJZBVKNP-QGZVFWFLSA-N 313.357 1.854 0 40 DDAB O=C(CN1CCC(O)CC1)N(Cc1ccccc1F)C1CC1 61783509 QRMBHEUJTFKMAT-UHFFFAOYSA-N 306.381 1.773 0 40 DDAB CCc1noc(Cn2c(S(C)(=O)=O)nc3ccccc32)n1 22751370 XMRUTLQGAMDZQX-UHFFFAOYSA-N 306.347 1.434 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@H](C)Cn2cccn2)sc1C 78967684 ZSVHQADRGSGOBW-VIFPVBQESA-N 314.436 1.571 0 40 DDAB Cc1ccc(C(=O)CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 42370315 CTFWWQYXGNKOAI-INIZCTEOSA-N 323.414 1.651 0 40 DDAB O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@H]1CCOC1 79013530 ZCLSEVNWWQDIQL-LBPRGKRZSA-N 308.344 1.804 0 40 DDAB Nc1nnnn1NCc1cccc(OCc2ccccc2F)c1 7602474 UOYXLJYIADTUDW-UHFFFAOYSA-N 314.324 1.717 0 40 DDAB COc1ccnc(NC2CCN(C(=O)c3ccco3)CC2)n1 55357100 GOFXKXNDQKUJRE-UHFFFAOYSA-N 302.334 1.795 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 106575861 IENOZARTUUIRJG-GDBMZVCRSA-N 317.433 1.664 0 40 DDAB CS(=O)(=O)NCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 106648444 NZVYHKPAPYTRST-FQUUOJAGSA-N 314.451 1.353 0 40 DDAB C[C@H](O)CN1CCN(Cc2nc3c(F)cccc3[nH]2)C[C@@H]1C 106841043 DFOFAEMDVWYAEL-RYUDHWBXSA-N 306.385 1.589 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc2ccccc12 100171959 MAZNKLATDRBDTB-IUVQAAGXSA-N 321.332 1.645 0 40 DDAB COc1cccc(CN2CC[C@@H]3OCCN(C(C)=O)[C@H]3C2)c1 108529889 CQCWWEFAIIWRQP-IRXDYDNUSA-N 304.390 1.517 0 40 DDAB CCc1cc(=O)n(CC(=O)NCCOC)c(-c2ccccc2)n1 57527096 BMGABWKTGGOBGQ-UHFFFAOYSA-N 315.373 1.235 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1C(N)=O 26880855 NUEYELFFQWXCHI-LLVKDONJSA-N 322.386 1.596 0 40 DDAB CCOC(=O)c1cccnc1N[C@@H]1CCc2nc(C)nn2C1 95941122 BFYYYPBTOJMMPO-LLVKDONJSA-N 301.350 1.585 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)N1CCCC1 58192367 DGZDZJCSPYUUQB-GFCCVEGCSA-N 322.430 1.465 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccn(C)n2)CC1=O 44873035 DTQXOGMAGAFAMQ-ZDUSSCGKSA-N 312.373 1.974 0 40 DDAB Nc1nccnc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 27607403 VHHZMDJCTROOLI-NSHDSACASA-N 317.418 1.687 0 40 DDAB C[C@H](Nc1ncccn1)c1ccc(S(=O)(=O)N(C)C)cc1 44977087 JOGDMEFTAZBSAV-NSHDSACASA-N 306.391 1.900 0 40 DDAB CCc1cc(=O)n2nc(NC[C@@H](O)c3ccccc3)sc2n1 44974314 MFWOWRCLADLACF-GFCCVEGCSA-N 316.386 1.859 0 40 DDAB COc1ccc([C@@H](NC(=O)NC[C@H](C)O)c2nccn2C)cc1 44948506 GRGWXHZEEUVTEX-SMDDNHRTSA-N 318.377 1.198 0 40 DDAB CN1C(=O)c2ccc(C(=O)NCCc3cccs3)cc2C1=O 36638462 NAYXJDOWRQTVHA-UHFFFAOYSA-N 314.366 1.946 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCc2ccccc21 45654769 AKFWYOVDSKCGQF-FZMZJTMJSA-N 308.403 1.408 0 40 DDAB CCc1noc(CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)n1 29134512 LLPNOWALUOTMJC-MRXNPFEDSA-N 314.345 1.908 0 40 DDAB Cc1nc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)no1 60381797 YFJJYVUXBJHBDS-SECBINFHSA-N 314.301 1.430 0 40 DDAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N1CCOCC1 2627897 ACXHLYUBHCMWDD-JTQLQIEISA-N 320.370 1.700 0 40 DDAB Nc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)ccc1Cl 2617870 IZWSDOWFXDLDSH-SNVBAGLBSA-N 312.753 1.374 0 40 DDAB CCCCNC(=O)CSc1nnc(-c2cccnc2)n1N 3436429 FBQBVMAOVHUJIM-UHFFFAOYSA-N 306.395 1.062 0 40 DDAB O=C(NCCCN1CCCC1=O)c1nc(-c2cccs2)no1 2733159 OZVAWNYRPQMVSH-UHFFFAOYSA-N 320.374 1.540 0 40 DDAB CC(=O)Nc1nc(C(=O)NCCN2CCCC[C@H]2C)cs1 46861096 PCTWOPWNIWRQCH-SNVBAGLBSA-N 310.423 1.706 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCNC2)C1 19421978 IMRAFYPVKALUBJ-CHWSQXEVSA-N 311.426 1.502 0 40 DDAB in-vitro COC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71286194 ANMCAHVTGSLBSX-NEPJUHHUSA-N 321.329 1.777 0 40 DDAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cn1 49199246 BTRYTRAEEOPTGA-UHFFFAOYSA-N 323.352 1.973 0 40 DDAB O=C(NCCN1CCc2ccccc2C1)NCC(F)(F)F 49133015 MRRXJWZKBIVJJJ-UHFFFAOYSA-N 301.312 1.906 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1ccc(CC)s1 49240877 VNNRTZFOEKAGHN-UHFFFAOYSA-N 304.437 1.587 0 40 DDAB CCc1nc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c[nH]1 95431690 LBBYMWJWFWZOSC-ZDUSSCGKSA-N 321.402 1.488 0 40 DDAB CC(C)S(=O)(=O)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 49418119 HRBJEWPUVUYGIB-SECBINFHSA-N 305.783 1.962 0 40 DDAB CN1[C@@H](Cc2cccnc2)[C@@H](O)c2ccccc2S1(=O)=O 13654855 SCQFIVOFMZXZDC-ZFWWWQNUSA-N 304.371 1.360 0 40 DDAB C[C@H](NC(=O)NC[C@H](C)N(C)C)c1ccc2c(c1)CCC(=O)N2 65417452 FYJBVMWIDPQYEE-RYUDHWBXSA-N 318.421 1.882 0 40 DDAB CN(CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 65403728 QPRGHELEOPFSLJ-OAHLLOKOSA-N 315.417 1.246 0 40 DDAB COCCN(CC(N)=O)Cc1ccc(OC(F)(F)F)cc1 65494654 WEWMFLHDZDGZGW-UHFFFAOYSA-N 306.284 1.519 0 40 DDAB O=C1CSC(NC(=O)CSC(=S)N2CCCCC2)=N1 9356729 AYWMRGZHYPHKAP-UHFFFAOYSA-N 317.461 1.236 0 40 DDAB CCC(=O)OCc1nc2ccc(OC)cc2[n+]([O-])c1C(C)=O 5574269 KMXMTRUCHYMMKR-UHFFFAOYSA-N 304.302 1.533 0 40 DDAB CC[C@@H](C)N(C)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 66126855 NDNUJHKREGNLEH-VXGBXAGGSA-N 311.451 1.713 0 40 DDAB Cc1noc(C)c1CCNC(=O)Nc1ccc2nn[nH]c2c1 95434484 XFQYLOIXSFNDDY-UHFFFAOYSA-N 300.322 1.927 0 40 DDAB COC(=O)CNC(=O)Nc1sc2c(c1C(=O)OC)CCC2 6760819 PNTQLUNLTCMXOQ-UHFFFAOYSA-N 312.347 1.318 0 40 DDAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccnc1 6980221 YVYPQQAZAPQSBU-GFCCVEGCSA-N 323.352 1.945 0 40 DDAB C[C@@H](OC[C@@H](O)CNCCOCCO)c1ccc(Cl)cc1 6936432 JSVCAZLHEZKVLX-DOMZBBRYSA-N 317.813 1.377 0 40 DDAB CCCn1c(SCc2cn3c(C)cc(C)nc3n2)n[nH]c1=O 9467092 VJSPAGSABSBLRW-UHFFFAOYSA-N 318.406 1.933 0 40 DDAB CS(=O)(=O)c1ccc(-c2noc(-c3ccnnc3)n2)cc1 90094382 AORWZRNXLAZOIV-UHFFFAOYSA-N 302.315 1.597 0 40 DDAB Cc1ccccc1N1CCN(C(=O)Cn2ccccc2=O)CC1 7106399 FCLQQZZJTDCVBW-UHFFFAOYSA-N 311.385 1.506 0 40 DDAB NS(=O)(=O)c1ccc(NCC[C@H]2CCCO2)c2ncccc12 71795709 RATMGCYRZFTWBB-LLVKDONJSA-N 321.402 1.863 0 40 DDAB CC(C)COCCNC(=O)N1CCN(c2ncccc2F)CC1 90548778 SOKYMYZHLBSIBL-UHFFFAOYSA-N 324.400 1.725 0 40 DDAB O=C(COC(=O)c1cccs1)NC(=O)NCc1ccccc1 7737758 SEVMBPBMLBIQBD-UHFFFAOYSA-N 318.354 1.931 0 40 DDAB O=C(COC(=O)C1(c2ccccc2)CCC1)N1CCNC1=O 16376886 HBLXTSCWXCLMOC-UHFFFAOYSA-N 302.330 1.203 0 40 DDAB c1ccc2oc(N3CCN(c4ccc5nncn5n4)CC3)nc2c1 71859480 HYIHFTNIYZFIKK-UHFFFAOYSA-N 321.344 1.592 0 40 DDAB O=C(COCC(F)(F)F)N[C@H]1CCCc2[nH]c(=O)ccc21 71851786 OSGVOESONYBZAT-JTQLQIEISA-N 304.268 1.447 0 40 DDAB CN(CC(=O)NC1(c2ccc(Cl)cc2)CC1)S(C)(=O)=O 71899819 ZFECAYFHJFQGQZ-UHFFFAOYSA-N 316.810 1.337 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)c2csc3c2CCCC3)CCO1 91293126 NTKQEGLRRKMWOR-JTQLQIEISA-N 309.387 1.943 0 40 DDAB CC1CCN(C[C@H](O)Cn2ncc3ccccc3c2=O)CC1 71825073 VDMWJTQHYZGUPL-HNNXBMFYSA-N 301.390 1.489 0 40 DDAB Cc1cc(C)n(C2CN(C[C@@H](O)c3ccc4c(c3)OCO4)C2)n1 70039603 QDJDNDVPHOGXDL-OAHLLOKOSA-N 315.373 1.819 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)N2CCC(C)CC2)CC1 69439588 FCXCPXZTHJPPKQ-UHFFFAOYSA-N 316.467 1.743 0 40 DDAB COC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)c2ccccc2O1 69434325 WYSJBLVSYPNPHP-OAHLLOKOSA-N 312.325 1.971 0 40 DDAB COc1ccc(Cl)c(S(=O)(=O)NCc2cnn(C)c2)c1 71900676 GTXYUKPNYJLYBQ-UHFFFAOYSA-N 315.782 1.561 0 40 DDAB COc1cc(-c2nnc3n2N=C(N)CS3)cc(OC)c1OC 8400945 AKFVGRUHZAEMSG-UHFFFAOYSA-N 321.362 1.197 0 40 DDAB CCNC(=O)CCS(=O)(=O)Cc1cc(-c2ccccc2)on1 69744468 OISUAQYVRLFZQN-UHFFFAOYSA-N 322.386 1.783 0 40 DDAB COC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H]2C=CCCC2)CC1 97084627 GOPGOSBAJNVMMT-HIFRSBDPSA-N 308.422 1.875 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@@H](O)COCc1cccs1)CC2 72254064 YOUAROJQFWSWLE-CHWSQXEVSA-N 322.434 1.130 0 40 DDAB O=C(CC(C1CC1)C1CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269425 IVSBWUKCDHAMIA-IAGOWNOFSA-N 306.450 1.870 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 72234037 HPJFXSWPVSQKAT-ZDUSSCGKSA-N 317.393 1.309 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nonc2C)cc1Cl 97162353 XNMWMNMLQQAXPT-UHFFFAOYSA-N 303.727 1.841 0 40 DDAB O=C(c1ccncc1)N1CCCN(C[C@H](O)C(F)(F)F)CC1 97141584 LHEVIWFERYVGQZ-LBPRGKRZSA-N 317.311 1.153 0 40 DDAB Cn1ccc(CNC(=O)NCc2cccc(Cn3cncn3)c2)c1 75092520 KLEULZQCQKGAMP-UHFFFAOYSA-N 324.388 1.664 0 40 DDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cccn1 89969266 NXEVNTDGBGGDEX-UHFFFAOYSA-N 301.346 1.703 0 40 DDAB COc1cccc(C(=O)NCCn2nc(C)cc2C)c1OC 28573889 GWLFSRBYJWFKEX-UHFFFAOYSA-N 303.362 1.947 0 40 DDAB C[C@H](N)C(=O)N1CCC(N(Cc2ccccc2)C2CC2)CC1 79415652 YTLJKJZOUDPNIX-AWEZNQCLSA-N 301.434 1.989 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 67897026 JRCOWIUJZLAGDP-NEPJUHHUSA-N 300.280 1.405 0 40 DDAB biogenic,in-vitro CN(C)[C@@H](CNS(=O)(=O)N(C)C)c1ccc(Cl)cc1 36090648 AWLFDCPXFIOKBM-LBPRGKRZSA-N 305.831 1.339 0 40 DDAB CNc1nc(OC)nc(OC(C(F)(F)F)C(F)(F)F)n1 3156516 IMUGFSNUYWMDRI-UHFFFAOYSA-N 306.166 1.794 0 40 DDAB biogenic O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCCOCC1 521396290 IBJCYKYRFLGINU-UHFFFAOYSA-N 319.329 1.545 0 40 DDAB c1ccc(CN2C[C@H]3CN(c4ncnc5n[nH]cc45)C[C@@H]3C2)cc1 359906222 UMASUPRNGKJOMS-GJZGRUSLSA-N 320.400 1.921 0 40 DDAB O=C(c1cnn2ncccc12)N1CC[C@@H](n2cc(Cl)cn2)C1 565575353 FMAKYEJNRWOXEH-LLVKDONJSA-N 316.752 1.666 0 40 DDAB COC[C@H](O)CN1CCN(c2nsc3ccccc23)CC1 72402828 JRXKSVXSTSYEOX-GFCCVEGCSA-N 307.419 1.426 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NC[C@@H]1COc2ccccc2O1 71282670 BATUTGLUDJGLDN-OASPWFOLSA-N 305.330 1.299 0 40 DDAB Cc1cn[nH]c1[C@@]1(C)CCCN(S(=O)(=O)c2cn[nH]c2)C1 72388842 MXDNGDGQODLQBF-ZDUSSCGKSA-N 309.395 1.184 0 40 DDAB Cc1cc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)on1 40040821 DNDIHYQXIPRDTJ-UHFFFAOYSA-N 303.318 1.782 0 40 DDAB COc1cncc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)n1 225395248 WTALMPJFQOOPQL-GFCCVEGCSA-N 319.386 1.769 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H](C3OCCO3)C2)C1 195529888 DFKJLPXXNXAPEF-SOUVJXGZSA-N 310.438 1.576 0 40 DDAB CCOC(=O)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 41604407 XMOWMMRIBOZLCQ-UHFFFAOYSA-N 302.334 1.202 0 40 DDAB CCN1CCN([C@H](C)CNS(=O)(=O)CC2CCCC2)CC1 195576935 BRIVTPZZPOPYOD-CQSZACIVSA-N 317.499 1.122 0 40 DDAB Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1ncnn1C 191071620 REERKUXNACSFCU-UHFFFAOYSA-N 324.387 1.814 0 40 DDAB CC(C)CNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944757 GINFMTDOAQJWEU-ZDUSSCGKSA-N 316.398 1.578 0 40 DDAB O=C1N(c2cccnc2)CC[C@@]12CCN(c1ncc(F)cn1)C2 96159517 REYHHRZNSCELTG-MRXNPFEDSA-N 313.336 1.644 0 40 DDAB O=C(Cc1ccccc1)N1CCn2cc(Cn3cncn3)nc2C1 96197369 GGJOWXSRKHFHOD-UHFFFAOYSA-N 322.372 1.108 0 40 DDAB CC(=O)N1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 96049900 YIVZTUPNLVHYLL-OAHLLOKOSA-N 310.419 1.198 0 40 DDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCC2)C[C@H]2OCC[C@H]21 97953841 INVNPZLUZULHKV-YESZJQIVSA-N 315.417 1.587 0 40 DDAB Cc1cc(C(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)no1 96188255 PXPDNFNHTLPZNX-GFCCVEGCSA-N 303.366 1.013 0 40 DDAB O=C(NCC1CC1)[C@H]1CN(Cc2ccco2)Cc2ccnn2C1 96044180 YJQPEFSJGHVAEI-AWEZNQCLSA-N 314.389 1.634 0 40 DDAB COc1ccc(CC(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)cc1 96041923 RPLLMMXQQHVNID-YQQAZPJKSA-N 305.374 1.643 0 40 DDAB O=C(/C=C/c1ccccc1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414086 BUKJUVPIQOCDAQ-SYTKJHMZSA-N 312.291 1.979 0 40 DDAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cnnn1 96412214 NUOWEMAFKSVRST-NOZJJQNGSA-N 309.757 1.219 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)Cn1c(C)cc3ccccc31)CC2 97198014 AMIZWXIJXFMMDT-HNNXBMFYSA-N 323.400 1.981 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@@H](C)C(C)(C)C)ccc1=O 96413523 HFFNBWUDNTWRKE-LLVKDONJSA-N 307.394 1.605 0 40 DDAB COCCN1CCN(Cc2nccn2C)Cc2cccnc21 96198848 WIMACNDAIPAOBW-UHFFFAOYSA-N 301.394 1.284 0 40 DDAB CC(C)n1nnnc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 96402675 QXBJWZKYLLMFIZ-LLVKDONJSA-N 323.422 1.508 0 40 DDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042074 PIAUMURHNAUMJN-SOUVJXGZSA-N 303.362 1.275 0 40 DDAB O=C(c1ccoc1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058660 ARQUEWWSQUPLHT-LBPRGKRZSA-N 313.357 1.815 0 40 DDAB CS(=O)(=O)[C@@H]1[C@H](C(=O)O)[C@H]1c1ccc(Br)cc1 242701873 WOZDOUMKQCWPFV-BBBLOLIVSA-N 319.176 1.660 0 40 DDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)C1CCCC1 257302149 SBSHCVBBFMNWGL-KRWDZBQOSA-N 303.406 1.671 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc3nccn23)C1 257294865 QWAKLZYZNGREMH-LBPRGKRZSA-N 308.407 1.320 0 40 DDAB O=C(COc1ccccc1Cl)N1C[C@H](O)[C@]2(CCCO2)C1 257277396 NXUJQGIZELALNT-ZFWWWQNUSA-N 311.765 1.471 0 40 DDAB CO[C@@H]1CN(CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 257323891 WMGZAKSGJJUFCE-NVXWUHKLSA-N 322.380 1.952 0 40 DDAB CCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257243952 IJGSAWPVFXKVQJ-IJLUTSLNSA-N 321.406 1.182 0 40 DDAB c1cncc(OC[C@@H]2CCOC23CN(CC2CCOCC2)C3)c1 253476538 ABBMVBKWJDWCRA-INIZCTEOSA-N 318.417 1.978 0 40 DDAB Cc1nc(NC(=O)CN2CCC[C@H]2Cn2cncn2)sc1C 69600974 HWMLSWDXSKWSIE-LBPRGKRZSA-N 320.422 1.455 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575402790 CSZUFICZODCSNN-NSHDSACASA-N 316.386 1.584 0 40 DDAB CC(=O)N1CCC[C@]1(CO)CC(=O)NCc1cccc(Cl)c1 585280414 IBTXRFAUEPXSJG-MRXNPFEDSA-N 324.808 1.720 0 40 DDAB O=C(Nc1ccc2n(c1=O)C[C@@H]1CNC[C@H]2C1)c1ccncc1 5413551 GBLJVJHWHMFLBM-WCQYABFASA-N 310.357 1.202 0 40 DDAB biogenic,in-vitro CC(C)N1C(=O)CN(NC(=O)c2cc3c(s2)CCCC3)C1=O 5018978 QZZAFIJXMTYXSY-UHFFFAOYSA-N 321.402 1.944 0 40 DDAB COCC(=O)N1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 12326983 SWXSYKWTMKQCLV-LLVKDONJSA-N 321.406 1.287 0 40 DDAB CC(C)NC[C@@H](O)COc1ccc([C@@H](O)COCC2CC2)cc1 5760532 NDOYCLDFWYZWIO-AEFFLSMTSA-N 323.433 1.884 0 40 DDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccn1C 5205454 CHMNXCSUICWYOD-UHFFFAOYSA-N 316.313 1.607 0 40 DDAB Cc1cc(=NC2CN(c3nnc(C)s3)C2)[nH]c(C2CC2)n1 1888843343 OWKNTCALYMBYBY-UHFFFAOYSA-N 302.407 1.545 0 40 DDAB O=S(=O)(NCCn1nccn1)c1ccc(F)c(Cl)c1 238819326 CGAYYBXHBUBPER-UHFFFAOYSA-N 304.734 1.049 0 40 DDAB CCC(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838355 FSVIKLNMJMUXJX-UHFFFAOYSA-N 320.364 1.960 0 40 DDAB Cc1ccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cn1 2037980763 HQXMBUDEBSTPFL-KRWDZBQOSA-N 303.406 1.603 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(Cc2ccccc2)C1 41295765 CWWMXJWMULWXSI-INIZCTEOSA-N 323.396 1.789 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C[C@H](NC[C@@H](C)O)C(=O)O 5258195 NMDYYEFZRDPPPP-PELKAZGASA-N 314.769 1.401 0 40 DDAB CC(C)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055796069 RUXAUSHRCYUHJI-QGZVFWFLSA-N 318.421 1.195 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)Cc1ccccc1)CC2 2055732765 ZNCKAAXKIRXZNJ-CQSZACIVSA-N 313.401 1.952 0 40 DDAB Cc1occc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31718753 HBEYGMZNKVYBCW-UHFFFAOYSA-N 300.318 1.172 0 40 DDAB Cn1c(C(=O)NCCNc2cnccn2)cc(Cl)c1Cl 40512325 FSAXYNOZELRHIZ-UHFFFAOYSA-N 314.176 1.964 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)n1 40533894 AKJKHAXJPVQTRS-OAHLLOKOSA-N 312.373 1.579 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)N1CCSCC1 40542170 GIYRHIYIRDPGCL-UHFFFAOYSA-N 306.387 1.378 0 40 DDAB C[C@@H](CNC(=O)c1ccc(Br)o1)N1CCOCC1 40509921 ORBMIZFRNXTDAZ-VIFPVBQESA-N 317.183 1.493 0 40 DDAB O=C(CCc1ccco1)NC[C@@]1(N2CCOCC2)CCSC1 31937671 HKDWJBSRFCVCLM-INIZCTEOSA-N 324.446 1.536 0 40 DDAB Cn1nnc2cc(C(=O)Nc3ccc4c(c3)C(=O)NC4)ccc21 103780690 IVXLKXOLCANEJL-UHFFFAOYSA-N 307.313 1.464 0 40 DDAB CN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)O)cc1 47593647 OAXNJMINZXXWNN-UHFFFAOYSA-N 321.354 1.975 0 40 DDAB CC(C)COC1CCN(C(=O)CN2CSCC2=O)CC1 84544377 IYBAHYYEMDXDEQ-UHFFFAOYSA-N 300.424 1.183 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CC3(O)CCCCC3)C[C@@H]2C)CC1 78896128 PMGDTHOVIVCJIH-RDJZCZTQSA-N 323.481 1.166 0 40 DDAB CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 78869471 ANAOZOLAMWGYMQ-LSDHHAIUSA-N 305.426 1.705 0 40 DDAB O=C(O)CNC(=O)C1(NC(=O)OCc2ccccc2)CCCC1 1719076 WKPWTXQDCVJCKF-UHFFFAOYSA-N 320.345 1.426 0 40 DDAB Cn1cc(NC(=O)c2ccc(Cl)c(-n3cnnn3)c2)cn1 79487525 IEDHMYKQFDNAFF-UHFFFAOYSA-N 303.713 1.302 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCn1c(C)csc1=O 24725744 PMGAMQGUVANNOB-LLVKDONJSA-N 314.407 1.312 0 40 DDAB CCOC(=O)c1nc(CN2C[C@H](C(N)=O)CC[C@H]2C)cs1 106768605 MRUZQEHNKQWSTI-NXEZZACHSA-N 311.407 1.406 0 40 DDAB Cn1ccnc1[C@H](Nc1ccc2nnnn2n1)c1ccccc1 8710016 SOVFFYUZJRJIFB-CQSZACIVSA-N 306.333 1.454 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@H](C)[C@H](C)n1cc(C)cn1 106845576 LWEIWNITNHDGNN-OJTAVBMZSA-N 318.425 1.398 0 40 DDAB C[C@H]1CN(Cc2cc(=O)n3nccc3[nH]2)[C@@H](c2ccccc2)CO1 107146031 GHXPOIJYGVKNKD-XJKSGUPXSA-N 324.384 1.985 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(N(C)C)nc3)C2)n1 56131510 AUSYISJUWNHGIC-ZDUSSCGKSA-N 315.377 1.859 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2cccn2C)CC1 58978365 RBHSIENHDOKYMA-UHFFFAOYSA-N 302.378 1.588 0 40 DDAB CC(C)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)O 9550237 OFPHYNUKDPHRPT-LLVKDONJSA-N 313.375 1.319 0 40 DDAB NC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 95347704 QFVJVLUXCQWBEN-UHFFFAOYSA-N 319.449 1.269 0 40 DDAB Cc1nn(-c2ccccc2)c(N)c1[C@]1(O)C(=O)Nc2ccccc21 3252517 VDHWSDOVYSEUCJ-SFHVURJKSA-N 320.352 1.951 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(-c2ccccn2)noc1=O 58293184 JVVCLFHELRZMHC-RYUDHWBXSA-N 316.361 1.593 0 40 DDAB O=C(CCNc1ncccn1)Nc1ccn(Cc2ccncc2)n1 58218092 COGQPOGPIDGUBZ-UHFFFAOYSA-N 323.360 1.557 0 40 DDAB COc1ccc(OC)c(CNC(=O)N[C@@H](C)Cn2cccn2)c1 44953835 BMJIHHJRNHIJQO-LBPRGKRZSA-N 318.377 1.788 0 40 DDAB CNC(=O)c1cccc(CCNC(=O)NCc2cccnc2)c1 76019821 UKKWINXAMHEVJV-UHFFFAOYSA-N 312.373 1.483 0 40 DDAB Cc1ncc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)s1 76058903 VUBUYSPZSYMVNT-XHDPSFHLSA-N 322.434 1.604 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 76045879 KQTGUQDYWIQUDR-LBPRGKRZSA-N 306.391 1.707 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 48235379 OKQNVIHRNMMBHI-KBPBESRZSA-N 320.368 1.719 0 40 DDAB CCCOc1ccc2cc(C(=O)NCCOC)c(=O)oc2c1 3344452 QLKVQLJQTULFQP-UHFFFAOYSA-N 305.330 1.958 0 40 DDAB Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 11615543 DTEYJDCBYHPNNB-UHFFFAOYSA-N 306.343 1.962 0 40 DDAB CCOC(=O)CCN1CCN(C(=O)c2cccc(OC)c2)CC1 48342020 ANGQZPFDAZJRIQ-UHFFFAOYSA-N 320.389 1.406 0 40 DDAB Cc1cc(NC(=O)NCCCN(C)CC(F)(F)F)n(C)n1 45975341 NPXLTNBGMMYRLC-UHFFFAOYSA-N 307.320 1.734 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)no1 3464705 WGDZMWOYQWFYLX-BJOHPYRUSA-N 320.349 1.422 0 40 DDAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)C[C@H]1NC(=O)NC1=O 48465066 FCUZYORTDBHZHR-ZYHUDNBSSA-N 319.361 1.249 0 40 DDAB COC(=O)CCCNC(=O)N1CCN(c2ccccc2)CC1 9157550 DDMQTIAHVORFIM-UHFFFAOYSA-N 305.378 1.471 0 40 DDAB Nc1nc(N)nc(SCC(=O)c2c[nH]c3ccccc23)n1 9167045 LBHWARSBVORAKP-UHFFFAOYSA-N 300.347 1.492 0 40 DDAB CC(C)CN1CCC(C(=O)NCCNc2ncccn2)CC1 63659168 PELAJHOAQCYRGO-UHFFFAOYSA-N 305.426 1.373 0 40 DDAB CCc1nc(CC(=O)N2CCOC[C@H]2c2ncon2)cs1 95453013 LBAPDRSWRPXUJY-JTQLQIEISA-N 308.363 1.231 0 40 DDAB O=C(CCNc1ncccn1)Nc1ccc2c(c1)OCCO2 13691216 YDMXNPVEFRKQHP-UHFFFAOYSA-N 300.318 1.689 0 40 DDAB COCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 306137344 QTQQKIRGHFJZKR-ZDUSSCGKSA-N 306.362 1.114 0 40 DDAB Cc1ncsc1C(=O)NC(C)(C)c1noc(CN(C)C)n1 65434725 PKRYQNFPSGZQLD-UHFFFAOYSA-N 309.395 1.561 0 40 DDAB CCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(CC)CC1 4711665 YAIQSAAXBMPJJY-UHFFFAOYSA-N 319.405 1.964 0 40 DDAB CNC(=O)[C@H](Sc1nnc2[nH]c3ccccc3n12)C(C)=O 9421957 IZTVOPYRXRXPRB-SNVBAGLBSA-N 303.347 1.006 0 40 DDAB Cc1c(CCC(=O)Nn2cnnc2)c(=O)oc2cc(O)ccc12 9418898 OXSSLNKCGGZVFY-UHFFFAOYSA-N 314.301 1.101 0 40 DDAB CCS(=O)(=O)NCC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C 96485397 SZCOSWIUXMCINK-CMPLNLGQSA-N 316.448 1.392 0 40 DDAB CCS(=O)(=O)NCC(=O)N1C[C@@H](c2ccsc2)C[C@H]1C 96485400 SZCOSWIUXMCINK-PWSUYJOCSA-N 316.448 1.392 0 40 DDAB COCCN1CC[C@H](NC(=O)NCCc2ccc(C)cc2)C1 96413340 ZPKDTHQNFIEFLS-INIZCTEOSA-N 305.422 1.557 0 40 DDAB COc1cccc(CC(=O)Nc2cnn(-c3ncccn3)c2)c1 96414115 JRMMGYGTRIYHKC-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB C[C@H]1Cc2ccccc2N1CCNC(=O)Cn1ccccc1=O 68294358 FRANNTPMRJVPGV-AWEZNQCLSA-N 311.385 1.416 0 40 DDAB CCc1cnc(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 81203949 QHOAKFOPIXAUEA-SNVBAGLBSA-N 307.419 1.375 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N(C)Cc1cccs1)CC2 70004033 MXOCLASWCQTPMM-LBPRGKRZSA-N 319.434 1.211 0 40 DDAB Cc1ncc2c(n1)CN(Cc1cc(=O)n3ccccc3n1)CC2 69418415 XYJFHPSMZMIRBN-UHFFFAOYSA-N 307.357 1.351 0 40 DDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)CCC(=O)O)CC1=O 96595575 IYHIUUSHYJZJMG-OCCSQVGLSA-N 318.373 1.529 0 40 DDAB Cc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1 69512748 GGCBHWFAHXJNNL-UHFFFAOYSA-N 311.393 1.852 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)N2C[C@H](C)O[C@@H](C)C2)nc1 69622325 JRYPFVBYGTZUSJ-STQMWFEESA-N 320.393 1.537 0 40 DDAB Cn1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1=O 73531914 SSFMDEYLUJVOJZ-UHFFFAOYSA-N 306.343 1.041 0 40 DDAB COc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 8686713 YWBSTPHKOJMFNZ-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB CC(=O)N1CCN(c2nc(C(C)C)nc3c(C)nn(C)c23)CC1 28557691 WGQJGKBTQDYEMH-UHFFFAOYSA-N 316.409 1.464 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCO3)CC2 97198415 VJVYJIBWQRDWNN-LLVKDONJSA-N 314.345 1.314 0 40 DDAB CCN(C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)C 97141736 QFYJIPFATLIATG-UHFFFAOYSA-N 318.421 1.758 0 40 DDAB COCCN(C)CCNC(=O)Nc1c(C)nn(C(C)C)c1C 72318939 ILZRZLYWDBEFPQ-UHFFFAOYSA-N 311.430 1.781 0 40 DDAB Cc1ccc(-c2nnn(Cc3nc4ccccc4[nH]c3=O)n2)cc1 97201103 UFSPVHOHJCXWHA-UHFFFAOYSA-N 318.340 1.933 0 40 DDAB O=C(NCCOC[C@H]1CCCO1)NC1Cc2ccccc2C1 97377418 OBHZFFGYNYHAJF-MRXNPFEDSA-N 304.390 1.649 0 40 DDAB Cn1ccnc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1=O 97375102 ZPYFQURDKJWGKT-UHFFFAOYSA-N 324.344 1.669 0 40 DDAB O=C(N[C@H]1CCCn2ncnc21)[C@@H]1CSc2ccccc2O1 75108185 CQRHIYPVLYWFIG-JQWIXIFHSA-N 316.386 1.783 0 40 DDAB C[C@@H](NCCNS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 75133860 ZNZWSJISHSHRHS-ZIAGYGMSSA-N 322.434 1.401 0 40 DDAB O=S(=O)(NCCOCC(F)(F)F)c1ccc2cn[nH]c2c1 89808115 AYFWAOOOKCAPSB-UHFFFAOYSA-N 323.296 1.420 0 40 DDAB C[C@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1 89929890 OBOWCRSYUPAGFX-DZGCQCFKSA-N 302.374 1.282 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ncc(C)o2)C1 548010529 SHHOBUASQGLEID-HNNXBMFYSA-N 320.418 1.985 0 40 DDAB CCn1c(=O)n(C)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 22610618 SFLRXARNNFAXQM-UHFFFAOYSA-N 301.346 1.270 0 40 DDAB CN(Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2C=CCCC2)C1 518276078 IAIKUWVAVWHUCF-GJZGRUSLSA-N 315.421 1.801 0 40 DDAB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1nsc2ccccc12 519640681 ZGDUIBLENGLMQQ-RYUDHWBXSA-N 317.414 1.999 0 40 DDAB C/C=C/c1ccc(OC[C@H](O)CNC(C)(C)CO)c(OC)c1 32682376 NJHMHZOAKJEEST-VBROQKIQSA-N 309.406 1.829 0 40 DDAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 524731380 VKXBPKXICJIILW-NSHDSACASA-N 313.309 1.863 0 40 DDAB biogenic CC(=O)Nc1ccc(C(=O)O)cc1I 39951751 PZVAQJTVGJGDAE-UHFFFAOYSA-N 305.071 1.948 0 40 DDAB NC(=O)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 73634504 PYRSJHRPXHVTOD-UHFFFAOYSA-N 313.264 1.971 0 40 DDAB Cc1c(C(=O)NC[C@H]2CCCO2)sc2nc(C)n(C)c(=O)c12 31868372 UNHJECIKYWBOPE-SNVBAGLBSA-N 321.402 1.521 0 40 DDAB CN(Cc1ccccc1)C(=O)Cn1nc2c(cc1=O)CCCC2 72807703 ZULVHBVSMAYIKW-UHFFFAOYSA-N 311.385 1.781 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)NCCS(=O)(=O)C(C)(C)C)n1 79051954 UYFJAFCRMCXAJB-GFCCVEGCSA-N 315.439 1.390 0 40 DDAB Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2c(C)noc2n1 36614154 KZOOPAMHJVFQMO-GFCCVEGCSA-N 300.362 1.760 0 40 DDAB COCC(=O)N1CCC[C@H](c2nccnc2-n2ccnc2)C1 72350612 LMOOCQJQYRPVJD-LBPRGKRZSA-N 301.350 1.015 0 40 DDAB CSc1ccc(C)c(C(=O)NCCCN2C(=O)CNC2=O)c1 78712828 XITRBIXLNNUQPV-UHFFFAOYSA-N 321.402 1.389 0 40 DDAB COC(=O)c1nnn2cc(-c3ccccc3OC)nc(O)c12 80316405 OVXBYOKFYLWEOJ-UHFFFAOYSA-N 300.274 1.292 0 40 DDAB C[C@H]1CCn2ncc(C(=O)N=c3nc[nH]n3C(C)(C)C)c2C1 572245405 YEIXPPFKWMRHCQ-JTQLQIEISA-N 302.382 1.486 0 40 DDAB CCN(CC)CCCN1C[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C 225419685 SZZQJDIGWSDDGT-UONOGXRCSA-N 305.488 1.073 0 40 DDAB O=C([C@@H]1CCCN1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 195554625 IPDIYZKVICRARH-OLZOCXBDSA-N 309.797 1.857 0 40 DDAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc(O)c1 40267309 XMXVUFHJXYIDBR-UHFFFAOYSA-N 300.314 1.395 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)c1conc1C)CC2 96228075 MXHPHFHLJOJOOI-UHFFFAOYSA-N 321.377 1.227 0 40 DDAB O=C1COC2(CCN(c3ncccn3)CC2)CN1CC1CC1 96201391 HEFREVUTXIOFCD-UHFFFAOYSA-N 302.378 1.084 0 40 DDAB C[C@H](O)CN(C)C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 96490366 OQVHRVUEQLLTSJ-GXTWGEPZSA-N 302.378 1.716 0 40 DDAB COCCC1(C(=O)NCc2nnc3n2CCCCC3)CCC1 96471718 KFBBCIXFRCBLRG-UHFFFAOYSA-N 306.410 1.828 0 40 DDAB Cn1nc(C(=O)NCCc2nnc3ccccn23)c2ccccc21 95477362 QEHNFUABVWGEHF-UHFFFAOYSA-N 320.356 1.589 0 40 DDAB CN(C)CCN1CCC2(CCN(CC3CCOCC3)CC2)C1=O 96046788 WDBYWXVXWGDVQP-UHFFFAOYSA-N 323.481 1.289 0 40 DDAB CC(C)C(=O)N1CC[C@]2(CC(C(=O)NCc3ccco3)=NO2)C1 96225890 GSEBRUFHHHWIIZ-INIZCTEOSA-N 319.361 1.299 0 40 DDAB CCS(=O)(=O)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042140 UCQSRHWAEACDOB-MELADBBJSA-N 312.391 1.042 0 40 DDAB Cc1ncn(C[C@@H](O)CN2CCc3ccccc3C2)c(=O)c1C 97238477 QHZCPTQUSAGWDG-KRWDZBQOSA-N 313.401 1.279 0 40 DDAB c1coc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1 96052373 VTZGTOGKKPKCKX-SJORKVTESA-N 317.389 1.926 0 40 DDAB C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)Oc1ccc(F)cc1 96431487 RIJWWFDGLDNUSO-NSHDSACASA-N 310.369 1.872 0 40 DDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)c2ccc(C)o2)C3)n1 96110044 FSGXJMNGUOQSEM-IAQYHMDHSA-N 303.318 1.320 0 40 DDAB COCCN1CC[C@H]2[C@@H]1CCC(=O)N2Cc1csc(C)n1 96064706 PALRLIJMJNNPBE-KBPBESRZSA-N 309.435 1.663 0 40 DDAB COCCC(=O)N1CCC(NC(=O)c2cscc2C)CC1 96480755 VGCLIAGRUPSSKK-UHFFFAOYSA-N 310.419 1.814 0 40 DDAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 96252909 DWINRCLZUYCTBA-HZSPNIEDSA-N 309.410 1.253 0 40 DDAB O=C(NCc1cccnc1)[C@H]1CN(CC2CC2)C[C@H]2OCC[C@H]21 96065585 QBSMAHMYKJWWSG-YESZJQIVSA-N 315.417 1.445 0 40 DDAB CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccs1 96184317 SGQUIUBWPUKNSW-LSDHHAIUSA-N 307.463 1.527 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)[C@@H](C)CSC)O1 253392592 DPKPPLZBXGZODC-QWQWKMKNSA-N 315.435 1.696 0 40 DDAB CCOCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 298073912 ANHRJOKPFLDHGB-UHFFFAOYSA-N 312.797 1.542 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 575405208 GZVLINKQEOWLOW-BNOWGMLFSA-N 302.378 1.045 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCC2)C1 575404976 QMQPTPPXAARSDC-BNOWGMLFSA-N 302.378 1.045 0 40 DDAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCC3)on1 585094112 BLZGNYVVGYEOLN-UHFFFAOYSA-N 308.359 1.650 0 40 DDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)CCC(=O)O)C2)c1 585269531 YCMRKDQCOLEEOR-INIZCTEOSA-N 307.346 1.202 0 40 DDAB COC[C@H]1CN(C)C2(C1)CN(S(=O)(=O)c1cccc(C)c1)C2 585093741 BGLQVOYNJSKQSN-CQSZACIVSA-N 324.446 1.336 0 40 DDAB O=c1c2ccccc2nnn1CN(C[C@H]1CCOC1)C1CC1 44979232 PASQVWAEUVNUDF-GFCCVEGCSA-N 300.362 1.250 0 40 DDAB CCN1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1 55093244 HCGKXQBMABKTHE-UHFFFAOYSA-N 321.396 1.500 0 40 DDAB COC(=O)Cn1nc2c3c(C)c(C)sc3nc(C)n2c1=O 12144870 OIUNSDGBKUNZOW-UHFFFAOYSA-N 306.347 1.204 0 40 DDAB C[C@@H](O)CNCC(=O)NCCc1ccc(Cl)cc1Cl 6085798 ZMQGFSJLMOZFOU-SECBINFHSA-N 305.205 1.623 0 40 DDAB Cc1nc(N2CC[C@H](N3CCOC3=O)C2)cc(C(F)(F)F)n1 853806801 NGYOCTUHSUBUKW-VIFPVBQESA-N 316.283 1.835 0 40 DDAB Cc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ncn1 1888842651 JZDQNTGRLQPHRZ-UHFFFAOYSA-N 310.405 1.780 0 40 DDAB NC(=O)c1cc(OC2CN(c3nc4ccccc4o3)C2)ccn1 1888906326 HBRKRWCRXZVSNV-UHFFFAOYSA-N 310.313 1.589 0 40 DDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC(Oc2cccnc2)C1 238883393 PQGDNXJPWROKFD-UHFFFAOYSA-N 310.313 1.968 0 40 DDAB COc1c(C)cccc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037983700 CPPSOXUEDLLHOO-HOTGVXAUSA-N 318.417 1.683 0 40 DDAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CO3)cn1 1614935249 XINPNAHLLHUCGA-MRXNPFEDSA-N 317.433 1.969 0 40 DDAB Cc1nnc2ccc(N3CC(Cn4ccnc4C(C)C)C3)nn12 2087139486 XHNISTBJOHHFOH-UHFFFAOYSA-N 311.393 1.889 0 40 DDAB O=C(c1cc[nH]c1)N1CCCn2nnc(CN3CCCC3)c2C1 1565553773 DZDJMSZMSAKEPM-UHFFFAOYSA-N 314.393 1.248 0 40 DDAB COCCN1C[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2C1=O 1565553860 FHQHXRXSHSHBFT-KEYYUXOJSA-N 306.406 1.296 0 40 DDAB COC(=O)[C@H](C)Sc1ccc2nnc(-c3cccnc3)n2n1 4327890 MKWPTILCYUURSY-VIFPVBQESA-N 315.358 1.840 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CN2CCCC2)cc1 31903750 IHUYFKIORSRPOT-AWEZNQCLSA-N 312.435 1.072 0 40 DDAB O=S(=O)(NC[C@H]1CCCN1c1nccs1)c1cccnc1 206782923 FTLDUMLCLZDBMV-LLVKDONJSA-N 324.431 1.485 0 40 DDAB COc1cncc(N(C)Cc2nccn2CC(F)(F)F)n1 96461371 DLPWTEJBUXRAKZ-UHFFFAOYSA-N 301.272 1.880 0 40 DDAB NC(=O)C1CCN(CCCCNCc2cccc(F)c2)CC1 30911346 RZWUAGWPPHQHAV-UHFFFAOYSA-N 307.413 1.893 0 40 DDAB Cc1cccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)n1 31371044 VFUNCNMTOVUMTF-UHFFFAOYSA-N 322.415 1.985 0 40 DDAB O=C(NCCNC(=O)[C@H]1Cc2ccccc2S1)c1ccco1 40490430 JEORJALTOXAGLX-CQSZACIVSA-N 316.382 1.843 0 40 DDAB c1ccc(-n2nnnc2N2CCN(c3ccccn3)CC2)cc1 100843038 KEGBWVHCLZSJSU-UHFFFAOYSA-N 307.361 1.384 0 40 DDAB CN(C)C(=O)CN1CCCN(Cc2nc3ccccc3o2)CC1 40520403 QMWHMYLPLGCNBU-UHFFFAOYSA-N 316.405 1.424 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N(CC1CC1)C[C@H]1CCCO1 20913873 FPLSIXMLXQZGRN-CYBMUJFWSA-N 300.362 1.989 0 40 DDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccccc1 77507 OZKVAPKROGCLLD-UHFFFAOYSA-N 308.337 1.989 0 40 DDAB O=C(COc1ccccc1)N[C@H](Cc1ccc(O)cc1)C(=O)O 123511 HSYAGHIHFNRDNL-OAHLLOKOSA-N 315.325 1.583 0 40 DDAB O=C(CCCNC(=O)[C@@H]1C[C@H]1c1ccco1)Nc1cn[nH]c1 97212459 UEMDZMBZOXTQMU-VXGBXAGGSA-N 302.334 1.641 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1Cn1cccn1 84318436 UVNJGAOYZRCNCT-UHFFFAOYSA-N 309.373 1.937 0 40 DDAB CCOc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 78789153 XPPCCRRCVRENJJ-IAGOWNOFSA-N 318.417 1.757 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccn1 42379767 QCQSEVOULGISDG-JSGCOSHPSA-N 301.390 1.907 0 40 DDAB Cc1cc(C(F)(F)F)nc(CNC(=O)Nc2nncs2)n1 23619503 VNGZNOKSBNGVOW-UHFFFAOYSA-N 318.284 1.977 0 40 DDAB COCCCNC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 61721074 SJKQRPLXHHZNJC-UHFFFAOYSA-N 316.357 1.720 0 40 DDAB CC(=O)Nc1ccc(C(=O)CSc2nncn2C)c(F)c1 7171337 YJPOIAPSDXOJBO-UHFFFAOYSA-N 308.338 1.888 0 40 DDAB O=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccco1 24442842 KICLREGVHFRNCA-UHFFFAOYSA-N 312.322 1.127 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CN(Cc2cnn(C)c2)C(C)C)C1=O 55034449 AWDZAUZRVZBIHS-AWEZNQCLSA-N 321.425 1.555 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 8091124 VRLJFUGXHNPXFC-UHFFFAOYSA-N 318.204 2.000 0 40 DDAB Cc1nn2c(=O)cc(COC(=O)c3cccs3)nc2s1 8605518 MWLRCMGZCJEPER-UHFFFAOYSA-N 307.356 1.878 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 8768345 ZDHUIDNPELYPTB-AWEZNQCLSA-N 320.345 1.513 0 40 DDAB COc1cc2c(cc1OC)[C@H](O)C[C@@H]2NC(=O)C(F)(F)F 1394842 JISVZQDTSKRCPM-DTWKUNHWSA-N 305.252 1.861 0 40 DDAB CCN1CCO[C@H](C(=O)N[C@H](C)c2ccc(OC)c(F)c2)C1 107147558 JAWGRBKILOJAMM-ABAIWWIYSA-N 310.369 1.732 0 40 DDAB Nc1ncnc2c1ncn2CCCOC(=O)[C@H]1C[C@H]2CC[C@H]1C2 107346592 CBAXEVNDEPFHLZ-SRVKXCTJSA-N 315.377 1.778 0 40 DDAB C[C@@H](CNC(=O)c1cc(F)cc2cccnc12)c1nnn[nH]1 97377536 MLRJPCMWDHVRLK-QMMMGPOBSA-N 300.297 1.421 0 40 DDAB CC(C)CN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 9317361 FVDNTXDXZSYKFG-AWEZNQCLSA-N 301.346 1.498 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1 26881783 GRJMMOYXEXJJLE-LLVKDONJSA-N 322.386 1.549 0 40 DDAB COCCNC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 57775591 RWARNSNOZYWNRG-LLVKDONJSA-N 322.283 1.564 0 40 DDAB CCCOc1ccc([C@@]2(CC)NC(=O)N(CC(=O)O)C2=O)cc1 57842197 OLPBKBBZDRONGK-MRXNPFEDSA-N 320.345 1.717 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1 100175003 QBAAYTJNDVIWIZ-XUXIUFHCSA-N 313.309 1.306 0 40 DDAB O=C(NC[C@H]1CCCO1)NC[C@H](c1ccco1)N1CCCC1 44892415 CKTPPBJAZBLEAP-ZIAGYGMSSA-N 307.394 1.895 0 40 DDAB CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58278977 KDUYCMWYBXHSED-SNVBAGLBSA-N 300.280 1.800 0 40 DDAB NC(=O)N1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 114137615 QGKRHFLOAXTCSE-SNVBAGLBSA-N 301.268 1.588 0 40 DDAB O=C(C[C@@H]1CCCO1)NCCS(=O)(=O)Cc1ccccc1 48265487 OJUHDUKLSWGSEO-AWEZNQCLSA-N 311.403 1.287 0 40 DDAB COc1ccc(Br)cc1CNCCNC[C@@H](C)O 22075408 LAWKATZMBVEEBB-SNVBAGLBSA-N 317.227 1.518 0 40 DDAB Cn1cnnc1SCCCCN1C(=O)c2ccccc2C1=O 36676708 PJUOXKCZAZEZCP-UHFFFAOYSA-N 316.386 1.984 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 100747135 AZERMEIHQZCSDJ-XUXIUFHCSA-N 301.298 1.482 0 40 DDAB Cc1nn(C)c2c(N3CCN(C(=O)C4CCC4)CC3)ncnc12 28557353 JUADRPHKUPDQRM-UHFFFAOYSA-N 314.393 1.120 0 40 DDAB COC[C@@H](O)CN(C)c1ccc2nnc(-c3ccccc3)n2n1 60381309 FKPJFJNMGKHRGW-ZDUSSCGKSA-N 313.361 1.235 0 40 DDAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C)CC2)c1 2634796 HLNUVJFYPBPCMF-UHFFFAOYSA-N 320.389 1.692 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(C)C)c1C 3483702 ZWUOIJITCAAXTM-UHFFFAOYSA-N 310.350 1.490 0 40 DDAB CCOC[C@H](O)CN1CCN(Cc2ccc(OC)cc2)CC1 95396825 YUMDNONFWOFUHD-MRXNPFEDSA-N 308.422 1.210 0 40 DDAB CN1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1=O 65502833 AVDONIJRNUPFBT-MRXNPFEDSA-N 321.465 1.579 0 40 DDAB CC(C)CCN1Cc2cccc(NC(=O)Cn3cnnn3)c2C1 65554301 UIZWCXRNUNWNLZ-UHFFFAOYSA-N 314.393 1.674 0 40 DDAB O=C(O)CCCn1cc(NC(=O)COc2ccccc2F)cn1 4694892 RSQYUVCMXAITNG-UHFFFAOYSA-N 321.308 1.905 0 40 DDAB Cn1c2c(c(=O)n(C)c1=S)[C@@H]1c3ccccc3OC[C@@H]1CO2 6624137 MGJYRALOYDNBNL-SKDRFNHKSA-N 316.382 1.986 0 40 DDAB biogenic CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 7512504 ZPNIJWCAUWHNJD-JTQLQIEISA-N 304.346 1.398 0 40 DDAB CN1C[C@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)CCC1=O 96415484 QHJJKCHFMZXQDZ-TZMCWYRMSA-N 305.353 1.733 0 40 DDAB CO[C@@H]1CCC[C@H]1OC(=O)CCN1C(=O)c2ccccc2C1=O 96405619 CKKZBKJSEBUGEH-ZIAGYGMSSA-N 317.341 1.783 0 40 DDAB COCCN1CC[C@@H](CNC(=O)c2ccc(OC)cc2OC)C1 68493745 JRXJHPFRMVWEAE-ZDUSSCGKSA-N 322.405 1.402 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 71841994 ZEZOURYPUBOEIB-INIZCTEOSA-N 320.352 1.829 0 40 DDAB CCOc1ccc(-c2noc(CN3CCNC(=O)CC3)n2)cc1 71841165 CHILQKLBXDVBQV-UHFFFAOYSA-N 316.361 1.457 0 40 DDAB COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 8245157 RYKGZUUMWFDFRV-QWRGUYRKSA-N 320.345 1.237 0 40 DDAB NC(=O)C1CCN(C(=O)NCCc2ccccc2Cl)CC1 71837302 VPZNQAZNXVKEAJ-UHFFFAOYSA-N 309.797 1.789 0 40 DDAB CC(C)c1nnc2n1CCN(Cc1nnc(C3CC3)n1C)C2 71871977 QBCLJUUGKFQZEL-UHFFFAOYSA-N 301.398 1.423 0 40 DDAB Cn1ccnc1CN1CCN(CCOCC(F)(F)F)CC1 69442862 CIINVDTUTLFZCH-UHFFFAOYSA-N 306.332 1.117 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)n2cccn2)CC1 71820927 XRMLOPKDWKZYQQ-CYBMUJFWSA-N 317.393 1.393 0 40 DDAB Cc1ccnc(NC(=O)COCC(=O)Nc2cc(C)ccn2)c1 69520758 XVXKVSDQWPVTOM-UHFFFAOYSA-N 314.345 1.687 0 40 DDAB CN1C(=O)COc2ccc(C(=O)Cn3nnc4ccccc43)cc21 19951227 PFYHNDROKZBUMW-UHFFFAOYSA-N 322.324 1.669 0 40 DDAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2nnsc2Cl)C1=O 69744562 SKJFVHXMPNKYSL-LBPRGKRZSA-N 323.765 1.554 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(C[C@@H]3CCOC3)C2)o1 83827820 LNLBJCUKRSRHHZ-LSDHHAIUSA-N 321.421 1.696 0 40 DDAB Cc1ccc(F)c2c1N(Cc1cc(=O)n(C)c(=O)n1C)CCC2 69846797 PKMBKFOWBNEWQZ-UHFFFAOYSA-N 317.364 1.484 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1CCn2c(nnc2C2CC2)C1 84098732 UBYVYHYRBOAZAA-SECBINFHSA-N 318.406 1.455 0 40 DDAB Cc1ccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)n1C 9884603 IUBMRQLWCCTHGK-UHFFFAOYSA-N 310.357 1.429 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC2(C1)OCCO2 95431912 FIXSCDSDKCBRIM-AWEZNQCLSA-N 316.401 1.409 0 40 DDAB CC(C)N(c1cnn(C)c1)S(=O)(=O)c1cn(C(C)C)cn1 97021203 ZGCCKAKGHXUOEL-UHFFFAOYSA-N 311.411 1.801 0 40 DDAB O=C(c1cn[nH]n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 72272833 CSOYROTZPNMCGS-CYBMUJFWSA-N 314.345 1.943 0 40 DDAB Cc1cnc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)cn1 73950574 PFALTRQAJVUYOY-WCQYABFASA-N 310.357 1.793 0 40 DDAB COCCOc1ccc(NC(=O)NOCC(F)(F)F)cn1 95967446 NPVLMOFAFFVWGZ-UHFFFAOYSA-N 309.244 1.722 0 40 DDAB CCn1ccnc1CN1CCO[C@H](CN(C)c2cccnn2)C1 89310008 CLMWTOBICBJUPM-CQSZACIVSA-N 316.409 1.030 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(c2cn[nH]c2)CC1 89420066 XKANCBSKZZHVQJ-NSHDSACASA-N 316.361 1.527 0 40 DDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)c3nc(C4CC4)no3)CCO2)n1 76049014 WSKNAMZVHQQFMM-KWQFWETISA-N 304.354 1.508 0 40 DDAB CCC(CC)(CNC(=O)c1ccc2[nH]cnc2c1)S(C)(=O)=O 76089299 MHXUQPDDXCHADB-UHFFFAOYSA-N 323.418 1.896 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76053466 QVSGITREAWUMEE-TZMCWYRMSA-N 321.421 1.899 0 40 DDAB c1coc(-c2nnc3sc(-c4ccn5nnnc5c4)nn23)c1 66088304 CCHGMKSLUCTDCK-UHFFFAOYSA-N 310.302 1.551 0 40 DDAB Cc1cccc(NC(=O)[C@@H]2CN(C)CC3(CCNCC3)O2)c1 306127448 FYWBHXJWXMCKLY-HNNXBMFYSA-N 303.406 1.386 0 40 DDAB CC(C)C[C@H](C)OC(=O)NC1CCN(c2nnnn2C)CC1 521394708 CSUVDPLDCOGBTF-NSHDSACASA-N 310.402 1.340 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408602287 CSGJYBLCMMNFHT-NSHDSACASA-N 314.407 1.197 0 40 DDAB Cn1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cn1 25305275 ZKALBXPXGKBDHC-UHFFFAOYSA-N 309.329 1.277 0 40 DDAB CNc1ccc([C@H]2CN(C(=O)c3ccnn3C)CCO2)nc1 72388066 GJBYQWBQHRFAGY-CQSZACIVSA-N 301.350 1.071 0 40 DDAB Cc1n[nH]c2c1[C@@H](c1ccc(O)cc1)c1c([nH]c(=O)[nH]c1=O)N2 79481510 STAYBDHSRLTCCU-SNVBAGLBSA-N 311.301 1.038 0 40 DDAB Cn1ncc(Cl)c1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 565248530 QAKOKLBFCSRMSR-SECBINFHSA-N 315.757 1.169 0 40 DDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2ccc3ncccc3c2)C1 72368737 OAZCFKPZLMYPNK-AWEZNQCLSA-N 319.430 1.906 0 40 DDAB CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCCN(C)CC1)CC2 526968571 MUHKYVJIQRXEJN-CYBMUJFWSA-N 304.438 1.802 0 40 DDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@]1(O)CCOC1 178906419 SZIYFYXMBGEOFX-HNNXBMFYSA-N 313.781 1.765 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](CNc3ncc(F)cn3)C[C@H]2C)no1 1068272897 ZBWKOOUUDGSFBZ-MWLCHTKSSA-N 319.340 1.875 0 40 DDAB CCc1nnsc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 130738099 UEMCGTRSBKJVDV-LLVKDONJSA-N 317.418 1.894 0 40 DDAB CCCCN(C(=O)Cn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 193269254 YCIXKVHPRZZZEA-CYBMUJFWSA-N 313.423 1.007 0 40 DDAB CC(C)C[C@H](C)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 225570459 WTKJHVSECFMPQZ-WDEREUQCSA-N 304.412 1.024 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 225805874 MDUIXAJXLILVOA-IHVVCDCBSA-N 315.329 1.771 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)NCCn1cc(C)cn1 195265615 YMPAEVGEOQBSNT-UHFFFAOYSA-N 309.391 1.487 0 40 DDAB CC(C)N(C)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@@H]21 96040589 DSCUMUKVCULUBS-CFVMTHIKSA-N 308.401 1.940 0 40 DDAB Cn1cc(N2CC[C@@]3(CCCN(c4ncccn4)C3)C2=O)cn1 96048783 YIKNXUPMGKSGAU-MRXNPFEDSA-N 312.377 1.234 0 40 DDAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)C3CC3)C[C@H]21 514290373 ZBNRVEYAPRNCJE-OCCSQVGLSA-N 304.321 1.280 0 40 DDAB biogenic,in-vitro CN(C)[C@H](CNS(=O)(=O)c1cncc(F)c1)c1ccccc1 96406077 QHKCXMZUPPSJFQ-OAHLLOKOSA-N 323.393 1.802 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H]2CCCOC2)cc1 96430927 HUVBRJBSYVRSPN-CVEARBPZSA-N 316.401 1.781 0 40 DDAB Cc1ccc(NC(=O)C[S@@](=O)c2nnc(C(C)C)n2C)cc1 96450262 KFWGAJHWQIYFJJ-QFIPXVFZSA-N 320.418 1.993 0 40 DDAB CCn1nc(Cc2cccs2)nc1[C@@H]1NCCc2[nH]cnc21 96136353 VYRQNHITBCNNFE-CQSZACIVSA-N 314.418 1.909 0 40 DDAB CCN(CC)c1ncnc2c1CCN(C1CCOCC1)CC2 96255823 ALVPAXMVBSZWQS-UHFFFAOYSA-N 304.438 1.902 0 40 DDAB C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](c2ccco2)C1 96441275 DPTTXSZVJJYBTL-RYUDHWBXSA-N 317.345 1.129 0 40 DDAB CC(=O)N1CCN(Cc2ccc(C)o2)C[C@]2(CC(=O)N(C)C2)C1 97952736 VDFBJJIWVXEFIQ-QGZVFWFLSA-N 319.405 1.101 0 40 DDAB COc1ncc(NCc2ccc(-n3ccnc3)cc2)cc1C(N)=O 96494362 RGNZFMYQKANQFD-UHFFFAOYSA-N 323.356 1.987 0 40 DDAB CC(C)[C@@H](C(=O)NCCn1cnnc1C1CC1)N1CCCCC1 96412669 GGFPWMNCLVZLOQ-HNNXBMFYSA-N 319.453 1.782 0 40 DDAB Cn1cc(CN2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)cn1 96245223 CBTYFVFAHQMDQR-JSGCOSHPSA-N 302.403 1.576 0 40 DDAB CC(C)c1cc(NCC(C)(C)N2CCS(=O)CC2)ncn1 96429549 VLBICZZNPGEYFL-UHFFFAOYSA-N 310.467 1.855 0 40 DDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccno3)C2)c1F 245108394 SVDPUYGMPQXVGB-VIFPVBQESA-N 306.297 1.460 0 40 DDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCC2CC2)cn1 257282075 OSGCKYXOEHDMLJ-UHFFFAOYSA-N 312.373 1.648 0 40 DDAB Cn1ccc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 257313783 UUCXZGRZZMCFIY-NVXWUHKLSA-N 315.373 1.465 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3ccnc(C)n3)C2)n1 257304078 SJZDAOSDXXOIMV-HNNXBMFYSA-N 315.377 1.198 0 40 DDAB Cc1ocnc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257334138 YERXZHWVWMAWTA-LBPRGKRZSA-N 302.334 1.945 0 40 DDAB C[C@]1(C(=O)NCCO)CCCN1Cc1ccc(OCCF)cc1 257264976 LWUJTFCRKVEXDZ-QGZVFWFLSA-N 324.396 1.498 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 257244821 IMYPCYJYQOZGQH-SFHVURJKSA-N 316.401 1.081 0 40 DDAB C[C@]1(C(=O)O)CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 62912709 DCZRPZPOWLHLQY-AWEZNQCLSA-N 311.359 1.027 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257310638 UFYBLUQMLLWDDK-LLVKDONJSA-N 302.334 1.807 0 40 DDAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CCC(=O)NC3)cc2)c1C 572180741 UBYQKKOIXKHLHC-ZDUSSCGKSA-N 312.373 1.954 0 40 DDAB CN(C)C(=O)NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21 585111764 BGZQBQHSKJXMOW-ZDUSSCGKSA-N 317.393 1.694 0 40 DDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 26756803 RJNYCTHVFDVAOU-OQPBUACISA-N 320.349 1.039 0 40 DDAB Cn1ncc2c(NCCC(=O)NC3CCCCC3)ncnc21 54124997 BNVCSHAVNJKOPJ-UHFFFAOYSA-N 302.382 1.614 0 40 DDAB O=C(c1ccc(Cl)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85436621 SBSJCGJKBIPDFH-HNNXBMFYSA-N 308.809 1.869 0 40 DDAB COC(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)cc1 97298249 QOPXYTGGBVRZPM-LBPRGKRZSA-N 316.313 1.333 0 40 DDAB COc1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 301712864 YPNOWKFSCSVQOX-UHFFFAOYSA-N 318.406 1.541 0 40 DDAB CCn1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)n1 14248921 FMGTYEOXKKFYLI-UHFFFAOYSA-N 311.363 1.721 0 40 DDAB CC(C)[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 15396638 XUZKWUAJVAZPGR-GFCCVEGCSA-N 309.753 1.855 0 40 DDAB CN1C[C@H](c2cc(=O)[nH]c(NCc3cccc(F)c3)n2)CC1=O 19587512 CIKATQHVUNFKCV-LLVKDONJSA-N 316.336 1.467 0 40 DDAB O=C(CN1CCCC[C@H]1C(=O)O)NCc1cccc(Cl)c1 158360458 YQYHPLIYMAASOR-ZDUSSCGKSA-N 310.781 1.895 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 167812882 SNRGCDIVKASPQX-UHFFFAOYSA-N 312.391 1.672 0 40 DDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 1642753 VUYWLCHFKCFCNH-MNOVXSKESA-N 314.382 1.611 0 40 DDAB COc1ccccc1NC(=O)C[C@@H](NC[C@@H]1CCCO1)C(=O)O 4280033 YCFOOSURMNLMEP-WCQYABFASA-N 322.361 1.246 0 40 DDAB Cn1cnc(CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 257330358 XOAORPDIZHAKBY-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CC2)C1=O 3600417 VFQUQQIZBCCZCE-OAHLLOKOSA-N 321.764 1.386 0 40 DDAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2nccnc2N)c1 10140293 QQLRZEORGLSUQH-JTQLQIEISA-N 300.318 1.551 0 40 DDAB CCN=c1cc(C)nc(N2CCN(c3cncc(C)n3)CC2)[nH]1 1889090973 KOEWSZLQWCMFHD-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB CC(C)(C)SCCN1CCN(CCS(C)(=O)=O)CC1 252495587 OTZDFZMNNYIPSN-UHFFFAOYSA-N 308.513 1.180 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1Cl 36300055 CQOVRWSFZLQJAL-UHFFFAOYSA-N 318.826 1.721 0 40 DDAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1CC1CCC1 2086928909 MOMDKOWNMDLKOF-UHFFFAOYSA-N 314.341 1.571 0 40 DDAB Cc1nnc(CN2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1C 2087128228 AROZSYSHQFEZDR-ZDUSSCGKSA-N 307.442 1.592 0 40 DDAB COC[C@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 5190798 QHUPJRAPGKRJBZ-RYUDHWBXSA-N 321.377 1.135 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)co1 2086886927 FBBOYXYSLDQWTR-CYBMUJFWSA-N 313.423 1.371 0 40 DDAB O=C(NCCCN1CCCC1=O)c1cc2ccccc2[nH]c1=O 40489307 UTRNNNGPJOTWCJ-UHFFFAOYSA-N 313.357 1.270 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cnn(C)c1 40528212 NZBIPGNUQHOQAI-DGCLKSJQSA-N 301.412 1.294 0 40 DDAB C[C@@H](CNS(=O)(=O)c1cnn(C)c1)N1CCc2ccccc21 40539667 ZZAGXYCRDYAZGP-LBPRGKRZSA-N 320.418 1.150 0 40 DDAB C[C@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)N(C)C 40540954 DCKKJMPOXQGGBU-QMMMGPOBSA-N 319.283 1.229 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1cccs1 102396832 IAIDJKISNQWQTJ-STQMWFEESA-N 318.398 1.706 0 40 DDAB CCN1CCN(C(=O)CCc2nc(-c3ccsc3)no2)CC1 52538299 FCJYSCQQQUWAFH-UHFFFAOYSA-N 320.418 1.895 0 40 DDAB Cc1noc(CCCC(=O)N2CCc3ccc(O)cc3C2)n1 52866828 NKBJKQOFQIHYHW-UHFFFAOYSA-N 301.346 1.991 0 40 DDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O 41616454 FDNOFKRCDLVSNN-JHJVBQTASA-N 307.394 1.114 0 40 DDAB CN1C(=O)[C@@](O)(CC(=O)c2cc(O)ccc2O)c2ccccc21 120347 CQPGVDJOLZVQBY-QGZVFWFLSA-N 313.309 1.535 0 40 DDAB O=C(O)CCC(=O)Nc1ccccc1NC(=O)CCC(=O)O 125574 MDRIAZIWGWIIHR-UHFFFAOYSA-N 308.290 1.293 0 40 DDAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1cccc(-n2cnnn2)c1 78894107 KPZDBWQKIUOYOD-CABCVRRESA-N 323.360 1.382 0 40 DDAB COC[C@@H](C)N1CCN(Cc2cccc(NC(C)=O)c2)CC1 79015667 UZZOARVRUIRKHP-CQSZACIVSA-N 305.422 1.798 0 40 DDAB CC(C)C[C@@H](N[C@H](c1ccccc1)P(=O)(O)O)C(=O)O 1590387 CZFVOVQMWGYAFW-NEPJUHHUSA-N 301.279 1.952 0 40 DDAB CCOC(=O)c1c(NC(=O)CN(C)C)sc(C(C)=O)c1C 3372422 ODRNWXDGIVWKCL-UHFFFAOYSA-N 312.391 1.936 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c(C)c1 24689492 GBAPYJSHUXPOPN-CQSZACIVSA-N 324.446 1.847 0 40 DDAB COc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1 108525854 RKUMKIDGPXBCGE-UHFFFAOYSA-N 324.446 1.599 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)NOCc1ccccc1 25286042 CFCSYGQGIDBMOI-UHFFFAOYSA-N 305.355 1.952 0 40 DDAB NC(=O)[C@@H]1CN(Cc2c(Cl)cccc2N2CCCC2)CCO1 97033897 XOOQABCMVTYIPX-HNNXBMFYSA-N 323.824 1.626 0 40 DDAB COc1ccc(CN2C[C@H](C(=O)NCC(C)C)CC2=O)cc1 34916638 JSHLJKXPCXBOSB-CQSZACIVSA-N 304.390 1.816 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)Nc2ccc(OC)nc2)CC1 48018038 UVMHLEALWPQERM-CYBMUJFWSA-N 321.425 1.238 0 40 DDAB COc1ccccc1N1CCN(CCNC(=O)C(C)C)CC1 56997328 RKRYNEOOIYUZJG-UHFFFAOYSA-N 305.422 1.589 0 40 DDAB COc1ccc(-c2nnn(C[C@@H]3CCCCO3)n2)cc1OC 58870017 YPQCCCBHXUNTGR-LBPRGKRZSA-N 304.350 1.926 0 40 DDAB O=C1NC(=O)[C@]2(CCN(C(=O)c3cc4c(s3)CCCC4)C2)N1 72290695 SYBZMVWSEJDWAN-OAHLLOKOSA-N 319.386 1.051 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)sc1C 72297535 AYYDCJBHHBXXKU-NSHDSACASA-N 306.395 1.153 0 40 DDAB CCOc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1Cl 101675392 ZNVDXARTZRKKEP-SNVBAGLBSA-N 321.724 1.709 0 40 DDAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CCO)CC1 44874159 PRVBYZLIHBBEEM-ZDUSSCGKSA-N 302.378 1.408 0 40 DDAB CN(Cc1ccco1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 44890963 QISPTGQKUAVUNU-UHFFFAOYSA-N 323.374 1.269 0 40 DDAB C[C@H](NC(=O)CCn1cccn1)c1ccc2c(c1)OCCO2 48253481 BJAFFUJXXAAUOL-LBPRGKRZSA-N 301.346 1.922 0 40 DDAB COc1ccc(S[C@H](C)C(=O)NCCC(=O)N(C)C)cc1 58209246 CCLXGVOAYHUFME-LLVKDONJSA-N 310.419 1.770 0 40 DDAB CN1CCN(c2cc(CNC(=O)c3ccoc3)ccn2)CC1 48262177 JZNXWTQGCIEFDJ-UHFFFAOYSA-N 300.362 1.356 0 40 DDAB COc1ccc(CNC(=O)C(=O)Nc2cccnc2OC)cc1 44901685 ZDWJRZZGYKBOBA-UHFFFAOYSA-N 315.329 1.354 0 40 DDAB c1coc([C@H](CNC[C@H]2CNc3ccnn3C2)N2CCCC2)c1 58328241 FPUKLTTYLMQXHK-GJZGRUSLSA-N 315.421 1.945 0 40 DDAB O=C(CNc1ccc(-n2cnnn2)cc1)NC1CCCCC1 58326672 ACABTXCAEZNVJM-UHFFFAOYSA-N 300.366 1.523 0 40 DDAB Cc1ccc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 45008087 GZXXJDUJQPVFBB-UHFFFAOYSA-N 323.462 1.453 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CCCN1C(=O)CN(C)C1=O 72702460 CMNLYMLFSNJOTL-GFCCVEGCSA-N 315.373 1.638 0 40 DDAB Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(C)nn2C)c1 97114401 XFXKHTUNENQCSL-UHFFFAOYSA-N 300.771 1.886 0 40 DDAB CSc1nc(C)nc(C)c1C(=O)N1CCc2[nH]ncc2C1 72864962 PGAHJXNAYMFQGZ-UHFFFAOYSA-N 303.391 1.737 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)c(F)c1 45742162 VVBKNLYSYREHTG-SECBINFHSA-N 301.318 1.528 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 48305198 KATJHVXOULIMCX-GXTWGEPZSA-N 319.405 1.647 0 40 DDAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102598349 QGPIRIBENPIUCZ-OYSCOCTPSA-N 317.385 1.726 0 40 DDAB CNC(=O)[C@H]1CN(Cc2nc(C3CC3)no2)c2ccccc2O1 29431656 XBFSINMBUDTHOC-CYBMUJFWSA-N 314.345 1.461 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CC(=O)N(C2CCCC2)C1 97197773 BGTQVIZETBUOBF-CHWSQXEVSA-N 316.405 1.105 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccn(C)c(=O)c1)C1CCCCC1 46948809 IMHCWYXIRGZBEZ-OAHLLOKOSA-N 305.422 1.626 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nccnc1N 3567254 ZZJKKQZNKNMBNE-UHFFFAOYSA-N 320.736 1.816 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@H]1COc2ccccc2C1 97159783 UMUASYSGDUUOFJ-HNNXBMFYSA-N 315.417 1.833 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1cnc(N(C)C)nc1 93092555 AONOMAARXBXHRI-WCQYABFASA-N 304.398 1.243 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)cc1 13691330 ZMDYAKPJLNWOKG-GFCCVEGCSA-N 315.333 1.507 0 40 DDAB CC(C)OCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 6015145 BZTUBPFCDXQTDN-UHFFFAOYSA-N 308.378 1.504 0 40 DDAB O=C(NCCN1CCCCC1)C(=O)Nc1ccnc(Cl)c1 13727565 CPKSPVQBZFATBQ-UHFFFAOYSA-N 310.785 1.276 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)NC1=NCCS1 5171811 ZDPBOXICNXCEBN-UHFFFAOYSA-N 307.375 1.034 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)c(=O)[nH]1 65551581 XRHPXZUAQZERRU-KBPBESRZSA-N 322.405 1.582 0 40 DDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C2CCCC2)c1 65515557 HQBVZMSIAFHXRV-UHFFFAOYSA-N 321.352 1.560 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCOc2cccc3ccccc23)C1 65523588 FCUNYODDGUDVHC-AWEZNQCLSA-N 312.369 1.943 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 14182195 ADWKBVJZLLECFC-OAHLLOKOSA-N 314.316 1.980 0 40 DDAB CN1CCN(CCCCNS(=O)(=O)c2cccs2)CC1 65606184 NJWGIZZXCGPIKD-UHFFFAOYSA-N 317.480 1.054 0 40 DDAB CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 14305109 MJWSWGCBQFXINS-VIFPVBQESA-N 305.758 1.738 0 40 DDAB O=C(NC[C@H](O)C(F)(F)F)c1cn(-c2ccc(F)cc2)nn1 72312174 PWHODNHWNKNWCT-JTQLQIEISA-N 318.230 1.059 0 40 DDAB O=C(c1n[nH]c2c1CCC2)N1CCCN(C2CCCC2)CC1 97212569 MVCFDPNLCLSTQS-UHFFFAOYSA-N 302.422 1.989 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)C(C)C 9313954 BZOGXUTZGMKMPH-IUODEOHRSA-N 306.362 1.103 0 40 DDAB O=c1ccc2cc(S(=O)(=O)NCc3ccncc3)ccc2o1 4934523 FKELJGHTRMJRTM-UHFFFAOYSA-N 316.338 1.667 0 40 DDAB O=C(NCc1ccncc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 9364490 LIWOBGRUQNNNFF-INIZCTEOSA-N 322.368 1.933 0 40 DDAB NC(=O)COC(=O)c1ccc(Cn2nnc3ccccc32)cc1 7169451 HXVFMHZKZVTORZ-UHFFFAOYSA-N 310.313 1.122 0 40 DDAB CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccco2)c1 7197630 PFHXXYGDYBCWFQ-UHFFFAOYSA-N 316.313 1.825 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)O[C@H](C)C(=O)NC1CC1 7438911 BLJPTHQUFDDHPN-LLVKDONJSA-N 319.357 1.651 0 40 DDAB COC[C@H]1CCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 96447205 BODGZTZCFKUTLO-ZDUSSCGKSA-N 309.414 1.335 0 40 DDAB CC(C)(CNC(=O)CSCC(=O)c1ccccc1)C(N)=O 69350150 BLLHXFUGIGQNST-UHFFFAOYSA-N 308.403 1.230 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CCCc3ccccc32)[C@H](C)CO1 69489811 JZOMRIUSLFUYLS-KGLIPLIRSA-N 316.401 1.992 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CCC1 69415766 FZKYSVKEPTXJJP-CYBMUJFWSA-N 304.394 1.271 0 40 DDAB CC(C)c1nc2c(n1C)CCN(CCC(=O)N1CCOCC1)C2 69512511 XVGVGAVXTRGRBN-UHFFFAOYSA-N 320.437 1.151 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1ccc3c(c1)OCCO3)CC2 69621243 UZZKVHXUSBBNAJ-CYBMUJFWSA-N 314.389 1.716 0 40 DDAB C[C@@H]1CCC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)[C@@H]1C 69982722 VMWNPTDHFDKNDY-UTUOFQBUSA-N 311.469 1.165 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@@H]2CCCC[C@H]21 71808783 UJLWYWXQSQJRLU-ZIAGYGMSSA-N 313.357 1.707 0 40 DDAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccco2)cc1 8705762 KBEFWIBJLIVOCH-UHFFFAOYSA-N 303.270 1.402 0 40 DDAB CN1CCC(CNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 71883682 MMLRJKYIPKTAHF-KRWDZBQOSA-N 303.450 1.617 0 40 DDAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc2[nH]cnc2c1 71858807 DBWYPMWKIWMBQP-UHFFFAOYSA-N 308.301 1.871 0 40 DDAB C[C@H]1C[C@@H](OC(=O)CCCn2c(=O)oc3ccccc32)C(=O)O1 84686025 FSQWLEGIPUIXFZ-GXFFZTMASA-N 319.313 1.622 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCCn1ccnc1 83884498 YLYPKQHXKNBPGY-ZIAGYGMSSA-N 307.394 1.901 0 40 DDAB CC[C@H](C)CS(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 84721701 DTJDXHNMXRUOGO-KBPBESRZSA-N 304.456 1.016 0 40 DDAB CCn1c(Cn2nc(COC)oc2=O)nc2c(F)cccc21 95448549 LSBTWGFCEKMZHH-UHFFFAOYSA-N 306.297 1.540 0 40 DDAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 95431616 UYYYGXBKVYYPJS-UHIISALHSA-N 313.444 1.853 0 40 DDAB CS(=O)(=O)C[C@H](NC(=O)Cc1cccnc1)c1ccccc1 95431696 HMSBWOCGINULPL-HNNXBMFYSA-N 318.398 1.526 0 40 DDAB C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)N1CCN(C)CC1 95979613 BVXYCBBFHLQMOS-QWHCGFSZSA-N 323.462 1.462 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1 95940291 TVBWGTLHBMXQGD-MFNGEMCRSA-N 318.417 1.813 0 40 DDAB C[C@H](CNC(=O)N1CCO[C@H](Cc2ccccc2)C1)[S@](C)=O 95988928 FCOCIKMUQYIQQK-DZKLMBRESA-N 324.446 1.407 0 40 DDAB c1ccn2c(CN3CCN(C4CCOCC4)CC3)cnc2c1 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1.983 0 40 DDAB O=S(=O)(O)c1c(Br)cncc1Br 71255593 DGNDJAITEAXEKU-UHFFFAOYSA-N 316.958 1.853 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 74051906 GZMPJFPYHAGWGT-HIFRSBDPSA-N 304.390 1.719 0 40 DDAB Cc1nc(N2CCN(C=O)CC2)ccc1[C@@H](N)c1ccccc1 72224735 TZCRMQIDFLJBJH-SFHVURJKSA-N 310.401 1.717 0 40 DDAB Cn1c([C@H]2CCN(C(=O)c3cnccn3)C2)nc2ccccc21 49171248 BOOGKZPIPGJEJH-LBPRGKRZSA-N 307.357 1.993 0 40 DDAB biogenic,in-vitro Cc1cc(C(=O)NCc2ccccc2)nc(N2CCOCC2)n1 71195527 SZWCACSEPVEJPV-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB CCCCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 224954246 NOGPLIJCAUUELE-UHFFFAOYSA-N 320.440 1.601 0 40 DDAB CO[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 571337331 PJIPEMHBMIYIIF-WFASDCNBSA-N 320.389 1.500 0 40 DDAB CN1CCC[C@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 41124056 FVYUNFXANZJKHN-GOSISDBHSA-N 321.440 1.400 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(COC)cc1 83028409 FCGPXXGPYHKLFD-RYUDHWBXSA-N 313.419 1.910 0 40 DDAB CNC(=O)c1ccc(CNC(=O)c2cc(C(C)C)n(C)n2)cc1 81831678 WQCDRBIZOHVTNU-UHFFFAOYSA-N 314.389 1.833 0 40 DDAB Cc1nc2ncnn2c(N2CCN(CC(C)C)C(=O)C2)c1C 195571679 BIXQORLZXVOOBL-UHFFFAOYSA-N 302.382 1.046 0 40 DDAB COc1ncc(Br)cc1NS(=O)(=O)C1CC1 90411167 TUDBLSAJTTWSMY-UHFFFAOYSA-N 307.169 1.757 0 40 DDAB CO[C@@H](C(=O)NC[C@H](C)N1CCN(C)CC1)c1ccccc1 96403429 VXOGGOYDEQVCLP-GOEBONIOSA-N 305.422 1.126 0 40 DDAB Cc1cccc(C)c1NCC(=O)N[C@H](C)CCN1CCOCC1 96426497 CLIWYATYMDAJMT-MRXNPFEDSA-N 319.449 1.942 0 40 DDAB Cn1cccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c1=O 97101193 UOMQFHLAAKOKNO-CQSZACIVSA-N 318.421 1.725 0 40 DDAB CC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@H]2CN)CC1 97234917 YJENEXFXAVONTA-ZDUSSCGKSA-N 303.472 1.412 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1c2ccccc2C[C@H]1C 96427214 NNAZUIPMAFQXIY-WBMJQRKESA-N 324.446 1.708 0 40 DDAB CC(C)c1nccn1CC(=O)N[C@H](C)C(=O)N1CCCCC1 96500034 QFAZPPMNABYTEJ-CYBMUJFWSA-N 306.410 1.524 0 40 DDAB CCOC[C@@H]1CCC2(CCN(C(=O)c3ccnn3C)CC2)N1C 96207163 OTDUJQSBASFVPZ-AWEZNQCLSA-N 320.437 1.526 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@@H]2C1 96205818 AUVCUDWEWJRLMA-JKSUJKDBSA-N 303.406 1.491 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 96043168 DYUGIRMMEJDMRT-XQQFMLRXSA-N 309.435 1.519 0 40 DDAB Cn1ccnc1CN1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 96161386 DRIVQEPGTVELJS-MAUKXSAKSA-N 310.401 1.526 0 40 DDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccn1 96424182 CWWDTSIWZMOLPY-LBPRGKRZSA-N 305.403 1.922 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CCN2CC2CC2)O1 96057381 RGENXUSWGUVISG-OAGGEKHMSA-N 304.390 1.928 0 40 DDAB CC(=O)Oc1ccccc1C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O 253488368 AJKFRUOUFGUWKO-RKDXNWHRSA-N 324.285 1.174 0 40 DDAB Cc1nc(C)c(C(=O)Nc2cnc(-n3cccn3)nc2)s1 85470373 HFMBNHGIIHVNES-UHFFFAOYSA-N 300.347 1.988 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2ccc3ccccc3n2)[C@H]1O 257242656 IDNNQCRKZYFWEQ-FVQBIDKESA-N 300.358 1.893 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 257304816 SNGAPPSYDDBQTE-CQSZACIVSA-N 306.410 1.070 0 40 DDAB CC[C@](CNC(=O)C(=O)Nc1ccon1)(OC)c1ccccc1 96123795 CVNOKXQLYVMBAO-MRXNPFEDSA-N 317.345 1.681 0 40 DDAB O=C(c1ccno1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616829 KGWWIDKVBHKBBP-GFCCVEGCSA-N 324.340 1.862 0 40 DDAB Cc1noc(C)c1CN1CCOC[C@]2(CC(=O)N(C(C)C)C2)C1 585104564 QNFSSWMKMYJBKS-QGZVFWFLSA-N 321.421 1.751 0 40 DDAB Cc1ncoc1C(=O)N1CCC[C@]12CC(C)(C)O[C@H]2CC(N)=O 585288051 OLEGERWIVBAIMS-MEDUHNTESA-N 321.377 1.401 0 40 DDAB CC(C)N1CCC(C(=O)N2CCC[C@]3(CCC(=O)O3)C2)CC1 585283843 PFDPZHKCNZZXRT-KRWDZBQOSA-N 308.422 1.805 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC2(CCOCC2)C1 1551496168 REWPIISKUJDLIO-HZPDHXFCSA-N 315.417 1.823 0 40 DDAB COCCN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 69537643 FSZLMJABWKRXPL-CYBMUJFWSA-N 316.398 1.215 0 40 DDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccccn1 44003498 LQPJQEYZANTNPL-UHFFFAOYSA-N 323.418 1.016 0 40 DDAB O=C(O)c1cccc(CS(=O)(=O)NC[C@H]2CCCOC2)c1 38044411 JYLKGNQYTYJGAR-GFCCVEGCSA-N 313.375 1.231 0 40 DDAB CCn1cnnc1CNCc1csc(-c2ncccn2)n1 58293127 JPADTGCZXXGIEK-UHFFFAOYSA-N 301.379 1.501 0 40 DDAB Cc1cccc(-c2noc(CN3C(=O)NC(C)(C)C3=O)n2)c1 60803084 IPPIZENLZUUHDW-UHFFFAOYSA-N 300.318 1.875 0 40 DDAB CCOc1ccc(OCCOC(=O)c2nccnc2N)cc1 12823373 SUTJORQMEKDLCB-UHFFFAOYSA-N 303.318 1.693 0 40 DDAB C1C[C@H](C2OC([C@@H]3CCOC3)OC([C@@H]3CCOC3)O2)CO1 13567138 WUUWFOUZAJPQLX-YEFJSXCHSA-N 300.351 1.138 0 40 DDAB COC(=O)c1cc(=O)n(C)/c(=N/c2ccc(C(=O)O)cc2)s1 105430818 CNZSULGTXRWJSN-PFONDFGASA-N 320.326 1.164 0 40 DDAB Cc1nnc(N2CCO[C@@](C)(C(=O)N(C)C)C2)c2ccccc12 19746914 BYCBBKJXXXLDRA-QGZVFWFLSA-N 314.389 1.622 0 40 DDAB O=C1[C@H](N2CCC[C@@H](COc3ncccn3)C2)CCN1C1CC1 1849062666 UKDYAXHMUVKULC-UKRRQHHQSA-N 316.405 1.331 0 40 DDAB NC(=O)[C@@]1(F)CCN(Cc2ccccc2Br)C1 1849339579 WQYAYZLTZDPVFS-GFCCVEGCSA-N 301.159 1.848 0 40 DDAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)no1 1888891041 DJRFZPDMVOUQSM-OAHLLOKOSA-N 312.329 1.632 0 40 DDAB COc1cccc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1 1889131811 NJVLEZXRAOTKEH-AWEZNQCLSA-N 324.446 1.741 0 40 DDAB O=C(CCOc1ccc(F)cc1)NCc1nnc2ccccn12 24674995 FDQDIFLAVHFPCF-UHFFFAOYSA-N 314.320 1.954 0 40 DDAB CN1CCO[C@H]2CN(C(=O)CCc3ccccc3F)CC[C@@H]2C1 1565548250 WBMZVCJHEFIAAT-WBVHZDCISA-N 320.408 1.937 0 40 DDAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C 4008541 XOIVLXGUDVXAJJ-IHWZXDPASA-N 321.465 1.385 0 40 DDAB C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 30377599 HUDJGUNHBFJLGY-VIFPVBQESA-N 310.375 1.437 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 50246622 WTKGRVNKRIZNOZ-SECBINFHSA-N 308.325 1.675 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 40467973 BREPIMCXUBSWCQ-LLVKDONJSA-N 315.366 1.286 0 40 DDAB COC[C@@H](C)NC(=O)CCCn1cnc2ccccc2c1=O 40480749 AKLODFKYFHWEMX-GFCCVEGCSA-N 303.362 1.328 0 40 DDAB c1cncc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)c1 40539826 YLGNRZLQOGFKSV-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1nnc(-c2ccccn2)s1)C(C)C 40553997 FZDOEQHJGPWGBV-NSHDSACASA-N 319.390 1.699 0 40 DDAB COc1ccccc1CNc1c(NCCCN(C)C)c(=O)c1=O 101678376 BSRNVHNHFKPWNT-UHFFFAOYSA-N 317.389 1.267 0 40 DDAB CC(C)C[C@@H](C(=O)NC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020285 JVAOWNDOYAQKMM-MJBXVCDLSA-N 306.406 1.877 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H]1Cc2ccccc2O1 41177414 WRMVJNOIWQFLRN-TZMCWYRMSA-N 300.362 1.575 0 40 DDAB COCCCNC(=O)C1CCN(C(=O)c2ccccc2C)CC1 21896218 OGIYWHGOGCPAPV-UHFFFAOYSA-N 318.417 2.000 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 479430 NDVBTOVMGJWUJE-UHFFFAOYSA-N 316.810 1.631 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)CSc1nc(C)cc(C)n1 33210530 GZZOWPTZGLNVFS-LBPRGKRZSA-N 322.434 1.313 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cncn2)c1 41998984 WPHBDVZDHOUTIP-AWEZNQCLSA-N 316.361 1.659 0 40 DDAB Cn1ccc(CN2CCN(Cc3cccs3)CC2)cc1=O 42112670 AQBBRDDHYWBVRS-UHFFFAOYSA-N 303.431 1.765 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCn1cnc2c1c(=O)n(C)c(=O)n2C 42128783 AKBAQMQLJRLPLJ-RYUDHWBXSA-N 320.393 1.029 0 40 DDAB Cc1c([C@H](C)NC(=O)NC[C@H](c2ccco2)N(C)C)cnn1C 47792570 YPCUMJQZQPMLGK-SMDDNHRTSA-N 319.409 1.985 0 40 DDAB CCCOc1cccc(C(=O)NC(=S)Nc2nnn(C)n2)c1 1854852 BCEUGNBSKTXYRG-UHFFFAOYSA-N 320.378 1.126 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 12563368 FLHKCTUPMIRJFI-IJLUTSLNSA-N 306.362 1.852 0 40 DDAB CCCC[S@@](=O)C[C@@H]1CO[C@@H](C[S@@](=O)CCCC)CO1 105107416 WDTXZNJFCMZNEA-YKLJGAPNSA-N 324.508 1.868 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NCCC(C)C)cc1 6325884 KFXUDZPTOLABLA-UHFFFAOYSA-N 315.391 1.563 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)nc1O 24479816 DENSQADLVQERFP-UHFFFAOYSA-N 314.267 1.812 0 40 DDAB Cc1csc(=O)n1CCOC(=O)c1n[nH]c2ccccc12 12530907 WZYRWFSZJLYHBF-UHFFFAOYSA-N 303.343 1.952 0 40 DDAB Cn1cnnc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 24690877 VZQRPZYHMHQWDW-UHFFFAOYSA-N 302.353 1.903 0 40 DDAB COc1ccccc1CCNC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102353544 HUFBTXFPSGZORT-XQLPTFJDSA-N 317.341 1.008 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)o1 25274402 MRNWYCYGSJCRDO-VHSXEESVSA-N 300.380 1.496 0 40 DDAB COCCNC(=O)[C@H]1CN(Cc2ccccc2C)[C@@H]2CCO[C@H]12 108525928 CTUQMSHLIDXZOG-GVDBMIGSSA-N 318.417 1.347 0 40 DDAB O=C1O[C@@]23CCC[C@H]2[C@H]2[C@H]4[C@H]5[C@H]6[C@@H]7CCC[C@]78OC(=O)[C@@]2([C@@H]58)[C@]16[C@H]43 104287800 BUGJQNBAIFDVLY-IHFNVBIISA-N 324.376 1.916 0 40 DDAB Cc1cccnc1CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 108371538 ZFMIYQRJMFPQGF-GJZGRUSLSA-N 324.446 1.558 0 40 DDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 57355462 XDXFMVFAWRPMTE-RDJZCZTQSA-N 317.433 1.664 0 40 DDAB O=C(NC[C@H]1CCCN1Cc1ccccc1)NCC1(O)CCC1 95399596 AYFLMKYSJTVFPF-MRXNPFEDSA-N 317.433 1.865 0 40 DDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)C2[C@H]3CCCC[C@H]23)C1 104191718 BLOOAOZHUDWTKH-AGIUHOORSA-N 314.451 1.353 0 40 DDAB CN(C)[C@H](CNC(=O)CNC(=O)CC(C)(C)C)c1ccccc1 58282467 IRINKQHZRITMIR-OAHLLOKOSA-N 319.449 1.958 0 40 DDAB COc1ccc(CCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 58265050 DOLPIXUUNDBJAL-WBVHZDCISA-N 318.417 1.607 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107263651 WZTUAIHCKFNPNF-HRCADAONSA-N 301.390 1.197 0 40 DDAB Cc1ccccc1S(=O)(=O)N1CCC[C@@]2(CCNC2=O)CC1 108531278 QJOLVBPATBQGGZ-MRXNPFEDSA-N 322.430 1.676 0 40 DDAB CC1=NNC(=O)[C@@H]1C(c1ccccc1Cl)[C@H]1C(=O)NN=C1C 100922662 HJKZSTIQINGLLG-RYUDHWBXSA-N 318.764 1.667 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O 2135227 MTODZIVDZDTPKB-YGRLFVJLSA-N 317.345 1.012 0 40 DDAB biogenic CN(C)CCCNc1c(NCc2cccc(F)c2)c(=O)c1=O 101683516 RYLPBOJSQHMXCG-UHFFFAOYSA-N 305.353 1.397 0 40 DDAB COc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1O 20937620 SMEHQPBYPNHGSX-SECBINFHSA-N 312.416 1.744 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)cc1N(C)C 95441159 AZOMEZIXEZDDBM-IUODEOHRSA-N 312.435 1.500 0 40 DDAB O=C(OC[C@H]1CCCO1)C1CCN(C(=O)N2CCCC2)CC1 58915041 UAJLQNGCHILYLC-CQSZACIVSA-N 310.394 1.636 0 40 DDAB O=C(CCC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 11086474 KTFPKEQGQOSPNU-UHFFFAOYSA-N 324.384 1.788 0 40 DDAB C[C@@H]1CN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@@H](C)O1 45790862 HYQJMXNHCYNNRE-VXGBXAGGSA-N 303.362 1.466 0 40 DDAB CCOC(=O)[C@H](CSCC(=O)O)NC(=O)OC(C)(C)C 2576487 BGTFXDMIBSMDEY-QMMMGPOBSA-N 307.368 1.261 0 40 DDAB CCCn1nc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)ccc1=O 60567816 RSOVRLNWHLSCLT-JSGCOSHPSA-N 304.394 1.010 0 40 DDAB CC(C)CNC(=O)CSc1nnc(-c2ccncc2)n1C 3588008 HWIZBCIFEJSFTN-UHFFFAOYSA-N 305.407 1.741 0 40 DDAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c2ccccc2n1 3521946 PIQMRNAOSBJILR-VIFPVBQESA-N 301.302 1.283 0 40 DDAB CCn1ccc(=O)n(Cc2nc(-c3ccsc3)no2)c1=O 13009728 ZJWRCOCBIMKLHR-UHFFFAOYSA-N 304.331 1.190 0 40 DDAB CC(C)C[C@@H](CO)NS(=O)(=O)c1cccc2cccnc12 95432898 MZABPZUBNOHHFW-ZDUSSCGKSA-N 308.403 1.920 0 40 DDAB Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)n2ncnc2n1 64538518 IRUJQWKTCMWNHU-UHFFFAOYSA-N 316.409 1.882 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)nn1 5026094 PFHWFEOONOEHSZ-UHFFFAOYSA-N 302.334 1.710 0 40 DDAB CCCCS(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 96000653 BREZXMAWILBWEJ-LLVKDONJSA-N 300.428 1.436 0 40 DDAB C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCc2sccc2C1 96014172 FAITXKLKUYPADF-MRXNPFEDSA-N 321.446 1.363 0 40 DDAB C[C@@]1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCS(=O)(=O)C1 4337728 XMRMWMLMLJAQOK-ANNMTPNPSA-N 311.447 1.896 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)CCC2 65550152 CABMGLJCGYWBHE-MLGOLLRUSA-N 300.402 1.830 0 40 DDAB Cc1cc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)no1 14152907 GPAPBDOBLQMXEK-UHFFFAOYSA-N 301.224 1.311 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O 6543303 HADUAGLRZGYBHF-LBPRGKRZSA-N 317.389 1.974 0 40 DDAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1CCC(=O)N1 4689144 UFXKTFFJFSQFCM-DYVFJYSZSA-N 323.437 1.341 0 40 DDAB COC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2C=CCCC2)CC1 97084626 GOPGOSBAJNVMMT-ZFWWWQNUSA-N 308.422 1.875 0 40 DDAB O=C(NCc1nnc2n1CCC2)N[C@@H]1CCC[C@@H](C2CC2)C1 80574685 SSEIFTOJMBNPMK-CHWSQXEVSA-N 303.410 1.992 0 40 DDAB COc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](CO)C3)c12 96499868 DSEZTCNWIGWNTG-GFCCVEGCSA-N 317.389 1.743 0 40 DDAB COC(=O)c1ccc(CCC(=O)N[C@@H](C)c2nc(C)no2)cc1 68092758 JQRADOUQUHARKG-JTQLQIEISA-N 317.345 1.975 0 40 DDAB CS(=O)(=O)CC1(CC(=O)N2CC(=O)Nc3ccccc32)CC1 80862844 BWAGZAWFORRQFU-UHFFFAOYSA-N 322.386 1.187 0 40 DDAB CCCNC(=O)CN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 80927047 JMMHVMAORFCIPN-AWEZNQCLSA-N 318.421 1.567 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)C[C@@H]3CCCCO3)C2)no1 71870485 KWQOSBHEXVXOIU-GJZGRUSLSA-N 308.426 1.843 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 28236815 NVTHSVAHHXVNLW-UHFFFAOYSA-N 316.380 1.826 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1noc(-c3ccccc3)n1)CC2 71879329 BKBQMAMLIIFSLE-CYBMUJFWSA-N 310.361 1.741 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1 71875802 RLNNAHPFKZLPCT-CQSZACIVSA-N 317.393 1.981 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)C1 69322954 MAXCRTBFDAXPSW-STQMWFEESA-N 318.439 1.048 0 40 DDAB CC[C@](C)(NC(=O)C1=NO[C@@H](c2ccccc2)C1)C(=O)OC 69322925 YOZKVCPVVGAGGZ-CJNGLKHVSA-N 304.346 1.962 0 40 DDAB O=C(NCCc1ccccn1)N[C@@H]1CCN(c2ccccc2)C1=O 69377023 IIUACTASBTVCIA-MRXNPFEDSA-N 324.384 1.729 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCn2ncnc21 71826674 RMUGODQQSZFDNR-GXFFZTMASA-N 300.318 1.243 0 40 DDAB O=C(NC1CC1)c1ccc(CN[C@@H]2CCc3ncnn3C2)cc1 69490059 FUMTYNUODBTSKL-OAHLLOKOSA-N 311.389 1.275 0 40 DDAB O=C(NCc1nc(C2CC2)no1)N[C@H]1CCN(C2CCCC2)C1 71882565 ZLSXLKDQQDYBDQ-LBPRGKRZSA-N 319.409 1.763 0 40 DDAB COc1ccc(Cl)cc1CN1CCN([C@@H](C)C(N)=O)CC1 69515919 TZYDLJVZGYHUFS-NSHDSACASA-N 311.813 1.340 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](c3ccn[nH]3)C2)on1 72270660 GQHSMOIUCDVDDW-NEPJUHHUSA-N 303.366 1.913 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N2CCCCC2)cc(C)c1C 17320372 GKMXBXTYIXJVGW-UHFFFAOYSA-N 310.419 1.838 0 40 DDAB CCOc1ncccc1C(=O)NCC(=O)OCc1ccccc1 17638689 VJNABJMRUAYYEY-UHFFFAOYSA-N 314.341 1.954 0 40 DDAB COc1ccccc1CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 69895707 YJSFZJNJMFICER-HNNXBMFYSA-N 316.401 1.755 0 40 DDAB CN(C)C(=O)CNC(=O)N(Cc1ccc(F)cc1F)C1CC1 72270894 HKJIWKUGNKWXKY-UHFFFAOYSA-N 311.332 1.727 0 40 DDAB CC(=O)NCc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1 95969727 ZFUNHPUVTNQOGW-UHFFFAOYSA-N 313.313 1.668 0 40 DDAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N)n2C)c(F)c1 89616738 FELDKYINKIPTEE-MRVPVSSYSA-N 309.370 1.964 0 40 DDAB Cn1nnnc1S[C@@H]1CCCN(Cc2ccccc2)C1=O 89635763 BYTCNCWVBNCVIE-GFCCVEGCSA-N 303.391 1.493 0 40 DDAB Cc1ccccc1Cc1cnc(NC(=O)[C@H]2CNC(=O)N2)s1 89690427 BBDIEMQWZYIOLA-GFCCVEGCSA-N 316.386 1.662 0 40 DDAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NS(=O)(=O)Cc1ccon1 76094838 XMKJTIRDGQRWMI-ZIAGYGMSSA-N 320.370 1.733 0 40 DDAB CC(C)Cn1ncnc1CN[C@@H](C)c1nnc2n1CCCC2 120120151 FNBXNOQADMBZGV-LBPRGKRZSA-N 303.414 1.713 0 40 DDAB O=C1CN(C(=O)CNc2ccc3c4c(cccc24)CC3)CCN1 25612516 QBYXWBZGUFUFSB-UHFFFAOYSA-N 309.369 1.309 0 40 DDAB COC[C@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 181156266 HCRRHLVZKXAKQL-JTQLQIEISA-N 301.318 1.849 0 40 DDAB CC(C)(C)OC(=O)NC1(c2noc(Cn3cncn3)n2)CCC1 78775014 GEHXDWCTAHSGFJ-UHFFFAOYSA-N 320.353 1.613 0 40 DDAB O=S(=O)(NC1CCCCC1)c1cnn(-c2ccccn2)c1 72238957 IBIVCWWLCMYBLF-UHFFFAOYSA-N 306.391 1.878 0 40 DDAB O=C1CC[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)CN1 78607620 NMYITOYBBUAMLW-JTQLQIEISA-N 318.764 1.990 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccn(C)n2)o1 36700475 LFSUGDJVUVHDMX-JTQLQIEISA-N 313.317 1.876 0 40 DDAB Cc1cc(C)n(-c2cncc(NCCN3CCOCC3)n2)n1 78979638 NJPOKPXTQWJYKW-UHFFFAOYSA-N 302.382 1.023 0 40 DDAB CC(=O)N1CCCC[C@H]1c1cc(CCC(=O)N(C)C)nc(C)n1 72366973 OOXPCCRUVYHSRO-INIZCTEOSA-N 318.421 1.879 0 40 DDAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NC(C)C)c1=O 44840410 BZEPYHZOGNDVJH-GFCCVEGCSA-N 317.389 1.659 0 40 DDAB Cc1cc(N2CCOCC2)nc(CNC(=O)C2CCCCC2)n1 224175609 ZKWMYOWTDJKVFD-UHFFFAOYSA-N 318.421 1.818 0 40 DDAB O=C(NCC(F)(F)F)c1csc(Nc2ncccn2)n1 49032251 YAQVQFDUEARRRI-UHFFFAOYSA-N 303.269 1.969 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1cccc(F)c1 224216072 GNJGLLSOKFBPOK-UHFFFAOYSA-N 316.336 1.382 0 40 DDAB O=C(NCC[C@H]1CCCO1)N1C[C@@H]2[C@@H](C1)CN1CCCC[C@H]21 195530793 VSIHOIRCGNTOAP-KLHDSHLOSA-N 307.438 1.681 0 40 DDAB CC(C)NC(=O)N1C[C@@H]2Oc3ccccc3C(=O)N(C)[C@@H]2C1 514289029 FHRKYCWHLHJYGU-OCCSQVGLSA-N 303.362 1.322 0 40 DDAB biogenic,in-vitro COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(C)=O 222898235 JWSDKJPXXWNKOK-LBPRGKRZSA-N 310.369 1.715 0 40 DDAB CCC(C)(C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 224835284 ITZYDEOCNYXUSQ-UHFFFAOYSA-N 320.440 1.600 0 40 DDAB CCOc1ccccc1NC(=S)NCCN1CCCC1=O 225811560 WPGDYNXAUNDTKG-UHFFFAOYSA-N 307.419 1.994 0 40 DDAB COC(=O)COc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 48308058 VFAYMCSXVBFETD-RYUDHWBXSA-N 322.361 1.880 0 40 DDAB CC(C)(C)CC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O 514288754 BXFNDIZQEORNDU-GMXVVIOVSA-N 320.380 1.008 0 40 DDAB biogenic,in-vitro C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1 195550912 ZQMFOMBJXWCQBW-CWRNSKLLSA-N 304.390 1.817 0 40 DDAB Cc1cccn2c(CCN3C(=O)c4ccccc4C3=O)nnc12 82238009 MWCLRYWGZQWMQO-UHFFFAOYSA-N 306.325 1.876 0 40 DDAB c1cc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)ccn1 96058653 QTSMQTTVMRLMFG-OAHLLOKOSA-N 310.401 1.976 0 40 DDAB CCCN1CCC(N2CCN(CCCC(=O)OC)CC2)CC1 96407764 VRIIBVVGTVVTIP-UHFFFAOYSA-N 311.470 1.432 0 40 DDAB CC(C)Cn1cc(NC(=O)N2CCC(C(=O)N(C)C)CC2)cn1 96435528 USXKDJJHNLDZIS-UHFFFAOYSA-N 321.425 1.871 0 40 DDAB CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)[C@@H]1CC(=O)NC1=O 95938929 KJWNQEJNWQRLDL-HBNTYKKESA-N 306.387 1.424 0 40 DDAB Cc1nc([C@@H]2CCN(C(=O)C3CN(C4CCCCC4)C3)C2)n[nH]1 333988457 IDWQKOSXWOGQFJ-CYBMUJFWSA-N 317.437 1.694 0 40 DDAB CNC(=O)CN1CCCn2cnc(COCc3ccco3)c2C1 96259987 WFJKGWXNUWWONP-UHFFFAOYSA-N 318.377 1.145 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)o1 96184536 QJTNPROJEVOVTH-CVEARBPZSA-N 314.389 1.811 0 40 DDAB O=C(c1ccno1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377371 YODQCLBURYISLN-UHFFFAOYSA-N 310.306 1.112 0 40 DDAB CC(C)Cn1ccnc1CNS(=O)(=O)N1CCCCC1 96492585 JHGBUIRGJLAZKV-UHFFFAOYSA-N 300.428 1.359 0 40 DDAB CCOCc1nc(N2CCC(O)CC2)ncc1C(=O)OCC 96182660 ANVAMMKWUQWRNE-UHFFFAOYSA-N 309.366 1.151 0 40 DDAB COc1cccc(C(=O)N2CCOC[C@@]3(CCN(C)C3)C2)c1 96201955 IJVKETUTSADRJJ-QGZVFWFLSA-N 304.390 1.490 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C)cc1 96181296 XFKPGLAADXEWKE-HOCLYGCPSA-N 302.374 1.373 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2cccc3[nH]ccc23)CC1 96489619 OAYXUGPAQGDZIB-UHFFFAOYSA-N 307.419 1.635 0 40 DDAB CCc1nnc(NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)s1 96410588 CYGMWKKRGABNFT-JTQLQIEISA-N 323.426 1.258 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 248288506 HWVNXEKECWOICS-CQSZACIVSA-N 320.389 1.505 0 40 DDAB c1cc2nncn2nc1N1CC2(C[C@H](OCC3CC3)CCO2)C1 253596031 MHWHFBWXMOVQQQ-CYBMUJFWSA-N 315.377 1.289 0 40 DDAB CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257247909 JBCYCZZQMMQEBS-HZPDHXFCSA-N 307.438 1.378 0 40 DDAB COC(=O)c1cn([C@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)nn1 253430432 KYTNBOUAERAQMJ-STQMWFEESA-N 322.409 1.659 0 40 DDAB O=C(c1cc(F)ccc1F)N1CCO[C@@H](c2cnccn2)C1 257299124 ROVFTIAZUAXPMP-CQSZACIVSA-N 305.284 1.969 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)n1 257224117 FAKPHLGDLZPXSU-LRDDRELGSA-N 323.393 1.361 0 40 DDAB CO[C@H]1CN(Cc2ccc(OCCO)cc2)CC[C@@]12CCCO2 257277388 NXUCMXUKWSAICE-ROUUACIJSA-N 321.417 1.828 0 40 DDAB Cc1cc2cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)ccc2o1 257292478 QLQZBBJNUWPJLT-QGZVFWFLSA-N 302.374 1.880 0 40 DDAB Cn1cnc(S(=O)(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)c1 257231096 GFFFKMFLBTVZKE-SFDCQRBFSA-N 324.450 1.104 0 40 DDAB CC(C)[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260910101 WQHVVVVVWQBWHQ-OCCSQVGLSA-N 312.435 1.780 0 40 DDAB C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCc2nn(C)cc2Cl)C1 263147881 FDIJPMMBSNZYNR-IUCAKERBSA-N 314.773 1.326 0 40 DDAB COc1ncccc1C(=O)N1CC[C@H](Oc2ccnc(C)n2)C1 585147059 AEOQYXUSNAXTSS-LBPRGKRZSA-N 314.345 1.482 0 40 DDAB O=C(/C=C/c1ccc2c(c1)CCO2)N[C@@H]1CCn2cncc2C1 585141087 PCYMALXQVFIGAM-TXTHVTMNSA-N 309.369 1.962 0 40 DDAB CO[C@@H]1CCN(C2CCCCC2)C[C@H]1CC(=O)N1CCOCC1 585274869 PYICVJZXVTXYMS-NVXWUHKLSA-N 324.465 1.905 0 40 DDAB Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1C(N)=O 53987963 BTEHZYAFAUYQPG-CQSZACIVSA-N 315.377 1.004 0 40 DDAB CCc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)s1 54594631 CMVGKLGDQYEEBP-UHFFFAOYSA-N 307.419 1.940 0 40 DDAB Cc1nc([C@H]2CCCN2[C@H]2CCN(CC(F)(F)F)C2=O)no1 107049693 FRZFLAAPHPQPCH-ZJUUUORDSA-N 318.299 1.678 0 40 DDAB COc1cccc(C2=N[C@@H](C(C)C)CO2)c1NS(C)(=O)=O 200656109 YXGJTTRPXOAJEA-LLVKDONJSA-N 312.391 1.868 0 40 DDAB in-vitro COCCOCCOc1ccccc1OCCOCCOC 5210102 WMNVVUGQDLUOIK-UHFFFAOYSA-N 314.378 1.770 0 40 DDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccn(C)n1 12145005 FPPZELYRZUNSMK-CQSZACIVSA-N 312.377 1.619 0 40 DDAB COc1ccc(-c2cc(CC(=O)N3CCOCC3)no2)cc1 12866225 CTWKLHSHJGAVOG-UHFFFAOYSA-N 302.330 1.752 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 12990885 PMNOXGMATYVNJE-UHFFFAOYSA-N 322.342 1.426 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CC2)c(C)c1 14110193 MVTLVKOWNXSSFT-UHFFFAOYSA-N 310.419 1.559 0 40 DDAB O=C1NC[C@@H](c2ccccc2)C12C(=O)NC[C@@H]2c1ccccc1 16478433 UJALMBUUULDXKH-MCPYQZEQSA-N 306.365 1.800 0 40 DDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCCCCC2)cc1 19169549 RIKRFRZIOAQANX-UHFFFAOYSA-N 324.446 1.930 0 40 DDAB O=C(c1ccco1)N1CCN(C2[C@H]3CCC[C@@H]2CNC3)CC1 19342126 LXPYTHANVWIFDN-MZBDJJRSSA-N 303.406 1.426 0 40 DDAB COc1ccc(OC[C@@H](C)NC(=O)c2cncc(O)c2)cc1 19456715 GMTBCJLKDNAASY-LLVKDONJSA-N 302.330 1.993 0 40 DDAB CCCCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4504483 BEMAIOZKNFFIQG-ZDUSSCGKSA-N 311.403 1.782 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238935172 VLATWJRZYFQLHR-HTQZYQBOSA-N 305.256 1.583 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 250396629 IVEJPPRNMLAXSO-UOVKNHIHSA-N 301.342 1.834 0 40 DDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(S(C)(=O)=O)C3)nc1 1888853241 AJKROCDBIGQHKJ-TZMCWYRMSA-N 311.407 1.226 0 40 DDAB O=C([C@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCC1 1889101159 FGNBCDUVGIGWGC-CYBMUJFWSA-N 321.446 1.455 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055713355 DTCUPVHGIZOCMD-CYBMUJFWSA-N 316.405 1.208 0 40 DDAB O=C(NCC1CC1)c1noc2c1C[C@@H](NC(=O)C1CCC1)CC2 2055739387 UIMVKRAYZWANAV-LBPRGKRZSA-N 317.389 1.588 0 40 DDAB CC(C)C(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738685 KFLXWKKRLVKTAR-LLVKDONJSA-N 305.378 1.540 0 40 DDAB O=C(Cn1c(CO)cnc1SCc1ccccc1)NC1CC1 9827495 FCKRUCVNZNCQMT-UHFFFAOYSA-N 317.414 1.946 0 40 DDAB COC(=O)[C@H](C)NC(=O)NCCc1ccc(OC)c(OC)c1 2108370 ZCTRXKWAPRSFPY-JTQLQIEISA-N 310.350 1.107 0 40 DDAB biogenic O=c1cc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)occ1O 100792736 JRPKRGPSXFEOOO-RYUDHWBXSA-N 314.341 1.126 0 40 DDAB biogenic C[C@H](CNC(=O)CCc1nc(C(C)(C)C)no1)N1CCOCC1 31370348 MMUNKLAQRUIJGK-GFCCVEGCSA-N 324.425 1.137 0 40 DDAB CSc1nn(CCN(C)C)c2nc3sc(C)cc3c(=O)n12 40283072 JHKNPQBEFJTSIM-UHFFFAOYSA-N 323.447 1.698 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)Cc1ccc2c(c1)OCCO2 31389051 ZUFMBOWTVWWNHF-GFCCVEGCSA-N 301.346 1.402 0 40 DDAB CC(C)=CC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 40489512 DQGXPUDLSGDCCP-UHFFFAOYSA-N 317.437 1.615 0 40 DDAB CCOc1ccc(-n2ncc(C(=O)NC[C@@H]3C[C@@H]3C)c2C)nn1 40523795 NYLUAONSYBYTHU-JQWIXIFHSA-N 315.377 1.755 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCOC3)CC2=O)cc1 40514271 ICLHVNCPEJOIIH-STQMWFEESA-N 318.373 1.201 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc[nH]c1=O 32721227 HQGZHVFGUWMZEI-UHFFFAOYSA-N 319.405 1.140 0 40 DDAB COC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@@H]1c1ccc(OC)cc1 102748401 KYGSGSLPOGYTNS-AWEZNQCLSA-N 304.302 1.947 0 40 DDAB O=C(CCc1nc(-c2cccs2)no1)NC[C@H]1CCOC1 41371843 KTKWAYJJVLPSNP-SNVBAGLBSA-N 307.375 1.883 0 40 DDAB O=C(NCc1ccccc1)c1nnn(Cc2ccccc2)c1O 103441192 LNJAFBVFWYAKSF-UHFFFAOYSA-N 308.341 1.962 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 78890010 FWERJJCEVKVLBS-GFCCVEGCSA-N 303.366 1.309 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n[nH]1 78900951 ZYHMKWOSNWWVBE-RYUDHWBXSA-N 302.378 1.571 0 40 DDAB Cc1nccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)n1 79816852 JOQXODSDCWWKHZ-QWHCGFSZSA-N 307.419 1.912 0 40 DDAB O=C(COc1ccc(Br)cc1F)Nc1ncn[nH]1 23143171 KVSAWCLOTVICBF-UHFFFAOYSA-N 315.102 1.724 0 40 DDAB NC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nccs2)CC1 72285862 NNJNZLPDLGRNCR-GFCCVEGCSA-N 322.434 1.987 0 40 DDAB CC(C)COCCCNC(=O)c1cccnc1N1CCOCC1 54918572 YXMDATUNZYKSJV-UHFFFAOYSA-N 321.421 1.711 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1 8723764 JZAQZYQIKQUUEC-LBPRGKRZSA-N 306.366 1.068 0 40 DDAB COc1cc2c(cc1OC)[C@@H]1Cc3c(cnn3C)C(=O)N1CC2 1394954 YAEWIFKURNNDKX-AWEZNQCLSA-N 313.357 1.733 0 40 DDAB C[C@H](C(=O)N1CCN(Cc2cscn2)CC1)n1ccnc1 55449877 NZEJPKZIGRJTCI-GFCCVEGCSA-N 305.407 1.245 0 40 DDAB CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@@H](C(=O)O)C1 62134535 WTZIZFZPXRLIRJ-SECBINFHSA-N 316.810 1.766 0 40 DDAB C[C@H](CC[C@H]1CCCO1)NC(=O)CNC(=O)c1ccccc1 58217849 NMYZIZWZIZFGBQ-UKRRQHHQSA-N 304.390 1.880 0 40 DDAB Cc1ccc2c(Cn3nc4cnccn4c3=O)cc(=O)oc2c1 97107157 UIZCXUQJKRCERZ-UHFFFAOYSA-N 308.297 1.354 0 40 DDAB CCc1nnc(CN2CCNC(=O)[C@@H]2c2ccccc2C)o1 97135336 JAFUNCXIPWCPIH-HNNXBMFYSA-N 300.362 1.614 0 40 DDAB COC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)OC)s1 2268065 AUGFICWNEFPLAO-WDSKDSINSA-N 322.433 1.845 0 40 DDAB CCOC(=O)C1CCN(C(=O)CSC2=NCCS2)CC1 3303283 JXIDDEHMSGNCEU-UHFFFAOYSA-N 316.448 1.624 0 40 DDAB COCCNC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124370 JRWGLKYHASZWMV-BLBBIFAFSA-N 315.369 1.809 0 40 DDAB CCOc1ncccc1CNC(=O)N[C@H](C)CN1CCOCC1 48302340 UWTQBEDQLMVMSM-CYBMUJFWSA-N 322.409 1.000 0 40 DDAB C[C@@]1(C(=O)NC(N)=S)CC1(Br)Br 2361560 ULWRDQDJPNHDGV-YFKPBYRVSA-N 316.018 1.242 0 40 DDAB CC(C)[C@H](C)NC(=O)COC(=O)c1sccc1-n1cnnn1 58938783 NCSZFPCONLTZHG-VIFPVBQESA-N 323.378 1.041 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCc1cccnc1-n1cccn1 36834729 ZWKQLAFAQJWZKF-UHFFFAOYSA-N 324.388 1.477 0 40 DDAB O=C(CN1CCN(c2ccccc2F)CC1)NC[C@H]1CCCO1 29635621 RKNHJCYHWKXSBP-CQSZACIVSA-N 321.396 1.243 0 40 DDAB COc1cccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)c1OC 9045274 DXFIDRCJLFPNCZ-JTQLQIEISA-N 315.329 1.570 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2O1)c1nncn1C 46875642 SRCFRQUHQZAQMC-JQWIXIFHSA-N 301.350 1.179 0 40 DDAB CCOC(=O)c1c2c(nn1C)CCN(C(=O)OC(C)(C)C)C2 71257326 WCJJZLZYQFJHDD-UHFFFAOYSA-N 309.366 1.890 0 40 DDAB COCCCNC(=O)c1cc2c(OC)ccc(OC)c2n1C 72324524 YWSZGOVZZOBPEZ-UHFFFAOYSA-N 306.362 1.962 0 40 DDAB biogenic O=C(OCC(=O)N1CCCCC1)c1cc(=O)c2ccccc2o1 3525482 ZDHYSXAVNJGVKZ-UHFFFAOYSA-N 315.325 1.962 0 40 DDAB COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1cccnc1 96012586 OLFSOALEWLBSQF-CHWSQXEVSA-N 312.391 1.233 0 40 DDAB CN(c1ncnc2c1cnn2CCO)[C@@H]1CCc2ccccc21 97200169 PSMBXZCIVSKJDS-OAHLLOKOSA-N 309.373 1.942 0 40 DDAB COc1ccc(COC[C@H](O)CN2CCn3ccnc3C2)cc1 97201256 ONJGMUYCILHGJM-OAHLLOKOSA-N 317.389 1.285 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 4295252 XJIGKVDNTOPGND-YNZJMPHRSA-N 318.398 1.552 0 40 DDAB O=C(O)[C@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 49864801 OFGAMNCNMYKILX-HDMKULJXSA-N 301.751 1.727 0 40 DDAB Cc1oc(C)c(C(=O)N2CC[C@H](C(N)=O)C2)c1Br 65518295 VXKVADHBSYNEPV-QMMMGPOBSA-N 315.167 1.606 0 40 DDAB OCCN1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 65565737 NWBYKKREYXJFRR-AWEZNQCLSA-N 318.339 1.349 0 40 DDAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CCCO1 65606212 YPPAFQDHWHZQIA-AWEZNQCLSA-N 306.362 1.542 0 40 DDAB O=C1CCc2cc(C(=O)NCC(=O)c3ccco3)c(F)cc2N1 97372602 LEEBSQZCWMJOQY-UHFFFAOYSA-N 316.288 1.916 0 40 DDAB COCCCNS(=O)(=O)c1ccc(Br)cc1 4659084 XBNJVYNMKFDEHA-UHFFFAOYSA-N 308.197 1.764 0 40 DDAB C/C=C\C(C)=C\[C@@H](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1 14593388 ATUBIBZJAGAIBW-KBNKOPQFSA-N 307.390 1.908 0 40 DDAB Cc1cc(NS(=O)(=O)c2cc3c(cc2C)OCC(=O)N3)no1 4788278 GICVPSLNUNPCTM-UHFFFAOYSA-N 323.330 1.423 0 40 DDAB CCN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1 4813669 NFJDBIJKJOLKRQ-UHFFFAOYSA-N 317.433 1.297 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H](C)n2nc(C)nc2C)cc1 4988312 AAQFADRWGLRXJK-NSHDSACASA-N 308.407 1.743 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 67618537 HKIVTEHPCPQANY-HOCLYGCPSA-N 316.401 1.850 0 40 DDAB O=C(c1nc(O)nc2ccccc12)N1CCC[C@]2(CCNC2)C1 67872974 KLHZOCSYIWRWMH-QGZVFWFLSA-N 312.373 1.551 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)OCCO2 16085960 ZLRSUPMGCWUDNZ-UHFFFAOYSA-N 324.358 1.541 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccncc3F)CCO2)n1 83830035 REYREUJNPVICSR-NSHDSACASA-N 305.313 1.115 0 40 DDAB CCCN(C(=O)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 69417848 XGSSMLDZYURAHY-LLVKDONJSA-N 301.433 1.716 0 40 DDAB Cc1noc(Cl)c1CC(=O)N[C@H](Cc1ccccc1)C(N)=O 69486798 STLFFXLRJRJSCA-GFCCVEGCSA-N 321.764 1.392 0 40 DDAB CC[C@H](C)NC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O 8480926 HTWNYUQJPLDNLX-QMMMGPOBSA-N 305.330 1.970 0 40 DDAB biogenic CC(=O)N1CCc2ccccc2[C@@H]1C/C(O)=N/S(C)(=O)=O 69539209 QTMWLOQEHMQFGZ-ZDUSSCGKSA-N 310.375 1.439 0 40 DDAB C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)NCCC1=CCCCC1 69653070 CVHPSHJEIQRWHY-GOEBONIOSA-N 309.454 1.302 0 40 DDAB Cc1cnc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cn1 69879621 LYRHJSYFJXATED-HNNXBMFYSA-N 300.410 1.906 0 40 DDAB CC(=O)c1cccc(NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 69874455 GQFCJQUACDGICQ-PHIMTYICSA-N 312.391 1.655 0 40 DDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CN1CCCCCC1=O 69902021 ZZKZBYBQNVGXGF-GJZGRUSLSA-N 307.438 1.474 0 40 DDAB Cn1ncc2c(N3CCN(c4ccccc4O)CC3)ncnc21 8709306 SGZWOEJXDQCOOR-UHFFFAOYSA-N 310.361 1.396 0 40 DDAB CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 8735393 RCXPAIQUBKQSBQ-KRWDZBQOSA-N 317.389 1.713 0 40 DDAB CCc1nnc(CN(CC)C(=O)c2cnn3c2CCCC3)o1 72122559 VEXCJGSPEJRBMK-UHFFFAOYSA-N 303.366 1.827 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)c1cc2c([nH]c1=O)CCC2 84012192 XMECVIWYWWELAQ-UHFFFAOYSA-N 314.389 1.186 0 40 DDAB Cc1cccc(N(CCO)C2=NS(=O)(=O)c3ccccc32)c1 95470279 PKKXHLJZNWRNGF-UHFFFAOYSA-N 316.382 1.943 0 40 DDAB CC(C)Oc1ccc([C@@H](O)CNC(=O)Cc2ccon2)cc1 95417427 IBCBPECJWMVCED-HNNXBMFYSA-N 304.346 1.854 0 40 DDAB COc1cccc(Cn2cc(NC(=O)c3cnccn3)cn2)c1 28220824 XFAOROSZTWZVCI-UHFFFAOYSA-N 309.329 1.982 0 40 DDAB CCOc1ccccc1OCC(=O)N[C@@H](CC(=O)O)C1CC1 89272135 IXZLAZWJAAFNSX-LBPRGKRZSA-N 307.346 1.834 0 40 DDAB CN1C[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1=O 89374896 KJQOICARFJMZDI-VIFPVBQESA-N 320.773 1.129 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2ccnc3ccccc23)CCS1(=O)=O 89919994 DHISSCDUTBORLY-NEPJUHHUSA-N 318.398 1.882 0 40 DDAB CCO[C@@H](C)c1noc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)n1 76047995 DFJGVRKGALWYNL-ONGXEEELSA-N 322.369 1.167 0 40 DDAB COc1ccc(CC(=O)Nc2c[nH]nc2[C@H]2CCNC2)cc1F 1549745341 LKVNKZZHXPAXOQ-NSHDSACASA-N 318.352 1.816 0 40 DDAB CCOCc1ccccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553427543 OERFOEGIMRTAFV-RDJZCZTQSA-N 303.406 1.856 0 40 DDAB CN(Cc1ccnn1C)C(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 36615354 FJKGNHPIPYGMAU-OAHLLOKOSA-N 316.336 1.711 0 40 DDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H]1[C@@H](C3CC3)[C@H]1C)C2 529347178 GKPCJZDCZDDJRW-SHFUSIIBSA-N 317.433 1.449 0 40 DDAB COC(=O)COc1ccc(CO)cc1I 34772772 SJKGEKBZDFREAP-UHFFFAOYSA-N 322.098 1.335 0 40 DDAB NC(=O)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 36356885 LCXZZUIBFSGUTP-UHFFFAOYSA-N 314.223 1.369 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)C2 79427345 WKMKPFUZCWNEMJ-DLBZAZTESA-N 324.380 1.950 0 40 DDAB CC(=O)NC1CCN(c2cc([C@H]3CCCN3)nc(C)n2)CC1 72365379 NKINUAFGKJSAQA-CQSZACIVSA-N 303.410 1.314 0 40 DDAB CCS(=O)(=O)C1(CNC(=O)OC(C)(C)C)CCNCC1 217929378 DHIGMQLYSQYCAZ-UHFFFAOYSA-N 306.428 1.068 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 32779596 LNVSJMFFJDPTSE-SKDRFNHKSA-N 313.379 1.023 0 40 DDAB Cc1cc(=O)c(O)c(CN2CCO[C@@H](c3ccccc3)C2)n1C 79476361 JMXLWOKJDWRNRL-QGZVFWFLSA-N 314.385 1.973 0 40 DDAB CCCCCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 224804535 NPHDYFYWXPPPTG-AWEZNQCLSA-N 312.435 1.926 0 40 DDAB CC[C@@H](C)NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225880543 CGCOODKKIPWNFU-SSDOTTSWSA-N 305.425 1.376 0 40 DDAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2ncn(C)n2)o1 130580842 FVJUWBGBTODGHU-LBPRGKRZSA-N 319.365 1.601 0 40 DDAB Cc1nn(C)c2cn([C@H](C)C(=O)N(C)Cc3ccnn3C)nc12 40715018 BTEDHTWHTKPXCP-LLVKDONJSA-N 315.381 1.031 0 40 DDAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223562165 RKNVWRHBDGIYHF-UONOGXRCSA-N 303.387 1.948 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c2c(C)nn(C)c2n1 82109608 PSHABWQYBDOYOR-QWRGUYRKSA-N 305.357 1.015 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1cnn(-c2ccccc2F)c1C 195544807 QYKZGEVYJWHKCA-HIFRSBDPSA-N 318.352 1.036 0 40 DDAB COc1cc(C(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)n1 227162411 WOQLNDHNWRMQIY-ZDUSSCGKSA-N 301.346 1.790 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCN)cc1Br 97229266 ZMDIBUCORPLOQB-UHFFFAOYSA-N 307.213 1.385 0 40 DDAB CC(C)C[C@@H](NC(=O)c1ccncc1F)C(=O)Nc1cc[nH]n1 96449549 ZTYZFNXEQMSMOT-GFCCVEGCSA-N 319.340 1.727 0 40 DDAB CCNS(=O)(=O)CCNC(=O)[C@H](C)c1ccc(Cl)s1 95408479 ZDVNSQCBOFSLDK-MRVPVSSYSA-N 324.855 1.561 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2ccc(F)c(C)c2)[C@@H](C)C1 96491181 SIFQEFRDBVNHLM-ZDUSSCGKSA-N 322.380 1.844 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1C 96413596 SVIRPHOSLCIHIS-BZNIZROVSA-N 310.369 1.986 0 40 DDAB O=C(OCCn1cccn1)c1cnn(-c2ccc(F)cc2)n1 96416164 ZBAYZCWJHIFLST-UHFFFAOYSA-N 301.281 1.460 0 40 DDAB O=C(CCc1ccncc1)NC1(C(=O)NCC2CC2)CCCC1 96454615 XVMGBNOKAVFVOW-UHFFFAOYSA-N 315.417 1.969 0 40 DDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)c4ccoc4)C[C@H]3O2)o1 96216072 DVODRFPHHXKNKD-YNEHKIRRSA-N 303.318 1.443 0 40 DDAB O=C([C@@H]1CCCN(CCOC[C@H]2CCCO2)C1)N1CCCC1 247805737 AUTWKVBBEHNFJW-HZPDHXFCSA-N 310.438 1.516 0 40 DDAB O=C(CO[C@@H]1CCOC2(C1)CN(C1CCCC1)C2)N1CCCC1 247754538 YPRUZWDGUNDBQN-MRXNPFEDSA-N 322.449 1.801 0 40 DDAB O=C(/C=C/c1cccs1)N1CCC(N2C(=O)COC2=O)CC1 252490471 KUNJKXCHWQNPDH-ONEGZZNKSA-N 320.370 1.731 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@@H]2c2cncc(C)n2)CC1 257293087 QOAWYWOICMDTSP-MRXNPFEDSA-N 318.421 1.295 0 40 DDAB Cc1ncoc1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257204747 AWDZYOWDZJOGCZ-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB COc1cc(OC)cc(C(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1 257268242 MKURNIMNXWNMMW-BZUAXINKSA-N 323.389 1.704 0 40 DDAB O=C(O)c1ccccc1-n1cnc(CN2CCC(CO)CC2)c1 257313479 USRHOQGTAWLOLQ-UHFFFAOYSA-N 315.373 1.775 0 40 DDAB CN(C(=O)COc1ccccc1Cl)[C@@H]1CCC[C@@H](O)[C@@H]1O 257205302 AYKSFRBPCXXNSW-LALPHHSUSA-N 313.781 1.452 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ncoc3C)CCO2)ncn1 257218254 DCKGYDHXEWATEG-CQSZACIVSA-N 316.361 1.555 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 257260063 LBEJZLJKFQXOLG-ZDUSSCGKSA-N 301.350 1.041 0 40 DDAB Cc1nc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)co1 257291365 QGQCIULMTLGRGN-ZDUSSCGKSA-N 302.334 1.247 0 40 DDAB CCOc1ncccc1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257302917 SEZJWLVTKVMQHM-BBRMVZONSA-N 306.362 1.500 0 40 DDAB O=C(COc1ccccc1F)N1CCOC[C@@H]1c1ccn[nH]1 257318095 VMMKBWSMVYIEGX-CYBMUJFWSA-N 305.309 1.528 0 40 DDAB NC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1c1ccccc1 262205259 KYRGDVUTAZURIL-HZSPNIEDSA-N 309.360 1.185 0 40 DDAB CC(C)CCOC1CCN(C(=O)c2nccnc2C(N)=O)CC1 266860470 USPFQEVCNKSWDD-UHFFFAOYSA-N 320.393 1.243 0 40 DDAB CN([C@H](C(=O)Nc1cccnc1)c1ccccc1)S(C)(=O)=O 260836874 AUAMVLWJBQOFAV-AWEZNQCLSA-N 319.386 1.653 0 40 DDAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3cn(C)cn3)cc21 96025684 GJAJAGAYDYJYBT-UHFFFAOYSA-N 320.374 1.130 0 40 DDAB Cn1cc(S(=O)(=O)N(CCc2cccs2)C2CC2)cn1 96120315 UJHBJZYABMJOHH-UHFFFAOYSA-N 311.432 1.877 0 40 DDAB CCn1nncc1CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 560779521 XBAIYDHKCQZULK-MRXNPFEDSA-N 311.345 1.192 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1 72052245 RUJZXWVBVFYGAZ-CYBMUJFWSA-N 302.378 1.851 0 40 DDAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCCCNC3=O)c2)cs1 40521663 GLHOIOCQEMDLQH-LLVKDONJSA-N 318.402 1.845 0 40 DDAB NS(=O)(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 75788359 QNRNVWGWLPNXSK-UHFFFAOYSA-N 304.318 1.063 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CCOC3)C2)o1 83827822 LNLBJCUKRSRHHZ-GJZGRUSLSA-N 321.421 1.696 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)c1 85975951 UOVRGVMHKJMDDR-WCQYABFASA-N 313.375 1.214 0 40 DDAB CC(C)C[C@@H](CN(C)C)NC(=O)c1n[nH]cc1Br 76962949 KUZCALZQNZMCAK-VIFPVBQESA-N 317.231 1.878 0 40 DDAB COc1ccc(NC(=O)OCCNC(=O)C(=O)OC(C)C)cc1 5633285 ZPTZGSFSQGUWNS-UHFFFAOYSA-N 324.333 1.312 0 40 DDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccccn1 5693091 XECXFNCCKQJIEL-UHFFFAOYSA-N 314.297 1.204 0 40 DDAB O=C1NC(=S)N/C1=C\c1ccc(I)o1 15222579 UFUZEITXFGYPNK-HYXAFXHYSA-N 320.111 1.229 0 40 DDAB Cc1oc2ncn3nc([C@H](C)NC(=O)C(F)F)nc3c2c1C 19559504 BEZSECHCRYBROW-LURJTMIESA-N 309.276 1.930 0 40 DDAB CN(C)[C@H]1CN(C(=O)c2ccc(OC(C)(C)C)cn2)C[C@@H]1O 568651814 KJUKYVRZWXJQBV-KBPBESRZSA-N 307.394 1.006 0 40 DDAB Cc1nsc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n1 1888847503 LXSFTYZOMWJQAV-VXGBXAGGSA-N 314.370 1.472 0 40 DDAB Cc1ccc(N2CC(N(C)S(=O)(=O)C3CCCCC3)C2)nn1 1888850093 LJBHSZOQIBUPBN-UHFFFAOYSA-N 324.450 1.568 0 40 DDAB COc1ccc(NC(=O)c2cccs2)cc1S(N)(=O)=O 6787982 LPZKNBPMZUNECB-UHFFFAOYSA-N 312.372 1.656 0 40 DDAB CS(=O)(=O)NCCCN[C@H]1CCC[C@H](C(F)(F)F)C1 129214626 CUEJPTNVWQEOHS-UWVGGRQHSA-N 302.362 1.636 0 40 DDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccccn1 238938816 VUHVYBIIYCPJMS-UHFFFAOYSA-N 311.301 1.927 0 40 DDAB CC(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840396 LVURJPSYMWDREG-INIZCTEOSA-N 306.337 1.570 0 40 DDAB CN1C[C@]2(COCC1=O)CN(Cc1ccccc1Cl)CCO2 2037983896 KCBOUADHXSEGRT-MRXNPFEDSA-N 324.808 1.400 0 40 DDAB Cc1ncnc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CO3)c1C 1614929986 UMYFQVWRVCWCEV-CQSZACIVSA-N 318.421 1.419 0 40 DDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2710736 OKYZJIQYDLQHOI-RKDXNWHRSA-N 310.350 1.643 0 40 DDAB CCCCCOc1ccc(NC(=O)C(=O)NCCOC)cc1 3669745 BHSUTNIPZJAKTB-UHFFFAOYSA-N 308.378 1.957 0 40 DDAB CC(=O)Nc1ccc(NC(=O)C[C@H](NCC(C)C)C(=O)O)cc1 5257962 XIJQHVKCJGQZBX-AWEZNQCLSA-N 321.377 1.672 0 40 DDAB O=C(NCC1CC1)[C@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055713356 DTCUPVHGIZOCMD-ZDUSSCGKSA-N 316.405 1.208 0 40 DDAB CCC(=O)N1CCC[C@@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751319 KKJUONBWGKOLQH-KRWDZBQOSA-N 303.406 1.958 0 40 DDAB Cc1ccnc(N2CCN(c3ncnc4ncccc34)CC2)n1 2086889349 NAZCCXUBAWQAFI-UHFFFAOYSA-N 307.361 1.450 0 40 DDAB c1nc(N2CCN(C[C@H]3CCCO3)CC2)c2sccc2n1 28619972 JNRPTAGBGGSRIY-GFCCVEGCSA-N 304.419 1.992 0 40 DDAB CC(C)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 40459 DBQYZQFOQFOBHU-UHFFFAOYSA-N 315.171 1.232 0 40 DDAB Cc1nnc(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)s1 40526524 HFKWWMAIEZCVSL-NSHDSACASA-N 313.427 1.325 0 40 DDAB O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCCCNC1=O 40521898 ZXNQITMWTCLEQQ-GFCCVEGCSA-N 304.346 1.133 0 40 DDAB C[C@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)c1ccccn1 40553413 XUJTTWOVRSVCTC-VIFPVBQESA-N 323.349 1.359 0 40 DDAB CCC(CC)C(=O)N1CCC(Nc2ccc3nnnn3n2)CC1 52473011 QEOOOAKSIWYZSG-UHFFFAOYSA-N 317.397 1.358 0 40 DDAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1 41328985 UQERFKCYXWOGND-MRXNPFEDSA-N 321.396 1.243 0 40 DDAB O=C(Cn1nnnc1C1CCCC1)N1CCO[C@@H]2CCCC[C@H]21 52893607 AYBVXIUZTMOCSZ-ZIAGYGMSSA-N 319.409 1.501 0 40 DDAB Cc1nnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)s1 138381 ZAPUBNDVDORPJJ-ZETCQYMHSA-N 316.342 1.470 0 40 DDAB O=S(=O)(NC[C@H]1COc2ccccc2O1)c1cccs1 157856 AXXQLDMMYWLFRY-JTQLQIEISA-N 311.384 1.866 0 40 DDAB COCc1nnc(NC(=O)COc2ccc(OC)cc2)s1 148458 IVPJKEFOMGWBJI-UHFFFAOYSA-N 309.347 1.711 0 40 DDAB Cc1ccc(OC[C@@H](O)Cn2cnc(C)c(C)c2=O)c(C)c1 97238491 CYXDLGZZQJMFAS-HNNXBMFYSA-N 302.374 1.917 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 315728 JPCCKXXLIFFNNI-PKIAMQTDSA-N 315.325 1.554 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(OC)cc4)C(=O)[C@@H]13)O2 488561 QYMZHOGQALMWHM-ZJOBFFGXSA-N 315.325 1.155 0 40 DDAB Cc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)cn1 47556934 KJAOQQPERACSGC-UHFFFAOYSA-N 323.356 1.201 0 40 DDAB COC(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]ncc3c2)C1 104235350 HRLWCNPCADXHMF-JTQLQIEISA-N 302.334 1.980 0 40 DDAB O=C1c2ccccc2[C@@](O)(C(=O)O)[C@@]1(O)CC=C(Cl)Cl 1570272 OOVCCRDLVFBHOI-CHWSQXEVSA-N 317.124 1.595 0 40 DDAB COc1cccc(-c2ccc(CNC(=O)Cn3cnnn3)cc2)c1 78877590 HRYBRASGXPNOIG-UHFFFAOYSA-N 323.356 1.665 0 40 DDAB Cn1ccnc1CN1CCN(C(=O)c2cccc(O)c2)CC1 79015697 LIHIPIOWBALHSB-UHFFFAOYSA-N 300.362 1.084 0 40 DDAB CN(C)CCCNCc1cc2cc3c(cc2[nH]c1=O)OCO3 4132835 MJOBCENXYBCWKL-UHFFFAOYSA-N 303.362 1.298 0 40 DDAB CC(C)CCN1CCN(Cc2nnnn2-c2ccccc2)CC1 47869278 GEEXBPWBAPIFAL-UHFFFAOYSA-N 314.437 1.826 0 40 DDAB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2OC(=S)O[C@@H]12 4990488 WQXKACVWXQXVKD-GHEKHTLGSA-N 324.354 1.541 0 40 DDAB Cc1cc(COC(=O)c2c(C)oc3ncn(C)c(=O)c23)no1 24176064 PRGCRKPSWSURSO-UHFFFAOYSA-N 303.274 1.488 0 40 DDAB C[C@H]1CO[C@H](C)CN1C[C@@H](O)COc1ccc2c(c1)OCO2 106755481 JOCUSPZGYAHETF-YNEHKIRRSA-N 309.362 1.264 0 40 DDAB CC(=O)N[C@@]1(C(=O)N2CCSCC2)CCCc2ccccc21 95348538 STVGHSNGBWXXLO-KRWDZBQOSA-N 318.442 1.930 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(C)cc1)NC(=O)N2 9317274 DSUUOMBQWINTCS-OAHLLOKOSA-N 315.373 1.482 0 40 DDAB Cc1nc(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cs1 107142762 IIGSYGDBNUUFKC-HZMBPMFUSA-N 308.407 1.262 0 40 DDAB Cc1nn(-c2ccccc2)cc1C(=O)N1CCS(=O)CC1 108275962 SQUVEUHKTLZACD-UHFFFAOYSA-N 303.387 1.385 0 40 DDAB O=C(CF)N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 27024959 KRIOODYNBALMTG-HTRCEHHLSA-N 307.580 1.537 0 40 DDAB Cc1noc(NC(=O)CSc2nnc(NC(C)C)s2)n1 58168726 YALOWRPMMKFMRX-UHFFFAOYSA-N 314.396 1.781 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](C(N)=O)C1 58213902 BNPTXOPSXURQSB-UKRRQHHQSA-N 303.406 1.915 0 40 DDAB CC(=O)N(C)C1CCN(CC(=O)NCc2cccs2)CC1 58247531 GNJRJMRDVNUPAK-UHFFFAOYSA-N 309.435 1.307 0 40 DDAB O=C(CSc1ccccc1Cl)NCCN1CCOCC1 27772332 RAFRDAGPHOTFCU-UHFFFAOYSA-N 314.838 1.881 0 40 DDAB O=C1C[C@H](C(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc2N1 44942060 YYSVLANMMUDCEH-NUEKZKHPSA-N 313.401 1.855 0 40 DDAB COc1ccccc1[C@@H]1CC(=O)c2cc(C(=O)O)c(=O)[nH]c2C1 20800703 AHCOIHVEPSXBES-VIFPVBQESA-N 313.309 1.994 0 40 DDAB COc1cccc([C@@H]2C=C(C(=O)O)Nc3nc(SC)nn32)c1 102334243 LCRHQRXCIPXKQP-NSHDSACASA-N 318.358 1.992 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccccc1C 3372426 BRAUGZSTLGIFJY-AWEZNQCLSA-N 320.389 1.429 0 40 DDAB CCC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CCN1C 95395164 HBUVVKZDTONMAD-OAGGEKHMSA-N 310.486 1.890 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccncc1 45666037 NKFYMKRFIIWWST-KGLIPLIRSA-N 302.378 1.597 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(F)cc1 11593971 DBSCOHOSFUCHGO-UHFFFAOYSA-N 314.324 1.644 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc2c(c1)CCCC2 23641403 WHSXZEHUGUJDFM-UHFFFAOYSA-N 324.446 1.176 0 40 DDAB CCOCc1ccc(CNC(=O)N2CC[C@@H](C(N)=O)C2)cc1 46176755 ZURYMJHUMWYWTQ-CQSZACIVSA-N 305.378 1.240 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 46198035 OEOFEFHAAGEEDO-ZFWWWQNUSA-N 317.389 1.905 0 40 DDAB Cc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)n(C)n1 29799189 AMWAWJQKGZJQII-UHFFFAOYSA-N 308.363 1.352 0 40 DDAB CCCc1cc(C(=O)N2CCN(Cc3ccco3)CC2)[nH]n1 46322129 KZTJXWWEGXPVPS-UHFFFAOYSA-N 302.378 1.913 0 40 DDAB Cc1n[nH]c(=O)nc1N1CCN(c2cccc(Cl)c2)CC1 11991521 DLWRUNDFPFIDEA-UHFFFAOYSA-N 305.769 1.453 0 40 DDAB c1ccc(CCn2nnnc2CN2CCN3CCC[C@H]3C2)cc1 20143263 GKZWHTXLTXGQLN-INIZCTEOSA-N 312.421 1.196 0 40 DDAB O=C(NCCCn1ccnc1)C1CCN(c2ncccn2)CC1 8992872 ZJJGVWRSFQHBAZ-UHFFFAOYSA-N 314.393 1.096 0 40 DDAB NS(=O)(=O)c1ccsc1C(=O)N1CCc2ccccc2C1 12926642 CCOMLAKMWICXAS-UHFFFAOYSA-N 322.411 1.594 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 71144684 HIGWAZHVMBGBDM-JTQLQIEISA-N 322.352 1.935 0 40 DDAB Cn1c(=O)n(C[C@H](O)COc2ccc(F)cc2)c2ccccc21 12971466 HJXAFYIXVNELLA-ZDUSSCGKSA-N 316.332 1.919 0 40 DDAB CC(C)n1ncc2cc(NC(=O)CN3CSCC3=O)cnc21 12993644 KTRAGUKUPIZNBF-UHFFFAOYSA-N 319.390 1.484 0 40 DDAB CCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1F 48673749 RQRVRPJSALAQLW-UHFFFAOYSA-N 322.789 1.626 0 40 DDAB COCCCNC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O 4088707 HRIZBKZVWKVADC-UHFFFAOYSA-N 319.357 1.811 0 40 DDAB biogenic CC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Cl)cc1 4158931 YBSWYLSPLJXNLL-VXGBXAGGSA-N 303.767 1.481 0 40 DDAB O=C(NCCN1CCCC1)Nc1ccc(N2CCOCC2)nc1 65440053 HEABJTGBBQMGCF-UHFFFAOYSA-N 319.409 1.136 0 40 DDAB CCCn1nnnc1COC(=O)c1cnn(-c2ccccc2)c1 25124083 VQJUXRSWCAKJNU-UHFFFAOYSA-N 312.333 1.626 0 40 DDAB COC(=O)c1ccc(OCCN2CCCC[C@@H]2C(N)=O)cc1 65542771 MDSBBZMIUSLUJV-CQSZACIVSA-N 306.362 1.192 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)c1cc2ccccc2c(=O)[nH]1 65523785 ZLNCJEHLGMIARC-NSHDSACASA-N 313.357 1.269 0 40 DDAB CCc1cc2c(=O)n(NC(=O)c3cnn(C)c3)cnc2s1 14199176 SWNOYPWXIAOONU-UHFFFAOYSA-N 303.347 1.138 0 40 DDAB Cn1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 14899685 XWJBORFPFSBKCQ-LLVKDONJSA-N 302.359 1.862 0 40 DDAB CCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 113939344 ZZNXNFHVAGXZNF-UHFFFAOYSA-N 306.334 1.257 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N(C)C 15736119 ZRGDICZKJYKLMW-GFCCVEGCSA-N 312.391 1.363 0 40 DDAB COC(=O)C1CCN([C@@H](C)C(=O)Nc2ccccc2OC)CC1 9450130 XBTKTNIXWZJING-LBPRGKRZSA-N 320.389 1.907 0 40 DDAB COc1cccc(S(=O)(=O)CCN[C@@H](C)Cn2cccn2)c1 69349884 OWLGKLSGMZKCDK-ZDUSSCGKSA-N 323.418 1.344 0 40 DDAB CCOCCN1CCN(c2cncc3nccn23)C[C@H]1CC 95458362 YKBMKVKRGLTWRI-CQSZACIVSA-N 303.410 1.666 0 40 DDAB O=C(NCCCNS(=O)(=O)c1ccccc1)c1cccs1 8402709 VJMLCJJNKBMGIN-UHFFFAOYSA-N 324.427 1.847 0 40 DDAB Cc1cccc(C2(C(=O)NC[C@@H](C)N3CCN(C)CC3)CC2)c1 69777143 ZRFAMXPJKOUNJS-MRXNPFEDSA-N 315.461 1.779 0 40 DDAB C[C@@H]1CN(C(=O)Cc2cnn(-c3ccccc3)n2)[C@H](C)CO1 71852371 PSMVZVZVYQRDOV-CHWSQXEVSA-N 300.362 1.446 0 40 DDAB Cc1ccc2ncc(C(=O)N3CCO[C@H]4CCC[C@H]43)c(=O)n2c1 71823511 WAYAHLIKOVSWPA-KGLIPLIRSA-N 313.357 1.396 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(CC2CC2)C1 71802762 LKVFRAKZHWRDHD-LBPRGKRZSA-N 308.378 1.149 0 40 DDAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CC2)cn1 71883102 DVPIRTSWHSEMHU-UHFFFAOYSA-N 305.359 1.624 0 40 DDAB CCCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8747368 PLBFGWXQFCEWBC-UHFFFAOYSA-N 305.421 1.706 0 40 DDAB NC(=O)[C@H]1COCCN1c1nc(C(F)F)nc2ccccc12 97049858 FDKHHHLDLXXVCL-SNVBAGLBSA-N 308.288 1.258 0 40 DDAB Cn1c(=O)c(CN2CCOCC2(C)C)nc2cc(F)ccc21 97201066 RMQOZGWXXZGRGH-UHFFFAOYSA-N 305.353 1.683 0 40 DDAB Cc1cccc2nc(CN(C)CCCn3ccnc3)cc(=O)n12 95984101 MVYLTFRBTKYSDH-UHFFFAOYSA-N 311.389 1.722 0 40 DDAB CCc1ccc(OCC(=O)Nc2ccn(CC(=O)O)n2)cc1 89286351 PDQXFWFKPCZJAO-UHFFFAOYSA-N 303.318 1.548 0 40 DDAB COCCN1CCC(CNC(=O)c2cccc3cn[nH]c23)CC1 89414450 DBFKLNAEIVZMNG-UHFFFAOYSA-N 316.405 1.651 0 40 DDAB COc1ccsc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76052581 AVLLSFWJOJVKPJ-NEPJUHHUSA-N 310.419 1.549 0 40 DDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1 170613516 HHYGYMQXGYDRPP-DMRZNYOFSA-N 309.373 1.591 0 40 DDAB COc1cc(C(=O)N2CCc3occc3[C@H]2C(=O)O)ccn1 1550379006 QOSNCJKTNOTXGS-ZDUSSCGKSA-N 302.286 1.507 0 40 DDAB Cc1nn(C(C)C)c(C)c1CC(=O)NS(=O)(=O)C(C)C 408486250 JCTIPTALSQTSFF-UHFFFAOYSA-N 301.412 1.478 0 40 DDAB C[C@@H]1CN(C(=O)c2ncn3cc(Cl)ccc23)C[C@H]1NCCO 1054657632 SEAWHKVUERYUNH-ZYHUDNBSSA-N 322.796 1.030 0 40 DDAB COCC(=O)N1CCCc2ccc(NC(=O)c3ccno3)cc21 38699589 XMWZUPSOUIWSKF-UHFFFAOYSA-N 315.329 1.853 0 40 DDAB CCc1nsc(N2CCN(CCc3ccncc3)CC2)n1 76063079 FPSYFPPSQNDXBA-UHFFFAOYSA-N 303.435 1.860 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)c1c(F)cccc1F 71949442 PQYRZEGHXXDMDI-RYUDHWBXSA-N 310.300 1.815 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)CCC[C@H]1C 73972576 JKDFTIQNMVDZBP-CHWSQXEVSA-N 304.456 1.695 0 40 DDAB Cn1cc(C(=O)NCCNC(=O)c2ccccn2)c2ccccc21 32123888 XRSOGWWUZXAZRK-UHFFFAOYSA-N 322.368 1.733 0 40 DDAB biogenic CCOC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 72404403 ZHJQONFTAQCJTJ-UHFFFAOYSA-N 310.313 1.922 0 40 DDAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1CN 72223649 JNKMNVBNUIZPRD-UHFFFAOYSA-N 306.410 1.906 0 40 DDAB COC(=O)[C@H]1CCCN1CCc1nc(-c2ccccc2)no1 77250557 ZTYVPJJZVYEGDL-CYBMUJFWSA-N 301.346 1.917 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cccnc3)n2)C1 72365169 MFICINKPLYEBDM-ZDUSSCGKSA-N 318.402 1.678 0 40 DDAB COCCN1[C@H](C)CN(C(=O)Cc2ccccc2OC)C[C@H]1C 74557313 WOSYEWCIEQYMPQ-HUUCEWRRSA-N 320.433 1.805 0 40 DDAB CC1(C)Oc2cc(S(=O)(=O)N3CCCC3)ccc2NC1=O 46088716 IEJDRTADCLOEMI-UHFFFAOYSA-N 310.375 1.581 0 40 DDAB CCO[C@H]1C[C@](O)(CNC(=O)c2cc(C)ccc2O)C1(C)C 191705379 SWTZYBOFIMCPFC-YOEHRIQHSA-N 307.390 1.997 0 40 DDAB C[C@H](C[S@](C)=O)NC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 574354812 BKKVJKSNIUZWFG-ZBRWKYKSSA-N 314.451 1.136 0 40 DDAB Cc1cc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@@H]3Cn2cccn2)[nH]n1 96250266 XGVSIODDRHQSNI-SNPRPXQTSA-N 315.377 1.234 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1csc(C)n1 96064671 NSTBOKFRRAZRTR-ZIAGYGMSSA-N 309.435 1.663 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184443 LPTCUMUCFIJVPH-JKSUJKDBSA-N 317.433 1.741 0 40 DDAB CNC(=O)CN1CC[C@H]2CN(C(=O)c3cccc(C)c3)C[C@H]2C1 96246122 IUEIBHUXIZGBRG-JKSUJKDBSA-N 315.417 1.135 0 40 DDAB Cc1cn2nc(N3CCc4ncnc(N(C)C)c4C3)sc2n1 97201986 OHYSHSXAJYUZLW-UHFFFAOYSA-N 315.406 1.518 0 40 DDAB Cc1cc(O)c([C@H](CC(=O)O)c2ccnn2C(C)C)c(=O)[nH]1 95479264 MDOUIPMLZXCGKN-SNVBAGLBSA-N 305.334 1.773 0 40 DDAB CCn1nnc2c1[C@@H](COC)CN(C(=O)Cc1cccs1)C2 96045516 NPTAUIYVUGIGAJ-LLVKDONJSA-N 320.418 1.674 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@@H]1c1ccc(F)cc1 96181801 LFKKQMHYFQBCHA-UONOGXRCSA-N 319.292 1.351 0 40 DDAB O=C(Cc1cccc(I)c1)N1CC(O)C1 95422152 UJDLDKRAOBOHPO-UHFFFAOYSA-N 317.126 1.037 0 40 DDAB CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 96226359 GTWCODFTFPIZFW-QGZVFWFLSA-N 318.421 1.871 0 40 DDAB NC1CCN(c2nccn(Cc3ccccc3F)c2=O)CC1 96530573 DEYJPZKZOCIKMG-UHFFFAOYSA-N 302.353 1.358 0 40 DDAB COCCN1CCN(Cc2cnn(C)c2)Cc2cccnc21 96198847 IJJUJGKZZVPPHM-UHFFFAOYSA-N 301.394 1.284 0 40 DDAB CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 96108691 FXFPVMXGBKQHCQ-ZBFHGGJFSA-N 324.446 1.301 0 40 DDAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1nnc([C@@H]2CCCO2)s1 96117054 KZYREMSUOSJIOU-YUMQZZPRSA-N 311.363 1.670 0 40 DDAB Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@H](C)CO2)c1 96426742 JIEHDYDSFPJHRP-BMFZPTHFSA-N 316.401 1.870 0 40 DDAB Cc1nnnn1-c1ccc(C(=O)Nc2nc(C3CC3)n[nH]2)cc1 95476884 KMNRRIUFSOFMKK-UHFFFAOYSA-N 310.321 1.219 0 40 DDAB Cn1ncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1Cl 96181075 BWZHXXOLXFJGDH-UHFFFAOYSA-N 322.752 1.265 0 40 DDAB CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H]1CCC(=O)NC1 96428059 ZWEOILARXRYVGF-LLVKDONJSA-N 310.419 1.541 0 40 DDAB O=C(NCc1ccccc1)N1CC[C@@H](O)[C@@H]1Cc1cccnc1 96200125 POYZMHGRROEZST-DLBZAZTESA-N 311.385 1.969 0 40 DDAB Cc1cccc(C[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 257306829 SWCXZQYRBWLIBS-OAHLLOKOSA-N 323.462 1.985 0 40 DDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4cnccn4)C3)cn2c1 257272936 NELHCKVFTWHPDK-OAHLLOKOSA-N 323.356 1.646 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)s1 257232495 GLCCPQLRATZZFH-UMVBOHGHSA-N 324.446 1.401 0 40 DDAB Cc1onc(C(C)C)c1C(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257246772 IVUDYZSBZKRFNL-LRDDRELGSA-N 308.378 1.862 0 40 DDAB O=C(N[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1O)c1ccccn1 257320673 VXYLWJACBZYZAF-HZPDHXFCSA-N 315.348 1.196 0 40 DDAB O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1CC1CC1 257273607 NHKBFZWMRVFDEF-KRWDZBQOSA-N 300.406 1.800 0 40 DDAB Cn1nc(C2CN(C(=O)Cc3ccccc3)C2)c2nccnc21 257213172 CGLMIPQSTFVQEY-UHFFFAOYSA-N 307.357 1.532 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2cnccn2)CC1 257227449 FPIUFOMAGKOPBB-HNNXBMFYSA-N 302.378 1.194 0 40 DDAB CO[C@H]1CCOC2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 575404791 PNJBDDRDAOJIGL-DZGCQCFKSA-N 303.358 1.397 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2cc(C)on2)Cc2cccn2C1 585099117 NFIQXDPYQZKUHP-CYBMUJFWSA-N 302.378 1.553 0 40 DDAB COC[C@H]1CCn2nccc2CN1C(=O)CC1CCOCC1 585097629 OGPAVUCCGSKZOM-OAHLLOKOSA-N 307.394 1.447 0 40 DDAB CNC(=O)C[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585111482 BGVFXLOLYQLHAB-OAHLLOKOSA-N 302.353 1.715 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2cccnc2)CC1 44448800 NXWRVWVKWSBMJZ-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB O=C(NC1CCOCC1)N1CC(n2cnc3ccccc32)C1 1776009396 YTWDBTHJMBPRMY-UHFFFAOYSA-N 300.362 1.782 0 40 DDAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCNCC1 19668834 OQPYSNZXULFJOJ-NSHDSACASA-N 305.205 1.638 0 40 DDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)c3ccccc3F)CCO2)n1 84271523 RLHFAABGWUTXLB-UONOGXRCSA-N 306.341 1.359 0 40 DDAB CNC(=O)[C@@H](NC(=O)/C=C(\C)c1ccccc1OC)C(C)C 98059566 KEZAPVCSQXBENQ-TYZQSYOASA-N 304.390 1.985 0 40 DDAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCNC(=O)CC1 98007500 KOGKPEBTCAINMO-GFCCVEGCSA-N 310.781 1.846 0 40 DDAB COc1ncc(Cl)c(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 95970972 PGBVWWOWQOLNGP-IUCAKERBSA-N 319.814 1.906 0 40 DDAB CCn1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)cn1 12115834 LCVHABKLINTDNM-UHFFFAOYSA-N 311.349 1.056 0 40 DDAB O=C(O)c1ccc2c(=O)n(Cc3cccnc3)c(S)nc2c1 15424412 CEHHYWJNGJEXHL-UHFFFAOYSA-N 313.338 1.827 0 40 DDAB CCC(CC)C(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19500100 ZEWOWDGIFXQRJY-ZDUSSCGKSA-N 302.422 1.874 0 40 DDAB Cn1c(SCC(=O)N2CCCC2)nc2c(c1=O)SCC2 9560201 LJARZEXGNPQEJD-UHFFFAOYSA-N 311.432 1.143 0 40 DDAB Cn1nccc1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 585149450 SUQLTJVRCVTHPC-LLVKDONJSA-N 315.377 1.775 0 40 DDAB Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 3606106 KHBQSMGUDQODEH-SNVBAGLBSA-N 317.794 1.331 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(N2CCCC2=O)cc1 24804150 OEQIHTRXAHFJKG-ZDUSSCGKSA-N 312.373 1.828 0 40 DDAB CS(=O)(=O)N1CCC(NCc2c(F)cccc2Cl)CC1 30656176 MAWLTEXEEWEKSB-UHFFFAOYSA-N 320.817 1.993 0 40 DDAB COc1nc(OC)nc(N2CCC(NC(=O)C(C)(C)C)CC2)n1 2087122245 DHDOEGCQHCURSL-UHFFFAOYSA-N 323.397 1.020 0 40 DDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cc[nH]c2)C1)N1CCCC1 1565544887 UJZOVXQXPYLKRB-RBSFLKMASA-N 317.389 1.257 0 40 DDAB O=C(NC1CCC1)[C@@H]1CO[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2C1 1565549622 WLOJDCQQTIBYAJ-SGMGOOAPSA-N 324.396 1.411 0 40 DDAB COc1cnccc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2 1565547439 RLIIUTWDIUFVSI-UHFFFAOYSA-N 303.362 1.175 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc2nc(O)[nH]c2c1 585149806 OFXPZRXRQVEZCX-BXKDBHETSA-N 316.361 1.615 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC(Oc3nccs3)C2)cc1 208030305 ZXWAHSRQCYDQJQ-UHFFFAOYSA-N 318.354 1.833 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCOC2)cc1 96430680 OXKOPJRYGRAIGM-HOTGVXAUSA-N 316.401 1.639 0 40 DDAB CSCC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)O 20000705 CNQYLPKESHVNPV-JOYOIKCWSA-N 311.359 1.149 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 30343196 FDDNQTJIBBSORC-BONVTDFDSA-N 307.350 1.207 0 40 DDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]1CCCO1 30870415 NNYPBKKBWYPBGL-FZMZJTMJSA-N 311.403 1.789 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1c1ccc(F)cc1 40488749 JGPAITQCFCEDKE-AWEZNQCLSA-N 314.382 1.540 0 40 DDAB CC(=O)OCCc1c(C)[nH]c2nc(-c3ccccc3)nn2c1=O 100650727 BFRHMQZEDRNNKO-UHFFFAOYSA-N 312.329 1.499 0 40 DDAB COC[C@H](C)N(C)C(=O)CCn1cnc2c(C)cccc2c1=O 40553968 WHOVEFROQIOUSF-ZDUSSCGKSA-N 317.389 1.588 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 52052985 JRVFKBTVMQQMKY-UHFFFAOYSA-N 322.430 1.283 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)NC(C)C)cc1 52714444 PIXIGSIVMUGUIL-HNNXBMFYSA-N 319.405 1.623 0 40 DDAB Cc1ccc(S(=O)(=O)Nn2nnc3ccccc3c2=O)cc1 482104 PDQKVWGIDGCESA-UHFFFAOYSA-N 316.342 1.032 0 40 DDAB C[C@H](NC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCCO1 41375753 HOGVVPVCTIEOCO-AAEUAGOBSA-N 322.361 1.661 0 40 DDAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCNC3=O)c2c1 77320 VUOSKYDVWYHMGW-ZDUSSCGKSA-N 315.373 1.361 0 40 DDAB aggregator,biogenic COCCCN1CC2=C(C1=O)[C@@H](c1cccs1)NC(=O)N2 12346736 TWVOLSGTYJDFDC-GFCCVEGCSA-N 307.375 1.235 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](C)n3cccn3)C2)n1 72235423 XRQQETLCZUDJGG-RISCZKNCSA-N 302.382 1.516 0 40 DDAB O=C(OCCOc1ccccc1)c1ccccc1-n1cnnn1 22859563 AZKJAHHDSOICJJ-UHFFFAOYSA-N 310.313 1.898 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccncc3)ccc21 12543151 JQPLDHMREXJBNG-UHFFFAOYSA-N 310.313 1.357 0 40 DDAB CCN(CC)S(=O)(=O)NCCOc1ccc(Cl)cc1 23400739 HFCJJRUYNFTEHI-UHFFFAOYSA-N 306.815 1.895 0 40 DDAB Cn1cc(CCNC(=O)NCc2ccc3c(c2)OCCO3)cn1 43162869 FGGZAXCQNNHTSY-UHFFFAOYSA-N 316.361 1.233 0 40 DDAB Cc1cc(C)cc(CSCC(=O)N2CCN(C=O)CC2)c1 10282769 QCUPCUTVJFFJDC-UHFFFAOYSA-N 306.431 1.837 0 40 DDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCC[C@H](C(=O)N(C)C)C1 106652294 XHIDKPFIQIXXMU-DZGCQCFKSA-N 322.380 1.840 0 40 DDAB COc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cn1 8513906 XLDMNIBIISKEBM-UHFFFAOYSA-N 317.326 1.517 0 40 DDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@@H]3CCCC[C@H]31)C2 106667129 CMRVDZRLYKUCSZ-LSDHHAIUSA-N 317.437 1.583 0 40 DDAB O=C(NCCNc1ncccn1)NCc1cn2ccccc2n1 43477214 SAJUIJJQVXOCTF-UHFFFAOYSA-N 311.349 1.036 0 40 DDAB Cc1nn(CCC(=O)NCCN2CCCC2)c2ccccc12 57279972 AVJMNLIWOCGUDU-UHFFFAOYSA-N 300.406 1.947 0 40 DDAB C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(C(=O)O)c1 35252754 CSQKRABQZRDKGN-SNVBAGLBSA-N 309.343 1.887 0 40 DDAB CC(C)(NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)C(N)=O 57256200 HIXHDSHQZUYCHC-SECBINFHSA-N 323.780 1.073 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108361391 UBFKCLVUJQDDLB-WDBKCZKBSA-N 306.410 1.664 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1 58158376 HZIRSIZBDUURSM-UHFFFAOYSA-N 320.374 1.448 0 40 DDAB O=C(NC1CCN(Cc2ccccn2)CC1)N1CCSCC1 44968481 METQZFGVSIVEKC-UHFFFAOYSA-N 320.462 1.804 0 40 DDAB c1coc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)c1 44945204 KYUJIRAVMAQWHT-UHFFFAOYSA-N 310.361 1.578 0 40 DDAB COc1cc(CN[C@@H](C)CN2CCCC2=O)cc2c1OCO2 44973860 QPGQTCFVLASAQR-NSHDSACASA-N 306.362 1.524 0 40 DDAB Cc1nc2ccccc2n1CC(=O)N(C)CC(=O)N1CCCC1 58393069 MSYDGJUQICLVNX-UHFFFAOYSA-N 314.389 1.426 0 40 DDAB Cc1ccnn1-c1cccc(NS(=O)(=O)c2cnn(C)c2)c1 58341963 OITOZNBVUXKIRA-UHFFFAOYSA-N 317.374 1.715 0 40 DDAB COCCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1 2231072 VAVJSMMQBBSETL-UHFFFAOYSA-N 319.361 1.831 0 40 DDAB O=C(O)CN1C(=O)S[C@@H](Nc2ccc(Cl)cc2)C1=O 2325741 UBFLNEIKRUVVTP-SECBINFHSA-N 300.723 1.858 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cc(Cl)cn3C)CC2)no1 112295315 YSHZUYKPEJZLFW-UHFFFAOYSA-N 323.784 1.328 0 40 DDAB C[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 48324352 HRBXVISBVLCDRW-MFKMUULPSA-N 314.382 1.715 0 40 DDAB COCCN(C)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 67317801 OVSWYHBHPODIPK-UHFFFAOYSA-N 322.333 1.793 0 40 DDAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1ccc(Cl)cc1Cl 36907020 HXBKCNXDYVNFRI-QOSJWCAFSA-N 303.189 1.893 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)on2)c1C 2663251 MRNFFGFXNLLTTN-UHFFFAOYSA-N 319.317 1.926 0 40 DDAB COc1ccc(CNC(=O)COC(=O)[C@@H]2CCCO2)cc1OC 2726024 FXRSKDDZZPCEEU-ZDUSSCGKSA-N 323.345 1.042 0 40 DDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CCCO1 12979313 KRTAYBGNQCMFCD-LBPRGKRZSA-N 312.316 1.931 0 40 DDAB CCN1C(=O)[C@](CN2CCCCC2)(NC(C)=O)c2ccccc21 13687795 WPMGLXFUIJFLIH-GOSISDBHSA-N 315.417 1.870 0 40 DDAB NC(=O)C1CCN(C(=O)CCn2ccc3ccc(F)cc32)CC1 13691979 CKXCYZUSXDXXJQ-UHFFFAOYSA-N 317.364 1.894 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2C)c1 14140156 OUYPBASEADJKAN-UHFFFAOYSA-N 300.314 1.582 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC1CCC(O)CC1 14121481 WSERXHFWXGVENP-UHFFFAOYSA-N 316.401 1.776 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C 4505399 ZUUAVNHGRUUFQH-LBPRGKRZSA-N 317.432 1.111 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(C)c(C)c2)C1 20572648 YVXAHDGTOUGQHI-UHFFFAOYSA-N 314.389 1.738 0 40 DDAB Cn1cc(N2CC[C@H](N[C@@H]3CC(C)(C)OC3(C)C)C2=O)cn1 90017572 NCHBPQZEKUAUSR-QWHCGFSZSA-N 306.410 1.461 0 40 DDAB CS(=O)(=O)c1ccc(-c2nc(Cn3cccn3)co2)cc1 90192012 WKCPBSLQUCOAPH-UHFFFAOYSA-N 303.343 1.990 0 40 DDAB NC(=O)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 15548645 RVZOUFJXQXQRDJ-ZDUSSCGKSA-N 321.427 1.952 0 40 DDAB Cc1cc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)no1 9478910 JIIAJSKUNRUMGV-LBPRGKRZSA-N 317.345 1.693 0 40 DDAB CCN(Cc1cnn(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1 68268309 CSYQYSYUPRAYFV-UHFFFAOYSA-N 313.365 1.137 0 40 DDAB CCCNC(=O)COC(=O)CCn1c(=O)oc2ccccc21 9548700 GIOCSRDZJJFQKH-UHFFFAOYSA-N 306.318 1.054 0 40 DDAB CN(C[C@H]1OCCc2ccccc21)C(=O)[C@H]1CCC(=O)NC1 69348990 HRFXFDBVFWTJRV-DZGCQCFKSA-N 302.374 1.285 0 40 DDAB CC1CCN(C[C@H](O)Cn2cnc3cc(F)ccc3c2=O)CC1 71825036 HJLXMYATJGTXNY-AWEZNQCLSA-N 319.380 1.628 0 40 DDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCS(=O)(=O)CC1 71803986 DAWMDDUFDWXASA-CYBMUJFWSA-N 324.402 1.177 0 40 DDAB O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1cn[nH]n1 71888359 DZGNZKTUERXSKE-UHFFFAOYSA-N 323.312 1.890 0 40 DDAB CCc1nnc2n1CCN(Cc1csc(NC(C)=O)n1)C2 69598315 YUHMQEHBPFCCEP-UHFFFAOYSA-N 306.395 1.271 0 40 DDAB CCc1nnc2n1C[C@H](CNCc1cccc3c1OCO3)CC2 69590025 GLBHMFJYSUQEJR-LBPRGKRZSA-N 314.389 1.921 0 40 DDAB O=C(CCc1cccnc1)NCC[S@](=O)c1ccccc1 71896453 PXIGJXNVRALJGU-OAQYLSRUSA-N 302.399 1.938 0 40 DDAB CCc1nc(CC(=O)N2CCn3c(CC)nnc3C2)cs1 69664937 BVHQROKESGXURA-UHFFFAOYSA-N 305.407 1.444 0 40 DDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1cccc(F)c1 69709671 WBIJIXABGUIVHC-UHFFFAOYSA-N 318.352 1.607 0 40 DDAB Cn1cnc2c1CCN(C[C@@H](O)c1ccc3c(c1)OCCO3)C2 71877068 PJFSUTSQZLTEGP-OAHLLOKOSA-N 315.373 1.283 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccnc1 18098970 WYBBPYFFXDCPEA-UHFFFAOYSA-N 308.341 1.980 0 40 DDAB CC(C)c1nnc2n1CCN(CCC(=O)N1CCCCC1)C2 69894928 GDKBHKRSEDTOKF-UHFFFAOYSA-N 305.426 1.620 0 40 DDAB COc1c(C)cnc(CN[C@@H]2CCc3nc(C)nn3C2)c1C 69969596 KLLQIWAYPWJVFU-CYBMUJFWSA-N 301.394 1.712 0 40 DDAB Cc1nc2cc(N(C)C(=O)CCN3C(=O)CCC3=O)ccc2[nH]1 83996270 XEPJFBHYXHCTEE-UHFFFAOYSA-N 314.345 1.373 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)N[C@@H](C)CC(=O)O)CC2=O)c1C 95970390 BJLOAAABTKRGNR-WCQYABFASA-N 318.373 1.636 0 40 DDAB CC(C)N1CCC[C@@H](N2CCN(Cc3cccnc3)CC2)C1=O 95975879 RHTUQBNMFKBSSF-QGZVFWFLSA-N 316.449 1.599 0 40 DDAB Cc1ccc(C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c(=O)[nH]1 75122060 VLBQNABPPDUJGO-ZIAGYGMSSA-N 320.389 1.484 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c(=O)[nH]1 75118449 FILQBBVOZGLCBM-UHFFFAOYSA-N 312.373 1.609 0 40 DDAB O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCN(C2CC2)CC1 75124646 VYWGSPJUOVJPOL-UHFFFAOYSA-N 323.396 1.962 0 40 DDAB CC1(C)CN(C(=O)c2cccc3cc[nH]c23)CCS1(=O)=O 89919583 VRDVSXRUBLWZGE-UHFFFAOYSA-N 306.387 1.817 0 40 DDAB C[C@H](Nc1ncnc2c1cnn2C)c1ccc2c(c1)NC(=O)CO2 25570369 BMCWPKFITVHOEA-VIFPVBQESA-N 324.344 1.867 0 40 DDAB CCc1[nH]c(C(=O)N2CCC[C@H]2CN(C)C)c(C)c1C(=O)OC 75582550 AWALUOASXJAVJA-LBPRGKRZSA-N 321.421 1.838 0 40 DDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)COC 75612727 UYWWCPIMQVCWBD-GFCCVEGCSA-N 307.394 1.940 0 40 DDAB C[C@H]1C[C@@]2(CC[C@@H](Cn3nnnc3N3CCC[C@@H](C)C3)O2)CO1 1551367853 BIFHIEYEASEUNA-HOSILWTGSA-N 321.425 1.636 0 40 DDAB O=C(N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21)c1n[nH]cc1C(F)(F)F 1551452522 FMHJFPRUPVGWGG-VOQBNFLRSA-N 317.267 1.658 0 40 DDAB CCC1(C)CN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1551549359 GJXZQMFHDZQUFG-CHWSQXEVSA-N 305.344 1.970 0 40 DDAB CCC[C@H](C)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 42778045 AUGSSHMELBWCMQ-ZDUSSCGKSA-N 324.446 1.931 0 40 DDAB NC(=O)n1nc(Cc2ccccc2C(=O)O)c2ccccc2c1=O 3845493 CYCHVJICYFXADU-UHFFFAOYSA-N 323.308 1.612 0 40 DDAB biogenic CCn1nncc1CNC(=O)Nc1cnc(C)nc1C1CC1 529092625 BGUUJBIEEARALW-UHFFFAOYSA-N 301.354 1.596 0 40 DDAB Cc1nc2n(n1)CCN(C(=O)c1ccc(Cn3cccn3)cc1)C2 531355258 YFXBGAIGVGJLPL-UHFFFAOYSA-N 322.372 1.487 0 40 DDAB CC(=O)NCc1cncc([C@@H]2CCCN2C2CCOCC2)n1 72355768 UPAYYXVMHUIOOI-INIZCTEOSA-N 304.394 1.429 0 40 DDAB CCOc1cc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)ncn1 128838644 AZRYLWILPCVLMK-ZDUSSCGKSA-N 315.377 1.851 0 40 DDAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CN)n1 72360895 LOOHIZJGLJHRCW-NSHDSACASA-N 318.406 1.607 0 40 DDAB O=C(Nc1nnc(COc2ccccc2)o1)C1=COCCO1 61974002 VEEHPHHTHMZNAD-UHFFFAOYSA-N 303.274 1.475 0 40 DDAB COc1cccc(N2CCN([C@@H](C)c3nnnn3C)CC2)c1 188597886 DVWZAXXXIVVSTB-LBPRGKRZSA-N 302.382 1.102 0 40 DDAB Cc1ccc(C[C@H](NC(=O)Cn2cnnn2)c2ccccn2)cc1 79360540 LFWRSAMNZWITTC-INIZCTEOSA-N 322.372 1.477 0 40 DDAB Cc1nc(NC[C@H]2CC[C@H](C(N)=O)O2)c2c(C)csc2n1 195567129 XLDVPUDOKJURTQ-NXEZZACHSA-N 306.391 1.753 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccc(F)cc1 85475687 JWVSQGXGUPFBGZ-ZFWWWQNUSA-N 316.336 1.717 0 40 DDAB CCC(CC)(CN)NS(=O)(=O)c1ccc(OC)cc1C 195544525 FWBHNVBIGTVZTL-UHFFFAOYSA-N 300.424 1.799 0 40 DDAB COCC(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccncc1 96058008 FAYMJIOGSVILLG-SQWLQELKSA-N 306.362 1.003 0 40 DDAB COc1ccccc1[C@H](O)Cn1cnc(C(=O)OC(C)C)n1 98210955 QKGOBKBSMUPERY-GFCCVEGCSA-N 305.334 1.586 0 40 DDAB CC(C)COc1cccc(CNC(=O)NCC[S@@](C)=O)c1 96408787 SJRDWCQVGKHTQL-NRFANRHFSA-N 312.435 1.899 0 40 DDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@@H]2O1 96043259 OYPNWLWCRRYKHU-IMJJTQAJSA-N 304.390 1.785 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1cc(C)cc(C)c1 96081195 DJRPVBMIKUIATA-CVEARBPZSA-N 316.401 1.765 0 40 DDAB C[C@@H](C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1cccnc1 97100956 UGYKGCPWHQWZHI-GFCCVEGCSA-N 312.435 1.857 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2C2CCOCC2)N1Cc1cccnc1 96186357 VUWAKOYXAJHRLP-IRXDYDNUSA-N 315.417 1.826 0 40 DDAB O=C(C1CCOCC1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 96053844 PXHDCEUJBTWEBH-HOTGVXAUSA-N 315.417 1.398 0 40 DDAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1 96181475 QIINWIFLQMBCSC-CVEARBPZSA-N 304.390 1.810 0 40 DDAB O=C(CC1CCCC1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246506 NVVOWUOJXMESTH-ZACQAIPSSA-N 322.449 1.657 0 40 DDAB O=c1/c(=C/Nc2cccc(Br)c2)sc2ncnn12 256055413 GHYIKGNPFHAMDO-UITAMQMPSA-N 323.175 1.483 0 40 DDAB Cc1cc(O)nc(N2CCC(NC(=O)c3cccn3C)CC2)n1 253537307 LPHIQTQNLZAIMF-UHFFFAOYSA-N 315.377 1.228 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2)no1 257252696 JVTOVWQSAPXJSU-XNRPHZJLSA-N 316.357 1.736 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccccc2N)C1 255999854 RPSOEEVYCCKIDJ-IUODEOHRSA-N 320.437 1.868 0 40 DDAB COCCN1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 257306000 SSMJPHYDWGJJMC-GFCCVEGCSA-N 306.366 1.259 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1c[nH]cn1 257206643 BEJDLJRJLMVNBR-LLVKDONJSA-N 309.395 1.264 0 40 DDAB Cn1c2c(c(=O)c3ccccc31)CN(C(=O)C(F)(F)F)CC2 85345715 GBKQVAAPYKYDLJ-UHFFFAOYSA-N 310.275 1.986 0 40 DDAB COCc1ccc(C(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)cc1 257296157 RBMBZNCJROKITE-BZUAXINKSA-N 307.390 1.881 0 40 DDAB O=C(c1cccc(Cl)c1)[C@H](Cn1cncn1)n1cncn1 255188024 IIODLQZWAGKZAH-LBPRGKRZSA-N 302.725 1.647 0 40 DDAB CCS(=O)(=O)NCc1cn(-c2ccccc2C(=O)O)cn1 257225644 FHDSKHZFXYNQJL-UHFFFAOYSA-N 309.347 1.010 0 40 DDAB CCc1ccccc1NC(=O)CN1CC[C@@]2(CCCO2)[C@@H](O)C1 257202353 ALJVCJAHKWSDER-WMZOPIPTSA-N 318.417 1.803 0 40 DDAB NC(=O)CN1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 257271374 MYAIMMGZGOZNEP-CYBMUJFWSA-N 312.377 1.280 0 40 DDAB COc1ncc(NC(=O)Nc2ccc3c(c2)OCO3)c(OC)n1 96098718 OYIKXIPNSSAYBF-UHFFFAOYSA-N 318.289 1.867 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1ccncc1)C2 585110763 CFKRMCAMWBFKEE-AWEZNQCLSA-N 311.389 1.147 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCc1ccccc1 585288100 POASRMMAVPXHMI-INMHGKMJSA-N 307.390 1.506 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)/C=C/c1ccccc1 585275783 AGQMVRDOUCZGMN-QZEKMECESA-N 316.401 1.844 0 40 DDAB Cc1cnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 69625473 WBYBAKBZQADBBR-GOSISDBHSA-N 312.417 1.636 0 40 DDAB Cc1cc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)no1 69322974 PWIMELYACCGZMU-ZYHUDNBSSA-N 308.382 1.572 0 40 DDAB NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1F 95963908 YYGDFYFPVPUOMR-KOLCDFICSA-N 300.355 1.148 0 40 DDAB Cc1noc(C)c1C(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166864 JYNCPTFLHTUXOR-UHFFFAOYSA-N 305.334 1.060 0 40 DDAB Cc1nn(CC(=O)NC(C)C)c(=O)c2cc3ccsc3n12 12114231 YTYLKXYIKYVILN-UHFFFAOYSA-N 304.375 1.544 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1F 14140056 CVQONXKFDMXYGV-UHFFFAOYSA-N 322.361 1.712 0 40 DDAB COc1ccc2c(c1)C[C@H](C(=O)NCCc1cnccn1)CO2 19562442 PKDWYWKSSWLSEB-ZDUSSCGKSA-N 313.357 1.395 0 40 DDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)C3CCOCC3)C2)n1 390827440 HCHWIVRJPIAXNM-AWEZNQCLSA-N 305.378 1.500 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3cncs3)n2)C1 1848352534 CPYRDGIVAYMQNS-JTQLQIEISA-N 324.431 1.424 0 40 DDAB O=C1CN(C2CN(c3nc4ccc(Cl)cc4o3)C2)CCN1 1889098679 OHQIYRVZBHBOAQ-UHFFFAOYSA-N 306.753 1.102 0 40 DDAB Cc1cc(N2CCO[C@H](C(=O)N3CCCC3)C2)nc(C2CC2)n1 1889099245 ZRQPANQAMDWZCN-AWEZNQCLSA-N 316.405 1.490 0 40 DDAB COCC[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C 178737896 KEVCONOBDTUSSH-ZDUSSCGKSA-N 305.371 1.200 0 40 DDAB CC1(C)C[C@H]1C(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056223684 AKVRFWQEULVKEZ-JYJNAYRXSA-N 315.417 1.539 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(Cc2cncs2)C1)C1CC1 2086967246 HYXJBRNRSVUWIA-SNVBAGLBSA-N 301.437 1.189 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3O[C@H](C(=O)NC4CCC4)CC[C@H]32)C1 1565550689 DJNQJDDKIMILFL-IYKNYXLFSA-N 320.433 1.850 0 40 DDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 1565550984 KUWVTPDFCKUXOH-AWEZNQCLSA-N 319.405 1.551 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CN1c1ccccc1 1565544974 VDPQTVDBTLBJJE-JSGCOSHPSA-N 302.349 2.000 0 40 DDAB CNC(=O)C[C@@H]1OC[C@H]2CN(c3nc(C)cc(C)n3)CC[C@@H]12 1565541878 HKYVIVLCQWYHGX-MCIONIFRSA-N 304.394 1.071 0 40 DDAB O=C(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 2055746166 UHHXNKPQVHZCHI-ARFHVFGLSA-N 302.374 1.767 0 40 DDAB O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ccccc1 23180332 KGQXOOPZYWDYJT-KRWDZBQOSA-N 311.385 1.885 0 40 DDAB O=C(c1ccoc1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206694034 RYJWMPPYRPORPK-CYBMUJFWSA-N 309.343 1.702 0 40 DDAB O=C(NCCn1ccn2nccc12)c1ccc2nsnc2c1 206743489 UFEWPTYEPXPMAK-UHFFFAOYSA-N 312.358 1.571 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)c4ccco4)[C@H]3C2=O)cc1 100112567 JCTTVFUJJZCZTB-OCCSQVGLSA-N 323.308 1.288 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 31398960 DHQAEAQXGINLBQ-MFKMUULPSA-N 316.336 1.653 0 40 DDAB C[C@@H](NC(=O)c1cccc(I)c1)C(=O)O 20305008 XUOVHYTXFRGXBR-ZCFIWIBFSA-N 319.098 1.494 0 40 DDAB O=C(Nc1ccncc1)c1c(O)c2cccc3c2n(c1=O)CC3 100621302 FGNRTQNIYFFVDY-UHFFFAOYSA-N 307.309 1.911 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)c2ccoc2C)c1 31748229 XNHLNBBDMAQNNG-UHFFFAOYSA-N 308.359 1.426 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2 31813971 AEERITWADMNTSX-LBPRGKRZSA-N 313.361 1.979 0 40 DDAB C[C@]1(NC(=O)c2nc(Cl)ccc2Cl)CCS(=O)(=O)C1 32667773 UDIWKTMSPJMXFR-NSHDSACASA-N 323.201 1.695 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c(C)n1Cc1ccco1 41128371 PCHNHCFAGNFEFW-ZDUSSCGKSA-N 315.373 1.694 0 40 DDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccn(C)n2)CC1=O 52528277 BFDLQMZZACENQB-TZMCWYRMSA-N 312.373 1.968 0 40 DDAB CN(C(=O)c1cc2c(s1)CCOC2)[C@H]1CCS(=O)(=O)C1 102978431 PDYXGRPVXMIQOK-JTQLQIEISA-N 315.416 1.080 0 40 DDAB CCS(=O)(=O)NC1CCN(C(=O)C2CCCCC2)CC1 32928650 DMCOGROYJWIPDD-UHFFFAOYSA-N 302.440 1.497 0 40 DDAB COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC 501963 WTTYMJRWTPKGCX-UHFFFAOYSA-N 317.345 1.587 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccccc1 103937096 ZGJIYCXBXKHABK-UHFFFAOYSA-N 310.357 1.498 0 40 DDAB CCC(=O)N[C@@H]1C[C@H]2C(=O)Nc3c(C)cccc3[C@@H]2OC1=O 31960 PLYNMYXRDBMNTN-GYSYKLTISA-N 302.330 1.446 0 40 DDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccn1 1441659 KDTPCMWLLSNKGH-CYBMUJFWSA-N 318.358 1.112 0 40 DDAB CC(C)n1ccc(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 78982473 SQGNTECAKSYCMH-ZDUSSCGKSA-N 319.409 1.069 0 40 DDAB Cc1cc(NC(=O)CSCC(=O)Nc2cc(C)on2)no1 804481 UKMGVJCIMYSIIM-UHFFFAOYSA-N 310.335 1.590 0 40 DDAB O=C1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)CCN1 3540081 AUIJMRYIDPVFEH-UHFFFAOYSA-N 301.268 1.076 0 40 DDAB CN1CC[C@H](C(=O)Nc2ncn(Cc3ccccc3)n2)CC1=O 54113883 OKACFEFXWKUUPA-ZDUSSCGKSA-N 313.361 1.133 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](c1cccs1)N(C)C 47833217 XEBDNKZENXAJGR-STQMWFEESA-N 321.450 1.935 0 40 DDAB CCOC(=O)N1CCN(C(=O)CSc2ccc(O)cc2)CC1 47884412 NEUFFJZIOKCQFB-UHFFFAOYSA-N 324.402 1.785 0 40 DDAB Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)n1C 23238974 BTXFZUTWWSXQIB-UHFFFAOYSA-N 321.402 1.635 0 40 DDAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccccc1 4353900 GQXHEZKPLVOAJK-GOOCMWNKSA-N 322.430 1.897 0 40 DDAB Cc1nccn1-c1ccc(CNC(=O)c2ccc[nH]c2=O)cn1 54625787 LTIVLZDQWKMXLQ-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 24089614 KISDQYIUMYINFH-PBHICJAKSA-N 318.373 1.285 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 105852427 KKEDPYBCIZPFAA-AWEZNQCLSA-N 314.389 1.622 0 40 DDAB COC(=O)c1ccc(CNC(=O)C[C@@H](C)n2ccnc2)cc1 12551741 VXFLCFJGWAFVSR-GFCCVEGCSA-N 301.346 1.937 0 40 DDAB COc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1 1387510 SNLMRHXUYSDKJN-UHFFFAOYSA-N 306.387 1.819 0 40 DDAB Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 25096410 JVQZYZADRWYMIJ-UHFFFAOYSA-N 319.386 1.010 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)[C@@H](C)OCc1ccccc1 48082067 WBUGQQRTXKONAE-CQSZACIVSA-N 306.406 1.965 0 40 DDAB Cc1c([C@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)cnn1C 25006702 BUGVUXWAPBTAJG-VIFPVBQESA-N 311.345 1.456 0 40 DDAB CNC(=O)CSc1nnc2n1CCN2c1ccc(F)cc1 9651499 SPWTZFHYKVYBNV-UHFFFAOYSA-N 307.354 1.407 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCC(C)C 48244470 DKPSUNSFEZOZPA-UHFFFAOYSA-N 314.389 1.845 0 40 DDAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCO 71073082 YSKNIVWAFLENKP-UHFFFAOYSA-N 310.353 1.864 0 40 DDAB Cc1cc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)no1 44896070 AVNMLGRDVOQJOW-NSHDSACASA-N 318.255 1.495 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cn1 58283788 HRJCDTGVHQHTRI-HNNXBMFYSA-N 312.373 1.592 0 40 DDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCC(c3cc[nH]n3)CC2)C[C@@H](C)O1 58229723 IFXSRLUHLVXPNG-HZSPNIEDSA-N 320.437 1.613 0 40 DDAB Cc1cc(NC(=O)NCCOc2ccc3c(c2)OCO3)n(C)n1 44944981 WWGOJFJGLKVMRL-UHFFFAOYSA-N 318.333 1.658 0 40 DDAB C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccccc1 12772410 QYMBQZCBHUFKJE-JTQLQIEISA-N 303.391 1.805 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)cn1C 58329607 KMNVNABVTCGYDN-LBPRGKRZSA-N 307.375 1.011 0 40 DDAB C[C@@H](CO)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 95407689 XEELWXVWVHQJSM-STQMWFEESA-N 309.385 1.151 0 40 DDAB CSc1ccc(NC[C@H](C(C)C)N2CCN(C)CC2)nn1 95403055 YZZLBRICNVJTLG-CYBMUJFWSA-N 309.483 1.882 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1 23141965 CVSRBUBWFJRUMX-SNVBAGLBSA-N 301.346 1.182 0 40 DDAB Cc1ncccc1NC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C 95440911 CFOAHBRVIYWKJO-AWEZNQCLSA-N 318.421 1.565 0 40 DDAB NC(=O)COc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 29014584 DGVPXHQONLTPPE-OAHLLOKOSA-N 312.325 1.493 0 40 DDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCc3ccsc3)cc21 46366364 AZZAASUBMLFCBT-UHFFFAOYSA-N 316.382 1.928 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2ccccc2C)NC(=O)NC1 12870001 NBQMPYUEGDLTED-UHFFFAOYSA-N 318.329 1.282 0 40 DDAB CC(=O)N[C@H](C/C(O)=N/S(C)(=O)=O)c1ccc(Cl)cc1 48480093 ADXPFMYDPHPVPB-LLVKDONJSA-N 318.782 1.823 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2ccccc2[nH]c1=O 12917260 AGXBZCBMPCHAJJ-ZDUSSCGKSA-N 313.313 1.329 0 40 DDAB Cc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 12993580 LREVNLGRYQEGRZ-UHFFFAOYSA-N 310.361 1.813 0 40 DDAB CN(C)S(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1 48877735 FEPLHNZSTQVQAQ-UHFFFAOYSA-N 302.359 1.875 0 40 DDAB Cc1nc2n(c(=O)c1C)CN(CCCO)CN2c1ccccc1 38829846 NOVFUPGADMYFPV-UHFFFAOYSA-N 314.389 1.611 0 40 DDAB Cn1ncc2c1NC(=O)CS[C@@H]2c1ccc(C(=O)O)cc1 49546920 ZHEPUHAHKKKSAU-GFCCVEGCSA-N 303.343 1.893 0 40 DDAB C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)cc1 95461357 YQFBFWCJHLVOQL-JTQLQIEISA-N 317.320 1.340 0 40 DDAB c1nc2c(c(N3CCOCC3)n1)CN(CC1CCCC1)CC2 65465387 AWALFUICZDQSNL-UHFFFAOYSA-N 302.422 1.862 0 40 DDAB C/C=C/c1ccc(OC[C@@H](O)CN[C@@H](CC)CO)c(OC)c1 6552534 SSOTZYNVHANWFJ-PGXISHIXSA-N 309.406 1.829 0 40 DDAB Cc1nc2nc(CCNC(=O)c3ccc(F)cc3)cn2nc1C 6665662 NKTBMZIGCMEBMR-UHFFFAOYSA-N 313.336 1.853 0 40 DDAB CCC[C@@H](NC(=O)N1CCNC(=O)C1)c1ccc(F)cc1F 96467283 QPVDVBOPROIVQU-CYBMUJFWSA-N 311.332 1.947 0 40 DDAB CCCNC(=O)c1cccc(C(=O)NCc2cnn(C)c2)c1 96420696 QXUQQCFMAGFMCK-UHFFFAOYSA-N 300.362 1.490 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2 7990986 QABIOPGXVFALMA-AWEZNQCLSA-N 301.346 1.173 0 40 DDAB O=C(CNC(=O)Cc1noc2ccccc12)NCc1ccco1 7954140 OCUNUNFUZXKQPT-UHFFFAOYSA-N 313.313 1.396 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2n1 9515895 USAZBSMWQFAQIA-NSHDSACASA-N 321.406 1.128 0 40 DDAB Cn1cc([C@@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccsc2)cn1 71857702 NGEXPHIULZDTMM-DGCLKSJQSA-N 305.359 1.656 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 70008669 QAEBXWCEQIZQSE-NVXWUHKLSA-N 320.433 1.507 0 40 DDAB Cc1c(O)ccc2c(Cn3cnnc3[S@](C)=O)cc(=O)oc12 70037587 USHZWZRYADBPLP-JOCHJYFZSA-N 319.342 1.184 0 40 DDAB Cc1ccn2cc(CNC(=O)NC[C@@H]3CCC[C@@H](O)C3)nc2c1 73810247 QNDBVSZXEGFKOI-UKRRQHHQSA-N 316.405 1.993 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCn1ccc3ccccc31)C2 69510968 WQCDKJRGVKDJQV-UHFFFAOYSA-N 309.373 1.974 0 40 DDAB Cc1nc2c(c(C)c1CC(=O)N1CCC[C@H](C)C1)c(=O)[nH]n2C 69509887 FFGPKRFSTIIZNV-JTQLQIEISA-N 316.405 1.679 0 40 DDAB COc1ccc(C(=O)OCC(=O)N(C)Cc2ccccc2)cn1 8512447 ZMPISHBJRSNOKU-UHFFFAOYSA-N 314.341 1.906 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN[C@@H]1CCc2ncnn2C1 69707473 PLYMVXSSWKJBFT-GXTWGEPZSA-N 311.389 1.160 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)/C=C/CN(C)C)CC1 69873928 WLYMKCSXRIEJEW-RMKNXTFCSA-N 301.434 1.757 0 40 DDAB CC[C@@H](C(=O)N1CCC(S(=O)(=O)NC)CC1)c1ccccc1 69845408 GBPUEZGYGBRLNM-OAHLLOKOSA-N 324.446 1.720 0 40 DDAB CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](N2CCCC2)C1 69893960 QFYUBISULHGZJD-AWEZNQCLSA-N 309.454 1.626 0 40 DDAB COC[C@@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F 76083646 DYCRAAKRTOVIAU-HQJQHLMTSA-N 319.174 1.739 0 40 DDAB COCCN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 69967213 RTMDYFNAZZFLKJ-UHFFFAOYSA-N 318.396 1.775 0 40 DDAB CS(=O)(=O)NCCN1CC[C@H](Oc2ccccc2Cl)C1 95973187 WPHAHFIISTVVSC-NSHDSACASA-N 318.826 1.342 0 40 DDAB O=C1NCCCN1CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84136678 SXPIAITYWDXLKU-LLVKDONJSA-N 319.365 1.026 0 40 DDAB Cc1csc([C@H]2CCCN(C(=O)CCn3cncn3)C2)n1 72298838 CWWJYNIZNYTVPV-LBPRGKRZSA-N 305.407 1.839 0 40 DDAB O[C@H](CNCCn1cccn1)CO[C@@H]1CCCc2ccccc21 72254034 LILPTWXYJDHBLD-SJLPKXTDSA-N 315.417 1.928 0 40 DDAB CS(=O)(=O)c1ccc(OCCNC(=O)N2CCCC2)cc1 72268144 PEORLPNLUQDBHV-UHFFFAOYSA-N 312.391 1.274 0 40 DDAB Cc1cc(C)nc(NC[C@]2(N3CCOCC3)CCSC2)n1 97286627 FVBVINKWCCNQII-OAHLLOKOSA-N 308.451 1.713 0 40 DDAB CCCc1n[nH]c([C@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n1 76049200 PFPUBAIPEPIMQD-CYBMUJFWSA-N 317.393 1.029 0 40 DDAB Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(=O)[nH]1 75118545 IOKGJIXRNCJOBO-OAHLLOKOSA-N 317.364 1.855 0 40 DDAB C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1nncn1C 75122041 HIXPDUJVWMDCPV-NSHDSACASA-N 323.356 1.661 0 40 DDAB Cn1ccnc1CN1CCO[C@@H]2[C@H](Cn3cccn3)CC[C@@H]21 306140625 UZCVUJAHTCHMCG-OFQRWUPVSA-N 301.394 1.296 0 40 DDAB O=C(NCCOc1ccccc1)c1ccc(-n2cccn2)nn1 70641285 YFYMQNGJGCVABR-UHFFFAOYSA-N 309.329 1.471 0 40 DDAB COc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H](F)CN3)s2)cc1 188985017 JVYVIKCTXXWYTN-GXSJLCMTSA-N 322.365 1.852 0 40 DDAB O=C(OC[C@H]1CC=CCC1)C1=CC=CN2CCS(=O)(=O)N=C12 71800519 PCDUKXQJUYRIGO-LBPRGKRZSA-N 322.386 1.384 0 40 DDAB CN(C)c1cccc(C[C@@H]2COCCN(Cc3ncc[nH]3)C2)n1 72381120 MHQMADKKHNKLSX-AWEZNQCLSA-N 315.421 1.562 0 40 DDAB CC(=O)N1CCC(c2cnc(C(=O)NC3CCCC3)cn2)CC1 72360425 ZEEIYPRLNIDCEO-UHFFFAOYSA-N 316.405 1.875 0 40 DDAB Cc1cccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)c1C 36635287 PETBULGINGZOTJ-GFCCVEGCSA-N 303.387 1.946 0 40 DDAB CCn1nc(C)c(CN[C@@H]2CCCc3c2cnn3CCO)c1C 78552348 TYVUOXSECHEZRL-MRXNPFEDSA-N 317.437 1.876 0 40 DDAB CNc1cc(Nc2nccc([C@H]3CCCN3C(C)=O)n2)ncn1 72377486 OWKCDLQLJXXSPU-GFCCVEGCSA-N 313.365 1.735 0 40 DDAB CCO[C@H](C)C(=O)N(CCCO)S(=O)(=O)c1cccs1 78442612 PKUKHYBYYLGTPB-SNVBAGLBSA-N 321.420 1.073 0 40 DDAB CCC1=C(C(=O)OC)[C@H](c2ccccc2F)n2nnnc2N1 72332268 HSHSBKOKYBWAQM-LBPRGKRZSA-N 303.297 1.664 0 40 DDAB O=C(NCCCn1ccnc1)c1ccccc1N1CCOCC1 79351848 HTJAMVJJTRLTBA-UHFFFAOYSA-N 314.389 1.540 0 40 DDAB Cc1cnc(CNc2ccc(S(=O)(=O)CCO)cc2C)o1 192487644 SGLKUUMOSDLFPC-UHFFFAOYSA-N 310.375 1.670 0 40 DDAB Cc1nn(C)c2cn([C@@H](C)C(=O)N[C@@H](C)c3ccncc3)nc12 41123802 CEDHMMIHCZFFOY-JQWIXIFHSA-N 312.377 1.912 0 40 DDAB CCCCCC[C@]1(C)NC(=O)N(CCS(C)(=O)=O)C1=O 49998844 ZAUNPJDXEZEHRF-ZDUSSCGKSA-N 304.412 1.312 0 40 DDAB COC[C@@H](C)NC(=O)c1snnc1-c1cccc(OC)c1 225768226 VZUJFVDCGSASMB-SECBINFHSA-N 307.375 1.978 0 40 DDAB CCN(CC)CCNC(=O)CCC(=O)NCc1ccc(F)cc1 199428796 FKNZCKKNPJANSN-UHFFFAOYSA-N 323.412 1.680 0 40 DDAB COC(=O)C[C@@H](c1ccco1)c1c(O)nc2ccccn2c1=O 96222393 SYVQIMFUQYSDIY-JTQLQIEISA-N 314.297 1.688 0 40 DDAB biogenic Cn1cc(CN2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)cn1 96044897 JEHPIVJWRARQMF-OAHLLOKOSA-N 315.421 1.680 0 40 DDAB CN(C)C(=O)N1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 96046587 KVFDKOPEMBGHCA-UHFFFAOYSA-N 316.405 1.691 0 40 DDAB CN(C)C(=O)N[C@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 96186845 JHISFPLGTGSBJP-RRFJBIMHSA-N 304.394 1.085 0 40 DDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1ncc(F)cn1)C2 96220223 TYBVHCXAUGRMID-WMLDXEAASA-N 320.412 1.800 0 40 DDAB O=C([C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCCC1 96344286 UZZNWRQDYAOXMH-JTQLQIEISA-N 316.336 1.677 0 40 DDAB Cc1cc(C(=O)NCCCC(N)=O)nn1-c1cccc(Cl)c1 96494580 MIOLJDCNGBXMEG-UHFFFAOYSA-N 320.780 1.829 0 40 DDAB COCCC(=O)N1CCc2ncnc(-c3cccnc3)c2CC1 96187613 MNPDKQJHJCYFAQ-UHFFFAOYSA-N 312.373 1.502 0 40 DDAB O=C(N[C@@H]1CCC12CCN(CC1CC1)CC2)c1cnccn1 96051530 FBGZCVNWYGNGQP-OAHLLOKOSA-N 300.406 1.861 0 40 DDAB C[C@H](O)C[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1Cl 96487121 QATQOZPSOJOGOP-RYUDHWBXSA-N 324.808 1.832 0 40 DDAB COCCNC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1 247837789 JRWGLKYHASZWMV-AWOKKLPBSA-N 315.369 1.809 0 40 DDAB Cc1nc([C@H]2CCNC2)nc2c1CC(=O)N2CCc1ccccc1 257336744 YPVHZQUAEDDEBH-HNNXBMFYSA-N 322.412 1.994 0 40 DDAB O=C(c1ccc(O)cc1)N1CCC[C@](O)(CN2CCCC2)CC1 257230810 GEAORCMMJLXOIL-GOSISDBHSA-N 318.417 1.845 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2Cc2scnc2C)n1 257244698 IMKPHPBEPDJFGW-GFCCVEGCSA-N 306.391 1.829 0 40 DDAB CN1C(=O)CO[C@H]2CCN(Cc3ccc(C(=O)O)cc3)CC[C@@H]21 257248128 JCFJRZNSTIAIOI-GJZGRUSLSA-N 318.373 1.206 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)no1 257256099 KKBVJDYROWQHFB-MRVWCRGKSA-N 304.350 1.372 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cccn3C)CCO2)n1 257233303 GOROIRHXJHHDFP-LBPRGKRZSA-N 302.334 1.043 0 40 DDAB Cc1cc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)n(C)n1 262868482 FUVNRGHJGINVRC-UHFFFAOYSA-N 305.309 1.595 0 40 DDAB Cc1nnc(NC(=O)c2cccc3c2oc(=O)n3C)n1C1CC1 285362452 JTOMWKPVECAHEM-UHFFFAOYSA-N 313.317 1.619 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1cc(C)on1)c1ccc(C)s1 96104843 OBMMYGFXQWEVFF-JTQLQIEISA-N 323.374 1.795 0 40 DDAB COc1cc(CN2Cc3ccnn3CC[C@@H]2CO)cc(OC)c1 585097478 MENJMENHEDHTGJ-OAHLLOKOSA-N 317.389 1.667 0 40 DDAB CCOc1cccc(CNC(=O)NCCc2nc(C)no2)c1 65585055 HXILXVYMFSUDIL-UHFFFAOYSA-N 304.350 1.819 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2ccc(OC(F)F)cc2)C1=O 66082956 RLUVVNAJZYIUGE-AWEZNQCLSA-N 314.288 1.745 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3ncccc3O)CC2)on1 69844185 RMYIYYILIHUARF-UHFFFAOYSA-N 302.334 1.042 0 40 DDAB CC(C)(O)CN1CCN(C(=O)CCOc2ccccc2F)CC1 69951415 JBNKNHHIOURWTA-UHFFFAOYSA-N 324.396 1.510 0 40 DDAB C[C@@H]1CCCCN1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 37193383 CGPASWRIINSNKM-IUODEOHRSA-N 317.389 1.140 0 40 DDAB O=C(NCCNc1ncccn1)N(C[C@@H]1CCOC1)C1CC1 47057685 FQWGHCSJNZQRFO-LBPRGKRZSA-N 305.382 1.099 0 40 DDAB COc1ccc([C@H](C)NC(=O)N2CCNC(=O)CC2)cc1F 75583982 MPJALWOWQJBXHE-JTQLQIEISA-N 309.341 1.427 0 40 DDAB CC(C)COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1 40549822 VFLIGOAKGRWRRY-LBPRGKRZSA-N 312.391 1.033 0 40 DDAB CNC(=O)c1cccc(CCNc2nc3ccccc3c(=O)[nH]2)c1 77229264 OGADRQUIGGCEJW-UHFFFAOYSA-N 322.368 1.937 0 40 DDAB Cc1ccccc1-c1noc(=O)n1CC(=O)N(C)CC1CC1 58280100 NAMLIUBCFIEXNV-UHFFFAOYSA-N 301.346 1.680 0 40 DDAB O=C(COC(=O)COc1ccccc1)NCCc1ccccc1 5459949 LOYHIYIJEUTBNM-UHFFFAOYSA-N 313.353 1.968 0 40 DDAB CCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 12233641 KFUFSWFOKBTGMW-UHFFFAOYSA-N 313.361 1.238 0 40 DDAB Cc1noc([C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)CN2C)n1 12530054 KAJXHNAEHQRYRM-AAEUAGOBSA-N 322.390 1.102 0 40 DDAB biogenic,in-vitro Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)on1 13596849 GVNNKLZLITWJOF-UHFFFAOYSA-N 312.322 1.925 0 40 DDAB COc1cc(OC)nc(NS(=O)(=O)c2ccc(C)cc2)n1 16310667 WJXWKDFSPOIGHC-UHFFFAOYSA-N 309.347 1.603 0 40 DDAB CNS(=O)(=O)c1ccc(CCC(=O)NCCC(C)C)cc1 17172530 MXGXAPXFELMXHO-UHFFFAOYSA-N 312.435 1.690 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 225437803 LSAZQDSQMCECBY-OLZOCXBDSA-N 303.362 1.821 0 40 DDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)N1CCOCC1 238875928 OAQVCEFZKFUSNL-UHFFFAOYSA-N 319.321 1.144 0 40 DDAB CCOC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2 7778265 LUKZFFBESBVMIV-UHFFFAOYSA-N 321.329 1.370 0 40 DDAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCNC(=O)C1 14930424 BYVSRDUXZMJSJE-VIFPVBQESA-N 315.295 1.464 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2onc(C)c2c1 24728992 WWMHNIZAEJEWCA-GFCCVEGCSA-N 305.334 1.849 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]21)N1CCCC1 1614929664 QGQRTTAFIHKTOD-HZSPNIEDSA-N 324.396 1.365 0 40 DDAB CN(C1CCN(Cc2ccccn2)CC1)S(=O)(=O)C1CC1 2087139737 GXWLGPBHXGABKL-UHFFFAOYSA-N 309.435 1.470 0 40 DDAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(O)CC1 4374025 BKNLFNXHDHEDKX-GFCCVEGCSA-N 321.352 1.097 0 40 DDAB CCOc1nn(CC)cc1C(=O)N1CCC(C(=O)OC)CC1 9070091 KZWCRORYHVECDU-UHFFFAOYSA-N 309.366 1.327 0 40 DDAB NC(=O)Cc1ccc(NC(=O)COc2ccccc2F)cc1 13715751 JBKZTKHSNXYOQR-UHFFFAOYSA-N 302.305 1.871 0 40 DDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)C(C)(C)C)C1 2055771660 PIAGWJTVPUVISL-INIZCTEOSA-N 306.410 1.335 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cnsn2)CC1 585148857 KSIZTOGATHAQLW-LBPRGKRZSA-N 318.402 1.654 0 40 DDAB Cc1cc(N2CC(C(=O)N3CCOCC3)C2)nc2ccccc12 2298055239 IBGBDDKDGZKSEK-UHFFFAOYSA-N 311.385 1.838 0 40 DDAB Cc1[nH]c2nc(NC(=O)c3ccccc3F)nn2c(=O)c1Cl 100650750 PRBAMHBLJANONB-UHFFFAOYSA-N 321.699 1.771 0 40 DDAB CC(C)C[C@@H]1COCCN1C(=O)NCc1nnc2ccccn12 73034823 YXYIBBXSCDNOJE-CYBMUJFWSA-N 317.393 1.686 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 50246612 FNWDZIBZRXXAJB-SECBINFHSA-N 319.224 1.418 0 40 DDAB Cc1ccoc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 30967061 NACFIGNHJHCWPC-JTQLQIEISA-N 316.313 1.871 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2ccc(Cl)cc2[nH]1 40510405 NNNMTXHJTDWNQN-SNVBAGLBSA-N 312.778 1.738 0 40 DDAB COCCOCCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40511108 FKNIRZILHCXSOP-UHFFFAOYSA-N 321.352 1.999 0 40 DDAB C/N=c1\sc(C(=O)Nc2ccc(Cl)cc2)cc(=O)n1C 101167706 YDSFJHKVVOYILI-SQFISAMPSA-N 309.778 1.883 0 40 DDAB CCCn1c(=O)n(-n2cnnc2)c(=O)c2c3c(sc21)CCC3 32070611 AVGLQFBUGXMLSV-UHFFFAOYSA-N 317.374 1.026 0 40 DDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cnccn1 32295146 YNDNLQGVRUJOOM-UHFFFAOYSA-N 312.251 1.743 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@H]1C[C@H]2C=C[C@H]1C2 101705022 SRJUFPDHMIKWRJ-KCQAQPDRSA-N 313.401 1.451 0 40 DDAB O=C(O)CNC(=O)c1ccc(NC(=O)c2ccsc2)cc1 21012670 VMHZSHJPAWUSDL-UHFFFAOYSA-N 304.327 1.815 0 40 DDAB COc1ccccc1C(=O)NCCCCN1CCN(C)CC1 41362551 BVWWDKBAAUWOHJ-UHFFFAOYSA-N 305.422 1.453 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC(=O)n3cnnc3N2)cc1Cl 538726 QSZDXIMAVXHCNZ-SNVBAGLBSA-N 305.725 1.703 0 40 DDAB CCc1nnsc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 22694267 MJERHOLRVDKHPX-NSHDSACASA-N 312.439 1.187 0 40 DDAB CC1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 47102189 MYYFTECFKZOFSD-CQSZACIVSA-N 303.410 1.887 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 341545 OBDAENMBAXIKKG-UHFFFAOYSA-N 324.292 1.609 0 40 DDAB CN(C)[C@H]1N(c2ccc(F)c(Cl)c2)C(=O)[C@@H]2CCC(=O)N21 12413923 BTPPIVIFIBWRNQ-FZMZJTMJSA-N 311.744 1.662 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1 95944601 YSMIUHGBHBWBQY-LBPRGKRZSA-N 307.712 1.831 0 40 DDAB CCCCn1c(SCC(=O)NC)nnc1-c1cccnc1 4161402 GBIONHLCANRZCL-UHFFFAOYSA-N 305.407 1.978 0 40 DDAB Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)no1 4375027 UTNNDCAPMCCNFN-UHFFFAOYSA-N 308.367 1.815 0 40 DDAB NC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4893717 ZGEIDPUBZRITMP-URBCHYCLSA-N 300.314 1.247 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)c2ccccc2C)n1 6636099 LQIITQXGJKEAMQ-UHFFFAOYSA-N 318.406 1.908 0 40 DDAB CCOCCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 8390002 IKAHTNZYVCWFNM-UHFFFAOYSA-N 321.782 1.441 0 40 DDAB C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)N[C@H](C)c2nncn2C)C1 106924245 DWFWLSUMTWXVAZ-XHBSWPGZSA-N 323.441 1.753 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccc(F)c1 55863391 JXBFUHMUBWFDEN-GXTWGEPZSA-N 311.378 1.924 0 40 DDAB Cc1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)cs1 107505640 DPPKMUAISHSANL-ABAIWWIYSA-N 322.434 1.604 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2cccc3ncccc23)CC1 35301163 NOPBHYDLFMTCCK-UHFFFAOYSA-N 312.373 1.337 0 40 DDAB COC[C@]1(CNCc2cn(C)c3ccccc23)C[C@H](O)[C@H](O)C1 107283890 UMFBVEPBBCXPIR-PIIMJCKOSA-N 318.417 1.416 0 40 DDAB biogenic,in-vitro COc1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1 1767951 NYNQBTNLZGRWKM-UHFFFAOYSA-N 322.748 1.351 0 40 DDAB COc1cc(CN[C@@H](C)CN2CCCC2=O)cc(OC)c1OC 58245718 JEKSVIUIXVMJCO-LBPRGKRZSA-N 322.405 1.813 0 40 DDAB C[C@H](NC(=O)c1ccc(Cl)cc1F)C(=O)N1CCOCC1 58215534 NOONHHCVGHRJFG-VIFPVBQESA-N 314.744 1.456 0 40 DDAB Cc1cc(NC(=O)CN2CCN(C(=O)OCC(C)C)CC2)on1 58299513 XKLHTUYRXDXWEY-UHFFFAOYSA-N 324.381 1.332 0 40 DDAB CN(C)c1ncccc1CNC(=O)NCc1cn2ccccc2n1 44950765 NIYNZSJIIIXYLK-UHFFFAOYSA-N 324.388 1.795 0 40 DDAB C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)N1CCN(C)CC1 95979614 BVXYCBBFHLQMOS-CHWSQXEVSA-N 323.462 1.462 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccc(F)cc2)C1 27939369 YJXVSKIUWZOCJB-LBPRGKRZSA-N 300.399 1.935 0 40 DDAB COCCN1C[C@H](C(=O)N2CCc3sccc3C2)CC1=O 45313470 FIKHIHJOBPRJLD-GFCCVEGCSA-N 308.403 1.128 0 40 DDAB COc1cc(CNC(=O)c2cn(Cc3ccccc3)nn2)ccn1 29197325 IUWZUVINYYCLLZ-UHFFFAOYSA-N 323.356 1.660 0 40 DDAB C[C@H]1CN(C(=O)CCCn2cc(Br)cn2)CCO1 48325991 ABWPAWGEXUUEQL-JTQLQIEISA-N 316.199 1.673 0 40 DDAB CCCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 48356682 KXJYZXCWWMYTIM-KBPBESRZSA-N 306.410 1.767 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1 46707507 WKXDQIGYKYOODO-UHFFFAOYSA-N 305.309 1.693 0 40 DDAB CN(CC(=O)O)[C@@H](C(=O)O)c1c(C(=O)O)n(C)c2ccccc12 110045309 FSQNKBVJRHICDK-GFCCVEGCSA-N 320.301 1.019 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 3597190 STTMTAHUIDJOSA-CYBMUJFWSA-N 319.361 1.600 0 40 DDAB Cc1cc(=O)c(O)c(CN2CCN(c3ccccn3)CC2)o1 71279081 GWQMDFQKJJKABP-UHFFFAOYSA-N 301.346 1.371 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)Cc1cccs1 48963482 LXFUYHIEYBOYGY-UHFFFAOYSA-N 304.437 1.078 0 40 DDAB CCS(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 9183906 PCVRQWGGGSWSPS-CMDGGOBGSA-N 323.399 1.984 0 40 DDAB O=C(Nc1nc2ccccn2n1)N[C@H]1c2ccccc2C[C@H]1O 96004075 ZRHCCGIGHPNORN-OCCSQVGLSA-N 309.329 1.509 0 40 DDAB CCCN1CCC(CNC(=O)N[C@H]2CCN(C(=O)CC)C2)CC1 84755287 HGFCKDZOBDZKFP-HNNXBMFYSA-N 324.469 1.419 0 40 DDAB CC(C)N1C[C@H](C)[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 84714576 AHKBBOFJBDCWKX-GWCFXTLKSA-N 301.387 1.228 0 40 DDAB CC(C)N1C[C@H](C(=O)NCCNC(=O)C2CCCCC2)CC1=O 65402361 DYWPYNOANFYLEW-CQSZACIVSA-N 323.437 1.056 0 40 DDAB COc1ccc([C@@H]2NC(=O)[C@H]3CCCCN32)c(OC)c1OC 65552623 DRVFOFVIVASHDT-IAQYHMDHSA-N 306.362 1.695 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)c1ccc(O)cc1O 14116935 LGUYYGGIEWFEBU-UHFFFAOYSA-N 307.331 1.293 0 40 DDAB CC(C)N1C(=O)CN(CN2CCN(c3ccccc3)CC2)C1=O 65603874 FYHLWSDVEBBCLS-UHFFFAOYSA-N 316.405 1.439 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1 14221011 PNXMFHCCCIRRCE-YGRLFVJLSA-N 312.391 1.491 0 40 DDAB Cc1ccc(C(=O)Oc2ccc(NS(C)(=O)=O)cc2)n1C 66517240 YHIRMSUZTCHGFO-UHFFFAOYSA-N 308.359 1.924 0 40 DDAB COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(O)c1 6800745 RWERTEIFUTWPPA-UHFFFAOYSA-N 307.327 1.980 0 40 DDAB CNC(=O)[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(C)=O 9421956 IZTVOPYRXRXPRB-JTQLQIEISA-N 303.347 1.006 0 40 DDAB C[C@H](Sc1ncn[nH]1)C(=O)NC(=O)NCc1ccccc1 9503522 USPZADIFIFXSQM-VIFPVBQESA-N 305.363 1.311 0 40 DDAB COC[C@@H](O)CN(C)c1nc2ccccc2c2nc(C)nn12 71899455 DBBLQMDLNXMELL-NSHDSACASA-N 301.350 1.029 0 40 DDAB NC(=O)[C@@H](CNC(=O)c1ccccn1)Cc1ccc(F)cc1 71826897 DFZGYUWMRJMCFK-GFCCVEGCSA-N 301.321 1.295 0 40 DDAB COc1ccc(-c2nn3c(=O)c(C)nnc3s2)cc1OC 8394018 PWBXKBASYWRTKG-UHFFFAOYSA-N 304.331 1.539 0 40 DDAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)C(=O)N(C)C 69520733 ZGKLXTUYWMURQG-VIFPVBQESA-N 321.402 1.847 0 40 DDAB CCOc1ccc(OCCC(=O)NCCN(C)CCOC)cc1 69950574 LJQDWQVIMVPPNO-UHFFFAOYSA-N 324.421 1.549 0 40 DDAB OCC[C@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 69977711 UVWHUAYBJIAMKZ-ZBFHGGJFSA-N 311.397 1.798 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(F)c(F)c1 8726460 OIAINSCWWREOOQ-UHFFFAOYSA-N 322.315 1.688 0 40 DDAB CN(C)C(=O)Cn1cc(NC(=O)Nc2cccc(F)c2F)cn1 72290929 CLWCHBUUHFYZQY-UHFFFAOYSA-N 323.303 1.894 0 40 DDAB CN(C)[C@@H]1CCCN(C(=O)NCCNC(=O)C2CCCC2)C1 72274292 VGZYZOOVVABVFS-CQSZACIVSA-N 310.442 1.028 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)cc1C 72294332 YQBIAHBHNZNTSU-DZGCQCFKSA-N 304.390 1.909 0 40 DDAB Cc1nc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)cs1 84274763 NIYVJBPICVCORC-AWEZNQCLSA-N 319.434 1.579 0 40 DDAB Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc(C)cc2=O)c1 97375786 VPNZSUYRYADOKG-GFCCVEGCSA-N 308.765 1.953 0 40 DDAB COc1cc2c(cc1CN[C@@H]1CCCCNC1=O)O[C@H](C)C2 85876844 DPIPYWPGHOPPGS-BXUZGUMPSA-N 304.390 1.777 0 40 DDAB Cc1ccc(COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 9984537 LAFLCRZDFMZSDH-UHFFFAOYSA-N 311.403 1.710 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C)n1C(C)C 89575562 CAPNOVKNNMWCHS-JSGCOSHPSA-N 307.394 1.449 0 40 DDAB Cc1cc(C)c(CNC(=O)NCc2csc(C)n2)c(=O)[nH]1 75117850 RUIYLNBDASZIJN-UHFFFAOYSA-N 306.391 1.756 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccn(C)c1=O 75131729 ZODPBSIRFMFDKU-CQSZACIVSA-N 314.389 1.713 0 40 DDAB O=C(NCCc1ccc2c(c1)CCO2)N1CCOC[C@@H]1C1CC1 89898587 HSGDFXOBNSTJSE-MRXNPFEDSA-N 316.401 1.984 0 40 DDAB CCC(=O)N1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 89941606 MFCMBVXHDQMUMM-CQSZACIVSA-N 312.373 1.613 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 76055036 QJGAMQOSDZAFTO-APHBMKBZSA-N 320.437 1.240 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(C[C@H](O)c3ccccc3)C2)no1 76047329 BXVHBXORIQUQCB-HOTGVXAUSA-N 316.405 1.618 0 40 DDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1cc2ccccc2o1 111147167 VLVDVRWVHQQREJ-NEPJUHHUSA-N 303.314 1.835 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCCCCC1 408683425 MWSPBEAJLFQLDB-JURCDPSOSA-N 304.390 1.420 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cn1 547522359 ICNWWIUVRLGGSK-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB c1coc(CN2CN(n3cnnc3)c3nc4ccccc4n3C2)c1 20637315 GEPVSXCAHLNWGB-UHFFFAOYSA-N 321.344 1.921 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2c[nH]nc2C)C1 548346463 VSAWHLZSMPWKEU-HNNXBMFYSA-N 319.434 1.720 0 40 DDAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c[nH]nn1 182890420 XCIHRYJKBTZGSA-QMMMGPOBSA-N 309.732 1.606 0 40 DDAB COc1nccc(CN2CC3(CCOCC3)CC[C@@H]2CO)n1 528645462 NKYCXIQJGTWXII-CQSZACIVSA-N 307.394 1.239 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccccc2)ncc1C(N)=O 72345402 QUOIYKHLKCIMAN-OAHLLOKOSA-N 324.384 1.790 0 40 DDAB CC(=O)Oc1ccc([C@H]2CC(=O)N(CCN(C)C)C2=O)cc1 31730117 ZXFKWBVEQDWEPL-CQSZACIVSA-N 304.346 1.016 0 40 DDAB C[C@@H]1CN(Cc2ccc(-c3ccccn3)nc2)S(=O)(=O)C1 567661618 GNBWGIIOMDBEOV-GFCCVEGCSA-N 303.387 1.925 0 40 DDAB Cc1ccc([C@@H](CNC(=O)NC2CC2)N2CCOCC2)cc1 36075844 VQLVNBZZUCDZBU-MRXNPFEDSA-N 303.406 1.830 0 40 DDAB O=C1Nc2c(I)cccc2S(=O)(=O)N1 225810554 RQOTUJOJOUBTMQ-UHFFFAOYSA-N 324.099 1.115 0 40 DDAB CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H]1Cc2ccccc21 130995085 WVZDCKZULHSMBD-AWEZNQCLSA-N 324.446 1.791 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)COc1ccccc1F 75157451 WZDAZOZZQXMTNW-CQSZACIVSA-N 301.383 1.825 0 40 DDAB CC[C@@H](NC1CCN(c2cc(C)nc(C)n2)CC1)C(=O)OC 192855675 UDLYUDYGJPNZCJ-CQSZACIVSA-N 306.410 1.603 0 40 DDAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1CCN(C)CC1)C2 225494456 JVAOYDXLUBSQCL-KRWDZBQOSA-N 318.465 1.487 0 40 DDAB biogenic,in-vitro O=C(NC1CC1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223353560 AUENGVRVTAGBLV-GFCCVEGCSA-N 302.330 1.185 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)cc1 332260048 DUSQPDTWKJVUQP-LBPRGKRZSA-N 316.361 1.861 0 40 DDAB Cc1nsc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 96429428 KIFUFRCORXEQMX-CQSZACIVSA-N 304.419 1.702 0 40 DDAB COC(=O)C[C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1 96453933 QOYJNDAYSBPNHM-SECBINFHSA-N 304.268 1.869 0 40 DDAB CC(C)CNC(=O)CNC(=O)NCC1(c2cccc(F)c2)CC1 96417687 YVABGWYBDFLDFR-UHFFFAOYSA-N 321.396 1.929 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3cccnc3)CC2)C1=O 96157775 QGFZTUJHSOWGQC-UHFFFAOYSA-N 317.389 1.183 0 40 DDAB COCCN1CCC2(CC1)C[C@H](NC(=O)c1cccs1)CO2 96221262 WTVBZXPCBZNXRK-ZDUSSCGKSA-N 324.446 1.748 0 40 DDAB O=C(c1cccnc1)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 96072636 YDBQQEIMGZHBSM-AEFFLSMTSA-N 324.384 1.962 0 40 DDAB C[C@H]1C[C@H](C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)CCO1 331926253 KQTAKVWOHXQFDN-MELADBBJSA-N 316.401 1.849 0 40 DDAB COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1 96215299 OSOBCJRDUBSGNZ-CQSZACIVSA-N 315.373 1.890 0 40 DDAB O=C(NC[C@@H](CO)Cc1ccccn1)c1ccc(Cl)cn1 96454749 PZUKVAHOZNZNNN-NSHDSACASA-N 305.765 1.711 0 40 DDAB O=C(NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1)NC1CC1 96069300 AQEUXIAERAPROD-NSHDSACASA-N 319.390 1.367 0 40 DDAB CS(=O)(=O)N1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 96217975 RIUPMEGAMAQNTJ-AWEZNQCLSA-N 300.424 1.203 0 40 DDAB COc1ccc(N2CCC(C(=O)Nc3cccnc3)CC2)nn1 95479843 PHSIJBTZLPZQQP-UHFFFAOYSA-N 313.361 1.735 0 40 DDAB CCCn1cc(CN2CCO[C@H](c3nc(C)cc(O)n3)C2)cn1 257293084 QOAWYWGNEGXVPL-AWEZNQCLSA-N 317.393 1.671 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cc(-n3ccnc3)ccn2)C1 257288593 PUWLNLDRCZFKKN-GFCCVEGCSA-N 306.391 1.406 0 40 DDAB Cc1cc(N)cc([C@H]2CN(C(=O)C3CCOCC3)CCO2)n1 257310419 UEZVKOYIJZDFGM-OAHLLOKOSA-N 305.378 1.299 0 40 DDAB Cc1nccc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)n1 257323333 WJTCAWHNVBFWKA-JJAZEVLHSA-N 318.421 1.187 0 40 DDAB Cc1nn(C)c2nc([C@]3(C)CCCN(CC(N)=O)C3)ccc12 257333453 YBPRMOVPLJDWFY-MRXNPFEDSA-N 301.394 1.116 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CC1CCCC1 257237665 HHNLGQFITQZKSW-KRWDZBQOSA-N 316.405 1.621 0 40 DDAB CC1(c2nccs2)CCN(C(=O)CCN2CCOCC2)CC1 257340782 ZHNZUAKTTOCINP-UHFFFAOYSA-N 323.462 1.746 0 40 DDAB C[C@]1(O)CN(C(=O)c2ncccn2)CC[C@@H]1Oc1ccccc1 257312729 UPHIVUCDZHOFDS-YOEHRIQHSA-N 313.357 1.521 0 40 DDAB CCS(=O)(=O)N1CCC[C@H]1c1ccnc(CNC(C)=O)c1 257322044 WEJDTCCEMVKVBR-AWEZNQCLSA-N 311.407 1.204 0 40 DDAB O=C(c1ccco1)N1CCC(Nc2ccc3nncn3n2)CC1 298160655 QIUCDFMQYTYENV-UHFFFAOYSA-N 312.333 1.434 0 40 DDAB COCCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 59054181 CKUUIWMJBKEXMF-BETUJISGSA-N 322.409 1.853 0 40 DDAB O=C(NCc1ccc[nH]1)[C@@H]1CCCN1C(=O)Cc1ccccc1 74123628 KOISTBLMQAKNSV-INIZCTEOSA-N 311.385 1.865 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 74675580 PLNMQQPALZFNJL-WFASDCNBSA-N 321.469 1.704 0 40 DDAB C[C@@H](c1ccccc1)N(C)CC(=O)N[C@H]1CCCCNC1=O 58563372 ZYJWAACKKRQOTK-ZFWWWQNUSA-N 303.406 1.464 0 40 DDAB O=C(NCCc1ccccc1)N1CCN(C[C@@H](O)C2CC2)CC1 85466772 QLLRPUWXFBFQDC-QGZVFWFLSA-N 317.433 1.327 0 40 DDAB Cc1nnsc1C(=O)NCc1nccc(N2CCCCC2)n1 96120847 PESGXGJPPDAANY-UHFFFAOYSA-N 318.406 1.557 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 97051597 VMXXRYQQOJWXAE-GFCCVEGCSA-N 314.455 1.221 0 40 DDAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1snnc1C 12188673 SXOZFXNNZTYQJP-UHFFFAOYSA-N 318.358 1.493 0 40 DDAB O=C(CSc1nc(-c2ccccc2O)n[nH]1)N1CCOCC1 13126444 BDJSVXDKRKVZEJ-UHFFFAOYSA-N 320.374 1.128 0 40 DDAB O=C(NC[C@H]1CCCO1)Nc1cc2c3c(c1)CCN3C(=O)CC2 225549837 IPNLXJRLBPQUCL-CQSZACIVSA-N 315.373 1.822 0 40 DDAB Cn1cc(CN2CC[C@H](O)[C@@H](Oc3cccc(F)c3)CC2)cn1 643914934 ZLGWZPGOKSGEAC-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB Cc1nc(CN2CCN(c3ccc(C4CC4)nn3)CC2)no1 1849643628 NTKWYDZYZGBJLR-UHFFFAOYSA-N 300.366 1.368 0 40 DDAB Cc1noc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889101400 QXHNBXQQMHGFKW-LBPRGKRZSA-N 310.423 1.165 0 40 DDAB O=c1c(=O)n2c(nn1Cc1ccccc1)N(c1ccccc1)CC2 8848728 MJJMPCGEHDEWDG-UHFFFAOYSA-N 320.352 1.605 0 40 DDAB CCOCC(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055734732 PIDYPQUIPCRDOS-LBPRGKRZSA-N 307.394 1.280 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2ccc3nncn3n2)c(C)c1 33277227 CXMCYTNGMRWLSM-UHFFFAOYSA-N 303.347 1.542 0 40 DDAB COC(=O)c1cccc2[nH]c(B(O)OC(C)(C)C(C)(C)O)cc12 200313598 IGVFHRZKDVXUAS-UHFFFAOYSA-N 319.166 1.208 0 40 DDAB COc1cncc(O[C@H]2CCN(C(=O)/C=C/c3ccco3)C2)n1 225391484 ADYDERHHVQNDKK-IHVVCDCBSA-N 315.329 1.771 0 40 DDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCN1CCOCC1 40498710 HWHQRBBUURZOQF-UHFFFAOYSA-N 319.380 1.606 0 40 DDAB COCCNC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40529577 XCGYVYHXLXHZIQ-UHFFFAOYSA-N 324.377 1.787 0 40 DDAB CN(C)[C@@H](CNC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 40555021 KSBHJHNODVAFNF-KBPBESRZSA-N 319.405 1.466 0 40 DDAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@H]3C(N)=O)c2c1 20762860 FVMFBAMSHUAQOC-UONOGXRCSA-N 301.346 1.552 0 40 DDAB biogenic CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1 32841697 OYVWNPMHLRFIFU-UHFFFAOYSA-N 321.358 1.290 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 32958209 GRKRYBHEQFAYMY-RYUDHWBXSA-N 320.389 1.962 0 40 DDAB CC[C@@H](C)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 32915280 YOTRNBBPWFJDEP-GFCCVEGCSA-N 310.419 1.541 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1-c1ccccc1 32904811 PILCSFLMHAZCJE-UHFFFAOYSA-N 321.336 1.842 0 40 DDAB COC(=O)CN(CC(=O)NC(C)C)Cc1ccc(Cl)cc1 52864153 JQURQIHYEXCPBK-UHFFFAOYSA-N 312.797 1.840 0 40 DDAB NS(=O)(=O)c1cccnc1N1CC[C@H](Cc2ccccc2)C1 84525725 QPCSUAXYPAKKCK-CQSZACIVSA-N 317.414 1.798 0 40 DDAB O=C([C@H]1SCCc2ccccc21)N1CCN(CCO)CC1 84582059 RHVJAICXKZWOLI-HNNXBMFYSA-N 306.431 1.154 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CCSCC1 104102391 HTLQIHBFIQAWEU-STQMWFEESA-N 324.446 1.564 0 40 DDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1nccn1CC 78898694 KNYNVTBZUMBJRD-OLZOCXBDSA-N 314.455 1.053 0 40 DDAB O=c1c2cccc3[nH]cc(cnn1CN1CCSCC1)c32 79192811 NHJVCQGKVIXORU-UHFFFAOYSA-N 300.387 1.884 0 40 DDAB biogenic CCCCC1(CCN(C)Br)C(=O)NC(=O)NC1=O 1752217 KSSODKISYWDBRI-UHFFFAOYSA-N 320.187 1.161 0 40 DDAB Cc1cc(C)nc(N2CCC(C(=O)N=c3[nH]cc[nH]3)CC2)n1 79491184 SORQUVGPFUTOEB-UHFFFAOYSA-N 300.366 1.094 0 40 DDAB O=C(CS(=O)(=O)C1CCCC1)N1CCc2ccc(O)cc2C1 79998388 IZUBSQLJMXPICD-UHFFFAOYSA-N 323.414 1.634 0 40 DDAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCC1 23105562 VHOIYYPIXPNYTK-UHFFFAOYSA-N 322.166 1.335 0 40 DDAB O=C(CN1CCSC1=O)NCc1nncn1-c1ccccc1 42496027 VQODESYRGZOZEX-UHFFFAOYSA-N 317.374 1.052 0 40 DDAB CS(=O)(=O)Nc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 4001771 HAPOXFOZROTSSN-MISXGVKJSA-N 308.403 1.977 0 40 DDAB CN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)OCCO2 42678427 JLJLFEQQQSUHEM-UHFFFAOYSA-N 320.370 1.674 0 40 DDAB COCCn1c(SCC(=O)N2CCCC2)nc2cccnc21 4853714 PDVIVKBUHPUSBR-UHFFFAOYSA-N 320.418 1.792 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCN(c2nccs2)CC1 54621248 YQJXNTYFANMAQH-CYBMUJFWSA-N 308.451 1.666 0 40 DDAB CCOc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 6964139 ULSUWVVHKUWMGD-XFFZJAGNSA-N 303.318 1.586 0 40 DDAB CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(C)c(F)c1 84791163 MFHCFHPSFPZPIN-JTQLQIEISA-N 303.355 1.612 0 40 DDAB Cc1cc(NC(=O)NCCCN2CCCCCC2=O)n(C)n1 43434918 FSDFHTCANMEKRF-UHFFFAOYSA-N 307.398 1.643 0 40 DDAB COc1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)cn1 43505953 RMWOSIFLBPBTMM-UHFFFAOYSA-N 303.362 1.221 0 40 DDAB CC(C)Cc1noc(CSCc2nc(N)nc(N(C)C)n2)n1 56230060 DMOONTBNCMUVDC-UHFFFAOYSA-N 323.426 1.535 0 40 DDAB OC[C@H]1C[C@@H](O)CN1c1ncnc2sc3c(c12)CCCC3 95446161 FWTHTLOUCNKZPA-NXEZZACHSA-N 305.403 1.502 0 40 DDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H](C)Cn2cccn2)n1 48235184 DDLSLPGXJDELLB-OCCSQVGLSA-N 318.425 1.720 0 40 DDAB CC1(C)CN(C(=O)CCc2nc(-c3ccco3)no2)CCO1 27642725 RXQLHEXYLJKYQO-UHFFFAOYSA-N 305.334 1.900 0 40 DDAB C[C@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)C[C@H](C)O1 10237676 QDEQMAAVDGNHNI-STQMWFEESA-N 323.418 1.475 0 40 DDAB O=C1C[C@H](C(=O)N[C@H]2CCN3CCCC[C@H]23)c2ccccc2N1 44942068 YYSVLANMMUDCEH-CWRNSKLLSA-N 313.401 1.855 0 40 DDAB CC(C)N1C[C@@H](C(=O)Nc2ccc(-n3cccn3)nc2)CC1=O 44911918 UWRSEWFFVGAFSZ-LBPRGKRZSA-N 313.361 1.463 0 40 DDAB C[C@@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)S(C)(=O)=O 58377786 ASUOANSBBBHIJF-JTQLQIEISA-N 321.358 1.641 0 40 DDAB C[C@H]1CN(C(=O)CCn2cnc3sccc3c2=O)CCO1 10670719 NYEPLPRDBRPFMT-JTQLQIEISA-N 307.375 1.095 0 40 DDAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 48325577 ZNPFDIJYSSROMC-CABCVRRESA-N 306.406 1.440 0 40 DDAB O=C(Nc1ccc(F)cc1NC1CC1)[C@H]1CCS(=O)(=O)C1 89769670 JSQXNUQMORRBSH-VIFPVBQESA-N 312.366 1.773 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H](C)O1 11560760 NYSLAIBPWBLTPS-GHMZBOCLSA-N 312.391 1.308 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccc2nc(C)c(C)nc2c1 45950963 VJNHIUIDOHORLD-UHFFFAOYSA-N 301.346 1.928 0 40 DDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)CCC2=O)c(C)c1 12855982 IHQJHJQPCPOYGM-UHFFFAOYSA-N 318.329 1.259 0 40 DDAB O=C(c1ccc(O)c(Cl)c1)N1CCN(c2ncccn2)CC1 12922050 MLDQJRCMPGSEJJ-UHFFFAOYSA-N 318.764 1.798 0 40 DDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCCCC1 38827695 KKGXCULCFFKEAV-UHFFFAOYSA-N 301.346 1.906 0 40 DDAB CC[C@@H](C(=O)Nc1ccccn1)n1c(=O)[nH]c2ccccc2c1=O 9187611 WDQDFAWTXSMDFS-ZDUSSCGKSA-N 324.340 1.675 0 40 DDAB COC(C)(C)CNC(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1 95436943 IHSNASAKYJCWRY-LLVKDONJSA-N 320.311 1.862 0 40 DDAB CC(C)N1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 65439375 SIMMEKOQDGTWIT-UHFFFAOYSA-N 324.450 1.202 0 40 DDAB CCOC(=O)[C@H](C)Sc1nncn1CCc1ccccn1 65493622 MKYWLFHMWJMAMY-NSHDSACASA-N 306.391 1.960 0 40 DDAB C[C@@H]1CCCN(C(=O)c2ccccc2CN2C(=O)CNC2=O)C1 14064250 HHNNTLJDDPRHSY-GFCCVEGCSA-N 315.373 1.611 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccccc1OC 14000438 NYNVKFQJJYOTKZ-DOMZBBRYSA-N 307.346 1.706 0 40 DDAB CCNC(=O)CN(CC)C(=O)Nc1ccsc1C(=O)OC 65592524 UXCHAYFCXGFBJN-UHFFFAOYSA-N 313.379 1.525 0 40 DDAB COC(=O)[C@@H](NC(=O)NCc1ccc(OC)c(OC)c1)C(C)C 5351711 YMTFBLYDJIHFEB-AWEZNQCLSA-N 324.377 1.701 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCC(=O)N1 172383649 NFNIZQBCLLEPDE-BHYNMZESSA-N 310.781 1.811 0 40 DDAB CCCCCn1cnnc1S[C@H](C(=O)NC(N)=O)C(C)C 6851380 RIVYPBPQGCYAOW-JTQLQIEISA-N 313.427 1.780 0 40 DDAB Cn1cc(N2CC[C@@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)cn1 90017566 NCHBPQZEKUAUSR-OLZOCXBDSA-N 306.410 1.461 0 40 DDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 89890966 YJAMTGZRSJLGLQ-QMMMGPOBSA-N 312.347 1.271 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCc3c(ncn3C3CC3)C2)CC1 71877066 PGMSTBSVYYFGHF-MRXNPFEDSA-N 318.465 1.669 0 40 DDAB COc1cccc(COCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 71829550 JJVHULZGVKYLGM-TZMCWYRMSA-N 320.389 1.324 0 40 DDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccccc1 16409354 LDEHFPJWCPDTME-LBPRGKRZSA-N 319.390 1.583 0 40 DDAB CN1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)Cc2ccccc21 68858277 UDYVKXIRHPBHER-UHFFFAOYSA-N 323.396 1.956 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 83829930 HXQCCSSPZCJVCP-LBPRGKRZSA-N 320.418 1.880 0 40 DDAB COc1ccc(Cl)cc1CN(C)[C@@H]1CCS(=O)(=O)C1 69150608 KELYRVRIBMYYSA-GFCCVEGCSA-N 303.811 1.968 0 40 DDAB CCC(=O)N1CSC[C@H]1C(=O)OCc1ccc2c(c1)OCO2 71920420 GPQVCCYNAOANMO-NSHDSACASA-N 323.370 1.770 0 40 DDAB CCC(CC)(CO)NCc1nnnn1-c1cc(C)ccc1F 71912106 QIWAUELMZGDWLB-UHFFFAOYSA-N 307.373 1.751 0 40 DDAB COC(=O)c1ccc(COC(=O)CNC(=O)C2CCCCC2)o1 8231881 RAJYCINUIRGCGA-UHFFFAOYSA-N 323.345 1.806 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(-c2cccs2)[nH]c1=O 89938463 GIJKABPSRSWYFN-LLVKDONJSA-N 317.414 1.880 0 40 DDAB CCN1CCO[C@@H](CNCc2cnc(N(CC)CC)s2)C1 70040063 WZNSCIKFEYOZQV-ZDUSSCGKSA-N 312.483 1.800 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](C)N2CCC(C(N)=O)CC2)cc1 8318022 AVZCZGZRZXYIJH-CYBMUJFWSA-N 303.406 1.197 0 40 DDAB CCOCCN1CCN(Cc2nc(-c3cccs3)no2)CC1 69421380 RZPVNSMPKQTGII-UHFFFAOYSA-N 322.434 1.952 0 40 DDAB CCCN(Cc1nc(O)n[nH]1)C[C@@H]1COc2ccccc2O1 91538356 RRBSKSHXRHCPTQ-LLVKDONJSA-N 304.350 1.562 0 40 DDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCCc1cccs1 69597927 KRNHUICRLLXQCW-ZDUSSCGKSA-N 319.434 1.163 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)NCCc2ccsc2)c1 69592300 XWIHWMJMXFJNAU-ZDUSSCGKSA-N 306.435 1.590 0 40 DDAB Cn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C/C(=O)C(C)(C)C 96803973 CZEWPSQJTLOHDT-AYMWWVTDSA-N 319.401 1.810 0 40 DDAB CCN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O 95961660 ABSQCXNAFHRBHW-ABAIWWIYSA-N 306.366 1.217 0 40 DDAB COc1ncccc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 95957976 WEYQJTQPGBUSGY-LLVKDONJSA-N 315.377 1.550 0 40 DDAB Cc1cc(N2CC[C@H](N(C)CCc3ccncc3)C2=O)n(C)n1 97051106 CUTDWMVYBWUHPJ-HNNXBMFYSA-N 313.405 1.403 0 40 DDAB Cc1nc2ncnn2c(NCc2nnc(C(C)C)n2C)c1C 97049871 KPRCHOUOLVSQKG-UHFFFAOYSA-N 300.370 1.605 0 40 DDAB CN(C)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccn1 72234880 PXRVCSXTIDOUCD-CYBMUJFWSA-N 300.366 1.216 0 40 DDAB C[C@@H]1COCCN1CCNC(=O)CCCOc1cccc(F)c1 72273947 NQGPOWSPYIGWPS-CQSZACIVSA-N 324.396 1.822 0 40 DDAB Cc1cc(NC(=O)CN2CCc3cnc(C(C)C)nc3C2)on1 72268537 RWHNRHFWFBVMPM-UHFFFAOYSA-N 315.377 1.893 0 40 DDAB CC(C)CC1(CNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 95964952 CRRHLXLSYMWASD-LBPRGKRZSA-N 302.440 1.689 0 40 DDAB O=C(C[C@@H](CN1CCCCC1)C(=O)O)Nc1ccc(O)cc1 72405362 RNGDTKGDCYZVSA-LBPRGKRZSA-N 306.362 1.908 0 40 DDAB CCOC(=O)c1cc(NC(=O)NCCCN2CCCC2)cn1C 89984842 YVTGUSGHSRROPA-UHFFFAOYSA-N 322.409 1.809 0 40 DDAB CCn1c(C)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 75607274 XXHDGJBFPCOFIO-UHFFFAOYSA-N 313.383 1.162 0 40 DDAB CCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 75091933 PFEZDLLSPFFEME-CQSZACIVSA-N 310.419 1.621 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1C[C@H]1c1ccco1 515520813 CGAJSYKSVDYTNR-DDHJBXDOSA-N 312.391 1.353 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C)CCC[C@H]1C 73972579 JKDFTIQNMVDZBP-QWHCGFSZSA-N 304.456 1.695 0 40 DDAB CNC[C@H]1CCCC[C@]1(O)c1cccc(OS(=O)(=O)O)c1 77291477 UQBQONCZEGSVIZ-OCCSQVGLSA-N 315.391 1.465 0 40 DDAB in-vitro O=C(/C=C/c1ccsc1)NC[C@@]1(OCCO)CCSC1 1565523700 ULVUXTRHOJKBOO-YUKKFKLSSA-N 313.444 1.762 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2cncnc2)cc1 73252152 SBDZKDFSRKHFLM-IUODEOHRSA-N 324.384 1.799 0 40 DDAB Cc1onc(C2CC2)c1C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 560457548 IXXUCAPIBRAKAO-PHIMTYICSA-N 307.394 1.388 0 40 DDAB O=C(O)c1cn([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1 568398394 XAAROMJOGXAYNQ-RYUDHWBXSA-N 304.350 1.496 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(CCc2ccccc2)CC1 374820051 BIPDIDCGKZTWHL-UHFFFAOYSA-N 308.447 1.729 0 40 DDAB O=C(NCC1CCOCC1)c1cccc(C2CCNCC2)n1 72365709 PLVZNSTVMDOQDY-UHFFFAOYSA-N 303.406 1.705 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(N)COC 218511630 ILLLMTZITQXMCB-UPJWGTAASA-N 303.811 1.584 0 40 DDAB O=C(c1ccc2ncsc2c1)N1CC[C@H](N2CCOC2=O)C1 606440823 UEMUXCAKIAIJMJ-NSHDSACASA-N 317.370 1.963 0 40 DDAB C[C@]1(C(=O)NC2CCSCC2)Oc2ccccc2NC1=O 40776482 DYELFXCDZIXSTL-OAHLLOKOSA-N 306.387 1.788 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cccc(Br)n2)C1 72343924 SWSYGNXWXYJDEF-VIFPVBQESA-N 319.224 1.983 0 40 DDAB CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)n2nnnc2N1 45895994 SPDJRCKJUAPHBK-ZDUSSCGKSA-N 315.333 1.534 0 40 DDAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCN1CCOCC1 222990942 XBTYLQHBBILXRL-KRWDZBQOSA-N 320.433 1.909 0 40 DDAB CCn1cc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cn1 81674762 FHMOWOXXJWAYKC-LBPRGKRZSA-N 302.382 1.733 0 40 DDAB O=C(NC[C@]1(O)CCOC1)Nc1ccc(C(F)(F)F)cc1 178942389 HFYGGJBVTZZNJT-GFCCVEGCSA-N 304.268 1.978 0 40 DDAB CC(C)(C)[C@H](Cn1cccn1)Nc1ncnc2c1NC(=O)CN2 41121440 FPZYRRPGMAMPND-JTQLQIEISA-N 315.381 1.564 0 40 DDAB Cc1nc(CN(C)S(=O)(=O)c2ccccc2)ncc1C(=O)O 49468461 JWBRVDYHDLPKHH-UHFFFAOYSA-N 321.358 1.304 0 40 DDAB CC(C)S(=O)(=O)NC1=NCN([C@H]2CCCC[C@@H]2C)CN1 40387315 FOYZJORBDLKDIG-RYUDHWBXSA-N 302.444 1.069 0 40 DDAB O=C1NCCC[C@H]1NC(=O)N1CCOc2ccc(Cl)cc21 95409257 QZUXVGVAXGYHKP-SNVBAGLBSA-N 309.753 1.527 0 40 DDAB C[C@@H](c1ccccn1)N1CCN(C(=O)Cc2cnn(C)c2)CC1 97378944 XGJARUZKCNOBSE-AWEZNQCLSA-N 313.405 1.263 0 40 DDAB NS(=O)(=O)CCN1CCC[C@@H]1[C@H]1CCCc2ccccc21 95407313 YFYJZNJCXFUCKB-JKSUJKDBSA-N 308.447 1.859 0 40 DDAB C[C@@H](O)C[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1Cl 96487122 QATQOZPSOJOGOP-NEPJUHHUSA-N 324.808 1.832 0 40 DDAB Cc1cc(-c2nn3c(-c4cc(C)nn4C)nnc3s2)on1 95474294 ZJRHEQITPSBCMM-UHFFFAOYSA-N 301.335 1.858 0 40 DDAB CCN1CCOC[C@@]2(CCCN(C(=O)C3CCOCC3)C2)C1 96076830 AQYUEDODGQTTIH-KRWDZBQOSA-N 310.438 1.374 0 40 DDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)n1 96110039 PQXVOFQKCNTSTC-CZUORRHYSA-N 300.362 1.481 0 40 DDAB CCN1CCN(C)C2(CCN(Cc3ccc(C)o3)CC2)C1=O 96050041 BYBVWPIXYSYWGZ-UHFFFAOYSA-N 305.422 1.717 0 40 DDAB Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccccc2)n1 97373626 RZNRGPTYDNBLPZ-ZDUSSCGKSA-N 302.334 1.390 0 40 DDAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96216253 KQAWUBJXZLJBQT-CRAIPNDOSA-N 320.408 1.795 0 40 DDAB Cn1nnnc1COc1ccc(CC(=O)Nc2ccccc2)cc1 96192471 PCXQEOBTVWIGFD-UHFFFAOYSA-N 323.356 1.970 0 40 DDAB CN(C)C(=O)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96062492 XNLZVZHXYLXKSC-INIZCTEOSA-N 304.394 1.292 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1cnn(C)c1 96200904 OKZPINLZFIWDKQ-CABCVRRESA-N 302.378 1.401 0 40 DDAB O=S(=O)(NCCN[C@@H]1CCCSC1)c1ccccc1 97371024 UIXGYSNMKCIFIX-GFCCVEGCSA-N 300.449 1.450 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257295336 QXXSCRPHMSUVIO-MRXNPFEDSA-N 312.373 1.713 0 40 DDAB CN(C)c1nccnc1[C@H]1CN(Cc2nccs2)CCO1 257218557 DDODNPDMYOGBJO-LLVKDONJSA-N 305.407 1.573 0 40 DDAB Cc1nnc2n1CCN(C(=O)COc1ccc3c(c1)CCC3)C2 69779215 JCBCXRDFDLPUBY-UHFFFAOYSA-N 312.373 1.496 0 40 DDAB CC(C)n1ccc(=O)nc1SCC(=O)NCC(F)(F)F 69775973 VMKIOUAHQALNEK-UHFFFAOYSA-N 309.313 1.595 0 40 DDAB C[C@@]1(COc2ccc(C(=O)O)cc2)Cc2c(N)nc(N)nc2O1 257303985 SJPHMSFYOQGXBN-HNNXBMFYSA-N 316.317 1.112 0 40 DDAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN(C2CCOCC2)C1 257228526 FUEQYIDNBIFQBE-MRXNPFEDSA-N 317.433 1.085 0 40 DDAB Cn1nccc1-c1ncccc1C[C@H]1CCN(S(C)(=O)=O)C1 257238909 HNBVZUCGQMJVSU-GFCCVEGCSA-N 320.418 1.306 0 40 DDAB CO[C@@H](CNC(=O)C(=O)NCc1ccco1)c1cccc(F)c1 96388629 LFJFMJFUKJWNHC-AWEZNQCLSA-N 320.320 1.539 0 40 DDAB O=C(Cc1cccs1)NCCn1nc(C2CC2)ccc1=O 575608734 OUHBFZFFCZMTDL-UHFFFAOYSA-N 303.387 1.541 0 40 DDAB O[C@@H]1[C@H](O)COC[C@H]1CNCc1cccc(OC2CCCC2)c1 585286066 ISHYFRKUMAWUMX-OLMNPRSZSA-N 321.417 1.466 0 40 DDAB C[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCO1 27891284 VMLABGVWSZAGPH-ABAIWWIYSA-N 318.373 1.634 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(CCOCC(F)(F)F)CCO2)n1 72253514 UPNXBEVGOVBKTF-GFCCVEGCSA-N 322.331 1.175 0 40 DDAB Cc1cc(OC[C@H]2CCCN(C(=O)N3CCOCC3)C2)ccn1 1776001063 XSCHTCYXZHJZQB-HNNXBMFYSA-N 319.405 1.933 0 40 DDAB COC(=O)CCCCCNC(=O)NCc1ccc(OC)nc1 45564237 OPGKHGLDUCEHRK-UHFFFAOYSA-N 309.366 1.623 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1nc(N2CCCC2)ncc1Cl 89938301 VMDQJMRRDGZDRR-NSHDSACASA-N 323.828 1.506 0 40 DDAB Cc1ccc(N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)nn1 585234261 BRSXGFQTDPOUJY-KGLIPLIRSA-N 304.394 1.297 0 40 DDAB O=C([C@H]1CSCN1)N1CCN(c2cccc(Cl)c2)CC1 20012410 KGIXVGTYZGSUKA-CYBMUJFWSA-N 311.838 1.651 0 40 DDAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1cccnc1N 19712345 NQXWCAKZYHLYJV-CABCVRRESA-N 316.405 1.669 0 40 DDAB Cc1nccn1CC1CN(c2ncc(Br)cn2)C1 1889081525 SPHNCRFAMHUNTR-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB Cc1ccn(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1 19238137 KLUWUYKHHMOVHK-UHFFFAOYSA-N 312.373 1.748 0 40 DDAB COc1ccc(CN2CCc3c(O)nc(C)nc3C2)cc1O 19576593 DISXXXRVWWJAPG-UHFFFAOYSA-N 301.346 1.763 0 40 DDAB CCN1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)CC1 6600367 MKDWQZFSAYGTTL-VMPITWQZSA-N 324.402 1.111 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 12805295 GIVGCAGNGHRDIZ-OAHLLOKOSA-N 324.446 1.480 0 40 DDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)n1 1888843173 USTVKEFWVPRNMH-STQMWFEESA-N 313.361 1.290 0 40 DDAB O=S(=O)(NC1CCN(c2ccnc(C3CC3)n2)CC1)C1CC1 1888866605 FTZMMEILMMVYLE-UHFFFAOYSA-N 322.434 1.405 0 40 DDAB O=S(=O)(N[C@H]1CCCN(c2cc(C3CC3)ncn2)C1)C1CC1 1889104486 RSYSJBNIOKSHSK-LBPRGKRZSA-N 322.434 1.405 0 40 DDAB COc1cc(OC)nc(N2CC[C@H](Oc3ccncc3C)C2)n1 1889114263 PJMPVBZAPKHMGB-LBPRGKRZSA-N 316.361 1.855 0 40 DDAB NC(=O)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 15498413 COQZVDDIHCVXBD-UHFFFAOYSA-N 308.297 1.274 0 40 DDAB CN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl 36300052 XXJBEDGUQLJDGO-UHFFFAOYSA-N 306.790 1.852 0 40 DDAB CCO[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1Cc1ccccc1 1565551419 FEHCJZQTPGJIRI-GJZGRUSLSA-N 314.389 1.677 0 40 DDAB COc1ncnc2c1CCN(C(=O)c1csc(C)n1)CC2 1565543014 ZANZWFSYNJVPTK-UHFFFAOYSA-N 304.375 1.491 0 40 DDAB O=C(O)CCCn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 4628890 RFELLIKIQUAMGA-UHFFFAOYSA-N 317.301 1.729 0 40 DDAB Cc1cc(N2CCN(c3ncncc3C)CC2)n2nc(C)cc2n1 1775974163 XNVWDCXLVXOXFO-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@H](c1ccco1)n1cccn1 575614199 PFRFYKKKSYBTJJ-LBPRGKRZSA-N 315.333 1.238 0 40 DDAB Cn1c(SCC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 20031288 SDRNNWMQIYJNCF-UHFFFAOYSA-N 324.789 1.712 0 40 DDAB CC(=O)Nc1nc(C(=O)NCc2cccnc2N(C)C)cs1 32690290 JZFHIXRGAJBQDB-UHFFFAOYSA-N 319.390 1.493 0 40 DDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F 53699800 XRWMYHIKMUJFKH-NSHDSACASA-N 319.329 1.681 0 40 DDAB CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 151772 HFVAUHYWSDUTGM-UHFFFAOYSA-N 323.462 1.613 0 40 DDAB Cc1nn(CC(=O)N2CCn3c(C)nnc3C2)c(C)c1Cl 71185512 LSOVJKBVWWBUQQ-UHFFFAOYSA-N 308.773 1.096 0 40 DDAB NC(=O)c1cccc(NC(=O)c2cccc(-n3cccn3)c2)n1 78875394 XMQSLGBHEWYBLU-UHFFFAOYSA-N 307.313 1.619 0 40 DDAB COc1cccc([C@H](C)N2CCC[C@H](NS(C)(=O)=O)C2)c1 78971019 AEBHLHGIOSNDKQ-JSGCOSHPSA-N 312.435 1.770 0 40 DDAB NS(=O)(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 79269569 ZDSBTOIZXGHAJH-CYBMUJFWSA-N 305.359 1.160 0 40 DDAB CCCNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 23248686 TWRQBLUDCBUPSP-UHFFFAOYSA-N 319.405 1.059 0 40 DDAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1c[nH]c(=O)c(Cl)c1 54548107 ONKRGJCIIVTIFH-GFCCVEGCSA-N 319.748 1.524 0 40 DDAB COCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)NC(=S)N1 6046937 SWILPJVTJNFWHK-CYBMUJFWSA-N 322.386 1.288 0 40 DDAB O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1 24595581 YCNJIEMATHKGJD-UHFFFAOYSA-N 301.390 1.569 0 40 DDAB O=C(Nc1ncccc1O)c1c(O)n2c3c(cccc3c1=O)CC2 1245737 VVLRBYHBQDFTNW-UHFFFAOYSA-N 323.308 1.616 0 40 DDAB C[S@](=O)c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 24997592 AOPKQWDQQZARIF-OAQYLSRUSA-N 309.387 1.403 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CCO1 25833047 YWRDKDHHMHPWPU-CQSZACIVSA-N 319.405 1.182 0 40 DDAB CS(=O)(=O)c1ccccc1NC(=O)NCc1cccnc1 43929652 QNNNRHARRIRNFS-UHFFFAOYSA-N 305.359 1.807 0 40 DDAB COc1ccccc1[C@H](CNC(=O)Cn1cccn1)N(C)C 48250937 OOXXQZSAVHFYJT-AWEZNQCLSA-N 302.378 1.311 0 40 DDAB COCCn1cc(NC(=O)NCCN2C[C@@H](C)C[C@H](C)C2)cn1 48251821 OOGZONBEFOAHBZ-KBPBESRZSA-N 323.441 1.629 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100634635 OIMVXRBBDDKOPR-OZTPJHRESA-N 305.355 1.203 0 40 DDAB COc1ccc(OC)c(CNC(=O)N[C@H](C)Cn2ccnc2)c1 48287177 XGOLQXMUWCWNJP-GFCCVEGCSA-N 318.377 1.788 0 40 DDAB COc1cccc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 108531421 FLZIGGFPJGPBJU-IRXDYDNUSA-N 317.433 1.775 0 40 DDAB C[C@H](C(=O)Nc1nccs1)n1nnc2ccccc2c1=O 44450476 MWMRWWVHCUYLIY-MRVPVSSYSA-N 301.331 1.448 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 100824920 YLVNQBPUQHVOGL-IOQCUFBNSA-N 317.728 1.624 0 40 DDAB Cc1ccc(OC[C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1 58210164 CKBLTCULKIIKFO-CYBMUJFWSA-N 319.405 1.669 0 40 DDAB O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NCC1CC1 44948262 DINHPVMPIYVZAA-UHFFFAOYSA-N 322.308 1.400 0 40 DDAB Cc1ccc([C@H](C)NC(=O)NCCCN(C)S(C)(=O)=O)o1 44951296 DRODWEZSUPLQLH-NSHDSACASA-N 317.411 1.230 0 40 DDAB CC1(C)C(=O)N(CCC(=O)NC[C@H]2CCCO2)c2ccccc21 57355665 UTDBRHPIFRSSCP-CYBMUJFWSA-N 316.401 1.996 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1ccccn1 58392561 DDGSUWYWKWCGMJ-CQSZACIVSA-N 315.421 1.811 0 40 DDAB CCOC(=O)C1CCN([C@H](C)C(=O)Nc2ncccn2)CC1 58306421 ZYCAQFGOAABKSU-LLVKDONJSA-N 306.366 1.079 0 40 DDAB O[C@@H](Cn1nnc(-c2cccnc2)n1)c1cc(F)ccc1F 58313545 OTZUEGPCFSKUHW-ZDUSSCGKSA-N 303.272 1.747 0 40 DDAB COC(=O)CNC(=O)c1ccc(OC2CCCC2)c(OC)c1 48323757 ZAOHWPMSIZXAFQ-UHFFFAOYSA-N 307.346 1.919 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C)c(F)c1 48367256 UWGPCEKSXPIMPJ-UHFFFAOYSA-N 302.371 1.410 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 28833343 HVUZCEJKFYJMSU-ZBFHGGJFSA-N 315.417 1.103 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1 3402322 BRUUIFWRSBVUBD-UHFFFAOYSA-N 312.753 1.660 0 40 DDAB O=C(CN1CCO[C@H](c2ccccc2)C1)NCc1ccco1 29532486 JWBDOZCKKFIZAR-INIZCTEOSA-N 300.358 1.969 0 40 DDAB CCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941104 NMDAXGBWVLRRJW-VIFPVBQESA-N 304.799 1.631 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2ccsc2)CC1=O 46914355 JPVDGFONOILYPV-UONOGXRCSA-N 322.430 1.907 0 40 DDAB NC(=O)c1ccc(CNC(=O)c2cc(Br)c[nH]2)o1 82975653 PTJZHOMJSHFREX-UHFFFAOYSA-N 312.123 1.399 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 3904559 BFHNTYNTVBDTCC-HMEQZMJYSA-N 312.369 1.965 0 40 DDAB Cc1cccc(CNC(=O)Cn2cnc(-c3ccccn3)n2)c1 97230154 QGDPGTVLWHISDV-UHFFFAOYSA-N 307.357 1.965 0 40 DDAB Cn1c(C2CC2)nc2c1CCN([C@H](C(N)=O)c1ccccc1)C2 84310759 VEEATYCABDCNQQ-INIZCTEOSA-N 310.401 1.882 0 40 DDAB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc(F)c(Cl)c1 13691973 XJSRFOOVQNRULE-SECBINFHSA-N 309.688 1.593 0 40 DDAB O=C(C[C@@H](CN1CCCCC1)C(=O)O)Nc1ccccc1O 72404239 VOCNDCIHHOGNFX-LBPRGKRZSA-N 306.362 1.908 0 40 DDAB CN(C)CCNS(=O)(=O)c1ccccc1Br 6085926 YGWKKWYIQWQZRV-UHFFFAOYSA-N 307.213 1.289 0 40 DDAB CCOC(=O)/C=C/C(=O)OCc1nnc(-c2ccccc2)o1 6011462 FQDUYAOJUDFCMK-CMDGGOBGSA-N 302.286 1.899 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 4206809 MPMKKDOZHAINKD-UHFFFAOYSA-N 305.302 1.450 0 40 DDAB Cc1cccc(C)c1-n1nnnc1CN1CCOC(C)(C)C1 65494874 MZIDBUWSAVBSOC-UHFFFAOYSA-N 301.394 1.890 0 40 DDAB COc1c(CNC[C@H](O)c2ccc(F)cc2F)c(C)nn1C 65595070 NSBZNTQURWBASH-AWEZNQCLSA-N 311.332 1.839 0 40 DDAB CCc1nn2c(=O)cc(CSc3nncn3C)nc2s1 5322092 FVNKQSVVJKAVDV-UHFFFAOYSA-N 308.392 1.134 0 40 DDAB C[C@@H]1CN([C@H](C)C(=O)NC(=O)NCc2ccccc2)C[C@@H](C)O1 14160714 XVPOLABAXGWXDG-MGPQQGTHSA-N 319.405 1.510 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCCc3occc32)c1C 95394725 BUCDETZMSAOWCF-GFCCVEGCSA-N 301.346 1.798 0 40 DDAB CCCNC(=O)NCc1nc(-c2ccc(OC)c(OC)c2)no1 4512799 VLXJOCMSYYWXMA-UHFFFAOYSA-N 320.349 1.963 0 40 DDAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CC1 14244342 JBHCMZTXBFXXTL-UHFFFAOYSA-N 303.337 1.824 0 40 DDAB CCC(C)(C)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 66081468 NIZWLEBUCAADNC-UHFFFAOYSA-N 314.389 1.954 0 40 DDAB CCC[C@@H](C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 4680968 MKUMUILWDIEURU-LLVKDONJSA-N 316.398 1.897 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(F)cc1Cl 6627784 BPWCUJZSWZLLIY-UHFFFAOYSA-N 301.734 1.733 0 40 DDAB Cc1ccc(CN(C)[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15565677 NVGPCXBGKLBYEU-UKRRQHHQSA-N 324.446 1.119 0 40 DDAB NC(=O)C1(NC(=O)[C@@H]2SCCc3sccc32)CCCC1 80286647 ZWIWMARBINBESB-LLVKDONJSA-N 310.444 1.993 0 40 DDAB CCNC(=O)CN1CCN(c2ccc3ccc(F)cc3n2)CC1 96429153 JPYGHABJVFRKLO-UHFFFAOYSA-N 316.380 1.632 0 40 DDAB COC(=O)c1ccc(CN2CCN(c3ncccn3)CC2)o1 7445581 OQSNGVLEMSDZGC-UHFFFAOYSA-N 302.334 1.178 0 40 DDAB CC(C)n1c(N)nnc1S[C@H](C)C(=O)NCC(F)(F)F 96424115 XAIMXTURSVHLNO-ZCFIWIBFSA-N 311.333 1.600 0 40 DDAB CCc1nnc2n1CCN(C[C@@H](O)c1ccc(F)c(F)c1)C2 71871954 SFBAYQDOOWJODU-CYBMUJFWSA-N 308.332 1.668 0 40 DDAB Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1C 8025492 GCIFWVGTAJOTRN-CQSZACIVSA-N 301.390 1.231 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@H]2CN(C)CCN2C)c(C)c1 71897709 SQFBZNGPDRJZFS-INIZCTEOSA-N 318.465 1.657 0 40 DDAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)CN1CCC(C)CC1 71825110 RLJYSESKUYCGJS-HNNXBMFYSA-N 315.417 1.798 0 40 DDAB CN(CC(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Cl)cn1 71839729 LNRLYMDDEXGOTO-CQSZACIVSA-N 322.840 1.868 0 40 DDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(=O)[nH]c1 71890122 ONSFIKCGYBTXQF-LLVKDONJSA-N 321.377 1.456 0 40 DDAB CC[C@H]1CN(C(=O)CCc2cscn2)C[C@H]1N1CCOCC1 84735838 FBECSAGQXJNZNW-DZGCQCFKSA-N 323.462 1.645 0 40 DDAB COc1ccccc1CNC(=O)N1CCC(C2OCCO2)CC1 69232403 DBKAMSOVKWZVHE-UHFFFAOYSA-N 320.389 1.990 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1cc(C)n(-c2ccccc2)n1 71888289 OCBCSSGCGCHQKH-UHFFFAOYSA-N 324.344 1.563 0 40 DDAB CC(C)NC(=O)CN(C)C(=O)CCC(=O)c1ccc(F)cc1 8353455 XHGYZASRBULVJE-UHFFFAOYSA-N 308.353 1.772 0 40 DDAB C/C(=C\C(=O)N[C@H]1CCS(=O)(=O)C1)CCc1ccccc1 69456116 KMGKJFSEQLPECY-FQNOHDAGSA-N 307.415 1.869 0 40 DDAB Cc1ccc(O)c(CN[C@@H]2CCCN(Cc3noc(C)n3)C2)n1 69463019 LYTZYTTUOJELLG-CYBMUJFWSA-N 317.393 1.541 0 40 DDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC1 9668676 TVMRNRIWEYENLH-UHFFFAOYSA-N 308.403 1.672 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 8706446 PFGYKLKNMQGXDI-UHFFFAOYSA-N 302.334 1.477 0 40 DDAB CC[C@H](N)C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 97019062 OGGOHJGBOSGGKC-VIFPVBQESA-N 306.391 1.144 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ncc(C)o2)c(C)c1F 97084064 QOSFQVIJYMOQPM-UHFFFAOYSA-N 314.338 1.918 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2c2ncnc3c2cnn3C)c1 72276486 BDTFYBJUDSYHKU-CYBMUJFWSA-N 311.393 1.927 0 40 DDAB Cc1ccccc1C(C)(C)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 72290628 RGBMPIKBCSYZGS-KRWDZBQOSA-N 315.373 1.083 0 40 DDAB CCOc1cc(N2CCO[C@@H](Cn3cc(C)cn3)C2)ncn1 95945041 OQGRGCCYRYJZRC-CYBMUJFWSA-N 303.366 1.286 0 40 DDAB CC(=O)NC[C@H]1CCCN(Cn2c(=O)n(C)c3ccccc32)C1 95956234 CFZJHFPGEYBJHO-CQSZACIVSA-N 316.405 1.146 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCN(Cc2ccc(Cl)cc2)CC1 95950332 BYPYSQWZMXDZAT-LLVKDONJSA-N 324.812 1.041 0 40 DDAB CC(=O)Nc1nc(CN(CCO)Cc2cccnc2)cs1 89265657 SEJJAALMYJSQQU-UHFFFAOYSA-N 306.391 1.491 0 40 DDAB CCCNC(=O)Nc1ccc(CC(=O)NCCC(=O)O)cc1 89960198 GVXITHOYVIOAHY-UHFFFAOYSA-N 307.350 1.352 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 76045529 RZJMIBWTXXEBPU-GFCCVEGCSA-N 306.391 1.626 0 40 DDAB CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1ccon1 1548453536 QRQGYWCNWQTNGX-CHWSQXEVSA-N 319.365 1.563 0 40 DDAB Cc1cn2cc(NC(=O)C3CC4(C3)C[C@@H](N)CCO4)ccc2n1 1548552479 BXPPNHCCRCNTAE-JZLYGMAVSA-N 314.389 1.868 0 40 DDAB Cc1ncc(CN2CC[C@H](N=c3ccc4nccn4[nH]3)C2)s1 548350007 AYFPUEBZKVJDGK-LBPRGKRZSA-N 314.418 1.603 0 40 DDAB CC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 36383662 UBYLINOSUXHYAX-LLVKDONJSA-N 309.797 1.831 0 40 DDAB CCc1cccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)n1 514994039 BJGDTCHBWIMSDF-XPKDYRNWSA-N 317.389 1.200 0 40 DDAB COCc1nn(C)cc1C(=O)Nc1cn(C)nc1-c1ccco1 529839165 GMYQDWAALVYNNO-UHFFFAOYSA-N 315.333 1.812 0 40 DDAB CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 30769038 LLGXVYIDBJEJNB-MJBXVCDLSA-N 303.406 1.167 0 40 DDAB CNc1cc([C@H]2CN(C(=O)c3cscn3)CCO2)nc(C)n1 72387826 IASZPIXNRINUJO-GFCCVEGCSA-N 319.390 1.497 0 40 DDAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O 77938669 AWTWYUZPLQZMEG-RISCZKNCSA-N 308.353 1.740 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN(c2ccccn2)C1 79293229 XHXITOYUIWHVHE-QWHCGFSZSA-N 305.378 1.366 0 40 DDAB CCOCc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 72241243 JOQQXBNGCAFGKX-UHFFFAOYSA-N 312.435 1.549 0 40 DDAB Cn1nnc(-c2ccccc2NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)n1 71285075 DTXISFHMFABOBH-MNOVXSKESA-N 315.333 1.172 0 40 DDAB Cn1cc([C@H]2CCCN2Cc2nc3ccccc3c(=O)[nH]2)cn1 69628269 XQXSBJUAOXMROI-OAHLLOKOSA-N 309.373 1.994 0 40 DDAB COc1ccccc1OCc1cn(CC(=O)N2CCCC2)nn1 227160422 UUEDOVSOYRLSBK-UHFFFAOYSA-N 316.361 1.488 0 40 DDAB Cn1cc(C(=O)NC[C@](O)(c2ccco2)c2cccs2)nn1 225587902 SQWNGLNYRYLQAD-AWEZNQCLSA-N 318.358 1.136 0 40 DDAB CN(C)[C@@H](Cc1ccc(I)cc1)C(=O)O 225144406 FZFVMTOKAPVUKZ-JTQLQIEISA-N 319.142 1.849 0 40 DDAB COC(=O)CNC(=O)CCN(Cc1ccc(C)cc1)C1CC1 69776861 KLUVFXBXTIGELY-UHFFFAOYSA-N 304.390 1.639 0 40 DDAB COC(=O)c1ccc(N2C[C@H](C(=O)OC)CC2=O)c(Cl)c1 45953348 YATMKOXPORPFQR-SECBINFHSA-N 311.721 1.653 0 40 DDAB C[C@@H]1CCCN(c2ncnc3c2cnn3C2CCNCC2)C1 228920773 NUBSVEOLOFEHCB-GFCCVEGCSA-N 300.410 1.987 0 40 DDAB C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CN(C)S(C)(=O)=O 195530815 YAXLZVZHMIBCPJ-UMVBOHGHSA-N 324.446 1.671 0 40 DDAB CN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 96428239 ITOWFFUGIWZEKP-LLVKDONJSA-N 317.842 1.705 0 40 DDAB CN(C)CCNC(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 97236906 OTZHMESVPVQXBA-GDBMZVCRSA-N 318.421 1.067 0 40 DDAB CN(C)C(=O)CN1CCC[C@@]2(CCN(c3ccccn3)C2)C1 96071577 VDZBTPITBAFCCW-QGZVFWFLSA-N 302.422 1.462 0 40 DDAB O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCc2ccccc21 97236391 ZCAZJMDIMLYCLX-MLGOLLRUSA-N 313.401 1.984 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccco2)CC12CCOCC2 96052109 MASPVALSKAAAFV-ZDUSSCGKSA-N 320.389 1.673 0 40 DDAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@@]1(C)CCCN1 95466775 DAIXQEXYDOITSX-MRXNPFEDSA-N 315.377 1.996 0 40 DDAB C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C 96476480 UPEDWRVNIYWOFI-RYUDHWBXSA-N 314.426 1.977 0 40 DDAB COC(=O)CN1CCCN(Cc2ccc(O)c(Cl)c2)CC1 96489958 GOZYRCJWFKSWMD-UHFFFAOYSA-N 312.797 1.726 0 40 DDAB CCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O 96184138 LDOWVVAQPZXTGV-UHFFFAOYSA-N 301.346 1.445 0 40 DDAB COCC[C@@H]1CCOC12CCN(C(=O)c1ccn(C)n1)CC2 248092271 CKFRGMFVVZADSI-CYBMUJFWSA-N 307.394 1.468 0 40 DDAB O=C(CCc1cc(Cl)no1)N1CCO[C@@H](c2cnccn2)C1 257314649 UXXHARUZQOLAGX-GFCCVEGCSA-N 322.752 1.651 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2cccc(O)n2)C1 257225591 FGXKAFBXPPMZOD-GFCCVEGCSA-N 300.362 1.914 0 40 DDAB CC(=O)N1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1 257327092 WZWWEEIBOTYMKO-UHFFFAOYSA-N 304.350 1.234 0 40 DDAB COc1cc(OC)cc(C(=O)N(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c1 257275417 NPHVSVYFXSRKLP-RBSFLKMASA-N 309.362 1.314 0 40 DDAB Cc1cncc([C@@H]2CCCN2C(=O)CCCn2cncn2)n1 257294562 QURYOQTYQWNGGS-AWEZNQCLSA-N 300.366 1.520 0 40 DDAB O=C(NCc1cccs1)N1CCN(c2ncccn2)CC1 26519503 QWWKJYHOGJROJT-UHFFFAOYSA-N 303.391 1.570 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccccc1C 257211119 BXODSFVFANYEEY-GOSISDBHSA-N 324.384 1.663 0 40 DDAB CCCC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575406010 WPXHPQBFDXDXKA-AWEZNQCLSA-N 324.421 1.186 0 40 DDAB O=S(=O)(NCC[C@H]1CN(C2CCC2)Cc2ccnn21)C1CC1 585112170 KGOCKMDFYFCYCM-AWEZNQCLSA-N 324.450 1.264 0 40 DDAB Cc1cc(C)cc(OCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 40496988 ZZXAVZXRIAKYDH-CYBMUJFWSA-N 311.403 1.376 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cc(C)nn1C 75139301 UOVFAXRWSCNEOU-GFCCVEGCSA-N 307.398 1.593 0 40 DDAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H]1CCCNC1=O 75126695 CQZAWVHPONRWRJ-LBPRGKRZSA-N 318.333 1.043 0 40 DDAB C[C@H]1CCCN(c2cc(N3CCS(=O)(=O)[C@H](C)C3)ncn2)C1 97378411 SGBFJYRVGRBUAG-QWHCGFSZSA-N 324.450 1.336 0 40 DDAB NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1F 95963906 YYGDFYFPVPUOMR-ONGXEEELSA-N 300.355 1.148 0 40 DDAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)C1CC1 12290903 OTOHHRHJYPLPPH-UHFFFAOYSA-N 306.381 1.635 0 40 DDAB COc1cccc(-c2cc(CC(=O)N3CCOCC3)no2)c1 12865054 HQQPBYFQVSVNTJ-UHFFFAOYSA-N 302.330 1.752 0 40 DDAB CC(C)CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12899465 CYBBNQXNEPWKSN-UHFFFAOYSA-N 315.373 1.494 0 40 DDAB biogenic O=c1c2cnc(N3CCCCC3)nc2ccn1CCc1c[nH]cn1 13638591 UPCGFLJWRJJFJS-UHFFFAOYSA-N 324.388 1.748 0 40 DDAB O=c1cc2[nH]n(-c3ccccc3)c(=O)c2cn1Cc1cccnc1 15109403 DVFGJJJVHBDYOC-UHFFFAOYSA-N 318.336 1.924 0 40 DDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCC1 16249199 SAPCVVKTICWPIU-UHFFFAOYSA-N 313.404 1.285 0 40 DDAB CC(=O)N[C@@]12CN(CC3CCCCC3)CC[C@@H]1CN(C(C)=O)C2 19713653 FEJHBZWTSUPTCZ-QZTJIDSGSA-N 321.465 1.626 0 40 DDAB CCc1noc(CCC(=O)N2CC(C(=O)N3CCCCC3)C2)n1 19748685 FNEIKYJGSYJQIF-UHFFFAOYSA-N 320.393 1.036 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 169620959 RXLABSIVFJHQMK-GYSYKLTISA-N 306.387 1.745 0 40 DDAB O=C(NCC1CCN(c2cnccn2)CC1)NC[C@@H]1CCCO1 225555135 MZGNQGZMWKOBJF-AWEZNQCLSA-N 319.409 1.171 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 245053476 OWBSHEPYBQPSNP-ILXRZTDVSA-N 313.357 1.816 0 40 DDAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCNCC1 15043031 RPIJPUQZBWSOMG-UHFFFAOYSA-N 310.297 1.179 0 40 DDAB O=C(NCCn1ccc2ccoc2c1=O)NC[C@H]1CCCO1 253473422 UVTWPJYAAWDMAO-GFCCVEGCSA-N 305.334 1.073 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCCN([C@@H]2CCOC2)CC1 1848781297 FZORJEHXZBUOBB-CYBMUJFWSA-N 319.405 1.490 0 40 DDAB Cc1ncnc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CO3)c1C 1565551675 UMYFQVWRVCWCEV-AWEZNQCLSA-N 318.421 1.419 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)NCc3ccccn3)n2)cc1 94358 AXZFTUYKAVISEH-UHFFFAOYSA-N 308.345 1.360 0 40 DDAB O=C(CSc1nncc(O)n1)Nc1nc2ccccc2s1 4248968 YDYDZYMHFCSPPA-UHFFFAOYSA-N 319.371 1.918 0 40 DDAB CC1CCN(C(=O)[C@H]2C[C@H]3OCC[C@H]3N(C(=O)C3CC3)C2)CC1 2055747064 BYBFDZYOPHKOBL-ARFHVFGLSA-N 320.433 1.661 0 40 DDAB CN1CCN([C@H](c2cccs2)c2nnnn2C(C)(C)C)CC1 20052295 VROJWTBQUGXOIZ-CYBMUJFWSA-N 320.466 1.826 0 40 DDAB CCOC(=O)C1=C(C)NC(=S)N(C=O)[C@H]1c1ccccc1 100011915 XVXOSLFEAXZVPB-ZDUSSCGKSA-N 304.371 1.911 0 40 DDAB C[C@@H](NC(=O)CN1CCSCC1)c1ccc2c(c1)OCO2 40540641 OBAUNMYSTDXCOG-LLVKDONJSA-N 308.403 1.641 0 40 DDAB CN(Cc1ccco1)C(=O)[C@H]1CCCN(c2ncccn2)C1 32795066 PQKFDGKIEFINQH-ZDUSSCGKSA-N 300.362 1.945 0 40 DDAB Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1F 32796898 GEMRBTXQPVGESL-UHFFFAOYSA-N 314.382 1.242 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccn(C)n3)ccc21 32778144 MKURUVQZZYMYGG-UHFFFAOYSA-N 311.345 1.711 0 40 DDAB COCC(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C 32905120 NQEWQVVBWLOFDM-HNNXBMFYSA-N 319.361 1.289 0 40 DDAB C1CCN(c2nnc(SCc3nnnn3C3CC3)s2)C1 52913381 UVMBLSZORNGUCJ-UHFFFAOYSA-N 309.424 1.752 0 40 DDAB O=C(NCCc1cc(F)cc2c1OCOC2)c1cccc[n+]1[O-] 52901871 NAGNHHNHUAIFJU-UHFFFAOYSA-N 318.304 1.298 0 40 DDAB CN(C)C(=O)CN1C(=O)COc2cc(Br)ccc21 33224742 QBEGFKYFDRCCJN-UHFFFAOYSA-N 313.151 1.263 0 40 DDAB COc1ccc2[nH]cc([C@H](O)CN3CCC(C(N)=O)CC3)c2c1 541326 FJZUZOCUFLPYJD-MRXNPFEDSA-N 317.389 1.407 0 40 DDAB Cc1noc2ncc(C(=O)NCCCCN3CCOCC3)cc12 61609503 JAXSZIHYKVECRD-UHFFFAOYSA-N 318.377 1.373 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)n3ccnc3)CCO2)n1 78889394 BXFGTCAXIBQJLP-NEPJUHHUSA-N 318.381 1.286 0 40 DDAB CCCn1nc(C(=O)Nc2ccc(N(C)C)nc2)ccc1=O 23009662 GDGHIZXWOOVZCC-UHFFFAOYSA-N 301.350 1.367 0 40 DDAB Cc1ccc(O[C@@H](C)CNC(=O)N2CCO[C@@H](CO)C2)cc1 79009168 UJLOZDFQASSPJF-DZGCQCFKSA-N 308.378 1.165 0 40 DDAB CN1C[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1=O 75723765 SDDHDSNMWPLVBE-WBVHZDCISA-N 309.369 1.766 0 40 DDAB NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1 23702280 QSIYUUYVBKNHPL-UHFFFAOYSA-N 318.402 1.056 0 40 DDAB COC(=O)[C@@H]1C[C@]2(C(=O)Nc3ccc(N)cc32)N2CCC[C@H]12 54969070 UTIANWNXFPNUBS-ZXIHIIQKSA-N 301.346 1.074 0 40 DDAB CCn1cc(NC(=O)N[C@H](C)C(=O)NCc2ccccc2)cn1 55083816 ZSDKHEKKHUHYMN-GFCCVEGCSA-N 315.377 1.729 0 40 DDAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 7151716 ZERWMLABWQNVJZ-UHFFFAOYSA-N 312.782 1.968 0 40 DDAB Cc1cc(NC(=O)c2nccnc2N)ccc1N1CCCC1=O 24778861 VXYLZFRVTSRIGE-UHFFFAOYSA-N 311.345 1.746 0 40 DDAB CCC(C)(C)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 12568566 INQMQAUJANOZRH-UHFFFAOYSA-N 317.345 1.385 0 40 DDAB COCCCN(CCOC)C(=O)Nc1ccc2c(c1)OCCO2 56346833 KEMBHTJEUQOTHI-UHFFFAOYSA-N 324.377 1.975 0 40 DDAB CCOC(=O)NC(NC(=O)OCC)C(=O)c1ccc(F)cc1 3212856 HBDYQTZBRXHWKA-UHFFFAOYSA-N 312.297 1.827 0 40 DDAB O=C(c1cc2c(F)cccc2s1)N1CCN(CCO)CC1 35110105 NUMSGLJWEGSDSL-UHFFFAOYSA-N 308.378 1.791 0 40 DDAB O=C(NCC(=O)N1CCCc2ccccc21)c1cc(C2CC2)[nH]n1 57271097 QLXAKAJXXUWFRY-UHFFFAOYSA-N 324.384 1.996 0 40 DDAB CCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2ccccc21 100748008 GJAVLMGCVAFXHZ-UHFFFAOYSA-N 303.362 1.018 0 40 DDAB biogenic CN1CCN(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)Cc2ccccc21 108356255 ZIJMOEKKCAIGRO-IJEWVQPXSA-N 301.390 1.968 0 40 DDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F 9995170 BHIARJBKVKPWLZ-SECBINFHSA-N 316.279 1.939 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N(C)C 58169164 JVGRHSBULNFRFZ-ZBFHGGJFSA-N 317.433 1.492 0 40 DDAB Cc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2C(N)=O)cc1 44867528 CJPSUNJFDFGMBE-OAHLLOKOSA-N 303.406 1.293 0 40 DDAB COCC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 3350636 MLHQMBQSVOFJFN-UHFFFAOYSA-N 304.327 1.599 0 40 DDAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 58324095 IIWVEBXSPNDXPM-AWEZNQCLSA-N 303.406 1.693 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)s1 28057545 GOHVIIWYEPBHPC-UHFFFAOYSA-N 324.431 1.357 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)NC3CC3)CC2)cc1F 55329310 BMCREEAYZHYRDE-UHFFFAOYSA-N 305.353 1.764 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C)cc1 48356629 CNEDFRFJPGVBBV-PWSUYJOCSA-N 311.407 1.050 0 40 DDAB C[C@H]1CC(=O)NN1CC(=O)Nc1cc2c(cc1Cl)OCO2 12801080 NRMNDQPRPUVRLE-ZETCQYMHSA-N 311.725 1.133 0 40 DDAB O=C(CN1CCC[C@@H]2CCCC[C@H]21)N[C@@H]1CCCCNC1=O 46054675 CLDMZAGCHQLNIO-RRFJBIMHSA-N 307.438 1.426 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCN1CCN(CC(=O)N(C)C)CC1 46055947 GCNLHHMHUFVTIM-CVEARBPZSA-N 311.470 1.288 0 40 DDAB CCOC(=O)CCCN1CCN(Cc2ccccc2)C(=O)C1=O 21155199 RJFHCHQTGFQREQ-UHFFFAOYSA-N 318.373 1.201 0 40 DDAB COCCCNC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 29693558 CLDJWOHKWLCJIG-GHMZBOCLSA-N 321.377 1.359 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c(=O)[nH]1 65551578 XRHPXZUAQZERRU-KGLIPLIRSA-N 322.405 1.582 0 40 DDAB O=C(COC(=O)C1CCC1)Nc1ccc(N2CCOCC2)cc1 5399288 RSPPVMLYPNZXJB-UHFFFAOYSA-N 318.373 1.805 0 40 DDAB OC[C@H](NCc1noc(C2CCOCC2)n1)c1ccccc1 96006401 AGNLJPMSGJEZSH-AWEZNQCLSA-N 303.362 1.787 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 6558725 FQLYRJNOVLFBAJ-VIFPVBQESA-N 317.794 1.652 0 40 DDAB CCn1c(O)c(C(=O)Nc2ncccn2)c(=O)c2ccccc21 5686895 FUHGFLIKQSUHAG-UHFFFAOYSA-N 310.313 1.769 0 40 DDAB CCN1C[C@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1=O 84779906 KTDSAIWMSYJNRF-VXGBXAGGSA-N 318.377 1.479 0 40 DDAB CC[C@@H](C)[C@H](C(=O)OCc1nc(N)nc(N)n1)c1ccccc1 7185506 GPGKJFZQFREGHL-MFKMUULPSA-N 315.377 1.909 0 40 DDAB CCOC(=O)c1c(C)oc2ncn(Cc3cc(C)on3)c(=O)c12 7554430 WFHBVCWNIKSOSC-UHFFFAOYSA-N 317.301 1.819 0 40 DDAB O=c1[nH]c(Cn2nnc3ccccc3c2=O)nc2ccccc12 9441900 HFNOTDWTHLHPNA-UHFFFAOYSA-N 305.297 1.076 0 40 DDAB COCCN1CC[C@H](CNC(=O)c2ccccc2COC)C1 68493025 OXYJINGJTHBDMO-CQSZACIVSA-N 306.406 1.531 0 40 DDAB CCNC(=O)NC(=O)CN(C)[C@@H](C)Cc1ccc(OC)cc1 69416315 ROJUQZOYDZUBJN-LBPRGKRZSA-N 307.394 1.404 0 40 DDAB CN(C)C(=O)CNCC1CCN(C[C@H](O)c2ccccc2)CC1 69597900 SRATZCJDDDLCQE-KRWDZBQOSA-N 319.449 1.110 0 40 DDAB Cc1nnc2n1CCN(C(=O)C[C@H]1OCCc3sccc31)C2 69571408 ZQADIOVFBKYULR-GFCCVEGCSA-N 318.402 1.694 0 40 DDAB CN(CCN1CCOCC1)C(=O)c1c(F)cccc1Cl 69530588 HWFWTKCREPNDSA-UHFFFAOYSA-N 300.761 1.883 0 40 DDAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 69950575 SFUCSQYQGQVSQN-GFCCVEGCSA-N 317.794 1.285 0 40 DDAB CCNC(=O)CN(CC)C(=O)N[C@H]1COc2c1ccc(C)c2C 71803239 DCLXRFOIKKVBQH-AWEZNQCLSA-N 319.405 1.905 0 40 DDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)c1ccccc1 95476953 IQMSQICVAFDTSE-UHFFFAOYSA-N 308.341 1.530 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)CC[C@@H]3CCCO3)CCO2)n1 83829871 RZBFFZFSNASOLZ-RYUDHWBXSA-N 308.382 1.226 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3c[nH]c(C(C)C)n3)CCO2)n1 83829967 KHGITAMMHDMCFZ-NSHDSACASA-N 318.381 1.427 0 40 DDAB O=C([C@@H]1CCCN1C(=O)CC1=CCCCC1)N1CCOCC1 71900229 WROQCIFFNSYUOU-HNNXBMFYSA-N 306.406 1.727 0 40 DDAB O=C(OCC(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCO2 9836528 WLHBTGPYRXEOOC-UHFFFAOYSA-N 316.265 1.866 0 40 DDAB COC(=O)Cn1ccc(NC(=O)Cc2ccc(F)cc2F)n1 87237023 ISUZJRRMKJEUKE-UHFFFAOYSA-N 309.272 1.516 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)c(C)c2)C1 97051640 KMCWWYMKJJWWFQ-CYBMUJFWSA-N 300.399 1.648 0 40 DDAB CCc1ncncc1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 72235482 LDEYMUFLENMYCR-ZDUSSCGKSA-N 314.393 1.725 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1cn(C)nc1C)C2 72285424 VXYYYCMXSWIOAI-AWEZNQCLSA-N 301.394 1.297 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(c3cnc4ccccc4n3)CCO2)n1 72276530 HQPPMZWPYGFEFA-CQSZACIVSA-N 324.388 1.744 0 40 DDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 72235692 PERCFLLMAJEGPU-ZIAGYGMSSA-N 302.382 1.516 0 40 DDAB CC(C)NS(=O)(=O)[C@@H]1CCN(c2noc(C(C)(C)C)n2)C1 97115387 JXTJWFDLCUIJAV-SNVBAGLBSA-N 316.427 1.274 0 40 DDAB CC(=O)N(C)CC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984644 RTSUDVDWKUMPFJ-UKRRQHHQSA-N 310.781 1.765 0 40 DDAB COC(=O)CN(Cc1cnn(C)c1)C(=O)c1cccc(F)c1 75137277 ZGNNPSSRTUFDRJ-UHFFFAOYSA-N 305.309 1.375 0 40 DDAB Cc1nsc(N2CCCN(C(=O)NCC3CCC3)CC2)n1 89721362 WWYVDDUJPCOPBS-UHFFFAOYSA-N 309.439 1.868 0 40 DDAB Cn1ccnc1CNC(=O)N1CCC[C@@H](Cc2nccn2C)C1 89761398 MFWIVWHDZWNEQQ-ZDUSSCGKSA-N 316.409 1.318 0 40 DDAB O=C(c1ccco1)N1CCCc2cnc(N3CCOCC3)nc21 675008131 DAICGEZRAYVRJR-UHFFFAOYSA-N 314.345 1.499 0 40 DDAB c1ccc(CN2C[C@H]3CN(c4ncnc5n[nH]cc45)C[C@H]3C2)cc1 359906221 UMASUPRNGKJOMS-GASCZTMLSA-N 320.400 1.921 0 40 DDAB CCOC(=O)[C@]1(F)CN(c2cc(C)nc(C)n2)CC12COC2 521398564 PBGXSKFNLAJAQO-OAHLLOKOSA-N 309.341 1.201 0 40 DDAB O=C(Nc1nc[nH]n1)c1cc(=O)c(OCc2ccccc2)co1 524734496 KUTVQCQFDGWROJ-UHFFFAOYSA-N 312.285 1.589 0 40 DDAB Cc1nc(NCc2snnc2C)cc([C@@H]2COCCN2)n1 72366236 NQOKPIMLDIKURD-NSHDSACASA-N 306.395 1.218 0 40 DDAB CC(C)NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 35312031 UKLLJIPSLLQEMW-UHFFFAOYSA-N 314.393 1.403 0 40 DDAB C[C@H](N)[C@@H](C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 566104585 RGISESCURJOOML-QLFBSQMISA-N 321.465 1.611 0 40 DDAB CC(C)N(Cc1cnn(C)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 78776862 HZOZYRXFLAJPQG-GFCCVEGCSA-N 318.343 1.794 0 40 DDAB Cc1cc(C[C@@H]2COCCN(C(=O)C3CCCC3)C2)ncn1 72388294 KJCHSIXHDGKELG-AWEZNQCLSA-N 303.406 1.993 0 40 DDAB CCc1nc(CNS(=O)(=O)c2ccco2)ccc1C(=O)O 564780963 FCLZGQZAOJWWLT-UHFFFAOYSA-N 310.331 1.414 0 40 DDAB COCCNC(=O)c1cc(N)ccc1NCc1cccnc1 225461919 FULWSXPJMZTTKI-UHFFFAOYSA-N 300.362 1.652 0 40 DDAB C[C@](NC(=O)c1noc2c1COCC2)(C(=O)O)c1ccccc1 527592453 LWOFIGCJNBSQNL-MRXNPFEDSA-N 316.313 1.477 0 40 DDAB Cc1cc(C)n2c(CN3CC[C@H](C)S(=O)(=O)CC3)cnc2n1 192050613 NXBMMQIPICQQRI-ZDUSSCGKSA-N 322.434 1.355 0 40 DDAB O=C(/C=C/c1ccco1)Nc1cnc(N2CCOCC2)nc1 75161835 ZEWYFSNICOCXDP-ONEGZZNKSA-N 300.318 1.558 0 40 DDAB CCCC[C@@H](N)C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 195554268 ODHVPDSZISEVSY-JKSUJKDBSA-N 310.486 1.132 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)nn1 225464128 HSOBTECUVFDEBR-OAHLLOKOSA-N 312.373 1.793 0 40 DDAB CCN(c1ccccc1)S(=O)(=O)NC(=O)Cc1ccoc1 195580299 JWGRDRFCHORXGM-UHFFFAOYSA-N 308.359 1.710 0 40 DDAB Cc1noc(C)c1CCN1C[C@H](c2cnn(C)c2)[C@@H](C(=N)O)C1 329112467 HDPGULYRWQHKBA-CABCVRRESA-N 317.393 1.818 0 40 DDAB COc1cc(OC)nc(NC(=S)NCc2cccnc2)n1 225939019 UCDSNXWUAQEZPU-UHFFFAOYSA-N 305.363 1.375 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)n1 41123575 KDLRYIUPLPNOSX-CQSZACIVSA-N 317.393 1.988 0 40 DDAB O=C(NCc1ccc(F)cc1)N1CC[C@@H](Oc2cnccn2)C1 225796718 YPJFAYVXJJTVMH-CQSZACIVSA-N 316.336 1.979 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(C)cc2)c1=O 225966868 PQBMPNPAUNWMRL-UHFFFAOYSA-N 300.314 1.920 0 40 DDAB C[C@H](CNC1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 194382201 FTJAUVMEQIBTDM-OAHLLOKOSA-N 324.490 1.889 0 40 DDAB Cc1ccc(N2CCC[C@]3(CCN(CCN(C)C)C3=O)C2)nn1 96223874 QKMNYZFUNQBLIN-KRWDZBQOSA-N 317.437 1.166 0 40 DDAB COCCN1CCC2(CC1)CCN(C(=O)c1cnccn1)C2 96062872 VPJHWXQHXIJLBU-UHFFFAOYSA-N 304.394 1.051 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1cccnc1Cl 95471813 FHJCBPVCRFIADU-UHFFFAOYSA-N 307.693 1.234 0 40 DDAB CC(C)OCCS(=O)(=O)N[C@@H]1CCCC[C@H]1n1cccn1 96451091 YXRPPRWXFHXYNT-ZIAGYGMSSA-N 315.439 1.711 0 40 DDAB CC(C)c1nnc2n1C[C@H](NC(=O)COCC(F)(F)F)CC2 97199015 FTFFAIQATYUYHD-SECBINFHSA-N 320.315 1.411 0 40 DDAB O=C(NCC1CC1)C1=NO[C@@]2(CCN(Cc3ccsc3)C2)C1 96225472 QBPUWSHJYFWKOB-INIZCTEOSA-N 319.430 1.995 0 40 DDAB Cc1ccc2ncc(C(=O)Nc3nc(C(N)=O)cs3)n2c1 90596647 RPYJGGCGXWEKLE-UHFFFAOYSA-N 301.331 1.450 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(c4ncccn4)C[C@@H]23)n1 96040847 IKBSDKQORHPMDG-UPJWGTAASA-N 301.350 1.110 0 40 DDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2C2CCCC2)O1)N1CCOCC1 96041069 WREGAIRBFGNAQR-BZUAXINKSA-N 308.422 1.410 0 40 DDAB CNS(=O)(=O)[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 92068349 WSZUMGKNVXBLLL-LLVKDONJSA-N 317.480 1.564 0 40 DDAB O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1ccoc1 96044354 YSMJVAIGCPCMBR-CQSZACIVSA-N 301.346 1.930 0 40 DDAB O=C1C[C@H](NCc2cccc3cn[nH]c23)CN1CC(F)(F)F 96494365 QTIHHQXBLPVWNO-NSHDSACASA-N 312.295 1.816 0 40 DDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc3cc[nH]c23)O1 96492563 ORKKGRXSLFPGJT-JSGCOSHPSA-N 315.373 1.534 0 40 DDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1Cc1ccccn1 96201276 VTHPOEHQAZEIGU-CYBMUJFWSA-N 309.377 1.495 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1c2ccccc2C[C@H]1C 96427215 NNAZUIPMAFQXIY-MLGOLLRUSA-N 324.446 1.708 0 40 DDAB Cc1cc(C)n(CCSCc2nc(N)nc(N(C)C)n2)n1 96451106 LGDAVKYQILEIDZ-UHFFFAOYSA-N 307.427 1.267 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccco2)C1)N1CCCC1 96057612 HFGHOBBVXRQJNN-GZBFAFLISA-N 318.373 1.522 0 40 DDAB CCN1CCn2c(C)cnc2C12CCN(c1ncccn1)CC2 96145021 CQIWXJSIEJIOKD-UHFFFAOYSA-N 312.421 1.813 0 40 DDAB O=C(c1ccno1)N1CCCn2nnc(Cn3cccc3)c2C1 96259515 GSLOSPUROBXMGE-UHFFFAOYSA-N 312.333 1.162 0 40 DDAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1csnn1 96461370 BFPFJFMAPWTQOX-UHFFFAOYSA-N 304.375 1.623 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(Cc2ccnn2C)C1 257251875 JSQOXHLBZJMJND-CYBMUJFWSA-N 300.410 1.707 0 40 DDAB Cc1cncc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1 257201004 AFSXEFJRSHFKKK-BZUAXINKSA-N 303.406 1.450 0 40 DDAB Cc1c[nH]c([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257247833 JATABTUQSURFEJ-JTQLQIEISA-N 313.404 1.542 0 40 DDAB O=C(O)c1cc(-c2nccnc2[C@H]2CNCCO2)ccc1O 257327830 XCXXUTGKPCRPSL-GFCCVEGCSA-N 301.302 1.208 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCO[C@@H](c2cnccn2)C1 257294182 QSXVTCABSNWTEQ-CQSZACIVSA-N 323.349 1.378 0 40 DDAB Cc1oc2c(c1C(=O)N1CC[C@](O)(CN(C)C)C1)CCCC2 257281865 ORHCOZWOQLXVGJ-KRWDZBQOSA-N 306.406 1.605 0 40 DDAB O=C(c1cnn2cccnc12)N1CCC[C@H]1c1ccnc(O)n1 257340219 ZFCPBDGWXMMFEI-LBPRGKRZSA-N 310.317 1.202 0 40 DDAB CC(C)c1cc(C(=O)N2CCN(C)C[C@H](C(N)=O)C2)cs1 257249212 JHHMPAHYFZJHKV-LBPRGKRZSA-N 309.435 1.361 0 40 DDAB CC(=O)N1CCC[C@@H]2N(C(=O)Cn3cc(C)cn3)CCC[C@@]21C 257217010 CXCJCZKSKZJJDR-RDJZCZTQSA-N 318.421 1.584 0 40 DDAB CC(=O)Oc1ccccc1C(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O 253488365 AJKFRUOUFGUWKO-BDAKNGLRSA-N 324.285 1.174 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1n[nH]c2c1CCC2 257215925 CSFZXADGCJOUPQ-IIAWOOMASA-N 318.421 1.006 0 40 DDAB O=C(N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1)C1(F)CC1 575402928 FMGCOHQKSCKPMK-LBPRGKRZSA-N 306.337 1.723 0 40 DDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)C2(F)CC2)C3)n1 575402420 ANAYBKYMIODSAJ-LBPRGKRZSA-N 321.352 1.426 0 40 DDAB Cn1cc(-c2cc(CNC(=O)NC3CCOCC3)ccn2)cn1 575608336 NDGWBZIQAYGMFG-UHFFFAOYSA-N 315.377 1.460 0 40 DDAB O=C(O)CCC(=O)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585279854 QTRBEODZVMJYOD-OCCSQVGLSA-N 309.337 1.442 0 40 DDAB O[C@@]1(COc2ccccc2)COCCN(Cc2cncnc2)C1 585269056 JCZBRNISTIKOIZ-QGZVFWFLSA-N 315.373 1.119 0 40 DDAB O=C(C1=CCCCC1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093744 BUQACCNZGCJKFS-HNNXBMFYSA-N 304.434 1.792 0 40 DDAB O=C(CCOc1ccccc1)N1CC[C@@]2(CCCO2)C(=O)C1 585289269 OYYOSZWTLOWPRH-KRWDZBQOSA-N 303.358 1.806 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2c(F)cccc2Cl)[C@@H]1O 585292240 ZECKZFICHCNGMH-MCIONIFRSA-N 303.761 1.686 0 40 DDAB C[C@@H](O)CN1CCN(CCC(=O)N[C@H](C)c2ccccc2)CC1 69899256 NDCFXXIUOROBLL-HZPDHXFCSA-N 319.449 1.252 0 40 DDAB COC(=O)c1cccn2cc(CN3CCOC(C)(C)C3)nc12 69516950 FBNKELHZJOMGHW-UHFFFAOYSA-N 303.362 1.732 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)nc1 45076194 WHNRGJBGXMQBPI-HNNXBMFYSA-N 316.405 1.309 0 40 DDAB C[C@H](NC(=O)c1csc(Cc2ccccc2)n1)C(=O)N(C)C 53181395 QBNHPACFDAQJLQ-NSHDSACASA-N 317.414 1.940 0 40 DDAB COc1cccc(N2CCN(C(=O)Cn3cc(C)cn3)CC2)c1 54927161 HPGWQNPFFUIQSZ-UHFFFAOYSA-N 314.389 1.549 0 40 DDAB CC(C)(C)OC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 58245955 ABDMFJDAXAKXNN-AWEZNQCLSA-N 319.405 1.766 0 40 DDAB Cc1cc(N2CCN(c3ncnc(C)c3C)CC2)n2ncnc2n1 881796343 XUVZMKDIWGNWLP-UHFFFAOYSA-N 324.392 1.166 0 40 DDAB CN(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 5529501 AMIHHHFIWGMKSA-CRWXNKLISA-N 302.330 1.345 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 17325266 RYLZZWGZQRVUNP-RYUDHWBXSA-N 311.403 1.648 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1=COCCO1 17966348 BGRKCLQGKZRCGB-UHFFFAOYSA-N 310.737 1.625 0 40 DDAB Cc1oc2ncn3nc([C@@H](C)NC(=O)C(F)F)nc3c2c1C 19559502 BEZSECHCRYBROW-ZCFIWIBFSA-N 309.276 1.930 0 40 DDAB CCn1ccnc1CN1CC(C(=O)Nc2cccc(OC)c2)C1 19747661 FWIZGNPOLRSQRL-UHFFFAOYSA-N 314.389 1.982 0 40 DDAB C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)C[C@@H](C)c1nnn[nH]1 156528248 ITSDYFDKZXTEFM-GBIKHYSHSA-N 301.350 1.326 0 40 DDAB C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1cccc(F)c1 106911700 JAGNBWIXAAVCDI-WFASDCNBSA-N 312.410 1.824 0 40 DDAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)cc1 5262958 ISFHXAVAEOAEJX-SECBINFHSA-N 320.374 1.556 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc2c(c1)OCC(=O)N2 24804554 WIMXAYMLPLUPJS-SNVBAGLBSA-N 300.318 1.033 0 40 DDAB Cc1nn(CC(=O)Nc2ncccn2)c(C)c1Br 27981573 SQYFUDKAKNYKDX-UHFFFAOYSA-N 310.155 1.691 0 40 DDAB CN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1CC(F)(F)C1)C2 1565552267 XYHNIGXGTKDYHZ-UHFFFAOYSA-N 312.320 1.009 0 40 DDAB CCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 4457948 CWOQMBRNWVSEHW-UHFFFAOYSA-N 316.361 1.427 0 40 DDAB Cc1cccc(OCC(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 10255727 YUFMPOYTTGDUKA-INIZCTEOSA-N 310.353 1.817 0 40 DDAB O=C(CC1CCCC1)NCc1nnnn1-c1cccc(F)c1 10593258 ACWPGXGJYLHNIG-UHFFFAOYSA-N 303.341 1.998 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055715941 NHQPHOYHXYSRIX-GFCCVEGCSA-N 306.410 1.356 0 40 DDAB O=C(C1CC1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 2055819261 AVJLPIAYDQGLPQ-UHFFFAOYSA-N 313.401 1.975 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H](O)c1ccccc1 96025837 XBSDHORZIIHISA-AWEZNQCLSA-N 323.418 1.439 0 40 DDAB Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccccn2)n1 35426030 HWPPONOJDHCZNT-ZDUSSCGKSA-N 323.360 1.841 0 40 DDAB biogenic,in-vitro CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=O)N[C@]1(O)C(F)(F)F 102860390 JQYMIOCQKZLHAF-NQBHXWOUSA-N 316.279 1.805 0 40 DDAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cn1cccn1)c1cccs1 31398389 KOLREMARFKIDRO-AAEUAGOBSA-N 320.418 1.717 0 40 DDAB O=C(Cc1ccc(OC(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 40468014 CLGFCLMYYGFJPW-JTQLQIEISA-N 319.329 1.134 0 40 DDAB CC1CCN(S(=O)(=O)NCCc2cccc(F)c2)CC1 40496152 VBKCJETXBNUSSG-UHFFFAOYSA-N 300.399 1.935 0 40 DDAB CC(C)[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cccs1 32715712 VUHJRZSCXFAJCA-CQSZACIVSA-N 321.402 1.122 0 40 DDAB COc1cc(C(=O)N[C@H](C)Cn2cncn2)cc(OC)c1C 32937128 SWELIKIXUBKKHT-SNVBAGLBSA-N 304.350 1.422 0 40 DDAB Cc1ccccc1OCC(=O)NS(=O)(=O)c1ccccc1 241293 XALBEZBRGBWISM-UHFFFAOYSA-N 305.355 1.879 0 40 DDAB C[C@H](C(=O)NCc1cccnc1)N1C(=O)c2ccccc2C1=O 258011 UPVUBERKGOWNHO-LLVKDONJSA-N 309.325 1.383 0 40 DDAB COc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1 479458 SNPJGDLTQZUGCJ-SNVBAGLBSA-N 319.386 1.267 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)COC(=O)COC1CCCC1 61551956 XOXCZEGTXLPTSQ-UHFFFAOYSA-N 309.366 1.478 0 40 DDAB O=c1[nH]c(=O)n(COCc2ccccc2)cc1N1CCCC1 1432385 OSIOCBUQONDWOL-UHFFFAOYSA-N 301.346 1.311 0 40 DDAB COc1cc(NC(=O)c2cc(C)on2)c(C(=O)O)cc1OC 8267006 ZZGOKTVMLXRYOO-UHFFFAOYSA-N 306.274 1.951 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1cnccn1 100141231 NAAMWUXCHFMPLZ-FZMZJTMJSA-N 320.356 1.730 0 40 DDAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(=O)n(C)n2)n1 25013243 LVXQFHCPKRUUNX-UHFFFAOYSA-N 323.356 1.835 0 40 DDAB COc1cccc(C(=O)COC(=O)c2ccc(C(N)=O)cc2)c1 23045013 GHFIQPYVQGSKGQ-UHFFFAOYSA-N 313.309 1.834 0 40 DDAB CN(C)[C@@H](C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 62090894 HBTRQJAHXBOEMG-OAHLLOKOSA-N 304.390 1.655 0 40 DDAB C[C@H]1CN(C(=O)NCc2ccccc2-n2ccnc2)CCO1 56894984 TWUMFXUKPUISOE-ZDUSSCGKSA-N 300.362 1.803 0 40 DDAB CC(C)C[C@H](NC(=O)Cc1ccon1)C(=O)Nc1cc[nH]n1 84293505 QDJQPODXQLMXJN-NSHDSACASA-N 305.338 1.110 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCOc3ccccc32)C1=O 58157585 YLBPHQYHHHVRIB-UHFFFAOYSA-N 303.362 1.606 0 40 DDAB C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)[C@H]1CCCO1 27889084 AGPWMSGIZXBBLL-SWLSCSKDSA-N 317.389 1.414 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1c1ccncc1 45386741 KLEZGUKEMPCWCT-CYBMUJFWSA-N 312.377 1.666 0 40 DDAB COCCNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 36611006 GWMZNOCHJVWQAL-UHFFFAOYSA-N 310.304 1.921 0 40 DDAB O=C(CN1CCC(O)CC1)Nc1ccc(Br)cn1 28968141 ZPSGWFJTUGCXTC-UHFFFAOYSA-N 314.183 1.239 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1=COCCO1 3315740 JEXAAUJKJISBBF-NSHDSACASA-N 303.314 1.396 0 40 DDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2cnccn2)CC1 11546301 ZJUAQHGIZUCLKF-UHFFFAOYSA-N 324.384 1.303 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)c1cc(C)sc1C 45811506 VCXPGHQRGFOXJJ-UHFFFAOYSA-N 304.437 1.641 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(N)s2)cc1 2618631 AZYWOTBLGILOPS-QMMMGPOBSA-N 324.431 1.926 0 40 DDAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13170995 YDQJFHOKSMRKDH-LLVKDONJSA-N 311.359 1.027 0 40 DDAB CN(C)CCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl 4050779 OJECAQCCEGLMOS-UHFFFAOYSA-N 309.719 1.974 0 40 DDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1n[nH]c2ccccc12 9366882 PMKZFQINJGTVMV-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB O=C(Cn1c(NCCO)nc2ccccc21)NCC(F)(F)F 5185633 LXHMJWPLIBKDMA-UHFFFAOYSA-N 316.283 1.119 0 40 DDAB C[C@H](Cn1ccnc1)NS(=O)(=O)c1ccc2c(c1)CCC2 65410793 RSTHIOUOSDPTQV-GFCCVEGCSA-N 305.403 1.739 0 40 DDAB CC(C)CNC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 65564973 VJCWDSNHQWMMFB-OAHLLOKOSA-N 324.446 1.230 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 4546538 JULCBQMRBUNWRB-SSDOTTSWSA-N 307.331 1.297 0 40 DDAB COc1ccc2cc(/C=C3/SC(=N)NC3=O)c(=O)[nH]c2c1 21596684 LITHWDVBYVHXHY-VZUCSPMQSA-N 301.327 1.675 0 40 DDAB Cn1ncc2c(N3CCN(Cc4cccnc4)CC3)ncnc21 14305933 UGPBPNYJIPTNDI-UHFFFAOYSA-N 309.377 1.081 0 40 DDAB CCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CC 408699586 YAEDRNGLLWYGNW-UHFFFAOYSA-N 312.391 1.875 0 40 DDAB O=C(N1CCN(c2ncccn2)CC1)C1(c2ccccc2)CC1 15307953 COILLPMCKKILOU-UHFFFAOYSA-N 308.385 1.857 0 40 DDAB CC(C)NC(=O)COC(=O)CCc1nc(-c2ccsc2)no1 7109862 IYRWLGWRJRQBNY-UHFFFAOYSA-N 323.374 1.799 0 40 DDAB CCc1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)s1 7347635 QHUSUGJVAOAIDS-UHFFFAOYSA-N 311.388 1.756 0 40 DDAB NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 80591449 YBFGAIKNGOOFQF-RYUDHWBXSA-N 323.780 1.823 0 40 DDAB Cc1ccc(C2(O)CCN(c3nc(C(N)=O)cs3)CC2)nc1 67983263 KCNDPXPTFNDLCX-UHFFFAOYSA-N 318.402 1.433 0 40 DDAB COc1ccc(C(=O)N[C@H](C)CC2CC2)cc1-n1cnnn1 97081276 MTTAZDYCENVQGE-SNVBAGLBSA-N 301.350 1.589 0 40 DDAB COc1ccc(C(=O)N2CC(C)(C)C2(C)C)cc1-n1cnnn1 97081731 HANFWQRGUXQARP-UHFFFAOYSA-N 315.377 1.932 0 40 DDAB CN(C)c1nc2sc(C(=O)N3CCNC(=O)CC3)cc2s1 71839474 JOWQENZXLKQMLT-UHFFFAOYSA-N 324.431 1.386 0 40 DDAB CCc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 91021780 RRPFZSMQJXXZAR-UHFFFAOYSA-N 323.374 1.555 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)c1cnc2c(C)cccn2c1=O 91029754 RQHWVKAMSDDKRJ-CYBMUJFWSA-N 315.373 1.644 0 40 DDAB CC1CCN(C[C@H](O)Cn2nnc(-c3ccccc3)n2)CC1 71832853 QVFGYWABTKLKOH-HNNXBMFYSA-N 301.394 1.433 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1nccn1CC(F)(F)F 71897070 ZBXXQVLJNNOMNP-NXEZZACHSA-N 304.316 1.531 0 40 DDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)N1CCc2ccccc21 8232194 HWWORNVJUIVCBM-SNVBAGLBSA-N 312.329 1.193 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)n1cncn1 72234059 UPKRWGWHYSWVPB-STQMWFEESA-N 302.382 1.553 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@@H]1c1ccccc1F 81862949 DDFVBOCAONBLMF-CFVMTHIKSA-N 307.365 1.833 0 40 DDAB CC(=O)NCCC(=O)NCc1ccccc1OC(F)(F)F 8327181 CFOQQANPGDIKOU-UHFFFAOYSA-N 304.268 1.728 0 40 DDAB COC(=O)C[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCO1 83884710 QCWGXVATSUBUID-INIZCTEOSA-N 315.373 1.636 0 40 DDAB CCc1nc(CCNC(=O)NCC(=O)N(CC)CC)cs1 69414740 UMYYBUVKWBIVEK-UHFFFAOYSA-N 312.439 1.416 0 40 DDAB C[C@@H](OC(=O)CNC(=O)COc1ccccc1)c1cccnc1 71904815 ILBINLBDIQTPHG-CYBMUJFWSA-N 314.341 1.881 0 40 DDAB C[C@@H](C(=O)OCc1cccc2cccnc12)N1CCOCC1 71921297 MJDYLYBIAOLYJX-ZDUSSCGKSA-N 300.358 1.999 0 40 DDAB NC(=O)NC(=O)CCN1CCc2ccc(Br)cc21 71900675 WTNBCGCNOCLBDG-UHFFFAOYSA-N 312.167 1.397 0 40 DDAB O=S(=O)(c1cccc2cccnc12)N1CCCn2ncnc21 71913818 JPBMUVDMKDTBHT-UHFFFAOYSA-N 315.358 1.425 0 40 DDAB CCN(CC)c1ncc(CN[C@@H]2CCc3ncnn3C2)s1 69521050 NFODVDPRTLYNKK-LLVKDONJSA-N 306.439 1.685 0 40 DDAB CN(Cc1ccccc1)C(=O)CN1CCCC[C@H]1C1OCCO1 69594366 IYYFJQAQTNFQAU-INIZCTEOSA-N 318.417 1.872 0 40 DDAB O=C(Cn1cncn1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 72288773 GOEOHNJWKNPBBZ-LLVKDONJSA-N 315.160 1.435 0 40 DDAB CCc1noc(-c2ccc(CCNC(=O)NCCO)cc2)n1 69655453 KEYLXCBINIHPBC-UHFFFAOYSA-N 304.350 1.133 0 40 DDAB COc1ccccc1NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 69812254 XLCYZFSYMSNRLN-PHIMTYICSA-N 300.380 1.461 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)Cn2cccn2)n1 69875357 YIEJEAZGYRONSG-CVEARBPZSA-N 318.425 1.007 0 40 DDAB Cc1ccc(N2C(=O)N(CC(=O)N3CCCC3)C(=O)[C@H]2C)cc1 8708248 KKXBSGNXVBDCEB-CYBMUJFWSA-N 315.373 1.775 0 40 DDAB O[C@@H](CN1CCn2c(nnc2C2CC2)C1)c1ccccc1F 84501611 BNBZIZCXCXXHEJ-AWEZNQCLSA-N 302.353 1.844 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)N1CCOC[C@@H]1c1ncon1 95453162 KIHXMWWTDVEWNN-MUBLQREKSA-N 321.283 1.961 0 40 DDAB CCN1CCO[C@H](C(=O)NC(C)(C)Cc2ccccc2OC)C1 73424130 GFQUMAQCOYMKCY-INIZCTEOSA-N 320.433 1.853 0 40 DDAB C[C@@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CCOCC1 95975034 JKORMYSATIEDDK-WBVHZDCISA-N 323.481 1.288 0 40 DDAB CN1CC[C@H](NC(=O)Cc2ccn[nH]2)[C@@H]1c1ccc(F)c(F)c1 95979719 UYFQOHGXABKBKQ-HOCLYGCPSA-N 320.343 1.792 0 40 DDAB CC(C)c1nnc(CN2CCC(N3CCN(C)C3=O)CC2)o1 75131577 WAVNYYILRRCRFR-UHFFFAOYSA-N 307.398 1.525 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)CCc1nc(-c2cccs2)no1 89937976 BJBRFQZUBMUJAY-LLVKDONJSA-N 320.418 1.893 0 40 DDAB CCOC(=O)[C@@H](C)NC(=O)[C@H](c1c(F)cccc1F)N(C)C 89978102 YEUSDBKKOGLAMP-RNCFNFMXSA-N 314.332 1.635 0 40 DDAB COc1ccc2c(c1)[C@H](CCn1c(C)cc(=O)cc1O)C(=O)N2 1547205994 VIXLJRVAQUVKEH-ZDUSSCGKSA-N 314.341 1.997 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 75602676 VVASMBNWSLQBTE-CYBMUJFWSA-N 303.366 1.977 0 40 DDAB COC(=O)[C@](O)(c1ccccc1)[C@H]1C(=O)N(C)c2ccccc21 20031720 OHZMQWAFNSGLKZ-QAPCUYQASA-N 311.337 1.807 0 40 DDAB Cc1cccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 26100220 QSBLUVUMZJVXGT-VOTSOKGWSA-N 322.430 1.548 0 40 DDAB O=C(C1=CCCC1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 306143718 YKHHVMBIEONVTJ-CQSZACIVSA-N 315.373 1.726 0 40 DDAB CNC(=O)C1CCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1 555835176 UANLINYLFPGXNC-ZDUSSCGKSA-N 302.374 1.407 0 40 DDAB O=C(O)c1ccc(N2CC[C@H](n3ncc4ccccc43)C2)nn1 517033601 WMHWPPMXNXTPOL-LBPRGKRZSA-N 309.329 1.976 0 40 DDAB O=C(O)[C@@H](CC1CCC1)NS(=O)(=O)C[C@@H]1CCCCO1 530472853 XYPXMYUEPKNAER-NWDGAFQWSA-N 305.396 1.118 0 40 DDAB Cn1nc2c(cc1=O)CN(C(=O)NCCc1ccccc1)CC2 72928980 BJHFTHSMWWFRLO-UHFFFAOYSA-N 312.373 1.091 0 40 DDAB Cc1ccc(C[C@H](C)C(=O)N(C)C[C@H](C)c2nnn[nH]2)cc1 124431412 TUUDTVLGRGJYCL-STQMWFEESA-N 301.394 1.949 0 40 DDAB CCCOC(=O)c1cc(N)ccc1Sc1nnc(CC)n1N 70462465 XUQKGIAQRMKAFZ-UHFFFAOYSA-N 321.406 1.855 0 40 DDAB CCCS(=O)(=O)CC(=O)N(C)[C@H]1CCc2ccccc2C1 74604816 LKXIIXIAEGQQHL-HNNXBMFYSA-N 309.431 1.827 0 40 DDAB C[C@@]1(C(=O)NCCCn2cccn2)Oc2ccccc2NC1=O 40776589 OZWIERFDMISYFP-INIZCTEOSA-N 314.345 1.179 0 40 DDAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227555 GJEKQFHJPBJSFV-HOTGVXAUSA-N 312.325 1.839 0 40 DDAB COc1ncccc1NC(=O)C(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 44903036 RZXXONJUARPNCT-WOPDTQHZSA-N 301.346 1.357 0 40 DDAB Cc1nc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cn1C 195574187 FFXNSEIRWBYLMO-NEPJUHHUSA-N 314.455 1.127 0 40 DDAB CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(C)ccc2O)C1(C)C 191705393 SWTZYBOFIMCPFC-RHSMWYFYSA-N 307.390 1.997 0 40 DDAB CCC1(CNC(=O)c2cn(CC(=O)N3CCCC3)nn2)CCC1 84256845 RRTKGGUEJTUZAS-UHFFFAOYSA-N 319.409 1.211 0 40 DDAB Cc1cc(C(=O)O)c(=O)n(CC(=O)Nc2ccccc2Cl)n1 225961704 FHQVTGKTDFREBU-UHFFFAOYSA-N 321.720 1.542 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)N(C(C)C)C2CCC2)c(C)o1 81782336 KMKGNLFIVLIUEN-UHFFFAOYSA-N 314.407 1.899 0 40 DDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1ccn[nH]1 225807837 XNYHMJMQMSNQFW-UHFFFAOYSA-N 310.239 1.401 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223100765 PMIZCZAFIRLRCE-ZETCQYMHSA-N 306.413 1.209 0 40 DDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 227161948 PHHNUEKGQBNZMW-UHFFFAOYSA-N 310.375 1.216 0 40 DDAB Cn1nc(C(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccco1 40745732 MCHNHGGZLUHOEO-JTQLQIEISA-N 318.333 1.174 0 40 DDAB O=C(c1cccnc1)N1CCc2onc(Cn3cccn3)c2C1 96259782 HUAAZIQKPPHAME-UHFFFAOYSA-N 309.329 1.513 0 40 DDAB CC(C)CNC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccco3)C2)C1 96225453 QBHIQDAMDSIISZ-INIZCTEOSA-N 319.361 1.413 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(C(=O)C3CCOCC3)CC2)O1 96087243 RUDUXRZSKRJJFA-AWEZNQCLSA-N 324.421 1.041 0 40 DDAB CCOc1ncccc1C(=O)N[C@H]1CCc2nnc(CC)n2C1 97198572 GOJYDGBBZBGNGB-NSHDSACASA-N 315.377 1.379 0 40 DDAB O=C(c1cocn1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96107604 MNKIVXYLTRVDLG-BBRMVZONSA-N 315.329 1.522 0 40 DDAB Cc1ccc(NC(=O)CN(C)Cc2n[nH]c(C3CC3)n2)nc1 97373525 NVMPOZXXFTZIMN-UHFFFAOYSA-N 300.366 1.456 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1Cl 96420327 XZEZGAVXDFMGNK-GXFFZTMASA-N 310.781 1.946 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 97235602 YJIAZQULELQLNO-IACUBPJLSA-N 312.435 1.917 0 40 DDAB CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NC3CC3)ccc21 96183089 HCLZEXDYTUAASH-UHFFFAOYSA-N 308.403 1.771 0 40 DDAB Cc1ccnc(NC[C@H]2CCN(c3ccc4nnnn4n3)C2)c1 97200978 SVIKYXXMOZLKMW-GFCCVEGCSA-N 310.365 1.161 0 40 DDAB COc1ccc2c(c1)nc1n2[C@@H](CNC(=O)C2CC2)COC1 96112461 OCPZBOSZJIQHGO-NSHDSACASA-N 301.346 1.642 0 40 DDAB biogenic,in-vitro CC[C@@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C[C@@H](C)O1 96410731 MZUBPBKZLOZVMX-YUELXQCFSA-N 323.441 1.232 0 40 DDAB C[C@@H](C(=O)N[C@H](CCO)c1ccccc1)N1CCSCC1 95445592 XCPLSWIHAXGRCC-DZGCQCFKSA-N 308.447 1.664 0 40 DDAB N[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242437502 CDUKAWAUSBSEPE-ARFHVFGLSA-N 303.383 1.316 0 40 DDAB CCc1cnc(CCNC(=O)c2cc(C(=O)OC)on2)s1 252488171 IMLJSHZFSQNXTB-UHFFFAOYSA-N 309.347 1.453 0 40 DDAB COCC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(C)=O)CC[C@H]21 257344859 ZYXRZVBFNHWOGX-BRWVUGGUSA-N 316.401 1.496 0 40 DDAB CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257219587 DHIJYUOQBXRTQV-HUUCEWRRSA-N 316.357 1.810 0 40 DDAB COc1cc(C)c(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1F 252488711 IXJHOEOQCOVIDX-SNVBAGLBSA-N 309.341 1.872 0 40 DDAB Cn1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)n1 257228045 FSBDKLSXVLJTDS-NSHDSACASA-N 301.350 1.034 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260895231 HGXDLNAFZZDNRP-HUBLWGQQSA-N 322.430 1.855 0 40 DDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575406241 WFHODGMMWYBTJD-CQSZACIVSA-N 320.393 1.367 0 40 DDAB C[C@]1(NCCNCc2ccccc2Cl)CCS(=O)(=O)C1 575420043 DSLWENMGZVOKJQ-AWEZNQCLSA-N 316.854 1.596 0 40 DDAB O=C(CCNC(=O)c1cnc2ccccc2n1)Nc1cccnc1 66099243 ALDFLFSVTMHOMI-UHFFFAOYSA-N 321.340 1.783 0 40 DDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1 31669108 SNNYWBAMIOFOBO-UHFFFAOYSA-N 322.361 1.896 0 40 DDAB OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCCC1 1615105443 JMBWXVLPNCKZAH-SFHVURJKSA-N 321.417 1.434 0 40 DDAB CO[C@@H]1C[C@H](NC(C)=O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 5373094 GDYLYTADQGGFEF-RFBLXINOSA-N 307.346 1.367 0 40 DDAB COc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1 12223643 ADFAQCLZRGWTAF-UHFFFAOYSA-N 302.334 1.349 0 40 DDAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc(CC)cc(=O)[nH]2)on1 19522750 PJBSTYJEHZSAEV-GFCCVEGCSA-N 316.361 1.860 0 40 DDAB COc1cc(N2CCN(c3nc(C)ns3)CC2=O)ccn1 1888856962 BPVOOHLCSNZDIS-UHFFFAOYSA-N 305.363 1.103 0 40 DDAB CC(C)c1noc(CN2CCO[C@@H](C(=O)N3CCCC3)C2)n1 1889111394 LSQJEEVAOWEIJJ-GFCCVEGCSA-N 308.382 1.016 0 40 DDAB Cc1nnsc1C(=O)N1CCC(N(C)c2ccccn2)CC1 1889120609 IOIVFBCWQSPYFR-UHFFFAOYSA-N 317.418 1.983 0 40 DDAB COCCC(=O)N1CCO[C@]2(CCCCN(C(C)C)C2=O)C1 2037984002 NCCGUJAOTKFKFV-MRXNPFEDSA-N 312.410 1.041 0 40 DDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cc[nH]n4)CC3)O2)n1 1565542739 MNGQMVGMNKUDAO-LBPRGKRZSA-N 317.349 1.628 0 40 DDAB O=C1C[C@H]2[C@H](CCN2C(=O)OCCF)N1Cc1ccccc1 1565553212 OJEPGZMTQABVNP-KBPBESRZSA-N 306.337 1.968 0 40 DDAB Cc1ncnc(C(=O)N2C[C@@H]3OCCN(C(C)C)[C@H]3C2)c1C 1565550103 PQIMAGGHOGZPLN-KBPBESRZSA-N 304.394 1.027 0 40 DDAB NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1 15082043 GFHZIIDLBAAYRN-SECBINFHSA-N 318.358 1.064 0 40 DDAB Cc1cnc(C)c(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 2086884752 UFEADWHVZMAJDL-LBPRGKRZSA-N 310.423 1.144 0 40 DDAB COc1ccc(CNC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)cc1 585149756 MOOUWUUYSIHEAF-KBPBESRZSA-N 304.390 1.720 0 40 DDAB CCNC(=O)CNC(=O)NCc1ccc2cc(OC)ccc2c1 10495950 BWKYIELQSOKWLB-UHFFFAOYSA-N 315.373 1.784 0 40 DDAB CCCCc1nnc(NC(=O)CNC(=O)c2ccoc2)s1 30570170 LSJUYEKCBJJUQU-UHFFFAOYSA-N 308.363 1.842 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 40105598 FBXWHFYPEOTMOZ-AWEZNQCLSA-N 308.407 1.001 0 40 DDAB O=C(CN1CCSC1=O)Nc1ccc(N2CCOCC2)cn1 40490414 FVJZMKYVMGHFIA-UHFFFAOYSA-N 322.390 1.026 0 40 DDAB Cc1ccc(N2C(=O)c3sc4nc(=O)cnn4c3C2=O)cc1 113456 MNDHJKQEGWRYLW-UHFFFAOYSA-N 312.310 1.260 0 40 DDAB CCc1cc2c(NCCC(=O)N3CCOCC3)ncnc2s1 31866445 PAJJMLDMJWXPKE-UHFFFAOYSA-N 320.418 1.915 0 40 DDAB CN(Cc1ccc(Br)o1)C(=O)c1ccc(O)nn1 31899542 VBBHETFVSYZEFD-UHFFFAOYSA-N 312.123 1.810 0 40 DDAB C[C@H](NC(=O)CCNS(C)(=O)=O)c1cc(F)ccc1F 40522834 YSWJFVDZCATCNJ-QMMMGPOBSA-N 306.334 1.081 0 40 DDAB C[C@H](CNC(=O)NCc1ccccc1)CN1CCN(C)CC1 40554356 GDWCPXLZSXPCNF-OAHLLOKOSA-N 304.438 1.369 0 40 DDAB CN(C(=O)C(=O)NCCCN1CCCC1)c1ccc(F)cc1 52654430 BNWJTOXUUFFWCU-UHFFFAOYSA-N 307.369 1.391 0 40 DDAB CN1CC(=O)N(CC(=O)N2CCC[C@H]2c2ccccc2)C1=O 42010504 VLURZOPPUFKNMC-ZDUSSCGKSA-N 301.346 1.244 0 40 DDAB CCOC(=O)c1sc(S(N)(=O)=O)c(C(=O)OCC)c1C 106743 DHKDYAMJLLNNRI-UHFFFAOYSA-N 321.376 1.057 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 534056 PWBCMFRVRQSIEB-OHTBPHCPSA-N 323.707 1.850 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 557536 UMSQWKUKRFYYIX-UHFFFAOYSA-N 310.770 1.473 0 40 DDAB CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 79421583 QKHJAPOJYVVIIL-KGLIPLIRSA-N 319.405 1.992 0 40 DDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1ccccn1 79476851 OGQGNTBLCKPFRM-UHFFFAOYSA-N 324.340 1.257 0 40 DDAB CCNC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 12569157 ZQAHFIRQUWGKEX-UHFFFAOYSA-N 300.365 1.085 0 40 DDAB CO[C@@H]1C2=CC=CC=C[C@@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 8648349 WYXFMBIUOJXKLZ-LSDHHAIUSA-N 309.325 1.553 0 40 DDAB CC(C)(C)NC(=O)COC(=O)c1cncc(Br)c1 3296356 OLXJZFCAHOYHSL-UHFFFAOYSA-N 315.167 1.916 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)NC[C@@H]3CCC[C@H]3O)cc21 108135819 WNYXPZBZFUYBLO-XJKSGUPXSA-N 324.446 1.508 0 40 DDAB NC(=O)C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 27064790 HEASOXCGNROWGR-UHFFFAOYSA-N 314.307 1.972 0 40 DDAB CCC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 44875021 AYULGFBOZJPZKE-ZDUSSCGKSA-N 301.346 1.194 0 40 DDAB Cc1cc(CN2CCN(C(=O)Cc3cccs3)CC2)on1 44890374 SHUMQXUAGIDTSW-UHFFFAOYSA-N 305.403 1.931 0 40 DDAB Cc1ccc(CC(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 58289950 UMQJKHFPVFQELK-CYBMUJFWSA-N 300.358 1.952 0 40 DDAB Cc1cc(N2CCC(NC(=O)C3[C@@H]4CCC[C@@H]34)CC2)ncn1 104243371 WXGDFOXWSDGSJI-ZIAGYGMSSA-N 300.406 1.916 0 40 DDAB Cc1csc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 48273725 RYNGBMCGGPLMFW-GXTWGEPZSA-N 303.387 1.909 0 40 DDAB CN(C)C(=O)[C@@H]1C[C@H]2CN(C(=O)NC3CCCCCC3)C[C@H]1O2 107263312 NUYJQECEJLLGKH-RRFJBIMHSA-N 323.437 1.596 0 40 DDAB CC[C@@](C)(CNC(=O)N[C@@H](C)Cn1cccn1)N1CCOCC1 48276485 NBBYYMQCFLVINO-HOCLYGCPSA-N 323.441 1.072 0 40 DDAB CN(C)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58380185 QZORRVALZRDTGC-UONOGXRCSA-N 313.357 1.349 0 40 DDAB C[C@@H]1CN(CCNC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 58357214 NMQIWGUBDIYZSC-CHWSQXEVSA-N 323.412 1.731 0 40 DDAB CC(C)(C)N1CCCN(C(=O)CNC(=O)c2ccsc2)CC1 58342942 WTONMBZBAARMTM-UHFFFAOYSA-N 323.462 1.811 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-n2cnnn2)cc1 58344065 PHCSBTIUXSDRGG-LBPRGKRZSA-N 301.350 1.161 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@H](C)Oc1cccc(C(C)=O)c1 58392905 VFMXVVMQITUQSU-ZDUSSCGKSA-N 320.389 1.593 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCCc2c1cnn2C 58421094 KPRTZZFNTPGQKT-CQSZACIVSA-N 302.426 1.695 0 40 DDAB COCCc1noc(CN(C)Cc2nnsc2Cl)n1 89350758 RXEFAJWAYLCBDX-UHFFFAOYSA-N 303.775 1.395 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1 3321590 ILGDHEUBMJDDNA-UHFFFAOYSA-N 301.346 1.167 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc2ccccc2[nH]c1=O 11700575 TUOXJJTXKQDHKH-UHFFFAOYSA-N 319.324 1.501 0 40 DDAB COc1cc(C(=O)NCc2ccn(C)n2)ccc1OC(F)F 2796317 LFBDLBSZHWSVKW-UHFFFAOYSA-N 311.288 1.960 0 40 DDAB CSc1nnc(NC(=O)CSc2nccc(O)n2)s1 9143479 MXDPSKCLGUMJHZ-UHFFFAOYSA-N 315.405 1.486 0 40 DDAB CCOC(=O)[C@@H](C)Sc1nncn1CCc1ccccn1 65493619 MKYWLFHMWJMAMY-LLVKDONJSA-N 306.391 1.960 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(-c2cccnc2)on1 65465476 GZJRRRNOEHOOLA-JQWIXIFHSA-N 314.345 1.463 0 40 DDAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 14153179 CTJQJIGVFLPDAU-UHFFFAOYSA-N 320.370 1.612 0 40 DDAB COc1cccc(CNC(=O)Cn2nnc(-c3ccccc3)n2)c1 4549160 BWXOSWAGGXWPEQ-UHFFFAOYSA-N 323.356 1.665 0 40 DDAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCOCC1 14209784 QJKHLYJFLHUZRN-UHFFFAOYSA-N 315.373 1.903 0 40 DDAB COc1ccc(Cl)c2c1N(CCN1CCCC1)C(=O)C2=O 6760159 GMVUIMBVCMHNFN-UHFFFAOYSA-N 308.765 1.974 0 40 DDAB O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)c1cnccn1 95403666 ICNVBNPLRNGCLD-JTQLQIEISA-N 307.300 1.336 0 40 DDAB Cc1cccc(C[C@H](CNC(=O)[C@H](C)n2cccn2)C(=O)O)c1 95425404 VYTOADWWEHRICB-DZGCQCFKSA-N 315.373 1.812 0 40 DDAB COc1ccccc1C(=O)NC(=O)CSc1ncccn1 6912591 ZYUGALMCSFHDOF-UHFFFAOYSA-N 303.343 1.534 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cs1 71796778 MHNAPVDYQVCPAR-LBPRGKRZSA-N 319.390 1.812 0 40 DDAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1-n1cnnn1 7217002 RDUUKNZAFQBKIG-AWEZNQCLSA-N 321.340 1.916 0 40 DDAB CC(C)n1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425686 ZBPXMZLYVCFJSW-JTQLQIEISA-N 305.382 1.241 0 40 DDAB O=C1C[C@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CN1C1CC1 71865201 BGNCMIJSOGEVGN-DZGCQCFKSA-N 316.405 1.275 0 40 DDAB NC(=O)COc1ccc(C(=O)NCc2ccccc2F)cc1 17064296 MTUXAJXSTAGRKP-UHFFFAOYSA-N 302.305 1.620 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cn3c(C)cccc3n1)C2 69485568 YXZIQMIIWWJJTN-UHFFFAOYSA-N 310.361 1.453 0 40 DDAB O=C(CCNC(=O)c1ccc2cc[nH]c2c1)NCc1ccncc1 69416586 UQMHHWXOJNHRHI-UHFFFAOYSA-N 322.368 1.999 0 40 DDAB CN(C)CCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O 22913536 JVKFSQCSFXSFRD-HZPDHXFCSA-N 313.392 1.051 0 40 DDAB CN1C[C@H](C(=O)NCC2(c3ccc(F)cc3)CCC2)CC1=O 69533326 YWEMGFVACYQEMH-GFCCVEGCSA-N 304.365 1.842 0 40 DDAB C[C@H](NC(=O)NCc1ccncc1)C(=O)N1CCCC[C@H]1C 69812340 UVELBLCSSQODNX-OLZOCXBDSA-N 304.394 1.670 0 40 DDAB C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 94345791 IZUXPLKGTFFIKG-BXKDBHETSA-N 322.352 1.982 0 40 DDAB C[C@H](O)CN1CCC(CN(C)Cc2nnc(C3CC3)o2)CC1 69901400 OTSWVLZARBGCMC-LBPRGKRZSA-N 308.426 1.472 0 40 DDAB CC(C)(O)CN1CCN(C(=O)c2ccc3c(c2)COC3)CC1 69928997 YNVFJIXSUVGUIJ-UHFFFAOYSA-N 304.390 1.246 0 40 DDAB CCCC[C@@H](Sc1nnnn1C)C(=O)Nc1cc(C)on1 8735478 OWLSXSATJOMOHN-SECBINFHSA-N 310.383 1.796 0 40 DDAB CCCn1cc(NC(=O)[C@H](CC)N2CCCC2=O)ccc1=O 97010243 DLLUIGPDPVONNH-ZDUSSCGKSA-N 305.378 1.598 0 40 DDAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cncc(F)c2)cn1 97022466 YKEIEETWMDBTAU-AWEZNQCLSA-N 316.336 1.832 0 40 DDAB CC(C)n1ccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)n1 72293129 UUQDUIBATNJHET-CQSZACIVSA-N 302.382 1.462 0 40 DDAB CCCc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 72290692 ZOEBVBOKARIWQJ-INIZCTEOSA-N 301.346 1.063 0 40 DDAB CCCn1nnnc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 72299934 AXAZZZXAYTVFFP-GFCCVEGCSA-N 317.397 1.723 0 40 DDAB CC[C@H]1CN(c2nn3cc(C)nc3s2)CCN1C[C@@H](C)O 72276334 VDVFLFXFHYICHN-NEPJUHHUSA-N 309.439 1.381 0 40 DDAB CC(C)n1nnnc1-c1ccccc1NC(=O)[C@H]1CCOC1 97107010 SGZTVYUFCJPZAL-NSHDSACASA-N 301.350 1.896 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)OCc1ccc(OC)cc1 97107092 HSXPWXOKCHSTKL-UHFFFAOYSA-N 315.391 1.410 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1 95940290 TVBWGTLHBMXQGD-KKOFPSKJSA-N 318.417 1.813 0 40 DDAB CN(C(=O)c1cc2c([nH]c1=O)CCCC2)C1(C(N)=O)CCCC1 97233102 DWVOTAYUCNPCNH-UHFFFAOYSA-N 317.389 1.124 0 40 DDAB COc1cccc([C@H]2C[C@H]2C(=O)NCc2nnc3n2CCC3)c1 89469888 SRAAFIAJBGDZGR-ZIAGYGMSSA-N 312.373 1.653 0 40 DDAB O=C(NCc1nncn1C1CC1)c1cc(=O)[nH]c2ccccc12 75134016 PXALWVCFCXKHIL-UHFFFAOYSA-N 309.329 1.385 0 40 DDAB Cc1csc(N(C(=O)CNC(=O)c2ccccn2)C2CC2)n1 89705696 OCJUPDDVEZUEPK-UHFFFAOYSA-N 316.386 1.772 0 40 DDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ncc[nH]3)C2)C1=O 89869783 OCNMZNLLQOLIPP-LRDDRELGSA-N 319.409 1.341 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccncc2)no1 89937982 XGZRRJUIVYPTPV-LBPRGKRZSA-N 315.377 1.227 0 40 DDAB CCc1nsc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)n1 76093079 OFVQPIXJUJEXAQ-NWDGAFQWSA-N 312.439 1.250 0 40 DDAB O=C(CN1CCOCC1)Nc1cccc(Oc2cnccn2)c1 20445242 FKEUZKVMCPLDTJ-UHFFFAOYSA-N 314.345 1.540 0 40 DDAB O=C(O)[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)N1CCCC1 547933290 SEHSQFUMMWGJHC-NEPJUHHUSA-N 304.412 1.340 0 40 DDAB CC/C=C(/C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 122175272 HOULMQJHFUXBIJ-CGHRZIEDSA-N 307.438 1.450 0 40 DDAB COC(=O)c1cn([C@@H]2CCC[C@@H](C(=O)O)C2)cc2c(O)nnc1-2 524735107 VVOMHAGITZOHII-RKDXNWHRSA-N 319.317 1.691 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CC2)[C@@H]1c1ccc(Cl)cc1 72241339 RISMEKIPQKGBCI-KBPBESRZSA-N 308.765 1.517 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)c1[nH]nc2c1CNCC2 188530445 SBHJWMWQCGKFOD-UHFFFAOYSA-N 322.315 1.142 0 40 DDAB Cn1cc([C@H]2N(C(=O)c3cccc(=O)n3C)CC2(C)C)cn1 568543290 PIHOPWOPNSMNRN-CQSZACIVSA-N 300.362 1.342 0 40 DDAB CNCCc1ccccc1C(=O)NCCn1cnnc1C1CC1 563210190 LIEHBFBMBVWBIH-UHFFFAOYSA-N 313.405 1.347 0 40 DDAB CC(=O)N(C)Cc1cncc([C@H]2CCCN2Cc2c[nH]cn2)n1 72366117 RCXPGWNLSILBNI-MRXNPFEDSA-N 314.393 1.515 0 40 DDAB CN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1 72242181 WEHNETWWMLXEHW-ZFWWWQNUSA-N 306.337 1.204 0 40 DDAB Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)O 49543455 BWXHLQHGSLZQTO-AWEZNQCLSA-N 315.281 1.207 0 40 DDAB biogenic CCNC(=O)[C@]1(C)CC(c2cnc(N3CCCCC3)nc2)=NO1 226084753 MUWJHWODNDGHLU-INIZCTEOSA-N 317.393 1.486 0 40 DDAB NC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c(O)c(F)c1 195563612 RSUOLTUYOWHKDL-UHFFFAOYSA-N 320.295 1.798 0 40 DDAB Cc1ccc([C@@H]2CSCCN2C(=O)c2nccnc2N)o1 81346079 DRZFTMBKZBXBMB-JTQLQIEISA-N 304.375 1.891 0 40 DDAB CCCCCCn1c(=O)c2c(nc3n2CC(C)=NN3)n(C)c1=O 96306520 WUNFFAZALCNBFB-UHFFFAOYSA-N 318.381 1.278 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)C1CCOCC1)CC2 96255818 LJLNGYZKGMKVFC-UHFFFAOYSA-N 318.421 1.287 0 40 DDAB O=C(c1ccncc1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 96038483 RGDZMYKDHGOXLZ-GOSISDBHSA-N 322.368 1.746 0 40 DDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(C1CCC1)C2 96219999 PWTRGNJCPHAWFG-SUMWQHHRSA-N 301.390 1.451 0 40 DDAB CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 333825620 JXXQXVLGNNHRES-HRCADAONSA-N 319.405 1.099 0 40 DDAB c1cncc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 96061067 JWFZTJLPUSYZKX-HNNXBMFYSA-N 322.372 1.424 0 40 DDAB CS(=O)(=O)N1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1 96217972 RIUPMEGAMAQNTJ-CQSZACIVSA-N 300.424 1.203 0 40 DDAB O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ncccn1)C2 96048713 BTJCCEMUYHHYJY-MRXNPFEDSA-N 310.361 1.290 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 96413613 JIKRBPDOLZIUJG-ZBEGNZNMSA-N 310.369 1.986 0 40 DDAB c1ccc(NC[C@@H]2CO[C@@H]3CN(C4CCOCC4)C[C@@H]32)nc1 248032636 IMHMNGLWDNHAHH-FVQBIDKESA-N 303.406 1.619 0 40 DDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(CC3CC3)C2)C1 248093775 YIJKNUCLAVQBFF-WBVHZDCISA-N 302.422 1.946 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 257291181 QFZQSRDIHZVINX-CYBMUJFWSA-N 305.403 1.907 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 26492109 VANMIQQIIPTLIQ-BQRJLUARSA-N 319.430 1.891 0 40 DDAB CC(=O)N1CCC[C@@H]1c1nccnc1-c1cncc(C(=O)O)c1 257294826 QVWSWVKRRHSMDH-CYBMUJFWSA-N 312.329 1.920 0 40 DDAB O=C1CO[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1ccc(F)cc1 257258076 KSILJNMPULGIAN-HZPDHXFCSA-N 304.365 1.647 0 40 DDAB COCCCNC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 253445407 RLYHQINNTDISSL-UHFFFAOYSA-N 318.417 2.000 0 40 DDAB COc1cccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)c1 256049279 ZELKIGCNMCRWHM-UHFFFAOYSA-N 302.334 1.964 0 40 DDAB CC(=O)N[C@H]1CCN(CCOc2ccc(F)cc2)CC[C@@H]1O 257215875 CSARCZADSYKGQS-HOTGVXAUSA-N 310.369 1.166 0 40 DDAB CCc1noc(C)c1C(=O)N1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 257253746 KACBYVFNSAKQCU-STQMWFEESA-N 321.377 1.007 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)O)CC1 262430660 MHIDBNHUINBLAF-JTQLQIEISA-N 308.334 1.111 0 40 DDAB O=C(CSc1ccncc1)N1CC[C@@H](Oc2ccncn2)C1 575608357 YABIFVQYMXABSB-GFCCVEGCSA-N 316.386 1.644 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575403866 PBXILLLPTOVZJR-GFCCVEGCSA-N 308.403 1.583 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)[C@@H]1CCCO1 1776009253 BOGOBIQLILIMLC-NSHDSACASA-N 304.375 1.175 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)NCC2(C(=O)OC)CC2)cc1 1567760475 DTBSYAAGWNVRTC-UHFFFAOYSA-N 302.330 1.494 0 40 DDAB Cc1cc([C@](C)(O)CNC(=O)NCC(C)(C)N(C)C)c(C)o1 73488046 BLPNACHYXHNJAE-MRXNPFEDSA-N 311.426 1.743 0 40 DDAB COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 75161529 ZTNIORJJKQIUEU-LBPRGKRZSA-N 303.362 1.258 0 40 DDAB CSC[C@](C)(O)CNC(=O)C1(c2ccccc2)CCOCC1 75157267 QLZYFAJSVUHNKO-MRXNPFEDSA-N 323.458 1.965 0 40 DDAB Cc1cc(CNC(=O)Nc2cccc(S(C)(=O)=O)c2)on1 61748403 PYVLBCAIGVCRLT-UHFFFAOYSA-N 309.347 1.708 0 40 DDAB CN(C)C(=O)c1cccc(CCNC(=O)Nc2cnn(C)c2)c1 76068809 PRJDHNMGYFRYID-UHFFFAOYSA-N 315.377 1.486 0 40 DDAB CC(C)(CNC(=O)[C@H]1COc2ccccc2C1)N1CCOCC1 40473388 HINKPMPFEWOEKK-OAHLLOKOSA-N 318.417 1.465 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOCC1CC1 87100346 BGUIAZWQFFSRET-GFCCVEGCSA-N 307.398 1.401 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1 88374966 UOCBIULWOQOYOC-JTQLQIEISA-N 304.129 1.919 0 40 DDAB COc1cc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)ccc1C 41903668 QSHMGQWTXHXJDG-OAHLLOKOSA-N 311.403 1.240 0 40 DDAB O=C(CCn1cccn1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91765826 LNYOLLYXWQNXAK-SWLSCSKDSA-N 321.327 1.886 0 40 DDAB O=C1CS[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 5010707 ADXAWKOSCUKSRY-GHMZBOCLSA-N 301.364 1.071 0 40 DDAB CCn1ncc(/C=C/C(=O)NCc2c(C)nn(C)c2C)c1C 5954443 WPRFHYXRPIKFRE-BQYQJAHWSA-N 301.394 1.891 0 40 DDAB Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)n(C)n1 11694276 SPHFDVWINFWTBK-UHFFFAOYSA-N 307.375 1.531 0 40 DDAB CCn1ncc(S(=O)(=O)N(C)Cc2cnn(C)c2C)c1C 14250037 YZYOATHZLNIMGD-UHFFFAOYSA-N 311.411 1.074 0 40 DDAB CCCC(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1 15674483 AKZWOLQGFPJZKW-UHFFFAOYSA-N 318.424 1.451 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CCN(Cc1cc(F)cc(F)c1)CC2 19286419 GAGPUAKWSSIEKF-UHFFFAOYSA-N 305.328 1.957 0 40 DDAB O=C(NCc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1F 19347784 YFHDLFFASMBNQY-UHFFFAOYSA-N 324.315 1.901 0 40 DDAB O=C(NCc1cccnc1)c1cnc(-c2ccccc2)[nH]c1=O 19937200 AITSAQSZGYQNQL-UHFFFAOYSA-N 306.325 1.762 0 40 DDAB O=C(COc1ncnc2sc3c(c12)CCC3)N1CCOCC1 3600039 UODPMWPWOFMOJV-UHFFFAOYSA-N 319.386 1.418 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 11454666 RADAHPHIORPJFX-SECBINFHSA-N 319.329 1.544 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1 14198323 GVKZCKHNTILFSF-UHFFFAOYSA-N 304.277 1.413 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)Nc3nncs3)CC2=O)cc1 21212985 XWWPQPGKURSWKQ-LBPRGKRZSA-N 316.386 1.834 0 40 DDAB O=C(NC1=NCCS1)[C@H]1CCCN(C(=O)c2cccs2)C1 23028172 RQFOYNNGNWXKRE-JTQLQIEISA-N 323.443 1.819 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cccnc2)C1 238878569 ORFFIAVEFBQWGB-LLVKDONJSA-N 321.377 1.584 0 40 DDAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 1565542826 VLIHOQQIBXMSNM-SIRPWMCASA-N 313.401 1.007 0 40 DDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 1565550389 BQTKDZFTIOJHQM-AEGPPILISA-N 305.378 1.456 0 40 DDAB CC(C)(C)OC(=O)N1CC(Cn2nc3c(cc2=O)CCC3)C1 1775969307 KALSQCVLKVNHEX-UHFFFAOYSA-N 305.378 1.599 0 40 DDAB CCn1cc(S(=O)(=O)NC[C@H]2COc3ccccc32)nc1C 342010642 UVXRIHWHHDDJBV-LBPRGKRZSA-N 321.402 1.666 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CC(=O)c1ccccc1 5772639 XGFAGMHTCRTIIH-CMPLNLGQSA-N 310.400 1.018 0 40 DDAB C[C@@H]1CCN(C)c2ccccc2N1CC(=O)N1CCNC1=O 96467081 QMQJQGIVDWQZKK-GFCCVEGCSA-N 302.378 1.273 0 40 DDAB O=C(NC1=NCC(O)=N1)c1ccc(OCC(F)(F)F)nc1 50223147 GUKCEXBEPHGGLU-UHFFFAOYSA-N 302.212 1.079 0 40 DDAB CN1N=C(C(=O)NC[C@H]2CCN(c3ccccc3)C2)CCC1=O 31235782 UFHHWVPXGAKDDZ-CYBMUJFWSA-N 314.389 1.237 0 40 DDAB C[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)n1cncn1 40496379 UGCAZDQGKKGVDE-KBPBESRZSA-N 317.393 1.776 0 40 DDAB Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=O)CCC2 20546815 UWMUHCQNBMAAGY-UHFFFAOYSA-N 306.362 1.169 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101193927 FMMCKONUOQGALJ-YYFQZIEXSA-N 313.353 1.713 0 40 DDAB Cn1ncc2c(=O)[nH]c(NC[C@](C)(O)c3ccsc3)nc21 77236454 GKMDGBUASKMQGZ-ZDUSSCGKSA-N 305.363 1.038 0 40 DDAB Cc1c(C)n(Cc2ccccn2)c2ncn(CCN(C)C)c(=N)c12 8993365 ZXOLGZRVRLIVOW-UHFFFAOYSA-N 324.432 1.939 0 40 DDAB C[C@H]1COC2(CCN(c3nnnn3-c3ccccc3)CC2)O1 77986345 HSPXCNSGJFLTNK-LBPRGKRZSA-N 301.350 1.394 0 40 DDAB CC(C)c1noc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900378 BMYJMDFOHRCSNC-JTQLQIEISA-N 318.381 1.395 0 40 DDAB CCOC(=O)COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1 2488652 MJQZSWSYPVCYIT-DGCLKSJQSA-N 311.359 1.417 0 40 DDAB CC1(C)S[C@H](CNC(=O)COc2ccccc2)N[C@H]1C(=O)O 2583578 NABJOXIJXQOSPN-OLZOCXBDSA-N 324.402 1.076 0 40 DDAB in-vitro O=C(C[C@@H](NCc1cccnc1)C(=O)O)NCc1ccccc1 2710408 QENFYRLUISJSOP-OAHLLOKOSA-N 313.357 1.331 0 40 DDAB COc1ccc(OC)c(CCNC(=O)NC[C@H]2CCCO2)c1 54540246 MEDFHIUIYJRHNR-CQSZACIVSA-N 308.378 1.725 0 40 DDAB O=C(NCc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1 23754355 VUSQIKYUCQJSKF-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB COC(=O)CSC1=N[C@@H](c2ccccc2)C(C(N)=O)=C(C)N1 6202343 OYTVFAKIOXLZMX-ZDUSSCGKSA-N 319.386 1.352 0 40 DDAB O=C(NCc1ccccn1)N[C@@H]1CCCN(c2ncccn2)C1 42880487 UJUWFVYELBYGHG-CQSZACIVSA-N 312.377 1.340 0 40 DDAB CCOC(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccc(OC)cc12 1453823 CAGYJVPKKHLDGS-XUJVJEKNSA-N 322.386 1.502 0 40 DDAB CC(C)C[C@H](CNC(=O)CC(=O)Nc1nccs1)N(C)C 95397199 LAGZEOBFJWHYEZ-LLVKDONJSA-N 312.439 1.564 0 40 DDAB O=S1(=O)C[C@H]2SC(=S)N(c3cccc(O)c3)[C@H]2C1 3296673 PZOXVLAOSAAIKU-VHSXEESVSA-N 301.414 1.396 0 40 DDAB CC(C)CN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 9317363 FVDNTXDXZSYKFG-CQSZACIVSA-N 301.346 1.498 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccs2)C1 57318843 DFCRTRTVZDMPAW-NWDGAFQWSA-N 310.419 1.751 0 40 DDAB COC[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 48264828 KWSKBKKAGKACMI-ZDUSSCGKSA-N 309.410 1.920 0 40 DDAB CCOC(=O)N[C@H]1CCCN(Cc2nnc(OCC)s2)C1 58148087 AVTVUWWCSMRNGB-JTQLQIEISA-N 314.411 1.647 0 40 DDAB Cc1ccccc1Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C 100887244 GCAFTGSVKCJWMQ-UHFFFAOYSA-N 302.359 1.069 0 40 DDAB Cc1cc2n(n1)C[C@H](CN[C@H]1CCCc3c1cnn3C)CN2 58298887 OGIHBBCRHLBZBG-OCCSQVGLSA-N 300.410 1.634 0 40 DDAB C[C@@H](O)CNC(=O)NCc1ccc(F)c(Cn2ccnc2)c1 44966320 YMENTQIMLLSLTN-LLVKDONJSA-N 306.341 1.251 0 40 DDAB O=C(CCCNC(=O)C1CC1)NCc1noc(-c2ccco2)n1 58305511 GUSFEOMSNDVTBV-UHFFFAOYSA-N 318.333 1.252 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N(C)C)c(F)c1 58357734 JBZZXYNQYYKORH-JQWIXIFHSA-N 307.369 1.618 0 40 DDAB CN1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 58425966 ORPFCRIYRCKJKO-UHFFFAOYSA-N 312.417 1.602 0 40 DDAB CC[C@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1N1CCOCC1 84735979 UIHUZTRTLAXGRR-KBPBESRZSA-N 307.394 1.474 0 40 DDAB Cc1ccc2ncc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(=O)n2c1 28263705 VFPZPYSNFPHEDX-VXGBXAGGSA-N 301.346 1.252 0 40 DDAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)Cc1ccc3c(c1)OCO3)CCO2 107720274 ATSDCIMAVMKIIV-MRRJBJDNSA-N 319.357 1.363 0 40 DDAB NC(=O)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 12791439 KAHNIBYEVJTAKO-HNNXBMFYSA-N 301.390 1.204 0 40 DDAB CCCS(=O)(=O)NC1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 104336822 KZNVGVIVPWUUEZ-KKUMJFAQSA-N 312.479 1.992 0 40 DDAB O=C1CCc2cc(C(=O)COC(=O)C3(O)CCCC3)ccc2N1 45892937 GLLPGFJMLQWXJM-UHFFFAOYSA-N 317.341 1.602 0 40 DDAB O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1 95436050 CYGNPJITXWSHEI-GOEBONIOSA-N 321.398 1.450 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1Cl 101675327 LPFKTOJLLWHOJA-VIFPVBQESA-N 307.697 1.319 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)NC2CC2)c(OC)c1 2637359 OHHKRXYDVQUILO-XBXARRHUSA-N 305.330 1.539 0 40 DDAB Cn1cc(NC(=O)NC[C@H](O)C2CC2)c(-c2ccncc2)n1 95468886 ASZSLMDIIYASBL-ZDUSSCGKSA-N 301.350 1.375 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C2=O 3592587 AZYFJSJYXQECKS-BGMSHATGSA-N 309.410 1.648 0 40 DDAB Cc1nc2ccc(NC(=O)c3nccnc3C(=O)O)cc2nc1C 71284246 SNDGYBXSFTWAEB-UHFFFAOYSA-N 323.312 1.987 0 40 DDAB Cc1cc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)no1 13121578 KELFJNIQAPBKPW-FOSCPWQOSA-N 320.345 1.860 0 40 DDAB CCN1CCCC[C@H]1C(=O)NS(=O)(=O)CCC1CCCC1 408491724 BJYDDDMBTYOXIK-AWEZNQCLSA-N 316.467 1.887 0 40 DDAB O=c1cc(N2CCC3(CC2)OCCO3)c(-c2ccccc2)n[nH]1 4002621 PNUVMGDGVRMOIT-UHFFFAOYSA-N 313.357 1.780 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)c2ccc3nnnn3c2)C12CCCC2 95411777 UTZICJUKCLASDK-QWHCGFSZSA-N 315.377 1.592 0 40 DDAB CC(C)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 13653570 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305.221 1.264 0 40 DDAB NC(=O)c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cn1 95980617 AHIZNGGGOKEQAU-LLVKDONJSA-N 300.318 1.973 0 40 DDAB O=C([C@@H](O)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 74365814 KNOJMUYPCDHSSX-SJORKVTESA-N 318.417 1.433 0 40 DDAB O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)N1 89782854 ISHLTXOAHVZLPQ-UONOGXRCSA-N 305.353 1.855 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OCC(=O)O)c1 71284265 BQPUNRRKPJPRAT-NWDGAFQWSA-N 307.302 1.445 0 40 DDAB O=c1[nH]c2c(sc3ncccc32)c(=O)n1C[C@H]1CCCO1 67349620 LGQAKGFWCNAHOF-MRVPVSSYSA-N 303.343 1.479 0 40 DDAB Cn1cnc([C@@H]2CN(C(=O)NCC3CCCCCC3)C[C@H]2N)c1 1550729431 IRKKEZAUFPTSNL-HUUCEWRRSA-N 319.453 1.827 0 40 DDAB CCOC(=O)N1CCC(NC(=O)c2c(CC)noc2C)CC1 23798755 LPGWYRBMVJMGNU-UHFFFAOYSA-N 309.366 1.896 0 40 DDAB Cc1cc(CNS(=O)(=O)Cc2ccccc2)nc(N(C)C)n1 188282891 GPPIZESKCDRXSI-UHFFFAOYSA-N 320.418 1.471 0 40 DDAB C[C@@H](C(=O)NCCn1ccc2c(Cl)cccc21)n1cnnn1 524732809 PLRLCDCAMUZTJY-JTQLQIEISA-N 318.768 1.659 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC(n3cnnc3O)CC2)[C@@H]1C 529221715 HEEXFWILOUNLLX-LSCVPOLPSA-N 308.382 1.207 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cnc2[nH]ncc2c1 1540123061 KOIHLWFRFLIVGE-GFCCVEGCSA-N 310.313 1.528 0 40 DDAB CCOC(=O)C(C)(C)N(C)Cc1nnnn1-c1ccccc1 79028032 RJBYAOMCLSVXDR-UHFFFAOYSA-N 303.366 1.436 0 40 DDAB COc1ccc([C@@H](CC(=O)Nc2nncs2)NC(C)=O)cc1 21215895 JHEAXPLDHUYKMR-GFCCVEGCSA-N 320.374 1.753 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H](O)c2cccn2C)c(C)c1 75155110 MJZQWTLEQOPSPV-AWEZNQCLSA-N 324.402 1.354 0 40 DDAB Cc1ncccc1C(=O)NCCNC(=O)c1c(F)cccc1F 79033325 CYDIVVGGQIZAAJ-UHFFFAOYSA-N 319.311 1.828 0 40 DDAB Cc1nc(NC(=O)N2CCC[C@@H](CN3CCCC3)C2)nn1C 48428369 ZSBDLVNCYZBJLS-ZDUSSCGKSA-N 306.414 1.463 0 40 DDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN2c2ncccn2)n1 72363407 ARITUXICCFLLOF-CYBMUJFWSA-N 313.361 1.934 0 40 DDAB O=C(Nc1cn(Cc2ccccc2)nn1)[C@H]1CCc2cncn2C1 570725044 LYPDCTWHEQMBLW-AWEZNQCLSA-N 322.372 1.724 0 40 DDAB C[C@H](C(=O)NCc1ccncc1)n1nnc2ccccc2c1=O 44450492 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C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)n1cccn1 333019385 DCPXUAXDZZJPLS-KFWWJZLASA-N 318.421 1.742 0 40 DDAB CS(=O)(=O)C(Br)(Br)C(=O)C1CC1 96518479 YXJZLSYOVAXAGV-UHFFFAOYSA-N 320.002 1.454 0 40 DDAB O=C1CC[C@H](C(=O)N2CCS[C@H](c3ccccc3)C2)CN1 96409961 YKFIPVCNWMUQDT-KBPBESRZSA-N 304.415 1.829 0 40 DDAB Cn1cccc1C(=O)N1CCC2(CC1)CCN(CC1CC1)C2=O 96157815 YPJIYLWQYAHYHZ-UHFFFAOYSA-N 315.417 1.890 0 40 DDAB COc1ncc(NC(=O)[C@@H](C)Oc2ccccc2)c(OC)n1 96121357 YQCBXZGEMJNNHN-SNVBAGLBSA-N 303.318 1.900 0 40 DDAB O=C(CN1CC[C@H](CN2CCCCC2)C1)NCc1cccnc1 96441482 UKFQKGHBQUIPJS-QGZVFWFLSA-N 316.449 1.506 0 40 DDAB CCc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1 96202696 RLFYWOKLANOVJI-UHFFFAOYSA-N 312.373 1.985 0 40 DDAB O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)O)[C@H]1CCCOC1 345917427 JOZBTTWKSAFIKM-QWHCGFSZSA-N 309.337 1.612 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2c[nH]cn2)n1 257219405 DGQVOGFLBSOROF-OAHLLOKOSA-N 300.366 1.173 0 40 DDAB CNC(=O)c1cccc([C@@H]2CN(Cc3c[nH]cn3)CCN2C)c1 257317392 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COC(=O)[C@@H]1[C@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OC)[n+]1ccccc12 5121001 DGVSUYJFSVZNIH-HZMVEIRTSA-N 324.356 1.601 0 40 DDAB COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)c1 13730594 YQZPXSGPZWISHK-NSHDSACASA-N 301.306 1.117 0 40 DDAB NC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 14112840 JQJQXYUEXGMWJK-UHFFFAOYSA-N 321.406 1.487 0 40 DDAB Cc1nnc(SCC(=O)NCc2ccc(F)cc2)nc1O 18097543 PKPYAGAVPCBSGH-UHFFFAOYSA-N 308.338 1.433 0 40 DDAB O=C(c1cccnc1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19337457 LHFJHBYHSCILJA-AWEZNQCLSA-N 324.384 1.604 0 40 DDAB O=C(Cn1cncn1)N[C@H](Cc1ccsc1)c1cccnc1 19338114 PHMKXKZFOQXDAE-CQSZACIVSA-N 313.386 1.835 0 40 DDAB Cc1nn(CCC(=O)NCCc2cnccn2)c(C)c1Cl 19578245 XQZVQGMFHVFHBT-UHFFFAOYSA-N 307.785 1.692 0 40 DDAB Cn1cncc1CN1C[C@H]2[C@@H](C1)OCC(=O)N2c1ccccc1 643912749 APIVPUBQQFXBLZ-JKSUJKDBSA-N 312.373 1.036 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2cccs2)N1 12346804 ZCJPXBXNOSOBMI-RNCFNFMXSA-N 319.386 1.377 0 40 DDAB Cc1cc(C)nc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1 1888881992 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302.355 1.841 0 40 DDAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1 6680372 OGDKZLHITXHESG-UHFFFAOYSA-N 315.376 1.629 0 40 DDAB O=C(NC[C@H]1CCCO1)c1c(O)n2c3c(cccc3c1=O)CC2 1321720 GTWRUSOQRWPQNY-LLVKDONJSA-N 314.341 1.172 0 40 DDAB biogenic Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccccn1 47934299 HRDAZEJREIRUCI-UHFFFAOYSA-N 309.333 1.687 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)c1cccnc1 43787613 CAINCOTVZSWDJE-CYBMUJFWSA-N 312.377 1.464 0 40 DDAB CNC(=O)NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 26113941 ZKLNACFLOBAMQY-UHFFFAOYSA-N 319.405 1.492 0 40 DDAB C[C@@H](NC(=O)CNS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 57031954 KOKBMJLPPGEUSE-QFGHMXTESA-N 314.451 1.257 0 40 DDAB CCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)[C@@H]1CC(=O)NC1=O 108346957 KJWNQEJNWQRLDL-GMTAPVOTSA-N 306.387 1.424 0 40 DDAB CN(CCOc1ccccc1)Cc1nc(N)nc(N(C)C)n1 27347980 IOBLGNFQCQYOTB-UHFFFAOYSA-N 302.382 1.031 0 40 DDAB Cc1cccc(OCC(=O)NCCc2cccc(C(N)=O)c2)c1 58279172 ZOOIKARQXPHNAU-UHFFFAOYSA-N 312.369 1.832 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 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O=C(O)Cn1cc([C@H](C(=O)O)N2CCCC2)c2ccccc21 36358393 BJYFTKWJWBOWIZ-OAHLLOKOSA-N 302.330 1.947 0 40 DDAB COc1ccc(N[C@H](C)C(=O)NC(=O)NC2CC2)c(OC)c1 28806160 SHOTWVVPQGKAGG-SECBINFHSA-N 307.350 1.492 0 40 DDAB COc1ccc(N2C(=O)C[C@H](Sc3nc[nH]n3)C2=O)cc1 2495736 DWMVGNREZWVDIZ-JTQLQIEISA-N 304.331 1.238 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)C1 11391394 DZIMANSIGWLFCH-KXUCPTDWSA-N 309.439 1.626 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 3392153 JYVHCEPAPKTSLY-UHFFFAOYSA-N 320.345 1.620 0 40 DDAB CC(C)OCc1cccc(CNC(=O)[C@H](C)N2CCOCC2)c1 48367351 UUQPTUPFUKTIHB-HNNXBMFYSA-N 320.433 1.949 0 40 DDAB Cc1cc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)no1 46922982 VFEHHQFCDJOLAX-UHFFFAOYSA-N 309.347 1.708 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NC(=O)C(C)(C)C)nnc2n1 3442098 RJOCXYCMNXWGCG-UHFFFAOYSA-N 321.406 1.522 0 40 DDAB CC(C)n1nnnc1SCc1cc(=O)n2ccsc2n1 14117890 KXDVVTGDWCTYMU-UHFFFAOYSA-N 308.392 1.616 0 40 DDAB CC(C)[C@@H](C(=O)N1CCOCC1)n1cnc2ccccc2c1=O 6658938 BDQNQYQYWVTHQE-HNNXBMFYSA-N 315.373 1.452 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O 93470039 AFUGGWGISAKPQR-STQMWFEESA-N 302.440 1.797 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H](C)O1 7667633 NGGBZOGLAYXPSO-QWRGUYRKSA-N 324.402 1.369 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C[C@H](C)O1 8030052 WVOJRRGMQWUFRK-IUCAKERBSA-N 317.338 1.322 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)cn1 71796835 ZPGXXLCDIYQHGL-AWEZNQCLSA-N 310.361 1.529 0 40 DDAB Cc1cnn(CCNCCCS(=O)(=O)c2ccccc2)c1 70020621 VXTLBKJZEKPBBU-UHFFFAOYSA-N 307.419 1.645 0 40 DDAB COCCN(C)C(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 96485850 CPFDMHXEWFAIGF-ZDUSSCGKSA-N 316.405 1.884 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc(Br)c[nH]1)C2 69451616 TYCYYJYCUWIOLR-UHFFFAOYSA-N 324.182 1.587 0 40 DDAB CS[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 69492715 SNQNMTWBHJIIHS-BXUZGUMPSA-N 306.431 1.744 0 40 DDAB CCc1nnc2n1CCN(Cc1nc(Cc3ccccc3)no1)C2 69487826 NPIDHZDYHXQRRH-UHFFFAOYSA-N 324.388 1.830 0 40 DDAB Cc1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)o1 72287520 YHDBDNWEJIRDGB-UHFFFAOYSA-N 313.357 1.649 0 40 DDAB CC[C@@H](OC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69655817 UTPVPRXTEDFBJY-JKSUJKDBSA-N 306.406 1.289 0 40 DDAB CC(C)NC(=O)COc1ccc(NC(=O)c2cnn(C)c2)cc1 69696616 XYCFXFJRDXSDEO-UHFFFAOYSA-N 316.361 1.576 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1OC 17586279 HOAXIYRYKBOIGE-UHFFFAOYSA-N 321.358 1.251 0 40 DDAB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cnccn1 69811491 HLTVKGMUXIPSCW-CYBMUJFWSA-N 321.283 1.741 0 40 DDAB CCCCS(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 69895479 QPJUCGIEHNDFDD-AWEZNQCLSA-N 310.419 1.507 0 40 DDAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2nccnc2N)C1 71830763 VRPDSAFWUVPAEK-JHJVBQTASA-N 303.410 1.536 0 40 DDAB CC1(C)CN(C(=O)CCc2nc(-c3ccncc3)no2)CCO1 71843098 AWIIWVOQZAPUAU-UHFFFAOYSA-N 316.361 1.702 0 40 DDAB COCCNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1 25524053 HKZJNJUACPPCMV-CQSZACIVSA-N 318.398 1.982 0 40 DDAB CC[C@H](C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449794 GERWMFUSRLLTHJ-FBOQAHMBSA-N 314.407 1.599 0 40 DDAB CCc1ccsc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269179 AWRBUXIKNCDWBC-KBPBESRZSA-N 308.447 1.982 0 40 DDAB COC(=O)Nc1ccccc1C(=O)N[C@@H](C)CN1CCCC1=O 71903818 SNQMANNLMOOXOZ-NSHDSACASA-N 319.361 1.606 0 40 DDAB CCNC(=O)NC1(C(=O)N(C)c2ccc(OC)nc2)CCCC1 95389960 SJBYHCIMNQYDEG-UHFFFAOYSA-N 320.393 1.685 0 40 DDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)o1 95402399 YQYYMKMIQMDSRK-CYBMUJFWSA-N 317.393 1.950 0 40 DDAB COCCS(=O)(=O)Nc1ccc(Br)c(C)n1 74240505 KQFWRZSSGMUNFT-UHFFFAOYSA-N 309.185 1.541 0 40 DDAB CC(C)N1CCC[C@@H](N2CCN(C(=O)c3ccoc3)CC2)C1=O 95963667 XYUBXZFJJWDFSD-OAHLLOKOSA-N 319.405 1.437 0 40 DDAB COC[C@H](C)N1CCN(c2nc(N)c3ccccc3n2)CC1 95978515 BGYHXQPXYSIRHD-LBPRGKRZSA-N 301.394 1.369 0 40 DDAB O=C(Cn1cccn1)N1CC(n2cc(-c3ccccc3)nn2)C1 95998019 XVOUECXJKMSIMC-UHFFFAOYSA-N 308.345 1.225 0 40 DDAB Cn1ccc(CNC(=O)NC[C@H]2COC3(CCCCC3)O2)c1 95986853 CYEJBEDROILYDF-AWEZNQCLSA-N 307.394 1.900 0 40 DDAB COCc1nn(Cc2nc(-c3ccc(F)cc3)no2)c(=O)o1 89420509 RGJHLAJQWTVGCC-UHFFFAOYSA-N 306.253 1.220 0 40 DDAB COC(C)(C)C(=O)N1CCN(c2nncc3ccccc23)CC1 89620935 JLFFKFUERPNMBW-UHFFFAOYSA-N 314.389 1.703 0 40 DDAB COCc1ccc(CNC(=O)CN2CCN(C)C[C@H]2C)cc1 89939062 WSEJFKFOUJNEHO-CQSZACIVSA-N 305.422 1.085 0 40 DDAB CCC[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnn[nH]1 89949634 MRJOUZKKMAVCGQ-LLVKDONJSA-N 312.337 1.052 0 40 DDAB CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 76020168 CFYWBMSQCYWIFH-CHWSQXEVSA-N 319.405 1.892 0 40 DDAB CC(C)NC(=O)C[C@H](C)NC(=O)NCc1ccc(Cl)nc1 76085436 DUHUFLSEBVOTPL-JTQLQIEISA-N 312.801 1.837 0 40 DDAB C[C@@H](Cc1ccsc1)NC(=O)N1CCC[C@H](CC(N)=O)C1 76093952 XBZUXECQMIWATC-NWDGAFQWSA-N 309.435 1.976 0 40 DDAB Cc1cccc([C@@H](O)CN2CCN(c3ccnc(C)n3)CC2)c1 1548453975 CFZUQRAZCCNMHG-KRWDZBQOSA-N 312.417 1.949 0 40 DDAB NC(=O)C[C@H](NC(=O)c1cc2c(F)cccc2s1)C(=O)O 36976568 AIXWQIITOJSWRH-QMMMGPOBSA-N 310.306 1.099 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ncn1 525132063 LLMZDRGWVJDRRS-QJPTWQEYSA-N 316.361 1.287 0 40 DDAB O=C(NCCN1CCCCCC1)c1ccc(-n2cnnn2)cc1 35313979 YUUNSWYROSBRFN-UHFFFAOYSA-N 314.393 1.268 0 40 DDAB Cc1noc([C@H](C)OC(=O)c2sccc2-n2cnnn2)n1 78985969 UIJFEELJSGHVSP-LURJTMIESA-N 306.307 1.333 0 40 DDAB C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cnn(C)c1 74473282 VIJLFHOZVWIAMV-FZMZJTMJSA-N 318.381 1.678 0 40 DDAB CC(=O)Nc1nc(C2CN(C(=O)c3ccncc3)C2)cs1 72368267 DSHIXONDBHCEFB-UHFFFAOYSA-N 302.359 1.736 0 40 DDAB CCc1noc([C@@H]2CCCN(C(=O)c3ccnn3CC)C2)n1 41122293 UYHUFWZYDUAELS-LLVKDONJSA-N 303.366 1.868 0 40 DDAB CN(C)c1ccc([C@H]2CN(C(=O)c3cncs3)CCO2)nc1 72388098 RKIQNOLQCRTIEL-CYBMUJFWSA-N 318.402 1.818 0 40 DDAB O=C(O)CN(C(=O)Cc1ccc2c[nH]nc2c1)C1CCOCC1 563957247 BNACOULDMWYLPF-UHFFFAOYSA-N 317.345 1.198 0 40 DDAB COC[C@@](C)(O)CNC(=O)c1ccc(OC(F)(F)F)cc1 75170441 KKDMJFUDOJMMKY-LBPRGKRZSA-N 307.268 1.712 0 40 DDAB COc1ccc(NC(=S)NCCCN2CCOCC2)cn1 47807125 ALCPNGMYUJKBSK-UHFFFAOYSA-N 310.423 1.099 0 40 DDAB CCOCCN1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 69700554 YFHRLNZNMUDJBJ-MRXNPFEDSA-N 311.470 1.432 0 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96403796 VJIAGHPUDPRHLX-UHFFFAOYSA-N 303.387 1.657 0 40 DDAB COC(=O)[C@H](NC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F 95446422 ISKYJPYLSFYJLO-CYBMUJFWSA-N 309.272 1.261 0 40 DDAB CC(C)OCCS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 96444903 SSNYDELWCYFHAM-ZDUSSCGKSA-N 304.456 1.348 0 40 DDAB O=C1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc2N1 96243925 UPFUOLRGPOKTRV-UHFFFAOYSA-N 322.368 1.993 0 40 DDAB COCCC(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 247893310 ULBLVRILKZGZHQ-ZDUSSCGKSA-N 306.362 1.114 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1 248319327 QBAAYTJNDVIWIZ-AAVRWANBSA-N 313.309 1.306 0 40 DDAB Cc1cc(CN2Cc3ccnn3[C@@H](C(=O)NCC3CC3)C2)no1 247936630 SNCDKWUQIPAWJW-OAHLLOKOSA-N 315.377 1.263 0 40 DDAB CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1nccn3ccnc13)CC2 245316850 KWGQDGWWKNZJAB-KBPBESRZSA-N 313.405 1.817 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 257224639 FCRJAYXFKZCQHH-QWHCGFSZSA-N 312.439 1.046 0 40 DDAB CCOc1cc(C(=O)NCC(=O)OCc2ccccc2)ncn1 253406774 UXBBKBHPWATWSW-UHFFFAOYSA-N 315.329 1.349 0 40 DDAB O=C(CCc1ccc(F)cc1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257257691 KQSPNHMAEBORSK-JFIYKMOQSA-N 320.408 1.862 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CC[C@@H]([C@H](C)O)C1 540957492 VHIWQJWSPROXNC-XQQFMLRXSA-N 305.374 1.791 0 40 DDAB Cc1ncoc1C(=O)NCc1nccnc1C1CCN(C)CC1 257205314 AYMDKVKXZLFIIW-UHFFFAOYSA-N 315.377 1.512 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 257310375 UEVPAYJNNQXNSF-CYBMUJFWSA-N 324.388 1.869 0 40 DDAB C[C@@H]1CC[C@H](Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H]1C 253369753 HUDZUIDOBRFBPG-KFWWJZLASA-N 320.437 1.979 0 40 DDAB COCCC(=O)N1CCNC[C@H]1c1ccc(OC(C)C)cc1 257320818 VYTZDVJNFMDABD-INIZCTEOSA-N 306.406 1.983 0 40 DDAB O=C(CCc1cccnc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257279337 OGDGAMPJPMFVST-IAGOWNOFSA-N 312.369 1.665 0 40 DDAB CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2nc(C)c[nH]2)c1C 257323210 WJEDWCKHYVXVRB-LBPRGKRZSA-N 323.422 1.769 0 40 DDAB CCn1nc(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)cc1C 257236408 HCAFFSXVTOMQPJ-CYBMUJFWSA-N 303.366 1.457 0 40 DDAB Cc1cccc(N2CCC[C@H](NC(=O)CCn3ccnc3)C2)n1 257260744 LEDOOUVBOSDYHK-HNNXBMFYSA-N 313.405 1.762 0 40 DDAB CS(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678754 DLECRJJNWJVQFW-UHFFFAOYSA-N 307.375 1.433 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NC2CCC2)C1 585095969 HRIUPCFCIRGYNE-SWHYSGLUSA-N 302.378 1.091 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)c1ccn(C)c(=O)c1)OCO2 37170393 RQUYZVZJHNXFLR-UHFFFAOYSA-N 314.297 1.569 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 49864800 OFGAMNCNMYKILX-LXOKAJLYSA-N 301.751 1.727 0 40 DDAB O=C(NC[C@@H]1CC=CCC1)N1CCN(Cc2ccon2)CC1 73885073 OADOWYRYCBENLQ-CQSZACIVSA-N 304.394 1.858 0 40 DDAB Cn1cc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)cn1 74392127 RLVAXDVPQUPAKX-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB CCN1OC2(CCN(Cc3cnc4ccccn34)CC2)CC1=O 1549161951 LREISXCFZMDLJB-UHFFFAOYSA-N 314.389 1.853 0 40 DDAB Cn1nccc1CN1CCC2(CC1)NC(=O)c1ccccc1O2 12146035 ZRVUVMNPVGZBQM-UHFFFAOYSA-N 312.373 1.535 0 40 DDAB C[C@@H]1CCC[C@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 15274351 TXFYYWHRTDECTR-KOLCDFICSA-N 308.330 1.690 0 40 DDAB biogenic,in-vitro O=C(NCc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1F 19347782 ANTFOEORSDPQHN-UHFFFAOYSA-N 316.336 1.439 0 40 DDAB Cn1cnc(S(=O)(=O)NC[C@H]2CCCN2c2ccccc2)c1 207993828 UZQQBCRWBLNHPX-CQSZACIVSA-N 320.418 1.367 0 40 DDAB CN(CC1CN(c2ncnc3sccc23)C1)C(=O)C1CC1 1888844088 IGWVYCNDUVLPNF-UHFFFAOYSA-N 302.403 1.996 0 40 DDAB Cc1nc(N2CCN(S(C)(=O)=O)CC2)cc(C(C)(C)C)n1 1888844373 MZADQUCMLUAWTA-UHFFFAOYSA-N 312.439 1.164 0 40 DDAB O=C(N[C@H]1CCN(C2CCOCC2)C1)c1ccc2c(c1)OCO2 1565520510 WKKFQFJQFRHHIV-ZDUSSCGKSA-N 318.373 1.398 0 40 DDAB COc1ccc(CC(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 5313310 SNIIILZOOMEBIT-UHFFFAOYSA-N 323.352 1.791 0 40 DDAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)[C@H]1CCOC1 575612317 LIYUGASPOQVCEJ-KSSFIOAISA-N 319.401 1.454 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 585149623 CSFYQSBMLACHNW-ZDUSSCGKSA-N 306.391 1.502 0 40 DDAB Cc1cc(CN(C)C2CN(c3ccc4nnc(C)n4n3)C2)no1 585593735 ZICDMVSKCLTYFA-UHFFFAOYSA-N 313.365 1.050 0 40 DDAB CCCN(CCO)CC(=O)NCCCSc1ccccc1 40012066 JAGHYRWTTCQPHJ-UHFFFAOYSA-N 310.463 1.989 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCn2c1nc1ccccc12 30793960 DXGKQWPWQGIIOA-NSHDSACASA-N 324.340 1.794 0 40 DDAB O=C(NCc1ccccc1F)C(=O)Nc1n[nH]c2ncccc12 40267785 CKALXEGSHMFCGU-UHFFFAOYSA-N 313.292 1.352 0 40 DDAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCC[n+]1ccccc1 100587380 KAJVHSYIMJGDTK-KGLIPLIRSA-N 305.785 1.882 0 40 DDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC[C@@H](O)C1 40488100 LLZSHHVLZBNYIE-LLVKDONJSA-N 324.764 1.049 0 40 DDAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 40477543 ISMKHIKYELZFPQ-GFCCVEGCSA-N 322.361 1.599 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCc1ccc2c(c1)OCO2 40477885 XUTDSNBBDRSUCP-UHFFFAOYSA-N 315.373 1.667 0 40 DDAB CC(C)COCCC(=O)Nc1cccc(-c2nnnn2C)c1 31749905 XNOYZAZDRCTULV-UHFFFAOYSA-N 303.366 1.878 0 40 DDAB Cn1cc(C(=O)Nc2ccncc2)c(C(=O)Nc2ccncc2)n1 20616898 PNVBXXBVPIDFJJ-UHFFFAOYSA-N 322.328 1.715 0 40 DDAB CN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCO2 41231654 FRQGRIATKOJKBZ-UHFFFAOYSA-N 318.398 1.880 0 40 DDAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1nc2ccccc2s1 32912460 ZXPGDXWBASTHIN-WPRPVWTQSA-N 308.384 1.446 0 40 DDAB CC(C)S(=O)(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 53645891 CRYRUJKSSPWARI-UHFFFAOYSA-N 310.419 1.749 0 40 DDAB O=C(c1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1 12323700 WQTDUSJIJHKVQE-UHFFFAOYSA-N 308.345 1.315 0 40 DDAB Cn1ncc2c(=O)[nH]c(NC[C@@](C)(O)c3ccsc3)nc21 77236453 GKMDGBUASKMQGZ-CYBMUJFWSA-N 305.363 1.038 0 40 DDAB Cc1noc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 104292625 ITHMNJNRZOAEFD-ZDUSSCGKSA-N 314.345 1.043 0 40 DDAB CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 813587 WGEDUHRKNJSBJL-SNVBAGLBSA-N 310.375 1.136 0 40 DDAB C[C@](N)(CC(O)(C(F)(F)Cl)C(F)(F)Cl)C(=O)O 1636988 OMRIVBPYBDNNKV-BYPYZUCNSA-N 302.051 1.573 0 40 DDAB COC(=O)c1ccc(COC(=O)CN(C)c2ncccn2)o1 23173317 JMEMVQDHEGZSDL-UHFFFAOYSA-N 305.290 1.036 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4652625 WGGDZVMAHDSLOT-MKHNBGRSSA-N 321.354 1.996 0 40 DDAB Cc1nnc(S[C@H](C)C(=O)NC(N)=O)n1-c1ccccc1 6109400 OSEFYSSVKMHINY-MRVPVSSYSA-N 305.363 1.251 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)Cc1ccc(OC)cc1 6607567 VNGZBSIFKYCTAK-UHFFFAOYSA-N 308.334 1.017 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 7929541 CMQQBOKUNACDIX-WJUUCBRBSA-N 315.325 1.609 0 40 DDAB COc1ccccc1[C@H]1c2c(C)nnc(O)c2Nc2nnnn21 10298399 JNNQHDROKMVTLL-LBPRGKRZSA-N 311.305 1.180 0 40 DDAB CS(=O)(=O)NCCN1CC[C@@H](Oc2ccccc2Cl)C1 95973188 WPHAHFIISTVVSC-LLVKDONJSA-N 318.826 1.342 0 40 DDAB CCc1nc([C@@H](C)N(CC(=O)OC)CC(=O)OC)cs1 95946504 UKRBEEJTYZNDJN-SECBINFHSA-N 300.380 1.415 0 40 DDAB Cc1nccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)n1 55838979 WNHXULWUPCOKAZ-AWEZNQCLSA-N 324.384 1.992 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCC(=O)NC1)CC2 47947167 LFUDLSAXJYLRKL-GFCCVEGCSA-N 318.373 1.115 0 40 DDAB Cc1nc(CC(=O)N2CCOC[C@H]2c2cccn2C)cs1 97144157 UJDWYTUFNLNXTA-AWEZNQCLSA-N 305.403 1.933 0 40 DDAB Cc1ccc(CCC(=O)N2CCN(CCO)CC2)cc1Cl 35186857 UDMPNEWHFPBDIU-UHFFFAOYSA-N 310.825 1.718 0 40 DDAB O=C(NC[C@H]1COc2ccccc2O1)c1cnn2cccnc12 44033911 OLVYBTYWQLBLQJ-NSHDSACASA-N 310.313 1.299 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)NCC1(c2ccccc2)CC1 44157606 CVWYFMUSYVKFQT-UHFFFAOYSA-N 322.368 1.344 0 40 DDAB Cn1ncc2c(=O)[nH]c(NCCc3ccc4c(c3)OCO4)nc21 57840920 SOJXXELOMCMJJO-UHFFFAOYSA-N 313.317 1.040 0 40 DDAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H](C)O1 12694849 USUAHKWMNYETHB-TUAOUCFPSA-N 305.378 1.222 0 40 DDAB C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCS1 97163403 RNCVPSNVHSEMGN-ZBFHGGJFSA-N 321.490 1.843 0 40 DDAB C[C@@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccco1 27632683 NFNGCHGCGRIBCZ-CYBMUJFWSA-N 315.377 1.069 0 40 DDAB COCCN1CCCN(C(=O)c2cnc3ccccc3n2)CC1 48299729 PTWOOXPIBNBZPM-UHFFFAOYSA-N 314.389 1.424 0 40 DDAB COc1ccc(CN(C)C(=O)[C@@H](C)n2cncn2)cc1OC 44908769 XAIIFOSLCZKQDQ-LLVKDONJSA-N 304.350 1.515 0 40 DDAB CCn1cnnc1CNC(=O)N(C)Cc1ccc(F)c(F)c1 44970853 QDILWMPJGPRXIU-UHFFFAOYSA-N 309.320 1.918 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(CCC(C)C)CC2)on1 44949881 WTIITMPBXQLVAE-CQSZACIVSA-N 308.426 1.974 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCO[C@H](C)C1 44950190 ALPHTWGZUAKHDN-LLVKDONJSA-N 302.338 1.223 0 40 DDAB Cc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)o1 57065747 UMNRUSPITVRVIJ-UHFFFAOYSA-N 305.422 1.688 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2c(c1)OCCCO2 58367071 PVJKDWYCRRRDIW-YPMHNXCESA-N 318.373 1.574 0 40 DDAB COc1c(CNCCN2CCc3ccccc3C2)c(C)nn1C 58393381 RGAGSCPYAAUTRT-UHFFFAOYSA-N 314.433 1.885 0 40 DDAB CCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 58392318 AHAUCEYOJAHKAH-CQSZACIVSA-N 310.419 1.206 0 40 DDAB Cc1ccccc1OCCCC(=O)NC[C@@H]1CN(C)CCO1 58331041 WCNATKFSJYHVCF-OAHLLOKOSA-N 306.406 1.601 0 40 DDAB Cc1ccc(NC(=O)NC(=O)CSc2nncn2C)c(C)c1 3395106 NQSGJQGQESHRFB-UHFFFAOYSA-N 319.390 1.872 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N3CCOC[C@H]3C)CC2=O)c1C 46258534 DKHLIOQEXASLSA-HIFRSBDPSA-N 316.401 1.904 0 40 DDAB C[C@@H]1CN(C(=O)/C=C/c2nc3ccccc3[nH]c2=O)C[C@@H](C)O1 12942979 FQMKWZWKRKWIME-IDDPWSFUSA-N 313.357 1.572 0 40 DDAB CC(C)[C@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 5053452 QDZORCXREJGBKR-JTQLQIEISA-N 321.406 1.621 0 40 DDAB Cc1nc2ccccc2c2nc(NC(=O)c3cnsn3)nn12 6219011 OCNXHDRYSGKVAT-UHFFFAOYSA-N 311.330 1.690 0 40 DDAB Cc1nccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 65512028 DPZRUDMSAFPJIV-HNNXBMFYSA-N 310.357 1.488 0 40 DDAB CCn1cnnc1CNCc1c(C(C)C)nn(C)c1N(C)C 65625027 OXLVZOQTVYRKNN-UHFFFAOYSA-N 305.430 1.511 0 40 DDAB CSc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O 4516821 VWRYGPDUIPICJZ-UHFFFAOYSA-N 307.375 1.677 0 40 DDAB CC(C)(C)c1csc(CNC(=O)[C@H]2C[C@@H]2c2nc[nH]n2)n1 95465213 GMVSWYWFDIXRIN-IUCAKERBSA-N 305.407 1.979 0 40 DDAB COC(=O)c1ccc(NC(=O)N[C@H](C(=O)OC)C(C)C)cc1 5426322 ZQVJXEONDPJJGE-LBPRGKRZSA-N 308.334 1.792 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc(-c2ccccn2)n[nH]1 96116661 AEALRTKNTDRLQZ-UHFFFAOYSA-N 319.328 1.444 0 40 DDAB CC(C)(C)c1nn2c(-c3ccc(Cl)cc3)nnc2n(N)c1=O 4753505 QAHXRFFMDUJEME-UHFFFAOYSA-N 318.768 1.618 0 40 DDAB O=c1cc(-c2ccccc2)nc(NCCN2CCOCC2)[nH]1 19793987 WYONVKPDRFQFFY-UHFFFAOYSA-N 300.362 1.181 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66485936 UKBONEIGMDXGNE-MRXNPFEDSA-N 316.401 1.849 0 40 DDAB Nc1nccnc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 66457944 AFINTUXGBWXXKP-UHFFFAOYSA-N 315.352 1.915 0 40 DDAB Cc1ccccc1N1CCN(C(=O)NCCN2CCCC2)CC1 9322617 NUWCBFQWFRJJLK-UHFFFAOYSA-N 316.449 1.922 0 40 DDAB Cc1ccc(C(C)C)cc1OCC(=O)NCC(=O)NC1CC1 6989952 AFVDHRDZQRSNOF-UHFFFAOYSA-N 304.390 1.892 0 40 DDAB Cc1ccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15645383 JIPJCATVFORLOP-UHFFFAOYSA-N 309.329 1.988 0 40 DDAB Cc1ccc(CCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C)c1 96408583 NVVRUBCSQIZVHG-OAHLLOKOSA-N 324.446 1.386 0 40 DDAB CCOc1ccc([C@H](O)CCN[C@@H](CC(=O)O)C(=O)O)cc1 27517038 SASDNCPIASGEEB-QWHCGFSZSA-N 311.334 1.026 0 40 DDAB CCNC(=O)NC(=O)CNC1(c2ccc(F)cc2)CCOCC1 70039550 FIOCTGMDFQEFIU-UHFFFAOYSA-N 323.368 1.267 0 40 DDAB CO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 71896818 SOYNKBJJXLXKMF-ZBFHGGJFSA-N 306.406 1.081 0 40 DDAB Cc1csc(N2CCN(CCS(C)(=O)=O)C[C@@H]2C)n1 71876903 KQTQCIIUCLLFJU-NSHDSACASA-N 303.453 1.007 0 40 DDAB C[C@H](NC(=O)N[C@@H]1CCc2c(O)cccc21)c1nncn1C 71920306 GIDBMPYJBKOJPL-JOYOIKCWSA-N 301.350 1.568 0 40 DDAB CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 71914185 DJZUFVHKCQEYPW-NJZAAPMLSA-N 304.390 1.711 0 40 DDAB CCCCOC(=O)[C@@H](C)OC(=O)CCn1c(C)csc1=O 71922242 CAFZKYKXHRRVAO-LLVKDONJSA-N 315.391 1.883 0 40 DDAB CCCNC(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 69896050 IFTKZTFNZUUROR-UHFFFAOYSA-N 311.407 1.536 0 40 DDAB COC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 8765180 IVZGSKFAUQWZDJ-UHFFFAOYSA-N 302.330 1.675 0 40 DDAB biogenic C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CCN1 88059621 LRBLPIJGUJBGFE-SECBINFHSA-N 319.224 1.432 0 40 DDAB CS(=O)(=O)C1(C(=O)Nc2cnc(C3CC3)nc2)CCCC1 95947542 WDUHPFRQXVSJEZ-UHFFFAOYSA-N 309.391 1.650 0 40 DDAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnn1C 84013773 GIAIQOUFZIHWDJ-UHFFFAOYSA-N 312.333 1.902 0 40 DDAB COc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)cc1-n1cnnn1 97081391 KKGYGEPLNKUWJW-GHMZBOCLSA-N 301.350 1.684 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270634 OZVIEDNRSBAPOW-ZDUSSCGKSA-N 316.409 1.578 0 40 DDAB COc1ccc(COCC(=O)N[C@@H]2CCc3nccn3C2)cc1 72278659 IUOJUGRXNHWUGJ-CQSZACIVSA-N 315.373 1.540 0 40 DDAB CS(=O)(=O)CCN(C(=O)Nc1cccc(F)c1)C1CC1 89484284 PDNYBOIBTWXRHQ-UHFFFAOYSA-N 300.355 1.867 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125332 XBQQEELXRQLFMB-LLVKDONJSA-N 312.329 1.650 0 40 DDAB O=c1[nH]c(N[C@@H]2CCC[C@@H]2O)nc2c1cnn2-c1ccccc1 76063175 IZLDPRBREDYQAB-OLZOCXBDSA-N 311.345 1.434 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20611993 FWIIFLQOZCZMBY-UHFFFAOYSA-N 324.808 1.955 0 40 DDAB CCn1ccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)O)n1 1550924160 WRVKAFQMZYUREN-AWEZNQCLSA-N 315.329 1.564 0 40 DDAB CCN(C(=O)[C@H](C)N)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393110 LBMAWUIRMVOMKZ-ZFWWWQNUSA-N 319.405 1.593 0 40 DDAB C[C@@H](Oc1cccnc1)C(=O)N1CCC(c2nc(O)n[nH]2)CC1 539926551 SPNUQIBBCIJWOY-SNVBAGLBSA-N 317.349 1.079 0 40 DDAB CCOc1cc(S(=O)(=O)Nc2nnc[nH]2)ccc1Cl 72414452 HUTYHLJFFNJZLA-UHFFFAOYSA-N 302.743 1.658 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1COCCO1)CC2 30879760 PZMAHUBIZFVPRY-HNNXBMFYSA-N 307.346 1.004 0 40 DDAB Cn1c(=O)[nH]cc(C(=O)Nc2ccccc2-c2ccccc2)c1=O 70634688 CKMOUZOXEKSYJE-UHFFFAOYSA-N 321.336 1.993 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCC[C@H](O)C1CCOCC1 217916423 ZHYNIKWOUOUBIQ-CJNGLKHVSA-N 307.390 1.748 0 40 DDAB Cn1ccnc1[C@@H]1CCN(C[C@H](O)COc2ccccc2F)C1 565841258 ORQCCRORYPWSLI-KGLIPLIRSA-N 319.380 1.788 0 40 DDAB c1ccc(-c2cc(CNCCN3CCCC3)c3nnnn3c2)cc1 72392326 WTCYUAFEXFIIGB-UHFFFAOYSA-N 322.416 1.977 0 40 DDAB Cc1cc(=NC[C@@H]2C[C@H](F)CN2Cc2cnoc2C)[nH]cn1 566824815 XEQYYYIHRXGTSN-KBPBESRZSA-N 305.357 1.528 0 40 DDAB NC(=O)c1ccc(N2CCN(CCN3CCCCC3)CC2)cc1 77317790 BBRBWGPDLMIYGS-UHFFFAOYSA-N 316.449 1.393 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 71285432 TYCBEKVUELNSMY-QWHCGFSZSA-N 316.357 1.874 0 40 DDAB CCOC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 48374167 BNTJFGKLAKXXGI-UHFFFAOYSA-N 306.410 1.594 0 40 DDAB CC[C@H](C(N)=O)N1CCN([C@H](C)c2ccccc2OC)CC1 69739754 MHVNVUUXNVBBAG-UKRRQHHQSA-N 305.422 1.638 0 40 DDAB O=C(O)[C@H]1C[C@@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058307 UDJQTENOUCHAHR-ZARQTOOBSA-N 307.390 1.639 0 40 DDAB O=C1CN(C(=O)COc2cc(Cl)ccc2Cl)CCN1 48324667 PKMBKCQDUDAUFL-UHFFFAOYSA-N 303.145 1.331 0 40 DDAB O=C(C[C@@H]1CSCCN1)NCCc1ccc(F)cc1F 132622592 GIOFAUYSTHFBLH-GFCCVEGCSA-N 300.374 1.719 0 40 DDAB O=C1CC[C@H](C(=O)N2CCS[C@@H](c3ccccc3)C2)CN1 96409962 YKFIPVCNWMUQDT-UONOGXRCSA-N 304.415 1.829 0 40 DDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1 96062032 HIQYKCKTGIVVDU-CQSZACIVSA-N 303.454 1.417 0 40 DDAB COC[C@]12COC[C@H]1CN(C(=O)Cc1ccc(F)cc1C)C2 96108650 BVTUWRIBYDVXSB-RHSMWYFYSA-N 307.365 1.798 0 40 DDAB Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@@H]3C2)cs1 96066177 IEBBWCCRTCTRTM-AEGPPILISA-N 323.462 1.956 0 40 DDAB CN1CCCN(CCNS(C)(=O)=O)c2cc(Cl)ccc21 96424575 RCAQFPLEWPQUCM-UHFFFAOYSA-N 317.842 1.536 0 40 DDAB COCC(=O)N1CCC2(CC[C@H]2NC(=O)c2ccn(C)c2)CC1 96051732 QUDKSNWVNOTRBJ-CQSZACIVSA-N 319.405 1.173 0 40 DDAB CN(C)C(=O)CN1CCC2(CC1)CCN(c1ncccn1)CC2 96158466 HNFTVAXTYXMNHS-UHFFFAOYSA-N 317.437 1.247 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nn(C)c2c1COCC2 96103978 APQJCKZGDVLPSG-GFCCVEGCSA-N 315.373 1.577 0 40 DDAB Cn1cccc1[C@H]1COCCN1Cc1nnnn1-c1ccccc1 97379628 VOTBRMARFYGUGQ-MRXNPFEDSA-N 324.388 1.574 0 40 DDAB O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)C2 96046604 UKAMDMOUTNNLQH-UHFFFAOYSA-N 324.388 1.399 0 40 DDAB CN1C[C@H]2[C@H](CC(=O)NCCc3cccs3)COC[C@H]2C1 97953561 JCCKMCMLTFUIIP-NFAWXSAZSA-N 308.447 1.621 0 40 DDAB CCc1n[nH]c(=S)n1CCNC(=O)[C@@H]1CCCCN1CC 96440900 MYYOGHRDLBNAKU-NSHDSACASA-N 311.455 1.494 0 40 DDAB O=C(O)C1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1 96515939 NIFFXVAWVSZXSH-UHFFFAOYSA-N 315.255 1.444 0 40 DDAB c1cnc(N2CCc3ncnc(-c4ccncc4)c3CC2)nc1 96255239 NRLFCEKLLZJUQF-UHFFFAOYSA-N 304.357 1.934 0 40 DDAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ncc(F)cn1 96184581 DXQFJHXHWZYQLB-NWDGAFQWSA-N 319.365 1.566 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)c3ccc(C)cn3)CC2)CN1C 96206565 AAMKHXWFNJTLSM-OAHLLOKOSA-N 317.433 1.963 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)o1 96057694 QEYOFQLZZCSCTC-NUEKZKHPSA-N 320.389 1.731 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)cc1 96057598 JIHMZVDNIVGDHQ-USXIJHARSA-N 318.417 1.763 0 40 DDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2C2CCCCC2)O1)N1CCOCC1 96187247 RARPKQIGDUXZFR-BRWVUGGUSA-N 322.449 1.800 0 40 DDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 245226753 KAXCZSAKZGTKSB-APYUEPQZSA-N 319.744 1.535 0 40 DDAB CN1CC[C@H](NC(=O)NCC2(CO)CCC2)[C@H]1c1ccccc1 248500952 SYMFFWPLLUDFJP-JKSUJKDBSA-N 317.433 1.894 0 40 DDAB COCC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC(=O)c3ccccc3O1)C2 247844171 PCJFIKYIBTUGTN-KCTSRDHCSA-N 301.342 1.800 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1 257252299 JUGTZFZMWSENAM-QGZVFWFLSA-N 310.357 1.022 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)on1 257255291 KGXXRJSKBZNZKD-HOCLYGCPSA-N 308.378 1.629 0 40 DDAB O=C(C1CCCCC1)N1CCn2c(nnc2[C@H]2CCCN2)C1 257248777 JFDRTXAFLKWWFF-CYBMUJFWSA-N 303.410 1.625 0 40 DDAB CN1C(=O)CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 252498319 QYKCWNGEWHEQTR-UHFFFAOYSA-N 308.403 1.770 0 40 DDAB Cc1nc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)cs1 257300821 RVVKMIFPDGEHBM-CQSZACIVSA-N 320.418 1.781 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257297548 RHTDAESRMQCMBZ-GFCCVEGCSA-N 316.361 1.736 0 40 DDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]2C[C@@]1(C)O 257272948 NENUYNYGAQRAEC-KLZCAUPSSA-N 324.446 1.338 0 40 DDAB CC(=O)N1CCC(c2cc(N3C(=O)OC[C@H]3C)nc(C)n2)CC1 257218953 DEZOEZJOGMOFDG-SNVBAGLBSA-N 318.377 1.856 0 40 DDAB CC(=O)Cn1c(=N)n(CCN2CCCCC2)c2ccccc21 367627960 ASFSKLCPAUTFMM-UHFFFAOYSA-N 300.406 1.997 0 40 DDAB CC[C@@](C)(O)Cc1cn([C@H](Cc2ccccc2)C(=O)OC)nn1 585141674 FCFFIYFQVKAYCC-NVXWUHKLSA-N 317.389 1.938 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cncn21 585096088 PPUJVELAJJHPHV-HNNXBMFYSA-N 323.356 1.308 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccccc1F 585094912 UANBQAWZTDYJRM-ZDUSSCGKSA-N 317.364 1.702 0 40 DDAB COc1cc(N2CCN(c3ncnc(C)c3C)CC2)ncn1 882191594 MWFOWUVYHQNLND-UHFFFAOYSA-N 300.366 1.219 0 40 DDAB Cc1cc(CN(C)C(=O)Cn2ccc(C(F)(F)F)n2)no1 44916574 JUQDIGSLAVPFDU-UHFFFAOYSA-N 302.256 1.857 0 40 DDAB O=C(c1cncc(F)c1)N1CCC(COc2ncccn2)CC1 1775996003 QIIFANSADZUONT-UHFFFAOYSA-N 316.336 1.942 0 40 DDAB COc1ccc(CC2CCN(CC(=O)NC(N)=O)CC2)cc1 58217443 CLIPBAIBBQAUSJ-UHFFFAOYSA-N 305.378 1.145 0 40 DDAB C[C@H]1CN(c2ccc(NC(=O)NCCCO)cn2)C[C@@H](C)O1 61494704 JSXKXAWOZKWFIR-TXEJJXNPSA-N 308.382 1.199 0 40 DDAB CCc1ncncc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 74683103 YZESDUDKQMRWOO-MRXNPFEDSA-N 324.384 1.964 0 40 DDAB CC(C)(C)OC(=O)N(CCC(=O)O)CCN1CCOCC1 5066712 OLULJKIDTAQURJ-UHFFFAOYSA-N 302.371 1.030 0 40 DDAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 5954028 UVYYIIZKCYCXCY-NSHDSACASA-N 314.407 1.376 0 40 DDAB COCCNc1ncc(-c2cnccn2)c([C@H]2CCCO2)n1 12142252 GNMWMEYRINKBRM-CYBMUJFWSA-N 301.350 1.843 0 40 DDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccccc3C)N2N1 14607184 VSWXMGIVSRCSAE-LBPRGKRZSA-N 313.361 1.250 0 40 DDAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 16610242 YMAYLMGRXMXEAB-ZDUSSCGKSA-N 312.435 1.920 0 40 DDAB Cc1cc(N2CCC(CNC(=O)N3CCNC3=O)CC2)ccn1 253402140 NZHMALOAWOUSJF-UHFFFAOYSA-N 317.393 1.341 0 40 DDAB CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 3323212 JPTSOSGJPDNHMB-UHFFFAOYSA-N 320.317 1.148 0 40 DDAB CCc1ncnc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1F 1888853276 LROVGGXLMXAKEU-NEPJUHHUSA-N 314.364 1.964 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC(N)=O)C(C)C)c1C 14074752 ZRUJENJXLXAYPA-UHFFFAOYSA-N 323.393 1.187 0 40 DDAB CCCCC(=O)NCc1nnnn1-c1ccc(OCC)cc1 9570431 JCLISMXDWUONRK-UHFFFAOYSA-N 303.366 1.867 0 40 DDAB COc1nn(C)cc1-c1nnc(SCc2cccnc2)n1C 12422581 SLOZXJVARYECGX-UHFFFAOYSA-N 316.390 1.912 0 40 DDAB CC(C)CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19446413 UFBYPWRJEQIBEJ-ZDUSSCGKSA-N 302.422 1.874 0 40 DDAB CNC(=O)c1cccc(CNC(=O)Cc2c(C)nn(C)c2C)c1 25625920 CKIIVJBMWNNIOG-UHFFFAOYSA-N 314.389 1.255 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=S)NC[C@H]2CCCO2)C1 50252901 GAPYKFRGIIKXQC-QWHCGFSZSA-N 313.467 1.278 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1nnc2n1CCC2 40486283 LBSDXPCYLMABQU-BONVTDFDSA-N 314.345 1.069 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ncccc2O)cc1 40472897 PGWHSAODNDIRDI-UHFFFAOYSA-N 321.358 1.006 0 40 DDAB O=C([C@@H]1CSCN1C(=O)C1CC1)N1CCc2ccccc21 40556204 YBZVWZCARDHHTQ-AWEZNQCLSA-N 302.399 1.887 0 40 DDAB CC[C@@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1 40514069 WZPPZBKBVTXFGX-CYBMUJFWSA-N 316.361 1.702 0 40 DDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)C1 20567632 XYORBAADSIWBCM-UHFFFAOYSA-N 304.325 1.260 0 40 DDAB CC(=O)C(Sc1nnnn1-c1ccc(Cl)cc1)C(C)=O 101403444 MMJHNULVILGKBJ-UHFFFAOYSA-N 310.766 1.954 0 40 DDAB CC(C)N(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccn1 52218522 GFFHZQYRWAWOCV-UHFFFAOYSA-N 304.394 1.622 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1F 102304038 ZGBHXTBIOMZKTE-STQMWFEESA-N 316.332 1.393 0 40 DDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)CO 32803291 RFBROCHCUGUJAC-DGCLKSJQSA-N 310.419 1.035 0 40 DDAB CC(C)n1nnnc1SCc1nc2ccsc2c(=O)[nH]1 21733687 XSRJOTSUKVVANC-UHFFFAOYSA-N 308.392 1.844 0 40 DDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CCOC1 41378746 GEMVDSWERXTTIF-DOTOQJQBSA-N 318.417 1.523 0 40 DDAB CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2ccccc2)CC1 22699130 RRWSWNQYJWFDGM-AWEZNQCLSA-N 303.406 1.246 0 40 DDAB CC(C)n1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C 352299 NJDWKHCSVUPDAI-UHFFFAOYSA-N 319.409 1.395 0 40 DDAB CC(C)(C)S(=O)(=O)CCNC(=O)[C@]1(C)CC1(Cl)Cl 78679660 YALRNKDZFAQYGK-JTQLQIEISA-N 316.250 1.900 0 40 DDAB C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1N(C)C 78894491 HWRNCRDFFIDYSY-WCQYABFASA-N 300.358 1.815 0 40 DDAB Cc1cccc2c(CCNS(=O)(=O)c3c[nH]cn3)c[nH]c12 79015811 VDVMPHRWWCGMQV-UHFFFAOYSA-N 304.375 1.720 0 40 DDAB CN1C(=O)N(C)[C@H]2SC(NCc3ccccc3)=NN2C1=O 2042599 HHMFIFCYTBFEDB-CYBMUJFWSA-N 305.363 1.497 0 40 DDAB C[C@@H]1CNCCN1S(=O)(=O)c1cccc(Br)c1 54371128 KQGMOPMYTUHUOI-SECBINFHSA-N 319.224 1.432 0 40 DDAB CC(C)[C@H](CNC(=O)c1n[nH]c2ccccc12)N1CCOCC1 42648858 JTTRUUXEQHQIQH-HNNXBMFYSA-N 316.405 1.650 0 40 DDAB CC(=O)N1CCCN(C(=O)CCc2c(C)nn(C)c2C)CC1 55199177 JUXJDDFDGFWQQM-UHFFFAOYSA-N 306.410 1.050 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cccc(S(C)(=O)=O)c1 25045156 UAEISUSYFIVQMA-UHFFFAOYSA-N 307.375 1.096 0 40 DDAB CC(=O)[C@@H]1[C@H]2[C@H](C(=O)[C@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N12 3947527 JMYRQFURESEJJS-SVMIPSPUSA-N 311.337 1.416 0 40 DDAB CN(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100549044 AMIHHHFIWGMKSA-XUXIUFHCSA-N 302.330 1.345 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100412533 MCJBDBZNSLAVGZ-MPKXVKKWSA-N 308.403 1.977 0 40 DDAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 35655478 HCGMWMKDFZHKDS-UHFFFAOYSA-N 313.357 1.920 0 40 DDAB N=c1c2ccsc2[nH]c(=O)n1NC(=O)c1ccc(Cl)cc1 102427963 OESXENFEJIZBMF-UHFFFAOYSA-N 320.761 1.908 0 40 DDAB CC(=O)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1 58271298 ATUNJFUSHPJRRA-UHFFFAOYSA-N 314.389 1.833 0 40 DDAB CN(C)[C@H](CNC[C@@H]1CNc2ccnn2C1)c1ccsc1 58326348 XGXPJIVDGYLXRM-TZMCWYRMSA-N 305.451 1.879 0 40 DDAB COc1ccc(NC(=O)COC(=O)c2cnccn2)c(OC)c1 3395849 KLZOUUPDEXFZJC-UHFFFAOYSA-N 317.301 1.289 0 40 DDAB CC(C)c1nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c[nH]1 76057212 UNKAADCWERHLHG-OCCSQVGLSA-N 306.410 1.326 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)N[C@]1(C)c1c(C)ccc(C)c12 104188000 YWXDPGKWWJXOIC-QZTJIDSGSA-N 315.369 1.993 0 40 DDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)n1cccn1 28511543 IOGZBXPJOWCOBS-GFCCVEGCSA-N 301.350 1.314 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCOC3)CCO2)n1 76046282 MLMYYFAHSTWZJI-QWRGUYRKSA-N 308.382 1.039 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2ccncc2)CC1 28694669 JEEWERXXFZRGMV-UHFFFAOYSA-N 317.418 1.454 0 40 DDAB Cc1ccccc1CCNC(=O)Cc1ccc(-n2cnnn2)cc1 45955140 ROTFZFOYULRTOF-UHFFFAOYSA-N 321.384 1.872 0 40 DDAB COC(=O)CCCCCCCC[C@@H](O)CN1CCOCC1 19313909 VINMFNFSNXBJTF-OAHLLOKOSA-N 301.427 1.973 0 40 DDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NOC(C)(C)C)c1 95451373 LPOQQYITRJXXLN-UHFFFAOYSA-N 300.380 1.826 0 40 DDAB c1cncc(-c2nnc3sc(-c4cccn5nnnc45)nn23)c1 13628537 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C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCNC(=O)C1 14121076 ZEPXZTPJFIBSMF-SECBINFHSA-N 313.304 1.047 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2CCC[C@H]2C(=O)N(C)C)c1 14140767 VEKLFKSCKIQOKW-HNNXBMFYSA-N 303.406 1.795 0 40 DDAB CN1CCO[C@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1 65625453 KJQADLNPITUUJT-CQSZACIVSA-N 324.388 1.534 0 40 DDAB O=C(NCCN1CCOCC1)Nc1nc2ccccc2s1 71418106 AQUCDJKBDHTPCW-UHFFFAOYSA-N 306.391 1.750 0 40 DDAB O=C(COC(=O)CNC(=O)c1ccccc1)NC1CCCC1 5716957 XDCSHSROXKMPBL-UHFFFAOYSA-N 304.346 1.018 0 40 DDAB CCCCn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425688 UXIRDKXGBWQJFY-NSHDSACASA-N 319.409 1.460 0 40 DDAB O=C1CN(c2ccccc2)C(=O)N1CC1CCS(=O)(=O)CC1 95444458 BQWJYVPOYMKPPC-UHFFFAOYSA-N 322.386 1.280 0 40 DDAB CC(=O)c1cccc(NC(=O)CCC(=O)N2CCOCC2)c1 8034368 ZQKAMNLMSXDKFV-UHFFFAOYSA-N 304.346 1.467 0 40 DDAB COC(=O)[C@@H](CO)NC(=O)c1ccc(Oc2ccccc2)cc1 8128295 ZADMVZGHKVTFSA-OAHLLOKOSA-N 315.325 1.743 0 40 DDAB CN(CC(=O)NC[C@@H](O)C1CCCCC1)C(=O)OC(C)(C)C 71799512 OVPMBMQKJZZTMH-CYBMUJFWSA-N 314.426 1.911 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CN)C1 70177213 LRURGLUHXPQSIZ-RFQIPJPRSA-N 303.472 1.268 0 40 DDAB COc1cccc(S(=O)(=O)CCN2C[C@H](C)OC[C@H]2C)c1 69433852 WUMSCGHOHWQGAE-OLZOCXBDSA-N 313.419 1.578 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)n1 69588786 GGDUCQKQLRXNCS-CYBMUJFWSA-N 320.437 1.954 0 40 DDAB CCCN1CCC(NC(=O)c2cnn(C)c2-n2cccc2)CC1 69571347 LOAUGPPRAJRQQR-UHFFFAOYSA-N 315.421 1.815 0 40 DDAB c1cc(CNC[C@@H]2CN(C3CC3)CCO2)c2c(c1)OCCCO2 69872843 VILAICZRRIFTIL-MRXNPFEDSA-N 318.417 1.801 0 40 DDAB CCNC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 71858795 YTUXMPWLZBRWLI-GFCCVEGCSA-N 311.407 1.159 0 40 DDAB Cc1cnn(CCN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 69902310 VNOPFXQUFBDAGU-INIZCTEOSA-N 316.380 1.940 0 40 DDAB CCOC(=O)c1sc(-n2ncc3c(O)ncnc32)nc1C 18200836 IUIPNHMODRUVHS-UHFFFAOYSA-N 305.319 1.463 0 40 DDAB CC1CCN(C[C@@H](O)Cn2nnc(-c3ccccc3)n2)CC1 71832854 QVFGYWABTKLKOH-OAHLLOKOSA-N 301.394 1.433 0 40 DDAB COCc1ccccc1CNC(=O)CN1CCC([C@H](C)O)CC1 71897288 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COc1ccc(OC)c(S(=O)(=O)NCc2cccc(N)c2)c1 95949504 AQVJFZXUSAXPTQ-UHFFFAOYSA-N 322.386 1.765 0 40 DDAB COC(=O)c1cc(CN2CCC[C@@H](Cc3nccn3C)C2)c[nH]1 97236846 DTKQWYOLFMSFCU-ZDUSSCGKSA-N 316.405 1.990 0 40 DDAB CCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 113934499 RTDWTIFBPRXKFH-UHFFFAOYSA-N 318.826 1.941 0 40 DDAB COC(=O)c1cn(Nc2nc3ccccc3[nH]2)cc2c(O)nnc1-2 524733620 WOVKZNBXVZDXQL-UHFFFAOYSA-N 324.300 1.627 0 40 DDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)N(C)C)[C@H]3C2)o1 306132523 LLKFQACCJZLWPS-NWANDNLSSA-N 307.394 1.306 0 40 DDAB CCN(CC)C(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408977933 ZRTKJLSWKBWTGN-UHFFFAOYSA-N 324.340 1.759 0 40 DDAB COc1cccc(N2CCN(c3nccn(C)c3=O)CC2)c1 360246625 WKGSPIDRZTZLRG-UHFFFAOYSA-N 300.362 1.116 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 72242213 WMRQLTIYCAZHJH-DZKIICNBSA-N 320.364 1.640 0 40 DDAB O=C(NCCn1cccnc1=O)c1cccc(Br)c1 667398074 QNHTWNKNNKCMGC-UHFFFAOYSA-N 322.162 1.436 0 40 DDAB CCN(CC)C(=O)N1CCN(C(=O)c2ccncc2Cl)CC1 73847784 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CN(C)CCNC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 97236904 OTZHMESVPVQXBA-HOCLYGCPSA-N 318.421 1.067 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 96521914 KEELRTVWHGKTKP-QWRGUYRKSA-N 323.208 1.278 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)Cc1ccccc1)CC2 96207431 PCUUENZNLSEOCZ-OAHLLOKOSA-N 316.401 1.230 0 40 DDAB C[C@]1(NC(=O)Cn2c(=O)cnc3ccccc32)CCCOC1 332154240 ORYYYUCYIGLXRT-INIZCTEOSA-N 301.346 1.082 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)N3CCCC3)C2)cn1 96227095 BNRMRTOHLZYYLP-CXAGYDPISA-N 314.389 1.260 0 40 DDAB CN(C)C(=O)CN1CCc2c(COCC3CC3)cncc2C1 96067361 SOCOZUXETSIZEL-UHFFFAOYSA-N 303.406 1.455 0 40 DDAB COc1ccc2c(c1)C[C@H](NCC(=O)N1CCOCC1)CC2 96493967 WTRHOBGCCXBVTC-OAHLLOKOSA-N 304.390 1.001 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C12CCCC2 96432573 HKVPIBBWQYEZMH-KBPBESRZSA-N 304.390 1.702 0 40 DDAB O=C(c1cc[nH]n1)N1CCC2(CC1)OCCNc1ccccc12 96080301 AMQWPMZDQBXMNH-UHFFFAOYSA-N 312.373 1.983 0 40 DDAB CS(=O)(=O)CCN1CCCCC[C@H]1C[C@H](O)c1ccco1 96468649 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DDAB O=C(N[C@H]1CCc2ncnn2C1)N[C@H](c1ccccc1)C(F)F 294169324 JBOLQFUZACHFSD-WCQYABFASA-N 321.331 1.899 0 40 DDAB Cc1nc2ccc(N3C(=O)N[C@@H]4CS(=O)(=O)C[C@H]43)cc2s1 575420517 CLFKJYYJVJBKDC-GHMZBOCLSA-N 323.399 1.300 0 40 DDAB CCn1ccnc1CN1CCC[C@@]1(COC)CC(=O)N(C)C 585276799 QOQASCURVJUCOT-INIZCTEOSA-N 308.426 1.362 0 40 DDAB COC[C@H]1CCn2cncc2CN1C(=O)c1cnc(C)cn1 585097023 GQKRKKKAHBRUJX-GFCCVEGCSA-N 301.350 1.043 0 40 DDAB CNC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1 72307854 UUPLTZRAVITTRU-CQSZACIVSA-N 313.405 1.847 0 40 DDAB Cc1occc1C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 44972571 PFFPHGXJRAQCDM-LBPRGKRZSA-N 314.407 1.522 0 40 DDAB CCOc1ccc(OC[C@H](O)CN2CCC(CO)CC2)cc1 46090553 XLGFQDPXARANIA-OAHLLOKOSA-N 309.406 1.529 0 40 DDAB CS(=O)(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 74118401 NCNJXMZNGQHHIF-UHFFFAOYSA-N 313.404 1.937 0 40 DDAB CCNC(=O)c1cccc(CNC(=O)Cc2c(C)noc2C)c1 40536097 KJWKZHBGOSTFLJ-UHFFFAOYSA-N 315.373 1.900 0 40 DDAB C[C@H](NCCNS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 75133857 ZNZWSJISHSHRHS-UONOGXRCSA-N 322.434 1.401 0 40 DDAB COC[C@]1(C(=O)O)CCN(c2ncnc3scc(C)c23)C1 519761571 AAUNFHPIYRRIML-AWEZNQCLSA-N 307.375 1.927 0 40 DDAB CC1(CNC(=O)N2CCC3(C2)OCCO3)Cc2ccccc2C1 91936334 YZIOJRWMRZIBAR-UHFFFAOYSA-N 316.401 1.950 0 40 DDAB NC(=O)CN1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 97236368 MMHXUKCXCJRLFO-UHFFFAOYSA-N 315.373 1.675 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@]1(C)N=C(OC)[C@@]21C 5179792 KXEAUQSNZSTHJQ-VTIANCOWSA-N 305.330 1.268 0 40 DDAB COCCC(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 12327075 DDADGRNFPGGZIP-UHFFFAOYSA-N 316.361 1.874 0 40 DDAB COC(=O)CCNC(=O)N1CCc2c([nH]c3ccccc23)C1 12898718 WLRZJWMMWTWGRK-UHFFFAOYSA-N 301.346 1.799 0 40 DDAB biogenic CCn1ncc(-c2cc(C(=O)NCc3nonc3C)no2)c1C 19524052 CEJHLZVYXRVXDS-UHFFFAOYSA-N 316.321 1.488 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1ccncc1 19575983 ZILSGYILLUEJIY-BMGDILEWSA-N 312.417 1.512 0 40 DDAB COc1ccc([C@H]2CC(=O)C[C@H](Nc3nonc3N)C2)cc1 19974025 VRIGWJVJIDTWQC-GHMZBOCLSA-N 302.334 1.978 0 40 DDAB C[C@@H]1C(=O)N(C[C@H](O)C(F)(F)F)C(=O)N1c1ccc(F)cc1 158023858 ICGVUAONGCNTDM-XCBNKYQSSA-N 320.242 1.906 0 40 DDAB Cc1nnsc1C(=O)N1CCC[C@H](Oc2cccnn2)C1 225454185 OIIXANQXVSIOJL-JTQLQIEISA-N 305.363 1.320 0 40 DDAB O=C([C@@H]1CN(c2nc(C3CC3)ns2)CCO1)N1CCCCC1 1888834702 IJTJZNYHZPYRPB-LBPRGKRZSA-N 322.434 1.633 0 40 DDAB CCc1cnc(OC2CCN(Cc3cnn(C)c3)CC2)nc1 1888843425 MRNWLDFGUUHEQN-UHFFFAOYSA-N 301.394 1.816 0 40 DDAB Cc1cnccc1OCC1CCN(C[C@@H]2CC(=O)N(C)C2)CC1 1889070538 JHQZKBNGDWUDCR-MRXNPFEDSA-N 317.433 1.959 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cc1 2037985193 AGYCGIBKMNDISN-ZFWWWQNUSA-N 318.373 1.015 0 40 DDAB O=C(O)[C@H](CC1CCC1)NS(=O)(=O)C[C@H]1CCCCO1 530472852 XYPXMYUEPKNAER-NEPJUHHUSA-N 305.396 1.118 0 40 DDAB CC1CC(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)C1 1565545149 WKVMYCIWAOJIFC-UHFFFAOYSA-N 314.451 1.353 0 40 DDAB O=C(NCc1ccsc1)C(=O)Nc1ccc2c(c1)OCCO2 13724062 MPRXXFJGXALEHH-UHFFFAOYSA-N 318.354 1.774 0 40 DDAB O=C(NCC1CC1)c1noc2c1C[C@@H](Nc1ncccn1)CC2 2055738727 MPUKPWVSSNDYMV-NSHDSACASA-N 313.361 1.574 0 40 DDAB Cc1ccc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)nn1 1775973756 SPXBWADWOGVNJB-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB O=C(Nc1cccc(Cl)c1)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585387119 NKIJGQXGXBXSSH-RYUDHWBXSA-N 319.748 1.561 0 40 DDAB CCC(C)(C)c1ccc(Oc2nn(C)c(=O)n(C)c2=O)cc1 24985322 QGQJMZCYGMBULW-UHFFFAOYSA-N 303.362 1.959 0 40 DDAB C[C@@H]1COCCN1C(=O)CCc1nc(Cc2ccccc2)no1 40529925 SLZPHISTQQLTAX-CYBMUJFWSA-N 315.373 1.840 0 40 DDAB C[C@H](C(=O)O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 51639145 CMLAUAQBBOSULU-LLVKDONJSA-N 310.781 1.500 0 40 DDAB C[C@H](C(N)=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110767 AKVNMGKMWHUVTA-SECBINFHSA-N 313.760 1.111 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)C[C@@H](C)O1 32743619 JJMYUINKYPURCU-BETUJISGSA-N 318.373 1.438 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2ccccc2F)C1=O 32750887 WUDPXOLVKRHGBG-BDJLRTHQSA-N 322.336 1.286 0 40 DDAB C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccoc2)C1=O 32928083 JOQMIPANZKNMFU-LLVKDONJSA-N 300.314 1.710 0 40 DDAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(O)[nH]c1=O 41606026 BSHDCKKSYMEOSY-VIFPVBQESA-N 320.374 1.607 0 40 DDAB O=C(COC(=O)C1(O)CCCC1)N1CCO[C@@H]2CCCC[C@H]21 61248687 YNTPGYVOUCZHRB-CHWSQXEVSA-N 311.378 1.005 0 40 DDAB CC1(C)C[C@H](NCCN2C(=O)c3ccccc3C2=O)CCO1 12389850 XHXFMTYYLUZPEV-GFCCVEGCSA-N 302.374 1.830 0 40 DDAB O=C(NCc1nc(C2CC2)no1)Nc1nnc(C2CC2)s1 47347858 ZEZVGBPLRYQEAF-UHFFFAOYSA-N 306.351 1.998 0 40 DDAB Cc1ccc(CCNc2cc(N3CCC[C@@H]3CO)ncn2)o1 78766392 FUBCZOVEHWOIKA-CYBMUJFWSA-N 302.378 1.994 0 40 DDAB COc1ccc2c(c1)c(COC(C)=O)c(COC(C)=O)c[n+]2[O-] 1584833 LMRUSWOPZNEUGE-UHFFFAOYSA-N 319.313 1.608 0 40 DDAB COCc1noc(-c2ccc(N(C)Cc3cc(C)[nH]n3)nc2)n1 23478214 HPACYJARDAYGOJ-UHFFFAOYSA-N 314.349 1.946 0 40 DDAB CCOCCCNC(=S)N1CCN(Cc2ccco2)CC1 4216666 WYEPUGKCOVFQTO-UHFFFAOYSA-N 311.451 1.698 0 40 DDAB NC(=O)c1cc(S(=O)(=O)NCc2cccs2)cs1 6678663 LGYFPZREHLKCSG-UHFFFAOYSA-N 302.402 1.387 0 40 DDAB COc1ccc(C(=O)NCCCNc2ncccn2)c(OC)c1 42757189 DPNCZXSQBGOUPK-UHFFFAOYSA-N 316.361 1.726 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2Cc2ccsc2)N1c1cncnc1 107251832 PGESNMQRNYAEBU-UONOGXRCSA-N 300.387 1.918 0 40 DDAB COC(=O)NCC(=O)NCCOc1ccc2ccccc2c1 55064381 SWXBTERZZAUQQM-UHFFFAOYSA-N 302.330 1.691 0 40 DDAB C[C@H](Oc1ccc(/C=C2/C(=O)N=C(S)N=C2O)cc1)C(=O)O 1256403 ZHMSCNOLSRNRDR-ZETCQYMHSA-N 320.326 1.704 0 40 DDAB O=C(c1ccoc1)N1CCN(C(=O)c2cc(Cl)ccn2)CC1 25239430 LOXWYIFQWJUIRW-UHFFFAOYSA-N 319.748 1.926 0 40 DDAB Cn1nnnc1SCc1ccc(C(=O)N2CCCC2)cc1 25697305 QELLYVRRCJJLEG-UHFFFAOYSA-N 303.391 1.738 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc3ccsc3c2=O)C1 26017615 GLQFLSSEFRRYGD-GHMZBOCLSA-N 305.403 1.963 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108361395 UBFKCLVUJQDDLB-RIEGTJTDSA-N 306.410 1.664 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1C[C@H]1[N+](=O)[O-] 44311294 ADKWNVJJHQLNFK-DTWKUNHWSA-N 320.273 1.287 0 40 DDAB C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NC(N)=O 58161938 QVASDNPWTGIFGK-SFYZADRCSA-N 303.284 1.939 0 40 DDAB CC[C@H]1CN(C(=O)Cn2c(-c3ccccc3)noc2=O)CCO1 58218379 BKAPYEVKLXWWLT-ZDUSSCGKSA-N 317.345 1.141 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)OCCO2 44917666 FJXAODMSNXGNRO-NSHDSACASA-N 323.374 1.021 0 40 DDAB C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H]1CCCO1 27849899 FHMRMHRVIFBDIS-WFASDCNBSA-N 315.373 1.853 0 40 DDAB Cc1c(C(=O)N[C@@H](C)[C@H]2CCCO2)sc2ncn(C)c(=O)c12 27872748 ACCRTNRNBZRWHT-VHSXEESVSA-N 321.402 1.601 0 40 DDAB Cc1cccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 58356215 QKCOKRRNKFBHSO-OCCSQVGLSA-N 304.346 1.161 0 40 DDAB CCC[C@@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O 36339975 PBCYKQNFNCIIFK-CYBMUJFWSA-N 319.354 1.756 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 3393065 SVYUHTDQXAXROK-BQYQJAHWSA-N 314.297 1.574 0 40 DDAB CC(C)=CC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 36837752 LEVUOCXUNVINTJ-UHFFFAOYSA-N 300.366 1.048 0 40 DDAB Nc1cc2c(nn1)CCN(C(=O)c1cnc3ccccc3n1)C2 72279461 SCROVGRXJOTVNF-UHFFFAOYSA-N 306.329 1.201 0 40 DDAB COc1ccc(CNC(=O)CSc2nc(N)cc(N)n2)cc1 3425737 FBPPOMOHMLVPRT-UHFFFAOYSA-N 319.390 1.058 0 40 DDAB O=C(CSc1nnnn1C1CC1)NCCc1ccccc1 12945052 LUJAHQZEWKUIHF-UHFFFAOYSA-N 303.391 1.459 0 40 DDAB CCCCNc1nnc(SCC(=O)N2CCNC2=O)s1 9140793 PWJFLDHEXNUSMI-UHFFFAOYSA-N 315.424 1.394 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 13255252 VNKNTAYQELMPHE-QWHCGFSZSA-N 323.370 1.696 0 40 DDAB CCOC(=O)c1cnn(-c2nnc3c(n2)[nH]c2ccccc23)c1N 49550588 CXRNMZZGDGPCRT-UHFFFAOYSA-N 323.316 1.451 0 40 DDAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O 4218173 HSFOCLWWAFICIJ-INIZCTEOSA-N 302.330 1.850 0 40 DDAB COc1cc(C(=O)NCCn2ccnc2)cc2c1OCCO2 65415704 BESKRZFXOVHPIU-UHFFFAOYSA-N 303.318 1.093 0 40 DDAB C[C@@H]1CCCN(C(=O)COC(=O)c2[nH]nc3ccccc23)C1 25499275 NHYHSGRRDLTSJM-LLVKDONJSA-N 301.346 1.978 0 40 DDAB O=C(O)CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)C(=O)O 14246121 RUZVOWVYNNCPOC-CYBMUJFWSA-N 319.357 1.933 0 40 DDAB C[C@@H](CCc1ccco1)Nc1ncnc2c1cnn2CCO 97200234 GGWCIAPZMJTUFV-NSHDSACASA-N 301.350 1.845 0 40 DDAB NC(=O)NCC(=O)Nc1cccc(OCc2cscn2)c1 84374583 XNKHEHGYSFWVHW-UHFFFAOYSA-N 306.347 1.329 0 40 DDAB CCOC(=O)[C@@H]1CCCN(c2cc(=O)n3ccccc3n2)C1 6962375 BLDPBIAVLJSCGN-GFCCVEGCSA-N 301.346 1.474 0 40 DDAB COc1nccnc1N1CCC(O)(c2ccc(C)cn2)CC1 67803015 SAYZUWOWFAUGLQ-UHFFFAOYSA-N 300.362 1.677 0 40 DDAB COc1ccccc1C1=NO[C@H](C(=O)NC[C@@H]2CCCO2)C1 21778849 OKJRCCYTLZGHIN-NHYWBVRUSA-N 304.346 1.483 0 40 DDAB C[C@H](NC[C@@]1(O)CCOC1)c1ccc(S(C)(=O)=O)c(F)c1 90849702 GONDXVJQDXZJJC-HZMBPMFUSA-N 317.382 1.031 0 40 DDAB CCO[C@@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 71825635 IALJDOBSCQSSDB-SNVBAGLBSA-N 307.379 1.365 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 8192664 XHFTVQJKAJYNAL-AWEZNQCLSA-N 305.422 1.675 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)Nc2cc(C)on2)c1 8403475 QWCDHVIQVCNNII-UHFFFAOYSA-N 305.290 1.108 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1O 71882446 WAIHGWPQSTXMJR-MRVPVSSYSA-N 303.145 1.707 0 40 DDAB O=C1OCC[C@@H]1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 71915742 GQXMBVANULTEGJ-ZDUSSCGKSA-N 308.765 1.300 0 40 DDAB O[C@@H](CNCCn1cccn1)c1ccc(Br)cc1 69982016 XLXUAWCNZYLIAG-ZDUSSCGKSA-N 310.195 1.969 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3[nH]ncc13)CC2 95400834 MNNMZOJPWQKWAE-NEPJUHHUSA-N 303.366 1.109 0 40 DDAB COc1cccc(-c2noc(N[C@@H]3CC(=O)N(C4CC4)C3)n2)c1 95406861 TWSRNAKTAUPWLL-LLVKDONJSA-N 314.345 1.920 0 40 DDAB CC[C@@H](C[C@H](C)CO)NC(=O)c1cn(Cc2ccccc2)nn1 95443438 OBMNWKWDZKRSIK-ZFWWWQNUSA-N 316.405 1.853 0 40 DDAB CN(c1ccccc1NC(=O)CC(F)(F)F)S(C)(=O)=O 89365574 JIFGIDQOVYCONE-UHFFFAOYSA-N 310.297 1.973 0 40 DDAB CC1(C)[C@H](NC(=O)C2=NOC3(CCNCC3)C2)[C@H]2CCCO[C@H]21 1548544348 CQHDXLTTYSGGJG-MRVWCRGKSA-N 321.421 1.205 0 40 DDAB COc1ccc(NC(=O)CCn2cccc2)cc1-c1nn[nH]n1 524734044 QIIRUWJETUVTKB-UHFFFAOYSA-N 312.333 1.706 0 40 DDAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2nccnc2C(N)=O)C1 73850122 JIGSZQPIEQHJDZ-QWHCGFSZSA-N 324.384 1.902 0 40 DDAB COC(=O)[C@H]1CCCN1CCc1nc2ccccc2c(=O)[nH]1 79311377 KIVVAULLXWRBLF-CYBMUJFWSA-N 301.346 1.103 0 40 DDAB CCN1CCCC[C@H]1C(=O)NCCCOCC1CCOCC1 77043527 GSPWNKFIKBNBNV-INIZCTEOSA-N 312.454 1.810 0 40 DDAB Cc1nnc([C@@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)o1 559697622 PABUYOBTSXCFMN-SNVBAGLBSA-N 317.349 1.101 0 40 DDAB CN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(F)cc1 72242180 WEHNETWWMLXEHW-DZGCQCFKSA-N 306.337 1.204 0 40 DDAB COCC(=O)N[C@H](C(=O)N[C@H]1CCc2ccc(F)cc21)C(C)C 78112154 XBNWEMFUACXPRP-HOCLYGCPSA-N 322.380 1.716 0 40 DDAB CNC(=O)c1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1 72239181 ONWZXVNYOYDWQK-UHFFFAOYSA-N 322.390 1.624 0 40 DDAB COC(=O)c1cc(CO)n(C[C@H](O)c2ccc(Cl)cc2)n1 71328501 UKBNPGDCDNWBIN-ZDUSSCGKSA-N 310.737 1.549 0 40 DDAB Cc1cc(N2CCN(C=O)CC2)ncc1[C@H](N)c1ccccc1 72223689 FZRVPGTWQWZRMC-GOSISDBHSA-N 310.401 1.717 0 40 DDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 72239390 HTXGFTXJQBUSBZ-IUODEOHRSA-N 321.446 1.432 0 40 DDAB COC(=O)c1ccc(Cn2cnc3ccc(F)cc3c2=O)o1 36365320 RJUJRWQCGHZZQK-UHFFFAOYSA-N 302.261 1.964 0 40 DDAB O=C([C@H]1CCCO1)N1CCC(c2n[nH]c3nccnc23)CC1 72393770 LODUKERHTZKCAF-LLVKDONJSA-N 301.350 1.238 0 40 DDAB COc1ccc(F)c(C(=O)N(C)CCn2cccn2)c1OC 188437309 SQPVGIVTHPVMQL-UHFFFAOYSA-N 307.325 1.812 0 40 DDAB CN1CCC(NC(=O)c2nnc3ccc(Cl)cc3n2)CC1 46088539 LNEZYCOFQFNZJH-UHFFFAOYSA-N 305.769 1.502 0 40 DDAB NC[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218035936 IFEBLMVDUZKFJD-IXDOHACOSA-N 317.410 1.564 0 40 DDAB CN1CCC(c2cnc(C(=O)Nc3cnn(C)c3)cn2)CC1 72360567 XEUDTEZXFWEFPX-UHFFFAOYSA-N 300.366 1.272 0 40 DDAB C[C@H](N)C(=O)N(C)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393077 ONDRFOQSYVWXHB-ZFWWWQNUSA-N 319.405 1.451 0 40 DDAB C=CC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 40838608 BHVZVOASXLPZKM-UHFFFAOYSA-N 320.414 1.983 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 75170368 RZJMQYUSGOPQJG-ZDUSSCGKSA-N 300.424 1.131 0 40 DDAB O=C(NCCc1ccccn1)C(=O)Nc1ccc2c(c1)OCO2 42646781 XTWGDSWZDKOGHW-UHFFFAOYSA-N 313.313 1.108 0 40 DDAB Cc1ccc2nnc(C(=O)NCCCn3nc(C)cc3C)nc2c1 46088593 JEBGBCAHOQGAMD-UHFFFAOYSA-N 324.388 1.967 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cc(N2CCOCC2)on1 224082227 XPBKRDXFBHLTOO-UHFFFAOYSA-N 305.309 1.580 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2Cc1ccc(OC)cc1 96183837 ZUQLXIZWLHPRFF-CVEARBPZSA-N 304.390 1.517 0 40 DDAB Cn1cc(C(=O)O[C@H]([C@@H]2CCCO2)C(F)(F)F)ccc1=O 96485231 BXYWKVQLUZYGSJ-GXSJLCMTSA-N 305.252 1.652 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(Cc4csc(C)n4)C[C@@H]32)n1 96219096 RKVXRHSIKDZGFM-IACUBPJLSA-N 320.418 1.832 0 40 DDAB CCN1CC[C@]2(CN(S(C)(=O)=O)C[C@H]2c2ccccc2)C1=O 96201880 UTVPNWMPRIGDTO-GOEBONIOSA-N 322.430 1.284 0 40 DDAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1c[nH]c(=O)c(Cl)c1 96123189 GVGCHBQLOUSOQZ-JTQLQIEISA-N 308.725 1.439 0 40 DDAB CCCS(=O)(=O)N1CCC2(CC1)CO[C@H](COCC)C2 96105907 VFNONFXZTOZUCR-ZDUSSCGKSA-N 305.440 1.634 0 40 DDAB COc1ccc(S(=O)(=O)NCCN[C@H]2CCC[C@H]2C)cc1 95410397 ALTXAXHUSIFUPW-DOMZBBRYSA-N 312.435 1.752 0 40 DDAB O=C(C1CC=CC1)N1CC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 96219464 FLGGFBXUYHILPA-WMLDXEAASA-N 314.389 1.615 0 40 DDAB CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Cc1cccs1 96183818 SCKOVHCLKUUZTK-UONOGXRCSA-N 321.446 1.054 0 40 DDAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(C1CCC1)C2 248157412 WCIFRUDDWVZTAB-CQSZACIVSA-N 317.433 1.788 0 40 DDAB CNC(=O)[C@H]1CN(C)CCN(c2ccc(C(F)(F)F)cn2)C1 257302113 SBPOEGGISSFOBU-JTQLQIEISA-N 316.327 1.214 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2cccnn2)n1 257330621 XPDGKMBYVKJRCY-HNNXBMFYSA-N 312.377 1.306 0 40 DDAB Cn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1 257220165 DJUZIXSVNPLOEH-UHFFFAOYSA-N 320.418 1.621 0 40 DDAB O=C(O)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCCCO2 261786578 SMSBSBCOHOZYFG-GFCCVEGCSA-N 321.329 1.164 0 40 DDAB Cn1cc(-c2noc(CNC(=O)c3cc(C4CC4)[nH]n3)n2)cn1 390832350 YWCJOTZEHTZNIQ-UHFFFAOYSA-N 313.321 1.001 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1O 585281235 UOHNCFPPOPBITR-OAGGEKHMSA-N 322.380 1.402 0 40 DDAB Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)cc1F 585182349 HDXYGMAGXVUYJE-QGZVFWFLSA-N 306.381 1.807 0 40 DDAB Cc1cnn(CCN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 69902314 VNOPFXQUFBDAGU-MRXNPFEDSA-N 316.380 1.940 0 40 DDAB O=C1NC2(CCSCC2)C(=O)N1Cc1nnsc1Cl 69571536 YRARVKISFIUNAP-UHFFFAOYSA-N 318.811 1.509 0 40 DDAB O=C(NCCn1cccnc1=O)c1cccc(C(F)(F)F)c1 888106991 KJWZUNNWTQUMGQ-UHFFFAOYSA-N 311.263 1.692 0 40 DDAB C[C@@H](c1cccs1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52826855 WWRQYBZZXUOMSQ-VIFPVBQESA-N 303.391 1.911 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)[C@H]2CCCCN2C(C)C)n1 73499152 ITOXTCATLMYCRC-CYBMUJFWSA-N 321.425 1.221 0 40 DDAB O=C(CNC(=O)c1ccc(F)cc1)NCC1(O)CCCCCC1 75093009 LABDLSJWMZPRAD-UHFFFAOYSA-N 322.380 1.757 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1 77105346 PQFRGRJLAXTRRE-NSHDSACASA-N 309.840 1.732 0 40 DDAB Cc1ccc([C@H](CNCc2nccn2C)N2CCOCC2)s1 75603898 LFLOHXXMGVSWDT-AWEZNQCLSA-N 320.462 1.953 0 40 DDAB CN(CC(C)(CO)CO)C(=O)c1cc(F)cc2cccnc12 96004024 WGNFKOCHYGAHCB-UHFFFAOYSA-N 306.337 1.437 0 40 DDAB Cn1c(=O)n(CC(=O)N2CCCc3ccccc32)c2cccnc21 12117512 SSQXIFILHDMZKQ-UHFFFAOYSA-N 322.368 1.714 0 40 DDAB Cc1nc2ncc3c(=O)n(CCN4CCCCC4)ccc3n2n1 13638708 VYGPWEQLGKKAKP-UHFFFAOYSA-N 312.377 1.234 0 40 DDAB O=C(O)[C@H]1[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]2CC[C@@H]1C2 17031947 LUUTZQREDZURBN-QNWHQSFQSA-N 309.362 1.099 0 40 DDAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)no1 19522643 GCWIPTYSGCAAPY-LLVKDONJSA-N 320.324 1.745 0 40 DDAB CO[C@H](C(=O)NCc1nc(-c2cccnc2)n[nH]1)c1ccccc1 19592557 UQRZLRZPZWAARQ-HNNXBMFYSA-N 323.356 1.871 0 40 DDAB Cc1cccc(CC(=O)N2CCC[C@](O)(Cn3ccnn3)C2)c1 521475312 JWCTUTVREIAVJY-QGZVFWFLSA-N 314.389 1.183 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@@H](CCO)c1cccs1 575605687 CWFCECQWIWIZLO-NSHDSACASA-N 323.418 1.776 0 40 DDAB COc1cccc2oc3c(c(=O)c12)C(C(=O)O)=CC(CO)=CO3 36374999 UGQXIFJKVZYNBY-UHFFFAOYSA-N 316.265 1.538 0 40 DDAB biogenic,in-vitro O=C(C[C@@H]1Sc2ccccc2NC1=O)O[C@H]1CCOC1=O 4546692 CKFGGRXLEIYZEQ-ONGXEEELSA-N 307.327 1.348 0 40 DDAB COC(=O)COCc1ccc(Br)cc1C(=O)OC 1857795738 XMYSKDLSJJGCJS-UHFFFAOYSA-N 317.135 1.925 0 40 DDAB CCOCC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839686 AKHFJIWRIUYLPE-QGZVFWFLSA-N 318.373 1.057 0 40 DDAB O=C(/C=C\c1cccs1)NCc1nnc2c(O)nccn12 253474613 ILILFJHLNVDZGQ-ARJAWSKDSA-N 301.331 1.221 0 40 DDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1cccc(F)c1 5258661 GQVGHNPYJABBQZ-CQSZACIVSA-N 317.320 1.792 0 40 DDAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cccs1 8954601 OEURYAFALSAJSM-UHFFFAOYSA-N 315.354 1.995 0 40 DDAB O=C(N1CCCC1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 2055713330 BBUKVYCRBBWACS-HNNXBMFYSA-N 318.421 1.957 0 40 DDAB Nc1c(C(=O)[C@@H]2CCN(C(=O)C3CC3)C2)cnn1-c1ccccc1 19374448 DJJKZEHRUVVEOP-CYBMUJFWSA-N 324.384 1.896 0 40 DDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCCc1ccccc1 21883890 YUIUEZFZXHXGQN-UHFFFAOYSA-N 323.374 1.107 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)cnn1-c1ccccc1 40521787 HUQOOJNBQFJCMC-OAHLLOKOSA-N 312.373 1.579 0 40 DDAB COCc1c(C(=O)N[C@H]2CCCCNC2=O)oc2ccccc12 40521206 ROUSYIDOZQGBTN-ZDUSSCGKSA-N 316.357 1.978 0 40 DDAB C[C@@H]1CN(C(=O)CNc2cc(Cl)ccc2C(N)=O)CCO1 40511218 IZELDDQCZTXTRL-SECBINFHSA-N 311.769 1.098 0 40 DDAB CNC[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 40597473 JOIXXGJMSVUKCY-CYBMUJFWSA-N 312.435 1.624 0 40 DDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccncc1 31941866 DUDAKBOZLWGKHG-OAHLLOKOSA-N 307.419 1.019 0 40 DDAB Cc1nnc2ccc(N3CCC(C(=O)N4CCCC4)CC3)nn12 20730495 QHFVWQIFBNWZKC-UHFFFAOYSA-N 314.393 1.272 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)N[C@@H]1COc2ccccc2C1 32927594 FZDAKZWUKDGDOQ-JSGCOSHPSA-N 310.419 1.699 0 40 DDAB CN1C(=O)N(CC(=O)Nc2ccncc2)C(=O)C12CCCCC2 22260439 XBPHSLUNGJTEFW-UHFFFAOYSA-N 316.361 1.617 0 40 DDAB CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1 53844091 MOJBJSWUXRLBEX-UHFFFAOYSA-N 310.419 1.903 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC(C2CC2)C2CC2)C1=O 22885922 YZOWZXRKUFCWDR-MRXNPFEDSA-N 305.378 1.012 0 40 DDAB COCCNC(=O)c1ccccc1I 3093790 KLKRXNKJRPDBST-UHFFFAOYSA-N 305.115 1.667 0 40 DDAB COC(=O)c1cc([C@@](O)(C(=O)OC)C(F)(F)F)c(N)s1 3198845 IPYGRKYXLFPDTO-SECBINFHSA-N 313.253 1.040 0 40 DDAB COC1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 42567279 FXPYIBNHPMMHTM-UHFFFAOYSA-N 302.418 1.945 0 40 DDAB C[C@@H]1C[C@H]1CNC(=O)Cn1nnc(COc2ccccc2)n1 42980677 YJMPIYUMGDPTFC-NEPJUHHUSA-N 301.350 1.024 0 40 DDAB CCc1ccc(OC[C@H](O)CS(=O)(=O)c2ccccn2)cc1 6244665 JLRNPYMCBLHNEZ-AWEZNQCLSA-N 321.398 1.858 0 40 DDAB NC(=S)NNCCC(=O)Nc1ccccc1C(F)(F)F 6513839 VZRSXQYFUZILID-UHFFFAOYSA-N 306.313 1.372 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(O)nn1 24623128 SARXPELVRAXJGZ-UHFFFAOYSA-N 309.329 1.357 0 40 DDAB CC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(Cl)cc1 1276000 YBSWYLSPLJXNLL-RYUDHWBXSA-N 303.767 1.481 0 40 DDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NOCc1ccccc1 25282781 MJDAQRNEENJXJR-ZIAGYGMSSA-N 316.357 1.410 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cccc(F)c1 25290239 WRLCSFJJISZPNL-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CC3)n1)CC2 72661522 ZREAYPOFMYTDRQ-UHFFFAOYSA-N 320.374 1.157 0 40 DDAB CCCCN(CC(N)=O)S(=O)(=O)/C=C/c1ccc(C)cc1 56056343 YRWWJTTZMOASLK-PKNBQFBNSA-N 310.419 1.883 0 40 DDAB COc1ccc(C(=O)N2CC[C@H]3CC[C@H](C2)N3C(C)C)nn1 102705551 ITGYFDKEYCHGFF-CHWSQXEVSA-N 304.394 1.573 0 40 DDAB C[C@@H]1CN(c2ccc(C(=O)NC[C@H]3CCOC3)cn2)C[C@@H](C)O1 107572537 SSBNXTVCSVDTJZ-MGPQQGTHSA-N 319.405 1.462 0 40 DDAB C[C@@H](NC(=O)NCCc1nc2ccccc2[nH]1)[C@H]1CCCO1 26398659 NHUJHVIDYRRVTO-BXUZGUMPSA-N 302.378 1.972 0 40 DDAB C[C@@H]1COCCN1CC(=O)Nc1ccc(Br)cn1 26452090 FGRRWUJLCWPIFO-SECBINFHSA-N 314.183 1.503 0 40 DDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)C 100128523 VOZKHMKOJIGIKZ-STQMWFEESA-N 320.437 1.149 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)no1 44633778 MOFQFTQBVOFEDO-RISCZKNCSA-N 303.362 1.657 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)cc1Cl 44717795 WZCHZDWDIPXUTL-SSDOTTSWSA-N 323.748 1.783 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2C)cc1 27652451 WTSKYDVFNOKCNC-UHFFFAOYSA-N 305.359 1.550 0 40 DDAB CN(C)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3239749 TWLKGYFTZGSJEJ-UHFFFAOYSA-N 302.330 1.819 0 40 DDAB Cc1cc2n(n1)C[C@@H](CNC1CCN(C(=O)C3CC3)CC1)CN2 58294411 PMFFETKGPZPPSS-ZDUSSCGKSA-N 317.437 1.224 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 101681841 JPCCKXXLIFFNNI-JLUCKKNBSA-N 315.325 1.554 0 40 DDAB CC(C)(CNC(=O)c1cc(-c2ccco2)[nH]n1)N1CCOCC1 44908404 VLTYNLWZWVGGBB-UHFFFAOYSA-N 318.377 1.510 0 40 DDAB Cc1nc2ccccc2n1CCCNC(=O)[C@H](C)S(C)(=O)=O 44967050 GSSWVISQSQYHPL-NSHDSACASA-N 323.418 1.284 0 40 DDAB O=C1OCC[C@@H]1N1CCN(c2nc3ccccc3s2)CC1 44977421 FJRNQVHUWJAEDW-LBPRGKRZSA-N 303.387 1.734 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@H]2CCN3CCCC[C@H]23)n1 44942020 YGPSCEOWQNCHAJ-QWHCGFSZSA-N 306.410 1.869 0 40 DDAB O=C(NCCCO)Nc1cc(Cl)ccc1N1CCOCC1 58370814 XJKSHBGEKVSKAX-UHFFFAOYSA-N 313.785 1.681 0 40 DDAB CCN1CCC(N(C)S(=O)(=O)c2ncn(C)c2Cl)CC1 27970888 HQGXBNRWYYGQHR-UHFFFAOYSA-N 320.846 1.178 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)/C=C/c2ccccc2)C[C@@H](C)O1 12622938 WYKVOHIOXFVZAA-DTEKQVELSA-N 303.358 1.879 0 40 DDAB CNC(=O)[C@H]1CCCC[C@H]1NC(=O)NCc1nc(C)sc1C 95442775 YVAONEBJUJIKND-NWDGAFQWSA-N 324.450 1.864 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC[C@H]3CCC[C@H]3O)c2n1 95441183 DDSPRPACNFWPNX-ZIAGYGMSSA-N 320.414 1.983 0 40 DDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC(O)=NC1=O 59192951 NIMKPKMABUXTKM-WCBMZHEXSA-N 314.338 1.334 0 40 DDAB NC(=O)C1CCN(C(=O)NCc2ccc(Cl)s2)CC1 45543483 QBBWIBIPSSMMOC-UHFFFAOYSA-N 301.799 1.808 0 40 DDAB Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 45750902 NRPNHACYVXHGOM-OAHLLOKOSA-N 302.374 1.643 0 40 DDAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(CNC(N)=O)cc1 29378758 FTDWYEWAIIDKKD-GFCCVEGCSA-N 312.373 1.873 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1ccc2cc(OC)ccc2n1 45909199 UJNNKTHMVIOEDZ-UHFFFAOYSA-N 315.373 1.971 0 40 DDAB O=C(c1[nH]nc2c1CCCC2)N1CCS[C@H]2COCC[C@@H]21 95425958 UXHRIDXEBVYHKZ-STQMWFEESA-N 307.419 1.635 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)Cc1noc(CC(C)C)n1 46163867 QJVZSADFTAPBNP-UHFFFAOYSA-N 313.379 1.988 0 40 DDAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccco2)c1 10669040 OIFAHZUPDGUSSJ-UHFFFAOYSA-N 309.343 1.887 0 40 DDAB COCCn1c(SCC(=O)N(C)C)nc2ccccc2c1=O 3308894 IJPLZLFNCGNESR-UHFFFAOYSA-N 321.402 1.223 0 40 DDAB CNC(=O)NCC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 95445134 RKTQJQZVSLUEQG-UHFFFAOYSA-N 302.334 1.826 0 40 DDAB CCc1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1 2655262 WJTLOPSMCIDZLM-UHFFFAOYSA-N 303.351 1.407 0 40 DDAB COc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 12894502 POERGDGPHIWSKB-UHFFFAOYSA-N 321.358 1.987 0 40 DDAB Cn1nccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 22239087 XLYZERXGXLPISG-UHFFFAOYSA-N 302.353 1.517 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 3487640 PZVCKCHNYKFGAI-CYBMUJFWSA-N 319.361 1.600 0 40 DDAB COc1ccc(CC(=O)OCC(=O)Nc2cc(C)on2)cc1 3436238 BFTPISSMZJHCGR-UHFFFAOYSA-N 304.302 1.716 0 40 DDAB COC[C@@H](C)NC(=S)N1CCN(c2ccccc2OC)CC1 13097128 XVACRPFCAPJSPK-CYBMUJFWSA-N 323.462 1.727 0 40 DDAB O=C(COC(=O)C1(c2ccccc2)CCCC1)N1CCNC1=O 5015290 CBPHWROIWCBGLL-UHFFFAOYSA-N 316.357 1.593 0 40 DDAB CC(=O)Nc1nc2ccc(C(=O)NCCCN(C)C)cc2s1 13735872 DWRHOTLUXGCVKZ-UHFFFAOYSA-N 320.418 1.936 0 40 DDAB Cc1nc2n(c1C)CCN(Cc1cc(=O)n3cccc(C)c3n1)C2 65465713 HNRSBGLPIKZZQO-UHFFFAOYSA-N 323.400 1.832 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@H]2CCc3nccn3C2)n1 65463085 DZTGXBAGUJSZRN-NSHDSACASA-N 303.366 1.453 0 40 DDAB CCc1n[nH]c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 14093513 UCLXWWVXTOBTIJ-UHFFFAOYSA-N 318.358 1.673 0 40 DDAB C[C@H](NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1)C1CC1 65565193 HVDGAWMPLWWNIA-NSHDSACASA-N 312.373 1.564 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ncccn3n2)on1 14146098 WTRHSIMPKUZRGU-MRVPVSSYSA-N 304.335 1.540 0 40 DDAB O[C@H](COCc1ccco1)CSc1nnc2ccccn12 14200900 BZLIOGZEBRILAZ-LLVKDONJSA-N 305.359 1.992 0 40 DDAB C[C@H](CC(=O)O)CC(=O)N1CCN(c2ccc(F)cc2)CC1 4682697 VYKCNKPREQROIX-LBPRGKRZSA-N 308.353 1.975 0 40 DDAB O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCO1 68143053 VLEXAMYRCVXFLZ-HUUCEWRRSA-N 303.358 1.900 0 40 DDAB CCOC(=O)c1ccc(OC[C@H](O)CNC[C@@H]2CCCO2)cc1 8326935 DVOVPCLGJKKSTR-ZBFHGGJFSA-N 323.389 1.372 0 40 DDAB Cc1cc(CSc2ccccc2C(=O)OCC(N)=O)on1 8477975 FYACMJOZIDFXAZ-UHFFFAOYSA-N 306.343 1.917 0 40 DDAB CN1C[C@@H](NC(=O)c2ccc(Br)cc2O)CC1=O 69533717 MAKYXHOOFIZQDQ-QMMMGPOBSA-N 313.151 1.115 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(OCC(N)=O)cc2)c1 69511085 DNHMGGDEMKICEY-ZIAGYGMSSA-N 316.405 1.795 0 40 DDAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@@H]1CCCO1 18046871 FPHCOBKAEJTATF-OKILXGFUSA-N 304.346 1.922 0 40 DDAB NC(=O)NCCCCC(=O)N1CCN(c2ccccc2)CC1 8745549 BKSSFQUFQKIQMO-UHFFFAOYSA-N 304.394 1.174 0 40 DDAB CN1C[C@@H](C(=O)N2CCO[C@H](CCc3ccccc3)C2)CC1=O 97111891 JDONLLULXAGFAF-JKSUJKDBSA-N 316.401 1.325 0 40 DDAB O=C(NCc1csc2ccccc12)N1CCS(=O)(=O)CC1 71803892 AONPETKMNOGGEJ-UHFFFAOYSA-N 324.427 1.841 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 71873336 LEEBFTYLEJQTNX-UHFFFAOYSA-N 317.455 1.050 0 40 DDAB CC(C)(C)n1cc(CNCc2ccc(OCC(N)=O)cc2)cn1 71837025 XRHAJLQZNJVBHE-UHFFFAOYSA-N 316.405 1.792 0 40 DDAB COC(=O)[C@@H]1CN(CCCN2CCOC2=O)c2ccccc2O1 71892864 IXGNTEPNZRJCTE-AWEZNQCLSA-N 320.345 1.269 0 40 DDAB COC[C@H](C)S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C 72300189 KPJVDYWOWSZUHV-AAEUAGOBSA-N 301.412 1.021 0 40 DDAB CCN(C(=O)[C@H]1COCCO1)c1ccc(Br)cn1 72080714 ORNGZQPUGGWELI-SNVBAGLBSA-N 315.167 1.612 0 40 DDAB COCCOc1ccc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cn1 89937204 XJUPBFGBDKRIQO-GXTWGEPZSA-N 307.394 1.129 0 40 DDAB O=S(=O)(c1ccc(NC[C@@H]2CCCO2)nc1)N1CCCC1 25665254 VZKMIOCOBOGZRG-LBPRGKRZSA-N 311.407 1.457 0 40 DDAB O=C(N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21)c1n[nH]cc1C(F)(F)F 1551452521 FMHJFPRUPVGWGG-BMLSCUAFSA-N 317.267 1.658 0 40 DDAB CC(=O)SC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 39934121 APFMTMKHBWOKGG-YBXAARCKSA-N 318.391 1.663 0 40 DDAB CCCc1cc2nnc(SCC(=O)NC(C)(C)C)n2c(N)n1 35315504 JHGAEDKQYWLAOB-UHFFFAOYSA-N 322.438 1.666 0 40 DDAB CCOC(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 60368395 RHBZCJUYFHCDHW-KFWWJZLASA-N 312.454 1.759 0 40 DDAB O=C(c1cc(N2CCCC2)ccn1)N1CC[C@]2(CCNC2)C1 520584345 URMGCXOADJPIEG-KRWDZBQOSA-N 300.406 1.507 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1ccc(C)cc1 72880804 NIBZAXJODBYPTH-ZDUSSCGKSA-N 312.435 1.844 0 40 DDAB CCOc1ccc(CN(C)C(=O)c2nccnc2N)cc1OC 31201282 LNDBETNRBFRQIY-UHFFFAOYSA-N 316.361 1.738 0 40 DDAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCNCC2)C1 306135608 OVWARDFCQIAIDW-MRXNPFEDSA-N 317.433 1.098 0 40 DDAB COCCNC(=O)[C@@H](C)n1cc(C(=O)OC)c2ccccc21 409195632 JSLPZBMIBPRYPG-LLVKDONJSA-N 304.346 1.752 0 40 DDAB C[C@H](N)C(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 79391329 KECOKIOBLSVCLT-WCQYABFASA-N 311.426 1.724 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)CC(=O)NC(C)C)c1C 39440859 KOMBEMULRUQASU-LBPRGKRZSA-N 321.421 1.862 0 40 DDAB COC(=O)c1ccc(Cn2ccc3oc(=O)cc(C)c3c2=O)o1 1547139072 JHYKBEQCFWGUJP-UHFFFAOYSA-N 315.281 1.691 0 40 DDAB biogenic NC1=NC(=O)[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 71974901 ISTATDJUPAABHC-INIZCTEOSA-N 301.296 1.847 0 40 DDAB O=C(COc1ccccc1I)NC1CC1 31656131 CRCWUYOHUPSXEI-UHFFFAOYSA-N 317.126 1.949 0 40 DDAB Cc1nccc([C@@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)n1 72364555 CRHMKOHRWLLIAA-ZDUSSCGKSA-N 321.406 1.651 0 40 DDAB O=C(NC1CCOCC1)N[C@H](Cn1nccn1)c1ccccc1 238846054 IIVNZLMXLZADQT-OAHLLOKOSA-N 315.377 1.498 0 40 DDAB Cn1cc(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)cn1 72351211 IVGLPVRPWPAFDP-SNVBAGLBSA-N 311.349 1.106 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1ccc2[nH]nnc2c1 131256670 ROGSMROXTJKTAM-CYBMUJFWSA-N 322.372 1.752 0 40 DDAB CCN1CCO[C@H](C(=O)Nc2ccccc2CN2CCCC2)C1 81256029 TYNMLAJZBHMAAV-KRWDZBQOSA-N 317.433 1.942 0 40 DDAB COc1cc(C)c(NC(=O)N[C@H]2CCc3ncnn3C2)cc1F 190414062 MEBDJDUJJASBFV-JTQLQIEISA-N 319.340 1.871 0 40 DDAB COc1ccc(CN2CCN(CCC(=O)O)CC2)cc1OC 49919653 BAPUJBMMFYLXLK-UHFFFAOYSA-N 308.378 1.296 0 40 DDAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@H]1CC1(Cl)Cl 529819516 JEXUBKVAIZEXMV-MFKMUULPSA-N 316.184 1.663 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnn(C)c1 198454088 PTXZFAMKZYYODL-UHFFFAOYSA-N 319.317 1.476 0 40 DDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)CCN2CCCC2)C12CCC2 192720765 IGRRHSKLWFJCHP-ZIAGYGMSSA-N 316.467 1.349 0 40 DDAB CN(C)CC1(CNC(=O)N[C@H]2CC[C@@H](N(C)C)C2)CCCC1 96502969 DNUKBEMFYGJNAG-LSDHHAIUSA-N 310.486 1.890 0 40 DDAB C[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 97234159 XVWCMEORUHATRI-SCZZXKLOSA-N 303.284 1.427 0 40 DDAB c1ccc(CN2CCOC3(CCN([C@H]4CCOC4)CC3)C2)nc1 96158848 YVKUVGOSQNHZPZ-KRWDZBQOSA-N 317.433 1.537 0 40 DDAB COCC(=O)NC[C@@H](C)Oc1cccc(Br)c1 96431866 XHAWUADRQASMDP-SECBINFHSA-N 302.168 1.979 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@@H](N)c1ccc(Br)cc1 96525172 GIERIORZEVCWSX-QWRGUYRKSA-N 322.224 1.245 0 40 DDAB CN(C)C(=O)N[C@H]1COC2(CCN(Cc3ccco3)CC2)C1 96047964 QTLVLVUSNSMNGN-CYBMUJFWSA-N 307.394 1.674 0 40 DDAB CCOC[C@]12COC[C@H]1CN(C(=O)Cc1cccc(F)c1)C2 96108664 FYVPREPUSLZPCF-RHSMWYFYSA-N 307.365 1.880 0 40 DDAB Cc1cccc(NC(=O)c2ccc(OCc3nnnn3C)cc2)n1 96101296 SXCDCLRXDKONCI-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB CC[C@](Br)(C(=O)c1ccc(N)cc1)S(C)(=O)=O 96518671 GMTDYWYEKRDRPU-LLVKDONJSA-N 320.208 1.997 0 40 DDAB O=C([C@@H]1CC12CCN(c1nncs1)CC2)N1CCOCC1 96227811 KWBMMSKDHBLGJT-NSHDSACASA-N 308.407 1.003 0 40 DDAB O=S(=O)(NCc1cccc(-n2ccnc2)c1)c1cccnc1 96406713 JYKTYNZHUOTXMW-UHFFFAOYSA-N 314.370 1.746 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072539 LRMCXNJJUKERNN-UXLLHSPISA-N 318.373 1.399 0 40 DDAB O=C(c1ccoc1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058659 ARQUEWWSQUPLHT-GFCCVEGCSA-N 313.357 1.815 0 40 DDAB CC[C@@H](c1ccccc1)N1CCN(C(=O)CNC(=O)NC)CC1 96485554 PTHOJGJVMZANLZ-HNNXBMFYSA-N 318.421 1.211 0 40 DDAB CC(C)(C)[S@@](=O)CCNC(=O)N[C@H]1COc2ccccc21 96408808 BHLLLKRTCKKALP-LAJNKCICSA-N 310.419 1.967 0 40 DDAB Cn1cc(CNC(=O)CCN2C(=O)CCc3ccccc32)cn1 96414326 WCHXNBHPZHTUPQ-UHFFFAOYSA-N 312.373 1.406 0 40 DDAB CN1CC[C@]2(COCCN(C(=O)NCc3ccccc3)C2)C1 96201968 PYXCPGHTOWINCX-KRWDZBQOSA-N 303.406 1.550 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCOC[C@H]1c1ccn[nH]1 257289290 PXYCXMBAVXWILL-ZDUSSCGKSA-N 305.309 1.771 0 40 DDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2cccn2C)n1 257258663 KUZVTWLRHUXGFE-CQSZACIVSA-N 313.405 1.854 0 40 DDAB CO[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CC[C@@]12CCCO2 257314176 UVQJITSZVYSVNA-YOEHRIQHSA-N 315.373 1.973 0 40 DDAB O=C(N[C@@H]1CCn2nccc2C1)c1ccc(Cn2ccnc2)cc1 253473538 VUQXLXLBPBVOEM-MRXNPFEDSA-N 321.384 1.873 0 40 DDAB Cc1nc2ccccc2n1CCN[C@@H](C)C[C@H]1COCCN1 262358378 WDLRLWBNKRFMEH-ZFWWWQNUSA-N 302.422 1.701 0 40 DDAB C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCCSc1ccccc1 390835017 AYZOVDXFNPLLTC-JSGCOSHPSA-N 321.446 1.993 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@H]2C 585098530 ZDBVTEABHWUEGA-ZDUSSCGKSA-N 314.389 1.879 0 40 DDAB Cc1c(C(=O)N(CC(N)=O)C2CCCC2)cnn1C(C)(C)C 71821144 KQLAKSPQDBUZEX-UHFFFAOYSA-N 306.410 1.817 0 40 DDAB COC(=O)Cn1ccc(Nc2nccc(C(F)(F)F)n2)n1 71908239 YNBIWIXIFGGYFU-UHFFFAOYSA-N 301.228 1.609 0 40 DDAB CC(=O)N1CCN(c2cccc([C@@H]3CCCN(C)C3)n2)CC1 72365060 SSDZAPNKILRBFK-OAHLLOKOSA-N 302.422 1.559 0 40 DDAB COc1ccc(C)cc1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 52538259 HMSYUCVXIKEERX-ZDUSSCGKSA-N 311.403 1.192 0 40 DDAB CCNC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 57776538 UXNKOAGCNFQCCS-UHFFFAOYSA-N 314.407 1.520 0 40 DDAB Cc1cc(NC(=O)CN2CCN(Cc3cscn3)CC2)on1 58268158 ILUQJDCAIALXPI-UHFFFAOYSA-N 321.406 1.196 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 75532404 FTYYAUHQSINDHH-KBPBESRZSA-N 318.421 1.907 0 40 DDAB COc1cccc([C@H]2CCCN2C(=O)Cn2cccnc2=O)c1 40516598 QUIPNFPDUPKNDK-OAHLLOKOSA-N 313.357 1.616 0 40 DDAB COC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40543592 LMKIBPIDCOKMGK-QWRGUYRKSA-N 312.801 1.498 0 40 DDAB O=C(CN1CCOCC1)Nc1ccc(Br)cc1O 96499645 QCRNFFZNBWNYJH-UHFFFAOYSA-N 315.167 1.425 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)Cn2nc(C)ccc2=O)C12CCCC2 96432520 DMIDYTIFDYVDNY-UONOGXRCSA-N 319.405 1.406 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)on1 97086381 OCGQUHIYMDNAMA-GFCCVEGCSA-N 300.318 1.303 0 40 DDAB C[C@@H](N1CCN(CC(C)(C)S(C)(=O)=O)CC1)C(F)(F)F 93883319 XZCSROKHGTYPSP-SNVBAGLBSA-N 316.389 1.378 0 40 DDAB CC(C)(C)c1ccc(O)c(NC(=O)CN2C(=O)CCC2=O)c1 12948983 SSAOHGXVGFXNSB-UHFFFAOYSA-N 304.346 1.777 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1 16023237 XPXHZFWPEVIZPJ-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB Cc1nc(C)n(CC(=O)NCCc2nc3ccccc3n2C)n1 19285790 PLTCENYTJISTEA-UHFFFAOYSA-N 312.377 1.141 0 40 DDAB CCC(=O)N1c2ccc([C@@H](O)CN3CCOCC3)cc2C[C@@H]1C 19499222 IDBPPVFYGJUNHH-GUYCJALGSA-N 318.417 1.740 0 40 DDAB C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccccn1 19656422 DAQQCRYBKWUWPH-SECBINFHSA-N 300.343 1.642 0 40 DDAB CC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 19947109 FAHKABVPZHHUKT-ZDUSSCGKSA-N 312.435 1.984 0 40 DDAB CC(C)C(=O)N1CC[C@H](NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)C1 161611216 GOSWGLIYTPLJBI-DKUMPPAJSA-N 307.438 1.280 0 40 DDAB Cc1ccc(F)c(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c1 527562741 WHEUGQSJMLJZOI-SUNKGSAMSA-N 318.352 1.537 0 40 DDAB Cc1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 1889078068 CDOHHSHUPRRJKZ-UHFFFAOYSA-N 310.405 1.780 0 40 DDAB C[C@@H](NC(=O)c1nn(C)cc1Br)[C@@H]1CCCO1 2778457 ZLRZZDHPSTZNPR-APPZFPTMSA-N 302.172 1.480 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 239579021 DDSRRHADHCBSDA-XJKCOSOUSA-N 319.357 1.411 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc2ccc(F)cc2[nH]1 2037849738 BGVQAWUNSNIFQC-KCPJHIHWSA-N 306.337 1.701 0 40 DDAB CC1(C)C[C@@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)NCc1cccnc1 2056224300 VNSVTUWRMMBNMI-PMUMKWKESA-N 313.401 1.735 0 40 DDAB CCn1nccc1C(=O)N1CC[C@H]2C[C@@]21C(=O)NC1CCC1 2056225381 PEXRLUPXOBAZPT-ZBEGNZNMSA-N 302.378 1.176 0 40 DDAB CCN=c1cc(C)nc(N2CCN(CC3(O)CCCC3)CC2)[nH]1 2087127693 MJMJLISQSQSIRN-UHFFFAOYSA-N 319.453 1.066 0 40 DDAB O=C(CCF)N1CCc2ncnc(-c3ccncc3)c2CC1 1565556130 NUXFNMUIMDVHHN-UHFFFAOYSA-N 300.337 1.825 0 40 DDAB COC[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncn(CC3CC3)c21 1565552475 VYBZEJNPVZJVCR-GFCCVEGCSA-N 315.377 1.402 0 40 DDAB C[C@]1(C(=O)N2C[C@H]3ON=C(C(=O)NC4CC4)[C@H]3C2)CC=CCC1 1565544375 FVDBUGVLVQDUTD-AHIWAGSCSA-N 317.389 1.225 0 40 DDAB Cc1nc(C(=O)N2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)cs1 2055839539 GTFTVUDTGRGXRT-SMDDNHRTSA-N 319.390 1.289 0 40 DDAB Cc1ncn(CC2CCN(C[C@H]3CCCOC3)CC2)c(=O)c1C 585632588 VTHVDPNKWNHLEJ-QGZVFWFLSA-N 319.449 1.999 0 40 DDAB CCCCNC(=O)[C@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192176 LSZSMFWTQKUUFG-ZDUSSCGKSA-N 306.410 1.808 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1 23078463 FCPXEOOUWLROOH-UHFFFAOYSA-N 302.334 1.193 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 203706 UUPIQDRVFLAETN-LDDOYCOJSA-N 313.353 1.450 0 40 DDAB biogenic O=C1CCCCCN1CCCNS(=O)(=O)c1cccs1 40485745 OPVZHLFVZBTKCV-UHFFFAOYSA-N 316.448 1.819 0 40 DDAB CC(=O)Nc1nc(CN2CCC(NC(=O)C3CC3)CC2)cs1 30280963 UCVPXHZVTQQRSO-UHFFFAOYSA-N 322.434 1.592 0 40 DDAB COc1ccc(OC)c2c1CN(Cc1nc(C)no1)C[C@H]2O 30588807 PDHCUJJSWYZPCV-LLVKDONJSA-N 305.334 1.444 0 40 DDAB O=C1[C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@H]2[C@@H]2CO[C@@H]1O2 100250681 CLDOBSIZFBVYSI-AKEQQPQASA-N 302.370 1.958 0 40 DDAB biogenic,in-vitro C[C@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccccn1 40497667 NGQZSDMGZQKMKX-KBPBESRZSA-N 311.389 1.965 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1-n1cccc1 40485172 VTYSNWKLRIYVJL-CQSZACIVSA-N 318.398 1.703 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H](O)c1ccc(OC)cc1 31569464 WIBMPUTXHNIORR-GFCCVEGCSA-N 307.375 1.573 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)Nc2cccnc2)cc1 40554028 AOIBRFRXXURRII-UHFFFAOYSA-N 305.359 1.807 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CCCO3)cn2)n1 40513855 RMUKOWZENFFTMH-AWEZNQCLSA-N 300.362 1.793 0 40 DDAB COC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 32104324 LJOUZUCIURSBCI-UHFFFAOYSA-N 316.338 1.387 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(O)c1Cc1ccccc1 101449724 WXNBMQOGFDLMEL-CYBMUJFWSA-N 306.387 1.848 0 40 DDAB CC(=O)Nc1cccc(CNC(=O)c2ccc3[nH]nnc3c2)c1 32360055 FSAKWTULWHUJGG-UHFFFAOYSA-N 309.329 1.846 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCO[C@@H]2CCC[C@H]21 53381181 WIHVNNLCCUFOFN-HUUCEWRRSA-N 312.373 1.969 0 40 DDAB CCCn1c(S)nnc1CNS(=O)(=O)c1ccccc1 12320973 YQWXMSDZNSYEGO-UHFFFAOYSA-N 312.420 1.455 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(F)cc1 569721 OVDVDWLNOUBERG-UHFFFAOYSA-N 308.342 1.349 0 40 DDAB Nc1ncnn1C(=O)c1ccc(COCC(F)(F)F)cc1 1018980 GYROJBWIKRTWAC-UHFFFAOYSA-N 300.240 1.628 0 40 DDAB O=C1CCCC(=O)N1CCCCCCN1C(=O)CCCC1=O 1734454 HUQSSAUBQZKBFY-UHFFFAOYSA-N 308.378 1.625 0 40 DDAB COc1ccc(S(=O)(=O)c2ccc(OC)c(N)c2)cc1N 1760489 BZBZZEGZMGWAKL-UHFFFAOYSA-N 308.359 1.701 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 4226908 AJKOHZLVHPKDEN-UWVGGRQHSA-N 302.808 1.994 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCC2 42747481 RQOLHJSMJANLSR-FZMZJTMJSA-N 322.430 1.450 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)c1 4318898 MZARILAIICLZPT-DZGCQCFKSA-N 320.389 1.854 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccnc1 1266781 MACREFQZRUDUIG-NSHDSACASA-N 314.297 1.211 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCn2c(nnc2C2CC2)C1 72268375 COADJZJOQCDDPW-VIFPVBQESA-N 300.366 1.993 0 40 DDAB COCCS(=O)(=O)N[C@@H]1CCSc2ccc(F)cc21 72230454 WMXSUFXYFBOZCK-LLVKDONJSA-N 305.396 1.928 0 40 DDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)o1 72287570 WVTWTXGNQQUGJE-CYBMUJFWSA-N 314.407 1.556 0 40 DDAB C[C@@H](Nc1ccc2c(c1)OCO2)c1nc(N)nc(N(C)C)n1 12549251 YCLUGJWCUGPBQL-MRVPVSSYSA-N 302.338 1.422 0 40 DDAB CCN1CCO[C@H](C(=O)N(C2CC2)[C@H](C)c2ccccn2)C1 107147627 RDQWXNCMWPZBPF-CJNGLKHVSA-N 303.406 1.854 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1Cc1ccccc1Cl 56276580 XZDKGKRREBSRQG-PWSUYJOCSA-N 309.797 1.930 0 40 DDAB COc1ccc(-c2cc(O)n([C@H]3CCS(=O)(=O)C3)n2)cc1 101449768 VJPNCPILLCPLGB-NSHDSACASA-N 308.359 1.624 0 40 DDAB C[C@@H]1CN(C(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)CCO1 48029966 MHIVDOQSXCWZIS-NEPJUHHUSA-N 324.812 1.594 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccsc2)CC1 26100412 HPFGVPHUNBGAGY-NSCUHMNNSA-N 314.432 1.302 0 40 DDAB O=C(Nn1c(C2CC2)n[nH]c1=S)c1ccc2c(c1)OCO2 9647730 WLPNCKZLHSFGAU-UHFFFAOYSA-N 304.331 1.931 0 40 DDAB O=C(CSc1nnc(-c2ccco2)o1)NC[C@@H]1CCCO1 3291966 MINLGHPQJGSDCY-VIFPVBQESA-N 309.347 1.717 0 40 DDAB C[C@H](NC(=O)CN1CCNC(=O)C1)c1cccc2ccccc12 57607759 QRGUFYUYZNGNQE-ZDUSSCGKSA-N 311.385 1.449 0 40 DDAB C[C@@H]1CCCN(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 44534070 RBQBFHCSJOQVAB-CQSZACIVSA-N 324.469 1.228 0 40 DDAB O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)NC1CC1 58018083 CYTGCMCVIZGNIE-UHFFFAOYSA-N 324.764 1.510 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CCS(=O)(=O)C1 44718058 CCWRTHVMADBHGW-LBPRGKRZSA-N 320.414 1.651 0 40 DDAB COc1ccc(OC)c(CN(CCC(=O)NC(N)=O)C2CC2)c1 27604983 CWHCPVQMVYJOHB-UHFFFAOYSA-N 321.377 1.253 0 40 DDAB Nc1ccc(NCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)c(O)c1 100702748 PHWDNIUYVWULSB-MNOVXSKESA-N 321.764 1.862 0 40 DDAB CCc1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 102210941 JIBXFNHOEJZNFZ-FIQHERPVSA-N 320.370 1.118 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCC2(CC1)OCCO2 58699328 AVOHQNLOQNZCCN-UHFFFAOYSA-N 321.373 1.830 0 40 DDAB CC(C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940966 YUFWPCFHZFIVGD-JTQLQIEISA-N 302.371 1.505 0 40 DDAB C[C@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCO1 29790376 PRDYAUQQYGZGHR-JTQLQIEISA-N 311.765 1.901 0 40 DDAB Cc1c(C(=O)COC(=O)[C@@H]2COCCO2)oc2ccccc12 46313242 GOTHASXCJJGOQF-AWEZNQCLSA-N 304.298 1.883 0 40 DDAB CC[C@@H](C)NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC)c1C 3543993 PPRJUOOFOKCTKE-MRVPVSSYSA-N 310.350 1.490 0 40 DDAB Cc1noc(C)c1COC(=O)CN1C(=O)COc2ccccc21 24720637 MMVXQUVSEDNWQA-UHFFFAOYSA-N 316.313 1.760 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1cnc2sccn2c1=O 65453866 GYWVTGHDJHSTAY-SNVBAGLBSA-N 307.375 1.255 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@H](N2CCCC2)C1 65418972 UWSJWMRCIDKUTB-HUUCEWRRSA-N 305.426 1.541 0 40 DDAB COC(=O)N1CCC[C@H](C(=O)NCCc2ccc(OC)cc2)C1 65591720 YQURLWGOKMUMNT-AWEZNQCLSA-N 320.389 1.832 0 40 DDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)NCc1ccccc1Cl 14129132 CMQBWXNBTLDSAA-SSDOTTSWSA-N 311.798 1.837 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 14182193 ADWKBVJZLLECFC-HNNXBMFYSA-N 314.316 1.980 0 40 DDAB O=C(CCC(=O)NCc1cccs1)NCc1ccccn1 4562344 MDVVIAJKIPNWDA-UHFFFAOYSA-N 303.387 1.856 0 40 DDAB Nn1c(-c2cccc(C(=O)O)c2)nnc1-c1cccc(C(=O)O)c1 90612870 FBOJVQHWWJXBET-UHFFFAOYSA-N 324.296 1.722 0 40 DDAB CN1CCC[C@@H]1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 71828222 MTIWUJIHOHUTSK-CQSZACIVSA-N 314.389 1.989 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cc1 8034908 UKZBVAWPSVUBLF-UHFFFAOYSA-N 324.446 1.931 0 40 DDAB CCOc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 71871359 TYZOGGPKZGQBTC-OAHLLOKOSA-N 320.433 1.543 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN2CCCC[C@H]2C1 71839923 RGVLYYKWLDBDOM-HNNXBMFYSA-N 311.389 1.578 0 40 DDAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CCCN(C(=O)C2CC2)C1 69442245 NRRKTGYFOXESDC-GFCCVEGCSA-N 312.373 1.572 0 40 DDAB COCC[C@H](C)NC(=O)NCCS(=O)(=O)c1ccccc1 69421374 DFMGTRYXMCPRND-LBPRGKRZSA-N 314.407 1.185 0 40 DDAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCS(C)(=O)=O 69454778 MYMIHVXTYKOXSF-LBPRGKRZSA-N 320.455 1.410 0 40 DDAB CN(C)c1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)ccn1 69536227 LEEITRGDFZAWIT-CABCVRRESA-N 302.422 1.846 0 40 DDAB O=C(CN1Cc2ccccc2C1=O)N1CCC[C@@H](n2ccnc2)C1 69655762 GBCLSRRHTAEJHG-OAHLLOKOSA-N 324.384 1.703 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCO1 9668481 YUMSDFJDPKMKDU-WFASDCNBSA-N 318.373 1.713 0 40 DDAB Cc1nc(C(=O)N2CCCN(c3cccnn3)CC2)cs1 69979272 VCTCPSNDWBQPJJ-UHFFFAOYSA-N 303.391 1.594 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269371 LEYQFISBZDGZIP-KBPBESRZSA-N 318.373 1.087 0 40 DDAB O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc[nH]c1=O 84522435 FOXXISZPXOJQMY-MRXNPFEDSA-N 311.385 1.942 0 40 DDAB CCN(CC)c1ccc(C(=O)NC[C@@H](O)c2cnn(C)c2)cc1 72304240 LVPAYJOOVIRARH-MRXNPFEDSA-N 316.405 1.730 0 40 DDAB O=C(Cc1ccccc1O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1 95397919 YWDJMTGOGKKEJO-UKRRQHHQSA-N 316.401 1.888 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cc(=O)n(C)c(=O)n2C)C1(C)C 84671180 LNRQGEBDPKPKJJ-OCCSQVGLSA-N 320.389 1.366 0 40 DDAB C[C@@H](CO)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 95407691 XEELWXVWVHQJSM-QWHCGFSZSA-N 309.385 1.151 0 40 DDAB Cc1nc(N2CCN(C(=O)C(C)C)CC2)c2c(n1)c(C)nn2C 28557503 LTARCLBRLNLIDN-UHFFFAOYSA-N 316.409 1.285 0 40 DDAB O=C(NCC1(O)CCC1)N1CCC[S@](=O)c2ccccc21 95964325 LWLBFAGSVGRJKQ-OAQYLSRUSA-N 308.403 1.629 0 40 DDAB Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccccc1 95980148 RYSSKZAWDXPQAA-CQSZACIVSA-N 321.402 1.789 0 40 DDAB CC(=O)N1CCN(c2cc(CNc3ccccn3)ccn2)CC1 95951840 YAGVJOROTVNMQO-UHFFFAOYSA-N 311.389 1.757 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCC[C@H](c2ncc[nH]2)C1 95972689 WAUHAPFBSPARSF-UWVGGRQHSA-N 304.316 1.656 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)N1CC[C@H]2CCCC[C@@H]21 74567434 OJXFYWWOCZANPJ-MNOVXSKESA-N 321.343 1.981 0 40 DDAB O=C(NC[C@H]1CCCCO1)c1ccc(-c2ccco2)[nH]c1=O 75125136 OPVOCCXSCKFKCD-LLVKDONJSA-N 302.330 1.934 0 40 DDAB CC1=NCCCN(CCO)CCCN=C(C)c2cccc1n2 1547138097 NJPOFKAQKVZZJY-UHFFFAOYSA-N 302.422 1.788 0 40 DDAB biogenic Cc1cc(=O)c2c(o1)C1(CCC3(CC1)OCCO3)CC(=O)O2 1547139552 SSKRFLMSHCRMDL-UHFFFAOYSA-N 306.314 1.812 0 40 DDAB biogenic C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)[C@@H]1CO 89929854 PFXGYPQGHQUNHI-MWLCHTKSSA-N 304.799 1.517 0 40 DDAB C[C@@H](Cc1ccsc1)NC(=O)N1CCC[C@@H](CC(N)=O)C1 76093961 XBZUXECQMIWATC-RYUDHWBXSA-N 309.435 1.976 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2ccccc2=O)c1 21996977 GNXUYAPSYRCKOS-GFCCVEGCSA-N 316.357 1.743 0 40 DDAB COc1ccc(C(=O)Nc2cnc(N(C)C)nc2)cc1OC 125034314 XOAUSDHIRBUKTR-UHFFFAOYSA-N 302.334 1.812 0 40 DDAB COc1ccccc1CC(=O)N(CCC(=O)O)C1CCOCC1 555499284 IJZNQKFAECWXLZ-UHFFFAOYSA-N 321.373 1.720 0 40 DDAB COCCCNC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 408999907 TWFOEDUJOVKPKT-CQSZACIVSA-N 306.362 1.803 0 40 DDAB O=C(CCF)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306133276 MHFMYRUGLXFMOX-AWEZNQCLSA-N 308.353 1.575 0 40 DDAB Cn1ncnc1CCCNC(=O)/C=C/c1ccc2c(c1)CCO2 521396463 PBWAUUVKPISPGO-FNORWQNLSA-N 312.373 1.512 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)C(=O)O 218552917 UIKGRSJWKLGRHI-NQBHXWOUSA-N 317.794 1.270 0 40 DDAB COCC(=O)N1[C@H]2CC[C@@H]1[C@]1(CC(=O)c3ccccc3O1)C2 72342949 PCJFIKYIBTUGTN-UXEPBGEESA-N 301.342 1.800 0 40 DDAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1C=CCCC1 560519113 CTDQMLDJWMQPNO-OAHLLOKOSA-N 323.437 1.276 0 40 DDAB Cc1ccccc1[C@H](O)CNC(=O)[C@@H](C(C)C)N1CCCC1=O 79028456 VANIFURUGRECGP-NVXWUHKLSA-N 318.417 1.792 0 40 DDAB Cc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)no1 48985370 RQUORXXKTBBVTA-LLVKDONJSA-N 317.320 1.791 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 79415644 MKTFKZXKTYBMSP-YOEHRIQHSA-N 301.434 1.989 0 40 DDAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCCC1 72324246 PQTWTEGEVYHFMN-ZDUSSCGKSA-N 314.389 1.877 0 40 DDAB COc1ccc(NC(=S)NCCN2CCCC2=O)c(OC)c1 225811611 CQIIHJLJCGSMCL-UHFFFAOYSA-N 323.418 1.613 0 40 DDAB Cc1ccoc1C(=O)N1CCCN(Cc2nccn2C)CC1 69814254 SVEUKZJYYZUHAZ-UHFFFAOYSA-N 302.378 1.670 0 40 DDAB CC(C)OC(=O)c1cc(N)ccc1NCCN1CCOCC1 225497194 GEBZFTUTMRCNCV-UHFFFAOYSA-N 307.394 1.578 0 40 DDAB C[C@H](CCNC(=O)N1CC(C)(C)OC(C)(C)C1)[S@](C)=O 195574898 NXMXFOVGJWHTIE-GIPWTMENSA-N 304.456 1.743 0 40 DDAB CCS(=O)(=O)CC(=O)Nc1ccc(F)c(-n2cccc2)c1 96404632 PZXCDUQNQDNLKA-UHFFFAOYSA-N 310.350 1.990 0 40 DDAB COCc1ncn2c1CN(C(=O)c1ccc3c(c1)OCO3)CC2 96085137 WJTKPAJCCYFTAG-UHFFFAOYSA-N 315.329 1.414 0 40 DDAB CNC(=O)CC1CCN(C(=O)Nc2cnn(CC(C)C)c2)CC1 96446019 SLUYLJUHOIQKHD-UHFFFAOYSA-N 321.425 1.919 0 40 DDAB Cn1cc(N2CC[C@]3(CCCN(c4ncccn4)C3)C2=O)cn1 96048782 YIKNXUPMGKSGAU-INIZCTEOSA-N 312.377 1.234 0 40 DDAB Cc1oncc1C(=O)N1CCn2c(Cn3cccn3)cnc2C1 96201104 UVAJZHZQLOZVMU-UHFFFAOYSA-N 312.333 1.080 0 40 DDAB COCC[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn21 247848864 NVQAMBJTFURWJL-ZDUSSCGKSA-N 322.390 1.060 0 40 DDAB O=C(C1CCOCC1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247843224 GDQSHWYBRZXTDB-CQSZACIVSA-N 311.447 1.926 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 257317221 VIWLWYHCOVDEPP-CQSZACIVSA-N 303.337 2.000 0 40 DDAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cc(O)nc(O)n1 257271799 MZVPOBNZNYOGGM-SNVBAGLBSA-N 303.322 1.287 0 40 DDAB CC(=O)N1CCCN(Cc2ccnc([C@@]3(C)CCCO3)n2)CC1 257201159 AGNVBUGGLYYSOB-QGZVFWFLSA-N 318.421 1.556 0 40 DDAB COc1ccccc1C(=O)N1CCC2(CC1)OCCC[C@H]2O 257301270 RXSHBKGWNRFERE-OAHLLOKOSA-N 305.374 1.841 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 252514968 FOCCYJDNKLSTBP-RBSFLKMASA-N 315.410 1.708 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257255787 KIVXCDGAIHSYNL-GFCCVEGCSA-N 310.361 1.630 0 40 DDAB C=CC(=O)NC[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H](CNC(=O)C=C)C[C@H]21 255187496 DXVBNLBQGUEJQN-JXEZDRHFSA-N 302.418 1.889 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2cc[nH]c2C2CC2)C[C@@H]1C 252500600 SYUJREPUDRFHCJ-LBPRGKRZSA-N 319.405 1.602 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cnn(C)c2)n1 257245841 IRHHQFSSXFHKKX-HNNXBMFYSA-N 314.393 1.183 0 40 DDAB CCCn1ccc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)n1 257292012 QJPQPIJYEYMZMB-HOCLYGCPSA-N 307.394 1.703 0 40 DDAB Cc1c[nH]nc1[C@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 257227078 FNNIZDQFXHJOII-AWEZNQCLSA-N 300.410 1.954 0 40 DDAB COCCC(=O)N1CCN(C(C)=O)C[C@H]1c1ccc(OC)cc1 257208077 BKQGWDMCMFTEKP-INIZCTEOSA-N 320.389 1.464 0 40 DDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 257256987 KNQBYVZBVLELIX-CQSZACIVSA-N 300.362 1.646 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(Cc3ccn(C)n3)C2)c1 585269200 LKCWRZDGZRWBJM-QGZVFWFLSA-N 301.390 1.744 0 40 DDAB Cn1cncc1CN1CC[C@@](O)(COc2ccc(F)cc2)C1 585269353 QGVCCGANANUEQT-INIZCTEOSA-N 305.353 1.575 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cncc(C)n1)[C@H]2C 585098081 TWWWJDPUIRRDMS-LBPRGKRZSA-N 302.382 1.490 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)n(C)n1 66247799 UAMPXNFDVATBHW-UHFFFAOYSA-N 319.342 1.636 0 40 DDAB CN(C1CC1)S(=O)(=O)N(CCc1cccs1)CC(=O)O 681587459 ZBDJMUDIZQUYDW-UHFFFAOYSA-N 318.420 1.016 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(Cc3ncnn3C)C2)nc1 1776000823 LRHXIELJPSODRE-ZDUSSCGKSA-N 302.382 1.205 0 40 DDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@H](C(N)=O)C1 53894701 XDAHHQFPKLHYCH-RISCZKNCSA-N 302.374 1.276 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)Cc1ccon1 76094824 XMKJTIRDGQRWMI-KBPBESRZSA-N 320.370 1.733 0 40 DDAB O=C(c1cc2ccccc2o1)N1CCN(C[C@@H](O)C2CC2)CC1 85436670 PUPAPGRRAXHIHV-OAHLLOKOSA-N 314.385 1.962 0 40 DDAB COc1ccc2c(=O)n(Cc3noc(C(C)C)n3)cnc2c1 95980514 XKGNKGMKUGULMB-UHFFFAOYSA-N 300.318 1.960 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 5250973 VNORBRKGVLGGPJ-UHFFFAOYSA-N 304.346 1.845 0 40 DDAB CN1CCC(N(C)C(=O)CCn2cnc3ccccc32)CC1 5389169 LOWMEMVVCATPFC-UHFFFAOYSA-N 300.406 1.979 0 40 DDAB CCCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199382 FJPDIICNGCBXSP-UHFFFAOYSA-N 310.375 1.418 0 40 DDAB Cc1ccc(CNC(=O)C[C@H]2CSc3nccc(=O)n32)cc1 12236185 HFGPHJROSROOEU-ZDUSSCGKSA-N 315.398 1.905 0 40 DDAB CCN(CC)CCNCc1cc2cc3c(cc2[nH]c1=O)OCO3 19823972 CCIHXFKAMBIZMX-UHFFFAOYSA-N 317.389 1.688 0 40 DDAB COc1cccc(NC(=O)NCCN2CCC(O)CC2)c1OC 206610589 AGEIAOFXWNGZLQ-UHFFFAOYSA-N 323.393 1.282 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)NC1CCOCC1)OC 225558322 DCPLYOVUTJQTII-OAHLLOKOSA-N 308.378 1.861 0 40 DDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccnn1 643585224 VMKWKLKSDWSWNI-DAXOMENPSA-N 313.357 1.425 0 40 DDAB C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)NC1CCCC1 6055321 ZGCLGWMWSLPDJH-IAQYHMDHSA-N 319.357 1.817 0 40 DDAB Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1 6078516 JPAMPMQILQCTKO-UHFFFAOYSA-N 322.371 1.426 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)c2ccc(OC)nc2)n1 11172188 DRBPGAIQLJTLHC-UHFFFAOYSA-N 321.358 1.905 0 40 DDAB Cc1nc(C)c(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1 1888843403 KKJQWDXYPGHIIC-UHFFFAOYSA-N 302.382 1.415 0 40 DDAB FC(F)(F)c1cccc(OC2CN(CCn3nccn3)C2)n1 1888844191 VTXNULIBZWTEEB-UHFFFAOYSA-N 313.283 1.455 0 40 DDAB COc1ccnc(N2CCN(c3ncnc4cnccc34)CC2)n1 1889139889 ZJDPOFUIXXVSMR-UHFFFAOYSA-N 323.360 1.150 0 40 DDAB Cc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1 23626463 BPSNLUIGYUKTMP-SNVBAGLBSA-N 320.374 1.930 0 40 DDAB CC(=O)N1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055730040 URGMGNTYRZEMOO-SRCQZFHVSA-N 317.389 1.826 0 40 DDAB CSc1ccccc1NC(=O)C(=O)NCc1nnc(C)o1 38718307 LVCCDTDNMBIIAX-UHFFFAOYSA-N 306.347 1.355 0 40 DDAB COc1ccc(S(=O)(=O)Nc2c(C)nc(OC)nc2C)cc1 585436186 XKDUTTWSTRMIRG-UHFFFAOYSA-N 323.374 1.911 0 40 DDAB O=c1ccncn1CC1CCN(c2ncnc3[nH]ccc23)CC1 585638035 YRUMYWRNMGKXLG-UHFFFAOYSA-N 310.361 1.431 0 40 DDAB O=C([C@@H]1COCCO1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50379400 RXDFDWLLVVMIRC-HOTGVXAUSA-N 323.364 1.749 0 40 DDAB CC(C)COCCCNC(=O)Cc1n[nH]c(=O)c2ccccc12 40464897 SSZPZNVUODRHEP-UHFFFAOYSA-N 317.389 1.645 0 40 DDAB NC(=O)[C@H](NCc1cnc(N2CCCC2)nc1)c1ccccc1 51187770 SYGRFKLUOMIVKE-OAHLLOKOSA-N 311.389 1.393 0 40 DDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cnn(-c2ccccc2)n1 40534870 GIKQKSSFUSXXML-GDBMZVCRSA-N 311.389 1.624 0 40 DDAB CCOC(=O)N[C@H](C(=O)N1CCC2(CC1)OCCO2)C(C)C 32914467 XBBLAJKEBOFCFD-LBPRGKRZSA-N 314.382 1.123 0 40 DDAB CC(C)COc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 41530148 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O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCCCC1 4120301 RDEGNBRMRGWRIT-CUFDPUGPSA-N 302.374 1.196 0 40 DDAB CCc1nc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cs1 42643278 BFPZISLMDHFCRD-CYBMUJFWSA-N 323.462 1.776 0 40 DDAB CCCN1C(=O)/C(=C\NCC2CCCCC2)C(=O)NC1=S 6907420 YATKPDRIXMBIAA-BENRWUELSA-N 309.435 1.694 0 40 DDAB O=C(COC(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCO2 7255125 ZFCSMANDVZMEQW-UHFFFAOYSA-N 316.265 1.866 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C3=COCCC3)CCO2)n1 76046147 JGDGXTTXFOXJPP-LBPRGKRZSA-N 320.393 1.696 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(C)n2)c2ccccc2O1 25349938 ZJYIWNGVPOYOFP-HNNXBMFYSA-N 311.341 1.544 0 40 DDAB COc1nn(C)cc1C(=O)N1CCN(c2ccccc2)CC1 8842364 PUDQTAULRPPLTB-UHFFFAOYSA-N 300.362 1.391 0 40 DDAB CC[C@H](C)OC(=O)CSc1nnc(-c2ccncc2)n1N 1789698 TZCFSUARBFAXFA-VIFPVBQESA-N 307.379 1.488 0 40 DDAB CC(C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940964 YUFWPCFHZFIVGD-SNVBAGLBSA-N 302.371 1.505 0 40 DDAB O=C(NC[C@@H]1CCOC1)c1nc(N2CCCC2)ncc1Cl 44519913 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O=C(NS(=O)(=O)c1ccc(Cl)s1)C1=COCCC1 89800140 NRBFZFBHVFSQDS-UHFFFAOYSA-N 307.780 1.901 0 40 DDAB CS(=O)(=O)/N=C(\O)CCNC(=O)c1ccc(F)cc1Cl 48481051 CUEKSKRQKOQSDN-UHFFFAOYSA-N 322.745 1.515 0 40 DDAB COC(=O)C[C@H]1S/C(=C/C(=O)Nc2ccc(C)cc2)NC1=O 3768421 NMFGTPKUQLJWOD-KAQJVSAMSA-N 320.370 1.570 0 40 DDAB Cc1cc(=O)c(O)c(CN2CCN(c3ccccc3)CC2)o1 71281004 FTYORBNGOIVWEB-UHFFFAOYSA-N 300.358 1.976 0 40 DDAB CCCN(CC(F)F)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 84755156 QQULHHCBZRTKKB-RNCFNFMXSA-N 306.378 1.944 0 40 DDAB COC[C@@H](C)NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 65437259 KKCATIYXSNTRMQ-SNVBAGLBSA-N 304.350 1.099 0 40 DDAB COc1ccc(CNC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 14014650 ZDJHWBPZRPVRFH-HZSPNIEDSA-N 306.406 1.809 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1N=C(C(F)F)C[C@]1(O)C(F)F 6413840 JYVSXFUIBJJICF-LBPRGKRZSA-N 320.246 1.708 0 40 DDAB Cc1cc(I)cc2c(=O)oc(=O)[nH]c12 21987476 ARJUBKFFRMOQTO-UHFFFAOYSA-N 303.055 1.394 0 40 DDAB CN1CCN(c2ncccc2CNC(=O)N2CCCC2)CC1 66888466 JOXIVLIZNFQPDW-UHFFFAOYSA-N 303.410 1.139 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)nc1)CC2 89986442 FHKJAVHYNJHZLP-CABCVRRESA-N 304.390 1.782 0 40 DDAB Nc1cc(F)ccc1C(=O)OCC(=O)NCc1ccccc1 7374302 YJOPCGFQUWQUGS-UHFFFAOYSA-N 302.305 1.881 0 40 DDAB Cc1c(I)c(C(F)F)nn1CC(=O)O 408717695 OOTJVATTWSTMSB-UHFFFAOYSA-N 316.045 1.818 0 40 DDAB COc1ccsc1C(=O)N1CCC[C@H]1CN1CCOCC1 80943646 GWXHHMNREFDIHB-LBPRGKRZSA-N 310.419 1.694 0 40 DDAB O=C(Nc1nncs1)c1ccc(S(=O)(=O)NC2CC2)cc1 8048359 ODRGRVRROBDZMV-UHFFFAOYSA-N 324.387 1.231 0 40 DDAB CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1nnc2n1CCC2 69322230 WVUQWSLZMQTKFP-CYBMUJFWSA-N 322.457 1.342 0 40 DDAB Cc1ccc(NC2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)nn1 71863556 VLJHQILDONXIMB-CYBMUJFWSA-N 314.393 1.646 0 40 DDAB CN(CC(N)=O)C(=O)COc1ccccc1Cc1ccccc1 71851691 SGCFHZCIMSQWGC-UHFFFAOYSA-N 312.369 1.600 0 40 DDAB C[C@@H](OCC1CC1)C(=O)N1CCCN(c2cccnn2)CC1 71860359 RMEKLEBYVPQLLJ-CYBMUJFWSA-N 304.394 1.330 0 40 DDAB Cc1ccccc1OCCCNC(=O)N[C@@H]1CCCCNC1=O 71856663 ONINPHUKRQDUIZ-CQSZACIVSA-N 319.405 1.732 0 40 DDAB C[C@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccc(F)cc1 69667229 KOYHYNNLOFNAHP-SWLSCSKDSA-N 321.396 1.972 0 40 DDAB Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)on1 71826723 PAEBHKLEHBJHTG-LLVKDONJSA-N 305.309 1.196 0 40 DDAB Cc1ccccc1CS(=O)(=O)NCCCn1ccccc1=O 69778080 MWWJZPOVHATVRG-UHFFFAOYSA-N 320.414 1.666 0 40 DDAB CC1=C(C)[C@H](NCC(N)=O)N(CCc2ccc(Cl)cc2)C1=O 96501760 RHXRIKZAYRXENH-OAHLLOKOSA-N 321.808 1.462 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)CC[C@H]3CCCO3)CCO2)n1 83829874 RZBFFZFSNASOLZ-NEPJUHHUSA-N 308.382 1.226 0 40 DDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCC[C@@H](C)C1 69896802 BWPIUENNXCPVJP-SNVBAGLBSA-N 316.405 1.679 0 40 DDAB CCCNC(=O)CN(CCC)C(=O)C(=O)c1ccc(OC)cc1 71921731 HRIMHUFRCMWFGX-UHFFFAOYSA-N 320.389 1.643 0 40 DDAB COC(=O)c1ccc(Cl)c(CN2C[C@H]3[C@@H](C2)OCCN3C)c1 97080421 YUFYDNXWCXWMSM-LSDHHAIUSA-N 324.808 1.641 0 40 DDAB O=C(Nc1ncnc2nc[nH]c12)c1cc(=O)c2ccccc2o1 72238516 IYKAVAGADFTQMD-UHFFFAOYSA-N 307.269 1.712 0 40 DDAB CN1CCC[C@@H](NC(=O)NCCOc2ccc(F)cc2F)C1 72270147 HFQPQOASNDFYHE-GFCCVEGCSA-N 313.348 1.737 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)s1 72269388 FBWVPLHDXFXMSI-ZIAGYGMSSA-N 308.447 1.982 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1cnn(C)c1 72298355 LNFHIGQRCFJXDI-HOCLYGCPSA-N 303.410 1.638 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)C2 72292643 IRGLTJFFHZKRSA-ZFWWWQNUSA-N 315.348 1.765 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)Nc2ccncc2F)c1CC 97135756 XUHGUGLRHVKAAZ-UHFFFAOYSA-N 319.340 1.751 0 40 DDAB CC(=O)c1cccc(NC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c1 72306034 APTPLQQFBVJTEU-HZPDHXFCSA-N 317.389 1.562 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)c(C)c1 36635289 SOKKKLOBCRSVKK-GFCCVEGCSA-N 303.387 1.946 0 40 DDAB Cc1ccnn1CCNC(=O)c1cc(C2CC2)nc2c1cnn2C 36616437 GQZFGJXDMZMVRB-UHFFFAOYSA-N 324.388 1.781 0 40 DDAB Cc1nnc(C(=O)NCc2ccc(N3CCCC3)nc2)s1 183330256 PWBPFSMXTPNPGO-UHFFFAOYSA-N 303.391 1.772 0 40 DDAB CCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241328 KAAZGRRYIPVYLX-KBPBESRZSA-N 310.781 1.765 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 73274189 ZCUSDDJVHZLCLI-SUMWQHHRSA-N 304.390 1.736 0 40 DDAB Cc1ncsc1C(=O)NC[C@H]1CCCN1c1ncccn1 606440863 XRCDJDACWMQJNW-LLVKDONJSA-N 303.391 1.640 0 40 DDAB O=S(=O)(c1cccc(Cl)c1F)N1CCCn2ncnc21 78556760 NLMMYZKVETVRFY-UHFFFAOYSA-N 316.745 1.670 0 40 DDAB CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)nn1 132965533 MUMNXJDGCIVGNW-SNVBAGLBSA-N 315.381 1.502 0 40 DDAB COc1ccc(C(=O)NCCSc2ncn[nH]2)cc1OC 222933332 HQMVPSMHYASMFQ-UHFFFAOYSA-N 308.363 1.344 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 69740720 SVCQRUWGRVJXOG-CQSZACIVSA-N 324.388 1.951 0 40 DDAB O=C(NCCc1cscn1)c1cc(N2CCOCC2)ccn1 130793729 FHRFADIUVMNOSI-UHFFFAOYSA-N 318.402 1.347 0 40 DDAB COc1cnc(O[C@H]2CCN(Cc3csc(C)n3)C2)nc1 1206808783 TVMUPNUJRVGYKN-LBPRGKRZSA-N 306.391 1.903 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccccc2OCc2nnnn2C)C1 96101389 RMKKTOHJTAFPTE-LBPRGKRZSA-N 315.377 1.661 0 40 DDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccoc1 96447570 HRWHAOPFISACFX-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB CNC(=O)c1cccnc1N(C)C[C@H](O)c1ccc(F)cc1 96429413 AJMGMJHRLIIYOB-AWEZNQCLSA-N 303.337 1.750 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2occc2C)C3)n1 96038739 QZWKSMMTWUUOOA-MLGOLLRUSA-N 317.345 1.852 0 40 DDAB COCC(=O)N1C[C@@H](OCc2ccncc2)[C@@H]2OCCC[C@@H]21 96058141 NSHIZZPXQIPILS-SQWLQELKSA-N 306.362 1.003 0 40 DDAB O=C1C[C@@]2(CCN(Cc3nccs3)C2)CN1c1cncnc1 96050828 ZWAGOXFGMBEUGZ-OAHLLOKOSA-N 315.402 1.562 0 40 DDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@@H]2CCOC2)cs1 96186378 CBZZKGIFMIXOKH-RBSFLKMASA-N 321.446 1.806 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2c3ccccc3CC[C@@H]12 95443501 TYSBDMDLJCGTSG-MPGHIAIKSA-N 316.401 1.183 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 96412755 NFNIZQBCLLEPDE-LQJRIPTKSA-N 310.781 1.811 0 40 DDAB CS(=O)(=O)CCN1CCC[C@H]1C(=O)NCC1CCCCC1 95436570 HBTREJNWLDSWRQ-AWEZNQCLSA-N 316.467 1.192 0 40 DDAB C[C@H](Cc1ccc(Cl)cc1)NC1CCN(CC(N)=O)CC1 91282456 PXFLJOLNGFCWJM-GFCCVEGCSA-N 309.841 1.810 0 40 DDAB C[C@@H]1CN(C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H](C)O1 245344104 XNOWSQITMDVGQK-CNRIWFPOSA-N 310.438 1.368 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2CCC(F)(F)F)c1 257248258 JCVUDEBMMDDPKB-ZDUSSCGKSA-N 315.339 1.945 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CC[C@H](O)[C@]2(CCCO2)C1 257338213 YWLPYQVBFMHGRI-BBRMVZONSA-N 301.346 1.319 0 40 DDAB Cc1cc(N2CCC[C@H](Cc3cc(C(N)=O)ncn3)C2)ncn1 257330582 XOZOMYJSUAYBQQ-GFCCVEGCSA-N 312.377 1.133 0 40 DDAB CO[C@@H]1CN(c2cc(N3CCSCC3)ncn2)CC[C@H]1C 252536106 HPMOLZIFVIENRG-CHWSQXEVSA-N 308.451 1.891 0 40 DDAB COc1ccccc1CCNC(=O)N1CCC(C(N)=O)CC1 26523388 WUJXSRRCQQNXFU-UHFFFAOYSA-N 305.378 1.145 0 40 DDAB Cc1ccnc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257340789 ZHOITTZHZVBEEU-CQSZACIVSA-N 319.386 1.547 0 40 DDAB C[C@H]1CO[C@H](C)CN1Cn1nc(-c2ccc(F)cc2)oc1=O 26667259 WUQGUWDAMIDQIH-WDEREUQCSA-N 307.325 1.709 0 40 DDAB Nc1nccnc1[C@H]1CN(CCOc2ccc(F)cc2)CCO1 257258687 KVCGHDJQTNHNHU-CQSZACIVSA-N 318.352 1.650 0 40 DDAB Cc1nccc(N2CCC(C)(c3ncc(C(N)=O)s3)CC2)n1 257266740 MEHMGGHQZCUQLP-UHFFFAOYSA-N 317.418 1.899 0 40 DDAB O=C1CN(C2CC2)C(=O)[C@@H](c2ccccc2Br)N1 390825770 ALRMGWFQGIFYKQ-GFCCVEGCSA-N 309.163 1.611 0 40 DDAB COC(=O)C1=NO[C@@H](CSc2nnnn2C2CCCC2)C1 299026326 JPWRVQQYMLZMQF-SECBINFHSA-N 311.367 1.198 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@@H]21 585109083 SQZNRIGHPOVHHP-FRRDWIJNSA-N 308.403 1.502 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@@H]2C 585098316 WACJLYBHMZNXPZ-LLVKDONJSA-N 301.350 1.345 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(F)c(C)c2)CC1 70040987 UEBSTCCAPFRSTD-HNNXBMFYSA-N 324.396 1.289 0 40 DDAB CCCN(CCC)S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 46799017 RAHXRHHSHTWACE-CYBMUJFWSA-N 313.423 1.169 0 40 DDAB CCONC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58355813 JRAXPXPYBLFZJJ-NSHDSACASA-N 306.318 1.088 0 40 DDAB CNC(=O)COc1ccc(CNC(=O)N2CCCCCC2)cc1 57117318 IGLOHGMENIEGNT-UHFFFAOYSA-N 319.405 1.897 0 40 DDAB C[C@H](O)CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 86013891 YBOCWQBKUUVJDQ-QMMMGPOBSA-N 313.297 1.634 0 40 DDAB CCCCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O 13453747 PSDNMGMSRKQQNA-UHFFFAOYSA-N 313.423 1.779 0 40 DDAB O=C(C[C@H]1CSc2nccc(=O)n21)NCc1ccc(F)cc1 14031052 FZLOPSXSHVZOAY-LBPRGKRZSA-N 319.361 1.736 0 40 DDAB CCCCC(c1c(O)nc(C)[nH]c1=O)c1c(O)nc(C)[nH]c1=O 16637713 FXAXKORERFLUGX-UHFFFAOYSA-N 320.349 1.203 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169682321 KVMAWRQFOJLWOB-PLJUSGQGSA-N 309.321 1.942 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 3610082 CUGVENXYLLAABB-OAHLLOKOSA-N 312.325 1.825 0 40 DDAB O=C(Cn1ccn2nccc2c1=O)NCc1ccc(Cl)cc1 1888941900 MTYUYJIDXSLRBJ-UHFFFAOYSA-N 316.748 1.466 0 40 DDAB CC(C)c1noc(CN2CCO[C@H](C(=O)N3CCCC3)C2)n1 1889111395 LSQJEEVAOWEIJJ-LBPRGKRZSA-N 308.382 1.016 0 40 DDAB CCn1cc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cn1 2037981140 WNTPDTNWEOUKBZ-MRXNPFEDSA-N 306.410 1.116 0 40 DDAB Cn1cnc(C(=O)N2CCc3ncnc(-c4ccoc4)c3CC2)n1 1565555003 NLBHMVRQAYIGAT-UHFFFAOYSA-N 324.344 1.106 0 40 DDAB CN(C)Cc1noc2c1C[C@H](NC(=O)c1cccnc1)CC2 2055732422 KSCZTHVUFQYVSJ-GFCCVEGCSA-N 300.362 1.419 0 40 DDAB O=C(NC1CCC1)[C@@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055716071 WSIORJHFHBUWBM-GFCCVEGCSA-N 316.405 1.350 0 40 DDAB Cc1cc(N2C[C@H]3CN(C(=O)C4CCCC4)C[C@H]3C2)ncn1 585415257 GFSUHRWUWNPFQM-GASCZTMLSA-N 300.406 1.870 0 40 DDAB COc1ccc(C(=O)N2CC(Nc3ncccn3)C2)cc1F 244983883 IVEVDHXTWKRNKH-UHFFFAOYSA-N 302.309 1.561 0 40 DDAB CC(Nc1ccc2c(c1)CCC2)=C1C(=O)N(C)C(=O)N(C)C1=O 8565058 WDUWYNYCPVJTHG-UHFFFAOYSA-N 313.357 1.912 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CN1CCc2ccccc21 51183480 OBWMRQUVRFLKGA-JSGCOSHPSA-N 301.390 1.162 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)Nc2nnc(C)s2)cc1 40526494 PHBXZZAZKYLMRM-NSHDSACASA-N 308.363 1.710 0 40 DDAB Cc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 341458 WNXWYCNZVRRYSP-UHFFFAOYSA-N 311.345 1.274 0 40 DDAB CC(=O)N[C@@H](C(=O)N(C)CCOc1ccccc1C)C(C)C 32788588 PHGNQVTWRXACIQ-MRXNPFEDSA-N 306.406 1.993 0 40 DDAB COc1ccc2c(CC(=O)N3CC[C@@H](C(N)=O)C3)coc2c1 41130367 KYCHWCLCKFTGLJ-SNVBAGLBSA-N 302.330 1.318 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 33210220 NIQJXYHQWPGVSR-CFNZNRNTSA-N 316.357 1.556 0 40 DDAB Cc1cc(C)cc(NC(=O)CSc2nc(N)cc(N)n2)c1 420624 CBTSFOFGBFOUIM-UHFFFAOYSA-N 303.391 1.989 0 40 DDAB COC(=O)CS[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 22973051 MSTSLGJZLNMRDB-QMMMGPOBSA-N 309.343 1.495 0 40 DDAB Cn1ccnc1CCNS(=O)(=O)N1CCC[C@H]1c1ccco1 78880248 XCGHCQZLRXMJKZ-LBPRGKRZSA-N 324.406 1.227 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc2oc(=O)ccc2c1 54251923 RWAIQKJLWOXKGC-GWCFXTLKSA-N 314.341 1.894 0 40 DDAB NC(=O)CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O 4852988 XZGRNPMILWZRBI-UHFFFAOYSA-N 313.741 1.602 0 40 DDAB CCN(CC)CCNC(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 3149432 CJRVUEQOEARPSD-GFCCVEGCSA-N 316.405 1.485 0 40 DDAB CNC(=O)Cc1ccc(NCC(=O)Nc2cc(C)on2)cc1 12545042 GNERIBGQUPHSFC-UHFFFAOYSA-N 302.334 1.322 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccoc1C 24605665 QPXPXFBFBWYQSW-UHFFFAOYSA-N 322.386 1.567 0 40 DDAB CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 24748785 OTFNTPBMHFXJAA-SECBINFHSA-N 311.179 1.890 0 40 DDAB C[C@H](CNC(=O)c1ccc(-n2cccn2)nc1)CN1CCCC1 55539927 MFRKADJCUCBKQE-CQSZACIVSA-N 313.405 1.729 0 40 DDAB Clc1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)nc1 84428992 VAFLPQOOPQJQMB-OCCSQVGLSA-N 311.813 1.884 0 40 DDAB CC(C)N(Cc1ccccn1)C(=O)CCNC(=O)[C@H]1C[C@H]1C 55739121 XVDLZJZUUPOIKW-HIFRSBDPSA-N 303.406 1.981 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 35220537 NRBFPSJBXUBMRO-TXEJJXNPSA-N 318.439 1.094 0 40 DDAB COc1ccc([C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1F 44261550 BBNAIBBUXGKZNI-WBMJQRKESA-N 322.336 1.588 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N(CCc1ccccc1)[C@@H]1CCOC1 84528738 OZYJQXWVHZKEKP-MRXNPFEDSA-N 312.369 1.849 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 62119719 LJLHDJNRXQJAPB-ZCFIWIBFSA-N 309.265 1.199 0 40 DDAB CCc1nnc(CN2CCN(C(=O)N3CCCCC3)CC2)o1 44895659 GWUUTKGHDMIWQU-UHFFFAOYSA-N 307.398 1.356 0 40 DDAB NC(=O)Cn1ccc(NC(=O)/C=C/c2c(F)cccc2F)n1 58247023 XAQUVZWSIRRXRL-SNAWJCMRSA-N 306.272 1.299 0 40 DDAB O=C(CCN1C(=O)CCC1=O)NCCCOc1ccc(F)cc1 58281362 MPNKUOXNPJQCBC-UHFFFAOYSA-N 322.336 1.250 0 40 DDAB Cc1ccc(OCC(=O)c2ccc[nH]2)c(S(=O)(=O)N(C)C)c1 44978355 NFNBIUACEPBTMW-UHFFFAOYSA-N 322.386 1.835 0 40 DDAB CN(C)c1ncccc1C(=O)N1CCc2c(ncn2C2CC2)C1 95393737 KESORGYHKIPAMF-UHFFFAOYSA-N 311.389 1.878 0 40 DDAB NC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccnc4)nc3c2)C1 57327025 CAWTVFNWTCVYCB-NSHDSACASA-N 322.324 1.728 0 40 DDAB O=C(CN1CCC(n2cncn2)CC1)NCc1ccccc1F 58369286 CTWVDSHZNBXXEK-UHFFFAOYSA-N 317.368 1.371 0 40 DDAB C[C@H](c1ccccn1)N(C)C(=O)c1ccnc(-n2cncn2)c1 58357792 ZBKMTDWAUMKJKP-GFCCVEGCSA-N 308.345 1.891 0 40 DDAB O=C1NCc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc21 58473483 RCMSONRCGLEUEM-NWDGAFQWSA-N 300.314 1.536 0 40 DDAB CC(=O)N1CC[C@H]2[C@H](C[C@@H](CN(C)C)N2c2nccs2)C1 107203058 NCHPHYPUXBUECH-RDBSUJKOSA-N 308.451 1.520 0 40 DDAB O=C(Nc1ccccc1N1CCCC1)N[C@H]1CCS(=O)(=O)C1 48310997 HFADQDRCVWIUOG-LBPRGKRZSA-N 323.418 1.595 0 40 DDAB COS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1 29786636 YVWBLOGFTFHGMC-GJZGRUSLSA-N 306.387 1.909 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 3430737 IVKKKJSZLOLCEN-KRWDZBQOSA-N 315.373 1.962 0 40 DDAB CNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3434571 KKGMQRLFMGMPAR-UHFFFAOYSA-N 319.144 1.535 0 40 DDAB COC(=O)CN1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)OC 20220530 SMEJGHYJWUJMOH-AWEZNQCLSA-N 302.330 1.241 0 40 DDAB biogenic,in-vitro CC(=O)Nc1nc2ccc(C(=O)Nc3nc[nH]n3)cc2s1 13689505 WLNRQZPFBTXHOM-UHFFFAOYSA-N 302.319 1.625 0 40 DDAB CCCN(C(=O)Cn1ncn(C)c1=O)c1ccc(Cl)cc1 97048348 BVTDWDDIZXWVDL-UHFFFAOYSA-N 308.769 1.678 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 6176266 YONGAIVTZAFQJW-GFCCVEGCSA-N 315.373 1.728 0 40 DDAB NC(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 6290323 UHBRUBRGARHWQK-UHFFFAOYSA-N 310.353 1.749 0 40 DDAB Cc1nc2c(cc1C(=O)NC[C@H](C1CC1)N(C)C)c(C)nn2C 65467086 OGTSRWDQJXNFBR-OAHLLOKOSA-N 315.421 1.655 0 40 DDAB C[C@@H]1CCCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)C1 65539299 QOHUFLOPFABEAE-HIFRSBDPSA-N 317.389 1.596 0 40 DDAB CCCC(=O)Nc1ccc(OC[C@@H](O)CNCC)c(C(C)=O)c1 65739915 BKGQPZMMLAGZCQ-AWEZNQCLSA-N 322.405 1.977 0 40 DDAB in-vitro CCN(C(=O)CSc1nc(N)cc(=O)[nH]1)c1cccc(C)c1 4678467 FGDNIOBZIOUNNI-UHFFFAOYSA-N 318.402 1.806 0 40 DDAB O=C(Cn1nnc2ccccc21)NC1(C(=O)O)CCCCC1 72277007 KAUCPVIPAXFIAI-UHFFFAOYSA-N 302.334 1.335 0 40 DDAB COc1cccc(NC(=O)[C@H](C)OC(=O)C2=COCCO2)c1 7655370 MLNXPAMPXZTDBO-JTQLQIEISA-N 307.302 1.454 0 40 DDAB C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NC1CC1 7602168 YJKWAHRNYPOEHE-KFEJWOFMSA-N 303.314 1.639 0 40 DDAB CC(=O)Nc1cccc([C@H](C)NC[C@H]2CN3CCN2CC3)c1 90647414 CEMIZWALUMOYFZ-GUYCJALGSA-N 302.422 1.295 0 40 DDAB CCO[C@@H](C)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 72295375 MQLOELFDHZZEEV-CVEARBPZSA-N 319.449 1.738 0 40 DDAB c1cc(CNc2nccn3cnnc23)cc(Cn2cncn2)c1 72289824 HRLKIIBCHFNGAR-UHFFFAOYSA-N 306.333 1.376 0 40 DDAB CCc1noc(CN2CCCN(Cc3noc(C)n3)CC2)n1 71871615 ARYXGHCFHDXNNI-UHFFFAOYSA-N 306.370 1.031 0 40 DDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)CC(=O)OC)C1 71853827 JZQYCUHQYRKIES-AVGNSLFASA-N 312.410 1.339 0 40 DDAB C[S@](=O)c1nncn1CC(=O)N[C@@H](c1ccccc1)C1CC1 71899927 KLDYTLBZJOZOAI-RCDICMHDSA-N 318.402 1.283 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 69369531 HMFUXQLYKHSLCW-HNNXBMFYSA-N 318.417 1.966 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H](N2CCNC2=O)C1 71830575 KWBJHALHDDWEBM-NSHDSACASA-N 313.361 1.193 0 40 DDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](n2cccn2)C1 69519404 PDZYEYIAGLPRAW-JSGCOSHPSA-N 302.378 1.058 0 40 DDAB CCc1noc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 69667180 SRNOCVDFCGXRKV-HNNXBMFYSA-N 316.405 1.483 0 40 DDAB Cc1cc(NCC(=O)NCc2ccccc2F)ccc1C(N)=O 69630496 BBYHPUNUBPHQKC-UHFFFAOYSA-N 315.348 1.961 0 40 DDAB CCO[C@H]1C[C@H](N(C)c2ccc3nnnn3n2)C12CCCC2 71920900 XFDWJKVMGYVFDW-RYUDHWBXSA-N 302.382 1.693 0 40 DDAB Cc1ccc(CN(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 69779402 ZZQIWFDYQNCYLH-SNVBAGLBSA-N 302.421 1.385 0 40 DDAB Cn1c(=O)n(C)c2cc(C(=O)NC3CC3)c(Br)cc21 71915447 ZHKMKKXIWGYNNA-UHFFFAOYSA-N 324.178 1.532 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)O)C1 92181561 LFVKWHKYLVHKMY-MNOVXSKESA-N 311.359 1.311 0 40 DDAB N#Cc1ccc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 96688050 LZRCQALQNJCRNU-HNNXBMFYSA-N 320.352 1.623 0 40 DDAB CCc1noc(CN(C)S(=O)(=O)c2cncc(Cl)c2)n1 95437259 XOKUKIJTVWVGCS-UHFFFAOYSA-N 316.770 1.501 0 40 DDAB NC(=O)C1(NCC(=O)NC2CCCCCCC2)CCCCC1 88544819 NTIDRKYKVXUIHI-UHFFFAOYSA-N 309.454 1.993 0 40 DDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H]1CCC[C@@H]1O 95979191 ASTPZEJINGUMKM-RYUDHWBXSA-N 319.327 1.634 0 40 DDAB C[C@@H](N[C@H](CO)c1cnn(C)c1)C(=O)Nc1cccc(Cl)c1 95941440 VDWHSOCHRBLTEP-QMTHXVAHSA-N 322.796 1.724 0 40 DDAB CN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)CC1=O 89374869 UADGHLMNQQHHLN-YUELXQCFSA-N 302.374 1.581 0 40 DDAB Cc1ccc(C(=O)N2CCCN(c3nccs3)CC2)c(=O)[nH]1 75124161 TZIZKZHKIFCIRI-UHFFFAOYSA-N 318.402 1.492 0 40 DDAB Cc1cn2c(CN(C)C(=O)c3ccc[nH]c3=O)c(C)nc2s1 89742747 JBGNTRFLOGMFTE-UHFFFAOYSA-N 316.386 1.973 0 40 DDAB Cc1cccc2c(CCNC(=O)NCC[S@@](C)=O)c[nH]c12 76088473 QXNYJMFIRMOEJT-NRFANRHFSA-N 307.419 1.697 0 40 DDAB CCn1cnnc1CNC(=O)N[C@@H](CCN(C)C)C(C)(C)C 76016708 ADTCDQGZXHGIOR-LBPRGKRZSA-N 310.446 1.464 0 40 DDAB CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 76070332 OPMWLMAGOQUYMY-GFCCVEGCSA-N 322.384 1.873 0 40 DDAB COc1ccc(CCN2C[C@H]3CCNCC[C@H]3S2(=O)=O)cc1 306139585 TVJGCOSGEHLQOB-GDBMZVCRSA-N 324.446 1.251 0 40 DDAB COCC(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 38750926 AJLUBMKDUJQIQP-UHFFFAOYSA-N 304.302 1.375 0 40 DDAB CC(C)C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306123255 AIOCLKCYGPHGIB-OAHLLOKOSA-N 304.390 1.872 0 40 DDAB CC(C)CNC(=O)CNC(=O)N[C@@H](c1ccccn1)C(C)C 76953933 OQTHIRCJBNBSNA-OAHLLOKOSA-N 306.410 1.850 0 40 DDAB Cc1cccc(N2CCO[C@@H](C(=O)NC3CCOCC3)C2)c1 72366519 DOWAUWXXHKOHEF-MRXNPFEDSA-N 304.390 1.495 0 40 DDAB C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)[C@@H]1C 189993844 ZHRWIQCCTRAWJJ-VXGBXAGGSA-N 302.374 1.750 0 40 DDAB CC(=O)N1CCN(C(C)=O)[C@H](c2cccc(C(=O)N(C)C)c2)C1 72368121 MVMYDOGIKQYPRX-INIZCTEOSA-N 317.389 1.140 0 40 DDAB CS(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@]2(O)c2cccc(F)c2)C1 36740020 FAESYMQFHBMSGH-GLQYFDAESA-N 313.394 1.705 0 40 DDAB COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccn(C)c(=O)c1 189476892 JXDLZDWGLKMCHS-INIZCTEOSA-N 314.385 1.715 0 40 DDAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(C(N)=O)CC1 216284883 LQSFGRGQNTXEHE-HNNXBMFYSA-N 320.389 1.577 0 40 DDAB COCCNC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 38489798 LILIWWXIHXFPAQ-UHFFFAOYSA-N 321.377 1.980 0 40 DDAB Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1 189835002 AYIRLGRISIAKND-UHFFFAOYSA-N 314.393 1.745 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218521034 ZUJZVZIEQXDYDF-RDBSUJKOSA-N 301.383 1.318 0 40 DDAB O=C(c1cnc2[nH]c(O)nc2c1)N1CCOC[C@H]1CC1CCC1 568134749 GIHTYVNRYIHKPD-GFCCVEGCSA-N 316.361 1.695 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H]1CN(C(=O)OC(C)(C)C)C1CC1 79409871 RAFYAKLMFRGTCO-AAEUAGOBSA-N 311.426 1.724 0 40 DDAB CC(C)c1nc(CN2CCNC(=O)[C@H]2c2cccs2)no1 72799008 FEPSLVFPLZIKDT-GFCCVEGCSA-N 306.391 1.928 0 40 DDAB CCn1cc(NC(=O)c2cc(C)nc(N3CCCC3)n2)cn1 72239868 IMLPMUHHXIKRKZ-UHFFFAOYSA-N 300.366 1.854 0 40 DDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCC(Cn2cnnn2)CC1 40266435 PBIWYSJSBSOPCW-MXPGSBBYSA-N 315.421 1.808 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN(CCn2ccnc2)CC1 75157995 DNCJSBQFANUJGE-UHFFFAOYSA-N 323.400 1.822 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(F)c(C)c1 69737646 FYVACXRDSXFANK-UHFFFAOYSA-N 316.398 1.536 0 40 DDAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NC[C@H]1CCCO1 225748891 OEHAIPXKYLEWKG-GFCCVEGCSA-N 304.321 1.436 0 40 DDAB CC[C@@H](NC(=O)N1CC(=O)N(C2CC2)C1)c1c(C)noc1C 571271841 GVZRCFOGECUESW-GFCCVEGCSA-N 306.366 1.716 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)N(C)C 225962421 JSZURXVODWTFMY-UHFFFAOYSA-N 319.814 1.325 0 40 DDAB C[C@@H](NC(=O)CCc1ccc(Br)cc1)C(=O)O 195542682 CKSSBODGWKTZNG-MRVPVSSYSA-N 300.152 1.971 0 40 DDAB COC(=O)[C@H](O)C1CCN(CCN(C)c2ccccc2)CC1 96483401 HAEXBUSOFIZZPI-MRXNPFEDSA-N 306.406 1.369 0 40 DDAB CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)c1 92511195 ZSBQZRMTSNRNHV-ZDUSSCGKSA-N 316.361 1.865 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2[C@H]2CCOC2)N1Cc1ccncc1 96186403 CASHZOMKZVQZLY-JYJNAYRXSA-N 301.390 1.436 0 40 DDAB CC(C)Oc1ncnc2c1CCN(C(=O)N1CCOCC1)CC2 96255659 FHEGDIIVAOQQMB-UHFFFAOYSA-N 320.393 1.117 0 40 DDAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96419641 OALGXHDSXGXWEY-XYPHTWIQSA-N 313.401 1.940 0 40 DDAB CN(CCO)C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 230196093 NLJHFKPKADHLMQ-BRWVUGGUSA-N 317.433 1.531 0 40 DDAB CCN(CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CC1 96402824 JFZFBYCUFLYENM-AWEZNQCLSA-N 307.438 1.236 0 40 DDAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1cccnc1)C2 96109167 LJPRWBJIAZYTDH-AEFFLSMTSA-N 317.433 1.789 0 40 DDAB C[C@H]1C[C@@H]1NC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 96469901 MISBPLBNETWOBD-QMCVQRASSA-N 315.417 1.690 0 40 DDAB O=C([C@H]1CC12CCN(c1nncs1)CC2)N1CCOCC1 96227810 KWBMMSKDHBLGJT-LLVKDONJSA-N 308.407 1.003 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107991 LBNXRYVTPSGZKS-UONOGXRCSA-N 314.376 1.601 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](CNc2ccccn2)C1 97200479 JNBQLXZHEADMFS-LSDHHAIUSA-N 318.421 1.063 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CCN(Cc3ccc(C)o3)C2)C1 96203102 QAMAJHBNZMVFKB-HNNXBMFYSA-N 312.435 1.836 0 40 DDAB Fc1ccc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)cc1 96054344 PALNWLICXHTRDF-KSZLIROESA-N 320.408 1.890 0 40 DDAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 248117612 IZJZDYRXIYLGRV-HNNXBMFYSA-N 314.389 1.673 0 40 DDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 242548226 LDZDZSWXYYZRHV-IKGGRYGDSA-N 316.426 1.591 0 40 DDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCC2)Cc2ccnn21 247465673 COBIYABTGRHDTH-MRXNPFEDSA-N 311.389 1.504 0 40 DDAB CC(C)(C(=O)N1C[C@H](O)[C@]2(CCCO2)C1)c1ccc(F)cc1 257222887 DUZQXUGCMVFIAA-YOEHRIQHSA-N 307.365 1.856 0 40 DDAB COc1ccccc1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257236974 HEQRBCAFRHNJAN-RDJZCZTQSA-N 305.374 1.380 0 40 DDAB CO[C@H]1CN(C(=O)CCCn2ccnc2)CC[C@@]12CCCO2 257257032 KNVOABWSEWYQFH-HOCLYGCPSA-N 307.394 1.460 0 40 DDAB CNc1cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)ccn1 257282927 OVXJSZFXNXZGNX-HNNXBMFYSA-N 302.422 1.925 0 40 DDAB CN[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)OC[C@]1(C)O 257270154 MSZVRAJRXZJMLK-ZFWWWQNUSA-N 324.446 1.482 0 40 DDAB Cc1nccc(CN2C[C@H]3CC[C@@H](Nc4cccnn4)[C@H]3C2)n1 257282189 OSTWIEWRCFWOKT-VNQPRFMTSA-N 310.405 1.898 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H]2c2ccnc(O)n2)cn1 257332392 XXCYCRDCIWKFSR-LBPRGKRZSA-N 300.318 1.563 0 40 DDAB Cn1ccnc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257337799 YULOACQTSKPSCY-NSHDSACASA-N 301.350 1.034 0 40 DDAB O=C(Cc1cccs1)N1CCOC[C@@H](Cc2ccncn2)C1 257234827 GVGQLDVEGDAFIL-ZDUSSCGKSA-N 317.414 1.798 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 257261722 LINSQDPJMQEDHC-UHFFFAOYSA-N 321.406 1.081 0 40 DDAB COc1ccc(CC(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)cc1 257320617 VXORQAMBMKOYFJ-OAHLLOKOSA-N 315.373 1.869 0 40 DDAB CN(C)c1ncc(CN2CCC[C@H](Cc3ccn[nH]3)C2)cn1 257317147 VIOKCWPZLJZHKP-CYBMUJFWSA-N 300.410 1.720 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(-n2cccc2)cc1 17183024 LEPDIWFGNYGAAT-UHFFFAOYSA-N 313.313 1.186 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc2ncccc2c1 575425798 WXEGLYPIUOPRMF-NSHDSACASA-N 319.386 1.791 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cccnc1)[C@H](C)C2 585096925 CRAIUZCIFIJFFH-CYBMUJFWSA-N 301.394 1.656 0 40 DDAB CO[C@H]1CN(Cc2coc(C)n2)C[C@@H]1CC(=O)N1CCCC1 585275382 DIJYFFOTHWAMJY-ZFWWWQNUSA-N 307.394 1.442 0 40 DDAB Cc1ccc(C[C@]2(CO)CN(Cc3cnccn3)CCO2)cc1 585275875 KIUPCCMOJSHEFO-GOSISDBHSA-N 313.401 1.591 0 40 DDAB O=C(Cn1ccnc1)NCC1(N2CCOCC2)CCCCC1 29594344 OZSUCMHCJCSABT-UHFFFAOYSA-N 306.410 1.034 0 40 DDAB C[C@H](C(=O)Nc1c[nH]nc1[C@H]1CCNC1)[C@@H](N)c1ccccc1 1549747043 RDKQFCAYSQTCPZ-CORIIIEPSA-N 313.405 1.761 0 40 DDAB CC[C@@H](CCNC(=O)COc1ccccc1)N1CCCC1=O 60367839 RNUPRVQERGAXIC-AWEZNQCLSA-N 304.390 1.973 0 40 DDAB CON(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58282263 YUPJFPMPCMKDBC-NSHDSACASA-N 306.318 1.040 0 40 DDAB NC(=O)NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 58208768 VQHLLFWDOZPGBX-UHFFFAOYSA-N 302.161 1.767 0 40 DDAB O=C1CN(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CCN1 74893589 JNJIZUUDYNIIRP-AWEZNQCLSA-N 309.316 1.557 0 40 DDAB Brc1cnc(NC2CN(c3cnccn3)C2)nc1 1888843218 GIBXHJPZMKRNEI-UHFFFAOYSA-N 307.155 1.330 0 40 DDAB Nc1ncnc2c1ncn2S(=O)(=O)c1ccc(Cl)cc1 5394864 VKNXGNIDSOGVGC-UHFFFAOYSA-N 309.738 1.299 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCc2ccccc2C1 12548791 WRQKFPCOLGAHDI-HOTGVXAUSA-N 324.380 1.523 0 40 DDAB COc1cccc(OC)c1C(=O)Nc1ccc(CC(N)=O)cc1 13715578 YOHOEKLNGMAYAX-UHFFFAOYSA-N 314.341 1.984 0 40 DDAB CCc1ncc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cn1 19523446 WQWCLDCYPUEVNF-INIZCTEOSA-N 324.432 1.812 0 40 DDAB CCOC(=O)c1n[nH]cc1-c1cncn1CC(=O)NC(C)(C)C 19719710 VWPQFVDZVZLTFY-UHFFFAOYSA-N 319.365 1.365 0 40 DDAB O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)N1CCOCC1 1741110 CPXGZRKDDRBHIG-VOTSOKGWSA-N 324.380 1.820 0 40 DDAB Cn1c(N2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)nc2ccccc21 1888881832 FGSCPLHNRZRHEI-ZIAGYGMSSA-N 320.400 1.936 0 40 DDAB CN(c1ncc(Br)cn1)C1CN(c2cnccn2)C1 1888903920 ZTGKATMTMCVZPA-UHFFFAOYSA-N 321.182 1.354 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3ccccn3)C2)nc1 1889122797 MFFXQTADGHDHSP-CQSZACIVSA-N 311.389 1.921 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc2nsnc2c1 238824149 DIKNXMFXGDOMCX-CYBMUJFWSA-N 316.390 1.737 0 40 DDAB COC(=O)[C@@]1(CC2CC2)C[C@@H](N2CCCC2)CCN1C(C)=O 2056214993 NFVLRNCCUPXZMT-DOTOQJQBSA-N 308.422 1.805 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@@H]2C[C@]21C(=O)NC1CCC1 2056225370 OSYAYOICRPGKOD-CXAGYDPISA-N 306.406 1.463 0 40 DDAB O=C([C@@H]1CNCC12CCOCC2)N1CCCC(F)(F)CC1 2056226237 NOMYMVJDRYWYOS-LBPRGKRZSA-N 302.365 1.650 0 40 DDAB O=C(CCc1cncnc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 1565550760 DVOGPZVUDXENCS-IRXDYDNUSA-N 311.385 1.614 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@H]2C(=O)N(CC3CC3)CC[C@H]2C1 1565548028 WMDPKJGFMRQVFQ-WCQYABFASA-N 312.360 1.749 0 40 DDAB CN(C)C1CC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 1565545755 NWACQPKRQUCARW-UHFFFAOYSA-N 303.406 1.332 0 40 DDAB CCn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945184 BBKXUONUWXPNQQ-UHFFFAOYSA-N 315.377 1.593 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](NCc1ccccn1)CC2 2055734480 AJKDYIXCYJZOGO-LBPRGKRZSA-N 314.389 1.855 0 40 DDAB COCCN1CCC(CNC(=O)C(=O)Nc2ccccc2)CC1 23127357 YVTFIRWQWSMBIC-UHFFFAOYSA-N 319.405 1.100 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1ccc2nc(O)[nH]c2c1 585149809 OFXPZRXRQVEZCX-CABZTGNLSA-N 316.361 1.615 0 40 DDAB Cc1ncn(CC2CCN(C(=O)[C@H]3CCCO3)CC2)c(=O)c1C 585631547 NDRVKNOZFGMSQZ-OAHLLOKOSA-N 319.405 1.278 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3nccs3)C2)n(C)n1 2332241607 NIJZWGDMNHRDMQ-HBNTYKKESA-N 321.406 1.007 0 40 DDAB CC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 31395715 MJLWLUCMASJIAZ-GHMZBOCLSA-N 317.389 1.737 0 40 DDAB Cc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1C 20343433 NWCDFJCAVVYUQU-UHFFFAOYSA-N 302.421 1.082 0 40 DDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 40513448 COSJMMVTBXEHKJ-NSHDSACASA-N 324.381 1.523 0 40 DDAB Cn1ncc2c(NCc3ccc(N4CCCC4)nc3)ncnc21 32779269 HDHSHPJGSBWCGL-UHFFFAOYSA-N 309.377 1.971 0 40 DDAB CC(C)c1nnc(NC(=O)CSc2nnc3ccccn23)o1 32831952 LSGYDQDEYZZLLE-UHFFFAOYSA-N 318.362 1.967 0 40 DDAB CC[C@H](C)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 32915281 YOTRNBBPWFJDEP-LBPRGKRZSA-N 310.419 1.541 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3ccc(C)n3C)CC2)on1 53355046 RYSFDUMVOOIEAC-UHFFFAOYSA-N 302.378 1.588 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@H](C(C)C)N1CCOCC1 41870681 ITBDEIVOSGQHBE-OAHLLOKOSA-N 309.410 1.307 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CCCO1 53508819 RFYADUKXNPIXQE-LLVKDONJSA-N 316.361 1.244 0 40 DDAB O=C(c1ccsc1)N1CCN(Cc2noc(C3CC3)n2)CC1 53611536 NHJAATGZXBLBEX-UHFFFAOYSA-N 318.402 1.967 0 40 DDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCc1ccco1 47327614 YTURERVGXMEXPQ-UHFFFAOYSA-N 324.340 1.592 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCn2c(nnc2C(F)(F)F)C1 97002613 SWSURPYOTMRXFM-QMMMGPOBSA-N 319.287 1.001 0 40 DDAB COc1cccc([C@@H](O)CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1 78892406 FCHLNLJUWOAPJO-LSDHHAIUSA-N 318.377 1.229 0 40 DDAB CCc1cnc(CNC(=O)NCCNC(=O)C2CCCC2)s1 78941329 XLWWNQXVQBQKTM-UHFFFAOYSA-N 324.450 1.811 0 40 DDAB Cc1ccc(S(=O)(=O)NCC[C@@H]2CCNC2)c(Cl)c1 104348836 JYKNUZHQXUZZLW-NSHDSACASA-N 302.827 1.926 0 40 DDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)Nc1nn[nH]n1 79480898 MJCONDKFOXAMNE-UHFFFAOYSA-N 322.332 1.194 0 40 DDAB COCCNC(=S)N1CCC(NC(=O)C(C)(C)C)CC1 4888589 GVEXCSXVWNZHEC-UHFFFAOYSA-N 301.456 1.134 0 40 DDAB C[C@@H]1CCCN(C(=O)Cn2c(=O)n(C)c(=O)c3sccc32)C1 6679619 QSZSGCHSDDZXSR-SNVBAGLBSA-N 321.402 1.020 0 40 DDAB O=[N+]([O-])C(=C1NCCN1)C(=C(Cl)Cl)N1CCCCC1 100636322 RHHIYNFBLPUNRY-UHFFFAOYSA-N 307.181 1.758 0 40 DDAB CC1(C)[C@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)C[C@@H]21 102713404 LATBFGLDNAYIAH-KBPBESRZSA-N 307.438 1.980 0 40 DDAB C[C@@H]1CCC[C@H](OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1 107057618 PCRDHRXASOIXMU-NCOADZHNSA-N 324.465 1.761 0 40 DDAB O=C(CSc1nnnn1Cc1ccccc1)N1CCCC1 12601462 MOOYRZTZZBBTNL-UHFFFAOYSA-N 303.391 1.436 0 40 DDAB COc1ccc(C(N)=O)c(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 8942904 SIMQRBCXJWYLSG-RYUDHWBXSA-N 320.389 1.677 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 27393125 GGSUETHEOOWJLC-CVEARBPZSA-N 316.401 1.639 0 40 DDAB CN(Cc1ccc(Br)o1)C(=O)[C@H]1CCC(=O)NC1 48197007 ISTVDFNLHCEERT-QMMMGPOBSA-N 315.167 1.527 0 40 DDAB Cn1cc(-c2nc(C(=O)NCCc3ccccn3)cs2)cn1 44865633 ZETMTUYVRWCBMS-UHFFFAOYSA-N 313.386 1.911 0 40 DDAB O=C(Cn1cccn1)NC[C@@H](c1cccs1)N1CCCC1 48234285 IEYYXFYVWPKKNX-ZDUSSCGKSA-N 304.419 1.898 0 40 DDAB CCNC(=O)C1(NC(=O)c2ccc(OC)nc2)CCCCC1 58245887 YZGIXDHJXYVPFO-UHFFFAOYSA-N 305.378 1.659 0 40 DDAB CN(C)S(=O)(=O)c1ccc(Cn2c(=O)oc3ccccc32)o1 44978995 GBFAZTVADMOJGL-UHFFFAOYSA-N 322.342 1.486 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cc(-c2cccnc2)on1 44936381 SYCGFEPMSKQJOO-UHFFFAOYSA-N 320.312 1.709 0 40 DDAB CCc1noc(C)c1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269129 MKMQUMQNQKRJIA-KBPBESRZSA-N 307.394 1.217 0 40 DDAB COc1c(CNC[C@@H](O)COc2ccc(F)cc2)c(C)nn1C 58314906 VINVTSQFLXEUFE-CYBMUJFWSA-N 323.368 1.406 0 40 DDAB Cn1nnnc1-c1cccc(NCC(=O)N2CCCCC2)c1 58323291 OXDVFCUOVKIIFA-UHFFFAOYSA-N 300.366 1.302 0 40 DDAB COc1cc(OC)c(CNC(=O)N2CCO[C@H](C)C2)c(OC)c1 72272818 CZILGTLCXULJQH-LLVKDONJSA-N 324.377 1.643 0 40 DDAB CCCn1nc(C(=O)N(CCOC)Cc2ccco2)ccc1=O 45416906 QCRRNLGOPSLYOF-UHFFFAOYSA-N 319.361 1.535 0 40 DDAB C[C@H](NC[C@H](O)c1ccc2c(c1)OCO2)[C@H](C)n1cccn1 72269715 IWOSYNMSKRSJSF-OBJOEFQTSA-N 303.362 1.885 0 40 DDAB COC1CCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1 48360890 LCBUVMMGLHWZLG-UHFFFAOYSA-N 316.405 1.916 0 40 DDAB COc1ccc2c(c1)NC(=O)[C@]21NC(=O)c2cccc(C)c2N1 59589542 ZKKWVRGDZAYYRM-QGZVFWFLSA-N 309.325 1.964 0 40 DDAB O=C(NC1CCN(Cn2nc(C3CC3)[nH]c2=S)CC1)C1CC1 29586885 AMQCLKDBHKTGPZ-UHFFFAOYSA-N 321.450 1.766 0 40 DDAB Cc1ccc(-n2c(=O)[nH]c(C)c(CC(=O)O)c2=O)cc1Cl 20156493 YUAKTVMBDKVINF-UHFFFAOYSA-N 308.721 1.423 0 40 DDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2cc(C)no2)CC1 37195052 PIWHNLJQFYCRRZ-LLVKDONJSA-N 310.354 1.084 0 40 DDAB COc1cc(C(=O)O[C@@H](c2cnn(C)c2)C(F)(F)F)on1 97108914 CMJAYANYELAYPO-VIFPVBQESA-N 305.212 1.877 0 40 DDAB CCc1ccccc1N1C[C@H](/C(O)=N/S(C)(=O)=O)CC1=O 48479752 RBSSORFQZNWQMZ-LLVKDONJSA-N 310.375 1.518 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(-n2cnnc2)c1 71288498 BWYKPZFFJZEABP-NWDGAFQWSA-N 300.318 1.563 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1cc(Cl)ccc1C 48667399 QBNXGYUBXGBENV-UHFFFAOYSA-N 314.798 1.738 0 40 DDAB C[C@H](C[S@](C)=O)N(C)Cc1nc2ccccc2c(=O)n1C 97161724 MQCAIDBDYYNLGG-WSVYEEACSA-N 307.419 1.132 0 40 DDAB COc1ccc2c(C)c(CC(=O)NCCC(=O)O)c(=O)oc2c1 4062158 SAEJYJXOGKPKBH-UHFFFAOYSA-N 319.313 1.243 0 40 DDAB biogenic CC(C)NS(=O)(=O)[C@H]1CCN(c2noc(C(C)(C)C)n2)C1 97115388 JXTJWFDLCUIJAV-JTQLQIEISA-N 316.427 1.274 0 40 DDAB Cn1ncc2c1CCC[C@H]2NS(=O)(=O)Cc1ccccc1 26851654 SSKBPHGUQHLVSB-CQSZACIVSA-N 305.403 1.917 0 40 DDAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COC)CC1 65475234 DTAIJFXOKVOQLG-ZDUSSCGKSA-N 323.412 1.791 0 40 DDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2cc(F)ccc2F)n1 6315518 ZXHRNHGJERMZFY-UHFFFAOYSA-N 312.301 1.361 0 40 DDAB O=C(CSc1cn[nH]n1)Nc1ccc(N2CCOCC2)cc1 97227361 NFOSRJLXMRHFEH-UHFFFAOYSA-N 319.390 1.372 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)N(CC(N)=O)C1CCCC1 65501376 PEMKCFPGSVBWGV-CYBMUJFWSA-N 304.390 1.848 0 40 DDAB CC(C)c1nc(CN2CCc3ncnc(N(C)C)c3C2)no1 97201960 KVQRKUFOECQEDL-UHFFFAOYSA-N 302.382 1.607 0 40 DDAB CCOc1ccc(OCCNC(=O)c2ccc(O)nc2)cc1 14251245 DUGCIMPEHYKXLG-UHFFFAOYSA-N 302.330 1.995 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc2c(c1)CCC2 14226353 FVRMRKKEEOXSIT-QMMMGPOBSA-N 303.391 1.995 0 40 DDAB COCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC 4699123 IMAYXKUHDFFUFB-UHFFFAOYSA-N 300.742 1.440 0 40 DDAB COc1ccc(CN(C)C(=O)CSc2nnc(C)n2C)cc1 9498490 SUBAVAHMUZCUBC-UHFFFAOYSA-N 320.418 1.883 0 40 DDAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 7070868 VZNQCSIJNNKJBW-MRXNPFEDSA-N 307.357 1.773 0 40 DDAB CCN1CCCN(S(=O)(=O)c2cnc3onc(C)c3c2)CC1 96404108 SWBWNMUZQKRQJL-UHFFFAOYSA-N 324.406 1.248 0 40 DDAB CCn1cc(Br)cc1C(=O)N1CCCS1(=O)=O 96403328 XAEMXSRYALJLBO-UHFFFAOYSA-N 321.196 1.446 0 40 DDAB Cc1nc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)no1 67939786 VGYJNTHTGPGXEI-UHFFFAOYSA-N 301.350 1.998 0 40 DDAB C=CC(=O)NCCNC(=O)Cc1ccccc1Br 71896399 UKLREDQVINIIEY-UHFFFAOYSA-N 311.179 1.410 0 40 DDAB NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860111 QORKVDAODDPPLN-UHFFFAOYSA-N 318.358 1.018 0 40 DDAB O=S(=O)(Cc1ccccc1)NCCNCc1cccc(O)c1 71850027 YDEOWMPGIDHHGH-UHFFFAOYSA-N 320.414 1.601 0 40 DDAB CC(C)[C@@H](C(=O)NCCc1nncn1C1CC1)N1CCCC1 71896403 QEHCVTAZVMHNTA-HNNXBMFYSA-N 305.426 1.392 0 40 DDAB CCCn1nnnc1Cn1ncc(C(=O)OCC)c1C(F)F 71899890 GKHGNBSSOVYHHB-UHFFFAOYSA-N 314.296 1.442 0 40 DDAB CSc1ccc(CN(C)C(=O)CSc2nnnn2C)cc1 8100691 OPDMWLYXEWNALP-UHFFFAOYSA-N 323.447 1.683 0 40 DDAB COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC 69462546 SKMIMFSHUJBGPO-CVEARBPZSA-N 320.433 1.883 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)CCC3)C2 69461850 FAOXLISSNSCVEW-UHFFFAOYSA-N 310.401 1.914 0 40 DDAB Cc1ccc(CNC(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1F 69562557 FYLBZYQOFWQSFA-GXTWGEPZSA-N 321.396 1.336 0 40 DDAB Cn1cnc2c1CCN(CCCOc1ccc3c(c1)OCO3)C2 69561509 QUXYMKUOYBBQGQ-UHFFFAOYSA-N 315.373 1.976 0 40 DDAB CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1 95399172 VCDVZIIRTTUPME-AWEZNQCLSA-N 314.341 1.906 0 40 DDAB C[C@H]1COCCN1S(=O)(=O)Cc1cc(-c2ccccc2)no1 69699260 ISXCLRZWNGYQHB-LBPRGKRZSA-N 322.386 1.892 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2cc(C)on2)n1 69628441 WMWLFXNNXWZQCG-ZDUSSCGKSA-N 318.381 1.294 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2ccccc2C)CC1 69739932 ZNTOBGYOFCNZAU-QGZVFWFLSA-N 320.433 1.079 0 40 DDAB CCOc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2CCOC)cc1 69737467 OWEDEBNTWXEUMC-HIFRSBDPSA-N 307.346 1.706 0 40 DDAB Cc1ccc2oc(C(=O)N3CCN(CC(C)(C)O)CC3)cc2n1 69895148 BACGZEOUQKPIAB-UHFFFAOYSA-N 317.389 1.665 0 40 DDAB CCN(C(=O)CN[C@@H]1CCCN(c2cccnn2)C1)C1CC1 69875839 BMPHJXHELLBSGN-CYBMUJFWSA-N 303.410 1.046 0 40 DDAB CCOc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 18153536 ZNSDPZMSPGNWSS-UHFFFAOYSA-N 320.374 1.482 0 40 DDAB Cc1ccc(CCCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 84148808 NDMVQNFMYHEOFV-QGZVFWFLSA-N 320.433 1.127 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)NCc1cccc(N(C)C)n1 95437675 REKHOQDIIOLCEL-UHFFFAOYSA-N 302.382 1.487 0 40 DDAB CS(=O)(=O)c1ccccc1N1CCN([C@@H]2CCOC2)CC1 95437228 MJVAHNIKCJZZCO-CYBMUJFWSA-N 310.419 1.001 0 40 DDAB Cc1cnccc1CCNC(=O)Nc1cnc(N(C)C)nc1 95437976 VNKMZFGJJBKYNR-UHFFFAOYSA-N 300.366 1.610 0 40 DDAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NCC1(CO)CC1 88618599 FIMXVTZPEPQIKM-KSSFIOAISA-N 300.402 1.962 0 40 DDAB CN(CCO)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 95959570 CLCHWVSLHUTUCA-UHFFFAOYSA-N 311.345 1.877 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CNc1c(F)cc(F)cc1F 86211916 LMYAGOJNMBPVGI-UHFFFAOYSA-N 312.295 1.908 0 40 DDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(CO)o1 89948949 ZPQHQDKSVZIFJN-WBMJQRKESA-N 306.406 1.899 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)no1 76043718 DQZJCROTSCDLFT-AGIUHOORSA-N 301.350 1.579 0 40 DDAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cnccn1)C2 306124974 CDMHCVOOHIUPIQ-CYBMUJFWSA-N 304.394 1.050 0 40 DDAB Cc1nonc1NS(=O)(=O)c1ccc(Br)cc1 28249045 NPYMXECXWIVTRS-UHFFFAOYSA-N 318.152 1.941 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)CCCn3cccn3)CC2)S1 73119584 YASMKSCDZBCNPS-CYBMUJFWSA-N 321.450 1.299 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)c1cnc2ccccc2n1 75157455 KBCNZBAKJALDJJ-OAHLLOKOSA-N 305.403 1.864 0 40 DDAB CSc1nc(O)nc(=O)n1Cc1cc(F)c(F)cc1F 2362804236 AORWTIMNCGRVFG-UHFFFAOYSA-N 303.265 1.531 0 40 DDAB O=C([C@@H]1CCc2nnnn2CC1)N(Cc1ccncc1)C1CC1 567902966 CMXXMGNPDJOUAA-CYBMUJFWSA-N 312.377 1.212 0 40 DDAB C[C@H]1Oc2ccc(S(=O)(=O)NCc3ccco3)cc2NC1=O 71542747 KXNGXNXYGMRVNI-SECBINFHSA-N 322.342 1.478 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1Cc1ccc(O)cc1 72388626 OBETZKZJSVMBJR-CYBMUJFWSA-N 321.402 1.856 0 40 DDAB CCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1 217540298 BQEGAUCATYEMRT-UHFFFAOYSA-N 312.391 1.673 0 40 DDAB C[C@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCCS2(=O)=O)c1 565549190 ONNRLBIFHFHFST-JOYOIKCWSA-N 311.359 1.390 0 40 DDAB CNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(N)c1 225440990 ZPMKTBRFDUPYPJ-UHFFFAOYSA-N 310.401 1.955 0 40 DDAB Cc1cnccc1CC(=O)N1CCN(c2cncc(F)c2)CC1 570244665 CXSXSRCHYJLIPV-UHFFFAOYSA-N 314.364 1.815 0 40 DDAB Cc1csc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 570654428 IQYJJCSDAWCOKW-GYSYKLTISA-N 308.403 1.613 0 40 DDAB CCN(CC)C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225946836 QTWDRUMWNUOQCX-CYBMUJFWSA-N 316.398 1.675 0 40 DDAB CO[C@@H](C)CS(=O)(=O)NCc1ccccc1-n1ccc(C)n1 195424244 ZOFLIZZRYUSEFL-ZDUSSCGKSA-N 323.418 1.635 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CC[C@H](Oc2cccnn2)C1 225408835 ASUZXOLMDLPEBF-ZDUSSCGKSA-N 323.356 1.506 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(Cc2cccnc2OC)CC1 193297520 CDCZSMWCOXTAKB-AWEZNQCLSA-N 320.437 1.123 0 40 DDAB Cc1cc(N[C@@H]2CCO[C@]3(CCSC3)C2)n2ncnc2n1 96481119 RMBMEXMETLVMSA-BXUZGUMPSA-N 305.407 1.899 0 40 DDAB O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1cncnc1 96239191 DSXDTFSEWBBAQM-KRWDZBQOSA-N 309.373 1.501 0 40 DDAB CN(C)CC(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1 96209262 PDPNJVNKNTZXCP-MRXNPFEDSA-N 323.481 1.430 0 40 DDAB Cc1cc(C[S@@](=O)CCS(=O)(=O)c2ccccc2)on1 95453962 AMUWWFMUPKMGEQ-LJQANCHMSA-N 313.400 1.706 0 40 DDAB Cn1cc(CN2CCO[C@H]3CN(Cc4ccco4)C[C@H]32)cn1 96248752 YAYMOLCBZSWBSQ-CVEARBPZSA-N 302.378 1.098 0 40 DDAB COC(=O)c1ncn(Cc2ncc(-c3cccc(F)c3)o2)n1 96447738 ABHVFCLEZUCIBX-UHFFFAOYSA-N 302.265 1.907 0 40 DDAB Cc1cccc(CN2C(=O)CCC23CCN(CCO)CC3)c1 96228323 KZNPHOTXXIWUPM-UHFFFAOYSA-N 302.418 1.944 0 40 DDAB CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1ccco1)CC2 96219758 NHHIDXYXNZWRNY-HNNXBMFYSA-N 321.421 1.922 0 40 DDAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](C)CC(=O)NC(C)C 96440671 RUGANVKROHWRQE-WDEREUQCSA-N 324.425 1.825 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C(C)C)nn1 96443941 ITGYFDKEYCHGFF-QWHCGFSZSA-N 304.394 1.573 0 40 DDAB COCCN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 96043076 UMTIBVKARGHIRL-AEGPPILISA-N 305.378 1.146 0 40 DDAB CCc1cnc(N2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)nc1 96223387 SVSGQMDSOMCDRX-GOEBONIOSA-N 314.393 1.631 0 40 DDAB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)n[nH]c1C 95474069 ODVXWZFRGZIBIO-NSHDSACASA-N 304.302 1.817 0 40 DDAB COc1ccc(COC(=O)c2cnn(C)c2-n2cccc2)cn1 96442958 XZPUDFZGPKUCJV-UHFFFAOYSA-N 312.329 1.971 0 40 DDAB COCC(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 96048766 BBNKNBLZRXGVDC-HNNXBMFYSA-N 308.403 1.740 0 40 DDAB O=C(NCCCO)C1CCN(C(=O)c2ccc(F)cc2)CC1 97176640 XBJOIGCEDCPMMU-UHFFFAOYSA-N 308.353 1.177 0 40 DDAB CN(C(=O)c1ccncc1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257241423 HXZUWZZXRNGMMP-BZUAXINKSA-N 303.406 1.531 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)CC[C@@H]1O 257216197 CTNLODQQESJFNN-HOTGVXAUSA-N 304.390 1.107 0 40 DDAB Cc1nccc(C(=O)N2CC[C@H](c3ncc(CN(C)C)[nH]3)C2)n1 257224935 FEAKPSJIUGLCBQ-LBPRGKRZSA-N 314.393 1.199 0 40 DDAB COc1ccc([C@H]2CN(CC(=O)N3CCCC3)CCN2C)cc1 257230665 GDIHYNXZTDMOAG-QGZVFWFLSA-N 317.433 1.606 0 40 DDAB O=C(c1cnccn1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257306994 SWUWQIPDPOOQLM-ZDUSSCGKSA-N 324.344 1.592 0 40 DDAB O=C(c1cc2c(s1)CCC2)N1CC[C@](O)(CN2CCCC2)C1 257220778 DMCGZAHCRJNEHG-KRWDZBQOSA-N 320.458 1.910 0 40 DDAB Cc1nc([C@@H]2CCCNC2)nc2c1CCC(=O)N2CC1CC1 257234982 GVWGAMTVHXLNPR-CYBMUJFWSA-N 300.406 1.941 0 40 DDAB COCC(=O)N1CCC[C@](C)(c2ccc3c(C)nn(C)c3n2)C1 257275880 NRJFAPCYBHTGNX-KRWDZBQOSA-N 316.405 1.803 0 40 DDAB CCc1c(C(=O)NCCCC(N)=O)cnn1-c1ccc(F)cc1 42924959 HKEGQVKPHWTIEY-UHFFFAOYSA-N 318.352 1.569 0 40 DDAB CC(=O)NC1(C(=O)N2CCC[C@H]2Cn2cccn2)CCCCC1 70014313 YCQDHEZZWMZYAJ-HNNXBMFYSA-N 318.421 1.713 0 40 DDAB CC(=O)NCCNC(=O)N1CCCN(Cc2ccccc2)CC1 43141140 HHBVHIPCWHFDNS-UHFFFAOYSA-N 318.421 1.040 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCC1 72234952 IZQNEIFMJZMFQN-HZPDHXFCSA-N 319.453 1.952 0 40 DDAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1ccccc1Br 37014603 XIMWALCPHCYWHE-HOTUBEGUSA-N 313.195 1.349 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@@H]2CCOC2)cc1OC 45742995 SFVDEOOQZLMURX-VIFPVBQESA-N 319.354 1.158 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](c3cc(CCO)n(C)n3)C2)n1 72369180 BOANNMDPUKNFDC-CQSZACIVSA-N 315.421 1.746 0 40 DDAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 79324685 UXOBQTWTOAJOFO-AMXDTQDGSA-N 324.446 1.552 0 40 DDAB COCc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)cc1 547613188 ZLOGZJDWLLJZRE-NWDGAFQWSA-N 311.359 1.141 0 40 DDAB O=C(NCCc1nc[nH]n1)c1ccc(F)c(Br)c1 96449792 QONUEVIZAYHMMY-UHFFFAOYSA-N 313.130 1.679 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)Cc1c(F)cccc1Cl 88375046 KJRMNZHHCYQOBM-NSHDSACASA-N 301.701 1.334 0 40 DDAB C[C@](CN)(NS(=O)(=O)c1cccc(Cl)c1F)C1CC1 95972370 VEMOAUGODYHPGN-GFCCVEGCSA-N 306.790 1.885 0 40 DDAB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCCC1 5220057 QDEHNXZEVXTENL-JTQLQIEISA-N 321.381 1.904 0 40 DDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2[nH]nnc2c1 12520659 JZNDJSJZFWLGDC-UHFFFAOYSA-N 323.356 1.943 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 14352276 XWMLTSCNAVPHBL-CHWSQXEVSA-N 315.377 1.546 0 40 DDAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CC1 16428809 BKOYXHZSMZHRRW-UHFFFAOYSA-N 324.402 1.129 0 40 DDAB O=C(Cn1cncn1)N[C@@H](Cc1ccsc1)c1cccnc1 19338107 PHMKXKZFOQXDAE-AWEZNQCLSA-N 313.386 1.835 0 40 DDAB COCC(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19593030 BHIUPVOCWYGZAE-UHFFFAOYSA-N 318.373 1.253 0 40 DDAB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 169314102 KPRWGJNSDYUMCT-DLTLXFJOSA-N 313.309 1.638 0 40 DDAB Cc1ccc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)cc1-n1cnnn1 169680702 CQLOFQNDBXWBMH-GZBFAFLISA-N 309.373 1.913 0 40 DDAB CC(C)C(=O)N[C@H]1CCCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 101553242 SZLXMHLTGLRBMU-OAGGEKHMSA-N 323.481 1.728 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@@H]3C2)n1 1888843357 FIQAJSAIYMUZJA-ZIAGYGMSSA-N 309.373 1.388 0 40 DDAB O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)COC2=O)CC1 244909698 ARXQNQUQPCIABK-UHFFFAOYSA-N 322.748 1.923 0 40 DDAB COC(=O)c1sccc1NC(=O)CN1CCSCC1 47987218 XBUUJOWSKHYBQK-UHFFFAOYSA-N 300.405 1.522 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)CC1CCCC1)c1cccs1 548198123 FMLBLYXZERBNGT-LLVKDONJSA-N 303.405 1.983 0 40 DDAB CC1(C)C[C@@H]1C(=O)N1CC[C@H]2C[C@@]21C(=O)NCc1cccnc1 2056224298 VNSVTUWRMMBNMI-IYOUNJFTSA-N 313.401 1.735 0 40 DDAB Cc1nc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)cs1 1565550248 VQYJKPVQGAMEAV-WBMJQRKESA-N 319.430 1.972 0 40 DDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055717949 LVCSCAGDPWHXGA-ZDUSSCGKSA-N 320.437 1.698 0 40 DDAB O=C(c1csnn1)N1C[C@H]2CCN(C[C@H]3CCCO3)C[C@H]2C1 2055751322 KKKRFBGKINVFCK-FRRDWIJNSA-N 322.434 1.111 0 40 DDAB O=C1c2ccccc2C(=O)N1CCn1nc(C2CC2)ccc1=O 1775969295 JJRADRYUGYOQQL-UHFFFAOYSA-N 309.325 1.417 0 40 DDAB Cc1ccc(C(=O)NCC(=O)NCCCn2cccn2)cc1C 30169437 COVZATAEOLQSTR-UHFFFAOYSA-N 314.389 1.436 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)cc(OC)c1 194804 XUIAYMGJLOTVNH-AWEZNQCLSA-N 320.345 1.895 0 40 DDAB COCc1cccc(CNC(=O)CCNC(=O)c2ccoc2)c1 40536203 CNQHKMAOZYHFIB-UHFFFAOYSA-N 316.357 1.862 0 40 DDAB CC[C@](C)(CNC(=O)Cn1nc(C)cc1C)N1CCOCC1 40515328 MYTOFAYXJJHRFD-MRXNPFEDSA-N 308.426 1.117 0 40 DDAB NC(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 32675795 SMWQPQOCKNLMCT-UHFFFAOYSA-N 300.402 1.832 0 40 DDAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCNC1=O 21605419 QRVONNIXMGNKHD-ZETCQYMHSA-N 307.335 1.097 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 41758127 ANKXCXMHZUMKHR-GFCCVEGCSA-N 311.407 1.103 0 40 DDAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@@H]1CCCO1 22620761 YEIKFAFMJBIDAI-NSHDSACASA-N 324.764 1.933 0 40 DDAB COCc1cccc(CNC(=O)[C@H]2CCCN(C(C)=O)C2)c1 47026194 KOKSRPCDBDGXDA-INIZCTEOSA-N 304.390 1.708 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 568933 IBPDPQGMAMRDJK-UHFFFAOYSA-N 324.797 1.863 0 40 DDAB COc1cccc2c1OC[C@@H](NC(=O)Nc1cnn(C)c1)C2 77492141 YTRPCDHVJNAQFK-NSHDSACASA-N 302.334 1.554 0 40 DDAB CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947309 JXUHSIYZQWHMQC-KRWDZBQOSA-N 317.389 1.497 0 40 DDAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O 2572698 DXYQIGZZWYBXSD-JSGCOSHPSA-N 301.346 1.113 0 40 DDAB endogenous,in-man CS(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccn1 23711305 LXKDNMDXQMAMAK-UHFFFAOYSA-N 319.386 1.426 0 40 DDAB CCCNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 4676350 HMLYLSBRYBNMRG-UHFFFAOYSA-N 321.396 1.781 0 40 DDAB CCCC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24032124 ZFJIKAFCJIKMSV-UHFFFAOYSA-N 314.389 1.367 0 40 DDAB COC(=O)c1cn([C@H](C)C(=O)N2CCOCC2)c2ccccc12 6957475 MTNGMPCZFXYHOI-GFCCVEGCSA-N 316.357 1.848 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 24710499 UXPCOCKMBPXPRH-UHFFFAOYSA-N 300.355 1.069 0 40 DDAB Cc1oc(C)c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1C 12553852 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O=c1[nH]c2ccccc2n1CCCSc1nnnn1C1CC1 12787883 FCNVFPZAIWZGJN-UHFFFAOYSA-N 316.390 1.833 0 40 DDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)s1 3384561 PQLJQNVROHZQAL-UHFFFAOYSA-N 322.342 1.832 0 40 DDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccco1 10753917 QIGHXJKKOBVHFZ-BQYQJAHWSA-N 309.318 1.296 0 40 DDAB C[C@H]1CCC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 45205015 SEMLZEXJQIISIF-NWDGAFQWSA-N 309.410 1.792 0 40 DDAB CCN1C[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1=O 84779915 KTDSAIWMSYJNRF-RYUDHWBXSA-N 318.377 1.479 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 100617351 XBWCQLPOYGYWMW-XUXIUFHCSA-N 319.313 1.297 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)NCc2ccco2)cc1F 29318507 VFDPFDFTCLVUDG-UHFFFAOYSA-N 319.336 1.956 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCO[C@@H]2CCCC[C@H]21 46490487 JPVWCKUNZJGQGY-ZIAGYGMSSA-N 313.357 1.478 0 40 DDAB COC(=O)[C@]1(C(F)(F)F)CC(C)=C(C)CN1S(C)(=O)=O 2601201 HZYHIRYFBSVGKQ-JTQLQIEISA-N 315.313 1.462 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3ccc(F)cc3O)CC2)no1 178996770 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CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC2)C1 36351190 IGPYCELCQSFOLG-UHFFFAOYSA-N 306.391 1.386 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@H]1COC2(CCCCC2)O1 38936607 ILAGBHHICVAIEQ-NSHDSACASA-N 309.366 1.234 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1F 238920935 TVZYYQOVOQYGCS-KCPJHIHWSA-N 309.337 1.901 0 40 DDAB COC[C@]1(C(=O)O)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218004036 SBVVFARKJYGIJX-ZYHUDNBSSA-N 304.751 1.603 0 40 DDAB CN(C)c1ncccc1N(C)C(=O)Cc1ccc2c(c1)NC(=O)C2 183034078 ZBFHRFYWOMXBNB-UHFFFAOYSA-N 324.384 1.848 0 40 DDAB CCN(CC)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241688 XJXLNJBDKBIZRM-GJZGRUSLSA-N 308.353 1.592 0 40 DDAB CC(C)N1CCC[C@@H](Cc2ccc(NCC[S@](C)=O)nn2)C1 225459538 JQGWXVDJAOIBFZ-FPTDNZKUSA-N 324.494 1.930 0 40 DDAB C[C@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)O 195551934 OQCOILCKCUVVEG-LLVKDONJSA-N 301.346 1.748 0 40 DDAB COC[C@@H](C)NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225725502 ABJMQJWEHARLRP-SNVBAGLBSA-N 308.765 1.806 0 40 DDAB COc1cc(C)cc(C)c1S(=O)(=O)N(C)c1ncccn1 225753856 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O=C1C=C[C@H]2C=C(S(=O)(=O)NC3CCCCC3)C=C[C@@H]2O1 19942723 UJRCFNUNXBCKQU-FZMZJTMJSA-N 309.387 1.790 0 40 DDAB O=C(O)C[C@@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 166979643 DADVCHVKIROQDU-QMMMGPOBSA-N 302.208 1.605 0 40 DDAB NC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 3325006 BFWGGAQZBFQKQS-UHFFFAOYSA-N 301.302 1.137 0 40 DDAB O=C([C@@H]1CCCN(c2ncncc2F)C1)N1CCSCC1 1888844668 WYIJDFXMHDRJFN-LLVKDONJSA-N 310.398 1.408 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cnn(C)c3)C2)nn1 1888853082 FOLOPKDKAYUAIR-LBPRGKRZSA-N 301.350 1.060 0 40 DDAB O=C(Cn1ccc2ccccc21)N1CC(Nc2ncccn2)C1 240178551 YZWCHOJVEFNJQJ-UHFFFAOYSA-N 307.357 1.754 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CCN(c3cnccn3)C[C@@H]2C1 1565554533 UOMUQBWTYLVHMK-WCQYABFASA-N 322.359 1.807 0 40 DDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)CCF)cn1 1565551374 DETMFEUJGHSIOX-GJZGRUSLSA-N 309.385 1.718 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2 211396 HPDFPQUQBVMZTJ-SNVBAGLBSA-N 313.382 1.940 0 40 DDAB CCOc1ccc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 4504445 CXBIPAFQGHHBBE-CYBMUJFWSA-N 311.403 1.735 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055715774 ISNWHPSRDJKQAW-GFCCVEGCSA-N 318.421 1.500 0 40 DDAB Cc1nnsc1C(=O)NCCn1cc(-c2ccoc2)cn1 575614741 DTTZXKRPRYJFPE-UHFFFAOYSA-N 303.347 1.733 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@H](c1ccco1)n1cccn1 575614198 PFRFYKKKSYBTJJ-GFCCVEGCSA-N 315.333 1.238 0 40 DDAB CCN(CC)C(=O)c1ccc(OCCNC(C)=O)c(OC)c1 12411579 HVVXFBIHFZYWHK-UHFFFAOYSA-N 308.378 1.692 0 40 DDAB biogenic,in-vitro O=C(NCc1ccncc1)C(=O)Nc1ccc(C(F)(F)F)nc1 40267715 RZQFKHNYDNTMJR-UHFFFAOYSA-N 324.262 1.750 0 40 DDAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2cccs2)c1 31483619 APJOLYSDBACDLO-UHFFFAOYSA-N 313.404 1.257 0 40 DDAB COCCNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40548758 OPQCJSOUJDRHPT-UHFFFAOYSA-N 307.325 1.067 0 40 DDAB CCn1cc(CN(C)C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C)n1 20606863 VVHOCQWQVCFXRI-KBPBESRZSA-N 305.378 1.837 0 40 DDAB NC(=O)C1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 32758152 RSUHJSDEOWQRBN-CYBMUJFWSA-N 321.446 1.609 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1 32836650 GDUYQJFIVWSFEA-HNNXBMFYSA-N 315.373 1.967 0 40 DDAB Cc1ccc2cc(C(=O)NCc3nnc(S)n3C)[nH]c2c1 103983322 GFIOJSPTNFOEAE-UHFFFAOYSA-N 301.375 1.824 0 40 DDAB O=C(O)C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@@H]3CC(=O)O 277955 IUKYJNCDSUILBM-AOOOYVTPSA-N 306.226 1.059 0 40 DDAB biogenic Cc1cc(NC(=O)N2CCNC(=O)[C@H]2c2cccs2)no1 78936308 JZQNDFVAWONKAN-LLVKDONJSA-N 306.347 1.750 0 40 DDAB Cn1cc(NC(=O)Nc2cccnc2N2CCOCC2)cn1 54482245 IFFSLIRHOYHHOI-UHFFFAOYSA-N 302.338 1.296 0 40 DDAB O=C1CCc2cc(C(=O)NCc3nnc4ccccn34)ccc2N1 23644962 SCRKDGIPCMUNST-UHFFFAOYSA-N 321.340 1.544 0 40 DDAB CNC(=O)CSc1nnc(-c2ccco2)n1CCCOC 4161432 FLQFWXQJVWGUFV-UHFFFAOYSA-N 310.379 1.413 0 40 DDAB Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2N)cc1 4984866 GYBHRGRJPVSNES-LBPRGKRZSA-N 301.350 1.067 0 40 DDAB CCc1nnc(NC(=O)CSc2ncccc2C(=O)O)s1 6791896 ZNMAAPAYLKMJIT-UHFFFAOYSA-N 324.387 1.925 0 40 DDAB CCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 7077745 ITFIMBTZJQZHPW-NSHDSACASA-N 314.407 1.278 0 40 DDAB COc1ccccc1CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7305632 NMAKUYZNRCWINC-WBMJQRKESA-N 320.414 1.765 0 40 DDAB Cn1ccs/c1=N\C(=O)CCNC(=O)Cc1ccccc1 21397389 AJSOKUWRNYKTOB-ICFOKQHNSA-N 303.387 1.263 0 40 DDAB COC(=O)[C@@H](CNCc1ccccn1)[C@@H](O)c1ccncc1 12537006 PIHBIQNNBYFXDJ-GJZGRUSLSA-N 301.346 1.089 0 40 DDAB O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 34915946 MJGULFHKLMPJCG-AWEZNQCLSA-N 319.405 1.230 0 40 DDAB Nc1nc(Cl)cc(NCc2ccnc(N3CCOCC3)c2)n1 26717636 RLUJAOQPAAPWSK-UHFFFAOYSA-N 320.784 1.556 0 40 DDAB Cc1cc(C(=O)N[C@H](C)Cc2ccco2)c2c(=O)[nH]n(C)c2n1 25301093 VRQIBIBOKALMLO-SECBINFHSA-N 314.345 1.524 0 40 DDAB CC(=O)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95397639 FLTQZWFDENZARL-INIZCTEOSA-N 301.390 1.346 0 40 DDAB COC(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 58148364 DHPXCEUQGJLRSM-UHFFFAOYSA-N 308.363 1.682 0 40 DDAB CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1 44866494 MRMXRAOURKCGJI-QMMMGPOBSA-N 312.753 1.456 0 40 DDAB CC(=O)N1CC[C@H](NCc2nc3ccccc3n2C)[C@H](C)C1 84714970 QCFJMSHAUBIYRE-OCCSQVGLSA-N 300.406 1.920 0 40 DDAB O=C(CCNc1ncccn1)NCc1ccccc1-n1cccn1 58267056 HOIVSIGAEMENKY-UHFFFAOYSA-N 322.372 1.781 0 40 DDAB CCN1CCC[C@H](CNC(=O)CN(C)C(=O)c2cccs2)C1 58275249 BSGXZGGCXMQITP-CYBMUJFWSA-N 323.462 1.668 0 40 DDAB O=C(CNc1ccc(F)c(C(F)(F)F)c1)N1CCNC1=O 58291881 OMRYGCOHLBIANY-UHFFFAOYSA-N 305.231 1.808 0 40 DDAB O=C(Nc1cn[nH]c1)N(CC1(O)CCCC1)CC1(O)CCCC1 72285529 QNQXRLUVQJMPQK-UHFFFAOYSA-N 322.409 1.854 0 40 DDAB O=C(CCN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1)N1CCOCC1 102694714 AUUWDYKSAKPJTL-ULQDDVLXSA-N 321.465 1.042 0 40 DDAB COc1ccc(CN(C2CC2)[C@@H]2CC(=O)N(C3CC3)C2=O)cc1 36395596 CFZIGVAGTPWTEO-MRXNPFEDSA-N 314.385 1.950 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1c1ccncc1 45386737 KLEZGUKEMPCWCT-ZDUSSCGKSA-N 312.377 1.666 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cn1 36694980 BZHUFKVBCKUWPU-HZMBPMFUSA-N 307.375 1.483 0 40 DDAB COCCN1CCC(NC(=O)COc2ccc(C)c(C)c2)CC1 48340582 HEGUJPWYJCGZIJ-UHFFFAOYSA-N 320.433 1.909 0 40 DDAB COc1cc(CNS(C)(=O)=O)ccc1OC[C@H]1CCCO1 48374101 WNHAUXRZZPJPOH-GFCCVEGCSA-N 315.391 1.302 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)CCO1 29790039 YLYIPBFHZGTFQN-JTQLQIEISA-N 309.391 1.060 0 40 DDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccn1 12170547 ADJZIASNARTHAF-UHFFFAOYSA-N 317.370 1.874 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)N1CCSCC1 46966005 RXBCHJCFLSQWEG-UHFFFAOYSA-N 303.391 1.526 0 40 DDAB O=C(O)c1ccc(CCNS(=O)(=O)C[C@H]2CCCO2)cc1 63155491 GVGHMQBDBIVJDW-CYBMUJFWSA-N 313.375 1.026 0 40 DDAB COCC[C@H](C)S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 96013538 KPDNJBSURCOOJN-JTQLQIEISA-N 310.379 1.638 0 40 DDAB CC(C)[C@@H](NC(=O)Cc1nnc(O)c2ccccc12)C(=O)O 13552296 MGOSDLIBQDESMR-CYBMUJFWSA-N 303.318 1.103 0 40 DDAB CCN1CCN(CCNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 65452210 IHIVZYUCBCLCKR-UHFFFAOYSA-N 307.442 1.075 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 65548226 BWTZCMNMPGEOFE-BRAIEQGRSA-N 301.371 1.643 0 40 DDAB CC(C)(CCNC(=O)N1CC[C@@H](C(N)=O)C1)c1ccccc1 65523150 UEKCWHOLVQNHPJ-CYBMUJFWSA-N 303.406 1.871 0 40 DDAB COC[C@@H](C)NC(=S)N1CCc2cc(OC)c(OC)cc2C1 5389468 SRLPCVWMAYFUAX-LLVKDONJSA-N 324.446 1.971 0 40 DDAB O=C(CCNc1ncccn1)N1CCC[C@@H](n2cccn2)C1 65609548 SFPUQYOMSLMOGR-CYBMUJFWSA-N 300.366 1.339 0 40 DDAB COCCc1noc(CN2CCN(c3nccs3)CC2)n1 65608515 RDGJKLVFTJMCKJ-UHFFFAOYSA-N 309.395 1.037 0 40 DDAB CC(C)C[C@H](C(=O)N1CCOCC1)N1Cc2ccccc2C1=O 5522451 WUWIADLZQWFISA-MRXNPFEDSA-N 316.401 1.916 0 40 DDAB COC(=O)c1ccccc1NC(=O)CSc1nnc(C)n1C 7235051 XDCGXBIDVYWIQU-UHFFFAOYSA-N 320.374 1.641 0 40 DDAB O=c1n(CCN2CCO[C@@H]3CCCC[C@@H]32)nc2ccccn12 96308212 SFAYIHGWDYCMKC-UONOGXRCSA-N 302.378 1.139 0 40 DDAB Cn1ccnc1SCC(=O)NC(=O)NCc1ccccc1 7735945 XHNNNCRUQVUYGF-UHFFFAOYSA-N 304.375 1.538 0 40 DDAB NC(=O)c1ccsc1NC(=O)CSc1cccc[n+]1[O-] 7837874 VAJTVTGKTMURKI-UHFFFAOYSA-N 309.372 1.211 0 40 DDAB C[C@H](O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 96493286 UCCMGXGUSXYMJS-QCZZGDTMSA-N 314.332 1.865 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 70040988 MJJLAXHWARNHFI-VIFPVBQESA-N 318.751 1.757 0 40 DDAB Cc1ccc(F)c(-n2nnnc2CN[C@H](C)Cn2cccn2)c1 69368531 ZDMJBQOJGHBODA-GFCCVEGCSA-N 315.356 1.485 0 40 DDAB Cc1cnn(C[C@@H]2CN(c3nc(C)cc(N(C)C)n3)CCO2)c1 69454442 VTJJXPTXUGSKLS-AWEZNQCLSA-N 316.409 1.261 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H](C)n2cncn2)n1 71870147 RIMBJMTVWDYSRW-ZIAGYGMSSA-N 302.382 1.344 0 40 DDAB CC(C)COC[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccco1 69519894 UFUOURODEYLYLD-CYBMUJFWSA-N 321.377 1.718 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN(CCCN3CCCC3=O)C2)n1 69699311 ZPPZWPLYOHTLIQ-MRXNPFEDSA-N 319.453 1.619 0 40 DDAB CNC(=O)c1cccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 83882357 GZSSHXJUXMJJIA-CQSZACIVSA-N 324.384 1.654 0 40 DDAB CN(Cc1ccncc1)S(=O)(=O)c1cn[nH]c1C(C)(C)C 71921663 SWYIWLZFDCZLSI-UHFFFAOYSA-N 308.407 1.923 0 40 DDAB CC[C@](C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)OC 97000306 XFGSPLGIKDOJMM-LBPRGKRZSA-N 307.318 1.585 0 40 DDAB CN(C)c1cc(CNC(=O)NCC[C@@H]2CCCCO2)ccn1 97054771 ZSYKDCZYJXQUGP-AWEZNQCLSA-N 306.410 1.906 0 40 DDAB O=S(=O)(CCO)CCCc1ccccc1Br 97085302 STGWDBVMXRESGJ-UHFFFAOYSA-N 307.209 1.789 0 40 DDAB Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(F)c(F)c2)n1 97373452 YXHJXZOMFKNMLV-CYBMUJFWSA-N 323.299 1.799 0 40 DDAB Cc1ccc([C@H]2CN(C(=O)Nc3cccn(C)c3=O)CCO2)o1 95437921 HKFRFEVTJKACPO-CQSZACIVSA-N 317.345 1.892 0 40 DDAB CCN1C(=O)N[C@](C)([C@H]2CCCN(CCOCC3CC3)C2)C1=O 95402630 QFIVQMNOWLSRNT-WMLDXEAASA-N 323.437 1.455 0 40 DDAB CN1CCN(CCCNC(=O)C(C)(C)c2cccnc2)CC1 95456782 BBUATFBRAUDXLJ-UHFFFAOYSA-N 304.438 1.113 0 40 DDAB CCn1cc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cn1 89305791 FTSRTJTUSBICAA-HNNXBMFYSA-N 320.780 1.687 0 40 DDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(CO)o1 89948951 ZPQHQDKSVZIFJN-MLGOLLRUSA-N 306.406 1.899 0 40 DDAB CS(=O)(=O)NCCN1CC[C@@H](CSc2ccccc2)C1 75964100 NPFKCQMBAKABLB-CYBMUJFWSA-N 314.476 1.650 0 40 DDAB NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 67318803 FMEPKHMXVNXGPA-UHFFFAOYSA-N 313.357 1.113 0 40 DDAB CC(C)c1csc2nc(CS(=O)(=O)N(C)C)[nH]c(=O)c12 225619448 PRJLPRPFUPCGKP-UHFFFAOYSA-N 315.420 1.499 0 40 DDAB Cc1[nH]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1CCc1ccccc1 61718715 PQPQXSQQZRKPTN-CQSZACIVSA-N 320.414 1.630 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NS(=O)(=O)CCC1CCCC1 408491725 BJYDDDMBTYOXIK-CQSZACIVSA-N 316.467 1.887 0 40 DDAB CCCNC(=O)CNC(=O)COCc1nc2ccccc2s1 32747981 KSLSLKIKZARJMO-UHFFFAOYSA-N 321.402 1.455 0 40 DDAB CCn1nnnc1SCc1csc(CC(=O)N(C)C)n1 32832050 KQDIXQNYPCMOQP-UHFFFAOYSA-N 312.424 1.073 0 40 DDAB Fc1ccccc1CN1CCOC[C@H](Oc2cnccn2)C1 77265916 VLBJTFMZOJPTBD-CQSZACIVSA-N 303.337 1.896 0 40 DDAB biogenic,in-vitro COc1ccc2cc(C(=O)N3CC(Nc4cnccn4)C3)[nH]c2c1 1565519842 PZZWWCTUIJAUHD-UHFFFAOYSA-N 323.356 1.903 0 40 DDAB NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 568712563 SHQOMFQNDHUEQS-DTWKUNHWSA-N 319.390 1.763 0 40 DDAB CCOC[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218001474 AVVOSUKEBKSAHU-STQMWFEESA-N 303.811 1.868 0 40 DDAB Cc1cccc(CN2CCO[C@@](C)(C(=O)N3CCOCC3)C2)c1 72379552 RHJIQKWESITBPV-GOSISDBHSA-N 318.417 1.445 0 40 DDAB NCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 72384457 SNUOOKGDSUQTCV-UHFFFAOYSA-N 313.361 1.329 0 40 DDAB CN(C)Cc1ccc(CSCCN/C(O)=C/[N+](=O)[O-])o1 77286388 LWYGJSZMBSKANI-WQLSENKSSA-N 301.368 1.798 0 40 DDAB in-vitro Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)c1C 77939548 PYNSGKOJNDVRMC-DZGCQCFKSA-N 304.390 1.909 0 40 DDAB Cc1cc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)no1 75164250 YMYXJYBEXICRBN-CYBMUJFWSA-N 315.329 1.349 0 40 DDAB C[C@H](N)C(=O)NC[C@H]1CCCN1C(=O)OCc1ccccc1 79393030 PVYRWOPHRRIRGG-GXTWGEPZSA-N 305.378 1.251 0 40 DDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NCc1ccc3c(c1)OCO3)C2 225517037 KNBDJGFZTVGIHB-LBPRGKRZSA-N 313.357 1.868 0 40 DDAB O=C(O)COc1cccc(CNS(=O)(=O)c2ccco2)c1 569056725 PUJBKAZXIDRCPJ-UHFFFAOYSA-N 311.315 1.222 0 40 DDAB CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 225223567 CBOMNICVDBKLIU-UMVBOHGHSA-N 322.430 1.612 0 40 DDAB COc1cccc(-c2nnsc2C(=O)N2CCN(C)CC2)c1 225767294 PBLQBGBEQYBTLA-UHFFFAOYSA-N 318.402 1.601 0 40 DDAB C[C@@H](NCc1ncccc1F)c1cccc(S(N)(=O)=O)c1 530471518 CKDNRYCLTYZRNS-SNVBAGLBSA-N 309.366 1.719 0 40 DDAB CCC[C@@]1(CO)CCN(C(=O)c2cc(CN3CCCC3)on2)C1 573176314 DLBBQKZWACUCRA-QGZVFWFLSA-N 321.421 1.895 0 40 DDAB COc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)ccc1O 194999341 LMZAYXRYBYWRNG-ZDUSSCGKSA-N 308.422 1.678 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccccc2)[C@H]1Cc1cnn(C)c1 96200914 HBXLLUWJRSREEW-SJORKVTESA-N 312.417 1.808 0 40 DDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccco1 238822261 CXQFCBPPBFEVAW-UHFFFAOYSA-N 312.333 1.248 0 40 DDAB O=C(CO[C@@H]1CCNC[C@@H]1Cc1ccccc1)N1CCCC1 96215149 DUJFQRUXTBONNP-DLBZAZTESA-N 302.418 1.846 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccoc1 96062097 BKBRQYBINRDNAO-NSHDSACASA-N 312.333 1.333 0 40 DDAB COC[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)C1CC1 96485919 DVHPCSIARBRJMJ-JQWIXIFHSA-N 323.359 1.689 0 40 DDAB O=C(NCc1ccoc1)N1CCN(c2ncccc2F)CC1 331877500 OLSOGFPZIJALFJ-UHFFFAOYSA-N 304.325 1.846 0 40 DDAB COC(=O)[C@@H]1CC(=O)N([C@@H]2CCN(Cc3ccccc3)C2)C1 95919655 DRUJCAWXFFYOAX-HUUCEWRRSA-N 302.374 1.282 0 40 DDAB CC(C)CNc1nc2c(cc1C(=O)NCC1CC1)CCNCC2 96260535 VUTHPDXCHCLGSY-UHFFFAOYSA-N 316.449 1.978 0 40 DDAB OCCn1ncc2c(N3CC[C@@H]4CCCC[C@@H]4C3)ncnc21 97200304 DMUCLOSQNVLPSE-QWHCGFSZSA-N 301.394 1.835 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccc(C)o1)OCC2 96059714 IRWVWIYASJEDFM-CQSZACIVSA-N 319.361 1.475 0 40 DDAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@@H]1CCN(C)C1=O 96440689 WLWZUIGOHCMFFL-HUUCEWRRSA-N 303.406 1.846 0 40 DDAB COc1ccc(=NC(=O)N2CCOC[C@@H](C3CCC3)C2)[nH]n1 333205009 SBURDVHCLBSZSB-LBPRGKRZSA-N 306.366 1.188 0 40 DDAB Cc1cccc(CN2CCn3c(Cn4cncn4)cnc3[C@@H]2C)n1 96201280 FCFMDPRMIRSCIE-AWEZNQCLSA-N 323.404 1.803 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cccnc3)C2)n1 96041219 BPIMTEJQBKHSIL-RRFJBIMHSA-N 300.362 1.920 0 40 DDAB Cc1nc(CNC(=O)Cc2cccc(Br)c2)no1 96412424 HINFKQXSAHPAOB-UHFFFAOYSA-N 310.151 1.999 0 40 DDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(CN)C(=O)O)cc1 242648570 RAQRABVSSMLRLU-VNHYZAJKSA-N 311.403 1.179 0 40 DDAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cncnc2)ccn1 257298864 RNODNSFSJCBXAN-KRWDZBQOSA-N 311.389 1.845 0 40 DDAB Cc1cc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)no1 257336665 YPLHTBVHKGOAGE-LLVKDONJSA-N 302.334 1.597 0 40 DDAB COc1ccc(C(=O)N2C(=N)O[C@@H]3CSC[C@@H]32)cc1OC 257210031 BSVGJAQUKGECLJ-JOYOIKCWSA-N 308.359 1.595 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@H]1CCCO1 28327734 CEFIKHKFGHIEIA-DTWKUNHWSA-N 319.404 1.381 0 40 DDAB CC(C)=CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 29986289 JRXXJLSSXUQSTM-UHFFFAOYSA-N 315.417 1.413 0 40 DDAB COC(=O)NCC(=O)N(CCN1CCCC1)Cc1ccccc1 72277515 JQOBJBOXBXVTOT-UHFFFAOYSA-N 319.405 1.467 0 40 DDAB COCc1nsc(N2CCN(c3cc(C)ncn3)CC2)n1 1776009338 DTICYQVAJCHXCA-UHFFFAOYSA-N 306.395 1.110 0 40 DDAB C[C@@H](C(N)=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110765 AKVNMGKMWHUVTA-VIFPVBQESA-N 313.760 1.111 0 40 DDAB COCCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 40476679 YJASFBZXMPLLGP-GFCCVEGCSA-N 322.430 1.734 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c(=O)[nH]1 75118613 YTUKXCHDGWCYON-ZDUSSCGKSA-N 323.356 1.703 0 40 DDAB Cc1ccc(C(=O)N2CCN(CC[S@](C)=O)CC2)cc1F 76020372 CFBVYAMMGACERP-OAQYLSRUSA-N 312.410 1.270 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)n[nH]1 76060255 JVLIIVNXCMIYMJ-JTQLQIEISA-N 316.365 1.149 0 40 DDAB CC(C)c1n[nH]c([C@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n1 78892761 PBMWHSLBZGYPJJ-CYBMUJFWSA-N 317.393 1.200 0 40 DDAB O=C(COc1cc(Cl)ccc1Cl)NCCn1ncnn1 79109962 HYHZCSQMYGZMAW-UHFFFAOYSA-N 316.148 1.175 0 40 DDAB O=S(=O)(NCc1ccnc(N2CCCC2)c1)N1CCCCC1 42677675 XGJCOXWETCWVIS-UHFFFAOYSA-N 324.450 1.502 0 40 DDAB CCOC(=O)CSc1nc2c(c(=O)n1CC)S[C@@H](C)C2 250297 BFKFHWCLMTYDCA-QMMMGPOBSA-N 314.432 1.955 0 40 DDAB CN(C)CCN(C)c1nc(O)cc(Cc2ccccc2F)n1 19582509 IHBFMYJZYBEKGB-UHFFFAOYSA-N 304.369 1.910 0 40 DDAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)co1 158360903 OAXNIHSZUFMBSB-CYBMUJFWSA-N 322.386 1.795 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)c3c(C)noc3C)C2)nn1 225437947 YOECTTYFVAZMLQ-LLVKDONJSA-N 318.333 1.384 0 40 DDAB CC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C 7425935 CWUQGQSOPRKERZ-SECBINFHSA-N 324.406 1.149 0 40 DDAB O=C(NC1CCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 10325609 HRYLNXDPYGSPAP-UHFFFAOYSA-N 319.380 1.533 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 13794032 DNLBGGXUPLOEDW-CQSZACIVSA-N 324.402 1.642 0 40 DDAB O=S(=O)(NCC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 575607463 NIOPIYCBIWRRBG-OAHLLOKOSA-N 324.446 1.466 0 40 DDAB O=C(CSc1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 4564092 QDJBQTIDNDEXSD-JTQLQIEISA-N 303.380 1.221 0 40 DDAB COC(=O)c1cc(CNc2nccc(OC)n2)ccc1OC 9690192 RDDVDNAVIVBXST-UHFFFAOYSA-N 303.318 1.893 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3ncccc3F)C2)nn1 1888849879 FPSFOBBOFWCDHN-LBPRGKRZSA-N 316.336 1.860 0 40 DDAB O=C(NC1CN(c2cnccn2)C1)c1cc(-c2ccccc2)on1 1888890832 ZIWQZPBEVRWYNM-UHFFFAOYSA-N 321.340 1.750 0 40 DDAB Cn1cnc(S(=O)(=O)NCc2cc(F)cc(F)c2)c1Cl 30517811 VXYWMWZNVNFDHQ-UHFFFAOYSA-N 321.736 1.830 0 40 DDAB O=C(Nc1nc2ccccc2[nH]1)c1cc(N2CCOCC2)ncn1 244986295 JOZCFSRCVCCQAT-UHFFFAOYSA-N 324.344 1.442 0 40 DDAB CN1C[C@]2(CCN(C(=O)CCc3ccccc3)C2)COCC1=O 2037985750 VCQKMBWZPAYAFK-SFHVURJKSA-N 316.401 1.327 0 40 DDAB CC(C)NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342491 HTBKGCXUOZHLSZ-UHFFFAOYSA-N 315.373 1.375 0 40 DDAB CC(=O)NCc1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 20598658 DDERMABAPRKSPI-HNNXBMFYSA-N 305.309 1.551 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](C)N1CCCC[C@H]1C 32441056 LAQMACZONGDEOM-MNOVXSKESA-N 315.439 1.833 0 40 DDAB COC(=O)c1ccc(Cn2nc(-c3ccccn3)n(C)c2=O)cc1 206639406 NVPCJRCHQVLAKP-UHFFFAOYSA-N 324.340 1.479 0 40 DDAB Cc1cccc(C(=O)NCCNC(=O)CC2(O)CCCC2)c1 73016407 LITCPOSIBVXFEA-UHFFFAOYSA-N 304.390 1.536 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)NCC(F)(F)F)cn2)C[C@H](C)O1 30040477 PEPXZKMFUWZGPV-UWVGGRQHSA-N 317.311 1.987 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)NCCOc1cccc(F)c1 40091452 OECIMRMKMHJAQR-NSHDSACASA-N 311.357 1.418 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 30921441 HRPDBLQOQLMMBF-CHWSQXEVSA-N 312.435 1.691 0 40 DDAB NC(=O)CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 40540749 KQELHNZQPCXHFR-CQSZACIVSA-N 310.369 1.153 0 40 DDAB C1=C[C@H]2C[C@H]1C[C@H]2CNC[C@@]1(N2CCOCC2)CCSC1 101542556 VZXKIOHAIBOJKR-QAETUUGQSA-N 308.491 1.996 0 40 DDAB COC(=O)NCC(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 52013021 NTNQASLOIFDFSO-UHFFFAOYSA-N 308.334 1.522 0 40 DDAB O=C(Nc1ccccc1F)C1=NN(c2ccccc2)C(=O)CN1 32645864 JQTZCKGWSQRYNS-UHFFFAOYSA-N 312.304 1.714 0 40 DDAB CCNC(=O)CN1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 32770118 PSPXQICGJXRTPO-GFCCVEGCSA-N 323.441 1.182 0 40 DDAB CCN(C(=O)/C=C(\C)c1ccc(F)cc1F)[C@@H]1CC(=O)NC1=O 102335549 YKNJXQYUGMZWNM-YSKGHYERSA-N 322.311 1.632 0 40 DDAB O=C(NC[C@H]1CCOC1)c1ccc(Cn2ccccc2=O)o1 41369194 NUFGUYYFFZNSIM-GFCCVEGCSA-N 302.330 1.256 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)OCC(=O)N2 33207843 PAIQFBJTCSBQKQ-SNVBAGLBSA-N 300.314 1.972 0 40 DDAB CN[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(OC)cc2C)C1 53203140 DZXATOCNNHBOJC-CYBMUJFWSA-N 312.435 1.685 0 40 DDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53864750 TWVXYIQSUXQECA-HNNXBMFYSA-N 323.418 1.820 0 40 DDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCCN(C)C 72680633 IGMJMPTWENVCPP-ZDUSSCGKSA-N 311.451 1.570 0 40 DDAB Cc1ccn(CC(=O)Nc2cccc(C(=O)N(C)C)c2)c(=O)c1 78526786 MUVNYLYYSXGIBW-UHFFFAOYSA-N 313.357 1.497 0 40 DDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1 2384970 UEKYKRQIAQHOOZ-KGLIPLIRSA-N 301.346 1.032 0 40 DDAB endogenous,in-man O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F 3154989 PCGKHZTZDMCZNE-JTQLQIEISA-N 300.236 1.842 0 40 DDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 4111511 RYQFULUTYVUREJ-HNNXBMFYSA-N 322.430 1.243 0 40 DDAB NC(=O)CCCNC(=O)c1ccc(OCC(F)(F)F)nc1 42925530 PWVDJPCXBPPZFN-UHFFFAOYSA-N 305.256 1.018 0 40 DDAB O=C(O)C1=C[C@H](c2cccc(Br)c2)n2nnnc2N1 4998550 KEIOGYBCFQFBRB-SECBINFHSA-N 322.122 1.419 0 40 DDAB CCn1cnnc1CNC(=O)N[C@@H]1CCOc2ccccc21 47866895 GXYCKJMHZOZKLA-GFCCVEGCSA-N 301.350 1.621 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(C(N)=O)C2)c1 7961373 TURCGTQQYAMOLU-LBPRGKRZSA-N 319.361 1.511 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCOc2ccccc21 35149021 ADPKNDSDCKLCKK-LBPRGKRZSA-N 307.375 1.829 0 40 DDAB Cc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)nc1 56723441 OBTWFZVAFIBZLS-LBPRGKRZSA-N 323.356 1.667 0 40 DDAB Cc1[nH]ncc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 89313342 KOESIQZVHPMERE-CQSZACIVSA-N 312.373 1.497 0 40 DDAB COC(=O)c1ncn(CN2CCC[C@@H]2Cc2ccc(F)cc2)n1 58267514 MZVZNMZAIPCGKX-CQSZACIVSA-N 318.352 1.868 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101615783 PHGWOEITLMNJNA-VTPLQMEGSA-N 303.362 1.176 0 40 DDAB CC(=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)s1 48234598 DJLQSCRKJHTSOK-UHFFFAOYSA-N 316.386 1.703 0 40 DDAB O=C(NC1CCN(C2CC2)CC1)c1cc(=O)[nH]c2ccccc12 48264073 VKWXCHRCMHIWOE-UHFFFAOYSA-N 311.385 1.885 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCOC3)cn2)n1 44919029 WYVYTIOIUAWOQX-CYBMUJFWSA-N 300.362 1.650 0 40 DDAB O=C(CCCNc1ncccn1)NCCc1nc2ccccc2[nH]1 44944977 BEBKCCANVUKSNO-UHFFFAOYSA-N 324.388 1.904 0 40 DDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cccn2)c1 101589482 PZXBKFSDZCVWGF-VGWMRTNUSA-N 323.352 1.598 0 40 DDAB COCCC(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 107207638 OBZVJWMEJLCFPX-VYDXJSESSA-N 320.389 1.393 0 40 DDAB CCNC(=O)C1(NC(=O)c2cn3ccccc3n2)CCCCC1 58408937 DNEMKONRYSQBLY-UHFFFAOYSA-N 314.389 1.903 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 10681300 USKFVXSPGUVRRS-VIFPVBQESA-N 320.208 1.859 0 40 DDAB NS(=O)(=O)NCc1ccc(OCc2cccc(F)c2)cc1 95948732 NKFVAWDVPBWPBB-UHFFFAOYSA-N 310.350 1.698 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1CCCc1nc2ccccc2o1 109760545 YEZVWMVFHDGFOY-YPMHNXCESA-N 304.346 1.369 0 40 DDAB O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)c1ccccc1 11238993 GUPNRVRMBJSDQN-CYBMUJFWSA-N 303.339 1.565 0 40 DDAB CC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1 60214594 AEGLOCNUHFRJHT-UHFFFAOYSA-N 323.352 1.818 0 40 DDAB CCN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 60671855 NOGLNFQRULCYBW-LLVKDONJSA-N 319.386 1.279 0 40 DDAB Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1 26850535 VQIDFESVACULBB-CYBMUJFWSA-N 309.366 1.915 0 40 DDAB CCn1cc(/C=C2/NC(=S)N(C[C@@H]3CCCO3)C2=O)cn1 2752052 XYUCSUSLDXFECQ-DREKTBMASA-N 306.391 1.140 0 40 DDAB Cn1ccc(N[C@@H](C(N)=O)c2cccc(Br)c2)n1 95978006 JEMSAEHHYIYYRD-LLVKDONJSA-N 309.167 1.821 0 40 DDAB C[C@H](OC(=O)c1cnn(C)c1)C(=O)N1c2ccccc2C[C@@H]1C 12850679 SCWLNQLJIJRMGB-RYUDHWBXSA-N 313.357 1.943 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(c1ncnc3[nH]cnc13)CC2 95400843 LJGAECYPWFDGTN-WDEREUQCSA-N 303.366 1.109 0 40 DDAB Cc1cc(C)n2c(SCC(=O)Nc3cc(C)on3)nnc2n1 3429201 OBHJZNFONSLIFI-UHFFFAOYSA-N 318.362 1.768 0 40 DDAB COCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 3458882 YHXXFXJIMICPCF-UHFFFAOYSA-N 323.374 1.600 0 40 DDAB CN1C(=O)C[C@H](NC(=O)c2ccncc2)[C@H]1c1ccc(F)cc1 95440516 ARBXGIDPMJKZHN-GOEBONIOSA-N 313.332 1.923 0 40 DDAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 12926559 OQQVMOHMCKZECU-LLVKDONJSA-N 321.320 1.551 0 40 DDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CO)c1 48865124 VSJYUGMYDMVFBU-ZDUSSCGKSA-N 312.391 1.099 0 40 DDAB Cc1cc(=O)[nH]c(SCC(=O)OCCOc2ccccc2)n1 13306630 DEIRSGRHGDITHO-UHFFFAOYSA-N 320.370 1.793 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 3901337 DQEZVRWVDDZINX-LBPRGKRZSA-N 306.362 1.201 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(-c3ccco3)n2)C1 95417894 BIKFBZFBBRZQEI-ZDUSSCGKSA-N 316.361 1.270 0 40 DDAB CC[C@@H](Cc1ccccc1)N(C)Cc1nc(N)nc(N(C)C)n1 83212787 CGFTXEJUVQEFSJ-AWEZNQCLSA-N 314.437 1.973 0 40 DDAB CCc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)[nH]n1 95437846 XGESLHOJZOQZPM-AWEZNQCLSA-N 319.336 1.625 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2ccco2)[nH]n1 65410521 HHZASXHEFLPILT-UHFFFAOYSA-N 320.330 1.095 0 40 DDAB c1ccc([C@H](CNc2ccc3nnnn3n2)N2CCCC2)cc1 14068241 ULINOSVPAUMLJQ-AWEZNQCLSA-N 309.377 1.768 0 40 DDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C1=COCCO1 14183524 FEAFSTIELYYEFP-UHFFFAOYSA-N 310.737 1.591 0 40 DDAB Cc1oc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1C 14185714 JUBGUICIRCNBNF-UHFFFAOYSA-N 300.362 1.957 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(c2nccs2)CC1 65609735 QDWDJFMKGVGBKG-LLVKDONJSA-N 318.406 1.082 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1 14381379 LOELJSOYDMTNNH-UHFFFAOYSA-N 320.732 1.927 0 40 DDAB COCCNC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 4616259 HVWFGPGQMRAXNJ-UHFFFAOYSA-N 308.422 1.614 0 40 DDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 6623288 GUDCCJQUOSSOLO-UHFFFAOYSA-N 320.374 1.332 0 40 DDAB COc1ccccc1/C(C)=C/C(=O)Nc1cnn(CC(N)=O)c1 66615355 NNAZZQVYIJZGBU-YRNVUSSQSA-N 314.345 1.419 0 40 DDAB COc1cccc(N2C(=O)C[C@H](Sc3ncn[nH]3)C2=O)c1 4867178 PJNLTEIBWVPFCV-JTQLQIEISA-N 304.331 1.238 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c2cnn(C(C)C)c2n1 71793025 RTSYFCHRGBXMAM-LLVKDONJSA-N 315.377 1.268 0 40 DDAB COCC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96454525 IDVVMTDVAIKBNT-LBPRGKRZSA-N 304.268 1.169 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc(Cl)cc1F 9501307 IOBGNTSYDRGOCY-UHFFFAOYSA-N 313.760 1.628 0 40 DDAB C[C@@](O)(CNC[C@H]1CCCN1c1cccnn1)c1ccccc1 71859928 SATDXCPSXXKDKA-SJLPKXTDSA-N 312.417 1.943 0 40 DDAB CCn1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1=O 91012128 BDJYALFYNYWVLL-ZDUSSCGKSA-N 306.410 1.176 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC/C=C/c1ccccc1 71902901 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CCn1c(C)nnc1Cn1ncc2c1CC[C@H](C(=O)OC)C2 97047966 IVMNSEKXTGFZLN-NSHDSACASA-N 303.366 1.129 0 40 DDAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 408761757 LFKJLNAONCAJPJ-XJIUQZFPSA-N 313.309 1.445 0 40 DDAB COc1ccccc1CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269567 WBZKATZINUIXEL-JKSUJKDBSA-N 318.417 1.295 0 40 DDAB O=C([C@@H](O)c1ccccc1)N1CCN([C@H]2CCSC2)CC1 87494074 FIKOHCPRLOXTOD-GJZGRUSLSA-N 306.431 1.370 0 40 DDAB CN(C[C@H](O)CO)C(=O)Nc1ccccc1N(C)C1CCCC1 97164746 KGKBDIWIUSIHRJ-AWEZNQCLSA-N 321.421 1.882 0 40 DDAB Cc1cc(C(=O)NCc2ccc(-n3cccn3)nc2)nc(C)n1 97109472 WNYXFAXHYSUDNP-UHFFFAOYSA-N 308.345 1.604 0 40 DDAB Cc1n[nH]c(C)c1CNC[C@]1(N2CCOCC2)CCSC1 97160051 AMYTYDNKQLPLGZ-OAHLLOKOSA-N 310.467 1.324 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cn2ccccc2n1 87563230 GVEJZASRFXTFHX-LLVKDONJSA-N 310.361 1.753 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2nc3c(s2)CCC3)cn1C 72405014 GZTQUBNWOCDCIK-UHFFFAOYSA-N 319.386 1.656 0 40 DDAB C[C@H]1CC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 75093262 GHWGOSKNUVNQTP-GWCFXTLKSA-N 311.765 1.613 0 40 DDAB Cn1ccc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cc1=O 89756644 KHOISNQFYFYMFC-LBPRGKRZSA-N 314.345 1.623 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@H](O)c2cc3ccccc3s2)N1 89873097 IDIMNABZMSUKTR-MNOVXSKESA-N 304.371 1.330 0 40 DDAB Cc1nc([C@H]2CCCN2CCn2nc3ccccn3c2=O)no1 75573151 MWOPSSHYVVRXRP-GFCCVEGCSA-N 314.349 1.025 0 40 DDAB Cc1n[nH]c([C@@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)n1 76048839 MEZXBGMUCQPRFI-FPTDNZKUSA-N 320.418 1.294 0 40 DDAB Cn1cnc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)C[C@@H]2N)c1 1549737996 LSMLGEMXMGTFFQ-IRXDYDNUSA-N 324.428 1.405 0 40 DDAB CCC1(CO)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551494871 NQXQDIYPXDOXFM-HZPDHXFCSA-N 317.433 1.805 0 40 DDAB Cc1c(-c2cc(C(F)F)n3nc(CC(=O)O)nc3n2)cnn1C 35655489 PGFGKERUFOEBHT-UHFFFAOYSA-N 322.275 1.398 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NCc1ccccc1 32193537 GKZOVTXPMOIOQO-UHFFFAOYSA-N 308.341 1.498 0 40 DDAB CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCNCC3)[C@@H]2C1 521398779 LWYTVYRBKASNOF-NEPJUHHUSA-N 311.382 1.179 0 40 DDAB O=C(C[C@H]1CCCO1)NCCc1nc(-c2ccccc2)n[nH]1 189794112 KNXURNXDMDVDMG-CYBMUJFWSA-N 300.362 1.700 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NCc1ccc(OCC(F)(F)F)cc1 25443078 ANKNRVNUQOYZSD-VIFPVBQESA-N 318.295 1.769 0 40 DDAB CS(=O)(=O)C[C@H]1CCN(C(=O)Nc2cccc3c2OCC3)C1 529201323 YMVHVXKFWUVBNE-NSHDSACASA-N 324.402 1.520 0 40 DDAB CCOc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2occc12 72240118 YWILLKVXONFMTG-LLVKDONJSA-N 323.370 1.748 0 40 DDAB CCN(CC)CCn1c(S)nnc1-c1nc(C)cc(C)n1 35183090 MPLLQTOSVVGBHB-UHFFFAOYSA-N 306.439 1.982 0 40 DDAB COc1ccc(CNC(=O)c2ccc(-n3nnnc3C)cc2)cc1 71283941 WUJRKONSBSRYDM-UHFFFAOYSA-N 323.356 1.909 0 40 DDAB CCCc1nnc(SCC(=O)NC2CC2)n1C[C@H]1CCCO1 35313120 BRKXGWPVMJFPOE-GFCCVEGCSA-N 324.450 1.780 0 40 DDAB C[C@H]1CCC[C@H](OCC(=O)N[C@@H](C)CCN2CCOCC2)C1 79310532 ABRDHZFHUWCCNY-JYJNAYRXSA-N 312.454 1.809 0 40 DDAB Cc1nc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2o1 78261465 IWLQKEZLTXAWAW-JTQLQIEISA-N 309.347 1.445 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccccc1 72239960 KBVLAMHLAZWPBS-SNVBAGLBSA-N 323.399 1.122 0 40 DDAB COCCN(C)C(=O)c1cc(C)nc(C2CCN(C)CC2)n1 72365681 OURVYWNCTFBZJP-UHFFFAOYSA-N 306.410 1.313 0 40 DDAB O=C(O)CCN(C(=O)c1ccnc(C2CC2)n1)C1CCOCC1 564767653 BMXDVAASGHERKG-UHFFFAOYSA-N 319.361 1.450 0 40 DDAB COc1ccc([C@H]2CCC(=O)N2CCN2CCOCC2)cc1 75874118 QAYFBIXDNVBDAS-MRXNPFEDSA-N 304.390 1.691 0 40 DDAB COc1ccccc1Cn1ccc2c(nnc3ccnn32)c1=O 40388033 YTERFUWMLCJMJO-UHFFFAOYSA-N 307.313 1.496 0 40 DDAB CCOC(=O)c1cnn([C@H]2CCCN(Cc3cc[nH]n3)C2)c1 195555909 LLEUYVGWAGRRBX-AWEZNQCLSA-N 303.366 1.620 0 40 DDAB Cc1noc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 44455372 GXKKGHXQFYQNAS-UHFFFAOYSA-N 305.718 1.649 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NC[C@@H]1CCCO1 40266927 ZBXKTBOUCVNKOV-ZDUSSCGKSA-N 307.398 1.309 0 40 DDAB Cc1nnsc1C(=O)NC[C@]1(O)CCc2ccccc2C1 85559753 WEJTVNMCQLJULN-HNNXBMFYSA-N 303.387 1.496 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2nc3c(s2)CCC3)c[nH]1 95472431 WCAXBNWRGUJCGY-UHFFFAOYSA-N 305.359 1.646 0 40 DDAB COCc1ccc(C(=O)N[C@H]2CCc3nnc(C)n3C2)cc1 97198854 VELMAGSOGQRGNV-AWEZNQCLSA-N 300.362 1.478 0 40 DDAB Cc1cc(N[C@H]2CCO[C@]3(CCSC3)C2)n2ncnc2n1 96481123 RMBMEXMETLVMSA-SMDDNHRTSA-N 305.407 1.899 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4occc4C)C[C@H]3O2)n1 96220522 KZBOBCBROOZAAW-RWMBFGLXSA-N 317.345 1.752 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(CC4CC4)CC[C@H]3C2=O)cn1 96206939 PFPIUMQQYYWJIE-SJORKVTESA-N 315.417 1.854 0 40 DDAB C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)Cc1ccon1 96427892 CPQQXSNIGVCPBY-WFASDCNBSA-N 322.386 1.966 0 40 DDAB CCOc1cccc(CNC(=O)CN2CCO[C@@H]3CCC[C@H]32)c1 230082268 YYQKIJSFBNBYCY-IAGOWNOFSA-N 318.417 1.955 0 40 DDAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)CN(C)C3=O)cc1 96202809 CYFHHXDZKREPOD-UHFFFAOYSA-N 322.430 1.492 0 40 DDAB O=Cc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 97513954 GMGJDMFSGABFII-UHFFFAOYSA-N 311.297 1.686 0 40 DDAB O=C(NC1CCC1)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1 96074504 SDPBNIMXXPPNSW-HNNXBMFYSA-N 320.418 1.533 0 40 DDAB CCNC(=O)NC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 96492402 AUOLKOLRRDMNHI-CYBMUJFWSA-N 318.421 1.783 0 40 DDAB CNC(=O)c1cccnc1NCc1nncn1-c1ccccc1 91429868 PBGRCOGETOGOBY-UHFFFAOYSA-N 308.345 1.634 0 40 DDAB CO[C@@H](C)C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96454562 TZESBQXDBUGIDK-ISVAXAHUSA-N 318.295 1.557 0 40 DDAB CCc1noc(C2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)n1 97234085 AUZZJGBDBDRQHO-MCIGGMRASA-N 313.423 1.435 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(c4nnc(C)s4)C[C@@H]32)n1 96219084 DYUJLMFWUKYXLN-HBNTYKKESA-N 307.379 1.232 0 40 DDAB Cc1cccc(NC[C@@H]2CCN(c3ccc4nnnn4n3)C2)n1 97201001 JEECLPCGOFLKDA-LBPRGKRZSA-N 310.365 1.161 0 40 DDAB CCOCC(=O)N1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2C1 96246156 JDMBFBRWNDKSPG-LSDHHAIUSA-N 321.421 1.608 0 40 DDAB CCO[C@@H]1C[C@](CO)(N[C@H]2CCCN(C(C)C)C2=O)C1(C)C 248729146 IZQOREAROXJLFX-JJRVBVJISA-N 312.454 1.542 0 40 DDAB C[C@H](CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 25629747 ZTNDUDGNITYNMD-GFCCVEGCSA-N 312.373 1.359 0 40 DDAB CC(C)Oc1ccc([C@@H]2CNCCN2CC(=O)N(C)C)cc1 257226785 FMEIKJJWYNLJLU-INIZCTEOSA-N 305.422 1.508 0 40 DDAB Cc1ccc(C(=O)N2CCOC[C@H](Cc3ccncn3)C2)cn1 257293622 QQKBAGJUQMEMHO-CQSZACIVSA-N 312.373 1.511 0 40 DDAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1 257336610 YPFBAVJBBPVKHK-MRXNPFEDSA-N 318.327 1.731 0 40 DDAB COc1ccc(F)cc1C(=O)N1CC[C@](O)(CN2CCCC2)C1 257276493 NTZWMZPCXKWOPQ-KRWDZBQOSA-N 322.380 1.507 0 40 DDAB COc1nc(OC)nc(N2CCC[C@H](c3ccncn3)C2)n1 257204232 ATQKCXDSSAFUCE-JTQLQIEISA-N 302.338 1.063 0 40 DDAB NC(=O)NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 26113839 CPBGREHTHAAFTM-UHFFFAOYSA-N 305.378 1.232 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1ccnc(F)c1)C2 585111012 RDIGZPFIMRMXDQ-CYBMUJFWSA-N 318.352 1.823 0 40 DDAB COCc1nnc2n1CCN(Cc1ccc(CO)cc1)[C@H]2C 585097777 POMXAPYKPQVDHH-LBPRGKRZSA-N 302.378 1.494 0 40 DDAB Cc1nsc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)n1 95986883 ZHFVMBJETQIQFF-UHFFFAOYSA-N 321.387 1.785 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCO2 96025969 MRONCJUFELQLIH-CYBMUJFWSA-N 317.432 1.014 0 40 DDAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCNC(=O)C1 11462381 NDURTMWCIASIJF-SECBINFHSA-N 313.304 1.047 0 40 DDAB O=S(=O)(c1ccc(Br)cc1)c1ccc(O)nn1 11536222 MKFSHYSDCZFZEZ-UHFFFAOYSA-N 315.148 1.778 0 40 DDAB in-vivo CCn1ccnc1N1CCN(C(=O)c2ccccc2OC)CC1 12444556 NGXGTWZGWWSRKE-UHFFFAOYSA-N 314.389 1.874 0 40 DDAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458304 PZQPWESTEOJOSP-STQMWFEESA-N 316.405 1.904 0 40 DDAB CCC[C@H]1CCc2nc(NC(=O)[C@H]3COCCN3)sc2C1 154280786 IZALWLNLJZTKIU-CMPLNLGQSA-N 309.435 1.975 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Oc2cccnn2)C1 225416611 DWLUVSYUMVRKIY-LBPRGKRZSA-N 301.350 1.120 0 40 DDAB CCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 7425531 CGGBAWTWXKTSGZ-UHFFFAOYSA-N 305.382 1.070 0 40 DDAB Cn1cc(C(=O)N2CCc3ncc(Cl)cc3C2)ccc1=O 13265467 OQQHOJWDQRVSRX-UHFFFAOYSA-N 303.749 1.632 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 16047461 ATNCNDQPUGYLAV-HZSPNIEDSA-N 317.389 1.611 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(C[C@@H]2CCCCO2)C1)C1CC1 1889116307 YUJFKMKCGGNBCK-OLZOCXBDSA-N 302.440 1.102 0 40 DDAB CC(C)N1C[C@@]2(CCN(C(=O)c3cncs3)C2)COCC1=O 2037984656 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CCN(Cc1ccc2c(c1)OCCO2)c1ccc2nnnn2n1 23175387 BYNOEOVETFLYFY-UHFFFAOYSA-N 312.333 1.317 0 40 DDAB CC(=O)N1CCN(C(=O)CCCCCNc2ncccn2)CC1 79475999 PYUPPJQDNLMLQK-UHFFFAOYSA-N 319.409 1.140 0 40 DDAB COc1cccc(-c2noc(CCC(=O)N3CCOCC3)n2)c1 2416208 GMJXNMDYPBNUNL-UHFFFAOYSA-N 317.345 1.537 0 40 DDAB C[C@@](O)(CNC1CCC(C(F)(F)F)CC1)CN1CCOCC1 97145909 PTVWOWBFNSMUHW-JXQTWKCFSA-N 324.387 1.780 0 40 DDAB NC(=O)CCCCNS(=O)(=O)c1c(F)cccc1Cl 97147241 XIJANEYETCIRMP-UHFFFAOYSA-N 308.762 1.413 0 40 DDAB O=C(COc1ccc(F)cc1F)NC(=O)NCc1ccco1 24048255 JGIIEYHNNRBWIY-UHFFFAOYSA-N 310.256 1.963 0 40 DDAB CC(C)(CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)N1CCOCC1 105763593 IYKVWVRLVUAIGC-IHRRRGAJSA-N 311.495 1.750 0 40 DDAB CCC[C@H](C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 4682043 NVQSJJWSUKSPNC-NSHDSACASA-N 316.398 1.897 0 40 DDAB CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)n2ncnc2N[C@@]1(C)O 6822323 UJUIRZOSFAEDOK-SCRDCRAPSA-N 306.753 1.860 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 108928843 APEINNYJGPSPHV-SDDRHHMPSA-N 306.362 1.852 0 40 DDAB COC(=O)[C@@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O 8391617 MSMKDPBNULEUFZ-LDYMZIIASA-N 309.343 1.594 0 40 DDAB CCOc1ncccc1C(=O)NCC(C)(C)N1CCOCC1 25777780 URBUWXHWMBXUHT-UHFFFAOYSA-N 307.394 1.321 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)n2ccnc2)C[C@H]1N1CCOCC1 107354674 BDSHWZZAHMBHBU-RRFJBIMHSA-N 306.410 1.013 0 40 DDAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 26387480 LIRJDNJGVJKUGH-UHFFFAOYSA-N 310.331 1.714 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(Br)c[nH]1 37845868 IMCCNFPKIIMDSE-YUMQZZPRSA-N 314.183 1.503 0 40 DDAB CSc1nccn1-c1ccc(C(=O)Nc2nc[nH]n2)cc1 48234880 OPAVRQYJAHDXHT-UHFFFAOYSA-N 300.347 1.965 0 40 DDAB O=C(COC1CCCC1)NCCNC(=O)c1ccc(O)cc1 48274910 YQPRRLDVYLEYIB-UHFFFAOYSA-N 306.362 1.197 0 40 DDAB CNC(=O)C1CCN(CCn2c(=O)oc3ccccc32)CC1 44899048 ODTIZHRTLCNKFB-UHFFFAOYSA-N 303.362 1.053 0 40 DDAB O=C(Nn1cnc2ccccc21)N1CCN(c2ncccn2)CC1 10260632 IADPNOPBKCXLJN-UHFFFAOYSA-N 323.360 1.312 0 40 DDAB CC[C@@](C)(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)OC 58210261 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COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)N(C)C)c1 45195585 ABPLELGAKZMLLH-IUODEOHRSA-N 317.393 1.267 0 40 DDAB NC(=O)CCCOC(=O)/C=C/c1c(Cl)nc2sccn12 72310829 TVOZPIALSHHMPC-ONEGZZNKSA-N 313.766 1.871 0 40 DDAB C[C@H](NC(=O)N[C@H](C)CCc1ccc(O)cc1)c1nncn1C 45380735 UPRCSOZEXXNESF-NEPJUHHUSA-N 317.393 1.902 0 40 DDAB O=C([C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1)N1CCOCC1 48363306 AUCPFXZVBGMYQX-CABCVRRESA-N 306.406 1.440 0 40 DDAB COC(=O)CCCNC(=O)CN(C)Cc1ccccc1Cl 48362422 ZGEJBGXUQOFUGB-UHFFFAOYSA-N 312.797 1.841 0 40 DDAB c1ccc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)nc1 108536017 NEHSMSRLCWLUMS-OALUTQOASA-N 324.428 1.952 0 40 DDAB CCc1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 12823206 LNIJEMRBPDSYOS-ZDUSSCGKSA-N 310.419 1.859 0 40 DDAB COc1cccc([C@H](O)CN2CCC[C@H](NC(=O)C(C)C)C2)c1 110596744 DLLBTSLQBYHHAW-DOTOQJQBSA-N 320.433 1.965 0 40 DDAB O=C(NCc1ccncc1)C1=NN(Cc2ccccc2)C(=O)CC1 60961528 CKIJKDWEIFGFGV-UHFFFAOYSA-N 322.368 1.876 0 40 DDAB CCNC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1 3560123 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Cc1ccc(C(=O)N[C@H]2C(=O)NN[C@@H]2c2ccc(C)cc2)cc1 4550943 AUKLVYMEAMDFKK-HZPDHXFCSA-N 309.369 1.778 0 40 DDAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 5488906 ZAOWJNJPWWLAJC-JTQLQIEISA-N 313.361 1.233 0 40 DDAB CCN(CC)CCCNC(=O)C(=O)Nc1ccc(Cl)cn1 9340288 KYOCKKIICWOPIF-UHFFFAOYSA-N 312.801 1.522 0 40 DDAB O=C(NCCOc1cccc(Cl)c1Cl)c1nc[nH]n1 4602509 GEUMDZVUPSRWBB-UHFFFAOYSA-N 301.133 1.920 0 40 DDAB Cc1cc2nc(SCC(N)=O)n(Cc3ccco3)c(=O)c2[nH]1 67239472 NMWAWVSNBNSERC-UHFFFAOYSA-N 318.358 1.252 0 40 DDAB COc1ccc(Br)c(/C=C2\NC(=S)NC2=O)c1 15800490 NTRBGLJISIAMBB-UITAMQMPSA-N 313.176 1.803 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1 8097366 BXKDZPKPFVASNU-GFCCVEGCSA-N 300.362 1.517 0 40 DDAB CN(C)C[C@H]1CN(C[C@H](O)c2ccc(F)cc2F)CCO1 71877056 IXZMVAPZLZASIX-WFASDCNBSA-N 300.349 1.261 0 40 DDAB COCc1cc(CC2(NCc3ccc(OC)cc3)COC2)no1 67897948 XIOZAOIGZZVVLA-UHFFFAOYSA-N 318.373 1.931 0 40 DDAB biogenic,in-vitro Cn1cc([C@H]2C[C@@H]2C(=O)OCc2cnn(-c3ccccc3)n2)cn1 70018965 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COc1cc(C(=O)NCCNC(C)=O)ccc1OCC(C)C 9835311 LLTKNEIFCPTHDW-UHFFFAOYSA-N 308.378 1.596 0 40 DDAB CN1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H](CN)C1 97228979 DYUHCBCCPCDLSB-LBPRGKRZSA-N 315.339 1.349 0 40 DDAB O=C(NCC(=O)N1CCC(c2ccccc2)CC1)c1cnccn1 72405056 SPVWKGLBNALKAS-UHFFFAOYSA-N 324.384 1.613 0 40 DDAB O=C(NCc1ncc[nH]1)[C@@H]1COc2ccc(Br)cc21 95442876 FXJMTQYEYZFMOV-SNVBAGLBSA-N 322.162 1.965 0 40 DDAB CCc1sc([C@H](C)NC(=O)CNS(C)(=O)=O)cc1C 95435407 REOWSORLWPJYJL-VIFPVBQESA-N 304.437 1.345 0 40 DDAB Cn1cccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 73396677 ZSDYGNONGQXYSE-UHFFFAOYSA-N 303.406 1.890 0 40 DDAB O=C(C[C@H]1CCCO1)N1CC(n2cc(-c3ccccc3)nn2)C1 95998006 USQMVZLDZOURDX-OAHLLOKOSA-N 312.373 1.898 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C[C@H](C)C(=O)O)C1CC1 95991920 HIIRNFZLSNIQAO-UWVGGRQHSA-N 307.394 1.852 0 40 DDAB CCCNC(=O)C1(NC(=O)c2nccnc2N)CCCCC1 95959763 VGMWKOHYLDYGMW-UHFFFAOYSA-N 305.382 1.018 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)CCn1cncn1)CC2 89429440 DMROYUTUIWLYCW-UHFFFAOYSA-N 316.361 1.270 0 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C[C@@H](CNC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1cccs1 96421629 OEXBIEDQKLUBNY-XHDPSFHLSA-N 322.434 1.792 0 40 DDAB O=C(CCNc1ncccn1)Nc1cccc(-c2nc[nH]n2)c1 95478212 NIFDSOMOQXQVCQ-UHFFFAOYSA-N 309.333 1.702 0 40 DDAB CN(C)C(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3cnn(C)c3)C2)C1 96241245 PIALDQWYQDQAQP-GOEBONIOSA-N 323.416 1.338 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216874 IGJFBFKODFKLSC-KRWDZBQOSA-N 324.388 1.399 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)no1 96070480 JNGVHTXBUUYUQE-LEWSCRJBSA-N 300.318 1.375 0 40 DDAB O=C(c1ccc[nH]1)N1CCCn2nnc(COCC3CC3)c2C1 96084358 NURYSYHCJUMGKL-UHFFFAOYSA-N 315.377 1.579 0 40 DDAB CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1cn(C(C)C)cn1 97097295 KRPWIURSZNIXHU-GFCCVEGCSA-N 313.423 1.986 0 40 DDAB c1cc(CN2CCC[C@H]2CN2CCOCC2)c2c(c1)OCO2 92218017 XOFYBNFDSFXVQR-HNNXBMFYSA-N 304.390 1.712 0 40 DDAB Cc1cccn2cc(CCNS(=O)(=O)c3cccnc3)nc12 96446661 YOUWNYFCEUQGPQ-UHFFFAOYSA-N 316.386 1.559 0 40 DDAB CC[C@@H](C(=O)NC[C@@H](O)c1ccccc1F)N1CCCC1=O 96445849 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CCc1nnsc1C(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257220601 DLIYZPSMVVGLEW-IJLUTSLNSA-N 321.406 1.100 0 40 DDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)c2cnco2)n1 257261467 LHKOFMTWMTVUCK-NSHDSACASA-N 317.349 1.053 0 40 DDAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)n1 257316680 VGNVRNKRSOAFRW-LBPRGKRZSA-N 312.377 1.252 0 40 DDAB CN(C(=O)COc1ccccc1C(C)(C)C)[C@@H]1CC[C@@H](O)[C@@H]1O 257307677 SZTZFPODFULILM-CKEIUWERSA-N 321.417 1.706 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)C1CCCCC1 257262216 LKPXWUPRBSAGQA-KRWDZBQOSA-N 316.405 1.621 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2cncs2)n1 257340988 ZIJRFWXFUOQCFV-OAHLLOKOSA-N 317.418 1.906 0 40 DDAB CCN(Cc1cccnc1)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257235165 GWSHINGKKWXNIK-MRXNPFEDSA-N 314.393 1.252 0 40 DDAB CC(=O)N1[C@H]2CCN(Cc3ccc(F)cn3)C[C@@H]2C[C@]1(C)CO 257293839 QRKDIEDCXNSJTE-RRQGHBQHSA-N 321.396 1.414 0 40 DDAB COCCN1CCC(NC(=O)COc2ccccc2OC)CC1 85467958 YWMDBDVFLBAZMA-UHFFFAOYSA-N 322.405 1.301 0 40 DDAB NC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nnnn1C1CC1 272939744 NICBIDYMUJDZDH-LLVKDONJSA-N 307.354 1.336 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccccc1 630446712 UVHJMQBOZGHSMA-MNOVXSKESA-N 319.329 1.777 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2ccc(F)cc2)on1 585267162 CDKXSGDACSDPLJ-UXIGCNINSA-N 320.320 1.485 0 40 DDAB CNC(=O)c1ccc(C(=O)N[C@@](C)(COC)C(F)(F)F)cn1 72303359 CQBVEWWAOQOFHN-LBPRGKRZSA-N 319.283 1.138 0 40 DDAB Cc1cc(OC[C@@H]2CCCN(CCn3nccn3)C2)ccn1 1776000716 HEGBTHLEYRZBOU-OAHLLOKOSA-N 301.394 1.773 0 40 DDAB CCOc1cccc2c1OCC(C(=O)NCCn1ccnc1)=C2 46784135 NQNOAUNZGCEBFX-UHFFFAOYSA-N 313.357 1.874 0 40 DDAB CN(C)c1nc(N)nc(CSc2nnc(C(C)(C)C)o2)n1 48356481 IJBPMOMCQCYEPX-UHFFFAOYSA-N 309.399 1.493 0 40 DDAB COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C 57958019 UHRFLXQNLMRWDZ-QGZVFWFLSA-N 316.357 1.795 0 40 DDAB O=C1CN(C(=O)Cc2ccc(F)c(Br)c2)CCN1 54146798 LJXHTTPCXOZYNC-UHFFFAOYSA-N 315.142 1.089 0 40 DDAB CCO[C@@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 60377972 QDFXWUPKXLDYKD-LLVKDONJSA-N 319.409 1.880 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1(C)C 73273307 LANOGISHGADEBC-KANYHAFZSA-N 308.378 1.718 0 40 DDAB CCN(CC)C(=O)CCNC(=O)CN(C)Cc1ccccc1 58278806 MXFKAZANLRESQJ-UHFFFAOYSA-N 305.422 1.493 0 40 DDAB CCCn1nnnc1CN1CCC[C@H]1c1noc(C2CC2)n1 76047636 ZIVMNIJUNZSKNJ-NSHDSACASA-N 303.370 1.681 0 40 DDAB Cn1cc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cn1 58833946 YBDBSABZCAODIW-UHFFFAOYSA-N 315.373 1.785 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nc(C)no2)C1 56131064 XKWVKBYSENDGSY-STQMWFEESA-N 306.366 1.095 0 40 DDAB Cc1ncnc(OCC2CCN(C(=O)[C@H]3CCOC3)CC2)c1C 1565520670 CQQBWKJFIOLNCH-HNNXBMFYSA-N 319.405 1.747 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 57289941 DXHLBAZPKHITCB-NSHDSACASA-N 324.812 1.306 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1 93530505 BTKAZIBEHGHFEV-IUODEOHRSA-N 314.389 1.985 0 40 DDAB Cc1ccccc1C[C@]1(CO)CN(Cc2cn(C)cn2)CCO1 1615143049 XLHWAXDJCHHBHN-GOSISDBHSA-N 315.417 1.535 0 40 DDAB Cn1ncc2c1CCCN(C(=O)COc1cccc(F)c1)C2 19289638 REUJHUIFNVEYNY-UHFFFAOYSA-N 303.337 1.913 0 40 DDAB COc1ccc(O[C@@H]2CCN(C(=O)NC3CCCC3)C2)nn1 225440902 SYGOHKRRONNTKR-GFCCVEGCSA-N 306.366 1.591 0 40 DDAB CN(C)c1cc(CNC(=O)[C@@H]2C(=O)NC[C@H]2C(C)(C)C)ccn1 585149763 MWBOMAKOIMBVTF-TZMCWYRMSA-N 318.421 1.172 0 40 DDAB COc1nn(C)cc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390827190 FLZTXONYJOEGNR-LBPRGKRZSA-N 319.365 1.447 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2cnc(C)cn2)CC1 3612205 ZJMIETKSADZMOZ-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)N(C)Cc2ccccc2)c1 22190520 KCUQPIGCPUVKJW-UHFFFAOYSA-N 314.341 1.294 0 40 DDAB CCOCCC(=O)N1C[C@@H]2OCCN(c3ccnc(C)c3)[C@H]2C1 2056225004 QTWNNLBDCNOEFB-HOTGVXAUSA-N 319.405 1.233 0 40 DDAB Cc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)o1 1565554825 GOEZWHQQHPDKER-UMVBOHGHSA-N 318.373 1.440 0 40 DDAB Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc2c(c1)OCO2 4376050 SFEVXYDTOUQFGQ-UHFFFAOYSA-N 323.308 1.984 0 40 DDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)cc1 4941442 HUGOQDLFNYQNPM-ZDUSSCGKSA-N 322.336 1.566 0 40 DDAB COC(=O)CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1 12361130 RMZRFGCDKWYCDU-UHFFFAOYSA-N 320.779 1.716 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(C)o2)C1 2055771923 JNGGUXBTNWWTHG-MRXNPFEDSA-N 316.361 1.162 0 40 DDAB Cn1ccc(-c2nnc(NC(=O)c3cnc4ccccc4n3)o2)n1 38551546 NZAYZFPEDZPSCB-UHFFFAOYSA-N 321.300 1.666 0 40 DDAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](CF)C3)ccc2N1 2298043488 SNWROFXVGQUJLA-SNVBAGLBSA-N 312.366 1.551 0 40 DDAB COc1ccc(C(=O)N(CC(=O)O)n2c(C)ccc2C)cc1 34776642 OBLDVRAUSVRNRM-UHFFFAOYSA-N 302.330 1.977 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)c1cc(Cl)nc(N)n1 40067160 LQAWTFOGYLOTMQ-VIFPVBQESA-N 306.753 1.988 0 40 DDAB COc1ncccc1CNC(=O)c1ccccc1S(C)(=O)=O 30304935 NXEABKGIYXWBJH-UHFFFAOYSA-N 320.370 1.424 0 40 DDAB NC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40554298 QGSHYBMIJIHPLW-UONOGXRCSA-N 324.402 1.118 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCCC2)no1 40528870 USLXAIOMWWGFFD-LLVKDONJSA-N 314.407 1.735 0 40 DDAB C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cc(F)ccc1F 40522837 YSWJFVDZCATCNJ-MRVPVSSYSA-N 306.334 1.081 0 40 DDAB Cc1csc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 101514563 BMOLVJJHBPDKCU-NXEZZACHSA-N 305.359 1.341 0 40 DDAB O=C1O[C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)Cc2ccccc21 32006853 CDWYAVUUJOYRSO-YOEHRIQHSA-N 323.348 1.888 0 40 DDAB CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2cccnc2)CC1 32207715 BPOIUEVXBMSRFA-AWEZNQCLSA-N 307.394 1.668 0 40 DDAB in-vitro C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(O)CC1 22011132 OMYYXEZSAKLSNE-NSHDSACASA-N 314.393 1.715 0 40 DDAB O=C1C[C@H](C(=O)NCCCn2cncn2)c2ccc(F)cc2N1 41863051 FKXHJQCKQCEQRU-LBPRGKRZSA-N 317.324 1.050 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 22685230 CYZUBPGVFKPASD-XJKSGUPXSA-N 303.406 1.464 0 40 DDAB CCOC(=O)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 302734 FGOCCJYPIFEMJD-LLVKDONJSA-N 303.240 1.899 0 40 DDAB Cc1cc(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)on1 70843479 GDNDPCZDJBUCMK-KRWDZBQOSA-N 311.341 1.963 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)C1CC1 71805613 HJLZVMGJCFSNJZ-LBPRGKRZSA-N 302.330 1.755 0 40 DDAB FC(F)(F)c1cc(N2CCNCC2)nc(-c2ccccn2)n1 22995859 VMCUYCIJWYELCA-UHFFFAOYSA-N 309.295 1.967 0 40 DDAB CCN1C[C@@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CC1=O 71865227 MXOQQKVJARBCKH-KBPBESRZSA-N 304.394 1.133 0 40 DDAB Cc1cccn2cc(CCNS(=O)(=O)Cc3ccon3)nc12 78985507 BKZDZVBWKGUKNG-UHFFFAOYSA-N 320.374 1.293 0 40 DDAB O=C1NC(=O)[C@]2(C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)N1 1665213 ACFQAMIVTKFUQT-RTBURBONSA-N 320.348 1.940 0 40 DDAB CCn1ncc(/C=C/C(=O)Nc2cn(C)nc2C(=O)O)c1C 2806454 KXLMHVMGDPDHNZ-AATRIKPKSA-N 303.322 1.295 0 40 DDAB Cc1nc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cs1 71841508 LRSDAODMEDBAGO-LLVKDONJSA-N 321.377 1.665 0 40 DDAB O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)N1CCCC1 6970922 AIMKZJVFCXWADO-XYOKQWHBSA-N 317.370 1.740 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C)c2nncn2C)cc1OC 42998228 GRWQGWVZZRJUJA-SNVBAGLBSA-N 319.365 1.393 0 40 DDAB CCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 7723440 FVYUSEVWYGJNFR-UHFFFAOYSA-N 300.380 1.684 0 40 DDAB Cc1cccc(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 106517103 MMXSFXBEUQKGLS-HOCLYGCPSA-N 304.390 1.353 0 40 DDAB Cc1nc(C)c(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 106748237 KWFPQWQDXMKDKW-HYNSBDGHSA-N 303.406 1.870 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NCCc2ccccn2)cc1 43419502 YQBDZGMOKCGJAG-UHFFFAOYSA-N 319.386 1.849 0 40 DDAB COc1c([C@@H]2CCCN2CC(=O)N[C@H](C)C2CC2)c(C)nn1C 106908824 FSKNXWIOBNHRKD-RISCZKNCSA-N 320.437 1.789 0 40 DDAB NC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccnc4)nc3c2)C1 57327022 CAWTVFNWTCVYCB-LLVKDONJSA-N 322.324 1.728 0 40 DDAB O=C(O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1795952 YMRXWPCWJDWPCO-UHFFFAOYSA-N 311.281 1.849 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)no1 35989377 IDEQQTGVYIAXOI-ZDUSSCGKSA-N 303.318 1.497 0 40 DDAB CCOC(=O)[C@@](O)(c1ccc(N(C)C(C)=O)cc1)C(F)(F)F 2067016 VROVDFRZAZCLKT-ZDUSSCGKSA-N 319.279 1.982 0 40 DDAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(C(N)=O)cc1 84714841 HASIHAPNYOEQJH-LRDDRELGSA-N 315.417 1.522 0 40 DDAB CCN(C)C[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 84760842 PCKBUIFMBZSZDJ-NSHDSACASA-N 322.384 1.730 0 40 DDAB 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309.391 1.070 0 40 DDAB Cn1ncc2c(=O)n(Cc3cc(-c4cccs4)on3)cnc21 10678841 DVUHMBCDBSEULN-UHFFFAOYSA-N 313.342 1.895 0 40 DDAB C[C@H]1CCc2c(F)cccc2[C@H]1NCCCNS(C)(=O)=O 95419594 LCTVEPCDTZVMHZ-NHYWBVRUSA-N 314.426 1.978 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1F 11411862 BOMAKTUMTFYJCL-SSDOTTSWSA-N 317.158 1.843 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 100664153 MFXRVNBWYHSTOY-BXLXJSPXSA-N 309.321 1.942 0 40 DDAB C[C@@H](CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)N(C)C 46273037 YHBDIKNSVMQLNE-NSHDSACASA-N 320.368 1.875 0 40 DDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 3415139 CDSKDAMRXCGYPQ-JTQLQIEISA-N 315.329 1.995 0 40 DDAB Cc1cc(CC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)n[nH]1 95416022 IQOGYCGTZVHGFL-LBPRGKRZSA-N 310.361 1.719 0 40 DDAB O=C(N[C@H]1COc2ccccc2C1=O)c1cccc2cn[nH]c12 95463112 UGLPXRLZYUFBLT-ZDUSSCGKSA-N 307.309 1.937 0 40 DDAB CCN(CC)Cc1ccccc1CNc1ccc2nnnn2n1 9113884 CQNRCXYKACVEEZ-UHFFFAOYSA-N 311.393 1.973 0 40 DDAB 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47910909 PLQFCXLBNRFWSA-UHFFFAOYSA-N 312.372 1.901 0 40 DDAB CC(C)c1nsc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 80767349 KBVPEOKKIIWPRL-GFCCVEGCSA-N 324.450 1.737 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccoc2)cc1C 57008688 GZZOHVIXBGYGCQ-UHFFFAOYSA-N 322.386 1.605 0 40 DDAB CS(=O)(=O)NCCC(=O)Nc1ccc(-c2ccccc2)cn1 60398914 KUYZJWMAZFIRPL-UHFFFAOYSA-N 319.386 1.626 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)c1 97163875 SLTNPGFKEQQYRU-CQSZACIVSA-N 323.418 1.346 0 40 DDAB C[C@@H]1Oc2c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cccc2[C@@H]1C 106746378 HWGCIBBOZUSIQC-GDLVEWKHSA-N 323.414 1.878 0 40 DDAB Cc1nc(CC2CC2)oc1C(=O)NC[C@]1(O)CN2CCC1CC2 552208210 GRLDCVAQWNSLDO-KRWDZBQOSA-N 319.405 1.122 0 40 DDAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc2c(c1)OCCO2 5045208 SSXZEZYUWSPWPE-UHFFFAOYSA-N 319.342 1.272 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1CCC(O)(c2cccnc2)CC1 12222013 DXXJVHLLUCSGMM-HNNXBMFYSA-N 317.433 1.766 0 40 DDAB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1 16437399 AONKGDSTQIZXLY-CEFACKQISA-N 301.302 1.797 0 40 DDAB COc1ccccc1CCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 17054216 HUFBTXFPSGZORT-QPSCCSFWSA-N 317.341 1.008 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)N(CCO)C3CC3)c2)n1 162022897 LHRAWZVFYFMLDC-UHFFFAOYSA-N 301.350 1.471 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1ccco1 30847448 XRSBKOCTOJHEDU-MNOVXSKESA-N 310.350 1.102 0 40 DDAB NC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1 2653359 VLEWYEKWGAWDLK-UHFFFAOYSA-N 314.297 1.831 0 40 DDAB O=C(c1cc(C2CC2)ncn1)N1CCN(c2ncccn2)CC1 1888843884 TYLAJZDLGMKDML-UHFFFAOYSA-N 310.361 1.106 0 40 DDAB CCc1nnc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)s1 24928622 MWQYHBAOJSOTPK-SNVBAGLBSA-N 318.358 1.829 0 40 DDAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1 32925044 SXMCUFOTASCHOH-UHFFFAOYSA-N 300.380 1.214 0 40 DDAB O=C(c1cc[nH]n1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037913158 WKPHXCMPRGLBJK-KRWDZBQOSA-N 315.373 1.846 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 1565551219 BHDWHVFJNNHDGG-BLLLJJGKSA-N 320.414 1.740 0 40 DDAB O=C(NCc1cnc2n1CCN(C(=O)C1CC1)CC2)C1CCC1 2055772199 HEXCIIXYUDXELV-UHFFFAOYSA-N 316.405 1.094 0 40 DDAB Cn1cc(C(=O)O)c2nc(O)n(-c3ccc(Cl)cc3)c(=O)c21 26422062 HYUAXJCXILUGBV-UHFFFAOYSA-N 319.704 1.781 0 40 DDAB c1nc(N2CCN(c3ccc(C4CC4)nn3)CC2)c2nc[nH]c2n1 575619913 NDTOSGOYBBBHOM-UHFFFAOYSA-N 322.376 1.347 0 40 DDAB COc1ncc(NS(=O)(=O)c2ccc(C)cc2)c(OC)n1 585437387 WYMFOXSTWTUQGN-UHFFFAOYSA-N 309.347 1.603 0 40 DDAB CCOc1nn(CC)cc1C(=O)Nc1ccc(C(N)=O)cc1 9070599 KLMCERQADLZTAZ-UHFFFAOYSA-N 302.334 1.653 0 40 DDAB COc1cccc2cc(C(=O)N3CCC(C(N)=O)CC3)oc12 13730432 QKXJIJPRDYVSCO-UHFFFAOYSA-N 302.330 1.779 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 100846462 UFTQIECOROIOFO-IATRGZMQSA-N 303.314 1.125 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cnn(C)c2)C1 40539653 HLJAHBMIVCIBEZ-BETUJISGSA-N 314.455 1.066 0 40 DDAB COCc1ccc(CNC(=O)[C@@H](C)Sc2ncn[nH]2)cc1 40555308 NOVQHHBDRTUPJD-SNVBAGLBSA-N 306.391 1.748 0 40 DDAB COCc1cn(CC2CCN(Cc3nc(C)c[nH]3)CC2)nn1 20599488 LORXXCMEOLMUTJ-UHFFFAOYSA-N 304.398 1.368 0 40 DDAB COc1cc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc(OC)c1 32873670 BSMNVFDNDUOAEQ-SNAWJCMRSA-N 318.373 1.408 0 40 DDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)NC(C)(C)C1=O 268781 JGFFANADSULXBK-GFCCVEGCSA-N 306.362 1.374 0 40 DDAB COc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O 854534 KPDIELDEQWIYKQ-KBXCAEBGSA-N 309.321 1.890 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)C2CCCC2)o1 78796570 GHVLQFREGJSILV-UHFFFAOYSA-N 321.420 1.387 0 40 DDAB CC(C)(C)NCCNC(=O)c1c[nH]c(=O)c(Br)c1 78939605 RREUUWZGAQNZNL-UHFFFAOYSA-N 316.199 1.255 0 40 DDAB CN1CCN(CCCCNC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 79023114 IKWKFQTULMUMOC-IAGOWNOFSA-N 322.497 1.846 0 40 DDAB CCNc1snc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 1866001 MWGSAYPAFJYDFO-UHFFFAOYSA-N 302.359 1.626 0 40 DDAB COc1ccc(C(=O)OCCNC(=O)c2ccncc2)cc1 2679759 AEULQUMZXPYMPT-UHFFFAOYSA-N 300.314 1.677 0 40 DDAB C[C@H](OC(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104805878 DZLPMUVEVFFGOG-ZJQBRPOHSA-N 307.394 1.906 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 4043332 QYMZHOGQALMWHM-XJIUQZFPSA-N 315.325 1.155 0 40 DDAB biogenic CC1CCN(C(=O)CN2CCN(c3nccs3)CC2)CC1 54620963 VCXNEIGUJTYGOZ-UHFFFAOYSA-N 308.451 1.524 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc2c(c1)OCC(=O)N2 24804548 WIMXAYMLPLUPJS-JTQLQIEISA-N 300.318 1.033 0 40 DDAB C[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)cc2F)C[C@@H]1C 106840965 BXDTVMQZUVFUQJ-MKBNYLNASA-N 314.376 1.385 0 40 DDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccco1 8341868 MNOXPNSNHURWIJ-UHFFFAOYSA-N 301.281 1.389 0 40 DDAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 1444347 AAWWSYXOHZXCPU-NFAWXSAZSA-N 302.355 1.987 0 40 DDAB O=S(=O)(Cc1ccc(F)cc1)NC1CCN(C2CC2)CC1 25372229 UPYHDKOHUHLKPN-UHFFFAOYSA-N 312.410 1.872 0 40 DDAB Cc1noc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)n1 25447756 ARYIIKQNWDNLMX-LLVKDONJSA-N 303.274 1.211 0 40 DDAB CCc1ncncc1C(=O)N1CCN(Cc2cscn2)CC1 56250158 JTYNVWPITJVPAT-UHFFFAOYSA-N 317.418 1.454 0 40 DDAB CNC(=O)c1cccc(CNC(=O)c2c(C)nsc2NC)c1 25627966 AEDXQYIVSAZYSU-UHFFFAOYSA-N 318.402 1.783 0 40 DDAB C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CC1 25772417 JPKMDSAQIALPBU-MEBBXXQBSA-N 314.389 1.662 0 40 DDAB c1ccc(-n2nnc3c(N4CC(n5cccn5)C4)ncnc32)cc1 72276590 LYXAQXRVTBMGCO-UHFFFAOYSA-N 318.344 1.468 0 40 DDAB O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccn2cncc2c1 95446917 GJKMBAKKZPYBFM-GDBMZVCRSA-N 314.389 1.317 0 40 DDAB Cn1c(SCC(=O)O)nnc1-c1ccc2c(c1)OCCCO2 35511639 NISKOHAALLEQKS-UHFFFAOYSA-N 321.358 1.820 0 40 DDAB O=S(=O)(NC[C@H]1CCCCN1)c1ccc(F)c(F)c1F 44492504 BMBYYRFOOWXTAB-MRVPVSSYSA-N 308.325 1.524 0 40 DDAB O=C(CCOc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269035 MERQITYOLBEDKD-DLBZAZTESA-N 318.417 1.513 0 40 DDAB CCCN(CC(F)F)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 58282848 RKTMGANUGVJCAB-UHFFFAOYSA-N 320.361 1.760 0 40 DDAB CN1CCCC[C@@H]1CCn1nnc(-c2ccc(C(N)=O)cc2)n1 58292392 KEMFYCOICIREAN-CQSZACIVSA-N 314.393 1.313 0 40 DDAB Cc1nnc([C@H](C)N2CCC(c3ccnn3CCO)CC2)o1 58291729 QIEJYFNTCLKNDU-NSHDSACASA-N 305.382 1.507 0 40 DDAB CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)COc1ccccc1)CCO2 107720460 LDIQMNMBJUQASU-INMHGKMJSA-N 305.374 1.860 0 40 DDAB C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCO1 27883719 UHGBWQJZNUIKCN-SWLSCSKDSA-N 315.373 1.470 0 40 DDAB COC(=O)c1cc(OC)ccc1NCC(=O)Nc1cc(C)no1 58441128 KYYMDYPIAUKGMJ-UHFFFAOYSA-N 319.317 1.829 0 40 DDAB CCc1noc(CS(=O)(=O)Cc2ccc(OC)c(F)c2)n1 36391663 VHFFHSJNVJBXDA-UHFFFAOYSA-N 314.338 1.895 0 40 DDAB CCCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N 2373578 DWHLYEPAXVJKNO-UHFFFAOYSA-N 301.375 1.798 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 48386802 KDKBRVMORWMKEJ-OKILXGFUSA-N 306.362 1.175 0 40 DDAB O=C(CN1CCSC1=O)Nc1ccc(N2CCOCC2)nc1 28959162 AOASJOKHCKXFFL-UHFFFAOYSA-N 322.390 1.026 0 40 DDAB O=C(CNc1ccc(Br)cc1F)N1CCNC1=O 11725024 BRAJQPQAJLNAFF-UHFFFAOYSA-N 316.130 1.552 0 40 DDAB CC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C)cc1 12860510 KVGXKVMQVILOEU-ZDUSSCGKSA-N 301.346 1.113 0 40 DDAB O=C(COC(=O)C1(O)CCCC1)N1CCO[C@H]2CCCC[C@H]21 84544022 YNTPGYVOUCZHRB-OLZOCXBDSA-N 311.378 1.005 0 40 DDAB NC(=O)C[C@H](NC(=O)c1cccc2c1OCO2)C1CCCCC1 82978683 PEONCWWBYQIPDT-ZDUSSCGKSA-N 318.373 1.969 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl 71287556 CFFJYCVUTYAVPH-VHSXEESVSA-N 310.737 1.734 0 40 DDAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 13006335 HSQHMKHIMNOWRB-SNVBAGLBSA-N 321.320 1.756 0 40 DDAB CC1CCN(S(=O)(=O)NCCN2CCCC[C@H]2C)CC1 48905382 NVSXFQWEXVZMHC-CQSZACIVSA-N 303.472 1.427 0 40 DDAB C[C@@H]1C[C@H](N2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C(=O)O1 13163302 SIHLDCYFNGFWGP-RCAYSMOQSA-N 300.314 1.084 0 40 DDAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 13253521 SKESNPVHHXTKDA-ZIAGYGMSSA-N 316.357 1.994 0 40 DDAB O=C(CS(=O)(=O)c1ccc(O)cc1)N1CCCCCCC1 63927625 PFQVOWCDRZDPCA-UHFFFAOYSA-N 311.403 1.959 0 40 DDAB CCC(=O)NCC(=O)NCc1csc(Br)c1 49475827 XFMRTTFOIMYOGJ-UHFFFAOYSA-N 305.197 1.653 0 40 DDAB C[C@H]1COCCN1C(=O)Cc1csc(Cc2ccccn2)n1 49676624 AHHGXADLGLMWQH-LBPRGKRZSA-N 317.414 1.919 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccnc(Cl)c1 13689936 WWZDRDLHFHYGLN-UHFFFAOYSA-N 307.741 1.077 0 40 DDAB CCc1ccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)o1 65465765 KKEUWHSJJBYKQH-UHFFFAOYSA-N 316.361 1.603 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 65458539 IWPVGMQGCFIMJO-HBNTYKKESA-N 309.414 1.646 0 40 DDAB C[C@@H](NC(=O)NCCCn1cccn1)C(=O)N1CCCC[C@H]1C 65539562 BTASUEVKWPXNQI-ZIAGYGMSSA-N 321.425 1.362 0 40 DDAB CCn1c([C@@H](CO)NC(=O)c2ccc(OC)cc2)n[nH]c1=S 4520753 ZDDMSQUDEHCEGV-LLVKDONJSA-N 322.390 1.433 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O 66083109 HROHRYXTHWXHAS-MRXNPFEDSA-N 317.320 1.831 0 40 DDAB O=C(CN1CCN(c2ccccc2O)CC1)NCC1CCC1 66472085 QIRHBVQHSIDDCL-UHFFFAOYSA-N 303.406 1.431 0 40 DDAB CCCCn1nnnc1Cn1cnc2ccc(Cl)cc2c1=O 6847856 AOONCCGLMRRASJ-UHFFFAOYSA-N 318.768 1.885 0 40 DDAB CNC(=O)c1ccc(=O)n(Cc2ncc(C)c(OC)c2C)c1 95398747 VAJVJZKQGFBLFN-UHFFFAOYSA-N 301.346 1.277 0 40 DDAB COc1ccc2c(c1)C[C@@H](NCC1CCS(=O)(=O)CC1)CC2 90882871 MAXYRGUSIAFZQX-INIZCTEOSA-N 323.458 1.967 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1CCc2[nH]ncc2C1 84489907 PMVOMDVFHRDXGT-NSHDSACASA-N 314.345 1.860 0 40 DDAB CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1Cn1cccn1 71866695 GMHAGWPICYVFNK-OLZOCXBDSA-N 307.398 1.101 0 40 DDAB O[C@@H]1CCN(Cc2ccc(I)cc2)C1 83851341 NEICZYYOXGDFAI-LLVKDONJSA-N 303.143 1.858 0 40 DDAB Cc1ccc(CNC(=O)c2sccc2-n2cnnn2)n1C 71903712 PBXKZMRCWXLVBK-UHFFFAOYSA-N 302.363 1.301 0 40 DDAB Cc1nnc2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cn12 69393839 JPAFMEQMLPLKBP-UHFFFAOYSA-N 320.316 1.266 0 40 DDAB COCC[C@@H](C)NC(=O)NCCS(=O)(=O)c1ccccc1 69421376 DFMGTRYXMCPRND-GFCCVEGCSA-N 314.407 1.185 0 40 DDAB CCOC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1cccs1 69585816 YWNAJFQAQNYKKG-GFCCVEGCSA-N 310.419 1.907 0 40 DDAB CN1C(=O)C2(CCN(c3nccc(N)n3)CC2)c2ccccc21 72150853 ILECFNGNXCWVPT-UHFFFAOYSA-N 309.373 1.573 0 40 DDAB CCC(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 28557501 KFPGVVUSGOUYDZ-UHFFFAOYSA-N 302.382 1.039 0 40 DDAB Cc1cc(C(=O)NCCNC(=O)c2ccn[nH]2)c(C)n1C1CC1 97079916 FXEOLRGFPOSKMZ-UHFFFAOYSA-N 315.377 1.323 0 40 DDAB Cc1ccc2[nH]nc(C(=O)N3CC[S@](=O)C(C)(C)C3)c2c1 88292543 MWDKLUMZWICWAH-OAQYLSRUSA-N 305.403 1.854 0 40 DDAB C[C@@H](C(=O)NCC(=O)NCc1ccncc1)N1CCCCCC1 95962348 WLCKSVYWBQXQCT-AWEZNQCLSA-N 318.421 1.079 0 40 DDAB O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccoc1 89793168 NJPCTZWVGLCBOE-UHFFFAOYSA-N 321.358 1.477 0 40 DDAB Cc1ccccc1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 76061879 IKCOIKLOJXAUEJ-KBPBESRZSA-N 312.435 1.781 0 40 DDAB O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1cccnc1 36358417 YYAZQGBVCKELRM-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB Cc1csc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c1 556702498 WPALSNCAKGVSTE-NXEZZACHSA-N 319.404 1.215 0 40 DDAB CCS(=O)(=O)[C@H]1CC[C@](CN)(NC(=O)OC(C)(C)C)C1 217948342 DHSJUDWNALRYAX-GWCFXTLKSA-N 306.428 1.196 0 40 DDAB COC(=O)c1cn(Nc2ccc(OC)cc2)cc2c(O)nnc1-2 524735473 DTGNJDDJHXVJBG-UHFFFAOYSA-N 314.301 1.759 0 40 DDAB NC(=O)c1nnn(-c2cccc(NC(=O)c3ccccc3)c2)c1N 33436010 KYRQPATZCYEZKB-UHFFFAOYSA-N 322.328 1.201 0 40 DDAB Cn1ccc(-c2nc(CC(=O)NC3CCCCC3)no2)cc1=O 78773410 KGYOJBRDAWLHMK-UHFFFAOYSA-N 316.361 1.427 0 40 DDAB CCn1nc(C)c2c1cnn2CCNC(=O)c1cc(C)on1 72240933 QRGOAKUDBBBBCM-UHFFFAOYSA-N 302.338 1.288 0 40 DDAB CCNC(=O)CCS(=O)(=O)c1nccn1-c1cccc(C)c1 78441967 JLAWAFYBKIMXDC-UHFFFAOYSA-N 321.402 1.481 0 40 DDAB O=C(c1ccnc(C2CCNCC2)c1)N1CCC[C@@H](CO)C1 72365680 VEVYKKWNDZKJPV-CYBMUJFWSA-N 303.406 1.393 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(C)cc1 218379506 AOGFQQUSRAZWPE-KCQAQPDRSA-N 311.403 1.156 0 40 DDAB CCOC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(C)c2)C1=O 82238059 OUUYOGUFJXNDIZ-MRXNPFEDSA-N 320.345 1.334 0 40 DDAB O=C(O)CCCCNC(=O)c1ccn(-c2ccccc2F)n1 195542042 UKBCPABLMLHMAE-UHFFFAOYSA-N 305.309 1.996 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n[nH]1 84111043 KLXVMLUACUVHID-ZDUSSCGKSA-N 316.409 1.876 0 40 DDAB COC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 225810615 QNLNOEQZDSLLHC-UHFFFAOYSA-N 310.354 1.637 0 40 DDAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccnc3)ccc21 225673372 SUYNJZNKQVFWDU-UHFFFAOYSA-N 321.383 1.796 0 40 DDAB CCOC(=O)[C@H](C)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 195529842 RHBZCJUYFHCDHW-KKUMJFAQSA-N 312.454 1.759 0 40 DDAB N[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 50242134 UHIZHKKHVBXLSM-QMMMGPOBSA-N 310.297 1.307 0 40 DDAB Cc1ccc(N2CC[C@H](N(C)CCS(C)(=O)=O)C2=O)cc1 96424184 JSOBTUNWQFQYEG-AWEZNQCLSA-N 310.419 1.077 0 40 DDAB OC1(C(F)(F)F)CCN(Cc2cnc3cnccn23)CC1 97095431 NZCUIEBAOGVXTA-UHFFFAOYSA-N 300.284 1.619 0 40 DDAB CO[C@@](C)(CNC(=O)c1cn(C)nn1)c1cccc(Cl)c1 96392727 RSGBBYLROJJUQK-AWEZNQCLSA-N 308.769 1.760 0 40 DDAB CC(C)N1[C@H](CN(C)C)C[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]21 96185562 ZIUCWUMGYMFSGV-KBMXLJTQSA-N 321.444 1.855 0 40 DDAB CN(C)C(=O)CN1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 96224584 KZEYENFRGHVXKB-INIZCTEOSA-N 321.446 1.655 0 40 DDAB COCCN1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1=O 96223979 ZGZMPKLMRXGKHE-QGZVFWFLSA-N 303.406 1.543 0 40 DDAB Cn1cc(CN2CC3(C2)OCC[C@H]3COc2ccccn2)cn1 248146488 RZPCIMDKZQIWBH-HNNXBMFYSA-N 314.389 1.485 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ccon2)C1 257322773 WHIMZFAOCFWUGX-NSHDSACASA-N 301.350 1.601 0 40 DDAB CN(C)C(=O)c1cnc([C@H]2CCCN2c2ncccn2)s1 257286243 PKVXUEDHRCDPKK-SNVBAGLBSA-N 303.391 1.976 0 40 DDAB O=C(CCc1cccc(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257245396 IPHMMWMLMAAGGJ-RDJZCZTQSA-N 307.365 1.901 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CC[C@](O)(CN(C)C)C1 257294216 QTCBBDXXOFXYNV-KRWDZBQOSA-N 306.406 1.071 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 257301945 SASCJQYDFDYMRR-AWEZNQCLSA-N 314.393 1.249 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n1 257263376 LPQBAKABVDMBGF-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCC1=O 257319777 VUACFODIZBDFGX-QDEZUTFSSA-N 305.422 1.130 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2Cc2csc(C)n2)n1 257268702 MMVKCHPNFWJUAE-CYBMUJFWSA-N 306.391 1.829 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85466974 KILQNEPKFRMLRT-MRXNPFEDSA-N 324.446 1.072 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3cncs3)CCO2)ncn1 257245718 IQUSFDDVSVOBCF-ZDUSSCGKSA-N 318.402 1.715 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1Cc1cccc(C(=O)O)c1 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COCCNC(=O)CSc1nccn1-c1cccc(F)c1 5263474 MZAXHKWJGDGCIG-UHFFFAOYSA-N 309.366 1.866 0 40 DDAB Cc1csc2nc3n(c(=O)c12)CCN(Cc1c[nH]cn1)CC3 12088366 VXAFGUOEBCFWHD-UHFFFAOYSA-N 315.402 1.548 0 40 DDAB CCN(CC)C(=O)Cn1nc(C)n2c(cc3oc(C)cc32)c1=O 12115484 SMIYYIKBGWSLAD-UHFFFAOYSA-N 316.361 1.727 0 40 DDAB O=C(Cn1nc(-c2ccncc2)oc1=O)N1CCCCCC1 12115886 UPTJECNQFCKUHV-UHFFFAOYSA-N 302.334 1.301 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccoc2)oc1=O 12154230 WHXOURAGJJRKCL-QWRGUYRKSA-N 305.334 1.886 0 40 DDAB CC(=O)NCCNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 14240716 FKTCRFNHTDYLIG-HNNXBMFYSA-N 319.405 1.002 0 40 DDAB CCNC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 18021889 HAOFDONVNNSIAL-ZPVISIIKSA-N 322.405 1.141 0 40 DDAB O=C(Cn1ccnc1)Nc1ccc(N2CCOCC2)c(F)c1 19293111 FROLMZOFNVFFMF-UHFFFAOYSA-N 304.325 1.498 0 40 DDAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 9721946 NZGXZMLTWAOIJJ-GFCCVEGCSA-N 313.405 1.874 0 40 DDAB CS(=O)(=O)c1cccc2sc(N3CCC[C@H](O)C3)nc12 1889098055 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Cc1cc(S(=O)(=O)N2CC[C@H](CN)C2)ccc1OC(C)C 50246442 LYGPCSRJTZLLOM-CYBMUJFWSA-N 312.435 1.752 0 40 DDAB CC(C)c1noc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1 40489662 LCYDNNQEDCYIKF-ZDUSSCGKSA-N 322.409 1.264 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(c2nc3nc[nH]c(=O)c3s2)C1 40478781 IDZGYGIZYKUOSV-SECBINFHSA-N 321.406 1.122 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccccn2)c1 31646471 UUYRKEGWPGKVEL-UHFFFAOYSA-N 321.402 1.322 0 40 DDAB COC(=O)[C@H](C)Sc1nncn1-c1cccc(NC(C)=O)c1 32778417 YSDYPVDTDDDDEE-VIFPVBQESA-N 320.374 1.879 0 40 DDAB O=C(Cc1csc(N2CCCC2=O)n1)NC[C@@H]1CCCO1 21836016 TVMIAPWNABJSNE-NSHDSACASA-N 309.391 1.108 0 40 DDAB CCOC(=O)N1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 52872517 LORBYCHLBZTQQK-KBPBESRZSA-N 311.426 1.550 0 40 DDAB CNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 22473923 ADKFVPQDSHFWCA-SNVBAGLBSA-N 309.439 1.830 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 71144914 FCWYWGKSXAWYRV-SECBINFHSA-N 306.790 1.709 0 40 DDAB C[C@H](CNC(=O)c1cc(F)cc2cccnc12)c1nnn[nH]1 97377537 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DDAB O=C(N[C@H]1CCN(c2ccccc2)C1)N[C@H]1CCCCNC1=O 106845781 LMBZOZUEURVWOM-ZFWWWQNUSA-N 316.405 1.233 0 40 DDAB O[C@H](CNC[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1 106906385 BKQWMDUSCIYHPQ-HZPDHXFCSA-N 316.380 1.908 0 40 DDAB CCOC(=O)C1CCN(c2ncnc3c(C)nn(CC)c23)CC1 57280111 QLQOZMJILMIUDS-UHFFFAOYSA-N 317.393 1.934 0 40 DDAB COCCN(CC(N)=O)CC(=O)Nc1ccc(C(C)(C)C)cc1 58157682 GMEUNGSGPKYNFH-UHFFFAOYSA-N 321.421 1.356 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(C[C@@H]2CCCCO2)CC1 35413656 RVTWEGMKNLITQD-HNNXBMFYSA-N 324.446 1.562 0 40 DDAB CO[C@@]1(C)C[C@H](N(C)S(=O)(=O)c2cn(C)c(C)n2)C1(C)C 108352252 ZQVGWIGPNLSWDR-FZMZJTMJSA-N 315.439 1.553 0 40 DDAB CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)NC(C)(C)C 9751143 XOBOKRVUDYVFTA-UHFFFAOYSA-N 314.411 1.320 0 40 DDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccnc1 27383625 WKHARDGJKHYUOO-NSHDSACASA-N 319.386 1.562 0 40 DDAB CCc1nc(CN(C)[C@H]2CCN(CCn3cccn3)C2)no1 95961634 SBMWQDJOFQENKM-ZDUSSCGKSA-N 304.398 1.035 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccn2)c2ccccc2O1 10025062 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DKPVEVGCQTZXSX-GXTWGEPZSA-N 318.425 1.720 0 40 DDAB COC[C@H](O)CN(C)C(=O)N[C@H]1CCSc2ccccc21 65440663 SABZFFWRBWZTCH-YPMHNXCESA-N 310.419 1.872 0 40 DDAB COc1ncnc2c1CN(CC(=O)Nc1nc(C)cs1)CC2 65496579 CXNXOFAWIPRYTN-UHFFFAOYSA-N 319.390 1.247 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccn(C(F)F)n1 95463097 KAKPBNCGMREZGZ-QMMMGPOBSA-N 311.336 1.990 0 40 DDAB COCCNC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 4504739 WOQIMGNZNOJZIS-LLVKDONJSA-N 300.717 1.735 0 40 DDAB O=C1Nc2ccccc2SC[C@H]1CC(=O)N1CCOCC1 5517623 GAZKHBDFHAPEIC-LLVKDONJSA-N 306.387 1.596 0 40 DDAB COc1ncnc(N)c1CNCc1ccccc1-n1cccn1 95435710 GTOMJDCQIJHXCW-UHFFFAOYSA-N 310.361 1.543 0 40 DDAB CCCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)NC1=S 5898229 LYFPDUMXYYNZKT-POHAHGRESA-N 322.386 1.877 0 40 DDAB CNC(=O)c1cnc(/C=C/c2cnn(-c3ccccc3)c2)[nH]c1=O 71796362 ARULMLPGHSHQOF-BQYQJAHWSA-N 321.340 1.486 0 40 DDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1oc(C)nc1C 96484638 XQNNPXVFSHAHMR-ZDUSSCGKSA-N 320.320 1.945 0 40 DDAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccccc1-n1cnnn1 67512130 MZWDWNDGMGBVPN-GJZGRUSLSA-N 305.341 1.948 0 40 DDAB C[C@H]1CN(c2ccc(CNCc3ncc[nH]3)cn2)C[C@H](C)O1 67668938 NTFRCVIFPLOQNW-STQMWFEESA-N 301.394 1.708 0 40 DDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC(C)(C)C)cc2)C1=O 15842794 CBUWQZVKQUDDKM-SNVBAGLBSA-N 324.402 1.527 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(CSc2ncn[nH]2)cc1 7777779 HQWWPHFEZUFMHA-SNVBAGLBSA-N 306.391 1.862 0 40 DDAB CCO[C@@H]1C[C@H]1C(=O)NCC1(N2CCCCC2)CCOCC1 71896787 UECKXYLDHNCSPR-HUUCEWRRSA-N 310.438 1.563 0 40 DDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1 7883113 OSBXRUPMIIFAGB-LBPRGKRZSA-N 319.386 1.345 0 40 DDAB COc1cc(CNCc2ccsc2)ccc1OCC(N)=O 71837066 FOWKCHCBSNFYSU-UHFFFAOYSA-N 306.387 1.911 0 40 DDAB O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1 95436051 CYGNPJITXWSHEI-HOCLYGCPSA-N 321.398 1.450 0 40 DDAB CC(=O)N1CCc2cc(C(=O)Nc3ccnc4ccnn34)ccc21 71888817 AISFZNRXSHBAMN-UHFFFAOYSA-N 321.340 1.891 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H]1Cn1cccn1 71866279 JDYQOENLSZRNCR-HNNXBMFYSA-N 322.372 1.769 0 40 DDAB C[C@H](CC(=O)NC[C@H](O)c1ccccc1)NC(=O)C1CCCC1 69439831 VMPSKSLIXBVSOV-CJNGLKHVSA-N 318.417 1.921 0 40 DDAB Cc1ccc(N2CCCN(C(=O)COCC3CC3)CC2)nn1 69493107 SLEYLIXFHHWOCE-UHFFFAOYSA-N 304.394 1.250 0 40 DDAB CNC(=O)CCOc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1 69568126 BYMCBAQNMMOYSD-CYBMUJFWSA-N 319.405 1.624 0 40 DDAB c1cc(CN2CCC[C@@H]2Cn2cncn2)c2c(c1)OCCO2 69624324 YYQGYGXAHINRAK-CQSZACIVSA-N 300.362 1.714 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 69778296 VLQJKURAIUMVKV-ZDUSSCGKSA-N 324.388 1.966 0 40 DDAB O=C(C[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69950730 DNDOEUJRGFKSJZ-IAGOWNOFSA-N 318.417 1.433 0 40 DDAB C[S@@](=O)c1nncn1-c1nccc(Oc2ccc(F)cc2)n1 69976835 BHKYFHKMEYYORZ-QFIPXVFZSA-N 319.321 1.726 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccn(CC(N)=O)n1 69977161 USUXSXPUAXNDBP-GFCCVEGCSA-N 315.377 1.511 0 40 DDAB CC(C)CCNC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 8767503 QUNNLAQDKZANRE-UHFFFAOYSA-N 318.377 1.317 0 40 DDAB CCN1CCO[C@@H](CNCc2ccc(-n3ccnc3)cc2)C1 72268802 RYRXLWOYLKLJNN-KRWDZBQOSA-N 300.406 1.683 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccn1C 75354186 ZMYTXSUXRGSHPM-KRWDZBQOSA-N 311.385 1.615 0 40 DDAB CS(=O)(=O)CCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 110692513 AXJTWJPSEMMGSI-RISCZKNCSA-N 319.373 1.507 0 40 DDAB O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 63526862 SKXSKLVLSIALGI-HZPDHXFCSA-N 308.385 1.681 0 40 DDAB Cc1cc(=O)c(O)c(CN2CCO[C@H](c3ccccc3)C2)n1C 79476357 JMXLWOKJDWRNRL-KRWDZBQOSA-N 314.385 1.973 0 40 DDAB COCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccncc1 79310709 ZGNMWDWPXKWTHC-UHFFFAOYSA-N 323.356 1.956 0 40 DDAB Cc1[nH]nc(C(F)F)c1NC(=O)c1cnc2[nH]c(O)nc2c1 518785690 PYNQZHQRNHAADJ-UHFFFAOYSA-N 308.248 1.885 0 40 DDAB CN(Cc1cnn(Cc2ccccc2)c1)Cc1nnnn1C1CC1 44073385 BUDOWTYHAQOBKC-UHFFFAOYSA-N 323.404 1.885 0 40 DDAB CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 218494827 DPYHRDDCUSZRRL-JYJNAYRXSA-N 311.447 1.741 0 40 DDAB COCCn1cnnc1C1CCN(C(=O)c2ccncc2)CC1 72368250 NBQNPNYPAGSRQP-UHFFFAOYSA-N 315.377 1.339 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 72324821 COHAKBKQYHEPDX-KGYLQXTDSA-N 324.808 1.708 0 40 DDAB Cc1cc(N2CCC[C@@H](NC(=O)c3cccnc3C)C2)ncn1 1058185454 WEXMUDMEXGKVCU-CQSZACIVSA-N 311.389 1.887 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc2c(c1)OCC(O)=N2 71285632 JSTAWEZTCPSBEB-UHFFFAOYSA-N 314.257 1.408 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 32103651 MQXXAGCTJNDSQL-FRRDWIJNSA-N 310.357 1.120 0 40 DDAB O=S(=O)(NCc1nc(-c2ccco2)n[nH]1)c1ccccc1F 79097812 ATLWFBIPCBCBJB-UHFFFAOYSA-N 322.321 1.682 0 40 DDAB C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 78915089 QBUBENBSRLJYRP-WFASDCNBSA-N 319.380 1.310 0 40 DDAB O=C(NCCSC1CCOCC1)[C@H]1COc2ccccc2O1 238875315 NWXMQAUITDFSFD-OAHLLOKOSA-N 323.414 1.855 0 40 DDAB C[C@@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)c1ccco1 75156269 UDBMBXWIWXBYIZ-QGZVFWFLSA-N 320.389 1.610 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NC[C@](C)(O)CSC 75157298 NILXJOJHYIFISV-LBPRGKRZSA-N 323.411 1.227 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccc(F)cn1)c1ccc(O)cc1 192989210 PVKXSDVWXOYKFN-ZDUSSCGKSA-N 304.277 1.570 0 40 DDAB O=C(NCc1cccs1)N1CC[C@@H](Oc2cnccn2)C1 225796577 PVWUHOZZZSNYCC-LLVKDONJSA-N 304.375 1.901 0 40 DDAB COc1ccc(NC(=S)NCCN2CCCC2=O)cc1OC 225811663 IDTINHTXCQYSCB-UHFFFAOYSA-N 323.418 1.613 0 40 DDAB Cc1ccc2ncnc(N3CC[C@H](n4cc(C(=O)O)nn4)C3)c2c1 573358835 USYOCPTUPWIQGB-NSHDSACASA-N 324.344 1.679 0 40 DDAB Cc1nsc(N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1 81457398 UMKDVHYZMBUHGF-UHFFFAOYSA-N 320.422 1.655 0 40 DDAB C[C@@H]1C[C@H](NC(=O)[C@@H](C)n2cccn2)C(=O)N1c1ccccc1 96425950 ZZKMRFDHDRFDQD-NFAWXSAZSA-N 312.373 1.754 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 96219007 HMTLMWNTBXPAKR-ZBFHGGJFSA-N 302.378 1.599 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 96064030 QBZZIQLVHYUJEC-DLBZAZTESA-N 315.417 1.683 0 40 DDAB COCCN1CCO[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2C1 96107976 KDRLOTDBFNFPJK-GOEBONIOSA-N 310.463 1.836 0 40 DDAB O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@@H]21)c1ccno1 96040653 TVHIEWCQAUOLHQ-GUTXKFCHSA-N 305.378 1.294 0 40 DDAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccccc1C 96041952 SOZPPPVVGPLLMI-JLJPHGGASA-N 305.374 1.779 0 40 DDAB CO[C@@H]1CCN(C(=O)N(C)C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108583 SZUHTGQAURFYRB-ARFHVFGLSA-N 318.421 1.284 0 40 DDAB O=C(c1cscn1)N1CCC2(CN(Cc3cccnc3)C2)C1 96046439 OOTGQNBBZOWGPL-UHFFFAOYSA-N 314.414 1.886 0 40 DDAB CCOC[C@H]1CCC2(CCN(C(=O)c3cnn(C)c3)CC2)N1C 96207434 QMPCOIRBNJNCCW-OAHLLOKOSA-N 320.437 1.526 0 40 DDAB c1ccc(CN2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)nc1 96081742 PXGLLMYRKYGFBQ-MSOLQXFVSA-N 310.401 1.562 0 40 DDAB COCC(=O)N[C@H](C)c1onc(-c2cccnc2)c1C(=O)O 96296988 BLQFOFIPERVOIC-MRVPVSSYSA-N 305.290 1.258 0 40 DDAB biogenic,in-vitro C[C@@H]1C[C@H]1NC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 96469904 MISBPLBNETWOBD-MWQQHZPXSA-N 315.417 1.690 0 40 DDAB CS(=O)(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 247518945 KVVOFVPNTJCAAR-OAHLLOKOSA-N 321.402 1.244 0 40 DDAB CN(C(=O)c1cc(-c2cccc(F)c2)no1)[C@@H]1CC[C@@H](O)[C@@H]1O 257306792 SVXLLXLVLYHMNS-UMVBOHGHSA-N 320.320 1.437 0 40 DDAB CN1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2C(C)(C)C1 253396894 FDMFBKLTCDDTHV-OAHLLOKOSA-N 317.433 1.302 0 40 DDAB biogenic,in-vitro Cn1cnc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CNCC[C@H]32)c1 257251001 JOYZDTHZTURSBF-BFYDXBDKSA-N 310.401 1.638 0 40 DDAB CNc1cc(CC[C@@H]2CN(C(=O)c3cnco3)CCO2)ccn1 257259323 KXUQVOHEWSEHFO-CYBMUJFWSA-N 316.361 1.585 0 40 DDAB COCC(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257311450 UJNIWKINSHICGI-INIZCTEOSA-N 319.405 1.224 0 40 DDAB C[C@@]12CC[C@@](C)(O1)[C@@H]1[C@H]2[C@@]2(C)O[C@@]1(C)[C@H](C(=O)O)[C@@H]2C(=O)O 253591373 QIDVGQRHVGEPJG-FTMJQSQSSA-N 310.346 1.523 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257209567 BQWXTPCZNDFZSM-CYBMUJFWSA-N 311.345 1.808 0 40 DDAB CN(CCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C1CC1 63117652 SQNWYQSKHSCMPE-UHFFFAOYSA-N 309.454 1.482 0 40 DDAB O=C(c1cnn2cccnc12)N1CCC[C@@H]1c1ccnc(O)n1 257340218 ZFCPBDGWXMMFEI-GFCCVEGCSA-N 310.317 1.202 0 40 DDAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)C1 253369446 CSZSPJORDWPHAK-TUVASFSCSA-N 307.438 1.282 0 40 DDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccco3)CC2)n1 253534964 MZJGGEKPTXMUGB-UHFFFAOYSA-N 302.334 1.482 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1F 257224728 FDBKSHPBYTZGPJ-INIZCTEOSA-N 300.337 1.592 0 40 DDAB CCCCC(=O)N1CC2(CC[C@H](CN3CCCC3=O)CO2)C1 575406353 XBYHKVIWRWMERG-CQSZACIVSA-N 308.422 1.807 0 40 DDAB Cc1nc[nH]c1CN1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585276598 QEQYANAZLLMBQL-KRWDZBQOSA-N 319.380 1.663 0 40 DDAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H](O)[C@@H]1O 585290698 UGDLUAIBKTVZON-JGLIMEIRSA-N 321.421 1.173 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)CCCc2ccccc2)CC1 69418900 GIFKJLFRYBMQLL-UHFFFAOYSA-N 324.446 1.550 0 40 DDAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC[C@@H](O)C1 67477614 LHFQPQSDXPPKTK-HZPDHXFCSA-N 316.401 1.203 0 40 DDAB COC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc(N)cc32)N2CCC[C@H]12 54969073 UTIANWNXFPNUBS-OWRWGESLSA-N 301.346 1.074 0 40 DDAB CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(Cl)c2)nn1 56970205 FKKZMOAHTLUZHG-UHFFFAOYSA-N 307.741 1.272 0 40 DDAB COc1cccnc1NC(=O)CNC(=O)OCC(F)(F)F 75136824 HUIBTPCCUZWSHJ-UHFFFAOYSA-N 307.228 1.317 0 40 DDAB CC[C@@](C)(NC(=O)COCCOc1ccccc1)C(=O)OC 58282682 LYMUGNCQMAUCAO-MRXNPFEDSA-N 309.362 1.540 0 40 DDAB CCC(=O)N1CCCN(C[C@@H](O)COc2ccccc2F)CC1 77410168 AKRUEIHOPBCWTR-CQSZACIVSA-N 324.396 1.510 0 40 DDAB CCNc1nc(C(=O)N2CC[S@@](=O)C(C)(C)C2)cs1 95427156 NEMRUVGBIYYDQM-IBGZPJMESA-N 301.437 1.558 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](N)[C@H](NC(C)=O)C1 101646970 SEYYJZMDDOOQNB-QLFBSQMISA-N 312.410 1.285 0 40 DDAB in-vitro NCCN1C(=O)c2ccccc2[C@]1(O)c1ccc(Cl)cc1 5648810 KJJNDJAXTRLOOD-MRXNPFEDSA-N 302.761 1.948 0 40 DDAB in-vitro CCCCNC(=O)Cn1nc(-c2cc3c(s2)CCC3)oc1=O 12154248 PNBPRRPZYPVIBC-UHFFFAOYSA-N 321.402 1.970 0 40 DDAB C[C@@H](Cn1cncn1)C(=O)N1CCc2ncc(Cl)cc2C1 12220829 PWGTZQIRWWHZRC-JTQLQIEISA-N 305.769 1.548 0 40 DDAB O=C(NC1CC1)c1csc(NS(=O)(=O)c2ccccc2)n1 12628113 UNKNEOGVDULAJS-UHFFFAOYSA-N 323.399 1.836 0 40 DDAB Cn1c(=O)c(=O)n(C)c2cc(NC(=O)c3cccs3)ccc21 13364467 SLDCODWMMHDLEV-UHFFFAOYSA-N 315.354 1.551 0 40 DDAB CC1=C(C(N)=O)C(c2ccc(Cl)cc2)C(C(N)=O)=C(C)N1 19418612 QUXMLICLYCGYIL-UHFFFAOYSA-N 305.765 1.545 0 40 DDAB CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCOCC1 19460781 SVTNZVZWTDZKDD-RVKKMQEKSA-N 323.481 1.239 0 40 DDAB CNC(=O)Cn1cc(NC(=O)CCc2ccc(F)cc2)cn1 19746272 BOHJASJGRCUEJQ-UHFFFAOYSA-N 304.325 1.340 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 6280656 PLEVQBOBOSHPIM-NTUHNPAUSA-N 319.361 1.752 0 40 DDAB Nc1nc(O)c2c(n1)NC(=O)[C@H]2CCc1ccc(C(=O)O)cc1 504231727 XDCYFUHVBXQODS-VIFPVBQESA-N 314.301 1.131 0 40 DDAB in-vitro CCCn1nnnc1CSc1nc(N)c2ccsc2n1 9835878 KPQXDQWELDVNKQ-UHFFFAOYSA-N 307.408 1.962 0 40 DDAB Cc1cccnc1C(=O)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223338 GRENYJDRSGGODU-GJZGRUSLSA-N 324.384 1.515 0 40 DDAB CCc1ccc(C(=O)N2CC[C@@H]3CN(CC)CCO[C@H]3C2)cn1 1565552973 FIQLPBXEMXHXHT-WBVHZDCISA-N 317.433 1.827 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)c3csc(C)n3)CC[C@@H]2C1 1565551694 UZWRJHDKKCGMHY-OCCSQVGLSA-N 309.435 1.634 0 40 DDAB Cc1cncc(C(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)c1 2055734753 RRWULQKQBYPUIP-CYBMUJFWSA-N 314.389 1.727 0 40 DDAB CN1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 22998973 ZWPXFLYCDQURIJ-UHFFFAOYSA-N 323.824 1.414 0 40 DDAB O=S(=O)(N[C@H]1CCCN(CCc2ccccc2)C1)C1CC1 2086886978 LIJMJKKVJZJWMH-HNNXBMFYSA-N 308.447 1.775 0 40 DDAB C[C@H](C(=O)Nc1ccc2nn[nH]c2c1)n1nc2c(cc1=O)CCC2 585150456 LTKDQOXZCTYBAC-SECBINFHSA-N 324.344 1.203 0 40 DDAB NCCCC(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12121985 DWYCOSZEVOIAGI-UHFFFAOYSA-N 304.390 1.696 0 40 DDAB CN(C)c1ncc(NC(=O)N2CCN3CCCC[C@H]3C2)cn1 96483757 UKRXGNBUOFVAIR-ZDUSSCGKSA-N 304.398 1.245 0 40 DDAB CC[C@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 40024928 AYJXARMGXTYWFM-HNNXBMFYSA-N 324.446 1.720 0 40 DDAB CC(NCCc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 20292171 AJLLJEVZMDCVML-UHFFFAOYSA-N 301.346 1.143 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(OCc2noc(C)n2)cc1 40489301 CMXYIBFHDAVHTM-JTQLQIEISA-N 305.334 1.722 0 40 DDAB CN(Cc1ccco1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 52750617 IWNQCPZAAHQVIC-RMKNXTFCSA-N 314.341 1.816 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 21325358 YXPJXQDVZOVZEB-UHFFFAOYSA-N 317.794 1.914 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)N(C)C2CCC(C)CC2)C1=O 32907868 IZAJGKNKUFTHEU-BPCQOVAHSA-N 309.410 1.744 0 40 DDAB C[C@@H](C(=O)N(C)CCCOc1ccc(F)cc1)n1cncn1 41469151 OVPLPPZENOQUNC-LBPRGKRZSA-N 306.341 1.906 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCN(Cc2ccsc2)CC1 53507263 WLTHZWBSMWYICG-CQSZACIVSA-N 309.435 1.754 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1 3092905 NFOVUOGDEJOERJ-UHFFFAOYSA-N 321.402 1.510 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C 47679193 KWMODHADRPQXAP-UPJWGTAASA-N 319.471 1.392 0 40 DDAB O=S(=O)(c1ccc(CN2CCC[C@H]2CO)cc1)C(F)F 78949992 UGJFTPCZWOWNII-NSHDSACASA-N 305.346 1.640 0 40 DDAB CCOC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 2471130 HHQAPJJOTIXDLF-UHFFFAOYSA-N 311.139 1.666 0 40 DDAB 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40 DDAB CC(C)Cc1ccc(CNC2CCN(CC(N)=O)CC2)cc1 88296608 BDZNTOHPRCBDLS-UHFFFAOYSA-N 303.450 1.924 0 40 DDAB CCN(C)S(=O)(=O)c1c(C)nn(CCn2cccn2)c1C 71857488 ISEVLCPLCMPXOG-UHFFFAOYSA-N 311.411 1.037 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C[C@H](O)CN2CCC(C)CC2)c1 71876987 WGQYTGNOZNNDBB-ZWKOTPCHSA-N 320.481 1.749 0 40 DDAB CCO[C@@H]1C[C@H](N(C)c2ccc3nnnn3n2)C12CCCC2 71920899 XFDWJKVMGYVFDW-NWDGAFQWSA-N 302.382 1.693 0 40 DDAB C[C@@H]1SCCN(CCNS(C)(=O)=O)[C@@H]1c1ccccc1 71911163 CZVLJMVEXJJIJU-JSGCOSHPSA-N 314.476 1.714 0 40 DDAB CCCCN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 8272957 VRCKYVQMZIKGCO-UHFFFAOYSA-N 309.410 1.746 0 40 DDAB COC(=O)Cn1nnc(Cc2cccc(Br)c2)n1 95982663 NZUZVZWIWKWXBZ-UHFFFAOYSA-N 311.139 1.199 0 40 DDAB CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCC[C@@H](O)C1 69656264 NKIMRQBTPCVUDE-OAHLLOKOSA-N 319.405 1.201 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H]1Cc3ccccc3O1)C2 69893156 NIRMMZWSZCUJFU-INIZCTEOSA-N 324.384 1.797 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N[C@@H](C)CC(=O)O)CC2=O)c1C 95970391 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1.408 0 40 DDAB Cc1cnc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cn1 22682396 PSYAPWYKKOLMCW-OAHLLOKOSA-N 302.353 1.957 0 40 DDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(O)cc1 85413753 YNMDEEIJGDFDRK-OCCSQVGLSA-N 302.282 1.720 0 40 DDAB COCCN[C@@H]1CSC2(C1)CN(Cc1cn(C)nc1C)C2 2056223900 GWCRXQMAAJCPAC-AWEZNQCLSA-N 310.467 1.024 0 40 DDAB Cc1cccnc1OCC1CCN(CCn2nccn2)CC1 585525805 DETXFBDVTJONPH-UHFFFAOYSA-N 301.394 1.773 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 50246627 LBSYTVUKAQLTDD-VIFPVBQESA-N 319.224 1.418 0 40 DDAB COC(=O)c1c(NC(=O)/C=C\C(=O)O)sc2c1CCCC2 100857419 PHSWQJBAHRHEHZ-SREVYHEPSA-N 309.343 1.993 0 40 DDAB Cc1nc2c(s1)CN(S(=O)(=O)c1c(C)n[nH]c1C)CC2 41194406 PXIMPBUQZOECKF-UHFFFAOYSA-N 312.420 1.538 0 40 DDAB CC(C)CNC(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 52731243 NAMVGDKNCJWSKW-CVEARBPZSA-N 317.433 1.697 0 40 DDAB CC(C)On1c(SCC(=O)N(C)C)nc2ccccc2c1=O 546742 VPJYVVKCUKHXLQ-UHFFFAOYSA-N 321.402 1.414 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(C)c2)CC1 53206801 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NS(=O)(=O)c1cccc(NC(=O)c2ccc(CO)cc2)c1 8762478 RYTCFNYAEVYSAO-UHFFFAOYSA-N 306.343 1.079 0 40 DDAB O=C(c1ccnc(-n2cncn2)c1)N(Cc1ccccn1)C1CC1 55979609 MDVBGVWEDZSXNY-UHFFFAOYSA-N 320.356 1.862 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 56940953 XBQUTWVGTDAHRD-GWCFXTLKSA-N 307.781 1.844 0 40 DDAB C[C@H](NC(=O)CN1CCNC(=O)C1)C12CC3CC(CC(C3)C1)C2 57383086 WNLRPZYDRSDSKY-IHWZXDPASA-N 319.449 1.139 0 40 DDAB CNC(=O)[C@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1 26661798 FSFGHQQEHQSERA-NSHDSACASA-N 304.346 1.100 0 40 DDAB CC(C)(C)NC(=O)NCc1nnnn1-c1ccc(Cl)cc1 9616058 VJXBHMDWXREUCB-UHFFFAOYSA-N 308.773 1.913 0 40 DDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 58309004 ZZEZTCFPYPWGGG-INIZCTEOSA-N 315.304 1.804 0 40 DDAB O=C1CC[C@H](C(=O)Nc2nc(-c3ccccn3)cs2)CN1 48272040 UDIDDGVXAQQHEI-VIFPVBQESA-N 302.359 1.670 0 40 DDAB C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)n1cncn1 45196082 XGVPJTZSRXIUNF-ZBFHGGJFSA-N 313.405 1.792 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)CCOc2ccccc2)n1 12720330 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0 40 DDAB Cc1nnc2ccc(NCCOc3ccc4c(c3)OCO4)nn12 65594117 XAFQKCJAPKGDSK-UHFFFAOYSA-N 313.317 1.652 0 40 DDAB CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc[nH]c1=O 65591735 OXDZOBUMLHCQDF-UHFFFAOYSA-N 320.370 1.809 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 14138567 KMNIPWITOZXTBH-OAHLLOKOSA-N 307.350 1.351 0 40 DDAB CN(C)C(C)(C)CNC(=O)c1cccc(N2CCOC2=O)c1 89761791 PYIFGPDEJZZSCE-UHFFFAOYSA-N 305.378 1.713 0 40 DDAB CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)O)ccc21 6948300 JAUUVTJOORGREX-UHFFFAOYSA-N 311.359 1.234 0 40 DDAB O=C(NCc1nccs1)N1CCN(c2ccccn2)CC1 80043347 SXKNHKTZPYWCJG-UHFFFAOYSA-N 303.391 1.570 0 40 DDAB O=C(NCCCn1ccnc1)[C@H]1CCCN(c2ncccn2)C1 9421513 WJWRTLZQHMTYAY-AWEZNQCLSA-N 314.393 1.096 0 40 DDAB Cc1nc[nH]c1-c1nccn1Cc1ccc2c(c1)n(C)c(=O)n2C 67773761 RKNOKECJOHIZGA-UHFFFAOYSA-N 322.372 1.820 0 40 DDAB Cn1cc([C@@H]2CCCN2C[C@H](O)COCc2ccco2)cn1 71799301 UVUPEFKEKHMBOQ-HOCLYGCPSA-N 305.378 1.728 0 40 DDAB CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc2c1=O 7763942 YKHXRCRMDJTGCT-UHFFFAOYSA-N 314.370 1.512 0 40 DDAB CN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)C1CCC1 96499914 XGTSDKMUJAPBGB-CHWSQXEVSA-N 306.387 1.702 0 40 DDAB O=C(NCc1ccccn1)N(CCO)CCOCC(F)(F)F 70018868 ZPDZKTSDFJMEDW-UHFFFAOYSA-N 321.299 1.164 0 40 DDAB Cc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)s1 8315528 GDFCZMKJNBZTAV-UHFFFAOYSA-N 308.403 1.743 0 40 DDAB O=C(O)/C=C/C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17054680 NGMJVIZQQHJRBD-OWOJBTEDSA-N 318.417 1.740 0 40 DDAB COc1ccc(OC)c([C@H](O)CN[C@@H](C)Cn2cc(C)cn2)c1 71874955 PKCASDLBIGTVPN-XJKSGUPXSA-N 319.405 1.920 0 40 DDAB C[C@@H]1COCCN1C(=O)C1=NN(c2ccccc2)C(=O)CC1 71804273 YGPTYFKJTCYJLF-GFCCVEGCSA-N 301.346 1.417 0 40 DDAB CN(C)c1ccc(CCNC(=O)N2CCC[C@H](CO)C2)cc1 69662001 SIQVYPMLUPNMIQ-HNNXBMFYSA-N 305.422 1.709 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCC[C@H](CN2CCOCC2)C1 69711172 RXRPPSUBJBLLLA-MRXNPFEDSA-N 320.408 1.939 0 40 DDAB Cc1cn2c(CNC[C@@H]3CN(C4CC4)CCO3)c(C)nc2s1 69894300 PITNEICFXFBSMJ-CQSZACIVSA-N 320.462 1.965 0 40 DDAB COc1cccc(CNCc2nnc3n2CCCC3)c1OC 69814288 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C[C@@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccccn2)no1 89937969 WEQSGZBKNPAVOF-GFCCVEGCSA-N 315.377 1.227 0 40 DDAB CN1CC[C@@H](NC(=O)N2CC[C@@H](Cc3ccccc3)C2)C1=O 76087212 WCBDJFMGEWRUEE-LSDHHAIUSA-N 301.390 1.491 0 40 DDAB CCN1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 28224434 DGCHSHYMILPQOI-JTQLQIEISA-N 315.215 1.371 0 40 DDAB CN(C)c1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)ccn1 68203589 DAEXNIJRZKIPIX-OAHLLOKOSA-N 324.384 1.683 0 40 DDAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCOCC1 27936688 GBDJXJZTIXIGKR-UHFFFAOYSA-N 303.284 1.638 0 40 DDAB COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](C)C2)cc1 60477991 OAZICWNFIBMFIC-DZGCQCFKSA-N 307.390 1.945 0 40 DDAB O=S1(=O)CCN(Cc2ncccc2Cl)[C@@H]2CCC[C@@H]21 528518677 JRTCOJNBXBAJSC-OLZOCXBDSA-N 300.811 1.887 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)[C@H]1C 529975101 IDJIKMBWVJTCAW-ZVXAKGHKSA-N 317.389 1.972 0 40 DDAB CC[C@H]1C[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)CCO1 536101812 CXMADKFVSCGKLB-AAEUAGOBSA-N 308.382 1.352 0 40 DDAB Cc1nn(CC(=O)N[C@H](C)c2ccncc2)c(=O)c2ccccc12 21302113 OWZPRDDEFNYHFD-GFCCVEGCSA-N 322.368 1.977 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](CN)[C@@H]1c1ccc(Br)cc1 218206093 BWGKWIMXFIPLAY-WOPDTQHZSA-N 318.236 1.925 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)ccc1F 77937673 RRXBQOOFPPCZRG-NOZJJQNGSA-N 312.316 1.571 0 40 DDAB Cc1nc(CN2CCCC[C@@H]2CS(N)(=O)=O)c(C)s1 1548451807 GZUHMLGNFNNCDJ-LLVKDONJSA-N 303.453 1.403 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1 42949151 BOTFVXWPDBGJGL-HNNXBMFYSA-N 324.469 1.404 0 40 DDAB CS(=O)(=O)c1cncnc1C1CCN(c2cnccn2)CC1 72356516 XZDYWAMOUQJQAF-UHFFFAOYSA-N 319.390 1.054 0 40 DDAB CC(C)c1ccc(C(=O)NC2(CC(=O)O)CCOCC2)nc1 567917327 HRZSAXMLTMOGTA-UHFFFAOYSA-N 306.362 1.959 0 40 DDAB CC(C)NC(=O)c1ccc(NCCN2CCOCC2)c(N)c1 225450695 TXDFSNOIZURNKT-UHFFFAOYSA-N 306.410 1.151 0 40 DDAB CCCNC(=O)Cn1c(=O)n([C@H](C)CC)c(=O)c2ccccc21 44840669 NWBXNUCOLZYGDG-GFCCVEGCSA-N 317.389 1.660 0 40 DDAB COc1nn(C)cc1C(=O)Nc1nnc(-c2csc(C)n2)o1 49029240 KPYDVSBIRDPORL-UHFFFAOYSA-N 320.334 1.496 0 40 DDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)/C=C/c1ccco1)C2 225664442 AJSIFRZSIFFXQG-XKZLPGLHSA-N 324.402 1.364 0 40 DDAB C[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)c1ccccc1 81272612 BJQVPDMCMGCESH-NSHDSACASA-N 307.375 1.164 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(CC(N)=O)cs2)c1 44889201 BCZJSBOSPQZASB-JTQLQIEISA-N 319.386 1.885 0 40 DDAB Cc1occc1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 574060916 LZVNXTNIFDMUNV-ZDUSSCGKSA-N 316.361 1.977 0 40 DDAB CCN1CN(C(=O)C(C)(C)COCc2ccccc2)CC1=O 225736525 IQTZPMZCDOXTBI-UHFFFAOYSA-N 304.390 1.878 0 40 DDAB CC(=O)Nc1cccc(NC(=O)Cn2c(C)cc(O)cc2=O)c1 96223541 LKIJGNMTYKYZJF-UHFFFAOYSA-N 315.329 1.459 0 40 DDAB Cn1cc(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1 96107650 ZALRXXUAVCXYRK-RDJZCZTQSA-N 314.389 1.628 0 40 DDAB O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccncc1)C2 96048710 UKLOQESVCHZENA-SFHVURJKSA-N 323.400 1.891 0 40 DDAB c1cnn(Cc2nnc3n2CCCN(CC2CCOCC2)C3)c1 96259658 PXKBHZXVNUCIAF-UHFFFAOYSA-N 316.409 1.155 0 40 DDAB CC(C)N(C)C[C@H]1CN(C[C@@H]2CCOC2)Cc2nccn2C1 96188330 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COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)Nc1cccc(F)c1 96081234 MRCIYCQHYTUKFG-KBPBESRZSA-N 321.352 1.679 0 40 DDAB CN1CC[C@]2(COCCN(S(=O)(=O)c3ccccc3)C2)C1 96201932 NPMBVRJTPHRBFU-HNNXBMFYSA-N 310.419 1.029 0 40 DDAB Cn1cc(CN2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)cn1 96239147 IWCLTLGPGOCPNQ-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB CCO[C@H]1CN(S(=O)(=O)c2cccc(F)c2)[C@@H]2COC[C@@H]21 96184980 FLPREXJGTZOPMM-MJBXVCDLSA-N 315.366 1.250 0 40 DDAB COCC(=O)NCC[C@H]1CN(C2CCC2)Cc2ccnn2C1 247823115 ITPSHWJAFURRFF-ZDUSSCGKSA-N 306.410 1.020 0 40 DDAB CN(C)C(=O)c1ccc2c(c1)C1(CCCC1)CN2S(C)(=O)=O 248001841 NWMOVOCLMOZPLM-UHFFFAOYSA-N 322.430 1.980 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc3nccn23)C1 257294864 QWAKLZYZNGREMH-GFCCVEGCSA-N 308.407 1.320 0 40 DDAB CNc1ncccc1CN1CCOC[C@@H](Cc2cnccn2)C1 257225681 FHHPVTBTVLXGRI-AWEZNQCLSA-N 313.405 1.604 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCOC[C@H]2c2[nH]ncc2C)s1 257263550 LQLLMWFLXAOYJE-LBPRGKRZSA-N 320.418 1.934 0 40 DDAB COCc1c(C(=O)N2CCC[C@@H]2c2ccnc(O)n2)noc1C 257297551 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CS(=O)(=O)N1CCC(c2ccnc(-c3cc[nH]n3)c2)CC1 585180200 OQMZRIDBKAMWAW-UHFFFAOYSA-N 306.391 1.611 0 40 DDAB C[C@H](Nc1ncccn1)c1cccc(S(=O)(=O)N(C)C)c1 67448168 IPWKKKATASCIOP-NSHDSACASA-N 306.391 1.900 0 40 DDAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCCNC3=O)c2)cs1 69332945 KFOFWWDWVVDHGD-SNVBAGLBSA-N 304.375 1.455 0 40 DDAB O=C(COc1ccccc1F)N1CCN(CC(F)(F)F)CC1 44448732 AAOHOLDODROQMY-UHFFFAOYSA-N 320.286 1.911 0 40 DDAB Cc1nnsc1C(=O)N1CCCN([C@@H]2CCSC2)CC1 1565521940 JEGDPPJBOTUHQK-LLVKDONJSA-N 312.464 1.500 0 40 DDAB O=C(c1ccc(NC2CC2)nc1)N1CCN(c2cnccn2)CC1 57196037 IOYMEJHQAPJQJL-UHFFFAOYSA-N 324.388 1.408 0 40 DDAB OC[C@H](O)CSCc1nnc(-c2ccc(Cl)cc2)o1 89793879 MQCNVWYEMGTVQR-JTQLQIEISA-N 300.767 1.976 0 40 DDAB Cc1nc2n(c1C)CCN(Cc1nnnn1Cc1ccccc1)C2 97201148 FVCDYLWRMQCLPW-UHFFFAOYSA-N 323.404 1.551 0 40 DDAB Cc1ccc(F)cc1C(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549168732 YVZRUFFDSWKEDC-UHFFFAOYSA-N 318.348 1.903 0 40 DDAB O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cccs1 14031076 MYDCNKZEPAXBAN-VIFPVBQESA-N 307.400 1.658 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1cccs1 16284091 FEIZMTGJCWDJHM-LLVKDONJSA-N 319.338 1.877 0 40 DDAB COc1ccc2c(c1)C[C@H](C(=O)NCc1noc(C)n1)CO2 19286052 UVORJJIEAXLOMY-NSHDSACASA-N 303.318 1.254 0 40 DDAB CS(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819304 HCXHRNNKMXIVMK-UHFFFAOYSA-N 317.370 1.656 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)C1 252516437 SNFWVMFIPDNKIV-ZIAGYGMSSA-N 304.394 1.188 0 40 DDAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCO 18119451 WYUIKYKDJMBUIH-OWCVQMPJSA-N 319.360 1.871 0 40 DDAB Cc1nc(NC(=O)c2ncnc(C)c2C)sc1C(=O)N(C)C 1888860137 ILWZDHWGBHHNJN-UHFFFAOYSA-N 319.390 1.812 0 40 DDAB C[C@@H](Oc1ccccc1F)C(=O)NC1CN(c2ccccn2)C1 1888863714 ZYNZBVKKCJPZFF-GFCCVEGCSA-N 315.348 1.993 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 13985602 PWTLLRUTALBOKL-PMDBQALLSA-N 318.373 1.517 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3C[C@]32C(=O)NC2CCC2)n(C)n1 2056225182 GMEMMDWNQOZXGT-MEDUHNTESA-N 302.378 1.002 0 40 DDAB CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5442201 BLTQOFLXKVTVIO-UHFFFAOYSA-N 317.389 1.696 0 40 DDAB Cc1cnc2c(c1Nc1cccc(F)c1)c(=O)n(C)c(=O)n2C 12226788 GQTKTIFHEHSHSP-UHFFFAOYSA-N 314.320 1.823 0 40 DDAB O=c1[nH]c(=O)n(Cc2ccco2)c2c1CN(C1CCCC1)CN2 19939566 UNZUTFAILPARCO-UHFFFAOYSA-N 316.361 1.306 0 40 DDAB COc1cnc(O[C@H]2CCN(c3ncc(Cl)cn3)C2)nc1 2086884410 OJPLXHLNLXKCLX-JTQLQIEISA-N 307.741 1.586 0 40 DDAB O=C(c1cc(-c2cccnc2)on1)N1CC(Cn2ccnn2)C1 585386039 PJJMGPIIDDCRFB-UHFFFAOYSA-N 310.317 1.100 0 40 DDAB N[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 50242135 UHIZHKKHVBXLSM-MRVPVSSYSA-N 310.297 1.307 0 40 DDAB CC(C)NC(=O)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1 40478774 DVDXMSCTPVTWDK-UHFFFAOYSA-N 321.406 1.121 0 40 DDAB CCCC(C)(C)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 50808684 HCVCOHGPAGMIMT-UHFFFAOYSA-N 317.389 1.775 0 40 DDAB CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 31610747 LRTWMVXMACJZJD-VIFPVBQESA-N 322.308 1.360 0 40 DDAB Cc1nccc(-c2cccc(NCC(=O)N3CCNC3=O)c2)n1 31785722 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O=C(Nc1nncs1)NC1CCN(C(=O)c2ccoc2)CC1 43129875 YVVYILFQRUALNE-UHFFFAOYSA-N 321.362 1.557 0 40 DDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 24685874 NKCHLLBZKJKAPO-LBPRGKRZSA-N 316.810 1.629 0 40 DDAB CCOc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 100594411 MGNUILPDPJSUFD-CQSZACIVSA-N 304.346 1.049 0 40 DDAB O=C(Nc1nncs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24716175 UXAJKEJJLPFOOV-NSHDSACASA-N 318.358 1.908 0 40 DDAB N=c1c2cnn(-c3cccc(Br)c3)c2ncn1N 103707034 WWWVOGGCLRKESF-UHFFFAOYSA-N 305.139 1.178 0 40 DDAB COc1ccccc1C[C@@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 55667088 COLBXYNDCYEHRQ-OCCSQVGLSA-N 304.390 1.611 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCCCC1 103902194 NQLOWZDPHFOGAJ-UOVKNHIHSA-N 302.374 1.242 0 40 DDAB CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H]1CC(=O)NC1=O 104360566 KGLVWUDAGPYSEJ-CQSZACIVSA-N 313.357 1.364 0 40 DDAB CCOc1nnc(CN2CCN(c3ccccc3O)CC2)s1 58136853 DXBBOWIWBQFTQK-UHFFFAOYSA-N 320.418 1.965 0 40 DDAB COc1cc(OC)c(OC)cc1CNCc1ccc[nH]c1=O 58147500 BAJATOJCXGEHCK-UHFFFAOYSA-N 304.346 1.691 0 40 DDAB COc1ccc(CNC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1OC 12624220 CNRAAIDOZOJKNO-CHWSQXEVSA-N 322.405 1.429 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2c(c1)CCO2 58224329 HNQXVYQIMMITRB-INIZCTEOSA-N 324.380 1.377 0 40 DDAB C[C@@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)OCCO2 48235875 NJPZALFUBHPBHQ-SNVBAGLBSA-N 302.334 1.741 0 40 DDAB Cn1cc(-c2nc(C(=O)NCC[C@@H]3CCCO3)cs2)cn1 58268687 CQWKZZDAKDFNNP-NSHDSACASA-N 306.391 1.843 0 40 DDAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1 44945978 IDLBROPBWAPIHA-CMPLNLGQSA-N 322.386 1.980 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccco1 48210049 VFAVVMWBJPVAHM-UHFFFAOYSA-N 324.340 1.592 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(F)c2)CC1 44935177 XHJCRAUPADXURO-UHFFFAOYSA-N 314.382 1.423 0 40 DDAB Nc1nccnc1C(=O)NCc1cccnc1N1CCCCC1 58314266 CTTFRUOBXJUUCL-UHFFFAOYSA-N 312.377 1.374 0 40 DDAB CCOc1cc2c(cc1CNS(=O)(=O)N(C)C)O[C@@H](C)C2 27960152 ZKQRZTQBNCXVCA-JTQLQIEISA-N 314.407 1.305 0 40 DDAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)Cn1cncn1 58406909 PXKXNZIVBDGUFV-UHFFFAOYSA-N 321.812 1.522 0 40 DDAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc2c(c1)C(=O)NC2 58473461 MIVBHJYQHVNSHJ-UHFFFAOYSA-N 302.330 1.904 0 40 DDAB CCCCN(C)C(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 57478707 RYWWZNFWCPEEQV-UHFFFAOYSA-N 323.418 1.503 0 40 DDAB CNC(=O)C1CCN([C@H](C)C(=O)N2CCc3ccccc32)CC1 29163219 INDRRJVKEFFEPD-CYBMUJFWSA-N 315.417 1.422 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccccn1 45845445 IRHJLZVLOIMLLB-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB Cc1ccoc1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 46361297 MVCHFIBPPWRLDK-UHFFFAOYSA-N 313.313 1.892 0 40 DDAB CN(C)c1ccc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)cn1 46387231 OOWJQFFAGRHHIE-UHFFFAOYSA-N 322.368 1.919 0 40 DDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)cc1 3498754 SISGJAMBBIHFDM-UHFFFAOYSA-N 317.374 1.212 0 40 DDAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NC1CC1 3590711 AKDXZAJMUXEFCX-UHFFFAOYSA-N 310.375 1.759 0 40 DDAB CCOc1ccc(C(=O)NCc2nnc3n2CCC3)cc1OC 12992893 CRVVKYGPHKUOIE-UHFFFAOYSA-N 316.361 1.562 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2ccccc2[nH]c1=O 12917257 AGXBZCBMPCHAJJ-CYBMUJFWSA-N 313.313 1.329 0 40 DDAB Cc1nc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc1C 71297204 SJXQIGKSTUIXOH-UHFFFAOYSA-N 322.390 1.563 0 40 DDAB COc1cc2c(nn1)CCN([C@H](C)C(=O)NCc1ccco1)C2 84001323 RYQGKOQZIPAHHL-LLVKDONJSA-N 316.361 1.141 0 40 DDAB Cc1cccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@H]3NC2=O)c1 4399855 ZJFPNYQAZRMYPG-ZNMIVQPWSA-N 301.390 1.723 0 40 DDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCCO1 5295289 NFFSAGSSWOZDBU-QWRGUYRKSA-N 310.781 1.754 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](n2cccn2)C1 65615007 VFRLZSBCXZFOGO-ZNMIVQPWSA-N 307.394 1.631 0 40 DDAB CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccn(C)c(=O)c1 65900180 QFEKCRGDYGSFPA-UHFFFAOYSA-N 324.384 1.966 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)c1nn(C)c(=O)c2ccccc12 6879812 WFMGIZOOASVBAJ-UHFFFAOYSA-N 311.345 1.536 0 40 DDAB Cc1cc(C)c2c(CC(=O)N[C@H]3CCS(=O)(=O)C3)coc2c1 6809778 ARWREZMYDPUWIJ-ZDUSSCGKSA-N 321.398 1.895 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1C(N)=O 66965613 BOETZJOXZAWWJK-NWDGAFQWSA-N 302.330 1.699 0 40 DDAB CCc1cccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 7398576 JSLBBBZFAKSATM-QGZVFWFLSA-N 315.373 1.908 0 40 DDAB COC(=O)c1ccccc1[C@@H]1NC(N)=Nc2nc3ccccc3n21 9884516 FISGJMLPKQVSSZ-CQSZACIVSA-N 321.340 1.919 0 40 DDAB CCC[C@H](NC(=O)N1CCNC(=O)C1)c1ccc(F)cc1F 96467280 QPVDVBOPROIVQU-ZDUSSCGKSA-N 311.332 1.947 0 40 DDAB CC(C)c1nc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)cs1 96404569 XGELLCMPCFNUDU-VIFPVBQESA-N 317.436 1.253 0 40 DDAB Cc1ccc(OCCn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 7875642 BYTSZOSOGBQFGZ-UHFFFAOYSA-N 323.356 1.826 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 7976919 GLIRYDPNXQLHFZ-AWEZNQCLSA-N 308.353 1.439 0 40 DDAB CC(C)N(CC(=O)N1CCNC1=O)Cc1cc2c(s1)CCC2 71824962 BUTZOTPRUIZVQL-UHFFFAOYSA-N 321.446 1.999 0 40 DDAB CCO[C@H]1C[C@@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 71818923 SEHWIDGNBAOHQG-STQMWFEESA-N 304.394 1.355 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N(CC(N)=O)C1CCCC1 71821132 AMHYGTACCXBOOR-LLVKDONJSA-N 308.353 1.850 0 40 DDAB O=c1onc(-c2ccccc2)n1Cc1nc(-c2ccccn2)no1 69460905 BWRWFTATSKZMAW-UHFFFAOYSA-N 321.296 1.997 0 40 DDAB COc1ccc(NC(=O)Cn2cnc3sccc3c2=O)cn1 17296538 FUCBIMRALWYNKZ-UHFFFAOYSA-N 316.342 1.500 0 40 DDAB CCC[C@H](C)C(=O)NCc1cccc(CS(=O)(=O)NC)c1 69655935 TYAUUFMKFDPQBG-LBPRGKRZSA-N 312.435 1.788 0 40 DDAB Cc1cnn(C2CCN(C(=O)COC[C@H]3CCCO3)CC2)c1 71900784 VJQZAQUFFKXDOF-OAHLLOKOSA-N 307.394 1.551 0 40 DDAB O=C(CN1CC=C(c2ccc(O)cc2)CC1)NC[C@@H]1CCCO1 69777588 XPNCWFWYVWMRAE-KRWDZBQOSA-N 316.401 1.777 0 40 DDAB O=C(Nc1ncccc1I)[C@H]1CCCO1 69812356 MWIWZJVCFPZLFO-MRVPVSSYSA-N 318.114 1.804 0 40 DDAB Cn1ccnc1CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 69921810 OYYZJIXKFLIKLP-ZDUSSCGKSA-N 316.409 1.435 0 40 DDAB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1 8777631 GDMMFBDFDBIOOO-VIFPVBQESA-N 320.301 1.881 0 40 DDAB Cc1cc(N2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)nc(C)n1 97034106 LCNKWSNNNBUYSI-HKUYNNGSSA-N 324.428 1.874 0 40 DDAB C[S@](=O)CCN1CCN(Cc2cccc3cc[nH]c23)CC1 97032748 MWWCZMSQYWOPIJ-OAQYLSRUSA-N 305.447 1.664 0 40 DDAB O=C(CCc1ccsc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269572 KMWWCCDLIVIDKP-CABCVRRESA-N 308.447 1.738 0 40 DDAB CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)C1CCCCCC1 95349251 JERMZJLHFWBDHK-AWEZNQCLSA-N 316.467 1.982 0 40 DDAB CN(C)S(=O)(=O)CC(=O)N1CC2(CCCC2)c2ccccc21 97107356 ORHRYGAZUHCHRC-UHFFFAOYSA-N 322.430 1.736 0 40 DDAB CC(C)c1nnc(N[C@H](C(=O)N2CCOCC2)C(C)C)s1 95449472 LCAATBQDYYDBIT-NSHDSACASA-N 312.439 1.957 0 40 DDAB C[S@@](=O)CCCNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 95450397 RJPSOUZWMVVLQA-WYRIXSBYSA-N 324.229 1.912 0 40 DDAB COC(=O)c1sccc1Cn1nnn(-c2cccs2)c1=O 88498206 YBTYGZUCNDIGJK-UHFFFAOYSA-N 322.371 1.387 0 40 DDAB Cn1cc(S(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)cn1 95980888 LEIPUPJUKHATOM-CQSZACIVSA-N 309.366 1.915 0 40 DDAB COc1cccc(CC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c1 95943953 ABGUNIPWHHKZPL-QGZVFWFLSA-N 323.389 1.447 0 40 DDAB O=C(O)COc1ccc(S(=O)(=O)N[C@H]2CC=CCC2)cc1 88747474 FUVRJJTYZXTVSR-NSHDSACASA-N 311.359 1.537 0 40 DDAB CN1CCN(C(=O)COC[C@H]2CCCO2)c2ccc(F)cc21 76067767 LMXUYXZTRMOCIP-CYBMUJFWSA-N 308.353 1.804 0 40 DDAB O=C1CCN(CC(=O)N2CCCC[C@H]2c2nccs2)C(=O)N1 76016974 NPWNNDORESXZCF-JTQLQIEISA-N 322.390 1.139 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 61721798 HPMSOGMTZQIJAR-NWDGAFQWSA-N 315.333 1.266 0 40 DDAB Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1cnccn1 528060786 UERBAULDZMEQEJ-UHFFFAOYSA-N 300.362 1.793 0 40 DDAB COc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1 79438731 ZAPIKYKXTKRWJD-UHFFFAOYSA-N 308.382 1.979 0 40 DDAB CC[C@@H]1C[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)CCO1 536101826 CXMADKFVSCGKLB-WCQYABFASA-N 308.382 1.352 0 40 DDAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccccn3)no2)cc1 78773870 JQYDHKWEJDWXCP-UHFFFAOYSA-N 316.342 1.707 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218487378 ONIIGKKBVHFCNV-AVGNSLFASA-N 303.811 1.584 0 40 DDAB Cc1noc(C)c1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 72321723 TUBLJNMQYJYSPT-RRCSTGOVSA-N 316.357 1.299 0 40 DDAB biogenic,in-vitro CNc1ccc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)nc1 72388065 GJBYQWBQHRFAGY-AWEZNQCLSA-N 301.350 1.071 0 40 DDAB O=C(COc1ccccc1F)N1CCNC[C@H]1c1ccncc1 562963850 NEPGNQFIRQOGJZ-HNNXBMFYSA-N 315.348 1.773 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCc3ccccn3)c(O)n2c1 226821954 WLWOKHAFGODCCB-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB O=C(c1cnc(O)c(Cl)c1)N1CC[C@H](Oc2cnccn2)C1 225795325 NIRBAYKWNPUASU-JTQLQIEISA-N 320.736 1.524 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1NCCOc2ccccc21 1578500507 PZKVFVAFEBTCKS-OAHLLOKOSA-N 300.362 1.102 0 40 DDAB CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 195315941 GDEODOLLRJMRCG-GXTWGEPZSA-N 304.456 1.205 0 40 DDAB Cn1ccc2ccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)cc2c1=O 225485008 GPQJEYRZMPPMSB-WCQYABFASA-N 313.357 1.597 0 40 DDAB CN(C)C(=O)CC1CCN(C(=O)NCCC(F)(F)F)CC1 195557135 NMOVOGBWAFNDEE-UHFFFAOYSA-N 309.332 1.839 0 40 DDAB Cn1nnnc1COc1cccc(C(=O)N2CCCCC2)c1 96101361 RYMZHUQUVRGJBJ-UHFFFAOYSA-N 301.350 1.415 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@H](OC)c1cccc(F)c1 96387997 RRIQVRAJFCYABE-ZDUSSCGKSA-N 307.325 1.685 0 40 DDAB CN1C(=O)C2(CCN(S(C)(=O)=O)CC2)[C@H]1c1ccccc1 96080438 VECMOELWLZDPLQ-CYBMUJFWSA-N 308.403 1.242 0 40 DDAB O=C([C@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCO1 96040798 WBBJDNGCCZGSJB-KFWWJZLASA-N 322.430 1.606 0 40 DDAB CCN(CC)Cc1cnc2n1CCN(c1ccc(C)nn1)CC2 96067878 XMIYOXQTTGQHEC-UHFFFAOYSA-N 314.437 1.886 0 40 DDAB c1nc2c(n1CC1CC1)[C@H](COCC1CCOCC1)CNC2 96045166 VFWVQPVGDXIVOF-HNNXBMFYSA-N 305.422 1.923 0 40 DDAB Cc1ccc(C(=O)N2CC[C@@]3(CCN3c3ncccn3)C2)cn1 96228703 YIIHQPYUYZCRSJ-QGZVFWFLSA-N 309.373 1.675 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(C(F)(F)F)c1 93103237 PTQLUCGPBPUNLD-NEPJUHHUSA-N 321.270 1.953 0 40 DDAB O=C(c1ccccn1)N1CC[C@H]2[C@H]1CCN2c1nncs1 96184890 VOQIRNFBNVFAMD-NEPJUHHUSA-N 301.375 1.427 0 40 DDAB Cc1ccc2ncc(CN(C)CC(C)(C)S(C)(=O)=O)n2c1 93772814 VJJCKEGSSIISIM-UHFFFAOYSA-N 309.435 1.898 0 40 DDAB O=C(CCO)N1CC[C@@]2(C1)C(=O)N(CC1CC1)c1ccccc12 96244843 SMFCXTBOQBFVKT-SFHVURJKSA-N 314.385 1.296 0 40 DDAB O=C(NCC[C@@H]1CCOC12CN(C1CCC1)C2)c1cnccn1 247513896 UYDAWECBKJDNNK-CYBMUJFWSA-N 316.405 1.240 0 40 DDAB OC1(CN2Cc3nccn3C[C@H]2c2ccccc2)CCOCC1 257316226 VERAVKGSNFXPIM-INIZCTEOSA-N 313.401 1.982 0 40 DDAB O=C(c1cnc(O)nc1O)N1CCC(Cc2ccncc2)CC1 257250543 JMYPVWUYEIXCQA-UHFFFAOYSA-N 314.345 1.378 0 40 DDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3nccn3C)CCO2)n1 257315135 VAAIRPBJMOUGAD-GFCCVEGCSA-N 301.350 1.041 0 40 DDAB COc1cn(CC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c(C)cc1=O 257199394 FXVIQHRBTZLYFD-HZSPNIEDSA-N 302.374 1.494 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCOC[C@@H]1c1ccn[nH]1 257211018 BXDHSVSYNHDNKL-CQSZACIVSA-N 305.309 1.528 0 40 DDAB CC(C)Oc1cccc(C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)n1 262837131 RSJSUDIFSXKQGY-SMDDNHRTSA-N 322.361 1.478 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ncc(OC)cn1 283874525 IKPODSXJATZOCQ-JTQLQIEISA-N 317.353 1.296 0 40 DDAB CCc1nc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)no1 295298077 LZSPACHZDOBXNE-UHFFFAOYSA-N 321.358 1.952 0 40 DDAB COc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)O)cc1OCCO 390833690 LMJYMEXDKZLFET-OAHLLOKOSA-N 323.389 1.442 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575404038 LSTMJOJHZRMXSK-AWEZNQCLSA-N 322.430 1.721 0 40 DDAB COC(=O)[C@@H]1CN(Cc2cnn(C)c2)c2ccc(F)cc2O1 585141457 WIADCMABQGRJJG-AWEZNQCLSA-N 305.309 1.500 0 40 DDAB O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1nn[nH]n1 585139745 SNXGZZHFZCDKRF-HNNXBMFYSA-N 309.329 1.484 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccccn2)Cc2cccn2C1 585099244 YKVZHKWRDMJDRK-ZDUSSCGKSA-N 312.373 1.291 0 40 DDAB Cc1cc(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)ccc1F 585283003 OFZVVBNWOPVOKS-IRXDYDNUSA-N 309.381 1.863 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC(C2CCOCC2)C1 1551487542 RTEONXXXAVXXOY-IAGOWNOFSA-N 315.417 1.679 0 40 DDAB C[C@H](O)CN1CCC(CN(C)CCCN2CCCC2=O)CC1 69951337 LPEGQQDQWUMKRH-HNNXBMFYSA-N 311.470 1.024 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC(N2CCNC2=O)CC1 71835025 UEQBGFQKYAJAKB-CHWSQXEVSA-N 303.362 1.399 0 40 DDAB C[C@]1(NC(=O)CCC(=O)c2cccs2)CCS(=O)(=O)C1 37077240 NKFTXZYCBQNMRA-ZDUSSCGKSA-N 315.416 1.404 0 40 DDAB CN(Cc1csc(-c2ncccn2)n1)[C@H]1CCS(=O)(=O)C1 48287032 NISJAWPBPIZJPM-NSHDSACASA-N 324.431 1.219 0 40 DDAB O=C(NCCc1cccc(O)c1)C(=O)Nc1cc(F)cc(F)c1 76018330 FFHJTABTBLWRRL-UHFFFAOYSA-N 320.295 1.968 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)N1CCNC(=O)CC1)[C@@H](C)C2 96003569 YCXZFKPKNYESAW-BLLLJJGKSA-N 301.390 1.760 0 40 DDAB CCc1cc(N2CCN(c3nc(C)ns3)CC2)nc(C)n1 302095383 NVVILIMTMZQPDB-UHFFFAOYSA-N 304.423 1.834 0 40 DDAB Cc1ccc(=O)n(CC2(O)CCN(Cc3cccs3)CC2)n1 12187743 ZYOJHFNLKAZLOE-UHFFFAOYSA-N 319.430 1.640 0 40 DDAB Cc1noc([C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN2C)n1 12530037 BNUALJPYFSCFLP-STQMWFEESA-N 301.350 1.945 0 40 DDAB biogenic,in-vitro O=C(COc1cccc2cccnc12)NCCN1CCOCC1 206997986 LBCWYMBVAQWQQO-UHFFFAOYSA-N 315.373 1.062 0 40 DDAB COc1ccc(CNC(=O)N[C@H](Cn2cncn2)C(C)C)cc1 1565523316 KFPNDRKIIHOFIL-OAHLLOKOSA-N 317.393 1.811 0 40 DDAB O=C(CCc1ccc[nH]1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772652 JTTXYPPSIYQWDQ-ZFWWWQNUSA-N 301.390 1.274 0 40 DDAB CCN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 19818308 OBSSDVAFBMTYPW-CQSZACIVSA-N 321.808 1.609 0 40 DDAB CCc1cc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)ncn1 2086889194 NTBIOUVUSWXJRT-ZDUSSCGKSA-N 324.450 1.432 0 40 DDAB O=c1cc(C2CC2)ncn1CC1CCN([C@H]2CC[C@H]2O)CC1 585630303 UAEQVUCJNIEJFR-JKSUJKDBSA-N 303.406 1.356 0 40 DDAB CCOc1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 5119815 GGEUKLFUKKGZJZ-UHFFFAOYSA-N 317.345 1.822 0 40 DDAB Cc1noc(C)c1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 30032014 HWDYZASHQJRVFN-UHFFFAOYSA-N 318.358 1.862 0 40 DDAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H](C)O1 40488183 VLWVBPPFXQCDIO-STQMWFEESA-N 300.362 1.576 0 40 DDAB CCN(CC)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 40475919 WUXZLWDQVNJJOH-KRWDZBQOSA-N 319.449 1.206 0 40 DDAB O=c1n(CCSc2ncc3ccccn23)nc2ccccn12 31844386 JQPFNJSOJMKYQY-UHFFFAOYSA-N 311.370 1.936 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NCc2ccco2)cc1 40539901 VZZVCTHJTBGDCW-UHFFFAOYSA-N 308.359 1.683 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3C(c4cccnc4)=NO[C@H]3C2=O)cc1 101358794 CNSQTPWCHATLQE-DZGCQCFKSA-N 307.309 1.683 0 40 DDAB O=C1C[C@H](N(C(=O)c2cccc(-c3ccoc3)c2)C2CC2)C(=O)N1 101833945 QIHPVQBERFODGV-HNNXBMFYSA-N 324.336 1.966 0 40 DDAB Cc1ccc(OCCC(=O)N2CCC(C(N)=O)CC2)cc1C 32765561 SYDSVCIAXVDDTQ-UHFFFAOYSA-N 304.390 1.796 0 40 DDAB O=C(NCC(F)(F)F)c1cc(Cl)ccc1-n1cnnn1 32979378 ZQEZRCSRNTYTGK-UHFFFAOYSA-N 305.647 1.608 0 40 DDAB Cc1ccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)n1C 22081048 HNZBCILWDJUORC-UHFFFAOYSA-N 312.373 1.303 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(C)c2)CC1 53206799 FRQDMBAUCYUAOT-KRWDZBQOSA-N 315.417 1.655 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 104091035 XAZOOGOOYFXZMK-PYTWLRIVSA-N 316.401 1.790 0 40 DDAB COC(=O)[C@@H](C)Oc1nc(C)c(Br)c(OC)n1 188188 JCQAPVJVZRYLDN-ZCFIWIBFSA-N 305.128 1.496 0 40 DDAB CN(CCC1CCN(c2ccncc2)CC1)[C@H]1CCNC1=O 92821605 PHWLKNCIMVYSOQ-INIZCTEOSA-N 302.422 1.508 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)c1 71186013 KNDCTDZTCMRGLM-ZDUSSCGKSA-N 310.361 1.712 0 40 DDAB C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CCO1 47797948 GTEAAZMLPDYAQQ-UKRRQHHQSA-N 308.422 1.805 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)CN(C)c3cnccn3)C2)n1 54120568 DMXBHEINIGSPOD-GFCCVEGCSA-N 316.365 1.010 0 40 DDAB Cc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1 23624399 WBNBJXWCOJFFEL-UHFFFAOYSA-N 300.366 1.338 0 40 DDAB C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)NC(N)=O 12539043 OUROAJMWNXNDGW-ZWNOBZJWSA-N 307.350 1.240 0 40 DDAB COc1ccc(C(N)=O)c(OCc2csc(NC(C)=O)n2)c1 42706645 ZEVZNFJVODHTKS-UHFFFAOYSA-N 321.358 1.788 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc2ccccc2o1 4502616 PVOISKQCTSKJTC-CYBMUJFWSA-N 311.301 1.881 0 40 DDAB C[C@H](C(=O)Nc1cc(C(N)=O)ccc1CN(C)C)n1cccn1 72292754 FLLOEWCFMZNUPP-LLVKDONJSA-N 315.377 1.243 0 40 DDAB CCc1cccc(CC)c1NC(=O)CSc1nncn1N 4538687 KADUQHXGLHSEJC-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(S(C)(=O)=O)cc1 24213361 QKYWDYUBUNRBMT-SNVBAGLBSA-N 320.370 1.269 0 40 DDAB C[C@H](NC(=O)NCC1(N(C)C)CCCCC1)c1nncn1C 43108837 VNZBQYLNUBAZHM-LBPRGKRZSA-N 308.430 1.440 0 40 DDAB COc1ccccc1CCNC(=O)N[C@H](C)c1nncn1C 43293597 HRELKYGPDVUSRX-LLVKDONJSA-N 303.366 1.427 0 40 DDAB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C 24926920 OUYBDEBPOICVBM-CQSZACIVSA-N 318.329 1.373 0 40 DDAB Cc1cnc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)o1 107059166 MWAWQKMPIZIULW-NHYWBVRUSA-N 306.366 1.135 0 40 DDAB Cc1nnc([C@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 84291323 LSQWDZVDFXFTTI-WPRPVWTQSA-N 304.354 1.141 0 40 DDAB COc1ncccc1NC(=O)NC[C@H](O)COc1ccccc1 48287343 LKLVHWGCHOIQOY-LBPRGKRZSA-N 317.345 1.652 0 40 DDAB COC[C@@H](C)NC(=O)CCc1c(C)nc2cc(C)nn2c1C 27471642 WUJGDSWEECIPOI-LLVKDONJSA-N 304.394 1.738 0 40 DDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)cc2)CC1 58169875 QXLSRBCSIRFHFZ-GFCCVEGCSA-N 323.368 1.927 0 40 DDAB C[C@@H](SCc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 58295328 ZMQDQARVQUZJQA-UKRRQHHQSA-N 308.447 1.755 0 40 DDAB Cc1ccc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)o1 44911488 VPLTZLJZEFGKBY-ZIAGYGMSSA-N 308.378 1.055 0 40 DDAB NC(=O)NC(=O)CCN1CCC(CCc2ccc(O)cc2)CC1 44906971 BYDJBFTYIHZOSC-UHFFFAOYSA-N 319.405 1.622 0 40 DDAB CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3C(C)C)n(C)c1=O 10386925 FEVJVFBDXBLWRA-SNVBAGLBSA-N 318.381 1.082 0 40 DDAB CCOC(=O)C1=C(CSc2ccc(O)cc2)NC(=O)NC1 37995767 NIZBCXWBQXCCDJ-UHFFFAOYSA-N 308.359 1.614 0 40 DDAB COCCCNC(=O)CN(C)C(=O)CCc1ccc(C)cc1C 58354910 IGAGAGJBZWPIKX-UHFFFAOYSA-N 320.433 1.847 0 40 DDAB C[C@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)[C@@H](C)CO1 28058241 CRQAKRQZUBGBHM-STQMWFEESA-N 323.418 1.475 0 40 DDAB O=C(NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 58406143 NMEYJGWYPYNWSE-HUUCEWRRSA-N 302.374 1.586 0 40 DDAB COc1ccccc1C1(CNC(=O)[C@@H]2CCOC2)CCOCC1 58414441 WCTQLWYTMXILCD-CQSZACIVSA-N 319.401 1.896 0 40 DDAB O=C(CN1CCc2ccccc21)NCC(=O)OCc1ccccc1 58402537 HMJBOQVCHBTNDR-UHFFFAOYSA-N 324.380 1.909 0 40 DDAB COc1ncccc1CNC(=O)NC[C@@H]1Cc2ccccc2O1 28407834 WKYBWUWIZZWILQ-AWEZNQCLSA-N 313.357 1.893 0 40 DDAB C[C@@H]1CN(c2ccc(Br)cn2)CCS1(=O)=O 97142369 VJCSSFKCCJYYRL-MRVPVSSYSA-N 305.197 1.467 0 40 DDAB CN(C)C(=O)[C@@H]1[C@H]2NC(=O)N[C@@]1(C)Oc1ccc(Cl)cc12 106812022 QYXZUWYFVCJEKZ-MJVIPROJSA-N 309.753 1.507 0 40 DDAB O=C(Nc1cccnc1-n1cccn1)N[C@@H]1CCCCNC1=O 45667152 ONGVZHCCLZZMTM-GFCCVEGCSA-N 314.349 1.058 0 40 DDAB Cc1ccc(C)c(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 59423288 MOJKBDYSDCCCEH-ZDUSSCGKSA-N 310.419 1.043 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1 46198033 OEOFEFHAAGEEDO-HIFRSBDPSA-N 317.389 1.905 0 40 DDAB CCn1ncc(Cl)c1CNS(=O)(=O)c1c(C)n[nH]c1C 2741038 HBNCMSVJSUBDRQ-UHFFFAOYSA-N 317.802 1.375 0 40 DDAB COC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71286191 ANMCAHVTGSLBSX-VXGBXAGGSA-N 321.329 1.777 0 40 DDAB NC(=O)CC1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 49393900 BJWJTOJKWNZJIN-UHFFFAOYSA-N 300.402 1.832 0 40 DDAB COCc1cc(N[C@@H]2CN(c3ccccc3)C2=O)n2ncnc2n1 96011342 PHKIKQGMGLTANN-CYBMUJFWSA-N 324.344 1.098 0 40 DDAB Cc1c(C(=O)O[C@@H](C)CN2CCOCC2)cnn1C(C)(C)C 96010300 KCRSZKXOBUYOBY-LBPRGKRZSA-N 309.410 1.824 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccsc2)CC1 13698174 UWJHGVRBXRIYCW-UHFFFAOYSA-N 302.421 1.036 0 40 DDAB Cc1cccc(-n2nnnc2S[C@@H]2CCCCNC2=O)c1 14184659 RBJXFNXMIXXYDE-GFCCVEGCSA-N 303.391 1.732 0 40 DDAB CCN(CC(=O)N(C)C)C[C@@H](O)COc1cc(C)cc(C)c1 65608139 FUGXXDYDUSPTRR-OAHLLOKOSA-N 308.422 1.453 0 40 DDAB CNC(=O)c1nn(CN2CCC[C@H](C)C2)c(=O)c2ccccc12 14202630 MCWVZWZDTJPYPA-LBPRGKRZSA-N 314.389 1.446 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(F)c2)C1 66849004 JAGGUJHZCJZBRR-MFKMUULPSA-N 309.341 1.043 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C)C1 15423775 JEALQZDEUJLJKL-SECBINFHSA-N 303.405 1.955 0 40 DDAB C[C@@H]1C[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)CN1C1CC1 97034041 BOCJQDLNPGIMHA-DOMZBBRYSA-N 316.449 1.884 0 40 DDAB O=C(Nc1nc[nH]n1)c1cnc(-c2ccc3c(c2)OCO3)s1 71796426 DEAAKNNSAGOFDB-UHFFFAOYSA-N 315.314 1.909 0 40 DDAB COCC[C@@H](C)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 96425099 VRUPCUFKECYRQT-CJNGLKHVSA-N 324.396 1.740 0 40 DDAB CO[C@@H](CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(C)C 80602737 CWCMZOSXGQMXHI-KBPBESRZSA-N 310.398 1.855 0 40 DDAB C[C@@H]1Sc2ccc(C(=O)N3CCN(C)CC3)cc2NC1=O 9591938 VUOXPMBGGYRMDT-JTQLQIEISA-N 305.403 1.507 0 40 DDAB CNC(=O)NC(=O)[C@H](SC(=S)N(C)C)c1ccccc1 7737426 ZOHYLBJFVSOAKW-SNVBAGLBSA-N 311.432 1.763 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cccn1 71833020 TTXIKZFPWVRHLO-LBPRGKRZSA-N 319.796 1.841 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC(Nc2cccnn2)CC1 71863347 OESMCKGEYQUBDF-UHFFFAOYSA-N 323.360 1.465 0 40 DDAB COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 8245155 RYKGZUUMWFDFRV-GHMZBOCLSA-N 320.345 1.237 0 40 DDAB CCN(CC)CCN[C@H](CC(=O)Nc1ccc(O)cc1)C(=O)O 27460327 OYTCMZGBGAFTPX-CQSZACIVSA-N 323.393 1.105 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1 72269389 FBWVPLHDXFXMSI-UONOGXRCSA-N 308.447 1.982 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 8586306 PYGKQVPPAUWISY-NSHDSACASA-N 319.405 1.173 0 40 DDAB biogenic Cc1ccc(/C=C/C(=O)N2CCCN(CC(N)=O)CC2)cc1 69869429 PIIDSFFHBMHQDO-BQYQJAHWSA-N 301.390 1.028 0 40 DDAB COCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 8774581 FMESHMHTXWLBNH-UHFFFAOYSA-N 304.268 1.198 0 40 DDAB Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCCc3occc32)c1C 95394726 BUCDETZMSAOWCF-LBPRGKRZSA-N 301.346 1.798 0 40 DDAB CC(C)n1cc([C@H](C)NC(=O)N2CCC[C@H](CC(N)=O)C2)cn1 95405937 ONQGLIIFSCDLQD-QWHCGFSZSA-N 321.425 1.822 0 40 DDAB CCn1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cn1 85455988 FVTCYPCIXKOJRY-KBPBESRZSA-N 308.426 1.522 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ncco1 95942349 SOKRKBLGMJHIRT-UHFFFAOYSA-N 308.382 1.831 0 40 DDAB CCc1ncc(NC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 95972427 GYLUOQBWZWESKY-VHSXEESVSA-N 314.411 1.324 0 40 DDAB O=C(c1ccc(Br)cc1)N1CCN(C2CC2)C(=O)C1 74812436 BKQBAFLTIGCMEQ-UHFFFAOYSA-N 323.190 1.896 0 40 DDAB COc1ccc(CNC(=O)Nc2ccn(CCN(C)C)n2)cc1 75126880 OIYGJWMGPULECI-UHFFFAOYSA-N 317.393 1.775 0 40 DDAB CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@]2(CCOC2)C1 89969283 XQDKMPRUOVGPEK-INIZCTEOSA-N 324.446 1.866 0 40 DDAB CC[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)CCO1 66374007 BPNHGEQLSHBZFT-LLVKDONJSA-N 306.391 1.795 0 40 DDAB COc1ccc(C)cc1CC(=O)Nc1c[nH]nc1[C@H]1CCNC1 1549744071 HYQLTQFPWJNAGZ-LBPRGKRZSA-N 314.389 1.985 0 40 DDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc(C)c(F)c2)n1 38717783 FFICMQHPMHQDGB-UHFFFAOYSA-N 318.352 1.702 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1OC 332972 CNNIZHGZVLYWJQ-ZDUSSCGKSA-N 320.345 1.895 0 40 DDAB biogenic COc1ccc(Sc2nnc(C(F)(F)F)n2N)c(N)c1 78406644 GHDFTRVXEOWIOQ-UHFFFAOYSA-N 305.285 1.753 0 40 DDAB Cn1ccc(N2CCC[C@H](Nc3cnn(C(C)(C)C)c3)C2=O)n1 186266618 AMXOJUMCAUEBEY-ZDUSSCGKSA-N 316.409 1.979 0 40 DDAB COCCN1CCC[C@@H]1c1nccnc1Nc1cnccn1 72363491 SCNNVCNMMJLZLF-GFCCVEGCSA-N 300.366 1.794 0 40 DDAB CN1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 72871541 UTNQWQYGSDIFLX-UHFFFAOYSA-N 301.434 1.897 0 40 DDAB CCOC[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218525829 RRFKYUCXGORNGX-HZSPNIEDSA-N 317.838 1.975 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1 183130159 IGLNNDDBBZZTNQ-ZDUSSCGKSA-N 312.435 1.752 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)cn1 72239684 BJUNDCFCHUJWLW-LBPRGKRZSA-N 304.375 1.611 0 40 DDAB O=C(NCCSC1CCOCC1)[C@@H]1COc2ccccc2O1 238875314 NWXMQAUITDFSFD-HNNXBMFYSA-N 323.414 1.855 0 40 DDAB Cc1ccc(CCCC(=O)N[C@H](C)C(=O)N2CCOCC2)s1 79442289 USQKCKLOQYIXRW-CYBMUJFWSA-N 324.446 1.743 0 40 DDAB CC[C@H](C)NC(=O)Cn1cc(COc2ccccc2OC)nn1 227160354 YDEMLALMPIGMDH-LBPRGKRZSA-N 318.377 1.780 0 40 DDAB Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)CO 133395469 CTVWRVWPPXKATM-QMMMGPOBSA-N 308.197 1.417 0 40 DDAB C[C@](O)(CNc1ccnc2c(F)cccc12)CN1CCOCC1 225589889 MMIYZIHKSKBZGP-KRWDZBQOSA-N 319.380 1.869 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058306 CZKZJUQMJPBEAJ-JWINVHKUSA-N 321.417 1.728 0 40 DDAB Cc1noc(CCNC(=O)N[C@H]2CCOc3c(F)cccc32)n1 195574773 ZASCSTHMTHBXER-LBPRGKRZSA-N 320.324 1.883 0 40 DDAB Cc1cc(S(=O)(=O)NC(=O)c2cccnc2)cc(C)c1F 195576450 TWMSCVWAOLXPOS-UHFFFAOYSA-N 308.334 1.956 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1cccnc1)C2 96215154 ZDRBQCLIQDVPJE-HNNXBMFYSA-N 323.418 1.112 0 40 DDAB CCN1[C@H]2CCN(C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145744 FRFREFZVDVREFS-STQMWFEESA-N 310.419 1.552 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]21 96043323 VJCYUFKSYWAOKO-OWCLPIDISA-N 306.381 1.799 0 40 DDAB c1cncc(CN2CCO[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)c1 96218245 MICHCAPLDKJRIV-RBUKOAKNSA-N 324.428 1.809 0 40 DDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)N1CC1CC1 96056562 HYJLBYHQMJAMKO-HUUCEWRRSA-N 306.406 1.415 0 40 DDAB CCc1cc(CNC(=O)NCc2cccnc2N(C)C)on1 96421433 GOWYIMFHTMRVDL-UHFFFAOYSA-N 303.366 1.697 0 40 DDAB O=C(NCc1ccsc1)NCC1CCS(=O)(=O)CC1 96484947 BBWGNEYVZSLWGN-UHFFFAOYSA-N 302.421 1.372 0 40 DDAB O=C(CCO)N1CC[C@]2(C1)C(=O)N(CC1CC1)c1ccccc12 96244844 SMFCXTBOQBFVKT-GOSISDBHSA-N 314.385 1.296 0 40 DDAB OC[C@H](CNc1ncc(Br)cn1)Cc1ccccn1 96455815 DYWNIIGKPBJCAX-JTQLQIEISA-N 323.194 1.897 0 40 DDAB Cc1ccccc1C[C@H](C)NC(=O)CSc1nnc(N)n1C 96428842 PYZTZHQOFFHNGQ-NSHDSACASA-N 319.434 1.545 0 40 DDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)o1 96208805 DRLSMZKSEGXGEC-WBVHZDCISA-N 306.406 1.369 0 40 DDAB Cn1cccc1CN1CC2(CCN(C(=O)c3cccnc3)C2)C1 96202727 ZLYBKQSXHVBICV-UHFFFAOYSA-N 310.401 1.768 0 40 DDAB Cc1ncsc1CN1Cc2ccnn2[C@H](CC(=O)N(C)C)C1 247973541 IAFXXZICGIAOTC-CYBMUJFWSA-N 319.434 1.683 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]3CNCC[C@H]32)cc1 257336970 YQVUDWYUAXUYEO-XJKSGUPXSA-N 324.446 1.848 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)cn1 257253847 KAMQIGAAVODUBS-BRWVUGGUSA-N 317.433 1.888 0 40 DDAB CNC(=O)c1cc(C[C@@H]2CCCN(c3ccncn3)C2)ncn1 257269233 MPDIAYJCZULSOV-LBPRGKRZSA-N 312.377 1.085 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3cccnn3)CCO2)n1 257338270 YWSCNEVFZPLJDZ-AWEZNQCLSA-N 313.361 1.151 0 40 DDAB COCC(=O)N1CC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257274221 NKBIOTPUZFTJMZ-CYBMUJFWSA-N 300.362 1.509 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cnc(C(C)C)nc2)[C@H]1O 257324493 WOWZJKULWRUDER-MGPQQGTHSA-N 307.394 1.600 0 40 DDAB Cc1nccn1CC(=O)NCc1ccnc([C@@H]2CCCO2)n1 257283600 OYYBTIYVMDPVJC-ZDUSSCGKSA-N 301.350 1.149 0 40 DDAB O=C(c1ccc[nH]1)N1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 253370666 UMSBTQWJDWUKJV-VNHYZAJKSA-N 317.389 1.257 0 40 DDAB CNS(=O)(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 285285902 SOVLIEYPVCGFGN-UHFFFAOYSA-N 310.419 1.830 0 40 DDAB Cc1ccc(NC(=O)C(C)(C)O)cc1N1CC[C@H](N(C)C)C1 390835609 SJHYKCPJJGUCBJ-AWEZNQCLSA-N 305.422 1.845 0 40 DDAB COc1ccc2ccccc2c1CNC[C@@H]1COC[C@@H](O)[C@H]1O 585286556 KYZABPVELZPEAJ-QBIMZIAESA-N 317.385 1.306 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@](CO)(Cc3ccccc3)C2)n1 585275254 BBUDXZYCCMZUBA-SFHVURJKSA-N 313.401 1.904 0 40 DDAB CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@H]2CCCCN2C1 72310138 NLXXAJZFVOKYJU-HUUCEWRRSA-N 309.454 1.626 0 40 DDAB O=C(c1cccnc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986144 XKNWMZOIFDTQOZ-UHFFFAOYSA-N 324.384 1.993 0 40 DDAB Cc1ccc(OCC2CCN(C(=O)[C@@H]3CCOC3)CC2)nn1 1776000449 DJKRODZZJZNBHP-CQSZACIVSA-N 305.378 1.439 0 40 DDAB CS(=O)(=O)C1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCCC1 77154904 PZYSXFUPIRVGKC-NEPJUHHUSA-N 303.424 1.011 0 40 DDAB COc1ccc(OCCNC(=O)c2ccc(C)[nH]c2=O)cc1 75118289 WFEJOFBTHKOEPW-UHFFFAOYSA-N 302.330 1.501 0 40 DDAB CCCS(=O)(=O)NCc1ccccc1CN1CCCC1=O 57005018 LOPNSTGNJSQNGB-UHFFFAOYSA-N 310.419 1.638 0 40 DDAB COCCNC(=O)NC(=O)CN1CCc2sccc2[C@H]1C 57373709 CBRJPYBFMFDPRD-SNVBAGLBSA-N 311.407 1.139 0 40 DDAB COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(C)n2)C1 78732913 SYHLYUSBHYIEGZ-CYBMUJFWSA-N 306.366 1.420 0 40 DDAB O=C(CSc1nnc(S)s1)NN1Cc2ccccc2C1 90128980 VHLGAMJUAUPMMK-UHFFFAOYSA-N 324.456 1.966 0 40 DDAB CSc1ncccc1C(=O)N1CC[C@H](S(C)(=O)=O)C1 96098072 FPUNJEUIVFOPFI-VIFPVBQESA-N 300.405 1.063 0 40 DDAB CCN1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 42622985 JYERAOVQLAQYEI-UHFFFAOYSA-N 320.368 1.925 0 40 DDAB NS(=O)(=O)CC1CCN(Cc2ccncc2Cl)CC1 89884895 YAEVHFRBFPWFET-UHFFFAOYSA-N 303.815 1.236 0 40 DDAB COCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 15272597 YXTWJOUVYZWWHO-UHFFFAOYSA-N 308.353 1.441 0 40 DDAB CCCC(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19501312 PQFWDOYHRKPOLV-GFCCVEGCSA-N 318.421 1.676 0 40 DDAB O=C(c1ccco1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206690875 ZNYHHFBEHWPFIW-GFCCVEGCSA-N 309.343 1.702 0 40 DDAB NCC(=O)N1CCC(c2ccnc(Nc3nccs3)n2)CC1 643550341 CMQAWAHBSICVHR-UHFFFAOYSA-N 318.406 1.341 0 40 DDAB CCC(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037841117 WTFLMKDVQAPSPV-QGZVFWFLSA-N 320.364 1.960 0 40 DDAB CCOC[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2cn(C)nc21 1614933476 PFNLROLDXWHMCJ-ZDUSSCGKSA-N 307.394 1.188 0 40 DDAB COc1cnc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)nc1 2087127134 UEXCUAABEAVIBD-GFCCVEGCSA-N 306.410 1.959 0 40 DDAB C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@]12CCN(c1cccnc1)C2=O 2055754574 BRZYAMSEXBDQTH-FZKQIMNGSA-N 324.384 1.925 0 40 DDAB CCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055714900 XEEYEOSDZXKSJU-LLVKDONJSA-N 304.394 1.254 0 40 DDAB Cn1c(=O)c2c(NCc3cccs3)ccnc2n(C)c1=O 22767817 YNZASGDKAVEHMS-UHFFFAOYSA-N 302.359 1.306 0 40 DDAB COC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 30836454 ZPUXYJGKILIJRK-UHFFFAOYSA-N 312.391 1.717 0 40 DDAB CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 539975 XWYTZJYDSLCDCZ-ZXFNITATSA-N 319.401 1.910 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 40093751 CPTNNTWYPFKCDO-CYBMUJFWSA-N 319.471 1.057 0 40 DDAB CC(C)CCNC(=O)CS(=O)(=O)Cc1nc(C2CC2)no1 40106354 XZIXEMSNVXMVJY-UHFFFAOYSA-N 315.395 1.024 0 40 DDAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 40466557 FPAHMLZZSWNLHK-LBPRGKRZSA-N 308.403 1.660 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(-n2cncn2)nc1 31728593 OVHIQQZQWBUIDS-MRVPVSSYSA-N 315.255 1.568 0 40 DDAB O=c1[nH]c(Cn2nnc(-c3cccc(F)c3)n2)nc2ccccc12 31733966 XPJQFXPTRLYNFL-UHFFFAOYSA-N 322.303 1.764 0 40 DDAB C[C@@H](CNC(=O)c1cnc2ccccc2n1)N1CCOCC1 40509879 SKHVNMPHTCFTMX-LBPRGKRZSA-N 300.362 1.080 0 40 DDAB Cc1cc(NC(=O)COc2cccc(S(C)(=O)=O)c2)n(C)n1 40543411 IQVIYEFULHUCPP-UHFFFAOYSA-N 323.374 1.150 0 40 DDAB CCn1ncc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)c1C 20607870 TVWQMUXSWQLDPJ-GFCCVEGCSA-N 302.338 1.265 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1Cl 32687033 XGOUADFEKXDELP-SNVBAGLBSA-N 321.764 1.078 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)o2)C1 41128037 MSHZOANLNGAFBS-BYDTYLDUSA-N 313.151 1.389 0 40 DDAB CN(C)C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 32923554 AAZDMDHUUGTKQV-UHFFFAOYSA-N 303.288 1.299 0 40 DDAB C[C@H](NC(=O)NCc1nncn1-c1ccccc1)[C@H]1CCCO1 41371099 VXNXFHQVORTXMO-GXTWGEPZSA-N 315.377 1.634 0 40 DDAB Cc1cc(NC[C@@H](O)COc2cccc(F)c2)n2ncnc2n1 76778765 IGMGYSGOUSTJNY-GFCCVEGCSA-N 317.324 1.424 0 40 DDAB CC(=O)N1CCC2(CC1)NC1(CCCC1)C(=O)N2CC(C)C 83018069 VFGBTLKFFADFIQ-UHFFFAOYSA-N 307.438 1.726 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)N3CC[C@H](C(N)=O)C3)sc2C1 47753056 NASNPFRWOORMLY-BDAKNGLRSA-N 308.407 1.607 0 40 DDAB CSC[C@H](C)C(=O)NCC1(N2CCOCC2)CCCC1 78997803 MVCFEVATQQYNGR-ZDUSSCGKSA-N 300.468 1.747 0 40 DDAB C[C@H]1CN(Cc2cc(=O)n3nccc3[nH]2)[C@H](c2ccccc2)CO1 78950612 GHXPOIJYGVKNKD-BBRMVZONSA-N 324.384 1.985 0 40 DDAB C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 79158579 QXJIWDIBQZOABC-XOKHGSTOSA-N 317.433 1.818 0 40 DDAB CC(C)N(C(=O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1)c1ccccc1 79106805 LDEDUMJNPRNESV-UKRRQHHQSA-N 319.405 1.003 0 40 DDAB Cn1c(=O)c2nc(NCC3CCCCC3)sc2n(C)c1=O 1646430 RPFNTJJRMTYYQO-UHFFFAOYSA-N 308.407 1.686 0 40 DDAB Cc1cc(C)nc(NCCC(=O)Nc2ccc(C(N)=O)cc2)n1 79464290 HOGUJHFZWMFZHK-UHFFFAOYSA-N 313.361 1.633 0 40 DDAB Cc1c(Cl)cnn1[C@H](C)C(=O)NCCCN1CCCC1=O 2781608 UEPIHKCGNKSXSD-LLVKDONJSA-N 312.801 1.535 0 40 DDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 3906537 QSQNZABPAGTEFF-MMDVMMEASA-N 315.325 1.919 0 40 DDAB COc1cccc(CO[C@@H](C)C(=O)NCCn2ccnc2)c1 42847206 GYGLWBNSOSXTMY-ZDUSSCGKSA-N 303.362 1.613 0 40 DDAB CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1CC 4497950 WHKFWOSNIRUQSY-ZDUSSCGKSA-N 319.405 1.624 0 40 DDAB Cn1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 24474012 DHJXADJLUOBNKI-SNVBAGLBSA-N 302.309 1.551 0 40 DDAB CCN(CC)C(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 6891302 RRLWKGXWBKOHIU-UHFFFAOYSA-N 312.435 1.874 0 40 DDAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCc1cccnc1 24962654 VYXQBIXWGYRIKK-UHFFFAOYSA-N 323.349 1.522 0 40 DDAB Cc1cc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n(C)n1 43434705 DDKDDOJOOYAMJF-CYBMUJFWSA-N 309.414 1.207 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NOCc1ccccc1 25285170 VABIDSALOKZWKX-UHFFFAOYSA-N 324.340 1.430 0 40 DDAB C[C@@H]1CN(C(=S)c2cn(-c3ccccc3O)nn2)C[C@@H](C)O1 1417906 SWLZYTFWYHNITN-GHMZBOCLSA-N 318.402 1.758 0 40 DDAB COc1cc(C)c(CN2CCn3c(CO)nnc3C2)cc1OC 57822951 MUBHQFVCSBXOMM-UHFFFAOYSA-N 318.377 1.112 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)NCc1cc(OC)cc(OC)c1 56419087 XRSLEZBXCJEWKR-NSHDSACASA-N 323.393 1.418 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35284165 DQCPVFKYHLINHI-SWLSCSKDSA-N 319.380 1.564 0 40 DDAB COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2nccs2)c1 57396562 CLTJDNSYEOQXKA-ZDUSSCGKSA-N 319.386 1.838 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 108431177 ZSOCPTRJCPOECW-LSDHHAIUSA-N 315.377 1.405 0 40 DDAB Cc1cc(NC(=O)CNc2ccc(Cl)c(C(N)=O)c2)on1 26786217 JUIKGJUYKNNLKS-UHFFFAOYSA-N 308.725 1.786 0 40 DDAB COC(=O)c1ccc(CNC(=O)CN2C[C@@H](C)OC[C@@H]2C)cc1 27640337 OGDWGLWAFUXIJF-QWHCGFSZSA-N 320.389 1.199 0 40 DDAB C[C@H](NC(=O)[C@@H](C)OC(=O)C1=COCCO1)c1ccccc1 12796383 NPHDFXNKMZAONS-NWDGAFQWSA-N 305.330 1.684 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1 58277557 RSRQSUPGSSXXDJ-ZDUSSCGKSA-N 310.419 1.484 0 40 DDAB CCc1nnsc1C(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 44915446 IZDLIIADIINYQK-GARJFASQSA-N 312.439 1.328 0 40 DDAB CC(=O)N1CCN(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)CC1 44971709 TYFYSZZHASEVRS-GFCCVEGCSA-N 321.425 1.010 0 40 DDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC(C)C 3357845 PUPYQGWEUPEPQD-UHFFFAOYSA-N 300.380 1.119 0 40 DDAB C[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCO1 27891291 VMLABGVWSZAGPH-NHYWBVRUSA-N 318.373 1.634 0 40 DDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccccn2)C1 58308509 XFOGMKQUSLFIBK-LLVKDONJSA-N 312.395 1.017 0 40 DDAB CC[C@@H](O)CN(CC(=O)NC(=O)NC(C)(C)C)c1ccccc1 58331809 NFIUZOVKSFCCLP-CQSZACIVSA-N 321.421 1.888 0 40 DDAB COc1c(CNCC(=O)NCC(F)(F)F)c(C(C)C)nn1C 58426189 YKPCQYCOQMGCDJ-UHFFFAOYSA-N 322.331 1.320 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCC(c3cc[nH]n3)CC2)C[C@@H](C)O1 58229728 IFXSRLUHLVXPNG-MGPQQGTHSA-N 320.437 1.613 0 40 DDAB Cn1nnc2cc(C(=O)O[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)ccc21 110609569 IKLANMQESYWBLQ-LEWSCRJBSA-N 301.346 1.939 0 40 DDAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCOCC1 29766359 RTPIIWHAAARGAB-UHFFFAOYSA-N 302.374 1.856 0 40 DDAB C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2C(N)=O)CCO1 29892241 NCZBSRDLOVQMRR-SECBINFHSA-N 312.753 1.065 0 40 DDAB Cc1cc(Cl)ccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 11990879 AUTIOUSOPAPWAX-SNVBAGLBSA-N 323.823 1.577 0 40 DDAB COc1cc(CNCc2ccccc2)ccc1OCC(N)=O 2648415 GKBAGKCPRDOJPJ-UHFFFAOYSA-N 300.358 1.849 0 40 DDAB C[C@@H](Sc1nncn1C)C(=O)NCc1ccc2c(c1)OCO2 2652850 WZUDRHZLZPZJRU-SECBINFHSA-N 320.374 1.341 0 40 DDAB O=C(NS(=O)(=O)c1sccc1Cl)[C@H]1CC1(F)F 408500613 PYGJSHXOCGDFMG-SCSAIBSYSA-N 301.723 1.862 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(O)c1)C2 306137619 RBMOWZNAEHURLB-CYBMUJFWSA-N 304.390 1.575 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2Cc1ccc(Cl)cc1 13624544 MSUJFYAJWJZDLK-WDEREUQCSA-N 316.835 1.196 0 40 DDAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CC(N)=O)C1 84686336 REWYKHYMDBXQEQ-OKILXGFUSA-N 317.433 1.656 0 40 DDAB Cc1ncsc1C(=O)NCCNC(=O)Cc1ccccc1 65568865 GAJNQMQTJSJNSO-UHFFFAOYSA-N 303.387 1.540 0 40 DDAB COc1cc(C(=O)NC2CCC(C)CC2)ccc1OCC(N)=O 14190569 PYUPDPQYDPCPSQ-UHFFFAOYSA-N 320.389 1.868 0 40 DDAB CN(Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccccc2)n1 65612233 LIJUMIRYJFMISN-KRWDZBQOSA-N 323.400 1.833 0 40 DDAB CCCCCn1cnnc1S[C@@H](C(=O)NC(N)=O)C(C)C 6851382 RIVYPBPQGCYAOW-SNVBAGLBSA-N 313.427 1.780 0 40 DDAB C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N1CCCC1 7036109 FEYIAWNMQDRKJS-SNVBAGLBSA-N 319.390 1.471 0 40 DDAB COc1ccc([C@@]2(C)NC(=O)N(C[C@H]3CCCO3)C2=O)cc1 7081253 KALCRTBXALCGDT-CZUORRHYSA-N 304.346 1.641 0 40 DDAB C[C@H](C(=O)NCCc1ccncc1)N1Cc2ccccc2C1=O 80330120 HZXZWEPHXXBFST-CYBMUJFWSA-N 309.369 1.785 0 40 DDAB O=C(C[C@@H]1CCCO1)N1CCN(C(=O)Oc2ccccc2)CC1 80383689 BKAOCCOAOHUDCO-HNNXBMFYSA-N 318.373 1.899 0 40 DDAB O=C1NC2(CCCCC2)C(=O)N1C[C@H](O)COc1ccccc1 9591458 CMLGAGASPQYOPF-ZDUSSCGKSA-N 318.373 1.681 0 40 DDAB Cc1occc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 8133011 SKQJJSDFNVOUSG-UHFFFAOYSA-N 323.374 1.600 0 40 DDAB CCCc1nc(CN2CCO[C@@H](Cn3cncn3)C2)cs1 70018269 FCAUNWYWYRHVEH-CYBMUJFWSA-N 307.423 1.588 0 40 DDAB Cc1nc(N2CCOCC2)sc1CNCCn1cccn1 71853279 AXLFKIIKPGJPJQ-UHFFFAOYSA-N 307.423 1.274 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)CCOC(C)C)CC2)n1 69518104 XRYJFMDOFZHEHY-UHFFFAOYSA-N 322.409 1.339 0 40 DDAB CCN1C[C@@H](C(=O)N[C@@H]2CCCOc3ccccc32)CC1=O 69629708 BYPMOSWTQSOBQF-GXTWGEPZSA-N 302.374 1.885 0 40 DDAB Cc1n[nH]cc1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 69777317 QRAJQHBZCLQGAE-GFCCVEGCSA-N 324.450 1.672 0 40 DDAB Cc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C 17945688 FZGKQZOQADRBNX-UHFFFAOYSA-N 305.359 1.525 0 40 DDAB CN1CC[C@@H](CNC(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 97164740 CBDNRYQIAJAAHD-UONOGXRCSA-N 319.405 1.928 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[S@@](=O)C(C)(C)C1 88206032 QCZXRDUILUUKBF-BZQWVANASA-N 323.414 1.584 0 40 DDAB CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccn2ccnc2c1 95979694 XOYNNRYPUQAUJR-UHFFFAOYSA-N 309.391 1.230 0 40 DDAB C[C@@H](Cc1ccsc1)NC(=O)NCCc1nnc2n1CCC2 86370272 MZPXJJYCQCNSOM-NSHDSACASA-N 319.434 1.759 0 40 DDAB O=C1NC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)N1 89783542 NOPLSDVGSORCAY-CQSZACIVSA-N 305.353 1.288 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N2CC[C@H](c3ccccc3)C2)[C@H](C)CO1 76062167 ZKFXJTWPPWTIOF-FMKPAKJESA-N 324.446 1.830 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)c1cccs1 76092289 NHDZPHQNJQRZFT-LRDDRELGSA-N 324.446 1.863 0 40 DDAB O=C(NC[C@H]1CCC[C@@H]1O)c1cn(Cc2ccccc2)nn1 76060593 DGUHBOBUBDTWMS-HIFRSBDPSA-N 300.362 1.217 0 40 DDAB Fc1cnc(N2CCN(c3cnc4ccccc4n3)CC2)nc1 353274488 GYAUWPJFDUBXHS-UHFFFAOYSA-N 310.336 1.886 0 40 DDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(N(C)C)nc2)C1 1548977484 JFUVMEVDAHIYJX-CHWSQXEVSA-N 315.377 1.473 0 40 DDAB CC(C)n1cnc([C@H]2CNC[C@@]23CCN(CC2CC2)C3=O)c1 306136415 PSSZMIVMRVVOBT-PBHICJAKSA-N 302.422 1.780 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1 72238142 ZVVFDKUQZOAMQR-BXUZGUMPSA-N 310.419 1.810 0 40 DDAB CCc1ocnc1C(=O)NC[C@@H]1CN(C[C@H](C)CC)CCO1 1035320641 RIEOJGMJGDJKCZ-CHWSQXEVSA-N 309.410 1.714 0 40 DDAB O=S(=O)(NCC1OCCCO1)c1cnc2ccsc2c1 521394445 GXYATMSWXQAVCA-UHFFFAOYSA-N 314.388 1.338 0 40 DDAB O=C(NCc1ccccc1-n1cncn1)c1cnn2cc[nH]c12 71498200 VDUXIGOEZPEGAY-UHFFFAOYSA-N 307.317 1.173 0 40 DDAB COc1ccc(OC)c(-c2ccc(N3CCNCC3)nn2)c1 70458896 IXULOQZMJNEBQF-UHFFFAOYSA-N 300.362 1.570 0 40 DDAB O=C(CCNC(=O)c1cc2ccccn2c1)NCc1cccnc1 73103704 AXRGRBNIGNEUPJ-UHFFFAOYSA-N 322.368 1.771 0 40 DDAB Cc1nc([C@@H]2CCN2C(=O)c2cc[nH]n2)cc(N2CCCC2)n1 72387485 ZTPOXDPSFUAOBR-AWEZNQCLSA-N 312.377 1.696 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)c2cc3ccc(F)cc3[nH]2)CCO1 72379797 JAKBJAHUYRUHHW-OAHLLOKOSA-N 305.309 1.023 0 40 DDAB O=C1N[C@]2(CCCN(C(=O)c3cnccn3)C2)Nc2ccccc21 72347510 NRAQPCTWWYWSAC-KRWDZBQOSA-N 323.356 1.264 0 40 DDAB CSC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78122016 DLHFQDPKPOCSRI-HIFRSBDPSA-N 308.447 1.755 0 40 DDAB NC(=O)CSc1ccc(-c2ccc3c(c2)OCCO3)nn1 35315407 IBAYEHBINRRACA-UHFFFAOYSA-N 303.343 1.492 0 40 DDAB CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 74707368 WUUCJJHCYZRVGZ-UHFFFAOYSA-N 301.434 1.673 0 40 DDAB O=C(C1CC1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 77266220 KTHNAPIHQQAXQZ-OAHLLOKOSA-N 317.364 1.684 0 40 DDAB biogenic,in-vitro Cc1cnn(CCC(=O)NC[C@](C)(O)c2ccc(F)cc2F)c1 79350094 VDWKFBBLPMNKAZ-INIZCTEOSA-N 323.343 1.884 0 40 DDAB Cc1ccc2oc(=O)n(CCC(=O)N3CCC[C@H](N)CC3)c2c1 72159220 IXKCWECKBSGAAF-ZDUSSCGKSA-N 317.389 1.633 0 40 DDAB Cc1cccc(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)n1 195566818 UYMPETARBTZTOQ-HNNXBMFYSA-N 302.422 1.380 0 40 DDAB O=C(CCNc1ncccn1)NCc1ccc2c(c1)OCO2 45762572 YXRJIUBSBRXXNY-UHFFFAOYSA-N 300.318 1.324 0 40 DDAB CC(=O)[C@H](NC(=O)CN1CCC[C@@H](N2CCCC2)C1)C(C)C 195530713 BBUOFYLRNUXUCG-NVXWUHKLSA-N 309.454 1.276 0 40 DDAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3nccn3C)C[C@H]21 514290081 RRUFLKLGRJYURQ-HIFRSBDPSA-N 312.373 1.138 0 40 DDAB biogenic,in-vitro CCOc1ccnc(N2CCN(Cc3nc(C)cs3)CC2)n1 130551823 JXQFIHQBCIAWPB-UHFFFAOYSA-N 319.434 1.962 0 40 DDAB COc1ccc(-c2cnn([C@@H](C)C(=O)N3CCOCC3)c2)cc1 227163690 SUIGFPFEILIESU-ZDUSSCGKSA-N 315.373 1.979 0 40 DDAB CCN(C)c1ccccc1NC(=O)N(C)C[C@H](C)C(=O)NC 81629325 HHTYISSQHXPUHN-LBPRGKRZSA-N 306.410 1.989 0 40 DDAB Cc1cnc(CCN(C)S(=O)(=O)CCN2CCCC2)s1 192814888 YPLGVPHKSWZCOQ-UHFFFAOYSA-N 317.480 1.351 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3CC2CCOCC2)cn1 96056630 NZKWPHXVPAUBHH-HZPDHXFCSA-N 318.421 1.416 0 40 DDAB NS(=O)(=O)c1cccc(F)c1I 95630917 DYUUGFOXEVSQLK-UHFFFAOYSA-N 301.080 1.078 0 40 DDAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1 237773591 ILQJOTLMRRPAMQ-UHFFFAOYSA-N 312.288 1.438 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2 96208300 DXYCRNGBYGMBDH-HNNXBMFYSA-N 303.406 1.365 0 40 DDAB Cc1ccc(N2CCC[C@@H](NC(=O)c3cnccn3)C2=O)cc1 96425895 BGXSBBRQGQVMGW-CQSZACIVSA-N 310.357 1.710 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4cccnc4)C[C@H]3O2)n1 96058202 YGDHYEHFEIDTRC-IACUBPJLSA-N 314.345 1.765 0 40 DDAB CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnccc1C 96410750 PXXRRGUPDNRVCF-CYBMUJFWSA-N 304.394 1.319 0 40 DDAB O=C(CCN1CCO[C@H](c2nccs2)C1)NC1CCCC1 97200042 LTCQAFDLCFDYKE-ZDUSSCGKSA-N 309.435 1.965 0 40 DDAB O=C(c1cnccn1)N1CCc2ncnc(N3CCCC3)c2CC1 96058727 LGLRCFSJLJXBBO-UHFFFAOYSA-N 324.388 1.108 0 40 DDAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccno3)CC[C@@H]21 96185673 KRASADBDCUZERL-RDBSUJKOSA-N 315.377 1.106 0 40 DDAB CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)CCOc1ccccc1 96443669 IDWURFMQILHCKD-UKRRQHHQSA-N 304.390 1.829 0 40 DDAB Cn1cc(CN2CC[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cn1 96054166 UOTUXMABLNTXJW-CABCVRRESA-N 317.462 1.831 0 40 DDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cccnc2)o1 96115280 BFJPLPLEYCKSQW-LBPRGKRZSA-N 319.313 1.582 0 40 DDAB biogenic Nc1ccc(S(=O)(=O)NCCCCn2ccccc2=O)cc1 97375588 XSSJWCGKTHVONA-UHFFFAOYSA-N 321.402 1.189 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@]1(CN)COC 242547686 KSHXAXZOAQSFCB-KFWWJZLASA-N 313.419 1.187 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)ccn1 257254081 KBMGUSDSUJWSBN-HNNXBMFYSA-N 313.357 1.302 0 40 DDAB CC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)C[C@@]1(C)CO 257236949 HENQZFGMWZYTPJ-INIZCTEOSA-N 308.422 1.399 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257326954 WZGABAXAVQYGBY-LBPRGKRZSA-N 308.345 1.686 0 40 DDAB CNCC(=O)N1Cc2nccn2C[C@@H]1c1ccccc1OC 257270669 MVEVGTOTUQXMPY-CYBMUJFWSA-N 300.362 1.195 0 40 DDAB CCOc1ncccc1C(=O)N1CCOC[C@@H]1c1ccn[nH]1 257328913 XHOZIMVDCPDUII-CYBMUJFWSA-N 302.334 1.417 0 40 DDAB O=C(CCn1cnc2ccccc21)N1C[C@H](O)[C@]2(CCCO2)C1 257279047 OETXYKMTNGYNJQ-RDJZCZTQSA-N 315.373 1.179 0 40 DDAB O=C(O)c1ccccc1-n1cc(CN2CCCOCC2)cn1 257203982 ASMAHIYMORXHEX-UHFFFAOYSA-N 301.346 1.793 0 40 DDAB Cn1cc(CN2CCO[C@H](CCc3ccnc(N)c3)C2)cn1 257256820 KNAPLDCTYRYKFZ-OAHLLOKOSA-N 301.394 1.231 0 40 DDAB COc1ccc([C@H]2CN(Cc3ncc[nH]3)CCN2C(C)=O)cc1 257311778 UKYFLBOURRHXML-MRXNPFEDSA-N 314.389 1.824 0 40 DDAB Cc1cnc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)cn1 257268675 MMSHVUZXTMOVMR-AWEZNQCLSA-N 311.407 1.431 0 40 DDAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)CC2 262310124 PPXXBKGFYNBYPZ-UONOGXRCSA-N 305.330 1.212 0 40 DDAB C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccc2c(c1)OCCO2 263528300 VDWNHWFGYVXCLX-CMPLNLGQSA-N 305.330 1.783 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 575403183 FJYQVFUQMTWWFI-INIZCTEOSA-N 315.373 1.457 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)OC1 575405924 KYQYJFZGSXSESA-HZSPNIEDSA-N 308.422 1.422 0 40 DDAB COc1ccccc1NC(=O)NCc1cn(-c2ccncc2)nn1 585400845 GKRXRNHTRPENKL-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(Cc3cncnc3)CCO2)cc1 585277947 ZDTSQESVRBVFSL-SFHVURJKSA-N 313.401 1.591 0 40 DDAB COC(=O)C1(CNC(=O)c2noc(-c3ccc(F)cc3)n2)CC1 585141706 ZCHATDCFLJBPAF-UHFFFAOYSA-N 319.292 1.559 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCCc1ccc(OC)cc1 65609095 VYGRWOZYEZNYLP-CYBMUJFWSA-N 321.421 1.794 0 40 DDAB Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)on1 30701582 RVQNUHXTSSFVAJ-HNNXBMFYSA-N 315.373 1.786 0 40 DDAB Cc1nnc2n1CCN(C(=O)COc1ccc(F)cc1F)C2 69534304 IJTRVHOVTKWRBG-UHFFFAOYSA-N 308.288 1.286 0 40 DDAB COc1ccnc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1 71824786 AYBGVPFSMSSAQL-UHFFFAOYSA-N 316.365 1.068 0 40 DDAB CC(C)[C@H](C(=O)NCCCC(N)=O)N1CCc2ccccc2C1 71826795 KKAOPJQGSNINJP-QGZVFWFLSA-N 317.433 1.451 0 40 DDAB Cc1cnc2c(S(=O)(=O)NC[C@@H]3CCOC3)cccc2c1 45743027 DCJKWUZXILYRMY-LBPRGKRZSA-N 306.387 1.858 0 40 DDAB C[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCCO1 48079689 NURDFOMFBPPEGD-JSGCOSHPSA-N 320.393 1.607 0 40 DDAB CN1CCN([C@@H](CNC(=O)N2CCCC2)c2cccs2)CC1 48236277 UHMFTSXCKKAFKE-AWEZNQCLSA-N 322.478 1.842 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)Nc1ccc(N2CCOC2=O)cc1 56767358 SFNVUWMEZRCJJS-JTQLQIEISA-N 320.349 1.289 0 40 DDAB CNC(=O)c1ccc(CN(C(=O)Nc2cn[nH]c2)C2CC2)cc1 57029930 SFMICRDJOOOWOE-UHFFFAOYSA-N 313.361 1.966 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)NCc2c(C)cc(C)cc2C)CCO1 75582759 XYKMBLZAJZDGJH-HNNXBMFYSA-N 320.389 1.695 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N[C@H]2CCCCNC2=O)o1 42479095 VLWJQWQDZSBCEZ-ZDUSSCGKSA-N 307.394 1.520 0 40 DDAB CO[C@]1(CNS(=O)(=O)c2c(C)noc2C)CCSC1 96097656 NLWJLQHHYODAII-NSHDSACASA-N 306.409 1.092 0 40 DDAB Cc1cnc(C)c(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 301094292 UFUWJJARIKUJRM-AWEZNQCLSA-N 304.394 1.169 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)COc1ccc(C(=O)CC)cc1 5244795 MUXSWPMETXBUHT-LBPRGKRZSA-N 320.389 1.689 0 40 DDAB CCC(=O)N[C@@H]1CCCc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc21 12241463 KIISGLPRGQSRPU-SGMGOOAPSA-N 318.421 1.994 0 40 DDAB Cn1cncc1CN1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 643914597 RRCJNGCGWXMDDY-KRWDZBQOSA-N 319.380 1.365 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)c1C 22584949 BGNNUDZFQQLPNS-HNNXBMFYSA-N 319.405 1.333 0 40 DDAB COc1ccc([C@H](NC(=O)CN2CCN(C)CC2)C(C)C)cc1 29693634 MPMAJKDFGAAETA-GOSISDBHSA-N 319.449 1.756 0 40 DDAB O=C([C@@H]1CCOC1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390830601 MCXZFWNEKIGGLI-HUUCEWRRSA-N 323.414 1.411 0 40 DDAB O=C(N[C@@H]1C[C@H]2C[C@@H]1CN2Cc1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1565551442 QLAKBKPVMDSCOY-IKIFYQGPSA-N 313.401 1.053 0 40 DDAB COC(=O)[C@H]1[C@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4385905 RSGFIMJQUXHBNS-AXAPSJFSSA-N 320.320 1.483 0 40 DDAB O=C(CSc1nnc(-c2cccnc2)o1)NC[C@H]1CCCO1 6100411 DWHBBRUKMXITIT-LLVKDONJSA-N 320.374 1.519 0 40 DDAB Cc1nnc2n1N=C(Nc1ccc3c(c1)OCCO3)CS2 12427723 FDMTXOMRMWEGHZ-UHFFFAOYSA-N 303.347 1.737 0 40 DDAB COc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1F 585148916 OAZVESHKLWKDPS-UHFFFAOYSA-N 322.365 1.648 0 40 DDAB Cc1noc(C)c1C(=O)NCC1CCN(C(=O)N(C)C)CC1 618255686 HQAKJFGFCHCJLS-UHFFFAOYSA-N 308.382 1.415 0 40 DDAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 490297 QKTGECBOBFPOAE-KBAYOESNSA-N 318.417 1.849 0 40 DDAB biogenic COCCCNC(=O)CN1CCC[C@H](c2ncc(C)s2)C1 96406958 SYUNFRVJSQECOM-ZDUSSCGKSA-N 311.451 1.784 0 40 DDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1noc(-c2ccc(C)cc2)n1 40528931 YLFJHDBPBSYOJK-SNVBAGLBSA-N 323.374 1.094 0 40 DDAB CC(C)N1C[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O 40506258 GNEONKARACHCFF-OLZOCXBDSA-N 323.462 1.724 0 40 DDAB C[C@@H](C(=O)O)N1CCN(Cc2nc3ccccc3s2)CC1 51660288 BVGNLNHVVUCPDU-NSHDSACASA-N 305.403 1.887 0 40 DDAB COc1ccccc1-n1nnnc1S[C@H]1C[C@H](C)OC1=O 32736417 CMQLQFDPLLLIMW-KWQFWETISA-N 306.347 1.467 0 40 DDAB COC(=O)c1sccc1NC(=O)CCNC(=O)c1ccco1 32768229 ZYAIDWFYIURCTQ-UHFFFAOYSA-N 322.342 1.886 0 40 DDAB CN(C)c1nccc(NC2CCN(C(=O)c3ccco3)CC2)n1 77188382 VDQHOMNHWHTVOK-UHFFFAOYSA-N 315.377 1.852 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc(Br)cc1 19480899 JYOYWFUWFCOJOR-UHFFFAOYSA-N 313.195 1.511 0 40 DDAB Cc1nc(C)c(CCC(=O)Nc2cccnc2N(C)C)c(=O)[nH]1 78879861 MNUSKQGGQSRRNM-UHFFFAOYSA-N 315.377 1.419 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C[C@H](O)c3ccccc3)C2)n[nH]1 78900573 YHCPUDKUGNADAZ-BBRMVZONSA-N 314.389 1.422 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CCCc4cc(F)ccc43)nc21 54418217 VRPBIERNAIMEMO-UHFFFAOYSA-N 313.336 1.749 0 40 DDAB CC(C)CNC(=O)[C@H](C)Nc1ccc(NS(C)(=O)=O)cc1 23628791 DJLMCBVVEJHYLU-NSHDSACASA-N 313.423 1.631 0 40 DDAB NC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1F 6084628 YTTXTTYETQYNFV-UHFFFAOYSA-N 316.288 1.720 0 40 DDAB Cc1cc(NC(=O)NC[C@H]2COc3ccccc3O2)n(C)n1 43433384 FVWNXILHTROUGO-NSHDSACASA-N 302.334 1.690 0 40 DDAB CC(=O)N1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 34904582 JSRVGZDDSZGJPG-UHFFFAOYSA-N 300.362 1.709 0 40 DDAB CC(=O)NCCNC(=O)N[C@H]1CCC[C@@H]1Oc1ccccc1 95396228 IIXUHLYKKVQIFS-GJZGRUSLSA-N 305.378 1.422 0 40 DDAB O=C1CSc2sc3c(=O)n(C[C@H]4CCCO4)cnc3c2N1 27562771 FBADGHJFSKWFKR-SSDOTTSWSA-N 323.399 1.681 0 40 DDAB CCCNC(=O)NC(=O)Cn1c(-c2ccccc2C)noc1=O 58281564 HVAZUKFXNZLWOH-UHFFFAOYSA-N 318.333 1.048 0 40 DDAB O=C(CCNS(=O)(=O)c1cccc(F)c1)Nc1ccncc1 58299227 RUFVCEBKHPNMMY-UHFFFAOYSA-N 323.349 1.528 0 40 DDAB COc1ccc([C@H](O)CNC[C@@H]2CNc3ccnn3C2)cc1 58327831 GRGFADYYVMVAOR-IUODEOHRSA-N 302.378 1.257 0 40 DDAB CC[C@H](CO)NC(=O)NC1CCN(Cc2ccccc2)CC1 45027067 HOEVUGHEDLIHOT-OAHLLOKOSA-N 305.422 1.721 0 40 DDAB C[C@H]1CCCN(C(=O)Cc2csc(N3CCNC3=O)n2)CC1 58431967 UYQPNHXTROPQNB-NSHDSACASA-N 322.434 1.864 0 40 DDAB COc1ccc(Br)c(C(=O)N2CCOCC2)c1 37974810 TVNOBZZXKZKOLF-UHFFFAOYSA-N 300.152 1.930 0 40 DDAB COc1cc(C)c(S(=O)(=O)NC[C@H]2CCOC2)cc1OC 48325980 JQWVNYIJXGFJGF-LLVKDONJSA-N 315.391 1.327 0 40 DDAB Cc1nc(C)c(C(=O)N2CCN(c3ncccn3)CC2)s1 48332941 CYZZQNBWZKRLSJ-UHFFFAOYSA-N 303.391 1.512 0 40 DDAB Cc1[nH]c2c(C(=O)NCCCNS(C)(=O)=O)cccc2c1C 45347073 UCFWUCYHQOCZFR-UHFFFAOYSA-N 323.418 1.454 0 40 DDAB O=S(=O)(Cc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 45357736 YUOJILVEACOVRJ-LBPRGKRZSA-N 308.359 1.830 0 40 DDAB COc1cc(CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)ccn1 29197279 IENCOJJGMYZZBP-MEDUHNTESA-N 314.341 1.935 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)NC[C@@H]1CCCO1 29752846 DRNBHHXRCAUNIA-ZDUSSCGKSA-N 315.373 1.390 0 40 DDAB CCc1ccc(OCC(=O)NC[C@H](C)N2CCOCC2)cc1 29958474 FCILVOHTNWVZKY-AWEZNQCLSA-N 306.406 1.465 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)NCCCN1CCCCC1 46629469 VTEXHPCUKUDMMM-UHFFFAOYSA-N 318.417 1.993 0 40 DDAB C[C@@H]1CN(C(=O)[C@H](O)C2CCOCC2)C[C@@H](c2ccccc2)O1 72289537 SLWAPXIBPOXTFG-XOKHGSTOSA-N 319.401 1.763 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@H](C)n1cccn1)C(=O)Nc1cc[nH]n1 84294860 CSIAPDILLAUQJT-NWDGAFQWSA-N 318.381 1.337 0 40 DDAB O=C(C1CC1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005258 MEPKPQCHNLHFBY-CYBMUJFWSA-N 300.424 1.249 0 40 DDAB CC(=O)N1CCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 13637837 PHEGRILWIARXIP-UHFFFAOYSA-N 320.780 1.241 0 40 DDAB Cc1nc2sccc2c(=O)n1NC(=O)[C@@H](C)OCC1CC1 64781585 SIVWXPQGDPYHLB-MRVPVSSYSA-N 307.375 1.652 0 40 DDAB CC(=O)Oc1cccc(NC(=O)C[C@H]2SC(=N)NC2=O)c1 6074035 YOSIJNBQKPEPKG-SNVBAGLBSA-N 307.331 1.107 0 40 DDAB CCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6120226 CLWOJTCDDSKUOT-SECBINFHSA-N 314.363 1.004 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)Cn2ccnc2)cc1C 65410770 JZVQDDRDQADXOF-CYBMUJFWSA-N 323.418 1.957 0 40 DDAB Cc1nc2n(c1C)CCN(CCS(=O)(=O)c1ccccc1)C2 65474361 XLYIIAZGIXKRMR-UHFFFAOYSA-N 319.430 1.789 0 40 DDAB C[C@H](NC(=O)NC[C@@H](C)N(C)C)c1ccc2c(c1)CCC(=O)N2 65417455 FYJBVMWIDPQYEE-NEPJUHHUSA-N 318.421 1.882 0 40 DDAB C[C@H](CNC(=O)C(=O)NCCc1ccccn1)c1ccccc1 408708100 UVEZRISHYNLGBX-CQSZACIVSA-N 311.385 1.660 0 40 DDAB C[C@@H](NCC(=O)NCC(F)(F)F)[C@H]1COc2ccccc21 97112671 NLCJCPRIDRUGHA-MWLCHTKSSA-N 302.296 1.819 0 40 DDAB C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(-n2ccnc2)cc1 9338253 MJZMIHCYBOXRSZ-NSHDSACASA-N 309.329 1.447 0 40 DDAB O=C(Nc1sc2c(c1C(=O)O)CCC2)C(=O)N1CCCC1 6669672 ZSGCJDYCNBSHQK-UHFFFAOYSA-N 308.359 1.496 0 40 DDAB COc1ccccc1CN(C)C(=O)CN1CCOC[C@@H]1C1CC1 90007952 VUXPMNDUKPMUFR-MRXNPFEDSA-N 318.417 1.764 0 40 DDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](n2ccnc2)C1 71796467 KBZHQWJNDRVYER-INIZCTEOSA-N 322.372 1.941 0 40 DDAB Nc1nc(N)nc(COC(=O)c2cc3cc(Cl)ccc3o2)n1 7379706 CUPWQVAPHURPOZ-UHFFFAOYSA-N 319.708 1.793 0 40 DDAB CC[C@](C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1O 97237953 MDQGBNDOYYJQDJ-OAHLLOKOSA-N 307.325 1.608 0 40 DDAB C[C@H](O)CCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 96493284 UCCMGXGUSXYMJS-CUOATXAZSA-N 314.332 1.865 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H](C)Cn2cncn2)sc1C 91040695 YKBPGWMGTRDYLQ-VIFPVBQESA-N 300.409 1.323 0 40 DDAB C[C@@H](c1ccncc1)N1CCO[C@H](CN(C)c2cccnn2)C1 84667390 CSHSTTRXTODSEV-GOEBONIOSA-N 313.405 1.770 0 40 DDAB CCO[C@H]1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 71825574 ZMVSJYAXQCMABG-ZDUSSCGKSA-N 315.373 1.424 0 40 DDAB c1ccc(-n2cc(CN3CCn4c(nnc4C4CC4)C3)nn2)cc1 71880293 UCOYKTJDFRCXMT-UHFFFAOYSA-N 321.388 1.752 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 71875054 RPNWVJUCOKBZQZ-CQSZACIVSA-N 302.382 1.427 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)cc1 71889000 ZRPOVJQCCKSXRN-GFCCVEGCSA-N 302.374 1.687 0 40 DDAB CC(C)(O)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 71853915 XVFVIVDKUUJEHB-UHFFFAOYSA-N 321.312 1.151 0 40 DDAB C[C@@H](O)CN1CCC(CN[C@H](C(N)=O)c2ccc(F)cc2)CC1 69511863 LYEUXLHFGSUWFN-WBMJQRKESA-N 323.412 1.035 0 40 DDAB CCn1cnnc1CNC(=O)NCCCOc1ccc(C)cc1 69570491 YATFCDAFLUQSFK-UHFFFAOYSA-N 317.393 1.875 0 40 DDAB CCOC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)c(C)c2)C1=O 82238060 OUUYOGUFJXNDIZ-INIZCTEOSA-N 320.345 1.334 0 40 DDAB C[C@@H](C(=O)NCc1ccco1)N1CCC[C@@H]1Cn1cncn1 69661267 GKISKESXXVAANF-QWHCGFSZSA-N 303.366 1.040 0 40 DDAB CCc1noc(C)c1C(=O)N1C[C@H](CC)[C@H](N2CCOCC2)C1 83817407 RFAUBNXAXNLBNL-DZGCQCFKSA-N 321.421 1.728 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)CC[C@H]2CCCO2)CC1 69878283 UJEFTVCHHQNASE-OAHLLOKOSA-N 320.437 1.414 0 40 DDAB Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)[nH]n1 97497773 SPBQZZLKKJRAJB-UHFFFAOYSA-N 322.390 1.529 0 40 DDAB C[C@@H](CNc1nc(N)c2ccccc2n1)N1CCOC[C@@H]1C 95449387 HBJDHBVKHPDADO-RYUDHWBXSA-N 301.394 1.733 0 40 DDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccco2)cc1 9722031 JUKHZTJHYZCDSV-UHFFFAOYSA-N 308.359 1.259 0 40 DDAB O=C(OCC(=O)N1CCCC1)c1ccc(Cc2nc[nH]n2)cc1 95452224 SAUOMIQUISQMTM-UHFFFAOYSA-N 314.345 1.175 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)N[C@@H](CN)C3CC3)cc21 95432131 UCHWXDLNBHERMO-AWEZNQCLSA-N 309.435 1.085 0 40 DDAB Cc1ncc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1 95464237 WZBMXKRUVGOXJY-UHFFFAOYSA-N 300.318 1.210 0 40 DDAB COc1ccc2c(c1)C[C@@H](N[C@H](C)CCS(C)(=O)=O)CC2 97021063 LCYBNINSTNTRJC-DOMZBBRYSA-N 311.447 1.965 0 40 DDAB Cn1cc(NC(=O)c2ccccn2)cc(Br)c1=O 88213936 DQYZLUUTJLKUIH-UHFFFAOYSA-N 308.135 1.795 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C(=O)NCCCC(=O)O)C(C)C)cc1 95956887 WNYZQLIPXPTFGD-OAHLLOKOSA-N 320.389 1.730 0 40 DDAB CC(C)Cn1cnc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 95972861 YBHDYZFSSCYRGI-CQSZACIVSA-N 323.418 1.551 0 40 DDAB CCc1nnc([C@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 95961704 IEOGQVUSVFEMKO-UWVGGRQHSA-N 318.381 1.395 0 40 DDAB COc1cccc(C2(C(=O)NCc3nc[nH]n3)CCCC2)c1 75136899 XBJWHASNOBMFGV-UHFFFAOYSA-N 300.362 1.942 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc2cn[nH]c12 89919989 BIEREVOULVZWSJ-VHSXEESVSA-N 307.375 1.211 0 40 DDAB C[C@@H](C(=O)N(C)[C@@H]1CCC(=O)N(C)C1)n1cnc2ccccc21 557105981 GDXNFLXIGMEJSR-QWHCGFSZSA-N 314.389 1.677 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)N(C)Cc1ccc(C(=O)O)cc1 37918748 YYKPGABXPAIRMR-UHFFFAOYSA-N 309.347 1.237 0 40 DDAB Cc1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccn1 72366743 MMBZGQHZWICRME-CQSZACIVSA-N 320.418 1.692 0 40 DDAB O=C(O)[C@H](c1ccc(Br)cc1)N1CCOCC1 37359324 WNRRYWUZPNTUTQ-NSHDSACASA-N 300.152 1.907 0 40 DDAB NC(=O)[C@H]1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1 79002582 DZMMKOWVNNAJSO-AWEZNQCLSA-N 324.384 1.323 0 40 DDAB CC(C)C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 72391622 KYFIAIVIJFPVBG-GFCCVEGCSA-N 316.409 1.018 0 40 DDAB Cc1cc2c(s1)c1cnn(CC(=O)NC3CC3)c(=O)c1n2C 72334528 PRDSMKXRWVADSO-UHFFFAOYSA-N 316.386 1.537 0 40 DDAB C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 79404565 GVLDNPVFNOZPCG-YOEHRIQHSA-N 301.434 1.989 0 40 DDAB CS(=O)(=O)NCc1nc(-c2cccc(C(F)(F)F)c2)no1 78773772 NDFYJQKJFOQMJB-UHFFFAOYSA-N 321.280 1.805 0 40 DDAB CCSc1nc2nnc(C(=O)c3ccccc3)c(N)n2n1 72236081 LDZRZPOKADORKM-UHFFFAOYSA-N 300.347 1.445 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218073071 QWCVETLFDNNJIP-QLFBSQMISA-N 313.419 1.187 0 40 DDAB C[C@H](CNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)CN1CCOCC1 74372355 HTCIZAMJQSEBPJ-BZUAXINKSA-N 307.438 1.562 0 40 DDAB Cc1nc([C@H](NS(=O)(=O)N(C)C)c2ccccc2F)no1 79354794 NYBOSAFKBKCRQO-LLVKDONJSA-N 314.342 1.003 0 40 DDAB CN(C)[C@@H](CNC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C)c1ccccc1 71281737 RYMZCSDNXOHGBH-MJBXVCDLSA-N 304.390 1.762 0 40 DDAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O 77938667 AWTWYUZPLQZMEG-FZMZJTMJSA-N 308.353 1.740 0 40 DDAB O=C(N=c1[nH]nc(C(F)F)s1)c1noc2c1COCC2 527600038 SYPFHJOJIXJNLC-UHFFFAOYSA-N 302.262 1.211 0 40 DDAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1ccc(Cl)cc1 75171834 IRMYNUNHGACAGO-GFCCVEGCSA-N 301.751 1.945 0 40 DDAB CCCOc1ccc(NC(=O)C(=O)NCCCOCC)cc1 192679604 SNHHFMGAXWVRBB-UHFFFAOYSA-N 308.378 1.957 0 40 DDAB CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NCc1ccccc1 225404056 IPBUQDWVFWVLOB-JKSUJKDBSA-N 315.417 1.292 0 40 DDAB biogenic,in-vitro Cc1nn(C)c2cnn([C@@H](C)C(=O)NC3CCSCC3)c12 41123758 DOEMXOVZLOLUPA-JTQLQIEISA-N 307.423 1.651 0 40 DDAB Cc1ccc(CNC(=O)c2c(O)n3ccc(C)cc3nc2=O)cc1 136831977 DAUDPNVWWBEQCG-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB Cc1cnc2n(c1=O)C[C@H](C(=O)NCc1cccs1)CS2 85473674 KHYDCJRPNASEEE-JTQLQIEISA-N 321.427 1.652 0 40 DDAB CC(=O)c1cccc(NC(=O)c2cc(N3CCOCC3)on2)c1 224077671 NUVZQOWOEUGQBQ-UHFFFAOYSA-N 315.329 1.966 0 40 DDAB COC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 41097271 ONUBBEGDORCWDJ-UHFFFAOYSA-N 312.753 1.139 0 40 DDAB CC(C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225949717 SNRJVUCROLZIIN-GFCCVEGCSA-N 318.826 1.845 0 40 DDAB NC[C@H]1CCN(c2cccc(Br)c2)S1(=O)=O 222542881 ORQYWONAFSSKGJ-SNVBAGLBSA-N 305.197 1.316 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C[C@@H](C)O)[C@H](C)CO)c(C)c1 190411945 FGPWSIKTFNKAAF-HUUCEWRRSA-N 308.422 1.885 0 40 DDAB Cc1ccc([C@H](C)NC(=O)NCC(=O)N(C)CC(F)(F)F)o1 96440818 OESRCOIBJURUHC-VIFPVBQESA-N 321.299 1.969 0 40 DDAB COCCN1CCC2(C1)CN(S(=O)(=O)c1cccs1)C2 96202475 JUIJSFFWILIMDS-UHFFFAOYSA-N 316.448 1.091 0 40 DDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccsc1 96041557 SGMIVYSCPMWUET-SQWLQELKSA-N 324.446 1.585 0 40 DDAB C[C@@H](NC(=O)Cn1ccnc1S(C)(=O)=O)c1cccs1 96447818 RVBMBZSVXXMOJE-SECBINFHSA-N 313.404 1.226 0 40 DDAB CC(C)c1nsc(N2CCC[C@@H](NS(C)(=O)=O)C2)n1 92607297 LXDOTCRXRHWGEK-SECBINFHSA-N 304.441 1.180 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(CC3CC3)C[C@H]2O1)NCc1cccnc1 96220727 BVTDJZFHLDYKQI-GVDBMIGSSA-N 315.417 1.587 0 40 DDAB CCC(=O)N1CC2=C(C1)[C@@H]1CN(CC3CC3)S(=O)(=O)[C@@H]1CC2 96083444 GWEXSAONPPDNSL-LSDHHAIUSA-N 324.446 1.369 0 40 DDAB COc1ccc([C@H](N)c2n[nH]c(Cn3cccn3)n2)cc1OC 95533840 QNIQQVJYTFZNRW-AWEZNQCLSA-N 314.349 1.115 0 40 DDAB Fc1cnc(N2CCOC3(CCN(CC4CC4)CC3)C2)nc1 96049018 PBJYDWWMBMSULR-UHFFFAOYSA-N 306.385 1.697 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)N(C)CCS(C)(=O)=O)cc1 96426390 BMCIUMYHGMTMBP-UHFFFAOYSA-N 322.386 1.767 0 40 DDAB O=C(N1CCCC1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108201 RXGJQZXMXKRGCE-JKSUJKDBSA-N 319.405 1.628 0 40 DDAB CCN1CCC[C@@H](CNC(=O)NCc2cccc(N(C)C)n2)C1 96484562 FKSLOKWDZPHXOH-AWEZNQCLSA-N 319.453 1.679 0 40 DDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)[C@@H]1CCCO1 96067673 SKPHQMNBGNCQSS-ZBFHGGJFSA-N 316.401 1.411 0 40 DDAB O=S1(=O)CCCN1CCN1CCC(c2ccc(O)cc2)CC1 96483198 NCSRHPMRYAJEJM-UHFFFAOYSA-N 324.446 1.607 0 40 DDAB Cc1ccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)o1 96038835 ONSJWWOWRUMAND-NVXWUHKLSA-N 320.389 1.733 0 40 DDAB O=C1CO[C@@H]2CN(c3nncs3)C[C@H]2N1c1cccc(F)c1 96246384 XICINMMNBQGNPC-VXGBXAGGSA-N 320.349 1.298 0 40 DDAB CC(=O)N1CCOC[C@@]2(CCCN(c3ncc(C)cn3)C2)C1 96229346 GZOPOXDKXSVUNS-INIZCTEOSA-N 304.394 1.250 0 40 DDAB O=c1cc(CNCCSc2cn[nH]n2)[nH]c2ccc(F)cc12 95360498 PPOSOJNNHGJJNJ-UHFFFAOYSA-N 319.365 1.667 0 40 DDAB Cc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1 96098962 IBWUVHVBAABAFX-UHFFFAOYSA-N 305.285 1.492 0 40 DDAB Cn1ccc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)n1 257228044 FSBDKLSXVLJTDS-LLVKDONJSA-N 301.350 1.034 0 40 DDAB C[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)N(C)C 69776198 FCCKDJFDCIQFKT-NSHDSACASA-N 320.389 1.328 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(COC)C(=O)O 252515802 NTEMSNPWKMYJHC-NFAWXSAZSA-N 312.387 1.613 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 257265416 LYONHJYLPXNHBI-VNHYZAJKSA-N 324.388 1.254 0 40 DDAB CN1CCN(C(=O)C(C)(C)n2cncn2)C[C@@H]1c1ccccc1 257208802 BNQJMZMRHGAANR-OAHLLOKOSA-N 313.405 1.529 0 40 DDAB Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)s1 257251592 JRKKDWHXIPFHEE-GFCCVEGCSA-N 307.419 1.780 0 40 DDAB CN(C(=O)Cn1ccc2ccc(F)cc21)[C@@H]1CCC[C@@H](O)[C@@H]1O 257266345 MCPCOGGWWFGCPJ-FRFSOERESA-N 320.364 1.513 0 40 DDAB C[C@]1(c2ccnc3ccnn23)CCCN1C(=O)C1CCOCC1 257202076 AKIPKMZOTHYPAZ-QGZVFWFLSA-N 314.389 1.994 0 40 DDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2cccc(C)c2)C1 69895971 TZBSHODDIVRXAJ-OAHLLOKOSA-N 324.446 1.468 0 40 DDAB CCN1CCCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 69896330 CBJCQANQHQEOSE-UHFFFAOYSA-N 300.358 1.961 0 40 DDAB CCCC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 575402794 CEKIRCDBXRREQH-CQSZACIVSA-N 307.394 1.104 0 40 DDAB CCS(=O)(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575405097 QZKNDRMZQNUJGW-LBPRGKRZSA-N 312.391 1.044 0 40 DDAB O=C(N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1)C1(F)CC1 585108816 NURUYMUJDRVFQB-SOUVJXGZSA-N 320.364 1.859 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccccc1)[C@@H](C)C2 585097166 GHCDRVCLGUYHQI-ZDUSSCGKSA-N 314.389 1.440 0 40 DDAB CC[C@H](C)N1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099383 HSLCCVONXWKXPV-GUYCJALGSA-N 303.406 1.613 0 40 DDAB Cn1ccnc1CN1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 585273708 DLQYESGIADPEPY-ZBFHGGJFSA-N 303.381 1.985 0 40 DDAB COc1ccc(Cl)c(S(=O)(=O)NC2CCN(C)CC2)c1 71908345 IHCDTGINGXBMIF-UHFFFAOYSA-N 318.826 1.721 0 40 DDAB COC(=O)[C@@H](c1ccc(Br)cc1)N1CCOCC1 71910633 LSCMIPSWDCKLSC-GFCCVEGCSA-N 314.179 1.995 0 40 DDAB CCc1ccc(OC)c(S(=O)(=O)NCC2(O)CCCC2)c1 44448515 JHCPESLDYVTUGV-UHFFFAOYSA-N 313.419 1.841 0 40 DDAB CC(C)N1CC[C@H](N2CCC(Oc3ncc(F)cn3)CC2)C1=O 1776009528 RWUSYAHLISOPDT-AWEZNQCLSA-N 322.384 1.468 0 40 DDAB COc1ccc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)cn1 48019456 WKHWLQKUSKIFJY-UHFFFAOYSA-N 318.377 1.613 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n[nH]1 78900703 PXOSBDNVYHNEDP-NWDGAFQWSA-N 320.393 1.174 0 40 DDAB CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 56613716 BNKJJXGZVJTEDH-CYBMUJFWSA-N 323.349 1.792 0 40 DDAB COCCOc1ncccc1C(=O)N1C[C@H](C)[C@H](N(C)C)C1 76051647 SNKNQCSTULRFEL-GXTWGEPZSA-N 307.394 1.129 0 40 DDAB COCCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 76992895 HYDLGVWJFONGNT-HOCLYGCPSA-N 322.380 1.356 0 40 DDAB C[C@@H]1CN(C(=O)Nc2ccn(C)n2)CCN1CC(F)(F)F 95977698 KEOCQGVWKSPZDO-SECBINFHSA-N 305.304 1.520 0 40 DDAB Nc1nccnc1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F 96477708 XTFDBCJJKIJSHT-SNVBAGLBSA-N 310.279 1.962 0 40 DDAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C)O3)cc1F 1549162348 PHTGFGHQPUVTOS-UHFFFAOYSA-N 322.336 1.603 0 40 DDAB CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)O 5633365 QHOIHUPHVHZHBO-LBPRGKRZSA-N 312.753 1.295 0 40 DDAB COC(=O)/C=C1/S[C@](OC)(N(C)c2ccccc2)N(C)C1=O 17174565 WGNKSFGEFVHWDM-HBIYDYFMSA-N 322.386 1.643 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)Nc2cccc([S@](C)=O)c2)C1 205586873 VQLTYAZPHJJTJI-WLRWDXFRSA-N 316.448 1.813 0 40 DDAB COc1cc2c(cc1NC(=O)CN1CCOCC1)OC[C@@H]2C 16778421 CFGSQRAZSAGYHY-NSHDSACASA-N 306.362 1.462 0 40 DDAB CNC(=O)CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl 18057235 ZHPLGJXAFLFHQJ-UHFFFAOYSA-N 320.780 1.127 0 40 DDAB COCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 3017997 CUNLHBFFSDLCLH-UHFFFAOYSA-N 306.406 1.867 0 40 DDAB O=S(=O)(c1ccccc1)N1CC(Cn2cc(Cl)cn2)C1 1848722770 PTIWCESKKGXFTJ-UHFFFAOYSA-N 311.794 1.857 0 40 DDAB Cn1cnc(C(=O)N2C[C@H]3CN(c4nccs4)C[C@@H]3C2)c1 1888855915 WHYGCXXGYMOXMQ-QWRGUYRKSA-N 303.391 1.085 0 40 DDAB COC(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 1888944454 SWEVQIMUFPHKGZ-UHFFFAOYSA-N 315.304 1.865 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN1C(=O)c1ccco1 24481315 YURJCQFQFWKCJN-CYBMUJFWSA-N 316.361 1.276 0 40 DDAB CC(=O)N1CC2(CCN(C3CCOCC3)CC2)C[C@@H](O)C1(C)C 2037849959 WIYAALZQXRCQOM-MRXNPFEDSA-N 324.465 1.639 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@H]3C2)C1 1565546872 FTGPAERHVRVKSU-WZCNAGQFSA-N 320.433 1.661 0 40 DDAB Cc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)n(C)n1 2780373 BZHFJBVEFLUJQZ-UHFFFAOYSA-N 307.379 1.448 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC(C)C)C1 4149202 LJKRWTWRWVVNFQ-ZDUSSCGKSA-N 304.456 1.601 0 40 DDAB CCCc1cc(=O)[nH]c2nnc(S[C@@H](C)C(=O)OCC)n12 4250268 ANEMLUXPNQATHB-QMMMGPOBSA-N 310.379 1.414 0 40 DDAB Cc1ccccc1Cn1nnc(C(=O)NCc2ccco2)c1N 4852638 PJFFNEUQKMZMEM-UHFFFAOYSA-N 311.345 1.740 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)c2ccccc2n1 10327189 IODXIAGDMODQHT-GFCCVEGCSA-N 313.357 1.777 0 40 DDAB CN([C@@H]1CCCN(Cc2cccnc2)C1)S(=O)(=O)C1CC1 2086889407 SVIMFCNHAJAOTH-CQSZACIVSA-N 309.435 1.470 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NCCc2cccs2)C1=O 20051513 BTBDMBNVELCKHI-LBPRGKRZSA-N 323.418 1.373 0 40 DDAB Cc1nc(C)c(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)c(=O)[nH]1 31203160 HOWBCQOHWYGACV-KGLIPLIRSA-N 303.406 1.968 0 40 DDAB CCN(CC)S(=O)(=O)c1cccc(NCC(=O)OC)c1 40489607 NZGQJZBAVZMPCC-UHFFFAOYSA-N 300.380 1.302 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1csc(-c2ccco2)n1 40522265 NLNYWRPWJFOLRL-VIFPVBQESA-N 305.359 1.802 0 40 DDAB C[C@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)C[C@H](C)O1 40553214 OQLJLGHJKQASLU-UWVGGRQHSA-N 306.391 1.793 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)Cn1cccn1 40542276 LAXRVNVIWVNADU-CYBMUJFWSA-N 317.393 1.953 0 40 DDAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1n[nH]c(N)n1)C2 32069994 FFMUTUPJAUOTRL-SNVBAGLBSA-N 306.347 1.304 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)Oc1ccc(-n2cnnn2)cc1 32876582 LZBQCVOCVMVOME-UHFFFAOYSA-N 318.724 1.577 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)CN1CCCc2cc(F)ccc21 52614118 FJCJFXNRRBIPLN-UHFFFAOYSA-N 316.380 1.970 0 40 DDAB O=C(CCn1cncn1)N1CCN(Cc2ccsc2)CC1 42000102 DHARZYKYFBSUHS-UHFFFAOYSA-N 305.407 1.074 0 40 DDAB COc1cc(C(=O)NS(C)(=O)=O)cc(Cl)c1OC(C)C 42280658 LNSICWCZNHXEBY-UHFFFAOYSA-N 321.782 1.825 0 40 DDAB Cc1nc(N2CCN(c3ccccn3)CC2)c2cnn(C)c2n1 54041666 GBGOVKDYMMSKTN-UHFFFAOYSA-N 309.377 1.393 0 40 DDAB Cc1ccc(OCC(=O)N2CCC(c3nc[nH]n3)CC2)cc1 82982159 MQAKDKVRRIMQOH-UHFFFAOYSA-N 300.362 1.898 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncn[nH]1 23142387 HIPJJXLDKXQONV-NSHDSACASA-N 321.768 1.851 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCNC2)C1 19421982 IMRAFYPVKALUBJ-OLZOCXBDSA-N 311.426 1.502 0 40 DDAB in-vitro C[C@H]1CN(CC(=O)NC(=O)NCCC2=CCCCC2)C[C@H](C)O1 23584278 ZVPPOLXIJBGPIQ-KBPBESRZSA-N 323.437 1.812 0 40 DDAB COc1ccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)cc1 4314622 SOWASOFZYHFCFZ-UHFFFAOYSA-N 305.359 1.818 0 40 DDAB COc1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc1 4996116 XBNAUYBFMARCLI-UHFFFAOYSA-N 314.407 1.233 0 40 DDAB O=S1(=O)CCCN1c1cc(N[C@@H]2CCOC2)ccc1F 95976504 FUDLAIGGVLCWBN-LLVKDONJSA-N 300.355 1.566 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccccc1OC 61986446 QOTKYDXSHBQTFO-CQSZACIVSA-N 306.406 1.905 0 40 DDAB C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc(C(N)=O)cc1 8876453 KXHPGQTVAAILHH-NSHDSACASA-N 322.386 1.678 0 40 DDAB Cn1cc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1 25306441 QVOPKICOUCVJJA-UHFFFAOYSA-N 316.386 1.888 0 40 DDAB COc1ccccc1CCNC(=O)CCNC(=O)[C@H]1C[C@H]1C 48071646 WXOQMVJDMQLXIX-OCCSQVGLSA-N 304.390 1.516 0 40 DDAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 43870804 NSDFQFOTZDNILT-SECBINFHSA-N 312.316 1.456 0 40 DDAB COc1c(C)cccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 9141771 DKXFYJLOYYVKRL-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c1 25299859 HIJDDXXQYYMDSJ-HNNXBMFYSA-N 308.422 1.500 0 40 DDAB CC[C@H](c1ccccc1)N1CCN(CC(=O)NCCOC)CC1 57861020 QOSAGSRUCTUWBV-QGZVFWFLSA-N 319.449 1.518 0 40 DDAB COc1ccc(CCNC(=N)NCc2ccnc(OC)c2)cc1 58184842 CTMLNURARQGIGU-UHFFFAOYSA-N 314.389 1.955 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1ccc2ncccc2c1 58132040 LKGMMXUCKXVFAY-UHFFFAOYSA-N 315.354 1.660 0 40 DDAB CC(=O)Nc1nc(Cn2c(-c3ccccn3)noc2=O)cs1 58281302 GEVLUZJZLAWKNK-UHFFFAOYSA-N 317.330 1.362 0 40 DDAB COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C(C)C 12769545 UQIXWPLPECMQTE-STQMWFEESA-N 324.377 1.348 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cnn(C)c1 44944834 HTMMKFJBUGAEBY-JTQLQIEISA-N 313.810 1.983 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccncc1 44909974 DHKVCJRGKXCQAP-CYBMUJFWSA-N 312.377 1.464 0 40 DDAB Cc1cc2n(n1)C[C@H](CNC[C@@H](O)c1cccc(F)c1)CN2 58342004 PESZGRSWFBUAAL-IUODEOHRSA-N 304.369 1.696 0 40 DDAB COc1ccccc1CNC(=O)Cn1cnc2ncccc2c1=O 58378601 NCQOTDIBDIJRDX-UHFFFAOYSA-N 324.340 1.117 0 40 DDAB CC(C)c1noc(CN2CCC(c3ccnn3CCO)CC2)n1 58304731 LZNAMYCVNPXZQJ-UHFFFAOYSA-N 319.409 1.761 0 40 DDAB Nc1nc(N)nc(CSCCC(=O)Nc2ccccc2F)n1 45009445 WJMJZDNEYUIZGX-UHFFFAOYSA-N 322.369 1.437 0 40 DDAB O=C([C@H]1NCCc2[nH]cnc21)N1CCc2c([nH]c3ccccc23)C1 72469106 KZXYCJNCMDYVBA-KRWDZBQOSA-N 321.384 1.663 0 40 DDAB O=C(CCOc1cccc(F)c1)NC[C@H]1CCS(=O)(=O)C1 45251525 MBCVZDPHIJWFPM-LLVKDONJSA-N 315.366 1.146 0 40 DDAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1 3396478 SPWICQFHEGENNQ-SNVBAGLBSA-N 307.350 1.273 0 40 DDAB CC[C@@H](CO)NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 95349441 AJEZNQGREYJNLG-NWDGAFQWSA-N 310.419 1.630 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(C)c1 29023826 HTBKPGJYQVLXHR-HNNXBMFYSA-N 324.446 1.815 0 40 DDAB CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 48303274 IMMCYDWUVIHMFB-HNNXBMFYSA-N 305.403 1.491 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 13005244 KPFICUZFUYLFER-TXEJJXNPSA-N 318.373 1.650 0 40 DDAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)n[nH]c1=S 9189623 UDMASHBGFOZKSP-UHFFFAOYSA-N 316.383 1.583 0 40 DDAB O=C1NCCN(C(=O)c2cc[nH]n2)[C@H]1c1ccccc1Cl 96010173 XRTKTSZVFMKHGY-LBPRGKRZSA-N 304.737 1.376 0 40 DDAB O=C(Nc1ccsc1)C(=O)Nc1cnn(-c2nccs2)c1 96006841 VJYJZSBJTQMRAU-UHFFFAOYSA-N 319.371 1.968 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4045172 ARGYSBFCUPNCDR-AKWBHNSASA-N 316.357 1.761 0 40 DDAB biogenic Cc1cc(CC(=O)N2CCN(c3ccncc3Cl)CC2)n[nH]1 95437736 GMUVGYYHNNDYHS-UHFFFAOYSA-N 319.796 1.658 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)NCCc1cccs1 5282145 LLEAPZRLWFZJIC-UHFFFAOYSA-N 313.386 1.761 0 40 DDAB NC(=O)CN(C(=O)c1cc2ccccc2[nH]c1=O)C1CCCC1 65489305 ADQXQYVQJIWBOZ-UHFFFAOYSA-N 313.357 1.398 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 65578034 BZLJUHHHRJXVJS-LBPRGKRZSA-N 314.345 1.103 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 14197992 LJPOFMOFMHSEMR-LLVKDONJSA-N 320.773 1.842 0 40 DDAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COc2cc(C)ccc2C)C1=O 14236220 DGKSCCZCSWBFDW-DYVFJYSZSA-N 320.389 1.764 0 40 DDAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)COCC3 4771284 NLBWKUWJOOZAHQ-UHFFFAOYSA-N 311.341 1.236 0 40 DDAB O=C(O)C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1)C1CC1 95970323 QEEWIIPMUFRHQE-CYBMUJFWSA-N 317.320 1.995 0 40 DDAB CCN1C[C@H](C(=O)Nc2cc(F)ccc2OCCOC)CC1=O 66431938 OQESFZOPNLUZAE-LLVKDONJSA-N 324.352 1.658 0 40 DDAB O=C1NC(c2ccccc2)=N[C@]1(Nc1ncccn1)C(F)(F)F 19873628 MGKKUTXOZHCUTN-CYBMUJFWSA-N 321.262 1.724 0 40 DDAB CCOC(=O)[C@](C)(O)CN1CCC(OCc2ccccc2)CC1 95943806 VTXIZXJBBQZFCU-GOSISDBHSA-N 321.417 1.982 0 40 DDAB Cc1nnc2n(c1=O)N=C(c1ccc3c(c1)OCCO3)CS2 9596195 PSJSKNTVFGLNHV-UHFFFAOYSA-N 316.342 1.076 0 40 DDAB C[C@H](c1cccs1)N(C)CCS(=O)(=O)CCC(N)=O 16434727 ZKQCRPUXBHQCAJ-SNVBAGLBSA-N 304.437 1.031 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1 8097367 BXKDZPKPFVASNU-LBPRGKRZSA-N 300.362 1.517 0 40 DDAB CN(Cc1nnc2ccccn12)c1nnnn1-c1ccccc1 71904169 BKZFMXXVKIFLRG-UHFFFAOYSA-N 306.333 1.341 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cc3ccccc3n2C)CC1 70016090 MPXZMAOMBBMGHP-CYBMUJFWSA-N 301.390 1.317 0 40 DDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)NCCc1cccs1 9613783 ZJQBFRUFLNICEA-MRVPVSSYSA-N 323.447 1.542 0 40 DDAB Cc1ncc2c(n1)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2 69418448 ZYNWIROCWZSRQI-HNNXBMFYSA-N 300.337 1.509 0 40 DDAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nnnn2-c2ccccc2)c1 69528875 LGJWNSZTHUDSLJ-KGLIPLIRSA-N 311.393 1.907 0 40 DDAB COC(=O)CCNC(=O)c1ccc(CN2CCSCC2)cc1 69527466 COYKHGGCZYGGGW-UHFFFAOYSA-N 322.430 1.528 0 40 DDAB C[C@H](O)CN1CCN(Cc2ccc(F)c3cccnc23)CC1 69847044 HMEJZLBLCJZTAT-ZDUSSCGKSA-N 303.381 1.872 0 40 DDAB C[C@H]1CCCCN1C(=O)CN1CCN(c2ccccc2O)CC1 18708984 AURMSMYYKXRQTE-HNNXBMFYSA-N 317.433 1.915 0 40 DDAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 8936233 AERODRBZCJMWEY-UHFFFAOYSA-N 312.391 1.182 0 40 DDAB CN(CC(C)(CO)CO)C(=O)c1nc(C2CC2)n2ccccc12 97079719 NAWWDQJBKDRPNJ-UHFFFAOYSA-N 317.389 1.275 0 40 DDAB Cn1cccc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 97084986 HNQMVEGUVPTJPR-MRXNPFEDSA-N 324.384 1.678 0 40 DDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)o1 72286630 FWSSFPUQMMPJGW-GFCCVEGCSA-N 300.380 1.302 0 40 DDAB O=C(Nc1cn[nH]c1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 72280683 MJOZBKCTPMZXOK-UHFFFAOYSA-N 324.337 1.242 0 40 DDAB C[C@@H]1OCC[C@@H]1NC[C@H](C(=O)N1CCOCC1)c1ccccc1 89550705 CWLDCIIEARPQCI-XIRDDKMYSA-N 318.417 1.396 0 40 DDAB Cc1cc(C)c(CCNC(=O)N2CCNC(=O)CC2)c(C)c1 89568712 KJSPXDQSDQRHIC-UHFFFAOYSA-N 303.406 1.686 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2COCC1CCOCC1 306134368 NLDVPTSUSIUFSB-AWEZNQCLSA-N 312.410 1.202 0 40 DDAB CS(=O)(=O)CC[C@H](N)c1nc(-c2ccc(Cl)cc2)no1 21508367 CTLBCCKXVBVYRI-JTQLQIEISA-N 315.782 1.825 0 40 DDAB Cc1ccc(N2C(=O)N[C@@]3(O)C(=O)c4ccccc4[C@@]23O)cc1 39379192 AYOKDJXRGYCPJN-SJORKVTESA-N 310.309 1.255 0 40 DDAB c1nc(N2CCC[C@@H](N3CCOCC3)CC2)c2cc[nH]c2n1 519837377 VHGCPPVECTVPTM-CYBMUJFWSA-N 301.394 1.649 0 40 DDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)C(C)C)CC2 36734986 RKEYMFCIAXLLIO-UHFFFAOYSA-N 316.405 1.626 0 40 DDAB CN(C[C@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412286 HVLQHUDSRJMXLM-CQSZACIVSA-N 305.378 1.062 0 40 DDAB CC[C@@H](C(=O)Nc1cccc([S@](C)=O)c1)N1CCCC1=O 74364718 IXIOPBVLKHMEGJ-YEJXKQKISA-N 308.403 1.764 0 40 DDAB CCCCO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]2N[C@@H]12 37245957 CPYRVZBXTVESHT-HAEOWDPNSA-N 305.374 1.983 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2cccc(OCC(=O)O)c2)[C@H]1C(=O)O 71284268 BQPUNRRKPJPRAT-NEPJUHHUSA-N 307.302 1.445 0 40 DDAB CNCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225578 DOTCFTJRIHKONR-UHFFFAOYSA-N 306.410 1.858 0 40 DDAB CCOc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2occc12 72240119 YWILLKVXONFMTG-NSHDSACASA-N 323.370 1.748 0 40 DDAB CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79391291 RCYKTMGCAYQVJK-QWHCGFSZSA-N 313.442 1.970 0 40 DDAB NC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(N)c1 216881777 JUZSVHFMYOYMMI-UHFFFAOYSA-N 314.364 1.833 0 40 DDAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241589 OPLRPGOWEVPSJX-GJZGRUSLSA-N 308.353 1.640 0 40 DDAB Cc1c(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)cnn1C 78882012 HPTNWLRVFVSPJW-LLVKDONJSA-N 324.425 1.961 0 40 DDAB NC(=O)c1ccc(C(F)(F)F)n(CCOCC(F)F)c1=O 225439460 LTTXRMMHLQLWTO-UHFFFAOYSA-N 314.210 1.248 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCC(C)C)c1 225929046 MWRQHJDXHVCEQL-UHFFFAOYSA-N 312.435 1.696 0 40 DDAB CC1(C)O[C@H]2CN3C(=O)OC[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2O1 139782540 LUOJDVOQOLGAHL-LXTVHRRPSA-N 319.357 1.926 0 40 DDAB C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)COc2ccccc2F)CC1=O 195531138 KRAQTSQHVKGKBO-NTZNESFSSA-N 306.337 1.330 0 40 DDAB CN1CCN([C@@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@H]23)CC1 96185817 KFXMWVQDVGSMOB-FMKPAKJESA-N 322.478 1.122 0 40 DDAB c1coc(CN2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1 96185040 KKKYAQOUIGPKRY-BBWFWOEESA-N 307.390 1.922 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cn2ccccc2n1 95365172 JLXXPSWQJOTRQG-ZDUSSCGKSA-N 309.325 1.760 0 40 DDAB Cc1ccnc(NC[C@@H]2CCN(c3ccc4nnnn4n3)C2)c1 97200977 SVIKYXXMOZLKMW-LBPRGKRZSA-N 310.365 1.161 0 40 DDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccnnc1 96067662 PEDNEQDGCQZNNT-HNNXBMFYSA-N 324.384 1.336 0 40 DDAB Cc1ccc(CN2CCO[C@H]3CN(C4CCOCC4)C[C@H]32)o1 96248812 SUVFLCCKDXZXLR-SJORKVTESA-N 306.406 1.652 0 40 DDAB Cc1c(CN[C@H](C)Cn2cc(Br)cn2)cnn1C 90887937 IUARUTZICAVBRO-SECBINFHSA-N 312.215 1.866 0 40 DDAB O=S(=O)(Nc1c(F)cccc1-n1cccn1)N1CCCC1 96426101 WKDRQNUSSHHWIX-UHFFFAOYSA-N 310.354 1.764 0 40 DDAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCCO)cc2)n1 95479212 NISBTHDZFXNYFJ-UHFFFAOYSA-N 300.362 1.949 0 40 DDAB COCCc1nsc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1 97233381 YBFOAXDJRWFTBG-NSHDSACASA-N 323.422 1.878 0 40 DDAB CN(C)C[C@@H]1OC[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 96065611 SJOOUZXEOMTWLJ-QEJZJMRPSA-N 308.447 1.716 0 40 DDAB Cn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3=O)C2)cn1 96040607 NQDUGSGZXMPCOB-UXLLHSPISA-N 318.421 1.022 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(C(=O)Cc1ccsc1)CC2 96206095 PRWZQNFORCPIPV-ZDUSSCGKSA-N 322.430 1.292 0 40 DDAB Cc1ccoc1C(=O)NCCCNC(=O)NCc1nccs1 96415304 WWDBZRDPKJKMDS-UHFFFAOYSA-N 322.390 1.664 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N(C)C[C@H](C)c1nnn[nH]1 97377615 YEUMEKMIQIJRCC-VIFPVBQESA-N 313.358 1.071 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96161805 LLCBVTODLKFHEK-PHIMTYICSA-N 301.375 1.142 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)n2ncnc2N[C@]1(C)O 248381590 UJUIRZOSFAEDOK-YRGRVCCFSA-N 306.753 1.860 0 40 DDAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257287713 PRFCXXNABFMZNA-CYBMUJFWSA-N 323.356 1.932 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@]2(C(N)=O)c2cnccn2)cc1 257201922 AJQGJACBGYZCPP-QGZVFWFLSA-N 310.357 1.402 0 40 DDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2nccnc2N)C1 257314723 UYFFEZOLCLOWGX-LLVKDONJSA-N 317.349 1.131 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257299642 RQXIMUUISYUSSK-HOTGVXAUSA-N 320.389 1.239 0 40 DDAB CC(=O)N1CCC[C@@H](c2cncc(-c3cnc4ncccn34)n2)C1 257247768 JAJUCKFZENKDCZ-CYBMUJFWSA-N 322.372 1.912 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)N1CCc2sccc2C1 253472048 IMJGYIYFLYGHLC-UHFFFAOYSA-N 304.371 1.654 0 40 DDAB O=C1CO[C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@@H]2N1 257254837 KEWPZDVOXSCFDU-JKSUJKDBSA-N 324.384 1.233 0 40 DDAB C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(OCC(=O)O)cc1 263073476 PHZOCOKECKDEGQ-QPKOPYBWSA-N 319.357 1.895 0 40 DDAB CC(C)CCC(=O)N1CCn2cc(CC(=O)N(C)C)nc2[C@H]1C 585096424 NCUDQYVWXDBEAJ-CYBMUJFWSA-N 320.437 1.853 0 40 DDAB O=C(CNc1cccc2c1CCCC2)N[C@H]1CCS(=O)(=O)C1 30289661 RFTWMZGSRFWEBE-ZDUSSCGKSA-N 322.430 1.281 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnnn1C1CC1 30341961 HVJDNZZDPQZLOT-SECBINFHSA-N 321.410 1.478 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1c1nc2ccccc2o1 51993312 FZCCPHDYLVXUIS-LLVKDONJSA-N 309.391 1.736 0 40 DDAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)on1 19522748 MQWFDQINBJQBBO-SNVBAGLBSA-N 320.324 1.745 0 40 DDAB Cc1nc(CNc2ccc(S(=O)(=O)CCO)cc2)oc1C 158924864 XLEFWAXLBONVJL-UHFFFAOYSA-N 310.375 1.670 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3snnc3C)C2)nn1 225461410 HXJJOJQTPGSJCL-NSHDSACASA-N 319.390 1.629 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1 22258811 UPDWTZSPAJUOQD-ZDUSSCGKSA-N 310.419 1.484 0 40 DDAB O=C(c1nccc2ccccc12)N1CC(Nc2ncccn2)C1 238827028 DZPPPKKCSKIPBA-UHFFFAOYSA-N 305.341 1.961 0 40 DDAB Cn1cnc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1Cl 32469686 YOOZDEUJAQAGEY-SECBINFHSA-N 319.814 1.263 0 40 DDAB CC(=O)N1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1 4478907 PVIKYVVHXCUKOT-UHFFFAOYSA-N 322.430 1.487 0 40 DDAB COc1ccc(NC(=O)NCc2nnnn2-c2ccccc2)cc1 9615547 SWCWOWGLACEQSW-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB Cc1nc(C(=O)N2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)cs1 2055839536 GTFTVUDTGRGXRT-BXUZGUMPSA-N 319.390 1.289 0 40 DDAB CCc1nsc(N2CCN(Cc3nnc(C(C)C)o3)CC2)n1 76061791 KORFGCUUOXZDPR-UHFFFAOYSA-N 322.438 1.929 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1F 30287754 LAVBWDREWFHVLC-AOOOYVTPSA-N 303.355 1.632 0 40 DDAB CC(C)N1CCc2nc3cc([C@H]4CCCN4)nn3c(O)c2C1 100003385 MGZLCYQQHPFBTI-CYBMUJFWSA-N 301.394 1.626 0 40 DDAB CCOc1ncccc1CNC(=O)c1csc(NC(C)=O)n1 30836647 QCEBPURNPYWDQY-UHFFFAOYSA-N 320.374 1.825 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40457611 YFPOTUGTYVPSBX-UHFFFAOYSA-N 318.345 1.208 0 40 DDAB C[C@H](CNC(=O)c1cc(-c2ccccc2)no1)N1CCOCC1 40516274 PSFPKYIWNUOYBF-CYBMUJFWSA-N 315.373 1.792 0 40 DDAB CC[C@@](C)(CNC(=O)Cn1nc(C)cc1C)N1CCOCC1 40515326 MYTOFAYXJJHRFD-INIZCTEOSA-N 308.426 1.117 0 40 DDAB CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H]1CCN(C3CC3)C1)C2 101385425 LYKMHLDXIXVXNL-JQFCIGGWSA-N 320.481 1.785 0 40 DDAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)cn1 32913268 URGBUYCKJZQFBT-LBPRGKRZSA-N 320.393 1.859 0 40 DDAB Cc1ccc([C@@H](C)N(C)CCS(=O)(=O)CCC(N)=O)cc1 52907396 VLOBXOHCUSNUOA-CYBMUJFWSA-N 312.435 1.278 0 40 DDAB Cc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 38876 KFYVMTAZHCBHDC-UHFFFAOYSA-N 320.370 1.660 0 40 DDAB CC(C)(C)OC(=O)NCCN1CCN(c2nccs2)CC1 75612320 DFINDKXBMQJCIC-UHFFFAOYSA-N 312.439 1.790 0 40 DDAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)O)n2C)cc1 1019438 ORINDTIXILRUBB-UHFFFAOYSA-N 306.347 1.617 0 40 DDAB Cc1nn(C)cc1NC(=O)c1nn(C)c(C)c1Br 2780457 QHJVFLZZQLSIPR-UHFFFAOYSA-N 312.171 1.785 0 40 DDAB CCCS(=O)(=O)N1CCC(n2cccc2C(=O)O)CC1 54441716 AIRQAHQRJZXLIK-UHFFFAOYSA-N 300.380 1.563 0 40 DDAB COc1cccc([C@@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)c1OC 3849197 KNJCOIITJWUYDR-JQWIXIFHSA-N 303.318 1.115 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@H]13)O2 4044224 KNDMWRNUGYJRIY-ZYRMLZRHSA-N 313.353 1.703 0 40 DDAB biogenic Cc1csc(NC(=O)CSc2nc(=O)c(C)c(O)[nH]2)n1 4861698 KSMXOAHDLJVWES-UHFFFAOYSA-N 312.376 1.280 0 40 DDAB CCC1(CC)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 24209730 SSUMBNGWMTVDPI-GFCCVEGCSA-N 324.352 1.676 0 40 DDAB NC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC2 6788396 JNXHILVOSLGTTD-UHFFFAOYSA-N 307.419 1.760 0 40 DDAB Cn1cccc1C(=O)NC(=O)COC(=O)/C=C/c1cccs1 7735943 LOCMIOAFLGXMNK-VOTSOKGWSA-N 318.354 1.600 0 40 DDAB CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H](C)n2cncn2)no1 76044537 HBIPSZMZILVJIH-GHMZBOCLSA-N 304.354 1.709 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2CN(c3ncccn3)C[C@H]1O2 107264721 ANOQUMBJSQLBBS-MELADBBJSA-N 311.345 1.104 0 40 DDAB CCOc1cc2c(cc1CNC(=O)C1=COCCO1)O[C@H](C)C2 24645935 MZLLVLVOZVAPIP-LLVKDONJSA-N 319.357 1.913 0 40 DDAB O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC1)C1CCCC1 8651829 BFXBKZKSACANKU-AWEZNQCLSA-N 304.394 1.250 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)o1 25150646 CPVWPDVCQXVSJL-WDEREUQCSA-N 314.407 1.838 0 40 DDAB Cc1cccc(NCC(=O)N2CCN(C(=O)C3CC3)CC2)c1C 55824333 CZDHPNAMVKQYCQ-UHFFFAOYSA-N 315.417 1.796 0 40 DDAB CC(C)c1noc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)n1 107059322 AUSVJRQTYPXRNG-BMIGLBTASA-N 321.381 1.003 0 40 DDAB CC(C)(C)n1nc(C(=O)N2CCC(C(N)=O)CC2)cc1C1CC1 42767142 DAOWUZOJRPCBFP-UHFFFAOYSA-N 318.421 1.853 0 40 DDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](N2CCNC2=O)C1 107317546 ULFIQQWAUZEFJG-ZQDZILKHSA-N 305.422 1.829 0 40 DDAB O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccncc1 108141104 OJIBDRNPHUYGMQ-IRXDYDNUSA-N 311.385 1.447 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1 9288359 LLYLMWFCGPKPKM-QWRGUYRKSA-N 308.359 1.008 0 40 DDAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccoc1 12694250 DXAZPSRUWLSOSS-UHFFFAOYSA-N 306.343 1.973 0 40 DDAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C(C)(C)C)cc(=O)c3c2=O)n1 9926397 GZYVZRYJANRPSD-UHFFFAOYSA-N 313.361 1.711 0 40 DDAB COc1ncccc1NC(=O)N1CCC[C@@H](c2nncn2C)C1 48278397 MIXHVRVVTLKZME-LLVKDONJSA-N 316.365 1.630 0 40 DDAB CC(C)OC(=O)C[C@H](NC(=O)[C@]1(F)CCNC1)c1ccccc1 95971661 ZPANXBHZNWLSIM-YOEHRIQHSA-N 322.380 1.887 0 40 DDAB Cc1ncc2c(n1)CCN(CCS(=O)(=O)c1ccccc1)C2 44937779 BVAOLPYFBHEJPL-UHFFFAOYSA-N 317.414 1.617 0 40 DDAB C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](c2ccco2)C1 95941724 ZGDSTOWEMFGLGM-KBPBESRZSA-N 319.405 1.353 0 40 DDAB O=C(Cn1cccn1)NC[C@H]1CCCN(Cc2ccccc2)C1 58377611 PMGAUDUDEUFVCN-QGZVFWFLSA-N 312.417 1.912 0 40 DDAB O=C(COc1ccccc1F)Nc1cccnc1-n1cncn1 58327712 XUYXICBHYIKTFA-UHFFFAOYSA-N 313.292 1.819 0 40 DDAB C[C@@H](NC(=O)NCCCOC1CCCCC1)c1nncn1C 45133629 AUGLZCJUWUAMOP-GFCCVEGCSA-N 309.414 1.915 0 40 DDAB CCOc1coc(C(=O)NCc2ccccc2OC)cc1=O 23136910 OQBDCZOFJHDAEZ-UHFFFAOYSA-N 303.314 1.977 0 40 DDAB CCN1CCC[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 75125868 RDOYIKOCNPJNPV-LBPRGKRZSA-N 315.373 1.849 0 40 DDAB Cc1cc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)no1 11691375 DNNCVSKOYXGJAB-UHFFFAOYSA-N 323.312 1.735 0 40 DDAB CC(C)NC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F 3424949 XPCDEOPOVBLEFC-UHFFFAOYSA-N 308.231 1.856 0 40 DDAB C[C@@H]1Cc2ccccc2N1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 9114596 XGZOVLJJQYXWPE-MLGOLLRUSA-N 322.430 1.131 0 40 DDAB O=C(C1CC1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005058 CCBSJZPOXOFQQP-AWEZNQCLSA-N 308.403 1.829 0 40 DDAB O=C(c1[nH]nc2c1CCC2)N1CCN(c2ccc(F)cc2)CC1 49679064 APFUZTZJMNBLML-UHFFFAOYSA-N 314.364 2.000 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1N1CCOCC1 84736001 UVCDTPWZJLFBOK-SMDDNHRTSA-N 311.813 1.851 0 40 DDAB CCc1noc(CS(=O)(=O)[C@H](C)c2nc(C(C)C)no2)n1 65393205 XRJMDWOWZXZVQF-MRVPVSSYSA-N 314.367 1.814 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NCCCN1CCCCCC1=O 65453055 FVCMUIIVTHSDEM-AWEZNQCLSA-N 321.425 1.364 0 40 DDAB O=C(NCc1nc(-c2ccccc2)n[nH]1)NC1CCC(O)CC1 65515618 IHAONOCGLIEXAY-UHFFFAOYSA-N 315.377 1.574 0 40 DDAB CC(=O)N[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 14202029 COTOMNUJFFGLGU-MRXNPFEDSA-N 301.390 1.987 0 40 DDAB O=C1CCN(Cc2ccc(OCc3ccccn3)cc2)CCN1 65954510 WQGOVOHOIRDSEM-UHFFFAOYSA-N 311.385 1.983 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1nccs1 4785692 LATCSPXSMMVZFV-UHFFFAOYSA-N 305.315 1.127 0 40 DDAB Cc1ccsc1CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C 96413085 UDOQQMPTKGBJQP-QWRGUYRKSA-N 316.448 1.774 0 40 DDAB C[C@H](CNC(=O)CCn1ccccc1=O)Oc1ccccc1F 80755411 JRLTXTNCVIEEMR-CYBMUJFWSA-N 318.348 1.961 0 40 DDAB COC1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 71826791 RPLKNIMOLCKKQB-UHFFFAOYSA-N 300.358 1.639 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N(CC(N)=O)C1CCCC1 71821117 WMOYTALOQFVUQE-UHFFFAOYSA-N 306.410 1.226 0 40 DDAB CC(=O)N[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)C(C)C 7989055 UEVPYXXKKVMYGD-MRXNPFEDSA-N 320.389 1.277 0 40 DDAB COc1ccc(Cl)cc1C(=O)N1CCO[C@H](CC(=O)O)C1 91293020 LENSESUOCZCBCK-SNVBAGLBSA-N 313.737 1.664 0 40 DDAB CN(C)c1ccc(C(=O)NCCCOC[C@H]2CCOC2)cc1 71920704 SRLMFWZKUCFGKV-CQSZACIVSA-N 306.406 1.926 0 40 DDAB CC[C@](C)(NC(=O)c1ccc2c(c1)nc(C)n2C)C(=O)OC 69445103 MDIWNEGLRRDFBU-INIZCTEOSA-N 303.362 1.953 0 40 DDAB CC(C)OCCC(=O)NS(=O)(=O)c1cccc2cnccc12 69593252 APVKNIWSZTZEMD-UHFFFAOYSA-N 322.386 1.855 0 40 DDAB CCc1nc(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)sc1C 69517675 ANNGFPOYXQYAHB-LLVKDONJSA-N 321.446 1.684 0 40 DDAB O=C(CCn1cccn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91765825 LNYOLLYXWQNXAK-IUODEOHRSA-N 321.327 1.886 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN[C@H]1CCc2ncnn2C1 69707482 PLYMVXSSWKJBFT-JSGCOSHPSA-N 311.389 1.160 0 40 DDAB C[C@@H](O)CN1CCN(Cc2ccc(F)c3cccnc23)CC1 69847046 HMEJZLBLCJZTAT-CYBMUJFWSA-N 303.381 1.872 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 69876576 VUCYXIZQVJGAAI-HNNXBMFYSA-N 306.406 1.532 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1cnn(-c3ccccc3)n1)CC2 69928162 PFVOCLAGUQAPBS-ZDUSSCGKSA-N 323.404 1.526 0 40 DDAB C[C@@H](COCc1ccccc1)C(=O)N1CCN(C[C@@H](C)O)CC1 69967840 YYWYSUQNISEXFS-JKSUJKDBSA-N 320.433 1.364 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(c1ccc3nccnc3n1)CC2 95400775 CKQSFYVNYJDQHM-KGLIPLIRSA-N 314.389 1.781 0 40 DDAB CC(C)COC(=O)N1CCCN(C(=O)[C@H]2CCO[C@H]2C)CC1 92374470 MDYAFTCXRNSNSS-KBPBESRZSA-N 312.410 1.738 0 40 DDAB CO[C@H]1CNC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F 94599854 OHFQVVHBTREXQE-ZJUUUORDSA-N 306.259 1.561 0 40 DDAB CCc1nc([C@H]2CCCN2Cc2nnc(C3CC3)n2C)no1 72279386 JXWRUSYRYQGGEC-LLVKDONJSA-N 302.382 1.975 0 40 DDAB COCCc1nnc(SCc2cn3c(C)cccc3n2)n1N 72302602 BXHALDDTQMOMMN-UHFFFAOYSA-N 318.406 1.429 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C(N)=O)c1ccc(F)cc1 89948731 HKUISZCBEUSFBV-KCXAZCMYSA-N 321.396 1.589 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1scnc1C)CC2 89986405 IRISJAVKMUTXMO-RYUDHWBXSA-N 310.419 1.844 0 40 DDAB COCCC1(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 95979368 BUWBKUAJVJLCDJ-UKRRQHHQSA-N 320.433 1.805 0 40 DDAB C[C@H](C(=O)N1CCC(C2OCCO2)CC1)N1CCCCCC1 95962362 LAYRTNKTISFLJM-CQSZACIVSA-N 310.438 1.862 0 40 DDAB NC(=O)c1cccc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)c1 95964053 OBMYJOVRXHAICH-INIZCTEOSA-N 313.401 1.939 0 40 DDAB CCNc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)CCC2 20673147 LFXJWRPJTMUTST-UHFFFAOYSA-N 317.393 1.129 0 40 DDAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(C)C1=O 409195620 UJIGLJLDJOWXRX-DHZHZOJOSA-N 304.302 1.151 0 40 DDAB Cc1cc(O)ccc1CC(=O)N[C@H](C)c1nnnn1C1CC1 1548691770 BNKZJLWEFZJHSF-SNVBAGLBSA-N 301.350 1.442 0 40 DDAB CN1[C@H]2CC[C@@H]1CN(C(=O)c1nnc3n1CCCCC3)CC2 67878146 QLJCLQWORWYMCX-QWHCGFSZSA-N 303.410 1.313 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306140111 UKFGVHDZVCLGKE-KBMXLJTQSA-N 316.401 1.872 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1Br 123657387 USGKWRXWQRDVIV-ZCFIWIBFSA-N 319.586 1.967 0 40 DDAB CC1(C)CN(c2ncnc3n[nH]cc23)C[C@@H](C(F)(F)F)O1 522055114 ZMPPVPFJTVWEJW-QMMMGPOBSA-N 301.272 1.899 0 40 DDAB Cc1sc(-n2cnnn2)c(C(=O)NCCn2cccc2)c1C 524735371 YCVOMOTXCRXVIG-UHFFFAOYSA-N 316.390 1.572 0 40 DDAB O=C(c1cn2cccnc2n1)N1CCC[C@@H]1c1ccc(O)nn1 530075415 IPKKURQIJNSTTB-GFCCVEGCSA-N 310.317 1.202 0 40 DDAB O=C(Nc1nccs1)C1=C(O)CN(c2ccccc2)C1=O 217439136 FYKHWQLMBRMCRB-UHFFFAOYSA-N 301.327 1.941 0 40 DDAB Cc1nnsc1C(=O)NC[C@](O)(c1ccccc1)C1CC1 70966001 KHJBMXISUMNMOH-HNNXBMFYSA-N 303.387 1.874 0 40 DDAB CCN(C[C@H]1CCN(CCN)C1)C(=O)OCc1ccccc1 79411566 PXWKDVJZKRAZMV-INIZCTEOSA-N 305.422 1.926 0 40 DDAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccn2C)C1 78337383 LYJGNUMQSVQNJF-UPBLURMWSA-N 311.451 1.904 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)C1=NO[C@@H](c2ccccc2)C1 69776972 SXIOFXUURGBALJ-LLVKDONJSA-N 313.317 1.273 0 40 DDAB CC(=O)NC1CCN(c2cc([C@@H]3CCCN3)nc(C)n2)CC1 72365378 NKINUAFGKJSAQA-AWEZNQCLSA-N 303.410 1.314 0 40 DDAB O=c1[nH]ncc(N2CCN(Cc3cccc(F)c3)CC2)c1Cl 72239488 MGYOWPNUPFOSEY-UHFFFAOYSA-N 322.771 1.885 0 40 DDAB COc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1 79439094 HMKKEALYLZNMIB-LLVKDONJSA-N 308.382 1.931 0 40 DDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@@](C)(C(=O)O)C1 62913581 ZQSXVAQOMJBAKD-ISZGNANSSA-N 311.769 1.718 0 40 DDAB CCc1cc(N2CCC(NS(=O)(=O)C3CC3)CC2)ncn1 175313783 BHGXBHROAILAEX-UHFFFAOYSA-N 310.423 1.090 0 40 DDAB O=C([C@H]1CN(c2cccc(F)c2)CCO1)N1CCC(O)CC1 72366442 RSXHEARGFGNLTJ-OAHLLOKOSA-N 308.353 1.014 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2cccc3[nH]ccc23)CCO1 72379927 AKRIASQXZCLZCN-QGZVFWFLSA-N 301.390 1.847 0 40 DDAB Cc1cccc(CN2CCN(C[C@@H](O)CN3CCCC3)CC2)c1 48366652 KQQBGDHEGMRUGS-IBGZPJMESA-N 317.477 1.569 0 40 DDAB CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1nnc(C)n1C1CC1 569512965 GLWQCDBNGZHXNE-OWCLPIDISA-N 320.437 1.937 0 40 DDAB Cc1noc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 44454126 PDTXTOGYZJCUHB-SNVBAGLBSA-N 318.308 1.186 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)N1 195556031 RIIJVOUFVUGWKI-UTUOFQBUSA-N 305.378 1.013 0 40 DDAB CCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(C)cc(C)c1 194619495 VKLFCEPXJKXTTA-JOCHJYFZSA-N 324.446 1.859 0 40 DDAB CCOC(=O)c1csc(=O)n1Cc1nnsc1Cl 97096246 UDUOPGANLFKHBC-UHFFFAOYSA-N 305.768 1.640 0 40 DDAB CC(C)CCNC(=O)CN1C(=O)[C@@H](C)N=C(O)c2ccccc21 97531599 WDNYFOLDTKIDSG-GFCCVEGCSA-N 317.389 1.889 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053695 VZIQSCGGUVHCHJ-JSGCOSHPSA-N 313.382 1.878 0 40 DDAB CC[C@@H](C)N(C)C(=O)[C@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 96239500 WXPAQLYFHJNNOG-TZMCWYRMSA-N 320.389 1.910 0 40 DDAB COCCN1CC2(CCN(C3CCC3)CC2)[C@H](COC)C1=O 96206425 ZTVVNJRRQRJBSQ-OAHLLOKOSA-N 310.438 1.372 0 40 DDAB O=C(NC1CCC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96038877 NLHQSLQMTVGCQV-BFHYXJOUSA-N 321.446 1.649 0 40 DDAB Cc1ccc(I)cc1C[C@H](N)C(=O)O 238502734 LZZKZHLFOKVYEW-VIFPVBQESA-N 305.115 1.554 0 40 DDAB CCS(=O)(=O)N1CCC2(CN(Cc3ccsc3)C2)C1 96202678 UCFHJLKIKQQMPC-UHFFFAOYSA-N 300.449 1.606 0 40 DDAB CCc1ccc(CNS(=O)(=O)c2[nH]ncc2C(=O)OC)cc1 96511487 HEWXRSFPQRIAEG-UHFFFAOYSA-N 323.374 1.237 0 40 DDAB CCCS(=O)(=O)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 96189757 XCXMTTYYPBXJEX-AWEZNQCLSA-N 324.446 1.445 0 40 DDAB NCCCNS(=O)(=O)Cc1ccc(Br)cc1 95432008 SRUMPWHUQNJLOI-UHFFFAOYSA-N 307.213 1.217 0 40 DDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)cn1 96063985 CQYQSYRDCCHKLP-JKSUJKDBSA-N 311.389 1.304 0 40 DDAB Cc1ccc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@H]32)o1 248098548 NFBMBQQFMJIPPX-NUEKZKHPSA-N 302.378 1.859 0 40 DDAB CCO[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1 253387198 ZNDPPZWIVUFNRE-CYBMUJFWSA-N 316.361 1.810 0 40 DDAB Cc1cncc([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257298365 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DDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1 575404010 KWNVKFJINSMPEH-GFCCVEGCSA-N 305.465 1.711 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406500 XZOBRPBYNDOYAE-MGPQQGTHSA-N 302.374 1.876 0 40 DDAB CCCn1ccnc1CN1CCC[C@]1(COC)CC(=O)N(C)C 585276785 JABNEPTVDYTATI-QGZVFWFLSA-N 322.453 1.752 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cccc3ncccc23)[C@@H]1O 585286559 LFPUTZAICVDQSD-OAGGEKHMSA-N 316.357 1.082 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@]1(C(=O)O)CCc2ccccc21 671667050 VPCUDOSCAQMHMX-INIZCTEOSA-N 300.314 1.948 0 40 DDAB Cc1cn(CC(=O)N2CCCO[C@H](CN)C2)c2ccccc12 1549123943 JWWMEFMEMPFGFD-CQSZACIVSA-N 301.390 1.526 0 40 DDAB CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 36878853 VNJLKQJSJOVRJP-GFCCVEGCSA-N 318.439 1.163 0 40 DDAB in-vitro O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 45741570 DZXGBUKXBPUDRD-AWEZNQCLSA-N 308.403 1.122 0 40 DDAB O=c1[nH]c(=O)n(Cc2csc(-c3ccccn3)n2)cc1Cl 76092629 DQYMHWNPPUECQC-UHFFFAOYSA-N 320.761 1.757 0 40 DDAB O=C(Cc1ccccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1 85436681 CIQMTXKQRXHCNP-INIZCTEOSA-N 322.836 1.798 0 40 DDAB O=C(c1ccccc1)C1(O)C[C@H]2COC[C@@H](C1)C21OCCO1 1772715096 WWKHPCVORAZEMI-MZBDJJRSSA-N 304.342 1.400 0 40 DDAB Cc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)no1 5492006 OTMWYOFEFZNQRD-UHFFFAOYSA-N 302.269 1.414 0 40 DDAB CCCCN1CC2=C(C1=O)[C@H](c1ccc(OC)cc1)NC(=O)N2 12346276 BFJUZFYEEFAYNN-HNNXBMFYSA-N 315.373 1.946 0 40 DDAB CCNC(=O)[C@@H](C)NS(=O)(=O)C1=Cc2ccccc2CC1 12750953 CWSVKIRVFTYWAD-LLVKDONJSA-N 308.403 1.418 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1COc2ccccc2O1 14247092 ZIOINCMDSNONLE-ZDUSSCGKSA-N 305.330 1.730 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCc2ccccc2C1 17030669 XEZFFERJUYWIDH-QPSCCSFWSA-N 301.342 1.450 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(=O)n1C 19131841 OLGKOGJRHXFFJV-UHFFFAOYSA-N 323.356 1.586 0 40 DDAB Cc1nonc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C 19559158 GFQIEGFSNXLJQS-UHFFFAOYSA-N 321.309 1.099 0 40 DDAB Cc1ccc2nc(SCC(=O)NC3CCCC3)nc(=O)n2c1 4503639 NCBYEZPOMFQLSM-UHFFFAOYSA-N 318.402 1.549 0 40 DDAB O=S1(=O)CCN(Cc2ncccc2Cl)[C@H]2CCC[C@H]21 528518681 JRTCOJNBXBAJSC-QWHCGFSZSA-N 300.811 1.887 0 40 DDAB CC(C)(C)c1ccc(N2CCO[C@H](C(=O)N3CCCC3)C2)nn1 1889096253 OBJMBNANCRKSKY-ZDUSSCGKSA-N 318.421 1.602 0 40 DDAB O=C([C@H]1CCCN(Cc2ccccn2)C1)N1CCSCC1 1889099110 PXWWXNFDRIOPEA-AWEZNQCLSA-N 305.447 1.869 0 40 DDAB CC1CC(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NC3CC3)C2)C1 1565545074 ABFDZBCBXFQXIW-QGCFOGRNSA-N 306.406 1.175 0 40 DDAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(N)(=O)=O)cc2)n1C 4727445 ZEPRQSLYVFQUPM-UHFFFAOYSA-N 309.391 1.255 0 40 DDAB CCN(CC)c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 12069946 ONEQLQDZIUYHIV-UHFFFAOYSA-N 300.362 1.879 0 40 DDAB CN([C@H]1CCCN(Cc2cccnc2)C1)S(=O)(=O)C1CC1 2086889406 SVIMFCNHAJAOTH-AWEZNQCLSA-N 309.435 1.470 0 40 DDAB O=C(NCc1nccnc1-c1ccoc1)NC1CCOCC1 575621338 VETLVCZLNJCDDC-UHFFFAOYSA-N 302.334 1.715 0 40 DDAB Cc1cc2ncnc(N3CCn4c(nnc4C(F)(F)F)C3)c2[nH]1 2298049390 WPHHCQAUCYVPGO-UHFFFAOYSA-N 323.282 1.897 0 40 DDAB Cc1ccnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298050224 PDCTWCVZWMZSOO-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB CCCCOC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 23118551 OMWQAYKNWBDGGU-INIZCTEOSA-N 322.449 1.995 0 40 DDAB Cc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 68868514 HRRXGWOCTDZWCV-UHFFFAOYSA-N 317.322 1.646 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 22322697 BXESQGIFAKSNRG-UHFFFAOYSA-N 312.325 1.224 0 40 DDAB CC/C(NC1CC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 101081998 MJMPDDCRJLXVNW-WYMLVPIESA-N 313.357 1.994 0 40 DDAB O=c1c2ccccc2nnn1C[C@H](O)COCc1cccs1 40477417 FDKKVFLUEOJWEK-NSHDSACASA-N 317.370 1.431 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 193729 UUUIEHQIRWHFLW-CQSZACIVSA-N 320.345 1.847 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cnn(C)c2)o1 40528039 JDQPMNHOALOVJM-GWCFXTLKSA-N 309.391 1.957 0 40 DDAB Cn1c(CN2CCCc3cc(F)cc(F)c32)cc(=O)n(C)c1=O 40511307 YBFNRXXAYRPEJL-UHFFFAOYSA-N 321.327 1.315 0 40 DDAB COc1cccc(/C=C/C(O)=C2\C(=O)NC(=O)N(C)C2=O)c1 101416480 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CN(C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(C(N)=O)cc1 79243744 FZGRIAVSEHWWFO-INIZCTEOSA-N 323.352 1.942 0 40 DDAB Cc1cnn([C@@H]2CCCN(CC(=O)NC3CCOCC3)C2)c1 105901861 KEPRGXYQIVWNCP-OAHLLOKOSA-N 306.410 1.124 0 40 DDAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cccnc1 6962566 PJMBGPCUWITMKD-QPEQYQDCSA-N 309.329 1.591 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1cccn1 24973183 URDMYBOIXHGCCL-UHFFFAOYSA-N 311.345 1.168 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)c1 10044269 JYGYHMIXUJPWKX-OAHLLOKOSA-N 318.398 1.808 0 40 DDAB CS(=O)(=O)c1cc(C(=O)O[C@@H]2CCOC2=O)ccc1Cl 10242028 AVEMXKGDAHPOKC-SECBINFHSA-N 318.734 1.216 0 40 DDAB Nc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1Cl 3273349 REWMSOZNKAJQPF-UHFFFAOYSA-N 308.721 1.988 0 40 DDAB CC(=O)NCCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58281781 RZIZHFYCGYVUJX-CYBMUJFWSA-N 323.824 1.809 0 40 DDAB COc1ccc(CC(=O)N2CCc3nc[nH]c3C2)cc1OC 74885528 LZGPJAGYWCRMRH-UHFFFAOYSA-N 301.346 1.554 0 40 DDAB O=C(O)c1ccnc(-c2ccnc(NC[C@@H]3COCCO3)n2)c1 72481355 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Cn1cc(CNC(=O)N2CCC[C@H]2CO)c(-c2ccccc2)n1 96008161 BLXOXBKNUAQXJE-HNNXBMFYSA-N 314.389 1.753 0 40 DDAB Cc1cncc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 79413877 FBROCOZGHSXEKD-UHFFFAOYSA-N 311.389 1.789 0 40 DDAB CCN(CC)S(=O)(=O)NCc1noc(-c2ccco2)n1 49470593 VHTGUGXFSMDENK-UHFFFAOYSA-N 300.340 1.006 0 40 DDAB CC[C@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1C[C@@H](C)O 84736477 XLMHVTGJYRYODE-OLZOCXBDSA-N 320.412 1.979 0 40 DDAB CN(C(=O)[C@H](CC(=O)O)NCc1ccco1)c1ccccc1 5024279 VDVCXXAPNWWKIR-AWEZNQCLSA-N 302.330 1.876 0 40 DDAB CC(C)[C@H](CNC(=O)c1c(O)cccc1O)N1CCOCC1 95410477 PVQZOHQHCXXLCF-LBPRGKRZSA-N 308.378 1.184 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 65474640 YMWVMSQOZIIIHC-BFVZDQMLSA-N 322.792 1.756 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1c(C)nc3ccccc31)C2 65462539 OMMCDFGNQACSNO-AWEZNQCLSA-N 323.400 1.981 0 40 DDAB CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)c1 95421711 HWAKGGONBLQIDK-NEPJUHHUSA-N 322.434 1.740 0 40 DDAB CN(C(=O)Nc1cc(Br)cn(C)c1=O)C1CC1 83584098 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COCCCNC(=O)c1nc(-c2c[nH]c3ccccc23)no1 20717856 MQEKUFSMTDFCLL-UHFFFAOYSA-N 300.318 1.984 0 40 DDAB O=C(NCCc1cccc(O)c1)N[C@@H]1CCn2ccnc2C1 548281432 ILLMJROUOYXPNB-CYBMUJFWSA-N 300.362 1.445 0 40 DDAB CCn1c(=O)n(CC(=O)NCc2ccco2)c2cccnc21 72346857 ZYKYXUQGGWPTGP-UHFFFAOYSA-N 300.318 1.127 0 40 DDAB COc1ccccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409381637 IDIOINGPZHNUIN-BRXULGCHSA-N 303.314 1.678 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](c3cccc(C(N)=O)n3)C2)n1 72369164 IOJQHZSWFLDORV-CYBMUJFWSA-N 311.389 1.971 0 40 DDAB COCCNc1cc(C2CCN(S(C)(=O)=O)CC2)ccn1 72364905 JHZPROHEZUOVBC-UHFFFAOYSA-N 313.423 1.279 0 40 DDAB CCOc1ccccc1CN1CCN(S(C)(=O)=O)[C@@H](C)C1 181590336 UMEXXQVGNZEZSB-ZDUSSCGKSA-N 312.435 1.551 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218596206 AIFNAENWTBVKJZ-IHRRRGAJSA-N 301.383 1.460 0 40 DDAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)N=c1[nH]cc[nH]1 72402180 UWUPNOCIVXVZRP-UHFFFAOYSA-N 324.340 1.362 0 40 DDAB COc1cc(CCC(=O)Nc2nnc([C@@H]3CCCO3)s2)on1 79476145 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CO[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108557 DFMFSQRZOYJOAV-NUEKZKHPSA-N 316.405 1.048 0 40 DDAB CCCS(=O)(=O)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158289 JHECSLBPEFWQME-HNNXBMFYSA-N 324.450 1.509 0 40 DDAB NS(=O)(=O)CCN1CCC[C@@H]1[C@@H]1CCCc2ccccc21 95407314 YFYJZNJCXFUCKB-HZPDHXFCSA-N 308.447 1.859 0 40 DDAB c1csc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)c1 96056247 PIPNBQUGPINKBM-BHYGNILZSA-N 322.474 1.917 0 40 DDAB Cc1ccnc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c1 96344806 AVIRNZFINKADFC-CYBMUJFWSA-N 324.340 1.469 0 40 DDAB Cc1ccc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c(O)c1 535615500 DKKQDIMFGADLFD-LBPRGKRZSA-N 307.346 1.797 0 40 DDAB COc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)on1 90609951 LCHZBGUGZOMTPE-UHFFFAOYSA-N 306.318 1.673 0 40 DDAB O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)N1CCCN(C(=O)C2CC2)CC1 249085919 FKSOVYDGYFHMFM-BYNSBNAKSA-N 317.433 1.685 0 40 DDAB O=C(CO)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257273779 NIDRIERJYUJKIW-UHFFFAOYSA-N 313.361 1.314 0 40 DDAB CNC(=O)c1cnn(CC2CCN(c3cc(C)ncn3)CC2)c1 257311519 UJWUWRHLQWKOSJ-UHFFFAOYSA-N 314.393 1.258 0 40 DDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1ncccn1 257287528 PQJCHBUZMIPJBX-AWEZNQCLSA-N 312.377 1.553 0 40 DDAB Cc1ccnc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257340788 ZHOITTZHZVBEEU-AWEZNQCLSA-N 319.386 1.547 0 40 DDAB Cc1ccc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)nc1 257302872 SETHJENFFXUZCF-HNNXBMFYSA-N 313.357 1.302 0 40 DDAB COCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575403304 HQURSFJLJMZQSR-JTQLQIEISA-N 312.366 1.332 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccco2)C1 575406286 WNEHNDHYRQFSQW-AWEZNQCLSA-N 316.361 1.476 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585098709 XTRLALPCUMXDKD-CYBMUJFWSA-N 316.405 1.383 0 40 DDAB Cn1cccc1C(=O)NCc1ccc(OCC(F)(F)F)nn1 585140672 IRFSUUOIRVVKAK-UHFFFAOYSA-N 314.267 1.686 0 40 DDAB CCc1cccc(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)c1 585141064 OQBSOERJXFIGOC-UHFFFAOYSA-N 322.386 1.204 0 40 DDAB CN1C[C@H](NC(=O)c2cc(-c3cccc(Cl)c3)no2)CC1=O 69453803 NUUOMQFQDIVFEJ-LLVKDONJSA-N 319.748 1.956 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 71881138 KRQQAMKWCSGMPL-CVEARBPZSA-N 306.406 1.289 0 40 DDAB NC(=O)c1ccc(CNC(=O)[C@@H]2CCCc3ccccc32)cn1 75108978 JJHMLVVZQTZERF-OAHLLOKOSA-N 309.369 1.917 0 40 DDAB C[C@@H](CO)NC(=O)Nc1ccc(I)cc1 58281152 OPQUGGDKGZHCKN-ZETCQYMHSA-N 320.130 1.794 0 40 DDAB Cc1cnc(OC2CCN(C(=O)NC[C@H]3CCCO3)CC2)nc1 653478032 RJNGGHFZBLFFMP-CQSZACIVSA-N 320.393 1.517 0 40 DDAB Cc1nn(CC(=O)NC2CCC2)c(=O)c2cc3occc3n12 12115447 RNCKBFIVYBYBBY-UHFFFAOYSA-N 300.318 1.219 0 40 DDAB O=C1[C@H]2[C@@H]([C@H]3CO[C@@H]1O3)[C@H]2C(=O)c1ccc(Br)cc1 15163368 PGHKUIMAONOIHP-AHMQBVQWSA-N 323.142 1.818 0 40 DDAB Cc1nc(Cc2noc(C[C@H](O)c3cccc(F)c3)n2)no1 158003729 NRPNDSLLLYCWJN-NSHDSACASA-N 304.281 1.767 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)c1 238851246 JINFGWJBMHTYPB-CQSZACIVSA-N 322.434 1.898 0 40 DDAB Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1 5335951 BEPXSNSHXLSWDO-UHFFFAOYSA-N 321.406 1.793 0 40 DDAB COc1nc(OC)nc(N2CC[C@H](Oc3ccncc3C)C2)n1 1889114111 IKQSDJXUBORSEE-NSHDSACASA-N 317.349 1.250 0 40 DDAB CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1COC2=O 15081260 OJUQIHOOTDMJEN-NSHDSACASA-N 323.146 1.956 0 40 DDAB COc1nn(C)cc1C(=O)NCCn1cc(-c2ccco2)cn1 575615226 NCDZRYWYFSVUEA-UHFFFAOYSA-N 315.333 1.315 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCc1ccc(-c2ccoc2)o1 575609696 DULDHVRVSCTEFP-UHFFFAOYSA-N 302.286 1.305 0 40 DDAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cnccn1 225753927 PYEJWAGZUCKLMD-UHFFFAOYSA-N 312.377 1.476 0 40 DDAB Cc1cc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)nc(C)n1 365610572 JZADXKIMKXHJEE-UHFFFAOYSA-N 324.450 1.486 0 40 DDAB CCCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 70269143 DYHNDRYCUGINJO-UHFFFAOYSA-N 309.391 1.636 0 40 DDAB CN1C(=O)c2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2C1=O 30117993 VWYGJQHJKRDMBD-UHFFFAOYSA-N 324.340 1.626 0 40 DDAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C 193537 ZHEQPDBCCAEDFS-XQRVVYSFSA-N 300.771 1.195 0 40 DDAB biogenic C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccccc2F)C1=O 32750891 WUDPXOLVKRHGBG-MEDUHNTESA-N 322.336 1.286 0 40 DDAB O=C(c1ccc(O)c(Cl)c1)N1CCN(c2cnccn2)CC1 32893677 OTRYZUUTWGLODK-UHFFFAOYSA-N 318.764 1.798 0 40 DDAB CN(C)C(=O)COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 32800746 MHHRQUKMTWZCDZ-UHFFFAOYSA-N 315.329 1.094 0 40 DDAB NC(=O)C1(CNC(=O)[C@H]2CCCc3ccccc32)CCOCC1 52744246 PTBYVLFZUOUFEQ-HNNXBMFYSA-N 316.401 1.505 0 40 DDAB CCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1OC 539501 WAZCXVSDYVKRFF-VIFPVBQESA-N 308.359 1.499 0 40 DDAB CCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 2873564 SFLJLEDMGQEGDE-UHFFFAOYSA-N 322.789 1.771 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 22900122 GZMNCIYSYXOMLB-IJCFTNORSA-N 319.361 1.706 0 40 DDAB COC(=O)CSc1nnc(COc2ccc(OC)cc2)o1 421348 ASHWCFUZJXRFAI-UHFFFAOYSA-N 310.331 1.922 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(-n2cncn2)nc1 47526896 JXZXTGZHGIUMHI-GFCCVEGCSA-N 316.365 1.553 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cccc2)cc1 42383672 SZZXCZDSDFOAEX-ZDUSSCGKSA-N 318.398 1.642 0 40 DDAB Cc1nc(Cc2noc(CCn3c(C)csc3=O)n2)no1 78774047 KRLUUVJQJCIXCO-UHFFFAOYSA-N 307.335 1.126 0 40 DDAB CN(C)CCCC(=O)NCc1ccc(Cn2ccnc2)cc1 72301604 XOHPTWBZVBWMDM-UHFFFAOYSA-N 300.406 1.889 0 40 DDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1 3536907 OUULCEMTEAPMEG-NSHDSACASA-N 311.407 1.147 0 40 DDAB CC(C)[C@@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)O 4760561 XCUDDGWXYCDJGM-CQSZACIVSA-N 322.361 1.480 0 40 DDAB COc1cc2c(cc1OC)[C@H]1Cc3ncncc3C(=O)N1CC2 1384259 BQAIMIXCPBEADV-CQSZACIVSA-N 311.341 1.790 0 40 DDAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCC(C(N)=O)CC1 8558384 GPFJSRXXMAUCAD-OAHLLOKOSA-N 304.390 1.876 0 40 DDAB COc1ccccc1CN[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C 106918575 NKWGINGTZLPXAF-GXTWGEPZSA-N 312.435 1.455 0 40 DDAB Cc1csc2nc(CS[C@H](C)C(=O)NC3CC3)cc(=O)n12 56221295 CTPUTCYLBBMLOV-SECBINFHSA-N 323.443 1.965 0 40 DDAB C[C@@H](NC(=S)NC[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 44219962 YKAUDFQQWMOCDS-MFKMUULPSA-N 319.430 1.885 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)CN3CCSC3=O)cc12 48236809 SFEIIKGOFVLFKG-UHFFFAOYSA-N 305.363 1.384 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 26866305 YQUWRBRXWRZFCF-LBPRGKRZSA-N 308.359 1.573 0 40 DDAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)[C@@H]1CCOC1 58014179 YHKCLECMAXHFQB-SECBINFHSA-N 316.279 1.954 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1sccc1-n1cccc1 48262769 DBESXCPPJOJQAX-CYBMUJFWSA-N 319.430 1.989 0 40 DDAB C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N1CCCC1 58193706 DISLLEATCKGLCZ-VIFPVBQESA-N 318.345 1.254 0 40 DDAB O=C(NCCc1ccsc1)N1CCN(C[C@H]2CCCO2)CC1 58217164 PSORVOFBZMQQSP-OAHLLOKOSA-N 323.462 1.797 0 40 DDAB COc1ccc(N(C)C(=O)CNC(=O)NC2CCCCC2)cn1 58269768 DAFPKXXYZVHVDE-UHFFFAOYSA-N 320.393 1.685 0 40 DDAB CCOCCS(=O)(=O)Cc1nccn1Cc1ccccc1 97325593 CIRXEYBEQAPRAQ-UHFFFAOYSA-N 308.403 1.883 0 40 DDAB CC(C)CCN(C)C(=O)CCn1nnc2ccccc2c1=O 44909669 MAVDNIOINCLORC-UHFFFAOYSA-N 302.378 1.686 0 40 DDAB Cc1cccc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)n1 97378778 NBXYFMVAXIXZMT-ZDUSSCGKSA-N 300.366 1.926 0 40 DDAB C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)N1CCOCC1 58378960 ZEJVMJTXEOWQAA-ZDUSSCGKSA-N 316.401 1.081 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)CSC)CC2)C1=O 108534065 YJLCFERKBYHJCU-HNNXBMFYSA-N 314.451 1.227 0 40 DDAB CCc1cccc2c1N(Cc1nc(CS(C)(=O)=O)no1)CC2 72631467 USULPJPBMMFDMT-UHFFFAOYSA-N 321.402 1.739 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c1 100664156 KVMAWRQFOJLWOB-BXLXJSPXSA-N 309.321 1.942 0 40 DDAB CCCCO[C@H](C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 48356683 KXJYZXCWWMYTIM-KGLIPLIRSA-N 306.410 1.767 0 40 DDAB CNC(=O)N(C)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 2334124 PTFPCGDKFNGNJT-GFCCVEGCSA-N 320.267 1.385 0 40 DDAB O=C([C@@H]1CSCN1C(=O)CC1=CCCCC1)N1CCOCC1 95389652 IRQCXAKFPSUGFP-AWEZNQCLSA-N 324.446 1.637 0 40 DDAB O=C(O)CC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 2456539 QMFJROXLBMGMDG-UHFFFAOYSA-N 310.737 1.099 0 40 DDAB Cc1nnc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)o1 10214706 SKJPCROCLGLGBN-OAHLLOKOSA-N 314.301 1.108 0 40 DDAB Cc1cn2nc(N3CCN(Cc4cc(C)on4)CC3)sc2n1 45724728 NJPOKBHKGDMWLT-UHFFFAOYSA-N 318.406 1.718 0 40 DDAB CN(CC(=O)NCCCc1ccccc1)c1ncnc2[nH]cnc12 45978386 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C[C@H](NC(=O)Cn1cnnn1)c1ccc(Cl)cc1Cl 15997023 RRJXRWBAHUIIIX-ZETCQYMHSA-N 300.149 1.857 0 40 DDAB CC(C)c1ccc(CNC(=O)C(=O)NCCCCCO)cc1 408707551 OHERSTCFWOHCQM-UHFFFAOYSA-N 306.406 1.705 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1 7907227 QWVHEIIKDRFENA-UHFFFAOYSA-N 319.342 1.386 0 40 DDAB OCC[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1F 9550254 FODWSWMDNITICW-HZPDHXFCSA-N 311.397 1.940 0 40 DDAB CCc1noc(Cn2c(NC[C@H](C)O)nc3ccccc32)n1 69161169 QTFXBMKZCZZOAZ-JTQLQIEISA-N 301.350 1.823 0 40 DDAB CCOc1ccccc1N1CCN(C(=O)CCNC(C)=O)CC1 8290982 IPLOJWBMVIGBLE-UHFFFAOYSA-N 319.405 1.260 0 40 DDAB CN1CCO[C@@H](CNCc2c(Cl)nc3sccn23)C1 69351983 WEUPADDCANRTPH-VIFPVBQESA-N 300.815 1.469 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCNc2ncc(S(N)(=O)=O)s2)C1 69487110 BMEIHNOIVKNJLX-NXEZZACHSA-N 318.468 1.180 0 40 DDAB CO[C@@H](C(=O)N[C@@H](C)C(=O)NC1CCCC1)c1ccccc1 69588312 MJHIWYLGHZFSOQ-SWLSCSKDSA-N 304.390 1.938 0 40 DDAB O=C(CN1CCCC[C@H]1Cn1cncn1)NC(C1CC1)C1CC1 71876313 VWFPNLRWNQOKEZ-HNNXBMFYSA-N 317.437 1.437 0 40 DDAB c1ccc(-n2cc(CN3CCCC[C@@H]3Cn3cncn3)nn2)cc1 69705994 SXRBPOMMQVLMFP-QGZVFWFLSA-N 323.404 1.914 0 40 DDAB CN1C[C@H](C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC1=O 69844120 FGJDZHASTYEBSG-SNVBAGLBSA-N 318.764 1.943 0 40 DDAB c1ccc(Cn2ccnc2Sc2ccc3nnnn3n2)nc1 71904247 WKUVWQANWNEKRZ-UHFFFAOYSA-N 310.346 1.310 0 40 DDAB NC(=O)CN(C(=O)Cc1ccc(O)cc1Cl)C1CCCC1 95430689 YNFFJIYNJGSILK-UHFFFAOYSA-N 310.781 1.845 0 40 DDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cnn(C(C)(C)C)c1 72275634 GMTBAEJXQHGIJD-OCCSQVGLSA-N 323.393 1.649 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 72235376 RUEXWKMUUSWBAD-CYBMUJFWSA-N 315.377 1.776 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[C@H](O)C1 97136110 PBRUJRVONZVWIZ-RYUDHWBXSA-N 302.296 1.936 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CCOCC1 95953275 PASGRNNWBBUHDI-QGZVFWFLSA-N 316.401 1.818 0 40 DDAB CC(C)N(C)C(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 95971039 CHNPGWPGDDZWLT-INIZCTEOSA-N 317.433 1.925 0 40 DDAB CC(C)[C@@H](C(=O)N(C)[C@H](C)C1(C)CC1)N1CCCS1(=O)=O 95982210 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DDAB Cc1cc(CCC(=O)N2CCCC2)nc(C2CCNCC2)n1 72366413 NAKKUZHUURZNLD-UHFFFAOYSA-N 302.422 1.807 0 40 DDAB Cn1nccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1 72343076 XJXODZHBDAKOBG-VMZNBEPHSA-N 312.373 1.470 0 40 DDAB Cn1cc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)cn1 89959333 KXLGUOMHMGBFGZ-UHFFFAOYSA-N 302.725 1.907 0 40 DDAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCO[C@@H](C(=O)O)C1 532002204 IVKVXWANNRGLBH-OAHLLOKOSA-N 321.373 1.809 0 40 DDAB COCCN1CCN(C(=O)NC2CC2)Cc2ccc(C)nc21 96199051 GBFDRTFOFRSWEG-UHFFFAOYSA-N 304.394 1.530 0 40 DDAB CCCS(=O)(=O)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158290 JHECSLBPEFWQME-OAHLLOKOSA-N 324.450 1.509 0 40 DDAB CCn1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)n1 98211885 GLOCIRIOXINNPL-UHFFFAOYSA-N 317.393 1.466 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccco3)C[C@@H]2C1 96054151 CHNNZJNPCJVTLK-ZIAGYGMSSA-N 312.373 1.664 0 40 DDAB CC(C)(C)OC(=O)N1CCC(O)(CNC[C@H]2CCCO2)CC1 95725645 QMIVLNMFESBERW-CYBMUJFWSA-N 314.426 1.517 0 40 DDAB c1cnc(N2CCC3(CC2)C[C@H](Nc2cnccn2)CO3)nc1 96224788 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CNC(=O)[C@@H]1CN(Cc2ccccc2OC)Cc2ccnn21 247915657 BFBOTVDIKBLNPI-AWEZNQCLSA-N 300.362 1.195 0 40 DDAB CCN1CCC(C(=O)N2CC3(C[C@H](CCOC)CCO3)C2)CC1 247839021 KFGQSFVZAVZMDL-OAHLLOKOSA-N 324.465 1.762 0 40 DDAB CN(C(=O)COc1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](O)[C@@H]1O 257270499 MUMHBFHVJJCMFB-YRGRVCCFSA-N 317.744 1.201 0 40 DDAB COCCN1CCC[C@@](CCCc2ccccn2)(C(N)=O)C1 257259261 KXNQOOBCWVLXCI-QGZVFWFLSA-N 305.422 1.618 0 40 DDAB COCCN1CCC(NC(=O)COc2cccc(OC)c2)CC1 85467961 VZBPZQJDVWTLLN-UHFFFAOYSA-N 322.405 1.301 0 40 DDAB CC(=O)N1CCC[C@H](c2cnc(-c3cnc(N)s3)cn2)C1 257319898 VUNUEBDZVROOGY-JTQLQIEISA-N 303.391 1.908 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc2[nH]cnc2c1 257219757 DIAAFGJMELKLGI-AWEZNQCLSA-N 311.345 1.808 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccc(Br)o1)c1ccccc1 53945047 XWGSRDRWDUJSCP-NSHDSACASA-N 323.146 1.999 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)c1 96025656 OBVBWFNLVORREY-CYBMUJFWSA-N 307.375 1.182 0 40 DDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)CC3CC3)C2)OC1 575406821 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CC(C)(CNC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 40509666 WADDDPWDMLJFPG-ZDUSSCGKSA-N 309.431 1.905 0 40 DDAB Nc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1 91252824 HQQLYVCIGTYROU-UHFFFAOYSA-N 300.327 1.800 0 40 DDAB CN1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1=O 95948255 BFVFMPWEPCFGIU-LSDHHAIUSA-N 302.374 1.455 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 106577559 AMSPFUGQZXZYAY-DLBZAZTESA-N 300.402 1.768 0 40 DDAB Cn1c(C(=O)NC2(CO)CCOCC2)cc(Cl)c1Cl 95997266 XMJHREAMHIZVOH-UHFFFAOYSA-N 307.177 1.603 0 40 DDAB CC1CCN(C(=O)CN2[C@H]3CC[C@@H]2c2snnc2C3)CC1 12235280 BSIDZDXAKKSHHL-WCQYABFASA-N 306.435 1.858 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)c1 13636923 LFLAFJKQWMPHKF-RYUDHWBXSA-N 322.386 1.317 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@H]1C[C@H]2CC[C@@H]1C2 13688755 RWQVTRRMQBFQPY-ZQNQSHIBSA-N 316.401 1.633 0 40 DDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc21 15327482 VGEBJAMLONHIOL-NSHDSACASA-N 310.419 1.918 0 40 DDAB O=C([C@@H]1C[C@]12CCOC2)N1CCC(O)(Cc2ccncc2)CC1 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CCNC(=O)c1nsc(C(=O)NCc2ccccc2F)c1N 49006214 UJUJABQSHNLLSO-UHFFFAOYSA-N 322.365 1.544 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](Oc2cnsn2)C1 618256145 DKVLJDAVFSRQSO-WCQYABFASA-N 319.386 1.985 0 40 DDAB COC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479148 CGEPLDWZUFZQKN-UHFFFAOYSA-N 318.720 1.409 0 40 DDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccco1 30276525 PYLFRFMICSVXEK-VIFPVBQESA-N 307.375 1.899 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C 30522262 GRZNZKHSDGATLX-CHWSQXEVSA-N 316.357 1.960 0 40 DDAB O=C(CCN1CCSC1=O)Nc1ccc(-n2cncn2)nc1 40493702 SWYLHXAQUBXXDI-UHFFFAOYSA-N 318.362 1.160 0 40 DDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3C[C@H]3C)c(C)c12 40523817 ALQUNMMXRMZLQZ-BXKDBHETSA-N 316.405 1.583 0 40 DDAB CN(C)[C@H](CNC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 40555022 KSBHJHNODVAFNF-UONOGXRCSA-N 319.405 1.466 0 40 DDAB CC(=O)Nc1nc(C(=O)NCCN2CCC(C)CC2)cs1 40534677 DIPNIZSSZPDAMH-UHFFFAOYSA-N 310.423 1.563 0 40 DDAB C[C@@H](C(=O)NCc1cccc(N2CCCC2=O)c1)n1cncn1 40523695 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O=C1c2sc3nccc(=O)n3c2C(=O)N1Cc1ccccc1 138594 OYDZQPFJIIOWKB-UHFFFAOYSA-N 311.322 1.552 0 40 DDAB CN1C[C@H](Nc2cc(C(F)(F)F)nc3ncnn23)CCC1=O 77992818 OBYFWOWEIGCHOV-SSDOTTSWSA-N 314.271 1.176 0 40 DDAB O=C(CN1CCC(=O)NC1=O)NCc1ccc(F)c(Cl)c1 78611950 ZVGQFVNHNSEIJQ-UHFFFAOYSA-N 313.716 1.037 0 40 DDAB CN1C[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CCC1=O 78841760 JFGQMBVJNAYZNH-GFCCVEGCSA-N 314.307 1.985 0 40 DDAB CCO/C=C/[C@@](O)(CNC(=O)c1cccnc1)C(F)(F)F 3188239 GPNRMOUBTALYQZ-HOSRBBHYSA-N 304.268 1.655 0 40 DDAB CCc1ccccc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1N 4985071 PUINSPMOPLRAPW-LBPRGKRZSA-N 315.377 1.321 0 40 DDAB CC(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 25046851 GUWAFZYLIZAMSI-ZJUUUORDSA-N 302.330 1.807 0 40 DDAB Cc1cc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)n(C)n1 43433624 SDLTXBLJAFEJQI-LBPRGKRZSA-N 310.304 1.862 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C[C@@H](O)COCc2ccco2)c1 106844111 SZICDBJGQPEMOR-HZPDHXFCSA-N 319.405 1.827 0 40 DDAB C[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)CO1 34892257 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COc1ccccc1[C@@H](C)N(C)C(=O)CCNS(C)(=O)=O 48286976 WFWRYRWKLOOTRS-LLVKDONJSA-N 314.407 1.154 0 40 DDAB COC(=O)c1ccc(OC(C)C)c(N[C@H](C)C(=O)NC(N)=O)c1 58268090 GCLBSUFYLAUPLR-SECBINFHSA-N 323.349 1.256 0 40 DDAB Cc1ncc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)s1 44972280 VQBHQCJJTPWLBF-QMMMGPOBSA-N 307.427 1.478 0 40 DDAB Cc1csc(CNC(=O)NCc2cccnc2N(C)C)n1 44952907 PWPDKAJXNVNTSW-UHFFFAOYSA-N 305.407 1.912 0 40 DDAB CCOC(=O)CCNC(=O)c1csc(-c2cnn(C)c2)n1 58423967 OOLLIGVKUAMBCE-UHFFFAOYSA-N 308.363 1.227 0 40 DDAB CC1(C)C[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C(=O)O1 95435815 HNBVNOVJSGBHIP-CYBMUJFWSA-N 316.357 1.859 0 40 DDAB Cc1nc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cs1 107251952 JNXUXXHGNKASSU-UONOGXRCSA-N 317.418 1.565 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)CS(=O)(=O)C[C@H]1CCCO1 45360168 WJGHSNULFSBODN-TZMCWYRMSA-N 323.414 1.558 0 40 DDAB CCc1ccc(CNC(=O)C(=O)NCCc2ccccn2)cc1 114426472 FJQGSKORJDNXIC-UHFFFAOYSA-N 311.385 1.619 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc2c(c1)OC(C)(C)C(=O)N2 57280400 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Cc1nnc2ccc(N(C)Cc3ccc([S@@](C)=O)cc3)nn12 96453921 MOBPWTLSNSUFAJ-QFIPXVFZSA-N 315.402 1.807 0 40 DDAB CO[C@@H]1CCC[C@@H]1OC(=O)CCN1C(=O)c2ccccc2C1=O 96405618 CKKZBKJSEBUGEH-KGLIPLIRSA-N 317.341 1.783 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1COc2ccccc2C1=O 95986911 GASNYBHZLJFFCK-CQSZACIVSA-N 313.357 1.340 0 40 DDAB C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccco1 8134376 RRQHUJZYEFGNPL-JTQLQIEISA-N 313.313 1.160 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)c(OC)c1 8217478 VMIOTLNXHSQAFY-NSHDSACASA-N 306.362 1.581 0 40 DDAB C[C@H](O)[C@@H]1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2 70018773 OHJXNYCJHFCMLT-JSGCOSHPSA-N 320.389 1.267 0 40 DDAB COC(=O)[C@H](C)OC(=O)CSc1ncnc2sccc12 8340611 HUJBSOSXIDMFIV-ZETCQYMHSA-N 312.372 1.888 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)C3CCC(C(N)=O)CC3)C2)c1 69453586 OIAXRUOSXHCXQD-NRXISQOPSA-N 318.421 1.647 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cn1 71830400 YTYHJSFTOMNBSM-MSOLQXFVSA-N 324.428 1.868 0 40 DDAB COCCN(C)CCNC(=O)c1ccc(OC(C)C)c(OC)c1 69530181 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CN(C)S(=O)(=O)N1CC[C@@H](OCCCc2ccccc2)C1 75106276 XNTVSGRTZOZOHV-OAHLLOKOSA-N 312.435 1.517 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69777477 QTDFNGQYMYCYDV-BCMRRPTOSA-N 315.295 1.734 0 40 DDAB COc1ccc(CN2C(=O)CO[C@H]3CN(C4CCC4)C[C@H]32)cc1 67897212 UDLZABXOIDPRED-SJORKVTESA-N 316.401 1.659 0 40 DDAB biogenic,in-vitro O=C([C@H]1COCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31125401 DPFWVKYEWJRDCC-IUODEOHRSA-N 316.357 1.949 0 40 DDAB CC(C)Oc1ccc(S(=O)(=O)N(C)CC2(CO)CC2)cc1 188971356 ADMBVYFXGUKOCR-UHFFFAOYSA-N 313.419 1.867 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncnc3)n2)C1 72354396 UIQNJLIGUWMMPJ-NSHDSACASA-N 319.390 1.073 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 79410022 FYUYXUBOOHXUHZ-ZDUSSCGKSA-N 313.442 1.733 0 40 DDAB C[S@](=O)c1nncn1Cc1ccc(Br)s1 78995710 XJJOJLGHSVIJJG-OAHLLOKOSA-N 306.210 1.888 0 40 DDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCC3)nc12 72347026 JTFUTEMQJOKWAR-UHFFFAOYSA-N 313.361 1.093 0 40 DDAB CC1(C)Oc2cc(NC(=O)CCCC(=O)O)ccc2NC1=O 46088402 JLMJFEFGWWEZLQ-UHFFFAOYSA-N 306.318 1.990 0 40 DDAB CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CCN(C)C1=O 83232462 ASFVKPZTWNPEBF-LLVKDONJSA-N 322.434 1.394 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)n1 46087466 SWPUDMODKKJVHG-OLZOCXBDSA-N 319.361 1.751 0 40 DDAB CN(C(=O)c1nn(C)c2c1CS(=O)(=O)CC2)c1ccccc1 41070551 HDMNHJPHWJQRSN-UHFFFAOYSA-N 319.386 1.168 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cnn(C)c1-n1cccc1 85432492 HRIKXLQVTCNEAJ-CYBMUJFWSA-N 318.377 1.528 0 40 DDAB COC[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1Cl 195530850 KFYKXQNQQKATGL-WDEREUQCSA-N 300.786 1.606 0 40 DDAB O=C(NCCOC1CCCCCC1)NCc1nnc2n1CCC2 96411407 NWUFFSVGEVPFPL-UHFFFAOYSA-N 321.425 1.763 0 40 DDAB CCc1cc(C(=O)Nc2cnccc2N2CCOCC2)n[nH]1 97102532 YHMCZYAGLBRHFL-UHFFFAOYSA-N 301.350 1.456 0 40 DDAB COC[C@H]1COCCC12CCN(C(=O)c1ccn(C)n1)CC2 96206286 JXGBAWDBOWFHNU-ZDUSSCGKSA-N 307.394 1.325 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 96043174 UWPAHGLIZQFTTB-BBWFWOEESA-N 318.417 1.429 0 40 DDAB c1cnc(OCc2nnc3n2CCN(Cc2ccco2)C3)nc1 96259047 HOEGJKNLOIMLLX-UHFFFAOYSA-N 312.333 1.256 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1Cl 96420328 XZEZGAVXDFMGNK-ZWNOBZJWSA-N 310.781 1.946 0 40 DDAB COC[C@H]1CN(C(=O)COC2CCCC2)Cc2cncn2C1 96209362 GVLDRZICWLHCGU-ZDUSSCGKSA-N 307.394 1.447 0 40 DDAB Cn1cc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)cn1 96058633 OWOBNUCCUSWBHI-CQSZACIVSA-N 313.405 1.315 0 40 DDAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1cccc(N)c1 96518636 QTKRVOALNIXAOK-NSHDSACASA-N 320.208 1.997 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)C2CCOCC2)C3)n1 97953344 KOYPIDMMCRPJHT-CZUORRHYSA-N 321.377 1.064 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)no1 96040600 GCIRGGMFBODOFN-IMJJTQAJSA-N 319.405 1.698 0 40 DDAB CCc1ccc(C(=O)OC2CCN(CC(=O)N(C)C)CC2)o1 96410821 QCZKKLJSJHSBBF-UHFFFAOYSA-N 308.378 1.551 0 40 DDAB CNC(=O)NC[C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1 96224964 DHGQGIPIERVMLI-ZDUSSCGKSA-N 319.409 1.171 0 40 DDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccccc2)[C@H]1S(C)(=O)=O 242463971 DQVZOIUVYODZLZ-SCRDCRAPSA-N 313.444 1.506 0 40 DDAB COC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 242677027 SVOMTJUNEIJFKV-WZRBSPASSA-N 317.407 1.255 0 40 DDAB COCCN1C[C@H](COC)C2(CCN(C(=O)C3CCC3)CC2)C1 247886068 RQGHCMWOMACINH-MRXNPFEDSA-N 324.465 1.620 0 40 DDAB CC(=O)N1CCC[C@H](c2cncc(-c3cnc(N)s3)n2)C1 257324795 WQFYBTCMHCLUOM-JTQLQIEISA-N 303.391 1.908 0 40 DDAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1 257300350 RTYOEVCLDZIVJH-UIBIWLFHSA-N 305.466 1.946 0 40 DDAB C[C@@]12C[C@H](CN)N(C(=O)CCn3ccnc3)[C@@H]1CCCC[C@H]2O 257300724 RVLOGFSLHBIHBM-KCYZZUKISA-N 320.437 1.143 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)n1 257308543 TXDOWOWVXDKZNZ-CQSZACIVSA-N 315.421 1.801 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(Cc3ncccc3F)CCO2)n1 257289909 QASSHGJUNNTPKD-ZDUSSCGKSA-N 304.325 1.598 0 40 DDAB Cc1ccsc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O 17114439 JCFSHLTVALDXKL-UHFFFAOYSA-N 307.375 1.956 0 40 DDAB C[C@@H](c1ccco1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 69067839 NLACFKVJXQWMGH-LBPRGKRZSA-N 324.402 1.999 0 40 DDAB NCc1ccc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)c(F)c1 1553504212 ILOWRTXAPMXUAO-CQSZACIVSA-N 306.385 1.307 0 40 DDAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCO2)[C@H]1CCCO1 48170870 MOXXABMUJPWOGM-DGCLKSJQSA-N 306.362 1.825 0 40 DDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(OC)c1 48991483 WYCUJMBUXJSQRB-UHFFFAOYSA-N 311.319 1.006 0 40 DDAB Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)c(C)n1C(C)C 51567873 SCORNYFLUCCIQB-CYBMUJFWSA-N 320.389 1.938 0 40 DDAB C[C@@H](Cn1cccn1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75118035 GKEGUUXKSNCHOY-QMMMGPOBSA-N 314.267 1.865 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc3C2)CCO1 75582750 RXAYHEWUOWXJJQ-CABCVRRESA-N 318.373 1.127 0 40 DDAB CCn1c(C)cc(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)c1C 76045203 UOTXIUWCLFHXDX-CQSZACIVSA-N 317.393 1.765 0 40 DDAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](O)C2)c(O)c1 79106098 GXWBVMCUMCYAEM-LLVKDONJSA-N 322.361 1.946 0 40 DDAB CCOC(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 79105414 WYSVQRRGTDZPOE-UHFFFAOYSA-N 313.360 1.516 0 40 DDAB CCC[C@H]1OC[C@H]2O[C@@H](Nc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O1 5486473 UZXLTPMMECHNLB-ZTYXSZCMSA-N 309.362 1.087 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccccc1F 5874861 USYIZHUYAHXDIN-UHFFFAOYSA-N 320.320 1.734 0 40 DDAB Cn1/c(=N\C(=O)C2=COCCO2)sc2cc(F)cc(F)c21 11726433 RZNRSEPEWBBZGN-DTQAZKPQSA-N 312.297 1.834 0 40 DDAB Cc1cccc(NC(=O)CSc2nc3[nH][nH]cc-3c(=O)n2)c1 13116789 BGKAMXISXARWKZ-UHFFFAOYSA-N 315.358 1.637 0 40 DDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NC(C)(C)C 13582765 RFPDCPWEAPNFLE-UHFFFAOYSA-N 314.407 1.619 0 40 DDAB O=C1CN(C(=O)CSC2=NCCCN2)c2ccccc2N1 16524927 KZNLSBDJIPLAND-UHFFFAOYSA-N 304.375 1.054 0 40 DDAB O=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCCC1 16848135 OJGFLDAHHXDNJX-UHFFFAOYSA-N 301.321 1.667 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)O[C@H](C)C1 17325264 RYLZZWGZQRVUNP-TXEJJXNPSA-N 311.403 1.648 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19499993 DHQOOIQSMFARQC-FYXCSKNLSA-N 300.358 1.988 0 40 DDAB Cc1cccn2cc(C(=O)N3CCC[C@]3(C)C(=O)N(C)C)nc12 19746500 ONBBWZBPZPZJQE-QGZVFWFLSA-N 314.389 1.726 0 40 DDAB Cc1cccn2c(O)c(C(=O)NCc3ccncc3)c(=O)nc12 164572241 CUFFTAISGWTLNU-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 1563057 XTBSKDXUPYJHPU-JWAFFJSPSA-N 302.330 1.239 0 40 DDAB CSc1ncccc1C(=O)N1CCCN([C@H]2CCOC2)CC1 1848830905 WWRUXOVGKDHDIF-ZDUSSCGKSA-N 321.446 1.740 0 40 DDAB O=C1NCCC[C@H]1N1CCC(Oc2ncc(Cl)cn2)CC1 1888834142 UDODMHVKNQYZJC-GFCCVEGCSA-N 310.785 1.252 0 40 DDAB CC(C)c1nc2ccccc2n1C1CN(C(=O)c2cn(C)nn2)C1 1888882237 CDTJUFVBMOQRAE-UHFFFAOYSA-N 324.388 1.985 0 40 DDAB O=C([C@H]1CN(c2nnc(C3CC3)s2)CCO1)N1CCCC1 1889101358 BFSQBZZKTLKJFQ-LLVKDONJSA-N 308.407 1.243 0 40 DDAB COCCN1CCC2(C1)CN(C(=O)/C=C/c1cccs1)C2 1565551585 PJCOLWJXWDGFCB-SNAWJCMRSA-N 306.431 1.942 0 40 DDAB COc1ccccc1OCC(=O)N1CC(OC[C@H]2CCOC2)C1 1565522702 OLOPFVPVTUWMHV-ZDUSSCGKSA-N 321.373 1.338 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)C3(F)CCC3)CC2)C1 1565552617 PQCZAYFFNAUKHY-UHFFFAOYSA-N 318.414 1.199 0 40 DDAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cnccn1 44226082 RPMMLZOGIPZTFC-GXSJLCMTSA-N 320.374 1.213 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)CSC2=O)C1 575611504 ZAPDUOLAIVDLCV-SNVBAGLBSA-N 320.370 1.360 0 40 DDAB O=C(c1ccc(F)c(F)c1)N1CCN(c2cnsn2)CC1 585148804 JGYZHXZABYXMBA-UHFFFAOYSA-N 310.329 1.779 0 40 DDAB O=C(c1cnc(O)[nH]1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 585401785 PXHXXNFZWYLERM-QWRGUYRKSA-N 314.345 1.725 0 40 DDAB C[C@](O)(CNC(=O)C(=O)NCc1cccs1)c1cccs1 75155922 JGDRGPNSNBSLPB-AWEZNQCLSA-N 324.427 1.450 0 40 DDAB Cc1noc(C)c1CCC(=O)NCC(C)(C)N1CCOCC1 40460886 MOEVZWNWYXDQEA-UHFFFAOYSA-N 309.410 1.451 0 40 DDAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCS(=O)(=O)C1 40466517 JDLAEBUOEFHYTH-SNVBAGLBSA-N 323.399 1.578 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2ccnc2)nc1 40554842 DJFKFKXAJCWYNR-ZDUSSCGKSA-N 315.377 1.158 0 40 DDAB O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ncccn2)CC1 51319543 JJWJRQSYTNJJGG-UHFFFAOYSA-N 312.377 1.041 0 40 DDAB Cc1ccn(CCNc2c(NCc3ccco3)c(=O)c2=O)n1 101698554 XKBBVUFQHOVLGM-UHFFFAOYSA-N 300.318 1.105 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102232874 QKFVFXPSQXCSJY-MFDQJXRNSA-N 308.359 1.532 0 40 DDAB CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H](C)C(C)C 102380032 UNNISLAWQFXQRB-YOPIWALVSA-N 318.417 1.687 0 40 DDAB O=C(Cn1cccn1)Nc1ccc(N2CCCS2(=O)=O)cc1 21603247 ICCUFWAUFRRJJI-UHFFFAOYSA-N 320.374 1.062 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 22309609 ZDJHWBPZRPVRFH-IHRRRGAJSA-N 306.406 1.809 0 40 DDAB CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O 22606592 OPQPDRMKXGZWQO-UHFFFAOYSA-N 324.446 1.359 0 40 DDAB CCCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CC 22832664 RTHWGRVQRBNVEB-CQSZACIVSA-N 310.419 1.289 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CCNC1 104363197 BAJFKHQNKQIZOY-LLVKDONJSA-N 302.827 1.926 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3600540 CAICSGBHHNEBJO-OAHLLOKOSA-N 323.780 1.633 0 40 DDAB O=C(c1ccno1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 107199406 KYDBRHKQCJZROU-KGLIPLIRSA-N 305.378 1.390 0 40 DDAB CC(=O)N1CCC(NC(=O)Nc2nnc(C3CC3)s2)CC1 43360031 ZIVWIZHECPUSTN-UHFFFAOYSA-N 309.395 1.548 0 40 DDAB C[C@@H](O)CNC(=O)c1ccccc1I 35108427 AYCBYRQLGRMOLD-SSDOTTSWSA-N 305.115 1.402 0 40 DDAB Cc1ccc(C)n1-c1c(C(=O)NC[C@H](C)N(C)C)cnn1C 56969292 PJSJLEUKSNVYRG-ZDUSSCGKSA-N 303.410 1.508 0 40 DDAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 26467538 KJRLUTRCJCKMQJ-NSHDSACASA-N 323.824 1.542 0 40 DDAB COc1cc(NC(=O)NCC(OC)OC)cc(OC)c1OC 9874005 TXPJLVDOSXDVGJ-UHFFFAOYSA-N 314.338 1.453 0 40 DDAB C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)n1cccn1 44669431 ONNWVNNKKUFFPG-QWHCGFSZSA-N 301.346 1.743 0 40 DDAB COC(=O)N(C)CC(=O)NC[C@@H](Nc1ccccc1)C(C)C 58174653 AVRQGFNXFABLPL-CQSZACIVSA-N 307.394 1.938 0 40 DDAB COC[C@@H](C)NC(=O)COc1ccc(C(=O)OC)cc1Cl 48264661 SNSPNWAQDIGWSF-SECBINFHSA-N 315.753 1.657 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C(=O)N2CCCC2)c1C 58299456 YRBRNICZGVSMFV-LLVKDONJSA-N 321.377 1.159 0 40 DDAB C1=C/C(=C2/CSC(NCc3ccc4c(c3)OCO4)=NN2)N=C1 84459190 GCMFURVZGGVRMB-VAWYXSNFSA-N 314.370 1.965 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC[C@@H]2c2cccs2)n1 97495040 HGFADAQKUPVWQU-SNVBAGLBSA-N 304.423 1.918 0 40 DDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(Cl)cc1 3325709 GIKLGDWRWLNLNX-UHFFFAOYSA-N 306.705 1.769 0 40 DDAB O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1C(=O)O 95399989 NAAMMCVMDYTXQH-NEPJUHHUSA-N 306.318 1.897 0 40 DDAB O=C(CCC(=O)N1CCOCC1)Oc1cccc2[nH]ncc12 48326354 OWFYVBCPIWTAAC-UHFFFAOYSA-N 303.318 1.107 0 40 DDAB Cc1csc(N2CCCN(c3ncnc4[nH]ncc34)CC2)n1 48325415 CNDNKYMFUOJCOK-UHFFFAOYSA-N 315.406 1.835 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCCc1nnc2ccccn12 48343908 QNJPIPYGOIICKN-CYBMUJFWSA-N 317.393 1.340 0 40 DDAB C[C@@H]1Sc2ccc(C(=O)N[C@H](C)C(=O)N(C)C)cc2NC1=O 45856345 GURYSDRSKDQETQ-BDAKNGLRSA-N 321.402 1.326 0 40 DDAB O=C(CN1CCO[C@@H](c2ccccc2)C1)NCc1ccco1 29532485 JWBDOZCKKFIZAR-MRXNPFEDSA-N 300.358 1.969 0 40 DDAB CC(=O)OC1[C@H]2C(=O)[C@@H]3[C@H]4C=C[C@H]5C4C4[C@H]3[C@H]2[C@H]2[C@H]4[C@H]5C(=O)[C@@H]12 104289695 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NC(=O)c1c(NC(=O)COC(=O)C2CC2)sc2c1CCCC2 6058018 AMXKNQMNCUOMNQ-UHFFFAOYSA-N 322.386 1.618 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2cccnc2-n2cccn2)nc1 25011992 BPQSEYJINBLXDC-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CCN(CC)[C@H](CNC(=O)C1(C(=O)NC)CC1)c1ccco1 65591198 FPXNEDBZNLHNAQ-GFCCVEGCSA-N 307.394 1.305 0 40 DDAB Cc1cccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)n1 96412702 DPIVZSPAGOESNI-AWEZNQCLSA-N 303.406 1.621 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7001385 ZCRUPIPPBSQXNS-OAHLLOKOSA-N 303.406 1.103 0 40 DDAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 409367419 XTZRQDGIJVIHLE-ZDUSSCGKSA-N 312.435 1.753 0 40 DDAB NS(=O)(=O)c1ccc(CNc2cnc3ccccc3n2)cc1 68124827 WKMAMYSFCKQKHG-UHFFFAOYSA-N 314.370 1.889 0 40 DDAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 71830766 IEHYCYJZGQZPHY-MGPQQGTHSA-N 318.421 1.258 0 40 DDAB Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)oc2c1C(=O)CCC2 95425493 PXBWRJVHUTXOSN-SNVBAGLBSA-N 321.329 1.423 0 40 DDAB COC(=O)CCNC(=O)c1cn(C)nc1-c1ccccc1OC 71920798 YBNUAZRXPFWLTH-UHFFFAOYSA-N 317.345 1.389 0 40 DDAB CCn1nc(C)c(CNCC2CCN(C[C@H](C)O)CC2)c1C 69347488 MEZINHKJASRFGQ-ZDUSSCGKSA-N 308.470 1.702 0 40 DDAB Cn1cnnc1C1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 69349469 HOYUABSKOPNFIU-UHFFFAOYSA-N 316.409 1.856 0 40 DDAB Cc1cnc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cn1 69382641 ILJIHGQEEFQWOG-INIZCTEOSA-N 301.394 1.499 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1noc2c1CCCC2 69436078 DDUUELISCJPVBQ-ZDUSSCGKSA-N 311.341 1.610 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H]2Cn2nc(C)nc2C)on1 69491920 XFEZBOAPDJXMNL-ZDUSSCGKSA-N 318.381 1.294 0 40 DDAB Cn1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)c2ccccc21 8402392 XXVAEEFSBWCLJU-LBPRGKRZSA-N 316.357 1.630 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)c1sccc1Br 95438503 MJJUFWZDIKUGPO-JTQLQIEISA-N 306.181 1.392 0 40 DDAB O=S1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 69569094 UXXVEUGETSTEGY-UHFFFAOYSA-N 313.386 1.360 0 40 DDAB C[C@H](c1ccc(F)cc1F)N1CCN([C@H]2CCOC2=O)CC1 69509691 RQWUFQAXHQIVGT-ABAIWWIYSA-N 310.344 1.959 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 69778537 UCLLCCFVUHIRFQ-AWEZNQCLSA-N 324.388 1.800 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)cn1 69844275 PPESSOGROUVBGD-CZUORRHYSA-N 313.357 1.924 0 40 DDAB CCOc1ccc(CC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 69979029 NKBZEKIBTNAMPT-CQSZACIVSA-N 306.406 1.153 0 40 DDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2cc(C)on2)C1 84117060 JQYXFTGVLYGSBJ-CQSZACIVSA-N 319.365 1.297 0 40 DDAB Cc1nc(CN2CCN(c3cncc(OC(C)C)n3)CC2)n[nH]1 97096988 DIXUDMIKQZIAIG-UHFFFAOYSA-N 317.397 1.013 0 40 DDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)no1 72299125 HBFZSMINSCTGID-NSHDSACASA-N 316.365 1.465 0 40 DDAB CC(C)OCC[C@@H]1CCCCN1C(=O)CN1CSCC1=O 72275570 SVTMIBPDSVRZJD-ZDUSSCGKSA-N 314.451 1.716 0 40 DDAB COc1ccc(CN(C)C(=O)N[C@H](C)Cn2cncn2)cc1C 72270915 OXSYBAQLNMUGLG-CYBMUJFWSA-N 317.393 1.825 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@H](O)c1ccccc1F 97159865 NZPVVZBTZKGETP-INIZCTEOSA-N 307.369 1.455 0 40 DDAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc[nH]1 97108764 GBIXPUQSMQMYCF-MRXNPFEDSA-N 313.401 1.901 0 40 DDAB O=C(O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 98211118 SEGWDKUGXPSWJM-NSHDSACASA-N 300.362 1.909 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(Cl)cc1Cl 88375776 UYGMDPVHFMDXGQ-NSHDSACASA-N 318.156 1.848 0 40 DDAB COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2c(C)noc2C)C1 95954922 DRYIDVJYLYJBMD-FZMZJTMJSA-N 309.410 1.655 0 40 DDAB C[C@@H](O)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95990188 IGOZVJMXCVWRBW-MWLCHTKSSA-N 302.296 1.781 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)c1nnc(-c2ccncc2)o1 95997761 WJXDUFPSGBMGIL-LBPRGKRZSA-N 315.377 1.736 0 40 DDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc2ccccc2n1 95976437 SPVTVOSPOQWPMW-HNNXBMFYSA-N 324.340 1.472 0 40 DDAB Cn1c(NC(=O)CN2CCC(N)CC2)nc2cc(F)ccc21 95971691 WNHYBISPZASOPR-UHFFFAOYSA-N 305.357 1.074 0 40 DDAB C[C@@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@@H](C(N)=O)O1 89496855 FTNPCLWBABQULH-SKDRFNHKSA-N 307.375 1.478 0 40 DDAB O=C1[C@@H](n2cnc3sccc3c2=O)CCN1CC(F)(F)F 89885385 ACGYYWHOOQFGKH-QMMMGPOBSA-N 317.292 1.794 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@H]1CO)c1noc(-c2ccccc2)n1 89913714 ONFKUNXCWKNBNR-YPMHNXCESA-N 316.361 1.964 0 40 DDAB C[C@H](NC(=O)NCc1ccoc1)c1ccc(S(N)(=O)=O)cc1 89904870 GNJCKLFKJJJMDL-JTQLQIEISA-N 323.374 1.487 0 40 DDAB Nc1nc(CN2CCC[C@H]2Cn2cncn2)nc2ccccc12 75605865 BLXFJUKZMNMLNT-LBPRGKRZSA-N 309.377 1.468 0 40 DDAB CCOCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 76023255 IZFKFRRBSJUSOP-VXGBXAGGSA-N 300.399 1.833 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccncc3F)CCO2)n1 76046206 WQQVDGRGFSNNHE-GFCCVEGCSA-N 319.340 1.505 0 40 DDAB NC(=O)CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 72383061 HNILPPTYTZXFSC-LBPRGKRZSA-N 312.377 1.280 0 40 DDAB CN(C)CCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 30753700 OTNXEJZVQSXEJO-UHFFFAOYSA-N 319.814 1.003 0 40 DDAB C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)CCn1cnccc1=O 556991905 AFIDCVPNTOBMMC-HWPZZCPQSA-N 317.320 1.411 0 40 DDAB Cn1c(=O)[nH]cc(C(=O)Nc2ccc(Br)cc2)c1=O 70634676 IRONXXRWWWPSBQ-UHFFFAOYSA-N 324.134 1.088 0 40 DDAB Cc1ccccc1Cn1nnc2cc3c(cc2c1=O)OCCO3 32647347 DMMZQSGAAIIVTN-UHFFFAOYSA-N 309.325 1.919 0 40 DDAB O=C1O[C@@H](C(=O)NC[C@H]2Cc3ccccc3O2)Cc2ccccc21 32006859 CDWYAVUUJOYRSO-RHSMWYFYSA-N 323.348 1.888 0 40 DDAB Cc1ccccc1/C=C1/SC(=S)N([C@H](CO)C(=O)O)C1=O 35648340 HPJIJIKPALKGFO-VUUNSECVSA-N 323.395 1.642 0 40 DDAB COCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 72242203 OFKIUJJSDYUSKX-HIFRSBDPSA-N 308.353 1.498 0 40 DDAB CC1(C)COCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 78088738 NTTJIDXLTIVSQT-MRXNPFEDSA-N 318.417 1.525 0 40 DDAB Cn1nccc1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 78602994 URBYNBLERBCFQQ-GFCCVEGCSA-N 324.450 1.374 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)C(C)(C)C 75157800 ALXSEVHVZXTIKD-ZDUSSCGKSA-N 319.398 1.910 0 40 DDAB Cn1cc(CNC(=O)c2nnc3ccc(Cl)cc3n2)cn1 46088529 UUZRTBWFDMSALV-UHFFFAOYSA-N 302.725 1.342 0 40 DDAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 223254274 IRIOAENNHLUQDV-LSDHHAIUSA-N 315.446 1.944 0 40 DDAB CCN1CCN(C(=O)c2cc(OC)nn2-c2ccccc2)CC1 227162397 XLZCSZDZJMCFDD-UHFFFAOYSA-N 314.389 1.659 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[C@@]2(CCOC2)C1 195537987 UTJYPAGSMHALPI-SOLBZPMBSA-N 324.465 1.810 0 40 DDAB CO[C@H](C)CS(=O)(=O)NC[C@@H]1CCN(C)c2ccccc21 195127379 HEWPFLNMVCZKTF-OLZOCXBDSA-N 312.435 1.564 0 40 DDAB CS(=O)(=O)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96046968 ZCNTWSCKSSRKQK-OAHLLOKOSA-N 309.435 1.329 0 40 DDAB Cn1cc(N2CC[C@H]3CN(CC4CCOCC4)C[C@@H]3C2=O)cn1 96249149 GVVYVPGOLVZFNX-HOCLYGCPSA-N 318.421 1.131 0 40 DDAB C[C@@H](NC(=O)CN(C)S(=O)(=O)CC1CCCCC1)C1CC1 96429037 SUHXSRBJSVQXHW-GFCCVEGCSA-N 316.467 1.743 0 40 DDAB CN(CCOc1cccc(F)c1)c1nnc(Cl)cc1C(N)=O 96446509 PPJWOPMRFTXELT-UHFFFAOYSA-N 324.743 1.883 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccnc1)C2 96061784 SCIPMHSBTLEJOA-UHFFFAOYSA-N 313.405 1.774 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414061 SJQWPRFDIUFEPM-LLVKDONJSA-N 318.270 1.648 0 40 DDAB O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc[nH]n1 96455955 KMTZGMDATALXGC-OAHLLOKOSA-N 312.373 1.373 0 40 DDAB COCCC1(C(=O)N2CCN(C3CCOCC3)CC2)CCCC1 96472738 ONXMYTJVPICLTN-UHFFFAOYSA-N 324.465 1.907 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CC[C@H]1CCCO1 249269145 ZXFBOJQCSICIKO-QLFBSQMISA-N 318.483 1.595 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1 345071868 HACHZDSFCAFBOP-CYBMUJFWSA-N 312.435 1.824 0 40 DDAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC(n2ccnn2)C1 244969159 HBNUCPVQEMJFIJ-UHFFFAOYSA-N 308.345 1.220 0 40 DDAB Cc1cc(NC2CC3(CCN(C(=O)c4cnco4)C3)C2)ncn1 257298001 RJRQPDSFNAATRV-UHFFFAOYSA-N 313.361 1.880 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1ccnc(NC)c1 257317071 VIFUMAFPNITDMC-ZDUSSCGKSA-N 312.439 1.847 0 40 DDAB Cc1c(CCC(=O)N2CCC[C@H](c3cnccn3)C2)cnn1C 257255901 KJJBIUVYQNEWFD-HNNXBMFYSA-N 313.405 1.857 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(Cc3ccccn3)CCN2C)c1 257301837 SADXEMBOGSVBIF-GOSISDBHSA-N 324.428 1.930 0 40 DDAB Cc1cnn(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3)c1 257307654 SZRUHTHNQKJBLM-MPTYRVRUSA-N 302.422 1.713 0 40 DDAB C[C@@]12C[C@H](CN)N(C(=O)c3cccnc3)[C@@H]1CCCC[C@H]2O 257253558 JZJQIKIEVPKJCM-KCYZZUKISA-N 303.406 1.565 0 40 DDAB O=C(N1C[C@H](O)[C@]2(CCCO2)C1)C1(c2ccccc2F)CC1 257305356 SPPPUZSEKZLKPG-YOEHRIQHSA-N 305.349 1.610 0 40 DDAB CC(=O)N1CCN(CCCc2ccccc2)C[C@@H]1C(=O)N(C)C 257337308 YSGNNZVMSJQXAO-QGZVFWFLSA-N 317.433 1.240 0 40 DDAB c1cnc(N2CC[C@H](c3ccnc(Nc4cncnc4)n3)C2)cn1 257211906 CAZXUCFQQPQPJA-LBPRGKRZSA-N 320.360 1.794 0 40 DDAB COc1cccc(CNC(=O)C[C@@]2(CO)CCCN2C(C)=O)c1 585281443 XMHHWLFKSAEKMO-QGZVFWFLSA-N 320.389 1.075 0 40 DDAB O=C([C@@H]1CCOC1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099069 HVEMLPSJWKEJIE-UKRRQHHQSA-N 305.378 1.057 0 40 DDAB O=C(c1cc[nH]n1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585275068 VLVPAIZDDRYLJV-GJZGRUSLSA-N 303.337 1.757 0 40 DDAB O[C@]1(COc2ccc(F)cc2)COCCN(Cc2cc[nH]n2)C1 585269233 MESWIMHDVXCSHW-INIZCTEOSA-N 321.352 1.191 0 40 DDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)c3ccccc3)C[C@H]12 585108940 GRYIKOLQASBDPT-UONOGXRCSA-N 313.357 1.182 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21)N1CCCC1 585109051 QGQRTTAFIHKTOD-MGPQQGTHSA-N 324.396 1.365 0 40 DDAB Cc1cccc(O[C@@H]2CCC[C@H](N3CCN(C)CC3)[C@H]2O)c1 585290092 ZXFNINLRVFLBQA-RCCFBDPRSA-N 304.434 1.903 0 40 DDAB Cc1ccc(OC[C@@]2(O)CCN(CC(=O)N3CCCC3)C2)cc1 585269515 XWKQZLWBQMVCOG-GOSISDBHSA-N 318.417 1.433 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H](O)c1cccc(Cl)c1 65390729 APQAQQMJJOYJRY-AWEZNQCLSA-N 322.796 1.959 0 40 DDAB O=c1onc(-c2cnccn2)n1Cc1nc2ccccc2s1 69527872 HOCLAKPKNWFTJT-UHFFFAOYSA-N 311.326 1.951 0 40 DDAB CCNC(=O)NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1 69592571 FRCTYPWGQGNHHJ-HNNXBMFYSA-N 324.469 1.420 0 40 DDAB CCN1C[C@@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CC1=O 71865223 MXOQQKVJARBCKH-UONOGXRCSA-N 304.394 1.133 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](n2cncn2)C1 75583630 BQDZDRNTIKUUFG-CYBMUJFWSA-N 302.382 1.035 0 40 DDAB COCCc1nsc(N2CCN(c3ccccn3)CC2)n1 301503594 BVORBRSFWCEXOW-UHFFFAOYSA-N 305.407 1.449 0 40 DDAB Cc1sc(C(=O)N(CC(C)C)C2CC2)cc1S(N)(=O)=O 95397290 SZDVKYKSCQAWHU-UHFFFAOYSA-N 316.448 1.965 0 40 DDAB COCCN(Cc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 96496440 ODDYBBAFZBKIJY-ZDUSSCGKSA-N 318.826 1.371 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O 5953890 GOIMAHQLJQELDG-SNVBAGLBSA-N 302.371 1.506 0 40 DDAB COCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 12221023 GVXSKSOVMRYMOG-CYBMUJFWSA-N 318.421 1.853 0 40 DDAB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@@H](c2cccs2)N1 12346845 AZDMKHCWULQJEM-CYBMUJFWSA-N 315.354 1.992 0 40 DDAB COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cn1 15658720 DHOLGTHDPZEEEL-UHFFFAOYSA-N 304.331 1.005 0 40 DDAB Cc1c(CN2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cnn1C 19747006 HGBBTAFSAIBYCD-QGZVFWFLSA-N 320.437 1.378 0 40 DDAB COCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373179 FXDCUDVAEJUPCA-CYBMUJFWSA-N 305.378 1.354 0 40 DDAB O=C(NC[C@@H]1CCCO1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373787 WLUMZGDYYJHYKV-JSGCOSHPSA-N 321.352 1.409 0 40 DDAB CN1CCN(C(=O)N2CCC(Oc3ccncc3)CC2)CC1 240067973 SFYSKLAIUPYBES-UHFFFAOYSA-N 304.394 1.292 0 40 DDAB NC(=O)c1cccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c1 13466682 XHBJEEXHXRTIKP-CQSZACIVSA-N 312.325 1.983 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1F 14159938 GJGWMCDYNPWCPL-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COCc1ccccc1 24094648 UARQZDGMVQBBPH-AWEZNQCLSA-N 318.373 1.429 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)c3ccncc3OC)CC[C@H]2C1 1565551477 RADKNYVEKPXOQR-BBRMVZONSA-N 319.405 1.273 0 40 DDAB CC(C)C(=O)N1CCC2(CN(C(=O)CCc3ccc[nH]3)C2)C1 1565552248 XKJWWYVXLVODSU-UHFFFAOYSA-N 303.406 1.664 0 40 DDAB O=C([C@@H]1CN(C(=O)C2(F)CCC2)[C@H]2CCO[C@H]21)N1CCCC1 1565555798 PPDNYXRGPGWOKB-AGIUHOORSA-N 310.369 1.117 0 40 DDAB Cc1nnc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)s1 14031312 KBMXRSUWAMDOKO-SSDOTTSWSA-N 309.376 1.079 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)C2CCCCC2)C1 2055772649 JJSQTJCAFVDRMM-QGZVFWFLSA-N 318.421 1.527 0 40 DDAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccccn2)CC1 2055713279 SJYGAHHTNHNIKA-UHFFFAOYSA-N 313.405 1.358 0 40 DDAB COc1cccc(S(=O)(=O)NC[C@H](CCSC)OC)c1 1775967629 YQKPXVLJPMPITM-LBPRGKRZSA-N 319.448 1.742 0 40 DDAB Cc1nsc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2086887001 OLOQBPYVYNTXFP-UHFFFAOYSA-N 316.452 1.239 0 40 DDAB COC(=O)c1ccc(CSc2ncnc3c2nnn3C)o1 13531979 HNXIMZNUNDIGIV-UHFFFAOYSA-N 305.319 1.430 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 100314633 MWORSPXVTCBYLG-ZAZJYDDPSA-N 305.717 1.711 0 40 DDAB COc1cccc(N2C[C@H](C(=O)NCC3CCC3)CC2=O)c1 31438407 AQSCCLMMZGEBEN-CYBMUJFWSA-N 302.374 1.964 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O 40479788 FCCYPPGDENYHGI-UHFFFAOYSA-N 316.313 1.003 0 40 DDAB O=C(CN1CCCCCC1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 21705556 FHRHFQZIHGNCKI-UHFFFAOYSA-N 302.334 1.197 0 40 DDAB CCOC(=O)C1=C(C)OC(=C(C(=O)OC)C(=O)OC)S1 520840 JQKCMTGBJNMRBQ-UHFFFAOYSA-N 302.304 1.102 0 40 DDAB CCN(C(=O)c1cc2ccccc2s1)[C@@H]1CC(=O)NC1=O 103279866 UMJYLTLYYSTFOK-SNVBAGLBSA-N 302.355 1.779 0 40 DDAB Cc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 22521366 STUZMDSSKNDSAV-UHFFFAOYSA-N 315.373 1.128 0 40 DDAB O=C(NCc1ccccn1)c1ccc(Cl)cc1-n1cnnn1 12324754 OSCPUCLMYCGQCD-UHFFFAOYSA-N 314.736 1.641 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1ncnc2c1cnn2C 12485426 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O=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccccc1 3240267 VKLRTAIZPGTOHA-UHFFFAOYSA-N 315.300 1.982 0 40 DDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C1 44305576 AMRVWETUAFOTLR-RYUDHWBXSA-N 319.471 1.056 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(F)cc1F 72300588 LKBLSKJKDWVTKT-YGRLFVJLSA-N 318.389 1.724 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccn2)c1 57992952 FXENVPCVVQPONP-UHFFFAOYSA-N 306.343 1.693 0 40 DDAB Cc1cnc(N2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)nc1 107785970 CPUORBDIGJBLLO-CJNGLKHVSA-N 312.377 1.425 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 48288542 GHFLVFBKJQZTPH-VIFPVBQESA-N 301.268 1.438 0 40 DDAB Cn1cc(/C=C/C(=O)Nc2cccc(N3CCOCC3)c2)cn1 58225446 JNBFVSLWWMEIAD-AATRIKPKSA-N 312.373 1.909 0 40 DDAB CC(C)N1CCC[C@H](CNC(=O)CCNc2ncccn2)C1 58293569 JCBYTSJZZIXFSJ-CQSZACIVSA-N 305.426 1.515 0 40 DDAB CCCc1noc([C@H](C)N2CCC(NC(=O)COC)CC2)n1 44949001 PZVZGYZCCVMUHU-NSHDSACASA-N 310.398 1.310 0 40 DDAB CCCN1CCC(NC(=O)c2sccc2-n2cnnn2)CC1 58367328 SSVYBPWDUMLVFN-UHFFFAOYSA-N 320.422 1.328 0 40 DDAB CC(C)c1ccc(O)c(C(=O)NCC(=O)NCC(F)(F)F)c1 58341402 PIDNYOWQKFDAAF-UHFFFAOYSA-N 318.295 1.924 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)c(OCC(F)F)c1 58343111 DEVZZLQHQDAUOK-SECBINFHSA-N 315.320 1.895 0 40 DDAB COc1c(CN[C@H](C)CN2CCCC2=O)c(C(C)C)nn1C 58413969 DWVCACOZAUEYDG-GFCCVEGCSA-N 308.426 1.653 0 40 DDAB O=C(NCc1cccnc1)c1ccc(CN2C(=O)CCC2=O)cc1 25377696 HQKKEHSRUZLSOM-UHFFFAOYSA-N 323.352 1.661 0 40 DDAB O=C(COC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12 10910961 AKUWKOTZORKUOY-JTQLQIEISA-N 321.354 1.329 0 40 DDAB CCN1CCN(Cc2ccc(CNC(=O)COC)cc2)CC1 48333518 PHZVZLOLIQXLKB-UHFFFAOYSA-N 305.422 1.087 0 40 DDAB Cn1ccs/c1=N\C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 36697006 NOWQSGGKQVBCMZ-AOGBOPSGSA-N 321.402 1.079 0 40 DDAB O=C(NC[C@@H]1CCCOC1)N1CCN(c2nccs2)CC1 57161929 BZBKRUXASYLPFQ-LBPRGKRZSA-N 310.423 1.401 0 40 DDAB CN(C)c1nc(N)nc(COc2cccc(-c3nnco3)c2)n1 29752372 QEIPFWHQPNGDBG-UHFFFAOYSA-N 313.321 1.149 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)c(C)c1 20673412 GBHFJCDIOYAGLY-SNVBAGLBSA-N 319.390 1.113 0 40 DDAB CNC(=O)NC(=O)CNc1cc2c(cc1Cl)OCCCO2 29943045 SJLOMCJGBMWIHA-UHFFFAOYSA-N 313.741 1.369 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(=O)c2ccccc2o1 46887118 CSUYHNZCIUSRPV-LBPRGKRZSA-N 316.357 1.244 0 40 DDAB CCn1c(SCC(=O)c2ccc[nH]2)nnc1N1CCOCC1 9154984 SPGNGULKGXFABL-UHFFFAOYSA-N 321.406 1.438 0 40 DDAB CCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 19691395 WCFKVKLVMBYZRM-CYBMUJFWSA-N 312.435 1.984 0 40 DDAB Cc1cccc(C)c1NC(=O)N1[C@H](C(=O)O)CS[C@@H]1C(=O)O 4106714 QAKGSPPUDHAFJM-GXSJLCMTSA-N 324.358 1.748 0 40 DDAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 9315276 MHHUJVBRZWATQE-SNVBAGLBSA-N 319.317 1.961 0 40 DDAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCCCC1 5053825 CMSOIZFYQXKTCM-UHFFFAOYSA-N 319.390 1.473 0 40 DDAB CN(C)CCCOC(=O)C[C@H]1Sc2ccccc2NC1=O 6177011 IWHPHWBUJMERTG-CYBMUJFWSA-N 308.403 1.984 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2ncnn21 9319989 VTCVDLYLWLXTOA-SECBINFHSA-N 321.724 1.462 0 40 DDAB C[C@H](NC(=O)NCCN1C[C@H](C)C[C@@H](C)C1)c1nncn1C 65390779 XMPXNURTLBIIEZ-UPJWGTAASA-N 308.430 1.153 0 40 DDAB C[C@H](OC[C@H](O)CNC(=O)Nc1cn[nH]c1)c1ccccc1 65417793 MDTUENAUIXBKKJ-SMDDNHRTSA-N 304.350 1.670 0 40 DDAB O=C(c1cn[nH]n1)N1CCN(Cc2ccc(Cl)s2)CC1 65531257 GGNZVMUIVKFGCX-UHFFFAOYSA-N 311.798 1.478 0 40 DDAB COc1ccccc1CNC(=O)NCc1c(C)cc(C)[nH]c1=O 65538620 KQNWNZAPFDHYDH-UHFFFAOYSA-N 315.373 2.000 0 40 DDAB CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 5346231 TXWDMHDKTPWDAI-LLVKDONJSA-N 310.350 1.566 0 40 DDAB CN(C(=O)COc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 14197060 HNWGOQDSTGFQMX-CQSZACIVSA-N 323.414 1.200 0 40 DDAB CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1 14515421 CKECEWYVEGPMPE-FIQHERPVSA-N 302.367 1.810 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 6879243 QQJXFNBODNOMTH-PXAZEXFGSA-N 317.389 1.758 0 40 DDAB Cc1cccc(N2CCN(c3ccn4c(=O)[nH]nc4n3)CC2)c1C 67172744 JBZNLDZHKQYPQV-UHFFFAOYSA-N 324.388 1.361 0 40 DDAB Cc1ccc(-c2noc(CN3CCCC[C@H]3C(N)=O)n2)cc1 15479508 HSIOVIFVWNOASJ-ZDUSSCGKSA-N 300.362 1.885 0 40 DDAB CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O 71884055 YEUKHXOBUREFQR-SNVBAGLBSA-N 311.288 1.306 0 40 DDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H]1Cn1cccn1 71866782 DOHWEBOQXLGBSW-MRXNPFEDSA-N 322.372 1.769 0 40 DDAB CC[C@@H](C)Nc1nnc(S[C@@H](C)C(=O)NC(=O)NC)s1 9762768 AYMRHFIKZMNZKV-RQJHMYQMSA-N 317.440 1.685 0 40 DDAB COC(=O)N1CCC[C@H](NC(=O)NCCc2ccccc2)C1 69451706 ZSNBOICEHSNIFP-AWEZNQCLSA-N 305.378 1.759 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 69434014 LTVNGXPOCXHGBZ-CQSZACIVSA-N 319.357 1.698 0 40 DDAB CCOC(=O)CN1CCO[C@H](COc2ccccc2Cl)C1 217483352 YFSZUDKSJONJPU-LBPRGKRZSA-N 313.781 1.983 0 40 DDAB CCc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1 69517896 MQFKPJVFNWBMLT-OLZOCXBDSA-N 320.393 1.637 0 40 DDAB CC(C)C(=O)N1CCN(CC[S@](=O)c2ccccc2)CC1 69585501 VTVMFTRCGOGEMW-OAQYLSRUSA-N 308.447 1.594 0 40 DDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](n2ccnc2)C1 69662546 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Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)CC(N)=O)cc12 95955490 LHNQBHQMYIBAGO-UHFFFAOYSA-N 323.356 1.286 0 40 DDAB Cc1cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)no1 95947449 ZQSLTAQEUJHXAS-UHFFFAOYSA-N 318.377 1.475 0 40 DDAB COCc1ccccc1CNC(=O)CN1CC[C@]2(CCOC2)C1 89420375 MLSCLLGJXRGSPH-SFHVURJKSA-N 318.417 1.562 0 40 DDAB COC(=O)[C@@H]1CN(Cc2nc3cc(F)ccc3o2)C[C@@H](C)O1 89496964 UAXKWTXOSZOHPO-RNCFNFMXSA-N 308.309 1.729 0 40 DDAB CC(C)n1c(CCNc2ncnc3[nH]ncc23)n[nH]c1=S 75092947 NASCIRWELFCBJD-UHFFFAOYSA-N 304.383 1.842 0 40 DDAB O=S(=O)(NCCNc1ccccn1)c1cccc2nonc12 89883912 DRYHJLUAZORMBL-UHFFFAOYSA-N 319.346 1.008 0 40 DDAB COc1ccccc1CNC(=O)CN1[C@H](C)CCC[C@@H]1CO 89927533 BAGAJUOQRPLCGR-UKRRQHHQSA-N 306.406 1.547 0 40 DDAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(CCO)CC1 75568061 MQJOXMDKJDZOCA-UHFFFAOYSA-N 315.417 1.627 0 40 DDAB O=C1CC[C@H]2CN(c3ncccc3F)CC[C@H]2N1CCCCO 72427132 XRHOWBLCENOKDK-DZGCQCFKSA-N 321.396 1.811 0 40 DDAB CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 152316823 LSNNUBSTBXZJQJ-HIFRSBDPSA-N 304.390 1.719 0 40 DDAB COc1ccc(C)c2c1N(C(=O)CN1CCCC1=O)CCC2 67843670 DHRQIFLIKXTMOQ-UHFFFAOYSA-N 302.374 1.905 0 40 DDAB CC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc(CO)o1)CCO2 306133362 MJNPVEWDZPALFJ-IRXDYDNUSA-N 322.405 1.422 0 40 DDAB Cn1c(CC(F)(F)F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 514860710 RYXMFTLMKXSSJD-ZJUUUORDSA-N 304.316 1.783 0 40 DDAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217423130 WDIHCOGALYKTQZ-UHFFFAOYSA-N 312.391 1.893 0 40 DDAB O=C(NCc1cccnc1)[C@H]1CCC(=O)N1Cc1cccs1 72239744 NQSQWVCUAKJXCF-CQSZACIVSA-N 315.398 1.951 0 40 DDAB O=S(=O)(NCCN1CCCC[C@H]1CCO)c1ccccc1 78773060 HGRHFUXRGILPSO-AWEZNQCLSA-N 312.435 1.202 0 40 DDAB C[C@H](CC1CCCC1)C(=O)NCCN1CCS(=O)(=O)CC1 72569413 LSEBFIYJJVNNFN-CYBMUJFWSA-N 316.467 1.049 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21 74936333 KSCUJKHAOGUYKH-UHFFFAOYSA-N 324.402 1.607 0 40 DDAB O=C(CN1CCOCC1)N1CCC[C@@H](Cc2ccccn2)C1 72385601 PMJSTHIRAXPDSR-HNNXBMFYSA-N 303.406 1.195 0 40 DDAB Cc1nc(C2CCN(C(=O)c3coc(C)n3)CC2)cc(=O)[nH]1 72364602 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0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257247473 IZEBLYMOBBNWCJ-HNNXBMFYSA-N 323.356 1.875 0 40 DDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnn(-c3ccccc3)n2)C1 1553714404 SHJKKXLDXPOIGU-HZPDHXFCSA-N 324.388 1.952 0 40 DDAB CN1CCN(C(=O)CCN2CCOCC2)C[C@@H]1c1ccccc1 257208719 BNJLYWUBUVUXNZ-QGZVFWFLSA-N 317.433 1.224 0 40 DDAB O=C(/C=C/c1ccco1)N[C@H]1CCN(c2nccn3cnnc23)C1 575617719 WIZPQGBNAZKUML-PCAWENJQSA-N 324.344 1.126 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1 585101330 YSSYPWOOZQBFNP-INIZCTEOSA-N 317.393 1.459 0 40 DDAB Cc1ccc(OC[C@]2(O)COCCN(Cc3cc[nH]n3)C2)cc1 585269271 NVVMSSUPUNODSJ-QGZVFWFLSA-N 317.389 1.360 0 40 DDAB O=C(c1ccccc1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 585107703 DLECJWUAXGWXME-ROUUACIJSA-N 323.396 1.807 0 40 DDAB CCOC(=O)N1CCN(Cc2c3c(nn2C)CCCC3)CC1 876526733 DDFLHOIXVKJVQT-UHFFFAOYSA-N 306.410 1.573 0 40 DDAB CCOC(=O)CCC(=O)NCC1CCN(c2ccccn2)CC1 43975460 RTQVETLMOUWBFL-UHFFFAOYSA-N 319.405 1.758 0 40 DDAB Cc1occc1CN(C)C(=O)CN(C)c1ncnc2[nH]cnc12 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C[C@H](SC(F)(F)F)C(=O)NCCNC(=O)c1ccco1 30844408 MHZOGAHMEAYHOG-ZETCQYMHSA-N 310.297 1.767 0 40 DDAB COc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCC3)cnc12 20478004 BYNCGUVXJSUSBX-UHFFFAOYSA-N 312.373 1.982 0 40 DDAB CC(C)c1cccc(OCC(=O)N[C@H]2CCCCNC2=O)c1 40522247 MUOOFEOAEIKOTG-HNNXBMFYSA-N 304.390 1.974 0 40 DDAB Cc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 32578367 HLMPOWCHXSCTSN-OAHLLOKOSA-N 302.374 1.458 0 40 DDAB C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCCC1 53025246 JGLYMHPSGPCRRB-SECBINFHSA-N 304.316 1.653 0 40 DDAB O=C(c1ccc(=O)oc1)N1CCN(c2ccc(F)cc2)CC1 522709 KOUZVWLHVCNUMI-UHFFFAOYSA-N 302.305 1.741 0 40 DDAB CC(C)NC(=O)CNC(=O)c1cccc(NC(=O)C2CC2)c1 22765065 BXGZLMXAGWTKRX-UHFFFAOYSA-N 303.362 1.290 0 40 DDAB S=C1NC(=S)NC(c2ccc(Br)cc2)N1 53435 DVTVSCYTPHXNCW-UHFFFAOYSA-N 302.222 1.800 0 40 DDAB CCCCN(CCO)C(=O)Nc1ccc(-n2cnnn2)cc1 71186380 CWWBSYFJGIAJQH-UHFFFAOYSA-N 304.354 1.289 0 40 DDAB O=C(NC1=NCCS1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 806826 MFMUKQRSDPMDDH-SECBINFHSA-N 323.805 1.912 0 40 DDAB COc1ccc(CNc2nn3c(=O)c4c(nc3[nH]2)CCC4)cc1 9088111 VLMGHFWCKGVRPD-UHFFFAOYSA-N 311.345 1.527 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)c2cccc(C(N)=O)c2)CC1 23132321 IOZSWYKPHSHZSV-UHFFFAOYSA-N 317.389 1.162 0 40 DDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H](C)n3ccnc3)CCO2)n1 78889402 BXFGTCAXIBQJLP-RYUDHWBXSA-N 318.381 1.286 0 40 DDAB C[C@H](c1ccc(N2Cc3ccccc3C2=O)cc1)[C@H](O)C(N)=O 1576441 SJPGXMIEMGQHAY-BZNIZROVSA-N 310.353 1.797 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCN(c2ccccc2)CC1 1611913 OPSWPWMKWKTLMS-UHFFFAOYSA-N 321.384 1.780 0 40 DDAB Cc1ccoc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 23481526 SOODXNFEZGDTJM-JTQLQIEISA-N 308.359 1.726 0 40 DDAB COc1ccc2oc(C(=O)OCC(=O)NC(N)=O)c(C)c2c1 4319115 DFSNYNZQYDIMAB-UHFFFAOYSA-N 306.274 1.102 0 40 DDAB CCOCCCNCC(=O)Nc1ccccc1N1CCOCC1 4896603 QTWXJHFONBBPCO-UHFFFAOYSA-N 321.421 1.478 0 40 DDAB CNC(=O)c1cnc(/C=C/c2ccc(OC)c(Cl)c2)[nH]c1=O 95401140 PMPUGXBCHBMZTL-GQCTYLIASA-N 319.748 1.962 0 40 DDAB CC(C)c1nccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 106462298 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316.405 1.826 0 40 DDAB O=C(c1cnccn1)N1CCC(O)(c2cccnc2F)CC1 72340011 JDMTVFKRLGOCKC-UHFFFAOYSA-N 302.309 1.135 0 40 DDAB C[C@H](NC(=O)c1csc(CCN)n1)c1nnc2n1CCCC2 569342107 QSLPZWOUCROGQO-VIFPVBQESA-N 320.422 1.063 0 40 DDAB C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2 184988543 DMMUUUSOFUZDTR-JTQLQIEISA-N 322.386 1.702 0 40 DDAB CC(C)Nc1cc(C[C@@H]2CCCN(S(C)(=O)=O)C2)ncn1 72364973 DXMBGDYTHKHBCE-LBPRGKRZSA-N 312.439 1.511 0 40 DDAB CCc1nc(CNc2cc([C@@H]3CCN3C(C)=O)nc(C)n2)no1 72387647 OYGNCDIAQRXYRN-LBPRGKRZSA-N 316.365 1.636 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCCCCC2=O)c1 227115577 MMCSLUJOMLRXTJ-LBPRGKRZSA-N 317.389 1.776 0 40 DDAB CO[C@H](C)CS(=O)(=O)N[C@H]1CCCC[C@@H]1n1cccn1 195327436 FDENBCUTDPSFNW-AGIUHOORSA-N 301.412 1.321 0 40 DDAB CCn1nc(-c2nn3c(-c4cnccn4)nnc3s2)cc1C 44892106 JYNIBKMQCSNGJD-UHFFFAOYSA-N 312.362 1.835 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCOCc1ccccc1 80799832 IOJWZWVPYUCDCD-UHFFFAOYSA-N 310.375 1.787 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)c2cc(F)c(F)c(F)c2)cn1 80893254 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CCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1 95698948 UJGDVPSHWFYNEV-AWEZNQCLSA-N 322.405 1.975 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3ccccn3)C2)C1 96051945 HSJPIXOFMDWNDM-RDJZCZTQSA-N 305.422 1.251 0 40 DDAB CCN1CC2(CCNCC2)COc2ccccc2S1(=O)=O 96145111 CJFZAEBJKSRAOR-UHFFFAOYSA-N 310.419 1.459 0 40 DDAB Cn1ncc(Br)c1CS(=O)(=O)N1CCCCC1 96524425 JWLHGDKAQMGEQM-UHFFFAOYSA-N 322.228 1.498 0 40 DDAB Cc1cc(-c2nn3c(-c4cnn(C)c4C)nnc3s2)no1 95478371 WUJCRPPOVSYPJL-UHFFFAOYSA-N 301.335 1.858 0 40 DDAB C[C@@H]1CN([C@@H]2CCOC2)C[C@]12CCN(c1cccnc1)C2=O 96201758 MFYIURGHUBDQGH-FRFSOERESA-N 301.390 1.545 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(C(=O)c2ccco2)CC3)cn1 96255202 YEHLZYMBGFIKAH-UHFFFAOYSA-N 323.356 1.711 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)C2 247925446 DGWTVVOFLHWLAY-CYBMUJFWSA-N 319.357 1.364 0 40 DDAB O=C(O)[C@@H](CNC(=O)[C@@H]1CCCOC1)Cc1cccc(F)c1 345917425 JOZBTTWKSAFIKM-CHWSQXEVSA-N 309.337 1.612 0 40 DDAB O=C(c1ccccc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257324487 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C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC4CC4)cc1c32 101078926 LNVHMSUFPWDOQA-VIFPVBQESA-N 313.357 1.300 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)Cc2cccnc2)C1 225808972 ZCWBAJFTUUZFEP-CYBMUJFWSA-N 314.345 1.103 0 40 DDAB COc1cccnc1N1CCC(C(=O)N2CCSCC2)CC1 2298187949 SRBMXDMWYFPXAH-UHFFFAOYSA-N 321.446 1.882 0 40 DDAB CCOC(=O)c1c[nH]c2nc(-c3ccc(Cl)cc3)nn2c1=O 100641563 BWEHFTPIZJBWLO-UHFFFAOYSA-N 318.720 1.915 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 30304847 KCOJTYUNFRHEGU-XHDPSFHLSA-N 314.341 1.935 0 40 DDAB Cc1cc(CN(C)C(=O)c2cccnc2N2CCOCC2)no1 31651762 RIPMXNOLWSEUJD-UHFFFAOYSA-N 316.361 1.487 0 40 DDAB O=c1c2ccccc2nnn1C[C@@H](O)c1cc(F)ccc1F 51265753 UMSRFVAVAPJJBV-CQSZACIVSA-N 303.268 1.803 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N[C@@H](C)Cc1cnccn1 102201367 URYXOQVZSBWAHR-WFASDCNBSA-N 324.384 1.958 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)Cc1noc2ccccc12 33211897 CQKZAERJGKOBQW-CYBMUJFWSA-N 301.346 1.497 0 40 DDAB Cc1cnc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)cn1 22970126 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300.362 1.908 0 40 DDAB CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1N 10800066 LIHDDOMTPFXTOZ-UHFFFAOYSA-N 307.375 1.544 0 40 DDAB CCc1nsc(N2CCCN([C@@H](C)C(=O)NC3CC3)CC2)n1 76184963 GDYJPRVNTOQUHF-NSHDSACASA-N 323.466 1.280 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC2=O)c1C 3350446 MYZNRBHLGFQBCB-UHFFFAOYSA-N 306.318 1.140 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COc1ncnc2ccccc12 3338008 NVMQZTWTLIAHAS-UHFFFAOYSA-N 302.334 1.633 0 40 DDAB NC(=O)c1ccc(NC(=O)CN2CC(=O)Nc3ccccc32)cc1 3351422 GRMFCTSPTFHZRT-UHFFFAOYSA-N 324.340 1.183 0 40 DDAB CON(C)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 36751067 MYRMGTJBUUAZIU-UHFFFAOYSA-N 305.359 1.958 0 40 DDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 46106568 XLAOFQSYIXYKMD-MRVPVSSYSA-N 309.309 1.755 0 40 DDAB Cc1ccc(-c2cc(C(=O)O)nn2[C@H]2CCS(=O)(=O)C2)cc1 11801577 PLNNWSWSDKVVIY-LBPRGKRZSA-N 320.370 1.916 0 40 DDAB CN(C)C(=O)Cc1ccc(NC(=O)N2CCSCC2)cc1 48435956 JMGLNIKIJBVVLU-UHFFFAOYSA-N 307.419 1.898 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)C(=O)N1CCOCC1 62885449 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Cc1cccc(NC(=O)[C@@H]2CCCN(CN3CCCC3=O)C2)n1 69350605 NUIQMVSJCYTNNP-CQSZACIVSA-N 316.405 1.620 0 40 DDAB CC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8395247 FWQHKGOFDHYOKC-ZSGNIPIJSA-N 310.350 1.008 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 69434825 FKUVUBHPIASENI-NSHDSACASA-N 310.781 1.581 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(=O)[nH]1 75118884 BQEBGHFHQBYFSH-LLVKDONJSA-N 314.341 1.946 0 40 DDAB COc1ccc(CCC(=O)NCc2nc(C)no2)cc1OC 71847375 LJCIGAJEHSCPGI-UHFFFAOYSA-N 305.334 1.644 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 69779067 NSLCFDDGANMAED-LJISPDSOSA-N 308.426 1.366 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 8705350 YXMCLOFCNZWXLH-GFCCVEGCSA-N 307.350 1.495 0 40 DDAB Nc1nccnc1C(=O)N1CCC(CN2CCCCCC2)CC1 71828431 OYMLNYYHZYLTDM-UHFFFAOYSA-N 317.437 1.787 0 40 DDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cnn(C)c1 71870472 FRWYLPAIDWZGTR-HOTGVXAUSA-N 304.438 1.828 0 40 DDAB O=C(CCNCC(F)(F)F)N1CCC[C@H](n2ccnc2)C1 71856835 JEYCYPCHWNUTSU-NSHDSACASA-N 304.316 1.589 0 40 DDAB CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8829626 MLIGNDCUSMINQT-UHFFFAOYSA-N 305.403 1.884 0 40 DDAB COC(=O)N1CCCN(C(=O)c2cc(Cl)ccc2O)CC1 83891398 QRLVJFPCURGHAX-UHFFFAOYSA-N 312.753 1.960 0 40 DDAB Cc1occc1-c1cc(NC(=O)c2ccnn2C)n(CCO)n1 84044267 XPULNHJKOQWIMY-UHFFFAOYSA-N 315.333 1.430 0 40 DDAB CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1cccs1 97032165 DJZABLFZUKPRRK-SNVBAGLBSA-N 304.437 1.597 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCN(C(C)C)C1=O 88559997 DTBSPCNHZQJMLN-OLZOCXBDSA-N 305.426 1.664 0 40 DDAB O=C(CC(C1CC1)C1CC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269426 IVSBWUKCDHAMIA-IRXDYDNUSA-N 306.450 1.870 0 40 DDAB CC(C)(C)SCC(=O)NCC(C)(C)N1CCS(=O)CC1 72284854 ZDGQQRBUZWNJRZ-UHFFFAOYSA-N 320.524 1.477 0 40 DDAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1nccnc1N 87481107 HIWSUIKECBWAKB-CYBMUJFWSA-N 300.362 1.563 0 40 DDAB CN(c1ccc(C(=O)NC(CO)CO)cc1)C1CCCCC1 97104354 OURGMORTEAFTKA-UHFFFAOYSA-N 306.406 1.539 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(CC(C)C)n[nH]1)CC2 95957989 NLDFEHFSMYGMCC-NSHDSACASA-N 302.382 1.253 0 40 DDAB O=C(NCC1CC1)[C@H]1CCCN(Cc2cc(=O)c(O)co2)C1 74350056 GTORUVXDLCTXDD-LBPRGKRZSA-N 306.362 1.084 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc3nnc(C)n3n1)CC2 89986570 LTIDFRUXIRQAAD-CHWSQXEVSA-N 317.393 1.189 0 40 DDAB COc1cc(C)cnc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 1550378983 IGQHXDLQLGPXSR-CQSZACIVSA-N 316.313 1.816 0 40 DDAB Cn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2cc(F)ccc21 22236193 HGOXHBGQIZOHCP-NSHDSACASA-N 304.321 1.586 0 40 DDAB CCOC(=O)c1cnc(NC[C@H]2CCN(C(C)=O)C2)nc1C 519000782 JPOYLYBDPVEMLR-GFCCVEGCSA-N 306.366 1.242 0 40 DDAB CN1C(=O)C[C@H](C(=O)NCCn2cccc2)[C@H]1c1ccccc1 524733376 MKCXJTYQEUAZSS-DOTOQJQBSA-N 311.385 1.824 0 40 DDAB CCN(CCC(=O)O)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 521879555 KAORMGPATNVMGG-BXUZGUMPSA-N 309.366 1.211 0 40 DDAB O=C(O)CCC(=O)N1CCC(c2nnc3ccccn23)CC1 36047693 QAHSZULTTKLWLU-UHFFFAOYSA-N 302.334 1.300 0 40 DDAB CN(C)Cc1ccccc1CNC(=O)[C@]1(C)CN(C)CCO1 72378286 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95936512 ZKMAGAPYZQZBHO-XBFCOCLRSA-N 318.329 1.477 0 40 DDAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)o1 96252987 XJCDGVXJBAZWOS-OWCLPIDISA-N 304.390 1.704 0 40 DDAB CCN(CC)C[C@@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@H]1O 514288436 FHQZGJHXUMNVFJ-HZSPNIEDSA-N 306.397 1.624 0 40 DDAB biogenic,in-vitro CC(C)[C@H](C(=O)NC[C@](C)(O)c1cnn(C)c1)N1CCCCC1 96450402 TWGUULUSSRAFST-WBVHZDCISA-N 322.453 1.254 0 40 DDAB COC[C@@H]1CN(Cc2nccs2)Cc2nnn(CC3CC3)c21 96060886 IBCAIMANYZDSGU-LBPRGKRZSA-N 319.434 1.890 0 40 DDAB CC(=O)N(C)Cc1ncn2c1CN(c1cnccn1)CCC2 96259277 FCQRJRIRMFDTJH-UHFFFAOYSA-N 300.366 1.062 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ncnn2C1 96189201 BUUHGZQUSWJZEM-GFCCVEGCSA-N 306.391 1.187 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 96057483 IYKHOZRQGCJVKE-RBSFLKMASA-N 324.446 1.633 0 40 DDAB O=C(c1ccoc1)N1CCc2ncc(Cn3cccn3)n2CC1 96196949 GWWWGYZJQBURBB-UHFFFAOYSA-N 311.345 1.419 0 40 DDAB CC(C)OC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccncn1)C2 96040541 NOXUNOZVBVPFGR-NVXWUHKLSA-N 319.405 1.913 0 40 DDAB Cc1nc(CN2Cc3ccnn3[C@H](CC(=O)N(C)C)C2)cs1 248049922 XFOBLEAJZHMATN-CQSZACIVSA-N 319.434 1.683 0 40 DDAB Cc1cncc([C@H]2CCCN2C(=O)CCCn2cncn2)n1 257294563 QURYOQTYQWNGGS-CQSZACIVSA-N 300.366 1.520 0 40 DDAB Cn1nccc1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257274730 NMJXBYBAMBQFNF-LLVKDONJSA-N 321.406 1.016 0 40 DDAB CCn1cc(C(=O)N2CCC(c3ccn4nccc4n3)CC2)cn1 257330205 XNJBDKUFTIELSC-UHFFFAOYSA-N 324.388 1.966 0 40 DDAB Oc1cc(CC[C@H]2CN(Cc3ccccn3)CCO2)ncn1 257276170 NSPSXMYCELHMPN-HNNXBMFYSA-N 300.362 1.411 0 40 DDAB CC(C)c1nnc(CCC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)o1 257224430 FBUAADZSVSAHOL-LRDDRELGSA-N 323.393 1.268 0 40 DDAB O=C(Cn1ccnc1)N1CC[C@@H]2[C@@H](CCCCN2CC2CC2)C1 257211768 CAHRUNXZVJAQMO-DLBZAZTESA-N 316.449 1.996 0 40 DDAB CN(CC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12)Cc1cccnc1 257291890 QJBUMELNHFQMTE-NUJGCVRESA-N 317.433 1.665 0 40 DDAB O=C1OC2(CCOCC2)CN1c1cncc([C@H]2CCCNC2)n1 257210664 BVQCJWZWLMZLRY-LBPRGKRZSA-N 318.377 1.449 0 40 DDAB COCC(=O)N1CC(c2ccnc(Nc3ccc(C)cn3)n2)C1 257334031 YEFYBFZNDIXFPP-UHFFFAOYSA-N 313.361 1.496 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)COc2c(C)cccc2C)[C@H]1O 257343298 ZSHYCCOMKZPRAE-IIAWOOMASA-N 307.390 1.727 0 40 DDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)CCn2nnc3ccccc32)C1 257278996 OENPMLCIRRJLRM-ZDUSSCGKSA-N 324.388 1.869 0 40 DDAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCC3CC3)CCO2)C1 575406835 VERKKMXKDANHPA-CYBMUJFWSA-N 303.424 1.385 0 40 DDAB CO[C@]1(COc2ccccc2)CCN(C(=O)Cc2cnc[nH]2)C1 585279510 ZHMZFXIQGBONIJ-QGZVFWFLSA-N 315.373 1.649 0 40 DDAB O=C(N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1)C1(F)CC1 585108857 WXCMBWGSJUFTDL-SOUVJXGZSA-N 320.364 1.859 0 40 DDAB Cc1ccc2[nH]c(C(=O)N[C@H](CO)c3cncn3C)cc2c1C 585140520 GRWDEYOWWNFJKI-OAHLLOKOSA-N 312.373 1.982 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1ccnn1C)[C@@H]2C 585098290 TUGPXQFLWBLUJN-GFCCVEGCSA-N 317.393 1.413 0 40 DDAB C[C@@H]1C[C@@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CCN1C 585140910 LEKZJCFTINEGJU-OCCSQVGLSA-N 322.453 1.948 0 40 DDAB CCc1ccsc1C(=O)N1CCC(N2CCNC2=O)CC1 53120690 ZNVNZLBVWPBIIM-UHFFFAOYSA-N 307.419 1.940 0 40 DDAB CCCc1noc([C@@H](C)SCc2nc(N)nc(N(C)C)n2)n1 56230071 MAACWMMPORDFIX-MRVPVSSYSA-N 323.426 1.850 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3n2CCC3)C12CCC2 76066590 VAHOWJAVQUOZLH-VXGBXAGGSA-N 319.409 1.371 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccccc2)C1 76969202 BCWYZXOWXISRMN-JSGCOSHPSA-N 308.403 1.134 0 40 DDAB O=c1oc(-c2ccco2)nn1Cc1cnn(-c2ccccc2)n1 78751939 AZFPAPBGWWEVEH-UHFFFAOYSA-N 309.285 1.725 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1oc(C)nc1C)CC2 89986398 ZCKVRCBVUVKENF-STQMWFEESA-N 308.378 1.684 0 40 DDAB CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(Br)cn1 97019273 QGIPEYTUBXNTGG-XVKPBYJWSA-N 319.224 1.686 0 40 DDAB Cc1nn(CC(=O)NC2CCC2)c(=O)c2cc3ccsc3n12 12114250 WROPABLUAJAAAQ-UHFFFAOYSA-N 316.386 1.688 0 40 DDAB CCOc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 19356993 MGNUILPDPJSUFD-AWEZNQCLSA-N 304.346 1.049 0 40 DDAB CCN1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1 19937303 RRIDGYJHHRIBFU-UHFFFAOYSA-N 312.373 1.215 0 40 DDAB CC(=O)N/C(=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)O 332053 AAJVHBSGWUAGPJ-WUXMJOGZSA-N 321.285 1.099 0 40 DDAB in-vitro Cc1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc1C 2803823 KMMUNUIGAOCEBF-UHFFFAOYSA-N 317.436 1.370 0 40 DDAB CCc1cnc(N2CCN(c3nc(C)nc(C)c3F)CC2)nc1 1888854022 URVAGLONHPRXLC-UHFFFAOYSA-N 316.384 1.912 0 40 DDAB O=C([C@@H]1CN(CCOc2ccccc2)CCO1)N1CCCCC1 1888910686 QILLEJOPKZBBKJ-KRWDZBQOSA-N 318.417 1.779 0 40 DDAB COCC(=O)N1CCN(Cc2cccc(Cl)c2F)CC1 128725992 KMQYGXFWLDPLKT-UHFFFAOYSA-N 300.761 1.770 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1F 30335231 MCHZTCCYEKQBTC-CABZTGNLSA-N 303.355 1.680 0 40 DDAB C[C@@H](Sc1n[nH]c(=O)n1C)c1nc2ccccc2c(=O)[nH]1 40161941 KSCCZXUSCZRGJF-SSDOTTSWSA-N 303.347 1.198 0 40 DDAB CCCc1noc(CN2CCC(C(=O)N3CCCC3)CC2)n1 40489787 RBNZXYYHIFMWNL-UHFFFAOYSA-N 306.410 1.857 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1cccc(OC)c1)C(=O)N2 31815600 VIGMKCVMCDECLO-LLVKDONJSA-N 315.333 1.371 0 40 DDAB COc1ncccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 40520985 SIERIMBJOOIUKP-AWEZNQCLSA-N 319.405 1.417 0 40 DDAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CCSCC1 32096170 YIWFZFIDAPDCBC-UHFFFAOYSA-N 309.782 1.505 0 40 DDAB O=C(NCCS(=O)(=O)Cc1ccccc1)c1cccnc1 32916019 FZEDKJOSPKSYLF-UHFFFAOYSA-N 304.371 1.426 0 40 DDAB COC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc21 419339 MNVSCGHEPGHNTN-UHFFFAOYSA-N 310.313 1.857 0 40 DDAB CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22227436 URKFJPRSBDEBEI-UHFFFAOYSA-N 306.391 1.852 0 40 DDAB O=C(CN1CCCCCC1=O)NCc1nnc2n1CCCCC2 41820993 KUVGSEWKJMFKPQ-UHFFFAOYSA-N 319.409 1.023 0 40 DDAB CC(C)(C)c1noc(CSCCCN2C(=O)CNC2=O)n1 78758400 TUQQJGSKSDDNBP-UHFFFAOYSA-N 312.395 1.542 0 40 DDAB Nc1nc(=O)n([C@H]2CCCCO2)cc1I 1644011 ZFWNHJCFKGYGTP-SSDOTTSWSA-N 321.118 1.129 0 40 DDAB COCCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(OC)c1 79324301 YBYZFFLJROICCA-GTJPDFRWSA-N 313.419 1.485 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccco2)cc1 3669424 KJTSLVWYDPSIEB-UHFFFAOYSA-N 308.359 1.394 0 40 DDAB CO[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@@H]2OC(C)(C)O[C@H]21 4946059 YRTLYGPRRYJPFB-SFDCQRBFSA-N 308.330 1.735 0 40 DDAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NC4CC4)c(=O)c23)C1 6087798 CMQYYJMIPWEITG-SECBINFHSA-N 317.414 1.861 0 40 DDAB CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 6762251 SULRIIYQLKYFLF-UHFFFAOYSA-N 313.423 1.072 0 40 DDAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 7581101 GZWWULMAAWLYJL-LLVKDONJSA-N 322.361 1.012 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](n2cncn2)C1 72272358 IEUAUIAZEVKISE-WFASDCNBSA-N 314.345 1.282 0 40 DDAB COCCN1CCN(CC(=O)NCCC2=CCCCC2)C[C@H]1C 72279846 HPNCVKYYYOCHRN-MRXNPFEDSA-N 323.481 1.646 0 40 DDAB CCOc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)cc1C 72280855 KQYVPJHIMSAWNN-UHFFFAOYSA-N 324.362 1.168 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(C)n2)c2ccccc2O1 25349941 ZJYIWNGVPOYOFP-OAHLLOKOSA-N 311.341 1.544 0 40 DDAB COCCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 55929423 RJKFPDQUFDLVLJ-NSHDSACASA-N 310.781 1.798 0 40 DDAB O=C(CN1CCN(c2ccccc2O)CC1)NCC(F)(F)F 57292057 MIZHEEHRNNYJRM-UHFFFAOYSA-N 317.311 1.193 0 40 DDAB CCc1noc([C@H](C)N2CCN(CC(=O)N[C@H](C)CC)CC2)n1 44744129 ACVHSPHGIDECNR-OLZOCXBDSA-N 323.441 1.225 0 40 DDAB C[C@@H](CNC(=O)NC[C@H]1CCCO1)N1CCc2sccc2C1 48263090 WZJODQHTXHCTNJ-GXTWGEPZSA-N 323.462 1.973 0 40 DDAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@H]3C2=O)c1 100179240 QHRTZOKZCQCLCG-ZBYUQBLASA-N 313.309 1.306 0 40 DDAB CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1COc2ccccc2C1 58217808 TXUYKGOSYXQQDB-HUUCEWRRSA-N 316.401 1.897 0 40 DDAB COc1ccccc1CNC(=O)NCCN1CCOC(C)(C)C1 58263866 CMFPSVZTAYRQEM-UHFFFAOYSA-N 321.421 1.605 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)[C@H](C)CO1 44909595 UKXKFWHOYLPYFH-JHJVBQTASA-N 318.373 1.436 0 40 DDAB Cc1ncc(CN2CCO[C@@H](CNc3cccnn3)C2)s1 84290621 RSYDHNAAWAVYKE-LBPRGKRZSA-N 305.407 1.554 0 40 DDAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)[C@H]1CCCO1 27888628 OFWSSEGEFUVJMW-BXUZGUMPSA-N 303.362 1.024 0 40 DDAB CC[C@@H](C)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 58370233 ZVTJLCWWSBNUQR-CQSZACIVSA-N 318.417 1.955 0 40 DDAB O=C(NC[C@H]1Cc2ccccc21)c1ccnc(-n2cncn2)c1 58314187 JOHBEBWHIKPHGT-CQSZACIVSA-N 305.341 1.732 0 40 DDAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cnccn1 58405609 GFDCCYDFYIFXNK-UHFFFAOYSA-N 310.357 1.643 0 40 DDAB CC(C)[C@@H](C(=O)NCc1ccccn1)N1C[C@H](C)O[C@H](C)C1 58412114 HJCFZINQQXRZOA-LZWOXQAQSA-N 305.422 1.832 0 40 DDAB C[S@@](=O)C[C@@H](NC(=O)c1ncccc1O)c1ccccc1 97141374 BQWVHUGDEXDIRR-GTJPDFRWSA-N 304.371 1.637 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1 50443778 FFRRZROBTNWPQM-ZDUSSCGKSA-N 304.394 1.017 0 40 DDAB COC(=O)c1sccc1NC(=O)c1nc2nccc(C)n2n1 3362468 DPKIQJQIAMEQJM-UHFFFAOYSA-N 317.330 1.533 0 40 DDAB COCCN(C(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 37980320 IRMDXLWSACJBTR-ZDUSSCGKSA-N 315.366 1.101 0 40 DDAB COc1c(S(=O)(=O)NCCO)ccc(Cl)c1Cl 11566257 PSDBFAXSVYRXMH-UHFFFAOYSA-N 300.163 1.273 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)CCC(=O)N2 45986116 AFQOZDKULWDIRM-NXEZZACHSA-N 324.402 1.182 0 40 DDAB CS(=O)(=O)N1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 48326161 MUQIFLYENLGFKW-UHFFFAOYSA-N 321.402 1.322 0 40 DDAB CC1(C)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC1=O 46089313 HKNMSJQFUGVYRE-UHFFFAOYSA-N 324.402 1.971 0 40 DDAB CN(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 2621833 XYFCHKOFFQUHHM-UHFFFAOYSA-N 316.313 1.777 0 40 DDAB O=c1[nH]c(Nc2ncccn2)nc2c1cnn2-c1ccccc1 20799819 ZPDFKLHWXUNJSU-UHFFFAOYSA-N 305.301 1.642 0 40 DDAB O=C(NCC1CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 47014168 ROTLOSHWNZNPQR-AWEZNQCLSA-N 309.410 1.209 0 40 DDAB CNC(=O)NC(=O)COC(=O)Cc1cccc2ccccc12 3508190 MDTBTHVIOWPTLE-UHFFFAOYSA-N 300.314 1.381 0 40 DDAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2nncn2C)cc1 13020294 ACDYMXVSKRJSFV-NSHDSACASA-N 308.407 1.807 0 40 DDAB CNC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 38893755 UOMPQMJDPGLADX-LBPRGKRZSA-N 318.352 1.834 0 40 DDAB COc1ccc(NC2CCN(CCN3CCOCC3)CC2)cn1 96006940 GATOVRBHYFQIGO-UHFFFAOYSA-N 320.437 1.299 0 40 DDAB CCN(C)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 65410302 SEYLKYTUABMEJP-UHFFFAOYSA-N 307.394 1.200 0 40 DDAB C[C@H](CCc1ccco1)NC(=O)NCC(=O)Nc1cccnc1 65566677 WLEXKPOYSUUZSH-GFCCVEGCSA-N 316.361 1.934 0 40 DDAB COc1ccc(Cn2c(=O)[nH]n(-c3ccccc3)c2=O)cc1F 6508269 GCWCNYPFSRDHKY-UHFFFAOYSA-N 315.304 1.523 0 40 DDAB CC[C@H](C)NC(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 6678897 PSNBMAPOTGRMKG-VIFPVBQESA-N 309.391 1.159 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 9484125 DTBFPUYOVWEFSM-AWEZNQCLSA-N 314.389 1.664 0 40 DDAB O=C(NCCn1cccc1)NCc1cccc(Cn2cncn2)c1 84416966 IJPBUELUNPOIGV-UHFFFAOYSA-N 324.388 1.627 0 40 DDAB CC(C)(C)c1cc(NC(=O)CC2(CS(C)(=O)=O)CC2)[nH]n1 80066846 JXUZLBZCNCBGDZ-UHFFFAOYSA-N 313.423 1.861 0 40 DDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccn(C(C)C)n1 96405863 KWPZCANBQJHKKO-CYBMUJFWSA-N 324.450 1.848 0 40 DDAB CN(C)C(=O)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1 306128479 HBGBYGHEYYQQBW-HNNXBMFYSA-N 315.377 1.361 0 40 DDAB COc1nc(C)cc(C)c1CNC(=O)C(=O)Nc1nccs1 67599408 QFNXIGYFODDEIZ-UHFFFAOYSA-N 320.374 1.418 0 40 DDAB CCn1c(C)nnc1CN1CCN(C(=O)OC(C)(C)C)CC1 95393596 NALBLJBQDUANOG-UHFFFAOYSA-N 309.414 1.659 0 40 DDAB NC(=O)CC1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 71837314 OWMDJGWLSUYLJU-HUUCEWRRSA-N 319.380 1.979 0 40 DDAB CC(C)(C)c1nnnn1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 71839270 XNSIPOQNIYKFCU-NWDGAFQWSA-N 307.398 1.141 0 40 DDAB O=C(COc1cccc2ccccc12)NCCN1CCOCC1 19920471 UHUCIVJPYGPBQT-UHFFFAOYSA-N 314.385 1.667 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)n1 69565167 FKXVHRCYPUZCJN-YPMHNXCESA-N 304.394 1.488 0 40 DDAB CCOCCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 69740062 NNNZEFRJJCUBQH-AWEZNQCLSA-N 320.389 1.196 0 40 DDAB CCn1cnnc1CNC(=O)N1CCN(c2cccs2)CC1 95411001 UQNSATMUZPJEHV-UHFFFAOYSA-N 320.422 1.391 0 40 DDAB NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 70975395 MYGZQTYIPSKDRN-VIFPVBQESA-N 308.325 1.817 0 40 DDAB CCc1nnsc1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 95425298 UPYBBAMAUSPYNR-NSHDSACASA-N 319.386 1.774 0 40 DDAB C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1cncc(F)c1 95421134 XYACGBUASLPBDL-GFCCVEGCSA-N 323.393 1.850 0 40 DDAB N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 95426505 ZJWLNYXPPQQZRB-CVEARBPZSA-N 315.417 1.170 0 40 DDAB C[C@@](O)(CC(=O)N1CCN(c2nccs2)CC1)C(F)(F)F 73459842 XDTDRVRWZASMET-LLVKDONJSA-N 323.340 1.495 0 40 DDAB Cc1nn(C(C)(C)C)c(=O)n1CCCS(=O)(=O)C(C)C 95939577 MFKYDAORGHYHDD-UHFFFAOYSA-N 303.428 1.322 0 40 DDAB COc1ccc(-n2ccc(C(=O)N3CC[C@H](C(=O)O)C3)n2)cc1 95971429 QXFBLNKMRMVWBQ-NSHDSACASA-N 315.329 1.428 0 40 DDAB COc1ncccc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 95957977 WEYQJTQPGBUSGY-NSHDSACASA-N 315.377 1.550 0 40 DDAB COCCN1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 89414208 BQDYLPLEHRVFPH-GJZGRUSLSA-N 306.406 1.858 0 40 DDAB COc1ccnc(N2CCCN(Cc3nc(C)c(C)o3)CC2)n1 89558342 ROIWXVUWTGMUSK-UHFFFAOYSA-N 317.393 1.802 0 40 DDAB CC(Cl)(Cl)C(=O)NCCC(=O)NCc1ccccn1 123026694 ZRELCOMLXPAMBQ-UHFFFAOYSA-N 304.177 1.398 0 40 DDAB c1ccc(-n2cnnc2NCc2cnc(N3CCCC3)nc2)cc1 556338098 UXQODZURRRFXOV-UHFFFAOYSA-N 321.388 2.270 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2nc3ccccc3s2)CC1 173025293 OBELTSYEADBPQW-UHFFFAOYSA-N 323.443 1.911 0 40 DDAB COC(=O)c1cccnc1S[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@H]31 35325732 AHWJVKRUQMIORR-AWHZUTQYSA-N 305.355 1.910 0 40 DDAB Cn1cc(CN2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)cn1 306128945 HOZAMRQCIZVJAQ-HOTGVXAUSA-N 320.400 1.908 0 40 DDAB COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(C)CC1 74861095 DGDVTTOOWGUVNP-UHFFFAOYSA-N 318.826 1.721 0 40 DDAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(C=O)CC1 216430931 KYAZWZIGLIVIGG-OAHLLOKOSA-N 306.362 1.153 0 40 DDAB Cn1nc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c2ccccc2c1=O 72404910 LVPBZMYCBWTTRQ-FRRDWIJNSA-N 309.369 1.876 0 40 DDAB NC(=O)CN1CCC([C@H]2CCCCN2Cc2ccccn2)CC1 72367848 MQKPZEJESRFKKZ-QGZVFWFLSA-N 316.449 1.633 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 26492118 VANMIQQIIPTLIQ-XATPRSSQSA-N 319.430 1.891 0 40 DDAB C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79391340 DIGWOMVPCPXZDF-AAEUAGOBSA-N 311.426 1.724 0 40 DDAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCO 222911045 LZPUDUWIDNHOGR-LBPRGKRZSA-N 310.369 1.307 0 40 DDAB CCC[C@H](C)CS(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 195553245 JLRUJWCNQXSXIM-KBPBESRZSA-N 314.455 1.756 0 40 DDAB CC(C)NC(=O)CCNC(=O)c1cn(-c2ccccc2)cn1 226754129 CDZJBBGQMCRJOM-UHFFFAOYSA-N 300.362 1.517 0 40 DDAB CSCc1cc(F)ccc1CNC(=O)[C@@H]1CC(=O)N(C)C1 87434970 NJXWBBPOSDCTER-LLVKDONJSA-N 310.394 1.783 0 40 DDAB CN1c2ncccc2CN(C(=O)NC2CCC2)CC[C@H]1CO 225493167 WMTHRTKYITXUIQ-AWEZNQCLSA-N 304.394 1.347 0 40 DDAB biogenic,in-vitro Cc1nnc(CN(C)CCN2CCN(c3ccccc3)CC2)o1 96414991 NRWPRNUDXMXSFH-UHFFFAOYSA-N 315.421 1.632 0 40 DDAB CCN1CCO[C@@H]2CN(Cc3ccc4c(c3)OCO4)CC[C@@H]2C1 96249564 RUDXICLZCGIOTM-CRAIPNDOSA-N 318.417 1.958 0 40 DDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)N(C)C)n1 96056651 VLGOHVFVWIZCKB-HUUCEWRRSA-N 316.405 1.637 0 40 DDAB C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1F)c1nnn[nH]1 97102554 BYCVKJVFJRXKQI-YFKPBYRVSA-N 301.684 1.665 0 40 DDAB Cn1c(SC[C@H](O)C(F)(F)F)nnc1-c1cccnc1 97378026 JCXGLOROAAAKPX-QMMMGPOBSA-N 304.297 1.892 0 40 DDAB O=C(C1=COCC1)N1CCN(c2nncc3ccccc23)CC1 95405222 ZCVQLMGTPWPYMO-UHFFFAOYSA-N 310.357 1.583 0 40 DDAB CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)CC1 96111915 ZLFHPSPTXVKYCS-HOCLYGCPSA-N 315.417 1.579 0 40 DDAB biogenic,in-vitro O=c1nc(N2CCCC2)[nH]c2c1CCN(Cc1ccccc1)C2 95951700 CMDNNVOXVGNXSZ-UHFFFAOYSA-N 310.401 1.928 0 40 DDAB COc1ccc(C(=O)NCCn2c(C)nc3ccccc32)nn1 96414242 IMEPTRXGTPTGJX-UHFFFAOYSA-N 311.345 1.573 0 40 DDAB NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl 97380094 LYHHHPDTAZMDDE-XVKPBYJWSA-N 320.773 1.411 0 40 DDAB CCN1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96263459 MLUZWYDXPNLFPP-UHFFFAOYSA-N 310.419 1.459 0 40 DDAB COC[C@](C)(NS(=O)(=O)c1cnn(C)c1)c1ccccc1 96456760 DKHSDWOURJQULD-AWEZNQCLSA-N 309.391 1.260 0 40 DDAB CCOC[C@H]1CN(C(=O)c2ccncc2F)Cc2nccn2C1 96066814 XRICXFSRPOKSRY-GFCCVEGCSA-N 318.352 1.726 0 40 DDAB CC[C@@]1(C)CN(C[C@H](O)CN2CCO[C@](C)(CC)C2)CCO1 248733524 LZWGZZUYXHFHSR-OSYLJGHBSA-N 314.470 1.349 0 40 DDAB CS[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CN(C)CCN1C 245289635 DEMTVWLWAIOBOX-BFHYXJOUSA-N 314.499 1.206 0 40 DDAB CCCCCCN1CC2(C1)CN(C(C)=O)C[C@@H]1COCCN12 604381058 CWBFTIQZLMPSMB-MRXNPFEDSA-N 309.454 1.184 0 40 DDAB biogenic,in-vitro CNc1cccc([C@@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 257238094 HJOFOOUGYHKWGF-ZDUSSCGKSA-N 304.394 1.295 0 40 DDAB CCc1nccn1CCC(=O)N(C)[C@@H]1CCC[C@@H](OC)[C@@H]1O 257274136 NJRZENCYPDUYLN-XJKCOSOUSA-N 309.410 1.222 0 40 DDAB CNC(=O)[C@@]1(CCCc2ccccn2)CCCN(CCOC)C1 257241727 HZJMZVSTUMFHNO-SFHVURJKSA-N 319.449 1.879 0 40 DDAB Cc1cccc(OC[C@H](O)CN2CC[C@@H](c3nccn3C)C2)c1 540464012 LKVVTESQLBJRLA-HZPDHXFCSA-N 315.417 1.958 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H]2NCCCC[C@H]2C1 257216546 CUZMOFBKHLOKLD-GOEBONIOSA-N 304.438 1.950 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3[C@H]4CCCC[C@H]43)ccc21 253612839 OJJDUKQOAPKMLX-YABSGUDNSA-N 322.386 1.598 0 40 DDAB Cn1cnc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c1 257330030 XMMGDPGWXJUITL-NVXWUHKLSA-N 315.373 1.465 0 40 DDAB Cc1cccc(OC[C@]2(O)COCCN(C3CCOCC3)C2)c1 585269374 QTJRWTZVMZFUCY-GOSISDBHSA-N 321.417 1.616 0 40 DDAB CC1(C)C[C@H](S(=O)(=O)NCCc2noc3ccccc23)CO1 585123423 XTRPWLVUFNMWHO-NSHDSACASA-N 324.402 1.857 0 40 DDAB Cc1cnn(CCNCC(=O)NCCc2c(F)cccc2F)c1 72253144 WZORXWOSNSOLSG-UHFFFAOYSA-N 322.359 1.418 0 40 DDAB C[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1nncn1C 43789369 OTXHPBJGBULFPX-JTQLQIEISA-N 323.784 1.908 0 40 DDAB O[C@H](CN1CCN(c2cnccn2)CC1)c1ccccc1Cl 46057611 MFWFSMOCEIYPDI-OAHLLOKOSA-N 318.808 1.986 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc(C)no2)C1 56131066 XKWVKBYSENDGSY-QWHCGFSZSA-N 306.366 1.095 0 40 DDAB COc1ccc(S(=O)(=O)NCC[C@H](O)C2CC2)cc1Cl 77108066 FGDJRVHJYFHJAT-LBPRGKRZSA-N 319.810 1.788 0 40 DDAB CN(CC(N)=O)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 60564386 XVSPBIARIHXOSK-UHFFFAOYSA-N 321.764 1.871 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)nn2C)cc1 11694277 CQNYRRCBDLNGHC-UHFFFAOYSA-N 321.402 1.839 0 40 DDAB COCCCN1CC2=C(C1=O)[C@@H](c1cccc(C)c1)NC(=O)N2 12346138 PUVKYHPRVSLERC-OAHLLOKOSA-N 315.373 1.482 0 40 DDAB CCCCNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850574 CCTAZYQLMKATNU-UHFFFAOYSA-N 315.373 1.377 0 40 DDAB Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(C)CC1)CS2 14031881 UBXMBXBJSRXREX-GFCCVEGCSA-N 307.419 1.847 0 40 DDAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(S(N)(=O)=O)cc1 17851831 DRHUNQSXVGDWBY-AAEUAGOBSA-N 308.403 1.868 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1 240067939 SEBDQHQTPHKLOW-RBSFLKMASA-N 319.357 1.540 0 40 DDAB COC[C@@H]1CN(C(=O)c2csc(C)n2)Cc2cn(C)nc21 1614930813 BYFQQKQNOOAJRV-NSHDSACASA-N 306.391 1.571 0 40 DDAB Cc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)o1 1565554826 GOEZWHQQHPDKER-VNHYZAJKSA-N 318.373 1.440 0 40 DDAB CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(F)cc1 56353 SEMNDGCQWVCZHY-UHFFFAOYSA-N 318.268 1.215 0 40 DDAB Cn1c(NC(=O)Cc2cccc3ccccc23)cc(=O)n(C)c1=O 2711265 AXPZVPUIGVHMOG-UHFFFAOYSA-N 323.352 1.418 0 40 DDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055715725 FACXSPUIRMHYSE-OLZOCXBDSA-N 320.437 1.746 0 40 DDAB O=C(NC1CC1)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713896 WTIDFZWDVQVUNT-GFCCVEGCSA-N 316.405 1.350 0 40 DDAB CC(=O)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 2055781535 MLUDKLUKONKMFZ-UHFFFAOYSA-N 304.390 1.222 0 40 DDAB Cn1cc(-c2ccc(CNC(=O)NC[C@@H]3CCCO3)cn2)cn1 575617579 XJDOQOJBRALLTO-AWEZNQCLSA-N 315.377 1.460 0 40 DDAB O=C(N=c1cc[nH]cc1)[C@H]1CCCN(c2cc3c(nn2)CCC3)C1 618257051 PRNGGEQORLOBIA-AWEZNQCLSA-N 323.400 1.637 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)c(Cl)cc1F 96472691 OFHXPLGWUSTASW-SNVBAGLBSA-N 320.773 1.297 0 40 DDAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CNCCCO 33736598 YVHMDUOTURLDTR-WBVHZDCISA-N 317.433 1.101 0 40 DDAB CS(=O)(=O)N1CCC(NCc2ccc(F)c(F)c2)CC1 30656243 ZPTHGWRWZDHWJD-UHFFFAOYSA-N 304.362 1.478 0 40 DDAB CCCCN(C)S(=O)(=O)NCc1ccnc(-n2cccn2)c1 40511357 YQQZKAUKLRANOS-UHFFFAOYSA-N 323.422 1.334 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 40512925 AYNQNPHTDKYRNM-UKRRQHHQSA-N 317.389 1.068 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@@H](C)O1 40513831 GYIAUFXAGTXNEU-TXEJJXNPSA-N 316.361 1.700 0 40 DDAB CC1=C(C(N)=O)[C@@H](c2c[nH]nc2-c2ccccc2)n2ncnc2N1 20606727 MTWDIQIBCKUUNV-CQSZACIVSA-N 321.344 1.442 0 40 DDAB CCc1cc(NC[C@@H](C(C)C)N2CCOCC2)n2ncnc2n1 51650578 RDESRDJZIBNLNW-AWEZNQCLSA-N 318.425 1.455 0 40 DDAB O=C(O)[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 32187250 DIQZVCVQNYHKSY-HNNXBMFYSA-N 302.374 1.368 0 40 DDAB Cn1ncc2c(NCc3ccc(-n4cncn4)cc3)ncnc21 52324900 AWJUNQDVAAGKMI-UHFFFAOYSA-N 306.333 1.556 0 40 DDAB CN(C)[C@H](CNC(=O)CCn1cncn1)c1cccc(F)c1 41950055 MAVXXJMWERATFQ-CQSZACIVSA-N 305.357 1.226 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)[nH]1 75118307 ONALRCGXGFOFDX-UHFFFAOYSA-N 311.385 1.641 0 40 DDAB CCc1nnc([C@H](C)N2CCO[C@H](CNc3cccnn3)C2)o1 78894041 NGZKAJZYILJZON-NWDGAFQWSA-N 318.381 1.296 0 40 DDAB O=C(NCCNC(=O)c1c(F)cccc1F)Nc1cccnc1 79035907 UWFQLJCFYSONML-UHFFFAOYSA-N 320.299 1.911 0 40 DDAB CCSCCS(=O)(=O)CS(=O)(=O)CCSCC 1679033 DLVWFGAWZWUHDZ-UHFFFAOYSA-N 320.523 1.280 0 40 DDAB Cc1ccoc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 23481525 SOODXNFEZGDTJM-SNVBAGLBSA-N 308.359 1.726 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 3487599 AHGSODYTZRNCHZ-CYBMUJFWSA-N 303.362 1.900 0 40 DDAB CC(C)NC(=O)CNC(=O)CSc1ccc(F)cc1F 23926560 GIJMZKWYRSJQQZ-UHFFFAOYSA-N 302.346 1.698 0 40 DDAB Cc1noc(COCC(=O)N(CC(F)F)CC2CCC2)n1 89721179 SVPLOGSPHZTBRL-UHFFFAOYSA-N 303.309 1.788 0 40 DDAB CC(=O)N[C@H](CC(=O)Nc1ccn(C)n1)c1ccc(C)cc1 24481417 UHOJDBUBCQHUSI-CQSZACIVSA-N 300.362 1.935 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccco2)c1 24442883 SJEJVTZISQEILZ-UHFFFAOYSA-N 322.386 1.605 0 40 DDAB Cn1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cn1 89761570 LAAAARFEDULKLZ-UHFFFAOYSA-N 301.397 1.370 0 40 DDAB CC(C)CNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 6375752 PRRFRTQATCTVTR-UHFFFAOYSA-N 312.435 1.263 0 40 DDAB Cc1c(C(=O)NCc2cccc(Cn3ccnc3)c2)cnn1C 24751443 YVOAKYLFFIWHKN-UHFFFAOYSA-N 309.373 1.903 0 40 DDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](C)CC(=O)OC)C1 106835447 JZQYCUHQYRKIES-XQQFMLRXSA-N 312.410 1.339 0 40 DDAB NC(=O)NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 55855511 GNCOPOFSTMMPOS-HNNXBMFYSA-N 301.321 1.700 0 40 DDAB Cc1csc(=O)n1CCN1CCC[C@H](C(=O)NCC2CC2)C1 47980606 YTGJQBCYEFMXDR-AWEZNQCLSA-N 323.462 1.456 0 40 DDAB O=C(O)CCN1CCN(CCOc2ccc(Cl)cc2)CC1 35125601 DHHOPVSDZIMSCW-UHFFFAOYSA-N 312.797 1.811 0 40 DDAB COc1ccc(CCNC(=O)COC(=O)c2cnccn2)cc1 3250150 LDIOGZSHAFTGQH-UHFFFAOYSA-N 315.329 1.001 0 40 DDAB NC(=O)C1CCN(CCCc2nc(-c3cccs3)no2)CC1 26467499 CIICWBDDQKOLNZ-UHFFFAOYSA-N 320.418 1.928 0 40 DDAB COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 110647323 NKBXRJUNSMHHHK-BYCMXARLSA-N 313.357 1.859 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 48127080 ZFVHXWAOTLMQGA-CJNGLKHVSA-N 312.369 1.935 0 40 DDAB O=C(O)CCN1CCN(C(=O)c2c(F)cccc2Cl)CC1 35686980 VHWYFKQWLLGWNF-UHFFFAOYSA-N 314.744 1.712 0 40 DDAB O=C(NC1CCC(O)CC1)c1ccc(N2C(=O)CCC2=O)cc1 10031292 KIKZTKFAVKUMPI-UHFFFAOYSA-N 316.357 1.373 0 40 DDAB Cn1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc21 44720170 BOVYIKAUOOZQLL-LLVKDONJSA-N 306.387 1.343 0 40 DDAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)C(=O)N1CCOCC1 58215537 NOONHHCVGHRJFG-SECBINFHSA-N 314.744 1.456 0 40 DDAB CCOCC(=O)N1CCC2(CC1)CC(Nc1ncccn1)C2 108534921 ULWLBLWIPBCEDK-UHFFFAOYSA-N 304.394 1.696 0 40 DDAB Cn1nc(Oc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O 12793959 JPFIAUXIKREMHR-UHFFFAOYSA-N 302.117 1.578 0 40 DDAB Cc1cc(S(=O)(=O)NCCCN2CCCC2)ccc1F 170939461 STEQTHAHMOYOCX-UHFFFAOYSA-N 300.399 1.898 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC2(CC1)OCCO2 58326484 WEKLWGDWEXKKOJ-AWEZNQCLSA-N 309.337 1.879 0 40 DDAB COc1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1 27941423 GKTPYZREIPAZML-UHFFFAOYSA-N 315.782 1.561 0 40 DDAB COC(=O)[C@@H](C)CC(=O)N1CCN(Cc2ccccc2)CC1 84636722 RSRWPEBNKGUAAU-AWEZNQCLSA-N 304.390 1.530 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccccc1F 48366135 LVQOYZWEBSGGTD-BXUZGUMPSA-N 306.341 1.444 0 40 DDAB Cc1cc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)no1 46154525 JQAXGUPHCKSMQQ-UHFFFAOYSA-N 313.335 1.223 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)CCC1=O 84779840 KFZOTYVVYUAQTC-GFCCVEGCSA-N 317.393 1.422 0 40 DDAB CN(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 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FINNIUFBEGRHBU-GOSISDBHSA-N 321.417 1.352 0 40 DDAB O=C(CSc1nncs1)NC(=O)NC1CCCCC1 5054623 VLUVOKXWYXTUEZ-UHFFFAOYSA-N 300.409 1.789 0 40 DDAB O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCCCC1 5861277 LMAUTYGAUUIQLN-UHFFFAOYSA-N 322.336 1.111 0 40 DDAB aggregator COc1ccc(OC)c([C@H](C)NC[C@@H](O)CN2CCOCC2)c1 12569644 LAWLCHLREIVSPN-UONOGXRCSA-N 324.421 1.048 0 40 DDAB COc1ccc([C@@H]2NC[C@@]3(C)CN2C[C@@H](C)[C@@H]3O)cc1OC 19332990 DUDNGERFGALUCI-BEMMVCDISA-N 306.406 1.625 0 40 DDAB COCCNc1ncc(-c2cnccn2)c([C@@H]2CCCO2)n1 19593607 GNMWMEYRINKBRM-ZDUSSCGKSA-N 301.350 1.843 0 40 DDAB CCOC(=O)[C@@H](C)NC(=O)N1CCOc2ccc(F)cc2C1 575615423 FCXPRRYMWZTHCI-SNVBAGLBSA-N 310.325 1.681 0 40 DDAB C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(N)=O 11548049 NOMWTQOIEGYCDR-VIFPVBQESA-N 317.320 1.531 0 40 DDAB O=C([C@H]1CN(Cc2ccc(Cl)cc2)CCO1)N1CCOCC1 1889125048 JUUKWSQQTJILLP-OAHLLOKOSA-N 324.808 1.400 0 40 DDAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl 13000308 JCYANHTXXVPWLM-SNVBAGLBSA-N 321.757 1.805 0 40 DDAB CN1CCC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1614947381 KWVOHTIWDJNIDQ-MRXNPFEDSA-N 307.369 1.086 0 40 DDAB O=C(NCc1cccs1)N1CC[C@H](Oc2cnsn2)C1 1565523269 KNUCHQORBSBUGD-VIFPVBQESA-N 310.404 1.963 0 40 DDAB CCN1CC2(CCN(C(=O)CCc3cncnc3)CC2)CC1=O 1565552338 ZYZCWLGRRPYFSZ-UHFFFAOYSA-N 316.405 1.270 0 40 DDAB COC(=O)c1ccc(CSc2nc(O)c3c[nH]nc3n2)o1 4249707 JBBRQCNUFSVKAM-UHFFFAOYSA-N 306.303 1.730 0 40 DDAB O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)NC1CCCCC1 4249649 HCTZTBYPYYWKIM-UHFFFAOYSA-N 307.379 1.187 0 40 DDAB CN(C)CCN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 22466356 GQHMXYYNWFWRAJ-LBPRGKRZSA-N 313.785 1.273 0 40 DDAB Cn1cc(-c2cc(CNC(=O)c3cccn(C)c3=O)ccn2)cn1 575617553 FPJWLNSFDNFBGJ-UHFFFAOYSA-N 323.356 1.111 0 40 DDAB COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 32717067 XTNNFQRWUNFASL-ZDUSSCGKSA-N 302.374 1.665 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 40486172 IMCWGTDHMFTPCS-SECBINFHSA-N 304.268 1.884 0 40 DDAB C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccc(F)c1 40468194 GLABRARFWJGAOY-ZWNOBZJWSA-N 314.382 1.427 0 40 DDAB CCC(=O)NCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 51182338 OQFWODPNOKSGIS-UHFFFAOYSA-N 314.389 1.795 0 40 DDAB COc1ccc(S(=O)(=O)NCCc2cccnc2)cc1F 40520494 VTPWNAGFJBRPKB-UHFFFAOYSA-N 310.350 1.750 0 40 DDAB CCOc1cccc2c1OCC(C(=O)NCCNC(C)=O)=C2 40529631 BGUWRRBXVQYTTO-UHFFFAOYSA-N 304.346 1.113 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 40597730 DEAOVPVQIMOIFS-LBPRGKRZSA-N 300.399 1.754 0 40 DDAB CCC(Nc1cc(OC)ccc1OC)=C1C(=O)NC(=O)NC1=O 101086953 LOQRVCQTFAAPSV-UHFFFAOYSA-N 319.317 1.146 0 40 DDAB O=C(CCc1nc(-c2cccnc2)no1)NCC(F)(F)F 32824911 LPUMBMVZDJXLNK-UHFFFAOYSA-N 300.240 1.743 0 40 DDAB CNC(=O)c1nn(C[C@H](O)c2ccccc2)c(=O)c2ccccc12 32907294 QSXFWAXTKBZEJA-HNNXBMFYSA-N 323.352 1.490 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C)s2)o1 32914332 PAJBNNXHJGCUAO-UHFFFAOYSA-N 315.376 1.513 0 40 DDAB COCCNC(=O)CNC[C@H](c1ccco1)N1CCCCC1 22039568 QYFQWTWJZQXHSY-CQSZACIVSA-N 309.410 1.159 0 40 DDAB COc1cccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)c1OC 33452414 CJLJIHSLAZYFHR-VFNNOXKTSA-N 307.346 1.942 0 40 DDAB CCCCn1nc(C)c(C(=O)N2CC[C@H](C(N)=O)C2)c1Cl 53891547 PSRYASKNUSTBJG-JTQLQIEISA-N 312.801 1.592 0 40 DDAB CNC(=O)CSc1nnc(COc2ccccc2C)n1C 410956 ZNYKXLSJUPXNOM-UHFFFAOYSA-N 306.391 1.541 0 40 DDAB COC(=O)c1ccc(NC(=O)Cn2nnnc2C(C)(C)C)cc1 47256321 ULYSZOCIZYJSPM-UHFFFAOYSA-N 317.349 1.396 0 40 DDAB Cc1noc(C)c1C(=O)NCCS(=O)(=O)c1ccccc1 47386458 UZRPSUCYFKYLCS-UHFFFAOYSA-N 308.359 1.495 0 40 DDAB CCc1nnc(SCC(=O)Nc2cccc(F)c2C)n1N 1094352 BJFOUKXEHNIMAU-UHFFFAOYSA-N 309.370 1.733 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(C(N)=O)cc1 23223806 KRLDLKPRTRPFCG-VXGBXAGGSA-N 318.373 1.732 0 40 DDAB O=C(Cn1ccccc1=O)Nc1ccc(-n2cccn2)c(F)c1 47691159 JNAQUHWHYUMWAO-UHFFFAOYSA-N 312.304 1.812 0 40 DDAB C[C@H]1CCc2nc(NC(=O)N3CC[C@H](C(N)=O)C3)sc2C1 47753058 NASNPFRWOORMLY-IUCAKERBSA-N 308.407 1.607 0 40 DDAB COCCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 2923387 DLHONBZEUCUXMJ-HNNXBMFYSA-N 320.389 1.940 0 40 DDAB CCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 3394190 NWFCKUNKCMNENA-UHFFFAOYSA-N 308.153 1.446 0 40 DDAB COc1ccc(CCNC(=O)C(=O)NC(C)(C)C)cc1OC 4122315 HUFGQUSCVVSQTQ-UHFFFAOYSA-N 308.378 1.277 0 40 DDAB biogenic CCc1ccc(NC(=O)CN2CCC(NC(C)=O)CC2)cc1 4908616 GTUITTXWEHCEEW-UHFFFAOYSA-N 303.406 1.788 0 40 DDAB O=C(CN1CCC[C@@H]1c1cccs1)N[C@H]1CCCCNC1=O 106560265 CKDVDBDRFPLIIR-QWHCGFSZSA-N 321.446 1.670 0 40 DDAB CC(C)Cc1ccc([C@@H](O)CN2CCN(CCO)CC2)cc1 51091355 XYXUMBQWJWPNHT-SFHVURJKSA-N 306.450 1.528 0 40 DDAB COC(=O)[C@@H]1CC(=O)NN(C(=O)Nc2ccc(Cl)cc2)C1 1400444 INXBAPQODZUHAV-MRVPVSSYSA-N 311.725 1.398 0 40 DDAB Cn1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)n1 101337912 OLRWAKAUQIBSIM-PFONDFGASA-N 316.342 1.443 0 40 DDAB CCCn1nc(C(=O)NC[C@H]2Cc3ccccc3O2)ccc1=O 43772623 YJXLYFAQMRBHCO-CYBMUJFWSA-N 313.357 1.387 0 40 DDAB COCCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cn1 57506260 YKJITKPMTSZMHG-UHFFFAOYSA-N 319.365 1.504 0 40 DDAB COc1ccccc1-n1nc(CSc2nnnn2C)cc1O 9939782 BDIAEDYGCGQKCC-UHFFFAOYSA-N 318.362 1.402 0 40 DDAB CC[C@@H](C)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1 57978419 ZFVMVTIXOJRSJE-CQSZACIVSA-N 317.433 1.926 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3cccc(OC)n3)C[C@@H]21 108531356 NKWUPGOZEPTOKG-HOTGVXAUSA-N 321.421 1.012 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)no1 35989375 IDEQQTGVYIAXOI-CYBMUJFWSA-N 303.318 1.497 0 40 DDAB C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NC(N)=O 58161940 QVASDNPWTGIFGK-HTQZYQBOSA-N 303.284 1.939 0 40 DDAB CCN1C[C@@H](CN(C)C(=O)Cn2cccn2)Oc2ccccc21 44896962 SKAWHAHIHYPUPY-CQSZACIVSA-N 314.389 1.629 0 40 DDAB CC[C@@](C)(NS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 58268632 CORINHYHAWWDPE-CQSZACIVSA-N 313.375 1.509 0 40 DDAB Cc1cc(NC(=O)NCCOc2ccc3c(c2)OCO3)no1 44972039 LXSFTKYPRGDEJM-UHFFFAOYSA-N 305.290 1.912 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 44942387 KFHBCSHHMSJAFF-LBPRGKRZSA-N 306.753 1.571 0 40 DDAB CCN(C(=O)N1CCN(C(=O)c2cccnc2)CC1)C(C)C 97141726 LLUYDKMXPJYDEG-UHFFFAOYSA-N 304.394 1.690 0 40 DDAB Cc1ccc(C(=O)NCCC(=O)NCc2ccncc2)cc1F 58329377 DLQCRAMDMHGNIP-UHFFFAOYSA-N 315.348 1.965 0 40 DDAB O=C(Cc1noc2ccccc12)Nc1cccnc1-n1cncn1 58331830 XCXHHQBSOWGXLK-UHFFFAOYSA-N 320.312 1.985 0 40 DDAB CC(C)[C@@H](C(=O)NCc1ccncc1)N1C[C@@H](C)O[C@H](C)C1 58424171 OADDOMDFUWXDJV-FMKPAKJESA-N 305.422 1.832 0 40 DDAB O=C(CCNc1ncccn1)NCc1ccnc(-n2cccn2)c1 48264055 BOVZLSQIPVFIHF-UHFFFAOYSA-N 323.360 1.176 0 40 DDAB Cc1nnc(NC(=O)[C@H](c2ccccc2)n2cnnn2)s1 36367321 YDCDFDGAULXBBC-JTQLQIEISA-N 301.335 1.061 0 40 DDAB CC[C@@H](C)NC(=O)CN1CCN(c2ccccc2OC)CC1 58746844 UYELIFITHBCMEL-CQSZACIVSA-N 305.422 1.732 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)c1 24710519 VCCXLIGHLOEGKM-UHFFFAOYSA-N 324.402 1.132 0 40 DDAB Cc1cc(C)c(NC(=O)CN2CCC(C(N)=O)CC2)c(C)c1 3332953 YOEQONJRWSIKRU-UHFFFAOYSA-N 303.406 1.748 0 40 DDAB CC(=O)NCCC(=O)OCc1nnc(-c2ccccc2Cl)o1 11775754 ZTJNHWVIDNAQKG-UHFFFAOYSA-N 323.736 1.959 0 40 DDAB COc1ccc(NC(=O)COC(=O)c2ccccn2)cc1OC 2625390 LCPUGNBINRRPLA-UHFFFAOYSA-N 316.313 1.894 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)NCc2nnc3n2CCC3)c1 48333265 HBXYUOHKUBIKCQ-UHFFFAOYSA-N 310.354 1.150 0 40 DDAB Nc1cc(N)nc(SCC(=O)Nc2c(F)cccc2F)n1 3510263 IDBGYGLQTVOPMV-UHFFFAOYSA-N 311.317 1.650 0 40 DDAB CN(Cc1ccsc1)C(=O)c1ccc(S(N)(=O)=O)o1 48674545 SPJKBXGEIQVISI-UHFFFAOYSA-N 300.361 1.261 0 40 DDAB O=C(c1ccc2cnncc2c1)N1CCN(c2ccccn2)CC1 408979221 QDIBNLSJYFTMPF-UHFFFAOYSA-N 319.368 1.987 0 40 DDAB Cc1c(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1C 13297530 JMFDRMRAMAAHCU-JTQLQIEISA-N 312.329 1.883 0 40 DDAB CCN(C)CCNC(=O)C1(c2ccc(F)cc2)CCOCC1 65403864 UOWABOQBLCDWGR-UHFFFAOYSA-N 308.397 1.942 0 40 DDAB CC[C@@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccccc1 65609951 BCRXENWULZMJMA-OAHLLOKOSA-N 324.446 1.707 0 40 DDAB Cc1cccc(OC[C@H](O)Cn2nnc3ccccc3c2=O)c1 14233934 GXYKQXKLPJDHJG-CYBMUJFWSA-N 311.341 1.540 0 40 DDAB CN1CC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O 14246793 NSJBXEAILVVCDT-CYBMUJFWSA-N 314.341 1.474 0 40 DDAB COCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408707700 CIHBHNQEAJFVOT-UHFFFAOYSA-N 308.378 1.813 0 40 DDAB O=C(COc1cccc(-n2cnnn2)c1)N1CCCCCC1 5673275 MHWXSZMLNOBQFZ-UHFFFAOYSA-N 301.350 1.444 0 40 DDAB COC(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 5950397 HQLLJHQBRRHWLM-NSHDSACASA-N 314.382 1.455 0 40 DDAB C[C@@H]1CCCN(C(=O)NCC(=O)N(C)CCc2ccccn2)C1 67468899 MJRGKCWSWDPFEW-CQSZACIVSA-N 318.421 1.524 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 71871155 CFPBOUSYKNWGNZ-LLVKDONJSA-N 316.323 1.844 0 40 DDAB Cc1cccc(-c2nc(CNC[C@H]3CCc4nncn4C3)no2)c1 71877618 NLDPTNBKXCTUJZ-CYBMUJFWSA-N 324.388 1.989 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2ccc(SC)c(OC)c2)C1=O 68775509 HFTLITPFIIFLDF-HNNXBMFYSA-N 324.402 1.874 0 40 DDAB CN1C[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)CC1=O 83877420 SKTITALDMNIZBS-MRVPVSSYSA-N 322.308 1.214 0 40 DDAB CNC(=O)COc1ccccc1CN[C@H](C)[C@H](C)n1cccn1 69372425 VWVQGXOJNIILAT-KGLIPLIRSA-N 316.405 1.747 0 40 DDAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 70173652 JVWIRUPHBUEESQ-BDAKNGLRSA-N 322.352 1.852 0 40 DDAB CCN1C[C@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2OC)CC1=O 69487866 ZMCIRFMRMCTISP-BNOWGMLFSA-N 302.374 1.536 0 40 DDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2cccs2)CC1 69570977 BDBRTARUCZVWCG-UHFFFAOYSA-N 315.398 1.670 0 40 DDAB CN(C)CCn1nnnc1SCc1nnsc1Cl 69530886 NOKPDMDDYWGYDS-UHFFFAOYSA-N 305.820 1.032 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 69531698 NDGKPSUVTGIKSA-HZMBPMFUSA-N 307.346 1.775 0 40 DDAB COc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)cn1 83962605 ZACNZBKINPKVNQ-UHFFFAOYSA-N 300.314 1.761 0 40 DDAB Cc1cc(C)n(Cc2nc(CC(=O)Nc3ccccn3)no2)n1 69743227 FFVWFFMUTXQSQJ-UHFFFAOYSA-N 312.333 1.507 0 40 DDAB OCC[C@@H]1COCCN1Cc1nc(-c2ccc(Cl)cc2)no1 95446813 QFWRHDHOMVTBGM-CYBMUJFWSA-N 323.780 1.973 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCn2c(nnc2C(C)C)C1 69979332 UYSSKCITEDTGFS-UHFFFAOYSA-N 317.397 1.196 0 40 DDAB COC[C@H](C)NC(=O)CN1c2ccccc2N(C)CC[C@@H]1C 95412427 MPXXQNDQPAGJTI-KBPBESRZSA-N 305.422 1.873 0 40 DDAB Cc1ccc(CN(C2CC2)S(=O)(=O)N2CCOC[C@@H]2C)cc1 95402854 SVAZGIZYDGUKOQ-AWEZNQCLSA-N 324.446 1.925 0 40 DDAB O=C(CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1ccc(Cl)cc1 70804753 HKPLDYGPFPZQOJ-UPJWGTAASA-N 308.765 1.962 0 40 DDAB O=C(COC(=O)c1ccncc1)Nc1cccc2nsnc12 19078176 GRHNNWJQBLUBSF-UHFFFAOYSA-N 314.326 1.882 0 40 DDAB C[C@@H]1CC(NCCS(=O)(=O)NCC2CCC2)C[C@@H](C)O1 97034845 IWMWDJMDAIADPJ-VXGBXAGGSA-N 304.456 1.252 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1 95940293 TVBWGTLHBMXQGD-HOJRLLLISA-N 318.417 1.813 0 40 DDAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCN3CCCC[C@H]23)c(=O)[nH]1 75117966 OGXHFVXJSKZDHJ-HUUCEWRRSA-N 318.421 1.418 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)OCC(=O)NC2CCCCC2)cn1 75136797 ORPHGXGVWVXVMH-KBPBESRZSA-N 305.378 1.516 0 40 DDAB C[C@H](O)C[C@@H](CNC(=O)N1CCC[C@@H]1CO)c1ccccc1 89894834 HMMAOSYOWRFTAC-CWRNSKLLSA-N 306.406 1.707 0 40 DDAB CO[C@@](C)(C(=O)O)C(=O)Nc1nn(Cc2ccccc2)cc1C 1548453584 HUZDGIZXTBQYNN-MRXNPFEDSA-N 317.345 1.668 0 40 DDAB CCc1nc2ccccc2n1CC(=O)N[C@H]1CCn2ccnc2C1 547659332 SQKORUDHHQIUMF-ZDUSSCGKSA-N 323.400 1.926 0 40 DDAB Cc1cc(CS(=O)(=O)N2CCCC[C@@H]2CCC(=O)O)on1 548241406 APGSKIXBOXBSFK-LLVKDONJSA-N 316.379 1.532 0 40 DDAB CCOC(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 32650660 FKBUGDHXVRUXQF-UHFFFAOYSA-N 318.381 1.259 0 40 DDAB Cc1cc(CN2CCN(c3nccc(N(C)C)n3)CC2)no1 301692882 OJYOLPZWZUNPFL-UHFFFAOYSA-N 302.382 1.161 0 40 DDAB COc1ccc(-c2cnc(Cn3cnnc3[S@](C)=O)o2)cc1 78995798 XDLXKDBQDDXVLJ-JOCHJYFZSA-N 318.358 1.727 0 40 DDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cnn(C)c1 71280495 RPGSWBMVLBBSPH-NSHDSACASA-N 317.349 1.612 0 40 DDAB O=C(NCCN1CCCCC1)C(=O)Nc1ccc2cc[nH]c2c1 31815715 BAFUQXBZUOBFED-UHFFFAOYSA-N 314.389 1.709 0 40 DDAB Cc1ccn(CCNc2cc([C@@H]3CCCNC3)nc(C)n2)n1 72365330 JJAMVWWIXNAPKC-CQSZACIVSA-N 300.410 1.869 0 40 DDAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218596117 AIFNAENWTBVKJZ-MELADBBJSA-N 301.383 1.460 0 40 DDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccs2)CC1 72239748 KSIWKPJHCICIRM-CQSZACIVSA-N 321.446 1.403 0 40 DDAB NCC1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 218035844 BFJXUQYNYILNKN-JKSUJKDBSA-N 316.426 1.530 0 40 DDAB CC(C)N(C(=O)[C@H](C)N)C1CCN(C(=O)OC(C)(C)C)CC1 79391293 VVTGZCXXFNCBSG-LBPRGKRZSA-N 313.442 1.970 0 40 DDAB C[C@H](C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)n1cccn1 75563756 ZNVVPEBLLFOYHM-GHMZBOCLSA-N 319.390 1.530 0 40 DDAB Cc1cc(=O)c(O)c(CN2CCCN(c3ncccn3)CC2)o1 71282236 KGSVPSJOSUJPEZ-UHFFFAOYSA-N 316.361 1.156 0 40 DDAB CC(C)COC(=O)N1CCC(N[C@@H]2CCCn3ncnc32)CC1 195551336 FTPFOVIJYCZAJV-CQSZACIVSA-N 321.425 1.960 0 40 DDAB COC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O 225508777 ZLOYZNUVMVDLNR-ZRJCITRHSA-N 319.323 1.552 0 40 DDAB biogenic,in-vitro CNC(=O)c1cccnc1N(C)C[C@@H](O)c1ccc(F)cc1 96429414 AJMGMJHRLIIYOB-CQSZACIVSA-N 303.337 1.750 0 40 DDAB O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCCN1c1ccccc1 96406596 AYLMPEOFGXOYEK-HNNXBMFYSA-N 322.430 1.303 0 40 DDAB Cc1nncn1CCNC(=O)[C@H](C)N1CCc2ccccc2C1 96445322 HADQPQDHTLTDTR-ZDUSSCGKSA-N 313.405 1.150 0 40 DDAB c1cncc(N2CCOCC3(CCN([C@@H]4CCOC4)CC3)C2)c1 96239971 AYZQYSRWEYAURM-QGZVFWFLSA-N 317.433 1.789 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3cccnc3)C(=O)[C@H]2C1 96080667 NNVZQJVDVTXIOV-KGLIPLIRSA-N 310.357 1.140 0 40 DDAB CCc1c(Cl)nc(C)nc1N(C)C[C@H]1CCS(=O)(=O)C1 96429557 YQRCJDAZPIYSJQ-SNVBAGLBSA-N 317.842 1.872 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)NCc1nccc(C(F)(F)F)n1 334128820 RTDMLRISHNOVFD-DTWKUNHWSA-N 318.299 1.814 0 40 DDAB O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccc[nH]3)C[C@@H]2C1 96081009 BREHVUFNTBEYKY-CALCHBBNSA-N 324.428 1.933 0 40 DDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 96220122 IEQVLKGVZWGWKM-HZPDHXFCSA-N 324.446 1.359 0 40 DDAB Cn1ncnc1CNC(=O)NC[C@H]1SCCc2ccccc21 96455153 XSABRUWYTKSHAD-CYBMUJFWSA-N 317.418 1.645 0 40 DDAB C[C@]12CC(=O)[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 257345772 IQWPIVUYONOUOY-CZZBHEHDSA-N 322.445 1.901 0 40 DDAB Cn1nc(-c2cnccn2)cc1CNC(=O)/C=C/c1ccco1 253471632 DTIKPCFKBPHZFE-SNAWJCMRSA-N 309.329 1.800 0 40 DDAB O=C(CCc1cccnc1)N1CC[C@@](O)(CN2CCCC2)C1 257232170 GJRZPXNLYXZPEY-QGZVFWFLSA-N 303.406 1.073 0 40 DDAB CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H](C)O[C@H](C)C1 252581793 MIMDPZJKBBQEGW-ANGRUJQMSA-N 316.467 1.885 0 40 DDAB Cc1ccc2nc(CN3CCCC[C@H]3CCN)cc(=O)n2c1 262019994 XNBNRYIKMFIEEP-HNNXBMFYSA-N 300.406 1.706 0 40 DDAB CN1CCO[C@@H](CN(CC2CC2)C(=O)Cc2ccccc2O)C1 276411950 KYCZOGMYTIAMOQ-MRXNPFEDSA-N 318.417 1.504 0 40 DDAB CCC1(CC)CN(C(=O)CCS(=O)(=O)N(C)C)CCS1 390834161 TVJUUBGQQSGOQS-UHFFFAOYSA-N 322.496 1.402 0 40 DDAB CC(=O)N1C[C@H](CC(=O)NC2(c3ccc(F)cc3)CC2)[C@@H](O)C1 585281395 XABAGTFKXRTCFP-WFASDCNBSA-N 320.364 1.160 0 40 DDAB Cc1ccccc1CCC(=O)N1CC2(C[C@@H](CO)CN2C)C1 585093853 JTDVMHZZDMNVDA-OAHLLOKOSA-N 302.418 1.453 0 40 DDAB O=C(CCn1ccnc1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585275938 GUSBSARGKHESPG-IRXDYDNUSA-N 313.401 1.868 0 40 DDAB CCCCC(=O)N1Cc2cncn2[C@H](C(=O)NCC2CC2)C1 585095868 RCJCYEIZFVBUBV-AWEZNQCLSA-N 304.394 1.483 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 28326656 NODCWAOJWSYJKS-JQWIXIFHSA-N 313.375 1.304 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2Cn2nc(C)nc2C)n1 71186405 IFDGDNSIJYPUPW-CYBMUJFWSA-N 320.397 1.131 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC1 33002059 QMDQGENGJFGQQA-NSHDSACASA-N 302.421 1.330 0 40 DDAB CC(C)(C)n1ncc(/C(O)=N/S(C)(=O)=O)c1C(F)(F)F 48486805 ZENMFXFKMNPWDT-UHFFFAOYSA-N 313.301 1.921 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1ccc(C(F)(F)F)nc1 40489878 AMHGNFWPIOJHJO-UHFFFAOYSA-N 311.267 1.568 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)Nc1cnn(C)c1 56915580 XMKIEHFIGKCBKI-UHFFFAOYSA-N 324.344 1.055 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1C 89781950 VYRXOWNHFZNCHE-CYBMUJFWSA-N 313.423 1.319 0 40 DDAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H](C)N1CCSCC1 95445476 BYUWBEHWLUSKJR-JHJVBQTASA-N 312.435 1.645 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)c(Cl)c1 92181607 NJAXTKUXSNTPJT-UWVGGRQHSA-N 315.778 1.956 0 40 DDAB COc1cccc(N(CN2C(=O)CC[C@H]2C(=O)O)C(C)=O)c1 5602029 ZMSCSTHTZZNNLP-ZDUSSCGKSA-N 306.318 1.081 0 40 DDAB N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1nonc1N 5633284 FUZYOBRTEMOXEE-UJIJHOJUSA-N 305.294 1.847 0 40 DDAB Cc1cc2c(o1)c1cnn(CC(=O)N3CCCC3)c(=O)c1n2C 12131813 ROSLTNMEIUATEY-UHFFFAOYSA-N 314.345 1.412 0 40 DDAB CCn1ccnc1N1CCN(C(=O)c2cccc(OC)c2)CC1 13693641 FHPHWOPQRUALDK-UHFFFAOYSA-N 314.389 1.874 0 40 DDAB COc1ccc(-n2c(C)nnc2SCC(=O)NC2CC2)cc1 15936160 ASCMTMPARBPSRA-UHFFFAOYSA-N 318.402 1.955 0 40 DDAB CCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O 18084071 BPRKMSWQGRRROF-UHFFFAOYSA-N 309.347 1.039 0 40 DDAB CC(=O)c1c[nH]c(C(=O)OCc2nnnn2-c2ccccc2)c1 18610673 YLERDHBVNMLARR-UHFFFAOYSA-N 311.301 1.550 0 40 DDAB CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)Cc1nnc(N)s1 19712493 MMSZCKYIPLMUKM-WDEREUQCSA-N 309.439 1.138 0 40 DDAB COCCNC(=O)COC(=O)c1cc(C)nc2ccccc12 3600133 XEDDHUXRILIUEZ-UHFFFAOYSA-N 302.330 1.463 0 40 DDAB O=C(CSc1nnc(-c2cccs2)o1)N1CCNC1=O 6462753 IRLZUDDARFZJRT-UHFFFAOYSA-N 310.360 1.442 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 1888854274 UEMLELPISYVKDJ-GFCCVEGCSA-N 324.446 1.831 0 40 DDAB COc1cnc(OC2CCN(CCn3cc(C)cn3)CC2)nc1 1889098415 IVKCLRUAXAMKOC-UHFFFAOYSA-N 317.393 1.534 0 40 DDAB COCCCNC(=S)N1CCN(Cc2ccccc2)CC1 20097950 POPHZSAIOQLOFC-UHFFFAOYSA-N 307.463 1.715 0 40 DDAB Cc1cncc(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037981213 ZSGKIHAAGLHUBH-SFHVURJKSA-N 317.433 1.849 0 40 DDAB CCN1CCN(C(=O)c2c(Br)cnn2CC)CC1 55009889 NDJUMYIDOGZHTH-UHFFFAOYSA-N 315.215 1.443 0 40 DDAB CC(C)CN1C[C@@H]2CN(C(=O)CCc3ccc[nH]3)C[C@@H]2C1=O 1565553849 LLWSQYYGGFJQDP-ZFWWWQNUSA-N 303.406 1.520 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccccc2F)C1 2055772927 YDPHXVPZZVPBDO-QGZVFWFLSA-N 316.380 1.760 0 40 DDAB CN1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@]2(CCCC(=O)N2)C1 2055812487 WDXJCOOEPJHCRX-MPGHIAIKSA-N 321.465 1.626 0 40 DDAB Cn1cc(-c2ccc(CNC(=O)NC[C@H]3CCCO3)cn2)cn1 575617580 XJDOQOJBRALLTO-CQSZACIVSA-N 315.377 1.460 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N(CCO)c1ccccc1 585149826 QQEPLYIPIDXWNR-KGLIPLIRSA-N 304.390 1.420 0 40 DDAB CCOC(=O)[C@@](O)(C1C(=O)CC(C)(C)CC1=O)C(F)(F)F 100642211 IBSXGAROORABTI-LBPRGKRZSA-N 310.268 1.417 0 40 DDAB COc1cccc(C[C@@H](C(=O)NCC2CC2)n2nnnc2C)c1 40540726 GKMWFDZYTHYHPJ-HNNXBMFYSA-N 315.377 1.300 0 40 DDAB CCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(C)cc2)C1=O 51373562 MEAAZFOJRDTLPD-CXAGYDPISA-N 320.389 1.845 0 40 DDAB COc1ccc2c(ccn2CC(=O)N2CCC[C@H]2C(N)=O)c1 20760886 MSDQHFWHSXRSCO-AWEZNQCLSA-N 301.346 1.126 0 40 DDAB biogenic O=C(O)c1cccc(NC(=S)NC(=O)c2ccncc2)c1 377285 PHUJCYZJUPLSHN-UHFFFAOYSA-N 301.327 1.907 0 40 DDAB O=C(O)CCCNC(=O)CCNC(=O)c1ccc(Cl)cc1 41156137 DUVIWELKRRJJEH-UHFFFAOYSA-N 312.753 1.441 0 40 DDAB C[C@H](C(=O)N1CCCC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 21916628 HGNNHGKKUAMHRX-GFCCVEGCSA-N 314.389 1.366 0 40 DDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 103507423 OPRSZJKNTQGUSE-SWRCXYFJSA-N 311.341 1.937 0 40 DDAB O=C1O[C@@H](C(=O)NCc2cn3ccccc3n2)Cc2ccccc21 22699238 GDMITBVUFAUSIV-OAHLLOKOSA-N 321.336 1.732 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 104160225 RWPVQSRVLOJGAJ-JSGCOSHPSA-N 324.384 1.749 0 40 DDAB CC(C)c1csc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 72297243 VSBODNHBEVKKPS-LLVKDONJSA-N 320.422 1.659 0 40 DDAB Cn1nncc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 92965222 FBRHSZSWLMUDNW-UHFFFAOYSA-N 317.368 1.805 0 40 DDAB CN(C)c1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 78026223 YSBWMXOAHLSQLO-CYBMUJFWSA-N 302.296 1.892 0 40 DDAB CN(Cc1csc(Br)c1)C(=O)[C@H]1C[C@H](O)CN1 42364325 BFAKAEJRTSYHLV-DTWKUNHWSA-N 319.224 1.192 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)Cn1ccc(C(F)(F)F)n1 42368483 SVTLVMDTGHYSPK-UHFFFAOYSA-N 320.315 1.275 0 40 DDAB COCc1ccccc1CNC(=O)N1CCCN(C(C)=O)CC1 79225988 TZZHDQNFJMECOH-UHFFFAOYSA-N 319.405 1.597 0 40 DDAB O=S(=O)(C[C@H](O)c1ccccc1)C[C@H](O)c1ccccc1 1737021 LCYLPHIZRTWPLF-HOTGVXAUSA-N 306.383 1.868 0 40 DDAB COCC(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 1904117 KOADLIQOPCHEFZ-UHFFFAOYSA-N 319.313 1.103 0 40 DDAB Cn1c(=O)cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O 4033788 KRFNDOVBRLIXCL-UHFFFAOYSA-N 320.780 1.054 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 54662857 MWAPJBUANLBDMU-LBPRGKRZSA-N 304.350 1.932 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)cn1 108535926 RIXDLOSKDQNECP-HOTGVXAUSA-N 316.405 1.110 0 40 DDAB Cc1nnc(NC(=O)NCc2ccc3c(c2)OCCO3)s1 43407701 UPVFEOKJZGSQSC-UHFFFAOYSA-N 306.347 1.939 0 40 DDAB O=C(c1cnccn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721019 RFIIEGARHYANJZ-KKUMJFAQSA-N 303.362 1.275 0 40 DDAB O=C(NCCOc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 56009028 ZINSMBHQMVKTKO-CQSZACIVSA-N 323.414 1.105 0 40 DDAB Cc1ccc([C@H](C)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)o1 108112919 DJVPENFYRUMLHS-JYJNAYRXSA-N 308.422 1.976 0 40 DDAB Cc1cccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 26886372 LZHCQMWPWIVRJB-AWEZNQCLSA-N 310.419 1.425 0 40 DDAB CCCO[C@H]1CCCN(C(=O)N[C@@H](C)Cn2cncn2)CC1 108569553 KNKACSBJUNVCME-KBPBESRZSA-N 309.414 1.657 0 40 DDAB O=C(NC1CCC(O)CC1)c1ccc(CN2CCCC2=O)cc1 9515610 VXKNHKOZJMLZBL-UHFFFAOYSA-N 316.401 1.842 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(O)nn1 27496618 OVDAHIWBCPHVCI-CYBMUJFWSA-N 316.361 1.732 0 40 DDAB CC(=O)N[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 48275741 TZIOXVLEBYAUPF-LBPRGKRZSA-N 306.391 1.899 0 40 DDAB CN(C)c1cc(C(=O)N2CCN(c3nccs3)CC2)ccn1 44917821 HDSCCFDBJLSOPX-UHFFFAOYSA-N 317.418 1.567 0 40 DDAB COc1cccc2c1N(C(=O)C1=NN(C)C(=O)CC1)CCC2 44915029 OZPVYKKUHHQOEK-UHFFFAOYSA-N 301.346 1.583 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)no1 3320793 VZRQXWDCPLQAMN-HNNXBMFYSA-N 322.365 1.668 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]23C[C@H]4CC[C@@]2(C(=O)[C@H]1O3)C4(C)C 102919387 NEDQAWRPFLOHDN-XBCHJWBWSA-N 320.341 1.176 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccco3)CC2)C1 108532287 DADHAAVPJJDXGO-UHFFFAOYSA-N 312.391 1.214 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 45524273 PMGVUFVAQKWCBK-YNEHKIRRSA-N 306.362 1.264 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 28843187 QXRHDMDQCHJKIW-MWLCHTKSSA-N 315.295 1.670 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 11560648 VQAGCOJOIOBGFF-CHWSQXEVSA-N 300.362 1.576 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c1C 12852647 LZOLKEQFDZKAGD-LLVKDONJSA-N 317.345 1.996 0 40 DDAB CCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@@H](C)C2 20801796 VWOYUFVBFAKFMJ-LBPRGKRZSA-N 317.437 1.815 0 40 DDAB O=C(O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 37328028 FGOCPFKNBYZDTF-SECBINFHSA-N 319.404 1.372 0 40 DDAB in-vitro CC(=O)N1CCN(Cc2nnc(Cc3ccccc3)o2)CC1 62651778 NBZLBZBKFRBAJX-UHFFFAOYSA-N 300.362 1.325 0 40 DDAB COc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2C)c(OC)c1OC 62715982 NGSHHQFBVBUOOQ-CABZTGNLSA-N 309.318 1.316 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326686 MEXBNLHYLRUZHM-UWVGGRQHSA-N 302.334 1.654 0 40 DDAB Cc1cccc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 49373055 ITAMSRKQRFNNAD-NWDGAFQWSA-N 313.444 1.779 0 40 DDAB Cc1cc(C)c(NC(=O)CSc2nncc(=O)[nH]2)c(C)c1 4248956 NQEATSUKTPILSM-UHFFFAOYSA-N 304.375 1.821 0 40 DDAB CSCC[C@@H](NC(=O)c1cccnc1SC)C(=O)O 4284541 HSEYYGFJBLWFGD-SECBINFHSA-N 300.405 1.740 0 40 DDAB CCN(CCO)c1nc(NC2CCCCC2)c2cnn(C)c2n1 4374933 YXAMQAKTKNMHKB-UHFFFAOYSA-N 318.425 1.927 0 40 DDAB Cc1cc(=O)[nH]c(C)c1C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 72312566 ONMHVJCXYXMEFU-GXFFZTMASA-N 320.389 1.843 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(F)cc1 6586135 KDFZRGSHIWHOMK-UHFFFAOYSA-N 301.321 1.900 0 40 DDAB CC(C)c1ccc(NC(=O)COCC(=O)NCCN(C)C)cc1 4700343 OANNWLBPIRFWDD-UHFFFAOYSA-N 321.421 1.443 0 40 DDAB CC(C)OC(=O)C[C@H](NC(=O)CC(=O)N(C)C)c1ccccc1 72301443 FBHJJHVLCRGIRF-AWEZNQCLSA-N 320.389 1.664 0 40 DDAB CCNC(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 7084288 GUDOMVKOTVOBKQ-SNVBAGLBSA-N 310.350 1.490 0 40 DDAB COc1ccccc1CCNC(=O)CN1CCn2ccnc2C1 97201490 MAFSJMLYKURBIN-UHFFFAOYSA-N 314.389 1.066 0 40 DDAB CCOC(=O)CCCCN1CCc2ccccc2[C@@H]1C(N)=O 96417422 JHDHNKQUCRSYSB-MRXNPFEDSA-N 304.390 1.805 0 40 DDAB C[C@@H](C(=O)Nc1ncccc1Br)S(C)(=O)=O 96427059 FNTYEXKBHPIDIJ-LURJTMIESA-N 307.169 1.216 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 7777816 CVKKFMZDVLYMMM-LLVKDONJSA-N 303.362 1.820 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nonc2C)cc1 96443117 RYJOPXURWKUMQN-CYBMUJFWSA-N 314.345 1.816 0 40 DDAB Cn1c(COc2cccc3c2CCC[C@@H]3O)cc(=O)n(C)c1=O 69157753 HIDFJDGOPRFQMR-AWEZNQCLSA-N 316.357 1.033 0 40 DDAB CS[C@@H](CNC(=O)c1n[nH]c(=O)[nH]1)c1cccc(Cl)c1 71898172 XUIPBYUAIRWKLS-VIFPVBQESA-N 312.782 1.586 0 40 DDAB Cc1cccc(NC(=O)C(=O)N(C)Cc2nccn2C)c1C 119761599 PCUFVBWRPXUKMB-UHFFFAOYSA-N 300.362 1.634 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COCCOc1ccccc1 71829570 XCCWUTBDHTUCAO-ZIAGYGMSSA-N 320.389 1.194 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H]2Cn2cccn2)cs1 71866491 WDDKYFUTDQZLMU-LLVKDONJSA-N 319.390 1.603 0 40 DDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 69595463 VVBCOOYFADWNNW-LBPRGKRZSA-N 321.402 1.264 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 83829943 IEPSDBFOPLGRSV-NSHDSACASA-N 321.406 1.275 0 40 DDAB O=C(NCCN1CCOCC1)N[C@H](c1ccc(F)cc1)C1CC1 69808593 FVSCDLLWTGKFPZ-INIZCTEOSA-N 321.396 1.908 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cc(C)nc2ncnn12 69982024 ZYLKNHVUUZONNY-UONOGXRCSA-N 314.393 1.412 0 40 DDAB c1ccc(-n2nnnc2CN2CCC[C@@H]2Cn2cccn2)cc1 69951915 LZDLFWIDLLPZEI-OAHLLOKOSA-N 309.377 1.523 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)n1 69948847 WQKRKQXQYYGBOM-ZIAGYGMSSA-N 322.409 1.234 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408591710 JDKMKSOSWCNSQF-NSHDSACASA-N 314.407 1.230 0 40 DDAB Cc1nc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)oc1C 84061396 JJRDEHMGZMPYKB-OAHLLOKOSA-N 306.366 1.196 0 40 DDAB O=C(NCCOc1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 72274019 RGTSLOJGOUMVQF-GDBMZVCRSA-N 319.405 1.228 0 40 DDAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cn2cnnn2)cc1 98014105 XGWHDXYSLIUXDG-GOEBONIOSA-N 315.377 1.266 0 40 DDAB Cc1ccc(Br)cc1NC(=O)NC[C@H](O)CO 95977178 SPVVIJVBXHPOGM-VIFPVBQESA-N 303.156 1.232 0 40 DDAB Cc1nc(CN2CCC(C(=O)Nc3ncccn3)CC2)oc1C 95954913 GONBFZACVRYOIY-UHFFFAOYSA-N 315.377 1.932 0 40 DDAB O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1)C1CC1 95958408 XNIVYGGFHPQCPM-UHFFFAOYSA-N 314.389 1.489 0 40 DDAB COc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)nn1 89319419 KYQKNYIKCKTVFG-UHFFFAOYSA-N 318.352 1.616 0 40 DDAB COCCS(=O)(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 74972799 GJSXGPIWNMKWQD-LBPRGKRZSA-N 309.391 1.499 0 40 DDAB CC(C)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc2N1 75092651 ZXJXRLVWLCHXOR-CQSZACIVSA-N 312.373 1.877 0 40 DDAB Cc1noc([C@H](C)N2CCO[C@@H](Cn3nc(C)nc3C)C2)n1 75132139 MJALUOBNIRGCQS-TVQRCGJNSA-N 306.370 1.048 0 40 DDAB CSc1ccsc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 89939171 YMNQRWNUEVCRRV-WDEREUQCSA-N 314.476 1.997 0 40 DDAB CN(C)CCN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 22791890 WLZUUFZEMRLOHE-LBPRGKRZSA-N 313.785 1.273 0 40 DDAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2n[nH]c(C)c2C)C3)n1 1550528131 PZGXAQYZUXKHAX-BLLLJJGKSA-N 315.377 1.912 0 40 DDAB NNc1nc(NN)nc(N(c2ccccc2)c2ccccc2)n1 363259 VOIWUFJRFZOGPU-UHFFFAOYSA-N 308.349 1.913 0 40 DDAB biogenic CC(=O)NC[C@@H]1CCN(c2cc(C)nc(-c3ccccn3)n2)C1 521398447 HIWVLUDDFWPMPR-AWEZNQCLSA-N 311.389 1.809 0 40 DDAB COCCNC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38554794 FTFWCLMCVDMJRN-UHFFFAOYSA-N 303.366 1.041 0 40 DDAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)c(C)cc1OC 38191083 UVETYJYXDUOSPU-LLVKDONJSA-N 302.334 1.578 0 40 DDAB O=C(COc1ccc2ccccc2c1)NCCn1ncccc1=O 38510158 BJUSCVXOGKRNGJ-UHFFFAOYSA-N 323.352 1.592 0 40 DDAB CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1sccc1C 562295097 IEJRFMIOYBIKOG-NXEZZACHSA-N 303.405 1.930 0 40 DDAB O=C(CCc1cc(Cl)no1)N[C@@H](CO)Cc1ccccc1 504629771 XEFWCMIPHAMGMB-GFCCVEGCSA-N 308.765 1.980 0 40 DDAB CCn1nc(C)c(S(=O)(=O)NCCCn2ccnc2)c1C 72239113 LQYGICFZWNMDIS-UHFFFAOYSA-N 311.411 1.085 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC[C@H](O)c1ccco1 77111562 HLVJIGGMOWNUKD-JTQLQIEISA-N 300.336 1.286 0 40 DDAB Cc1cc(CNS(=O)(=O)c2ccccc2F)nc(N(C)C)n1 188284775 BDMLKJLEOKKEEY-UHFFFAOYSA-N 324.381 1.469 0 40 DDAB Cn1cnc2c1CCN(CC(=O)N1CCCc3ccccc31)C2 69810570 YRTSUVQVIQEPDF-UHFFFAOYSA-N 310.401 1.758 0 40 DDAB C[C@H](Cn1cccn1)NCc1csc(CC(=O)N(C)C)n1 69870909 WEZBVBVHERVVSP-LLVKDONJSA-N 307.423 1.149 0 40 DDAB COc1cccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)n1 225386741 SOWCMTFYBRTTNU-HNNXBMFYSA-N 303.406 1.971 0 40 DDAB Cc1cc(Br)ccc1C(=O)NCCC(=O)N(C)C 49097802 APWHIERUYXFHHD-UHFFFAOYSA-N 313.195 1.966 0 40 DDAB COC(=O)[C@@H]1C[C@H](N2CCC(c3nc(C)cs3)CC2)[C@H](O)C1 195535718 NUULIFSCPNKZOH-HZSPNIEDSA-N 324.446 1.943 0 40 DDAB CN(C)C(=O)[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1 226081122 LPRFHWWALHVFDC-ZDUSSCGKSA-N 303.366 1.048 0 40 DDAB Cn1c(SCc2cc(Cl)c3c(c2)OCCO3)n[nH]c1=O 48441549 SSDSFQIPROJSJK-UHFFFAOYSA-N 313.766 1.825 0 40 DDAB CCS(=O)(=O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 96456144 BVQHGEOPUDOUQI-OKILXGFUSA-N 318.483 1.547 0 40 DDAB Cn1nccc1CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 96426198 JLMBCJFNDPWTAM-KGLIPLIRSA-N 313.357 1.611 0 40 DDAB CC(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245322 MCMXSZVVJRECEU-HIFRSBDPSA-N 304.365 1.899 0 40 DDAB CC(=O)N(C)Cc1nn(C)c2c1CN(Cc1ccsc1)C2 96259089 GSABPSMKEAODPN-UHFFFAOYSA-N 304.419 1.976 0 40 DDAB O=C(CN(C[C@H](O)c1ccccc1)C1CC1)NC[C@@H]1CCCO1 96410582 AJRDPFYXIMIAIT-IRXDYDNUSA-N 318.417 1.480 0 40 DDAB Cc1nc(CN(C)Cn2nc(C)c3c(C)onc3c2=O)cs1 96403281 WVWDFTIUCHKXIM-UHFFFAOYSA-N 319.390 1.856 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccoc3)C[C@@H]2C1 96053925 VFUHWXOBTZSLBS-BETUJISGSA-N 303.387 1.940 0 40 DDAB COC[C@@H]1CN(CC2CCOCC2)Cc2nnn(CC3CC3)c21 96060900 UBFOADKTNBYVRW-HNNXBMFYSA-N 320.437 1.660 0 40 DDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 96053910 GGZUVOYNFWZLPB-KBPBESRZSA-N 324.421 1.682 0 40 DDAB Cn1nnnc1COc1ccc(C(=O)N2CCCCCC2)cc1 96101321 FCGOPCCLEFEGHM-UHFFFAOYSA-N 315.377 1.805 0 40 DDAB CC(C)CNC(=O)c1cc2c(s1)CCN2S(C)(=O)=O 96264583 HIMUCYRFVLZJGP-UHFFFAOYSA-N 302.421 1.456 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-n2cccn2)n1 96449506 QLALEPJAFGHQCM-NVXWUHKLSA-N 320.352 1.655 0 40 DDAB CC(C)(C)S(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)n[nH]1 96489868 KJUQTZHIQKYVFJ-UHFFFAOYSA-N 313.301 1.580 0 40 DDAB COc1cc(CC2CN(C(=O)c3nccn3C)C2)cc(OC)c1 96454107 NSDRFIKNQUBKFQ-UHFFFAOYSA-N 315.373 1.752 0 40 DDAB O=C(N[C@@H]1CCC12CCN(c1ncccn1)CC2)c1cnccn1 96051505 LEWFLRGHTKLWCG-CQSZACIVSA-N 324.388 1.446 0 40 DDAB CN(C)C(=O)CN1C[C@H]2CCCN(Cc3ccsc3)[C@H]2C1 96081530 GZCYBJPVEKYDKB-CABCVRRESA-N 307.463 1.733 0 40 DDAB CCc1nncn1CCNC(=O)Nc1ccc(OC)c(C)c1 96434225 SSNQWISZQYGQSO-UHFFFAOYSA-N 303.366 1.979 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1Cc1ccccn1 96201277 VTHPOEHQAZEIGU-ZDUSSCGKSA-N 309.377 1.495 0 40 DDAB C[C@@H]1CN(C(=O)[C@H]2CCCN(c3cnccn3)C2)[C@H](C)CO1 245225533 XLOJWGVWSFFAIW-MCIONIFRSA-N 304.394 1.329 0 40 DDAB CC[C@]1(C)CN(CC(O)CN2CCO[C@](C)(CC)C2)CCO1 248733520 LZWGZZUYXHFHSR-IAGOWNOFSA-N 314.470 1.349 0 40 DDAB C[C@@H]1CC[C@@H](Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H]1C 253369754 HUDZUIDOBRFBPG-RBSFLKMASA-N 320.437 1.979 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)NCc2cccc(Cl)c2)C1 257318284 VNFYUYKNQBZFIY-HNNXBMFYSA-N 310.781 1.594 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1c1nc(C(F)(F)F)cs1 252537071 KFLNGZPLDZTEGU-RNFRBKRXSA-N 310.297 1.929 0 40 DDAB Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)o1 252507944 WXUGWGRDOKGMOG-ZYHUDNBSSA-N 314.407 1.786 0 40 DDAB O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@H](O)[C@]2(CCCO2)C1 257244436 ILHHRJJWLOMMBZ-HOCLYGCPSA-N 304.321 1.673 0 40 DDAB O=C(Nc1ncccn1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253397433 FQRFFSPDMVIAAL-SNVBAGLBSA-N 320.736 1.945 0 40 DDAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C 257210156 BTKZILKZKCXVIJ-WCVJEAGWSA-N 306.406 1.270 0 40 DDAB NCCc1ccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1 257297006 RFJDUDGODVCGSG-INIZCTEOSA-N 318.417 1.334 0 40 DDAB CCOc1nc(C)ccc1C(=O)N1CCOC[C@]12CCOC2 282187186 RVDDHBIZMQYBDD-MRXNPFEDSA-N 306.362 1.420 0 40 DDAB O=C(N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1)C1(F)CCC1 575406533 YKUDUYBLZFOGGE-LBPRGKRZSA-N 321.352 1.508 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1cc(C(=O)O)nn1 575414966 CWVMZQOQDKNVAW-SNVBAGLBSA-N 310.354 1.766 0 40 DDAB CO[C@H]1CCOC2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 575404813 PNJBDDRDAOJIGL-ZFWWWQNUSA-N 303.358 1.397 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccc4ncccc4c3)[C@H]2C1 575425818 XIGCKBIELYPMRZ-STQMWFEESA-N 319.411 1.095 0 40 DDAB O=C(/C=C/c1ccc(Cl)cc1)NCCN1C(=O)COC1=O 575617516 WIDUUSPZTGZTSW-ZZXKWVIFSA-N 308.721 1.448 0 40 DDAB O=C(c1cnco1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585276157 MMDPTOWYQFNSGY-MRXNPFEDSA-N 320.320 1.260 0 40 DDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccccc2)[C@H]2CO[C@@H]1O2 952844689 GIRQVUCLLJRTOC-OVYGPGRDSA-N 315.373 1.007 0 40 DDAB biogenic,in-vitro C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(C(=O)O)cc1 35252765 POGSEJALRIZFNH-SNVBAGLBSA-N 309.343 1.887 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)Nc3cn[nH]c3)CC2=O)c(F)c1 40512193 RYFQGWWFLRDQLO-SNVBAGLBSA-N 302.309 1.849 0 40 DDAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@H](O)Cc1ccccc1 89522760 SIFZSKGKUHIDMH-BLLLJJGKSA-N 315.417 1.925 0 40 DDAB CCn1cc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1 97379668 ARNZFYFTLKHCNW-UHFFFAOYSA-N 310.361 1.661 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@@H](C)c2nnc3n2CCCCC3)n1 42496951 LDVXIKZPYWMIDK-ZDUSSCGKSA-N 316.409 1.695 0 40 DDAB O=C([C@H]1COCCO1)N1CCc2ccc(Br)cc21 78998246 KWQHORMRRHPRFS-GFCCVEGCSA-N 312.163 1.754 0 40 DDAB CCOC(=O)C/C(=C/O[C@@H](C)C(=O)OCC)C(=O)OCC 4280486 VVPIGYHYRZAICA-RGAIUGGKSA-N 302.323 1.355 0 40 DDAB Brc1cnn(CC2CN(C[C@@H]3CCOC3)C2)c1 1889065082 YXCSITNQYOKUBH-JTQLQIEISA-N 300.200 1.614 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 5251074 MDMSGFHBDOQTPC-UHFFFAOYSA-N 301.749 1.486 0 40 DDAB COc1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1 13668277 RPMAFIWAVVFUIK-UHFFFAOYSA-N 300.362 1.391 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 17031167 DFIXDJRGFPYTRF-DGAVXFQQSA-N 305.330 1.190 0 40 DDAB CCn1cncc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 19578531 XVTQHCLZGXTHDS-SECBINFHSA-N 300.318 1.875 0 40 DDAB Cc1nccn1CC1CN(C(=O)c2ccc3nccnc3c2)C1 1848631809 HFEUWBBKXXUXQG-UHFFFAOYSA-N 307.357 1.907 0 40 DDAB COC(=O)[C@H](CCSC)NC(=O)c1cccnc1SC 2170077 GSUDSBHFXNANTM-JTQLQIEISA-N 314.432 1.828 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC(c3nnc(O)o3)CC2)[C@H]1C 529273139 SJRMDGGSRKUGJT-UXCLJVHYSA-N 309.366 1.541 0 40 DDAB Nc1nccnc1C(=O)Nc1ccc(OCC(F)(F)F)nc1 36395775 UMTBLFFZZYIWFN-UHFFFAOYSA-N 313.239 1.647 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](c3n[nH]cc3C)C2)CC1 1848355396 DHASFDPUIREJSV-HNNXBMFYSA-N 318.421 1.683 0 40 DDAB O=C([C@H]1CN(CCc2ccccc2)CCO1)N1CCSCC1 1888866576 SBTSJVXLXWJFDG-MRXNPFEDSA-N 320.458 1.505 0 40 DDAB Cc1oncc1CN1CCN(c2ccc(N(C)C)nn2)CC1 1889090938 OWARPSRZYPUOJD-UHFFFAOYSA-N 302.382 1.161 0 40 DDAB Cn1ccc2c(N3CC(Cn4cc(Cl)cn4)C3)ncnc21 1889136051 PIDDOOZGQMEILP-UHFFFAOYSA-N 302.769 1.955 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1 9822719 MCILLTQTUBKDPD-HNNXBMFYSA-N 316.382 1.553 0 40 DDAB CCCNC(=O)Cn1cnc(-c2ccc(OC)cc2)cc1=O 13807355 NLLHYPFQULHSHO-UHFFFAOYSA-N 301.346 1.445 0 40 DDAB CC(C)(C)c1ccc(=O)n(C2CCN(Cc3nnco3)CC2)n1 1775971990 RCRLEOGMTUSKEU-UHFFFAOYSA-N 317.393 1.761 0 40 DDAB O=S(=O)(N[C@H]1CCCN(CCC(F)(F)F)C1)C1CC1 2086861371 IJISIBMOHASRTA-VIFPVBQESA-N 300.346 1.485 0 40 DDAB Cc1nnc(N2CCC[C@@H](NS(C)(=O)=O)C2)c2ccccc12 29622237 FKXUCUXLWHHHJF-GFCCVEGCSA-N 320.418 1.456 0 40 DDAB O=c1c2ccc(F)cc2ncn1C[C@@H](O)COCc1ccco1 40477427 KJOYJKHACDOUJC-GFCCVEGCSA-N 318.304 1.706 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1Cn1cccn1 100930923 XCIBFXBPFWEKSW-CVALACBASA-N 316.409 1.015 0 40 DDAB CC(C)N(CCCNC(=O)c1cccs1)S(C)(=O)=O 40535303 DHNCGPYDBZKTEH-UHFFFAOYSA-N 304.437 1.538 0 40 DDAB NC(=O)CN1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 40555032 HOQMJTJFFVOJLB-UHFFFAOYSA-N 310.785 1.365 0 40 DDAB CCONC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 32848309 MDULLIPYFGYPHB-UHFFFAOYSA-N 312.391 1.461 0 40 DDAB O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1nc[nH]n1 52555455 LTBIILUJDLDTMB-UHFFFAOYSA-N 311.704 1.356 0 40 DDAB COc1ccc(CN2CCN(C(=O)c3csnn3)CC2)cc1 41687892 LZGLRPIMGDKZFI-UHFFFAOYSA-N 318.402 1.505 0 40 DDAB COCCN[C@@H](C(=O)OC)c1ccc(Br)cc1 53259227 BEHSYKZARMNMOT-LLVKDONJSA-N 302.168 1.899 0 40 DDAB biogenic CN(Cc1ccn(C)c(=O)c1)C[C@H]1COc2ccccc2O1 42112790 BVXKQCCMTFJHMX-AWEZNQCLSA-N 300.358 1.657 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3cscn3)C2)no1 72234564 VSWKLCAPVMMNPS-CYBMUJFWSA-N 307.423 1.931 0 40 DDAB CN1CC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)C1=O 78020868 YXNZOLJKXKPKNJ-CQSZACIVSA-N 309.373 1.670 0 40 DDAB CC(C)c1cc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)on1 78972171 SXTJHWOVVNTFJX-JTQLQIEISA-N 306.366 1.361 0 40 DDAB Cn1c(=O)c2[nH]c(SCCc3ccccc3)nc2n(C)c1=O 1708429 SFAUCTALNPXEMO-UHFFFAOYSA-N 316.386 1.295 0 40 DDAB Cc1ccc(OCC(=O)NCCCCN2CCOCC2)cc1 33749404 QXWNAMHZZBDNMO-UHFFFAOYSA-N 306.406 1.602 0 40 DDAB Cc1ccn2c(NC(=O)COc3c(C)nn(C)c3C)nnc2c1 84248040 OFDFQVCSIDZUBQ-UHFFFAOYSA-N 314.349 1.406 0 40 DDAB CNC(=O)COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 24536981 GYHOMVRNOJKGKC-UHFFFAOYSA-N 319.357 1.559 0 40 DDAB C[C@@H](NC(=O)COCC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 4681245 FRGALDXSHCSWBL-QLFDAEIZSA-N 322.449 1.812 0 40 DDAB O=C1NC[C@H](COC(=O)c2c3c(nc4ccccc24)CCC3)O1 24752970 MVVFBIHAEAQAPQ-SNVBAGLBSA-N 312.325 1.989 0 40 DDAB CCCCOCCCNC(=O)c1ccc2c(c1)OCC(=O)N2 25162415 NGXQLFRJIXAKNA-UHFFFAOYSA-N 306.362 1.954 0 40 DDAB CC(C)c1nnc(S(=O)(=O)Cc2ccn(C(C)C)n2)n1C 172141751 MYUBCGWDCWMXSC-UHFFFAOYSA-N 311.411 1.690 0 40 DDAB COc1cc(C(=S)N2CCN(C)CC2)cc(Cl)c1O 8091782 RBKZASDEQVKQAK-UHFFFAOYSA-N 300.811 1.977 0 40 DDAB C(=C/c1ccccc1)\CN1CCN(Cc2nnnn2C2CC2)CC1 44070295 VRFVTHHJWATCGU-QPJJXVBHSA-N 324.432 1.839 0 40 DDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 100907146 MWORSPXVTCBYLG-MCYUEQNJSA-N 305.717 1.711 0 40 DDAB COCC(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1 47997737 NCOAFIFFJOKPHG-UHFFFAOYSA-N 317.364 1.665 0 40 DDAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)N1CCNC1=O 9602579 BBVOKALELWHSMM-ZCFIWIBFSA-N 302.739 1.499 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)C1=COCCO1 3235564 BHNVFJOWCQIQHP-CYBMUJFWSA-N 319.357 1.555 0 40 DDAB CC[C@](C)(NC(=O)CCc1ccc2c(c1)OCO2)C(=O)OC 58201719 GZWUWIZVIDKOFY-INIZCTEOSA-N 307.346 1.806 0 40 DDAB c1csc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)c1 107745223 INOCBEHGRQXPMC-BMFZPTHFSA-N 308.447 1.812 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 62119971 YAHRVLPJFNSLGL-ZETCQYMHSA-N 307.730 1.574 0 40 DDAB O=C(NCc1ncc[nH]1)[C@@H]1CCCCN1C(=O)c1cccs1 114339566 NXPIHDOYMZQDQE-NSHDSACASA-N 318.402 1.782 0 40 DDAB O=C(Nc1nncs1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 44944910 YVJXWEYNSNMKSK-GHMZBOCLSA-N 312.395 1.730 0 40 DDAB O=C(CCNC(=O)COC1CCCCC1)NCc1ccncc1 58391413 RUHXTIHSUQWKPE-UHFFFAOYSA-N 319.405 1.553 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H](C)N(C)C 58365452 KSYCXRMQWJYGNA-VIFPVBQESA-N 305.407 1.588 0 40 DDAB CCC(=O)NCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 58393999 NZNKQZGUXGPMKT-ZDUSSCGKSA-N 323.462 1.603 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)N1 48252502 MELLCEZVPJXQQS-GJZGRUSLSA-N 318.373 1.139 0 40 DDAB CCOc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 58405673 TYSNNUHQRNFXMI-ZBFHGGJFSA-N 304.390 1.678 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 170611243 SAYJXZPKFMGAKR-MJBXVCDLSA-N 324.384 1.510 0 40 DDAB CC(=O)N1CCCN(C(=O)c2cccnc2N2CCCC2)CC1 48229955 PIABQRQNRLUPKJ-UHFFFAOYSA-N 316.405 1.376 0 40 DDAB N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 36297085 CIACPTBTFNNTEG-SECBINFHSA-N 324.324 1.697 0 40 DDAB O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cscn1 95418185 BXAJAWAKASLHRT-CQSZACIVSA-N 317.414 1.292 0 40 DDAB CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cccnc1OC)CCO2 107720583 DYGCWARKUKGLTJ-MGPQQGTHSA-N 306.362 1.499 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@@H](C)OC[C@H]3C)cnc12 45448670 VMASKRQTMWJIKF-CHWSQXEVSA-N 315.373 1.341 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCO3)cn2)C[C@@H](C)O1 48301547 FTUHXVPTEPVWLV-GUTXKFCHSA-N 319.405 1.490 0 40 DDAB COc1cccc([C@@H](NC(=O)[C@H]2CCCO2)c2nccn2C)c1 29091042 COVWOHMOWKTBHE-HUUCEWRRSA-N 315.373 1.813 0 40 DDAB Cc1ccc([C@]2(C)NC(=O)N(Cc3nc(C)no3)C2=O)cc1 29134508 PCEJNAOYWMLWSA-HNNXBMFYSA-N 300.318 1.654 0 40 DDAB Cc1cc(S(=O)(=O)NCCO)c(C)cc1Br 11566263 OZTYDVGXNHIRPU-UHFFFAOYSA-N 308.197 1.337 0 40 DDAB O=C(NCCN1CCOCC1)NCc1nc2ccccc2s1 29232952 PTDLYLQEEXYHHL-UHFFFAOYSA-N 320.418 1.428 0 40 DDAB CC(=O)Nc1nc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cs1 25145550 VMEWDCFONIIRAW-UHFFFAOYSA-N 322.321 1.592 0 40 DDAB CCO[C@@H](C)c1noc(CN[C@@](C)(C(N)=O)c2ccccc2)n1 84800629 DTJAPPGICXHKJD-MEDUHNTESA-N 318.377 1.657 0 40 DDAB O=C(O)C1=C[C@H](c2cccnc2)n2nc(C(F)(F)F)nc2N1 102335956 YRAIOEPFHYHWOM-MRVPVSSYSA-N 311.223 1.675 0 40 DDAB C[C@@H]1CC(=O)NN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 12813491 PJUZAJRHTCKEKA-SSDOTTSWSA-N 304.375 1.099 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1 72300463 BQNQCBWKOHGWGP-DZUCGIPZSA-N 315.417 1.364 0 40 DDAB CC1(C)CN(c2cc(Br)cnc2C(N)=O)CCO1 96011518 PWCKFAZLQIFULV-UHFFFAOYSA-N 314.183 1.558 0 40 DDAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)noc2N)cc1 9314083 YWGNLASGAWRDTD-SECBINFHSA-N 319.317 1.758 0 40 DDAB Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(N)=O)CCC2=O)c1 9397553 MGBJWMIBLFWVRQ-NSHDSACASA-N 317.345 1.203 0 40 DDAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCOCC2)c1C 20491374 SBHXSSSPTVLBAN-MRXNPFEDSA-N 320.433 1.909 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1F 14109422 WPVUOFWXBIZZDI-INIZCTEOSA-N 319.336 1.793 0 40 DDAB CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CCOCO1 84622399 GNJCTWZXZSRFQE-SECBINFHSA-N 301.774 1.690 0 40 DDAB CC(C)C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306123254 AIOCLKCYGPHGIB-HNNXBMFYSA-N 304.390 1.872 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O 66083065 NPTKFBABXYVGQS-INIZCTEOSA-N 315.329 1.799 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@H]2C1 6673691 FNZMJXUBTZZSMS-ZJUUUORDSA-N 320.798 1.339 0 40 DDAB CCOC(=O)Cn1cnc2nc3c(cc2c1=O)COC(C)(C)C3 9486721 PAHGWNAXKHNDON-UHFFFAOYSA-N 317.345 1.206 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccc(F)cc1 71877705 IUAQTHRGGPWZMY-JSGCOSHPSA-N 322.336 1.382 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2noc(C3CC3)n2)CC1 71836900 RMARNNQXHYTHSD-UHFFFAOYSA-N 317.393 1.870 0 40 DDAB O=C(NCC(=O)N1CCCCC1)N[C@H]1CCN(C2CCCC2)C1 71882547 NVCVJGCOBYJEOB-AWEZNQCLSA-N 322.453 1.315 0 40 DDAB Cc1cc(C)nc(NN/C=C2/C(=O)NC(=O)c3ccccc32)n1 16718758 HKXSCQZVDCBXEF-MDWZMJQESA-N 309.329 1.321 0 40 DDAB Cc1cccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c1 71900230 XHMBUYFMLUILEG-MRXNPFEDSA-N 316.401 1.387 0 40 DDAB C[C@@H](c1cccnc1)N1CCN(c2ccc3nncn3n2)[C@@H](C)C1 69458725 HADZOJCTEIWSBK-KBPBESRZSA-N 323.404 1.791 0 40 DDAB CCN1C[C@H](C(=O)N[C@H]2CCCOc3ccccc32)CC1=O 69629710 BYPMOSWTQSOBQF-OCCSQVGLSA-N 302.374 1.885 0 40 DDAB COCCNC(=O)NCCC(=O)Nc1cccc(Cl)c1C 69652830 VOUAGHPMABVZBR-UHFFFAOYSA-N 313.785 1.923 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C[C@H]2OCCc3sccc32)CC1 69706835 MSSSQWURMIWGHD-GXTWGEPZSA-N 324.446 1.277 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(C)=O)C1 69820153 LUWJMIXNZVSFMV-ZACQAIPSSA-N 321.465 1.720 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nc(Cc3ccccc3)no1)CC2 69952240 BDIBTHTVGKOKNU-CQSZACIVSA-N 324.388 1.665 0 40 DDAB CONC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 8919871 QHDLEEWLZDTMDP-UHFFFAOYSA-N 312.391 1.398 0 40 DDAB CCCCn1c(=O)[nH]c(O)c([C@@H]2OC(=O)c3ccccc32)c1=O 8971270 WKMNZEUIFUGZJT-GFCCVEGCSA-N 316.313 1.302 0 40 DDAB Cc1cccc(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 72269501 QHRQJLNSZGMUGU-ROUUACIJSA-N 316.445 1.985 0 40 DDAB CC(C)c1ncc(Cl)c(C(=O)N2CCOC[C@@H]2C(=O)O)n1 88374048 QBQGWQNOLVJMCW-SECBINFHSA-N 313.741 1.179 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)on1 95952983 GUQJJEITPCNXJV-NWDGAFQWSA-N 312.391 1.471 0 40 DDAB CCOc1cccc(CNC(=O)CN2CCN(C)C[C@@H]2C)c1 89269955 GVTJMBMEUMCMJC-AWEZNQCLSA-N 305.422 1.337 0 40 DDAB C[C@H]1CCc2c(C(=O)N[C@H]3CCC(=O)NC3=O)csc2C1 89753500 XVQALKRXPBPSNT-KWQFWETISA-N 306.387 1.408 0 40 DDAB O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CC(O)C1 89773170 KEZONHSKKOHYGA-UHFFFAOYSA-N 319.311 1.456 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)Cc2ccccc2)C1 89929821 XQTKXDJSRVJPNI-UKRRQHHQSA-N 312.435 1.156 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCC1)N[C@H](CCO)C1CC1 76021639 BCOZOKFNBZOYNB-HUUCEWRRSA-N 321.421 1.877 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 24164406 HTXHZADDJLZRGJ-CHWSQXEVSA-N 320.389 1.829 0 40 DDAB COCC(C)(C)NC(=O)CNC(=O)c1ccc(F)c(F)c1 125697315 BAOFBYQHBCGNCS-UHFFFAOYSA-N 300.305 1.236 0 40 DDAB O=C(N1CCCC1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 306130177 IYMCLDFZSCKTOK-CQSZACIVSA-N 317.389 1.910 0 40 DDAB CC(C)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38832223 DILGSXBJOVMNCN-ZDUSSCGKSA-N 312.391 1.128 0 40 DDAB CCN(C)c1ccccc1NC(=O)NC[C@H]1CN(C)CCN1C 77485302 QXBNNQJRLBKQHJ-AWEZNQCLSA-N 319.453 1.510 0 40 DDAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCN2CC(N)=O)n1 72383565 KTVNCWGGXWKNOS-GFCCVEGCSA-N 312.377 1.546 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@H]1C[C@@H]2C=C[C@H]1C2 71279233 SRJUFPDHMIKWRJ-VNHYZAJKSA-N 313.401 1.451 0 40 DDAB Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccncc1 71195700 HQWJSFGVYPAWKE-AWEZNQCLSA-N 322.372 1.808 0 40 DDAB CCn1nc(C)c(CCC(=O)NCCCn2cccn2)c1C 71195395 AEKXZMZHHDKFIG-UHFFFAOYSA-N 303.410 1.855 0 40 DDAB CSC[C@@H](CCO)Nc1cnn(C)c(=O)c1Br 77236990 SGWRUVBFEPMYSC-SSDOTTSWSA-N 322.228 1.069 0 40 DDAB CCOc1ccccc1NC(=O)C[C@H]1Cn2ncnc2NC1=O 40386488 HEIVEINYSBLGIH-JTQLQIEISA-N 315.333 1.274 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCOCC1 42665679 XJYKPGAYEKYNQP-UHFFFAOYSA-N 316.398 1.135 0 40 DDAB COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)c(C)c1 225953403 YLFFIXIINADPRP-NHYWBVRUSA-N 324.402 1.366 0 40 DDAB CN(C)C(=O)CN1CCC[C@]12CCCN(Cc1ccccn1)C2 96214880 MZNVFQUREBMVEO-SFHVURJKSA-N 316.449 1.600 0 40 DDAB c1cnc(N2CCC[C@]3(C2)CN(C2CCOCC2)CCO3)cn1 96074844 BHJZATLPSWVYPL-QGZVFWFLSA-N 318.421 1.327 0 40 DDAB COCCO[C@H]1CCN(C(=O)NC2CC2)[C@H]1Cc1cccnc1 96200529 TZZQYRZPHBJGCH-HOTGVXAUSA-N 319.405 1.602 0 40 DDAB CCN(CCNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1)C(C)C 96421532 AQUFANKSBAHJOU-GVDBMIGSSA-N 322.497 1.842 0 40 DDAB O=S1(=O)CCC(Nc2ncc(Br)cc2F)CC1 236136952 HNRPILRPXHOHOO-UHFFFAOYSA-N 323.187 1.972 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1c(F)cccc1F 96413628 YSUWNSNEQMDOOL-PSLIRLAXSA-N 314.332 1.817 0 40 DDAB Nc1c(C(=O)N2CCN(CC3CC3)CC2)nnc2ccccc12 95400095 COKIVKFXQCPWNI-UHFFFAOYSA-N 311.389 1.380 0 40 DDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(C1CCC1)C2 96218951 PWTRGNJCPHAWFG-CXAGYDPISA-N 301.390 1.451 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccncc1 96061737 YJHFTUVUPJAJDT-CVEARBPZSA-N 311.389 1.259 0 40 DDAB O=C(Nc1cc(F)ccc1Br)N(CCO)CCO 96489173 YGKRAJFAZQANEY-UHFFFAOYSA-N 321.146 1.407 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4cc(C)on4)C[C@H]3O2)n1 96217273 KTLPMLUAYPBFHE-FPMFFAJLSA-N 304.350 1.506 0 40 DDAB CN(C1CCN(c2nc(C3CC3)ns2)CC1)S(C)(=O)=O 95408557 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CC(=O)N1CCC[C@]1(CO)CC(=O)N(C)Cc1cccc(C)c1 585281236 UOIUKGLTBXWMMC-GOSISDBHSA-N 318.417 1.717 0 40 DDAB Cn1cc(CN2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1 585112693 TVEDBYOAZUMLHW-INIZCTEOSA-N 324.388 1.475 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NCCO[C@H]1CCCCO1 585142355 UDVOQBDYHMAZKQ-HOTGVXAUSA-N 307.390 1.904 0 40 DDAB CC(C)(C)NC(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49483206 XIHDCYAHYLAPDK-UHFFFAOYSA-N 302.338 1.434 0 40 DDAB COCC[C@](C)(O)CNC(=O)c1cncc(Br)c1 174894118 UWJBRRKWEFKNAJ-LBPRGKRZSA-N 317.183 1.361 0 40 DDAB CCc1ccc(CNC(=O)COn2nnc3ccccc32)s1 76062506 GOTOHPJHTHAUDF-UHFFFAOYSA-N 316.386 1.800 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NCCc1cccc(C(=O)NC)c1 77124608 OMLOIXZYAUCMSC-MRXNPFEDSA-N 317.433 1.579 0 40 DDAB Cc1cc(N2CC[C@@H](N[C@@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1 90170884 YWLRFEYIRQGXSG-CHWSQXEVSA-N 320.437 1.770 0 40 DDAB COc1cccc(C(=O)N[C@@H](C)CCN2CCOCC2)c1F 90613548 RGAJQHIMPWGJHC-LBPRGKRZSA-N 310.369 1.675 0 40 DDAB CCOc1ccc(OCC(=O)OCC(=O)N[C@H](C)CC)cc1 5287144 WFUNLJFLOUNTCM-GFCCVEGCSA-N 309.362 1.922 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 13682452 FNAQOTQCRORLLN-UHFFFAOYSA-N 314.407 1.475 0 40 DDAB Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCOCC1 19793663 ZYZAWARCVPKIPD-UHFFFAOYSA-N 301.390 1.735 0 40 DDAB COC(=O)c1c(F)cc(B(O)OC(C)(C)C(C)(C)O)cc1F 169995269 RUKONUYFEFTWGL-UHFFFAOYSA-N 316.109 1.005 0 40 DDAB O=C(O)Cn1nc(I)c2ccccc21 208599691 PAYPMWNEUOZXHU-UHFFFAOYSA-N 302.071 1.726 0 40 DDAB CCN=c1ccnc(N2CCN(c3cc(CC)ncn3)CC2)[nH]1 1888860131 HZNNAPOSBUWCJK-UHFFFAOYSA-N 313.409 1.009 0 40 DDAB COc1cnccc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(C)C 1565549949 KPYPCWZRZQEUBU-DZGCQCFKSA-N 305.378 1.024 0 40 DDAB O=C(c1cc[nH]c1)N1C[C@@H]2c3cnc(N4CCCC4)nc3C[C@H]2C1 1565544093 CXXAMLWMGCJIRG-ZFWWWQNUSA-N 323.400 1.817 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1 12443632 XRMRUZQQQSDVDJ-CYBMUJFWSA-N 322.364 1.878 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccsc2)cc1 13698161 RAKFOAXYMODSRA-UHFFFAOYSA-N 324.427 1.928 0 40 DDAB COc1nc(CNC(=O)c2ccoc2)nc(N2CCCC2)n1 575608767 YEQJUUYUBIBSMT-UHFFFAOYSA-N 303.322 1.003 0 40 DDAB CC(=O)Nc1ccc(C(=O)N2CC(Nc3ncccn3)C2)cc1 244970114 HKMBDDQVTZLEBS-UHFFFAOYSA-N 311.345 1.372 0 40 DDAB CCc1ncnc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)c1F 2298029952 GXGFXOKTHKFEOD-LBPRGKRZSA-N 318.400 1.622 0 40 DDAB COCc1nsc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298174050 GOEWZZJMABWATE-JTQLQIEISA-N 312.439 1.816 0 40 DDAB N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 50241962 WUPXZDWGFPSPAE-QMMMGPOBSA-N 323.187 1.310 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccco3)cn2)CCO1 40535976 QFNCPJUUMFCDQK-LBPRGKRZSA-N 301.346 1.830 0 40 DDAB Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2cc(O)ccc12 20622940 YHJPJJOJLAPSKS-UHFFFAOYSA-N 316.357 1.124 0 40 DDAB CC(C)N1C(=O)C[C@H](NC(=O)Nc2cccc(Cl)c2)C1=O 101534113 YHRDCZXUORMAHP-NSHDSACASA-N 309.753 1.997 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(Br)cc2)C1 41126969 AAMWKDUTNIYADD-GQOHGMTASA-N 323.190 1.796 0 40 DDAB CCCC(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 32928194 IBVMTTAMYQZADL-UHFFFAOYSA-N 317.389 1.933 0 40 DDAB NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 535726 LLLBYQILCMEVHJ-QMMMGPOBSA-N 301.730 1.764 0 40 DDAB Cc1ccc(C)c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 42071470 SHHCTSBLVXHVRR-CYBMUJFWSA-N 310.419 1.457 0 40 DDAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1 122211 VPENQLRONNYYSZ-UHFFFAOYSA-N 321.402 1.452 0 40 DDAB COc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1 256856 CKJQGSAWPYXNTJ-UHFFFAOYSA-N 324.340 1.117 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)c1cc(Br)c[nH]1 37502966 KXJHKQFNOBTYOK-UHFFFAOYSA-N 324.182 1.587 0 40 DDAB COC(=O)[C@H](C)NC(=O)/C=C/c1ccc(Br)o1 3175794 QZVFWLMTTWOVSO-KNIZRNDPSA-N 302.124 1.733 0 40 DDAB C[C@](O)(CNC(=O)Nc1nnc2ccccn12)c1ccco1 78937247 PFIOFIWQKGTLMN-AWEZNQCLSA-N 301.306 1.352 0 40 DDAB CCc1ccccc1OCC(=O)N(C)C1CCS(=O)CC1 78986779 PSONWDQUFYMOFB-UHFFFAOYSA-N 309.431 1.997 0 40 DDAB CCCOc1ccc(Cl)cc1C(=O)NCc1n[nH]c(=O)[nH]1 79019745 NJQLFZNMLHLEMZ-UHFFFAOYSA-N 310.741 1.470 0 40 DDAB Cc1noc(CCCOc2cccc(C(=O)NC[C@H](C)O)c2)n1 79112098 CUZSGBOJAQTFEZ-NSHDSACASA-N 319.361 1.500 0 40 DDAB CCOc1ccc(NC(=O)C[C@H](C(=O)O)N2CCOCC2)cc1 2698053 SBHKFZQJWBSJJD-CQSZACIVSA-N 322.361 1.199 0 40 DDAB Nc1cccc2c1C(=O)N(CC(=O)N1CCCCCC1)C2=O 3351735 NLHGJFXSFKYIOR-UHFFFAOYSA-N 301.346 1.267 0 40 DDAB CNC(=O)[C@@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 47896884 BQVDGNUIHJFKGZ-HNNXBMFYSA-N 301.346 1.437 0 40 DDAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1C 106094292 LWYCJRKVRQFETD-CHWSQXEVSA-N 310.419 1.578 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)Cn2ccnc2)c1C 47931637 KEDZNQCQJPGPNK-SNVBAGLBSA-N 318.377 1.823 0 40 DDAB Cc1csc(N2CCN(CC(=O)N3CCCC3)C[C@H]2C)n1 106844340 HWFVOQNMVKXORE-CYBMUJFWSA-N 308.451 1.584 0 40 DDAB Cc1ccc2nc(CN3CCS(=O)(=O)[C@@H](C)[C@@H]3C)cn2c1 89666042 DRWWWQNTOMUTSL-STQMWFEESA-N 307.419 1.650 0 40 DDAB Cc1cc2nc(SCC(=O)NCCC(C)C)n(C)c(=O)c2[nH]1 57521279 SPZHJXXQNNYEJP-UHFFFAOYSA-N 322.434 1.824 0 40 DDAB COc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nnn[nH]1 57523550 IDUXZWRVYFWETG-LBPRGKRZSA-N 324.344 1.568 0 40 DDAB CC(=O)NCCNC(=O)c1cc(-c2cccc(Cl)c2)no1 58291817 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O=C(COC(=O)c1ccc(O)cc1O)Nc1cccnc1Cl 7254890 CEFODEBKYHOHPD-UHFFFAOYSA-N 322.704 1.942 0 40 DDAB Cc1nc(CN(C)Cc2cnc(N3CCOCC3)s2)no1 67934198 KDJHNQXWYXCQAP-UHFFFAOYSA-N 309.395 1.303 0 40 DDAB CC[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CCO1 71798168 APQRETOVAPKOQL-AWEZNQCLSA-N 315.373 1.807 0 40 DDAB Cc1c[nH]nc1NC(=O)Cc1csc(NC(=O)C(C)C)n1 70038256 CQJFLNMAPHYXQG-UHFFFAOYSA-N 307.379 1.950 0 40 DDAB CN(C)[C@H](CNC(=O)N[C@@H](CCO)C1CC1)c1cccs1 89312240 MMWGHNMFCDVBHG-QWHCGFSZSA-N 311.451 1.811 0 40 DDAB c1ccc(-n2nnnc2CN2CCCC[C@H]2Cn2cncn2)cc1 69510337 PMBOFBQREZTMKD-HNNXBMFYSA-N 324.392 1.309 0 40 DDAB c1ccc(-c2noc(CN3CCC[C@H]3Cn3cccn3)n2)nc1 69626730 HGKQVIXAYUTOOC-ZDUSSCGKSA-N 310.361 1.993 0 40 DDAB CCc1nc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)no1 69699369 DWWBVXMIDKENQO-ZDUSSCGKSA-N 304.398 1.753 0 40 DDAB C[C@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1cccc(F)c1 17734498 RLTRDBUUURKHIF-VIFPVBQESA-N 321.308 1.304 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1csc(C)n1 71841265 BEWSSWQWXWLXGY-VHSXEESVSA-N 312.439 1.596 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1ccc(C(F)(F)F)n1 71830227 JAPGYKFHHUJAKA-RKDXNWHRSA-N 318.299 1.014 0 40 DDAB CC(C)(C)OC(=O)NN1C[C@@H](C(=O)NCc2ccco2)CC1=O 71922153 ACIMJMVBDLMKNL-JTQLQIEISA-N 323.349 1.184 0 40 DDAB C[C@@H](CO)CNCc1cc(Br)c2c(c1)OCO2 88195154 OKUDOFPRKWUTFF-MRVPVSSYSA-N 302.168 1.896 0 40 DDAB C[C@@H]1c2cccn2CCN1C(=O)c1csc(-c2nc[nH]n2)n1 72280675 LGJSTUULWDZHMF-SECBINFHSA-N 314.374 1.947 0 40 DDAB CC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1 84248035 LKUVJCILIVGDEE-CZUORRHYSA-N 300.406 1.989 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCc2nn(C)c(=O)cc2C1 72302346 YEAXLUNGYMPHTA-UHFFFAOYSA-N 307.785 1.034 0 40 DDAB O=C1NCCN(C(=O)c2ccc(F)nc2)[C@H]1c1cccs1 72528449 GADXYNUZFBZZRZ-LBPRGKRZSA-N 305.334 1.596 0 40 DDAB COCc1nc(C)cc(N[C@H](C(=O)N2CCCC2)C(C)C)n1 301646525 NYVINOGHFZFIPP-HNNXBMFYSA-N 306.410 1.990 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cnn(C)c2)cc1 27919102 QHFYSNUFFKYMDC-SNVBAGLBSA-N 322.390 1.418 0 40 DDAB CC(=O)N1CCC(C(=O)N[C@@H](C)c2cn3ccsc3n2)CC1 67909351 NOAULCVGONSMJF-JTQLQIEISA-N 320.418 1.832 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 37328696 HULNIWJZSVTHJM-UHFFFAOYSA-N 314.363 1.130 0 40 DDAB Cc1cc([C@H](O)c2ccccc2)cnc1N1CCN(C=O)CC1 72222641 RCHACGCETFSENW-QGZVFWFLSA-N 311.385 1.750 0 40 DDAB CCN(C(=O)[C@@H](C)n1cccn1)[C@@H](C)CS(=O)(=O)CC 79041492 IFVXJLQNUBCARW-NWDGAFQWSA-N 301.412 1.116 0 40 DDAB Cc1cc(-n2ccnc2)nc(C2CCN(S(C)(=O)=O)CC2)n1 72360668 AWPRENNGRMGWQQ-UHFFFAOYSA-N 321.406 1.110 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)CCN1CCOCC1 31924433 RMAULGCBAREWBL-UHFFFAOYSA-N 306.362 1.524 0 40 DDAB NC(=O)c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72358306 KYONHNTUMMKKDL-CYBMUJFWSA-N 310.357 1.595 0 40 DDAB CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)C1 566627288 NZETWFWWXMPGQW-SHTZXODSSA-N 316.405 1.399 0 40 DDAB Cc1ccc2c(cnn2CCC(=O)NCCN2CCCC2)c1 40769066 XRAKLPHHBMTEBL-UHFFFAOYSA-N 300.406 1.947 0 40 DDAB Cc1c(C(=O)O)c(=NCc2nnc3n2CCC3)[nH]c2ccccc12 568517244 FBWBGZIPGVPSQF-UHFFFAOYSA-N 323.356 1.813 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H]1Cn2ncnc2NC1=O 40386591 ZSTHMIBZKQKQOC-VIFPVBQESA-N 319.752 1.837 0 40 DDAB C[C@@H](NC(=O)c1n[nH]c2c1CS(=O)(=O)CC2)c1ccccc1 41120938 UTBQJIKBOXBPEF-SNVBAGLBSA-N 319.386 1.372 0 40 DDAB CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)nn1C 195542639 MOYXTPXXUGNLGN-AWEZNQCLSA-N 315.373 1.969 0 40 DDAB COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C(C)C 222756789 ZRIUINOVZIKAIA-CQSZACIVSA-N 306.406 1.822 0 40 DDAB NC(=S)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387772 FDALKETWBAEURU-UHFFFAOYSA-N 321.365 1.803 0 40 DDAB COc1ccccc1C(C)(C)NCCN1C(=O)NC(C)(C)C1=O 69812354 IUEIUYKWDPAYIE-UHFFFAOYSA-N 319.405 1.850 0 40 DDAB CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223362893 DZVVDJJNJZWOFB-AAEUAGOBSA-N 318.373 1.821 0 40 DDAB CCOC(COCCN1C(=O)c2ccccc2C1=O)OCC 147702908 KFILRMHWVGXICY-UHFFFAOYSA-N 307.346 1.698 0 40 DDAB CC(=O)N1CC[C@@]2(CC(C(=O)NCc3cccc(F)c3)=NO2)C1 96268432 CWJYXDCAJZQRTF-MRXNPFEDSA-N 319.336 1.209 0 40 DDAB CN1CC[C@H](N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1=O 96424538 PRKLBVCMERDQHU-JTQLQIEISA-N 316.327 1.839 0 40 DDAB CCSCCN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 96424140 KVXKIEDWMOBPHJ-SNVBAGLBSA-N 300.449 1.838 0 40 DDAB Cc1cccc(NC[C@@H]2CCN(Cc3nnnn3C3CC3)C2)n1 97200931 QUBSGZNHJLJSHQ-ZDUSSCGKSA-N 313.409 1.645 0 40 DDAB O=S(=O)(Cc1csc(N2CCOCC2)n1)c1ccccc1 96409603 LYTPICOUPGDESD-UHFFFAOYSA-N 324.427 1.954 0 40 DDAB CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncccc2C(=O)O)C1 96515899 CVUAFDGMJOHHCE-SNVBAGLBSA-N 307.350 1.883 0 40 DDAB CN(C)C(=O)N1CC[C@@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1 96241234 YPTLUKGMJJSZSU-CJNGLKHVSA-N 323.368 1.837 0 40 DDAB CN1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 96228725 JOHPSTBXTDOWFO-INIZCTEOSA-N 308.447 1.861 0 40 DDAB CCc1ccccc1CNC(=O)CCC(=O)N1CCC(O)CC1 96487387 QSTFWDVWAMMIHF-UHFFFAOYSA-N 318.417 1.629 0 40 DDAB COCCCn1ccc(NC(=O)NCCc2cccnc2)n1 96413427 FZZXQLFOZNULIP-UHFFFAOYSA-N 303.366 1.679 0 40 DDAB C[C@H]1CN(C(=O)CN(C)[C@H](CCO)c2ccccc2)C[C@@H](C)O1 245287236 BQCPAODXEUXVLU-HLLBOEOZSA-N 320.433 1.678 0 40 DDAB CCOCC(=O)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 248322734 WTQXMRGRZZGAHR-OAHLLOKOSA-N 320.389 1.395 0 40 DDAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 248177687 WPTSUELBQZMRJY-WBVHZDCISA-N 310.438 1.515 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)[C@H]1CCCO1 248339566 TVVSLCSISYUBKC-UXIGCNINSA-N 312.373 1.805 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCN(c2ccccn2)C1 257343166 ZRTAFRRQQUHYGB-AWEZNQCLSA-N 313.405 1.749 0 40 DDAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)C1 253369447 CSZSPJORDWPHAK-YJNKXOJESA-N 307.438 1.282 0 40 DDAB CN(C)Cc1ccnc([C@H]2CN(Cc3nccs3)CCO2)n1 257209977 BSQCRAQFMIZRGV-CYBMUJFWSA-N 319.434 1.568 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 257218112 DBXVNWHVRXVBKL-GFCCVEGCSA-N 319.361 1.391 0 40 DDAB CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O 257323707 WLOHKSDDPFDMGF-MGPQQGTHSA-N 308.765 1.778 0 40 DDAB COc1ccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)cc1 256046927 JCFVZQRABJTFCW-UHFFFAOYSA-N 302.334 1.964 0 40 DDAB CCCCC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 575406630 QAYVANCONPTQIS-HNNXBMFYSA-N 321.421 1.494 0 40 DDAB CC1(C)CN(C[C@](C)(O)C(=O)O)C[C@@H](COc2ccccc2)O1 579496621 MOEWZICJSKZSDX-YOEHRIQHSA-N 323.389 1.380 0 40 DDAB CO[C@@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1Cc1ccccc1 585279866 RKLJJSAHPGSRSK-IAGOWNOFSA-N 313.401 1.989 0 40 DDAB COC(=O)c1cccc2c1CCCN2C(=O)C(=O)NC1CC1 52622994 TWKSLMBOZWTFMP-UHFFFAOYSA-N 302.330 1.031 0 40 DDAB CCN(CC(=O)NC)C(=O)CSCC(=O)c1ccccc1 58378300 SRFPBVCCRYKWNR-UHFFFAOYSA-N 308.403 1.197 0 40 DDAB O=C(NCCN1CCCS1(=O)=O)c1cc2c(s1)CCC2 61598360 UIACICIWQCQDBU-UHFFFAOYSA-N 314.432 1.002 0 40 DDAB Cn1cc(N2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cn1 74798727 UBSXHURTGJGEKA-INIZCTEOSA-N 322.359 1.554 0 40 DDAB CC(=O)N1CCC(C(=O)NCc2ccc(C3CC3)nc2)CC1 1565522596 VEGHMFAHRRCCTC-UHFFFAOYSA-N 301.390 1.834 0 40 DDAB O=C(CCNC[C@@H]1CCCN1c1cccnn1)NC1CCCC1 75584867 BJYGFEKLFVFOGJ-HNNXBMFYSA-N 317.437 1.484 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)NCCc1cc(F)ccc1F 78987879 QLXPLOBDOTWNCM-JTQLQIEISA-N 309.320 1.487 0 40 DDAB CC[C@@H](C)c1cc(C(=O)NC2CCS(=O)(=O)CC2)on1 96436122 DZZIKHFTXSXYAZ-SECBINFHSA-N 300.380 1.495 0 40 DDAB COc1cc(Br)ccc1CN[C@H]1CCC(=O)NC1 96005642 XYIYEAFLUVIGQU-NSHDSACASA-N 313.195 1.826 0 40 DDAB COc1cc(/C=C/CN[C@H](C(=O)O)[C@@H](C)[C@H](C)O)ccc1O 1772592049 XXYLZEKPQREHDD-JJGCYFQZSA-N 309.362 1.474 0 40 DDAB CC(C)[C@@H](C)NC(=O)Cn1c(NC[C@@H](C)O)nc2ccccc21 5265184 ZFNIFVYKSGCESL-CHWSQXEVSA-N 318.421 1.990 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 11665620 KVHDFPALCOOWEF-AWEZNQCLSA-N 301.346 1.092 0 40 DDAB CCn1c(=O)n(CC(=O)NCCc2ccccc2)c2cccnc21 12117579 YSIREKZWLZRHGL-UHFFFAOYSA-N 324.384 1.577 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)C1=O 13165031 VANPHHLNAYJHEL-SRVKXCTJSA-N 323.393 1.127 0 40 DDAB Cc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)O)C2=O)cc1C 16899611 WIUBEPXPLVSVTL-NWDGAFQWSA-N 322.386 1.080 0 40 DDAB Cc1cc(N2CCN(C)CC2)n2nc(-c3nccn3C)cc2n1 19117268 SJWIGXLXBQGXBF-UHFFFAOYSA-N 311.393 1.190 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3snnc3C)C2)nn1 225424552 FYQJQLMJCRJUHK-JTQLQIEISA-N 305.363 1.238 0 40 DDAB COc1ccc(C)cc1CN1CCC[C@H]1c1nc(=N)n(C)[nH]1 574721262 FQAUQBCCTYVYPT-ZDUSSCGKSA-N 301.394 1.882 0 40 DDAB CCc1cnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc1 1888849927 MYYJLNBFCDEKED-CQSZACIVSA-N 304.394 1.114 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc[nH]1 24662271 JJSBNGKSGGVDQP-UHFFFAOYSA-N 310.313 1.944 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)C1(F)CC1)CC2 1565549508 SMRGLYPHUANQNO-OAHLLOKOSA-N 312.385 1.509 0 40 DDAB O=c1c2cnn(CCO)c2ncn1Cc1ccc(Cl)cc1 4940562 ZUCFBQVXRMIXDG-UHFFFAOYSA-N 304.737 1.287 0 40 DDAB CCS(=O)(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5222229 ALFLWVHRNBWAAI-JTQLQIEISA-N 302.783 1.385 0 40 DDAB C=CC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)NC)CC1 2055772001 PTTPAMNNPMXOTN-UHFFFAOYSA-N 317.389 1.400 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)no1 38936667 KTERWEUMTZJDQP-NSHDSACASA-N 323.349 1.114 0 40 DDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@H]1CS2 575616531 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0 40 DDAB O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 78571119 YIONWNUDDKCYPL-CVEARBPZSA-N 319.449 1.236 0 40 DDAB CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 54117039 JLLKVSDVAVJNGG-BFHYXJOUSA-N 311.378 1.575 0 40 DDAB O=C1CCCN1c1cccc(NC(=O)N2CCC[C@@H]2CO)c1 78791146 GKYYVVKUPVXJNA-CQSZACIVSA-N 303.362 1.802 0 40 DDAB CC(=O)Nc1ccc(O)cc1SC[C@H](NC(C)=O)C(=O)O 2387116 DWMCIRCEXKLKHA-NSHDSACASA-N 312.347 1.032 0 40 DDAB CCCOc1ccc(C(=O)CCN[C@@H](C(=O)O)[C@@H](C)O)cc1 2922104 DNLRCJVEDXZSRP-IAQYHMDHSA-N 309.362 1.472 0 40 DDAB CN1C(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2C1=O 3147696 FKEUMPHYTOSQCO-UHFFFAOYSA-N 324.292 1.863 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)NC[C@@H]2CCCO2)c1C 6463551 HJIADMPIXXSJFZ-AWEZNQCLSA-N 321.373 1.521 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)NC(=S)c2ccco2)cc1 6487461 IAANLBYNJPELSZ-UHFFFAOYSA-N 324.383 1.952 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)s1 54798021 YDHQQMQAZOXALB-LBPRGKRZSA-N 310.400 1.561 0 40 DDAB C[C@H](NC(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)O 95425148 RPFVPOKXUIQXAD-ZETCQYMHSA-N 309.272 1.568 0 40 DDAB O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)[nH]n1 24965021 GPLNKPYFRAFIOM-UHFFFAOYSA-N 318.352 1.278 0 40 DDAB O=S(=O)(Cc1cc(-c2ccccc2)on1)c1cccc[n+]1[O-] 47940692 CKBSWYRYKBQQIR-UHFFFAOYSA-N 316.338 1.949 0 40 DDAB C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)o1 48079096 ZBMJHZWGMRXJRX-SNVBAGLBSA-N 312.391 1.735 0 40 DDAB Cc1ncc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 106905432 ULQSIHJPHNHPHM-RYUDHWBXSA-N 310.423 1.114 0 40 DDAB CCOC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC)cc1 56158565 QPINRDAAUGORPG-SECBINFHSA-N 308.338 1.511 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1 56877326 FOCXSXJAUUYOOX-CQSZACIVSA-N 311.385 1.948 0 40 DDAB CCCc1nc(Cn2nnn(-c3cccs3)c2=O)cs1 26118982 BHCLJTPEYNWMMW-UHFFFAOYSA-N 307.404 1.948 0 40 DDAB CC1(C)C[C@H](NC(=O)c2cc(F)ccc2-n2cnnn2)CCO1 71285718 ZTCJAKMKJAKAHJ-LLVKDONJSA-N 319.340 1.489 0 40 DDAB NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 57487063 AIMZCQLVXIMDFD-UHFFFAOYSA-N 312.285 1.419 0 40 DDAB CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H]1c1ccncc1 48196338 AVSMERZRHNKGMQ-CQSZACIVSA-N 310.419 1.816 0 40 DDAB O=C(c1ccccc1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 48237937 WXUBEDYBMNTENN-UHFFFAOYSA-N 324.384 1.885 0 40 DDAB Cn1cc(CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)cn1 58210255 PPSXZGNODXOVHH-UHFFFAOYSA-N 321.768 1.511 0 40 DDAB O=C(NCc1cccnc1-n1cncn1)c1cn2ccccc2n1 58272759 CKOWREZGJAKBIT-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 44918337 HSSHBEAROWKYQO-UHFFFAOYSA-N 312.373 1.613 0 40 DDAB C[C@@H]1CCCN(C(=O)NCc2ccnc(N3CCOCC3)c2)C1 44968566 RREBPGPXEJOXRI-CQSZACIVSA-N 318.421 1.860 0 40 DDAB O=C(O)c1ccc(Cn2nnn(-c3cccs3)c2=O)cc1 58324489 CJNSJDJGKDYLLS-UHFFFAOYSA-N 302.315 1.237 0 40 DDAB Cc1cccc(OC[C@H](O)CNC[C@@H]2CNc3ccnn3C2)c1 58309880 CMELOYSFWITLGK-HUUCEWRRSA-N 316.405 1.263 0 40 DDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC[C@H]1CCOC1 48332820 AYJUSDQICANUCA-CYBMUJFWSA-N 300.362 1.912 0 40 DDAB O=C(c1ccncc1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107720990 XQYZKBVZCWGHGL-HRCADAONSA-N 302.374 1.880 0 40 DDAB Cc1ccc2cccc(OC[C@H](O)CN3CCOCC3)c2n1 95439031 HIWIFAUNXNWMAQ-OAHLLOKOSA-N 302.374 1.615 0 40 DDAB Cn1c(COC(=O)C(C)(C)c2ccccc2)cc(=O)n(C)c1=O 11296488 UTUCFXCVJCOLHY-UHFFFAOYSA-N 316.357 1.105 0 40 DDAB O=C(Nc1ccc(F)cn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 60380992 ARJFVTKGXQVWDM-SSDOTTSWSA-N 305.231 1.570 0 40 DDAB CCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 2630914 WSLHCFVDBGIHCE-UHFFFAOYSA-N 321.406 1.286 0 40 DDAB C[C@H](O)[C@H]1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 119498930 KXIVXWQUSAEGGZ-STQMWFEESA-N 316.405 1.908 0 40 DDAB CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(F)c1 38020908 LHXMUDRICHRDLX-UHFFFAOYSA-N 305.327 1.320 0 40 DDAB COC(=O)C[C@H]1C(=O)NCCN1C[C@@H](C)c1ccc(F)cc1 97103887 FQKDKGONLUOSKJ-RISCZKNCSA-N 308.353 1.293 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 93531504 GFSRBCAJCZIOQI-JTQLQIEISA-N 306.790 1.603 0 40 DDAB COc1cccc2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)oc12 13689764 GWGIKGUOCNXFKG-SNVBAGLBSA-N 307.327 1.482 0 40 DDAB NC(=O)Cn1cc(NC(=O)N[C@@H]2CCCc3ccccc32)cn1 65422927 SJAYDVAGVZRXJG-CQSZACIVSA-N 313.361 1.568 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cnnc2)cc1 65454748 LZOSUMYHIRPJEX-DLBZAZTESA-N 320.352 1.655 0 40 DDAB COc1cccc([C@H](CNc2ccc3nnnn3n2)N(C)C)c1 14254755 GSYPFIXIRYCFJA-ZDUSSCGKSA-N 313.365 1.243 0 40 DDAB Cn1ncc(N2CCN(c3ccccc3F)CC2)c(Cl)c1=O 6672511 VEHHUIURWGGPBW-UHFFFAOYSA-N 322.771 1.899 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1 4718022 CRWMQIPNGJYHCS-LBPRGKRZSA-N 301.390 1.162 0 40 DDAB Cn1cc(-c2ncc(C(=O)NCC[C@@H]3CCCO3)s2)cn1 66373832 STVCZQMQQWZCGF-NSHDSACASA-N 306.391 1.843 0 40 DDAB O=C(CC(=O)NC(=O)c1ccccc1)NC(=O)c1ccccc1 5681272 WYKRPBOMAURTFZ-UHFFFAOYSA-N 310.309 1.290 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 110604236 CJHDONHIMNPFJY-DGTMBMJNSA-N 314.451 1.640 0 40 DDAB CCN1C[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)CC1=O 67046583 VTWJNNVVJNKBLW-NEPJUHHUSA-N 307.419 1.718 0 40 DDAB CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2Cc1cccs1 6905781 FMPKLAVDHGSTPS-UHFFFAOYSA-N 321.383 1.646 0 40 DDAB Cc1ccc(C)c(NC(=O)Cn2nnn(-c3ccccc3)c2=O)c1 15373685 WYVHSPCOVNTZBP-UHFFFAOYSA-N 323.356 1.685 0 40 DDAB CNC(=O)CCCNCc1c(C)nn(CC(C)C)c1N(C)C 71853287 DWDXGENZWHHFKY-UHFFFAOYSA-N 309.458 1.529 0 40 DDAB COc1ccccc1NC(=O)COC(=O)c1c(C)noc1N 7250359 OPFIKAVNLDHOEV-UHFFFAOYSA-N 305.290 1.369 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1OC 19962517 JLRHGOPPXGCVCK-NSHDSACASA-N 316.317 1.587 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 8192358 PORRKQXOQBUKKG-MRVPVSSYSA-N 323.422 1.817 0 40 DDAB CCN(C(=O)CSc1cccc(OC)c1)[C@H]1CC(O)=NC1=O 71903875 DNNZLHKVPBADFV-LBPRGKRZSA-N 322.386 1.891 0 40 DDAB C/C=C(\C=C\C(=O)Oc1cccc(C(=O)NCC(N)=O)c1)CC 84668041 BQWDENOWFZGNGK-HROVTHNTSA-N 316.357 1.720 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 70020880 IYHNZECSXSWUFH-CYBMUJFWSA-N 318.377 1.060 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)n[nH]1 21096419 BHBXJVOEWQGKKP-UHFFFAOYSA-N 313.310 1.526 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(OC)c2)CC1 84733479 SLQGWIDZPUBFKO-CQSZACIVSA-N 307.394 1.616 0 40 DDAB Cc1cc(C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)nn1C(C)(C)C 96703786 OZUIYPGAVFHXFQ-LBPRGKRZSA-N 318.377 1.807 0 40 DDAB O=C(NO[C@@H]1CCCCO1)c1ccccc1N1CCOCC1 69509404 TVNZGDASRBQPLV-OAHLLOKOSA-N 306.362 1.711 0 40 DDAB O=c1c2ccccc2ncn1Cc1nnnn1-c1ccccc1 17529057 CFBWOYSMMSXBDN-UHFFFAOYSA-N 304.313 1.421 0 40 DDAB CCCCc1ccc(C(=O)OCc2nc(N)nc(N)n2)cc1 8543392 WYEOFPJZTOQMKX-UHFFFAOYSA-N 301.350 1.736 0 40 DDAB CCOC(=O)c1ccc(NC(=O)NCCNC(=O)N(C)C)cc1 95467054 BEHBBGSJQGDGCE-UHFFFAOYSA-N 322.365 1.256 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1cccnc1Cl 9855758 SEEHEYKFGAANGN-UHFFFAOYSA-N 307.741 1.077 0 40 DDAB CO[C@@H](C)CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69737543 WERBMLPRBMZHJA-HOCLYGCPSA-N 306.406 1.289 0 40 DDAB CCCCS(=O)(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 69814583 KKUWITCXACUUDM-ZDUSSCGKSA-N 318.483 1.991 0 40 DDAB CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H]1CCN2CCCC[C@H]12 97021311 MLCZLPACJAZPEL-KFWWJZLASA-N 311.470 1.956 0 40 DDAB NC(=O)[C@@H]1COCCN1c1ncc(C(F)(F)F)cc1Cl 97049840 KSVFLJXBKMVAFU-QMMMGPOBSA-N 309.675 1.444 0 40 DDAB O[C@H]1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)C1 97085911 VSNUBGKFSSXGDB-QWRGUYRKSA-N 305.296 1.512 0 40 DDAB CC1CCN(C[C@@H](O)CNC(=O)Cc2cccc(O)c2)CC1 72286652 HCRVUHFIGHYACR-INIZCTEOSA-N 306.406 1.144 0 40 DDAB CCNC(=O)C[C@H]1CCCN1Cc1nc(=O)c2ccccc2[nH]1 72292305 DOJUYLIXJXLZMA-GFCCVEGCSA-N 314.389 1.414 0 40 DDAB CC(=O)NC[C@@H]1CCCN(Cn2c(=O)n(C)c3ccccc32)C1 95956233 CFZJHFPGEYBJHO-AWEZNQCLSA-N 316.405 1.146 0 40 DDAB Cc1c(C(=O)NC[C@@H](C)C(=O)O)cnn1Cc1ccccc1 95970591 AQZDQHDGINFIQE-LLVKDONJSA-N 301.346 1.690 0 40 DDAB O=C(O)COc1ccc(S(=O)(=O)N[C@@H]2CC=CCC2)cc1 88747475 FUVRJJTYZXTVSR-LLVKDONJSA-N 311.359 1.537 0 40 DDAB CNC(=O)Cc1noc([C@H]2CCCN2Cc2ccccc2)n1 89647405 OXFGMYMTSLZTOB-CYBMUJFWSA-N 300.362 1.695 0 40 DDAB O=C(c1ccc2cc[nH]c2c1)N1CCN([C@H]2CCC[C@H]2O)CC1 89780917 VVLKVWJHLCISDW-DLBZAZTESA-N 313.401 1.839 0 40 DDAB O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CN2CCCN1CC2 89827724 WEHFRPLFGYSJEM-KRWDZBQOSA-N 313.445 1.614 0 40 DDAB C[C@@H](CNC(=O)NCCCn1cncn1)N1CCCC[C@H]1C 89929744 ICXJUISQXYPCLE-KGLIPLIRSA-N 308.430 1.230 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 76045906 VRLYAVKNXZXWDM-LBPRGKRZSA-N 316.365 1.069 0 40 DDAB CC1(C)C[C@H](NC(=O)[C@H](c2ccccc2)n2cnnn2)CCO1 61721274 ZICMPIYIFKBGPW-KGLIPLIRSA-N 315.377 1.336 0 40 DDAB O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@@H]2C1 67897409 NYVBHMGNPSEUCU-CVEARBPZSA-N 323.352 1.338 0 40 DDAB biogenic,in-vitro CCN(CC)CCNS(=O)(=O)c1c(C)nn(CC)c1C 35670978 ZTMDXOWVLATKSF-UHFFFAOYSA-N 302.444 1.140 0 40 DDAB C[C@@H](c1n[nH]c(=O)[nH]1)n1cnc2sc3c(c2c1=O)CCCC3 32581787 LNXNQFNNYOBAAA-ZETCQYMHSA-N 317.374 1.358 0 40 DDAB CNS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 565593193 KKXCZYHXPPTGAZ-CABCVRRESA-N 324.446 1.720 0 40 DDAB Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccncc1 71195699 HQWJSFGVYPAWKE-CQSZACIVSA-N 322.372 1.808 0 40 DDAB NCC(=O)N(CC1CCN(Cc2ccccc2)CC1)C1CC1 79404345 UXQGJHYMTRUKIV-UHFFFAOYSA-N 301.434 1.848 0 40 DDAB Cn1c(SCc2nc(N)nc(N)n2)nc2cc(Cl)ccc21 44050277 YSUCSXUHCIPLGW-UHFFFAOYSA-N 321.797 1.868 0 40 DDAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 195547172 GVVNUXXDSIPYGM-AGIUHOORSA-N 322.453 1.746 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 69895045 DCXBHGPJKDPYDS-KBPBESRZSA-N 308.397 1.529 0 40 DDAB C[C@H](CNC(=O)c1cccc(-n2cccn2)n1)Cn1ccnc1 81801664 SDQVHICILBIOPY-CYBMUJFWSA-N 310.361 1.530 0 40 DDAB CCn1ncc2c1[C@@H](COC)N(C(=O)c1cscn1)CC2 96197807 XDTMRMFNXVEXCF-GFCCVEGCSA-N 306.391 1.746 0 40 DDAB CCS(=O)(=O)N1CCC2(CN(Cc3ccccc3F)C2)C1 96089427 ACIMQKJFKBRVCR-UHFFFAOYSA-N 312.410 1.683 0 40 DDAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@@]1(O)CCOC1 334057327 WCFQLLIAELQWGX-CQSZACIVSA-N 322.342 1.157 0 40 DDAB C[C@@H](CSC(C)(C)C)NC[C@H]1CCCN1S(C)(=O)=O 90798787 XTPLFXBCZYKLAU-NWDGAFQWSA-N 308.513 1.920 0 40 DDAB Cc1ccc(C)c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H](C)CO2)c1 96426745 JIEHDYDSFPJHRP-NUEKZKHPSA-N 316.401 1.870 0 40 DDAB O=C(NCCc1ccc(O)cc1)C1(n2cnnn2)CCCCC1 95479640 LBRHUEFEMDHQHL-UHFFFAOYSA-N 315.377 1.397 0 40 DDAB O=C([C@H]1COC[C@H]2CN(CC3CC3)C[C@H]21)N1CCC(F)CC1 96040782 HPOWQSSBXMXGNG-BMFZPTHFSA-N 310.413 1.551 0 40 DDAB O=C(NCc1ccccc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200464 POYZMHGRROEZST-IRXDYDNUSA-N 311.385 1.969 0 40 DDAB O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CC=CCC1 96432221 ZQHVOAFBBVRICA-NWDGAFQWSA-N 309.391 1.538 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(c1ncc(F)cn1)CC2 96217792 UGRCESYVVAMMLI-INIZCTEOSA-N 322.384 1.614 0 40 DDAB CN1CCO[C@@H](C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)C1 96502532 CPHSIFSJSJHWNX-LSDHHAIUSA-N 308.353 1.136 0 40 DDAB CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2C(=O)CCc1ccccc1 96184506 YTUDLJLVASDKRW-CABCVRRESA-N 322.430 1.254 0 40 DDAB O=C([C@@H]1CCOC1)N1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 96159547 ICJRKGSYUTXQIB-MLGOLLRUSA-N 320.414 1.740 0 40 DDAB Cn1nccc1CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 96426200 JLMBCJFNDPWTAM-KBPBESRZSA-N 313.357 1.611 0 40 DDAB C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 245339035 QCPCBADRPKEHAL-VXGBXAGGSA-N 301.456 1.035 0 40 DDAB CCN(C(=O)CCNS(C)(=O)=O)[C@H](C)c1ccc(F)cc1 64299236 FVHOXHWJTMCNCS-LLVKDONJSA-N 316.398 1.675 0 40 DDAB CNc1ncc(C(=O)N2CCC[C@H](c3cncc(C)n3)C2)cn1 257335008 YIHCWUZLPNXXAF-LBPRGKRZSA-N 312.377 1.637 0 40 DDAB CN1CCC(N2CCC3(CC(Nc4ccncn4)C3)C2)CC1 257226086 FJCKFALECCBELK-UHFFFAOYSA-N 301.438 1.837 0 40 DDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2cnco2)n1 257242409 ICILEJWGDWUZSP-GFCCVEGCSA-N 301.350 1.504 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC(OCC(F)(F)F)C2)cc1 390826464 LZTOGFQAHQIJKP-UHFFFAOYSA-N 317.263 1.877 0 40 DDAB CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@H]2CCCO2)cc1 298101735 LNBXJAFMAUBBOD-OAHLLOKOSA-N 320.389 1.385 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585290033 ZHHKUEKQIOZXSR-INIZCTEOSA-N 305.378 1.310 0 40 DDAB Cc1ccoc1C(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093459 XZJDHXLABVXWDU-AWEZNQCLSA-N 312.316 1.918 0 40 DDAB O=C(CN1CCC[C@H](N2CCCCCC2)C1)NC[C@@H]1CCCO1 71886751 BRKYFOGYMVDPJC-IRXDYDNUSA-N 323.481 1.622 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 72235507 LDZYPBGDRBLPSA-FZMZJTMJSA-N 302.382 1.516 0 40 DDAB CCc1c(C)ncnc1N1CCN(c2ncncc2F)CC1 1776008821 PAZRCHSTELBMHJ-UHFFFAOYSA-N 302.357 1.603 0 40 DDAB O=C(c1ccccc1)N1CCN(C(=O)C2CCOCC2)CC1 78350790 FAUWFUCZZQOEBA-UHFFFAOYSA-N 302.374 1.398 0 40 DDAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)NC(N)=O)cc1OC 55994906 AQSLWHRZCKHQJX-UWVGGRQHSA-N 309.366 1.246 0 40 DDAB C[C@H](C(=O)NCCOc1ccc2c(c1)CCC2)n1cncn1 56009763 SKRGACXPXUJSNQ-GFCCVEGCSA-N 300.362 1.523 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@@H](O)c2ccccc2)c(=O)[nH]1 75111047 HIKQJPUOIVOJRB-OAHLLOKOSA-N 315.373 1.525 0 40 DDAB Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1Cc1ccccn1 57257730 UDUKTGVPBKLYGR-UHFFFAOYSA-N 314.389 1.542 0 40 DDAB CC(=O)NCC(=O)NCc1nc(Cc2ccc(Cl)cc2)no1 75610063 YZOSZBPGFUUQSV-UHFFFAOYSA-N 322.752 1.066 0 40 DDAB CCN1C(=O)[C@@](O)([C@H]2COC(C)(C)CC2=O)c2cc(C)ccc21 5018921 DTXIHQDLCHPHQA-UGSOOPFHSA-N 317.385 1.933 0 40 DDAB O=C(NC1CC1)[C@H]1C=CCN1S(=O)(=O)c1cccc(F)c1 12115057 KZJKKSZUTLEAKO-CYBMUJFWSA-N 310.350 1.033 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC(C)(C)C)n2)o1 12182948 YBTMLZVNXLRFRI-SNVBAGLBSA-N 318.377 1.870 0 40 DDAB Cc1nc(C)n([C@@H](C)CNC(=O)[C@@H]2OCOc3ccccc32)n1 12195372 TUEAUHCFPLPXST-ZUZCIYMTSA-N 316.361 1.680 0 40 DDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2 12345412 CZVNJTAOJYOTLT-OAHLLOKOSA-N 315.373 1.563 0 40 DDAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C=O)CC1 13708758 CRLRFBJXKSJOMU-AWEZNQCLSA-N 312.369 1.908 0 40 DDAB CCOC(=O)CNC(=O)c1ccnc(O[C@H]2CCSC2)c1 225718873 GOADZLONKYMCIM-NSHDSACASA-N 310.375 1.259 0 40 DDAB CCN(Cc1cnn(C)c1)[C@H]1CCOC2(CCN(C)CC2)C1 643914789 WTIXWEVZIPSTFZ-INIZCTEOSA-N 306.454 1.885 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 20475528 SRYCDCBCOGLVDD-VIFPVBQESA-N 319.224 1.561 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)cc1F 4548211 SWFMPZVPXFIOMQ-UHFFFAOYSA-N 323.299 1.768 0 40 DDAB Fc1cnc(N2CCN(c3ncnc4cnccc34)CC2)nc1 1888869925 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1.059 0 40 DDAB CCC[C@H](C)N(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 30443095 WQYOBZLFIZMXHE-JTQLQIEISA-N 314.407 1.603 0 40 DDAB NC(=O)[C@@H]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)C1 52392214 CLJGPJHJCQBFKL-SNVBAGLBSA-N 318.764 1.198 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C[C@@H](C)O1 540879 ZJOGADBZWGFYOX-SCRDCRAPSA-N 306.362 1.501 0 40 DDAB CN1C(=O)C(C(=O)c2cn(C)c3ccccc23)C(=O)N(C)C1=O 103257463 YZZSMPLXEXAONR-UHFFFAOYSA-N 313.313 1.028 0 40 DDAB COc1ccc(CN(C)C(=O)c2nccnc2N)cc1OC 22380619 BUQZPFUCEHJJHX-UHFFFAOYSA-N 302.334 1.348 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)NC(C2CC2)C2CC2)cc1 22885886 IQVLGPYVXWOGTM-UHFFFAOYSA-N 322.430 1.571 0 40 DDAB CCN(CC)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O 3036993 MVHOJIGDHIYXSJ-CQSZACIVSA-N 321.446 1.948 0 40 DDAB COC(=O)CNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 71185811 WUUVIAJTUCOREE-MRVPVSSYSA-N 305.252 1.762 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(CCOC[C@@H]3CCCO3)C2)no1 78891020 BNTPMARJCZNVGB-CABCVRRESA-N 324.425 1.080 0 40 DDAB Cn1cc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cn1 79483774 NXGCOCBKSNSSAK-UHFFFAOYSA-N 303.370 1.386 0 40 DDAB COC(=O)CCNC(=O)c1nn(-c2ccccc2)c2c1CCC2 23172602 IOSBIGHGLXCYEE-UHFFFAOYSA-N 313.357 1.654 0 40 DDAB C[C@@H]1SCC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 2711122 MBGGNTIRKCNLIZ-QMMMGPOBSA-N 312.778 1.769 0 40 DDAB CCN(CC)CCn1cc(Nc2ncnc3c2cnn3C)cn1 54389223 OBNCBHWLDMAGQW-UHFFFAOYSA-N 314.397 1.645 0 40 DDAB Cc1ccc(CSc2nc3c(cnn3CCO)c(=O)[nH]2)cc1 7418038 GBVLKTDOSQCJGH-UHFFFAOYSA-N 316.386 1.713 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCC[C@H](O)C1 43137120 ZZYAFOQEFIEPMF-LSDHHAIUSA-N 321.421 1.973 0 40 DDAB COC(=O)c1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1 1237792 CUEZBOJOQIHECK-JTQLQIEISA-N 309.343 1.360 0 40 DDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC2(CC1)OCCO2 24997171 AUQWOMAHAKSWHG-UHFFFAOYSA-N 314.341 1.507 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(O)c3c2)C1 12504722 GOEBFSMTHRKBBL-AOOOYVTPSA-N 310.379 1.335 0 40 DDAB Cn1cc(NC(=O)Cn2c(S)nnc2-c2cccs2)cn1 25308901 ITGWPFCMODPCIN-UHFFFAOYSA-N 320.403 1.668 0 40 DDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=S)NC1CC1 47982183 IQBCXRKNOCNTML-VIFPVBQESA-N 313.448 1.364 0 40 DDAB Cc1c(C(=O)N2CCO[C@H]3CCC[C@H]32)cnn1-c1ccccn1 56194909 IUGGCFBKHGNALH-CABCVRRESA-N 312.373 1.969 0 40 DDAB C[C@@H](Nc1cccc(N2CCOCC2)c1)C(=O)N1CCOCC1 56206365 FPXORVAFCRFLQT-CQSZACIVSA-N 319.405 1.182 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1CCC(=O)N1 3268450 XZONRKFRCLGMTA-GFCCVEGCSA-N 300.314 1.481 0 40 DDAB CC(=O)N(C)CC(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C 57252996 IVRJDLDTRXQIJF-CYBMUJFWSA-N 306.410 1.610 0 40 DDAB CN(C)C(=O)C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 83844003 SQGMYVDZMVGUQI-HUUCEWRRSA-N 319.405 1.372 0 40 DDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCCO1 27393755 WSYNLDWLGGLSSY-LBPRGKRZSA-N 315.373 1.541 0 40 DDAB CCCn1c(=O)n(CC(=O)NC[C@H]2CCCO2)c2ccccc21 27396051 PHPSEWWAOUYHOX-CYBMUJFWSA-N 317.389 1.508 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 10044235 WVTYKJYBRIXJTO-CQSZACIVSA-N 320.370 1.200 0 40 DDAB CC1(C)CC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 58167888 MZTBBHZFPVJONM-UHFFFAOYSA-N 311.359 1.180 0 40 DDAB C[C@@]1(NC(=O)CCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 44867723 UFKJVQLHWYGOBH-MRXNPFEDSA-N 320.414 1.794 0 40 DDAB COCCCNC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C 51317752 WFRRRHUBAWETCG-UHFFFAOYSA-N 306.341 1.790 0 40 DDAB CCN(CC(=O)NC)C(=O)c1cccc(CN2CCCC2)c1 58210762 QKQPORXRKJGGKJ-UHFFFAOYSA-N 303.406 1.491 0 40 DDAB CCCOCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 58289758 FORLCDBVRNJMJV-UHFFFAOYSA-N 311.426 1.600 0 40 DDAB Cc1cc([C@@H]2CCCN2CCn2nc3ccccn3c2=O)on1 44975806 UHBHLAYVTOTZRY-ZDUSSCGKSA-N 313.361 1.630 0 40 DDAB O=C(NC[C@@H]1Cc2ccccc21)c1ccnc(-n2cncn2)c1 58314189 JOHBEBWHIKPHGT-AWEZNQCLSA-N 305.341 1.732 0 40 DDAB C[C@]1(NC(=O)c2cnn(-c3ccccc3)c2)CCS(=O)(=O)C1 12751799 KGWYGAXUEWMFJI-HNNXBMFYSA-N 319.386 1.179 0 40 DDAB COc1ccc(CCNC(=O)CN2CCC(CO)CC2)cc1 46090857 MZKKGMHNDUENHQ-UHFFFAOYSA-N 306.406 1.058 0 40 DDAB CS(=O)(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1 29679882 AVPUPRSAOKIUFM-UHFFFAOYSA-N 311.190 1.272 0 40 DDAB C[C@H](CNC(=O)c1cc(Br)c[nH]1)N1CCOCC1 29959959 LSSROODBFPBJHG-SECBINFHSA-N 316.199 1.228 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)NCc2ccccc2)C[C@@H](C)O1 12981884 GJRNDXMGYPMHFU-BETUJISGSA-N 305.378 1.122 0 40 DDAB Cc1cccc(CNC(=O)NCCCN(C)S(C)(=O)=O)c1 48758836 AGIVMLXVSCJHAL-UHFFFAOYSA-N 313.423 1.076 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCN(c3nccs3)CC2)CC1 65172131 QIJJTFUTUJCIMV-OAHLLOKOSA-N 324.494 1.358 0 40 DDAB CC(C)c1nnc2n1C[C@H](NC(=O)CC[C@H]1CCCO1)CC2 65475821 ANUAOHLDAWOJDW-CHWSQXEVSA-N 306.410 1.792 0 40 DDAB CCc1noc([C@H](C)N2CCN(c3nccc(OC)n3)CC2)n1 65623684 QFJFLIHQEZIIOI-NSHDSACASA-N 318.381 1.314 0 40 DDAB CCCCS(=O)(=O)N1CCOC[C@H]1c1noc(C(C)C)n1 96000563 WLMBAMGIZBSLTO-NSHDSACASA-N 317.411 1.696 0 40 DDAB CCn1ncc(C2=NO[C@@H](C(=O)NCc3ccco3)C2)c1C 6804870 UNCDSYMEPWXMBU-CQSZACIVSA-N 302.334 1.614 0 40 DDAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc2oc(=O)[nH]c2c1 67159911 SUWZDXSBTSZZLV-UHFFFAOYSA-N 307.306 1.584 0 40 DDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(SC)cc1 20943783 FDYIOJNASSQLBH-CYBMUJFWSA-N 308.403 1.272 0 40 DDAB Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)no1 67810587 UNTRJGASUISLEN-LBPRGKRZSA-N 309.366 1.999 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 8249428 MGCDCMDMHIBFEU-RXMQYKEDSA-N 301.397 1.049 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCC[C@H]1c1cccc(F)c1 96459689 MAONEDWPAABVFD-LBPRGKRZSA-N 300.355 1.038 0 40 DDAB COc1ccc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 69485080 YYCCLBRVLRSSHL-SNVBAGLBSA-N 318.333 1.510 0 40 DDAB CC(C)c1noc([C@H](C)N2CCN([C@@H]3CCOC3=O)CC2)n1 69414751 BDPYKBWKNQYGJI-NWDGAFQWSA-N 308.382 1.187 0 40 DDAB CCc1nnc2n1CCN(C(=O)CCn1nc(C)cc1C)C2 69489201 OSIHFKUJVWTCCO-UHFFFAOYSA-N 302.382 1.086 0 40 DDAB CN1CCC[C@H](CSc2nnc(SCC(N)=O)s2)C1 69538416 HXEAYOQLCJTCLL-QMMMGPOBSA-N 318.493 1.549 0 40 DDAB Cc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)on1 69510775 WJQUYKCVMXAAHC-UHFFFAOYSA-N 303.366 1.065 0 40 DDAB CC1CCN(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 69657611 MKMCDRIPUQOWFR-AWEZNQCLSA-N 315.483 1.570 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2nncs2)c1 71875923 HCASKJUMNOFTRK-NSHDSACASA-N 306.395 1.146 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c1 71878644 FXKNNMZHSLMOKG-AWEZNQCLSA-N 316.409 1.635 0 40 DDAB O=C1[C@H](NS(=O)(=O)CCC2CC2)CCN1Cc1ccccc1 92299467 CCXBNWQYOSYDOC-OAHLLOKOSA-N 322.430 1.507 0 40 DDAB C[C@@H](CNC(=O)C(C)(C)N(C)C)N1CCc2ccccc2C1 84638284 PSBDLWLHQSJFTA-AWEZNQCLSA-N 303.450 1.890 0 40 DDAB COCCn1cc(NC(=O)Nc2cnn(CC(F)F)c2)cn1 72286958 GLVVAMWKIWMQHF-UHFFFAOYSA-N 314.296 1.635 0 40 DDAB C[C@@H]1CN(C(=O)c2ncccc2O)CCN1C(=O)OC(C)(C)C 95962495 SWRPYDQJIKYCRV-LLVKDONJSA-N 321.377 1.869 0 40 DDAB CC1(C)CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)C1 95997715 IDDYMLJYRBQMIE-CHWSQXEVSA-N 320.414 1.949 0 40 DDAB Cc1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)no1 95955565 JMQKATHARQLPDF-UHFFFAOYSA-N 301.350 1.541 0 40 DDAB CCOc1ccc(-c2cn(C3CN(C(=O)COC)C3)nn2)cc1 95998044 PBLZDYRDBVOPHE-UHFFFAOYSA-N 316.361 1.374 0 40 DDAB CN1CCNC(=O)C12CCN(C(=O)C[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 67727050 PPSKJQAWMNKASS-ILXRZTDVSA-N 317.433 1.012 0 40 DDAB O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1CCn1cncn1 75076882 NVXRUQQJQBQYOH-GFCCVEGCSA-N 302.309 1.035 0 40 DDAB O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCCCCCO 89834770 CDQORVKLEWVJQL-UHFFFAOYSA-N 304.346 1.530 0 40 DDAB CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2c(C)nn(CC)c2C)C1 76058451 MPLCONALSLBJMR-GWCFXTLKSA-N 314.455 1.138 0 40 DDAB CCn1ncc2c1CCC[C@H]2NCc1c(C)nn(CCO)c1C 76042841 RGXSBFIRXMHQDY-MRXNPFEDSA-N 317.437 1.876 0 40 DDAB O=C(C1=CCCC1)N1Cc2cncn2[C@@H](CN2CCCC2)C1 306132032 KVYKADSYWXSRSV-INIZCTEOSA-N 300.406 1.973 0 40 DDAB NC(=O)CSc1nnc(-c2ccccc2)n1C[C@@H]1CCCO1 35292010 MPQFQBLCAGAVDJ-LBPRGKRZSA-N 318.402 1.702 0 40 DDAB Cc1cnc(C[C@H]2COCCN(C(=O)c3cncs3)C2)cn1 72388259 YYRBJOQUFMDOSZ-GFCCVEGCSA-N 318.402 1.573 0 40 DDAB CCC(N)(CC)CNS(=O)(=O)Cc1ccc(Cl)nc1 124765230 ZANOCUOLNZNXAR-UHFFFAOYSA-N 305.831 1.672 0 40 DDAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC 217705407 KWLYEFPGRMONDZ-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB Cc1cc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)no1 30682159 WAFGFSPTYTYCEH-UHFFFAOYSA-N 323.374 1.627 0 40 DDAB Cc1nc([C@H]2CCN2C(=O)c2cscn2)cc(N(C)C)n1 72387586 WQHZEBHBXFKBIB-GFCCVEGCSA-N 303.391 1.895 0 40 DDAB Cn1c(CSCc2ccc(Cl)nc2)cc(=O)n(C)c1=O 78555663 YDVAOSRTYIBLJA-UHFFFAOYSA-N 311.794 1.566 0 40 DDAB Cc1ccc(N2CCC[C@H](N3CCS(=O)CC3)C2=O)cc1 75720598 SKBBGSNCHORCMS-HNNXBMFYSA-N 306.431 1.555 0 40 DDAB Cn1cc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)ccc1=O 130715278 IRWKDRJRECXCQH-CQSZACIVSA-N 312.373 1.179 0 40 DDAB CN1CC[C@H](NC(=O)c2ccccc2NCc2cccnc2)C1=O 81785823 WPGWSYAWMMYVFE-INIZCTEOSA-N 324.384 1.654 0 40 DDAB COC(=O)C[C@H](NC(=O)/C(C)=C(/C)C(=O)O)c1cccc(F)c1 199401743 OOZWUYWDAMDYHX-XPSMFNQNSA-N 323.320 1.967 0 40 DDAB Cc1nc(C(=O)N2CCC[C@H](Oc3cnccn3)C2)cs1 225468204 KSOFPXRRXXECJR-NSHDSACASA-N 304.375 1.925 0 40 DDAB COCC(=O)NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 96112855 WHVPJKCKRIHNDK-ZDUSSCGKSA-N 301.346 1.212 0 40 DDAB biogenic,in-vitro Cc1nc([C@H]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3O2)no1 96070579 ZWXBKRXBRKSDRK-ZMLRMANQSA-N 320.374 1.827 0 40 DDAB O=C(CC1CC1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255742 MSIVLXHWHYRSDF-UHFFFAOYSA-N 316.405 1.041 0 40 DDAB c1cnc(N2CC[C@]3(COCCN(Cc4ccoc4)C3)C2)nc1 96062499 NLERZACRCTXHQR-QGZVFWFLSA-N 314.389 1.799 0 40 DDAB CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)[nH]n1 96483095 WTFMTSGNDPJOKA-GFCCVEGCSA-N 313.361 1.012 0 40 DDAB CN1CCN(C(=O)CSc2nc(O)c3ccccc3n2)CC1 96640806 DOEHIPJSCFHQKP-UHFFFAOYSA-N 318.402 1.202 0 40 DDAB c1cnc(N2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)nc1 96040938 GDHYRGOHNXKZQD-PMPSAXMXSA-N 312.373 1.825 0 40 DDAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2cccnc2)Oc2ccccc21 96111723 KKNDTTJEKBPPGT-ZFWWWQNUSA-N 323.352 1.720 0 40 DDAB biogenic,in-vitro C[C@H]1CCCCN1C(=O)CN(C)[C@H](C(N)=O)c1cccc(F)c1 96445697 ZBMOHCXWKGKHDQ-LRDDRELGSA-N 321.396 1.685 0 40 DDAB Cc1cccc(C[C@H]2COCCN(C(=O)C3CCOCC3)C2)n1 257265891 MATJZHAYLOONGQ-OAHLLOKOSA-N 318.417 1.834 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)C1CCCCC1 257268310 MLCHWCQAPACKJG-INIZCTEOSA-N 302.378 1.360 0 40 DDAB Cn1ccnc1-c1cnc(C[C@H]2CCN(c3cnccn3)C2)cn1 257272061 NAXVQLQJJQYCNA-CYBMUJFWSA-N 321.388 1.736 0 40 DDAB COc1ccc(F)cc1C(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257312003 ULZKBBOTKYUGJM-HOCLYGCPSA-N 309.337 1.590 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1ccccc1 91452303 KEWXCQHDONJYPL-JKSUJKDBSA-N 310.353 1.951 0 40 DDAB CC1(C)CN(C[C@@](C)(O)C(=O)O)C[C@@H](COc2ccccc2)O1 579496620 MOEWZICJSKZSDX-WMLDXEAASA-N 323.389 1.380 0 40 DDAB COCCOc1cccc(C(=O)N2CCC(=O)N(C)CC2)c1 585141799 GCVBLIJDYKTLFE-UHFFFAOYSA-N 306.362 1.016 0 40 DDAB OC[C@]1(Cc2ccccc2F)CN(Cc2cc[nH]n2)CCO1 585275524 FVHHGFZUAYYIQB-INIZCTEOSA-N 305.353 1.355 0 40 DDAB COc1cc(C(=O)N[C@H](C)Cn2cccn2)cc2c1OCCO2 31395075 ZFBZWACKVAGWAO-LLVKDONJSA-N 317.345 1.481 0 40 DDAB Cn1nncc1NC(=O)N1CCn2nc(C(C)(C)C)cc2C1 931277402 PRGKRNLDAMZZJI-UHFFFAOYSA-N 303.370 1.357 0 40 DDAB CS(=O)(=O)c1ccc(OCCCN2CCC(O)CC2)cc1 71842040 FLULOXFWBCSLRQ-UHFFFAOYSA-N 313.419 1.316 0 40 DDAB CCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCOCC1 48301858 QPFSWGVTTQJGFD-LBPRGKRZSA-N 318.464 1.451 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC3(CC2)OCCO3)c1C 40511246 PYVJAOWLZFBXMN-UHFFFAOYSA-N 320.389 1.856 0 40 DDAB Cc1c(C(=O)N2CCO[C@@H]3CCC[C@H]32)cnn1-c1ccccn1 56194910 IUGGCFBKHGNALH-HUUCEWRRSA-N 312.373 1.969 0 40 DDAB Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C(=O)O)C(C)C)c2n1 75125352 QDQBSVFOWJJNKP-GFCCVEGCSA-N 304.350 1.494 0 40 DDAB Cc1nc2n(n1)C[C@@H](NC[C@H](O)c1ccccc1Cl)CC2 75132689 PHGPQYDDBHUXLR-FZMZJTMJSA-N 306.797 1.878 0 40 DDAB Cc1c(C(=O)NCCn2cccnc2=O)cnn1-c1ccccc1 675008406 WPHCUOPOKXIIRL-UHFFFAOYSA-N 323.356 1.167 0 40 DDAB O=C(c1ccc(Cl)s1)N1CCN(C[C@H](O)C2CC2)CC1 85436697 JNTVAPQAYQDNGZ-NSHDSACASA-N 314.838 1.930 0 40 DDAB Cc1ccc(/C=C/C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)o1 98010409 APEHXHXKVBLYIG-GJBLVYBDSA-N 314.345 1.256 0 40 DDAB COCCN1C(=O)CC2(CCN(CC3CC3)CC2)n2nccc21 1772596480 KURCVWXVUSOOHP-UHFFFAOYSA-N 318.421 1.467 0 40 DDAB O=C(Cn1nc2c3ccccc3ncn2c1=O)N1CCCCC1 12183015 OYKMSHSSZSLQNC-UHFFFAOYSA-N 311.345 1.057 0 40 DDAB CCOC(=O)C(=CNC(=S)c1cccnc1)C(=O)OCC 13000836 NZIQLGFKRRJJKQ-UHFFFAOYSA-N 308.359 1.357 0 40 DDAB Cc1csc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)n1 13002780 ZTABHZBNVGGVRJ-UHFFFAOYSA-N 311.388 1.660 0 40 DDAB NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccs1 15315187 VCPKVNSMAHYOEY-UHFFFAOYSA-N 310.400 1.424 0 40 DDAB C1CNC[C@@H](CCc2nc(N3CCCC3)nc3c2CNCC3)C1 19015012 FCZGGDMTTUQECS-CQSZACIVSA-N 315.465 1.655 0 40 DDAB COc1cc(OC)c(NC(=O)C2=C(O)COC2=O)cc1Cl 100326736 MMKVABPAYWPBOD-UHFFFAOYSA-N 313.693 1.665 0 40 DDAB O=C(c1ccc2nn[nH]c2c1)N1CCO[C@H](c2ccncc2)C1 1848356214 VXFUUMHETUKIAD-HNNXBMFYSA-N 309.329 1.567 0 40 DDAB CCc1cnc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc1 1888854715 VVFRGGQPRMAESD-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB CC(C)(C)NC(=O)NC1CN(c2ncnc3ccsc23)C1 1888856682 XGNNHEUMQOTJMF-UHFFFAOYSA-N 305.407 1.978 0 40 DDAB c1cn2nc(N3CCN(c4ccn5nccc5n4)CC3)ccc2n1 1888914130 NZJVIEKEVPDLCZ-UHFFFAOYSA-N 320.360 1.099 0 40 DDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccnc1 32247801 RSYYOIAOWWYHMQ-QGZVFWFLSA-N 311.385 1.712 0 40 DDAB CCN1CCN(S(=O)(=O)c2cc(C)c(C(=O)O)s2)CC1 37238689 NAADUOCBBLGSGH-UHFFFAOYSA-N 318.420 1.081 0 40 DDAB O=C(c1cc(O)ncn1)N1CCN(c2ccccc2Cl)CC1 239611807 FETOZYOHMNOGEM-UHFFFAOYSA-N 318.764 1.798 0 40 DDAB CNC(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037905604 OSOMNSSOIRTOSP-INIZCTEOSA-N 310.369 1.168 0 40 DDAB CN1C[C@@]2(CCN(C(=O)Cc3cccc(F)c3)C2)COCC1=O 2037985842 XZXVILGHLJAJRJ-QGZVFWFLSA-N 320.364 1.076 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(C)o2)C1 2055771922 JNGGUXBTNWWTHG-INIZCTEOSA-N 316.361 1.162 0 40 DDAB O=C([C@@H]1CN(c2ccc(F)cn2)CCO1)N1CCSCC1 2298183950 DASAAHUULJANOU-LBPRGKRZSA-N 311.382 1.001 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)c1cc(Cl)ccc1Cl 107286598 RWVHXGVXFCVOIG-FDOIEUKUSA-N 304.173 1.855 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3NN=C(C(=O)c4ccco4)[C@@H]3C2=O)cc1 100112569 JCTTVFUJJZCZTB-GXTWGEPZSA-N 323.308 1.288 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1ccccc1 40267161 WPSKFVRHQLLTAB-UHFFFAOYSA-N 300.362 1.334 0 40 DDAB COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 38710 YDSSOOIPPDUIDZ-UHFFFAOYSA-N 310.375 1.618 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 40536159 FWTKGMYAIBVCGU-GFCCVEGCSA-N 314.389 1.870 0 40 DDAB O=C1CN(C(=O)c2ccc(COc3ccccc3F)o2)CCN1 40535437 BQGKKBRTXOXVDX-UHFFFAOYSA-N 318.304 1.570 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)NC[C@H]1CCOC1 41377813 YJXATIOCHVTFPE-GFCCVEGCSA-N 304.346 1.527 0 40 DDAB C[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 21323637 KPYYUDAESJZIMF-CHWSQXEVSA-N 312.435 1.546 0 40 DDAB Cn1c(=O)n(C[C@@H](O)COCc2cccs2)c2ccccc21 32760058 GYTSPSKLDNQMQI-GFCCVEGCSA-N 318.398 1.979 0 40 DDAB Cc1nnc(CN2CCN(C(=O)Cc3ccccc3)CC2)n1C 52780651 VKBNSIGRKSZVJG-UHFFFAOYSA-N 313.405 1.010 0 40 DDAB CC[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1OC 41871793 RYMJYNYVGQGUMJ-LBPRGKRZSA-N 314.407 1.154 0 40 DDAB CCONC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 22874480 SMFLMYVWNWPISQ-ZDUSSCGKSA-N 312.391 1.298 0 40 DDAB c1ccc2c(N3CCOCC3)nc(N3CCOCC3)nc2c1 280892 WHNJDAQFFZAULV-UHFFFAOYSA-N 300.362 1.303 0 40 DDAB NC(=O)CN(CC(=O)N1CCc2ccccc2C1)C1CCCC1 47274370 GEGHVZSXRMXSQE-UHFFFAOYSA-N 315.417 1.301 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN(C[C@H](O)c3ccccc3)C2)C1=O 84597324 KPXIEDDTJVGWOF-YOEHRIQHSA-N 317.389 1.125 0 40 DDAB C[C@@H](CCc1ccccc1F)C(=O)NCC(=O)Nc1cn[nH]c1 72302829 AIVZMMVOWCDKRU-NSHDSACASA-N 318.352 1.872 0 40 DDAB COC(=O)c1ncn(Cc2sccc2Br)n1 78995498 CHIUQGAADAQIGE-UHFFFAOYSA-N 302.153 1.937 0 40 DDAB O=C(CN1CC[C@@H](Oc2ccccc2)C1)NC[C@@H]1CCCO1 79355221 HZIVKCOKAPTZCF-JKSUJKDBSA-N 304.390 1.435 0 40 DDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2)s1)c1ccncc1 104548784 TUOFMNOEHGQZSQ-XCMCHEKJSA-N 308.362 1.324 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)N1c2ccccc2C[C@H]1C 4807650 CEJQASOWCYIFSY-NXEZZACHSA-N 303.391 1.669 0 40 DDAB CCNC(=O)C1CCN(C(=O)NCCc2ccc(F)cc2)CC1 24692955 FWPKTKLYFJOLSN-UHFFFAOYSA-N 321.396 1.926 0 40 DDAB O=C(c1cc(Br)c[nH]1)N1CCC2(CC1)OCCO2 24997066 URHRRUXSJTZOJE-UHFFFAOYSA-N 315.167 1.756 0 40 DDAB Cc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1 8747721 MYIHJNZSNJYQIO-UHFFFAOYSA-N 323.404 1.540 0 40 DDAB FC(F)(F)c1nnc2n1CCN(c1cc(C3CC3)ncn1)C2 641391494 PLFRYCAOVZNXQJ-UHFFFAOYSA-N 310.283 1.985 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCc3c(Cl)cccc32)C1 56902420 RPQLVDMDDRQRHS-NOZJJQNGSA-N 307.781 1.844 0 40 DDAB Cc1cc(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)on1 56960277 RCGXNTPEWZLWNM-SNVBAGLBSA-N 323.374 1.846 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 44228629 NXWRIANGYMIIGC-ZDUSSCGKSA-N 300.362 1.533 0 40 DDAB CC(=O)N[C@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 95951786 XXBXALVCPVSZRE-HOTGVXAUSA-N 303.406 1.416 0 40 DDAB C[C@@H](NC(=O)CN1CCNC(=O)C1)c1cccc2ccccc12 57607764 QRGUFYUYZNGNQE-CYBMUJFWSA-N 311.385 1.449 0 40 DDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccco1 57878744 DMXAOQCWPBIBNV-AWEZNQCLSA-N 319.361 1.547 0 40 DDAB Cc1ccn2c(=O)c(C(=O)N(CCN(C)C)C(C)C)cnc2c1 95972511 DIDWXABIJISOER-UHFFFAOYSA-N 316.405 1.415 0 40 DDAB CCCOCC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 58086759 PLGLYPPCUMHHEJ-UHFFFAOYSA-N 324.396 1.905 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)C1=NN(C)C(=O)CC1 12681201 NWNRXJCODQFWFM-UHFFFAOYSA-N 318.333 1.200 0 40 DDAB CN(C)C1=NC(=O)[C@@H](CC(=O)NCCc2ccccc2)S1 44893332 STJFBOPGBXAGHJ-GFCCVEGCSA-N 305.403 1.295 0 40 DDAB Cc1csc(CNC(=O)NCc2ccc(C(N)=O)cc2)n1 48262341 SGQYJNYCNCPFON-UHFFFAOYSA-N 304.375 1.550 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccnc(OC3CCCC3)c2)CN1 48221165 VRVWSSNCGWGUOL-ZDUSSCGKSA-N 317.389 1.545 0 40 DDAB COCCCNC(=S)Nc1ccc(N2CCOCC2)nc1 55031859 BFVCNVKJKDCYOV-UHFFFAOYSA-N 310.423 1.241 0 40 DDAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)[C@H]1CCCO1 27869898 TYRCVKPTFMAEEJ-GXSJLCMTSA-N 307.375 1.142 0 40 DDAB COc1cccc(CNCC(=O)NC(=O)NC2CCCC2)c1 58373174 XKBYIVIUMVPSQT-UHFFFAOYSA-N 305.378 1.553 0 40 DDAB CCOc1cc2c(cc1CNS(=O)(=O)N(C)C)O[C@H](C)C2 27960150 ZKQRZTQBNCXVCA-SNVBAGLBSA-N 314.407 1.305 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940972 GNCYSIVOIVRWQB-MNOVXSKESA-N 316.398 1.895 0 40 DDAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(OC)C(F)(F)F 2300569 APBIOOKLULOXFU-GFCCVEGCSA-N 305.252 1.885 0 40 DDAB CCN1CCN([C@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 101274096 UIRDESOAIIUAKG-HNNXBMFYSA-N 301.390 1.264 0 40 DDAB C[C@H]1CN(CCC(=O)Nc2sccc2C(N)=O)C[C@H](C)O1 28842757 APNXGVBNLCIGMF-UWVGGRQHSA-N 311.407 1.285 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)no1 46971843 PMIAOAVHBOMBHG-UKRRQHHQSA-N 322.409 1.378 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)CCC1=O 84779838 KFZOTYVVYUAQTC-LBPRGKRZSA-N 317.393 1.422 0 40 DDAB CS(=O)(=O)C[C@@H](NC(=O)NCc1ccco1)c1ccccc1 95439441 GSLZOPQZKCHYDT-CQSZACIVSA-N 322.386 1.865 0 40 DDAB Cc1noc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)n1 64333515 JYXTXGRNLXOPBT-ZETCQYMHSA-N 302.290 1.200 0 40 DDAB CN(Cc1ccc(SC(F)F)cc1)C(=O)Cn1cnnn1 64467411 CUVOTOIGKASLBW-UHFFFAOYSA-N 313.333 1.646 0 40 DDAB O=C1C[C@H](NS(=O)(=O)c2ccccc2)CN1c1ccccc1 5221790 CMFZITSFEMBNCK-ZDUSSCGKSA-N 316.382 1.770 0 40 DDAB COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O)cc1O 6484601 KQNGHARGJDXHKF-CVEARBPZSA-N 318.281 1.489 0 40 DDAB in-man,metabolite Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC[C@@H](CC(N)=O)C1 95434425 IIUDXZCKGHRESN-GWCFXTLKSA-N 322.409 1.692 0 40 DDAB Cc1noc2ncc(C(=O)NC[C@H]3CCN(C(C)C)C3)cc12 65608940 QPGNELTWESZPHE-GFCCVEGCSA-N 302.378 1.991 0 40 DDAB COCCS(=O)(=O)N(CC(C)C)C[C@@H](O)c1ccccc1 95461915 ULWZXGYQRLGOLL-OAHLLOKOSA-N 315.435 1.654 0 40 DDAB Cc1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 6552651 YDSTZOPIHRULTF-LBPRGKRZSA-N 313.444 1.699 0 40 DDAB COC(=O)c1ccc(NC(=S)NCCc2c[nH]cn2)cc1 4741443 WPEXHDQPGZELRR-UHFFFAOYSA-N 304.375 1.725 0 40 DDAB COCC(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4806317 LZRGDNUEMRTTKD-SFCYXTAJSA-N 309.406 1.897 0 40 DDAB C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cnn(C)c1 66934516 YXWIFUSMQUHOOR-WFASDCNBSA-N 321.402 1.571 0 40 DDAB CCN1C(=O)C[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1OC 4993877 SNPVIQKGQCLQJF-DOMZBBRYSA-N 306.362 1.359 0 40 DDAB CCc1ccc(N2C[C@H](C(=O)NC3CCNCC3)CC2=O)cc1 67245023 VERWEDIDIZKGOE-CQSZACIVSA-N 315.417 1.470 0 40 DDAB CN1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67284403 FECWEIYKZVSFTB-UHFFFAOYSA-N 304.329 1.075 0 40 DDAB CC(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 67366094 VDSLFNIALOHZEV-CYBMUJFWSA-N 318.373 1.446 0 40 DDAB Cc1nn(C(C)(C)C)c(=O)n1Cc1nc(-c2ccco2)no1 95997496 TYGLXHYSTGZZCH-UHFFFAOYSA-N 303.322 1.800 0 40 DDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)OC 15419790 OHABRBUFKNOVNG-UHFFFAOYSA-N 307.350 1.078 0 40 DDAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCCCCC1 7339666 KFEGJNHZFCWDJP-UHFFFAOYSA-N 310.419 1.905 0 40 DDAB COc1ccccc1CNC(=O)CNC(=O)c1cccc(F)c1 15739433 WTXHTVLYHGAXRW-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)CC2)cc1 68257774 HKMUYISROWLHPI-FZMZJTMJSA-N 315.373 1.243 0 40 DDAB COCCOCCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 96407385 JKKJVCGHOWPBTL-HNNXBMFYSA-N 324.396 1.964 0 40 DDAB C[C@@H]1CN(C(=O)NCCCOC[C@H]2CCCO2)CC(C)(C)O1 68543306 RJJDRTULUDRBTF-ZIAGYGMSSA-N 314.426 1.781 0 40 DDAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC(O)CC2)c1 16338465 QBFGEFPGAAOAED-LBPRGKRZSA-N 322.405 1.338 0 40 DDAB NC(=O)[C@@H]1CCCCN1S(=O)(=O)C1=Cc2ccccc2CC1 7987076 CYNCMWAAGXNMAJ-HNNXBMFYSA-N 320.414 1.643 0 40 DDAB Cc1nn(C)c2ncc(CN3CCN(c4ncccn4)CC3)cc12 69161154 UYDGFAAMAGTMFR-UHFFFAOYSA-N 323.404 1.389 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CN2CSCC2=O)c1 71865726 SKXYNSMDBQWQAF-CYBMUJFWSA-N 322.434 1.106 0 40 DDAB CCN1CCO[C@@H](CNCc2cc(OC)c3c(c2)OCO3)C1 71880814 YGNHOHQTKMRCHP-ZDUSSCGKSA-N 308.378 1.234 0 40 DDAB c1ccc(-n2ncc(CN3CCCC[C@@H]3Cn3cncn3)n2)cc1 71876374 PMPJXCFPEZRXIG-QGZVFWFLSA-N 323.404 1.914 0 40 DDAB COc1ccccc1C[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1 71819723 QRFZYLZGBIIZBQ-YPMHNXCESA-N 305.378 1.143 0 40 DDAB CC(C)c1noc([C@@H](C)N2CCN([C@H]3CCOC3=O)CC2)n1 69414752 BDPYKBWKNQYGJI-NEPJUHHUSA-N 308.382 1.187 0 40 DDAB CN1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 69433846 MJAPJHMOEINKCV-NSHDSACASA-N 315.439 1.070 0 40 DDAB CC1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 17355611 RVDPNHNTXUPXJZ-UHFFFAOYSA-N 304.346 1.404 0 40 DDAB Cc1cccc(CS(=O)(=O)N[C@H](C)CN2CCOCC2)c1 69699244 GWQAXQQBCWMHRF-CQSZACIVSA-N 312.435 1.135 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)Cc2cccs2)CC1 69845973 IAVOQRVJJKVSRJ-UHFFFAOYSA-N 318.446 1.759 0 40 DDAB COc1cc(-c2noc(Cn3cncn3)n2)ccc1OC(F)F 69846992 RJHDYTDDBLYHEV-UHFFFAOYSA-N 323.259 1.986 0 40 DDAB COCc1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 69894632 UQRGAQJMDHPSPA-CQSZACIVSA-N 305.378 1.496 0 40 DDAB O=C(Cc1ccc(O)cc1)N1CCN(C(=O)c2ccccc2)CC1 98080053 OTPPVYCZIKYZKH-UHFFFAOYSA-N 324.380 1.919 0 40 DDAB O=C(Nc1cc(O)nc2nc(-c3ccco3)nn12)c1ccco1 8970014 ASJFMONGXWYQHC-UHFFFAOYSA-N 311.257 1.935 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)Nc3nnc(C)s3)C2)n[nH]1 84111095 AFIUYIOJZMXLAN-LLVKDONJSA-N 320.422 1.696 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2 72296623 OWZQYFWDRZYUFD-GXTWGEPZSA-N 315.348 1.765 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)c2cnccn2)c(C)nn1C 72234237 SKYKLGIUBBNNBE-LBPRGKRZSA-N 301.350 1.504 0 40 DDAB CC(C)c1nc([C@H]2CCCN(C(=O)c3nccnc3N)C2)no1 72232634 KEBPGIXIVCCQEE-JTQLQIEISA-N 316.365 1.585 0 40 DDAB CC(C)C[C@H](O)CNC(=O)Nc1ccc2c(c1)oc(=O)n2C 72294238 LSBCSTXJCJDFBR-NSHDSACASA-N 307.350 1.660 0 40 DDAB C[C@]1(C(=O)NCCNC(=O)c2ccccc2Cl)CCCO1 75110799 OFAMBVVDXMACCY-OAHLLOKOSA-N 310.781 1.755 0 40 DDAB COCCN(Cc1ccccn1)C(=O)c1ccc(C)[nH]c1=O 75123021 ZRASREUUIBNDLV-UHFFFAOYSA-N 301.346 1.367 0 40 DDAB Cc1cc(NCc2nsc(N(C)C)n2)c(C(N)=O)cc1F 89660741 ZBOXOMLLZYHVDH-UHFFFAOYSA-N 309.370 1.763 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)cc1 89938529 SEODZGCXHGPNQC-CQSZACIVSA-N 303.406 1.299 0 40 DDAB CN1CCN(C2CCN(CCOc3ccccc3)CC2)C1=O 75604000 ICEXVANBOPTUAL-UHFFFAOYSA-N 303.406 1.897 0 40 DDAB COc1cccc2c(C)c(C(=O)N3CCN(CCO)CC3)oc12 75604754 YOVIXXIPVLMMSI-UHFFFAOYSA-N 318.373 1.500 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)Nc1ncnc2[nH]cnc12 28249473 DZODHOJNYWWJNU-UHFFFAOYSA-N 319.346 1.471 0 40 DDAB C[C@@H](CNC(=O)c1nccnc1C(N)=O)c1ccc(F)c(F)c1 74183604 COXGJQBSGWCDSG-QMMMGPOBSA-N 320.299 1.387 0 40 DDAB CNCCNC(=O)c1cc(COc2ccc(F)cc2F)on1 67788607 JGTPMFJUAQNQQN-UHFFFAOYSA-N 311.288 1.481 0 40 DDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)cc1 408723088 MSZMPUDNYCQYOT-VMUDFCTBSA-N 313.309 1.445 0 40 DDAB Cc1cccc(CN2CCOC[C@H](CC(=O)N(C)C)[C@H]2C)n1 306143198 XVSBMTFFVGDFJO-CABCVRRESA-N 305.422 1.705 0 40 DDAB O=C([C@H](O)C1CCCCC1)N1CCC[C@H]1c1ccc(O)nn1 530077280 BRVBEDITNMCJND-DZGCQCFKSA-N 305.378 1.787 0 40 DDAB Cc1cc(C)nc(N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)n1 72356770 YZQQPKNWWABBAR-QGZVFWFLSA-N 318.421 1.748 0 40 DDAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(N)(=O)=O 217404845 PBUQBFYBJHXAPU-UHFFFAOYSA-N 316.379 1.259 0 40 DDAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1c(C)noc1C 70635704 WQPHMMMAJXTRNY-SNVBAGLBSA-N 316.404 1.673 0 40 DDAB COc1ccc2c(c1)[C@@H](CCn1c(C)cc(=O)cc1O)C(=O)N2 1547205993 VIXLJRVAQUVKEH-CYBMUJFWSA-N 314.341 1.997 0 40 DDAB CN1CCC(c2ccc(N[C@@H]3CCS(=O)(=O)C3)cn2)CC1 72365189 IHZGCEYYNMIUGL-CQSZACIVSA-N 309.435 1.490 0 40 DDAB COc1ccc2c(c1)N(CC(=O)NCc1ccco1)CCO2 75954857 KCJOZJUFUOIPQR-UHFFFAOYSA-N 302.330 1.803 0 40 DDAB CN(C)C(=O)Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 71285111 QLWOAIMSJKYMEJ-KBPBESRZSA-N 318.373 1.613 0 40 DDAB O=c1c2ccccc2[nH]c(=S)n1C[C@H]1CCS(=O)(=O)C1 44993357 AQZHKZHSANJVSB-SECBINFHSA-N 310.400 1.494 0 40 DDAB O=C(CCN1C(=O)CCC1=O)O[C@@H]1CCc2ccccc2C1 78446339 SFFDULAVEXVDOY-CQSZACIVSA-N 301.342 1.626 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)n1cc2c(n1)c(C)nn2C 40715000 FHHMCMOLUSTWFH-NSHDSACASA-N 315.381 1.628 0 40 DDAB Cn1nccc1-c1ccccc1CN1CCC[C@@](O)(CO)C1 574735956 TZKICAOBWKSXOV-KRWDZBQOSA-N 301.390 1.406 0 40 DDAB CCN1CCO[C@H](C(=O)NCCCNc2ccc(C)cn2)C1 85383576 MZTZEXLRIWCOTC-AWEZNQCLSA-N 306.410 1.029 0 40 DDAB CCN(C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 195531000 MOQNTXFFKGRGMZ-KGLIPLIRSA-N 303.472 1.237 0 40 DDAB COc1ccccc1OCC(=O)N1CCC2(CC1)OCCCO2 49705914 XXONHHSDUTXNGP-UHFFFAOYSA-N 321.373 1.830 0 40 DDAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](C(F)(F)F)CC2=O 85399278 NUYXOVCXRNOBFW-ZCFIWIBFSA-N 303.236 1.859 0 40 DDAB c1cncc(CO[C@@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)c1 96055041 PZASUWAVVOYLQC-RBUKOAKNSA-N 324.428 1.952 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)N4CCCC4)C[C@H]3O2)n1 96220336 CWUZALQXVMFNOR-RWMBFGLXSA-N 306.366 1.226 0 40 DDAB CCOC[C@@H]1CN(c2cc(OC)ncn2)Cc2cn(C)nc21 96197987 KXEIWZOHDBSNNG-LBPRGKRZSA-N 303.366 1.359 0 40 DDAB CCNC(=O)C1CN(C(=O)Cc2c(Cl)cccc2OC)C1 97379135 GQTRAJKCGYANMN-UHFFFAOYSA-N 310.781 1.486 0 40 DDAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNS(C)(=O)=O)C3)cc1 96269272 PLKGGZWHBRVQCT-ZDUSSCGKSA-N 321.402 1.307 0 40 DDAB biogenic,in-vitro CCS(=O)(=O)c1cccc(CC(=O)/N=c2/sccn2C)c1 97377763 ZTQALERYYVJUNM-CCEZHUSRSA-N 324.427 1.550 0 40 DDAB CC(=O)N1CCOCC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 96078294 BGPORMJHSCNQPL-UHFFFAOYSA-N 305.378 1.116 0 40 DDAB CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccncc3)C2)C1 96208559 LOXOWQVRVZSLCX-NVXWUHKLSA-N 318.421 1.476 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1 96181585 IORIWPABUKOWAU-IAGOWNOFSA-N 316.401 1.906 0 40 DDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1CC1CCOCC1 96062117 MYGNKQBRRGULLZ-ZDUSSCGKSA-N 316.409 1.326 0 40 DDAB NC(=O)C[C@@H](Nc1ncc(Cl)cc1F)C1CCOCC1 96485209 LSHMGWVNAUATNL-LLVKDONJSA-N 301.749 1.957 0 40 DDAB Cn1ccnc1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1 248092088 CIBAYIBAHRKOSD-UHFFFAOYSA-N 312.377 1.317 0 40 DDAB O=C(NCCc1ccccn1)c1ccc(-c2cncnc2)nc1 257217253 CYFHWIXMZHTVAC-UHFFFAOYSA-N 305.341 1.906 0 40 DDAB CCN1CCN(c2nn(-c3ccccc3)nc2C(=O)O)CC1 256046876 IPJKLIILQZJDQA-UHFFFAOYSA-N 301.350 1.107 0 40 DDAB Cc1ccnn1CCC(=O)N1CC[C@@H]2[C@H](CCCC(=O)N2C)C1 257208776 BNOCEZKYAIBNOG-HUUCEWRRSA-N 318.421 1.441 0 40 DDAB Cc1nc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)co1 257271655 MZFONYBNZDISAZ-ZDUSSCGKSA-N 316.361 1.555 0 40 DDAB COc1ccc(OCCc2cc([C@@H]3CNCCO3)nn2C)cc1 257260632 LDROQDBGHPFKCI-KRWDZBQOSA-N 317.389 1.711 0 40 DDAB COc1c2ccc(C(=O)NCCc3ccncc3)cc2nn1C 85558334 JJJIJQKMTSIULC-UHFFFAOYSA-N 310.357 1.949 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)n1 257342277 ZNXUGPGZAZARGQ-LBPRGKRZSA-N 315.329 1.661 0 40 DDAB O=C1CO[C@H]2CN(Cc3cncnc3)C[C@@H]2N1c1ccccc1 257340102 ZEOJMYGPJMRDQV-HOTGVXAUSA-N 310.357 1.093 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257271514 MYQCPQLPTZGWRC-CYBMUJFWSA-N 310.361 1.749 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)O)CC1 262430662 MHIDBNHUINBLAF-SNVBAGLBSA-N 308.334 1.111 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)C3CCC3)CO2)C1 575405984 LPNCCGREEAABGX-UMVBOHGHSA-N 320.433 1.566 0 40 DDAB C[C@H]1C[C@@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn21 663126457 UWKYFWLBBYPAPV-JOYOIKCWSA-N 316.317 1.177 0 40 DDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H]1CCCCNC1=O 44968066 XJSGNAPFIVHVIV-MFKMUULPSA-N 323.368 1.863 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC2(CCCCCC2)C1 76089199 UTGFNFOWSNZVLZ-CYBMUJFWSA-N 316.467 1.887 0 40 DDAB O=C(NC1CC1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 61305798 FNSQAEBKHNKJTO-QPJJXVBHSA-N 313.401 1.123 0 40 DDAB CCCn1cc(CNC[C@H]2CCO[C@H]2c2cnn(C)c2)cn1 84760634 GPNDBSQRSMHFAJ-GDBMZVCRSA-N 303.410 1.894 0 40 DDAB O=C(Cn1c(-c2ccccn2)noc1=O)NC1CCCCC1 58280448 GCXFEGZKEXNSEE-UHFFFAOYSA-N 302.334 1.347 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN(CCOc3ccccc3)C2)C1=O 84597362 MVMJOJYMGYHKBH-KRWDZBQOSA-N 317.389 1.470 0 40 DDAB O=C([C@H]1CCCN(c2nc(C3CC3)ns2)C1)N1CCOCC1 80767312 MPYBMYJLCFWELJ-LBPRGKRZSA-N 322.434 1.491 0 40 DDAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 5018810 YAFYVEZTBNEPKO-WEVVVXLNSA-N 310.693 1.326 0 40 DDAB NC(=O)CSc1ccc(NC(=O)c2ccccc2F)nn1 11738811 DJTAEGUBFFYMTJ-UHFFFAOYSA-N 306.322 1.445 0 40 DDAB NC(=O)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)O 16887861 AQVMYSDRWMCUIU-LBPRGKRZSA-N 301.302 1.290 0 40 DDAB CCc1nc2n(n1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 17052415 CIIMQZAGKJVDNV-GFCCVEGCSA-N 313.361 1.083 0 40 DDAB COc1ccccc1N1CC[C@H](NC(=O)C(F)(F)Cl)C1=O 153095955 OSIRSFQVXWUALV-QMMMGPOBSA-N 318.707 1.748 0 40 DDAB CN1C[C@@H](C(=O)NC2CC2)[C@@]2(COc3ccc(F)cc3C2=O)C1 19590825 KCYYUWQFVJXHNB-GUYCJALGSA-N 318.348 1.227 0 40 DDAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 12345841 STNOYUXOLYFZHR-AWEZNQCLSA-N 319.336 1.312 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136232 AUOMKDDYFLGLTE-BBRMVZONSA-N 300.402 1.922 0 40 DDAB CSc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1 30656271 HTQWAECHGKMHCA-UHFFFAOYSA-N 314.476 1.922 0 40 DDAB COc1ccccc1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037980696 FLWIMZFKJBQHKC-HOCLYGCPSA-N 304.390 1.374 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(c2ncncc2F)CC1 2086968222 PRIFQLBQWHLXIM-UHFFFAOYSA-N 322.365 1.127 0 40 DDAB CN(C)C1CC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 1565544001 YDAWXLUKOLCQRT-UHFFFAOYSA-N 303.406 1.332 0 40 DDAB CN1C(=O)c2cccnc2C12CCN(C(=O)[C@H]1CCOC1)CC2 1565550703 GYXDWMZWFKIDRQ-LBPRGKRZSA-N 315.373 1.021 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2cccc(C)c2)NC(=O)N[C@@]1(O)C(F)(F)F 4192808 UCQANRNMCGXMLU-WZRBSPASSA-N 316.279 1.805 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCCCn2ccnc2)c(C)c1 5147530 IJOHPYWLOYULOU-UHFFFAOYSA-N 300.362 1.645 0 40 DDAB Cc1ccn2c(=O)c(C(=O)NCc3ccncc3)c(O)nc2c1 9830177 UGDWKFOKCLMVMH-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB COc1ccc(CNC(=O)c2nc(-c3cnccn3)no2)cc1 39977188 MEKAVWFWPQVAIU-UHFFFAOYSA-N 311.301 1.465 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@]1(O)C=CCCC1 606440406 LSCTTYBFEDAKLY-INIZCTEOSA-N 323.414 1.438 0 40 DDAB Cc1cnn(CCN2CCC(C(=O)N3CCSCC3)CC2)c1 2298188906 OCCDXKURUWKARB-UHFFFAOYSA-N 322.478 1.479 0 40 DDAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 4923165 JCKUMTOJMNVSEB-JTQLQIEISA-N 309.391 1.809 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 100833720 IARBWFOJICOXTA-IATRGZMQSA-N 319.744 1.799 0 40 DDAB CN1CCN([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)O)CC1 20432496 BHCBJJGOEHGPJQ-CYBMUJFWSA-N 310.781 1.613 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCc1ccnc(Oc2ccccc2)c1 40529388 BEFPQEXYDAGFTJ-NSHDSACASA-N 314.345 1.547 0 40 DDAB CC(C)N(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccccc1 40513633 FNAMSLBDGWDYOT-INIZCTEOSA-N 317.433 1.682 0 40 DDAB CCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 40511096 SYOLTONUNHHZMO-UHFFFAOYSA-N 308.359 1.419 0 40 DDAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCSCC3)ccc21 40542032 YGPSXADJIIOHMG-UHFFFAOYSA-N 317.414 1.914 0 40 DDAB CCCCN1CCN(CC(=O)Nc2cccc3nonc23)CC1 32578573 GTUJWOBYATUMJW-UHFFFAOYSA-N 317.393 1.579 0 40 DDAB Cc1cc2nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n2c(C)n1 32922562 XGUGZHPWBBHYTA-SNVBAGLBSA-N 322.394 1.053 0 40 DDAB 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CCOC(=O)c1cnn([C@@H]2CCCN(Cc3cnnn3C)C2)c1 97235474 OIBITGATNJFODM-CYBMUJFWSA-N 318.381 1.025 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNCc1ccncc1)OCC2 96059705 KETNWPLHKFXKBZ-OAHLLOKOSA-N 302.378 1.328 0 40 DDAB O=C(c1cnoc1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96217469 DYSGZUUEGQXZDJ-CJNGLKHVSA-N 315.329 1.237 0 40 DDAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC(C)C)cn23)C1 96267693 CPNZNJUPUNTVPU-LBPRGKRZSA-N 315.377 1.203 0 40 DDAB COCCN1CCc2cc(C(=O)O)c(NC(C)C)nc2CC1 96189574 RBYKAWWOHLVIDN-UHFFFAOYSA-N 307.394 1.647 0 40 DDAB Cc1cnn(CCCNC(=O)NCC[S@](=O)C(C)(C)C)c1 96408879 UZOJJTUZYNBVJI-OAQYLSRUSA-N 314.455 1.428 0 40 DDAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(Br)cc2)N1 96300036 NCXSUUSJQUNXJK-WDEREUQCSA-N 322.162 1.861 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3ccsc3)C2)C1 96051923 AHMCWAIJFFOKDU-HOTGVXAUSA-N 310.463 1.917 0 40 DDAB O=C(c1ccno1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 96082792 OICSICSAIMCUDO-GZBFAFLISA-N 306.362 1.721 0 40 DDAB Cc1cccc(CCNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)c1 96427859 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DDAB COCC(=O)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257257882 KRLZLBVRUACOOI-CQSZACIVSA-N 302.374 1.832 0 40 DDAB O=C(CN1CC(c2nc(C3CC3)no2)C1)NCc1ccco1 70636998 HQJZNEHVUJMNQY-UHFFFAOYSA-N 302.334 1.256 0 40 DDAB COc1cc(N2CCN(c3ncc(Cl)cn3)CC2=O)ccn1 1776001618 BWKYXVXUURCLBV-UHFFFAOYSA-N 319.752 1.387 0 40 DDAB Cc1cccc(OC[C@H]2CCCN(Cc3ncnn3C)C2)n1 1776000512 MBUHJZQDQWPGBP-AWEZNQCLSA-N 301.394 1.810 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CN1 47927601 HURXYEKAYPVSEL-OCCSQVGLSA-N 306.337 1.252 0 40 DDAB O=C(NCc1ccccc1-n1ccnc1)NC1CCC(O)CC1 55088097 GTGMPDOQYAQAJF-UHFFFAOYSA-N 314.389 1.975 0 40 DDAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)NC(N)=O)cc1OC 55994903 AQSLWHRZCKHQJX-NXEZZACHSA-N 309.366 1.246 0 40 DDAB NC(=O)NCCCOC(=O)c1ccc(Br)s1 76090641 UNSWJBIJEVJGRB-UHFFFAOYSA-N 307.169 1.726 0 40 DDAB COc1cc(CN2CCN(C[C@@H](O)C3CC3)CC2)cc(OC)c1 85436868 YWNIXYFMCHYQBC-GOSISDBHSA-N 320.433 1.592 0 40 DDAB CC(=O)N1c2ccccc2C(=O)N[C@]12C(=O)Nc1ccccc12 14162530 ILIGHODJLRGSBZ-KRWDZBQOSA-N 307.309 1.588 0 40 DDAB COc1ncccc1C(=O)N[C@]1(CO)COc2ccccc2C1 529822184 MHXAVQLDHNVPLB-QGZVFWFLSA-N 314.341 1.186 0 40 DDAB O=C(C[C@H](NC[C@H]1CCCO1)C(=O)O)Nc1ccccc1F 10186446 LEQYWKVUNFPLOQ-MFKMUULPSA-N 310.325 1.376 0 40 DDAB COc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 2787329 KRRJPOMAPLXEKY-UHFFFAOYSA-N 309.329 1.987 0 40 DDAB COc1ccc(Br)c(C(=O)O[C@@H](C)C(N)=O)c1 3411821 KDGTYHYBFVBDQH-LURJTMIESA-N 302.124 1.488 0 40 DDAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1ccco1 23125932 KMWZAVBZMSLSTF-UHFFFAOYSA-N 322.324 1.787 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)NCCC1=CCCCC1 38717822 NTESYZXJQSHYPR-UHFFFAOYSA-N 304.394 1.396 0 40 DDAB O[C@@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1 247959965 PRGUSTUJRDFUNH-UONOGXRCSA-N 314.433 1.987 0 40 DDAB CC(=O)N1CCc2nc3ncc(-c4cnn(C)c4)cc3cc2C1 2298070629 KOAVYHUAADTDDC-UHFFFAOYSA-N 307.357 1.935 0 40 DDAB COc1cnc(N2CCC[C@@H](COc3cnccn3)C2)nc1 2298188599 LXDNFJQUQZIPGF-GFCCVEGCSA-N 301.350 1.571 0 40 DDAB O=C1NCCN(Cc2noc(C3CC3)n2)[C@@H]1c1cccs1 72800016 IYAQTULBXHYWFA-GFCCVEGCSA-N 304.375 1.682 0 40 DDAB CN(CC(=O)NCCCn1cccn1)C(=O)c1ccccc1 30165086 DPTRGDCTMNUNMO-UHFFFAOYSA-N 300.362 1.162 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 30343194 FDDNQTJIBBSORC-BMIGLBTASA-N 307.350 1.207 0 40 DDAB Cc1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)[nH]c2c1 40520929 FSOINWCEXPSGPE-UHFFFAOYSA-N 321.402 1.194 0 40 DDAB O=C(CN1CCN(c2nccs2)CC1)NCc1cccs1 21334872 KBZSNPGWWIIKNI-UHFFFAOYSA-N 322.459 1.643 0 40 DDAB CS(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 41115582 UDUCFPQJEGAPAZ-CYBMUJFWSA-N 318.826 1.263 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(F)ccc1F 102697898 SUMRRERMDMNOHV-QWRGUYRKSA-N 320.295 1.855 0 40 DDAB COC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@H]1c1ccc(OC)cc1 102748399 KYGSGSLPOGYTNS-CQSZACIVSA-N 304.302 1.947 0 40 DDAB CN(C)C(=O)CNc1ccc(S(=O)(=O)C2CCCC2)cc1 47273235 QKNKUFMLDKWNDU-UHFFFAOYSA-N 310.419 1.903 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCCc1ccccc1Br 61557648 XKLBRROFIBVVCE-MRVPVSSYSA-N 314.183 1.165 0 40 DDAB O=C1CC[C@H](NC(=O)c2ccc(Br)cc2O)CN1 78521512 HIOZPBFSKRCFQF-QMMMGPOBSA-N 313.151 1.163 0 40 DDAB O=C(c1ccc(Cn2cccc2)cc1)N1CCN(CCO)CC1 78783431 ITGQHCOOTSDIIK-UHFFFAOYSA-N 313.401 1.287 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 78888680 RVFZZTPIXKGJIW-JTQLQIEISA-N 307.379 1.400 0 40 DDAB COc1ccc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1 79052033 ODMYYTDNSOBOLD-ZBFHGGJFSA-N 313.357 1.548 0 40 DDAB COCCn1c(C)cc(C(=O)CSc2nnnn2C)c1C 3426407 YMTSZFGGOQOFEM-UHFFFAOYSA-N 309.395 1.250 0 40 DDAB C[C@H](c1ccccc1F)n1cc(C(=O)NCCN(C)C)nn1 4504516 OHGIJASVRJKUBP-LLVKDONJSA-N 305.357 1.318 0 40 DDAB CCOC(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(CC)cc2)s1 105739532 AYFIYBACGNJPHQ-FOIMCPNXSA-N 303.383 1.171 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1cccnc1 1266780 MACREFQZRUDUIG-LLVKDONJSA-N 314.297 1.211 0 40 DDAB O=C(O)c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1 21721066 VYKAFXIZXHUKJX-UHFFFAOYSA-N 309.285 1.613 0 40 DDAB COc1ccccc1CCC(=O)NCC1(C(N)=O)CCOCC1 47909896 DVNNTBLYSINGDZ-UHFFFAOYSA-N 320.389 1.026 0 40 DDAB Cn1c(=O)n(CCC(=O)NC[C@H]2CCCOC2)c2ccccc21 55923804 DWPZRBANWBCEHG-CYBMUJFWSA-N 317.389 1.273 0 40 DDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2F)CC1 57352390 LWWDZXLDRJFUPS-LBPRGKRZSA-N 323.368 1.927 0 40 DDAB O=C(NCCO)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 108497541 MJMVORMDOFWUID-IXDOHACOSA-N 317.433 1.579 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1847507 NLRFFZRHTICQBO-UHFFFAOYSA-N 324.377 1.311 0 40 DDAB in-man COc1ccc(CCNC(=O)[C@H](C)n2cncn2)cc1OC 27579907 VRWBTYODLOJFET-NSHDSACASA-N 304.350 1.215 0 40 DDAB Cc1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1 44908139 LYQKDJOKCDNAEE-LLVKDONJSA-N 306.387 1.641 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)CN1 48221164 VRVWSSNCGWGUOL-CYBMUJFWSA-N 317.389 1.545 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccon1 97237837 XZAWOOPGFPZMNR-CQSZACIVSA-N 301.346 1.171 0 40 DDAB Cc1nc(-c2cccnc2)nc(NCCNC(=O)N(C)C)c1C 97237797 AHICBRBJWOYWJY-UHFFFAOYSA-N 314.393 1.839 0 40 DDAB Cc1ccc(CN(CC(N)=O)Cc2ccc3c(c2)OCCO3)o1 48276073 CVBAELNDTWKTQF-UHFFFAOYSA-N 316.357 1.847 0 40 DDAB O=C(COC(=O)[C@H]1CCCN1c1ncccn1)NC1CCCC1 28115219 UZCIJKGSWJLKIL-CYBMUJFWSA-N 318.377 1.047 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CCCN(c2cnccn2)C1 45262580 PTUUAMNQBWUMAI-AWEZNQCLSA-N 305.426 1.151 0 40 DDAB NC(=O)c1ccsc1NC(=O)CN1CCc2ccccc2C1 36384493 AHTZBZLQLMQMJJ-UHFFFAOYSA-N 315.398 1.844 0 40 DDAB C[C@@H](C(=O)Nc1cccnc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100634382 FUFFUWWYBZPBKF-NARNDRFESA-N 311.341 1.216 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)CC1=O 45309293 QWDXFRUZFASHHK-QWHCGFSZSA-N 322.430 1.907 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@H]2C(=O)NC2CCC2)C1 107263808 VGIVZOVAYSAQHR-IIAWOOMASA-N 319.405 1.549 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 11595426 JUCDWAXCNMNCFB-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB CCNC(=O)CN(CC)C(=O)c1cc2ccccc2oc1=O 48343218 DNCYAZVKLRDAPB-UHFFFAOYSA-N 302.330 1.391 0 40 DDAB NC(=O)COC(=O)c1ccc(-n2cc(Br)cn2)cc1 46026600 AEDJQKHQQIQMFE-UHFFFAOYSA-N 324.134 1.277 0 40 DDAB CCN1CCN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 27973968 DPQPIJJXTHUTMX-SNVBAGLBSA-N 304.316 1.627 0 40 DDAB CC(=O)c1cccc(NC(=O)CN2CCC(C(N)=O)CC2)c1 2655629 GUCFUAQYFULYPS-UHFFFAOYSA-N 303.362 1.025 0 40 DDAB CN(C)[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C1CCCCC1 46948808 IMHCWYXIRGZBEZ-HNNXBMFYSA-N 305.422 1.626 0 40 DDAB C[C@](NS(=O)(=O)c1ccc2c(c1)CCC2)(C(=O)O)C1CC1 37367435 QQVNNIPUMFVVAA-OAHLLOKOSA-N 309.387 1.707 0 40 DDAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1 13056267 HYIZQNVLIBMJFF-CQSZACIVSA-N 322.430 1.051 0 40 DDAB CCCS(=O)(=O)NCc1cccc(OCCN(C)C)c1 48959277 SETDLNAXDAUDII-UHFFFAOYSA-N 300.424 1.456 0 40 DDAB CCS(=O)(=O)CCn1ccc(N[C@@H]2CCCSC2)n1 97084730 GMGGYACSIHNUMX-LLVKDONJSA-N 303.453 1.625 0 40 DDAB O=C(c1cncc(F)c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 97032061 FVZHGYGZHHVLJO-ABAIWWIYSA-N 317.364 1.836 0 40 DDAB CC(C)Cc1cc(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)[nH]n1 65447615 GUMRSLNUBDTJRQ-CHWSQXEVSA-N 308.426 1.447 0 40 DDAB O=C(NCCNC(=O)C1CC1)c1cnc(-c2ccccc2)nc1 65407477 YQRVZAVXTJWEFM-UHFFFAOYSA-N 310.357 1.400 0 40 DDAB O=C(CN(C1CC1)S(=O)(=O)c1ccccc1F)NC1CC1 65565354 PDHPITRYHAJUPB-UHFFFAOYSA-N 312.366 1.257 0 40 DDAB CNC(=O)CCN(C)C(=O)Nc1nnc(-c2ccccn2)s1 65553819 DDWQIODDRBCBSJ-UHFFFAOYSA-N 320.378 1.200 0 40 DDAB CN(C)C(=O)CNc1cccc(C(=O)N2CCC(CO)CC2)c1 65591328 DBFXCBITFZUPBZ-UHFFFAOYSA-N 319.405 1.031 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(F)c1 6538392 PRLNAIGODVJPNX-UHFFFAOYSA-N 312.297 1.227 0 40 DDAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 7069732 LPOQJVJYPJMRPH-MRVPVSSYSA-N 318.192 1.822 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)no1 72232620 VZQBMGNLOJOZNG-STQMWFEESA-N 309.366 1.280 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCOCC2)C1 67801319 ZQHZKNDDTPUHRE-GFCCVEGCSA-N 313.398 1.428 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1cncc(Br)c1 7627058 LNAMXOANNYDSNB-MRVPVSSYSA-N 314.183 1.489 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccccc2CN2CCCC2)N1 68931845 GLSOEJVTJCMDBG-HNNXBMFYSA-N 301.390 1.177 0 40 DDAB O=C(Nc1nc[nH]n1)c1nnn(-c2ccc(F)cc2)c1C1CC1 69484153 NUJKYDBNUDLLMV-UHFFFAOYSA-N 313.296 1.654 0 40 DDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)CC2CCCC2)CC1 69566469 AEHDOGAUBFGZDC-CQSZACIVSA-N 309.454 1.626 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1cccc2ccccc12 71800807 LDDBCUYSKBJCRG-UHFFFAOYSA-N 309.325 1.006 0 40 DDAB COC(=O)[C@@](C)(NC(=O)c1cnccn1)c1cc(F)ccc1F 69670353 ONKBLBAULXFZCV-HNNXBMFYSA-N 321.283 1.573 0 40 DDAB CC(=O)N1CCCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 69696996 BOCLZRPPNTUVJW-INIZCTEOSA-N 319.380 1.485 0 40 DDAB Nc1nc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)nn1-c1ccccc1 87705917 BRQJUXMVCVVPRO-TXEJJXNPSA-N 309.329 1.305 0 40 DDAB C[C@@H]1CCC[C@@H](OCC(=O)N(C)CC(=O)NCC(F)(F)F)C1 95395994 CJEVJITXMOODEO-GHMZBOCLSA-N 324.343 1.719 0 40 DDAB Cc1cc(NC(=O)CNc2ccc3oc(=O)n(C)c3c2)n(C)n1 85275728 SNIGPSROJLCBEA-UHFFFAOYSA-N 315.333 1.224 0 40 DDAB O=c1[nH]c(CSc2nc3ncccn3n2)nc2ccccc12 9953213 YSFHBMUAJKAGQZ-UHFFFAOYSA-N 310.342 1.653 0 40 DDAB CC(C)C(=O)N1CCC[C@H]1C(=O)NCC1(O)CCCCCC1 75141840 LBPBJTQVYCFZHP-AWEZNQCLSA-N 310.438 1.835 0 40 DDAB Cc1cc(CS(=O)(=O)N2CCSc3ccncc32)no1 89604975 UIPDHRQXBFTLFW-UHFFFAOYSA-N 311.388 1.820 0 40 DDAB O=C1CNC(=O)N1CCN1C[C@H]2CCCC[C@]21c1ccccc1 89827783 QZKJDCFNRIBIOR-QAPCUYQASA-N 313.401 1.940 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1scnc1C)CC2 89986403 IRISJAVKMUTXMO-NWDGAFQWSA-N 310.419 1.844 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2Cc2nnnn2C2CC2)no1 75573282 XDSDHHJUUXFUQP-NSHDSACASA-N 303.370 1.852 0 40 DDAB O=C1NC(=O)/C(=C\c2ccc(I)o2)N1 408761957 ITVBVQGVSVRNPA-HWKANZROSA-N 304.043 1.065 0 40 DDAB Cc1cc(C(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c(C)[nH]1 408127751 GUBFIADHOWPLMF-GDBMZVCRSA-N 324.446 1.856 0 40 DDAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C)O1 408728354 KBRPWKVCXCRIQR-IPJQOSJUSA-N 313.309 1.306 0 40 DDAB Cc1ncn(-c2ccc(NC(=O)Cc3cn(C)nn3)cc2)c1C 1553931825 SNMQQEKAWWEOJJ-UHFFFAOYSA-N 310.361 1.799 0 40 DDAB CC(C)NC(=O)COC(=O)c1ccn(-c2c(F)cccc2F)n1 78431180 KZKIXTKPRYCESR-UHFFFAOYSA-N 323.299 1.832 0 40 DDAB Cc1ccc(S(=O)(=O)c2ncccc2CN(C)CCO)cc1 79493855 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COCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 247867673 YLDGLVZKKDSMQE-CYBMUJFWSA-N 308.403 1.331 0 40 DDAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CNC2 257244362 IKYZVOJARTZSBD-AWEZNQCLSA-N 302.353 1.105 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)on1 257339182 ZAODUFCQUNUFDQ-TZMCWYRMSA-N 306.293 1.386 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C3CCOCC3)C[C@@H]21 257216686 CVRJXJWDXPPECA-VNQPRFMTSA-N 302.422 1.802 0 40 DDAB CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(C(N)=O)c2)C1 257292172 QKHIYLHGJDCLHC-ZDUSSCGKSA-N 305.378 1.667 0 40 DDAB Cc1nn(C)c(F)c1CNCc1ccn(CC(F)(F)F)n1 256051410 JBFYBARGUYNYFX-UHFFFAOYSA-N 305.279 1.916 0 40 DDAB Cc1nc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc(C(N)=O)n1 257318430 VNWIQESCPHDNCW-LBPRGKRZSA-N 318.421 1.711 0 40 DDAB Cc1n[nH]cc1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 257272622 NDCUMHDZECPUJX-OAHLLOKOSA-N 301.394 1.753 0 40 DDAB CO[C@H]1CN(C(=O)CCn2ccccc2=O)CC[C@@]12CCCO2 257303520 SHOFJOLXJCFTJX-YOEHRIQHSA-N 320.389 1.035 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@@](O)(CN2CCCC2)C1 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324.446 1.548 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cnc(C)[nH]1)[C@H]2C 585098721 XXYDWHQCYBFOBS-JTQLQIEISA-N 303.366 1.321 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCc1ccco1 69922473 JANTUUYBEOAGHM-HOTGVXAUSA-N 319.405 1.371 0 40 DDAB Cc1noc(N)c1C(=O)OCc1cc(F)cc2c1OCOC2 53049934 ZXIFAJHGKFXSIV-UHFFFAOYSA-N 308.265 1.928 0 40 DDAB CN(c1ccccc1)c1ccc(C(=O)NC2=NCC(O)=N2)cn1 58323242 DUCVXUYJPNRZTA-UHFFFAOYSA-N 309.329 1.905 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CNCCc1cnn(C)c1 58393509 BHHVXJGQDFDOHQ-UHFFFAOYSA-N 304.442 1.675 0 40 DDAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1csnn1 56261357 XRHTYKNESHESQU-UHFFFAOYSA-N 318.402 1.647 0 40 DDAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 76020447 OSGZHLNUHFVGQF-ZFWWWQNUSA-N 304.390 1.909 0 40 DDAB C[C@H]1CCc2sc(C(=O)N3CCOC[C@@H]3C(=O)O)cc2C1 88373653 UBOATGWKARPJEY-GXSJLCMTSA-N 309.387 1.799 0 40 DDAB CC(=O)Nc1ccc(SCC(=O)NCc2ccco2)nn1 11738676 KXNDZPYKCGDKHH-UHFFFAOYSA-N 306.347 1.437 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCCn1ncccc1=O 11856212 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O=C(Nc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 13700279 KEJLOABRNXXDFA-UHFFFAOYSA-N 323.360 1.478 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1nccs1)c1cccs1 23106659 HPSDNEHKGPWKSK-SECBINFHSA-N 324.431 1.562 0 40 DDAB Cc1cc(NC(=O)C(=O)NCc2ccc(-c3ccco3)o2)no1 575610081 JYVAVFRKWBGCNZ-UHFFFAOYSA-N 315.285 2.091 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)CSc1ncn[nH]1)OCO2 6781249 CCMJXZCHQLMKLH-UHFFFAOYSA-N 320.330 1.467 0 40 DDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(C)=O)C2)n(C(C)C)n1 2332241490 ZNJHHACRNQFYJB-YNEHKIRRSA-N 310.398 1.139 0 40 DDAB Cc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)o1 40087835 NEHJUIKFIXPRPI-NSHDSACASA-N 300.318 1.275 0 40 DDAB CCn1nnnc1S[C@@H](C(=O)NCc1cccnc1)C(C)C 50247631 CZUOXQPEULEPAW-GFCCVEGCSA-N 320.422 1.521 0 40 DDAB COc1ccc([C@H]2CCCN2CCS(C)(=O)=O)c(OC)c1 40465916 SNWALNDMRSIZJE-CQSZACIVSA-N 313.419 1.885 0 40 DDAB Cc1cc(N2CCN([C@H](C)C(=O)N(C)C)CC2)nc(C(C)C)n1 40468447 PMGGDMFJMKCSMZ-CQSZACIVSA-N 319.453 1.507 0 40 DDAB CCOc1ccc(CNC(=O)c2nccnc2N)cc1OC 40515450 QUSFWNVKYCSEMB-UHFFFAOYSA-N 302.334 1.396 0 40 DDAB [O-][n+]1c2c(nn1-c1ccc(Cl)cc1Cl)-c1nonc1CC2 337552 MJRGWZFGEJWTOZ-UHFFFAOYSA-N 324.127 1.961 0 40 DDAB C[C@H](N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(C)(C)C 101699634 PXFIZWQULMESTR-ZCRGAIPPSA-N 318.417 1.687 0 40 DDAB Nc1nc(NS(=O)(=O)c2ccccc2)nn1-c1ccccc1 309695 LJXSPXYVFTXKCH-UHFFFAOYSA-N 315.358 1.650 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@H]2CSCN2)CC1 21519893 CREDKMQBEHTSHA-GFCCVEGCSA-N 307.419 1.006 0 40 DDAB Cc1cccc(N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)c1 32926778 JXIGGMDPNVGPQU-CYBMUJFWSA-N 310.419 1.077 0 40 DDAB CC(C)[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1 22057933 ALWBASXDLPTIFS-KRWDZBQOSA-N 317.433 1.697 0 40 DDAB CCN(CC)C(=O)Cn1c(S(=O)(=O)CC)nc2ccccc21 544826 BJVXSHZCNLSCKM-UHFFFAOYSA-N 323.418 1.698 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53863916 SUSYQZXBTYFEGH-BONVTDFDSA-N 323.418 1.676 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 71144968 MBOKAVRBXHCEHD-VIFPVBQESA-N 306.790 1.709 0 40 DDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(Cl)n1 78510911 MQYIYYIHTHBWPT-GFCCVEGCSA-N 311.813 1.918 0 40 DDAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCOCC1 999598 JGJJTFJYOGITAH-UHFFFAOYSA-N 303.284 1.249 0 40 DDAB O=C(Nc1nc2ccc(F)cn2n1)c1cccc(-n2cccn2)n1 79064651 QKOOEVJWARAETE-UHFFFAOYSA-N 323.291 1.701 0 40 DDAB O=C1CCc2cc(OCCCC(=O)N3CCOCC3)ccc2N1 24487661 SIKXMISAVXNLFV-UHFFFAOYSA-N 318.373 1.589 0 40 DDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccsc2)C1=O 24497479 DXLDIGHBZGWBOT-OAHLLOKOSA-N 315.354 1.860 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)N(C)CCn2cccn2)C1 72277822 SBLBYGFGRGDEJL-HUUCEWRRSA-N 307.442 1.502 0 40 DDAB CC[C@@H]1CN(CC[S@@](=O)c2ccccc2)CCN1C[C@H](C)O 106906852 GTZQVXFWIVBOQA-DMPWYTOCSA-N 324.490 1.571 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1 12545415 JZSDNPBMCUOZGR-UHFFFAOYSA-N 305.378 1.667 0 40 DDAB COc1ccc(C)cc1CN1CCC(N2CCNC2=O)CC1 52216402 QJPMENGKSUIDPB-UHFFFAOYSA-N 303.406 1.993 0 40 DDAB O=C(O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 35206660 KVMIOASBXJPIAN-UHFFFAOYSA-N 317.172 1.836 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)[C@@H]1COc2ccccc2O1 19456345 CWZZMZORRVPXPH-WFASDCNBSA-N 307.346 1.090 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 57578257 CYBDVIQKNKDGJU-GFCCVEGCSA-N 316.357 1.731 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1C 9288419 ZWQNXDKZYOCXLC-RYUDHWBXSA-N 322.386 1.317 0 40 DDAB COCCNC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 57775589 RWARNSNOZYWNRG-NSHDSACASA-N 322.283 1.564 0 40 DDAB CC[C@@H]1CCCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 27154513 WSTDLJRVIZVGLF-LLVKDONJSA-N 302.378 1.832 0 40 DDAB O=C(NC[C@@H](NC(=O)c1ccccn1)C1CC1)c1ccccn1 58268481 YMCVETFOFLJWKD-OAHLLOKOSA-N 310.357 1.415 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1cc(-c2ccccc2)no1 58283293 AZOAQSJSYXTONB-UHFFFAOYSA-N 321.296 1.997 0 40 DDAB CCN1C[C@@H](C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1=O 48174504 MRZFBBXIHLGDGB-CABCVRRESA-N 315.417 1.498 0 40 DDAB CCCCn1nnnc1CSc1nnnn1-c1ccccc1 58342394 OUBPOWJGTZRPAX-UHFFFAOYSA-N 316.394 1.741 0 40 DDAB Cc1nc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1 48286516 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97105435 SAEKQMQDBDTZRI-UHFFFAOYSA-N 313.283 1.806 0 40 DDAB Cc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1 2696250 NYPMFIMFPHCLKX-UHFFFAOYSA-N 310.309 1.701 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)C1 20768295 QYFGPQIWWMPKDY-MUGBGTHKSA-N 302.374 1.052 0 40 DDAB C[C@H](NC(=O)c1nn(C)cc1Br)[C@H]1CCCO1 2778454 ZLRZZDHPSTZNPR-IONNQARKSA-N 302.172 1.480 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)N1CC[C@H]([C@H](C)O)C1 96010901 ZZCIPSZNPDECIV-GJZGRUSLSA-N 321.421 1.349 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(Cl)cc1N 6060000 HONJVXYCFZCSNS-UHFFFAOYSA-N 313.741 1.315 0 40 DDAB COc1ccc(CC(=O)Oc2ccc(-n3cnnn3)cc2)cc1 6261024 TXEWVZAZAMONAP-UHFFFAOYSA-N 310.313 1.819 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CCC[C@@H](C(F)(F)F)C1 65452309 HOWDDOQSZVBDID-SECBINFHSA-N 317.315 1.708 0 40 DDAB CN(C)c1cc(CNC(=O)c2ccc3c(c2)OCCO3)ccn1 65401457 UFMFUIJAFUZURH-UHFFFAOYSA-N 313.357 1.849 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 84543880 HNCNRJNYSVISQM-CYBMUJFWSA-N 322.405 1.539 0 40 DDAB O=C(NC[C@@H]1OCCc2sccc21)N[C@@H]1C[C@H]2CC[C@H]1O2 110681578 BAJZCCMFTQRFRA-JHEVNIALSA-N 308.403 1.981 0 40 DDAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccco2)C1=O 65606405 VMOOPRJBXPKPHP-CQSZACIVSA-N 318.337 1.033 0 40 DDAB Cc1c(C(=O)O)sc2[nH]c(=O)n(Cc3ccccc3)c(=O)c12 6665035 RQNPQOIQKCLLDP-UHFFFAOYSA-N 316.338 1.806 0 40 DDAB CCC(=O)N[C@H]1CCCN(Cn2nc(C(C)(C)C)ccc2=O)C1 66793497 ZOMXFQDHJMFPMR-ZDUSSCGKSA-N 320.437 1.489 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@@H](C(F)(F)F)C1 5861748 YJURVWNSSZEBTD-AGIUHOORSA-N 311.344 1.817 0 40 DDAB O[C@H](CSCc1ccon1)[C@H](O)CSCc1ccon1 15108992 GZMCKUJVIPGXBF-VXGBXAGGSA-N 316.404 1.551 0 40 DDAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccccc1 4942196 NEQHLTQAFZUKDB-IUBWNAFWSA-N 315.325 1.366 0 40 DDAB Cc1cc(NC(=O)[C@H]2COCCO2)ncc1Br 94063994 YINTYJLHCUFYNM-SECBINFHSA-N 301.140 1.506 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1CC(F)(F)F 71839578 WYUFNPYGLOXFMR-UHFFFAOYSA-N 317.311 1.629 0 40 DDAB CNC(=O)C1(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)CCC1 70038250 YKNCAWIUNUJCDQ-CYBMUJFWSA-N 304.394 1.099 0 40 DDAB CN1CCN(C(=O)[C@H]2CCCN2c2nc3ccccc3o2)CC1 71826810 FSKSYVHGQZPYDD-CQSZACIVSA-N 314.389 1.571 0 40 DDAB Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCS(=O)(=O)C2)cc1 8328501 JRDSCURZUMXSHH-JSGCOSHPSA-N 310.419 1.489 0 40 DDAB C[C@H](O)CN1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 69740222 YFDRLAXVOAZEAD-KBPBESRZSA-N 316.405 1.796 0 40 DDAB O=C1CC[C@H](C(=O)Nc2nnc(Cc3cccc(F)c3)s2)N1 69812701 CKSYAEZGOYEYRX-SNVBAGLBSA-N 320.349 1.485 0 40 DDAB COCCc1noc(CN2CCCC[C@H]2Cn2cccn2)n1 69946895 LNFZYMVFJKDHQX-ZDUSSCGKSA-N 305.382 1.510 0 40 DDAB CCNC(=O)Cn1ccc(NC(=O)Cc2cccc(F)c2F)n1 95410125 AZMIXHYHQSQZGB-UHFFFAOYSA-N 322.315 1.479 0 40 DDAB C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)Cn1ncn(C)c1=O 97049422 MEDCMYAOWQBSSS-WDEREUQCSA-N 318.402 1.498 0 40 DDAB C[C@H]1CN(C(=O)Nc2ccn(C)n2)CCN1CC(F)(F)F 95977699 KEOCQGVWKSPZDO-VIFPVBQESA-N 305.304 1.520 0 40 DDAB O=S(=O)(CCN[C@@H]1CCC[C@H](C2CC2)C1)N1CCOCC1 89540628 GBMPIADZQSLTCG-LSDHHAIUSA-N 316.467 1.207 0 40 DDAB CC[C@H](C(=O)N1CCC(N2CCC[C@@H]2C)CC1)N1CCCC1=O 89941857 LDDLBLODFLXTTG-GOEBONIOSA-N 321.465 1.863 0 40 DDAB COc1cccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)O)c1 20319229 KMWQDCZCXXLRTQ-SECBINFHSA-N 303.318 1.618 0 40 DDAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)C1(CO)CO 218038406 ZXSIRHQSPQZAHM-HOTGVXAUSA-N 318.394 1.597 0 40 DDAB COCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O 36739947 AOCRKPSVXJRLTN-HUUCEWRRSA-N 300.349 1.136 0 40 DDAB CCOC(=O)C1=C(C)NC(N)=N[C@H]1c1ccc([N+](=O)[O-])cc1 35051173 IZWVEAWNICCXLI-LBPRGKRZSA-N 304.306 1.391 0 40 DDAB COCc1nc(C)cc(N2CCN(c3cncc(F)c3)CC2)n1 521398554 NUFSLTJVOGXPQO-UHFFFAOYSA-N 317.368 1.792 0 40 DDAB CCOC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccccc1 218018625 DQVZOIUVYODZLZ-SGMGOOAPSA-N 313.444 1.506 0 40 DDAB COc1ccccc1[C@H](CNC(=O)NC1CC1)N1CCOCC1 36075791 BZIQOZZZADDGRC-HNNXBMFYSA-N 319.405 1.530 0 40 DDAB O=C(NC[C@H]1COc2ccccc2O1)c1cnc2[nH]ncc2c1 1540123062 KOIHLWFRFLIVGE-LBPRGKRZSA-N 310.313 1.528 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306125259 CKSNNDHOBRPRGF-GFCCVEGCSA-N 324.352 1.254 0 40 DDAB CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2nc(C)sc21 32615793 VQOLFDROVWIXSL-UHFFFAOYSA-N 314.370 1.574 0 40 DDAB CN(C(=O)CN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392856 GRZDHQVUMDTAHC-AWEZNQCLSA-N 305.378 1.205 0 40 DDAB CCn1c(CN2C[C@H](O)C[C@@H]2C(=O)OC)nc2c(F)cccc21 185508280 NCEGSKUWZKUMEE-ZWNOBZJWSA-N 321.352 1.304 0 40 DDAB COCc1cccc(S(=O)(=O)NCc2c(C)nn(C)c2C)c1 71195365 YGMFGLNSMCOYLL-UHFFFAOYSA-N 323.418 1.662 0 40 DDAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31602249 YOGCTZSLHFIGFF-SNVBAGLBSA-N 302.359 1.525 0 40 DDAB CC1(C)OCC2(CO1)CN(C(=O)CNC(=O)c1ccccc1)C2 70971241 VPJUCEKJGPJWGT-UHFFFAOYSA-N 318.373 1.028 0 40 DDAB O=C(NCCO)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 72391909 BRSADYYWQULETC-FQEVSTJZSA-N 324.424 1.984 0 40 DDAB Cc1cccc(N(C)S(=O)(=O)c2cccc3nonc23)n1 127439734 YVWFWGWRKLSTBB-UHFFFAOYSA-N 304.331 1.751 0 40 DDAB COc1ccccc1N1CCN(C(=O)C2CCN(C)CC2)CC1 74707402 WHLVLGIZRDRFFL-UHFFFAOYSA-N 317.433 1.686 0 40 DDAB COCc1nc(C2CCN(C(=O)c3cccnc3)CC2)no1 72363898 HXGPMSPYWCZCSI-UHFFFAOYSA-N 302.334 1.631 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c(C)n1C 527563094 WNTADGATGQZEIS-DYEKYZERSA-N 317.393 1.045 0 40 DDAB CN([C@@H](C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O 225095797 UBCQRWPOTLFHLS-CQSZACIVSA-N 322.386 1.529 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)Nc1ccc(C(F)(F)F)cc1 178942399 HFYGGJBVTZZNJT-LBPRGKRZSA-N 304.268 1.978 0 40 DDAB CCN(CC)C(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225946849 QTWDRUMWNUOQCX-ZDUSSCGKSA-N 316.398 1.675 0 40 DDAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1nccnc1N 47282035 NFYLDXDFDGFHNM-LLVKDONJSA-N 314.393 1.818 0 40 DDAB CCn1nccc1CNC(=O)c1nnc2ccc(Cl)cc2n1 46088535 FBLRQWBRPGJHDP-UHFFFAOYSA-N 316.752 1.825 0 40 DDAB Cc1ccc2c(Cn3ccnc3S(C)(=O)=O)ccc(O)c2n1 225429675 WLXISDDMQZLAHT-UHFFFAOYSA-N 317.370 1.897 0 40 DDAB CC(C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225644312 BTDYYVJZRSBUTD-UHFFFAOYSA-N 306.413 1.209 0 40 DDAB Cc1nn(C)cc1CC(=O)N1CCN2CCOc3cccc1c32 333547924 MBGGGJBTSCANIW-UHFFFAOYSA-N 312.373 1.517 0 40 DDAB CC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@@H](C)[S@@]1=O 332252225 RLFQAAAXUVXIMU-ZSMADZGOSA-N 305.403 1.706 0 40 DDAB c1cnc(NCc2cncc3c2CCN(c2ncccn2)C3)nc1 96189532 XFMVEYOWPJQQNW-UHFFFAOYSA-N 319.372 1.836 0 40 DDAB Cn1cc(C(=O)O[C@@H]([C@@H]2CCCO2)C(F)(F)F)ccc1=O 96485230 BXYWKVQLUZYGSJ-ONGXEEELSA-N 305.252 1.652 0 40 DDAB COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H]2CN(C)CCO2)cc1 96485785 CPWUIXZQZMHBSL-PBHICJAKSA-N 320.433 1.663 0 40 DDAB Cc1cc(-c2nnc3sc(-c4cn(C)nc4C)nn23)n(C)n1 95474221 GGAFVFKMVQZMOR-UHFFFAOYSA-N 314.378 1.604 0 40 DDAB CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3C)cc1 96183776 PMPYWMACASNRBA-KGLIPLIRSA-N 308.403 1.243 0 40 DDAB CC(C)NC(=O)c1nc(-c2ccc(N3CCCC3)nc2)no1 97971365 XLBKVTCFTFYAHH-UHFFFAOYSA-N 301.350 1.870 0 40 DDAB CN(C)CCOCc1nnc2n1CCN(Cc1ccsc1)C2 96259014 PRCUXEWVWFYYLT-UHFFFAOYSA-N 321.450 1.434 0 40 DDAB Cn1cc(CN2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cn1 96161327 FHWOWFDMKGFQDR-QGZVFWFLSA-N 324.428 1.916 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 97198201 RWPVQSRVLOJGAJ-GXTWGEPZSA-N 324.384 1.749 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@H]21 96043325 GFZUVEBDHOYXOP-OWCLPIDISA-N 303.406 1.363 0 40 DDAB Cc1nnc([C@H]2CO[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]32)o1 96216828 KTAGSJLXGLNBDP-GRYCIOLGSA-N 305.359 1.694 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cnn(C)c1)C2 96201054 YEEMOKNWSULNSI-UHFFFAOYSA-N 302.426 1.473 0 40 DDAB C[C@H](CNC(=O)N1C[C@@H]2CC=CC[C@H]2C1)CN1CCOCC1 245305039 HTCIZAMJQSEBPJ-PMPSAXMXSA-N 307.438 1.562 0 40 DDAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@@H]2CCC[C@H]2C1 245304981 HJLKPBWOOWCUGY-IHRRRGAJSA-N 308.447 1.947 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257247400 IYWPQMZSEKXRLK-HNNXBMFYSA-N 319.405 1.770 0 40 DDAB COc1cccc(CC(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1 257271220 MXJKBOUFCJDJOW-JFIYKMOQSA-N 318.417 1.342 0 40 DDAB O=C(CC1CCOCC1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257263292 LPDYFUWCQFYZEQ-HZPDHXFCSA-N 305.374 1.454 0 40 DDAB CCc1cc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)no1 257298420 RLNARPVOHKQAKA-OAHLLOKOSA-N 316.361 1.736 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)c3cnn(C)c3)CC[C@H]21 257290492 QDEGNCONMWVYKC-DZGCQCFKSA-N 304.394 1.283 0 40 DDAB CCOCC[C@H]1CCOC12CCN(C(=O)c1ncccn1)CC2 253383879 MWLDQWLYPQUFJS-AWEZNQCLSA-N 319.405 1.915 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2ccnn2C)cc1 257284482 PCWIFDPCIXMPKT-OAHLLOKOSA-N 300.362 1.215 0 40 DDAB O=C(Cc1ccc(F)cc1F)N1CC[C@H](Oc2ccncn2)C1 575606623 RBRWLVJDAYFRGX-ZDUSSCGKSA-N 319.311 1.977 0 40 DDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@@H]21 575405779 UBTMDRGVUWTQHN-CKEIUWERSA-N 313.401 1.817 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)NC1CC1)CN(Cc1ccco1)C2 585110931 ZYVLASXRCQEYQJ-ZDUSSCGKSA-N 300.362 1.391 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3COCCO3)cc2)n1 585139848 LOGMEWCMASIECF-HNNXBMFYSA-N 301.346 1.843 0 40 DDAB C[C@@H](NC(=O)NCC[C@@H]1CCCO1)C(=O)NCc1ccco1 65517206 BBAIVWUJKVVDGR-NEPJUHHUSA-N 309.366 1.153 0 40 DDAB Cc1nc(CN2C(=O)c3ccccc3CS2(=O)=O)oc1C 69367783 RZBXZQWUDGPCEP-UHFFFAOYSA-N 306.343 1.777 0 40 DDAB C[C@H]1CN(CCCc2nnnn2-c2ccccc2)C[C@H](C)O1 69439747 TYJNQVYGBCFECN-KBPBESRZSA-N 301.394 1.704 0 40 DDAB O=C(NCCS(=O)(=O)[C@@H]1CCc2ccccc2C1)C1CC1 899503132 GPCZUDGTNBYXDL-OAHLLOKOSA-N 307.415 1.485 0 40 DDAB Cc1cc(C)c(CCNC(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c1 51689693 XAWLAKJHCATWER-OAHLLOKOSA-N 319.405 1.050 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cnnn2)c(OC)c1 52955987 SJKJHYFYJOTSNY-ZDUSSCGKSA-N 317.349 1.054 0 40 DDAB O=C([C@@H]1NCC[C@@H]2CCCC[C@@H]21)N1CCCn2nncc2C1 1580488664 IIFCQMSKCSRDPJ-AEGPPILISA-N 303.410 1.179 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)NC[C@@H]2CCCn3ccnc32)no1 84117238 JQHTWHMXQJGLHI-NEPJUHHUSA-N 303.366 1.674 0 40 DDAB NC(=O)C1(CNCc2ccc(-n3cccn3)cc2)CCOCC1 86250593 RMKBXGACMXBCIL-UHFFFAOYSA-N 314.389 1.244 0 40 DDAB Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1 5162516 GVQZPZSQRCXSJI-UHFFFAOYSA-N 308.315 1.407 0 40 DDAB in-vitro CC(C)[C@@H](C)NC(=O)Cn1c(NC[C@H](C)O)nc2ccccc21 5265198 ZFNIFVYKSGCESL-QWHCGFSZSA-N 318.421 1.990 0 40 DDAB CCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233454 OAVRCEPCHGWRTH-UHFFFAOYSA-N 313.361 1.320 0 40 DDAB O=C(NCc1ccccc1)NCc1nc(-c2ccncc2)n[nH]1 13565327 OFCNRCMZHKDLBV-UHFFFAOYSA-N 308.345 1.866 0 40 DDAB COc1ccc(CC(=O)Nc2nnc3n2CCCS3)cc1 16953652 GPOOMDAIJIEEHB-UHFFFAOYSA-N 304.375 1.964 0 40 DDAB COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 19334629 ZKBACHQFBAZJGF-XMTFNYHQSA-N 318.369 1.913 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)Nc3ccccn3)C2)o1 19747796 CUXAQVPDRRQJQQ-LBPRGKRZSA-N 314.345 1.787 0 40 DDAB Cc1ccc(OC[C@]2(O)CCN(Cc3cnn(C)c3)C2)cc1 643914064 KMUVUBKHALYRAZ-KRWDZBQOSA-N 301.390 1.744 0 40 DDAB COc1ccc2c(c1)CN(S(=O)(=O)CCCC(=O)O)CC2 563075089 JRSAZKYDDGEECO-UHFFFAOYSA-N 313.375 1.248 0 40 DDAB Cc1cc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)ncn1 1888843726 YIMUIMDEOZSDLG-UHFFFAOYSA-N 315.377 1.180 0 40 DDAB CCc1cc(N2CCC[C@H](C(=O)N3CCSCC3)C2)ncn1 1889101101 HKDGLONVCKDTRN-ZDUSSCGKSA-N 320.462 1.831 0 40 DDAB CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714930 ZXPVGULDPCXBCF-NSHDSACASA-N 304.394 1.206 0 40 DDAB CCN(CC)C(=O)CN1CCN(C(=O)N2CCCCC2)CC1 40487891 VOGYZVCFDMJKLQ-UHFFFAOYSA-N 310.442 1.078 0 40 DDAB Cc1cc(=O)n2nc(N(C)CCOc3ccccc3)sc2n1 40489704 RINTYIPKQVVDMZ-UHFFFAOYSA-N 316.386 1.975 0 40 DDAB CCN(Cc1cccc(NC(=O)COCCOC)c1)C(C)=O 40516347 YKNYPCBXDKOQBG-UHFFFAOYSA-N 308.378 1.657 0 40 DDAB CCN(CC)[C@H](CNC(=O)c1nccnc1N)c1ccsc1 31985182 FYLZUKWTBOUJKP-GFCCVEGCSA-N 319.434 1.933 0 40 DDAB Cc1c(C(=O)NCc2cccc(N3CCCC3=O)c2)cnn1C 32312181 VRYSWFOSHQVPKY-UHFFFAOYSA-N 312.373 1.785 0 40 DDAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(-n2cnnn2)cc1 32555895 ZSWWGGPGXJYJIQ-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB CCN1CCc2nc(NC(=O)c3ccc(O)nn3)sc2C1 21294100 ITUFECHKOYKPOD-UHFFFAOYSA-N 305.363 1.269 0 40 DDAB CCOC(=O)N1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 52635453 JVYZXYPWOSKSBI-AWEZNQCLSA-N 311.426 1.552 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)O[C@H](C)C1 543721 FAXNGEHCHUXDHL-NFAWXSAZSA-N 320.389 1.590 0 40 DDAB NC(=O)c1nc[nH]c1-n1nc2c(c1C(F)(F)F)CCCCC2 33435798 VBRFTJGFQYCYCN-UHFFFAOYSA-N 313.283 1.982 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccc(F)cc2)CC1 22591251 RMFMIIWZJUSJIT-ZDUSSCGKSA-N 305.397 1.610 0 40 DDAB CN1CCN(CC[C@@H]2CCCCN2C(=S)NC2CC2)CC1 22936558 YUKGICNOFXCGTA-HNNXBMFYSA-N 310.511 1.515 0 40 DDAB Cc1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1 138024 RKSZLYBJRMWRCR-UHFFFAOYSA-N 306.749 1.651 0 40 DDAB O=C(O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(=S)[nH]c2c1 211088 YDMDOYQKAGFQND-VIFPVBQESA-N 306.343 1.936 0 40 DDAB COCCCNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12408739 MCRBMDAQELIFBF-UHFFFAOYSA-N 300.318 1.984 0 40 DDAB CCOC(=O)C1=NO[C@H](Cc2cc(OC)c3c(c2)OCO3)C1 12412846 HUMMKHNPPXHGPO-SNVBAGLBSA-N 307.302 1.674 0 40 DDAB CCC[C@H](C)N1C[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 77506309 JPHAJNCDFQPVJT-NWDGAFQWSA-N 314.389 1.960 0 40 DDAB COc1cc(C[C@H]2[C@H](O)C3CCN2CC3)cc(OC)c1OC 1688567 CSOPYOZGEXBZJX-XJKSGUPXSA-N 307.390 1.710 0 40 DDAB Cc1ccsc1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 78903899 DAPLKEFMWKITEB-RYUDHWBXSA-N 318.464 1.842 0 40 DDAB CC(C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 6358750 LZDNBBYBDGBADK-UONOGXRCSA-N 303.362 1.263 0 40 DDAB endogenous,in-man CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106024298 GQDQFIGJBXYGIH-SDDRHHMPSA-N 310.394 1.980 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 106054274 XRJRWXPWCOXLIQ-BFHYXJOUSA-N 321.487 1.050 0 40 DDAB CC(C)(C)C(=O)NCCC(=O)NCCc1ccc(C(=O)O)cc1 95350739 LEIXLMSZAKFQSO-UHFFFAOYSA-N 320.389 1.596 0 40 DDAB Cc1cccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c1C 101273992 DXGRYWVFSWGQOH-OAHLLOKOSA-N 301.390 1.183 0 40 DDAB CCOc1ccc(OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 48088695 OMNPRNYBEZPYKJ-GFCCVEGCSA-N 306.362 1.188 0 40 DDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ncccn2)CC1 106505937 DEVSTECTVRHPBE-SOUVJXGZSA-N 300.406 1.952 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccccc3)CCO2)n1 107055647 NLFNKXVWDPGNNV-KKUMJFAQSA-N 312.373 1.817 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1 43945980 HLPOIRRXCQOGPK-AWEZNQCLSA-N 312.373 1.361 0 40 DDAB Cc1cccc([C@@H](CC(=O)Nc2cnn(C)c2)NC(N)=O)c1 25310823 WENLQSVUXMXAEU-CYBMUJFWSA-N 301.350 1.467 0 40 DDAB Cc1cccnc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 9886546 IQTZFNHJGSMEBA-UHFFFAOYSA-N 314.297 1.914 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 57578260 CYBDVIQKNKDGJU-LBPRGKRZSA-N 316.357 1.731 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C)C[C@@H]2CCCCO2)c(=O)[nH]1 75122240 XEWKZBWMXZKHHL-ZDUSSCGKSA-N 307.394 1.702 0 40 DDAB CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2)cn1 48234262 HDEGNGALQSELBA-CYBMUJFWSA-N 304.394 1.022 0 40 DDAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 102094781 RYBHMPAUQBHUNT-AYMQEEERSA-N 317.341 1.515 0 40 DDAB O=C(CCc1c[nH]c2ccccc12)NC[C@H]1CCS(=O)(=O)C1 44718060 CCWRTHVMADBHGW-GFCCVEGCSA-N 320.414 1.651 0 40 DDAB Cc1ccc2c(c1)CCCN2C(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 102597536 BXAVNXVDXRXTPD-FZKCQIBNSA-N 313.353 1.928 0 40 DDAB CNC(=O)c1ccc(=O)n(Cc2cc(=O)oc3cc(C)ccc23)c1 58153354 OJIYXEXMFPFLHU-UHFFFAOYSA-N 324.336 1.671 0 40 DDAB Cc1ccsc1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 108529038 JFMKYDXDNHRAJR-RYUDHWBXSA-N 316.448 1.150 0 40 DDAB Cc1cnc(N2CCC3(CC2)CCN(c2cncnc2)C3=O)nc1 106905405 BUWJZJGFMSJHIL-UHFFFAOYSA-N 324.388 1.599 0 40 DDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cnn(C)c2)CC1=O 44915814 AOCXTPGZCXACJL-TZMCWYRMSA-N 312.373 1.968 0 40 DDAB C[C@@H](NC(=O)CCn1cccn1)c1cn(-c2ccccc2)nn1 95416027 CPXRHSHDWIBXRZ-CYBMUJFWSA-N 310.361 1.731 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100860634 IMUKUNYFDMSYGJ-XUXIUFHCSA-N 301.298 1.482 0 40 DDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1ccccn1 58392560 DDGSUWYWKWCGMJ-AWEZNQCLSA-N 315.421 1.811 0 40 DDAB C[C@H](NC(=O)CN1CCN(c2ccccc2F)CC1)C1CC1 58419900 FORFDHHEJKFCII-ZDUSSCGKSA-N 305.397 1.862 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)c(C)c1 58406203 HMRYWUUHGNHHAR-HNNXBMFYSA-N 318.417 1.918 0 40 DDAB CCCCn1nnnc1Cn1c([C@@H](C)O)nc2ccccc21 48303349 CWBYLBLUHVWXNI-LLVKDONJSA-N 300.366 1.925 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)C3CC=CC3)CC2)C1 108534262 SEKCQKCQXZRYGD-UHFFFAOYSA-N 312.435 1.273 0 40 DDAB O=C1c2ccccc2-c2ccc(C(=O)[C@@H](O)S(=O)(=O)O)cc21 2324960 TVZARGXMZUKYCE-HNNXBMFYSA-N 318.306 1.287 0 40 DDAB C[C@H](NS(C)(=O)=O)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217779 WYMHDULKZLRSJQ-QMMMGPOBSA-N 312.395 1.343 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 36662330 FCNKHRZNBGCKEV-UHFFFAOYSA-N 319.386 1.088 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)CC(=O)NC(C)(C)C 36650491 OJYHUIINIHAKGO-IAQYHMDHSA-N 320.389 1.588 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCO1 2409932 FLBINFKSPTYTGZ-KBPBESRZSA-N 306.362 1.249 0 40 DDAB CN1CCN(CN2C(=O)S/C(=C/c3ccccc3)C2=O)CC1 22942490 HWEQTVSBWFUEBM-SDNWHVSQSA-N 317.414 1.928 0 40 DDAB Cc1nc2ccccc2nc1CN1C(=O)C(=O)N(C(C)C)C1=O 36879851 GDNPQLVSFFPZPS-UHFFFAOYSA-N 312.329 1.637 0 40 DDAB O=S(=O)(NC1CC1)c1ccc(I)cc1 2582346 ILCZGONWLWIQSZ-UHFFFAOYSA-N 323.155 1.732 0 40 DDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(=O)[nH]c3)cn2)n1 46311489 IPCOQUDPEWJTBF-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccncc1 3509344 MSZBYLQOOIYENV-UHFFFAOYSA-N 314.297 1.664 0 40 DDAB O=C(NCCNc1ncccn1)N1CCC[C@H]1c1ccncc1 47057313 PVBDQOKJDFHIEH-AWEZNQCLSA-N 312.377 1.830 0 40 DDAB O=C(O)Cc1csc(NC(=O)COc2cccc(F)c2)n1 13406085 KWWSTJKONVVFGJ-UHFFFAOYSA-N 310.306 1.927 0 40 DDAB C[C@H]1C[C@@H](OC(=O)CCNC(=O)Nc2ccccc2)C(=O)O1 39977674 JNXRBWMHSRMCFV-CMPLNLGQSA-N 306.318 1.445 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1ccc(-n3cccn3)cc1)CC2 65553402 IWBYCEUPUCIDOP-HNNXBMFYSA-N 308.389 1.877 0 40 DDAB Cc1ccc(C2=CCN(CC(=O)N3CCNC(=O)C3)CC2)cc1 65528732 CXHDRWSOZRCGHF-UHFFFAOYSA-N 313.401 1.043 0 40 DDAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cc(C2CC2)[nH]n1 65563207 NJIOBNPXNIJPJI-ZDUSSCGKSA-N 320.418 1.328 0 40 DDAB CC(C)[C@H]1CN(c2ccnc(N)n2)CCC(=O)N1CC1CC1 71415795 WUPOFEPZVCZEJU-CYBMUJFWSA-N 303.410 1.532 0 40 DDAB CN(CC(C)(C)C)C(=O)c1ccc(CNS(C)(=O)=O)o1 96460902 YWQFWCKDQPPQGP-UHFFFAOYSA-N 302.396 1.447 0 40 DDAB CC(C)n1ccc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)n1 81182289 ABIOFWLDTSAKID-CYBMUJFWSA-N 315.377 1.315 0 40 DDAB CN(CC(N)=O)C(=O)COc1ccc(Nc2ccccc2)cc1 71827907 DJALRVKFDDHWIK-UHFFFAOYSA-N 313.357 1.753 0 40 DDAB C[C@@H](O)[C@@H]1CCCCN1CCN1C(=O)c2ccccc2C1=O 71883595 ZFROWBOILLCPGY-DOMZBBRYSA-N 302.374 1.518 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 70017655 LMANSMKRIORLOV-NSHDSACASA-N 318.402 1.657 0 40 DDAB C[C@H](Cn1cccn1)NCC(=O)N(C)Cc1ccc(F)cc1 69369997 LMRHPVXITONZOS-CYBMUJFWSA-N 304.369 1.659 0 40 DDAB CS(=O)(=O)CCSCC(=O)NCc1ccc(Cl)cc1 71884088 GSYHMNYIWSVUSH-UHFFFAOYSA-N 321.851 1.734 0 40 DDAB CCn1nnc2cc(C(=O)NCc3nnc4ccccn34)ccc21 8328578 VJVHMUADZSKCKA-UHFFFAOYSA-N 321.344 1.424 0 40 DDAB CCCN(CCC)C(=O)CN1CCN(c2cnccn2)CC1 69421137 PVTMYHGFUGJLJY-UHFFFAOYSA-N 305.426 1.247 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3cn4ccccc4n3)CCO2)c1 69443039 OYKWDAOEMHSXAT-MRXNPFEDSA-N 311.389 1.740 0 40 DDAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ncccn1 8429161 OESINIKJQWRQQE-UHFFFAOYSA-N 303.343 1.822 0 40 DDAB COC(=O)c1ccc(Cn2cnc3cc(F)ccc3c2=O)o1 8485747 RPCNPJOGNCREPE-UHFFFAOYSA-N 302.261 1.964 0 40 DDAB Cc1cnc(CN2CC[C@H](N(C)Cc3nnc(C)n3C)C2)o1 89702341 ZLXQCKZARKCTTO-ZDUSSCGKSA-N 304.398 1.126 0 40 DDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCS(=O)(=O)C1 69634676 IAUVJDBPSQEHLM-PSASIEDQSA-N 313.341 1.611 0 40 DDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccccn1 69741945 MOVRUKYMCYPMKK-QGZVFWFLSA-N 314.341 1.822 0 40 DDAB CCCCCN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 71910646 ZPOKLIHGAOKEBH-UHFFFAOYSA-N 311.451 1.646 0 40 DDAB O=S(=O)(NC1CC1)[C@H]1CCN(CCc2cccs2)C1 95973134 MZPVRDGGVFPBRY-ZDUSSCGKSA-N 300.449 1.447 0 40 DDAB O=C(Cn1[nH]c(=O)ccc1=O)Nc1cccc(C(F)(F)F)c1 8734825 XPQCHYOBSXOWBB-UHFFFAOYSA-N 313.235 1.194 0 40 DDAB c1cc(CN[C@H]2CCSC2)cc(OCCN2CCOCC2)c1 95967459 SGXJPJAMZKEDOZ-INIZCTEOSA-N 322.474 1.993 0 40 DDAB Cc1sc(Br)cc1S(=O)(=O)Nc1nnc[nH]1 84028481 IIZYUQJXHNZZNC-UHFFFAOYSA-N 323.197 1.738 0 40 DDAB C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(N)=O)nc1 95980613 ZAPAQFVNTASPSD-JTQLQIEISA-N 314.345 1.639 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1cn3ccccc3n1)CC2 97199214 YGCDFJPPENGVFT-LBPRGKRZSA-N 324.388 1.794 0 40 DDAB CCN(CC)S(=O)(=O)CCNc1nnc(C(C)C)s1 89969018 MXANLYPAAHTZEL-UHFFFAOYSA-N 306.457 1.745 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCCn1c(=O)oc2ccccc21 89937936 RUONEIHLXWKFRU-ZDUSSCGKSA-N 317.389 1.537 0 40 DDAB COc1ccccc1NC(=O)CCNC(=O)c1cnccn1 72403998 QVOMPWJFFPSUQB-UHFFFAOYSA-N 300.318 1.244 0 40 DDAB O=C(Nc1nc2ccc(Cl)cn2n1)N[C@H]1CCCC[C@H]1O 97376552 BATHESSSORAZOH-VHSXEESVSA-N 309.757 1.808 0 40 DDAB Cc1nc(NS(=O)(=O)c2c(C)nn(C)c2C)sc1C 74752786 XJSKPVLYZSBDQV-UHFFFAOYSA-N 300.409 1.911 0 40 DDAB O=C(c1cccc(OCC(F)F)n1)N1CCOC[C@@H]1C1CC1 89978513 PZDPZODHGIQEGC-GFCCVEGCSA-N 312.316 1.977 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 14806069 JHHLEHRNFSMQNP-UHFFFAOYSA-N 300.355 1.115 0 40 DDAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CCNC1=O 32759637 OMMBRDHATXOMQK-NSHDSACASA-N 316.361 1.166 0 40 DDAB Cn1ncc2c(O)nc(N[C@@H]3CCc4ccccc4NC3=O)nc21 521396789 MRYCOIGXHCMPCI-GFCCVEGCSA-N 324.344 1.434 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306142840 XMDLJVXHFWHVFX-KBPBESRZSA-N 318.373 1.114 0 40 DDAB O=C(CCCn1cnnn1)N1CCO[C@@H](c2ccccc2)C1 524734676 BKNKFCWGEZIKLG-CQSZACIVSA-N 301.350 1.053 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CC2)cc1 408605740 NJCTWCMGFCLLBP-SNVBAGLBSA-N 312.391 1.031 0 40 DDAB CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc21 74936334 FPEQPJOTRPIHJC-UHFFFAOYSA-N 318.354 1.843 0 40 DDAB O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@H]2CNC[C@H]21 565945153 WDYPZFXWTIRVLW-GOEBONIOSA-N 311.389 1.156 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)NCCc2ccsc2)no1 75573096 LQUSIBSWWQWHLN-ZDUSSCGKSA-N 320.418 1.935 0 40 DDAB CS(=O)(=O)[C@@H]1[C@@H](CN)[C@@H]1c1ccc(Br)cc1 218194203 FRHZTYZFDHVSDF-GARJFASQSA-N 304.209 1.534 0 40 DDAB C[C@H](N)C(=O)N1CC[C@@H](CN(Cc2ccccc2)C2CC2)C1 79415636 STWOOHMDZAMILW-GOEBONIOSA-N 301.434 1.847 0 40 DDAB CC(C)S(=O)(=O)NC1=NCN([C@@H]2CCC[C@@H](C)[C@@H]2C)CN1 223048686 IFBYVQSQGMXKAI-FRRDWIJNSA-N 316.471 1.315 0 40 DDAB CN(c1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccccc1 225979756 RRGWCAPQEYYZAR-UHFFFAOYSA-N 304.371 1.540 0 40 DDAB O=C(Nc1ccc(Br)cc1F)C(=O)NC1CC1 42645868 CWGSGBPMVAHXSJ-UHFFFAOYSA-N 301.115 1.805 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccn(C2CC2)c1=O 1580404957 UXSWGWJWRVHSQO-HZPDHXFCSA-N 309.369 1.538 0 40 DDAB Cc1noc(C)c1CCCNC(=O)N1CC[C@@H](CN(C)C)C1 130297833 IIIIHTXBHNIWCO-AWEZNQCLSA-N 308.426 1.817 0 40 DDAB O=C(NCCn1c(=O)oc2ccccc21)NC[C@H]1CC[C@@H](O)C1 195578285 HJGNOQCEQXBMOW-NWDGAFQWSA-N 319.361 1.055 0 40 DDAB CS(=O)(=O)N1CCC[C@]2(C[C@H](Nc3nccs3)CO2)C1 96073830 LAYQWRQDIODHHC-JQWIXIFHSA-N 317.436 1.138 0 40 DDAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC(=O)NC1 96451228 HXLBFNXNTFEODZ-JQWIXIFHSA-N 310.781 1.892 0 40 DDAB Cn1cnc2c1[C@H](COCC1CC1)CN(C(=O)N1CCCC1)C2 96060260 ZMCDCZZALMXFRY-AWEZNQCLSA-N 318.421 1.962 0 40 DDAB COc1c(C(=O)N2CCCC2)nnn1Cc1ccc(C)cc1 96183392 JUENMOSHKVSVAV-UHFFFAOYSA-N 300.362 1.879 0 40 DDAB CCOc1cccc(CCNC(=O)c2c[nH]c(C)cc2=O)n1 96473535 KNCPBOBNOQWMRK-UHFFFAOYSA-N 301.346 1.450 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)cn1 96184546 ZFNYLASTWOGVHN-CVEARBPZSA-N 311.389 1.304 0 40 DDAB COc1ccc(CN2C[C@@H]3CN([C@H]4CCOC4)C[C@@H]3C2=O)cc1 96245348 RWGAWMYRLAUOJZ-ZOBUZTSGSA-N 316.401 1.374 0 40 DDAB O=C(NC[C@H](O)c1ccco1)c1cc2cc(F)ccc2oc1=O 96436101 MAAVXAGJFUVGOT-LBPRGKRZSA-N 317.272 1.989 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181700 GGXQBJDQZWTRKJ-HUUCEWRRSA-N 308.353 1.592 0 40 DDAB Cn1cc(CN2CCO[C@H]3[C@H](Cn4cccc4)CC[C@@H]32)cn1 96250207 XQSCRTMDXYYEIP-ULQDDVLXSA-N 300.406 1.901 0 40 DDAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2nccs2)C3)nc1 248037438 NTSWLGLJZIJNEB-GFCCVEGCSA-N 318.402 1.746 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3c(c1)OCO3)C2 247972504 VALVMRWXYUHUDE-GFCCVEGCSA-N 305.330 1.435 0 40 DDAB C[C@]1(C(N)=O)CN(Cc2ccc(Br)cc2)CCO1 257200861 AFDQHLGJNGADMV-CYBMUJFWSA-N 313.195 1.525 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)no1 257201124 AGKHLRORYUQADM-AWEZNQCLSA-N 315.377 1.812 0 40 DDAB CCS(=O)(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1 257248790 JFEWCQCCNNKPBQ-UHFFFAOYSA-N 321.358 1.281 0 40 DDAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc3c(c2)COC3)no1 64386021 SJHBNHMFIGMGCJ-UHFFFAOYSA-N 315.329 1.724 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)on1 257252469 JUXKMALEPWTWMK-LLVKDONJSA-N 301.350 1.450 0 40 DDAB CN(C)c1nccnc1[C@H]1CN(Cc2cscn2)CCO1 257326730 WYJOAWXOTCWWRB-GFCCVEGCSA-N 305.407 1.573 0 40 DDAB Cc1cc(C(=O)NC[C@](C)(C(=O)O)c2ccccc2)nn1C 263235588 BOBGBRZXXNFYTP-INIZCTEOSA-N 301.346 1.501 0 40 DDAB Cc1ccc(C[C@@H]2CN(C(=O)CCC(=O)O)CC[C@@H]2O)cc1 585274312 IUWGUXWOAPKOSK-CABCVRRESA-N 305.374 1.612 0 40 DDAB COC(=O)c1ccccc1C(=O)N1CC(Nc2cnccn2)C1 824207654 AGKWSMMJKBJRKN-UHFFFAOYSA-N 312.329 1.200 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cn1 69347288 PQPDGPCFIOBQJN-CYBMUJFWSA-N 313.361 1.115 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 69381173 BTDFKVHSAJJINU-RBSFLKMASA-N 304.365 1.912 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H](n2cccn2)C1 69463859 BCHVMEHQVSSYLL-HOTGVXAUSA-N 318.421 1.838 0 40 DDAB C[C@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)N(C)C 58796140 YWXZBEKSTCWNSP-SNVBAGLBSA-N 307.785 1.601 0 40 DDAB O=C(Cn1cccn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91765673 STYQWQNILRYOSI-BXUZGUMPSA-N 307.300 1.496 0 40 DDAB O=C(O)Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 90718042 SDWFTZOTDYKDTC-UHFFFAOYSA-N 315.116 1.922 0 40 DDAB O=C([C@@H]1CCCO1)N1CC(Cn2cc(Br)cn2)C1 1889108957 STFGMNFXJKUCPC-NSHDSACASA-N 314.183 1.283 0 40 DDAB CC(C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 5381078 WOTVUFNQVOGQNV-UHFFFAOYSA-N 304.799 1.631 0 40 DDAB COCC(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O 11738363 FAQLXECPNJTJMR-UHFFFAOYSA-N 315.373 1.371 0 40 DDAB Cc1sc(-c2ccc(F)cc2)nc1C(=O)N1CCNC(=O)C1 11867527 AKMZWSVAFXIRDB-UHFFFAOYSA-N 319.361 1.830 0 40 DDAB Cc1nn(CC(=O)NC(C)C)c(=O)c2cc3sccc3n12 12115238 PLDTWAVNWFIXFT-UHFFFAOYSA-N 304.375 1.544 0 40 DDAB CCCCN(C)C(=O)CSc1nc(O)c(C(C)C)c(=O)[nH]1 13453714 CCXPXEQMBOVIOV-UHFFFAOYSA-N 313.423 1.950 0 40 DDAB O=C1N=C(O)[C@@H]2[C@@H](c3ccco3)c3sc(=O)[nH]c3S[C@@H]12 16712695 ZBSYMJOOCQVTLP-FSDSQADBSA-N 308.340 1.749 0 40 DDAB CCc1sc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc1C 9112751 HIIUQNUPOAYLRD-UHFFFAOYSA-N 321.406 1.809 0 40 DDAB CC(=O)N1CCCN(CC(=O)Nc2ccc(C)cc2F)CC1 11419734 VWAADLFCVBPMRS-UHFFFAOYSA-N 307.369 1.627 0 40 DDAB CCc1cc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)ncn1 1888888361 CFAJCNQHWHJNAM-CYBMUJFWSA-N 305.426 1.074 0 40 DDAB COc1cc(N2CCN(c3ncnc4cnccc34)CC2)ncn1 1889139832 GNYWDJXYDQVBBX-UHFFFAOYSA-N 323.360 1.150 0 40 DDAB O=C(N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1)C1(F)CCC1 1565546525 FWJLKOCQIKCNOW-DOMZBBRYSA-N 320.368 1.541 0 40 DDAB CN(C)[C@H](CNC(=O)N1CCNC1=O)c1cc2ccccc2o1 575622475 ZBKQZVCQBXYHLO-GFCCVEGCSA-N 316.361 1.770 0 40 DDAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226860380 UHAHJNJFXKTQMQ-UHFFFAOYSA-N 316.338 1.679 0 40 DDAB Cc1ncnc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)c1C 2298028257 AJEPKAMOQUKVFS-GFCCVEGCSA-N 300.410 1.538 0 40 DDAB COCCOc1ccc(CNC(=O)Cn2nc(C)cc2C)cc1 40089526 AQPQXHUBVMKYQP-UHFFFAOYSA-N 317.389 1.842 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 40488275 AUZDETDFVYSSFA-OAHLLOKOSA-N 310.419 1.271 0 40 DDAB NC(=O)COc1ccc(CNC(=O)CN2CCCCCC2)cc1 51093079 QHMRPLOWCZZOJZ-UHFFFAOYSA-N 319.405 1.043 0 40 DDAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H]1COCCO1 40555965 ZKDXCZHXRWLONQ-CYBMUJFWSA-N 302.330 1.795 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)NCC[C@H]2CCCO2)cc1 40504360 BMUAOEDTJUSGPT-RZIFZGNASA-N 302.374 1.745 0 40 DDAB COc1cc(/C=C/C(=O)N2CC[C@@H](C(N)=O)C2)cc(OC)c1 41128740 ZMTJVAQBONXKNY-AAOUONPWSA-N 304.346 1.051 0 40 DDAB CNS(=O)(=O)c1cc(OC)c(Br)cc1OC 41105619 FEPCGVFGCANGAU-UHFFFAOYSA-N 310.169 1.374 0 40 DDAB Nc1cc(N)nc(SCC(=O)c2ccc3c(c2)OCCO3)n1 415629 MXHVTBXGPRBXKK-UHFFFAOYSA-N 318.358 1.387 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)NC[C@@H]1CCOC1 41377809 YJXATIOCHVTFPE-LBPRGKRZSA-N 304.346 1.527 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN3CCC[C@@H]3Cc3ccccc3)nc21 52827175 MYQZDZVHYSDCBP-CQSZACIVSA-N 323.400 1.864 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)c(OC)c1 52955989 SJKJHYFYJOTSNY-CYBMUJFWSA-N 317.349 1.054 0 40 DDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)N1CCOCC1 548717 TUOMKRCRYIMCLR-UHFFFAOYSA-N 303.318 1.819 0 40 DDAB COc1cc(CO)cc(-c2cc(CO)cc(OC)c2O)c1O 525469 CXVCUWXYWXMTCF-UHFFFAOYSA-N 306.314 1.767 0 40 DDAB biogenic COCCN(CC(=O)N(C)C)C[C@H](O)c1ccccc1Cl 42153090 GDYGDVUQNDCHCW-AWEZNQCLSA-N 314.813 1.410 0 40 DDAB OC[C@H]1CCCN1c1cc(N2CC[C@H](N3CCCC3)C2)ncn1 72276265 IKLDRJATFVFKNK-LSDHHAIUSA-N 317.437 1.112 0 40 DDAB CCN(CC)C(=O)CSc1nncn1-c1ccc(OC)nc1 78412811 SXZMEXOLJNXUQU-UHFFFAOYSA-N 321.406 1.631 0 40 DDAB Cc1nccc(CNC(=O)NC[C@@](C)(O)c2cc(C)oc2C)n1 78940298 CISPPIKVGJEHSL-MRXNPFEDSA-N 318.377 1.702 0 40 DDAB CC(C)[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccn1 78980574 ZEKANKIBXBCYOH-MLGOLLRUSA-N 316.405 1.841 0 40 DDAB COCCN1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 54188038 HSJBDXYVCHLTJN-IAGOWNOFSA-N 323.481 1.432 0 40 DDAB CCOCCCN1CC[C@H](NC(=O)c2cnc(C)cn2)[C@H](C)C1 79361216 GNNWOOPDMVRFOR-HIFRSBDPSA-N 320.437 1.652 0 40 DDAB O=C(NCC1(c2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 54951721 OVKCPULLUOZWOT-ZDUSSCGKSA-N 308.403 1.205 0 40 DDAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 6945541 HAJQHJHISOOPFA-OLZOCXBDSA-N 312.435 1.967 0 40 DDAB Cc1ccc(CNC(=O)CN2CCCC[C@H]2[C@H](C)O)cc1F 106791436 RNMDKAHOLZWLRU-BBRMVZONSA-N 308.397 1.986 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)Cc2ccco2)c2c(=O)[nH]n(C)c2n1 25301090 VRQIBIBOKALMLO-VIFPVBQESA-N 314.345 1.524 0 40 DDAB COC(=O)[C@@H](NS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 57218429 NDNFABIUONPIRT-KIPDHUPVSA-N 301.408 1.294 0 40 DDAB in-vitro Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c2c(C)nn(C)c2n1 57553764 XVSKLLKMMGXIOS-GFCCVEGCSA-N 313.405 1.552 0 40 DDAB COc1ccc(CCN2C(=O)[C@@H](C(C)C)NC2=S)cc1OC 3261543 INKQEGZHZRPTOF-CQSZACIVSA-N 322.430 1.988 0 40 DDAB CC(=O)N1CCN(C(=O)CCOc2cc(C)cc(C)c2)CC1 44666931 JIQZLOSKUFAIID-UHFFFAOYSA-N 304.390 1.763 0 40 DDAB CN1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2C1 95466079 RRQZLQGGVKCGNC-WCQYABFASA-N 303.362 1.973 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1cccc(NC(=O)C2CC2)c1 58226349 ZOBLCSGIUUPHHQ-ZDUSSCGKSA-N 301.346 1.044 0 40 DDAB C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)[C@@H]1CCCO1 27868311 DDRPTBRNWDOUSP-AAEUAGOBSA-N 304.346 1.668 0 40 DDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccco1 27976122 TVOSWQKWRXWPKZ-LLVKDONJSA-N 313.317 1.339 0 40 DDAB CC[C@@H](C)[C@H](NC(C)=O)C(=O)NC(=O)NCc1ccccc1 2114970 LYTIXGUTYOIHJZ-RISCZKNCSA-N 305.378 1.563 0 40 DDAB biogenic COc1c(CNC[C@@H]2COc3ccccc3O2)c(C)nn1C 58305255 UAJVKIWYCYIQDS-GFCCVEGCSA-N 303.362 1.667 0 40 DDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1OC 10681872 ZFPHRRGKLAENFO-JTQLQIEISA-N 301.364 1.113 0 40 DDAB CC1(C)Cc2c(sc3nc(SCCN)[nH]c(=O)c23)CO1 2314754 YEQSVYXDRUBNJR-UHFFFAOYSA-N 311.432 1.887 0 40 DDAB CN1N[C@@H](c2cccs2)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 170621077 JKAGYUJTJJTIEJ-MELADBBJSA-N 319.430 1.926 0 40 DDAB CNC(=O)c1ccc(OCc2cc(=O)n3c(C)cccc3n2)cc1 48356021 KUESXYDTANKECV-UHFFFAOYSA-N 323.352 1.942 0 40 DDAB CC1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)CC1 60358352 PUDBISCJJKPJQX-CYBMUJFWSA-N 319.409 1.912 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)CCC3)n1 12814298 JZXYUIUHIMHAFA-UHFFFAOYSA-N 301.371 1.912 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C3[C@H](OC(C)(C)C)C4[C@@H]([C@@H]13)[C@@H]42 104044021 LLTLZFVQBXWSLR-CCWMYMMASA-N 306.358 1.564 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 12886468 YFEHBXHNWWPKGS-UHFFFAOYSA-N 314.389 1.968 0 40 DDAB COC(=O)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 12935699 LQBHQQWDZKBBSO-KRWDZBQOSA-N 324.380 1.885 0 40 DDAB O=C(O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 38342283 PGTLAEWYSFMXAF-MRXNPFEDSA-N 324.336 1.585 0 40 DDAB CC(C)(C)OC(=O)N1CCO[C@@H](COC(=O)c2cccnc2)C1 96013329 RKXVPNOMPOAZAF-CYBMUJFWSA-N 322.361 1.874 0 40 DDAB O=C(O)CC[C@H](NC(=O)N1CCCc2ccccc21)C(=O)O 13682027 SAXZAFLMFHCHIC-NSHDSACASA-N 306.318 1.467 0 40 DDAB COc1ccc(-c2cnn([C@@H]3CCS(=O)(=O)C3)c2N)cc1 5210859 KAKSOKFABYJBCC-LLVKDONJSA-N 307.375 1.501 0 40 DDAB Cc1cc(F)ccc1C(=O)NCCC(=O)NCc1ccccn1 97164021 DPVLIBRGLDBPQW-UHFFFAOYSA-N 315.348 1.965 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)s1 65536824 IITDEGQXGOZWDG-SNVBAGLBSA-N 322.839 1.547 0 40 DDAB O=C(COC(=O)c1cc2c(s1)CCC2)NC[C@H]1CCCO1 5308696 JGXXWBULXMAWLE-LLVKDONJSA-N 309.387 1.689 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC(=O)NC(C)(C)C 14314288 XVVPYMRUWJFAQS-HZMBPMFUSA-N 306.362 1.246 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C)cc1 4700131 HSFQXMDCEHXFNL-OAHLLOKOSA-N 303.406 1.212 0 40 DDAB CC1(COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)COC1 66522625 NABUCUBNXHEVCJ-UHFFFAOYSA-N 316.357 1.826 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 5773262 QUNXLKKGJSBVTB-SECBINFHSA-N 324.402 1.875 0 40 DDAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15187343 GWHPXFNKLWYFCJ-LLVKDONJSA-N 316.357 1.990 0 40 DDAB CC(C)[C@H](Nc1nc(C2CC2)ns1)C(=O)N1CCOCC1 96486683 UICKTVCNJDZSRY-NSHDSACASA-N 310.423 1.711 0 40 DDAB O=C(NCCn1cnnc1C1CC1)c1cnn(-c2ccccc2)n1 96412668 GFDDKGIMJKDGDF-UHFFFAOYSA-N 323.360 1.166 0 40 DDAB c1cncc(CN2CCc3ncnc(N4CCOCC4)c3C2)c1 97201931 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COc1c(Cl)ncnc1NS(=O)(=O)c1ccc(N)cc1 71618084 XSFRVYMZSANDAB-UHFFFAOYSA-N 314.754 1.522 0 40 DDAB in-vitro CCC(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4CC)C[C@@H]2C1 1065945748 IIAXWZQVYYKIHZ-TXEJJXNPSA-N 314.393 1.151 0 40 DDAB Cc1ccc(CC(=O)N2CC(Cn3nc(C)ccc3=O)C2)cc1 1775986151 XTCHSHZXTBYSSW-UHFFFAOYSA-N 311.385 1.561 0 40 DDAB O=C(CSc1ccc(O)cc1)NC(=O)NCC(F)(F)F 49493758 KSDZQNBKOFHROG-UHFFFAOYSA-N 308.281 1.872 0 40 DDAB NC(=O)CCNC(=O)/C=C/c1cc(Br)cs1 73114576 DDEBZJYERMOYOH-OWOJBTEDSA-N 303.181 1.515 0 40 DDAB Cc1ccc(N2CC[C@@H](NC(=O)c3cscn3)C2=O)cc1 76022404 SDWFRCRBRGHETF-GFCCVEGCSA-N 301.371 1.987 0 40 DDAB CCN(Cc1ccoc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 89969359 AQOGYGANFYKVNR-UHFFFAOYSA-N 312.347 1.491 0 40 DDAB O=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122072 RTZQMPFVXJUIMZ-LBPRGKRZSA-N 309.387 1.762 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2cncn2)C1 826570806 FJQFYDVVWKYLGO-UHFFFAOYSA-N 310.354 1.046 0 40 DDAB O=C1OCCOCCOCCOCCOC(=O)c2cccc1c2 5573143 HZYZWGYPBXBALT-UHFFFAOYSA-N 324.329 1.064 0 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C/C=C/C(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440938 YKDKFFSBVVOKRQ-PBKGFPTLSA-N 312.167 1.795 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(F)cc1 30849375 ZRGCYWOFPATGMV-ZDUSSCGKSA-N 324.352 1.259 0 40 DDAB COc1ccc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1F 40489186 OYCHREMWGARRTI-AWEZNQCLSA-N 315.366 1.070 0 40 DDAB Cn1c(=O)n(CCC(=O)N2CCSCC2)c2ccccc21 40542206 JMYIKNSXSAPVAT-UHFFFAOYSA-N 305.403 1.306 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)NCC[C@H]3CCCO3)cnc12 32754828 WKWLFDLIBNRAHC-CYBMUJFWSA-N 315.373 1.390 0 40 DDAB COc1ccccc1[C@H](O)Cn1c(=O)[nH]c2ccccc2c1=O 32929997 VQIGHYSLOXYGSY-CQSZACIVSA-N 312.325 1.432 0 40 DDAB Nc1nccnc1C(=O)NC[C@H](c1ccco1)N1CCCC1 41946312 NLHCJVJAIYRSEG-LLVKDONJSA-N 301.350 1.219 0 40 DDAB COc1cccc(-c2nc(C)c(C(=O)NCC(=O)O)s2)c1 12409639 XKGSYPNMVVPPRF-UHFFFAOYSA-N 306.343 1.942 0 40 DDAB COc1ccnc(N2CCN(C(=O)CCc3ccco3)CC2)n1 47694066 RXVAIDGQPOIHGY-UHFFFAOYSA-N 316.361 1.360 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)C1 47773775 KYQPFMQYBIJRQO-RXMQYKEDSA-N 308.285 1.501 0 40 DDAB O=C(CN1C[C@H](O)C[C@@H]1C1CCCCC1)NCc1ccccn1 78726223 QOZFSZUUCHYSCK-IAGOWNOFSA-N 317.433 1.713 0 40 DDAB CC(C)[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 23016874 FHOAIJATSMCQPQ-JTQLQIEISA-N 305.421 1.413 0 40 DDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(C)C 1761442 MXYBMLFDVFOETP-WDEREUQCSA-N 316.423 1.000 0 40 DDAB Cc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O 4223162 WUQKUDDPOSWVHA-RRFJBIMHSA-N 301.390 1.723 0 40 DDAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccncc1)C(=O)C2 4937404 DFGKUIDBMLTEDT-BBRMVZONSA-N 322.430 1.896 0 40 DDAB CC(C)c1nc(C(=O)N2CC[C@H](N)C2)nn1-c1cccc(F)c1 97019576 FQCNPMGTVYUMKQ-LBPRGKRZSA-N 317.368 1.703 0 40 DDAB Cc1cc2n(n1)[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N2 1160868 UUONNMIEVWELAI-NKWVEPMBSA-N 305.178 1.465 0 40 DDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1C 106094293 LWYCJRKVRQFETD-OLZOCXBDSA-N 310.419 1.578 0 40 DDAB Cc1nc(N[C@H](C)C(=O)N2CCOCC2)c2c(C)csc2n1 97163562 OIDAOTQZMNFNIU-SNVBAGLBSA-N 320.418 1.967 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1 10327188 IODXIAGDMODQHT-LBPRGKRZSA-N 313.357 1.777 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)[C@H](C)NC(=O)c1cccs1 106764515 NDNUJHKREGNLEH-RYUDHWBXSA-N 311.451 1.713 0 40 DDAB CC[C@H]1CN(CCOc2ccccc2OC)CCN1C[C@H](C)O 106906888 HJXWAKMBWYYQMN-HOTGVXAUSA-N 322.449 1.851 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)s1 56003575 XIAXWAZGDWRROU-ZDUSSCGKSA-N 324.427 1.815 0 40 DDAB NC(=O)NC1CCN(C(=O)Nc2cccc3cccnc23)CC1 72306192 FALWEPJIEQIZBO-UHFFFAOYSA-N 313.361 1.899 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-n2cccn2)cc1 27492302 GARNGPXIYAWYDT-AWEZNQCLSA-N 312.329 1.673 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)[nH]n1 44720980 VGIHAEWBHDXGDR-LLVKDONJSA-N 319.386 1.241 0 40 DDAB COCCN1CCO[C@H]2CCN(Cc3ccccc3C)C[C@@H]21 108532351 PJTNZHMGUCKOBJ-ROUUACIJSA-N 304.434 1.917 0 40 DDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)[C@@H]1CCCO1 27894724 FZCUSVAOFDFYDX-QEJZJMRPSA-N 315.377 1.141 0 40 DDAB COCCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 58537657 UECVGHQIQYZOLR-UHFFFAOYSA-N 305.374 1.999 0 40 DDAB CCn1c(C)cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1C 72269499 INLWNZUWFUDSLL-DLBZAZTESA-N 319.449 1.796 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)C1 11391401 DZIMANSIGWLFCH-OPRDCNLKSA-N 309.439 1.626 0 40 DDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 100128939 UGYQBVWFIYWOCF-KBPBESRZSA-N 303.406 1.951 0 40 DDAB Cc1c(Br)c(C(=O)NC[C@H]2CCCO2)nn1C 2780326 FAMLOYNUPZGAIX-MRVPVSSYSA-N 302.172 1.400 0 40 DDAB CCOC(=O)c1cnc2nc(C)ccc2c1N1CCOCC1 47157696 DICKJUXXMUBNIM-UHFFFAOYSA-N 301.346 1.952 0 40 DDAB NC(=O)C1CCN(C(=O)CSc2ncccc2Cl)CC1 48404978 BGKRLHFTSNDQHG-UHFFFAOYSA-N 313.810 1.551 0 40 DDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC1 12926257 AKTWYOZOCXFYGP-ZDUSSCGKSA-N 321.402 1.028 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN1c1ccc2nnnn2n1 12919521 SOBAOAIZJSQBMZ-GFCCVEGCSA-N 309.333 1.127 0 40 DDAB CC(C)Oc1ccc(Cl)cc1C(=O)NCCS(C)(=O)=O 48925026 NWQDLXWPCRUUQM-UHFFFAOYSA-N 319.810 1.902 0 40 DDAB O=C(NCCCn1cccn1)NC[C@@H](O)c1cccc(Cl)c1 65390728 APQAQQMJJOYJRY-CQSZACIVSA-N 322.796 1.959 0 40 DDAB CC[C@H](C)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 65564376 SPNKJYSLHOHGDP-ZDUSSCGKSA-N 321.469 1.533 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 65592121 HCJHUDKSLULPTP-JOCHJYFZSA-N 322.430 1.364 0 40 DDAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCS(=O)(=O)C1 14142071 OYSDPIROYDCTSE-GFCCVEGCSA-N 320.370 1.567 0 40 DDAB CCn1cc(Cl)c(C(=O)N2N=CC[C@]2(O)C(F)(F)F)n1 6636204 LAQFABGRSZVSSO-VIFPVBQESA-N 310.663 1.639 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1 6763096 NIGWLYNGGPHGND-LBPRGKRZSA-N 310.419 1.802 0 40 DDAB CN(C)C(=O)N1C[C@@H]2OC[C@H](CCOCc3cccnc3)[C@@H]2C1 306123863 AYWCTKUVUVPNLO-JYJNAYRXSA-N 319.405 1.617 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4814555 NHWVBDPHZSVMIF-RISCZKNCSA-N 306.337 1.474 0 40 DDAB Nc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)s1 4834953 WQNVXWKVOHLJEV-UHFFFAOYSA-N 310.360 1.549 0 40 DDAB CS(=O)(=O)NCCNCc1cnc(-c2cccs2)s1 83453484 BHJRBLDQIGIADB-UHFFFAOYSA-N 317.461 1.510 0 40 DDAB Cc1cc(F)cc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)c1 80180741 HXBOEOBMZVQINY-UHFFFAOYSA-N 321.396 1.417 0 40 DDAB Cc1cc(S(=O)(=O)N(C)C[C@H]2CCOC2)cnc1Cl 96454056 YNFJLZWOGIMSKR-SNVBAGLBSA-N 304.799 1.700 0 40 DDAB O=c1[nH]c2ccccc2nc1Cn1nnc(-c2ccccc2)n1 97139469 WQOYCFXPZNMTNY-UHFFFAOYSA-N 304.313 1.625 0 40 DDAB COc1cccc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 16117517 OSKKBDWHZCBCRF-UHFFFAOYSA-N 322.386 1.156 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2nc(C)cs2)cn1 16574962 CWHIJVIMCGDYPL-UHFFFAOYSA-N 307.331 1.651 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CCN(C(C)C)C2)CC1 69241997 RHTKXKDSXFFGPE-OAHLLOKOSA-N 324.469 1.415 0 40 DDAB Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 69387094 LNGBXHDDILMEJH-OLZOCXBDSA-N 321.425 1.068 0 40 DDAB CC(C)N1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 71826793 FWJXECKOEHOVEX-UHFFFAOYSA-N 313.401 1.554 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCC[C@H](C3OCCO3)C2)cc1 69434012 LTVNGXPOCXHGBZ-AWEZNQCLSA-N 319.357 1.698 0 40 DDAB Cc1nc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)no1 69562005 DEHTTWNWURQBBA-UHFFFAOYSA-N 318.333 1.559 0 40 DDAB CC(C)c1nnc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)s1 69570144 QMLHXEQWHDDIOO-VIFPVBQESA-N 311.411 1.650 0 40 DDAB COCCN(C)CCNC(=O)c1cc(C)nc2ccccc12 69704416 PCTAKCUAPVBVOH-UHFFFAOYSA-N 301.390 1.851 0 40 DDAB CS(=O)(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 71903202 WATQZZJLOPKDID-LBPRGKRZSA-N 322.352 1.867 0 40 DDAB O=C(NC[C@@H](O)C1CCCC1)c1cccnc1N1CCOCC1 69951777 PLLYGSVKFSOGOU-OAHLLOKOSA-N 319.405 1.199 0 40 DDAB c1cn2c(n1)[C@@H](CNCc1cnc(N3CCCC3)nc1)CCC2 84613346 VPQFRZVNMGUEQT-OAHLLOKOSA-N 312.421 1.941 0 40 DDAB CC(C)[C@H](N)CNS(=O)(=O)Cc1cccc2cccnc12 95432099 QXSVUFWMUGYVDU-CQSZACIVSA-N 307.419 1.638 0 40 DDAB O=C1NC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 85436145 AKIAXDFVJPSUAE-NSHDSACASA-N 315.295 1.795 0 40 DDAB biogenic,in-vitro Cc1cccc(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 95989051 RUMXMECVHYOQNQ-ZDUSSCGKSA-N 310.419 1.030 0 40 DDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 95962503 RYKGGABMWJMBGU-RKDXNWHRSA-N 301.268 1.484 0 40 DDAB Cc1nc(CN2CCN(C(=O)[C@@]3(C)CCCNC3)CC2)cs1 95947203 VTGPSOJRFVYNIR-INIZCTEOSA-N 322.478 1.485 0 40 DDAB O=C(O)c1cn(CCNc2ncccc2C(F)(F)F)nn1 89696828 FLUNFUOTCLYRPW-UHFFFAOYSA-N 301.228 1.502 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2nnc3n2CCCC3)on1 89608745 JPWVAHQDNWFOIF-QWRGUYRKSA-N 318.381 1.589 0 40 DDAB CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1 89821175 LRALZEHTAXHXTL-ZDUSSCGKSA-N 305.378 1.409 0 40 DDAB O=C1NC[C@@H](C(=O)Nc2nc(-c3ccccc3F)cs2)N1 89821273 WDNUKHNJHCFJSV-VIFPVBQESA-N 306.322 1.569 0 40 DDAB CN(C)CCn1ccc(NC(=O)NCc2ccc(Cl)nc2)n1 76081973 NWHTVNBMVIFGAN-UHFFFAOYSA-N 322.800 1.815 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)CC1 33534448 WEDLJPOUXKKRCL-KONPQCLYSA-N 310.482 1.826 0 40 DDAB Cc1noc(CNC(=O)c2csc(Nc3ncccn3)n2)n1 56907628 YAOYIPLLLOOXRP-UHFFFAOYSA-N 317.334 1.298 0 40 DDAB O=C1N[C@@]2(CCCN(C(=O)c3ccncc3)C2)Nc2ccccc21 72347509 JEPAIQOKJIMOCI-GOSISDBHSA-N 322.368 1.869 0 40 DDAB CCC[C@@H]1c2cccn2CCN1S(=O)(=O)N1CCOCC1 72351234 XWPMLGRFUADOHD-CQSZACIVSA-N 313.423 1.222 0 40 DDAB CCNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217538383 GFKCBVNYVOHHHG-UHFFFAOYSA-N 300.380 1.893 0 40 DDAB O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CCCS1(=O)=O 76823414 FEBYJHGYGMBXFX-ONGXEEELSA-N 301.314 1.630 0 40 DDAB CCOC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)C1 39645179 VCVHCJHNQOLOGK-LBPRGKRZSA-N 307.346 1.615 0 40 DDAB O=S(=O)(C1CC1)N1CCCN(c2nc3ccccc3o2)CC1 374619220 JHLRWJIOXXDPNN-UHFFFAOYSA-N 321.402 1.832 0 40 DDAB COc1cccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c1 30867823 WMCNBCRZMVCSTE-AWEZNQCLSA-N 322.405 1.301 0 40 DDAB Cn1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)n1 79495582 NHURQFNMQSIDEZ-UHFFFAOYSA-N 303.370 1.386 0 40 DDAB COc1ccccc1CC1CCN(C[C@@](C)(O)C(=O)O)CC1 568520588 HPFIAEMROVZCEY-QGZVFWFLSA-N 307.390 1.785 0 40 DDAB CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225690719 NPWQHNBSVVOTOS-UHFFFAOYSA-N 300.405 1.771 0 40 DDAB COc1cccc(OC)c1CCC(=O)NCCN1CCOCC1 225996042 BNXZCIAWOMSPMQ-UHFFFAOYSA-N 322.405 1.085 0 40 DDAB COc1ccc(CC(=O)NCCCN2CCOCC2)cc1C 223950389 MNSYTFHVNCRNBM-UHFFFAOYSA-N 306.406 1.385 0 40 DDAB Cc1cc(N2CCC[C@@H](NC(=O)c3cnccc3C)C2)n(C)n1 573863539 YWQRURUDIUCQPC-CQSZACIVSA-N 313.405 1.831 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@H](Oc3cccnn3)C2)s1 225412289 MTMOUXZBBSVLIL-NSHDSACASA-N 304.375 1.843 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@@H]2CSc3ccccc32)CC1 96411183 OKSGNACHWLRPSF-CQSZACIVSA-N 304.415 1.957 0 40 DDAB O=c1ccc2c(n1CC1CC1)CC[C@H](NC[C@@H]1CCOC1)C2 96189747 XECIUKWWXBFOKR-HOCLYGCPSA-N 302.418 1.742 0 40 DDAB C[C@H](CNC(=O)Cc1ccc(F)c(Br)c1)C(=O)O 96480528 NYOVZMGHXJKRIS-SSDOTTSWSA-N 318.142 1.968 0 40 DDAB O=C(c1cnc2n1CCN(Cc1ccoc1)C2)N1CCCC1 96198665 WHRCUHGSMSMZKC-UHFFFAOYSA-N 300.362 1.728 0 40 DDAB CN(C)C(=O)N[C@@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 96185850 RNNLESCASZBHRI-RBSFLKMASA-N 304.394 1.085 0 40 DDAB CCOC(=O)c1cc(Br)cn(CCOC)c1=O 143954845 LHJJQWMGHVNDAQ-UHFFFAOYSA-N 304.140 1.434 0 40 DDAB COc1ccnc(N2CC[C@H](OCCN3CCCCC3)C2)n1 96484305 WLOQVEQYYPLXKA-AWEZNQCLSA-N 306.410 1.566 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CCCO1)C2 96084752 BIYCFBIXGWCZGB-ZDUSSCGKSA-N 321.425 1.030 0 40 DDAB Nc1nccnc1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 97375051 VIQGBFCVBNVBOD-AWEZNQCLSA-N 312.373 1.533 0 40 DDAB Cc1nccnc1N1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 333456897 ZSYUQJKKMBHOEF-HNNXBMFYSA-N 323.400 1.559 0 40 DDAB COc1cc(COC[C@H](O)CN)cc(OC)c1Br 95096249 JJDJTTYLHKYLEV-SECBINFHSA-N 320.183 1.303 0 40 DDAB CC(C)CN1CCCC[C@@H]1CNC(=O)N1CC[C@H]([C@@H](C)O)C1 97372859 IUJPFQJGWKUVJG-OWCLPIDISA-N 311.470 1.909 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCC2)NCCCc1ccccc1 98211244 GBGFDHSMAIQGMP-UHFFFAOYSA-N 314.389 1.130 0 40 DDAB CC[C@H]1CN(C(=O)c2ncc(C)cc2O)C[C@]2(CCOC2)O1 330024610 AKFYQSOAENNULZ-LRDDRELGSA-N 306.362 1.506 0 40 DDAB Cn1ncnc1CN(c1ccc(Cl)cc1F)S(C)(=O)=O 96449278 CAZABCVKQSRHEA-UHFFFAOYSA-N 318.761 1.574 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3ccc(O)c(Cl)c3)C2)cn1 96410559 PYTGHBBUUZFUHS-NSHDSACASA-N 320.780 1.788 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3cccs3)C2)C1 96051922 AITYZCRPJUQZFC-GDBMZVCRSA-N 310.463 1.917 0 40 DDAB CN1[C@@H]2CN(Cc3ccccn3)C[C@@H]2C[C@@H]1C(=O)NCC1CC1 96185741 UUWIXHOIJNVBEJ-USXIJHARSA-N 314.433 1.112 0 40 DDAB O=C1CCCN1[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21 96057102 JNKWLJAFSMENEB-LXZKKBNFSA-N 304.390 1.881 0 40 DDAB CCOCc1cnc2n1CCN(C(=O)c1ccn(C)n1)[C@H]2C 96206006 GJBLVIOHYVRITP-NSHDSACASA-N 303.366 1.370 0 40 DDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O 249523003 PNVIOSVTZJPZIF-FVQBIDKESA-N 316.401 1.891 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2nccc3ccccc23)CCO1 257241300 HXOBVDNIIGCCOH-QGZVFWFLSA-N 313.357 1.212 0 40 DDAB COc1cccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCNC[C@H]23)c1 257250893 JOLYBOFDTUPPRG-RBSFLKMASA-N 310.419 1.032 0 40 DDAB C[C@]12CCN(C(=O)CO)[C@H]1CCC(=O)N2Cc1ccccc1 257228831 FVLGZTBELVVYIS-YOEHRIQHSA-N 302.374 1.161 0 40 DDAB CCN1C(=O)C(=O)N(CC)C1(OC)c1nc(Cl)c(Cl)[nH]1 255187894 HKUGPAMIICIPSL-UHFFFAOYSA-N 321.164 1.184 0 40 DDAB CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 257304804 SNEWNECFAVHQBO-QGZVFWFLSA-N 322.453 1.626 0 40 DDAB CN(Cc1ccc(-c2ccccc2C(=O)O)cn1)S(C)(=O)=O 257310824 UGTWMTUWOJYUKU-UHFFFAOYSA-N 320.370 1.838 0 40 DDAB CN(c1ccncn1)C1CC2(CCN(C(=O)c3ccnnc3)C2)C1 257227337 FOVFAGHYKXVQJI-UHFFFAOYSA-N 324.388 1.398 0 40 DDAB Cc1cc(N2CCC[C@H](NC(=O)c3cnccc3C)C2)n(C)n1 573863538 YWQRURUDIUCQPC-AWEZNQCLSA-N 313.405 1.831 0 40 DDAB CCc1ccc(NC(=S)N[C@H]2CCS(=O)(=O)C2)s1 575420314 AOYBJGUIXDVMNK-QMMMGPOBSA-N 304.462 1.784 0 40 DDAB CCCc1ccc(C(=O)Cn2nnc(CCC(=O)OC)n2)cc1 585141041 OBWFZBLBVYXYNP-UHFFFAOYSA-N 316.361 1.614 0 40 DDAB C1CO[C@H](CN(Cc2nnnn2C2CC2)C[C@H]2CCCO2)C1 44949111 UGJRLQOZWHKGLM-OKILXGFUSA-N 307.398 1.168 0 40 DDAB OCc1ccnc(N2CCC[C@@H]2Cn2cnc3ccccc32)n1 546635720 KMHHSKKBAUYHNX-CQSZACIVSA-N 309.373 1.988 0 40 DDAB CCOC(=O)COCCSc1nc2nc(C)cc(C)n2n1 95410215 MMRDNLKIHWOGOW-UHFFFAOYSA-N 310.379 1.413 0 40 DDAB CCNc1ncc(C(=O)N2CCC(n3ccnn3)CC2)s1 95979273 BDTAHZRHHPKMQL-UHFFFAOYSA-N 306.395 1.644 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)O 88376654 VBQBAMQBOXNBCY-SNVBAGLBSA-N 319.766 1.123 0 40 DDAB CC(=O)Nc1cccc(OC[C@H](C)OC(=O)CCC(=O)O)c1 5515619 LIVFZXKUUVCPMS-JTQLQIEISA-N 309.318 1.820 0 40 DDAB COC[C@@H](C)NS(=O)(=O)c1ccccc1Br 5120680 SNAIUCZYPRKWSU-MRVPVSSYSA-N 308.197 1.762 0 40 DDAB Cc1ccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 18177656 NDZVQAUCZLZRHC-UHFFFAOYSA-N 319.386 1.964 0 40 DDAB CCn1cc(S(=O)(=O)Nc2nccc(C3CC3)n2)nc1C 530157960 YHVDGGFJCRYFAG-UHFFFAOYSA-N 307.379 1.680 0 40 DDAB OC[C@]1(Cc2ccccc2)CN(Cc2cscn2)CCO1 643914980 ZZTARHKOEAEXTK-INIZCTEOSA-N 304.415 1.949 0 40 DDAB CN1CCN(C2=NS(=O)(=O)c3cc(Cl)ccc3N2)CC1 31983814 JPZVJONKWYICFB-UHFFFAOYSA-N 314.798 1.058 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 220815 LXTOCXCBURQHBZ-LBPRGKRZSA-N 314.407 1.348 0 40 DDAB COc1ccc(CC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1F 7118623 NYWRIINQBCUPBV-UHFFFAOYSA-N 318.348 1.998 0 40 DDAB COc1cnc(C(=O)N2CCC([C@H]3CCCCN3C)CC2)nc1 1614927430 RRBONKVEFUEKOY-OAHLLOKOSA-N 318.421 1.822 0 40 DDAB Cc1nc(C(=O)N2C[C@@H]3CCN(CC4CC4)C(=O)[C@H]3C2)cs1 1565552190 WFDHPORKCKQWRS-STQMWFEESA-N 319.430 1.782 0 40 DDAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3csnn3)CC2)C1 1565545191 XAYXUVZTWXKBQB-NSHDSACASA-N 310.423 1.254 0 40 DDAB O=C([C@H]1CCCO1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 4165378 LRKRUIXXKFCZBL-UONOGXRCSA-N 307.371 1.509 0 40 DDAB COC(CNc1ncnc2c1cnn2-c1ccc(F)cc1)OC 10386092 DQRBNDDJOXYNMY-UHFFFAOYSA-N 317.324 1.985 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2cccc(C)c2)NC(=O)N[C@]1(O)C(F)(F)F 102824038 UCQANRNMCGXMLU-NQBHXWOUSA-N 316.279 1.805 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccncc1F)C2 618257366 UYVMTDOHBBQZLS-NSHDSACASA-N 315.352 1.364 0 40 DDAB Cc1csc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc12 2298196409 JCSGYAXDZTWGTR-UHFFFAOYSA-N 318.402 1.295 0 40 DDAB Cc1cc(=O)n2ncnc2n1C[C@H](O)c1cc(F)ccc1F 51319812 GPCBPMWTCBPJFC-LBPRGKRZSA-N 306.272 1.211 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c(OC)c1 101304325 MWDYKHNXLCGCKQ-DYDIJXKYSA-N 317.341 1.840 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1 41130678 UXAUYVAGYAMUPK-LBPRGKRZSA-N 324.384 1.308 0 40 DDAB CC(C)n1ncc2cc(NC(=O)[C@H]3CCS(=O)(=O)C3)cnc21 32820834 QRXWBOCBYIAKKN-JTQLQIEISA-N 322.390 1.385 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1O 102634315 OAKPQGKECPLVPX-WBRVRECLSA-N 303.314 1.862 0 40 DDAB CC(C)OCCCNC(=O)CCn1c(=O)n(C)c2ccccc21 32904290 XIOKBTOHHIHEGM-UHFFFAOYSA-N 319.405 1.661 0 40 DDAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc[nH]n1 52779259 XTWRPYMPQGFEPV-UHFFFAOYSA-N 317.368 1.101 0 40 DDAB O=C(CN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCNC1=O 53369470 ISMPZMYIFVHLEN-CYBMUJFWSA-N 323.780 1.265 0 40 DDAB Cc1cccc(NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)c1C 115619 UYFMIYUUOBSTIK-VIFPVBQESA-N 320.374 1.194 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 9051754 WVKIRKFBGOPNLO-LLVKDONJSA-N 309.753 1.999 0 40 DDAB NS(=O)(=O)CC1CCN(c2ncnc3sccc23)CC1 72281440 NOCNMZHKBSYQPF-UHFFFAOYSA-N 312.420 1.196 0 40 DDAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 814212 WWXYWENATOPTMB-JQWIXIFHSA-N 302.252 1.579 0 40 DDAB C[C@H](C(=O)N1CCN(c2ncccc2Cl)CC1)n1ccnc1 54100220 QPQLHTJLLDVRIG-GFCCVEGCSA-N 319.796 1.841 0 40 DDAB CCC(=O)N1CCC[C@H](C(=O)N(C)c2cccnc2N(C)C)C1 79722546 RSSVLETZQRIECX-ZDUSSCGKSA-N 318.421 1.759 0 40 DDAB CCS(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 2777966 SBMNNUVHRUJBDT-UHFFFAOYSA-N 300.771 1.741 0 40 DDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184757 YMWFHSQAAOPGHO-XDQVBPFNSA-N 313.309 1.306 0 40 DDAB Cc1[nH]ncc1C(=O)NC[C@@H](CO)Cc1ccc(Cl)cc1 95407032 CMSWEWNPJICYPY-LBPRGKRZSA-N 307.781 1.953 0 40 DDAB Cn1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2)n1 55135647 KTPVSWKRLCTXSW-UHFFFAOYSA-N 304.325 1.708 0 40 DDAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCN1CCOCC1 8041076 ZOKXUVARCGJVOU-MRXNPFEDSA-N 306.406 1.601 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1 8053693 NUXOGMVDOZYUDI-UHFFFAOYSA-N 318.406 1.529 0 40 DDAB O=C(NCc1ccccc1)C1CCN([C@H]2CCOC2=O)CC1 24858795 HBRBRVZFHODDQC-HNNXBMFYSA-N 302.374 1.330 0 40 DDAB O=C(NCCn1ccnc1)N1CCO[C@@H](c2ccc(F)cc2)C1 43310854 IDWTZJIYFWWHGO-OAHLLOKOSA-N 318.352 1.805 0 40 DDAB CCN(CC(=O)N[C@H](C)c1ccccc1)C[C@@H](C)C(=O)OC 106582954 WWBWRFHOSSSJKS-ZIAGYGMSSA-N 306.406 1.995 0 40 DDAB CN(C)c1ccc(CCCNC(=O)Cn2cccnc2=O)cc1 25140710 RXGMOIHHCPJGAO-UHFFFAOYSA-N 314.389 1.058 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)n1 43486140 QNHZBFXBGTVEEU-AWEZNQCLSA-N 300.362 1.382 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@@H](O)Cn1cccn1 107049023 YJFLVBKPJCYARX-CHWSQXEVSA-N 323.828 1.776 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2cccc(Cl)c2C)CC1 35362522 XVEREHVITATVKL-UHFFFAOYSA-N 309.797 1.751 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C1CCCCC1 57419766 OCZIJLPPOJSBHT-ZIAGYGMSSA-N 314.451 1.928 0 40 DDAB Cc1cccc(NC(=O)[C@H](Cc2ccncc2)c2nnn[nH]2)c1 57523514 JZZLLWBVHGVZTH-CQSZACIVSA-N 308.345 1.868 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 27576905 BHZCXFKYAYSKHP-LLVKDONJSA-N 313.375 1.257 0 40 DDAB NC(=O)NC(=O)CCN1CCC[C@H]1Cc1ccccc1Cl 58157850 GGVFKCMVBJUQSL-LBPRGKRZSA-N 309.797 1.932 0 40 DDAB O=C1NC(=O)[C@@H]([C@H]2SC(=O)N(c3ccccc3)C2=O)S1 100849705 GKDDNAZFVLWENB-HTQZYQBOSA-N 308.340 1.607 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1 10376458 PEAAPKYFTMXNKV-UHFFFAOYSA-N 301.331 1.300 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)NC[C@H]1CCCN1C)C2 58344234 HZGJZWJMXYBQHZ-ZIAGYGMSSA-N 304.390 1.457 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)CNc1ccc(-n2cnnn2)cc1 58323158 OSFPZLFDWZVTES-STQMWFEESA-N 314.393 1.864 0 40 DDAB CCOC(=O)N1[C@@H]2C3C4[C@H]5C=C[C@H]4[C@@H]([C@@H]25)[C@H]3N1C(=O)OCC 104287373 RSHGBAWRRZYYBS-GLYQBHKHSA-N 304.346 1.877 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(Cc4cccnc4)C[C@H]3C2=O)cn1 107254588 MVCKRQMVDQOPSS-GDBMZVCRSA-N 311.389 1.300 0 40 DDAB C[C@]1(C(=O)NC(N)=S)CC1(Br)Br 2361561 ULWRDQDJPNHDGV-RXMQYKEDSA-N 316.018 1.242 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1F 29085885 WYAJSMSJGXSDQV-KGLIPLIRSA-N 303.337 1.944 0 40 DDAB COc1ccc(S[C@H](C)C(=O)N2CCN(C)CC2)cc1OC 20486587 XXTDCWHJNPHUSC-GFCCVEGCSA-N 324.446 1.958 0 40 DDAB Cc1nn(C)cc1N1C(=O)/C(=C/c2cnn(C)c2)N=C1S 2537686 ZFWJTOAYKPVANY-WMZJFQQLSA-N 302.363 1.136 0 40 DDAB NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1 12047692 ZLRCCHLTEKAJRY-SFHVURJKSA-N 324.380 1.897 0 40 DDAB Cn1ccnc1[C@@H](Nc1ccc2nnnn2n1)c1cccc(F)c1 9113886 SAVVHZRDOCKRQB-AWEZNQCLSA-N 324.323 1.593 0 40 DDAB COCCSc1ncnc2c1c(Br)nn2C 72304134 OTSOZGOFUPPDEW-UHFFFAOYSA-N 303.185 1.864 0 40 DDAB O=C(NCCSC(F)(F)F)c1sccc1-n1cnnn1 48782067 BWHKRHNTCNBQAD-UHFFFAOYSA-N 323.325 1.707 0 40 DDAB COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn21 13732733 JTQHWWONVPXHSV-NSHDSACASA-N 315.333 1.426 0 40 DDAB Cc1ccc(OCCCC(=O)N2CCC(C(N)=O)CC2)cc1 13997630 CNIISCILLPKNEK-UHFFFAOYSA-N 304.390 1.878 0 40 DDAB NC(=O)[C@H](OC(=O)CN1CCCCCC1=O)c1ccccc1 14050678 YUUIMZJPHPSEID-OAHLLOKOSA-N 304.346 1.159 0 40 DDAB COC(=O)c1c(C)nn(CN2CCO[C@@H]3CCCC[C@@H]32)c1C 65550440 WXPJMHBDALDPGO-UONOGXRCSA-N 307.394 1.887 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)[C@@]1(N(C)C)CCc2ccccc21 65550254 NNDAFLZSGNWILK-FZKQIMNGSA-N 317.433 1.421 0 40 DDAB CCOc1ncnc2c1CN(Cc1nnsc1Cl)CC2 97201809 SCCAEQSGSKEONU-UHFFFAOYSA-N 311.798 1.939 0 40 DDAB CCC[C@@H](C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 4682042 NVQSJJWSUKSPNC-LLVKDONJSA-N 316.398 1.897 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CCc1ccco1)C2=O 14711212 ZZUUEHVXGATVTK-UHFFFAOYSA-N 319.361 1.744 0 40 DDAB CC[C@@H](c1nnc(SCC(=O)N2CCOCC2)o1)N(C)C 6939989 SXKBQJGNVGKHTH-JTQLQIEISA-N 314.411 1.033 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc3cn[nH]c23)C1 96419346 JEARJJZSTMOHHX-VXGBXAGGSA-N 321.402 1.649 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H](O)C1 7063719 ASODUIFYPFQKBL-LSDHHAIUSA-N 323.389 1.094 0 40 DDAB CCc1nnc(CN2CCCN(C(=O)c3ccccn3)CC2)o1 71828156 NSSSJUQMZPTBQD-UHFFFAOYSA-N 315.377 1.375 0 40 DDAB CCCCCC[C@@](C)(NCC(=O)NC(N)=O)C(=O)OCC 71893008 DHKLGJKVOPFNBP-CQSZACIVSA-N 301.387 1.063 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)c(F)c1 7413853 WNNCMVYUHKCIHX-LLVKDONJSA-N 311.309 1.286 0 40 DDAB CC(=O)NCCCNC(=O)CCN(Cc1ccccc1)C(C)=O 71854160 QBNGLFYJJQVFHN-UHFFFAOYSA-N 319.405 1.068 0 40 DDAB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1sccc1C(N)=O 7635599 QKJZPSCIPBQSRE-QMMMGPOBSA-N 321.358 1.370 0 40 DDAB O=C(c1cn2ccccc2n1)N1CCN(c2ncccn2)CC1 7738687 GBPGLBBMHMKNCD-UHFFFAOYSA-N 308.345 1.087 0 40 DDAB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 16102449 KWBXEOTZQGMCDJ-RYUDHWBXSA-N 308.359 1.014 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc2c(c1)OCO2 71903701 NBFQBEMMDOJDFH-SNVBAGLBSA-N 313.375 1.311 0 40 DDAB Cc1nccn1CCCC(=O)N1CCC[C@H]1Cn1cccn1 70039907 PTVXJVPKIIJBCS-HNNXBMFYSA-N 301.394 1.859 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1 69463871 BCHVMEHQVSSYLL-JKSUJKDBSA-N 318.421 1.838 0 40 DDAB COc1ccc(CC(=O)NCC2CCN(CCO)CC2)cc1 83944018 NUNMFBSPUOZKDC-UHFFFAOYSA-N 306.406 1.058 0 40 DDAB CCCN1CC2=C(C1=O)[C@H](c1ccc(OCC)cc1)NC(=O)N2 8878101 PCPHHMXYKBZBHT-HNNXBMFYSA-N 315.373 1.946 0 40 DDAB OC[C@@H]1CCCN1c1cc(N2CC[C@H](N3CCCC3)C2)ncn1 72276266 IKLDRJATFVFKNK-GJZGRUSLSA-N 317.437 1.112 0 40 DDAB CCOC(=O)[C@@H](CC)N1CCN(Cc2noc(C3CC3)n2)CC1 72296289 NSUAGTQXUNBFRI-CYBMUJFWSA-N 322.409 1.406 0 40 DDAB Cc1cc(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)n(C)n1 95436398 SGKZARYFINIBGD-UHFFFAOYSA-N 319.434 1.764 0 40 DDAB CN(CC(C)(C)O)C(=O)NCC[S@@](=O)c1ccccc1F 95411359 CGGYKMYAFKEONY-NRFANRHFSA-N 316.398 1.346 0 40 DDAB NC1=NC(=O)[C@H](CC(=O)NCC2C3CC4CC(C3)CC2C4)S1 95979819 WTVPDMUKOZZOAI-RPEQISJESA-N 321.446 1.522 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1c1ncnc2cc(F)c(F)cc12 95961960 CFQUCUIYVVGPTJ-DTWKUNHWSA-N 306.316 1.998 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 89289740 XKWADQPBYAYORG-LBPRGKRZSA-N 320.418 1.961 0 40 DDAB CS(=O)(=O)CCN1CCO[C@@H](c2ccc(Cl)s2)C1 75023709 AXLIVNVUBVGPPN-SECBINFHSA-N 309.840 1.819 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c1 75130473 XHDFPNKWBCPUPF-AWEZNQCLSA-N 301.394 1.906 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 75122373 DPPQJKWJQVEGII-LLVKDONJSA-N 302.334 1.395 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 76020312 SJRWJDMABOPSCJ-UONOGXRCSA-N 310.419 1.801 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3cscn3)CCO2)n1 76044839 SHLNTLPAXBAFPC-NSHDSACASA-N 307.379 1.102 0 40 DDAB COc1cc(C)ccc1OCCC(=O)NCc1ccnn1C 67161267 QPVRENBJJFVTSC-UHFFFAOYSA-N 303.362 1.822 0 40 DDAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H]3C[C@H]32)ccc1F 521394172 MCTLQGOKXLTPLZ-QMTHXVAHSA-N 312.366 1.957 0 40 DDAB O=C(CCCn1cnnn1)Nc1nc2c(s1)CCCCC2 524732619 SBIQFNXDGNTUGV-UHFFFAOYSA-N 306.395 1.817 0 40 DDAB NC(=O)CN1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1 72367854 FWZFTPFVMAWZTJ-ZDUSSCGKSA-N 312.373 1.934 0 40 DDAB CNc1ccc([C@@H]2CN(C(=O)c3nccn3C)CCO2)nc1 72388077 BKVQJGWQWCOVJN-ZDUSSCGKSA-N 301.350 1.071 0 40 DDAB Cc1cc([C@](C)(O)CNc2cnn(C)c(=O)c2Cl)c(C)o1 78308489 BZQYFCRHSARHAG-CQSZACIVSA-N 311.769 1.963 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(N)C(=O)O 218573539 QFGKNOHDHKYYJJ-NHCYSSNCSA-N 303.767 1.023 0 40 DDAB Cn1c(C(=O)N2CC[C@](CO)(c3ccccc3)C2)cccc1=O 558655136 XFBDRLPHDULUGC-SFHVURJKSA-N 312.369 1.162 0 40 DDAB COCCC1(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCC1 125338693 AVGNKVQBLLLQHF-OAHLLOKOSA-N 322.449 1.958 0 40 DDAB CCn1nccc1C1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 566540082 FBSYEEKYJWISJX-DMZKTXOQSA-N 324.450 1.313 0 40 DDAB CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CCN(CC(F)(F)F)C1=O 79002115 JPFGWBXTUYIFDR-MNOVXSKESA-N 304.312 1.964 0 40 DDAB CC1(c2[nH]ncc2C(N)=O)CCN(C(=O)C2CCCC2)CC1 72388885 UZOKSBKTPAHPKX-UHFFFAOYSA-N 304.394 1.579 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(CCO)C2)n1 72382630 HKHGICYOHFPYLY-GFCCVEGCSA-N 300.366 1.100 0 40 DDAB CN(CCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)C1CC1 195538815 MBFANLYDDRMJBO-LSDHHAIUSA-N 321.421 1.971 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2scnc2C)C1 225809063 PNHSJWLQGSQVBY-SNVBAGLBSA-N 320.374 1.544 0 40 DDAB COCCNC(=S)Nc1nc(Cl)cc(N2CCCC2)n1 225899696 GQXJZDAYRMUION-UHFFFAOYSA-N 315.830 1.663 0 40 DDAB CN(C)c1ccc([C@@H](O)CNC(=O)NC2CCOCC2)cc1 225557719 JMJMOAWHSFFDAL-HNNXBMFYSA-N 307.394 1.264 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1 96181586 IORIWPABUKOWAU-DLBZAZTESA-N 316.401 1.906 0 40 DDAB CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3cccnc3)C2)O1 96052295 OWGGTNZSCUXPGU-IRXDYDNUSA-N 305.422 1.393 0 40 DDAB CN(CC(=O)N1CC=C(c2cccs2)CC1)S(C)(=O)=O 96409964 SIIZLDXZEGPCKF-UHFFFAOYSA-N 314.432 1.255 0 40 DDAB Cn1cnnc1CN1CCN(c2ccc(F)cc2Cl)CC1 95441426 PCYOWVYZWOBHGO-UHFFFAOYSA-N 309.776 1.930 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(Cc2nccs2)CC12CCOCC2 96052095 PEFGURDFOWEWAW-ZDUSSCGKSA-N 323.462 1.896 0 40 DDAB O=S(=O)(CNS(=O)(=O)c1ccccc1)c1ccccc1 145488420 HOSNOHWOWOLYSN-UHFFFAOYSA-N 311.384 1.396 0 40 DDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 96182237 DXFDBSBZAIZVJA-GASCZTMLSA-N 311.389 1.019 0 40 DDAB COc1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1 96113225 ZOPKQZBNLOFNNW-CQSZACIVSA-N 318.329 1.603 0 40 DDAB biogenic,in-vitro CCNC(=O)NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 96492400 AUOLKOLRRDMNHI-ZDUSSCGKSA-N 318.421 1.783 0 40 DDAB Cc1ncccc1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414055 UPZLTSYFXSMFMC-SECBINFHSA-N 301.268 1.283 0 40 DDAB CN(C)C(=O)OCCn1nc(-c2ccc(F)cc2)ccc1=O 97098610 FUCUKCHVGXGUDF-UHFFFAOYSA-N 305.309 1.748 0 40 DDAB CCO[C@H]1C[C@H](N(C)CC(=O)N2CCOCC2)C12CCCC2 96419680 NLJKOKMUNUNNAJ-GJZGRUSLSA-N 310.438 1.515 0 40 DDAB Cc1cccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)n1 96044178 HRTAABFRCAJNII-HNNXBMFYSA-N 323.404 1.510 0 40 DDAB CC1CCN(C[C@@H](O)COc2cccc(-n3cnnn3)c2)CC1 95439038 UMZKRTHXIKNJTL-OAHLLOKOSA-N 317.393 1.134 0 40 DDAB Cc1cccc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1 96101338 XHNJFFWGAFPMDL-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB CN(C)C[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 248149014 WTYKVWBKKXMSBP-ZDUSSCGKSA-N 315.377 1.507 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 245777275 YJIAZQULELQLNO-MRVWCRGKSA-N 312.435 1.917 0 40 DDAB COc1ccccc1CN1Cc2ccnn2[C@H](C(=O)N(C)C)C1 248024646 RYXQSNBFSZRHQC-HNNXBMFYSA-N 314.389 1.537 0 40 DDAB Cc1ncncc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257270452 MUHBTULYXWVDEC-CQSZACIVSA-N 313.361 1.747 0 40 DDAB CCCNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1 257248647 JEPQFHFJDBRZJI-ZBFHGGJFSA-N 304.390 1.749 0 40 DDAB COc1ccc(CN2CCN(C)C[C@H](C(=O)N(C)C)C2)c(F)c1 257217490 CZFAMXBNJZWSEL-AWEZNQCLSA-N 323.412 1.286 0 40 DDAB CNC(=O)[C@]1(C)CN(Cc2c[nH]nc2-c2cccs2)CCO1 257263380 LPQFBEBTOKVDLO-HNNXBMFYSA-N 320.418 1.475 0 40 DDAB Cc1ncoc1C(=O)N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O 257286227 PKUGFPCWTOYXIP-FMKGYKFTSA-N 315.329 1.088 0 40 DDAB Cc1cc(N2CCC[C@@H](CO)C2)n2nc(C(F)(F)F)nc2n1 26691379 ZBPVMSHKSIHQAK-SECBINFHSA-N 315.299 1.660 0 40 DDAB c1cncc(OC[C@H]2CCOC23CN(CC2CCOCC2)C3)c1 253476539 ABBMVBKWJDWCRA-MRXNPFEDSA-N 318.417 1.978 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257318738 VPEHJYFKOMGPMI-CQSZACIVSA-N 301.394 1.758 0 40 DDAB Nc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 257201748 AIWYHTALTSCWRM-OAHLLOKOSA-N 324.384 1.761 0 40 DDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 26756794 RJNYCTHVFDVAOU-AMIZOPFISA-N 320.349 1.039 0 40 DDAB CC(C)(CNS(=O)(=O)N1CCCCC1)N1CCCCC1 26885607 NYORBOAHXYVOON-UHFFFAOYSA-N 303.472 1.571 0 40 DDAB C[C@H]1COCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 26846705 XIVLRHWHPZTDCH-LBPRGKRZSA-N 324.402 1.223 0 40 DDAB COc1nccc(NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 282657039 MLZLPFBOINFWTO-SECBINFHSA-N 307.354 1.006 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@H](c3nc(C)cs3)C2)on1 65458701 OVPKVUMGDBRIBE-NSHDSACASA-N 322.390 1.760 0 40 DDAB CCN1CCCN(C(=O)c2ccccc2OCCOC)CC1 69533119 MDLVASGYXGGVLK-UHFFFAOYSA-N 306.406 1.880 0 40 DDAB CNC(=O)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C 31871007 ULNFOXSDJOGDCS-ZETCQYMHSA-N 310.737 1.864 0 40 DDAB CC(C)(C)C(=O)CN1CCC(n2nnn(C3CC3)c2=O)CC1 72335782 ICPLGLACGITXNR-UHFFFAOYSA-N 307.398 1.027 0 40 DDAB CC(C)CS(=O)(=O)NCC1CCN(c2ncccn2)CC1 43955376 GDVBSFKJRLNLLQ-UHFFFAOYSA-N 312.439 1.268 0 40 DDAB C[C@@H](c1ccccc1)N(C)CC(=O)N[C@@H]1CCCCNC1=O 58342504 ZYJWAACKKRQOTK-DZGCQCFKSA-N 303.406 1.464 0 40 DDAB CN1CCO[C@H](C(=O)N2CCc3c2cccc3C(F)(F)F)C1 97136825 QKHRMASTWUQHQT-ZDUSSCGKSA-N 314.307 1.925 0 40 DDAB NC(=O)c1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 12490630 MXSBMDNEDJEGOH-UHFFFAOYSA-N 322.368 1.955 0 40 DDAB NC(=O)c1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12939462 XREGHWHXVCPMMI-UHFFFAOYSA-N 317.370 1.606 0 40 DDAB NS(=O)(=O)c1cc(OC(F)(F)F)ccc1Br 200941057 QTDPJLBVWSUXGZ-UHFFFAOYSA-N 320.086 1.995 0 40 DDAB Cc1cnc2cc(C(=O)NC[C@H]3CC[C@H](C(N)=O)CC3)ccn12 521898130 RXFVDEONRJCLNF-JOCQHMNTSA-N 314.389 1.664 0 40 DDAB CCn1nnc2cc(C(=O)OCC(=O)NCCC(C)C)ccc21 5805054 PUXPVWXRJGJHSY-UHFFFAOYSA-N 318.377 1.770 0 40 DDAB COc1cccc(S(=O)(=O)N2CC(Cn3cc(C)cn3)C2)c1 1848712119 HSKRDGANKINORZ-UHFFFAOYSA-N 321.402 1.521 0 40 DDAB O=C1NCCCC[C@H]1N1CCC(Oc2ncc(Cl)cn2)CC1 1888834121 QQWDFSUZEZWGRT-CYBMUJFWSA-N 324.812 1.642 0 40 DDAB COc1ccnc(N2C[C@H]3CN(Cc4cc(C)on4)C[C@@H]3C2)n1 1888843373 GPMGBKAJYRLFBD-CHWSQXEVSA-N 315.377 1.350 0 40 DDAB Cc1nnc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)o1 1889101413 RYQLEQJJUWJNDC-LBPRGKRZSA-N 310.423 1.165 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cncc(Br)c1 24470457 RYWJPFDPZPGAFE-UHFFFAOYSA-N 309.167 1.850 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)NCCSC1CCOCC1 238893143 QUSKBJJCSNWGTK-UHFFFAOYSA-N 323.414 1.986 0 40 DDAB O=C(Cc1cccc2ccccc12)N1CC(N2C(=O)CCC2=O)C1 238865242 LPZPDOWAYHEBMA-UHFFFAOYSA-N 322.364 1.742 0 40 DDAB COCCC(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037905549 CWOHJQOKGIKQEY-QGZVFWFLSA-N 307.390 1.846 0 40 DDAB O=C1C[C@H](c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CN1 109394 HHMXBZQYBYQZTA-ZDUSSCGKSA-N 322.430 1.901 0 40 DDAB COCC(=O)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 4165229 DHJGPOYWUFNHCX-LBPRGKRZSA-N 315.778 1.630 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(O)c2)n2nnnc2N1 15080062 HZODTFOVTIMMDC-ZDUSSCGKSA-N 315.333 1.619 0 40 DDAB Cc1cc(NCCn2nc(C3CC3)ccc2=O)n2nc(C)cc2n1 1775974278 ZOWWVCXKSHSZJA-UHFFFAOYSA-N 324.388 1.892 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)no1 38936666 KTERWEUMTZJDQP-LLVKDONJSA-N 323.349 1.114 0 40 DDAB CCCc1nnsc1C(=O)N1CC[C@@H](Oc2cnccn2)C1 225794207 MZPJKPUPWIXHDI-SNVBAGLBSA-N 319.390 1.574 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccc(-n2ccc(C)n2)cc1 40118690 XAVQBLCJYPSJSH-UHFFFAOYSA-N 301.346 1.862 0 40 DDAB Cc1[nH]c2nc(NC(=O)c3cccc(Cl)c3)nn2c(=O)c1C 100650698 UQFYDEAOCDIHNN-UHFFFAOYSA-N 317.736 1.940 0 40 DDAB O=C(NC1=NCCS1)c1ccc(CSc2ncn[nH]2)cc1 40457633 KLSHZMARGYUWMM-UHFFFAOYSA-N 319.415 1.930 0 40 DDAB CCCn1nccc1NC(=O)c1cccc(OCC(N)=O)c1 31769188 JRTNKVGGPGFDAT-UHFFFAOYSA-N 302.334 1.410 0 40 DDAB COCCCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 31735868 PXNDAANOMRDWBM-JTQLQIEISA-N 307.329 1.193 0 40 DDAB CC(C)N(C)S(=O)(=O)N(C)C[C@@H]1COc2ccccc2O1 40528025 LGIRFPPEKMWRFB-GFCCVEGCSA-N 314.407 1.343 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 40529724 DBYWQNGHXMDJKS-CYBMUJFWSA-N 319.386 1.098 0 40 DDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCc2ccccc2C1 20731869 VVLCYNSHDDGLDX-UHFFFAOYSA-N 323.331 2.000 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 41126237 QHPKNUDRFNOTKR-SNVBAGLBSA-N 302.309 1.163 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2COCCO2)cc1OC 32936613 RCSQNDREUXCPJN-BBRMVZONSA-N 321.373 1.783 0 40 DDAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)O)c1 21808972 JDLCGBGRRYRBBS-VIFPVBQESA-N 306.343 1.853 0 40 DDAB NC(=O)c1cccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1 33065485 IVNRPMGFCUMJFZ-UHFFFAOYSA-N 301.277 1.276 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 103090588 UBHKMFOTFQROLB-SOUVJXGZSA-N 316.401 1.984 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCCNS(C)(=O)=O 76957307 QFQBLWWPWVATRE-KBPBESRZSA-N 310.419 1.154 0 40 DDAB O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 37518406 CQMYIZIZBACJQZ-ZJUUUORDSA-N 303.236 1.922 0 40 DDAB COc1cc2[nH]c3c(N4CCNCC4)ncnc3c2cc1OC 9047259 VOXLFMHXEISDQC-UHFFFAOYSA-N 313.361 1.538 0 40 DDAB CC(C)c1ccc(OCC(=O)OCC(=O)N2CCNC2=O)cc1 23071120 OVHGVBUKZHQDJB-UHFFFAOYSA-N 320.345 1.284 0 40 DDAB C[C@H](CNC(=O)NCCc1cccs1)CN1CCN(C)CC1 78869503 MKLNVIGNBNGPAN-CQSZACIVSA-N 324.494 1.473 0 40 DDAB NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(-n2cccn2)ccn1 79015820 JOIRMZJFQZXHJC-QWHCGFSZSA-N 313.361 1.041 0 40 DDAB Cc1c(Cl)cc(NC(=O)Cn2cnnn2)c(O)c1Cl 2736761 SDLHWQMTADDKHQ-UHFFFAOYSA-N 302.121 1.633 0 40 DDAB COc1ccc(NC(=O)COC(=O)C2=COCCO2)c(OC)c1 3468056 VJVAUUMKVQPPRY-UHFFFAOYSA-N 323.301 1.074 0 40 DDAB CN1CCO[C@@H](CNC(=O)N[C@@H]2CCCc3ccccc32)C1 104800030 SLEJEEUCIAISAJ-GOEBONIOSA-N 303.406 1.694 0 40 DDAB COc1ccc([C@]2(OC)Oc3ccccc3C(=O)C2(O)O)cc1 4945947 MUWFMAGTDJWRSG-KRWDZBQOSA-N 316.309 1.451 0 40 DDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCOCC1 6361431 TVZHFAJTJOFVGT-UHFFFAOYSA-N 320.433 1.568 0 40 DDAB CCC[C@H]1N=c2sc(=C(C)C)c(=O)n2C(C)=C1C(=O)OCC 6593621 DWSYIRSKUCJZGL-LLVKDONJSA-N 322.430 1.696 0 40 DDAB Cn1cc(CCC(=O)N2CCN(c3nccs3)CC2)cn1 54832697 ZWFDUYBWEBTQCJ-UHFFFAOYSA-N 305.407 1.158 0 40 DDAB CCN1CCC(N(C(=O)c2ccc(C(N)=O)cc2)C2CC2)CC1 58261857 SATFNZMXPCYJFL-UHFFFAOYSA-N 315.417 1.874 0 40 DDAB Cc1noc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)n1 106776312 FXRFJJCRAWTAJR-BBRMVZONSA-N 316.405 1.618 0 40 DDAB Cc1cc(NC(=O)NCC(=O)N(C)Cc2ccccc2)no1 56342072 BRIWWDDGQCOGFH-UHFFFAOYSA-N 302.334 1.763 0 40 DDAB C[C@]12[C@H]3[C@H]4C[C@@]1(C)[C@@]2(C)[C@@H]3n1c(=O)n(-c2ccccc2)c(=O)n14 104290726 CTIJZJVAEPNQFT-PIZHTFHVSA-N 309.369 1.963 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 58162133 VQPNPTVDTLOBSY-SWLSCSKDSA-N 316.357 1.556 0 40 DDAB CN1N[C@@H](c2cccnc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 101130150 BNLSUSHGDMKRKX-OWCLPIDISA-N 322.368 1.127 0 40 DDAB CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 44895749 OJYSPBWXBDAMDA-UHFFFAOYSA-N 324.324 1.521 0 40 DDAB CCOc1ncccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 58264982 ZSLAUKWXUQWXCO-OLZOCXBDSA-N 305.378 1.073 0 40 DDAB O=C(NCCCn1cccn1)NC[C@@H](O)c1ccccc1F 44955351 IDWJTZBAXCTGMA-CQSZACIVSA-N 306.341 1.445 0 40 DDAB CCN(C(C)=O)c1nc(CN2CCc3c(ncn3C)C2)cs1 84779704 WRCHWKDKCCUNCN-UHFFFAOYSA-N 319.434 1.808 0 40 DDAB Cc1cccc(N2CCN(CCCNC3=NCCCN3)CC2)c1 58307627 VKKBFNMFCBTNHQ-UHFFFAOYSA-N 315.465 1.446 0 40 DDAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)n(C)n1 58393091 CCGCLDSLRADDHI-AWEZNQCLSA-N 302.378 1.888 0 40 DDAB O[C@@H](Cn1nnc(-c2cccnc2)n1)c1ccc(F)cc1F 58304647 QCMOIOXQGHWWFP-ZDUSSCGKSA-N 303.272 1.747 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)s1 58328808 ZPBQUHBZXZJVIN-LBPRGKRZSA-N 310.419 1.671 0 40 DDAB O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)ccc1Cl 100186048 MEUJYCDUNRJSPF-FIQHERPVSA-N 319.700 1.481 0 40 DDAB CN(C)C1(CNS(=O)(=O)N(C)C2CCCCC2)CCCC1 45744224 DXUHBDAXFAKXCA-UHFFFAOYSA-N 317.499 1.960 0 40 DDAB COCCOCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 48301601 MPMUCZAUVZJALW-STQMWFEESA-N 323.393 1.297 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C(C)C 29208671 YLWIPDLJYJVXGQ-OAHLLOKOSA-N 320.393 1.017 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](O)COc2cccc(F)c2)no1 46498914 QMFRTDXQCSDUTA-LLVKDONJSA-N 309.297 1.684 0 40 DDAB COc1ccc(OCc2nc3c4cnn(C)c4ncn3n2)cc1 2800763 QNFRKAHSZSOXHT-UHFFFAOYSA-N 310.317 1.599 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1Cl 3449973 NHRRBTGRZGQVHN-UHFFFAOYSA-N 302.689 1.482 0 40 DDAB NC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3520122 XQCNXFIQAKXVIB-UHFFFAOYSA-N 317.301 1.243 0 40 DDAB CC(C)(CC(N)=O)NCC(=O)N[C@@H](c1ccccc1)C1CC1 96014184 GRPAQUHMDTVXKW-INIZCTEOSA-N 303.406 1.498 0 40 DDAB COc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1C 4086222 CHRSJEMQCKMERG-UHFFFAOYSA-N 319.357 1.460 0 40 DDAB biogenic Cc1ccnc(NC(=O)[C@H](C)n2cc(Br)cn2)n1 28224493 UXCRWBRQEDOXES-QMMMGPOBSA-N 310.155 1.944 0 40 DDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 4295253 XJIGKVDNTOPGND-NKFCBESUSA-N 318.398 1.552 0 40 DDAB C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCc2ccccc2C1 25410763 RGKMSGPXZHFITK-CYBMUJFWSA-N 315.417 1.170 0 40 DDAB NC(=O)N1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 65440950 BMENALAZWMTKPM-ZDUSSCGKSA-N 303.362 1.417 0 40 DDAB COc1ccc(CCC(=O)N[C@@H]2CCCNC2=O)cc1OC 65495678 CIGXTEULBBOSDI-GFCCVEGCSA-N 306.362 1.031 0 40 DDAB CN(C)c1nc(CN2CCOC[C@@H]2c2cccn2C)ns1 97379611 RHMNHMVDCIZTPJ-GFCCVEGCSA-N 307.423 1.516 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1COc2cc(OC)ccc2C1 65530778 ILZYOFSJBJLVKI-WCQYABFASA-N 320.389 1.277 0 40 DDAB CN(C)C(=O)CNc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 65551254 UAKXKSKYLJVMBQ-ZDUSSCGKSA-N 319.405 1.031 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCOCC2)cc1 14199827 HLZBBJIKMZGSPY-AWEZNQCLSA-N 319.405 1.113 0 40 DDAB Nc1nc(N2CCC(C(=O)NCCC3CCCCC3)CC2)n[nH]1 65624104 PXLXSELPLNYTBF-UHFFFAOYSA-N 320.441 1.690 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@@H]2C)C1=O 72781431 OXTKQCZOYPPCAP-KANYHAFZSA-N 301.346 1.531 0 40 DDAB O=C(Cc1ccccc1Cl)N1CCN([C@H]2CCC[C@H]2O)CC1 84502359 KTGVEEPZMQBRKK-JKSUJKDBSA-N 322.836 1.940 0 40 DDAB Nn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccco1 6790135 SGMFTWKVZIRULD-UHFFFAOYSA-N 321.284 1.023 0 40 DDAB CN(C)CCNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 9451305 MGBMYSNCRUSAER-UHFFFAOYSA-N 318.421 1.608 0 40 DDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1COc2ccccc2O1 4923067 UMFAOEKEXYMCOR-CQSZACIVSA-N 311.297 1.635 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(c2ncnc3nc(N)ccc23)C1 90086388 YPEDSLVBBMCIDQ-LLVKDONJSA-N 314.393 1.350 0 40 DDAB O=S(=O)(N[C@H]1CCCN([C@@H]2CCOC2)C1)c1ccccc1 95457097 NTGZXGYKLAEQMO-UONOGXRCSA-N 310.419 1.218 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@@H]1CO 95447960 QDFQOKTZNOXMKQ-ZIAGYGMSSA-N 321.396 1.961 0 40 DDAB COc1ccc(C(=O)NCc2nnc3ccccn23)cc1F 7272958 WEUFVLTYJYSMGT-UHFFFAOYSA-N 300.293 1.807 0 40 DDAB O=C(CN1CCN(Cc2cscn2)CC1)NC1CCCC1 67712480 MSHULGRPAOGLGZ-UHFFFAOYSA-N 308.451 1.320 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7400106 KCTKZSZRRAZQMO-INIZCTEOSA-N 301.346 1.654 0 40 DDAB O=C(CN1CCCNC1=O)N[C@H]1CCC[C@H]1Cc1ccccc1 96414488 IXWRQZYWZVOGFQ-HOTGVXAUSA-N 315.417 1.929 0 40 DDAB O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc[nH]n1 96462331 KJHQGHLHJRTBSD-CQSZACIVSA-N 312.373 1.373 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCOCC2)c1C 9503581 HKDQFQUYJALYPK-GFCCVEGCSA-N 322.361 1.238 0 40 DDAB COC(=O)CCS[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7658623 LAWKPPRKOGDGLY-SECBINFHSA-N 310.375 1.409 0 40 DDAB CN(C)c1nc(CN2CCCN(CC(F)F)CC2)ns1 91083292 INMPEKAMORSYGW-UHFFFAOYSA-N 305.398 1.377 0 40 DDAB COc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC 71829809 NNXCQANOZNJACT-WCQYABFASA-N 320.389 1.359 0 40 DDAB Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)n(C)n1 71817197 SOZBJBJBCIWVMC-UHFFFAOYSA-N 312.417 1.729 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCOc1ccc(F)cc1)C2 69456846 HYFVKKQSJWHNEE-UHFFFAOYSA-N 304.325 1.537 0 40 DDAB CCOc1nnc(CN2CCO[C@H](Cn3cccn3)C2)s1 69419303 YDGANGNNLOQOPK-NSHDSACASA-N 309.395 1.034 0 40 DDAB CCc1ccc([C@H](COC)NC(=O)N2CCN(CC)CC2)o1 83825396 OXXHPHBXRMIUOX-AWEZNQCLSA-N 309.410 1.877 0 40 DDAB COCC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 71911436 YYABBKAHGOPKHO-GHMZBOCLSA-N 316.398 1.510 0 40 DDAB CC(C)C[C@H](NC(=O)c1cc[nH]n1)C(=O)Nc1nccs1 91840430 SNSXZIWMNLMJST-JTQLQIEISA-N 307.379 1.649 0 40 DDAB CCc1nc(CN2CCC[C@H](NCc3cscn3)C2)no1 69899130 FOERVJOQNMRPOV-NSHDSACASA-N 307.423 1.843 0 40 DDAB Cc1cccc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)n1 69947950 IPKYOFPUPHTVCG-HNNXBMFYSA-N 305.422 1.555 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 69919232 ZEASYMLSOGGTDX-ZDUSSCGKSA-N 317.389 1.665 0 40 DDAB COc1cc2c(nn1)CCN(Cc1c(C)nn(C)c1Cl)C2 84012391 PUSYDZKCALIUEH-UHFFFAOYSA-N 307.785 1.739 0 40 DDAB CN(C)c1nc(N)nc(Cn2ccnc2-c2cccs2)n1 97037382 OAVBKZABNQKGCZ-UHFFFAOYSA-N 301.379 1.493 0 40 DDAB O=C(CNC(=O)c1ccc(F)c(F)c1)NCC(=O)c1ccco1 97095631 GZYCDBYZJZXILN-UHFFFAOYSA-N 322.267 1.287 0 40 DDAB COc1ccccc1C[C@H](C)CC(=O)NCCc1nncn1C 72281079 ZIBUXNJHSGDENE-ZDUSSCGKSA-N 316.405 1.751 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2CCn3c(nnc3C3CC3)C2)C1 72268406 DKQQUDCFKUOWHN-GFCCVEGCSA-N 303.410 1.230 0 40 DDAB O=C(Cc1ccccc1O)NCc1cn(-c2ccccc2)nn1 88464852 DHMQJIBPFZNPSF-UHFFFAOYSA-N 308.341 1.832 0 40 DDAB C[C@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CCOCC1 95975033 JKORMYSATIEDDK-RDJZCZTQSA-N 323.481 1.288 0 40 DDAB COCCN1CCC(CNC(=O)[C@@H](OC)c2ccccc2)CC1 89414148 VESXUKKILXZYPJ-KRWDZBQOSA-N 320.433 1.849 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(c3nc4ccccc4o3)CCO2)n1 75128654 HBPFGKNYJSGZLJ-ZDUSSCGKSA-N 313.361 1.942 0 40 DDAB Cn1cc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cn1 75122499 XMKSQFXGJRTFFZ-UHFFFAOYSA-N 308.341 1.705 0 40 DDAB Cc1cc(CNS(=O)(=O)c2cc(Cl)cnc2N)no1 89604930 MIMJSWADTXHMCV-UHFFFAOYSA-N 302.743 1.092 0 40 DDAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)CCC3 20632368 FWGZJNJAMMUYKJ-UHFFFAOYSA-N 306.347 1.299 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007528 IGSDPJTVMMXVKN-AWEZNQCLSA-N 322.361 1.201 0 40 DDAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1n[nH]c(N)n1)C2 32069997 FFMUTUPJAUOTRL-JTQLQIEISA-N 306.347 1.304 0 40 DDAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3C)n2)cn1 35425652 VNMFMQOWUCLROS-NSHDSACASA-N 317.349 1.483 0 40 DDAB biogenic,in-vitro O=C(NCC1(O)CCOCC1)c1ccc(Br)o1 70638895 FSGZYVGVXMJGOO-UHFFFAOYSA-N 304.140 1.313 0 40 DDAB CCC[C@H]1c2cccn2CCN1S(=O)(=O)N1CCOCC1 72351235 XWPMLGRFUADOHD-AWEZNQCLSA-N 313.423 1.222 0 40 DDAB Cn1ncc2c(=O)[nH]c(N3CC[C@@H](Nc4ccccc4)C3)nc21 78988103 ZYUUTPBQMYDPKG-GFCCVEGCSA-N 310.361 1.347 0 40 DDAB COCCNc1cc([C@H]2CCN2Cc2cnn(C)c2)nc(C)n1 72387494 LZCHXHIQIQNYNN-OAHLLOKOSA-N 316.409 1.524 0 40 DDAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccnc1 71979910 GSXWTMGLYZDMDT-ULKWEWGCSA-N 304.346 1.914 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccncc3)no2)C1 74455230 APQROIKKXMIPNK-LLVKDONJSA-N 308.363 1.271 0 40 DDAB CNC(=O)O[C@H](COC)CN1CCN(c2ccccc2C)CC1 73417872 FQAYLEMUHCIKDA-HNNXBMFYSA-N 321.421 1.488 0 40 DDAB Cc1ccsc1CN1CCO[C@@](C)(C(=O)N2CCOCC2)C1 72379681 NZEDWGROLUHDGU-MRXNPFEDSA-N 324.446 1.506 0 40 DDAB NC(=O)c1cn[nH]c1[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1 72388690 UNSHNHODMLDRLO-ZDUSSCGKSA-N 316.336 1.554 0 40 DDAB COc1ccc([C@@H]2[C@H](C(=O)NC3CC3)CCC(=O)N2C)cc1 72242038 KBFMZAVTADHCDG-GDBMZVCRSA-N 302.374 1.883 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc1 40386482 YMZMZHQFLUYNFJ-SNVBAGLBSA-N 315.333 1.274 0 40 DDAB C[C@H](NC(=O)C(=O)NC[C@@H](O)c1cccs1)c1ccccc1 75156013 RAWVMWACKZJZKL-WCQYABFASA-N 318.398 1.775 0 40 DDAB COC[C@H](C)NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801718 GWQTYFGIKSJQMZ-JTQLQIEISA-N 307.325 1.959 0 40 DDAB COc1ccc(NC(=O)C(C)(C)CNS(C)(=O)=O)cc1 225959182 KERIZDLVXWLFMQ-UHFFFAOYSA-N 300.380 1.209 0 40 DDAB Cc1onc(CO)c1C(=O)N(C)C[C@H]1OCCc2ccccc21 571222390 CQFVDESMVIORIZ-OAHLLOKOSA-N 316.357 1.861 0 40 DDAB CCCCN(C)S(=O)(=O)NC1CCC2(CC1)OCCO2 48375393 KGZZURQMZAJVAM-UHFFFAOYSA-N 306.428 1.238 0 40 DDAB C[C@@H]1OCCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)[C@@H]1C 190018980 UMHLBXARAFDABY-MNOVXSKESA-N 301.346 1.742 0 40 DDAB CC(=O)N1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1 227115387 XDOFOXQGYUBFHL-UHFFFAOYSA-N 316.336 1.316 0 40 DDAB O=C1N(c2ccccn2)C[C@H]2CN(C3CCOCC3)CCN12 85436158 LYZZCKSFFCLGPT-CQSZACIVSA-N 302.378 1.187 0 40 DDAB biogenic,in-vitro CC(C)NC(=O)N1C[C@@H]2Oc3cc(F)ccc3C(=O)N(C)[C@@H]2C1 514288740 BFLQAWXUFDZHAP-OCCSQVGLSA-N 321.352 1.461 0 40 DDAB biogenic,in-vitro COc1ccc(-n2ccnc(N3CCC(N)CC3)c2=O)cc1 96530569 MUHOMSVOSVWJEY-UHFFFAOYSA-N 300.362 1.169 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 96057658 GETNFLXPGOSIKC-CYZMBNFOSA-N 307.419 1.401 0 40 DDAB CC(C)S(=O)(=O)CC(=O)N1CC[C@H](c2ccc(F)cc2)C1 331093041 XYGGJJNCVFQSHS-ZDUSSCGKSA-N 313.394 1.965 0 40 DDAB CN(C)C(=O)[C@H]1CCC2(CCN(C(=O)c3cccs3)CC2)O1 96061147 GSVQJEUWFZNEGT-GFCCVEGCSA-N 322.430 1.990 0 40 DDAB Cn1nccc1CSc1nnc(N2CCOCC2)n1C1CC1 96490404 OAWAGCZMXLZTIY-UHFFFAOYSA-N 320.422 1.475 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc(OC)cc3)C[C@H]2O1 96058221 ZIBBBWMNSZATAA-NUEKZKHPSA-N 304.390 1.421 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCS(=O)(=O)C[C@H]2C)c(C)c1 96417682 BAQOEUBLABSNII-CQSZACIVSA-N 324.446 1.940 0 40 DDAB O=C(c1cnccn1)N1CCC2(CCN(CC3CC3)C2)CC1 96157657 DGGQJRMWPOQTJE-UHFFFAOYSA-N 300.406 1.815 0 40 DDAB CN1CC[C@@]2(COCCN(C(=O)CCc3ccccc3)C2)C1 96201953 DHSRCWFPMHFYMB-GOSISDBHSA-N 302.418 1.800 0 40 DDAB COC[C@H]1CN(Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 96060447 RMWQPPUFOTYLKY-OAHLLOKOSA-N 315.421 1.772 0 40 DDAB Cn1ccnc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O 95463395 WPJMYGAJMNCCFS-UHFFFAOYSA-N 316.405 1.903 0 40 DDAB Cn1cc(NC(=O)c2cccc(-n3cccn3)c2)cc1C(N)=O 95398082 VCESTWHJKIYAPJ-UHFFFAOYSA-N 309.329 1.562 0 40 DDAB CCO[C@@H]1CN(S(=O)(=O)c2cccnc2)[C@@H]2CCCO[C@H]12 96042346 URSYVDAKNRLWNN-MCIONIFRSA-N 312.391 1.039 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257216817 CWEYGIXJGMMUSY-INIZCTEOSA-N 318.421 1.559 0 40 DDAB COCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccc(OC)cc1 257208078 BKQGWDMCMFTEKP-MRXNPFEDSA-N 320.389 1.464 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@H](c3ccncn3)C2)on1 257275031 NNRAWDMUSZYXLH-LBPRGKRZSA-N 316.361 1.812 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC[C@@](O)(CN2CCCC2)C1 257248677 JESUSJJBFUBNJH-OAHLLOKOSA-N 316.467 1.182 0 40 DDAB Cn1cc(C(=O)N2CCOC[C@H](Cc3ccc(F)cc3)C2)cn1 257260141 LBLYAWMCJOSTDY-CQSZACIVSA-N 317.364 1.891 0 40 DDAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCc2cnn(C)c2C)C1 257277601 NYRCTXKHBPLEHI-CQSZACIVSA-N 301.394 1.709 0 40 DDAB CNc1cc([C@H]2CCCN2CC(=O)N2CCCCC2)nc(C)n1 257212194 CCHWAMKWUAMJKF-OAHLLOKOSA-N 317.437 1.976 0 40 DDAB CN(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 260759600 CBOMNICVDBKLIU-YDHLFZDLSA-N 322.430 1.612 0 40 DDAB CCc1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)s1 575423733 QBOQLQDPSYSWQW-BDAKNGLRSA-N 302.446 1.171 0 40 DDAB CO[C@H]1CCN(C(=O)C2CC(O)C2)C[C@H]1Cc1ccccc1 585113436 GQANBSYWOOATBT-MYBQVCMBSA-N 303.402 1.864 0 40 DDAB Cc1cc(CN2CCOC[C@@](O)(COc3ccccc3)C2)no1 585269453 VBLRZMXCPSDEFW-QGZVFWFLSA-N 318.373 1.625 0 40 DDAB Cc1ocnc1C(=O)N1CCC[C@]12CC(C)(C)O[C@H]2CC(N)=O 585288174 PPTDQCIFGIMGSR-MEDUHNTESA-N 321.377 1.401 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@@H](C)C2 585097534 LFJKYNOFMIDCCA-JTQLQIEISA-N 304.350 1.413 0 40 DDAB COCC[C@H]1CN(C(=O)C2CCOCC2)Cc2cccn2C1 585095102 FSEDTZYAQXGXQB-CQSZACIVSA-N 306.406 1.910 0 40 DDAB COCCN1CCN(Cc2nc3ccccc3nc2C)CC1 69813973 YYFKOTPCVZDFAR-UHFFFAOYSA-N 300.406 1.702 0 40 DDAB C[C@H]1C[C@H]2NC(=O)C[C@H]2[C@@H]1CNC(=O)c1c(F)cccc1F 1775964395 NZIMZSNSEUDDQE-QISWUMQESA-N 308.328 1.855 0 40 DDAB biogenic,in-vitro Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@](C)(O)c1ccco1 76085564 OPXJMAIXURBIHB-LRDDRELGSA-N 318.377 1.597 0 40 DDAB O=C1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N1 89754588 MTCFHAXIVHOKIA-SNVBAGLBSA-N 315.156 1.457 0 40 DDAB C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)n1cncn1 12201478 IYOBWGQEUQMLOI-NSHDSACASA-N 315.377 1.226 0 40 DDAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCCC3)ccc21 12291410 BFXPHKKQFHOWOE-MRXNPFEDSA-N 324.446 1.528 0 40 DDAB NC(=O)NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12937991 GEFMJVBVMRYYNY-UHFFFAOYSA-N 319.361 1.355 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(F)cc1)CS2 15940743 XCQSUZCJMZCWOJ-CZUORRHYSA-N 322.405 1.938 0 40 DDAB Cc1cccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)c1 18181607 LFDSQSBBPKBJEN-UHFFFAOYSA-N 304.394 1.233 0 40 DDAB O=C(NCc1ccccn1)c1cnc(-c2ccccc2)[nH]c1=O 19937199 XPUXZXHQZLOTDU-UHFFFAOYSA-N 306.325 1.762 0 40 DDAB CCCCCCC1=C(C)C(=O)N([C@H](CCC(N)=O)C(=O)O)C1=O 253400125 KRVIGCQLVOTJRS-GFCCVEGCSA-N 324.377 1.361 0 40 DDAB biogenic,in-vitro Cc1nc(SCC(=O)N2CCNC2=O)c2ccccc2n1 4361531 YRAOJOQVNYPRRJ-UHFFFAOYSA-N 302.359 1.582 0 40 DDAB Cn1ccc(CN2CC[C@H]3CN(c4ccccn4)C[C@@H]32)cc1=O 1889078089 KEHCLVGDFRZSBA-HOTGVXAUSA-N 310.401 1.491 0 40 DDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 16444059 OYIQECLKIOBREY-HUUCEWRRSA-N 317.433 1.807 0 40 DDAB CN(CCCCC1CCOCC1)C[C@@H]1CCS(=O)(=O)C1 252482315 DCVIKTRKIVOJBZ-HNNXBMFYSA-N 303.468 1.950 0 40 DDAB CC(C)N(CC(N)=O)CC(=O)Nc1ccc(Cl)cc1F 8532669 OECDMMQRQJXNDF-UHFFFAOYSA-N 301.749 1.613 0 40 DDAB COc1ccccc1-c1cc(=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 49551269 HFXSTGRAUBBDPP-JTQLQIEISA-N 308.359 1.212 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1ccco1 13806215 RGFMACXYSZUXRW-UHFFFAOYSA-N 309.325 1.820 0 40 DDAB O=C(Cc1ccc(F)cc1F)N1CC(Nc2ncccn2)C1 238906468 RWQFIQQLWBZVDW-UHFFFAOYSA-N 304.300 1.620 0 40 DDAB CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)CC3)CC1 105093671 HBKLJWUQGKPENV-UHFFFAOYSA-N 316.426 1.875 0 40 DDAB CCCC(C)(C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 50498381 HLJCVNXWRWLZSS-UHFFFAOYSA-N 311.407 1.179 0 40 DDAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1Cc2ccccc2O1 40508773 VUIHSQWVMDJHOU-MRXNPFEDSA-N 320.352 1.887 0 40 DDAB CC/C=C(\C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 101395842 QPXFGLXKBNMVHP-UXBLZVDNSA-N 316.448 1.971 0 40 DDAB COC(=O)c1ccc(C)c(NC(=O)c2nccnc2C(=O)O)c1 32104488 HCAWTXDLZZQBHV-UHFFFAOYSA-N 315.285 1.522 0 40 DDAB C[C@@H]1CN(CC(=O)NCCc2c[nH]c3ccccc23)C[C@@H](C)O1 20963701 PLJGCZBSRWCTTN-ZIAGYGMSSA-N 315.417 1.936 0 40 DDAB Cc1nc(C)c(CCC(=O)Nn2cnc3ccccc32)c(=O)[nH]1 32855787 CGBGHKYMXZYRIR-UHFFFAOYSA-N 311.345 1.439 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@H]1c1ccc(F)cc1 32934377 AYZVKHFHVQVCLF-AWEZNQCLSA-N 301.321 1.746 0 40 DDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H]1CCOC1 41369122 HWESYJFYQUXLCC-LLVKDONJSA-N 304.346 1.103 0 40 DDAB Cn1nc(C(=O)NCc2ccccc2OC(F)F)ccc1=O 22604245 YCDJVICPSSNKIO-UHFFFAOYSA-N 309.272 1.312 0 40 DDAB NS(=O)(=O)Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 53846141 BSTJFPSLLBHMAU-UHFFFAOYSA-N 315.354 1.379 0 40 DDAB in-vitro Cc1csc2nc(CN(CC(N)=O)C3CCCC3)cc(=O)n12 47274153 FZMCLCMTEJKDCR-UHFFFAOYSA-N 320.418 1.294 0 40 DDAB CCOC(=O)CN(CC1CC1)C(=O)c1noc2c1CCCC2 95392680 DZGPHXBOGJIALL-UHFFFAOYSA-N 306.362 1.969 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 479510 AHUNZMANFMSYKZ-LBPRGKRZSA-N 310.419 1.721 0 40 DDAB CN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 800698 RHHLREHCUXPHCJ-UHFFFAOYSA-N 308.769 1.565 0 40 DDAB CCOC(=O)CN(C)S(=O)(=O)c1cnc(Cl)c(C)c1 78771081 YLFDXQSNZQLTEN-UHFFFAOYSA-N 306.771 1.227 0 40 DDAB Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)S(C)(=O)=O)CCC2 79040818 VTKBWEMLGOOYBZ-KCJUWKMLSA-N 316.448 1.720 0 40 DDAB Cc1noc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 23373111 BGRLAYHEEYNFIK-UHFFFAOYSA-N 310.331 1.280 0 40 DDAB O=C(NCCCNc1ncccn1)c1ccc2c(c1)OCO2 42757541 FECVMKNXPQKWAO-UHFFFAOYSA-N 300.318 1.437 0 40 DDAB CCN(C(=O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 4504596 WZSQUYISZGKUJF-GFCCVEGCSA-N 301.795 1.989 0 40 DDAB COc1cc(OC)cc(C(=O)SC2=NC(=O)C[C@@H](C)N2)c1 6930224 SQLKYHBKLICLAX-MRVPVSSYSA-N 308.359 1.842 0 40 DDAB COC(=O)c1c[nH]c2c(C)c(-c3ccc(OC)cc3)nn2c1=N 105889196 FAKCYSWAANVQPR-UHFFFAOYSA-N 312.329 1.912 0 40 DDAB COc1cccc(C(=O)NCc2nc(C3CC3)no2)c1OC 55705669 AYHCUOSESKIOBR-UHFFFAOYSA-N 303.318 1.894 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCN(c2cnccn2)CC1 56359117 SNUNBGQMPJOHGH-UHFFFAOYSA-N 313.361 1.306 0 40 DDAB O=C(CN1C[C@@H](O)C[C@H]1C1CCCCC1)NCc1ccccn1 107321412 QOZFSZUUCHYSCK-IRXDYDNUSA-N 317.433 1.713 0 40 DDAB COc1c([C@@H]2CC(=O)Nc3n[nH]cc32)cc2c(c1OC)OCO2 35324654 AMEAWJGRZRJMDF-ZETCQYMHSA-N 317.301 1.630 0 40 DDAB Cc1ccccc1CC(=O)N[C@@H](CC(N)=O)C1CCOCC1 72310502 LYZIHSGAODYSHS-HNNXBMFYSA-N 304.390 1.324 0 40 DDAB CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1 27061446 MEGKRKZDUPUNMH-UHFFFAOYSA-N 304.302 1.909 0 40 DDAB CCOc1ncccc1C(=O)Nc1cccc(-c2nnnn2C)c1 10092532 ZTJUPMOVTYFYNE-UHFFFAOYSA-N 324.344 1.923 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 52410416 NLBLRIZXUOWROH-AWEZNQCLSA-N 304.371 1.062 0 40 DDAB CCCn1nc(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)ccc1=O 44940220 ZZHFCHJFMGWLNW-OKILXGFUSA-N 320.437 1.361 0 40 DDAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@H]1CCOC1 44970544 IKCMZWVBMJRFJN-CQSZACIVSA-N 300.362 1.708 0 40 DDAB CN(C)C(=O)[C@H]1CN(CC(=O)OC(C)(C)C)c2ccccc2O1 58369472 YWAUZZYVSKJOKH-CQSZACIVSA-N 320.389 1.684 0 40 DDAB CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2)O1 107207824 YKCQMZYELOSDBF-RBSFLKMASA-N 310.344 1.833 0 40 DDAB Cc1ccc(CCC(=O)OCc2nc(N)nc(N)n2)cc1Cl 10740264 XLLJKEPAQYMIIT-UHFFFAOYSA-N 321.768 1.674 0 40 DDAB COc1ncc(NCc2cnc3ccc(C)cn23)cc1C(N)=O 95992377 OAGBACKNDVOSDF-UHFFFAOYSA-N 311.345 1.757 0 40 DDAB Cc1noc(C)c1CC(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 11206973 QOQUDQFHTLOODL-CQSZACIVSA-N 306.293 1.743 0 40 DDAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2 100762697 FQJZZPXQTPTNTG-VXGBXAGGSA-N 317.414 1.617 0 40 DDAB Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 108535734 NIDQVABYGPPTRP-AEFFLSMTSA-N 316.449 1.939 0 40 DDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC(CO)CC1 46091272 RUUMJZCJNFSEFQ-LBPRGKRZSA-N 320.389 1.124 0 40 DDAB C[C@@H]1COCCN1C(=O)CCn1nc(-c2cccs2)oc1=O 46256010 MLPUOVBHIZVKJJ-SNVBAGLBSA-N 323.374 1.202 0 40 DDAB COC(=O)c1cccc(C(=O)NCc2ccnc(OC)c2)c1 48331567 AEWDJIDZOJPPQY-UHFFFAOYSA-N 300.314 1.807 0 40 DDAB COc1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 100622517 DFIXDJRGFPYTRF-XUXIUFHCSA-N 305.330 1.190 0 40 DDAB CCn1cnnc1CNC(=O)N(C)Cc1ccc2c(c1)OCO2 46965642 HOFVSBOOCOBGIL-UHFFFAOYSA-N 317.349 1.368 0 40 DDAB O=C(CCn1cncn1)Nc1ccc(OCC(F)(F)F)nc1 46924850 FLCLUPQGIKBTGB-UHFFFAOYSA-N 315.255 1.643 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1N 3484304 RZUZVKQLBHVXAV-MWLCHTKSSA-N 309.439 1.656 0 40 DDAB CCN(CC)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 3463202 QUZKAWMXAQLZGX-UHFFFAOYSA-N 309.410 1.890 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1nc3ccccc3n1C)CC2 72302232 IYYPHIFOGOHZMI-UHFFFAOYSA-N 323.400 1.708 0 40 DDAB C[C@@H]1C[C@@H](N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1 95402300 ZYDUPLOIUKXYNH-KGYLQXTDSA-N 320.393 1.157 0 40 DDAB CCONC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 49446933 FERCANWANJOMKW-UHFFFAOYSA-N 301.364 1.317 0 40 DDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NC1CC1)O2 64988589 RQMSSTAYKAFOCL-AWEZNQCLSA-N 324.402 1.191 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc2cccnc12 21668964 LLUYACLSNKHFLJ-CYBMUJFWSA-N 319.386 1.597 0 40 DDAB Cc1nc(CNC(=O)Nc2cncnc2N(C)C)sc1C 95456099 BCPPQQBIXSIVJE-UHFFFAOYSA-N 306.395 1.938 0 40 DDAB CC(C)c1ncncc1C(=O)NCCNC(=O)c1cccs1 65444105 REKHCRLHZGAYFJ-UHFFFAOYSA-N 318.402 1.821 0 40 DDAB O=C([C@H]1CC1(Cl)Cl)N1CCN(c2nccs2)CC1 14161157 GPAAHZWEBMXKFV-MRVPVSSYSA-N 306.218 1.986 0 40 DDAB NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)o2)cc1 14242637 PZHREUMELDSLTJ-UHFFFAOYSA-N 318.358 1.777 0 40 DDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 9452057 WCWZNZIKQZXCSP-CQSZACIVSA-N 322.336 1.985 0 40 DDAB CCc1nnc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)s1 81601872 AKTGRUYXHXIRFG-VIFPVBQESA-N 310.301 1.632 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(F)cc2F)CC1=O 8235043 AVWMEXKAYZJTLF-ZJUUUORDSA-N 312.316 1.787 0 40 DDAB CCCCN(C(=O)C(C)C)c1c(N)n(CCC)c(=O)[nH]c1=O 8392902 KHUXIPTZDITZSF-UHFFFAOYSA-N 310.398 1.318 0 40 DDAB O=C(CCNC(=O)c1ccco1)NCc1ccc(C(=O)O)cc1 8392068 JVCCIQYIVURQNV-UHFFFAOYSA-N 316.313 1.414 0 40 DDAB Cc1ccc(NC(=O)Cn2cnnc2[S@](C)=O)c(Cl)c1 71804139 IHHQPCQEPLVQNW-HXUWFJFHSA-N 312.782 1.616 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)COc1cccnc1)C2 71871909 GDQOHVUFAAZAGO-UHFFFAOYSA-N 301.350 1.218 0 40 DDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cc(C)no1 69419392 BOIITAJDHCOFDU-MRXNPFEDSA-N 318.329 1.724 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 8472528 FYYJKXOKSPZWKA-QGZVFWFLSA-N 317.389 1.760 0 40 DDAB Cc1cc(NC(=O)NCCNC(=O)c2ccccc2)nnc1C 71912124 CXJSBPORTFRURJ-UHFFFAOYSA-N 313.361 1.645 0 40 DDAB Cc1noc(COCC(=O)NC[C@H]2Cc3ccccc3O2)n1 71907505 NBUAGGSMSVAWKZ-GFCCVEGCSA-N 303.318 1.015 0 40 DDAB Cc1cnn(C[C@@H](C)NCC(=O)NCCOc2ccccc2)c1 69773839 FLTNHFAUXTUBMA-OAHLLOKOSA-N 316.405 1.365 0 40 DDAB CN(CCC(=O)N1CCOCC1)CCN(C)c1ccccc1 69740675 GBGXBPXEVRCCSU-UHFFFAOYSA-N 305.422 1.304 0 40 DDAB CCC[C@@H](C(=O)OCC)N1CCN(C(=O)[C@@H]2CCCO2)CC1 69968971 GDNOZEHRVOFDRY-KBPBESRZSA-N 312.410 1.041 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2nccc3ccccc23)CC1 69919716 RWTPLQGMXGESEG-OAHLLOKOSA-N 313.401 1.764 0 40 DDAB CS(=O)(=O)CCC(=O)N(CCc1cccc(F)c1)C1CC1 70960597 HRPXGDMVUMKSTD-UHFFFAOYSA-N 313.394 1.794 0 40 DDAB Cc1ccccc1CCNS(=O)(=O)c1ccc(C(N)=O)cc1 8944908 XRPVVKUXRKXRND-UHFFFAOYSA-N 318.398 1.615 0 40 DDAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CC(=O)N(C)C1 84068100 ODPSVDZYWBXFLN-ZDUSSCGKSA-N 311.385 1.741 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N[C@@H](C)CN2CCCCC2)C1 96998321 ADYZWCOGXLBVTI-KBPBESRZSA-N 303.472 1.427 0 40 DDAB CCc1ccc2nc(NC(=O)Cn3ncn(C)c3=O)sc2c1 97049251 AGBDGUOPMAYNMC-UHFFFAOYSA-N 317.374 1.393 0 40 DDAB C[C@H]1c2cccn2CCN1C(=O)CN1CC(=O)Nc2ccccc21 72282045 WWKZBPBPVYXYMK-ZDUSSCGKSA-N 324.384 1.850 0 40 DDAB CN(C)c1cccc([C@H]2CCCN2C(=O)CCS(C)(=O)=O)c1 72287608 WSXOWMXRUWZAAH-OAHLLOKOSA-N 324.446 1.851 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3cn4cccc(C)c4n3)CCO2)n1 76047892 USNXSUBQKIAYRI-AWEZNQCLSA-N 312.377 1.643 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H](CCO)C1CC1 76021633 BCOZOKFNBZOYNB-LSDHHAIUSA-N 321.421 1.877 0 40 DDAB CCc1ncncc1C(=O)NC[C@H](O)c1c(F)cccc1F 76085058 CUWMXINAWGDFBH-ZDUSSCGKSA-N 307.300 1.781 0 40 DDAB CN(Cc1ccc(Cl)nc1)Cc1nc(N)nc(N(C)C)n1 80910477 ICGACWTWGADERN-UHFFFAOYSA-N 307.789 1.200 0 40 DDAB 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COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 96287338 ZFIXBLBNTFXGMT-NSHDSACASA-N 315.325 1.666 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)c1c[nH]c3ncccc13)C2 72279568 NXRSJPKNIPKAAX-UHFFFAOYSA-N 322.372 1.983 0 40 DDAB CCn1c(=O)c2ccccc2n(CC(=O)Oc2ccccc2)c1=O 15190572 GADIBUJEARMJLS-UHFFFAOYSA-N 324.336 1.789 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)c2cccc(F)c2)cn1 4985498 QEKUQPHDAOSXTD-UHFFFAOYSA-N 301.321 1.689 0 40 DDAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC(=O)O 4966416 IPFVZGXFAOTXQF-YHYXMXQVSA-N 309.299 1.483 0 40 DDAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N(C)C)c(C)c1 7087349 FTOFTZICQUPGIB-NSHDSACASA-N 305.407 1.848 0 40 DDAB CC(C)c1nnc(CNC(=O)[C@H]2OCCc3ccccc32)n1C 97114701 CNKFQUMDUPTPAX-HNNXBMFYSA-N 314.389 1.869 0 40 DDAB NC(=O)c1cc(NC(=O)c2cc(F)cc(F)c2)cc(C(N)=O)c1 15926715 BLVGVEJGNFTMGH-UHFFFAOYSA-N 319.267 1.415 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc(N)cc(=O)[nH]2)[C@@H]1C 9562396 AANMEJBJTBWSHL-BBBLOLIVSA-N 310.423 1.385 0 40 DDAB O=C(NCc1ccc(O)c(F)c1)N1CC[C@@](O)(C(F)(F)F)C1 81497747 FXFMWJBVIKONSQ-LBPRGKRZSA-N 322.258 1.740 0 40 DDAB CN(C)C(=O)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 69347956 LRJZPNXXMFABIL-UHFFFAOYSA-N 313.405 1.672 0 40 DDAB Cc1noc([C@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1 69368454 SDZZDYFPPBHQLA-JTQLQIEISA-N 318.381 1.517 0 40 DDAB C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)cn1)n1cccn1 69350854 IARRNYHTGNQRDR-JTQLQIEISA-N 321.768 1.590 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cn1 71830401 YTYHJSFTOMNBSM-ZWKOTPCHSA-N 324.428 1.868 0 40 DDAB O=C1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCN1 71839557 CSHYAQNDCKSUQA-UHFFFAOYSA-N 304.365 1.986 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nnsc1Cl 71885749 MIRIKEDEEZZWKJ-NSHDSACASA-N 308.794 1.604 0 40 DDAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC(N)=O)n2)cc1 8484116 ZMOQDSAKFVVIOB-QMMMGPOBSA-N 319.390 1.710 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COCCOc1ccccc1 71829569 XCCWUTBDHTUCAO-KBPBESRZSA-N 320.389 1.194 0 40 DDAB CCO[C@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 71827144 YDJLJPFTKHRQKX-LBPRGKRZSA-N 303.362 1.357 0 40 DDAB O=C(CN1CCC[C@H](N2CCCCC2)C1)NCC(F)(F)F 69538227 BUBDRSKVWHXMKC-LBPRGKRZSA-N 307.360 1.615 0 40 DDAB NC(=O)CN1CCC(Nc2ccc(OC(F)F)cn2)CC1 94133367 QONQEBMQNUTZOU-UHFFFAOYSA-N 300.309 1.045 0 40 DDAB CC(C)C[C@](C)(NS(=O)(=O)c1ccc2c(c1)CCC2)C(N)=O 69703027 DJZMXXYOZBOZHK-INIZCTEOSA-N 324.446 1.744 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3c[nH]c(C(C)C)n3)CCO2)n1 83829968 KHGITAMMHDMCFZ-LLVKDONJSA-N 318.381 1.427 0 40 DDAB Cn1ncc(C(=O)N[C@](C)(C(N)=O)c2ccccc2)c1C(F)F 95427991 CCUHLVMYNHBXAV-HNNXBMFYSA-N 322.315 1.488 0 40 DDAB Cc1cccc(-c2[nH]ncc2CN2C[C@@H](C(N)=O)O[C@H](C)C2)c1 92006810 JCFUOOMCOPSBAP-DOMZBBRYSA-N 314.389 1.460 0 40 DDAB COCCN(C(=O)c1nccc2ccccc12)[C@@H](C)C(N)=O 69897319 QVFGUUXXERIQKJ-NSHDSACASA-N 301.346 1.197 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1ccc(-n3cncn3)cc1)CC2 69809968 QCVPTHCUYQTGQL-CQSZACIVSA-N 309.377 1.272 0 40 DDAB CC(C)Cc1nc(CN(C)CC2CCN(C[C@H](C)O)CC2)no1 69901483 ONJPGGUZHIRDLG-AWEZNQCLSA-N 324.469 1.793 0 40 DDAB CN(C)c1ccc(CCNC(=O)N2CCC(C(N)=O)CC2)cc1 69972695 UYHZWWSRMUQPQO-UHFFFAOYSA-N 318.421 1.202 0 40 DDAB CCC[C@@H]1C(=O)NCCN1c1ccc2nnc(C(F)F)n2n1 92693806 SJJUEJCARXNKQN-MRVPVSSYSA-N 310.308 1.167 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@H](C)CS(C)(=O)=O 87139109 RIZUDMUZFFNCLD-LLVKDONJSA-N 316.398 1.409 0 40 DDAB Cc1n[nH]c(C)c1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 97060266 XUCITHPDYBAOLB-GFCCVEGCSA-N 317.345 1.734 0 40 DDAB O=C1[C@H](N2CCS(=O)CC2)CCN1c1cccc(Cl)c1 97012411 CZNIXQMHJGTQJP-CYBMUJFWSA-N 312.822 1.510 0 40 DDAB CCN1CC[C@H](NC(=O)[C@@H](C)O)[C@@H]1c1cc(F)c(F)c(F)c1 97083404 TZMAJZLLIDHZAF-XOZVTBISSA-N 316.323 1.736 0 40 DDAB CCc1ncnc(N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1F 95453308 UDTQWSPSQNOXAN-VIFPVBQESA-N 318.356 1.384 0 40 DDAB CCC[C@@H](C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O 409367053 BULRMWOVLOUXGQ-GFCCVEGCSA-N 304.456 1.886 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(c3nc4ccccc4o3)CCO2)n1 75128659 HBPFGKNYJSGZLJ-CYBMUJFWSA-N 313.361 1.942 0 40 DDAB O=C(O)[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 89830235 RUSPHNPNFOUCIE-CQSZACIVSA-N 303.358 1.711 0 40 DDAB COc1ccccc1C(=O)Nc1cnc(N2CCOCC2)nc1 65224996 JEGQAOUTKRAOAW-UHFFFAOYSA-N 314.345 1.574 0 40 DDAB Cc1nc(Nc2nc(C)c3ccccc3n2)[nH]c(=O)c1CCO 20673197 YDRPBGYUHMXQCA-UHFFFAOYSA-N 311.345 1.608 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3cnn(C)c3)o2)n1 28235155 BDFKFQLCSUYNLD-UHFFFAOYSA-N 313.361 1.805 0 40 DDAB Cc1noc([C@@H](NC(=O)NC[C@H]2CCCO2)C2CCOCC2)n1 548343058 PCBAHLSCHSBOEY-OLZOCXBDSA-N 324.381 1.324 0 40 DDAB CCN1CCN(C(=S)c2cc(OC)c(O)c(OC)c2)CC1 33900584 YLVOQBUJTIJBJR-UHFFFAOYSA-N 310.419 1.722 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(NCCn2ccc(C)n2)nc(C)n1 72387073 IQOFDTPPGRLUDA-HNNXBMFYSA-N 314.393 1.695 0 40 DDAB CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2ccc(OC)cc2[nH]1 536566743 CJXSGBQFLSPGSU-OAHLLOKOSA-N 315.373 1.917 0 40 DDAB C[C@H]1CC[C@H](CCC(=O)N2CCC(n3cnnc3O)CC2)O1 555529561 NNRXLYDBBGULPK-WCQYABFASA-N 308.382 1.495 0 40 DDAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccco1 70926451 OIUGUDCIJZGYOS-UHFFFAOYSA-N 313.357 1.957 0 40 DDAB CNC(=O)c1ccc(Nc2nc(N)nc3c2nc(C)n3C)cc1 72240963 CQCLESZWPVIOHG-UHFFFAOYSA-N 311.349 1.357 0 40 DDAB CC(C)[C@H](N)C(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1 79418850 XIBJLVNCRFKUAW-INIZCTEOSA-N 304.390 1.932 0 40 DDAB CCc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccsc2)n(C)n1 77731054 QLAUHWGNENDPIP-JTQLQIEISA-N 320.418 1.730 0 40 DDAB CC(C)[C@H](N)C(=O)N1CC[C@H](NC(=O)OCc2ccccc2)C1 79413130 GWTVYWBLQDSLGZ-GJZGRUSLSA-N 319.405 1.497 0 40 DDAB COCc1cccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c1 72240276 PWFDFHCSMDGUPB-UHFFFAOYSA-N 309.391 1.984 0 40 DDAB Cc1nc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)n[nH]1 132865153 FAQGILDBNKXXSP-LBPRGKRZSA-N 322.413 1.519 0 40 DDAB Cc1noc(-c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)n1 49027291 VJQDNAHQJHJJLF-UHFFFAOYSA-N 314.301 1.133 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCCCOC(C)C)c(O)n2c1 226821661 MAOUMWZXMPYFEA-UHFFFAOYSA-N 319.361 1.253 0 40 DDAB CCc1nsc(N2CCCN(Cc3ccnc(N)c3)CC2)n1 191521482 LFJXDLYVMRZUKO-UHFFFAOYSA-N 318.450 1.790 0 40 DDAB C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2)[C@H]1CO 225510817 BMGOAXMGYZLOCX-FMKPAKJESA-N 303.406 1.678 0 40 DDAB NC(=O)COc1cccc(CN2CCC[C@@H](c3ccn[nH]3)C2)c1 63994776 MLWMMTBLZCGWHP-CQSZACIVSA-N 314.389 1.653 0 40 DDAB CCOC(=O)c1ccc(NC(=O)Cn2ccc(C)cc2=O)cc1 94986191 UAMBJAKAOJHRPQ-UHFFFAOYSA-N 314.341 1.972 0 40 DDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(CCF)C2)C1 96226135 WRNSJAFXAPTMJS-HNNXBMFYSA-N 306.341 1.519 0 40 DDAB CCc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)nc1 96253173 ARUNZGHRZTYFJZ-QLFBSQMISA-N 316.405 1.255 0 40 DDAB Cc1oncc1C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 96252623 WIFXRGLNVDZFED-UHFFFAOYSA-N 315.329 1.497 0 40 DDAB O=C(N[C@H]1CCC12CCN(CC1CC1)CC2)c1cnccn1 96051531 FBGZCVNWYGNGQP-HNNXBMFYSA-N 300.406 1.861 0 40 DDAB c1cc(CN2CCO[C@H]3CN(Cc4nccs4)C[C@H]32)ccn1 96081744 INDOJHVNRVTHIS-CABCVRRESA-N 316.430 1.623 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2=O)cn1 96249148 GVVYVPGOLVZFNX-ZBFHGGJFSA-N 318.421 1.131 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(C)=O)CN(C)C(=O)C1 96113256 KOSHEWXDXCQPCN-ZIAGYGMSSA-N 311.426 1.008 0 40 DDAB biogenic,in-vitro COc1ccc(CN2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)cc1 96219704 LQKPGVQIWDUWSZ-RDJZCZTQSA-N 314.389 1.893 0 40 DDAB O=C(c1ccoc1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 96246134 HPYNXGJPIYYTLN-NUEKZKHPSA-N 304.390 1.853 0 40 DDAB OCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 97200255 GSKPHGPIFYTVJP-UHFFFAOYSA-N 324.388 1.145 0 40 DDAB Cc1csc([C@@H]2C[C@H]3CN(C(=O)c4ccncn4)C[C@H]3O2)n1 96045843 WGUZFLFCZORRHC-WCFLWFBJSA-N 316.386 1.844 0 40 DDAB CCN1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 96041298 IGDQHYFRPTZAOC-NWANDNLSSA-N 308.447 1.906 0 40 DDAB O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 96057460 MHVCVRNJEMJBOU-MGPQQGTHSA-N 321.446 1.791 0 40 DDAB COCCC(=O)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108894 QQBVLXYWEQZRGZ-NVXWUHKLSA-N 320.389 1.110 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(CC(C(=O)NCc3ccco3)=NO2)C1 96225891 GSEBRUFHHHWIIZ-MRXNPFEDSA-N 319.361 1.299 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 96413612 JIKRBPDOLZIUJG-BZNIZROVSA-N 310.369 1.986 0 40 DDAB COc1ccc(C[C@H](C)CN(C)C(=O)[C@H]2CN(C)CCO2)cc1 96485786 CPWUIXZQZMHBSL-WMLDXEAASA-N 320.433 1.663 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 96432133 IGQNOMMHTIQXJI-OCCSQVGLSA-N 312.373 1.528 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCC2(CC1)OCCC[C@H]2O 257264939 LWPRBFFRSWQHHU-OAHLLOKOSA-N 323.364 1.980 0 40 DDAB CS(=O)(=O)N1CCC(c2cccc(Br)n2)CC1 257198058 RJOBIQFGMHUFGZ-UHFFFAOYSA-N 319.224 1.983 0 40 DDAB NC(=O)c1cnn2c([C@H]3CCCN(c4ccccn4)C3)ccnc12 257221277 DOGQMOCUVIYVSU-LBPRGKRZSA-N 322.372 1.607 0 40 DDAB CO[C@H]1CN(C(=O)Cc2c(C)noc2C)CC[C@@]12CCCO2 257331257 XSASSAWNUZTKID-HOCLYGCPSA-N 308.378 1.630 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NCCc2ccccn2)c1 257233919 GRJDCDOVPHMVMP-UHFFFAOYSA-N 321.384 1.699 0 40 DDAB C[C@]1(O)CCN(Cc2ncc[nH]2)C[C@@H]1Oc1cccc(F)c1 257281722 OQQOMMRIZGHGBX-HOCLYGCPSA-N 305.353 1.953 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1 257284215 PBTYTNVCROXGKQ-MRXNPFEDSA-N 319.336 1.284 0 40 DDAB Cc1nsc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 266025528 QWODKQCHSRQHOG-UHFFFAOYSA-N 324.431 1.357 0 40 DDAB O=C(NCc1ccc(Cn2cncn2)cc1)N1CCCCO1 282752109 KEPZIWSTKIVUBP-UHFFFAOYSA-N 301.350 1.563 0 40 DDAB CN(C)[C@H]1CCOC2(CCN(C(=O)Cc3ccccn3)CC2)C1 585102435 SSDXMHJCFOUMET-INIZCTEOSA-N 317.433 1.726 0 40 DDAB O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)C1CC1 67702439 IXZMSXSCICGPTN-UHFFFAOYSA-N 300.362 1.744 0 40 DDAB Cc1cccc(CC(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775986176 YZPOAGDSIXZSIN-UHFFFAOYSA-N 311.385 1.561 0 40 DDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](O)c1ccsc1 56906453 XOLXDTQCEOSEAA-CQSZACIVSA-N 322.430 1.904 0 40 DDAB CCCc1ncc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)s1 76053025 YKBWTYGTERZWJK-STQMWFEESA-N 323.462 1.888 0 40 DDAB CCN(CC)CCS[C@H]1CCCN(c2cnn(C)c2)C1=O 83092971 BBIBYSAYNLHOSK-AWEZNQCLSA-N 310.467 1.991 0 40 DDAB O=S(=O)(c1ccc(N2CCC(O)CC2)cc1)C(F)(F)F 40433461 BJVDYZNWXMMSOE-UHFFFAOYSA-N 309.309 1.941 0 40 DDAB CCc1ccc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)s1 89286825 NGEDLYPYNQLCFO-SFHVURJKSA-N 321.489 1.842 0 40 DDAB O=c1/c(=C/c2ccc3c(c2)OCO3)sc2nc3cccnc3n12 371208 LTOFZHKFDDFNEJ-QPEQYQDCSA-N 323.333 1.581 0 40 DDAB COc1ccccc1NC(=O)N1CCC2(CC1)CC(=O)N(C)O2 1549167452 OLMLVINKOBKWMD-UHFFFAOYSA-N 319.361 1.855 0 40 DDAB CCc1nnc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)s1 5192652 UVUODFOAFBYFLV-UHFFFAOYSA-N 315.358 1.518 0 40 DDAB Cc1nccn1-c1ccc2c3c(cccc13)C(=O)N(CCO)C2=O 5286041 IOHHOQZNCBTCOQ-UHFFFAOYSA-N 321.336 1.922 0 40 DDAB Cc1nnsc1C(=O)N[C@@H](C)Cn1c(=O)oc2ccccc21 12142044 YCAYGBDQNKKXJE-QMMMGPOBSA-N 318.358 1.573 0 40 DDAB O=C(CCCCC(=O)NC[C@H]1CCCO1)NC[C@@H]1CCCO1 12572988 ZBKSMRAOZVOEQA-OKILXGFUSA-N 312.410 1.137 0 40 DDAB CN(C)C(=O)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 16384951 CJOZKBBDMAXXGL-CYBMUJFWSA-N 307.419 1.854 0 40 DDAB O=C(NCC1CC1)C1CN(C(=O)CCc2ccc(F)cc2)C1 19748645 GRTFZDRXSFKWOW-UHFFFAOYSA-N 304.365 1.743 0 40 DDAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N/C1=C/c1c[nH]cn1 107434717 ITXQTTPWGBFRNK-ULIPXBITSA-N 321.340 1.089 0 40 DDAB biogenic,in-vitro O=C(NCC1CCN(c2ncccn2)CC1)NC[C@H]1CCCO1 225553862 OXKYFEQIHISKSP-CQSZACIVSA-N 319.409 1.171 0 40 DDAB O=C(CN1CCCCC1)NCc1ccc(N2CCOCC2)nc1 25404217 IJAVQFYPZUMOLQ-UHFFFAOYSA-N 318.421 1.020 0 40 DDAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)N(C)C)C2)cc1C 2037916014 HFYJEQQKYDBUFK-SFHVURJKSA-N 320.433 1.597 0 40 DDAB O=C(C1CC1)N1CCO[C@@]2(CCCN(c3nncs3)C2)C1 2055824398 NACXNRRADZPGSE-AWEZNQCLSA-N 308.407 1.146 0 40 DDAB Cc1cncnc1N1CCN(c2cc(=O)n3ccccc3n2)CC1 1775974140 WWOXZZGWWMTJEV-UHFFFAOYSA-N 322.372 1.120 0 40 DDAB C[C@H](C(=O)NCCn1cccc1)n1nc(C2CC2)ccc1=O 575621477 XEMDUBAEVUHURP-GFCCVEGCSA-N 300.362 1.300 0 40 DDAB Cn1cc(S(=O)(=O)NCc2ccc(-c3ccoc3)nc2)cn1 575615534 GAMIUAHDITUWKM-UHFFFAOYSA-N 318.358 1.554 0 40 DDAB O=C(c1nc2ncccn2n1)N1CCc2[nH]c3ccccc3c2C1 19657188 APCXSRYZRLGEHZ-UHFFFAOYSA-N 318.340 1.804 0 40 DDAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cccc(C(N)=O)c1 4579685 RSZFQRPEYCSOEG-YBEGLDIGSA-N 323.352 1.901 0 40 DDAB CCc1c(C(=O)Nc2ccccn2)cnn1-c1ccc(O)nn1 30523171 YVHNSQXKQAGTPC-UHFFFAOYSA-N 310.317 1.578 0 40 DDAB CN(CCOc1ccccc1)Cc1nc(O)c2cnn(C)c2n1 40555876 MWQWABZUMWRIAR-UHFFFAOYSA-N 313.361 1.580 0 40 DDAB COC(=O)c1ccc(CNC(=O)CN2C[C@H](C)OC[C@H]2C)cc1 40501431 OGDWGLWAFUXIJF-OLZOCXBDSA-N 320.389 1.199 0 40 DDAB CN1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3c1cnn3C)CC2 101385511 HEGKHOAGEAZKDR-KCQAQPDRSA-N 317.437 1.676 0 40 DDAB CC1(C)Cc2cccc(OC3CCN(CC(N)=O)CC3)c2O1 52100670 YSVYDJCIPZDKGO-UHFFFAOYSA-N 304.390 1.729 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1 21469560 JKPAOPHEYRQZEK-UHFFFAOYSA-N 322.390 1.359 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1nnc2ccccc21 52413145 QZVIEGICTAJUDM-LBPRGKRZSA-N 304.350 1.135 0 40 DDAB COC(=O)NCCc1ccc(OC[C@H](O)CNC(C)C)cc1 586 UGENBJKPPGFFAT-CQSZACIVSA-N 310.394 1.323 0 40 DDAB in-man COCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 12408990 MWEJNZZQTZMLTM-UHFFFAOYSA-N 301.346 1.099 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2cnsn2)CC1 47831026 VESHVYGKYGKIGD-UHFFFAOYSA-N 307.379 1.101 0 40 DDAB CCC(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 1904115 BXXSTXPMBCBCKF-UHFFFAOYSA-N 303.314 1.866 0 40 DDAB CCOCCCNC(=O)C(=O)Nc1ccc(OC)cc1OC 6957726 PAVNKQRZAJLYSE-UHFFFAOYSA-N 310.350 1.185 0 40 DDAB CN(C)/C=C1\C(=O)N(c2ccc(Cl)cc2)CS1(=O)=O 1387389 MEJDJOQCUWSAFX-YRNVUSSQSA-N 300.767 1.462 0 40 DDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] 107340952 KCURZSBRUSBZND-LEWSCRJBSA-N 307.325 1.433 0 40 DDAB COCCNC(=O)Nc1ccc(CCN2CCOCC2)cc1 56762792 CLKOCSBLKJYURX-UHFFFAOYSA-N 307.394 1.329 0 40 DDAB CC(=O)c1csc(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c1 108142903 PMUDCZFIZPKPSX-KBPBESRZSA-N 322.430 1.934 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(c2ccccc2O)CC1 26527261 AIQOCIMHRMFESV-UHFFFAOYSA-N 315.373 1.888 0 40 DDAB CON(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 36037385 GOMYOIWMAJNUIW-CYBMUJFWSA-N 312.391 1.250 0 40 DDAB CN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H]1CCS(=O)(=O)C1 23027836 XLKHXHQPYVCSEJ-DGCLKSJQSA-N 311.428 1.349 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 12693771 UTODEGPNKYMIQG-FOSCPWQOSA-N 324.377 1.161 0 40 DDAB COc1cccc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 44947620 TZVQYCCGYKWFCK-JTQLQIEISA-N 324.358 1.793 0 40 DDAB CCN(CC)S(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1 12781003 PSQNAYMJNREDDS-UHFFFAOYSA-N 322.434 1.891 0 40 DDAB c1ccc(Cn2cncn2)c(CNC[C@@H]2CNc3ccnn3C2)c1 58370926 WRMYBPGLAOLLOK-CQSZACIVSA-N 323.404 1.354 0 40 DDAB COc1ccccc1[C@H](O)CNC[C@@H]1CNc2ccnn2C1 58308846 JYXYYLWZZSGLFN-TZMCWYRMSA-N 302.378 1.257 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3)CC2)C1 28082858 RVTJCSUUONXQFH-OAHLLOKOSA-N 323.462 1.785 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)O 36293854 JSCJJJQGBXDCBO-JTQLQIEISA-N 307.368 1.310 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1 36293858 OMDHWAJJVRHXEM-CQSZACIVSA-N 323.345 1.800 0 40 DDAB COc1ccc(C)cc1NC(=O)CN1CCC(C(N)=O)CC1 3352678 RPZHHMULYNIHFP-UHFFFAOYSA-N 305.378 1.139 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)COn1nnc2ccccc21 28775275 YNSJCPKMPVNLMJ-AWEZNQCLSA-N 324.384 1.997 0 40 DDAB C[C@H](C(=O)NC1CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957193 CMCLQFBKSFMUQB-MRVPVSSYSA-N 318.345 1.398 0 40 DDAB CCc1ccc(C(=O)NC2CCN(CC(=O)NC)CC2)s1 46449153 KYSVJQRGHFERBT-UHFFFAOYSA-N 309.435 1.251 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 46492013 DAFVVQQESWTXGC-GXTWGEPZSA-N 316.357 1.765 0 40 DDAB Nc1nnc(SCC(=O)NCc2ccc(C(=O)O)cc2)s1 9026886 TVOAJKALWQGDLA-UHFFFAOYSA-N 324.387 1.227 0 40 DDAB O=C(CSc1nnc2ccccn12)NC(=O)NC1CCCC1 3505509 RBTWUXXPVBZPFS-UHFFFAOYSA-N 319.390 1.590 0 40 DDAB Cc1cccc(NC(=O)C(=O)N[C@@H](CCO)c2ccccc2)n1 97117462 FBGXNNFYMSKIGG-AWEZNQCLSA-N 313.357 1.568 0 40 DDAB CN1CCN(C(=O)CN(CCC(F)(F)F)C2CCCC2)CC1 93188673 LCCCUCHPXMCGFU-UHFFFAOYSA-N 321.387 1.957 0 40 DDAB CCOc1ccc(OCC(=O)N2CCC(C(=O)O)CC2)cc1 13167233 PYVZHEAHSWRLNK-UHFFFAOYSA-N 307.346 1.787 0 40 DDAB CN[C@@]1(c2nnnn2-c2ccccc2C)CCOC(C)(C)C1 5278173 QQCALNKNJVMBKN-INIZCTEOSA-N 301.394 1.974 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)CN1C(=O)COc2ccccc21 65409096 CISDALZJJMWGEO-CYBMUJFWSA-N 318.373 1.297 0 40 DDAB OCCN1CCN(Cc2nccn2Cc2ccccc2)CC1 65593993 BKIGVADXDMCSDK-UHFFFAOYSA-N 300.406 1.041 0 40 DDAB CC1CCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)CC1 65539352 OYFUFKJHNPDKPY-OAHLLOKOSA-N 317.389 1.596 0 40 DDAB O=C(NCCn1ccnc1)NC[C@@H](c1ccco1)N1CCCC1 65553354 YOQQBGLEQXJCPQ-AWEZNQCLSA-N 317.393 1.612 0 40 DDAB COc1cc(CNC[C@H]2CN(C)CCO2)cc(Cl)c1OC 65611270 LHNIFTCBNOHJLU-LBPRGKRZSA-N 314.813 1.777 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3cnc(C)s3)CC2)n1 65623677 ZVBVWDKVCCEKQL-UHFFFAOYSA-N 319.390 1.213 0 40 DDAB CNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 409207621 YXKLEMDNXHCBPR-UHFFFAOYSA-N 324.446 1.976 0 40 DDAB CON(C)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 14239459 RQXLNNXCXRUYPR-UHFFFAOYSA-N 318.420 1.169 0 40 DDAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(CC)C2=O)cc1 14245318 CWYNAMUATNGODT-DYVFJYSZSA-N 320.389 1.709 0 40 DDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)CCC(=O)c1cccs1 66369448 QZVHGVWLMQBICZ-SNVBAGLBSA-N 317.432 1.603 0 40 DDAB CCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(C)ccc23)C1=O 5936394 LBZXHYXVJOMDSP-UHFFFAOYSA-N 314.297 1.412 0 40 DDAB CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Br)cn1 408375550 SWAPNPGYTCQAPC-UHFFFAOYSA-N 321.196 1.695 0 40 DDAB CCCOc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cn1 71886667 NIAVSRJXWAUUQN-UHFFFAOYSA-N 320.393 1.277 0 40 DDAB CCN1C[C@@H](CN(C)C(=O)c2cnccn2)Oc2ccccc21 71896584 IFORRQMUQLDZLA-CYBMUJFWSA-N 312.373 1.836 0 40 DDAB COc1ccccc1CNC(=O)[C@@]12CCC(=O)N1CCS2 8262960 TYFVGNJKRDCVRL-HNNXBMFYSA-N 306.387 1.377 0 40 DDAB Cc1cnn(C[C@H]2CCCN2[C@H](C)C(=O)Nc2cc(C)on2)c1 70040662 CPIYKAAUDYHECG-ZIAGYGMSSA-N 317.393 1.980 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1ccccc1F 81862945 DDFVBOCAONBLMF-QEJZJMRPSA-N 307.365 1.833 0 40 DDAB C[C@@H](Cn1cccn1)NC[C@@H](O)COc1ccc2c(c1)OCO2 69373807 YDCYHDWCWZUSBE-QWHCGFSZSA-N 319.361 1.030 0 40 DDAB CN(C(=O)CN1CCCC[C@@H]1Cn1cncn1)c1nccs1 71876392 HQSHPRWJYWEJAL-GFCCVEGCSA-N 320.422 1.252 0 40 DDAB O=S(=O)(CCN1CCC2(CC1)OCCO2)c1ccccc1 84558652 ZMUJLBAJXDIFLJ-UHFFFAOYSA-N 311.403 1.299 0 40 DDAB Cc1nnc2ccc(NC[C@@H]3CCCN(c4ncccn4)C3)nn12 91687610 DTNWBAYXYZKKHO-ZDUSSCGKSA-N 324.392 1.551 0 40 DDAB O=C(CN1CCC(Nc2ncccn2)CC1)Nc1ccccc1 69571722 NELOLXZDHDYJJN-UHFFFAOYSA-N 311.389 1.992 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)NCCc1ccccc1C 71907777 OPFNXFQQBPNXBE-OAHLLOKOSA-N 304.390 1.291 0 40 DDAB Cn1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91762620 XSLZMTFTLVMJSG-SMDDNHRTSA-N 307.300 1.646 0 40 DDAB CC(=O)N[C@H](CC(=O)N[C@@H](C(N)=O)C(C)C)c1ccc(C)cc1 69630884 CKQSXYYSTNCSBX-GDBMZVCRSA-N 319.405 1.188 0 40 DDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]1Cn1cncn1 69701239 IKVFZFNOJZJHRR-CHWSQXEVSA-N 318.381 1.456 0 40 DDAB CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 9638733 SZIKJMOVLMVQTC-UHFFFAOYSA-N 310.419 1.370 0 40 DDAB COc1ccc([C@@H](CNc2ccc3nnnn3n2)N(C)C)cc1 8735507 SBGHPZXQEYYDPJ-CYBMUJFWSA-N 313.365 1.243 0 40 DDAB O=C(C1=CCCC1)N1Cc2cncn2[C@H](CN2CCCC2)C1 306132033 KVYKADSYWXSRSV-MRXNPFEDSA-N 300.406 1.973 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cc1 8939609 DBYQGQAKYKPMJZ-NSHDSACASA-N 322.386 1.987 0 40 DDAB COc1ccc(CCC(=O)Nc2ncc(C(N)=O)s2)cc1F 96994670 ALWUWFUMJLIZMK-UHFFFAOYSA-N 323.349 1.961 0 40 DDAB CCc1onc(C)c1NC(=O)C(=O)NCc1cc(Cl)cn1C 95442852 XJOVQHMKZCJNJN-UHFFFAOYSA-N 324.768 1.792 0 40 DDAB COc1c([C@H]2CCCN2C(=O)[C@@H](C)n2ccnc2)c(C)nn1C 72234408 KCVYOAIXFKKHNA-CHWSQXEVSA-N 317.393 1.858 0 40 DDAB NC(=O)C1(CNC(=O)Nc2ccc3c(c2)OCCO3)CCCC1 72286281 IJNGOWSVSISPGQ-UHFFFAOYSA-N 319.361 1.625 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1cc2c([nH]c1=O)CCCC2 72273576 QRDGQVLWHMIZOU-GFCCVEGCSA-N 312.373 1.195 0 40 DDAB COc1cccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 72268914 UNSBTCKUIDTYHG-HZPDHXFCSA-N 304.390 1.366 0 40 DDAB Cc1cc(CC(=O)N[C@H](CC(C)C)C(=O)Nc2cc[nH]n2)no1 84294651 BDMYTZRYJIYXTJ-GFCCVEGCSA-N 319.365 1.418 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cnn(C)c1 95960166 RIEDSUSBOQOLAE-CYBMUJFWSA-N 316.361 1.182 0 40 DDAB C[C@@H]1CO[C@H](CO)CN1C(=O)c1cncc(-c2ccccc2)c1 95979143 KUMBHEQCPVDNSC-DYVFJYSZSA-N 312.369 1.970 0 40 DDAB CN(C)C(=O)NCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 95992109 QBSBJECMNFGOHD-QWRGUYRKSA-N 311.332 1.456 0 40 DDAB CCC[C@](C)(NC(=O)c1csc(-c2cnn(C)c2)n1)C(=O)O 95969835 SOLFFQOFHFYCHY-AWEZNQCLSA-N 322.390 1.917 0 40 DDAB Cc1cc(C)cc([C@H](O)CN2CCN(c3cnn(C)c3)CC2)c1 74798665 DXTPHVCMLUUVTH-GOSISDBHSA-N 314.433 1.893 0 40 DDAB NC(=O)C1(CNCc2cnn(-c3ccccc3)c2)CCOCC1 86250767 VNLUJPCDNKJDLY-UHFFFAOYSA-N 314.389 1.244 0 40 DDAB O=C(c1cnn(-c2ccc(F)cc2)n1)N1CC[C@@]2(CCOC2)C1 89793905 ZRDICJYDYCCZDG-MRXNPFEDSA-N 316.336 1.659 0 40 DDAB CC(C)Cc1nc(CN(Cc2ccccn2)S(C)(=O)=O)no1 89856543 XFQNQUKKZDBWDH-UHFFFAOYSA-N 324.406 1.625 0 40 DDAB O=C1NC[C@@H](C(=O)Nc2ncc(Cc3ccccc3)s2)N1 89840344 UHPJJTKDRLFDBL-NSHDSACASA-N 302.359 1.354 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1cncn1 89969176 FEUGTBRDWHOTDN-CYBMUJFWSA-N 316.361 1.357 0 40 DDAB CCN(C[C@H]1CN(Cc2cccnc2)CCO1)c1cccnn1 89969167 AVSQZYBTHQNLSN-MRXNPFEDSA-N 313.405 1.599 0 40 DDAB CC(C)CNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 113958642 IEKGJVSZASHSQN-UHFFFAOYSA-N 324.446 1.998 0 40 DDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)Oc1ccc(Cl)cc1 28617048 VGBCWIWQNUAYNY-NSHDSACASA-N 319.766 1.903 0 40 DDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@@H]1CCCC[C@H]1O 547846321 ROZITKCFRCCGBK-NILFDRSVSA-N 305.374 1.981 0 40 DDAB c1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 431032074 HORZYBVHORTYRV-UHFFFAOYSA-N 322.376 1.278 0 40 DDAB CC(=O)N1CC[C@](C)(C(=O)N2CCC(c3nc(C)no3)CC2)C1 530849978 OOTNMJDAVJWZQB-INIZCTEOSA-N 320.393 1.343 0 40 DDAB CNc1cncc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 72364375 JSYNVZZLQXSBAT-UHFFFAOYSA-N 300.366 1.272 0 40 DDAB CC[C@H](C)NC(=O)c1cc(-n2cnnc2)ncc1Br 32646964 SEKLDGMMJVXDDX-QMMMGPOBSA-N 324.182 1.953 0 40 DDAB Cc1nc([C@H]2CN(Cc3cnn(C)c3)CCO2)cc(N(C)C)n1 72387764 JYGHNJCCCRATEV-OAHLLOKOSA-N 316.409 1.158 0 40 DDAB COc1cccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1 217393156 VMWFBEJEKHQZAX-UHFFFAOYSA-N 304.302 1.293 0 40 DDAB CN(Cc1ccc(Br)o1)C[C@H](O)Cn1cccn1 44974907 TUQXMFFKAMUACU-JTQLQIEISA-N 314.183 1.732 0 40 DDAB Cc1cc(CNC(=O)[C@H](C)Oc2ccccc2)nc(N(C)C)n1 189935968 SWUCPCUSPCWHJJ-ZDUSSCGKSA-N 314.389 1.935 0 40 DDAB Nc1c(Br)cncc1S(=O)(=O)N1CCCCC1 72210883 LEWBJQIYHGJUFE-UHFFFAOYSA-N 320.212 1.601 0 40 DDAB CN(c1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O 47080680 BIAPLMCSWBJDJH-UHFFFAOYSA-N 319.386 1.407 0 40 DDAB COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cccc(Cl)c1F 225483224 IGLXNMWQFPXGIF-YPMHNXCESA-N 301.745 1.977 0 40 DDAB COc1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1 178801677 YPOQLBHJBZCOHB-UHFFFAOYSA-N 324.388 1.455 0 40 DDAB O=C(c1ccncc1F)N1CCN(c2cccc(O)c2)CC1 96482973 XNPCYQDICRSSBW-UHFFFAOYSA-N 301.321 1.889 0 40 DDAB O=C(c1ccco1)N1CCc2ncc(Cn3cccn3)n2CC1 96196948 ADAYSPLQWPQNRX-UHFFFAOYSA-N 311.345 1.419 0 40 DDAB O=C([C@@H]1CCCN(CCOC[C@@H]2CCCO2)C1)N1CCCC1 96421781 AUTWKVBBEHNFJW-CVEARBPZSA-N 310.438 1.516 0 40 DDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC(C)C)C=C2 96222101 KTGXZONLNARZOQ-UHFFFAOYSA-N 318.373 1.584 0 40 DDAB biogenic COCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21 96041133 YDOOIQPKQUBWIC-YESZJQIVSA-N 318.417 1.286 0 40 DDAB CCc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)n1C 96410886 QDTUKDCJRXVFKF-ZETCQYMHSA-N 308.329 1.633 0 40 DDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C2CCC2)C1 96041271 PYXATAZMFJLYIO-USXIJHARSA-N 315.417 1.730 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc(OC)cc1 96245781 RXQMCKFRCJJWBD-LSDHHAIUSA-N 318.373 1.157 0 40 DDAB CC(CO)(CO)NC(=O)Nc1cc(F)cc(Br)c1 92821700 LZPHQCQROAXULT-UHFFFAOYSA-N 321.146 1.453 0 40 DDAB Cc1ccccc1C[C@@H](C)NC(=O)CSc1nnc(N)n1C 96428841 PYZTZHQOFFHNGQ-LLVKDONJSA-N 319.434 1.545 0 40 DDAB C[C@@H](O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 96494418 WYCLUUHABSWVSD-ZJUUUORDSA-N 313.195 1.525 0 40 DDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cccnc1 96060558 DANWIWQDKIHYCS-MRXNPFEDSA-N 313.405 1.829 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2Cc2ccncc2)N1Cc1ccncc1 96055684 LRLLMLHDVUMMIG-DLBZAZTESA-N 308.385 1.852 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96051939 MGSOSEMGQBJQTO-FUHWJXTLSA-N 322.424 1.995 0 40 DDAB O=C(C1CC1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96218130 RJAYZODNECCZGO-RHSMWYFYSA-N 316.405 1.839 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3cccnc3)C2)C1 96201980 MSTNWRWLENVGAX-KRWDZBQOSA-N 305.422 1.252 0 40 DDAB Cn1ncc2c(NCCNC(=O)[C@H]3C[C@H]4CC[C@H]3C4)ncnc21 253369696 GVEJJIDBVMLVSI-SRVKXCTJSA-N 314.393 1.328 0 40 DDAB COc1ccc(C)cc1CC(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257280797 OMMALXMVEMFHSO-WMZOPIPTSA-N 319.401 1.953 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257275223 NOKPJQPQYBCGFL-CQSZACIVSA-N 315.377 1.051 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)NCc2ccccc2Cl)C1 257236984 HERVURQNCQOQMA-HNNXBMFYSA-N 310.781 1.594 0 40 DDAB COc1cc(CCC(=O)N2CCO[C@@H](c3ccncc3)C2)on1 257290146 QBTGKKMJTFWKNQ-CQSZACIVSA-N 317.345 1.611 0 40 DDAB O=C(c1ccnnc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257228142 FSNDIZMREXKYKE-HZSPNIEDSA-N 310.361 1.229 0 40 DDAB COc1cccc(C[C@H]2CC3(CCN(C(=O)CN)CC3)CO2)c1 257331972 XVEFOOWGTLAYHC-INIZCTEOSA-N 318.417 1.594 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3coc(C)n3)CCO2)n1 257253180 JXVSRAUWYNEQJN-LBPRGKRZSA-N 304.306 1.001 0 40 DDAB Cn1cc(CN2CCCC[C@@H]2c2cc(O)n3ccnc3n2)cn1 257201450 AHTOUWHLZHQOLD-CQSZACIVSA-N 312.377 1.896 0 40 DDAB Cc1nc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)cs1 257236225 HBHFILOHGHPVTM-CQSZACIVSA-N 321.450 1.810 0 40 DDAB CN(C(=O)c1ccc(N2CCCC2)cc1)[C@@H]1CC[C@@H](O)[C@@H]1O 257300376 RUBCJYVUPWUMJX-BZUAXINKSA-N 304.390 1.243 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3ccon3)cn2)CCCCO1 257211943 CBEQMBMPADFRGU-HNNXBMFYSA-N 302.334 1.810 0 40 DDAB COc1ccc(-n2cc(CNC(=O)c3csnn3)nn2)cc1 87475407 GFKZKIQPWYOYHL-UHFFFAOYSA-N 316.346 1.057 0 40 DDAB CC(C)(C)c1nnc2ccc(NC[C@@H](CO)[C@@H]3CCOC3)nn12 280858755 DKVHKIKAEOEEHD-NEPJUHHUSA-N 319.409 1.479 0 40 DDAB Cc1ccc(OC[C@]2(O)COCCN(Cc3ncc[nH]3)C2)cc1 585277793 XYGWOAAVTZTZBW-QGZVFWFLSA-N 317.389 1.360 0 40 DDAB Nc1ncccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585279156 WFSQGDOCSPGXNP-HOTGVXAUSA-N 311.385 1.872 0 40 DDAB O=C1N(CC2CC2)CC[C@]12CN(Cc1cn[nH]c1)CC(F)(F)C2 585093493 ZRQQZWRAVGENFA-HNNXBMFYSA-N 324.375 1.879 0 40 DDAB CNC(=O)CC[C@@]1(OC)CCCN(Cc2ccncc2C)C1 585277312 UIPSLEAFRNANMD-KRWDZBQOSA-N 305.422 1.897 0 40 DDAB O=C(CN1CCC[C@H](O)[C@@H]1Cc1ccccc1)NC1CCC1 585277801 PHNCEHKWEYRDIO-IRXDYDNUSA-N 302.418 1.723 0 40 DDAB NC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccccc1Cl 69568135 JSSFGSGTCQENJT-GFCCVEGCSA-N 309.797 1.932 0 40 DDAB CS(=O)(=O)CCC(=O)NC1(c2ccc(Cl)cc2)CC1 71899809 CBEWZKDNLOXCPX-UHFFFAOYSA-N 301.795 1.880 0 40 DDAB O=C(c1cncc(F)c1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 888106932 FJTCCMOUMGYZDG-STQMWFEESA-N 301.325 1.821 0 40 DDAB CCOC(=O)Nc1ccc(NC(=O)NC[C@H]2COCCO2)cc1 56613717 BNKJJXGZVJTEDH-ZDUSSCGKSA-N 323.349 1.792 0 40 DDAB O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1c[nH]cn1 78809096 VPMMGHNMANKUPN-UHFFFAOYSA-N 303.347 1.074 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1cccnc1 87034275 ZNEFLKBYWLIAPF-ZDUSSCGKSA-N 314.393 1.612 0 40 DDAB Cc1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)nc1O 5009388 FKOZZYBLVANMAW-VIFPVBQESA-N 316.386 1.956 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nc(-c3ccncc3)oc2=O)C1 12115893 SKOPRJXMGVUCQF-VXGBXAGGSA-N 316.361 1.403 0 40 DDAB Cc1c(C(=O)N[C@H]2CCCOC2)sc2ncn(C)c(=O)c12 12194496 GVOKRGIPHVSDDN-VIFPVBQESA-N 307.375 1.212 0 40 DDAB COc1c(C[C@H]2CC(C(=O)O)=NO2)cc2c(c1OC)OCO2 12418025 LVKLYCODANKYAS-QMMMGPOBSA-N 309.274 1.205 0 40 DDAB CCc1nc(CN(C)C[C@H]2CCCN2c2cccnn2)n[nH]1 158333137 HJIVYDNVVYFDGK-GFCCVEGCSA-N 301.398 1.258 0 40 DDAB CCCCNC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3893348 YFXSXIWQLRKCQN-OLZOCXBDSA-N 305.447 1.942 0 40 DDAB biogenic Cc1oncc1CN1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 1888844567 IBFLBWGUQAQQJY-HUUCEWRRSA-N 311.341 1.604 0 40 DDAB CN(c1ccccn1)C1CCN(C[C@H]2CCS(=O)(=O)C2)CC1 1889061994 GWTPMKMKVFUJAX-CQSZACIVSA-N 323.462 1.417 0 40 DDAB CCCNC(=S)NNC(=O)c1ccc2c(c1)nc(C)n2CC 15517017 ZDILTIVWERQCNQ-UHFFFAOYSA-N 319.434 1.884 0 40 DDAB O=C(c1csnn1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 1565552524 YLUMGJOZJHYZDM-KWCYVHTRSA-N 323.418 1.584 0 40 DDAB NC(=O)c1nc2c(s1)CCN(C(=O)C1CC(F)(F)C1)CC2 1565553932 HLZLHGRNVWMFGS-UHFFFAOYSA-N 315.345 1.215 0 40 DDAB Cc1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1 2298032373 GHKADRYYLIWSRS-UHFFFAOYSA-N 315.377 1.180 0 40 DDAB C=CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 36334877 MCIOJCUXFRBFRA-UHFFFAOYSA-N 308.403 1.322 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 30518640 DDZGZRVQSDMSCF-UHFFFAOYSA-N 323.374 1.038 0 40 DDAB COc1ccc(NC(=O)C(=O)NCc2ccccc2F)cn1 40268178 RTBJNPDBGAWBSA-UHFFFAOYSA-N 303.293 1.484 0 40 DDAB Cc1ccc(-c2noc(CN3CCN(CCO)CC3)n2)cc1F 40488125 TWTNSDGGPXWHTL-UHFFFAOYSA-N 320.368 1.294 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 40488738 XPIVCWBARRUDJK-VIFPVBQESA-N 323.823 1.114 0 40 DDAB Cc1cccc(N(C)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100723886 MSQRZJVZFINKLQ-MGBSGCIJSA-N 324.380 1.765 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cnn(C)c2)o1 40528038 JDQPMNHOALOVJM-MFKMUULPSA-N 309.391 1.957 0 40 DDAB COc1cc2cc(C(=O)N3CCN(C)CC3)[nH]c2cc1OC 20548502 MGCRVJJMMYMDRG-UHFFFAOYSA-N 303.362 1.573 0 40 DDAB Cn1cnc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1Cl 32469684 YOOZDEUJAQAGEY-VIFPVBQESA-N 319.814 1.263 0 40 DDAB Cc1noc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1 32656335 RWQWTLMWOUKYMP-UHFFFAOYSA-N 316.361 1.107 0 40 DDAB Cn1cc(Br)c(C(=O)n2nnc3ccccc32)n1 368914 UPVUUEZCZAEXTB-UHFFFAOYSA-N 306.123 1.616 0 40 DDAB CN(CCOc1ccc(Cl)cc1)Cc1nc(N)nc(N)n1 32751389 ZJSBZDGQTKJAMY-UHFFFAOYSA-N 308.773 1.200 0 40 DDAB CC1CCN(S(=O)(=O)N2CCN(c3ccccc3)CC2)CC1 32755022 DPGZQBLCQWWPBX-UHFFFAOYSA-N 323.462 1.785 0 40 DDAB Cc1cccc2sc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@H]43)nc12 32912455 WMUVZSPCQHTYJW-VHSXEESVSA-N 322.411 1.755 0 40 DDAB C[C@H](NC(=O)Nc1cccnc1)c1cccc(S(N)(=O)=O)c1 53234391 DRMSZZPHNYRYNA-JTQLQIEISA-N 320.374 1.612 0 40 DDAB O=C1N[C@@]2(CCSC2)C(=O)N1CCOc1ccc(F)cc1 22562041 YBJVWQOWEATSFM-CQSZACIVSA-N 310.350 1.632 0 40 DDAB CC1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 42127432 XDWCWBNECDCTOA-UHFFFAOYSA-N 324.812 1.839 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C1 53895303 QNPFEPYONCVMGG-NSHDSACASA-N 310.781 1.833 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CCC(=O)N1 42200375 YKTNDDFGLLDUQP-NSHDSACASA-N 311.179 1.686 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@@H]1Cc2ccccc2O1 47597479 OLPKBFOXBIEMQE-AWEZNQCLSA-N 300.362 1.576 0 40 DDAB Nc1nc(N)c2ncn(-c3ccc(Br)cc3)c2n1 1652248 SYYKVMSYLQEHIJ-UHFFFAOYSA-N 305.139 1.742 0 40 DDAB COC(=O)C1=C(C)N=C(S)N[C@H]1c1ccc(C(=O)O)cc1 2482020 GZEBTMRPQDLJIG-NSHDSACASA-N 306.343 1.762 0 40 DDAB Cc1c(O)nc2nnc(SCC(=O)N3CCCCC3)n2c1C 4250363 TYTGXBQMIDVTPX-UHFFFAOYSA-N 321.406 1.551 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 4317122 UWZBCOJETVDWSX-UHFFFAOYSA-N 300.249 1.274 0 40 DDAB CN(CC1CC1)C(=O)CCn1nc(O)c2ccccc2c1=O 47904391 ZKTOFXMLHQHYIV-UHFFFAOYSA-N 301.346 1.361 0 40 DDAB Cc1c([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)cnn1C 24999245 PCRCLPPYPYKWMU-JTQLQIEISA-N 321.402 1.623 0 40 DDAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(C=O)CC1 8495996 LTJVNFCYZQCCTR-UHFFFAOYSA-N 304.390 1.664 0 40 DDAB COc1ccc(CNS(=O)(=O)NCc2ccccc2F)cc1 1387512 KQDSZRMZBVEXSS-UHFFFAOYSA-N 324.377 1.959 0 40 DDAB COCCN1CCN([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1C 106776663 YJXRKXBRXKYJNR-JKSUJKDBSA-N 311.470 1.430 0 40 DDAB Cc1ccc(C(=O)Nc2cnn(C)c2)cc1NS(C)(=O)=O 25309704 LDPVORNBEAXXGN-UHFFFAOYSA-N 308.363 1.352 0 40 DDAB O=C(NCc1cccs1)[C@H](Cc1ccccc1)n1cnnn1 25362619 YZLUAPIGWMYEES-AWEZNQCLSA-N 313.386 1.835 0 40 DDAB CC(C)(C)c1n[nH]cc1CN[C@@H]1CC(=O)N(CC(F)(F)F)C1 95990099 LVBOVTOYZHUZDM-SNVBAGLBSA-N 318.343 1.960 0 40 DDAB O=C(CN1CCSCC1)N1[C@@H]2CC[C@@H]1c1snnc1C2 100214216 PHCPOWCNYVBSKY-MWLCHTKSSA-N 310.448 1.175 0 40 DDAB C=CC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 57179275 BXEBCAGFKWMJNU-BETUJISGSA-N 302.374 1.738 0 40 DDAB CC[C@H](C)NC(=O)CN1CCN(c2cccc(OC)c2)CC1 57331799 WLEUTYVWVCJQOP-AWEZNQCLSA-N 305.422 1.732 0 40 DDAB COC(=O)[C@@]12CCC[C@H]1CN(Cc1c(C)nn(C)c1OC)C2 108496682 UJTLNXDICKDJQN-BLLLJJGKSA-N 307.394 1.512 0 40 DDAB C[C@@H](C(N)=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 26890132 JAHBUUSFXNEBNX-RYUDHWBXSA-N 318.446 1.849 0 40 DDAB O=C(C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12614643 OTPNOLRRMTYDPD-UHFFFAOYSA-N 312.366 1.069 0 40 DDAB Cc1cccn2c(O)c(C(=O)NC3CCCCC3)c(=O)nc12 100562777 JRSCYISRHJXVBU-UHFFFAOYSA-N 301.346 1.771 0 40 DDAB CCOC(=O)c1sc2ncnc(N(CC)CCO)c2c1C 1942385 UPAMNPUMSGRAGT-UHFFFAOYSA-N 309.391 1.995 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1ccc(-n2cccc2)cc1 48287219 VKDMJLMDOZPTCT-UHFFFAOYSA-N 307.357 1.945 0 40 DDAB O=C(Cc1noc2ccccc12)NC[C@H]1CN2CCC[C@@H]2CO1 58162722 PVHGWRWUEZIESC-OLZOCXBDSA-N 315.373 1.350 0 40 DDAB C[C@@H](NC(=O)CN1CCCC1=O)c1ccc2c(c1)OCCO2 44868864 HAJHDKRXQAQDPH-LLVKDONJSA-N 304.346 1.257 0 40 DDAB Cn1cc(NC(=O)Cc2csc(N3CCCC3=O)n2)cn1 44915806 GLCNGLSPJVVYTK-UHFFFAOYSA-N 305.363 1.185 0 40 DDAB O=C(O)CCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12 2127954 CDSJWJFVBNSPEQ-UHFFFAOYSA-N 305.286 1.022 0 40 DDAB biogenic CCCNC(=O)[C@H](C)NC(=O)c1ccccc1N1CCOCC1 58327122 KKHGBPOCQKNBIM-ZDUSSCGKSA-N 319.405 1.168 0 40 DDAB COc1cc2c(cc1OC)CN(c1cc(C)nc(N)n1)CC2 45723897 JGFOMBHQOYQNDQ-UHFFFAOYSA-N 300.362 1.947 0 40 DDAB Cc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)n1C 29164819 KLSPAPDIJOOWDR-UHFFFAOYSA-N 307.375 1.957 0 40 DDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cccs1 46051219 RPCIBRXQNVLOOF-OLZOCXBDSA-N 310.419 1.215 0 40 DDAB Cc1cnc(C(=O)N2CCN(c3ccccc3F)CC2)cn1 3549506 MZQAOWZEDJXCEU-UHFFFAOYSA-N 300.337 1.887 0 40 DDAB CC(=O)N(C)CC(=O)NCc1ccnc(Oc2ccccc2)c1 46917296 JTYYGLKAHZBPBH-UHFFFAOYSA-N 313.357 1.968 0 40 DDAB C[C@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)C[C@H](C)O1 47131000 HOERUIOTTVDVPT-RYUDHWBXSA-N 322.361 1.613 0 40 DDAB COCCn1cc(C(=O)NCCc2ccc(F)cc2)ccc1=O 47196776 WDIYPKIVKQVIPO-UHFFFAOYSA-N 318.348 1.606 0 40 DDAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)O 12946205 CDGSPWQKWAKHGJ-MRXNPFEDSA-N 302.330 1.850 0 40 DDAB in-vitro CCN(CC)C(=O)CN(C)S(=O)(=O)[C@H](C)C(F)(F)F 96003803 RBKFGGDKUCRATO-MRVPVSSYSA-N 304.334 1.067 0 40 DDAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1 4061545 LLEKBVVXGVUUND-VIFPVBQESA-N 319.313 1.242 0 40 DDAB biogenic CCc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)o1 95415485 HXEMTFPVWXVXGM-GJZGRUSLSA-N 312.435 1.193 0 40 DDAB C[C@@H]1CN(C(=O)NCCn2cccc2)CCN1CC(F)(F)F 95977524 BSZNYFAZAYVETD-GFCCVEGCSA-N 318.343 1.766 0 40 DDAB C[C@@H](NC(=O)NCCc1nccs1)C(=O)N1CCCC[C@H]1C 65550831 OIKFONFFAYHKJD-VXGBXAGGSA-N 324.450 1.774 0 40 DDAB CCNC(=O)CCN1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 65605609 GQJMORUKUBVPOR-GASCZTMLSA-N 311.470 1.334 0 40 DDAB CN1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 14244380 BROZAMFAPYGCIZ-UHFFFAOYSA-N 318.808 1.697 0 40 DDAB CC[C@H]1CN(C(=O)Cn2nc(C)nc2-c2ccccc2)CCO1 66081258 AQSJRMUICVGIKR-HNNXBMFYSA-N 314.389 1.891 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1cccc2ncccc12 6764458 BEGFZSACESYORC-UHFFFAOYSA-N 300.362 1.241 0 40 DDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 6847392 FJUQTIWEBLERLG-OLZOCXBDSA-N 317.341 1.741 0 40 DDAB CCOCCCNS(=O)(=O)c1cc(OC)ccc1OC 6957904 FYWUPJRNDXDNNZ-UHFFFAOYSA-N 303.380 1.409 0 40 DDAB Cc1ccc(C(=O)NCCNC(=O)c2ccccc2F)cn1 4985494 FQAGBLWVSUXNMJ-UHFFFAOYSA-N 301.321 1.689 0 40 DDAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@]1(C(=O)O)CCOC1 85852091 XNSGJWWOYDVVQB-ZDUSSCGKSA-N 318.156 1.896 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)NCCN1CCCC1 7435902 VIUIEESPANJLKD-UHFFFAOYSA-N 317.389 1.587 0 40 DDAB Cn1cc([C@@H]2[C@@H](C(=O)O)CC(=O)N2Cc2ccsc2)cn1 71857704 NGEXPHIULZDTMM-WCQYABFASA-N 305.359 1.656 0 40 DDAB O=C([C@H]1CCCN1Cc1ccccc1)N1CCCn2ncnc21 71841577 HMOFCQFJGDFZMM-OAHLLOKOSA-N 311.389 1.679 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)no1 7776278 BVUAZXYBKANPFK-SSDOTTSWSA-N 309.351 1.322 0 40 DDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccc(Cl)cc1 69699637 WTQMXMOTGPIPAN-LBPRGKRZSA-N 317.794 1.969 0 40 DDAB C[C@@H](CNC(=O)Cn1cnnn1)c1c(Cl)cccc1Cl 69707260 SAUXVYVGMVXTFB-QMMMGPOBSA-N 314.176 1.900 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)CC1 69901687 WRYAIKWWQHPQJC-DZGCQCFKSA-N 308.422 1.915 0 40 DDAB Cc1cc(C)c(CNC(=O)c2ccc(-n3cccn3)nc2)c(=O)[nH]1 72248852 UGQFGATYERHUFV-UHFFFAOYSA-N 323.356 1.502 0 40 DDAB CNc1cc(N2CCC[C@H]2CNCc2cccnc2C)ncn1 72254078 JWPXVMYSRPDCDG-HNNXBMFYSA-N 312.421 1.980 0 40 DDAB Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](O)C1CC1)C(C)C 84234499 PNSCVBHHPSXALN-CVEARBPZSA-N 318.417 1.637 0 40 DDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccoc1 8919314 HWULSNZLKRYGCG-UHFFFAOYSA-N 303.270 1.862 0 40 DDAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)NCC1(CO)CC1 88618593 FIMXVTZPEPQIKM-KDOFPFPSSA-N 300.402 1.962 0 40 DDAB COC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)CCO3)CC1 89598269 QKTORDVSCHQALY-ZDUSSCGKSA-N 304.390 1.301 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)CCc3ccncc3)C2)no1 89718348 IGWAROORDBMRBT-INIZCTEOSA-N 315.421 1.912 0 40 DDAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)NC[C@H](O)C1CC1 89858010 YHEPHCFEPYZPHO-HFTRVMKXSA-N 300.402 1.961 0 40 DDAB Cc1cc(CN2CCN(C(=O)Nc3cnn(C)c3)CC2)on1 76062848 PPHVMXYGQKRIAV-UHFFFAOYSA-N 304.354 1.066 0 40 DDAB CCCCCNC(=O)COc1ccc(S(N)(=O)=O)cc1 514563001 QTRFXZIJHYIHNJ-UHFFFAOYSA-N 300.380 1.019 0 40 DDAB CCOC(=O)c1ncc(I)c(Cl)n1 521399261 QUAPDPAOEQXMRF-UHFFFAOYSA-N 312.494 1.911 0 40 DDAB COc1ccc2[nH]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1 35288826 FMISAOLHIGURIU-LLVKDONJSA-N 302.330 1.446 0 40 DDAB O=C(NC[C@H](O)[C@@H]1CCCO1)c1ncoc1-c1ccc(F)cc1 529775460 ZLHCPCHCVYBQCW-STQMWFEESA-N 320.320 1.750 0 40 DDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218444343 DZEVCIXWBXZONC-GVDBMIGSSA-N 317.410 1.625 0 40 DDAB O=C(Cn1cnc(-c2ccccc2)n1)N1CCOCC2(CC2)C1 542059777 ZYKANGMCBCQZGW-UHFFFAOYSA-N 312.373 1.584 0 40 DDAB O=C(Cc1c(F)cccc1F)NC1CC(N2CCOCC2)C1 521396422 WKASGEBXSGCINK-UHFFFAOYSA-N 310.344 1.487 0 40 DDAB Cn1c(-c2cccs2)nn(CCNC(=O)c2ccco2)c1=O 36708585 MIEYSEPAZYQSFL-UHFFFAOYSA-N 318.358 1.333 0 40 DDAB O[C@@]1(CNCc2ccc(-c3ccccc3)cc2)CNCCOC1 77393343 SRDVRGQUKHLQOZ-LJQANCHMSA-N 312.413 1.794 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217407217 ZHTZCFXJQVGVEQ-UHFFFAOYSA-N 310.331 1.498 0 40 DDAB O=C(O)CNC(=O)N1CCN(c2nsc3ccccc23)CC1 72401475 ZOUNDNZGZISDBR-UHFFFAOYSA-N 320.374 1.213 0 40 DDAB CCc1nccn1-c1cccc([C@@H]2CCCN(CC(N)=O)C2)n1 72355714 CSWMKTPDABNCND-CYBMUJFWSA-N 313.405 1.494 0 40 DDAB Cn1c(CCNc2ncnc3c2NC(=O)CN3)nc2ccccc21 41121597 HCABHOBAPZVLQS-UHFFFAOYSA-N 323.360 1.382 0 40 DDAB COC(=O)c1cccc(CN2CCC[C@H](C)C2)c1-c1nn[nH]n1 1570918875 UWEGBNYRSGHCCS-NSHDSACASA-N 315.377 1.885 0 40 DDAB CC[C@@]1(C)CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCO1 195574862 SWUHKGNYPYAVBJ-AAEUAGOBSA-N 323.359 1.834 0 40 DDAB Cc1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)N)C1 225636639 JOOYNIQOCQRURG-NWDGAFQWSA-N 300.399 1.882 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 47490078 AMVZNVWNDLEMLN-CQSZACIVSA-N 323.360 1.203 0 40 DDAB C[C@H]1CN(C(=O)[C@H](C)Oc2nn(C)c3ccccc23)C[C@@H](C)O1 226755055 CRSMPYBWSDZCMK-XQQFMLRXSA-N 317.389 1.976 0 40 DDAB C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCC2(N)CCC2)C1 572825406 FBTFTDGDXVWTAX-BARDWOONSA-N 309.454 1.839 0 40 DDAB Cc1ccnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 225602788 LDTJVAOAXSAHEF-UHFFFAOYSA-N 309.435 1.089 0 40 DDAB CC(C)[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225233164 WQHVVVVVWQBWHQ-TZMCWYRMSA-N 312.435 1.780 0 40 DDAB CC(C)c1nnc(SCC(=O)c2ccccc2)n(N)c1=O 197059655 JQPSRSPVVHAHDY-UHFFFAOYSA-N 304.375 1.451 0 40 DDAB CC(C)CC(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1 96264792 WIUXZKXMNIKDCZ-UHFFFAOYSA-N 309.435 1.818 0 40 DDAB CNC(=O)[C@H]1CCC2(CCN(c3ncc(C)cn3)CC2)CO1 96224904 JHXZMPRXIYSDRL-CYBMUJFWSA-N 304.394 1.297 0 40 DDAB CNc1ncnc2ncn(C[C@@H](O)COCc3cccs3)c12 96407753 OJXUKCDFZHTOLT-SNVBAGLBSA-N 319.390 1.507 0 40 DDAB COC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2cnn(C)c21 96198206 HBAXHHWOONQQLG-CYBMUJFWSA-N 300.362 1.510 0 40 DDAB CCn1ccnc1SC[C@@H]1CCCN(S(C)(=O)=O)C1 96461140 KTOPOZQZKHIGAB-LLVKDONJSA-N 303.453 1.667 0 40 DDAB O=C(N[C@@H]1CCc2[nH]c(=O)ccc2C1)c1ccc2c(c1)OCO2 96089167 XJYGASZDRWGCDL-GFCCVEGCSA-N 312.325 1.391 0 40 DDAB COc1ccc(-c2nn([C@@H](C)C(=O)O)c(=O)cc2OC)cc1 95095633 IZKJCGCPUOXDAP-VIFPVBQESA-N 304.302 1.573 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4cccnc4)C[C@@H]23)n1 96057255 HFPFAHHFKRHIMX-OAGGEKHMSA-N 314.389 1.710 0 40 DDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCN2CCCC2=O)no1 247944754 WAGPVKQQMZSQRQ-CQSZACIVSA-N 319.405 1.586 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccccc1 257291629 QHXHEAHVLBJBQW-BRWVUGGUSA-N 318.417 1.421 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257286458 PLQRNBPJSLDURO-GFCCVEGCSA-N 317.393 1.952 0 40 DDAB CN(C)c1cc(CC[C@H]2CN(c3cnccn3)CCO2)ccn1 257333152 YAJBUDKGXWUJOO-HNNXBMFYSA-N 313.405 1.776 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@H](Cc2ccccn2)C1 257207643 BIOUAKKOAPBNPA-CQSZACIVSA-N 312.373 1.120 0 40 DDAB CN(C(=O)CCCn1cccn1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257288639 PVAYOCSSXRSXKX-BFYDXBDKSA-N 320.437 1.109 0 40 DDAB CCOC(=O)N1CCC(O)(CN(C)[C@H]2CCCC[C@H]2O)CC1 585284037 QUSXKFRQFFDWQI-UONOGXRCSA-N 314.426 1.205 0 40 DDAB COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1nccn1C(C)C 585278962 XHCVLNAPPCBJQY-KRWDZBQOSA-N 322.453 1.923 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@H]21 585109082 SQZNRIGHPOVHHP-AGIUHOORSA-N 308.403 1.502 0 40 DDAB O=C(CN1CC[C@@](O)(COc2ccc(F)cc2)C1)N1CCCC1 585269585 ZZHVFWKHMYMXJW-KRWDZBQOSA-N 322.380 1.264 0 40 DDAB O=C(NC[C@H]1CN(C2CCCC2)Cc2ccnn21)N1CCCC1 585111581 CXYKTOZCDOQBIV-INIZCTEOSA-N 317.437 1.988 0 40 DDAB O=C(CN1CCC[C@@H](N2CCCCCC2)C1)N1CCOCC1 65605896 GFWUKMPARPYKQH-MRXNPFEDSA-N 309.454 1.186 0 40 DDAB O=C(Nc1cccc2cccnc12)N[C@H]1CCS(=O)(=O)C1 43529134 QJSBCTCKOJYDHB-NSHDSACASA-N 305.359 1.543 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)c1 44456952 QYYJRKOMGACPQY-LBPRGKRZSA-N 317.432 1.016 0 40 DDAB Cc1nnsc1C(=O)N1CCC[C@@H](COc2ncccn2)C1 1775995483 YGYPNQAYLLUTFL-LLVKDONJSA-N 319.390 1.568 0 40 DDAB CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@H](C)c1ccc(F)cc1 53088600 YFJIGMCMGQTAFO-GFCCVEGCSA-N 319.380 1.806 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(=NCCc2nccs2)[nH]c(C)n1 607853558 PSROGPCYCPFGLL-ZDUSSCGKSA-N 317.418 1.611 0 40 DDAB O=C(CC1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575605506 QLADFVLXQQYUHE-UHFFFAOYSA-N 314.311 1.944 0 40 DDAB COc1ccc(CNC(=O)COc2ccccc2C(N)=O)cc1 4562689 DOKJHOWJVCJEAJ-UHFFFAOYSA-N 314.341 1.489 0 40 DDAB CNC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 14186715 UAKCQJMDCBEPTM-UHFFFAOYSA-N 307.350 1.509 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1cccc(Br)c1 169980414 KLGOMSKSDYCNDX-UHFFFAOYSA-N 300.989 1.703 0 40 DDAB C[C@H]1CN(CCn2ccnn2)CCN1Cc1ccncc1F 2086903805 JOZONSNEJCPOGJ-ZDUSSCGKSA-N 304.373 1.019 0 40 DDAB Cn1c(=O)c2c(SCc3cccnc3)ccnc2n(C)c1=O 4331261 ZPMUZFYSPSQVPU-UHFFFAOYSA-N 314.370 1.320 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H](NS(=O)(=O)C2CC2)C1 2086884781 YNGXFMHLYJWELR-LBPRGKRZSA-N 313.423 1.338 0 40 DDAB C[C@H]1CN(c2ncnc3ncccc23)CCN1Cc1cnn(C)c1 2298050245 PPJGAMKCAJYNBT-ZDUSSCGKSA-N 323.404 1.469 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CCS(C)(=O)=O 40465941 ZGZUBLHMTMKMFY-UHFFFAOYSA-N 321.446 1.966 0 40 DDAB O=C1N[C@@H](CCC(=O)N2CCCC2)C(O)=Nc2ccccc21 32124274 BHDBADUKZKXHED-ZDUSSCGKSA-N 301.346 1.789 0 40 DDAB biogenic CC(C)C(=O)N[C@H]1CCCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 101553240 SZLXMHLTGLRBMU-XHSDSOJGSA-N 323.481 1.728 0 40 DDAB C[C@@H](CNC(=O)Cn1ccccc1=O)N1CCc2ccccc21 32817340 MAPGZUGBCINKAP-AWEZNQCLSA-N 311.385 1.416 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CC(C)C)o1 33020586 UZDMRRHTWLVKRX-SNVBAGLBSA-N 302.396 1.694 0 40 DDAB COc1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cn1 53448357 CUYDPMIBDSYNDP-UHFFFAOYSA-N 302.334 1.801 0 40 DDAB Cc1ccccc1C(C)(C)CNC(=O)N1CCS(=O)(=O)CC1 103866565 OILQEBRMCUIFER-UHFFFAOYSA-N 324.446 1.713 0 40 DDAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCC(C)C)cc1 22689837 ZUDWOKXTMITRJJ-UTSBKAFOSA-N 304.390 1.985 0 40 DDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)c1ccccc1F 22612851 GFLNAVJLWSNTLR-AWEZNQCLSA-N 308.334 1.436 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccccc2F)s1 104100670 VEFHDXIQPDEWRC-WNEGCBGQSA-N 305.374 1.800 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n(C)n1 42365409 WQSCPJLDYHZXOT-LBPRGKRZSA-N 313.361 1.111 0 40 DDAB Cc1cc2c(cc1Cl)Sc1n[nH]c(=O)n1S2(=O)=O 1645198 GMTZQHYVARYBMC-UHFFFAOYSA-N 303.752 1.235 0 40 DDAB Cc1csc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 47890168 QRTFBCJCODZQMV-UHFFFAOYSA-N 321.406 1.509 0 40 DDAB NC[C@@]1(N2CCOCC2)[C@@H]2CCC[C@]21CNc1ccccc1 102952964 BXXYPDNFTDDLKA-FGTMMUONSA-N 301.434 1.928 0 40 DDAB O=C(Cc1cccc2cccnc12)NCCNC(=O)c1ccco1 43506655 DSPLZJFUPDAOEH-UHFFFAOYSA-N 323.352 1.917 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCN(Cc2ccc(Cl)cc2)CC1 25407977 BYPYSQWZMXDZAT-NSHDSACASA-N 324.812 1.041 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C(=O)NC2CC2)C1 107319908 JXBISPFUXXHJDJ-HIFRSBDPSA-N 301.390 1.204 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)c2ccc3[nH]nnc3c2)c1C 12550866 OQVJMSQKQXNMDJ-UHFFFAOYSA-N 323.356 1.943 0 40 DDAB CCN1CCC[C@H]1CNC(=O)Cc1n[nH]c(=O)c2ccccc12 44571875 JZXKFIZOBSKLPW-LBPRGKRZSA-N 314.389 1.066 0 40 DDAB CNC(=O)NC(=O)CSc1nccn1-c1cccc(OC)c1 9156666 RLHHSTWTRZKURX-UHFFFAOYSA-N 320.374 1.429 0 40 DDAB C[C@H](NCC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 58160027 GQCQHQSCVFFRCT-VIFPVBQESA-N 315.295 1.908 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2F)C1 58290480 AHBUUKWKQNARFD-SECBINFHSA-N 318.345 1.575 0 40 DDAB CNC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58202485 XYOFBLUZBNWUHB-UHFFFAOYSA-N 312.123 1.012 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1cccs1 44934916 UJJJIPHBEKYKKW-UHFFFAOYSA-N 318.402 1.907 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)NC(C)(C)C 11352645 ORWWDHWPRQKMKA-UWVGGRQHSA-N 310.350 1.244 0 40 DDAB O=C(Nc1cccnc1-n1cccn1)N[C@H]1CCCCNC1=O 45667153 ONGVZHCCLZZMTM-LBPRGKRZSA-N 314.349 1.058 0 40 DDAB CCc1nnsc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 46047273 KZYCAVBLRKVPNV-LBPRGKRZSA-N 324.450 1.427 0 40 DDAB Cc1cc(CN(C)C(=O)NCc2ccnc(N(C)C)c2)no1 46285112 ZKQRWMKZPHQOMV-UHFFFAOYSA-N 303.366 1.786 0 40 DDAB CC(C)(C)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 11905139 IGIPMUACXMAGAW-UHFFFAOYSA-N 315.373 1.863 0 40 DDAB Cn1ncc(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c(Cl)c1=O 110660056 PMDZGBNVNQPHHV-RWMBFGLXSA-N 322.840 1.744 0 40 DDAB CCOC(=O)C1=NN(c2ccc(C)cc2)C[C@@H]1C(=O)OCC 59416373 DPVBBKKVCJFRSU-ZDUSSCGKSA-N 304.346 1.913 0 40 DDAB Cn1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cn1 25462688 WKHZMPSMBVETBK-UHFFFAOYSA-N 312.417 1.987 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 3461141 LXCWXRKSWNBTOT-YVEFUNNKSA-N 317.389 1.677 0 40 DDAB COc1ccc(Br)c(C(=O)O[C@H](C)C(N)=O)c1 3411822 KDGTYHYBFVBDQH-ZCFIWIBFSA-N 302.124 1.488 0 40 DDAB CC(C)(CO)C(C)(C)NC(=O)c1cn(Cc2ccccc2)nn1 96006399 RKXZXEIVUWNLGM-UHFFFAOYSA-N 316.405 1.853 0 40 DDAB CCCN(C)C[C@@H]1CCN(C(=O)Nc2c(C)nn(C)c2OC)C1 96005901 QSOICCUODOQUHI-ZDUSSCGKSA-N 323.441 1.933 0 40 DDAB CN1C[C@@H](C(=O)Nc2ccc(-n3cc(Cl)cn3)nc2)CC1=O 72401415 BUYFRNSWPDONEO-VIFPVBQESA-N 319.752 1.338 0 40 DDAB CC(NNc1cccc2ccccc12)=C1C(=O)NC(=O)NC1=O 9332733 ODHMDJVEGDQJJG-UHFFFAOYSA-N 310.313 1.396 0 40 DDAB C[C@H](CCNC(=O)NCCN1CCOCC1)c1ccccc1 65610821 IPHZBNMSCRZWIB-OAHLLOKOSA-N 305.422 1.812 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NOCc1ccccc1 14201975 IOMAILKDYDAENK-UHFFFAOYSA-N 309.325 1.714 0 40 DDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H](n2ccnc2)C1 71796468 KBZHQWJNDRVYER-MRXNPFEDSA-N 322.372 1.941 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(=O)n1C 71796496 LKOJABZGNHUZEO-CYBMUJFWSA-N 300.362 1.368 0 40 DDAB COC(=O)CNC(=O)CN(Cc1ccco1)Cc1cccs1 16350183 HWWOARWDIKLYDA-UHFFFAOYSA-N 322.386 1.633 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 7990695 PKZMBTVKEBUTQB-NOZJJQNGSA-N 301.346 1.525 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2cc(C)on2)c1 71875783 MTQUIQCCFFONQN-ZDUSSCGKSA-N 303.366 1.591 0 40 DDAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccnc2ccnn12 71888816 YMJCZALLASMQLP-KAMYIIQDSA-N 321.340 1.845 0 40 DDAB NC(=O)c1cc(NC(=O)CCc2ccsc2)cc(C(N)=O)c1 8232045 MOXSXCWMBMPTPR-UHFFFAOYSA-N 317.370 1.517 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(F)(F)F)cc1 8272047 GGCVYKBJDYCWBO-UHFFFAOYSA-N 313.235 1.194 0 40 DDAB C[C@H](Cn1cccn1)NCc1csc(-c2cnn(C)c2)n1 69374025 WJNJMKHGVXHHMC-LLVKDONJSA-N 302.407 1.918 0 40 DDAB Cc1cc(C)cc(C2(C(=O)NCCCS(N)(=O)=O)CC2)c1 71820099 KEFLWXLDEIGYKC-UHFFFAOYSA-N 310.419 1.130 0 40 DDAB O=c1[nH]c(CN2CCOCC2)nc2sc3c(c12)CCCC3 19926488 JYDWJEICQVGGIR-UHFFFAOYSA-N 305.403 1.696 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)N3CCOCC3)C2)c1 69490025 BLIOTJHFCLQVQF-GJZGRUSLSA-N 306.410 1.076 0 40 DDAB CCN1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 69456358 SOXPBUOBFMDSQD-UHFFFAOYSA-N 303.406 1.301 0 40 DDAB CCN(Cc1ccc(O)cc1)C(=O)NCCN1CCOCC1 69618098 MJMFVLABLIGDLZ-UHFFFAOYSA-N 307.394 1.256 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1c[nH]c2ccc(OC)cc12 69696528 KLDNZCSBCARGHM-UHFFFAOYSA-N 303.362 1.775 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1nc(-c3ccoc3)no1)CC2 69601206 AKOJLBSANTWFNM-LLVKDONJSA-N 314.349 1.588 0 40 DDAB O=c1cc(CN2CCC[C@H]2Cn2cccn2)nc2ccccn12 69740557 GMQONDWXMZQXNH-HNNXBMFYSA-N 309.373 1.556 0 40 DDAB CCOCCN1CCN(Cc2ccc(C(N)=O)cc2)C[C@@H]1C 69841048 PPZAFMBWHACWKY-AWEZNQCLSA-N 305.422 1.328 0 40 DDAB COCCN1CCN(Cc2csc(NC(C)=O)n2)C[C@@H]1C 69840948 UUJNHWVCZDOOCW-NSHDSACASA-N 312.439 1.254 0 40 DDAB C[C@@H](NC(=O)CS(=O)(=O)Cc1cscn1)c1ccccc1 69815017 BQTZCJNTRZVWAD-LLVKDONJSA-N 324.427 1.935 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cnc(-c3ccco3)s1)C2 69846058 LBAQTRIXEZZJJN-UHFFFAOYSA-N 315.358 1.959 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)Cc2ccc(C(N)=O)cc2)CC1 69901369 ZOFQGNIZSAWZFA-CQSZACIVSA-N 319.449 1.310 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1ccccc1C(F)(F)F 18941152 SZVKCHRPCKNWEP-UHFFFAOYSA-N 310.297 1.072 0 40 DDAB CCc1cnc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)s1 97058326 ZLDFJLUXEQQRRR-SNVBAGLBSA-N 322.434 1.516 0 40 DDAB CCS[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2c(cnn2C)c1=O 95983152 QZQHTRRZTPASNT-VXGBXAGGSA-N 320.418 1.666 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 95969483 FSAWUMKLGODKBN-LLVKDONJSA-N 317.320 1.948 0 40 DDAB COc1ccc(COC(=O)c2ccc3n[nH]c(=O)n3c2)cc1F 89457649 NROVTABRIWGMKT-UHFFFAOYSA-N 317.276 1.527 0 40 DDAB Cc1ccsc1CCCC(=O)NS(=O)(=O)N1CCCC1 89702021 ODAXMUCFCMNOAK-UHFFFAOYSA-N 316.448 1.836 0 40 DDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@H](n2cncn2)C1 75613148 YVNXBOPZPKVFCY-AWEZNQCLSA-N 302.382 1.116 0 40 DDAB Cc1nc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n[nH]1 76063075 YGPSHKANJNVSNO-UHFFFAOYSA-N 322.332 1.147 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(C1)OCc1cnc(NCC3CC3)nc12 306126702 FCSYNHGKECEYQO-KRWDZBQOSA-N 316.405 1.912 0 40 DDAB Cn1nc(CN2CCC3(CCC3)S(=O)(=O)CC2)cc1Cl 1549585627 RTNDBRYWZNMQPW-UHFFFAOYSA-N 317.842 1.617 0 40 DDAB Cn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ccc(O)nn1 528291722 BPSVEHQXFSPGNC-GFCCVEGCSA-N 300.366 1.920 0 40 DDAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCS(N)(=O)=O)cc1 77613162 LFIOKERLITZDSF-UONOGXRCSA-N 310.419 1.318 0 40 DDAB C[C@H](N)C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393039 AVEKLUSFGQYLRX-JSGCOSHPSA-N 305.378 1.251 0 40 DDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 35074021 VIXSOJVHFPXLGH-UHFFFAOYSA-N 308.447 1.892 0 40 DDAB COC[C@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218405533 VVRYEZUZMBECOL-GMXVVIOVSA-N 318.778 1.568 0 40 DDAB C[C@H](CCc1cccc(F)c1)NC(=O)C(=O)Nc1ccn(C)n1 77768476 GSJYXIPNARTKAN-LLVKDONJSA-N 318.352 1.635 0 40 DDAB OCCN1CCC(c2ccnc(Nc3cncnc3)n2)CC1 72354960 BWLLDCPFPZVRKI-UHFFFAOYSA-N 300.366 1.182 0 40 DDAB CCCCC(=O)Nc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 45953882 JWOIZSROHRJJFF-NSHDSACASA-N 303.362 1.654 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnc(O)c2ccccc12 527286515 LRWICQPWTFNTKU-CQSZACIVSA-N 313.357 1.633 0 40 DDAB O=C(Cn1ncsc1=O)Nc1ccnn1Cc1cccs1 135470655 LLGLYCRADWDGQL-UHFFFAOYSA-N 321.387 1.250 0 40 DDAB O=C([C@H](O)c1ccccc1)N1CCC[C@@H](Oc2cnccn2)C1 225473279 PXPUKYTUTYCUCX-GDBMZVCRSA-N 313.357 1.580 0 40 DDAB COc1ccc(-n2cnc(C(=O)NC[C@H]3CCCO3)c2)cc1 226753478 DJKPOHGTZGOMBJ-CQSZACIVSA-N 301.346 1.790 0 40 DDAB CN(C)c1ncc(NS(=O)(=O)c2ccccc2)c(N(C)C)n1 224340937 FMFQSNGVTRWFKI-UHFFFAOYSA-N 321.406 1.409 0 40 DDAB CC[C@H](N)C(=O)N1CCN(CCc2ccc(OC)cc2)CC1 225490149 PRSVTYXNOIPSIJ-INIZCTEOSA-N 305.422 1.119 0 40 DDAB Cc1nc(NC(=O)Cn2ncc3c2c(C)nn3C)sc1C 46087242 UNVHYJKRSBXJPC-UHFFFAOYSA-N 304.379 1.790 0 40 DDAB CCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 223134839 QKUCYXSLQOFVBU-UHFFFAOYSA-N 314.407 1.014 0 40 DDAB CC[C@@H](O)CN1CCN(c2ncccc2Br)CC1 225541003 WENXXOQTNZXWNI-LLVKDONJSA-N 314.227 1.737 0 40 DDAB COc1ccccc1CCNC(=O)CCNc1ncccn1 44818975 UPHNGTRSNHCVMT-UHFFFAOYSA-N 300.362 1.646 0 40 DDAB O=C(NCc1ccc(F)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85466804 MNGFGYXFSCZBMY-INIZCTEOSA-N 321.396 1.424 0 40 DDAB C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCc1cc(F)ccc1F 193896152 MASNMAWFWNMKHN-TVQRCGJNSA-N 311.332 1.331 0 40 DDAB Cc1ccc(S(=O)(=O)CC2(CS(C)(=O)=O)CC2)cc1C 332022011 VUFFADSYPVXOHE-UHFFFAOYSA-N 316.444 1.902 0 40 DDAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)C3CC3)ccc2NC1=O 96182231 LXDMENBCDRUYGP-INIZCTEOSA-N 318.329 1.688 0 40 DDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(CC1CC1)C2 96056971 JPRPYOFWGHDTEQ-WBVHZDCISA-N 310.438 1.372 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)NC3CCCC3)OCC(=O)N2C)cc1 96181477 MAHRMWJKOJDKNI-IAGOWNOFSA-N 316.401 1.952 0 40 DDAB CCCc1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)n(C)n1 97236227 UBDLDGIGYTXAKN-LLVKDONJSA-N 319.409 1.505 0 40 DDAB Cc1cnc(N2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)nc1 96161772 YRLHLVKLUZFXFR-IYBDPMFKSA-N 308.385 1.993 0 40 DDAB CCc1ccc(CN2C[C@@H](NC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)o1 96186840 LDAFKLQBBUGOPJ-PMPSAXMXSA-N 321.421 1.845 0 40 DDAB CC1(C)OC(=O)C[C@H]1C(=O)NCCn1cnc2ccccc21 96231636 GDPAFINSRDPPRE-NSHDSACASA-N 301.346 1.494 0 40 DDAB COC[C@@H]1CN(C(=O)COc2ccccc2)Cc2c1cnn2C 96197899 PSCVETIIVUFXAM-ZDUSSCGKSA-N 315.373 1.571 0 40 DDAB O=C(c1ccc2nsnc2c1)N1CC(Oc2cccnc2)C1 238896212 RBGYBJRKFTXQEW-UHFFFAOYSA-N 312.354 1.990 0 40 DDAB CO[C@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 96413299 APQFHXZZCAQWSP-VXGBXAGGSA-N 320.311 1.987 0 40 DDAB COc1ccc(CN2CCn3cc(CN(C)C)nc3C2)cc1 96197153 LFMAJEWOMAESNK-UHFFFAOYSA-N 300.406 1.969 0 40 DDAB CC[C@](C)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)O 94218580 PQKFGZAHHXRQJT-AWEZNQCLSA-N 313.375 1.214 0 40 DDAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H]1c1ccnc(O)n1 257280044 OJFSLYADPQIHHI-CYBMUJFWSA-N 311.345 1.827 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2ccnc(C)n2)CCO1 257311099 UHXWDDSMJTYGSI-CYBMUJFWSA-N 300.366 1.190 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2ccncc2)C1 257264028 LSOHMYNVAVMFNG-MRXNPFEDSA-N 314.389 1.954 0 40 DDAB Cc1nnsc1C(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 85560672 WWNBCKPGQNGTGF-SNVBAGLBSA-N 321.358 1.429 0 40 DDAB COCCN1CCC[C@@H](Cc2cnc(-c3ccnn3C)cn2)C1 257316071 VDZLSHSLMPRKQG-AWEZNQCLSA-N 315.421 1.778 0 40 DDAB O=C(/C=C/c1cccnc1)N1CC[C@@](O)(CN2CCCC2)C1 257327469 XBLVBTSPTIZMSX-FUTAKVPZSA-N 301.390 1.154 0 40 DDAB Cc1cccc(C[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 257306828 SWCXZQYRBWLIBS-HNNXBMFYSA-N 323.462 1.985 0 40 DDAB CC(C)Oc1cccc(C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)n1 262837130 RSJSUDIFSXKQGY-RISCZKNCSA-N 322.361 1.478 0 40 DDAB C[C@@H](CNC(=O)N(C)C)N(Cc1ccccc1)C(=O)N(C)C 276965044 QLKNECHWMQEXDM-ZDUSSCGKSA-N 306.410 1.830 0 40 DDAB Cn1nc(CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)ccc1=O 96123973 SMHVVNRUOZJXRV-UHFFFAOYSA-N 323.356 1.742 0 40 DDAB Cc1cncc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)c1 585098119 UIKWSQMJFKIGEG-HNNXBMFYSA-N 313.405 1.563 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3ncc(C)[nH]3)C2)n1 585181425 FJGSWJSENKLKAO-ZDUSSCGKSA-N 303.366 1.132 0 40 DDAB Cc1nc(CC(=O)N[C@@H]2CCO[C@H]2c2cc[nH]n2)c(C)s1 585123825 BKKKLQOGBURBCD-QMTHXVAHSA-N 306.391 1.672 0 40 DDAB CC(C)c1noc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)n1 583339054 RWSWSSHVQZYACC-JTQLQIEISA-N 302.400 1.053 0 40 DDAB O=C(C[C@H]1CN(Cc2ncccc2F)C[C@@H]1O)N1CCCC1 585275978 CESVTJOYZJDESO-WFASDCNBSA-N 307.369 1.026 0 40 DDAB CC(C)CCN1CCN(C(=O)CSc2nncn2C)CC1 69415140 ZJLGSNMDTGLHAZ-UHFFFAOYSA-N 311.455 1.098 0 40 DDAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N(C)C)CC1 36803915 NBLBWIBNVQMVNO-GFCCVEGCSA-N 323.441 1.134 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)o1 44297446 IBTHCUXWLDQQFM-MRVPVSSYSA-N 315.167 1.735 0 40 DDAB COC(=O)c1ccc(N2CCN(c3ncccn3)[C@H](C)C2)cc1 58217185 YQRNTRKBTUNHMJ-CYBMUJFWSA-N 312.373 1.978 0 40 DDAB O=c1c2ccnn2cnn1Cc1nc(-c2cccs2)no1 74118519 LECZTTSUNNLBAC-UHFFFAOYSA-N 300.303 1.051 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cc(C3CC3)ncn2)cc1 585360820 ABBPPOZWPCCHHX-UHFFFAOYSA-N 319.386 1.841 0 40 DDAB O=C(c1cccc2c1OCCO2)N1CC(Oc2ccncc2)C1 594180844 VAMKXWVFAAICAQ-UHFFFAOYSA-N 312.325 1.756 0 40 DDAB O=C(O)[C@@H](CO)Nc1nc(C(F)(F)F)nc2ccccc12 11768186 SHGXMGZDAPDOBC-MRVPVSSYSA-N 301.224 1.506 0 40 DDAB Cc1nnc2n1CCN(C(=O)/C=C/c1ccc(F)c(F)c1)CC2 11842101 JHRIEAKSTQSGRT-HWKANZROSA-N 318.327 1.963 0 40 DDAB O=C1c2c(O)cc(O)cc2O[C@@H](c2c(O)cccc2O)[C@@H]1O 14643344 NBQYBZYBTNQEQG-CABCVRRESA-N 304.254 1.186 0 40 DDAB biogenic,in-vitro Cn1cc(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 643913519 AEQCKNVAPPTMMR-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB Cc1oncc1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 245174525 YQYKEBKUKXTIGX-HAQNSBGRSA-N 302.334 1.893 0 40 DDAB O=C(NCC1(N2CCSCC2)CCOCC1)c1ccco1 1888882247 HBMSXUXPHCAHJJ-UHFFFAOYSA-N 310.419 1.607 0 40 DDAB CSC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 4685370 BKWKLRSAKRITBE-VIFPVBQESA-N 309.796 1.435 0 40 DDAB Cn1ccc(CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 2037905593 NGLNJOZQFZYNIJ-KRWDZBQOSA-N 319.380 1.965 0 40 DDAB CCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2CC 22732764 AORIRTNUYVXVTQ-UHFFFAOYSA-N 303.406 1.254 0 40 DDAB Cc1ncnc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c1C 2086889218 QULPVTHYPZSFGW-CYBMUJFWSA-N 324.450 1.486 0 40 DDAB Cn1cc(-c2ncccc2CNC(=O)Cc2cccnc2)cn1 575617467 CCZQBSKMWZPRHI-UHFFFAOYSA-N 307.357 1.736 0 40 DDAB Cc1nccc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298050221 DYSXOKBMNCALOQ-UHFFFAOYSA-N 321.388 1.692 0 40 DDAB CNC(=O)C1CCN(C(=O)CCc2nc(C(C)(C)C)no2)CC1 31227650 STMIJZWAVXKQOD-UHFFFAOYSA-N 322.409 1.284 0 40 DDAB Cc1cc(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)on1 40488757 PKNTUFFXXKEHPY-GFCCVEGCSA-N 317.345 1.693 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1Cc2ccccc2O1 40510776 GVFZYXZFXHGDKF-INIZCTEOSA-N 320.352 1.887 0 40 DDAB CN(Cc1ccco1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101270371 PJWTUTRLYJGVMY-KBPBESRZSA-N 316.357 1.579 0 40 DDAB O=C(NCC(F)(F)F)[C@@H]1CC(=O)N(Cc2ccccc2)C1 32990970 XLELHJBEEQQISD-LLVKDONJSA-N 300.280 1.714 0 40 DDAB COc1cccc(CNC(=O)CSCc2noc(C)n2)c1 32935354 BGNPUHUUPWUIST-UHFFFAOYSA-N 307.375 1.936 0 40 DDAB C[C@@H](CO)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 41379263 SPYNCWQVGWVXEJ-LURJTMIESA-N 324.686 1.794 0 40 DDAB CCN1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 22913322 OUJIDYOZEZRCAA-UHFFFAOYSA-N 308.426 1.226 0 40 DDAB Cc1cnc(C(=O)NCc2cccc(N3CCOC3=O)c2)cn1 47276857 MRFYQOUDLQMNRB-UHFFFAOYSA-N 312.329 1.672 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)Cn3cccn3)C2)c1 71185876 RUXCDTBKMIKVPJ-CABCVRRESA-N 301.394 1.888 0 40 DDAB Cc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1 880161 IRPBBGIGOVXWQK-UHFFFAOYSA-N 319.386 1.795 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCC[C@H]2O)CC1 78789486 FRZKVHQHYSNYFB-LSDHHAIUSA-N 314.389 1.234 0 40 DDAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCO[C@@H](CO)C1 78936195 DFTGPZJWRKUAEW-OCCSQVGLSA-N 306.362 1.140 0 40 DDAB Cc1cc(C(=O)OCCNc2ncnc3ccccc23)nn1C 79053019 SSLDYAGUXWRPIP-UHFFFAOYSA-N 311.345 1.941 0 40 DDAB Cc1cc(C)n(CCNC(=O)NCCn2nc(C)cc2C)n1 23226923 HBBRVLVAZAZELW-UHFFFAOYSA-N 304.398 1.313 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC(=O)N1CCc2ccccc21 4730946 RDTYCDGEXMUQLG-RMHZUWNSSA-N 322.364 1.383 0 40 DDAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)CC)cs1 6680401 SPCQWDVMHHGHBS-VIFPVBQESA-N 304.437 1.917 0 40 DDAB Cc1ccccc1C1(CNC(=O)N2CCNC(=O)[C@H]2C)CC1 106556865 GYVPPYQWIKOIPW-CYBMUJFWSA-N 301.390 1.557 0 40 DDAB CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(=O)[nH]c1 55717299 ONSZHOWXOBPJQN-UHFFFAOYSA-N 308.341 1.833 0 40 DDAB O=C(O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 8701474 CPXXEBLTHOXJET-UHFFFAOYSA-N 313.722 1.629 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(CC3CC3)C[C@H]1O2 107264630 IFINGJHKTRBXEC-ARFHVFGLSA-N 301.390 1.197 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1c1nccc(C(F)(F)F)n1 25570521 YFZPMPPUVZUFMN-VIFPVBQESA-N 300.284 1.743 0 40 DDAB CC(C)(NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(N)=O 57258448 CKCIIJXZNOCIIL-UHFFFAOYSA-N 306.753 1.519 0 40 DDAB COc1ccc([C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1F 44261542 BBNAIBBUXGKZNI-LRDDRELGSA-N 322.336 1.588 0 40 DDAB COc1ccccc1N1CC[C@H](N[C@H](C)[C@@H]2CCCO2)C1=O 108498161 UBNDEONHEAILLN-IPYPFGDCSA-N 304.390 1.958 0 40 DDAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1 27229280 KYHORNNRNRLTHM-IZZDOVSWSA-N 323.326 1.825 0 40 DDAB Cc1ccc(OC[C@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1 58210165 CKBLTCULKIIKFO-ZDUSSCGKSA-N 319.405 1.669 0 40 DDAB O=C(NCCN1CCCc2ccccc21)c1cnn2cccnc12 58230218 BWUQOKCUFPTWDP-UHFFFAOYSA-N 321.384 1.912 0 40 DDAB CN(C)c1cccc(C(=O)Nc2cccnc2-n2cncn2)c1 58341374 JVLMMSPZPZRXAL-UHFFFAOYSA-N 308.345 1.981 0 40 DDAB CC(C)(C)NC(=O)CN1CCN(C(=O)C[C@H]2C=CCC2)CC1 27995293 PFVWAVGZVZBUHP-AWEZNQCLSA-N 307.438 1.402 0 40 DDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1 27970533 IUHGJGWPARBCFB-UHFFFAOYSA-N 303.767 1.815 0 40 DDAB CC(C)(C)C(=O)N1CCC(C(=O)NO[C@H]2CCCCO2)CC1 58429652 FLSYXMJZGVRHNX-ZDUSSCGKSA-N 312.410 1.846 0 40 DDAB COC(=O)[C@H](C)CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 58415432 PIQJWPAQVXPCNC-SECBINFHSA-N 306.362 1.723 0 40 DDAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)C[C@@H](C)O1 28263731 XGUJRODDPQCRRM-BETUJISGSA-N 320.389 1.768 0 40 DDAB COc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1 3317921 VHMAUMRZZNLNSM-UHFFFAOYSA-N 318.329 1.773 0 40 DDAB CS(=O)(=O)CCNCc1ccccc1OCc1cccnc1 62423105 MZRXKZDRDARRIS-UHFFFAOYSA-N 320.414 1.795 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1 58983419 ZEZBGPICQLDDBZ-GJZGRUSLSA-N 316.401 1.707 0 40 DDAB Cc1ccsc1CNc1ccc(C(=O)NC[C@@H](O)CO)cc1 55167955 YLKWCPOHKVWQRY-CQSZACIVSA-N 320.414 1.752 0 40 DDAB CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1N 11520647 KCWWDDUYFWGJOL-UHFFFAOYSA-N 306.391 1.117 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(C[C@H]2CC=CCC2)CC1 93057347 HPXFPHRKMVUPKI-IRXDYDNUSA-N 321.465 1.208 0 40 DDAB CCn1ncc(NC(=O)[C@@H](C)n2ncc(Cl)c2C)c1C(N)=O 2778070 UQBBYCLNSVEHRH-MRVPVSSYSA-N 324.772 1.360 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(F)c1 3404966 YLHLFMGNMWPNBU-UHFFFAOYSA-N 322.317 1.782 0 40 DDAB Cc1nnc(NC(=O)CCc2c(C)nn3cnnc3c2C)s1 71286012 DHMWWBCPIULQBY-UHFFFAOYSA-N 317.378 1.472 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCCCCC1 13598304 VGZUJLLUXJDQCR-UHFFFAOYSA-N 306.362 1.761 0 40 DDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(C)O 96010000 FHZQAYBCKWLUCC-UHFFFAOYSA-N 317.455 1.547 0 40 DDAB CC(C)(C)OC(=O)N1CCO[C@H](COC(=O)c2cccnc2)C1 96013328 RKXVPNOMPOAZAF-ZDUSSCGKSA-N 322.361 1.874 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCNc1cnccn1 65393946 JHSPYAQGQVJCEM-IAQYHMDHSA-N 314.345 1.233 0 40 DDAB CC(C)NC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253457 HHILQAQJBYLRPO-UHFFFAOYSA-N 322.752 1.284 0 40 DDAB Cc1ccc(F)c(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1 72300535 YZJXJVDFJMVJAS-WFASDCNBSA-N 314.426 1.894 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)C1 65492238 YRJXENLKNDYXBS-MASHWEEQSA-N 316.357 1.195 0 40 DDAB C[C@H](CCc1ccccc1F)C(=O)NCC(=O)Nc1cn[nH]c1 72302830 AIVZMMVOWCDKRU-LLVKDONJSA-N 318.352 1.872 0 40 DDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCCC1 65566039 IBJABXFZKQTZGY-NSHDSACASA-N 308.469 1.106 0 40 DDAB Cc1ccccc1-c1noc(CN2CCCN(C(N)=O)CC2)n1 65603773 NHYMQSVNEBLMPM-UHFFFAOYSA-N 315.377 1.631 0 40 DDAB Cc1cc(CNS(=O)(=O)c2cc(F)ccc2F)nn1C 14233106 ZBPIFAAUVIVWQM-UHFFFAOYSA-N 301.318 1.485 0 40 DDAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2C1 4885586 SOEKLKQFNBQEDJ-JGVFFNPUSA-N 310.375 1.613 0 40 DDAB C[C@@H](O)[C@@H]1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 119498828 KXIVXWQUSAEGGZ-CHWSQXEVSA-N 316.405 1.908 0 40 DDAB CC1(C)C(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1(C)C 81319371 DJNULWYZEYZMHY-CYBMUJFWSA-N 321.465 1.609 0 40 DDAB CC[C@@H]1CN(c2cnc3ccccc3n2)CCN1C[C@@H](C)O 71859511 MZNZZVBNIJPZSB-ZIAGYGMSSA-N 300.406 1.911 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(CC2CC2)CC1 71821354 KDJJTHXSCJOKOG-UHFFFAOYSA-N 302.374 1.512 0 40 DDAB C[C@@H]1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 71842011 UPEIXWVWIVSTSB-GFCCVEGCSA-N 309.410 1.746 0 40 DDAB CCNC(=O)NC(=O)CNc1cccc(OC(F)F)c1C 69351790 NIATVXJCHNBUQX-UHFFFAOYSA-N 301.293 1.854 0 40 DDAB Cn1cccc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 71825688 VYPIKCWNBWBEQS-GFCCVEGCSA-N 304.371 1.674 0 40 DDAB CS(=O)(=O)Cc1ccc(C(=O)NCCc2ccco2)cc1 17910023 QJLJAHFIZCLTPE-UHFFFAOYSA-N 307.371 1.797 0 40 DDAB Cc1cccc(CS(=O)(=O)NCCNc2ncccn2)c1 71914587 FNBLSZLOBGPFOQ-UHFFFAOYSA-N 306.391 1.317 0 40 DDAB CCCN(C(=O)CNC[C@H]1CN(C)CCO1)C1=CCCCC1 69895013 OTDLQBOZOUZIKM-INIZCTEOSA-N 309.454 1.603 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1Cn1cccn1 69950240 RGNBBVZAMUBWHD-AWEZNQCLSA-N 316.409 1.337 0 40 DDAB Cc1cccc(C2=CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)c1 92694879 HVGXWPFIBYYGSX-KRWDZBQOSA-N 300.402 1.941 0 40 DDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O 8937254 FAGINUSFMIPOKE-CYBMUJFWSA-N 307.325 1.649 0 40 DDAB CCc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)sc1C 8923358 DRVNTUJIGLFHKQ-UHFFFAOYSA-N 321.406 1.809 0 40 DDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@H]2CCCO2)n1 84114740 ZIOAUIPOWHTSNT-GFCCVEGCSA-N 301.350 1.705 0 40 DDAB COCc1ccc(C(=O)N[C@@H](C)CCN2CCOCC2)cc1 72283826 FTBVLQMDLMQUIO-AWEZNQCLSA-N 306.406 1.674 0 40 DDAB Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)nc(N(C)C)n1 72241188 RVXQXDACTMUUGC-UHFFFAOYSA-N 319.453 1.890 0 40 DDAB COC(=O)c1cc(C)ccc1OC(=O)C1CCN(C(C)=O)CC1 72271122 HNOKUVCGPLECIN-UHFFFAOYSA-N 319.357 1.946 0 40 DDAB CN(CCNC(=O)N1CCC[C@@H](CO)C1)C(=O)OC(C)(C)C 72274330 GXRVUEHYBZKFCG-GFCCVEGCSA-N 315.414 1.267 0 40 DDAB O=C(NCCOc1ccc(F)cc1F)NC[C@@H]1CCOC1 72270174 YXHNRPUXQWDFFV-JTQLQIEISA-N 300.305 1.679 0 40 DDAB O=S(=O)(Nc1ncccn1)c1cnn(-c2ccccc2)c1 97114310 LHHKZIOIDDOYIR-UHFFFAOYSA-N 301.331 1.463 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CC(N)=O 95999816 DQOHZWTUZUPHBJ-OAHLLOKOSA-N 314.389 1.348 0 40 DDAB Cc1cnn(CC(=O)N(CCN(C)C)Cc2ccccc2)c1 95954420 VHFPNEMQVWEXJA-UHFFFAOYSA-N 300.406 1.782 0 40 DDAB C[C@]1(CO)CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 95940328 MBCNKZFKEFDBQI-KBXCAEBGSA-N 316.401 1.951 0 40 DDAB CCOC(=O)NCCNC(=O)Nc1ccc2c(c1)CCCN2C 75133470 PPZZZSRWIQXBSR-UHFFFAOYSA-N 320.393 1.937 0 40 DDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C)C[C@H]1C 89960400 YDHXVLVMOOVSSD-CYBMUJFWSA-N 324.446 1.646 0 40 DDAB Cn1cc(NC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)nn1 515782452 CLTIDTALGZOJLJ-SSDOTTSWSA-N 307.276 1.389 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C2 306127700 GFDSYCDMWKMHBI-LBPRGKRZSA-N 318.421 1.081 0 40 DDAB O=C(NS(=O)(=O)c1sccc1Cl)[C@@H]1CC1(F)F 408500605 PYGJSHXOCGDFMG-BYPYZUCNSA-N 301.723 1.862 0 40 DDAB COc1cccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCO3)c1 72227571 HZRSHQWNSKDWBC-HOTGVXAUSA-N 312.325 1.839 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCc1nncn1C1CC1 78603825 UEAKWHGPFAKSPP-UHFFFAOYSA-N 306.753 1.962 0 40 DDAB O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccccc1 75155717 PUMASNSSYHJIHT-MRXNPFEDSA-N 303.383 1.799 0 40 DDAB C[C@@H]1Cc2c(NC(=O)Cc3cccs3)nn(C)c2NC1=O 35597735 ZKRFFIIPHFAWIU-MRVPVSSYSA-N 304.375 1.794 0 40 DDAB CN1CCC(c2cnc(CCC(=O)NC3CCC3)cn2)CC1 72366488 FYJVQZWHRFPKTP-UHFFFAOYSA-N 302.422 1.887 0 40 DDAB CN1CCC(NC(=S)Nc2ccc(C(=O)N(C)C)cc2)CC1 225800545 WAXPUJUVRSQQBO-UHFFFAOYSA-N 320.462 1.769 0 40 DDAB C[C@@H](Oc1nn(C)c2ccccc12)C(=O)NCc1cnn(C)c1 226755261 PCUFJXCRCBNRRN-LLVKDONJSA-N 313.361 1.391 0 40 DDAB Cc1csc(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 570654431 IQYJJCSDAWCOKW-UHIISALHSA-N 308.403 1.613 0 40 DDAB CCc1ccc(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c(O)c1 191702043 CFPCNYIISUFJES-OAHLLOKOSA-N 316.405 1.721 0 40 DDAB Cc1cc(=O)c2cccc(C(F)(F)F)c2n1Cc1nnn[nH]1 40175743 AUVNZENBSHFNBH-UHFFFAOYSA-N 309.251 1.890 0 40 DDAB Cc1cc(C)cc(N(CCCC(=O)N(C)C)S(C)(=O)=O)c1 223404135 WQPOHZOHXYKGNQ-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB COc1ccc2oc(C(=O)N3CCO[C@H](C(=O)O)C3)c(C)c2c1 531746372 BJBRQYPIOKYZRH-ZDUSSCGKSA-N 319.313 1.675 0 40 DDAB COc1ccccc1C(=O)NCc1nc(C)cc(N(C)C)n1 224185357 YCEKRECWYZTNNJ-UHFFFAOYSA-N 300.362 1.790 0 40 DDAB Cn1ccnc1CN1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96245890 CVDLXQXSIRWEIK-CABCVRRESA-N 311.389 1.191 0 40 DDAB COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)N(C)C)CC2 96208831 HFPXVDQNKAGPOV-CQSZACIVSA-N 323.437 1.265 0 40 DDAB Cc1ccncc1NC(=O)C(=O)NC[C@@H](C)CN1CCCCC1 96411858 IRKIZTSHLJZGCI-CYBMUJFWSA-N 318.421 1.567 0 40 DDAB Cn1cccc1CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1 93683263 BRAZHPHLXAERBP-LLVKDONJSA-N 303.328 1.916 0 40 DDAB C=CC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 96228140 PSTQXQXXBJSONL-UHFFFAOYSA-N 305.422 1.252 0 40 DDAB CCc1ccc(CN2C[C@H](NC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)o1 96185840 LDAFKLQBBUGOPJ-JYJNAYRXSA-N 321.421 1.845 0 40 DDAB O=C(Cc1ccccn1)N1CCc2ncnc(NC3CC3)c2CC1 96255481 QVOARLWPAXNHHJ-UHFFFAOYSA-N 323.400 1.616 0 40 DDAB O=C([C@H]1CCOC1)N1CCCn2cnc(Cn3cccc3)c2C1 96259462 JADQLCCKYHRIMD-AWEZNQCLSA-N 314.389 1.502 0 40 DDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)Cc4ccco4)C[C@H]3O2)o1 96217823 BMGCVKGBWSUFMQ-IACUBPJLSA-N 317.345 1.372 0 40 DDAB COc1ccc(-c2cc(C(=O)N=c3[nH]cc[nH]3)[nH]n2)cc1OC 96118499 BEHFJSUDAFHFRP-UHFFFAOYSA-N 313.317 1.491 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(CCOC)C[C@@H]32)C(=O)N1CC1CC1 96261644 QETRMTMHYDTWIA-RVKKMQEKSA-N 319.449 1.774 0 40 DDAB O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107270 PCEQVWCEBHCQSI-ZBFHGGJFSA-N 306.362 1.865 0 40 DDAB O=C1N(Cc2cccnc2)CC12CCN(C[C@H]1CCOC1)CC2 96202889 HASAOBXVXPZZNU-MRXNPFEDSA-N 315.417 1.543 0 40 DDAB CC(C)(C)n1ncn([C@H]2CCN(CC(F)(F)F)C2=O)c1=O 97378357 JIFPOAXHDOHFOS-QMMMGPOBSA-N 306.288 1.136 0 40 DDAB CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3ncccn3)C2)C1 96226495 MQKFIGLNRDKXHD-MRXNPFEDSA-N 319.409 1.266 0 40 DDAB CC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1cccn(C)c1=O)CC2 245338939 PLMWXHAYOZTDJO-KBPBESRZSA-N 318.421 1.864 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@H]1c1ccc2c(c1)OCO2 242718229 XGPBHCZJTVKDJQ-WOPDTQHZSA-N 313.400 1.218 0 40 DDAB C[C@@H](O)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 248841481 GBJHVKLLDDFUMK-HONMWMINSA-N 311.813 1.765 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 257268021 MJXFWOFESNKAII-ZDUSSCGKSA-N 301.394 1.883 0 40 DDAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 604382726 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COC(=O)[C@H](C)N1CCN(Cc2cc(OC)ccc2OC)CC1 54114780 KOIXTEVWJWXZIX-ZDUSSCGKSA-N 322.405 1.383 0 40 DDAB Cn1nnnc1SC[C@@H](O)COc1cccc2ccccc12 61715404 HIQKYDNZTHTAEG-LBPRGKRZSA-N 316.386 1.895 0 40 DDAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2nc(C)no2)C1=O 40489684 YLYXEZYECSRWMR-HNNXBMFYSA-N 300.318 1.735 0 40 DDAB CCn1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 60353843 OYFGCFLJBFVMQR-UHFFFAOYSA-N 320.378 1.294 0 40 DDAB C[C@H](CS(C)(=O)=O)NC(=O)C1(c2ccc(Cl)cc2)CC1 78681944 ANUNQHDXEAKDSV-SNVBAGLBSA-N 315.822 1.921 0 40 DDAB O=C(O)[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(Cl)c2F)C1 92181465 IRIDDDONDIFMKH-SFYZADRCSA-N 319.741 1.787 0 40 DDAB CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594999 OBKXHNVEAMRUFD-DJIMGWMZSA-N 324.465 1.354 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1Cl 12919218 KJAJBHGRCFFNCH-UHFFFAOYSA-N 323.736 1.386 0 40 DDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccccc2)c1 13960220 SEUXPPULAQRSEV-FZKCQIBNSA-N 323.352 1.598 0 40 DDAB Cc1ccc(C(=O)NCc2cc(CC(C)C)no2)c(=O)n1C 19131820 QRWHCVVJJCZDNN-UHFFFAOYSA-N 303.362 1.810 0 40 DDAB CC(C)CN1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 9870488 XWWBLXNVFPCEKW-SNVBAGLBSA-N 308.359 1.655 0 40 DDAB Cc1ccc(CS(=O)(=O)N2CCC3(CC2)CNC(=O)C3)cc1 19210472 XFTUMLQWMJFXTP-UHFFFAOYSA-N 322.430 1.427 0 40 DDAB CCOC1(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)CCCC1 573764021 VHPMVOBJJCFRMV-UHFFFAOYSA-N 308.382 1.566 0 40 DDAB Cc1nc(N2CC(N(C)C(=O)OC(C)(C)C)C2)nc(O)c1F 1888888514 TUDNIEYUZVVENI-UHFFFAOYSA-N 312.345 1.685 0 40 DDAB O=C([C@@H]1CN(c2nc3ccccc3o2)CCO1)N1CCCC1 1889130324 MTXOELFZMBTBIB-AWEZNQCLSA-N 301.346 1.655 0 40 DDAB COc1ccccc1C(=O)N1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037985780 WBGQVMMQOAYJKU-JSGCOSHPSA-N 318.373 1.015 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)C3CC(C)C3)CC2)C1=O 1614947038 ICLRNHHQRUQHJN-JTTJXQCZSA-N 322.449 1.910 0 40 DDAB Cc1nc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)sc1C 2087129915 VZBCLWLLZKOFRR-LLVKDONJSA-N 315.464 1.811 0 40 DDAB O=C(NCc1cccs1)N1CC[C@@H](Oc2cnsn2)C1 1565523268 KNUCHQORBSBUGD-SECBINFHSA-N 310.404 1.963 0 40 DDAB O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)NC1CCCC1 10220953 BWHBYMUKRSXDNS-UHFFFAOYSA-N 315.373 1.811 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](Nc1ncc(F)cn1)CC2 2055739015 HNSIVOFCUOKBLG-SNVBAGLBSA-N 319.340 1.711 0 40 DDAB CC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055732406 ICIKXVFSACVTMX-UHFFFAOYSA-N 307.369 1.707 0 40 DDAB O=C1NCCN1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 206705203 CEDGFHLJFBOWKL-LBPRGKRZSA-N 317.267 1.171 0 40 DDAB O=C1CSc2ccc(C(=O)NCCCn3cccn3)cc2N1 30171895 AUPLAXOJHAGEIK-UHFFFAOYSA-N 316.386 1.747 0 40 DDAB CC(C)(C)c1noc(CN2CCN(c3ncccn3)CC2)n1 40490446 ZYDDLUVDRQISGV-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB COC[C@H](C)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40540170 MNWTYXOLUYDVNW-LBPRGKRZSA-N 303.362 1.316 0 40 DDAB COCCNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 40509293 MFELBHKPNQLZSO-UHFFFAOYSA-N 314.267 1.662 0 40 DDAB O=C(NCc1cnn(-c2ccc(F)cc2F)c1)[C@H]1CCCO1 52057430 BALLZDISCRDSBL-CQSZACIVSA-N 307.300 1.946 0 40 DDAB CCCCn1nnnc1Cn1nnc(-c2ccc(F)cc2)n1 32741709 JRNZBEPSYYUAKJ-UHFFFAOYSA-N 302.317 1.314 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1 81384 UYTZSRMIXIQRKY-UHFFFAOYSA-N 311.407 1.195 0 40 DDAB NC(=O)c1cc(Br)c(Br)cc1C(N)=O 1857794706 LUTKWQIOQQONIE-UHFFFAOYSA-N 321.956 1.409 0 40 DDAB NC(=O)NC[C@H]1CCCCN1Cc1nc(-c2ccco2)no1 71184889 QJZYLKOYRXNFNT-SNVBAGLBSA-N 305.338 1.352 0 40 DDAB C[S@](=O)c1ccccc1NC(=O)NCCCn1cccn1 83990401 PAQYUIUOKJJMSB-OAQYLSRUSA-N 306.391 1.832 0 40 DDAB O=C(C[C@@H]1NC(=S)NC1=O)c1ccc(Br)cc1 3056910 AREVHGLWNYGHSY-QMMMGPOBSA-N 313.176 1.395 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1 24257676 JAXMXSBBQJQFHY-UHFFFAOYSA-N 306.343 1.347 0 40 DDAB Cc1cc(C)n(CCC(=O)N[C@H]2CCCc3c2cnn3C)n1 24993843 VBFQXSANGWWECO-AWEZNQCLSA-N 301.394 1.817 0 40 DDAB CCOC(=O)N1CCN(C(=O)NCc2ccc(OC)cc2)CC1 24950033 FMDSDJHVKUBOIK-UHFFFAOYSA-N 321.377 1.679 0 40 DDAB C[C@H]1CN(CC2CCN([C@H](C)C(=O)NC3CC3)CC2)C[C@@H](C)O1 106583012 XMDUQYUZWNVHBN-QLFBSQMISA-N 323.481 1.475 0 40 DDAB Cc1cc(NC(=O)NC[C@@H]2CCCO2)n(-c2ccccn2)n1 43786737 PPUJTZOZBYMTHO-LBPRGKRZSA-N 301.350 1.876 0 40 DDAB COc1c(C)cnc(Cn2cc(-c3nnco3)ccc2=O)c1C 95398746 MEJHZVDUPGZYPN-UHFFFAOYSA-N 312.329 1.967 0 40 DDAB CN1CC[C@H](C(=O)Nc2ccnn2Cc2ccccc2)CC1=O 44343069 QOZWRPFVFKBIJC-AWEZNQCLSA-N 312.373 1.738 0 40 DDAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)N1CCCC1 100127818 SGEQEVLIQNQQPZ-ZIAGYGMSSA-N 304.390 1.716 0 40 DDAB NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 12601598 WLLKRUBHPUYHGG-UHFFFAOYSA-N 301.302 1.223 0 40 DDAB CN1C[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1=O 44911746 HCHSZVKRFZAWFT-STQMWFEESA-N 321.446 1.480 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[C@@H]1CCCO1 27889001 HOEGZLZBQIEBIG-WFBYXXMGSA-N 306.337 1.935 0 40 DDAB Cc1csc(CNC(=O)NCCN2CCCCCC2=O)n1 48299769 BOAPMDBCJSDBAZ-UHFFFAOYSA-N 310.423 1.653 0 40 DDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)[nH]n1 108526185 BPKRJIGLBOAVBW-CYBMUJFWSA-N 306.410 1.434 0 40 DDAB CS[C@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 47187114 ORXWDLPNRPXCHT-VXGBXAGGSA-N 309.435 1.674 0 40 DDAB O=C1CN(C(=O)COC(=O)c2ccco2)c2ccccc2N1 3523579 IJJDJXVCPPBVIE-UHFFFAOYSA-N 300.270 1.422 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 3904560 BFHNTYNTVBDTCC-VZAMPYOESA-N 312.369 1.965 0 40 DDAB CC(C)c1nc(COC(=O)c2cc3c([nH]c2=O)CCC3)no1 63976239 KEKWNHZNDIVTBC-UHFFFAOYSA-N 303.318 1.727 0 40 DDAB COCCn1cc(NC(=O)NCc2noc(C(C)(C)C)n2)cn1 72289170 LTLQIWUZMICRLI-UHFFFAOYSA-N 322.369 1.532 0 40 DDAB CCCC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13734594 ASOOIFFWQSVMNB-UHFFFAOYSA-N 311.345 1.525 0 40 DDAB CCNC(=O)COC(=O)c1cc(Br)ccc1N 9220355 UOQUPTRDROKFAT-UHFFFAOYSA-N 301.140 1.324 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc2nc[nH]c12 97164229 UKOJXHBGNDDHLB-UHFFFAOYSA-N 305.363 1.714 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cccnc1 65390773 PORQHSJXOLZHQU-GFCCVEGCSA-N 312.395 1.017 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N(C)c1ccccc1 9366676 RNPNCODJQMVNCO-MRVPVSSYSA-N 304.379 1.180 0 40 DDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 9316574 JHXAEWTWPIXCFT-INIZCTEOSA-N 313.313 1.685 0 40 DDAB CC(C)[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)NC(N)=O 5402781 IKYBGVKNTLFQMJ-LBPRGKRZSA-N 307.350 1.129 0 40 DDAB Cn1ncc(N2CCN(c3ccccc3)CC2)c(Cl)c1=O 6672922 NCAFMTZTXXIFAY-UHFFFAOYSA-N 304.781 1.760 0 40 DDAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C[S@]1=O 5720752 ONFXWNHSHPQFDF-XJZHNMMOSA-N 320.197 1.999 0 40 DDAB COc1cc(O)nc(S[C@@H](C)C(=O)Nc2cc(C)on2)n1 4999500 SVSCZXKRYBFHMG-ZETCQYMHSA-N 310.335 1.607 0 40 DDAB O=S(=O)(c1ccc(Br)cc1F)N1CCNCC1 15442733 HQVQITPTBVQZFS-UHFFFAOYSA-N 323.187 1.182 0 40 DDAB CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(N)=O)C1 96416953 TXFYSWCRUAYUMD-HUUCEWRRSA-N 304.390 1.214 0 40 DDAB NC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 8172109 XXIFKORZAITTSL-LBPRGKRZSA-N 309.797 1.154 0 40 DDAB NC(=O)CN(C(=O)c1ccn(-c2ccccc2)n1)C1CCCC1 71821136 GWOYFQNIKYPCLT-UHFFFAOYSA-N 312.373 1.742 0 40 DDAB CCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)cc1 71855397 MKHJHNCALVBQOD-UHFFFAOYSA-N 322.430 1.681 0 40 DDAB O[C@H](COC1CCOCC1)Cn1nccc1-c1ccncc1 95438831 UYULJFXBFBAZSX-AWEZNQCLSA-N 303.362 1.502 0 40 DDAB Cc1noc(C)c1CNCCc1ccc(S(N)(=O)=O)cc1 70138748 AMAKSPRNJZTLMV-UHFFFAOYSA-N 309.391 1.271 0 40 DDAB COc1ccc(CCNC(=O)C(C)(C)NC(C)=O)cc1OC 69455480 ZFTFYWUATBETSI-UHFFFAOYSA-N 308.378 1.277 0 40 DDAB CSc1sc(NC(=O)[C@H]2CCCN(C(N)=O)C2)nc1C 69454543 YUGIHRMVMIVFEQ-QMMMGPOBSA-N 314.436 1.903 0 40 DDAB CCN(CC)c1ccc(C(=O)N2CCC(CC(N)=O)CC2)cn1 71831128 IFRCRVQDGIRCPN-UHFFFAOYSA-N 318.421 1.655 0 40 DDAB Cc1nc(CC(=O)NCc2n[nH]c(=S)n2C2CC2)cs1 71889180 DRAXTRVCPPPTHS-UHFFFAOYSA-N 309.420 1.899 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)N3CCC(O)CC3)CC2=O)cc1 69699197 KEROEGGXVFOJDK-CYBMUJFWSA-N 302.374 1.331 0 40 DDAB C[C@H](NCC(=O)NCCOc1ccccc1)[C@@H](C)n1cccn1 69741383 OBNSUHNIDAUZGW-LSDHHAIUSA-N 316.405 1.617 0 40 DDAB Cc1ccnc(NC(=O)CN(C)C(=O)/C=C/c2cccnc2)c1 69775884 SESWUSDIROUQGC-AATRIKPKSA-N 310.357 1.895 0 40 DDAB Cc1ccc2[nH]c3c(=O)n(CCN4CCOCC4)cnc3c2c1 19995949 QWDXKJDVNBWTCW-UHFFFAOYSA-N 312.373 1.518 0 40 DDAB COCCN1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 69815014 TYZWHMAOUDNDJM-UHFFFAOYSA-N 322.840 1.991 0 40 DDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccn(C)n2)C1 71921721 WNMHIWWQOLPVRG-LBPRGKRZSA-N 307.398 1.436 0 40 DDAB C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(Cl)ccn1)C1CC1 71904483 LMMNBDRCXWXPIK-SECBINFHSA-N 316.810 1.773 0 40 DDAB Cc1cnn(CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 73946941 JMBNIDLCROXXJP-CABCVRRESA-N 305.426 1.460 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1c1ncnc2cc(F)c(F)cc12 95961959 CFQUCUIYVVGPTJ-RKDXNWHRSA-N 306.316 1.998 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)N3CC[C@@](C)(O)C3)CC2=O)cc1 75093334 WMZZSXGWQGWCLX-CRAIPNDOSA-N 316.401 1.327 0 40 DDAB CC1(C)CN(C(=O)c2cc(F)cc3[nH]cnc23)CC[S@@]1=O 89919648 YOSWLAWYAPHFQJ-OAQYLSRUSA-N 309.366 1.685 0 40 DDAB CCOCCCC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 76042384 VANMTAUETRRESC-OAHLLOKOSA-N 312.454 1.953 0 40 DDAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)S(C)(=O)=O 76068228 CXDVONBTGIMKNN-BXUZGUMPSA-N 315.410 1.942 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)CCCNc2ncccn2)no1 76043538 LKPYCAAJSBYKNT-GFCCVEGCSA-N 316.365 1.724 0 40 DDAB CN(C)c1cccc(C(=O)N(CC(=O)O)C2CCOCC2)c1 515040580 FXYXEJJCNGKPHZ-UHFFFAOYSA-N 306.362 1.458 0 40 DDAB O=C(O)/C=C\C(=O)Nc1ccccc1I 33299754 QMTLXDOIPAELJA-WAYWQWQTSA-N 317.082 1.871 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@@H]1c1cccc(F)c1 72241717 CNXZZLQJJWEGRS-JKSUJKDBSA-N 320.364 1.783 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)NCCn2ncccc2=O)cc1 56684735 DJCLUZKDMVGNSK-XYOKQWHBSA-N 319.386 1.142 0 40 DDAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1cccnc1 70967526 DLYHETXPPAKIPG-MRXNPFEDSA-N 318.398 1.658 0 40 DDAB CNC(=O)NCC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 182630101 OBKBDKPVTQSNGJ-UHFFFAOYSA-N 303.406 1.798 0 40 DDAB CCN(CC(N)=O)C(=O)Cc1coc(-c2ccc(F)cc2)n1 189701795 FTKDRILUGFUUKQ-UHFFFAOYSA-N 305.309 1.357 0 40 DDAB CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](C(=O)O)C1 32198787 WWYRKJITMDRSEN-HNNXBMFYSA-N 304.390 1.832 0 40 DDAB CCc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)cc(O)n1 562394123 NEOXXUWEOHWBNH-UHFFFAOYSA-N 322.361 1.446 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@H]2CCC[C@@H]2SC)CC1 74195727 LJJKQKYXXSIURJ-GJZGRUSLSA-N 313.511 1.757 0 40 DDAB Cc1cc(NC(=O)c2cc(NC(=O)C3CC3)n(C)n2)n(C)n1 46089085 GFAMHDBTFNYWKV-UHFFFAOYSA-N 302.338 1.063 0 40 DDAB Cn1nnn(-c2ccc(NC(=O)c3ccsc3)cc2)c1=O 75163143 DLAZYQKSHNFHNO-UHFFFAOYSA-N 301.331 1.280 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(-n2cccn2)cc1 40529424 WNAKJYMKCGLEQO-CQSZACIVSA-N 315.377 1.181 0 40 DDAB CC(C)n1cnnc1[S@](=O)CC(=O)NCc1ccc(F)cc1 86321932 SCAXFEGAXDNBGV-QFIPXVFZSA-N 324.381 1.422 0 40 DDAB CC[n+]1cc(Br)cc(-c2nn3cnnc3s2)c1 226774087 XYENSGYTYYUGBL-UHFFFAOYSA-N 311.188 1.923 0 40 DDAB Nc1cc(S(=O)(=O)C(F)(F)F)cc(Br)c1N 83749840 JIOGKDJXLOTZFI-UHFFFAOYSA-N 319.102 1.907 0 40 DDAB C[C@@H](CS(C)(=O)=O)NCc1nc2ccccc2n1C1CC1 194680910 AEESIPHAPMBLBZ-NSHDSACASA-N 307.419 1.894 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046147 SRPSBWOTTCQQAW-NUEKZKHPSA-N 317.389 1.582 0 40 DDAB CC1(C)C(=O)N(CC(=O)N2CCOCC2)c2ccc(Cl)cc21 96181598 KANFSAFLKMGOCO-UHFFFAOYSA-N 322.792 1.823 0 40 DDAB CO[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1ccncc1 96200305 NHMCATLKQGOPRJ-JKSUJKDBSA-N 304.390 1.667 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)cc(F)c1 96413616 XAEMMIYAENDURQ-PSLIRLAXSA-N 314.332 1.817 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)n1 96058188 KXYIQYSASYLULR-BFHYXJOUSA-N 303.366 1.464 0 40 DDAB COc1ccc(CN2C[C@H]3OCCN(C(C)=O)C[C@H]3C2)cc1 96108057 SLMPQTZFXUQAPX-NVXWUHKLSA-N 304.390 1.374 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CC=C(c2cccs2)CC1 96409974 GWPTXOASICLKSR-LBPRGKRZSA-N 311.428 1.799 0 40 DDAB COCCN1CC[C@]2(CCCN(Cc3csc(C)n3)C2)C1=O 96223982 VJSQPWXHOAVNOC-INIZCTEOSA-N 323.462 1.912 0 40 DDAB O=C(CCOc1ccccc1)N1CCO[C@H](c2cnccn2)C1 257213369 CHGKQHWKQYQFLB-INIZCTEOSA-N 313.357 1.846 0 40 DDAB O=C1CN([C@@H]2Cc3ccccc3[C@@H]2O)CCN1CC(F)(F)F 253417474 BBSBRHHBEGZYPN-OCCSQVGLSA-N 314.307 1.351 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ncccn2)C1 257211150 BXRNRRMVIGPRQE-LBPRGKRZSA-N 312.377 1.403 0 40 DDAB CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCCCN2CC2CC2)C1 257235908 HABDHQQQEMBTHD-JKSUJKDBSA-N 307.438 1.236 0 40 DDAB O=C(NC[C@H](C(=O)O)c1ccccc1)c1ccnc(C2CC2)n1 362773560 MOYPDDBQUQOXQJ-ZDUSSCGKSA-N 311.341 1.952 0 40 DDAB COc1ncc(C)cc1NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 272306166 XPFMCRGOZRVTKR-SNVBAGLBSA-N 318.381 1.882 0 40 DDAB C[C@@H](C(=O)N1CCC[C@@H]1c1ccn[nH]1)n1nnnc1C(C)(C)C 287078882 NEYFSHFFYGAZKE-CMPLNLGQSA-N 317.397 1.618 0 40 DDAB O=C(Cn1ncccc1=O)NCc1ccnc(-c2ccncc2)c1 390829383 YGAPWKPNWYFJTJ-UHFFFAOYSA-N 321.340 1.017 0 40 DDAB Cn1nccc1-c1cncc(CNC(=O)C2CCOCC2)c1 575605986 BUQDKQIGCKYOFX-UHFFFAOYSA-N 300.362 1.525 0 40 DDAB CN(C)C(=O)CN1CCC(Nc2ncnc3sccc23)CC1 68773140 HAWISFSIDQNYEL-UHFFFAOYSA-N 319.434 1.656 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)NCCCn1cncn1)C2 69516137 XAPJEENETJXWPM-ZDUSSCGKSA-N 316.361 1.044 0 40 DDAB CC(C)[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1cncn1 71819491 MMVSXUQJDDPART-OAHLLOKOSA-N 314.393 1.219 0 40 DDAB O=C(CNC(=O)c1ccoc1)Nc1ccc(-c2nc[nH]n2)cc1 72287600 QXYQHOANLRAJOF-UHFFFAOYSA-N 311.301 1.433 0 40 DDAB CN(CC(=O)N1CCNC1=O)Cc1cccc(C(F)(F)F)c1 53111433 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COc1nn(C)cc1C(=O)N1CCC[C@H](c2ccn(C)n2)C1 575607093 KYIZKGIAUALLQL-NSHDSACASA-N 303.366 1.182 0 40 DDAB CCCCCC[C@H](C)NC(=O)CSc1nc(N)nc(N)n1 19026610 LEKTVJLGVLBFGT-VIFPVBQESA-N 312.443 1.603 0 40 DDAB COc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1OC 9646998 CUOOXWYKSDJAGV-UHFFFAOYSA-N 322.361 1.281 0 40 DDAB COc1ccc([C@H](NC(=O)c2cnccn2)c2nccn2C)cc1 12114918 HMVINLVPPVBJJA-HNNXBMFYSA-N 323.356 1.738 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)Nc1nccs1 14430043 JSLGBPSKWQCKAK-UHFFFAOYSA-N 305.359 1.910 0 40 DDAB NC(=O)c1cc(N)ccc1N1CCN(Cc2ccccc2)CC1 225487167 TZZMNEVDRUHIDV-UHFFFAOYSA-N 310.401 1.690 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCC[C@]2(CCNC2=O)CC1 1614947907 NZUXQLCASATVDC-KRWDZBQOSA-N 304.365 1.887 0 40 DDAB C[C@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)C[C@H](C)O1 245774 HZFNPRUFZPYWPI-RYUDHWBXSA-N 304.346 1.620 0 40 DDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)c1cc[nH]c1)C2 2055747828 XSKGWOZJYDENKK-ZDUSSCGKSA-N 315.377 1.309 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1cccc(OC)c1)OC 575610977 CTPZPZIECDOJRU-CYBMUJFWSA-N 303.380 1.025 0 40 DDAB Cc1nc(N)nc(C)c1CCC(=O)N(C)CCN1CCCCC1 19657593 RLWDXIFJDHNFPJ-UHFFFAOYSA-N 319.453 1.553 0 40 DDAB Cc1cc(-c2noc(CNC(=O)/C=C/c3ccco3)n2)no1 225811525 HBYKKYQVKZEBGH-SNAWJCMRSA-N 300.274 1.956 0 40 DDAB CCNC(=O)CNC(=O)Nc1ccccc1Br 40525281 PJCQKUHJKSXVRJ-UHFFFAOYSA-N 300.156 1.707 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C 30522257 GRZNZKHSDGATLX-OLZOCXBDSA-N 316.357 1.960 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 100747132 AZERMEIHQZCSDJ-FQUUOJAGSA-N 301.298 1.482 0 40 DDAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(=O)[nH]n2)cc1OC 40535607 FJUSXRXRTRSBEF-SNVBAGLBSA-N 317.345 1.587 0 40 DDAB O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCC[n+]1ccccc1 286914 KAJVHSYIMJGDTK-ZIAGYGMSSA-N 305.785 1.882 0 40 DDAB COc1ncccc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 32270510 ZJFDCEGIFISMRX-CYBMUJFWSA-N 307.394 1.177 0 40 DDAB Cc1noc(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 21058479 UETRBKPDBMQECY-RYUDHWBXSA-N 323.437 1.838 0 40 DDAB Cc1ccc2[nH]cc(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3=O)c2c1 102054057 QZECAXBZAVEXET-CQSZACIVSA-N 313.357 1.742 0 40 DDAB CC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32736620 ICFRERRCOOKINV-JTQLQIEISA-N 311.359 1.262 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H]1COc2ccccc2O1 22689678 WMZGVYUMEGPJNI-SECBINFHSA-N 305.359 1.670 0 40 DDAB CCN(CC)C(=O)Cn1c(-c2nonc2N)nc2ccccc21 207961 SGUYDADMZRRSHK-UHFFFAOYSA-N 314.349 1.537 0 40 DDAB CN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 12459032 XLQKRWOLSWRCJU-UHFFFAOYSA-N 323.352 1.743 0 40 DDAB CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cccc(Cl)c1 78878712 LGHBDBVRPVFKHA-NSHDSACASA-N 319.835 1.900 0 40 DDAB CCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1 1357476 ZTUIJXPYEHEOQQ-UHFFFAOYSA-N 320.422 1.880 0 40 DDAB O=C(CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)NC1CC1 79012987 FSDVONYBRVOEFC-UHFFFAOYSA-N 311.341 1.254 0 40 DDAB COC(=O)[C@H]1CCCC[C@H]1NC(=O)Nc1cccnc1OC 79068668 VHHDXKOLZNGYNZ-WDEREUQCSA-N 307.350 1.944 0 40 DDAB Nc1cc2c(cc1C(=O)NCCc1ccccc1O)OCO2 1711685 MCOGJFLNAAGNNX-UHFFFAOYSA-N 300.314 1.676 0 40 DDAB O=C1CN(C(=O)c2cccc(OCc3cscn3)c2)CCN1 23420844 GFZJOQBNGZFFEY-UHFFFAOYSA-N 317.370 1.294 0 40 DDAB COc1ccc(CNC(=O)[C@@H](NC(C)=O)C(C)C)cc1OC 3503766 IDHHBNNXUVEVME-HNNXBMFYSA-N 308.378 1.481 0 40 DDAB Cc1ccc(CSc2nnc(CCC(=O)O)c(=O)[nH]2)cc1 4317174 ZUDBFIPEPMSHBN-UHFFFAOYSA-N 305.359 1.783 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCC[C@H](O)C1 43137121 ZZYAFOQEFIEPMF-GJZGRUSLSA-N 321.421 1.973 0 40 DDAB Cc1nn(C)c2ncc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc12 55394166 IGIKBMBXDBLLAS-AWEZNQCLSA-N 323.356 1.233 0 40 DDAB CC[C@H]1CN(c2ncnc3ccsc23)CCN1C[C@H](C)O 106840017 AUIAPNJTCHSAFW-RYUDHWBXSA-N 306.435 1.973 0 40 DDAB CS[C@@H](CO)[C@H](C)NC(=O)c1cc(Br)c[nH]1 97019279 GOPGJGGZJXOSDF-RCOVLWMOSA-N 307.213 1.619 0 40 DDAB CN(C)C(=O)c1ccc(N2CCC(c3cc(N)[nH]n3)CC2)nc1 97033922 KMEFHQVMANCOBW-UHFFFAOYSA-N 314.393 1.473 0 40 DDAB c1cc(CN2CCC[C@H](N3CCNCC3)C2)c2c(c1)OCCO2 97019927 YWSQCWNYKMLUQG-INIZCTEOSA-N 317.433 1.327 0 40 DDAB COCc1ccccc1CNC(=O)c1ccc(-n2cnnn2)cc1 25303055 DQDHZIHQRKIYMM-UHFFFAOYSA-N 323.356 1.739 0 40 DDAB C[C@@H]1C[C@@H](N2CC[C@H](N(C)Cc3nnc(C4CC4)o3)C2)C(=O)O1 84685909 GQHVQXNADBCFMT-KGYLQXTDSA-N 320.393 1.157 0 40 DDAB O=C(NC[C@@H](O)COc1cccc(F)c1)c1ccccc1O 56668723 IEJSHTPSSQFRQH-GFCCVEGCSA-N 305.305 1.701 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cc(F)c(F)c(F)c1 72275638 DINNQOWLDYFKAV-OQPBUACISA-N 317.263 1.725 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)n2ccnc2)C[C@@H]1N1CCOCC1 84735651 BDSHWZZAHMBHBU-KFWWJZLASA-N 306.410 1.013 0 40 DDAB CC(C)OCCCNS(=O)(=O)c1cccc(C(=O)O)c1 116595112 JIUUYBAGHAAVDD-UHFFFAOYSA-N 301.364 1.478 0 40 DDAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)CCOc1ccccc1)CCO2 107720194 JZADCMQXOVISQD-INMHGKMJSA-N 305.374 1.860 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(CO)O2)c(C)c1 100377026 GLOJGCJSTYQMNZ-IHETXDGRSA-N 313.353 1.499 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)c2ccnc(N(C)C)c2)no1 72299002 WEOXARPMAUZKRR-GFCCVEGCSA-N 301.350 1.816 0 40 DDAB COc1ccc(CN[C@@H](C(=O)NC(N)=O)C(C)C)cc1OC 58121848 LVITWPBMWMIAOC-CYBMUJFWSA-N 309.366 1.013 0 40 DDAB CS(=O)(=O)NCCCN(Cc1ccc(F)cc1F)C1CC1 58147644 LSRDSRLDSJWRIZ-UHFFFAOYSA-N 318.389 1.869 0 40 DDAB COc1cccc(C[C@H]2CCCN2C[C@H](O)Cn2cccn2)c1 58218827 SAYSTYNYXFBCFU-SJORKVTESA-N 315.417 1.960 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCn1cccn1 44911028 ANJBHELFKMWQPO-WFASDCNBSA-N 301.346 1.618 0 40 DDAB CSCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](c2ccccc2)C1 58368516 KOWOBHBUDYFSHE-ZIAGYGMSSA-N 321.446 1.793 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1nc(C)ncc1Cl)C2 72296619 NBEHIWWFZAYHCL-JTQLQIEISA-N 305.769 1.688 0 40 DDAB CCn1cc(NC(=O)CCN2C(=O)COc3ccccc32)cn1 58328093 ICBIIZOQRMFXCS-UHFFFAOYSA-N 314.345 1.657 0 40 DDAB Cc1ccc2c(cnn2CCC(=O)NCC(=O)N2CCCC2)c1 57279336 AESNUIPERRNIQO-UHFFFAOYSA-N 314.389 1.473 0 40 DDAB CC(=O)NCCC(=O)N1CCN(c2cccc(C)c2C)CC1 3393381 PYNZWCMELXTTPU-UHFFFAOYSA-N 303.406 1.478 0 40 DDAB O=c1cc(CN2CCn3c(nnc3C3CC3)C2)nc2ccccn12 72268417 ONAJCQDFJNPYMV-UHFFFAOYSA-N 322.372 1.179 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)c3ccoc3)CC2)C1=O 108527324 XQBXBIJWEWUSOY-KRWDZBQOSA-N 320.389 1.771 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 100484049 DZWMBXNPBAFQCI-XUXIUFHCSA-N 321.329 1.521 0 40 DDAB CCn1c(=O)c(N2CCC[C@@H](C(=O)O)C2)nc2ccccc21 45795933 VTBNFEIVLIJQMA-LLVKDONJSA-N 301.346 1.717 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)C=C(C)C)CC2)C1=O 108532470 RHESWLPVHJAFLL-QGZVFWFLSA-N 308.422 1.830 0 40 DDAB C[C@H]1CN(C(=O)NCc2cccnc2-n2cccn2)C[C@@H](C)O1 46095716 YVBLJPRBXXAVFG-BETUJISGSA-N 315.377 1.586 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1CCOC1)c1ccc2c(c1)CCC(=O)N2 46986846 KWVAPQNACKLMSV-VXGBXAGGSA-N 317.389 1.968 0 40 DDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cc1 3461147 DBZCQVYOOABXNK-QGZVFWFLSA-N 317.389 1.677 0 40 DDAB CCc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1 3405352 GIPDMYHMNFDUKZ-UHFFFAOYSA-N 305.285 1.955 0 40 DDAB CN1C[C@H](C(=O)N2CCO[C@H](CCc3ccccc3)C2)CC1=O 97111889 JDONLLULXAGFAF-HZPDHXFCSA-N 316.401 1.325 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)Nc3ccncc3)CC2)S1 72306098 GFHKOEVSUFCOCW-LLVKDONJSA-N 305.407 1.722 0 40 DDAB CC(C)c1n[nH]c(NC(=O)c2cn(Cc3cccs3)nn2)n1 72302846 OQAKRLPPYRYYEW-UHFFFAOYSA-N 317.378 1.882 0 40 DDAB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc(F)c(Cl)c1 13691974 XJSRFOOVQNRULE-VIFPVBQESA-N 309.688 1.593 0 40 DDAB C[C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)n1cccn1 65449790 MOSWNCNQKCHXHI-OLZOCXBDSA-N 300.366 1.019 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(F)cc3F)cnc21 14020028 OZHKLCVJVCNIAZ-UHFFFAOYSA-N 319.271 1.047 0 40 DDAB COC(=O)[C@@H](C)Sc1nnc(NC[C@@H]2CCCO2)s1 65553157 HDSMPRSLLRVARK-SFYZADRCSA-N 303.409 1.783 0 40 DDAB NC(=O)c1ccccc1NC(=O)CN(C[C@H]1CCOC1)C1CC1 65562253 MECBNBMTMACUSW-GFCCVEGCSA-N 317.389 1.225 0 40 DDAB CCCCN(C(=O)c1cc(S(=O)(=O)NC)cn1C)C1CC1 65586858 SWYGBEJGZUSPHG-UHFFFAOYSA-N 313.423 1.338 0 40 DDAB C[C@@H]1CC(=O)c2c(OCC(=O)N3CCNC3=O)ccc(F)c21 14122325 PRLXSIHQFNIXMO-MRVPVSSYSA-N 306.293 1.446 0 40 DDAB COC[C@]1(C)NC(=O)N(CCCOc2ccccc2C)C1=O 66082810 GIKBBIOFWXNLBL-INIZCTEOSA-N 306.362 1.721 0 40 DDAB OCCNC[C@H](O)COc1ccc(OCc2ccccc2)cc1 4723925 HBBXEWHBQPLEGQ-INIZCTEOSA-N 317.385 1.587 0 40 DDAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N3CCNC3=O)cc2C1 5772955 XXBQHEMQFZFIND-SECBINFHSA-N 322.386 1.582 0 40 DDAB O=C(CCNC(=O)c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15623585 OKAFJZHNWLHOLO-UHFFFAOYSA-N 324.340 1.615 0 40 DDAB CC(=O)N1CCCN(C(=O)CCn2cnc3ccccc32)CC1 71793458 VASRUIPHBYRTTC-UHFFFAOYSA-N 314.389 1.507 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Nc2ncnc3ccccc23)C1 67904555 NGUMTVQOLLJILP-NSHDSACASA-N 306.391 1.466 0 40 DDAB CCCn1cc(-c2ccnc(NC[C@@H]3COCCO3)n2)c(C)n1 20999325 MPGNITFJEPPNOW-CYBMUJFWSA-N 317.393 1.886 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3nccs3)CC2)n1 68126748 XKMDZXZCQZSPSD-UHFFFAOYSA-N 304.423 1.634 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)N2CCS(=O)(=O)CC2)c1 96421649 UDYIXNKXTONTFK-CYBMUJFWSA-N 310.419 1.539 0 40 DDAB CCS(=O)(=O)NCC(=O)N1C[C@H](c2ccsc2)C[C@H]1C 96485399 SZCOSWIUXMCINK-ZYHUDNBSSA-N 316.448 1.392 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 9514528 AIJMILZSXBINRT-CYBMUJFWSA-N 310.419 1.545 0 40 DDAB O=C(Cn1c(-c2cccnc2)noc1=O)N1CCc2ccccc21 68920470 OIVCPXAIPNRRNF-UHFFFAOYSA-N 322.324 1.488 0 40 DDAB COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(N)=O 69010204 ROIBRZSAZUPYMX-NSHDSACASA-N 305.161 1.625 0 40 DDAB CC[C@@H](C(=O)NC[C@H](C)N1CCN(C)CC1)c1ccccc1 71867420 ZIHNEIQAUUULAV-DOTOQJQBSA-N 303.450 1.932 0 40 DDAB COc1ccccc1[C@@H](C)CNC(=O)CCCn1cncn1 69367349 ZLASZEVEGYLJDW-ZDUSSCGKSA-N 302.378 1.987 0 40 DDAB Cc1nc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cs1 71834679 PKMCQZLRYZSCDM-LLVKDONJSA-N 309.435 1.777 0 40 DDAB NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 17066485 HLBMFADUKMOPBR-SECBINFHSA-N 324.431 1.763 0 40 DDAB O=C(CCN1CCO[C@@H](Cn2cccn2)C1)NC1CCCC1 69445352 XQJAJMRZEONWEQ-OAHLLOKOSA-N 306.410 1.033 0 40 DDAB Cc1ccsc1CNC(=O)CN1CCC(CN(C)C)CC1 71899653 OUWXTGZWGNGQHQ-UHFFFAOYSA-N 309.479 1.946 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 69589967 VZCLDSPCDYPGGV-WCQYABFASA-N 319.361 1.361 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H]1COc3ccccc3O1)C2 69665437 KKVIYWLRRRQPLU-ZDUSSCGKSA-N 314.345 1.023 0 40 DDAB CCCCS[C@@H](C)C(=O)N1CCN(c2ccc(=O)[nH]n2)CC1 69655063 IRWCDQWGQRINLX-LBPRGKRZSA-N 324.450 1.340 0 40 DDAB COCc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cc1 71804961 STJOLYZYJZQART-UHFFFAOYSA-N 305.378 1.240 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 8579255 PYGKQVPPAUWISY-LLVKDONJSA-N 319.405 1.173 0 40 DDAB biogenic C[C@@H]1CCN(C(=O)CN2CCN(CCO)CC2)[C@H]2CCCC[C@@H]21 69702172 UZXOSASHCMTBNF-ZACQAIPSSA-N 323.481 1.024 0 40 DDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]2CCCC[C@@H]21 69875242 FVAVWRKCRMYYBC-ZNMIVQPWSA-N 317.437 1.364 0 40 DDAB CN1CCN(CCOc2ccccc2NC(=O)NC2CC2)CC1 69897129 AYWOLKVXXVMAFQ-UHFFFAOYSA-N 318.421 1.597 0 40 DDAB CC(C)c1nc2n(n1)C[C@H](NCc1nnc(C3CC3)o1)CC2 69917736 CFMYBAFPDYRMQK-LLVKDONJSA-N 302.382 1.767 0 40 DDAB O=C1OCCN1CCN1CCCN(C(=O)c2cccs2)CC1 71900616 DKDRPKKDKVKQRP-UHFFFAOYSA-N 323.418 1.348 0 40 DDAB Cn1c(=O)/c(=C/c2cccnc2)s/c1=C/C(=O)C(C)(C)C 96794752 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DDAB Cc1n[nH]c([C@H]2CN(C(=O)CC(C3CC3)C3CC3)CCO2)n1 76045701 FWUILRAJXSBFHQ-CQSZACIVSA-N 304.394 1.839 0 40 DDAB CC(C)n1nccc1C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 548678876 YPVUSXHISBWSHE-OAHLLOKOSA-N 320.437 1.647 0 40 DDAB CC(C)Oc1ccc(CCNC(=O)Cn2ccccc2=O)cc1 32914532 LTZCUULKYXSQBD-UHFFFAOYSA-N 314.385 1.994 0 40 DDAB N[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218161909 QDGHABKKIPLKIS-JYJNAYRXSA-N 317.366 1.682 0 40 DDAB CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 552352327 JLLFNWYRYYLTPE-GFCCVEGCSA-N 315.373 1.170 0 40 DDAB CCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C 71195959 VBBYPLDTDITBPN-UHFFFAOYSA-N 310.419 1.937 0 40 DDAB CCCc1nnc(SCC(=O)NC(C)C)n1CCOC 35313886 PIGFPADWSQKOLJ-UHFFFAOYSA-N 300.428 1.494 0 40 DDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)Cc2ccccc2)n1 211098626 FLCZAUAGHHQGMO-UHFFFAOYSA-N 320.418 1.471 0 40 DDAB O=C1CC[C@](C(=O)N2CC3(CCOC3)C2)(c2ccccc2)CN1 568214674 AHASDJVXARPGCD-GOSISDBHSA-N 314.385 1.083 0 40 DDAB CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN 79391114 MSLXBJIHXNQASN-ZDUSSCGKSA-N 313.442 1.972 0 40 DDAB Cc1cccc(C(=O)NCc2ccnc(N3CCOCC3)n2)c1 224215102 JVOSVFWTHDRXHE-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB CN(C)[C@H](Cc1ccc(I)cc1)C(=O)O 225144445 FZFVMTOKAPVUKZ-SNVBAGLBSA-N 319.142 1.849 0 40 DDAB O=C(CSCc1ccc(F)cc1)NCCN1CCOCC1 44901194 UKNNBWXIRZKZJF-UHFFFAOYSA-N 312.410 1.507 0 40 DDAB Cc1ccc2oc(=O)c(C(=O)N3CCC(C(N)=O)CC3)cc2c1 226037217 NQTWBJSGCPFGRW-UHFFFAOYSA-N 314.341 1.439 0 40 DDAB CS(=O)(=O)[C@H]1CCCC[C@H]1NCC1(CO)CC2(CCC2)C1 330336627 SOPCHAOQTIILBL-KGLIPLIRSA-N 315.479 1.875 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2C[C@@H](CO)[C@H](O)C2)cc1OCC 85468736 QSWWLEQSSAIKDM-BFHYXJOUSA-N 323.389 1.346 0 40 DDAB CN(C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 96184320 NEKDZFWFYGRYRS-GJZGRUSLSA-N 307.463 1.527 0 40 DDAB Cc1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(CN(C)C)C1 96208775 ASBHJERJDFGUAL-ZBFHGGJFSA-N 324.446 1.194 0 40 DDAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccnc1OC 96041465 JRNLSQZIRLYPPF-BFHYXJOUSA-N 306.362 1.499 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1 96061140 XNWMLRWWHDVMSL-ZDUSSCGKSA-N 306.362 1.522 0 40 DDAB CCN1CCCC[C@@H]1C(=O)NC[C@H](O)CN1CCC(C)CC1 96407852 WKZBOISOMNVTJA-JKSUJKDBSA-N 311.470 1.070 0 40 DDAB O=C(c1cnccn1)N1CC2(CCN(Cc3ccsc3)C2)C1 96046494 PCDJOWAKRZCWOW-UHFFFAOYSA-N 314.414 1.886 0 40 DDAB O=C(NCc1cccs1)[C@H]1CN(CCO)CC12CCOCC2 96241174 RAULJEJXIWHCDL-CQSZACIVSA-N 324.446 1.085 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)NC(C)C)CC2 96254720 ZOHRIBVJNKDLIE-UHFFFAOYSA-N 317.437 1.904 0 40 DDAB O=C(c1ccc[nH]1)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082021 CXGJGMYNCSHPRZ-GJZGRUSLSA-N 324.384 1.530 0 40 DDAB CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 96388602 RRILKGRALNTHCA-CYBMUJFWSA-N 313.354 1.225 0 40 DDAB O=C(O)c1cn(-c2ncnc3c2cnn3-c2ccccc2)cn1 96517340 GOUDKDIHUTWKBC-UHFFFAOYSA-N 306.285 1.699 0 40 DDAB CCOC[C@@H]1CN(c2cc(OC)ncn2)Cc2nccn2C1 247888138 LRTBMTJBVDBBAV-LBPRGKRZSA-N 303.366 1.355 0 40 DDAB COc1ccc(CNC(=O)C(=O)NCc2ccccc2C)cc1 244364970 XVWBNMOXKITNQX-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB COc1ccccc1[C@@H]1CN(CC(=O)N2CCCC2)CCN1C 257308606 TXIWSQQZOYPGTC-INIZCTEOSA-N 317.433 1.606 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccc(F)cc2)n1 257293164 QOKAIUDURIAJKS-AWEZNQCLSA-N 319.336 1.836 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2ccncc2)n1 257262322 LKXSUZNJSQIVKE-MRXNPFEDSA-N 311.389 1.911 0 40 DDAB CCN(C[C@@]1(C)Cc2c(N)nc(N)nc2O1)C(=O)OC(C)(C)C 257321679 WCSIKCFPKUPLPD-OAHLLOKOSA-N 323.397 1.592 0 40 DDAB O=C(CN1CCOCC1)N1CCC[C@@H]1CCc1ccncc1 257332777 XYPDGHCIXRIVJJ-MRXNPFEDSA-N 303.406 1.337 0 40 DDAB COc1cc(CCC(=O)N2CC[C@@H](c3nccc(C)n3)C2)on1 257204406 AUKLGLNMNLSROJ-GFCCVEGCSA-N 316.361 1.730 0 40 DDAB Cc1ncncc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1 257293393 QPHKHQWRADEDEG-UHFFFAOYSA-N 321.384 1.986 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 257311364 UJBRBNUQNSWIHX-LBPRGKRZSA-N 315.377 1.910 0 40 DDAB COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)c(C)c1 260842891 YLFFIXIINADPRP-ABAIWWIYSA-N 324.402 1.366 0 40 DDAB CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@@H]12 299843784 YCCGPKDBFWGAGQ-BZUAXINKSA-N 324.446 1.073 0 40 DDAB Cc1ccc(C[C@@H](CO)N=c2ccc(C(=O)O)n[nH]2)cc1C 571884367 RAOJYQZZDQTPQT-ZDUSSCGKSA-N 301.346 1.229 0 40 DDAB CC1(C)CN(C[C@@](C)(O)C(=O)O)C[C@H](COc2ccccc2)O1 579496619 MOEWZICJSKZSDX-RHSMWYFYSA-N 323.389 1.380 0 40 DDAB Cc1cncc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 585149287 GEDAAUUPYPVSGP-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB C[C@H]1C[C@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CCN1C 585140891 LEKZJCFTINEGJU-GXTWGEPZSA-N 322.453 1.948 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)C1CCC(F)(F)CC1 585288399 ZMLJLIORIQWKLE-UPJWGTAASA-N 321.364 1.699 0 40 DDAB CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)NCc1cc(C)no1 585281513 YLZQMGJWDYJBJM-GJZGRUSLSA-N 323.393 1.405 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccs1 35178428 IKOUHNPTDRFUOE-UWVGGRQHSA-N 310.375 1.030 0 40 DDAB Cc1cccnc1OCC1CCN(Cc2ncnn2C)CC1 1775996132 WRSGKVTYKGFICL-UHFFFAOYSA-N 301.394 1.810 0 40 DDAB CN(Cc1ccccc1)C(=O)CCNc1ncnc2[nH]cnc12 58379762 QKJJCFZUOLWJPN-UHFFFAOYSA-N 310.361 1.814 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c(=O)[nH]1 75118612 YTUKXCHDGWCYON-CYBMUJFWSA-N 323.356 1.703 0 40 DDAB Cc1cnc2n(c1=O)[C@H](CC(=O)Nc1ccccn1)CS2 12667226 MVWUQQRPLIKLCW-SNVBAGLBSA-N 302.359 1.622 0 40 DDAB Cc1cc2nc(COC(=O)COc3ccccc3)cc(=O)n2o1 15734209 UXGVWEYQAZGQML-UHFFFAOYSA-N 314.297 1.718 0 40 DDAB Cc1ccc(C2(CNC(=O)c3c[nH]c(=O)[nH]3)CCOCC2)cc1 19208707 UQDDSUOBZWCTOH-UHFFFAOYSA-N 315.373 1.490 0 40 DDAB CCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O 19526943 GHFHKXNDHFOYDS-JKSUJKDBSA-N 315.417 1.370 0 40 DDAB Cc1n[nH]cc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 19747080 PCLCIIVQOHOCKA-MRXNPFEDSA-N 320.393 1.008 0 40 DDAB CN1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1 19897190 HJMNFIOHVFURBM-UHFFFAOYSA-N 309.369 1.574 0 40 DDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1c3ccccc3C[C@H]1O)C2 165121054 DIGRAPIHZGZSEK-VUCTXSBTSA-N 311.385 1.598 0 40 DDAB COc1ccc(CC(=O)Nc2cnc(OC)nc2N(C)C)cc1 207982131 QXNMJXHLJULPPW-UHFFFAOYSA-N 316.361 1.741 0 40 DDAB FC(F)(F)c1nnc2ccc(N3C[C@H]4C[C@H]3CS4)nn12 575617160 PXXKZHHMCYJDPS-NKWVEPMBSA-N 301.297 1.837 0 40 DDAB Cc1nnc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)o1 1849319058 WMDCIFGAZRRWBC-UHFFFAOYSA-N 322.800 1.922 0 40 DDAB CN(CC1CN(c2cc(C3CC3)ncn2)C1)S(=O)(=O)C1CC1 1888849977 AHIRWLNJMNJXFD-UHFFFAOYSA-N 322.434 1.214 0 40 DDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)C5CC5)C[C@H]4C3)n1)CCC2 1888854252 OYLHBCOEXVFHQD-ZIAGYGMSSA-N 312.417 1.578 0 40 DDAB CC(C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 16660835 IUGZWXDPRIOKRV-UHFFFAOYSA-N 310.375 1.457 0 40 DDAB COc1ccccc1CN1CCO[C@]2(CCCCN(C)C2=O)C1 2037981218 ZVLZQNMFDOFLTC-GOSISDBHSA-N 318.417 1.909 0 40 DDAB O=C1CC(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)=CC=N1 2056224060 BRWSYVDJXNUGHD-CYBMUJFWSA-N 319.430 1.096 0 40 DDAB CCn1nccc1C(=O)N1CC2(C[C@H](NCC3CC3)CS2)C1 2056224555 VEWSXSLZLAXRGK-ZDUSSCGKSA-N 320.462 1.603 0 40 DDAB C[C@@H]1SCC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 2711124 ZXAZDVIRKPSOSX-QMMMGPOBSA-N 312.778 1.769 0 40 DDAB CCC(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781599 RYITXSBRKNSXMD-UHFFFAOYSA-N 304.394 1.137 0 40 DDAB COc1ccccc1N1CCN(C(=O)Cn2cccn2)CC1 40476022 VLHLBMYSWIGEPE-UHFFFAOYSA-N 300.362 1.241 0 40 DDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 40511915 DYILMNCKWCBYJI-SECBINFHSA-N 301.268 1.739 0 40 DDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc2c(c1)OCCO2 40528044 RKRZHIXKDDRFJO-SNVBAGLBSA-N 323.374 1.231 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1ccncc1 32124182 GQWYXKWHXOFKGE-AWEZNQCLSA-N 324.340 1.488 0 40 DDAB biogenic COc1ccc(Br)cc1Cn1cc(CCO)nn1 52222956 JGMRXUXGIWAPPS-UHFFFAOYSA-N 312.167 1.632 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)Nc1ncccn1 21212433 ZBQVTTJSOJQETE-UHFFFAOYSA-N 301.331 1.277 0 40 DDAB CC(C)CN(CC(N)=O)S(=O)(=O)C1=Cc2ccccc2CC1 42159094 RPMBETUXVXATIM-UHFFFAOYSA-N 322.430 1.747 0 40 DDAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(Cl)cn1 37436085 KSFTZIQQVHVDAD-SNVBAGLBSA-N 311.769 1.494 0 40 DDAB in-vitro CC[C@@H](CO)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 47599476 RVWZZMSFWYPNJE-UONOGXRCSA-N 309.410 1.877 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc2oc(=O)ccc2c1 54251924 RWAIQKJLWOXKGC-ZWNOBZJWSA-N 314.341 1.894 0 40 DDAB C[C@@H]1C[C@@H](N2CCC[C@H](C(=O)Nc3nccs3)C2)C(=O)O1 79886107 HFYPXMSGNXKICJ-OUAUKWLOSA-N 309.391 1.498 0 40 DDAB C[C@H]1SCC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 2711123 MBGGNTIRKCNLIZ-MRVPVSSYSA-N 312.778 1.769 0 40 DDAB O=C(CCC(=O)NC[C@H]1CCCO1)NCCc1ccccc1 4615176 ABCSMDWPNAEWBX-OAHLLOKOSA-N 304.390 1.421 0 40 DDAB CCc1nn(CC(=O)NC(C)C)c(=O)c2cc3occc3n12 6807338 QPGBSOBVOCXHAG-UHFFFAOYSA-N 302.334 1.329 0 40 DDAB O=C(CCc1nccs1)N1CCN(c2nccs2)CC1 55160382 CQCWNRUKSRZZLG-UHFFFAOYSA-N 308.432 1.881 0 40 DDAB CN(C)c1cc(C(=O)NC[C@H](c2ccco2)N(C)C)ccn1 48016425 WSXZFFKBJWJIKI-CYBMUJFWSA-N 302.378 1.773 0 40 DDAB Cc1csc(N2CCN(C[C@@H](O)Cn3cccn3)C[C@H]2C)n1 106844311 JLEUVCBXBNLZOO-ZIAGYGMSSA-N 321.450 1.220 0 40 DDAB Nc1nnc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1N 8655347 VSUGYQFLCFFKQN-UHFFFAOYSA-N 314.271 1.164 0 40 DDAB COc1ccc(OCC(=O)NCc2cccc(C(N)=O)c2)cc1 25333141 RTXLWIJQWFRFGP-UHFFFAOYSA-N 314.341 1.489 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1cnn(-c2ccccc2)c1 107317836 GMFZOULIUZEFEX-QWHCGFSZSA-N 321.402 1.670 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)C(=O)Nc1cc(C)no1 107504685 HNZNHRZINPGVEG-MRVWCRGKSA-N 322.409 1.547 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)O[C@H]3CCOC3=O)c(C)n2n1 26197177 KXWCFZHEGHTDBX-ZDUSSCGKSA-N 317.345 1.446 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)cc1C(N)=O 26760207 VGDATBWLHPESAD-LLVKDONJSA-N 319.386 1.528 0 40 DDAB Cc1cc(CN(C)C(=O)Nc2ccc(-n3cncn3)nc2)no1 48133338 MCNIZQUMTAFACR-UHFFFAOYSA-N 313.321 1.623 0 40 DDAB CN(Cc1ccc(F)c(F)c1)c1nc2c(cnn2C)c(=O)[nH]1 57841320 GEBDGBDDIICOFD-UHFFFAOYSA-N 305.288 1.571 0 40 DDAB CN(C)[C@@H](CN1C(=O)c2ccccc2S1(=O)=O)c1ccco1 44644632 SJJDPSUVAOWMST-LBPRGKRZSA-N 320.370 1.727 0 40 DDAB C[C@H](N[C@H](C)c1ccccc1N(C)C)C(=O)N1CCOCC1 89588350 XTCMFVPPHMFJMN-KGLIPLIRSA-N 305.422 1.651 0 40 DDAB COCCCNC(=O)[C@H](C)S(=O)(=O)c1cc(F)ccc1F 44947439 FFWICOADBDKJMI-VIFPVBQESA-N 321.345 1.280 0 40 DDAB C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2nccn2C)CCO1 44967203 LTUCCPKMQOEDQQ-UKRRQHHQSA-N 314.389 1.940 0 40 DDAB CCCn1c(C)cc(C(=O)COC(=O)c2nccnc2N)c1C 3364784 VITFIQHCXHLGPB-UHFFFAOYSA-N 316.361 1.927 0 40 DDAB Cc1cc2nc(SCC(=O)NC3CCCC3)[nH]c(=O)c2[nH]1 57520850 LVTSVQRWFCRWMG-UHFFFAOYSA-N 306.391 1.711 0 40 DDAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccn1 10557467 ZNCLRIONNPJDJK-LLVKDONJSA-N 308.341 1.738 0 40 DDAB O=C(O)c1ccccc1Cn1nnn(-c2cccs2)c1=O 48373930 YEJIKIQOOPXXEA-UHFFFAOYSA-N 302.315 1.237 0 40 DDAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(F)cc2)n1 21596177 XFGIPNUTTKTMME-UHFFFAOYSA-N 322.369 1.595 0 40 DDAB C[C@@H]1NC(=S)N(Cc2ccc(N3CCCCC3)nc2)C1=O 55179010 VPATWWCQXDFFRQ-NSHDSACASA-N 304.419 1.677 0 40 DDAB O=C(c1cc[nH]c(=O)c1)N1CCn2c(nnc2-c2ccccc2)C1 89853158 DHTZBTNZQLQBIJ-UHFFFAOYSA-N 321.340 1.289 0 40 DDAB Cn1nnc(-c2ccccc2NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n1 71285072 DTXISFHMFABOBH-WDEREUQCSA-N 315.333 1.172 0 40 DDAB COc1cccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1OC 2436662 APYCTGXYMOLJGP-UXBLZVDNSA-N 323.326 1.825 0 40 DDAB COc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)c(OC)c1 36728062 RGWFOPONARKXAF-UHFFFAOYSA-N 314.341 1.733 0 40 DDAB CN(C)C(=S)SCC(=O)NC(=O)NCc1ccccc1 3420695 BXIOXMNSVUKPCP-UHFFFAOYSA-N 311.432 1.592 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 2743269 UVSDXEXYSKIAKH-UHFFFAOYSA-N 317.581 1.643 0 40 DDAB COc1ccc(CN2CCC(CNC(=O)NCCO)CC2)cc1 63394083 SLBFBNKDPFMDOK-UHFFFAOYSA-N 321.421 1.199 0 40 DDAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nccs1 13570350 KZCSUBLVJYFAAI-LURJTMIESA-N 306.376 1.929 0 40 DDAB C[C@@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)Nc1ccccc1 95456893 QIHXPAUAQOQJGE-SJKOYZFVSA-N 317.389 1.579 0 40 DDAB C[C@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1nncn1C 65563144 XOOQEVZSGATCLV-AAEUAGOBSA-N 300.366 1.818 0 40 DDAB CCc1[nH]c(C(=O)OCC(=O)N2CCCC2)c(C)c1C(=O)OC 14169309 RRAYHAXXFDLBAY-UHFFFAOYSA-N 322.361 1.451 0 40 DDAB C[C@H](OC(=O)/C=C/c1ccc(Br)s1)C(N)=O 5491038 UHYJQPAPLJNHAV-QVQDZQDPSA-N 304.165 1.941 0 40 DDAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O 4648647 QNQYYPBUYWBYRK-YRNVUSSQSA-N 307.327 1.992 0 40 DDAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(Cl)c1 5629147 LMFWJFVEHZJAAN-UHFFFAOYSA-N 323.736 1.316 0 40 DDAB Cc1csc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)n1 21483327 BYGUAWCZNUDKBY-UHFFFAOYSA-N 303.343 1.712 0 40 DDAB CC(C)c1ccccc1OC[C@H](O)CN1C(=O)CN(C)C1=O 40465526 ZSHWFDYTHVHKCP-GFCCVEGCSA-N 306.362 1.444 0 40 DDAB CC(C)c1cc(CN2CCN(c3cc(N)nc(N)n3)CC2)on1 67774817 ZFXKYBMHJGSEII-UHFFFAOYSA-N 317.397 1.075 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C2CC2)[nH]n1 67731813 ICULABWVTOMIGF-LBPRGKRZSA-N 322.434 1.717 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1 80514760 SLSICHNNUBSLTI-RYUDHWBXSA-N 304.456 1.887 0 40 DDAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCNC1=O 7633410 ATQMNLNTJSUQRJ-SECBINFHSA-N 317.374 1.504 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CCCN(CCn3cccn3)C2)nc1 80927439 FFZRYHHAKYYLHX-OAHLLOKOSA-N 313.405 1.937 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 68661287 PXXLOXAECWIHNB-GHMZBOCLSA-N 318.377 1.047 0 40 DDAB CNS(=O)(=O)c1cc(NC(=O)CCSC)ccc1C 9596619 VPXCKXQZWCHEBB-UHFFFAOYSA-N 302.421 1.595 0 40 DDAB COC[C@H](C)N1C[C@H](C(=O)N2CCc3ccccc32)CC1=O 8234960 FDACGUGQXRYZKW-GXTWGEPZSA-N 302.374 1.459 0 40 DDAB CO[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccco1 69371656 AYSYHBOVXYLDGN-JQWIXIFHSA-N 312.391 1.174 0 40 DDAB O=C(NC1CC(c2ccccc2)C1)N1CCS(=O)(=O)CC1 71803987 WNELFDZAACRHAF-UHFFFAOYSA-N 308.403 1.373 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)c2cc(C)no2)CC1 69626686 WUPWYZYHWQGGEP-UHFFFAOYSA-N 317.393 1.548 0 40 DDAB CNC(=O)Cn1cc(NC(=O)C(C)(C)c2ccccc2F)cn1 69669060 WRFUDZSLZGDILM-UHFFFAOYSA-N 318.352 1.685 0 40 DDAB CCOCCN1CCN(CC(=O)NCc2cccs2)CC1 69627122 JYVVKLAFTAFIOQ-UHFFFAOYSA-N 311.451 1.018 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NNc2ccccc2)ccc1O 8517977 AWLFJTKVSCHULD-UHFFFAOYSA-N 308.315 1.396 0 40 DDAB Cc1cc(Br)ccc1CN1CCN2C(=O)NC[C@@H]2C1 91865482 HEWYIMZOEUETOJ-CYBMUJFWSA-N 324.222 1.967 0 40 DDAB CONC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 17821833 PQLGAWSBQHGUQQ-UHFFFAOYSA-N 312.391 1.543 0 40 DDAB C[C@H]1OCC[C@@H]1Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 97046028 ZOWOIQHVJQWYPP-YPMHNXCESA-N 321.402 1.865 0 40 DDAB Cn1cc(CNCC(=O)NC(C)(C)C)c(-c2ccncc2)n1 97159953 XTLWGXHEMLSDKR-UHFFFAOYSA-N 301.394 1.486 0 40 DDAB O=C(c1[nH]nc(C2CC2)c1Cl)N1CCN(C2CC2)C(=O)C1 88696086 DNCCTRXJSACUPI-UHFFFAOYSA-N 308.769 1.387 0 40 DDAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C1CCOCC1 95948667 XHGISWSODCFNAS-HNNXBMFYSA-N 316.357 1.706 0 40 DDAB C[C@H]1CCC[C@H](C)N(S(=O)(=O)CCCS(C)(=O)=O)C1 95961874 WUTBKOFBZPBLOM-RYUDHWBXSA-N 311.469 1.261 0 40 DDAB C[C@@H]1CC(C)(C)CC[C@H]1NC[C@@H](Cc1cnn(C)c1)C(N)=O 95940841 VYFHIJYXFKCSGJ-BPLDGKMQSA-N 306.454 1.869 0 40 DDAB CC(C)N1CCC[C@H](N2CCN(C(=O)c3ccoc3)CC2)C1=O 95963666 XYUBXZFJJWDFSD-HNNXBMFYSA-N 319.405 1.437 0 40 DDAB CCc1ccc([C@@H](COC)NC(=O)N2CCC[C@H](CO)C2)o1 74570791 BMIIFZVUBNSSIZ-GXTWGEPZSA-N 310.394 1.943 0 40 DDAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@H](O)c1ccccc1 89825779 YQJDPWCOFQRACH-HZPDHXFCSA-N 316.401 1.627 0 40 DDAB O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1cc[nH]n1 75415741 FQBWKZMRKCSDKW-UHFFFAOYSA-N 314.389 1.661 0 40 DDAB O=C(c1ccc(-n2cccc2)c(F)c1)N1CCN(CCO)CC1 75604660 IWNMLJGQCYYRQM-UHFFFAOYSA-N 317.364 1.367 0 40 DDAB CCc1cc(C(=O)NS(=O)(=O)[C@@H]2CC3CCC2CC3)n[nH]1 408492821 KQPCUKUJOILFGV-SRHKJQAYSA-N 311.407 1.610 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ncc(F)cn2)C1 548334192 QZZSHAOQTGNZAK-CQSZACIVSA-N 321.381 1.622 0 40 DDAB C[C@@H](NC(=O)Nc1cn(C)nn1)[C@@H]1OCCc2sccc21 521394737 GNTHUQGISQVEKX-PELKAZGASA-N 307.379 1.701 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](c3cccc(C(N)=O)n3)C2)n1 72369163 IOJQHZSWFLDORV-ZDUSSCGKSA-N 311.389 1.971 0 40 DDAB O=C(c1nc(COc2ccc3c(c2)OCO3)no1)N1CCCC1 32102461 KSDGORPNXXNDGX-UHFFFAOYSA-N 317.301 1.613 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](N)[C@@H]1c1ccc(Br)cc1 218209292 WUZBETBPAMOOCP-GARJFASQSA-N 304.209 1.677 0 40 DDAB CC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 72364869 IJTJQOSGJYGSJZ-AWEZNQCLSA-N 304.394 1.348 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2cncnc2)cc1 73252155 SBDZKDFSRKHFLM-WFASDCNBSA-N 324.384 1.799 0 40 DDAB C[C@H](NC(=O)c1c(C(=O)O)cnn1C)c1ccc2c(c1)OCO2 36615522 CCXQGTPOWGXSJT-QMMMGPOBSA-N 317.301 1.338 0 40 DDAB NCC(=O)NC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392822 QCNYPKOTADMOIS-AWEZNQCLSA-N 305.378 1.110 0 40 DDAB COc1cc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)ncn1 85333105 QTNBKGIHRIZXIZ-NSHDSACASA-N 308.382 1.979 0 40 DDAB COCc1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1 426901820 XOUABSGLLSOPLI-UHFFFAOYSA-N 320.300 1.315 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)Nc1ccc2c(c1)OCCO2 225648520 BLGCJDWBHZGZLL-UHFFFAOYSA-N 316.313 1.417 0 40 DDAB Cc1nc(-c2ccc(CNC(=O)[C@H](C)NC(N)=O)cc2)cs1 44874508 ZEGPIVMMPVGQHU-VIFPVBQESA-N 318.402 1.792 0 40 DDAB O=C(NCCc1ccccc1)C1CCC(Cn2cnnn2)CC1 40266475 FWHBONQKFBSQES-UHFFFAOYSA-N 313.405 1.838 0 40 DDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCCC1 96057917 FRPNLPPURCUDOP-RRFJBIMHSA-N 317.451 1.775 0 40 DDAB Cc1cnc(C)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 195563944 PHGQPQFTYBZNNH-AWEZNQCLSA-N 303.410 1.012 0 40 DDAB c1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)nc1 96040616 OCCVTXKGTZZNRR-JQHSSLGASA-N 317.433 1.393 0 40 DDAB CCc1ccc([C@@H](COC)NC(=O)c2ccc(=O)n(C)n2)o1 96423285 QPCDACNYXLLNFP-GFCCVEGCSA-N 305.334 1.053 0 40 DDAB CC[C@H](C(=O)NCC[S@](=O)c1ccccc1)N1CCCC1=O 96436474 JQQHWOWMFCHJHF-JLCFBVMHSA-N 322.430 1.311 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)CCc1ccccc1 97375768 GACLDYAMRBHNQM-GJZGRUSLSA-N 302.374 1.797 0 40 DDAB O=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200445 QEMGNKTWHFSNKX-IRXDYDNUSA-N 314.360 1.968 0 40 DDAB COCC(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C)s3)C2)C1 96050889 LFEOPVLJYMUENW-OAHLLOKOSA-N 308.403 1.658 0 40 DDAB CS(=O)(=O)[C@](Cl)(I)[C@H](O)C1CC1 96520058 GXDJWTBCNJZJKG-PHDIDXHHSA-N 324.567 1.130 0 40 DDAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cn[nH]n1 96417216 CDGIPYBCRDHFJL-JTQLQIEISA-N 305.313 1.787 0 40 DDAB Cc1noc([C@@H]2CN(Cc3ccccn3)Cc3ccnn3C2)n1 96188853 BKQYUKFGXQUTBX-CYBMUJFWSA-N 310.361 1.769 0 40 DDAB O=C(NC1CC1)N1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 96246071 DPXHRSZYKAPBQT-JOYOIKCWSA-N 306.391 1.161 0 40 DDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@@H]21 96043423 TUBVKTQIKVCNBY-BZUAXINKSA-N 322.405 1.269 0 40 DDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccn1 96056477 TWTAANOBILOVQH-HZPDHXFCSA-N 302.422 1.209 0 40 DDAB CN1CC[C@@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)C[C@H]12 96251825 AJGZEHZHXBTMOY-IRXDYDNUSA-N 320.458 1.826 0 40 DDAB CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1ccccc1C)C2 248041802 VELFLFSRYUNWTA-ZDUSSCGKSA-N 311.403 1.564 0 40 DDAB Cn1ccnc1[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1 536068107 QKEHZTXZHVWJDS-CABCVRRESA-N 301.390 1.649 0 40 DDAB CO[C@H](C)CN(C)C(=O)c1ccc(-n2nc(C)cc2C)nc1 257234579 GUFMWBUHSRMRTN-CYBMUJFWSA-N 302.378 1.991 0 40 DDAB CNC(=O)c1cnn2c([C@H]3CCCN(C(C)C)C3)ccnc12 257232039 GJEHBPXTSYHHEK-LBPRGKRZSA-N 301.394 1.677 0 40 DDAB Cc1cccc(CN2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257216638 CVMAHUNFPNSCLN-LBPRGKRZSA-N 320.418 1.506 0 40 DDAB CNc1cccc([C@@H]2CN(Cc3cnn(C)c3C)CCO2)n1 257313345 URZKRWSFVACYFV-HNNXBMFYSA-N 301.394 1.739 0 40 DDAB CO[C@@H]1CN[C@@H](C(=O)NCCSCc2ccc(C)cc2)C1 252500893 TYFLFCUQZROYJA-LSDHHAIUSA-N 308.447 1.721 0 40 DDAB Cn1ccnc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257215734 CRKJUNDFFNVXQL-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB Cc1nc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)co1 257271654 MZFONYBNZDISAZ-CYBMUJFWSA-N 316.361 1.555 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257321625 WCKOZBFLNOXVRM-HNNXBMFYSA-N 300.362 1.577 0 40 DDAB CN(C)S(=O)(=O)NCc1cccc(Oc2ccccn2)c1 96104549 IPMROWDKRQKAHP-UHFFFAOYSA-N 307.375 1.770 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)N2Cc3cncnc3C2)c1 96366478 WIYWENXDTYMCGC-UHFFFAOYSA-N 321.358 1.198 0 40 DDAB OCc1cc2c(cc1-c1cnn(C3CCNCC3)c1)OCCO2 585124238 NIQICDGTVIQMCD-UHFFFAOYSA-N 315.373 1.738 0 40 DDAB O=C(OCc1ccccc1)N1CCOCCNCCOCC1 584906330 LIBOECQHOMCTFI-UHFFFAOYSA-N 308.378 1.262 0 40 DDAB CC(C)(C(=O)Cn1cnc2c(c1=O)COCC2)c1ccccc1 585089178 ZXGFEZPSMIPZCK-UHFFFAOYSA-N 312.369 1.863 0 40 DDAB O=C1OCC[C@@H]1N1CCN(CCOc2ccccc2Cl)CC1 65587802 BHCNZKNWCCWFPB-AWEZNQCLSA-N 324.808 1.652 0 40 DDAB Cc1ccc(OCC2CCN(C(=O)[C@H]3CCOC3)CC2)nn1 1776000448 DJKRODZZJZNBHP-AWEZNQCLSA-N 305.378 1.439 0 40 DDAB COc1cc(CNCCc2cnn(C)c2)cc2c1OCCO2 48784513 ZJHWBPUTPMTLIA-UHFFFAOYSA-N 303.362 1.532 0 40 DDAB COCC[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)O 52784890 GNZDETSNUWUXAM-JQWIXIFHSA-N 313.737 1.249 0 40 DDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCO[C@@H](CO)C1 78936201 DFTGPZJWRKUAEW-TZMCWYRMSA-N 306.362 1.140 0 40 DDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)C1CCC1 85467742 BNAXUMKEGOYQQF-OAHLLOKOSA-N 319.380 1.678 0 40 DDAB O=C(CNC(=O)c1cccc(F)c1)Nc1ccc2[nH]nnc2c1 89774702 DLSSOKINSKBRMM-UHFFFAOYSA-N 313.292 1.466 0 40 DDAB CCn1nc(C)c(CNc2cnc(OC)c(C(N)=O)c2)c1C 95992383 DZFFJFGOXNCKHM-UHFFFAOYSA-N 303.366 1.634 0 40 DDAB CCN(C[C@@H]1CN(c2nccs2)CCO1)c1cccnn1 1548449051 UQUDOHKDWQLRSS-GFCCVEGCSA-N 305.407 1.665 0 40 DDAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)N1CCCC1 7099711 JNMSPAFLNHHRJW-XFXZXTDPSA-N 317.370 1.740 0 40 DDAB COc1ccc(-c2ccnc(SCC(=O)NCCO)n2)cc1 5917820 BDEMPDYPMMIJPK-UHFFFAOYSA-N 319.386 1.353 0 40 DDAB O=C(CCc1ccco1)NCCc1nc(-c2cccnc2)n[nH]1 12338308 IGKKGRXHFQWPSO-UHFFFAOYSA-N 311.345 1.751 0 40 DDAB CNS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)O)c1 13276986 VXYQNULVKFCLHH-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB O=C(O)C1CCN([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 18063706 DLZBMLGPMJCWDL-ZDUSSCGKSA-N 320.320 1.254 0 40 DDAB Cc1[nH]c2ccc(C(=O)N3CC[C@](O)(CN(C)C)C3)cc2c1C 607854328 RQUSWTIETHLAPO-SFHVURJKSA-N 315.417 1.923 0 40 DDAB CCOC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987791 UZXGPBYUDUFICQ-JTQLQIEISA-N 306.318 1.514 0 40 DDAB CCOC(=O)[C@H](C)Sc1nnc2[nH]c(=O)c3c(n12)CCCC3 9520570 RLIFZGXUYQBJSD-QMMMGPOBSA-N 322.390 1.340 0 40 DDAB COc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H](C(C)(C)O)C2 14421726 ATDBDSBKYKMRGZ-CYBMUJFWSA-N 306.314 1.368 0 40 DDAB biogenic CCCN(CCO)C[C@@H](O)COc1ccc(NC(C)=O)cc1 30529617 DIYQVBFMZAYQNO-OAHLLOKOSA-N 310.394 1.089 0 40 DDAB Cc1sc2ncnc(NNC(=S)NCCN(C)C)c2c1C 3332292 IABOBZUROSIRRF-UHFFFAOYSA-N 324.479 1.661 0 40 DDAB O=C(NCCCN1CCCC1=O)c1cc(Br)c[nH]1 22626455 GNPGBDZCUDHDNN-UHFFFAOYSA-N 314.183 1.520 0 40 DDAB COc1ccccc1CN(C)C(=O)COC(=O)c1cccn1C 4956474 UCBJJOWBWRQVFP-UHFFFAOYSA-N 316.357 1.849 0 40 DDAB COc1cc(N2CCC(COc3cnccn3)CC2)ncn1 1889102948 JXCXSVWTJICHOG-UHFFFAOYSA-N 301.350 1.571 0 40 DDAB Fc1ccc(OC[C@H]2CCN(c3ccc4nncn4n3)C2)nc1 1889139424 PXONMVWEOFOVNC-NSHDSACASA-N 314.324 1.564 0 40 DDAB CCn1cc(Br)c(C(=O)N[C@H](C)[C@@H]2CCCO2)n1 2780174 MJLIPICISIKLCW-SCZZXKLOSA-N 316.199 1.963 0 40 DDAB COC(=O)C1CN(C(=O)c2cccnc2O[C@H]2CCSC2)C1 253395147 BQAMTNYQTGUIAW-NSHDSACASA-N 322.386 1.211 0 40 DDAB O=C(N1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1)C1(F)CC1 1565545530 IDXSEIAKDZMEGK-DZGCQCFKSA-N 323.368 1.019 0 40 DDAB COC1(CC(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)CCC1 1565545393 HOUBLBRJEFUGRM-CVEARBPZSA-N 324.465 1.903 0 40 DDAB C[C@@]1(C(=O)N2CCc3nc(C(N)=O)sc3CC2)CC=CCC1 1565554277 MSOBBENEKZQWKL-MRXNPFEDSA-N 319.430 1.916 0 40 DDAB CCN=c1nc(N2CCN(CC3(O)CCCCC3)CC2)cc[nH]1 2298188605 WBQWUGPUMVWRGZ-UHFFFAOYSA-N 319.453 1.148 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)CC1CC1 36885621 ZMNQABGSKBVVTE-UHFFFAOYSA-N 313.375 1.489 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 100617341 YJFRWKBHTHRBMP-VTPLQMEGSA-N 319.313 1.297 0 40 DDAB CCN(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40501382 RQAMRAMGQBKMQC-UHFFFAOYSA-N 316.405 1.649 0 40 DDAB CS[C@H](C)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 40525042 WAVCKVHNNULMQT-CYBMUJFWSA-N 318.446 1.730 0 40 DDAB CCOc1ccc(-n2nc(CO)c(C(=O)NC3CC3)n2)cc1 20869404 GMKHTRSFLGSNBP-UHFFFAOYSA-N 302.334 1.051 0 40 DDAB Cc1cccc2c(=O)n(CC(=O)NCC[C@@H]3CCCO3)cnc12 32754827 WKWLFDLIBNRAHC-ZDUSSCGKSA-N 315.373 1.390 0 40 DDAB Cc1nc2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2nc1C 52894583 CYCFYVRTZVPCRX-CYBMUJFWSA-N 312.373 1.584 0 40 DDAB Cc1oc(C)c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1C 42071279 YVUNKDCUZXXEIK-LBPRGKRZSA-N 314.407 1.359 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 33209092 GFHFFUBZYIDTRW-SNVBAGLBSA-N 314.341 1.848 0 40 DDAB NC(=O)COc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 22527895 OYWXGOCFLLSUEK-UHFFFAOYSA-N 314.297 1.532 0 40 DDAB COCCN(CC(=O)N(C)C)C[C@@H](O)c1ccccc1Cl 42153091 GDYGDVUQNDCHCW-CQSZACIVSA-N 314.813 1.410 0 40 DDAB COC(=O)c1ccccc1SCCN1C(=O)NC(C)(C)C1=O 42177094 CEMWMVYKTZMVAJ-UHFFFAOYSA-N 322.386 1.896 0 40 DDAB Cc1cccc(NC(=O)COc2cccc(-n3cnnn3)c2)c1 882971 AOCDCIUCKNJLAV-UHFFFAOYSA-N 309.329 1.988 0 40 DDAB O=C(Nc1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1)c1ccccc1 42784 YGZQYMMFALYKCO-JSGCOSHPSA-N 315.329 1.166 0 40 DDAB C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C1CC1)C(=O)N(C)C 76952006 FAVHQPQARRYYRD-WFASDCNBSA-N 303.406 1.784 0 40 DDAB CCOC(=O)COc1ccc(Oc2nc(C)cc(OC)n2)nn1 173661 ZXXRZBLBCWQDTF-UHFFFAOYSA-N 320.305 1.318 0 40 DDAB Cc1sc2ncc(C(=O)Nc3cnn(C)c3)c(=O)n2c1C 61719163 NYZXXOTYZPJQOJ-UHFFFAOYSA-N 303.347 1.359 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 79019019 IEFPFUSOIDNDHS-ZDUSSCGKSA-N 321.402 1.322 0 40 DDAB COc1ccc(N(CN2C(=O)CC[C@@H]2C(=O)O)C(C)=O)cc1 1650035 GOVRLRGPOPNZQN-CYBMUJFWSA-N 306.318 1.081 0 40 DDAB c1cn(-c2cc(N[C@@H]3CCO[C@]4(CCOC4)C3)ncn2)cn1 95458034 QFSOJHGCZZDYHQ-IUODEOHRSA-N 301.350 1.412 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1 24475332 LSJZANMOXQSAIO-UHFFFAOYSA-N 308.403 1.513 0 40 DDAB NS(=O)(=O)C(F)(F)C(=O)Nc1cccc2ccccc12 6829899 AGPRHXCROPVITA-UHFFFAOYSA-N 300.286 1.660 0 40 DDAB CCNC(=O)COc1ccc(NC(=O)C2CCOCC2)cc1 25650636 YTXNTVPJNUCMDF-UHFFFAOYSA-N 306.362 1.567 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C(=O)O)C1 43701425 RUDBRVUIELGVMU-CABZTGNLSA-N 313.737 1.419 0 40 DDAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](n2cncn2)C1 72293511 CROAOMRLUYFBCB-DZGCQCFKSA-N 316.336 1.584 0 40 DDAB COC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 57452431 WNCPCNZMNSOZJS-MRXNPFEDSA-N 316.401 1.891 0 40 DDAB CC(C)NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 27025634 POPKZCBIDSNQTG-UHFFFAOYSA-N 309.391 1.106 0 40 DDAB O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@H]1c1ccco1 109059662 LQTHFDDNWXDLSC-MNOVXSKESA-N 318.402 1.957 0 40 DDAB COc1ccc([C@@H](C)NS(=O)(=O)N2CCOCC2)cc1F 44896212 QSJYGMQAMYKLMP-SNVBAGLBSA-N 318.370 1.062 0 40 DDAB NS(=O)(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 58343791 AIIZPWMRNXUYLQ-GFCCVEGCSA-N 303.815 1.270 0 40 DDAB COc1ccc(S[C@H](C)C(=O)NC[C@H]2CN(C)CCO2)cc1 58341749 WCPLGZXTARMPOC-OCCSQVGLSA-N 324.446 1.623 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1cccc2ncccc12 58323303 HGBUMRQOGXXDBI-UHFFFAOYSA-N 321.402 1.382 0 40 DDAB CN(C)[C@H](CNC[C@H]1CNc2ccnn2C1)c1cccc(F)c1 58315935 MHRMWCUGWIIDQJ-XJKSGUPXSA-N 317.412 1.956 0 40 DDAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(S(C)(=O)=O)cc1 10968146 SSEPXTUPFYULQI-SNVBAGLBSA-N 320.370 1.269 0 40 DDAB Cc1noc(C)c1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 3378949 RKZPUGROKURAOV-SMDDNHRTSA-N 310.375 1.789 0 40 DDAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](C)N2 2408797 GFVGPYKCRJWINW-CMPLNLGQSA-N 301.350 1.657 0 40 DDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1ccco1 3359560 AZNKQSMVPIWDJQ-UHFFFAOYSA-N 302.117 1.460 0 40 DDAB CSc1ccc(CN(C)CN2C(=O)C(=O)N(C)C2=O)cc1 12864096 YFFUSLZKKJFWPU-UHFFFAOYSA-N 307.375 1.218 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(F)c1 60359764 ITXHOGUFFOFYPJ-HNNXBMFYSA-N 321.396 1.498 0 40 DDAB Cc1cc(=O)n2nc(NCCCN3CCCCC3)sc2n1 12818030 PHCCPPDGXYEUED-UHFFFAOYSA-N 307.423 1.747 0 40 DDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 12863791 ROLKPLJIYRQHNY-BRXULGCHSA-N 301.298 1.066 0 40 DDAB biogenic,in-vitro COC(=O)CC1(CS(=O)(=O)NCc2ccccc2F)CC1 72313140 SGNDUPGSCFUHHK-UHFFFAOYSA-N 315.366 1.588 0 40 DDAB CCc1nc(NC(=O)CN2CCn3ccnc3C2)sc1C 97201588 VJCQOGBAQZGAKF-UHFFFAOYSA-N 305.407 1.665 0 40 DDAB CCOC(=O)CS(=O)(=O)c1nc2ccccc2nc1Cl 13362949 AWFQSTVRDWBJHQ-UHFFFAOYSA-N 314.750 1.620 0 40 DDAB CCCCS(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 96000654 BREZXMAWILBWEJ-NSHDSACASA-N 300.428 1.436 0 40 DDAB Cn1c(CNC(=O)NCc2ccccc2)nc2ccccc2c1=O 96013222 VNHQOIJIAWWBBU-UHFFFAOYSA-N 322.368 1.933 0 40 DDAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1nc(=O)[nH][nH]1 96011063 QUDNNROLZAIWSH-UHFFFAOYSA-N 320.312 1.689 0 40 DDAB NC(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 5100656 DYALNWVMVKSPGT-JTQLQIEISA-N 317.374 1.371 0 40 DDAB aggregator CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 65459577 ZWQUQQVVGOVQCC-UHFFFAOYSA-N 303.362 1.357 0 40 DDAB COCCCS(=O)(=O)N(C)CCOc1ccccc1C 65494590 DQYRNKUPKUHMMV-UHFFFAOYSA-N 301.408 1.672 0 40 DDAB CCCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)no1 65409064 HVVNIEYISPDSKS-SNVBAGLBSA-N 320.393 1.384 0 40 DDAB CCOCCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 65495985 HXKLBIAWXJUYEO-UHFFFAOYSA-N 300.399 1.929 0 40 DDAB Cc1cc(N2CCC(N(C)C(=O)[C@H]3CCCO3)CC2)nc(C)n1 65625738 YDLIQRUAMFMPPI-OAHLLOKOSA-N 318.421 1.700 0 40 DDAB CC(=O)NCCNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 14391174 BWSZHKFLYAYSRU-RMKNXTFCSA-N 315.373 1.079 0 40 DDAB COC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 71794479 SSZGSDNVQBWQHP-UHFFFAOYSA-N 300.362 1.577 0 40 DDAB Cc1noc(C)c1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 71799542 NPPQQDZQBIKZLD-GFCCVEGCSA-N 322.365 1.147 0 40 DDAB Cn1cnn(CC(=O)N(c2cccc(F)c2)C2CCCC2)c1=O 96499795 XBLMQNSEYKXCNN-UHFFFAOYSA-N 318.352 1.697 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)C2CC2)c1C 7482554 OIFSRJCZRHGAPQ-SECBINFHSA-N 306.362 1.906 0 40 DDAB CNC(=O)C1(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)CC1 81194126 SGDOLKXFFSYRFD-CHWSQXEVSA-N 301.390 1.296 0 40 DDAB CC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)c1c(C)nn(C)c1C 81261894 YTSFNRKIDJGCCC-KBPBESRZSA-N 320.437 1.861 0 40 DDAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 71830780 FEKFAXNWSPROAJ-IIAWOOMASA-N 317.433 1.863 0 40 DDAB C[C@H](C(=O)NCc1ccco1)N1CCn2c(nnc2C2CC2)C1 71880905 FWOOUCDRFCOKFB-LLVKDONJSA-N 315.377 1.269 0 40 DDAB C[C@@H](Cc1ccc(Cl)cc1)N(C)CCNS(C)(=O)=O 71914919 CTTBUKDYEULOMA-NSHDSACASA-N 304.843 1.752 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2 17636506 HQVZNYFUFVFXHP-LLVKDONJSA-N 313.444 1.934 0 40 DDAB CCCNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 69841624 UPAARWSRWCTSCD-UHFFFAOYSA-N 300.380 1.642 0 40 DDAB COc1ccc(C(=O)Nc2nc3[nH]c(C)c(C)c(=O)n3n2)cc1 18221958 YZBFMRLPNJDINV-UHFFFAOYSA-N 313.317 1.295 0 40 DDAB O=S(=O)(NCc1ccccc1CO)c1cncc(Cl)c1 95437290 MWMHHKUBZOIITL-UHFFFAOYSA-N 312.778 1.706 0 40 DDAB Cc1cccc2nc(C[S@](=O)CC(=O)NC(C)(C)C)cn12 97083703 RCSDRMMQYJDLFQ-OAQYLSRUSA-N 307.419 1.806 0 40 DDAB O=C(c1cncc(F)c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 97032063 FVZHGYGZHHVLJO-NHYWBVRUSA-N 317.364 1.836 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 72235011 MPUPDJQDFSIZEU-SMDDNHRTSA-N 316.409 1.596 0 40 DDAB Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F 72269132 PTCAYTNLFNUEDV-CVEARBPZSA-N 306.381 1.805 0 40 DDAB CCOC(=O)CCN1CCC(NC[C@](C)(CC)[C@H](C)O)CC1 95986493 OTQWNYDLXGUBQW-YOEHRIQHSA-N 314.470 1.791 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834836 VDXVNRZEXUGPQY-HNNXBMFYSA-N 311.341 1.448 0 40 DDAB O=C(NCCS(=O)(=O)NCC1CCC1)C1CCCCCC1 89818858 IPZVYXVAMFGEHJ-UHFFFAOYSA-N 316.467 1.793 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2cccs2)C1 76019342 OBOUFMLINILNFG-ZYHUDNBSSA-N 301.433 1.763 0 40 DDAB CN(C)c1cccc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1 76467956 TUQROAJCIOAENE-OAHLLOKOSA-N 317.433 1.547 0 40 DDAB CCc1cc(NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)no1 1553071388 LBHQUIXIRAFADW-NSHDSACASA-N 309.366 1.775 0 40 DDAB Cc1noc(CNCc2cc3cccc4c3n(c2=O)CCC4)n1 72206566 STMLPGYKXLIWER-UHFFFAOYSA-N 310.357 1.929 0 40 DDAB Cc1cc2c(cnc3nc(-c4cccnc4)nn32)c(=O)n1N(C)C 38784027 SRDABGPDBPTOJE-UHFFFAOYSA-N 321.344 1.007 0 40 DDAB Cc1ccc(N2CCN(CC(=O)N3CCCCCC3)CC2)nn1 605433103 QRVMUNSCGGFLDC-UHFFFAOYSA-N 317.437 1.310 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N2CCC=C(c3cccnc3)C2)C1 552273356 FYQFTJMUNSFGPF-KRWDZBQOSA-N 313.401 1.956 0 40 DDAB CN(C(=O)Cn1cccn1)[C@@H]1CCN(c2ccccc2F)C1=O 79002146 SGOZKJFLCNJTDF-CQSZACIVSA-N 316.336 1.286 0 40 DDAB N[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218161984 QDGHABKKIPLKIS-OAGGEKHMSA-N 317.366 1.682 0 40 DDAB CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 79391419 ZAXKZLCOLIOWBP-STQMWFEESA-N 313.442 1.828 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc(C)no2)cc1 129729251 RITALHCZECQIQF-LBPRGKRZSA-N 322.386 1.884 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H]2SC3=NCCN3C2=O)c1 36635294 ZAJYZECCNUORHF-LBPRGKRZSA-N 303.387 1.946 0 40 DDAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2CCO)n1 72382629 WXTUMLNKALGSMY-CQSZACIVSA-N 314.393 1.838 0 40 DDAB Cc1cc(N2CCCC2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72364661 VCDMWUIWXNZGSN-LBPRGKRZSA-N 310.423 1.482 0 40 DDAB CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)CN 79409421 XBCZCPFWDWBVTK-QWHCGFSZSA-N 311.426 1.772 0 40 DDAB O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 85469443 MXODVHXVYFNMJA-HOSYDEDBSA-N 319.279 1.447 0 40 DDAB Cc1noc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69700106 CYRWORNUSXIUAE-GFCCVEGCSA-N 318.381 1.393 0 40 DDAB CC(C)c1nn(C)c(N2CCOCC2)c1CNc1cnccn1 192152331 GMRMABLCWODZOY-UHFFFAOYSA-N 316.409 1.782 0 40 DDAB O=C1[C@@H](Nc2ncnc3c(F)cccc23)CCCN1CCO 225486723 FAXDJXDVQSZFCO-LBPRGKRZSA-N 304.325 1.164 0 40 DDAB CCS(=O)(=O)c1ccccc1N(C)CCN1CCCC1=O 225518866 HUWLCCOCIZGBFU-UHFFFAOYSA-N 310.419 1.539 0 40 DDAB Cc1nc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cs1 41546393 ASVAJKJTISTAPM-OAHLLOKOSA-N 317.370 1.858 0 40 DDAB COCCN1CCN(Cc2nccn2CC(F)(F)F)C[C@H]1C 69706956 MDRKLKVFHKZGPF-GFCCVEGCSA-N 320.359 1.598 0 40 DDAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3c(C)n[nH]c3C)C2)nn1 225464592 CGALGIKOYXLVSQ-CYBMUJFWSA-N 315.377 1.809 0 40 DDAB COc1ccc(CCNc2cc(CC(=O)O)ncn2)cc1OC 225010165 GDHNTMZQJHMMGK-UHFFFAOYSA-N 317.345 1.776 0 40 DDAB C[C@H](C(=O)N(C)CC(=O)N(C)c1ccccc1F)n1cccn1 69847434 MIAZIIAELLFKQM-GFCCVEGCSA-N 318.352 1.705 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)CC1 69895043 DCXBHGPJKDPYDS-ZIAGYGMSSA-N 308.397 1.529 0 40 DDAB C[C@H](C(=O)NCc1ccccn1)n1nnc2ccccc2c1=O 44225917 KBVFQYAVZGXWEN-LLVKDONJSA-N 309.329 1.064 0 40 DDAB c1cnc(N[C@@H]2CO[C@@]3(CCN(CC4CCOCC4)C3)C2)nc1 96047755 JIVXQNRSGGPCQW-RDJZCZTQSA-N 318.421 1.549 0 40 DDAB CC(C)N(C)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]12 96185410 JIGXEKOMMNTAAQ-YQQAZPJKSA-N 317.433 1.899 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1noc3c1CCCC3)C2 97198470 DETWTGFBLSKVEA-LLVKDONJSA-N 300.362 1.803 0 40 DDAB COc1ccccc1NCC(=O)NCCc1c(C)nn(C)c1C 96405888 JBVDKBFEVGJONP-UHFFFAOYSA-N 316.405 1.816 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 96043145 DWNQGTTXCGSURF-MJBXVCDLSA-N 321.446 1.649 0 40 DDAB COC[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1Cl 96424639 KFYKXQNQQKATGL-QWRGUYRKSA-N 300.786 1.606 0 40 DDAB c1cnc(N2CCN(CCCN[C@@H]3CCCSC3)CC2)nc1 97370963 NOVFONWWTPDSEW-OAHLLOKOSA-N 321.494 1.474 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC2(CCN(c3ncccn3)CC2)C1 96157698 ODEZWRRCLLWQHU-AWEZNQCLSA-N 316.405 1.475 0 40 DDAB CC[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CCS1 93502275 FXEQVMKNFULJKC-OAHLLOKOSA-N 321.494 1.556 0 40 DDAB COCCCNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1C 96037553 DZLQXRYWYWZTJD-UHFFFAOYSA-N 317.393 1.314 0 40 DDAB O=C1[C@H]2CN(c3cnccn3)C[C@H]2CCN1Cc1ccncc1 96249100 HTSHDNVAJLSBIN-CABCVRRESA-N 309.373 1.357 0 40 DDAB Cc1cccc(C(=O)N2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)n1 96054008 DCOMXUGDWYWVKB-ZIAGYGMSSA-N 309.373 1.388 0 40 DDAB O=S(=O)(C1CC1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042142 JBXDCOFWWGBFDV-SOUVJXGZSA-N 324.402 1.184 0 40 DDAB CN(C)CCn1c2c(ccc1=O)C[C@@H](NCc1ccco1)CC2 96189626 IMWJLHMAWLSAMD-HNNXBMFYSA-N 315.417 1.650 0 40 DDAB COCCCN1C[C@@]2(CCCCN2C(=O)c2ccoc2)CC1=O 96217379 NBDXBNLKPQMVRX-QGZVFWFLSA-N 320.389 1.913 0 40 DDAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2CC1CC1)c1cnccn1 247467283 DBAWANKCMMSDPU-IMJJTQAJSA-N 316.405 1.096 0 40 DDAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2ccncc2)C3)nc1 247833841 MNYXMCSYQDHIBF-OAHLLOKOSA-N 312.373 1.684 0 40 DDAB CC(C)(C(=O)N1CCC[C@@H](c2nccs2)C1)n1cncn1 257277842 NZSQRXHRENNEBI-LLVKDONJSA-N 305.407 1.876 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2cnn(C)c2)n1 257245842 IRHHQFSSXFHKKX-OAHLLOKOSA-N 314.393 1.183 0 40 DDAB CN1CCN(S(=O)(=O)c2cccnc2)C[C@H]1c1ccccc1 257201005 AFTOBYGGAYQUMK-INIZCTEOSA-N 317.414 1.759 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257232815 GMOBEJKSUQGZFY-IVMMDQJWSA-N 310.357 1.801 0 40 DDAB Cn1cc(CN2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)cn1 257303572 SHSZONJTAVICJX-RDJZCZTQSA-N 319.380 1.964 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccsc2)CCO1 257202498 AMDBFZZHAGZFBO-LBPRGKRZSA-N 318.402 1.722 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1Cc1cccc(C(=O)O)c1 257208251 BLIJILUNCGFOET-AWEZNQCLSA-N 301.346 1.990 0 40 DDAB Cc1cncc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)c1 585261609 UFVJKKFRRVDEHR-NUEKZKHPSA-N 323.400 2.143 0 40 DDAB CN1C(=O)c2cccn2[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]21 585109864 CLEUCUYJVDJSLI-CHWSQXEVSA-N 314.320 1.174 0 40 DDAB NC(=O)CCN[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585289321 HXYKBAVRSLFNMQ-GZBFAFLISA-N 312.797 1.466 0 40 DDAB CNC(=O)[C@@H]1CCC[C@H]1Nc1noc(Cc2ccc(F)cc2)n1 585142305 SQMPXVYNHBNPGV-CHWSQXEVSA-N 318.352 2.126 0 40 DDAB CCOc1cccnc1N1CCN(c2ncc(F)cn2)CC1 1548522896 FXKSMJHBEWXTHJ-UHFFFAOYSA-N 303.341 1.736 0 40 DDAB O=C(CCC(=O)c1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1 75158402 IXYSWUCMSOSYBD-ZDUSSCGKSA-N 300.358 1.529 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1CN(C)CCO1 81385541 YLERCMAYKLFWJC-WBVHZDCISA-N 317.433 1.050 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1ccccc1Br 88374960 LJXGTOQKQGLJIC-JTQLQIEISA-N 314.135 1.375 0 40 DDAB CCCCn1nc2n(c1=O)C(=O)N(c1ccc(OC)cc1)C2 1547201182 OAGNFMUKQVFRHW-UHFFFAOYSA-N 302.334 1.842 0 40 DDAB O=C(COc1ccccc1)N[C@H]1CC(=O)N(c2ccccc2)C1 5193314 HQWFIQZEFSQADS-AWEZNQCLSA-N 310.353 1.987 0 40 DDAB CC(=O)O[C@@H]1C[C@H](COC(=O)c2ccccc2)O[C@@H]1OC(C)=O 13436396 DPLPHOLDKAGPOZ-FMKPAKJESA-N 322.313 1.453 0 40 DDAB Cc1nccn1CCCNS(=O)(=O)c1ccc2c(c1)OCO2 19288168 KWHAUXIQCISLGH-UHFFFAOYSA-N 323.374 1.289 0 40 DDAB Cc1cccn2c(O)c(C(=O)NCc3cccnc3)c(=O)nc12 164571270 BDVBRKSDPLZORF-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB Cc1noc([C@H]2C[C@H](F)CN2c2ncnc3c2cnn3C)n1 585146121 KSLYYFJDADIVRD-WCBMZHEXSA-N 303.301 1.344 0 40 DDAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC(N)=O)cc1 5262957 ISFHXAVAEOAEJX-VIFPVBQESA-N 320.374 1.556 0 40 DDAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)[C@H]1CCOC1 1888834356 PNJZRELGHAEFRJ-VIFPVBQESA-N 315.295 1.442 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889096345 QWTAILOTSBDWDA-CQSZACIVSA-N 320.462 1.885 0 40 DDAB Cc1cc(C(=O)N2CC3(C[C@H](N4CCCC4)CS3)C2)n(C)n1 2056224726 RQRZHHAPMFZVFZ-ZDUSSCGKSA-N 320.462 1.524 0 40 DDAB CC(C)C(=O)N1CCC2(CN(C(=O)CCc3cncnc3)C2)C1 1019187646 FYOMXQIHDJTAFO-UHFFFAOYSA-N 316.405 1.126 0 40 DDAB CN1Cc2nccn2C[C@@]12CCN(C(=O)CCc1ccc[nH]1)C2 1565555829 QLLZWDJUNXEEOI-QGZVFWFLSA-N 313.405 1.261 0 40 DDAB O=C(NCc1cccnc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4272552 IDTDXYNRAIRHJF-CQSZACIVSA-N 310.357 1.686 0 40 DDAB NC(=O)CN1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2086869129 WCQROZYBDGFIRR-GXSJLCMTSA-N 314.311 1.096 0 40 DDAB Cc1cc2ncc(NC(=O)Cn3c(=O)oc4ccccc43)cn2n1 206737940 BDUSDKVTOZNKOO-UHFFFAOYSA-N 323.312 1.584 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)CSC2=O)C1 206954691 YLOIAGRDLUULGD-UHFFFAOYSA-N 308.334 1.274 0 40 DDAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 488770 KEYVVBUHVHXCLC-VWPFQQQWSA-N 317.341 1.513 0 40 DDAB CCCCN(C)C(=O)c1cnn(-c2ccc(O)nn2)c1CC 30583683 UAPZELBWURPANC-UHFFFAOYSA-N 303.366 1.802 0 40 DDAB NC[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 50246793 WWAKUIOPEZMGJO-VIFPVBQESA-N 324.324 1.555 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1 30850538 DSDBXBVHDMCCMS-CYBMUJFWSA-N 315.373 1.342 0 40 DDAB CCc1[nH]c(C(=O)/N=c2/sccn2C)c(C)c1C(=O)OC 30991540 KUKAKQZYMZCADN-JQIJEIRASA-N 307.375 1.813 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)NC2CCCCC2)s1 40461269 PXABSYXTJBJEOJ-UHFFFAOYSA-N 316.448 1.995 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H](O)c1ccc(F)cc1 40542352 HYVGFYVVNMBEPP-AWEZNQCLSA-N 306.341 1.445 0 40 DDAB Cn1ncc(C(=O)Nc2ccccn2)c1C(=O)Nc1ccccn1 20616276 CTZWTSDTFLTYHI-UHFFFAOYSA-N 322.328 1.715 0 40 DDAB CC(=O)N[C@H](C(=O)N(C)CCOc1ccccc1C)C(C)C 32788594 PHGNQVTWRXACIQ-INIZCTEOSA-N 306.406 1.993 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 41243388 LVDUHHMICAWASN-UHFFFAOYSA-N 324.446 1.458 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 22625033 UWRJYTZDZIAECG-ILGUYDGLSA-N 320.389 1.364 0 40 DDAB O=C1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCN1 104203205 AMQUWZZULXHEHT-UHFFFAOYSA-N 319.748 1.496 0 40 DDAB NC(=O)C1CCN(C(=O)c2sccc2Br)CC1 47720753 YTSBRWQXZGVTHC-UHFFFAOYSA-N 317.208 1.848 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1C 77990774 SCIDDXCLTVLCFO-CYBMUJFWSA-N 318.295 1.973 0 40 DDAB Cn1ccs/c1=N\C(=O)c1nn(-c2ccccc2)cc1O 78537972 KJPCWDUHQSPGNZ-PFONDFGASA-N 300.343 1.719 0 40 DDAB CCCC[C@H](NC[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C)C(N)=O 78890597 GMQQHVHJCLZYMM-YCPHGPKFSA-N 322.453 1.748 0 40 DDAB CC1CCN(C(=O)COc2cccc(C(=O)NCCO)c2)CC1 78804899 BDNAJXUTQYDFJS-UHFFFAOYSA-N 320.389 1.046 0 40 DDAB Cc1ccc(OCCCC(=O)N[C@@H]2CCC(=O)NC2)cc1C 78971902 JDMMNWQOFWXDPZ-CQSZACIVSA-N 304.390 1.857 0 40 DDAB CC(C)(C)C(=O)C[C@@H](c1ccccc1)C1C(=O)NC(=O)NC1=O 3122151 WJFVQYKMDCZICA-NSHDSACASA-N 316.357 1.758 0 40 DDAB O=C(/N=c1/ccccn1Cc1ccccc1)c1ccc(=O)[nH]n1 105321630 JGOIVLDZVSRMJI-SDXDJHTJSA-N 306.325 1.361 0 40 DDAB C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1nncn1C 43165136 IHSGOYYCGFTSSU-JQWIXIFHSA-N 301.350 1.699 0 40 DDAB COc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(C)=O 6563666 OJKXBAOOSBNKOH-UHFFFAOYSA-N 314.407 1.978 0 40 DDAB c1coc(CN2CCOC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)c1 107738756 BLHKWOAXPKTBKR-WMZOPIPTSA-N 320.433 1.983 0 40 DDAB O=C(COc1ccc(Br)cc1F)N1CCNCC1 43404102 DFPFRUBYXNTFSK-UHFFFAOYSA-N 317.158 1.399 0 40 DDAB O=C(NCCc1ccc2c(c1)OCO2)c1cnn2cccnc12 43508114 XDLNUKCSNAPKRI-UHFFFAOYSA-N 310.313 1.431 0 40 DDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)C1CCCC1 48076205 QNPBXBHCPGPLFO-UHFFFAOYSA-N 316.405 1.037 0 40 DDAB Cc1c(C(=O)N2CCO[C@H]3CCC[C@@H]32)cnn1-c1ccccn1 56194907 IUGGCFBKHGNALH-GJZGRUSLSA-N 312.373 1.969 0 40 DDAB C[C@H](NC(=O)CN1CCCN(C(N)=O)CC1)[C@H]1C[C@H]2CC[C@H]1C2 108078203 ZQXOFQXMVQZLOE-ZQDZILKHSA-N 322.453 1.014 0 40 DDAB Cn1cc(NC(=O)[C@H]2CSc3ccccc32)cc1C(N)=O 95398602 LEFRINGDOJPDGE-NSHDSACASA-N 301.371 1.952 0 40 DDAB COC(=O)C1(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 108477014 KFKGINVSDIVJME-ZIAGYGMSSA-N 320.364 1.640 0 40 DDAB CCOC(=O)[C@@](NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F 1856267 SZKHGLQOYFICIL-NSHDSACASA-N 323.271 1.743 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)NCc1ccccn1 27062239 VYISVTOCNIXPKI-UHFFFAOYSA-N 308.341 1.498 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)on1 27581202 BBNGEKQYWQCXBY-LLVKDONJSA-N 306.343 1.259 0 40 DDAB CCN1CCN(c2nc(C3CC3)nc3c(C)nn(C)c23)CC1 57356011 PZYDRSJNYIVFTF-UHFFFAOYSA-N 300.410 1.691 0 40 DDAB O=C(CC[C@H]1CCCO1)NCc1cccnc1-n1cccn1 48168457 ZSGYRCRLGUAVES-CQSZACIVSA-N 300.362 1.843 0 40 DDAB CCn1cnnc1CNC(=O)c1csc(-c2cnn(C)c2)n1 58157978 CXKQSNHAPFEOAA-UHFFFAOYSA-N 317.378 1.085 0 40 DDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCc1ccco1 44871885 BOVWOSPKAQESME-UHFFFAOYSA-N 304.346 1.605 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)nc1 48274367 GQXSVUUCDAUXFS-QMMMGPOBSA-N 322.308 1.265 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)NCCN1CCCCCC1=O 44971563 RQBVVISRMOUUQB-UHFFFAOYSA-N 322.409 1.835 0 40 DDAB CN(CC(=O)NC[C@H]1CC=CCC1)c1ncnc2[nH]cnc12 58356599 KGYVESIXVYMDHJ-NSHDSACASA-N 300.366 1.262 0 40 DDAB C[C@@]1(C(=O)NCCCn2ccnc2)Oc2ccccc2NC1=O 36354606 PJTKMEPSXZZGAC-INIZCTEOSA-N 314.345 1.179 0 40 DDAB Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)n(N)c1=O 3345978 AMIMQYJRVXPGBI-UHFFFAOYSA-N 315.358 1.117 0 40 DDAB CC(C)(C)n1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cn1 48363361 MNFFWKOBWWELHH-CYBMUJFWSA-N 300.362 1.595 0 40 DDAB COc1cc(C)c(S(=O)(=O)NCCn2ccnc2)c(C)c1 29229435 UNIQSDPOLBYQDB-UHFFFAOYSA-N 309.391 1.487 0 40 DDAB CCCCc1noc(CN2C(=O)N[C@@]3(CCSC3)C2=O)n1 29352795 YYMOXPUHNHPBPK-CYBMUJFWSA-N 310.379 1.340 0 40 DDAB C[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@@H](C)O1 12810405 LGTFJIIJZFUTJO-CHWSQXEVSA-N 310.419 1.399 0 40 DDAB Cn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 2780997 DXITUKUYTRRDSB-UHFFFAOYSA-N 304.375 1.712 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC[C@@H]3CCC[C@@H]3O)c2n1 95441180 DDSPRPACNFWPNX-KBPBESRZSA-N 320.414 1.983 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cc(Cl)cc(Cl)c1 12896135 MZHDPMYQYJWLPG-UHFFFAOYSA-N 314.128 1.482 0 40 DDAB CN1CCN(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1 23473225 FBHMNKARGKKKLO-UHFFFAOYSA-N 319.493 1.957 0 40 DDAB Nc1nccnc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 3569041 APJZCBNMOVTEKA-UHFFFAOYSA-N 312.329 1.343 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 13170924 WLNRQPUXMYPXPB-BPJJOFIESA-N 317.341 1.794 0 40 DDAB Cc1cccc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 49373174 LSZLEIIDGZJQLP-LBPRGKRZSA-N 313.444 1.733 0 40 DDAB O=C(NCCCNC(=O)c1ccccc1F)c1ccncc1 5015306 NASPOPMATNFGTO-UHFFFAOYSA-N 301.321 1.771 0 40 DDAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCNC(=O)C1 65530475 JYCFIGCIMOTAFG-LBPRGKRZSA-N 315.373 1.384 0 40 DDAB COc1cc2nc(NN)n(-c3ccccn3)c(=O)c2cc1OC 408712686 IAZXHSATXPLCGX-UHFFFAOYSA-N 313.317 1.084 0 40 DDAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccco2)C1=O 65606410 VMOOPRJBXPKPHP-AWEZNQCLSA-N 318.337 1.033 0 40 DDAB C[C@@H]1CCNC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 71413135 AIHDCMKQBPASOH-MWLCHTKSSA-N 322.352 1.982 0 40 DDAB O=C(NCc1cc[nH]n1)N1CCO[C@@H](Cc2ccccc2)C1 95463694 AOKOPPPYFRKNFR-HNNXBMFYSA-N 300.362 1.563 0 40 DDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(O)c2)s1)c1ccco1 6786388 VISQIBWOHBONFV-SFGFDRCGSA-N 313.334 1.227 0 40 DDAB COc1cc(O)nc(S[C@H](C)C(=O)Nc2cc(C)on2)n1 4999499 SVSCZXKRYBFHMG-SSDOTTSWSA-N 310.335 1.607 0 40 DDAB CC(C)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 7099746 WGQGUVUZHNNPRV-UHFFFAOYSA-N 314.288 1.219 0 40 DDAB CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 68577540 TVIPSBXJYXSXAQ-UHFFFAOYSA-N 324.446 1.935 0 40 DDAB O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC(=O)N1CCCC1 91032131 LMGFORINXRVDGB-CYBMUJFWSA-N 310.781 1.502 0 40 DDAB C[C@H](O)[C@H]1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2 70018780 OHJXNYCJHFCMLT-GXTWGEPZSA-N 320.389 1.267 0 40 DDAB COCCN1CCN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C 71864753 WYIUSQKTSRBMKE-INIZCTEOSA-N 319.449 1.298 0 40 DDAB Cn1cc(-c2nc(CN3CCc4cncnc4C3)cs2)cn1 69485997 GHUBQJHVAXDINB-UHFFFAOYSA-N 312.402 1.892 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2nncs2)c1 71875924 HCASKJUMNOFTRK-LLVKDONJSA-N 306.395 1.146 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN2CCCC[C@H]12 69484312 NEAKLDWKGJDMBG-RRFJBIMHSA-N 321.465 1.767 0 40 DDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2cnc[nH]2)CC1 71871701 JPQIGAUOTUJKHJ-UHFFFAOYSA-N 316.409 1.535 0 40 DDAB CCCc1cc(NC[C@@H]2CN(C3CC3)CCO2)n2ncnc2n1 69590185 ICRBXZRQJNKGOS-CQSZACIVSA-N 316.409 1.352 0 40 DDAB CC(=O)N(CCC(=O)NCc1c[nH]nc1C)Cc1ccccc1 69581509 UHCLXTAYQXQVAS-UHFFFAOYSA-N 314.389 1.773 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1ccc3c(c1)OCCO3)CC2 69621247 UZZKVHXUSBBNAJ-ZDUSSCGKSA-N 314.389 1.716 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C1CC1 8502541 XBAJPTGNQNWZRK-PIGZYNQJSA-N 315.373 1.368 0 40 DDAB CC(C)C[C@H](NC(=O)[C@H](C)N(C)C)C(=O)Nc1nccs1 91842705 ZBSGOHBNTCVNIH-QWRGUYRKSA-N 312.439 1.563 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCCNC(C)(C)C)cc1 71921611 IIKGIYJRFGMWJH-UHFFFAOYSA-N 313.423 1.311 0 40 DDAB COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N(C)C)cn1 71921666 ILCYBPXNBMXVJF-UHFFFAOYSA-N 315.782 1.785 0 40 DDAB CN(c1cc(Cl)nc(N)n1)[C@H]1CCN(CC(F)(F)F)C1=O 71900451 USUAETPRRJINNY-LURJTMIESA-N 323.706 1.312 0 40 DDAB CCc1nc(CN2CCC[C@@H](NCc3cc(C)no3)C2)no1 69872093 JGYFRKTYWJWJGC-GFCCVEGCSA-N 305.382 1.683 0 40 DDAB Cc1noc(Cl)c1CC(=O)N1CCN(CC(C)(C)O)CC1 69842179 ACUJTCQWGGBZDC-UHFFFAOYSA-N 315.801 1.094 0 40 DDAB Cc1noc(CCNC(=O)N[C@H]2CCc3ccccc3C2)n1 69929241 VUXWATZHSNFDOT-AWEZNQCLSA-N 300.362 1.777 0 40 DDAB Cc1cnn(CCC(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 69928575 XJBCBBPPNMHNFP-OAHLLOKOSA-N 322.453 1.133 0 40 DDAB CN(Cc1nnc(C2CC2)o1)[C@@H]1CCCN(c2cccnn2)C1 69950652 YKSLXOFNRGZIAB-CYBMUJFWSA-N 314.393 1.838 0 40 DDAB Cn1nnnc1SCc1cc(O)n2c(n1)nc1ccccc12 8742537 XWHKVPUTLXFZRD-UHFFFAOYSA-N 313.346 1.404 0 40 DDAB Cn1cc(C(=O)NCCNC(=O)c2ccn[nH]2)c2ccccc21 97079911 ONZRVKHCNTYDSG-UHFFFAOYSA-N 311.345 1.061 0 40 DDAB Cc1nn(C)cc1C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 97011638 ZKDPRVAJBGKTQS-AWEZNQCLSA-N 320.437 1.492 0 40 DDAB CCC[C@@H]1SCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 72289978 KPAXYKQOPVJIDO-NSHDSACASA-N 322.394 1.489 0 40 DDAB CCn1ccnc1CNC[C@@H]1CCCN1c1cc(NC)ncn1 72276625 XDTUXKIZNGTOLX-ZDUSSCGKSA-N 315.425 1.493 0 40 DDAB O=C(CCN1CCC[C@H]1Cn1cncn1)NC1CCCCC1 72268122 SRILEOKRMIQPPX-HNNXBMFYSA-N 305.426 1.582 0 40 DDAB Cc1ncc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C(C)C)n1 72285178 MWSRVOVGJBBRJE-CYBMUJFWSA-N 314.393 1.977 0 40 DDAB C[C@@H]1CCC[C@@H](CC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 95957919 RWRQTQQNEJJWLM-ZIAGYGMSSA-N 316.467 1.697 0 40 DDAB CCn1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cn1 95969567 HJTNJWAJRDZBQS-ZDUSSCGKSA-N 305.309 1.988 0 40 DDAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN)o3)ccc21 95971669 QTVBIQHZMZLRKW-UHFFFAOYSA-N 300.318 1.181 0 40 DDAB CN(C(=O)NCc1ccncc1)[C@@H]1CCC[C@H]1S(C)(=O)=O 89334817 FHXKMKPPONVPLT-CHWSQXEVSA-N 311.407 1.189 0 40 DDAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCNC(=O)C1 74907420 QCAWAAQWBXKAIP-CQSZACIVSA-N 307.369 1.534 0 40 DDAB O=C(NCC(F)(F)F)N[C@H]1CCN(c2ccccc2F)C1=O 75137535 YAQMVURZRUSPND-VIFPVBQESA-N 319.258 1.793 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)c(Cl)c1 89904661 AKGDRHNUOKCDDP-LDWIPMOCSA-N 302.161 1.852 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 75584897 AZJCIHRPRGPWDH-OAHLLOKOSA-N 317.437 1.390 0 40 DDAB O=C(NCCc1csc(N2CCCC2)n1)NC[C@@H]1CCCO1 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C[C@H](O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646302 RCUGPZMJOZBUMM-LURJTMIESA-N 324.686 1.794 0 40 DDAB CC(C)(C)OC(=O)N1CCC(COc2ccc(=O)[nH]n2)CC1 43830155 YAHXROQEABJSOY-UHFFFAOYSA-N 309.366 1.796 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 63705568 UHSATIIEQHFZGL-SNVBAGLBSA-N 318.343 1.899 0 40 DDAB O=C(N[C@@H]1CCCSC1)N1CCC(O)(C(F)(F)F)CC1 96491906 PSSSREAFMDVFHH-SECBINFHSA-N 312.357 1.981 0 40 DDAB CN1CCC[C@@]2(CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)C2)C1 333830834 LEHYEWQSRNLQAT-SUMWQHHRSA-N 317.437 1.394 0 40 DDAB CC(C)CN(CCN(C)C)C(=O)Nc1cccc(C(N)=O)c1 97395350 QQXBFGRFFJIJQU-UHFFFAOYSA-N 306.410 1.837 0 40 DDAB O=C1CCCCN1CC(=O)N1CCO[C@H](c2ccccc2)C1 97288213 FYGXMRQJVMRSBT-HNNXBMFYSA-N 302.374 1.599 0 40 DDAB CCO[C@@H]1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1 96158752 RETRPOKQCNYTDG-ZDUSSCGKSA-N 305.378 1.585 0 40 DDAB c1coc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)c1 96202029 IQVYHAYNHUVKHP-GOSISDBHSA-N 320.433 1.983 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181903 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COC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 58282259 XESYHICUPJZDRF-NWDGAFQWSA-N 300.399 1.785 0 40 DDAB Cc1occc1C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 55210761 KJFQYEQZRKPXTF-LLVKDONJSA-N 305.378 1.013 0 40 DDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC=CCC2)s1 40218145 RSEJEDNWVZTSBV-JTQLQIEISA-N 314.432 1.411 0 40 DDAB C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1N1CCOCC1 76054367 KXHIFUJXWUWRTL-SWLSCSKDSA-N 316.405 1.147 0 40 DDAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1nnc(C2CC2)s1 75092451 YLINZLOBSBEONI-IUCAKERBSA-N 310.379 1.879 0 40 DDAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCNC(=O)CC1 80179896 RNSCCJLFOFQUEZ-BZNIZROVSA-N 319.380 1.981 0 40 DDAB COCCNC(=O)c1cnc2cc3c(cc2c1O)OCCO3 12498409 CWHHXNNJWRETSN-UHFFFAOYSA-N 304.302 1.088 0 40 DDAB CCN(CC)C(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582920 MMUKGTAGMHZENE-UHFFFAOYSA-N 314.407 1.573 0 40 DDAB CC(=O)Nc1cccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c1 19937509 QVSOBGZGLVDNDZ-UHFFFAOYSA-N 314.345 1.526 0 40 DDAB CCOc1ccc(CC(=O)N2CCC[C@@H]2Cn2nccn2)cc1 618255019 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DDAB CS(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4518054 WMKUBWUVAWLSIG-UHFFFAOYSA-N 324.383 1.503 0 40 DDAB CN(CC1(O)CCOCC1)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 249095462 IFAJOLKZLMYVCK-OLMNGRFOSA-N 322.449 1.994 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 50246734 VSAUWAIQGVLBFL-SECBINFHSA-N 324.324 1.555 0 40 DDAB COCCCNC(=O)CN1CCN(Cc2ccccc2C)CC1 40460982 MMQPYGXDAQRUNL-UHFFFAOYSA-N 319.449 1.265 0 40 DDAB CC(C)N1C(=O)c2ccc(C(=O)NCC3CC3)cc2S1(=O)=O 51034816 ZVSDWKDNQYZYBY-UHFFFAOYSA-N 322.386 1.379 0 40 DDAB Cc1cc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)n(C)n1 40514110 KXNAWXFSZHQSHP-CYBMUJFWSA-N 315.377 1.775 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 41129096 JGERZKNKQGCXOB-ZCFIWIBFSA-N 303.181 1.458 0 40 DDAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)c1 102687029 KWAXNMVQELENOS-NOXHYTERSA-N 311.337 1.587 0 40 DDAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1OC 32902500 IHXFZOFYAPNSEH-LLVKDONJSA-N 322.405 1.871 0 40 DDAB CC(=O)NCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 41317124 IOGJZTYIBSHDDT-AWEZNQCLSA-N 310.781 1.766 0 40 DDAB Cc1ccc(/C=C/C(=O)NCCN2CCCS2(=O)=O)s1 61598484 QNYDWNLXPUGKNC-AATRIKPKSA-N 314.432 1.221 0 40 DDAB C[C@H](Cc1ccccc1Cl)NS(=O)(=O)c1cnn(C)c1 47497695 MNVXOSWPCYVWOO-SNVBAGLBSA-N 313.810 1.983 0 40 DDAB COc1cn(C)c(C(=O)NCc2ccccc2Cl)cc1=O 61720605 GMZQYIUHHYCJQO-UHFFFAOYSA-N 306.749 1.977 0 40 DDAB Cc1ccc(NC(=O)CCn2nc(O)ccc2=O)c(Cl)c1 23124638 CKWFWOUSUVRHQH-UHFFFAOYSA-N 307.737 1.940 0 40 DDAB Cc1cc(N)nc(S[C@H](C(=O)NC[C@H]2CCCO2)C(C)C)n1 79133657 RLOPGGVMGGXTOF-YPMHNXCESA-N 324.450 1.779 0 40 DDAB CC1(C)COC2(OC1)C1=NS(=O)(=O)C[C@@]13CC[C@@H]2C3(C)C 1631634 FBPXNLZNHSTVTN-YGRLFVJLSA-N 313.419 1.976 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)CS[C@H](C)C2=O)c1 2711146 JSLFDVWXQUDKNS-SECBINFHSA-N 308.359 1.124 0 40 DDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn(O)c3c2)C1 2653949 GOEBFSMTHRKBBL-UWVGGRQHSA-N 310.379 1.335 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCCc1nnc2n1CCC2 42502797 YOQFJGXAHQPVCN-LBPRGKRZSA-N 300.362 1.351 0 40 DDAB COc1ccc(OC)c(NC(=O)C[C@H](NCC(C)C)C(=O)O)c1 4280207 RSQHXKYSQXCZKN-ZDUSSCGKSA-N 324.377 1.731 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)CN(C)CC(=O)NC(C)C)c1 25299856 HIJDDXXQYYMDSJ-OAHLLOKOSA-N 308.422 1.500 0 40 DDAB COc1cccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)c1 4503968 NYCPQLLMXVMECC-RRFJBIMHSA-N 317.389 1.423 0 40 DDAB COc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)cc(OC)c1OC 6735703 PTWPUMBBFLERBW-RYUDHWBXSA-N 309.362 1.746 0 40 DDAB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)NC(N)=O 6970357 DIUBIDQLQSPKBD-FLIBITNWSA-N 324.296 1.277 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 7070340 YJHSKXNQTHPMES-ZJUUUORDSA-N 318.826 1.922 0 40 DDAB NC(=O)[C@@H]1CCCN(CCCNC(=O)/C=C/C2CCCCC2)C1 104092076 AOPFKUAJMCWKSW-ZNFPLGDCSA-N 321.465 1.827 0 40 DDAB O=C(OC1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 55528822 QDMFNXKRFUVKDQ-UHFFFAOYSA-N 302.330 1.838 0 40 DDAB CCc1cc(NC2CCN(C(=O)C(C)C)CC2)n2ncnc2n1 51827953 URNKZWHLAGIFRX-UHFFFAOYSA-N 316.409 1.746 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CO[C@H]3CCC[C@@H](C)C3)CCO2)n1 107055625 JXNBPZLQLBDSHD-XBFCOCLRSA-N 322.409 1.608 0 40 DDAB COc1ccccc1C(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1 12650786 IANKJTFKWGVVPM-TXEJJXNPSA-N 307.346 1.488 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c1 10044260 YFUGOSYWTLCUSG-HNNXBMFYSA-N 318.398 1.808 0 40 DDAB CC(C)OCCCNC(=O)c1cc(F)ccc1-n1cnnn1 20719559 VQXGTVCUAUZXAQ-UHFFFAOYSA-N 307.329 1.346 0 40 DDAB Cc1nc(COc2ccc(C(=O)N3CCOC[C@H]3C)cc2)no1 44912445 IJSJTJBDNRUVCI-LLVKDONJSA-N 317.345 1.818 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)c1 44907963 OCPGTPUOOWKEEV-GFCCVEGCSA-N 319.386 1.037 0 40 DDAB COc1cc(C(=O)NO[C@H]2CCCCO2)cc(OC)c1OC 58393934 MUSRNSHMIJRWIZ-ZDUSSCGKSA-N 311.334 1.900 0 40 DDAB Cc1ccc([C@@H](O)CNCc2c(C)nn(C)c2N(C)C)cc1 58432758 GSTPWPRVCGSIPI-INIZCTEOSA-N 302.422 1.926 0 40 DDAB Cc1nn(C)c2sc(C(=O)NCC(=O)NC(C)(C)C)cc12 58493661 NGKHRKIAZUUOEE-UHFFFAOYSA-N 308.407 1.588 0 40 DDAB C[C@H](Sc1n[nH]c(=O)n1C)C(=O)N1CCc2ccccc21 12809455 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CC[C@H]1CO[C@H](C)CN1C(=O)NCc1c(C)cc(C)[nH]c1=O 65517635 FLHWEYQKTDZJDW-OLZOCXBDSA-N 307.394 1.701 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1 14140186 RCLFEHCPPASMSI-MRXNPFEDSA-N 309.369 1.537 0 40 DDAB Cc1cc(-n2cc(C(=O)NC[C@H]3CCCO3)nn2)ccc1F 67262039 QJBAOZHMVFDBRF-GFCCVEGCSA-N 304.325 1.624 0 40 DDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 7141411 JPKLQTGKJMKXGZ-MRXNPFEDSA-N 317.345 1.548 0 40 DDAB COC(=O)c1ccc(CCC(=O)N[C@H]2CCCCNC2=O)cc1 68089136 GKSILILVZCPRGU-AWEZNQCLSA-N 318.373 1.191 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N(C)Cc2nnc(C)n2C)c1 80630380 WVSFAQDKXBEXNK-UHFFFAOYSA-N 312.370 1.392 0 40 DDAB CNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O 7602757 QQYFXNOTVSOLCM-UHFFFAOYSA-N 312.119 1.924 0 40 DDAB CN1CCN([C@@H](C(=O)NCc2ccncc2)c2ccccc2)CC1 68510328 QSCAYSHIEOWUPY-GOSISDBHSA-N 324.428 1.687 0 40 DDAB COC(=O)c1cc(C(=O)OC)c(NC(C)=O)c(C(=O)OC)c1 68677286 LSWCSGJZGXCESC-UHFFFAOYSA-N 309.274 1.005 0 40 DDAB Cn1cc(CC(=O)N(CC(N)=O)C2CCCC2)c2ccccc21 71839344 AZTKJABSFANZTG-UHFFFAOYSA-N 313.401 1.977 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)OCCO2 71829875 UGSVOEXDYWRARS-DGCLKSJQSA-N 318.373 1.113 0 40 DDAB COc1ccc(CCN[C@H]2CCCS(=O)(=O)C2)cc1OC 69135091 QUUIZIIEIIWLRM-ZDUSSCGKSA-N 313.419 1.413 0 40 DDAB c1coc(-c2noc(CN3CCO[C@@H](Cn4cccn4)C3)n2)c1 69392023 GKTXSKDZZOUVLN-GFCCVEGCSA-N 315.333 1.427 0 40 DDAB CCO[C@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 69413938 KEQDJWPDKFXINE-GFCCVEGCSA-N 313.361 1.943 0 40 DDAB O=C(CC(C1CC1)C1CC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269427 IVSBWUKCDHAMIA-SJORKVTESA-N 306.450 1.870 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCc2nnnn2-c2ccccc2)c1 69528879 LGJWNSZTHUDSLJ-KBPBESRZSA-N 311.393 1.907 0 40 DDAB CCc1nnc(CN2CCCC[C@H]2Cn2nc(C)nc2C)o1 69601230 JMGQPVGNXZYGEJ-ZDUSSCGKSA-N 304.398 1.895 0 40 DDAB CC(C)C(=O)NCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 69656901 YYBITRQSAVRSGE-UHFFFAOYSA-N 320.389 1.608 0 40 DDAB c1cnc2c(OCCCNc3ccc4nnnn4n3)cccc2c1 69629629 GNRWGINABQJNBA-UHFFFAOYSA-N 321.344 1.949 0 40 DDAB COCCCn1c(C)cc(C(=O)CSc2n[nH]c(N)n2)c1C 8548918 VGCKBBWWMKCZRS-UHFFFAOYSA-N 323.422 1.817 0 40 DDAB O=C(Cc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 17635945 BVYRSBOXPKWMOK-AWEZNQCLSA-N 303.383 1.686 0 40 DDAB O=c1[nH]c(CCN2CCC[C@@H]2Cn2cncn2)nc2ccccc12 69842289 DDLDSNXSJJYLDS-CYBMUJFWSA-N 324.388 1.222 0 40 DDAB CN(c1cccnn1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 69815140 GIGPAHIMBCUNCP-CQSZACIVSA-N 304.394 1.473 0 40 DDAB Cc1ccc(NC(=O)Nc2cnn(C[C@@H](O)CN(C)C)c2)cc1 69812094 VYJUOYUHYBXWBN-HNNXBMFYSA-N 317.393 1.758 0 40 DDAB Cc1cccc(-n2ccnc2SCCNS(C)(=O)=O)c1 69977939 XRRHMNUPCNKEKN-UHFFFAOYSA-N 311.432 1.822 0 40 DDAB O=C(CN1CCN(Cc2cccnc2)CC1)NCc1ccccc1 85433831 YFZTXJHVTKMTKC-UHFFFAOYSA-N 324.428 1.516 0 40 DDAB O=C(c1ccccc1F)N1CCN(CCCn2ccnc2)CC1 95987161 KULJQDRMMFRDML-UHFFFAOYSA-N 316.380 1.870 0 40 DDAB CCNC(=O)c1ccc(N[C@H]2CCN(CC3CCCC3)C2)nn1 95990003 MYIFUZQBNXJRMD-AWEZNQCLSA-N 317.437 1.903 0 40 DDAB CSC[C@H](CCO)NC(=O)c1ccc(Br)cn1 95976885 SVLMVRNVQDXERK-VIFPVBQESA-N 319.224 1.688 0 40 DDAB CC(=O)c1ccc(O[C@H](C)C(=O)NCCCn2cncn2)cc1 89478664 OIMDINVNUXYSJB-CYBMUJFWSA-N 316.361 1.455 0 40 DDAB Cc1csc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75111130 FMLRFAAGIDVEPN-UHFFFAOYSA-N 306.391 1.756 0 40 DDAB COc1ccc(CNC(=O)N2CCN(C)C[C@H]2C)cc1OC 89938156 NXIVLVCHQQVJLG-GFCCVEGCSA-N 307.394 1.549 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCC[C@@H](O)C1CCOCC1 217916487 ZHYNIKWOUOUBIQ-XJKSGUPXSA-N 307.390 1.748 0 40 DDAB O=C1CCCN1C[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn21 306141125 VLVHMPOKIUTFBK-AWEZNQCLSA-N 317.393 1.078 0 40 DDAB CC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc(CO)o1)CCO2 306133360 MJNPVEWDZPALFJ-DLBZAZTESA-N 322.405 1.422 0 40 DDAB OCc1nnn(-c2nccs2)c1-c1ccc2c(c1)OCO2 62425333 XZFBPTCNZHLOQV-UHFFFAOYSA-N 302.315 1.612 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C1(CO)CO 218374031 KEVJQDACSWWOLC-NEPJUHHUSA-N 304.795 1.212 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)COC 218467267 FQJUQKKVUJOQFL-HZSPNIEDSA-N 317.838 1.832 0 40 DDAB CN1CCC(c2ccc(N[C@H]3CCS(=O)(=O)C3)cn2)CC1 72365190 IHZGCEYYNMIUGL-AWEZNQCLSA-N 309.435 1.490 0 40 DDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)C1(n2cnnn2)CCCCC1 72406106 OCTYMJPARNVBPD-RDBSUJKOSA-N 301.394 1.661 0 40 DDAB COc1ccc(-c2nccc([C@@H]3CCCN3CC(N)=O)n2)cc1 72379432 WDRKRMUCKYXNOJ-HNNXBMFYSA-N 312.373 1.774 0 40 DDAB CNC(=O)[C@H]1NCC2(CCCC2)c2cc(OC)c(OC)cc21 35993584 RWMSWBMYEASOIA-HNNXBMFYSA-N 304.390 1.906 0 40 DDAB COCCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165200 SLMVFKOPPUSBNK-UHFFFAOYSA-N 322.287 1.624 0 40 DDAB C[C@H](N)C(=O)NC[C@H]1CCCCN1C(=O)OCc1ccccc1 79393044 VUEOHMJRRSBACT-DZGCQCFKSA-N 319.405 1.641 0 40 DDAB CCCC(=O)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1 72341960 YDZRHYFTCWYXDS-AWEZNQCLSA-N 315.377 1.393 0 40 DDAB CC(=O)N1CC(C(=O)Nc2cc(F)ccc2N2CCCC2)C1 72344549 HJXSOJJULZQPKJ-UHFFFAOYSA-N 305.353 1.843 0 40 DDAB COC[C@@](C)(O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 562377968 SMIVWFJYHCLKKD-MRXNPFEDSA-N 303.362 1.825 0 40 DDAB Cc1nc(C)c(C(=O)NCc2n[nH]c(=O)c3ccccc23)s1 44059500 URYVZILEMZDFJV-UHFFFAOYSA-N 314.370 1.926 0 40 DDAB Cc1ccsc1C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802742 CTFDGTYZCHPOCR-UHFFFAOYSA-N 316.342 1.725 0 40 DDAB C[C@@]1(C(=O)N2CCOCC2)Oc2ccc(Cl)cc2NC1=O 41549735 RSVFCRVHZAEPRJ-CQSZACIVSA-N 310.737 1.288 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(CC(F)(F)F)CC1 45056446 FUXPCLUSIPFFKF-UHFFFAOYSA-N 302.300 1.607 0 40 DDAB CCOC(=O)c1cnc(NC(=S)NCCCOC)nc1C 225196161 JVDKBLZSVHLCKX-UHFFFAOYSA-N 312.395 1.285 0 40 DDAB CC[C@H]1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1 329835619 LMDYWBVYNCFDQY-LBPRGKRZSA-N 317.480 1.865 0 40 DDAB O=c1c2ccccc2ncn1CCc1nc(-c2cnccn2)no1 84508347 VHECZEWLZASNTO-UHFFFAOYSA-N 320.312 1.479 0 40 DDAB Cc1ccccc1CCCN(C)CC(=O)N1CCC(O)CC1 85948353 RSAGMKROKFIGKD-UHFFFAOYSA-N 304.434 1.843 0 40 DDAB CCn1nc(C)c(CNc2ccc(S(C)(=O)=O)nc2)c1C 195562789 UMMHOHXSPAJXDT-UHFFFAOYSA-N 308.407 1.930 0 40 DDAB c1cnc(N2CCC3(CC2)CN(Cc2ccoc2)CCO3)nc1 96158817 FVWNHLMKGHIEOW-UHFFFAOYSA-N 314.389 1.941 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(F)cc(F)c1 96412827 SVBUJGWWVJCJIZ-DTWKUNHWSA-N 303.330 1.612 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)NCCn2cnnc2C)cc1 96445361 PBXVLGGZWHFFGP-UHFFFAOYSA-N 311.345 1.980 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CCN([C@@H]1CCOC1)CC2 96254538 AEVZLAFEIPKFOU-CQSZACIVSA-N 302.422 1.575 0 40 DDAB CN(C)C[C@H]1CCN(C(=O)NCCOc2cccc(F)c2)C1 97101575 JNMWTBFAJDILHD-CYBMUJFWSA-N 309.385 1.798 0 40 DDAB O=S(=O)(Cc1ccccc1)NC[C@@H](O)c1ccccc1F 96417485 IWMQPGVMPUDMNN-OAHLLOKOSA-N 309.362 1.979 0 40 DDAB CCn1nnc(C)c1C(=O)N1CCN2CCOc3cccc1c32 333836698 MOZMVXHUPADVBE-UHFFFAOYSA-N 313.361 1.466 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]2O1)N1CCC1 96209923 NVXBEGKUBMWTHV-RCCFBDPRSA-N 314.429 1.941 0 40 DDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NCC2CC2)C1 96208923 AFWSEAMSOZLZRM-RHSMWYFYSA-N 319.405 1.266 0 40 DDAB Cc1ncoc1C(=O)N1CC2(C[C@@H](OCC3CC3)CCO2)C1 248041732 PFAJFFDOHQDCJG-ZDUSSCGKSA-N 306.362 1.783 0 40 DDAB COc1ccccc1[C@H]1CN(Cc2cncn2C)CCN1C 257249999 JKOGCJYFJIGEDA-MRXNPFEDSA-N 300.406 1.917 0 40 DDAB Cc1cc(NC(=O)CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n(C)n1 252476841 CIQZTOYOGOZSEW-DFBGVHRSSA-N 306.410 1.412 0 40 DDAB 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MUSRBGSOLWCRSS-LLVKDONJSA-N 316.361 1.695 0 40 DDAB O=C(CC[C@@H]1CCCO1)Nc1cccc2c(=O)[nH]nc(O)c12 78914785 PMBLAVJQJWYWOM-VIFPVBQESA-N 303.318 1.526 0 40 DDAB COc1c(N)ncnc1N1CCO[C@H](c2ccc(F)cc2F)C1 565312198 BDIJYLVDBAYUON-LBPRGKRZSA-N 322.315 1.924 0 40 DDAB CCOc1cc(C(=O)NCC(=O)OC)nn1-c1ccccc1 72264733 MWEXPDPZIWASGH-UHFFFAOYSA-N 303.318 1.174 0 40 DDAB C[C@H]1CCc2noc(C3CCN(C(=O)c4cn[nH]n4)CC3)c2C1 72392460 NPUXFZFUAIVRFV-JTQLQIEISA-N 315.377 1.937 0 40 DDAB CS(=O)(=O)[C@H]1[C@H](C(=O)O)[C@@H]1c1ccc(Br)cc1 218196575 WOZDOUMKQCWPFV-IVZWLZJFSA-N 319.176 1.660 0 40 DDAB CCn1nc(C)c(S(=O)(=O)NCCCn2cccn2)c1C 72239043 BGCNCTHSRLDVLW-UHFFFAOYSA-N 311.411 1.085 0 40 DDAB C[C@H](CN1CCCCCC1)NC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 225665384 OVNZCTJFHXEKPA-YTLBIWTGSA-N 321.465 1.662 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1F 75157296 ZLZPFNMPSOYDDD-NSHDSACASA-N 311.375 1.357 0 40 DDAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N(C)C)ccc21 225701815 ZQRKJYJVUNXLQP-UHFFFAOYSA-N 300.405 1.894 0 40 DDAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCC(C)C 96112974 IXDGKQPVXXKHDB-JKSUJKDBSA-N 317.433 1.710 0 40 DDAB biogenic,in-vitro O=C(O)C1(c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 96515622 ILTOKXWKBFYXFQ-UHFFFAOYSA-N 309.387 1.977 0 40 DDAB COCCO[C@@H]1CCN(C(=O)NC(C)C)[C@@H]1Cc1cccnc1 96200528 WWTRTLDBXWKZBW-HZPDHXFCSA-N 321.421 1.848 0 40 DDAB O=C(NC[C@H](O)c1ccccc1F)c1[nH]nc2c1CCCC2 96445829 PQYGUMLVVZTYMF-AWEZNQCLSA-N 303.337 1.891 0 40 DDAB O=C(NC1CC1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 96073779 LCCKUAJWLRPHBQ-BBRMVZONSA-N 317.393 1.384 0 40 DDAB CC(C)OCc1nnn2c1CN(C(=O)c1ccc[nH]1)CCC2 96084340 ATPIPNJARIZREN-UHFFFAOYSA-N 303.366 1.577 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96208999 SXMPSVFTXOLUQX-OAHLLOKOSA-N 320.389 1.395 0 40 DDAB COc1ccc(CN2C[C@@H]3OCCN(CCN(C)C)[C@@H]3C2)cc1 96054300 MNEKLAOOCUFVTC-MSOLQXFVSA-N 319.449 1.142 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 96054160 ZXUVUVGHLWUJJV-HZPDHXFCSA-N 323.400 1.466 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 96047070 XHJAKDCMTVRBPV-QGZVFWFLSA-N 316.405 1.691 0 40 DDAB Cn1ccnc1CN1CCc2ncc(CN3CCCC3)n2CC1 96196852 OMVDZIFUGZALPL-UHFFFAOYSA-N 314.437 1.271 0 40 DDAB CCNC(=O)c1ccc(NC[C@@H](C)Cn2nc(C)cc2C)nn1 95411814 FLVXQIXQQLHBIQ-LLVKDONJSA-N 316.409 1.788 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96184647 YVDHTNUMCREWNY-JKSUJKDBSA-N 310.401 1.909 0 40 DDAB O=C(CC1CC1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 96185389 LSBJZMIARMQWQQ-KFWWJZLASA-N 316.405 1.552 0 40 DDAB CNc1cnc(C[C@H]2CCCN(C(=O)c3cc[nH]n3)CC2)cn1 257334950 YHZAINXSOHDAMO-LBPRGKRZSA-N 314.393 1.726 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257236331 HBQXHHGQKXOTMZ-GFCCVEGCSA-N 308.407 1.877 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257301236 RXONPCDZKDYOKI-CQSZACIVSA-N 316.361 1.532 0 40 DDAB CCc1ccnc(CNC(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1 252483949 FLHAWLUIYULJNQ-SJKOYZFVSA-N 319.405 1.985 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC(Cn2cccn2)CC1 85436399 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Cc1ccc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)cn1 76093993 FVVQPZAAGWILBQ-CQSZACIVSA-N 304.394 1.230 0 40 DDAB CN1C[C@H](NC(=O)N(Cc2ccccc2)CC(F)F)CC1=O 95413591 QCOOYRJOUJFODF-GFCCVEGCSA-N 311.332 1.694 0 40 DDAB Cc1ccccc1OCC(=O)NCC1(OCCO)CCCC1 888106903 DIHIDKKATNURBI-UHFFFAOYSA-N 307.390 1.812 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 4372058 BCYLGNHQHYDFIY-CQSZACIVSA-N 322.430 1.160 0 40 DDAB O=c1/c(=C/c2c(O)ccc3ccccc23)sc2n1CCCN=2 17193621 PDPNSNSPNHNIQM-GDNBJRDFSA-N 310.378 1.621 0 40 DDAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)NC1CCOCC1 225557386 ZVFCORXUXZHSCH-AWEZNQCLSA-N 306.362 1.133 0 40 DDAB C/C=C/C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 5463510 CRAKUAQLTFHKQJ-QPJJXVBHSA-N 302.330 1.870 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 253792 AGKBVWQGTJKNET-UHFFFAOYSA-N 311.750 1.635 0 40 DDAB O=C(c1cnc[nH]1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238868432 MHUSFVPECDOMFG-OLZOCXBDSA-N 309.329 1.816 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)c1ccnc(OCC2CC2)c1 240122395 VYGBHFZPNZPKHD-ZDUSSCGKSA-N 304.346 1.648 0 40 DDAB COC(=O)[C@]1(CC2CC2)C[C@@H](N2CCCC2)CCN1C(C)=O 2056214995 NFVLRNCCUPXZMT-RDJZCZTQSA-N 308.422 1.805 0 40 DDAB COCCN1CCC(CNC(=O)Cc2ccc(OC)cc2)CC1 23127913 WWLKYXSJCTXVOL-UHFFFAOYSA-N 320.433 1.712 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 30343198 FDDNQTJIBBSORC-MEBBXXQBSA-N 307.350 1.207 0 40 DDAB Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](N)C1 50242047 WUAPYENQFQLYIQ-SNVBAGLBSA-N 319.224 1.479 0 40 DDAB COc1ccc(OCc2noc(CN3CCO[C@H](C)C3)n2)cc1 40479843 OSDQGYINNGCLAT-GFCCVEGCSA-N 319.361 1.878 0 40 DDAB Cc1ccnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 40520781 MXVJYEFAVFHJHI-ZDUSSCGKSA-N 310.357 1.772 0 40 DDAB CNC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 40520319 AFKXCEYMARTHCH-JTQLQIEISA-N 303.318 1.749 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)n1 40529665 PFLHIHBMMOYVQB-UHFFFAOYSA-N 312.373 1.518 0 40 DDAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 40506006 CSSZZUDEMPLNCE-SSDOTTSWSA-N 307.297 1.801 0 40 DDAB Cc1ccoc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 31939154 QAFPZXWBJWXBGE-HNNXBMFYSA-N 310.419 1.526 0 40 DDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1 20567543 ULSCUCQVDRCPNV-LBPRGKRZSA-N 314.389 1.818 0 40 DDAB CC[C@@H](C)n1[nH]cc/c1=N\C(=O)[C@@H](C)OC(=O)C1=COCCO1 102281195 PCRPRTALUZZHPK-SJZWRUIUSA-N 323.349 1.034 0 40 DDAB COC(=O)[C@H](C)CN(C)Cn1c(=O)oc2cc(Cl)ccc21 32926923 INLOOFBBWOHZGQ-SECBINFHSA-N 312.753 1.946 0 40 DDAB CN(c1ccccc1)c1ccc(C(=O)N2CC[C@H](C(N)=O)C2)cn1 53894905 KPHIQDYYDXVPBG-AWEZNQCLSA-N 324.384 1.797 0 40 DDAB CCC(CC)NC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 47210323 TVBVPEONBPZGHN-UHFFFAOYSA-N 303.362 1.628 0 40 DDAB O=C(NC1CCC(OCC(F)(F)F)CC1)c1ccc[nH]c1=O 47288337 VFJBXVGMDCTDCC-UHFFFAOYSA-N 318.295 1.995 0 40 DDAB NC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2)CC1 853321 CLEGHVZJUIGOCJ-UHFFFAOYSA-N 312.369 1.943 0 40 DDAB O=C(CCS(=O)(=O)C1CCCC1)NCCCn1ccnc1 47699158 BAGQSTLQKLSOOL-UHFFFAOYSA-N 313.423 1.137 0 40 DDAB CCCN1CC[C@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1 54511291 XZGRXGNIQURZEQ-CQSZACIVSA-N 310.442 1.015 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1Cl 3370738 KXACJFWNWBFAIC-UHFFFAOYSA-N 319.144 1.996 0 40 DDAB NC(=O)CCCNC(=O)c1ccc(N2CCCCC2=O)cc1 42926172 QPLMOYZNIXWVNY-UHFFFAOYSA-N 303.362 1.199 0 40 DDAB COCCNC(=O)[C@H](C)OC(=O)c1cc2sccc2n1C 4967013 HBPOCBWICAHIFS-VIFPVBQESA-N 310.375 1.548 0 40 DDAB CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 24748780 OTFNTPBMHFXJAA-VIFPVBQESA-N 311.179 1.890 0 40 DDAB C[C@H](NC(=O)CNc1cccc(S(C)(=O)=O)c1)c1ccco1 25699213 XSIDPCAOSXIDDV-NSHDSACASA-N 322.386 1.972 0 40 DDAB O=C(NCCc1cccs1)N1CCN(c2cnccn2)CC1 26146119 VHXANRNGGWOSKT-UHFFFAOYSA-N 317.418 1.612 0 40 DDAB O=C(O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 57352157 IHENDYZQILEZMW-UHFFFAOYSA-N 301.277 1.777 0 40 DDAB O=C(c1cnccn1)N1CCN(C/C=C/c2ccccc2)CC1 25460215 UTADPZBYVQGTRD-QPJJXVBHSA-N 308.385 1.948 0 40 DDAB Cn1ncc2c(=O)[nH]c(NC[C@@H](O)c3ccc(Cl)cc3)nc21 57841336 PBMLDJQCOAYXKJ-LLVKDONJSA-N 319.752 1.456 0 40 DDAB CC[C@@](C)(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)OC 58181857 CPWMAVCVPYESHM-MRXNPFEDSA-N 318.377 1.657 0 40 DDAB O=C(Cn1cccnc1=O)Nc1ccc(-n2cccn2)c(F)c1 58166365 DREGGVWNFWHOOZ-UHFFFAOYSA-N 313.292 1.207 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1ccoc1 44973708 WZNRYJBVNZAFQT-ZYHUDNBSSA-N 310.350 1.102 0 40 DDAB COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(F)c(Cl)c1 44947381 LHKLREBLSAOFOW-MRVPVSSYSA-N 323.773 1.404 0 40 DDAB C[C@@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)[C@H](C)CO1 44916508 ZVYBLSDILWIHBM-NXEZZACHSA-N 323.374 1.201 0 40 DDAB CCNC(=O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 45007075 PULYAQSSXXYUEG-UHFFFAOYSA-N 307.369 1.110 0 40 DDAB CCSCCC(=O)NCc1ccnc(N2CCOCC2)c1 45016523 NPFMNCSEJLRAKZ-UHFFFAOYSA-N 309.435 1.678 0 40 DDAB CC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 46165937 UDKFZVKPUAFGGK-LBPRGKRZSA-N 315.377 1.265 0 40 DDAB CS(=O)(=O)CCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 110680935 HSUWRQQGVXKZOP-UONOGXRCSA-N 315.435 1.992 0 40 DDAB COc1ccc(C(=O)NCc2cccnc2-n2ccnc2)c(O)c1 29920785 DZJBCTFQBKYZQU-UHFFFAOYSA-N 324.340 1.912 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)NN3CCOCC3)o2)n1 2777997 DFCMKZNPAIMZLS-UHFFFAOYSA-N 304.350 1.118 0 40 DDAB Cc1ccccc1OCCN(C)C(=O)N[C@@H](C)c1nncn1C 46963765 NCIAUODQWAGCHJ-ZDUSSCGKSA-N 317.393 1.905 0 40 DDAB COc1cccc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)c1 13067343 VTLOWOAPQTWNBO-UHFFFAOYSA-N 321.354 1.872 0 40 DDAB Cc1ccccc1C[C@@H](C)NC(=O)Nc1cnn(CC(N)=O)c1 65422881 RCYRPGZSHFDELA-GFCCVEGCSA-N 315.377 1.430 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC(n2cccn2)CC1 65475400 STCNIAFASMZMSW-UHFFFAOYSA-N 310.379 1.514 0 40 DDAB COCCCNC(=O)CSc1nc2sccc2c(=O)[nH]1 14015138 HHCDVGMFMAJVEY-UHFFFAOYSA-N 313.404 1.229 0 40 DDAB COCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 65550852 MDTIXWMBAILZKP-RYUDHWBXSA-N 308.382 1.463 0 40 DDAB Cn1ccn2ncc(C(=O)NC[C@H]3OCCc4ccccc43)c12 65530894 KEUVQINFBBMXBH-OAHLLOKOSA-N 310.357 1.717 0 40 DDAB C[S@](=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1 5377772 TYZZWDXLYBINEX-JOCHJYFZSA-N 317.414 1.859 0 40 DDAB CC1(C)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 4516776 WVYKIJKGTQVUFL-UHFFFAOYSA-N 309.753 1.287 0 40 DDAB COc1ccc(-n2nnnc2SCC(=O)c2ccc[nH]2)cc1 6646880 LVNLMORLJABFBG-UHFFFAOYSA-N 315.358 1.974 0 40 DDAB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ncn[nH]1 9451364 JKCFRAFFQSCKSO-UHFFFAOYSA-N 315.406 1.771 0 40 DDAB CC(C)C(=O)NCCCNC(=O)NC[C@@H]1Cc2ccccc21 96485000 SFJIQPXQRPLOGB-AWEZNQCLSA-N 303.406 1.788 0 40 DDAB CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C)c1ccc(F)cc1 68180171 FVHOXHWJTMCNCS-NSHDSACASA-N 316.398 1.675 0 40 DDAB COc1ccccc1/C=C/C(=O)N1CCO[C@@H](CC(=O)O)C1 95403627 HMNPLEZOEFBTIQ-YBJDMEARSA-N 305.330 1.411 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1csc(C)n1)CC2 95400630 UCIKRFYKXHCYOX-QWHCGFSZSA-N 310.419 1.844 0 40 DDAB CCCCC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O 7814337 OZHLALIWOSRWBE-UHFFFAOYSA-N 310.398 1.462 0 40 DDAB Cc1cc(C(=O)N2CCN([C@H](C)c3nnc(C)o3)CC2)on1 71819454 MZIGBUNXQUQJFQ-SNVBAGLBSA-N 305.338 1.193 0 40 DDAB C[C@H]1CCCCN1C(=O)CCNC(=O)c1cc(C2CC2)[nH]n1 69488474 QFHMYVNOCPQXQW-NSHDSACASA-N 304.394 1.808 0 40 DDAB CC(=O)N(CCC(=O)N[C@H](C)C(=O)N(C)C)Cc1ccccc1 69490539 BGZUFKYIDOJLCY-CYBMUJFWSA-N 319.405 1.018 0 40 DDAB Cc1cnn(-c2ccc(C(=O)N3CCn4c(C)nnc4C3)cc2)c1 69571435 AVXWAZMUDVJCPG-UHFFFAOYSA-N 322.372 1.737 0 40 DDAB Cn1cnc(CNC(=O)N2CCO[C@@H](c3ccsc3)C2)n1 91774903 IXNUIVWVCZXNKK-LLVKDONJSA-N 307.379 1.160 0 40 DDAB Cc1nc(COc2ccc(CC(=O)NCCO)cc2)cs1 69739046 ZHEVCBKTANGGCF-UHFFFAOYSA-N 306.387 1.682 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1cc(=O)n2ccccc2n1 18035377 DBDLSSMZGPBEDK-UHFFFAOYSA-N 305.293 1.491 0 40 DDAB CC[C@@H](C(N)=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 69812442 BLUURWQREASZHY-BBRMVZONSA-N 305.422 1.638 0 40 DDAB Cc1ccccc1OCCCC(=O)Nc1c(C(N)=O)n[nH]c1C 69896654 XXGPLGJBGQWQGA-UHFFFAOYSA-N 316.361 1.923 0 40 DDAB CC(C)Cc1cc(C(=O)Nc2nc(CC(N)=O)cs2)[nH]n1 69807700 QKNVDHIOLXIGOT-UHFFFAOYSA-N 307.379 1.345 0 40 DDAB COc1cc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc(OC)c1 92703194 IYVYUJJOSRBAJS-CVEARBPZSA-N 304.390 1.947 0 40 DDAB C[C@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)NC(N)=O 96839879 USCFMXLCXNKWJV-SFYZADRCSA-N 301.293 1.522 0 40 DDAB COCCN(C(=O)c1c(F)ccc(C)c1F)[C@H](C)C(N)=O 97080309 FWVNIQAFUHEBRT-SECBINFHSA-N 300.305 1.236 0 40 DDAB COCCCCNC(=O)C1CCN(Cc2cccnc2)CC1 72294938 FFOFOBRTEPNLJM-UHFFFAOYSA-N 305.422 1.836 0 40 DDAB O=C1CCCN1C[C@H]1CCCCN1C(=O)NC[C@H]1CCCO1 72278018 NEIJWHKTCZLNPW-ZIAGYGMSSA-N 309.410 1.352 0 40 DDAB O=C(CCc1cccs1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269118 GMXFKUYGWVXPNH-HUUCEWRRSA-N 308.447 1.738 0 40 DDAB O[C@@H](COCc1ccccc1Cl)CN1CC(n2cccn2)C1 72254024 BIQINOBFSGLAGH-OAHLLOKOSA-N 321.808 1.971 0 40 DDAB Cc1cc(NC(=O)CCN2CCOC[C@@H]2[C@@H]2CCCC2=O)no1 97163091 SFUWKSKPZOOUQB-QWHCGFSZSA-N 321.377 1.382 0 40 DDAB O=S(=O)(CCc1ccccc1)N1CCC[C@H]1Cn1ccnc1 72300184 ZENRZCDRXXQISY-INIZCTEOSA-N 319.430 1.920 0 40 DDAB COc1ccc2cnn(CN3CCSCC3)c(=O)c2c1OC 72405773 OLJCOFLPFYLJMA-UHFFFAOYSA-N 321.402 1.420 0 40 DDAB O=c1n(CCCS(=O)(=O)c2ccccc2)nc2n1CCCC2 84558651 BCGKLADOJZSXRP-UHFFFAOYSA-N 321.402 1.245 0 40 DDAB Cc1cn2nnc(C(=O)N[C@@H]3CCc4ccccc43)c2c(O)n1 75163988 VMSIRUUQEVMJKK-GFCCVEGCSA-N 309.329 1.556 0 40 DDAB NCc1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)o1 95971708 RCSNYHJVXDXDNZ-UHFFFAOYSA-N 323.356 1.653 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cn1 95976312 YGMREYANLLXLTF-UHFFFAOYSA-N 312.373 1.870 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)Nc1nc(C(C)(C)C)cs1 95955362 HPJCQFUKBUYXTM-ZETCQYMHSA-N 305.425 1.317 0 40 DDAB O=c1[nH]c(Cn2cncn2)nc2sc3c(c12)CCSC3 95975417 IRJSRQKFNWRYSW-UHFFFAOYSA-N 305.388 1.414 0 40 DDAB CCN(C(=O)NC[C@@H]1CCCO1)[C@@H](C)CS(=O)(=O)CC 75611689 BBKPCGSFCRZXPV-RYUDHWBXSA-N 306.428 1.020 0 40 DDAB COCCc1noc(CN2CCC[C@@H]2c2noc(C3CC3)n2)n1 76047468 NTPNIRRTZXLNQH-LLVKDONJSA-N 319.365 1.856 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2 20744355 DBVFFPMMSXCGDM-JTQLQIEISA-N 321.287 1.641 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 33734745 YGYKXZNSRZBOKB-LBPRGKRZSA-N 319.386 1.065 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1 4677054 RIQLMDXNQFFCCH-ZIAGYGMSSA-N 321.354 1.152 0 40 DDAB biogenic CCN1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 43078206 CJTNZLAUMDUDGF-UHFFFAOYSA-N 320.418 1.895 0 40 DDAB O=CN1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 37105000 ZULTUQHDXRRTAE-UHFFFAOYSA-N 304.375 1.009 0 40 DDAB CCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217699172 FYRMJRYUUOVQJX-SECBINFHSA-N 316.379 1.130 0 40 DDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 40386738 QNBBLOIXSQRDQX-SECBINFHSA-N 303.297 1.323 0 40 DDAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222971918 FHAXOSQITHLWON-CYBMUJFWSA-N 322.405 1.585 0 40 DDAB O=C(NCc1cccc(F)c1)C1CCC(Cn2cnnn2)CC1 40268134 XYRDLRSALPIQIF-UHFFFAOYSA-N 317.368 1.935 0 40 DDAB Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1OCC(N)=O 226744388 HWFJEUHTBVCKDO-UHFFFAOYSA-N 321.358 1.055 0 40 DDAB CCn1cc(NC(=O)[C@@H](C)n2cc3c(n2)c(C)nn3C)cn1 40715039 TZOTZXLSKRKXPO-SNVBAGLBSA-N 301.354 1.494 0 40 DDAB CO[C@@H]1CO[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1 96072211 OSWZORFYTZBCRR-JOYOIKCWSA-N 303.284 1.880 0 40 DDAB Cn1cc([C@]2(C)CN(CCCN3CCCCC3)CCO2)cn1 97103399 FDSZJKGYSXLXPP-KRWDZBQOSA-N 306.454 1.844 0 40 DDAB CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O 96296104 JFERHNJJWXQHKE-WZRBSPASSA-N 312.435 1.242 0 40 DDAB biogenic,in-vitro CC(C)COc1cncc(N2CCN(C3CCOCC3)CC2)n1 96461372 PNBWSAWYWXFAQV-UHFFFAOYSA-N 320.437 1.812 0 40 DDAB Cc1nnc(N2C[C@@H]3C[C@H](CC(=O)NC4CCC4)O[C@@H]3C2)s1 96219973 QRMPCLQPNKTKST-CYZMBNFOSA-N 322.434 1.499 0 40 DDAB CS(=O)(=O)CC1(CNc2ncc(Br)cn2)CC1 96449472 GTVGYQVDSXHRIO-UHFFFAOYSA-N 320.212 1.476 0 40 DDAB COCCCNC(=O)c1nnn(Cc2ccc(C)cc2)c1OC 96183360 MIVLTRCKVOCLRO-UHFFFAOYSA-N 318.377 1.410 0 40 DDAB Cc1nc(=NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)o[nH]1 333350292 FFVVUSXNVSCQLL-GFCCVEGCSA-N 306.366 1.613 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(Cc4ccco4)C3)C2=O)cn1 96050507 GDLNXGWJUREPPG-INIZCTEOSA-N 300.362 1.642 0 40 DDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@H]2OC 96108550 QZFKJZPGTMLBBX-ARFHVFGLSA-N 322.405 1.016 0 40 DDAB CCS(=O)(=O)NCCN1CC[C@H](C)C[C@H]1c1ccco1 252581971 VDSMDQTXSYTYTO-STQMWFEESA-N 300.424 1.992 0 40 DDAB CCn1nc(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)cc1C 257279235 OFRKJYYAJNQTBV-ZDUSSCGKSA-N 301.394 1.883 0 40 DDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccn3C)CCO2)c1 257343864 ZURVCVISOMNYAF-INIZCTEOSA-N 314.389 1.984 0 40 DDAB O=C(c1ccc(F)cc1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257227665 FQIOEAGBFUDPBP-HOTGVXAUSA-N 322.380 1.123 0 40 DDAB CCc1noc(C)c1C(=O)N1CCOC[C@H]1c1[nH]ncc1C 257250964 JOUBPXXOQVZXGK-LBPRGKRZSA-N 304.350 1.791 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 257277566 NYLYSNXKVVOKCR-CQSZACIVSA-N 300.362 1.676 0 40 DDAB COCCNC(=O)NCCCn1ccnc1-c1ccccc1 85555123 JJAPVIGWYHVRSE-UHFFFAOYSA-N 302.378 1.886 0 40 DDAB CN1C[C@@H]2CN(C(=O)NC3CCCCC3)CCN2C(C)(C)C1 253406545 URTHDJAHBYZTHJ-OAHLLOKOSA-N 308.470 1.739 0 40 DDAB biogenic,in-vitro COc1ccc(N2C(=O)N[C@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 575420445 IRMODPIJPRELFK-GXSJLCMTSA-N 316.766 1.044 0 40 DDAB O=C(COc1ccccc1)N[C@H](c1ccccc1)c1nn[nH]n1 585139746 SNXGZZHFZCDKRF-OAHLLOKOSA-N 309.329 1.484 0 40 DDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)C3CCOCC3)C2)c1 585269033 IIWQBYSJTMSCLH-SFHVURJKSA-N 319.401 1.764 0 40 DDAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1c(C)noc1C)C2 585107229 FNMYASAQFAPOGE-BLLLJJGKSA-N 305.378 1.670 0 40 DDAB Cc1ccc(OCC2CCN(C(=O)[C@H]3CCCCO3)CC2)nn1 1775995421 UTUDWIFBHUVTMM-OAHLLOKOSA-N 319.405 1.972 0 40 DDAB Cc1ncnc(OCC2CCN(C(=O)c3cnc[nH]3)CC2)c1C 1776001334 NMRVGVCJGNMXDR-UHFFFAOYSA-N 315.377 1.748 0 40 DDAB O=C(NCCc1nccs1)c1cnc2ccccn2c1=O 50450783 ABVAVPJTIMPTJP-UHFFFAOYSA-N 300.343 1.124 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)nn1 76044373 LSNDPNGWQBCKMC-NSHDSACASA-N 317.349 1.969 0 40 DDAB Cn1cc([C@@H]2CCCCN2C(=O)NCCc2ccn(C)n2)cn1 547691287 QIBMMIHGWZQDKW-HNNXBMFYSA-N 316.409 1.633 0 40 DDAB CC1CCN(CCN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)CC1 96481165 JEBHLTIAESBLQP-GJZGRUSLSA-N 302.484 1.616 0 40 DDAB CCN1C(=O)[C@](O)([C@H]2COC(C)(C)CC2=O)c2cc(C)ccc21 5018926 DTXIHQDLCHPHQA-SCLBCKFNSA-N 317.385 1.933 0 40 DDAB CC(=O)c1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 12831159 XMVZOUWTJGOLKO-UHFFFAOYSA-N 315.329 1.146 0 40 DDAB CC(=O)N1CCN(C(=O)Cc2cc(-c3cccs3)on2)CC1 12869336 PNWZEBXRUSBLKB-UHFFFAOYSA-N 319.386 1.636 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19495819 AIKRZOUVQRHWNY-RZFFKMDDSA-N 323.400 1.942 0 40 DDAB COCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)N(C)C)c(C)n1 19754221 VMCGCSJYXYSQMK-CYBMUJFWSA-N 320.393 1.187 0 40 DDAB COc1ccc(Cc2nnc(SCC(N)=O)o2)cc1OC 19929165 IXGQIFPAWKMWDQ-UHFFFAOYSA-N 309.347 1.255 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 643275448 NGBZRGDPWIYHJQ-INIZCTEOSA-N 320.437 1.412 0 40 DDAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 22030966 JPTUSNGPADFLSF-HNNXBMFYSA-N 306.406 1.266 0 40 DDAB CCOC(=O)C1=C(COc2ccccc2F)NC(=O)N[C@@H]1C 4960345 DGQRPAGJGHZWMF-SECBINFHSA-N 308.309 1.723 0 40 DDAB O=C(C1CC1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 15304377 STAPCRHRVYKYCY-UHFFFAOYSA-N 302.334 1.384 0 40 DDAB O=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCOCC2)ncn1 245187644 ZRYVBBAZPWGSTI-UHFFFAOYSA-N 324.344 1.442 0 40 DDAB O=C(O)CCCn1cc(NC(=O)COc2ccc(F)cc2)cn1 4502085 PCBWLGLOIPSYMY-UHFFFAOYSA-N 321.308 1.905 0 40 DDAB O=c1c2ccccc2cnn1Cc1nc2c3c(ncn2n1)CCC3 4511379 CPAJYKOGTGLGGC-UHFFFAOYSA-N 318.340 1.371 0 40 DDAB CC(=O)NCC(=O)N1CCS[C@@H](c2ccccc2F)CC1 219118372 BWOYMKAYBNVPNT-CQSZACIVSA-N 310.394 1.968 0 40 DDAB CCCc1nnsc1C(=O)N1CC(Nc2cccnn2)C1 606440779 YHUMNVIZMJXFDT-UHFFFAOYSA-N 304.379 1.217 0 40 DDAB COC(=O)c1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 995325 GKLCSNUFWOSRNB-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 4047047 KEPMHUZELDLQCA-ZWUHOBOKSA-N 303.406 1.167 0 40 DDAB biogenic O=C(O)/C=C/C(=O)Nc1cccc(I)c1 207235 IGUVMXTXEXBYJY-SNAWJCMRSA-N 317.082 1.871 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 52051461 NZOMVOXVCZZHMP-UHFFFAOYSA-N 318.345 1.072 0 40 DDAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)NC1 21334811 UTMYQMVIQHJKGY-UHFFFAOYSA-N 314.392 1.069 0 40 DDAB COC(=O)CSc1nnc(COc2ccccc2OC)n1C 412431 ZFPJRUAXFUZZBA-UHFFFAOYSA-N 323.374 1.668 0 40 DDAB CCOC(=O)CNC(=O)c1cc(-c2ccc(OC)cc2)no1 12413379 MIPDOLGRRXONLH-UHFFFAOYSA-N 304.302 1.643 0 40 DDAB CCC(=O)N1CC2(CC)CN(C(=O)CC)CC(CC)(C1)C2O 549445 FWYXCIXVTOWUNT-UHFFFAOYSA-N 310.438 1.645 0 40 DDAB Cc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1Cl 558161 NQNWVUHUECPMMF-UHFFFAOYSA-N 310.770 1.299 0 40 DDAB CC(C)COC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 958849 KSIMFOIYOUWMKV-UHFFFAOYSA-N 321.402 1.931 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 23426133 YQEFEXPYTGJXOI-UHFFFAOYSA-N 319.405 1.486 0 40 DDAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCOCC2)c1 23695836 LVXVXXKRTYEFFH-UHFFFAOYSA-N 319.405 1.439 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1Cl 3450012 GEISIUDDXDECMN-UHFFFAOYSA-N 316.716 1.872 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)cc1C 4637904 RZACQFLTQZUPIC-HUUCEWRRSA-N 320.389 1.854 0 40 DDAB Cc1ccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 6189537 LJIBUPHOUZLGFQ-UHFFFAOYSA-N 312.435 1.984 0 40 DDAB NS(=O)(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1 6467616 YENAHMFSLQPKEG-UHFFFAOYSA-N 302.359 1.822 0 40 DDAB in-vitro Cc1cnn([C@H]2CCCN(CC(=O)NC3CCOCC3)C2)c1 105901862 KEPRGXYQIVWNCP-HNNXBMFYSA-N 306.410 1.124 0 40 DDAB O=C(CSc1nnc[nH]1)Nc1ccccc1N1CCOCC1 7092089 PZYNXMGIYHVEKS-UHFFFAOYSA-N 319.390 1.372 0 40 DDAB CN(Cc1cccs1)C(=O)COC(=O)c1cccnc1N 24755433 KHLLFMQWVDUVON-UHFFFAOYSA-N 305.359 1.541 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 106772074 JOTPQIIGEYBBNR-PEBXRYMYSA-N 320.458 1.785 0 40 DDAB C[C@H]1COCCN1[C@H](C)CNC(=O)c1cccc(N(C)C)c1 106851903 RJMJQTRGJPEUKV-KGLIPLIRSA-N 305.422 1.592 0 40 DDAB CC[C@@H]1CN(C(=O)c2sccc2OC)C[C@H]1N1CCOCC1 84735952 NGZUDPQGVVCAQV-CHWSQXEVSA-N 324.446 1.940 0 40 DDAB COc1ccccc1OCCN(C)C(=O)NC[C@H]1CCCO1 56780017 ZCZNDQZFLOZBPJ-CYBMUJFWSA-N 308.378 1.894 0 40 DDAB Cn1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc21 12596911 LVCLVUMTLDUCTQ-OAHLLOKOSA-N 306.387 1.485 0 40 DDAB CC(=O)c1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1 26867386 VIJXILHHAVRSNB-UHFFFAOYSA-N 316.346 1.653 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 27393121 GGSUETHEOOWJLC-HOTGVXAUSA-N 316.401 1.639 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1=NN(C)C(=O)CC1 27410333 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CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccccc1 100427179 GQXHEZKPLVOAJK-GJZGRUSLSA-N 322.430 1.897 0 40 DDAB C[C@@H](CNC(=O)N1CCO[C@H](C)C1)N1CCc2sccc2C1 48368946 MPLLVPFBUCYLBJ-QWHCGFSZSA-N 323.462 1.925 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 28833349 HVUZCEJKFYJMSU-GOEBONIOSA-N 315.417 1.103 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 46492010 DAFVVQQESWTXGC-JSGCOSHPSA-N 316.357 1.765 0 40 DDAB COc1coc(C(=O)Nc2cccc(NC(C)=O)c2)cc1=O 38516634 IPTAFIPTCOVGOH-UHFFFAOYSA-N 302.286 1.859 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1cccc(C)n1)C(F)(F)F 13142109 FHVAHBPXDAKACK-LLVKDONJSA-N 305.256 1.370 0 40 DDAB Cn1nnc(-c2cccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)c2)n1 71285828 DXYAPFKQMVPLBE-MNOVXSKESA-N 315.333 1.172 0 40 DDAB C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1 6063254 BFVHNVLCRWFRKG-SNVBAGLBSA-N 313.313 1.365 0 40 DDAB CN(C(=O)Nc1cnn(CC(N)=O)c1)[C@H]1CCc2ccccc21 65436902 XGHQYBXHEAPUFJ-AWEZNQCLSA-N 313.361 1.520 0 40 DDAB Cc1ncsc1C(=O)NCCNC(=O)c1ccccc1F 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CC(C)c1nsc(N2CCC[C@@H]2C(=O)N2CCOCC2)n1 96455761 QPYWCLIRYWRHGM-LLVKDONJSA-N 310.423 1.489 0 40 DDAB Cc1ccc(N2CC[C@@H](N3CCCS(=O)(=O)CC3)C2=O)cc1 96424222 NOCLGJLKTCQIEP-OAHLLOKOSA-N 322.430 1.221 0 40 DDAB CCc1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)o1 96411667 UGERHGXUOWXFOV-UHFFFAOYSA-N 320.370 1.692 0 40 DDAB O=C(CCCC1CCCC1)NCCN1CCS(=O)(=O)CC1 96430692 QWLCRZYKKBSCIU-UHFFFAOYSA-N 316.467 1.194 0 40 DDAB O=C(COc1cccc[n+]1[O-])Nc1ccccc1OC(F)F 8223824 LOVIOYNKBDOVCY-UHFFFAOYSA-N 310.256 1.939 0 40 DDAB O=C(c1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 70021229 NJBREHLQQXFDGL-QGZVFWFLSA-N 311.385 1.573 0 40 DDAB Cc1noc([C@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)n1 69376746 GFNXJONYZAULQZ-JTQLQIEISA-N 318.381 1.517 0 40 DDAB CN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)NC1CCCCC1 71846970 ABLQPSROEVBQNV-HNNXBMFYSA-N 324.469 1.561 0 40 DDAB Cc1nn(CC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C)c1Cl 71829522 LVZLZXACZARWHZ-KCJUWKMLSA-N 312.801 1.266 0 40 DDAB O[C@@H](COCc1ccco1)CN1CCCC[C@@H]1Cn1cncn1 71877020 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CN1CCO[C@H](CN(C(=O)C2CC=CC2)c2nccs2)C1 95402081 RNQBYKAILQFKDE-ZDUSSCGKSA-N 307.419 1.773 0 40 DDAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CCNC(=O)N(C)C)c1 95456024 NWXHFRKIKDSQHQ-CQSZACIVSA-N 320.437 1.833 0 40 DDAB CSCC[C@H](O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 95451496 XAXYYTNQMFLECA-CABCVRRESA-N 310.463 1.828 0 40 DDAB C[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1nccs1 97038621 OJRCFNNDZXJMLT-GFCCVEGCSA-N 307.423 1.845 0 40 DDAB Cc1cnn(CCCNc2cc(N3CCC[C@H]3CO)ncn2)c1 72276233 FJNZXIKDUHFBHD-AWEZNQCLSA-N 316.409 1.445 0 40 DDAB FC(F)(F)c1nc(N2CC[C@]3(CCOC3)C2)c2nc[nH]c2n1 97105417 AMOUFMYDNGPPPW-LBPRGKRZSA-N 313.283 1.989 0 40 DDAB Cc1ccc([C@H](CNCc2c[nH]nc2C)N2CCOCC2)o1 97159415 MVANMADASHKSIW-HNNXBMFYSA-N 304.394 1.783 0 40 DDAB O=C1CN(C(=O)CNC2(Cc3ccccc3)CCCC2)CCN1 97374715 RGJAJFAAHSSCPJ-UHFFFAOYSA-N 315.417 1.090 0 40 DDAB Cc1cccc(C)c1OCC(=O)N1CCOC[C@H]1c1ncon1 95981360 IBJQWNHHYVLQSU-ZDUSSCGKSA-N 317.345 1.665 0 40 DDAB Cc1noc(CNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)n1 95988909 BPGXSCUYJKGJPX-AWEZNQCLSA-N 316.361 1.531 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCCCOCCO 95942790 RZGYSNZCXPZMBQ-UHFFFAOYSA-N 324.377 1.346 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@H]1CCN(C(C)C)C1=O 89587621 ZQGJNUREYWOMSJ-HNNXBMFYSA-N 321.396 1.985 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C)nn2C)cc1 89591699 KFRHTZSLNGXDLP-ZDUSSCGKSA-N 317.345 1.683 0 40 DDAB Cc1cc(CNC(=O)c2cc[nH]c2C)ccc1S(C)(=O)=O 89591248 BSGYYZSBEWDBMQ-UHFFFAOYSA-N 306.387 1.965 0 40 DDAB O=C(NCCCn1ccnc1)N1CC[C@@H](Oc2ccncc2)C1 89884976 OJSCMJBCGRLWJE-OAHLLOKOSA-N 315.377 1.531 0 40 DDAB COc1cc(CNCCNC[C@H](C)O)cc(Cl)c1OC 22076108 UKSJVIYCUMBXLH-JTQLQIEISA-N 302.802 1.417 0 40 DDAB O=C(O)[C@@H](F)[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 1548600006 VCQVQWLTDJWSQP-ABAIWWIYSA-N 323.320 1.272 0 40 DDAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)c1 409285438 WTUKOSVIUWMFOL-UMPJEAMMSA-N 315.325 1.537 0 40 DDAB C[C@@]1(NC(=O)c2noc3c2CCCCC3)CCS(=O)(=O)C1 124837268 WDYSJNKXDPMUIJ-CQSZACIVSA-N 312.391 1.251 0 40 DDAB CCCC(=O)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1 72341961 YDZRHYFTCWYXDS-CQSZACIVSA-N 315.377 1.393 0 40 DDAB CC(=O)N1CC[C@@H]1c1cc(N(C)CC2(C)COC2)nc(C)n1 72386988 BWEVFBYRKILNJO-CQSZACIVSA-N 304.394 1.551 0 40 DDAB CS(=O)(=O)c1cncnc1[C@H]1CCCN(c2ncccn2)C1 72356514 JRXDTZVRJKWPQU-NSHDSACASA-N 319.390 1.054 0 40 DDAB CCOC(=O)C(F)(F)[S@](=O)c1nc2ccccc2n1C 217576845 QSVJYLYRPVVZQJ-HXUWFJFHSA-N 302.302 1.837 0 40 DDAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2nccnc2C(N)=O)C1 73850126 JIGSZQPIEQHJDZ-OLZOCXBDSA-N 324.384 1.902 0 40 DDAB Oc1c([C@H](c2ccccc2)N2CCOCC2)sc2ncnn12 33384228 FYFIVJPFVRDBNE-LBPRGKRZSA-N 316.386 1.918 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2nccnc2Cl)CC1 72344271 UICWTSQMZHPEQS-SNVBAGLBSA-N 303.815 1.734 0 40 DDAB Cn1ncc2c(=O)[nH]c(NCCCOCc3ccco3)nc21 78874235 OOKNTGOKQCNSNY-UHFFFAOYSA-N 303.322 1.268 0 40 DDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)c(F)c1 77938172 FESXVUFKOSZJLG-NOZJJQNGSA-N 312.316 1.571 0 40 DDAB O=C(CN1C(=O)CNC1=O)Nc1ccc2c3c(cccc13)CC2 71813149 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Cc1cc(C(=O)NC[C@H]2CN(C)C[C@H]2c2cccs2)nn1C 230134479 FLZMKLBYTGRUQT-QWHCGFSZSA-N 318.446 1.865 0 40 DDAB Cc1nc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NC(C)C)C2)cs1 96253807 FOTTZHVIRFEBAW-HZSPNIEDSA-N 309.435 1.565 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)NC3CCCC3)OCC(=O)N2C)cc1 96181480 MAHRMWJKOJDKNI-IRXDYDNUSA-N 316.401 1.952 0 40 DDAB Cc1nc(CCCNS(=O)(=O)c2cncc(Cl)c2)n[nH]1 96484381 ONOQXXMGZPAUQF-UHFFFAOYSA-N 315.786 1.073 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1CC1CCOCC1 96062072 UVOWVTMEKTZFSB-CQSZACIVSA-N 315.421 1.931 0 40 DDAB COC[C@@H]1CCOC12CN(C(=O)COc1ccccc1OC)C2 247898112 VINBNOXMIYVOPF-ZDUSSCGKSA-N 321.373 1.338 0 40 DDAB O=C(NCc1cccnc1)[C@@H]1CN(C2CCC2)Cc2ccnn21 247465669 COBIYABTGRHDTH-INIZCTEOSA-N 311.389 1.504 0 40 DDAB CN(C)c1ncc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)cn1 252479422 BERYGRLVQHZDLS-CHWSQXEVSA-N 305.382 1.718 0 40 DDAB CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)c1C 257207012 BFXJXQOFFICWJK-GXTWGEPZSA-N 318.421 1.754 0 40 DDAB CN1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253480340 WEDLJPOUXKKRCL-DFGXFYAUSA-N 310.482 1.826 0 40 DDAB CNc1cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ccn1 257281365 OOVTWHBUXMIJSW-HNNXBMFYSA-N 318.421 1.162 0 40 DDAB Cn1ccnc1-c1nccnc1C[C@H]1CCN(c2ncccn2)C1 257302431 SCXVPGBOFVOFTL-CYBMUJFWSA-N 321.388 1.736 0 40 DDAB CCn1cc(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)cn1 257226439 FKPKBKYYRIJRAB-ZDUSSCGKSA-N 301.350 1.094 0 40 DDAB Cc1nc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)co1 257207572 BIIZSBJUAOZVGT-INIZCTEOSA-N 316.361 1.091 0 40 DDAB COc1ccc2[nH]c(C(=O)N3CC[C@](F)(C(=O)O)C3)cc2c1 263556778 ZGEHTYWATFBCNX-OAHLLOKOSA-N 306.293 1.815 0 40 DDAB CCc1nn(C)cc1N[C@H](C)C(=O)NC(=O)NCC(F)(F)F 274906429 JHRCVLPQBQMKKF-SSDOTTSWSA-N 321.303 1.171 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)[C@@H]2C[C@@H]2C)C3)n1 575404203 MRSMLDWBUCSNCR-IACUBPJLSA-N 317.389 1.580 0 40 DDAB O=C(C1CCC1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575406438 XCNDEVRMFNCTHO-CYBMUJFWSA-N 303.362 1.416 0 40 DDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NC3CC3)C2)c1 575404717 PJZAYNDVXFWCJN-INIZCTEOSA-N 324.384 1.667 0 40 DDAB CN(C)C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 585105451 WSXWEFKEJKIUPG-JTQLQIEISA-N 311.382 1.841 0 40 DDAB O=C(c1ccncc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775985976 MGYVTPJXLCDYIE-UHFFFAOYSA-N 310.357 1.288 0 40 DDAB O=C(CNc1ccccc1Cl)NC[C@H]1CCS(=O)(=O)C1 49478433 LQJVJDKXYWIYGO-SNVBAGLBSA-N 316.810 1.303 0 40 DDAB NC(=O)[C@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 52941947 DQEWRWYPWDQCPE-JTQLQIEISA-N 306.753 1.697 0 40 DDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N(C)C)c(F)c1 58357735 JBZZXYNQYYKORH-ZYHUDNBSSA-N 307.369 1.618 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 60489450 CVWLXPIOQIVHRS-UHFFFAOYSA-N 324.469 1.372 0 40 DDAB C=CC(=O)NCCNC(=O)c1ccc(F)c(Br)c1 80172740 FRJRAFAQJYHWAK-UHFFFAOYSA-N 315.142 1.620 0 40 DDAB C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)[C@@H]1C(=O)O 547923035 PFTGOVJADZIAID-ZANVPECISA-N 311.359 1.201 0 40 DDAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCO[C@@H](CN(C)C)C1 106787397 ZJSWPIUTXPZTIH-WBVHZDCISA-N 323.481 1.644 0 40 DDAB C[C@H]1CCN(CC(=O)Nc2nncs2)C[C@H]1n1ccnc1 108152180 ANBDWCPULNXNDH-WDEREUQCSA-N 306.395 1.256 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2cccnc2)no1 12390031 ILLZETPJKOJYIG-CYBMUJFWSA-N 310.313 1.595 0 40 DDAB CC(C)(C)C(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21 19082178 KPPDZIITGMEZDR-NSHDSACASA-N 316.409 1.066 0 40 DDAB Cc1cn(CC(=O)N2CCCC[C@@H]2CN2CCCCCC2)nn1 19238755 VFPOCCDPCJSSIM-MRXNPFEDSA-N 319.453 1.844 0 40 DDAB COC(=O)CCCCCCCC[C@H](O)CN1CCOCC1 19313912 VINMFNFSNXBJTF-HNNXBMFYSA-N 301.427 1.973 0 40 DDAB Cn1c(=O)c(=O)n(CC(=O)c2ccc(F)cc2)c2ccccc21 19625355 JDKSNYSGKCWTBK-UHFFFAOYSA-N 312.300 1.722 0 40 DDAB Cn1nccc1CN1CCO[C@H](c2ccc(-c3cc[nH]n3)cn2)C1 19692513 NVUKJTWJWZBVQM-KRWDZBQOSA-N 324.388 1.779 0 40 DDAB Cc1noc(CCC(=O)N2CC[C@H](C(=O)NC3CCCC3)C2)n1 19750509 UVLYRXFHVXFTFY-LBPRGKRZSA-N 320.393 1.218 0 40 DDAB Cc1ccn2c(O)c(C(=O)NCc3ccccn3)c(=O)nc2c1 164577301 JDFWQGNTMINBAI-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB C[C@@H](NC(=O)CN1CCCC1=O)c1ccc(-n2ccnc2)cc1 23785663 LKZGIUYJIOHLKU-CYBMUJFWSA-N 312.373 1.672 0 40 DDAB O=C(CSc1ccc2c(c1)OCCCO2)N1CCNC1=O 5365697 DLIGYUAOUISGGX-UHFFFAOYSA-N 308.359 1.492 0 40 DDAB CS(=O)(=O)/C=C/CNC(=O)c1ccc(OC2CCCC2)nc1 1889022319 MMWFMADGJQDLDO-ONNFQVAWSA-N 324.402 1.691 0 40 DDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc2ncccc2c1 238912493 SHPSQJFYAFZCKZ-AWEZNQCLSA-N 320.352 1.605 0 40 DDAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)C1CCOCC1 253408977 ZDWXYKVKSZDIDQ-OAHLLOKOSA-N 324.446 1.912 0 40 DDAB Cc1cc(C)cc(C(=O)N2CC[C@H]3CN(S(C)(=O)=O)C[C@H]32)c1 1565542155 XODFQMPSGLTKEK-DZGCQCFKSA-N 322.430 1.409 0 40 DDAB CC(C)(C)C(=O)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055745729 WYZKBARZSXGYPZ-NSHDSACASA-N 319.405 1.930 0 40 DDAB O=C(Cc1cccc2ccccc12)N1C[C@H]2C[C@H]1CS2(=O)=O 575616590 QZEFXSKIGCZELO-LSDHHAIUSA-N 315.394 1.780 0 40 DDAB CN(C)c1cc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)ncn1 2298171383 YTKTVXCKXOAFOH-LBPRGKRZSA-N 305.426 1.674 0 40 DDAB COC(CN(C)S(=O)(=O)c1c(C)cc(C)cc1C)OC 2741913 KSYCWUJZOPINGM-UHFFFAOYSA-N 301.408 1.851 0 40 DDAB CC(C)Cn1cc(C(=O)NCc2nnc(C3CCC3)n2C)cn1 97378212 YMJDENCXMYDYFI-UHFFFAOYSA-N 316.409 1.865 0 40 DDAB CCOc1ncccc1CNC(=O)CN1CCCCCC1=O 30308761 ATKSLVYMTGXNSH-UHFFFAOYSA-N 305.378 1.499 0 40 DDAB O=C(Nc1ccc(I)cc1)[C@H]1CCCN1 20362728 YQYNQDOMHGOMIQ-SNVBAGLBSA-N 316.142 1.982 0 40 DDAB CCc1cccc(NC(=O)NCCCNS(=O)(=O)CC)c1 51584355 XQDLTSNDNQRJPG-UHFFFAOYSA-N 313.423 1.700 0 40 DDAB CN(CC(N)=O)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 52832072 VGBIZLIXYDTCQN-KRWDZBQOSA-N 303.406 1.451 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cccnc1=O 42029093 KBTSWIXCIQWYCQ-UHFFFAOYSA-N 315.329 1.021 0 40 DDAB CN1C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2C1=O 356980 FAPITWYNUGYNTB-UHFFFAOYSA-N 306.277 1.713 0 40 DDAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N2CCOCC2)C1=O 423224 IWAUQXFUGKAUQD-AWEZNQCLSA-N 318.373 1.358 0 40 DDAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCNS(C)(=O)=O 47668598 LABOJFLCFGOBGX-NSHDSACASA-N 324.402 1.892 0 40 DDAB C[C@H](C(=O)NCCS(N)(=O)=O)c1ccc2ccccc2c1 79055604 CFFLAVWPOXMXAH-NSHDSACASA-N 306.387 1.348 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3csc(C)n3)CC2)no1 42749493 UUCMNPCWVDPWMI-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COCc1cccs1 24101828 GWBOYSQDBVEOIH-GFCCVEGCSA-N 323.414 1.945 0 40 DDAB CCOC(=O)Cn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21 4945579 XDOITTHTOUGHSY-NSHDSACASA-N 301.346 1.545 0 40 DDAB COC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 6950190 SIYWTKIDSHZEIO-XYOKQWHBSA-N 323.352 2.000 0 40 DDAB CC[C@H](NC(=O)NCCN1C[C@@H](C)O[C@H](C)C1)c1ccncc1 97010507 TUCYEPLGIWZENP-FMKPAKJESA-N 320.437 1.941 0 40 DDAB Cc1ccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1F 8389543 PKEYBAUKGZMYEW-UHFFFAOYSA-N 307.325 1.793 0 40 DDAB O=C(O)/C=C/c1cnc(NS(=O)(=O)c2ccccc2)nc1 8701467 IJUBICZOPJRLOA-VOTSOKGWSA-N 305.315 1.375 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)NCc1cccc(Cl)c1 3285090 PVUWNZZHSJMWKF-NSHDSACASA-N 315.826 1.746 0 40 DDAB C[C@@H](CNC(=O)N(C)[C@H](C)c1ccccn1)N1CCOC[C@@H]1C 106911409 UYIKDCVCAKLKQI-SOUVJXGZSA-N 320.437 1.893 0 40 DDAB O[C@@H](CNCc1ccco1)COCc1ccc2c(c1)OCO2 3293456 GHLXYKKRNXNDTN-ZDUSSCGKSA-N 305.330 1.676 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1 35362535 TZMMPHKMPRAFIR-UHFFFAOYSA-N 313.760 1.582 0 40 DDAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 9926538 DLZBMLGPMJCWDL-CYBMUJFWSA-N 320.320 1.254 0 40 DDAB O=C(O)CCCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O 100664093 ZDJUKAJXDZBLHX-XZSFVTMWSA-N 303.358 1.685 0 40 DDAB CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 58223581 IWFAATASWYSZBX-LSDHHAIUSA-N 316.401 1.897 0 40 DDAB Cn1nnnc1SCCC(=O)N[C@H]1CCc2ccccc2C1 58210867 IIRWBTFWCOQWCA-ZDUSSCGKSA-N 317.418 1.366 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H]1Cc2ccc(C)cc2S1 44942487 GEOFKKFSKNEBBA-ZDUSSCGKSA-N 302.403 1.940 0 40 DDAB Cc1nn(-c2nc(O)cc(-c3ccccc3)n2)c(O)c1CCO 101680505 ZJAKRSZXAKGUSW-UHFFFAOYSA-N 312.329 1.584 0 40 DDAB CCOC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC)c2)c1 58392374 XWBITGNLLNPOFU-UHFFFAOYSA-N 323.374 1.881 0 40 DDAB Cn1ncc2c(=O)n(Cc3cc(-c4ccccc4)on3)cnc21 10678834 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DDAB CSCC[C@H](NS(=O)(=O)c1ccc(F)cc1C)C(=O)O 37375330 MOXOTROQGQBOCX-JTQLQIEISA-N 321.395 1.619 0 40 DDAB CC(C)NC(=O)N1CCC(C(=O)NCCN2CCCCC2)CC1 47140650 YXIACGGLSGZGOZ-UHFFFAOYSA-N 324.469 1.419 0 40 DDAB COCCN1C(=O)N[C@H](c2ccccc2)C(C(=O)OC)=C1C 12974318 DTOOQGAIGJDBNZ-CQSZACIVSA-N 304.346 1.846 0 40 DDAB C[C@H](CNC(=O)c1cc(F)ccc1F)CN1CCN(C)CC1 72272936 HJQSSEYOSCFFRV-GFCCVEGCSA-N 311.376 1.578 0 40 DDAB C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(Cl)nc1 96012568 HFUJZMRDHYJUPQ-RBHXEPJQSA-N 310.828 1.123 0 40 DDAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC(N)=O 5175139 BZGIIZOAIWAKPM-SECBINFHSA-N 304.375 1.763 0 40 DDAB CCOc1ccccc1-n1nnc(C(=O)OC)c1C(=O)OC 4316606 GDWNIWUQHIJYMH-UHFFFAOYSA-N 305.290 1.239 0 40 DDAB NC(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 5240751 AVZXOBFBHQKZAV-UHFFFAOYSA-N 318.336 1.796 0 40 DDAB O=C(Nc1ccc(Cn2cccn2)cc1)N(CCO)CCCO 72309879 XWILBSYFSSGKDM-UHFFFAOYSA-N 318.377 1.140 0 40 DDAB Cn1c(CO)nnc1SCc1nc(-c2cccs2)n[nH]1 93904782 APRKFHQYECMIOI-UHFFFAOYSA-N 308.392 1.446 0 40 DDAB C[C@@H]1CN(C(=O)CCn2cc(Br)cn2)C[C@@H](C)O1 27968849 FKGJZIUOZVOFJN-NXEZZACHSA-N 316.199 1.672 0 40 DDAB CCCNC(=O)CN(C)C(=O)/C=C/c1cc(OC)ccc1OC 16012883 YHJIPJCNQHMHQI-RMKNXTFCSA-N 320.389 1.702 0 40 DDAB CN1CCN([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)O)CC1 20432494 BHCBJJGOEHGPJQ-ZDUSSCGKSA-N 310.781 1.613 0 40 DDAB COC[C@@H](C)N1C[C@H](C(=O)N2CCc3ccccc32)CC1=O 8234961 FDACGUGQXRYZKW-TZMCWYRMSA-N 302.374 1.459 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)CC[C@@H]1CCCO1)C2 71860212 LFULQYPJSYIZEC-ZDUSSCGKSA-N 304.394 1.387 0 40 DDAB CSCc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 71890115 FHZYIOAPLDQESU-UHFFFAOYSA-N 302.421 1.380 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cnc(C3CC3)s1)C2 69490363 HBYYPFNCNFVDQI-UHFFFAOYSA-N 303.391 1.830 0 40 DDAB C[C@H](NC(=O)Cc1cccc(Br)c1)c1nncn1C 69493817 IHRDUTXABFSMFE-VIFPVBQESA-N 323.194 1.998 0 40 DDAB O[C@H](CN1CCn2c(nnc2C2CC2)C1)c1ccc(F)cc1F 71880315 MUJPFTKNDLGDOX-CQSZACIVSA-N 320.343 1.983 0 40 DDAB CN1CCC(N(C)CCN(C)C(=O)NCc2ccncc2)CC1 69740703 KLQBCDQBLLOUSQ-UHFFFAOYSA-N 319.453 1.249 0 40 DDAB NC(=O)[C@@H](CNC(=O)COC1CCCC1)Cc1ccc(F)cc1 71841527 ASUFXIIVCVCPTE-CYBMUJFWSA-N 322.380 1.545 0 40 DDAB C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H](C(N)=O)O1 92007440 ASVHTRHKSDEISW-PRHODGIISA-N 320.286 1.919 0 40 DDAB CCc1nc(CC(=O)NCCC(=O)Nc2ccncc2)cs1 69844183 HENIFYYHVFMDGK-UHFFFAOYSA-N 318.402 1.788 0 40 DDAB CN(C)c1ncnc2c1CN(C[C@H](O)c1ccc(F)cc1)CC2 97202433 ZSHJDHKIIQMSIP-INIZCTEOSA-N 316.380 1.773 0 40 DDAB c1ncn(C[C@H]2CCCN(Cc3nc(-c4ccoc4)no3)C2)n1 69848060 RXGCDOTZHUYJNW-LBPRGKRZSA-N 314.349 1.833 0 40 DDAB O=C(COCC(=O)Nc1ccc(F)cc1)NCc1ccco1 9668365 IHPIKLQLRGARSV-UHFFFAOYSA-N 306.293 1.690 0 40 DDAB CC(=O)c1cc(C(=O)Nc2cncnc2N2CCCC2)n(C)c1 97376779 GMKCEEKJCACKAP-UHFFFAOYSA-N 313.361 1.870 0 40 DDAB CN1CCCc2ccc(S(=O)(=O)N[C@H](CN)C3CC3)cc21 95432132 UCHWXDLNBHERMO-CQSZACIVSA-N 309.435 1.085 0 40 DDAB CC(=O)N(C)CC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984646 RTSUDVDWKUMPFJ-HIFRSBDPSA-N 310.781 1.765 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCO[C@@H]3CCC[C@H]32)c(=O)[nH]1 75122530 QTGRACGTFCPGRW-ZIAGYGMSSA-N 305.378 1.455 0 40 DDAB CCCOc1ncccc1CNC(=O)c1ccc(C)[nH]c1=O 75124051 YAWBEACYIMDNHW-UHFFFAOYSA-N 301.346 1.797 0 40 DDAB CCc1nsc(N2CCN(Cc3noc(CC)n3)CC2)n1 76061917 YFLNWSAYGFHJFR-UHFFFAOYSA-N 308.411 1.368 0 40 DDAB COC[C@@H](O)CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76059678 ICBKLMQPHYBDHC-UWVGGRQHSA-N 307.316 1.615 0 40 DDAB O=C(COc1ccc2c(c1)OCO2)NCCc1ccc(O)cc1 27935349 VNDLRWUFQFGHPM-UHFFFAOYSA-N 315.325 1.859 0 40 DDAB CCOCCCNC(=O)C(=O)NCCCCc1ccccc1 408707558 OJAQKENILGKEQP-UHFFFAOYSA-N 306.406 1.668 0 40 DDAB Cn1nnc2cc(C(=O)N3[C@H]4CC[C@H]3[C@H](C(=O)O)C4)ccc21 519161432 GZFWFHFHUMDHPJ-UMNHJUIQSA-N 300.318 1.046 0 40 DDAB CCc1ocnc1C(=O)NC[C@H]1CN(C[C@H](C)CC)CCO1 1035320645 RIEOJGMJGDJKCZ-OLZOCXBDSA-N 309.410 1.714 0 40 DDAB COc1ccc(NC(=O)Cc2noc(CCC(=O)O)n2)cc1 78400985 JBJCCAACODTYSB-UHFFFAOYSA-N 305.290 1.277 0 40 DDAB CCc1nc(CNc2cc([C@@H]3CNCCO3)nc(C)n2)no1 72387881 VMWDHXKEDMQBSW-NSHDSACASA-N 304.354 1.003 0 40 DDAB O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)[C@H]1CCCO1 71195896 JWWWHOKDCUCAJP-DZGCQCFKSA-N 312.373 1.940 0 40 DDAB COCCOCC(=O)N1CCC[C@H]1Cc1ccccc1OC 79320866 BDZMKTBQDOBRNL-HNNXBMFYSA-N 307.390 1.892 0 40 DDAB Cc1cc(=O)[nH]c(CSc2nnc(-c3cc(C)n(C)n3)o2)n1 72242866 SPIMMJYMQSZKAX-UHFFFAOYSA-N 318.362 1.463 0 40 DDAB C[C@H](N)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1 79393041 IUZHYJCOPAMWBY-LBPRGKRZSA-N 305.378 1.251 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71283916 YIWQSSJMMPKSQF-GHMZBOCLSA-N 307.302 1.689 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)N[C@H](C)C2)cc1OC 70077067 CQAPLVDBTHMURS-PHIMTYICSA-N 314.407 1.075 0 40 DDAB CN(C)C(=O)CCNC(=O)c1cc(-c2ccc(F)cc2)on1 134304214 BTMGCGMCCNTHIX-UHFFFAOYSA-N 305.309 1.689 0 40 DDAB NCC(=O)N(C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392979 BOGMAWYXBSOEML-HNNXBMFYSA-N 317.389 1.347 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2ccc3ncccc3c2)CCO1 72379659 FXYMVTVLDPHTGM-GOSISDBHSA-N 313.401 1.914 0 40 DDAB CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@]2(CNCCO2)C1 1577184336 GSTVVGBNKTZJPT-WMLDXEAASA-N 322.380 1.574 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 195530287 WIPBLZGWJNOECV-GHMZBOCLSA-N 322.327 1.425 0 40 DDAB COc1ccccc1CN(C)C(=O)Cn1cc(F)ccc1=O 190751505 JACXSBOPJXMQQB-UHFFFAOYSA-N 304.321 1.655 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 42646710 NCHAMANBQXIMEX-UHFFFAOYSA-N 305.422 1.991 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 82315218 DJKZJBBWCZZYBH-CQSZACIVSA-N 305.397 1.816 0 40 DDAB CC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225683374 CFWPTPLKNSGVOO-CYBMUJFWSA-N 312.435 1.671 0 40 DDAB Cn1cc(CN2CCC3(CC2)CCN(CC2CC2)C3=O)cn1 96157807 XZXNFSULEZMVGE-UHFFFAOYSA-N 302.422 1.645 0 40 DDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cccnc2)o1 96115281 BFJPLPLEYCKSQW-GFCCVEGCSA-N 319.313 1.582 0 40 DDAB biogenic O=C(O)[C@@H]1CCN(c2cc(C(F)(F)F)nc3ncnn23)C1 96515946 JQFYPHJDXRVPHW-ZCFIWIBFSA-N 301.228 1.054 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@@H]2C1 96058434 PUTLHEDNOMOLJZ-HZPDHXFCSA-N 308.447 1.684 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96043229 UUPSIPMVNDMAQE-MAZHCROVSA-N 308.422 1.314 0 40 DDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(c3ncc(F)cn3)C2)C1 96216250 NDQUYKMDKHEQMH-WMLDXEAASA-N 320.412 1.800 0 40 DDAB Cc1nc(N2CCOCC2)nc2c1CN(C(=O)NC(C)C)CC2 96253894 BGRIBQQYQNCSFN-UHFFFAOYSA-N 319.409 1.098 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@H](OC)c1cccc(F)c1 96387998 RRIQVRAJFCYABE-CYBMUJFWSA-N 307.325 1.685 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C1 96192276 ZRUSNWDZUVRXAA-FRRDWIJNSA-N 304.394 1.278 0 40 DDAB CN(C)C(=O)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96110428 LXNJDOSOKHWXKX-CJNGLKHVSA-N 305.378 1.623 0 40 DDAB CCOC(=O)[C@@H]1C[C@H](C)[C@](C(=O)OCC)(S(=O)(=O)CC)C1 242390228 AFRYOMGRENBVHP-MISXGVKJSA-N 320.407 1.332 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 257238093 HJOFOOUGYHKWGF-CYBMUJFWSA-N 304.394 1.295 0 40 DDAB COc1cccc(CN2CCN(c3cc(OC)ncn3)CC2)c1 184069011 XGNSXYPEGFAJIV-UHFFFAOYSA-N 314.389 1.816 0 40 DDAB Cn1ccnc1C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257251848 JSMWHQFBKAVMRN-RBSFLKMASA-N 315.373 1.511 0 40 DDAB COCC(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 253472986 QWGZESQTTMZQRP-KGLIPLIRSA-N 301.346 1.734 0 40 DDAB C[C@]12CCCCN(S(=O)(=O)c3cccnc3)[C@H]1CCC(=O)N2 257269905 MRXNGJRUKLPAQO-ZFWWWQNUSA-N 323.418 1.294 0 40 DDAB CCn1cc(-c2noc(CNC(=O)[C@H](C)n3cccn3)n2)cn1 390829118 CTYPAOKYCQPIQR-JTQLQIEISA-N 315.337 1.027 0 40 DDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)CC(C)C)C3)n1 575406136 WNCCZYBIUUGLAT-AWEZNQCLSA-N 319.405 1.970 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406480 XNRHYYZCRBQLRH-UONOGXRCSA-N 318.373 1.257 0 40 DDAB Cn1ccc(C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)n1 575615215 BEPHTEFBWBODDL-UHFFFAOYSA-N 322.409 1.651 0 40 DDAB CCN(CC)C[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 585095483 ZIMYGHWCHUWMIF-CQSZACIVSA-N 314.393 1.212 0 40 DDAB COCc1nnc2n1CCN(Cc1ncccc1C)[C@@H](C)C2 585098490 UBVCOJXZZWGRFJ-ZDUSSCGKSA-N 301.394 1.575 0 40 DDAB COCCN1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C1=O 585107813 CFXNSSPXENBCIM-HOCLYGCPSA-N 316.401 1.562 0 40 DDAB CSCC(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@H]1C 585096419 NAEPAXQWCULSRN-SNVBAGLBSA-N 310.423 1.288 0 40 DDAB COc1cc(CNC(=O)c2ccoc2)ccc1OCC(N)=O 65467370 RFJIHCWNBLERSQ-UHFFFAOYSA-N 304.302 1.082 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2CCC(=O)N2CCOCC2)n1 70004308 IZLBMIWOOJTOGB-MRXNPFEDSA-N 320.437 1.213 0 40 DDAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCO 35109400 ZPMFESVCPGZZFH-SECBINFHSA-N 302.168 1.715 0 40 DDAB CCc1c[nH]c2ncnc(N3CCN(C(=O)C(C)C)CC3)c12 891502857 BFFWNGKGYXESGP-UHFFFAOYSA-N 301.394 1.825 0 40 DDAB CN(C)C(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1 58505206 NIPNSGUFPDZJNT-UHFFFAOYSA-N 324.469 1.372 0 40 DDAB CCOC(=O)c1cnc(SCCCN2CCCC2=O)nc1N 58166234 GXEMZNGVKZSGJH-UHFFFAOYSA-N 324.406 1.340 0 40 DDAB CN(CCCc1cc(-c2ccccc2)n(C)n1)S(C)(=O)=O 40555333 HRPIVRIQCLTNFA-UHFFFAOYSA-N 307.419 1.911 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 42366684 XLEKUPMLKRDCEK-QWHCGFSZSA-N 316.361 1.030 0 40 DDAB Cc1cncnc1N1CCN(Cc2cn3ccccc3n2)CC1 641269132 RJIZUQFKLYMANZ-UHFFFAOYSA-N 308.389 1.755 0 40 DDAB O=S(=O)(NCC1(O)CSCCSC1)c1ccccc1 1888875817 HLHBVANAYFZQMP-UHFFFAOYSA-N 319.473 1.176 0 40 DDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccs1 5675159 PICVBDUEOVHHQK-LBPRGKRZSA-N 305.355 1.968 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 16552160 CLIWOKSOYWCYRK-DGAVXFQQSA-N 305.330 1.820 0 40 DDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 17030666 DIEFOYIXBBLDHW-CBBWQLFWSA-N 301.342 1.992 0 40 DDAB CCc1cc(CNS(=O)(=O)c2cn(C(F)F)nc2C)on1 19522835 OAHDZBHCHVUQAJ-UHFFFAOYSA-N 320.321 1.616 0 40 DDAB CO[C@H]1[C@H](CNC(=O)Cc2ccccc2F)COC[C@H]1OC 643585448 LULBHMBHDLNPJJ-XPKDYRNWSA-N 311.353 1.161 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3c(s1)CCC3)C2 12155812 XRQDIXDYEWQDGT-UHFFFAOYSA-N 315.398 1.827 0 40 DDAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc2nccnc2c1 244970234 HORBSGJBOJTOOW-UHOFOFEASA-N 313.357 1.696 0 40 DDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)C(C)C)C[C@H]4C3)n1)CCC2 1888844525 DGKJFWGUHCHPHY-ZIAGYGMSSA-N 314.433 1.824 0 40 DDAB COC[C@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373182 IPZUUTPHPQQELG-KBPBESRZSA-N 319.405 1.743 0 40 DDAB O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1cccc(F)c1 5258660 GQVGHNPYJABBQZ-AWEZNQCLSA-N 317.320 1.792 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](NCc1nccs1)CC2 2055745478 CKDSCCRSFRCFLT-SNVBAGLBSA-N 320.418 1.916 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)Cn1cccn1)CC2 38680031 IDTQWIHVKQFLQL-UHFFFAOYSA-N 301.346 1.485 0 40 DDAB O=C(N1CC(Nc2ncccn2)C1)C1(c2ccc(F)cc2)CC1 245053573 PAPOUBKDIBTUOI-UHFFFAOYSA-N 312.348 1.970 0 40 DDAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1=COCCO1 30479939 XQVSGVCBTFTYSE-UHFFFAOYSA-N 302.330 1.749 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc2c(c1)OCCCO2 31394016 WTNPAPFTRJYSMW-GFCCVEGCSA-N 301.346 1.863 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OC)c2)o1 31520466 ZKGYEGNAHYIJFL-UHFFFAOYSA-N 324.358 1.126 0 40 DDAB CCCC(=O)NCC(=O)N1CCN(c2cccc(OC)c2)CC1 40511879 KNITXZGJNKGRAU-UHFFFAOYSA-N 319.405 1.260 0 40 DDAB O=C(NCCCN1CCOCC1)c1c(Cl)nc2ccccn12 40538597 AOCHKTJDHWWPAE-UHFFFAOYSA-N 322.796 1.440 0 40 DDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N[C@@H](C)CO 40541415 MGOMCUBWISSZCM-JTQLQIEISA-N 306.341 1.500 0 40 DDAB COc1ccc(CN(C)C(=O)Cn2cccnc2=O)cc1F 32703715 RDJSYQOPWSFVQC-UHFFFAOYSA-N 305.309 1.050 0 40 DDAB NC(=O)C1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 32823549 CXPJOKJTRFYRNR-UHFFFAOYSA-N 320.776 1.840 0 40 DDAB Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)O)cn2C 21729440 WSQLIEMGQMCDED-UHFFFAOYSA-N 301.277 1.870 0 40 DDAB O=C(NC[C@@H]1CCOC1)c1cccnc1OCC(F)(F)F 41366931 AHKDNAYRSHJSBQ-VIFPVBQESA-N 304.268 1.789 0 40 DDAB O=C(NCc1ccnc(OC2CCCC2)c1)c1cccc[n+]1[O-] 52821505 VRANKSSARSIQCN-UHFFFAOYSA-N 313.357 1.966 0 40 DDAB C[C@H](NC(=O)c1ccc(O)nn1)c1ccc(-n2cncn2)cc1 22764074 RPMLVICZRPQISO-JTQLQIEISA-N 310.317 1.254 0 40 DDAB O=C(CC(=O)N1CCOCC1)Cc1cc(F)c(F)cc1F 1857794613 CWJFNGNEUPHUID-UHFFFAOYSA-N 301.264 1.464 0 40 DDAB C[C@@H]1COC2(CCN(c3nnnn3-c3ccccc3)CC2)O1 77986343 HSPXCNSGJFLTNK-GFCCVEGCSA-N 301.350 1.394 0 40 DDAB COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 78788710 VXUKCDCMUKFTQK-HZPDHXFCSA-N 304.390 1.366 0 40 DDAB Cc1cccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1C(N)=O 79048362 CHYPQDHWZXRSFM-SNVBAGLBSA-N 315.295 1.669 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 1575979 RSSOZTMMMIWOJB-WCQYABFASA-N 320.345 1.377 0 40 DDAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCOC)C1=O 3907331 GDKULRIIPKVDFT-ZDUSSCGKSA-N 306.362 1.262 0 40 DDAB COc1c[nH]c(C(=O)Nc2nc3c(s2)CCCC3)cc1=O 61721362 CIVYWIQAYQWGCL-UHFFFAOYSA-N 305.359 1.971 0 40 DDAB COc1ccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4280025 JUFOAWPHYZTOMH-UONOGXRCSA-N 322.361 1.246 0 40 DDAB CC(=O)N[C@@H]1[C@@H](O)O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@H]1O 4531083 DGWGXCQMDPSJJC-BPXZUEPWSA-N 305.374 1.153 0 40 DDAB COc1cc(CCC(=O)NCCc2cnn(C)c2)cc(OC)c1 42729800 JGEFLKAYOYIFLP-UHFFFAOYSA-N 317.389 1.729 0 40 DDAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)NC(N)=O)cc1 6654263 SINBBYIPJDDZME-VIFPVBQESA-N 319.390 1.560 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C[C@@H](O)Cn2cccn2)n1 106929758 OWCIJWZRLQLOFT-IAGOWNOFSA-N 317.437 1.612 0 40 DDAB Cn1nc(C(C)(C)C)cc1NC(=O)N1CCC(C(N)=O)CC1 43597975 UNKMHMVESMXLJW-UHFFFAOYSA-N 307.398 1.447 0 40 DDAB CCCc1noc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1 12587872 KCDQAVXPKLPLQJ-UHFFFAOYSA-N 322.390 1.232 0 40 DDAB O=C(c1ccc(NC2CC2)nc1)N1CCN(c2ncccn2)CC1 57181244 DOMSXLVTHIWDNG-UHFFFAOYSA-N 324.388 1.408 0 40 DDAB O=C(NC1CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 26520550 GDUFPHIDEHRCMJ-CQSZACIVSA-N 308.403 1.508 0 40 DDAB CCc1ccc(NS(=O)(=O)c2cnn(C)c2)c(C(=O)OC)c1 57820886 QVYGJXFUURDARM-UHFFFAOYSA-N 323.374 1.570 0 40 DDAB O=C(O)CN1CCN(c2ccc(Br)cn2)CC1 58022148 WHZIIAXCMHTVFY-UHFFFAOYSA-N 300.156 1.051 0 40 DDAB CCN(Cc1ccco1)C(=O)c1cn2nc(C)cc2nc1O 58166449 NYUWZZPZROIVKM-UHFFFAOYSA-N 300.318 1.999 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(n2cncn2)CC1 58157646 WWUBUNYALZJFGT-UHFFFAOYSA-N 315.333 1.876 0 40 DDAB CC[C@@](C)(CNc1ccc2nnc(C)n2n1)N1CCOCC1 58173150 LOGYYXZFHPALMA-HNNXBMFYSA-N 304.398 1.346 0 40 DDAB CCONC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 44891603 OZZSGSZNNIJHMC-UHFFFAOYSA-N 309.343 1.935 0 40 DDAB COCCOc1ncccc1C(=O)NC[C@H]1CCN(C(C)C)C1 58210810 HGBMVIZAFKZFPW-CQSZACIVSA-N 321.421 1.567 0 40 DDAB CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)c1nnc2ccccn12 58281104 LQMUGIIWPIZMDQ-FRRDWIJNSA-N 317.393 1.999 0 40 DDAB O=C(COc1ccccc1)NCc1nncn1-c1ccccc1 44917076 XZVYOKXAVNXFCJ-UHFFFAOYSA-N 308.341 1.963 0 40 DDAB C[C@H]1COCCN1C(=O)CN1C(=O)CCOc2ccccc21 44912545 KEHITDQBJLKVQH-LBPRGKRZSA-N 304.346 1.049 0 40 DDAB O=C1OCC[C@H]1N1CCN(c2nc3ccccc3s2)CC1 44977418 FJRNQVHUWJAEDW-GFCCVEGCSA-N 303.387 1.734 0 40 DDAB CC(=O)N[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)C(C)C 12757186 XMBWGLXKVYUTIT-XJKSGUPXSA-N 320.389 1.446 0 40 DDAB CCCCNC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449785 NOHRQVYWQUJXEV-CMDGGOBGSA-N 314.407 1.601 0 40 DDAB COCCN1CC[C@H](CNC(=O)C2(c3ccc(F)cc3)CC2)C1 58427458 HZSNWILKHQWCRC-CQSZACIVSA-N 320.408 1.942 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CNC(=O)[C@H]1C[C@@H]1C 48368535 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DDAB Cc1ccc([C@H](O)CN2CCN(c3cnccn3)CC2)cc1C 71828132 ZTJIARCLTKMELP-QGZVFWFLSA-N 312.417 1.949 0 40 DDAB Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)[nH]n1 96406486 LKFGXGZUUUHIKA-HNNXBMFYSA-N 312.373 1.986 0 40 DDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCn3c(C)nnc3C2)cc1 69655116 RNQCOYFUPGDFNV-GJZGRUSLSA-N 312.373 1.741 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCCC2=O)c(F)c1 69706469 FFEKYAPTUWYMSV-LLVKDONJSA-N 314.382 1.423 0 40 DDAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)C(=O)Nc1nccs1 69846721 LTOADZOHDCMXBO-MNOVXSKESA-N 317.370 1.763 0 40 DDAB Cc1cc(NC(=O)CCN2CCC[C@@H]2Cn2cncn2)no1 69969477 BEVNQOOHZFUMDU-GFCCVEGCSA-N 304.354 1.068 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CCS1 69980615 HUIFVFSOUHYDMP-WDEREUQCSA-N 316.492 1.898 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 72298522 MYFNZTSUQROHRM-ZBFHGGJFSA-N 311.385 1.935 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 97199013 SVVODOVTFRGRCH-LLVKDONJSA-N 303.366 1.751 0 40 DDAB CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCNC(=O)C1 97138385 NNJBZJSTBVDSCS-HZPDHXFCSA-N 318.417 1.558 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc3nnnn3c2)C12CCCC2 95411779 UTZICJUKCLASDK-CHWSQXEVSA-N 315.377 1.592 0 40 DDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)NCc1ncnn1C 95404507 YQAKKIWCTNOIQM-SNVBAGLBSA-N 307.785 1.899 0 40 DDAB CCN1CCN(CCC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 98015780 IKZRBFGWTHKVJD-UAGQMJEPSA-N 323.481 1.334 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@H]1CCCC[C@@H]1O 88622550 AQIJALHRDWULMA-GJZGRUSLSA-N 315.377 1.370 0 40 DDAB Cc1noc(C)c1CNC(=O)NC[C@@H](CO)Cc1ccccc1 95955236 QYONHZRALWUYJQ-HNNXBMFYSA-N 317.389 1.942 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nnc(C(C)C)o3)CCO2)n1 75132205 OBRJUAYDMYQAOF-ZDUSSCGKSA-N 320.397 1.302 0 40 DDAB Cc1cccc(NC(=O)NC(=O)CN(C)C[C@@H]2CCOC2)c1C 75105036 YSQBOUAVEQGSNE-AWEZNQCLSA-N 319.405 1.920 0 40 DDAB COC(=O)c1ccc(Cn2cccc(-c3nc(C)no3)c2=O)o1 75166090 IOOPWKOKZRFURM-UHFFFAOYSA-N 315.285 1.635 0 40 DDAB O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CSc2ccccc2O1 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CC(C)(C)NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1 38884210 JPINIUGCJZHWBK-UHFFFAOYSA-N 303.337 1.959 0 40 DDAB COCCNC(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 69708903 JLMXQYUOQBUZNE-AWEZNQCLSA-N 311.426 1.313 0 40 DDAB COCc1nc(N2CCOCC2)ncc1C(=O)NC1CCCC1 72265519 NVHXFGNEIHSQOR-UHFFFAOYSA-N 320.393 1.132 0 40 DDAB Cc1cccc(CSCC(=O)NCCN2CCOCC2)c1 48090288 UTVVHMZRCWXWQA-UHFFFAOYSA-N 308.447 1.677 0 40 DDAB CCc1nccn1[C@H]1CCCN(c2ncnc(N)c2OC)C1 568244061 ZISQGMZAQFBCNO-NSHDSACASA-N 302.382 1.668 0 40 DDAB COC[C@@H](C)S(=O)(=O)NCc1noc(-c2ccccc2)n1 193708626 ICOXXUDKTVPBHS-SNVBAGLBSA-N 311.363 1.191 0 40 DDAB CCN(CC)C(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225882330 ODPPMAWMCSKNFJ-UHFFFAOYSA-N 305.425 1.329 0 40 DDAB Cn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cn1 79260105 LOIHFJBCDIIROF-CQSZACIVSA-N 307.375 1.182 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccncc2)C1=O 44893170 ZPNVTVVTLBUCBM-LBPRGKRZSA-N 311.341 1.512 0 40 DDAB C[C@H](CC(=O)c1cccs1)NC(=O)c1ccn(C)c(=O)c1 96487240 YUNWXZSILBTCBL-SNVBAGLBSA-N 304.371 1.838 0 40 DDAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCN(C)CC3)C2)cc1 96192807 OKADFBGZSOCJNR-KRWDZBQOSA-N 317.389 1.352 0 40 DDAB O=C(c1ccco1)N1CCCn2nnc(COCC3CC3)c2C1 96258987 VVOYQSNMCKYICP-UHFFFAOYSA-N 316.361 1.844 0 40 DDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccco2)C3)CC1 96061795 HPIGBNHEILLEGG-UHFFFAOYSA-N 315.421 1.239 0 40 DDAB Cc1nc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)cs1 96430139 ZKVPDPHJXVWFKP-CQSZACIVSA-N 302.359 1.814 0 40 DDAB O=C(c1cnc2n1CCN(C1CCOCC1)C2)N1CCCC1 96198679 QNRRGKZBUTTZCI-UHFFFAOYSA-N 304.394 1.114 0 40 DDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1)N1CCCCO1 96083180 XHRLQKDXESLRGH-OAGGEKHMSA-N 320.389 1.956 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3CCc2ccccc2)cn1 96184556 NXNMNJFHKPUPNJ-MSOLQXFVSA-N 324.428 1.952 0 40 DDAB c1cnc(N[C@@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96048359 XYKSXVAPKGIRSQ-BBRMVZONSA-N 312.377 1.507 0 40 DDAB COC(=O)/C(=C\N(C)C)S(=O)(=O)c1ccc(Cl)cc1 96511690 OWTCUPWKGKZOMK-DHZHZOJOSA-N 303.767 1.690 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccsc3)CCO2)C1 96049743 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O=S(=O)(Cc1ccccc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257207437 BHSOUVUBQGDHHQ-GJZGRUSLSA-N 311.403 1.132 0 40 DDAB c1cc2c(C[C@H]3COCCN(c4ccncn4)C3)nccn2c1 257275066 NNTRNOXBQPMSGH-CQSZACIVSA-N 309.373 1.820 0 40 DDAB CC1(C)COc2c(C(=O)NCCc3nc(=N)[nH]o3)cccc21 577969900 ZNIAZCLMRMEXAS-UHFFFAOYSA-N 302.334 1.125 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575406699 ZXLNTNVWFBVBOP-CQSZACIVSA-N 322.430 1.721 0 40 DDAB C[C@@H]1C[C@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CCN1C 585140911 LEKZJCFTINEGJU-TZMCWYRMSA-N 322.453 1.948 0 40 DDAB O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccco1 71902962 VMQPRWSROLOHAX-UHFFFAOYSA-N 322.333 1.274 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1 72231811 SOHKCFFAGFRQSU-UONOGXRCSA-N 323.393 1.670 0 40 DDAB Cc1nnc(CN2CCC[C@@H](COc3ncccn3)C2)n1C 1775995040 QBHAPECERGLRPN-CYBMUJFWSA-N 302.382 1.205 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@H](COc3ncccn3)C2)cn1 1775995131 DBEPDOFSYSJLBE-ZDUSSCGKSA-N 313.361 1.506 0 40 DDAB COc1c(CNCc2ccc(S(C)(=O)=O)cc2)c(C)nn1C 58407328 BVYLGGGTUKQBHA-UHFFFAOYSA-N 323.418 1.430 0 40 DDAB CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)Cc1ccccc1 74760095 CAFNKTHINKOAQG-HRCADAONSA-N 306.406 1.847 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)Cc2cc3ccccc3nc2O)C1 547328511 YODIQGZJNVXHNY-GFCCVEGCSA-N 314.341 1.806 0 40 DDAB O=S1(=O)C[C@H]2CN(Cc3ccccc3)C[C@@H](C1)C2(F)F 98209996 ZJKVVVXDFHTPLT-BETUJISGSA-N 301.358 1.798 0 40 DDAB Cc1nc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)no1 663600856 ZERPDGPRSMWWQT-UHFFFAOYSA-N 316.409 1.788 0 40 DDAB COc1ccc(S(=O)(=O)N2CC(N3CCCC3)C2)cc1F 1260659742 PNBOTEQHOVYGHC-UHFFFAOYSA-N 314.382 1.303 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)c2ccc3ncsc3c2)C1 1548496893 NYJPAHXUIBHMBL-OAHLLOKOSA-N 305.403 1.435 0 40 DDAB CCc1cnc2c(c1NCc1ccco1)c(=O)n(C)c(=O)n2C 12227047 GJJYIZIVTSBZIE-UHFFFAOYSA-N 314.345 1.400 0 40 DDAB Cc1cc(C)n(CC(=O)N2CC(C(=O)N3CCCCCC3)C2)n1 19747454 SUVQOCBXOZYOFA-UHFFFAOYSA-N 318.421 1.361 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 225660990 ADVXFUINSJQFCE-ZDUSSCGKSA-N 318.402 1.684 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)N1CCOCC1 245187572 ZPBQTWUYBQQQEQ-JOCQHMNTSA-N 306.366 1.208 0 40 DDAB CCc1ncnc(O[C@H]2CCN(C(=O)C3CCOCC3)C2)c1F 253473741 YBECJRRMGRYCHP-LBPRGKRZSA-N 323.368 1.584 0 40 DDAB Cc1nc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1F 1889125178 DHPGYGNRTJPOJW-UHFFFAOYSA-N 314.364 1.882 0 40 DDAB Cc1ncc(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)cn1 2056224534 LPNWDOKSMQWBCJ-CQSZACIVSA-N 318.446 1.581 0 40 DDAB CNC(=O)c1cnc2n1CCN(Cc1ccc(F)c(F)c1)C2 1204225168 VZIURKRSKCXGQV-UHFFFAOYSA-N 306.316 1.537 0 40 DDAB CC(C)CN1CCC2(C1)CN(C(=O)Cc1ccc(F)cn1)C2 1072860972 QESXTYJZTWFKGE-UHFFFAOYSA-N 305.397 1.954 0 40 DDAB O=C(Cc1ccsc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1565523223 IDVBYEQDKHPHTE-UHFFFAOYSA-N 320.349 1.095 0 40 DDAB Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@@H]2c1cccc(F)c1 4728105 VASLUCKVQDOJHE-SNVBAGLBSA-N 313.292 1.041 0 40 DDAB O=C(NCc1nc2ccccc2[nH]1)c1nc(-c2cnccn2)no1 42381579 RCOMCZJMHIXRQH-UHFFFAOYSA-N 321.300 1.333 0 40 DDAB Cc1nccc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 575611695 GCXJHAHTCKTXMG-LBPRGKRZSA-N 320.374 1.022 0 40 DDAB CC(=O)O[C@H]1C[C@@H](C)[C@@H]2[C@@H](O)[C@H](O)[C@@]3(C)CC(C)(C)[C@H]1[C@]23O 40404872 XEUSNZUHUUORTO-SJSNFWCWSA-N 312.406 1.093 0 40 DDAB biogenic,in-vitro O=C(N[C@@H]1CCCCNC1=O)c1ccc(Br)s1 40218096 VUAUEIVCQYKBKL-SSDOTTSWSA-N 317.208 1.909 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 40542839 HHXONUXNPCTUMA-LLVKDONJSA-N 314.407 1.243 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 40527733 YOUVQGOFIKKATK-QWRGUYRKSA-N 315.439 1.690 0 40 DDAB Cc1cccc(C(=O)N2CCN(Cc3cnn(C)c3C)CC2)c1 20608412 AIWLMRQADGNFKQ-UHFFFAOYSA-N 312.417 1.995 0 40 DDAB O=S(=O)(NCCN1CC=CC1)c1ccc(Cl)cc1F 101416451 WXZHYJYQHDPVOD-UHFFFAOYSA-N 304.774 1.629 0 40 DDAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1nc2ccccc2s1 32912461 ZXPGDXWBASTHIN-PSASIEDQSA-N 308.384 1.446 0 40 DDAB CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C)c1ccc(F)cc1 53088598 YFJIGMCMGQTAFO-LBPRGKRZSA-N 319.380 1.806 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@H]2CCC[C@H]21 53373095 SSVQSQWAUREFJR-NEPJUHHUSA-N 319.386 1.238 0 40 DDAB C[C@H]1CN(Cc2ccccc2)CCCN1CCC(=O)NC(N)=O 77371528 JVFOGAYQMXDZKY-AWEZNQCLSA-N 318.421 1.168 0 40 DDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C(N)=O 79060329 FADDWMXCRPRPMA-TVQRCGJNSA-N 310.375 1.611 0 40 DDAB CSCSC[C@H](CO)NS(=O)(=O)c1ccc(C)cc1 1649190 SUZZRCMFSGXJFT-NSHDSACASA-N 321.489 1.688 0 40 DDAB NC(=O)OCCSc1nnc(-c2ccc3c(c2)OCO3)o1 4891055 MUVMTOYMBPIRSU-UHFFFAOYSA-N 309.303 1.653 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC#N)cc1 6154387 WKFZMBMDVCIOJD-AWEZNQCLSA-N 315.329 1.780 0 40 DDAB COc1ccc(CNC(=S)N2CCCC[C@H]2C(N)=O)cc1 7578836 AZBAAFQHLSCVPI-ZDUSSCGKSA-N 307.419 1.410 0 40 DDAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 1444346 AAWWSYXOHZXCPU-GUTXKFCHSA-N 302.355 1.987 0 40 DDAB Cn1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cn1 25305664 YKKSYLIYSAENKR-LBPRGKRZSA-N 321.768 1.812 0 40 DDAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(C(=O)OCC)c1N 34929159 CREMSDIUIVJJIZ-UHFFFAOYSA-N 321.308 1.947 0 40 DDAB COc1ccccc1C(=O)NCC(=O)Nc1ccccc1O 9609120 RQZAFFVWBZAXTC-UHFFFAOYSA-N 300.314 1.769 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCCO1 27396798 IBAVXZXWTAOUIQ-GFCCVEGCSA-N 301.346 1.082 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@@H]1c1cccs1 44892301 KMNAHYZBMBJIJW-CYBMUJFWSA-N 309.435 1.927 0 40 DDAB Cc1nc(CN2CC[C@@H](N3CCCC3)C[C@H]2C(=O)O)cs1 107779239 LXGAOAYTNUULHK-KGLIPLIRSA-N 309.435 1.965 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)[C@H](C)S(C)(=O)=O 44953724 LDLCGELGOMPIJK-QMMMGPOBSA-N 305.783 1.398 0 40 DDAB CN(Cc1cnn(C)c1)C[C@@H](O)c1ccc2c(c1)OCCCO2 44974466 CMNGBYHQCJIZBE-OAHLLOKOSA-N 317.389 1.747 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)Nc1ccc(S(C)(=O)=O)nc1 44952688 XNTYESRDBYERCR-SNVBAGLBSA-N 323.374 1.831 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCCN(C)CC1 95442122 CQJINMPELDAENB-OAHLLOKOSA-N 318.421 1.000 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 36297128 PZAJKGAPBZKUPS-VIFPVBQESA-N 324.324 1.697 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccco2)c1 48375486 POGSYNHBMCDFGR-CQSZACIVSA-N 320.345 1.830 0 40 DDAB Nc1nc(N2CCC[C@H](N3CCCC3=O)C2)nc2ccccc12 95449384 ISECSPSLOJMUFR-LBPRGKRZSA-N 311.389 1.803 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cccnc1 11006343 BEMLHLIITBAOOA-ZDUSSCGKSA-N 302.355 1.730 0 40 DDAB CN(C)[C@@H]1CN(S(=O)(=O)c2cccs2)[C@@H]2CCCO[C@H]12 107203894 VUNBEIJMSYRHMD-WZRBSPASSA-N 316.448 1.230 0 40 DDAB CCC(=O)NCCNC(=O)c1c(SC)nsc1SC 2481378 QUDWQFRVFBNUIV-UHFFFAOYSA-N 319.477 1.843 0 40 DDAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](C)N2 2408798 GFVGPYKCRJWINW-ZYHUDNBSSA-N 301.350 1.657 0 40 DDAB O=C1c2ccccc2C(=O)N1CCCN1CCC(CO)CC1 46091291 MQOQAOWSHISDBU-UHFFFAOYSA-N 302.374 1.377 0 40 DDAB C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)c1ccc(C(F)(F)F)cc1 37042925 NWVZSZDLJDXBDF-UWJYBYFXSA-N 302.296 1.605 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccccn1 13072075 SKILZLKLDZFAQH-JTQLQIEISA-N 306.343 1.819 0 40 DDAB COc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)c(OC)c1 14014930 KUFSLGICAGNCAB-UHFFFAOYSA-N 314.341 1.984 0 40 DDAB O=C1NCCCC[C@H]1NC(=O)N1CC[C@H](Nc2ccccc2)C1 65548535 UULQRTDYOKQTDT-LSDHHAIUSA-N 316.405 1.551 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1 4699004 AGZUTGIFRUVYNG-UHFFFAOYSA-N 312.435 1.778 0 40 DDAB Nn1c(SCc2ccccn2)nc2cc(F)ccc2c1=O 71768825 RYVUWOOCSQHYEA-UHFFFAOYSA-N 302.334 1.937 0 40 DDAB CN(C)c1ncncc1NC(=O)c1cccc(-n2cccn2)n1 95427946 RGHPWGICDFCKTN-UHFFFAOYSA-N 309.333 1.376 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1F 17027702 GXLYDLDMQWDMCD-UHFFFAOYSA-N 313.288 1.468 0 40 DDAB CNC(=O)NC(=O)[C@H](C)SCc1cc(F)ccc1OC 71862853 BKHZMCCKHZGZEZ-QMMMGPOBSA-N 300.355 1.912 0 40 DDAB CCNC(=O)CN(CC)C(=O)N[C@@H]1COc2c1ccc(C)c2C 71803238 DCLXRFOIKKVBQH-CQSZACIVSA-N 319.405 1.905 0 40 DDAB CCOc1ccc(CNC(=O)C(=O)Nc2cccnc2)cc1F 71880086 WMTZTPAERPVYIH-UHFFFAOYSA-N 317.320 1.874 0 40 DDAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccccn2)CC1 71892848 PNEVNIMDQGMTLV-KRWDZBQOSA-N 310.401 1.426 0 40 DDAB Cn1cc(CN2CCN(C[C@H](O)c3ccccc3)CC2)cn1 69655055 KGDIVGYWKRSPPE-KRWDZBQOSA-N 300.406 1.271 0 40 DDAB CC[C@H](C(=O)NC[C@H](C)N1CCN(C)CC1)c1ccccc1 71867419 ZIHNEIQAUUULAV-RDJZCZTQSA-N 303.450 1.932 0 40 DDAB C[C@@H](NCCS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 69952016 LUNCRNXCUJKABZ-ZIAGYGMSSA-N 307.419 1.896 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@@H]1c1cnn(C)c1 69980978 NLXXPPBDCWZLPS-JKSUJKDBSA-N 318.421 1.875 0 40 DDAB CN(C)c1nc(N)nc(CSc2nc3ccccc3o2)n1 9690305 BRXJUALTXGYRHD-UHFFFAOYSA-N 302.363 1.953 0 40 DDAB O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnn(Cc2ccccc2)c1 97039275 SLKRAXLAOJSCIE-DZGCQCFKSA-N 313.357 1.915 0 40 DDAB C[C@H](CNc1nc(N)c2ccccc2n1)CN1CCOCC1 97031863 OETZRMHVNHMFPC-GFCCVEGCSA-N 301.394 1.592 0 40 DDAB CNC(=O)c1ccc(NC(=O)N2CCCN(C)CC2)cc1Cl 97051377 PBZIMCFATGHFTJ-UHFFFAOYSA-N 324.812 1.869 0 40 DDAB CCc1nnc2n1C[C@H](CNCc1nc(C(C)C)no1)CC2 72252970 IJJBFAPNHXFEHY-NSHDSACASA-N 304.398 1.699 0 40 DDAB CC(C)(C)c1nnc(N2CCC[C@H](NS(C)(=O)=O)C2)s1 97103072 PNDZYBMOQZVHIJ-VIFPVBQESA-N 318.468 1.354 0 40 DDAB CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Oc1ccccc1F 75093850 MFOLGMDZPTVJTL-VXGBXAGGSA-N 308.353 1.578 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@H]1C[C@@H]1C 75121640 JIKBGTHGZCMZQK-CMPLNLGQSA-N 312.373 1.455 0 40 DDAB COCCOc1ccc(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)cn1 89937201 XJUPBFGBDKRIQO-JSGCOSHPSA-N 307.394 1.129 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 75532402 FTYYAUHQSINDHH-UONOGXRCSA-N 318.421 1.907 0 40 DDAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1cccnc1 524735769 XVXCGCNPORJJQF-GFCCVEGCSA-N 300.347 1.748 0 40 DDAB CC(C)N(C[C@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C 79409767 ONBYQGMALZAXEY-QWHCGFSZSA-N 313.442 1.970 0 40 DDAB COC(=O)[C@@H]1CCCN1Cc1nnc(Cc2ccccc2)o1 79311361 CKSNIUNCENPGGL-ZDUSSCGKSA-N 301.346 1.798 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nccn1C(F)F 72766889 LRADLZZITXNBGU-MNOVXSKESA-N 316.352 1.394 0 40 DDAB Cc1cnc(C(C)(C)NC(=O)c2ccc3c(c2)NC(=O)CO3)[nH]1 568402317 BDXPDCYCKYHFAD-UHFFFAOYSA-N 314.345 1.714 0 40 DDAB NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2F)C1 45952664 JOZIOJVTBOOEGB-LURJTMIESA-N 301.115 1.426 0 40 DDAB Cc1cnn(C[C@@H](C)N[C@@H](C)C(=O)NCCc2cccs2)c1 69778949 DMPYIHRSXATGBL-KGLIPLIRSA-N 320.462 1.979 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)O)C2)c(C)c1F 569807536 IYINZTGZYGQWCM-DTORHVGOSA-N 317.338 1.284 0 40 DDAB C[C@@H](O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 69842274 MMJWTNVVRGHFOP-CQSZACIVSA-N 318.396 1.510 0 40 DDAB COc1cccc([C@@H](C)N[C@H](C)C(=O)N2CCC[C@@H]2CO)c1 195579333 SQYHNWPUNBXUIC-UMVBOHGHSA-N 306.406 1.718 0 40 DDAB Cn1nc(-c2cccnc2)cc1C(=O)N[C@]12CCC[C@@H]1NCC2 1579986250 SLNQIAAUGAVVEJ-RDJZCZTQSA-N 311.389 1.497 0 40 DDAB CC(C)c1cc(C(=O)NC[C@@H]2CCC(=O)N2)nn1C(C)(C)C 69809791 HFOCXKUEJILXFZ-NSHDSACASA-N 306.410 1.770 0 40 DDAB CN(CCOC[C@H]1CCCO1)[C@@H](C(N)=O)c1cccc(F)c1 195530781 YIRYJRGSMSOICZ-HUUCEWRRSA-N 310.369 1.480 0 40 DDAB Cc1ccc(-n2nnnc2N2CC[S@](=O)C(C)(C)C2)cc1 89643102 LZZNQPPQWHCMTB-OAQYLSRUSA-N 305.407 1.318 0 40 DDAB COCCNC(=O)NCc1cccc(Br)c1OC 83992173 TXUVQFYEINPTBP-UHFFFAOYSA-N 317.183 1.903 0 40 DDAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CC1 225383616 IXLJQVUULUPIGF-UHFFFAOYSA-N 312.391 1.730 0 40 DDAB Cc1cc(CNC(=O)C[C@H](CC(=O)O)c2ccccc2)n(C)n1 226748851 QGIMJPWLLKGLRF-CQSZACIVSA-N 315.373 1.993 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccoc3C)CC2)C1=O 96157771 ZRCCBIJZKFQBOY-UHFFFAOYSA-N 320.389 1.689 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(C3CCOCC3)C[C@@H]2C1 96161815 LWEQKIPQJOERDV-TXEJJXNPSA-N 307.419 1.326 0 40 DDAB c1cc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccn1 96110689 WJZCSFWLMAHCAB-HZPDHXFCSA-N 311.389 1.209 0 40 DDAB CCN(CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CC1 96402823 JFZFBYCUFLYENM-CQSZACIVSA-N 307.438 1.236 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)Cn1ccc(-c2ccccc2)n1 96447943 FQJDGQFHCJVZRD-UHFFFAOYSA-N 309.373 1.942 0 40 DDAB O=C(c1ccccn1)N1C[C@@H]2CCN(c3cnccn3)C[C@@H]2C1 96081516 GXMKXBVUQHIAQE-UONOGXRCSA-N 309.373 1.470 0 40 DDAB CC(=O)N1CCOC[C@@]2(CCCN(Cc3cccc(C)n3)C2)C1 96229344 FXNOPEQHPAMQQS-GOSISDBHSA-N 317.433 1.851 0 40 DDAB COc1cccc(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1 96410446 OBOHPIMDAOGYNS-ZDUSSCGKSA-N 315.377 1.829 0 40 DDAB Cn1cc(CN2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cn1 96055890 YYPDHYDELZPNKQ-GVDBMIGSSA-N 314.389 1.231 0 40 DDAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(C)=O)C2 96112869 VDOKHWZOZOFJAC-LBPRGKRZSA-N 301.346 1.594 0 40 DDAB biogenic,in-vitro CCN(C)c1ncnc2c1CCN(CC1CCOCC1)CC2 96058813 CVBOSEFATCGNDF-UHFFFAOYSA-N 304.438 1.760 0 40 DDAB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(C=O)CC[C@]341 96316347 AZHWHXLRFIFKTO-HHDFAXHISA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro CC(=O)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1 96260725 YLELTVPSZQOTBJ-UHFFFAOYSA-N 324.388 1.856 0 40 DDAB CCn1cc(C(=O)NC[C@@H](Cc2ccc(C)cc2)C(=O)O)cn1 97228537 XINZUUFKVJLZEZ-CQSZACIVSA-N 315.373 1.885 0 40 DDAB CNC(=O)CN1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1 96081430 CNGRGAZOSHFQAY-LSDHHAIUSA-N 307.438 1.093 0 40 DDAB COc1c2c(c([C@@](C)(O)C(F)F)c3c1OCO3)CCN(C)C2 242548291 LIEBBQHXAZOSRT-OAHLLOKOSA-N 315.316 1.884 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2ccccc2C(=O)O)CCO1 257319814 VUEHVZGFDKXSSQ-MRXNPFEDSA-N 306.362 1.064 0 40 DDAB CO[C@H]1CCN(C(=O)CCc2c(C)n[nH]c2C)C[C@@]12CCCO2 257296509 RDDYCSAOMNPIBL-RDJZCZTQSA-N 321.421 1.756 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cccn2C)n1 257258662 KUZVTWLRHUXGFE-AWEZNQCLSA-N 313.405 1.854 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 257229868 FZTVLMMLCQNQQX-ZDUSSCGKSA-N 300.362 1.405 0 40 DDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2S(C)(=O)=O)n1 257291504 QHFZKKBLWKFVKL-GFCCVEGCSA-N 307.379 1.272 0 40 DDAB COc1ccc([C@H]2CNCCN2C(=O)c2nccn2C)cc1 257240193 HSMRXYSTWLKKDM-CQSZACIVSA-N 300.362 1.215 0 40 DDAB CC(C)n1nccc1CN1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 257224286 FBDQAZPPBGVWRX-GJZGRUSLSA-N 306.410 1.286 0 40 DDAB Cc1nc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)co1 257319809 VUDIWANFHDSETG-MRVWCRGKSA-N 304.350 1.372 0 40 DDAB Cn1ccnc1-c1cnc(C[C@@H]2CCN(c3cnccn3)C2)cn1 257272062 NAXVQLQJJQYCNA-ZDUSSCGKSA-N 321.388 1.736 0 40 DDAB c1ncc(O[C@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)cn1 253588640 LVCGBEXZKVZYFX-CABCVRRESA-N 300.362 1.407 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](c2ccc3c(N)nn(C)c3n2)C1 257321001 VZRFAUCGHSYCAW-JTQLQIEISA-N 323.422 1.080 0 40 DDAB O=C1CO[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]2N1 257326882 WYZIVWJMBXBWDB-NWDGAFQWSA-N 312.728 1.209 0 40 DDAB O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)CNCCO1 257268474 MLVORXRRUMSCHE-SFHVURJKSA-N 311.385 1.299 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cc(-n3ccnc3)ccn2)C1 257288594 PUWLNLDRCZFKKN-LBPRGKRZSA-N 306.391 1.406 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575405265 XWQRTLSGZGLJFD-CQSZACIVSA-N 322.430 1.721 0 40 DDAB CNc1cccc(C(=O)N2CCC[C@H](OC)[C@@H]2CCC(N)=O)n1 585276155 DDHIGRAJTBVPGQ-STQMWFEESA-N 320.393 1.008 0 40 DDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)C3CCOCC3)C2)c1 585269032 IIWQBYSJTMSCLH-GOSISDBHSA-N 319.401 1.764 0 40 DDAB O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccccn1)c1ccccn1 45108145 BVYFDUZVVBXFBQ-OKILXGFUSA-N 324.384 1.948 0 40 DDAB CCCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1F 46705136 DNFIEOQFJOQVRH-UHFFFAOYSA-N 324.324 1.762 0 40 DDAB CC(C)(CO)[C@H](O)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 59689256 JLTVUDQTJZNYKA-CHWSQXEVSA-N 311.769 1.889 0 40 DDAB in-vitro CNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 40458878 MXSDCMOHHPPSMY-UHFFFAOYSA-N 300.380 1.132 0 40 DDAB COCCNC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1Cl 75604961 UWFLKTLJRJFPGS-NSHDSACASA-N 314.817 1.281 0 40 DDAB CCn1cnnc1-c1cccc(N2C[C@H](C(=O)O)CC2=O)c1 58173155 NMOXGAZGDIXYFK-LLVKDONJSA-N 300.318 1.403 0 40 DDAB O=C(c1ccc(Cl)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85436622 SBSJCGJKBIPDFH-OAHLLOKOSA-N 308.809 1.869 0 40 DDAB CC(=O)c1cccc(NC(=O)CSc2nccc(=O)[nH]2)c1 5045211 LXBFBBKVLSCUOG-UHFFFAOYSA-N 303.343 1.703 0 40 DDAB CCCCCn1c(N[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 12647651 CTMQREBZTMZOJV-SNVBAGLBSA-N 307.398 1.824 0 40 DDAB CC(C)(C)n1nc([C@@H](O)[C@@H](O)CO)c2nc3ccccc3nc21 16323329 QWEQVUOCNHGLPM-FZMZJTMJSA-N 316.361 1.121 0 40 DDAB c1cncc(CCc2nc(N3CCCC3)nc3c2CNCC3)c1 19338534 WZVHUFHYMKAZMK-UHFFFAOYSA-N 309.417 1.903 0 40 DDAB CO[C@H]1CCN(c2ccc(C(=O)NCc3nnc(C)o3)cc2)C1 206767712 GXAUOLXOGIVIIU-AWEZNQCLSA-N 316.361 1.533 0 40 DDAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccncc2)CC1 225569782 ALIUZXKRXVGSFB-UHFFFAOYSA-N 311.389 1.655 0 40 DDAB CC(C)CNC(=O)NC(=O)CSC(=S)N1CCCC1 5287783 ANKRQKJSHILFFQ-UHFFFAOYSA-N 303.453 1.582 0 40 DDAB Nn1c(SCC(=O)N2CCCC2)nnc1C1CCCCC1 5936573 JUABOMMGIQATSF-UHFFFAOYSA-N 309.439 1.754 0 40 DDAB Cc1cc2ncnc(N3CCN(c4ncncc4C)CC3)c2[nH]1 1889136034 DVGBHGDBCOTONR-UHFFFAOYSA-N 309.377 1.691 0 40 DDAB CC(C)OCc1ccccc1CNC(=O)C1=NN(C)C(=O)CC1 23102282 DPCAUQJDMZGLCE-UHFFFAOYSA-N 317.389 1.836 0 40 DDAB CC(=O)c1ccc(NC(=O)NCCCN2CCOCC2)cc1 24690698 YSPKTANQMVAEQX-UHFFFAOYSA-N 305.378 1.733 0 40 DDAB O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccncc1 32065872 NDIPVOSLWIXAGV-UHFFFAOYSA-N 324.428 1.629 0 40 DDAB CCOC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987794 UZXGPBYUDUFICQ-SNVBAGLBSA-N 306.318 1.514 0 40 DDAB CC[C@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)n1 75163753 WNAKJVVGTZXTJB-QMMMGPOBSA-N 324.182 1.953 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2cccs2)o1 31483615 YQRKNPCRTDIHMD-UHFFFAOYSA-N 300.361 1.179 0 40 DDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1nc(-c2ccc(C)cc2)no1 40528582 VSGMRUUSQUHJJF-SNVBAGLBSA-N 323.374 1.094 0 40 DDAB CNC(=O)N1CCN(Cc2nc(-c3ccccc3C)no2)CC1 40505456 DDZWNBOTHUWGIT-UHFFFAOYSA-N 315.377 1.502 0 40 DDAB CCc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)C=C(C(=O)O)N2 20724989 FLRGKFMXFXBFGL-SNVBAGLBSA-N 316.317 1.538 0 40 DDAB Cc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2ccccc2F)C1=O 101722673 JJJHLELGHYROSS-VIFPVBQESA-N 302.309 1.497 0 40 DDAB CC(=O)Nc1cccc(-n2nnnc2S[C@@H]2CCOC2=O)c1 32772314 CXGDUCJZTBRCGU-LLVKDONJSA-N 319.346 1.028 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N(C)c2ccccc2)on1 32929831 KFKNBLUEHBOWLG-LBPRGKRZSA-N 322.386 1.949 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269093 WMIJPUOGBLFERP-HOTGVXAUSA-N 306.381 1.426 0 40 DDAB C[C@@H]1c2cccn2CCN1C(=O)CNC(=O)/C=C/c1ccco1 47436826 CTMRFZBCDDIJAV-KTRBRXNASA-N 313.357 1.814 0 40 DDAB COCCN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 54188040 HSJBDXYVCHLTJN-DLBZAZTESA-N 323.481 1.432 0 40 DDAB CNC(=O)c1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1 79493963 VMVRODAUDUIWBA-UHFFFAOYSA-N 323.356 1.889 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N(C)c1cccnc1N(C)C 79725275 GEUKANXGUHXTTR-UHFFFAOYSA-N 301.394 1.703 0 40 DDAB CCCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 2179183 SBNWMHVJYYKFPH-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB O=S(=O)(O)C[C@H](O)CSc1nc2ccccc2s1 3156492 ODFCBACQQKKDTR-SSDOTTSWSA-N 305.402 1.637 0 40 DDAB C[C@@H]1CN(CC(=O)NCCc2c[nH]c3ccccc23)CCO1 24045291 MXEPCQLBCJCLIL-CYBMUJFWSA-N 301.390 1.547 0 40 DDAB CCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 4692084 GIRFDUSAOGWPIM-UHFFFAOYSA-N 301.383 1.958 0 40 DDAB CCOC[C@@H](O)CN1CCN([C@H](C)c2ccccc2OC)CC1 95396840 FGRPGGYSDNDAOB-CVEARBPZSA-N 322.449 1.771 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](n3cncn3)C2)n1 72234808 LJDGPZNSOBDPLT-CQSZACIVSA-N 302.382 1.345 0 40 DDAB CC(C)N(CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C 55291422 GKPBOUBJULFAOC-ZIAGYGMSSA-N 321.487 1.049 0 40 DDAB O=C(CN1CCCCC1=O)NCCC1Cc2ccccc2C1 95440242 MYXXFBGOABFSBN-UHFFFAOYSA-N 300.402 1.920 0 40 DDAB O=C(O)C1=C[C@H](c2ccccn2)n2nc(C(F)(F)F)nc2N1 102335950 YGWPQDNRIURNTO-MRVPVSSYSA-N 311.223 1.675 0 40 DDAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cn1cnnn1 95440400 BYJVRVPMWHGGOF-SNVBAGLBSA-N 308.411 1.781 0 40 DDAB c1coc([C@H](CNc2ccc3nnnn3n2)N2CCCCC2)c1 8724777 WWQGSGJPVFRGKF-LBPRGKRZSA-N 313.365 1.751 0 40 DDAB CN(CC(=O)OCC(=O)c1ccccc1)c1ncc(C=O)cn1 8731055 RHGWCVRXRKCVFK-UHFFFAOYSA-N 313.313 1.151 0 40 DDAB CCCn1nc(C(=O)n2cccc/c2=N\C(C)C)ccc1=O 25400733 YRJVUIKJNOJROI-SAPNQHFASA-N 300.362 1.452 0 40 DDAB Cn1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1=O 56009649 BRUBRQXDTJMSNJ-UHFFFAOYSA-N 312.369 1.683 0 40 DDAB O=C(COC(=O)c1cnccn1)N[C@@H]1CCCc2ccccc21 3221085 MPZGWORVMASPRR-CQSZACIVSA-N 311.341 1.827 0 40 DDAB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 107537479 BMYRNXSILSAQLG-LALPHHSUSA-N 314.345 1.693 0 40 DDAB Cc1ccsc1CNC(=O)N1CCN(c2cnccn2)CC1 26175889 PNZQAEALCJVFRG-UHFFFAOYSA-N 317.418 1.878 0 40 DDAB Cc1sc2ncn3c(=O)n(CC(=O)NC4CC4)nc3c2c1C 57730660 YWNAAFRZPDOXAM-UHFFFAOYSA-N 317.374 1.001 0 40 DDAB COc1ccc(CCC(=O)N(CC(=O)O)C2CC2)cc1OC 57638104 WAIBRQLLSFXMOE-UHFFFAOYSA-N 307.346 1.712 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1cnc(N(C)C)nc1 93092554 AONOMAARXBXHRI-DGCLKSJQSA-N 304.398 1.243 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O 58175741 DWDWSXHXZHNZRL-VHSXEESVSA-N 308.334 1.090 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2nc3c(s2)CN(C)CC3)n1 44889413 MRKCIUYAJKYZAT-UHFFFAOYSA-N 305.407 1.583 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)n1ccnc1 44850387 DXZJNRFHNZYDCS-ZDUSSCGKSA-N 300.362 1.499 0 40 DDAB CSc1ncc(C(=O)NCCNC(C)=O)n1-c1ccccc1 27671846 JRUCXVJPCIBKOJ-UHFFFAOYSA-N 318.402 1.460 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 12751630 KWUIBRLUXBEEHO-ONGXEEELSA-N 320.345 1.284 0 40 DDAB CN(Cc1ccco1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 44907283 VAQXWUUSBDEYNB-LBPRGKRZSA-N 300.380 1.052 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H]1CCCN1C)C2 58344235 HZGJZWJMXYBQHZ-KGLIPLIRSA-N 304.390 1.457 0 40 DDAB CN1CCO[C@H](CNC(=O)CCn2ccc3ccccc32)C1 58314666 DBRVXRWNODECIY-OAHLLOKOSA-N 301.390 1.478 0 40 DDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCc2ccccc21 103061749 PWXMCSZKVVEDTR-ZIAGYGMSSA-N 310.353 1.527 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)c1ccc(S(C)(=O)=O)cc1 10799056 XKGCMZASEDAYRL-BMRADRMJSA-N 318.398 1.889 0 40 DDAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(C(C)=O)CC2)cc1 36389903 SJWNLGDAVPCSOG-CQSZACIVSA-N 317.433 1.590 0 40 DDAB NC[C@H]1CC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)CC1 100768856 KXIUJOVSBMBLJK-WOVMCDHWSA-N 316.449 1.491 0 40 DDAB Cc1cc(NC(=O)c2cc(NC(=O)c3ccco3)n(C)n2)no1 57279301 DWLMBGLFFZQGAQ-UHFFFAOYSA-N 315.289 1.814 0 40 DDAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)C1(N)CCCC1 178144669 NJJHFZDNJVSLIN-UHFFFAOYSA-N 310.419 1.750 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)[C@@H]1Cc2cc(Cl)ccc2O1 97197953 PYWYCUMPFVMVIB-JSGCOSHPSA-N 317.776 1.971 0 40 DDAB CCN(Cc1nonc1C)C(=O)c1nn2cccnc2c1Cl 2789973 OTCWPLSPPQWASW-UHFFFAOYSA-N 320.740 1.736 0 40 DDAB Cc1c(Br)cnn1CC(=O)N[C@@H](C)[C@@H]1CCCO1 2779207 QENDJNJPKQOGLG-KWQFWETISA-N 316.199 1.638 0 40 DDAB NC(=O)NC(=O)COC(=O)c1ccccc1NCc1ccco1 3496673 NKQJQPARXNPMAI-UHFFFAOYSA-N 317.301 1.243 0 40 DDAB CCn1c(SCC(=O)NC(=O)NC)nnc1-c1ccccc1 3501409 ATTIQCWAPCWDPC-UHFFFAOYSA-N 319.390 1.513 0 40 DDAB Cc1cc(C)nc(NS(=O)(=O)c2cn(CC(C)C)cn2)n1 97114348 LWEYPKXOWSTYHF-UHFFFAOYSA-N 309.395 1.747 0 40 DDAB COCCCNC(=O)CN(C)C(=O)c1cc(Cl)ccc1O 63519492 LXROXUGAIGRSKL-UHFFFAOYSA-N 314.769 1.270 0 40 DDAB COc1cc(CC(=O)N2CCSCC2)cc(OC)c1OC 49214119 NUZDNMLJMHBLBU-UHFFFAOYSA-N 311.403 1.830 0 40 DDAB Cn1cccc1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 39570477 YXRDEQAJNOZKCS-SFHVURJKSA-N 323.352 1.601 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)C(C)C 9313953 BZOGXUTZGMKMPH-DOMZBBRYSA-N 306.362 1.103 0 40 DDAB O=C(c1ccc(O)nc1)N1CCCN(C[C@@H]2CCCO2)CC1 65452363 UFCSEQGPQSJFHA-AWEZNQCLSA-N 305.378 1.114 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCCO2 65401436 PHMSPNXIURGFJV-CYBMUJFWSA-N 318.373 1.127 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 65514526 WGBJCWAXJZPULZ-JKSUJKDBSA-N 314.389 1.608 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n(C)n1 66247783 FBNSWLYGQPPNCU-UHFFFAOYSA-N 320.374 1.414 0 40 DDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)C1=Cc2ccccc2OC1 66657283 XABPQRGUHFBORB-ZDUSSCGKSA-N 318.398 1.452 0 40 DDAB Cc1cc(=O)[nH]c(N/N=c2/c(=O)c3cccc4cccc2c43)n1 9575518 IVSBEFFWPYPWNN-HMMYKYKNSA-N 304.309 1.548 0 40 DDAB O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCO1 68143051 VLEXAMYRCVXFLZ-LSDHHAIUSA-N 303.358 1.900 0 40 DDAB O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccccn1 9573760 YOKLQBSEQSHYNS-UHFFFAOYSA-N 316.386 1.746 0 40 DDAB CCN1C[C@H](C(=O)Nc2cccc(-c3noc(O)n3)c2)CC1=O 68297157 VIULRVVISBGWCX-SNVBAGLBSA-N 316.317 1.249 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 16455297 GROLUYPMYSVNSP-MRXNPFEDSA-N 321.352 1.507 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(c3ccncc3)CC2)cn1 71841294 ZYXZTDXNHAHPOF-JKSUJKDBSA-N 311.389 1.267 0 40 DDAB CN(CCNC(=O)N[C@H]1CCCc2c1cnn2C)C1CCCC1 71856643 LWNBZNUOWXPFNO-HNNXBMFYSA-N 319.453 1.971 0 40 DDAB CN(Cc1ccccc1)C(=O)NCC(C)(C)NS(C)(=O)=O 69151347 WYCAMEWNKUNBNJ-UHFFFAOYSA-N 313.423 1.156 0 40 DDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(Cc2ccon2)C1 83836884 IFLGSNXMBNAFJW-CQSZACIVSA-N 304.398 1.301 0 40 DDAB C[C@@H](Cn1cccn1)NCC(=O)N(C)Cc1ccc(F)cc1 69369994 LMRHPVXITONZOS-ZDUSSCGKSA-N 304.369 1.659 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(C)=O)C1 69380511 FTUYTJXJOLUYEX-CABCVRRESA-N 308.353 1.640 0 40 DDAB COc1ccc(NC(=O)CN2CCCC[C@H]2C2OCCO2)cc1 69489817 QZWHMHGGKZACGH-HNNXBMFYSA-N 320.389 1.861 0 40 DDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)c1c(F)cccc1F 71949441 PQYRZEGHXXDMDI-NWDGAFQWSA-N 310.300 1.815 0 40 DDAB Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 9690136 QUQFJBAIIPZKDQ-QGZVFWFLSA-N 315.373 1.962 0 40 DDAB COc1cc2c(nn1)CCN([C@@H](C(N)=O)c1ccc(F)cc1)C2 83925417 KRGIBEAKFQUUDP-OAHLLOKOSA-N 316.336 1.209 0 40 DDAB O=C1CCN(Cc2ccn(-c3c(F)cccc3F)n2)CCN1 95433760 OAYABMRSKCYUMM-UHFFFAOYSA-N 306.316 1.472 0 40 DDAB O=C(C[C@@H]1CCCCO1)NCCc1n[nH]c(=S)n1C1CC1 87335665 BCNKWPBJFIKHHD-NSHDSACASA-N 310.423 1.893 0 40 DDAB COc1ccc(C(=O)N2[C@@H](C)CC[C@H]2C)cc1-n1cnnn1 97081389 KKGYGEPLNKUWJW-PHIMTYICSA-N 301.350 1.684 0 40 DDAB CS(=O)(=O)CCCC(=O)NCc1ccnc2ccccc12 95407212 GRZIPEITFBNBMR-UHFFFAOYSA-N 306.387 1.676 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 98013084 CBMKZOPUXUXDHX-ZDUSSCGKSA-N 303.280 1.763 0 40 DDAB Cc1nc(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)no1 86201112 JYSLDPJUXNJWHI-LBPRGKRZSA-N 316.361 1.587 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3nccn3C)C2)no1 75130852 LAUOQHRTEFJGBD-CYBMUJFWSA-N 304.398 1.208 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccsc2)no1 89937985 QHIVKYFCVZNDTO-NSHDSACASA-N 320.418 1.893 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)n[nH]1)CC2 89986415 MITXHXCMYNCZDY-HUUCEWRRSA-N 321.421 1.925 0 40 DDAB COc1ccc(NC(=O)C[C@@H](NCCCN(C)C)C(=O)O)cc1 56964116 VJOMWTIEGOSYMI-CQSZACIVSA-N 323.393 1.018 0 40 DDAB COc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409376236 WFCJKVPGEVLGLL-OQMKEHIESA-N 303.314 1.678 0 40 DDAB CO[C@H]1CCC[C@H]1OC(=O)Cn1c(=O)cnc2ccccc21 78985213 ZKXUDKMUMBPHEC-UONOGXRCSA-N 302.330 1.507 0 40 DDAB O=CN(CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 217389992 JSLHGWJYZIZQKK-ZDUSSCGKSA-N 306.387 1.356 0 40 DDAB CCN(CC)C(=O)Cn1c(=O)c2nnc(C)n2c2ccccc21 64871454 HDWRSZMVDMVUMW-UHFFFAOYSA-N 313.361 1.221 0 40 DDAB O=C(CN(Cc1ccccn1)C[C@@H]1CCCO1)N1CCCC1 76048002 RYRBBVVLNQPNIY-INIZCTEOSA-N 303.406 1.685 0 40 DDAB CCN1CCCC[C@H]1CNC(=O)N1CCC2(CC1)OCCO2 78926031 CXENLMIYDZBGJT-AWEZNQCLSA-N 311.426 1.409 0 40 DDAB CCN(C[C@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 79412378 XKJVZISRCCHVIA-OAHLLOKOSA-N 319.405 1.595 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCCC[C@H]1Cc1ccccc1 72369991 XGSFBRATMTXMAG-INIZCTEOSA-N 324.446 1.661 0 40 DDAB CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241329 KAAZGRRYIPVYLX-UONOGXRCSA-N 310.781 1.765 0 40 DDAB CCn1ncc(CNC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)n1 528085781 ZITJTDIFXJPMCP-OCCSQVGLSA-N 306.414 1.066 0 40 DDAB C[C@@H](Oc1nn(C)c2ccccc12)C(=O)NC1CCC(O)CC1 226755248 AGPQWPSNPPTZCZ-PNESKVBLSA-N 317.389 1.760 0 40 DDAB COC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 42236784 KGQHASYCYHEMMA-UHFFFAOYSA-N 305.330 1.483 0 40 DDAB COc1cccc([C@H]2C[C@H](C)CN2Cc2nc(=O)n(C)[nH]2)c1 329682458 SLJIZDPKQLLXCN-SMDDNHRTSA-N 302.378 1.700 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccco1 96201257 LKQCKUYEXPXCLM-LBPRGKRZSA-N 311.345 1.938 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96051937 MGSOSEMGQBJQTO-WMZOPIPTSA-N 322.424 1.995 0 40 DDAB O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1c[nH]nn1 96408549 IQOMZXXNBSNAOO-SECBINFHSA-N 323.303 1.415 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)S(C)(=O)=O)o1 96452309 AKHOTLWNRPSJIJ-SNVBAGLBSA-N 302.396 1.771 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4ccoc4)C3)C2=O)cn1 96159555 MGVHIRPAWDNLRJ-MRXNPFEDSA-N 314.345 1.282 0 40 DDAB O=C(CCn1cncn1)NCCNc1ccc2ccccc2n1 96436744 AQMCQDQILJUZQP-UHFFFAOYSA-N 310.361 1.445 0 40 DDAB O=C(c1ccoc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96050840 WEONUIQRNLYXCM-MRXNPFEDSA-N 312.329 1.339 0 40 DDAB O=[S@@](CCO)Cc1ccc(I)cc1 96495982 VDDWHNPXDNBLOS-CYBMUJFWSA-N 310.156 1.532 0 40 DDAB CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1cccs1)C2 96108689 IGWFLHGNWVRIAR-CJNGLKHVSA-N 324.446 1.301 0 40 DDAB O=C(c1cccs1)N1CCn2cc(Cn3cccn3)nc2C1 96197347 SJHVPSZFJVLNEN-UHFFFAOYSA-N 313.386 1.845 0 40 DDAB Cc1nc(CN2CCCN(C(=O)[C@H](N)C3CCC3)CC2)cs1 333248341 GECGQRADMWFXDF-OAHLLOKOSA-N 322.478 1.613 0 40 DDAB CN(C)CC(=O)N1CCC2(CC1)C(=O)N[C@@H]2c1ccccc1 96080429 JJPACMQDGUQQSJ-OAHLLOKOSA-N 301.390 1.028 0 40 DDAB COc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(C)cc1 96183346 IMUGXFNGKAUSBO-UHFFFAOYSA-N 316.361 1.116 0 40 DDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccno3)C2)c1F 245108393 SVDPUYGMPQXVGB-SECBINFHSA-N 306.297 1.460 0 40 DDAB Cc1ccc(N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)nn1 247953586 YYRVWEYDWXHFSX-CYBMUJFWSA-N 313.361 1.392 0 40 DDAB CCN(C)C(=O)c1ccc(C[C@H]2CCCN(C(C)=O)C2)nn1 257274307 NKKXYCQWABAFDL-CYBMUJFWSA-N 304.394 1.370 0 40 DDAB Cc1nccc(N2CCO[C@@H](CCc3cc(O)ncn3)C2)n1 257259712 KZQBGJBXLYQRPM-ZDUSSCGKSA-N 301.350 1.119 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)C12CC2 257372313 JEEMXIZVKNXKNM-PTENTFFRSA-N 322.401 1.565 0 40 DDAB in-vitro CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2ccnnc2)n1 257249691 JJJKLPBMUWMZIK-OAHLLOKOSA-N 312.377 1.306 0 40 DDAB O=C(CCCn1ccnc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257202605 AMOQJUHGXFPHGP-CQSZACIVSA-N 301.394 1.868 0 40 DDAB CC(=O)N1CCC(N2CCO[C@@H](c3cnc(C)cn3)C2)CC1 257227606 FQBNIKRYFPANNG-MRXNPFEDSA-N 304.394 1.169 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2ncoc2C)n1 257333709 YCRWMSYIYLIIFG-NSHDSACASA-N 304.306 1.001 0 40 DDAB Cn1cc(-c2cncc(C(=O)N3CCC(CO)CC3)c2)cn1 257317047 VIDMNDBWADWTHN-UHFFFAOYSA-N 300.362 1.327 0 40 DDAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)[C@H]1CCCO1 26400971 CXMGJESCLJUDCT-DGCLKSJQSA-N 306.362 1.825 0 40 DDAB CCN(Cc1cccnc1)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257235164 GWSHINGKKWXNIK-INIZCTEOSA-N 314.393 1.252 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)c3cccn3C)CCO2)nc(C)n1 257328221 XESFGQQXESUNCN-HNNXBMFYSA-N 300.362 1.646 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 257238670 HLZJKKQKWAKFNX-ZDUSSCGKSA-N 314.389 1.512 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)[C@H]3C[C@H]3C)CC2)C1=O 253592849 ZVXKKQJTGUNRMI-JKIFEVAISA-N 308.422 1.520 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cc[nH]n1 585288246 SGIWEHGNVQYUOM-BLLLJJGKSA-N 320.393 1.088 0 40 DDAB Cc1ncsc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO 585295324 UZOZRYGAQFPZKE-IIAWOOMASA-N 322.405 1.912 0 40 DDAB C[C@@H](OCC1CC1)C(=O)Nc1cc(Br)c[nH]c1=O 65535939 UHAYJCIZAOZESY-SSDOTTSWSA-N 315.167 1.891 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)o1 32914058 WPZHKWNBUXQNPQ-UHFFFAOYSA-N 312.322 1.257 0 40 DDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(C)ccc1F 51135039 VRLPTNZKKRQKLY-GFCCVEGCSA-N 315.366 1.850 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2noc(C)n2)n1 76043634 YRKGPXUWJSVNIC-CYBMUJFWSA-N 303.366 1.945 0 40 DDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NC1CCCCC1 1549162764 WDPXPXDOMWKMCO-ARFHVFGLSA-N 306.410 1.206 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)n2nc(C)cc2C)cc1 17043640 YDDHIXXHXJRLSA-UHFFFAOYSA-N 321.402 1.769 0 40 DDAB C[C@H](CN(C)C)Nc1nc(Cc2ccccc2F)cc(=O)[nH]1 19455947 WUTIREDPPVMDDE-LLVKDONJSA-N 304.369 1.862 0 40 DDAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cc(=O)[nH]c(N2CCCC2)n1 19458322 HQZPBZCRGFEWTB-QWHCGFSZSA-N 316.405 1.904 0 40 DDAB CCCCCn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CCC3 19962328 IVMYWDKHXMWHKX-UHFFFAOYSA-N 315.373 1.804 0 40 DDAB O=C(O)CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 4611182 QSACMLUENTXYHD-RVDMUPIBSA-N 324.336 1.658 0 40 DDAB CC(=O)N[C@H]1CCOC2(CCN(Cc3cscn3)CC2)C1 643913041 NSFOTXYWRWECCA-ZDUSSCGKSA-N 309.435 1.793 0 40 DDAB COc1ccccc1CNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 250396627 IVEJPPRNMLAXSO-LWWSYDQCSA-N 301.342 1.834 0 40 DDAB O=C(/C=C/c1ccccc1Cl)OCC(=O)N1CCOCC1 2635652 IVOSQAJTIUEUAA-AATRIKPKSA-N 309.749 1.755 0 40 DDAB Cc1cc(=N[C@H]2CCN(C3CCOCC3)C2)[nH]c(C2CC2)n1 1889064679 FQEJDAWEEMHOPF-AWEZNQCLSA-N 302.422 1.750 0 40 DDAB Cn1c(N2CC[C@H](C(=O)NC(C)(C)C)C2)nc2cccnc21 1889085194 ANCRUDIEUWDGCL-NSHDSACASA-N 301.394 1.709 0 40 DDAB COc1ccc(Br)c(C(=O)NS(C)(=O)=O)c1 42279273 FCZOZTWCUOWQPD-UHFFFAOYSA-N 308.153 1.147 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1F 8510828 CHVGRGXOIWERHP-UHFFFAOYSA-N 322.789 1.626 0 40 DDAB CC(C)CN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)CCc1cncnc1 1565547984 VQJIEDORJFUDKE-LSDHHAIUSA-N 316.405 1.267 0 40 DDAB CCN1C[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2C1=O 2055772904 UHVVVSCWOARJNX-KGLIPLIRSA-N 304.365 1.695 0 40 DDAB O=C1NCCN1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225677602 SAODKVLTPHKMAR-NSHDSACASA-N 303.318 1.350 0 40 DDAB COc1coc(CSc2nnc(NC(C)=O)s2)cc1=O 348728921 OKCQAXFVHRFZKB-UHFFFAOYSA-N 313.360 1.751 0 40 DDAB CCc1cnc(N2CCC(C(=O)N3CCSCC3)CC2)nc1 2298041250 LSYFDMGGQUPFTB-UHFFFAOYSA-N 320.462 1.831 0 40 DDAB COC(=O)c1ccc(C(=O)NCCn2nc(C)cc2C)cc1 44158842 OWJWWYPAJIPGPG-UHFFFAOYSA-N 301.346 1.717 0 40 DDAB Cc1cccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 40457375 ZKKZLTXOHLYRNH-ZDUSSCGKSA-N 311.403 1.328 0 40 DDAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)Cn3cccn3)ccc21 31396838 JTHGHJRNUIBPIU-GFCCVEGCSA-N 312.373 1.611 0 40 DDAB C[C@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)CCO1 40498759 VWTQVEDUKWMKHJ-VIFPVBQESA-N 304.268 1.884 0 40 DDAB CCNC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1 100752610 ZWCAKCLIWVQREP-HRCADAONSA-N 315.417 1.928 0 40 DDAB COC[C@@H](C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 21187770 UHSOWEZXXXIYLM-LLVKDONJSA-N 300.399 1.785 0 40 DDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1cccc(Cl)c1 32689130 SCNKBQRSIMAUNS-UHFFFAOYSA-N 321.720 1.232 0 40 DDAB CCOCCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102365662 BTUCJMABGLFLKI-UHFFFAOYSA-N 321.402 1.379 0 40 DDAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1=COCCO1 32906502 HVMHEMRQLMNRIL-UHFFFAOYSA-N 302.330 1.749 0 40 DDAB C[C@]1(NC(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 22553197 VUPIYCDUASOIFP-LBPRGKRZSA-N 305.758 1.786 0 40 DDAB O=C1CCCN1C[C@H](O)CS(=O)(=O)c1ccc(Cl)cc1 74863 AOJUVACYBFAGGL-NSHDSACASA-N 317.794 1.097 0 40 DDAB C[C@H](COc1cccc(F)c1)NC(=O)NCC[S@@](C)=O 95398063 LVEVXQUVUKZLGO-SBKAZYGRSA-N 302.371 1.271 0 40 DDAB COc1ccc([C@H](O)CNC[C@@H]2CN(C3CC3)CCO2)cc1 78788241 BOGUMBYDFVAWCT-IAGOWNOFSA-N 306.406 1.181 0 40 DDAB COC(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccnc1OC 79068675 VHHDXKOLZNGYNZ-GHMZBOCLSA-N 307.350 1.944 0 40 DDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cnccn2)CC1 104875156 DYHWPQLCRADWQY-SOUVJXGZSA-N 300.406 1.952 0 40 DDAB COCCN1CCC[C@@H](Nc2ccc3nnc(C4CC4)n3n2)C1 89414549 YJQOWZPXNJECAB-CYBMUJFWSA-N 316.409 1.524 0 40 DDAB CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6259959 SABLHRSVQBRNDF-LURJTMIESA-N 311.190 1.406 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H]2C)ccc1Cl 43113654 AFYDOZAAHNMZHN-WCBMZHEXSA-N 316.810 1.634 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1c(C)nn(C)c1C 24725035 LGPLVXULZVGWTM-HSBSLETESA-N 307.394 1.754 0 40 DDAB CC(C)N(C)C[C@H]1CN(C[C@H]2CCOC2)Cc2nccn2C1 107209217 GIYJHOGSPCGPSI-CVEARBPZSA-N 306.454 1.692 0 40 DDAB Nc1no[n+]([O-])c1C(=O)Nc1ccc(Oc2ccccc2)cc1 1428188 KQLJCOGJNXIGOY-UHFFFAOYSA-N 312.285 1.935 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)s1 25495089 MIYOMBOQFSTBMH-CYBMUJFWSA-N 310.400 1.667 0 40 DDAB CCOC(=O)c1ccc(N2CCN(c3cnccn3)CC2)nc1 26723365 GKTWQEWSQONBQX-UHFFFAOYSA-N 313.361 1.375 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCCNC1 44502397 NGYFSVAPTGHLOI-LLVKDONJSA-N 302.827 1.926 0 40 DDAB COC(=O)[C@](O)(CC(=O)Nc1cccc(F)c1)C(F)(F)F 2063959 IYNIGSXZSFUXFK-LLVKDONJSA-N 309.215 1.621 0 40 DDAB CCNC(=O)COc1cn(-c2ccccc2)nc1C(=O)OCC 58201423 OWQCTTPRAYBFOQ-UHFFFAOYSA-N 317.345 1.564 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1F 44935960 UFUYUVKKRWMPBM-JTQLQIEISA-N 313.354 1.398 0 40 DDAB C[C@@H](CO)NC(=O)NCc1ccc(N2CCCCCC2)nc1 44953896 LYXKLPLFJPHJHW-ZDUSSCGKSA-N 306.410 1.642 0 40 DDAB CCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 44935119 NHPWREGNJISFBJ-KGLIPLIRSA-N 310.394 1.503 0 40 DDAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN(c2ncccn2)C1 58429669 UQONQQNMPCTRPQ-CHWSQXEVSA-N 306.366 1.267 0 40 DDAB Cc1nnc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)s1 28276105 KJFLSYPAJVWCSN-UHFFFAOYSA-N 320.374 1.930 0 40 DDAB COC(=O)[C@]1(C(F)(F)F)N=C(C)OC(N2CCCCC2)=N1 2338146 SMUOCXSHWAFWNQ-NSHDSACASA-N 307.272 1.709 0 40 DDAB O=C(Cn1nnc(COc2ccccc2)n1)NCc1ccco1 48331920 VQGGMCGAOHKPFR-UHFFFAOYSA-N 313.317 1.162 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NOC/C=C(/C)Cl)cc1 2326850 PMYKBZOCWCUVTP-CLFYSBASSA-N 318.782 1.998 0 40 DDAB O=C(Cn1cnc2ccsc2c1=O)NC(=O)NC1CCCC1 12859465 JQIZLTYVMOXZNS-UHFFFAOYSA-N 320.374 1.226 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)C1CC1 22135007 XSIXPVDIIIVOSI-HUUCEWRRSA-N 322.430 1.678 0 40 DDAB Brc1ccc(N2CCN(c3ncccn3)CC2)nc1 29624864 ZWNFLNVASIRDGX-UHFFFAOYSA-N 320.194 1.961 0 40 DDAB COCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 2631395 FSBGOHCTUGNUMF-ZDUSSCGKSA-N 312.797 1.857 0 40 DDAB CC(C)C[C@H](NC1CCOCC1)c1nc(-c2nnc[nH]2)no1 95991757 BWHWZIYMYFGNOF-NSHDSACASA-N 306.370 1.711 0 40 DDAB CC(C)CN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 4041822 OWVKFTLJBNFQCI-INIZCTEOSA-N 311.385 1.919 0 40 DDAB biogenic O=C1C(=O)N(C2CC2)C(=O)N1Cc1nc(-c2ccccc2)no1 9255431 QZASPEZOPVFLGW-UHFFFAOYSA-N 312.285 1.190 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(C)on2)n1 13598247 IJQNIVUFJGJVEO-UHFFFAOYSA-N 308.363 1.750 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCCCCC3)ccc21 9255830 MLLCDSNMDKGOMO-UHFFFAOYSA-N 315.373 1.726 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccn1C)C2=O 39578240 PPHJSGFZRUMTJK-BDJLRTHQSA-N 303.362 1.709 0 40 DDAB CC/C(NCCCO)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 6186922 UNLHCMHAHCFVLD-OUKQBFOZSA-N 323.393 1.034 0 40 DDAB CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 95413257 MPNNDWPDOAQZNN-TZMCWYRMSA-N 307.369 1.979 0 40 DDAB CCN1C(=O)S[C@@H](N(CC(N)=O)c2ccc(C)cc2)C1=O 9338837 MVKWYZWLBZAKQH-CYBMUJFWSA-N 307.375 1.328 0 40 DDAB CCOc1ccc([C@@H](O)CCN[C@H](CC(=O)O)C(=O)O)cc1 27517039 SASDNCPIASGEEB-OLZOCXBDSA-N 311.334 1.026 0 40 DDAB Cn1ncc2c(Sc3nnc(-c4cccnc4)o3)ncnc21 14140329 NTWXUYRLLFDQMJ-UHFFFAOYSA-N 311.330 1.960 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)CCOc2ccccc2)C[C@@H](C)O1 14543955 DYYNUDZSDRJDRK-OKILXGFUSA-N 321.373 1.635 0 40 DDAB COc1cc(/C=C/C(=O)N2CCOCC2)c(OC)c2c1OCO2 15086046 VZRWAGWPQGVASR-ONEGZZNKSA-N 321.329 1.305 0 40 DDAB Cc1cnc(CCNC(=O)Nc2nnc3ccccn23)s1 96434686 NDQBCEVJAANNNW-UHFFFAOYSA-N 302.363 1.858 0 40 DDAB C[C@H]1CN(C(=O)NCc2nccn2C)CCN1CC(F)(F)F 96485881 LMLGGEADANZDJP-JTQLQIEISA-N 319.331 1.198 0 40 DDAB O=C(Cn1nc2c3ccccc3ncn2c1=O)NC1CCCC1 35483639 KZSVVXNKRSJQGV-UHFFFAOYSA-N 311.345 1.103 0 40 DDAB CN(Cc1ccc[nH]1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 80969984 HQTXINYYGSAJGE-SECBINFHSA-N 303.284 1.384 0 40 DDAB C[S@](=O)c1nncn1CCCOc1ccc2c(c1)OCO2 71899915 KAOPLJXFCLLFEM-OAQYLSRUSA-N 309.347 1.213 0 40 DDAB CCCn1c(SCC(=O)NC(C)=O)nc2ccccc2c1=O 7782120 GDALOTRMVHBFOL-UHFFFAOYSA-N 319.386 1.561 0 40 DDAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCn1nnc2ccccc21 9667817 MZRAMIONGMHDHP-GFCCVEGCSA-N 324.340 1.751 0 40 DDAB O=C(CN1CSCC1=O)NCC12CC3CC(CC(C3)C1)C2 8342809 WWGBJFUUGPBNAM-UHFFFAOYSA-N 308.447 1.852 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cccnc2)c(OC)c1 17031715 UWQCJUMGPFHRDT-UHFFFAOYSA-N 308.359 1.577 0 40 DDAB Cc1nc(-c2ccsc2)ccc1C(=O)NCCS(C)(=O)=O 69492553 PAKHKDLESWEQJE-UHFFFAOYSA-N 324.427 1.893 0 40 DDAB C[C@H](NC(=O)NCc1nccs1)C(=O)N1CCCC[C@H]1C 69632579 XAWJCGLSHWLAOC-MNOVXSKESA-N 310.423 1.732 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1cn(-c3ccccc3)nn1)CC2 69664824 GDJQOIKFVQETDM-CYBMUJFWSA-N 323.404 1.526 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)CC1 69697398 AWGUJNUKOFXHFG-DLBZAZTESA-N 321.469 1.083 0 40 DDAB CC[C@@H](NC(=O)N1CCc2ccccc21)C(=O)N1CCOCC1 83995743 WAAWCVLWPPIRBZ-CQSZACIVSA-N 317.389 1.396 0 40 DDAB COc1ccccc1C1(CNS(=O)(=O)N2CCCC2)CC1 69705349 XWUFRDNOWDHLCJ-UHFFFAOYSA-N 310.419 1.657 0 40 DDAB Cc1cn2c(CNC[C@H]3CN(C4CC4)CCO3)c(C)nc2s1 69894302 PITNEICFXFBSMJ-AWEZNQCLSA-N 320.462 1.965 0 40 DDAB CCc1noc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 69818172 LFLZINJYIDBQNQ-CYBMUJFWSA-N 304.398 1.753 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc[nH]c2=O)c1C 69811861 JAZFLPJXYREZJI-UHFFFAOYSA-N 322.342 1.271 0 40 DDAB CCCCn1nnnc1CN1CCn2c(nnc2C(C)C)C1 69967222 IVEWOBWWIIBSJD-UHFFFAOYSA-N 304.402 1.204 0 40 DDAB Cc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3nccs3)C2)n1 69920315 HHSNEXMRUWPHPE-NSHDSACASA-N 305.407 1.840 0 40 DDAB CC(C)OC(=O)c1cccnc1N1CC[S@](=O)C(C)(C)C1 97140768 QMOOBNXTCRHYHZ-OAQYLSRUSA-N 310.419 1.994 0 40 DDAB O=C(COc1ccc2c(c1)CCC2)N[C@H]1CCc2nccn2C1 97197759 MRFBPQRDQXWRGJ-HNNXBMFYSA-N 311.385 1.882 0 40 DDAB CC(=O)Nc1nc(CN2CCn3c(nnc3C3CC3)C2)cs1 89265679 KHNHNUDVFFREIW-UHFFFAOYSA-N 318.406 1.586 0 40 DDAB Cc1cccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 97378697 FEZSJXIDAOGOBL-OCCSQVGLSA-N 304.394 1.574 0 40 DDAB O=C(O)C[C@H]1CN(S(=O)(=O)c2cn[nH]c2)c2ccccc21 88452311 PEEOXFCZZSKYPC-VIFPVBQESA-N 307.331 1.177 0 40 DDAB CN1CCN(C(=O)c2ccc(=O)n(C)c2)[C@@H](c2ccccc2)C1 95949433 WJGRPNIUESAZSA-MRXNPFEDSA-N 311.385 1.514 0 40 DDAB CCC(CC)[C@H](O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 75137109 DIGSKZOIOITFPK-CYBMUJFWSA-N 303.362 1.450 0 40 DDAB Cc1nnc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)o1 75603689 DBLOLMYGOLFOCN-ZDUSSCGKSA-N 322.434 1.945 0 40 DDAB CCOc1ccc(/C=C/C(=O)NCCC(=O)OC)cc1OC 32988880 BJPYBBNIBYJMOM-SOFGYWHQSA-N 307.346 1.786 0 40 DDAB Cc1cc2oc(=O)cc(CN3CCC(C(N)=O)CC3)c2cc1O 6759255 WNTXWGWUEXSHGE-UHFFFAOYSA-N 316.357 1.504 0 40 DDAB biogenic CC(C)CCNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O 32124341 ZDBRXCJAHJNHLV-ZDUSSCGKSA-N 303.362 1.939 0 40 DDAB biogenic O=C(O)c1c[nH]c(=O)n(-c2cccc(Cl)c2Cl)c1=O 78401836 SGMRETRGAMAIEY-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB CCOC(=O)c1ccc(N2CCN(CC(C)C)C(=O)[C@H]2C)nc1 32516133 JMPIMHJTLSBGSJ-CYBMUJFWSA-N 319.405 1.951 0 40 DDAB O=C1O[C@@H](C(=O)Nc2ccnc3ccnn23)Cc2ccccc21 78717213 WLBCNDOVMOLCQZ-GFCCVEGCSA-N 308.297 1.450 0 40 DDAB CN(C[C@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 79412268 SHMVJVHCUBHQQG-CQSZACIVSA-N 305.378 1.205 0 40 DDAB O=C(NCCc1ccncc1)[C@H]1CCCN(c2ncccn2)C1 79488422 KYPIOYOPHDSJSY-HNNXBMFYSA-N 311.389 1.447 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N(C)Cc1nccn1C(F)F 72766136 PAYHHCOFZYTGIE-SECBINFHSA-N 310.308 1.527 0 40 DDAB COc1cc(CCNC(=O)NCc2ccn(C)c2)ccc1O 81495816 GEUXPOXEHLYIIF-UHFFFAOYSA-N 303.362 1.781 0 40 DDAB CCc1nc(C)c(CN2CCCC[C@H]2C(=O)N2CCOCC2)o1 572221922 MEKNDBXTIGMCAN-AWEZNQCLSA-N 321.421 1.759 0 40 DDAB Cn1cc(C(=O)NC[C@@H](O)c2csc3ccccc23)nn1 225694247 INJDIESHBGZQRA-GFCCVEGCSA-N 302.359 1.493 0 40 DDAB CN1CCC[C@H](C(=O)NCCCN2CCc3ccccc32)C1 81247190 IJMBSERMLXLIGO-INIZCTEOSA-N 301.434 1.897 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 225713285 QSKDPRVTIGHXSF-LBPRGKRZSA-N 312.439 1.205 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(N(C)C)n1 224236367 PEXOAFQACGSZBC-GFCCVEGCSA-N 300.362 1.626 0 40 DDAB Fc1cccc(CN2CCn3cc(Cn4cncn4)nc3C2)c1 96197381 NPXWOPJCTBQGHR-UHFFFAOYSA-N 312.352 1.678 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2cccnc2)C1 96226915 IMHWYQHAJNIREM-CZUORRHYSA-N 302.378 1.850 0 40 DDAB C[C@@H](CCNC(=O)Nc1cnc(N(C)C)nc1)N1CCCCC1 96502438 URWFTRGXIZCFRN-ZDUSSCGKSA-N 320.441 1.929 0 40 DDAB CN(C(=O)N[C@@]1(C)CCS(=O)(=O)C1)c1ccc(F)cc1 190455499 CZSIZTYFMIPWHI-ZDUSSCGKSA-N 300.355 1.549 0 40 DDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(CC3CC3)C[C@@H]2O1 96056671 WRZDHYWXDZYKDM-FMKPAKJESA-N 303.406 1.254 0 40 DDAB Cc1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nn1 96067891 DZHIUUVEXWHKIZ-UHFFFAOYSA-N 312.421 1.640 0 40 DDAB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474179 VZXZPGXQVMPTQF-LLVKDONJSA-N 300.362 1.688 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158242 FJMCGEIZUUXZQO-KRWDZBQOSA-N 312.421 1.703 0 40 DDAB c1cncc(CN2C[C@@H]3CN(CC4CCOCC4)C[C@H]3C2)c1 96053769 FLBDHEYDTAHNDA-ROUUACIJSA-N 301.434 1.872 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccco2)C1 96227191 OZIFHBOHZOJGOP-CZUORRHYSA-N 305.378 1.726 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@]2(CCN(c3ccsc3)C2=O)C1 96159548 ICJRKGSYUTXQIB-LRDDRELGSA-N 320.414 1.740 0 40 DDAB COc1ccc2cnn(C[C@@H]3CCCCN3)c(=O)c2c1OC 96511203 YNZNUAAWWUYHOP-LBPRGKRZSA-N 303.362 1.556 0 40 DDAB COC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1 96059095 VCAJXGAKRVOCQA-ZDUSSCGKSA-N 300.362 1.505 0 40 DDAB CCn1ncc2c1[C@@H](COC)CN(C(=O)C1CCOCC1)C2 96198337 VGVHQNRNRVJKBU-CQSZACIVSA-N 307.394 1.402 0 40 DDAB O=C1COC2(CCN(C(=O)c3ccco3)CC2)CN1CC1CC1 96201396 YODWUHFRYJUGQJ-UHFFFAOYSA-N 318.373 1.523 0 40 DDAB Cc1nn(C)c(C)c1OC(=O)Cn1c(=O)cnc2ccccc21 96424006 XXQHAUGEDNDTSK-UHFFFAOYSA-N 312.329 1.352 0 40 DDAB Fc1cnc(N[C@@H]2CO[C@@]3(CCN(c4ccncn4)C3)C2)nc1 96072824 VMJFDOFAMRDEOX-WFASDCNBSA-N 316.340 1.256 0 40 DDAB CCS(=O)(=O)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 96226237 JZXMUPLUXZJFEN-INIZCTEOSA-N 324.446 1.708 0 40 DDAB CN(Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(C(N)=O)C2)O1 96160641 GIHOCKJCWAKLDO-GDBMZVCRSA-N 323.393 1.040 0 40 DDAB C[C@H](NCCOc1cccnc1)c1ccc(-n2cnnn2)cc1 96477697 OJUCYPXWALITMI-ZDUSSCGKSA-N 310.361 1.787 0 40 DDAB Cn1cc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cn1 96064779 FHGGPJVKIBCORM-IKGGRYGDSA-N 305.422 1.969 0 40 DDAB O=C([C@H]1CO[C@H]2CCN(c3ncccn3)C[C@H]2C1)N1CCCC1 96042647 BABDSZFDXQRPSV-KFWWJZLASA-N 316.405 1.330 0 40 DDAB CC(C)CSCCN1CCC(N(C)S(C)(=O)=O)CC1 96485405 VTUZYWFVUVGEIX-UHFFFAOYSA-N 308.513 1.731 0 40 DDAB CN(C)C(=O)N1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 96159500 FGBHYGKIFUPXLR-MRXNPFEDSA-N 302.378 1.188 0 40 DDAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2nccn2C)nc1 257305895 SRZWBIJMOVZIET-INIZCTEOSA-N 313.405 1.788 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(Cc3ncccc3F)CCO2)n1 257251692 JRURXHJFLLRXEY-AWEZNQCLSA-N 304.325 1.598 0 40 DDAB Cc1ncoc1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257294924 QWHOEIKHSCADNZ-INIZCTEOSA-N 316.361 1.091 0 40 DDAB O=C(c1ccsc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257225089 FETMZBYHYXMXGG-ZDUSSCGKSA-N 319.386 1.718 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575403415 KFCMKNPXDVESSN-LBPRGKRZSA-N 316.386 1.584 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCCn1cc(-c2ccco2)cn1 575606974 RMYBTGUQCMVRGT-UHFFFAOYSA-N 313.361 1.923 0 40 DDAB O=C(NCC[C@H]1CN(CC2CC2)Cc2ccnn21)N1CCCC1 585112481 RTNCPHBHFUHVCW-HNNXBMFYSA-N 317.437 1.845 0 40 DDAB CC(C)N1C[C@@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O 585099681 XEFPKIKKUCPCPE-HNNXBMFYSA-N 308.813 1.963 0 40 DDAB CC(C)c1noc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)n1 583339055 RWSWSSHVQZYACC-SNVBAGLBSA-N 302.400 1.053 0 40 DDAB Cc1nccn1CCCC(=O)N1CCC[C@@H]1Cn1cccn1 70039906 PTVXJVPKIIJBCS-OAHLLOKOSA-N 301.394 1.859 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 32916643 FJLBQRVHQSTZGR-JTQLQIEISA-N 315.370 1.371 0 40 DDAB Cc1nnc(N2CCC(N3CC[C@H](O)C3)CC2)c2ccccc12 1776007864 IHRJXCBWFOQZCE-HNNXBMFYSA-N 312.417 1.974 0 40 DDAB C[C@H](NC(=O)Cn1cnnn1)c1ccc(OC(F)(F)F)cc1 40509454 BSKVTAROSZHXPD-QMMMGPOBSA-N 315.255 1.449 0 40 DDAB Cn1cnnc1CNS(=O)(=O)Cc1cc(Cl)ccc1F 79108376 TUKLATHZNJLNJK-UHFFFAOYSA-N 318.761 1.227 0 40 DDAB O=C(O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 974434 FZNMEBHOYAUETL-WMZJFQQLSA-N 307.283 1.536 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2)nn1 5026080 JVJRXBHNXHHYGG-UHFFFAOYSA-N 304.306 1.102 0 40 DDAB CC1(C)[C@H]2C[C@H]3[C@H](C(=O)O)[C@H](C(=O)O)CC[C@@]3(C2)[C@@H]1OC=O 5103438 OKHXQTPTECWEFQ-RNZWXWSUSA-N 310.346 1.776 0 40 DDAB CO[C@H]1CCC[C@H]2O[C@]3(OC)[C@@H](OC)CCC[C@@H]3O[C@@]12OC 5574154 UNVDUVYQZLAAOQ-AYYATWNNSA-N 316.394 1.854 0 40 DDAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C)CC1 19502119 SWUZLGZVGLXECM-HUUCEWRRSA-N 322.457 1.331 0 40 DDAB Cc1[nH]c2ccc(C(=O)N3CC[C@@](O)(CN(C)C)C3)cc2c1C 607854325 RQUSWTIETHLAPO-GOSISDBHSA-N 315.417 1.923 0 40 DDAB Cn1cncc1CN1CC[C@](O)(COc2cccc(F)c2)C1 643914074 KNFVDJXIXVMXHC-MRXNPFEDSA-N 305.353 1.575 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@H]1COc2ccccc2O1 6549181 LLGJTNRITFCRIZ-NSHDSACASA-N 302.330 1.691 0 40 DDAB O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1cccc(F)c1 24595598 AHHGKLYHIXGQET-UHFFFAOYSA-N 319.380 1.709 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1 1565546629 BFEAQAGWWUJPNE-RWMBFGLXSA-N 310.369 1.021 0 40 DDAB Cc1ccc(N(C(=O)[C@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1 4165302 VSRJBZMELHQYPR-HUUCEWRRSA-N 321.398 1.818 0 40 DDAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CC1 2055738704 LCNWOJAQXXGTDA-NSHDSACASA-N 303.362 1.294 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1sccc1C 585306144 KSZUTLQBSKJWSM-NWDGAFQWSA-N 311.403 1.778 0 40 DDAB NC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 99800 WXKAZKGPFWNRDV-UHFFFAOYSA-N 300.314 1.131 0 40 DDAB CC[C@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CCO1 30596858 YAOUAHYWJZUIIE-ZDUSSCGKSA-N 312.391 1.309 0 40 DDAB Cc1nc(C)c(CC(=O)NCCc2ccccc2F)c(=O)[nH]1 31215324 CJCQBTKZPRVTME-UHFFFAOYSA-N 303.337 1.427 0 40 DDAB CN(C(=O)CN1C(=O)COc2ccccc21)c1nccs1 40512980 LIMSGPHNRWATEH-UHFFFAOYSA-N 303.343 1.532 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccncc2)c1 40553985 HLAASMDHLKYKIG-AWEZNQCLSA-N 317.345 1.954 0 40 DDAB CC(C)Oc1ccc(C(=O)NCc2nnc3n2CCC3)cn1 32059050 YNXXDCVJYFHBHB-UHFFFAOYSA-N 301.350 1.337 0 40 DDAB O=C(NS(=O)(=O)c1ccc(Cl)cn1)C1[C@@H]2CCCC[C@@H]12 101500463 QVQJGKUFZWGCML-NXEZZACHSA-N 314.794 1.976 0 40 DDAB CCOc1ncccc1C(=O)NCCN1CCCCCC1=O 32309532 MGHBTVPKEWZFDO-UHFFFAOYSA-N 305.378 1.613 0 40 DDAB O=C(NCCCN1CCCC1=O)c1c[nH]c2ccccc2c1=O 32645520 LDSMCYVQSNKEJJ-UHFFFAOYSA-N 313.357 1.270 0 40 DDAB C[C@H](C(N)=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804131 AJJQTHXZARTIFN-CYBMUJFWSA-N 315.417 1.157 0 40 DDAB CC(C)[C@@H](C)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 21872376 SGJAWHUFAWSSKO-SNVBAGLBSA-N 318.464 1.614 0 40 DDAB Cc1csc(=O)n1CC(=O)OCC(=O)NC1CCCCC1 22373497 TVTYBNDEPJTCIU-UHFFFAOYSA-N 312.391 1.210 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N2CCC(c3nc(C)no3)CC2)C1 53448534 PGGVHZKEWXYJIH-AWEZNQCLSA-N 320.393 1.343 0 40 DDAB CC[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53678503 SPWUPHCSBSGCSY-LLVKDONJSA-N 310.419 1.790 0 40 DDAB CC(C)CN1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 53756605 NEZFYGUOMSVZKY-UHFFFAOYSA-N 314.393 1.076 0 40 DDAB C[C@]12CCC(=O)N1[C@H](C(=O)NC1CCSCC1)CS2 95393563 BTIHEFRJUFJBKI-GWCFXTLKSA-N 300.449 1.452 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)no1 12446716 UOZPBUJPTPZCSP-QMMMGPOBSA-N 323.330 1.503 0 40 DDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cn1 61717441 MMGTUGYZYDGFKY-JTQLQIEISA-N 302.309 1.551 0 40 DDAB COCCC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 78624457 RCDHDSOELFOBFP-UHFFFAOYSA-N 300.399 1.977 0 40 DDAB Cn1c(-c2ccccc2)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 970271 KNJBLGDOIPYGAI-ZKYQVNSYSA-N 317.370 1.873 0 40 DDAB CCc1cnc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)s1 78973849 UWXRGKFXULRDLO-LLVKDONJSA-N 324.450 1.545 0 40 DDAB CN(C)S(=O)(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 104826963 OUQUMRZFHXEVPX-ZDUSSCGKSA-N 312.391 1.289 0 40 DDAB CNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 54950804 GYLZAYJBTDFJFW-ZDUSSCGKSA-N 323.393 1.006 0 40 DDAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)NC1CC1 6322471 UCKHYUPJOGUHTR-UHFFFAOYSA-N 324.387 1.754 0 40 DDAB CCCNC(=O)NC(=O)Cn1cccc(C(F)(F)F)c1=O 24987757 GRSQXFSIOOJEIA-UHFFFAOYSA-N 305.256 1.103 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 12505333 FJUSTOBRWWALKK-UHFFFAOYSA-N 304.755 1.220 0 40 DDAB COC(=O)c1ccoc1CN1Cc2ccccc2C[C@H]1C(N)=O 25167229 UGGXHDKHWZIZEO-AWEZNQCLSA-N 314.341 1.478 0 40 DDAB CCOc1cccc(N2CCN(C(=O)c3cc(C)n[nH]3)CC2)n1 106836435 IKRRAUJCQZNIED-UHFFFAOYSA-N 315.377 1.474 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 107057911 HYROCSDPMPHOBT-NCOADZHNSA-N 324.465 1.761 0 40 DDAB CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(C(C)=O)CC1 57445025 SDULFXCIKODAIX-OAHLLOKOSA-N 323.437 1.248 0 40 DDAB CCCCOC[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2091581 OVGNNZJDYJKHBE-XHSDSOJGSA-N 320.433 1.445 0 40 DDAB biogenic NC(=O)NC(=O)COC(=O)c1sc2ccccc2c1Cl 3299124 RIBMBNMYRCRRTJ-UHFFFAOYSA-N 312.734 1.906 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc2c(c1)OCO2 58160247 GQLGJKQVYTXHGB-ZJUUUORDSA-N 307.350 1.840 0 40 DDAB O=C(NCCn1ccnc1)c1cccc(OC[C@@H]2CCCO2)c1 44896943 ANTMVVWSNZPUPZ-INIZCTEOSA-N 315.373 1.871 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 44888931 MYDLJBBAZZTQCW-CHWSQXEVSA-N 312.410 1.929 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(NC2CC2)nc1 58289705 CBEVVYHPLMGDMY-UHFFFAOYSA-N 320.393 1.910 0 40 DDAB O=C(CNC(=O)NCc1nccs1)Nc1ccc(F)cc1 58214892 JYBYZJMYIYRAHR-UHFFFAOYSA-N 308.338 1.720 0 40 DDAB COCCNC(=O)c1cc(-c2cc(OC)ccc2OC)on1 58268570 HHPFHDDGJRUZPB-UHFFFAOYSA-N 306.318 1.735 0 40 DDAB CC(C)N(C)S(=O)(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 44937275 UANPZNLTIFYLBI-NSHDSACASA-N 314.407 1.693 0 40 DDAB Cc1ncc2c(n1)CCN(Cc1nc(N)c3ccccc3n1)C2 44977562 TXDDDQULFYBNCT-UHFFFAOYSA-N 306.373 1.869 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCCN(CC)CC)C1=O 20330275 RBRVLFBPYAWKTG-OUKQBFOZSA-N 324.425 1.070 0 40 DDAB O=C(CCn1ncc(=O)c2ccccc21)NC1CCSCC1 58377774 HQVBIGSNSXICHA-UHFFFAOYSA-N 317.414 1.798 0 40 DDAB COc1cc(OC)cc(C(=O)O[C@@H](C)CN2CCOCC2)c1 95458433 JNGXWUVFHXXVLL-LBPRGKRZSA-N 309.362 1.581 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NC[C@H]1CCCO1 12777990 CFRMWOQNGSXMTD-SNVBAGLBSA-N 307.375 1.143 0 40 DDAB COc1cccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1 2518287 YWXAADJDDXPSLZ-NEPJUHHUSA-N 311.334 1.707 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)N2CCOCC2)ccn1 46101211 CSJGEKUVCGXFPK-UHFFFAOYSA-N 301.350 1.118 0 40 DDAB CCN1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1 22585825 WYTKHOABGPONOX-UHFFFAOYSA-N 307.394 1.280 0 40 DDAB O=C(NC[C@H]1CCOC1)N1CCN(Cc2ccsc2)CC1 47067779 XSQSXFGSNISPLW-CYBMUJFWSA-N 309.435 1.612 0 40 DDAB COC[C@H](C)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 10683135 KVZUXCDNRMEQBF-VIFPVBQESA-N 312.753 1.217 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN1c1nccc(C(F)(F)F)n1 25570519 YFZPMPPUVZUFMN-SECBINFHSA-N 300.284 1.743 0 40 DDAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 95431618 UYYYGXBKVYYPJS-JTNHKYCSSA-N 313.444 1.853 0 40 DDAB CCOC(=O)Cn1nc(/C=C/c2ccc(OC)cc2)ccc1=O 4041653 ONBGZROIRVECGC-QPJJXVBHSA-N 314.341 1.985 0 40 DDAB Cc1nc2ccccc2c(NC[C@@H](O)CN2CCOCC2)c1C 96009695 PIWWQLVIJQVKHC-OAHLLOKOSA-N 315.417 1.957 0 40 DDAB O=C1c2ccccc2[C@H](O)N1CCN1C(=O)c2ccccc2[C@@H]1O 13945683 WCJFLPQXCFNBSY-RDJZCZTQSA-N 324.336 1.280 0 40 DDAB CCOc1ccc(C[C@H](CNC(=O)c2ccoc2)C(N)=O)cc1 65492132 PMXQJFUSUXVQNO-CQSZACIVSA-N 316.357 1.752 0 40 DDAB Cc1nc(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)s1 6366657 HCTVLVOUENIPDA-UHFFFAOYSA-N 313.379 1.541 0 40 DDAB C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H](c2ccccc2)O1 65515020 USRCAALWEHWWKP-DZGCQCFKSA-N 302.374 1.597 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)c1cc(OC)c2c(c1)OCCO2 65516180 AMHBINYQNPHLJZ-LLVKDONJSA-N 321.329 1.244 0 40 DDAB C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)c1nc[nH]n1 95405477 KWNHZJPJWFWHJR-SSDOTTSWSA-N 315.255 1.632 0 40 DDAB CCN1C(=O)C(=C(C)Nc2cccnc2)C(=O)N(CC)C1=S 6585533 MKJAOONGLLIRBJ-UHFFFAOYSA-N 318.402 1.763 0 40 DDAB Cc1cc(CN2Cc3ccnn3[C@@H](C(=O)NC(C)C)C2)n(C)n1 306141904 WJRVGMIKFOSREK-OAHLLOKOSA-N 316.409 1.007 0 40 DDAB C[C@@H](NC(=O)CSc1ncc(CO)n1C)c1ccccc1 90243339 JBEBCTHAYMNQAD-LLVKDONJSA-N 305.403 1.882 0 40 DDAB Cc1c(Cl)cccc1N(CCCC(N)=O)S(C)(=O)=O 113965300 FCIRIDDUONTDKI-UHFFFAOYSA-N 304.799 1.680 0 40 DDAB COc1ccc(CC(=O)NCCc2nnc3ccccn23)cc1 16491264 BQYUNCNCAHLDLO-UHFFFAOYSA-N 310.357 1.639 0 40 DDAB COc1ccccc1CCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 71829872 DYYGCUAISZZXSH-GXTWGEPZSA-N 304.390 1.740 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1ccccc1COC)C2 69483779 AVPLQUVHCURNGD-UHFFFAOYSA-N 300.362 1.643 0 40 DDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1 71828362 XLPCWJNSOGXENS-ZDUSSCGKSA-N 320.393 1.498 0 40 DDAB O=C(c1cccnc1-n1cccn1)N1CCN2CCCC[C@@H]2C1 71839838 ZOCZETGQGMENHE-CQSZACIVSA-N 311.389 1.578 0 40 DDAB COC[C@]1(C)NC(=O)N(Cc2ccc(F)cc2C(=O)OC)C1=O 69737881 GYSAMVHAUKLCBB-HNNXBMFYSA-N 324.308 1.069 0 40 DDAB CCC(NNc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 17945579 KLCWJKHTVPHREX-UHFFFAOYSA-N 302.334 1.318 0 40 DDAB COc1ccccc1CNC(=O)Cc1c(C)nc(C)[nH]c1=O 19937492 ZOSBIJXXNPOMAK-UHFFFAOYSA-N 301.346 1.254 0 40 DDAB CC(C)CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 73427009 XDYQRHNPNXJAAP-ZDUSSCGKSA-N 310.442 1.027 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)COc2cccnc2)n1 69924834 FXBVCQYLLPZJGF-HNNXBMFYSA-N 314.389 1.965 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCN(CC(C)(C)O)CC1 69947325 YOMBLWSATAVMQI-UHFFFAOYSA-N 309.410 1.635 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCCC[C@@H]1Cn1cccn1 69946887 CAIWKMRIOBNEJX-OAHLLOKOSA-N 316.405 1.989 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)c(=O)n1C 69971536 JQXLSFFRUYMXNN-AWEZNQCLSA-N 314.389 1.585 0 40 DDAB CN(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)c1cccnn1 83859284 CEWDLJRHSLRFOZ-MRXNPFEDSA-N 316.380 1.953 0 40 DDAB COCCCNC(=O)CN(C)c1ccc2ccc(F)cc2n1 83857579 LOQJWLMKCNMVFT-UHFFFAOYSA-N 305.353 1.963 0 40 DDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@H]2C[C@H](C)OC2=O)C1=O 8724607 DGOYYDYUERXRRL-RVIYUIFMSA-N 320.320 1.687 0 40 DDAB CN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CCCc2ccccc21 8769481 VYTSBZUTJDYJPE-MRXNPFEDSA-N 313.401 1.593 0 40 DDAB NC(=O)[C@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)C1 71955455 NVWFHZFDIDYRCI-LBPRGKRZSA-N 308.345 1.103 0 40 DDAB O=C(NCc1nnc2n1CCC2)N[C@@H]1CCc2c(O)cccc21 71920311 OTWIFDQQKAKKIJ-GFCCVEGCSA-N 313.361 1.417 0 40 DDAB Cn1nnc2cc(C(=O)OC3CCN(CC(F)F)CC3)ccc21 97079899 KGXCPJWUYWFIEL-UHFFFAOYSA-N 324.331 1.855 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269096 RHDAWVHRYNVVRO-CABCVRRESA-N 310.344 1.636 0 40 DDAB NS(=O)(=O)CCC[S@](=O)Cc1cccc2ccccc12 95964056 MIZBRPGSRZWNRM-LJQANCHMSA-N 311.428 1.767 0 40 DDAB Cn1cc(-c2ncc(C(=O)OCC(=O)N3CCCC3)s2)cn1 84318880 ODDHFDXNBLSABT-UHFFFAOYSA-N 320.374 1.323 0 40 DDAB CCOC(=O)CSc1nc2ccc(C)cc2n2nnnc12 72422460 SDTRHWHMFZOBSU-UHFFFAOYSA-N 303.347 1.636 0 40 DDAB O=C(NCCn1cccc1)NC[C@@H]1COC2(CCCCC2)O1 95986861 OOIFNTBHNOFXQH-CQSZACIVSA-N 307.394 1.863 0 40 DDAB CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(-n2ccnc2)n1 95993018 NCDGXWXOSYXKDS-JOCHJYFZSA-N 320.418 1.544 0 40 DDAB O=C(Cc1c(Cl)cccc1Cl)N[C@@]1(C(=O)O)CCOC1 85854142 XHZZGXXPGBOZEJ-ZDUSSCGKSA-N 318.156 1.896 0 40 DDAB CC[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC)CCO1 89949265 IOYAETJODBZFBW-LBPRGKRZSA-N 311.403 1.731 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NCC[C@H](O)C(C)C)CC2=O)cc1 76022716 QHJLAWVLGFLZSM-HOCLYGCPSA-N 318.417 1.871 0 40 DDAB COc1c(C)cnc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1C 76048775 HULCKZDOFSMBSE-CQSZACIVSA-N 317.393 1.707 0 40 DDAB O=C(C1CC1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327379 BHKSTCNXUKDMJG-QWHCGFSZSA-N 309.369 1.722 0 40 DDAB Nc1nc([C@H]2CCCCN2C(=O)CO)cc(C(F)(F)F)n1 72366621 OTJMKDYWQLIJES-MRVPVSSYSA-N 304.272 1.124 0 40 DDAB COCCn1ccc(=O)c(OCC(=O)Nc2ccccc2)c1C 61717931 PTUAWDLNBNUBDD-UHFFFAOYSA-N 316.357 1.821 0 40 DDAB CCO[C@@H]1C[C@](O)(CNCc2cnc3ccccn23)C1(C)C 188926603 QPMFPAXKHMCZNX-PBHICJAKSA-N 303.406 1.990 0 40 DDAB CC1(C)CC(NC(=O)C(=O)Nc2ccc(O)cc2)CC(C)(C)N1 36359508 NITHVAPTQHEGSO-UHFFFAOYSA-N 319.405 1.756 0 40 DDAB Cc1cncnc1[C@H]1CCCCN1S(=O)(=O)c1cn(C)cn1 72364480 XVMQGOBRQKJRJO-GFCCVEGCSA-N 321.406 1.434 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 31815744 FRPPTPDWLRYOFA-AWEZNQCLSA-N 314.389 1.707 0 40 DDAB CCc1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)cc1 36635297 CSRINDXLOLGPLA-GFCCVEGCSA-N 303.387 1.891 0 40 DDAB Cc1noc([C@H]2COCCN2C(=O)c2cccn2C(C)C)n1 120964093 DJRKSZKXYWQWGM-CYBMUJFWSA-N 304.350 1.974 0 40 DDAB COCC(=O)N1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 72374120 HCJWCRFZOHKOHK-AWEZNQCLSA-N 312.373 1.891 0 40 DDAB CC(=O)N(C)CCCN(C)C(=O)c1ccc2n[nH]c(C)c2c1 1066567986 XEFGHBJFTKFBQT-UHFFFAOYSA-N 302.378 1.812 0 40 DDAB CCSCCOC(=O)c1sccc1S(=O)(=O)N(C)C 78984614 YMJMEFGKTOEUQV-UHFFFAOYSA-N 323.461 1.908 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1 134664334 FXAJWUBFAYZPTL-UHFFFAOYSA-N 302.334 1.592 0 40 DDAB C[C@@]1(C(=O)NC[C@@H]2CCCO2)Sc2ccccc2NC1=O 40773705 IAWJKBWITFDGNI-BONVTDFDSA-N 306.387 1.785 0 40 DDAB CCOCC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44035172 SFTZLEGJZJWYJQ-UHFFFAOYSA-N 318.295 1.883 0 40 DDAB CCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1 44900510 XKVDTHQHKPTILZ-UHFFFAOYSA-N 321.410 1.532 0 40 DDAB Cc1cc(NC(=O)[C@H](C)[S@](=O)c2nncn2C(C)C)on1 86309599 MENZBAUQJFREMD-JLTPVHFHSA-N 311.367 1.290 0 40 DDAB CCn1ncnc1CN1CCC(Nc2nccc(OC)n2)CC1 192854910 WRQGEIOTGZOHJP-UHFFFAOYSA-N 317.397 1.173 0 40 DDAB CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)CCc1cccs1 195404405 DKIUELGDFOIMFG-SECBINFHSA-N 317.354 1.475 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(c1ncccn1)CC2 96071937 OUYSVZQWEWDISF-INIZCTEOSA-N 304.394 1.475 0 40 DDAB c1cnc(N2CC3(CCNCC3)C[C@@H]2COCC2CC2)nc1 96220750 SMEWFWNVEZHXNG-OAHLLOKOSA-N 302.422 1.852 0 40 DDAB Cn1cc(-c2cccc(CNC(=O)N3CCC[C@@H]3CO)c2)cn1 95447928 XBNYBEYMQNPFCA-MRXNPFEDSA-N 314.389 1.753 0 40 DDAB Cn1cc(CN2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)cn1 96060707 XJUYZJBUKDNVGC-CQSZACIVSA-N 316.409 1.075 0 40 DDAB O=C(O)[C@@H]1CCc2nn(Cc3cccc(F)c3)c(=O)cc2C1 96531417 UDQRYJDDGQDDFT-LLVKDONJSA-N 302.305 1.620 0 40 DDAB O=C(c1ccco1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 96081441 PYCSINURTPVWFW-ZNMIVQPWSA-N 304.390 1.853 0 40 DDAB O=C1NCCN(CC2CC2)C12CCN(Cc1ccccc1)CC2 96230190 RUPOGEKGUJVQPV-UHFFFAOYSA-N 313.445 1.863 0 40 DDAB O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCN(C2CC2)C(=O)C1 96450178 NOOXQYVQAZLPDN-CABCVRRESA-N 302.349 1.762 0 40 DDAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)C(F)(F)F 97378150 POFLXRDDDLMOBT-VHSXEESVSA-N 312.332 1.851 0 40 DDAB O=C(c1cnccn1)N1CC[C@]2(CCCN(CC3CC3)C2)C1 96215544 WTSYTFYWNMXXEH-KRWDZBQOSA-N 300.406 1.815 0 40 DDAB c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCCN3c2ccncn2)nc1 96042255 BFLIIAVCWCUCNI-YQQAZPJKSA-N 312.373 1.825 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1ccccc1 96200804 WIBFEHFZBMENPJ-IXDOHACOSA-N 302.418 1.939 0 40 DDAB O=C1COC2(CCN(Cc3ccco3)CC2)CN1CC1CC1 96062157 DPAALSRNJJCIAB-UHFFFAOYSA-N 304.390 1.883 0 40 DDAB O=C(Cc1ccsc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 96183929 RUEWPTRKCFUVPK-KGLIPLIRSA-N 304.415 1.902 0 40 DDAB COc1cc(N2CC3(C[C@H](OCC4CC4)CS3)C2)ncn1 247921438 XRTLXKSGBYVGPO-LBPRGKRZSA-N 307.419 1.976 0 40 DDAB CN[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O 257237776 HIDHZVSQXSQKSG-KBXIAJHMSA-N 322.405 1.680 0 40 DDAB CN(C)c1cc([C@@H]2CCCN(CC3(O)CCOCC3)C2)ccn1 257279123 OFCWCDVJHIDQOX-MRXNPFEDSA-N 319.449 1.869 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cc(C)on2)CCO1 257315207 VAJMOTPGEDQFAB-NSHDSACASA-N 303.322 1.028 0 40 DDAB COCCN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 69840917 UMEAQMCXCULSMX-UHFFFAOYSA-N 300.406 1.636 0 40 DDAB CN(C)c1cccc([C@@H]2CN(Cc3nccn3C)CCO2)n1 257234700 GUTMOAIHBJWOHP-AWEZNQCLSA-N 301.394 1.455 0 40 DDAB CCc1nc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)cs1 69817738 QFTZOFJKAIQVMC-CQSZACIVSA-N 323.462 1.919 0 40 DDAB CCc1noc(C)c1C(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 257266924 MFEDERRTQIVONS-LBPRGKRZSA-N 304.350 1.791 0 40 DDAB CCS(=O)(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257307388 SYKRRLVMFHAGJZ-UHFFFAOYSA-N 310.423 1.117 0 40 DDAB CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257337850 YURXHVZAWXUGKD-RBSFLKMASA-N 319.405 1.198 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)N[C@@H]1CCOc2ccccc21 43164793 ADBOGQHWJRZYEL-CHWSQXEVSA-N 303.362 1.478 0 40 DDAB Cc1cc(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)no1 253472188 KABAMVXRTOQECF-UHFFFAOYSA-N 322.346 1.366 0 40 DDAB CN(C)Cc1cnc([C@@H]2CN(CC3CCOCC3)CCO2)[nH]1 257270678 MVFRPTMPRVBXRK-HNNXBMFYSA-N 308.426 1.271 0 40 DDAB CCn1nnc(C)c1C(=O)N1CCN(C)c2cc(F)ccc21 297605753 GIUUBYDQACOFMV-UHFFFAOYSA-N 303.341 1.842 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828061 OCQNKBPGPUYBCR-CQSZACIVSA-N 319.311 1.977 0 40 DDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406478 XNRHYYZCRBQLRH-KBPBESRZSA-N 318.373 1.257 0 40 DDAB Cc1cc(C)n2cc(CN3CCC[C@H]3Cn3cncn3)nc2n1 69488846 CIMVOLMIEQNFMQ-HNNXBMFYSA-N 311.393 1.602 0 40 DDAB Cn1cnn(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1=S 32770229 PHMJDSZSOZRYAH-UHFFFAOYSA-N 317.418 1.672 0 40 DDAB Cc1nc(CC(=O)N2CCc3nnc(N(C)C)cc3C2)cs1 72279519 QTKMFLVFRSCPLO-UHFFFAOYSA-N 317.418 1.435 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)ccc2C)CCO1 75582736 NINOBZAIKYAKSB-HIFRSBDPSA-N 320.389 1.948 0 40 DDAB Fc1cnc(N2CCN(c3ncnc4ccccc34)CC2)nc1 273435144 AESKSROGDWRIRN-UHFFFAOYSA-N 310.336 1.886 0 40 DDAB CN(CC(C)(CO)CO)C(=O)Nc1cc(F)cc(Cl)c1 95984845 CPQILQOOLXBBAC-UHFFFAOYSA-N 304.749 1.934 0 40 DDAB CCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 12659492 WHYCYJUAIQNWPT-OBPIAQAESA-N 302.367 1.810 0 40 DDAB biogenic CN1CCN(C(=O)NCCCCOc2ccc(F)cc2)CC1=O 153123233 DDDOAHRGLOWDNN-UHFFFAOYSA-N 323.368 1.468 0 40 DDAB Nc1ncccc1-c1cccc(CN2CCCS2(=O)=O)c1 521398305 CGPQVFCFUAIHKN-UHFFFAOYSA-N 303.387 1.866 0 40 DDAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCC[C@H]1C(=O)O 247387529 KQASILUCSRZYAD-RWMBFGLXSA-N 319.357 1.834 0 40 DDAB Cc1ncsc1C(=O)NCc1nc(C2CCOCC2)no1 575605922 IBGYOFZRLFMUDD-UHFFFAOYSA-N 308.363 1.659 0 40 DDAB CC(C)[C@H](C)NC(=O)CSc1nnnn1-c1ccccc1 2635650 QJFZUVLMFHUTAI-NSHDSACASA-N 305.407 1.915 0 40 DDAB O=C1CCCN1CCN1CCC[C@@H](COc2ncccn2)C1 1848967987 RAADKPZLCJZCJH-CQSZACIVSA-N 304.394 1.190 0 40 DDAB CN1CC[C@]2(O)Oc3ccc(Br)cc3[C@H](O)[C@H]2C1 1889077987 YLHNNNJDAYNMMN-WXHSDQCUSA-N 314.179 1.515 0 40 DDAB CCn1ncc(Br)c1C(=O)NCc1cnn(C)c1 28234479 YYRPTHRKYINHGZ-UHFFFAOYSA-N 312.171 1.329 0 40 DDAB CC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840397 LVURJPSYMWDREG-MRXNPFEDSA-N 306.337 1.570 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1C 1614946521 JIQDZOCONJLQHW-LBPRGKRZSA-N 323.393 1.256 0 40 DDAB CO[C@H]1CO[C@]2(CCCN(C(=O)c3cnn4ccccc34)C2)C1 1565549154 MLRCYTQRTHGXIM-CXAGYDPISA-N 315.373 1.744 0 40 DDAB CC(C)C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772850 MWHGCOZZPZKZBO-UHFFFAOYSA-N 304.394 1.089 0 40 DDAB Cc1nc(C(=O)N2CC3(C2)CN(C)c2nccnc23)cs1 2055795754 QPFDZFSVFDDTTO-UHFFFAOYSA-N 301.375 1.085 0 40 DDAB CN(c1ccccn1)C1CCN(c2ncnc3c2cnn3C)CC1 1889133966 TVKMSEWMNRGICS-UHFFFAOYSA-N 323.404 1.864 0 40 DDAB COC[C@](C)(CNC(=O)c1ccc(C(F)(F)F)nc1)OC 575611427 FKPIMEWOTUNLOF-LBPRGKRZSA-N 306.284 1.882 0 40 DDAB COc1nc(CNC(=O)Nc2ccccc2OC)nc(OC)n1 575607448 NMSQSSLKQGOFSM-UHFFFAOYSA-N 319.321 1.219 0 40 DDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@]1(O)C=CCCC1 606440407 LSCTTYBFEDAKLY-MRXNPFEDSA-N 323.414 1.438 0 40 DDAB COc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1OC 20110632 CSVIMATZZVRPJI-UHFFFAOYSA-N 320.389 1.360 0 40 DDAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 81991 IOQUFWDJWFJQFA-UHFFFAOYSA-N 305.359 1.632 0 40 DDAB O=C(CCNc1ncccn1)N[C@@H]1CCCc2[nH]c(=O)ccc21 51064425 KMJIKAANJJKQLU-CYBMUJFWSA-N 313.361 1.161 0 40 DDAB O[C@@H](CN1CCN(c2ncccn2)CC1)c1cccc(F)c1 51091166 OBAWAEOJPGJARC-HNNXBMFYSA-N 302.353 1.471 0 40 DDAB OCCc1cn(C[C@@H]2CCCN(C3CCSCC3)C2)nn1 20997190 DZHBPXUUJRCGKP-CYBMUJFWSA-N 310.467 1.421 0 40 DDAB O=C(CCN1CCC2(CC1)OCCO2)N1CCc2ccccc21 32825310 RVCHXJOULUXQHV-UHFFFAOYSA-N 316.401 1.805 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc[n+]1[O-] 47298212 FRWYNMWBFALSDP-GFCCVEGCSA-N 300.314 1.232 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 37462519 AKESAKJUKMTKNA-SNVBAGLBSA-N 301.339 1.619 0 40 DDAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 488521 SMLSGZWTQNCHJF-JFILPPLUSA-N 301.298 1.066 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)CN3CCCCC3=O)c2)n1 97084743 MZHFECPCOALYAZ-UHFFFAOYSA-N 313.361 1.433 0 40 DDAB COc1cccc2c1OC[C@@H](Nc1cnn(C)c(=O)c1Cl)C2 77358095 YVLRFNZDKIKZLE-JTQLQIEISA-N 321.764 1.858 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1C 79099928 OQGRBKCWNLHQMF-SWLSCSKDSA-N 324.446 1.765 0 40 DDAB O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccccc1 3111435 DHSOLSIBYMKSBG-ZDUSSCGKSA-N 307.371 1.405 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1CCN(c2cnccn2)CC1 42633242 JQRARHDTFPIBAF-NSHDSACASA-N 318.406 1.082 0 40 DDAB O=C(Nc1cccc2cn[nH]c12)c1cccnc1-n1cncn1 24440031 LJESNKOODGORPE-UHFFFAOYSA-N 305.301 1.791 0 40 DDAB C[C@H]1CN(C(=O)[C@H](C)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 12563372 FLHKCTUPMIRJFI-TUAOUCFPSA-N 306.362 1.852 0 40 DDAB O=C([C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N1CCOCC1 106649880 IFQMEMFEGCCWAF-CAOSSQGBSA-N 320.433 1.663 0 40 DDAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2ccnn2)C1 106759888 NWSSWWIAJSVBOG-GDBMZVCRSA-N 313.405 1.620 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccoc2)CC1 25747780 AONGBMRMMXFEEE-UHFFFAOYSA-N 316.332 1.946 0 40 DDAB O=C1CC[C@H]2CN(c3cn[nH]c(=O)c3Cl)CC[C@@H]2N1C1CC1 108489497 BHDLAYHCMDZGIN-ONGXEEELSA-N 322.796 1.403 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(CC3(O)CCCCC3)CCO2)n1 72253974 WHSKRNIYPOXHBF-HNNXBMFYSA-N 308.426 1.291 0 40 DDAB Cn1ncc2c(=O)[nH]c(/C=C/c3ccc4c(c3)OCCO4)nc21 48264065 JWCVPTURQLIPLG-HWKANZROSA-N 310.313 1.598 0 40 DDAB C[C@H](CNC(=O)NC[C@H]1CCCO1)N1CCc2sccc2C1 48263092 WZJODQHTXHCTNJ-TZMCWYRMSA-N 323.462 1.973 0 40 DDAB Cc1nc(COc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)no1 27396885 CMIYLGZZOUHAFN-AWEZNQCLSA-N 317.345 1.866 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n1 44916237 QYXADBRYLOAOJB-INIZCTEOSA-N 320.437 1.213 0 40 DDAB CCCCOCCS(=O)(=O)c1nnc(NCCC)s1 58332150 ZMCRWANWHUTHAM-UHFFFAOYSA-N 307.441 1.950 0 40 DDAB CCS(=O)(=O)CCNC(=O)Cc1ccc2c(c1)CCCC2 58433897 HEFAHMNHTGEAHM-UHFFFAOYSA-N 309.431 1.659 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)CSc1ncnn1C 97114376 DISOAJDZEHJJDU-RYUDHWBXSA-N 312.439 1.619 0 40 DDAB Cc1nc(C(=O)OC[C@H]2CNC(=O)C2)c(-c2ccccc2)o1 97137004 WXNLZEOJWSALMP-LLVKDONJSA-N 300.314 1.943 0 40 DDAB CCOc1ccc(NC(=O)CSc2nncn2NC=O)cc1 27525810 LMLDYHLKSOAGBA-UHFFFAOYSA-N 321.362 1.108 0 40 DDAB Cn1c2ccccc2c2nnc(S[C@@H]3CCOC3=O)nc21 2349673 RLPSHTWDXGOTBD-SNVBAGLBSA-N 300.343 1.924 0 40 DDAB O=C1[C@@H]2[C@H]3C(=O)[C@@]4(Br)[C@H]2[C@@H]2[C@H]4[C@@H]3[C@@]12Br 104107257 BPIHMPOUHNUKRN-JHRNPDIFSA-N 317.964 1.157 0 40 DDAB CC[C@@H]1c2ccsc2CCN1CC(=O)NCCNC(C)=O 11473434 GYWMRVFGADVKSV-CYBMUJFWSA-N 309.435 1.310 0 40 DDAB CCN1CCC2(CC1)C(=O)Nc1ccc(C(=O)NC3CC3)cc12 103475087 NVHUYLPSTQZLSB-UHFFFAOYSA-N 313.401 1.884 0 40 DDAB CC(C)(C)c1nc(CN2CCN(c3ncccn3)CC2)no1 45809870 ASUSZLHDXGBZRB-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB c1cc2nnnn2nc1NCC1(N2CCSCC2)CCCC1 29622805 IVDKCCRBFWHUCL-UHFFFAOYSA-N 319.438 1.293 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)CCO1 50857471 XHMUQWOQCUKXRH-LBPRGKRZSA-N 322.430 1.733 0 40 DDAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)NC(N)=O 2655896 QRHFYHRIKMQHMW-MRVPVSSYSA-N 302.286 1.286 0 40 DDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc2ccccc2c1 12869551 PKWIQKOYQBKURL-LBPRGKRZSA-N 323.352 1.567 0 40 DDAB Cc1csc(=O)n1CCC(=O)NCCN1CCCC[C@H]1C 46860320 WULRHZLYLLUMBZ-GFCCVEGCSA-N 311.451 1.599 0 40 DDAB NC(=O)COc1ccc(C(=O)N2CCc3sccc3C2)cc1 12216308 IQIPRYYWMUMZJV-UHFFFAOYSA-N 316.382 1.811 0 40 DDAB O=C1CC[C@H](COC(=O)c2cc(-c3ccc(F)cc3)on2)N1 84419412 IRLBGABETCEIEU-LLVKDONJSA-N 304.277 1.916 0 40 DDAB Cc1cccc(OCCOC(=O)CN2C(=O)NC(C)(C)C2=O)c1 4360990 NIJGHDGPLQHAAW-UHFFFAOYSA-N 320.345 1.247 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1ccnc(Cl)c1)CC2 72661392 GMUGCWSUJFXFLW-UHFFFAOYSA-N 323.805 1.945 0 40 DDAB C[C@H]1CN(CCNC(=O)c2cc(-c3ccco3)[nH]n2)C[C@@H](C)O1 65405978 IPNMVZJRXXZVIH-TXEJJXNPSA-N 318.377 1.509 0 40 DDAB COc1ccc2nc(NC(=O)N3CC[C@H](C(N)=O)C3)sc2c1 65537409 AYAGIKQETVXWFR-QMMMGPOBSA-N 320.374 1.644 0 40 DDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC2CCN(C)CC2)C1 65522371 WAGRIABPRDPSSL-KBPBESRZSA-N 317.499 1.483 0 40 DDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)NCc2ccccc2)c1 14113090 VARUQRAXJMERHW-UHFFFAOYSA-N 300.314 1.691 0 40 DDAB O=C(NCCCNc1ncccn1)c1c(O)cc(F)cc1F 66046941 YBURWGAQLONQEB-UHFFFAOYSA-N 308.288 1.692 0 40 DDAB COc1ccccc1OCC(=O)NN1Cc2ccccc2C1=N 5505698 RQDVJFUCBQGNFO-UHFFFAOYSA-N 311.341 1.946 0 40 DDAB NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 7252205 URALLZRWEAZKCN-UHFFFAOYSA-N 313.180 1.812 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C 7304270 FAHRBVFTBXJTNQ-ZDUSSCGKSA-N 317.432 1.159 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)CSCc1cccs1 7410572 ULGRUPTYDKOJTP-MRVPVSSYSA-N 316.404 1.369 0 40 DDAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 7614279 DOOLPNXOVAYHSS-UHFFFAOYSA-N 310.309 1.760 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)c1ccccc1Cl 95417188 HDTLAJGVMDXNSV-UONOGXRCSA-N 310.781 1.501 0 40 DDAB O=C1CC[C@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)N1 81287429 WTPBITWEXGUJMA-TZMCWYRMSA-N 304.415 1.906 0 40 DDAB O=C([C@@H]1COc2ccccc2C1)N1CCN(c2ncccn2)CC1 16960869 PHWXGLTUNRNYEP-HNNXBMFYSA-N 324.384 1.377 0 40 DDAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccncc1 69433457 JBPJHKTWSRDTJY-UHFFFAOYSA-N 303.391 1.299 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCCOCc1ccccc1)C2 69458081 COCDXJORBPYDPR-UHFFFAOYSA-N 314.389 1.926 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(S(N)(=O)=O)cc1 17851835 DRHUNQSXVGDWBY-WCQYABFASA-N 308.403 1.868 0 40 DDAB Cc1ccc(C(=O)NCCNc2nnnn2-c2ccccc2)cn1 69738271 WSQIAAVWCSOIHE-UHFFFAOYSA-N 323.360 1.208 0 40 DDAB Cc1cc(C)n([C@H](C)C(=O)NCC[S@@](=O)c2ccccc2)n1 71896456 SVWPPRYDPLOZJD-PEBXRYMYSA-N 319.430 1.985 0 40 DDAB COCCN1CCN(Cc2cnn(-c3ccccc3)n2)CC1 69818217 DMHDOVQJCZUIJN-UHFFFAOYSA-N 301.394 1.031 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N(C)CC1CCN(CCO)CC1 69949020 LWUBVCNHRDXEFD-GFCCVEGCSA-N 308.426 1.644 0 40 DDAB NC(=O)c1cccc(CN[C@H]2CCCN(c3cccnn3)C2)c1 71859699 KORLETLSGYINFF-HNNXBMFYSA-N 311.389 1.334 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 95993778 WNGMPUWYWOYMAP-SNVBAGLBSA-N 309.391 1.570 0 40 DDAB COc1ccccc1C(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 9647825 BKCKVSRWBUKLHV-GFCCVEGCSA-N 304.346 1.844 0 40 DDAB Cc1cc(CN2CCO[C@H](CN(C)c3cccnn3)C2)no1 84117091 XNGYWLBRXDYQDF-CQSZACIVSA-N 303.366 1.110 0 40 DDAB COc1ccc(C[C@H](C)C(=O)/N=c2/[nH]cc(C)[nH]2)cc1OC 97080784 XUVDSGJEWJOTJO-JTQLQIEISA-N 303.362 1.975 0 40 DDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1COCCN1 88370310 BDVBIHIDQRUMKY-LBPRGKRZSA-N 313.195 1.396 0 40 DDAB CC(=O)N1CCN(c2cc(CNC(=O)C(C)C)ccn2)CC1 95953262 CQHWSSFLACVCNK-UHFFFAOYSA-N 304.394 1.022 0 40 DDAB C[C@@H](CNC(=O)NCCc1nnc2n1CCC2)c1cccs1 86402035 GXXFQSMXTBVMBV-NSHDSACASA-N 319.434 1.931 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(CCc3cnn(C)c3)CCO2)n1 76049596 GAVQCZABNSULRY-ZDUSSCGKSA-N 304.398 1.107 0 40 DDAB CCOC(=O)CCC(CCC(=O)OCC)(C(C)=O)C(C)=O 22077266 DJYVNUHCBBMYQB-UHFFFAOYSA-N 300.351 1.837 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(N2CCCCC2)CC1 26439417 LVBODLDSPCTJAB-WBVHZDCISA-N 323.481 1.620 0 40 DDAB O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1Cl 60190781 MEUJYCDUNRJSPF-IWDIQUIJSA-N 319.700 1.481 0 40 DDAB COCC[C@H](C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O 60345307 BFEMHQDWNQTHQF-LBPRGKRZSA-N 315.373 1.696 0 40 DDAB CN1CCC[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 63527677 LAZJAYBFUMMEIS-ZDUSSCGKSA-N 300.449 1.855 0 40 DDAB O=C(C1=CCCC1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 306123223 AHPDNSNYIQSDAY-CQSZACIVSA-N 315.373 1.726 0 40 DDAB O=C(CCc1ncccn1)N1CCCC[C@@H]1CN1CCOCC1 514641606 YMSPWFJXKQMPCA-OAHLLOKOSA-N 318.421 1.123 0 40 DDAB COc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 33313509 PDLZFUDEDHMTGU-LALPHHSUSA-N 318.373 1.436 0 40 DDAB CC(C)c1nccn1CC(=O)N1CCN(c2cnccn2)CC1 182844719 FUCMTGFRRFQUSK-UHFFFAOYSA-N 314.393 1.145 0 40 DDAB Cc1cc(CNC(=O)[C@@H](C)Oc2ccccc2)nc(N(C)C)n1 189935947 SWUCPCUSPCWHJJ-CYBMUJFWSA-N 314.389 1.935 0 40 DDAB COc1cc(N2CCN(Cc3c(C)noc3C)CC2)ncn1 133122902 FGJYHDVRDUIPGI-UHFFFAOYSA-N 303.366 1.412 0 40 DDAB C[C@H](c1cnn(C)c1)N(C)C(=O)C(=O)Nc1c(F)cccc1F 129844804 PLWGBBUYIOSAAG-SECBINFHSA-N 322.315 1.856 0 40 DDAB CN1CCC(CNC[C@@]2(O)CCCNC2)(c2ccccc2)CC1 72430400 XEYQCMUZUMKXFV-LJQANCHMSA-N 317.477 1.354 0 40 DDAB O=C(O)[C@H]1C[C@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058308 UDJQTENOUCHAHR-XOJFTNBJSA-N 307.390 1.639 0 40 DDAB C[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1cnn(C)c1 131246963 DJNZOPBVIQLDGS-GFCCVEGCSA-N 315.377 1.143 0 40 DDAB CC(C)N(C)S(=O)(=O)N1CCO[C@H](c2ccc(F)cc2)C1 40539428 BXZCURKGLREYAO-AWEZNQCLSA-N 316.398 1.784 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)nn1 225429063 YMNAHVPMARSCAX-GFCCVEGCSA-N 301.350 1.418 0 40 DDAB O=C(NC[C@H]1CN(C2CC2)CCO1)N1CCc2ccccc21 193460340 JKXWYZMXDVYLAQ-HNNXBMFYSA-N 301.390 1.622 0 40 DDAB Cc1ccc(CN(CC(=O)NCC(C)C)S(C)(=O)=O)cc1 224069157 WJYXZXKEDZMGFX-UHFFFAOYSA-N 312.435 1.529 0 40 DDAB C[C@H](C(=O)NC(N)=O)N1CCC(CCc2ccc(O)cc2)CC1 44906963 KDRHOQOHIKWSMB-GFCCVEGCSA-N 319.405 1.620 0 40 DDAB CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223249465 IXFQXCSUJMLIAG-LLVKDONJSA-N 314.407 1.376 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1 77123210 AHRUSPJJNGODIW-UHFFFAOYSA-N 308.359 1.707 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 195576931 OAGIPANDPOOSSY-OWCLPIDISA-N 310.486 1.985 0 40 DDAB CN(C)C(=O)CN1CCC2(CC1)CN(c1cccc(F)c1)C2=O 96202941 IDFDKOCVQQVLJG-UHFFFAOYSA-N 319.380 1.343 0 40 DDAB c1coc(CN2CCOC[C@]3(C[C@H](CN4CCCC4)CO3)C2)c1 96052009 BLHKWOAXPKTBKR-AEFFLSMTSA-N 320.433 1.983 0 40 DDAB CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCC[C@H]1S(C)(=O)=O 96461176 AMPLOGWNWONQNN-VXGBXAGGSA-N 316.810 1.773 0 40 DDAB Cn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cn1 97235899 UZSSWGBSLICDNB-UHFFFAOYSA-N 306.269 1.635 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)Nc3ccon3)OCC(=O)N2C)cc1 96181550 QGJJLNUFCPGEHR-LSDHHAIUSA-N 315.329 1.520 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96066269 PLICQZUYANGQLV-ZNMIVQPWSA-N 308.378 1.022 0 40 DDAB Cc1cc(C(=O)N2CCc3cc(C(=O)O)c(C)nc3CC2)no1 96189563 DANYOSZHRAINNB-UHFFFAOYSA-N 315.329 1.626 0 40 DDAB COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1 96181511 BXJLHFIVPMLSSO-CVEARBPZSA-N 320.389 1.046 0 40 DDAB COC[C@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 96440057 BYYUQHHXIGQVMG-OAHLLOKOSA-N 310.369 1.815 0 40 DDAB CCc1ccccc1CNC(=O)NCC(C)(C)S(C)(=O)=O 96452368 UASGTVVEFDTHPL-UHFFFAOYSA-N 312.435 1.871 0 40 DDAB CC(C)CNC(=O)[C@H]1C[C@@H]2CN(Cc3cccnc3)C[C@H]1O2 96252925 VNGYAYNIHZUIFR-OWCLPIDISA-N 303.406 1.443 0 40 DDAB CS(=O)(=O)N1CCO[C@@H](c2ccccc2Br)C1 96402774 WKJLYDAWDVAHQN-LLVKDONJSA-N 320.208 1.782 0 40 DDAB O=C(O)c1nn(-c2ccc(Cl)nn2)nc1Br 96007065 UJGJBBXRTMFEFK-UHFFFAOYSA-N 304.491 1.171 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@]2(CCCN(c3nncs3)C2)CO1 96224849 KRDPLCCIFDOWJT-IUODEOHRSA-N 322.434 1.440 0 40 DDAB Cc1cccn(CC(=O)NCCc2c(F)cccc2F)c1=O 96428885 VJGYKQXKHJFLLI-UHFFFAOYSA-N 306.312 1.794 0 40 DDAB CCCc1cc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)n(C)n1 97236225 UBDLDGIGYTXAKN-NSHDSACASA-N 319.409 1.505 0 40 DDAB O=C(c1cocn1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108168 CQLYTXSZBOPHQA-SWLSCSKDSA-N 317.345 1.241 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(CC2CCOCC2)C3)n1 96038747 NBSILEOEGYLTJM-GDBMZVCRSA-N 307.394 1.537 0 40 DDAB CN(C)C(=O)N[C@@H]1COC2(CCN(Cc3ccco3)CC2)C1 96047965 QTLVLVUSNSMNGN-ZDUSSCGKSA-N 307.394 1.674 0 40 DDAB O=C1CCCC[C@H]2[C@@H](C[C@@H](Cc3ccccc3)N2CCO)N1 257342035 ZMUWEEPXAMGIOS-ZACQAIPSSA-N 302.418 1.723 0 40 DDAB O=C(CCCn1ccnc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257305927 SSCWJUHFFFKJAD-HZPDHXFCSA-N 315.373 1.314 0 40 DDAB c1cn2c(n1)CN(C[C@H]1CCOC1)C[C@H](CN1CCCC1)C2 253603906 PCQNUJGXYAWLLT-CVEARBPZSA-N 304.438 1.447 0 40 DDAB C[C@H]1CCCN(Cc2nnc(CN3CCC[C@H](C)C3)n2N)C1 260571851 DXUSSIXOLGBBSZ-KBPBESRZSA-N 306.458 1.456 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@H](C(=O)O)C(C)C)ccc1F 274952550 GNGJAJFFVJNJGQ-NSHDSACASA-N 303.355 1.769 0 40 DDAB CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585282832 IHSZDPQZPMWFMY-MRXNPFEDSA-N 324.352 1.088 0 40 DDAB CS(=O)(=O)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1 585095056 BWEBOTVMJIEOQE-CQSZACIVSA-N 312.435 1.696 0 40 DDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1cc3ccccc3o1)C2 585094800 NJLPSBWVJUGXRK-LBPRGKRZSA-N 311.341 1.726 0 40 DDAB O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccncc1F 585150032 UAXMQZYMJGXOFG-UHFFFAOYSA-N 316.336 1.086 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(CCc3ccncc3)CCO2)n1 69368323 XTXCYESXYCMPBO-KRWDZBQOSA-N 300.406 1.838 0 40 DDAB O=C(NCc1nnc2n1CCC2)Nc1cnn(-c2ccccc2)c1 72294526 XXSUHQCQXSWJRX-UHFFFAOYSA-N 323.360 1.732 0 40 DDAB COCCn1c(C(=O)N[C@@H](C(N)=O)C(C)C)cc2ccccc21 72302877 VZKYIKASLRZBFN-OAHLLOKOSA-N 317.389 1.527 0 40 DDAB COc1ccc(C(=O)NCCC(=O)N2CCC[C@H](C)C2)c(O)c1 58228549 NLCMIDDGOWXMJZ-LBPRGKRZSA-N 320.389 1.779 0 40 DDAB CC(C)(NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(N)=O 57050945 IPLLUFLDCCUZAW-VIFPVBQESA-N 323.780 1.073 0 40 DDAB CN1C[C@H](NC(=O)N[C@H]2CCc3ccc(F)cc32)CCC1=O 96415486 QHJJKCHFMZXQDZ-OCCSQVGLSA-N 305.353 1.733 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(OC)c1 5016140 UIDSGIUXAIIWIH-ZDUSSCGKSA-N 315.333 1.534 0 40 DDAB COc1cc(OC)cc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)c1 5043912 USDLDSHYYVLMOT-OAHLLOKOSA-N 318.373 1.822 0 40 DDAB COc1ccc(N2C(=O)C[C@@H](N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 13450784 PDLZFUDEDHMTGU-SLEUVZQESA-N 318.373 1.436 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cc(C)on1 14031803 DEQZOEJLKLFXJU-SECBINFHSA-N 306.347 1.524 0 40 DDAB COC(=O)c1ccc(NC(=O)c2cc(O)c(OC)cn2)cc1 16848078 SFLLRGNBYUIQGE-UHFFFAOYSA-N 302.286 1.835 0 40 DDAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@H](CO)Cc1ccc(O)cc1 157108538 ZPJVDEPDERDOLN-FQLMCAECSA-N 320.433 1.673 0 40 DDAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 4985808 GBSFMYIQWBJQOE-OAHLLOKOSA-N 319.384 1.708 0 40 DDAB CCOC(=O)C/C(=C/O[C@H](C)C(=O)OCC)C(=O)OCC 2582874 VVPIGYHYRZAICA-QLWWJYNRSA-N 302.323 1.355 0 40 DDAB CCCS(=O)(=O)N[C@H](C(=O)N1CCCC1)c1ccccc1 36109623 XYCRMAVTBLHZAV-AWEZNQCLSA-N 310.419 1.680 0 40 DDAB NC(=O)c1cc(OC2CN(C(=O)CCC(F)(F)F)C2)ccn1 1889111412 RKLPSURFNFTBDN-UHFFFAOYSA-N 317.267 1.113 0 40 DDAB Cc1ccc(N2CCN(c3ncnc4cnccc34)CC2)nn1 1889139112 UZRNXRKWEBGBAV-UHFFFAOYSA-N 307.361 1.450 0 40 DDAB Cn1nccc1-c1ccc(CCNC(=O)N2CCNC2=O)cc1 1889151733 MFDSHNRAHKQYFD-UHFFFAOYSA-N 313.361 1.364 0 40 DDAB Cc1nn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)c2ccccc12 21301960 OKKLZDYHJJCCGE-VXGBXAGGSA-N 315.373 1.341 0 40 DDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CC1 6112244 AJJMEXITGUHCGC-UHFFFAOYSA-N 322.162 1.438 0 40 DDAB O=c1c(=O)n(-c2ccc3c(c2)OCO3)ccn1CC1CCCC1 2087045475 FLTBSBNNYGOZBX-UHFFFAOYSA-N 314.341 1.918 0 40 DDAB Cc1ncnc2c1CCN(C(=O)Cc1ccc(F)cn1)CC2 1565546933 HEUBFYMVMSEOTI-UHFFFAOYSA-N 300.337 1.489 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1OC 61847 KIJBNHBVEMECAI-CYBMUJFWSA-N 306.318 1.505 0 40 DDAB CCCN[C@@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)O 5258332 JVRBXTLKIYKQTM-LBPRGKRZSA-N 310.350 1.485 0 40 DDAB CC(=O)Nc1ccc(O)cc1SC[C@@H](NC(C)=O)C(=O)O 1776010186 DWMCIRCEXKLKHA-LLVKDONJSA-N 312.347 1.032 0 40 DDAB O=C(COc1ccc2ccccc2c1)NC[C@]1(O)CCOC1 178899553 PPIQCVNRULCLBE-QGZVFWFLSA-N 301.342 1.486 0 40 DDAB CC(C)(C)c1nccc(N2CC(C(=O)N3CCOCC3)C2)n1 2298184001 LMUYZRISZIEVIJ-UHFFFAOYSA-N 304.394 1.069 0 40 DDAB COCc1nsc(N2CCC[C@@H](COc3cnccn3)C2)n1 2298188671 JMSAUYYBXFQJHS-LLVKDONJSA-N 321.406 1.770 0 40 DDAB COCc1nsc(N2CCC(NC(=O)C3CCC3)CC2)n1 364335325 FRYHDDVIXLLVQL-UHFFFAOYSA-N 310.423 1.570 0 40 DDAB C[n+]1c(-c2ccc(NS(C)(=O)=O)cc2)cn2ccccc21 387330 JNKADKKMHFBFCD-UHFFFAOYSA-N 302.379 1.802 0 40 DDAB O=C(OCc1nnnn1C1CC1)c1cc(=O)[nH]c2ccccc12 30014427 BWIPPBHIDLDMQO-UHFFFAOYSA-N 311.301 1.207 0 40 DDAB CC(=O)NCCCNC(=O)c1ccn(-c2ccc(F)cc2)n1 30899132 HGQLSICPKDKMKB-UHFFFAOYSA-N 304.325 1.267 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 40490256 KIVAJQYWVSBVPS-GFCCVEGCSA-N 300.424 1.273 0 40 DDAB Cc1ccc(-c2nnc(CN3C(=O)NC(C)(C)C3=O)o2)cc1 31607422 LDAOALCJRFJVRR-UHFFFAOYSA-N 300.318 1.875 0 40 DDAB O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1-c1ccccc1 138148 IKMJVTGZTKXRPT-XFXZXTDPSA-N 323.333 1.319 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc2nsnc2c1 31817282 BAAXXTGSXKCMID-UHFFFAOYSA-N 301.287 1.432 0 40 DDAB COc1ccc(-c2[nH]cc3c2c(=O)n(C)c(=O)n3C)cc1OC 20714812 GBOUJTGWVMDQFU-UHFFFAOYSA-N 315.329 1.250 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)C1CCCC1 53458999 SPLQWZZWXJRFNJ-INIZCTEOSA-N 318.373 1.726 0 40 DDAB O=C(Cn1cnnn1)N(Cc1c(F)cccc1Cl)C1CC1 41907036 LWTICHPTOCQFST-UHFFFAOYSA-N 309.732 1.657 0 40 DDAB O=S1(=O)CCC(Nc2ncccc2Br)CC1 42375987 MEZDSLLLNGCCLS-UHFFFAOYSA-N 305.197 1.833 0 40 DDAB CC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2N 19331553 XYJWJNNALHKUPZ-UHFFFAOYSA-N 301.390 1.399 0 40 DDAB biogenic Cc1cccc(O[C@H](C)C(=O)NCCC(=O)N2CCCC2)c1 47532471 KVJVMUQHUQJZRU-CQSZACIVSA-N 304.390 1.891 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)NC[C@@H]1CCCO1 47594352 FGUGVBDXPUNJKA-AWEZNQCLSA-N 304.394 1.660 0 40 DDAB O=C(CSc1nnc(-c2ccncc2)o1)N1CCOCC1 872553 MGSBXKONSMUVDD-UHFFFAOYSA-N 306.347 1.083 0 40 DDAB COc1ccccc1-c1nnc(SCC(=O)N(C)C)n1C 904605 UOBXAKXKHGZPAN-UHFFFAOYSA-N 306.391 1.671 0 40 DDAB CCCN1CCC(CNC(=O)c2ccc(N(C)C)nc2)CC1 78720201 GWLTWUGDPCBBBZ-UHFFFAOYSA-N 304.438 1.999 0 40 DDAB O=C(NCc1ccco1)Nc1cccnc1N1CCOCC1 54481683 YMWFSGIMNCTPCU-UHFFFAOYSA-N 302.334 1.833 0 40 DDAB COCCCn1c(SC)nc2cc(C(=O)OC)ccc2c1=O 23564263 RSWDKEKLDHIUBF-UHFFFAOYSA-N 322.386 1.942 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3371484 FOGZMNGUWBOACP-UHFFFAOYSA-N 319.144 1.996 0 40 DDAB O=C(COn1nnc2ccc(Cl)cc21)NC1CCCCC1 3524396 IDLQWTCUGNAGKF-UHFFFAOYSA-N 308.769 1.962 0 40 DDAB CC(=O)N1CCc2cc(NC(=O)CN3CCO[C@@H](C)C3)ccc21 24097358 KFBGPHMKBBCJFM-LBPRGKRZSA-N 317.389 1.255 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccccc1 24209810 FKDFDHLNLGEJPV-GFCCVEGCSA-N 304.346 1.291 0 40 DDAB CCC[C@H](CNC(=O)C1=COCCC1)NC(=O)C1=COCCC1 95393255 YOOASYIOLBOTGR-OAHLLOKOSA-N 322.405 1.776 0 40 DDAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1cnn(C)c1 24473867 CHBUWXJOOYVHKX-GFCCVEGCSA-N 315.377 1.589 0 40 DDAB COc1ccccc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6700229 SLNSYUDSUIAHEX-VRKREXBASA-N 315.369 1.877 0 40 DDAB CC(C)[C@H](C(=O)NCCc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 106153747 IBGHTTJARCMCDO-BFYDXBDKSA-N 319.449 1.874 0 40 DDAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)COC[C@@H]1CCCO1 95396697 TVXPNBOZZWBLOS-KBPBESRZSA-N 309.410 1.610 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)CCSc1nnnn1C 56130264 SDQWETUTKJYABA-NSHDSACASA-N 305.407 1.878 0 40 DDAB COc1ccnc(N2CCC[C@H]2C(=O)NCC(F)(F)F)n1 25570755 GUBKOJNGQUCSCL-QMMMGPOBSA-N 304.272 1.133 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 26013638 ASUMUAGDLMQEAI-WFASDCNBSA-N 319.405 1.203 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)C(C)C)c1C 9417864 LXSIUTNGFLLDLH-UHFFFAOYSA-N 324.377 1.832 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1Cl 102353020 CEHHARBVLAPYBK-RVMXOQNASA-N 323.732 1.941 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 44870610 LYSOZKZUHVEFRB-UHFFFAOYSA-N 314.407 1.140 0 40 DDAB Cn1c(CN2CCC[C@H]2Cc2ccccc2)cc(=O)n(C)c1=O 44896519 GXJSTGIJXJJSCB-HNNXBMFYSA-N 313.401 1.291 0 40 DDAB Cc1cccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)c1 58225108 JCYSOASTWITCND-CQSZACIVSA-N 311.345 1.483 0 40 DDAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)NCc1ccco1 58293298 VWVYKPRQRHWZNR-IAQYHMDHSA-N 314.341 1.404 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)[nH]c(S)nc2c1 44917278 JOSSABSIHDAZNC-VIFPVBQESA-N 305.359 1.121 0 40 DDAB C[C@@H](NC(=O)CN1CCSC1=O)c1nc2ccccc2[nH]1 48252987 GSTWFJKQQIRCGV-SECBINFHSA-N 304.375 1.909 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)[C@@H]1CCCO1 27866884 FAPKKUSVCSPLLF-YPMHNXCESA-N 320.414 1.809 0 40 DDAB Cc1c(C(=O)NCc2ccoc2)cnn1[C@@H]1CCS(=O)(=O)C1 58333238 AHBKONOTSRCTHO-GFCCVEGCSA-N 323.374 1.074 0 40 DDAB COc1ccc(COC[C@H](O)CNC(=O)c2cccnc2)cc1 58325627 HRQBVUPZVQTRTB-OAHLLOKOSA-N 316.357 1.398 0 40 DDAB O=C(NCCN1CCOCC1)N[C@H]1CCOc2ccccc21 45546267 XXAPZBTXQSELNM-AWEZNQCLSA-N 305.378 1.142 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 28833345 HVUZCEJKFYJMSU-HOCLYGCPSA-N 315.417 1.103 0 40 DDAB c1coc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 107746701 SVRFHZLKGGAPMV-DZGCQCFKSA-N 300.362 1.407 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)NCC(F)(F)F 3359944 FUWWBGJAKUAJSD-UHFFFAOYSA-N 305.252 1.955 0 40 DDAB COC(=O)/C=C1\N=C(Nc2nc3ccccc3s2)NC1=O 100282186 JGCRDTGSFLUNIV-VURMDHGXSA-N 302.315 1.251 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 36838020 RXVVTWMMNDGRIJ-CYBMUJFWSA-N 318.373 1.103 0 40 DDAB Cc1cccc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 59810821 XRXALIGITWIHFG-INIZCTEOSA-N 313.401 1.730 0 40 DDAB CCn1cnnc1CNC(=O)C[C@@H](NC(C)=O)c1cccs1 47020542 PPAZMGXLKWBAEO-LLVKDONJSA-N 321.406 1.243 0 40 DDAB CCc1cccc(C)c1NC(=O)COC(=O)C1=COCCO1 3590948 WMYHBBHILOSJNJ-UHFFFAOYSA-N 305.330 1.927 0 40 DDAB Cc1cnc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cn1 3517430 FMGBNIRIOXJQEM-UHFFFAOYSA-N 320.349 1.100 0 40 DDAB C[C@]1([C@H]2CCCN(Cc3ccc(F)cc3)C2)NC(=O)NC1=O 72300693 NXAQRBUPIIFNKM-BLLLJJGKSA-N 305.353 1.636 0 40 DDAB CCOC(=O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 13843855 DGPRJJLHBMETII-XFFZJAGNSA-N 307.327 1.952 0 40 DDAB Cc1nc2n(c1C)CCN([C@@H](C)C(=O)Nc1nccs1)C2 65478865 RLPXPUXGBUYIHW-NSHDSACASA-N 305.407 1.799 0 40 DDAB CCOc1ncccc1C(=O)N[C@H]1CCc2nnc(C)n2C1 65593489 WZDHWLKMASRAPC-NSHDSACASA-N 301.350 1.125 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 65517335 QMHINHICKOOBGR-MRXNPFEDSA-N 320.437 1.502 0 40 DDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 14136477 APYATNMBCBMLLN-INIZCTEOSA-N 319.361 1.496 0 40 DDAB CN1CCO[C@H](CNC(=O)CCCOCCc2ccccc2)C1 65609052 FXYUSNHJJKXRET-QGZVFWFLSA-N 320.433 1.473 0 40 DDAB Cc1ccc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 6546582 YCTOAQRJADICLR-CYBMUJFWSA-N 313.444 1.532 0 40 DDAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(C)=O 20151218 WYWJHERLDDTKKF-UHFFFAOYSA-N 302.739 1.880 0 40 DDAB C[C@H](NC(=O)CSc1ncc(CO)n1C)c1ccccc1 90243338 JBEBCTHAYMNQAD-NSHDSACASA-N 305.403 1.882 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccn1 16086222 NPIFOKKSHYLSLZ-NSHDSACASA-N 320.370 1.892 0 40 DDAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8265170 UOQVAZBAHSFCQR-AWEZNQCLSA-N 304.390 1.809 0 40 DDAB COC[C@H](C)NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 69378308 QCOMEHNIZIOKEP-QMMMGPOBSA-N 320.798 1.476 0 40 DDAB COC(=O)N[C@H](C(=O)NCCOc1ccc(OC)cc1)C(C)C 71888036 SXVOLLHNRWCZFN-AWEZNQCLSA-N 324.377 1.571 0 40 DDAB Cc1nn(C)c(Cl)c1CNCC1CCN(CCO)CC1 69414621 GPSMRQIDNXVCMX-UHFFFAOYSA-N 300.834 1.176 0 40 DDAB c1coc(-c2nnc(CN3CCC[C@H](Cn4cncn4)C3)o2)c1 69625134 GMAXQYYPPVSUHY-LBPRGKRZSA-N 314.349 1.833 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H]1Oc3ccccc3O[C@@H]1C)C2 69631040 CEEKTVPRYLLASB-BMIGLBTASA-N 314.345 1.157 0 40 DDAB COC(=O)CN(C)C(=O)CCN1CCc2sccc2[C@@H]1C 69770463 GTVCRVWVKHRDCU-NSHDSACASA-N 310.419 1.689 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 85262833 WJZMVQMIIFNYSA-UHFFFAOYSA-N 321.450 1.368 0 40 DDAB Cc1nc(C2(NC(=O)Cn3nnnc3C)CCCCCC2)no1 95965705 LOKMCHIFSYHCAQ-UHFFFAOYSA-N 319.369 1.039 0 40 DDAB CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CNC(=O)N1 89363639 YTRKEEBVXMTKBQ-INIZCTEOSA-N 309.369 1.993 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(C[C@@H]2CCOC2)C1 89364893 HIGLZXFKJNPDRK-JSGCOSHPSA-N 306.410 1.490 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cn1 75130742 SXIAAWLRRVPGNY-GJZGRUSLSA-N 302.422 1.846 0 40 DDAB O=C(NCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)C1CCCC1 76086766 LSNBJQSXNMOQAR-HUUCEWRRSA-N 305.422 1.900 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 69785 PHFJZKMLXDFUNB-UHFFFAOYSA-N 306.347 1.544 0 40 DDAB biogenic,in-vitro O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(O)c1 409204631 BYDNNKTUCXZCKY-NBLIUIFLSA-N 314.341 1.362 0 40 DDAB COc1ccc(C(=O)N2C(=N)O[C@H]3CSC[C@@H]32)cc1OC 72342804 BSVGJAQUKGECLJ-CABZTGNLSA-N 308.359 1.595 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1 78529418 LOSCTNFPQAFUHJ-UHFFFAOYSA-N 315.366 1.708 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 34776337 PCAOCANCVQEDSG-SECBINFHSA-N 317.338 1.320 0 40 DDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 72239391 HTXGFTXJQBUSBZ-SWLSCSKDSA-N 321.446 1.432 0 40 DDAB Cc1cccnc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C 79358123 LVRJMRYKNJMQHY-OLZOCXBDSA-N 310.419 1.638 0 40 DDAB NC(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 72388689 UNSHNHODMLDRLO-CYBMUJFWSA-N 316.336 1.554 0 40 DDAB CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CCCC1 38754428 NUXWAMZIFMOEEA-UHFFFAOYSA-N 322.386 1.232 0 40 DDAB Cc1nc(Nc2cnccn2)cc([C@H]2CCN(CCO)C2)n1 72382631 HKHGICYOHFPYLY-LBPRGKRZSA-N 300.366 1.100 0 40 DDAB CC[C@](C)(CO)NC(=O)c1cc(-c2ccccc2OC)n[nH]1 183362256 YMQOWWHEVBUCTN-MRXNPFEDSA-N 303.362 1.976 0 40 DDAB Cn1cnc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc21 75327979 DUESSRULFNJUKR-UHFFFAOYSA-N 324.344 1.122 0 40 DDAB CC(C)OCCC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 79002128 UCEVCGNGGUUPDA-JTQLQIEISA-N 310.316 1.423 0 40 DDAB Cc1cccc(N2CCN(C[C@]3(O)CCCN(C)C3)CC2)c1 41124052 FFQROCJKVDPWSO-SFHVURJKSA-N 303.450 1.574 0 40 DDAB CCCn1ncnc1CN1CC2(CCOCC2)CC[C@H]1CO 528646490 VAGSHWXYTNBZEK-AWEZNQCLSA-N 308.426 1.442 0 40 DDAB CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CCCSC1 575054331 MCKZHXDEQJEYDN-QWRGUYRKSA-N 303.449 1.637 0 40 DDAB NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958128 REASECSFPLACTP-JTQLQIEISA-N 323.780 1.015 0 40 DDAB COC[C@@H]1CCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 87386015 KQAZNKAFKKUBRA-CABCVRRESA-N 310.438 1.909 0 40 DDAB CC(C)N1C(=O)C[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1=O 81806048 PZNVNCFGGBFSGR-CYBMUJFWSA-N 318.348 1.509 0 40 DDAB Cc1ccccc1-n1cnnc1CN1CCC[C@H](C(=O)O)C1 85346265 TXEYNWBFNZMHFA-ZDUSSCGKSA-N 300.362 1.872 0 40 DDAB C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1cc(F)c(F)c(F)c1 195574578 DUXDWJLBHCLDJB-PELKAZGASA-N 323.336 1.743 0 40 DDAB CCCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 193397497 CVSPVFGJDCXMGG-UHFFFAOYSA-N 302.371 1.508 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCCO1 96057299 UDVALSCZZHUGFS-OAGGEKHMSA-N 308.422 1.535 0 40 DDAB CC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1C 97104131 VJEJFNAYHZOEDX-CYBMUJFWSA-N 313.361 1.926 0 40 DDAB O=S1(=O)CCN(Cc2nc(C(F)F)no2)[C@@H](C2CC2)C1 333741833 MKSCBKBKXATQKS-MRVPVSSYSA-N 307.322 1.016 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1C(C)C 96182625 CDMDXGCEVFAPFC-KFWWJZLASA-N 307.463 1.777 0 40 DDAB CS(=O)(=O)c1nccn1C[C@@H](O)c1cccc(Cl)c1 95438715 SZCSZRVGEOFEOH-LLVKDONJSA-N 300.767 1.674 0 40 DDAB Cc1cc(C(=O)NC[C@@H](O)C2CCCC2)ccc1-n1cncn1 96436642 OYSYMUIDOLEGKP-MRXNPFEDSA-N 314.389 1.857 0 40 DDAB COC(=O)c1cc(OC)c(OCCCN2CCCC2)cc1N 97756581 ACLXRQKFXZPXJB-UHFFFAOYSA-N 308.378 1.929 0 40 DDAB c1cnc(N2CCCn3nnc(COCC4CC4)c3C2)cn1 96084377 WQTDGEDHPNHCDF-UHFFFAOYSA-N 300.366 1.405 0 40 DDAB CN(Nc1ccc(Cl)nn1)C1=NS(=O)(=O)c2ccccc21 95481850 XCCFBWLNMFBNJS-UHFFFAOYSA-N 323.765 1.538 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(Cc3nccs3)C2)C1 96051929 IVOINTDQENNFQE-ZFWWWQNUSA-N 311.451 1.312 0 40 DDAB COc1cccc(N2CCC[C@@H](NC(=O)c3cc[nH]n3)C2)c1 96409255 BHSURFYHKFGRGH-GFCCVEGCSA-N 300.362 1.817 0 40 DDAB CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NC1CC1 96112991 OACJAGSZEUIMPC-LSDHHAIUSA-N 307.438 1.424 0 40 DDAB biogenic,in-vitro Cc1ncsc1CNC(=O)N1CCN(Cc2ccon2)CC1 96439849 TWLWKIKSIPOLBD-UHFFFAOYSA-N 321.406 1.467 0 40 DDAB CCN1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96100394 PSEPQIBHIZPLOK-QWHCGFSZSA-N 322.434 1.015 0 40 DDAB COCCc1nnc(SCc2cccc(F)c2F)n1N 96430406 ABPJNRQKFNJXON-UHFFFAOYSA-N 300.334 1.751 0 40 DDAB COCCO[C@@H]1CCN(c2ncccn2)[C@H]1Cc1cnn(C)c1 96200220 MNUDTELYZMELKQ-LSDHHAIUSA-N 317.393 1.063 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(Cc4ccncc4)C[C@H]32)nn1 96054406 QJXTXAGXRRNOFN-CVEARBPZSA-N 311.389 1.270 0 40 DDAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCC(=O)N(C)C1 96454368 QJRFLPUFBHTPGM-ZFWWWQNUSA-N 304.390 1.889 0 40 DDAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cnn(C)c3)O2)n1 96057353 APLWSNISFPRNRN-MCIONIFRSA-N 303.366 1.606 0 40 DDAB Cc1ccc(S(=O)(=O)NCCc2cc(C)n(C)n2)cc1C 240122661 WFSXSOAFPHPMOX-UHFFFAOYSA-N 307.419 1.866 0 40 DDAB C[C@@H]1c2nc(CC(=O)NCCc3cccs3)cn2CCN1C 248132780 NSJLBGPZIWTVKZ-GFCCVEGCSA-N 318.446 1.852 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCO[C@H](c2ccncc2)C1 257276104 NSJYJHFHQZEJSY-HNNXBMFYSA-N 317.389 1.384 0 40 DDAB COc1cccc([C@H](C)N[C@@H](C)C(=O)N2CC[C@](C)(O)C2)c1 252587249 WQNNRNNXKULZCS-DCGLDWPTSA-N 306.406 1.718 0 40 DDAB CC(C)C[C@H]1OCCC[C@@H]1NCCC(=O)N1CCN(C)CC1 252479440 BFBZTVBNWZKFSU-JKSUJKDBSA-N 311.470 1.334 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2ccc(F)cn2)n1 257274443 NLBXATUXALNCAQ-AWEZNQCLSA-N 304.325 1.598 0 40 DDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CCC1 257255728 KIQNGLDCFVWIAN-QGZVFWFLSA-N 316.405 1.573 0 40 DDAB Cn1cc(C(=O)N2C[C@H]3CC[C@H](Cc4cncnc4)[C@H]3C2)cn1 257274072 NJKHLQYPRNNAAH-IIAWOOMASA-N 311.389 1.551 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)Cn2ccnc2)n1 257326000 WVJABJKSFSMAFC-HNNXBMFYSA-N 314.393 1.098 0 40 DDAB Cc1cnc(C(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)cn1 257313062 UQVWIPMEMVWFER-UHFFFAOYSA-N 324.388 1.682 0 40 DDAB CC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 604383344 XSTJJDIJIGJEOD-XYJFISCASA-N 316.401 1.626 0 40 DDAB biogenic,in-vitro Cc1c[nH]c([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1 257268620 MMLZVERVTBQHQE-AWEZNQCLSA-N 318.421 1.827 0 40 DDAB O=C(Cn1ncccc1=O)NCc1ccc(-c2ccoc2)nc1 390830694 MROFKEYONBDRPN-UHFFFAOYSA-N 310.313 1.215 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CC(n3nc(C)cc3C)C2)on1 69653158 MFTZPURCXHGPRH-LBPRGKRZSA-N 303.366 1.680 0 40 DDAB O=C(NCc1ccc(-n2cccn2)nc1)c1cn2cccnc2n1 51200046 CYAZOPJTKSLKIB-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB NC(=O)CN1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775995527 CPJAWDQICVPTPY-SNVBAGLBSA-N 317.311 1.677 0 40 DDAB CN(Cc1nccn1C)C(=O)CCCNC(=O)OC(C)(C)C 61513170 MFHAGBUNFBCKMX-UHFFFAOYSA-N 310.398 1.683 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@H]2CCCCN2CC(C)C)CC1 56970019 ODXTWNDIEZBNPD-MRXNPFEDSA-N 309.454 1.578 0 40 DDAB CCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 57183913 BLHGTQNQUFJDEV-ZDUSSCGKSA-N 303.387 1.819 0 40 DDAB Cc1cc(C[C@H](C)NC(=O)Nc2c(C)ccn(C)c2=O)n[nH]1 162100674 KYKXWDXCOXRFMA-JTQLQIEISA-N 303.366 1.478 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 34465560 XCNSISBVCBBKDX-CQSZACIVSA-N 311.293 1.910 0 40 DDAB Cn1ccnc1SCC(=O)NCc1ccc(C(=O)O)cc1 5642218 VTXNCFRZBDLSPM-UHFFFAOYSA-N 305.359 1.527 0 40 DDAB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1NC(=O)c1ccccc1 8334406 FBJUODGUNNJUFV-NTEUORMPSA-N 324.340 1.669 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 1888846739 BBYFROLDNMLIAH-LBPRGKRZSA-N 301.350 1.060 0 40 DDAB CCc1ncnc(N2CCO[C@@H](C(=O)N3CCCC3)C2)c1F 1889098687 QMPMEIOJLDLHDD-GFCCVEGCSA-N 308.357 1.006 0 40 DDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCCC3)C2)nc(C2CC2)n1 1889099246 ZRQPANQAMDWZCN-CQSZACIVSA-N 316.405 1.490 0 40 DDAB Cn1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)cn1 23442335 UDFCRVXMLHBJPU-UHFFFAOYSA-N 302.353 1.517 0 40 DDAB CCN(CC)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 4479521 JYHBCDATQJNURB-LBPRGKRZSA-N 305.378 1.852 0 40 DDAB CC(=O)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665734 IAZGFBHDZCYVMU-UHFFFAOYSA-N 303.709 1.326 0 40 DDAB CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[nH]1 12008038 FKXDSKNZIYPWHS-UHFFFAOYSA-N 313.317 1.791 0 40 DDAB CN([C@@H]1CCCN(c2ncc(F)cn2)C1)S(=O)(=O)C1CC1 2086886929 FGUDYQFSPILCCB-LLVKDONJSA-N 314.386 1.009 0 40 DDAB O=C(NCCn1ccn2nccc12)c1cc(=O)c2ccccc2o1 206744095 WWIYGPUHVKOQEV-UHFFFAOYSA-N 322.324 1.672 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@H](Oc2ccncc2)C1 575613567 RYIGLRLMMYXECI-AWEZNQCLSA-N 319.386 1.709 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncc(-c2cccc(F)c2)o1 96447046 IYILGHFUVQZNGR-OLZOCXBDSA-N 320.320 1.589 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnnn1C1CC1 30341963 HVJDNZZDPQZLOT-VIFPVBQESA-N 321.410 1.478 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40466696 JIMZOOMPRLHZSX-CMPLNLGQSA-N 315.366 1.239 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CCCc1nc(C(C)(C)C)no1 40516144 LRIDQOOSSRPSDW-UHFFFAOYSA-N 322.409 1.427 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccc(OC)cc3)C=C[C@H]1O2 101443231 FZIWRTKVHSYYOT-PXAZEXFGSA-N 316.309 1.502 0 40 DDAB NC(=O)Cn1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1 32931793 NFDMSLRLHSWUDG-UHFFFAOYSA-N 312.251 1.640 0 40 DDAB COc1ccccc1OCCN(C)c1ncnc2c1cnn2C 52510095 WXTWNCCNJBQJPC-UHFFFAOYSA-N 313.361 1.887 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)N(C)C 32927505 YBCZOFSSVCMYSL-NSHDSACASA-N 319.814 1.126 0 40 DDAB O=C1COc2cc(C(=O)OCC(=O)c3ccc[nH]3)ccc2N1 22259146 SZXUWUZKUWNHSK-UHFFFAOYSA-N 300.270 1.385 0 40 DDAB C[C@]1(c2c(F)cccc2F)NC(=O)N(CC(=O)NC2CC2)C1=O 47356636 VWLUWCIMZVSPJB-OAHLLOKOSA-N 323.299 1.010 0 40 DDAB CN1CC[C@H](Nc2nc(-c3ccncc3)nc3c2CCC3)C1=O 78021107 IZRWFODQBFCSQD-AWEZNQCLSA-N 309.373 1.670 0 40 DDAB C[C@@H]1CN(C)c2ccccc2N(C(=O)Cn2ccccc2=O)C1 78878396 HEKAQFWMXSLZLA-CQSZACIVSA-N 311.385 1.967 0 40 DDAB NC(=O)c1cc(CNC(=O)Nc2cccc3cccnc23)on1 79100300 HMCIIRMADWHOGC-UHFFFAOYSA-N 311.301 1.643 0 40 DDAB Cn1cc(S(=O)(=O)N2CCc3ccc(F)cc32)nc1Cl 79106675 VPNTXLFAWQXGSW-UHFFFAOYSA-N 315.757 1.964 0 40 DDAB CCN(CC)CCCNCC(=O)Nc1ccccc1C(=O)OC 2649492 NBFKIDFOVISKHR-UHFFFAOYSA-N 321.421 1.733 0 40 DDAB c1ccc(-n2nnnc2Cc2nnnn2-c2ccccc2)cc1 4320512 BRHFFZPQSZXOOY-UHFFFAOYSA-N 304.317 1.229 0 40 DDAB O=C1CN(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cn2)CCN1 105635110 HGYSCAXYTXBGKH-OBJOEFQTSA-N 314.389 1.393 0 40 DDAB CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(C)=O 4983221 RZVPBCPANJWQKW-QWSMXIIPSA-N 322.313 1.452 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC#N)cc1 6154386 WKFZMBMDVCIOJD-CQSZACIVSA-N 315.329 1.780 0 40 DDAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(N)=O)c2)c1 6678613 UNBPTQRFLCSSFX-UHFFFAOYSA-N 310.400 1.981 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCc2ccc(C)cc2)c1 8372436 XTCJXYCJTGXCHT-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB NC(=O)C1CCN(CC(=O)N2CCSc3ccccc32)CC1 25785438 SLFRCOBWQFLGLW-UHFFFAOYSA-N 319.430 1.323 0 40 DDAB Cc1cc(C)cc(OCC(=O)OCC(=O)NC[C@@H]2CCCO2)c1 3262321 NGTROSNVBKGBBV-AWEZNQCLSA-N 321.373 1.521 0 40 DDAB O=C(NCC1CC1)c1ccc(=O)n(CCOc2ccccc2)n1 26205192 XIWPSXNEUKAHRB-UHFFFAOYSA-N 313.357 1.462 0 40 DDAB c1csc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 107746706 JYUCUCVENFJMST-KBPBESRZSA-N 316.430 1.876 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 9087656 BXMIPYHVTJSGSQ-LLVKDONJSA-N 301.306 1.199 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2)cc1F 44492785 ZVVUADPJUAVMSS-JTQLQIEISA-N 302.371 1.255 0 40 DDAB CC(C)NC(=O)CN(C)C[C@@H](O)COc1ccc(Cl)cc1 27256497 ORFIDMOZQZLLLO-CYBMUJFWSA-N 314.813 1.536 0 40 DDAB C[C@@H](NC(=O)COn1nnc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 103052756 OCNKOKCBEKYTDS-SYQHCUMBSA-N 314.389 1.801 0 40 DDAB Cc1nc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccco2)cs1 58296865 JHOHUIZOGHKTRY-BRAIEQGRSA-N 319.386 1.879 0 40 DDAB COCCN(C)CCCNC(=O)c1ccc(N(C)C)c(F)c1 58390907 SZBGRKWZXPGVSN-UHFFFAOYSA-N 311.401 1.590 0 40 DDAB CN(C)[C@H](CNC[C@H]1CNc2ccnn2C1)Cc1ccccc1 58356152 UTTOJRAVZULPKR-IRXDYDNUSA-N 313.449 1.687 0 40 DDAB COc1ccc(CNC(=S)NCCCN2CCCC2=O)cc1 3378993 MBQHAVFMIBGZQE-UHFFFAOYSA-N 321.446 1.672 0 40 DDAB C/C=C/Cn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 13512437 AELMSCHSHQMFKP-VPIOIWJLSA-N 308.407 1.890 0 40 DDAB NS(=O)(=O)c1cccnc1N1CC[C@@H](c2cccc(F)c2)C1 95396266 GAZIIZWNCLZHMJ-GFCCVEGCSA-N 321.377 1.862 0 40 DDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NC1CC1)O2 64988588 RQMSSTAYKAFOCL-CQSZACIVSA-N 324.402 1.191 0 40 DDAB C[C@@H](O)CNc1nc(NCc2ccccc2)c2cnn(C)c2n1 4374967 MHGVMJMVFPPOJS-LLVKDONJSA-N 312.377 1.768 0 40 DDAB CN1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 65462659 UDJUOVCPBZUVPF-CQSZACIVSA-N 311.385 1.866 0 40 DDAB C[C@H](CNC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 65434628 BRSREIFCYAMLHG-LLVKDONJSA-N 301.350 1.294 0 40 DDAB NC(=O)c1ccccc1OCC(=O)N1CCc2sccc2C1 14141018 VUHJSTJHKAVNPS-UHFFFAOYSA-N 316.382 1.811 0 40 DDAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 5576596 HHSCBRGBYZKAJR-UHFFFAOYSA-N 316.313 1.825 0 40 DDAB O=C(COC(=O)c1n[nH]c2ccccc12)NCC(F)(F)F 5826844 SWZRFKOAJUIQRD-UHFFFAOYSA-N 301.224 1.398 0 40 DDAB CCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)CC 20448828 AOSPITYKMHXPHT-LLVKDONJSA-N 310.419 1.927 0 40 DDAB CC(=O)N1CCCN([C@H](C)C(=O)Nc2ccccc2C)CC1 15519937 LWEGAIUMBINFQO-CQSZACIVSA-N 303.406 1.876 0 40 DDAB CC(=O)N1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216556 RMIGSIBESOBBCR-MRXNPFEDSA-N 302.422 1.907 0 40 DDAB O=C(CNC(=O)c1ccc2ccccc2n1)NCc1ccco1 7951917 UHJQAMZPWXXBEQ-UHFFFAOYSA-N 309.325 1.874 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCCNC2)cnn1-c1ccc(F)cc1 178391943 ALSUYUCZYWSXDM-CYBMUJFWSA-N 302.353 1.802 0 40 DDAB COc1ccc(-c2nc(C(=O)O[C@H](C)C(N)=O)cs2)cc1 8005141 RQNICVPRHIOYJM-MRVPVSSYSA-N 306.343 1.849 0 40 DDAB C[C@H](CNC(=O)c1ccc2ccccc2n1)N1CCN(C)CC1 71867466 CINKNHRLJHHDQB-CQSZACIVSA-N 312.417 1.601 0 40 DDAB NC(=O)c1ccc(=O)n(Cc2nc3ccccc3n2C(F)F)n1 69453505 NCJQVSGDDLXTAF-UHFFFAOYSA-N 319.271 1.135 0 40 DDAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1Cc2ccccc2O1 69560994 YOPWEUALUPLFSO-CQSZACIVSA-N 323.308 1.972 0 40 DDAB CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)cc3c2=O)[nH]1 19962808 BYWJGTXWLSUBOJ-UHFFFAOYSA-N 313.317 1.161 0 40 DDAB CCOC(=O)C(C)(C)N(C)CC(=O)NCc1ccc(OC)cc1 69658298 FXLQADCZAVEALU-UHFFFAOYSA-N 322.405 1.585 0 40 DDAB C[C@H]1CN(CCc2ccccn2)CCN1c1ccc2nncn2n1 69621889 IDBVYEWTIKLBJF-AWEZNQCLSA-N 323.404 1.273 0 40 DDAB CCN(C(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1)C1CCCCC1 69652673 QIPQFBBPQLGEON-GDBMZVCRSA-N 311.470 1.476 0 40 DDAB COCCN1CCN(Cc2nc(-c3ccsc3)no2)C[C@@H]1C 69951072 WZDCOVSPLZTGAM-LBPRGKRZSA-N 322.434 1.951 0 40 DDAB C[C@@H]1OCCN(C(=O)NCc2ccc(-n3ccnc3)nc2)[C@H]1C 95421692 ISSIVQSZHCEIJV-STQMWFEESA-N 315.377 1.586 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 8848735 XAQFXTPXZXBFIL-DTWKUNHWSA-N 321.402 1.374 0 40 DDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC1CCCCC1 8946110 QDPMLIYEVNHNAW-UHFFFAOYSA-N 321.421 1.938 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2cc3ccccc3[nH]2)n1 8986885 DHZCAZWYSSOEEN-UHFFFAOYSA-N 312.333 1.358 0 40 DDAB CS(=O)(=O)c1ccc(-c2nnc(SCC(=O)O)o2)cc1 9764094 NPKDZEFZITWKJY-UHFFFAOYSA-N 314.344 1.317 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402711 WDTYFCOKRACBNH-JTQLQIEISA-N 318.402 1.898 0 40 DDAB C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@H]1CCC[C@@H]1C(=O)O 95424752 FFPXNBSKWKKXNN-DRZSPHRISA-N 310.394 1.441 0 40 DDAB CN1CCO[C@H](CNCc2coc(-c3cccc(F)c3)n2)C1 72267934 NVISEDRBLXIFEE-OAHLLOKOSA-N 305.353 1.901 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)NCc3cccs3)C2)cn1 72287579 OLAUXCSEUJIFLW-LLVKDONJSA-N 305.407 1.560 0 40 DDAB Cc1cccc(C)c1CNC(=O)N1CCOC[C@H]1C[C@H](C)O 97162018 PKHBCZOXHWBJMA-LSDHHAIUSA-N 306.406 1.985 0 40 DDAB C[S@@](=O)C[C@H](NC(=O)c1ncccc1O)c1ccccc1 97141372 BQWVHUGDEXDIRR-QKVFXAPYSA-N 304.371 1.637 0 40 DDAB CC1(C(=O)N2CC(CO)C2)CCN(Cc2ccccc2)CC1 97101057 XDCFHLHFIWLMST-UHFFFAOYSA-N 302.418 1.739 0 40 DDAB Cc1nn(CCO)c(C)c1CNC[C@H]1COc2ccccc2O1 97159757 HTOUTLFXBGENQF-AWEZNQCLSA-N 317.389 1.422 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)Cc1ccc(Cl)cc1Cl 88375775 UYGMDPVHFMDXGQ-LLVKDONJSA-N 318.156 1.848 0 40 DDAB COCCN1CCC(CNC(=O)[C@H]2C[C@H]2c2ccco2)CC1 89414215 BQDYLPLEHRVFPH-CABCVRRESA-N 306.406 1.858 0 40 DDAB Fc1ccc(-n2cc(C3=NN=C(NC4CC4)SC3)nn2)cc1 75080566 WARUTMJVWBVVSP-UHFFFAOYSA-N 316.365 1.965 0 40 DDAB Cc1ccc(CCNC(=O)CNC(=O)/C=C/c2ccccc2)cn1 75137214 YDVOXKFVAILBDK-MDZDMXLPSA-N 323.396 1.878 0 40 DDAB CC(C)CN(CC(C)(C)C)C(=O)NC[C@@H]1CN(C)CCN1C 89840120 YSFQFJDYBIFEEL-OAHLLOKOSA-N 312.502 1.946 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccc(F)cc1 89904361 KKRNJIVNLKRRKE-FZMZJTMJSA-N 306.341 1.444 0 40 DDAB CC(C)CCO[C@H](C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76052483 QKWGIICDHFUHJE-ARFHVFGLSA-N 312.454 1.617 0 40 DDAB CC(C)(C)OC(=O)N1CCC(NC(=O)C2CCOCC2)CC1 67800586 FCCGVHANBYSCAV-UHFFFAOYSA-N 312.410 1.929 0 40 DDAB Cc1nc2ccc(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2nc1C 532256022 GDMCTFDOMDXZHR-CQSZACIVSA-N 315.329 1.172 0 40 DDAB CCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 180504598 QYNKUZWIQITKCV-NSHDSACASA-N 315.295 1.908 0 40 DDAB CN(C)CCN1Cc2cc3cc4c(cc3nc2OC1=O)OCO4 72396355 LDEUUEBZYSPFEF-UHFFFAOYSA-N 315.329 1.840 0 40 DDAB Cc1cc2c(nc1C)oc1c(N(CCO)CCO)ncnc12 71282827 ZXMZSUBKXWMSLQ-UHFFFAOYSA-N 302.334 1.179 0 40 DDAB O=C(NC[C@@]1(OCCO)CCSC1)c1ccccc1Cl 1565519642 KJAJYVZWOIDOOL-AWEZNQCLSA-N 315.822 1.954 0 40 DDAB O=C1c2cnc(N3CCC(O)CC3)nc2CN1Cc1ccccc1 72260031 CXIWCZCTESNATA-UHFFFAOYSA-N 324.384 1.594 0 40 DDAB CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(N)c1 39947451 UJZQPLOFKPJIAN-UHFFFAOYSA-N 315.395 1.072 0 40 DDAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(C)C)[C@@H]2CO)cc1 72321123 PIKRTEYKLFKEIM-NVXWUHKLSA-N 320.389 1.562 0 40 DDAB biogenic,in-vitro CS(=O)(=O)N1CC[C@H](Cc2cnc(Br)cn2)C1 72363364 SXVMOKCFVWPPSF-MRVPVSSYSA-N 320.212 1.063 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CCCN2C(N)=O)c(OC(C)C)c1 123781041 DFFAHHCBPCJMBO-AWEZNQCLSA-N 319.405 1.942 0 40 DDAB CN(C(=O)OCc1ccccc1)[C@H]1CCCN(CC(=O)O)C1 79413673 ZDTWCOHNTQPTJW-AWEZNQCLSA-N 306.362 1.804 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1CCc1ccc(Cl)nn1 72343962 HELNXXFMAVIIJD-NSHDSACASA-N 303.815 1.877 0 40 DDAB Cc1cc(C)nc(N2CCC(C(=O)Nc3nc[nH]n3)CC2)n1 79485977 DCWLCIIMKGLGMY-UHFFFAOYSA-N 301.354 1.067 0 40 DDAB CCOc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 136667015 XYOVHLOQDKPFIP-NWDGAFQWSA-N 312.416 1.739 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)n2ncnc2n1 568174451 ZENRSBFIQYWFOO-NSHDSACASA-N 316.365 1.018 0 40 DDAB O=C(c1cnc2ccccc2n1)N1CCC2(CC1)OCCCO2 75156626 QQWXCMVMRQZYKT-UHFFFAOYSA-N 313.357 1.999 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ncnc3sccc23)C1 42108357 QWVGOIBTBGYKOT-SECBINFHSA-N 312.420 1.209 0 40 DDAB COC(=O)[C@H](CNC(=O)Cc1cc(C)on1)c1ccc(F)cc1 192707810 IFHSJOAVMJCJPV-CQSZACIVSA-N 320.320 1.738 0 40 DDAB COC(=O)c1cc(N2C[C@@H](C(=O)OC)CC2=O)ccc1Cl 45953284 JMKPEJVNGLOGGR-QMMMGPOBSA-N 311.721 1.653 0 40 DDAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCOCC1 227150205 MGXOAKSSZRLFEN-ZDUSSCGKSA-N 301.346 1.498 0 40 DDAB COCC1(C(=O)N2CCC(c3nnc(O)o3)CC2)CCCC1 331879973 GBLAZGNFTOFBJP-UHFFFAOYSA-N 309.366 1.688 0 40 DDAB CCCn1nc(C(=O)OCC)c(I)c1N 95094659 PMWBMNDITHKKOB-UHFFFAOYSA-N 323.134 1.657 0 40 DDAB CC(C)n1nnc(-c2ccc(C(=O)Nc3cnn(C)c3)cc2)n1 96231488 WYLUDPLLCGJAIT-UHFFFAOYSA-N 311.349 1.907 0 40 DDAB CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)Nc3cccnc3C)[C@@H]2C1 96043377 BGTKYEWCQNENBB-IJEWVQPXSA-N 317.389 1.602 0 40 DDAB Cc1ccsc1C(=O)OC1CCN(CC(=O)N(C)C)CC1 96410820 SEIWFQRNWJBWKQ-UHFFFAOYSA-N 310.419 1.766 0 40 DDAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1cccnc1 95477818 HSEWJLVFEDCMNP-UHFFFAOYSA-N 312.304 1.361 0 40 DDAB Cc1cnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 96246242 YCOXNXZMSRERQQ-CVEARBPZSA-N 312.421 1.477 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1-n1cnnn1 95447870 BUXGTXYLOSYHEZ-HZPDHXFCSA-N 321.340 1.050 0 40 DDAB Cc1ccc2c(O)c(C(=O)N[C@H](C)c3cnn(C)c3)cnc2n1 95449791 DJRZTHAZPMPJMT-SNVBAGLBSA-N 311.345 1.868 0 40 DDAB CCOc1ccc(CNC(=O)C(=O)NCc2ccccn2)cc1 339529536 CYPKFGVCNKNPOB-UHFFFAOYSA-N 313.357 1.413 0 40 DDAB Cc1cccc(S(=O)(=O)N2Cc3nc(CN(C)C)oc3C2)c1 96260253 NXQLJFQYDBVMHJ-UHFFFAOYSA-N 321.402 1.749 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1=O 96202840 AYIFOMDFVMAQMT-UHFFFAOYSA-N 316.401 1.706 0 40 DDAB Cc1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)no1 96040621 PKJKKSKHFUXNPQ-UAGQMJEPSA-N 321.421 1.295 0 40 DDAB CC(=O)NCc1ncn2c1CN(c1ccc(C)nn1)CCC2 96084678 HXCQAZPPRLHURO-UHFFFAOYSA-N 300.366 1.028 0 40 DDAB COc1ccc2cnn(CC3CCNCC3)c(=O)c2c1OC 96511223 NGDHHNFDYVFNIN-UHFFFAOYSA-N 303.362 1.413 0 40 DDAB COCCN1CC2(CCN(c3ncccn3)CC2)C[C@@H]1COC 96207736 PCMWHCAPYOEFDZ-OAHLLOKOSA-N 320.437 1.430 0 40 DDAB c1ccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)nc1 96188544 YWLMCBPDCOJTDQ-OAHLLOKOSA-N 308.389 1.807 0 40 DDAB COc1cccc(N2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)c1 96238946 DEIVKGQCUOVCLW-QGZVFWFLSA-N 317.389 1.806 0 40 DDAB C[C@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccc(F)cc1F 96413462 DCJLFARYPDRZJQ-QMMMGPOBSA-N 308.288 1.514 0 40 DDAB c1cnn(C[C@@H]2CC[C@]3(COCCN(Cc4ccoc4)C3)O2)c1 96063378 HUXVHDNTFZBDAA-IRXDYDNUSA-N 317.389 1.926 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccco2)n[nH]1 95479107 VGNIGYFHTHXCEK-UHFFFAOYSA-N 313.361 1.993 0 40 DDAB C[C@H](C(=O)Nc1cccc(F)c1)N(C)CCN1CCOCC1 69892749 HXSFSSBEVOKDIP-CYBMUJFWSA-N 309.385 1.417 0 40 DDAB Cc1ncsc1C(=O)N1CCOC[C@@H]1CCc1cnccn1 257317455 VJUYVEIYNSJLAN-ZDUSSCGKSA-N 318.402 1.715 0 40 DDAB CN(C(=O)Cc1cccnc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257235536 GYFSUDWUHWLIDD-BFYDXBDKSA-N 303.406 1.070 0 40 DDAB Cc1nccc([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257241497 HYGAZVKNSLYYSR-ZDUSSCGKSA-N 322.372 1.848 0 40 DDAB CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257342107 ZNCUEPPCKGCZJI-IIAWOOMASA-N 321.421 1.605 0 40 DDAB CN(C)C(=O)c1ccc([C@H]2CN(Cc3ncc[nH]3)CCO2)nc1 257274983 NNMNROVZYOVVFI-CQSZACIVSA-N 315.377 1.080 0 40 DDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccccn1)C2 253380702 BKYZRZGOSVFJKA-ZDUSSCGKSA-N 310.419 1.107 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C[C@@]12CCCO2 257255318 KHAJFSLWCKWFBC-HOCLYGCPSA-N 316.361 1.368 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Cc2cc(-c3cc[nH]n3)ncn2)C1 257242118 IBELRMPOSLJWCW-LLVKDONJSA-N 321.406 1.081 0 40 DDAB CNC(=O)c1cc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 257306114 SSYQMUGOYJQTRM-NSHDSACASA-N 316.336 1.538 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3nccn3C)CCO2)n1 257344838 ZYVCXKYTXSKGGD-CYBMUJFWSA-N 315.377 1.095 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)c(=O)n1C 257273124 NFIXSVLDWGBFEC-ZDUSSCGKSA-N 312.373 1.504 0 40 DDAB CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2COCCN2)cc1 261969622 CQWVWHNRUZDOQB-HZPDHXFCSA-N 305.422 1.305 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)C1 260767398 NPTGFTORAVIEFC-HIFRSBDPSA-N 324.446 1.878 0 40 DDAB CCCC(=O)N1CCC[C@H](C(=O)Nc2c[nH]c(C(N)=O)c2)C1 268069197 DISDKHZGQZFEGV-JTQLQIEISA-N 306.366 1.091 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC(C(=O)N(C)C)CC2)on1 26456257 MCQLSYOFNJVMGN-NSHDSACASA-N 308.382 1.110 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccccc1C(=O)O 585291729 SLHDAZWWGVPDPU-KFWWJZLASA-N 309.362 1.245 0 40 DDAB Cc1nn(CC(=O)NC(C)C)c(=O)c2c1cnn2C(C)(C)C 36665685 JPJPLNZCPXHVOR-UHFFFAOYSA-N 305.382 1.181 0 40 DDAB C[C@H]1NC(=S)N(c2ccc(C(=O)NC3CC3)c(Cl)c2)C1=O 55179552 SJVHGYOLCAGSDC-SSDOTTSWSA-N 323.805 1.842 0 40 DDAB CN(c1ccccn1)C1CCN(C(=O)N2CCOCC2)CC1 1889133974 YDQKEGVOXQYSMZ-UHFFFAOYSA-N 304.394 1.434 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)c1nc(Cl)ccc1Cl 78535488 DJXUGBVRCOMZCW-QMMMGPOBSA-N 302.161 1.739 0 40 DDAB CCc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)cc1 79102242 PIPSTBPIDRQQJT-UHFFFAOYSA-N 303.347 1.488 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2occc2COc2ccccc2)C1 41128093 XMRLIOGOLSBXNC-GFCCVEGCSA-N 314.341 1.806 0 40 DDAB C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@H](C(N)=O)O1 92006560 YKODVLJQVOJBGZ-CXAGYDPISA-N 311.385 1.823 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(C[C@H]3CCOC3)C2)C1=O 107505696 GGWADVBAWNTOCG-JKIFEVAISA-N 323.437 1.454 0 40 DDAB Cc1cc(=O)oc2ccn(Cc3nnc4ccccn34)c(=O)c12 1547212406 KRHNUDDWGBDZKE-UHFFFAOYSA-N 308.297 1.354 0 40 DDAB Cc1cc(=O)c(O)c(C2(CC(=O)NC3CC3)CCOCC2)o1 1547138197 AOBVVWSUPGUXMV-UHFFFAOYSA-N 307.346 1.371 0 40 DDAB biogenic CC(C)N(C(=O)Cn1nc(-c2ccco2)cc(N)c1=O)C(C)C 12146678 ZPCWIWXJNOWFJL-UHFFFAOYSA-N 318.377 1.731 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199399 TXGKWKBRBUKFCY-JTQLQIEISA-N 310.375 1.417 0 40 DDAB CSc1nc2n(n1)[C@@H](C(=O)Nc1cccc(C)n1)CC(=O)N2 14608525 PTIACORHEHKCNS-MRVPVSSYSA-N 318.362 1.225 0 40 DDAB Cn1ncc2cc(C(=O)N3CC[C@@H](Oc4ccccn4)C3)cnc21 531918972 NSRDDAIQZLVBJL-CQSZACIVSA-N 323.356 1.657 0 40 DDAB COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)C=C3CCN(C2)[C@H]31 28537635 VOIMPDXOQJYVDI-WNRNVDISSA-N 317.385 1.691 0 40 DDAB biogenic,in-vitro O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2ncccn2)CC1 7955804 VOXIRLMPBRUPLC-HNNXBMFYSA-N 310.357 1.129 0 40 DDAB CCc1ncnc(N2CCN(c3nccc(C)n3)CC2)c1F 1888899375 RAYMYRDFSUHYLY-UHFFFAOYSA-N 302.357 1.603 0 40 DDAB COc1ccc2nccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 1889117813 HTWBSERLWKLHRT-JTQLQIEISA-N 320.370 1.160 0 40 DDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CC2)N1CC1CCOCC1 1614931225 WWSXCNXVRQDURD-ZIAGYGMSSA-N 324.396 1.507 0 40 DDAB O=C(O)CCC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505658 NSBRQLMBVGKJGJ-UHFFFAOYSA-N 317.341 1.878 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ncccn2)n1 8856944 GMZPBYJVWAAQOA-UHFFFAOYSA-N 305.363 1.243 0 40 DDAB COc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)c(C)c1 44159212 ZJYVWOAJBNNBPL-UHFFFAOYSA-N 323.418 1.795 0 40 DDAB O=C1NCCN1C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 244998640 KNNGTQSIJHCCRU-CQSZACIVSA-N 321.358 1.312 0 40 DDAB C[C@](O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccco1 75156272 HHSZVLOCHREROV-HNNXBMFYSA-N 322.748 1.895 0 40 DDAB Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2ccccc12 98789 QHLQCYHJZIEJKG-UHFFFAOYSA-N 308.341 1.416 0 40 DDAB NC(=O)[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 40480430 FXMVTDBPEXZFBY-GFCCVEGCSA-N 322.372 1.517 0 40 DDAB CC(C)n1cc(C(N)=S)c(=O)n(Cc2ccccc2)c1=O 161385 ZEFAEYFGHMWLLI-UHFFFAOYSA-N 303.387 1.273 0 40 DDAB CC[C@H](C)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 102868608 RXVDQQZIIOZRKZ-GWCFXTLKSA-N 303.362 1.432 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1 33211880 PLDCFGTYAAFPGV-HNNXBMFYSA-N 312.373 1.613 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1 22705270 WXAFGQBPYPFCBZ-UHFFFAOYSA-N 320.370 1.856 0 40 DDAB C[C@H](C(N)=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 47262568 CPHFFUVZJUXFPR-SECBINFHSA-N 310.785 1.259 0 40 DDAB Cc1ccccc1Nc1nc(NN)nc(N2CCOCC2)n1 363248 UKOZNPGWYXBHBX-UHFFFAOYSA-N 301.354 1.046 0 40 DDAB CC(=O)N[C@@H]1CCCN(Cc2nc3ccccc3n(C)c2=O)C1 97201622 AVGUJNINMDYDJY-CYBMUJFWSA-N 314.389 1.034 0 40 DDAB CCCCn1nc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)ccc1=O 78895749 JXYQOZFVYIBLSG-GXTWGEPZSA-N 306.410 1.066 0 40 DDAB Cc1ncsc1CCN1CCO[C@@H](CNc2cccnn2)C1 78893723 GGRMQAVBWLHPHB-ZDUSSCGKSA-N 319.434 1.597 0 40 DDAB Cc1cc2n(C[C@@H](O)COc3ccccc3)c(C)cc(=O)n2n1 23873853 QOLSMOGURJKJSP-CQSZACIVSA-N 313.357 1.553 0 40 DDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cl 2620223 MOUSWKSFMZFOSK-JTQLQIEISA-N 303.767 1.968 0 40 DDAB CC(=O)NCCC(=O)OCC(=O)Nc1ccc(C(C)C)cc1 4339437 YAZDPUZFLOCHAH-UHFFFAOYSA-N 306.362 1.818 0 40 DDAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(O)nn1 24189252 VSGXPNAQKYTISS-UHFFFAOYSA-N 312.373 1.708 0 40 DDAB NC(=O)c1cccc(CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 106645919 VJFCWQGVTFKRPB-QEJZJMRPSA-N 301.390 1.404 0 40 DDAB CC(C)(CNCc1ccccc1-n1cccn1)NS(C)(=O)=O 84326212 VMLJHZFYVHIITM-UHFFFAOYSA-N 322.434 1.290 0 40 DDAB CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 50123490 BHPQLDAYYKXJJB-UHFFFAOYSA-N 318.398 1.624 0 40 DDAB Cc1ccc(C)c(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 10338231 ZVISKDRHTNPVCE-CYBMUJFWSA-N 312.435 1.983 0 40 DDAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cnccc1C)C2 108528539 RJLHUQPOVBXWDO-RHSMWYFYSA-N 301.390 1.768 0 40 DDAB NC(=O)[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 108118898 VDPPBNHPPAZFEI-LZWOXQAQSA-N 306.431 1.857 0 40 DDAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccncc1F)C2 108534912 UJZBLTQKDXJGAD-MLGOLLRUSA-N 305.353 1.599 0 40 DDAB C[C@H](NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)C1CC1 47979763 YWLRJTISDCULBW-WFASDCNBSA-N 307.438 1.139 0 40 DDAB COc1cccc(CCC(=O)N2CCN(C[C@H](C)O)CC2)c1 57636213 RZAXLCXUVZLMIY-AWEZNQCLSA-N 306.406 1.153 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1 44893432 YLQWAFQUGUXWDN-VIFPVBQESA-N 319.336 1.321 0 40 DDAB CCOc1ccc2cc(C(=O)NC[C@@H]3CN(C)CCO3)[nH]c2c1 58282934 ZEOSHKQGITZWEU-CQSZACIVSA-N 317.389 1.627 0 40 DDAB C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1 44945983 IDLBROPBWAPIHA-ZYHUDNBSSA-N 322.386 1.980 0 40 DDAB O=C(CN1CSCC1=O)NCCc1cccc2cccnc12 12772950 RXJLIUKQLLRNQR-UHFFFAOYSA-N 315.398 1.426 0 40 DDAB O=C([C@@H]1SCCc2sccc21)N1CCN(CCO)CC1 84618267 IIWGSJFKABEJGL-CYBMUJFWSA-N 312.460 1.215 0 40 DDAB O=C(NCC1CC1)NC[C@@H](c1ccccc1)N1CCOCC1 45041123 IBIDDOCKFLNNDX-INIZCTEOSA-N 303.406 1.769 0 40 DDAB CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2CCOCc2ccccc2)O1 107207828 FSXFEOADJSZCMS-BRWVUGGUSA-N 318.417 1.571 0 40 DDAB Cc1noc(CCCC(=O)NC[C@H]2Cc3ccccc3O2)n1 46787548 RNAUMEJOIHYQLT-CYBMUJFWSA-N 301.346 1.821 0 40 DDAB CNC(=O)NC(=O)CSc1ccc(Br)cc1 3547800 UKRLMYLIMYRFOL-UHFFFAOYSA-N 303.181 1.997 0 40 DDAB C[C@]1(C(=O)NCCCNc2ncccn2)CC1(Cl)Cl 48607248 WHGFDUFVRVSJGQ-LLVKDONJSA-N 303.193 1.979 0 40 DDAB O=C(CSc1ncccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 13023234 NFOXIGSLXHQSMJ-UHFFFAOYSA-N 301.331 1.377 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 72235705 IFTURMQVYGVQKN-KBPBESRZSA-N 304.394 1.142 0 40 DDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 6011732 IHIBLYSNDJDNNG-AATRIKPKSA-N 321.285 1.016 0 40 DDAB COCCn1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 5015952 LAGQESBKBNNAFZ-VIFPVBQESA-N 307.375 1.009 0 40 DDAB Cc1cc(C(=O)O)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 4218556 IQLLNIKUNMMXRV-UHFFFAOYSA-N 308.359 1.499 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 65449849 RWFYMGAIVVVHAC-GHMZBOCLSA-N 300.380 1.039 0 40 DDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CC[C@H](C(N)=O)C1 65463688 AOUQKILQNMFRBL-JTQLQIEISA-N 316.386 1.461 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H](C)N2CCOCC2)n1 72233986 XGSYODPWHJQOQO-HZPDHXFCSA-N 320.437 1.212 0 40 DDAB Cc1noc2ncc(C(=O)N[C@@H](C)C(=O)NC3CCCC3)cc12 65535391 HZDADADGHGHQGB-JTQLQIEISA-N 316.361 1.708 0 40 DDAB CCN(CC)C(=O)COC(=O)C(=O)NCCCc1ccccc1 65502196 XZOZVKISKDUVDY-UHFFFAOYSA-N 320.389 1.147 0 40 DDAB CNC(=O)c1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 14161808 OPECALAMFIPQJC-TXEJJXNPSA-N 305.378 1.094 0 40 DDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccc(F)cc1 14135279 LBBVUMLYXXSLFU-GFCCVEGCSA-N 315.300 1.862 0 40 DDAB Cc1csc(SCC(=O)N[C@@H]2CCCS2(=O)=O)n1 72265542 DKBNGKXPYZLJLY-VIFPVBQESA-N 306.434 1.195 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cn1 71796818 QASDDNLOWPXFSV-BXUZGUMPSA-N 302.378 1.095 0 40 DDAB COc1ccc(N2C(=O)C=C(NCCc3ccncc3)C2=O)cc1 4818580 HMNSRPVGDFMPFW-UHFFFAOYSA-N 323.352 1.680 0 40 DDAB O=C1NC2(CCN(Cc3ccncc3)CC2)N2CCCC[C@H]12 96429888 RKDRJUKRBQRMDV-OAHLLOKOSA-N 300.406 1.358 0 40 DDAB C[C@H]1CCCCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 7525298 XHNLDNJUGQBZCG-LBPRGKRZSA-N 310.419 1.903 0 40 DDAB COc1ccc(Cl)cc1C(=O)N1CCC(NC(N)=O)CC1 80783942 GCEZBSFEWQRPLP-UHFFFAOYSA-N 311.769 1.622 0 40 DDAB CCc1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 68496753 NVGOINWGRNGKAM-UHFFFAOYSA-N 324.446 1.698 0 40 DDAB COCCN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 71880148 UMYBWQQWYHZTSK-GFCCVEGCSA-N 300.424 1.183 0 40 DDAB CCCN(CC(=O)NC)Cc1cc(=O)oc2c(C)c(O)ccc12 70017873 PWFWFOMYRHXFLG-UHFFFAOYSA-N 318.373 1.765 0 40 DDAB Cc1nc(CNCc2cccnc2N2CCN(C)CC2)cs1 71834566 CXUVJMIYYVCGED-UHFFFAOYSA-N 317.462 1.888 0 40 DDAB CCO[C@H]1C[C@H]1C(=O)NCC1(N2CCCCC2)CCOCC1 71896788 UECKXYLDHNCSPR-CABCVRRESA-N 310.438 1.563 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3cscn3)CC2)n1 69518332 VRIYBDQWLABOMX-UHFFFAOYSA-N 319.390 1.294 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 69656324 FHVRREZQFOFJRR-ZDUSSCGKSA-N 320.393 1.011 0 40 DDAB COc1cc(Cl)ccc1CNS(=O)(=O)c1cnn(C)c1 69740834 TZGPSIMZUUMFOB-UHFFFAOYSA-N 315.782 1.561 0 40 DDAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCCn1ccnc1 83884499 YLYPKQHXKNBPGY-UONOGXRCSA-N 307.394 1.901 0 40 DDAB COCCO[C@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 83888782 AJVRJOHDJHCDDS-ZYHUDNBSSA-N 309.366 1.662 0 40 DDAB CCCS(=O)(=O)N1CCN(c2ccc(F)cc2OC)CC1 71909121 JIFIHUVKNRCKHI-UHFFFAOYSA-N 316.398 1.696 0 40 DDAB CN1CC[C@@H](Sc2nnc(-c3ccccc3F)n2C)C1=O 69967663 UTHGTRBLBXBUJC-LLVKDONJSA-N 306.366 1.944 0 40 DDAB CN(C)C(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 71915452 YWOKYNPCNRUHFU-UHFFFAOYSA-N 312.167 1.341 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@H]1CCCC[C@H]1O 88622554 AQIJALHRDWULMA-LSDHHAIUSA-N 315.377 1.370 0 40 DDAB CCN(CC)c1ccc(CNC(=O)c2ccc(C)[nH]c2=O)cn1 75120083 PIZFLKOMCMQSCC-UHFFFAOYSA-N 314.389 1.855 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C)C2)n1 75129685 MFHBHPOLVWEENN-HUUCEWRRSA-N 318.421 1.359 0 40 DDAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)NS(=O)(=O)N1CCCC1 89702014 OXYYBCMERDWXSL-QWRGUYRKSA-N 314.432 1.617 0 40 DDAB O=C(c1cccc(F)c1)N(CCO)CCOCC(F)(F)F 89774699 DHMOATGYGTWJKO-UHFFFAOYSA-N 309.259 1.839 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 89830234 RUSPHNPNFOUCIE-AWEZNQCLSA-N 303.358 1.711 0 40 DDAB CC(C)n1ccc(CC(=O)N2CCOC[C@H]2c2cccn2C)n1 1548471531 KKVFNPQGFUWQSS-INIZCTEOSA-N 316.405 1.945 0 40 DDAB CC(C)n1nccc1C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 548678875 YPVUSXHISBWSHE-HNNXBMFYSA-N 320.437 1.647 0 40 DDAB O=C(NCCO)C1CCN(C(=O)c2ccccc2Cl)CC1 408969534 PPJPRIWWJFSZIO-UHFFFAOYSA-N 310.781 1.301 0 40 DDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)CC(C)C)C2 306124025 BDKBTEOYBWLNIT-LBPRGKRZSA-N 303.424 1.085 0 40 DDAB COc1ccc2cc3c(nc2c1)SC1=NN[C@H](OC)N1C3 72414098 VFXKARCVHXXUGD-ZDUSSCGKSA-N 302.359 1.955 0 40 DDAB CN(C)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cn1 79144744 GRTOFGYHGRWADB-HNNXBMFYSA-N 314.389 1.873 0 40 DDAB Cc1cc(N2CCO[C@@H](c3ccc(N(C)C)cn3)C2)nc(N)n1 72388052 NJBXRADGCSOOFC-CQSZACIVSA-N 314.393 1.406 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 72341466 ZNDKDDDFWCYFPL-FRRDWIJNSA-N 301.390 1.552 0 40 DDAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)NC[C@H]2C1 77266112 PXRPFEAOJZQNOA-NSHDSACASA-N 313.279 1.555 0 40 DDAB biogenic,in-vitro O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cc(-c2ccccc2)n[nH]1 75158416 NDKKRNHAOACLJH-LBPRGKRZSA-N 310.357 1.570 0 40 DDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218444109 DZEVCIXWBXZONC-IXDOHACOSA-N 317.410 1.625 0 40 DDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nc(C(=O)O)co1 563206089 JGSFUXCFHKKOIQ-SECBINFHSA-N 324.358 1.974 0 40 DDAB O=C(c1ncncc1Cl)N(CCO)CCc1ccccc1 85525189 IHVVOXMRHZKJLJ-UHFFFAOYSA-N 305.765 1.807 0 40 DDAB COc1cccc(C(=O)NCCCN2CCOCC2)c1OC 47465909 GMUUDBHVUJSZAJ-UHFFFAOYSA-N 308.378 1.156 0 40 DDAB COC(=O)c1cc(Cn2nnc3ccccc3c2=O)c(C)s1 89124629 TYKGQFIRKMSBHM-UHFFFAOYSA-N 315.354 1.996 0 40 DDAB CO[C@@](C)(C(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccccc1F 192144478 FEGVURCMPLOYFY-YVEFUNNKSA-N 322.380 1.801 0 40 DDAB O=[S@](Cc1ccon1)c1nnc(NCC(F)(F)F)s1 83080109 NJCHVOACGGCRKI-IBGZPJMESA-N 312.298 1.808 0 40 DDAB NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@@H]3CCOC3)c2)C1 88717442 JMQCDLHMEOLJFJ-DLBZAZTESA-N 317.433 1.262 0 40 DDAB CC[C@H](NC1CCN(c2cc(C)nc(C)n2)CC1)C(=O)OC 192855657 UDLYUDYGJPNZCJ-AWEZNQCLSA-N 306.410 1.603 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN(C)C[C@H]2CCC=CO2)cc1 194010048 ZOTKHMJFWFFCOC-OAHLLOKOSA-N 324.446 1.898 0 40 DDAB O=C1C[C@H](c2ccncc2)C2(CCN(C[C@H]3CCOC3)CC2)N1 96069783 WQPNEPXQYKCQQY-GDBMZVCRSA-N 315.417 1.556 0 40 DDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2[C@H](CCN2CC2CC2)O1 96186587 AERLAZQRXHFRGP-ULQDDVLXSA-N 315.417 1.682 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(SC)cc1 96103048 DMUBFGFUYCRXBS-ZDUSSCGKSA-N 321.402 1.614 0 40 DDAB COC[C@H]1C(=O)NCC12CCN(C(=O)c1cc(C)oc1C)CC2 96208119 ISSAPWMHOFJEFM-AWEZNQCLSA-N 320.389 1.511 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@H](N(C)C)C[C@H]2C(=O)O)cc1 96068959 RDIZQSCAQWNMAI-HIFRSBDPSA-N 320.389 1.244 0 40 DDAB CN1CC[C@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 96201958 FZIGEQXMADMQJY-KRWDZBQOSA-N 306.381 1.549 0 40 DDAB c1cnc(N[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96048358 XYKSXVAPKGIRSQ-CJNGLKHVSA-N 312.377 1.507 0 40 DDAB Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)NCC(=O)O)cc1 252533001 FRIKNGAIQQWXJL-CXAGYDPISA-N 304.390 1.969 0 40 DDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CC2CCCC2)n1 257235972 HAHURBQDURUWJS-AWEZNQCLSA-N 305.378 1.971 0 40 DDAB CCc1nccn1-c1ccc(C(=O)N2CCC(CO)CC2)cn1 257343629 ZTUJMBSVTSBHIA-UHFFFAOYSA-N 314.389 1.674 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cc(Cl)no2)n1 257297446 RHGHVFBFANXDCS-NSHDSACASA-N 324.768 1.892 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nnc2n1CCNCC2 257294710 QVIXXYNUVUXDNL-GFCCVEGCSA-N 321.425 1.886 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cnccn2)C1 257209520 BQTAMRNQZJETGI-AWEZNQCLSA-N 302.334 1.224 0 40 DDAB CNc1nccnc1[C@@H]1CN(CCOc2ccccc2)CCO1 257249792 JJUICTMNBRCVTQ-HNNXBMFYSA-N 314.389 1.971 0 40 DDAB Cc1cccc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)n1 257207381 BHMQRXOZIQCTSE-MRXNPFEDSA-N 314.389 1.719 0 40 DDAB COc1ccc(C[C@H]2COCCN(CC(=O)N(C)C)C2)cc1 257298407 RLMFNAGYXIUXCC-OAHLLOKOSA-N 306.406 1.274 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CN3CCCC3=O)CO2)C1 575404218 ALVGAEVCIAODCI-HZSPNIEDSA-N 306.406 1.272 0 40 DDAB CC(C)C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585098198 RYOPRPMOHJLQIR-GFCCVEGCSA-N 318.421 1.654 0 40 DDAB CO[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1Cc1ccccc1 585113514 WITGDVDGVTXEMC-HUUCEWRRSA-N 314.389 1.535 0 40 DDAB Cc1ccoc1C(=O)N1CCn2cc(C(=O)N(C)C)nc2[C@H]1C 585096252 CVSJPOOHRQTRPM-LLVKDONJSA-N 316.361 1.703 0 40 DDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]3C2)cs1 585107609 RGVIPPWOBULVJV-OKILXGFUSA-N 316.430 1.984 0 40 DDAB CC1CCN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)CC1 1551557420 FBRIUNKBWFTQST-OLZOCXBDSA-N 305.344 1.970 0 40 DDAB COc1cc(CN[C@@H]2CCc3ncnn3C2)cc2c1OCO2 69560228 VOALWRGLUKYTMT-LLVKDONJSA-N 302.334 1.120 0 40 DDAB COc1cccc(S(=O)(=O)CCN2CCCC[C@H]2CO)c1 69627327 PSGHPSFBGOVDGQ-ZDUSSCGKSA-N 313.419 1.316 0 40 DDAB Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc(Cl)c1Cl 32656151 IXNOUTNXEFAOLV-UHFFFAOYSA-N 304.177 1.669 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)NC1CCN(CC(F)F)CC1 72274286 BFRAWHUWBVVJBD-CYBMUJFWSA-N 319.396 1.926 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 36389736 GLIALCKXECMFMX-JTQLQIEISA-N 310.785 1.226 0 40 DDAB Cn1ncc2c(NC[C@]3(O)CCOc4ccccc43)ncnc21 1776001687 GPOVZNUORIBDPD-MRXNPFEDSA-N 311.345 1.446 0 40 DDAB CC1CCN(S(=O)(=O)c2nn(C(C)C)cc2C(=O)O)CC1 49411640 SCUORFJYLSKHEC-UHFFFAOYSA-N 315.395 1.583 0 40 DDAB C[C@@H]1CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C[C@H]1N(C)C 76050697 MGFQXSNFWNLOOC-DWQUBVKVSA-N 316.401 1.567 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)c1cc2c(s1)CCCCC2 88376103 XPISEOJOFVQOGG-LLVKDONJSA-N 309.387 1.943 0 40 DDAB Cc1nc2ccccc2n1CC(=O)N[C@@H](C(N)=O)c1ccccc1 42038031 PGHRYZREBNGJBX-QGZVFWFLSA-N 322.368 1.688 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C)s1 98010370 NPRZOLUXYJRDAG-CYBMUJFWSA-N 318.402 1.634 0 40 DDAB CC(C)N1CCC(N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)CC1 1615155219 PAUNBJKNFPDRSR-HOTGVXAUSA-N 309.454 1.181 0 40 DDAB O=C([C@H]1CC(c2ccc(Cl)cc2)=NO1)N1CC[C@H](CO)C1 12325692 XDMBSCYGGSEMFS-IINYFYTJSA-N 308.765 1.674 0 40 DDAB Nc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)s1 13352962 DNMKMSMUMQISDT-UHFFFAOYSA-N 310.360 1.549 0 40 DDAB CCCc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 17053758 MFKAONLJGIBQRH-UHFFFAOYSA-N 316.361 1.278 0 40 DDAB COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 19334619 ZKBACHQFBAZJGF-BSDSXHPESA-N 318.369 1.913 0 40 DDAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]12 169298433 XMLLJWLJLCSFBK-NUZBWSBOSA-N 314.341 1.902 0 40 DDAB Cc1nc(Cc2noc(C[C@@H](O)c3cccc(F)c3)n2)no1 158003865 NRPNDSLLLYCWJN-LLVKDONJSA-N 304.281 1.767 0 40 DDAB O=C(O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)O)cc1 5598876 KBRASHVNQIKREA-UHFFFAOYSA-N 321.310 1.884 0 40 DDAB CC(C)N(C(=O)Cn1nc(-c2ccncc2)oc1=O)C(C)C 12115892 KGVHKYAQEATGKF-UHFFFAOYSA-N 304.350 1.544 0 40 DDAB O=C([C@H]1CCc2ccccc2O1)N1CC(n2cc(C3CC3)nn2)C1 585149160 JHQLKJLRTPIZDJ-QGZVFWFLSA-N 324.384 1.933 0 40 DDAB CCNC(=O)NC(=O)COc1ccccc1Br 5999962 AECIFOYXVLOWTL-UHFFFAOYSA-N 301.140 1.674 0 40 DDAB Cc1cccc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)c1 1888865759 SMTAKKQLBTUHCE-INIZCTEOSA-N 320.458 1.771 0 40 DDAB O=C1CC(C(=O)N2CC3(C[C@H](NC4CCC4)CS3)C2)=CC=N1 2056223332 GKZLQYHYODVLNU-ZDUSSCGKSA-N 319.430 1.143 0 40 DDAB COc1ccc(CN2CCN(c3ncc(C)cn3)C[C@H]2C)cn1 2086910643 CPOYPIJOSNEQMH-CQSZACIVSA-N 313.405 1.899 0 40 DDAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3csnn3)C[C@@H]21 1565545192 XBARVYDIQBIPLO-GXSJLCMTSA-N 315.402 1.863 0 40 DDAB O=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1 421721 UBKMUCHKXCSEEB-UHFFFAOYSA-N 311.388 1.749 0 40 DDAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCCC1 807113 VEMQGEXKKYXSJV-UHFFFAOYSA-N 323.356 1.205 0 40 DDAB c1nc(C2CC2)cc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1775975519 JBSAVFPPSTUKRL-UHFFFAOYSA-N 322.376 1.347 0 40 DDAB O=C(NC1CCN(c2cnsn2)CC1)c1ccncc1F 585149062 YZYUKNOGZMQRIG-UHFFFAOYSA-N 307.354 1.471 0 40 DDAB O=C(NCc1cncc(N2CCCC2=O)c1)OCC(F)(F)F 606440580 CLEXQVKPIUCOEJ-UHFFFAOYSA-N 317.267 1.997 0 40 DDAB COc1ncccc1C(=O)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618254861 FUONZNRDSXGMTB-RYUDHWBXSA-N 313.361 1.690 0 40 DDAB c1nc(NCC2CCOCC2)c2ncn(C[C@H]3CCCO3)c2n1 2298048415 PPMMNNYVNZGEKQ-CYBMUJFWSA-N 317.393 1.844 0 40 DDAB Cn1c(O)c(C(=O)NC[C@@H]2CCCO2)c(=O)c2ccccc21 5730892 KLYHLQOLYDFMGL-JTQLQIEISA-N 302.330 1.153 0 40 DDAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1 20023310 BYFKQKPERKXGQW-UHFFFAOYSA-N 324.424 1.955 0 40 DDAB COc1ccc(C(=O)N2CCC(c3nncn3C)CC2)c(O)c1 30643426 RHPNZXQUBIOINA-UHFFFAOYSA-N 316.361 1.549 0 40 DDAB CC(=O)NCCCNC(=O)c1cc(C2CC2)nc2onc(C)c12 31243560 JTRBAEDULXGAIT-UHFFFAOYSA-N 316.361 1.665 0 40 DDAB CCc1cccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40457370 SPHTWZAWQLBHJB-ZDUSSCGKSA-N 311.403 1.273 0 40 DDAB COc1ccccc1CCNC(=O)CN1C[C@H](C)O[C@@H](C)C1 20963539 SDAJELWXXZUMGS-KBPBESRZSA-N 306.406 1.463 0 40 DDAB O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@@H]1CCCO1 52497696 GANXQQBIZKGMBT-AWEZNQCLSA-N 319.361 1.621 0 40 DDAB CN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 52529006 HKSKFYVAHXNBBN-JKSUJKDBSA-N 316.449 1.906 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(N2CCNC2=O)cc1 52749826 YLIJXGQILUMKMY-LBPRGKRZSA-N 313.361 1.231 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccccc1 487037 QMCHKXPSHHWGFX-GFCCVEGCSA-N 313.309 1.816 0 40 DDAB biogenic O=C(NCc1cnn(Cc2ccccc2)c1)NC[C@@H]1CCOC1 41332280 VHKCQMQJOUHUQF-HNNXBMFYSA-N 314.389 1.767 0 40 DDAB COC(=O)[C@@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1c(OC)cccc12 103008039 DLAIRTVEVSFSPC-BHDSKKPTSA-N 308.359 1.112 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC1(N(C)C)CCCC1 41630756 XIVJCIZJMZBKHZ-UHFFFAOYSA-N 301.412 1.444 0 40 DDAB CCOC(=O)CSCC(=O)Nc1cc(C(C)(C)C)nn1C 53355667 HYKYQLJTSLDZGF-UHFFFAOYSA-N 313.423 1.952 0 40 DDAB Cc1csc(=O)n1CCN1C(=O)N[C@@](C)(c2ccco2)C1=O 47354380 VTWIGSGZRGFCAK-AWEZNQCLSA-N 321.358 1.278 0 40 DDAB Cc1cc(C(=O)OCCCn2nc3ccccn3c2=O)c(C)o1 78823899 YYUAGEHFABLRFN-UHFFFAOYSA-N 315.329 1.953 0 40 DDAB CN1C(=O)NC(=O)[C@](C)(C2(Br)CCCCC2)C1=O 2028533 DXIVZFGPYHBOQD-NSHDSACASA-N 317.183 1.799 0 40 DDAB COc1ccc(F)cc1C(=O)NCC(=O)NCc1ccco1 23445924 PSCVMEPQDQNELO-UHFFFAOYSA-N 306.293 1.474 0 40 DDAB COc1cc(C=O)cc(Br)c1OCC(=O)N(C)C 3300896 KCSLLSVWDHNHGG-UHFFFAOYSA-N 316.151 1.737 0 40 DDAB CC(=O)N1C(=S)NC(=O)/C1=C/c1cc2ccccc2[nH]c1=O 34206423 RRZKBMJWPPLRDS-GHXNOFRVSA-N 313.338 1.132 0 40 DDAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C=O)CC1 8050687 SBXXVMWWQRIJCY-CQSZACIVSA-N 310.781 1.798 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCCCc1ccccc1 102206223 LNMLOULAJQASAY-AJNGGQMLSA-N 301.342 1.390 0 40 DDAB CN(C(=O)c1ccnc(-n2cncn2)c1)C1Cc2ccccc2C1 55628459 DFVUNCHOGZKREF-UHFFFAOYSA-N 319.368 1.902 0 40 DDAB CC(=O)c1cccc(OC[C@H](O)CN(C)CC(=O)NC(C)C)c1 25299796 KIMBCECZFQNZFV-OAHLLOKOSA-N 322.405 1.085 0 40 DDAB CNc1snc(C)c1C(=O)NCc1cccc(C(N)=O)c1 25334182 PHNVLWHKYTYIKN-UHFFFAOYSA-N 304.375 1.522 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1)OCO2 3297521 SVDZGVVVQQNIGP-UHFFFAOYSA-N 322.317 1.196 0 40 DDAB COCc1ccccc1CNC(=O)NCC(=O)NC(C)(C)C 26148216 BLJQHKJVGIKEJK-UHFFFAOYSA-N 307.394 1.547 0 40 DDAB O=C1C[C@@H](N2CC[C@]3(CCOC3)C2)C(=O)N1Cc1ccccc1 102683626 WRYZXZTUYUUWRD-QAPCUYQASA-N 314.385 1.427 0 40 DDAB Cc1noc(COC(=O)Cc2csc(N3CCCC3=O)n2)n1 25448369 QNJNFWZEZOTYGF-UHFFFAOYSA-N 322.346 1.247 0 40 DDAB CC(=O)[C@H](C)NC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O 9193571 QTHVVXLNMJMSQW-VIFPVBQESA-N 302.330 1.155 0 40 DDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ncccn2)C1 58378462 IWKULYVXRVLAFL-RYUDHWBXSA-N 306.366 1.079 0 40 DDAB COCCCNC(=O)c1snnc1-c1ccc(OC)cc1 36365153 IVYSQCCQWNRDDZ-UHFFFAOYSA-N 307.375 1.980 0 40 DDAB Cc1cnc(C(=O)N[C@]23C[C@@H]2CN(C(=O)c2ccco2)C3)cn1 106906471 WTCFLWLDIKFEIX-BZNIZROVSA-N 312.329 1.023 0 40 DDAB COc1ccccc1CNC(=O)CCCNc1ncccn1 45763894 MREHOZKZPPDOBR-UHFFFAOYSA-N 300.362 1.994 0 40 DDAB CC[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1N1CCOCC1 84735998 UVCDTPWZJLFBOK-RISCZKNCSA-N 311.813 1.851 0 40 DDAB COc1cccc([C@H](NC(=O)c2cnccn2)c2nccn2C)c1 29987217 MGWQXVFKFRARSX-HNNXBMFYSA-N 323.356 1.738 0 40 DDAB Cn1nnnc1S[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12261160 GLRLVCHTJOHNNJ-LLVKDONJSA-N 307.354 1.461 0 40 DDAB COCCN1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CC1=O 46914363 JPVDGFONOILYPV-KGLIPLIRSA-N 322.430 1.907 0 40 DDAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(N)=O 4062463 WSPDFLABOCRVRX-WBAXXEDZSA-N 318.417 1.849 0 40 DDAB biogenic COc1cccc(CNC(=O)Cn2cnc3ccccc3c2=O)c1 6086834 IJELYUHIWDRUDP-UHFFFAOYSA-N 323.352 1.722 0 40 DDAB Cc1nc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c(C)s1 179305773 XZXWRPZKSCEXIJ-UHFFFAOYSA-N 323.422 1.870 0 40 DDAB O=C1Nc2ccccc2[C@]12CC(c1ccc3c(c1)OCO3)=NN2 9302833 HFYDIRRRPIWQAG-QGZVFWFLSA-N 307.309 1.960 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2C 4346635 IGPFKVFPEOWTRJ-CQSZACIVSA-N 301.346 1.125 0 40 DDAB O=C(CSc1nccc(=O)[nH]1)Nc1cc(Cl)ccc1O 5238150 VFZYTOFTGSXJND-UHFFFAOYSA-N 311.750 1.860 0 40 DDAB CC(C)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 65449733 YBVVZBAQGIEJRG-UHFFFAOYSA-N 314.393 1.825 0 40 DDAB CC(C)[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1cccs1 65488226 VLLBKUACOIEFMO-ZDUSSCGKSA-N 321.406 1.949 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccsc2)cc1 14244277 FDDLVUWDZSOUAO-UHFFFAOYSA-N 304.327 1.643 0 40 DDAB OCCOCCNc1nc2sc3c(c2c2ncnn12)CCC3 5556369 WSUDMRSNWGWBNG-UHFFFAOYSA-N 319.390 1.249 0 40 DDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2ccoc2)nn1 66538692 HDRHRQUVMURTCW-OLZOCXBDSA-N 319.317 1.998 0 40 DDAB CCN1C[C@H](C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1=O 66693576 SZDHFQLNUQCRQV-UKRRQHHQSA-N 320.364 1.594 0 40 DDAB Cc1cc(N2CC[C@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1 90170887 YWLRFEYIRQGXSG-STQMWFEESA-N 320.437 1.770 0 40 DDAB C[C@H](NC(=O)NCc1ncnn1C)c1cc(F)c(F)c(F)c1 96440041 LXTKEOUCPKTQRB-ZETCQYMHSA-N 313.283 1.793 0 40 DDAB CCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941102 NMDAXGBWVLRRJW-SECBINFHSA-N 304.799 1.631 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 71871477 BSXDZHYQYFEFMA-CYBMUJFWSA-N 308.397 1.628 0 40 DDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCCC1 95949458 LNSZZBZCEUYZNG-CQSZACIVSA-N 303.341 1.527 0 40 DDAB CC(=O)N(C)CC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984645 RTSUDVDWKUMPFJ-DZGCQCFKSA-N 310.781 1.765 0 40 DDAB CCOc1ccccc1OS(=O)(=O)c1ccc(C(N)=O)cc1 16727153 QQNKVBMEDFCKRJ-UHFFFAOYSA-N 321.354 1.952 0 40 DDAB CN1CCN(C[C@@H](NC(=O)NC2CC2)c2ccccc2)CC1 69222781 QYCYVIYFZQQXPA-MRXNPFEDSA-N 302.422 1.437 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC[C@@H]2C(=O)O 91303013 RMPMTTNDESLAKQ-SNVBAGLBSA-N 312.366 1.224 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2cc(C)ccc2OC)CC1 70004944 LIOXYDLCMCFWDH-INIZCTEOSA-N 320.433 1.461 0 40 DDAB Cn1cc(CN2CCCN(C(=O)CCc3ccco3)CC2)cn1 69443482 OITYXFBJEQGBGR-UHFFFAOYSA-N 316.405 1.680 0 40 DDAB CCN(Cc1cccc2c1OCO2)C(=O)CCCn1cncn1 69593210 VMDVFZWPDQLPOD-UHFFFAOYSA-N 316.361 1.836 0 40 DDAB COC(=O)c1cc(NCC(=O)NC(N)=O)cc(C(F)(F)F)c1 69508488 WAESWHMXLURBGP-UHFFFAOYSA-N 319.239 1.099 0 40 DDAB CN(C)C[C@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 69537702 YAWYNFDZPPJJJD-OAHLLOKOSA-N 314.393 1.219 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCCc2ccccc21 69629042 SYFOMRLHMUOLQV-UKRRQHHQSA-N 322.430 1.940 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)C1CCCC1 69660359 PVMDEYYTSIZLGX-CVEARBPZSA-N 318.421 1.742 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1cccc(Cl)c1 20556536 UPWDXSFQICEWDP-UHFFFAOYSA-N 306.705 1.839 0 40 DDAB COC(=O)[C@H](c1ccccc1C)N1CCC[C@H](CC(N)=O)C1 97094872 JULNUSCBUSORAY-CJNGLKHVSA-N 304.390 1.797 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)c3ccsc3)CCO2)n1 72299546 APXUMQGYHIKYIF-BXKDBHETSA-N 306.391 1.878 0 40 DDAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCO1 72278017 NEIJWHKTCZLNPW-UONOGXRCSA-N 309.410 1.352 0 40 DDAB Cn1cncc1CN1CCO[C@@H]2[C@H](Cn3ccnc3)CC[C@H]21 306144858 ZQONSCPOQSCEHM-NUEKZKHPSA-N 301.394 1.296 0 40 DDAB CC(C)c1nc([C@H]2CCCN2C(=O)c2nccnc2N)no1 72299666 ZKBSFUTWJXZHQW-SECBINFHSA-N 302.338 1.543 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1 97146966 IQAZIDFBIRGXBR-LBPRGKRZSA-N 307.712 1.831 0 40 DDAB COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)on1 97141920 DEILFULFLYSVKT-WFASDCNBSA-N 319.336 1.998 0 40 DDAB CN1CCC[C@@H](N2CCN(C(=O)CC3(O)CCCCC3)CC2)C1 73729040 PLRCSBIPBNSKTC-MRXNPFEDSA-N 323.481 1.310 0 40 DDAB CCOC(=O)CN(Cc1ccc(C)cc1)C(=O)Cn1c(C)c(C)sc1=O 97372954 XMOSHEZRFYPWMR-UHFFFAOYSA-N 376.478 2.427 0 40 DDAB Cn1c(CO)nnc1Sc1nc(C2CC2)nc2c1CCC2 95980577 CUVXYXHOHGJXNI-UHFFFAOYSA-N 303.391 1.615 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN(CCOc3ccccc3)C2)C1=O 84597363 MVMJOJYMGYHKBH-QGZVFWFLSA-N 317.389 1.470 0 40 DDAB O=C1NC[C@@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1 89779375 KOFYLNDOSXDKLJ-LBPRGKRZSA-N 316.292 1.633 0 40 DDAB O=C(N[C@H]1CCc2[nH]ncc2C1)c1ccc(-n2ccnn2)cc1 89827404 HCRRDTLGYOWJPL-ZDUSSCGKSA-N 308.345 1.278 0 40 DDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccon3)C2)C1=O 89869812 YZZIACCBWUUUNF-LRDDRELGSA-N 320.393 1.606 0 40 DDAB Cn1ccnc1N1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 89926776 RMLBITHRYKMIAJ-HNNXBMFYSA-N 320.824 1.929 0 40 DDAB Cc1cc([C@H]2CCCN(CCCS(=O)(=O)N(C)C)C2)n[nH]1 76059715 QKSGLNFMEJVBQV-ZDUSSCGKSA-N 314.455 1.179 0 40 DDAB CC(C)N1CN(N2CCN(C)CC2)c2nc3ccccc3n2C1 20637209 BKPILZROGZQAIK-UHFFFAOYSA-N 314.437 1.644 0 40 DDAB CN(C)/C(CN1CCOCC1)=C1\N=C(c2ccccc2)OC1=O 20445562 NMBLCVBREMVLJS-PFONDFGASA-N 315.373 1.095 0 40 DDAB NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 4770559 OVTYKIUGSFYWRG-PVAVHDDUSA-N 306.381 1.979 0 40 DDAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1ccc2c(c1)OCO2 61720324 JTUBYAVSHYHCFG-NSHDSACASA-N 319.342 1.058 0 40 DDAB Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)ncc1C(N)=O 72356017 RFWWNHNFQWMUAI-CQSZACIVSA-N 311.389 1.659 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc3nccnc3c1)CC2 72389563 BBKVEESELFEFQP-UHFFFAOYSA-N 307.357 1.580 0 40 DDAB CCN1CCC[C@@](O)(CN2CCN(c3ccccn3)CC2)C1 46087880 GTOIIZGEQZWFKW-KRWDZBQOSA-N 304.438 1.050 0 40 DDAB COc1ccccc1C1=NO[C@](C)(C(=O)NC[C@@H]2CCCO2)C1 222284452 ZQJYJZBAPQEICJ-SJCJKPOMSA-N 318.373 1.874 0 40 DDAB O=C(NC1CCCCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85466834 VOJXFQSMSPTOAL-OAHLLOKOSA-N 321.421 1.973 0 40 DDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncccn2)C1 45141666 JGRPBMWDMFAQSD-CABCVRRESA-N 317.437 1.294 0 40 DDAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCC(O)CC2)C1 222284170 MOZQADQIYPOORR-KRWDZBQOSA-N 318.373 1.562 0 40 DDAB CC[C@@H](C)NC(=O)Cn1cc(COc2ccccc2OC)nn1 227160344 YDEMLALMPIGMDH-GFCCVEGCSA-N 318.377 1.780 0 40 DDAB COc1ccsc1S(=O)(=O)NC[C@@H](N)c1ccccc1 95432055 OOUXITAFXXCWTG-LLVKDONJSA-N 312.416 1.735 0 40 DDAB Cn1cc(-c2cccc(C(=O)OCCN3CCCC3=O)c2)cn1 96441946 UMHBOVZIGYJHDK-UHFFFAOYSA-N 313.357 1.866 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 96219447 NGUNCXBJDSKYHW-SWLSCSKDSA-N 305.382 1.240 0 40 DDAB CC[C@@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C[C@H](C)O1 230086067 MZUBPBKZLOZVMX-NWANDNLSSA-N 323.441 1.232 0 40 DDAB CCN1CCN(C)C2(CCN(Cc3ccncc3)CC2)C1=O 96230031 KGSRVZAFJZXLRP-UHFFFAOYSA-N 302.422 1.210 0 40 DDAB O=C(c1ncccc1O)N1CCN(c2nc3ccccc3[nH]2)CC1 97102518 WADCQYZDYAVMHZ-UHFFFAOYSA-N 323.356 1.626 0 40 DDAB CCN1CCC[C@H]1CNS(=O)(=O)c1cn(C(C)C)cn1 97102320 LGFQLUZOTAFPTO-LBPRGKRZSA-N 300.428 1.227 0 40 DDAB O=C([C@@H]1CCOC1)N1CC[C@]2(CCN(c3ccsc3)C2=O)C1 96159546 ICJRKGSYUTXQIB-WBMJQRKESA-N 320.414 1.740 0 40 DDAB Cn1cnc(-c2cc(C(=O)N3CCOCC3)c3ccccn23)c1 96154893 YUDPOXSAQXWIOM-UHFFFAOYSA-N 310.357 1.812 0 40 DDAB Cc1cc(CN2CC[C@@]3(C[C@H](NC(=O)N(C)C)CCO3)C2)no1 96205913 JZLWFCDKKAFFIP-CZUORRHYSA-N 322.409 1.378 0 40 DDAB Cn1nccc1C(=O)N1CC2(C[C@@H](OCC3CC3)CCO2)C1 248061784 UYMQFFLYQPINQC-ZDUSSCGKSA-N 305.378 1.220 0 40 DDAB Cn1cnc2c(N3CCN(CC(F)(F)F)CC3)ncnc21 624498104 WPLLWLBOPHTGJF-UHFFFAOYSA-N 300.288 1.048 0 40 DDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cc(C)on1)C2 247887866 FCHPUEQCNLHHHV-GFCCVEGCSA-N 314.407 1.009 0 40 DDAB CCCCNC(=O)Cn1cc(COc2cccc(F)c2)nn1 252484713 GFHKUAOLGWQSGR-UHFFFAOYSA-N 306.341 1.913 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257211275 BYGCGWLBUHKSFR-AWEZNQCLSA-N 314.393 1.764 0 40 DDAB Cc1cc2nc([C@@H]3CCCCN3S(C)(=O)=O)cc(O)n2n1 257201644 AIKUETXCOIWRRT-NSHDSACASA-N 310.379 1.230 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257209690 BRMPYRXZDCXWRE-LBPRGKRZSA-N 323.422 1.095 0 40 DDAB Cc1nc(=O)n(C(C)C)c(=O)n1NC(=O)Oc1ccccc1 255189126 NXLQHEAGJHWWLU-UHFFFAOYSA-N 304.306 1.037 0 40 DDAB CC(=O)N1CCC[C@H]1c1cncc(CN2CCSCC2)n1 257228487 FUBSSNRKOFDZJR-HNNXBMFYSA-N 306.435 1.709 0 40 DDAB Cc1cc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)no1 257227855 FRFWGPYOMHJXKA-HOTGVXAUSA-N 313.357 1.599 0 40 DDAB O=C(Cc1cccnc1)NCc1ccnc(N2CCCC2=O)c1 575609410 XCGXGLIZPOUBOY-UHFFFAOYSA-N 310.357 1.462 0 40 DDAB CCOC(=O)C[C@H]1C(=O)NC(=O)c2ccc(Br)n21 575410728 CNXYYPLEGVUEQV-ZETCQYMHSA-N 315.123 1.015 0 40 DDAB O=C(NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O)c1ncc[nH]1 585285945 UQQYARYMRFIFAQ-LERXQTSPSA-N 319.336 1.497 0 40 DDAB OC[C@@]1(Cc2ccc(Cl)cc2)CN(c2ncccn2)CCO1 585276577 PXSGDPFYGRYNGP-MRXNPFEDSA-N 319.792 1.940 0 40 DDAB CO[C@]1(COc2ccc(C)cc2)CCCN(S(C)(=O)=O)C1 585275174 YVAUQATXPMYKPH-OAHLLOKOSA-N 313.419 1.814 0 40 DDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCCc1cccc(F)c1 585280602 LJWGLKXOEFQIJF-KRWDZBQOSA-N 322.380 1.248 0 40 DDAB CCCN(CC(F)(F)F)C(=O)CCC(=O)N1CCOCC1 69455766 YJBMKSQIGLBUML-UHFFFAOYSA-N 310.316 1.426 0 40 DDAB CCCNC(=O)CCNC(=O)Cc1nc(-c2ccco2)oc1C 69486117 ARBZLNAPSFGXRM-UHFFFAOYSA-N 319.361 1.818 0 40 DDAB Cc1ccc(CN(C)C(=O)CN2CCc3cncnc3C2)o1 69565013 RNJKSKNZFWABCG-UHFFFAOYSA-N 300.362 1.395 0 40 DDAB COc1ccc(CNC(=O)NCC2(O)CCOCC2)cc1OC 70639090 KHEKGYVXTBLHTB-UHFFFAOYSA-N 324.377 1.045 0 40 DDAB O=C(NCc1ccc(F)cc1)N1CCCN([C@H]2CCOC2)CC1 1565523131 ZJXHKLZYHZSVEE-INIZCTEOSA-N 321.396 1.832 0 40 DDAB Cc1noc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)n1 75603736 DZVNLDRVYBYGCW-ZDUSSCGKSA-N 322.434 1.945 0 40 DDAB COC(=O)C[C@@H]1CN(Cc2cn3c(C)cccc3n2)CCO1 84230529 KHDMAUKRLIAMMY-CQSZACIVSA-N 303.362 1.407 0 40 DDAB CN(C)C1CN(C(=O)Nc2nc(-c3cccnc3)cs2)C1 95462314 FWULBLXIVKQKQX-UHFFFAOYSA-N 303.391 1.983 0 40 DDAB O=C(NCCc1nccn1Cc1ccccc1)c1ccc(=O)[nH]c1 42652721 AGQWDTRZRBCPLA-UHFFFAOYSA-N 322.368 1.592 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1 3068992 IJIKAGKSXJUBSS-AWEZNQCLSA-N 324.446 1.920 0 40 DDAB CC(=O)N1CCC(N2CC[C@H](O)[C@H](Cc3ccccc3)C2)CC1 1615189971 BGERXWVMUMOKEX-MJGOQNOKSA-N 316.445 1.923 0 40 DDAB CCOCC(=O)N1CCO[C@@](CO)(Cc2ccccc2C)C1 1615142272 BDGHLKYXKYYVLB-KRWDZBQOSA-N 307.390 1.164 0 40 DDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 5700875 KZUODDHFEGWSGU-GWCFXTLKSA-N 322.336 1.422 0 40 DDAB CS(=O)(=O)n1c([C@H](O)c2ccccc2)nc2ccccc21 5424938 SJCNHXBXBIVTGE-CQSZACIVSA-N 302.355 1.926 0 40 DDAB C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 5507703 BLARDQZXECGSBZ-SNVBAGLBSA-N 304.346 1.846 0 40 DDAB CCOC(=O)Cn1nc(CC)n2c(cc3oc(C)cc32)c1=O 12115516 ABAAFHKWXQEGKJ-UHFFFAOYSA-N 303.318 1.676 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCn2cccc2[C@@H]1C(C)C 12239336 YLWBWEJGMRJKDK-HNNXBMFYSA-N 322.434 1.932 0 40 DDAB O=C(COCC(=O)N1CCCCCC1)NCc1ccccc1 13942254 CXVNDNFEXWZNBW-UHFFFAOYSA-N 304.390 1.722 0 40 DDAB O=C(CCn1cnnn1)NCC1(c2cccc(F)c2)CCCC1 19293644 DYLSVFAHRVQVEC-UHFFFAOYSA-N 317.368 1.831 0 40 DDAB CCC[C@@H]1CN(C(=O)Nc2cnn(C)c2)CCN1CCOC 157115660 DUECUPKWKQZKCF-CQSZACIVSA-N 309.414 1.385 0 40 DDAB COc1cccc(/C=C(/C#N)C(=O)NC(N)=O)c1OC(C)C 6345618 FNKYXWZLGZSFRC-XFFZJAGNSA-N 303.318 1.584 0 40 DDAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc[nH]1)C2 1565547290 NIKUZPCZGFBRMA-WBVHZDCISA-N 306.406 1.991 0 40 DDAB CCCCCn1c(NCCCOC)nc2c1c(=O)[nH]c(=O)n2C 2716145 LCBIELIHMJEJOP-UHFFFAOYSA-N 323.397 1.062 0 40 DDAB CCOc1ccc(-c2cc(=O)n(CC(=O)NC3CC3)cn2)cc1 13809410 HYWHQUDDJSZGKC-UHFFFAOYSA-N 313.357 1.588 0 40 DDAB Cc1ccc(C(=O)N2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)cn1 2055771607 LPKWUAGSFWEQMM-HOCLYGCPSA-N 322.368 1.520 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)C(C)(C)C)C[C@@H]3C2=O)cs1 2055772464 LFZPIXGTCGLRJN-YPMHNXCESA-N 321.446 1.914 0 40 DDAB CCN(CC)C(=O)Cn1nc(C)c2cnn(C(C)(C)C)c2c1=O 36665655 LZXICSXHFJCUJA-UHFFFAOYSA-N 319.409 1.525 0 40 DDAB CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCOC3)n2)cn1 225816638 JYZLVLLIZHRRJF-NSHDSACASA-N 318.333 1.183 0 40 DDAB COc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 42382591 FZXICYQLVUNZDB-OAHLLOKOSA-N 316.401 1.960 0 40 DDAB COCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cn1 40512050 KYLURZXCGZUDBD-GFCCVEGCSA-N 321.377 1.302 0 40 DDAB CCc1nc(C)c2c(C)c(C(=O)NCCCC(N)=O)sc2n1 40523784 KXWWEVJTJQBVBQ-UHFFFAOYSA-N 320.418 1.866 0 40 DDAB Cc1nc(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cs1 101345076 QRNKWXWQKUHOMI-UHFFFAOYSA-N 323.403 1.018 0 40 DDAB COCCCNC(=O)CC[C@@H]1NC(=O)c2ccccc2N=C1O 32124449 QDFGLXJHMQHONM-ZDUSSCGKSA-N 319.361 1.320 0 40 DDAB biogenic CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2cccnc2)CC1 32207712 BPOIUEVXBMSRFA-CQSZACIVSA-N 307.394 1.668 0 40 DDAB in-vitro CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C(N)=O)C1 41131740 OJEHSIJKNVCKOQ-SNVBAGLBSA-N 310.781 1.831 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NOCc1ccccc1 102908952 MJDAQRNEENJXJR-KBPBESRZSA-N 316.357 1.410 0 40 DDAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)c(OC)c1 33451376 JKYGMDUKSQHRGS-CFNZNRNTSA-N 305.330 1.793 0 40 DDAB NC(=O)[C@@H](NC(=O)CSc1ccncc1)c1ccccc1 41866422 JJUPLAHBJCJXPY-AWEZNQCLSA-N 301.371 1.517 0 40 DDAB C[C@H](Cn1cccn1)Nc1ccc2nnc(C(F)(F)F)n2n1 42106299 SUYIDDXTSDJFGH-MRVPVSSYSA-N 311.271 1.840 0 40 DDAB CC(C)(C)n1nc(C(=O)N2CC[C@H](C(N)=O)C2)cc1C1CC1 53895069 LQXGMOIBUKISGH-NSHDSACASA-N 304.394 1.463 0 40 DDAB CCOc1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1 418533 USRNJLJHERZDJW-UHFFFAOYSA-N 315.377 1.798 0 40 DDAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ncnn1C 97161757 AKMVNYKSNODWPK-SECBINFHSA-N 305.386 1.958 0 40 DDAB O=C1C(=O)N(CCN2C(=O)C(=O)c3ccccc32)c2ccccc21 3130265 ZICIZFBOAQLOTF-UHFFFAOYSA-N 320.304 1.445 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)/C=C/C2CC2)c1 78932241 MZEKOEORJWAMJY-BQYQJAHWSA-N 322.430 1.664 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NC1CCSCC1)CS2 95393562 BTIHEFRJUFJBKI-GXFFZTMASA-N 300.449 1.452 0 40 DDAB O=C(CCNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2 3446864 IHHTWPGJAZLHFZ-UHFFFAOYSA-N 316.313 1.445 0 40 DDAB O=C(CNc1cccc(OC(F)(F)F)c1)N1CCNC1=O 24369300 VBEUAXVLCGABJI-UHFFFAOYSA-N 303.240 1.549 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24801031 IWYJROWUGFZAFR-ZYHUDNBSSA-N 315.366 1.239 0 40 DDAB COc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)c(C)c1 55545984 FRJQYEPAZYVKHW-UHFFFAOYSA-N 322.390 1.716 0 40 DDAB CCOCC(=O)OCc1ccc(COC(=O)COCC)cc1 3240331 LMCCFJIHFULURG-UHFFFAOYSA-N 310.346 1.846 0 40 DDAB Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 106838842 YWKLNGWGLXIPCJ-STQMWFEESA-N 309.435 1.719 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 56097728 FTTRONTXHUJQDX-NXEZZACHSA-N 300.362 1.670 0 40 DDAB CCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 58439669 RYROZVJZAKPJJU-LBPRGKRZSA-N 320.389 1.925 0 40 DDAB Cc1csc(NC(=O)CN2CCN(c3nccs3)CC2)n1 26911094 SSKQHEPDLAGCAS-UHFFFAOYSA-N 323.447 1.669 0 40 DDAB CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 57983194 SFPYUJIXWBACKN-NSHDSACASA-N 319.361 1.795 0 40 DDAB COCC(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 27386332 YGWNFTXBWSKEPT-UHFFFAOYSA-N 315.354 1.842 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCc2ccccc21 48278928 HFPDUIRARUCKLT-TZMCWYRMSA-N 308.403 1.550 0 40 DDAB CCOc1ccccc1C(=O)NCCCCN1CCOCC1 48285059 WENDJKLOAFIMLF-UHFFFAOYSA-N 306.406 1.928 0 40 DDAB O=C(NCc1nccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 44895327 GGTSJCLQAOAPDY-GFCCVEGCSA-N 319.386 1.221 0 40 DDAB COc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cn1 10262156 PTTNMERGDUEBBP-UHFFFAOYSA-N 319.390 1.901 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1ccc(-n3ccnc3)cc1)CC2 72302310 LYPVJCIKZAVYJC-UHFFFAOYSA-N 321.384 1.524 0 40 DDAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)CCNC(=O)C(C)(C)C 58230917 GKZGWZZOWRQFPF-KBPBESRZSA-N 311.470 1.918 0 40 DDAB CCCCN(C)S(=O)(=O)NC[C@@H](c1ccco1)N(C)C 58266175 IMVFAGFVLQFLKP-LBPRGKRZSA-N 303.428 1.449 0 40 DDAB C[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCO1 44951909 HDXACHHLFVOTJE-AAEUAGOBSA-N 301.350 1.956 0 40 DDAB Cn1ncc2c(NC3CCN(Cc4ccncc4)CC3)ncnc21 44976873 PIWZCRACZVDJKK-UHFFFAOYSA-N 323.404 1.835 0 40 DDAB CN(C)CCn1ccc(NC(=O)NC[C@]2(C)CCCS2)n1 84673480 GSHASYNWDGQPLO-AWEZNQCLSA-N 311.455 1.852 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100172052 PYZSZRYMHULCTF-BJDJZHNGSA-N 320.142 1.892 0 40 DDAB Cc1cc(NCCC(=O)N(C)Cc2ccccc2)n2ncnc2n1 58419371 BQTSPCBRRYLIQG-UHFFFAOYSA-N 324.388 1.893 0 40 DDAB CN1CCO[C@H](C(=O)N(Cc2cccnc2)Cc2ccco2)C1 95441439 SPVUJZUOVHKHMV-INIZCTEOSA-N 315.373 1.534 0 40 DDAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@@H](O)c1ccccc1 95438661 AVLCSWMKNMPRAJ-KGLIPLIRSA-N 320.320 1.192 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 3361620 NOLNLYMZHARKJM-CYBMUJFWSA-N 303.362 1.900 0 40 DDAB CCN1C[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 46161888 YLTXHVZFCACWAK-YPMHNXCESA-N 318.373 1.503 0 40 DDAB O=C(NC1CCC(O)CC1)c1cnn(CCN2CCCCC2)c1 72794290 YOPDWJBVVWIFKP-UHFFFAOYSA-N 320.437 1.402 0 40 DDAB Nn1c(SCc2ccco2)nnc(Nc2nccs2)c1=O 28536372 ZMKQMMPUTAHEKV-UHFFFAOYSA-N 322.375 1.438 0 40 DDAB COc1cc(F)cc(S(=O)(=O)N(C)CCCC(=O)O)c1 95467493 BMGGILFBBLVDGY-UHFFFAOYSA-N 305.327 1.320 0 40 DDAB COc1ncccc1NC(=O)NC1CCN(C(=O)C2CC2)CC1 48415379 VYZHVWYJKGJYBA-UHFFFAOYSA-N 318.377 1.613 0 40 DDAB CC(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 49592445 JPCWWSQKAXHTAN-LBPRGKRZSA-N 300.362 1.962 0 40 DDAB COC(=O)c1ccc(CS(=O)(=O)NC[C@@H]2CCCO2)cc1 20481474 YPRCNSMNLZMLFM-ZDUSSCGKSA-N 313.375 1.072 0 40 DDAB COc1cccc2c1N(C(=O)N[C@@H]1CCCCNC1=O)CCC2 65412438 VRGSHTMGERNMKY-CYBMUJFWSA-N 317.389 1.826 0 40 DDAB COC(=O)c1sccc1NC(=O)N1CCN(C(C)=O)CC1 24949352 JHPMYOMQMJDERK-UHFFFAOYSA-N 311.363 1.231 0 40 DDAB CC(C)=CCOc1cccc(C(=O)NC[C@]2(O)CCOC2)c1 95438454 VLIGYEITMDSMIU-QGZVFWFLSA-N 305.374 1.913 0 40 DDAB O=C(CCC(=O)N1CCOc2ccccc21)NCC(F)(F)F 65535845 WSSQLPCIUCLJSP-UHFFFAOYSA-N 316.279 1.871 0 40 DDAB CCOc1cccc(N2CCN(C(=O)c3cn(C)cn3)CC2)n1 179349823 PXSAJFKENCJPAI-UHFFFAOYSA-N 315.377 1.176 0 40 DDAB CN1C(=O)NC2(CCN(c3nc4ccccc4o3)CC2)C1=O 95452431 WLUSZFCOYQFSLB-UHFFFAOYSA-N 300.318 1.348 0 40 DDAB CC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc2c1=O 6671904 KCBCOQJHJPGWFB-LBPRGKRZSA-N 300.362 1.583 0 40 DDAB CCc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 96410737 FCHBHRGTXWSFQW-OAHLLOKOSA-N 303.406 1.644 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccco3)CC2)cn1 71830446 DKXRWLIHGBJROU-CVEARBPZSA-N 314.389 1.461 0 40 DDAB O=C(CN(Cc1ccco1)Cc1cccs1)N1CCNC1=O 7580967 PJDMZYUPCRSQFN-UHFFFAOYSA-N 319.386 1.895 0 40 DDAB CN(CCNC(=O)NCc1nccs1)C(=O)OC(C)(C)C 71803923 QWNBFIKZBWMOQV-UHFFFAOYSA-N 314.411 1.809 0 40 DDAB CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCNC(=O)C2)cc1 7844023 AOIVSIZEFRKEKC-AWEZNQCLSA-N 317.433 1.494 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)cc(C)c1C 16490369 VXTNQSPQFNKBEU-UHFFFAOYSA-N 323.374 1.760 0 40 DDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cccnc1 71913574 SELRYVYWYUYBEQ-HNNXBMFYSA-N 306.410 1.334 0 40 DDAB Cc1c(O)ccc2c(Cn3cnnc3[S@@](C)=O)cc(=O)oc12 70037588 USHZWZRYADBPLP-QFIPXVFZSA-N 319.342 1.184 0 40 DDAB c1cnc(-n2ccnc2)c(CNC[C@@H]2CNc3ccnn3C2)c1 69443046 KBURKWALLVSOQL-CYBMUJFWSA-N 309.377 1.295 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2nc(C3CC3)no2)n1 69519420 IZAVWZHQELMWHC-CYBMUJFWSA-N 302.382 1.820 0 40 DDAB C[C@@H]1COCCN1S(=O)(=O)Cc1cc(-c2ccccc2)no1 69699258 ISXCLRZWNGYQHB-GFCCVEGCSA-N 322.386 1.892 0 40 DDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 8502589 HHVVALWGLRSTPO-KRWDZBQOSA-N 317.389 1.758 0 40 DDAB Cc1nc(CNC2CCN(S(=O)(=O)C3CC3)CC2)cs1 84961723 GPNIJJWZGAXUFK-UHFFFAOYSA-N 315.464 1.498 0 40 DDAB CC(C)(O)CN1CCN(C(=O)COCCc2ccccc2)CC1 69745073 LBIYVDRISIVGSJ-UHFFFAOYSA-N 320.433 1.161 0 40 DDAB CC(C)(C)c1nc(CN2CCn3c(nnc3C3CC3)C2)no1 72268418 CIUUCPWRCJEIPV-UHFFFAOYSA-N 302.382 1.852 0 40 DDAB COc1cccc(CN2CCO[C@@H](Cn3nc(C)nc3C)C2)c1 72267576 JZGZQDIMVOWQHG-QGZVFWFLSA-N 316.405 1.805 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCC[C@@H](n2cccn2)C1 75126825 YLBNIJJJCLBHIE-CYBMUJFWSA-N 310.361 1.712 0 40 DDAB COCc1ccccc1C(=O)N1CCO[C@@H](CC(=O)OC)C1 75104474 XIFQOULFCUWDRV-ZDUSSCGKSA-N 307.346 1.237 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(C(N)=O)cs2)c(=O)[nH]1 75122292 PSSNRAZSCWKBDY-UHFFFAOYSA-N 305.359 1.082 0 40 DDAB COCCc1nsc(N2CCC(O)(C(F)(F)F)CC2)n1 89637609 OZGWMVOVZQJXCS-UHFFFAOYSA-N 311.329 1.621 0 40 DDAB CCOc1cc2c(cc1CNC(=O)N(CC)CCO)O[C@@H](C)C2 89969216 OXFWQUALZPIAFZ-LBPRGKRZSA-N 322.405 1.933 0 40 DDAB Cc1cnc(CNC(=O)NCc2cccnc2N(C)C)s1 76085357 YQFKJOVCPQZRAZ-UHFFFAOYSA-N 305.407 1.912 0 40 DDAB Cc1nc(CN2CCCC[C@H]2CS(N)(=O)=O)c(C)s1 1548451811 GZUHMLGNFNNCDJ-NSHDSACASA-N 303.453 1.403 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 28577696 ZYYMQCWTXYXUBF-NXEZZACHSA-N 301.412 1.318 0 40 DDAB COc1cccc(CNC(=O)N2CCC(CC(N)=O)CC2)c1 43066662 DULRPRIRNYWULV-UHFFFAOYSA-N 305.378 1.492 0 40 DDAB CC(C)[C@H](NC(=O)[C@H](C)n1cnnn1)c1nc2ccccc2[nH]1 524733416 PWOWVKLENWHWHW-GWCFXTLKSA-N 313.365 1.624 0 40 DDAB CCOC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccccc1 218018551 DQVZOIUVYODZLZ-OBJOEFQTSA-N 313.444 1.506 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)CO 218413075 GGJUAAZIIXMRGQ-FRRDWIJNSA-N 303.811 1.178 0 40 DDAB C[C@@H]1CN(CCSc2nc3ccccc3c(=O)n2C)CCO1 188232095 SDRCTRHGPRDFTQ-GFCCVEGCSA-N 319.430 1.746 0 40 DDAB c1cncc(CN2CCN(c3cc(NC4CC4)ncn3)CC2)c1 567219925 VSSUFCPJWCLCNK-UHFFFAOYSA-N 310.405 1.768 0 40 DDAB CC(C)CNc1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)cs1 79495718 WXERRHPAKZCPLE-VIFPVBQESA-N 317.436 1.128 0 40 DDAB CNc1snc(C)c1C(=O)N[C@@H]1CCc2nc(C)cn2C1 72279158 SAMZQMOXEWTJMP-SNVBAGLBSA-N 305.407 1.743 0 40 DDAB CCOc1ccccc1N(C)Cc1cn(C)c(=O)n(C)c1=O 188692105 UFKVRQDXMIHULI-UHFFFAOYSA-N 303.362 1.119 0 40 DDAB COC(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2C)nn1 225597483 VOVIMQKXVFSLIT-LBPRGKRZSA-N 301.350 1.437 0 40 DDAB O=S(=O)(NCc1noc(-c2ccccc2)n1)c1ccco1 193705930 INQXRJMNVJEKSQ-UHFFFAOYSA-N 305.315 1.808 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccsc2)Cc2ncnn2C1 96189200 BUUHGZQUSWJZEM-LBPRGKRZSA-N 306.391 1.187 0 40 DDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1F 96413608 XSMFZKDQXWSNIX-PSLIRLAXSA-N 314.332 1.817 0 40 DDAB Cc1ncsc1CNC(=O)NCC[S@@](=O)C(C)(C)C 96408880 AWHMQWMLRQRKAQ-IBGZPJMESA-N 303.453 1.798 0 40 DDAB CN(C)C(=O)N1C[C@@H](OCc2ccccn2)[C@@H]2OCCC[C@@H]21 96058163 PLRAQXFEOAKMDS-RRFJBIMHSA-N 305.378 1.512 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(-n2cccn2)ccn1 96449513 GYWQMCNLDVQVPN-DLBZAZTESA-N 320.352 1.655 0 40 DDAB O=C(c1ccno1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072521 HBLSCGLLMVISTH-XJKSGUPXSA-N 315.329 1.522 0 40 DDAB Cc1noc(C)c1CN1C[C@H]2CN(c3ccoc3)C(=O)[C@H]2C1 96080735 CTTRDNLKFCYYDO-WFASDCNBSA-N 301.346 1.979 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)O)CN(C(=O)Cc1ccc(F)cc1)C2 96067824 NHCRALDWGULYNT-LBPRGKRZSA-N 317.320 1.312 0 40 DDAB CN(C[C@@H]1CO[C@]2(CCCN(c3cnccn3)C2)C1)C1CC1 96075664 DEUUHZDOQBKSCA-RHSMWYFYSA-N 302.422 1.946 0 40 DDAB O=C1C[C@@H](c2ccccc2)C2(CCN(C(=O)NC3CC3)CC2)N1 96199633 KVSOGNKERLGYLK-HNNXBMFYSA-N 313.401 1.997 0 40 DDAB CCN(CC)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 243561532 OMGXFFDDZSZQRU-UHFFFAOYSA-N 302.371 1.460 0 40 DDAB CCOCC(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257282044 OSCCENBGTBDOMD-WMZOPIPTSA-N 319.401 2.000 0 40 DDAB CNc1ncccc1CN1CCO[C@H](c2cc(O)nc(C)n2)C1 257206913 BFLNZXKEEOPWOC-AWEZNQCLSA-N 315.377 1.501 0 40 DDAB CCC(=O)N1CCC[C@H](c2ccnc3c(C(=O)NC)cnn23)C1 257258233 KSXJNQUBCYIJKV-NSHDSACASA-N 315.377 1.205 0 40 DDAB c1cc2n(n1)C[C@H](CN1CCCCC1)CN(C1CCOCC1)C2 253604285 XWOICDOEGFLWKG-MRXNPFEDSA-N 318.465 1.980 0 40 DDAB CCO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1cccnc1)C2 253384935 QSVQYGVZYCCYJS-NSHDSACASA-N 314.432 1.367 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257243629 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CN1C(=O)CCC[C@@H]2CN(C(=O)/C=C/c3cnn(C)c3)CC[C@H]21 585290976 YQCONZPVSMMDSE-WLBISTCBSA-N 316.405 1.293 0 40 DDAB C[C@H](NCCS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 69952015 LUNCRNXCUJKABZ-UONOGXRCSA-N 307.419 1.896 0 40 DDAB O=C(CCCNC(=O)OCc1ccccc1)NCc1cn[nH]n1 72311720 MCNJFNNKHJOYRD-UHFFFAOYSA-N 317.349 1.128 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CS(=O)(=O)C[C@H]1CCCO1 45360169 WJGHSNULFSBODN-GXTWGEPZSA-N 323.414 1.558 0 40 DDAB CC(=O)N(C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565521877 FAAQGJJDXLKTLX-UHFFFAOYSA-N 302.382 1.089 0 40 DDAB COc1ccccc1N1CCN(CCNC(=O)C2CC2)CC1 56997313 JBCKNSMJRXEIJE-UHFFFAOYSA-N 303.406 1.343 0 40 DDAB COc1cc(C[C@H]2CC(C(=O)O)=NO2)c(OC)c2c1OCO2 12418101 NGPHCSFRJLXORY-QMMMGPOBSA-N 309.274 1.205 0 40 DDAB Cc1cccc(OCc2nnc(SCC(N)=O)n2C)c1C 14126359 FNZGTRDXBBKFGU-UHFFFAOYSA-N 306.391 1.588 0 40 DDAB O=C(O)c1cccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)c1 14163583 JQBQIPGJJTZKRD-ZDUSSCGKSA-N 302.330 1.503 0 40 DDAB O=c1c2ccccc2nc(O)n1-c1ccc(Cn2cnnc2)cc1 15424767 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CN(C(=O)c1ccc2c(c1)OCO2)[C@@]1(C)CCS(=O)(=O)C1 4505105 XNOWGVCTROVGOD-AWEZNQCLSA-N 311.359 1.065 0 40 DDAB CC(C)N1CC[C@H]2C[C@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 2055729795 LGNVERZDYCXQNP-ARFHVFGLSA-N 310.438 1.417 0 40 DDAB CCOC(=O)CCC(=O)N1CC[C@@H](Oc2cc(C)nc(C)n2)C1 585147482 UKCXTXXOOZCZMN-CYBMUJFWSA-N 321.377 1.416 0 40 DDAB Cc1ncn(CC2CCN(C[C@@H]3CCCOC3)CC2)c(=O)c1C 585632587 VTHVDPNKWNHLEJ-KRWDZBQOSA-N 319.449 1.999 0 40 DDAB CSc1ncccc1C(=O)N1CC(Nc2ncccn2)C1 245187603 ZQMKYSRTKOWNNW-UHFFFAOYSA-N 301.375 1.530 0 40 DDAB C=CC(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)nc(C)n1 585292782 SFIBVSCFRJSZRR-ZDUSSCGKSA-N 310.361 2.168 0 40 DDAB C[C@H](CNC(=O)CCN1C(=O)CCC1=O)N(C)c1ccccc1 40108016 OEWKYHWSMHXPHP-CYBMUJFWSA-N 317.389 1.167 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)CCO1 30851426 RVPJGPWXSAAYPO-OAHLLOKOSA-N 300.362 1.577 0 40 DDAB Cc1cc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)on1 40497775 UACQIACYPAIODD-UHFFFAOYSA-N 308.773 1.331 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(Cl)c2c(c1)OCO2 40521480 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O=C(Cc1ccc2c(c1)CCC2)N1CCN(c2cnccn2)CC1 25833866 YBDSMBIINWRQDI-UHFFFAOYSA-N 322.412 1.857 0 40 DDAB Cc1cc(C(=O)Nc2nccs2)nc(N2CCOCC2)n1 71195515 HWAUCIYEZZWLFG-UHFFFAOYSA-N 305.363 1.330 0 40 DDAB O=C(NC[C@H]1CCOC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 78606538 MEZARCBQNKVECI-NEPJUHHUSA-N 306.337 1.331 0 40 DDAB CSCCc1[nH]nc2c1CN(c1cc(N(C)C)ncn1)CC2 23250877 CYCQBJFVPLRAEF-UHFFFAOYSA-N 318.450 1.734 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)NCCc1ccncc1 79481323 MBOXHYYDEAVBNU-UHFFFAOYSA-N 308.341 1.150 0 40 DDAB C[C@H]1Oc2ccc(NC(=O)CCn3cncn3)cc2NC1=O 23767795 GVHHTYLLFNKARF-SECBINFHSA-N 301.306 1.026 0 40 DDAB NC(=O)[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 43095400 QTVJDILZFHHWIP-CHWSQXEVSA-N 320.393 1.076 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4730988 RJMIPBRRCGHPAI-HMEQZMJYSA-N 310.353 1.741 0 40 DDAB O=C(CSc1ncn[nH]1)NCCSCc1ccccc1 6864246 AKCZMDWUXKVKEX-UHFFFAOYSA-N 308.432 1.946 0 40 DDAB CCN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 7505012 FSUZAJQSWKUGLA-UHFFFAOYSA-N 303.406 1.301 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(N2CCCC2=O)cc1 7644623 FPZULYFKLMIXQZ-NSHDSACASA-N 303.362 1.068 0 40 DDAB O=C(CN1CCCCC1)Nc1ccc(N2CCOCC2)cc1 1399162 BEIQFAACFDIQFE-UHFFFAOYSA-N 303.406 1.948 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)nn1C(C)(C)C 97197679 NBBPNIBAFPWVJX-LBPRGKRZSA-N 301.394 1.888 0 40 DDAB O=C1C[C@H](N(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C2CC2)C(=O)N1 106648343 ZGQYEEFUUXHETL-RDBSUJKOSA-N 316.332 1.335 0 40 DDAB O=C1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2)N1 95396729 NRMOQGNLVJWWQP-KFWWJZLASA-N 302.374 1.771 0 40 DDAB O=C(NCCOC(=O)c1ccc2c(c1)CCO2)c1ccncc1 56217744 HZWAYTGUAKAJHS-UHFFFAOYSA-N 312.325 1.603 0 40 DDAB CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H](C)n1cncn1 57378973 CITSOSWNANJRAK-ZDUSSCGKSA-N 315.377 1.004 0 40 DDAB Cc1cn2nc(N3CCN(c4ccncc4)CC3)sc2n1 26696509 ZABPGHDYQDMOEW-UHFFFAOYSA-N 300.391 1.821 0 40 DDAB CCOC(=O)c1ccc(OC[C@@H](O)CNCCCOC)cc1 9375940 MDPLTUDMDSNAPA-AWEZNQCLSA-N 311.378 1.229 0 40 DDAB C[C@H](CC(=O)NCCC(=O)N1CCOCC1)c1ccc(F)cc1 58202675 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Cc1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1 3561933 IIZHSLBZBPTWIM-UHFFFAOYSA-N 300.343 1.951 0 40 DDAB O=C(C1CCC1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005292 LTWGZNFEAZNPKN-AWEZNQCLSA-N 314.451 1.640 0 40 DDAB O=C(Cc1ccn[nH]1)NCCNc1cccc(Br)c1 97048691 BCSWPWVABLSLHZ-UHFFFAOYSA-N 323.194 1.943 0 40 DDAB O=C(NCc1nnc2n1CCC2)N(Cc1ccccn1)C1CC1 65422506 SWZAZDUNRUCQGL-UHFFFAOYSA-N 312.377 1.494 0 40 DDAB CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CCC(=O)N1 66946457 RWZRDAQRCOFPGE-INIZCTEOSA-N 317.433 1.288 0 40 DDAB COc1cc(C(=O)NCCNC(C)=O)ccc1OC(F)F 5938217 UODBNFCHCQRUHA-UHFFFAOYSA-N 302.277 1.163 0 40 DDAB Cc1noc(C)c1CNC(=O)N[C@H](CO)Cc1ccccc1 67757285 CMSJRONOZIISCT-AWEZNQCLSA-N 303.362 1.694 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc3ccccc23)C1 96369543 GYZOPRMSFUMDPP-SNVBAGLBSA-N 308.359 1.016 0 40 DDAB Cc1ccc(C(=O)NCCN2c3ccccc3C[C@@H]2C)c(=O)[nH]1 68293254 GVSSVLUYROFBOG-ZDUSSCGKSA-N 311.385 1.864 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 83611309 HGLNUZDSNRXWRT-OAHLLOKOSA-N 324.446 1.988 0 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1.951 0 40 DDAB C[C@H]1CN(CCc2nc(=O)c3ccccc3[nH]2)CC(C)(C)O1 71831051 GGYXVEFWHNCFAI-LBPRGKRZSA-N 301.390 1.965 0 40 DDAB CN(CC(N)=O)C(=O)c1cnc(Cc2ccc(F)cc2)s1 69703711 MBBXVRATBOZVLC-UHFFFAOYSA-N 307.350 1.430 0 40 DDAB Cc1ccc(-n2nnnc2N[C@H]2CCc3nc(C)nn3C2)cc1 69702867 TVRIFZNWYQMKTN-LBPRGKRZSA-N 310.365 1.298 0 40 DDAB CC(C)(O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 69951613 CCFBZCOIDBLXOA-UHFFFAOYSA-N 320.433 1.761 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)cn1 69968253 ZFJALDHYYFXYFQ-SNVBAGLBSA-N 304.375 1.558 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1cccnc1 69902546 FSFVZGHOGLMSOZ-CVEARBPZSA-N 316.405 1.495 0 40 DDAB COc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1O 8850835 UXRAXMBGBOCIMP-UHFFFAOYSA-N 318.304 1.908 0 40 DDAB COc1cc(C(=O)NCCCc2n[nH]c(C)n2)cc(OC)c1C 72306787 PKINNUMGKDZQSQ-UHFFFAOYSA-N 318.377 1.801 0 40 DDAB COc1ccc(F)cc1C[S@@](=O)C[C@@H](C)CS(C)(=O)=O 95410996 AJADDZMITREZNG-GIGQVBGESA-N 322.423 1.764 0 40 DDAB CC(=O)c1c(F)cccc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 95463647 CIMXTEBZWGKNOI-JTQLQIEISA-N 314.382 1.498 0 40 DDAB Cn1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)c1 95980821 PHNHSZVWFZMALR-UHFFFAOYSA-N 300.353 1.508 0 40 DDAB OCCOc1cncc(N2CCC[C@@H](Nc3ccccc3)C2)n1 95941852 MAQGFRBGPRKHRO-OAHLLOKOSA-N 314.389 1.929 0 40 DDAB CNC(=O)C1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1 95956768 MVLJGYWPCWPOQD-UHFFFAOYSA-N 322.409 1.738 0 40 DDAB CC(=O)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1 89930551 FQHBWEKIDYYEEC-UHFFFAOYSA-N 303.387 1.991 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1oc(C)nc1C)CC2 89986402 ZCKVRCBVUVKENF-OLZOCXBDSA-N 308.378 1.684 0 40 DDAB COc1ccc2c(C(=O)CN3CCC(C(N)=O)CC3)c[nH]c2c1 61931357 HXXMINPTMYXRBN-UHFFFAOYSA-N 315.373 1.557 0 40 DDAB CCN1CCN(C(=O)c2ccc(Br)c(N)c2)CC1 32227196 QJPVIXCBOKDJDH-UHFFFAOYSA-N 312.211 1.809 0 40 DDAB Cc1nccn1Cc1ccc(C(=O)NCCCN(C)C)cc1 30946695 YZKWJZISCYONRR-UHFFFAOYSA-N 300.406 1.921 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)cc1F 77940101 BMUQFWJAGRSZAM-RNCFNFMXSA-N 312.316 1.571 0 40 DDAB Nc1nc(SCc2ccccn2)nn1CC(=O)N1CCCC1 35315529 DZFIWBSAHISCQA-UHFFFAOYSA-N 318.406 1.170 0 40 DDAB CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1 669640178 FHBQHAZORCNVRJ-UHFFFAOYSA-N 301.346 1.001 0 40 DDAB Cc1c(C(=O)O)c(=NC[C@@]2(O)CCOC2)[nH]c2ccccc12 565543802 MMSWWVKFDQEMJC-INIZCTEOSA-N 302.330 1.227 0 40 DDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 33853391 BQTVUFVSWJPWQV-JDFRZJQESA-N 316.357 1.734 0 40 DDAB Cc1cc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)on1 36675789 BJPWBZKUSPYLJX-UHFFFAOYSA-N 306.347 1.286 0 40 DDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN2c2ncccn2)n1 72363406 ARITUXICCFLLOF-ZDUSSCGKSA-N 313.361 1.934 0 40 DDAB Cn1cc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cn1 73570758 LGXBQNVFTLDZQJ-UHFFFAOYSA-N 311.345 1.618 0 40 DDAB c1cn(-c2ccc(-c3nccn3CCCc3nnn[nH]3)cc2)cn1 72122315 ZIDXVKNFPRIBIL-UHFFFAOYSA-N 320.360 1.882 0 40 DDAB CN1CCC(N2CC[C@H](c3nnc(-c4cncn4C)o3)C2)CC1 49170476 IXSAPUABEWPYQV-LBPRGKRZSA-N 316.409 1.354 0 40 DDAB biogenic,in-vitro O=C(COc1ccccc1)NCc1nccc(N2CCCC2)n1 224150433 FGWOUWKWOAFXAP-UHFFFAOYSA-N 312.373 1.772 0 40 DDAB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 222324664 UPAAXCOGBXELPE-KOZAUXTDSA-N 303.289 1.021 0 40 DDAB O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc[nH]n1 96455954 KMTZGMDATALXGC-HNNXBMFYSA-N 312.373 1.373 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1)N1CCCC1 96042927 WFCLQZGZTNEYIW-HRCADAONSA-N 304.390 1.881 0 40 DDAB Cc1nc(N2CC[C@@H](S(N)(=O)=O)C2)nc(C)c1CC(C)C 96456744 DLGMZYGUMUXQRP-GFCCVEGCSA-N 312.439 1.159 0 40 DDAB COC(=O)CN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 96500941 PTKBSGDCMUTVIB-LBPRGKRZSA-N 316.279 1.351 0 40 DDAB Cc1nc(CN2CC[C@@H]3O[C@H](C(=O)NC(C)C)C[C@@H]32)cs1 96064739 QAEYTMUCTIREIW-IHRRRGAJSA-N 309.435 1.708 0 40 DDAB CC(C)n1nnnc1-c1ccc(NCC(=O)NC2CC2)cc1F 97370551 JMDLIFYMVJALMS-UHFFFAOYSA-N 318.356 1.751 0 40 DDAB Cc1ccc(CN(CCO)C(=O)N[C@@H](C)c2cnn(C)c2)cc1 96501668 RDKILGHVMSHBOG-AWEZNQCLSA-N 316.405 1.994 0 40 DDAB c1ccc(N2CCO[C@@]3(CCCN(c4nncs4)C3)C2)nc1 96226609 QSVWDOZZGQDNTP-HNNXBMFYSA-N 317.418 1.809 0 40 DDAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CCn1cncn1 97379257 CWFRJURKLWYYRE-CQSZACIVSA-N 314.389 1.913 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 96227063 SJJBRNYLOHWXDP-RHSMWYFYSA-N 316.405 1.528 0 40 DDAB COc1ccc(CCNC(=O)Cn2c(C)cc(O)cc2=O)cc1 96231051 VYQUNIGLTJHFTP-UHFFFAOYSA-N 316.357 1.230 0 40 DDAB COCC[C@H]1CO[C@]2(CCCN(C(=O)c3cncn3C)C2)C1 96073437 NTNJKZYLKDAGLO-CZUORRHYSA-N 307.394 1.468 0 40 DDAB O=C(CC1CC1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247807320 BZQLUPDYNZEAGS-INIZCTEOSA-N 323.433 1.990 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)c2cccc(O)n2)cc1 257311554 UKAGRAVCURVSMW-HNNXBMFYSA-N 313.357 1.583 0 40 DDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)Cn2cccn2)C1 257316086 VEAXDQAQKPTKPY-LSDHHAIUSA-N 304.394 1.133 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccncc2)CC1 257224701 FCXWXFZCRUDTLV-HNNXBMFYSA-N 322.430 1.297 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2cccc(C(=O)O)c2)CCO1 257201838 AJGAAESHTUTKTH-INIZCTEOSA-N 306.362 1.064 0 40 DDAB Cc1c(S(=O)(=O)N2CCCc3cccc(CN)c32)cnn1C 624390117 VPUDCAQOGOVTRS-UHFFFAOYSA-N 320.418 1.329 0 40 DDAB Cc1oncc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1 96026016 DVLFXAMOJIMZMB-UHFFFAOYSA-N 317.345 1.858 0 40 DDAB CN1CCN(CC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc21 585123558 YHEUPTHGTRLZNB-CYBMUJFWSA-N 323.824 1.891 0 40 DDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C=C/CN(C)C)C1 585289236 GLXJFUSHMXTUQX-CGMDNHBQSA-N 307.438 1.354 0 40 DDAB COC[C@@H]1CN(C)C(=O)[C@H]2CCN(C(=O)C3CC(C)C3)CC[C@@H]12 585108718 IDZLNEQUSIJISM-XJCPWDRGSA-N 322.449 1.622 0 40 DDAB Cc1cc(N(C)CC(=O)Nc2nnc(CC(C)C)s2)ncn1 585142494 XGVWTBQVKVONQU-UHFFFAOYSA-N 320.422 1.910 0 40 DDAB CCN(CC)CCN(Cc1ccccc1)C(=O)CCNC(C)=O 69385374 JVKIQUQBESFEGC-UHFFFAOYSA-N 319.449 1.883 0 40 DDAB CCOc1nnc(CN2CCN(CCOC)[C@H](CC)C2)s1 72279860 KLEDCUIWTIWDOY-GFCCVEGCSA-N 314.455 1.479 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1 72231810 SOHKCFFAGFRQSU-ZIAGYGMSSA-N 323.393 1.670 0 40 DDAB Cc1nnc(N2CCN(c3ccc(C4CC4)nn3)CC2)s1 1776008930 CCIGWJCUXJVENG-UHFFFAOYSA-N 302.407 1.841 0 40 DDAB Cc1nnc(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)s1 49365708 LHIQCZFFNHBDJG-CYBMUJFWSA-N 324.450 1.321 0 40 DDAB CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)cc1F 61976562 MOYISSLIVSAZHX-CQSZACIVSA-N 317.382 1.664 0 40 DDAB O=C(CC1(O)CCCC1)N[C@@H]1CCN(c2ccccc2F)C1=O 73613657 CHSIUKRJKTVZMV-CYBMUJFWSA-N 320.364 1.742 0 40 DDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C(N)=O)c1ccccc1 76056546 LROKYYPQDJJHBF-WQVCFCJDSA-N 315.417 1.450 0 40 DDAB Nc1c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)nnc2ccccc12 75144998 CWRKYLNBPFDNSM-UHFFFAOYSA-N 323.238 1.601 0 40 DDAB O=C(NCc1cccnn1)N[C@@H]1CCN(c2ccc(F)cc2)C1 571529183 OYWOPZNQKIIUCU-CQSZACIVSA-N 315.352 1.694 0 40 DDAB Brc1cnc(NC2CN(c3ccccn3)C2)nc1 1888843492 DGASAXNSYQGMOL-UHFFFAOYSA-N 306.167 1.935 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC(C)(C)C)n2)o1 12182945 YBTMLZVNXLRFRI-JTQLQIEISA-N 318.377 1.870 0 40 DDAB Cn1cc(CN2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)cn1 19692424 SZUJNBMQRUUGKQ-KRWDZBQOSA-N 324.388 1.779 0 40 DDAB COc1ccc([C@H](NC(=O)[C@H]2CC23CCOCC3)C(=O)O)cc1 553756724 AOBRHJNXPOWQDP-KGLIPLIRSA-N 319.357 1.754 0 40 DDAB Cc1ccccc1[C@H](CO)NC(=O)c1cc(O)nc(C2CC2)n1 564223329 ARETXOXGLVQFLX-AWEZNQCLSA-N 313.357 1.831 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccs1 3362169 CBQMZXNLHQBQAX-UHFFFAOYSA-N 310.356 1.704 0 40 DDAB Cc1ccn(CCC(=O)N2CCO[C@H](c3ccncc3)C2)n1 1848357230 DPRQHASZNKCFGN-HNNXBMFYSA-N 300.362 1.577 0 40 DDAB CNC(=O)CN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 18941151 OWMILSPRTJZZPR-UHFFFAOYSA-N 310.297 1.072 0 40 DDAB NC(=O)CCN1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 2037658312 XUVOLLFPONAFME-CQSZACIVSA-N 301.390 1.534 0 40 DDAB COCC[C@@](C)(O)CNS(=O)(=O)c1ccccc1Cl 178735795 VATXIFUXMYJKBM-GFCCVEGCSA-N 307.799 1.406 0 40 DDAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CC1 23231233 GCDGGROUGVDRIG-UHFFFAOYSA-N 303.749 1.842 0 40 DDAB Cc1noc(C2CN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n1 49482394 MAAWWSWHEGHAOK-HWKANZROSA-N 313.313 1.746 0 40 DDAB COc1cc(N2CCC[C@H](COc3cnccn3)C2)ncn1 2298188655 XEJKBXSBZPNFGH-LBPRGKRZSA-N 301.350 1.571 0 40 DDAB O=C(Cc1csc(Nc2ncccn2)n1)NCC(F)(F)F 49029432 RBNAFIPOHDMUQJ-UHFFFAOYSA-N 317.296 1.898 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N[C@H]2COc3ccccc32)c[nH]1 70529672 HIFYDVZZFPVTPS-NSHDSACASA-N 308.315 1.125 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2ccoc2)N2CCOCC2)o1 40489426 NXQNAADGGRBZPH-CQSZACIVSA-N 304.346 1.984 0 40 DDAB CN(C)c1nc(N)nc(CN2CCC(c3ccccc3)CC2)n1 40493442 WCTYIPVPCGAWGN-UHFFFAOYSA-N 312.421 1.899 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCN(c2ncccn2)CC1 20405134 HXNJTHLIHVKIGH-OAHLLOKOSA-N 314.389 1.039 0 40 DDAB CN1CCN(C(C)(C)CNC(=O)c2cc3c(s2)CCC3)CC1 40522791 NWIYNJYXCJKFQP-UHFFFAOYSA-N 321.490 1.993 0 40 DDAB CCN(CC)[C@H](C)CNS(=O)(=O)Cc1ccc(F)cc1 32068801 HMZPLXKKMRMHMK-GFCCVEGCSA-N 302.415 1.975 0 40 DDAB CN(CC(N)=O)CC(=O)NCc1ccccc1OC1CCCC1 52831940 QWNDCKNRNRDIMJ-UHFFFAOYSA-N 319.405 1.041 0 40 DDAB O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2 41630055 RHMKIKOUHPQKTP-UHFFFAOYSA-N 320.418 1.526 0 40 DDAB NC(=O)c1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1 54057439 FKXQPXPICUNQTJ-UHFFFAOYSA-N 308.813 1.899 0 40 DDAB COc1cccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)c1 416122 SCGLHTIFELAJBH-UHFFFAOYSA-N 315.377 1.607 0 40 DDAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@](O)(C(F)(F)F)C1 814213 WWXYWENATOPTMB-CMPLNLGQSA-N 302.252 1.579 0 40 DDAB CN(Cc1ccncc1)C(=O)c1cccnc1N1CCOCC1 47851051 PLNAIBHUSDEEPO-UHFFFAOYSA-N 312.373 1.585 0 40 DDAB CN1CC[C@@H](Nc2nc(-c3ccncc3)nc3c2CCC3)C1=O 78021109 IZRWFODQBFCSQD-CQSZACIVSA-N 309.373 1.670 0 40 DDAB C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)[C@H]1CCCO1 23196552 QKEGNJXWLQTWRB-QMTHXVAHSA-N 319.336 1.219 0 40 DDAB Cc1noc([C@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)n1 54341442 IEPVXWXYDCDVJE-JSGCOSHPSA-N 306.410 1.958 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1Cl 78998366 IGAXXKHYNZVHLH-GFCCVEGCSA-N 310.781 1.362 0 40 DDAB Cc1ccc([C@H](Cc2ccccc2)NC(CO)(CO)CO)cc1 1668723 JDDYFRSDPUEBLF-SFHVURJKSA-N 315.413 1.584 0 40 DDAB COc1ccccc1N(C)C(=O)CCc1c(C)nc(C)[nH]c1=O 79067322 LDYFOTYHRVQQEI-UHFFFAOYSA-N 315.373 1.991 0 40 DDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@@H]2c2ccccc2)N1 42659851 XJAOFNKUZNDTOW-QWHCGFSZSA-N 301.346 1.338 0 40 DDAB Cc1nnc(S[C@@H](C)C(=O)NC(N)=O)n1-c1ccccc1 6109399 OSEFYSSVKMHINY-QMMMGPOBSA-N 305.363 1.251 0 40 DDAB CCOC(=O)COc1cc(/C=C(/C#N)C(=O)NC)ccc1OC 6954754 VLLAUTAJYVJIKE-GHXNOFRVSA-N 318.329 1.290 0 40 DDAB CCOC(=O)C1=C(CN(CC)Cc2cccs2)NC(=O)NC1 24740439 RSXSHYMDZSNPEA-UHFFFAOYSA-N 323.418 1.700 0 40 DDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H]1CO 106772607 ICSCKJOAOKTAGS-STQMWFEESA-N 317.389 1.207 0 40 DDAB Cc1cc(CN(C)C(=O)Cn2cnc3sccc3c2=O)no1 25136898 PJLDOFBDTJGOOD-UHFFFAOYSA-N 318.358 1.413 0 40 DDAB CCN1CCC(CNC(=O)[C@H](C)NC(=O)c2cccs2)CC1 57000694 CHSCKZLYJQJERD-LBPRGKRZSA-N 323.462 1.715 0 40 DDAB Cc1cc(CN2CCN(Cc3nc(C4CC4)no3)CC2)no1 44000265 QNIUWMIYPGVPHY-UHFFFAOYSA-N 303.366 1.561 0 40 DDAB O=C(CCc1nc(-c2ccsc2)no1)NC1=NCCS1 12614972 DIOAJFNJXQOSPX-UHFFFAOYSA-N 308.388 1.950 0 40 DDAB C[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)NC(=O)CO2 27035566 JZHPHHZHCWLXSM-WDEREUQCSA-N 319.405 1.971 0 40 DDAB COc1ccccc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 10023671 HJSCPNHUHWZYSB-SNVBAGLBSA-N 315.416 1.554 0 40 DDAB CN1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H](c2ccccc2)C1 44890159 IVWCKGUFONQDCL-HNNXBMFYSA-N 314.389 1.110 0 40 DDAB COc1cccc([C@@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)c1 100594590 KBQZOQZWORZASV-OWSLCNJRSA-N 318.369 1.913 0 40 DDAB Cc1cc(CN(C)C(=O)NCc2cccnc2N(C)C)no1 44969322 DCHVZAJOOXPNHF-UHFFFAOYSA-N 303.366 1.786 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1CCOc2ccccc21 44949794 UOADEHYHIIGWTP-UKRRQHHQSA-N 319.405 1.530 0 40 DDAB O=C(CCc1ccco1)NCCS(=O)(=O)c1ccccc1 44944725 JKDREGOZDQGIGA-UHFFFAOYSA-N 307.371 1.802 0 40 DDAB COCCn1nc(C)c(CNC[C@H]2CNc3ccnn3C2)c1C 58369323 UUAOYIZVTYDJCG-AWEZNQCLSA-N 318.425 1.174 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CN(C)CC2 27988482 PSGFZVHNQDHBBI-UHFFFAOYSA-N 319.434 1.663 0 40 DDAB COc1ccccc1CCNS(=O)(=O)N1CCCC[C@H]1C 27953586 HJDNEUKBYZGNAG-CYBMUJFWSA-N 312.435 1.947 0 40 DDAB COC(=O)c1ccc(CSc2n[nH]c(=O)n2C2CC2)cc1 3301677 CNXBGDGEIUWDHQ-UHFFFAOYSA-N 305.359 1.985 0 40 DDAB Cn1c(=O)n2n(c1=O)[C@@H]1c3cc4ccccc4cc3[C@@H]2[C@H]2C=C[C@@H]21 104294041 ABQNWZCLYGDTBL-PYTWLRIVSA-N 317.348 1.810 0 40 DDAB O=c1c2cccnc2ncn1C[C@@H](O)c1ccc(F)cc1F 48367674 RLSSYAXXKDWBOR-CYBMUJFWSA-N 303.268 1.803 0 40 DDAB C[C@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CCO1 11499395 DAUQSKUOSQPZNR-ZDUSSCGKSA-N 302.374 1.603 0 40 DDAB CCc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 29108304 IGDONDWUQDCRGL-UHFFFAOYSA-N 314.389 1.972 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1ncccc1O 29758241 MFKMLHRZEQLTPS-UHFFFAOYSA-N 324.340 1.834 0 40 DDAB O=C1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)CN1C1CCCC1 46492816 XGWYKMXQJSVBEX-BPUTZDHNSA-N 320.433 1.948 0 40 DDAB C[C@@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21 89938992 CNCCDIYVTWNXGO-WBVHZDCISA-N 315.461 1.859 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCOC1 47067040 SDTRZPHCPIFBLW-CYBMUJFWSA-N 306.362 1.636 0 40 DDAB Cn1c(CNC(=O)NCc2ccco2)nc2ccccc2c1=O 96013223 QPNZYTGJSNKVGN-UHFFFAOYSA-N 312.329 1.526 0 40 DDAB 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NRRDFCNMVCAIPI-GFCCVEGCSA-N 314.349 1.354 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257331898 XUTIIXKJRWANIF-CYBMUJFWSA-N 313.361 1.211 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257232172 GJSBJAJICQOUGT-LBPRGKRZSA-N 319.386 1.695 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2c(C)noc2C)n1 257223911 DZMBFVLHQVPNRH-CYBMUJFWSA-N 304.350 1.466 0 40 DDAB Cc1cnc(C2(C)CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)s1 257223026 DVOMNKXFJMIYGB-GFCCVEGCSA-N 321.446 1.810 0 40 DDAB C[C@H](O)CN1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 85436797 WOKQXWUHSNGONK-YBJDMEARSA-N 308.809 1.878 0 40 DDAB CCC[C@H]1SCCN1C(=O)c1ccc(S(N)(=O)=O)cc1 281608159 OWVCQYBUAXWPBQ-GFCCVEGCSA-N 314.432 1.649 0 40 DDAB COc1cc(C(=O)O)c(F)cc1NS(=O)(=O)C[C@@H](C)OC 282110549 AFKVIYOZRWJBIX-SSDOTTSWSA-N 321.326 1.309 0 40 DDAB Cc1noc(C)c1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1 96123255 YWCCCHYNCXXOIQ-NSHDSACASA-N 312.351 1.250 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406498 XZOBRPBYNDOYAE-HZSPNIEDSA-N 302.374 1.876 0 40 DDAB COCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575403973 JXFDUUKBQQIIDY-AWEZNQCLSA-N 301.346 1.319 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1c1ccncn1 585182036 QTOQMMMWQQYIOS-JTQLQIEISA-N 307.379 1.335 0 40 DDAB CC(C)[C@H]1CN(Cc2ccco2)CCN1C(=O)N1CCOCC1 72324102 OVSLZNYKCJEAQD-MRXNPFEDSA-N 321.421 1.874 0 40 DDAB CS(=O)(=O)c1ccc(NCC2CCC2)c(S(C)(=O)=O)c1 48601371 QXANZVFLSVMBIA-UHFFFAOYSA-N 317.432 1.706 0 40 DDAB CN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@H](O)CN1 37798605 MTWWKOXMEVFHAP-NWDGAFQWSA-N 313.195 1.130 0 40 DDAB C[C@@H]1C[C@H](N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C(=O)O1 75929106 YRJZJZQOXRKJJQ-UTLUCORTSA-N 308.300 1.081 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)Nc2cccn(C)c2=O)cc1 78712890 GYXZUTKNNRZLIB-UHFFFAOYSA-N 306.343 1.389 0 40 DDAB Cc1c(C(=O)NC(C)(C)C(=O)O)cnn1-c1ccccc1F 95956920 VPADIHCOININOX-UHFFFAOYSA-N 305.309 1.913 0 40 DDAB C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 195550187 YUFDKFSORLILKN-UPJWGTAASA-N 306.472 1.596 0 40 DDAB O=S1(=O)CC[C@@H](CNC2CCN(Cc3ccccc3)CC2)C1 74231366 LEGRBMVYKVCBCA-INIZCTEOSA-N 322.474 1.675 0 40 DDAB COc1cc(-c2n[n+]3ccccc3n2C)cc(OC)c1OC 12428073 LTCMQHYZYQRCBY-UHFFFAOYSA-N 300.338 1.852 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(F)c1 13856452 XLHXJMXTDYAYLA-MELADBBJSA-N 305.353 1.554 0 40 DDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 169684021 ABVBOYDDLJKDFV-QCQGSNGOSA-N 319.744 1.454 0 40 DDAB O=S1(=O)CCC[C@@H]1CNc1cc(N2CCCCC2)ncn1 151645453 LNGLDXODVKEUBZ-GFCCVEGCSA-N 310.423 1.456 0 40 DDAB CCNC(=S)N(CCO)Cc1cc2ccc(C)cc2[nH]c1=O 4131604 HRHZJZMZXUSEHX-UHFFFAOYSA-N 319.430 1.525 0 40 DDAB CC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(N)=O 207317474 NFZAFYSRHSRTDI-CQSZACIVSA-N 321.377 1.073 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H]2OC[C@H]3CCCN3C2=O)cc1 2759275 GWJBZHYHYLALQN-HIFRSBDPSA-N 318.373 1.804 0 40 DDAB COCCOC[C@H](O)CN1CCN(c2ccc(C)cc2)CC1 19210632 LVNZMKRPSOCWKE-QGZVFWFLSA-N 308.422 1.141 0 40 DDAB CC(C)c1nc(N2CCN(c3ccncn3)CC2)nc(O)c1F 1888855815 OYMFZSILJAWIPE-UHFFFAOYSA-N 318.356 1.561 0 40 DDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCC(O)CC2)c1 13248423 WHVMFMMCEDZAKS-UHFFFAOYSA-N 319.766 1.184 0 40 DDAB CNC(=O)Cn1c(CO)cnc1SCc1ccc(F)cc1 9827366 WIJSMGGKAUMYRC-UHFFFAOYSA-N 309.366 1.553 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@]12CCN(C(=O)CCc1ccc[nH]1)C2 2055815371 BLOSZDAMQOTPRV-YJBOKZPZSA-N 315.417 1.855 0 40 DDAB O=C(NC1CCC1)[C@@H]1C[C@@]12CCN(C(=O)CCc1ccc[nH]1)C2 2055815368 BLOSZDAMQOTPRV-MAUKXSAKSA-N 315.417 1.855 0 40 DDAB Cc1nc(CN2CCN(Cc3cnn(C)c3)[C@H](C)C2)cs1 2298029635 SAWBTZBCTPOUGY-GFCCVEGCSA-N 305.451 1.891 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](O)c1ccccc1Cl 96487016 UBYDZKZYHLVVRW-LALPHHSUSA-N 324.808 1.353 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cc(=O)[nH]c2ccccc12 102425352 BZSGALZQKCIGFF-OKILXGFUSA-N 308.337 1.979 0 40 DDAB biogenic,in-vitro Cc1cccc(OCCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 40161704 UQPQMRNUHGWKAV-QGZVFWFLSA-N 318.417 1.697 0 40 DDAB Cc1cc(C)n(-c2ccccc2NC(=O)[C@H]2COCCO2)n1 30884329 HWAVPFMMMXBWBB-OAHLLOKOSA-N 301.346 1.843 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccc(F)c2)no1 40513033 MFHAWPOBDPPYRL-NSHDSACASA-N 324.333 1.398 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)n(C)n1 40512285 SQYKODFPKGPJHT-GFCCVEGCSA-N 300.366 1.374 0 40 DDAB NC(=O)C1CCN(Cc2csc(-c3ncccn3)n2)CC1 51200222 JXBREIKDCZQRCJ-UHFFFAOYSA-N 303.391 1.297 0 40 DDAB CC(=O)Nc1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1 20616427 SCYQEGDQXASFJO-UHFFFAOYSA-N 302.290 1.329 0 40 DDAB COc1cnc(N(C)Cc2ccccn2)nc1-c1ccnn1C 20868308 FTQUOVQXWIFIFL-UHFFFAOYSA-N 310.361 1.917 0 40 DDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1Cl 101675332 LPFKTOJLLWHOJA-SECBINFHSA-N 307.697 1.319 0 40 DDAB COc1ccc(CCC(=O)N2CC[C@H](C(N)=O)C2)cc1Cl 41130733 JVLZAQJMNCDTPF-NSHDSACASA-N 310.781 1.615 0 40 DDAB CCc1nnc(COC(=O)c2cc(OC)c3c(c2)OCCO3)o1 32865232 IMLUSZHCHZCHHN-UHFFFAOYSA-N 320.301 1.769 0 40 DDAB Cc1cc([C@@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)on1 52822064 LAWMYXVENWNYSW-LBPRGKRZSA-N 320.393 1.840 0 40 DDAB CCOCC(=O)OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 21977625 LZZUHUWUJGLFDD-UHFFFAOYSA-N 320.345 1.114 0 40 DDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)C1CCC1 41468973 CMRMYNZZAWBBPP-UHFFFAOYSA-N 308.403 1.295 0 40 DDAB COc1ccc(CN(C2CC2)[C@H]2CC(=O)N(C3CC3)C2=O)cc1 103022670 CFZIGVAGTPWTEO-INIZCTEOSA-N 314.385 1.950 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CCC[C@@H](C(=O)O)C1 22158442 HGGRXUQFSMXHGH-MRVPVSSYSA-N 315.167 1.724 0 40 DDAB CS(=O)(=O)NC(=O)c1ccc(COCC(F)(F)F)cc1 42279612 QAKRXLVVHPUDNZ-UHFFFAOYSA-N 311.281 1.455 0 40 DDAB Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(C(=O)O)c1 3152567 VIGDDPCAHXFSAG-UHFFFAOYSA-N 300.270 1.918 0 40 DDAB CCCCc1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1 1844982 XSYSSUAGVNOMCE-UHFFFAOYSA-N 322.361 1.439 0 40 DDAB in-man CCOC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1 12596038 FEZYPNRNGYLYHF-HUUCEWRRSA-N 323.389 1.060 0 40 DDAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 2317416 WYHMLJNHFVVVQG-TXFQPVFDSA-N 301.273 1.109 0 40 DDAB COCCCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4279997 BRUGUWUXSQSXJY-GFCCVEGCSA-N 314.769 1.748 0 40 DDAB CC(C)[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(F)cc1 24241791 RSDYPVHWILVXRL-INIZCTEOSA-N 307.369 1.071 0 40 DDAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC3CC3)n2)cc1 4968176 TWGBCYHJAZOBAK-UHFFFAOYSA-N 313.357 1.445 0 40 DDAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1 6679581 LPTNRYZVBBTELI-MRVPVSSYSA-N 304.437 1.835 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 6847595 LJADSADPCXIDOY-UHFFFAOYSA-N 308.334 1.654 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 55199301 UTGLQEGERFUOCY-BLLLJJGKSA-N 318.373 1.296 0 40 DDAB CN(C)c1ncccc1C(=O)N1CCN(C2CCCC2)CC1 56689705 PBOUZSYSYFMYPS-UHFFFAOYSA-N 302.422 1.848 0 40 DDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H](n2cncn2)C1 72235041 DIJRJHGXTWABPS-GJZGRUSLSA-N 319.409 1.233 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1nccc(OC)n1 72268333 TWEGOJBUMPPFGH-STQMWFEESA-N 304.394 1.855 0 40 DDAB CN(CC(=O)NCc1ccco1)CC(=O)N(C)c1ccccc1 26855972 HKPPJUAMIWSALN-UHFFFAOYSA-N 315.373 1.491 0 40 DDAB CN(CCC(=O)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 26920067 HZDKMTMQSHJXGU-CQSZACIVSA-N 322.430 1.085 0 40 DDAB CCCn1c(N)c(C(=O)CN(C)[C@H](C)C(C)(C)C)c(=O)[nH]c1=O 27134049 DGCMKCBQYCXJDQ-SNVBAGLBSA-N 324.425 1.078 0 40 DDAB C[C@@H](C(N)=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27297818 QJAUJPVVXVUDCE-VIFPVBQESA-N 317.311 1.284 0 40 DDAB CCC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccoc2)CC1 27467848 ORZLNFYPZSUQQF-ZDUSSCGKSA-N 307.394 1.342 0 40 DDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(OC)cc1 58178167 JJLRNEJYGPHTKK-UHFFFAOYSA-N 309.391 1.640 0 40 DDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cc[nH]n1 44977918 AGRCRDOTIPFUIJ-MRXNPFEDSA-N 314.389 1.409 0 40 DDAB O=C(CCNc1ncccn1)N1CCO[C@H](c2ccccc2)C1 58407748 CUJXQKMHAXNSMQ-HNNXBMFYSA-N 312.373 1.879 0 40 DDAB C[C@H](CNC(=O)NC[C@@H]1Cc2ccccc2O1)N1CCOCC1 48343731 UQPYKWCZRKJLCL-HIFRSBDPSA-N 319.405 1.010 0 40 DDAB COCCn1c(C(=O)N[C@H](C(N)=O)C(C)C)cc2ccccc21 72302876 VZKYIKASLRZBFN-HNNXBMFYSA-N 317.389 1.527 0 40 DDAB CC[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1N1CCOCC1 84735649 CDVDLGJRAZOMOS-RBSFLKMASA-N 306.410 1.013 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)on1 45683059 NVLXBTMFDFKNKS-DZGCQCFKSA-N 322.409 1.378 0 40 DDAB C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)O)C1=O 36722487 KIJHCCWQWZTUBS-GFCCVEGCSA-N 300.673 1.331 0 40 DDAB in-vitro Cc1nc2ccccc2n1CCCNC(=O)Cn1ccccc1=O 45828660 NHXKGSGKKCMSLB-UHFFFAOYSA-N 324.384 1.713 0 40 DDAB Cc1ccc(C(=O)NCCN(C)C(=O)c2ccc(C)n2C)n1C 119384877 ZZQQXPCORKXYMK-UHFFFAOYSA-N 316.405 1.482 0 40 DDAB CN1N=C(C(=O)N[C@H](c2ccccc2)c2ccccn2)CCC1=O 29715570 ZZFFCFAPFVIKFU-QGZVFWFLSA-N 322.368 1.895 0 40 DDAB C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CCO1 46921947 ALOSDFMIAZMGPD-NSHDSACASA-N 312.391 1.020 0 40 DDAB Cc1cccc(OCCCCC(=O)NCc2n[nH]c(=O)[nH]2)c1 72311730 SYEUZYAXBDKOQQ-UHFFFAOYSA-N 304.350 1.272 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 13170447 UFQZVMLULHEIOM-FVOPLDGLSA-N 303.314 1.752 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCCN(c2nccs2)CC1 64430068 HDZMPDVSHRYWGR-LBPRGKRZSA-N 310.423 1.544 0 40 DDAB Nc1nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]1 6015925 PLVBIFAUTCIAFO-UHFFFAOYSA-N 307.423 1.564 0 40 DDAB C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1F 71413052 RAAFCTRPZNWDPG-CPCISQLKSA-N 308.325 1.380 0 40 DDAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cccc(Cl)c1 4333944 BZDDDRCHBCDRGP-QMMMGPOBSA-N 323.736 1.476 0 40 DDAB Cc1nnc2ccc(N3CCN(c4ccccc4F)CC3)nn12 65530914 CDUQXKBLLWLBEB-UHFFFAOYSA-N 312.352 1.898 0 40 DDAB C[C@]1(c2ccc(Cl)s2)NC(=O)N(CCC(N)=O)C1=O 66969206 GZGQHVWQPFPIDJ-LLVKDONJSA-N 301.755 1.044 0 40 DDAB Cc1nnc(SCc2coc(-c3ccccc3)n2)n(N)c1=O 15223894 RTPPKNBCQZJODW-UHFFFAOYSA-N 315.358 1.608 0 40 DDAB Cc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1C 67261928 WPRHRZSSBPQPPN-AWEZNQCLSA-N 300.362 1.793 0 40 DDAB Cc1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)n2ncnc2n1 96481126 RMBMEXMETLVMSA-RISCZKNCSA-N 305.407 1.899 0 40 DDAB Cc1cc(CN2C(=O)c3ccccc3CS2(=O)=O)nn1C 96480626 SNJQDXKQPFHTCO-UHFFFAOYSA-N 305.359 1.214 0 40 DDAB CC(C)(C)c1cc(N2CCO[C@H](C(N)=O)C2)nc(C(C)(C)C)n1 95418163 JMLDWTWRUFJAOH-NSHDSACASA-N 320.437 1.762 0 40 DDAB CCOC(=O)[C@H]1CCCN1c1ncncc1Br 90782453 ZIDUURGCWVPHIE-SECBINFHSA-N 300.156 1.771 0 40 DDAB CNC(=O)C1(C(=O)NCc2cn3c(C)cccc3n2)CCC1 68569407 YNWJDPQILYNFNW-UHFFFAOYSA-N 300.362 1.175 0 40 DDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Cl)cc1 8395608 UHCKQINUDHTCGE-LURJTMIESA-N 324.797 1.809 0 40 DDAB CC(C)NC(=O)N1CCN(Cc2nc(-c3ccoc3)no2)CC1 71904301 FWVQWUZNNNYQKG-UHFFFAOYSA-N 319.365 1.565 0 40 DDAB COc1cccc(-c2noc(N3CCC[C@@H]3C(=O)N(C)C)n2)c1 95407728 TXADOVJYKHZUIF-CYBMUJFWSA-N 316.361 1.802 0 40 DDAB CC(C)c1nsc(N2CCN(C(=O)c3cnccn3)CC2)n1 95408575 XCZXFQWRXVKOKY-UHFFFAOYSA-N 318.406 1.414 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)CNC(=O)CC1CCCCC1 69452359 NSVRNPKELZJPIP-UHFFFAOYSA-N 311.426 1.104 0 40 DDAB O=C(NCCC1CCC1)N[C@@H]1CCN(C(=O)c2ccncc2)C1 95416837 OTPOSTUSYZPMHV-OAHLLOKOSA-N 316.405 1.786 0 40 DDAB CC[C@H](C)N(C)CCNS(=O)(=O)c1c(C)nn(C)c1Cl 69656701 OVXZSXYHOAEAEV-VIFPVBQESA-N 322.862 1.391 0 40 DDAB O=C1C[C@H](C(=O)Nc2cncc(Br)c2Cl)CN1 95452157 LBJNIWIICWCULO-YFKPBYRVSA-N 318.558 1.572 0 40 DDAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cnccn1 70762062 QCAUZVLVLOOEPX-CYBMUJFWSA-N 311.263 1.657 0 40 DDAB CCOC(=O)CN(C)C(=O)CN1CCOc2ccc(F)cc21 88614119 VNKJMUWAQAOTAT-UHFFFAOYSA-N 310.325 1.046 0 40 DDAB O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 95949211 HKTMFIAIBGXSON-STQMWFEESA-N 308.378 1.101 0 40 DDAB CC(=O)NCCCS(=O)(=O)c1nccn1-c1ccccc1C 95977405 BEECQCNLURWWHZ-UHFFFAOYSA-N 321.402 1.481 0 40 DDAB O=C1CN(C(=O)NCC2(c3ccc(F)cc3F)CC2)CCN1 89243226 HYRUJELIIBKLDU-UHFFFAOYSA-N 309.316 1.138 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1cnn(C)c1 75121587 FSCGQNXXKWXRNC-UHFFFAOYSA-N 324.344 1.055 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)NCCc2csc(C)n2)C1 89709093 VQHOKEXVUIIKHY-LBPRGKRZSA-N 310.423 1.304 0 40 DDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O 89869809 YZZIACCBWUUUNF-WBMJQRKESA-N 320.393 1.606 0 40 DDAB CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2noc(C)n2)CCO1 75573110 LXIMZENXPSRXHJ-CHWSQXEVSA-N 308.382 1.152 0 40 DDAB NC(=O)[C@H](CNc1ncnc2[nH]ncc12)Cc1ccc(F)cc1 75582973 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1.909 0 40 DDAB Cc1ccc(SCCn2nc(C(N)=O)ccc2=O)cc1C 72302560 HJQCZBJKWUHMOE-UHFFFAOYSA-N 303.387 1.751 0 40 DDAB CNS(=O)(=O)[C@H]1CCN(Cc2csc(C(C)C)n2)C1 89893548 LFVJJDGAQJNRDJ-NSHDSACASA-N 303.453 1.390 0 40 DDAB NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCCc1ccccn1 89883634 WZZWCHBXRWSOHD-GJZGRUSLSA-N 303.406 1.955 0 40 DDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccnc2ccccc12 89919996 DHISSCDUTBORLY-VXGBXAGGSA-N 318.398 1.882 0 40 DDAB Cc1noc(CCCC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75602102 VWALEFFVXRMFER-UHFFFAOYSA-N 304.350 1.322 0 40 DDAB Cn1ccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 76084286 KOXIGFJVQIGOMN-QWHCGFSZSA-N 300.362 1.465 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(Cc3c(C)noc3C)C2)no1 76047348 SUMKVCGASQJVPL-ZDUSSCGKSA-N 305.382 1.689 0 40 DDAB O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccccc2F)C1 45326797 CJQXHOUCYGYBDM-ZDUSSCGKSA-N 313.332 1.890 0 40 DDAB CCCc1nc(CN2CCCN(c3cccnn3)CC2)no1 69875007 ZESLRUNOFITIHU-UHFFFAOYSA-N 302.382 1.524 0 40 DDAB CCc1ccc(CNC(=O)C(=O)NCCCOC(C)C)cc1 409130182 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DDAB O=C(O)c1ccccc1-n1cc(CN2CC[C@@H](CO)C2)cn1 257251171 JPSSVVYABCNZKE-GFCCVEGCSA-N 301.346 1.385 0 40 DDAB Cc1cc(C)cc([C@@H](O)CNC(=O)NC[C@H]2CCCN(C)C2)c1 252490289 KNYZKEOMBYTCND-WBVHZDCISA-N 319.449 1.978 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257228402 FTRKZBGJSOZEHU-VIFPVBQESA-N 319.390 1.616 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CC[C@@]12CCCO2 257236190 HBCZXJXPBFDEPJ-HOCLYGCPSA-N 316.361 1.368 0 40 DDAB CS(=O)(=O)N1CCC(N2CCC[C@@H]2c2cnccn2)CC1 257253064 JXLAINCTWYWBIX-CQSZACIVSA-N 310.423 1.038 0 40 DDAB CC(=O)N1CCC(Cc2cnc(CN3CCOCC3)cn2)CC1 257296672 RDVOLBMLUQTZIK-UHFFFAOYSA-N 318.421 1.110 0 40 DDAB Cc1cc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)on1 257270847 MVWMDZRIEIWAHS-LBPRGKRZSA-N 302.334 1.945 0 40 DDAB CCCCCC[C@@H](C)NC(=O)c1ccc(=O)n(CCOC)n1 22902488 JVAJYCLOGKSJEN-CYBMUJFWSA-N 309.410 1.978 0 40 DDAB CO[C@@]1(CNC(=O)c2c(C)nc3ccccn23)CCSC1 96097575 ACDJAMQCWKDETE-OAHLLOKOSA-N 305.403 1.895 0 40 DDAB O=c1c(=Cc2ccc(Br)cc2)sc2n1CCN=2 585679548 FZTJQFHWRYULMQ-UHFFFAOYSA-N 309.188 1.134 0 40 DDAB C[C@@H]1Cc2cc(C(=O)NC3(CC(=O)O)CCOCC3)ccc2O1 851597444 UTONZYPDCYGINK-LLVKDONJSA-N 319.357 1.764 0 40 DDAB COc1ccc(OC)c(CNC(=O)N[C@@H](C)Cn2ccnc2)c1 48287176 XGOLQXMUWCWNJP-LBPRGKRZSA-N 318.377 1.788 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)COCc1ccccc1 40501852 SYCKHQMESYAULR-ZDUSSCGKSA-N 316.313 1.674 0 40 DDAB CC(C)[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 57555076 ANJSUUQJTATAKW-ANQUJSFKSA-N 323.481 1.473 0 40 DDAB Cc1cc(C(=O)Nc2c(N(C)C)nc[nH]c2=O)c2ccccc2n1 79110671 DMYMPVIEKYOFFS-UHFFFAOYSA-N 323.356 1.945 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCOC[C@H]2CN(C)CCO)c1 85469794 FGUJTAZEWYPHFY-MRXNPFEDSA-N 306.406 1.069 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2csnn2)C1 548018021 SNBLQALWEOXAOM-CYBMUJFWSA-N 323.447 1.540 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC2(C1)OCCO2 95431913 FIXSCDSDKCBRIM-CQSZACIVSA-N 316.401 1.409 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cnn(C)c2)C1 681289553 KWULDOVZWIICRW-GFCCVEGCSA-N 324.406 1.593 0 40 DDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12114158 ISUUHKGWKSUUIB-UHFFFAOYSA-N 315.308 1.435 0 40 DDAB CCN1CCN(c2ccc(N3C(=O)[C@@H](C)NC3=S)cc2)CC1 12534624 UXDXBUDOAQDOGV-GFCCVEGCSA-N 318.446 1.438 0 40 DDAB CC(C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12996343 SAYTVHMZKAIPIA-NSHDSACASA-N 304.346 1.335 0 40 DDAB C[C@H](Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C)C1CCCCC1 13284801 IMFSIJNLGXRZLW-JTQLQIEISA-N 320.393 1.318 0 40 DDAB COC(=O)[C@]1(C)Cc2cc(OC(C)=O)c(OC(C)=O)cc2N1 5459826 ROHZHZUPUYTOST-HNNXBMFYSA-N 307.302 1.437 0 40 DDAB O=C([C@@H](O)C1CCCCC1)N1CCC[C@H]1c1ccc(O)nn1 530077291 BRVBEDITNMCJND-ZFWWWQNUSA-N 305.378 1.787 0 40 DDAB Cc1cc(-c2cc(=O)n(CC(=O)NC3CC3)nc2C(C)C)on1 13226112 IPIWLJGGDZOTBD-UHFFFAOYSA-N 316.361 1.609 0 40 DDAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc2nccnc2c1 244970233 HORBSGJBOJTOOW-KCXAZCMYSA-N 313.357 1.696 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)c1 22584989 WXCHZRLQFWEJPT-OAHLLOKOSA-N 319.405 1.333 0 40 DDAB O=S(=O)(c1ccccc1OC(F)(F)F)N1C[C@H]2C[C@H]1CO2 371716325 NWOWBJSFDCPRTE-DTWKUNHWSA-N 323.292 1.747 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)NC[C@@H]1CCCO1 218713 PRJYPEDKGOTOJB-NSHDSACASA-N 306.387 1.421 0 40 DDAB Cn1nnnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 3513118 CKMXXNYTJTZWNH-UHFFFAOYSA-N 320.403 1.289 0 40 DDAB COCC(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1 1888844078 WHZCJHWOQJZJFS-GFCCVEGCSA-N 307.394 1.648 0 40 DDAB COc1ccc(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)cc1 1888881828 BWLGMDXVRVZXRO-UHFFFAOYSA-N 312.329 1.066 0 40 DDAB CN(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O 13009135 OSOGYCICZAOGSX-UHFFFAOYSA-N 324.178 1.637 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@H](N4CCCC4)CS3)C2)c1 2056225018 TXDYKFQSXKSAIC-LBPRGKRZSA-N 306.435 1.216 0 40 DDAB CCOC(=O)[C@H](C)n1cnc2c(nnn2-c2ccccc2)c1=O 4266731 VDQLSJIUSRYPMU-JTQLQIEISA-N 313.317 1.101 0 40 DDAB CCOc1cn(C)c(C(=O)Nc2ccc3c(c2)OCO3)cc1=O 23135554 BXDAQEPHDBPMEB-UHFFFAOYSA-N 316.313 1.765 0 40 DDAB O=C(NCCCN1CCCC1=O)C(=O)NCCC1=CCCCC1 38717826 ANZJBOOLILTMEL-UHFFFAOYSA-N 321.421 1.122 0 40 DDAB CCCCS(=O)(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38934828 UDJYWKAONCCYGI-UHFFFAOYSA-N 322.434 1.815 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)C(=O)NCc2cccs2)o1 49026904 NYHFEFXQCXYSQE-NSHDSACASA-N 308.359 1.116 0 40 DDAB CSCC[C@@](C)(O)CNS(=O)(=O)CCc1ccccc1 75157545 FHSIUSLGRRTIGV-CQSZACIVSA-N 317.476 1.653 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)o1 30568381 RWXFGTPZCVLGCQ-UHFFFAOYSA-N 310.331 1.449 0 40 DDAB O=c1cc(-c2ccccc2)nc(-n2[nH]c(C(F)(F)F)cc2=O)[nH]1 100927722 MCVHLQMDTMEGGN-UHFFFAOYSA-N 322.246 1.935 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 41131878 BZVULGRWTNSUAM-MRVPVSSYSA-N 301.173 1.870 0 40 DDAB COc1cccc(COCC(=O)NCCc2ccccn2)c1 32930869 TVHRSEXZMAWEOU-UHFFFAOYSA-N 300.358 1.966 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 33213043 JBORGTTXOWMSLT-JTQLQIEISA-N 315.295 1.841 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1F 53491453 OTJFIOKYLOWLSY-SNVBAGLBSA-N 323.368 1.802 0 40 DDAB Nc1nccnc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 22464037 LOLDVTLAVJTECT-CQSZACIVSA-N 311.389 1.626 0 40 DDAB O=C(NCCC(=O)N1CCCC[C@@H]1C(=O)O)c1ccsc1 37437936 JBJOMPIKCYNXKE-LLVKDONJSA-N 310.375 1.334 0 40 DDAB CN(CCC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1 78969250 ZDZYOZNVWKZLSE-AWEZNQCLSA-N 304.394 1.172 0 40 DDAB COC(=O)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccccc1F 79094244 DOTBZXIIKHQTOH-CABZTGNLSA-N 306.297 1.009 0 40 DDAB O=C(O)CNc1cc(-c2ccccc2)nc(NCC(=O)O)n1 1619518 VAVRGNMIQUKSHJ-UHFFFAOYSA-N 302.290 1.137 0 40 DDAB CCOC(=O)N1CCC(NC(=O)Cc2csc(C)n2)CC1 23750939 XCGSSKZMBRSNKL-UHFFFAOYSA-N 311.407 1.731 0 40 DDAB O=C(CS(=O)(=O)c1ccccc1Br)NC1CC1 47639591 SIUWFTITSALULQ-UHFFFAOYSA-N 318.192 1.501 0 40 DDAB CC(C)Oc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 42876509 KRHCZQJBLAPORM-HNNXBMFYSA-N 313.357 1.825 0 40 DDAB CCOCCNC(=O)c1ccccc1C(=O)NCCOCC 4388377 SFUKPVREXGWBQD-UHFFFAOYSA-N 308.378 1.219 0 40 DDAB COC(=O)C[C@@H](NC(=O)CCc1cnn(C)c1)c1ccccc1 54821370 LERYLBKCNNAZDI-OAHLLOKOSA-N 315.373 1.773 0 40 DDAB C[C@@H](C(=O)NCc1cccc(N2CCCC2=O)c1)n1cccn1 42924082 MOSCLCHQJYGUEF-ZDUSSCGKSA-N 312.373 1.887 0 40 DDAB O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc(F)cc1 6101269 BYHRFZZOOIKXOA-UHFFFAOYSA-N 305.261 1.575 0 40 DDAB CCCCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 6597117 RQTQXIXJZXBUOG-UHFFFAOYSA-N 316.398 1.898 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C2=COCCO2)C1 24588120 QERQTVIAGDYDEP-ZDUSSCGKSA-N 316.357 1.752 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 106586104 QRUCKJYUGPMESG-KCQAQPDRSA-N 304.390 1.704 0 40 DDAB C[C@@H](CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 25629741 ZTNDUDGNITYNMD-LBPRGKRZSA-N 312.373 1.359 0 40 DDAB O=C1C[C@@H](C(=O)N2CCOCC2)CN1Cc1ccccc1Cl 25969234 ACYBPEURUSQUJF-CYBMUJFWSA-N 322.792 1.547 0 40 DDAB Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)no1 44622477 PIJVGJOZGLIJHU-INIZCTEOSA-N 315.373 1.786 0 40 DDAB O=C(Nc1nncs1)N1CCC[C@@H]1c1nnc2ccccn12 58024126 LXFNSCVMNPQTLV-SECBINFHSA-N 315.362 1.950 0 40 DDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(F)c1 48251775 KCVSFOUPKQMDRW-NSHDSACASA-N 316.398 1.597 0 40 DDAB CN(C)C[C@@H](Cc1ccccc1)NC[C@@H]1CNc2ccnn2C1 58296094 PBHCWQIBZUJFIH-IAGOWNOFSA-N 313.449 1.687 0 40 DDAB COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@@H]1CCC(=O)N1 72907397 XJPFBBHCYCKHCY-IHRRRGAJSA-N 322.405 1.235 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)NCCc1cn2ccccc2n1 27968728 LSEVGJRJNSTIAM-CYBMUJFWSA-N 322.434 1.586 0 40 DDAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1(C)C 58403962 NELQSQWTJFAOAC-QWHCGFSZSA-N 314.451 1.329 0 40 DDAB COc1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1OC 3397367 SVERMCNCRNHNHO-UHFFFAOYSA-N 320.301 1.796 0 40 DDAB COc1ccc(Nc2nc(NCCCO)nc3[nH]cnc23)cc1 36370064 JXEDGMOPWWFEIS-UHFFFAOYSA-N 314.349 1.899 0 40 DDAB biogenic Nc1nc(Cl)cc(NC[C@H](O)COc2ccc(F)cc2)n1 57149287 FLBOJLRJNRAKGF-VIFPVBQESA-N 312.732 1.703 0 40 DDAB CCN(C)c1ccc(C(=O)N(CCOC)CCN(C)C)cc1 84760894 DDMWWMDNWGKFCT-UHFFFAOYSA-N 307.438 1.793 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)N1 102840018 RIIJVOUFVUGWKI-IJLUTSLNSA-N 305.378 1.013 0 40 DDAB Cc1cccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 59423608 DMHVQPVCDLOTTD-CYBMUJFWSA-N 310.419 1.043 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Cl)c1F 45896216 LVNVBXCRIRFQIA-NSHDSACASA-N 323.715 1.928 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccncc1 46629231 CSNJMCOFGHOMKW-AAEUAGOBSA-N 311.407 1.073 0 40 DDAB CC(C)c1ccccc1NC(=O)COC(=O)C1=NNC(=O)CC1 4349191 LKZWURXODHJVNG-UHFFFAOYSA-N 317.345 1.558 0 40 DDAB COC[C@H](C)NC(=O)N[C@@H](c1ccccc1F)c1nccn1C 65424128 CWOPFLHDANANRX-FZMZJTMJSA-N 320.368 1.983 0 40 DDAB COCC[C@H](NC(=O)c1ccc(-c2ccccc2)n1C)C(N)=O 95463333 XPUVDLWJJOEVAD-ZDUSSCGKSA-N 315.373 1.312 0 40 DDAB C/C=C/c1ccc(OC[C@@H](O)CN[C@H](CC)CO)c(OC)c1 6552535 SSOTZYNVHANWFJ-WBNAFJIESA-N 309.406 1.829 0 40 DDAB CCN(CC)C(=O)CN(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 15484832 QLLYDYJVMUSLFJ-ZDUSSCGKSA-N 323.412 1.803 0 40 DDAB O=c1cc(NC[C@H]2COc3ccccc3O2)nc2ccccn12 15544005 HFWQOCVECUIBHU-LBPRGKRZSA-N 309.325 1.946 0 40 DDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 80599527 KRVKRNPCWPLNLZ-HIFRSBDPSA-N 324.446 1.721 0 40 DDAB O=C1NC2(CCN(Cc3ccncc3)CC2)N2CCCC[C@@H]12 96429889 RKDRJUKRBQRMDV-HNNXBMFYSA-N 300.406 1.358 0 40 DDAB CNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 7791663 HNDANDPBLRUASQ-UHFFFAOYSA-N 302.286 1.435 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NC1CCCCC1 408669408 GUJNJMSLUUXUBT-UOVKNHIHSA-N 304.390 1.466 0 40 DDAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCCC2)nc1 69015858 KQBNUPMDMICZSR-ZDUSSCGKSA-N 304.394 1.271 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 69349715 GJKGSOPWXQCFHS-AWEZNQCLSA-N 317.393 1.661 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C2CC2)C2CC2)C1 84811549 RGHBGAXESOIPFE-ZDUSSCGKSA-N 314.451 1.353 0 40 DDAB O=S(=O)(NCc1nnc2ccccn12)c1ccc(F)cc1 8394300 ZMYVRFQMTWWQBK-UHFFFAOYSA-N 306.322 1.347 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 17031756 XELHPPDUMQDJFV-CYBMUJFWSA-N 308.403 1.520 0 40 DDAB COc1cccc(C(=O)N[C@H](C)C(=O)NC2CCCC2)c1OC 69453651 BUNGBPZPJOOCKX-LLVKDONJSA-N 320.389 1.881 0 40 DDAB O=C(Nc1cccc(F)c1F)C(=O)N[C@H]1CCN(C2CC2)C1 71920344 CUFKFPWVLRTUEZ-VIFPVBQESA-N 309.316 1.256 0 40 DDAB O=C1CCc2cc(OCCN3CCc4cncnc4C3)ccc2N1 69538030 UTMKIFAWDVWNEM-UHFFFAOYSA-N 324.384 1.798 0 40 DDAB CCOCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccco1 69527476 VJKIRTQLCSNEID-LBPRGKRZSA-N 312.391 1.176 0 40 DDAB CCc1ccc(CN(C)C(=O)CNC[C@H]2CN(C)CCO2)cc1 69617190 BSVYHMDFXVTJKM-KRWDZBQOSA-N 319.449 1.128 0 40 DDAB Cc1ccccc1C1CCN(CC(=O)N2CCNC2=O)CC1 69739353 XFAOTVNLLPTMGY-UHFFFAOYSA-N 301.390 1.726 0 40 DDAB Cc1noc(CCc2nc(-c3ccc4c(c3)OCO4)no2)n1 85235748 VSPQNDIWYPVMMI-UHFFFAOYSA-N 300.274 1.942 0 40 DDAB NC(=O)Nc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 25885204 VQFIGUSHXZAOJX-UHFFFAOYSA-N 318.377 1.812 0 40 DDAB CC[C@H](CO)NC(=O)CCCOc1ccc(C(C)=O)cc1OC 97034078 JNWTZLCCQVQNNO-CQSZACIVSA-N 323.389 1.944 0 40 DDAB COCC[C@H](C)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97162700 JQNAEIHSPCKNIY-ZDUSSCGKSA-N 312.435 1.758 0 40 DDAB COc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)cc2c1OCCO2 95989616 FVKVHDYZTDTLDQ-MRXNPFEDSA-N 321.329 1.450 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1(N(C)C)CCC1)CC2 95966821 VJPZXTRNUQAFSF-KGLIPLIRSA-N 310.438 1.249 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(O)cc2F)C[C@@H]1N1CCOCC1 95993029 JWSHYCGFYZBTPR-ABAIWWIYSA-N 308.353 1.324 0 40 DDAB Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(=O)[nH]1 75124462 AIHCGIVTPUYQAF-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB Cc1nc(CN2CCC[C@@H](N(C)CCc3ccncc3)C2)no1 89718350 IGWAROORDBMRBT-MRXNPFEDSA-N 315.421 1.912 0 40 DDAB O=C(NCc1ccoc1)[C@H]1COCC(=O)N1Cc1ccccc1 89834823 BZXINOPHQOBRLT-OAHLLOKOSA-N 314.341 1.323 0 40 DDAB CN(C)[C@H](CNC(=O)NCCc1cnn(C)c1)c1ccco1 43137771 ZADIYKGLOULVGT-CYBMUJFWSA-N 305.382 1.158 0 40 DDAB NC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409391916 PEEDKYMFPXRYEZ-UHFFFAOYSA-N 319.386 1.698 0 40 DDAB c1cc(N2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)nc(C2CC2)n1 547694159 GAEODAWFHCCPGL-CYBMUJFWSA-N 321.388 1.509 0 40 DDAB Cc1ccoc1C(=O)NCCCNc1ncnc2[nH]cnc12 77995125 DOVBKSLDQUBRFV-UHFFFAOYSA-N 300.322 1.486 0 40 DDAB O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1C=CCCC1 560519110 CTDQMLDJWMQPNO-HNNXBMFYSA-N 323.437 1.276 0 40 DDAB CCNC(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1 44735623 NWPHUJKWEYYNRV-UHFFFAOYSA-N 317.220 1.647 0 40 DDAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(N)noc2C)cc1 72240862 GZAAGQGMBLAMNQ-UHFFFAOYSA-N 310.335 1.324 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(N)C(=O)O 218573382 QFGKNOHDHKYYJJ-SCVCMEIPSA-N 303.767 1.023 0 40 DDAB CC/C=C(/C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 122175051 HOULMQJHFUXBIJ-AZNSZHPSSA-N 307.438 1.450 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(F)c1F 77844920 GDCMEJSPFRXDOU-VFZGTOFNSA-N 314.332 1.817 0 40 DDAB CN(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cn1 20374368 RISWBQZDQUJCCR-UHFFFAOYSA-N 324.340 1.382 0 40 DDAB CCCO[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)CC1 79354181 HTHVUGIRNLHBHC-XHSDSOJGSA-N 312.454 1.951 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 131376995 GWZYSXHWJLWSFL-LBPRGKRZSA-N 322.390 1.255 0 40 DDAB Cc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C2 194090387 NKOTXXAAGBSXLJ-CYBMUJFWSA-N 324.446 1.468 0 40 DDAB CCc1nnsc1C(=O)N[C@H]1CCCN(c2ccccn2)C1 130738303 UEMCGTRSBKJVDV-NSHDSACASA-N 317.418 1.894 0 40 DDAB CO[C@H]1CNC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 195554061 VSGZJOHQSVPQSO-JSGCOSHPSA-N 305.309 1.197 0 40 DDAB O=C1c2cnc(N3CCOCC3)nc2CN1Cc1ccccc1 46087997 KCDWVESYWXVWBM-UHFFFAOYSA-N 310.357 1.469 0 40 DDAB Cc1cnc(C(=O)N2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cn1 96220009 OJVVKMLMUCDLDX-RHSMWYFYSA-N 317.389 1.585 0 40 DDAB CCS(=O)(=O)N(C)C1CCN(c2ccc(Cl)cn2)CC1 96456192 DELLBDPEYPYOIE-UHFFFAOYSA-N 317.842 1.985 0 40 DDAB CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)c2cnc(C)cn2)O1 96186050 GIIPRWQBUXLFCP-QEJZJMRPSA-N 305.378 1.584 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C1 230172249 ZRUSNWDZUVRXAA-UPJWGTAASA-N 304.394 1.278 0 40 DDAB c1cc(CN2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)co1 96185041 MWFYVBLDUZDJKJ-BBWFWOEESA-N 307.390 1.922 0 40 DDAB CCN(CC)C[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@H]1O 514288437 FHQZGJHXUMNVFJ-MELADBBJSA-N 306.397 1.624 0 40 DDAB biogenic,in-vitro 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Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2cnnn2)cc1 6587068 NEHJVTHBNQBKOK-UHFFFAOYSA-N 320.334 1.068 0 40 DDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCn2ccnc2C1 97201341 LFKCAQRIQPYVTJ-GFCCVEGCSA-N 302.382 1.503 0 40 DDAB Cc1csc(NC(=O)Cn2cnc3sccc3c2=O)n1 15007580 MOMSRBHLIOOWNP-UHFFFAOYSA-N 306.372 1.862 0 40 DDAB Cn1c(=O)c(CCC(=O)N2CCSCC2)nc2ccccc21 72405183 CYOBNSDBDXDRPC-UHFFFAOYSA-N 317.414 1.442 0 40 DDAB COC(=O)Cn1ncc2c(N(C)Cc3ccsc3)ncnc21 96408644 HACZZXRUOCFNDX-UHFFFAOYSA-N 317.374 1.697 0 40 DDAB CC(C)[C@H](Sc1nnnn1C1CCCC1)C(=O)NC(N)=O 16371921 UEURXWRTLLZUJL-VIFPVBQESA-N 312.399 1.100 0 40 DDAB C[C@H](NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C1CCCC1 71886555 QAFUJPCFTQTGFI-WFASDCNBSA-N 303.406 1.961 0 40 DDAB Cc1c[nH]cc1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 71841543 ZBIDDMACBUKKJS-LBPRGKRZSA-N 303.337 1.536 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN([C@@H](C)c3cccnc3)C2)C1=O 84597294 ZEAMHMUYOUHSAD-LRDDRELGSA-N 302.378 1.547 0 40 DDAB Cc1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc1 71907634 XGVFJWVCJZGNNK-UHFFFAOYSA-N 308.447 1.568 0 40 DDAB CCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)c2ccccc21 71909466 UMJPEKYIYUQIPQ-ZDUSSCGKSA-N 310.419 1.842 0 40 DDAB CC1=C(C(=O)OC(C)C)[C@@H](c2cn(C)nc2C)n2ncnc2N1 17053777 FITRMHFQJCXUDG-CYBMUJFWSA-N 316.365 1.561 0 40 DDAB CC(=O)N[C@@H](C)C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69536565 WJELWIFYUVXOHN-ZETCQYMHSA-N 308.288 1.818 0 40 DDAB CN1C[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCC2)CC1=O 69533330 YWEMGFVACYQEMH-LBPRGKRZSA-N 304.365 1.842 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)NCCCS(C)(=O)=O 87069970 QPMMWTUFQUXDAH-UHFFFAOYSA-N 316.398 1.411 0 40 DDAB C[C@H]1C[C@@H](N2CCCN(C(=O)Oc3ccccc3)CC2)C(=O)O1 72074138 HBTVJSMNZJCYLJ-DZGCQCFKSA-N 318.373 1.897 0 40 DDAB C[C@@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccccc1 69897876 RTJHZKGCUUALFV-UKRRQHHQSA-N 303.406 1.833 0 40 DDAB CC(C)c1nc(CN2CCCN(Cc3nccn3C)CC2)no1 69951382 IJRBMDGJJKGEAN-UHFFFAOYSA-N 318.425 1.634 0 40 DDAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N1CCOCC1 8720521 WPGGOKKAFGVQSG-LLVKDONJSA-N 321.377 1.313 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1F 18408601 WJWYQZMSTASCJO-LBPRGKRZSA-N 305.309 1.499 0 40 DDAB C[C@@H](c1ccncc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 4099750 IZTDDJXWSQKAAY-ONCMJBGHSA-N 300.314 1.009 0 40 DDAB Cc1c(C(=O)N(C)CC(C)(CO)CO)cnn1C1CCCC1 97079730 XFYRSEHPWGYWOW-UHFFFAOYSA-N 309.410 1.370 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1csc(-c2cccs2)n1 88375167 VSCFNDZLZLYQMK-VIFPVBQESA-N 324.383 1.797 0 40 DDAB Cc1cc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)nn1C 95989120 IIJXYGKKMADKFP-UHFFFAOYSA-N 323.441 1.551 0 40 DDAB C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)O 95970472 GBUJOSVKZBRJJK-NEPJUHHUSA-N 304.346 1.219 0 40 DDAB COc1ccc(C[C@H](C)CNC(=O)[C@H]2CN(C)CCO2)cc1 89298564 VGMHEWGTGHSKHE-XJKSGUPXSA-N 306.406 1.321 0 40 DDAB CCc1c[nH]c(SC[C@H]2CCCN(S(C)(=O)=O)C2)n1 89282711 OMZHLRRGFMALSI-JTQLQIEISA-N 303.453 1.736 0 40 DDAB C[C@H](C(=O)NCCc1ccc2ccccc2n1)S(C)(=O)=O 89478721 RLSXGQHQVRSRES-LLVKDONJSA-N 306.387 1.327 0 40 DDAB COC[C@H](CCO)NS(=O)(=O)c1cc(OC)ccc1Cl 89409716 LTLMICZFUKWLBH-VIFPVBQESA-N 323.798 1.024 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1=O 76044583 NSNWVUJHPHWHPU-GHMZBOCLSA-N 304.350 1.089 0 40 DDAB COc1cc2c(cc1O)CCN(C(=O)CN1CCOCC1)[C@@H]2C 20411695 QEHHKGMHPPPFAW-GFCCVEGCSA-N 320.389 1.179 0 40 DDAB biogenic CCCNC(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408976718 SLPDYYIAFPMQQF-UHFFFAOYSA-N 310.313 1.417 0 40 DDAB CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 23114163 RVHQTLMUFCUXRC-NWDGAFQWSA-N 318.373 1.929 0 40 DDAB CC(C)(C)NC(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 408572353 QYKHEHZYXGPWAC-UHFFFAOYSA-N 301.346 1.224 0 40 DDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)o1)N1CCCC1 35597403 SEIYJAJQWSFWIX-UHFFFAOYSA-N 324.358 1.587 0 40 DDAB CC(C)c1noc2ncc(C(=O)N3CCO[C@H](C(=O)O)C3)cc12 521365978 ASSBJAAONXTIPU-NSHDSACASA-N 319.317 1.272 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NCC1(O)CCCCC1 77820808 YIXGHIZUXGOHFH-UHFFFAOYSA-N 304.390 1.999 0 40 DDAB O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NCc1cccnc1 36739942 IKMGZBQFYOOOPB-QZTJIDSGSA-N 315.392 1.946 0 40 DDAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1F 217402078 KNGFZSOVYLPPEC-UHFFFAOYSA-N 319.354 1.617 0 40 DDAB COC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 72238278 VZHLDMMLWDLLCG-XJKSGUPXSA-N 318.373 1.194 0 40 DDAB O=C(O)Cn1cc(OCc2ccccc2Cl)c(=O)cc1CO 79482789 FCYCZJXUEKIEOF-UHFFFAOYSA-N 323.732 1.658 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cnn(-c3ccccn3)c2)C1 72238985 YNIINYPLHQYTAM-BETUJISGSA-N 320.418 1.934 0 40 DDAB CCC1=NO[C@H](C(=O)N2CCN(c3ncccc3C)CC2)C1 71763285 ZTGKMRRIWDLBIL-AWEZNQCLSA-N 302.378 1.594 0 40 DDAB COCc1ccc(S(=O)(=O)N2CC3CCC2(CN)CC3)cc1 563420947 DGIHCQRVWFKOSR-UHFFFAOYSA-N 324.446 1.725 0 40 DDAB Cc1nnnn1-c1ccccc1C(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 71285674 NWCMLLDVWZZELZ-RDBSUJKOSA-N 309.373 1.913 0 40 DDAB CCCCS[C@@H](C)C(=O)N1CCC(CS(N)(=O)=O)CC1 69892616 NREVKGCKJHXMEI-NSHDSACASA-N 322.496 1.435 0 40 DDAB O=C(COc1ccc(Cl)cc1)NCc1nnc2n1CCCC2 41140098 BKRMYIBMPZZNQQ-UHFFFAOYSA-N 320.780 1.963 0 40 DDAB O=S1(=O)CCC(O)(CN2CCc3cc(Cl)ccc32)CC1 329046047 FUURLEYAXOSNLG-UHFFFAOYSA-N 315.822 1.642 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)C1 225750468 NPTGFTORAVIEFC-UKRRQHHQSA-N 324.446 1.878 0 40 DDAB CS(=O)(=O)c1nccn1Cc1ccc(OC(F)F)cc1 81272591 ARSSXUUZIMBDOL-UHFFFAOYSA-N 302.302 1.936 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3cc(C)on3)CC2)nn1 195562851 LKEAYUOXJUHGOP-UHFFFAOYSA-N 305.338 1.198 0 40 DDAB Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)n1 96053760 QJUXOOCXDQTZQK-IRXDYDNUSA-N 322.412 1.989 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)CC1 96192996 MXZDLXNJSOMQTA-KRWDZBQOSA-N 319.380 1.873 0 40 DDAB Nc1nc(NC[C@H](CO)Cc2ccccn2)nc2ccccc12 95449417 SUECPIYGONEBOY-GFCCVEGCSA-N 309.373 1.870 0 40 DDAB Cn1cc(CCCNC(=O)NC[C@@H](O)c2ccsc2)cn1 96417711 IZSVWTQELNSWKG-CYBMUJFWSA-N 308.407 1.447 0 40 DDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCCC1 96217463 DQAUUQFUGVSBTD-BHYGNILZSA-N 315.417 1.683 0 40 DDAB Cn1ccnc1CN1CCc2c(COCC3CC3)nn(C)c2C1 96085008 KRZJOGZRTARTFQ-UHFFFAOYSA-N 315.421 1.639 0 40 DDAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)CCCF 96456107 FVTABNNXQYDOLI-UHFFFAOYSA-N 322.789 1.900 0 40 DDAB CC(C)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C2=O 96202891 YAFVXDHJNBLTFE-UHFFFAOYSA-N 301.390 1.689 0 40 DDAB C[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(Cl)s1 97374152 CHRZJWLOWAHUEU-QMMMGPOBSA-N 301.799 1.011 0 40 DDAB COCCN1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 257340379 ZFUDNFSQVXWVNQ-WMLDXEAASA-N 306.381 1.910 0 40 DDAB CC(C)Oc1ccc(C(=O)N2CCO[C@](C)(C(N)=O)C2)cc1 257286178 PKPQRJOSHKBLHL-INIZCTEOSA-N 306.362 1.190 0 40 DDAB COC(=O)c1cc(CNC(=O)Cc2cc(OC)ccn2)oc1C 252503477 VDCIGCXSQSERAI-UHFFFAOYSA-N 318.329 1.637 0 40 DDAB O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@H](c2ccn[nH]2)C1 257249006 JGGVUVAOYBMWPF-CYBMUJFWSA-N 308.345 1.620 0 40 DDAB COCC(=O)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257277433 NXXPHHWZFXGXJR-HNNXBMFYSA-N 304.390 1.577 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)Cc1c[nH]cn1 257332715 XYJDCQKFZZJJDK-CQSZACIVSA-N 300.362 1.134 0 40 DDAB COc1ccc([C@@H]2CN(C(=O)C3CCNCC3)CCN2C)cc1 257242780 IECPYUOUYOGGRI-KRWDZBQOSA-N 317.433 1.510 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cnco3)C[C@@H]21 257213440 CHQINGLPOJHVQC-FRRDWIJNSA-N 313.361 1.452 0 40 DDAB CC1(C)C[C@@H](S(=O)(=O)NCCc2noc3ccccc23)CO1 585123422 XTRPWLVUFNMWHO-LLVKDONJSA-N 324.402 1.857 0 40 DDAB O=C(CN1CCC[C@H]1c1cccs1)N[C@@H]1CCCCNC1=O 48009146 CKDVDBDRFPLIIR-OLZOCXBDSA-N 321.446 1.670 0 40 DDAB C[C@@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cnn(C)c1 81498557 WBYJYKCUAKQMLK-LDYMZIIASA-N 306.288 1.190 0 40 DDAB CCOc1ccc(C(=O)N[C@H]2C[C@@H](CO)[C@H](O)C2)cc1OCC 85468739 QSWWLEQSSAIKDM-MELADBBJSA-N 323.389 1.346 0 40 DDAB O=C1C[C@@H](C(=O)NCCCn2cncn2)c2ccc(F)cc2N1 41863052 FKXHJQCKQCEQRU-GFCCVEGCSA-N 317.324 1.050 0 40 DDAB CN(C)CC(C)(C)CNS(=O)(=O)Cc1ccccc1F 95939896 YELDQYUGZURWQE-UHFFFAOYSA-N 302.415 1.833 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1cc(C2CC2)n(C)n1 96099354 SXPBRIDVKBOIDQ-UHFFFAOYSA-N 310.379 1.381 0 40 DDAB Cc1nc(N[C@@H](C)C(=O)N2CCOCC2)c2c(C)csc2n1 97163561 OIDAOTQZMNFNIU-JTQLQIEISA-N 320.418 1.967 0 40 DDAB CCc1ccc(S(=O)(=O)NCC2CCN(C)CC2)s1 22999741 AWFBQVUOXXBNQR-UHFFFAOYSA-N 302.465 1.931 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 5478404 ISABKYQVAFBZOM-DTVLGXAZSA-N 301.298 1.846 0 40 DDAB COCCn1c(SCC(N)=O)nnc1-c1ccc(OC)cc1 5669843 JVMMAERCTRVAKJ-UHFFFAOYSA-N 322.390 1.178 0 40 DDAB CCc1nc(N2CCCC2)ncc1C(=O)N[C@@H]1CCCOC1 12194267 PNSJXCSPIBZFKL-GFCCVEGCSA-N 304.394 1.548 0 40 DDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)Nc1cccnc1)CS2 12668368 YTPRXPGSEYOGLM-LBPRGKRZSA-N 316.386 1.931 0 40 DDAB CCOCCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 13717354 XNAHFHQMERBKOP-UHFFFAOYSA-N 318.373 1.606 0 40 DDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(C(=O)O)cc1 16899435 WORSZTGWTREWEA-SNVBAGLBSA-N 319.342 1.027 0 40 DDAB CN(C)CCCNC(=O)CSc1nncc2ccccc12 19117540 ADLJRWGKCFNAEA-UHFFFAOYSA-N 304.419 1.790 0 40 DDAB O=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)C1CC1 245180751 ZJGCOJZQKMHUPM-LBPRGKRZSA-N 316.448 1.451 0 40 DDAB CN([C@@H]1CCN(c2ncnc3cc(F)ccc23)C1)S(C)(=O)=O 1888864033 XGFOUKUILMQIGG-LLVKDONJSA-N 324.381 1.239 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC[C@@H](c3ncon3)C2)cc1 245180681 ZGJQGIBPTBWANG-GFCCVEGCSA-N 301.302 1.486 0 40 DDAB COc1ccc(C(=O)N2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1 2037985563 NXOBXZYVABPTBT-ZFWWWQNUSA-N 318.373 1.015 0 40 DDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(Cc2ccco2)C1 2055771589 KMSYJGKRWCXBOP-MRXNPFEDSA-N 302.378 1.556 0 40 DDAB O=C(NC1CCCC1)C(=O)N1CCN(Cc2ccccc2)CC1 23105348 BHMWGJWALGUJKT-UHFFFAOYSA-N 315.417 1.390 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](OCCO)c1ccsc1 575622163 XADZJRFXKDDXCD-CYBMUJFWSA-N 323.418 1.578 0 40 DDAB O=C([C@@H]1CCc2ccccc2O1)N1CC(Nc2cccnn2)C1 618256628 VCHMIHHSRTUPPZ-HNNXBMFYSA-N 310.357 1.493 0 40 DDAB CCn1c(O)c(C(=O)NC[C@@H]2CCCO2)c(=O)c2ccccc21 5686884 XGYFPNJAOHJSOJ-NSHDSACASA-N 316.357 1.636 0 40 DDAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(N)=O 6849665 WSPDFLABOCRVRX-JLSDUUJJSA-N 318.417 1.849 0 40 DDAB biogenic CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 12662163 KEPMHUZELDLQCA-FOCJUVANSA-N 303.406 1.167 0 40 DDAB biogenic C[C@@H](OC(=O)c1ccc2c(c1)COC2)C(=O)NC(=O)NC1CC1 50024169 HSJALZFXCNZYPQ-SECBINFHSA-N 318.329 1.250 0 40 DDAB COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 40498640 UITIPDCYHSMATD-NWDGAFQWSA-N 311.403 1.649 0 40 DDAB CCC(=O)Nc1cccc(NCC(=O)N2CCNC2=O)c1C 31556984 NJZUNNZFPPXNLI-UHFFFAOYSA-N 304.350 1.307 0 40 DDAB O=C(Cn1nnn(-c2ccccc2)c1=O)c1cc(F)ccc1F 31764904 HCMYWCFFTWFMEW-UHFFFAOYSA-N 316.267 1.590 0 40 DDAB COc1ccc(NC=O)c(CS(=O)(=O)c2ccc(C)cc2)n1 116107 MQIQGTDCUZPDAC-UHFFFAOYSA-N 320.370 1.941 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)N1CCCC1 40528406 IKVXSFJBBRSVHN-NSHDSACASA-N 300.380 1.217 0 40 DDAB CN(Cc1c(Cl)cnn1C)S(=O)(=O)c1cccs1 20602058 PNVNCUIJQWFQHT-UHFFFAOYSA-N 305.812 1.956 0 40 DDAB COc1ccc(O)c(C(=O)c2cnn(C(=O)CCCO)c2)c1 32682199 PGQTUTDPGBCKLG-UHFFFAOYSA-N 304.302 1.241 0 40 DDAB O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@H]1CCCO1 52497697 GANXQQBIZKGMBT-CQSZACIVSA-N 319.361 1.621 0 40 DDAB CC(=O)Nc1nc(COC(=O)c2ccc(C(N)=O)cc2)cs1 32884086 KPOYNDOQYBNMBP-UHFFFAOYSA-N 319.342 1.557 0 40 DDAB CCc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)o1 42043194 WQTAKMBOYGULJX-LLVKDONJSA-N 314.407 1.386 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCn1cnc2c1c(=O)n(C)c(=O)n2C 42128781 AKBAQMQLJRLPLJ-NEPJUHHUSA-N 320.393 1.029 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccc(-c3cnco3)cc1)C2 71186303 GZKLLELWYIPYDD-UHFFFAOYSA-N 309.329 1.898 0 40 DDAB COc1ccc(CN2CCN(C(=O)c3cnns3)CC2)cc1 47623400 FULVGIXABZQRQC-UHFFFAOYSA-N 318.402 1.505 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)c1cccnc1N1CCCC1 78668654 JATBUGYSNBAOCP-QFIPXVFZSA-N 323.462 1.959 0 40 DDAB Cc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)no1 3323596 IJIBMGQWCNFAKV-UHFFFAOYSA-N 303.105 1.485 0 40 DDAB COCCN1CCCC2(CCN(Cc3cnn(C)c3)CC2)C1=O 108524326 KFYNYIZZNAQTFD-UHFFFAOYSA-N 320.437 1.271 0 40 DDAB COC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 108123060 QJUFMFFQCDOSBU-UONOGXRCSA-N 318.417 1.701 0 40 DDAB O=C(NCc1cccc2c1OCO2)N[C@H](CO)c1ccccc1 57851985 HESCMLVDBMMHLE-CQSZACIVSA-N 314.341 1.948 0 40 DDAB CNC(=O)CSc1nnc2n1CCN2c1ccc(C)cc1 9651628 MSNQGEMZSQCNEO-UHFFFAOYSA-N 303.391 1.576 0 40 DDAB CC(C)NC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 44934044 SKIFUJDORWCPRE-STQMWFEESA-N 311.426 1.452 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)cc2)C1 57318706 DWCYJJMOSLRMPM-GDBMZVCRSA-N 318.417 1.998 0 40 DDAB COCCCNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2149776 DEXMERMUGWNWOM-UHFFFAOYSA-N 305.330 1.633 0 40 DDAB biogenic O=C(CNc1ccc(F)cc1F)NC(=O)NCc1ccco1 3376904 QPLVUPCUJKWIAC-UHFFFAOYSA-N 309.272 1.996 0 40 DDAB Cc1nnc(SCC(=O)N2CCN(C)CC2)c2ccccc12 28615239 AKKHHDOJGRRZKZ-UHFFFAOYSA-N 316.430 1.804 0 40 DDAB COC(=O)N1CCC(NC(=O)N2CCc3ccccc3C2)CC1 60035798 IEQBXOZQDOWBKH-UHFFFAOYSA-N 317.389 1.985 0 40 DDAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1N 11521213 YVAXKXJJLKDYHB-SNVBAGLBSA-N 320.418 1.363 0 40 DDAB C[C@@H](OC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)NC(N)=O 46277071 SOFOBXYHBKEQGL-SNVBAGLBSA-N 324.336 1.998 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCO[C@H]2CCCC[C@H]21 46490484 JPVWCKUNZJGQGY-KGLIPLIRSA-N 313.357 1.478 0 40 DDAB COc1cccc(COCC(=O)NC[C@@H](C)N2CCOCC2)c1 46745614 WXVUYADCAQONNP-CQSZACIVSA-N 322.405 1.049 0 40 DDAB CCc1cccc(CC)c1NC(=O)CN1CCS(=O)(=O)CC1 47196916 VWFICXSNAJIANJ-UHFFFAOYSA-N 324.446 1.480 0 40 DDAB CCOC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1 3402559 QNVYSABZSKICRR-UHFFFAOYSA-N 315.709 1.535 0 40 DDAB CN(C)[C@H](CNc1cc(N2CCCC2)ncn1)c1cnn(C)c1 302873439 CRGMBYRBUJJBHA-CQSZACIVSA-N 315.425 1.525 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN1c1ccc2nnnn2n1 12919516 SOBAOAIZJSQBMZ-LBPRGKRZSA-N 309.333 1.127 0 40 DDAB Cc1cc(NS(=O)(=O)N(C)C)ccc1-n1cccc1C(=O)O 112689647 ZQRGJHKCQOIWQJ-UHFFFAOYSA-N 323.374 1.702 0 40 DDAB CCN1CCCC[C@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 65517337 QMHINHICKOOBGR-INIZCTEOSA-N 320.437 1.502 0 40 DDAB O=C(Nc1nccs1)c1ccc(CN2C(=O)CNC2=O)cc1 14159335 UNDHJJVTYARIQP-UHFFFAOYSA-N 316.342 1.447 0 40 DDAB CCCNC(=O)CN(C)C(=O)c1cncc(Br)c1 6431791 ZECNFRIBCHMLBS-UHFFFAOYSA-N 314.183 1.442 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1nc3ccccc3n1C)CC2 97201879 QWSQCLONPOHASF-UHFFFAOYSA-N 322.416 1.988 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)c1 9482432 YYYULRACYUQDQT-CYBMUJFWSA-N 305.334 1.210 0 40 DDAB COc1cc(NC(=O)CSc2cn[nH]n2)cc(OC)c1OC 7344064 FZILATGXMAFBIK-UHFFFAOYSA-N 324.362 1.561 0 40 DDAB COc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1OC 15830463 BKHJOMKEGSUHAD-JTQLQIEISA-N 309.347 1.199 0 40 DDAB O=C1CN(C(=O)CCNC(=O)c2ccco2)c2ccccc2N1 15911572 OFAVQTRBNIFLJG-UHFFFAOYSA-N 313.313 1.385 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)NCCC1=CCCCC1 29208801 LONHFQQJAQLNNF-UHFFFAOYSA-N 318.421 1.778 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)[C@H](C)CO1 69039475 GMFZOULIUZEFEX-CHWSQXEVSA-N 321.402 1.670 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCCn2cncn2)c1 71872055 AOBXSXCQKMYYTI-AWEZNQCLSA-N 302.382 1.254 0 40 DDAB CCN(C)S(=O)(=O)N1CCN(c2cccc(C)n2)C[C@@H]1C 72710472 OSABVEXAOXFIBC-ZDUSSCGKSA-N 312.439 1.097 0 40 DDAB Cc1cccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)n1 71821636 YASXIRKJSIWJEE-CQSZACIVSA-N 303.406 1.715 0 40 DDAB OCCN1CCC(CNCc2nnc(-c3ccccc3)o2)CC1 71870939 BTVUIOSQLHBIIW-UHFFFAOYSA-N 316.405 1.531 0 40 DDAB CCc1nnnn1CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 71839291 WOSLVIGWNBMZIY-CQSZACIVSA-N 315.377 1.608 0 40 DDAB CCCNC(=O)[C@H](C)N1CCN(Cc2csc(C)n2)CC1 69457513 LYXFXQJZVZJLTI-LBPRGKRZSA-N 310.467 1.484 0 40 DDAB O[C@H](CN1CCC(CNCc2cc[nH]n2)CC1)c1ccccc1 69490778 KTOZFVQMWXGKRB-GOSISDBHSA-N 314.433 1.945 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@H]1C[C@@H]1c1cccnc1)C2 71860225 FRGWSCHVHXFEON-CABCVRRESA-N 323.400 1.626 0 40 DDAB COc1ccc(C(=O)Nc2ncn(Cc3ccccn3)n2)cc1 69532866 QNOGZQDRADQOAV-UHFFFAOYSA-N 309.329 1.982 0 40 DDAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2ccc(CO)o2)cn1 83843511 PNDBYVPUOTWEPO-MLGOLLRUSA-N 305.378 1.856 0 40 DDAB O=C1NC[C@H]2CN(Cc3cccn3Cc3cccs3)CCN12 91863973 BXZVAEIVQNNIRH-AWEZNQCLSA-N 316.430 1.807 0 40 DDAB Cc1cc(C[S@](=O)[C@H](C)C(=O)NCc2cccs2)no1 69875717 OMVYUNKVQVMLNJ-CFMSYZGJSA-N 312.416 1.998 0 40 DDAB CN(CC(=O)N1CCC2(CCCCC2)CC1)S(C)(=O)=O 72081108 SYIDQJZWWHRYJF-UHFFFAOYSA-N 302.440 1.451 0 40 DDAB Cc1nc(COC(=O)c2cc(Cl)c3c(c2)OCCO3)n[nH]1 83996377 RAOBCQALSZMBRC-UHFFFAOYSA-N 309.709 1.895 0 40 DDAB Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(C(N)=O)cc1 8924895 HZONLTWSAPRTLQ-UHFFFAOYSA-N 301.298 1.713 0 40 DDAB O=C([C@H]1CCCN1C(=O)CC(F)(F)F)N1CCSCC1 84136606 LSQZPRJOHYHZOX-SECBINFHSA-N 310.341 1.505 0 40 DDAB NC1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)Cc2ccccc2C1 97019852 BEITWLZGXSPFDY-AWEZNQCLSA-N 314.307 1.008 0 40 DDAB CN(C(=O)CCN1C(=O)CCC1=O)[C@@H](CCO)c1ccccc1 95426759 ZJTPIINBDPGUDC-AWEZNQCLSA-N 318.373 1.108 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282677 ZASSMRWAJYULOJ-CYBMUJFWSA-N 301.394 1.709 0 40 DDAB O=C([C@H](O)c1ccccc1)N1CCN([C@H]2CCSC2)CC1 87494075 FIKOHCPRLOXTOD-LSDHHAIUSA-N 306.431 1.370 0 40 DDAB C[C@@]1(CO)CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 95940329 MBCNKZFKEFDBQI-KSSFIOAISA-N 316.401 1.951 0 40 DDAB CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCCO1 95959100 WDOBAMCKILQTOO-SRVKXCTJSA-N 300.424 1.228 0 40 DDAB CCN1C(=O)N[C@](C)([C@H]2CCCN(Cc3ccon3)C2)C1=O 95961661 ABSQCXNAFHRBHW-XHDPSFHLSA-N 306.366 1.217 0 40 DDAB C[C@@H](Cn1cc(Br)cn1)N[C@H]1CCC(=O)N(C)C1 95968253 ZYBBHLWTSJEMRL-ONGXEEELSA-N 315.215 1.245 0 40 DDAB CC1(C)CN(S(=O)(=O)c2csc(C(=O)O)c2)CCS1 95940695 YLURUINCHBFNCC-UHFFFAOYSA-N 321.445 1.962 0 40 DDAB CCc1nncn1CCNC(=O)c1cc(F)cc(Cl)c1O 89296468 HVRORAUACDHVLI-UHFFFAOYSA-N 312.732 1.769 0 40 DDAB CCc1nn(C)c(OC)c1CNC(=O)[C@@H](CC)N1CCCC1=O 89369896 GZZUCIREXMKMKH-CYBMUJFWSA-N 322.409 1.008 0 40 DDAB CS(=O)(=O)NCc1ccc(-c2nc(-c3ccncc3)no2)o1 89486823 UHZIHWPJOAAQTO-UHFFFAOYSA-N 320.330 1.441 0 40 DDAB Cc1nn2cccnc2c1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 89534533 AHKUDUSWBWHNEE-AGUYFDCRSA-N 313.405 1.783 0 40 DDAB COC(=O)Cn1ncc2c(N(C)[C@@H](C)C3(C)CC3)ncnc21 75108481 NBVDEBQYCMZJDG-JTQLQIEISA-N 303.366 1.624 0 40 DDAB Nc1nccnc1C(=O)NCc1cccc2c1OCCCO2 89774301 RPOQDPLBBVBRLN-UHFFFAOYSA-N 300.318 1.150 0 40 DDAB C=CC(=O)NCCC(=O)NCCOc1ccc(C(C)C)cc1 89893421 UARUWUHGMUPKON-UHFFFAOYSA-N 304.390 1.997 0 40 DDAB CCN(CC)[C@H]1CCN(C(=O)NCc2c(C)nn(C)c2C)C1 173476278 MDPOMDVCHHXSPC-AWEZNQCLSA-N 307.442 1.663 0 40 DDAB O=C1NC(=S)N/C1=C/c1cc(Br)c(O)cc1O 408718190 PDYFPRYECNQNSX-QHHAFSJGSA-N 315.148 1.206 0 40 DDAB O=C(N[C@H](C1CC1)[C@H]1COCCO1)[C@H]1CCCn2nccc21 1551782071 NZOOXDCERCKMIM-NWANDNLSSA-N 305.378 1.071 0 40 DDAB CC(C)N1C[C@H](C(=O)NCCOc2ccc(F)cc2)CC1=O 32816725 BGMOXKLFRHZUJM-GFCCVEGCSA-N 308.353 1.578 0 40 DDAB Cc1cc(C)n(-c2ccc(NC3=CC(=O)NC3)cc2C(=O)O)n1 524733911 CPXLHCCCPFQCSI-UHFFFAOYSA-N 312.329 1.613 0 40 DDAB CCc1ccc([C@@H](COC)NS(=O)(=O)c2cscn2)o1 521396201 HYACRXPIRPNNFA-SNVBAGLBSA-N 316.404 1.965 0 40 DDAB CNC(=O)c1ccc([C@H]2CCCN(C(C)=O)C2)nc1N(C)C 72352893 MKOOTECFLCXNNR-LBPRGKRZSA-N 304.394 1.233 0 40 DDAB C[C@@H](O)[C@@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)O 218767459 KHVZSDPSJOQXGX-BXUZGUMPSA-N 316.361 1.012 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 74254065 DBHFRMWPGOKRMV-GFCCVEGCSA-N 301.346 1.613 0 40 DDAB O=C(O)[C@@H](NS(=O)(=O)CC1CC1)c1ccc(Cl)cc1 567815958 LPNDONTWOUPAJM-NSHDSACASA-N 303.767 1.795 0 40 DDAB Cc1cc(C)n2c(CCN3C(=O)c4ccccc4C3=O)nnc2n1 73657845 IXJIQXQCHUOEJI-UHFFFAOYSA-N 321.340 1.580 0 40 DDAB Cc1oncc1CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 129488958 OHDRXSWFWXUYPP-KGLIPLIRSA-N 314.407 1.151 0 40 DDAB CCCN(Cc1cnn(C)c1)C(=O)Nc1ccn(CCOC)n1 77440153 OJDGDAWDYTWRHR-UHFFFAOYSA-N 320.397 1.707 0 40 DDAB C[C@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NC2CC2)C1=O 47359496 LSPAOSHFCIELAZ-OAHLLOKOSA-N 323.299 1.010 0 40 DDAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccco2)cc1OC 72227067 FRSNDYLJWQTRKO-CABCVRRESA-N 302.330 1.708 0 40 DDAB CC(C)(C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944828 IPROCAXHWUEILU-GFCCVEGCSA-N 316.398 1.721 0 40 DDAB O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1ccc(F)cc1 47080988 XAYUGQKJJWOTMJ-UHFFFAOYSA-N 315.304 1.519 0 40 DDAB O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(Cl)cc1Cl 85468783 RNOUDXVITKRMRV-LPBBDHJYSA-N 304.173 1.855 0 40 DDAB Cc1ccc(N2CCC(C(=O)N3CC[C@@H](CCN)C3)CC2)nc1 1579714921 PEBRJVORMLRLAR-OAHLLOKOSA-N 316.449 1.804 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 225407753 XHUPVKVROUVSKK-WDMOLILDSA-N 308.403 1.513 0 40 DDAB Cc1cc(C(=O)N[C@H]2C[C@H]3C(=O)Nc4ccccc4N3C2)no1 225627380 NEHRVNPXJIUVJJ-HZMBPMFUSA-N 312.329 1.312 0 40 DDAB COc1cncc(O[C@@H]2CCN(C(=O)c3ccsc3)C2)n1 225394152 PHQNLQFCPFJALH-LLVKDONJSA-N 305.359 1.840 0 40 DDAB CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)C2=CCCCC2)CC1 225479092 CYLRSBXTDOOKLM-CQSZACIVSA-N 307.438 1.544 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)N1CCCC1 96062080 HETOFARATXTWHO-CYBMUJFWSA-N 314.393 1.720 0 40 DDAB COCC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 96161362 FYEAZSUPLKWROJ-CQSZACIVSA-N 302.374 1.155 0 40 DDAB Cc1nc(C)c(COc2ccc(CC(=O)NCCO)cc2)s1 96428908 FDCYRCYXSZUZBS-UHFFFAOYSA-N 320.414 1.990 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 96219445 NGUNCXBJDSKYHW-WFASDCNBSA-N 305.382 1.240 0 40 DDAB c1cncc(CN2CCCn3cnc(Cn4cccn4)c3C2)c1 96259468 PZFRWNFRQJOPLR-UHFFFAOYSA-N 308.389 1.929 0 40 DDAB C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)Oc1cccc(F)c1 96425906 MCIGVVZYZUHKHN-JTQLQIEISA-N 305.309 1.117 0 40 DDAB O=C(c1ccnnc1)N1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 96161401 LDTXCWFBHKPOFB-MAUKXSAKSA-N 322.368 1.223 0 40 DDAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)C4CCOCC4)C[C@H]3O2)n1 96046228 IGDOAPZJUPPJOY-BFHYXJOUSA-N 320.393 1.218 0 40 DDAB COc1c(Br)c(C(=O)NC2CCCC2)nn1C 96181032 RPAAOXRKXYSBQE-UHFFFAOYSA-N 302.172 1.864 0 40 DDAB COC[C@@H]1c2c(cnn2C)CCN1Cc1ccc2c(c1)OCO2 96197711 XUYSAXNORYIPCX-CQSZACIVSA-N 315.373 1.895 0 40 DDAB Cn1nc(C(=O)NCc2nnc3ccccn23)c2ccccc21 95479018 NZEVPGWEHNAMFY-UHFFFAOYSA-N 306.329 1.546 0 40 DDAB CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O 96100873 FYBJWZAZTPFCSH-UHFFFAOYSA-N 321.764 1.708 0 40 DDAB Cc1ccc(CN2CC3(CCN(S(C)(=O)=O)C3)C2)s1 96202608 FMHBSBBQDXLPAO-UHFFFAOYSA-N 300.449 1.524 0 40 DDAB Cc1cccc(CN2CCn3c(Cn4cncn4)cnc3[C@H]2C)n1 96201281 FCFMDPRMIRSCIE-CQSZACIVSA-N 323.404 1.803 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)c1c(F)cccc1Cl 96474058 UGDVTAMSDMZJPJ-JTQLQIEISA-N 301.745 1.996 0 40 DDAB Cc1ccc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nn1 96239284 FPRLDVMMEMEOOC-MRXNPFEDSA-N 312.377 1.152 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 247831601 HMUGEOGPKYYWPS-NSHDSACASA-N 321.398 1.804 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(Cc1cccnc1OC)C2 248135006 OFWGCWBGSPVHBH-CQSZACIVSA-N 305.422 1.633 0 40 DDAB N[C@]1(C(=O)O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242463770 DKOHDDYWXPLZEM-SQWLQELKSA-N 317.366 1.408 0 40 DDAB CC(=O)N1CCN(CC(=O)N2CCCC2)C[C@@H]1c1ccccc1 257307083 SXDDJYGRZLVORP-QGZVFWFLSA-N 315.417 1.514 0 40 DDAB Cc1cc(CC2CCN(S(=O)(=O)c3cn[nH]c3)CC2)ccn1 257265635 LZQCUQJWCKJHEB-UHFFFAOYSA-N 320.418 1.757 0 40 DDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCCN2S(C)(=O)=O)n1 257282400 OTPQKOMAJNVSNZ-CYBMUJFWSA-N 321.406 1.662 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CN2CCCCCC2)n1 257253024 JXHKKDVEYSULHW-CQSZACIVSA-N 306.410 1.494 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cnc(N3CCCC3)cn2)C1 257290783 QEIARRVHHBBKTK-LBPRGKRZSA-N 310.423 1.216 0 40 DDAB C[C@]1(O)CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1cccc(F)c1 257303225 SGGSFFZLCAKPRV-HOCLYGCPSA-N 319.336 1.593 0 40 DDAB O=S(=O)(NC1CC1)c1ccc(CNC[C@H]2CCC=CO2)cc1 252490377 KRMRHEOTRQXQPR-OAHLLOKOSA-N 322.430 1.910 0 40 DDAB CCOCC(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257264772 LVZHJQGOAMWBEH-QSJFSLAZSA-N 308.422 1.803 0 40 DDAB O=C(O)[C@H](CC1CC1)NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 563795665 DOSDHMNRWTVDGJ-MELADBBJSA-N 309.387 1.715 0 40 DDAB COC[C@@H]1CN(C)C(=O)[C@H]2CCN(C(=O)C3(F)CC3)CC[C@@H]12 585108729 MPLZWVJZSFXGMY-AVGNSLFASA-N 312.385 1.078 0 40 DDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCC(=O)N1 69818138 HEIVMPLGVDXCLS-JTQLQIEISA-N 324.764 1.049 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(F)c(F)c1 48962271 BFZBYOHWZXAGNG-UHFFFAOYSA-N 320.361 1.366 0 40 DDAB CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 58405790 KTQJMMRBHHZLFJ-RDJZCZTQSA-N 316.449 1.906 0 40 DDAB O=C(C1CC1)N1CCN(c2ncnc3ccc(F)cc23)CC1 77292411 HKDJOMMIOKJPJG-UHFFFAOYSA-N 300.337 1.828 0 40 DDAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCOCC1 38832744 TWLZPPJQBHNKPL-OAHLLOKOSA-N 306.381 1.897 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)c3scnc3C)C2)nn1 1565522735 YPGYNDVEHUERBU-LLVKDONJSA-N 307.379 1.277 0 40 DDAB Cc1nsc(N2CCN(c3ccnc(N(C)C)n3)CC2)n1 78297045 BYOXPEMSSVMLGE-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB O=c1c(N2CCN(CCc3ccccc3)CC2)nccn1C1CC1 302035219 UHJIVZLNFLUGHB-UHFFFAOYSA-N 324.428 1.943 0 40 DDAB CCN(CC)CCSc1nc2ccccc2c(=O)n1OC 5219210 YKUAQDYNPXGPMR-UHFFFAOYSA-N 307.419 1.889 0 40 DDAB Cn1c(S)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 13454286 NNJJTTKODMTSKN-UHFFFAOYSA-N 324.431 1.555 0 40 DDAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C=O)CC1 13708757 CRLRFBJXKSJOMU-CQSZACIVSA-N 312.369 1.908 0 40 DDAB Cn1cccc(C(=O)NC[C@H]2CCCN2c2nccs2)c1=O 206777253 QTYKJVCQMTYUTQ-LLVKDONJSA-N 318.402 1.241 0 40 DDAB CCc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4279964 PEDQVWKOJDNFQK-GJZGRUSLSA-N 320.389 1.799 0 40 DDAB Fc1ccccc1N1CCN(Cc2nnc3n2CCC3)CC1 1888863680 SCVONPJGBFFFSU-UHFFFAOYSA-N 301.369 1.686 0 40 DDAB Cc1cnccc1O[C@H]1CCN(c2nccn(C3CC3)c2=O)C1 1889085232 LRNZEVDBCIBZFO-AWEZNQCLSA-N 312.373 1.939 0 40 DDAB CS(=O)(=O)N1CCC(NCc2ccc(Cl)cc2)CC1 30656182 UOIAEFRGKIPOBL-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB O=C(NCC1(N2CCSCC2)CCCC1)N1CCOCC1 42310057 BXTMFPVNJNBDAD-UHFFFAOYSA-N 313.467 1.390 0 40 DDAB CC(=O)OC(C)(C)C(=O)NC[C@@H](OCCO)c1ccsc1 618257558 XVKBYSPAQMCGHO-GFCCVEGCSA-N 315.391 1.256 0 40 DDAB COc1ccccc1CN1CCN(C(=O)c2ncoc2C)CC1 102760288 SHRJTYJYSJFZMN-UHFFFAOYSA-N 315.373 1.950 0 40 DDAB O=C(NCCCn1cccn1)[C@H]1CCCN(c2cnccn2)C1 30165003 UDZHWRCWBUKVCY-AWEZNQCLSA-N 314.393 1.096 0 40 DDAB O=C(NCCCn1cccn1)c1ccc(N2CCCC2=O)cc1 30171944 GDBJYVOHTPHFFF-UHFFFAOYSA-N 312.373 1.830 0 40 DDAB Cc1c(C(=O)NC2CCCCCC2)cnn1-c1ccc(=O)[nH]n1 40489725 KIPXZGWDZOUPHM-UHFFFAOYSA-N 315.377 1.717 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 31749393 MGWAZDHSNJNLLD-CYBMUJFWSA-N 308.403 1.567 0 40 DDAB O=C1CN(C(=O)Nc2ccc(Br)cc2F)CCN1 40525817 YABJOFLSMKXZAB-UHFFFAOYSA-N 316.130 1.552 0 40 DDAB CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)NC(=O)NC1=O 101054187 CJBNWTHWSXGNKZ-UHFFFAOYSA-N 316.317 1.087 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCCCC1 41297943 IKQGIDIZRUVVBQ-CYBMUJFWSA-N 321.421 1.779 0 40 DDAB COCC[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)O 52784892 GNZDETSNUWUXAM-CMPLNLGQSA-N 313.737 1.249 0 40 DDAB CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccnc1 33145173 VBVSUJBBGGONOG-UHFFFAOYSA-N 311.407 1.151 0 40 DDAB Cc1cc(C(=O)NCCNC(=O)C(C)C)c2c(C)noc2n1 22097907 VCRJNIXFNCFFNM-UHFFFAOYSA-N 304.350 1.342 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NCc1ccc2c(c1)OCCO2 53533294 KRTRYTGJHCGUCO-UHFFFAOYSA-N 316.361 1.533 0 40 DDAB Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](C(N)=O)C3)s2)o1 53894659 YTYIOSGSYPUCAV-SNVBAGLBSA-N 319.386 1.967 0 40 DDAB O=C1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CCN1 22967929 OSRGHNMRHKPNFO-UHFFFAOYSA-N 323.352 1.511 0 40 DDAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)N(C)C 555685 HUYURYUXSVKJCM-CYBMUJFWSA-N 305.403 1.576 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1cccnc1 1481402 APIXWBSELYKOII-CYBMUJFWSA-N 303.318 1.532 0 40 DDAB COc1cccc(NC(=O)c2cnc(SC)n(C)c2=O)c1 4376220 FLASZCLRMLJCFH-UHFFFAOYSA-N 305.359 1.763 0 40 DDAB C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN(C)C)nn1 4504513 OHGIJASVRJKUBP-NSHDSACASA-N 305.357 1.318 0 40 DDAB O=C1SCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4815884 MABKNRCSDAHHRS-SKDRFNHKSA-N 322.361 1.327 0 40 DDAB O=C(NC(=S)c1cccnc1)N(CCO)c1ccccc1 6896666 HPEJNNQFHPDZTC-UHFFFAOYSA-N 301.371 1.966 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C[C@@H](O)Cn2cccn2)c1 106844456 NQJVMAPEGHRPMM-HZPDHXFCSA-N 303.410 1.304 0 40 DDAB O=C(NCc1ccc(F)cc1)[C@@H]1CSCN1C(=O)C1CC1 35197819 VQBLEIOHVSXAJR-ZDUSSCGKSA-N 308.378 1.753 0 40 DDAB O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 37793289 WUTZSCPHVZKDEV-SFYZADRCSA-N 304.224 1.682 0 40 DDAB Cc1nc(C2=C(O)CN(CCN3CCOCC3)C2=N)sc1C 102717457 CFJWLXPIBCCSAU-UHFFFAOYSA-N 322.434 1.654 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 57727861 VLPVXCMDLPALII-TXEJJXNPSA-N 309.410 1.602 0 40 DDAB Cc1ccc(C(=O)NCC(=O)N2CCN(C3CC3)CC2)s1 58023367 OZPVIDNURIICOF-UHFFFAOYSA-N 307.419 1.093 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1F 58183246 YJUXAVTVXYVRSO-SSDOTTSWSA-N 322.308 1.660 0 40 DDAB COC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 44868900 GQQWLDVGFRRYQQ-UHFFFAOYSA-N 313.357 1.898 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 58223583 IWFAATASWYSZBX-GJZGRUSLSA-N 316.401 1.897 0 40 DDAB Cc1cc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)no1 44970733 SRFTUNDLEDEEQR-VIFPVBQESA-N 306.288 1.989 0 40 DDAB CCn1cnnc1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 44942391 KFHBCSHHMSJAFF-GFCCVEGCSA-N 306.753 1.571 0 40 DDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1cccc(F)c1 45138624 BBKATSMSFZAEFM-SNVBAGLBSA-N 317.386 1.125 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCc1cc[nH]n1 48277794 LMKCZVLRHOMKLU-UHFFFAOYSA-N 302.334 1.523 0 40 DDAB Cc1ccc(CN(C(=O)NCc2nnc3n2CCC3)C2CC2)o1 45387370 YRZHUNUNJZOVTO-UHFFFAOYSA-N 315.377 2.000 0 40 DDAB CN(C[C@H]1CCCO1)C(=O)C1CCN(C(=O)c2ccoc2)CC1 58963361 CIRBOJAYBGZLFM-OAHLLOKOSA-N 320.389 1.769 0 40 DDAB COc1ccc(C(=O)NCc2nnc3n2CCCCC3)c(O)c1 45827493 OAAJGFOWSZHKHJ-UHFFFAOYSA-N 316.361 1.649 0 40 DDAB Cc1noc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 45803429 WSGKUOAHQCNLSE-VXGBXAGGSA-N 322.409 1.226 0 40 DDAB C[C@@H]1COCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 46259039 AQENQBGBKRQKFT-CYBMUJFWSA-N 313.357 1.153 0 40 DDAB COC(=O)c1cn(C2CCN(CCc3ccccn3)CC2)nn1 97376362 PQSGLKHZDJGCAZ-UHFFFAOYSA-N 315.377 1.339 0 40 DDAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc(O)c1 24671941 AFKNGHZKARADIB-VQHPVUNQSA-N 304.342 1.610 0 40 DDAB Cc1nc2c(C#N)cnn2c(C)c1CC/C(O)=N/S(C)(=O)=O 48480431 DQVDBDDJCWBNBC-UHFFFAOYSA-N 321.362 1.067 0 40 DDAB CCOCCCNC(=O)Nc1ccc(CC(=O)N(C)C)cc1 48442567 OXFQYKLWQVMLRA-UHFFFAOYSA-N 307.394 1.865 0 40 DDAB COc1cc(Cl)cc(C(=O)N2CCN3CCN(C)C[C@H]3C2)c1 65385017 FEFDVIQVJOPGDJ-AWEZNQCLSA-N 323.824 1.420 0 40 DDAB Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)NC(=O)CO3)n1 12902038 PTSQKCOPHPTRFP-UHFFFAOYSA-N 314.345 1.860 0 40 DDAB C[C@H](C(N)=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12983111 YBWJTMCIWATAFP-LLVKDONJSA-N 318.373 1.226 0 40 DDAB COc1ccc(OC)c(-n2c(S)nnc2-c2ccn[nH]2)c1 13598695 QDKYXTWQMVNYSQ-UHFFFAOYSA-N 303.347 1.963 0 40 DDAB CCCc1ccc(NC(=O)CSc2nnc(C)n2N)cc1 27642881 YZUAVTGJISYNDK-UHFFFAOYSA-N 305.407 1.984 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)COc1ccccc1 65474366 GJPHEZAGPJOVCS-CQSZACIVSA-N 318.421 1.324 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)NCCN(C)CC)CC1=O 65405987 FJPGDITZMCNZNY-OAHLLOKOSA-N 317.433 1.670 0 40 DDAB Cc1c(C)n(CCCN(C)C)c2ncnc(NCCCO)c12 5347070 YUWXUMWNJCHFLH-UHFFFAOYSA-N 305.426 1.794 0 40 DDAB Cn1c(=O)n(CN2CCN(c3ccccn3)CC2)c2ccccc21 14138155 AEUXKZMMSWCDOD-UHFFFAOYSA-N 323.400 1.515 0 40 DDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cnccn1 14196528 QNMHTVNTHNYJTM-UHFFFAOYSA-N 304.737 1.807 0 40 DDAB O=C(O)CSCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 14113258 AFGUFEASOFCUCV-UHFFFAOYSA-N 316.342 1.427 0 40 DDAB Cc1cccc(CN2CCN(c3ncnc4c3cnn4C)CC2)c1 14231847 IPMMTOICRBNPAA-UHFFFAOYSA-N 322.416 1.994 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Nc2ccc(OC)cc2)CC1 84733461 LXFBJSKDLQPZDA-AWEZNQCLSA-N 307.394 1.616 0 40 DDAB COCCN1CC[C@]2(CNC[C@@H]2c2cn(C(C)C)cn2)C1=O 306138332 RUZRURCTXWTVMB-CZUORRHYSA-N 306.410 1.016 0 40 DDAB CNC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 7038917 HTEJVBHGLKZOHZ-UHFFFAOYSA-N 312.435 1.643 0 40 DDAB CCCn1c(=O)n(CC(=O)NCC(F)(F)F)c2ccccc21 7025747 AWPWRZUCCRFMGT-UHFFFAOYSA-N 315.295 1.892 0 40 DDAB O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(O)(CO)CC1 67540608 ZSPDOWWEFAOYMB-UHFFFAOYSA-N 300.358 1.641 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 68125134 BPEZCKSQDOHKSI-PWSUYJOCSA-N 304.394 1.875 0 40 DDAB CC(=O)c1cccc(O[C@H](C)C(=O)NCCCn2cncn2)c1 68787221 KOBKYHSPTQNACI-CYBMUJFWSA-N 316.361 1.455 0 40 DDAB O=C(CSc1nnnn1C1CC1)Nc1ccc2c(c1)OCO2 8071868 KWKKJEHAWSULKO-UHFFFAOYSA-N 319.346 1.468 0 40 DDAB O=C(OCCN1CCCCCC1=O)c1ccn2cncc2c1 95463420 TXLLKCIQMTZFBG-UHFFFAOYSA-N 301.346 1.894 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1 69349699 ZZNIBPBLWXOPFJ-SNVBAGLBSA-N 320.780 1.780 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cn1 69349321 RTLHMJHHXOLGSN-CYBMUJFWSA-N 305.403 1.528 0 40 DDAB COC(=O)C1CCN(C(=O)COc2cccc(C(C)=O)c2)CC1 69415861 UZMFIZQAZKIFJH-UHFFFAOYSA-N 319.357 1.680 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)c2csc(S(N)(=O)=O)c2)o1 69489551 RUAPSMIEUBNXNX-MRVPVSSYSA-N 314.388 1.788 0 40 DDAB Cc1cn2nc(N3CCN(Cc4nccn4C)CC3)sc2n1 69444554 FWWFPAZNDUULOK-UHFFFAOYSA-N 317.422 1.155 0 40 DDAB COC[C@H]1CN(C(=O)[C@@]2(N(C)C)CCc3ccccc32)CCO1 95401345 JTQWMYYNVGZZNY-CRAIPNDOSA-N 318.417 1.264 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 69518244 COFMYXWJVPSBTM-CQSZACIVSA-N 316.405 1.880 0 40 DDAB Cc1ccccc1CC(=O)N1CCN([C@H]2C[C@H](C)OC2=O)CC1 71851712 KBWKQWGSZKYTHX-HOCLYGCPSA-N 316.401 1.386 0 40 DDAB COC(=O)Nc1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 69704600 JTYRUCYTQMXISD-LLVKDONJSA-N 308.334 1.491 0 40 DDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnccn1 17968071 UNLQZWSOEUXHAV-UHFFFAOYSA-N 324.262 1.605 0 40 DDAB CS(=O)(=O)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 69848870 KKOZBYXRNRDPLV-ZJUUUORDSA-N 318.192 1.628 0 40 DDAB CCN1CCO[C@@H](CNCc2cccc3c2OCCCO3)C1 69967275 FHHLZSMITZBVAP-HNNXBMFYSA-N 306.406 1.658 0 40 DDAB COC[C@H]1CN(C(=O)c2ncccc2C(F)(F)F)CCO1 92470036 LLRCIRWRMUVPQL-SECBINFHSA-N 304.268 1.588 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)OCC3CC3)C2)n1 72235555 DUHJDGKUWLYHJD-NHYWBVRUSA-N 306.410 1.874 0 40 DDAB CC(=O)NCC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 84290988 BLPHTCMIKWEXOM-LLVKDONJSA-N 300.362 1.494 0 40 DDAB Cc1nccc(N2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)n1 97136654 UCDRTIDPMOPOSR-OAHLLOKOSA-N 315.421 1.973 0 40 DDAB CCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999066 UBMQAYYGHUGXSE-AWEZNQCLSA-N 322.430 1.780 0 40 DDAB C[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)Cn1cccn1 95996175 QQBSKWINMSEOPP-PMPSAXMXSA-N 319.453 1.645 0 40 DDAB COC(=O)C1(C(=O)NCc2cn(-c3ccccc3)nc2C)CC1 95944587 NPCDGLRDWKOGAD-UHFFFAOYSA-N 313.357 1.750 0 40 DDAB CN(C)[C@H]1CCC[C@@H](NC(=O)NCCOc2cccnc2)C1 89314010 QXZWOXDBDRDGKF-KGLIPLIRSA-N 306.410 1.632 0 40 DDAB COC(=O)[C@H](C)[C@@H](NC(=O)Cn1ccnc1)c1ccccc1 86232247 UTGJDAGJNAJNEN-IUODEOHRSA-N 301.346 1.550 0 40 DDAB O=C1CC[C@@H](CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)N1 75138463 DSDVCBNNEKZFOP-DZGCQCFKSA-N 318.373 1.253 0 40 DDAB COC(=O)c1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)s1 89920434 PEWJCHZTMDVJQH-DGCLKSJQSA-N 322.430 1.835 0 40 DDAB CCNC(=O)N1CC[C@@H](NC(=O)NCCc2cccc(C)c2)C1 89977441 FOYQIVCEOKLUBQ-OAHLLOKOSA-N 318.421 1.641 0 40 DDAB Cc1csc([C@@H](NC(=O)N[C@@H]2CCN(C)C2=O)C2CC2)n1 76087909 DZPLYAOLMMGWOH-MNOVXSKESA-N 308.407 1.433 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-n2cnnc2)n1 21721138 CTAMWISWEYMILP-UHFFFAOYSA-N 323.312 1.686 0 40 DDAB COc1ccc([C@H](NC(=O)NCc2noc(C)n2)C2CC2)cn1 527776533 BBDUEIGDIDVEQQ-CQSZACIVSA-N 317.349 1.732 0 40 DDAB CCOC(=O)[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 217998962 JVPMPPWJNOMAAA-YPMHNXCESA-N 317.794 1.394 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccncc1 79495584 AIFISAAALBSFBJ-UHFFFAOYSA-N 308.341 1.220 0 40 DDAB CCO[C@H](C)c1noc(CNC(=O)c2ccc3[nH]cnc3c2)n1 75159030 MMHXNRBLZQQJNK-SECBINFHSA-N 315.333 1.973 0 40 DDAB CCOC(=O)C(F)(F)[S@@](=O)c1nc2ccccc2n1C 217576768 QSVJYLYRPVVZQJ-FQEVSTJZSA-N 302.302 1.837 0 40 DDAB COC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 79051389 YXGPLCUEAWMXIS-MNOVXSKESA-N 322.327 1.282 0 40 DDAB CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)Cn2cnnn2)n1 46087520 QRJGHWHWCMAFBC-GHMZBOCLSA-N 319.369 1.323 0 40 DDAB CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)NS(C)(=O)=O 81408000 GBXSEFSUCQRALH-RISCZKNCSA-N 310.419 1.460 0 40 DDAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NS(C)(=O)=O)n2)C1 195568208 QWBCHKULMRBINZ-NXEZZACHSA-N 303.453 1.993 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@H](C)C1 194009202 ACRJSZSXUDYHHX-CHWSQXEVSA-N 301.390 1.695 0 40 DDAB COCCNS(=O)(=O)c1cc(C)c(Br)cc1C 48044563 FEHCCRCDVZPGGY-UHFFFAOYSA-N 322.224 1.991 0 40 DDAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(C)=O 222746438 YDLACGLXNAUOOE-CQSZACIVSA-N 306.406 1.966 0 40 DDAB C[C@H](NC(=O)c1cc(NC(=O)C2CC2)n(C)n1)c1ccncc1 46089095 JYGNAMJWXJYAFP-JTQLQIEISA-N 313.361 1.655 0 40 DDAB C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)C1 225750496 NPTGFTORAVIEFC-DZGCQCFKSA-N 324.446 1.878 0 40 DDAB COc1ccc(CN2CCC(C(=O)NC(C)(C)CO)CC2)cc1 199419540 HNCHKNUBMGBQHZ-UHFFFAOYSA-N 320.433 1.794 0 40 DDAB O=C(NC1CCCCC1)N1CCN(C[C@H](O)c2ccco2)CC1 85466836 VOJXFQSMSPTOAL-HNNXBMFYSA-N 321.421 1.973 0 40 DDAB O=C(NCCn1c(=O)oc2ccccc21)NC[C@@H]1CC[C@H](O)C1 195578287 HJGNOQCEQXBMOW-NEPJUHHUSA-N 319.361 1.055 0 40 DDAB COc1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)nn1 96432423 BNNUQJYWUZCHHK-UHFFFAOYSA-N 302.309 1.721 0 40 DDAB COCCCNC(=O)[C@H](C)N1CCN(c2ccc(C)cn2)CC1 96429405 DRNTYEDWTIECSL-HNNXBMFYSA-N 320.437 1.053 0 40 DDAB CC(C)NC(=O)[C@H]1CN(Cc2nccs2)CC12CCOCC2 96052096 PEFGURDFOWEWAW-CYBMUJFWSA-N 323.462 1.896 0 40 DDAB CCC(=O)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076546 HTNGPSXJDKVKHD-INIZCTEOSA-N 304.394 1.332 0 40 DDAB O=C(CNC(=O)N1CCc2ccccc2C1)N[C@@H]1CC=CCC1 96412789 UOQWKVYGNGPRLZ-MRXNPFEDSA-N 313.401 1.979 0 40 DDAB Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H]1CCN(C)C1=O 96415940 UOYZLWIMEFXPCR-ZDUSSCGKSA-N 313.361 1.533 0 40 DDAB CNC[C@@H]1CCCN1S(=O)(=O)c1cn[nH]c1C(C)(C)C 97234999 OEVZOHHXDBRQRB-JTQLQIEISA-N 300.428 1.080 0 40 DDAB O=S1(=O)CC[C@@H](N(Cc2cn3ccccc3n2)C2CC2)C1 96405527 ACRRBVZTZRAACJ-CQSZACIVSA-N 305.403 1.486 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCc1cccc(C)c1 244221174 VZXUQAYOHBPBSF-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB CS(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccc(F)c3)[C@H]2C1 247499297 FAESYMQFHBMSGH-CQDKDKBSSA-N 313.394 1.705 0 40 DDAB CC(=O)N1CC2(CCN(Cc3nccn3C)CC2)C[C@]1(C)CO 257324465 WOUDQVTWVFDDKX-MRXNPFEDSA-N 320.437 1.006 0 40 DDAB Cc1ccnc([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 257251926 JSWFXRNAQFFYPG-ZDUSSCGKSA-N 300.362 1.948 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1 257259880 LALPIDZCKOMXFW-JTQLQIEISA-N 318.830 1.191 0 40 DDAB Cc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257316974 VHTUXXFDQHHBNV-IIAWOOMASA-N 324.446 1.261 0 40 DDAB Nc1cc(CC[C@@H]2CN(Cc3nccs3)CCO2)ccn1 257210162 BTMKFCHJMKEJIH-CYBMUJFWSA-N 304.419 1.954 0 40 DDAB CN1C(=O)CO[C@H]2CCN(C(=O)CCc3cccs3)CC[C@@H]21 257330144 XNANWECTWVHJIQ-KBPBESRZSA-N 322.430 1.529 0 40 DDAB Cc1ccn(CCC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)n1 257294006 QSAPXRJFGFGZET-CQSZACIVSA-N 315.377 1.159 0 40 DDAB O=S(=O)(N1CCCC1)N1CCC[C@@H]1CCc1ccncc1 257271162 MXCNRNRRVNVLKX-OAHLLOKOSA-N 309.435 1.819 0 40 DDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406479 XNRHYYZCRBQLRH-KGLIPLIRSA-N 318.373 1.257 0 40 DDAB CCc1ccccc1S(=O)(=O)N(C)[C@@H]1CCC(=O)N(C)C1 585141795 FYLUMIOXHBCYNO-CYBMUJFWSA-N 310.419 1.490 0 40 DDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@H]3C2)cs1 585107610 RGVIPPWOBULVJV-ZIAGYGMSSA-N 316.430 1.984 0 40 DDAB COc1cc(CCC(=O)N2CC(=O)Nc3c(F)cccc32)on1 585141679 FCZUDKMJOCMGCH-UHFFFAOYSA-N 319.292 1.740 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1Cc1ccc(OC)c(F)c1 585279085 SQKZNABURUDVNI-KRWDZBQOSA-N 324.396 1.951 0 40 DDAB O=C(CN1CCC[C@H]1CN1CCCCC1)NC[C@@H]1CCCO1 69600371 NKMHGOZLPOCUOJ-HOTGVXAUSA-N 309.454 1.232 0 40 DDAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)NC(N)=O 51528656 ICQXGNGWDXXQQC-SNVBAGLBSA-N 306.366 1.068 0 40 DDAB CCOc1cccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 55768370 PIRJIAXAYIZPNH-UHFFFAOYSA-N 317.345 1.342 0 40 DDAB CCc1ccc(O)c(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1 91980796 MHEDXVGMUAJLTC-OAHLLOKOSA-N 318.417 1.891 0 40 DDAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@H](O)c1ccccc1 95438662 AVLCSWMKNMPRAJ-KBPBESRZSA-N 320.320 1.192 0 40 DDAB CCOC(=O)C1(O)CCN(C(=O)c2ccc(Cl)s2)CC1 95960879 MZXAZWYYGHLZQL-UHFFFAOYSA-N 317.794 1.932 0 40 DDAB Cc1cccc(NC(=O)N2CCN(c3ccnc(C)n3)CC2)n1 97142694 ZKCZRFQOZGWNKT-UHFFFAOYSA-N 312.377 1.843 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCSC[C@@H]2CO)cc1 95461961 OEBDJZDYLOJSLQ-NSHDSACASA-N 317.432 1.184 0 40 DDAB CCN1C(=O)CN(C(C)=O)C(=O)/C1=C\c1ccc(OC)cc1 12858819 HWTWFWZMQROPBL-NTEUORMPSA-N 302.330 1.273 0 40 DDAB C[C@H](NNC(=S)N1CC2CCC(CC2)C1)c1cccc[n+]1[O-] 16940183 VWLKNIUNCSGXHP-HSBZDZAISA-N 320.462 1.882 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1onc2c1CCCC2 585149588 ITIIKDNWYYNPSD-CMPLNLGQSA-N 305.378 1.900 0 40 DDAB CCSCC(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056225235 KSTPHCSKPLWVBF-GJZGRUSLSA-N 321.446 1.246 0 40 DDAB Cc1noc(C)c1CN1C[C@@]2(COCCN(C(C)C)C2)CC1=O 1273914029 FNSVFZPOTFQCQP-QGZVFWFLSA-N 321.421 1.751 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(OC)no1)C2 1146935679 YTSWMRRCHAHJPW-IUODEOHRSA-N 310.350 1.341 0 40 DDAB O=C(NC1CCC1)[C@H](CCO)n1cc(-c2ccccc2)nn1 2086988547 JGAYATCYLPPFSC-HNNXBMFYSA-N 300.362 1.537 0 40 DDAB COc1cc(N2CCN(c3ncnc4[nH]ccc34)CC2=O)ccn1 2087022438 HBGOPPQMOMPPOT-UHFFFAOYSA-N 324.344 1.215 0 40 DDAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 2710907 VWKRLMFBGUWAGA-UWVGGRQHSA-N 324.377 1.321 0 40 DDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(c2ncccn2)CC1 15679276 ZEFSNOBUUQOABE-UHFFFAOYSA-N 324.344 1.422 0 40 DDAB CN1CC[C@H](NC(=O)COc2cc(Cl)cc(Cl)c2)C1=O 96431191 HEIFELBETBILOO-NSHDSACASA-N 317.172 1.719 0 40 DDAB CCOC(=O)c1s/c(=N/C(=O)c2ccnn2C)n(C)c1C 101335268 HTCXDSQCACOZFH-FYWRMAATSA-N 308.363 1.046 0 40 DDAB CC(=O)NCCNC(=O)c1sc(-c2ccc(C)o2)nc1C 31211358 YVKHISLZNPGRRK-UHFFFAOYSA-N 307.375 1.886 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cnn(C)c2)C1 40539657 HLJAHBMIVCIBEZ-CHWSQXEVSA-N 314.455 1.066 0 40 DDAB CC1CCN(CCNC(=O)CCNC(=O)c2cccs2)CC1 40534665 KULNGLDRWOJTNW-UHFFFAOYSA-N 323.462 1.716 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1 40511016 ZXPWYESPEYRMHY-NSHDSACASA-N 302.334 1.312 0 40 DDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2c[nH]ccc2=O)C1=O 40513481 GMHBOFXZORZTOH-JTQLQIEISA-N 313.313 1.128 0 40 DDAB O=C1N[C@@]2(CCSC2)C(=O)N1CCOc1cccc(F)c1 32319736 MHZUFQDZYANFRA-CQSZACIVSA-N 310.350 1.632 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 102688424 WYHMLJNHFVVVQG-RDBQEKCUSA-N 301.273 1.109 0 40 DDAB COc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC 502398 CWWQMLWFHLRTHL-UHFFFAOYSA-N 308.378 1.630 0 40 DDAB COCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 53782625 XAMLXSMRVZVHFZ-UHFFFAOYSA-N 324.421 1.476 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC 91627 HGKAESOYUDDHBK-CYBMUJFWSA-N 300.318 1.749 0 40 DDAB CCN(CC)CCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 47339618 UCDCUFDKLJTEIM-UHFFFAOYSA-N 311.470 1.729 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 9051759 WVKIRKFBGOPNLO-NSHDSACASA-N 309.753 1.999 0 40 DDAB CON(C)C(=O)CSc1nnc(C)n1-c1ccccc1C 78879582 OTSOIOYPLAPBHP-UHFFFAOYSA-N 306.391 1.996 0 40 DDAB Cc1cc(C)c2c(CC(=O)NCc3cc(=O)[nH]cn3)coc2c1 23429021 HDBMLXVXDOSCBD-UHFFFAOYSA-N 311.341 1.992 0 40 DDAB COc1cc(OC)cc(N2CC[C@H](NCc3cc[nH]n3)C2)c1 78996563 WGFHSFMJISZWDT-ZDUSSCGKSA-N 302.378 1.795 0 40 DDAB Cc1noc(CCCNC(=O)NC[C@@](C)(O)c2ccc(C)o2)n1 78941122 DOLVAKZWHJXBBO-OAHLLOKOSA-N 322.365 1.419 0 40 DDAB COC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCS1 23640404 APGNEAWQEZXPKC-LBPRGKRZSA-N 319.386 1.014 0 40 DDAB O=C(C1CC1)N1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 24597555 NIHPONXZZANETL-OAHLLOKOSA-N 308.809 1.928 0 40 DDAB O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1nncs1 43128248 QOBBSFLMVKQTCY-UHFFFAOYSA-N 317.374 1.987 0 40 DDAB NC(=O)[C@@H]1C[C@@H](O)CN1Cc1coc(-c2cccc(Cl)c2)n1 106585385 HLVPSPFDIVYARU-OLZOCXBDSA-N 321.764 1.416 0 40 DDAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10323986 DDIFSLISVBPHIV-QWRGUYRKSA-N 310.419 1.926 0 40 DDAB CC[C@H]1CN(Cc2cn3ccccc3n2)CCN1C[C@H](C)O 106906695 DDOKKJJBJLGXJR-HOCLYGCPSA-N 302.422 1.611 0 40 DDAB O=C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 61992809 KSXPIFJRASXCCC-UHFFFAOYSA-N 311.385 1.718 0 40 DDAB biogenic Cc1noc(C)c1CN1CC[C@@H](N2CCCC2)C[C@H]1C(=O)O 107779229 KMVILEHQMGKYTH-HIFRSBDPSA-N 307.394 1.805 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 107316610 UPJVUAIPOUDVAY-LSDHHAIUSA-N 322.430 1.284 0 40 DDAB CC[C@@H](CO)NCc1ccc(OCC(=O)NC(C)(C)C)cc1 8326368 JXNMKMQNWHNMOY-AWEZNQCLSA-N 308.422 1.841 0 40 DDAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)on1 27380927 KSQATGBMKQAUPI-SNVBAGLBSA-N 323.374 1.464 0 40 DDAB O=C(NCc1ccccn1)C(=O)NCc1ccccc1Cl 9858246 RLTOWJFLGVVNGH-UHFFFAOYSA-N 303.749 1.668 0 40 DDAB COc1ccc(CCNC(=O)C(=O)NCc2cccs2)cc1 9915001 KRIIUFOOSDEUMJ-UHFFFAOYSA-N 318.398 1.732 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)o1 44895541 MHHZFXSROYDAOE-JTQLQIEISA-N 305.334 1.083 0 40 DDAB CC(=O)N1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1 44870869 JTALAQPIEAAFFN-UHFFFAOYSA-N 318.299 1.029 0 40 DDAB Cc1cc(NC(=O)NCc2ccc(CS(N)(=O)=O)cc2)no1 44890937 CTCILWPYZSGCNF-UHFFFAOYSA-N 324.362 1.093 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCCOc1ncccc1Cl 84647107 SRXDINRBJSQLFI-LLVKDONJSA-N 323.784 1.698 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1-n1cccn1 48151139 FNYKPROJLWQSFK-GFCCVEGCSA-N 315.377 1.909 0 40 DDAB COc1ccc(S[C@H](C)C(=O)N2CCN(C=O)CC2)cc1 20035993 MLMYUEFBNASROG-GFCCVEGCSA-N 308.403 1.476 0 40 DDAB CCCCc1ccc(NC(=O)CNC(=O)CNC(C)=O)cc1 48237556 MWCJCJFQRCGKPH-UHFFFAOYSA-N 305.378 1.220 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1cc(C)cc(C)c1 58358003 ZEQLYEBQIKTOMB-HNNXBMFYSA-N 318.417 1.918 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1 22829959 CJJCUNVVAXEEOC-INIZCTEOSA-N 319.449 1.516 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1ccccc1F 27992414 YTOLSSRMJMIUSL-UHFFFAOYSA-N 315.304 1.936 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1nc(C)c(C)s1 84765862 GPBDIBONTMKILL-UHFFFAOYSA-N 319.452 1.249 0 40 DDAB NC(=O)c1ccnc(N2CCN(Cc3cccc(O)c3)CC2)c1 95403157 QOAHSCZPQUFZON-UHFFFAOYSA-N 312.373 1.208 0 40 DDAB O=C(Nc1ccccc1C(F)(F)F)N1C[C@H](O)C[C@H]1CO 95445352 ZOQLWGLWQBLAOJ-DTWKUNHWSA-N 304.268 1.665 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)Cn1cnc2sccc2c1=O 26666376 GOEFEUGZEGDGQY-UHFFFAOYSA-N 317.374 1.447 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccncc3)CC2)CC1=O 108533240 YJGBLANHDOXRIH-UHFFFAOYSA-N 317.389 1.183 0 40 DDAB COCCCNC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 45586660 KGAGZFWVXPEEOP-AWEZNQCLSA-N 320.368 1.984 0 40 DDAB CC(C)C[C@@H](CN(C)C)NC(=O)c1ncn(-c2ccccc2)n1 95454032 PVRJXHFIYQEGPX-AWEZNQCLSA-N 315.421 1.973 0 40 DDAB COc1ccc(C(=O)OCC(=O)Nc2cc(C)n[nH]2)cc1OC 51356603 KTBCOHJODFPHSJ-UHFFFAOYSA-N 319.317 1.531 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)c1 45742034 DYGWVVVXAROMLF-NSHDSACASA-N 323.374 1.037 0 40 DDAB CONC(=O)CCNC(=O)c1cc(F)ccc1Br 48346001 NHHOJVLWQWYOTJ-UHFFFAOYSA-N 319.130 1.386 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 48342324 PMOYSSQDGUZMAM-UHFFFAOYSA-N 314.341 1.391 0 40 DDAB Cc1ccnc2nc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)nn12 46492634 RYJITNJCVYPCMK-NWDGAFQWSA-N 301.350 1.216 0 40 DDAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nn1cnnc1 2778027 HDFIQLUECMPWHS-UHFFFAOYSA-N 308.651 1.226 0 40 DDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H](O)C1 13148895 ASODUIFYPFQKBL-CABCVRRESA-N 323.389 1.094 0 40 DDAB Cc1cnn(CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 65532069 CAYSEBVQEDDYHK-ZDUSSCGKSA-N 319.386 1.226 0 40 DDAB Cc1cccc(CCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 65536942 LLPBPSOLHNTTNB-HNNXBMFYSA-N 324.446 1.325 0 40 DDAB CCn1cnnc1CNC(=O)N1CCC(CN2CCCC2)CC1 65607983 SYGFZEAANZGDJH-UHFFFAOYSA-N 320.441 1.315 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 66125818 WEODCYLREYJOOQ-LSDHHAIUSA-N 317.433 1.886 0 40 DDAB C[C@H](C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 4815165 LBOUUITVTSNRAV-SNVBAGLBSA-N 316.398 1.895 0 40 DDAB O=C(NC1=NCCS1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9471139 YSPHEWMXMVAQJJ-GFCCVEGCSA-N 316.386 1.440 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCC2(c3ccccc3)CC2)C[C@H](C)O1 71793808 JZDLVIXDEAQRGF-KBPBESRZSA-N 324.446 1.662 0 40 DDAB O=C(CCN1CCN(CCO)CC1)Nc1cccc(Cl)c1 19818233 NDXSABRRTOQDNI-UHFFFAOYSA-N 311.813 1.279 0 40 DDAB CCc1cnc(CNC(=O)N2CCNC(=O)[C@H]2C(C)C)s1 80533011 KRAZTWWQUWYSKP-GFCCVEGCSA-N 310.423 1.372 0 40 DDAB CS(=O)(=O)c1ccc(N2CCCC[C@@H]2C(=O)O)c(F)c1 16158929 ADVWBBDLQVPIER-GFCCVEGCSA-N 301.339 1.673 0 40 DDAB CCCCn1nnc(NC(=O)c2cc(OC)cc(OC)c2)n1 9584670 YWYXLRLPHKKSTJ-UHFFFAOYSA-N 305.338 1.743 0 40 DDAB COc1ccc([C@@H](NC(=O)Cn2cnnn2)c2ccccc2)cc1 7989160 RZJZIJUNDLCJNB-KRWDZBQOSA-N 323.356 1.588 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CC1 8077227 IVWBEICXBHANTM-NSHDSACASA-N 324.446 1.930 0 40 DDAB CC(C)OCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863716 SYEPGLLDINACSF-MRXNPFEDSA-N 306.406 1.289 0 40 DDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2cnn(C)c2)c1 71865979 RTTDUMUAWQIWAC-MRXNPFEDSA-N 315.421 1.939 0 40 DDAB CNC(=O)c1cccc(N2CCC[C@H](c3nc(C)no3)C2)n1 91455064 JDLJYKZZBBJTDO-NSHDSACASA-N 301.350 1.517 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)Nc2cccnc2N2CCCCC2)C1 71820799 AMHAPPYSZZGQKO-LBPRGKRZSA-N 317.393 1.411 0 40 DDAB Cc1nn(C)c(Cl)c1CN1CCO[C@H](Cn2cccn2)C1 69456259 LGKFATRFYCWRGX-LBPRGKRZSA-N 309.801 1.479 0 40 DDAB CC[C@@H](C)NC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O 8479433 HTWNYUQJPLDNLX-MRVPVSSYSA-N 305.330 1.970 0 40 DDAB biogenic COc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CC(=O)N(C)C2)cc1 69559743 LUSHVTYVALUTBF-GXTWGEPZSA-N 304.390 1.563 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)Nc2cc(C)nn2C)c1 69597143 BQJDTKHLYDGCLX-CHWSQXEVSA-N 304.398 1.411 0 40 DDAB Cn1cc([C@@H]2CCCN2Cc2cc(=O)n3ccccc3n2)cn1 69703036 NUXQKOBDHZOMED-HNNXBMFYSA-N 309.373 1.765 0 40 DDAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccn1 95434844 JSJNVMGSNOBMGB-XQQFMLRXSA-N 318.421 1.983 0 40 DDAB Cc1cccc2c(CC(=O)NS(=O)(=O)N(C)C(C)C)c[nH]c12 95401128 KCHZNSPNKHURLA-UHFFFAOYSA-N 323.418 1.720 0 40 DDAB Cc1cnc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 97082786 ZGIIBPBPTGVWJV-UHFFFAOYSA-N 321.280 1.875 0 40 DDAB O=C(CCOc1ccccc1)NCCn1cnnc1C1CC1 72290298 MJZFIAIEHKQQKX-UHFFFAOYSA-N 300.362 1.741 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N(C)C[C@H](C)C(=O)O)C2 95970481 URGQRUQGXJMFJA-JQWIXIFHSA-N 307.346 1.425 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)SC[C@@H](O)CO 75094288 FWGCEZXWSMOJFQ-SCZZXKLOSA-N 319.810 1.762 0 40 DDAB COc1ccc(-n2ccc(C(=O)N[C@H](C)CC(C)=O)n2)cc1 89894479 HRPOXLXPRZKWJG-LLVKDONJSA-N 301.346 1.978 0 40 DDAB CN1CCC[C@@H](CNC(=O)NCc2ccc3c(c2)OCO3)C1 75607220 XFGNKKYBQFVVSB-ZDUSSCGKSA-N 305.378 1.556 0 40 DDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(F)ccc1F 76065870 XIWAWDRHFKLIDQ-HNNXBMFYSA-N 318.323 1.720 0 40 DDAB CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnn(C(C)C)c2)C1 76058684 WRQQPDNYFFEPGK-OCCSQVGLSA-N 314.455 1.471 0 40 DDAB O=C(NCc1ccncc1)[C@@H]1CCC(=O)N1Cc1cccs1 72239737 MMGKBBYLMIFIPI-AWEZNQCLSA-N 315.398 1.951 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(NCc2nonc2C)nc(C)n1 72386962 LWPFWDWOJUGKLH-ZDUSSCGKSA-N 302.338 1.382 0 40 DDAB Cc1ccccc1OCCNC(=O)N1CC[C@@H](CN(C)C)C1 129665263 QURVKQVDHWWLJP-HNNXBMFYSA-N 305.422 1.967 0 40 DDAB O=C(CCc1ccccn1)N1CCC(c2nc(O)n[nH]2)CC1 536096524 SHDRZAUGIRLFEP-UHFFFAOYSA-N 301.350 1.244 0 40 DDAB CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccncc1 536949700 LUTAFCQKHIGHJH-NEPJUHHUSA-N 310.350 1.571 0 40 DDAB COc1cccc(N2CCO[C@H](C(=O)NC3CCCC3)C2)c1 72356765 IFMYWBMMBFNHTR-INIZCTEOSA-N 304.390 1.959 0 40 DDAB O=C(COc1cccc(Cl)c1)NCCn1ncccc1=O 36704689 PASOENATNZITNG-UHFFFAOYSA-N 307.737 1.092 0 40 DDAB O=C(Cc1nc2ncccn2n1)N1CCCC[C@@H]1c1cc[nH]n1 561067453 QKFIEHHMDKTHBW-GFCCVEGCSA-N 311.349 1.144 0 40 DDAB O=C(C[C@H](CN1CCCC1)C(=O)O)Nc1ccc(Cl)nc1 72402902 UWFUGUXWWOAZPO-SNVBAGLBSA-N 311.769 1.860 0 40 DDAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F 72241572 JVMZWULPNWSTDU-HUUCEWRRSA-N 308.353 1.592 0 40 DDAB CC(C)Cc1nnc(NC(=O)[C@H]2CCS(=O)(=O)C2)s1 40466510 CPHXYILQIIDQCQ-QMMMGPOBSA-N 303.409 1.110 0 40 DDAB CN(C)c1cccc(C(=O)NCCCc2cnc3ncnn3c2)c1 225641695 ZFONPONMVNPTIF-UHFFFAOYSA-N 324.388 1.553 0 40 DDAB C[C@@H]1CO[C@H](CO)CN1Cc1cnn(Cc2ccc(F)cc2)c1 225478392 JLNAMKAXDAGESW-DYVFJYSZSA-N 319.380 1.652 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)c(C)c1 224238963 NKNGKSYFIRUKBN-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB CCOc1ccc(C(=O)N2CCN(C=O)CC2)cc1OCC 225062862 FBVCZHDMZDJZON-UHFFFAOYSA-N 306.362 1.398 0 40 DDAB O=C(Cc1ccc(Cl)s1)N1CCO[C@@H](c2ncon2)C1 328674937 KGMYXCOXDPEETA-SECBINFHSA-N 313.766 1.927 0 40 DDAB COCCN1CCCN(C(=O)CCOc2ccccc2)CC1 48426306 ORUNQBRVPOKRST-UHFFFAOYSA-N 306.406 1.636 0 40 DDAB Cc1cccc(OCC(=O)N2CC[C@@H](Oc3cnccn3)C2)c1 225792899 UMVKTFXYQSBKBZ-OAHLLOKOSA-N 313.357 1.844 0 40 DDAB C[C@H]1CN(C(=O)CCOc2nn(C)c3ccccc23)C[C@H](C)O1 226865020 SJAAMTIXZZTRIW-STQMWFEESA-N 317.389 1.978 0 40 DDAB COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccc(C)cc1 87452898 JAQMYJRABWLXGK-ZDUSSCGKSA-N 304.346 1.729 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 96219450 NGUNCXBJDSKYHW-IUODEOHRSA-N 305.382 1.240 0 40 DDAB CS(=O)(=O)N[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 96185865 JOQFTRSQVDZYPL-JHJVBQTASA-N 316.448 1.029 0 40 DDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN([C@@H]3CCOC3)C2)C1 96226050 PJBJWLNKMBECRG-CZUORRHYSA-N 316.361 1.030 0 40 DDAB O=C(NC[C@@H](O)c1ccco1)c1cc2cc(F)ccc2oc1=O 96436100 MAAVXAGJFUVGOT-GFCCVEGCSA-N 317.272 1.989 0 40 DDAB c1cncc(CN2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)c1 96054379 QXOIMBZNMFOPRT-MSOLQXFVSA-N 316.449 1.062 0 40 DDAB O=C(NCCN1CCOCC1)N1CC2(CC2)c2ccccc21 96418135 AWWVRWHLDPSCHG-UHFFFAOYSA-N 301.390 1.580 0 40 DDAB O=C1CCCN1[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1 96209214 HUEQJHZWVUXFSI-SJLPKXTDSA-N 322.449 1.659 0 40 DDAB O=C(COc1ccc(-n2cccn2)nn1)NC1CCCCC1 96024981 UTZCFPVREUMUTO-UHFFFAOYSA-N 301.350 1.490 0 40 DDAB CC(=O)N1Cc2cncn2C[C@@H](COc2nccc(C)n2)C1 96218672 XHHFOEQOHRGFFL-ZDUSSCGKSA-N 301.350 1.039 0 40 DDAB CCOC[C@H]1CN(C(=O)c2cc(C)on2)Cc2ccnn2C1 96188940 YNBGEUYHYUGBHX-LBPRGKRZSA-N 304.350 1.488 0 40 DDAB Cn1cnc2c1[C@H](C(=O)NC1CC1)CN(Cc1ccsc1)C2 248008932 DCJLEAIIJOFWNW-CYBMUJFWSA-N 316.430 1.860 0 40 DDAB O=C(N1C[C@@H](O)[C@H](N2CCCC2)C1)C1(c2ccccc2)CC1 257222464 DTKFJEWFRFFMEL-HZPDHXFCSA-N 300.402 1.386 0 40 DDAB CCC(=O)N1CCC(c2cn3nccc3c(N(C)C)n2)CC1 257341205 ZJIFMONRSRBTRE-UHFFFAOYSA-N 301.394 1.911 0 40 DDAB FC(F)(F)Cn1cc(CNCCCN2CCOCC2)cn1 256051058 HNWUTFOJSRGAOQ-UHFFFAOYSA-N 306.332 1.257 0 40 DDAB COc1cc(CCC(=O)N2CC[C@H](c3[nH]ncc3C)C2)on1 257261965 LJMAQXRUIHBWBG-NSHDSACASA-N 304.350 1.663 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cn1 257311634 UKJPGJKRQVNVIU-GJZGRUSLSA-N 300.362 1.425 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257288347 PTVXLOBHDBXXES-AWEZNQCLSA-N 314.393 1.777 0 40 DDAB CS(=O)(=O)N1CCC(N2CCC[C@H]2c2ccncn2)CC1 257271147 MXBFLZQQBYCDEP-AWEZNQCLSA-N 310.423 1.038 0 40 DDAB COc1cc(CCC(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)on1 257218225 DCIHQNGUKMEVEQ-GFCCVEGCSA-N 320.349 1.247 0 40 DDAB Cc1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)no1 257236507 HCMOBSFTYSUDGW-ZIAGYGMSSA-N 306.293 1.386 0 40 DDAB CN(C)c1cccc([C@H]2CN(Cc3cnn(C)c3)CCO2)n1 257323678 WLKHGKLHSPXVGB-OAHLLOKOSA-N 301.394 1.455 0 40 DDAB Cc1cc(C)nc([C@@H]2CN(CC3(O)CCOCC3)CCO2)n1 257338514 YXUIPCJYQNPOIS-AWEZNQCLSA-N 307.394 1.008 0 40 DDAB O=C(c1ccc2ncccc2c1)N1C[C@H]2C[C@H]1CS2(=O)=O 585149150 HZSOXSNTELQOCQ-QWHCGFSZSA-N 302.355 1.246 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1cc(OC)no1)[C@@H]2C 585096718 BBBGPZKDSXFDNH-SECBINFHSA-N 321.337 1.028 0 40 DDAB NC(=O)COc1cccc(CN2CCC[C@H]2Cn2cccn2)c1 69780179 PYICEHCPUVVIML-HNNXBMFYSA-N 314.389 1.412 0 40 DDAB CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cccn1 71866702 GMHAGWPICYVFNK-QWHCGFSZSA-N 307.398 1.101 0 40 DDAB Cn1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)c2nccnc21 72393899 IQRRGJBKBCQHHQ-ZDUSSCGKSA-N 322.372 1.778 0 40 DDAB Cn1cc(CNC(=O)C2CCN(CC(F)(F)F)CC2)cn1 53410859 MBMNQNJFFKBRIV-UHFFFAOYSA-N 304.316 1.311 0 40 DDAB Cc1nc(COc2ccccc2C(=O)N2CCOCC2)no1 40481411 GQTIYAULBQPRBX-UHFFFAOYSA-N 303.318 1.429 0 40 DDAB Cn1cc([C@@](C)(O)CNC(=O)C(C)(C)c2cccs2)cn1 75093444 ONDTYTGXXNPJJH-HNNXBMFYSA-N 307.419 1.783 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125401 LKEUCAUISORDRL-LLVKDONJSA-N 312.329 1.650 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(Cc2ccon2)C1 89741317 NEEKCVIFYJROJI-AWEZNQCLSA-N 316.409 1.387 0 40 DDAB Cn1cc(CCOC(=O)c2ccccc2Cn2cncn2)cn1 95404995 MVNOAPICACJVAY-UHFFFAOYSA-N 311.345 1.459 0 40 DDAB CCOC(=O)CN(CC)C(=O)c1cnn(-c2ccccc2)c1 97497230 JCVACKVGFMKPLR-UHFFFAOYSA-N 301.346 1.898 0 40 DDAB Cc1cc(CN2CC3(CC(=O)N(Cc4ccccc4)O3)C2)no1 1549162753 VMEAHWLNJABGAA-UHFFFAOYSA-N 313.357 1.902 0 40 DDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC 11694330 WOOULYWYVQWPKD-UHFFFAOYSA-N 307.325 1.786 0 40 DDAB CCc1nn(CC(=O)NC(C)C)c(=O)c2cc3ccsc3n12 12114288 ICEPRONOXKGXJS-UHFFFAOYSA-N 318.402 1.798 0 40 DDAB C[C@H](Cn1cncn1)C(=O)N1CCc2ncc(Cl)cc2C1 12220830 PWGTZQIRWWHZRC-SNVBAGLBSA-N 305.769 1.548 0 40 DDAB CCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC 13610080 AMBIRRICYXDJFV-UHFFFAOYSA-N 310.419 1.929 0 40 DDAB CCOC(=O)/C(C)=C(\C)NCCN/C(C)=C(\C)C(=O)OCC 19312620 RLOGOKVBBUMRJS-PHEQNACWSA-N 312.410 1.880 0 40 DDAB CCN(CC)C(=O)COC(=O)c1cc(Br)c[nH]1 19357980 HBKISCLWFLPKSK-UHFFFAOYSA-N 303.156 1.802 0 40 DDAB CCC(=O)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576443 JFKZAFFWPFWITJ-JKSUJKDBSA-N 321.417 1.752 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888844309 TYUDADGXTJFGTH-STQMWFEESA-N 322.434 1.072 0 40 DDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)N3CCOCC3)C2)nc1 1889136045 NLSLWTMXGFIYFO-AWEZNQCLSA-N 319.409 1.138 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cc(-c2ccco2)n[nH]1 238870552 MUKGUJSZCYXNKY-CYBMUJFWSA-N 314.349 1.716 0 40 DDAB COCCN1CCO[C@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@H]21 1565544984 BHYBXUPSYWAELO-HLLBOEOZSA-N 308.422 1.291 0 40 DDAB O=C(C[C@H](NCCO)C(=O)O)Nc1cccc2ccccc12 4280098 JHLAPQFCJHWPQN-AWEZNQCLSA-N 302.330 1.204 0 40 DDAB Cc1cc(=O)[nH]c(=O)n1COCCOc1ccc(Cl)cc1 4697961 LSBJTVIEPWWPPW-UHFFFAOYSA-N 310.737 1.552 0 40 DDAB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1F 5251208 OFQTXQSOSTZENZ-UHFFFAOYSA-N 304.325 1.476 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)n[nH]1 8611665 FIINQNLMIJPMOM-UHFFFAOYSA-N 309.347 1.412 0 40 DDAB c1ccc(-c2nnc3sc(-c4cccn5nnnc45)nn23)cc1 12391154 KIRBECBJZSOTPK-UHFFFAOYSA-N 320.341 1.958 0 40 DDAB Cc1cc(C)cc(OCCNC(=O)Cn2ncccc2=O)c1 38547197 KEJUWQXPVAWHPZ-UHFFFAOYSA-N 301.346 1.055 0 40 DDAB Cc1cncc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298183904 YKJDFPVIWVWQNI-UHFFFAOYSA-N 306.435 1.577 0 40 DDAB O=C(NC1CCN(CCc2ccccc2)CC1)[C@H]1CCCO1 40089141 VCQUCARGHYCDFA-QGZVFWFLSA-N 302.418 1.989 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 50246738 UNPXQOBKHARVBH-SECBINFHSA-N 308.325 1.675 0 40 DDAB O=C(Cn1nc2ccccn2c1=O)NCCC1=CCCCC1 30822452 WPLBFKFVHHHWIT-UHFFFAOYSA-N 300.362 1.503 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 40510923 BBYHBJAGEIIHKT-CHWSQXEVSA-N 300.424 1.273 0 40 DDAB Cc1ccc(-c2cc(NC(=O)CCC(=O)O)c(=O)[nH]n2)cc1 21151954 ZWPGQXULJNZHLN-UHFFFAOYSA-N 301.302 1.549 0 40 DDAB C[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1Cl 21324078 CNWHQRINSGXFFD-LLVKDONJSA-N 323.824 1.715 0 40 DDAB CCNC(=O)CSc1nc(C2CC2)nc(C)c1C(=O)OC 32752961 FOEKRXSFBDRMBF-UHFFFAOYSA-N 309.391 1.677 0 40 DDAB COc1cc(CNC(=O)Cc2ccc(OC)c(OC)c2)ccn1 32906156 JIJUJVJBYQNRPN-UHFFFAOYSA-N 316.357 1.966 0 40 DDAB O=C(COc1ccccc1)NC1CCN(c2ncccn2)CC1 32930107 VZTGVNNMECZJLO-UHFFFAOYSA-N 312.373 1.641 0 40 DDAB COc1ccc(Br)cc1/C=C1\NC(=S)NC1=O 12371064 HCYUMTVWUSXGEG-YVMONPNESA-N 313.176 1.803 0 40 DDAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1cnccc1C)C2=O 78505866 LEWHSKBOQZDOFE-UHFFFAOYSA-N 309.325 1.933 0 40 DDAB Cc1cccnc1CNC(=O)N1CCN(Cc2ccon2)CC1 78952729 GEWWYHKKWGYCLR-UHFFFAOYSA-N 315.377 1.405 0 40 DDAB CCOC(=O)[C@@]12CCC(=O)C[C@]1(O)CCC1(C2)OCCCO1 1727036 BEIFTWJQMHSNMF-LSDHHAIUSA-N 312.362 1.337 0 40 DDAB COCCN1CCN(CCC(=O)N2CCc3ccccc32)CC1 54429486 ZXDQFFYZMRDKTI-UHFFFAOYSA-N 317.433 1.230 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1 3068993 IJIKAGKSXJUBSS-CQSZACIVSA-N 324.446 1.920 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 42740231 MVVVYLHNPDFGBE-GRYCIOLGSA-N 305.465 1.602 0 40 DDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(F)cc2Br)CN1 42783187 LXGKODXVTXNVRX-WPRPVWTQSA-N 318.142 1.871 0 40 DDAB CC[C@H](CO)N1CCN(S(=O)(=O)[C@@H](C)CC(C)C)CC1 95433298 IZCYECCOOOPNFY-UONOGXRCSA-N 306.472 1.139 0 40 DDAB CCn1nc(C)c2nc(C)nc(N[C@H]3CCS(=O)(=O)C3)c21 57355787 NQIQSQGCCHESHZ-JTQLQIEISA-N 309.395 1.062 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2CCS3)cc1 24979692 PUYVFVXWRUTZSX-HNNXBMFYSA-N 304.371 1.893 0 40 DDAB CN(CCNC(=O)c1cnc2ccccn2c1=O)c1ccccc1 25143251 IUNLHGYAKXNNGT-UHFFFAOYSA-N 322.368 1.561 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(N2CCOC2=O)cc1 56767357 SFNVUWMEZRCJJS-SNVBAGLBSA-N 320.349 1.289 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H](C)O)ccc1Br 9235216 DZOIRDVFWHOYEE-MRVPVSSYSA-N 315.167 1.193 0 40 DDAB COCCCN1CN(n2cnnc2)Cn2c1nc1ccccc12 9265025 TZSDBIPOPHTGIY-UHFFFAOYSA-N 313.365 1.038 0 40 DDAB CC(C)NC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 108369296 ATNDWYCDJZEEFC-IAGOWNOFSA-N 323.481 1.619 0 40 DDAB O=C(c1ccccc1O)N1CCN(C(=O)C2CCCC2)CC1 44702767 KQLVALWYXDPKEP-UHFFFAOYSA-N 302.374 1.867 0 40 DDAB C[C@H](C(=O)NCC(F)(F)F)N(C)Cc1nnc(C2CC2)n1C 95430725 SGVXJGCZJBPTRU-MRVPVSSYSA-N 319.331 1.191 0 40 DDAB O=C(CN1CCN(c2cnccn2)CC1)N1CCc2ccccc21 44906699 JLFKCPNMIGAMFR-UHFFFAOYSA-N 323.400 1.188 0 40 DDAB COc1ccc([C@@H](NC(=O)NC[C@@H](C)O)c2nccn2C)cc1 44948510 GRGWXHZEEUVTEX-BXUZGUMPSA-N 318.377 1.198 0 40 DDAB O=C(NCc1ccccc1N1CCOCC1)c1cccc[n+]1[O-] 58423631 FVZADLTVQXBURR-UHFFFAOYSA-N 313.357 1.087 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)no1 3319443 BNPCMONBRBDBQG-UHFFFAOYSA-N 320.349 1.566 0 40 DDAB O=C1NC(=S)N(C(=O)[C@@H]2CCCO2)/C1=C/c1ccccc1 59471494 VNFGCMAUJYHXML-ZKQHCESOSA-N 302.355 1.450 0 40 DDAB Cc1sc2ncn(CC(=O)N3CCO[C@@H](C)C3)c(=O)c2c1C 11282028 OKSHJNVZROHJHE-VIFPVBQESA-N 321.402 1.322 0 40 DDAB O=C1C[C@@H](n2nnn(C3CCCCC3)c2=S)[C@H]2CO[C@H]1O2 103282291 OSLIUMOXEHSZFA-JLLWLGSASA-N 310.379 1.570 0 40 DDAB CN(C)CN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 10325945 PXXPXWKKVDGMKR-GOSISDBHSA-N 322.368 1.561 0 40 DDAB COc1ccc(Br)cc1CNCCNC[C@H](C)O 22075410 LAWKATZMBVEEBB-JTQLQIEISA-N 317.227 1.518 0 40 DDAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC(F)(F)F 3410236 FIEDUEOGAQNIMU-UHFFFAOYSA-N 319.674 1.672 0 40 DDAB CCn1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C(=O)NC)n1 2809452 MQKXMRRTUZYOPZ-UWVGGRQHSA-N 322.365 1.092 0 40 DDAB CN1CCN(c2nc(N3CCCC3)nc3c2SCCC3)CC1 9184116 COXJTFUCFVOZFM-UHFFFAOYSA-N 319.478 1.867 0 40 DDAB CCCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4045210 IDRIKTYNVGJLJT-BBRMVZONSA-N 316.357 1.763 0 40 DDAB biogenic CC(C)(C)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13726551 HNIDEBUYSNJVCP-UHFFFAOYSA-N 315.373 1.636 0 40 DDAB O=C(COCC(=O)N1CCCCCC1)NCc1ccc(F)cc1 13942261 KKYLZNPVLSQHNV-UHFFFAOYSA-N 322.380 1.861 0 40 DDAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCOCC2)C1=O 14137920 OLMSMMPTQSYHHC-GFCCVEGCSA-N 304.346 1.049 0 40 DDAB CCCCNC(=O)CCC(=O)N1CCC(C(=O)OCC)CC1 4696098 RXNKJFQTHXKPHX-UHFFFAOYSA-N 312.410 1.485 0 40 DDAB CC(C)n1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCCC3 6759741 GTZMPMHDVLILNG-UHFFFAOYSA-N 322.386 1.769 0 40 DDAB C[C@H](C(=O)N(CCO)Cc1ccccc1)N1CCSCC1 90164004 RHNPTMCVWFLOON-CQSZACIVSA-N 308.447 1.445 0 40 DDAB NC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)o1 7288998 HDTNRFJQBHJCEP-UHFFFAOYSA-N 324.387 1.838 0 40 DDAB Cc1cc(C(=O)N2CCN(CCN3CCCC3)CC2)c(C)o1 72314789 VSNCCUYAIWSJEJ-UHFFFAOYSA-N 305.422 1.750 0 40 DDAB O=C(COC(=O)[C@@H]1CCCO1)NCCc1cccc(Cl)c1 7694442 XOEXVKJDAPEQNM-ZDUSSCGKSA-N 311.765 1.721 0 40 DDAB O=C(c1cc2ccccc2[nH]c1=O)N1CCN(CC2CC2)CC1 71821589 XBHJRVRCVYQEFL-UHFFFAOYSA-N 311.385 1.696 0 40 DDAB NC(=O)NCCCOC(=O)c1ccc(Br)cc1 70039583 BXUWPZUXQQWTLI-UHFFFAOYSA-N 301.140 1.664 0 40 DDAB C[C@@H]1C[C@@H](OC(=O)c2ccc(N3CCCC3=O)cc2)C(=O)O1 8392994 WMCFFFBZALHYTQ-ZWNOBZJWSA-N 303.314 1.674 0 40 DDAB CCc1nn2c(=O)cc(CSc3ncccn3)nc2s1 8328302 AEIJCCBVXZQTIY-UHFFFAOYSA-N 305.388 1.796 0 40 DDAB C[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 8332698 NVNOKDOKWINFPU-NSHDSACASA-N 315.398 1.883 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCC[C@H](C(F)(F)F)C2)C1=O 71810536 CETFJGXAPMZJRN-JTQLQIEISA-N 321.343 1.981 0 40 DDAB Cc1nnc2n1CCN(CCCOc1ccc3c(c1)OCO3)C2 69538587 RJSAICWNYVJOLM-UHFFFAOYSA-N 316.361 1.600 0 40 DDAB COCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 71920369 CQVUGJIIKITGSP-UHFFFAOYSA-N 308.382 1.480 0 40 DDAB C[C@H](O)CN1CCC(CN(C)c2ncnc3c2CCC3)CC1 69658959 AQOJJBDTPSSLFW-ZDUSSCGKSA-N 304.438 1.494 0 40 DDAB CC(C)C[C@@H](C)n1nccc1NC(=O)[C@@H](C)S(C)(=O)=O 71903420 SKQLQQDGXOETIJ-GHMZBOCLSA-N 301.412 1.862 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@H](C)CN1CCOCC1 87037623 TVLWUESWGBMNSU-CQSZACIVSA-N 323.412 1.697 0 40 DDAB Cc1nc(CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)n[nH]1 87317233 UFIADVAWOBQEQR-LBPRGKRZSA-N 307.398 1.157 0 40 DDAB Cc1oc(CNC(=O)CNC(=O)CCC(C)C)cc1C(=O)O 95425180 LFHDZGYFIHEXAQ-UHFFFAOYSA-N 310.350 1.455 0 40 DDAB C[C@H](NC(=O)[C@@H](C)ONC(N)=O)c1ccc2c(c1)CCCC2 95972264 WTCMEIPINONCAR-WDEREUQCSA-N 305.378 1.731 0 40 DDAB Cc1noc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 85843340 HFBHZCSTFVTWOA-JTQLQIEISA-N 309.391 1.975 0 40 DDAB COc1ccc(CCNC(=O)[C@@H]2CSCN2)c(Cl)c1 75015763 UUYFHGNNLYTQIT-LBPRGKRZSA-N 300.811 1.670 0 40 DDAB CN(C[C@@H](O)C1CC1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 89880342 VGRIUMRKRUTOPG-GFCCVEGCSA-N 319.386 1.841 0 40 DDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccccc1 76056538 LROKYYPQDJJHBF-KCXAZCMYSA-N 315.417 1.450 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)/C=C/c1cccnc1)CC2 11786008 GBLIXMYTHPXDIZ-AATRIKPKSA-N 311.389 1.895 0 40 DDAB Cn1cc(I)c(COCC(F)F)n1 408716555 OGISATVGUFSOKJ-UHFFFAOYSA-N 302.062 1.806 0 40 DDAB O=C(CCC1CC1)N[C@H]1CCCC[C@H]1n1cc(C(=O)O)nn1 1551455472 NODDSLIXOKQJDE-WCQYABFASA-N 306.366 1.766 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCNCC3)O2)cc1 306143576 YFWKFUIRISIYMQ-INIZCTEOSA-N 317.433 1.064 0 40 DDAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@H]1CCCCN1 1505840703 SMXVWNBSFOVCIU-CVEARBPZSA-N 323.481 1.966 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(-n2cnnn2)c1 305120843 MLWJVRABXROACA-CVEARBPZSA-N 321.340 1.050 0 40 DDAB CC(C)[C@](C)(O)C(=O)N1CCC(O)(Cc2ccncc2)CC1 515653999 AEYNCOSUBNBKTP-INIZCTEOSA-N 306.406 1.385 0 40 DDAB C[C@H]1CCN(C(=O)Cn2nnnc2CN)c2ccccc2S1 519545863 MKEGREOGJYHRNX-JTQLQIEISA-N 318.406 1.049 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CO)C(=O)O 218415261 UGZSXEULGFAUDD-NQBHXWOUSA-N 318.778 1.304 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc(Br)c[nH]1 35181108 FGQYTIDUGQKIRR-UHFFFAOYSA-N 316.199 1.229 0 40 DDAB O=C(O)COc1cccc(CNS(=O)(=O)c2ccoc2)c1 560419499 XIXCVGPXMBLUNZ-UHFFFAOYSA-N 311.315 1.222 0 40 DDAB O=c1c2cc3c(cc2nnn1Cc1ccc(F)cc1)OCCO3 32647321 UYORPNBGTFNMCX-UHFFFAOYSA-N 313.288 1.750 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C1(CO)CO 218375557 SICUHXXZRZUCOH-RYUDHWBXSA-N 304.795 1.212 0 40 DDAB C[C@H](N)[C@@H](C)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 566104583 RGISESCURJOOML-ILXRZTDVSA-N 321.465 1.611 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n([C@@H]2CCC(C)(C)C2=O)c1 562715124 KFLYIDBBFXWSNS-LLVKDONJSA-N 312.391 1.029 0 40 DDAB CCN1CCN(CCC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 74232096 GZPYWWDYGRDCBE-YOEHRIQHSA-N 311.470 1.334 0 40 DDAB COc1ccc2[nH]cc(C(=O)NCc3ccccn3)c(=O)c2c1 41056132 SOCFNCQDHNLANG-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C(C)C 222756852 ZRIUINOVZIKAIA-AWEZNQCLSA-N 306.406 1.822 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCSC[C@H]1c1cnn(C)c1 191982706 GNWJFXRETRRIFV-AWEZNQCLSA-N 320.418 1.884 0 40 DDAB CCN1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 46417988 SBDOLMYJSZOCRZ-UHFFFAOYSA-N 315.377 1.228 0 40 DDAB COCCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226749895 ZSOJSOJFRBTLNP-AWEZNQCLSA-N 324.808 1.984 0 40 DDAB O=C1CCSC[C@H](C(=O)Nc2ccc(-n3cccn3)cc2)N1 226753160 QEVAZLMBHGBQPK-CYBMUJFWSA-N 316.386 1.433 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N(C)S(=O)(=O)C(C)C 83779434 TXPPEUWZNLHHCX-UHFFFAOYSA-N 323.365 1.634 0 40 DDAB CC[C@H](C)NC(=O)Cn1cc(COc2ccc(OC)cc2)nn1 227167810 SOXYIHGLYFDJOS-LBPRGKRZSA-N 318.377 1.780 0 40 DDAB COCCN1CCC2(CCCN(C(=O)c3cnccn3)C2)CC1 96071793 YSTONOCOODQBOF-UHFFFAOYSA-N 318.421 1.441 0 40 DDAB CC(C)N[C@H]1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1 96189779 VBLYOBIHBKFUGX-HNNXBMFYSA-N 317.433 1.326 0 40 DDAB COc1cccc(CS(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 96427702 WLWBNCAREJUIDT-AWEZNQCLSA-N 324.446 1.599 0 40 DDAB CC(C)c1nnc(CN2CCNC(=O)[C@H]2c2cccs2)o1 96443539 PWXNATQZMGBFGY-GFCCVEGCSA-N 306.391 1.928 0 40 DDAB Cn1cccc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 96454818 DBKCZAFYJIFQOW-HNNXBMFYSA-N 305.765 1.809 0 40 DDAB O=C([C@@H]1CO[C@@H]2CCN(Cc3ccco3)C[C@@H]2C1)N1CCCO1 96083213 AOVIWRQFLVRHOJ-OFQRWUPVSA-N 320.389 1.671 0 40 DDAB COCCNC(=O)[C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 96038854 BDAZUQUWOGFPIL-RRFJBIMHSA-N 324.446 1.348 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cccnc1OC)[C@H]2C 96109611 GBEPJYBTQYSUTN-NSHDSACASA-N 316.361 1.650 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)nn1 96043236 ZIWSUTBSSMKULE-YUTCNCBUSA-N 302.378 1.047 0 40 DDAB CC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 247932453 KDRNQAUYBUTLJL-AWEZNQCLSA-N 318.402 1.207 0 40 DDAB CCOC(=O)[C@@H](N)[C@]1(N2CCOCC2)C[C@H]2CC[C@@]1(C)C2(C)C 242677048 SWNZLWUXFFBWHH-KJWYOANISA-N 324.465 1.794 0 40 DDAB CCOC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242728188 YXKGGIUSXMSLIH-XQQFMLRXSA-N 303.811 1.584 0 40 DDAB Cn1ccnc1CN1CC[C@@H]2OCCN(CC3CC3)[C@@H]2CC1 248103582 FKIFHMHNOSPOFO-CVEARBPZSA-N 304.438 1.495 0 40 DDAB CNC(=O)[C@]1(CCCc2ccccn2)CCCN1C(=O)COC 257254106 KBQJHTQEWFZEFQ-KRWDZBQOSA-N 319.405 1.158 0 40 DDAB Cc1nc(-c2cc[nH]n2)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257335412 YKAUOCLSUQANHE-NSHDSACASA-N 321.406 1.314 0 40 DDAB COCCNC(=O)c1sc2nccnc2c1[C@H]1CCCNC1 257220380 DKPQJOVDNPLBLG-JTQLQIEISA-N 320.418 1.535 0 40 DDAB NCCOc1ccc(C(=O)N2CCCC[C@H]3CNCC[C@H]32)cc1 257223344 DWXVCGRABFVUQC-DOTOQJQBSA-N 317.433 1.628 0 40 DDAB Cc1cc(C[C@H]2COCCN(Cc3cn(C)cn3)C2)ncn1 257279930 OITSONWWKLUEHL-CQSZACIVSA-N 301.394 1.210 0 40 DDAB COc1ccccc1C(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 257289070 PWWASYUFJXXRBJ-CYBMUJFWSA-N 301.346 1.940 0 40 DDAB COCC[C@@H](NS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 252510282 ZGDBJXWHUNIXKM-SNVBAGLBSA-N 313.206 1.864 0 40 DDAB C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCc2[nH]nnc2C1 252492472 MNHUQPFXZBCGCZ-GHMZBOCLSA-N 318.352 1.632 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H]1c1ccncc1 299658989 QXZSVVVHVMUMIW-JSGCOSHPSA-N 300.366 1.608 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCn2nccc2C1 390826893 QUGUOOVBBSMEGB-LLVKDONJSA-N 300.318 1.748 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575403845 KVJMLJOLSFEDML-FRRDWIJNSA-N 303.362 1.271 0 40 DDAB Cc1nnc([C@@H](C)N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)o1 69608445 PBJWDNYCRLLAOJ-QLFBSQMISA-N 321.469 1.929 0 40 DDAB CC(C)N(CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CC1 76918197 ARSKVFAHMYWZAM-HNNXBMFYSA-N 321.465 1.624 0 40 DDAB C=CC(=O)NCCNC(=O)c1cccc(Br)c1C 80172721 NTNFDPKMNJTBPA-UHFFFAOYSA-N 311.179 1.790 0 40 DDAB CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCn2cccc2)C1 84440324 AZQNPZDHTDWWCU-CABCVRRESA-N 320.437 1.871 0 40 DDAB CCCCC(=O)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121050 BHAOXOQZUIXLJS-UHFFFAOYSA-N 317.437 1.916 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 97230518 UDAQWEZGJLWXDN-NSHDSACASA-N 320.817 1.993 0 40 DDAB Clc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1 116680361 ZGCDJWYUYLFBTQ-UHFFFAOYSA-N 320.780 1.983 0 40 DDAB in-vitro CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 16959223 GBVLDMZCFODZGE-CYBMUJFWSA-N 310.375 1.252 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)CCNC(=O)c2ccccc2)C1 16819047 YUCNQKXLDAOIBX-OKILXGFUSA-N 324.446 1.724 0 40 DDAB CC(C)(CO)NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193574 SUWDRHCKJXCNLG-LLVKDONJSA-N 309.341 1.001 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1 1889068345 KUTSPFGGNPISNN-JTQLQIEISA-N 315.295 1.584 0 40 DDAB CC(C)c1nsc(N2CCO[C@@H](C(=O)N3CCCC3)C2)n1 1889101442 ZEGRTUVHTPNHFV-LLVKDONJSA-N 310.423 1.489 0 40 DDAB CCOc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1 2037983631 AVWRRXYJWSYSJV-RDJZCZTQSA-N 318.417 1.764 0 40 DDAB Cc1cc(N2CCO[C@H]3CN(Cc4cncn4C)C[C@@H]32)ccn1 2056225000 PJMKEJLHMPIBCL-IRXDYDNUSA-N 313.405 1.213 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)C3(F)CC3)CC2)C1=O 1565544019 APDZYJYHOQFHTC-HNNXBMFYSA-N 312.385 1.366 0 40 DDAB O=C(c1cc[nH]c1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565550029 NBHOZLDGKDSVJL-PMPSAXMXSA-N 313.357 1.861 0 40 DDAB O=C(N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1)C1(F)CCC1 1565546526 FWJLKOCQIKCNOW-IUODEOHRSA-N 320.368 1.541 0 40 DDAB CNC(=O)Cn1c(CO)cnc1SCc1ccccc1F 9827373 QODWTMUUXYDSFM-UHFFFAOYSA-N 309.366 1.553 0 40 DDAB CN1CC2(CN(C(=O)[C@H]3CC[C@H](C)CC3)C2)c2nccnc21 2055795761 SGVDTXURLIKCPI-JOCQHMNTSA-N 300.406 1.833 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)CC2CCCC2)CC1 43979448 VACIFHBEFOSKFD-UHFFFAOYSA-N 302.440 1.355 0 40 DDAB CSCC[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)O 2108295 DROBXKHEFGPLKE-VIFPVBQESA-N 312.347 1.743 0 40 DDAB biogenic CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)o1 30568505 LFUUJHSMXPJWEN-UHFFFAOYSA-N 306.343 1.391 0 40 DDAB CC[C@H]1CN(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)CCO1 30852118 ALLVWQYGOBFHPU-OLZOCXBDSA-N 318.373 1.438 0 40 DDAB CCOC(=O)C1=C(CN(C2CC2)[C@H](C)C2CC2)NC(=O)NC1 31654879 XTICTKHWYSXIMD-SNVBAGLBSA-N 307.394 1.379 0 40 DDAB Cn1[nH]c(=O)c2c(C(=O)NCC3CCC3)cc(C3CC3)nc21 32244287 ADZYZPUUZDSGEL-UHFFFAOYSA-N 300.362 1.669 0 40 DDAB CCN1CCC[C@@H]1CNc1c(NCc2ccccc2)c(=O)c1=O 101668853 LPCLLJOATKXYLD-CQSZACIVSA-N 313.401 1.791 0 40 DDAB Cc1cnc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1N(C)C 32516122 FMWGMPIUGHOQJO-LBPRGKRZSA-N 305.426 1.910 0 40 DDAB COCCCNC(=O)CN(C)Cc1nc2ccccc2s1 32759647 IENMGTFEWQHBMM-UHFFFAOYSA-N 307.419 1.881 0 40 DDAB O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccccc1F 21821559 YKJMAGJZQWWYOB-UHFFFAOYSA-N 320.305 1.569 0 40 DDAB Cn1c(=O)c2nc(Cl)n(Cc3ccccc3)c2n(C)c1=O 390683 RVRRPZUCNBHWHH-UHFFFAOYSA-N 304.737 1.135 0 40 DDAB CNC(=O)c1cccnc1N[C@H]1CCC[C@@H](C(=O)NC(C)C)C1 78264975 BQBGETWMGVTXCO-OLZOCXBDSA-N 318.421 1.937 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCOCC2)c1C 23479842 UIKNBJHJCJVEDR-LBPRGKRZSA-N 308.378 1.712 0 40 DDAB CN1C(=O)C(=O)N(CN2CCCc3cc(F)cc(F)c32)C1=O 54487545 XSTXKMHSYSNGEP-UHFFFAOYSA-N 309.272 1.096 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)NCCCC(=O)O)ccc12 1750406 RFRPVICVZFRKIJ-UHFFFAOYSA-N 319.313 1.461 0 40 DDAB biogenic O=C(OCCCn1c(=O)[nH]c2ccccc21)C1=COCCO1 3568134 WHADESQQRWXXKH-UHFFFAOYSA-N 304.302 1.151 0 40 DDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCCO1 4354891 HNGLZPGVDVLMPF-TZMCWYRMSA-N 306.362 1.597 0 40 DDAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1C 6138278 XYWVEJSKXPIDFT-UHFFFAOYSA-N 321.406 1.122 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccsc1 24678932 RPGMHGFGWXSCEA-NSHDSACASA-N 302.421 1.292 0 40 DDAB C[C@H](Cc1ccco1)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 106054427 OFEWPMDXEVCWFY-IJLUTSLNSA-N 302.396 1.154 0 40 DDAB CCOc1ncccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 106166503 ZSLAUKWXUQWXCO-QWHCGFSZSA-N 305.378 1.073 0 40 DDAB CN(C(=O)CCS(C)(=O)=O)[C@H]1CCCN(c2ccccc2)C1 72285485 PHDYOEDHNRLGMF-HNNXBMFYSA-N 324.446 1.549 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)c(F)c1 25310321 BFFJKYYSMYAAQC-LLVKDONJSA-N 316.336 1.859 0 40 DDAB CC(=O)Nc1ccc(Cl)c(C(=O)NCCc2c[nH]cn2)c1 55575867 DLYHXTIUEKDQQJ-UHFFFAOYSA-N 306.753 1.994 0 40 DDAB Cc1cc(N[C@@H](C)CN2CCOCC2)nc(-c2ccncc2)n1 57826952 PVQUMXCRVJWSTO-AWEZNQCLSA-N 313.405 1.980 0 40 DDAB O=C(Nc1nccs1)N[C@H]1CCCc2c1cnn2CCO 44971979 ZCBGULSQHRDFNO-JTQLQIEISA-N 307.379 1.531 0 40 DDAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccn(C)c(=O)c1 44977256 FYSYIFUWYZSVEZ-WFASDCNBSA-N 311.385 1.753 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1ccccc1Cn1cccn1 44967308 LUXYIYFWXNJTMN-AWEZNQCLSA-N 314.389 1.862 0 40 DDAB Cc1cc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)on1 44952852 IUGADSMETLQGSF-UHFFFAOYSA-N 315.377 1.060 0 40 DDAB COc1ccc(F)cc1C[S@](=O)CC(=O)NCC(C)C 58307119 RBQPUUDKJVQSKI-HXUWFJFHSA-N 301.383 1.855 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2cn3ccccc3n2)C1 27968746 GHORYODRUDYYHB-CYBMUJFWSA-N 322.434 1.443 0 40 DDAB Cc1ccc(C)c(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1 27926281 ZFSCLAVBKIIFLY-UHFFFAOYSA-N 311.407 1.413 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 45074963 MWTLMLQVBGDVGW-HZPDHXFCSA-N 320.364 1.737 0 40 DDAB COc1c(CN[C@H](C(N)=O)c2ccccc2)c(C(C)C)nn1C 58411922 PWDJKJDBHLHVPV-HNNXBMFYSA-N 316.405 1.868 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)CN(C)c2cnccn2)no1 48139612 VFRJIOWULIGKSI-CYBMUJFWSA-N 301.350 1.573 0 40 DDAB O=C(O)[C@@H]1CCN(C(=O)CSc2ccc(F)c(F)c2)C1 62118984 GSTBXCUKHWLDKZ-MRVPVSSYSA-N 301.314 1.990 0 40 DDAB O=C(CCOCC(F)(F)F)Nc1ccc2c(c1)C(=O)NC2 58749068 LRKGJKHPOJHFHS-UHFFFAOYSA-N 302.252 1.838 0 40 DDAB C[C@H]1CN(CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H](C)O1 28842666 IJTYMNYOFGZXOL-RYUDHWBXSA-N 305.378 1.223 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1cc(C2CC2)nc2c1cnn2C 36616125 AFIOEPQAMLECSE-NSHDSACASA-N 324.388 1.861 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H](C)c1ccco1 25261142 UEFXCHSRZMXBHV-QMMMGPOBSA-N 301.302 1.919 0 40 DDAB Clc1ccc(CN2CCN(Cc3csnn3)CC2)nc1 97108620 PWJUZDOSBHTPBI-UHFFFAOYSA-N 309.826 1.904 0 40 DDAB O[C@H](CNCCc1nnc2ccccn12)c1ccc(F)c(F)c1 48346002 LKYWBEDYXYBIIJ-CQSZACIVSA-N 318.327 1.873 0 40 DDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccco2)n1 48339781 JROOSRKICYRFQX-UHFFFAOYSA-N 304.350 1.029 0 40 DDAB O=S(=O)(N[C@H]1CCCNC1)c1ccccc1OC(F)(F)F 71397405 JDWONWOCMVMWPA-VIFPVBQESA-N 324.324 1.616 0 40 DDAB CCOc1ccccc1NC(=O)CSc1nncc(O)n1 5009488 PDQIVGKRHHTCCG-UHFFFAOYSA-N 306.347 1.707 0 40 DDAB CC(C)CC[C@H]1CCC[C@H]1NCC(=O)NCC(=O)N1CCCC1 97105412 JGOGULDWZZZMDK-HZPDHXFCSA-N 323.481 1.920 0 40 DDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 6218250 YQZFHMQJEMSVCG-AWEZNQCLSA-N 309.753 1.999 0 40 DDAB CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC)C2)no1 65414195 IZEBAFIFKHWWBK-JTQLQIEISA-N 308.382 1.242 0 40 DDAB COc1ccnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 65531233 FMVDRRUHFYMXLM-HNNXBMFYSA-N 314.389 1.341 0 40 DDAB Cc1ccc(F)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1 14106382 RVXFQGQERFSLHD-UHFFFAOYSA-N 314.382 1.744 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(C(N)=O)c1 9458083 GDCBOGPFAKVOOH-BONVTDFDSA-N 312.325 1.953 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1C 66579903 BPKGBWGPKMRMOJ-LLVKDONJSA-N 313.375 1.239 0 40 DDAB Cn1cnnc1CCNC(=O)c1cc(-c2ccc(F)cc2)on1 84331851 FKIOUZSCIWLVGC-UHFFFAOYSA-N 315.308 1.582 0 40 DDAB COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cn1 7136441 LFDFLWYNZUTSQL-UHFFFAOYSA-N 324.340 1.518 0 40 DDAB O=C1NCCN1[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 71830552 KLPPKCUDFFSUBQ-NSHDSACASA-N 317.349 1.319 0 40 DDAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1sccc1C(N)=O 7635600 QKJZPSCIPBQSRE-MRVPVSSYSA-N 321.358 1.370 0 40 DDAB CC(C)(C)c1ncc(C(=O)NC2CCN(CC(N)=O)CC2)s1 71827303 JVPNBXXTBLBQOO-UHFFFAOYSA-N 324.450 1.120 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1ccc(C(F)(F)F)n1 71830225 JAPGYKFHHUJAKA-IUCAKERBSA-N 318.299 1.014 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCc3ccncc3)CCO2)n1 83829883 VJCHNOMXAVTKDG-ZDUSSCGKSA-N 315.377 1.295 0 40 DDAB CCC(C)(C)c1ccc(OC(=O)CNC(=O)CNC(C)=O)cc1 71913734 RYZLXMGZBOYATB-UHFFFAOYSA-N 320.389 1.532 0 40 DDAB COc1ccccc1C[C@@H](C)N(C)c1ccc(C(N)=O)nn1 91484886 LHBPTSJSEVUUET-LLVKDONJSA-N 300.362 1.652 0 40 DDAB COc1ccc(-c2nc(CN3CCC(CO)CC3)no2)cc1 69484538 BIWNXMRPFPHEIV-UHFFFAOYSA-N 303.362 1.950 0 40 DDAB CCONC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 69434426 FKHIWDGOUXKDJV-UHFFFAOYSA-N 301.228 1.362 0 40 DDAB O=C(CSc1ncn[nH]1)Nc1cccc(C(=O)NC2CC2)c1 9690522 GMOJELGZNRFKKD-UHFFFAOYSA-N 317.374 1.428 0 40 DDAB O=C(NC1CC1)[C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1 69582821 JATYIHMIBIDBSE-GOEBONIOSA-N 311.389 1.202 0 40 DDAB Cc1nccc(-c2ccccc2)c1C(=O)NC[C@@]1(O)CCNC1 72145419 DSXWGQUJULLQLJ-GOSISDBHSA-N 311.385 1.511 0 40 DDAB CC(C)N(C)CC(=O)NCc1ccccc1N1CCN(C)CC1 69895092 JYTZEFBVXVXGBD-UHFFFAOYSA-N 318.465 1.395 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306144064 YVARTRNDKJPFHO-OAHLLOKOSA-N 320.389 1.252 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n[nH]1 84111070 WRPMWXQMCRHXHQ-GFCCVEGCSA-N 303.366 1.833 0 40 DDAB C[C@@H](NC(=O)CCn1ccnc1)C1(N2CCOCC2)CCCC1 95406971 YVVHHCHWZCKLEK-OAHLLOKOSA-N 320.437 1.423 0 40 DDAB Cc1nn(-c2ccccc2)cc1C(=O)OC1CCN(C=O)CC1 97049115 UZRYANAPUCWIFQ-UHFFFAOYSA-N 313.357 1.958 0 40 DDAB CC(C)C[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)O 95427716 VSLDQOCMMMXIOP-AAEUAGOBSA-N 312.410 1.687 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCC([C@H](O)C(F)(F)F)CC1 95967093 XIIPNNURHIRLDR-QWRGUYRKSA-N 310.316 1.510 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)CC(F)F 95962170 HCFIDILUJXAXDG-GFCCVEGCSA-N 317.357 1.715 0 40 DDAB COc1ncc(Cl)c(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)n1 95970979 YBCIZZXURUCSPL-ZJUUUORDSA-N 310.785 1.443 0 40 DDAB CC[C@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 95996361 AZFIRPRPVFGTHK-WPRPVWTQSA-N 306.332 1.771 0 40 DDAB COc1cccc([C@H]2C[C@@H]2C(=O)NCc2nnc3n2CCC3)c1 89469881 SRAAFIAJBGDZGR-KGLIPLIRSA-N 312.373 1.653 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 89526095 FKSMBMVNHIYXAJ-KGLIPLIRSA-N 321.421 1.778 0 40 DDAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)CCn2cccn2)cn1 89755125 HEJBYXUITRUACL-CQSZACIVSA-N 315.377 1.271 0 40 DDAB O=C1SCC[C@@H]1NC[C@@H](O)COCc1ccc(Cl)cc1 89787926 IOAJXYYJMFLOHS-OLZOCXBDSA-N 315.822 1.839 0 40 DDAB O=C(c1cnc(C2CC2)s1)N1CCN([C@@H]2CCC[C@H]2O)CC1 75606453 BAAIPNRSZHQVEU-CHWSQXEVSA-N 321.446 1.692 0 40 DDAB C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)CC[C@H]2CCCO2)C1 110683390 VMCMEQGYJKOSQY-RBSFLKMASA-N 318.483 1.453 0 40 DDAB CCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 35982648 RQDFMQSUOSLVGO-UHFFFAOYSA-N 306.790 1.805 0 40 DDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 36614787 UGVFZGXOHQLCAL-YUMQZZPRSA-N 323.365 1.693 0 40 DDAB O=C(NCc1ccccn1)c1c(O)n2c3c(cccc3c1=O)CC2 1323121 KPQDAEJSFKANJJ-UHFFFAOYSA-N 321.336 1.588 0 40 DDAB biogenic Cc1cccnc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 36597279 DTXHVCBMMZIAPV-CYBMUJFWSA-N 324.340 1.469 0 40 DDAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(F)ccc1-n1cccn1 526988650 PPQPGOWMURXZDO-CYBMUJFWSA-N 314.364 1.978 0 40 DDAB CC(C)N1CCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 72379405 IWZSIXVDLKZNNS-ZDUSSCGKSA-N 301.394 1.976 0 40 DDAB Cc1cc(C)nc(N2CCn3c(nnc3[C@H]3CCCN3C)C2)n1 72373949 ASTMXUCTMGKHIB-CYBMUJFWSA-N 313.409 1.472 0 40 DDAB Cc1cc(C(F)(F)F)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72369979 SSKRQZDBLIXHGJ-QMMMGPOBSA-N 309.313 1.900 0 40 DDAB COC(=O)c1nnn2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12 71328533 UXWNTCWLAGLFSN-UHFFFAOYSA-N 304.693 1.525 0 40 DDAB CN1C[C@H](C(=O)Nc2ccc(-n3cc(Cl)cn3)nc2)CC1=O 72401414 BUYFRNSWPDONEO-SECBINFHSA-N 319.752 1.338 0 40 DDAB Cc1cc(C)cc(OCCC(=O)NCC(=O)Nc2cn[nH]c2)c1 69812168 ZUNOPSGAZMSEMZ-UHFFFAOYSA-N 316.361 1.550 0 40 DDAB O=C1CNC(=O)N1CCN[C@@H]1CCC[C@@H]1Cc1ccccc1 136300613 KPRXPFNQNHGYDK-HUUCEWRRSA-N 301.390 1.539 0 40 DDAB O=C(CCc1nc(-c2cccnc2)no1)NC[C@H]1CCCO1 198483361 QRMHOQKUXNXZNO-GFCCVEGCSA-N 302.334 1.359 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)NCCN(C)C)cc2)n1 130304922 MVZDCQLISIEEIY-UHFFFAOYSA-N 300.406 1.840 0 40 DDAB C[C@H]1CN(c2ncnc3c2cnn3C2CCNCC2)C[C@@H](C)O1 228939709 LLSNFRSPGSLTOB-TXEJJXNPSA-N 316.409 1.364 0 40 DDAB CN(C)CCN1CCOCC2(CCN(Cc3ccco3)CC2)C1 96239843 KWHUKBZRRWTEMZ-UHFFFAOYSA-N 321.465 1.756 0 40 DDAB CCOC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 96108663 VTXJCOBQYDNLLJ-RHSMWYFYSA-N 305.374 1.900 0 40 DDAB Cc1oc(-c2ccccc2F)nc1C(=O)N1CCCS1(=O)=O 95399605 CCROTONJSICRRZ-UHFFFAOYSA-N 324.333 1.965 0 40 DDAB Cn1nnnc1COc1ccccc1C(=O)N1CCCCC1 96101397 XIGSDGLVVVOVMP-UHFFFAOYSA-N 301.350 1.415 0 40 DDAB COCCN1CCC[C@@]2(CCN(Cc3cccc(C)n3)C2=O)C1 96224701 LIBSJZFJDFWUHT-GOSISDBHSA-N 317.433 1.851 0 40 DDAB COc1ncccc1CN1CCc2ncnc(N(C)C)c2CC1 96255394 NKGSBDHLTDFHHK-UHFFFAOYSA-N 313.405 1.547 0 40 DDAB O=C1CCCN1[C@H]1CCO[C@]2(CCN(C3CCOCC3)C2)C1 96209354 PIJYOMZWGCBBBO-DOTOQJQBSA-N 308.422 1.411 0 40 DDAB c1csc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)n1 96054343 KVGKOZALRGALRW-MJBXVCDLSA-N 309.435 1.207 0 40 DDAB Cc1ccc(CCN(CC(=O)NC(N)=O)CC(F)(F)F)cc1 96441571 DODOZOJVQMHPHZ-UHFFFAOYSA-N 317.311 1.597 0 40 DDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncccn2)n1 96081382 XZYIIDUYWKCOQK-LSDHHAIUSA-N 309.373 1.560 0 40 DDAB O=C(C[C@H]1OC[C@H]2CN(c3ncccn3)CC[C@H]21)NCC1CC1 96208635 HRDZPNMMMWZEAC-RBSFLKMASA-N 316.405 1.234 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]32)n1 96216430 SFFCZZKGKSYLSO-NWANDNLSSA-N 318.377 1.672 0 40 DDAB O=C(C1CC=CC1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247872849 MJAINXMSAHSKPV-AWEZNQCLSA-N 315.373 1.582 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2F)[C@H]1O 257275453 NPMAKPZCGHMGRL-UXIGCNINSA-N 315.316 1.340 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc(C)nc2C)n1 257306230 STJQXJXTQMAWAF-ZDUSSCGKSA-N 301.350 1.339 0 40 DDAB O=C1CCCN1CCC(=O)N1CCC[C@H](c2ccncn2)C1 257309495 UBEANFLJHZXCHE-ZDUSSCGKSA-N 302.378 1.195 0 40 DDAB O=C(CCn1nnc2ccccc21)N1CC[C@@H](c2ccn[nH]2)C1 257311265 UISNORYBHCNCOM-GFCCVEGCSA-N 310.361 1.561 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2cccnc2)n1 257305419 SPXOYOKUIOFMMS-QGZVFWFLSA-N 311.389 1.845 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(OCC(C)C)c1 342719809 CNQJNWWDHMMXDG-ZBFHGGJFSA-N 307.390 1.830 0 40 DDAB CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2cnco2)n1 257293502 QPTKGGCVUIAYCL-HNNXBMFYSA-N 301.350 1.966 0 40 DDAB COCCNC(=O)[C@]1(CCCc2cnccn2)CCCN1C 257233506 GPOSAUGMJHNNSU-INIZCTEOSA-N 306.410 1.026 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1F 257305351 SPPFRMIHOIMHJQ-KRWDZBQOSA-N 314.364 1.853 0 40 DDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cc3cccnc3)C2)n1 390828087 OMTWPKVSWDSYES-HNNXBMFYSA-N 312.373 1.711 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1ccccc1C 585287734 DAIMAFASSNIVLU-INMHGKMJSA-N 307.390 1.425 0 40 DDAB CO[C@@H]1CCN(C(=O)C2CC(O)C2)C[C@H]1Cc1ccccc1 585113435 GQANBSYWOOATBT-MNAZLIDISA-N 303.402 1.864 0 40 DDAB COC[C@@H]1CCn2cncc2CN1C(=O)c1cnc(C)cn1 585097024 GQKRKKKAHBRUJX-LBPRGKRZSA-N 301.350 1.043 0 40 DDAB CN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280549 KGKZIBQTDRNCTM-HONMWMINSA-N 319.336 1.004 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cc(C)oc1C 585094876 RMHYFUNLNMQSNR-LBPRGKRZSA-N 303.362 1.843 0 40 DDAB O=C(CCC1CC1)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551455474 NODDSLIXOKQJDE-YPMHNXCESA-N 306.366 1.766 0 40 DDAB CNC(=O)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 32903579 QPSLTJOYSWSELW-UHFFFAOYSA-N 316.188 1.987 0 40 DDAB O=C(COC1CCCC1)NCc1ccc(-n2cccn2)nc1 44408825 HZDHETZBUIAORI-UHFFFAOYSA-N 300.362 1.843 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1ccncc1 1776009529 HGGDAPOHUTYWFP-UHFFFAOYSA-N 311.370 1.705 0 40 DDAB Cc1ncnc(OCC2CCN(C(=O)c3cn[nH]c3)CC2)c1C 1565522451 QHLHHOKLPMFBTR-UHFFFAOYSA-N 315.377 1.748 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)C(C)(C)C 75157799 ALXSEVHVZXTIKD-CYBMUJFWSA-N 319.398 1.910 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N3CCOC[C@H]3C(=O)O)cc2C1 88373654 UBOATGWKARPJEY-KOLCDFICSA-N 309.387 1.799 0 40 DDAB CCN1C[C@H](C(=O)N2CCO[C@@H](c3cccs3)C2)CC1=O 89977161 YCTBCHCOHGDWDG-VXGBXAGGSA-N 308.403 1.516 0 40 DDAB CCc1ccc(CN2CCN(S(=O)(=O)N(C)C)CC2)s1 96415056 DVPQINXGXCSWTK-UHFFFAOYSA-N 317.480 1.235 0 40 DDAB CCn1nnc2c(N3CCN(c4ccccc4)CC3)ncnc21 5250430 FIPKDDHJASUHLX-UHFFFAOYSA-N 309.377 1.568 0 40 DDAB O=C(NCCn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCCO1 12188640 LUNYFWLKTHUDFN-LLVKDONJSA-N 310.737 1.543 0 40 DDAB O=C(NC1(c2ccc(Cl)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 12362032 PJVHTXOYKRGNCK-SNVBAGLBSA-N 313.806 1.880 0 40 DDAB O=S1(=O)CC[C@H](NCc2ccc(Br)cc2)C1 16769925 DTXMONMUGZGOEC-NSHDSACASA-N 304.209 1.726 0 40 DDAB O=c1[nH]/c(=C\c2ccccc2)c(=O)[nH]/c1=C\C=C/c1ccccc1 17108935 YLTIVBKUHJPOTM-ABEDGIQJSA-N 316.360 1.386 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCO[C@@H](Cn2ccnc2)C1 19372736 AXWRHFWOHJPYAU-HNNXBMFYSA-N 321.402 1.114 0 40 DDAB CCOC(=O)/C(C(=S)NC(=O)Oc1ccccc1)=C(/C)N 202568423 CXGOYMDWBHWJCX-LUAWRHEFSA-N 308.359 1.898 0 40 DDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccccc1F 643551184 MPJKAKLXKKZDSN-WBWWAXEPSA-N 323.364 1.056 0 40 DDAB Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1 5815947 XCXYDWHLCHJEBK-UHFFFAOYSA-N 301.327 1.686 0 40 DDAB Cc1ccc(OC[C@H](O)CNCCCN2CCOCC2)cc1 6936264 VQGHYFQAQLESLH-MRXNPFEDSA-N 308.422 1.047 0 40 DDAB Cc1oc(CO)cc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 10725073 KKCMPZUSDIMTOD-UHFFFAOYSA-N 318.281 1.849 0 40 DDAB CS(=O)(=O)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888870077 IWRDPQFQIYHBIX-MFKMUULPSA-N 315.370 1.056 0 40 DDAB CCc1ncnc(N2CCO[C@H](C(=O)N3CCCC3)C2)c1F 1889098688 QMPMEIOJLDLHDD-LBPRGKRZSA-N 308.357 1.006 0 40 DDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccco1 32247797 VDZYBXWBCHVFSG-OAHLLOKOSA-N 300.358 1.910 0 40 DDAB CN1CCO[C@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@@H]2C1 1565545846 QMUHHAZSMRJLSS-MFKMUULPSA-N 311.332 1.153 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c1 2710762 STGLCJIMFNALPK-GHMZBOCLSA-N 306.387 1.813 0 40 DDAB COc1cc(CNC(=O)c2cc(C(=O)O)n(C)n2)cc(OC)c1 2761671 PSHGIKQUURLIEM-UHFFFAOYSA-N 319.317 1.066 0 40 DDAB C[C@H](Cc1ccoc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 206663920 GFFATAWUNNLVCL-LLVKDONJSA-N 323.370 1.960 0 40 DDAB Cn1c(=O)c2c(NCCCc3ccccc3)ccnc2n(C)c1=O 22767828 XFVWWQWJNJAIGF-UHFFFAOYSA-N 324.384 1.677 0 40 DDAB O=C(NS(=O)(=O)c1ccccc1)[C@H]1COc2ccccc2C1 71946667 KLJCVLJLJNEJSH-CYBMUJFWSA-N 317.366 1.743 0 40 DDAB O=C1N[C@@H](CCC(=O)N2CCOCC2)C(O)=Nc2ccccc21 32106115 WFEILDMNENKADF-ZDUSSCGKSA-N 317.345 1.026 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)CCNC(=O)NC1CCCCC1 52749846 HYLJRIKIQVSPFQ-ZDUSSCGKSA-N 321.425 1.410 0 40 DDAB Cc1nc(C)c(CC(=O)NC[C@@H]2Cc3ccccc3O2)c(=O)[nH]1 31370784 DEHZPYXAWMQTJH-ZDUSSCGKSA-N 313.357 1.049 0 40 DDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCCCC3)cnc21 40490360 KBSHMHNQFFNUSG-UHFFFAOYSA-N 316.361 1.167 0 40 DDAB COC(=O)CCCNC(=S)Nc1ccc2c(c1)CCC(=O)N2 40505644 UFAIONITEFDPAA-UHFFFAOYSA-N 321.402 1.811 0 40 DDAB O=C(Cc1cccs1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 40512856 BUFIHTHHKFNJGO-HIFRSBDPSA-N 324.446 1.144 0 40 DDAB Cc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 102293725 CMFIBCBCGQEKAK-AOOOYVTPSA-N 320.374 1.126 0 40 DDAB COc1cc2[nH]c3c(=O)n(CCN(C)C)cnc3c2cc1OC 487672 RSSIOHXLVHCLQX-UHFFFAOYSA-N 316.361 1.457 0 40 DDAB biogenic CCS(=O)(=O)N1CCN(C(=O)/C=C/c2cccs2)CC1 53667100 VOOBHTWUJTXPDZ-AATRIKPKSA-N 314.432 1.255 0 40 DDAB COC[C@H](C)NC(=O)CSCC(=O)Nc1cccc(C)c1 22624257 UGHMNXFPDAIQCB-LBPRGKRZSA-N 310.419 1.818 0 40 DDAB OCCOc1ccccc1CN1CCC[C@H](N2CCOCC2)C1 22920097 IBIUSBMCFMPIOP-KRWDZBQOSA-N 320.433 1.354 0 40 DDAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C1CC1 23040438 AMGHUGHILNBJED-VIFPVBQESA-N 316.448 1.368 0 40 DDAB COc1cccc(N2CCN(c3ncnc4[nH]cnc34)CC2)c1 9059710 WZGNUVPNAWTBGF-UHFFFAOYSA-N 310.361 1.688 0 40 DDAB CN(C)S(=O)(=O)CCCn1cc(C(F)(F)F)ccc1=O 77564289 VCHKSYJRYMOKMC-UHFFFAOYSA-N 312.313 1.149 0 40 DDAB CN(C)c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 77991113 RVXJPXHYXKHIHD-ZDUSSCGKSA-N 302.296 1.892 0 40 DDAB CCS(=O)(=O)NCCCNC(=O)N(C)Cc1ccccc1 78441291 RGXQHQLGKOPZCT-UHFFFAOYSA-N 313.423 1.157 0 40 DDAB CC(=O)Nc1nc(COc2ccccc2F)nc(N(C)C)n1 1425456 PVAREUJCZFNLJS-UHFFFAOYSA-N 305.313 1.614 0 40 DDAB O=S(=O)(NC[C@@H]1CCCO1)N1CCC[C@H]1c1ccco1 78879772 LVTGMQQTHLHHRP-RYUDHWBXSA-N 300.380 1.430 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C 78965814 PPYKNSVDXRGGQP-LLVKDONJSA-N 307.398 1.213 0 40 DDAB O=C(CCc1nc(-c2ccccc2)no1)NCCc1cnc[nH]1 79502040 BIMLSEBMOLQEGE-UHFFFAOYSA-N 311.345 1.751 0 40 DDAB CCCCNC(=O)COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 3590667 HDRONQOZYZLGFP-UHFFFAOYSA-N 324.377 1.881 0 40 DDAB O=C(Cc1ccccc1)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C12CC2 4697170 DSPNXKHVYQLUJU-XRGAULLZSA-N 322.364 1.458 0 40 DDAB C[C@H]1CCCN(CCCCNC(=O)N[C@H](C)c2nncn2C)C1 106567449 BARNGQYEVHVKLE-UONOGXRCSA-N 322.457 1.687 0 40 DDAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cn2ccccc2n1 12559715 GPLKZPNDLPKKJM-UHFFFAOYSA-N 312.329 1.568 0 40 DDAB CCCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)cc1OC 56161893 DZBFCSXEPWMTQE-GHMZBOCLSA-N 323.393 1.718 0 40 DDAB Cc1ccccc1OC[C@H](C)NC(=O)N[C@H](C)c1nncn1C 56861579 MJKWPXCOJZKSBR-QWHCGFSZSA-N 317.393 1.951 0 40 DDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)C(C)C 9606238 YIZQMKFHCDXFHZ-UHFFFAOYSA-N 300.380 1.683 0 40 DDAB CCCNC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 27545075 JSNHEQISPLZELH-UHFFFAOYSA-N 319.453 1.557 0 40 DDAB O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2C(=O)[C@@H]3OC[C@H](O3)[C@@H]12 101064442 PGHKUIMAONOIHP-MMROJZCPSA-N 323.142 1.818 0 40 DDAB CCCN(CC(=O)OC)C(=O)c1ccc2c(c1)CCN2C(C)=O 58166909 CYXSPZSHMCNQIV-UHFFFAOYSA-N 318.373 1.621 0 40 DDAB C[C@H](CNC(=O)c1cccnc1N1CCOCC1)N1CCCC1 48128586 YXNMONCRWPLZLX-CQSZACIVSA-N 318.421 1.132 0 40 DDAB CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1 48104526 GBVVHAZLBWZVLS-AWEZNQCLSA-N 305.378 1.813 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H]1CCCCNC1=O 44968060 XJSGNAPFIVHVIV-GXFFZTMASA-N 323.368 1.863 0 40 DDAB O=S(=O)(NCC[C@H]1CCCO1)c1cccc2nsnc12 58406240 XVLAEJJUBIIHPJ-SECBINFHSA-N 313.404 1.539 0 40 DDAB Cc1ccc(/C=C/C(=O)NC2CCN(S(C)(=O)=O)CC2)o1 36397014 LPOGMXFHGFDZCN-AATRIKPKSA-N 312.391 1.141 0 40 DDAB CONC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 48346036 IPIGINOCNJXXRM-YFKPBYRVSA-N 307.169 1.307 0 40 DDAB COc1cccc([C@H](CN2C(=O)CNC2=O)N2CCCC2)c1 48332641 VLLJLORNXAASOP-AWEZNQCLSA-N 303.362 1.384 0 40 DDAB C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)O)C1=O 36722485 KIJHCCWQWZTUBS-LBPRGKRZSA-N 300.673 1.331 0 40 DDAB in-vitro O=C(Nc1ccc2c(c1)OCO2)c1sccc1-n1cnnn1 46894326 PPANNLOPXVUDNA-UHFFFAOYSA-N 315.314 1.705 0 40 DDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)no1 46971837 PMIAOAVHBOMBHG-ZFWWWQNUSA-N 322.409 1.378 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 84543879 AOKCURVONOVXOX-LBPRGKRZSA-N 322.405 1.681 0 40 DDAB CC(C)CCC(=O)N[C@H]1CCCc2cn(CC(=O)N(C)C)nc21 96002933 HCILSTSHVLBNRP-AWEZNQCLSA-N 320.437 1.901 0 40 DDAB CC(C)c1ccsc1C(=O)N1CCN(S(C)(=O)=O)CC1 49315370 XYGHYWKUGUAVNV-UHFFFAOYSA-N 316.448 1.589 0 40 DDAB Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1 5015377 VRXXAVNVMMLEIE-UHFFFAOYSA-N 302.330 1.513 0 40 DDAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC2(C1)OCCO2 95431917 PYEUSQXTJLQVQA-HNNXBMFYSA-N 318.417 1.872 0 40 DDAB CCN(CC)c1ccc(NC(=O)N2CCS(=O)CC2)cn1 65495919 DOEBUSMMWYQJIO-UHFFFAOYSA-N 310.423 1.524 0 40 DDAB Cc1nc(C)c(CCC(=O)NCc2ccc(F)cc2)c(=O)[nH]1 9314240 QPLCIUREMXBQCK-UHFFFAOYSA-N 303.337 1.775 0 40 DDAB CCOC(=O)N1CCC(NC(=O)C[C@@H](C)CC(=O)O)CC1 4784820 KGWLBCWPXJCAMM-SNVBAGLBSA-N 300.355 1.224 0 40 DDAB CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC(N)=O 5863830 FEMSFALQHMQIAO-SECBINFHSA-N 323.378 1.387 0 40 DDAB CN1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2)CC1 71885849 UXXVYUKFWMGQMM-KRWDZBQOSA-N 301.434 1.929 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)no1 67883449 WEYFTDQTQCMPDJ-LLVKDONJSA-N 316.361 1.649 0 40 DDAB c1ccc2sc(N3CCO[C@@H](Cn4cncn4)C3)nc2c1 71859620 NAGMBFKSXSCJIR-LLVKDONJSA-N 301.375 1.793 0 40 DDAB CC[C@H]1CC[C@@H](C)N1C(=O)Cn1nnc2ccccc2c1=O 95458856 IVZZCTSJUUQTNI-NEPJUHHUSA-N 300.362 1.581 0 40 DDAB CNC(=O)c1cccnc1N1CCN(Cc2ccccn2)CC1 83882371 NGDAIJNOYGIQPF-UHFFFAOYSA-N 311.389 1.158 0 40 DDAB CO[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H]1Cc1cnn(C)c1 306131477 KFSPXPQGGORAEW-DLBZAZTESA-N 313.401 1.821 0 40 DDAB COCCCOC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 71913749 RXJKGDCFTNXCMK-SNVBAGLBSA-N 305.396 1.876 0 40 DDAB COc1ccccc1CNC(=O)[C@]12CCC(=O)N1CCS2 8262963 TYFVGNJKRDCVRL-OAHLLOKOSA-N 306.387 1.377 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)NCC3CCC3)CC2=O)cc1 69373417 SRRQZSQTJNZCNM-HNNXBMFYSA-N 316.401 1.960 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)N1 69351646 WJGJKOYHUFXAGO-HNNXBMFYSA-N 319.380 1.139 0 40 DDAB CCn1cc(CN2CCCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 69585942 SRVMBWGDBCDOKM-INIZCTEOSA-N 319.453 1.032 0 40 DDAB COc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1OC 69589998 LCFQOUSNAOYYSE-OAHLLOKOSA-N 306.406 1.657 0 40 DDAB Cc1ncc2c(n1)CN(Cc1nc3ccccc3c(=O)[nH]1)CC2 69531947 MQYUZIJUTUIGDP-UHFFFAOYSA-N 307.357 1.580 0 40 DDAB NC(=O)c1ccc(Cn2cc(C(N)=O)c(-c3ccccc3)n2)cc1 69533454 LJPKYSVZKXVBMH-UHFFFAOYSA-N 320.352 1.796 0 40 DDAB CC(C)CS(=O)(=O)N(C)Cc1nc(-c2cccnc2)no1 84014686 JIFYFJWBRJQSRZ-UHFFFAOYSA-N 310.379 1.549 0 40 DDAB COc1ccccc1CNC(=O)CCN1C(=O)NC(C)(C)C1=O 9836724 SWVIHHQBKOCETJ-UHFFFAOYSA-N 319.361 1.032 0 40 DDAB CCOC(=O)Nc1nc2ccccc2n1CN1CCN(C)CC1 22922355 WMLYGGSMLPVFNB-UHFFFAOYSA-N 317.393 1.810 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2c2ncnc3c2cnn3C)n1 69926091 ZZYMYERJEKGMBR-CYBMUJFWSA-N 311.393 1.846 0 40 DDAB Cc1ccc(CCCC(=O)NC[C@H](O)CN2CCOCC2)cc1 84148807 NDMVQNFMYHEOFV-KRWDZBQOSA-N 320.433 1.127 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cccc3[nH]ccc23)O1 95986137 GPUYWDMNBMJJFV-IAQYHMDHSA-N 315.373 1.534 0 40 DDAB CN1CCCN(C(=O)Nc2ccccc2Cn2cncn2)CC1 97051383 PLSGKYVAASPQER-UHFFFAOYSA-N 314.393 1.496 0 40 DDAB COC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H]2C=CCCC2)CC1 97084629 GOPGOSBAJNVMMT-UKRRQHHQSA-N 308.422 1.875 0 40 DDAB O=[S@@](CCO)CCc1cc(Cl)c2c(c1)OCCCO2 97046643 XYHMFXHXYCFXSX-IBGZPJMESA-N 304.795 1.785 0 40 DDAB CC(=O)NCC(=O)NC1(c2nc(C(C)(C)C)no2)CCCCC1 97085824 VZIIEWWIYVQBQU-UHFFFAOYSA-N 322.409 1.779 0 40 DDAB CC(C)C[C@H](CO)NC(=O)Nc1cnn(CC(F)(F)F)c1 72294260 VLCUXMGRGBUPKD-SECBINFHSA-N 308.304 1.974 0 40 DDAB CC(C)[C@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCCCC1 72273713 RUQBTRQUVJVNLH-GOEBONIOSA-N 304.438 1.825 0 40 DDAB OCc1ccc(CNC[C@H](c2cccs2)N2CCOCC2)o1 72298311 TYQYNBZLSYBFMA-OAHLLOKOSA-N 322.430 1.997 0 40 DDAB Cc1cccnc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 84247955 WFZONOMCGYARIE-WMLDXEAASA-N 324.384 1.621 0 40 DDAB Cc1nc(C)c(S(=O)(=O)NCCc2ccncc2C)s1 95974280 MXTQTQSSECQHEN-UHFFFAOYSA-N 311.432 1.984 0 40 DDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 95962501 RYKGGABMWJMBGU-DTWKUNHWSA-N 301.268 1.484 0 40 DDAB Cc1cnc(N(C)C[C@@H]2CCOC2)nc1N(C)C[C@@H]1CCOC1 85689460 NXABCJIKYMXGGR-GJZGRUSLSA-N 320.437 1.730 0 40 DDAB CNC(=O)C1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 89385982 VQCWKVDWHFITTP-ZDUSSCGKSA-N 322.409 1.050 0 40 DDAB CC(C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)c2ccccc2N1 75092650 ZXJXRLVWLCHXOR-AWEZNQCLSA-N 312.373 1.877 0 40 DDAB Cn1ccc(-c2nc(C(=O)NCCCCO)c3ccccn23)c1 306138294 RUHIOFVHDSZANZ-UHFFFAOYSA-N 312.373 1.842 0 40 DDAB OCc1nnn(CCN2CCCC2)c1-c1ccc2c(c1)OCO2 62315991 FZGQEYIQELYAQV-UHFFFAOYSA-N 316.361 1.262 0 40 DDAB O=C(c1cc(N2CCCC2)ccn1)N1CC[C@@]2(CCNC2)C1 520584346 URMGCXOADJPIEG-QGZVFWFLSA-N 300.406 1.507 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 306135846 PCMRJGXOBNTQDT-VNHYZAJKSA-N 302.374 1.734 0 40 DDAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 6845200 QKTGECBOBFPOAE-JQHSSLGASA-N 318.417 1.849 0 40 DDAB biogenic COCCNc1cccc(C2CCN(S(C)(=O)=O)CC2)n1 72364903 XHBNOJJCURCLBZ-UHFFFAOYSA-N 313.423 1.279 0 40 DDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCC1)C2 72373980 RYNDNWULCVMVSS-CYBMUJFWSA-N 303.410 1.577 0 40 DDAB COC(=O)[C@@H]1CCC(=O)N(Cc2ccc(OC)c(OC)c2)C1 218290764 MXUJKILGLNFJOV-GFCCVEGCSA-N 307.346 1.615 0 40 DDAB COC(=O)C[C@@H](NC(=O)/C(C)=C(/C)C(=O)O)c1cccc(F)c1 199401758 OOZWUYWDAMDYHX-ASCRHOAZSA-N 323.320 1.967 0 40 DDAB CC(C)n1cc(NC(=O)NC[C@@H]2CCNCC2(F)F)cn1 572822904 OGRPTBMVLLKGRS-JTQLQIEISA-N 301.341 1.830 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)c2nncn2C(C)C)on1 86309597 MENZBAUQJFREMD-AOUSDQRYSA-N 311.367 1.290 0 40 DDAB CCC(=O)Nc1ccc(S(=O)(=O)N(C)c2cnccn2)cc1 330031770 CZYAOSBOMFFYDR-UHFFFAOYSA-N 320.374 1.650 0 40 DDAB CCN(c1ccccc1F)S(=O)(=O)NC(=O)CC1CC1 195576452 IGJVANGWVPNSHR-UHFFFAOYSA-N 300.355 1.813 0 40 DDAB C[C@@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)N1CCCCCC1 97380080 LWYLFEIXHOJLIQ-WFASDCNBSA-N 321.396 1.733 0 40 DDAB CCS(=O)(=O)C(Br)(Br)C(C)=O 96518496 OVJXVGSETNQPGG-UHFFFAOYSA-N 307.991 1.454 0 40 DDAB CNC(=O)c1cnc2n1CCN(C(=O)c1ccc3[nH]ccc3c1)C2 96198630 ARZJOIRMTJLHMB-UHFFFAOYSA-N 323.356 1.380 0 40 DDAB O=C(c1ccncc1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96245164 WPWFTNOHCYZLSX-HOCLYGCPSA-N 307.353 1.817 0 40 DDAB O=C(CN1CCC[C@@H]1CCCO)NCc1cc(F)cc(F)c1 96424257 NXNAPKLLKAKJJD-OAHLLOKOSA-N 312.360 1.818 0 40 DDAB COCCOC[C@@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 96441069 NAJZJONACSOPBU-GFCCVEGCSA-N 303.362 1.688 0 40 DDAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)NC(C)C)CC2 96260653 RDURHCQNAUGYEB-CYBMUJFWSA-N 307.394 1.060 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3ccn(C)n3)CC[C@H]21 257268721 MMWUKLGTVVRYHH-GOEBONIOSA-N 320.437 1.270 0 40 DDAB Cc1ccc(Nc2nccc([C@H]3CCN(C(=O)CN)C3)n2)nc1 257293829 QRILKDWXMFYMHX-LBPRGKRZSA-N 312.377 1.198 0 40 DDAB Cc1cc2nc([C@H]3CCCCN3C(=O)Cn3ccnc3)ccn2n1 257246766 IVTKXVSOKVRIFV-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB Cc1cnn(CC(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)c1 257273624 NHMBGGSOBQADSU-OAHLLOKOSA-N 313.405 1.714 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@]2(C)NCCC[C@H]12 257281921 ORMLIJAFVHGKLS-KBPBESRZSA-N 312.439 1.024 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CC[C@H](Cc3cncnc3)[C@H]2C1 257213749 CIXYIUHDABHMKP-RBSFLKMASA-N 309.373 1.608 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)CC[C@@H]1O 257221275 DOGMNQSGCWXRQC-STQMWFEESA-N 322.430 1.338 0 40 DDAB CCC(=O)N1CCC[C@H](c2cn3nccc3c(N(C)C)n2)C1 257277173 NWSXIQHTIZIRTP-LBPRGKRZSA-N 301.394 1.911 0 40 DDAB O=C(c1cncc2ccccc12)N1CCC(O)(C(=O)O)CC1 262738161 FXPAWGWBVINIHS-UHFFFAOYSA-N 300.314 1.287 0 40 DDAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(CCC(=O)O)CC1 558139831 ZNFDMBURFIJZAH-LBPRGKRZSA-N 324.421 1.785 0 40 DDAB CN1CCC[C@H](NC(=O)N2CC(=O)Nc3ccccc3C2)C1 654395211 FPRYSSWTTSNBEO-ZDUSSCGKSA-N 302.378 1.245 0 40 DDAB CCCC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 575403823 JXILIVUBRYGIJK-RBSFLKMASA-N 317.389 1.085 0 40 DDAB CC(C)C(=O)N1CC2(CC[C@H](CN3CCCCC3=O)CO2)C1 575406247 MTCCNXIMKSESEI-CQSZACIVSA-N 308.422 1.663 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccon1 585288359 XJCUJAQMQWNTDZ-BLLLJJGKSA-N 321.377 1.353 0 40 DDAB CCCCCOCC(=O)Nc1cc(C)nn1CC(=O)OCC 585141279 RZLLWRGWGGPRNC-UHFFFAOYSA-N 311.382 1.900 0 40 DDAB CCSc1nc(N2CCCCC2)c2cnn(CCN)c2n1 827427487 GCTRTPQKJIQGSQ-UHFFFAOYSA-N 306.439 1.887 0 40 DDAB O=C(NCc1cscn1)NCc1cccnc1-n1ccnc1 51311114 VBGWRDOKVTXKMK-UHFFFAOYSA-N 314.374 1.723 0 40 DDAB Cn1ccc(C(=O)NCCN2CCc3sccc3C2)cc1=O 53268090 YORZXKKCTAOXPX-UHFFFAOYSA-N 317.414 1.235 0 40 DDAB C[C@H](C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57381959 VMOJQNUTYYFWLA-SNVBAGLBSA-N 301.312 1.701 0 40 DDAB CCC(=O)NCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 95956569 GMIBWORYYLOHBT-GFCCVEGCSA-N 319.409 1.194 0 40 DDAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(N)=O)cc1 5636647 GWEKIGPUBLAGDD-LURJTMIESA-N 323.403 1.339 0 40 DDAB Cc1cn(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O 5832435 ZISBOQPINIUFKF-UHFFFAOYSA-N 303.362 1.372 0 40 DDAB O=C(c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 12176246 PYUCSZAPNWGRSV-GJZGRUSLSA-N 323.414 1.495 0 40 DDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccsc3)nc21 12242261 BACQQVUPRLCUFI-UHFFFAOYSA-N 303.347 1.357 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)[C@H]1CC(=O)N(C)C1)OCO2 12364695 BBEUTNFSGQCAKT-VIFPVBQESA-N 304.302 1.035 0 40 DDAB CCCCOC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 14674539 MCCRVOAPHMLSEQ-UHFFFAOYSA-N 321.373 1.920 0 40 DDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 16681730 SHPJKKAJVQPTAK-UHFFFAOYSA-N 314.407 1.475 0 40 DDAB CC(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 17172681 SDIDDIRZIWJEPA-NSHDSACASA-N 316.398 1.655 0 40 DDAB COc1ccccc1/C=C1/SC(=O)N(CCNC(C)=O)C1=O 17423130 MOMXTCHWIDYNPU-UKTHLTGXSA-N 320.370 1.868 0 40 DDAB Cc1cnc2c(C(=O)NCCN3CCC(C)CC3)cnn2c1 19239331 XHBRCYCSHXOKGT-UHFFFAOYSA-N 301.394 1.499 0 40 DDAB Cc1ccc2oc(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc2c1 643551194 OVNGHIJHMKHNRW-IOASZLSFSA-N 319.357 1.181 0 40 DDAB CCOc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1 22999736 MYZYKZDWIIKIJY-UHFFFAOYSA-N 312.435 1.705 0 40 DDAB NC(=O)CN1CCCC[C@@H]2[C@H]1CCCN2Cc1cscn1 643912661 DFHBRFDNMLFYAS-ZIAGYGMSSA-N 308.451 1.447 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CSc1nnnn1C1CCCC1 9593492 ZLTZVQNCFFVLDV-UHFFFAOYSA-N 321.410 1.859 0 40 DDAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(O)nn1 23100804 OCIRTTFJTUEULP-ZDUSSCGKSA-N 315.329 1.992 0 40 DDAB Nc1nc(N)nc(COC(=O)c2occc2-c2ccccc2)n1 24509493 GHFGSKYRXKRCNQ-UHFFFAOYSA-N 311.301 1.653 0 40 DDAB CN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2F)CC1 3354604 QNSIXZOXXNENFD-UHFFFAOYSA-N 304.362 1.680 0 40 DDAB O=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Cl)cc1 32652149 LCTFILOOYKEILZ-GFCCVEGCSA-N 303.811 1.570 0 40 DDAB Cc1nc(I)c2c(c1C)C(N)=NC2=N 78547449 OTSOMIWNCLWOCE-UHFFFAOYSA-N 300.103 1.347 0 40 DDAB Cc1oc(Br)cc1C(=O)N1CCO[C@@H]2CNC[C@@H]21 331399543 RZSSBQIPLMMYHK-VHSXEESVSA-N 315.167 1.163 0 40 DDAB CCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713419 MUFXTNZQWRPQKD-ZDUSSCGKSA-N 318.421 1.550 0 40 DDAB O=C(NC1CC1)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055717913 FLBXOSHZPQQZKF-JTQLQIEISA-N 302.378 1.006 0 40 DDAB COC(=O)c1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cc1 585150063 QKTIQPPIEOYSJI-ZDUSSCGKSA-N 318.329 1.140 0 40 DDAB C[C@]1(C(=O)C2=NNC[C@@H]2c2cccc(Br)c2)CO1 4898335 PSWXULULFFXBAS-ZWNOBZJWSA-N 309.163 1.850 0 40 DDAB COc1ccc(OCCSCC(=O)NC(=O)NC2CC2)cc1 50249993 HIOAIGVCTCXBKY-UHFFFAOYSA-N 324.402 1.795 0 40 DDAB C[C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)C[C@@H](C)O1 40480010 GLACKSQFTAVQIJ-HTQZYQBOSA-N 301.272 1.757 0 40 DDAB Nc1nc(N2CCN(Cc3ccccc3)CC2)c2[nH]cnc2n1 31811468 DWQKGLQZTMRDBJ-UHFFFAOYSA-N 309.377 1.257 0 40 DDAB O=c1c(CN2CCSCC2)coc(O)c1CN1CCCC1 101374021 PULOCPKWNWIEMW-UHFFFAOYSA-N 310.419 1.490 0 40 DDAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)n1cccn1 33174736 MWRGKGLTZULDHU-MNOVXSKESA-N 314.345 1.652 0 40 DDAB C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)OCCO2 21996997 WFFVCVKYUUGZDY-GFCCVEGCSA-N 314.341 1.497 0 40 DDAB CCC[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 34473 OZMXKPWCQWVTMR-QMMMGPOBSA-N 315.376 1.223 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H]1C=CS(=O)(=O)C1 12391925 OIXIFHPNDOMHKS-JTQLQIEISA-N 323.399 1.283 0 40 DDAB [O-][n+]1c2c(nn1-c1ccc(Cl)c(Cl)c1)-c1nonc1CC2 337550 CJNSVBBOHVJCLU-UHFFFAOYSA-N 324.127 1.961 0 40 DDAB O=C(Cn1nnc(-c2cccs2)n1)NCc1ccc(F)cc1 415085 YMVZZBIJGBDKFR-UHFFFAOYSA-N 317.349 1.857 0 40 DDAB COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1C 12449727 LTFBYPJUBNLIEW-UHFFFAOYSA-N 302.330 1.813 0 40 DDAB CNC(=S)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 54298883 HGHPBXJVDGHLMC-UHFFFAOYSA-N 321.490 1.851 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CCN(C)c3ccccc3C2)C1 78971200 CSPNHIMAYOFUNE-IMJJTQAJSA-N 304.390 1.251 0 40 DDAB O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCCO 79486389 NRBAVJROZZTVSW-UHFFFAOYSA-N 300.318 1.259 0 40 DDAB O=C1N[C@H](c2ccc(SC(F)F)cc2)N2CCOC[C@H]12 97081113 ZKCJQPABFCXCBH-MNOVXSKESA-N 300.330 1.831 0 40 DDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccccc2F)C1=O 2710743 VXASVSUCKJVLAD-RKDXNWHRSA-N 310.350 1.643 0 40 DDAB Cc1nc(CN2CCN(C(=O)[C@@H](C)n3cccn3)CC2)cs1 42749592 XPDPMTONNTYTTO-GFCCVEGCSA-N 319.434 1.553 0 40 DDAB COC(=O)c1cnc(NC(=O)c2cn3ccccc3n2)s1 12559374 PATYMCQOJJDPRW-UHFFFAOYSA-N 302.315 1.830 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)c3ccc4[nH]nnc4c3)cc12 24465027 BGJDKUXPYRADGW-UHFFFAOYSA-N 307.317 1.800 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]2C)ccc1Cl 43113650 AFYDOZAAHNMZHN-PSASIEDQSA-N 316.810 1.634 0 40 DDAB CN(CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 72274063 PFNLCJYZYJYSNF-HZPDHXFCSA-N 324.469 1.023 0 40 DDAB CCOCC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 72285672 YMMJOVOATJEWLR-UHFFFAOYSA-N 314.769 1.782 0 40 DDAB CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1CC 34896148 RVUIMQMPHKSOFO-RYUDHWBXSA-N 309.410 1.769 0 40 DDAB O=C(NCCc1ccco1)[C@H](Cc1ccccc1)n1cnnn1 51865824 UGBMZEQJNRIOHA-HNNXBMFYSA-N 311.345 1.409 0 40 DDAB CCCCN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 57738527 SGQWEGJMMNSBSS-LSDHHAIUSA-N 322.430 1.301 0 40 DDAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2cnn(C)c2)cc1 56041556 JHUKFRXJQXWINF-UHFFFAOYSA-N 323.374 1.027 0 40 DDAB CCCc1ncc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)s1 72296613 WDBWYMXYEPDUBQ-GFCCVEGCSA-N 317.414 1.922 0 40 DDAB Cc1ccccc1OCC(=O)OCC(=O)NC[C@@H]1CCCO1 3238460 QMZDMNWRIZQCIU-ZDUSSCGKSA-N 307.346 1.212 0 40 DDAB CNC(=O)COc1cccc(CNC(=O)NC[C@H]2C[C@@H]2C)c1 56975432 VWMOWFOOKRVQCI-WCQYABFASA-N 305.378 1.267 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)C1(c2ccccc2)CCOCC1 56976888 PYHVPKGYUJUVHP-HNNXBMFYSA-N 316.401 1.520 0 40 DDAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccco1 9915615 WMSUEXOPWLIBFN-UHFFFAOYSA-N 319.386 1.650 0 40 DDAB CC(C)CN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 57738245 FPGWLQUXMYCHDL-GJZGRUSLSA-N 322.430 1.157 0 40 DDAB CCOC(=O)CN(CC(=O)Nc1cc(C)ccc1OC)C1CC1 58172567 YMOJRZJNKBQBDX-UHFFFAOYSA-N 320.389 1.970 0 40 DDAB CNC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 44892024 MWKZQXDSEXQXRS-AWEZNQCLSA-N 322.792 1.628 0 40 DDAB C[C@H](C(N)=O)N1CCO[C@H](c2cccc(Br)c2)C1 58210589 HFINPXRMAWWZBB-SKDRFNHKSA-N 313.195 1.696 0 40 DDAB CCCNC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccco2)CC1 58294496 KSLFTWGHOZVPLH-CYBMUJFWSA-N 321.421 1.523 0 40 DDAB C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 44954150 BFIFYSSPBKJLPQ-JSGCOSHPSA-N 319.409 1.312 0 40 DDAB C[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)S(C)(=O)=O 44949650 NQFZFRDCSLRMJU-CYBMUJFWSA-N 324.446 1.678 0 40 DDAB Cc1nn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C)CC1 59843294 FEXHUBTXHHTGRS-UHFFFAOYSA-N 303.341 1.102 0 40 DDAB Cc1cc2nc(SCC(=O)N3CCCCC3)n(C)c(=O)c2[nH]1 57521577 UXIUOROZFZNZLY-UHFFFAOYSA-N 320.418 1.675 0 40 DDAB Cc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)c(O)c1 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Cc1noc(CCCNC(=O)NC[C@](C)(O)c2ccccc2)n1 72284996 WKXBQHWNEJNPOZ-INIZCTEOSA-N 318.377 1.518 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)C1 65492229 UELOMMLJOGENFC-SECBINFHSA-N 314.744 1.582 0 40 DDAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cnn1C(C)(C)C 65541607 SLYQFMCYYSJAQG-CMPLNLGQSA-N 306.410 1.673 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2cccc(Br)c2)C1 65522061 AAPLVFYJRFYAQM-ZWNMCFTASA-N 323.190 1.796 0 40 DDAB Cc1cnc(C(=O)N2CCN([C@H](C)c3ccccn3)CC2)cn1 97142466 LDCWOGCCAXGGCF-CQSZACIVSA-N 311.389 1.699 0 40 DDAB COCCNC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 5532500 KGQBIEIVXPCSBV-DOMZBBRYSA-N 320.414 1.798 0 40 DDAB CC(C)CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15379298 FBFPKBNJUNVTFL-UHFFFAOYSA-N 302.330 1.457 0 40 DDAB CCOC(=O)C1=C(CN2c3ccccc3C[C@H]2C)NC(=O)NC1 7358076 LBETWIAQTORZJY-LLVKDONJSA-N 315.373 1.568 0 40 DDAB CCN(CC)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842788 OKQHZCKPDDJSIB-LLVKDONJSA-N 324.402 1.481 0 40 DDAB Cc1cc(NC(=O)C(=O)NCCNc2ccccn2)ccc1F 71799731 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O=c1cc(CN2CCCC[C@H]2Cn2cccn2)nc2ccccn12 69930379 CFEDAIFJLBHTNS-INIZCTEOSA-N 323.400 1.946 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)o1 69952203 QJTLNPYCYVCXHE-AWEZNQCLSA-N 323.437 1.260 0 40 DDAB CCN(C(=O)CN1CCN(C[C@H](C)O)CC1)C1=CCCCC1 69950542 XMUGMBRKSBJMAS-HNNXBMFYSA-N 309.454 1.291 0 40 DDAB O=S(=O)(CCCN[C@@H]1CCc2ncnn2C1)c1ccccc1 69902289 DQBYJVDSBGRBGW-CYBMUJFWSA-N 320.418 1.047 0 40 DDAB Cc1c(C(=O)NCCc2ccc(OCC(=O)O)cc2)cnn1C 95425567 UIGVPVIQDWLWHF-UHFFFAOYSA-N 317.345 1.164 0 40 DDAB C[C@](O)(CC(=O)O[C@H](C(N)=O)c1ccc(F)cc1)C(F)(F)F 71916812 DLJHSRKUONWHPV-JQWIXIFHSA-N 323.242 1.599 0 40 DDAB O=c1cc(CSc2ncnc3nc[nH]c23)nc2ccccn12 71905431 LSTQOMIXINAOOA-UHFFFAOYSA-N 310.342 1.653 0 40 DDAB C[C@@H]([C@@H](C)N(C)C[C@H](O)c1cccc(F)c1)S(C)(=O)=O 71904647 KKGMVBYUOSXJKE-SUNKGSAMSA-N 303.399 1.613 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1c1nc(C2CC2)nc2c1CCC2 92939794 OCIPRRYSFJVDIM-CQSZACIVSA-N 300.406 1.804 0 40 DDAB COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(C(N)=O)c[nH]2)cc1 95407896 KQALPGPNDNVQPM-LLVKDONJSA-N 315.373 1.825 0 40 DDAB C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 95446021 BRAMGOGEDVTMHC-KYOSRNDESA-N 305.378 1.409 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)N1CCSCC1 87167182 MCMVPGSMAIGTSJ-UHFFFAOYSA-N 303.391 1.526 0 40 DDAB Cc1cnc(CNS(=O)(=O)Cc2ccc(F)cc2F)o1 95452592 HFLKWTDTXHTFFH-UHFFFAOYSA-N 302.302 1.881 0 40 DDAB CCn1cc(CN2Cc3cncn3[C@@H](CCN(C)C)C2)cn1 306131599 KJQKIQZVJAFCMP-HNNXBMFYSA-N 302.426 1.608 0 40 DDAB CC1CCN(C(=O)COC(=O)[C@H](C2CC2)N2CCCC2)CC1 95946239 UUVQFOQENSJJTR-INIZCTEOSA-N 308.422 1.663 0 40 DDAB Cc1nncn1-c1cccc(NC(=O)c2ccc(=O)n(C)c2)c1 95979729 ZYEFYPRUQZELKV-UHFFFAOYSA-N 309.329 1.527 0 40 DDAB CNC(=O)[C@H](NC(=O)[C@@H](C)c1ccc2c(c1)OCCO2)C(C)C 89775878 IWXHFQBWAVEGJB-XHDPSFHLSA-N 320.389 1.448 0 40 DDAB CC[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C)n[nH]1 89833997 MUUZRHCGCSPJJX-CYBMUJFWSA-N 311.349 1.575 0 40 DDAB CCOc1cccnc1N1CCN(c2nnc(C)c(C)n2)CC1 1548523319 LEUCUHMCBIQGIR-UHFFFAOYSA-N 314.393 1.609 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 22606507 YFSLGJZQCVGSQU-UHFFFAOYSA-N 311.190 1.823 0 40 DDAB COC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408573069 SKAWQNRCXYWLDA-UHFFFAOYSA-N 314.341 1.619 0 40 DDAB NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 6575096 DJPCVJYIWLEUBO-OAHLLOKOSA-N 314.341 1.715 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCn1cccn1 524734091 VUYPCVANCBESCO-UHFFFAOYSA-N 317.397 1.027 0 40 DDAB CN(C)c1cc2c(cc1NC(=O)C(F)(F)F)n(C)c(=O)n2C 408527291 DGIYRDLQDBZKGS-UHFFFAOYSA-N 316.283 1.444 0 40 DDAB O=C(N[C@@H](C1CC1)C(F)(F)F)c1cn(C2CCOCC2)nn1 558553688 TYBUVDZALURWGF-NSHDSACASA-N 318.299 1.700 0 40 DDAB C[C@@H](NC1(CNS(C)(=O)=O)CCOCC1)c1ccccc1 79098010 BPRFJPPZWNGWCR-CYBMUJFWSA-N 312.435 1.436 0 40 DDAB COc1ccc([C@@]2(Cc3cccs3)NC(N)=NC2=O)cc1 71974416 LTVZUAUHCYZCPY-OAHLLOKOSA-N 301.371 1.639 0 40 DDAB CN(C)c1nc(C(=O)N[C@@H](c2ccccc2)C2CC2)[nH]c(=N)n1 561116518 ZKRFZFJMQCCZII-LBPRGKRZSA-N 312.377 1.231 0 40 DDAB CCOC(=O)[C@H](N)[C@@]1(N2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C 216350556 SWNZLWUXFFBWHH-USJZOSNVSA-N 324.465 1.794 0 40 DDAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ncnn12)c1ccn(C)n1 36619538 XKDCYVSCSLSANW-SECBINFHSA-N 311.349 1.226 0 40 DDAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(CS(C)(=O)=O)cc1 78985297 CAGBITIESDYZRM-ZIAGYGMSSA-N 312.387 1.956 0 40 DDAB O=C(O)CCc1nnc2ccc(NCCc3cccs3)nn12 32089231 HBEBXIBQWLIAPF-UHFFFAOYSA-N 317.374 1.858 0 40 DDAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 76391175 HESSGUMAGVLNDK-KGYLQXTDSA-N 313.806 1.747 0 40 DDAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](C(C)C)CC(=O)N2 72325640 TVKKCDVZLZYPBL-SECBINFHSA-N 311.349 1.929 0 40 DDAB biogenic CN(C)c1ccccc1CN1CCC[C@@H]1C(=O)N1CCOCC1 75646430 XIIGEGNQMSLJSO-QGZVFWFLSA-N 317.433 1.576 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1nccnc1N1CCCCCC1 72364804 MOTGJWLLMLEAQJ-ZDUSSCGKSA-N 324.450 1.954 0 40 DDAB O=C(NCc1ccccc1)N1CCN(CCn2cccn2)CC1 75156479 NLVLWHZWBYKQLD-UHFFFAOYSA-N 313.405 1.411 0 40 DDAB COc1ccc(CCNC(=O)NC[C@@H](O)c2cccn2C)cc1 75155182 FHGMZWXNDJULDF-MRXNPFEDSA-N 317.389 1.609 0 40 DDAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)C(F)(F)F 226264032 IPHKHMIWPDVQBX-UHFFFAOYSA-N 303.284 1.915 0 40 DDAB Cc1nc(C)n(C2CN(C(=O)c3cn(-c4ccccc4)nn3)C2)n1 329081093 RRRBVZVCYHTUBO-UHFFFAOYSA-N 323.360 1.173 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCN(C[C@@H]3CCOC3)CC2)o1 96454799 XTCFSJMIPHMNHW-RGDDUWESSA-N 304.390 1.782 0 40 DDAB Cn1cc(CNC(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cn1 96450956 UFIVOAFNBCQCEZ-NUEKZKHPSA-N 317.437 1.436 0 40 DDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1ccoc1)OCC2 96044298 AXKSYWSJIULTHA-ZDUSSCGKSA-N 305.334 1.166 0 40 DDAB Cn1cnc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 96081092 PKOOMMRIXLCDPN-HOTGVXAUSA-N 310.401 1.624 0 40 DDAB COC(=O)C(C)(C)NCc1cn(-c2ccc(Cl)cc2)nn1 97227660 MBTRZDXFKHEGHG-UHFFFAOYSA-N 308.769 1.962 0 40 DDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 96043000 KBCMLLPJUCQKQL-RYQLBKOJSA-N 314.429 1.987 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96239152 BRUBRHGIYQCBQE-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB CCc1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc1 243184213 JXYPHEZBKFSIJN-UHFFFAOYSA-N 312.435 1.787 0 40 DDAB O=C(c1ccoc1)N1CCO[C@@H]2[C@H](Cn3cnnc3)CC[C@H]21 247867615 PEFVAOPRSSYASJ-IACUBPJLSA-N 302.334 1.191 0 40 DDAB CN1CCC(N2CCC(c3cc(O)n4nccc4n3)CC2)CC1 257267638 MIEZCKIMMNPSLM-UHFFFAOYSA-N 315.421 1.709 0 40 DDAB CC(C)Nc1nc(NCCO)nc(N2CCS[C@@H](C)C2)n1 252506308 VYVLSPSJFORPIY-JTQLQIEISA-N 312.443 1.038 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)Cn1cccn1 257296129 RBKALMRLPADSCU-AWEZNQCLSA-N 300.362 1.065 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257312291 UNFYFUAFEZZKRD-AWEZNQCLSA-N 317.393 1.224 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1C 257215797 CRSBUNPSMYIQKY-ZBFHGGJFSA-N 304.390 1.619 0 40 DDAB CCc1cc(C(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)on1 257205682 BADCHYHLBKIRPM-CYBMUJFWSA-N 318.333 1.255 0 40 DDAB C[C@@]12C[C@H](CN)N(C(=O)c3ccccn3)[C@@H]1CCCC[C@H]2O 257199918 ABGSRJYWXISKRI-DNNBLBMLSA-N 303.406 1.565 0 40 DDAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2S(=O)(=O)c1cn(C)cn1 257210568 BVEQGERRWJWKGQ-SFDCQRBFSA-N 324.450 1.056 0 40 DDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCC2)n1 604382181 JJMOEEKESCYYAR-QBPKDAKJSA-N 305.422 1.218 0 40 DDAB biogenic,in-vitro COCCCNC(=O)C(=O)NCc1ccccc1OC(C)C 298105267 MGWVXKBKLKRTRM-UHFFFAOYSA-N 308.378 1.243 0 40 DDAB COCC[C@H]1CO[C@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]12 575405338 SDUNPBQYAZIUHP-OTRWWLKZSA-N 317.385 1.500 0 40 DDAB O=C(CCC1CCCCC1)N1CCN(CCn2cncn2)CC1 589151065 ORPSIKGCCBWYKX-UHFFFAOYSA-N 319.453 1.783 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3ncc(C)[nH]3)C2)n1 585181424 FJGSWJSENKLKAO-CYBMUJFWSA-N 303.366 1.132 0 40 DDAB COc1cccc(CC(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)c1 585288220 RZHCENFNBDANCK-INMHGKMJSA-N 323.389 1.125 0 40 DDAB COC[C@]1(CC(=O)N(C)C)CN(Cc2ccncc2C)CCO1 585275776 JOHPWIDZPRHRAB-KRWDZBQOSA-N 321.421 1.086 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)CCO1 91292433 KUNBISGYIKXMCB-VIFPVBQESA-N 301.701 1.795 0 40 DDAB C[C@@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 5983647 QSKQVZWVLOIIEV-LLVKDONJSA-N 323.393 1.746 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)OC 11692339 OXXIYNOTRYGXFX-YGRLFVJLSA-N 319.361 1.742 0 40 DDAB Cc1ccc2ncc(NC(=O)N3CCn4cnnc4C3)c(O)c2c1 12117151 VSTCNDYKBWKLAX-UHFFFAOYSA-N 324.344 1.888 0 40 DDAB COc1ccccc1CCNC(=O)CSc1nc(C)n[nH]1 14903163 WHUUUKJLMQWTNX-UHFFFAOYSA-N 306.391 1.573 0 40 DDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCc1ccccc1)CS2 15925048 JPUKKPLTRQZUTE-XJKSGUPXSA-N 304.415 1.799 0 40 DDAB CC(C)(C)C(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19082176 KPPDZIITGMEZDR-LLVKDONJSA-N 316.409 1.066 0 40 DDAB O=C1c2cc3c(cc2CC[C@@H]1CN1CCOCC1)OCCO3 19204609 JRSVYGYMRHSRPQ-CYBMUJFWSA-N 303.358 1.535 0 40 DDAB Cc1ccc(NC2=N[C@]3(N=C(N)N2)C(=O)Nc2ccccc23)cc1 19318958 FHAWMFLYXHGMMP-KRWDZBQOSA-N 320.356 1.486 0 40 DDAB CCCCNc1nnc(S[C@@H](C)C(=O)NC(=O)NC)s1 7974710 HKMZKGQELZHAGX-ZETCQYMHSA-N 317.440 1.686 0 40 DDAB O=C(CC1CCOCC1)N1CC2(C[C@H](NCC3CC3)CS2)C1 2056223619 WPXWTGVYIGITAC-HNNXBMFYSA-N 324.490 1.889 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1ccccc1OC)OCC 5184277 MVWABGHHBIYWRG-UHFFFAOYSA-N 310.350 1.149 0 40 DDAB COc1cnc(O[C@H]2CCN(c3ccnc(C4CC4)n3)C2)nc1 2086884348 FQJROMHQIQTFAW-LBPRGKRZSA-N 313.361 1.810 0 40 DDAB Cc1ccnc2nc(C(=O)OCc3nnsc3Cl)nn12 21235715 ALUKEDHIRYVQAD-UHFFFAOYSA-N 310.726 1.295 0 40 DDAB Cc1nc(C)c(CC(=O)NCCc2ccc(Cl)cc2)c(=O)[nH]1 31204306 SWLWKFYOPXHKQJ-UHFFFAOYSA-N 319.792 1.942 0 40 DDAB O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 40487773 UOAIZLOIFKUIER-NSHDSACASA-N 309.391 1.055 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nncs2)C1 40456993 WLIAZYRVPVTMIV-SECBINFHSA-N 315.420 1.432 0 40 DDAB CC(C)C[C@@H](CNc1ncnc2[nH]cnc12)N1CCOCC1 40512414 CMFIAMIOUHXVDL-LBPRGKRZSA-N 304.398 1.512 0 40 DDAB O=C(Cc1cccs1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 40512857 BUFIHTHHKFNJGO-UKRRQHHQSA-N 324.446 1.144 0 40 DDAB CC(C)NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 20671478 ABIWUXOIACUXJQ-JTQLQIEISA-N 307.325 1.507 0 40 DDAB CC(C)n1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 203933 RXFSRZLMDVLSIS-UHFFFAOYSA-N 319.409 1.759 0 40 DDAB COC(=O)C1=C(C)[C@@H](c2ccc(OC)cc2OC)NC(=O)N1 340007 ICTYFAFOECPVPV-LBPRGKRZSA-N 306.318 1.505 0 40 DDAB CC(C)n1nccc1NC(=O)Cn1cnc2ccccc2c1=O 22288197 BCRLJBMHKUXHIR-UHFFFAOYSA-N 311.345 1.813 0 40 DDAB C/C(=C\C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1F 104241114 PCZCHJDWSSBJKQ-ZHACJKMWSA-N 311.378 1.922 0 40 DDAB C[C@H](NC(=O)CS(=O)(=O)c1ccccn1)c1ccc(F)cc1 47620192 AMMSZXDAGKEWFE-NSHDSACASA-N 322.361 1.872 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cnn(-c2ccccc2)c1C 78548990 IVQNMZYZSDQZNT-OAHLLOKOSA-N 312.373 1.531 0 40 DDAB CCCCn1nc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1=O 78895764 JXYQOZFVYIBLSG-OCCSQVGLSA-N 306.410 1.066 0 40 DDAB O=C(c1ccnc(-n2cncn2)c1)N1CCc2sccc2C1 54673516 KAZFCOZXZCXWQO-UHFFFAOYSA-N 311.370 1.922 0 40 DDAB Cc1ccc(OCCN2CCCN(S(C)(=O)=O)CC2)cc1 43067215 DMHNDHWGMLHVDM-UHFFFAOYSA-N 312.435 1.341 0 40 DDAB CC(C)[C@H](CNS(=O)(=O)c1cccs1)N1CCOCC1 24776739 BNDIDWNOUWYTJB-LBPRGKRZSA-N 318.464 1.383 0 40 DDAB O=C(NC1CCCC1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986859 UQOHOVNIKXYTOE-CABCVRRESA-N 317.389 1.713 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCCN(C)C)S2 6216458 YHDSSCAMKRDFDJ-AWEZNQCLSA-N 321.446 1.866 0 40 DDAB Cc1nnc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)o1 106776290 FBEMVQAJWWKNLA-BBRMVZONSA-N 316.405 1.618 0 40 DDAB COC(=O)c1cn(-c2ccccc2C)cc(C(=O)OC)c1=O 8730393 WMHMWOUKOWMQIW-UHFFFAOYSA-N 301.298 1.719 0 40 DDAB O=C1C[C@H](C(=O)N2CCOCC2)CN1Cc1ccccc1Cl 25969228 ACYBPEURUSQUJF-ZDUSSCGKSA-N 322.792 1.547 0 40 DDAB C[C@H]1[C@H](C)CCCN1C(=O)NC[C@H](c1cnn(C)c1)N(C)C 108352318 UPRFXMREFTYIGC-VNHYZAJKSA-N 307.442 1.853 0 40 DDAB c1ccc(-c2[nH]ncc2CNCCCN2CCOCC2)cc1 10003132 BRQOFRXRSGZSKB-UHFFFAOYSA-N 300.406 1.889 0 40 DDAB COc1ccc(CNC(=O)CCCC(=O)N(C)C)cc1OC 72283969 QCZYGZGCTHTUEA-UHFFFAOYSA-N 308.378 1.579 0 40 DDAB CNC(=O)C1(NC(=O)c2cnn(C(C)(C)C)c2)CCCCC1 58228527 METXOVQDKFACSY-UHFFFAOYSA-N 306.410 1.817 0 40 DDAB O=C(COC(=O)c1ccccc1F)NC(=O)NC1CCCC1 3393175 XMUIUCLJMHTISS-UHFFFAOYSA-N 308.309 1.751 0 40 DDAB O=C1NC(=O)c2c(NC(=O)C(Cl)(Cl)Cl)cccc21 3306212 RFCCHCPMOOTPBJ-UHFFFAOYSA-N 307.520 1.879 0 40 DDAB COCCN(Cc1ccccn1)c1ncc(C(N)=O)cc1Cl 44978852 KNDPBQAKAQFUBS-UHFFFAOYSA-N 320.780 1.882 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1csc(C)n1 44967330 JKKUAWLTVJLEFM-ZDUSSCGKSA-N 321.402 1.993 0 40 DDAB COc1cccc(CCNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1 48301259 YVBPCXVVXITIFP-SWLSCSKDSA-N 304.390 1.516 0 40 DDAB O=C(NC1CC2(CCN(Cc3ccccn3)C2)C1)c1cnccn1 108528359 OETPREBAERFEIN-UHFFFAOYSA-N 323.400 1.656 0 40 DDAB Cc1oc(CO)cc1C(=O)OCc1cc(=O)n2ccsc2n1 10725058 LWROXQVGQCCIJF-UHFFFAOYSA-N 320.326 1.507 0 40 DDAB COC(=O)N(C)CC(=O)NCc1sccc1Br 58767811 XVNZWFAEXWFYNQ-UHFFFAOYSA-N 321.196 1.825 0 40 DDAB CN(CCCN1CCCC1=O)C[C@@H]1CCCN1c1cccnn1 72279480 CNEKFHFYALWYPR-HNNXBMFYSA-N 317.437 1.390 0 40 DDAB CC(C)c1nc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)no1 72232056 RQORRJVNFCIEJD-CYBMUJFWSA-N 317.393 1.875 0 40 DDAB COCCNC(=O)CN(C)c1ncnc2cc(Cl)ccc12 21674213 LCEQZXOSYCSVPU-UHFFFAOYSA-N 308.769 1.482 0 40 DDAB COC(=O)C1=C(C)N=C(S)N[C@@H]1c1ccc(C(=O)O)cc1 2482018 GZEBTMRPQDLJIG-LLVKDONJSA-N 306.343 1.762 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 103970525 YUUKIYQGQDDCGG-UHFFFAOYSA-N 310.737 1.419 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 55048507 IIGAICCQFXQATA-CYBMUJFWSA-N 310.419 1.554 0 40 DDAB CC(C)N(C(=O)COC(=O)c1nccnc1N)c1ccccc1 3527733 LRZBCZMAHWAJDU-UHFFFAOYSA-N 314.345 1.657 0 40 DDAB COc1ccc([C@H](O)CNCc2c(C)nn(CCO)c2C)cc1 97159989 PTKVBFLYFKKPDX-QGZVFWFLSA-N 319.405 1.324 0 40 DDAB C[C@H]1CN=C(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)S1 84715263 YHGOBULNUZLQCE-JSGCOSHPSA-N 318.446 1.322 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1F 13075157 REBUITWCGVRBID-UHFFFAOYSA-N 310.306 1.397 0 40 DDAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nccs2)c1 63183785 ACXIEGOSRUEDEL-UHFFFAOYSA-N 316.335 1.870 0 40 DDAB O=C(NCc1ccoc1)N[C@H]1CCCc2c1cnn2CCO 65439943 DJWGZGDFHGQJIO-ZDUSSCGKSA-N 304.350 1.345 0 40 DDAB O[C@H](COC[C@H]1CCCO1)CN1CCC(Cn2cccn2)CC1 65593896 KODAXIRSLTZWAR-DLBZAZTESA-N 323.437 1.152 0 40 DDAB Cc1csc(=O)n1CCOC(=O)c1ccc2c(c1)OCO2 14117867 FCVXZFCNIDHGOT-UHFFFAOYSA-N 307.327 1.804 0 40 DDAB NC(=O)COc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 14373812 QZDVCSUTVJFKOW-MRXNPFEDSA-N 310.353 1.968 0 40 DDAB COC(=O)CN1CCC(Nc2ccc(-n3ccnc3)cc2)CC1 97371270 ZAYQBTHDUBFOSZ-UHFFFAOYSA-N 314.389 1.922 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 9315126 VUVZOOBSZFGZFM-UHFFFAOYSA-N 309.410 1.936 0 40 DDAB CCCC(=O)N[C@@H]1CCc2nc(C(=O)NC3CC3)sc2C1 306138128 RPWUNUFDLQUNOH-SNVBAGLBSA-N 307.419 1.809 0 40 DDAB O=C(COC(=O)[C@@H]1CCCO1)Nc1ccc2c(c1)OCCO2 7033664 HHXLDSVZYFTTRW-LBPRGKRZSA-N 307.302 1.119 0 40 DDAB O=C(CSCCN1CCOCC1)N1CCc2ccccc2C1 95446212 CLBWLVVSXKTJBS-UHFFFAOYSA-N 320.458 1.637 0 40 DDAB CCN(C(=O)COC(=O)c1ccc[nH]c1=O)c1ccccc1 15481579 ZGJPOBFVJFVMLA-UHFFFAOYSA-N 300.314 1.585 0 40 DDAB CCS(=O)(=O)NCCSc1nc2cc(F)c(F)cc2[nH]1 68050352 NHHLNCCZUCCENC-UHFFFAOYSA-N 321.374 1.873 0 40 DDAB O=C1NCCN1[C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 71830553 KLPPKCUDFFSUBQ-LLVKDONJSA-N 317.349 1.319 0 40 DDAB NC(=O)[C@@H](CNC(=O)c1ccsc1)Cc1ccc(F)cc1 71826728 BNZFSQPMHWVGDO-GFCCVEGCSA-N 306.362 1.961 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 71878640 AHWWVVQCYHAQKQ-JYJNAYRXSA-N 320.437 1.340 0 40 DDAB Cc1noc([C@H](NC(=O)c2cc(C(N)=O)cs2)C(C)C)n1 71899419 HSPHLNTUCOHCCL-SNVBAGLBSA-N 308.363 1.666 0 40 DDAB CCc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2 71864851 NBIMQQFNWZZRFW-UHFFFAOYSA-N 314.389 1.442 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164974 YOSQVIZRCPFPLC-DZGCQCFKSA-N 322.430 1.317 0 40 DDAB CCc1ncncc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 83817565 NCHJTMXJNBWDQK-LBPRGKRZSA-N 310.357 1.574 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H](C)n1c(C)ccc1C)C2 70015039 DRUXCJYRTSKEJZ-CYBMUJFWSA-N 301.394 1.862 0 40 DDAB Cc1nnc2n1CCN(C(=O)C1(c3ccc(F)cc3)CC1)C2 69451823 HBIVYVVAOVAGKL-UHFFFAOYSA-N 300.337 1.800 0 40 DDAB Cc1cc(COC(=O)Cc2nn(C)c(=O)c3ccccc23)no1 17150661 FOASEKQOMPXRND-UHFFFAOYSA-N 313.313 1.516 0 40 DDAB COc1cccc(CNC[C@@H]2CN(C3CC3)CCO2)c1OC 69590281 HFMCJNNFYNLPGM-OAHLLOKOSA-N 306.406 1.657 0 40 DDAB CCc1noc([C@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1 69517898 MQFKPJVFNWBMLT-STQMWFEESA-N 320.393 1.637 0 40 DDAB Cn1nc(C(=O)NCCOc2ccc(Cl)cc2)ccc1=O 69768201 VMWOJHLPNRMHJR-UHFFFAOYSA-N 307.737 1.243 0 40 DDAB CN1C(=O)CCc2cc(NS(=O)(=O)c3cn[nH]c3)ccc21 69770973 PNTKCQNSDHNTGE-UHFFFAOYSA-N 306.347 1.120 0 40 DDAB COC(=O)[C@H](C)N(C1CC1)S(=O)(=O)c1c(F)cccc1F 69808430 QVKIKENVOHATRG-QMMMGPOBSA-N 319.329 1.679 0 40 DDAB COC(=O)c1ccc(/C=C/C(=O)N2CCS(=O)CC2)cc1 69842846 WSPCFEFMNGCOCB-QPJJXVBHSA-N 307.371 1.077 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@H]1Cn1cccn1 69947493 MYKXXKLMQHXXHH-AWEZNQCLSA-N 316.409 1.716 0 40 DDAB CCOc1ccccc1CCNC(=O)C(=O)Nc1cccnc1 69936743 VELQSXDLGABPNV-UHFFFAOYSA-N 313.357 1.778 0 40 DDAB CCOc1ncccc1NC(=O)N(C)C1(CCO)CCOCC1 95944261 MQZJXILNSAFUOK-UHFFFAOYSA-N 323.393 1.876 0 40 DDAB COc1ccccc1S(=O)(=O)N(C)c1ncccc1OC 95973507 JNHQSCYWBWDUHX-UHFFFAOYSA-N 308.359 1.924 0 40 DDAB Cc1c(NCc2cc[nH]n2)cccc1C(=O)N1CCOCC1 89540435 GSEGOVSNXFNMLN-UHFFFAOYSA-N 300.362 1.803 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccnc1 62572905 TUUHDVOQMDXRGK-HNNXBMFYSA-N 309.369 1.860 0 40 DDAB CCc1ccccc1NC(=O)C[C@H]1SC[C@H](C(=O)O)NC1=O 20635123 SQEZZJVBZLVOGT-VXGBXAGGSA-N 322.386 1.262 0 40 DDAB Cc1ccccc1CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1C 32508733 IBLOHHDCRAWTHF-QWHCGFSZSA-N 310.444 1.695 0 40 DDAB Cc1cnc(C(=O)N2CCn3c(-c4cccnc4)cnc3C2)cn1 306123472 AOEBZFZZWOMDPN-UHFFFAOYSA-N 320.356 1.700 0 40 DDAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2ccccc2c1 75490419 CAENLFGHKGCYRH-UHFFFAOYSA-N 309.325 1.719 0 40 DDAB CCOC(=O)c1nc(CNC(=O)OC(C)(C)C)sc1N 1554770415 WVZXESWMEUAMBU-UHFFFAOYSA-N 301.368 1.927 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 26013632 ASUMUAGDLMQEAI-DOMZBBRYSA-N 319.405 1.203 0 40 DDAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](O)C1CCCCC1 70636788 YOKXZEIITTWPDQ-MRXNPFEDSA-N 318.417 1.403 0 40 DDAB CCOC(=O)C1=NN(c2cccc(OC)c2)[C@](C)(C(=O)O)C1 71979676 PDUXROLYEDMMKH-HNNXBMFYSA-N 306.318 1.668 0 40 DDAB Cn1nccc1CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 78602997 URBYNBLERBCFQQ-LBPRGKRZSA-N 324.450 1.374 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CC2)[C@H]1c1ccc(Cl)cc1 72241336 RISMEKIPQKGBCI-ZIAGYGMSSA-N 308.765 1.517 0 40 DDAB Cc1ccc(=O)n([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1 44395342 JGGROXKWLLVVQE-LLVKDONJSA-N 315.329 1.158 0 40 DDAB CCOC(=O)c1nc(COc2cccc(NC(C)=O)c2)no1 40267689 VBEYDYVTVVYVRI-UHFFFAOYSA-N 305.290 1.784 0 40 DDAB C[C@@]1(NC(=S)OCCCCCCO)CCS(=O)(=O)C1 40167922 IZVALEUTXIDRHU-GFCCVEGCSA-N 309.453 1.007 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 69899258 XMAUALICHBBIGK-CABCVRRESA-N 313.405 1.818 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCc1ccco1)O2 40778662 SCNKBFJZEWDBBH-MRXNPFEDSA-N 300.314 1.994 0 40 DDAB CC1(C)[C@H](NC(=O)N[C@@H]2CNCCC2(F)F)[C@@H]2CCO[C@H]21 568609184 YCJUEKYCLYKUHD-LNFKQOIKSA-N 303.353 1.096 0 40 DDAB COCCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cn1 225913906 PIYMNBLXCWXXGM-UHFFFAOYSA-N 310.306 1.218 0 40 DDAB Cn1nc(N2CCC(C(=O)Nc3ccncc3)CC2)ccc1=O 85470915 MKHGSSVDDRDCEN-UHFFFAOYSA-N 313.361 1.030 0 40 DDAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1 131724782 HQDAAOXMPYEMBQ-BXUZGUMPSA-N 303.362 1.983 0 40 DDAB NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCC3)c(Cl)c2)C1 45958272 NUBNYHSTZQSKPU-SNVBAGLBSA-N 307.781 1.778 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226749902 ZSOJSOJFRBTLNP-CQSZACIVSA-N 324.808 1.984 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(OC)cc1 225958544 PEKUXALQTJFILY-NSHDSACASA-N 314.407 1.154 0 40 DDAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1cccnc1 195570108 CFKUPICETBESGQ-ZIAGYGMSSA-N 324.446 1.857 0 40 DDAB Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)on1 95353810 AUUAHNMRZYVEIN-YGRLFVJLSA-N 316.361 1.182 0 40 DDAB O=C(NCCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1CO 97101306 ZNPGCZJZPSLSOX-GFCCVEGCSA-N 302.378 1.662 0 40 DDAB CN(C)C(=O)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96052199 HJZVVKONLMDVIM-CYBMUJFWSA-N 309.410 1.019 0 40 DDAB Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC(C)C)C2)no1 96038676 MKCAWNBQAZIRBB-GDBMZVCRSA-N 307.394 1.489 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)NCC(C)(C)C(=O)O 97228548 VUWBWXKDUJRXNH-UHFFFAOYSA-N 303.309 1.665 0 40 DDAB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCO 96037624 MATQTBMEGGJXRH-UHFFFAOYSA-N 322.368 1.871 0 40 DDAB CCc1nc(C)ncc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 96436444 INDDSAAMSQIEBT-CQSZACIVSA-N 320.437 1.170 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96215542 IROWUUKAVAGFFI-KRWDZBQOSA-N 318.421 1.635 0 40 DDAB CO[C@H]1CCN(C(=O)COc2ccc(F)cc2)[C@H]2CCO[C@H]12 96217777 MXKXLXZJRPZKJX-DZKIICNBSA-N 309.337 1.609 0 40 DDAB CC(C)Cc1noc(Cn2cncc(Br)c2=O)n1 95414759 UPCVRVFVPOQJEB-UHFFFAOYSA-N 313.155 1.636 0 40 DDAB COc1ccc2cnn(C[C@H]3CCCNC3)c(=O)c2c1OC 96511214 VJOHEANTSWBEHX-NSHDSACASA-N 303.362 1.413 0 40 DDAB O=C1N(Cc2cccnc2)CC12CCN(C[C@@H]1CCOC1)CC2 96202888 HASAOBXVXPZZNU-INIZCTEOSA-N 315.417 1.543 0 40 DDAB C[C@@H]1C[C@H]1N1C[C@H](NC(=O)COc2ccccc2F)CC1=O 96432038 KRAQTSQHVKGKBO-NQBHXWOUSA-N 306.337 1.330 0 40 DDAB Cn1cc(CN2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@H]32)cn1 248161217 XQSCRTMDXYYEIP-GVDBMIGSSA-N 300.406 1.901 0 40 DDAB CO[C@H]1CSC2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)C2 247880617 PWGXLPKJOYCSQU-GFCCVEGCSA-N 321.398 1.691 0 40 DDAB Cc1cccc(C[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 257212302 CCTJQDVEJRHSBH-HNNXBMFYSA-N 315.417 1.794 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(Cc2cncs2)C1 257324602 WPJYMILJRULRCO-VIFPVBQESA-N 312.420 1.259 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257301557 RYYRDXBQGCPSMM-CQSZACIVSA-N 319.336 1.836 0 40 DDAB CNc1ncccc1CN1CCO[C@@H](c2nc(C)cn2C)C1 257220282 DKGCEMSWNIOIAU-CQSZACIVSA-N 301.394 1.739 0 40 DDAB CN1CCC[C@H]2N(S(=O)(=O)c3cccnc3)CCC[C@@]21C 257234021 GRTKYOKXLZPBHP-CABCVRRESA-N 309.435 1.719 0 40 DDAB O=C(Cn1ccnc1)NCc1cnc([C@@H]2CCCCO2)nc1 257234910 GVOMTZMVMJDLOH-ZDUSSCGKSA-N 301.350 1.231 0 40 DDAB CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1csc(C(C)C)c1 257326186 WWEJSAHXNSVXDA-NEPJUHHUSA-N 309.435 1.278 0 40 DDAB COc1ccc2[nH]c(C(=O)N3CCO[C@H](C(=O)O)C3)cc2c1 263218647 YGVUGZGGBPDSPK-ZDUSSCGKSA-N 304.302 1.102 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1c(C)noc1C)C2 585107230 FNMYASAQFAPOGE-LRDDRELGSA-N 305.378 1.670 0 40 DDAB CCCCC(=O)N1Cc2cncn2[C@H](C(=O)N2CCCO2)C1 585096039 OGHGEAYZTWLPTH-ZDUSSCGKSA-N 306.366 1.121 0 40 DDAB COCc1ccc(C(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 585288283 TVIMUHDAPLSGRP-OAGGEKHMSA-N 323.389 1.334 0 40 DDAB O=C(Cn1ccnc1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585277712 OHLDLJUSQCFAPF-INIZCTEOSA-N 319.336 1.065 0 40 DDAB COCCN1CCN(CC(=O)N(C)CC2CCCCC2)CC1 70006194 PNSQUOMUNIHSLW-UHFFFAOYSA-N 311.470 1.289 0 40 DDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)nc1 33213529 LSAQAZCUNZZNSA-ZDUSSCGKSA-N 313.361 1.008 0 40 DDAB COC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cccs1 35178426 IKOUHNPTDRFUOE-NXEZZACHSA-N 310.375 1.030 0 40 DDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@H](n2cncn2)C1 75613152 YVNXBOPZPKVFCY-CQSZACIVSA-N 302.382 1.116 0 40 DDAB CN(C)S(=O)(=O)NCCNc1cccc(Br)c1 95995032 SDDTZANNTVWIOS-UHFFFAOYSA-N 322.228 1.257 0 40 DDAB CN1CCOC[C@@H]1C(=O)Nc1ccc(Nc2ncccn2)cc1 551955924 BNAZVQASLPPWRC-CQSZACIVSA-N 313.361 1.489 0 40 DDAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccccc1 11743624 DBIRMPVBFATRRT-UHFFFAOYSA-N 320.352 1.735 0 40 DDAB COc1ccc(NS(=O)(=O)c2cn(C)nc2C)c(OC)c1 11923754 UAFQMXPMUABPLO-UHFFFAOYSA-N 311.363 1.547 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccncc2)oc1=O 12115885 QPPNEKZJARLMOD-RYUDHWBXSA-N 316.361 1.688 0 40 DDAB CCCc1nn([C@@H](C)C(N)=O)c(=O)c2cc3ccsc3n12 12181703 SCEDSCNLVDDWBW-QMMMGPOBSA-N 304.375 1.710 0 40 DDAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)C2CC2)n1 19585322 XEMQIGZRVUKZFI-UHFFFAOYSA-N 311.389 1.673 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)Nc2cccc([S@](C)=O)c2)C1 205586855 VQLTYAZPHJJTJI-WYRIXSBYSA-N 316.448 1.813 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCO[C@H](C2CC2)C1 153964016 GBMMBHCVTZUBEQ-IKGGRYGDSA-N 318.417 1.847 0 40 DDAB CC(C)c1nc2n(n1)C[C@@H](NC1CCC3(CC1)OCCO3)CC2 156509572 JMZGUGGFRNXLBX-AWEZNQCLSA-N 320.437 1.992 0 40 DDAB Cc1ccccc1C(=O)NC(=S)N1CCC(C(=O)O)CC1 226349930 UDFQFVYEUVNJET-UHFFFAOYSA-N 306.387 1.806 0 40 DDAB Cc1noc(C)c1CC(=O)NCc1nc(C2CCOCC2)no1 575606021 JBMASKUASBBBNL-UHFFFAOYSA-N 320.349 1.427 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Oc2ccncn2)C1 575604856 GDJWCJZGUXMZAU-ZDUSSCGKSA-N 316.361 1.694 0 40 DDAB CCCCN[C@@H](CC(=O)Nc1ccc2c(c1)OCO2)C(=O)O 5258614 YIJCRDJGCCUFTJ-NSHDSACASA-N 308.334 1.587 0 40 DDAB Cc1nc2c(=O)n(CC(N)=O)nc(-c3ccccc3)c2s1 8954972 MFCNCXUYVDYRJI-UHFFFAOYSA-N 300.343 1.314 0 40 DDAB COc1ccc(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1 13543831 YWNVYGUXNFECQC-UHFFFAOYSA-N 316.342 1.630 0 40 DDAB Cn1cccc(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)c1=O 618257418 VUSJPJKWQOXNDY-CYBMUJFWSA-N 317.414 1.451 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)C(C)C 30298755 BUKCJYFIFPXYCF-INIZCTEOSA-N 318.421 1.459 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)NCCCOCC2CC2)c1 31074331 RZNRHRBYDGWOBN-UHFFFAOYSA-N 311.403 1.984 0 40 DDAB Cc1ccc(C(=O)CCC(=O)NCc2nnc3n2CCC3)s1 40486232 RCHLIXSUNSLMKH-UHFFFAOYSA-N 318.402 1.874 0 40 DDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 40520783 DCURIKZVPXSPKG-CYBMUJFWSA-N 310.357 1.772 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 40510920 BBYHBJAGEIIHKT-STQMWFEESA-N 300.424 1.273 0 40 DDAB Cc1nnc2ccc(N3CCC(C(=O)NC(C)C)CC3)nn12 20725925 UJOIBVXZRIQLDH-UHFFFAOYSA-N 302.382 1.174 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)COc1ccc(C(N)=O)cc1 102109282 ADZFKMGFFJBSRA-XDJHFCHBSA-N 313.357 1.615 0 40 DDAB COc1ccc(OCCCC(=O)N2CC[C@H](C(N)=O)C2)cc1 41128175 VXVVGVMRIRKQJD-LBPRGKRZSA-N 306.362 1.188 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)s1 32824128 OHNHNDIMONHORK-SSDOTTSWSA-N 323.827 1.038 0 40 DDAB CC(=O)[C@@H]1[C@H](c2sccc2C)NC(=O)N[C@]1(O)C(F)(F)F 102829294 HFTMWFJZNYYHAM-SOCHQFKDSA-N 322.308 1.867 0 40 DDAB COc1ccnc(NCc2ccc(CN3CCOCC3)cc2)n1 22135269 FNAIYDJIJLEAPU-UHFFFAOYSA-N 314.389 1.930 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 37436292 SMCHLATVDOUCBF-TVQRCGJNSA-N 309.749 1.967 0 40 DDAB in-vitro O=C(O)C1=C(C(=O)NCc2ccc3c(c2)OCO3)CCCC1 153045 GZFJNPHDIKTELK-UHFFFAOYSA-N 303.314 1.987 0 40 DDAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCSC1 78986077 BYLCJZQAUSYOPX-UHFFFAOYSA-N 309.782 1.526 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)nc2)c1 24257409 ZRNCFZWNIJIFPI-UHFFFAOYSA-N 322.342 1.678 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 43046549 WPMRTWNKMPBPGI-FRRDWIJNSA-N 317.455 1.288 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccs1 24689657 DRDXPLZJEMNSJC-SNVBAGLBSA-N 302.421 1.292 0 40 DDAB CCONC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 24663707 ADNVIAQJJKKDFA-UHFFFAOYSA-N 303.366 1.506 0 40 DDAB Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1nc2ncccn2n1 6526621 NALWYPNXCGGBMO-UHFFFAOYSA-N 311.227 1.427 0 40 DDAB Cc1sc(C(N)=O)cc1S(=O)(=O)NCCc1ccccc1 6679976 KWLOKVJLMJNCCQ-UHFFFAOYSA-N 324.427 1.676 0 40 DDAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 7779724 NGFJUFZFLGZIBA-GHMZBOCLSA-N 302.330 1.652 0 40 DDAB O=C(NCCNC(=O)[C@@H]1Cc2ccccc2O1)c1ccco1 24768956 VUXRLQSKQSKORM-AWEZNQCLSA-N 300.314 1.129 0 40 DDAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cnccn1 24832171 LKKLOGDOIMDQSN-UHFFFAOYSA-N 310.313 1.378 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)n1nnc2ccccc2c1=O 44450475 MWMRWWVHCUYLIY-QMMMGPOBSA-N 301.331 1.448 0 40 DDAB COCCN1CC[C@@]2(CCCN(C(=O)C3CC=CC3)CC2)C1=O 108531190 ISDGLZVLHLGWPF-SFHVURJKSA-N 320.433 1.830 0 40 DDAB CC(C)[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(F)cc1 57879061 PRPGRQZOHWXVMN-MRXNPFEDSA-N 319.380 1.710 0 40 DDAB O=c1c2cnc(-n3ccnc3)nc2nc(O)n1-c1cccc(F)c1 57352001 UUYGTCXXVYOXLS-UHFFFAOYSA-N 324.275 1.206 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)N(C)C1CCCCC1 44770055 NNVMFFHKNSAYTQ-UHFFFAOYSA-N 300.428 1.361 0 40 DDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 62132517 XWUIRIIRAZCGRM-MRVPVSSYSA-N 323.292 1.801 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccccc1)C(=O)N2 58131871 KEJYLKLFNVJMIJ-MDWZMJQESA-N 300.339 1.827 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc2c(c1)OCC(=O)N2 48290004 OETXJJFCQFMIMU-LLVKDONJSA-N 304.346 1.516 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)CN1 48272037 UDIDDGVXAQQHEI-SECBINFHSA-N 302.359 1.670 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2CCN(c3nccs3)CC2)C1 44894412 DWOOXCCATGGYOU-CYBMUJFWSA-N 308.451 1.524 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3cccc(C)n3)CC2)on1 44907275 QLPUYVJYSDMDPJ-UHFFFAOYSA-N 300.362 1.644 0 40 DDAB CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1 57355435 RQRHUDCTZQXQIK-HOCLYGCPSA-N 302.374 1.455 0 40 DDAB CC(C)OC(=O)[C@@H](C)CNC(=O)NC[C@@H](C)C(=O)OC(C)C 72304785 OPOJXIYTRSYLHJ-TXEJJXNPSA-N 316.398 1.461 0 40 DDAB CC[C@@H](C(=O)N[C@H](C)C(=O)N1CCOCC1)c1ccccc1 58379871 HKIDBGHMQKOBDC-UKRRQHHQSA-N 304.390 1.544 0 40 DDAB Cc1nc2ccccc2n1CCNC(=O)[C@@H](C)N1CCOCC1 58358058 BBBIVFMJHPJSAL-CYBMUJFWSA-N 316.405 1.182 0 40 DDAB Cc1nnc(SCC(=O)NC(=O)NCCC(C)C)s1 3389202 MMSNLUYJUJEHPG-UHFFFAOYSA-N 302.425 1.811 0 40 DDAB COCCOCCNC(=O)c1cc(Br)ccc1O 58162474 WCVGJLWCOIEXNP-UHFFFAOYSA-N 318.167 1.548 0 40 DDAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cccc(C)n1)C2 108527807 XBMDMPMJHMQGPU-SUMWQHHRSA-N 301.390 1.768 0 40 DDAB S=C(NCc1ccco1)Nc1ccc(N2CCOCC2)nc1 55031840 HPYCVCUGEDBNOE-UHFFFAOYSA-N 318.402 1.998 0 40 DDAB CCOc1ccc(NC(=O)C[C@@H]2SC(N(C)C)=NC2=O)cc1 28757190 ZBBBLTGANKPOJT-LBPRGKRZSA-N 321.402 1.974 0 40 DDAB CN1CCN(C(=O)CCc2nc(Cc3ccccc3)no2)CC1 46736875 JZSYHHBDUGWMGC-UHFFFAOYSA-N 314.389 1.367 0 40 DDAB C[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C)O1 9112389 AFFQKASEEJAJFC-GHMZBOCLSA-N 301.346 1.183 0 40 DDAB Cc1nnc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 13112166 CMFIBCBCGQEKAK-NXEZZACHSA-N 320.374 1.126 0 40 DDAB CC(=O)N1CCCN(C(=O)CC[C@H](N)c2ccccc2)CC1 95350250 YEVWCIZHPWESRT-INIZCTEOSA-N 303.406 1.547 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(c3ccc(OC)cc3)C=C[C@H]1O2 4350847 FZIWRTKVHSYYOT-SJKOYZFVSA-N 316.309 1.502 0 40 DDAB O=C(Cc1csc(Cc2ccccn2)n1)NC[C@@H]1CCCO1 65407817 LUVVLDSAODDEGW-AWEZNQCLSA-N 317.414 1.967 0 40 DDAB O=C(C1CC1)N1CCN(Cc2cc(-c3ccco3)on2)CC1 14110503 IUWUPZQCGLDHPE-UHFFFAOYSA-N 301.346 1.989 0 40 DDAB O=C(NS(=O)(=O)Nc1nccs1)c1c[nH]c2ccccc12 6661843 XCCKUKVQZWJHHE-UHFFFAOYSA-N 322.371 1.711 0 40 DDAB COC[C@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)c1ccco1 80804776 RTEYYPCJKDOAMF-JTQLQIEISA-N 313.379 1.792 0 40 DDAB CCCN1CCN(C(=O)CCc2ccc(C(=O)OC)cc2)CC1 68358583 AJNNJWXYWNUYOY-UHFFFAOYSA-N 318.417 1.960 0 40 DDAB CCOc1ccc(OCCNC(=O)[C@@H](NC(C)=O)C(C)C)cc1 7899639 KRDHKKARNDQAAZ-INIZCTEOSA-N 322.405 1.741 0 40 DDAB O=C(COC(=O)CCc1cnn(-c2ccccc2)c1)NC1CC1 16257519 YTHAPKGBZDTCJS-UHFFFAOYSA-N 313.357 1.627 0 40 DDAB CC(C)COc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 71829524 GWSUWQZIZHRJED-JSGCOSHPSA-N 319.405 1.842 0 40 DDAB O=C(CCc1cccs1)N1CCC[C@H](N2CCNC2=O)C1 71841744 UHTDRWOBQSAHJI-LBPRGKRZSA-N 307.419 1.697 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCN(CC(F)F)CC1 69438388 VFHUCYKRVRXNPS-UHFFFAOYSA-N 308.332 1.286 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1 69445575 PNMZJUYNNKVCEJ-ZDUSSCGKSA-N 303.366 1.353 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCc2c(ncn2C)C1 69538489 HUZHUJSXOJVZCO-ZDUSSCGKSA-N 310.401 1.756 0 40 DDAB CCNC(=O)N1CCc2ccc(NC(=O)NCCOCC)cc21 71921975 GWIFUTVDWCHWRX-UHFFFAOYSA-N 320.393 1.937 0 40 DDAB COC(=O)Cn1ncc2c(NCc3ccc(F)cc3)ncnc21 69773218 KTYBNFQYZRJOIR-UHFFFAOYSA-N 315.308 1.751 0 40 DDAB COc1ccccc1CNC(=O)C[S@@](=O)Cc1cc(C)on1 69703127 OINOCNOLKKKKGB-JOCHJYFZSA-N 322.386 1.557 0 40 DDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H]2CCOC2=O)cc1 8637532 QIEVWNOSAHBEAQ-GFCCVEGCSA-N 312.343 1.018 0 40 DDAB Cc1cnn([C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc2ncccn2)c1 69842319 GAQJRCWEHDBBGM-FRRDWIJNSA-N 302.382 1.548 0 40 DDAB Cc1ccoc1C(=O)NCCCNc1ccc2nnc(C)n2n1 77995167 LWWGGLJYFYCWBQ-UHFFFAOYSA-N 314.349 1.566 0 40 DDAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C(N)=O)n[nH]2)c1 84037332 PTDAQLUIBLUIBW-SECBINFHSA-N 316.317 1.117 0 40 DDAB Cc1cccc(C(=O)NC(C)(CO)CO)c1Br 97098058 YGFOTGQGOOPOCC-UHFFFAOYSA-N 302.168 1.231 0 40 DDAB CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(Br)cn1 97019272 QGIPEYTUBXNTGG-GMSGAONNSA-N 319.224 1.686 0 40 DDAB O=C1CSc2ccc(C(=O)OCCc3cn[nH]n3)cc2N1 72296111 YYGLNPFCFVYUCV-UHFFFAOYSA-N 304.331 1.248 0 40 DDAB O=C(N1CCN([C@H]2CCC[C@H]2O)CC1)C1(c2ccccc2)CC1 72269393 STBGGDZNHFCJTK-DLBZAZTESA-N 314.429 1.776 0 40 DDAB O=C(CN1CCCNC1=O)N1CCC[C@H](c2nccs2)C1 72273465 BKMYGLGJZJDSJJ-NSHDSACASA-N 308.407 1.264 0 40 DDAB c1cnnc(N2CCC[C@@H](NCc3cn4ccccc4n3)C2)c1 72276653 CSKUNDUUBXYPGW-CQSZACIVSA-N 308.389 1.883 0 40 DDAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@@H](n2cncn2)C1 72272189 SWHJWTRCZMLSGD-HUUCEWRRSA-N 312.373 1.693 0 40 DDAB CCCCCS(=O)(=O)N[C@@H]1CCN(c2ncccc2F)C1 95939985 LVPIQTJFEZMADJ-GFCCVEGCSA-N 315.414 1.909 0 40 DDAB Cc1nc(C(=O)OCCN2C[C@H](C)O[C@H](C)C2)c2n1CCCC2 95971997 ZNYLEZAUMQCWHZ-BETUJISGSA-N 321.421 1.794 0 40 DDAB C[C@H](C(=O)N[C@H]1CCCCC[C@@H]1CO)N1CCSCC1 95976240 FFVQKAJZEIZBSD-MCIONIFRSA-N 300.468 1.481 0 40 DDAB NC(=O)C1(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 89311489 UGYHDQUVEZNFRX-SNVBAGLBSA-N 317.172 1.551 0 40 DDAB CN(C)[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)c1ccco1 89312223 TZYVOUBBKKRNPI-CYBMUJFWSA-N 322.409 1.179 0 40 DDAB CCc1n[nH]c(S(=O)(=O)Cc2cccc(NC(C)=O)c2)n1 86170531 KJACITZFFSHSEJ-UHFFFAOYSA-N 308.363 1.299 0 40 DDAB CN1CC[C@H](NC(=O)Nc2nnc(C3CCCCC3)s2)C1=O 75143714 HJIMXOCRFKSBPC-JTQLQIEISA-N 323.422 1.938 0 40 DDAB COc1ccc2c(c1)CCN(C(=O)Cc1n[nH]c(C)n1)[C@@H]2C 1551868905 SSEUNGGTPLJEMJ-SNVBAGLBSA-N 300.362 1.810 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H]1C 529973495 AIZGEPPWARDQLK-JNIYBQFBSA-N 302.378 1.957 0 40 DDAB CC(C)n1cc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nn1 551987629 SDWDMOBTFRQGHW-AWEZNQCLSA-N 321.425 1.042 0 40 DDAB Cc1nc([C@@H](C)NC(=O)N2CCC(c3cncn3C)CC2)no1 1548453690 CDLRYPPCXPYMNX-SNVBAGLBSA-N 318.381 1.762 0 40 DDAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2CCO)n1 72376760 XULVVHRFDPGAKT-CQSZACIVSA-N 302.353 1.994 0 40 DDAB C[C@]1(C(N)=O)CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 72379586 INKGYHPDRWBKBX-QGZVFWFLSA-N 316.401 1.601 0 40 DDAB CNc1ccc([C@H]2CN(C(=O)c3nccn3C)CCO2)nc1 72388078 BKVQJGWQWCOVJN-CYBMUJFWSA-N 301.350 1.071 0 40 DDAB COCCOCC(=O)N1CCC[C@@H]1Cc1ccccc1OC 79320858 BDZMKTBQDOBRNL-OAHLLOKOSA-N 307.390 1.892 0 40 DDAB Cc1cc(Oc2ccccc2)nc([C@H]2CCN(C(=O)CN)C2)n1 72384454 YLSLINSFGSIPIS-ZDUSSCGKSA-N 312.373 1.852 0 40 DDAB CN(C)[C@H]1CC[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1 134051026 LNBNGVXITZDXHJ-GJZGRUSLSA-N 322.453 1.123 0 40 DDAB CCc1nnc2sc(-c3ccc(OCC(N)=O)cc3)nn12 226298263 ASIMXLZQPVVAMK-UHFFFAOYSA-N 303.347 1.279 0 40 DDAB Cc1csc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 570915607 CYWFZQKPTVCENP-UMNHJUIQSA-N 314.432 1.331 0 40 DDAB O=C1CNC(=O)N1CCN[C@H]1CCC[C@H]1Cc1ccccc1 136300491 KPRXPFNQNHGYDK-GJZGRUSLSA-N 301.390 1.539 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 40465613 RPQXXDMRWCWXNA-BLLLJJGKSA-N 304.346 1.147 0 40 DDAB CCOc1ncccc1C(=O)N[C@@H]1CCc2nc(C)cn2C1 97198801 BIFMSTIJSGCGAK-GFCCVEGCSA-N 300.362 1.730 0 40 DDAB CC1(C)OC(=O)C[C@@H]1C(=O)Nc1nnc([C@H]2CCCO2)s1 96117057 KZYREMSUOSJIOU-HTQZYQBOSA-N 311.363 1.670 0 40 DDAB Cn1c(=O)c2[nH]c(CSc3cccs3)nc2n(C)c1=O 96491102 ZAJZYNGEKVAVGH-UHFFFAOYSA-N 308.388 1.314 0 40 DDAB COCCC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96080904 FYLLEDSJVSLJJT-GASCZTMLSA-N 306.381 1.752 0 40 DDAB Cc1cccc(CC(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1 96121958 JWZVSVGEAUMFHG-UHFFFAOYSA-N 309.431 1.819 0 40 DDAB O=C1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)CC2)N1 96217609 INGLIMYMGBRRRZ-HNNXBMFYSA-N 308.403 1.510 0 40 DDAB COCCN1C[C@H]2CC[C@@]3(N=C(C)N(CC(C)C)C3=O)[C@H]2C1 96261550 MPDNKKJSMMVHEM-HLLBOEOZSA-N 307.438 1.630 0 40 DDAB O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1cscn1 96044360 XZXTUEBEVVFGPC-ZDUSSCGKSA-N 318.402 1.793 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNCc1ccsc1)OCC2 96044293 NPKRWAWDAJRGOD-CQSZACIVSA-N 307.419 1.995 0 40 DDAB O=C1CCCN1[C@@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1 96206574 UDFVSFAMDGMJEQ-CZUORRHYSA-N 320.368 1.366 0 40 DDAB Cn1ccnc1CN1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96219332 OTZXIKGJZVAACH-XJKSGUPXSA-N 314.393 1.056 0 40 DDAB CO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1cccc(F)c1 96388588 TXTHDXLTSGYTOQ-GFCCVEGCSA-N 313.354 1.225 0 40 DDAB Cn1ccnc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 96455645 IZJOWOPSXXXJML-GFCCVEGCSA-N 318.764 1.609 0 40 DDAB CN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 96228723 WERSMCXLZVDXSL-INIZCTEOSA-N 308.447 1.861 0 40 DDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccco1 96045347 CKAYMNFDTRYWFQ-ZDUSSCGKSA-N 316.361 1.667 0 40 DDAB C[C@@H](NC(=O)CNC(=O)c1ccco1)[C@H](O)c1ccc(F)cc1 97232049 WSKKBBYQQZTSJT-BMIGLBTASA-N 320.320 1.387 0 40 DDAB COc1ccc(OCC(=O)N2CCOC[C@H]2c2ccn[nH]2)cc1 257205445 AZCBQKSPZPQKMB-HNNXBMFYSA-N 317.345 1.397 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)COc2cccc(F)c2)n1 257252316 JUJCCGMLYONHHI-CQSZACIVSA-N 319.336 1.836 0 40 DDAB CN(C(=O)c1cc(C(C)(C)C)ccc1O)[C@@H]1CC[C@@H](O)[C@@H]1O 257286284 PLALQHPXMNWYIT-BPLDGKMQSA-N 307.390 1.646 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2cscn2)O1 252482334 DDCRFKXDBXLCPL-GMNPVEAJSA-N 310.375 1.467 0 40 DDAB COc1ccccc1[C@H]1CN(CC(=O)N2CCCC2)CCN1C 257308607 TXIWSQQZOYPGTC-MRXNPFEDSA-N 317.433 1.606 0 40 DDAB Cc1cc(CCC(N)=O)nc([C@@H]2CCCN2c2ncccn2)n1 257323443 WKEQYGRGRAWCGW-ZDUSSCGKSA-N 312.377 1.334 0 40 DDAB Cn1cncc1CN1CCC[C@](O)(COc2ccccc2)C1 585269098 JZERXQXRLGAUCB-QGZVFWFLSA-N 301.390 1.826 0 40 DDAB CCCCc1ncc(CN(CCC)[C@@H]2COC[C@@H](O)[C@H]2O)[nH]1 585291000 KFJSPIZRQXMPQB-FMKPAKJESA-N 311.426 1.085 0 40 DDAB C[C@]1(CNC(=O)Nc2ccc(F)c(NC(N)=O)c2)CCOC1 585141036 OJFUCGASLLHHBG-CQSZACIVSA-N 310.329 1.864 0 40 DDAB CCn1nncc1CN[C@H](C)c1ccc(N2CCNC2=O)cc1 585089109 VOISIQJYUQKMQF-GFCCVEGCSA-N 314.393 1.678 0 40 DDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1ccc3ncccc3c1)C2 585094701 INCHOBXGIFUDQB-AWEZNQCLSA-N 322.368 1.528 0 40 DDAB Cc1cccc2sc(N3CCC4(CC3)NC(=O)NC4=O)nc12 891649308 NOJUBQXZYHTMST-UHFFFAOYSA-N 316.386 1.783 0 40 DDAB NC(=O)C1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 48087417 WSIBLLPPOWSQPV-UHFFFAOYSA-N 317.393 1.411 0 40 DDAB CC(=O)N1CCc2nnc([C@H]3CCCCN3CC3CC3)n2CC1 72372797 QFSQJTASPGNCPK-OAHLLOKOSA-N 317.437 1.620 0 40 DDAB NC(=O)C1(CNC(=O)c2ccc3cc[nH]c3c2)CCOCC1 76967721 CMCMDUIMCLQSNT-UHFFFAOYSA-N 301.346 1.180 0 40 DDAB Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccccc3)CCO2)cn1 98020257 RIDXOUNFVZNIPR-HNNXBMFYSA-N 321.402 1.356 0 40 DDAB NC(=O)CCCNC(=O)c1cnn(Cc2ccccc2Cl)c1 42925923 WPOVMEAQLOUFDC-UHFFFAOYSA-N 320.780 1.580 0 40 DDAB CCC(=O)N1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 19499086 VHTGDZCDELZSBS-HNNXBMFYSA-N 316.405 1.845 0 40 DDAB O=C(NC1[C@H]2CCC[C@H]1CN(C1CC1)C2)N1CCC[C@H](O)C1 102382912 PQQOWYNSVHNHJU-YDHLFZDLSA-N 307.438 1.416 0 40 DDAB O=C(c1noc2c1CCCC2)N1CC[C@@H](Oc2cccnn2)C1 225415566 FFQGSGFGPSNLKG-LLVKDONJSA-N 314.345 1.637 0 40 DDAB COc1ccccc1NC(=O)C[C@H](NC[C@@H]1CCCO1)C(=O)O 4280032 YCFOOSURMNLMEP-AAEUAGOBSA-N 322.361 1.246 0 40 DDAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1 253407108 VPIWTHBLXVHOKM-OAGGEKHMSA-N 318.373 1.711 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)C[C@@H](C)O1 40498086 VPLUZDOTBRANGZ-PHIMTYICSA-N 319.336 1.171 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2CC3(C2)CC3(F)F)cc1 907027139 PZCNSNGUOBUFKR-UHFFFAOYSA-N 303.286 1.415 0 40 DDAB CNC(=O)c1cnc2n1CCN(Cc1cccc(OC)c1)C2 1203820439 GCBWMBPBMATONE-UHFFFAOYSA-N 300.362 1.267 0 40 DDAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CO3)cn1 1565554692 XINPNAHLLHUCGA-INIZCTEOSA-N 317.433 1.969 0 40 DDAB CCCCN[C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)O 2107487 MJYKPNIONNVXDR-CYBMUJFWSA-N 324.377 1.875 0 40 DDAB O=C(CSc1ccc(-c2ccncc2)nn1)N1CCOCC1 4272439 PTIMRIWMCDQZTD-UHFFFAOYSA-N 316.386 1.490 0 40 DDAB CCOC(=O)c1c(S[C@H](CC)C(=O)OC)nc(=O)[nH]c1C 4317558 MYTZZMCPZNTDKI-MRVPVSSYSA-N 314.363 1.299 0 40 DDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)c1cscn1)CC2 2055734680 LEQAMXZZFRPMJO-VIFPVBQESA-N 306.391 1.480 0 40 DDAB O=C(NCCn1cccc1)c1ccc(O[C@H]2CCOC2)nc1 225710369 NXKBMJSOFYSIEP-AWEZNQCLSA-N 301.346 1.481 0 40 DDAB O=C(Cc1ccccc1Cl)NCCOCCn1ccnc1 575620730 UPKMPSWOCMIVIW-UHFFFAOYSA-N 307.781 1.912 0 40 DDAB Cc1nc(N2CCN(c3cnccn3)CC2)cc(C(F)(F)F)n1 575616716 MFMQTXZMXYSOKS-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB O=C(c1ccno1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575616831 KGWWIDKVBHKBBP-LBPRGKRZSA-N 324.340 1.862 0 40 DDAB Cn1c(=O)c2c(NCc3ccc(F)cc3)ccnc2n(C)c1=O 22767801 MVOCZWWFBHXESW-UHFFFAOYSA-N 314.320 1.383 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2ccco2)cc1 77111663 WBTSFHVCJUBADL-AWEZNQCLSA-N 323.370 1.884 0 40 DDAB O=C(NCC[C@H](O)c1ccco1)C(=O)Nc1ccc(F)cc1F 77112230 ZILDVAMANJWLFT-LBPRGKRZSA-N 324.283 1.736 0 40 DDAB C[C@@H](CNC(=O)c1ccn(-c2ccccc2)n1)N1CCOCC1 30682593 WJSGFEJXELTXAL-AWEZNQCLSA-N 314.389 1.323 0 40 DDAB Cc1nnc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)o1 30971950 BWPSNFZRHHNHHT-UHFFFAOYSA-N 318.352 1.404 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1CCCO1 40501180 IRUWHTSENYPRKQ-YNEHKIRRSA-N 306.362 1.693 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)N1CCCC1 40528408 IKVXSFJBBRSVHN-LLVKDONJSA-N 300.380 1.217 0 40 DDAB Cc1cc(NC(=O)CCN2C(=O)COc3ccccc32)n(C)n1 40504926 OIYPZSLHWLJTTG-UHFFFAOYSA-N 314.345 1.483 0 40 DDAB O=C(NCCN1CCOCC1)c1ccn(-c2ccc(F)cc2)n1 40513960 VAVDDLMEZNSLLF-UHFFFAOYSA-N 318.352 1.073 0 40 DDAB CCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 20713817 DYEHPWDHERVPCM-MRXNPFEDSA-N 317.389 1.940 0 40 DDAB CCCCNC(=O)Cc1noc(CSc2nncs2)n1 32913793 JQFHKFATWQWMMP-UHFFFAOYSA-N 313.408 1.672 0 40 DDAB CC(=O)[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21 68456 PEGJIOZXODSSOB-CRAIPNDOSA-N 309.321 1.914 0 40 DDAB O=C(O)CN1N=C(c2nc(-c3cccc(F)c3)no2)CCC1=O 98212097 GGNHDBVQPFPMPX-UHFFFAOYSA-N 318.264 1.287 0 40 DDAB CC(=O)NCCC(=O)/N=c1/sccn1Cc1ccc(C)cc1 104944324 AIHCEYXRFJGWAP-FBMGVBCBSA-N 317.414 1.860 0 40 DDAB C[S@](=O)c1nncn1CC(=O)NC1(c2ccccc2)CCC1 78995990 VVJVPZGZVKCGQT-JOCHJYFZSA-N 318.402 1.211 0 40 DDAB O=C(N[C@H]1CCc2c(F)cccc21)N1CCC2(C1)OCCO2 78952015 TXRRWNAPFAFZAI-AWEZNQCLSA-N 306.337 1.971 0 40 DDAB Cn1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2ccccc21 12596908 LVCLVUMTLDUCTQ-HNNXBMFYSA-N 306.387 1.485 0 40 DDAB CCN(CC)C[C@@H](OC(=O)c1ccc(N)cc1)[C@@H](COC)OC 1646397 LCUMRFCUJAIYHO-HZPDHXFCSA-N 324.421 1.797 0 40 DDAB COc1ccccc1OCCN1CCO[C@H](Cn2cccn2)C1 105890531 JFEAEJSFDWCXRG-HNNXBMFYSA-N 317.389 1.672 0 40 DDAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(O)cc1 6961742 JTQNOIIYQSRLQK-JYRVWZFOSA-N 324.340 1.902 0 40 DDAB COc1cccc([C@H]2C[C@@H]2C(=O)N(C)CC(=O)NC2CC2)c1 106602411 XUNFTGHASDENLA-CABCVRRESA-N 302.374 1.536 0 40 DDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccn1 25470824 HDLJPHHEEFDKBD-AWEZNQCLSA-N 317.414 1.946 0 40 DDAB O=C(CCn1cncn1)NCCc1cc(F)cc2c1OCOC2 57265817 XRAKSQJRKSOIQP-UHFFFAOYSA-N 320.324 1.033 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)C(=O)NC[C@H]1CCCO1 59417400 CSQDIXIBLQQDHX-CQSZACIVSA-N 320.389 1.094 0 40 DDAB CN1CCN(c2ncc3c(=O)n(C(C)(C)C)ccc3n2)CC1 9290378 HXMPYJLYJAMFNN-UHFFFAOYSA-N 301.394 1.298 0 40 DDAB Cn1cc(C(=O)NCCNC(=O)c2ccco2)c2ccccc21 27139004 MBZSNUBZWDYCDF-UHFFFAOYSA-N 311.341 1.931 0 40 DDAB COC(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1c1ccccc1 48160295 VBPKTSQJXWDUEI-CQSZACIVSA-N 305.378 1.200 0 40 DDAB Cc1ccc2nc(SCC(=O)NC(C)C)n(C)c(=O)c2c1 58159477 JMXNGIYAMONESD-UHFFFAOYSA-N 305.403 1.859 0 40 DDAB COc1cccc(CCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 102767519 ZUDAOKXETBKFSM-AWEZNQCLSA-N 316.357 1.034 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccn(C)n2)CC1=O 44873030 DTQXOGMAGAFAMQ-CYBMUJFWSA-N 312.373 1.974 0 40 DDAB Cc1nc(CN2CCN(c3cnc4ccccc4n3)CC2)no1 95959642 AMQVMUVKIFTZNI-UHFFFAOYSA-N 310.361 1.643 0 40 DDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(N(C)C)c(F)c1 58294262 DRHWIBPOJPDGDM-UHFFFAOYSA-N 309.385 1.878 0 40 DDAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc[nH]c2=O)CC1 58282058 NBPCNROGOJGYTJ-UHFFFAOYSA-N 321.377 1.961 0 40 DDAB CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H](C)c1ccc(F)cc1 44972586 PYSHAQLVSMTXDK-LLVKDONJSA-N 319.336 1.285 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)s1 12790994 GIMIHNAOVGKOSQ-UHFFFAOYSA-N 302.421 1.592 0 40 DDAB Cn1cc(-c2nc(C(=O)NCCc3cccnc3)cs2)cn1 44974086 UDBPUTQOVRNUMB-UHFFFAOYSA-N 313.386 1.911 0 40 DDAB CCN(CC)C(=O)[C@H](C)NC(=O)c1ccc(NC2CC2)nc1 58304907 CAUFFJDPTCUZEZ-NSHDSACASA-N 304.394 1.643 0 40 DDAB c1cc2n(n1)C[C@@H](CNCc1ccc(N3CCCC3)nc1)CN2 58328435 DBEVKVNXYNMZPA-HNNXBMFYSA-N 312.421 1.710 0 40 DDAB Cc1nc2c(cc1C(=O)N[C@@H](C)[C@H]1CCCO1)c(C)nn2C 27908338 BWUSPAKOOMQZHG-SMDDNHRTSA-N 302.378 1.882 0 40 DDAB O=C(O)/C=C\C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 28187629 DAFSCTZJTKKQFA-FWWRYZNZSA-N 318.329 1.175 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 3357604 DDGMJSYGYXKMGR-AWEZNQCLSA-N 317.389 1.456 0 40 DDAB O=C(Cc1ccccc1C(F)(F)F)N1CCN(CCO)CC1 84502369 RWELSYOTNJMEAI-UHFFFAOYSA-N 316.323 1.384 0 40 DDAB NC(=O)[C@@H]1CN(Cc2ccccc2Oc2cccnc2)CCO1 84504706 DYKPRJSYEJIULE-INIZCTEOSA-N 313.357 1.560 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCCc1cn2ccccc2n1 45425526 XJXKHDGJSNYNDY-CQSZACIVSA-N 316.405 1.945 0 40 DDAB CC1=NN(c2ccc(C(=O)NCCNc3cnccn3)cc2)CC1 48308979 FZVNALOEIKTJBS-UHFFFAOYSA-N 324.388 1.905 0 40 DDAB c1coc(CN2CCOC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)c1 107738752 BLHKWOAXPKTBKR-FUHWJXTLSA-N 320.433 1.983 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)C(C)C 29197479 RHSUNBHLIJUKTL-AWEZNQCLSA-N 301.350 1.367 0 40 DDAB CSc1ccc(CN(C)[C@H](C)C(=O)N2CCNC2=O)cc1 12851391 RMNGANFZCYHGMZ-LLVKDONJSA-N 307.419 1.781 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2c(C)cccc2C)nn1 5026095 GAAMVAHEBKLKFH-UHFFFAOYSA-N 302.334 1.710 0 40 DDAB CC[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1N1CCOCC1 84735801 YTBSHNSTGAWMTP-HZPDHXFCSA-N 320.437 1.233 0 40 DDAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccco1 13714517 RFMAOQZCSJVXTH-UHFFFAOYSA-N 314.341 1.933 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H]1N1CCOCC1 84736007 BLMHUAJYNQBASV-BBRMVZONSA-N 319.405 1.273 0 40 DDAB Cc1nccn1CCNCc1c(C(C)C)nn(C)c1N(C)C 65475460 DSVFYBBPQMMKNQ-UHFFFAOYSA-N 304.442 1.904 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 65463645 RQXPTMUEPIPCLQ-LBPRGKRZSA-N 319.336 1.505 0 40 DDAB CCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 4472493 RJVBUISPCMGKGS-UXBLZVDNSA-N 306.318 1.625 0 40 DDAB CS(=O)(=O)CCCNC(=O)/C=C/c1ccc(Cl)cc1 65539704 YGJFGUOIKBVLQE-VMPITWQZSA-N 301.795 1.904 0 40 DDAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NC(N)=O 5381980 DPUQJBIMFBNQDU-SNVBAGLBSA-N 317.345 1.617 0 40 DDAB COc1ccccc1[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O 14180381 SGWOQFFNDJTQAT-LLVKDONJSA-N 319.361 1.204 0 40 DDAB Cn1cc(N2CCC[C@@H](n3nc(C(C)(C)C)oc3=O)C2=O)cn1 95414775 OOZLKWURBLOXRL-LLVKDONJSA-N 319.365 1.235 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N2CCCCCCC2)C1=O 9364018 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Cc1cccn2c(=O)cc(CN3CCC[C@H]3Cn3cccn3)nc12 70039609 XMGRKHSXWOOYRC-INIZCTEOSA-N 323.400 1.864 0 40 DDAB C[C@@H]([C@@H](C)NCC(=O)NCCc1cccs1)n1cccn1 70003976 BONZODNDWZBYTI-OLZOCXBDSA-N 306.435 1.843 0 40 DDAB COc1cc(CNC[C@@H]2CN(C3CC3)CCO2)cc(OC)c1 71880861 ALBNYBDRCXLONC-QGZVFWFLSA-N 306.406 1.657 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(CN2CCCC2)CC1 69373153 RAVGERHPUFNAQC-ZDUSSCGKSA-N 310.442 1.028 0 40 DDAB CCn1ccnc1CN1CCN(c2ncnc3c2CCC3)CC1 69454166 AQJHSZFKXQKIFM-UHFFFAOYSA-N 312.421 1.504 0 40 DDAB CNC(=O)NC(=O)CN1CCn2cccc2[C@@H]1c1ccccc1 83881870 HDYZNBOYDBAGMD-INIZCTEOSA-N 312.373 1.349 0 40 DDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccccn1 69666228 ZTOHTJWNZWDVOB-ROJDOSBLSA-N 303.406 1.664 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)N2CCSCC2)nc1 69655960 UUDXLHPRZMILAA-UHFFFAOYSA-N 308.407 1.477 0 40 DDAB COc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1Br 71900724 SOBYUMFDBXSSKF-LURJTMIESA-N 316.155 1.453 0 40 DDAB CC(C)[C@@H](C)[S@@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 95417859 ULFROPSOBNCEMA-OSRJUQGESA-N 316.467 1.297 0 40 DDAB COc1ccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)cc1 69702559 YJVHDHXKDLTLOA-CYBMUJFWSA-N 313.375 1.324 0 40 DDAB O=C(CN1CC[C@@H](c2ccccc2F)C1)NC[C@@H]1CCCO1 69844948 VGGKFZXHDQSYJS-KGLIPLIRSA-N 306.381 1.910 0 40 DDAB C/C=C/C=C/C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 95446279 CBHBPRYNLKHJGR-QPMIJQELSA-N 300.402 1.870 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)N[C@@H](C)c2cnn(C)c2)CC1 73897788 IHAIYAIZLCPTME-KBPBESRZSA-N 307.442 1.901 0 40 DDAB O=S(=O)(c1cnc2ccsc2c1)N1CCCn2ncnc21 83955079 XOHANORGHNDFFY-UHFFFAOYSA-N 321.387 1.487 0 40 DDAB CC[C@@H](NCC1CCOCC1)c1cccc(S(N)(=O)=O)c1 97084077 IGAMWGKRXOJTOH-OAHLLOKOSA-N 312.435 1.801 0 40 DDAB Cc1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)s1 72288369 KHKJOQFDGPQCGD-UHFFFAOYSA-N 322.411 1.907 0 40 DDAB Cc1csc([C@H](C)CNC(=O)Nc2nccn(C)c2=O)n1 97113813 QPVVFZMIIMHKIR-MRVPVSSYSA-N 307.379 1.470 0 40 DDAB COC(=O)CCN(C(=O)c1ccnn1C)c1ccccc1C 97139688 QKAWOBJUYWDIIN-UHFFFAOYSA-N 301.346 1.938 0 40 DDAB COCCn1nc(C)c(CNC(=O)c2ccc(C)[nH]c2=O)c1C 75124167 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DDAB C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)N1CCCCCC1 32441085 SQASRMZDNXWZQU-GJZGRUSLSA-N 317.499 1.960 0 40 DDAB CNc1nnc(SC[C@@](O)(C(N)=O)c2ccccc2)s1 521395097 IQSRYPHSYAUTMG-LBPRGKRZSA-N 310.404 1.045 0 40 DDAB Cc1cc(C)nc(N2CCN(C(=O)c3cscn3)CC2)n1 72368616 AMFBEQQFPIDOFB-UHFFFAOYSA-N 303.391 1.512 0 40 DDAB Cc1[nH]nc(CCC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)c1C 72164339 IYGPJLOXSQKVHD-MRXNPFEDSA-N 320.393 1.450 0 40 DDAB CN(CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1 79390905 PZHKIGKSAIUXRA-UHFFFAOYSA-N 306.362 1.804 0 40 DDAB CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccs1 72238151 HVZVSJMYPJLJOE-HUBLWGQQSA-N 322.430 1.953 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]1N 218209372 WUZBETBPAMOOCP-AXFHLTTASA-N 304.209 1.677 0 40 DDAB C[C@@H](CC(=O)Nc1cccc2c1CCNC2=O)c1cnn(C)c1 562716438 LYSQMQKWAXIECH-NSHDSACASA-N 312.373 1.838 0 40 DDAB O=C(NC[C@@H]1CNCCO1)NC[C@@H]1CCCc2ccccc21 566551082 XQKXTKPDAHRAQH-GJZGRUSLSA-N 303.406 1.394 0 40 DDAB CNc1cc([C@@H]2CN(C(=O)c3cscn3)CCO2)nc(C)n1 72387825 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Cc1cc(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)nn1C 263235599 BOBGBRZXXNFYTP-MRXNPFEDSA-N 301.346 1.501 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC=C(F)C2)s1 274413477 WXTYHKWMJYRBOT-UHFFFAOYSA-N 318.395 1.632 0 40 DDAB O=C(O)CCC(=O)c1cccc(NS(=O)(=O)c2cn[nH]c2)c1 390833509 IOBNWBVMAIFONL-UHFFFAOYSA-N 323.330 1.258 0 40 DDAB CC1(C)C[C@@H]2CN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC[C@@H]2O1 585285613 PNCWVHVHRBBJNP-KBMXLJTQSA-N 318.417 1.678 0 40 DDAB CC[C@@H](Sc1ccccc1)C(=O)NCCn1cnccc1=O 585141775 XYCBGQOGCPNAGD-CQSZACIVSA-N 317.414 1.930 0 40 DDAB Cn1nccc1C(=O)N1CCC2(CC1)CC(N1CCCC1)C2 585101511 IZCRITLEVGSDJQ-UHFFFAOYSA-N 302.422 1.901 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2CCCO2)CC1 65594000 CKFUEPWVYGMGCR-JSGCOSHPSA-N 306.410 1.805 0 40 DDAB CCSCc1ccc(C(=O)NCC(=O)NCCOC)cc1 71971953 KAYXGGMTNJDHNT-UHFFFAOYSA-N 310.419 1.432 0 40 DDAB Cc1cc(OC[C@@H]2CCCN(C(=O)N3CCOCC3)C2)ccn1 1776001064 XSCHTCYXZHJZQB-OAHLLOKOSA-N 319.405 1.933 0 40 DDAB Cc1ccc(-c2n[nH]c(NC(=O)CCCn3cncn3)n2)s1 60456231 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Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 17325260 RYLZZWGZQRVUNP-VXGBXAGGSA-N 311.403 1.648 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)c1 4279947 MRZUABADIXSOLV-UONOGXRCSA-N 306.362 1.545 0 40 DDAB COc1ccc(/C=C/C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 6054940 SKHCAMCCAHLQMR-RZIFZGNASA-N 319.357 1.547 0 40 DDAB C[C@H](OC(=O)c1ccc[nH]c1=O)C(=O)N1CCc2ccccc21 11425477 OVQOURXXNVSXJH-NSHDSACASA-N 312.325 1.510 0 40 DDAB Cc1cc(CN2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)on1 1888844530 FLROFVWFEFZXNI-GJZGRUSLSA-N 311.341 1.604 0 40 DDAB Cc1ccnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889095492 NEAKFHCQXWIAEN-CYBMUJFWSA-N 306.435 1.577 0 40 DDAB Cn1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)n1 14084973 PDWMYQXMQOVWMR-UHFFFAOYSA-N 306.753 1.832 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nnc2ccccn12 23404312 KEAZFNNKUIBSBC-GFCCVEGCSA-N 323.422 1.453 0 40 DDAB COCc1cn([C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1 1565520117 GMYFNUCYFJRBTQ-LLVKDONJSA-N 307.379 1.965 0 40 DDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccccc1F 4941437 OSCGQNPTKHCKSI-NSHDSACASA-N 322.336 1.566 0 40 DDAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 13854403 ZOSQIIIVFVVYHI-UHFFFAOYSA-N 317.389 1.537 0 40 DDAB O=C(Cn1ncccc1=O)NC[C@H]1CCCN1c1ccccc1 207992424 FXNOTKWAEWJKTH-OAHLLOKOSA-N 312.373 1.029 0 40 DDAB Cc1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1 585502987 JXDQQZIUNJLWGN-UHFFFAOYSA-N 303.341 1.397 0 40 DDAB CC(C)(C)c1ccc(=O)n(CC2CN([C@H]3CCC[C@H]3O)C2)n1 585603746 IEEVSQQWYLKAHE-UONOGXRCSA-N 305.422 1.386 0 40 DDAB Cc1ccc(OCCn2c(=N)n(CC(N)=O)c3ccccc32)cc1 20130131 VCACVTZVVKXXFE-UHFFFAOYSA-N 324.384 1.795 0 40 DDAB OC[C@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 51152940 IFYXGQAGPOLNJK-QMMMGPOBSA-N 301.272 1.352 0 40 DDAB COCCOCC(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 40516455 KQADDZURISXDPM-UHFFFAOYSA-N 322.361 1.424 0 40 DDAB CNC(=O)NC(=O)CN1CCc2c([nH]c3ccccc23)[C@H]1C 40555614 IUQHKZFVAZMGKX-SNVBAGLBSA-N 300.362 1.543 0 40 DDAB C[C@@H](CNC(=O)c1cc(-c2ccccc2)no1)N1CCOCC1 40516272 PSFPKYIWNUOYBF-ZDUSSCGKSA-N 315.373 1.792 0 40 DDAB Cc1ccn2cc(C(=O)NC[C@H](C)N3CCOCC3)nc2c1 40509872 GIQRUZWLMYVAHU-ZDUSSCGKSA-N 302.378 1.093 0 40 DDAB CN(C)c1cc(C(=O)OCC(=O)N(C)c2ccccc2)ccn1 51221554 WLIZKEYIERFWGY-UHFFFAOYSA-N 313.357 1.967 0 40 DDAB O=C(N[C@@H]1CCSC1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 20638804 FWMJUKZGFMXGHD-CHWSQXEVSA-N 305.403 1.052 0 40 DDAB CC(C)OCCCNC(=O)[C@H]1CCCN(c2ncccn2)C1 32795758 VRPNGQCJKKODKH-AWEZNQCLSA-N 306.410 1.624 0 40 DDAB CN1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1 54195706 XGJDGJRDFYJIDA-UHFFFAOYSA-N 306.749 1.834 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@@H](C)CO)C2)cc1 84148617 YFTYAOLZRISNGR-ZBFHGGJFSA-N 318.417 1.592 0 40 DDAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCN(CCO)CC1 78783488 PKHHNGIYQAEDMV-LSDHHAIUSA-N 308.809 1.580 0 40 DDAB Cc1cccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)n1 78979930 YHRZBVVNDPPRGO-KGLIPLIRSA-N 318.421 1.979 0 40 DDAB COc1ccc2c(c1)OC(=O)[C@H](S(=O)(=O)c1ccccc1)C2 1612563 KYJWXUZHSWPIQN-OAHLLOKOSA-N 318.350 1.999 0 40 DDAB OCC(CO)(CO)N[C@@H](Cc1ccccc1)c1ccccc1 1668882 WHDOWGMCGHODFS-KRWDZBQOSA-N 301.386 1.276 0 40 DDAB O=C1NC(N2CCN(c3ccccc3)CC2)=N[C@@H]2CCCC[C@H]12 1718141 RQOSPVWDWCTUIB-JKSUJKDBSA-N 312.417 1.853 0 40 DDAB O=C(Cc1ccc2c(c1)OCC2)Nc1n[nH]c(C(F)(F)F)n1 79494837 UFOUNMGXFFJZDX-UHFFFAOYSA-N 312.251 1.940 0 40 DDAB C[C@@H]1CCc2ccccc2N1Cc1nc2c(cnn2C)c(=O)[nH]1 54417748 ZTUAVOFTHVSMMB-LLVKDONJSA-N 309.373 1.998 0 40 DDAB COC(=O)c1cc(CN[C@H]2CCc3nc(C)cn3C2)oc1C 97034405 GGFAHXBZARIGRX-LBPRGKRZSA-N 303.362 1.984 0 40 DDAB C[C@H](OCC(F)(F)F)C(=O)N1CCN(c2ncccn2)CC1 42815872 SGLIXBTVNSPCAC-JTQLQIEISA-N 318.299 1.093 0 40 DDAB COc1ccc(F)cc1CN1C(=O)N[C@@]2(CCSC2)C1=O 24298505 FSBFRSMVSKAUHC-CQSZACIVSA-N 310.350 1.762 0 40 DDAB C=Cn1nnc(NC(=O)COc2ccc(Br)cc2)n1 10119675 CNEMZOBQBQOWQF-UHFFFAOYSA-N 324.138 1.554 0 40 DDAB COc1cc(CNC(=O)NCc2ccnc(OC)c2)ccn1 25054671 MBIRSRCIVCIQCA-UHFFFAOYSA-N 302.334 1.493 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1C[C@H]2CC[C@H]1C2 106639562 SLRZSQFOFLFHOR-MELADBBJSA-N 311.385 1.949 0 40 DDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC2)n1 3213789 JMOSJDHJBCFLBG-UHFFFAOYSA-N 314.393 1.622 0 40 DDAB O=C(C1CCN(Cc2nnnn2C2CC2)CC1)N1CCCCC1 44071196 USRFJUKZMPPTMB-UHFFFAOYSA-N 318.425 1.233 0 40 DDAB O=C(CN1CCc2ccccc21)N[C@@H]1CCCc2[nH]c(=O)ccc21 57154461 VMELJJXIXCSQGW-MRXNPFEDSA-N 323.396 1.931 0 40 DDAB O=C(NCCn1cccc1)N1CCC[C@H](CN2CCOCC2)C1 84456281 ILAGSFNCDXSMPU-MRXNPFEDSA-N 320.437 1.242 0 40 DDAB CS(=O)(=O)Nc1ccccc1C(=O)NC1CCC(O)CC1 12604723 ZHVBNSXAMOUFLF-UHFFFAOYSA-N 312.391 1.091 0 40 DDAB O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1ccc(F)cc1 27441625 IAEQCVVMFDCYJZ-CQSZACIVSA-N 306.337 1.335 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1F 12765436 GJUJRYQCJHQULO-UHFFFAOYSA-N 305.353 1.318 0 40 DDAB Cc1ccc(CN(C)C(=O)Cn2cnc3ncccc3c2=O)cc1 58282113 GUXBEVDZYWVGLE-UHFFFAOYSA-N 322.368 1.759 0 40 DDAB COc1cccc(CCNC(=O)CCn2c(C)csc2=O)c1 44952732 RQNUWUSKKCMUOC-UHFFFAOYSA-N 320.414 1.976 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2sccc2Br)C1 44948856 FXABJKIPSUWWMT-SSDOTTSWSA-N 317.208 1.848 0 40 DDAB O=C(NCCn1nc2ccccn2c1=O)Nc1cccc(F)c1 58332046 WTGQWYDQCGSTLQ-UHFFFAOYSA-N 315.308 1.457 0 40 DDAB Cc1nccc(C(=O)NCC(=O)N2CCCc3ccccc32)n1 58421149 AGYWVYJFKUNHIM-UHFFFAOYSA-N 310.357 1.494 0 40 DDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(C(=O)O)cc1 101711092 XAKITLZCCJWOOY-SNVBAGLBSA-N 301.298 1.578 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2c3ccccc3N(C(C)=O)[C@@H]2N1C(=O)OC 36433180 ZKMAGAPYZQZBHO-KWCYVHTRSA-N 318.329 1.477 0 40 DDAB COC(C)(C)C[C@@H](C)NC(=O)N1CCC(n2cncn2)CC1 84636984 QNQPQNLOKQZABV-GFCCVEGCSA-N 309.414 1.828 0 40 DDAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@H]1CCCO1 2390109 OLAKZCJPFSTJKH-CYBMUJFWSA-N 301.346 1.964 0 40 DDAB Cc1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 11049181 CAOVTSVWYNERAO-UHFFFAOYSA-N 300.362 1.718 0 40 DDAB C[C@@H](CNC(=O)COc1ccc(F)cc1F)N1CCOCC1 29964446 TWXPVVQWBQPXNJ-NSHDSACASA-N 314.332 1.181 0 40 DDAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(C)(=O)=O)no1 12028767 UDIYUKMKHXCVEP-LBPRGKRZSA-N 323.374 1.082 0 40 DDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1coc(-c2cccs2)n1 48482141 ZBQZACJDJCMQBZ-ZETCQYMHSA-N 300.361 1.192 0 40 DDAB Nc1cc(N)nc(SCC(=O)NC2CCCCCCC2)n1 3524855 CVOOWHKODOCNIO-UHFFFAOYSA-N 309.439 1.962 0 40 DDAB COc1ccc(NC(=O)CCNc2ncnc3[nH]cnc23)cc1 12296905 JRAXCFYZNMDHDH-UHFFFAOYSA-N 312.333 1.802 0 40 DDAB biogenic COc1ccc([C@@H](O)CNC(=O)NCCc2cnn(C)c2)cc1 46993616 DBPRTPFORLZTIE-HNNXBMFYSA-N 318.377 1.004 0 40 DDAB O=C(O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 37328029 FGOCPFKNBYZDTF-VIFPVBQESA-N 319.404 1.372 0 40 DDAB in-vitro O=C(CCN1CCC[C@@H]1Cc1ccccc1)N1CCOCC1 47280191 MTRUDJIOXFWRSB-QGZVFWFLSA-N 302.418 1.942 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc(OC)c1 13536119 PZYQDWWXWZIUSI-ZFWWWQNUSA-N 307.346 1.706 0 40 DDAB CC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 5053499 UCAKDQHSTCKPDA-VIFPVBQESA-N 307.379 1.375 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCc1cccnc1 95476030 VTDWSXVJVREUDO-UHFFFAOYSA-N 314.393 1.725 0 40 DDAB O=C([C@@H]1CCOC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 65463921 QYFMMAHJKBPHHI-CQSZACIVSA-N 318.373 1.096 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1C[C@H](C)O[C@@H](C)C1 14093255 DNXQXAVQIRYBQW-RYUDHWBXSA-N 300.362 1.825 0 40 DDAB CC[C@@H](C)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 65564374 SPNKJYSLHOHGDP-CYBMUJFWSA-N 321.469 1.533 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cc(Cl)cc(Cl)c1 5533165 NQMTTWFNKXNJJG-UHFFFAOYSA-N 317.128 1.702 0 40 DDAB CN(C)CCCNC(=O)Nc1sc2c(c1C(N)=O)CCC2 6661584 GMKKKSHHNSCUNA-UHFFFAOYSA-N 310.423 1.409 0 40 DDAB CCC(NNc1cccc2ccccc12)=C1C(=O)NC(=O)NC1=O 9358943 NTSVFVSAPPDWFG-UHFFFAOYSA-N 324.340 1.786 0 40 DDAB CC(C)[C@H](NC(=O)c1ncccc1O)c1nnc2ccccn12 97165482 YQVBJZLCMUPAMU-ZDUSSCGKSA-N 311.345 1.957 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nccs2)C1 67047232 JYFUKEMYTBEXQQ-VXGBXAGGSA-N 319.430 1.860 0 40 DDAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)Cn1cccn1)C2 97198640 OZICCBXPVXJJOO-GFCCVEGCSA-N 301.394 1.508 0 40 DDAB Cc1nnsc1-c1nn2c(-c3cnn(C)c3)nnc2s1 80336778 IQTFRTMQMULVTK-UHFFFAOYSA-N 304.364 1.413 0 40 DDAB CC(C)C[C@H](CN(C)C)NC(=O)c1ncn(-c2ccccc2)n1 95454033 PVRJXHFIYQEGPX-CQSZACIVSA-N 315.421 1.973 0 40 DDAB c1ccc(-n2nnnc2N2CCN(Cc3ccco3)CC2)cc1 16738722 WWZVSUDECQHKEO-UHFFFAOYSA-N 310.361 1.578 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2ccc(F)c(Br)c2)N1 72303372 LHFONWIPZQHSTN-VIFPVBQESA-N 301.115 1.805 0 40 DDAB COCc1ccc(C(=O)NCCNc2ccc(C)nn2)cc1 70036900 VWEGXLWBBCRVOI-UHFFFAOYSA-N 300.362 1.773 0 40 DDAB CC(=O)N[C@](C)(C(=O)N1CCC[C@@H]1Cn1cccn1)C1CC1 70006677 HWJWAEJPUBSBGO-ZBFHGGJFSA-N 304.394 1.179 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 69369527 HMFUXQLYKHSLCW-OAHLLOKOSA-N 318.417 1.966 0 40 DDAB CCN(C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC)C2)c1 69351671 DXLPXQQCCVBLBE-MRXNPFEDSA-N 317.433 1.623 0 40 DDAB C[C@H]1CN(C(=O)c2cnc3ccccn3c2=O)CC(C)(C)O1 71831201 PRNTVDOQWYZFOZ-NSHDSACASA-N 301.346 1.334 0 40 DDAB CCc1noc([C@H](C)N2CCN(C[C@H]3CCCCO3)CC2)n1 69436333 MZLLLRUEFIBFJN-UONOGXRCSA-N 308.426 1.880 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 69418683 BCCNITULEWQSFM-NTZNESFSSA-N 320.393 1.330 0 40 DDAB CN(C)c1ccc(CCNC(=O)CCNc2ncccn2)cc1 69452403 XGJXEEFPJPZIJX-UHFFFAOYSA-N 313.405 1.704 0 40 DDAB CCn1ccnc1CN1CCN(Cc2nc(C3CC3)no2)CC1 69417931 QCSBYWCEUZODNL-UHFFFAOYSA-N 316.409 1.481 0 40 DDAB O=C1C[C@H](c2ccccc2)N(C(=O)C[C@@H]2CCCO2)CCN1 71821284 UOTFAKYVBXJDBZ-LSDHHAIUSA-N 302.374 1.645 0 40 DDAB Cc1[nH]ncc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91762125 KSNWMORHKPUIKD-HZMBPMFUSA-N 307.300 1.944 0 40 DDAB C[C@H](NC(=O)CSCCS(C)(=O)=O)c1ccccc1 69670399 PNLLPMPCBQKZDQ-NSHDSACASA-N 301.433 1.642 0 40 DDAB CCn1cc(CN2CCCN(C(=O)c3ccoc3)CC2)cn1 69624993 PXBWYROHBBJGSB-UHFFFAOYSA-N 302.378 1.844 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2nncn2c1 69622042 BUDJYBVPLYZEPW-CYBMUJFWSA-N 324.340 1.641 0 40 DDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 8502588 HHVVALWGLRSTPO-QGZVFWFLSA-N 317.389 1.758 0 40 DDAB COCCN1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 69972441 YMRXUUVHOLMXMQ-UHFFFAOYSA-N 311.470 1.430 0 40 DDAB CN(CCC(=O)N1CCOCC1)[C@@H]1CCc2ccccc2C1 71907871 AWBFKHAKDIIPKT-QGZVFWFLSA-N 302.418 1.725 0 40 DDAB Cc1ccc(CN(C)C(=O)COC(=O)c2cc(O)ccc2O)o1 71920049 WDQSXTZHLBWCFC-UHFFFAOYSA-N 319.313 1.815 0 40 DDAB O=C(NC[C@]1(O)CCCNCC1)c1cc(-c2ccccc2)on1 72151215 RXRZRRVQONFZDP-KRWDZBQOSA-N 315.373 1.576 0 40 DDAB O=C(N1CCCC2(C1)OCCO2)C1(Br)CCC1 95443539 VJXDZWGPECMFMK-UHFFFAOYSA-N 304.184 1.670 0 40 DDAB O=C(OCCOCCn1cccn1)c1cccc2cn[nH]c12 73296679 JSSMHWOBGPHPQD-UHFFFAOYSA-N 300.318 1.633 0 40 DDAB Cc1nc(C2(NC(=O)c3ccnc(-n4ccnc4)c3)CCC2)no1 95954418 CUHNXRRLVNNGIN-UHFFFAOYSA-N 324.344 1.768 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN2CCOC[C@@H]2C)cc1C 95948170 VEBNCGPVIPBBPY-AWEZNQCLSA-N 312.435 1.302 0 40 DDAB CCC(=O)N1CCC(N[C@@H]2COc3c(cccc3OC)C2)CC1 89146869 VVVVNPHHRZCREC-HNNXBMFYSA-N 318.417 1.989 0 40 DDAB COCCn1cc(NS(=O)(=O)Cc2cccc(F)c2)cn1 76556845 OXKUHQXQSHAMLI-UHFFFAOYSA-N 313.354 1.611 0 40 DDAB CCOc1ccc(C(=O)OC)cc1CSc1nnc(C)n1N 27645418 JNFJXBVNVXIJJC-UHFFFAOYSA-N 322.390 1.778 0 40 DDAB O=C(NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cnn2ccccc12 408493324 GMHLHOCSFQGZFU-SUNKGSAMSA-N 319.386 1.583 0 40 DDAB CN1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 61031365 LUYVRXICTGPIGU-UHFFFAOYSA-N 301.390 1.637 0 40 DDAB CCc1ccccc1N1C(=O)C[C@H](N2CCN(C)CC2)C1=O 36633846 GOXDPFFXRSDPSH-HNNXBMFYSA-N 301.390 1.128 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCOCC1 33415631 MCTPHWGOAFUELB-ZDUSSCGKSA-N 310.369 1.432 0 40 DDAB C[C@H](CC(=O)N[C@@H]1CN(C)NC1=O)c1c[nH]c2ccccc12 519516954 AFHIAAKSAXEBGB-QMTHXVAHSA-N 300.362 1.123 0 40 DDAB COc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCO2 530540926 OFOBHKCANLVXQR-UHFFFAOYSA-N 323.374 1.555 0 40 DDAB NCCC[C@@H](NC(=O)OCc1ccccc1Cl)C(=O)O 71603078 QLMIHQAOCYVUQU-LLVKDONJSA-N 300.742 1.758 0 40 DDAB O=C(NC1CCCC1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32069906 JNFDVOXRKCKYNW-GFCCVEGCSA-N 314.393 1.400 0 40 DDAB CC[C@@H](CO)N1CCN(c2ncnc3ccc(F)cc23)CC1 78524227 OJEUMHIIAQITNC-ZDUSSCGKSA-N 304.369 1.662 0 40 DDAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)NCc1ccco1 35452217 BWCSREBLISVRMU-UHFFFAOYSA-N 300.314 1.630 0 40 DDAB NC(=O)c1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634530 VGYNMGRAXYOTQK-UHFFFAOYSA-N 313.264 1.971 0 40 DDAB COc1ccc([C@H]2C[C@H](C)N(CCNS(C)(=O)=O)C2)cc1 76391405 KDWVEJULAWKHJC-JSGCOSHPSA-N 312.435 1.422 0 40 DDAB Cc1cnc(CCNC(=O)N2CCCO[C@H](C(C)C)C2)nc1 574967349 AAXOHHBWPSITQC-AWEZNQCLSA-N 306.410 1.784 0 40 DDAB Cc1nc(C)c(CN2CCN(S(=O)(=O)C3CC3)CC2)s1 528612398 PQBVFGXTXJQMBN-UHFFFAOYSA-N 315.464 1.370 0 40 DDAB CON(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 199829010 LEXFHZYIXPPFQK-SSDOTTSWSA-N 300.277 1.852 0 40 DDAB O=C(O)CC1(NC(=O)[C@H]2CCc3cc(F)ccc32)CCOCC1 571583131 YJIVLPQORWYUDX-AWEZNQCLSA-N 321.348 1.996 0 40 DDAB CCN1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 225424769 GLLRRDQJEBQZBV-UHFFFAOYSA-N 324.494 1.194 0 40 DDAB biogenic,in-vitro COC(=O)C1[C@@H]2C3C4[C@@H]1[C@@H]1C[C@@H]1[C@H]4C(C(=O)OC)[C@H]3[C@H]1C[C@@H]21 44143904 IBCKSPPYENJLNL-JSZXTQGNSA-N 302.370 1.589 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 96043322 GUQRWALPRRZPQM-IXDOHACOSA-N 302.418 1.968 0 40 DDAB CC(C)OC[C@@H](O)CN1CCC(CN2CCCCC2=O)CC1 96481157 IBXGYUHDHZBRKL-INIZCTEOSA-N 312.454 1.497 0 40 DDAB O=C([C@@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCO1 96216655 CQPLTXBBVWCIPM-HNNXBMFYSA-N 320.389 1.957 0 40 DDAB Cc1nccc([C@@H]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3O2)n1 96070487 KNGSICJMDWGVIC-VBNZEHGJSA-N 312.373 1.726 0 40 DDAB C=CC(=O)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 96067782 PSRFVJDMZCEVFO-UHFFFAOYSA-N 316.401 1.388 0 40 DDAB CCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O 96463826 IYKROFFQDFBEOF-UHFFFAOYSA-N 311.385 1.408 0 40 DDAB biogenic Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)CS(C)(=O)=O)c1 96408088 JAVNRFGTVHKXQZ-ZDUSSCGKSA-N 324.446 1.758 0 40 DDAB Cc1noc(C)c1CCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96421550 WPUMKPMGWAQLKC-MCIONIFRSA-N 307.394 1.947 0 40 DDAB COCCN1CC[C@@]2(COCCN(Cc3nccs3)C2)C1 96062298 XWXYSVOXUZTHHJ-OAHLLOKOSA-N 311.451 1.314 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@H]12 96251862 WZTNHPNSJFQWOQ-HOTGVXAUSA-N 322.430 1.211 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)N1 96414603 KQTIYWFNZPICFU-TZMCWYRMSA-N 318.348 1.526 0 40 DDAB CO[C@@H]1CN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)CC[C@H]1C 248885414 MAIZESWYKABSDI-OPRDCNLKSA-N 308.300 1.033 0 40 DDAB CCC(=O)N1CCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257225432 FGELTVJVQPIQFH-GFCCVEGCSA-N 315.377 1.505 0 40 DDAB Cn1cncc1CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257228218 FSWXASWXCNLDCQ-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB Cc1noc(C[C@H](NC(=O)c2nccnc2N)c2ccccc2)n1 390835052 BSGBQQBVXLUGDR-LBPRGKRZSA-N 324.344 1.464 0 40 DDAB CN1CCN(CC(=O)N=c2cco[nH]2)c2ccc(Cl)cc21 585123538 NBPZJMOLSKPYKM-UHFFFAOYSA-N 306.753 1.645 0 40 DDAB O=C(C1CCNCC1)N1CC[C@@](O)(COc2ccccc2)C1 585268996 GWYQTUCJJADOSR-KRWDZBQOSA-N 304.390 1.028 0 40 DDAB COc1ccc(CNC(=O)CSc2nncn2C(C)C)cn1 32769207 IJLRCILCROLDKJ-UHFFFAOYSA-N 321.406 1.671 0 40 DDAB Cc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)cs1 72661360 RZAFEXRBDHMSMV-UHFFFAOYSA-N 309.416 1.662 0 40 DDAB CCC[C@](C)(NS(=O)(=O)c1ccccc1OC)C(=O)OC 35248702 FQHFPNRDIOUCMN-AWEZNQCLSA-N 315.391 1.705 0 40 DDAB CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@@H](O)CN1 37798606 MTWWKOXMEVFHAP-NEPJUHHUSA-N 313.195 1.130 0 40 DDAB CCOc1ccc(OC[C@@H](O)CN2CCC(CO)CC2)cc1 46090554 XLGFQDPXARANIA-HNNXBMFYSA-N 309.406 1.529 0 40 DDAB C[C@H](c1cccs1)N(C)C(=O)CN(CC(N)=O)C1CCCC1 52844086 JAYJSYQZZQYGHN-GFCCVEGCSA-N 323.462 1.997 0 40 DDAB C[C@H](CN1CCOC1=O)NC(=O)c1cc(Cl)c(Cl)n1C 58440426 VPSVUGGJMSXCJI-SSDOTTSWSA-N 320.176 1.902 0 40 DDAB COc1ccc(F)cc1CN1CCO[C@H](c2nc(C)n[nH]2)C1 76048356 JAUOLKKBLOIADR-AWEZNQCLSA-N 306.341 1.834 0 40 DDAB Cc1cc(C(=O)N2CC(N3CCc4sccc4C3)C2)n(C)n1 585324829 MODJRNNYOWLYKT-UHFFFAOYSA-N 316.430 1.673 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3c(C)noc3C)C[C@@H]2C)CC1 107141888 HEERQQDDKWXLRG-SJCJKPOMSA-N 320.437 1.276 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCCC(C)C)cc1 5953239 RWJJAJJZAXDARH-UHFFFAOYSA-N 306.362 1.964 0 40 DDAB Cc1cccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)c1 12624601 GQDPOODSFNWSGN-UHFFFAOYSA-N 318.398 1.714 0 40 DDAB COc1ccc(C(=O)C2CCN([C@@H]3CCOC3=O)CC2)cc1 14327405 WKVPIFXQTZAHJW-OAHLLOKOSA-N 303.358 1.905 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2ccc(F)c(F)c2F)c(=O)[nH]1 19937547 RFUSANRUGSQBFG-UHFFFAOYSA-N 311.263 1.985 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 169620960 RXLABSIVFJHQMK-WDMOLILDSA-N 306.387 1.745 0 40 DDAB C[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O 158045674 OBOJWHWGVOAJNS-LDWIPMOCSA-N 308.281 1.438 0 40 DDAB CCn1ncc(CNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1 528081179 JSTGXQKVMNZELZ-STQMWFEESA-N 307.398 1.397 0 40 DDAB O[C@]1(COc2ccccc2)COCCN(Cc2cscn2)C1 643913851 JKSZRTKECKBGMR-INIZCTEOSA-N 320.414 1.785 0 40 DDAB O=S(=O)(C1CC1)N1CCC(N(c2ccncn2)C2CC2)CC1 1849041876 AGGIPAIUEFCROZ-UHFFFAOYSA-N 322.434 1.402 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1 1889071924 IZFYKXMEJLOXIZ-LBPRGKRZSA-N 307.419 1.111 0 40 DDAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 1565555973 LFSPGPABVLVWGW-GJZGRUSLSA-N 308.422 1.269 0 40 DDAB O=C(CNC(=O)c1ccccc1)NCCc1nc2ccccc2[nH]1 2403683 DQGLTDGAXSPHPD-UHFFFAOYSA-N 322.368 1.652 0 40 DDAB CCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438085 GFUAQSPECWVBMP-UHFFFAOYSA-N 310.423 1.850 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)C2CC2)C1 2055717992 RZDHMCUZIXZSFV-NWANDNLSSA-N 315.373 1.436 0 40 DDAB Cc1cc2c(cc1NC(=O)c1ccco1)N(C)S(=O)(=O)N2C 575612003 JRQTZSNWDSKTSY-UHFFFAOYSA-N 321.358 1.971 0 40 DDAB O=C(CN1CCc2ccccc2C1)N1CCC2(CC1)OCCO2 51112849 NJMJFZBHHHWDCP-UHFFFAOYSA-N 316.401 1.410 0 40 DDAB Cn1cccc1C(=O)CN1CCN(C(=O)c2ccco2)CC1 30146186 RTHQNNVOOGAXQW-UHFFFAOYSA-N 301.346 1.259 0 40 DDAB COC(=O)C(C)(C)NC(=O)/C=C/c1cc(OC)ccc1OC 30578787 AXBMUEWMPMIECX-RMKNXTFCSA-N 307.346 1.785 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnn(-c2ccccc2)n1 40542886 UUKTTXSVYLHRPR-CYBMUJFWSA-N 315.377 1.158 0 40 DDAB Cc1ccc(OC[C@@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 40501861 VEAUDTHKMQIUPH-LBPRGKRZSA-N 316.313 1.845 0 40 DDAB COCc1ccccc1NC(=O)C(=O)NCc1nc(C)cs1 41220164 OQPOHMQNXRFTFL-UHFFFAOYSA-N 319.386 1.853 0 40 DDAB Cc1ccc(OCCN(C)C(=O)c2c[nH]c(C(N)=O)c2)cc1 32935359 RCYMPTGWMUKEMA-UHFFFAOYSA-N 301.346 1.573 0 40 DDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2CC1 32900128 OWBAUHBHOWRTQI-HNNXBMFYSA-N 321.398 1.941 0 40 DDAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@H](O)C1 32902703 ULFWDDHQDQHHLE-KBPBESRZSA-N 302.374 1.561 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CCOC3)c12 41369301 WGJNJASFXPDGNR-NSHDSACASA-N 314.389 1.920 0 40 DDAB C[C@@H](OC(=O)c1cnccn1)C(=O)N1CCc2sccc2C1 22641133 OLFYLNWGQUPKPO-SNVBAGLBSA-N 317.370 1.668 0 40 DDAB Cc1ncsc1C(=O)NCCN1C(=O)c2ccccc2C1=O 54233111 INOSGWQUZFKQSK-UHFFFAOYSA-N 315.354 1.478 0 40 DDAB Cn1nc2c(cc1=O)CN(C[C@H](O)c1ccccc1F)CC2 72302238 IYWSWJUPBYICLP-HNNXBMFYSA-N 303.337 1.011 0 40 DDAB COc1ccc2c(c1)[nH]c1c(=O)n(CC(OC)OC)cnc12 489151 QAXOVVSWFAIXEM-UHFFFAOYSA-N 303.318 1.505 0 40 DDAB C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)C(=O)N(C)C 76952009 FAVHQPQARRYYRD-IUODEOHRSA-N 303.406 1.784 0 40 DDAB O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 806827 HILWEVWFJCFLHM-VIFPVBQESA-N 307.350 1.398 0 40 DDAB Cc1noc(C)c1CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78900394 YNFXOMZGJBRIPS-NSHDSACASA-N 303.366 1.493 0 40 DDAB COc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1F 79095773 YOEMPYVPAOFVHT-JQWIXIFHSA-N 309.341 2.000 0 40 DDAB O=C(O)CCNC(=O)COc1ccc(Br)cc1 1792753 KUSUZWLBFUNQCX-UHFFFAOYSA-N 302.124 1.419 0 40 DDAB CS(=O)(=O)NC[C@H](O)Cn1c2ccccc2c2ccccc21 2471788 OIXAFYAOQQBQSF-LBPRGKRZSA-N 318.398 1.705 0 40 DDAB O=C(C[C@H](NCCO)C(=O)O)Nc1cc(Cl)ccc1Cl 6888712 FUSIRQYHAVDALZ-JTQLQIEISA-N 321.160 1.357 0 40 DDAB CCC(=O)N(c1nnc(S[C@H](C)C(N)=O)s1)C1CC1 7673035 ZHFYAQOEGKUVTM-ZCFIWIBFSA-N 300.409 1.409 0 40 DDAB Cc1ccc(-c2nc(C(=O)NCCO)nn2-c2ccccc2)cc1 8476519 OHZBWBOKFSJSGS-UHFFFAOYSA-N 322.368 1.965 0 40 DDAB COCC(=O)N1CCN(C(=O)c2cc3ccccc3n2C)CC1 55407093 WJUPVAWJFLOOAN-UHFFFAOYSA-N 315.373 1.109 0 40 DDAB CN(C)C(=O)CN(C)C(=O)c1csc(Br)c1 35222341 OTJSQDMTYKKZQU-UHFFFAOYSA-N 305.197 1.671 0 40 DDAB Cc1noc(C)c1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 27555855 LNWPDIJQZOPWAA-SECBINFHSA-N 321.402 1.890 0 40 DDAB CCN(CCN(C)CC(F)(F)F)CC(=O)NCC1CCC1 84774743 PJAFXNBEUWCEPS-UHFFFAOYSA-N 309.376 1.719 0 40 DDAB Cc1ccc(C(=O)NCc2cccnc2)c(-n2cnnn2)c1C 44889747 SSLBDZCWFVCTMR-UHFFFAOYSA-N 308.345 1.604 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)Cn1ccc(C(F)(F)F)n1 44896346 JXMMUPVWXPKMQE-UHFFFAOYSA-N 301.272 1.294 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N(C)CCCOc1ccccc1 48288827 NBRBTZPXBVACBD-INIZCTEOSA-N 304.390 1.925 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCC2CCCCC2)C1 48264826 GHZMVUBQMFJFMI-ZDUSSCGKSA-N 317.455 1.290 0 40 DDAB COc1ccc(CNC(=O)/C(C2=NCCCN2)=C(/C)O)cc1 103594082 SOAUDLVWGVBXNQ-KAMYIIQDSA-N 303.362 1.535 0 40 DDAB COc1ccc(C)cc1CCNC(=O)CN1CSCC1=O 25827988 CPVGEEDBAOSCFI-UHFFFAOYSA-N 308.403 1.195 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 100616344 RHWMYSAVEUCXPV-YXMSTPNBSA-N 313.353 1.834 0 40 DDAB COC(=O)CCCCCNC(=O)c1cc2c(cc1O)OCO2 48319469 MWZVBYZHIPPJMT-UHFFFAOYSA-N 309.318 1.584 0 40 DDAB O=C(Cn1cc(NC(=O)Nc2ccc(F)cc2)cn1)NC1CC1 48356285 MZPWOPDXGXAVDE-UHFFFAOYSA-N 317.324 1.945 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 12887237 QSSCZALKPGXVBK-ZDUSSCGKSA-N 310.375 1.252 0 40 DDAB O=C(NCc1ccc2c(c1)CCC2)N[C@H]1CCS(=O)(=O)C1 60894728 MNGVQSWTVZUJLB-AWEZNQCLSA-N 308.403 1.162 0 40 DDAB C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 12997326 YSFFNNDXZIZKNM-ZDUSSCGKSA-N 323.356 1.306 0 40 DDAB CCOC(=O)[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)CC 72303231 PXHXLTKJRRKGRL-CMPLNLGQSA-N 300.399 1.243 0 40 DDAB Cc1ccc(N(CCO)C2=NS(=O)(=O)c3ccccc32)cc1 39315666 XADQNCZUFONFSB-UHFFFAOYSA-N 316.382 1.943 0 40 DDAB Cc1cc(OCC(=O)N2CCO[C@@H](C(=O)O)C2)ccc1Cl 49864821 MXFPAEBAVWAXDV-GFCCVEGCSA-N 313.737 1.339 0 40 DDAB Cc1c(Cl)cccc1N1CCN(S(=O)(=O)N(C)C)CC1 4335370 OLNMVIIFAGROOZ-UHFFFAOYSA-N 317.842 1.577 0 40 DDAB CC(C)C[C@@](C)(CN)NS(=O)(=O)Cc1ccc(Cl)nc1 95432101 XZLIJFVMMLUFQU-ZDUSSCGKSA-N 319.858 1.918 0 40 DDAB CC(C)(CCNC(=O)N1CC[C@H](C(N)=O)C1)c1ccccc1 65523149 UEKCWHOLVQNHPJ-ZDUSSCGKSA-N 303.406 1.871 0 40 DDAB Cc1nccc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 65587004 SWVNQSSFKXWUET-IOASZLSFSA-N 320.437 1.535 0 40 DDAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 65613230 JKWIIHAEGFCRCG-BPUTZDHNSA-N 316.401 1.975 0 40 DDAB CCOC(=O)C(C(=O)OCC)[C@@H]1C(=O)N(C)c2ccccc21 4772642 IQAJHLXTBWRNMM-GFCCVEGCSA-N 305.330 1.489 0 40 DDAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(O)c(OC)c1 21186821 QDBHEGWQTXTDAT-ZDUSSCGKSA-N 322.386 1.709 0 40 DDAB O=C(COc1ccccc1F)N1N=CC[C@@]1(O)C(F)(F)F 5751908 RSUPUAHZUFPYDW-LLVKDONJSA-N 306.215 1.674 0 40 DDAB CCn1ccc(=O)nc1SCc1ccc(C(=O)NC)cc1 66748368 BDJDCOGGPXQVDS-UHFFFAOYSA-N 303.387 1.915 0 40 DDAB O=C(NCCO)/C(=C\c1ccccc1)NC(=O)c1ccco1 4837501 JGWQBMUBLOFUEX-ACCUITESSA-N 300.314 1.159 0 40 DDAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)NC(N)=O)c1 7061300 UZVNZVUQADJYJK-JTQLQIEISA-N 304.375 1.856 0 40 DDAB CNc1snc(C)c1C(=O)NCCNC(=O)OC(C)(C)C 67340362 ZLYSUBOZKNLLFV-UHFFFAOYSA-N 314.411 1.748 0 40 DDAB Cc1nnc2ccc(C(=O)NC3(C(=O)O)CCCCC3)cn12 71795782 MDGRNUOVFWMWAS-UHFFFAOYSA-N 302.334 1.555 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(C)s1)C2 90168897 VNGHCEWEKWDOBR-LLVKDONJSA-N 311.432 1.855 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H](C)c1csc2ccccc12 83607803 VJNPRMODKMETOA-VIFPVBQESA-N 312.416 1.628 0 40 DDAB CCC(CC)[C@@H](O)CNS(=O)(=O)c1c[nH]c2ncccc12 96483502 FBOVFAXLUFFUSL-LBPRGKRZSA-N 311.407 1.638 0 40 DDAB Cc1ccc(N2CC[C@H](N3CCCS(=O)(=O)CC3)C2=O)cc1 96424221 NOCLGJLKTCQIEP-HNNXBMFYSA-N 322.430 1.221 0 40 DDAB CS(=O)(=O)CCCN1CCO[C@]2(CCc3ccccc32)C1 95435452 ZTKNQXVDAKUYFQ-MRXNPFEDSA-N 309.431 1.595 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 7990693 PKZMBTVKEBUTQB-RNCFNFMXSA-N 301.346 1.525 0 40 DDAB COC(=O)c1ccoc1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 71892940 IJCNSOATGHKOGH-LLVKDONJSA-N 313.375 1.218 0 40 DDAB NS(=O)(=O)N1CCN(C(=O)CCCC2CCCCC2)CC1 70017830 JRRFDTRNRDKUTB-UHFFFAOYSA-N 317.455 1.085 0 40 DDAB Cc1ncsc1CNC(=O)NCCNC(=O)CC1CCCC1 71803967 AUNXOTMHLMXFAF-UHFFFAOYSA-N 324.450 1.947 0 40 DDAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 70173544 HITABHYHNSAWDU-YPMHNXCESA-N 300.399 1.715 0 40 DDAB CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1Cn1nc(C)cc1C 71865451 PSHRNTXYZSECCX-ZFWWWQNUSA-N 306.410 1.406 0 40 DDAB CC(C)c1cc(NC(=O)CN2CCC[C@H]2Cn2cncn2)on1 69597882 YLGGFIXBKYOIRX-LBPRGKRZSA-N 318.381 1.493 0 40 DDAB CN1N=C(C(=O)N[C@H]2C[C@H]2c2ccccc2Cl)CCC1=O 69507766 CJVGSKBRIZGUSS-GWCFXTLKSA-N 305.765 1.920 0 40 DDAB Cn1ncc(N2CCC[C@H](CCO)C2)c(Br)c1=O 71903124 KMKFPKJAAUPMFG-SECBINFHSA-N 316.199 1.142 0 40 DDAB COCCN1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 69627698 CVYWGOJEEVPHEE-CYBMUJFWSA-N 316.405 1.248 0 40 DDAB Cn1c(SCCOc2ccc3c(c2)CCC(=O)N3)n[nH]c1=O 69666471 GKSSBDKYLFKJLV-UHFFFAOYSA-N 320.374 1.164 0 40 DDAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@@H]1Cn1cccn1 69742092 PQASHZDHJIBLKG-CYBMUJFWSA-N 309.373 1.993 0 40 DDAB Cc1ccc(N2CCCC2)c(C(=O)NCCNC(=O)N(C)C)c1 95458504 IKHHMOSESMJVPO-UHFFFAOYSA-N 318.421 1.596 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)CN(C)c2cnccn2)C1 69872653 PFRSPYWCGCEGIR-CQSZACIVSA-N 314.393 1.281 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2cc(C)no2)C[C@H]1CC 69847513 GTIRLRDTGVFANA-CQSZACIVSA-N 324.425 1.354 0 40 DDAB Cc1ccoc1-c1nnc(CN[C@@H]2CCc3ncnn3C2)o1 69870982 NIJHUDRBYVZAAK-SNVBAGLBSA-N 300.322 1.334 0 40 DDAB O=C1[C@H](N(CCO)Cc2ccsc2)CCN1C1CCOCC1 98016288 YEHNMRHGAVXXCC-OAHLLOKOSA-N 324.446 1.322 0 40 DDAB CCn1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cn1 97036401 QLMJXGHJEWRLAI-ZDUSSCGKSA-N 305.309 1.468 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 97081843 WXOBQTQEPLOXML-NSHDSACASA-N 300.717 1.066 0 40 DDAB O[C@H](COCc1ccccc1Cl)CN1CC(n2cccn2)C1 72254025 BIQINOBFSGLAGH-HNNXBMFYSA-N 321.808 1.971 0 40 DDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)CCO2 72282394 QRLRIKRBGDAYEV-GXTWGEPZSA-N 322.430 1.479 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)NC[C@@H]1CCOC1)C2 72254802 NIJLKSHESZUSDS-WCQYABFASA-N 306.362 1.334 0 40 DDAB Cc1ccccc1CCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 84235669 BWRBASXRVNPSOI-ROUUACIJSA-N 316.445 1.985 0 40 DDAB C[C@H](N[C@@H](CO)c1cnn(C)c1)C(=O)Nc1cccc(Cl)c1 95941437 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1055881305 IUISTLSVKIXFBS-UHFFFAOYSA-N 301.350 1.352 0 40 DDAB O=c1c2c(ncn1Cc1ccccc1OC(F)F)CCNCC2 565360923 CJSSWPGSFJBPNP-UHFFFAOYSA-N 321.327 1.581 0 40 DDAB CN(C)CCCNC(=O)Cc1csc(-c2cccnc2)n1 31868189 ZTJXNSAQZZLODX-UHFFFAOYSA-N 304.419 1.816 0 40 DDAB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 34389053 WUGJBOLEJDOLMJ-MCYUEQNJSA-N 305.717 1.145 0 40 DDAB CCn1cc(Cl)c(-c2cc(O)n3ncc(C(N)=O)c3n2)n1 72391371 RPZSMTCPWIMYSK-UHFFFAOYSA-N 306.713 1.071 0 40 DDAB COC(=O)[C@@H](c1ccccc1F)N1CCC(CC(N)=O)CC1 72578117 FQIWBMCGNVZAEJ-OAHLLOKOSA-N 308.353 1.627 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 45973515 BVZHPJDIZMAKTG-LBPRGKRZSA-N 312.797 1.556 0 40 DDAB COC(=O)c1cc(OC)ccc1OCC(=O)N[C@H](C)C1CC1 48326142 NWLHCOGJDVTFHL-SNVBAGLBSA-N 307.346 1.775 0 40 DDAB C[C@@]1(F)CNCCN(C(=O)NCc2cn3ccccc3n2)C1 574297148 KADCEGGIHDGSFD-OAHLLOKOSA-N 305.357 1.177 0 40 DDAB CSC[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 80773405 DDZLYJRSEJYPMG-SNVBAGLBSA-N 303.453 1.907 0 40 DDAB COc1nc(C)nc(N2CCC[C@H](c3nncn3C)C2)c1C 195567297 JXZSABBAHSBKKY-LBPRGKRZSA-N 302.382 1.615 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N[C@](C)(CN)CC(C)C)c1C 97229355 QSKBNAIVXNKIBR-AWEZNQCLSA-N 316.471 1.562 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3nccs3)C2)n1 96041216 UGXDLHAXMFEFOV-QJPTWQEYSA-N 306.391 1.982 0 40 DDAB CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)[C@@H]3CCOC3)[C@H]2C1 96156965 NZJOCLADXBPEJC-ISWURRPUSA-N 314.385 1.456 0 40 DDAB CNc1cc(C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)ccn1 97675299 ZQEZPRUIKRNNCR-UHFFFAOYSA-N 313.361 1.226 0 40 DDAB O=C1CCCN1[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@@H]21 96040609 MZWIOVTZRHQXIF-LESCRADOSA-N 315.417 1.683 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]2CCC[C@H]21 96437697 DBBOQMAWRNVZES-RWMBFGLXSA-N 300.424 1.395 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4nccs4)C3)C2)nc1 96047717 TUOGGBCLRAUXOH-SWLSCSKDSA-N 317.418 1.779 0 40 DDAB CS(=O)(=O)NCCSc1ncccc1Br 96411971 WDBWDOIFMVDKLN-UHFFFAOYSA-N 311.226 1.485 0 40 DDAB O=C(NCCOC(=O)c1cn2ccccc2n1)c1ccccc1 96442806 KAWUFXBZTYKXGG-UHFFFAOYSA-N 309.325 1.921 0 40 DDAB Cn1nc(C(C)(C)C)cc1C(=O)N=c1nc[nH]n1C(C)(C)C 330414879 CRVVRBLRIATZEH-UHFFFAOYSA-N 304.398 1.738 0 40 DDAB Cc1cccc(N2CCC[C@@]3(C2)CN(S(C)(=O)=O)CCO3)c1 96226266 XGGNIDJRKDKZTM-MRXNPFEDSA-N 324.446 1.626 0 40 DDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCc2[nH]c(=O)ccc2C1 96260627 PBBLWKPPHQZPRR-CQSZACIVSA-N 300.333 1.730 0 40 DDAB O=C1NC2(CCN(c3ncccn3)CC2)C[C@H]1c1cccnc1 96199463 PXNRRSSKVNPYEL-AWEZNQCLSA-N 309.373 1.514 0 40 DDAB CO[C@@H]1CCN(C(=O)CN(C)C)C[C@@H]1Cc1cccc(C)c1 96111159 ULHGKVGXJPEDMS-DLBZAZTESA-N 304.434 1.963 0 40 DDAB Cc1ccc(OC2CCN(C(=O)Cc3ccn[nH]3)CC2)nc1 96501765 KEAOBYJTOJEHHB-UHFFFAOYSA-N 300.362 1.726 0 40 DDAB CCOCC(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109022 NDFPPWDIUZOATE-PBHICJAKSA-N 320.389 1.110 0 40 DDAB CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)cc(=O)[nH]1 96495037 OCHIMBXTRRNZGF-CYBMUJFWSA-N 305.422 1.597 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cnc(C)cn2)n1 257266357 MCQUVBGCIKVMEY-AWEZNQCLSA-N 314.393 1.499 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CCC[C@H]2O)cc1 252587586 ZILOGAQRYJVGBS-OFQRWUPVSA-N 311.447 1.908 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccsc2)CCO1 257314690 UYBQJXBYABFMOU-LLVKDONJSA-N 304.375 1.794 0 40 DDAB CN1CCC(c2nccnc2CNC(=O)c2cnco2)CC1 257344186 ZWCKUKLJXDTZRX-UHFFFAOYSA-N 301.350 1.204 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3ncco3)n2)C1 257328357 XFGYMPRBHIIPGS-JTQLQIEISA-N 308.363 1.271 0 40 DDAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H]1C[C@@H](CO)[C@H](O)C1 85468377 AXEQWABOWAWPIU-SDDRHHMPSA-N 321.402 1.104 0 40 DDAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)CN)n1 257238055 HJJLLNTXPRFLCQ-SNVBAGLBSA-N 319.394 1.002 0 40 DDAB Cc1nc(NC(=S)N[C@H]2C=CS(=O)(=O)C2)sc1C 575420813 FHKHYBPCTYQKJG-QMMMGPOBSA-N 303.434 1.357 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccccc1S(=O)(=O)C(F)F 585140155 ZPFPLYLXXPRIEA-VIFPVBQESA-N 319.329 1.592 0 40 DDAB O=C(O)CCC(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1 585269565 ZHZNLIDLIYECRE-HNNXBMFYSA-N 311.309 1.033 0 40 DDAB O[C@@]1(COc2ccc(F)cc2)CCCN(Cc2ncc[nH]2)C1 585275132 XWXJZTWTFDFZCD-INIZCTEOSA-N 305.353 1.955 0 40 DDAB CSCCN1CCCN(C)CCN(C)CCCN(C)CC1 68604322 WYZDHBAKWWRHMM-UHFFFAOYSA-N 316.559 1.241 0 40 DDAB CC(C)Nc1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 72364969 DWSVTVGSCXNDJL-LBPRGKRZSA-N 312.439 1.511 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)s1 54798057 SRAYQBLXANFZFG-CYBMUJFWSA-N 324.427 1.870 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1Cl 62021746 WCSGPSZTEWEAPT-ZDUSSCGKSA-N 319.810 1.788 0 40 DDAB Cc1nn(CCO)c(C)c1CNC1CCN(C(=O)C(C)C)CC1 97159925 QTKPSLPUUMQENT-UHFFFAOYSA-N 322.453 1.229 0 40 DDAB CCCCNC(=O)NC(=O)CS(=O)(=O)c1ccc(C)cc1 1727008 UXBNRJAHWPEWMZ-UHFFFAOYSA-N 312.391 1.395 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(C/C=C/c4ccccc4)C(=O)[C@@H]13)O2 4151743 NNUJCNWGCDEOES-MSIZRPHASA-N 311.337 1.566 0 40 DDAB CCC[C@H](C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O 5561004 ZBLWBROJIZFBDD-LLVKDONJSA-N 311.359 1.563 0 40 DDAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n2ncnc2n1 5000221 OALZYTFSZKNYII-UHFFFAOYSA-N 318.381 1.490 0 40 DDAB O=C(O)C[C@@H](SCC(=O)Nc1ccc(Cl)cc1)C(=O)O 16428277 UDCPKYVWSXUVQL-SECBINFHSA-N 317.750 1.940 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2nc3ccccc3[nH]2)CCO1 19747071 DSRUSWZOPCGCBF-INIZCTEOSA-N 302.378 1.242 0 40 DDAB Cc1c(C(=O)NCc2cnc[nH]c2=N)cnn1C1CCCCC1 542827006 RPXGRMZAYOZQQJ-UHFFFAOYSA-N 314.393 1.829 0 40 DDAB CC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 20347358 NXJMPLSHDSOLII-XJKCOSOUSA-N 307.390 1.738 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 21266124 UNVZQBYROHNDKN-RYUDHWBXSA-N 305.378 1.693 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888856689 YRSVWEYWJYXQOI-UWVGGRQHSA-N 306.416 1.808 0 40 DDAB Cc1nc(C(=O)O[C@H]2CCOC2=O)nn1-c1ccc(F)cc1 16397738 OKMGUHJZGVKPAC-NSHDSACASA-N 305.265 1.187 0 40 DDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 22910549 ABUOMMKZNBSIOC-RYUDHWBXSA-N 309.366 1.585 0 40 DDAB NC(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 24939876 OQIZFUHHZAGHID-UHFFFAOYSA-N 313.313 1.973 0 40 DDAB O=C1CN(C(=O)Cc2csc(-c3ccsc3)n2)CCN1 23420612 FVXIDPDSXOWDNB-UHFFFAOYSA-N 307.400 1.373 0 40 DDAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)[C@H]1CCOC1 245108436 SXALNIRWKJFKEO-NHYWBVRUSA-N 307.371 1.730 0 40 DDAB CN(C)C(=O)CN1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 2037658291 JTLNJEJLEAPYJW-HNNXBMFYSA-N 315.417 1.747 0 40 DDAB CCOc1ccc(CC(=O)N2CCC[C@H]2Cn2nccn2)cc1 618255018 KPXSEYKCXOYKPP-HNNXBMFYSA-N 314.389 1.911 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@H]2C1 1565545845 QMUHHAZSMRJLSS-GXFFZTMASA-N 311.332 1.153 0 40 DDAB O=C(CSc1nncc(O)n1)Nc1ccc2c(c1)OCO2 4248963 ZTOHXILPBTWPJK-UHFFFAOYSA-N 306.303 1.037 0 40 DDAB O=C(NCc1nnnn1-c1cccc(F)c1)c1ccc(F)cc1 10593378 AIZMRVFDNJZDIS-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB Cn1nnc2c(SCC(=O)Nc3cccc(F)c3)ncnc21 13531761 HROOGKHIKRBSBL-UHFFFAOYSA-N 318.337 1.628 0 40 DDAB CCS(=O)(=O)N1CCc2ccc(NC(=O)C3CC3)cc2C1 17316586 UDZXFTCMRUCPQN-UHFFFAOYSA-N 308.403 1.743 0 40 DDAB CC(C)N1C[C@H]2[C@H](CC(=O)Nc3cnccn3)COC[C@H]2C1 2055718340 BEHHUKNSHDDERM-MCIONIFRSA-N 304.394 1.408 0 40 DDAB O=C(Nc1nc(C(=O)NC[C@@H]2CCCO2)co1)c1ccsc1 206623705 IKGCMIQIIIIMSH-JTQLQIEISA-N 321.358 1.897 0 40 DDAB Cc1ccc(O)c(NC(=O)C[C@H](NCc2ccco2)C(=O)O)c1 4939791 FCDFWWDHYRAGLG-ZDUSSCGKSA-N 318.329 1.865 0 40 DDAB C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1 75156259 AGVJRVQMWJWSIM-SJCJKPOMSA-N 316.357 1.481 0 40 DDAB CCOc1ncccc1C(=O)NCc1c(C)cc(C)[nH]c1=O 10458342 YLDDROWSFGUFGP-UHFFFAOYSA-N 301.346 1.715 0 40 DDAB CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 68048 FVPDYNTXRSMMOC-UHFFFAOYSA-N 312.391 1.291 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccn(C)c(=O)c1)c1ccsc1 40498967 QZMAIIZMAHKZTQ-CYBMUJFWSA-N 305.403 1.480 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 40540175 JAUGLSRRNOJFGM-QMTHXVAHSA-N 321.356 1.056 0 40 DDAB CN1C(=O)c2ccc(C(=O)NC3CCCC3)cc2S1(=O)=O 40555406 PHDIVUQROQGPBL-UHFFFAOYSA-N 308.359 1.133 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 40520224 ZASBDQZTWLRIRV-JTQLQIEISA-N 323.340 1.618 0 40 DDAB COC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1 21201600 VYNLDEOHAQEQFS-OAHLLOKOSA-N 317.385 1.899 0 40 DDAB C[C@H]1C[C@H](OC(=O)c2ccc(CS(C)(=O)=O)cc2)C(=O)O1 32736513 JQOAJENWOXYYEH-CABZTGNLSA-N 312.343 1.092 0 40 DDAB O=C(NC1CCCC1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 302606 QVKJQVVMMQQGJY-UKRRQHHQSA-N 318.373 1.679 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCc1ccncc1 61722031 ASXOHEIJPRGVEW-UHFFFAOYSA-N 312.373 1.224 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2nnc(-c3ccco3)s2)C1 47785693 FRUGZLVGSIFLKX-SSDOTTSWSA-N 307.335 1.137 0 40 DDAB CC(C)c1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900678 HEJCZZAZURQCRK-SNVBAGLBSA-N 318.381 1.395 0 40 DDAB CC(C)[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccn1 78980569 ZEKANKIBXBCYOH-WBMJQRKESA-N 316.405 1.841 0 40 DDAB CCOC(=O)[C@@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(C)C 1761440 MXYBMLFDVFOETP-MNOVXSKESA-N 316.423 1.000 0 40 DDAB Cc1ccccc1-c1cc(NC(=O)[C@@H]2CN(C)CCO2)[nH]n1 85516530 UHLAFVHBEAHJOX-AWEZNQCLSA-N 300.362 1.654 0 40 DDAB COc1ccc(C(C)=O)c(OCC(=O)NCC(F)(F)F)c1 3388965 SWINMGVWZSCDRL-UHFFFAOYSA-N 305.252 1.955 0 40 DDAB Cn1c(COc2ccccc2Cl)nnc1SCC(N)=O 4947436 LEMSRGLMKYCZGU-UHFFFAOYSA-N 312.782 1.625 0 40 DDAB O=C(O)C1=C[C@@H](c2cccc(Br)c2)n2nnnc2N1 4998547 KEIOGYBCFQFBRB-VIFPVBQESA-N 322.122 1.419 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 6471805 WCOUHHYSRYACPO-UHFFFAOYSA-N 315.391 1.481 0 40 DDAB Cc1oc(C(=O)O)cc1CNC(=O)[C@@H](N)Cc1ccccc1 6473104 AMBHIHYUILDKME-ZDUSSCGKSA-N 302.330 1.472 0 40 DDAB Nc1nnnn1NCc1ccccc1OCc1ccccc1F 7602436 VBGFYSFHUJYQHD-UHFFFAOYSA-N 314.324 1.717 0 40 DDAB CN(C)c1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 3243004 DAYGMQZFKGEJHM-AWEZNQCLSA-N 306.362 1.205 0 40 DDAB Nc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 3226347 NVWATUJGRHJHMC-UHFFFAOYSA-N 322.368 1.779 0 40 DDAB CSc1nc(COC(=O)c2n[nH]c3ccccc23)cc(=O)[nH]1 12603896 XORPNXWFWOPBHD-UHFFFAOYSA-N 316.342 1.725 0 40 DDAB CC(=O)N1CCC(NC(=O)c2ccc(-n3cncn3)cc2)CC1 48275808 MKADNIVLJFHAPX-UHFFFAOYSA-N 313.361 1.008 0 40 DDAB COc1cccc([C@@H](CNC(=O)NCc2cc[nH]n2)N(C)C)c1 48248630 QUVGNVWOSFNJOC-OAHLLOKOSA-N 317.393 1.520 0 40 DDAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)no1 27348975 JAFCRHMJYIZBDO-OAHLLOKOSA-N 314.345 1.095 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccnc1 48236319 ONUZFUZQPWHULA-TZMCWYRMSA-N 313.357 1.901 0 40 DDAB O=C(c1ccoc1)N1CCN(Cc2cn3ccccc3n2)CC1 44893084 BUKCUPFFZSKLCV-UHFFFAOYSA-N 310.357 1.885 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccccc1N1CCOCC1 58327120 KKHGBPOCQKNBIM-CYBMUJFWSA-N 319.405 1.168 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 113942068 QQPYRCIAPFYILV-UHFFFAOYSA-N 310.419 1.919 0 40 DDAB Cc1ncsc1CN1C[C@H](C(=O)NC2CC2)[C@H]2OCC[C@H]21 108525762 RTYGMHUSEFMTDA-OUCADQQQSA-N 307.419 1.319 0 40 DDAB CCc1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)o1 28884289 DBZZVYRIQHDULL-UHFFFAOYSA-N 322.386 1.561 0 40 DDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CCCCC1)C2=O 3563744 JQXNPSCJRVCOHV-YVEFUNNKSA-N 321.421 1.936 0 40 DDAB COC(=O)CCCNC(=O)c1ccc(N2CCC(C)=N2)cc1 46917465 YBBBWOSEBVRBSY-UHFFFAOYSA-N 303.362 1.956 0 40 DDAB CN1CC(=O)N(C[C@@H](O)COCc2ccccc2Cl)C1=O 12917996 IRSMZZSKVDOUKK-LLVKDONJSA-N 312.753 1.112 0 40 DDAB c1cc2c(cc1C1=NN=C(N3CCNCC3)SC1)OCO2 38478394 LCSNIHAOONEBSN-UHFFFAOYSA-N 304.375 1.127 0 40 DDAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn21 13728044 IPSATZDCRAMFNU-SNVBAGLBSA-N 301.306 1.117 0 40 DDAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2cc(=O)n(C)c(=O)n2C)C1(C)C 84671178 LNRQGEBDPKPKJJ-TZMCWYRMSA-N 320.389 1.366 0 40 DDAB COC[C@H](O)CN(C)C(=O)NCc1ccc(-n2cccn2)cc1 65418661 GPWBYZVUZZXXMP-OAHLLOKOSA-N 318.377 1.021 0 40 DDAB CN(C)C(=O)CN1CCN(C(=O)CCCc2cccs2)CC1 14170811 QOEXOMMWYAPWJW-UHFFFAOYSA-N 323.462 1.303 0 40 DDAB O=C(Cc1ccc(Cl)c(Cl)c1)NCC(=O)NC1CC1 6989490 UDCPGHGGZJBQDZ-UHFFFAOYSA-N 301.173 1.931 0 40 DDAB Cc1ccc(N2CCCN(Cc3cnn(C)c3C)CC2)nn1 95422606 VITCOBLNUYPBHS-UHFFFAOYSA-N 300.410 1.539 0 40 DDAB NCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 19898672 UOCPCKLWTQVPRU-UHFFFAOYSA-N 307.394 1.208 0 40 DDAB biogenic O=S(=O)(c1cccc2cnccc12)N1CCN(C2CC2)CC1 96402389 NNSJKGVMEHGBIC-UHFFFAOYSA-N 317.414 1.704 0 40 DDAB Cc1cnn(C2CN(CC(=O)NCC3(c4ccccc4)CC3)C2)c1 71876792 XQJCESCXMYGHBF-UHFFFAOYSA-N 324.428 1.896 0 40 DDAB CCCC(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 19924215 JULUNCRDTUYKFW-UHFFFAOYSA-N 302.382 1.607 0 40 DDAB Cc1cc(C)n2nc(C(=O)N[C@H](CC(C)C)CN(C)C)nc2n1 69416206 YYBRWNRBNJCNHN-CYBMUJFWSA-N 318.425 1.447 0 40 DDAB COc1ccccc1CCNC(=O)N1CCC[C@H](N(C)C)C1 83847928 UIFGJGPLXICUHZ-HNNXBMFYSA-N 305.422 1.973 0 40 DDAB CNC(=O)Cc1ccccc1NC(=O)NC1CCSCC1 69595845 BUBJBFIRRNVOEH-UHFFFAOYSA-N 307.419 1.992 0 40 DDAB CN(C)C(=O)CN(C)S(=O)(=O)Cc1ccccc1Cl 69561914 QLGVQCTWOSJUNM-UHFFFAOYSA-N 304.799 1.190 0 40 DDAB C[C@@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1ccc(F)cc1 17734212 OGUGIXIMKGUIAQ-SECBINFHSA-N 321.308 1.304 0 40 DDAB Cc1noc(CNC(=O)c2cccnc2N2CCCCC2)n1 69897355 RLTMRVFCBWKQLL-UHFFFAOYSA-N 301.350 1.693 0 40 DDAB C[C@@H](C(=O)NC1CCCCCC1)N1CCO[C@H](CN(C)C)C1 69808362 SJQGJGCBAHXGCG-GOEBONIOSA-N 311.470 1.476 0 40 DDAB Cc1noc(C)c1Cn1cnc2c(nnn2-c2ccccc2)c1=O 84025483 JQFHHOLNYDOGGQ-UHFFFAOYSA-N 322.328 1.630 0 40 DDAB CNCC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 97019816 ZDQFLNUOBMVELD-UHFFFAOYSA-N 301.274 1.776 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269097 RHDAWVHRYNVVRO-GJZGRUSLSA-N 310.344 1.636 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNCc2c(C)noc2C)ncn1 72276608 ZKKVXAHOQLNYGN-CYBMUJFWSA-N 316.409 1.882 0 40 DDAB CC(=O)NC1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CCCCC1 72282982 XOCYACJBEITQRC-AWEZNQCLSA-N 318.421 1.955 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NCCOc1ccc(F)cc1F 72270006 UQKJMHNDEKTLQG-LLVKDONJSA-N 324.331 1.928 0 40 DDAB Cc1cc(CC(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)no1 84294649 BDMYTZRYJIYXTJ-LBPRGKRZSA-N 319.365 1.418 0 40 DDAB CC(C)(C)N1C[C@H](NC(=O)c2ccc3[nH]cnc3c2)CC1=O 72309471 NXJGZCIYZMKWQT-LLVKDONJSA-N 300.362 1.692 0 40 DDAB COCCN(C)c1ccccc1CNC(=O)[C@@H]1OCC[C@H]1C 97228734 VJIQAPIZIJJEAO-CZUORRHYSA-N 306.406 1.810 0 40 DDAB Cn1ncc2c1CCC[C@H]2Nc1ncnc2c1cnn2CCO 97200273 JZOCXAFRPAMDOM-GFCCVEGCSA-N 313.365 1.042 0 40 DDAB O=c1[nH]c(NC[C@@H](O)COc2ccccc2)nc2ccccc12 97995047 XXUWZXODQFWAPK-GFCCVEGCSA-N 311.341 1.775 0 40 DDAB Cc1[nH]c(=O)c(C(=O)NCc2ncc[nH]2)cc1Br 97379205 DQNJBQNHAILNRY-UHFFFAOYSA-N 311.139 1.099 0 40 DDAB Cc1c(/C=C/C(=O)NS(=O)(=O)[C@H](C)CC(C)C)cnn1C 95975574 HFFJQCBLWWNJAW-XUIVZRPNSA-N 313.423 1.622 0 40 DDAB O=C(NCCCCn1ccnc1)c1ccnc(-n2cncn2)c1 95954929 PZBGMSDUVZLXSG-UHFFFAOYSA-N 311.349 1.069 0 40 DDAB O=C1CC[C@H](C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CN1 95949616 NIEVKLQDIWRMEH-YJBOKZPZSA-N 323.396 1.946 0 40 DDAB CNC(=O)NCC(=O)/N=c1/sccn1Cc1ccccc1F 89570864 QZRKQVIWXCKVIZ-NBVRZTHBSA-N 322.365 1.093 0 40 DDAB Cc1ccc(C(=O)NCCCN2CCCCCC2=O)c(=O)[nH]1 75118514 ITLAJGVLZHNYMS-UHFFFAOYSA-N 305.378 1.206 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1ccc(C)nc1)CC2 89986361 FYBBGNWVRZEOBB-HZPDHXFCSA-N 318.417 1.711 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1CCN1C(=O)CCC1=O 89949287 JPJUCNSFNZNJFY-HNNXBMFYSA-N 315.417 1.866 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(-c2cccs2)[nH]c1=O 89938464 GIJKABPSRSWYFN-NSHDSACASA-N 317.414 1.880 0 40 DDAB Cn1cc(CCC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cn1 76636885 AHBKQMXULBYVFA-CQSZACIVSA-N 312.373 1.044 0 40 DDAB NC(=O)/C=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 409171477 CABLOQZFPHIQJW-HJWRWDBZSA-N 306.343 1.257 0 40 DDAB COc1cccc(CN2CCC(C(=O)NCCN(C)C)CC2)c1 178647765 RAOLRSLQIZSCHB-UHFFFAOYSA-N 319.449 1.585 0 40 DDAB CO[C@H]1C(=O)N(c2cccc(Br)c2)[C@H]1C(=O)O 218278108 URIMZIHSRBQCOS-RKDXNWHRSA-N 300.108 1.264 0 40 DDAB CCOC(=O)/C=C1/CCCn2c1ncc(C(=O)OCC)c2=O 31772286 BAESFPJDLRNSHO-NTMALXAHSA-N 306.318 1.160 0 40 DDAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCOCC1 38756808 AFCJZKKECMXHPS-INIZCTEOSA-N 324.396 1.822 0 40 DDAB C[C@]1(CNC(=O)c2nccnc2C2CCNCC2)CCCO1 72365724 VNLZLNFQXGLYSL-MRXNPFEDSA-N 304.394 1.243 0 40 DDAB CC1CCN(C(=O)Cn2nc3oc4ccccc4n3c2=O)CC1 72347069 YBCDCXHGLPBTAF-UHFFFAOYSA-N 314.345 1.501 0 40 DDAB CC(C)C(=O)N1CCN(c2ccc(-n3cnnc3)cc2N)CC1 70461870 KVUGUTDGLQOMLI-UHFFFAOYSA-N 314.393 1.154 0 40 DDAB COc1cccc(-c2c3c(=O)n(C)ccc3nc3ncnn23)c1 40398225 XPGHJIHHRAMCKA-UHFFFAOYSA-N 307.313 1.652 0 40 DDAB COC(CN1CCN(C(=O)Cc2ccc(C)cc2)CC1)OC 136755462 CHULFQFWBXTWFW-UHFFFAOYSA-N 306.406 1.301 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccoc3)C2)n1 225403779 UJWDHHZFLACDRP-GFCCVEGCSA-N 302.334 1.429 0 40 DDAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccoc1 225637200 GRGZAUVPFGDRQM-ZDUSSCGKSA-N 314.297 1.730 0 40 DDAB O=C(C[C@H]1COCCN1C[C@@H](O)C(F)(F)F)c1cccs1 195572121 XLRZGAWXNAGCEQ-JOYOIKCWSA-N 323.336 1.945 0 40 DDAB Cc1ccc(O[C@@H](C)CNC(=O)NCc2cnn(C)c2)cc1 96439396 FOBVYAFUXKFHCH-ZDUSSCGKSA-N 302.378 1.995 0 40 DDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCCCC3)OCC(=O)N2C)cc1 96181588 IORIWPABUKOWAU-IRXDYDNUSA-N 316.401 1.906 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(=O)n(C)n1 96423989 VDSAYMZHOYRRGA-LBPRGKRZSA-N 312.373 1.656 0 40 DDAB C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 97378457 WFQFGKHTBJICGU-WCQYABFASA-N 307.419 1.089 0 40 DDAB c1coc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 96087214 LSIHFZQJKDQRKK-AWEZNQCLSA-N 311.345 1.622 0 40 DDAB CN(Cc1nc2c(s1)CCCC2)c1ccc2nnnn2n1 96447507 VSKKTTWWJZDLOV-UHFFFAOYSA-N 301.379 1.491 0 40 DDAB CN1CCN(C(=O)CN2C(=O)CC(C)(C)c3ccccc32)CC1 96183216 XKSCKEUDWDZZRR-UHFFFAOYSA-N 315.417 1.475 0 40 DDAB Cn1cc(CN2CCCn3cnc(COCC4CC4)c3C2)cn1 96059017 KWKWVTIOUDVZLN-UHFFFAOYSA-N 315.421 1.949 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4c(C)noc4C)C[C@H]3O2)n1 96220715 GXSKTFYIGMOGFZ-KCQAQPDRSA-N 318.377 1.815 0 40 DDAB COc1ccc(S(=O)(=O)NCCN[C@H]2CCC[C@@H]2C)cc1 95410398 ALTXAXHUSIFUPW-WFASDCNBSA-N 312.435 1.752 0 40 DDAB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)C1CC1 96520063 GXDJWTBCNJZJKG-NTSWFWBYSA-N 324.567 1.130 0 40 DDAB CO[C@@H]1CSC2(C1)CN(C(=O)COc1ccc(F)cc1)C2 247888653 SMRRUYBIHHZWBR-ZDUSSCGKSA-N 311.378 1.937 0 40 DDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(C)noc1C 53699637 KVZDNMRXLXFWTP-SNVBAGLBSA-N 302.352 1.008 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2csc(C(C)C)c2)CCO1 257207891 BJUJPVHVRNODBB-HNNXBMFYSA-N 310.419 1.849 0 40 DDAB COCc1c(C(=O)N2CCC[C@@H]2c2ccncn2)noc1C 257236852 HEAUFDPKPYLFMG-CYBMUJFWSA-N 302.334 1.897 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)n1 257270209 MTEFNJBDIRGKEY-CYBMUJFWSA-N 300.366 1.387 0 40 DDAB COc1cccc(CN2CCC[C@]2(C(N)=O)c2cnccn2)c1 257341432 ZKHBHANVUYMMRI-QGZVFWFLSA-N 312.373 1.462 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2cccn2)[C@H](c2ccccc2)C1 257215899 CSCISQGMVSNPKR-INIZCTEOSA-N 312.373 1.315 0 40 DDAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(OCC(=O)O)cc1 263073469 PHZOCOKECKDEGQ-CJYSPXJISA-N 319.357 1.895 0 40 DDAB Cn1c(C2CC2)n[nH]c1=NC(=O)c1ccc(Br)cn1 585113384 YSFMTQFVOFKDRV-UHFFFAOYSA-N 322.166 1.524 0 40 DDAB Cc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)n1 585293531 YZXGMIFGARJSDR-KZNAEPCWSA-N 316.376 1.850 0 40 DDAB CNC(=O)NC(=O)CCN1CC=C(c2ccc(O)cc2)CC1 32754377 NAKBHKJRFNUJPB-UHFFFAOYSA-N 303.362 1.327 0 40 DDAB Cn1nc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)ccc1=O 79181558 TYXQJWBALNWVAE-GFCCVEGCSA-N 311.263 1.814 0 40 DDAB Cc1ccc2nc(CSCCS(C)(=O)=O)cc(=O)n2c1 60512370 OQFRTWOGRPDFJG-UHFFFAOYSA-N 312.416 1.281 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78901508 QZWZIEYKEACNJS-SNVBAGLBSA-N 317.349 1.133 0 40 DDAB COC(=O)N1C=C[C@@H]2ON=C(S(=O)(=O)c3ccccc3)[C@@H]2C1 5760483 LMVFITDZDJFDCX-NEPJUHHUSA-N 322.342 1.385 0 40 DDAB CN(CN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)c1ccccn1 5832507 ZXDGVAMJEFKTIL-HNNXBMFYSA-N 322.368 1.864 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 17055316 CLGZTQDXVYJPLL-IKARSPCKSA-N 320.389 1.541 0 40 DDAB c1ccc(-c2nnn(C[C@@H]3CCCN3Cc3ccncc3)n2)nc1 19403522 UWAPQRRFJBGDNL-HNNXBMFYSA-N 321.388 1.795 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H]2CO)nn1-c1ccc(F)cc1 154064402 JIMHWEOZQICKSW-CQSZACIVSA-N 303.337 1.917 0 40 DDAB O=S(=O)(NCc1ccccn1)c1ccc2c(c1)OCCCO2 7059609 YOBLTOBSYXIRIU-UHFFFAOYSA-N 320.370 1.721 0 40 DDAB c1ccc(N2C[C@H]3CN(Cc4nnc5n4CCC5)C[C@@H]3C2)cc1 1888853340 GZSPVFIXPJNZKG-HUUCEWRRSA-N 309.417 1.793 0 40 DDAB C[C@@H]1CN(c2ncncc2F)CCN1Cc1ccncc1F 2086872214 KCMVWNWUZIJWNZ-LLVKDONJSA-N 305.332 1.861 0 40 DDAB O=C(c1cccc2ccccc12)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585387183 OTHWXRDSKJTOEB-HOTGVXAUSA-N 320.348 1.669 0 40 DDAB CC(C)Oc1cncc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 97096801 XXAFNMCQEMPYMO-MRXNPFEDSA-N 317.393 1.749 0 40 DDAB C[C@H](CNS(=O)(=O)N1CCCCCC1)CN1CCCCC1 40156758 JGEQOJRHSYXWKX-OAHLLOKOSA-N 317.499 1.819 0 40 DDAB O=C(O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 20200922 NYEDKMDIAZXUII-GFCCVEGCSA-N 308.378 1.101 0 40 DDAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(CC2CC2)C1 40508563 RTTQWCYDRUKNOB-SNVBAGLBSA-N 305.403 1.829 0 40 DDAB CC(C)N1C[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O 40506267 GNEONKARACHCFF-QWHCGFSZSA-N 323.462 1.724 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1CCCC[C@H]1C 40528137 PHLJPLHWFRTRQJ-SNVBAGLBSA-N 301.412 1.444 0 40 DDAB COC(=O)NCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 52011243 VRSIPPLROYZINX-UHFFFAOYSA-N 309.362 1.671 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 32827199 KZHZMZNTFGTWET-QWRGUYRKSA-N 314.407 1.838 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 102607453 BFTMYNDMAXSOPF-WFZWMLOVSA-N 316.401 1.298 0 40 DDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1nc2ccccc2s1 32912459 ZXPGDXWBASTHIN-SCZZXKLOSA-N 308.384 1.446 0 40 DDAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)O)ccc12 489082 MPRHVYQJIDBFNO-SECBINFHSA-N 319.313 1.324 0 40 DDAB biogenic CN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)cc2C1=O 77151364 LWRMFWGTXRZQNV-FZMZJTMJSA-N 316.357 1.193 0 40 DDAB COc1ccc(CNC(=O)N[C@@H](C)Cn2ccnc2)cc1OC 47645368 ZMBXVSUXOXYPQG-LBPRGKRZSA-N 318.377 1.788 0 40 DDAB O=C(CCCn1nnc2ccccc2c1=O)NCc1ccco1 425471 RUGGEFYERNOMFG-UHFFFAOYSA-N 312.329 1.481 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1 78771188 IDXLAPQAISPFAG-HUUCEWRRSA-N 316.409 1.734 0 40 DDAB Cn1cc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cn1 24015639 XZFSKENNDDGCMQ-AWEZNQCLSA-N 313.336 1.812 0 40 DDAB COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCCC1 4230569 ISZKYJDASITVGO-AWEZNQCLSA-N 305.357 1.644 0 40 DDAB CCOC(=O)N1C=C[C@@H]2[C@H](CC(=O)OC)[C@@H]2N1C(=O)OCC 4972227 CZCLSKFSHRSIQZ-JFGNBEQYSA-N 312.322 1.523 0 40 DDAB CC(C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 6327633 FHANOQWMCMVQJG-UHFFFAOYSA-N 312.435 1.831 0 40 DDAB O=c1nc(CNCCO)[nH]c2scc(-c3ccccc3)c12 57211567 NEQOXEWXQNLFLV-UHFFFAOYSA-N 301.371 1.734 0 40 DDAB CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 35308071 FMYNOOFLLCHXIO-UHFFFAOYSA-N 307.369 1.564 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N(C)C1CCCCC1 108081614 QDXVIBVFWRRIMO-KBPBESRZSA-N 312.410 1.040 0 40 DDAB CC[C@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@H]1N1CCOCC1 84736037 WMMGAHRKOHZWIK-DZGCQCFKSA-N 321.421 1.981 0 40 DDAB COc1cc(OC)cc(N2C(=O)C[C@H](N3CCCCC3)C2=O)c1 26018106 USDLDSHYYVLMOT-HNNXBMFYSA-N 318.373 1.822 0 40 DDAB CON(C)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 48178627 KKQKLHOVZKMDSA-LURJTMIESA-N 321.196 1.649 0 40 DDAB CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 9260879 ONMPQOJCGQPWNB-YRNVUSSQSA-N 306.343 1.607 0 40 DDAB CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cn2)CC1 48278041 FUXAAEVSCPADCN-AWEZNQCLSA-N 316.405 1.213 0 40 DDAB CCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 10027953 SHZNRUWXLHIBRW-UHFFFAOYSA-N 300.380 1.085 0 40 DDAB C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccncc1 48276170 ARHKYLIFPXRJPZ-GFCCVEGCSA-N 308.341 1.669 0 40 DDAB CCCOc1ccccc1CN1CCn2c(CO)nnc2C1 57822998 FTGBHRFRHSGVIQ-UHFFFAOYSA-N 302.378 1.575 0 40 DDAB CCc1nnsc1C(=O)NCc1c(C)nn(CCOC)c1C 58169166 GIMXSAFFAMCRPM-UHFFFAOYSA-N 323.422 1.490 0 40 DDAB CNC(=O)[C@H]1C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)C[C@H]1O2 107806554 VYTVIWFZTZAWHE-RWMBFGLXSA-N 323.780 1.707 0 40 DDAB O=C(Nc1ncc(Cc2ccccc2F)s1)C1=NCCN1 27461085 QEAQXJXVYFGRMW-UHFFFAOYSA-N 304.350 1.813 0 40 DDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NC(C)(C)C 58404972 DKNARFLCBODHRY-UHFFFAOYSA-N 314.389 1.988 0 40 DDAB C[C@@H](OCCCNC(=O)N1CC[C@H](C(N)=O)C1)c1ccccc1 45160079 YQHDTXPDNQKOKY-HIFRSBDPSA-N 319.405 1.671 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1C 10747681 YJNGXAITQYXRLT-VMPCVLLUSA-N 305.330 1.985 0 40 DDAB CCCS(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1 36398253 MIHYDHLJPIEZAE-UHFFFAOYSA-N 311.407 1.016 0 40 DDAB COc1cc(CNC(=O)N[C@H]2CCN3CCCC[C@H]23)ccn1 45521823 UCKAAXSDQKDVIT-UONOGXRCSA-N 304.394 1.516 0 40 DDAB CN(Cc1ccsc1)S(=O)(=O)c1ccc(C(N)=O)cc1 12864114 HJNUJFPLTRGDJX-UHFFFAOYSA-N 310.400 1.668 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccccc1 12880759 PXYXTWAXPZXDSX-CYBMUJFWSA-N 303.358 1.746 0 40 DDAB O=C1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CN1C1CCCC1 46492820 XGWYKMXQJSVBEX-CWRNSKLLSA-N 320.433 1.948 0 40 DDAB CCN(CC)CCN[C@@H](CC(=O)Nc1ccc(O)cc1)C(=O)O 27460322 OYTCMZGBGAFTPX-AWEZNQCLSA-N 323.393 1.105 0 40 DDAB CC1(C)C[C@@H](NCCN2C(=O)c3ccccc3C2=O)CCO1 12389849 XHXFMTYYLUZPEV-LBPRGKRZSA-N 302.374 1.830 0 40 DDAB C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 3618055 PGSIBSVOWOZOCM-LBPRGKRZSA-N 308.341 1.669 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306123424 AMTMPSPQVGUNSG-CQSZACIVSA-N 322.430 1.579 0 40 DDAB CC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4063129 FPHRLNBKMDDMRT-LBPRGKRZSA-N 319.313 1.329 0 40 DDAB biogenic Cc1ccccc1NC1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 95423246 JAQYYBMJXGKVMB-JKSUJKDBSA-N 324.446 1.029 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc2c(c1)OCO2 6053022 KZKFCEFBDCPPTB-CYBMUJFWSA-N 314.301 1.469 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C(=O)O)C(C)C)c(OC)c1 5253343 HULQNUDUILTASB-ZDUSSCGKSA-N 310.350 1.612 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCN1CCCC1=O 65550411 IMUUPIZXWHLKIJ-UHFFFAOYSA-N 304.346 1.386 0 40 DDAB NC(=O)CCNCc1csc(-c2ccc3c(c2)OCO3)n1 95452871 RUJOLRBFXVVHPC-UHFFFAOYSA-N 305.359 1.504 0 40 DDAB COc1cc(OC)cc(C(=O)Nc2nn3cnnc3s2)c1 14168081 HWEWPJWFVSRUQS-UHFFFAOYSA-N 305.319 1.455 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1 14232171 DVCZAVMVQQXLDF-UHFFFAOYSA-N 322.390 1.173 0 40 DDAB COC(=O)c1cn([C@H]2CCCC[C@@H]2OC(=O)c2ccoc2)nn1 66538693 HDRHRQUVMURTCW-STQMWFEESA-N 319.317 1.998 0 40 DDAB O=C1OCCN1CCN1CCO[C@H](c2ccc(F)c(F)c2)C1 66849832 JNGVDQSGAPLPMX-AWEZNQCLSA-N 312.316 1.790 0 40 DDAB CCN(CC)c1ccc(C(=O)OCc2nc(N)nc(N)n2)cc1 6974651 IFMROBJXRCVGHR-UHFFFAOYSA-N 316.365 1.239 0 40 DDAB COC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7376608 GTVNPBWIEKNJCG-UHFFFAOYSA-N 313.253 1.037 0 40 DDAB CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ncccc2Cl)CC1 96499664 MAIKPKZARBHNKX-AAEUAGOBSA-N 310.829 1.757 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCN1CCO[C@H](Cn2cncn2)C1 70038562 WDTXTQQVNXBWOA-PMPSAXMXSA-N 308.426 1.574 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1csc(C)n1 71841267 BEWSSWQWXWLXGY-UWVGGRQHSA-N 312.439 1.596 0 40 DDAB COc1ccc2oc(C)c(C(=O)N3CCNC(=O)CC3)c2c1 71839486 AVRLFZGYLURSFJ-UHFFFAOYSA-N 302.330 1.712 0 40 DDAB O=C1CCCN1C[C@H](O)CNc1ncnc2cccc(F)c12 71841016 GWSFTWIROROOOY-SNVBAGLBSA-N 304.325 1.164 0 40 DDAB COc1ccc(-c2nc(CN3CC(n4cccn4)C3)no2)cc1 69538028 SSVZYCKKDAEJTE-UHFFFAOYSA-N 311.345 1.999 0 40 DDAB Cc1nn2cccnc2c1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69659180 IXXZJDJMZPIBPX-KGLIPLIRSA-N 313.405 1.737 0 40 DDAB C[C@@H](O)CN1CCN(Cc2nc(-c3cccnc3)no2)C[C@H]1C 71877525 FHRSGEPCHWFKKZ-CHWSQXEVSA-N 317.393 1.019 0 40 DDAB CCC(=O)N[C@](Nc1ncccc1C)(C(=O)OC)C(F)(F)F 19944410 KHFDYPHSBBUZGQ-LBPRGKRZSA-N 319.283 1.760 0 40 DDAB Cc1nccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)n1 71924634 NJJQTAGOFFXMAF-NEPJUHHUSA-N 319.409 1.374 0 40 DDAB CN(CC(=O)N1CCC(c2ccccc2)=N1)[C@H](CO)C(C)(C)C 84169094 BEXZGVJFFMIEET-MRXNPFEDSA-N 317.433 1.962 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc3[nH]ccc23)C1 97051799 ZNJJXOMLSBMEFF-CYBMUJFWSA-N 307.419 1.682 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)c2cnc(C)cn2)c(C)nn1C 72234244 HARQWWCPCAUBTL-ZDUSSCGKSA-N 315.377 1.813 0 40 DDAB O=[S@](CCN1CCn2c(nnc2C2CC2)C1)c1ccccc1 72268397 JYKSOSHQDFACFY-QFIPXVFZSA-N 316.430 1.779 0 40 DDAB CC1CCC(NC(=O)[C@@H](C)NCc2nnc3n2CCCC3)CC1 72299691 DUOWNWQGKLZIAP-ROKHWSDSSA-N 319.453 1.787 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@](C)(O)[C@@H](C)c1ccccc1 95963165 MMSLTBQYRSPRRT-XXFAHNHDSA-N 316.361 1.310 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1C(=O)O 72324557 YYEBHRDDOOVJGP-HNNXBMFYSA-N 324.336 1.371 0 40 DDAB biogenic NS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 84535616 IKVXBFQKQMDMKB-GFCCVEGCSA-N 312.416 1.487 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 72868651 LRQIGJYLPWOGCB-ZFWWWQNUSA-N 318.421 1.024 0 40 DDAB CN(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)c1cccs1 95993957 MKPRRTKEFXYKRT-SNVBAGLBSA-N 302.421 1.592 0 40 DDAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccn(C)c(=O)c2)C1 95954925 SFCLQTADJGTGQN-GDBMZVCRSA-N 319.449 1.902 0 40 DDAB COc1cc(C(=O)OCCc2cn[nH]c2)cc(OC)c1OC 89426493 XQLWKDFFJSIKJU-UHFFFAOYSA-N 306.318 1.835 0 40 DDAB Cc1c(C(=O)N2CCC[C@H]([C@H](C)O)C2)nnn1-c1ccccc1 89556375 FKFVZPALGAFOKO-KBPBESRZSA-N 314.389 1.809 0 40 DDAB C[C@@H](CNC(=O)CCOc1ccccc1Cl)[S@@](C)=O 89900687 DUCCTCZZUJLTRK-OVWNDWIMSA-N 303.811 1.992 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1N(C)C 89948467 YMLKMEJZKYQIDJ-GHMZBOCLSA-N 318.343 1.701 0 40 DDAB CCS(=O)(=O)NCCN1CCC[C@@H]1c1noc(C2CC2)n1 76047556 BFIBSHPQIQIPNG-LLVKDONJSA-N 314.411 1.023 0 40 DDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cncc(F)c1 118986232 HIOWFTALBYJQBI-UHFFFAOYSA-N 317.320 1.848 0 40 DDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCC2CC2)c1 306123759 AWAXCGASCJCMLQ-AWEZNQCLSA-N 319.405 1.468 0 40 DDAB NC(=O)c1cnccc1N1Cc2cnn(-c3ccccc3)c2C1 549286378 WSWKJPMAJZPDLD-UHFFFAOYSA-N 305.341 1.886 0 40 DDAB CN1C(SCc2ccccc2F)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32508752 AGQLAKDIYLTAJJ-NEPJUHHUSA-N 314.407 1.526 0 40 DDAB O=C(COc1ccc2ccccc2c1)NCC1(O)CCOCC1 70638909 SHXBYLRYUONCIO-UHFFFAOYSA-N 315.369 1.876 0 40 DDAB Cc1cc(C)n2nc(S[C@@H](C)c3nccc(N)n3)nc2n1 521394540 QUTVXPYYFGZTCM-VIFPVBQESA-N 301.379 1.967 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(F)nc1 521396238 AGKYCTMPGZVZIR-NTZNESFSSA-N 321.352 1.958 0 40 DDAB CC(=O)Nc1cccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1 75770688 CZKMUVDXRNDPBX-CXAGYDPISA-N 315.417 1.945 0 40 DDAB CCn1ccnc1CN1CCC[C@H]1C(=O)Nc1nccs1 79311631 HHYWWSFXDSLHTR-NSHDSACASA-N 305.407 1.963 0 40 DDAB Cc1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1F 124396656 YFFDDMZXBHIWCE-UHFFFAOYSA-N 307.369 1.627 0 40 DDAB O=C(O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 216243238 OXNHKJWKONAUHL-UHFFFAOYSA-N 301.389 1.648 0 40 DDAB CCCO[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 78671174 RHTUZUQRCOYPPA-ZFWWWQNUSA-N 308.422 1.805 0 40 DDAB Cn1cc([C@]2(C)CN(c3cc(NC4CC4)ncn3)CCO2)cn1 562719394 LVFOCROEIBPVLT-INIZCTEOSA-N 314.393 1.536 0 40 DDAB Cn1cc(CN2CCc3onc(COCC4CC4)c3C2)cn1 96260015 SACJJSDHNFJOHD-UHFFFAOYSA-N 302.378 1.893 0 40 DDAB CCOc1cccc(CNC(=O)CN2CCO[C@H]3CCC[C@H]32)c1 230082274 YYQKIJSFBNBYCY-SJORKVTESA-N 318.417 1.955 0 40 DDAB CNC(=O)C[C@@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 96215994 YJIGTSJQOKUNEU-YESZJQIVSA-N 318.417 1.429 0 40 DDAB CC(C)OCc1ncn2c1CN(Cc1cnn(C)c1)CCC2 96059045 WUMOHQPPHHLPBD-UHFFFAOYSA-N 303.410 1.948 0 40 DDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)N1CCCC1 96041676 SCNPUGOEHIISAH-ZMSDIMECSA-N 308.422 1.267 0 40 DDAB Cn1cnc(CNC(=O)N2CCC(OC3CCCCC3)CC2)n1 91791366 BGEVFFJWXFRAGN-UHFFFAOYSA-N 321.425 1.838 0 40 DDAB CC(C)CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 96080816 ZDDPJTGEMYNXOI-HUUCEWRRSA-N 308.447 1.895 0 40 DDAB c1cnc(O[C@@H]2CO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96222546 CYZBKWQGAJEBHU-BBRMVZONSA-N 313.361 1.474 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccnnc4)C[C@H]3C2)cc1 96161734 LHSCJZOIYKDZNR-HDICACEKSA-N 322.412 1.989 0 40 DDAB Cc1cccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)n1 96412703 DPIVZSPAGOESNI-CQSZACIVSA-N 303.406 1.621 0 40 DDAB CS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1 247500999 FMMMOSQCZTZYGA-CQSZACIVSA-N 307.375 1.106 0 40 DDAB NC[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515290 IFEBLMVDUZKFJD-ZACQAIPSSA-N 317.410 1.564 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)c1 257206474 BDPLOSDRVLXZQS-CQSZACIVSA-N 301.394 1.640 0 40 DDAB O=C(CC1(O)CCCCC1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257294734 QVLWZXMCNXUSLB-HZPDHXFCSA-N 319.401 1.722 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnn(C)c2)C[C@H]1c1ccccc1 257322452 WGBIOMHSJIMRPM-INIZCTEOSA-N 312.373 1.466 0 40 DDAB O=C1C[C@@H](Sc2nnc[nH]2)C(=O)N1c1ccc(Cl)cc1 256055649 ONYXOLPFWODZLV-SECBINFHSA-N 308.750 1.882 0 40 DDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(c2ccncn2)C1 257334757 YHGKSMSUUBVEFG-NSHDSACASA-N 321.406 1.062 0 40 DDAB Cc1cnc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)cn1 257342951 ZQSVVVXEECDTOA-JJAZEVLHSA-N 318.421 1.187 0 40 DDAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)nc(C)n1 257224519 FCDRZSJDHGFJHB-LBPRGKRZSA-N 322.394 1.076 0 40 DDAB Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)n1 257293928 QRTFVJQAWKXBCV-HNNXBMFYSA-N 312.373 1.769 0 40 DDAB CCc1cc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)n[nH]1 262902827 DAWQXYJSOHPWIW-AWEZNQCLSA-N 315.329 1.463 0 40 DDAB COc1cc(C(=O)O)c(F)cc1NS(=O)(=O)C[C@H](C)OC 282110550 AFKVIYOZRWJBIX-ZETCQYMHSA-N 321.326 1.309 0 40 DDAB CCN(C)C[C@H]1CC2(CCN(C(=O)c3cnc(C)[nH]3)CC2)CO1 585104571 QJKMIFMKTWOMGS-CQSZACIVSA-N 320.437 1.681 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 29191932 RCAOJEKIGJAWKR-SNVBAGLBSA-N 318.345 1.119 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)N1CC[C@H](Nc2ccccc2)C1 65548541 UULQRTDYOKQTDT-GJZGRUSLSA-N 316.405 1.551 0 40 DDAB c1ccc(-n2cncn2)c(CNC[C@@H]2CCc3nncn3C2)c1 75605570 QUWNVMSBMSJHLM-ZDUSSCGKSA-N 309.377 1.211 0 40 DDAB CCN1C[C@@H](COC(=O)c2c(C)nn(CC)c2Cl)CC1=O 76090474 CPGLKZVUHQAGKC-JTQLQIEISA-N 313.785 1.890 0 40 DDAB CC(=O)NC[C@H]1CN(c2ccc(Br)cn2)CCO1 95399780 ZECZIAOPRBAHKF-NSHDSACASA-N 314.183 1.185 0 40 DDAB O=C([C@H]1CCCN(c2ncc(Cl)cn2)C1)N1CCOCC1 301492940 PVKQMNRGJGGMRN-NSHDSACASA-N 310.785 1.205 0 40 DDAB CCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1N 5581020 JMMFZGFZKPGJEU-UHFFFAOYSA-N 307.379 1.294 0 40 DDAB O=C(NCCc1ccccc1)C(=O)N1CCc2ccccc2C1 5946880 QTPJFGJGRNVNGT-UHFFFAOYSA-N 308.381 1.930 0 40 DDAB CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC)[C@@H]3C1=O 13151306 CEICVUCFKFAYJL-ATNYBXOESA-N 313.353 1.708 0 40 DDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1 17356202 XEBVFPKBTPXUDN-UHFFFAOYSA-N 316.810 1.826 0 40 DDAB O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCC[C@@H]1CO 153967737 CBQALKHKUGZKIW-SNVBAGLBSA-N 307.300 1.747 0 40 DDAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 225493872 WMLNFHHLINDWQE-LLVKDONJSA-N 318.333 1.465 0 40 DDAB CCOCC(=O)NC[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 8925571 MAEAMYYTQPCLEW-CYBMUJFWSA-N 320.389 1.591 0 40 DDAB O=C(Cc1cc(-c2cccs2)on1)NCCN1CCOCC1 12868850 GOFCMCIMQXZMGF-UHFFFAOYSA-N 321.402 1.394 0 40 DDAB O=C(NCc1cccnc1)N1CCN(c2nccs2)CC1 22380857 ZEFSLRRDIFWVKT-UHFFFAOYSA-N 303.391 1.570 0 40 DDAB COc1ccc(CC(=O)NC[C@@H](O)CCSC)cc1OC 1888911964 PXPPTFWACSXYHC-LBPRGKRZSA-N 313.419 1.477 0 40 DDAB O=S(=O)(Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2 28050641 VKLJUBCBNNRFMX-UHFFFAOYSA-N 315.366 1.494 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565548026 WMDPKJGFMRQVFQ-AAEUAGOBSA-N 312.360 1.749 0 40 DDAB Cc1cc([C@]2(C(F)(F)F)NC[C@H](C)NC2=O)cc(C)c1O 20529174 RTYWNOAMQHSNGT-ZANVPECISA-N 302.296 1.875 0 40 DDAB C/C=C\C(C)=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 14593391 ATUBIBZJAGAIBW-WGEALTPQSA-N 307.390 1.908 0 40 DDAB biogenic,in-vitro CC[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CCO1 30851231 OICFPEOXWOOJRV-CYBMUJFWSA-N 316.357 1.741 0 40 DDAB Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c2ccccc12 98808 KAMIVDXYBBUVQD-LBPRGKRZSA-N 301.346 1.000 0 40 DDAB Cc1ccc(CNC(=O)NCCCN2CCOCC2)cc1F 30985203 HNMQXJXRPMQECL-UHFFFAOYSA-N 309.385 1.656 0 40 DDAB CC/C(NC1CC1)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 20267489 FXDAKYBSAFPBBE-YPKPFQOOSA-N 313.357 1.681 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CCOc1cccc(Cl)c1 40516149 WQILFGDWEKCJQG-UHFFFAOYSA-N 310.781 1.846 0 40 DDAB O=C(NCc1ccccn1)C1=NN(Cc2ccccc2)C(=O)CC1 40540069 LCPOVBHRKZGJRA-UHFFFAOYSA-N 322.368 1.876 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)o2)o1 32681433 AWGRYYLHPXTBDY-UHFFFAOYSA-N 312.347 1.361 0 40 DDAB C[C@@H]1CN(C(=O)CCCn2c(=O)oc3ccccc32)CCO1 22131270 FKFWCDDIOJXHNA-GFCCVEGCSA-N 304.346 1.622 0 40 DDAB Cc1ccccc1OCCN1C(=O)N[C@@]2(CCSC2)C1=O 22523359 SEOQSTCEBXBCPG-OAHLLOKOSA-N 306.387 1.801 0 40 DDAB CC/C(=C\C(=O)NCCN1CCN(C)CC1)c1ccccc1 103915656 CODSUWGUEZDBNX-FOCLMDBBSA-N 301.434 1.844 0 40 DDAB CCn1c(CNC(=O)CN2CCSC2=O)nc2ccccc21 23053575 UBPYANLQLNXPQW-UHFFFAOYSA-N 318.402 1.841 0 40 DDAB CS(=O)(=O)C1(C(=O)NC[C@H]2CCCC[C@H]2O)CCCC1 77154911 PZYSXFUPIRVGKC-VXGBXAGGSA-N 303.424 1.011 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)NC1(c2ccccc2F)CC1 77536220 LGMGMZGRQLSFDF-JTQLQIEISA-N 312.366 1.301 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCN(c2cnccn2)CC1 25343544 HFVVFVKPJAPDFG-UHFFFAOYSA-N 316.336 1.587 0 40 DDAB Cc1nc(CS(=O)(=O)c2ccc3c(c2)OCCCO3)no1 47644401 RSTZRUCNRQGIKT-UHFFFAOYSA-N 310.331 1.513 0 40 DDAB O=c1cc(CN2CCC3(CC2)OCCO3)c2cc(O)ccc2o1 54306986 DUGBWHZUNGJNED-UHFFFAOYSA-N 317.341 1.838 0 40 DDAB biogenic CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 79022236 NWEOXIUIVCMRPC-JHJVBQTASA-N 322.409 1.467 0 40 DDAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)NC1=S 1462773 QYRCDBFXFVDNSJ-JTQLQIEISA-N 311.794 1.774 0 40 DDAB Cc1noc(C)c1COc1ccc(C(=O)OCC(N)=O)cc1 3412232 HZCVDGDMUFWTJJ-UHFFFAOYSA-N 304.302 1.513 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 7687902 OPEXFPBFBPRNRD-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB O=C1CS(=O)CC(=O)N1Cc1ccc(Cl)c(Cl)c1 1391669 BHAWJOHZTFCGTE-UHFFFAOYSA-N 306.170 1.611 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 106639558 SLRZSQFOFLFHOR-IHRRRGAJSA-N 311.385 1.949 0 40 DDAB Cc1cc(C)cc(OCCNC(=O)CNC(=O)c2ccoc2)c1 55526893 DTCHRBFKIJTKOD-UHFFFAOYSA-N 316.357 1.821 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)N[C@@H]1CCN(c2ccccc2)C1 106845777 LMBZOZUEURVWOM-HIFRSBDPSA-N 316.405 1.233 0 40 DDAB COc1ccc(CCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1 8402342 NEUOBCCBENIEME-OAHLLOKOSA-N 321.373 1.466 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccccc2)CC1 55976685 YOMOLMJARSVHLN-CYBMUJFWSA-N 323.414 1.491 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)NCc1nnc2ccccn12 43710965 UIUFCSDCQNBBEU-CYBMUJFWSA-N 316.409 1.403 0 40 DDAB CCc1ncc(NC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cn1 95972430 GYLUOQBWZWESKY-ZJUUUORDSA-N 314.411 1.324 0 40 DDAB Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CCC3)c(=O)[nH]1 57817364 UKGXJQGSFXUMNG-UHFFFAOYSA-N 318.402 1.903 0 40 DDAB O=C(NCCSCc1ccccc1F)c1ccc(=O)[nH]n1 9515147 MFHCPJRLLRSEOU-UHFFFAOYSA-N 307.350 1.572 0 40 DDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccsc1 9549243 RCRBEIKDFOYVKR-NSHDSACASA-N 312.416 1.731 0 40 DDAB c1ccc(-n2nnnc2CSc2nc3ncccn3n2)cc1 10076585 KGSBCYKGKLQEMY-UHFFFAOYSA-N 310.346 1.392 0 40 DDAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(N)=O)cnc32)cc1 57486519 FSGMWJJASJZTMA-UHFFFAOYSA-N 311.345 1.191 0 40 DDAB CC(C)COCCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 58210005 ZVJTZWSZEVHWSQ-UHFFFAOYSA-N 305.378 1.878 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccccn2)[C@@H](C(=O)O)C1 74941216 TYXQKQMFQGUHLW-LLVKDONJSA-N 307.350 1.592 0 40 DDAB O=C1[C@H]2[C@H]3C=C(Cl)[C@@H](C3)[C@H]2C(=O)N1CCN1CCCCC1 105594783 PRBXIZQWLUYXLM-MHDGFBEUSA-N 308.809 1.846 0 40 DDAB C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CCO1 44967201 LTUCCPKMQOEDQQ-ZFWWWQNUSA-N 314.389 1.940 0 40 DDAB Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)s1 3354457 YABYKEJYJKZXSX-UHFFFAOYSA-N 314.417 1.738 0 40 DDAB Cn1cc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cn1 58342153 OATWXQDKLKGFMT-UHFFFAOYSA-N 324.266 1.412 0 40 DDAB CCCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 48356681 KXJYZXCWWMYTIM-ZIAGYGMSSA-N 306.410 1.767 0 40 DDAB C[C@H]1CN([C@@H](C)CNC(=O)/C=C/c2cccnc2)C[C@@H](C)O1 58307914 HJVNEHFZAGMTQD-MNZAGANASA-N 303.406 1.709 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)NO[C@H]1CCCCO1 58429629 OYAZFYQQSODQDS-HNNXBMFYSA-N 320.345 1.949 0 40 DDAB CC[C@H](OC)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 58417644 KZLGNHMKEJSNDG-LBPRGKRZSA-N 309.366 1.585 0 40 DDAB Cc1nc(CCNC(=O)NCc2ccc(C(N)=O)cc2)cs1 48484411 CTWIFHPFNBRHIG-UHFFFAOYSA-N 318.402 1.592 0 40 DDAB O=C(CN(Cc1ccccc1)C1CC1)N[C@H]1CCCCNC1=O 46054209 DVNJSOFZPCZWGA-INIZCTEOSA-N 315.417 1.436 0 40 DDAB CN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 60344534 SLHNJXSJADYLKN-LBPRGKRZSA-N 310.394 1.045 0 40 DDAB COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1nncn1C 46964483 QKZJVOLRKCWMHS-NSHDSACASA-N 323.422 1.796 0 40 DDAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCCC1 12322262 LVGRXEZZXHLHPP-UHFFFAOYSA-N 322.166 1.661 0 40 DDAB Nc1nnc(SCC(=O)Nc2nonc2-n2cccc2)s1 12360574 UMFHJQXTZBFKGF-UHFFFAOYSA-N 323.363 1.025 0 40 DDAB Cc1nnc(SCC2=NN=C(O)c3ccccc3O2)n1C 9145154 SWHYQLYSBBZWMO-UHFFFAOYSA-N 303.347 1.926 0 40 DDAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)NC1CCCC1 6055317 ZGCLGWMWSLPDJH-ABAIWWIYSA-N 319.357 1.817 0 40 DDAB O=C1CS[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 5010704 ADXAWKOSCUKSRY-QWRGUYRKSA-N 301.364 1.071 0 40 DDAB CC(C)c1nncn1CCNC(=O)c1c(O)cc(F)cc1F 73146592 XXDKAHGBGXNNNT-UHFFFAOYSA-N 310.304 1.815 0 40 DDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccnc1)C2=O 5262138 MSJYKPPNGKNWDW-BZNIZROVSA-N 316.361 1.521 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 14093258 RPZVWZDJWNVKLF-UHFFFAOYSA-N 319.386 1.035 0 40 DDAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)NC(N)=O 14076266 YMOHROMMASVWHN-MRVPVSSYSA-N 311.411 1.603 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 14198508 OHXQYXGYVQGWGR-UHFFFAOYSA-N 310.357 1.143 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 14221012 PNXMFHCCCIRRCE-HZMBPMFUSA-N 312.391 1.491 0 40 DDAB COCCCNS(=O)(=O)c1ccc(Br)s1 4677381 QDALRUIXBTYEBT-UHFFFAOYSA-N 314.226 1.825 0 40 DDAB O=S(=O)(NCCc1csc2ncnn12)c1cccs1 6669647 SBOHFNMIAZPBOQ-UHFFFAOYSA-N 314.417 1.373 0 40 DDAB O=C1CCCN1CC(=O)N1CCO[C@@H](c2ccccc2F)C1 66691126 TYXFJLZQROZFJP-CQSZACIVSA-N 306.337 1.348 0 40 DDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 9453767 RPFWYLJVNZVINS-AAEUAGOBSA-N 303.362 1.064 0 40 DDAB Cc1ccc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1 95464759 KSZVXRFHDMKEKV-INIZCTEOSA-N 313.353 1.829 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2nc[nH]n2)cc1 19850454 KTTREDLAQGJJNR-UHFFFAOYSA-N 322.390 1.515 0 40 DDAB C[C@@]1(NC(=O)Cc2ccc3c(c2)CCCC3)CCS(=O)(=O)C1 7777738 LLKCOTGWMSHIKJ-QGZVFWFLSA-N 321.442 1.801 0 40 DDAB COc1ccc(CCNC(=O)[C@H](C)Sc2nncn2C)cc1 7857891 PKEWBBQSUYCFQO-NSHDSACASA-N 320.418 1.663 0 40 DDAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(C[C@@H](C)O)CC1 71877414 VLVHOROQBPKAHV-CVEARBPZSA-N 319.449 1.032 0 40 DDAB CC(C)(C(=O)N1CCCS(=O)(=O)CC1)c1ccc(F)cc1 71896574 MHNXJIUJCIABPS-UHFFFAOYSA-N 313.394 1.750 0 40 DDAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCCN(CC(N)=O)CC2)C1(C)C 71829345 PPOHPKRLXJBFEE-ZFWWWQNUSA-N 307.438 1.244 0 40 DDAB C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](O)c1ccc(F)cc1 95430048 HIWZPCIMXMOODF-YGRLFVJLSA-N 310.369 1.526 0 40 DDAB O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCC1CCC1 69435928 WSHNMSANTXHDRF-UHFFFAOYSA-N 313.357 1.988 0 40 DDAB COc1cccc(OCc2nn3c(=O)c(C)nnc3s2)c1 8400840 CIYFOYYMYBHXDF-UHFFFAOYSA-N 304.331 1.442 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)c3ccoc3)CC2)n1 69518325 OALDPAHYKOWSIC-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB Cc1cc(NC(=O)CN2CCCC[C@@H]2Cn2cncn2)no1 69653088 UDZQZJVCFXKCPF-GFCCVEGCSA-N 304.354 1.068 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)c2ccsc2)CC1 69626770 UKEXRURTWJIDTO-UHFFFAOYSA-N 304.419 1.830 0 40 DDAB O=C(CSc1ncn[nH]1)Nc1ncc(Br)s1 8561625 JPFQYRJBIQQZRR-UHFFFAOYSA-N 320.197 1.755 0 40 DDAB CCOc1cc(C)nc(N2CCN(Cc3nccn3C)CC2)n1 69704326 JIXYIDLOGPOMSY-UHFFFAOYSA-N 316.409 1.239 0 40 DDAB COCc1nc(C(=O)N2CCn3c(nnc3C(C)C)C2)cs1 69770203 PASFEAXZFDZNSU-UHFFFAOYSA-N 321.406 1.660 0 40 DDAB O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc2c(c1)OCO2 18265475 RNDLXNICSYKZMK-GFCCVEGCSA-N 302.330 1.533 0 40 DDAB CCN1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 19372580 LLYNFLPQYFSAKG-MRXNPFEDSA-N 312.841 1.855 0 40 DDAB C[C@@H](CN(Cc1ccccc1)C(=O)c1cnn(C)c1)C(=O)O 97017816 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CCn1cc(C(=O)N2CCO[C@](C)(C(N)=O)C2)c2ccccc21 72379882 LMQKTOGMRRWSPQ-KRWDZBQOSA-N 315.373 1.378 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2cccnc2)C[C@@H]1C(=O)O 72343576 FLFIIHVTTWZCIV-GFCCVEGCSA-N 307.350 1.592 0 40 DDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1nccn1C(F)F 72766893 LRADLZZITXNBGU-WDEREUQCSA-N 316.352 1.394 0 40 DDAB O=S(=O)(O)c1cncc(Br)c1N1CCCC1 72210941 XUAPLIOGNXSVHL-UHFFFAOYSA-N 307.169 1.691 0 40 DDAB CCn1c(CN2CCN(C)CC2)nc2cc(C(=O)O)ccc21 563277921 PVNCDJYSEMTORZ-UHFFFAOYSA-N 302.378 1.502 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1nncs1 72404401 GTIVJKVYEJALDK-UHFFFAOYSA-N 313.342 1.401 0 40 DDAB CCOC(=O)Cn1nc(-c2ccccn2)nc1-c1ccccn1 40174367 YBPIGCSGGMFIEE-UHFFFAOYSA-N 309.329 1.965 0 40 DDAB COc1ccc(C2=NN=C(NN)c3ccccc3C2)cc1OC 40545052 VDYHQSWWXJTAKG-UHFFFAOYSA-N 310.357 1.874 0 40 DDAB CCCCN1CCN(S(=O)(=O)c2ccccc2F)CC1 70948699 XKTSEFWWZCJQQK-UHFFFAOYSA-N 300.399 1.932 0 40 DDAB Cc1cc(NC(=O)C(=O)NCCCO)ccc1Br 42646164 QJZOJLQNDILMNG-UHFFFAOYSA-N 315.167 1.195 0 40 DDAB CN(C)c1ncc(NC(=O)Cc2ccc(F)cc2)c(N(C)C)n1 224350216 OIXHIHFGMBKLCL-UHFFFAOYSA-N 317.368 1.929 0 40 DDAB O=S(=O)(C1CC1)N1CCN(CCCc2ccccc2)CC1 528613497 XLBJPIOVFBFULO-UHFFFAOYSA-N 308.447 1.729 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)Cc2cccnc2)C1 225808988 ZCWBAJFTUUZFEP-ZDUSSCGKSA-N 314.345 1.103 0 40 DDAB COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222911344 WWKXSKPDRJMDAH-CYBMUJFWSA-N 324.396 1.961 0 40 DDAB COc1ccccc1CCNC(=O)c1cn(C)c(=O)cc1OC 225648477 YGGKGIRFQJBNFK-UHFFFAOYSA-N 316.357 1.375 0 40 DDAB O=C1C[C@H]2[C@H](CCN2Cc2cccs2)N1c1cncnc1 96245933 DWLWZAIODHQHLR-KBPBESRZSA-N 300.387 1.918 0 40 DDAB O=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)cn1 97101060 AIQOPQMBDGKHJV-UHFFFAOYSA-N 305.769 1.635 0 40 DDAB Cc1ccc(CN2C[C@H]3[C@H](CC(=O)NC4CC4)COC[C@H]3C2)o1 96057279 BQPUTGJDDUIIPK-CPUCHLNUSA-N 318.417 1.951 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223274 JPKBPUGMDZUSGE-DOMZBBRYSA-N 323.372 1.333 0 40 DDAB CCOC[C@H]1CN(Cc2cccnc2OC)Cc2cnn(C)c21 96198246 HHGHPJNDXJUICJ-OAHLLOKOSA-N 316.405 1.960 0 40 DDAB Cc1ccncc1NC(=O)C(=O)NCCN(C)C1CCCC1 96410765 MUXCNWAASQIMKU-UHFFFAOYSA-N 304.394 1.319 0 40 DDAB CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)NCc2cccnc2)O1 96186055 LCWDBEDKFULXNJ-JYJNAYRXSA-N 319.405 1.950 0 40 DDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)CC2=CCCCC2)C3)n1 96208762 IEHIQPHEDUTMJL-RHSMWYFYSA-N 317.389 1.995 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 96186188 ZZLLJHPCILVHHX-GJZGRUSLSA-N 322.430 1.852 0 40 DDAB c1cnc(N2CCOC3(CCN(C[C@@H]4CCOC4)CC3)C2)nc1 96159048 AUEZCIKBPIQAMV-HNNXBMFYSA-N 318.421 1.184 0 40 DDAB Cc1ccc(CN2CCOC[C@@]3(C[C@H](CN(C)C)CO3)C2)o1 96051934 DYLCPCYQUOSQBJ-NVXWUHKLSA-N 308.422 1.757 0 40 DDAB F[C@@H]1CN(C2CCOCC2)C[C@@H]1OCc1nc2ncccc2[nH]1 96112148 MFAOPZRIHQSVBY-OCCSQVGLSA-N 320.368 1.676 0 40 DDAB biogenic,in-vitro O=C(c1ccnnc1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107476 TWFOFQIZKUMNDA-RDJZCZTQSA-N 317.389 1.667 0 40 DDAB C[C@@H](C(=O)NCc1cnc(N(C)C)n1C)N1CCCCCC1 96436526 CDHACTXFWALJBJ-ZDUSSCGKSA-N 307.442 1.367 0 40 DDAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)c1cnccn1 247467276 DBAWANKCMMSDPU-BPUTZDHNSA-N 316.405 1.096 0 40 DDAB Cn1cnc2c1[C@H](C(=O)NC1CC1)CN(Cc1ccoc1)C2 248063096 VCMNQFUZWCRCRJ-CYBMUJFWSA-N 300.362 1.391 0 40 DDAB CCCS(=O)(=O)N1CCN(C)[C@@H](c2ccc(OC)cc2)C1 248143320 QWEJMXBKZYATML-OAHLLOKOSA-N 312.435 1.724 0 40 DDAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 245338724 OALGXHDSXGXWEY-KBRIMQKVSA-N 313.401 1.940 0 40 DDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ccnnc1 257332059 XVNVQENISAJQFE-AWEZNQCLSA-N 313.361 1.049 0 40 DDAB CCOC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252516892 XOXMMNSDYLEMSJ-ZNMIVQPWSA-N 313.419 1.330 0 40 DDAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC(CC(=O)O)CC2)n1 257262652 LMFXSWROPFRIKF-LLVKDONJSA-N 307.394 1.849 0 40 DDAB CC(C)Cn1c(=O)n(C)c(=O)n(-c2ccc(Cl)cc2)c1=O 255187863 HGBZWPLHYARJCQ-UHFFFAOYSA-N 309.753 1.007 0 40 DDAB OCCOc1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cc1 257335871 YMGPAJOUPRPXHE-QGZVFWFLSA-N 321.417 1.564 0 40 DDAB CNc1cccc([C@@H]2CN(Cc3cnc(OC)nc3)CCO2)n1 257285814 PIZQCDRURABWLE-AWEZNQCLSA-N 315.377 1.495 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2c(C)noc2C)CCO1 257242668 IDPFGCRWRBRGIL-LLVKDONJSA-N 317.349 1.337 0 40 DDAB O=C(N[C@H](C(=O)O)C12CC(C(=O)O)(C1)C2)OCc1ccccc1 253179001 AHCADYJAFVUWPX-VHWKEVPUSA-N 319.313 1.621 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2cn(C)nc2C)C1 257300005 RSNMKLCXYLSCOO-CYBMUJFWSA-N 301.394 1.855 0 40 DDAB Cc1cc(C)n2ncc(CN3CC[C@H](O)[C@]4(CCCO4)C3)c2n1 257264478 LUNUABYUSBWVQJ-RDJZCZTQSA-N 316.405 1.462 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2ncccc2C)c1 257283026 OWLJGTUKJYYYHF-GOSISDBHSA-N 324.428 1.896 0 40 DDAB COCC[C@](C)(O)CNC(=O)C1(c2ccccc2OC)CC1 266601370 ZKHGXJLDYBWKLN-INIZCTEOSA-N 307.390 1.631 0 40 DDAB C[C@]1(CN)CCN(C(=O)[C@H]2C[C@]23CCOc2ccccc23)C1 261784788 GFWXOQHOJQXQIA-OLMNPRSZSA-N 300.402 1.924 0 40 DDAB Fc1cnc(OC2CCN(c3ccc4nncn4n3)CC2)nc1 1776009265 WZTUIGDNMCQNSH-UHFFFAOYSA-N 315.312 1.101 0 40 DDAB O=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCC[C@@H]2O)CC1 78789478 FRZKVHQHYSNYFB-GJZGRUSLSA-N 314.389 1.234 0 40 DDAB CS(=O)(=O)C1CCN(C(=O)c2cnc3ccccc3n2)CC1 96366085 XVWLCEIWEUUNHC-UHFFFAOYSA-N 319.386 1.279 0 40 DDAB O=C(Cc1cn2ccsc2n1)NCCN1CCCCCC1=O 42923919 FQZFHHRKWUTGTI-UHFFFAOYSA-N 320.418 1.457 0 40 DDAB CC1CCN(CCN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)CC1 96481161 JEBHLTIAESBLQP-CABCVRRESA-N 302.484 1.616 0 40 DDAB CN(Cc1nnsc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O 96444964 LCXPOHMSXLVHBB-UWVGGRQHSA-N 323.871 1.979 0 40 DDAB Cc1cnc(-c2nnc(CNC(=O)Cc3ccccc3)o2)cn1 19239260 GCBHSZLAFUKCNB-UHFFFAOYSA-N 309.329 1.694 0 40 DDAB CCn1cc(NC(=O)C(=O)N(Cc2cccnc2)C2CC2)cn1 162651974 FKUTYBIJFQPAAB-UHFFFAOYSA-N 313.361 1.428 0 40 DDAB C[C@H](CN(C)C(=O)[C@H]1Oc2ccccc2[C@H]1C)c1nnn[nH]1 156527856 ITSDYFDKZXTEFM-BREBYQMCSA-N 301.350 1.326 0 40 DDAB Cc1cnc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)cn1 206834720 AYMOHUXFMKWCSO-GFCCVEGCSA-N 317.418 1.888 0 40 DDAB COc1ccc2[nH]c(CN3CCO[C@@](C)(C(N)=O)C3)cc2c1 1848352383 DAVMYRWFUBKZII-MRXNPFEDSA-N 303.362 1.253 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)CN2CCCCCC2)c1 5843644 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CC(C)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055796068 RUXAUSHRCYUHJI-KRWDZBQOSA-N 318.421 1.195 0 40 DDAB O=C(c1csnn1)N1C[C@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C1 2055751321 KKKRFBGKINVFCK-AGIUHOORSA-N 322.434 1.111 0 40 DDAB O=C(Nc1nccs1)N1CCN(c2cccnc2)C(=O)C1 1775971727 ZSMPDASSMSMJDR-UHFFFAOYSA-N 303.347 1.419 0 40 DDAB O=C(NCc1cc(F)cc(F)c1)c1cnc2n(c1=O)CCS2 30499676 CLLZSHUOVMNPPG-UHFFFAOYSA-N 323.324 1.557 0 40 DDAB Cc1ccccc1OCC(=O)O[C@H](C)CN1CCN(C)CC1 20266613 SKXUNMJQQZYQJJ-OAHLLOKOSA-N 306.406 1.553 0 40 DDAB Cc1nc(C(=O)NCC(C)(C)N(C)C)nn1-c1ccc(F)cc1 40473779 OJTMJLDOTJCVLN-UHFFFAOYSA-N 319.384 1.785 0 40 DDAB C[C@H]1C[C@@H](C)CN(CC(=O)NCCCN2CCCCCC2=O)C1 51158387 YAUUHZPZSUQLIX-IYBDPMFKSA-N 323.481 1.873 0 40 DDAB CN(C)C(=O)CN(Cc1ccc(C(N)=O)cc1)CC(F)(F)F 40527844 NZAJFIUOYIRFAL-UHFFFAOYSA-N 317.311 1.238 0 40 DDAB CC(C)Oc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 40523656 IVOJCLWHXFRIBA-GFCCVEGCSA-N 312.391 1.128 0 40 DDAB COc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1cnn(C)c1 40539665 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COc1cc2c(cc1CNCC(=O)N1CCCC1)O[C@H](C)C2 42207088 RGVFGSDZDCDINX-GFCCVEGCSA-N 304.390 1.731 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1cncc(Br)c1 42255264 YFOYFFCMSILTMK-VIFPVBQESA-N 309.167 1.859 0 40 DDAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 2929269 AFQOHCPIHVZWGB-LLVKDONJSA-N 306.343 1.473 0 40 DDAB CCOc1ncccc1NC(=O)NCCC(=O)N[C@H](C)CC 47542820 WMXVYAHKXSARJL-LLVKDONJSA-N 308.382 1.907 0 40 DDAB Cn1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cn1 25310590 PRAYTYQRQUBEPD-UHFFFAOYSA-N 303.713 1.302 0 40 DDAB Cc1noc(C)c1CN1CCN(C(=O)c2cnns2)CC1 47831034 AQYCTQXNIGVISQ-UHFFFAOYSA-N 307.379 1.101 0 40 DDAB Cc1cccc(NC(=O)N2CCC(Cn3ccnn3)CC2)n1 97378558 LAYRCLYNJCDYAG-UHFFFAOYSA-N 300.366 1.926 0 40 DDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCCO 78705947 YXJLIBXPGHZQIG-UHFFFAOYSA-N 312.369 1.582 0 40 DDAB Cc1nc(CN2CCN(C(=O)CCn3cccn3)CC2)cs1 42749484 KRHMJNRVZMLOIL-UHFFFAOYSA-N 319.434 1.383 0 40 DDAB CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl 6543292 PZTLBNFIIJKZJO-LLVKDONJSA-N 300.811 1.938 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(N)=O 7782835 IUZUBIMDLYFTIR-UHFFFAOYSA-N 312.391 1.359 0 40 DDAB CN(CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 106905441 PFNLCJYZYJYSNF-HOTGVXAUSA-N 324.469 1.023 0 40 DDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc2c(c1)OCO2 8395700 WAJIRMVAZWLRPY-UHFFFAOYSA-N 315.325 1.917 0 40 DDAB COC(=O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 8486425 XZQPYCYGHNQRTE-XOJFTNBJSA-N 307.390 1.338 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2[nH]nc(C)c2c1 56119005 ZKVPTUJHQASGFK-GFCCVEGCSA-N 304.350 1.584 0 40 DDAB O=C(O)CN1CCN(Cc2sccc2Br)CC1 43676708 JKHMZNZYEUBYPK-UHFFFAOYSA-N 319.224 1.713 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1cccs1 25717404 UOIJYWVCSTWGOP-UHFFFAOYSA-N 303.343 1.859 0 40 DDAB CC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1 43880119 ACHXNYBXNKBQPN-UHFFFAOYSA-N 308.382 1.444 0 40 DDAB C[C@H](c1ccncc1)N1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107505598 NKMPXKHNXDWAPU-MRRJBJDNSA-N 316.405 1.795 0 40 DDAB C[C@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)CCO1 57258684 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O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CC1 15586803 NWPNQNSWIFZAOB-UHFFFAOYSA-N 302.783 1.287 0 40 DDAB C[C@H](Cc1c(F)cccc1F)NC(=O)N[C@@H]1CCN(C)C1=O 96415310 HNJOMKUOFANBJB-NOZJJQNGSA-N 311.332 1.426 0 40 DDAB CCOC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1 8250191 PHSQDJUIYDUKGB-UHFFFAOYSA-N 310.379 1.855 0 40 DDAB C[C@@H](O)CN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 70037097 SBPQGXURJOIZMY-OAHLLOKOSA-N 300.406 1.371 0 40 DDAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)CCNS(C)(=O)=O 69374425 WMRXLDMPYRTCGZ-CYBMUJFWSA-N 324.446 1.926 0 40 DDAB CCN1CCCN(C(=O)CSc2nc(C)cc(C)n2)CC1 71893412 OJOUTQMHBWHFNI-UHFFFAOYSA-N 308.451 1.740 0 40 DDAB CCN(Cc1c(F)cccc1F)C(=O)CCN1C(=O)CCC1=O 69561305 PKGZQQHPKGTHKU-UHFFFAOYSA-N 324.327 1.852 0 40 DDAB Cc1ccc2nc(-c3ccnc(S(C)(=O)=O)c3)[nH]c(=O)c2c1 69579226 PIBOEKNSGTYECO-UHFFFAOYSA-N 315.354 1.697 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)C1CCCC1 69660349 PVMDEYYTSIZLGX-HOTGVXAUSA-N 318.421 1.742 0 40 DDAB Cc1cccc2[nH]cc(CC(=O)N3CCN(C[C@H](C)O)CC3)c12 69742844 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COc1ccc([C@H](NC(=O)N[C@@H](C)CO)C(F)(F)F)cc1 97100206 DCXDIANXBBQIJC-KWQFWETISA-N 306.284 1.979 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2F)c(=O)[nH]1 97136794 KUJVDQFONXSEHP-LBPRGKRZSA-N 322.311 1.295 0 40 DDAB CC(C)Nc1ccc(C(=O)NCc2n[nH]c(=S)n2C)cn1 72311907 LSNBWEVYGZGTMF-UHFFFAOYSA-N 306.395 1.623 0 40 DDAB COC1(CNC(=O)NCCc2cn3c(n2)CCCC3)CCC1 97235906 BSLREUPIUNWYMA-UHFFFAOYSA-N 306.410 1.630 0 40 DDAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(N)=O)cc1 408779427 DVGXBONOGSIPCR-UHFFFAOYSA-N 304.371 1.752 0 40 DDAB CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2c(N)noc2C)CC1 408504870 ZKYGZTSDASPEIS-JTQLQIEISA-N 313.379 1.507 0 40 DDAB Nc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 72206375 JCHRYWJDTFSXBR-AWEZNQCLSA-N 320.370 1.243 0 40 DDAB NC(=O)CN1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 72367834 YMCQTFQOGJYVAK-SNVBAGLBSA-N 318.406 1.341 0 40 DDAB NC(=O)c1sc(-c2ccc(CN3CCOCC3)cc2)cc1N 77271340 UNTPTSFVGRSTDC-UHFFFAOYSA-N 317.414 1.928 0 40 DDAB in-vitro CSc1nc(C(=O)NCc2nnc(C)n2C)c2ccccn12 79049353 VBFULLOMVLWLDT-UHFFFAOYSA-N 316.390 1.423 0 40 DDAB O=C1NCCCC[C@H]1SCc1cc(=O)n2ccsc2n1 78555535 IHFRQIULZHOIFN-SNVBAGLBSA-N 309.416 1.658 0 40 DDAB CCn1nc(C)c(NC(=O)c2ccccc2OC)c1C(N)=O 72265484 ODIIQWKPCSEJGO-UHFFFAOYSA-N 302.334 1.571 0 40 DDAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)C(=O)NC1CCCC1 73051557 ZMQDPLKSLCKGLE-MFKMUULPSA-N 320.437 1.769 0 40 DDAB Cc1cc(S(=O)(=O)NC(C)(C)CC(N)=O)sc1Cl 188179596 OHOTVOCNWCQJRP-UHFFFAOYSA-N 310.828 1.642 0 40 DDAB CCOCCCNC(=O)c1ccc(CN2CCCC2=O)cc1 44899749 ZQQOSSBSNLMQOD-UHFFFAOYSA-N 304.390 1.965 0 40 DDAB CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CCCNC2=O)c1C1CC1 89800569 VXYJRZYDEZTIGX-ZWNOBZJWSA-N 304.394 1.740 0 40 DDAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](C(F)(F)F)C[C@H]2O 85399284 YXGBVZKPZJQNID-QUBYGPBYSA-N 305.252 1.710 0 40 DDAB C[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)NC1=O 41096431 DMNCLWBMFKYFKX-LBPRGKRZSA-N 323.418 1.349 0 40 DDAB COC(=O)c1cc(F)ccc1CN1C(=O)N[C@H](C(C)C)C1=O 69809960 MQWVKERPRQZVJP-GFCCVEGCSA-N 308.309 1.689 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NCc3nc(C)no3)CC2=O)cc1 44454121 GFUATVWTEKIGIN-LBPRGKRZSA-N 314.345 1.356 0 40 DDAB CN1CCN(c2ncc(NC(=O)Nc3ccccc3)cn2)CC1 224265640 HPFRQYWQZZVBML-UHFFFAOYSA-N 312.377 1.872 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N(C)C2CC2)CCCC1 195534514 FLBOULAYIKDVDG-UHFFFAOYSA-N 318.421 1.700 0 40 DDAB COc1cccc([C@H](CC(=O)O)NC(=O)c2ccnc(O)c2)c1 574866794 MIMPQBKXSIXEPS-ZDUSSCGKSA-N 316.313 1.742 0 40 DDAB NC(=O)c1ccc(N2CCN(C(=O)C(F)(F)Cl)CC2)cc1 195570589 OHSOSYCXWSOAOW-UHFFFAOYSA-N 317.723 1.266 0 40 DDAB Cc1cc(O)c(I)c(=O)n1CCN(C)C 225733361 WIAURHBDSJBOAE-UHFFFAOYSA-N 322.146 1.029 0 40 DDAB COCCCNC(=O)Cn1ccc2c(NC(C)=O)cccc21 96232386 GHDDRUHSXCCNCS-UHFFFAOYSA-N 303.362 1.752 0 40 DDAB CN(C)[C@@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1 96261359 OSALPMZPIDGXKF-CVEARBPZSA-N 308.447 1.726 0 40 DDAB O=C(c1ccnnc1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201824 GDPAWNOKBINNQT-MAUKXSAKSA-N 322.368 1.223 0 40 DDAB Nc1nccnc1C(=O)N[C@H]1CCCOc2cc(F)ccc21 96495287 JHBOYWKVFVZTBK-NSHDSACASA-N 302.309 1.842 0 40 DDAB COC[C@H]1CN(C(=O)c2cccnc2OC)Cc2cncn2C1 96217133 MAGFRRQMZVTFRP-LBPRGKRZSA-N 316.361 1.205 0 40 DDAB Cc1ccc(N2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)nn1 96217119 DBMKJNLXZPEFFW-QGZVFWFLSA-N 317.437 1.166 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3nccs3)[C@@H]2C1 96056689 MDKCKRKBQCQTJR-YNEHKIRRSA-N 309.435 1.647 0 40 DDAB Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=O)c(=O)n2c1 96517705 MJYJQVRYIMLXII-TXEJJXNPSA-N 301.346 1.429 0 40 DDAB COCCc1nsc(N2CCC[C@H](Cc3noc(C)n3)C2)n1 97233383 YBFOAXDJRWFTBG-LLVKDONJSA-N 323.422 1.878 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCO[C@H]2C)s1 90582504 CXZOONVMFSPKLY-WDEREUQCSA-N 304.437 1.102 0 40 DDAB CCO[C@@H]1C[C@H](N(C)CCNS(C)(=O)=O)C12CCCC2 96419695 COLJQGOGPIYXRP-QWHCGFSZSA-N 304.456 1.205 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 96038909 APSBTXNUISJUKV-BZUAXINKSA-N 304.390 1.785 0 40 DDAB c1cnc(N2CCOC[C@]3(CCCN(CC4CC4)C3)C2)cn1 96049651 PDKQHAJVIDOJNE-KRWDZBQOSA-N 302.422 1.805 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(Cc1cccnc1)CC2 248025667 WAAKPYKOPHAHHG-CYBMUJFWSA-N 313.405 1.993 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cncs3)CC[C@H]21 257268035 MJZBIZQOLXVVFS-DZGCQCFKSA-N 323.462 1.993 0 40 DDAB CN1CCC(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)CC1 257313831 UUGPMUJKCVOPOC-LSDHHAIUSA-N 307.438 1.188 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1O 257262975 LNVNESZHMVCZQP-UXIGCNINSA-N 303.362 1.301 0 40 DDAB COc1ncc(CN2CCO[C@@H](c3nc(C)cc(C)n3)C2)cn1 257224609 FCNSXXIXNKKHSO-CQSZACIVSA-N 315.377 1.466 0 40 DDAB Cc1cnn(C)c1CN1CC[C@@H](c2[nH]ncc2C(=O)N(C)C)C1 257331457 XSXRPUSJZLSLCD-GFCCVEGCSA-N 316.409 1.143 0 40 DDAB CNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257233071 GNQFFIZMSMSOLW-RISCZKNCSA-N 310.781 1.622 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc2cc(Cl)ccc2[nH]1 257224102 FAHYQUXWUVZNAY-MRVWCRGKSA-N 308.765 1.825 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)N1CCc2ncncc2C1 96122858 KVFYEWNBYGQLTD-UHFFFAOYSA-N 323.349 1.371 0 40 DDAB CC(C)C(=O)N1CC2(CC[C@@H](CN3CCCCC3=O)CO2)C1 575406242 MTCCNXIMKSESEI-AWEZNQCLSA-N 308.422 1.663 0 40 DDAB COC[C@@H]1c2c(cnn2C)CCN1C(=O)c1ccnc(F)c1 585111000 PCLDYJQQSBIUAG-GFCCVEGCSA-N 304.325 1.340 0 40 DDAB CNC(=O)Cn1cc(NCc2ccc(C(F)(F)F)[nH]2)cn1 585140777 JLLJZYAKIOJGNV-UHFFFAOYSA-N 301.272 1.588 0 40 DDAB CCCn1c(C)cc(/C=C/C(=O)N2CC[C@@H](C(N)=O)C2)c1C 71793013 AIXRYQWUUBMMGS-LLYBFZRZSA-N 303.406 1.862 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccccc3C)C2)n1 1775985926 JISQYLOOFGNYOR-UHFFFAOYSA-N 311.385 1.561 0 40 DDAB O=c1c2ccccc2ncn1CC1CCN([C@@H]2CCOC2)CC1 1776008699 MUXUHNIZHGFXRS-OAHLLOKOSA-N 313.401 1.897 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCO[C@H]2CCCC[C@@H]21 46492667 TXBIILMSGUUUSL-XEZPLFJOSA-N 303.358 1.996 0 40 DDAB Cc1ccccc1CNC(=O)CN(CC(N)=O)C1CCCC1 52826432 LRWWJGNOQWGHPV-UHFFFAOYSA-N 303.406 1.341 0 40 DDAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)N(C)C)CC1 40520431 HMIWDKDZORRTGR-LLVKDONJSA-N 309.414 1.727 0 40 DDAB Cc1ccnc2nc(C(=O)NC[C@@](C)(O)c3ccsc3)nn12 76092440 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COC[C@H](C)NC(=O)COc1ccc(C(=O)O)cc1Cl 13034887 HNRBWSINQAXPFQ-QMMMGPOBSA-N 301.726 1.568 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CC(Oc2cccnc2)C1 238833823 GLRJCQDEVQUGID-UHFFFAOYSA-N 312.325 1.643 0 40 DDAB CCOc1ccccc1CN1CC[C@]2(COCC(=O)N(C)C2)C1 2037984408 ZXSAUWLGWNTUCG-GOSISDBHSA-N 318.417 1.766 0 40 DDAB Cc1cccc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)n1 2037985152 ZFJOVZQHKBQMPZ-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB Cc1cc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)on1 21329465 SJMQXJMTIOTSNI-INIZCTEOSA-N 314.389 1.327 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cn2cnnn2)C2CC2)o1 41894317 GJAZQHGRGGJPBW-GXFFZTMASA-N 301.350 1.581 0 40 DDAB Cc1noc(CN2CCN(Cc3ccncc3F)[C@@H](C)C2)n1 2086903787 ALPKFHYPLMTUHP-NSHDSACASA-N 305.357 1.618 0 40 DDAB CN(C)c1ccc(CCNC(=O)C(=O)NC2CCCC2)cc1 11693709 RPJKJUWVKHWQTI-UHFFFAOYSA-N 303.406 1.470 0 40 DDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cccc(-n2cccn2)c1 575615315 DDGLKKQQIHZCCP-INIZCTEOSA-N 324.388 1.918 0 40 DDAB Cc1noc(C)c1C(=O)NCCn1cc(-c2ccncc2)cn1 575612498 FWOPXIRAGQBAIA-UHFFFAOYSA-N 311.345 1.980 0 40 DDAB Fc1cncnc1N1CCC(Oc2ccn3nccc3n2)CC1 2298067716 XJIYBVYAXBBARB-UHFFFAOYSA-N 314.324 1.706 0 40 DDAB O=C(CN1CCc2c1cccc2C(F)(F)F)N1CCNC1=O 97376418 IWJNJONMLVXDGD-UHFFFAOYSA-N 313.279 1.620 0 40 DDAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 30604678 PXWFIZKOFYALQU-NWDGAFQWSA-N 321.402 1.243 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N1CCCCC1 20123591 DHCQZRYJOXJXHE-ZDUSSCGKSA-N 312.410 1.483 0 40 DDAB Cc1ccnn1-c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 40468048 SXQKJUGNGSZQTQ-ZDUSSCGKSA-N 319.386 1.098 0 40 DDAB O=S(=O)(NC[C@@H]1CCCc2ccccc21)N1CCOCC1 40497351 OMESOVODOOYBSJ-AWEZNQCLSA-N 310.419 1.273 0 40 DDAB NS(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1F 31547710 BRLMHTZXLLLNKU-UHFFFAOYSA-N 320.345 1.676 0 40 DDAB Cc1cc2ncn(C[C@H](O)CN3CCC[C@H](O)C3)c2cc1C 51091048 JELKTQZQPVMUHF-LSDHHAIUSA-N 303.406 1.471 0 40 DDAB CCCCN(C)S(=O)(=O)NCc1cccnc1-n1cccn1 40527693 IMSGSZCSHHXTBI-UHFFFAOYSA-N 323.422 1.334 0 40 DDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccco1)c1ccccc1 33028917 UMIMBKABTHVNSS-AWEZNQCLSA-N 315.373 1.429 0 40 DDAB CC(C)C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)C(=O)N(C)C 53221220 WCRVQONKBIOXTK-CYBMUJFWSA-N 308.426 1.871 0 40 DDAB C[C@H](Cn1cccn1)NCc1ccc(-n2cncn2)c(F)c1 42227930 FGGZVUHFQXVLFB-GFCCVEGCSA-N 300.341 1.781 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2ccc(C)c(C)c2)n1 558398 JNCWTELHWKKIMN-UHFFFAOYSA-N 304.379 1.437 0 40 DDAB CCNC(=O)[C@@H](C(=O)OCCN(CC)CC)c1ccccc1 1593543 FOPKLMKFBMQOPG-HNNXBMFYSA-N 306.406 1.791 0 40 DDAB CN(C)c1nc(N)nc(CN2CCOc3ccc(F)cc32)n1 79074781 KUCKUHSAVFVDTK-UHFFFAOYSA-N 304.329 1.058 0 40 DDAB COc1cc(CNC(=O)CCn2cncn2)cc(OC)c1OC 23443971 TZEYQRHPHHQVEE-UHFFFAOYSA-N 320.349 1.010 0 40 DDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@H]1C 23892997 SCDVDSPQRGNHJX-BXUZGUMPSA-N 317.389 1.619 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 6176034 XQOYWKOCHOSTPV-CYBMUJFWSA-N 318.398 1.670 0 40 DDAB COC[C@H](C)NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 6738530 RHFHOEDNWKOTSK-ZUZCIYMTSA-N 322.361 1.348 0 40 DDAB Nc1nc(N2CC[C@H](COCc3ccccc3)C2)c2nc[nH]c2n1 97115357 QCKCZUAPECJUMS-ZDUSSCGKSA-N 324.388 1.978 0 40 DDAB CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 34863260 QXFXRCSVZUNKSZ-UHFFFAOYSA-N 309.218 1.930 0 40 DDAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)c(F)c1F 8013566 ZHIXZIVVQVHPPF-UHFFFAOYSA-N 315.276 1.918 0 40 DDAB C[C@@H]1NC(=S)N(c2ccc(N3CCN(C)CC3)cc2)C1=O 8709631 QMNHVMMLLXHMRE-NSHDSACASA-N 304.419 1.048 0 40 DDAB O=C(c1ccc2c(c1)CCO2)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 95349380 XXTVJGCXXFMPPD-CQSZACIVSA-N 321.398 1.413 0 40 DDAB CONC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 25825907 UYOUTESQMVRSCX-UHFFFAOYSA-N 320.798 1.660 0 40 DDAB O=C(CSc1nc2ccccc2[nH]c1=O)NCc1ccco1 9971269 CRONJUSHDFZKLZ-UHFFFAOYSA-N 315.354 1.925 0 40 DDAB CCOc1ccc(C(=O)NCCCN2CCN(CC)CC2)cn1 58162766 LIVJTUJECPZTHC-UHFFFAOYSA-N 320.437 1.238 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)C(C)(C)c3ccccc32)C[C@@H](C)O1 57355631 ULTYCHXJZQVVEO-CHWSQXEVSA-N 316.401 1.947 0 40 DDAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1c[nH]ccc1=O 44893109 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Cc1csc(=O)n1CC(=O)N1CC(=O)Nc2ccccc21 12888117 LUICNONYIJNFPD-UHFFFAOYSA-N 303.343 1.204 0 40 DDAB CCOC(=O)/C(C(N)=S)=C1\NN=C(c2ccc(OC)cc2)O1 100955228 IRUJPUUGIJJQHL-JLHYYAGUSA-N 321.358 1.037 0 40 DDAB NC(=O)C1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 29632270 FDOJZAXNOQQBMG-LBPRGKRZSA-N 322.792 1.615 0 40 DDAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCC(=O)N2)cc1 2644810 ILOLBQDOLNSJNG-ZWNOBZJWSA-N 304.346 1.398 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CCN(C4CC4)CC3)cc12 62640003 KBDLZGQUKMMPGP-UHFFFAOYSA-N 304.419 1.863 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@H]2C[C@@H]2C)cc1OC 13182560 FSNWQCIXSAIILV-DLOVCJGASA-N 307.346 1.992 0 40 DDAB O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](NC2(CO)CC2)C1 97100351 CBIBQBYWLQOUHT-CHWSQXEVSA-N 314.385 1.708 0 40 DDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCSc2ccccc21 9315598 FYKWEXFHWPSPSI-GHMZBOCLSA-N 319.386 1.328 0 40 DDAB CC1=NN(C(=O)[C@H](C)n2cc(Cl)cn2)[C@@](O)(C(F)(F)F)C1 6394998 REQOLVUWOUSIDT-XVKPBYJWSA-N 324.690 1.957 0 40 DDAB CCOC(=O)CSc1nnc(Cc2ccccc2)c(=O)[nH]1 9483033 ACEQMBSIBANWKQ-UHFFFAOYSA-N 305.359 1.411 0 40 DDAB OCCN(Cc1ccccc1)C[C@H](O)COc1ccccc1 6529468 SJBZDXHHFOXXEV-KRWDZBQOSA-N 301.386 1.921 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1c1cnn(C)c1 71799307 OMZPMWULNUMELT-CYBMUJFWSA-N 302.382 1.536 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(Cl)c3)[C@H]2C1 6662597 VAUSUEMCZPTJJV-ZJUUUORDSA-N 302.808 1.200 0 40 DDAB OCCNC[C@@H](O)COc1ccc(OCc2ccccc2)cc1 4723924 HBBXEWHBQPLEGQ-MRXNPFEDSA-N 317.385 1.587 0 40 DDAB O=c1[nH]c(=O)n(Cc2ccn(-c3ccc(F)cc3)n2)cc1Cl 84421998 LFMBPCVFBRBJMC-UHFFFAOYSA-N 320.711 1.563 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)Cc1csc(C(C)(C)C)n1 71888279 DRNOJOAROJSYQL-UHFFFAOYSA-N 321.406 1.752 0 40 DDAB COCCN(C)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 71857137 XUTLIKYDJSUJKP-UHFFFAOYSA-N 324.400 1.688 0 40 DDAB CNC(=O)c1cccc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 83882358 GZSSHXJUXMJJIA-AWEZNQCLSA-N 324.384 1.654 0 40 DDAB C[C@@H]1CCCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 7340744 WYZXPCCCPRTYON-GFCCVEGCSA-N 310.419 1.761 0 40 DDAB COc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 7973990 OCQBLDZKHMZPFQ-HNNXBMFYSA-N 320.389 1.308 0 40 DDAB COc1ccc(OC)c([C@H]2C[C@H](C)Nc3nc(CO)nn32)c1 95477200 YPFOOHSJLMIJFY-JOYOIKCWSA-N 304.350 1.581 0 40 DDAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccc(C)o2)cc1 8156373 BOPXKOMFOWRAOV-UHFFFAOYSA-N 317.297 1.710 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNC[C@H]1CCCCO1 69150602 ZEQRQPJZIDQELR-CQSZACIVSA-N 312.435 1.596 0 40 DDAB CCC(C)(C)OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 95411883 IPPGEGDEUWVRNY-ZDUSSCGKSA-N 303.362 1.838 0 40 DDAB COC[C@H](C)N1C[C@H](C(=O)NCc2ccc(C)cc2)CC1=O 8234976 WEDBCARHJIRLMF-DZGCQCFKSA-N 304.390 1.495 0 40 DDAB Cc1cnn(C[C@H](C)NCc2cccc(OCC(N)=O)c2)c1 69632777 CJLDKMKUAYRWNA-ZDUSSCGKSA-N 302.378 1.234 0 40 DDAB O=S(=O)(NCC[C@H]1CCCO1)c1cc(F)c(F)cc1F 69658842 DQYHEIGPFHELBO-MRVPVSSYSA-N 309.309 1.951 0 40 DDAB Cc1cccc(C(=O)NCCNc2nnnn2-c2ccccc2)n1 69658106 OXOARPBTXGIOBO-UHFFFAOYSA-N 323.360 1.208 0 40 DDAB Cc1cccc(C2(C(=O)NC[C@H](C)N3CCN(C)CC3)CC2)c1 69777146 ZRFAMXPJKOUNJS-INIZCTEOSA-N 315.461 1.779 0 40 DDAB Cc1ccc(C(=O)NCc2noc(O)n2)c(Br)c1 97032080 ZFNMKKDTVWLVTI-UHFFFAOYSA-N 312.123 1.776 0 40 DDAB CC(=O)N1CCC(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)CC1 72268561 MAFRHPITVBAYMC-ROUUACIJSA-N 321.465 1.720 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269372 LEYQFISBZDGZIP-ZIAGYGMSSA-N 318.373 1.087 0 40 DDAB c1ccc(-c2n[nH]c(SCc3nnnn3C3CC3)n2)nc1 72287059 MILAXBLVQOJNFM-UHFFFAOYSA-N 300.351 1.480 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCSC3)C1 95416344 MDHWFWLJKHNFGA-VIFPVBQESA-N 310.444 1.875 0 40 DDAB CCCCCNC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 75106739 XFKCBHOOIKXDMU-HNNXBMFYSA-N 310.398 1.196 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCc2csc(C)n2)C1 89709094 VQHOKEXVUIIKHY-GFCCVEGCSA-N 310.423 1.304 0 40 DDAB C[C@@H](Cc1ccsc1)N(C)CC(=O)N[C@@H]1CCSC1=O 89904287 UBNYFXINPVEUBT-CMPLNLGQSA-N 312.460 1.759 0 40 DDAB O=C(C1CC1)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 67897423 USJWCWVDQJVQJB-CABCVRRESA-N 300.358 1.035 0 40 DDAB biogenic,in-vitro Cn1ccnc1CN1CCO[C@@H]2[C@@H](Cn3cccn3)CC[C@H]21 306140624 UZCVUJAHTCHMCG-IIAWOOMASA-N 301.394 1.296 0 40 DDAB CCOC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 408586333 NNHWCNPLLKZXKQ-UHFFFAOYSA-N 316.379 1.950 0 40 DDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccncc1 536949705 LUTAFCQKHIGHJH-RYUDHWBXSA-N 310.350 1.571 0 40 DDAB COCCN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1 36125615 CQZZGXQZMPVAGZ-UHFFFAOYSA-N 314.389 1.875 0 40 DDAB Cc1cc(C)n(-c2cncc(NCC3(O)CCOCC3)n2)n1 77217545 WHKKACMAVUMBPE-UHFFFAOYSA-N 303.366 1.233 0 40 DDAB CCOC(=O)[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218383829 LEYJJZMAQJTMIF-GMXVVIOVSA-N 317.794 1.111 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)n2cc(Br)cn2)C[C@@H](C)O1 32611334 UUEAHULKWYPPKJ-OPRDCNLKSA-N 316.199 1.842 0 40 DDAB O=C(O)CN[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391531 LISLRYFKTCKXTM-KBPBESRZSA-N 306.362 1.898 0 40 DDAB Cn1cc([C@@H]2N(C(=O)c3ccc4nc[nH]c4n3)CC2(C)C)cn1 566919947 ZFTHVJYKBYDRFD-ZDUSSCGKSA-N 310.361 1.915 0 40 DDAB O=c1[nH]c(C2CCOCC2)nc2nc(Br)cnc12 225733595 ADSWVUXWDPRKKM-UHFFFAOYSA-N 311.139 1.370 0 40 DDAB COc1cc(N2CCCCC2)nc(NC(=S)NC2CC2)n1 226002585 DXJKFXWGROEMEL-UHFFFAOYSA-N 307.423 1.924 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@H]1c2ccccc2CC[C@@H]1CO 225390707 AGIJWTBWJDPQEN-RDTXWAMCSA-N 313.401 1.981 0 40 DDAB COc1c(CNC(=O)N(C)CC2(N(C)C)CCC2)c(C)nn1C 225467986 ODBDXBNWLFYPTJ-UHFFFAOYSA-N 323.441 1.363 0 40 DDAB CC(C)NC(=O)N1CCN2C(=O)N(Cc3cccnc3)C[C@H]2C1 85436062 FFBWRLKOACYMRL-CQSZACIVSA-N 317.393 1.121 0 40 DDAB biogenic,in-vitro O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1)N1CCC(N2CCCC2=O)CC1 195542362 PCUVRMTXCCGVSU-KBMXLJTQSA-N 319.449 1.521 0 40 DDAB COc1ccccc1CCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225790421 HUFBTXFPSGZORT-YJNKXOJESA-N 317.341 1.008 0 40 DDAB CN(C(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1)C1CCOCC1 574116816 BHPUPFIONGZBGY-JTQLQIEISA-N 306.309 1.259 0 40 DDAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)[nH]1 223564585 XCGINBHUFOCBSH-CABCVRRESA-N 316.430 1.991 0 40 DDAB Cc1ccc(OCC(=O)N2CC[C@H](Oc3cccnn3)C2)cc1 225411178 DPRMYCRHRLXEHN-HNNXBMFYSA-N 313.357 1.844 0 40 DDAB OCCN1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 96239814 XCSMAUVBPYLAJK-AWEZNQCLSA-N 315.339 1.751 0 40 DDAB Cc1nc(C)c(C(=O)Nc2ccc(CN3CCOCC3)cn2)o1 96485484 CCVIGLVFEOBFEN-UHFFFAOYSA-N 316.361 1.771 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H](C)N1CCc2ccccc2C1 96412339 IHHARVKADAHWPU-CHWSQXEVSA-N 304.390 1.501 0 40 DDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COc3ccccn3)C2)cn1 96109037 OCWGYSZKZNKLIY-WBVHZDCISA-N 314.389 1.343 0 40 DDAB CN1CC[C@]2(CN(c3ncccn3)C[C@H]2c2ccccc2)C1=O 96201844 VMAVZEIFCSKXSI-MAUKXSAKSA-N 308.385 1.929 0 40 DDAB CC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H](C)[S@@]1=O 332252228 RLFQAAAXUVXIMU-DCVWQXJKSA-N 305.403 1.706 0 40 DDAB CCN(CC)C[C@H]1CN(S(=O)(=O)C2CC2)Cc2cncn21 248248249 KQPOJWVPIURXPB-ZDUSSCGKSA-N 312.439 1.074 0 40 DDAB CO[C@H]1CCOC2(C1)CN(C(=O)COc1ccc(F)cc1)C2 247944736 JMAATCSLBHSOTO-AWEZNQCLSA-N 309.337 1.611 0 40 DDAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)C2)ncn1 257319663 VTMZWPWMVHASIR-LBPRGKRZSA-N 316.405 1.417 0 40 DDAB CCCc1cc(C(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)no1 257222515 DTOIBUYLURHGCV-ZDUSSCGKSA-N 304.350 1.872 0 40 DDAB COCC(=O)N1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 257275556 NPWJGLPPXBHPKV-NSHDSACASA-N 301.350 1.219 0 40 DDAB Cc1cc(C)cc([C@@H](O)CNC(=O)NC[C@@H]2CCCN(C)C2)c1 252490288 KNYZKEOMBYTCND-RDJZCZTQSA-N 319.449 1.978 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCOC[C@@H]1c1ccn[nH]1 257204700 AVYAGQGXHWZPNT-CYBMUJFWSA-N 311.338 1.311 0 40 DDAB COC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 85346023 JHAOIKIDMBFIAD-UHFFFAOYSA-N 311.301 1.981 0 40 DDAB Cn1cnc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)c1 257273317 NGCBGWJTQHXNCM-ZDUSSCGKSA-N 301.350 1.382 0 40 DDAB CC(C)=CC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69812387 DRFTVQATOOKDNR-CQSZACIVSA-N 322.430 1.922 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1cccc(C)c1 585288256 SKQMWHZHOZZIGI-INMHGKMJSA-N 307.390 1.425 0 40 DDAB Cn1nccc1CN1CCC[C@@](O)(COc2cccc(F)c2)C1 585269319 PBZKSINUXJHIKE-KRWDZBQOSA-N 319.380 1.965 0 40 DDAB Cc1ccc(C[C@@]2(CO)CN(Cc3cnccn3)CCO2)cc1 585275881 KIUPCCMOJSHEFO-SFHVURJKSA-N 313.401 1.591 0 40 DDAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](C(N)=O)C1 69490549 PBBTZCQARSOTFJ-LBPRGKRZSA-N 313.357 1.988 0 40 DDAB CCCN1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)CC1 71903915 KOBKYFOEQBPJGV-UHFFFAOYSA-N 310.829 1.969 0 40 DDAB COCCCNC(=O)NCC[S@](=O)c1ccccc1F 71909934 NKUUASDHWYWVOQ-HXUWFJFHSA-N 302.371 1.269 0 40 DDAB Cc1ccc(N2CCC[C@@H](NCc3nc(C)ccc3O)C2)nn1 71877210 OUMHWEINAXRHRL-CQSZACIVSA-N 313.405 1.953 0 40 DDAB CCc1cnc(OC2CCN(CCn3cccn3)CC2)nc1 1776008376 FLLRPIAXJSFZIN-UHFFFAOYSA-N 301.394 1.779 0 40 DDAB O=C(N[C@H]1CCc2ccccc21)c1cnc2n(c1=O)CCS2 40476171 AKRHBWKVPBZLOI-ZDUSSCGKSA-N 313.382 1.766 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@H](c3noc(C)n3)C2)CCC1=O 75607078 BKZZRJBQMVGNJE-NSHDSACASA-N 319.365 1.082 0 40 DDAB CO[C@@H]1[C@H](C)[C@H](NCc2cnc(N3CCOCC3)nc2)C1(C)C 95463782 AEOIXTNIYUHBGU-VHDGCEQUSA-N 320.437 1.462 0 40 DDAB COCCCn1nnnc1SCC(=O)Nc1ccccc1 5000809 VXERAJIZCKCDKP-UHFFFAOYSA-N 307.379 1.440 0 40 DDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc2c(c1)OCO2 11999480 CRGIYKYZQISKTH-LLVKDONJSA-N 314.407 1.424 0 40 DDAB O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1CCN1CCCC1 12146256 WUZLHSNEFISDKW-INIZCTEOSA-N 313.401 1.734 0 40 DDAB CCCCCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 12374157 NSCADANKAMIKHC-UHFFFAOYSA-N 319.409 1.604 0 40 DDAB Cc1cc(C)c(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(C)c1 13582019 SUIHKGPJPGXFBR-UHFFFAOYSA-N 323.374 1.098 0 40 DDAB COC(=O)c1ccc(OCc2cc(O)n3ncnc3n2)cc1 18077163 ZFLFTANDXHMCKE-UHFFFAOYSA-N 300.274 1.196 0 40 DDAB NC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 15539917 GVEJLJLWNMFMED-UHFFFAOYSA-N 323.308 1.020 0 40 DDAB COc1ccc(C(=O)O[C@H](C)C(N)=O)cc1Br 5355350 IXMYBFSIBBGGJY-ZCFIWIBFSA-N 302.124 1.488 0 40 DDAB CCCCn1nnnc1Cn1cnc2cc(F)ccc2c1=O 21734907 MRNULIZJWIGDIV-UHFFFAOYSA-N 302.313 1.371 0 40 DDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccsc3)CC2)n1 238963248 YRUXUYGGNMDZBI-UHFFFAOYSA-N 318.402 1.951 0 40 DDAB CCOc1ccc(-c2noc(CNC(=O)[C@@H]3CCCO3)n2)cn1 244998760 KSMRDKNYYBOUJZ-NSHDSACASA-N 318.333 1.326 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(C3CCOCC3)CC2)C1 2037835082 XGEDIXWRMYWFLR-MRXNPFEDSA-N 310.438 1.657 0 40 DDAB O=C(CN1CCCC1)N1CCC(O)(COc2ccccc2)CC1 2037909006 LTAGOSMEHOZZHW-UHFFFAOYSA-N 318.417 1.515 0 40 DDAB CC(C)(CN=c1nc(C(F)(F)F)[nH]s1)N1CCOCC1 573165937 CLZXVWYQOHIMIS-UHFFFAOYSA-N 310.345 1.502 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(c2ncc(F)cn2)CC1 269457319 GDBWWDYYQQTQQO-UHFFFAOYSA-N 322.365 1.127 0 40 DDAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1CC1CC1 2086928922 YGLBULBXSPWBQX-UHFFFAOYSA-N 300.314 1.180 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(F)cc1 10332692 QIBPRWNRYHTDBE-LBPRGKRZSA-N 320.324 1.171 0 40 DDAB CN(C)c1ccc(CCCNC(=O)C(=O)NC(C)(C)C)cc1 11693761 UJKOBJWQTORKGI-UHFFFAOYSA-N 305.422 1.716 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2csc(C)n2)C1 2055772211 IIARHLIAEODJTO-OAHLLOKOSA-N 319.434 1.385 0 40 DDAB CO[C@@H](CCSC)CNC(=O)C(=O)NCc1cccs1 1775969162 ZOVXCWURADSAAD-JTQLQIEISA-N 316.448 1.249 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCc1c(F)cccc1F 585149708 KFQDTWHDQYFQCT-GWCFXTLKSA-N 310.344 1.989 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)NC(=O)N[C@]1(O)C(F)(F)F 4009139 JHDZPJDJVWEPKT-CKYFFXLPSA-N 320.242 1.636 0 40 DDAB CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)Cc2cccs2)C1=O 102688165 PONJIDSCIPGRHU-PWSUYJOCSA-N 308.403 1.579 0 40 DDAB CCCN(CCO)C[C@H](O)COc1ccc(NC(C)=O)cc1 30529619 DIYQVBFMZAYQNO-HNNXBMFYSA-N 310.394 1.089 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN1C[C@@H](C)C[C@H](C)C1 40105671 ZSNRPIMLRCMMNS-QWRGUYRKSA-N 315.439 1.548 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1cccnc1OC1CCCC1 40529215 WJBLHTWHMOEGJT-SNVBAGLBSA-N 306.366 1.076 0 40 DDAB Cn1cc(C(=O)O)c(C(=O)Nc2nc3ccccc3s2)n1 20614747 DOOSNEPITPVKBD-UHFFFAOYSA-N 302.315 1.980 0 40 DDAB COc1ccc(CN(C)C(=O)CN2CCC[C@@H](O)C2)cc1F 20941648 GKOQJMWCTGGDTJ-CYBMUJFWSA-N 310.369 1.249 0 40 DDAB O=C1CCc2cc(S(=O)(=O)NCc3ccoc3)ccc2N1 32927587 FAOWLUMLBJHMIM-UHFFFAOYSA-N 306.343 1.643 0 40 DDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 53203102 FCGAVTKEVQUOGD-JTQLQIEISA-N 306.790 1.852 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@H]2CCC[C@H]21 53372504 PDFZPAMEEMVHDK-KGLIPLIRSA-N 303.358 1.780 0 40 DDAB COc1ccc([C@@H](C)NC(=O)Cn2cccnc2=O)c(OC)c1 42042154 DXOQEHNWOOTFEK-LLVKDONJSA-N 317.345 1.138 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2CCCS(N)(=O)=O)n1 72253296 HZHFKFWRYKIODS-AWEZNQCLSA-N 314.455 1.033 0 40 DDAB Cc1cc(NC(=O)CS(=O)(=O)c2ccc(F)cc2F)no1 47658336 RFYCNUAYJOIWJQ-UHFFFAOYSA-N 316.285 1.674 0 40 DDAB Cc1cccc(C)c1NCC(=O)NC[C@@](C)(O)c1cnn(C)c1 78972962 OTAQQHHKWVZMEY-QGZVFWFLSA-N 316.405 1.473 0 40 DDAB O=C(CNC(=O)Nc1cc(Cl)ccc1Cl)NCCO 79107169 LHIFUFXKYLIKMW-UHFFFAOYSA-N 306.149 1.223 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)Nc1ccccn1 79358758 IXYAZJSFLIYSSO-ZDUSSCGKSA-N 314.345 1.987 0 40 DDAB COc1ccnc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)n1 42848090 QTMHPRFZQBKEDJ-SECBINFHSA-N 308.363 1.306 0 40 DDAB Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 106758052 AOZPZCPGQWSGDK-HOCLYGCPSA-N 304.390 1.353 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCCc2ccccc2)c1 8167267 ORROVVNJFSPLDM-UHFFFAOYSA-N 312.369 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0 40 DDAB CC(C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)N1CCCCC1 70011081 WMLVPAGTLHSEKG-JKSUJKDBSA-N 311.470 1.022 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCC[C@H]3Cn3cccn3)c2n1 69629214 GDCRUHUWAOSTOP-ZDUSSCGKSA-N 310.361 1.539 0 40 DDAB CCn1nc(C)cc1C(=O)N[C@H](Cn1cncn1)c1ccccc1 69809991 IRUWRQNZTNZNOK-OAHLLOKOSA-N 324.388 1.974 0 40 DDAB Cc1cccc(-c2nc(CNC[C@@H]3CCc4nncn4C3)no2)c1 71877617 NLDPTNBKXCTUJZ-ZDUSSCGKSA-N 324.388 1.989 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(C(F)(F)F)nc1 71829673 DMKBYODRXBSAGX-WPRPVWTQSA-N 315.295 1.826 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCO1 92238024 YEJWEUMPRNWQRT-ZYHUDNBSSA-N 307.371 1.578 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)n1 71865442 CSHBBCYSXPOQDA-KBPBESRZSA-N 304.394 1.160 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)NCC[C@H](C)O)CC1=O 83827738 OKJZGOFYBCECBG-GXTWGEPZSA-N 304.390 1.489 0 40 DDAB CC(CO)(CO)NC(=O)CCc1ccc(Br)cc1 97373207 NOMLUGLVOFCAHG-UHFFFAOYSA-N 316.195 1.241 0 40 DDAB OCCC1(NCc2nc(-c3cccs3)no2)CCOCC1 84445060 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1.053 0 40 DDAB CC(C)OCCCNC(=O)Cn1ccc(=O)c2ccccc21 145182547 FEDWTOTXMFPMDW-UHFFFAOYSA-N 302.374 1.933 0 40 DDAB CN(C)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1 96143912 SGABDRIUJQELFB-SJLPKXTDSA-N 300.402 1.985 0 40 DDAB CC(C)C(=O)N1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 96075068 SIPCOTWHZCHONC-QAPCUYQASA-N 315.417 1.935 0 40 DDAB CCN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)N(C)C)C2)C1 96220204 VTVYHYNEGWZFRF-DOTOQJQBSA-N 309.454 1.738 0 40 DDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C)c1ccsc1 96414271 CKBDUKGLWQYXJE-NSHDSACASA-N 318.464 1.639 0 40 DDAB CC(C)N1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@H](C)C1 246969474 FZWGJJHRAVNHMT-UKRRQHHQSA-N 313.405 1.726 0 40 DDAB COc1cccc(N2CCC[C@H](NC(=O)[C@H]3CCCO3)C2)c1 248154782 YILRELGMJAEKMZ-XJKSGUPXSA-N 304.390 1.959 0 40 DDAB Cn1cc(CN2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)cn1 248131659 NKSZECCVQMBVNU-HNNXBMFYSA-N 314.389 1.628 0 40 DDAB CCCNC(=O)CN(c1ccccc1OCC)S(C)(=O)=O 243475086 NLIGUPARBXXWTG-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB Cn1cc(CN2CC3(C[C@H](Oc4ccccn4)CS3)C2)cn1 248147726 SLDUHOVARDMOCP-AWEZNQCLSA-N 316.430 1.954 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2cnn(C)c2C)CCO1 257295177 QXGYXDSSPDEIDF-ZDUSSCGKSA-N 302.382 1.134 0 40 DDAB CCCn1ccc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)n1 257236747 HDPBESOEMUHCDV-GFCCVEGCSA-N 315.377 1.809 0 40 DDAB CN1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1 252486017 CLXTZQJTORJWFK-BYCMXARLSA-N 310.344 1.863 0 40 DDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](N)c3ccccc3)[C@H]2C1 253369554 DYHYNHMNIUWZFW-FXUDXRNXSA-N 304.390 1.481 0 40 DDAB Cc1cnc(CN2CCO[C@H](CCc3ccnc(N)c3)C2)cn1 257233716 GQJZRSNTQFAFDU-MRXNPFEDSA-N 313.405 1.596 0 40 DDAB Ic1c[nH]nc1I 22016520 NQFPCGSUWQGQNW-UHFFFAOYSA-N 319.871 1.619 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)[C@H]([C@@H](C)O)C1 390835823 ZDVGWASLEZCSND-GYSYKLTISA-N 301.383 1.996 0 40 DDAB CCCCC(=O)N1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 575403413 KEUXDPRXRVSFFX-LBPRGKRZSA-N 314.451 1.368 0 40 DDAB CCN1CCCC[C@H]1CNc1ccccc1S(=O)(=O)NC 585142259 RWUHNDLOMCRFAN-ZDUSSCGKSA-N 311.451 1.881 0 40 DDAB CCOC(=O)[C@H](F)[C@@H]1CCN(c2cc(C)nc(COC)n2)C1 585142282 RZHOCGUDZZYBNG-BXUZGUMPSA-N 311.357 1.659 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NCC2CCC2)ccc1Cl 31438706 ZHTHMBIIQAWMQI-UHFFFAOYSA-N 316.810 1.778 0 40 DDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)C1 44456942 XEBDGELMQDIIRS-VIFPVBQESA-N 323.823 1.053 0 40 DDAB COc1cc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2=O)ccn1 1776008031 UBYBSCATMAOUIA-ZDUSSCGKSA-N 315.373 1.622 0 40 DDAB COCc1nn(Cc2nc(-c3ccccc3)oc2C)c(=O)o1 84052801 CSEYAZCENYDAPJ-UHFFFAOYSA-N 301.302 1.994 0 40 DDAB O=C(c1ccc(F)cc1F)N1CCN(C[C@H](O)C2CC2)CC1 85436675 TWGSCLOZXZVPOV-HNNXBMFYSA-N 310.344 1.494 0 40 DDAB CN1C[C@@H](C(=O)N2CCC(O)CC2)[C@@H]2COc3ccccc3[C@@H]21 1772596004 YGSXJODPFICORC-VYDXJSESSA-N 316.401 1.281 0 40 DDAB CCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 5978726 FMENLRZRVZLQQE-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB CCc1cnc2c(c1Nc1ccncc1)c(=O)n(C)c(=O)n2C 12227171 RBCKABIYHKJPPW-UHFFFAOYSA-N 311.345 1.333 0 40 DDAB Nc1nc2nc3c(c(-c4ccc(O)cc4)c2c(=O)[nH]1)C(=O)CCC3 12391736 IBJVECFPPHDWLB-UHFFFAOYSA-N 322.324 1.792 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)nc1 16229372 LAQWCJYBTZJWIL-AWEZNQCLSA-N 314.341 1.604 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1F 606440668 LREGTQSEOKMTEQ-LLVKDONJSA-N 308.309 1.501 0 40 DDAB Cc1cc(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)no1 225566995 XEOAEYXOLCLFEC-CYBMUJFWSA-N 309.435 1.930 0 40 DDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cc(C)nn3C)C2)nn1 1888852963 ANSTVLMLAXBAOS-ZDUSSCGKSA-N 315.377 1.368 0 40 DDAB C[C@@H](c1ccccc1)N1CCO[C@@H](C(=O)N2CCOCC2)C1 1889119653 UXXPCKUGDCAOJO-GOEBONIOSA-N 304.390 1.307 0 40 DDAB CC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccco2)c1 5250838 LGWKQPFGFDBBKW-UHFFFAOYSA-N 301.302 1.493 0 40 DDAB CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13696560 ACLVABIPAXYACO-UHFFFAOYSA-N 306.343 1.854 0 40 DDAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1 18211534 PHCMZOAPDVIUTP-UHFFFAOYSA-N 318.358 1.819 0 40 DDAB CNC(=O)c1nsc(C(=O)NCc2cccc(OC)c2)c1N 49006203 WEJNJUGAKKXAER-UHFFFAOYSA-N 320.374 1.024 0 40 DDAB CCc1onc(C)c1C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 97097810 SDHBBQYEHGSEFW-MRXNPFEDSA-N 318.377 1.667 0 40 DDAB O=C(NCCCn1cccn1)c1cccc(N2CCCC2=O)c1 30169227 YMJCHFNWZUKSQM-UHFFFAOYSA-N 312.373 1.830 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 40086874 FQHHGLNOANUZNR-GHMZBOCLSA-N 314.407 1.838 0 40 DDAB CC(=O)c1ccc(N2CCN(CCS(C)(=O)=O)CC2)cc1 40460417 ALIHHVYHRBYDHW-UHFFFAOYSA-N 310.419 1.056 0 40 DDAB CN1CCC(O)(CNC(=O)Nc2cc(C(C)(C)C)on2)CC1 72294235 YTKKUFQHVBTIGG-UHFFFAOYSA-N 310.398 1.550 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1 78822508 OYIXXHCZBVSCPD-CABCVRRESA-N 311.470 1.872 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 79023863 KEOYOMVQHRYZBY-HIFRSBDPSA-N 317.389 1.772 0 40 DDAB COC(=O)c1ccc(COC(=O)N2C=CC[C@@H]2C(=O)O)cc1 1642769 ZQPHGQICLWNNSD-GFCCVEGCSA-N 305.286 1.782 0 40 DDAB CCS(=O)(=O)C(CCc1ccccc1)S(=O)(=O)CC 1679094 JOHFNSNIAPGTKO-UHFFFAOYSA-N 304.433 1.815 0 40 DDAB CN(c1ccccc1)c1ccc(CNS(N)(=O)=O)cc1F 79284712 TYTOJPMVENYOCA-UHFFFAOYSA-N 309.366 1.887 0 40 DDAB C[C@H]1CN=C(N2CCN(C[C@H](O)c3ccccc3)CC2)S1 79496564 CSTYDQFTPPGBGT-ZFWWWQNUSA-N 305.447 1.829 0 40 DDAB C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1nncn1C 43165137 IHSGOYYCGFTSSU-PWSUYJOCSA-N 301.350 1.699 0 40 DDAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21 4945578 XDOITTHTOUGHSY-LLVKDONJSA-N 301.346 1.545 0 40 DDAB C[C@H]1Cc2cc(C(=O)N(C)CC3CC3)ccc2N1S(C)(=O)=O 47904348 VWVGCEDSQPBHJB-NSHDSACASA-N 322.430 1.879 0 40 DDAB NS(=O)(=O)c1cccnc1N1CC[C@H](c2cccc(F)c2)C1 95396267 GAZIIZWNCLZHMJ-LBPRGKRZSA-N 321.377 1.862 0 40 DDAB Cc1cc(=O)[nH]c(Nc2nc(C)c3cc4c(cc3n2)OCO4)n1 8020185 UFFGJDFZJLHBBQ-UHFFFAOYSA-N 311.301 1.802 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1OCC 8478822 OCVQADDRCUBXMJ-NSHDSACASA-N 317.407 1.797 0 40 DDAB CC(=O)c1ccc(N2CCN(c3ccc4nnnn4n3)CC2)cc1 8723458 OKKBVSDCKDZDSN-UHFFFAOYSA-N 323.360 1.049 0 40 DDAB COc1cc(C(=O)NCc2noc(C)n2)cc(OC)c1OC 9974817 SALDEUSMRVYBMQ-UHFFFAOYSA-N 307.306 1.334 0 40 DDAB CCc1ccccc1NC(=O)CCN1C(=O)NC(C)(C)C1=O 10024960 RUIIRLACTKPPSL-UHFFFAOYSA-N 303.362 1.908 0 40 DDAB COc1cc(NC(=O)CCS(C)(=O)=O)c(OC)cc1Cl 62158873 WOYPUUKTJNTBIU-UHFFFAOYSA-N 321.782 1.730 0 40 DDAB O=c1ccc(-c2ccccc2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2 100736840 RUSSTMVFYKPPQO-GJZGRUSLSA-N 311.385 1.556 0 40 DDAB CC[C@](C)(NC(=O)COCCOc1ccccc1)C(=O)OC 58282681 LYMUGNCQMAUCAO-INIZCTEOSA-N 309.362 1.540 0 40 DDAB CCN1CCN(C(=O)CCn2cc(Br)cn2)CC1 27968819 SGOGJGNGTMVPBU-UHFFFAOYSA-N 315.215 1.200 0 40 DDAB CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)[C@H](C)COC 44909741 SFYFFIWRAHBMKY-WBMJQRKESA-N 320.389 1.684 0 40 DDAB NC(=O)[C@H]1CCCCN1Cc1csc(-c2ncccn2)n1 44975148 WIVRAAKJQSTRTK-LLVKDONJSA-N 303.391 1.440 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)CN2CCOCC2)c1C 44943297 TVFXJYHCDXEPGD-SNVBAGLBSA-N 307.394 1.285 0 40 DDAB CCCN1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 27935428 ZQSMNKCNIGDJDN-UHFFFAOYSA-N 306.362 1.348 0 40 DDAB CC(=O)N[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)C(C)C 12757176 XMBWGLXKVYUTIT-CZUORRHYSA-N 320.389 1.446 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(CCc3ccccn3)C2)no1 95402242 BQBZDQJFLVYTAF-OAHLLOKOSA-N 301.394 1.522 0 40 DDAB C[C@H](c1ccccc1)N(C)CC(=O)N[C@@H]1CCCCNC1=O 58342505 ZYJWAACKKRQOTK-UKRRQHHQSA-N 303.406 1.464 0 40 DDAB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(C=O)CC[C@@]341 100393479 AZHWHXLRFIFKTO-DHMYTKHGSA-N 313.353 1.028 0 40 DDAB biogenic,in-vitro CCCNC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 3301471 OJABXZVQYFAWBM-ZDUSSCGKSA-N 303.362 1.066 0 40 DDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1C 11206459 FQYVOYYICOFXTR-OAHLLOKOSA-N 324.446 1.120 0 40 DDAB O=C(O)c1ccc(NC2=CC(=O)N(Cc3ccco3)C2=O)cc1 11613101 ZYCUNEGPWUEPKL-UHFFFAOYSA-N 312.281 1.843 0 40 DDAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCCNCC1 36983628 USXDCSKDGSZEQP-UHFFFAOYSA-N 309.218 1.977 0 40 DDAB CCCCCc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 12866976 LHZILNROACBRLI-UHFFFAOYSA-N 315.373 1.908 0 40 DDAB C[C@@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 46597881 GWKCMCKYJJMOME-HTQZYQBOSA-N 301.799 1.979 0 40 DDAB Cc1nnc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)s1 12989631 HDRMGLUOAWQAFB-UHFFFAOYSA-N 323.403 1.833 0 40 DDAB CCn1cnnc1CNC(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 49208275 LSBNCZURDRQLHJ-KBPBESRZSA-N 322.457 1.465 0 40 DDAB COCCCNC(=O)C(=O)Nc1ccc(Br)cc1 4122288 IRARZEXOPRHYGX-UHFFFAOYSA-N 315.167 1.540 0 40 DDAB CC(=O)NCc1ccc(C(=O)NCc2c(C)noc2C)s1 65479404 FENYOQOGQGAHMN-UHFFFAOYSA-N 307.375 1.919 0 40 DDAB O=C1C[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)c2ccccc2N1 65516202 ADQCEBBBXAIJPB-DGCLKSJQSA-N 310.357 1.440 0 40 DDAB CCO[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)c1ccccc1 65532606 LKUXQIZUNPLSQN-CQSZACIVSA-N 320.389 1.163 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1N 97147740 YEPNVOLCUWOMOI-CQSZACIVSA-N 308.407 1.678 0 40 DDAB Cc1ccccc1CCNC(=O)c1cnc2n(c1=O)CCS2 14137044 LFDLUEUXXNISOK-UHFFFAOYSA-N 315.398 1.630 0 40 DDAB CCC(C)(C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 65611543 XFVGPHAICPZKLX-UHFFFAOYSA-N 308.378 1.612 0 40 DDAB COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cn1 6580305 XGMBCGIHOCALPB-UHFFFAOYSA-N 310.313 1.439 0 40 DDAB NC(=O)CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 97106908 NZLDHRTUQHXMPC-UHFFFAOYSA-N 314.176 1.539 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1CCc1ccc(Cl)nn1 72343961 HELNXXFMAVIIJD-LLVKDONJSA-N 303.815 1.877 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 5930310 YDWDTABFQXFNCH-JHJVBQTASA-N 320.389 1.894 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)Cc2noc3ccccc23)C1 96369544 GYZOPRMSFUMDPP-JTQLQIEISA-N 308.359 1.016 0 40 DDAB Cc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1F 15879407 NWWBVGRMEGFEEC-UHFFFAOYSA-N 304.277 1.618 0 40 DDAB COCc1ccccc1C(=O)NCc1nc(C(=O)O)cs1 90932470 FFLKFAKYBFTAGQ-UHFFFAOYSA-N 306.343 1.918 0 40 DDAB COc1ccccc1C1(CNC(=O)NCC(=O)N(C)C)CC1 69324713 YXCUDIYZPMGJHG-UHFFFAOYSA-N 305.378 1.114 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCCN2C(=O)NC(C)(C)C2=O)c1 69490826 CNDMAIIPHALWQV-RYUDHWBXSA-N 307.398 1.061 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)c1 69454624 QVYPLJPKLAVSFB-ZDUSSCGKSA-N 314.393 1.525 0 40 DDAB c1cnn(C[C@H]2CN(Cc3ccc(-n4cccn4)cc3)CCO2)c1 69417971 JKBQLUVACACBGP-GOSISDBHSA-N 323.400 1.970 0 40 DDAB O=c1cc2c(nn1CN1CCO[C@@H](c3ccccc3)C1)CCC2 72403984 HYHPAMSMAKNHMK-QGZVFWFLSA-N 311.385 1.763 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NC1CCCC1 69589712 ZONXPYITJFNKCO-HOTGVXAUSA-N 307.438 1.521 0 40 DDAB COCCNC(=O)NCc1cccc(NC(=O)NC2CC2)c1 69664369 TYAGSEPGVZZCOO-UHFFFAOYSA-N 306.366 1.416 0 40 DDAB CC1CCN(C[C@@H](O)CN2CCC[C@@H]2Cn2cccn2)CC1 69631982 KFHDYWIXQGXDGE-IAGOWNOFSA-N 306.454 1.440 0 40 DDAB CC(C)c1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c(O)c1 69842750 YWKWOYIKTCJWSB-GFCCVEGCSA-N 311.403 1.823 0 40 DDAB Cc1nc2n(n1)C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)CC2 69894968 NAIKSBPXWLGZHM-GDBMZVCRSA-N 313.405 1.320 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCS(=O)(=O)C2)cc1 96996338 YLCYUPXZYWTMCC-AWEZNQCLSA-N 305.403 1.662 0 40 DDAB CN(Cc1cncs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 97032772 MXEQTOLZSQLPJT-CQSZACIVSA-N 315.398 1.903 0 40 DDAB CC(=O)NCCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 97022535 LYPMPDRMCNGDME-UHFFFAOYSA-N 311.292 1.758 0 40 DDAB CCc1nn(C)cc1CN1CCN(C(=O)c2cc(C)no2)CC1 97033861 XJSYHEKXFYOYEY-UHFFFAOYSA-N 317.393 1.237 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)no1 24717025 UKCDMPRTVHIRKK-NSHDSACASA-N 322.409 1.463 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)Nc1ncc(Br)cn1 95975076 SGNANSUSVWIWSC-LLVKDONJSA-N 321.178 1.748 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N(C)C[C@H](C)C(=O)O)C2 95970479 URGQRUQGXJMFJA-CMPLNLGQSA-N 307.346 1.425 0 40 DDAB CCN1CCC[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 75125871 RDOYIKOCNPJNPV-GFCCVEGCSA-N 315.373 1.849 0 40 DDAB O=C(Cc1cccc(F)c1)N[C@H]1CCCN(c2cccnn2)C1 89775019 QMVFURDDLCJHQJ-HNNXBMFYSA-N 314.364 1.943 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCNC(=O)C1 89941191 KUXXMTVYVIDGHY-QWHCGFSZSA-N 301.390 1.380 0 40 DDAB CCCn1nnnc1CN1CCC[C@H]1c1noc(C(C)C)n1 75581744 PZEDRHQLAWTYFB-NSHDSACASA-N 305.386 1.927 0 40 DDAB COCC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 76093858 KSRZJKUWIYWNCC-UHFFFAOYSA-N 304.390 1.230 0 40 DDAB CO[C@H](C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045085 KXAQDKDSCYNDCY-KGLIPLIRSA-N 316.361 1.401 0 40 DDAB O=C(CN1C(=O)S/C(=C/c2ccoc2)C1=O)N1CCOCC1 409137155 UFMDLLLNEFAYOE-YRNVUSSQSA-N 322.342 1.175 0 40 DDAB Cc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C(=O)O)s1 521742877 KTMQGXWLKIGPFS-UHFFFAOYSA-N 315.376 1.597 0 40 DDAB C/C=C/c1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1 32758548 SFFPSBPGLGJTND-QDLOVBKTSA-N 321.417 1.925 0 40 DDAB NCCN[C@@H](CS(=O)(=O)c1ccccc1)c1ccccc1 73633133 GHUKAGGAUSLWNS-INIZCTEOSA-N 304.415 1.750 0 40 DDAB COCCOc1ccc(-c2noc([C@@H]3CCCN3C)n2)cn1 35425408 GFRUOFZJCCHMIO-LBPRGKRZSA-N 304.350 1.924 0 40 DDAB biogenic,in-vitro Cn1c(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cc2cc(F)ccc21 72379725 OLRAEFWMYQILPD-MRXNPFEDSA-N 319.336 1.034 0 40 DDAB O=C1NC2(CCN(C(=O)c3ccncc3)CC2)Nc2ccccc21 72347613 XTYQPDRTRFPOIM-UHFFFAOYSA-N 322.368 1.869 0 40 DDAB CO[C@@H](/C=C/c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)O 31156264 FHXSKAHQWKCJSP-UFFNRZRYSA-N 306.270 1.625 0 40 DDAB biogenic,in-vitro COC(=O)COc1cc(I)ccc1OC 72220717 OKCMXPLNVODRPH-UHFFFAOYSA-N 322.098 1.852 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 72383444 LPJYPEGKTXHXHU-ZDUSSCGKSA-N 312.377 1.811 0 40 DDAB CC(C)N(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)N)CC1 79409801 BNOMVUNZSHBWQT-LBPRGKRZSA-N 313.442 1.970 0 40 DDAB COc1ccc(CCNC(=O)C2CCN(C)CC2)cc1OC 74707378 OMBCHXPTQVHQOM-UHFFFAOYSA-N 306.406 1.704 0 40 DDAB CC1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 71553440 JFHDSXJRZHECBD-LLVKDONJSA-N 324.402 1.827 0 40 DDAB C[C@]12CN(Cc3ccccn3)C[C@H]1NC(=O)c1ccccc1C2=O 72395017 HAUCPODUSMIVPD-APWZRJJASA-N 321.380 1.898 0 40 DDAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)O)ncn3n2)cc1 40478805 WNFBRXDIERRCAZ-UHFFFAOYSA-N 314.301 1.041 0 40 DDAB CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 223158100 HJQIBYINLHSZLH-ZDUSSCGKSA-N 312.391 1.196 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1 75157291 VULVBVCDOXGAGY-LLVKDONJSA-N 309.840 1.732 0 40 DDAB CCN1CCN(C(=O)CCn2ncc3ccc(C)cc32)CC1 40759103 LIVPVKFXNNLXCP-UHFFFAOYSA-N 300.406 1.899 0 40 DDAB CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](CO)C2)c(OC)c1 529188900 OFEGVFJSQLBJDR-LLVKDONJSA-N 321.377 1.291 0 40 DDAB CN1CC[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)C1=O 84160400 ROVTYGCECGOMGJ-JTQLQIEISA-N 307.316 1.591 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCn1cccn1)O2 40779462 IXAZMIISPVFMSY-INIZCTEOSA-N 314.345 1.098 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)c2coc(C)n2)c2ccccc2O1 225890482 LXXBZOSEEGYHKS-ZDUSSCGKSA-N 302.286 1.564 0 40 DDAB C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O)[C@@H]1C[C@@H]2CC[C@@H]1C2 225634122 OJVWXXOEBPCHRM-MCLUFMBGSA-N 307.390 1.806 0 40 DDAB Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225191070 OCPDDOMMXOVTBG-ZDUSSCGKSA-N 312.435 1.922 0 40 DDAB CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@@]3(CC=CCC3)C2)C1 195530299 MSANXAXMBVGQFO-WMZOPIPTSA-N 320.481 1.764 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 96051957 OFWFOQSIWLEVCX-BBRMVZONSA-N 324.446 1.557 0 40 DDAB CCN(C)[C@H]1COC2(CCN(C(=O)c3cscn3)CC2)C1 96220798 LIKMQIGFVGBUHG-GFCCVEGCSA-N 309.435 1.859 0 40 DDAB COCCNc1ccccc1CNC(=O)c1cnc(C)cn1 96461274 FLLVFTDSOVSSDO-UHFFFAOYSA-N 300.362 1.773 0 40 DDAB O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc[nH]n1 96473297 FKMQBYNHYQAKTM-UHFFFAOYSA-N 300.240 1.632 0 40 DDAB Cc1ccoc1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96207089 QYVUCLLZXZENKH-LSDHHAIUSA-N 304.390 1.771 0 40 DDAB c1coc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)c1 96052053 YRMDAMPUCRGRNC-WBVHZDCISA-N 317.389 1.784 0 40 DDAB O=C(NCCc1cc2ccccc2o1)N[C@@H]1CCCCNC1=O 96417683 AJQSQIBKJSKKCK-CQSZACIVSA-N 315.373 1.943 0 40 DDAB COC[C@H](C)S(=O)(=O)N(C)Cc1nc2ccccc2n1C 96428267 WSGXKUDFXSBKHM-NSHDSACASA-N 311.407 1.370 0 40 DDAB Cc1nn(C)c2ncc(CNc3cc(C(=O)N(C)C)ccn3)cc12 97102103 ZXSZZNDWTYVOFE-UHFFFAOYSA-N 324.388 1.986 0 40 DDAB CCc1cc(N[C@H]2CCc3nnc(CC)n3C2)n2ncnc2n1 97199277 PALKEDCLDJRLGB-NSHDSACASA-N 312.381 1.268 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1ccsc1 96486694 VVKHFHGDHXLUOT-AAEUAGOBSA-N 309.435 1.292 0 40 DDAB COc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cn1 96118797 LELYOHKFHUVYKB-LLVKDONJSA-N 324.340 2.000 0 40 DDAB O=S(=O)(N[C@@H]1CCn2nccc2C1)c1ccc(Cl)s1 244975271 IIZUUZZAKWXAAS-MRVPVSSYSA-N 317.823 1.891 0 40 DDAB CCN(CCNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1)C(C)C 245281316 AQUFANKSBAHJOU-BBWFWOEESA-N 322.497 1.842 0 40 DDAB CC(C)C(=O)N[C@@H]1CCCN([C@H]2Cc3ccccc3[C@H]2O)C1 245338646 NNIHMVMLMDBNMA-HYVNUMGLSA-N 302.418 1.881 0 40 DDAB O=C(c1cnc(O)nc1O)N1CCC[C@H](Cc2ccccn2)C1 257251927 JSWIRRAKIAHTDA-LLVKDONJSA-N 314.345 1.378 0 40 DDAB O=C1CCCN1CCC(=O)N1CCC[C@@H](c2ccncn2)C1 257309494 UBEANFLJHZXCHE-CYBMUJFWSA-N 302.378 1.195 0 40 DDAB Nc1nccnc1[C@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 257216346 CUDTXONSJJHZNZ-PSKZRQQASA-N 310.357 1.672 0 40 DDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 257259385 KYDJMANLZYEKSZ-GFCCVEGCSA-N 314.393 1.361 0 40 DDAB O[C@H]1CCN(Cc2c[nH]cn2)CC[C@@H]1Oc1ccc(F)cc1 257340555 ZGRJSZIICCOAHU-HOTGVXAUSA-N 305.353 1.953 0 40 DDAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)n1 257234311 GSYXWSAILZPYGR-GFCCVEGCSA-N 310.361 1.401 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 257342963 ZQTVZVUXPSOLGN-MRXNPFEDSA-N 316.401 1.977 0 40 DDAB COc1ncccc1CNC(=O)N1CCC[C@H](N2CCCC2)C1 65414309 GSWLEMOWGIRZPT-HNNXBMFYSA-N 318.421 1.860 0 40 DDAB COc1cccc(SCC(=O)N(C)CC(=O)NC2CC2)c1 29029830 FBNZODNNVZZEKA-UHFFFAOYSA-N 308.403 1.524 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1 68757655 WLJYTOIYLPAORG-SMDDNHRTSA-N 306.362 1.569 0 40 DDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCS(=O)(=O)C1 69634673 IAUVJDBPSQEHLM-WCBMZHEXSA-N 313.341 1.611 0 40 DDAB COC(=O)[C@@H]1CC(=O)C[C@H](NC(=O)OCc2ccccc2)C1 953033991 YOGKHNLHIMDXJK-QWHCGFSZSA-N 305.330 1.824 0 40 DDAB O=C([C@@H]1CCCCO1)N1CCC(Oc2ncc(F)cn2)CC1 1776009665 MLJZTJBMIWPEPX-ZDUSSCGKSA-N 309.341 1.555 0 40 DDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc[nH]c2=O)C1 54224515 INGNPJLRXJHBNQ-HIFRSBDPSA-N 311.385 1.940 0 40 DDAB O=S(=O)(NCCCn1cncn1)c1ccc(F)c(Cl)c1 40515899 ZNOGPVFABCGCJQ-UHFFFAOYSA-N 318.761 1.439 0 40 DDAB CC[C@@H]1CC[C@@H](C(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)O1 548660493 IKMNHCXFZLVXON-HZSPNIEDSA-N 323.393 1.920 0 40 DDAB CN(OCc1ccccc1)[C@H]1CCN(c2cnn(C)c2)C1=O 90565736 ZIECEKJYRSFPGE-HNNXBMFYSA-N 300.362 1.589 0 40 DDAB Cn1ccnc1CN1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549166766 IBXZDFCZJLSJMK-UHFFFAOYSA-N 312.373 1.339 0 40 DDAB C[C@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)NC(=O)CC2=O 118893438 CTLXDJBBKZKOHH-YVEFUNNKSA-N 316.357 1.635 0 40 DDAB Cn1cccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1=O 11899821 FFLYRQOGIUPEJD-UHFFFAOYSA-N 300.333 1.986 0 40 DDAB CC(C)(C)C1=NN(CC(N)=O)C(=O)c2cc3ccccc3n2C1 12113613 BYFHVMMQIHNHCR-UHFFFAOYSA-N 312.373 1.985 0 40 DDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccs1 16284089 FEIZMTGJCWDJHM-NSHDSACASA-N 319.338 1.877 0 40 DDAB O=S(=O)(Cc1ccc(Cl)cc1)NCCc1cnccn1 19334780 SENKJXMXXMDZCE-UHFFFAOYSA-N 311.794 1.792 0 40 DDAB O=C(c1cnco1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643586043 SQPMKLZAURSVEI-FRFSOERESA-N 314.341 1.434 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 12115999 GOKLBFMJHUNTPK-UHFFFAOYSA-N 315.377 1.297 0 40 DDAB O=C(NCc1ccnc(N2CCCC2)c1)c1cc2c(nn1)CCC2 1888860070 YBSKSVOPBJHOGF-UHFFFAOYSA-N 323.400 1.891 0 40 DDAB COCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839711 BFVWQRJRFCVAMQ-KRWDZBQOSA-N 318.373 1.057 0 40 DDAB Cn1ccc(CN2CCC(Oc3nccs3)CC2)cc1=O 2086939624 LRNPDTPQCNUQAH-UHFFFAOYSA-N 305.403 1.885 0 40 DDAB Cn1cccc(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)c1=O 1565550191 TZIANSSYSWSZIT-HOTGVXAUSA-N 312.369 1.203 0 40 DDAB O=C(N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21)C1(F)CC1 1565549631 WYZBOLRVWKWNAF-ILXRZTDVSA-N 320.364 1.859 0 40 DDAB CC(C)NC(=O)C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12 1565551174 KIBQEARYWHPHID-ZACQAIPSSA-N 317.433 1.833 0 40 DDAB CCOCc1cncc2c1CCN(C(=O)CN(C)C(C)C)C2 1565551910 MCBIJCBORHDLGG-UHFFFAOYSA-N 305.422 1.843 0 40 DDAB Cc1c(C(=O)C(=O)NCCCN(C)C)c2ccccc2n1C 4062495 CCBOMWFYOIOXII-UHFFFAOYSA-N 301.390 1.737 0 40 DDAB CCc1nccn1CC1CN(C(=O)c2cccnc2OC)C1 1848991576 VDIZMEHNNDPVPO-UHFFFAOYSA-N 300.362 1.621 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)N1CC(Cn2ccnn2)C1 1775967749 BSCPMQBNYLPILX-UHFFFAOYSA-N 301.306 1.171 0 40 DDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc2c(c1)CCC2 48991479 KIRODYFHLSWSKQ-UHFFFAOYSA-N 321.358 1.486 0 40 DDAB O=C1NCCN1C(=O)NC[C@@](O)(c1ccco1)c1cccs1 225588191 QENQEVUVAUTZTL-CQSZACIVSA-N 321.358 1.312 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(n2ccnn2)C1 364411620 CKTSWQINXBRGME-UHFFFAOYSA-N 318.402 1.403 0 40 DDAB CCN=c1cc(C)nc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)[nH]1 2298183900 YJWFQMHLEKXLFK-CABCVRRESA-N 319.453 1.064 0 40 DDAB Cn1cccc1[C@@H](O)CNC(=O)c1ccc2nsnc2c1 75155057 JQRYNMXCDQVBMX-ZDUSSCGKSA-N 302.359 1.493 0 40 DDAB OCCN1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 40465776 PTIFPCKHBBZZRF-UHFFFAOYSA-N 312.797 1.221 0 40 DDAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)no1 40539931 FXMZVELEYZYSGS-VIFPVBQESA-N 312.322 1.923 0 40 DDAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1cccnc1 20898747 HVHJWAUXGRLRGG-UHFFFAOYSA-N 316.386 1.524 0 40 DDAB CCCOc1ccc(OCC(=O)N2CC[C@H](C(N)=O)C2)cc1 41128345 YELGELSHDNLDRV-LBPRGKRZSA-N 306.362 1.188 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1 32913877 HMDUFNHEGDWMNR-OAHLLOKOSA-N 320.433 1.819 0 40 DDAB CC[C@H](NS(=O)(=O)N1CCOCC1)c1ccccc1OC 42167470 NRAWVARHOCMJGN-ZDUSSCGKSA-N 314.407 1.313 0 40 DDAB C[C@]1(NC(=O)c2ccc(-n3cccn3)cc2)CCS(=O)(=O)C1 22741104 DYFDMMNNSBWXIO-HNNXBMFYSA-N 319.386 1.179 0 40 DDAB COC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(Br)o1 3175796 QZVFWLMTTWOVSO-PTYLAXBQSA-N 302.124 1.733 0 40 DDAB Cc1cc(NC(=O)CCS(C)(=O)=O)ncc1Br 79022974 XCABNCGKAHRVAN-UHFFFAOYSA-N 321.196 1.526 0 40 DDAB O=C1CN(C(=O)CCCc2nc(-c3ccccc3)no2)CCN1 23420829 RGINUQDFLBVCNF-UHFFFAOYSA-N 314.345 1.018 0 40 DDAB CCOc1ccc(NC(=O)C[C@H]2OC[C@H]3CCCN3C2=O)cc1 2759276 GWJBZHYHYLALQN-UKRRQHHQSA-N 318.373 1.804 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 24433518 KTBBSUMSBFWSQA-LBPRGKRZSA-N 313.375 1.321 0 40 DDAB Nc1nccnc1C(=O)N1CCN(c2ccccc2Cl)CC1 12542663 RLOXYDWMPXTGAM-UHFFFAOYSA-N 317.780 1.675 0 40 DDAB Cc1cc(NC(=S)NCCN(C)C)ccc1N1CCCC1=O 10951350 WZPSQCQZJLTSHU-UHFFFAOYSA-N 320.462 1.970 0 40 DDAB C[C@H]1CN(C(=S)c2cn(-c3ccccc3O)nn2)C[C@H](C)O1 1417907 SWLZYTFWYHNITN-QWRGUYRKSA-N 318.402 1.758 0 40 DDAB CCc1sc(C(=O)NCC(=O)Nc2cnn(C)c2)cc1C 25309701 FRFHBUDHYYOTMS-UHFFFAOYSA-N 306.391 1.721 0 40 DDAB Cc1csc(N2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)n1 56362574 BTJDCVAYRVLIEN-CYBMUJFWSA-N 319.434 1.948 0 40 DDAB CN(C[C@@H]1CCCOC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C 107654061 PEGPXDWUQKKNOY-NSHDSACASA-N 303.362 1.365 0 40 DDAB NC[C@@]1(N2CCOCC2)[C@@H]2CCC[C@@]21CNc1ccccc1 22860028 BXXYPDNFTDDLKA-KZNAEPCWSA-N 301.434 1.928 0 40 DDAB CN(C)c1ncc(CNC(=O)c2cccc3cnccc23)n1C 73093848 BSQCQCRXCDCJBC-UHFFFAOYSA-N 309.373 1.964 0 40 DDAB O=C(O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 35680303 YWBMZJUGJVMCCE-UHFFFAOYSA-N 317.172 1.836 0 40 DDAB CS(=O)(=O)N1CCC[C@H](Nc2nccc(C(F)(F)F)n2)C1 58148713 MDWQYRPFSMKWOF-QMMMGPOBSA-N 324.328 1.331 0 40 DDAB CCCNC(=O)NC(C)(C)C(=O)NC[C@H]1Cc2ccccc2O1 58101604 DHTSYCKLQFHCQM-CYBMUJFWSA-N 319.405 1.594 0 40 DDAB CN(CCCN1C(=O)NC(C)(C)C1=O)CCOc1ccccc1 58224913 VBYWLMQNZLGGRC-UHFFFAOYSA-N 319.405 1.718 0 40 DDAB C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)[C@H]1CCCO1 44910422 AACVBKLRHFGVAK-DZGCQCFKSA-N 304.394 1.481 0 40 DDAB Cc1cc(C)n2nc(C(=O)N[C@H]3CCN4CCCC[C@H]34)nc2n1 44943861 YIRKHCFELDBOEC-QWHCGFSZSA-N 314.393 1.098 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)c1cncc(-n2cccn2)n1 44945231 RANRMAYWIHWSMR-CYBMUJFWSA-N 323.356 1.939 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCC[C@H](O)c2ccccc2)C1 95433290 BJTPJFIZKIFHQT-ZFWWWQNUSA-N 312.435 1.676 0 40 DDAB Cc1cnc2c(S(=O)(=O)N(CC(N)=O)C(C)C)cccc2c1 12730025 ITMPMCNXBXOUPZ-UHFFFAOYSA-N 321.402 1.428 0 40 DDAB CN(C)c1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cn1 58394060 XTVSRATXEZEHAN-CQSZACIVSA-N 315.377 1.775 0 40 DDAB COCCN([C@@H]1CCSC1)S(=O)(=O)N1CCCC[C@H]1C 58345358 QWASRODAFNNWNR-CHWSQXEVSA-N 322.496 1.560 0 40 DDAB Cc1c(C)n(C[C@@H](O)CN2C(=O)CNC2=O)c2ccc(F)cc12 28297189 DQCUAGVDDSAEJE-GFCCVEGCSA-N 319.336 1.310 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 3348407 IOXYSXUCRACOFJ-JTQLQIEISA-N 315.329 1.626 0 40 DDAB O=c1n(CCOc2ccccc2F)nnn1-c1cccs1 10812805 ZZBJAVHQRQZQSB-UHFFFAOYSA-N 306.322 1.709 0 40 DDAB CS(=O)(=O)CCNCc1ccc(OCc2ccncc2)cc1 62423100 WHCREBHGXKCYAZ-UHFFFAOYSA-N 320.414 1.795 0 40 DDAB Cn1nc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1=O 12851401 JJYONYIUTMMNPO-UHFFFAOYSA-N 312.329 1.159 0 40 DDAB CC[C@@H]1CN(CN2C(=O)NC3(CCCCCC3)C2=O)CCO1 12878342 OJLSJSAFAVMWAL-CYBMUJFWSA-N 309.410 1.700 0 40 DDAB CCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1=O 11782020 ARDLZYLIBXPAOF-UHFFFAOYSA-N 314.345 1.864 0 40 DDAB O=C([C@@H]1CCOC1)N1CCC2(CCCN(CC3CC3)C2=O)CC1 108536157 VTTAUSMOKSNXHO-OAHLLOKOSA-N 320.433 1.664 0 40 DDAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 23625392 XKYNXIHPDDJQQT-SECBINFHSA-N 306.347 1.427 0 40 DDAB C[C@H](OC[C@H](O)CNC(=O)Nc1nncs1)c1ccccc1 46871270 IDFFXMGZICGFMT-CMPLNLGQSA-N 322.390 1.798 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(F)(F)F)C2=O 3550880 AJAHGIVMAPHZOZ-UFBFGSQYSA-N 321.299 1.166 0 40 DDAB O=C(CCn1cncn1)NC1CCN(Cc2ccccc2)CC1 25527773 AZMUQOVLGLBJQW-UHFFFAOYSA-N 313.405 1.449 0 40 DDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cccnc1 12980098 VHJOKZTUPQOVID-AWEZNQCLSA-N 317.414 1.946 0 40 DDAB Cc1ccc(C(=O)NCCNS(=O)(=O)C(C)C)cc1F 48904255 ISQDXBRLMVUVJJ-UHFFFAOYSA-N 302.371 1.192 0 40 DDAB Cc1cc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)n(-c2ccccn2)n1 71281494 MDIOIPVYVXCQTM-CHWSQXEVSA-N 314.345 1.871 0 40 DDAB CNC(=O)c1ccc(CN(C)CCN2C[C@@H]3CC[C@H](C2)O3)cc1 95462342 QSQCZZIQGHZVFJ-CALCHBBNSA-N 317.433 1.341 0 40 DDAB CC(=O)N[C@@H](C(=O)NCc1nc2ccccc2n1C)C(C)C 39985009 MQNCUINACUQYTO-OAHLLOKOSA-N 302.378 1.350 0 40 DDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCSc2ccccc21 9315599 FYKWEXFHWPSPSI-WDEREUQCSA-N 319.386 1.328 0 40 DDAB CCc1nc2ccc(C(=O)NS(C)(=O)=O)cc2nc1CC 65440672 DNDVYLMNPUPWQW-UHFFFAOYSA-N 307.375 1.444 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1 65523373 OYGKJVYSHOSOGZ-JTQLQIEISA-N 311.411 1.794 0 40 DDAB Cc1ccc2nc(COC(=O)c3cnc(C)cn3)cc(=O)n2c1 5427059 UCKDDLQZYIWESK-UHFFFAOYSA-N 310.313 1.458 0 40 DDAB CCCn1nc(C(=O)O[C@H](C(N)=O)c2ccccc2)ccc1=O 14774527 PVSUCZGEPTVCFX-AWEZNQCLSA-N 315.329 1.037 0 40 DDAB COC(=O)COc1ccccc1/C=C1/SC(=O)N(C)C1=O 5879193 CFKPBZZGDKYUKM-YRNVUSSQSA-N 307.327 1.905 0 40 DDAB O=S(=O)(c1ccc(Br)c(F)c1)N1CCOCC1 96427606 QTLNWFHOCXVGJI-UHFFFAOYSA-N 324.171 1.609 0 40 DDAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1-n1cnnn1 67512133 MZWDWNDGMGBVPN-HUUCEWRRSA-N 305.341 1.948 0 40 DDAB O=C(CN1CC[C@@H](Oc2ccncc2)C1)NC1CCCCC1 89884980 CVRVBIULBJUUAU-MRXNPFEDSA-N 303.406 1.984 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@@H]12 16029140 TYOLRTYWMXRCLK-NDAPFBIUSA-N 314.389 1.709 0 40 DDAB O=C(NCc1cccc(Cn2cccn2)c1)c1ccc(=O)[nH]c1 71820094 MYYPLCYBBMICEF-UHFFFAOYSA-N 308.341 1.550 0 40 DDAB O=S1(=O)C[C@@H]2SC(=S)N(c3ccc(O)cc3)[C@@H]2C1 7995080 ANQFXMUDKCMKSE-ZJUUUORDSA-N 301.414 1.396 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)c1 71869746 AKVPTCSGBVGLAK-AWEZNQCLSA-N 324.388 1.627 0 40 DDAB Cn1cc(CN2CCCN(C(=O)c3cscn3)CC2)cn1 71864712 KRHGEBYIQSZEKU-UHFFFAOYSA-N 305.407 1.225 0 40 DDAB Cc1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 71847722 VSNLVKHLXVJTOK-HNNXBMFYSA-N 309.369 1.921 0 40 DDAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCNC1=O 8257628 CWCLBNWCGAPDSF-QMMMGPOBSA-N 321.406 1.523 0 40 DDAB COc1cccc(S(=O)(=O)CCNCCn2cc(C)cn2)c1 70018328 GMQPGOOBVGLTJO-UHFFFAOYSA-N 323.418 1.264 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(CCc3ccccn3)CCO2)n1 69562744 ULFNSRUKLBQJJY-KRWDZBQOSA-N 300.406 1.838 0 40 DDAB C[C@@H]1CCCCN1C(=O)CSc1nnnn1CC(F)(F)F 69560438 CJUOEFVKNZVMHJ-MRVPVSSYSA-N 323.344 1.729 0 40 DDAB COc1ccnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 69698039 QVYSMYZIGGNUDW-ZDUSSCGKSA-N 302.382 1.610 0 40 DDAB CC(=O)Nc1ccc(F)c(C(=O)Nc2nc3ncccn3n2)c1 69705347 IRSZHXXXOZALHK-UHFFFAOYSA-N 314.280 1.474 0 40 DDAB O=C(CN[C@H]1CCc2ncnn2C1)N1CCCc2ccccc21 69700103 TWZRACXMPHVBCW-AWEZNQCLSA-N 311.389 1.162 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2C 69896287 RNQSKMPVYMUNNP-SNVBAGLBSA-N 318.377 1.242 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 8734070 BTWZENHELVUGOZ-NSHDSACASA-N 309.753 1.999 0 40 DDAB COC(=O)CCNC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C 8768119 BEKORRGWRMWWHF-AWEZNQCLSA-N 319.361 1.742 0 40 DDAB O=C1CN(C(=O)c2ccc(Cl)cc2O)[C@@H]2CCCC[C@H]2N1 92600539 FATMEIQIPNGORR-VXGBXAGGSA-N 308.765 1.929 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@H](C)OC2=O)c1C 9835363 UGEPDDYVBSXORE-XVKPBYJWSA-N 309.318 1.669 0 40 DDAB Cc1cc(C)n(-c2ccc(NCC(C)(C)S(C)(=O)=O)nn2)n1 84105190 UMIWRWNTDMSBJZ-UHFFFAOYSA-N 323.422 1.514 0 40 DDAB CCN1CCO[C@H](CNCc2ccc(-n3ccnc3)cc2)C1 72268801 RYRXLWOYLKLJNN-QGZVFWFLSA-N 300.406 1.683 0 40 DDAB Cc1ccc(N2CCCN(Cc3noc(C4CC4)n3)CC2)nn1 72276652 ODNZFXLJMMLMRI-UHFFFAOYSA-N 314.393 1.758 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)c1cnc3ccccc3n1)CC2 97198669 FLGRHTXEBTYNEE-LLVKDONJSA-N 322.372 1.529 0 40 DDAB O=C(CCNC(=O)c1cc(Cl)c[nH]1)NCc1ccccn1 97109041 RSCFFCXVHHMQNW-UHFFFAOYSA-N 306.753 1.499 0 40 DDAB Nc1cccc(CNS(=O)(=O)C2Cc3ccccc3C2)c1 97147695 JOUXCQJELMFVMW-UHFFFAOYSA-N 302.399 1.856 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)N1CCN2CCCC[C@@H]2C1 89505814 PPVJQYOMPHGDNH-OAHLLOKOSA-N 319.453 1.459 0 40 DDAB Cc1noc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 75119714 RECFTNAAWHDBJI-OAHLLOKOSA-N 302.378 1.229 0 40 DDAB Cc1cccc(-c2ccc(C(=O)NCc3nnc(C)o3)c(=O)[nH]2)c1 75120333 ATIFWRGTUGIUDN-UHFFFAOYSA-N 324.340 1.972 0 40 DDAB COc1ncnc2c1CN(C[C@H](O)c1ccc(F)cc1)CC2 65474993 SKOKMMYAHQJHMQ-HNNXBMFYSA-N 303.337 1.716 0 40 DDAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 409285492 WTUKOSVIUWMFOL-XJIUQZFPSA-N 315.325 1.537 0 40 DDAB O=C(O)CCCS(=O)(=O)N1CCCc2cc(F)ccc21 518972291 YTPBOLMBVFBBRR-UHFFFAOYSA-N 301.339 1.773 0 40 DDAB CN1C(=O)CO[C@H](C(=O)NC2CC2)[C@H]1c1ccc(Cl)cc1 72241338 RISMEKIPQKGBCI-KGLIPLIRSA-N 308.765 1.517 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CCCC2)c1C 32716728 BFHPWWKAEMQSBL-UHFFFAOYSA-N 305.378 1.576 0 40 DDAB Cc1ccn(-c2ccc(N3CCC[C@H]([C@@H]4CCNC4)C3)nn2)n1 561267812 YQQIBOIZPDXKOM-CABCVRRESA-N 312.421 1.797 0 40 DDAB CCN(CCO)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79391675 QHSQNSZEIQRRNW-INIZCTEOSA-N 306.406 1.959 0 40 DDAB COC(=O)[C@H](N[C@@H](C)C(N)=O)c1cccc(Cl)c1Cl 180609633 VWNYBPIIZBASQZ-QUBYGPBYSA-N 305.161 1.671 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCCC3)cc2C1 40647373 NGWHEXXTURLUED-UHFFFAOYSA-N 322.430 1.766 0 40 DDAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc2[nH]cnc2c1 44059487 OFYZOGCBGGNQCM-UHFFFAOYSA-N 319.324 1.729 0 40 DDAB Cc1nc(CN2CCC[C@H](NCc3nc(C)c(C)o3)C2)no1 69843235 CFRUXXBQKRJMKW-ZDUSSCGKSA-N 305.382 1.737 0 40 DDAB CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCOCC1 226276372 ZRYAWGBTNCNMRW-UHFFFAOYSA-N 302.334 1.281 0 40 DDAB Cc1occc1C(=O)N1CC2(CCN(Cc3cnn(C)c3)C2)C1 96202663 QUUMBEVBOIDWSP-UHFFFAOYSA-N 314.389 1.670 0 40 DDAB c1cncc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1 96188547 YLTQSVCAQRBLOI-INIZCTEOSA-N 308.389 1.807 0 40 DDAB CN1CCN(S(=O)(=O)c2cccs2)Cc2cccnc21 96198792 JZZRNSGGUPIJCL-UHFFFAOYSA-N 309.416 1.784 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(-c2cccnc2)c1 93441354 NNPOFJJMYCQPBV-IRXDYDNUSA-N 312.369 1.857 0 40 DDAB CN1CCN(S(=O)(=O)c2ccccc2)Cc2cccnc21 96198793 YLBJXQKJFWEWNX-UHFFFAOYSA-N 303.387 1.722 0 40 DDAB C[C@H]1CCCc2nc(S(=O)(=O)Nc3ccc(O)nn3)cn21 333229337 XXHCHISKRSKVRH-QMMMGPOBSA-N 309.351 1.077 0 40 DDAB Cc1ccc(OC[C@@H]2CO[C@@H]3CN(C4CCOCC4)C[C@H]23)cn1 96216056 IIFUUQSOCRNVLY-ZTFGCOKTSA-N 318.417 1.895 0 40 DDAB COC[C@]1(N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242400339 AUWZGLJRCSXNJT-ZACQAIPSSA-N 317.410 1.970 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](N)[C@H]1c1ccc(Br)cc1 242701959 WUZBETBPAMOOCP-VWYCJHECSA-N 304.209 1.677 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)Cc1cccc(F)c1)C2 248090509 CCZUBPFDGKWPIG-HNNXBMFYSA-N 320.408 1.937 0 40 DDAB COc1ncccc1C(=O)N1CCO[C@H](c2cccc(N)n2)C1 257272915 NEJNUOLGDYFTQB-ZDUSSCGKSA-N 314.345 1.281 0 40 DDAB CC(=O)N1CCC(c2cc(N3CCOC3=O)nc(C)n2)CC1 257225812 FHXNNQXCSSQGIV-UHFFFAOYSA-N 304.350 1.468 0 40 DDAB Cn1nccc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257340518 ZGMXMVPVDNZBJV-ZDUSSCGKSA-N 301.350 1.382 0 40 DDAB Cc1ccc(CC(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)s1 257214120 CKPCKVCDMXJDAY-KBPBESRZSA-N 322.430 1.447 0 40 DDAB c1cncc(OC[C@H]2CCOC23CN(C2CCOCC2)C3)c1 253596271 PGYZBHPSLJTIFY-CQSZACIVSA-N 304.390 1.730 0 40 DDAB O=C(CCn1ccnc1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257337022 YRARNRIABKACKV-BFYDXBDKSA-N 320.437 1.157 0 40 DDAB CC(=O)N1CCC(Cc2ccnc(N3CCOC3=O)c2)CC1 257248476 JDVDBIXNPQLXFR-UHFFFAOYSA-N 303.362 1.839 0 40 DDAB CCCn1ccnc1CN1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 257245030 INVPLQQDSYBQHF-GJZGRUSLSA-N 322.453 1.391 0 40 DDAB CCO[C@H]1C[C@@](NC(=O)c2ccnc(O)c2)(C(=O)O)C1(C)C 262781609 JDLFBCFQQCFPJO-ZUZCIYMTSA-N 308.334 1.175 0 40 DDAB O=C(CC1CC1)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575406055 XEOSWMCAWMZOQJ-CQSZACIVSA-N 318.377 1.121 0 40 DDAB O[C@H]1CCN(C2CCC2)C[C@]1(O)COc1cc(F)cc(F)c1 585284613 YTYKLZSNRJHTAL-HOTGVXAUSA-N 313.344 1.694 0 40 DDAB CN1Cc2ccnn2CC[C@@H]1CNS(=O)(=O)c1ccccc1 585097406 LGNUCRKZIYLIJF-CYBMUJFWSA-N 320.418 1.066 0 40 DDAB C[C@H](SC[C@@H](O)c1ccccc1)C(=O)NC(=O)NC1CC1 69454369 RJMDYXUEGOUUIW-GXFFZTMASA-N 308.403 1.830 0 40 DDAB CCN1N=C(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CCC1=O 72271455 GNBKTXOMTCIXOF-LLVKDONJSA-N 303.366 1.114 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCc2nn(C)c(=O)cc2C1 72302352 BHINRXIWOIGPBD-VIFPVBQESA-N 301.350 1.160 0 40 DDAB CC(=O)CSCC(=O)N1CCN(c2ccccc2F)CC1 72307052 FWVZBJCJWLIXRY-UHFFFAOYSA-N 310.394 1.797 0 40 DDAB CN1CCC[C@@H](c2cnc(C(=O)N3CCCOCC3)cn2)C1 72365731 WZMKSYMMXIEQMH-CYBMUJFWSA-N 304.394 1.148 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](O)C2)cc1OC 75156851 LLZHQXRRTRMANZ-CHWSQXEVSA-N 308.378 1.807 0 40 DDAB O=C1NC2(CCC2)C(=O)N1CCCOc1ccc2c(c1)OCO2 75581984 IWSMUUCCXZMNON-UHFFFAOYSA-N 318.329 1.659 0 40 DDAB CC(=O)NCCNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 77542522 KPCDYNRSSYSOQT-AWEZNQCLSA-N 307.369 1.536 0 40 DDAB Cc1nc(COC(=O)CCCNC(=O)c2ccsc2)no1 84281371 ANUABDXESMLMKI-UHFFFAOYSA-N 309.347 1.693 0 40 DDAB CSc1ncccc1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 96098073 FPUNJEUIVFOPFI-SECBINFHSA-N 300.405 1.063 0 40 DDAB C/C(=C\C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)C1CC1 98042634 IFGFKOIHXUPCMF-CSKARUKUSA-N 321.402 1.547 0 40 DDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 13264933 XXVMJOGHDTYNOG-UHFFFAOYSA-N 320.326 1.285 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)no1 16313905 PRFPLKRZEITNLQ-UHFFFAOYSA-N 306.274 1.349 0 40 DDAB Cc1ccc(=O)n(CC2(O)CCN(Cc3ccoc3)CC2)n1 19131374 YEOFBBYAZDUENY-UHFFFAOYSA-N 303.362 1.172 0 40 DDAB CC(=O)N1CCc2nnc([C@H]3CCCN3CC(C)C)n2CC1 19710718 GYASVXDHRXFFRH-CQSZACIVSA-N 305.426 1.476 0 40 DDAB CC1CCN(C(=O)CSc2nc(=O)[nH]c3c2CCC3)CC1 5154261 AAKRKVPECVPFLS-UHFFFAOYSA-N 307.419 1.609 0 40 DDAB Cc1cc(-c2noc(CNC(=O)NC[C@@H]3CCCO3)n2)no1 238878902 OTEQAOLQTKGVCO-VIFPVBQESA-N 307.310 1.011 0 40 DDAB CCOc1ccccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 16726460 SYABNKBAUFJLJG-UHFFFAOYSA-N 320.370 1.985 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(OC)cc1C)OC 575613506 SMBOOMXMVPSSDR-CQSZACIVSA-N 317.407 1.333 0 40 DDAB Cc1nc2ncnn2c(N2C[C@@H]3CCCC[C@@]3(CO)C2)c1C 1888853169 IPCURGKYZLGHPU-BBRMVZONSA-N 301.394 1.730 0 40 DDAB CC1(C)C[C@@H]1C(=O)N1CC[C@@H]2C[C@]21C(=O)NCc1cccnc1 2056224297 VNSVTUWRMMBNMI-HBUWYVDXSA-N 313.401 1.735 0 40 DDAB c1cnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1 2086968349 BSMCZPYUJQFJOX-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055718033 WUDDXDDOGUTTSP-LBPRGKRZSA-N 318.421 1.643 0 40 DDAB O=C(c1cccc(Br)c1)N1CC(Cn2ccnn2)C1 1775965719 BWWIBNMOOMGDDG-UHFFFAOYSA-N 321.178 1.813 0 40 DDAB CCc1nnsc1C(=O)NCc1cccc(NC(C)=O)c1 32359926 KLHTWILNJQIZKV-UHFFFAOYSA-N 304.375 1.989 0 40 DDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C)ccc1F 51135040 VRLPTNZKKRQKLY-LBPRGKRZSA-N 315.366 1.850 0 40 DDAB C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1ccccn1 40553402 ARQODBBEJJOFOG-LBPRGKRZSA-N 323.356 1.209 0 40 DDAB Cc1ccsc1C(=O)NCCCN(C(C)C)S(C)(=O)=O 40535269 IJVKQVOEMMIGJM-UHFFFAOYSA-N 318.464 1.846 0 40 DDAB COC[C@@H](C)NC(=O)CCCn1c(C)nc2ccccc2c1=O 40506118 RPDNEWRIRIIXAH-GFCCVEGCSA-N 317.389 1.636 0 40 DDAB CN1C(=O)c2ccc(C(=O)O[C@H]3CCCCC3=O)cc2C1=O 32946382 MKCHDMDYWQXCOS-ZDUSSCGKSA-N 301.298 1.581 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCCCC2)c1 21897317 GGMXBBWTJGINTG-UHFFFAOYSA-N 324.446 1.984 0 40 DDAB NC(=O)C1CCN(C(=O)CNc2ccc3ccccc3c2)CC1 22692877 NGXLEWXHURKRNN-UHFFFAOYSA-N 311.385 1.976 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n1 54121090 WCUQKLAVUOUBDS-NWDGAFQWSA-N 318.377 1.095 0 40 DDAB COc1ccc(C)cc1NC(=O)Cn1nnc(-c2ccncc2)n1 378574 OTSOBJLUVQYHGZ-UHFFFAOYSA-N 324.344 1.691 0 40 DDAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CN(C)S(C)(=O)=O)o1 47642744 MURSFRSEFYGNEL-CMPLNLGQSA-N 314.407 1.253 0 40 DDAB Cc1ccccc1-n1ccnc1SCCC(=O)NC(N)=O 54360133 MCOQCQBEHCDXCV-UHFFFAOYSA-N 304.375 1.858 0 40 DDAB CC[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)c1nc2ccccc2[nH]1 78966016 JBTXEZPMYBQUIV-DOMZBBRYSA-N 316.405 1.851 0 40 DDAB CN(CCN1C(=O)[C@H]2CCCN2C1=O)Cc1ccc(F)cc1 97045940 RCCJHIBQPAAVRS-CQSZACIVSA-N 305.353 1.684 0 40 DDAB Cc1nn(C[C@@H](O)COCc2ccco2)c(=O)c2ccccc12 42755756 GWJJAXAGRHQCCO-CYBMUJFWSA-N 314.341 1.876 0 40 DDAB O=C(C[C@@H](NCc1ccccc1)C(=O)O)Nc1cccc(O)c1 6889850 YMPXVEVLNBHLOP-OAHLLOKOSA-N 314.341 1.964 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nccn1-c1ccccc1 24928037 WNJDONNRMGUAEB-JTQLQIEISA-N 304.375 1.809 0 40 DDAB O=C(CN1C(=O)CSC1=O)N1CCN(c2ccccc2)CC1 1406213 FVPQLVLNZATRTJ-UHFFFAOYSA-N 319.386 1.031 0 40 DDAB NC(=O)NC(=O)CCSCCOCCOc1ccccc1 56260948 CDHACQLIUNCTNP-UHFFFAOYSA-N 312.391 1.400 0 40 DDAB Cn1nnnc1SCCC(=O)NC1(c2ccccc2)CCC1 56417144 NODLMDXHVJPJHG-UHFFFAOYSA-N 317.418 1.888 0 40 DDAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H](C(N)=O)C1 57046070 WGTGTWAQNSPKQU-KGLIPLIRSA-N 316.401 1.839 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101419674 LDZLOPKRBAMLDB-APYUEPQZSA-N 310.353 1.741 0 40 DDAB Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F 72269133 PTCAYTNLFNUEDV-HOTGVXAUSA-N 306.381 1.805 0 40 DDAB CN1C(=O)COc2cc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)ccc21 71287291 PJWXYJYIJOWZLJ-CHWSQXEVSA-N 318.329 1.337 0 40 DDAB Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1 58299359 YJMATBFUADTEPG-UHFFFAOYSA-N 300.337 1.765 0 40 DDAB C[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccc(F)c(F)c1 44916073 PTCPRTFNPJYSIT-MRVPVSSYSA-N 306.334 1.081 0 40 DDAB CC(=O)c1cc(Cl)ccc1OCc1cc(=O)n(C)c(=O)n1C 10613092 PCQADOLPMFGZJH-UHFFFAOYSA-N 322.748 1.519 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cnn(C)c2)cc1 97113260 VGWJBCRSYSUMDC-CYBMUJFWSA-N 307.419 1.681 0 40 DDAB O[C@@H](CNCc1c[nH]nc1-c1cccnc1)CN1CCCCC1 97160064 MWZSQZAKNHIIMU-INIZCTEOSA-N 315.421 1.408 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 3361622 NOLNLYMZHARKJM-ZDUSSCGKSA-N 303.362 1.900 0 40 DDAB CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCNCC1 45796212 ITXSCTRIEIFFCS-UHFFFAOYSA-N 305.403 1.455 0 40 DDAB Cc1ccc(C)c(OCC(=O)N(C)Cc2nnc3n2CCC3)c1 48340714 SUGPDASDKLDKSI-UHFFFAOYSA-N 314.389 1.879 0 40 DDAB CC(C)(C)OC(=O)NC1CN([C@H](C(=O)O)c2ccncc2)C1 66354385 ZRTNFPGXRIXCLM-LBPRGKRZSA-N 307.350 1.416 0 40 DDAB CCOc1ccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1 56656811 GOWLVTFCQCAEER-UHFFFAOYSA-N 317.389 1.115 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10314310 LXFKPTVMTLEEGD-SNVBAGLBSA-N 300.380 1.131 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505405 CCSUMMABWXVFHW-CHWSQXEVSA-N 321.421 1.936 0 40 DDAB CN(CC(=O)NC1CC1)[C@H](C(=O)NC1CC1)c1ccccc1 38372457 WLYFMUPISLBPHE-INIZCTEOSA-N 301.390 1.217 0 40 DDAB O=c1[nH]c(CN2CCCC[C@@H]2CO)nc2ccc(Cl)cc12 49752240 VJMOQJRGAZKLTH-LLVKDONJSA-N 307.781 1.923 0 40 DDAB CCN(Cc1cn(CC)nc1C)C(=O)C(=O)Nc1cccnc1 13727263 OFPGFDDPNZRJOU-UHFFFAOYSA-N 315.377 1.594 0 40 DDAB CCOc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@@H](C)O2 65611346 DKPOTJFJCJANAX-CXAGYDPISA-N 320.433 1.829 0 40 DDAB O=C(Cn1nc2ccccc2n1)OCC(=O)c1ccc(F)cc1 4503163 IMLATOUAKGWKNM-UHFFFAOYSA-N 313.288 1.997 0 40 DDAB COc1cc([C@H]2ON=C(C(=O)O)[C@@H]2C)c(OC)c2c1OCO2 14987657 YJJCMPMXQUYKAT-WKEGUHRASA-N 309.274 1.581 0 40 DDAB Cn1c(=O)[nH]c2cc(C(=O)NC[C@@H]3Cc4ccccc4O3)ccc21 84311027 VTVWKCIYIUUUQE-ZDUSSCGKSA-N 323.352 1.600 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)[C@@H]1Cc2ccccc2O1 67508094 ZPQJNHDGRMVAHS-AWEZNQCLSA-N 312.373 1.624 0 40 DDAB CCc1sc(C(=O)N2CCCN(CC(N)=O)CC2)cc1C 71829404 BAPQHSVBKGRZGH-UHFFFAOYSA-N 309.435 1.252 0 40 DDAB O=C(Nc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 7755892 PMEMECATZAPDPQ-MRVPVSSYSA-N 318.192 1.822 0 40 DDAB COc1cc(CNC[C@H]2CN(C3CC3)CCO2)cc(OC)c1 71880863 ALBNYBDRCXLONC-KRWDZBQOSA-N 306.406 1.657 0 40 DDAB Cc1cnn(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 71821486 YRQGCQJZSMRRSL-OAHLLOKOSA-N 303.337 1.931 0 40 DDAB CN(C)[C@H](CNc1ncc(S(N)(=O)=O)s1)c1ccco1 68658553 JVKFWFHDTDBSHS-MRVPVSSYSA-N 316.408 1.098 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164966 YOSQVIZRCPFPLC-ZFWWWQNUSA-N 322.430 1.317 0 40 DDAB C[C@@H]([C@@H](C)NCc1cnc(N2CCOCC2)nc1)n1cccn1 69372573 SHVAQJFCUQBIEB-KGLIPLIRSA-N 316.409 1.249 0 40 DDAB O=C(NCCCC(=O)N1CCN(C2CC2)CC1)c1ccccc1 69491961 AFYUCIZHLSZNKB-UHFFFAOYSA-N 315.417 1.503 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2c(cnn2C)c1=O 17180128 KNSJRWLVEJMMGI-NSHDSACASA-N 323.356 1.108 0 40 DDAB Cc1noc(CCCC(=O)N2CCCC[C@H]2Cn2cccn2)n1 69667495 WECSHAGVTBVPCN-AWEZNQCLSA-N 317.393 1.979 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cccn(C)c1=O 95437922 SYTRWVQNJKLQPR-UHFFFAOYSA-N 317.393 1.565 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)C(=O)N3CCCC3)C2)n1 69846359 ROLAKNWQMQDNRT-XJKSGUPXSA-N 319.453 1.618 0 40 DDAB CN(C(=O)c1ccc(Cn2ccccc2=O)o1)c1ccnn1C 95401363 VSBQWTQUNXWQOD-UHFFFAOYSA-N 312.329 1.500 0 40 DDAB Cc1oc(C(=O)N(C)c2ccc(F)cc2)cc1S(N)(=O)=O 88578759 KFMVPEUHFOYUQW-UHFFFAOYSA-N 312.322 1.651 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1n[nH]c2ccccc12 95947859 VDYJOWBWLQRKRA-AWEZNQCLSA-N 309.325 1.989 0 40 DDAB Cn1cccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997964 NLELKRXNUGEZQA-UHFFFAOYSA-N 307.357 1.981 0 40 DDAB Cc1cn2nnc(C(=O)NCCC3=CCCCC3)c2c(O)n1 75163969 UXAPKVBASDTWCZ-UHFFFAOYSA-N 301.350 1.759 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CC[C@H](C(=O)O)C1 62117613 ZODSIXZGUUTLBA-ZETCQYMHSA-N 301.140 1.334 0 40 DDAB C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)[C@H]1C(=O)O 547923034 PFTGOVJADZIAID-TVQRCGJNSA-N 311.359 1.201 0 40 DDAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 2155360 QKTGECBOBFPOAE-CGTJXYLNSA-N 318.417 1.849 0 40 DDAB biogenic CC(C)(C)OC(=O)N(C[C@H]1CCCN(C(=O)CN)C1)C1CC1 79409402 YYZREHXLHGCUTJ-LBPRGKRZSA-N 311.426 1.583 0 40 DDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218523403 LDZDZSWXYYZRHV-IXDOHACOSA-N 316.426 1.591 0 40 DDAB O=C(Cn1nc(-c2cc3c(s2)CCC3)oc1=O)N1CCCC1 72346463 LFTUBPJVLHWXQV-UHFFFAOYSA-N 319.386 1.676 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2C 35474866 LQWKFIUKXXTPHG-AWEZNQCLSA-N 319.336 1.265 0 40 DDAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)C2CCOCC2)n1 72388492 VLDLXTWUNBRLDP-MRXNPFEDSA-N 304.394 1.631 0 40 DDAB c1csc(CCN2CCN(c3ccc4nncn4n3)CC2)c1 69814578 KYQVRFYEKGGYFN-UHFFFAOYSA-N 314.418 1.551 0 40 DDAB CO[C@](C)(C(=O)N[C@@H](C)c1nccc(N)n1)c1ccccc1F 564830189 IUUKMRIGGQHYNN-QFYYESIMSA-N 318.352 1.937 0 40 DDAB COCc1ccccc1C(=O)NCCNc1ccc(C)nn1 69869391 FEAWSDZHTNOMCR-UHFFFAOYSA-N 300.362 1.773 0 40 DDAB C[C@H](NC(=O)c1ccc(F)c(Br)c1)C(=O)N(C)C 80250565 XEKSMUDLJJIGHT-ZETCQYMHSA-N 317.158 1.795 0 40 DDAB NNc1cc(I)c(C(F)(F)F)cn1 199545547 WYPJSZJXJFGSEU-UHFFFAOYSA-N 303.025 1.991 0 40 DDAB C[C@H](CCc1ccco1)NS(=O)(=O)c1cncc(C(=O)O)c1 571079682 DAIREDMUOKXKLG-SNVBAGLBSA-N 324.358 1.672 0 40 DDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 229800477 YMWFHSQAAOPGHO-LVEBTZEWSA-N 313.309 1.306 0 40 DDAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1cncnc1 225557256 ZWRKAOPYOILGMC-OAHLLOKOSA-N 311.341 1.146 0 40 DDAB COCc1noc([C@@H](C)N2CC[C@@H](C(N)=O)c3ccccc32)n1 195559700 RCEHZOLIUMJJQZ-ZYHUDNBSSA-N 316.361 1.756 0 40 DDAB COCCN1CCN(C(=O)c2cccn2C)Cc2cccnc21 96198858 URNDKMKTNJDVIF-UHFFFAOYSA-N 314.389 1.529 0 40 DDAB CC(C)N(C)CC(=O)NCCc1ccc(S(C)(=O)=O)cc1 96426579 FKKQQWCVVYEHSO-UHFFFAOYSA-N 312.435 1.089 0 40 DDAB COc1ncccc1CN1CCc2ncc(CN(C)C)n2CC1 96196788 DTRCMBJRZXRTKD-UHFFFAOYSA-N 315.421 1.407 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1 96201960 YATFMWRYIMJDDS-MRXNPFEDSA-N 324.446 1.338 0 40 DDAB CC(C)N(C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccncc1 96201017 LGWWPAJFYMAASO-CABCVRRESA-N 311.451 1.367 0 40 DDAB O=C(c1ccncn1)N1C[C@@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96070456 GAWXHEZBVMMZMT-ZMLRMANQSA-N 302.359 1.535 0 40 DDAB Cc1ccc(NC(=O)C[S@](=O)c2nnc(C(C)C)n2C)cc1 96450264 KFWGAJHWQIYFJJ-JOCHJYFZSA-N 320.418 1.993 0 40 DDAB Cc1cccc(CN2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)n1 96215097 UUECLJWXMTVONF-MRXNPFEDSA-N 323.462 1.780 0 40 DDAB COc1cccc(N2CCC[C@H](NC(=O)c3cc[nH]n3)C2)c1 96409254 BHSURFYHKFGRGH-LBPRGKRZSA-N 300.362 1.817 0 40 DDAB O=C(c1ccno1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365400 RSRRFNKMENJJSJ-GFCCVEGCSA-N 306.343 1.363 0 40 DDAB Cn1c2c(ccc1=O)C[C@@H](NC(=O)NCc1ccccc1)CC2 96260633 CVQXPQHZMUSNCX-HNNXBMFYSA-N 311.385 1.742 0 40 DDAB CC(=O)N(C)[C@H]1CCOC2(CCN(c3ncccn3)CC2)C1 257284109 PBGJBYRXQPZIMP-AWEZNQCLSA-N 304.394 1.473 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257269200 MOZNIBGNJWOIJF-GFCCVEGCSA-N 315.377 1.471 0 40 DDAB CN(C)Cc1cnc([C@H]2CN(CCC(F)(F)F)CCO2)[nH]1 257303077 SFRFULVWDVZTIA-LLVKDONJSA-N 306.332 1.797 0 40 DDAB O=C(CC1CCOCC1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257315997 VDRDDDCCKNBCRO-BFYDXBDKSA-N 310.438 1.297 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cncc(-c3cn[nH]c3)n2)CC1 257259898 LAOYEQPZJKKKAN-UHFFFAOYSA-N 321.406 1.081 0 40 DDAB CN(C)[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1O 257323755 WLSAEDDDNATOPY-CHWSQXEVSA-N 300.761 1.155 0 40 DDAB CSCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575406334 WQXJFCDEJPDYCI-AWEZNQCLSA-N 322.430 1.721 0 40 DDAB O[C@@]1(COc2ccc(F)cc2)COCCN(Cc2cc[nH]n2)C1 585269234 MESWIMHDVXCSHW-MRXNPFEDSA-N 321.352 1.191 0 40 DDAB CC(C)c1nccn1CCC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585289697 VNGQRONFLQMXOW-QGZVFWFLSA-N 319.405 1.747 0 40 DDAB Cc1nccc(N2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)n1 585182031 KHEYSJVPLFVEHM-NSHDSACASA-N 321.406 1.643 0 40 DDAB NC(=O)C1CCN(C(=O)CCCc2nc3ccccc3o2)CC1 31814336 XYLAVOGMIAARCM-UHFFFAOYSA-N 315.373 1.874 0 40 DDAB c1ncn(C[C@@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 69621561 UKOQCZUUVXUWNB-AWEZNQCLSA-N 300.362 1.714 0 40 DDAB CS(=O)(=O)CCSCC(=O)NCc1ccccc1F 71884089 ZFWTVZRLYGTDNI-UHFFFAOYSA-N 305.396 1.220 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)CCNCC(F)(F)F)cn1 71856837 WUBDCWRQLFDJHN-LLVKDONJSA-N 304.316 1.626 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1c(C)nn(C)c1Cl 33212860 JNPDLISGAYQSDQ-ABZNLYFFSA-N 324.812 1.522 0 40 DDAB C[C@@H](C(=O)N1CCC(c2ccc(O)cc2)CC1)S(C)(=O)=O 45062468 HTVZFYOAVNTTLO-NSHDSACASA-N 311.403 1.531 0 40 DDAB CC1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)CC1 60358353 PUDBISCJJKPJQX-ZDUSSCGKSA-N 319.409 1.912 0 40 DDAB COC(=O)N(C)CC(=O)NCc1ccccc1N1CCCC1 60408533 XCVVLBISHSHNOD-UHFFFAOYSA-N 305.378 1.601 0 40 DDAB O=C(c1ccco1)N1CCCSC[C@@H]1CN1CCOCC1 90702280 ZKDHZQLTHKQSFN-ZDUSSCGKSA-N 310.419 1.560 0 40 DDAB O=C(O)c1csc(CCNC(=O)c2cc(C3CC3)on2)n1 90938848 BBFZEZSLFMHVBX-UHFFFAOYSA-N 307.331 1.679 0 40 DDAB c1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)cn1 603382075 YOTJVOWUHNOTJD-UHFFFAOYSA-N 311.393 1.193 0 40 DDAB NS(=O)(=O)CC1CCN(CCCc2cccc(F)c2)CC1 104377025 SFQUFCATHNHGPX-UHFFFAOYSA-N 314.426 1.759 0 40 DDAB Cc1cc(Br)cnc1N1CCN(C2CC2)C(=O)C1 95412130 OQYUVJAGSHOJFR-UHFFFAOYSA-N 310.195 1.964 0 40 DDAB Nc1nc(COC(=O)c2ccccn2)nc(Nc2ccccc2)n1 5259150 YERTVVRRRICIRK-UHFFFAOYSA-N 322.328 1.949 0 40 DDAB Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1 14153165 BTFHFNRSKJJGMM-UHFFFAOYSA-N 304.371 1.912 0 40 DDAB CC(C)N1CCC(NS(=O)(=O)c2cccc3nonc23)CC1 14252534 PKFNDUHCFURSDS-UHFFFAOYSA-N 324.406 1.374 0 40 DDAB CCNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 14396272 LLCZSLCPAQJYDL-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB COCC(=O)Nc1ccccc1C(=O)Nc1c(C)n[nH]c1C 14404730 MLWGPMXSIGCTTI-UHFFFAOYSA-N 302.334 1.864 0 40 DDAB CCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 7425602 JDBJVGZBYDASTB-UHFFFAOYSA-N 319.409 1.460 0 40 DDAB O=C([C@@H]1CN(CCOc2ccccc2)CCO1)N1CCCC1 1889130355 PAYJAMQAMZBMGN-INIZCTEOSA-N 304.390 1.389 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)C1(F)CC1)C2 1565550303 XXUOEFDESACPMR-LLVKDONJSA-N 308.357 1.170 0 40 DDAB Cc1snnc1C(=O)N1C[C@@H]2CN(CC3CCOCC3)C[C@@H]21 1565542310 JWHYSKRPSGWPCC-STQMWFEESA-N 322.434 1.029 0 40 DDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NC3CCCC3)ncn2C1 2055714458 AHBSVVHKXWZJRM-GFCCVEGCSA-N 318.421 1.643 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](NCc1nccs1)CC2 2055745477 CKDSCCRSFRCFLT-JTQLQIEISA-N 320.418 1.916 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1 23106616 NGNWIHFAZCJMPT-LBPRGKRZSA-N 318.402 1.501 0 40 DDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1ccc(CCO)cc1 606440691 SKMLBRLVXIWFPR-KGLIPLIRSA-N 304.390 1.568 0 40 DDAB COC(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccco2)cc1 77110961 DIARSKWRULASOB-CYBMUJFWSA-N 303.314 1.920 0 40 DDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc(F)cc1 12390864 RMDVBXXOGSRADO-UHFFFAOYSA-N 315.308 1.436 0 40 DDAB COCCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 100752591 QELIFEOWXOVNPZ-AEGPPILISA-N 323.437 1.644 0 40 DDAB CN(CC(=O)NCCCn1cccn1)C(=O)c1cccs1 40508938 NSFXROWCBKDGLL-UHFFFAOYSA-N 306.391 1.223 0 40 DDAB CCc1noc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1 40511255 IDWVAJCDDDQXLU-NSHDSACASA-N 319.361 1.698 0 40 DDAB CC(C)CNC(=O)C(=O)N[C@H]1C(=O)N(C(C)C)c2ccccc21 101452080 XRTLBTYJBKTXEO-CQSZACIVSA-N 317.389 1.371 0 40 DDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)CCO2 51768881 ZSLVSZGHTKSXCW-UHFFFAOYSA-N 313.375 1.195 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)COCc1cccc(OC)c1 32930950 MQNCCFYDCNJCKH-LBPRGKRZSA-N 308.378 1.243 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(OC)c(OC)c1 33210159 XDZADUKQIGHMTF-GFCCVEGCSA-N 306.362 1.445 0 40 DDAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N(C)C)cc1C 555763 TVCFKJIUOXIORQ-AWEZNQCLSA-N 319.430 1.885 0 40 DDAB C[C@@H](Cn1cccn1)Nc1ccc2nnc(C(F)(F)F)n2n1 42106296 SUYIDDXTSDJFGH-QMMMGPOBSA-N 311.271 1.840 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)on1 42383781 XIZCLMPIUNRQIF-NSHDSACASA-N 320.370 1.506 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 54122138 IIBYISUGORJDKV-ZDUSSCGKSA-N 303.366 1.679 0 40 DDAB CCn1c(COc2ccccc2OC)nnc1SCC(N)=O 419620 RURGUGCFDHAMHR-UHFFFAOYSA-N 322.390 1.463 0 40 DDAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCNC(=O)C1 23419905 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CC(=O)N[C@H](CC(=O)N1C[C@@H](C)OC[C@@H]1C)c1cccs1 106558137 CPFIKWWBAJKRCZ-DMDPSCGWSA-N 310.419 1.951 0 40 DDAB NC(=O)CSc1ncc(CO)n1Cc1ccc(Cl)cc1 10336477 BLTDSMAGKZYECD-UHFFFAOYSA-N 311.794 1.655 0 40 DDAB COCCN(C(=O)c1ccc(-n2cnnn2)cc1)C1CCCC1 56136161 HWQKEVWKTKFBSQ-UHFFFAOYSA-N 315.377 1.694 0 40 DDAB CN1C(=O)C(=O)N(CN[C@@H](c2cccs2)C(C)(C)C)C1=O 57091222 PIJWLVGSENEOLX-JTQLQIEISA-N 309.391 1.803 0 40 DDAB CNC(=S)NNC(=S)Nc1ccc(Br)cc1 9189533 YVFRXDMBQHAXEV-UHFFFAOYSA-N 319.253 1.744 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1C 9288415 ZWQNXDKZYOCXLC-NWDGAFQWSA-N 322.386 1.317 0 40 DDAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@H](Cc2ccccc2)C1 108167421 OAEISYXGSBYHIV-QBPKDAKJSA-N 316.401 1.959 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)Cn1ccccc1=O)c1ccccc1 48235281 HULHNRRMXFUBOF-KRWDZBQOSA-N 322.368 1.488 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)CN2CCCCC2)C1 108456241 ADYZWCOGXLBVTI-ZIAGYGMSSA-N 303.472 1.427 0 40 DDAB Cc1csc(CNC(=O)Cn2ncc(=O)c3ccccc32)n1 48234834 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NC(=O)COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 58446103 UCLFLXWPWQTTEX-HUUCEWRRSA-N 318.373 1.334 0 40 DDAB O=C(C1CCOCC1)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108525776 WUVNUFJLQFUJNH-HOTGVXAUSA-N 308.422 1.125 0 40 DDAB CC(C)=CCC[C@H](C)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 105365513 AYRGGDSIYYYSRA-CKENWRIRSA-N 305.374 1.988 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1ccncc1 45673152 GODRTWXDKWPMQD-JSGCOSHPSA-N 323.418 1.363 0 40 DDAB C[C@H](Oc1ccc(Br)cc1F)C(=O)NC(N)=O 3404296 AZKZWMRGGODZPB-YFKPBYRVSA-N 305.103 1.550 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CCO1 45876132 UKTHTWUBYCMCLE-NSHDSACASA-N 316.365 1.352 0 40 DDAB NC(=O)c1cccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 29341546 MZQBGHCNZCNHOW-UHFFFAOYSA-N 317.732 1.790 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccs2)C1 57318842 DFCRTRTVZDMPAW-VXGBXAGGSA-N 310.419 1.751 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCc2ccccc2)C1=O 3597269 LNQBPBIOMKVYDJ-CYBMUJFWSA-N 303.362 1.269 0 40 DDAB CC(C)C[C@](C)(CN)NS(=O)(=O)Cc1ccc(Cl)nc1 95432102 XZLIJFVMMLUFQU-CYBMUJFWSA-N 319.858 1.918 0 40 DDAB C[C@@H](Cn1cc(Br)cn1)C(=O)NC[C@@H]1CCCO1 2803990 PNLMURVGHNBORP-ONGXEEELSA-N 316.199 1.577 0 40 DDAB COc1cc(CNCCc2cnn(C)c2)cc(OC)c1OC 48784462 FDBKZUBSYKNGIL-UHFFFAOYSA-N 305.378 1.778 0 40 DDAB CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCc2sccc21 95429819 RTZKEQFNYWPWST-NSHDSACASA-N 301.433 1.671 0 40 DDAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 19527788 UPKHKJWETQTZQF-OAHLLOKOSA-N 315.417 1.512 0 40 DDAB Cc1noc(C)c1CN1CCc2cc(S(N)(=O)=O)ccc21 9378976 JHJIDHJKTQFAIS-UHFFFAOYSA-N 307.375 1.502 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1 65398734 VONRGPZTDWIEBN-GJZGRUSLSA-N 317.389 1.300 0 40 DDAB O=C(CN1CC[C@H](CNc2ccccn2)C1)Nc1nncs1 65462380 OTWQDAGPIUVWOB-LLVKDONJSA-N 318.406 1.306 0 40 DDAB Cn1ncc2c(N3CCC[C@@H]3C(=O)Nc3ccccc3)ncnc21 65439402 OJBCGHSRPVDNAK-CQSZACIVSA-N 322.372 1.971 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)Sc1ccc2c(c1)OCCO2 6497199 HHBAMUKDGSAAHH-SECBINFHSA-N 310.375 1.784 0 40 DDAB CN1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 75123133 FEMJHYHIJWHOMJ-SECBINFHSA-N 318.299 1.609 0 40 DDAB CCNC(=O)C1CN(C(=O)c2cnn(CC(C)C)c2CC)C1 95439694 RKPALNBOJIABQG-UHFFFAOYSA-N 306.410 1.310 0 40 DDAB O=C(/C=C(/c1ccccc1)C(F)(F)F)NN1CC(=O)NC1=O 96298220 ATAXIDBOPDYDOK-TWGQIWQCSA-N 313.235 1.215 0 40 DDAB CNC(=O)NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 96492241 HBRUWCAGZIKMBB-GFCCVEGCSA-N 312.373 1.855 0 40 DDAB Cc1cc(C(=O)OC2CCN(CC(=O)N(C)C)CC2)c(C)o1 96410819 RAWXSOJHCXGXKX-UHFFFAOYSA-N 308.378 1.606 0 40 DDAB C[C@@H]1C[C@@H](N2C(=O)N[C@]3(CCc4ccccc43)C2=O)C(=O)O1 8325106 SIHLDCYFNGFWGP-ULMHFPJVSA-N 300.314 1.084 0 40 DDAB CCNC(=O)C1(NS(=O)(=O)N2CCCCC2)CCCCC1 69415073 DGLROYAJBVHLMD-UHFFFAOYSA-N 317.455 1.146 0 40 DDAB COc1ccc(-c2nnn(Cc3cc(C)on3)n2)cc1OC 8428686 BMKXYJFZILNZBX-UHFFFAOYSA-N 301.306 1.702 0 40 DDAB CC(C)(C)c1csc(CCNC(=O)NCC(=O)NC2CC2)n1 71856735 YACNUQCDUVZBPM-UHFFFAOYSA-N 324.450 1.561 0 40 DDAB CN(C)C(=O)N1CCN(C(=O)NOCc2ccccc2)CC1 69738964 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COC[C@H](NCc1cc(=O)n2ccsc2n1)c1ccco1 97110643 OXTOULQUCVCWLM-NSHDSACASA-N 305.359 1.826 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c(C)c1 179306088 YGFQHWWRUILPLB-LBPRGKRZSA-N 319.448 1.323 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](C)C(=O)O 95970580 BZFAONJZCPFDSH-NSHDSACASA-N 315.373 1.869 0 40 DDAB O=C(Cc1csc(N2CCNC2=O)n1)NC[C@H]1CC=CCC1 84338674 UCSPWWPWXBKKGL-NSHDSACASA-N 320.418 1.688 0 40 DDAB O=C(NC1CC1)[C@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 84344076 GZIFQCNTVCCLRW-ZBEGNZNMSA-N 324.371 1.989 0 40 DDAB Cc1noc(C)c1Cc1nnc2sc(-c3csnn3)nn12 72405502 SDITVGXVPBEUSW-UHFFFAOYSA-N 319.375 1.900 0 40 DDAB O=C1NC2(CCC2)C(=O)N1Cc1nc(Cc2ccccc2)no1 84541505 DWOVXXFHNNCNHZ-UHFFFAOYSA-N 312.329 1.635 0 40 DDAB c1cnc(N2Cc3cncn3[C@H](COCc3cccnc3)C2)nc1 306136376 PSADAANSVGBAOU-INIZCTEOSA-N 322.372 1.846 0 40 DDAB Cc1noc(C)c1CC(=O)NC(C)(C)c1noc(CN(C)C)n1 65757253 DTEYASYGVPZDFA-UHFFFAOYSA-N 321.381 1.330 0 40 DDAB CC1(C)CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCO1 1551522120 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O=C(O)c1nccnc1C(=O)Nc1ccc(-n2cncn2)cc1 32070855 FDLSCKWHUJBFRW-UHFFFAOYSA-N 310.273 1.008 0 40 DDAB COc1ccc(C)cc1NC(=O)CNCCCN1CCOCC1 35311402 QDEZZSUQRQNVKC-UHFFFAOYSA-N 321.421 1.254 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@](O)(C(F)(F)F)C1 77990100 CMIVDRBOMQBNEB-GFCCVEGCSA-N 307.243 1.730 0 40 DDAB CCOc1ccc(-n2nc(C(C)=O)cc(C(=O)O)c2=O)cc1 225966613 AHMMEKQJNDVANT-UHFFFAOYSA-N 302.286 1.532 0 40 DDAB Oc1[nH]c(=S)nc2c1cnn2-c1ccc2c(c1)OCCO2 85397982 IUVSPCAOCYTEHM-UHFFFAOYSA-N 302.315 1.955 0 40 DDAB CSc1ncc(Br)c(C(=O)NCCC(=O)O)n1 41157356 WCTMCFBKRPWTAT-UHFFFAOYSA-N 320.168 1.166 0 40 DDAB CC(=O)N1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244531 RWLRZAJRRNIJGI-KRWDZBQOSA-N 316.405 1.627 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)C1CCC1 96405504 DRKQQUHRAWUZHD-KRWDZBQOSA-N 302.418 1.846 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072525 ICOFTGFCNVDNCM-XJKSGUPXSA-N 314.345 1.257 0 40 DDAB O=C(CN1CCO[C@H](c2nccs2)C1)NC(C1CC1)C1CC1 97199831 PVMJARRPGBWUQH-ZDUSSCGKSA-N 321.446 1.821 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 95957970 WQFAIPJXBFTFED-GFCCVEGCSA-N 315.377 1.550 0 40 DDAB Cc1ccc(N2CCC[C@H](N3CCS(=O)(=O)CC3)C2=O)cc1 96441415 DJNQGAVUBGGNTJ-HNNXBMFYSA-N 322.430 1.221 0 40 DDAB O=C(NC1CC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192192 UFOVFZNVURNURU-MRVPVSSYSA-N 316.283 1.077 0 40 DDAB CC(C)N1CCOC[C@]2(CN(Cc3ccncc3)CCO2)C1 96049737 XVUAVBUQYJMHJS-KRWDZBQOSA-N 305.422 1.393 0 40 DDAB C[C@H](C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1cccnc1 97100953 UGYKGCPWHQWZHI-LBPRGKRZSA-N 312.435 1.857 0 40 DDAB COc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)cc1 96187381 OSMXWTPAWUANGU-UHFFFAOYSA-N 314.389 1.678 0 40 DDAB Cc1nnsc1C(=O)N1CCC(Oc2cccnn2)CC1 96119338 UDOPZBCDBGBKLQ-UHFFFAOYSA-N 305.363 1.320 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCN(C)CC3)CC(=O)N2C)cc1 96181342 PSKUWEYLXFTPJA-WBVHZDCISA-N 315.417 1.288 0 40 DDAB CCS(=O)(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 96421261 SLEOQJJYJMQUJK-HIFRSBDPSA-N 312.435 1.215 0 40 DDAB O=C(c1cccnc1)N1CCn2cc(CN3CCCC3)nc2C1 96067963 QAWDKPZYQJPLRG-UHFFFAOYSA-N 311.389 1.530 0 40 DDAB COc1ccc(-c2nn(CC(=O)N(C)C)c(=O)cc2OC)cc1 96101185 NEWAALHWAAOXBU-UHFFFAOYSA-N 317.345 1.016 0 40 DDAB O=C(c1ccco1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247801382 FYNXXPUTTVWDCJ-CQSZACIVSA-N 320.389 1.233 0 40 DDAB CN1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253480341 WEDLJPOUXKKRCL-OVWQWFNUSA-N 310.482 1.826 0 40 DDAB O=C(c1cnco1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257307291 SYAUQJMWTPGSPM-LLVKDONJSA-N 313.317 1.790 0 40 DDAB COc1c(C(=O)NCCCN2CCOCC2)oc2ccccc12 252492775 MWIVFCINVJTEFR-UHFFFAOYSA-N 318.373 1.894 0 40 DDAB Cc1cc(-c2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)[nH]n1 257310033 UDKXGOLXZSRXOQ-NSHDSACASA-N 321.406 1.314 0 40 DDAB COc1ccc([C@H]2CN(C(=O)CCC(=O)O)CCN2C)cc1 257301600 RZBWFDWMYHRCDO-CQSZACIVSA-N 306.362 1.375 0 40 DDAB COCc1cccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)c1 257304746 SMZWDJHUNASELF-RDJZCZTQSA-N 305.374 1.589 0 40 DDAB O=C(c1ccccn1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025340 MHCYJFDCZDFMDV-AWEZNQCLSA-N 316.382 1.770 0 40 DDAB CN(C)C(=O)COc1cccc(NC(=O)NCC(F)(F)F)c1 298707493 YOFWVIZFZRCHPO-UHFFFAOYSA-N 319.283 1.837 0 40 DDAB C[C@H](C(=O)N1CCc2ccccc2C1)n1nc2c(cc1=O)CCC2 575609304 VIAMGRRFFDTFGF-CYBMUJFWSA-N 323.396 1.878 0 40 DDAB COc1ccc(C(=O)NCCOCCn2ccnc2)cc1F 575618578 CMWVHIJVLFIJCU-UHFFFAOYSA-N 307.325 1.477 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NC2CCCC2)C1 585096109 RRFYXVXNPSUAFO-DFBGVHRSSA-N 316.405 1.481 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NC2CCC2)C1 585095966 HRIUPCFCIRGYNE-HONMWMINSA-N 302.378 1.091 0 40 DDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc2[nH]ccc12 585293803 AKVQZBVUDWPCFK-TWMKSMIVSA-N 304.390 1.091 0 40 DDAB Cc1cccn2cc(CC(=O)N3CCC[C@@H](n4cncn4)C3)nc12 72235047 KQCKKCHCCHEDEF-OAHLLOKOSA-N 324.388 1.640 0 40 DDAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(-n2cccn2)nc1 72276984 FNVVZLPXCUFWOR-UHFFFAOYSA-N 314.345 1.785 0 40 DDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1cccc(C(=O)O)c1 16899437 BLGMWDUULFZBFM-SNVBAGLBSA-N 319.342 1.027 0 40 DDAB CCOc1cccc2c(C)nc(NC3=NCN(CC)CN3)nc12 19330728 OKBWKZODWVVLQY-UHFFFAOYSA-N 314.393 1.945 0 40 DDAB O=C(CN1CCCC[C@@H]1C(=O)O)NCc1cccc(Cl)c1 158360313 YQYHPLIYMAASOR-CYBMUJFWSA-N 310.781 1.895 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 607854277 LLIGXCABAJBURL-MRXNPFEDSA-N 305.353 1.446 0 40 DDAB NC(=O)c1ncn([C@H]2CCCN(Cc3ncccc3Cl)C2)n1 528457240 IEEAWUBZFLAKTF-JTQLQIEISA-N 320.784 1.263 0 40 DDAB NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](c1ccccc1)N2 31890740 WSUOBCJBQQLCLY-CYBMUJFWSA-N 303.343 1.439 0 40 DDAB CN(C)c1ncccc1CNC(=O)[C@@H]1C(=O)NC[C@@H]1C(C)(C)C 585149608 JKUUXQQYBCOKFK-QWHCGFSZSA-N 318.421 1.172 0 40 DDAB Cc1nc(N2CC(Cn3cc(Cl)cn3)C2)c2cnn(C)c2n1 1889133878 XNDGKFQKWVGHTG-UHFFFAOYSA-N 317.784 1.658 0 40 DDAB O=S(=O)(CCc1ccccc1)NC1CN(c2ccccn2)C1 1259741707 UGNHIGTVGRHCIV-UHFFFAOYSA-N 317.414 1.432 0 40 DDAB Cc1ccnc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1 2086992657 VTLUNSFRRMIXRG-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB COc1nc(OC)nc(N2CC(Cn3ccnc3C(C)C)C2)n1 2087130924 VCIYMXPPWDFIGF-UHFFFAOYSA-N 318.381 1.345 0 40 DDAB CCCC(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 10251365 VAPRQXYCUXGHMM-UHFFFAOYSA-N 311.345 1.761 0 40 DDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC2)C1 2055751022 ZDCMPQJOKOOPEV-MRXNPFEDSA-N 305.353 1.365 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(c2ncccc2Cl)C1)C1CC1 2086884503 BZBYUBJQEHTZPX-SNVBAGLBSA-N 315.826 1.786 0 40 DDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 488753 WGPUMASERPUING-LDDOYCOJSA-N 313.353 1.845 0 40 DDAB biogenic Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)CC(C)(C)C2 20101573 YBSRVEPJXRECGS-UHFFFAOYSA-N 302.378 1.219 0 40 DDAB CCOC(=O)[C@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1 31254329 PMAOSKAECJRMSU-CQSZACIVSA-N 315.373 1.841 0 40 DDAB Nc1nccnc1C(=O)NCc1csc(Br)c1 31422407 RBTQDLAGFBZYNG-UHFFFAOYSA-N 313.180 1.813 0 40 DDAB CN(C)c1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cn1 40485651 KMJIKHPWSFEOEC-UHFFFAOYSA-N 323.356 1.496 0 40 DDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)cn1 40528094 RUPAONPBVIJULD-CQSZACIVSA-N 305.403 1.816 0 40 DDAB CO[C@@H]1CN[C@@H](C(=O)NCc2ccc(Br)s2)C1 40636716 OSZMULOCRBVYNU-IONNQARKSA-N 319.224 1.504 0 40 DDAB Cc1nc(CC(=O)O[C@H](C(N)=O)c2ccc(F)cc2)cs1 21447501 MVFCYINGNFCWJG-ZDUSSCGKSA-N 308.334 1.903 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC(C1CC1)C1CC1 102398921 ZNQYRXMKKCLETD-KBPBESRZSA-N 318.417 1.857 0 40 DDAB NC(=O)C1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 41501498 JOPSKKMGAWTFCU-UHFFFAOYSA-N 304.365 1.971 0 40 DDAB O=C(O)[C@H](Cc1c[nH]cn1)NC(=S)NCc1ccccc1 504179 VVJPSFQYFNALGR-LBPRGKRZSA-N 304.375 1.070 0 40 DDAB Cn1nc(C(=O)n2cccc/c2=N\C2CCCCC2)ccc1=O 22533452 BDARYFCROBBJDT-OBGWFSINSA-N 312.373 1.504 0 40 DDAB O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2F)cc1O 104133891 OFSQIVIYNSNTHT-SNVBAGLBSA-N 305.309 1.626 0 40 DDAB CCOc1ccc(OCC(=O)N2CCC(C(=O)NC)CC2)cc1 23180635 RQSKJWRNUPXBMH-UHFFFAOYSA-N 320.389 1.449 0 40 DDAB C[C@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 78549739 ZAOCZNMDIJSDSC-ATGSNQNLSA-N 318.373 1.283 0 40 DDAB CSCCCN1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 78896273 KXMYPEYMJDTHJJ-ZBFHGGJFSA-N 313.511 1.614 0 40 DDAB COc1ncccc1C(=O)Nc1ccc(N2CCNC2=O)cc1 78886017 RGDOSYFMGZJVEC-UHFFFAOYSA-N 312.329 1.872 0 40 DDAB O=C(Cn1nnc2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 72230671 QXQCDLXURJUKKR-AWEZNQCLSA-N 324.340 1.243 0 40 DDAB O=c1cc2c(nn1CN1CCN(Cc3ccccc3)CC1)CCC2 58402850 WMYGLFBSZNROQS-UHFFFAOYSA-N 324.428 1.507 0 40 DDAB S=C(NCCN1CCOCC1)NCc1ccccc1Cl 25195211 ZKWLFUSNJJNONJ-UHFFFAOYSA-N 313.854 1.636 0 40 DDAB O=C(COc1ccc(CCNC(=O)C2CCC2)cc1)NC1CC1 55836104 POXNOTPBLSKOGS-UHFFFAOYSA-N 316.401 1.803 0 40 DDAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)cc1 26049695 STJOHSUDGOHTOO-LLVKDONJSA-N 301.346 1.670 0 40 DDAB O=C(c1cc(Br)c[nH]1)N1CCN(CC2CC2)CC1 37845585 TUBLJZGTEMPNDL-UHFFFAOYSA-N 312.211 1.945 0 40 DDAB C[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCCO2)n1cccn1 44669676 NYLHLKVCDPHURS-LBPRGKRZSA-N 301.346 1.874 0 40 DDAB O=C(COn1nnc2ccccc21)NCc1ccccc1F 58023191 RCHZNSXWFCEPRB-UHFFFAOYSA-N 300.293 1.315 0 40 DDAB O=C([C@H]1CN(C[C@@H]2CC=CCC2)[C@@H]2CCO[C@H]12)N1CCOCC1 108535270 GUUTZTQEQGQVGI-YYIAUSFCSA-N 320.433 1.291 0 40 DDAB O=C(NCCNC(=O)N1CC[C@H](c2ccccc2)C1)C1CC1 58290956 QELORUKAFHRVDC-HNNXBMFYSA-N 301.390 1.712 0 40 DDAB CC1(C)NC(=O)N(CCCN2CCOc3ccccc3C2)C1=O 44978271 GGCHCMJFLUOBGN-UHFFFAOYSA-N 317.389 1.602 0 40 DDAB O[C@@H](CN1CCO[C@H](c2ccc(F)cc2)C1)Cn1cccn1 44975247 PRLDDNGZFXIKJO-HOTGVXAUSA-N 305.353 1.457 0 40 DDAB C[C@H]1CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C[C@H](C)O1 58416200 JOGOLRMPKVSWIY-QWRGUYRKSA-N 300.399 1.926 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)NCCCn2ccnc2)c1 2291703 LBIFYQMXUGOXEK-UHFFFAOYSA-N 300.362 1.645 0 40 DDAB CCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 36390151 DWGPHNZPXAVMEK-AWEZNQCLSA-N 319.405 1.638 0 40 DDAB CC(=O)c1c(SCC(=O)N[C@H](C)C(C)C)nc(=O)[nH]c1C 10915209 RHFVBYBEAWJUFK-MRVPVSSYSA-N 311.407 1.534 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 45540525 TUFMJUMOUJSSMR-BONVTDFDSA-N 307.350 1.351 0 40 DDAB CCc1nc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cs1 111375398 UIJKDRDFHGLLQV-ZYHUDNBSSA-N 319.434 1.895 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2nc(C)cc(C)n2n1 3411695 JYQBCCOUOOKOTE-VIFPVBQESA-N 322.394 1.067 0 40 DDAB CCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10332876 ZPIPXAGADBXBKZ-ZDUSSCGKSA-N 312.435 1.984 0 40 DDAB CSc1cccc(NC(=O)CCn2ccc(=O)[nH]c2=O)c1 11905173 IEHCMRZXINADIR-UHFFFAOYSA-N 305.359 1.287 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)NCCc1cnn(C)c1 46993021 CPXUVMZLXFYJGR-AWEZNQCLSA-N 318.377 1.004 0 40 DDAB O=C(Nc1cccnc1)N[C@H]1CCCc2c1cnn2CCO 47125396 MRJBXPFWYBQGQO-ZDUSSCGKSA-N 301.350 1.470 0 40 DDAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1C(=O)CNC1=O 28297076 DUJKYFJPWRFHFG-CYBMUJFWSA-N 315.373 1.479 0 40 DDAB C[C@@]1([C@H]2CCCN(CCc3cccs3)C2)NC(=O)NC1=O 72300724 IXWZTEUDGAZPDQ-NHYWBVRUSA-N 307.419 1.601 0 40 DDAB COCCN(CCOC)C(=O)COc1ccccc1NC(C)=O 6085543 DBROTQSVQHZBAU-UHFFFAOYSA-N 324.377 1.145 0 40 DDAB COCCNC(=O)c1cc(C)nc2c1nc1n2CCCCC1 39553379 NAOUHMKFLBFAEE-UHFFFAOYSA-N 302.378 1.842 0 40 DDAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(C(N)=O)cc1 6369917 YSXPJAIMKNAHOB-SECBINFHSA-N 304.375 1.638 0 40 DDAB O=C(CNC(=O)C1(c2cccc(F)c2)CCC1)Nc1cn[nH]c1 65591168 SQZVKCYVTUXPQK-UHFFFAOYSA-N 316.336 1.725 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3[nH]cnc3c2)C1 65577909 OEFJIHOTKQDXGX-AWEZNQCLSA-N 316.405 1.650 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2nnn[nH]2)cc1 14141932 WSJVULDEHGSWNT-UHFFFAOYSA-N 309.285 1.848 0 40 DDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)CC)C2=O 4513333 DQXBBVLFNXSQCR-OPGSHWCFSA-N 309.410 1.792 0 40 DDAB O=C(Nc1cccnc1)c1cccc(N2CCCS2(=O)=O)c1 14213350 VMAIUNGDZVXWKS-UHFFFAOYSA-N 317.370 1.874 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 65893463 ZKHMQWRPNFLTLH-NSHDSACASA-N 318.373 1.650 0 40 DDAB C[C@]1(NC(=O)Cc2c(F)cccc2Cl)CCS(=O)(=O)C1 6507964 UDHNXESORRXFFO-ZDUSSCGKSA-N 319.785 1.715 0 40 DDAB COC(=O)/C(=C/C(C)=C/c1cc(C(=O)OC)nc(O)n1)OC 9435255 RRUZJNKZGBWDJR-CZDIAPPSSA-N 308.290 1.075 0 40 DDAB CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 5817126 VDPZDRBXCKEVJM-KGLIPLIRSA-N 304.346 1.330 0 40 DDAB COc1ccc(S(=O)(=O)NC(=O)c2c(C)noc2C)cc1 6921158 KPYHKMZVXXADBF-UHFFFAOYSA-N 310.331 1.419 0 40 DDAB CC(C)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932639 XHKGUYVKXUKARO-UHFFFAOYSA-N 313.283 1.884 0 40 DDAB CSc1ccccc1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C 7431641 MQAKPVZJFNAIBN-LLVKDONJSA-N 310.375 1.785 0 40 DDAB CCNC(=O)c1cc(N2CCCN(C(=O)CC)CC2)ccn1 95395758 ZSOUPHWIEJGTTC-UHFFFAOYSA-N 304.394 1.280 0 40 DDAB Cc1nnc([C@@H](NC(=O)c2nccnc2N)c2ccccc2)n1C 95397307 RHCFCULIUKUGAO-LBPRGKRZSA-N 323.360 1.015 0 40 DDAB NC(=O)c1ccc(NCc2ccc(Cn3ccnc3)cc2)nn1 80948842 JTLSGHNLUNCDRW-UHFFFAOYSA-N 308.345 1.432 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 71881773 OCKBUJPRHQWTPN-GVDBMIGSSA-N 320.408 1.844 0 40 DDAB Cc1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1C 7871468 CNFPLVOLGFENCZ-UHFFFAOYSA-N 312.373 1.643 0 40 DDAB CN(C)C1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 71824107 MURUZUXMHPUVBS-AWEZNQCLSA-N 317.437 1.246 0 40 DDAB COc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1 19942586 YZCVAGNJHCWUBP-UHFFFAOYSA-N 312.416 1.981 0 40 DDAB CN(CCSc1nnc(Cn2cncn2)o1)c1ccccc1 83861063 PKZGXTFRSFDGDK-UHFFFAOYSA-N 316.390 1.938 0 40 DDAB Cc1cnc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cn1 71927892 WBCNYDSNSZLVQN-UHFFFAOYSA-N 301.350 1.039 0 40 DDAB CCN1CCO[C@H](CNCc2ccnc(-c3ccccc3)n2)C1 70004011 RGBTYKRGQKDICH-QGZVFWFLSA-N 312.417 1.954 0 40 DDAB O=C(CN1CCCC[C@@H]1Cn1cccn1)Nc1nncs1 70036921 KJMKBCLSDDTJDW-LLVKDONJSA-N 306.395 1.228 0 40 DDAB COCCN1CCN(CC(=O)N2CCc3ccccc32)C[C@H]1C 70018203 SDTXOWONHKGRRQ-OAHLLOKOSA-N 317.433 1.228 0 40 DDAB COc1cccc(-c2nc(C)c(/C(O)=N/S(C)(=O)=O)[nH]2)c1 91437167 YPHCCVVMLDPSEA-UHFFFAOYSA-N 309.347 1.658 0 40 DDAB CN(C)CCn1ccc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc21 73102645 MMLPETLQVVJCAL-CQSZACIVSA-N 314.389 1.420 0 40 DDAB CCn1cc(CN2CCCN(C(=O)COCC3CC3)CC2)cn1 69571423 CZYYFRIDMZPKRI-UHFFFAOYSA-N 320.437 1.364 0 40 DDAB C[C@@H](NC(=O)COC(=O)c1nccnc1N)c1cccs1 9738141 UOVGGJVYMHIVAG-MRVPVSSYSA-N 306.347 1.155 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1cnn(Cc3ccccc3)c1)CC2 69772866 RUFJAMMJEYNVRM-KRWDZBQOSA-N 322.416 1.936 0 40 DDAB CNC(=O)CCNC(=O)[C@H](c1ccccc1)N1CCSCC1 69894101 NFGYIMYTMVQWQH-HNNXBMFYSA-N 321.446 1.029 0 40 DDAB Cc1ccc2nc(CN3CCC[C@H]3Cn3cccn3)cc(=O)n2c1 69925287 HZWHSDLXJCGFGV-INIZCTEOSA-N 323.400 1.864 0 40 DDAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)no1 84120134 LTNSOLLGERVWGC-LLVKDONJSA-N 318.333 1.986 0 40 DDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1Cc2ccccc2O1 8752423 ABLMMWSKNLJZRL-HNNXBMFYSA-N 307.313 1.605 0 40 DDAB O=C(Cc1ccon1)N1CCC(C(=O)O)(c2ccccc2)CC1 97017441 FBDWGVHVBSKEFW-UHFFFAOYSA-N 314.341 1.862 0 40 DDAB CCn1c(NC(=O)[C@@H]2CN(C)CCO2)nc2cc(C)ccc21 97034084 LIFUBCSWYSMNFV-AWEZNQCLSA-N 302.378 1.634 0 40 DDAB Cc1ccc(S(=O)(=O)NNc2cc(C)nc3ncnn23)cc1 8877055 KXEQGRAFBLUOGG-UHFFFAOYSA-N 318.362 1.047 0 40 DDAB CCNC(=O)NCCCOC(=O)[C@H](C)n1cnc2ccccc21 95461517 BHDHQNRAYUONDD-LBPRGKRZSA-N 318.377 1.850 0 40 DDAB CC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1 95953197 QPFLVCLFMHKATN-CYBMUJFWSA-N 317.455 1.096 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CCc3ccco3)CCO2)n1 89289739 FLYLOIDDQSWSEB-GFCCVEGCSA-N 304.350 1.493 0 40 DDAB CNC(=O)C1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 89386005 QRTRSDGTVKOZSM-AWEZNQCLSA-N 317.389 1.158 0 40 DDAB CN(Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1ncnn1C 89741163 BFOWLJXDNXZCBW-UHFFFAOYSA-N 317.784 1.681 0 40 DDAB O=C(c1cnc(C2CC2)s1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 75606447 BAAIPNRSZHQVEU-OLZOCXBDSA-N 321.446 1.692 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)c3c(C)noc3C)CCO2)n1 76045298 ZESBXGPHVFLKRD-QPUJVOFHSA-N 319.365 1.422 0 40 DDAB OC1(c2cn(C3CCN(c4ncccn4)CC3)nn2)CCCC1 23431010 BLQJGRKLXUKWOD-UHFFFAOYSA-N 314.393 1.671 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2nccs2)ccc1F 20011588 XOMFKJWUTSOYHX-UHFFFAOYSA-N 302.308 1.781 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccccc1 28576595 KPILIJVVWPGTHW-ZDUSSCGKSA-N 323.356 1.746 0 40 DDAB CCS(=O)(=O)N1C[C@H]2CN(CCCc3ccccc3)C[C@@H]2C1 63526826 QGBHXYICRFUQRV-IAGOWNOFSA-N 322.474 1.833 0 40 DDAB COC(=O)CCCCC(=O)NCCC(=O)Nc1ccccn1 547682508 PLDOTVSLEAYCMW-UHFFFAOYSA-N 307.350 1.260 0 40 DDAB CC[C@@H](C)NC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccccc1 67245504 WJLSAFSLXGVYKF-SNVBAGLBSA-N 322.390 1.739 0 40 DDAB Cn1cc(C(=O)NCCNC(=O)c2ccncc2)c2ccccc21 32124155 VAHHOSSURYYHCX-UHFFFAOYSA-N 322.368 1.733 0 40 DDAB biogenic O=C(c1noc2c1CCCC2)N1CCN(CC(F)(F)F)CC1 56293852 DNKCEGCNVCKXAZ-UHFFFAOYSA-N 317.311 1.874 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 78671164 RHTUZUQRCOYPPA-UKRRQHHQSA-N 308.422 1.805 0 40 DDAB C[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1ccccc1 72807741 VQMUHBWOTMMANK-ZDUSSCGKSA-N 311.385 2.000 0 40 DDAB C[C@@H](C(=O)O)c1cccc(NC(=O)[C@@H]2CCCS2(=O)=O)c1 565549191 ONNRLBIFHFHFST-SKDRFNHKSA-N 311.359 1.390 0 40 DDAB CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1 188477886 SAOCOIGOMBUIEU-HNNXBMFYSA-N 316.361 1.910 0 40 DDAB COCCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O 44894146 BXYNUTVEWUXFEX-UHFFFAOYSA-N 319.336 1.202 0 40 DDAB O=C(CCc1ccccn1)N1CCC[C@@H]1CN1CCOCC1 80909131 NKHZSTGPESIBAI-MRXNPFEDSA-N 303.406 1.337 0 40 DDAB CN1C(=O)C[C@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccc(F)cc1 85475683 JWVSQGXGUPFBGZ-DZGCQCFKSA-N 316.336 1.717 0 40 DDAB Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C1CC1 46089183 AXISDXXGVNCKDJ-UHFFFAOYSA-N 316.336 1.838 0 40 DDAB CS(=O)(=O)c1nc(Br)cc(Br)n1 82048375 YHDFDQSMZGFUGV-UHFFFAOYSA-N 315.974 1.405 0 40 DDAB Cn1ccnc(N2CCN(c3ccccc3Cl)CC2)c1=O 266180936 VFFKFXPRXGTIEB-UHFFFAOYSA-N 304.781 1.760 0 40 DDAB O=C(C1CCC1)N1CCC2(CC1)CN(Cc1cccnc1)C2=O 96202892 YIHIKOBXXKOQIL-UHFFFAOYSA-N 313.401 1.833 0 40 DDAB CN(CCCC(=O)O)C(=O)c1ccc(N2CCCC2=O)cc1 237026301 DGGFGSWOAJXHMS-UHFFFAOYSA-N 304.346 1.750 0 40 DDAB CC1(C)CC(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc21 96183213 FXQFSWUQTDHTQQ-CYBMUJFWSA-N 316.401 1.996 0 40 DDAB CCc1cnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)o1 96466058 QYXPTCIKQYGODY-UHFFFAOYSA-N 322.328 1.576 0 40 DDAB COc1ccc2cnn(C[C@H]3CCCCN3)c(=O)c2c1OC 96511204 YNZNUAAWWUYHOP-GFCCVEGCSA-N 303.362 1.556 0 40 DDAB O=C(NCC1CCN(c2ccncc2)CC1)NC1CCOCC1 180309039 XGOKJSISJGVCKY-UHFFFAOYSA-N 318.421 1.776 0 40 DDAB C[C@](Br)([C@H](O)c1cccc(N)c1)S(C)(=O)=O 96521242 HHFWHOCCXKZBSF-NXEZZACHSA-N 308.197 1.458 0 40 DDAB O=C(Cc1ccccn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96161596 DXWZCEJUADPXKP-IYBDPMFKSA-N 322.412 1.610 0 40 DDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)CC1CC1)C2 96217573 PWPOFUFFHIILOD-SJLPKXTDSA-N 306.450 1.993 0 40 DDAB Cc1noc([C@H]2COC[C@H]3CN(C(=O)c4cnoc4C)C[C@H]32)n1 96065229 RFUVYYHCPBEPCG-RTXFEEFZSA-N 318.333 1.177 0 40 DDAB Cc1cnc(N2C[C@H]3CN(Cc4cccc(C)n4)C(=O)[C@H]3C2)nc1 96245375 RBZKUHMQBOEHCQ-ZBFHGGJFSA-N 323.400 1.583 0 40 DDAB COCCn1cnc2nnc3ccc(C(=O)NC(C)C)cc3c21 96264251 UKJRUIMVRQSGMR-UHFFFAOYSA-N 313.361 1.764 0 40 DDAB CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@H]12 96064326 WEJZRCGQTBMGBE-SOUVJXGZSA-N 308.447 1.716 0 40 DDAB CO[C@H]1CO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 96209061 GKMQCYGTWPALSD-DYVFJYSZSA-N 319.357 1.364 0 40 DDAB c1cncc(OCc2noc3c2CN([C@H]2CCOC2)CC3)c1 96085116 UYJDSIWUQUWHAD-LBPRGKRZSA-N 301.346 1.796 0 40 DDAB CCc1nsc(N2CCN(C(=O)[C@H]3CCCOC3)CC2)n1 96432239 MFNZQLSLXXSDPL-NSHDSACASA-N 310.423 1.176 0 40 DDAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccco1 96098589 XTZZTDZCRKLPDB-UHFFFAOYSA-N 302.334 1.775 0 40 DDAB COc1cccc(C(=O)N2Cc3cncn3[C@@H](CN(C)C)C2)c1 248138378 SLRPQCVBMPYKGQ-HNNXBMFYSA-N 314.389 1.650 0 40 DDAB CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCC3CC3)C2)ncn1 257282391 OTONGMMMESPQAP-QGZVFWFLSA-N 317.437 1.675 0 40 DDAB C[C@H](NS(C)(=O)=O)c1nc([C@H](C)c2cccs2)no1 273750729 BBMZHNFAEBYUNA-SFYZADRCSA-N 301.393 1.893 0 40 DDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cn3cccc3)C2)n1 575413884 LVVTUMZHDYHRLS-CQSZACIVSA-N 300.362 1.575 0 40 DDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575406848 VTUZNYQARGQPKE-CYBMUJFWSA-N 306.406 1.417 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)c1ccoc1)[C@H](C)C2 585097908 OWMFVDYVHKLWDN-LLVKDONJSA-N 304.350 1.495 0 40 DDAB CO[C@]1(CCC(=O)N(C)C)CCCN(Cc2c[nH]nc2C)C1 585276066 LPZBNZBZGBSZCJ-INIZCTEOSA-N 308.426 1.568 0 40 DDAB COC[C@]1(CC(=O)N(C)C)CCCN1Cc1ncccc1F 585276216 DSRSNHSQYWKTCB-MRXNPFEDSA-N 309.385 1.680 0 40 DDAB c1coc(-c2ccc(N3CCN(c4ccncn4)CC3)nn2)c1 1155128810 ZHRIWJYYYYWJEF-UHFFFAOYSA-N 308.345 1.853 0 40 DDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCCC(C)(C)C)[C@H]2CO[C@@H]1O2 952844868 PLGWSVUSISPPJJ-ARILJUKYSA-N 309.410 1.243 0 40 DDAB biogenic,in-vitro CN(Cc1nc2cc(Br)cnc2[nH]1)CC(C)(C)O 72290414 WFGCZRHWSCGQKT-UHFFFAOYSA-N 313.199 1.923 0 40 DDAB CC(=O)Nc1nc(C(=O)NCCN2CCCCCC2)cs1 44934717 KCQFOTGLGPDKHG-UHFFFAOYSA-N 310.423 1.707 0 40 DDAB Cc1ccc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 49023243 UXLIXHLCQXOVQD-UHFFFAOYSA-N 310.400 1.885 0 40 DDAB O=S(=O)(c1ccccc1N1CCC(O)CC1)C(F)(F)F 40433460 ZSTVWZFOEJPOAB-UHFFFAOYSA-N 309.309 1.941 0 40 DDAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-n2cncn2)nn1 96097905 UGQRVOZUDRQVRS-UHFFFAOYSA-N 324.388 1.756 0 40 DDAB Cc1ccc([C@H]2OCCC[C@@H]2CNS(=O)(=O)N(C)C)cc1 98014176 SIBQBWMNICKEQR-HUUCEWRRSA-N 312.435 1.859 0 40 DDAB COC[C@H]1O[C@@H](Nc2ccccc2)[C@@H](OC)[C@@H](OC)[C@@H]1OC 5011041 WIBKTLZRZYGDIV-RBGFHDKUSA-N 311.378 1.515 0 40 DDAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1cccs1)CC2 12145345 WBHMMBASIFDESZ-UHFFFAOYSA-N 316.430 1.990 0 40 DDAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccccc2)c1=O 12146645 FMEJITSBSSHVLX-UHFFFAOYSA-N 324.340 1.402 0 40 DDAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 15652759 WWMAIHZCGDWCMC-NSHDSACASA-N 316.398 1.751 0 40 DDAB O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccccc1 206816968 BNFXEFRJKRSEJE-NSHDSACASA-N 309.416 1.700 0 40 DDAB CCOCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCN(C)CC1 22582595 GZEKRKUFTLOSEN-KRWDZBQOSA-N 319.449 1.436 0 40 DDAB O=S(=O)(CCC(F)(F)F)N1CC(n2cc(C3CC3)nn2)C1 585149195 UWAPBAFQROWQGL-UHFFFAOYSA-N 324.328 1.294 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnnn2C)cc1 3513031 QOVKCCYRQYKBGQ-SECBINFHSA-N 305.363 1.532 0 40 DDAB CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1 5989862 VYZVSKYUDSOXSR-GFCCVEGCSA-N 321.333 1.021 0 40 DDAB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 408015369 BRXMYCQMEXGMNU-NSHDSACASA-N 320.773 1.372 0 40 DDAB CN(C1CCN(Cc2cncs2)CC1)S(=O)(=O)C1CC1 2086968220 JDAOPRRTJLWIJT-UHFFFAOYSA-N 315.464 1.532 0 40 DDAB COc1cc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)ncn1 2087130529 YZNSQDPOEQWSAG-LBPRGKRZSA-N 306.410 1.959 0 40 DDAB COc1ccc(C(=O)N2CC[C@]3(C[C@@H](OC)CO3)C2)c(OC)c1 2055835185 AJSCYNUSUYWGHR-DYVFJYSZSA-N 321.373 1.724 0 40 DDAB CC(C)(C)c1nnc(N2CC(C(=O)N3CCOCC3)C2)s1 2298184018 IZCWRFDLHRCPSY-UHFFFAOYSA-N 310.423 1.131 0 40 DDAB CNC(=O)C1CCN(C(=O)NCc2ccccc2OC)CC1 31027706 MZMLHCCZESISDY-UHFFFAOYSA-N 305.378 1.363 0 40 DDAB O=S(=O)(NCCc1cccnc1)c1ccc2c(c1)OCCO2 40496168 OJCUSXRNRGNSPU-UHFFFAOYSA-N 320.370 1.374 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 51381640 SSYRDFWZTSQQAC-LRDDRELGSA-N 306.362 1.393 0 40 DDAB O=c1oc2ccccc2n1CCN1CCN(CC2CC2)CC1 52165661 JFEFQKYWERPGCV-UHFFFAOYSA-N 301.390 1.622 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 41165009 ZLOIMEZLPQMETM-SECBINFHSA-N 319.814 1.070 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1cccnc1 32819919 ZAPSODRDTUJEGN-INIZCTEOSA-N 309.369 1.453 0 40 DDAB O=C(N[C@H]1C(=O)NN[C@H]1c1ccc(Cl)cc1)c1ccccc1 576577 GVFZZTNAEBXZKO-UONOGXRCSA-N 315.760 1.814 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccccc2)n1 559493 MSJKIOWGTORTNO-CMDGGOBGSA-N 316.390 1.610 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 53646078 ZJDRCUHKPKWOIU-UHFFFAOYSA-N 318.345 1.072 0 40 DDAB Cc1cc(NC(=O)CCn2ccccc2=O)sc1C(=O)O 37448802 BJVLMKRXZPUJEC-UHFFFAOYSA-N 306.343 1.945 0 40 DDAB Cc1ncsc1C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 77618044 FZZDJVYUHOCYFK-LBPRGKRZSA-N 319.386 1.966 0 40 DDAB CC(C)c1nnc2n1CCN(C[C@@H](O)COCc1ccco1)C2 78783554 RJYAUBIBFUBQHW-CYBMUJFWSA-N 320.393 1.388 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1COc2ccccc2O1 54539201 GVZXSCWWHGRQRH-ZDUSSCGKSA-N 314.345 1.023 0 40 DDAB O=C(c1ccnc(-n2cncn2)c1)N1CCc2ccccc2C1 54675202 WOJAARDQERGZTK-UHFFFAOYSA-N 305.341 1.861 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 24481311 YURJCQFQFWKCJN-ZDUSSCGKSA-N 316.361 1.276 0 40 DDAB CN(CC(=O)OCc1nc2ccccc2[nH]1)C(=O)c1ccco1 43597425 MLCGQPKOCUTDBK-UHFFFAOYSA-N 313.313 1.971 0 40 DDAB COc1cc2c(cc1OC)CN(c1ncccc1C(N)=O)CC2 29525185 RNXISXQGBATHFB-UHFFFAOYSA-N 313.357 1.760 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)NCCc1ccccn1 58018017 ZTZVEFVDDBGMKK-UHFFFAOYSA-N 308.382 1.448 0 40 DDAB NC(=O)[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccccc1 10268882 ZLOLREXCNRVDBV-HNNXBMFYSA-N 317.389 1.026 0 40 DDAB CCOC(=O)CCCNS(=O)(=O)c1cc(C)sc1C 58217348 RPHRNJOFWVLEDU-UHFFFAOYSA-N 305.421 1.987 0 40 DDAB CN1CCN(NC(=S)Nc2ccc(Cl)c(F)c2)CC1 3305415 DXOJZMKVQVROIY-UHFFFAOYSA-N 302.806 1.928 0 40 DDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1cccc(Cl)c1 44937697 ZLPQLESFLPGGIY-AWEZNQCLSA-N 323.824 1.557 0 40 DDAB Cc1cc(C)n2ncc(C(=O)N3CCN(CC(C)C)CC3)c2n1 44908624 KHMWTXGMCMRKFA-UHFFFAOYSA-N 315.421 1.760 0 40 DDAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)no1 44916735 DRBCXOQIFCJRRC-GFCCVEGCSA-N 317.345 1.583 0 40 DDAB Cc1noc2ncc(C(=O)N3CCCC[C@@H]3CC(N)=O)cc12 58406428 IFJKPXRVXXUTKZ-LLVKDONJSA-N 302.334 1.401 0 40 DDAB CN(C)CCn1ccc(NC(=O)NC[C@@]2(C)CCCS2)n1 84673479 GSHASYNWDGQPLO-CQSZACIVSA-N 311.455 1.852 0 40 DDAB Cc1cnc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cn1 46632912 QQFMUBGAXPEJRQ-UHFFFAOYSA-N 324.384 1.312 0 40 DDAB O=C(NCCN1CCCCC1)C(=O)Nc1ccc(Cl)cn1 9183883 JLYOGJKZEPOUNS-UHFFFAOYSA-N 310.785 1.276 0 40 DDAB NC(=O)CC1CCN(C(=O)c2cncn2-c2ccccc2)CC1 49392269 NLPLXVIQBBKGDV-UHFFFAOYSA-N 312.373 1.600 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c(C)c1 95432035 OAXWQTDWLCBVKW-OAHLLOKOSA-N 320.414 1.982 0 40 DDAB Cc1nc(N2CCN(CCNC(=O)C3CCC3)CC2)sc1C 95410664 WRFIFGAQZNKIGJ-UHFFFAOYSA-N 322.478 1.798 0 40 DDAB CS(=O)(=O)N(CCCO)Cc1cccc(Br)c1 95463629 XHVWOBINLIYXOB-UHFFFAOYSA-N 322.224 1.593 0 40 DDAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1n[nH]c(O)n1 95449150 NYKMUZIVGLGQFU-UHFFFAOYSA-N 318.724 1.661 0 40 DDAB CC(C)n1cc([C@@H](C)NC(=O)N2CCC[C@H](CC(N)=O)C2)cn1 95405936 ONQGLIIFSCDLQD-CHWSQXEVSA-N 321.425 1.822 0 40 DDAB CCOCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 38718535 OQOHCHXOIRBXQE-UHFFFAOYSA-N 302.733 1.960 0 40 DDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1F 6844616 VZQGSYZTTNUZSN-LLVKDONJSA-N 304.362 1.727 0 40 DDAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(=O)n(C)n2)cc1 9550324 BHPACCDYWHBGHV-CYBMUJFWSA-N 315.329 1.035 0 40 DDAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1cccnc1 4914048 JCMKPPCHIHRPFV-UHFFFAOYSA-N 305.359 1.383 0 40 DDAB CCCS(=O)(=O)CC(=O)N1CCCC[C@H]1Cn1cccn1 71865344 JWXBNELDEMJUFP-ZDUSSCGKSA-N 313.423 1.089 0 40 DDAB NC(=O)[C@H]1CCCN1c1cc(NCCc2ccccc2)ncn1 71859429 DBCJZSZKDINMQP-CQSZACIVSA-N 311.389 1.585 0 40 DDAB CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(CO)o2)cn1 83843509 PNDBYVPUOTWEPO-BLLLJJGKSA-N 305.378 1.856 0 40 DDAB COC(=O)CCNC(=O)CN1C[C@H](C)Oc2ccc(C)cc21 81572028 CIIQETTVQZDISD-LBPRGKRZSA-N 306.362 1.262 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 8192365 PORRKQXOQBUKKG-QMMMGPOBSA-N 323.422 1.817 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccc(F)cc2)C1=O 8184067 IJXZFKNAPDWTHL-PSLIRLAXSA-N 323.324 1.345 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccn1 16730859 AAQGMKIBRGHLRE-SNVBAGLBSA-N 305.359 1.220 0 40 DDAB O=C(CCc1cc(Cl)cs1)NCCN1CCOCC1 70041052 WCYRBZMBCMDJHW-UHFFFAOYSA-N 302.827 1.783 0 40 DDAB C[C@@H](Cn1cccn1)NCCCS(=O)(=O)c1ccccc1 69393516 LMSKFXMZSUBZKR-AWEZNQCLSA-N 307.419 1.725 0 40 DDAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCCC1 24583517 JQMQOOMKMKJKDW-UHFFFAOYSA-N 310.419 1.918 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@@H](n2cccn2)C1 69433289 NVMNNCCZRBXFPR-OAHLLOKOSA-N 309.373 1.937 0 40 DDAB COc1ccc(CC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 69557294 OSZYFNAZRYOPMC-MRXNPFEDSA-N 316.401 1.755 0 40 DDAB CCOc1ccc(-c2noc(CN(CCO)CCCO)n2)cc1 69619851 OHFFVDSUZGBSNV-UHFFFAOYSA-N 321.377 1.312 0 40 DDAB CCN1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 69632401 MYDYOIGQCGZYBR-OKILXGFUSA-N 303.472 1.237 0 40 DDAB COC[C@@H](C)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 69665919 SRKRXWJTWHLCLD-ZIAGYGMSSA-N 323.412 1.487 0 40 DDAB CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 69772105 MIDJIVKTVGCPOS-JKSUJKDBSA-N 302.418 1.705 0 40 DDAB COCCn1ccc2ccc(NC(=O)N3CC[C@H](O)C3)cc21 92839336 WJYCFFJNZRLMRI-AWEZNQCLSA-N 303.362 1.886 0 40 DDAB COC(=O)CNc1ccc(C(=O)N2CCC(CO)CC2)cc1 72296251 MZMVTFVLTZNMHT-UHFFFAOYSA-N 306.362 1.116 0 40 DDAB Cc1cc(C(=O)NC[C@H]2CCCO2)nc(N2CCCCC2)n1 72241022 PBZDTQNGWQFQKR-CYBMUJFWSA-N 304.394 1.684 0 40 DDAB Cc1oc(C(=O)N(C2CCCC2)C2CC2)cc1S(N)(=O)=O 88587626 PFZALUPSNAMRJB-UHFFFAOYSA-N 312.391 1.783 0 40 DDAB Cn1ncnc1NC(=O)NC[C@](C)(O)c1ccccc1Cl 97142570 MNAMQZLCXBKDRJ-ZDUSSCGKSA-N 309.757 1.498 0 40 DDAB Cn1nc2c(cc1=O)CN(CCOc1ccccc1F)CC2 72302297 AQGOVGIOBBSQGX-UHFFFAOYSA-N 303.337 1.357 0 40 DDAB C[C@H](NC(=O)NCc1ccc2c(c1)CCO2)c1cnn(C)c1 95962447 LMBNBDTXUYATIZ-NSHDSACASA-N 300.362 1.915 0 40 DDAB CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CCOc2ccccc21 89840284 WTYZKHHIWMLIGT-DZGCQCFKSA-N 322.405 1.843 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC=C(C(F)(F)F)CC1 89893894 UFPNZRARNACHON-VIFPVBQESA-N 312.313 1.078 0 40 DDAB COc1ccc(-n2ccc(C(=O)N3CCN(C)C[C@H]3C)n2)cc1 89938713 XSAQUVBXEODLTH-CYBMUJFWSA-N 314.389 1.657 0 40 DDAB CC1(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OCCO1 89919721 LKMKRPIBMRLBBJ-UHFFFAOYSA-N 305.378 1.514 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3noc(CC(C)C)n3)CCO2)n1 76048835 QQCWRSFFLZHUMF-LLVKDONJSA-N 306.370 1.268 0 40 DDAB CC[C@@H](C)NC(=O)Cn1c(=O)c2nnc(C)n2c2ccccc21 64871466 XOKAYRVMCJYVOS-SNVBAGLBSA-N 313.361 1.267 0 40 DDAB COc1ccc([C@H](C)NC(=O)Cn2cc(C(=O)O)cn2)cc1 20326336 QQANQGULSYHQQS-JTQLQIEISA-N 303.318 1.467 0 40 DDAB COc1ccc(OCCN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 22621241 WYBYJBHTJVRJGR-OAHLLOKOSA-N 322.386 1.502 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C)c1nc(C(F)(F)F)ns1 548090022 KUDUCQOJIBECRM-YFKPBYRVSA-N 303.331 1.426 0 40 DDAB CO[C@@H](C)c1nc(=NCc2ncnn2-c2ccccc2)s[nH]1 558689710 ORFOGMWFOOKOOW-JTQLQIEISA-N 316.390 1.860 0 40 DDAB Cc1cccc(C[C@H]2COCCN(C(=O)c3c[nH]nc3C)C2)n1 72388177 BWNDLFGGERQKNO-CQSZACIVSA-N 314.389 1.753 0 40 DDAB COC(=O)c1cc(OC(=O)c2cc(OC)cc(OC)c2)n(C)n1 408553259 NDXKXJKVCFJNBB-UHFFFAOYSA-N 320.301 1.443 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)CN1CCCC1=O 65478138 KGBDJBGAJMSDHG-CYBMUJFWSA-N 321.469 1.710 0 40 DDAB CO[C@@H](Cc1ccccc1)CS(=O)(=O)N(C)c1ccn(C)n1 521394835 OVUJCUMTBFPULK-AWEZNQCLSA-N 323.418 1.444 0 40 DDAB CCOc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(N)=O)cc1OC 188501049 UQJUBGBYGVWVHI-AAEUAGOBSA-N 320.389 1.820 0 40 DDAB CCN(C[C@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C 79409714 JAGWFNUTVXPUTA-QWHCGFSZSA-N 313.442 1.972 0 40 DDAB CON(C)C(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 36739285 ZFIQXEMJMAPBJA-LBPRGKRZSA-N 300.305 1.739 0 40 DDAB CCCCn1nnc(NC(=S)NC(=O)c2ccccc2F)n1 33682007 PGLKWGJSFKNNKY-UHFFFAOYSA-N 322.369 1.739 0 40 DDAB CC[C@@]1(C)NC(=O)c2cc(Br)ccc2-n2nnnc21 35615806 FHMJHWJZPMXGQU-GFCCVEGCSA-N 322.166 1.793 0 40 DDAB O=C(O)c1ccc(OC[C@@H](O)CN2CCOCC23CCC3)cc1 566362917 YDPZXBWHEXLZLZ-AWEZNQCLSA-N 321.373 1.379 0 40 DDAB COC(=O)c1cc(N)c(Sc2nnc(C)n2N)c(Cl)c1 70462536 VUICAYDIKRHDMS-UHFFFAOYSA-N 313.770 1.474 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cc(C)n(-c2cccc(F)c2)n1 188639815 UNRQOGYPAHHESE-JTQLQIEISA-N 319.340 1.576 0 40 DDAB COCC(=O)N1CCC[C@@H](c2nccnc2-n2ccnc2)C1 72350613 LMOOCQJQYRPVJD-GFCCVEGCSA-N 301.350 1.015 0 40 DDAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)C1 195542320 CSZSPJORDWPHAK-XGUBFFRZSA-N 307.438 1.282 0 40 DDAB Cc1ccccc1CNC(=O)c1c(O)n2cccc(C)c2nc1=O 226822420 HNWPDLUJKIUKRC-UHFFFAOYSA-N 323.352 1.947 0 40 DDAB CC(C)S(=O)(=O)N(C)C(=O)c1cnn(Cc2ccccc2)c1 83780030 JRUVFUJJGAUJQW-UHFFFAOYSA-N 321.402 1.742 0 40 DDAB N=c1[nH]nc(CCNC(=O)Nc2nc3c(s2)CCCC3)o1 333945661 TVFLKHRRTFZHMJ-UHFFFAOYSA-N 308.367 1.182 0 40 DDAB Cc1cc(CN2C[C@H]3[C@H](Cc4nnc(C)o4)COC[C@H]3C2)no1 96065292 ZCQZUOPDYCHAMA-NFAWXSAZSA-N 318.377 1.612 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCCC1 96220285 DQAUUQFUGVSBTD-USXIJHARSA-N 315.417 1.683 0 40 DDAB O=C(NCc1nnc2ccccn12)c1n[nH]c2c1CCCCC2 96231916 NZELXFJAKGCKMR-UHFFFAOYSA-N 310.361 1.651 0 40 DDAB CS(=O)(=O)CCNC(=O)NCCc1c(F)cccc1Cl 96473421 CGBVQABVCXTFEV-UHFFFAOYSA-N 322.789 1.365 0 40 DDAB Cn1cc(CN2CC[C@@H]3CN(c4nncs4)C[C@H]3C2)cn1 96249191 RZJGUKCZBCOLAA-CHWSQXEVSA-N 304.423 1.230 0 40 DDAB Cn1ccnc1CN1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96245891 CVDLXQXSIRWEIK-GJZGRUSLSA-N 311.389 1.191 0 40 DDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)CC1CC1)C2 96219248 PWPOFUFFHIILOD-FUHWJXTLSA-N 306.450 1.993 0 40 DDAB O=C([C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21)N1CCCCO1 96040796 WUKQGKDRWZFANN-BMFZPTHFSA-N 308.422 1.677 0 40 DDAB Cc1cnc(C(=O)N2CCOC[C@@H]2c2csc(C)n2)cn1 96218670 LWWQVQUYGWPGMQ-CYBMUJFWSA-N 304.375 1.764 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1 96108303 MLLVGYRHQDWZTM-PBHICJAKSA-N 319.405 1.533 0 40 DDAB O=C(NC1CC1)[C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 97953639 SPRWTBCDOOIMEC-SOUVJXGZSA-N 306.431 1.864 0 40 DDAB COCCNc1ccnc([C@@H]2COCCN2C2CCCC2)n1 96220539 ZKGMMHSFQUPEFY-AWEZNQCLSA-N 306.410 1.851 0 40 DDAB Cc1cccc2nc(CNS(=O)(=O)CC[C@@H]3CCCO3)cn12 96472623 UEHQAHGRYPXVMZ-AWEZNQCLSA-N 323.418 1.631 0 40 DDAB NC(=O)c1cc(C[C@@H]2CCCN(Cc3cscn3)C2)ncn1 257213154 CGJACGBDQWUFBJ-NSHDSACASA-N 317.418 1.487 0 40 DDAB Cc1nccc(C[C@@H]2COCCN(Cc3cnn(C)c3)C2)n1 257333131 YAGTYGQIICHFCC-AWEZNQCLSA-N 301.394 1.210 0 40 DDAB Cc1nccc(C(=O)N2CC[C@@H](c3ncc(CN(C)C)[nH]3)C2)n1 257224934 FEAKPSJIUGLCBQ-GFCCVEGCSA-N 314.393 1.199 0 40 DDAB CC(C)c1nnsc1C(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257314303 UWIHIFHAZUNNHH-NQBHXWOUSA-N 324.450 1.379 0 40 DDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1c[nH]cn1 257304672 SMQZYABIPMCTGN-MRXNPFEDSA-N 314.389 1.824 0 40 DDAB CN1CCN(C(=O)c2cncc(C[C@@H]3CCCN(C)C3)c2)CC1 257255671 KIKPFGKKNZGHPZ-HNNXBMFYSA-N 316.449 1.354 0 40 DDAB Cn1nccc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257245852 IRIAMXAAZIFMKN-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB CCS(=O)(=O)N1CCC(c2ccnc3cc(C)nn23)CC1 257307577 SZHKXOIPAWSQAL-UHFFFAOYSA-N 308.407 1.567 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257276792 NVCXSLFCZXJQNJ-HNNXBMFYSA-N 323.356 1.875 0 40 DDAB CNC(=O)CN1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 257220853 DMLNWJIXOHZZPB-ZDUSSCGKSA-N 312.377 1.498 0 40 DDAB COCCN1CCc2oc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)nc2C1 585111440 ANFFFUFTCSSWPX-BETUJISGSA-N 321.421 1.797 0 40 DDAB O[C@@H]1[C@@H](NCCN2CCOCC2)CCC[C@H]1Oc1ccccc1 585289346 QCLLWRAYWWLTMC-RCCFBDPRSA-N 320.433 1.269 0 40 DDAB COc1ccccc1CNC(=O)CN[C@@H](C)Cn1cccn1 69387380 NEDLUDNDFHSERJ-ZDUSSCGKSA-N 302.378 1.186 0 40 DDAB COc1ccc(CNC(=O)CN[C@H](C)Cn2cccn2)cc1 69390219 KRCYGOQTCZCMHK-CYBMUJFWSA-N 302.378 1.186 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(C(=O)N3CCOCC3)C2)nc1 1775995687 DUSMXTZMRVVBEB-CQSZACIVSA-N 320.393 1.328 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1csc(-c2ncccn2)n1 55359652 QZSMGOWZKFIOBG-UHFFFAOYSA-N 319.390 1.328 0 40 DDAB C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1N1CCOCC1 76054348 KXHIFUJXWUWRTL-DOMZBBRYSA-N 316.405 1.147 0 40 DDAB COc1ccc(NC(=O)NCC(=O)NC2CCCCC2)cn1 58512876 HYLGOECCNFOSJC-UHFFFAOYSA-N 306.366 1.661 0 40 DDAB C[C@H]1CCc2ccccc2N1CCC(=O)N[C@H]1CCN(C)C1=O 107147890 CVVXNJJCLSDABN-ZFWWWQNUSA-N 315.417 1.565 0 40 DDAB O=c1c2ccccc2cnn1C[C@H](O)COCc1ccco1 42755932 FNOOPHSJUPWHJG-ZDUSSCGKSA-N 300.314 1.567 0 40 DDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCOC1 41380035 WRQKIELCPLVKDG-LLVKDONJSA-N 301.346 1.008 0 40 DDAB COc1ccc(Cl)c2c1[nH]c1nc(SCC(N)=O)nnc12 5702478 CJFYIDVQCYYRCQ-UHFFFAOYSA-N 323.765 1.746 0 40 DDAB CC[C@@H](C(=O)N(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715108 ZDNFYNMXTIZGFG-LBPRGKRZSA-N 302.371 1.459 0 40 DDAB O=C(NCCn1nc2c(cc1=O)CCCCC2)c1ccccc1 19369061 RBVKVIWKPDHRKS-UHFFFAOYSA-N 311.385 1.942 0 40 DDAB COc1ccc(NC(=O)c2nc3nccc(C)n3n2)c(OC)c1 3396354 HNHDEDMAGHNEAW-UHFFFAOYSA-N 313.317 1.702 0 40 DDAB COc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1OC 7006550 ZYLHOMGESRBTIT-UHFFFAOYSA-N 316.313 1.842 0 40 DDAB Cc1nnc2c(N3CC(Cn4cc(Cl)cn4)C3)nccn12 1889134440 LQLCZICMZQNJND-UHFFFAOYSA-N 303.757 1.419 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1nn(C)cc1Br 2770842 UJHKESFBMJCDFI-UHFFFAOYSA-N 312.171 1.188 0 40 DDAB Cc1cc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)ncn1 2086992654 KGHXHWPYEIFOCQ-UHFFFAOYSA-N 323.404 1.771 0 40 DDAB CC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479156 YURXHYFQNMLBJH-UHFFFAOYSA-N 302.721 1.825 0 40 DDAB CCC(=O)Nc1ccc(SCC(=O)Nc2cc(C)no2)nn1 11739080 QLFGKZZHMCVJPX-UHFFFAOYSA-N 321.362 1.852 0 40 DDAB COc1ncccc1C(=O)N1CC[C@H](Oc2cnsn2)C1 618257002 OJYOZCAJDPXMOT-VIFPVBQESA-N 306.347 1.235 0 40 DDAB C[C@@H](NC(=O)C(=O)NC[C@H](O)c1cccs1)c1ccccc1 75156012 RAWVMWACKZJZKL-YPMHNXCESA-N 318.398 1.775 0 40 DDAB CNC(=O)C1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 40127651 DAJADRHXHAXRHS-LLVKDONJSA-N 315.377 1.651 0 40 DDAB CC(C)(CNC(=O)[C@@H]1COc2ccccc2C1)N1CCOCC1 40473390 HINKPMPFEWOEKK-HNNXBMFYSA-N 318.417 1.465 0 40 DDAB NC(=O)[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 40480030 ZRJOSFORYBDVKI-INIZCTEOSA-N 315.417 1.620 0 40 DDAB O=C(Nc1nncs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 21213383 YQCVHXUQNQAPJA-LBPRGKRZSA-N 316.386 1.568 0 40 DDAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 332386 QIPGFAUHQAODRI-UHFFFAOYSA-N 316.386 1.584 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCSC2CCCC2)C[C@H](C)O1 32825876 OWJULBBMSFDDNR-RYUDHWBXSA-N 322.496 1.606 0 40 DDAB CCCN(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)NC1=O 32904927 QCOYVSMCWVNBPQ-ZDUSSCGKSA-N 303.362 1.413 0 40 DDAB Cc1cc(C(N)=O)ccc1NCC(=O)NC(=O)NC1CCCC1 32913405 WUZQWRKYJROTET-UHFFFAOYSA-N 318.377 1.274 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 103037325 MHSDXHURANOMDH-WDEREUQCSA-N 316.835 1.989 0 40 DDAB CN1N=C(C(=O)Nc2nc3c(s2)CCCCC3)CCC1=O 22376011 XBSPRJSOMPVOOB-UHFFFAOYSA-N 306.391 1.959 0 40 DDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863913 SUSYQZXBTYFEGH-ZUZCIYMTSA-N 323.418 1.676 0 40 DDAB COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccccc1OC 42266862 ZTPYTRLDUVHPDQ-SNVBAGLBSA-N 301.364 1.125 0 40 DDAB c1cc2n(n1)C[C@H](CNCc1ccc(N3CCCC3)nc1)CN2 58328433 DBEVKVNXYNMZPA-OAHLLOKOSA-N 312.421 1.710 0 40 DDAB COCCn1c(C)cc(C(=O)CN2C(=O)CSC2=O)c1C 10682953 UHQUVZYOHAGXDP-UHFFFAOYSA-N 310.375 1.629 0 40 DDAB CC(C)(CO)NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 814887 BPRAYNSUVCUYIQ-NSHDSACASA-N 314.744 1.859 0 40 DDAB C[C@H](Cn1cc(Br)cn1)C(=O)NC[C@H]1CCCO1 2803989 PNLMURVGHNBORP-MWLCHTKSSA-N 316.199 1.577 0 40 DDAB CC1CCN(CCNS(=O)(=O)c2ncn(C)c2Cl)CC1 40436028 REBSISDRYDJBJC-UHFFFAOYSA-N 320.846 1.084 0 40 DDAB COC(=O)CCN1CCN(Cc2cc(OC)ccc2OC)CC1 40461054 FLBVBWXIFWYIFX-UHFFFAOYSA-N 322.405 1.385 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)n2ncnc2N[C@@]1(C)O 6822293 UJUIRZOSFAEDOK-DYEKYZERSA-N 306.753 1.860 0 40 DDAB Cc1nnc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)[nH]c1=O 138364 BQIIMOYMWSYOJW-UHFFFAOYSA-N 312.333 1.015 0 40 DDAB COCCNC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124366 JRWGLKYHASZWMV-GMLZMKKNSA-N 315.369 1.809 0 40 DDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@H]3CCOC3)C2)no1 107503553 RZRXEEGMZLOTEB-KGLIPLIRSA-N 322.409 1.091 0 40 DDAB COC(=O)c1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1 101606320 QTSFWMJDDBNAOZ-LLVKDONJSA-N 300.274 1.048 0 40 DDAB C[C@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 32777722 HZEVAEKEMHTYAA-OAHLLOKOSA-N 323.462 1.706 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 41126235 QHPKNUDRFNOTKR-JTQLQIEISA-N 302.309 1.163 0 40 DDAB COC(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 50914229 UAGMLGQKPYCMOT-ZDUSSCGKSA-N 303.424 1.229 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 32947786 AVVZKRPKXWWWQN-CYBMUJFWSA-N 317.389 1.765 0 40 DDAB CC[C@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 32904504 SHJMYKYXODHVEQ-ZDUSSCGKSA-N 315.373 1.381 0 40 DDAB O=C(NCCCn1cccn1)C1CCN(C(=O)C2CC2)CC1 45905403 SIRIQTBTAILDPU-UHFFFAOYSA-N 304.394 1.038 0 40 DDAB C[C@H]1CCc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C1 29788804 OANWVGZVPAQGQS-QMMMGPOBSA-N 306.391 1.815 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1cccc(C(F)(F)F)c1 53111219 URWLLZBAHNXGNA-SECBINFHSA-N 317.311 1.981 0 40 DDAB CCOc1ccc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 22546344 BUQVASPJOCUCKD-OAHLLOKOSA-N 311.403 1.321 0 40 DDAB CCOC(=O)N1CCN(CC(=O)c2ccc(O)c(C)c2O)CC1 22625840 GVIWAKJEPAZODG-UHFFFAOYSA-N 322.361 1.363 0 40 DDAB Cc1ccc(NCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(F)c1 22893928 OXVVSHZMVURFOX-CQSZACIVSA-N 314.382 1.239 0 40 DDAB Clc1cccc(N2CCN(Cc3nnnn3C3CC3)CC2)c1 29922679 UJENEWSDQQRASB-UHFFFAOYSA-N 318.812 1.984 0 40 DDAB COc1ccc(CNC(=O)[C@@H](NC(N)=O)C(C)C)cc1OC 2726320 QEZXNWQSRPEAOD-ZDUSSCGKSA-N 309.366 1.013 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCCO1)n1cc(Br)cn1 28224399 VAVCXLKAVMOAKO-SCZZXKLOSA-N 302.172 1.502 0 40 DDAB CC(C)OC(=O)CCNC(=O)[C@H]1Cc2ccccc2C(=O)O1 54461325 OPYPXZXFRYQWAL-CYBMUJFWSA-N 305.330 1.226 0 40 DDAB NC(=O)c1cc(-c2csc(NC(=O)C[C@H]3CCCO3)n2)c[nH]1 47076488 CKHLXGVXNMVEMF-SECBINFHSA-N 320.374 1.745 0 40 DDAB CCN(CC)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 24745525 JAQKUBGMUNYYGB-GFCCVEGCSA-N 310.419 1.906 0 40 DDAB COc1ccc(COC[C@H](O)CN2C[C@@H](C)OC[C@@H]2C)cc1 106558641 QSNMVUBKZMGOPG-SQWLQELKSA-N 309.406 1.682 0 40 DDAB CN1CCCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 67283460 LUNPSAQOUNPLBY-UHFFFAOYSA-N 319.796 1.698 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)C2CC2)CC1 25169135 FMAYFRJOTRCTJK-UHFFFAOYSA-N 318.421 1.050 0 40 DDAB COc1cc(OC)c([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 62712686 IUPYXDQHHMQQBS-BZPMIXESSA-N 324.421 1.821 0 40 DDAB CNC(=O)CN(C)C(=O)c1cc(-c2ccccc2OC)on1 47527578 TZFXQUUKWIIPJW-UHFFFAOYSA-N 303.318 1.168 0 40 DDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](N2CCNC2=O)C1 107317551 ULFIQQWAUZEFJG-BYNSBNAKSA-N 305.422 1.829 0 40 DDAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(O)c1 25983931 AXTXXFYZNSPMAH-GFCCVEGCSA-N 315.325 1.971 0 40 DDAB c1cc(CNC[C@H]2CNc3ccnn3C2)cc(Cn2ccnc2)c1 58291749 FTFUWNVMVXMTSL-KRWDZBQOSA-N 322.416 1.959 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCO2 58215414 QZIWNFUUYHJZTM-JTQLQIEISA-N 300.314 1.972 0 40 DDAB C[C@@H]1COCCN1C(=O)NCCOc1ccc2c(c1)OCO2 44972024 FPVFAKLUYJDMMH-LLVKDONJSA-N 308.334 1.224 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CCOC3)cn2)n1 44919025 WYVYTIOIUAWOQX-ZDUSSCGKSA-N 300.362 1.650 0 40 DDAB COc1ccc(-c2nnc([C@@H](C)N3CC[C@H](C(N)=O)C3)o2)cc1 48039222 GHJMYPKJMUEHLH-PWSUYJOCSA-N 316.361 1.613 0 40 DDAB COc1ccc(CN2CCO[C@@]3(CCCN(C(C)=O)C3)C2)cc1 63527614 HRFFRDCRPOPCDA-SFHVURJKSA-N 318.417 1.909 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC1CCCC1 48211155 DKHJCOSFQIYKQO-UHFFFAOYSA-N 312.373 1.742 0 40 DDAB O[C@@](Cc1nnn[nH]1)(c1nc2ccccc2s1)C(F)(F)F 48252114 IIVSXEZDALOZHP-JTQLQIEISA-N 315.280 1.802 0 40 DDAB CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c1 3521372 XMZIBXWSZQBRQS-NSHDSACASA-N 306.362 1.963 0 40 DDAB COC(=O)C[C@@H]1S/C(=C/C(=O)Nc2ccc(C)cc2)NC1=O 3768423 NMFGTPKUQLJWOD-ZWSXMNCCSA-N 320.370 1.570 0 40 DDAB CC(C)Oc1ccc(CNC(=O)N[C@@H](C)Cn2cccn2)cn1 49222776 QZLHXBSEGYGLDE-ZDUSSCGKSA-N 317.393 1.953 0 40 DDAB C[C@@H](C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)N1C(=O)CCC1=O 68032420 VUTMMLYFNIOQJL-OMXXWXSESA-N 304.390 1.561 0 40 DDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC(C(N)=O)CC1 8317990 UDHCUZPJGITIRD-NSHDSACASA-N 307.369 1.028 0 40 DDAB COc1ccc(OC)c(CNCCNC(=O)c2ccco2)c1 4498103 UEKCNEWQFLHXLJ-UHFFFAOYSA-N 304.346 1.816 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 65553601 FBDXFYNGRLQPGQ-LBPRGKRZSA-N 322.434 1.943 0 40 DDAB COc1ccc(Cl)cc1CN1CCN([C@@H]2CCOC2=O)CC1 69438254 ATKNYTNSTDULLB-CQSZACIVSA-N 324.808 1.782 0 40 DDAB CCn1nnc2cc(C(=O)N3CCC(C(=O)OC)CC3)ccc21 6602148 CVFPIYPRLOVCNQ-UHFFFAOYSA-N 316.361 1.476 0 40 DDAB Cc1cccc2c(=O)[nH]c(CSc3nnnn3C3CC3)nc12 8013274 OZDHSBOIXRYAQZ-UHFFFAOYSA-N 314.374 1.845 0 40 DDAB Cn1nnnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 4807817 ZGRIJFHUNJMXAR-UHFFFAOYSA-N 307.423 1.387 0 40 DDAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)c1cn2cccnc2n1 69737558 UWKKSGFZACWTGH-UHFFFAOYSA-N 322.284 1.325 0 40 DDAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306137951 RKUDLKQORDQGRO-CQSZACIVSA-N 302.374 1.878 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N([C@@H]2C[C@H](C)OC2=O)C1=O 9336017 ACQQINPHKWWUOR-KANYHAFZSA-N 302.330 1.548 0 40 DDAB Cc1cc(C)n(C2CN(CC(=O)NCCc3cccs3)C2)n1 71880741 KGNCJOBPDZGTGO-UHFFFAOYSA-N 318.446 1.777 0 40 DDAB O=C1CN(NC(=O)CC2CCC(c3ccccc3)CC2)C(=O)N1 71888458 PBAGROWUJHGPMI-UHFFFAOYSA-N 315.373 1.934 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)OCc2nnnn2-c2ccccc2)cn1 71859325 JRTDNWSOLYFJIZ-KBPBESRZSA-N 324.344 1.243 0 40 DDAB Cc1cc(F)ccc1NC(=O)N[C@H]1CCCS(=O)(=O)C1 71921981 NQCYBYNIMIMYKK-NSHDSACASA-N 300.355 1.833 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(N)=O 75137269 SIKNJHTUXSBHCN-LDYMZIIASA-N 321.406 1.173 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(N)cc(=O)[nH]2)c1C 9767626 QESBAAXDFVTQMT-UHFFFAOYSA-N 320.374 1.475 0 40 DDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)c(C)o1 306125460 CRWKIELPYBFYLC-AWEZNQCLSA-N 316.405 1.927 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 97051665 QLEGXGHTIBHJEZ-NSHDSACASA-N 320.817 1.993 0 40 DDAB COCC(=O)N1CCN(C(=O)c2ccc3ncccc3c2)CC1 72278442 UFXLZLZDENPKJE-UHFFFAOYSA-N 313.357 1.166 0 40 DDAB O=C1CCCN1C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCO1 72278016 NEIJWHKTCZLNPW-KGLIPLIRSA-N 309.410 1.352 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F 89768353 PFXIZZMFMYIZDD-LLVKDONJSA-N 320.773 1.259 0 40 DDAB CCc1ccsc1C(=O)OCCn1ncc(C(N)=O)c1N 72310649 KWTZEXOQDQSJEN-UHFFFAOYSA-N 308.363 1.045 0 40 DDAB O=c1cnc2cc(F)c(F)cc2n1CCOC[C@H]1CCCO1 72302566 YBINBNQKANUORW-SNVBAGLBSA-N 310.300 1.870 0 40 DDAB CC(C)OC[C@H](O)CN1CCN(Cc2cccc(O)c2)CC1 89887788 XDIWEKHJQJQUIM-QGZVFWFLSA-N 308.422 1.296 0 40 DDAB CCN1C(=O)N[C@@](C)([C@@H]2CCCN(CCOCC3CC3)C2)C1=O 95402629 QFIVQMNOWLSRNT-PBHICJAKSA-N 323.437 1.455 0 40 DDAB Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H](C)N1CCSCC1 95434516 FZRLRXIFBQGTGL-JQWIXIFHSA-N 311.451 1.948 0 40 DDAB C[C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCSCC1 95435581 PRSORINBONCPGT-KGLIPLIRSA-N 320.462 1.214 0 40 DDAB O=C(c1[nH]nc2c1CCCC2)N1CCS[C@@H]2COCC[C@@H]21 95425959 UXHRIDXEBVYHKZ-QWHCGFSZSA-N 307.419 1.635 0 40 DDAB CCOC(=O)NCCNC(=O)Nc1ccc(-n2nccn2)cc1 75605907 HCNIRSCEGMFNFU-UHFFFAOYSA-N 318.337 1.135 0 40 DDAB Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1CCS(=O)(=O)C1 76833867 OJBUQWKGZWATOY-CQSZACIVSA-N 309.431 1.867 0 40 DDAB COC(=O)CCN1CCN(C(=O)c2sccc2C)[C@H](C)C1 95984613 DEZNURHWANWAKA-GFCCVEGCSA-N 310.419 1.766 0 40 DDAB Cc1nc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)s1 95976010 WVGRKYAGCLNPSQ-IUCAKERBSA-N 319.452 1.204 0 40 DDAB Cc1nnnn1-c1cccc(C(=O)NCCc2ccccn2)c1 79498407 IKBYGMSQMLZOAP-UHFFFAOYSA-N 308.345 1.338 0 40 DDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1ccco1 79478993 KHDIPGQOPMISPR-UHFFFAOYSA-N 317.393 1.966 0 40 DDAB O=C(CNC(=O)c1ccnc2ccccc12)NCC(F)(F)F 79680447 PKJBBPCFDBIUBS-UHFFFAOYSA-N 311.263 1.643 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cn(-c2cccc(Cl)c2)nn1 67264183 LOWLRTIJHLKKIQ-LBPRGKRZSA-N 306.753 1.830 0 40 DDAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 408733404 IFZHBBLWIXHJRF-VZAMPYOESA-N 319.744 1.535 0 40 DDAB O=C(O)C1=NC2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 33837945 SINTYOCGLUYQQO-CAHLUQPWSA-N 318.280 1.783 0 40 DDAB CN1C(SCc2ccc(F)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32508611 VRVUGBVWDBRWNP-VXGBXAGGSA-N 314.407 1.526 0 40 DDAB Cc1cc(C)cc(OCCN(C)C(=O)CN2NC(=O)C[C@H]2C)c1 521395227 CVPXSCHJHSZRQQ-CQSZACIVSA-N 319.405 1.266 0 40 DDAB CCN(CC)CCCNC(=O)c1cnc2sccn2c1=O 32611589 PJDQIDSBJZCGAS-UHFFFAOYSA-N 308.407 1.218 0 40 DDAB COc1cccc(NC(=O)NCc2cnc(N(C)C)n2C)c1 79358797 UFBHGYLMPLFKNT-UHFFFAOYSA-N 303.366 1.816 0 40 DDAB Cc1ccc(O)c(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1 79358594 JSTXFZQRHXFOTG-UHFFFAOYSA-N 324.446 1.273 0 40 DDAB Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)noc1C 72242684 KKOWWENQLXWZQY-ZDUSSCGKSA-N 322.390 1.746 0 40 DDAB CN1CCN(S(=O)(=O)c2cn(C)cn2)C[C@H]1c1ccccc1 72366747 PFSLSBZUTNDKOE-AWEZNQCLSA-N 320.418 1.098 0 40 DDAB Nc1nccc([C@@H]2CCCN(C(=O)[C@H](N)c3ccccc3)C2)n1 72355910 PWKMXJUPFPRKKA-UKRRQHHQSA-N 311.389 1.465 0 40 DDAB COCCNC(=O)N(C)C1CCN(c2cc(C)nc(C)n2)CC1 78602730 OGNAKVWPZBXTCJ-UHFFFAOYSA-N 321.425 1.350 0 40 DDAB CNC(=O)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 40487830 JLBGWLLFQDMIDY-UHFFFAOYSA-N 306.753 1.548 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 32848491 WNQLWISAABRCBU-ZDUSSCGKSA-N 313.361 1.155 0 40 DDAB O=c1[nH]c(NCCCOC2CCOCC2)nc2ccccc12 78338812 JQZIJXFTFKICOO-UHFFFAOYSA-N 303.362 1.921 0 40 DDAB O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@H]1CCCOC1 80084350 IZIRAUZCISPRFZ-LBPRGKRZSA-N 301.346 1.193 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc21 226859642 WMRIHMKBZBHEKI-UHFFFAOYSA-N 302.311 1.371 0 40 DDAB CC(=O)Nc1nc(Cn2cnc(C3CCC3)cc2=O)cs1 89705716 FUKBSEJAEOAUND-UHFFFAOYSA-N 304.375 1.974 0 40 DDAB CCN(CC)C(=O)Cn1cc(COc2cccc(F)c2)nn1 227169731 KQLOBJBHOCYRJQ-UHFFFAOYSA-N 306.341 1.865 0 40 DDAB O=C1C[C@@H](NC(=O)NC(c2ccccc2)c2ccccc2)CN1 75158319 FJYXBMBMCNYIJP-OAHLLOKOSA-N 309.369 1.964 0 40 DDAB O=C(NCc1noc(C2CC2)n1)c1cc(O)nc(C2CC2)n1 570408625 FFQDBXNQXNKPOU-UHFFFAOYSA-N 301.306 1.250 0 40 DDAB COCc1cc(F)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 190410882 BUOUTEGKYIGAJL-GFCCVEGCSA-N 319.340 1.700 0 40 DDAB CN(C)c1nccc(CNS(=O)(=O)c2ccccc2F)n1 224240333 IOTVQWPRJAZDMS-UHFFFAOYSA-N 310.354 1.160 0 40 DDAB CCN(C)S(=O)(=O)NC[C@@H](O)c1cc2ccccc2s1 95433408 MUVMPNCZLRCRJJ-LLVKDONJSA-N 314.432 1.721 0 40 DDAB CC[C@@H](C)n1[nH]c(=NC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1C 332805285 ASBBKDPDZWGJOL-MFKMUULPSA-N 316.409 1.987 0 40 DDAB Cc1cnc(N2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)nc1 96199716 WBEUAHKPBGOTHP-OAHLLOKOSA-N 323.400 1.823 0 40 DDAB Cc1ccc(Br)cc1C(=O)N1CCCS1(=O)=O 96441815 JIXSEYHMQSOLEY-UHFFFAOYSA-N 318.192 1.933 0 40 DDAB O=C(O)COCCNC(=O)c1cc(F)cc(Br)c1 93227657 DAWJERGQHVAMDZ-UHFFFAOYSA-N 320.114 1.419 0 40 DDAB C[C@@H](Nc1ccc2nnnn2n1)[C@@H](O)c1ccc(F)c(F)c1 96452699 ZUXKXWIXFWHNRE-FUXBKTLASA-N 306.276 1.332 0 40 DDAB CS(=O)(=O)N1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 96108760 OSBRCKQGJHGCEG-ZIAGYGMSSA-N 303.424 1.101 0 40 DDAB O=C(NCc1cnc2n1CCN(C(=O)c1ccoc1)C2)C1CC1 96061930 KXCZYZFLYOJNPO-UHFFFAOYSA-N 314.345 1.158 0 40 DDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cnoc1C 238837263 GZZSZRFSSCSDCU-KRWDZBQOSA-N 316.357 1.946 0 40 DDAB O=C(N[C@H]1CCc2[nH]c(=O)ccc2C1)c1ccc2c(c1)OCO2 96089168 XJYGASZDRWGCDL-LBPRGKRZSA-N 312.325 1.391 0 40 DDAB O=C([C@H]1CCCO1)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246173 GPCSNEXLUHBWBS-SQWLQELKSA-N 301.390 1.545 0 40 DDAB Cn1cc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cccc2)cn1 248161220 XQSCRTMDXYYEIP-IXDOHACOSA-N 300.406 1.901 0 40 DDAB O=C(NCc1ccco1)[C@H]1CN(C2CCC2)Cc2cncn21 247501844 QGECYAQYKMDSPT-OAHLLOKOSA-N 300.362 1.702 0 40 DDAB CC(C)C(=O)N1CC[C@@H](Cc2cncc(-c3nccn3C)n2)C1 257289681 PZTXCMWXXGVFOB-ZDUSSCGKSA-N 313.405 1.924 0 40 DDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)c2cccnc2)C1 257227095 FNPCOUMNIKEDAB-HZPDHXFCSA-N 301.390 1.945 0 40 DDAB CCOCC(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257328898 XHNDNFLPICVRJX-HOCLYGCPSA-N 311.353 1.593 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]21 257303199 SGEKOHGLCPCVRC-MBNYWOFBSA-N 312.377 1.187 0 40 DDAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257228495 FUCJKYMGIXILIZ-MGPQQGTHSA-N 323.462 1.949 0 40 DDAB CNc1nccnc1[C@@H]1CN(c2nc(C)cc(C)n2)CCO1 257231740 GHZVLUNHLWDZTE-LBPRGKRZSA-N 300.366 1.503 0 40 DDAB CN1CCN(c2nn(-c3ccccc3Cl)nc2C(=O)O)CC1 256046596 GYZLLMKAOWJEBY-UHFFFAOYSA-N 321.768 1.371 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccsc3)CCO2)n1 257330847 XQHAEURXKXWMJH-NSHDSACASA-N 305.359 1.766 0 40 DDAB O=C(CCc1cccs1)N1CC[C@](O)(CN2CCCC2)C1 257314565 UXMJCDWDABEJOW-INIZCTEOSA-N 308.447 1.740 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(Br)c1 50242083 GULRENMMZOXTEK-SECBINFHSA-N 319.224 1.479 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cncc(-c3cc(C)n[nH]3)n2)C1 257327058 WZSGBEDNQCSHKV-GFCCVEGCSA-N 315.377 1.528 0 40 DDAB Cc1ccc(F)cc1NC(=O)CS(=O)(=O)c1nccn1C 40555240 SDZAFPDAJYJKJT-UHFFFAOYSA-N 311.338 1.280 0 40 DDAB O=S(=O)(NCCCn1cccn1)c1cc(F)cc(F)c1 40504550 ZKRBFQCGHWGDPD-UHFFFAOYSA-N 301.318 1.530 0 40 DDAB CS(=O)(=O)N1Cc2cccn2C[C@H](CCOCC2CC2)C1 585095055 BWEBOTVMJIEOQE-AWEZNQCLSA-N 312.435 1.696 0 40 DDAB CN1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(F)c1 585281249 VCMLJESRIMRJBI-KBPBESRZSA-N 300.399 1.380 0 40 DDAB CCOCC[C@H]1CN(C(=O)c2cnccn2)Cc2cccn2C1 585095086 DJRAPDZLCZXNFQ-CQSZACIVSA-N 314.389 1.977 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cscn3)CCO2)n1 76046219 UNIOVSFPNICBJO-JTQLQIEISA-N 307.379 1.427 0 40 DDAB Nc1ccc(N2CCN(c3cc(Cl)nc(N)n3)CC2)cn1 71893745 QWVYORBNLFCKMB-UHFFFAOYSA-N 305.773 1.016 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CO)C2)cc1OCC 85468734 QSWWLEQSSAIKDM-HZSPNIEDSA-N 323.389 1.346 0 40 DDAB O=C1CCN(C(=O)C(F)(F)F)C[C@H]1OCc1ccccc1 96102752 FQOKIPQUQDKMKS-GFCCVEGCSA-N 301.264 1.936 0 40 DDAB COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 172342863 VDEQDWAXBYPURZ-QGZVFWFLSA-N 322.405 1.652 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCN(c2ccccc2F)CC1 11932519 AORMYKUTIXUKAA-UHFFFAOYSA-N 302.353 1.830 0 40 DDAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CC(C)C)C3)cc1 12346287 UDAUBKMECPUEEL-OAHLLOKOSA-N 315.373 1.801 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1 19169072 BDWDTLYDBYXHJH-UHFFFAOYSA-N 304.371 1.905 0 40 DDAB O=C(CSc1ncccn1)N1CC(Oc2nccs2)C1 206920905 BVEBWBOHDCKNJI-UHFFFAOYSA-N 308.388 1.315 0 40 DDAB C=CC(=O)O[C@@H](C)CO[C@H](C)COC[C@@H](C)OC(=O)C=C 100355848 ZDQNWDNMNKSMHI-UPJWGTAASA-N 300.351 1.644 0 40 DDAB CCOc1ccccc1/C=C/C(=O)O[C@H](C)C(=O)NC(=O)NC 6009984 YXGKATULHFESLP-PBQZMEPESA-N 320.345 1.486 0 40 DDAB Cc1ccc(S(=O)(=O)NCCc2ccccn2)cc1C(N)=O 26747194 YOVZFQKOIXCMCW-UHFFFAOYSA-N 319.386 1.010 0 40 DDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cnc2ccccc2n1 238963533 YTAGZCASVWZVRE-OAHLLOKOSA-N 310.361 1.676 0 40 DDAB Cc1nc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cs1 2037980864 KOVIXOZSXGAKKO-OAHLLOKOSA-N 309.435 1.665 0 40 DDAB COc1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1OC 12234421 JNLRXDKDDOUNQU-UHFFFAOYSA-N 316.273 1.994 0 40 DDAB Cc1csc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)n1 13520370 ZGMYMAIZFHPIDZ-UHFFFAOYSA-N 322.375 1.142 0 40 DDAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccoc2)CC1 2055708083 DXHSOBSJZBJXDX-UHFFFAOYSA-N 302.378 1.556 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)CCc2ccccc2)CC1 43979562 YWNVDGWGGXRIRM-UHFFFAOYSA-N 324.446 1.407 0 40 DDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 103505573 APBMGWJHCNYEHN-HIFRSBDPSA-N 324.340 1.017 0 40 DDAB COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)cc1 490692 FJYXARRGVVGTHV-OAHLLOKOSA-N 315.325 1.827 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CCCCCC1=O 69902019 ZZKZBYBQNVGXGF-CABCVRRESA-N 307.438 1.474 0 40 DDAB Cn1nc(CN2C(=O)[C@@H]3C=CC=C[C@H]3C2=O)cc1C(F)(F)F 100805155 IVBCQMMVAYPOLR-NXEZZACHSA-N 311.263 1.666 0 40 DDAB Cc1nc(C(=O)N2CCOC[C@H]2C)nn1-c1ccc(F)cc1 40509712 VYZWKUZGJHGAGF-SNVBAGLBSA-N 304.325 1.576 0 40 DDAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](C)C(C)C)nc2n1 3552979 ABHCGVPVPYDKJJ-NSHDSACASA-N 307.423 1.994 0 40 DDAB NC(=O)CCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O 40501869 NEFHQFPAIBRVTJ-UHFFFAOYSA-N 320.352 1.848 0 40 DDAB CSc1ccc(-c2nnnn2[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)cc1 4127344 RUFAIAXJOQYVIR-OSMZGAPFSA-N 318.358 1.317 0 40 DDAB COC(=O)CN1C(=O)N/C(=C/c2cn(C)c3ccccc23)C1=O 4933190 HXDRPLTVJJAOIV-KPKJPENVSA-N 313.313 1.244 0 40 DDAB Cc1ccc(C(N)=O)c(OCc2cc(=O)n3ccc(C)cc3n2)c1 45681348 MTWPVRIFWOTWFC-UHFFFAOYSA-N 323.352 1.989 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1C[C@@H]1C 7723477 LOLYJLKFFUOGST-GXSJLCMTSA-N 312.391 1.540 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 102688421 WYHMLJNHFVVVQG-DHPDLVEQSA-N 301.273 1.109 0 40 DDAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CO)CC1 46091298 PPCHFVJTBHGVSC-CYBMUJFWSA-N 308.397 1.577 0 40 DDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NC[C@@H]1CCOC1 41369355 NWHVUSYLQLDBMV-JTQLQIEISA-N 324.764 1.218 0 40 DDAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc(Br)c1 100173553 QEZKEHCEVBLRMB-FIQHERPVSA-N 320.142 1.892 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 9858398 XESWETBNNAWNMR-UHFFFAOYSA-N 322.368 1.538 0 40 DDAB Cn1cc(CNC(=O)N2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cn1 102695350 UFIVOAFNBCQCEZ-FVQBIDKESA-N 317.437 1.436 0 40 DDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ncccc1O 22262588 VOJASYQHPUVWGU-UHFFFAOYSA-N 324.340 1.985 0 40 DDAB C[C@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1 110674603 KNZGEPYVGSFWQC-YIDVYQOGSA-N 310.438 1.560 0 40 DDAB CN(C)c1nc(N)nc(COc2cccc(Br)c2)n1 16341155 RNXNSLOVFQHGEX-UHFFFAOYSA-N 324.182 1.861 0 40 DDAB O=C([C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 23409017 HVSVJKJMVMYOJB-HOTGVXAUSA-N 304.390 1.043 0 40 DDAB CCc1nnc(COC(=O)c2ccc(S(C)(=O)=O)cc2)o1 24038395 VBXKSCIAFWNRGZ-UHFFFAOYSA-N 310.331 1.393 0 40 DDAB CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 37507128 RJEQTGMMXXXANP-NSHDSACASA-N 311.179 1.800 0 40 DDAB COc1ccc(C(=O)NCC(=O)Nc2cc(C)n[nH]2)cc1OC 47555503 JLBXWSJBHZZDKI-UHFFFAOYSA-N 318.333 1.104 0 40 DDAB CNC[C@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 61864033 XFWDEJAVGCLOOQ-SNVBAGLBSA-N 312.211 1.916 0 40 DDAB O=C(N[C@H](C(=O)O)c1ccccc1)[C@@H]1COc2ccccc2O1 35686321 OZHKYPAKGCGEFO-GJZGRUSLSA-N 313.309 1.769 0 40 DDAB CN(C)/C(=C1\N=C(c2ccccc2)OC1=O)N1CCOCC1 27529794 IIFCIYMSTHHXQR-FYWRMAATSA-N 301.346 1.053 0 40 DDAB Cc1ccc(C(=O)NCc2noc(-c3cccs3)n2)c(=O)[nH]1 75125956 PWKZPDVZMSFOHH-UHFFFAOYSA-N 316.342 1.725 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](C(N)=O)C1 58213898 BNPTXOPSXURQSB-HIFRSBDPSA-N 303.406 1.915 0 40 DDAB Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 44966652 YOBUPOZRXOXOMO-WDEREUQCSA-N 300.380 1.478 0 40 DDAB CCN(CC)c1ccc(CNC(=O)c2ccn(C)c(=O)c2)cn1 44952595 ZMMBXKNNGGTHSQ-UHFFFAOYSA-N 314.389 1.557 0 40 DDAB C[C@H](c1c(F)cccc1F)n1cnc2c1c(=O)n(C)c(=O)n2C 44978129 RHYDLNOQICKGQB-MRVPVSSYSA-N 320.299 1.321 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1 10660694 ZBGLFGYLJLDVJI-UHFFFAOYSA-N 318.345 1.119 0 40 DDAB CCN1CCN([C@H](C)C(=O)NCc2ccc(OC)cc2)CC1 22585927 SFIDVRDSNBCKTJ-CQSZACIVSA-N 305.422 1.337 0 40 DDAB CN1CCN(C2CCN(Cc3noc(C(C)(C)C)n3)CC2)C1=O 75131540 WPKKTJTWGVZHDR-UHFFFAOYSA-N 321.425 1.699 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCCCCC1 3341905 ZKNKMDZWVOHLFW-LBPRGKRZSA-N 322.361 1.344 0 40 DDAB C[C@H](Sc1nnnn1C)C(=O)N[C@H]1CCCc2ccccc21 3350838 IVBFTZSPDPRBTJ-GWCFXTLKSA-N 317.418 1.885 0 40 DDAB Cc1ccccc1CN(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1 13002455 LTCIQJOFENVZKJ-MRXNPFEDSA-N 324.446 1.120 0 40 DDAB CCCCn1nnnc1COC(=O)c1n[nH]c2ccccc12 5184955 SQFCTBFWSDJXIY-UHFFFAOYSA-N 300.322 1.707 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69418573 IGFANABXTGYSKE-UONOGXRCSA-N 322.434 1.276 0 40 DDAB CCOC(Cn1cc(C(=O)NC(C2CC2)C2CC2)nn1)OCC 65562133 NXPSLKJMLGTLOC-UHFFFAOYSA-N 322.409 1.596 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCOc2ccccc21 14160375 IHFVNDVSCVHSMB-MRXNPFEDSA-N 324.380 1.985 0 40 DDAB NC(=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1 14141637 AELUPFGVGYOUJP-UHFFFAOYSA-N 311.750 1.913 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1 69666338 OKNRNJSTMGCPJH-HNNXBMFYSA-N 322.430 1.652 0 40 DDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc[nH]c2=O)[C@@H]1C 4864516 MTPIQBXMVJUTCD-NQBHXWOUSA-N 306.362 1.473 0 40 DDAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(O)=NC(=O)[C@@H]32)c1C 67240408 YMQJXZKOIKIOOX-VXGBXAGGSA-N 301.306 1.159 0 40 DDAB COc1cc(C)nc(N2CCN(C(=O)c3cc(C)no3)CC2)n1 69846893 FYRJKBWHCSMBSH-UHFFFAOYSA-N 317.349 1.052 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cccc(O)c1)C(=O)OC 7101435 DJTULOINOYHLCN-QMTHXVAHSA-N 323.345 1.253 0 40 DDAB COC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)c1c(F)cccc1F 69808432 QVKIKENVOHATRG-MRVPVSSYSA-N 319.329 1.679 0 40 DDAB Cc1ccc(F)c(NC(=O)C(=O)NCc2ccccc2CO)c1 69875699 DXVBLDLIWPCBDK-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1ccc(Br)s1 7377028 WVZFIJGDOBUHQR-LURJTMIESA-N 314.226 1.824 0 40 DDAB CC(C)OC[C@@H](O)CN1CCN(CCc2ccccn2)CC1 71279198 WOSHATPSRLJFHQ-KRWDZBQOSA-N 307.438 1.028 0 40 DDAB CCO[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 71825558 RDETXWMEQSXBTJ-ZDUSSCGKSA-N 315.373 1.424 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 71870684 WFNXEVRPDVPRJP-ZDUSSCGKSA-N 304.394 1.231 0 40 DDAB NC(=O)c1csc(CN2CCN(c3ncccc3F)CC2)c1 93687662 FFORFMUVVQSKJC-UHFFFAOYSA-N 320.393 1.703 0 40 DDAB Cc1cccc(C(=O)NCCC(=O)Nc2nnc(C)s2)c1 9300317 RTDKCORNQCXBHZ-UHFFFAOYSA-N 304.375 1.914 0 40 DDAB CCc1ccc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)cc1 20028253 QJEBGBRLHQHDRD-SNVBAGLBSA-N 319.390 1.059 0 40 DDAB O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCOC1 89794214 CRVBBSKANWDQTC-VIFPVBQESA-N 304.268 1.632 0 40 DDAB Cc1nc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)sc1C 75498013 GFZNRGHWRIBGLO-ZDUSSCGKSA-N 324.450 1.946 0 40 DDAB CCS(=O)(=O)NCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 97034481 SFMUYFKNMBJQIL-XQQFMLRXSA-N 304.456 1.109 0 40 DDAB CCC[C@H]1SCCN1C(=O)c1ccc(S(=O)(=O)NC)o1 72288332 WUKPVEPNSOFVAG-SNVBAGLBSA-N 318.420 1.503 0 40 DDAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)C(=O)N1CCOCC1 72299769 IVEJRBONDNVZLL-GXTWGEPZSA-N 306.410 1.117 0 40 DDAB O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1Cc2ccccc2O1 72291553 MTSDQJVGNFUAHN-AWEZNQCLSA-N 307.313 1.605 0 40 DDAB CCCc1nc(CNC[C@@H]2CCCN2c2cccnn2)no1 72276779 MMGHWIGTQVPLMA-LBPRGKRZSA-N 302.382 1.571 0 40 DDAB COCCOc1ccc(NC(=O)N2CCN(C)C[C@H]2C)cn1 89938194 LRQXEJFCPRMDAI-GFCCVEGCSA-N 308.382 1.275 0 40 DDAB CC(=O)N1CC[C@H](NS(=O)(=O)c2c(F)cccc2Cl)C1 97147120 JDHHBWMHRMLUQJ-VIFPVBQESA-N 320.773 1.378 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccn(-c2ccc(F)cc2)n1 75719112 HBAQUPNOFKBFPH-CABCVRRESA-N 319.336 1.120 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1C 76020308 SJRWJDMABOPSCJ-ZIAGYGMSSA-N 310.419 1.801 0 40 DDAB CC(C)OC(=O)CNC(=O)c1ccccc1OCCN(C)C 95351004 VFEBBMSODXJPBG-UHFFFAOYSA-N 308.378 1.308 0 40 DDAB CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCOc3ccccc32)C1 84791015 QHNJSEVYXASCHO-OCCSQVGLSA-N 317.389 1.473 0 40 DDAB O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1 95436053 CYGNPJITXWSHEI-ZBFHGGJFSA-N 321.398 1.450 0 40 DDAB Cc1nn(C)c2nc3c(c(C(=O)NC[C@@H]4CCCO4)c12)CCC3 95473827 FOZSSCURQQWIQN-NSHDSACASA-N 314.389 1.674 0 40 DDAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCN(CCO)CC1 78783483 PKHHNGIYQAEDMV-CABCVRRESA-N 308.809 1.580 0 40 DDAB c1cnnc(NC[C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)c1 78893621 MAWGEOZOIIKIJG-GFCCVEGCSA-N 316.365 1.050 0 40 DDAB CN1CCC(N(CCO)Cc2ccc3c(c2)OCCO3)CC1 89375233 ZQFBJLXTDXLNHF-UHFFFAOYSA-N 306.406 1.346 0 40 DDAB CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCCCC2)C1 89310059 TYBLLULWMJSBTN-AWEZNQCLSA-N 305.426 1.490 0 40 DDAB CC(C)(C)NC(=O)CNc1ccc2nnc(C(F)(F)F)n2n1 9953918 ICOAYKRCAPEQEJ-UHFFFAOYSA-N 316.287 1.470 0 40 DDAB CCOCCCNC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 22190768 AQRHTTAQHAHSEG-GFCCVEGCSA-N 306.362 1.343 0 40 DDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2nc(C(C)C)no2)C1 516099527 JBBOIULOXAEEQN-STQMWFEESA-N 322.409 1.405 0 40 DDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 218494903 DPYHRDDCUSZRRL-OAGGEKHMSA-N 311.447 1.741 0 40 DDAB O=C(c1cscn1)N1CCC(c2n[nH]c3nccnc23)CC1 72351201 FDXOSJZDURHBTP-UHFFFAOYSA-N 314.374 1.829 0 40 DDAB CSCC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)O 36293856 JSCJJJQGBXDCBO-SNVBAGLBSA-N 307.368 1.310 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 529761434 CJXILJPLDAQIDP-ZIAGYGMSSA-N 316.357 1.920 0 40 DDAB CC1(C)COC(=O)[C@@H]1OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 78768559 PPTZPYYJOIRUKI-FZMZJTMJSA-N 317.341 1.534 0 40 DDAB CCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 74019217 HWTFESGHACGMHP-SNVBAGLBSA-N 315.295 1.845 0 40 DDAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 72227593 AWPFYJLERJRASB-CABCVRRESA-N 300.289 1.970 0 40 DDAB CN(CC(=O)N[C@H]1CCSC1=O)c1nc2ccccc2s1 70640854 RZJMATRTQVJYKZ-JTQLQIEISA-N 321.427 1.881 0 40 DDAB O=C1NCCCC[C@@H]1Sc1nnc2[nH]c3ccccc3n12 32871615 NRXFQUBEVKYIBY-NSHDSACASA-N 301.375 1.971 0 40 DDAB CN(C(=O)Cn1cccn1)[C@H]1CCN(c2ccccc2F)C1=O 79002148 SGOZKJFLCNJTDF-AWEZNQCLSA-N 316.336 1.286 0 40 DDAB O=C1NC[C@@]2(CCCN(Cc3noc(-c4ccco4)n3)CC2)O1 72148846 HPYWTGOHQLKUAY-HNNXBMFYSA-N 318.333 1.794 0 40 DDAB C[C@H](OC[C@@H](O)CNC(=O)c1cccnc1)c1ccccc1 79085111 QISAQMPZPPSMNZ-BBRMVZONSA-N 300.358 1.950 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cscn1 521396210 QBQHTDTZMGWUBB-SSDOTTSWSA-N 301.393 1.657 0 40 DDAB CC[C@H](O)CN1CCN(c2ncccc2Br)CC1 225540973 WENXXOQTNZXWNI-NSHDSACASA-N 314.227 1.737 0 40 DDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cn2cccc2)n[nH]1 225556063 NLQBQYFJMPOCPE-ZDUSSCGKSA-N 301.350 1.064 0 40 DDAB Cc1cnn([C@@H]2CCN(C(=O)c3cccc4nc(O)[nH]c34)C2)c1 569000421 NIKOUZJOVJKCIK-LLVKDONJSA-N 311.345 1.861 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 132371915 KVPCPEXYJXOCNK-CYBMUJFWSA-N 321.402 1.322 0 40 DDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cccs3)C2)n1 225400655 GPXCPNOXMXRRRV-NSHDSACASA-N 318.402 1.898 0 40 DDAB CNS(=O)(=O)CCCN[C@@]1(CO)C[C@H](C)CC(C)(C)C1 96452923 QYINOUHMTRVUFM-OCCSQVGLSA-N 306.472 1.093 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cc1O 96427081 IKVAJDACYMOAMP-UHFFFAOYSA-N 301.755 1.888 0 40 DDAB Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cn2)n(C)n1 95443714 XPCUIAIDAZTHIM-UHFFFAOYSA-N 315.377 1.208 0 40 DDAB CO[C@H]1CO[C@@]2(CCN(C(=O)CCOc3ccccc3)C2)C1 96209460 UHDICNLLEVGLIX-WBVHZDCISA-N 305.374 1.862 0 40 DDAB CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1C 96105122 NDHHLJSRLHWXKP-CQSZACIVSA-N 309.391 1.395 0 40 DDAB CN(C)C(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96062493 XNLZVZHXYLXKSC-MRXNPFEDSA-N 304.394 1.292 0 40 DDAB CC(C)N(C)CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 96474034 WFHPTLVDWRNTPR-CYBMUJFWSA-N 301.394 1.785 0 40 DDAB CN(C)C(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 96057731 XEMIDOQBEQQOIC-IACUBPJLSA-N 321.377 1.057 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(CCc1ccccc1)CC2 96208631 NPEPBGYBJZXXAR-MRXNPFEDSA-N 302.418 1.704 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@]2(CCCN(c3nncs3)C2)CO1 96074314 JOCKYGBOSITDQU-DOMZBBRYSA-N 322.434 1.582 0 40 DDAB O=C(NCCCn1ccnc1)N[C@H]1COc2cc(F)cc(F)c21 97371638 HSJKNKVGRMOLFY-LBPRGKRZSA-N 322.315 1.984 0 40 DDAB COC(=O)[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)C(C)(C)C 96411572 BLHBONLWILSTPX-GFCCVEGCSA-N 315.801 1.857 0 40 DDAB COCCN1CCN(CC2CCOCC2)Cc2cccnc21 96198869 LWRJMRLAKILSGX-UHFFFAOYSA-N 305.422 1.777 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCn2nccc2C1 245053603 PCNVMVNDIMCMAV-CQSZACIVSA-N 303.387 1.788 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](n3nccn3)C2)cc1 244955792 FZZXSTFJBRVPRT-OAHLLOKOSA-N 318.402 1.834 0 40 DDAB Cc1cc(CN2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)no1 257261338 LGWNOTGBJXRFIC-LBPRGKRZSA-N 324.406 1.837 0 40 DDAB Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CCCO3)C2)nc(O)c1C 257260734 LECMQEFOWNFSOX-QWHCGFSZSA-N 320.393 1.063 0 40 DDAB COc1ccccc1CC(=O)N(C)[C@@H]1CCC[C@@H](OC)[C@@H]1O 257312626 UOVPPTYEFAMSGR-FRFSOERESA-N 307.390 1.625 0 40 DDAB Cc1cc([C@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)ccn1 257206395 BDEWEPYLNBAGRT-MRXNPFEDSA-N 314.389 1.803 0 40 DDAB CC(C)(C)c1cc(C(=O)NCCc2nnc3n2CCC3)no1 572571371 KUQGJPIVZBRKIQ-UHFFFAOYSA-N 303.366 1.482 0 40 DDAB O=C(C1CCC1)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575405337 RKSUFQUHGULLQZ-CQSZACIVSA-N 318.377 1.121 0 40 DDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc3ccccc3c2)[C@@H]1O 585284162 FOMRMTWJRKMRSQ-ZACQAIPSSA-N 315.369 1.592 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cccc(C)n1)[C@H]2C 585096944 CXYZLQQBTZKIFV-NSHDSACASA-N 301.350 1.345 0 40 DDAB O=C1CN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CCN1 585290567 YIBPQXMJIPGIBV-SQWLQELKSA-N 324.808 1.433 0 40 DDAB CC(C)c1nc(CC(=O)NC[C@@H](C)N2CCOCC2)cs1 43036422 NGTKPYJZSNAUEG-GFCCVEGCSA-N 311.451 1.646 0 40 DDAB CNC(=O)[C@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 44979586 VVXDLDPEEMWFLD-NWDGAFQWSA-N 322.430 1.822 0 40 DDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCC[C@@H]21 56193809 FAIRUKOBKBQTAQ-GOEBONIOSA-N 313.357 1.176 0 40 DDAB NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccccc2)c1 58134026 WRUADAQAYKASGU-UHFFFAOYSA-N 307.327 1.397 0 40 DDAB CCc1ocnc1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 72292368 SRKQKGZXOUNXSH-GFCCVEGCSA-N 303.366 1.923 0 40 DDAB COc1cccc(NC(=O)C(=O)NCc2ccccc2OC)c1 5184159 GUJFAENXUGIJKV-UHFFFAOYSA-N 314.341 1.959 0 40 DDAB CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CC)c2C)C1=O 5878428 GFIDUMNCBCDJSF-UHFFFAOYSA-N 305.334 1.118 0 40 DDAB CCN(CC)C(=O)Cn1nc(-c2cccs2)cc(N)c1=O 12146714 MGAQCLVIBCKMQT-UHFFFAOYSA-N 306.391 1.422 0 40 DDAB CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3cccs3)[C@H]2C1 12188460 JMDGQWGDVVGMBP-NEPJUHHUSA-N 314.432 1.380 0 40 DDAB COCCNC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12327218 JRWGLKYHASZWMV-VYSRMENRSA-N 315.369 1.809 0 40 DDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1cc(C)on1 14031802 DEQZOEJLKLFXJU-VIFPVBQESA-N 306.347 1.524 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 169677854 WEXAOCLFQCZRNQ-KKUMJFAQSA-N 316.401 1.984 0 40 DDAB Cc1cc(OC2CCN(C(=O)C3CCOCC3)CC2)nc(C)n1 390827094 TXEGWIUZWLULJB-UHFFFAOYSA-N 319.405 1.890 0 40 DDAB O=C(COC(=O)C1=COCCO1)N[C@H]1CCCc2ccccc21 4871201 XDOKRVGSRROQSS-AWEZNQCLSA-N 317.341 1.612 0 40 DDAB NC(=O)c1ccccc1NC(=O)c1nccc(C(F)(F)F)n1 1888860298 PWAPNEMPRVPTLX-UHFFFAOYSA-N 310.235 1.847 0 40 DDAB Cc1cnc(C(=O)N2CCC(COc3ncccn3)CC2)cn1 1775995720 GAHQWACNKVOFIF-UHFFFAOYSA-N 313.361 1.506 0 40 DDAB CN(Cc1ccc(Br)s1)C[C@](C)(O)C(=O)O 563279847 GEGROCVYJPJERB-JTQLQIEISA-N 308.197 1.778 0 40 DDAB O=C(NCC1CC1)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055716000 QEKIEYWATPJTDH-LBPRGKRZSA-N 316.405 1.254 0 40 DDAB O=C(c1ccc(Cl)c(Cl)c1)C12CN3CN(CN(C3)C1)C2 19322719 CIMCKEGBDJGAGY-UHFFFAOYSA-N 312.200 1.982 0 40 DDAB O=C(Cc1ccsc1)NC[C@@H]1CCCN1c1ncccn1 606440629 JAOPJFDEYWAUND-ZDUSSCGKSA-N 302.403 1.866 0 40 DDAB CC(C)(C)C(=O)N[C@@H]1CCCN(CC(=O)N2CCCCC2)C1 358391497 YRODFZOTMLHSGB-CQSZACIVSA-N 309.454 1.626 0 40 DDAB Cc1cnc2c(c1NCCc1ccccc1)c(=O)n(C)c(=O)n2C 22767676 UFFOOGYONBEAII-UHFFFAOYSA-N 324.384 1.595 0 40 DDAB CCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C)ccc1C 40156768 ZJJAKTDNCFBLPI-UHFFFAOYSA-N 312.435 1.792 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(C(=O)NC)CCC1 69491884 BVORPEBUIFDMAD-KGLIPLIRSA-N 307.438 1.378 0 40 DDAB CC(C)(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 69418909 LKPGSANFLFUYGH-STQMWFEESA-N 316.467 1.190 0 40 DDAB Cc1occc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 40487870 DKEKNOTWDMZPHL-UHFFFAOYSA-N 314.389 1.665 0 40 DDAB CCOC(=O)[C@@H](C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1764232 PXUJMAWWBHGXFH-UWVGGRQHSA-N 303.314 1.439 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC1=NCCS1 2652448 YPGCPDXRWQFTOM-GFCCVEGCSA-N 323.393 1.799 0 40 DDAB COCCOCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 40548723 XRPWZEZTWKWBBS-LBPRGKRZSA-N 311.378 1.852 0 40 DDAB CCc1ccc(NC(=O)CN2C(=O)CS[C@H](C)C2=O)cc1 2711109 RPOCQUTXCSLYFJ-SNVBAGLBSA-N 306.387 1.678 0 40 DDAB O=C(NCCS(=O)(=O)c1ccccc1)Nc1cccnc1 40554887 OTGZQJLFPMWJNN-UHFFFAOYSA-N 305.359 1.677 0 40 DDAB COC[C@H](C)NC(=O)COC(=O)c1ccc(OC(C)C)cc1 3440732 WJSQPMNGFKNEJU-LBPRGKRZSA-N 309.362 1.782 0 40 DDAB CCN(CC)CCNC(=O)CN1C(=O)COc2ccc(C)cc21 3907228 KQYSCVULFLQBPX-UHFFFAOYSA-N 319.405 1.178 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4006432 USMJRFMICLNYFG-WVWOOGAGSA-N 315.325 1.935 0 40 DDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)o1 4188994 BYALKUYRJJTNGJ-UHFFFAOYSA-N 321.358 1.508 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccs1 4454665 KNJQJWBUPKVULM-UHFFFAOYSA-N 317.366 1.833 0 40 DDAB CCNC(=O)[C@H](C(=O)OCCN(CC)CC)c1ccccc1 6385274 FOPKLMKFBMQOPG-OAHLLOKOSA-N 306.406 1.791 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 20761915 ZIPIOZREBRPGEG-BONVTDFDSA-N 316.357 1.846 0 40 DDAB biogenic COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2c(C)noc2C)C1 108184030 DRYIDVJYLYJBMD-RISCZKNCSA-N 309.410 1.655 0 40 DDAB CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1CC(=O)NC1=O 101507910 IXBONHCJCNJRGH-LLVKDONJSA-N 318.308 1.113 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nnc(C)s2)c(OC)c1 11615563 ROQOHBDQNIKLAO-UHFFFAOYSA-N 315.376 1.665 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(N)=O)cc2)c1C 7983119 QERRCWLNRUIGAN-UHFFFAOYSA-N 315.329 1.769 0 40 DDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 57355492 GYDSPNSISQUZGT-WBVHZDCISA-N 315.417 1.370 0 40 DDAB CN(C)c1nc(N)nc(CSCCOc2ccccc2F)n1 32854127 WGCPLCQTFSEOQB-UHFFFAOYSA-N 323.397 1.971 0 40 DDAB Cc1cc(NCC(=O)NCc2ccco2)ccc1-n1cnnn1 69439519 UMNFSRMPGBTJDV-UHFFFAOYSA-N 312.333 1.292 0 40 DDAB CC(=O)N1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1 41788461 UENBXWZYBJUEFZ-UHFFFAOYSA-N 308.382 1.206 0 40 DDAB CC(C)N1C[C@H](C(=O)NCCN(C)Cc2ccccc2)CC1=O 53349638 VSQNMDPHCOBLMC-MRXNPFEDSA-N 317.433 1.492 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(c2ncnc3sccc23)CC1 22343492 ARCAUIMWOVHHJZ-GFCCVEGCSA-N 318.402 1.519 0 40 DDAB COCC(=O)N1CCN(c2ncnc3cccc(F)c23)CC1 54060304 QZNRLAMWLOOEGW-UHFFFAOYSA-N 304.325 1.064 0 40 DDAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2)cc1 807348 MTYHYERPFKGPFL-UHFFFAOYSA-N 314.297 1.664 0 40 DDAB C[C@H](c1ccccc1)N(C)CC(=O)N[C@H]1CCCCNC1=O 106074819 ZYJWAACKKRQOTK-HIFRSBDPSA-N 303.406 1.464 0 40 DDAB O=C(CN1CCCCCC1=O)Nc1ccccc1-n1cncn1 25001828 GLENTXYQGZMWNF-UHFFFAOYSA-N 313.361 1.608 0 40 DDAB COc1ccccc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1 25249990 QPDSYKYWXDOHNG-UHFFFAOYSA-N 320.370 1.736 0 40 DDAB CNC(=O)COc1ccc(CNC(=O)c2ccc(C)o2)cc1 55856549 IGVVELHRGGCAJV-UHFFFAOYSA-N 302.330 1.643 0 40 DDAB CN(Cc1cccs1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103066235 FRNUCBSGMNMOSE-STQMWFEESA-N 318.398 1.658 0 40 DDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 100634846 IARBWFOJICOXTA-WFGGJUAMSA-N 319.744 1.799 0 40 DDAB COc1ccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1 25309819 OZUWPPXWXREQRS-LLVKDONJSA-N 314.345 1.420 0 40 DDAB CCCNS(=O)(=O)c1ccc(NC(=O)c2cc[nH]n2)cc1 56605383 VVNRBVAIBRPXAE-UHFFFAOYSA-N 308.363 1.350 0 40 DDAB Cc1cc(-c2noc(CCC(=O)N[C@H](C)C(N)=O)n2)ccc1F 57444212 LATBTCPQPZMZMN-SECBINFHSA-N 320.324 1.107 0 40 DDAB C[C@@H]1CCc2sc(C(=O)N3CCS(=O)(=O)CC3)cc2C1 57794863 OKTVVLCADKDNBW-SNVBAGLBSA-N 313.444 1.744 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)[C@]1(C)CC1(Cl)Cl 58162451 AAYUITSPNXFCDX-NSHDSACASA-N 303.193 1.767 0 40 DDAB CCn1c(=O)n(CC(=O)N[C@H](C)[C@@H]2CCCO2)c2ccccc21 27884309 WNBZSQOEBYETHP-DOMZBBRYSA-N 317.389 1.507 0 40 DDAB CCN(C(=O)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 36140534 XLGDISWZVYAPTI-LLVKDONJSA-N 301.433 1.716 0 40 DDAB COc1ccc(C)cc1CC(=O)NCc1nnc2n1CCC2 58493505 DJEMOXAIOKVNPD-UHFFFAOYSA-N 300.362 1.400 0 40 DDAB CC(C)C(=O)Nc1ccc(NCC(=O)N2CCNC2=O)cc1 12631578 WLEDJSZAPMPJGT-UHFFFAOYSA-N 304.350 1.245 0 40 DDAB COc1ccc(CNC(=O)NCCN2CCCCCC2=O)cn1 48290518 PDBHIWBVYNSFBI-UHFFFAOYSA-N 320.393 1.292 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 48252226 XIQHNBNKROGQDC-UHFFFAOYSA-N 316.336 1.520 0 40 DDAB Cc1nc(NC(=O)[C@H]2CCC(=O)NC2)sc1-c1ccccn1 48271953 AJULPHLOPHKWRI-JTQLQIEISA-N 316.386 1.978 0 40 DDAB Cc1ccc(CN(C)C(=O)Cc2c(C)nc3ncnn3c2C)o1 12942913 IZDOVDVILFMKQO-UHFFFAOYSA-N 313.361 1.844 0 40 DDAB O=C(Cn1cnnn1)NCc1ccccc1Oc1ccccc1 62887092 IICRYXFCYQTBJG-UHFFFAOYSA-N 309.329 1.782 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4173892 FQOJPAYLDFVNPE-RQJABVFESA-N 303.314 1.596 0 40 DDAB O[C@H](CN1CCN(CCc2ccccn2)CC1)c1ccccc1 69662593 LAAVSIMCGURTLD-LJQANCHMSA-N 311.429 1.975 0 40 DDAB CCN(CC)CC(=O)NCc1cccnc1-n1ccnc1C 69627278 SBUAESWMNHEZOV-UHFFFAOYSA-N 301.394 1.534 0 40 DDAB C[C@H](NC(=O)NCc1cnn(C)c1)C(=O)N1CCCC[C@@H]1C 69706218 PGWJBTHHKQPALQ-RYUDHWBXSA-N 307.398 1.009 0 40 DDAB CC(=O)c1cnn(-c2cc(NCCCN(C)C)ncn2)c1C 5345719 VEUFYGGLZBIZRK-UHFFFAOYSA-N 302.382 1.537 0 40 DDAB O=C1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)N1 69873143 AZDOADMNXWFDEH-VXGBXAGGSA-N 302.330 1.357 0 40 DDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)c(F)c2)CN1 14632592 YKZGMZGKRCWWQA-KWQFWETISA-N 318.142 1.871 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(F)cc2)nn1 67264147 XHDRHWZUGHGFCI-ZDUSSCGKSA-N 304.325 1.374 0 40 DDAB Cc1ccc(OCc2nc(N)nc(N)n2)c(Br)c1 7023617 PEYWGGHNHHJWKC-UHFFFAOYSA-N 310.155 1.686 0 40 DDAB O=C(O)CCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 8765064 RASWLHVGCNLLJG-NWDGAFQWSA-N 304.346 1.049 0 40 DDAB biogenic Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 7400661 YMPYMDXJGKBWGI-MRXNPFEDSA-N 301.346 1.654 0 40 DDAB O=C(Cn1cnnn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688578 MFQUQPQCTMDPHU-UHFFFAOYSA-N 322.300 1.714 0 40 DDAB CCOC(=O)[C@@H]1CCCC12N1CC3(C)CN2CC(C)(C1)C3=O 19329226 YSIUGGXAZCQVOY-TWNRVBHCSA-N 306.406 1.272 0 40 DDAB CCn1c(C(=O)N2CCN(C[C@@H](C)O)CC2)cc2ccccc21 71871336 KQWYCNQKILFMIC-CQSZACIVSA-N 315.417 1.800 0 40 DDAB CC(C)c1ccc(OCCC(=O)N2CC[C@H](C(N)=O)C2)cc1 71836419 XLGFMICVCVMOPM-AWEZNQCLSA-N 304.390 1.913 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 9356597 FRCDZAQHPUAIIN-NXEZZACHSA-N 302.808 1.994 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3cc(C)on3)CC2)nn1 71860370 LMKZCTCOCOQYSC-UHFFFAOYSA-N 301.350 1.434 0 40 DDAB CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)C1 71870371 GZYDXMHOJNILHX-HRCADAONSA-N 307.438 1.330 0 40 DDAB CN(C[C@H]1CN(CCc2ccccn2)CCO1)c1cccnn1 83859272 BNLYFDOEPCZYHD-INIZCTEOSA-N 313.405 1.251 0 40 DDAB O=C(NCCc1cccc(F)c1)c1cc2c([nH]c1=O)CCC2 89775073 NLNFLEDASNSZHI-UHFFFAOYSA-N 300.333 1.975 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1Cn1cccn1 72267531 MTLPGEPUFJGUEX-CYBMUJFWSA-N 302.382 1.326 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(N(C)C)nc2)c1 72233958 VZXLZWGRXASSCK-OAHLLOKOSA-N 313.405 1.957 0 40 DDAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)o1 84258976 HPRIMZGPCFSETR-OAHLLOKOSA-N 316.405 1.388 0 40 DDAB Cc1cc(C(N)=O)c(NC(=O)Cn2cccc(C)c2=O)s1 97103485 ZGEKFRQRISJPFK-UHFFFAOYSA-N 305.359 1.264 0 40 DDAB OCCN(CCO)c1ccc2cc(Br)ccc2n1 84425347 VDIMTERWSWGARE-UHFFFAOYSA-N 311.179 1.788 0 40 DDAB CC[C@H](C)c1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)on1 76056638 ZUNROJMUNJOZNN-KCQAQPDRSA-N 321.421 1.981 0 40 DDAB Cn1cc(CCC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cn1 76044580 QGOZJJLHNGWGKR-ZDUSSCGKSA-N 315.377 1.977 0 40 DDAB CCc1nsc(N2CCCN(CC(=O)NCC3CC3)CC2)n1 76184979 HNMANDSFTFSBGG-UHFFFAOYSA-N 323.466 1.139 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(=O)[nH]c2ccc(F)cc12 77161000 RJCXPEGJXBHJKB-ZUZCIYMTSA-N 318.348 1.948 0 40 DDAB Cc1nc(CS(=O)(=O)c2nccn2-c2ccccc2C)no1 78441992 NWQISAGDLHBWHW-UHFFFAOYSA-N 318.358 1.846 0 40 DDAB CC(C)Oc1ccc([C@H](O)CNC(=O)Cc2ccon2)cc1 95417426 IBCBPECJWMVCED-OAHLLOKOSA-N 304.346 1.854 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)O 78714163 NPIMSABBDNUDNS-OAHLLOKOSA-N 320.389 1.764 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN1 73343045 YUSXOODJFCWINA-CYBMUJFWSA-N 300.362 1.024 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)CCc3ccccc3)C2=O)cn1 98010424 GTWMIWNMWOMDIC-HNNXBMFYSA-N 312.373 1.274 0 40 DDAB Cn1cc([C@H](O)CNC(=O)C2(c3cccc(F)c3)CCC2)cn1 79019736 CZZKZTHCHODBFU-OAHLLOKOSA-N 317.364 1.831 0 40 DDAB NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl 89091940 RLHSBSHNFMJOEG-KWQFWETISA-N 306.790 1.885 0 40 DDAB COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccnc1OC 79068688 VHHDXKOLZNGYNZ-MNOVXSKESA-N 307.350 1.944 0 40 DDAB CCc1nn(C)c(OC)c1CNC(=O)c1cccc(N(C)C)c1 89219107 UGGCSJRMFPQFPH-UHFFFAOYSA-N 316.405 1.987 0 40 DDAB COC[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218405401 VVRYEZUZMBECOL-NTZNESFSSA-N 318.778 1.568 0 40 DDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1F 71980020 NSDLPURTNFOZEU-CYBMUJFWSA-N 322.336 1.173 0 40 DDAB C[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1cccnc1 122567163 XLENUHURZWZHIO-CYBMUJFWSA-N 316.405 1.797 0 40 DDAB CCC(=O)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72389617 PGNPFLVWKXCUBY-UHFFFAOYSA-N 301.350 1.003 0 40 DDAB Cc1cc(C)cc([C@@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)O)c1 548589622 AGCGICUIKLUXQI-QWHCGFSZSA-N 313.375 1.137 0 40 DDAB Cc1cc(N2CCOCC2)nc2sc3c(=O)[nH]cnc3c12 71283684 GADRXOWXGBHLCR-UHFFFAOYSA-N 302.359 1.678 0 40 DDAB C[C@@H](C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)n1cnnn1 524735651 PWLAZCCXCDULMX-VIFPVBQESA-N 314.324 1.439 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CSCCC(=O)N1 75171277 LZJVWEDMWLPCQO-JTQLQIEISA-N 314.794 1.909 0 40 DDAB CN(CCCNC(=O)CCc1cccs1)S(C)(=O)=O 32915129 RDCBVSOGTQVTJC-UHFFFAOYSA-N 304.437 1.078 0 40 DDAB Cc1cc(C(=O)N2CC(C(=O)NCc3cccs3)C2)no1 70810807 PMNRNNPFIGGZCG-UHFFFAOYSA-N 305.359 1.433 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2C[C@@H]1C(=O)O2 75162583 BRMRRNLSAFGLHH-NXEZZACHSA-N 301.751 1.337 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C)CC2=O)c(OC)c1 42630835 BPRQKUQCFIDQNI-NSHDSACASA-N 320.389 1.971 0 40 DDAB C[C@H](Cc1ccccc1F)Nc1[nH]c(=N)nc2c1cnn2C 573220095 XXKYQUMVOLAFAS-SECBINFHSA-N 300.341 1.958 0 40 DDAB CN(c1ccccc1)S(=O)(=O)c1ccc(OCC(N)=O)cc1 223300566 PWCSGFSMLRPACS-UHFFFAOYSA-N 320.370 1.376 0 40 DDAB CCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225949656 FLGMNSZMHGTFSL-LLVKDONJSA-N 304.799 1.457 0 40 DDAB CN1CCN(C(=O)c2ccc3c(c2)OCC2(CC2)CO3)CC1 225366868 CQBYSQXFEAFWGS-UHFFFAOYSA-N 302.374 1.626 0 40 DDAB Cc1cnc(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)nc1 91575700 NGRCWVHBVJPFLA-UHFFFAOYSA-N 314.370 1.945 0 40 DDAB CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccnc1 191552766 MELSHBFDUAOBBM-UHFFFAOYSA-N 303.387 1.552 0 40 DDAB O=C(Cc1ccccn1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042075 JGYQSNYQKLKDGH-XYJFISCASA-N 316.401 1.809 0 40 DDAB C[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2O1 96424755 DRPNVEMVSABOIZ-YPMHNXCESA-N 308.353 1.708 0 40 DDAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@]1(C)CCCN1 95466774 DAIXQEXYDOITSX-INIZCTEOSA-N 315.377 1.996 0 40 DDAB C[C@H](NCC(=O)N1CCOCC1)c1cccc(N2CCCC2)c1 96492404 UKOKDTDJYPUJAY-HNNXBMFYSA-N 317.433 1.796 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(C)cc1 96454866 JXNBLVCEIPYSAU-AWEZNQCLSA-N 310.419 1.078 0 40 DDAB O=C(c1cnccn1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158273 VYYJKTSUXBOIIY-QGZVFWFLSA-N 324.388 1.399 0 40 DDAB O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)N2CCC2)C1 96494939 URYPOFZPSNMGSK-INIZCTEOSA-N 306.337 1.970 0 40 DDAB O=C(C[C@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)N1CCCCO1 96215271 XMPJFZLELZVHCY-NUEKZKHPSA-N 324.421 1.199 0 40 DDAB Cc1noc(C[C@]23COC[C@H]2CN(Cc2cc(C)on2)C3)n1 96209515 QHNNEAGNELKWJD-DOMZBBRYSA-N 304.350 1.366 0 40 DDAB CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 247926691 IRASVFCMCTZPRL-CQSZACIVSA-N 318.402 1.207 0 40 DDAB Cc1cc(-c2ccnn2C)nc([C@H]2CCCN2S(C)(=O)=O)n1 257240545 HUAPCLLKAGUQQN-CYBMUJFWSA-N 321.406 1.282 0 40 DDAB COCC[C@@H](CO)NC(=O)NC[C@H]1CCN(C)c2ccccc21 252510391 ZJFXBBCZTBLKBR-KGLIPLIRSA-N 321.421 1.307 0 40 DDAB Cc1ncc(CN2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)cn1 257331916 XUVVPJAJUAUGCL-IXDOHACOSA-N 324.432 1.922 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCC[C@@H](OC)[C@@H]1O 257295133 QXCGNLOQEBZWMW-KCPJHIHWSA-N 309.410 1.685 0 40 DDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 257301946 SASCJQYDFDYMRR-CQSZACIVSA-N 314.393 1.249 0 40 DDAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)CN)C2)ncn1 257284495 PCXJSNNZNBVFHB-LBPRGKRZSA-N 315.377 1.098 0 40 DDAB O=C(c1ccco1)c1ccc(CNC(=O)N2CCNC2=O)s1 96119899 RZXLEMHVEOQDCK-UHFFFAOYSA-N 319.342 1.807 0 40 DDAB O=C(N1CC2(C[C@H](OCc3cccnc3)CCO2)C1)C1(F)CC1 575405290 RYVMXAZHBPKMHY-CQSZACIVSA-N 320.364 1.860 0 40 DDAB CCCc1ncc(CN2CC[C@@H](OC)[C@H](CC(=O)NC)C2)cn1 585276670 OUFODUAJIXGPSS-HUUCEWRRSA-N 320.437 1.402 0 40 DDAB O=C(N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1)C1(F)CC1 585108815 NURUYMUJDRVFQB-KKUMJFAQSA-N 320.364 1.859 0 40 DDAB Cc1cc(NC(=O)NC[C@H](O)COc2ccccc2)n(C)n1 43432656 VSNIVIOVXORSFW-LBPRGKRZSA-N 304.350 1.290 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 72231808 SOHKCFFAGFRQSU-KGLIPLIRSA-N 323.393 1.670 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)nc(N)n1 72380939 RXRMXNRRUJGMLN-SSDOTTSWSA-N 310.301 1.174 0 40 DDAB Cc1nc(N2CCN(c3ncncc3C)CC2)c2cnn(C)c2n1 641356850 SCVAEUVEIBVNBK-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB O=C1CN2CCNC[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594618 QISYQGZEZBJBEO-HNNXBMFYSA-N 324.384 1.353 0 40 DDAB C[C@@H](NC(=O)[C@@]1(C)CCCO1)c1nc(-c2ccncc2)n[nH]1 12191829 QVIGXEJMVXLHOG-MEBBXXQBSA-N 301.350 1.613 0 40 DDAB CCn1nc(C(F)(F)F)cc1CS(=O)(=O)CCC(=O)O 12398853 KSRGMDBXWHFSGV-UHFFFAOYSA-N 314.285 1.311 0 40 DDAB O=S(=O)(CCc1ccccc1)N1CC[C@H](n2ccnn2)C1 206934181 WCEXHMNFVPAHQD-AWEZNQCLSA-N 306.391 1.097 0 40 DDAB Cc1cc(C(=O)N2[C@@H](CN)C[C@@]3(C)[C@H](O)CCCC[C@@H]23)on1 1848354252 WGRFTVXSXUGTQF-XKVFNRALSA-N 307.394 1.466 0 40 DDAB CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc2oc(C)cc2c1 1848352418 RNMCUNDEANHWFR-KGLIPLIRSA-N 315.373 1.147 0 40 DDAB O=C(c1ccc2nn[nH]c2c1)N1CCO[C@@H](c2ccncc2)C1 1848356215 VXFUUMHETUKIAD-OAHLLOKOSA-N 309.329 1.567 0 40 DDAB CN([C@@H]1CCN(c2ncnc3ccccc23)C1)S(C)(=O)=O 1888864029 VYGUKLKMQOZIJL-LLVKDONJSA-N 306.391 1.100 0 40 DDAB CN(c1ncc(Br)cn1)C1CN(c2ccccn2)C1 1889091579 VSNDUDMGHKSUDJ-UHFFFAOYSA-N 320.194 1.959 0 40 DDAB Cc1nc(N2CCN(c3cnccn3)CC2)cc(-n2cccn2)n1 1889139095 DLGFJOKHMFOPOH-UHFFFAOYSA-N 322.376 1.087 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)N1CCOCC1)c1ccccc1F 27339397 STKCLQUTDMVYNB-AWEZNQCLSA-N 318.352 1.690 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CCO1 25838372 NDCGGFAHYAEWIF-VIFPVBQESA-N 314.183 1.503 0 40 DDAB CCN1C(=O)CCC12CCC(NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1565553288 RTRIDLHLAPBFEF-LDIZTCGJSA-N 306.406 1.319 0 40 DDAB Cn1c(C(=O)N2CCc3ncnc(C4CC4)c3CC2)cccc1=O 2055729945 HAYDXDAFLCSCRJ-UHFFFAOYSA-N 324.384 1.294 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2O1 2055718353 FYLHSNCYYNZFRD-GLQYFDAESA-N 310.344 1.690 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CCN(c2ccccn2)CC1 36709880 UVURGPCMGLBNLB-UHFFFAOYSA-N 321.384 1.780 0 40 DDAB COC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 4328141 KUYGAPCLMCBOIJ-UHFFFAOYSA-N 301.331 1.451 0 40 DDAB c1cc2c(cc1OCCCN1CCn3cnnc3C1)OCO2 105880793 WSCQFBOFPYEVHG-UHFFFAOYSA-N 302.334 1.292 0 40 DDAB CC[C@H]1CN(C(=O)C[C@@H](NC(C)=O)c2cccs2)CCO1 30851754 RTLIVPSWESLDQJ-QWHCGFSZSA-N 310.419 1.953 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 50443946 DESVERXDYFTKMX-GFCCVEGCSA-N 324.384 1.761 0 40 DDAB CCCOc1ccc(C=O)c(OCC(=O)NC[C@@H]2CCCO2)c1 20284310 BMHSJMMMDKWODW-HNNXBMFYSA-N 321.373 1.962 0 40 DDAB COCCN1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C 69776618 HKWFYUMQJBLCOM-WFASDCNBSA-N 309.385 1.005 0 40 DDAB Cc1nnc(SCC(=O)N2CCCCC2)n1C[C@H]1CCCO1 421003 UJWSQPXJRRISCK-CYBMUJFWSA-N 324.450 1.870 0 40 DDAB COCCN1CCN(Cc2csc(NC(C)=O)n2)C[C@H]1C 69840946 UUJNHWVCZDOOCW-LLVKDONJSA-N 312.439 1.254 0 40 DDAB COC(=O)[C@@]1(C)Cc2cc(OC(C)=O)c(OC(C)=O)cc2N1 1579461 ROHZHZUPUYTOST-OAHLLOKOSA-N 307.302 1.437 0 40 DDAB CCOC(=O)C(=O)[C@@H]1C(=O)N(C)[C@]2(C)C[C@H]1c1ccccc1O2 1758639 LVSHFNNPADHXDV-PPHDSNJXSA-N 317.341 1.489 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCC(=O)O)ccc12 2510081 USALUSONPMPEKY-NSHDSACASA-N 304.302 1.232 0 40 DDAB Cc1sc2ccc(Cl)cc2[n+]1C[C@@H](O)CS(=O)(=O)O 3043101 ZYNIRFBJDLLOTN-SECBINFHSA-O 322.815 1.399 0 40 DDAB COc1ccc(Cl)cc1S(=O)(=O)NCCCN(C)C 6378893 YJOZDCYEACPIBV-UHFFFAOYSA-N 306.815 1.579 0 40 DDAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 6946150 AJOPWWOYEXJVEO-ZDUSSCGKSA-N 312.435 1.920 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccccn3)CC2)C1 108534039 IUFDXACYOVHLHE-UHFFFAOYSA-N 323.418 1.016 0 40 DDAB COc1ccccc1[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O 8700635 VXUFUHZLHCGTBJ-RYUDHWBXSA-N 311.334 1.707 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1(C)C 96443868 NWAZMUFRGUXTEJ-HBUWYVDXSA-N 322.449 1.955 0 40 DDAB Cc1cnc(C(=O)NCC2(N3CCOCC3)CCCCC2)cn1 22375335 MVNUGDSEDDTPAS-UHFFFAOYSA-N 318.421 1.550 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101512919 GZIZQJIGTHWOFL-DJIHRAIXSA-N 305.286 1.232 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CCCN(C(=O)C2CC2)C1 42382267 JUZBRXLPCJOKKT-AWEZNQCLSA-N 301.390 1.389 0 40 DDAB COCCn1cc(C(=O)N2CCc3ccccc3C2)ccc1=O 47244484 VMAWBLYHPHRPRO-UHFFFAOYSA-N 312.369 1.693 0 40 DDAB OCCN1CCN(CCOc2ccc3ccccc3c2)CC1 47466491 DKIBENMJSQBMJY-UHFFFAOYSA-N 300.402 1.829 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H]1C(=O)NCC(F)(F)F 54991359 KGXXVLBOFYQDKM-LLVKDONJSA-N 305.300 1.934 0 40 DDAB COC(=O)c1ccc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 1237793 CUEZBOJOQIHECK-SNVBAGLBSA-N 309.343 1.360 0 40 DDAB C[C@H]1CN([C@H](C)CNC(=O)N[C@H](C)Cn2cccn2)C[C@@H](C)O1 106565375 HTYJXNPEUSYHKF-TUVASFSCSA-N 323.441 1.069 0 40 DDAB Cc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 47647414 CWORLNDNGHGWHY-INIZCTEOSA-N 316.401 1.767 0 40 DDAB C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(N)=O 3118092 OCFYTKZXDSNICX-YPMHNXCESA-N 308.378 1.970 0 40 DDAB C[C@H](CNC(=O)N[C@@H]1CCOc2ccccc21)N1CCOCC1 47865696 CNYLVVOMDFJUQH-UKRRQHHQSA-N 319.405 1.530 0 40 DDAB NC(=O)[C@H]1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C1 56089400 SMBIEZQYVBYLTR-ZDUSSCGKSA-N 306.387 1.111 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(C)c3ccccc3C2)C1 107148453 CSPNHIMAYOFUNE-NUEKZKHPSA-N 304.390 1.251 0 40 DDAB COCc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788370 KESUBKYQXMVCNA-IAGOWNOFSA-N 318.417 1.504 0 40 DDAB Cc1ccnc2nc(C(=O)Nc3ccc(-n4cccn4)nc3)nn12 12523305 YYGNFBYSLPXZMU-UHFFFAOYSA-N 320.316 1.266 0 40 DDAB CS(=O)(=O)c1ccc2nc(N3CC(C(=O)O)C3)sc2c1 61957915 OQEIVGRFCPQVDW-UHFFFAOYSA-N 312.372 1.221 0 40 DDAB CN1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1=O 44709580 SBXKYNKJNYCRBN-UKRRQHHQSA-N 320.364 1.594 0 40 DDAB Cc1noc(C)c1COC(=O)[C@H](CO)NC(=O)c1ccccc1 54707404 UQOISOKWTZUIAC-AWEZNQCLSA-N 318.329 1.126 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1 58163089 FOEDKUUFKYXQKL-MRXNPFEDSA-N 311.385 1.625 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CCc2sccc2C1 44895353 NRWSBPWMVBSZQN-UHFFFAOYSA-N 303.391 1.554 0 40 DDAB C[C@H]1CCCCN1C(=O)Cn1c(-c2ccccn2)noc1=O 58292773 OINCFVJHFZZOKG-NSHDSACASA-N 302.334 1.299 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1COc2ccccc2C1 58217811 TXUYKGOSYXQQDB-GJZGRUSLSA-N 316.401 1.897 0 40 DDAB COc1ccc(CNC(=O)NCc2ccc(C(N)=O)cc2)cn1 44953086 FYBBMEQEDNZIDD-UHFFFAOYSA-N 314.345 1.189 0 40 DDAB CS(=O)(=O)c1ccc(O[C@H](C(N)=O)c2ccc(F)cc2)cc1 58309871 MFTYXMNMCUXZMI-AWEZNQCLSA-N 323.345 1.835 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 58424196 YRVZTFPKFYPDMY-VHDGCEQUSA-N 315.417 1.978 0 40 DDAB COc1ccccc1N1C(=S)S[C@@H]2CS(=O)(=O)C[C@@H]21 2235328 SYANJXOHYBPDLI-GXSJLCMTSA-N 315.441 1.699 0 40 DDAB Cn1cc(C(=O)NC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cn1 48273353 SEWRMJNYPLCFRY-CYBMUJFWSA-N 316.405 1.497 0 40 DDAB O=C(CN1CCOCC1)Nc1ccnn1Cc1cccs1 28914097 AVILZOGYXATDJQ-UHFFFAOYSA-N 306.391 1.264 0 40 DDAB Cc1nnc2n1CCN(C(=O)C[C@@H]1OCCc3ccsc31)C2 69967194 OMLSRXDTMMOIAZ-LBPRGKRZSA-N 318.402 1.694 0 40 DDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3460464 ZPZISXCWOFXDEZ-KRWDZBQOSA-N 315.373 1.512 0 40 DDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1CCCCC1 3505593 YNOUGDGYPBORMS-UHFFFAOYSA-N 307.394 1.690 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccsc2)cc1 13008112 QWYPGHOLFNQKIE-UHFFFAOYSA-N 310.400 1.254 0 40 DDAB C[C@@H](NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1)C(=O)N(C)C 70822191 PVMYTRIWNOGZPR-LLVKDONJSA-N 319.405 1.421 0 40 DDAB O=C(Cc1noc2ccccc12)Nc1ccc(-n2cnnn2)cc1 19203599 IAEUWFICLAIXSL-UHFFFAOYSA-N 320.312 1.985 0 40 DDAB COc1c(CNC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(C)nn1C 65475077 KYBMQBBIHJZETK-RWMBFGLXSA-N 310.442 1.324 0 40 DDAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)cc1C 65548679 WTNBDJPBRXTFIN-UHFFFAOYSA-N 322.430 1.735 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1 14140185 RCLFEHCPPASMSI-INIZCTEOSA-N 309.369 1.537 0 40 DDAB O=C([C@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCCC1 9059592 IPAWLRSZPQENRJ-NSHDSACASA-N 300.366 1.192 0 40 DDAB CN1[C@H](Cc2ccccc2O)[C@H](O)c2ccccc2S1(=O)=O 9053782 JTNFSXJUIOVEDA-CZUORRHYSA-N 319.382 1.671 0 40 DDAB CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 14305108 MJWSWGCBQFXINS-SECBINFHSA-N 305.758 1.738 0 40 DDAB COc1cccc(CNC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1OC 71280058 CWNZWRKGAGVUNU-RYUDHWBXSA-N 307.346 1.677 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCOCc1ccccc1 71829482 CJOUMZBSGXJTQU-ZFWWWQNUSA-N 304.390 1.706 0 40 DDAB CCCc1cc(NC(=O)c2c[nH]c3c(cnn3C)c2=O)[nH]n1 96004546 QBDIATWLEWJAQM-UHFFFAOYSA-N 300.322 1.190 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1c(C)noc1C 71856833 JGMVRCOKEJTNKJ-UHFFFAOYSA-N 315.333 1.425 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F 71829757 IVVDLCPSBNQAHH-JQWIXIFHSA-N 308.353 1.489 0 40 DDAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C=O)CC3)c2c1 20745285 HZSZNLAWNXXVQE-HNNXBMFYSA-N 301.346 1.376 0 40 DDAB Cc1cnn(CC2CCN(C[C@H](O)Cn3cccn3)CC2)c1 71878750 HMFVAFLVXKPGMF-INIZCTEOSA-N 303.410 1.161 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12 71830151 FHAMCYWKXYROKF-WFASDCNBSA-N 311.385 1.890 0 40 DDAB CCN1C[C@@H](C(=O)NCc2nc3ccccc3n2C)CC1=O 71880357 WVTPGFLBVQZKFL-NSHDSACASA-N 300.362 1.058 0 40 DDAB CCc1ccc(-c2csc(NC(=O)Cn3cnnn3)n2)cc1 7794439 PUGROVYFUKNAOR-UHFFFAOYSA-N 314.374 1.998 0 40 DDAB CC(=O)NC1(C(=O)N2CCC[C@@H]2Cn2cccn2)CCCCC1 70014311 YCQDHEZZWMZYAJ-OAHLLOKOSA-N 318.421 1.713 0 40 DDAB CC(C)N(C(=O)Cn1cnnc1[S@](C)=O)c1ccccc1 70037965 FWFKOZPCCLWHAP-OAQYLSRUSA-N 306.391 1.457 0 40 DDAB COc1cc2c(cc1CN[C@@H]1CCc3ncnn3C1)O[C@H](C)C2 69488866 VCGCNMHYKBRWPC-BXUZGUMPSA-N 314.389 1.715 0 40 DDAB CC(C)(C(=O)NCCNC(=O)c1ccn[nH]1)c1cccs1 97079919 LAOHFLUNLXSDID-UHFFFAOYSA-N 306.391 1.295 0 40 DDAB COc1ccc(C(=O)N(C)CCC2CC2)cc1-n1cnnn1 97081420 XRCQJGOCZDCTSO-UHFFFAOYSA-N 301.350 1.543 0 40 DDAB Cn1nccc1CNc1ccccc1N1CCC(C(N)=O)CC1 97048878 XGAILAWXGRUZGB-UHFFFAOYSA-N 313.405 1.734 0 40 DDAB CN(CCCN1CCCC1=O)C[C@H]1CCCN1c1cccnn1 72279481 CNEKFHFYALWYPR-OAHLLOKOSA-N 317.437 1.390 0 40 DDAB COc1cc2[nH]c(=NC(=O)c3cccn3C)[nH]c2cc1OC 95395619 BFAOMZHRKQQCNN-UHFFFAOYSA-N 300.318 1.593 0 40 DDAB COCCNC(=O)CCNc1ncc(Br)cc1C 95411928 RLQJZHXCYZHQOF-UHFFFAOYSA-N 316.199 1.717 0 40 DDAB O=C(c1[nH]nc2c1CCCC2)N1CCS[C@@H]2COCC[C@H]21 95425961 UXHRIDXEBVYHKZ-CHWSQXEVSA-N 307.419 1.635 0 40 DDAB C[S@@](=O)c1ccc(NC(=O)C(=O)NCc2cccs2)cc1 95461268 XSHQVDFDRMZHQT-NRFANRHFSA-N 322.411 1.740 0 40 DDAB Cc1cc(C)c(NC(=O)C(=O)NCc2c[nH]nc2C)c(C)c1 95949528 DCDNTRRVSPPKSK-UHFFFAOYSA-N 300.362 1.898 0 40 DDAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NC1CC1 38498112 ORIXNTUYBDGZIO-UHFFFAOYSA-N 300.314 1.934 0 40 DDAB CN(C(=O)NCc1ccncc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O 89334811 FHXKMKPPONVPLT-OLZOCXBDSA-N 311.407 1.189 0 40 DDAB CCCN1C(=O)N/C(=C/c2ccc(N3CCOCC3)o2)C1=O 409244923 KPKWYPLQAQBVFS-ZRDIBKRKSA-N 305.334 1.419 0 40 DDAB C[S@@](=O)c1nncn1Cc1ccc2c(c1)OC(F)(F)O2 505506501 METRIKKWBBVIDH-HXUWFJFHSA-N 301.274 1.385 0 40 DDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 33569513 OIPNPOOANSBUSI-VHSXEESVSA-N 302.808 1.994 0 40 DDAB Cn1cncc1CN1CC[C@@H](NC(=O)c2ccc(F)cc2)C1 1009911185 PVZUXVXETJPPFC-CQSZACIVSA-N 302.353 1.564 0 40 DDAB O=C1O[C@@H](C(=O)N[C@H]2CC[C@H](CO)CC2)Cc2ccccc21 152326203 ZZXAKZUNSVCSFQ-OSAQELSMSA-N 303.358 1.435 0 40 DDAB CN(Cc1cc2n(n1)CCNC2)Cc1noc2c1CCCC2 72174025 HIIBSXSVOIADGL-UHFFFAOYSA-N 301.394 1.485 0 40 DDAB NC(=O)CN1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 72383060 HNILPPTYTZXFSC-GFCCVEGCSA-N 312.377 1.280 0 40 DDAB O=C(NC1CCCC1)c1c(-n2cnnn2)sc2c1CCC2 40266196 ZHXWLASVSAVCOE-UHFFFAOYSA-N 303.391 1.885 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@@H](Oc2cccnn2)C1 225411129 DZXBQEIPAWHQFF-CQSZACIVSA-N 313.357 1.844 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)nn1 225435094 VPJVAWCECHRLGP-NSHDSACASA-N 319.386 1.769 0 40 DDAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 96192161 XIIWCTFHUTWGEN-OLZOCXBDSA-N 306.410 1.807 0 40 DDAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 96251893 NWFFNLHEICFOQP-HZPDHXFCSA-N 322.430 1.211 0 40 DDAB O=C1CCCCN1CC(=O)N1CCO[C@@H](c2ccccc2)C1 97288214 FYGXMRQJVMRSBT-OAHLLOKOSA-N 302.374 1.599 0 40 DDAB CCS(=O)(=O)CCN1CCC(CN2CCCCC2=O)CC1 96443405 XFAHHCKJGAHMFC-UHFFFAOYSA-N 316.467 1.146 0 40 DDAB CC(C)C[C@H](NC(=O)c1ccncc1F)C(=O)Nc1cc[nH]n1 96449548 ZTYZFNXEQMSMOT-LBPRGKRZSA-N 319.340 1.727 0 40 DDAB O=C1CC[C@@]2(CCCN(S(=O)(=O)c3cccs3)CC2)N1 96217616 YEUGORLTWULIOD-CYBMUJFWSA-N 314.432 1.572 0 40 DDAB Cc1cc(CN2C[C@@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)oc1C 96185856 SWECWWOVCYRYJO-BZUAXINKSA-N 321.421 1.899 0 40 DDAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)N1CCCC1 96062081 HETOFARATXTWHO-ZDUSSCGKSA-N 314.393 1.720 0 40 DDAB CC(C)CNC(=O)CN1C(=O)[C@@H](C)N=C(O)c2ccccc21 97531373 WAVABXLKLKJGHR-LLVKDONJSA-N 303.362 1.499 0 40 DDAB O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1cccnc1)C2 96048708 DXJJHPOJHWYKQG-SFHVURJKSA-N 323.400 1.891 0 40 DDAB C[C@@]1(C(=O)NCCN2CCOCC2)CC(c2ccccc2)=NO1 96192717 RUSPRMYXDFPPLF-KRWDZBQOSA-N 317.389 1.018 0 40 DDAB O=C(NC1CC1)[C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96041166 ATJZFERIVGFXSW-RWMBFGLXSA-N 307.419 1.259 0 40 DDAB CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cnccc1C 96410751 PXXRRGUPDNRVCF-ZDUSSCGKSA-N 304.394 1.319 0 40 DDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1cccs1)CC[C@H]2OC 96108522 LLPFTHCMRRNDSS-RRFJBIMHSA-N 308.447 1.858 0 40 DDAB CC(C)S(=O)(=O)N(C)CC(=O)N(C)Cc1ccc(F)cc1 96447979 OGJUQTVQHGPTJV-UHFFFAOYSA-N 316.398 1.454 0 40 DDAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cc(Cl)ccn1 96412725 LWTMBSPPGCBYIA-GFCCVEGCSA-N 323.824 1.966 0 40 DDAB Cn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(=O)n(C)c1=O 98004057 STADKMQEHUMTGH-VZUCSPMQSA-N 317.732 1.230 0 40 DDAB CCCC[C@H](C(N)=O)N1CCN(c2ccncc2Cl)CC1 96487498 UMKSJFBHFNFQKX-CQSZACIVSA-N 310.829 1.901 0 40 DDAB CCc1ccc([C@@H]2COCCN2CCC(=O)N2CCOCC2)o1 96412990 IAFAMMJZCRSXFK-HNNXBMFYSA-N 322.405 1.464 0 40 DDAB O=C(c1ccnnc1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053614 AYOUTPJXGRUIMQ-ZFWWWQNUSA-N 308.341 1.212 0 40 DDAB COCCN1CCC2(CC1)[C@H](c1ccncc1)CC(=O)N2C 96069797 YJFLQKSYCLIBJN-HNNXBMFYSA-N 303.406 1.508 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccnc(O)c1 253535858 LNWHQBBXQXMOKM-JOCQHMNTSA-N 314.345 1.697 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2cc[nH]n2)C1 257253271 JYFAOSRFJDDUIZ-NSHDSACASA-N 321.406 1.081 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 257209871 BSFLZWKFMGZIMW-LBPRGKRZSA-N 317.393 1.952 0 40 DDAB CC(=O)N1C[C@@H]2CN(C(=O)C3CCCCC3)CCN2C(C)(C)C1 253395751 CLEGMVBGSXWCSA-INIZCTEOSA-N 321.465 1.720 0 40 DDAB biogenic,in-vitro Cn1cc(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)ccc1=O 257327611 XCAWAPNWQQUZPO-GFCCVEGCSA-N 300.362 1.203 0 40 DDAB Cc1cc(NC2CCCCC2)nc(C2CN(S(C)(=O)=O)C2)n1 257292580 QMELNZNQDSMODY-UHFFFAOYSA-N 324.450 1.888 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)Cc1ccccc1F 257311563 UKAWTSGCDAXBSQ-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB CNc1nccnc1C1CCN(CC2(O)CCOCC2)CC1 257216792 CWBIXKGFFVGTJD-UHFFFAOYSA-N 306.410 1.239 0 40 DDAB C=CC(=O)NC[C@H]1C[C@H]2[C@@H]3C[C@H](C[C@H]3CNC(=O)C=C)[C@H]2C1 255187494 DXVBNLBQGUEJQN-HIFUNWJGSA-N 302.418 1.889 0 40 DDAB CN(C)c1cncc([C@H]2CCCN2C(=O)Cc2ccncc2)n1 257227360 FOXXYAAYXPDGDK-OAHLLOKOSA-N 311.389 1.844 0 40 DDAB CO[C@H](CS(=O)(=O)Nc1nnc(C)o1)c1ccc(F)cc1 530156069 NBFFNKPOFHKFCX-LLVKDONJSA-N 315.326 1.647 0 40 DDAB Cc1oncc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 575604926 IAXYGGYXFQHUHL-UHFFFAOYSA-N 324.358 1.623 0 40 DDAB O=C(NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O)C1CNC1 585284359 HLMSQMGQJZZICN-VCTAVGKDSA-N 324.808 1.194 0 40 DDAB CCN(C)C[C@@H]1CC2(CCN(C(=O)c3cnc(C)[nH]3)CC2)CO1 585104568 QJKMIFMKTWOMGS-AWEZNQCLSA-N 320.437 1.681 0 40 DDAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 585095352 PSRNGLCEJAKBPB-CQSZACIVSA-N 312.439 1.075 0 40 DDAB CN1CCN(CC2(O)CCCCCC2)C[C@H](C(=O)N(C)C)C1 585282522 FONKCVGSPXYWMF-OAHLLOKOSA-N 311.470 1.024 0 40 DDAB COCCN(C)CCNC(=O)c1cc(Cl)c2c(c1)OCO2 69414084 UXKQOWMHPQYBIY-UHFFFAOYSA-N 314.769 1.377 0 40 DDAB CC(=O)N1CCC[C@@H]1CCc1ccc(NCCN(C)C)nc1 72366359 NWPHZOCZHHDRFO-MRXNPFEDSA-N 304.438 1.999 0 40 DDAB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 72300196 FAKAEDKRXZKPBC-ZIAGYGMSSA-N 313.423 1.022 0 40 DDAB NC(=O)C1(NC(=O)[C@@H]2COc3ccccc3O2)CCCCC1 73530402 AKOSGDLGPBTSOP-ZDUSSCGKSA-N 304.346 1.131 0 40 DDAB COc1ccccc1NC(=S)N[C@]1(C)CCS(=O)(=O)C1 5612226 JFYAYRBROWLFDM-CYBMUJFWSA-N 314.432 1.559 0 40 DDAB C[C@H]1Oc2ncc(Br)cc2N(CCN(C)C)C1=O 5587096 ISLJZNLKJIILNJ-MRVPVSSYSA-N 314.183 1.520 0 40 DDAB O=C(CCCCC(=O)NC[C@@H]1CCCO1)NC[C@@H]1CCCO1 5631099 ZBKSMRAOZVOEQA-KBPBESRZSA-N 312.410 1.137 0 40 DDAB C(=C/c1ccccc1)\CN1CCN(c2ccc3nnnn3n2)CC1 14068186 YSQOMLHOGVAMOA-QPJJXVBHSA-N 321.388 1.355 0 40 DDAB Cn1cc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)cn1 14185930 ZNWDCSUJSXAFQM-WDZFZDKYSA-N 302.334 1.821 0 40 DDAB CCSc1nnc(NC(=O)[C@H]2CCS(=O)(=O)C2)s1 15582473 UEIQPBQNEUJFLC-LURJTMIESA-N 307.422 1.023 0 40 DDAB Cc1ccccc1CNc1nc([C@H]2CC(=O)N(C)C2)cc(=O)[nH]1 19237276 XKRPBHPVNMBZCR-ZDUSSCGKSA-N 312.373 1.636 0 40 DDAB COc1cc(CN2CCc3c(O)nc(C)nc3C2)ccc1O 19576595 SBPTUYZZUPKZBG-UHFFFAOYSA-N 301.346 1.763 0 40 DDAB COc1ccc(NC(=O)CN2CCC(C(=O)O)CC2)c(OC)c1 19774916 ASWXVMIULOJSAL-UHFFFAOYSA-N 322.361 1.439 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 169297409 RHWMYSAVEUCXPV-RBGFHDKUSA-N 313.353 1.834 0 40 DDAB C[C@](O)(CNc1noc(-c2ccccc2)n1)CN1CCOCC1 157707963 FMDFZUYETOOJLC-INIZCTEOSA-N 318.377 1.232 0 40 DDAB COC(=O)C[C@@H]1C(C(=O)O)=C[C@@H]2CC(C)(C)C[C@@]21C(=O)CO 604377668 MXBHHWNJNMVKQA-ZYSBLVPFSA-N 310.346 1.174 0 40 DDAB biogenic,in-vitro O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)o1 1888844325 GRKXITBTNOWSPB-UHFFFAOYSA-N 323.150 1.451 0 40 DDAB Cc1cncc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)n1 1889078134 PTMLHDKOXZDXHV-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)Cn2ccccc2=O)n1 25406842 XBBJJNQDLAVLJI-UHFFFAOYSA-N 321.358 1.049 0 40 DDAB CC1CCN(C(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)CC1 25588511 QLVQIVGMQFXUIZ-ZDUSSCGKSA-N 315.377 1.688 0 40 DDAB CCCc1cc(C(=O)NCc2ccnc(-n3cccn3)c2)[nH]n1 32402838 YDVMWUOIMPBGCJ-UHFFFAOYSA-N 310.361 1.873 0 40 DDAB COc1cnccc1C(=O)N1C[C@@H]2OCCN(C(C)C)[C@@H]2C1 1565549950 KPYPCWZRZQEUBU-HIFRSBDPSA-N 305.378 1.024 0 40 DDAB O=C(NCCOCCn1cccn1)c1ccc2c(c1)OCO2 575620777 VBUQSQMULWELIB-UHFFFAOYSA-N 303.318 1.058 0 40 DDAB Cc1nnsc1C(=O)NCCn1cc(-c2cccnc2)cn1 585148373 KJJGYLNQUHVFML-UHFFFAOYSA-N 314.374 1.535 0 40 DDAB Cn1ccc2c(N3CCC(NC(=O)C4CCC4)CC3)ncnc21 2298179350 BQSQNJZGYAGXTP-UHFFFAOYSA-N 313.405 1.853 0 40 DDAB O=C(Cn1ccc2ccccc21)N1CC(Nc2ccncn2)C1 675008095 YSDIETQDMIYXHG-UHFFFAOYSA-N 307.357 1.754 0 40 DDAB O=C(c1cncc(Br)c1)N1CC(Cn2cncn2)C1 888106915 CKRDSXTZHNMSOH-UHFFFAOYSA-N 322.166 1.208 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1OC 298706 OOAPTPBMRROFQK-SNVBAGLBSA-N 301.364 1.161 0 40 DDAB Cn1nnnc1SCCS(=O)(=O)c1ccc(Cl)cc1 40460381 DHAZLKJEHRZKKQ-UHFFFAOYSA-N 318.811 1.430 0 40 DDAB CN(C)c1nc(N)nc(COc2ccc(-c3nnco3)cc2)n1 31705431 BUKZUROEZHQQPL-UHFFFAOYSA-N 313.321 1.149 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1csc(-c2ccco2)n1 40522262 NLNYWRPWJFOLRL-SECBINFHSA-N 305.359 1.802 0 40 DDAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H]3C(N)=O)cccc2c1 29353517 GIGZJWMCCYDCRA-GFCCVEGCSA-N 319.386 1.182 0 40 DDAB Cc1sc2ncn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c1C 109557 CJBJZQGJIQRFJU-LLVKDONJSA-N 321.402 1.370 0 40 DDAB CS(=O)(=O)c1ccc(NCc2ccc(C(N)=O)cc2)cc1 21056502 WZBBEOXTIJRQGS-UHFFFAOYSA-N 304.371 1.801 0 40 DDAB CC(C)(CNC(=O)Nc1ccc(N2CCOC2=O)cc1)C(N)=O 69772542 YDBPILPIUUJASZ-UHFFFAOYSA-N 320.349 1.276 0 40 DDAB O=C(NCCN1CCCC1)c1cnn(-c2ccccc2F)c1 69845276 HUTLYGIHZBQTHD-UHFFFAOYSA-N 302.353 1.837 0 40 DDAB CNC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 8645070 VSZUXINNQBNYBX-QGZVFWFLSA-N 311.341 1.353 0 40 DDAB CC(C)[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1 2635649 QJFZUVLMFHUTAI-LLVKDONJSA-N 305.407 1.915 0 40 DDAB COc1ccc(-c2nnc3cc(C)n4nnnc4n23)cc1OC 1581384 AFWDKJKFYMWJFT-UHFFFAOYSA-N 311.305 1.160 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCN)ccc12 2517186 ZLBMFVYCTXDWPT-ZDUSSCGKSA-N 303.362 1.496 0 40 DDAB in-vitro O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c[nH]1 21500042 ASGHSKLFILBRIJ-UHFFFAOYSA-N 320.248 1.931 0 40 DDAB Cc1c(C(=O)NC(C)(C)C(N)=O)cnn1-c1cccc(Cl)c1 71821891 GNRPGOSQFUPQGQ-UHFFFAOYSA-N 320.780 1.828 0 40 DDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)CO 32803287 RFBROCHCUGUJAC-WCQYABFASA-N 310.419 1.035 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 4904379 XBWCQLPOYGYWMW-RQJABVFESA-N 319.313 1.297 0 40 DDAB COC(=O)c1ccc(CNC(=O)[C@@H](NC(C)=O)C(C)C)cc1 7984218 XLVQLWQCLWQFGM-AWEZNQCLSA-N 306.362 1.250 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1cccn1 71866332 KPNUOYSOSQADGE-OAHLLOKOSA-N 315.421 1.857 0 40 DDAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1COCCO1 41426649 PONCAPNCOQONPM-CQSZACIVSA-N 306.362 1.435 0 40 DDAB CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 55745579 ZFQAVKSITRJVPX-NSHDSACASA-N 314.382 1.460 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2nccs2)CC1 47027396 DLWNWJYIGMNKPP-GFCCVEGCSA-N 320.422 1.260 0 40 DDAB Cc1ccnc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)c1 61721348 YCXRVPXMRGHQOT-UHFFFAOYSA-N 312.373 1.854 0 40 DDAB CC[C@H](C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 857587 SYKGPGSEHWCBHQ-JTQLQIEISA-N 317.345 1.594 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1Oc2ccccc2O[C@H]1C 42718692 FCJJRUNOBKTSKV-NHYWBVRUSA-N 306.362 1.152 0 40 DDAB COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC(C(N)=O)CC1 42951613 HARPNQDGWKFLLS-JTQLQIEISA-N 323.368 1.802 0 40 DDAB Cn1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)cc1=O 24752530 QCKPBACAUQRYGM-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB Cc1nc2ncnn2c(C)c1CC(=O)NCc1ccc(C)n1C 24992347 JZWSWOFIWUMJAL-UHFFFAOYSA-N 312.377 1.247 0 40 DDAB COC(=O)C[C@H](NC(=O)CCn1cncn1)c1cccs1 25087457 LJONALHKBMDQFR-JTQLQIEISA-N 308.363 1.150 0 40 DDAB C[C@@H](COc1ccccc1F)NC(=O)N1CCC(C(N)=O)CC1 56854518 YIYIMQULKMESPH-NSHDSACASA-N 323.368 1.500 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420700 BOIWXJVZSIEOPW-ARKGTOAJSA-N 324.380 1.151 0 40 DDAB Cc1ccccc1C1(C(=O)N2CC[C@H](C(N)=O)C2)CCOCC1 57434107 BUYHNQISXDDZDX-AWEZNQCLSA-N 316.401 1.377 0 40 DDAB O=S(=O)(NC[C@H]1CCCCN1)c1ccc(F)cc1Cl 44492765 ZCRBZMBTYOFDLM-SNVBAGLBSA-N 306.790 1.900 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 62132686 VZTNCNARBWTHHB-VIFPVBQESA-N 303.767 1.744 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)no1 48235195 HQDDKMURGRAORR-SNVBAGLBSA-N 301.302 1.736 0 40 DDAB COc1cccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1OC 28356747 JLLACJNJKOQGDZ-KADHNRKRSA-N 316.357 1.906 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 44979554 ZANFMSWEUXDYMU-YSKGHYERSA-N 315.416 1.072 0 40 DDAB Cc1cccc(S(=O)(=O)NCC(=O)NC2CCCCC2)c1 36105565 ITFJJIQWCPIFMV-UHFFFAOYSA-N 310.419 1.722 0 40 DDAB Cc1nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2nc1C 36139342 BZHPADLFZOUOID-GFCCVEGCSA-N 319.386 1.164 0 40 DDAB O=C(CCc1ccco1)NCCC(=O)NCc1ccncc1 58405996 ZSYQZIPGSHKNBP-UHFFFAOYSA-N 301.346 1.430 0 40 DDAB O=C(Cc1cccs1)NCc1ccc(N2CCOCC2)nc1 10718456 QRNVCNBTMCAGRS-UHFFFAOYSA-N 317.414 1.839 0 40 DDAB COc1ccccc1CCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 28427803 BAMPOBCSMMUNQY-AWEZNQCLSA-N 304.390 1.611 0 40 DDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCOC2=O)c1 3384703 CYQKPCWEAAJMQN-SNVBAGLBSA-N 318.734 1.216 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H](C)O1 11560754 NYSLAIBPWBLTPS-PHIMTYICSA-N 312.391 1.308 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)c1cn[nH]c(=O)c1Cl 48332308 LAWZPWIPHCRCEJ-UHFFFAOYSA-N 307.737 1.831 0 40 DDAB CCCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 48356680 KXJYZXCWWMYTIM-UONOGXRCSA-N 306.410 1.767 0 40 DDAB CN1C[C@@H](C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)CC1=O 69980566 QOVPFVFVCZURNA-HOTGVXAUSA-N 321.465 1.579 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2nc(C)no2)c1C 12935053 DCBWIXHKKAZABK-UHFFFAOYSA-N 307.306 1.857 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 13252354 MHWCFCIGKOYFER-OLZOCXBDSA-N 302.330 1.652 0 40 DDAB CN1CC(=O)N2CCc3c([nH]c4ccc(F)cc34)[C@@]2(C)C1=O 4073510 SZAGMIDBNOAFNR-INIZCTEOSA-N 301.321 1.379 0 40 DDAB biogenic NC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccco2)no1 64344500 RWESRHQVJINAQY-LBPRGKRZSA-N 310.313 1.746 0 40 DDAB NC(=O)[C@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 39987525 GRWQQWCTVCSVBA-GFCCVEGCSA-N 304.325 1.716 0 40 DDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1nncs1 65399547 HMXFOAUTVFRMNM-GHMZBOCLSA-N 311.411 1.161 0 40 DDAB Cc1csc([C@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n1 65475346 WXXRTQWKCHCGHE-CYBMUJFWSA-N 305.403 1.724 0 40 DDAB O=C1O[C@@H](N2CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc21 19842904 ACUNJJKADMFOCP-GDBMZVCRSA-N 316.357 1.179 0 40 DDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 65553603 FBDXFYNGRLQPGQ-GFCCVEGCSA-N 322.434 1.943 0 40 DDAB COc1ccc([C@@H]2NS(=O)(=O)N=C3CCCN32)c(OC)c1 6550028 HTKRCSMGYYXOIY-CYBMUJFWSA-N 311.363 1.045 0 40 DDAB CNC(=O)NC(=O)CSc1nnc(Cc2ccccc2)o1 6543963 LTGFSFUFPMFMNC-UHFFFAOYSA-N 306.347 1.208 0 40 DDAB CC1(C)C[C@@H](NC(=O)c2cc(F)ccc2-n2cnnn2)CCO1 71285719 ZTCJAKMKJAKAHJ-NSHDSACASA-N 319.340 1.489 0 40 DDAB CCc1ccccc1N(CC(=O)N[C@H](C)CC)S(C)(=O)=O 5667780 KKLWOHZDDQTQBM-GFCCVEGCSA-N 312.435 1.930 0 40 DDAB CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2nccn2C)c1 96007320 HOLLJSILOSMWOD-UHFFFAOYSA-N 321.402 1.681 0 40 DDAB O=C(NCCNC(=O)c1ccccc1F)c1nc(C2CC2)no1 15082897 BOWNEVDHZQKPSN-UHFFFAOYSA-N 318.308 1.246 0 40 DDAB O=C(Cc1cccc(F)c1)NN1C(=O)NC2(CCCCC2)C1=O 6993181 ICUBXLFMLRPNHJ-UHFFFAOYSA-N 319.336 1.654 0 40 DDAB CN(C)CCn1ccc2cc(NC(=O)c3nccnc3N)ccc21 71858800 RKGWMDAPZWXTGY-UHFFFAOYSA-N 324.388 1.827 0 40 DDAB C[C@H](NC(=O)Cn1nnc(-c2cccc(F)c2)n1)c1ccco1 7333890 ULHARZXZCHUUFH-JTQLQIEISA-N 315.308 1.950 0 40 DDAB CCn1c(CN2CCN(CCOC)CC2)nc2cc(F)ccc21 69624465 YVGLMCVHSTZNHM-UHFFFAOYSA-N 320.412 1.959 0 40 DDAB CC(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 71830450 KVYWRUYZCVTOMR-UHFFFAOYSA-N 313.401 1.802 0 40 DDAB Cn1c([C@H]2CCCN(C(=O)NCC(F)(F)F)C2)n[nH]c1=S 72285522 OCZXYLZWBVWZMY-ZETCQYMHSA-N 323.344 1.929 0 40 DDAB COc1ccc(-c2nc(CNC[C@@H]3CN(C)CCO3)no2)cc1 72267940 WUNZDIQGSVBNFZ-CQSZACIVSA-N 318.377 1.165 0 40 DDAB CCNS(=O)(=O)CCNC(=O)c1cc2cc(F)ccc2o1 72287484 MTBHCBQUIMXCOV-UHFFFAOYSA-N 314.338 1.241 0 40 DDAB OCCn1ncc2c(Nc3ccc4c(c3)OCCO4)ncnc21 97199968 RCWPXEYLDVPCLP-UHFFFAOYSA-N 313.317 1.333 0 40 DDAB O=C(NCCNC(=O)C1CCCCC1)NCCn1cccc1 84432666 DWJRVQCBXXLIJG-UHFFFAOYSA-N 306.410 1.484 0 40 DDAB CCc1cc(CNC(=O)NCc2cccc(N(C)C)n2)on1 95437584 OVOGCVLMVIHAQD-UHFFFAOYSA-N 303.366 1.697 0 40 DDAB C[C@@H](N1CCN(c2nc(N)nc3[nH]cnc23)CC1)C(F)(F)F 95939883 ILZYBISQIACFKP-SSDOTTSWSA-N 315.303 1.008 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)C[C@@H](C)O1 89704985 LAMLENQIUACMRT-VXGBXAGGSA-N 305.378 1.147 0 40 DDAB Cc1csc(CNC(=O)N2CCC[C@@H](c3nncn3C)C2)n1 89705609 PJUIHZPZVHKLRK-LLVKDONJSA-N 320.422 1.669 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)CCc1nc(-c2cccs2)no1 89937978 BJBRFQZUBMUJAY-NSHDSACASA-N 320.418 1.893 0 40 DDAB CCNC(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 41636259 JUHPIIFLGKROCT-UHFFFAOYSA-N 313.760 1.966 0 40 DDAB COc1ccc2cc(C(=O)NC[C@@H]3CCCO3)c(=O)oc2c1 33809271 VSPPGJZZNFHWIW-LBPRGKRZSA-N 303.314 1.710 0 40 DDAB Clc1cnc(N2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)nc1 548021164 XZFRIDHGBMGQFE-LLVKDONJSA-N 315.768 1.285 0 40 DDAB C[C@@]1(O)CCCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 526076478 DAQHSLJIUFRKPI-OAHLLOKOSA-N 309.435 1.807 0 40 DDAB C[C@H]1CN(C)C[C@@H](C(=O)NC[C@@H](C)Oc2cccc(F)c2)O1 527546295 GWCQUEWTMHYTCY-XUJVJEKNSA-N 310.369 1.428 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(O)nn2)C1 528793030 WPKDFMLBEHLDHL-OCCSQVGLSA-N 304.394 1.578 0 40 DDAB COc1ccc(C(=O)N2C(=N)O[C@H]3CSC[C@H]32)cc1OC 72342803 BSVGJAQUKGECLJ-SKDRFNHKSA-N 308.359 1.595 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c1 35686137 HSUVOTGSMQPCCT-GFCCVEGCSA-N 317.363 1.091 0 40 DDAB COc1cc2c(cc1OC)CCN([C@H]1CCCN(C)C1=O)CC2 539803314 HAHCMQIIEVNPAZ-HNNXBMFYSA-N 318.417 1.725 0 40 DDAB N[C@]12CC[C@H]1CN(C(=O)NCc1ccnc(-c3ccccn3)n1)C2 1553529727 XGCQSLDBICZFQP-SJCJKPOMSA-N 324.388 1.171 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC 218567885 CNDNXYYGASASDE-ILXRZTDVSA-N 315.410 1.708 0 40 DDAB C[C@H](N)C(=O)NC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393049 ZOLDVVHTTMHQJL-ZFWWWQNUSA-N 319.405 1.499 0 40 DDAB Cc1noc(C)c1-c1ccc2c(c1)OCC(=O)N2CC(=O)O 566021365 VPWONQMZYBPQIQ-UHFFFAOYSA-N 302.286 1.768 0 40 DDAB Cn1nccc1[C@@H]1CCC[C@H](NC[C@@]2(CCO)CCOC2)C1 560036647 KXOSHLKWVDGNNP-HLLBOEOZSA-N 307.438 1.825 0 40 DDAB COCc1nc(C)cc(N2CCC[C@H](c3nc(N)n[nH]3)C2)n1 521398540 NBFPVUDSSXLCTI-JTQLQIEISA-N 303.370 1.016 0 40 DDAB O=C1C[C@H](NC[C@]2(O)CCSC2)CCN1c1ccccc1 193137170 NLUXDDSDPFYLQB-CZUORRHYSA-N 306.431 1.640 0 40 DDAB c1ccn2c(CNC3CCN(c4nccs4)CC3)nnc2c1 195563009 HWNJJLOKSOKOJZ-UHFFFAOYSA-N 314.418 1.944 0 40 DDAB CC(=O)N[C@H](N1C[C@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl 229946323 INQURHWBKQKKHZ-ACLDMZEESA-N 303.617 1.928 0 40 DDAB CC(C)CN1CCO[C@H](COC(=O)c2cn3ccnc3s2)C1 190806596 INVDLLPLGBLJPA-LBPRGKRZSA-N 323.418 1.909 0 40 DDAB C[C@@H]1CO[C@@H](CO)CN1Cc1cnn(Cc2ccc(F)cc2)c1 225478354 JLNAMKAXDAGESW-CXAGYDPISA-N 319.380 1.652 0 40 DDAB OCCN1CCN(C2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)CC1 224085943 QYNZLWAIULROHW-JFIYKMOQSA-N 307.482 1.249 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 96181155 BBPACNFCPSVLKF-RISCZKNCSA-N 309.435 1.335 0 40 DDAB COc1ccccc1OCC(=O)N1CC[C@@H](OC)[C@H]2OCC[C@@H]21 96218247 SWHLHMGVSLTPQA-MJEQTWJJSA-N 321.373 1.479 0 40 DDAB CO[C@H](CNC(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 96413297 APQFHXZZCAQWSP-NEPJUHHUSA-N 320.311 1.987 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96075476 HHUDEBKVOCWXMN-CZUORRHYSA-N 304.394 1.050 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)c1ccccn1)CC2 96058809 SMDPUQMXYCGJFN-UHFFFAOYSA-N 311.389 1.569 0 40 DDAB Cn1ccnc1-c1cc(C[C@H]2CCN(c3ccncn3)C2)ncn1 257300378 RUBMHWPSIJWDBF-CYBMUJFWSA-N 321.388 1.736 0 40 DDAB COc1cccc(C[C@@H]2CC3(CCN(C(=O)CN)CC3)CO2)c1 257331973 XVEFOOWGTLAYHC-MRXNPFEDSA-N 318.417 1.594 0 40 DDAB CS(=O)(=O)N1CC[C@H](Cc2nccnc2-c2cncs2)C1 257266808 MEPGENJGUDDLIM-SNVBAGLBSA-N 324.431 1.424 0 40 DDAB CN(C)c1ncc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cn1 252479423 BERYGRLVQHZDLS-OLZOCXBDSA-N 305.382 1.718 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cnccn2)C1 257209521 BQTAMRNQZJETGI-CQSZACIVSA-N 302.334 1.224 0 40 DDAB CN(C(=O)c1cccnn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257304077 SJYXTXWEJALEFK-PMPSAXMXSA-N 313.357 1.520 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)N(C)Cc2ccc(Cl)cc2)C1 257223542 DXVUBZWZKAHPLL-MRXNPFEDSA-N 324.808 1.936 0 40 DDAB Cc1c(CN2CC[C@@H](c3[nH]ncc3C(=O)N(C)C)C2)cnn1C 257333994 YEBDSCUFGSDSSX-GFCCVEGCSA-N 316.409 1.143 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257248092 JCAYZCZVPXBTOL-MRXNPFEDSA-N 316.361 1.058 0 40 DDAB O=C(O)c1ccccc1CCC(=O)N1[C@H]2CC[C@H]1CC(O)C2 262259931 WQGMSMQQEDZEHC-STQMWFEESA-N 303.358 1.832 0 40 DDAB COc1ccc(S(=O)(=O)NCCCc2nncn2C)c(C)c1 585142032 MXPZBVOACZTWAQ-UHFFFAOYSA-N 324.406 1.043 0 40 DDAB CO[C@@H]1CCN(Cc2ccncc2)C[C@H]1CC(=O)N1CCCC1 585275101 WQGFGKOGXFWKJC-IAGOWNOFSA-N 317.433 1.931 0 40 DDAB Cc1csc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 43979503 GNJOVPOOUDESAF-UHFFFAOYSA-N 316.448 1.458 0 40 DDAB Cc1cn(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc12 50311077 MWNWNYRPWMTYFD-CYBMUJFWSA-N 320.414 1.501 0 40 DDAB CNS(=O)(=O)Cc1cccc(CNC(=O)CCC(C)C)c1 58282071 FKQQTEZKSUTERE-UHFFFAOYSA-N 312.435 1.788 0 40 DDAB CCn1nc(C)cc1C(=O)N1CCn2c(nnc2C(C)C)C1 69741974 DFZIFRBLBHHDBQ-UHFFFAOYSA-N 302.382 1.582 0 40 DDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC3CCCC3)[C@H]3CO[C@@H]2O3)n1 952844813 KYCXSQQCQJHTLE-DGXTUMSLSA-N 307.394 1.058 0 40 DDAB biogenic,in-vitro C[C@@]12CCCN(C(=O)c3cnccn3)[C@H]1CCc1cncnc12 72342436 DBCASHSRQYLLAK-WMLDXEAASA-N 309.373 1.775 0 40 DDAB CC(C)c1nc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c[nH]1 76057216 UNKAADCWERHLHG-JSGCOSHPSA-N 306.410 1.326 0 40 DDAB O=S(=O)(c1ccc(Br)cn1)N1CCSCC1 97002270 BUDROFGMOFUINA-UHFFFAOYSA-N 323.237 1.582 0 40 DDAB CO[C@@H](C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1 97147423 WGOCHFYCCPCMOJ-HUUCEWRRSA-N 316.332 1.856 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 5101222 GZIZQJIGTHWOFL-URBCHYCLSA-N 305.286 1.232 0 40 DDAB CCCNC(=O)Cn1nc(CC)n2c(cc3ccsc32)c1=O 12114286 KBKGWDFHEXORLT-UHFFFAOYSA-N 318.402 1.799 0 40 DDAB Cc1cc(NC(=O)C[C@H]2CSc3ncc(C)c(=O)n32)no1 14032314 WSNTYTOEVGKMQQ-VIFPVBQESA-N 306.347 1.524 0 40 DDAB O=c1c2sccc2nc2n1CCN(Cc1ccccn1)CC2 19401895 UOQBMOCUWZMKKO-UHFFFAOYSA-N 312.398 1.911 0 40 DDAB COc1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)ccc1O 12145332 SQWNVIAZNBOVKT-UHFFFAOYSA-N 301.346 1.351 0 40 DDAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)[C@H]1CC=CCC1 245171741 XSZOILOGGVTCGU-GXTWGEPZSA-N 303.358 1.964 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 22285601 MAJANVPKWSRLOL-GOEBONIOSA-N 315.417 1.103 0 40 DDAB CC(=O)Nc1ccccc1OCC(=O)NC(=O)NC1CCCC1 6064117 JIHUAPAPMILMDC-UHFFFAOYSA-N 319.361 1.792 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CCn1[nH]c(=O)ccc1=O 12993409 YQUFMBWOBPVRJU-UHFFFAOYSA-N 307.737 1.527 0 40 DDAB COc1ccc(CN2CCO[C@@H](C(=O)N3CCCC3)C2)cc1F 1888860175 QCFZRTGFQONWPI-MRXNPFEDSA-N 322.380 1.658 0 40 DDAB NC(=O)c1ccc(COC(=O)c2ccccc2-n2cnnn2)cc1 16813238 FQFMFDZGKRQLRS-UHFFFAOYSA-N 323.312 1.118 0 40 DDAB CCc1nnsc1C(=O)NC[C@@](C)(CC)N1CCOCC1 31925157 NOGOIHIWUWTJRD-CQSZACIVSA-N 312.439 1.331 0 40 DDAB Cc1cn([C@@H]2CN(C3CCCCC3)CC[C@@]2(C)O)c(=O)nc1O 2037849929 OZEKCKQEBSRZCA-RHSMWYFYSA-N 321.421 1.588 0 40 DDAB CCn1nc(C)c(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1C 2037983977 MQNRGPFTKKCCRT-HOCLYGCPSA-N 320.437 1.199 0 40 DDAB O=C(c1cc[nH]n1)N1CC[C@H]2O[C@H](COCC3CC3)CC[C@H]21 1565547466 PXVGJSKVWKNIJT-NWANDNLSSA-N 305.378 1.598 0 40 DDAB CNC(=O)c1nsc(C(=O)NCc2ccccc2F)c1N 49006202 LWTVQLIVASOKTE-UHFFFAOYSA-N 308.338 1.154 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cn3c(C)cccc3n2)c(=O)[nH]1 31494205 XIBNXYFAWCDJRO-UHFFFAOYSA-N 310.357 1.878 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1ccccc1=O 40460899 FOIUABNRGCUNNZ-UHFFFAOYSA-N 314.341 1.278 0 40 DDAB O=C(Cc1cccs1)Nn1nnnc1Nc1ccccc1 55390 HCMHXCHRRAZZNM-UHFFFAOYSA-N 300.347 1.791 0 40 DDAB COc1ccc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)c(OC)c1 182305 AIYLIAUOUWXAMQ-ZDUSSCGKSA-N 323.374 1.705 0 40 DDAB CC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 415088 PXEIHVHVGDANRM-SNVBAGLBSA-N 319.365 1.272 0 40 DDAB NC(=S)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 47267888 RTOBTFXQHAELEB-UHFFFAOYSA-N 314.366 1.980 0 40 DDAB CCc1nc(CN2CCN(C(=O)c3ccc(C)n3C)CC2)no1 78912487 WMMYHFINAZIVEQ-UHFFFAOYSA-N 317.393 1.237 0 40 DDAB CCCNC(=O)NC(=O)CN(C)Cc1nc2ccccc2o1 79105434 BSTJLNOQRRWNQJ-UHFFFAOYSA-N 304.350 1.495 0 40 DDAB CC(C)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)n[nH]1 79501825 QVKBEDGGYWPWKT-UHFFFAOYSA-N 319.365 1.186 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccsc1 42043221 ILKHWIOVZZJEDW-GFCCVEGCSA-N 316.448 1.221 0 40 DDAB COC[C@@H](C)NC(=O)CSCC(=O)Nc1cccc(C)c1 22624255 UGHMNXFPDAIQCB-GFCCVEGCSA-N 310.419 1.818 0 40 DDAB Cc1nc(-c2ccc(OCC(=O)N3CCO[C@@H](C)C3)cc2)no1 54193176 VJSGKIULHWGPRX-NSHDSACASA-N 317.345 1.671 0 40 DDAB COc1ccc(OC)c([C@H](O)CN[C@H](C)Cn2cc(C)cn2)c1 71874952 PKCASDLBIGTVPN-CZUORRHYSA-N 319.405 1.920 0 40 DDAB Cc1sc2nc([C@H](C)N3CCNC(=O)CC3)[nH]c(=O)c2c1C 54638711 RXKDCXBHRPEINJ-VIFPVBQESA-N 320.418 1.484 0 40 DDAB CN1CCN(CCCCNC(=O)c2ccc(F)c(F)c2)CC1 42752010 RXMLCFPHKLJPFI-UHFFFAOYSA-N 311.376 1.722 0 40 DDAB C[C@H](NC(=O)Nc1ccccn1)c1ccc(S(N)(=O)=O)cc1 43160375 AZXASKKNMXIVCL-JTQLQIEISA-N 320.374 1.612 0 40 DDAB O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 37793291 WUTZSCPHVZKDEV-HTQZYQBOSA-N 304.224 1.682 0 40 DDAB CCc1nc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cs1 107615653 RYFVOTLVOABZHI-UHFFFAOYSA-N 316.386 1.816 0 40 DDAB Cc1cc2nc(SCC(=O)NC3CCCC3)n(C)c(=O)c2[nH]1 57521283 RPBLTKUBTFOFBU-UHFFFAOYSA-N 320.418 1.721 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccccc1 1838447 WBIXLHSFDMHMOW-UHFFFAOYSA-N 311.337 1.771 0 40 DDAB CC(C)Oc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 57760065 UXNJSJPAEVQAMW-GFCCVEGCSA-N 312.391 1.782 0 40 DDAB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1C1CC1 10141510 YDWXWCVOVQXNBP-UHFFFAOYSA-N 314.345 1.852 0 40 DDAB COCCn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O 44873490 PBZNGDYNNYFWPW-GFCCVEGCSA-N 313.357 1.481 0 40 DDAB CCN(CC)C(=O)CCNC(=O)c1ccnc(-n2ccnc2)c1 58210635 ZYPJWVOULZANHK-UHFFFAOYSA-N 315.377 1.256 0 40 DDAB CN1CCO[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 58282964 RQZKRFZBLWTLCF-MRXNPFEDSA-N 304.390 1.536 0 40 DDAB NC(=O)[C@H](NCC(=O)NCCc1ccccc1)c1ccccc1 58283000 LBVBKHPVDDSTFT-QGZVFWFLSA-N 311.385 1.162 0 40 DDAB CNC(=O)NC(=O)CNc1cc(Cl)c(OC)c(Cl)c1 58215344 JHKMOYPLNKFYQH-UHFFFAOYSA-N 306.149 1.870 0 40 DDAB O=C(NCCNC(=O)C1CC1)c1ccc2[nH]c(=S)oc2c1 72813669 QXYHHXZIUDOOGM-UHFFFAOYSA-N 305.359 1.746 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCCCNC1=O 44968195 XDJZIEUABLGYHV-LBPRGKRZSA-N 319.361 1.225 0 40 DDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COC1CCCC1 44967024 ZQHPGVIEJHKELJ-UHFFFAOYSA-N 321.402 1.902 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2c(F)cccc2F)CC1 24710599 PEOKTRRQINMTNX-UHFFFAOYSA-N 318.345 1.208 0 40 DDAB CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1 3317835 QGHJNVJIYKMAPD-UHFFFAOYSA-N 310.357 1.927 0 40 DDAB COc1ccc(CCCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 62457808 FGBZLNUJYKUKKJ-LBPRGKRZSA-N 309.318 1.062 0 40 DDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 2368335 PLKDAZVAABCOJG-XJIUQZFPSA-N 323.389 1.148 0 40 DDAB COCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 5060941 MBMQZMFDGMPXRR-UHFFFAOYSA-N 323.330 1.431 0 40 DDAB O=c1[nH]c2cc(Br)c(Br)cc2[nH]c1=O 13743969 FVXPGHAWNRHHJD-UHFFFAOYSA-N 319.940 1.741 0 40 DDAB COCCCNC(=O)/C(=C\c1ccccc1)n1ccccc1=O 13897146 FHKVVMLFKNBPCK-JQIJEIRASA-N 312.369 1.999 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)Cn2ccnc2)cc1F 65424166 ABYJCULMJWSUNM-JTQLQIEISA-N 313.354 1.398 0 40 DDAB Cc1occc1C(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 14129162 GEQHZLTVXQVYFI-UHFFFAOYSA-N 305.334 1.734 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc(C)cs1 14254559 HBQDVODVKQLWDI-UHFFFAOYSA-N 315.464 1.917 0 40 DDAB O=C(O)c1csc(CCNC(=O)[C@H]2Cc3ccccc32)n1 90983439 RVYPWFSZLOYVFI-NSHDSACASA-N 302.355 1.840 0 40 DDAB CCc1nnc(CS(=O)(=O)c2ncccc2Cl)n1C 90989001 HLXKAHVYPNZSRM-UHFFFAOYSA-N 300.771 1.400 0 40 DDAB CC(C)[C@H](C(=O)N1CCN(C[C@@H](C)O)CC1)N1CCCCC1 70011073 WMLVPAGTLHSEKG-HZPDHXFCSA-N 311.470 1.022 0 40 DDAB CC1CCN([C@@H](C)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 69367211 OVBADLSOSXNALW-ZDUSSCGKSA-N 301.390 1.810 0 40 DDAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 70173541 HITABHYHNSAWDU-WCQYABFASA-N 300.399 1.715 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3nnc(C(C)C)o3)CCO2)c1 69420689 KJJBNKDXCORYSF-ZDUSSCGKSA-N 305.382 1.599 0 40 DDAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(N)=O)C1 69490550 PBBTZCQARSOTFJ-GFCCVEGCSA-N 313.357 1.988 0 40 DDAB CCC[C@@H]1NC(=O)N(Cc2nc(-c3ccccn3)no2)C1=O 69488102 MQINBDLZIKUEEV-JTQLQIEISA-N 301.306 1.352 0 40 DDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2ccccc2[C@H]1O 83996179 RKFPAFVCILCWIZ-DDTOSNHZSA-N 320.389 1.674 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1SC(F)F 17637000 YWLYUPYPUAYXST-SSDOTTSWSA-N 322.358 1.313 0 40 DDAB O=C(CN(CCO)[C@@H]1CCc2ccccc21)NCC(F)(F)F 69739403 ZXBVWLPISVNKML-CYBMUJFWSA-N 316.323 1.647 0 40 DDAB CC(=O)N1CCC[C@H](S(=O)(=O)Oc2cccc(F)c2)C1 69702064 CRWDUXIZJMNVOM-ZDUSSCGKSA-N 301.339 1.545 0 40 DDAB CC(=O)c1cccc(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 69874459 GQFCJQUACDGICQ-GHMZBOCLSA-N 312.391 1.655 0 40 DDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H](C)Cn1cccn1)C2 71860277 MRKCIVUENICWOK-GFCCVEGCSA-N 314.393 1.326 0 40 DDAB C[C@H](O)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97083394 YHFBOXNNACEBTR-CABZTGNLSA-N 303.280 1.986 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CSC(C)(C)C 72284903 BYIAULOIVFGQPL-UHFFFAOYSA-N 322.434 1.787 0 40 DDAB CC(C)c1nnc(CNC[C@H]2CCCN2c2cccnn2)o1 72279439 HPSNREPOSFFPOY-GFCCVEGCSA-N 302.382 1.742 0 40 DDAB Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](O)C1CC1)C(C)C 84234491 PNSCVBHHPSXALN-HOTGVXAUSA-N 318.417 1.637 0 40 DDAB Cc1cc(CN2CCCN(CC(=O)N3CCCC3)CC2)no1 73605351 FOQNSCMQQFFOGM-UHFFFAOYSA-N 306.410 1.113 0 40 DDAB CCN(C(=O)NCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 95955194 JFWXLOAJSUBPEJ-NSHDSACASA-N 315.395 1.010 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCc1c(C)cc(C)[nH]c1=O 75117890 NVYUXCDVQYWANH-CYBMUJFWSA-N 307.394 1.560 0 40 DDAB CC(=O)N[C@@H](C(=O)NC[C@@H](O)c1ccccc1C)C1CCCC1 89689182 HFBAGNSGMZTVGU-IAGOWNOFSA-N 318.417 1.840 0 40 DDAB Cc1cccc(O[C@@H](C)CNC(=O)NCc2nccn2C)c1 76088175 PZXQFTAXCXCPGY-ZDUSSCGKSA-N 302.378 1.995 0 40 DDAB O=C(Nc1cccc(CN2CCCCC2=O)c1)N[C@H]1CCNC1 520431109 ZWBHKMYHEBHTMC-HNNXBMFYSA-N 316.405 1.683 0 40 DDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217463988 QCJJMKPZCYYDLU-UHFFFAOYSA-N 316.379 1.130 0 40 DDAB Cc1cncc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72364469 HTYQBHVFXNICKB-UHFFFAOYSA-N 321.406 1.087 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Br)C1 218816422 PFOYMHFGSJUOHL-MRVPVSSYSA-N 322.228 1.603 0 40 DDAB CC(C)OCCN1CCN(C(=O)c2ccc(Cl)cn2)CC1 74389648 BXQXRFWETBUGTA-UHFFFAOYSA-N 311.813 1.918 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ncn1 525132067 LLMZDRGWVJDRRS-SRVKXCTJSA-N 316.361 1.287 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)N(CC)C(=O)CO2 227161924 CMGUDVNDOXTCQP-JTQLQIEISA-N 312.391 1.509 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=S)NC[C@@H]1CCCO1 225156419 KEUXZPMAFCNFNM-JTQLQIEISA-N 310.375 1.859 0 40 DDAB CCc1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223444446 GVJULBCLMSXZPR-UHFFFAOYSA-N 302.330 1.929 0 40 DDAB CC(C)COCCCNC(=O)Nc1ccc(-n2cnnn2)cc1 40477755 VCOSBESCJXMLFO-UHFFFAOYSA-N 318.381 1.847 0 40 DDAB CN(C)C1(CNC(=O)C(=O)Nc2cccc(O)c2)CCCCC1 40267317 WUIQZVZBNGOLQI-UHFFFAOYSA-N 319.405 1.711 0 40 DDAB COc1ccc(O[C@H]2COCCN(Cc3nccn3C)C2)cc1 85435996 CENIXISVUSMIRF-MRXNPFEDSA-N 317.389 1.709 0 40 DDAB biogenic,in-vitro Cc1ccc2nnc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2c1 46087910 QSDUGACDLCLUBH-GFCCVEGCSA-N 319.386 1.197 0 40 DDAB O=C(NC[C@@H](O)C1CCC1)Nc1cnn(-c2ccccn2)c1 574406487 BMQLCRJAPAKFON-CYBMUJFWSA-N 301.350 1.550 0 40 DDAB COc1ccc2c(c1)N(S(=O)(=O)c1cn(C)cn1)CCCC2 89103257 VCQZOFHGMXJDRN-UHFFFAOYSA-N 321.402 1.960 0 40 DDAB O=C1N(c2ccccn2)C[C@H]2CN(Cc3nccs3)CCN12 85436163 XKWOBSLIJWZDJS-GFCCVEGCSA-N 315.402 1.665 0 40 DDAB biogenic,in-vitro CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ncn(C)c1=O 96490162 UJSUZGDOZALMGR-LLVKDONJSA-N 306.391 1.179 0 40 DDAB Cn1cc(N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3)CC2=O)cn1 96192280 JOSFYHSBPIFJKW-VIFPVBQESA-N 320.299 1.690 0 40 DDAB CC(C)[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc2N1 96449137 TYZNBDKLFOZHKT-OCCSQVGLSA-N 322.430 1.904 0 40 DDAB CCc1ccc([C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C)o1 97233544 RZINICJGSXHKNK-CQSZACIVSA-N 320.393 1.641 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1Cc1cnn(C)c1 96061716 WDJZRIAESSTQNV-CVEARBPZSA-N 313.405 1.203 0 40 DDAB COC(=O)c1ccc2c(I)c[nH]c2n1 238407182 HZYDEEWKSXJMNC-UHFFFAOYSA-N 302.071 1.954 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 96415633 SZTZGIGSAZCYJV-CFVMTHIKSA-N 324.446 1.452 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)c1cccc(F)c1)CC2 96187682 DTBMHRYHTXRMTF-UHFFFAOYSA-N 314.364 1.923 0 40 DDAB O=C1N(CC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 96046890 LRFFHEXXNQLRJU-UHFFFAOYSA-N 312.435 1.203 0 40 DDAB C[C@H](Cc1c(F)cccc1F)NC(=O)N[C@H]1CCN(C)C1=O 96415312 HNJOMKUOFANBJB-RNCFNFMXSA-N 311.332 1.426 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3ccncc3)C2)C1 96051955 OQJCBXBLCURDSG-DLBZAZTESA-N 305.422 1.251 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048418 LIEPDLUKDVOHLK-WFASDCNBSA-N 305.382 1.194 0 40 DDAB CS(=O)(=O)N[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 96186851 JOQFTRSQVDZYPL-YNEHKIRRSA-N 316.448 1.029 0 40 DDAB O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1 96048584 LQOHZPPQJKHWBY-PBHICJAKSA-N 312.373 1.915 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc3c(c2)CCO3)C1 97235607 FNWOWDSVQIUIIM-AWEZNQCLSA-N 310.419 1.135 0 40 DDAB COC[C@@H]1CN(C)CC12CCN(C(=O)c1csc(C)n1)CC2 248137938 PFDJWOJOCHENLS-ZDUSSCGKSA-N 323.462 1.882 0 40 DDAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1 257209386 BQDZLNWCXVTCGA-AWEZNQCLSA-N 321.402 1.955 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2)n1 257344667 ZYFIRFPBQYOJFJ-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB CN(C(=O)CN1CCCC1=O)[C@@H]1CCCN(c2ccccn2)C1 257267411 MHEREELYDIAMQM-CQSZACIVSA-N 316.405 1.131 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257325804 WUMXQUMPOSZWKP-UMVBOHGHSA-N 315.772 1.802 0 40 DDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cscn3)CCO2)n1 257335314 YJQANZRVWPCUKY-SNVBAGLBSA-N 306.347 1.161 0 40 DDAB Cc1cc(C)n2nc(Sc3ncnc4c3cnn4C)nc2n1 390833006 ANKWBQOQEBCCSY-UHFFFAOYSA-N 312.362 1.569 0 40 DDAB Cc1ccc(NNC(=S)NCCCN2CCOCC2)c(C)c1 25461200 HPMVCITYGCZHOW-UHFFFAOYSA-N 322.478 1.817 0 40 DDAB COCc1noc([C@@H](C)N2CCN(CC3CCCC3)C(=O)C2)n1 97086145 MZWUKVZSDVDYDK-GFCCVEGCSA-N 322.409 1.611 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)c1ccc(C(F)(F)F)nc1 97107122 RNRMWTVPRNGAMR-JTQLQIEISA-N 318.295 1.978 0 40 DDAB COc1cc(C(=O)NCCNc2ccc(C)nn2)ccc1F 95966889 SPULSRHKGYPKPE-UHFFFAOYSA-N 304.325 1.775 0 40 DDAB Cc1cccc(S(=O)(=O)NC(=O)/C=C/c2ccccn2)c1 95976153 UCCXGIUPBYMZDJ-CMDGGOBGSA-N 302.355 1.908 0 40 DDAB C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)O 95970470 GBUJOSVKZBRJJK-VXGBXAGGSA-N 304.346 1.219 0 40 DDAB CC(C)C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 5713622 VGEOPRHOFMVTQV-UHFFFAOYSA-N 304.346 1.717 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc2c(c1)OCCO2 14239505 MWLXQGUFXSYBDU-ZDUSSCGKSA-N 320.370 1.424 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)N3CCCCC3)C2)o1 19748140 IISRVIZNUIXVRX-ZDUSSCGKSA-N 305.378 1.766 0 40 DDAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc[n+]([O-])cc1 5961725 YZFBVEXBJXTFEB-UHFFFAOYSA-N 314.341 1.986 0 40 DDAB O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCSCC1 1889099078 LMHNYFQBXBBWHT-HNNXBMFYSA-N 305.447 1.869 0 40 DDAB Cn1c(=O)c2[nH]c(Nc3ccccc3Cl)nc2n(C)c1=O 8581150 WNYQXOIYVOXWAJ-UHFFFAOYSA-N 305.725 1.357 0 40 DDAB Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccccc1 238967344 ZBVWBLXEBRBTOK-UHFFFAOYSA-N 324.388 1.725 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2csc(C)n2)Cc2cn(C)nc21 1614930083 RXDGYTBTSGLQJJ-LBPRGKRZSA-N 320.418 1.961 0 40 DDAB Cn1nnc2c1CCN(C(=O)C1(F)CC1)[C@@H]2COCC1CC1 1614935635 UCURFLTZNRUZSS-GFCCVEGCSA-N 308.357 1.170 0 40 DDAB O=c1c(=O)n(C[C@H]2CCCO2)ccn1Cc1ccc(Cl)cc1 2086968347 BKUJJBDMHTWFNQ-CQSZACIVSA-N 320.776 1.891 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1OC)C2 1565553827 KVUBDIPYODFPPR-NVXWUHKLSA-N 320.389 1.748 0 40 DDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 10326969 SOEOUNIDEPUYLV-NSHDSACASA-N 316.279 1.939 0 40 DDAB CN(C)C(=O)C1(n2ccnc2)CCN(C(=O)CC2CC2)CC1 2055713210 GNMROPSQBOXYFM-UHFFFAOYSA-N 304.394 1.089 0 40 DDAB COc1ccc(Nc2nc(NCCO)nc3nccnc23)cc1 9074367 HWNNOPHUDUYKHC-UHFFFAOYSA-N 312.333 1.576 0 40 DDAB COc1ccc(OC)c2sc(N3CCC[C@H]3C(N)=O)nc12 872618215 QXXOTFOOMJIYOC-QMMMGPOBSA-N 307.375 1.768 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)NCCNc1cnccn1 30881874 AOCLWIPNMMZDJO-CYBMUJFWSA-N 300.362 1.610 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100617324 XTVYWQYFLZVDAA-RVMXOQNASA-N 317.297 1.066 0 40 DDAB COC(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 50914228 UAGMLGQKPYCMOT-CYBMUJFWSA-N 303.424 1.229 0 40 DDAB CC(C)C(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1 40500855 BBOGNYJOKFQOAB-INIZCTEOSA-N 316.401 1.753 0 40 DDAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(=O)[nH]n2)cc1OC 40535609 FJUSXRXRTRSBEF-JTQLQIEISA-N 317.345 1.587 0 40 DDAB C[C@@H]1COCCN1C(=O)NCC(=O)N1CCc2ccccc21 102070193 RPWJRJXOSIHERV-GFCCVEGCSA-N 303.362 1.006 0 40 DDAB COc1cccc(COCC(=O)NCC(C)(C)CN(C)C)c1 32930889 OREZQOQFHOKDJL-UHFFFAOYSA-N 308.422 1.916 0 40 DDAB CCN1CCN(CCCNC(=O)c2cccc(N(C)C)c2)CC1 41567570 BZHDSLKFZJCWPZ-UHFFFAOYSA-N 318.465 1.510 0 40 DDAB CN(CC(=O)N1CC[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 53084407 DZGAJTVWFZJVIC-CABCVRRESA-N 322.430 1.079 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 42478628 YXLIRQBBSMHRKG-YPMHNXCESA-N 322.792 1.676 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCCn1ccnc1 83884492 YLYPKQHXKNBPGY-KGLIPLIRSA-N 307.394 1.901 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 42510174 VNDGLJPNGWSSMX-OLZOCXBDSA-N 322.409 1.787 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCn2c(nnc2C2CC2)C1 78788114 QCCWKMFNVHUKIY-STQMWFEESA-N 317.437 1.761 0 40 DDAB COC(=O)C1=CN(C(C)=O)C=C(C(=O)OC)C1c1ccccc1 1584523 ZZYPLYSFKZTNHI-UHFFFAOYSA-N 315.325 1.746 0 40 DDAB CC(=O)Nc1c(CCCCc2ccccc2)[nH]c(=O)[nH]c1=O 1748630 GLMDFVYLSZUVSH-UHFFFAOYSA-N 301.346 1.587 0 40 DDAB O[C@H](CN1CCN(c2cnccn2)CC1)c1ccc(F)cc1 42633235 GQPINERYKAZGOJ-OAHLLOKOSA-N 302.353 1.471 0 40 DDAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(S(C)(=O)=O)cc1 24213367 QKYWDYUBUNRBMT-JTQLQIEISA-N 320.370 1.269 0 40 DDAB Nc1ccccc1-c1nnn(CC(=O)NCc2ccccc2)n1 4217942 QJAQFLGGHWEYCZ-UHFFFAOYSA-N 308.345 1.239 0 40 DDAB COc1ccccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 83976204 VZVCRMQYPNSMHO-CYBMUJFWSA-N 312.373 1.884 0 40 DDAB CCS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 43953329 ARLPGBWBWBLVHV-LBPRGKRZSA-N 312.391 1.781 0 40 DDAB CC(C)NC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 108369290 ATNDWYCDJZEEFC-IRXDYDNUSA-N 323.481 1.619 0 40 DDAB Cc1ccc(CN2CCOC[C@]3(C[C@@H](CN(C)C)CO3)C2)o1 107738574 DYLCPCYQUOSQBJ-RDJZCZTQSA-N 308.422 1.757 0 40 DDAB Cc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)C(C)C)n3n2)cc1 9319226 KGNVROXURNPSTG-UHFFFAOYSA-N 311.345 1.988 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)NCCc2ccco2)cc1 44868173 GNXVMGITTBNBDR-UHFFFAOYSA-N 322.386 1.219 0 40 DDAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)N1CCOCC1 44896232 ACCFBJIROCULEV-LLVKDONJSA-N 302.371 1.396 0 40 DDAB CCN(CC)c1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1 58289627 BEKMZENHMXLVLJ-UHFFFAOYSA-N 315.377 1.467 0 40 DDAB CCCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 2179251 RBYGARHLOTZZLF-UHFFFAOYSA-N 318.826 1.941 0 40 DDAB Cc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1S(N)(=O)=O 12675834 VYHPGGZPIYGSLL-UHFFFAOYSA-N 313.375 1.414 0 40 DDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2cnoc2C)C3)n1 107710217 ANFBZPYDVLRIQJ-IUODEOHRSA-N 318.333 1.247 0 40 DDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccccc3F)cc21 29817072 CMQODUHCTFAOCF-UHFFFAOYSA-N 314.316 1.963 0 40 DDAB COc1cccc(CNC(=O)c2nn(C)c(=O)c3ccccc23)c1 2629735 ASNLILWJHZIKGM-UHFFFAOYSA-N 323.352 1.872 0 40 DDAB CCNC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1 2618902 VASLZLONQYHWSW-UHFFFAOYSA-N 301.346 1.782 0 40 DDAB Cc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)c(C)s1 25051320 QXEOWXBMXRMJSY-UHFFFAOYSA-N 307.379 1.555 0 40 DDAB CNC(=O)NC(=O)CCN1C[C@@H](c2ccccc2)OCC1(C)C 67230545 IDBQMLQPFSYUGO-AWEZNQCLSA-N 319.405 1.684 0 40 DDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)o1 3439896 MNBHPBQUNUHAJV-UHFFFAOYSA-N 306.274 1.364 0 40 DDAB Cc1ccc(-n2nc(C)c(/C(O)=N/S(C)(=O)=O)n2)c(C)c1 48479925 CMRLNWWXCHQJER-UHFFFAOYSA-N 308.363 1.457 0 40 DDAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccncc1 5205909 BYRDIHIIDHRIKB-UHFFFAOYSA-N 310.309 1.883 0 40 DDAB biogenic CCN1CCN(C(=O)NCc2cccnc2-n2cccn2)CC1 65444427 WSWQUSDNQVPOHS-UHFFFAOYSA-N 314.393 1.114 0 40 DDAB CCCCCNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 65591753 KCDJPJMPCMKIDN-GFCCVEGCSA-N 305.444 1.290 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1 14185951 XWPQBDDQOWCNGJ-UHFFFAOYSA-N 303.318 1.410 0 40 DDAB Nc1c(C(=O)NCc2ccco2)nnn1Cc1ccc(F)cc1 4852303 KQUBCRIUDISMGE-UHFFFAOYSA-N 315.308 1.571 0 40 DDAB O=C(NCCCn1cccn1)c1ccc(Cn2cccn2)cc1 28573369 OIELGMFQMOAJOM-UHFFFAOYSA-N 309.373 1.948 0 40 DDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@@H]2CCCO2)C1=O 7501931 VBOLZQCNWNEDNJ-MEDUHNTESA-N 318.329 1.361 0 40 DDAB CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCC 7541741 MHNIMHDXUNCUCS-UHFFFAOYSA-N 312.761 1.450 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1cnn(C)c1 71796848 CCABFVCGLZOANU-HNNXBMFYSA-N 301.394 1.677 0 40 DDAB Cc1cc(N[C@@H]2CCc3nc(C(C)C)nn3C2)n2ncnc2n1 70006933 CMDQKGMRQXWGSC-LLVKDONJSA-N 312.381 1.575 0 40 DDAB CC(C)(C)c1cnc(CN2CCO[C@@H](Cn3cncn3)C2)o1 70008543 FYQVQTVQCXTXQI-GFCCVEGCSA-N 305.382 1.465 0 40 DDAB O=C1O[C@@H](C(=O)NCc2nnc3ccccn23)Cc2ccccc21 8312566 LBXHHPAGLGKIKT-CYBMUJFWSA-N 322.324 1.127 0 40 DDAB c1cncc(-c2noc(CN3CCC[C@H]3Cn3cncn3)n2)c1 69484663 KPHAJCXVDXFAAQ-ZDUSSCGKSA-N 311.349 1.388 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccncc2)n[nH]1 8476272 IMZWAUBMWKNMGR-QMMMGPOBSA-N 320.378 1.193 0 40 DDAB CON(C)C(=O)c1cc(S(C)(=O)=O)ccc1Br 69696422 DEISMNKQVNJSJH-UHFFFAOYSA-N 322.180 1.486 0 40 DDAB CC(C)n1cc(CN2CCCN(C(=O)[C@@H]3CCOC3)CC2)cn1 69700137 HQTORSXTYFLXAE-MRXNPFEDSA-N 320.437 1.535 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)cc1)c1ccc2nnnn2n1 8851456 ISQVDQPDNKLADE-UHFFFAOYSA-N 317.740 1.248 0 40 DDAB O=C(Cn1cnc2c(c1=O)CCCN2)NCc1ccc(F)cc1 71893837 CTEXKFVJMKBMKA-UHFFFAOYSA-N 316.336 1.057 0 40 DDAB C[C@@H](O)CN1CCN(Cc2nc(-c3ccoc3)no2)C[C@H]1C 71864643 QAFBWPAMIVUSQX-VXGBXAGGSA-N 306.366 1.217 0 40 DDAB Cc1cc(Cl)c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C 97080274 OOUJZQYWTINTKT-LBPRGKRZSA-N 324.808 1.934 0 40 DDAB CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(Br)c[nH]1 97019281 GOPGJGGZJXOSDF-MUWHJKNJSA-N 307.213 1.619 0 40 DDAB CN(C)CCn1cc(NC(=O)NCCc2ccc(F)cc2)cn1 72277214 NFRJQGGIPFRHHL-UHFFFAOYSA-N 319.384 1.948 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H](c2noc(C)n2)C1 72231914 NCPLEMRTEDFWBO-VIFPVBQESA-N 307.379 1.812 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)NC(=O)Nc1ccccc1F 25401227 OLEMZJCAOZPDGB-SSDOTTSWSA-N 324.341 1.178 0 40 DDAB COc1ncc(NCc2ccccc2-n2cccn2)cc1C(N)=O 95992366 XPKUFOUJQFVRHV-UHFFFAOYSA-N 323.356 1.987 0 40 DDAB CCn1nc(C)c(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1C 89482588 ODTHUOGJCMGELT-GFCCVEGCSA-N 307.398 1.604 0 40 DDAB CC[C@@H](CNc1nn2c(=O)cc(C)nc2s1)N1CCCC1 89943485 HCMWQISDXCIBHC-NSHDSACASA-N 307.423 1.746 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)[C@@H]1SCCc2sccc21 89917314 RJAXDOQTBSNFOE-LLVKDONJSA-N 310.444 1.816 0 40 DDAB Cc1noc(CCCNS(=O)(=O)c2cccc(F)c2C)n1 76062180 XMGFRQUEBXZLNL-UHFFFAOYSA-N 313.354 1.737 0 40 DDAB O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]c(=O)[nH]1 76087998 HFXPNHMHMNIDBN-ZETCQYMHSA-N 320.658 1.785 0 40 DDAB CC(C)COCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 76085425 JNIRHEZTKWUQGD-CQSZACIVSA-N 323.441 1.361 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)n(C)n2)cc1 28577142 KMLXWBCKZFXWGL-UHFFFAOYSA-N 308.363 1.488 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1C[C@@H]2C=C[C@H]1C2 61717482 RPVUQQKYFIJTBV-FRRDWIJNSA-N 309.369 1.794 0 40 DDAB CCc1c(O)nc(SCC(=O)Nc2cc(C)on2)[nH]c1=O 20191127 NSCPDFMCJPIVPZ-UHFFFAOYSA-N 310.335 1.065 0 40 DDAB Cc1cc(C[C@H](C)NC(=O)Nc2cccc(N(C)C)n2)n[nH]1 124254373 XWTOGKZCTKNRJJ-JTQLQIEISA-N 302.382 1.932 0 40 DDAB CSCCN1C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C1=O 185800346 DFEFMSQRJXUARO-KBPBESRZSA-N 304.415 1.466 0 40 DDAB CN(C)C(=O)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 306143432 YCDVGWSSSWUEAA-GFCCVEGCSA-N 305.382 1.051 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@]23C=C[C@@H](CC(=O)C2)O3)cc1 3851524 PTBCFXURAVOCSH-DZGCQCFKSA-N 307.371 1.330 0 40 DDAB biogenic O=[S@]1[C@H]2CC[C@H]1CN(Cc1cc(O)nc(C3CC3)n1)CC2 528789704 SMRSNMJHDITCTP-BYVOGVQKSA-N 307.419 1.545 0 40 DDAB CON(C)C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 36037307 PPECVTPOMJZHRW-ZUZCIYMTSA-N 311.382 1.143 0 40 DDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(F)c1F 77844913 GDCMEJSPFRXDOU-RFAUZJTJSA-N 314.332 1.817 0 40 DDAB CC(C)NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769043 ABGONJWNEFDZOL-UHFFFAOYSA-N 305.353 1.718 0 40 DDAB Cc1nnc(CN2CCc3c(cccc3N3CCOC3=O)C2)o1 75916843 JGWLJLIKEFUENZ-UHFFFAOYSA-N 314.345 1.893 0 40 DDAB CO[C@@H]1CCC[C@@H]1OC(=O)CCc1c(C)nc2ncnn2c1C 78985630 UXAKAXVYQCLJDY-KGLIPLIRSA-N 318.377 1.784 0 40 DDAB O=C(O)c1nn(CC(F)F)cc1I 72339376 NBDBAHQFYAYJOR-UHFFFAOYSA-N 302.018 1.451 0 40 DDAB CCOC(=O)c1cc(C)nn(CC(=O)NC2CCCCC2)c1=O 225962283 JMFSHGBWZPEQDY-UHFFFAOYSA-N 321.377 1.177 0 40 DDAB COC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 85877856 FQXZJVRUDIJDQZ-UHFFFAOYSA-N 316.357 1.560 0 40 DDAB biogenic COCCN1CCN(Cc2ncccc2C(F)(F)F)CC1=O 225563950 QFUHDNATPTYHBG-UHFFFAOYSA-N 317.311 1.391 0 40 DDAB O=C(NC[C@]1(O)CCSC1)c1ccn(-c2ccccc2F)n1 82966047 SSIRFHNNWHYIJL-OAHLLOKOSA-N 321.377 1.609 0 40 DDAB CC(C)(O)C(=O)N1CCN(c2nc3ccccc3s2)CC1 191770362 QUELYQSRJOXHSX-UHFFFAOYSA-N 305.403 1.716 0 40 DDAB O=C(NCc1cnc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 332147751 MWGCWDNIJACVGM-CYBMUJFWSA-N 304.371 1.286 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@H](C)C(C)(C)C)ccc1=O 96413524 HFFNBWUDNTWRKE-NSHDSACASA-N 307.394 1.605 0 40 DDAB O=C1C[C@]2(CN1)CN(Cc1cccnc1)CCN(CC1CC1)C2 96238329 SMSLOGHXIWCDLH-GOSISDBHSA-N 314.433 1.116 0 40 DDAB Cc1noc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)n1 331512994 PXMYSBMYCZYMKZ-LLVKDONJSA-N 322.287 1.367 0 40 DDAB CO[C@@H](C)CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 95401105 DZQAZXBSFHPNRJ-ZETCQYMHSA-N 304.268 1.584 0 40 DDAB CC(C)OCc1nn(C)c2c1CCN(Cc1cnn(C)c1)C2 96084994 PBGLLORITVZXEW-UHFFFAOYSA-N 303.410 1.637 0 40 DDAB CCCS(=O)(=O)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96050704 OBKFZLIYDRMWSE-OAHLLOKOSA-N 323.418 1.250 0 40 DDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC1CCC1 96473516 USDMFCZUJMTTIO-LBPRGKRZSA-N 307.398 1.749 0 40 DDAB O=C(CN1CCc2sccc2C1)Nc1ccnc2ccnn12 96412488 ZKPHWBYRNPGLNX-UHFFFAOYSA-N 313.386 1.788 0 40 DDAB CC1(C)O[C@H]2NC(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3OC[C@H]21 96306165 RABQDEDLDXSAFJ-GASQSECBSA-N 302.330 1.369 0 40 DDAB COC(=O)c1ccc2c(c1)CN(C[C@H]1CCCO1)C(=O)CO2 96530228 LEGGJKFWCXVOOA-CYBMUJFWSA-N 305.330 1.373 0 40 DDAB C[C@H](Cc1ccccc1F)NC(=O)C(C)(C)NS(C)(=O)=O 96426281 HYXUFRRGZDRTKE-SNVBAGLBSA-N 316.398 1.201 0 40 DDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccco4)C[C@H]23)CC1 96056255 KVWKQFXHBZMXJE-RYQLBKOJSA-N 319.449 1.364 0 40 DDAB COCCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 96183610 BGLZBPSUZBFQDA-MELADBBJSA-N 310.419 1.243 0 40 DDAB Cc1nnc(C[C@@H]2C[C@H]3CN(Cc4scnc4C)C[C@H]3O2)o1 96215397 XZAQLXFBPQFOBS-RWMBFGLXSA-N 320.418 1.975 0 40 DDAB Cc1ccc(N2CCC3(CC2)C(=O)N(C(C)C)CCN3C)nn1 96230053 TWLUDXQUHCNGGK-UHFFFAOYSA-N 317.437 1.306 0 40 DDAB CNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F 257200404 ADDSEGJOKQXRRB-DOMZBBRYSA-N 308.353 1.498 0 40 DDAB O=C(CN1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1)N1CCCCC1 257311487 UJRZWRWOJBXTKV-HZPDHXFCSA-N 322.380 1.262 0 40 DDAB CCCc1cc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2C)no1 257202050 AKGJPWZHNLJTNS-CYBMUJFWSA-N 304.350 1.872 0 40 DDAB COc1ccccc1[C@H]1CN(Cc2nccn2C)CCN1C 257216083 CTADPHGNNSLEPE-OAHLLOKOSA-N 300.406 1.917 0 40 DDAB COCCC(=O)N1CCC[C@@H]1c1cncc(-c2nc(C)c[nH]2)n1 257229300 FXNZZHJABJGVIC-CQSZACIVSA-N 315.377 1.875 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2noc3c2CCCC3)[C@H]1O 257316255 VEVNUQKEBRLKTK-UXIGCNINSA-N 308.378 1.602 0 40 DDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H]1O 257301024 RWPOJYHHWVYGGH-IIAWOOMASA-N 317.393 1.049 0 40 DDAB CNC(=O)[C@]1(C)CN(C(=O)c2cc3ccccc3s2)CCO1 257282278 OTCMUCGMHOJITK-INIZCTEOSA-N 318.398 1.878 0 40 DDAB COCCCNC(=O)CN(C)c1nc2c(F)cccc2n1C 252486828 HPCSNWYQQZKLBS-UHFFFAOYSA-N 308.357 1.301 0 40 DDAB c1cnc(N2CCC3(CC2)C[C@H](Cc2cnccn2)CO3)nc1 257337098 YRIQPGQTTLXVIY-AWEZNQCLSA-N 311.389 1.885 0 40 DDAB Cn1nc([C@@H]2CCCN(C[C@H]3CCOC3)C2)c2nccnc21 257225304 FFROMVGROGKPKJ-CHWSQXEVSA-N 301.394 1.579 0 40 DDAB COCC(=O)N1CC[C@H](Cc2cnc(-c3cc(C)n[nH]3)cn2)C1 257324985 WQZXVHQHAKOREN-GFCCVEGCSA-N 315.377 1.213 0 40 DDAB CCOC(=O)[C@@](C)(O)CN1CCC(C)=C(Br)C1 280484610 AJIQZRRBLAETDE-LBPRGKRZSA-N 306.200 1.675 0 40 DDAB COC(=O)c1ccc(CN2CC(c3nc(C4CC4)no3)C2)o1 90563464 UZGDSHAZIBGZHY-UHFFFAOYSA-N 303.318 1.926 0 40 DDAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCCO)CC1 298811173 XWMMWMCPDIOQFU-UHFFFAOYSA-N 304.390 1.346 0 40 DDAB Cn1nnc2c1C[C@@H](C(=O)Nc1nc3c(s1)COCC3)CC2 290398150 HQHRJCCOYKJQKB-QMMMGPOBSA-N 319.390 1.088 0 40 DDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2c[nH]cc2C)C1 576964214 AFWRTMYNUTXRQD-JSGCOSHPSA-N 305.378 1.175 0 40 DDAB CC(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)OC1 575405926 KYQYJFZGSXSESA-MELADBBJSA-N 308.422 1.422 0 40 DDAB O=C(NC1CCCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CC2)O1 585108703 DGDXJZNEIZFPGX-MGPQQGTHSA-N 324.396 1.696 0 40 DDAB CC(C)N1Cc2ccnn2[C@@H](CCNC(=O)c2cscn2)C1 585112244 LTJRYIMELJNBEK-LBPRGKRZSA-N 319.434 1.925 0 40 DDAB O[C@@]1(COc2ccc(F)cc2)COCCN(c2ncccn2)C1 585275207 AHKHXZZBIGNLQO-MRXNPFEDSA-N 319.336 1.262 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)c1cn3c(C)cccc3n1)C2 71860128 IGPFSYPAJLZCAQ-UHFFFAOYSA-N 322.372 1.673 0 40 DDAB CCN(CC(=O)NC)C[C@@H](O)c1cccc(C(F)(F)F)c1 56509370 HYZQAWJJYCKRRK-GFCCVEGCSA-N 304.312 1.807 0 40 DDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CCS(C)(=O)=O 75413456 NVKCGHJTWGEORD-AWEZNQCLSA-N 315.410 1.944 0 40 DDAB OC[C@@H](O)CSCc1nnc(-c2ccc(Cl)cc2)o1 89793878 MQCNVWYEMGTVQR-SNVBAGLBSA-N 300.767 1.976 0 40 DDAB O=S(=O)(NCCSC1CCOCC1)c1ccccc1 131103011 AENUPEBVTXOCRV-UHFFFAOYSA-N 301.433 1.877 0 40 DDAB CCn1ncc(-c2ccnc3nc(CCC(=O)O)nn23)c1C 12399059 MGAMMXVHEKTWCP-UHFFFAOYSA-N 300.322 1.333 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(C)ccc1C 17053743 UPBOCSUILIFYRE-LBPRGKRZSA-N 316.357 1.825 0 40 DDAB Cn1cncc1CN1CCc2nc3sccc3c(=O)n2CC1 19291839 ARKWVZYCJNFFEH-UHFFFAOYSA-N 315.402 1.250 0 40 DDAB CC(C)CC(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 19446588 MDYBOFHWDOLMRE-KDOFPFPSSA-N 314.385 1.876 0 40 DDAB O=C1C[C@@H](C(=O)N2[C@H]3CC[C@H]2COC3)CN1c1ccc(F)cc1 107098822 YMZSNMIZDCJLHY-UGFHNGPFSA-N 318.348 1.568 0 40 DDAB CCOc1ccccc1C(=O)OCC(=O)NCC(F)(F)F 3330704 OVMJNQPPJIAMIF-UHFFFAOYSA-N 305.252 1.921 0 40 DDAB C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1sccc1C(N)=O 10028189 QJUVNPPZAYFCTR-MRVPVSSYSA-N 319.342 1.426 0 40 DDAB O=S(=O)(N[C@@H]1CCN(C2CCOCC2)C1)c1cccs1 1888918041 ATIZZJWGEYFAPF-LLVKDONJSA-N 316.448 1.280 0 40 DDAB Cc1nnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 14714790 KSGBVFNHPVODCN-UHFFFAOYSA-N 315.358 1.654 0 40 DDAB CN1CCCC[C@]2(CN(CCc3ccccc3)CCO2)C1=O 2037981145 WSXRIGVZWABDSV-SFHVURJKSA-N 302.418 1.942 0 40 DDAB COc1ccccc1OCC(=O)NCCOCCn1cccn1 1565523199 IXEQJCDZNDNWND-UHFFFAOYSA-N 319.361 1.104 0 40 DDAB CNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007598 ZRFLSKXXKOKEJQ-UHFFFAOYSA-N 313.357 1.192 0 40 DDAB C=COCCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12363734 SLKHXBYEGQQWAW-UHFFFAOYSA-N 310.375 1.400 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]1O2 2055739456 ZXRCAPIZOMNWSN-YNEHKIRRSA-N 308.765 1.316 0 40 DDAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1ccc(C)o1 2055759306 JVXJFKOZIVZLHM-GFCCVEGCSA-N 319.361 1.475 0 40 DDAB CCCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40161265 BUSGSJMPUSRZGC-MRXNPFEDSA-N 305.422 1.987 0 40 DDAB O=C(O)c1nn(-c2nc3ccccc3[nH]2)c(=O)c2ccccc12 40165640 BXBIVTVLEKHQAY-UHFFFAOYSA-N 306.281 1.960 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(S(C)(=O)=O)cc2)no1 40467380 RGEDNEZUKMEUBO-JTQLQIEISA-N 324.358 1.793 0 40 DDAB COc1cc(OC)cc(C(=O)NCCN2C(=O)CSC2=O)c1 40554743 JWXPIUJCFDDBCP-UHFFFAOYSA-N 324.358 1.129 0 40 DDAB CCn1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1=O 40554162 YSYSJPRHZXADPU-UHFFFAOYSA-N 314.313 1.947 0 40 DDAB CC(C)CCNC(=O)CCCn1nnc2ccccc2c1=O 32091495 SNBHBQSJEQJJTO-UHFFFAOYSA-N 302.378 1.734 0 40 DDAB COCCCNC(=O)CN(C)Cc1cn2c(C)cccc2n1 51649707 HXKCXSNOQFVNFQ-UHFFFAOYSA-N 304.394 1.227 0 40 DDAB Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)cnn1C 32873689 MBVAMTFJOQQPPK-LBPRGKRZSA-N 301.346 1.641 0 40 DDAB COC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@H]2CO)cc1 103271601 BCEQAJOMZHTGNU-GJZGRUSLSA-N 323.389 1.060 0 40 DDAB O=C1C[C@H](C(=O)N2CCO[C@H]3CCC[C@@H]32)CN1Cc1ccco1 53376098 NTLUDGDOQCVOTR-QEJZJMRPSA-N 318.373 1.408 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)c1cn(Cc2ccccc2)nn1 77743868 SYUCTPMOBMOJBV-OAHLLOKOSA-N 314.389 1.825 0 40 DDAB O=C(c1cccc(F)c1F)N1CCN([C@H]2CCC[C@H]2O)CC1 78788664 QEASTTZFCBARDL-UONOGXRCSA-N 310.344 1.636 0 40 DDAB O=C(CCc1nccs1)N1CCN([C@H]2CCC[C@H]2O)CC1 78789423 WDOMNMJGWAINDL-QWHCGFSZSA-N 309.435 1.133 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCN1Cc1ccccc1 78875760 MYJVNAMMRLHPNZ-DOTOQJQBSA-N 317.433 1.098 0 40 DDAB CN(CC(=O)N1CCc2ccccc21)C1CCS(=O)CC1 78969855 KEURHFXZUSAMSH-UHFFFAOYSA-N 306.431 1.419 0 40 DDAB O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4163822 YNGMLSKSWGCPPB-XQHKEYJVSA-N 309.749 1.834 0 40 DDAB Cn1ncc2c(N3CCOCC3)nc(Nc3ccccc3)nc21 4272786 AOHCZUCYEGQBRP-UHFFFAOYSA-N 310.361 1.944 0 40 DDAB CNC(=O)NC(=O)COC(=O)CSc1ccc(Cl)cc1 6440740 PYFNNJUQUPBRPA-UHFFFAOYSA-N 316.766 1.431 0 40 DDAB O=C(OCC(=O)N1CCCC1)[C@H]1CCCN(c2nccs2)C1 95381541 MXYHWFWYPAMLFZ-LBPRGKRZSA-N 323.418 1.525 0 40 DDAB CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(F)c(F)c1 8051218 NWMSPUQLROWGMK-UHFFFAOYSA-N 304.318 1.009 0 40 DDAB C[C@@H]1Oc2c(cccc2C(=O)N2CCc3cncnc3C2)NC1=O 95396044 FMPXWCHNDKYQFL-JTQLQIEISA-N 324.340 1.395 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc[nH]c1=O 3240613 IZGWPOYFIGXIEY-NSHDSACASA-N 312.325 1.510 0 40 DDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC1CC1 3248708 ZIDVPMFKVPRGAJ-UHFFFAOYSA-N 302.355 1.627 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C2 107313059 ATKHRRWQOYOUIK-OXIQGZBJSA-N 314.451 1.688 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108061224 QRPNBXCQDLTLLP-IGQOVBAYSA-N 314.451 1.353 0 40 DDAB CN(CCNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)Cc1ccccc1 108105503 GQKNYHZQSFWYRT-BZUAXINKSA-N 303.406 1.738 0 40 DDAB COC(=O)c1ccc(COC(=O)CNC(=O)c2ccco2)o1 35714044 PBIJNXMDPSXOLJ-UHFFFAOYSA-N 307.258 1.132 0 40 DDAB C[C@@H](CNS(=O)(=O)c1cccc(F)c1)CN1CCCC1=O 58197403 WSKFGEZVONRVKA-NSHDSACASA-N 314.382 1.363 0 40 DDAB CN(C)CCN(C(=O)C1=NN(C)C(=O)CC1)c1ccccc1 58146863 YNSMJLYGCOEKAZ-UHFFFAOYSA-N 302.378 1.189 0 40 DDAB Cn1nnnc1SCCC(=O)N[C@@H]1CCc2ccccc2C1 58210866 IIRWBTFWCOQWCA-CYBMUJFWSA-N 317.418 1.366 0 40 DDAB CN(Cc1ccncc1)S(=O)(=O)c1ccc(C(N)=O)cc1 44906943 GSKMRNHGCACVIT-UHFFFAOYSA-N 305.359 1.001 0 40 DDAB C[C@H]1CCCN(CCNC(=O)NCc2ccc(N(C)C)nc2)C1 44969296 AGHCHECSIBHJMM-AWEZNQCLSA-N 319.453 1.679 0 40 DDAB COc1ccc([C@H](CNC(=O)NCc2cc[nH]n2)N(C)C)cc1 44966337 KIPQXTXBIMNPAX-HNNXBMFYSA-N 317.393 1.520 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1cccnc1-n1cccn1)C(C)C 44913714 UACKTCKWSACJFD-AWEZNQCLSA-N 315.377 1.044 0 40 DDAB CC(C)c1noc(CCC(=O)N[C@@H]2CCN3CCCC[C@H]23)n1 44942016 YGPSCEOWQNCHAJ-CHWSQXEVSA-N 306.410 1.869 0 40 DDAB C[C@@H](NC(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1 44952258 WZEUZORANMBKIX-DGCLKSJQSA-N 301.350 1.956 0 40 DDAB Cc1cccc(OC[C@@H](O)CNC(=O)Nc2cc(C)on2)c1 58342644 UYOIZLGOPKLPSZ-LBPRGKRZSA-N 305.334 1.853 0 40 DDAB COc1c(CNCc2nnc3ccccn23)c(C(C)C)nn1C 58392145 CEXVRJCCGPXOEH-UHFFFAOYSA-N 314.393 1.885 0 40 DDAB CCC1(CC)NC(=O)N(C[C@@H](O)COc2ccc(C)cc2)C1=O 58308101 QLHNQEDBUBTDOZ-CYBMUJFWSA-N 320.389 1.845 0 40 DDAB CCCCn1nnnc1CSc1ncnc2c1cnn2C 58391319 LJDMQINDVWXXMY-UHFFFAOYSA-N 304.383 1.442 0 40 DDAB Cc1cc(C)nc(NC[C@@]2(N3CCOCC3)CCSC2)n1 97286628 FVBVINKWCCNQII-HNNXBMFYSA-N 308.451 1.713 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)c1C 21899344 PNMPCXXGELFIKZ-ZDUSSCGKSA-N 312.435 1.675 0 40 DDAB O=C(CCNC(=O)c1cnccn1)Nc1nc2c(s1)CCC2 72405766 HROZCSXRXVNMDX-UHFFFAOYSA-N 317.374 1.180 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C(C)C 29208672 YLWIPDLJYJVXGQ-HNNXBMFYSA-N 320.393 1.017 0 40 DDAB CC(C)CN(CC(=O)O)S(=O)(=O)c1cc(F)ccc1F 59880916 IJHGWGSKBMIJKF-UHFFFAOYSA-N 307.318 1.696 0 40 DDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCCC1 3591031 SQOMIRWHNPIDSF-UHFFFAOYSA-N 304.177 1.999 0 40 DDAB Cc1csc2nc(CSCCS(C)(=O)=O)cc(=O)n12 48842363 VDTFVWLBWNMRKR-UHFFFAOYSA-N 318.445 1.342 0 40 DDAB COc1cc(Br)cc(C)c1NC(=O)NCCO 49203936 NRMUWOUOGNAVFP-UHFFFAOYSA-N 303.156 1.880 0 40 DDAB Cc1cc(NC(=O)N2CC[C@H](O)C2)nn1-c1ccc(F)cc1 96009335 XVJBVNSQVMJHGQ-ZDUSSCGKSA-N 304.325 1.918 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 9252352 BORRNRRLFYXSCU-UHFFFAOYSA-N 322.386 1.816 0 40 DDAB COc1cccc(C(=O)NCCCNC(=O)c2ccco2)c1 5015336 APRKWWCFKUHNGY-UHFFFAOYSA-N 302.330 1.838 0 40 DDAB CCN(C[C@@H]1CN(Cc2ncc(C)o2)CCO1)c1cccnn1 84774686 DPKTTXTZDPFSNF-AWEZNQCLSA-N 317.393 1.500 0 40 DDAB CCCc1nnc(N2CCN(c3nccc(OC)n3)CC2)s1 95418457 UMEOTXSYHAEVJT-UHFFFAOYSA-N 320.422 1.616 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@H](c1ccco1)N1CCCC1 65440836 RINLSIIWSXOEEZ-CYBMUJFWSA-N 315.439 1.593 0 40 DDAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2nccn2C)c1 65592559 DLHYSWFLVRAMSS-SMDDNHRTSA-N 312.373 1.945 0 40 DDAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@@H]1CCOC1 95431478 AEWJWNOJRZRIBF-GJZGRUSLSA-N 302.418 1.928 0 40 DDAB O=S1(=O)CC[C@H](c2nn3c(-c4ccccc4)nnc3s2)C1 96232168 NHHUSDFRKXXWLO-JTQLQIEISA-N 320.399 1.755 0 40 DDAB CCOc1ccc2nc(SCC(=O)N3CCNC3=O)[nH]c2c1 5667601 MMBYWJQLDMPIMD-UHFFFAOYSA-N 320.374 1.606 0 40 DDAB C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cnn(C)c1 66934517 YXWIFUSMQUHOOR-IUODEOHRSA-N 321.402 1.571 0 40 DDAB CC(C)[C@@H](c1nc(-c2ccncc2)no1)N1CCCS1(=O)=O 96489298 IQYZTNLBWVTMML-LBPRGKRZSA-N 322.390 1.864 0 40 DDAB CSc1nc2ncn(CC(=O)NCC3CCC3)c(=O)c2s1 71888722 PUZVOTLTBSSLCX-UHFFFAOYSA-N 324.431 1.491 0 40 DDAB O=C(c1ccc2[nH]cnc2c1)N1CCCN(c2cccnn2)CC1 71871679 RYAASFCNNQOTIT-UHFFFAOYSA-N 322.372 1.705 0 40 DDAB O=S(=O)(CCN1CCC[C@@H]1Cn1cccn1)C(F)(F)F 71876976 ZNHYAIVHGKHZAO-SNVBAGLBSA-N 311.329 1.282 0 40 DDAB Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](N2CCNC2=O)C1 71841749 JJWGEZPETNTGEM-LLVKDONJSA-N 310.785 1.308 0 40 DDAB CN(CCO)C(=O)Nc1ccccc1CN1CCSCC1 71911824 OIOAZRWBDIJOOT-UHFFFAOYSA-N 309.435 1.691 0 40 DDAB C[C@H](c1ccco1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 69067842 NLACFKVJXQWMGH-GFCCVEGCSA-N 324.402 1.999 0 40 DDAB CCCC(=O)NCC(=O)N1CCC(OC[C@H]2CCCO2)CC1 81849546 AFSIFCOOAZVMDP-CQSZACIVSA-N 312.410 1.089 0 40 DDAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)C1(n2cnnn2)CCCCC1 170613281 OCTYMJPARNVBPD-BFHYXJOUSA-N 301.394 1.661 0 40 DDAB O=C(NCC(F)(F)F)c1ccc(N2C(=O)CCC2=O)cc1 8342181 SNEWWBUBDWUJAJ-UHFFFAOYSA-N 300.236 1.632 0 40 DDAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 96659829 WVVPLTYSYOMSMI-UHFFFAOYSA-N 309.347 1.767 0 40 DDAB COC(=O)CCNC(=O)c1ccc(OCc2ccccc2)nc1 69492631 LSIJFLWZSUHEQP-UHFFFAOYSA-N 314.341 1.954 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 69462702 RLVSRBGFOUIPCT-IYNGYCSASA-N 316.357 1.685 0 40 DDAB O=C(O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1F 20558716 FRKJODRRIYNZGH-UHFFFAOYSA-N 310.306 1.397 0 40 DDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCCCn1cncn1 69565113 SRDPJNYOTHKIPG-CYBMUJFWSA-N 321.425 1.260 0 40 DDAB CCc1nnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)o1 69625224 TWDAOGVPXXZLCF-OAHLLOKOSA-N 316.405 1.483 0 40 DDAB CCN(CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1 69924667 WEXMVUCWUZFCFP-MRXNPFEDSA-N 317.433 1.636 0 40 DDAB CCN(Cc1cnc(N2CCN(C)CC2)nc1)Cc1ccoc1 92935908 LIPAZPVHVCGTNB-UHFFFAOYSA-N 315.421 1.844 0 40 DDAB O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 97109549 OPNHEFAVWGDDMW-CYBMUJFWSA-N 310.423 1.307 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(Cl)o1 72300547 IRTJKQRJFGCGMA-ONGXEEELSA-N 306.815 1.693 0 40 DDAB COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)nn1 95970543 DYEISTUQYGICIL-GFCCVEGCSA-N 315.329 1.159 0 40 DDAB Cc1cc(C)n(-c2ccc(CN3CCn4c(n[nH]c4=O)C3)cc2)n1 95941542 RBBHNSBOUYYJDH-UHFFFAOYSA-N 324.388 1.390 0 40 DDAB Cn1cnc2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cnc21 95997751 MGAQEMLTBSAFPY-UHFFFAOYSA-N 309.285 1.655 0 40 DDAB CN1CCN(CC(=O)N2CCOCC2)c2cc(Cl)ccc21 95963088 SJINJVACKYFMIP-UHFFFAOYSA-N 309.797 1.455 0 40 DDAB CN1CCO[C@H](C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 89382924 XYYJXMHTTWUSFJ-ZFWWWQNUSA-N 324.446 1.586 0 40 DDAB COc1ccccc1/C=C/C(=O)N(C)CCN1CCOC1=O 89346189 AMCZKZQUOKHKGI-BQYQJAHWSA-N 304.346 1.619 0 40 DDAB CN(Cc1cccc(OC(F)F)c1)c1ccc(C(N)=O)nn1 75047360 HTAZSVSZFAUPFP-UHFFFAOYSA-N 308.288 1.813 0 40 DDAB CC(C)(CO)CCCNC(=O)N1CCN(c2ccccn2)CC1 75094232 ZDCAYOPWQQDSHE-UHFFFAOYSA-N 320.437 1.712 0 40 DDAB O=C1NC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)N1 89787950 QCIUPJMRURIWEG-LLVKDONJSA-N 320.349 1.493 0 40 DDAB Nc1c(Cl)cc(S(=O)(=O)N2CC[C@H](O)C2)cc1Cl 89762072 JBBIPUWHELJMTF-LURJTMIESA-N 311.190 1.331 0 40 DDAB Cc1csc(CNC(=O)N(C)Cc2nnc3n2CCC3)n1 89705606 IZDJTKHTGPUCBX-UHFFFAOYSA-N 306.395 1.331 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C12CCC2 89985979 WSBYKRLAJHAPBU-VXGBXAGGSA-N 315.377 1.510 0 40 DDAB C[C@@H]1CN(C)CCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 89938709 MUSXJEAKWUJNOW-GFCCVEGCSA-N 302.353 1.788 0 40 DDAB Cn1c(C(=O)NCc2nc3ccccc3n2C2CC2)cccc1=O 544729897 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O=C(CCN1C(=O)CCC1=O)O[C@H]1CCc2ccccc2C1 78446338 SFFDULAVEXVDOY-AWEZNQCLSA-N 301.342 1.626 0 40 DDAB C[C@@H](Cc1ccccc1Cl)C(=O)NCCc1nc(=O)o[nH]1 565461354 VFILFSSIEGNKOQ-VIFPVBQESA-N 309.753 1.554 0 40 DDAB Cc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCN(C)CC2 71979998 GGBMORQSPCTZJO-AWEZNQCLSA-N 318.373 1.343 0 40 DDAB O=C(CC1CCN(c2cccnn2)CC1)Nc1nncs1 72366483 AXRYIUCZHWAMKE-UHFFFAOYSA-N 304.379 1.573 0 40 DDAB Cc1c(NC(=O)NC[C@@]2(C)OCCc3sccc32)nnn1C 562797960 QFFKBPNWXHTDSG-CQSZACIVSA-N 321.406 1.795 0 40 DDAB O=C(O)[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12 40165666 IUYNKRBKKSUGHN-RNCFNFMXSA-N 308.359 1.070 0 40 DDAB O=C(CN1Cc2ccccc2C1=O)N1CCN2CCCC[C@H]2C1 226097494 OVGIHMCCVYNCSJ-HNNXBMFYSA-N 313.401 1.339 0 40 DDAB COc1cccc(-c2nnsc2C(=O)N2CCOCC2)c1 225767266 LLEHZILZHBCUCY-UHFFFAOYSA-N 305.359 1.686 0 40 DDAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCN1CCOCC1 222961867 FZFZABBXTJTHIS-INIZCTEOSA-N 320.433 1.909 0 40 DDAB CC(C)C1(C(C)C)NC(=O)N(C[C@H]2CCS(=O)(=O)C2)C1=O 333411936 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COCC(=O)N1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2C1 96246155 RWMRCYIQEIDPJB-UONOGXRCSA-N 307.394 1.218 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H]2O[C@@H](C)C[C@H]2C1 96045930 NAQDUYTZTXZRKB-XDTLVQLUSA-N 313.423 1.225 0 40 DDAB CN1CC[C@]2(CN(C[C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201863 GNODWKICYOOTND-HHXXYDBFSA-N 314.429 1.971 0 40 DDAB O=C(c1ncccn1)N1CC[C@]2(C[C@@H](OCC3CCC3)CO2)C1 96218331 LCWOKRIUMPIXKB-PBHICJAKSA-N 317.389 1.667 0 40 DDAB COc1cncc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1 96406660 FAMVYINNJVWJMU-UHFFFAOYSA-N 316.365 1.068 0 40 DDAB O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCCc2[nH]ncc21 96466465 JJGFERNRNCXFHO-BONVTDFDSA-N 303.337 1.819 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1c1nc(C(F)(F)F)cs1 252537070 KFLNGZPLDZTEGU-NKWVEPMBSA-N 310.297 1.929 0 40 DDAB CC(=O)NCc1nccnc1C1CCN(c2cnccn2)CC1 257338450 YXLVWPBEVGFGRB-UHFFFAOYSA-N 312.377 1.287 0 40 DDAB O=C(O)CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CNCC[C@H]21 257247988 JBNSVQWKVQEFCT-RBSFLKMASA-N 302.374 1.455 0 40 DDAB CN1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253480339 WEDLJPOUXKKRCL-CUSZFKRNSA-N 310.482 1.826 0 40 DDAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cncn2C)nc1 257240508 HTUQOKDGKOZLNX-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C(C)C 26491075 SYWQGQALEJAXJQ-OAHLLOKOSA-N 320.393 1.017 0 40 DDAB COCCOc1ncccc1NC(=O)NCCC1(O)CCC1 390835078 CEKVTJPIRVTRTM-UHFFFAOYSA-N 309.366 1.533 0 40 DDAB CC(C)CC(=O)N1CC2(CC[C@H](CNC(=O)CC3CC3)CO2)C1 575405868 KJTMBIJEYZZEJC-OAHLLOKOSA-N 322.449 1.956 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)C3CCC3)CO2)C1 575405985 LPNCCGREEAABGX-VNHYZAJKSA-N 320.433 1.566 0 40 DDAB c1cncc(-c2ccc(N3CCN(c4ccncn4)CC3)nn2)c1 1150776387 IKXYHKNSPJXAKY-UHFFFAOYSA-N 319.372 1.655 0 40 DDAB O=S(=O)(Cc1noc2c1CCCC2)NCCc1cnoc1 907389481 QCKPRQKZKJOHFE-UHFFFAOYSA-N 311.363 1.204 0 40 DDAB CC(=O)N1CCN(C2CCC2)C[C@](O)(COc2ccccc2)C1 585281669 OMSIDMJDRUJJQJ-SFHVURJKSA-N 318.417 1.513 0 40 DDAB COCCn1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OC)cn1 65532938 BIWANILGKWNWGX-GFCCVEGCSA-N 312.370 1.239 0 40 DDAB CC[C@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccccc1 65609950 BCRXENWULZMJMA-HNNXBMFYSA-N 324.446 1.707 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)n(C)n1 1775995050 SDJGHAVJDCMCSO-CYBMUJFWSA-N 315.377 1.450 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCC1 49470374 ORZPAJPHQSXFNW-SNVBAGLBSA-N 316.810 1.629 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCC[S@](=O)c1ccccc1)CC2 75603602 VYBIHHQXXJYXLN-WHEQGISXSA-N 318.446 1.553 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c1 97021222 VUFFACPQYAJMSC-LLVKDONJSA-N 309.395 1.543 0 40 DDAB C[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)C(C)(C)CO1 97376908 KSNLEIYNXUSEJB-AWEZNQCLSA-N 319.453 1.228 0 40 DDAB O=C(Cc1cccc(F)c1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549167446 OGBZSWJYLAZRRC-UHFFFAOYSA-N 318.348 1.523 0 40 DDAB CCOc1ccccc1S(=O)(=O)NC[C@@H](O)CCSC 1775967485 SZOVEPTZIKBWOG-NSHDSACASA-N 319.448 1.478 0 40 DDAB COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCNC[C@@H]1OC 5019451 OMLDMGPCWMBPAN-AAEUAGOBSA-N 313.785 1.038 0 40 DDAB COc1cccc(CNC(=O)COC(=O)c2ccccc2O)c1 5077923 SSZBEWIRCRGGPZ-UHFFFAOYSA-N 315.325 1.874 0 40 DDAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)CCNC(C)=O 11774708 UDZRHABDVNEAFC-JTQLQIEISA-N 324.402 1.805 0 40 DDAB C[C@H]1CCc2nn(CCNC(=O)c3cccs3)c(=O)cc2C1 12232617 WQDIWQUPLWKTSN-NSHDSACASA-N 317.414 1.860 0 40 DDAB COCC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 19592969 FJPJMGWRGSKRCS-SUMWQHHRSA-N 320.364 1.437 0 40 DDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ncc[nH]1 1848352032 FXINPOIRUGDNNK-OAHLLOKOSA-N 314.389 1.824 0 40 DDAB CCc1cnc(N2CCN(c3ccc4nc(C)cn4n3)CC2)nc1 1888881983 HSUVEHMAWGLJBL-UHFFFAOYSA-N 323.404 1.717 0 40 DDAB O=C(c1csnn1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 1565552522 YLUMGJOZJHYZDM-FPMFFAJLSA-N 323.418 1.584 0 40 DDAB CCO[C@@H]1CO[C@]2(CCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1565545204 BKNQHINKHHOJTP-DOTOQJQBSA-N 322.380 1.950 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 1565546812 DWCDCPYCAOAFTP-MJBXVCDLSA-N 324.396 1.411 0 40 DDAB CCOc1nn(CC)cc1-c1nnc(SCC(N)=O)n1CC 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O=C(CNC(=O)c1ccco1)Nc1cccc(-c2nnco2)c1 40529412 MJEIKNWDAVQRFU-UHFFFAOYSA-N 312.285 1.698 0 40 DDAB CCc1nnsc1C(=O)NC[C@](C)(CC)N1CCOCC1 31925159 NOGOIHIWUWTJRD-AWEZNQCLSA-N 312.439 1.331 0 40 DDAB O=S(=O)(NCCN1CC=CC1)c1cccc2ccccc12 101510296 PWKRVIUWTLFBHG-UHFFFAOYSA-N 302.399 1.990 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](C(N)=O)C1 41129536 NAZQFGDFOFECPV-ZDUSSCGKSA-N 306.410 1.032 0 40 DDAB CCN1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 41283028 WMHMCCSAQOCTJU-UHFFFAOYSA-N 302.378 1.883 0 40 DDAB CC(C)(C)CC(=O)NCC(=O)NCCC(=O)Nc1ccccn1 53809007 TXDVELJPNLRMNC-UHFFFAOYSA-N 320.393 1.079 0 40 DDAB Cc1cc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 53402438 ISAPQBDLEGNVCU-QGZVFWFLSA-N 301.390 1.834 0 40 DDAB CCn1c(=O)[nH]c2cc(C(=O)NCCC(C)C)ccc2c1=O 542913 UOYQHWCJCRLXNZ-UHFFFAOYSA-N 303.362 1.486 0 40 DDAB COc1ccc(CN2CCN(C(=O)c3cnsn3)CC2)cc1 47610878 QHZKNDOPISOPQS-UHFFFAOYSA-N 318.402 1.505 0 40 DDAB COC(=O)C1CCN(C(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 1067213 HHZUSMYIDIAMKH-SJORKVTESA-N 323.389 1.520 0 40 DDAB C[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)[C@H](c2ccccc2)CO1 78950607 GHXPOIJYGVKNKD-CJNGLKHVSA-N 324.384 1.985 0 40 DDAB CCCOC[C@H](O)COc1ccccc1C(=O)N1CCOCC1 2268475 YMNRDJGPSTXZPY-AWEZNQCLSA-N 323.389 1.325 0 40 DDAB O=c1c2ccccc2cnn1C[C@@H](O)COCc1ccco1 42755933 FNOOPHSJUPWHJG-CYBMUJFWSA-N 300.314 1.567 0 40 DDAB CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)CCO)cc1 3151867 LUTMOSWXQHQGSH-OAHLLOKOSA-N 311.422 1.010 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106024293 GQDQFIGJBXYGIH-SRVKXCTJSA-N 310.394 1.980 0 40 DDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 4992860 FGAMAXINEFBBKV-SNVBAGLBSA-N 319.748 1.212 0 40 DDAB COc1cccc([C@H](O)CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1 107140972 FCHLNLJUWOAPJO-CABCVRRESA-N 318.377 1.229 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccsc2)cc1 8327497 IALZKCUSFFOSPR-UHFFFAOYSA-N 324.427 1.645 0 40 DDAB CC(=O)c1cc(C(=O)N[C@@]2(CO)CCc3ccccc32)n(C)c1 89291883 RYGYUYMJYPIRFQ-GOSISDBHSA-N 312.369 1.792 0 40 DDAB CCC[C@@](C)(NS(=O)(=O)c1ccccc1OC)C(=O)OC 35248704 FQHFPNRDIOUCMN-CQSZACIVSA-N 315.391 1.705 0 40 DDAB CN(CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CCCC1 89346241 DOFUYQPDOHYCEC-HNNXBMFYSA-N 321.465 1.626 0 40 DDAB O=C(N[C@@H]1CCN(C2CC2)C1)c1ccn(-c2cccc(F)c2)n1 57554931 ZNAFGOJVXHMHMX-CYBMUJFWSA-N 314.364 1.978 0 40 DDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-n2cccn2)cc1 27492299 GARNGPXIYAWYDT-CQSZACIVSA-N 312.329 1.673 0 40 DDAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CCCO1 48170867 MOXXABMUJPWOGM-AAEUAGOBSA-N 306.362 1.825 0 40 DDAB CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H]1c1ccncc1 48196339 AVSMERZRHNKGMQ-AWEZNQCLSA-N 310.419 1.816 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)CCC(=O)N2CCOCC2)no1 44710403 HRTFJAFNEDXIQP-AWEZNQCLSA-N 321.377 1.286 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1ccnc(-n2ccnc2)c1 48209961 RIUNFEIHKLIYOP-UHFFFAOYSA-N 322.324 1.926 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccnc2)cc1 27577780 GGFXLSDPBKATJL-UHFFFAOYSA-N 305.359 1.300 0 40 DDAB COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)OC[C@@H]2C)cc1 27646463 ZBKPBPKMZOALDP-GZBFAFLISA-N 323.389 1.322 0 40 DDAB CCc1ccccc1OCC(=O)N(C)CC(=O)NCCCOC 58280785 HPKWBZPLQRASEH-UHFFFAOYSA-N 322.405 1.239 0 40 DDAB COc1ncccc1CNC(=O)NC[C@H](c1ccco1)N(C)C 44949259 GFWLKNOMZALLFR-CYBMUJFWSA-N 318.377 1.785 0 40 DDAB CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 95415756 RSCGGADUBIPNRE-KBPBESRZSA-N 308.426 1.764 0 40 DDAB CCCn1nc(C(=O)N(CCOC)C2CCCC2)ccc1=O 45512293 BVJRYZSMSPQJMH-UHFFFAOYSA-N 307.394 1.685 0 40 DDAB O=C1C[C@H](n2nnn(-c3ccccc3)c2=S)[C@H]2CO[C@H]1O2 102988928 CIFNYXJRKAYSPW-WCQGTBRESA-N 304.331 1.054 0 40 DDAB biogenic CCn1nc(C(=O)NC(C)(C)C(=O)OC)c2ccccc2c1=O 45951296 ZOQLOXVDEGQFKA-UHFFFAOYSA-N 317.345 1.098 0 40 DDAB CCOC(=O)N1CCN(c2nc(CCC(C)C)cc(=O)[nH]2)CC1 22449003 IKEAULKCDKHWGG-UHFFFAOYSA-N 322.409 1.637 0 40 DDAB Cc1ccnc2nc(C(=O)N3CCO[C@H]4CCCC[C@H]43)nn12 46492636 RYJITNJCVYPCMK-NEPJUHHUSA-N 301.350 1.216 0 40 DDAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]cn3)[nH]n2)cc1 12323827 QAIDOHVTSCNKCI-UHFFFAOYSA-N 311.345 1.781 0 40 DDAB C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc2c(c1)OCO2 3513144 ZVWHTWMACAUAIY-SSDOTTSWSA-N 307.335 1.058 0 40 DDAB NC(=O)CCCOC(=O)[C@@H]1CCCCN1Cc1ccccc1 95461530 OZNUCRPZBGTOCH-HNNXBMFYSA-N 304.390 1.850 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 13260587 PHZQWUKQCDXCPT-LLVKDONJSA-N 311.359 1.027 0 40 DDAB CCc1c(C(=O)CN(C)S(C)(=O)=O)[nH]c(C)c1C(C)=O 112970168 KIQNDZROYSLBCR-UHFFFAOYSA-N 300.380 1.162 0 40 DDAB CC1=NN(C(=O)CSc2nc3ccccc3[nH]2)[C@](C)(O)C1 4354354 AHYIDEPFFZYWCA-CQSZACIVSA-N 304.375 1.972 0 40 DDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 14136478 APYATNMBCBMLLN-MRXNPFEDSA-N 319.361 1.496 0 40 DDAB CC[C@@H](C)[C@@H](C(=O)OCc1nc(N)nc(N)n1)c1ccccc1 7185513 GPGKJFZQFREGHL-ZWNOBZJWSA-N 315.377 1.909 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](N2CCNC2=O)C1 71830388 NZTLHXNARZFOPA-GFCCVEGCSA-N 320.393 1.736 0 40 DDAB Cc1noc([C@@H](C)N2CCN(c3ncnc4[nH]ccc34)CC2)n1 69376855 DVAIRYGWYQQHKM-SNVBAGLBSA-N 313.365 1.533 0 40 DDAB S=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19973457 NMABYTXIRVVZOL-INIZCTEOSA-N 319.474 1.858 0 40 DDAB CS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 69492451 QSRDWMKWYLAGSC-UHFFFAOYSA-N 322.289 1.174 0 40 DDAB CCCc1noc([C@H](C)N2CCN(Cc3nccn3C)CC2)n1 69521545 FAJZVRRXBPHHHN-ZDUSSCGKSA-N 318.425 1.634 0 40 DDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(CCn2cccn2)C1 83836870 HXGQWZOTWCAGEX-OAHLLOKOSA-N 317.441 1.009 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)NCC[C@@H](C)O)CC1=O 83827735 OKJZGOFYBCECBG-TZMCWYRMSA-N 304.390 1.489 0 40 DDAB C[C@@H]1CN(Cc2ccc(OC(F)F)c(F)c2)C[C@@H](C(N)=O)O1 92005666 ZUMSQLZQLINCAK-PELKAZGASA-N 318.295 1.502 0 40 DDAB C[C@@H](CC(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1)n1cccc1 69819047 MNBZBOISBPLOJX-HOTGVXAUSA-N 321.465 1.990 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN(CCN3CCCC3=O)C2)n1 69846387 XCSGORKNFJOPIH-HNNXBMFYSA-N 305.426 1.229 0 40 DDAB O=C(O)[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(Cl)c2F)C1 92181467 IRIDDDONDIFMKH-YUMQZZPRSA-N 319.741 1.787 0 40 DDAB Cc1cccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1C 8844432 GKSWUPOIMIOGFA-NSHDSACASA-N 303.405 1.232 0 40 DDAB COC(=O)CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)OC 8990614 AJORHFLNWDITDB-WCQYABFASA-N 322.361 1.542 0 40 DDAB COc1ccccc1CNC(=O)c1cnc2ccc(C)cn2c1=O 9830052 UCLDXBFHQMIAIO-UHFFFAOYSA-N 323.352 1.942 0 40 DDAB O=C(Nc1cnn(-c2ncccn2)c1)N[C@@H]1CCc2[nH]ncc2C1 95975259 CWLGQDFTCCRMDL-LLVKDONJSA-N 324.348 1.064 0 40 DDAB COc1ccc([C@@H](NC(=O)[C@H]2CCC(=O)N2)C(F)(F)F)cc1 97080016 FOPSWMVDHQZVIY-ZYHUDNBSSA-N 316.279 1.693 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](c2ccn[nH]2)C1 72282821 LQJQWBQUZSGOTH-LRDDRELGSA-N 313.357 1.956 0 40 DDAB CCc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C)no2)no1 72279323 BNKQQUUGBUDSID-JTQLQIEISA-N 305.338 1.704 0 40 DDAB O=C([C@H]1CCCO1)N1CCC(C(=O)O)(c2ccccc2)CC1 72274555 XNYWARWBFLXSHB-CQSZACIVSA-N 303.358 1.810 0 40 DDAB CCN(C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 97141711 DBOHMMZXNYBOED-ZDUSSCGKSA-N 310.442 1.121 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(N2CCCC2=O)cc1 97197949 JYQLRARJCYVLAW-AWEZNQCLSA-N 324.384 1.755 0 40 DDAB O=C(c1cccc(O)c1)N1CCN(c2cccc(F)n2)CC1 72302094 UDBRBLIUSOQVSG-UHFFFAOYSA-N 301.321 1.889 0 40 DDAB COc1ccccc1COC[C@@H](O)CN1CCn2ccnc2C1 97201097 KZHYXONKTIKSAS-HNNXBMFYSA-N 317.389 1.285 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F 89496787 FDIIAGIXSXZKOB-ZETCQYMHSA-N 309.272 1.646 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 89544426 VLCMSHRJRLOTIR-ZDUSSCGKSA-N 304.394 1.629 0 40 DDAB C[C@@H](NC(=O)N1CCC(c2cncn2C)CC1)c1ccn(C)n1 1548454001 RUWDRXXDYPKRFY-GFCCVEGCSA-N 316.409 1.804 0 40 DDAB Cc1c(F)cccc1-n1nnc(C(=O)NCCN(C)C)c1C 67264080 NPNXUGDTBWOYRE-UHFFFAOYSA-N 305.357 1.315 0 40 DDAB Cc1nnc(SCC(=O)NC2CCCC2)n1C[C@H]1CCCO1 35311873 XFGMRHXZBKPMBV-CYBMUJFWSA-N 324.450 1.916 0 40 DDAB NS(=O)(=O)CCCNc1ncc(C(F)(F)F)cc1Cl 44350678 CCQAUWJBZUBZFH-UHFFFAOYSA-N 317.720 1.844 0 40 DDAB CO[C@@]1(C)C[C@H](NC(=O)CNC(=O)c2ccccc2)C1(C)C 73274194 ZCUSDDJVHZLCLI-GUYCJALGSA-N 304.390 1.736 0 40 DDAB Cc1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c(C)n1 73118849 GQHLOFXLWJRSET-LBPRGKRZSA-N 318.446 1.948 0 40 DDAB CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cnn(C)c2)c1 79002085 IQJQFWWHFGYZCG-UHFFFAOYSA-N 321.402 1.996 0 40 DDAB CCn1nccc1C1CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1 566540085 FBSYEEKYJWISJX-XMHCIUCPSA-N 324.450 1.313 0 40 DDAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1C2CCC1CC2 524487198 SRSVVCQMCMQKCA-VOMCLLRMSA-N 312.373 1.835 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCC1(F)F 567434689 CSTIHASRQYREBI-JTQLQIEISA-N 307.304 1.780 0 40 DDAB CC(C)NC(=O)CCNC(=O)c1cn(-c2ccc(F)cc2)cn1 226848983 MHTNDIWVFNAIRE-UHFFFAOYSA-N 318.352 1.656 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCN[C@H]([C@H]3CCCO3)C2)Cc2c[nH]nc21 1576763344 QNYKAZRPQZUFTK-RJZRQDKASA-N 318.421 1.403 0 40 DDAB O=C(NCc1cnn2ccccc12)c1cccc(-n2cnnn2)c1 75162646 FQOXBHGMJHMXOR-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB COc1ccccc1-n1cnnc1[S@@](=O)C[C@H]1CCCCO1 86308710 SAWDAIODNVAOCY-VERVWZFWSA-N 321.402 1.953 0 40 DDAB CCS(=O)(=O)c1ccccc1N1CCO[C@@H](CN(C)C)C1 195576178 LAPCODVXGMYCOC-ZDUSSCGKSA-N 312.435 1.247 0 40 DDAB O=C(C[C@H]1COCCN1C[C@H](O)C(F)(F)F)c1ccccc1 134179181 CZRXPEKTAIDJOB-JSGCOSHPSA-N 317.307 1.883 0 40 DDAB C[C@@H]1OCC[C@@H]1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1 195550907 ZQMFOMBJXWCQBW-BPUTZDHNSA-N 304.390 1.817 0 40 DDAB O=C(COc1ccc2ccccc2c1)N1CC(n2ccnn2)C1 225692502 REQUSNWHPFERRJ-UHFFFAOYSA-N 308.341 1.894 0 40 DDAB COc1cccc([C@H](C)N[C@H](C)C(=O)N2CCC[C@@H]2CO)c1 195579335 SQYHNWPUNBXUIC-GZBFAFLISA-N 306.406 1.718 0 40 DDAB c1ccc(N2CCC3(CC2)CN(c2ncccn2)CCO3)nc1 96159027 WMPGGEIFAKCROO-UHFFFAOYSA-N 311.389 1.747 0 40 DDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)CC3CC3)C2)no1 96206849 DNIJZDZWXPEVMC-PBHICJAKSA-N 319.405 1.348 0 40 DDAB CO[C@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cnn(C)c1 96200599 ZJFKQRSLZWWCMH-KBPBESRZSA-N 305.403 1.954 0 40 DDAB CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 96091338 STPUFXFNMFZAMG-STQMWFEESA-N 310.419 1.552 0 40 DDAB CCS(=O)(=O)N(C)C1CCN(CCN2CCCCC2)CC1 96419574 RUWQRKHILWTLDC-UHFFFAOYSA-N 317.499 1.218 0 40 DDAB Cn1cc([C@@H]2CN(C(=O)CCCn3cccc3)CCO2)cn1 97102770 FFDCIDJFSPMEOZ-HNNXBMFYSA-N 302.378 1.602 0 40 DDAB O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21 96040763 VHOGPBVDXMTPID-YUELXQCFSA-N 316.405 1.552 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N[C@H]2COc3ccccc32)c1C 96427839 FZVXSNTXGPBKEA-ZDUSSCGKSA-N 321.402 1.932 0 40 DDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C[C@H]3CCOC3)CC2)N1 96069782 WQPNEPXQYKCQQY-ZBFHGGJFSA-N 315.417 1.556 0 40 DDAB COc1ccc(CN2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cc1 96055810 JKQHFHBMNIDGAK-CABCVRRESA-N 310.419 1.303 0 40 DDAB CN(C)CCN1CCN(C[C@H]2CCOC2)Cc2cccnc21 247991467 LONKUNSQFKOFCE-OAHLLOKOSA-N 304.438 1.302 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)Cn1cccn1 257296130 RBKALMRLPADSCU-CQSZACIVSA-N 300.362 1.065 0 40 DDAB O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1 257308270 TWCWBRVUMRZVDD-BZUAXINKSA-N 324.446 1.343 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]21 257335473 YKHFEHVXQFQGMC-HZSPNIEDSA-N 324.388 1.254 0 40 DDAB Cc1cc(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)no1 257221399 DOXFMNJMKNGBAY-HUUCEWRRSA-N 318.329 1.305 0 40 DDAB c1ncc(O[C@H]2C[C@@H]3CN(Cc4ccsc4)CCN3C2)cn1 253588475 FAEGGLWVNGHJFD-CABCVRRESA-N 316.430 1.876 0 40 DDAB CN(CCN1CCN(c2cnccn2)CC1)Cc1ccccc1 264057021 CTWRCFIXLILDLK-UHFFFAOYSA-N 311.433 1.731 0 40 DDAB O=C([C@@H]1CCc2[nH]ncc2C1)N1CCN(c2ccccc2)CC1 270161103 YRBBOZKKKYGXHX-CQSZACIVSA-N 310.401 1.863 0 40 DDAB C[C@@H](O)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112558 RHVHOMMBUAXFCE-DOMZBBRYSA-N 315.373 1.042 0 40 DDAB CCOc1ncccc1C(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585290083 ZSPCLXWIRCQLEH-INIZCTEOSA-N 304.346 1.445 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)CCCN2CCCC2=O)CC1 69951338 LPEGQQDQWUMKRH-OAHLLOKOSA-N 311.470 1.024 0 40 DDAB COCCS(=O)(=O)NCCNc1ccc2ccccc2n1 69951855 BITXQQFEZGKIBA-UHFFFAOYSA-N 309.391 1.213 0 40 DDAB CCCCN(C)S(=O)(=O)N[C@H]1CCCc2c1cnn2C 46811495 RIJWQRJSDOMXLV-LBPRGKRZSA-N 300.428 1.364 0 40 DDAB O=C(Cc1noc2ccccc12)NC[C@@H]1CN2CCC[C@@H]2CO1 58162721 PVHGWRWUEZIESC-CHWSQXEVSA-N 315.373 1.350 0 40 DDAB CC(C)C[C@H]1CCCCCN1C(=O)c1nc(O)[nH]c(=O)c1N 73922640 ITGSSHCSWPDBGT-SNVBAGLBSA-N 308.382 1.489 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)C2CC2)cc1Cl 77108412 RBMSKZOAROVMHZ-ZDUSSCGKSA-N 310.781 1.864 0 40 DDAB CC(C)c1ccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1 56668536 JSJXHBZMHSHHPC-UHFFFAOYSA-N 315.417 1.839 0 40 DDAB C[C@@H](C(=O)N(Cc1ccccc1)CC(C)(C)O)n1cncn1 96493086 GBFJZQCMRYHKBQ-ZDUSSCGKSA-N 302.378 1.639 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)CCCC2 5307331 VUUHRUZGYVHJGV-UHFFFAOYSA-N 308.359 1.336 0 40 DDAB Cc1cc(N2CCOCC2)nc(SC(=O)c2ccccn2)n1 5926381 GGVHBOBVMVFWHV-UHFFFAOYSA-N 316.386 1.949 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(C)CC1 16842611 NRJCRFWBYCJSLW-UHFFFAOYSA-N 301.368 1.007 0 40 DDAB NS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1 18826018 FTRPJXDOLJQKFM-UHFFFAOYSA-N 322.361 1.446 0 40 DDAB Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 19129167 HEGGMZDENSRUTJ-KBPBESRZSA-N 315.421 1.836 0 40 DDAB CCn1cncc1C(=O)N1CCCC[C@H]1CCNC(=O)COC 19745856 ULWWUZVLOUDQFD-ZDUSSCGKSA-N 322.409 1.050 0 40 DDAB CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(C)C(C)C 163507063 KDYXOQQKVYZABL-UHFFFAOYSA-N 315.377 1.770 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Oc2cccnn2)C1 225409728 LDKGMHNYLRLLRQ-CYBMUJFWSA-N 316.361 1.694 0 40 DDAB CC(C)N(CCO)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 5194518 CQYAXBLEWYSZQL-CYBMUJFWSA-N 323.368 1.343 0 40 DDAB CCOCCSc1c(CC)cnc2c1c(=O)n(C)c(=O)n2C 10216566 MZZCZTIKERLYLJ-UHFFFAOYSA-N 323.418 1.323 0 40 DDAB Cc1cccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)c1C 22584952 BGNNUDZFQQLPNS-OAHLLOKOSA-N 319.405 1.333 0 40 DDAB c1ccc(N2C[C@@H]3CN(Cc4nnc5n4CCC5)C[C@@H]3C2)cc1 1888853338 GZSPVFIXPJNZKG-GASCZTMLSA-N 309.417 1.793 0 40 DDAB Cc1cc(N2CCO[C@H](C(=O)NC3CC3)C2)nc(C2CC2)n1 1889070777 JDGNZJRCZFOYIZ-ZDUSSCGKSA-N 302.378 1.146 0 40 DDAB Cc1nccc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037981020 QRJWMDJFOLRCNP-QGZVFWFLSA-N 318.421 1.244 0 40 DDAB CN1Cc2c(ncn2CCCNC(=O)OC(C)(C)C)N(C)C1=O 953095533 YEYWXLVVNNTEEG-UHFFFAOYSA-N 323.397 1.800 0 40 DDAB Cc1nc(C(=O)N2C[C@H]3[C@H](N4CCCC4)COC[C@H]3C2)cs1 1565548639 HABBLZFNQRSLED-UMVBOHGHSA-N 321.446 1.634 0 40 DDAB O=c1cc(Cc2n[nH]c(=S)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 5903941 NTYKVBNFKZBTSL-UHFFFAOYSA-N 319.321 1.036 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCO2 10255864 PFDKHBSJFALDIP-AWEZNQCLSA-N 324.336 1.733 0 40 DDAB COc1ccc(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 12227474 IQYISBQCQUWKTJ-UHFFFAOYSA-N 312.329 1.384 0 40 DDAB CN1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1 22999024 KKANPHHGZYOKNH-UHFFFAOYSA-N 307.438 1.451 0 40 DDAB CC(C)c1c(C(=O)N2CCOCC2)cnn1-c1ccccn1 40513496 XUHRXLWEANUSQH-UHFFFAOYSA-N 300.362 1.863 0 40 DDAB O=C(CCN1C(=O)COc2ccccc21)N1CCSCC1 40542058 ZZDJMYJMWAYTFA-UHFFFAOYSA-N 306.387 1.378 0 40 DDAB Cc1cc(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)nn1C(C)(C)C 51450084 WYZFAFHXTFTKDO-KBPBESRZSA-N 322.453 1.786 0 40 DDAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2N1CCOCC1 32603872 SZAQTVXFPGVFML-AWEZNQCLSA-N 319.405 1.361 0 40 DDAB C[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)N1C[C@@H](C)O[C@H](C)C1 32816894 RMRAZWAERSQFOP-YNEHKIRRSA-N 317.389 1.188 0 40 DDAB Cc1cccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 32916056 NRBBXCJBJFGZHH-ZDUSSCGKSA-N 310.419 1.396 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 41460870 PIEYXGVDCCIVHD-UHFFFAOYSA-N 300.318 1.041 0 40 DDAB CC(C)Cc1noc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1 22532831 UAQYRGBFRKRBFJ-AWEZNQCLSA-N 314.389 1.680 0 40 DDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H](C(=O)O)C1 37436572 PARGZCYEIOTURK-BRAIEQGRSA-N 311.769 1.718 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCSCC1 61721232 FPTOAKFUXCSBCQ-UHFFFAOYSA-N 307.419 1.088 0 40 DDAB O=C(CNc1ccc(OC2CCCC2)cc1)N1CCNC1=O 12527006 OJYXUJUNOSAZEU-UHFFFAOYSA-N 303.362 1.972 0 40 DDAB Cc1noc([C@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)n2)n1 78092263 WJOOVHRZBYNVAW-QMMMGPOBSA-N 316.296 1.589 0 40 DDAB COc1cccc(-c2ccc(CNC(=O)c3n[nH]c(=O)[nH]3)cc2)c1 78947230 UKAAJSNKAGRHDE-UHFFFAOYSA-N 324.340 1.704 0 40 DDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCC[C@H]2c2ccccc2)N1 42659848 XJAOFNKUZNDTOW-OLZOCXBDSA-N 301.346 1.338 0 40 DDAB CSc1ncc(C(=O)N2CCNC(=O)C2)n1-c1ccccc1 24579608 CTERNWJJIHCXRX-UHFFFAOYSA-N 316.386 1.166 0 40 DDAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 4999878 QDQAAOIYLUIXQO-LLVKDONJSA-N 303.362 1.098 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 7609006 MFUQGSDYOJRNSV-UHFFFAOYSA-N 314.382 1.553 0 40 DDAB C[C@H](NC(=O)COC(=O)c1ccc[nH]c1=O)c1ccccc1 3232795 WVZUGSIYKAMMPI-NSHDSACASA-N 300.314 1.409 0 40 DDAB C[C@@H](c1ccn(S(=O)(=O)c2ccccc2)n1)n1cncn1 1393489 IGEMDPJCIKVTIE-NSHDSACASA-N 303.347 1.321 0 40 DDAB CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cccs1 8476584 ZUWXBACVLJDDJX-LBPRGKRZSA-N 320.374 1.818 0 40 DDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cc(C)on2)c1 48290988 AHTLORRDAFASBQ-GFCCVEGCSA-N 321.333 1.855 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CSC(C)(C)N1C=O 1786721 ILYOTNJRUHYBJK-GHMZBOCLSA-N 316.423 1.000 0 40 DDAB biogenic Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c(O)c1 57986805 FERROGLGJXXGRS-UHFFFAOYSA-N 314.345 1.428 0 40 DDAB CN1CCN(C2CCN(Cc3nnc(C4CC4)n3C)CC2)C1=O 95364966 GISKAIYGRYIMQV-UHFFFAOYSA-N 318.425 1.024 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N(C)C 36078210 QLGUDGLJLZTAQH-CQSZACIVSA-N 323.418 1.873 0 40 DDAB CS(=O)(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 44871218 XOHFRGXNZATWEW-ZDUSSCGKSA-N 311.403 1.639 0 40 DDAB O=C(O)CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 95348420 NTMJQKKPMRDCGJ-UHFFFAOYSA-N 302.286 1.736 0 40 DDAB CCCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230381 OYCAIGDDIUXPJS-UHFFFAOYSA-N 314.407 1.378 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(-c2ccco2)[nH]n1 44955726 OUIPDAZRNUWLGP-LLVKDONJSA-N 304.350 1.560 0 40 DDAB COc1ccc(Cl)cc1CNC(=O)Cn1cccnc1=O 44953746 IEPUKPBHIZBRMT-UHFFFAOYSA-N 307.737 1.222 0 40 DDAB COc1ccc(CNC(=O)NCCc2csc(C)n2)cn1 44953083 JFLLVNJYPUHSTI-UHFFFAOYSA-N 306.391 1.897 0 40 DDAB O=C1COc2cc(C(=O)N[C@H]3CCN4CCCC[C@H]34)ccc2N1 44941785 ABTZASFDIPRJQY-GXTWGEPZSA-N 315.373 1.374 0 40 DDAB CC(C)c1cc(C(=O)N2CCN(Cc3ccccn3)CC2)n[nH]1 44972416 DSBVPJFMNZNCDZ-UHFFFAOYSA-N 313.405 1.886 0 40 DDAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)[C@@H]1CCCO1 27869886 TYRCVKPTFMAEEJ-ONGXEEELSA-N 307.375 1.142 0 40 DDAB O=c1c(NCc2ccccn2)c(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1=O 101694020 IDSNWUZMVJJZDI-AGIUHOORSA-N 309.369 1.914 0 40 DDAB O=C(CN1CCOC1=O)N1CCC[C@@H](OCc2ccccc2)C1 20910406 ATIFFZZQFGFJOQ-OAHLLOKOSA-N 318.373 1.646 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)Cc3ccccn3)C[C@@H]2C1 107254055 JGRPVZOBKIUEQC-QKDCVEJESA-N 315.417 1.633 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cnccn1 11007061 XSSGAULMUGXGMU-NSHDSACASA-N 303.343 1.125 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 11454667 RADAHPHIORPJFX-VIFPVBQESA-N 319.329 1.544 0 40 DDAB CCCn1nc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1=O 11781916 MHFRDRFOPFCFBM-UHFFFAOYSA-N 315.329 1.692 0 40 DDAB COc1cc2nc(CN3CCO[C@@H](C)C3)[nH]c(=O)c2cc1OC 29684118 FTENTJTVQBUIRO-JTQLQIEISA-N 319.361 1.161 0 40 DDAB COc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)cc1OC 28261814 OASCODJHXUHGEQ-NSHDSACASA-N 306.362 1.581 0 40 DDAB COc1ncc(Cl)c(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)n1 95970982 YBCIZZXURUCSPL-VHSXEESVSA-N 310.785 1.443 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 60555042 QHFFNWNAKHZLNP-CHWSQXEVSA-N 306.454 1.816 0 40 DDAB CC(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)n(C)c1 95435384 JEVXMENNSRSPSF-CQSZACIVSA-N 312.373 1.631 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC=CCC1 12224241 BLPSKPIBUFBDIY-OAHLLOKOSA-N 301.390 1.891 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2cccc(C)c2)NC(=O)NC1 12982971 GOUAGWVAYNWYFJ-UHFFFAOYSA-N 318.329 1.282 0 40 DDAB c1cn(-c2cc(N[C@H]3CCO[C@]4(CCOC4)C3)ncn2)cn1 95458035 QFSOJHGCZZDYHQ-SWLSCSKDSA-N 301.350 1.412 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 13947864 AJIWDIPXKKTQKK-UHFFFAOYSA-N 305.403 1.784 0 40 DDAB CC(C)c1nnc(SCC(=O)NC2CC2)n1C[C@H]1CCCO1 13995079 NJFKKBZYJPKVAF-GFCCVEGCSA-N 324.450 1.951 0 40 DDAB COc1cccc(-n2nnc(C(=O)NC(C)(C)C(=O)O)c2C)c1 65423744 ROUOVKHOLFDOSM-UHFFFAOYSA-N 318.333 1.177 0 40 DDAB NC1=c2c(cc(=O)n3c2nc2ccccc23)CN1Cc1ccco1 6316012 JRUFGTMIWZTOIP-UHFFFAOYSA-N 318.336 1.200 0 40 DDAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC1CC1 5353121 BMRSOHKXHRVUME-JTQLQIEISA-N 303.391 1.730 0 40 DDAB CCN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 4504508 OBQIUEJNSLPSOJ-NSHDSACASA-N 311.359 1.065 0 40 DDAB Clc1ccc(-c2nnn(CCCCc3nnn[nH]3)n2)cc1 6662452 YCUQBPQONUYAIH-UHFFFAOYSA-N 304.745 1.530 0 40 DDAB NC(=O)c1cccc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1 83407835 QXWXGDXOMZSLJK-KRWDZBQOSA-N 318.417 1.946 0 40 DDAB COC[C@@H](NC(=O)[C@H]1CCc2[nH]ncc2C1)c1ccc(C)o1 95441304 UNYQKPSSLMYLNI-SMDDNHRTSA-N 303.362 1.920 0 40 DDAB CC(C)c1ccccc1OC[C@@H](O)CN1CCC[C@H](C(N)=O)C1 6834798 GVNVYCIATKRBNB-GJZGRUSLSA-N 320.433 1.747 0 40 DDAB CCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)n[nH]c1=O 6888283 XMKKRMBJHFKOEQ-QWRGUYRKSA-N 312.439 1.768 0 40 DDAB Cc1cccc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1C 5868400 ZSHPERAYLHDERB-UHFFFAOYSA-N 314.389 1.218 0 40 DDAB Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1 4985684 OUJSMSFLPHKLQT-UHFFFAOYSA-N 311.385 1.869 0 40 DDAB CCOc1c(Cl)cc(CNCCNC[C@H](C)O)cc1OC 22076003 BPQYFNRCANREJB-NSHDSACASA-N 316.829 1.807 0 40 DDAB COC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccccc2)C1 67297774 DDCNXRQOEHNNHS-LSDHHAIUSA-N 317.389 1.930 0 40 DDAB Cc1cccc2nc(C(=O)OCC(=O)NCC(F)(F)F)cn12 5982987 KGSRWGVJCBFYMS-UHFFFAOYSA-N 315.251 1.478 0 40 DDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1ccccc1 7000676 OYGCLAAKJTXXFR-SNVBAGLBSA-N 324.388 1.743 0 40 DDAB COc1ccc(CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 7116257 ZAVKFIILIAHWJX-CYBMUJFWSA-N 323.414 1.621 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1nc(C)c(C)s1 96439688 YLVWAILLPWSFRX-WPRPVWTQSA-N 312.439 1.862 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)NCc1ccccn1 8073243 DCMLRHFPBGIGEA-UHFFFAOYSA-N 311.341 1.514 0 40 DDAB Cc1sc2nc(COC(=O)c3cnccn3)[nH]c(=O)c2c1C 8458412 ZJKDSIZTLYCVOA-UHFFFAOYSA-N 316.342 1.748 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ncccc1O 69517503 LYAZSWQBDMGSCX-UHFFFAOYSA-N 300.314 1.831 0 40 DDAB CNC(=O)COC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 69656640 ULNYVRVOALPEBV-CQSZACIVSA-N 318.417 1.619 0 40 DDAB CN(C)c1ccc(CCNC(=O)N2CCC(CO)CC2)cc1 69619960 AAQHJCGAVFYFRR-UHFFFAOYSA-N 305.422 1.709 0 40 DDAB CSc1ncccc1C(=O)NCC(=O)NCc1ccco1 8771603 YDNUXXLUPBIPPD-UHFFFAOYSA-N 305.359 1.443 0 40 DDAB CCNC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 8724589 UAOZCCHYXWDSEA-RYUDHWBXSA-N 307.394 1.527 0 40 DDAB CC(C)(C)OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 8890237 KANHSQPZKXQHHF-KRWDZBQOSA-N 316.357 1.722 0 40 DDAB COc1ccc(C(=O)NC(=O)CSC2=NCCS2)cc1 9762226 AMJBDRBTBZYMES-UHFFFAOYSA-N 310.400 1.788 0 40 DDAB Cc1nccn1-c1cncc(N2CC[S@@](=O)C(C)(C)C2)n1 92921058 YQASDMWQRDWBNF-NRFANRHFSA-N 305.407 1.318 0 40 DDAB CN(C)CCN(C)c1nc(-c2cccnc2)nc2c1cnn2C 72162027 QYKLTBWFJGWMQZ-UHFFFAOYSA-N 311.393 1.423 0 40 DDAB C[C@H]1CCOCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 97082857 ABTCUTCHGDTFLL-VIFPVBQESA-N 324.324 1.900 0 40 DDAB CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 72282136 BZHMLIBLCBCLQP-ZYHUDNBSSA-N 307.419 1.690 0 40 DDAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cncc(F)c1 97101003 VAUQPEHKQJJEHP-UHFFFAOYSA-N 302.371 1.506 0 40 DDAB Cc1ccc(NC(=O)NC(C)(C)CCO)cc1-n1cnnn1 72313557 MIBPDOXEVHVWED-UHFFFAOYSA-N 304.354 1.253 0 40 DDAB CCc1nn(C)c2[nH]nc(NC(=O)Cc3c(C)noc3C)c12 75139794 UZNYWWZOOLTJOS-UHFFFAOYSA-N 302.338 1.645 0 40 DDAB CNC(=O)CN1CCCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 89913611 ALOKBYQNMJVLOG-GFCCVEGCSA-N 323.441 1.182 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)C1CC1 25771890 CSDBLLACMPNDLL-WFASDCNBSA-N 324.446 1.904 0 40 DDAB CCO[C@H](C)c1nc(CSc2n[nH]c(=O)n2C)cs1 76695802 DEGUMVPSHPBDOH-SSDOTTSWSA-N 300.409 1.955 0 40 DDAB CC(C)NC(=O)CNC(=O)c1cccnc1OCC(F)(F)F 23114441 FFOGLKOGHWIQAJ-UHFFFAOYSA-N 319.283 1.277 0 40 DDAB O=C(NCCc1ccccn1)c1cnc2sccn2c1=O 79487519 CXANDHVUBXFZGP-UHFFFAOYSA-N 300.343 1.124 0 40 DDAB COc1ccc(-c2ncc(C(=O)O)c(N3CCOCC3)n2)cc1 35981483 GTOIVUMNOXIXTC-UHFFFAOYSA-N 315.329 1.687 0 40 DDAB COCc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1 316405496 XGFLRTGXTJDNPG-UHFFFAOYSA-N 302.374 1.575 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)CS(=O)(=O)C(C)C)C1 69894930 SGBUQYINCCBQMJ-CYBMUJFWSA-N 313.423 1.178 0 40 DDAB C[C@H]1CN(C(=O)CC[C@H]2CCCCN2C)C[C@@H](C)S1(=O)=O 568341315 VUGREYBBQBDZCC-HZSPNIEDSA-N 316.467 1.285 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCCCC1 33827068 ZJWZKMYVMADGCM-CYBMUJFWSA-N 310.419 1.756 0 40 DDAB Cc1cc(C(=O)c2ccccc2)cnc1N1CCN(C=O)CC1 72222636 DSWYMPMRMINRPW-UHFFFAOYSA-N 309.369 1.899 0 40 DDAB C=CC(=O)NCCC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 1570152719 VIVCBNVULDOPMH-VXGBXAGGSA-N 308.403 1.777 0 40 DDAB CC(=O)N1CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2C1 40647463 AQVCSPHFSLACRJ-UHFFFAOYSA-N 310.419 1.668 0 40 DDAB NCC1(C(=O)NCc2ccn(C3CCCC3)n2)CCOCC1 567909695 OGRVFNDTNAMFLZ-UHFFFAOYSA-N 306.410 1.370 0 40 DDAB CCc1nc([C@@H](C)NC(=O)c2nn(C)c3c2CCCC3)n[nH]1 565756576 WVKJFMNHWQBDEA-SECBINFHSA-N 302.382 1.470 0 40 DDAB CSC[C@@](C)(O)CNC(=O)c1c[nH]nc1-c1ccccc1 80404895 GAGQYEUCOBYRIQ-HNNXBMFYSA-N 305.403 1.921 0 40 DDAB CC(C)(C)n1cnc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)n1 569696914 FGDTVTBSCCNKIZ-NSHDSACASA-N 314.345 1.862 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)nn1 225439574 RNMSVXNOTXYIEX-NSHDSACASA-N 317.349 1.119 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 225459511 GGUYPIUYJFOVBP-ZDUSSCGKSA-N 314.345 1.157 0 40 DDAB COc1ccc(CCCN(C)[C@H]2CCS(=O)(=O)C2)cc1F 195572790 GUPROFKIFVZTKE-ZDUSSCGKSA-N 315.410 1.886 0 40 DDAB COc1cc(OC)nc(N2CCC[C@H](N3CCCC3=O)CC2)n1 334117854 ISGYHDRPFFQFDZ-LBPRGKRZSA-N 320.393 1.475 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1cnc(C)cn1)C2 96198048 YAUJZOLNQUOIRP-CYBMUJFWSA-N 315.377 1.387 0 40 DDAB O=C(c1ccco1)N1CCCn2nnc(CN3CCCC3)c2C1 96084692 PJJOEZJXTVCFGU-UHFFFAOYSA-N 315.377 1.513 0 40 DDAB Cc1ccc(N[C@H]2CO[C@]3(CCN(C4CCOCC4)C3)C2)nn1 96219545 QUNFUNSTOBURHE-RHSMWYFYSA-N 318.421 1.609 0 40 DDAB CC(C)c1ccc([C@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 96502012 SZWPEPLKHKFZJR-XJKSGUPXSA-N 315.417 1.514 0 40 DDAB COc1ccc(CCN2C[C@@H]3CNC(=O)[C@H](C)[C@@H]3C2)cc1OC 96070431 WETFVGSEFIXMCX-SNPRPXQTSA-N 318.417 1.560 0 40 DDAB COc1cc(CNC(=O)c2nc(C)ns2)cc(OC)c1OC 96098494 CWQYVQMVJANFDY-UHFFFAOYSA-N 323.374 1.802 0 40 DDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(C)n1 96056502 CYFRKRZCOWCULW-HUUCEWRRSA-N 317.389 1.242 0 40 DDAB O=S(=O)(c1cccnc1)N1CCN(C[C@H]2CC=CCC2)CC1 96489862 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CC(C)C[C@@H](NC(=O)c1cscn1)C(=O)Nc1cc[nH]n1 96449104 QMWQUEJUVILASL-SECBINFHSA-N 307.379 1.649 0 40 DDAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)CC 242688173 VJIVNVRXMXWSGF-UMVBOHGHSA-N 311.403 1.095 0 40 DDAB CCCCc1nc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)c[nH]1 257271327 MXVRTNGMBHGXJU-GJZGRUSLSA-N 308.426 1.214 0 40 DDAB O=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257317155 VIPFJCBRBBBOFA-HOTGVXAUSA-N 317.364 1.789 0 40 DDAB CCCS(=O)(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C 257340892 ZHYSGROBUWZHEU-ZDUSSCGKSA-N 312.439 1.381 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnccn2)n1 257243047 IFHAWFISRSYYIX-AWEZNQCLSA-N 312.377 1.306 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCC(n2cncn2)CC1 63990969 CDBNJDDXQIRTHT-UHFFFAOYSA-N 310.354 1.443 0 40 DDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257256686 KMLZOXSNEOWPCF-BZSNNMDCSA-N 318.417 1.500 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)[C@@H](C)CSC)O1 253392600 DPKPPLZBXGZODC-WJTVCTBASA-N 315.435 1.696 0 40 DDAB Cc1nccc(N2CCO[C@H](CCc3cc(O)ncn3)C2)n1 257259711 KZQBGJBXLYQRPM-CYBMUJFWSA-N 301.350 1.119 0 40 DDAB NCc1cn(-c2ccccc2C(=O)NCCc2ccncc2)cn1 257255116 KGDWRDDKWFOBLQ-UHFFFAOYSA-N 321.384 1.699 0 40 DDAB CO[C@H](CN)CC(=O)Nc1cccc(N2CCCCC2=O)c1 262886584 OBDJNQBVDGCDDL-AWEZNQCLSA-N 305.378 1.506 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)Oc1ccc(-n2cccc2)cc1 575424040 JTYOAIAMUWFNRM-GFCCVEGCSA-N 320.370 1.753 0 40 DDAB CO[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1Cc1ccccc1 585113476 ONQMARDAOMBTPR-SFFUCWETSA-N 315.413 1.985 0 40 DDAB Cc1ncn(CC2CCN(CC3CCOCC3)CC2)c(=O)c1C 585632556 VBUNKCOARPSNKN-UHFFFAOYSA-N 319.449 1.999 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CCCC[C@H]1Cn1cccn1 69780265 OPFHKFKWQACWOM-ULQDDVLXSA-N 323.437 1.294 0 40 DDAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1C(=O)O 72274549 DLAORJRXHZSKIB-GFCCVEGCSA-N 307.346 1.848 0 40 DDAB O=C(COCCc1ccccc1)N1CCC[C@H](n2cncn2)C1 72235006 BDSVCDSRJYZVRE-INIZCTEOSA-N 314.389 1.701 0 40 DDAB CNC(=O)c1cccc(CNC(=O)Nc2ccc(OC)nc2)c1 48018218 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O=C1NC2(CCN(C(=O)c3ccccn3)CC2)Nc2ccccc21 12117896 QTNYDRKMBGZREF-UHFFFAOYSA-N 322.368 1.869 0 40 DDAB O=C(NC1CC1)[C@@H]1C=CCN1S(=O)(=O)Cc1ccccc1 13566186 DOXMGJSDQXXHSI-AWEZNQCLSA-N 306.387 1.035 0 40 DDAB CCc1ccccc1N1C(=O)C[C@@H](SC[C@H](N)C(=O)O)C1=O 19720203 NDGHKFVGMXQVJA-CMPLNLGQSA-N 322.386 1.026 0 40 DDAB CC[C@H](O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O 156724392 URBMSLPRAUGIIY-GXFFZTMASA-N 316.279 1.767 0 40 DDAB Cc1cc(C)cc(NC(=O)C(=O)NCCCN2CCCC2=O)c1 4583610 NMGSHHBCKIUGJH-UHFFFAOYSA-N 317.389 1.371 0 40 DDAB O=C1OCCN1[C@@H]1CCN(c2ncc(Br)cn2)C1 853808537 HDIZVRJFKASIMA-SECBINFHSA-N 313.155 1.270 0 40 DDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CC1 6841511 BCFCXXIPGFXLMQ-UHFFFAOYSA-N 304.346 1.655 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nc3cnccc3s2)CCO1 1889085882 AQLYKTKHBQOVDI-NSHDSACASA-N 304.375 1.175 0 40 DDAB CC(C)NC(=O)COC(=O)c1cc(Br)ccc1N 9910802 LLRNXDOQQIHHBO-UHFFFAOYSA-N 315.167 1.713 0 40 DDAB CN1C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)COCC1=O 2037985260 DBRSRCANFOAGBO-MRXNPFEDSA-N 322.792 1.661 0 40 DDAB CN(C)[C@@H]1CCOC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1614946933 ABYVBRXAPXJIJO-CQSZACIVSA-N 310.438 1.393 0 40 DDAB Cn1ccnc1N[C@@H]1CO[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 1565546236 WJUAMDJGTGUSAP-SWLSCSKDSA-N 322.384 1.484 0 40 DDAB O=C(NCCOCCn1ccnc1)[C@@H]1CCc2ccccc2O1 575620885 WBFBJENMIKGFRE-INIZCTEOSA-N 315.373 1.410 0 40 DDAB COc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1F 40549124 VHDJPLJBTNUWJD-UHFFFAOYSA-N 313.354 1.089 0 40 DDAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CCSCC1 40540655 VLOUMSJJFPPYCF-ZDUSSCGKSA-N 311.403 1.342 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)Nc1nnc(C)s1 40526497 OMWIWRRMBSESQM-SNVBAGLBSA-N 308.363 1.710 0 40 DDAB COc1ccc(CN(C)C(=O)[C@@H](NC(C)=O)C(C)C)c(OC)c1 21333554 NNMCKLNUVIVZMQ-INIZCTEOSA-N 322.405 1.823 0 40 DDAB C[C@@H](C(N)=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804132 AJJQTHXZARTIFN-ZDUSSCGKSA-N 315.417 1.157 0 40 DDAB Cc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 32865766 AANHQGALIGUXTP-LSDHHAIUSA-N 307.415 1.997 0 40 DDAB O=C(CCCNC(=O)C1CC1)Nc1ccc2oc(=O)[nH]c2c1 33015836 FHKOLEXNABDSNX-UHFFFAOYSA-N 303.318 1.366 0 40 DDAB C[C@]1(NC(=O)c2ccc3ccccc3n2)CCS(=O)(=O)C1 22740854 JJCLRQWLPGOTDG-HNNXBMFYSA-N 304.371 1.542 0 40 DDAB CCOC(=O)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 302732 FGOCCJYPIFEMJD-NSHDSACASA-N 303.240 1.899 0 40 DDAB COc1c(C[C@@H]2CC(C(=O)O)=NO2)cc2c(c1OC)OCO2 12418023 LVKLYCODANKYAS-MRVPVSSYSA-N 309.274 1.205 0 40 DDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCn1cncn1 23749801 JJYCUFAIHLRXCA-UHFFFAOYSA-N 310.361 1.513 0 40 DDAB Cc1cc(NC(=O)CN2CCO[C@H](C)C2)n(-c2ccccc2)n1 24032666 UQMKPFVCNPIACP-CQSZACIVSA-N 314.389 1.840 0 40 DDAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)C1CC1 4105913 VELSNBIKDDNVQI-OAQYLSRUSA-N 301.371 1.983 0 40 DDAB CC(=O)Nc1ccc(NCc2c(O)nn3cnnc3c2C)cc1 6565168 PTHKWLOPZINUKY-UHFFFAOYSA-N 312.333 1.709 0 40 DDAB CC1CCC(N2C[C@H](C(=O)N[C@@H](CCO)C(C)C)CC2=O)CC1 84689308 YSBQHWGQJHTHGI-KNIAUWFNSA-N 324.465 1.937 0 40 DDAB Cc1cnc(CN2CCN(Cc3nccn3C)[C@@H](C)C2)cn1 106660299 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O=C(CN1CCC(c2cc[nH]n2)CC1)NCCc1ccccc1 58218583 GYWACEHEVUGYHA-UHFFFAOYSA-N 312.417 1.948 0 40 DDAB COC[C@H](C)N(C)C(=O)NC1CCN(c2ncccn2)CC1 44968320 FQRJFSDNPKOMQL-LBPRGKRZSA-N 307.398 1.122 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1Cc2ccccc2O1 28405463 BFIKGDMWNQPRQG-AWEZNQCLSA-N 300.362 1.565 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccccc2N)C1 101038976 RPSOEEVYCCKIDJ-SWLSCSKDSA-N 320.437 1.868 0 40 DDAB Cc1cccc(C)c1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 95460646 QTHKFJUTYFCFTP-ZIAGYGMSSA-N 304.390 1.669 0 40 DDAB CC(C)C[C@@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCO2 29386192 IJHDWGRBEGICMK-GFCCVEGCSA-N 321.377 1.157 0 40 DDAB C[C@@H]1CN(C(=O)NCCc2nnc3ccccn23)C[C@@H](C)O1 48310942 FOEKJBRYNJASJU-VXGBXAGGSA-N 303.366 1.091 0 40 DDAB O=C(NCc1ccn2ccnc2c1)N1CCOC[C@H]1C1CC1 179212864 ZEPPIHLCZOGZMW-AWEZNQCLSA-N 300.362 1.655 0 40 DDAB CN(CCNS(=O)(=O)c1ccc(N)cc1)C1CCCCC1 97375617 NWNGEBMKCCNUDT-UHFFFAOYSA-N 311.451 1.812 0 40 DDAB NC(=O)Cn1c(SC[C@@H]2CCCO2)nnc1-c1cccs1 12815354 JRCCLYNFYQPWQH-VIFPVBQESA-N 324.431 1.763 0 40 DDAB Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCC(O)CC2)c1C 13248443 ZHNHWTTWFNLAHG-UHFFFAOYSA-N 313.375 1.147 0 40 DDAB O=C(NCCCn1cccn1)NC[C@H](O)c1ccc(F)c(F)c1 49243999 VQDDLXWQGKBWAT-AWEZNQCLSA-N 324.331 1.584 0 40 DDAB Cn1cccc1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 39570478 YXRDEQAJNOZKCS-GOSISDBHSA-N 323.352 1.601 0 40 DDAB CCn1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cn1 28575206 NUKIOMZPVPYCOQ-UHFFFAOYSA-N 320.437 1.668 0 40 DDAB Cc1ccc(C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 14111095 ZSCJDNRIPXGTBN-CYBMUJFWSA-N 306.387 1.509 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)[C@@H]1CCCO1 14221041 SZEYEKILDFFQCL-SCZZXKLOSA-N 313.404 1.537 0 40 DDAB O=C(COC(=O)c1cnccn1)c1ccc2c(c1)OCCO2 5469487 WNHSFGKUWBFQGW-UHFFFAOYSA-N 300.270 1.288 0 40 DDAB O=C(CSc1nnc2[nH]c3ccccc3n12)N1CCCC1 6508803 LYNPAOWJUSBIQY-UHFFFAOYSA-N 301.375 1.925 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2F)CC1 27500646 BGDWBOLMBJVRSZ-AWEZNQCLSA-N 322.384 1.167 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cn1 6623298 KABTUNXJBUJMSS-UHFFFAOYSA-N 324.314 1.295 0 40 DDAB CC(C)OCCCN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 4815959 KDHMDEMQZRVXLT-AWEZNQCLSA-N 308.353 1.862 0 40 DDAB O=S(=O)(c1cncc(F)c1)N1CCO[C@@H]2CCCC[C@@H]21 96402467 AWJQNJJQCPEQJH-QWHCGFSZSA-N 300.355 1.553 0 40 DDAB O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCOC1 96444668 APKIHPOBZVZXRO-INIZCTEOSA-N 317.433 1.351 0 40 DDAB NC(=O)[C@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CCO1 96451984 BAVBJDPZXNPIQP-CYBMUJFWSA-N 316.323 1.824 0 40 DDAB CC(C)OCc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 9515080 GMVBTAGTKZHCLM-HNNXBMFYSA-N 304.390 1.949 0 40 DDAB C[C@@H](COCC(F)(F)F)NC1=NS(=O)(=O)c2ccccc21 67507727 MDJUXXBYYQIUQF-QMMMGPOBSA-N 322.308 1.693 0 40 DDAB CCOCC(=O)OCc1nc(N)nc(Nc2ccc(C)cc2)n1 15800461 BDNXLSPGLFQXBR-UHFFFAOYSA-N 317.349 1.586 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Nc2ncnc3ccccc23)C1 67904557 NGUMTVQOLLJILP-LLVKDONJSA-N 306.391 1.466 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)C2)c1 69415271 VAFFYIFBQPJKTB-XHSDSOJGSA-N 321.421 1.939 0 40 DDAB COc1ccc(OCCN(C)C(=O)c2cc[n+]([O-])cc2)cc1 69551801 YWTNEZKZTPMJCD-UHFFFAOYSA-N 302.330 1.480 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](n3ccnc3)C2)n1 69660137 MJPCJAUOLKDWFA-OAHLLOKOSA-N 301.394 1.950 0 40 DDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H]1CO 69841249 ICSCKJOAOKTAGS-CHWSQXEVSA-N 317.389 1.207 0 40 DDAB CC(=O)c1cccc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 69874458 GQFCJQUACDGICQ-QWRGUYRKSA-N 312.391 1.655 0 40 DDAB O=C(C[C@H]1COCCN1)N1CCC2(CCc3ccccc32)CC1 72120724 WPWJOULTXLBCLD-INIZCTEOSA-N 314.429 1.872 0 40 DDAB CC(=O)N1CCN(CC(=O)N2CCSc3ccccc32)CC1 18708684 AJBMJCJADNDNHU-UHFFFAOYSA-N 319.430 1.289 0 40 DDAB CN1CC[C@H](Nc2ccccc2C(=O)NCc2ccco2)C1=O 97013041 QQRJLMWXZVTGHY-HNNXBMFYSA-N 313.357 1.852 0 40 DDAB CCOC[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C(=O)NC)C1 97020323 HLDLZGHDPAOPFK-RDBSUJKOSA-N 311.426 1.359 0 40 DDAB CS(=O)(=O)NC(=O)CSc1ccc(C(F)(F)F)cn1 72275848 OJLOHLBWLFOQNS-UHFFFAOYSA-N 314.310 1.268 0 40 DDAB CCc1cc(CNC(=O)Nc2ccc(CC(=O)NC)cc2)on1 72295052 WXGTZURJYCYRKJ-UHFFFAOYSA-N 316.361 1.847 0 40 DDAB CCOc1ccccc1NCC(=O)N1CCC2(CC1)OCCO2 89272091 UFMYCUWUBZBVNV-UHFFFAOYSA-N 320.389 1.863 0 40 DDAB COCCOCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 75105954 PHHPLRFKSMFEAF-UHFFFAOYSA-N 319.405 1.630 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(Cc2ccno2)C1 89741313 SEQCLVMHBWEDCG-ZDUSSCGKSA-N 316.409 1.387 0 40 DDAB COc1ccc(NC(=O)N2CCC[C@@H](c3nncn3C)C2)cn1 89761906 YKSPUVAJFPWDSJ-LLVKDONJSA-N 316.365 1.630 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C1CCCC1 75583637 UMFQFTYITUSDOC-CABCVRRESA-N 319.409 1.137 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)no1 76047372 BIVXSHDQKLOPSA-GFCCVEGCSA-N 318.381 1.345 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccccc3F)C[C@@H]2C)CC1 76055414 VOPQDTYFIRVYOP-KSSFIOAISA-N 319.424 1.810 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)c3cccs3)CCO2)n1 76044695 RKSUBNXKOAUUCE-MWLCHTKSSA-N 306.391 1.878 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc(C)no2)c1 25401170 XSZBXJSFGDUMPY-UHFFFAOYSA-N 310.331 1.248 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1cccnc1 32578706 ZUPWCWMZVGEOIM-SECBINFHSA-N 304.331 1.657 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1cccc2c(O)cccc12 36359553 DBDUKJBNENQUPJ-UHFFFAOYSA-N 315.373 1.552 0 40 DDAB O=C(c1cccs1)N1CCN(c2ncnc3[nH]cnc23)CC1 30819297 FPLBKOMYFLVDFI-UHFFFAOYSA-N 314.374 1.377 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2ccc(-n3ccnc3)cn2)C1 72364820 XXVZOXDKARIWHP-GFCCVEGCSA-N 306.391 1.406 0 40 DDAB COCCS(=O)(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 77966205 HBDIETXJJWSTOW-UHFFFAOYSA-N 315.782 1.914 0 40 DDAB NS(=O)(=O)NC[C@H]1CCCN(CCCc2ccccc2)C1 69892979 OFOGLEZKTJAEIQ-OAHLLOKOSA-N 311.451 1.124 0 40 DDAB CC(C)Oc1cccc(Cn2cnc3c(c2=O)CCNCC3)c1 567468473 RGVCNQTZFOLSTQ-UHFFFAOYSA-N 313.401 1.767 0 40 DDAB NC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 39987527 GRWQQWCTVCSVBA-LBPRGKRZSA-N 304.325 1.716 0 40 DDAB NS(=O)(=O)c1ccc(CC(=O)NCC2=CCCCC2)s1 562769064 IZRRKISYSHBGEC-UHFFFAOYSA-N 314.432 1.555 0 40 DDAB CS(=O)(=O)c1cc(Br)ccc1C1OCCO1 44231726 JNZFJBLHILOTDU-UHFFFAOYSA-N 307.165 1.898 0 40 DDAB CCOc1cccc(NC(=S)NCCN2CCCC2=O)c1 225812301 KCAAWQJKHZUINJ-UHFFFAOYSA-N 307.419 1.994 0 40 DDAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(O)[nH]c2=O)c1 41606016 PFCXZRMMHPNAGD-QMMMGPOBSA-N 306.347 1.298 0 40 DDAB CC(C)NC(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1 226747679 UBWLUKWVSICDMO-AWEZNQCLSA-N 309.391 1.272 0 40 DDAB Cc1noc(CCCNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)n1 225520361 ICEUQXUBNIXXGP-NSHDSACASA-N 303.366 1.263 0 40 DDAB Cc1ccc2ncnc(N3CC[C@@H](n4cc(C(=O)O)nn4)C3)c2c1 573358830 USYOCPTUPWIQGB-LLVKDONJSA-N 324.344 1.679 0 40 DDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 96042837 IRFDCPAXGRCDBV-NUEKZKHPSA-N 301.390 1.910 0 40 DDAB O=C1[C@H]2CN(C3CCOCC3)C[C@H]2CN1Cc1cccnc1 96245075 GNOYORJQEBIMDR-HOCLYGCPSA-N 301.390 1.151 0 40 DDAB C[C@H](CNC(=O)c1ccc(=O)n(C)n1)Oc1cccc(F)c1 96425907 MCIGVVZYZUHKHN-SNVBAGLBSA-N 305.309 1.117 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)c2cnn3c2OCCC3)cc1 90583954 RINJSLCHDRAXOQ-UHFFFAOYSA-N 321.358 1.321 0 40 DDAB CCc1cc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)on1 96422097 ISCOVVJLHIGCJF-UHFFFAOYSA-N 305.309 1.939 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2ccc(Cl)cn2)CC1 96436927 CIMWCQFHRASILY-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4csc(C)n4)C[C@H]3O2)n1 96220671 FKZKJGPDRZNKKW-IACUBPJLSA-N 320.418 1.975 0 40 DDAB O=C(c1n[nH]c2c1CCN(Cc1ccco1)C2)N1CCCC1 96058576 ILBRZYIOJAKPFL-UHFFFAOYSA-N 300.362 1.797 0 40 DDAB COCC(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 96255298 WWZUJIRQDUJTSW-UHFFFAOYSA-N 315.348 1.856 0 40 DDAB CC(C)CS(=O)(=O)N1CCC(N[C@H]2CCCSC2)CC1 97370948 JFOPQIHWLTUIEP-AWEZNQCLSA-N 320.524 1.922 0 40 DDAB Cc1ccc(NC(=O)CCn2cccn2)cc1S(C)(=O)=O 96485485 RYMGUPKYAMGWPI-UHFFFAOYSA-N 307.375 1.624 0 40 DDAB CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccccc1 96200802 GYGSCQFISPYUDP-SJORKVTESA-N 310.401 1.864 0 40 DDAB Cc1c[nH]/c(=N/C(=O)c2c[nH]c(C)c(Br)c2=O)[nH]1 96500649 JNDZZQRYMWILNP-UHFFFAOYSA-N 311.139 1.152 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(N)CO)cc1 242543335 JXBFZNILVDCIJW-BRWVUGGUSA-N 317.410 1.625 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 257265348 LYHRDPPXXMOPEI-CYBMUJFWSA-N 320.418 1.757 0 40 DDAB CN1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 253402103 NYFZHMYRHIAVTG-AWEZNQCLSA-N 323.462 1.086 0 40 DDAB biogenic,in-vitro Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1 257323177 WJATVOWRKSVGDN-NSHDSACASA-N 307.785 1.974 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257226980 FNBNXJKANQYUGR-RDJZCZTQSA-N 305.374 1.380 0 40 DDAB Cc1cc(F)ccc1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257344090 ZVSSUFWNHKPSBE-RDJZCZTQSA-N 307.365 1.819 0 40 DDAB CC[C@@](CNC(=O)C(=O)Nc1ccon1)(OC)c1ccccc1 96123796 CVNOKXQLYVMBAO-INIZCTEOSA-N 317.345 1.681 0 40 DDAB CSCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575404066 PPIUFCJTVSXOAT-LLVKDONJSA-N 310.444 1.910 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccnc(C)c1 585278558 UNNBMLYMUTXELA-MRXNPFEDSA-N 305.378 1.147 0 40 DDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)C1CCOCC1 585284179 FVKPCFHSUZTOJG-DJIMGWMZSA-N 319.401 1.748 0 40 DDAB Cc1ccc2[nH]c(C(=O)N[C@@H](CO)c3cncn3C)cc2c1C 585140518 GRWDEYOWWNFJKI-HNNXBMFYSA-N 312.373 1.982 0 40 DDAB O=S(=O)(c1cccs1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 828388626 PHVOIDLRMADSTK-QWRGUYRKSA-N 324.431 1.896 0 40 DDAB CC(C)CN(CC(C)C)CN1C(=O)N[C@@]2(CCSC2)C1=O 30542196 RTZRDXJXFXZPRN-OAHLLOKOSA-N 313.467 1.985 0 40 DDAB CCOc1ccccc1CCC(=O)NCCN1CCN(C)CC1 53717983 QOVGQWMNMJJKPU-UHFFFAOYSA-N 319.449 1.382 0 40 DDAB Cc1cncc(C(=O)N2CCN(c3nc(C)ns3)CC2)c1 74021517 ZWYIECUFVKAIAJ-UHFFFAOYSA-N 303.391 1.512 0 40 DDAB COCCN(C(=O)CNC(=O)Cc1ccccc1)C1CCCC1 56136307 DZDDJDIPCXLFHF-UHFFFAOYSA-N 318.417 1.763 0 40 DDAB O=C(C1CC1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005057 CCBSJZPOXOFQQP-CQSZACIVSA-N 308.403 1.829 0 40 DDAB Cc1cc(S(=O)(=O)N2CCOC[C@H]2CCO)c(C)s1 90445882 WBGHMKLQSHPSAT-LLVKDONJSA-N 305.421 1.137 0 40 DDAB Nc1nccnc1C(=O)N1CC[C@H](COCc2ccccc2)C1 96426851 FVZHERQMLXGQNO-AWEZNQCLSA-N 312.373 1.738 0 40 DDAB CN1C[C@@H]2Oc3ccc(C(F)(F)F)cc3C(=O)N(C)[C@@H]2C1 1534640244 ZIXXAHGANYMJRO-PWSUYJOCSA-N 300.280 1.852 0 40 DDAB COCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OC 12444000 GJVQEMBTGRURCX-UHFFFAOYSA-N 307.325 1.786 0 40 DDAB O=C(C1CC1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 13266352 KUWGBOFOGLACKQ-UHFFFAOYSA-N 314.345 1.953 0 40 DDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(C)c1 15299109 WQNAGXPUOZOOGK-OAHLLOKOSA-N 324.446 1.120 0 40 DDAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 16638837 XQKQJSYOCQTSTN-UHFFFAOYSA-N 316.398 1.753 0 40 DDAB Cc1cc(N(C)C)nc(CNC(=O)[C@H](C)Oc2ccccc2)n1 206722768 WNGXCENNWDBILI-ZDUSSCGKSA-N 314.389 1.935 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](n3ccnn3)C2)cc1 206934400 VTRXYMVBSKCHDI-ZDUSSCGKSA-N 320.374 1.116 0 40 DDAB COC[C@](C)(CNC(=O)C1(c2ccccc2OC)CC1)OC 618255456 QAKYOCWRRZZOPV-INIZCTEOSA-N 307.390 1.895 0 40 DDAB COC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@@H](C(N)=O)C1 521394245 QRZYSLXWLANQTB-SSDOTTSWSA-N 317.267 1.199 0 40 DDAB O=C(O)CCS(=O)(=O)Cc1cccc(Br)c1 19486353 ZQKRBSDSEBBJFQ-UHFFFAOYSA-N 307.165 1.839 0 40 DDAB in-vitro C[C@H](C(=O)O[C@@H]1CCCCC1=O)N1C(=O)c2ccccc2C1=O 5881249 WWRBQRCBUBMARB-QMTHXVAHSA-N 315.325 1.726 0 40 DDAB Cc1nsc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888847502 LXSFTYZOMWJQAV-TXEJJXNPSA-N 314.370 1.472 0 40 DDAB Cc1cncc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037981212 ZSGKIHAAGLHUBH-GOSISDBHSA-N 317.433 1.849 0 40 DDAB C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 93467944 IBPZSXPJZASLOK-VHSXEESVSA-N 305.346 1.889 0 40 DDAB CCOC(=O)CCC(=O)NCCn1cc(-c2ccoc2)cn1 575614845 KNAKVTWHRLUAOR-UHFFFAOYSA-N 305.334 1.603 0 40 DDAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 16031592 QKTGECBOBFPOAE-RYQLBKOJSA-N 318.417 1.849 0 40 DDAB biogenic CN1N=C(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCC1=O 31235781 UFHHWVPXGAKDDZ-ZDUSSCGKSA-N 314.389 1.237 0 40 DDAB CC(C)n1nc(C(=O)NC[C@H]2CCCO2)c2ccccc2c1=O 40457536 NLFVVBKDKSPRHC-GFCCVEGCSA-N 315.373 1.886 0 40 DDAB CC(=O)Nc1nc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cs1 32766789 YITQJAFYDIQNGH-UHFFFAOYSA-N 320.374 1.337 0 40 DDAB CC(=O)N1CCN(CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 22057321 XWJHGBGURDEBOB-GOSISDBHSA-N 317.433 1.664 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 104163598 FMMCKONUOQGALJ-BTFPBAQTSA-N 313.353 1.713 0 40 DDAB O=C(COc1cccc(C(=O)NC2CC2)c1)NCC(F)(F)F 54271091 ZPYGGHLHUKYMGG-UHFFFAOYSA-N 316.279 1.636 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CCOC1 55337396 JMSHRKRUNDARFV-SNVBAGLBSA-N 304.375 1.675 0 40 DDAB CC(=O)N1CCCN(C(=O)NC2CC(C)(C)NC(C)(C)C2)CC1 78311669 YBJOYFQKDALGNP-UHFFFAOYSA-N 324.469 1.559 0 40 DDAB CCOc1cccc(N2CCN(C(=O)c3cc(C)no3)CC2)n1 106706715 RWGUHDGOCOAAIY-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB NS(=O)(=O)C[C@@H]1CCCN(CCOc2ccccc2F)C1 79311443 MYDUWFAEUGNTDN-GFCCVEGCSA-N 316.398 1.205 0 40 DDAB CCn1cc(NC(=O)NCc2ccc3c(c2)OCCO3)cn1 43644672 JVABXBMYUVILCP-UHFFFAOYSA-N 302.334 1.996 0 40 DDAB Cc1cc(NC(=O)CNc2cc(Cl)ccc2C(N)=O)no1 25745416 DOLJTGMAUBVDJK-UHFFFAOYSA-N 308.725 1.786 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@@H]1N1CCOCC1 107354766 IQCLRQFMPZQFAF-IMJJTQAJSA-N 310.438 1.371 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccco2)CC1 35578202 MJPSCYATZLHFIS-UHFFFAOYSA-N 324.377 1.925 0 40 DDAB Cc1nccn1C[C@@H]1CCCN1c1nccc(-n2cccn2)n1 95407809 KMVYJMALZCSQNO-AWEZNQCLSA-N 309.377 1.836 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nccn1Cc1ccccc1 8725587 QAKPBUVOQSZYJP-LLVKDONJSA-N 318.402 1.868 0 40 DDAB C[C@@H](NCC(=O)N1CCNC(=O)C1)C12CC3CC(CC(C3)C1)C2 95410030 QMSJPFPZOXJGIO-QLFDAEIZSA-N 319.449 1.139 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cncn2-c2ccccc2)CC1 44869637 QBGAAISOALFTBO-UHFFFAOYSA-N 312.373 1.613 0 40 DDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccccc1Cl 48009304 XXYNKSBTBIZVLZ-AWEZNQCLSA-N 323.824 1.557 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)CN(C)C(=O)c2cccs2)C1 58216111 JCGQCDMNVCQKAG-ZDUSSCGKSA-N 323.462 1.667 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccnc(-n2cncn2)c1 58391878 RWSYOVRAABKEOS-LBPRGKRZSA-N 301.350 1.161 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NC(C)(C)C 58411470 WSTKLZRHSNKFML-NEPJUHHUSA-N 323.437 1.197 0 40 DDAB CCOCCCNC(=O)Nc1ccc(Cn2cncn2)cc1 9874178 ULIALWHMYMZAEU-UHFFFAOYSA-N 303.366 1.875 0 40 DDAB COc1cccc(CNC(=O)Nc2ccc(-n3cnnn3)cc2)c1 58863262 FOSDVWHDWGLJCW-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCSCC2)[C@@H]1c1ccccc1 57355871 WSJQCUMHGXPGOO-GJZGRUSLSA-N 320.414 1.160 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)ccc12 11867251 VPWLIVMOLZHPBS-UHFFFAOYSA-N 318.373 1.548 0 40 DDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCn1ccnc1)OC2=O 100931244 DTCKJQCNKMXCHA-HZPDHXFCSA-N 305.378 1.511 0 40 DDAB Cc1nccn1CCCCSc1nc2[nH]ncc2c(=O)[nH]1 96002059 ZUCAYTWORBDUGU-UHFFFAOYSA-N 304.379 1.724 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)[C@H](C)n2cncn2)ccn1 47014549 KQIVJCLXPJMGGE-NSHDSACASA-N 311.349 1.045 0 40 DDAB O=C(Cc1cn2ccsc2n1)NC1CCC(C(=O)O)CC1 37561492 SUEMKYQZIJLFLK-UHFFFAOYSA-N 307.375 1.698 0 40 DDAB COc1ccc(-c2noc(C(=O)NC(C)(C)CO)n2)cc1OC 12408301 UTPJJGYBWNVCSM-UHFFFAOYSA-N 321.333 1.255 0 40 DDAB O=C(NCCc1ccccc1F)C(=O)NCc1ccccc1 3096071 WDEHDLMVLUGEIC-UHFFFAOYSA-N 300.333 1.801 0 40 DDAB C[C@H](C(=O)NCCCn1ccc2ccccc21)S(C)(=O)=O 47796427 XHCJBUOGTNBZMH-GFCCVEGCSA-N 308.403 1.581 0 40 DDAB CCc1ccccc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 12788151 MYZJUXZWKOQXPB-UHFFFAOYSA-N 323.352 1.891 0 40 DDAB COC(=O)c1cccc(C(=O)NCCNc2cnccn2)c1 48309706 FFXUJIYXGGUCFQ-UHFFFAOYSA-N 300.318 1.105 0 40 DDAB Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 13395058 MIUDPMAYZUGPJF-BETUJISGSA-N 311.403 1.405 0 40 DDAB NC(=O)NCCC(=O)N1CCc2cc(Br)ccc21 49355643 FFETUYPDZGGWOB-UHFFFAOYSA-N 312.167 1.397 0 40 DDAB CCn1c(C)cc(C(=O)OCc2nc(N)nc(N(C)C)n2)c1C 25055057 AVKSSTOWKAYVEC-UHFFFAOYSA-N 318.381 1.315 0 40 DDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)o1 9478627 DNWMNPQQHRWAGK-MRVPVSSYSA-N 315.289 1.438 0 40 DDAB CC1=C(C(N)=O)[C@@H](c2ccc(OC(F)F)cc2)n2ncnc2N1 6849277 LCMKRSYKXUWEDC-LLVKDONJSA-N 321.287 1.654 0 40 DDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCCC1 5865660 GQYMRPJAKRYZDI-QGZVFWFLSA-N 313.357 1.002 0 40 DDAB CC(=O)Nc1ccc(C2=N/C(=C\c3cnn(C)c3)C(=O)O2)cc1 15189647 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CCCN1CCCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 71853896 STXNYAYMVAPVLM-UHFFFAOYSA-N 314.393 1.220 0 40 DDAB Cc1noc(CCCNC(=O)NCCc2sc(C)nc2C)n1 71888454 VXSUMNQVURYMLN-UHFFFAOYSA-N 323.422 1.926 0 40 DDAB Cc1ccc(-c2noc(C(C)(C)NS(C)(=O)=O)n2)cc1F 81533291 XIEMPTITDUKYED-UHFFFAOYSA-N 313.354 1.968 0 40 DDAB CC(=O)N[C@@H](C)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 94124002 DEDPCBHGYSCWKW-PKSQDBQZSA-N 312.410 1.528 0 40 DDAB CNC(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(Cl)cc1 69381838 BQWFTSHULPQLRC-ZDUSSCGKSA-N 309.797 1.167 0 40 DDAB CNC(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1 96500926 PBBHYWSGNIPCOK-LBPRGKRZSA-N 302.296 1.825 0 40 DDAB Clc1ccc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)nc1 84428995 VAFLPQOOPQJQMB-TZMCWYRMSA-N 311.813 1.884 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCn3ncnc32)cc1C 69627675 MTRNTVDRRSNDFG-UHFFFAOYSA-N 308.363 1.194 0 40 DDAB Cc1ccsc1-c1nnc(SCCC(=O)NC(N)=O)o1 69655146 RUGQGWFWPHSPNQ-UHFFFAOYSA-N 312.376 1.784 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1cnn(-c3ccccc3)n1)CC2 69928159 PFVOCLAGUQAPBS-CYBMUJFWSA-N 323.404 1.526 0 40 DDAB O=C1NC(=O)C2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N1 8971209 BZYKOHOIBASHRV-CYBMUJFWSA-N 313.357 1.344 0 40 DDAB C[C@@H]1Sc2ccc(C(=O)NCCN(C)C3CC3)cc2NC1=O 84678172 OTJAOZUUQUIULS-JTQLQIEISA-N 319.430 1.943 0 40 DDAB O=C(C[C@H]1CCCCO1)NCCn1c(C2CC2)n[nH]c1=S 87377955 XNFYQUVOHPTSMV-LLVKDONJSA-N 310.423 1.893 0 40 DDAB O=C([C@@H]1COCCO1)N(CCN1CCCC1)Cc1ccccc1 72277518 KIZSAIOBHOJFLP-KRWDZBQOSA-N 318.417 1.526 0 40 DDAB CCCCc1ccc(CC(=O)N[C@@H](C(=O)OC)[C@H](C)O)cc1 97162850 DODQMWGVDNTAOQ-BLLLJJGKSA-N 307.390 1.610 0 40 DDAB CCOC(=O)/C(=C/Nc1nc2cc(Cl)ccc2o1)C(N)=O 95946412 RINPBAMVKCRKLO-SOFGYWHQSA-N 309.709 1.825 0 40 DDAB Cc1nc([C@@H]2CN(CCOc3ccccc3F)CCO2)no1 95958074 CCCROSIKHPPXIV-AWEZNQCLSA-N 307.325 1.969 0 40 DDAB CCNC(=O)c1cc(NC(=O)Cn2ccnc2)nc2ccccc12 95990207 KSKLYZNSVGASQC-UHFFFAOYSA-N 323.356 1.820 0 40 DDAB CC(C)(C)OC(=O)NC1CN([C@@H](C(=O)O)c2ccncc2)C1 66354387 ZRTNFPGXRIXCLM-GFCCVEGCSA-N 307.350 1.416 0 40 DDAB CN(C(=O)NCc1ccncc1)[C@H]1CCC[C@@H]1S(C)(=O)=O 89334815 FHXKMKPPONVPLT-STQMWFEESA-N 311.407 1.189 0 40 DDAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cnn(CC(F)(F)F)c1 75140983 FWPWPYBHBIOEHK-QMMMGPOBSA-N 320.315 1.935 0 40 DDAB O=C(O)C[C@@H](NC(=O)c1cnc(-c2ncccn2)s1)C1CC1 89884851 JIWIYLISAPQDKI-SECBINFHSA-N 318.358 1.583 0 40 DDAB CCOC(=O)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(C)C 89978067 CZJIAGPDMQQBJI-MRXNPFEDSA-N 321.373 1.704 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN(C)Cc2nccn2C)cc1 76017715 NKISUVJINDFKEO-UHFFFAOYSA-N 322.434 1.139 0 40 DDAB CCn1nc2c(cc1=O)CN(Cc1cn3ccccc3n1)CC2 76063898 IEOJDZFUTCWJOO-UHFFFAOYSA-N 309.373 1.469 0 40 DDAB Cn1cc([C@@H](C(=O)O)N2CCOCC2)c2ccc(C(=O)O)cc21 36358095 GOMWRHUGKUKQQM-AWEZNQCLSA-N 318.329 1.334 0 40 DDAB C[C@@H](C(=O)O)N(C)C(=O)CCCN1C(=O)CCc2ccccc21 521366000 LCLGSJUUGJWEOM-LBPRGKRZSA-N 318.373 1.678 0 40 DDAB CCc1ncc(CN(C)c2ncccc2S(N)(=O)=O)s1 79037782 HQOVGKUKIMGSCM-UHFFFAOYSA-N 312.420 1.384 0 40 DDAB COCCCNC(=O)c1cc(Sc2ncccn2)ccn1 72243486 JAYNOWRILDRHAG-UHFFFAOYSA-N 304.375 1.789 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 34916270 GMJOXNUWXVWJCD-UKRRQHHQSA-N 302.374 1.643 0 40 DDAB OC1CCN(Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)CC1 72394702 SRCFGIOAIJNGHY-CYBMUJFWSA-N 314.433 1.987 0 40 DDAB Cc1occc1C(=O)NN1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 226481096 FOVQMZQHADEOLQ-FPQZTECRSA-N 300.314 1.430 0 40 DDAB C[C@H]1CCCCN1Cc1nnc(CN2CCCC[C@H]2C)n1N 225148874 DROOCPPBMWYJOT-OKILXGFUSA-N 306.458 1.741 0 40 DDAB COc1cccc(COCC(=O)NCCCN2CCCC2=O)c1 40529804 QBYISNIEWCSJIN-UHFFFAOYSA-N 320.389 1.341 0 40 DDAB O=C(CN1CCOCC1)N1CCC[C@H]1COc1ccccc1 195554167 XLSSINVGLXQQAK-HNNXBMFYSA-N 304.390 1.389 0 40 DDAB O=C(NCCCn1ccnc1)c1cccc(N2CCCC2=O)c1 198349066 FQKBUORJAJSTEL-UHFFFAOYSA-N 312.373 1.830 0 40 DDAB CCN1CCN(C(=O)c2cc3cccc(C)c3oc2=O)CC1 226035604 VPNKFYBWZBHHQV-UHFFFAOYSA-N 300.358 1.879 0 40 DDAB COc1cc2c(cc1S(=O)(=O)NCCN(C)C)CCCC2 224872690 QCBJCMNKVMUXPG-UHFFFAOYSA-N 312.435 1.414 0 40 DDAB COC[C@@H](C)NC(=O)c1snnc1-c1ccc(OC)cc1 225763810 KZPCVIGKNWRCAZ-SECBINFHSA-N 307.375 1.978 0 40 DDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95477665 GDTYNKQAJYHYTL-LLVKDONJSA-N 316.361 1.069 0 40 DDAB COC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ncn(C)c21 96044761 FWPGCHDULAGUNZ-CYBMUJFWSA-N 317.364 1.874 0 40 DDAB O=S(=O)(Nc1cnn(-c2ccccn2)c1)c1cccnc1 96418166 ZHHQONMXHOFGBX-UHFFFAOYSA-N 301.331 1.463 0 40 DDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 96040330 RZVDYOMZEUIDDE-HUUCEWRRSA-N 317.451 1.634 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)n1nc(-c2cccs2)oc1=O 96494602 XYASJGDYDLEEJH-LLVKDONJSA-N 319.317 1.779 0 40 DDAB Cc1cnc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 96239286 VMDPMXUOGJAECG-MRXNPFEDSA-N 312.377 1.152 0 40 DDAB COCCN1CCOC[C@@]2(CCCN(Cc3ccco3)C2)C1 96049454 LOFVRMXGKXOCTC-KRWDZBQOSA-N 308.422 1.840 0 40 DDAB CC(C)NC(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CO2 96221673 HTYMHPKCYPEGKA-ZDUSSCGKSA-N 319.409 1.630 0 40 DDAB CCc1c(Cl)nc(C)nc1N1CCC[C@H](N2CCNC2=O)C1 96427337 UGOMVLHQSPPJTA-NSHDSACASA-N 323.828 1.995 0 40 DDAB CC(=O)N1Cc2nnn(C)c2[C@H](COCc2ccccc2)C1 96198611 OVCJOBUKMDFWIP-AWEZNQCLSA-N 300.362 1.478 0 40 DDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccccn3)C2)O1 96160177 IWXKGMUKUPLKFK-DLBZAZTESA-N 305.422 1.393 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(C(=O)c2ccoc2)CC3)cn1 96255203 QDHAUNVLLAHAPW-UHFFFAOYSA-N 323.356 1.711 0 40 DDAB CN(C)C[C@H]1CC[C@]2(COCCN(Cc3cccnc3)C2)O1 96052296 OWGGTNZSCUXPGU-SJORKVTESA-N 305.422 1.393 0 40 DDAB Nc1ncnc2c1ncn2[C@@H]1CCC[C@@]2(CC=CCOC2)[C@@H]1O 247536878 ACJYBPGWUPHYJI-AXAPSJFSSA-N 315.377 1.457 0 40 DDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 247872621 RNLXOROFHAAQQZ-AWEZNQCLSA-N 317.389 1.524 0 40 DDAB O=C1CCCN1c1cccc(NC(=O)N(CCO)C2CC2)c1 65476213 AXWRFRUEMSMXKE-UHFFFAOYSA-N 303.362 1.802 0 40 DDAB O=C(CCc1cccs1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257209901 BSISYCNMEVXSRN-IIAWOOMASA-N 324.446 1.021 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccccn2)c1 257211836 CAQLRGHGMUZTLW-KRWDZBQOSA-N 310.401 1.588 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257273334 NGDQHDLIMHVIPB-ZDUSSCGKSA-N 319.386 1.695 0 40 DDAB N=C1O[C@@H]2CSC[C@@H]2N1C(=O)c1ccc2c(c1)OCCO2 257271302 MXSSRIDNJJNADD-JOYOIKCWSA-N 306.343 1.349 0 40 DDAB COc1c2c(c([C@](C)(N)C(F)F)c3c1OCO3)CCN(C)C2 252481621 CPNHRZOXUMBUNK-HNNXBMFYSA-N 314.332 1.851 0 40 DDAB NC(=O)c1cc(C[C@@H]2CCCN(c3ccncn3)CC2)ncn1 257283394 OYCUGHNKUBYJAU-GFCCVEGCSA-N 312.377 1.215 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)COc2cccnc2)C1 257242583 IDFHMABABWXXJX-CQSZACIVSA-N 314.389 1.973 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)oc2c(F)cccc12 257294786 QVSXERICZDFSEV-JHJVBQTASA-N 307.321 1.884 0 40 DDAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc(O)nn1 390827585 IBCLPRVMPXZGEO-NSHDSACASA-N 303.322 1.200 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585290043 ZHHKUEKQIOZXSR-MRXNPFEDSA-N 305.378 1.310 0 40 DDAB Cn1ccnc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO 585293220 SFKFAWQPBRXPIA-IIAWOOMASA-N 321.808 1.395 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cnco1 585287718 CBSFXOGXLNMBRB-BLLLJJGKSA-N 321.377 1.353 0 40 DDAB CN1C[C@H](NC(=O)c2cc(Cl)cc3cccnc23)CC1=O 69484175 MODCJMYZLPLYHJ-LLVKDONJSA-N 303.749 1.849 0 40 DDAB O=S(=O)(NC[C@H]1CCCO1)c1cnn(-c2ccccc2)c1 69037405 ATLWMEIZPOXCGG-CYBMUJFWSA-N 307.375 1.330 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 51381644 SSYRDFWZTSQQAC-WBMJQRKESA-N 306.362 1.393 0 40 DDAB O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)C1CCC1 95449731 KSMQOIHJSBUYJZ-GXTWGEPZSA-N 301.346 1.242 0 40 DDAB Cn1cnn(CC(=O)N(c2ccccc2)C2CCCCC2)c1=O 97049314 PMPHRTKQRWZUIW-UHFFFAOYSA-N 314.389 1.948 0 40 DDAB NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)ccc1F 89107885 UCPHHJJRNBWXBF-JOYOIKCWSA-N 304.362 1.761 0 40 DDAB Cc1ccsc1[C@H](C)NCCS(=O)(=O)N1CCOCC1 89541039 KDRJICGWCADXME-LBPRGKRZSA-N 318.464 1.369 0 40 DDAB Cc1cccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1 178996167 BNQTYIVZFCZOJA-AWEZNQCLSA-N 317.414 1.947 0 40 DDAB Cn1ccc(CN2CC3(CC(=O)N(Cc4ccccc4)O3)C2)n1 1549167076 LOBLEIICOTWUGR-UHFFFAOYSA-N 312.373 1.339 0 40 DDAB COc1ccc(C(=O)NCC(C)(C)C)cc1S(N)(=O)=O 109151802 PCGIKYHIYYRESX-UHFFFAOYSA-N 300.380 1.119 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)/C=C/c1ccccc1 569715 BIXFTHVWKLNUDU-CMDGGOBGSA-N 316.390 1.610 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CC2)c1C 5326406 VFCJEDYQRDZHFR-JTQLQIEISA-N 322.361 1.632 0 40 DDAB Cc1ccc(NCC(=O)N2CCNC2=O)c(Br)c1 11623189 ROKWJHUUSUMUFU-UHFFFAOYSA-N 312.167 1.721 0 40 DDAB O=C(CN1C(=O)N2CCN=C2c2ccccc21)N1CCCCC1 12184971 SBLGBPYGEAQQFO-UHFFFAOYSA-N 312.373 1.701 0 40 DDAB CCCn1c(=O)c2[nH]c([C@@H]3CCC(=O)C3)nc2n(CCC)c1=O 6266 RUHGOZFOVBMWOO-SNVBAGLBSA-N 318.377 1.543 0 40 DDAB biogenic c1ccc2oc(N3CCN(Cc4nnc5n4CCC5)CC3)nc2c1 1888882297 XSSBQIUOMJRSGU-UHFFFAOYSA-N 324.388 1.688 0 40 DDAB Cc1cnc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(F)c1 1889128461 ZRVGZPAFZZRIAI-UHFFFAOYSA-N 323.349 1.107 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)CCO2 26162253 MPPMVXIVGXJGEZ-UHFFFAOYSA-N 314.341 1.669 0 40 DDAB NC(=O)CN1CCC(c2ccnc(Nc3ncccn3)c2)CC1 2037655577 GYAYIGFYXMNYJX-UHFFFAOYSA-N 312.377 1.280 0 40 DDAB CCOCC(=O)N1CCCC[C@H]1c1cc(O)n2nccc2n1 2037724036 TVURFBNKUZEKRE-LBPRGKRZSA-N 304.350 1.525 0 40 DDAB O=C(c1cnco1)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224279 UCXPHDZBQXGRAM-BETUJISGSA-N 313.361 1.453 0 40 DDAB CN(C)C(=O)c1nn(C)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2 1565552577 NTJDPTASVGDOIV-QGZVFWFLSA-N 316.405 1.711 0 40 DDAB O=C(N1CCCC1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 2055713331 BBUKVYCRBBWACS-OAHLLOKOSA-N 318.421 1.957 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)no1 206962834 QOTUSUSHKMOXQN-LLVKDONJSA-N 304.302 1.538 0 40 DDAB COc1ccccc1CC(=O)NCc1cn(-c2cccnc2)nn1 575414560 XBYCMHRBSRQIAA-UHFFFAOYSA-N 323.356 1.530 0 40 DDAB CCN=c1cc(C)nc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)[nH]1 2298183902 YJWFQMHLEKXLFK-HUUCEWRRSA-N 319.453 1.064 0 40 DDAB Cn1cccc1[C@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 75155052 ZDSWTOOTMJVTKF-DOMZBBRYSA-N 302.330 1.015 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]2CCC[C@@H]21 96437700 DBBOQMAWRNVZES-AVGNSLFASA-N 300.424 1.395 0 40 DDAB CC(=O)NC1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 50416511 RXUTZCMVKNEWKM-BDJLRTHQSA-N 318.373 1.342 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 20200931 KVVPTNITOZQRNL-VXGBXAGGSA-N 308.378 1.101 0 40 DDAB Cc1cc(NC(=O)CS(=O)(=O)Cc2ccccc2C)no1 40496765 OLOUEGJBTAQODO-UHFFFAOYSA-N 308.359 1.845 0 40 DDAB O=C(NCc1cnn(-c2ccccc2)c1)NC[C@H]1CCCO1 40539904 GDCOCWYFHWSQJE-OAHLLOKOSA-N 300.362 1.851 0 40 DDAB Cc1cc(NC(=O)Cn2cccn2)ccc1N1CCN(C)CC1 32495770 JPOABRMLJQHLBE-UHFFFAOYSA-N 313.405 1.582 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 32925000 OHUXCIWJNCNNHX-UHFFFAOYSA-N 304.371 1.724 0 40 DDAB Cc1csc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 102969371 IBBABMOZFFJQQE-GHMZBOCLSA-N 319.386 1.731 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)n(C)n1 41829712 IFVUKNMVZBNLOU-NSHDSACASA-N 302.334 1.565 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccncc1 103820763 QMUYNJBYZHOGKF-BETUJISGSA-N 301.346 1.585 0 40 DDAB O=C(NC[C@H]1Cc2ccccc2O1)c1ccnc(-n2cncn2)c1 53800614 UFZRLUFBFOVAOU-CQSZACIVSA-N 321.340 1.396 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCc2ccccc21 23886424 RDQAIIURTOPNJT-CQSZACIVSA-N 308.403 1.390 0 40 DDAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)NC(=O)CO2 47511993 SEFAUHXOYPQULH-VIFPVBQESA-N 313.313 1.197 0 40 DDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 488806 UFTQIECOROIOFO-LMOYCYGVSA-N 303.314 1.125 0 40 DDAB biogenic CN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@H]3O)cc2C1=O 77151369 LWRMFWGTXRZQNV-BXUZGUMPSA-N 316.357 1.193 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 23886818 HDNGTQKDRLJZQQ-AWEZNQCLSA-N 310.419 1.425 0 40 DDAB CCOc1ccc(NC(=O)Cn2ccccc2=O)cc1OC 24050406 XJTLNVWNKXQMRX-UHFFFAOYSA-N 302.330 1.894 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)Nc3nnc(C)s3)n2)o1 4568709 OYEWXBLVLJPGEF-UHFFFAOYSA-N 305.323 1.040 0 40 DDAB Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2N)cc1Cl 4984779 BLRXZOKWGKWPGS-UHFFFAOYSA-N 321.768 1.284 0 40 DDAB NC(=O)C(=O)[C@@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 6575146 LCKONQIIZYWIMG-OAHLLOKOSA-N 317.366 1.397 0 40 DDAB O=C1COc2ccc(C(=O)CSc3ncccn3)cc2N1 6913806 OPJJHLNESIMPGJ-UHFFFAOYSA-N 301.327 1.783 0 40 DDAB O=C1C[C@@H](c2ccccc2)N(CCCN2CCCC2=O)CCN1 71824774 SXYHNQKWVRLVHL-INIZCTEOSA-N 315.417 1.562 0 40 DDAB O=CN1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 10284835 IAAOMEXKMHUGSH-UHFFFAOYSA-N 301.390 1.197 0 40 DDAB CCCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C 71818676 LNZARLSRASAROR-UHFFFAOYSA-N 314.393 1.125 0 40 DDAB COc1ccc(COC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 25562497 NGEJZYVZVMATJU-LZWOXQAQSA-N 309.406 1.682 0 40 DDAB COCCNS(=O)(=O)c1cc(C)c(C)cc1Br 48044565 LMCQRXPEIDAMTF-UHFFFAOYSA-N 322.224 1.991 0 40 DDAB O=C(COc1cccc(-n2cncn2)c1)NC(C1CC1)C1CC1 72920901 LDDGAGJFBXZRKM-UHFFFAOYSA-N 312.373 1.951 0 40 DDAB CONC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 25826755 NZCYAYLONDMJAB-JTQLQIEISA-N 318.420 1.135 0 40 DDAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCNC(=O)C1 57802908 ALTCMJCGFBYRQN-UHFFFAOYSA-N 304.781 1.766 0 40 DDAB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)NC2)cn1 48286489 RXXRBYDHOFGXIQ-CYBMUJFWSA-N 304.394 1.070 0 40 DDAB CC[C@H]1CCCN(C(=O)Cn2nnc3ccccc3c2=O)C1 27152576 RKHKZLHDFRIMHA-LBPRGKRZSA-N 300.362 1.440 0 40 DDAB CCC[C@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 48221951 OAOMDDPUUBBKSE-NSHDSACASA-N 314.389 1.988 0 40 DDAB CCOc1ncccc1NC(=O)N1CCC(CNC(C)=O)CC1 48206267 CTRPKCAKYOZIFO-UHFFFAOYSA-N 320.393 1.860 0 40 DDAB Cc1ccccc1NC1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 95423245 JAQYYBMJXGKVMB-HZPDHXFCSA-N 324.446 1.029 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCO2 58215416 QZIWNFUUYHJZTM-SNVBAGLBSA-N 300.314 1.972 0 40 DDAB O=C(NCc1ccccn1)NC[C@@H](O)COc1cccc(F)c1 44955257 SFGVSIUXSLXNMU-CQSZACIVSA-N 319.336 1.460 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c3c(cccc13)CC2 10305782 AZQOLJQDSALDPU-CYBMUJFWSA-N 315.394 1.855 0 40 DDAB CCCNC(=O)CCNC(=O)[C@@H]1COc2cc(OC)ccc2C1 58327110 CAXVIIRZHJKXSO-ZDUSSCGKSA-N 320.389 1.279 0 40 DDAB Cc1ccc(N(CC(=O)NCC(=O)N2CCCC2)C(C)C)cc1 58420240 YTDXNMGJBYAYJW-UHFFFAOYSA-N 317.433 1.948 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](O)c1cccc(Cl)c1 48300924 PTGMEMYUVMXHFF-RISCZKNCSA-N 322.796 1.958 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 29200439 WTGBALFXHCSLBD-VIFPVBQESA-N 318.345 1.119 0 40 DDAB CNC(=O)NC(=O)CCN(C)Cc1nc2ccccc2s1 29964311 SJCJYAIXDZFMOH-UHFFFAOYSA-N 306.391 1.574 0 40 DDAB Cn1ncc(Br)c1C(=O)Nc1ccccc1C(N)=O 2747217 QZWVHRISQZUADM-UHFFFAOYSA-N 323.150 1.534 0 40 DDAB COC(=O)[C@](NC(C)=O)(Nc1ccc(OC)cc1)C(F)(F)F 12364203 NIUJJAWPJUAMLM-LBPRGKRZSA-N 320.267 1.675 0 40 DDAB COc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2C)c(OC)c1OC 62715980 NGSHHQFBVBUOOQ-JOYOIKCWSA-N 309.318 1.316 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c1C 8878517 MMYXOWKGFUXSBK-NSHDSACASA-N 317.345 1.443 0 40 DDAB O=C(CN1CCN(C(=S)NC2CC2)CC1)N1CCCCCC1 13685849 ZYYGMKSPRKFVKL-UHFFFAOYSA-N 324.494 1.044 0 40 DDAB O=C(CN1CCC(N2CCCCC2)CC1)NC[C@@H]1CCCO1 26439305 DGTFMJDHJBQXLU-INIZCTEOSA-N 309.454 1.232 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 71144572 QXSSYAKPSLINPN-SECBINFHSA-N 306.790 1.709 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 5293141 LAYDYHXZWJGMQV-UHFFFAOYSA-N 317.345 1.498 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)c3ccc(=O)n(C)n3)sc2C1 6590667 INIOPKCJMRPIHB-MRVPVSSYSA-N 304.375 1.614 0 40 DDAB CCCCN(C(=O)C1CCC1)c1c(N)n(CCC)c(=O)[nH]c1=O 5634397 WFWHLFXANSKRNB-UHFFFAOYSA-N 322.409 1.462 0 40 DDAB NC(=O)C1CCN(CC(=O)Nc2ccc(Cl)cc2F)CC1 6876169 LLTBQUGZNOTSOU-UHFFFAOYSA-N 313.760 1.615 0 40 DDAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 7070865 VZNQCSIJNNKJBW-INIZCTEOSA-N 307.357 1.773 0 40 DDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)N1CCCCCC1)C2 90168901 PSOCGQDETQQYMY-ZDUSSCGKSA-N 312.439 1.217 0 40 DDAB O=C(NCCNC(=O)c1cc2ccccc2o1)c1cccnc1 9485260 YHWXHAFFQDZIKU-UHFFFAOYSA-N 309.325 1.988 0 40 DDAB Cc1nsc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 81457461 BRIYDEQZQPQABM-UHFFFAOYSA-N 318.406 1.021 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 70038615 WVOJPTLXJKPUJB-ZDUSSCGKSA-N 319.405 1.009 0 40 DDAB c1coc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)c1 69376844 NDGFRIWAQAWFEN-LBPRGKRZSA-N 315.333 1.427 0 40 DDAB Cc1nc(N[C@@H](C)C(=O)N2CCCC[C@H]2C)c2cnn(C)c2n1 69453847 QBSPHEIZGOHXOG-MNOVXSKESA-N 316.409 1.873 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNCCCN(C)c1ccccn1 69417271 WSILXIIJUCFYIC-UHFFFAOYSA-N 316.453 1.806 0 40 DDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc2c(cnn2C)c1=O 17180126 KNSJRWLVEJMMGI-LLVKDONJSA-N 323.356 1.108 0 40 DDAB CN(C)c1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cn1 69664196 WIYGYNKKFFYFGH-UHFFFAOYSA-N 317.374 1.825 0 40 DDAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 69769739 WQKNLOWISYPLTJ-UHFFFAOYSA-N 324.314 1.520 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)NCc2ccccc2)n[nH]1 8611082 RKCMXOKZTWTSAR-UHFFFAOYSA-N 309.347 1.065 0 40 DDAB CNC(=O)[C@H](C)NC(=O)Nc1cccc(Oc2ncccn2)c1 71818881 FODKVSZKEAVYSX-JTQLQIEISA-N 315.333 1.525 0 40 DDAB CNC(=O)COC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 69974326 OOZRADTUYLEKHQ-HNNXBMFYSA-N 304.390 1.639 0 40 DDAB Cc1cc(C)n(C2CN(CC(=O)Nc3ccnn3C(C)C)C2)n1 71880624 LLZJBOJBAYGHFA-UHFFFAOYSA-N 316.409 1.773 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1 97134094 UEEMOYJEHNWVCS-SNPRPXQTSA-N 322.430 1.754 0 40 DDAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1csnn1 87502362 UCZXJDZPRYZBEU-MRVPVSSYSA-N 310.329 1.825 0 40 DDAB CN(C)C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 95955676 CYYXNQQEGRJKKQ-OAHLLOKOSA-N 314.389 1.810 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1c1ncnc2cc(F)c(F)cc12 95961958 CFQUCUIYVVGPTJ-IUCAKERBSA-N 306.316 1.998 0 40 DDAB CC(=O)N(C)CC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984647 RTSUDVDWKUMPFJ-ZFWWWQNUSA-N 310.781 1.765 0 40 DDAB CC(C)COc1cncc(NC[C@@H](c2cnn(C)c2)N(C)C)n1 86184687 MUZSDJCFHVFLTM-AWEZNQCLSA-N 318.425 1.960 0 40 DDAB C[C@@H]1CCC[C@H](CO)N1C(=O)CCNC(=O)OC(C)(C)C 89927455 QCMKHKSDMNTHSL-VXGBXAGGSA-N 300.399 1.663 0 40 DDAB O=C1OCC[C@H]1N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76059650 ZANVDONXNAAVKL-WCBMZHEXSA-N 303.284 1.923 0 40 DDAB O=C(C1CCC1)N1CC2(C1)OCC[C@H]2COc1ccccn1 306126252 DQWFNIANCIONDK-AWEZNQCLSA-N 302.374 1.878 0 40 DDAB CC(C)N1C[C@@H]2[C@H](C1)[C@H](OCc1cccnc1)CCS2(=O)=O 306127722 GFOKYEMGPMGZIB-BZUAXINKSA-N 324.446 1.494 0 40 DDAB COc1ccc2[nH]c(C(=O)NCCc3nc(N)n[nH]3)c(C)c2c1 534666905 ZODSKDPKKRJFSH-UHFFFAOYSA-N 314.349 1.158 0 40 DDAB CCN(Cc1cn2cccc(C(=O)OC)c2n1)C[C@@H]1CCOC1 69844658 MFMRKQXPMSXQRC-ZDUSSCGKSA-N 317.389 1.979 0 40 DDAB CN1C[C@H](c2cc(=O)[nH]c(NCc3cccs3)n2)CC1=O 72391138 VHTQSSCROXMLSG-SECBINFHSA-N 304.375 1.389 0 40 DDAB COc1c2c(c(NC(=O)C3CC3)c3c1OCO3)CCN(C)C2 32123898 UVPQVUFWCSSPDY-UHFFFAOYSA-N 304.346 1.760 0 40 DDAB biogenic CCN(CC)S(=O)(=O)c1ccc(OC)c(C(N)=S)c1 218302588 LHTDIRZKBIZXIY-UHFFFAOYSA-N 302.421 1.360 0 40 DDAB CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 563238191 QXHAQNSWVVYUSU-MRXNPFEDSA-N 315.417 1.617 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)[C@@H]2COc3ccccc3O2)o1 49026790 RNKNNFGYVKSDRU-NHYWBVRUSA-N 303.314 1.578 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 74051910 GZMPJFPYHAGWGT-UKRRQHHQSA-N 304.390 1.719 0 40 DDAB OC[C@@H]1CCC2(CCOCC2)CN1C[C@H](O)Cc1ccccc1 528645085 MZHRJGGDFBNWGZ-ZWKOTPCHSA-N 319.445 1.844 0 40 DDAB C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCc1cc(F)ccc1F 193896184 MASNMAWFWNMKHN-ZANVPECISA-N 311.332 1.331 0 40 DDAB O=C(CNC(=O)c1c[nH]c2ccccc12)NC[C@@H]1CCCO1 49027763 NMVNXSQGYYQQLQ-NSHDSACASA-N 301.346 1.193 0 40 DDAB CC(C)C(=O)Nc1cc(C(=O)NCc2ccccc2)nn1C 46089061 FWDCGYFURJVKMM-UHFFFAOYSA-N 300.362 1.945 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H](O)c1ccco1 96025962 PENNMHVIPDBOKO-LLVKDONJSA-N 313.379 1.032 0 40 DDAB Cc1ccc(CN2CCO[C@@]3(COCCN(C(C)C)C3)C2)o1 96049725 PXVBFGQOBVRVSE-KRWDZBQOSA-N 308.422 1.900 0 40 DDAB O=C(c1cnc(O)c(Cl)c1)N1CC(Oc2cccnc2)C1 238952909 XIBDONSUHYDIAY-UHFFFAOYSA-N 305.721 1.739 0 40 DDAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nnn(C)c21 96060610 LVKINPYJLRLNRL-CYBMUJFWSA-N 302.378 1.570 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223277 JPKBPUGMDZUSGE-IUODEOHRSA-N 323.372 1.333 0 40 DDAB COc1cc(C[C@H]2COc3c(cccc3OC)C2)nc(N)n1 95372515 PLAQTNVKOHEIRS-JTQLQIEISA-N 301.346 1.870 0 40 DDAB CN(C)C(=O)CN1CCCn2cnc(Cn3cccc3)c2C1 96259455 JMDZFKYWENSRMA-UHFFFAOYSA-N 301.394 1.027 0 40 DDAB Cc1nn(C)cc1[C@H](C)NC(=O)NCC[S@](=O)C(C)(C)C 96408863 VJSFJJBMACVCOK-CHNSCGDPSA-N 314.455 1.636 0 40 DDAB CN(C)C(=O)N1Cc2c(cnn2C)[C@H](COc2cccnc2)C1 96044670 PEUXZOMMCLSKCC-LBPRGKRZSA-N 315.377 1.475 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 96047004 NXBRMDMDKJJSQR-MRXNPFEDSA-N 305.426 1.390 0 40 DDAB CN1CC[C@@H](CN(C)C(=O)c2cc(OCC(F)F)ccn2)C1 96496494 KRQZMCHHAOUBDU-LLVKDONJSA-N 313.348 1.749 0 40 DDAB Cc1nccc([C@H]2C[C@@H]3CCN(C(=O)CN(C)C)C[C@H]3O2)n1 96046171 WVDAMFGGTUCHDM-NWANDNLSSA-N 304.394 1.025 0 40 DDAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)N1CCC1 96113046 OYGSGWMPOAETEI-LSDHHAIUSA-N 319.380 1.310 0 40 DDAB biogenic,in-vitro COc1ccc(-c2ncc(C(=O)NCC[S@](C)=O)s2)cc1 96430943 IAKLYDLFYRBCGM-OAQYLSRUSA-N 324.427 1.927 0 40 DDAB CCn1c(CN2C[C@@H](O)C[C@H]2C(=O)OC)nc2c(F)cccc21 248911504 NCEGSKUWZKUMEE-GWCFXTLKSA-N 321.352 1.304 0 40 DDAB Cc1cc(=O)c(OCC(=O)NCCc2ccc(O)cc2)cn1C 524732730 XPYDVOHURYQAOX-UHFFFAOYSA-N 316.357 1.137 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)c3ccc4c(c3)CCC4)CC[C@@H]2N1 257213804 CJDOBIPNHFATBH-HOTGVXAUSA-N 314.385 1.295 0 40 DDAB CC(=O)N[C@@H]1CCOC2(CCN(c3ccnc(C)n3)CC2)C1 257292908 QNLGXTIIAURKFY-CQSZACIVSA-N 304.394 1.439 0 40 DDAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC(CC(=O)O)CC2)n1 257262653 LMFXSWROPFRIKF-NSHDSACASA-N 307.394 1.849 0 40 DDAB NS(=O)(=O)CC1CCN(c2ccnc3ccncc23)CC1 267166767 BCBNYMYTCDVEOP-UHFFFAOYSA-N 306.391 1.135 0 40 DDAB Cn1ncc2c(NC3CCN(C(=O)C(C)(C)C)CC3)ncnc21 52218446 CNZJZRIYDSAQGX-UHFFFAOYSA-N 316.409 1.812 0 40 DDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575421561 JBNHYZFPLGGJTA-CYBMUJFWSA-N 317.432 1.274 0 40 DDAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)cc1 585104529 PAXUWYYUFDJBGR-QGZVFWFLSA-N 304.390 1.376 0 40 DDAB COCCc1cnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@@H]2C 585098708 XQUMVUCGGSMPAN-YPMHNXCESA-N 309.435 1.871 0 40 DDAB NC[C@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12 44556258 SZWUJQREWWHWKV-CYBMUJFWSA-N 305.403 1.737 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)N[C@H]2CCc3c(Cl)cccc32)C1 56902410 RPQLVDMDDRQRHS-ZANVPECISA-N 307.781 1.844 0 40 DDAB O=C(CCN1CCO[C@H](c2ccccc2)C1)N1CCOCC1 84525605 HFUUFTIRFMBGMY-INIZCTEOSA-N 304.390 1.309 0 40 DDAB CCc1nocc1CN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 515012756 OXIMATDKRREDCJ-SNVBAGLBSA-N 303.366 1.129 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2[nH]1 5278246 HMIHREUESYCKIF-UHFFFAOYSA-N 315.354 1.608 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 15230627 JZALDRSJBDZOLU-LBPRGKRZSA-N 323.370 1.221 0 40 DDAB CNC(=O)[C@@]1(C)CCCN(C(=O)c2cnn3cc(C)cnc23)C1 19746656 BVQBGWNBNAITPV-INIZCTEOSA-N 315.377 1.026 0 40 DDAB CC(C)n1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 19818772 PNMBRMPDBYRSMP-UHFFFAOYSA-N 301.346 1.821 0 40 DDAB C[C@@H]1OCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C 158949039 KIKZHRACJSFHQR-ZOBUZTSGSA-N 319.449 1.515 0 40 DDAB Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)nn1 562729006 VADPXEFZZVLXMC-INIZCTEOSA-N 324.384 1.358 0 40 DDAB CCN(CC)CCNC[C@@H]1c2cc(O)c(OC)cc2CCN1C 22026998 RIEVIAZFKJDEBZ-MRXNPFEDSA-N 321.465 1.861 0 40 DDAB CC(=O)NCC(=O)N1CCC(Oc2ccncc2Cl)CC1 390826656 OFJFLKMJBGOSRO-UHFFFAOYSA-N 311.769 1.241 0 40 DDAB C[C@H](Sc1nc2ncccn2n1)C(=O)NCc1cccs1 10078168 OCBXLYNFXJNEPV-VIFPVBQESA-N 319.415 1.983 0 40 DDAB Cc1cn([C@@H]2CN(C3CCCC3)CC[C@@]2(C)O)c(=O)nc1O 2037849963 WYPJUVHMEQBIGY-CZUORRHYSA-N 307.394 1.198 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(Cl)cc1 97960662 PBUYQTDJOVHRFO-LLVKDONJSA-N 322.748 1.862 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nc2ccccn2c1C 1614934228 OJJLWTCEFWDESP-WOSRLPQWSA-N 315.373 1.661 0 40 DDAB O=C(CSc1ncccc1C(=O)O)NC(=O)c1ccccc1 138061 ARYUECVUHHQTQJ-UHFFFAOYSA-N 316.338 1.829 0 40 DDAB COc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1 27931668 IFXMQGRABNUEAZ-UHFFFAOYSA-N 301.349 1.356 0 40 DDAB O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1 585602451 BNKMKKDCWAXGFB-UHFFFAOYSA-N 303.406 1.358 0 40 DDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](N2CCOC2=O)C1 618256424 HYFUTWQWPQFMLS-GFCCVEGCSA-N 318.329 1.011 0 40 DDAB COc1ccccc1C1(C(=O)N2CC(Nc3ccncn3)C2)CC1 618256444 RQPAOCYRQYZJOH-UHFFFAOYSA-N 324.384 1.840 0 40 DDAB COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccn2)c1 356957142 WIJVFXFLCIGRKP-UHFFFAOYSA-N 322.342 1.678 0 40 DDAB O=C(O)[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1ccc(F)cc1 12188752 OAAHMPMZTCPTAQ-TZMCWYRMSA-N 315.304 1.904 0 40 DDAB CC/C(NC1CC1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 101033607 ZCMVEWJQSLFRDY-OUKQBFOZSA-N 305.378 1.814 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 40510922 BBYHBJAGEIIHKT-OLZOCXBDSA-N 300.424 1.273 0 40 DDAB COc1ccc([C@@H]2SCCN2S(C)(=O)=O)cc1OC 250025 ZSOCUVIAVDAEIN-LBPRGKRZSA-N 303.405 1.711 0 40 DDAB COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1 507601 MXHGRGVULPJGRE-UHFFFAOYSA-N 323.146 1.841 0 40 DDAB CN(C)CC(C)(C)CNC(=O)c1ccc2c(c1)NC(=O)CO2 53273016 IRUYGZNSOKAYJS-UHFFFAOYSA-N 305.378 1.335 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc2c(c1)OCO2 195111 KUDRBJCDTCKBDK-ZDUSSCGKSA-N 304.302 1.558 0 40 DDAB C[C@@H](NC(=O)c1cc[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 78153090 VGQDZNSCFCJIHO-CJNGLKHVSA-N 314.389 1.429 0 40 DDAB Cc1ccccc1OC[C@H](O)Cn1nc2c(cc1=O)CCC2 78869921 XNFYVMSUACSXAY-CQSZACIVSA-N 300.358 1.480 0 40 DDAB Cc1noc(Cl)c1CCC(=O)OC[C@H]1CCCN1C(N)=O 78803622 NLGZZVQNKWBOPI-SECBINFHSA-N 315.757 1.655 0 40 DDAB O=C(O)CCCCCNC(=O)Cn1cnc2ccccc2c1=O 2328599 WWNBXUIWSKHGIO-UHFFFAOYSA-N 317.345 1.158 0 40 DDAB COC(=O)[C@@H](Cn1cnc2ccccc21)[C@@H](O)c1ccncc1 12537014 FCPHRZKTXCJTOR-BBRMVZONSA-N 311.341 1.954 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 95392674 CWSSDGRLEYZUSZ-CABCVRRESA-N 301.390 1.512 0 40 DDAB CCNC(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 95998856 AEVNNGGNNZKGKT-LBPRGKRZSA-N 302.334 1.839 0 40 DDAB COC(=O)c1ccccc1N1C(=O)c2ccccc2S1(=O)=O 6441078 TVFCYLYKRBBQHZ-UHFFFAOYSA-N 317.322 1.822 0 40 DDAB Cc1sc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1 6679703 GCFLRBHKRQWSFJ-UHFFFAOYSA-N 316.448 1.979 0 40 DDAB COC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 7814146 MAPKMCGDVVADFU-JTQLQIEISA-N 306.391 1.715 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cn1cncn1 57464381 ZZJNHFAOWNLZFL-UHFFFAOYSA-N 324.388 1.739 0 40 DDAB Cc1nn(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 57280025 MWEVGTRRKUODHI-LBPRGKRZSA-N 321.402 1.038 0 40 DDAB CCCCS(=O)(=O)NCCCn1ncc2c1c(C)nn2C 57279049 APAZYJFOSHTEAE-UHFFFAOYSA-N 313.427 1.188 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58193054 ICBDDKAUZOTLJQ-INIZCTEOSA-N 321.352 1.507 0 40 DDAB O=C(Nc1ccn(Cc2cccnc2)n1)c1ccc2[nH]nnc2c1 58227151 BXEKGJILHUNWLX-UHFFFAOYSA-N 319.328 1.850 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)c2cc3c(s2)CCC3)CC1 48236257 FEHYTNKPHWDLTC-CYBMUJFWSA-N 321.490 1.993 0 40 DDAB COc1ccc([C@H]2CCN(S(=O)(=O)c3cnn(C)c3)C2)cc1 58267826 HOAHDTCWXMFXLF-ZDUSSCGKSA-N 321.402 1.607 0 40 DDAB CCn1cnnc1CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 48252297 KCRKAMJONLHASO-UHFFFAOYSA-N 314.324 1.757 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(-c2ccccn2)noc1=O 58313677 FOTKCYGOEWAURC-RYUDHWBXSA-N 316.361 1.688 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC(CNC(C)=O)CC1 58379846 IFPCOSHCGNSNDK-INIZCTEOSA-N 322.380 1.888 0 40 DDAB CN1C(=O)NC(=O)[C@H](C2CCN(Cc3ccccc3)CC2)C1=O 103720854 ADGQWITULURKMK-AWEZNQCLSA-N 315.373 1.223 0 40 DDAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc[nH]n1 23140653 JUKSEKMHUGKEOS-UHFFFAOYSA-N 309.329 1.717 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2ccc(C)cc21 73172326 FEEYPDTWLJWUTP-UHFFFAOYSA-N 310.419 1.556 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 95424102 YRTRKRIRCSHARC-LLVKDONJSA-N 317.320 1.948 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101690147 RPVUQQKYFIJTBV-AVGNSLFASA-N 309.369 1.794 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)C1CCN(C(N)=O)CC1 48304231 YMIUZQGGXZNPMN-UHFFFAOYSA-N 320.393 1.276 0 40 DDAB Cc1cccc(CNC(=O)NCCNC(=O)c2ccco2)c1 45662632 ZAPSGOLWPQVYAN-UHFFFAOYSA-N 301.346 1.817 0 40 DDAB COCCN1CCCC2(CCN(C(=O)c3ccno3)CC2)C1=O 108533542 AJTXCUFMYVXHAY-UHFFFAOYSA-N 321.377 1.166 0 40 DDAB O=S(=O)(c1cccs1)N1CCN(c2cnccn2)CC1 3448104 QNCINRODBBIUCC-UHFFFAOYSA-N 310.404 1.049 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 12984624 ASSYVXKOJBFSMK-GOEBONIOSA-N 315.417 1.734 0 40 DDAB S=C(NCCCN1CCOCC1)N1CCc2ccccc2C1 38252382 GCSFNGBCDNFNDK-UHFFFAOYSA-N 319.474 1.642 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)c1nccnc1N 13012807 FJKMNRSMRLXKFS-UHFFFAOYSA-N 318.333 1.015 0 40 DDAB NC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 63987827 VXZMXUPBRGJBAT-UHFFFAOYSA-N 315.304 1.293 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCS(=O)(=O)C1 5177430 JWGQFEPNEMSYHO-AWEZNQCLSA-N 319.382 1.522 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N2CCCCCCC2)C1=O 9364017 RKBWKGYOQUQBRN-CYBMUJFWSA-N 309.410 1.746 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)N1 65437614 QIKDEHRWGBSHGR-CHWSQXEVSA-N 305.378 1.201 0 40 DDAB Cc1cccn(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1=O 65566582 QRUCXKHROHSZTD-UHFFFAOYSA-N 313.357 1.497 0 40 DDAB CCN(CC)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 65609973 MNOFEYACDCWOAV-UHFFFAOYSA-N 324.446 1.399 0 40 DDAB CCOCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 6594097 XBBSRHFLGFRRFM-UHFFFAOYSA-N 314.407 1.692 0 40 DDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 4975913 XTRPJXMDZNKFGH-VIFPVBQESA-N 324.406 1.414 0 40 DDAB COc1ccc(CNCCCSc2nnnn2C)c(OC)c1 4993825 HUQVHIIPPAIQOW-UHFFFAOYSA-N 323.422 1.499 0 40 DDAB CC(C)OCc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 9515082 GMVBTAGTKZHCLM-OAHLLOKOSA-N 304.390 1.949 0 40 DDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1csc(-c2ccsc2)n1 71850388 OXXBWMHZKSBWOQ-ZETCQYMHSA-N 316.429 1.660 0 40 DDAB Cc1ccc2nc(COc3cccc(C(N)=O)c3)cc(=O)n2c1 69153648 ODZCBTMXAFLFIO-UHFFFAOYSA-N 309.325 1.681 0 40 DDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc2ccccc2[nH]c1=O 71904638 XBNOSRJCCYNFDQ-NWDGAFQWSA-N 322.430 1.782 0 40 DDAB COC(=O)[C@H]1CCCN1CC(=O)N(C)[C@@H](C)c1cccs1 71907755 CYXLJTFOFQSLPI-NWDGAFQWSA-N 310.419 1.905 0 40 DDAB O=C(CCn1c(=O)oc2ccccc21)OCC(=O)c1ccc[nH]1 17600162 WSGUTLDLTGAPKW-UHFFFAOYSA-N 314.297 1.739 0 40 DDAB C[C@H](NC(=O)N1CCC[C@@H](O)C1)C(=O)N1CCc2ccccc21 69742288 UJJJMENKLREVFC-GXTWGEPZSA-N 317.389 1.131 0 40 DDAB Cc1ccc(N2CCC[C@@H](Nc3ncnc4c3cnn4C)C2)nn1 69925691 ZWKQOUBSAGBYLH-GFCCVEGCSA-N 324.392 1.543 0 40 DDAB NC(=O)c1cccc(C(=O)N2CCCC[C@H]2Cn2cccn2)c1 69950796 OHCHQGOIOMZTDA-HNNXBMFYSA-N 312.373 1.677 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)c1 71185780 SAEJLXBNSGRLTP-OAHLLOKOSA-N 315.421 1.948 0 40 DDAB Cn1cc([C@](C)(O)CNC(=O)C(C)(C)c2cccs2)cn1 75093445 ONDTYTGXXNPJJH-OAHLLOKOSA-N 307.419 1.783 0 40 DDAB CC(C)c1nc([C@H]2CCCN(c3ccc4nnnn4n3)C2)no1 72279256 FUTFUAPVHASLMN-JTQLQIEISA-N 314.353 1.410 0 40 DDAB Nc1nc(N2CC[C@@H](COCc3ccccc3)C2)c2nc[nH]c2n1 97115356 QCKCZUAPECJUMS-CYBMUJFWSA-N 324.388 1.978 0 40 DDAB CCn1cc(C2CCN(CCC(=O)N3CCOCC3)CC2)cn1 97203290 WLPJIWNZGNZOFY-UHFFFAOYSA-N 320.437 1.331 0 40 DDAB CN(C)c1ncnc2c1CN(C[C@H](O)c1ccccc1F)CC2 97202585 FCVDBUVRDFHHNR-INIZCTEOSA-N 316.380 1.773 0 40 DDAB COCc1cccc(C(=O)NC2(CC(=O)O)CCOCC2)c1 95970224 SPTQMXGVCMIGJS-UHFFFAOYSA-N 307.346 1.587 0 40 DDAB COC(=O)CCS[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 95351703 SMLQFNBAIXMNIK-GFCCVEGCSA-N 307.371 1.923 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@@H]1c1cccc(F)c1 89774962 HWUJTGUSUBLNKB-XHSDSOJGSA-N 307.365 1.833 0 40 DDAB CCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)CC1 89977286 HWQSVPMTLDZXLM-HKZYLEAXSA-N 315.483 1.413 0 40 DDAB CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1 76058665 BVFHMYIINSAVTH-RDBSUJKOSA-N 304.456 1.204 0 40 DDAB CNC(=O)CC1CCN(C(=O)NCc2cc(C(C)C)no2)CC1 76092953 QSTYLNWGDIQDGD-UHFFFAOYSA-N 322.409 1.856 0 40 DDAB CC(C)N(C)S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 76060698 WZEZSERLWKZDIL-UHFFFAOYSA-N 308.407 1.928 0 40 DDAB COc1cc(N[C@H]2CCCN(C(=O)c3ccco3)C2)ncn1 65369750 MTSVGEXWOUHHTQ-NSHDSACASA-N 302.334 1.795 0 40 DDAB Cc1ccsc1CN1C[C@H]2OC[C@@H](CNC(=O)N(C)C)[C@H]2C1 306137598 RAWTUAOFOSHJEU-MGPQQGTHSA-N 323.462 1.775 0 40 DDAB C[C@H](N)CN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 65090403 DVJDRWJKRNANKC-XHDPSFHLSA-N 315.373 1.558 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCOC2)nc1 516967972 XHVOKTSCVKVXCT-TZMCWYRMSA-N 310.419 1.881 0 40 DDAB Cc1cccc([C@@H](C)N2CCC[C@H](CNS(N)(=O)=O)C2)c1 75718586 LBPNVVDPCXPRIV-ZIAGYGMSSA-N 311.451 1.561 0 40 DDAB CC(C)N(C)CC(=O)N(Cc1cccnc1)C[C@H]1CCCO1 79050412 SQCKIPQNJBJXTO-MRXNPFEDSA-N 305.422 1.929 0 40 DDAB C[C@H]1C[C@@H](O)CCN1C(=O)c1cnn(-c2ccccc2F)c1 561816107 GOOLSSBWLGPQQX-AAEUAGOBSA-N 303.337 1.997 0 40 DDAB COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 127721812 PMQQKIBTRKVRHJ-CABCVRRESA-N 318.417 1.886 0 40 DDAB Cc1cc(N2CCN(C=O)CC2)ncc1[C@H](O)c1ccccc1 72223683 WRNPIBRRXXHYEI-GOSISDBHSA-N 311.385 1.750 0 40 DDAB Cn1c(O)nc2ccc(C(=O)N3CC[C@]4(CCCNC4)C3)cc21 564994858 LVSYZJVNRRXWHQ-KRWDZBQOSA-N 314.389 1.495 0 40 DDAB CCN(Cc1cn2cccc(C(=O)OC)c2n1)C[C@H]1CCOC1 69844660 MFMRKQXPMSXQRC-CYBMUJFWSA-N 317.389 1.979 0 40 DDAB Cc1nc(COc2ccc(Cl)cc2)[nH]c(=O)c1CC(=O)O 49468697 SBGRLDCAKSEZQZ-UHFFFAOYSA-N 308.721 1.938 0 40 DDAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cnccn1 44226073 RPMMLZOGIPZTFC-ONGXEEELSA-N 320.374 1.213 0 40 DDAB COc1cc(C)n(CCNC(=O)c2cc(C)oc2C)c(=O)c1 225614252 WJHGKWYOUORYQR-UHFFFAOYSA-N 304.346 1.805 0 40 DDAB CC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225591928 TYAHCEPOPYTMEW-UHFFFAOYSA-N 320.389 1.909 0 40 DDAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 222745547 FVPNTMOHKSBIIF-BBRMVZONSA-N 304.390 1.719 0 40 DDAB CC1(C)CN(CCNS(=O)(=O)c2ccccc2F)CCO1 195571871 ZDGBCBDBWYGGIQ-UHFFFAOYSA-N 316.398 1.215 0 40 DDAB CCCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1F 225402463 RNMPJUPDUPMRHP-LSDHHAIUSA-N 321.396 1.603 0 40 DDAB biogenic,in-vitro C[C@H](CNC(=O)c1ccc(Cl)cc1F)N1CCN(C)CC1 96403438 JNBXILVBKVEPAS-LLVKDONJSA-N 313.804 1.845 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)N2CCCC2)cn1 96056633 XHYIZMGAHXAJLU-ZIAGYGMSSA-N 317.393 1.206 0 40 DDAB C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1c(F)cccc1F 97095152 ABGOTYSKSOITDU-WDEREUQCSA-N 314.332 1.646 0 40 DDAB Cn1nccc1C(=O)N1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1 96206823 QOLMMWKXGPTZRE-RHSMWYFYSA-N 318.421 1.280 0 40 DDAB COCCC(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 96080913 BCXYHFVAFWHJJA-GASCZTMLSA-N 306.381 1.752 0 40 DDAB C[C@@H]1CCCc2ccccc2[C@@H]1NS(=O)(=O)c1cnnn1C 330049124 KNRTVOHCMJYQBP-IAQYHMDHSA-N 320.418 1.807 0 40 DDAB O=C(c1ccncc1)N1C[C@@H]2COC[C@]2(COCC2CCC2)C1 96207901 SDAWKXRCZPOCIK-SJLPKXTDSA-N 316.401 1.987 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)N1CCCC1)C2 96061793 ILZFIGKRCLXFJN-UHFFFAOYSA-N 305.426 1.755 0 40 DDAB CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(COCC2CC2)C1 96109185 GIUABSDLDPHYCE-KGLIPLIRSA-N 302.440 1.322 0 40 DDAB NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl 97380096 LYHHHPDTAZMDDE-XCBNKYQSSA-N 320.773 1.411 0 40 DDAB C[C@](Br)([C@H](O)c1ccc(N)cc1)S(C)(=O)=O 96521224 XINQKLGZTGJKMZ-NXEZZACHSA-N 308.197 1.458 0 40 DDAB CO[C@H]1CCN(C(=O)Cc2ccccc2)[C@H]1Cc1cnn(C)c1 96069958 KFSPXPQGGORAEW-IRXDYDNUSA-N 313.401 1.821 0 40 DDAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 96064421 ORPYOOZNAKKONO-ILXRZTDVSA-N 314.389 1.711 0 40 DDAB C[C@@H](OC1CCCCCC1)C(=O)NCCCc1n[nH]c(=O)[nH]1 96474056 LACQHHFIQHSXHI-LLVKDONJSA-N 310.398 1.275 0 40 DDAB O=C(c1cc(F)ccc1F)N1CCO[C@H](c2cnccn2)C1 257299123 ROVFTIAZUAXPMP-AWEZNQCLSA-N 305.284 1.969 0 40 DDAB O=C(CC1(O)CCCCC1)N1CCC[C@H](c2ccnc(O)n2)C1 257316345 VFECYGKJYFVDLV-ZDUSSCGKSA-N 319.405 1.974 0 40 DDAB CNC(=O)c1cn[nH]c1C1(C)CCN(Cc2c[nH]cn2)CC1 257210349 BUFJRUZJMDMWSB-UHFFFAOYSA-N 302.382 1.046 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(C(=O)Cn3cccn3)CC[C@H]21 257293866 QRMZMYQCDGRSIF-LSDHHAIUSA-N 304.394 1.133 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)CC(=O)NC1CC1 63665591 FUDMJMJFFSJZIQ-UHFFFAOYSA-N 313.357 1.396 0 40 DDAB CCOc1ccc(CNC(=O)C(=O)NCCCOC(C)C)cc1 298131616 YFVZAKJVRYPNIU-UHFFFAOYSA-N 322.405 1.633 0 40 DDAB O=C(O)CC1(NC(=O)c2cc(F)c(O)c(F)c2)CCOCC1 663122920 PVCAXVHAOCEQHI-UHFFFAOYSA-N 315.272 1.424 0 40 DDAB CC[C@@H](C)NC(=O)c1cnc(I)c(O)c1 585141317 TVXCNTAXDRTURQ-ZCFIWIBFSA-N 320.130 1.920 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccco2)C1 27397474 UDLABYIYMNWESH-QWHCGFSZSA-N 306.362 1.427 0 40 DDAB COC(=O)CN(C)C(=O)CCN(C)Cc1ccc(Cl)cc1 69972250 RHIOEGQKRBNZDR-UHFFFAOYSA-N 312.797 1.793 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(CCC(C)C)C2CC2)o1 69377475 BUHOLRKEQZFFPZ-UHFFFAOYSA-N 314.407 1.838 0 40 DDAB CC[C@@H]1CN(C(=O)NCc2nnc3n2CCCCC3)CCO1 44966663 ZQIQKWYIHUZQKU-GFCCVEGCSA-N 307.398 1.325 0 40 DDAB O=C(NCc1ccnc(-n2cccn2)c1)N1CCSCC1 44968700 NYNOZSBTCDYRGI-UHFFFAOYSA-N 303.391 1.526 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 48345279 YUWYTFGWNPONNG-TUKIKUTGSA-N 300.362 1.229 0 40 DDAB Cc1cnn(CCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 75121653 RBTREJWYYJFNIX-UHFFFAOYSA-N 314.267 1.927 0 40 DDAB Cc1ccccc1-c1cc(NC(=O)[C@@H]2COCCO2)n(C)n1 76092800 QYZOAXWSKAZCED-AWEZNQCLSA-N 301.346 1.749 0 40 DDAB Cc1ccc(-c2nnc(SCc3nn(C)c(=O)[nH]3)o2)cc1 95997518 CFTVPLXSGFOZFJ-UHFFFAOYSA-N 303.347 1.759 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1noc2c1CCCCC2 97165944 ITUGSTFXTFYROV-GFCCVEGCSA-N 305.378 1.636 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1cccc(CS(C)(=O)=O)c1 42367603 QMAJECBVFXLWDM-LBPRGKRZSA-N 321.402 1.246 0 40 DDAB O=C1OC2(CCNCC2)[C@@H]2CN(Cc3ccccc3)CCN12 1549163013 ZKAUQNGMSKNRSX-HNNXBMFYSA-N 301.390 1.445 0 40 DDAB O=S(=O)(NC(=S)N1CCOCC1)c1ccc(Cl)cc1 5375794 RFVQELNSRUCYTM-UHFFFAOYSA-N 320.823 1.235 0 40 DDAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)O 5633419 QHOIHUPHVHZHBO-GFCCVEGCSA-N 312.753 1.295 0 40 DDAB CCS(=O)(=O)N1CC=C[C@H]1C(=O)Nc1ccc(OC)cc1 13566183 QJPLWFSWLFIEFI-ZDUSSCGKSA-N 310.375 1.224 0 40 DDAB COC(=O)c1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1 15082049 SCSSXIZIZGDMIQ-VIFPVBQESA-N 303.343 1.986 0 40 DDAB O=C(CN1CCNC1=S)Nc1cccc(C(F)(F)F)c1 16768856 QLOZPVBODJRIOP-UHFFFAOYSA-N 303.309 1.834 0 40 DDAB Cc1cnc2c(C(=O)N[C@H](C)Cn3nc(C)cc3C)cnn2c1 19573747 LHZMSYHWEZJQQX-GFCCVEGCSA-N 312.377 1.670 0 40 DDAB Cc1nc(-c2cncnc2[C@@H]2CCN(C(=O)C(C)C)C2)no1 19693886 WZQNPWVLBCSMLD-LLVKDONJSA-N 301.350 1.807 0 40 DDAB O=C(C1CC1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147081 DBRDRBAZKMBMBC-SNVBAGLBSA-N 312.167 1.629 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)COCc1cccc(OC)c1 36397724 YMACHGYQEOYGSU-OAHLLOKOSA-N 306.406 1.812 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2cccc(C(F)(F)F)n2)CCO1 1889068346 KUTSPFGGNPISNN-SNVBAGLBSA-N 315.295 1.584 0 40 DDAB Cc1nc(CC(=O)OCC(=O)NCCc2cccs2)cs1 23327216 WEKSRCPXNRHTNY-UHFFFAOYSA-N 324.427 1.958 0 40 DDAB Cc1ocnc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984801 OHTZBQZTXFICKA-MRXNPFEDSA-N 321.377 1.083 0 40 DDAB CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@@H]2CC1 1270760809 NNRSKZFJAFHLGQ-QLFBSQMISA-N 321.465 1.291 0 40 DDAB Cc1cccn2c(=O)c(C(=O)NCc3ccccc3)c(O)nc12 9830125 OXXGXPOPKWRTCV-UHFFFAOYSA-N 309.325 1.639 0 40 DDAB C[C@H]1CCCCN1CCn1c(S)nc2ncccc2c1=O 20618244 NQDIGCNMTDLFPU-NSHDSACASA-N 304.419 1.955 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)nc(C)n1 20774137 BOFBPXLNHZLGRL-MRXNPFEDSA-N 324.384 1.277 0 40 DDAB Nc1nc(Cl)cc(NCc2nncn2-c2ccccc2)n1 51968219 LXNHCMXCHGZQEC-UHFFFAOYSA-N 301.741 1.905 0 40 DDAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)c2ccco2)C1 21216147 BORLSTFSJBKZCY-VIFPVBQESA-N 306.347 1.622 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102232887 YAVRKBRPBBRBBO-MFDQJXRNSA-N 306.343 1.308 0 40 DDAB CCc1sc(C(=O)NCC2(C(N)=O)CCOCC2)cc1C 52742670 SZNVPKRKBILFGF-UHFFFAOYSA-N 310.419 1.631 0 40 DDAB CNC(=O)COc1cccc(NC(=O)Nc2nccs2)c1 52797033 NRVBARPWBWPJBV-UHFFFAOYSA-N 306.347 1.912 0 40 DDAB NC(=O)[C@H]1CCN(CC(=O)N(Cc2cccs2)C2CC2)C1 52962045 VGPRMHGWQQMJIE-NSHDSACASA-N 307.419 1.046 0 40 DDAB Cc1nc(NCCN2CCCCCC2=O)c2cnn(C)c2n1 54059196 XPXIEJTVACMUHN-UHFFFAOYSA-N 302.382 1.486 0 40 DDAB Cc1cc(C)n2ncc(C(=O)NCc3cn4ccccc4n3)c2n1 23110532 AQWGLBJLSLYBDP-UHFFFAOYSA-N 320.356 1.924 0 40 DDAB CC(C)c1nnc(NC(=O)[C@H]2CSC(C)(C)N2C=O)s1 115346 BDZFEUAVNNIWPW-MRVPVSSYSA-N 314.436 1.910 0 40 DDAB Cc1cc(C)n(CCCNC(=O)Cc2cn3ccsc3n2)n1 23246424 AGHJOAISMIRMJZ-UHFFFAOYSA-N 317.418 1.958 0 40 DDAB COc1ccnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1 47693971 YUCCVPXRYJRDNZ-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1 413028 AYNJCISJAAWJLE-UHFFFAOYSA-N 320.378 1.382 0 40 DDAB CC1CCN(C(=O)[C@@H](C)N2CCn3c(nnc3C3CC3)C2)CC1 78787925 DOYXUCVUQCAGGR-CYBMUJFWSA-N 317.437 1.618 0 40 DDAB CCn1c(SCC(=O)NC(C)C)nnc1-c1cccnc1 1355990 AZFPWJZONWBHMZ-UHFFFAOYSA-N 305.407 1.977 0 40 DDAB O=C1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1 47927607 HURXYEKAYPVSEL-GXTWGEPZSA-N 306.337 1.252 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)on1 42871312 XZPVWQPWLXILPI-MNOVXSKESA-N 313.379 1.017 0 40 DDAB C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](c3cccc(O)c3)[C@@H]21 4027572 OYYQTTDHEHANDY-YJRXYDGGSA-N 304.350 1.074 0 40 DDAB biogenic C[C@@H](NC(=O)Nc1ccncc1)c1ccc(S(N)(=O)=O)cc1 43160320 ZSZDCCOOIBLYCO-SNVBAGLBSA-N 320.374 1.612 0 40 DDAB CO[C@H]1[C@H](COC(=O)c2ccccc2)O[C@@H]2OC(C)(C)O[C@@H]12 4946060 YRTLYGPRRYJPFB-PWNZVWSESA-N 308.330 1.735 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCc1cn2ccccc2n1 43476647 DNLOARFTNUIBKG-CYBMUJFWSA-N 302.378 1.902 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 10302484 LXYDFUGRDUSAAH-CYBMUJFWSA-N 302.440 1.307 0 40 DDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccccc1 25418012 FEYRSJJGGWLLHG-ZDUSSCGKSA-N 303.406 1.231 0 40 DDAB COC[C@@H]1CN(C(=O)NCC2(c3ccccc3F)CC2)CCO1 76087130 FLUDEGKZNSYHET-ZDUSSCGKSA-N 322.380 1.914 0 40 DDAB CCOC(=O)[C@@H](C)NC(=O)CNC(=O)c1cc(C)cc(C)c1 58087394 UIIIRMHWNVLSIE-GFCCVEGCSA-N 306.362 1.101 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)c1cccs1 76092296 NHDZPHQNJQRZFT-BLLLJJGKSA-N 324.446 1.863 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1ccc(N(CC)CC)nc1 58283443 VFKBNITXKNYKHS-UHFFFAOYSA-N 306.410 1.526 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 44942450 KJXRISYRGCHKIV-IINYFYTJSA-N 302.334 1.143 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)CCNC(=O)[C@H]1C[C@@H]1C 48305196 KATJHVXOULIMCX-JSGCOSHPSA-N 319.405 1.647 0 40 DDAB COc1ccc2cc(C(=O)NCCCS(C)(=O)=O)[nH]c2c1 58364181 LVDUDPDOFLBJLT-UHFFFAOYSA-N 310.375 1.341 0 40 DDAB O=C(Nc1ccccn1)C1CCN(C(=O)N2CCCC2)CC1 36396839 YVZULRUZHRQYMH-UHFFFAOYSA-N 302.378 1.948 0 40 DDAB COc1c(C)cnc(CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)c1C 58957455 CJGHFGIRZJWERM-GFCCVEGCSA-N 305.378 1.144 0 40 DDAB Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(F)cn1 69675304 FVCAHUJQMNFPJH-UHFFFAOYSA-N 304.734 1.717 0 40 DDAB C[C@H]1COCCN1C(=O)NCc1ccccc1Cn1cncn1 45926913 AWGVVVXPXVZXON-ZDUSSCGKSA-N 315.377 1.257 0 40 DDAB CC(C)C(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]21 107253870 IYDXVYITRNPPOT-IAZYJMLFSA-N 314.432 1.139 0 40 DDAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100179590 KVMAWRQFOJLWOB-OJVARPOJSA-N 309.321 1.942 0 40 DDAB CCOc1ccc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13170738 WMGGURKWFMHSOP-GFCCVEGCSA-N 307.346 1.787 0 40 DDAB COc1ncccc1NC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 49058210 KPYXOIHNFHEZLY-LBPRGKRZSA-N 305.378 1.923 0 40 DDAB O=C(Cn1cnc2ccccc2c1=O)NOCc1ccccc1 13987464 GFFPLTBOGNHFTG-UHFFFAOYSA-N 309.325 1.645 0 40 DDAB COC[C@@H](C)NC(=O)NC[C@H](C)N1CCc2sccc2C1 65428286 ZIOMCZIRNWPCJN-NEPJUHHUSA-N 311.451 1.829 0 40 DDAB CN(CC(=O)NCc1ccccc1)CC(=O)NCc1ccco1 14142247 CTAKGHUNIRLPLS-UHFFFAOYSA-N 315.373 1.144 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc2ccccc12 14125809 PCKUJAOTUYQKKI-GFCCVEGCSA-N 323.352 1.567 0 40 DDAB COC(=O)c1ncn(CN2CCC[C@@H]2Cc2ccccc2)n1 65603922 VWACYQCFNHDGIB-CQSZACIVSA-N 300.362 1.729 0 40 DDAB Cc1csc(N2CCN(c3cc(C(N)=O)ccn3)CC2)n1 65609510 VYEPUANQYVTGLY-UHFFFAOYSA-N 303.391 1.272 0 40 DDAB COc1cc(CO)c(O)c(Cc2cc(OC)cc(CO)c2O)c1 4544205 HURZMFPNMNPFTF-UHFFFAOYSA-N 320.341 1.690 0 40 DDAB Cc1ccc(S(=O)(=O)CCCN2CC[C@H](C)[C@@H](O)C2)cc1 110705930 KCKLQRBFSXTJDG-HOCLYGCPSA-N 311.447 1.862 0 40 DDAB CC(=O)c1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1 19793389 GWYJYCSYCLSZJO-UHFFFAOYSA-N 300.358 1.871 0 40 DDAB CCNC(=O)NCCOC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 95404971 QRVVECBLJYABHJ-PWSUYJOCSA-N 312.316 1.931 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1cccc(F)c1 67143123 FGSBLPCQFZXYEY-STQMWFEESA-N 300.337 1.783 0 40 DDAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cn1 5977345 GKKKMJHKFXVSSV-UHFFFAOYSA-N 320.374 1.288 0 40 DDAB c1cncc(-c2ccnn2CN2CCC3(CC2)OCCO3)c1 71792394 RHLKKFMNYNSLDY-UHFFFAOYSA-N 300.362 1.742 0 40 DDAB COc1cc(CNC(=O)c2ccc[nH]c2=O)ccc1OC(F)F 9500288 DRNSKZHSBPUZQQ-UHFFFAOYSA-N 324.283 1.915 0 40 DDAB Cc1cnn(CCNCC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 70008360 CWHJUQCOVMPBEJ-CVEARBPZSA-N 304.438 1.962 0 40 DDAB CCN1CCN([C@H](C)CNCc2c[nH]nc2C(C)(C)C)CC1 71819584 VAVGUOBQHZUUBK-CQSZACIVSA-N 307.486 1.823 0 40 DDAB NC(=O)[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 71832847 ADQHWJQSFAHMGY-RHSMWYFYSA-N 309.369 1.608 0 40 DDAB C[C@H](NCc1ccc(OCC(N)=O)cc1)[C@H](C)n1cccn1 69418082 CINBDFPFAQHPFR-STQMWFEESA-N 302.378 1.487 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc(C)cc3cn[nH]c13)C2 69493520 BMLYUMXKNXGGTP-UHFFFAOYSA-N 310.361 1.681 0 40 DDAB O[C@@H](CN1CCC(CNCc2cc[nH]n2)CC1)c1ccccc1 69490780 KTOZFVQMWXGKRB-SFHVURJKSA-N 314.433 1.945 0 40 DDAB Cc1nn(CC(=O)N2CCN3CCCC[C@@H]3C2)c(C)c1Cl 71839727 FPTXTAQERPEVKU-CYBMUJFWSA-N 310.829 1.850 0 40 DDAB COc1ccccc1C1(C(=O)N2CCN(C[C@H](C)O)CC2)CC1 71871448 KPWJNXXXSIJKCP-AWEZNQCLSA-N 318.417 1.252 0 40 DDAB CCc1ccccc1N1C[C@H](C(=O)NC2=NCCS2)CC1=O 8427843 WXXCTDCFHDRKEW-GFCCVEGCSA-N 317.414 1.821 0 40 DDAB COc1cccc(COCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 71829549 JJVHULZGVKYLGM-JSGCOSHPSA-N 320.389 1.324 0 40 DDAB COc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 71806895 KJXPQCTXMJSPHZ-SNVBAGLBSA-N 317.794 1.608 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(N)=O 69629648 KLLDDJQMKMYSCF-SNVBAGLBSA-N 308.762 1.267 0 40 DDAB COCc1nc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cs1 69621750 RJRSHHVPUXMWCV-LLVKDONJSA-N 306.391 1.963 0 40 DDAB CCC[C@@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1 71904701 WBRXDILOVMYMMF-KGLIPLIRSA-N 318.483 1.989 0 40 DDAB O=C1CCc2cc(OCCOn3nnc4ccccc43)ccc2N1 69848308 WEMSTUIGFPHJHT-UHFFFAOYSA-N 324.340 1.824 0 40 DDAB CN(c1cccnn1)C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 69841974 DGQCVUASUJUKNM-HNNXBMFYSA-N 318.421 1.863 0 40 DDAB CC[C@@H](C)[C@H](NS(=O)(=O)Cc1ccccc1F)C(N)=O 71908334 BCXPWJVBFTWWRB-SKDRFNHKSA-N 302.371 1.145 0 40 DDAB O=C(O)[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C1 92181712 APMYVDVTHOUBTM-SFYZADRCSA-N 319.741 1.787 0 40 DDAB COCCNC(=O)NC(=O)COc1c(Cl)cccc1Cl 8749651 JFJPURUEDBCCIK-UHFFFAOYSA-N 321.160 1.844 0 40 DDAB CN(Cc1csc(Br)c1)C[C@](C)(O)C(=O)O 70714477 KQQNVXKORGRTDX-JTQLQIEISA-N 308.197 1.778 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CCC[C@H]1C(=O)NCC(F)(F)F 89598004 TZHQJEUCLWEAQA-KNVOCYPGSA-N 320.233 1.760 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 83984918 UPJVUAIPOUDVAY-CABCVRRESA-N 322.430 1.284 0 40 DDAB CN(Cc1cn(-c2ccc(F)c(Cl)c2)nn1)S(C)(=O)=O 97083781 OLJXCHPBVKQVOB-UHFFFAOYSA-N 318.761 1.451 0 40 DDAB Cc1csc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)n1 72273736 GBLMQEXRDDRHSK-SNVBAGLBSA-N 322.390 1.057 0 40 DDAB O=C(Cc1cccc(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269279 NSWLVPLACOTFJT-HOTGVXAUSA-N 322.836 1.940 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)no1 72231823 UOAXLZRKPCVYNA-ZDUSSCGKSA-N 315.377 1.859 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCn2c(nnc2C2CC2)C1 72268376 COADJZJOQCDDPW-SECBINFHSA-N 300.366 1.993 0 40 DDAB Cc1ccn(-c2ccccc2NC(=O)CCCS(C)(=O)=O)n1 84248025 QBBMLCLOGFDSTP-UHFFFAOYSA-N 321.402 1.944 0 40 DDAB Cc1nc(CCNc2ncnc3c2cnn3CCO)cs1 97199849 CLOBXKFAHNTKGL-UHFFFAOYSA-N 304.379 1.238 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84335485 VNAXDBADRICOLO-CABCVRRESA-N 310.344 1.636 0 40 DDAB CC(C)(C)CC(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1 89642992 OWRIZLOCRUGTOT-UHFFFAOYSA-N 323.374 1.978 0 40 DDAB C[C@H](C(=O)Nc1cccc(-n2cccn2)c1)N1CCN(C)CC1 95395857 ZBNSATXPZPNYCB-CQSZACIVSA-N 313.405 1.447 0 40 DDAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CC(N)=O)C1 84686341 REWYKHYMDBXQEQ-ZIAGYGMSSA-N 317.433 1.656 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)[C@@H](C)O)CC1 95964819 HJLDZAIPEZMCHV-JKSUJKDBSA-N 319.449 1.629 0 40 DDAB CC(C)c1cc(C(=O)N2CCC(n3ccnn3)CC2)n(C)n1 95979274 LYSSUYQDRHUGKW-UHFFFAOYSA-N 302.382 1.612 0 40 DDAB CCc1nnc(CN2CCCN(C(=O)OCC(C)C)CC2)n1C 89296112 UMQMDRNCDSRNBP-UHFFFAOYSA-N 323.441 1.678 0 40 DDAB Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2c(C)noc2n1 36614155 KZOOPAMHJVFQMO-LBPRGKRZSA-N 300.362 1.760 0 40 DDAB Cc1nnc(NC(=O)CN2CC(c3nc(C4CC4)no3)C2)s1 70637005 MYGSDSFJYMQLGP-UHFFFAOYSA-N 320.378 1.145 0 40 DDAB Cc1nn(C)c2c(=O)n(C)c(NCc3ccc(F)cc3)nc12 32651496 CGSTVJFLAWYSBO-UHFFFAOYSA-N 301.325 1.727 0 40 DDAB CCOCCOCc1ccc(OC[C@@H](O)CNC(C)C)cc1 67664945 OPVJAGJYMLRLHP-INIZCTEOSA-N 311.422 1.977 0 40 DDAB in-vitro Cc1ncc(CNc2nc3c(C)nn(C)c3c(=O)n2C)s1 32651572 QNLSMYYVRJKYKM-UHFFFAOYSA-N 304.379 1.352 0 40 DDAB COC(=O)c1ncn(Cc2nnc(-c3ccc(Cl)cc3)o2)n1 78995439 SSDOQBGXYDWQKI-UHFFFAOYSA-N 319.708 1.816 0 40 DDAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(C(=O)C2CC2)C1 72394204 BRFBPVVMMMOEHK-LBPRGKRZSA-N 308.403 1.601 0 40 DDAB O=C(NCc1cccc(O)n1)[C@H]1CCN(Cc2ccccc2)C1 566746420 CTOKOACEPSXKII-HNNXBMFYSA-N 311.385 1.926 0 40 DDAB CCOC(=O)c1cc(NC(=O)Cc2c(C)nn(C)c2C)c[nH]1 75258740 HHKPDNBSUUERHO-UHFFFAOYSA-N 304.350 1.723 0 40 DDAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)c1ccco1 36708320 DOWXAVNGYJZEOJ-UHFFFAOYSA-N 324.384 1.928 0 40 DDAB COC(=O)CCNC(=O)c1c[nH]nc1-c1ccc(OC)cc1 73418043 NEUBFIMMGKIKOZ-UHFFFAOYSA-N 303.318 1.378 0 40 DDAB Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccccn2)c1 72321670 JWTBDKSEAFPZLF-MWQQHZPXSA-N 312.369 1.398 0 40 DDAB biogenic,in-vitro CN(C)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cn1 75162090 MDWKDWNPXQELIW-UHFFFAOYSA-N 314.317 1.622 0 40 DDAB COc1ccc(-c2ncc(CCC(=O)O)c(=O)[nH]2)cc1OC 223446820 XATKECPHUVHVNS-UHFFFAOYSA-N 304.302 1.471 0 40 DDAB C[C@@H]1C[C@H](O)CN(c2nc(O)c3cnn(C(C)(C)C)c3n2)C1 571384345 GUVDXSPCAKKFQR-ZJUUUORDSA-N 305.382 1.494 0 40 DDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 42646581 ZFEHFOVMCXPJFX-UHFFFAOYSA-N 305.422 1.991 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc2c(c1)OCCO2 47490434 JGBPZRPSGDBZBV-CYBMUJFWSA-N 313.357 1.999 0 40 DDAB CCCn1ncc(CNC(=O)C(=O)Nc2cccc(O)c2)c1C 40287618 LUOCTIHCRDIWIZ-UHFFFAOYSA-N 316.361 1.562 0 40 DDAB CC(C)C[C@H](N)C(=O)N1CCC(N(C)c2cccnn2)CC1 195554217 WAGZHNHTZRLHBW-AWEZNQCLSA-N 305.426 1.277 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)cc1 332260045 DUSQPDTWKJVUQP-GFCCVEGCSA-N 316.361 1.861 0 40 DDAB CN(C)CC(=O)N1CCC2(CC[C@@H](COCC3CC3)N2C)CC1 96209261 PDPNJVNKNTZXCP-INIZCTEOSA-N 323.481 1.430 0 40 DDAB O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(O)nn1 96495276 DFTKMXCCTNFWIW-LLVKDONJSA-N 303.293 1.965 0 40 DDAB CC(=O)NCc1noc2c1CN(Cc1csc(C)n1)CC2 96084836 VDRUKQKCVCMDRO-UHFFFAOYSA-N 306.391 1.634 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCN(C[C@H]3CCOC3)CC2)o1 96454800 XTCFSJMIPHMNHW-MBVDDHJVSA-N 304.390 1.782 0 40 DDAB O=C(C1CCCCC1)N1CCN(Cc2ccc(CO)o2)CC1 92539647 QGNSAXMXTRQKLQ-UHFFFAOYSA-N 306.406 1.996 0 40 DDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 96064878 MNXXDDKGNGUIRY-GDBMZVCRSA-N 306.362 1.425 0 40 DDAB Cn1cc(N2CC[C@H]3CN(Cc4cccnc4)C[C@@H]3C2=O)cn1 96249156 MVCKRQMVDQOPSS-HOCLYGCPSA-N 311.389 1.300 0 40 DDAB C[C@H](C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)N1CCCCCC1 97380083 LWYLFEIXHOJLIQ-IUODEOHRSA-N 321.396 1.733 0 40 DDAB COCC(=O)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96049581 BHYXGTPRGXCTCX-KRWDZBQOSA-N 319.405 1.173 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)NCCCN(C)C)CC(=O)N2C)cc1 96181326 JVFSNQRSHCKSIF-WBVHZDCISA-N 317.433 1.582 0 40 DDAB CN(C)C(=O)N[C@@H]1CN(Cc2cccc(F)c2)[C@@H]2CCCO[C@H]12 96185854 ALNXTSOXVZQAQH-BZUAXINKSA-N 321.396 1.829 0 40 DDAB COCCN1CCN(Cc2ccccc2-n2cccn2)CC1=O 97235619 MKSXVBQXKHQPFL-UHFFFAOYSA-N 314.389 1.163 0 40 DDAB O=C(c1ccc2ccccc2n1)N1CC(N2C(=O)CCC2=O)C1 238825247 DPALHKZWDANDPL-UHFFFAOYSA-N 309.325 1.208 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247971251 UUFUHMYGGMAQLA-ZDUSSCGKSA-N 324.340 1.572 0 40 DDAB O=C1CCCN1C[C@@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@@H]21 248070325 XTXMOJMBFDNKPW-FVQBIDKESA-N 301.390 1.151 0 40 DDAB Cc1c[nH]c([C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 257292798 QMZAOKKZGAAKIW-AWEZNQCLSA-N 321.402 1.621 0 40 DDAB CS(=O)(=O)N1CCC2(CC[C@H](Cc3ccccn3)OC2)CC1 257325880 WUVWAAPQVFNPJR-OAHLLOKOSA-N 324.446 1.845 0 40 DDAB Cc1cc(CN2CCO[C@@H](CCc3ccnc(N)c3)C2)no1 257217192 CXYFHRSIHZYUMA-HNNXBMFYSA-N 302.378 1.794 0 40 DDAB CN(C)Cc1ccc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)cc1 257305011 SOBSFDCLGQJJDH-INIZCTEOSA-N 314.389 1.685 0 40 DDAB COCC(=O)N1CC[C@H](Cc2ccc(-c3ccnn3C)nc2)C1 257286631 PMHMIKACVNVANW-CQSZACIVSA-N 314.389 1.520 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257201794 AJBRPWDKFZRLBO-LLVKDONJSA-N 310.361 1.776 0 40 DDAB NC(=O)c1sc2ncccc2c1C1CCN(CCO)CC1 257316570 VGDMMENRCKQOAL-UHFFFAOYSA-N 305.403 1.567 0 40 DDAB C[C@H](C(=O)O)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 263544239 FWVFEKGIMRLCQL-KDDOJWQBSA-N 324.764 1.449 0 40 DDAB CNC(=O)C[C@@H]1CN(CCCOc2ccccc2F)C[C@@H]1OC 585278181 MMJNUDBKHUUEFU-CJNGLKHVSA-N 324.396 1.678 0 40 DDAB CC1CC(C(=O)N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 585101005 SJOMUPFXNZZPCG-JTTJXQCZSA-N 321.465 1.435 0 40 DDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1)[C@H]2C 585097252 JEROBLFMUHFGKI-LBPRGKRZSA-N 316.361 1.407 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2CCCS(C)(=O)=O)n1 71875354 IOYJNVKGUCPRET-OAHLLOKOSA-N 313.467 1.789 0 40 DDAB O=C(CN1CCCNC1=O)N1CCC[C@@H](c2nccs2)C1 72273464 BKMYGLGJZJDSJJ-LLVKDONJSA-N 308.407 1.264 0 40 DDAB Cn1ncc2c(NC[C@@]3(O)CCOc4ccccc43)ncnc21 1776001686 GPOVZNUORIBDPD-INIZCTEOSA-N 311.345 1.446 0 40 DDAB CCCC(C)(C)NC(=O)CCn1nnc2ccccc2c1=O 50498157 CHTOGGBUHGHOLZ-UHFFFAOYSA-N 302.378 1.877 0 40 DDAB CCCn1cc(NC(=O)[C@H]2CCCN(C(C)=O)C2)ccc1=O 57143486 GCRPOWGHOGWELF-ZDUSSCGKSA-N 305.378 1.455 0 40 DDAB CCc1ccccc1OCC(=O)N1CCC2(CC1)OCCO2 58679083 LFDHQNQQYCRTPS-UHFFFAOYSA-N 305.374 1.993 0 40 DDAB Cc1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)n1 40535868 ZBVYLOALSAXPPJ-KRWDZBQOSA-N 324.340 1.697 0 40 DDAB CCc1nnc(CN2CCN(c3nc4ccccc4[nH]3)CC2)o1 97050993 SJLOTPYDRLIJQZ-UHFFFAOYSA-N 312.377 1.831 0 40 DDAB COc1ccccc1NC(=O)CSc1nc(O)nnc1C 11990594 RYUQPIFTXLIUOU-UHFFFAOYSA-N 306.347 1.625 0 40 DDAB CN(C)c1cc(N2CCN(C(=O)c3cccs3)CC2)cnn1 206723928 NUTXAEOXZAFYEQ-UHFFFAOYSA-N 317.418 1.567 0 40 DDAB COc1cc(N2CCC[C@H](COc3ncccn3)C2)ncn1 1889102921 CFSQFIVIGMFFMB-LBPRGKRZSA-N 301.350 1.571 0 40 DDAB Cc1csc(NC(=O)C[C@H]2CSc3ncc(C)c(=O)n32)n1 14032307 XAXQGNQEVXXOLG-VIFPVBQESA-N 322.415 1.992 0 40 DDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1cccs1 5215991 CGDWGHFBZCPBRM-UHFFFAOYSA-N 307.352 1.776 0 40 DDAB O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc(F)cc1 6243216 GTNYVWDTAQLSGQ-UHFFFAOYSA-N 305.286 1.811 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CC(Oc2cccnc2)C1 238821244 CRTFVQJUNVXUMM-UHFFFAOYSA-N 309.347 1.138 0 40 DDAB Cc1cnc(-c2nccnc2[C@@H]2CCCN2S(C)(=O)=O)[nH]1 2037666342 BCWZXNWCJZYLQU-JTQLQIEISA-N 307.379 1.272 0 40 DDAB Fc1cnccc1CN1CCN(c2ncc(Cl)cn2)CC1 2086884815 LREYJSUDSBNHTJ-UHFFFAOYSA-N 307.760 1.986 0 40 DDAB CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]2c3ccccc3OC[C@@H]21 568103 OAAGULBBCPUWBA-GXSJLCMTSA-N 300.314 1.375 0 40 DDAB NC(=O)CSc1nnc(NC(=O)Cc2cccs2)s1 4328769 UBGIHVLKHOBDCW-UHFFFAOYSA-N 314.417 1.358 0 40 DDAB CCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(C)=O)C2)C1 2055824429 UNEYDILCNCTAAC-SJLPKXTDSA-N 317.433 1.789 0 40 DDAB COc1ccc(OCCN[C@@H](C(N)=O)c2ccccc2)cc1 30515240 QBKHWOCDUDOKRX-MRXNPFEDSA-N 300.358 1.890 0 40 DDAB CCn1c(=S)[nH]c(O)c([C@H]2NCCc3ccccc32)c1=O 20149699 CBGAZRWWZONFFT-LBPRGKRZSA-N 303.387 1.866 0 40 DDAB Cc1ccc(OCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 40496987 QIPXKVIDRCWBSJ-ZDUSSCGKSA-N 311.403 1.376 0 40 DDAB CCc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)o1 40511099 KCVKTCFETKCJRI-JTQLQIEISA-N 322.386 1.980 0 40 DDAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1Cn1cccn1 20606345 AIOBZKASUSSCOZ-GXTWGEPZSA-N 319.386 1.728 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1 32913878 HMDUFNHEGDWMNR-HNNXBMFYSA-N 320.433 1.819 0 40 DDAB CC(C)n1nc(C(=O)NC[C@@H]2CCOC2)c2ccccc2c1=O 41378582 OBMRXLOZBKITNQ-LBPRGKRZSA-N 315.373 1.744 0 40 DDAB CS(=O)(=O)CCNC(=O)CCCC(=O)c1ccc(F)cc1 41339972 AGSODNOETUFWEB-UHFFFAOYSA-N 315.366 1.340 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C 421106 ZDHNCYQYVRTCTF-UHFFFAOYSA-N 321.362 1.118 0 40 DDAB CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 290104 CBAHFESLQQXEEI-SECBINFHSA-N 311.179 1.938 0 40 DDAB COc1ccc(OC)c([C@H]2SCCN2S(C)(=O)=O)c1 299257 PHOFBIKRIZAPAP-GFCCVEGCSA-N 303.405 1.711 0 40 DDAB CC(C)c1nc2ccccc2c2nnc(SCC(N)=O)n12 1327737 URCHHAWXFCDMOC-UHFFFAOYSA-N 301.375 1.978 0 40 DDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C(N)=O 79060322 FADDWMXCRPRPMA-NOZJJQNGSA-N 310.375 1.611 0 40 DDAB COc1cccc2c(=O)c(C(=O)NCCc3ccccn3)c[nH]c12 79488181 SGBRHKGVCBCSLT-UHFFFAOYSA-N 323.352 1.904 0 40 DDAB CN1C(=O)C(=O)N(CN2CCCc3c(F)cc(F)cc32)C1=O 54546199 ZLAFEIGWKLLLDP-UHFFFAOYSA-N 309.272 1.096 0 40 DDAB CC(C)(C)NC[C@@H](O)COc1cccc2c1CCN(C=O)C2 4214327 GMJHUSJLZXFFQJ-CQSZACIVSA-N 306.406 1.329 0 40 DDAB in-man O=C1CN(C(=O)CNC(c2ccccc2)c2ccccc2)CCN1 24219410 UXMFDFITALVFNG-UHFFFAOYSA-N 323.396 1.324 0 40 DDAB CN(C)C(C)(C)CNC(=O)NCc1nncn1-c1ccccc1 43188976 FQTWNJXRBDGREK-UHFFFAOYSA-N 316.409 1.407 0 40 DDAB CCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1 7263338 PNADFIDFNQOZFP-UHFFFAOYSA-N 307.354 1.721 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(OC[C@H]2CCCO2)c1 12539484 HLJAVOVDJKIKNZ-BXUZGUMPSA-N 321.377 1.500 0 40 DDAB O=C(NCCn1ccnc1)N1CCN(Cc2cccs2)CC1 43312033 AAFDRSAKIWYYDB-UHFFFAOYSA-N 319.434 1.472 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1C[C@@H](O)Cn1cccn1 107517896 VQHDHOJVJBQVTR-GJZGRUSLSA-N 300.406 1.979 0 40 DDAB Cc1cnc(C(=O)OCC(=O)NCCCc2ccccc2)cn1 3238824 JIFHNACVZBZAEB-UHFFFAOYSA-N 313.357 1.691 0 40 DDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C2CCCC2)CC1 27119881 HCZVIOMKJRKYTR-LBPRGKRZSA-N 319.457 1.141 0 40 DDAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCn1cnnn1 3214787 YYCKQGLOPVTZEH-DHZHZOJOSA-N 301.331 1.410 0 40 DDAB O=C(CCOCc1ccccc1)NCC(=O)Nc1nccs1 58281840 KBBBNHALHGHEEM-UHFFFAOYSA-N 319.386 1.805 0 40 DDAB C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1cncn1 44910992 QMUQKKPUWHYBKQ-RISCZKNCSA-N 304.325 1.578 0 40 DDAB CC(C)Oc1ncccc1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 44952779 GODVZYNBWOFDFK-CYBMUJFWSA-N 320.393 1.276 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)NC3[C@@H]4CCCC[C@@H]34)ccc21 100768705 OJJDUKQOAPKMLX-GHMZBOCLSA-N 322.386 1.598 0 40 DDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 62132660 HNIDYXFNWNMNPK-ZDUSSCGKSA-N 309.387 1.661 0 40 DDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)c(F)c1 48251774 KCVSFOUPKQMDRW-LLVKDONJSA-N 316.398 1.597 0 40 DDAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2S(C)(=O)=O)cc1 100113383 VBDMHRJWICNVNA-SLEUVZQESA-N 311.403 1.887 0 40 DDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1ccc[nH]1 10950495 VKAXSVBOLXXGML-MEBBXXQBSA-N 301.298 1.969 0 40 DDAB C[C@H](Sc1nnc(C[C@@H](C)c2ccccc2)n1N)C(N)=O 3326082 LYFOBQVCSCRAOR-ZJUUUORDSA-N 305.407 1.304 0 40 DDAB C[C@]12CC[C@@H](C[C@@H]1C(=O)O)[C@]1(C2)NC(=O)c2cccnc2N1 100208520 MOLUQBOUIQINHD-LLAGZRPASA-N 301.346 1.844 0 40 DDAB C[C@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(C(N)=O)CC1 12894310 XBOQMUHYKVNVMO-SNVBAGLBSA-N 300.362 1.181 0 40 DDAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1C[C@H](O)CN1 37031605 SGMWQZDJGKEECU-MVWJERBFSA-N 312.822 1.716 0 40 DDAB C[C@H](C[C@H]1CCCO1)Nc1cc(N2CCC[C@@H]2CO)ncn1 72276252 VVJSCPRHYQZNJC-MGPQQGTHSA-N 306.410 1.807 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)no1 72298998 UZEJAPBKQZYIOI-BXUZGUMPSA-N 315.329 1.882 0 40 DDAB CCn1cnnc1CNC(=O)c1cc(OC)c2c(c1)OCCO2 60579723 RCNDUTXFHIIDCM-UHFFFAOYSA-N 318.333 1.008 0 40 DDAB O=C(CCc1nc(Cc2ccccc2)no1)NC[C@@H]1CCOC1 46787182 GMBJOHNRQONBMS-AWEZNQCLSA-N 315.373 1.746 0 40 DDAB NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)s1 47281843 MPWHZAZQSPXKCI-UHFFFAOYSA-N 322.839 1.820 0 40 DDAB Cc1cnn(C[C@@H]2CN(C(=O)Nc3cc(C)nn3C)CCO2)c1 171837163 NDYLEPRAKZALNW-ZDUSSCGKSA-N 318.381 1.166 0 40 DDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1ccco1 64316612 FXLMHBVWZSJXJZ-UHFFFAOYSA-N 314.345 1.894 0 40 DDAB COc1ccc(S(=O)(=O)NCc2cnn(C)c2)c(C)c1F 96008583 MEARSMRCGMALAM-UHFFFAOYSA-N 313.354 1.355 0 40 DDAB Cc1ccc(C)n1CCN1CCN(C(=S)NC2CC2)CC1 13729163 WEYOAOQBZQXJNA-UHFFFAOYSA-N 306.479 1.759 0 40 DDAB COc1ccc(S(=O)(=O)Oc2cc(C)nn3cnnc23)cc1 6188746 FYOKLFKGPNOYCG-UHFFFAOYSA-N 320.330 1.209 0 40 DDAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2ccc(F)cc2)C1 65493938 VGYMYUPFGOPYBP-AWEZNQCLSA-N 316.398 1.786 0 40 DDAB CN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1 14198030 LBFOZCIYOHDAGK-UHFFFAOYSA-N 310.419 1.952 0 40 DDAB C[C@@H]1CCc2sc3nc(N(C)CCO)n4ncnc4c3c2C1 5478134 FATQOPCBQCNYEG-SECBINFHSA-N 317.418 1.892 0 40 DDAB CCc1ccc(C(=O)N[C@@H](C(=O)NCCOC)C(C)C)cc1 4698032 MTJQVLBSMJEPFB-OAHLLOKOSA-N 306.406 1.766 0 40 DDAB CN(C)c1cccc(NC(=S)N[C@H]2CCS(=O)(=O)C2)c1 4785954 IULGCQCSXCLLHT-NSHDSACASA-N 313.448 1.226 0 40 DDAB Cc1nc(CS(=O)(=O)c2nnc(N(C)C)s2)cs1 66717985 JIOPYTVUYBPZMD-UHFFFAOYSA-N 304.422 1.343 0 40 DDAB CCC(NCc1ccc(Cl)cc1)=C1C(=O)NC(=O)NC1=O 6907262 QHXSDPSUBJHVDK-UHFFFAOYSA-N 307.737 1.460 0 40 DDAB CN1[C@H](Cc2cccnc2)[C@H](O)c2ccccc2S1(=O)=O 9423500 SCQFIVOFMZXZDC-UKRRQHHQSA-N 304.371 1.360 0 40 DDAB COC(=O)[C@H]1CN(CCCN2CCOC2=O)c2ccccc2O1 71892865 IXGNTEPNZRJCTE-CQSZACIVSA-N 320.345 1.269 0 40 DDAB O=C(C[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCCC1 71800154 LVZISRWYOXATLV-GFCCVEGCSA-N 305.309 1.263 0 40 DDAB CCc1nc2n(n1)C[C@H](NCc1c(C)nc3sccn13)CC2 71877273 CRHUVAJBCRJKOU-LLVKDONJSA-N 316.434 1.963 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O 81700970 ONFVVULGCKFZJD-WMZOPIPTSA-N 324.380 1.499 0 40 DDAB c1coc(-c2noc(CN3CCCC[C@@H]3Cn3cncn3)n2)c1 71876329 MCHRGBHXRIMWGY-GFCCVEGCSA-N 314.349 1.976 0 40 DDAB O=C([C@@H]1COCCO1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820026 NPRJMNQMKYKRDY-KBPBESRZSA-N 311.765 1.655 0 40 DDAB Cc1cc(Br)ccc1C(=O)N1CCS(=O)CC1 71846991 YWQRTEUDUSFBPA-UHFFFAOYSA-N 316.220 1.962 0 40 DDAB CCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 9645757 URYJGPBDSJBMNY-ZDUSSCGKSA-N 323.418 1.276 0 40 DDAB N[C@@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C2CC2)C1 97019388 ORBHUCICVIOWGW-GFCCVEGCSA-N 315.352 1.457 0 40 DDAB O=C(O)c1cnc(/C=C/c2cnc(N3CCOCC3)nc2)s1 69977327 LEZSVUSEUDCYAF-OWOJBTEDSA-N 318.358 1.638 0 40 DDAB NC(=O)c1cc(N2CCC(NC(=O)c3ccccc3)CC2)ccn1 97162923 PWBHKSCTBWFAHI-UHFFFAOYSA-N 324.384 1.579 0 40 DDAB Cn1cc([C@H]2OCC[C@@H]2CNCc2ccc(C(N)=O)cc2)cn1 84317483 MQCKOPPNYHKGKV-ZBFHGGJFSA-N 314.389 1.386 0 40 DDAB O=C(c1ccc2c(c1)CCO2)N(C1CC1)[C@H]1CCS(=O)(=O)C1 95349381 XXTVJGCXXFMPPD-AWEZNQCLSA-N 321.398 1.413 0 40 DDAB CC(C)c1cnc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)o1 84630740 ROPLKDPTDZASDG-MRXNPFEDSA-N 320.393 1.703 0 40 DDAB Cc1ccccc1[C@@H](C)NCC(=O)NC[C@@H]1CCS(=O)(=O)C1 95984214 OIDGVZZYOHGFIF-KGLIPLIRSA-N 324.446 1.197 0 40 DDAB C[C@@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C1CCOCC1 95975032 JKORMYSATIEDDK-NVXWUHKLSA-N 323.481 1.288 0 40 DDAB NC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3occc32)n1 95976807 YTKWZQQIPWMOHK-SNVBAGLBSA-N 300.318 1.973 0 40 DDAB CN1N=C(C(=O)N2CCCN(C)c3ccc(F)cc32)CCC1=O 89382484 PZZFXRARWLUIFR-UHFFFAOYSA-N 318.352 1.607 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(Cc3cnc(C)s3)CCO2)n1 75132172 SCGUPVZEHYPPEM-CYBMUJFWSA-N 307.423 1.561 0 40 DDAB Cc1nc(CCNC(=O)N(C)Cc2nnc3n2CCC3)cs1 89709088 LAFVQMNSZNUADK-UHFFFAOYSA-N 320.422 1.373 0 40 DDAB C[C@H]1CCc2sc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2C1 89754411 SJCOHLWFOCCGHV-WCBMZHEXSA-N 306.387 1.408 0 40 DDAB CCCc1noc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)n1 89960505 FMPPJWZLSRLELT-GFCCVEGCSA-N 321.402 1.983 0 40 DDAB CCc1ccc(CCNC(=O)NC[C@H](O)c2cnn(C)c2)cc1 76087819 NJDLOMHZBBLBST-INIZCTEOSA-N 316.405 1.558 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1 73118121 XHPKBRLKOUKUKV-JTQLQIEISA-N 319.434 1.148 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@@H]2c2noc(C)n2)n1 72279291 IOKXFFXYYCHFCO-SNVBAGLBSA-N 307.379 1.919 0 40 DDAB COCC(=O)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378457 POZWPYSZNMSNSJ-CYBMUJFWSA-N 300.362 1.620 0 40 DDAB Cc1cc(NC(=O)CN2CCC=C(c3cccnc3)C2)n(C)n1 565450898 RIAFSMOASHFBPH-UHFFFAOYSA-N 311.389 1.851 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccccn2)o1 72241072 JGDNPHXBKNWXJI-HNNXBMFYSA-N 313.357 1.790 0 40 DDAB CCn1nc(C)c(S(=O)(=O)NCc2cnn(C)c2C)c1C 72239063 ZUBBWDIWYPUONM-UHFFFAOYSA-N 311.411 1.040 0 40 DDAB CN(C[C@H]1Cc2ccccc2CO1)S(=O)(=O)c1cn(C)cn1 225790988 WOWGTEXADGDZMG-CQSZACIVSA-N 321.402 1.182 0 40 DDAB CCN(Cc1ccc(OC)c(F)c1)C(=O)C1=NN(C)C(=O)CC1 21929508 GGZJHZZPKORILJ-UHFFFAOYSA-N 321.352 1.791 0 40 DDAB Cn1cc(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)cn1 41549539 ROMVIFBHRHENLA-AWEZNQCLSA-N 320.736 1.802 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CCc2ncc(C=O)cn2)cc1 49468333 UYGCFPQKPOUXKW-UHFFFAOYSA-N 319.386 1.325 0 40 DDAB C[C@H]1CCc2ccccc2N1CCC(=O)N1CCCS1(=O)=O 97235989 XIJABQJFRJAXCI-ZDUSSCGKSA-N 322.430 1.780 0 40 DDAB Cc1noc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)n1 95399160 MWSOGUMXSVHALZ-UHFFFAOYSA-N 308.725 1.595 0 40 DDAB CCCCS(=O)(=O)N1CCc2ncnc(N(C)C)c2CC1 96255438 JCRHVBWRJFDFQO-UHFFFAOYSA-N 312.439 1.073 0 40 DDAB Cn1cc(C(=O)N2CCC3(CCC(=O)N3CC3CC3)CC2)cn1 96228112 GFWXATMTAPGVSY-UHFFFAOYSA-N 316.405 1.427 0 40 DDAB NC(=O)[C@H]1CC[C@H](CNC(=O)c2c(F)cccc2Cl)O1 96470866 BCOTZYDTPABFDO-GMSGAONNSA-N 300.717 1.242 0 40 DDAB CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1CN(C)CCN1C 96415507 ZUVXXMMRGKMCNZ-JKSUJKDBSA-N 319.453 1.420 0 40 DDAB O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc[nH]1 96455956 ODKFWOONNGOATD-INIZCTEOSA-N 311.385 1.978 0 40 DDAB COc1ccc(N2CCC(C(=O)Nc3ccccn3)CC2)nn1 95476804 MFBLAXJRPKCTMP-UHFFFAOYSA-N 313.361 1.735 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCS[C@@H](c3ccccc3)C2)CN1 96409960 YKFIPVCNWMUQDT-ZIAGYGMSSA-N 304.415 1.829 0 40 DDAB COC[C@]12COC[C@H]1CN(C(=O)CC1Cc3ccccc3C1)C2 96108653 WUFNSDOQNNZMOZ-IEBWSBKVSA-N 315.413 1.913 0 40 DDAB Cn1c(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)nc2cc(Cl)ccc21 257323256 WJJOLBZGEOUZTG-OASPWFOLSA-N 323.780 1.231 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cncs2)CCO1 257200690 AENAHQCWRGAYPE-VIFPVBQESA-N 305.363 1.189 0 40 DDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)c1cccn1C 257341369 ZKAOXENIYGTTDC-QGZVFWFLSA-N 314.389 1.134 0 40 DDAB CCOC(=O)CNC(=O)c1cc(OCc2ccccc2)no1 90707291 IVYAZWKQMKMAKW-UHFFFAOYSA-N 304.302 1.547 0 40 DDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccsc1 390830274 JXIPCHRVHRISOL-LLVKDONJSA-N 314.374 1.195 0 40 DDAB CCOCCc1cnc2n1CCN(C(=O)c1cnc(C)[nH]1)[C@H]2C 585098238 SLUDLHYCCZIRHV-NSHDSACASA-N 317.393 1.711 0 40 DDAB Cn1cnc2c1C[C@H](CN1CCCC1)N(C(=O)c1cocn1)C2 585094951 WKEMTAMZJLSORM-GFCCVEGCSA-N 315.377 1.071 0 40 DDAB O=C(NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)c1cc[nH]n1 585285888 SZPLKULHUKWORX-VCTAVGKDSA-N 319.336 1.497 0 40 DDAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCO[C@@](C)(C(N)=O)C2)CC1 585284728 VKSJXBICMQLHJM-XYPHTWIQSA-N 312.454 1.530 0 40 DDAB O=C(c1ccoc1)N1CCCc2cnc(N3CCOCC3)nc21 675008255 MBFSRWLDPIOCDM-UHFFFAOYSA-N 314.345 1.499 0 40 DDAB CCOC(=O)N1CCC(OC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 69164712 YZNNUGRAEAEQSS-KGLIPLIRSA-N 321.377 1.688 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2cnn3c(C)cc(C)nc23)C1 71827118 KEYLMYBWGHGUPS-ZDUSSCGKSA-N 302.378 1.987 0 40 DDAB C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N1CCN(C)CC1 71867481 KEKZUDHOFOFOBJ-NSHDSACASA-N 313.804 1.845 0 40 DDAB Cc1ccc(OCCNC(=O)N[C@H](C)Cn2ccnc2)cc1 47720305 PEFSOMHCSGTSRE-CQSZACIVSA-N 302.378 1.958 0 40 DDAB CCCNC(=O)COc1ccc(C)cc1S(=O)(=O)N(C)C 53874696 MUBZVTCKMAZIRW-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB Cc1cccc(N(CCC(N)=O)CC(=O)N(C)CC2CC2)c1 76747015 NLOISFLTZFSXOC-UHFFFAOYSA-N 303.406 1.545 0 40 DDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCCCCCC1 61197452 GWTAXUKEPGKGEU-GFCCVEGCSA-N 305.465 1.699 0 40 DDAB Cc1cccc(C)c1C(=O)NCC1CCN(S(C)(=O)=O)CC1 89686310 FYJKFGIVSNOTFD-UHFFFAOYSA-N 324.446 1.705 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(C[C@@H]2CCCO2)C1 89741305 TZAVIAXZXUOSAE-GJZGRUSLSA-N 319.453 1.378 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(Br)o2)C1 96098084 KONMUQDLXGUDGQ-SSDOTTSWSA-N 322.180 1.301 0 40 DDAB Cc1ccc(CN(CCO)C(=O)N[C@@H](C)[C@H]2CCOC2)cc1 96501675 OGTBBOFYLFTVBY-HOCLYGCPSA-N 306.406 1.924 0 40 DDAB COc1ncc(Cl)c(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1 95970971 PGBVWWOWQOLNGP-BDAKNGLRSA-N 319.814 1.906 0 40 DDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 5018787 UBFDPDPMFJKPGU-UXBLZVDNSA-N 320.301 1.071 0 40 DDAB COc1ccccc1NC(=O)NCc1nnc(SC)n1C 5001673 BBRUSCNMVOIFAT-UHFFFAOYSA-N 307.379 1.867 0 40 DDAB COCc1nnc(NC(=O)c2cc(CC(C)C)[nH]c(=O)n2)s1 19447495 JPRHDHQPCDYREK-UHFFFAOYSA-N 323.378 1.219 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 102863606 FWRFDILAQMFPGV-KGLIPLIRSA-N 302.374 1.632 0 40 DDAB COc1ccc([C@H](O)CNC(=O)NC2CCOCC2)cc1OC 225559220 ASLGXRILBKMFIN-CYBMUJFWSA-N 324.377 1.215 0 40 DDAB COCCn1cc(C(=O)N2CCN[C@H](C)C2)c2ccccc21 566685975 VKYANHBTGGRGMA-CYBMUJFWSA-N 301.390 1.722 0 40 DDAB Cc1ccnc2nc(C(=O)NCCc3c[nH]c4ccccc34)nn12 2646581 WXJCYFDXLWQXEV-UHFFFAOYSA-N 320.356 1.887 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1 2635602 ZMEACPDTYAZZOZ-UHFFFAOYSA-N 304.327 1.643 0 40 DDAB Cc1nccc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)n1 1888854190 GNZHZVNGPZRHMR-UHFFFAOYSA-N 312.377 1.485 0 40 DDAB CCc1cc(N2CCN(c3nccc(N(C)C)n3)CC2)ncn1 1888854653 NKTHYFPXUMRMEH-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB O=C(c1cnccn1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300183 BZXPOZHGFXTXNR-UHFFFAOYSA-N 324.384 1.370 0 40 DDAB CC[C@@H]1CO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 1565545981 SXHZHIPLNWVQFM-MEDUHNTESA-N 303.362 1.212 0 40 DDAB CCN1C[C@H]2CN(C(=O)CCc3ccccc3F)C[C@@H](C1)O2 1565552151 MATUYNRFMRWGPL-GASCZTMLSA-N 306.381 1.690 0 40 DDAB Nc1c(C(=O)NCc2ccco2)nnn1Cc1cccc(F)c1 9749052 MLAQVBIHYMXVRV-UHFFFAOYSA-N 315.308 1.571 0 40 DDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 10326971 SOEOUNIDEPUYLV-LLVKDONJSA-N 316.279 1.939 0 40 DDAB CN([C@@H]1CCCN(Cc2ccncc2)C1)S(=O)(=O)C1CC1 2086886964 KCSCIEJYNOHKRJ-CQSZACIVSA-N 309.435 1.470 0 40 DDAB O=C(Nc1cccc(Cl)c1)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585387121 NKIJGQXGXBXSSH-VXGBXAGGSA-N 319.748 1.561 0 40 DDAB COCCNC(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148154 QCUIVQNRARLUPZ-CQSZACIVSA-N 304.346 1.926 0 40 DDAB CCOC(=O)NCc1nc(COc2ccc(OC)cc2)no1 49027391 ATQGURQCWWGFMF-UHFFFAOYSA-N 307.306 1.903 0 40 DDAB O=C1NCCCC[C@H]1Nc1cc(-c2ccccc2)nc2ncnn12 68320491 CCXZTLFNHLIXIJ-CYBMUJFWSA-N 322.372 1.872 0 40 DDAB COc1ccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C2CC2)cc1 31258834 WQCPRHANIKFHCR-INIZCTEOSA-N 315.373 1.871 0 40 DDAB CNc1snc(C)c1C(=O)NC[C@@H](O)c1ccc(OC)cc1 31569437 FUFQDLKNLKOJLK-GFCCVEGCSA-N 321.402 1.965 0 40 DDAB O=c1[nH]c2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 40478794 ZSBRBJSIUAHZJY-UHFFFAOYSA-N 302.311 1.528 0 40 DDAB CC(=O)N1CCc2cc(NC(=O)[C@H](NC(N)=O)C(C)C)ccc21 40462356 HFMOHCVYEPHRAP-CQSZACIVSA-N 318.377 1.227 0 40 DDAB CCN1C(=O)C(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O 31706886 VLYMKUALOZZORL-UHFFFAOYSA-N 322.271 1.742 0 40 DDAB COc1ccc(/C=C/C(=O)Nc2nonc2NC(C)=O)cc1 116280 ZMPQEHBZXXVGHY-VMPITWQZSA-N 302.290 1.689 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H](C)O)cc1C(=O)O 51820373 JBJFBIQCFXZTKU-SNVBAGLBSA-N 301.364 1.003 0 40 DDAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32816036 SFEFKIAQSVHOLW-MRVPVSSYSA-N 306.309 1.775 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCCOC[C@H]1CCCO1 21699908 PXVSJONYGOAHLZ-GFCCVEGCSA-N 318.395 1.155 0 40 DDAB Cc1cc(NC(=O)CCn2c(=O)n(C)c3ccccc32)no1 22139456 KHXHYMJPWDFULH-UHFFFAOYSA-N 300.318 1.665 0 40 DDAB CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1OC 41871795 RYMJYNYVGQGUMJ-GFCCVEGCSA-N 314.407 1.154 0 40 DDAB O=C(NCCCn1cncn1)c1ccc(Br)s1 41862200 HMBPHAAYNZIICJ-UHFFFAOYSA-N 315.196 1.922 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@H](C)[C@@H](C)n1cc(C)cn1 104083992 LWEIWNITNHDGNN-PQLLLQIDSA-N 318.425 1.398 0 40 DDAB O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)C1CC1 54245598 RBYXGPIQIVHULX-UHFFFAOYSA-N 304.346 1.273 0 40 DDAB CCN(CC)CCS[C@@H]1CCCN(c2cnn(C)c2)C1=O 83092969 BBIBYSAYNLHOSK-CQSZACIVSA-N 310.467 1.991 0 40 DDAB COC(=O)c1ncn(CC(=O)N(Cc2ccccc2)C2CC2)n1 78995421 RLABJUHHHXJWBG-UHFFFAOYSA-N 314.345 1.256 0 40 DDAB O=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C1=O 1573051 JTXHEQJZBKOGHR-ZDUSSCGKSA-N 320.389 1.322 0 40 DDAB Cn1cc(OC[C@@H](O)CNC(C)(C)C)c2ccccc2c1=O 2019998 TWVUMMQUXMYOOH-LBPRGKRZSA-N 304.390 1.666 0 40 DDAB in-man CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O 6951294 XLSVOYNLSJQONI-WEVVVXLNSA-N 321.289 1.525 0 40 DDAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cn1 25291319 WLCLTWICFMLQLH-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB Cc1ncc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 106905434 ULQSIHJPHNHPHM-NWDGAFQWSA-N 310.423 1.114 0 40 DDAB O=C(COC(=O)c1cnccn1)N[C@H]1CCCc2ccccc21 3221086 MPZGWORVMASPRR-AWEZNQCLSA-N 311.341 1.827 0 40 DDAB Nn1c(SCC(=O)NC2CCCCC2)nnc1C(F)(F)F 8140716 PHKFDNSUGQNKEF-UHFFFAOYSA-N 323.344 1.552 0 40 DDAB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCOCC2)c(C)c1 8496747 HLRNMMCIRJAZRM-MRXNPFEDSA-N 320.433 1.909 0 40 DDAB CC(=O)c1cccc(NC(=S)NCCCN2CCOCC2)c1 25394394 YKWPIUXBKJTVDL-UHFFFAOYSA-N 321.446 1.898 0 40 DDAB O=S(=O)(NC1CCNCC1)c1cccc(Br)c1 34957422 JLNVMIDVLBQIBJ-UHFFFAOYSA-N 319.224 1.479 0 40 DDAB Cc1cccc(OCCCNC(=O)N2CCC(C(N)=O)CC2)c1 26279169 DMYYTIUDARWUFL-UHFFFAOYSA-N 319.405 1.671 0 40 DDAB CS(=O)(=O)N[C@H]1CCN([C@H]2CCc3c(F)cc(F)cc32)C1 108128248 XXCRPYKMSIIDBG-HZMBPMFUSA-N 316.373 1.576 0 40 DDAB CN1CCN(C[C@@H](O)COC[C@@H]2CCCO2)c2ccc(F)cc21 108126145 VMOPSDALXRPRQF-CABCVRRESA-N 324.396 1.638 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1cccs1)NC(=O)N2C 35529449 HMVDYXHQRZXJRR-LBPRGKRZSA-N 307.375 1.187 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCc2cccc(Cl)c2)CC1 57655120 XVKGUVAGFXHRBK-ZDUSSCGKSA-N 310.825 1.798 0 40 DDAB O=C1CN(c2ccc(NC(=O)c3cccs3)cn2)CCN1 27270650 VCKOPEAAEQWNGF-UHFFFAOYSA-N 302.359 1.332 0 40 DDAB NC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958511 CVHARKYIQWCMOP-NWDGAFQWSA-N 301.312 1.439 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCO3)no1 10028852 ITDLPOPAEWJOBR-SECBINFHSA-N 318.285 1.896 0 40 DDAB Cc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 21872017 WIYJPMCHODNZGT-ZDUSSCGKSA-N 312.435 1.922 0 40 DDAB O=C1CC[C@@H](C(=O)n2cccc/c2=N\C2CCCCC2)CN1 48278882 CBIMWGXKRAGZGN-PETKRDDUSA-N 301.390 1.888 0 40 DDAB O=C(Cn1cnnn1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166762 VQVUQXLECYVETG-GJZGRUSLSA-N 315.352 1.749 0 40 DDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCn1ccnc1 44889960 VSEUZJWLJVAMOL-KRWDZBQOSA-N 324.384 1.964 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1N(C)C 44954693 CLUZWCWZDGYZEH-LBPRGKRZSA-N 302.382 1.232 0 40 DDAB O=C(NC[C@H](O)COc1cccc(F)c1)Nc1cccnc1 44969946 XYMVMRXQGLGCIV-ZDUSSCGKSA-N 305.309 1.782 0 40 DDAB Cc1nc(CNC(=O)NCc2cccnc2N(C)C)cs1 45343323 VOVLMQMSMMPQLW-UHFFFAOYSA-N 305.407 1.912 0 40 DDAB C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc2c(c1)OCCO2 48354508 BWBPQFXBPCULNI-LLVKDONJSA-N 314.341 1.648 0 40 DDAB O=C(Cc1ccc2c(c1)CCCC2)N[C@H]1CCS(=O)(=O)C1 36764430 UFUUHYFGHJKYGV-HNNXBMFYSA-N 307.415 1.411 0 40 DDAB CCN1CCN([C@@H](C)C(=O)NCc2ccc(OC)cc2)CC1 22585923 SFIDVRDSNBCKTJ-AWEZNQCLSA-N 305.422 1.337 0 40 DDAB c1cnc(N2CCN(Cn3nccc3-c3cccnc3)CC2)nc1 60355674 JMHUCWKDZAFKNN-UHFFFAOYSA-N 321.388 1.515 0 40 DDAB COc1ccc(C2(C(=O)NCCNC(C)=O)CCCC2)cc1 60479559 BTKCBSMTXYHYCE-UHFFFAOYSA-N 304.390 1.759 0 40 DDAB CCN(CCC(=O)OC)S(=O)(=O)c1ccc(OC)cc1 38024884 JESRELJZWRNTAH-UHFFFAOYSA-N 301.364 1.269 0 40 DDAB CCCn1c(SCC(=O)N(C)c2ccccc2)n[nH]c1=O 3536165 IRXCKYYSRWQXAI-UHFFFAOYSA-N 306.391 1.737 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCNC1 84200231 GUSGLHDTRSXMKE-QWHCGFSZSA-N 311.426 1.502 0 40 DDAB in-vitro C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[S@](C)=O 97143142 TXARXVBCFMZPOM-AVIFXLABSA-N 324.446 1.973 0 40 DDAB Cc1ocnc1C(=O)N1CCN(c2ccncc2Cl)CC1 95437757 AIDXBOMYMRXMLV-UHFFFAOYSA-N 306.753 1.994 0 40 DDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 4364060 UKCSOLHQUDMBAN-UHFFFAOYSA-N 318.826 1.877 0 40 DDAB CC(=O)NCCC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 4339311 LPGAYCDJECLIBZ-QMMMGPOBSA-N 313.741 1.131 0 40 DDAB Cc1nnc([C@@H](C)N2CCC(C(=O)N3CCOCC3)CC2)o1 65474486 GQDHQJYXNUVDPB-LLVKDONJSA-N 308.382 1.010 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c2cccnc12 65404172 GDWGCNIAFWGIDT-UHFFFAOYSA-N 305.403 1.479 0 40 DDAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@@H]1CCCO1 14092776 CFRPPTZXXVHKIL-RYUDHWBXSA-N 324.450 1.780 0 40 DDAB C[C@@H]1CN(CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C[C@@H](C)O1 14142058 OMTCFOMPYVCZTA-XNJGSVPQSA-N 323.437 1.944 0 40 DDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCCCCCC1 9364279 YBDGGWJNOMOOHI-UHFFFAOYSA-N 315.377 1.222 0 40 DDAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1OCCc2ccccc21 97107582 XVHYFWRTOJCLNY-INIZCTEOSA-N 323.352 1.786 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(Br)n1 72343922 LTRPPYHGHVLXLZ-SECBINFHSA-N 305.197 1.941 0 40 DDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(F)ccc1Cl 66579498 JBOATDKTDSZKIA-MRVPVSSYSA-N 318.761 1.438 0 40 DDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc[nH]1 6879892 RKZIRWZLIFTOMX-KRWDZBQOSA-N 309.325 1.591 0 40 DDAB COc1ccc(CN(C)C(=O)c2ccc(=O)[nH]c2)cc1OC 71794656 WCZVNQNJLODCCK-UHFFFAOYSA-N 302.330 1.664 0 40 DDAB C[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H](C)O1 15254709 KCTMWYHYZLUKQU-ZIAGYGMSSA-N 301.390 1.732 0 40 DDAB Cc1cc2c(N3CCN(C(=O)CN(C)C)CC3)ncnc2s1 90070295 KQROIYHQUFLBFC-UHFFFAOYSA-N 319.434 1.210 0 40 DDAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 67517711 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COC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)c2ccccc2O1 69434331 WYSJBLVSYPNPHP-HNNXBMFYSA-N 312.325 1.971 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCCN2C(=O)NC(C)(C)C2=O)c1 69490827 CNDMAIIPHALWQV-NWDGAFQWSA-N 307.398 1.061 0 40 DDAB O=C(NO[C@@H]1CCCCO1)C1CCN(c2cnccn2)CC1 69451610 IKSNPBDQCJDVDM-CQSZACIVSA-N 306.366 1.267 0 40 DDAB C[C@@H](NC(=O)CSCCS(C)(=O)=O)c1ccccc1 69670402 PNLLPMPCBQKZDQ-LLVKDONJSA-N 301.433 1.642 0 40 DDAB C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 97373222 XJZSKRMWCGFBKW-SWLSCSKDSA-N 312.435 1.594 0 40 DDAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9699785 ZGHWOLSAGCZRIG-CYBMUJFWSA-N 323.352 1.777 0 40 DDAB C[C@@H](NC(=O)Cc1ccccc1Br)C(=O)N(C)C 69901146 DLSREGMFHKJMSS-SECBINFHSA-N 313.195 1.585 0 40 DDAB CC(=O)[C@H]1CC(C(=O)NC2=NCCS2)=NN1c1ccccc1 72067436 QTMLRYAXZZCMDY-CYBMUJFWSA-N 316.386 1.429 0 40 DDAB CNC(=O)c1sc2nc(Cc3cnoc3)[nH]c(=O)c2c1C 95365100 VSHQUQNTCIWFKV-UHFFFAOYSA-N 304.331 1.231 0 40 DDAB CN(CC(=O)NCC1CCC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 84091129 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Cn1c2ccccc2n2c(SCCS(C)(=O)=O)nnc12 75106480 MKMUAXWEXGIOGQ-UHFFFAOYSA-N 310.404 1.358 0 40 DDAB Cc1nnc2n1C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 65563868 IYTZFICBORWGBG-ZDUSSCGKSA-N 320.418 1.095 0 40 DDAB Cn1nccc1[C@H]1CNC[C@@]12CCCN(Cc1ccccc1)C2=O 306130601 JKSIHELSADEZMR-APWZRJJASA-N 324.428 1.916 0 40 DDAB Cn1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1=O 1002214827 QKXUBAJUDOOUGC-UHFFFAOYSA-N 303.406 1.266 0 40 DDAB O=C(NCCn1cccnc1=O)c1cc(-c2cccs2)[nH]n1 675008401 WALVRTYYRHFVAV-UHFFFAOYSA-N 315.358 1.125 0 40 DDAB CCN1CCN(CCC(=O)N(C)[C@H]2CCC[C@H]2SC)CC1 74195733 LJJKQKYXXSIURJ-LSDHHAIUSA-N 313.511 1.757 0 40 DDAB NC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218626816 JIXOLIWQMNRVJR-OWCLPIDISA-N 320.389 1.422 0 40 DDAB COC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218537063 BVEMMXPFHBPUFB-GVXVVHGQSA-N 317.407 1.255 0 40 DDAB Cc1nc(C(=O)N(C)C)ccc1C(=O)N[C@@H](CN)C1CCCC1 562980809 LBHDUSIBEIUYHI-HNNXBMFYSA-N 318.421 1.339 0 40 DDAB CO[C@H]1CN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CCO1 569598753 LNLKQSWOJDKGRO-CYBMUJFWSA-N 320.324 1.160 0 40 DDAB COc1ccnc(CN2CCCC[C@@H]2Cn2ccnn2)c1OC 225598246 READUZLBTIFLET-CYBMUJFWSA-N 317.393 1.745 0 40 DDAB COCCc1nc(N)cc(Nc2ccccc2C(=O)OC)n1 49467755 VIQLZEKCBUKBHA-UHFFFAOYSA-N 302.334 1.778 0 40 DDAB CC(=O)Nc1cccc(NC(=O)COc2c(C)[nH]ccc2=O)c1 40287667 IIAIPZGUFNWDBV-UHFFFAOYSA-N 315.329 1.659 0 40 DDAB CC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCN1CC(F)F 195554940 MEBGBWUECPWZNR-ZFWWWQNUSA-N 311.376 1.874 0 40 DDAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccco2)CC1 85468079 IPXMAYWLNQAHMZ-AWEZNQCLSA-N 305.422 1.768 0 40 DDAB CSCC[C@@H](C)NC(=O)N1CCN(Cc2ccon2)CC1 96440502 LYAOKBRIQZQVQS-GFCCVEGCSA-N 312.439 1.643 0 40 DDAB CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1cccs1)C2 96108291 BGMQBRZWPOXWBB-DOMZBBRYSA-N 309.435 1.468 0 40 DDAB c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)c1 96058036 QZGKZIDIKZMWLJ-GVDBMIGSSA-N 305.422 1.932 0 40 DDAB CN(C)C(=O)N[C@@H]1COCCC12CCN(Cc1ccco1)CC2 96219757 NHHIDXYXNZWRNY-OAHLLOKOSA-N 321.421 1.922 0 40 DDAB Cc1cnc2c(c1)NC(=O)CN2C(=O)c1cnn(CC(C)C)c1 97237731 WURILHRHFVVXGD-UHFFFAOYSA-N 313.361 1.841 0 40 DDAB Cc1ccc(CN2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)s1 96245246 PQUZWWYAAOWQJF-WFASDCNBSA-N 316.430 1.885 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccs2)C1 96057665 RFBPGXYBWMBODJ-CYZMBNFOSA-N 320.414 1.646 0 40 DDAB COCC(=O)N1Cc2cncn2[C@@H](COc2ncccc2F)C1 247826914 JPNWFFCQJDARFE-GFCCVEGCSA-N 320.324 1.026 0 40 DDAB COc1cccc(CC(=O)N2CC3(C[C@@H](OC)CS3)C2)c1 247891964 MVLFJHHZIXLPFA-CQSZACIVSA-N 307.415 1.971 0 40 DDAB O=C(c1cccnc1)N1C[C@H]2C(=O)N(c3ccccc3)C[C@H]2C1 248006842 UBIUSSSPJOIYCI-GDBMZVCRSA-N 307.353 1.817 0 40 DDAB CCN1CCC(N2CCO[C@@H](c3nc(C)cc(O)n3)C2)CC1 257216396 CUKACMZIVZPRBH-CQSZACIVSA-N 306.410 1.348 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc(C)n(C)c2=O)CC[C@@]12CCCO2 257288522 PUMLVBARNPUGCW-YOEHRIQHSA-N 320.389 1.104 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2cccnc2-c2cncs2)C1 257335621 YLBYHGFNWZJKAQ-SNVBAGLBSA-N 316.386 1.543 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 257325139 WRQSWNMMQJZVEW-CYBMUJFWSA-N 312.373 1.896 0 40 DDAB COc1ccc([C@@H]2CN(C(=O)CCC(=O)O)CCN2C)cc1 257301599 RZBWFDWMYHRCDO-AWEZNQCLSA-N 306.362 1.375 0 40 DDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccoc1 585288339 VZRMNYBVHWKLTK-SUMWQHHRSA-N 320.389 1.958 0 40 DDAB O[C@@H](COCc1ccc(Cl)cc1)CN1CC(n2cccn2)C1 69416601 AJYCWJCOYCEGHN-MRXNPFEDSA-N 321.808 1.971 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 70008667 QAEBXWCEQIZQSE-WBVHZDCISA-N 320.433 1.507 0 40 DDAB CN(C)c1cccc(C(=O)NCCNC(=O)c2ccccc2)c1 32908530 VONMNNKGJKOXAA-UHFFFAOYSA-N 311.385 1.912 0 40 DDAB C[C@@H](CNC(=O)NC[C@@H]1CCCO1)N(C)Cc1ccccc1 72277994 LLRVJVNCTDDERH-HOCLYGCPSA-N 305.422 1.985 0 40 DDAB c1ccc(Cn2nnnc2CN2CCO[C@H]3CCCC[C@@H]32)cc1 48312749 ZDQVCDBWJITTHO-HOTGVXAUSA-N 313.405 1.865 0 40 DDAB C[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)N(C)C1CC1 57710165 LTCGHINFBIDCDH-OCCSQVGLSA-N 307.438 1.234 0 40 DDAB CCOc1cccc2c1OCC(C(=O)NN1CCOCC1)=C2 78763878 NVXKVJNAHRTMSM-UHFFFAOYSA-N 304.346 1.225 0 40 DDAB COCc1ccc(C(=O)NCc2nnc(S)n2C(C)C)o1 108898880 ZLRFLXUBQDPEHQ-UHFFFAOYSA-N 310.379 1.817 0 40 DDAB Cc1nc(CN(C)C2CCN(S(C)(=O)=O)CC2)oc1C 95413216 YEIQJZRUHYHCAC-UHFFFAOYSA-N 301.412 1.147 0 40 DDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 8103705 XHOCXMICKATIKN-FLIBITNWSA-N 324.358 1.469 0 40 DDAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)COC)[C@@H]1CO 1772594930 HSSVHCMZVXSMGW-RBSFLKMASA-N 300.443 1.210 0 40 DDAB CCC(=O)N1C(=O)[C@@H](C)[C@]23c4ccccc4C(=O)N2CCCN13 5662637 RRQUVGMUTHUYRK-DIFFPNOSSA-N 313.357 1.331 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCCOC2)[nH]n1 12116838 RRQMDBBFMTUMRT-LLVKDONJSA-N 303.366 1.336 0 40 DDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 19293956 XVSBDUUMWODMKE-LBPRGKRZSA-N 316.336 1.192 0 40 DDAB CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(CC)CC1 19500675 VPLJGRZZUPJXIU-MRXNPFEDSA-N 314.437 1.810 0 40 DDAB Cc1ncc(CN2CCO[C@H](C(=O)NC3CCCC3)C2)s1 19750394 NANCBEKNKSHBNI-AWEZNQCLSA-N 309.435 1.711 0 40 DDAB O=C(OCC(=O)N1CCOCC1)c1cc(F)c(F)cc1Cl 3229903 QRXKOGRGWMRBFN-UHFFFAOYSA-N 319.691 1.634 0 40 DDAB CSCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3350662 LPLKUEHGBZCWQD-UHFFFAOYSA-N 302.421 1.629 0 40 DDAB O=C([C@H]1CCCN(c2ncncc2F)C1)N1CCSCC1 1888844669 WYIJDFXMHDRJFN-NSHDSACASA-N 310.398 1.408 0 40 DDAB Cn1nc(C2CCN(c3ncc(F)cn3)CC2)n(C2CC2)c1=O 1888853223 UWLJWDJOGKMRAB-UHFFFAOYSA-N 318.356 1.230 0 40 DDAB O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)OCCO2 5210050 XOXMBFYCCVMXMN-UHFFFAOYSA-N 315.373 1.861 0 40 DDAB CC(C)N1CCO[C@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@@H]2C1 1565547491 RWXVBFUWWDNNBV-OCCSQVGLSA-N 316.392 1.989 0 40 DDAB CSc1nnc(C)c(=O)n1COC(=O)c1cccc(C)c1 4495773 LLZVIJATBLJYKV-UHFFFAOYSA-N 305.359 1.792 0 40 DDAB Cc1cc(=O)n(CC(=O)Nc2nc3ccccc3s2)cn1 36703733 NCNOFKRHSWCVHE-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB Cc1cc(OCC(=O)NCc2nncn2C)ccc1C(C)C 40497607 YHLBITOTECZGGH-UHFFFAOYSA-N 302.378 1.942 0 40 DDAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)NCc1ccco1 31844997 BYHTWWREWWWDIO-UHFFFAOYSA-N 320.732 1.975 0 40 DDAB Cc1ncsc1C(=O)NCCOc1ccc2c(c1)OCO2 40541322 WYWOUDPIXFPWHS-UHFFFAOYSA-N 306.343 1.989 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1-n1cccn1 40548574 FZVNJZGOQNPOHL-QWHCGFSZSA-N 312.373 1.973 0 40 DDAB COC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40543595 LMKIBPIDCOKMGK-MNOVXSKESA-N 312.801 1.498 0 40 DDAB Cc1ccc2cc(C(=O)NCCCN(C)S(C)(=O)=O)[nH]c2c1 40515368 LQMUGXJXJOLBMD-UHFFFAOYSA-N 323.418 1.488 0 40 DDAB O=C(CCCc1nc2ccccc2o1)N[C@H]1CCS(=O)(=O)C1 32149309 QFSJXSSJNTVKTG-NSHDSACASA-N 322.386 1.454 0 40 DDAB O=C(CN1C(=O)CSc2ccccc21)NC[C@@H]1CCOC1 41373490 XHWFNHLMPAEHRB-NSHDSACASA-N 306.387 1.278 0 40 DDAB C[C@H](NC(=O)COC(=O)c1ccc[nH]c1=O)[C@H]1C[C@H]2CC[C@H]1C2 103411614 IKOIDCGXVKUANL-ZJQBRPOHSA-N 318.373 1.473 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(C)=O)cc1 324263 PKCCGIMOTGRKBT-AWEZNQCLSA-N 318.329 1.803 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)CCc1cc(OC)cc(OC)c1 78548648 POIZIEWXDYYPQD-OAHLLOKOSA-N 320.389 1.373 0 40 DDAB CC(C)(C)OC[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 489221 SKKYDNDIAARCMO-ZNMIVQPWSA-N 320.433 1.443 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)CCCn2cncn2)c1 71872056 AOBXSXCQKMYYTI-CQSZACIVSA-N 302.382 1.254 0 40 DDAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 810109 APYXKOUTIIAMBK-VIFPVBQESA-N 302.783 1.226 0 40 DDAB C[S@](=O)Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1 42648728 KWDILJAKRDQPGM-JOCHJYFZSA-N 318.402 1.033 0 40 DDAB CN(CC1CC1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 47904059 GZVOKDRMNUSQEO-UHFFFAOYSA-N 308.403 1.491 0 40 DDAB Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1 4355617 LJESWLSGGLPOFT-UHFFFAOYSA-N 301.298 1.744 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 4904384 XBWCQLPOYGYWMW-RFGFWPKPSA-N 319.313 1.297 0 40 DDAB C[C@@H](CCn1cncn1)NS(=O)(=O)c1cncc(Cl)c1 95437328 CYZCVJOANJJBPA-VIFPVBQESA-N 315.786 1.084 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)o1 25150643 CPVWPDVCQXVSJL-MNOVXSKESA-N 314.407 1.838 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12 71830149 FHAMCYWKXYROKF-DOMZBBRYSA-N 311.385 1.890 0 40 DDAB COc1ccc(C(=O)N[C@]2(C(=O)O)CCSC2)cc1OC 43503517 NZJCAWHFZUXLTM-CQSZACIVSA-N 311.359 1.394 0 40 DDAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOCC1 3254105 VRLGSIKDPAYUOK-CYBMUJFWSA-N 318.417 1.961 0 40 DDAB Cc1nnc([C@H](C)N(C)C[C@@H]2CCCN2c2cccnn2)o1 71860050 LNWHBGDQHIRKBB-AAEUAGOBSA-N 302.382 1.830 0 40 DDAB COCCn1nc(C(=O)NC[C@@H](C)c2ccccc2)ccc1=O 25714624 DWGQOSCLVPOMRM-CYBMUJFWSA-N 315.373 1.423 0 40 DDAB CCOC(=O)C(=CNc1ccc2nn[nH]c2c1)C(=O)OCC 100254730 PGZHEJJSLIFJCM-UHFFFAOYSA-N 304.306 1.380 0 40 DDAB COc1ccccc1[C@H](C)N(C)C(=O)CCNS(C)(=O)=O 48286974 WFWRYRWKLOOTRS-NSHDSACASA-N 314.407 1.154 0 40 DDAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc[nH]c1=O 12734568 YBZVTKIEVYIRBY-UHFFFAOYSA-N 304.375 1.680 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@@H]1C(N)=O 44871342 OIIOEIMXMNGSAQ-UKRRQHHQSA-N 303.406 1.546 0 40 DDAB CCS(=O)(=O)Cc1nc(-c2ccc(OC)c(OC)c2)no1 44938266 YDTOCMSVNJCGJJ-UHFFFAOYSA-N 312.347 1.689 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)C1 44910664 SOCBWMOUTZXPRC-OLZOCXBDSA-N 315.439 1.449 0 40 DDAB Cc1csc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 44913391 VKWNSEJZISLEJH-QMMMGPOBSA-N 321.324 1.479 0 40 DDAB Cc1cnn(CCC(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C)c1 71894188 SUBSCMAQLKVZTI-AWEZNQCLSA-N 320.437 1.877 0 40 DDAB CC(C)[C@@H](C(=O)NCc1ccncc1)N1C[C@H](C)O[C@H](C)C1 58424166 OADDOMDFUWXDJV-LZWOXQAQSA-N 305.422 1.832 0 40 DDAB Cc1cccc(OCCCNC(=O)N2CC[C@@H](C(N)=O)C2)c1 45274297 IANKGVUVPRQALW-CYBMUJFWSA-N 305.378 1.281 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 3355934 YMQWMSXAECMZQU-UHFFFAOYSA-N 311.359 1.375 0 40 DDAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)n1 107266312 OQKUOLNIFWCNPX-BRWVUGGUSA-N 315.417 1.602 0 40 DDAB COCCCN(CC(N)=O)Cc1cccc2c1OCCCO2 48331482 XKWMEORTPWJNQQ-UHFFFAOYSA-N 308.378 1.172 0 40 DDAB CC(C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 11539988 YMDZEJSVKLRTRO-UHFFFAOYSA-N 302.421 1.603 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NC2CC2)c1 22620655 YVJIIXISLCZHSD-ZDUSSCGKSA-N 324.402 1.036 0 40 DDAB CN1C[C@H](C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O 95435448 ZRJHADASVYHNIM-IMJJTQAJSA-N 316.401 1.749 0 40 DDAB CC1CCN(S(=O)(=O)NCCN2CCCC[C@@H]2C)CC1 48905379 NVSXFQWEXVZMHC-AWEZNQCLSA-N 303.472 1.427 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2C[C@@H]2C)cc1OC 13182554 FSNWQCIXSAIILV-WCQGTBRESA-N 307.346 1.992 0 40 DDAB COc1cc2cc(C(=O)NCCCN(C)C)[nH]c2cc1OC 5266701 NVLQLRVNYBWJDB-UHFFFAOYSA-N 305.378 1.867 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1F 5241814 XQHQZODGZGFTTB-UHFFFAOYSA-N 312.304 1.959 0 40 DDAB C[C@H]1COCCN1C(=O)c1ccc2c(=O)[nH]c(S)nc2c1 65493218 CJDTVXNAIYUDBM-QMMMGPOBSA-N 305.359 1.073 0 40 DDAB CCCc1noc(CCC(=O)N2CCCN(C(C)=O)CC2)n1 65574940 OUFPMIBKPIMENI-UHFFFAOYSA-N 308.382 1.036 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)CN1CCSC1=O 14187182 ZKEPXANHKLDAAA-UHFFFAOYSA-N 308.359 1.971 0 40 DDAB CC(=O)Nc1cccc(OCC(=O)NC(=O)NC(C)(C)C)c1 14183368 OMVVFFAKGBFLDZ-UHFFFAOYSA-N 307.350 1.648 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 96006771 MOJBGUOBUIHDCG-GJZGRUSLSA-N 323.414 1.754 0 40 DDAB CN(C[C@@H]1CN(CCc2ccccn2)CCO1)c1cccnn1 83859270 BNLYFDOEPCZYHD-MRXNPFEDSA-N 313.405 1.251 0 40 DDAB c1ccc(C2=NN(c3nnn[nH]3)CN(c3ccccc3)N2)cc1 5682131 ZXXAJCRCSNUWNY-UHFFFAOYSA-N 306.333 1.350 0 40 DDAB C[C@H]1CN(CCC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 16333527 AFJZQAUFRDQTGO-BETUJISGSA-N 320.389 1.896 0 40 DDAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(N)=O)CC1 8317542 ZILCHFOLWJVNDL-GFCCVEGCSA-N 321.396 1.370 0 40 DDAB CN(CC(=O)N1CCCC1)C(=O)CCc1cccc(F)c1F 69491198 IEJVGEBWRFZZAH-UHFFFAOYSA-N 310.344 1.978 0 40 DDAB O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N1CCSCC1 69475046 CIOSDGYEFVUEBT-CYBMUJFWSA-N 305.403 1.550 0 40 DDAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCCC[C@H]1CC(N)=O 69461243 VXIUQRAFBUVNKN-QWRGUYRKSA-N 323.418 1.123 0 40 DDAB O=C(CSc1nnnn1C1CCOCC1)NCc1ccco1 69580726 RFUYUKAREFRQDH-UHFFFAOYSA-N 323.378 1.026 0 40 DDAB COC(=O)COC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 17519376 KJMZPDOFZBILRU-UHFFFAOYSA-N 322.342 1.042 0 40 DDAB COC(=O)CNC(=O)c1csc(CCc2ccccc2)n1 69601790 RUEKSJHDGZRKOP-UHFFFAOYSA-N 304.371 1.831 0 40 DDAB CC(C)c1nnc2n1CCN(C(=O)[C@H](C)OC[C@H]1CCCO1)C2 69778327 NMALJVRFNWNQJV-QWHCGFSZSA-N 322.409 1.328 0 40 DDAB CN1CCN(CCCCNCc2c[nH]nc2C(C)(C)C)CC1 97159407 FQKOWJORFPDYJS-UHFFFAOYSA-N 307.486 1.824 0 40 DDAB CCCCc1ccc(CC(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1 97162847 DODQMWGVDNTAOQ-WBMJQRKESA-N 307.390 1.610 0 40 DDAB NC(=O)[C@H]1CCCN1C[C@@H](O)COCc1ccc(Cl)cc1 72319278 UWJCXGCHBLFHMF-ZIAGYGMSSA-N 312.797 1.167 0 40 DDAB Cn1c(SCc2nc(C3CC3)n[nH]2)nnc1-c1cnccn1 95986603 VHJMGJFVNPJICZ-UHFFFAOYSA-N 314.378 1.560 0 40 DDAB Cc1ccc(OCCCn2nccc2C(=O)NCCO)cc1C 95941865 BCCJPTHYTCCIHL-UHFFFAOYSA-N 317.389 1.691 0 40 DDAB Cc1cccc(NC(=O)CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)n1 95987228 GYAQJOHCDSSAJP-QAPCUYQASA-N 311.385 1.919 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccn1 9945470 PVAHTLOSUJYWTH-SNVBAGLBSA-N 323.349 1.526 0 40 DDAB CSCc1cc(F)ccc1CNC(=O)c1nccnc1N 89493754 IGQNXSZMYXPRBI-UHFFFAOYSA-N 306.366 1.991 0 40 DDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3noc(C)n3)C2)n1 75582533 WDCKJCKHJQWWQW-AWEZNQCLSA-N 317.393 1.988 0 40 DDAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(CN(C)C)ccn1 176938551 AMSPSEDSQMFDJW-CQSZACIVSA-N 318.421 1.873 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCOc3c(ncn(C)c3=O)C2)c1 306135451 ORBIXZCPWLVNCM-UHFFFAOYSA-N 313.357 1.432 0 40 DDAB O=C(NCC(F)(F)F)[C@@H]1COCC(=O)N1Cc1ccccc1 70641554 FFRSESMPFFMNPH-NSHDSACASA-N 316.279 1.093 0 40 DDAB Cc1cc2n(n1)CCN(S(=O)(=O)NCc1ccccc1)C2 72128980 GTRJHOHLMPJSEM-UHFFFAOYSA-N 306.391 1.042 0 40 DDAB COCCN(CC(F)F)C(=O)N[C@H]1CCN(C2CCCC2)C1 76984128 KKIQBGMRRGMARK-LBPRGKRZSA-N 319.396 1.926 0 40 DDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(-n2cnnc2)c1 32647007 KTYFYDZZZZBTCG-UHFFFAOYSA-N 321.300 1.084 0 40 DDAB COC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218006284 QMVBXCJJABPUFJ-PWSUYJOCSA-N 319.835 1.805 0 40 DDAB C[C@]1(C(=O)NC2CCCC2)CCCN1C(=O)c1csnn1 72355302 ZCRDBHOFOSDORY-CQSZACIVSA-N 308.407 1.592 0 40 DDAB O=C1CCSC[C@H](C(=O)Nc2cccc(OC(F)F)c2)N1 75171488 KXJIEBZBHBMYGM-SNVBAGLBSA-N 316.329 1.848 0 40 DDAB CCOC[C@H](O)CN1CCN([C@H](C)c2cccc(OC)c2)CC1 79099922 QVSBGGJIOTXFKR-NVXWUHKLSA-N 322.449 1.771 0 40 DDAB Cn1c(C(=O)N2CCO[C@](C)(C(N)=O)C2)cc2cc(F)ccc21 72379726 OLRAEFWMYQILPD-INIZCTEOSA-N 319.336 1.034 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)NCCS(=O)(=O)C(C)(C)C)n1 79051946 UYFJAFCRMCXAJB-LBPRGKRZSA-N 315.439 1.390 0 40 DDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)CC 217408798 RPHHIWMCYHELRB-SECBINFHSA-N 300.380 1.893 0 40 DDAB O=C(O)c1cn([C@H]2CCN(c3ccc4ccccc4n3)C2)nn1 562980651 GJXWHKSPSPBNGT-LBPRGKRZSA-N 309.329 1.976 0 40 DDAB Cc1cccc(O[C@H]2COCCN(C(=O)C3CCOCC3)C2)n1 85435941 BBXQBXNMSJEFOV-OAHLLOKOSA-N 320.389 1.423 0 40 DDAB biogenic,in-vitro Cc1nnsc1C(=O)NC[C@@]1(O)CCc2ccccc2C1 85559759 WEJTVNMCQLJULN-OAHLLOKOSA-N 303.387 1.496 0 40 DDAB c1ccc(CCCO[C@@H]2CCN(c3ccc4nnnn4n3)C2)cc1 80232481 WBUKYQLHDDOISW-OAHLLOKOSA-N 324.388 1.747 0 40 DDAB COCCN1[C@@H](C)CN(C(=O)[C@H](N)c2ccccc2)C[C@H]1C 195554742 KZOQRNIXCGSPLK-IJEWVQPXSA-N 305.422 1.254 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO 225390790 AGIJWTBWJDPQEN-KDOFPFPSSA-N 313.401 1.981 0 40 DDAB COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222971760 FFGNMPWINQPMGB-GFCCVEGCSA-N 308.378 1.195 0 40 DDAB CCO[C@H](C)c1noc(CN2CCN(C(=O)C=C(C)C)CC2)n1 81172853 OJGZMPWIKMMNCY-CYBMUJFWSA-N 322.409 1.778 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CN(C)C[C@@H]2c2cccs2)nn1C 227150542 FLZMKLBYTGRUQT-OLZOCXBDSA-N 318.446 1.865 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 63490295 ZNQBJGFISXNOQA-ZDUSSCGKSA-N 314.393 1.122 0 40 DDAB CCOc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)cc1 224285329 YRBWMNGRQLIWHQ-UHFFFAOYSA-N 309.347 1.685 0 40 DDAB COC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)c2ccccc2O1 225888215 QFAYBRKYKRETON-ZDUSSCGKSA-N 301.302 1.001 0 40 DDAB CN1C[C@H](C(=O)NCCNc2ccc3ccccc3n2)CC1=O 96436756 MGNGQWCDHMACBM-CYBMUJFWSA-N 312.373 1.241 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 96182316 AIVSRHATTSFUDZ-GASCZTMLSA-N 309.373 1.076 0 40 DDAB CCc1cnc(N2CCO[C@@H]3CN(CC4CC4)CC[C@@H]3C2)nc1 96249779 OXECJQQBTHMKMZ-IAGOWNOFSA-N 316.449 1.976 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccncc2)N1Cc1ccncc1 96055691 WUIWJLAUKZMDDR-JKSUJKDBSA-N 322.368 1.492 0 40 DDAB COCCO[C@H]1CCN([C@H]2CCOC2)[C@H]1Cc1cccnc1 96200526 ORLZHUNKLAPVMW-ULQDDVLXSA-N 306.406 1.519 0 40 DDAB Cn1cc(N2CC[C@]3(CCCN(C4CCOCC4)C3)C2=O)cn1 96224628 CAPFXKSPNGCHDZ-KRWDZBQOSA-N 318.421 1.418 0 40 DDAB COc1ccc(CN(Cc2cc(C)on2)S(C)(=O)=O)cc1 92334356 CMUJASUFXZQJJF-UHFFFAOYSA-N 310.375 1.953 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H](O)c1ccccc1 96025838 XBSDHORZIIHISA-CQSZACIVSA-N 323.418 1.439 0 40 DDAB O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96066947 YYSSQODFUHREPI-CQSZACIVSA-N 313.405 1.579 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 96454855 WXMUSFFVFSSZOK-HBWSCVEGSA-N 308.403 1.240 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3O2)n1 96219671 OZUOSTNBYABENE-ZMLRMANQSA-N 305.313 1.144 0 40 DDAB C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@@H](O)CO 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FMCGDLSPQJSHRI-ZDUSSCGKSA-N 301.394 1.703 0 40 DDAB CO[C@H]1CN(C(=O)CCc2c(C)noc2C)C[C@@]12CCCO2 257259980 LAWFRODMNMMJKU-HOCLYGCPSA-N 308.378 1.630 0 40 DDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cc[nH]n2)n1 257315503 VBSCDWGVWPXZDJ-HNNXBMFYSA-N 300.410 1.907 0 40 DDAB CNc1ncccc1CN1CCO[C@H](c2nc(C)cc(O)n2)C1 257338971 YZQSPOYQGDHVOM-ZDUSSCGKSA-N 315.377 1.501 0 40 DDAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 257229867 FZTVLMMLCQNQQX-CYBMUJFWSA-N 300.362 1.405 0 40 DDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2Cc2c[nH]nc2C)n1 257268233 MKTRLNBRHRIWBM-AWEZNQCLSA-N 316.409 1.456 0 40 DDAB CCCn1ccnc1CN1CCO[C@@H](c2cc(O)nc(C)n2)C1 257208377 BLYIHQSJKIJTLN-CQSZACIVSA-N 317.393 1.671 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)c(O)n1 257223634 DYGCQGNIZBBZGG-ZDUSSCGKSA-N 316.361 1.351 0 40 DDAB Cc1cc(-c2cc([C@@H]3CCN(S(C)(=O)=O)C3)nc(C)n2)[nH]n1 257230249 GBLPYSFOORNMML-LLVKDONJSA-N 321.406 1.232 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCNC[C@@H]1c1ccccc1 257282176 OSRMHJIBBLCSBJ-CQSZACIVSA-N 320.418 1.064 0 40 DDAB CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2ccno2)n1 257218947 DEZIEKWDONSFLT-HNNXBMFYSA-N 301.350 1.966 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)cn1 257313908 UUQKZWDTUGHNIW-RBSFLKMASA-N 300.362 1.389 0 40 DDAB C[C@H]1CN([C@H](C)C(=O)Nc2sccc2C(N)=O)C[C@@H](C)O1 26462117 JDJACFGJUGCMHZ-KXUCPTDWSA-N 311.407 1.283 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H]1COc2ccccc2O1 26520267 CSNZYLPKUCXVHU-ZDUSSCGKSA-N 316.361 1.402 0 40 DDAB C[C@H](C(=O)Nc1ncn(CC(=O)O)n1)c1ccc(Cl)s1 647782313 GDZFEHDFSMYAKH-LURJTMIESA-N 314.754 1.820 0 40 DDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)c1ccnc(C2CC2)n1 655598946 OJXNPLLHRUJEQV-CYBMUJFWSA-N 312.329 1.175 0 40 DDAB C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2)C[C@H](C)S1=O 573505393 FCWAXFVYTLDDQA-QWRGUYRKSA-N 301.433 1.436 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C=CS(=O)(=O)C1 575424428 AGSVKRNCCZLMRO-JTQLQIEISA-N 321.807 1.237 0 40 DDAB COCCn1cc(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)cn1 585141072 PGHQAWNDHKFGLJ-LLVKDONJSA-N 303.366 1.561 0 40 DDAB CC1(C)C[C@@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@@H]2O1 585291001 KFOPAHATBLACSA-RYIMYRPNSA-N 308.422 1.291 0 40 DDAB CCN1CC[C@@]2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O 585093216 JQKBSAAZBZGJIX-CQSZACIVSA-N 324.331 1.196 0 40 DDAB Cc1noc(C)c1CNC(=O)NCC[S@@](=O)c1ccccc1 69974458 YWMCJNXAIUPLHM-QFIPXVFZSA-N 321.402 1.898 0 40 DDAB CC(=O)N[C@@H](CC(=O)N[C@@H](C(N)=O)C(C)C)c1ccc(C)cc1 69630885 CKQSXYYSTNCSBX-GOEBONIOSA-N 319.405 1.188 0 40 DDAB NS(=O)(=O)N1CCCN(c2nc3ccccc3s2)CC1 69633137 QQMDDLWWQLKGKM-UHFFFAOYSA-N 312.420 1.012 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1Cc1nccn1CC(F)(F)F 71897071 ZBXXQVLJNNOMNP-VHSXEESVSA-N 304.316 1.531 0 40 DDAB COCc1nn(Cc2nccn2Cc2ccccc2)c(=O)o1 97037497 YZGGDEHRBQVCBQ-UHFFFAOYSA-N 300.318 1.276 0 40 DDAB CN1OC2(CCN(C(=O)COc3ccccc3)CC2)CC1=O 1549160950 CCUWZNMQAGYJMZ-UHFFFAOYSA-N 304.346 1.220 0 40 DDAB Cc1cc(C)nc(N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)n1 12115072 UBGCTVYQMQVZEN-HNNXBMFYSA-N 318.421 1.605 0 40 DDAB CN(CC(=O)NC1CC1)Cc1nc(-c2ccc(F)cc2)no1 15367938 PSUSXAOWLHKTOF-UHFFFAOYSA-N 304.325 1.586 0 40 DDAB O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCCCC1 15858481 NPBCRXNEUOZKAR-UHFFFAOYSA-N 322.386 1.379 0 40 DDAB O=C(NCc1ccccc1)c1c(O)nc2sccn2c1=O 16690004 JWCYWIPAZUMMPF-UHFFFAOYSA-N 301.327 1.392 0 40 DDAB COc1cccc(CN2CCC(N3CCN(C)CC3)CC2)c1 19368295 UHBZUEUBAOMFBL-UHFFFAOYSA-N 303.450 1.907 0 40 DDAB COc1cncc(O[C@H]2CCCN(S(=O)(=O)C(C)C)C2)n1 225501770 RTMSAOXCHWULRH-NSHDSACASA-N 315.395 1.067 0 40 DDAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CC=CCC1 245171743 XSZOILOGGVTCGU-OCCSQVGLSA-N 303.358 1.964 0 40 DDAB Cc1ccc(-c2nnc(SC[C@@H]3CNC(=O)O3)n2N)cc1 24752915 ZYYNOSYMQRNDNT-JTQLQIEISA-N 305.363 1.168 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@H]2C[C@@]21C(=O)N1CCCC1 2056224959 IXDGOBXJKUSYNO-YOEHRIQHSA-N 306.406 1.417 0 40 DDAB O=C(N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1)C1(F)CC1 1614930396 QGBQFHZWKWWTLU-INIZCTEOSA-N 317.364 1.929 0 40 DDAB COc1cc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)on1 1565549776 CIIWGFAWQQRNNM-BDJLRTHQSA-N 319.361 1.204 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)CN(C)C(C)C)CC2 1565543980 RHOVJLYINFYJLK-UHFFFAOYSA-N 309.454 1.578 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)c1csnn1)CC2 1565545578 KSIMZSMUUAWMOR-UHFFFAOYSA-N 308.407 1.403 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2C(=O)CS[C@H](C)C2=O)c1 2711102 WNOINSIYVSRSET-LLVKDONJSA-N 306.387 1.732 0 40 DDAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)/C=C/c1ccccc1 575615185 CFSIDOSCKUFLMM-KUCQQTCKSA-N 320.418 1.893 0 40 DDAB COC(=O)[C@@H](C)SC1=NS(=O)(=O)c2cc(F)ccc2N1 12361145 PLMITPNIOXBEIP-ZCFIWIBFSA-N 318.351 1.591 0 40 DDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 488838 CNSGYHNQURHNQW-LDDOYCOJSA-N 313.353 1.532 0 40 DDAB biogenic CC(C)CN1C[C@@H](C(=O)Nc2nnc3ccccn23)CC1=O 30711421 NBTWSLSMBPGHAL-NSHDSACASA-N 301.350 1.172 0 40 DDAB CC(C)CNC(=O)c1nc(COc2ccccc2C(N)=O)no1 40286364 GYWZXPPKCVTFLX-UHFFFAOYSA-N 318.333 1.133 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 193731 UUUIEHQIRWHFLW-AWEZNQCLSA-N 320.345 1.847 0 40 DDAB CC[C@H](C(=O)NCCN1C(=O)CSC1=O)c1ccccc1 40554810 BLSKZSBXRQFEKA-LBPRGKRZSA-N 306.387 1.992 0 40 DDAB Cc1csc(NC(=O)CN2CCN(Cc3ccco3)CC2)n1 40501294 BAWHORRMABGIGB-UHFFFAOYSA-N 320.418 1.801 0 40 DDAB Cc1cc(C)cc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 20678261 HLSMTPGIOLPXFA-AWEZNQCLSA-N 310.419 1.361 0 40 DDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CC=CC1 101572112 CJICLVIFDSFFMB-ZQDZILKHSA-N 314.385 1.266 0 40 DDAB COc1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)c(F)c1 32907763 GBJMWTHSPSUBDF-UHFFFAOYSA-N 318.304 1.951 0 40 DDAB CC1CCN(C(=O)CN(C)S(=O)(=O)c2cccs2)CC1 21898435 CMYJJUOBLRPZEV-UHFFFAOYSA-N 316.448 1.627 0 40 DDAB CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1OC 539500 WAZCXVSDYVKRFF-SECBINFHSA-N 308.359 1.499 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncn[nH]1 23142384 HIPJJXLDKXQONV-LLVKDONJSA-N 321.768 1.851 0 40 DDAB CC(=O)N[C@H](C(=O)N(C)Cc1c(C)noc1C)C1CCCC1 47643490 XMNYOAWHYVVOPB-HNNXBMFYSA-N 307.394 1.945 0 40 DDAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1 558139 NFVVAICFLZSRBD-UHFFFAOYSA-N 320.378 1.124 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H](c1cccs1)N(C)C 47833229 XEBDNKZENXAJGR-CHWSQXEVSA-N 321.450 1.935 0 40 DDAB C[C@H]1CN(C(=O)NCCc2ccc3c(c2)CCO3)C[C@@H](C)O1 79349684 FSVHMPXAFGXOIF-BETUJISGSA-N 304.390 1.983 0 40 DDAB O=C(NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccco1 24184037 KJUGSDBEWWQETR-SECBINFHSA-N 304.268 1.810 0 40 DDAB CCCCC1=NN(C(=O)C(=O)OCC)[C@](O)(C(F)(F)F)C1 4009318 XIBJASGUZYARHD-LLVKDONJSA-N 310.272 1.579 0 40 DDAB CC(=O)O[C@H]1CCCO[C@@H]1O[C@H]1OCCC[C@H]1OC(C)=O 4722403 CTCGYDFSKYEJIU-XJFOESAGSA-N 302.323 1.139 0 40 DDAB CCC[C@@H]1N=c2sc(=C(C)C)c(=O)n2C(C)=C1C(=O)OCC 6593688 DWSYIRSKUCJZGL-NSHDSACASA-N 322.430 1.696 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2ccccc2-n2cncn2)nc1 25005694 KMMAAXRQQHWSRZ-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CN(CC(=O)Nc1nncs1)Cc1nc2ccccc2n1C 83219558 OKBBIENBFXLFHH-UHFFFAOYSA-N 316.390 1.495 0 40 DDAB Cc1ccc(S(=O)(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 109321894 AXBKAXQDRJFZLN-STQMWFEESA-N 322.386 1.364 0 40 DDAB CC[C@H]1CN(Cc2cn3c(C)cccc3n2)CCN1C[C@H](C)O 106841084 NWLNQHWWTSDDLB-RDJZCZTQSA-N 316.449 1.920 0 40 DDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)NC(C)(C)C 34872235 DDIGMYGSDBAQOX-LLVKDONJSA-N 316.405 1.831 0 40 DDAB CN1CCN(C(=O)CSc2ncn(-c3ccccc3)n2)CC1 8091770 PORRBDNLGGHXID-UHFFFAOYSA-N 317.418 1.133 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CCC(=O)N1 3268452 XZONRKFRCLGMTA-LBPRGKRZSA-N 300.314 1.481 0 40 DDAB O=C1CN(C(=S)Nc2ccc(OC(F)F)cc2)CCN1 3279056 DCDLSQGHLHSHGQ-UHFFFAOYSA-N 301.318 1.417 0 40 DDAB CCn1cc(NC(=O)NC[C@H](O)COc2ccccc2)cn1 43637147 ZVXGXECLRFCIEN-ZDUSSCGKSA-N 304.350 1.464 0 40 DDAB Cn1ncc2c(NC[C@@H]3CCCN3c3cccnn3)ncnc21 75584667 FGWPDBAMSBAKNG-NSHDSACASA-N 310.365 1.234 0 40 DDAB CCN1CC[C@H](NC(=O)[C@H](C)O)[C@@H]1c1cc(F)c(F)c(F)c1 108496143 TZMAJZLLIDHZAF-ULSRQLJBSA-N 316.323 1.736 0 40 DDAB O=C(NCCCn1nc2ccccn2c1=O)Nc1ccccc1 58051434 LKRMUCNBHXSIRB-UHFFFAOYSA-N 311.345 1.708 0 40 DDAB Cc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cn1 48290509 JRNJIFVQKGGRDJ-UHFFFAOYSA-N 314.389 1.953 0 40 DDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCC(F)(F)F)c1 44893178 QDBIBHBVNAIIJD-UHFFFAOYSA-N 310.297 1.195 0 40 DDAB CCc1ccc(O)c(C(=O)NC2CCN(C(=O)OC)CC2)c1 58228800 DFMKMFCFKVSMCU-UHFFFAOYSA-N 306.362 1.915 0 40 DDAB CN(C)C(=O)CCCS(=O)(=O)c1ccc2c(c1)OCCO2 44948002 GBKKUCQDVBRYPU-UHFFFAOYSA-N 313.375 1.100 0 40 DDAB COCCn1cc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cn1 44970052 YOTOIPVLZDCAJR-AWEZNQCLSA-N 322.340 1.524 0 40 DDAB CC1(C)CCC[C@@H]1NCCS(=O)(=O)NC[C@@H]1CCCCO1 89596688 CGICRVDOFCTTGW-KBPBESRZSA-N 318.483 1.643 0 40 DDAB COc1ccc([C@H](CNC2=NCCCN2)N2CCOCC2)cc1 58329447 SJMOPRUSMYECOX-INIZCTEOSA-N 318.421 1.007 0 40 DDAB Cc1cc(C)c(CNC(=O)c2c(O)nnc(C)c2C)c(=O)[nH]1 75117826 ZHNMJSGVAYXGRS-UHFFFAOYSA-N 302.334 1.034 0 40 DDAB CCn1cc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C)n1 101615631 GWDKSYUZXOTWAF-ONAWRNRTSA-N 317.389 1.912 0 40 DDAB CCCc1n[nH]c(S[C@H](C)c2nc(N)nc(N(C)C)n2)n1 28190205 BUPOGMYEXFNRFM-SSDOTTSWSA-N 308.415 1.444 0 40 DDAB COCCOc1ccc(NC(=O)NC[C@@H](O)CC(C)C)cn1 75126201 CFPMLVKZTKNHOR-ZDUSSCGKSA-N 311.382 1.635 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c(=O)[nH]1 75120597 FQZVPIQCKYJCMU-SNVBAGLBSA-N 318.295 1.867 0 40 DDAB COCc1ccccc1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 45441904 QUAJWNRXJSHVPM-OAHLLOKOSA-N 304.390 1.708 0 40 DDAB C[C@H]1COCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 29923334 SWLZKFYMBIRAEY-NSHDSACASA-N 301.346 1.103 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)/C=C/c1ccc2c(c1)OCO2 46887339 XULVEZORMXQMAY-MASHWEEQSA-N 318.373 1.265 0 40 DDAB O=C(C[C@H]1COCCN1CCn1cccn1)c1cccs1 119532010 ICBKRPOZLUGFLE-ZDUSSCGKSA-N 305.403 1.918 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)NC[C@H]2CCCS2(=O)=O)c1 89669115 NUTDDFPPMRPOSO-UKRRQHHQSA-N 324.446 1.975 0 40 DDAB CC(C)c1nc(CC(=O)NCCSCC(=O)O)cs1 95425369 LBYFBHLIVOHHPY-UHFFFAOYSA-N 302.421 1.743 0 40 DDAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12 95413307 RKVHBVBPLKIXLJ-QWRGUYRKSA-N 315.333 1.956 0 40 DDAB COC(=O)CCCCCNC(=O)c1ccc(-n2cnnn2)cc1 9337454 IUIGHRLUNXCMQD-UHFFFAOYSA-N 317.349 1.126 0 40 DDAB CCCCn1c(=O)c2c(nc3n(CC)c(C)c(C)n23)n(C)c1=O 4314443 CEKFFVHUCOOMOD-UHFFFAOYSA-N 317.393 1.586 0 40 DDAB C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 14094723 ILBALGVLJWOABY-GFCCVEGCSA-N 322.430 1.999 0 40 DDAB CCCCN(CCCC)S(=O)(=O)N[C@H](C)Cn1cncn1 65550528 YXUOOEYJXBPGKK-CYBMUJFWSA-N 317.459 1.403 0 40 DDAB COc1cc(C(=O)O[C@@H]2CCOC2=O)cc(Cl)c1OC 5429888 KZWWQQSPKYJSQZ-SECBINFHSA-N 300.694 1.830 0 40 DDAB COc1ccc(CCNC(=O)COC(=O)[C@H]2C[C@H]2C)cc1OC 6641767 WXHPCWJKGYUVGK-YPMHNXCESA-N 321.373 1.562 0 40 DDAB Cn1c(-c2ccco2)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 6659530 JFYUOYIRFCTBPK-HNBZJPLGSA-N 307.331 1.466 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1nc(C)c(C)s1 96439685 YLVWAILLPWSFRX-PSASIEDQSA-N 312.439 1.862 0 40 DDAB COc1ccccc1CNC(=O)CSc1nnnn1C1CC1 15050091 UNIWDRNYQOVQMN-UHFFFAOYSA-N 319.390 1.425 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)n1 71865444 CSHBBCYSXPOQDA-KGLIPLIRSA-N 304.394 1.160 0 40 DDAB c1nc(N2CCC(c3n[nH]c(C4CC4)n3)CC2)c2nc[nH]c2n1 71894357 CJTRBSIILTVCOG-UHFFFAOYSA-N 310.365 1.732 0 40 DDAB CCNC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CCCO2)c1 7694456 JUJKLXXWJWENPS-ZDUSSCGKSA-N 320.345 1.097 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1sccc1OC(F)F 71847313 HNWIDCHZZKUQKD-ZCFIWIBFSA-N 311.331 1.266 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)CCNCC(F)(F)F)cn1 71856836 WUBDCWRQLFDJHN-NSHDSACASA-N 304.316 1.626 0 40 DDAB CSc1ccc(CN(C)C(=O)CSc2n[nH]c(N)n2)cc1 7897220 AAJMLBMTDFJOAD-UHFFFAOYSA-N 323.447 1.860 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)c2ccccc2F)c1CC 83817664 XDYJOPUGKXVAEI-UHFFFAOYSA-N 303.337 1.964 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 8249426 MGCDCMDMHIBFEU-YFKPBYRVSA-N 301.397 1.049 0 40 DDAB CCCCOC(=O)[C@H](C)OC(=O)CCn1c(C)csc1=O 71922243 CAFZKYKXHRRVAO-NSHDSACASA-N 315.391 1.883 0 40 DDAB COc1cccc(CNC(=O)CNC(=O)c2ccccc2F)c1 8379036 WJJPAOCXUQHWQQ-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB Cc1cc(S(=O)(=O)NOCC(=O)O)ccc1OC(C)C 70186484 BGCTZFVJBKDZJL-UHFFFAOYSA-N 303.336 1.077 0 40 DDAB CCN1CCN(C2CCN(CCc3ccccn3)CC2)C1=O 69493447 RNIACCPPIVWYMO-UHFFFAOYSA-N 302.422 1.846 0 40 DDAB C[C@H]1CCCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 69484171 SCKZDZDEHLDISI-QMMMGPOBSA-N 323.344 1.586 0 40 DDAB COC(=O)[C@H](NC(=O)c1cnc(C)cn1)c1cc(F)ccc1F 69518664 GBVWJMDXQHWFJF-CYBMUJFWSA-N 321.283 1.707 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H]1COc2cc(OC)ccc2C1 69538346 ULUYTUMCBLTWSV-LLVKDONJSA-N 307.346 1.314 0 40 DDAB O=S(=O)(Cc1ccn(-c2ccccc2)n1)C[C@H]1CCCO1 69564329 CEOUNQKBDPZBCC-OAHLLOKOSA-N 306.387 1.966 0 40 DDAB CCNC(=O)NCCOC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 95404972 QRVVECBLJYABHJ-CMPLNLGQSA-N 312.316 1.931 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)CCOc1ccc(OC)cc1 69816001 FISVSFQVDLAUNA-AWEZNQCLSA-N 306.362 1.201 0 40 DDAB COC(=O)c1cc(CNC(=O)c2cc(C)on2)ccc1OC 8749112 QRLVFDLCWJDZOH-UHFFFAOYSA-N 304.302 1.708 0 40 DDAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)OC 8995348 OXXIYNOTRYGXFX-HZMBPMFUSA-N 319.361 1.742 0 40 DDAB COC(=O)CNC(=O)CCc1nc(-c2ccc(F)cc2)no1 8936194 VFMGXDKTRORLFC-UHFFFAOYSA-N 307.281 1.098 0 40 DDAB COc1ccc([C@@H](C)NC(CO)CO)c(Br)c1 97034586 JXKMFMSMQMDECH-MRVPVSSYSA-N 304.184 1.462 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)Nc2nnc(C)s2)c1 72269808 DKNFJOLRKWVUTA-VHSXEESVSA-N 308.411 1.529 0 40 DDAB C[C@H]1CN(C(C)(C)CNC(=O)N2CCC[C@H](O)C2)C[C@@H](C)O1 97413767 WOVHOEJSJLDALU-MJBXVCDLSA-N 313.442 1.041 0 40 DDAB COC(C)(C)C[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 84636983 QNQPQNLOKQZABV-LBPRGKRZSA-N 309.414 1.828 0 40 DDAB OCCO[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1 95960593 WQYZKKYFQLIWAB-OAHLLOKOSA-N 302.374 1.705 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(N)=O 95942372 WTAFGNQJHVKBNE-TVQRCGJNSA-N 309.366 1.725 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)CCNC(=O)c2ccco2)C12CCC2 89985663 UPWSMUYLYCSDGL-UONOGXRCSA-N 320.389 1.863 0 40 DDAB CNC(=O)c1nc(COc2ccc3c(C)cc(=O)oc3c2)no1 32094216 SVNCONXTPNEFQO-UHFFFAOYSA-N 315.285 1.423 0 40 DDAB biogenic CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C1(CN)CN 218375222 QQRFFSGSVLZIJO-RYUDHWBXSA-N 302.827 1.144 0 40 DDAB Cc1cc(N2CCN[C@H](C)C2)c(Cl)cc1S(C)(=O)=O 39320875 SABRZRLYXKXYGS-SNVBAGLBSA-N 302.827 1.850 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc2c(c1)CCC2 77937115 CRGXIRNHLONQDV-HOCLYGCPSA-N 316.401 1.781 0 40 DDAB Cc1cc(C(F)(F)F)nc(N[C@H](C)CN2CCOCC2)n1 36613499 ULWOEVRNMWPYBY-SNVBAGLBSA-N 304.316 1.936 0 40 DDAB Cc1nc([C@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cs1 73472900 DQLVLVOQKLBGFS-JQWIXIFHSA-N 324.450 1.039 0 40 DDAB COc1cccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)n1 72276227 RWYGFGPYLPAQJR-CYBMUJFWSA-N 315.377 1.453 0 40 DDAB CSC[C@@](C)(O)CNC(=O)c1cc2ccccc2oc1=O 75157256 LMZBKKRFLTYFCD-HNNXBMFYSA-N 307.371 1.637 0 40 DDAB biogenic COc1cc(C(=O)N2CCOCC2)c(-n2cccc2)cc1OC 32073365 NQBTUMOHVOIFIL-UHFFFAOYSA-N 316.357 1.967 0 40 DDAB CCN(CC(=O)O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391540 KDKKDPKEGFNDQP-AWEZNQCLSA-N 306.362 1.804 0 40 DDAB CC[C@H](NC(=O)NC[C@@H]1CC[C@H](O)C1)c1c(C)nn(C)c1C 225585781 ZFUIQJLHHZFNIJ-RDBSUJKOSA-N 308.426 1.948 0 40 DDAB Cc1noc(C2CN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1 49482197 IOUVXFGBNKJUQG-UHFFFAOYSA-N 313.766 1.820 0 40 DDAB Cn1nc(N2CCC[C@@H](C(=O)Nc3cccnc3)C2)ccc1=O 85470878 QUPLFJONCRWXED-GFCCVEGCSA-N 313.361 1.030 0 40 DDAB CCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944654 QDMKBOAGKFCTGI-GFCCVEGCSA-N 302.371 1.332 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1 80891859 ZRLCCIQOMVDBJO-CZUORRHYSA-N 324.446 1.863 0 40 DDAB COC(=O)N1CC[C@H](NCc2ccccc2-n2cccn2)C1 84672812 ICCVHTQCLDXIRO-AWEZNQCLSA-N 300.362 1.803 0 40 DDAB CCc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc(C)n1 96425631 KAXUBRAWVBTCMI-CYBMUJFWSA-N 316.405 1.935 0 40 DDAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)nc1 96047708 QRLJTIWYCFLBEX-GDBMZVCRSA-N 300.362 1.915 0 40 DDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)N1CCCO1 96064491 LYNYARBAMYDILR-BPLDGKMQSA-N 306.362 1.138 0 40 DDAB O=C1N[C@H](c2ccccc2)C12CCN(S(=O)(=O)C1CC1)CC2 96244726 WQFFRSDZLJFGOO-CQSZACIVSA-N 320.414 1.432 0 40 DDAB Cn1c(CNS(=O)(=O)c2cccs2)nnc1C1CCC1 97379676 YMFVULMEIFYDTP-UHFFFAOYSA-N 312.420 1.623 0 40 DDAB CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cnc(C)cn1)C2 96203168 SKUIBSWXRLAEGZ-MRXNPFEDSA-N 302.378 1.402 0 40 DDAB Cc1ccc(CN2CCC[C@@]3(CCN(S(C)(=O)=O)C3)C2)o1 96215961 GQTOKPPSLWSUQK-OAHLLOKOSA-N 312.435 1.836 0 40 DDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccoc2)ncn1 96184783 FDBXDYBJJCWMIB-QWHCGFSZSA-N 314.345 1.572 0 40 DDAB CN(C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc2c(c1)OCO2 96184311 GPXOGPUSWKNCEN-JKSUJKDBSA-N 317.433 1.626 0 40 DDAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@H]2CCC[C@@H]2C1 96462222 HJLKPBWOOWCUGY-MCIONIFRSA-N 308.447 1.947 0 40 DDAB CCN1CCOC[C@]2(CCCN(C(=O)c3cccc(C)n3)C2)C1 96049609 GUTVAGGAJZFKBI-GOSISDBHSA-N 317.433 1.965 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(C)c21 96044762 DLRDBNWCPSSSRU-LBPRGKRZSA-N 300.362 1.130 0 40 DDAB CCc1cc(CNC(=O)NCC[S@@](=O)c2ccccc2)on1 96421584 CTBOYXBBJOREAJ-QFIPXVFZSA-N 321.402 1.844 0 40 DDAB CC(C)Nc1ncnc2c1CCN(C(=O)N1CCOCC1)CC2 96255549 CQFNFTSJLZUYNS-UHFFFAOYSA-N 319.409 1.150 0 40 DDAB Cn1cc(CCCCNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 96421521 OKOMFILRMWURNN-ZNMIVQPWSA-N 320.437 1.856 0 40 DDAB Cc1nc(Cn2c3c(ccc2=O)C[C@@H](NC(N)=O)CC3)cs1 96260667 RWPDNXARDYHFGC-NSHDSACASA-N 318.402 1.187 0 40 DDAB O=C(CC1CC1)NC[C@@H]1CN(C2CCOCC2)Cc2cncn21 247808123 COJPCRUYVSRSJK-MRXNPFEDSA-N 318.421 1.335 0 40 DDAB CNc1nccnc1[C@H]1CN(C(=O)c2cncs2)CCO1 257200689 AENAHQCWRGAYPE-SECBINFHSA-N 305.363 1.189 0 40 DDAB COc1ccc([C@@H]2CNCCN2CC(=O)N2CCCC2)cc1 257258314 KTHWPMOIRYPIET-INIZCTEOSA-N 303.406 1.264 0 40 DDAB Cc1cc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCC[C@H]2[C@]4(C)C3)nc(O)n1 257219971 DJADZFHNTXOWFU-XZBIERFOSA-N 316.405 1.578 0 40 DDAB Cc1nc(Cn2nnc(NC(=O)C3CCCCC3)c2C)no1 252510441 ZKVMZCFGLRPAEA-UHFFFAOYSA-N 304.354 1.845 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)COc3ccccc3)C2)n1 1775985930 JORSIHVZWFXBCQ-UHFFFAOYSA-N 313.357 1.089 0 40 DDAB Cn1cnc2c(NC[C@]3(O)CCOc4ccccc43)ncnc21 1776000751 ICFZODOYJQGHRM-MRXNPFEDSA-N 311.345 1.446 0 40 DDAB Cc1nc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)sc1C 75498010 GFZNRGHWRIBGLO-CYBMUJFWSA-N 324.450 1.946 0 40 DDAB Cc1ccccc1NCCC(=O)N[C@]1(C)CCS(=O)(=O)C1 42369915 WUGNTNCEZDCZEG-OAHLLOKOSA-N 310.419 1.490 0 40 DDAB O=C(NCCO)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 98066930 PVFVWKJLDXTIQV-UHFFFAOYSA-N 324.336 1.205 0 40 DDAB O=C(NCC1(O)CSCCSC1)c1ccc(F)cc1 1888856636 NIUXVWXSTSUGOP-UHFFFAOYSA-N 301.408 1.767 0 40 DDAB Cc1cc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 5341541 FDHVZELVVOSLLG-JTQLQIEISA-N 317.794 1.331 0 40 DDAB Cc1ccc2[nH]cc(NC(=O)N3CCN(C)CC3)c(=O)c2c1 13565922 MXOTVWUOEVMCCJ-UHFFFAOYSA-N 300.362 1.616 0 40 DDAB CCS(=O)(=O)N1CCCc2cc(C(=O)NC(C)C)ccc21 13583940 APRXECIFUKQODT-UHFFFAOYSA-N 310.419 1.927 0 40 DDAB O=S(=O)(NCCN1CCOCC1)c1ccc2ccccc2c1 19681292 MMIZHMLHHTVIAJ-UHFFFAOYSA-N 320.414 1.450 0 40 DDAB COCC(=O)N1CCC(Cc2cc(N(C)C)nc(C)n2)CC1 19758787 CVWBNNKGAYHYEF-UHFFFAOYSA-N 306.410 1.279 0 40 DDAB O=C(Cn1[nH]cc2c(=O)ncnc1-2)NC1(c2ccccc2)CCC1 101004879 HWOQGXYYLXGPMF-UHFFFAOYSA-N 323.356 1.267 0 40 DDAB COc1ccc(C(=O)CN2CCN(c3ncccn3)CC2)cc1 36384521 XXBMLVBMZCPVRX-UHFFFAOYSA-N 312.373 1.490 0 40 DDAB COc1ccccc1CNC(=O)CCNC(=O)c1ccco1 3614826 JOFYZGISLRJGCX-UHFFFAOYSA-N 302.330 1.725 0 40 DDAB O=C([C@@H]1CCCN(Cc2cncs2)C1)N1CCSCC1 1888850368 WJHBCRZRIRVLGD-GFCCVEGCSA-N 311.476 1.931 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3C[C@@]32C(=O)NC2CCC2)n(C)n1 2056225183 GMEMMDWNQOZXGT-ZBEGNZNMSA-N 302.378 1.002 0 40 DDAB CN(C)c1cccc(C(=O)NC[C@]2(OCCO)CCSC2)c1 1565520192 HXFSZZSYINGITO-MRXNPFEDSA-N 324.446 1.367 0 40 DDAB CO[C@@H]1COC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 1565548138 XODFYUCLLGJKLE-AWEZNQCLSA-N 308.353 1.560 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCCO2 177325 RLQHKARIJHBUGY-AWEZNQCLSA-N 318.329 1.649 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)no1 8863575 QFFRSJILLWKDLF-LLVKDONJSA-N 322.390 1.402 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1 225575953 VMJDIBAHODXXLL-UHFFFAOYSA-N 316.342 1.733 0 40 DDAB CC(C)N1C(=O)C[C@H](NC(=O)C2(c3ccccc3F)CC2)C1=O 102688183 PZNVNCFGGBFSGR-ZDUSSCGKSA-N 318.348 1.509 0 40 DDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCc1ccccc1 51999973 UDMVNYWBMUBEMM-AWEZNQCLSA-N 317.433 1.273 0 40 DDAB CC(C)OC(=O)CCNC(=O)c1ccc2c(c1)CCC(=O)N2 32841787 NXZGJNLRTXBXNS-UHFFFAOYSA-N 304.346 1.643 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)NCCc2ccccc2)C1 32826270 YDGYOMQJMALAAL-QGZVFWFLSA-N 319.449 1.885 0 40 DDAB COCCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 32999407 KMWVKMMQYOYACJ-UHFFFAOYSA-N 307.318 1.449 0 40 DDAB CCOC(=O)N[C@@H](C(=O)Nc1nnc(CC)s1)C(C)C 32912215 NHPJSVRPAUWYIN-SECBINFHSA-N 300.384 1.810 0 40 DDAB COC[C@@H](C)NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 22624679 UNWHBDJLZGFRLF-LLVKDONJSA-N 315.373 1.823 0 40 DDAB O=C(NCCN(CC1CC1)C1CC1)N1CC[C@]2(CCOC2)C1 95410565 GJRXYGNJVSGPCA-KRWDZBQOSA-N 307.438 1.683 0 40 DDAB Cc1ncsc1C(=O)NC[C@@H](O)C(=O)OCc1ccccc1 95458582 DTOBQKRRNPCSDH-GFCCVEGCSA-N 320.370 1.286 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)[C@@H]2CCCCN2C(C)C)c1C 95401011 DJGDMGPLQGPXLP-AWEZNQCLSA-N 306.410 1.266 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3c[nH]c(C)n3)CCO2)n1 78894318 JQCABPRLGSOOCL-NSHDSACASA-N 304.354 1.002 0 40 DDAB O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CC=CC1 78966619 ZPUDJBNWUHMVPK-UHFFFAOYSA-N 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CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 6226876 VEWOAWHIWNADHF-UHFFFAOYSA-N 301.346 1.514 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 65499945 CKQZXVSBEIXKBK-OKILXGFUSA-N 304.390 1.773 0 40 DDAB Cc1cccc(NC[C@H]2CCN(CCC(=O)NC3CC3)C2)n1 65474707 VMEYMXJFMWCKEN-CQSZACIVSA-N 302.422 1.793 0 40 DDAB CCCCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65564751 ZRFUWHKHFBLSPJ-UHFFFAOYSA-N 317.433 1.637 0 40 DDAB O=C(CCNC(=O)C(F)(F)c1ccccn1)N1CCCCC1 95448086 BDPDXOGNKLKCGX-UHFFFAOYSA-N 311.332 1.692 0 40 DDAB O=C([C@@H]1CCCN1Cc1noc(C2CC2)n1)N1CCSCC1 67118123 PYZDKDBXFXSMBY-LBPRGKRZSA-N 322.434 1.487 0 40 DDAB Cc1nc(NC[C@H](O)CN2CCOCC2)nc(C)c1CC(C)C 80224417 AOBUAUPRCUHKAB-HNNXBMFYSA-N 322.453 1.397 0 40 DDAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1CC 7781807 SMDAXAIYOLTMIN-GFCCVEGCSA-N 309.410 1.771 0 40 DDAB C[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)Cn1cccn1 81487520 PZOZFQFIRNJJMN-CMPLNLGQSA-N 320.315 1.228 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(C)c2ccccc2C1 69090285 XGBSDSJRHRIKNP-GFCCVEGCSA-N 304.394 1.173 0 40 DDAB O=C(Nc1ccn(CCc2ccncc2)n1)N1CCC[C@@H]1CO 96435230 RMMJSBSAZNEFTR-CQSZACIVSA-N 315.377 1.509 0 40 DDAB CN1CCCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 69179798 FFBQQXZDPRVYCW-CYBMUJFWSA-N 305.378 1.174 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 70004061 BVTIHHDOYNZKEY-MRXNPFEDSA-N 318.417 1.079 0 40 DDAB CCOCCN1CCN(Cc2nnsc2Cl)C[C@@H]1C 70040051 JLVSPWYZSZEREH-JTQLQIEISA-N 304.847 1.734 0 40 DDAB C[C@](O)(CNC(=O)c1cccnc1-n1cccn1)c1ccco1 81834779 DJRSBISHUZCKEG-INIZCTEOSA-N 312.329 1.498 0 40 DDAB CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)Cn1ccnc1 69348740 AFNZGXRRZFLUAS-QKVFXAPYSA-N 305.403 1.829 0 40 DDAB CN(Cc1cccc(F)c1)C(=O)CSc1nnnn1C1CC1 8391585 QZQPSWZXDZVOIM-UHFFFAOYSA-N 321.381 1.898 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1ccc(Cn3cccn3)cc1)C2 69461705 KESZFJWAAHJDSS-UHFFFAOYSA-N 322.372 1.487 0 40 DDAB Cc1occc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69420740 SHHFSJQWADAMSB-UHFFFAOYSA-N 302.378 1.670 0 40 DDAB COC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 8489930 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O=C(O)c1ccccc1OCCN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 573459939 JHRUHFQELDVWTD-OCVGTWLNSA-N 301.342 1.649 0 40 DDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21 227161875 SCJBYTKDORJXKW-UHFFFAOYSA-N 324.402 1.607 0 40 DDAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccco2)CC1 226260893 GKKWBMKIBGCFCO-UHFFFAOYSA-N 300.362 1.866 0 40 DDAB CS(=O)(=O)c1nccn1C[C@H](O)c1cccc(Cl)c1 95438714 SZCSZRVGEOFEOH-NSHDSACASA-N 300.767 1.674 0 40 DDAB CN1CC[C@@]2(COCCN(C(=O)NCc3ccccc3)C2)C1 96201967 PYXCPGHTOWINCX-QGZVFWFLSA-N 303.406 1.550 0 40 DDAB CCN1CC2(CCN(Cc3ccco3)CC2)[C@H](COC)C1=O 96208382 YFETYNBHTOWDAS-OAHLLOKOSA-N 306.406 1.987 0 40 DDAB O=C(c1ccc(O)cc1)N1C[C@@H]2CCN(c3cnccn3)C[C@@H]2C1 96081509 OBYJPDZUCRMIAI-LSDHHAIUSA-N 324.384 1.781 0 40 DDAB CCS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)OC[C@@H](CO)O1 96531816 ZMBBQSLDOLHVFY-CHWSQXEVSA-N 320.794 1.335 0 40 DDAB C[C@@H](NS(C)(=O)=O)c1onc(-c2ccccc2)c1C(=O)O 96297033 XOZLQCATDZZEFF-MRVPVSSYSA-N 310.331 1.650 0 40 DDAB biogenic,in-vitro Fc1cnc(N2CC[C@@]3(CCCN(c4nncs4)C3)C2)nc1 96217169 MVLAVPVHBIFMCD-AWEZNQCLSA-N 320.397 1.964 0 40 DDAB O=S(=O)(C1CC1)N1CCc2onc(CN3CCCC3)c2C1 96084819 HKOXAACIPOVTPK-UHFFFAOYSA-N 311.407 1.121 0 40 DDAB CCS(=O)(=O)[C@H](CO)[C@@H](N)c1ccc(Cl)cc1Cl 96525268 LKOUWGFEAMZWMM-MNOVXSKESA-N 312.218 1.789 0 40 DDAB c1csc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 96055008 JYUCUCVENFJMST-ZIAGYGMSSA-N 316.430 1.876 0 40 DDAB CC(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccccc3)CC[C@@H]2C1 96249846 UUPXLACNBNXVSJ-IAGOWNOFSA-N 316.401 1.325 0 40 DDAB O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187911 WPLFMJRBJMXGPT-CQSZACIVSA-N 314.389 1.910 0 40 DDAB COC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 242677026 SVOMTJUNEIJFKV-LOWVWBTDSA-N 317.407 1.255 0 40 DDAB CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)O 242701874 WOZDOUMKQCWPFV-UTLUCORTSA-N 319.176 1.660 0 40 DDAB CC(C)c1ncc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cn1 257318483 VOCUJOBRRWZTEW-BBRMVZONSA-N 305.378 1.356 0 40 DDAB C[C@@H](COc1ccc(F)cc1)NC(=O)[C@H]1CCc2[nH]nnc2C1 252492474 MNHUQPFXZBCGCZ-QWRGUYRKSA-N 318.352 1.632 0 40 DDAB Cc1nc(CN2CCO[C@@H](c3nccnc3N(C)C)C2)cs1 257249843 JJZFQUFBYYKMSW-CYBMUJFWSA-N 319.434 1.881 0 40 DDAB Cc1ncc(CNC(=O)C2CCOCC2)c([C@H]2CCCN2C)n1 257314804 UYMMCNLSQZVONE-OAHLLOKOSA-N 318.421 1.595 0 40 DDAB O=C1NC(=O)/C(=C/N2N=C(c3cccs3)C[C@@H]2C(=O)O)S1 256027877 HWTFEDFMXQTGHE-WVXOVRIESA-N 323.355 1.436 0 40 DDAB C[C@H](c1cccnc1)N(C)C(=O)NC[C@@H](C)N1CCOC[C@H]1C 252477208 KBCRAKQMYGMZRS-RBSFLKMASA-N 320.437 1.893 0 40 DDAB O[C@H]1CCN(Cc2ncc[nH]2)CC[C@@H]1Oc1ccc(F)cc1 257239763 HQRRDMLPFHEYGL-GJZGRUSLSA-N 305.353 1.953 0 40 DDAB O=C(O)C[C@H]1COCCN1C(=O)c1cccc([C@H]2CCOC2)c1 263374447 ZXOWTGCLTNXFSE-GJZGRUSLSA-N 319.357 1.506 0 40 DDAB O=C(c1cc[nH]n1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575607485 NLNXXQRWEHMPSM-AWEZNQCLSA-N 319.386 1.412 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1cccnc1)C2 585110790 GQHMTXYYDNTABE-AWEZNQCLSA-N 311.389 1.147 0 40 DDAB O=C(NCC[C@H]1CN(C2CCC2)Cc2ccnn21)N1CCCC1 585112869 XKRFHRQSADLUMM-HNNXBMFYSA-N 317.437 1.988 0 40 DDAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2c[nH]nc2C)C3)n1 1550529181 KLAVWZVITCBZAH-XHDPSFHLSA-N 301.350 1.603 0 40 DDAB C[C@H]1COCCN1C(=O)CCc1nc(-c2ccccn2)no1 30713903 ZIGXSNDYVLLJDZ-NSHDSACASA-N 302.334 1.312 0 40 DDAB CCc1cnc(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)nc1 1776001646 DXHGCUBDJVRESI-CYBMUJFWSA-N 305.378 1.445 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccn(C)c(=O)c1 40496653 WRGZYOINNWLWHG-ZDUSSCGKSA-N 314.341 1.297 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ncccc2F)C1 84485628 DFFALYFSDUXTLB-GFCCVEGCSA-N 323.368 1.459 0 40 DDAB Cc1nc(NC(=O)c2ccc(=O)n(C)n2)ccc1Br 72512033 ZWPZKVRQQIJBDS-UHFFFAOYSA-N 323.150 1.499 0 40 DDAB CCN1OC2(CCN(C(=O)c3ccccc3OC)CC2)CC1=O 1549162939 XALCMOXYLRBGFE-UHFFFAOYSA-N 318.373 1.854 0 40 DDAB Cc1sc2nc(C)n3c(=O)n(CC(=O)N(C)C)nc3c2c1C 19561677 QEDSERXAQCRFLI-UHFFFAOYSA-N 319.390 1.119 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(O)cc1 65601 XOKVKNWASIHRRR-GFCCVEGCSA-N 301.306 1.231 0 40 DDAB CCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 2029971 VMZZIZJTOOPOLL-UHFFFAOYSA-N 305.382 1.214 0 40 DDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 2620225 ZIIVHPIAJQYXRH-SECBINFHSA-N 303.767 1.825 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 3487754 LSBWNVXRUNZLHP-GFCCVEGCSA-N 307.325 1.731 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)CCC4)cnc21 10922301 SYWQTRLNOZWKEE-UHFFFAOYSA-N 323.356 1.257 0 40 DDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CC4)C[C@H]3C2)nc(O)c1F 1888849850 AYEMSHDPSKTJEC-PHIMTYICSA-N 320.368 1.188 0 40 DDAB O=C([C@@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCCC1 1889098672 KWNLMWSISNVQQE-AWEZNQCLSA-N 302.378 1.182 0 40 DDAB C[C@@H](OC(=O)c1ccc(COCC(F)(F)F)cc1)C(N)=O 25051452 RGFBQHCUKMTNBY-MRVPVSSYSA-N 305.252 1.796 0 40 DDAB Cc1cccnc1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037978484 YOQIVPYVNJHQSN-KRWDZBQOSA-N 303.406 1.603 0 40 DDAB CCc1ccc(C(=O)N2C[C@@H]3OCCN(C(C)C)[C@H]3C2)cn1 1565548603 GDDGLMIYOMPHBF-HOTGVXAUSA-N 303.406 1.578 0 40 DDAB CN(C)[C@H]1CCOC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1565544008 ABYVBRXAPXJIJO-AWEZNQCLSA-N 310.438 1.393 0 40 DDAB CCN1C(=O)CCC12CCC(NC(=O)CC1(O)CCC1)CC2 1565553155 MDBWDSKRCYCIJG-UHFFFAOYSA-N 308.422 1.731 0 40 DDAB CC(C)N1CCO[C@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@H]2C1 1565547489 RWXVBFUWWDNNBV-JSGCOSHPSA-N 316.392 1.989 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CCN1c1cccnc1 1565546210 WRBXMPMKJLGYFY-OCCSQVGLSA-N 317.364 1.785 0 40 DDAB O=C(CSc1nnnn1-c1ccccc1)Nc1ncccn1 54252 NXLFGADEJHTAEO-UHFFFAOYSA-N 313.346 1.183 0 40 DDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(C)C)C1 220818 LJKRWTWRWVVNFQ-CYBMUJFWSA-N 304.456 1.601 0 40 DDAB O=C(O)c1ccc2c(c1)-c1cc(C(=O)O)ccc1S2(=O)=O 1512333 HLYRFUQKRBQPDX-UHFFFAOYSA-N 304.279 1.896 0 40 DDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C2CCC2)C1 2055750999 WQUYDUOAYNUPGQ-KRWDZBQOSA-N 319.380 1.755 0 40 DDAB Fc1cnc(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)nc1 2086861151 NELKIDHQLSWWKS-PHIMTYICSA-N 303.316 1.722 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 2298178998 MEDQDANERNMDAM-GJZGRUSLSA-N 319.453 1.277 0 40 DDAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30175835 NVHWCTMGZKMPHL-IINYFYTJSA-N 319.361 1.267 0 40 DDAB COC(=O)CCSCCOc1ccc(S(N)(=O)=O)cc1 40009957 YYJNNQIXAKRVSE-UHFFFAOYSA-N 319.404 1.009 0 40 DDAB CCOCCCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 31735886 RUYNGMKJFGCBHG-NSHDSACASA-N 321.356 1.583 0 40 DDAB O=c1[nH]c(=O)n(-c2ccccc2)c2c1CN(C1CCCC1)CN2 20530622 OCNZHOMWVMOPPM-UHFFFAOYSA-N 312.373 1.653 0 40 DDAB CCOc1ccc(Cl)c(C(=O)NCC(=O)Nc2cn[nH]c2)n1 51412654 SWJVLDGXVCNYGC-UHFFFAOYSA-N 323.740 1.225 0 40 DDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)C1CCCC1 32022245 APBWTDKCPCYBHM-UHFFFAOYSA-N 310.419 1.412 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CNC(C)(C)c1nc(C)cs1 101376911 ZZTOGIUAHPAGQW-XDHOZWIPSA-N 321.450 1.943 0 40 DDAB Cc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)on1 52964949 YGUCVEBJVRCVDI-HNNXBMFYSA-N 315.373 1.474 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 53863910 SUSYQZXBTYFEGH-MEBBXXQBSA-N 323.418 1.676 0 40 DDAB CCCn1nc(C(=O)NC[C@@H](CC)N2CCCC2)ccc1=O 42498291 DKFUTPJYFNAPJK-CYBMUJFWSA-N 306.410 1.258 0 40 DDAB CCOc1ncccc1C(=O)Oc1ccc(-n2cnnn2)cc1 12580836 IDRNKFOUUVXYBJ-UHFFFAOYSA-N 311.301 1.675 0 40 DDAB CN(CC(F)(F)F)C(=O)CNc1nc2ccccc2c(=O)[nH]1 78340117 FCPRRKDBUBDHDC-UHFFFAOYSA-N 314.267 1.356 0 40 DDAB Cc1cccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)n1 79492019 KGBNCZLFQWHUCX-UHFFFAOYSA-N 301.346 1.648 0 40 DDAB CCN(CC)CCNC(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc12 3149431 CJRVUEQOEARPSD-LBPRGKRZSA-N 316.405 1.485 0 40 DDAB CCOC(=O)c1sc(NC(=O)CN(CC)CCO)cc1C 24672626 PHSKXPVORRMWLL-UHFFFAOYSA-N 314.407 1.486 0 40 DDAB COc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)cc1 4318864 GOJFKLRGAUBORJ-CQSZACIVSA-N 318.329 1.860 0 40 DDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6649232 OXMMCMZWPVDGLD-SNVBAGLBSA-N 318.826 1.923 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 24987940 QDDRZHDJPDOQPX-CQSZACIVSA-N 323.360 1.203 0 40 DDAB COc1ccc(CNC(=O)COC(=O)c2cc(C)no2)cc1 6851890 NWDZSMPPCCTPES-UHFFFAOYSA-N 304.302 1.465 0 40 DDAB O=C1C[C@@H]2[C@@H](CCN2Cc2cccs2)N1c1cncnc1 107251846 DWLWZAIODHQHLR-ZIAGYGMSSA-N 300.387 1.918 0 40 DDAB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccn2)n2ncnc2N1 10157103 UXWJACQJKUHFAT-OAHLLOKOSA-N 324.388 1.975 0 40 DDAB CSc1nnc(NC(=O)CSc2nncn2C)s1 8334741 HOALQOWXVVUTQA-UHFFFAOYSA-N 302.410 1.119 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCc1cccc(OCC(=O)NC2CC2)c1 50386078 PXXHIKYLNWMSBZ-XHDPSFHLSA-N 302.374 1.616 0 40 DDAB C[C@H](CNS(=O)(=O)N1CCCCC1)N1CCc2ccccc21 26848120 NLZZKJNHDTTZBE-CQSZACIVSA-N 323.462 1.758 0 40 DDAB COc1cccc([C@H](CNC(=O)Cn2cccn2)N(C)C)c1 44896913 DPERUAGYSSRAEY-HNNXBMFYSA-N 302.378 1.311 0 40 DDAB O=C(CN1CCSC1=O)NC[C@H](c1ccco1)N1CCCC1 10217981 VRHJBVXHRAKILT-GFCCVEGCSA-N 323.418 1.702 0 40 DDAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)NC1CCCC1 58228440 MREPSSQQNKHSNE-GFCCVEGCSA-N 316.401 1.728 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(F)c1 44909300 LSYVSFMIJCSYSU-CYBMUJFWSA-N 314.382 1.256 0 40 DDAB C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)[C@H]1CCCO1 44954159 BFIFYSSPBKJLPQ-TZMCWYRMSA-N 319.409 1.312 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSC)c1C 3448566 VJKGBMHMVDWTOX-UHFFFAOYSA-N 313.375 1.897 0 40 DDAB CS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1Cl 20492326 ONGSFYMDVKJFIO-UHFFFAOYSA-N 318.782 1.184 0 40 DDAB COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cn1 46577599 BTBPEFGSSFHHLB-UHFFFAOYSA-N 310.313 1.439 0 40 DDAB CCn1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)ccc1=O 47181726 CZWLFXLGLCNQJH-UHFFFAOYSA-N 309.325 1.962 0 40 DDAB CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@H]1CCN(CC2CC2)C1 95436929 CBVXRWJUQAURKB-LSDHHAIUSA-N 311.470 1.813 0 40 DDAB COc1cc(CC(=O)N2CCO[C@@H](c3ncon3)C2)ccc1C 96011943 FNKNXYQXHGNMJI-CQSZACIVSA-N 317.345 1.529 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(Cc3ccc(Cl)cc3)[C@H]2C1 13624546 MSUJFYAJWJZDLK-QWRGUYRKSA-N 316.835 1.196 0 40 DDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccnc(Cl)c2)n1 13728957 SXVQCXSWYJZWSD-UHFFFAOYSA-N 321.768 1.303 0 40 DDAB CCOC(=O)Cn1nc(-c2nc(C(C)(C)C)no2)ccc1=O 65197397 MVMAYJPHHFGUSA-UHFFFAOYSA-N 306.322 1.154 0 40 DDAB CC(C)COCCC(=O)NCCC(=O)NCc1cccnc1 65476147 ZJOJGICGVHGSLX-UHFFFAOYSA-N 307.394 1.267 0 40 DDAB O=C(CNC(=O)c1ccccc1)Nc1ccc(-n2ccnc2)nc1 65531737 OJUJOSYBYUKTPS-UHFFFAOYSA-N 321.340 1.636 0 40 DDAB CS(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 14136094 BOWTWJCWHCPFTC-UHFFFAOYSA-N 323.340 1.618 0 40 DDAB COc1cc2c(cc1CNC[C@@H]1CN(C)CCO1)O[C@H](C)C2 65611287 NATVBFDLAFDMRR-IUODEOHRSA-N 306.406 1.439 0 40 DDAB CC[C@H]1CCc2sc(C(=O)OCC(=O)NC(N)=O)cc2C1 5561059 FYEHBTPBGOZUHK-QMMMGPOBSA-N 310.375 1.615 0 40 DDAB CC(C)CNC(=O)COC(=O)c1ccccc1S(C)(=O)=O 5534272 WUMZYMLNFXXWRK-UHFFFAOYSA-N 313.375 1.019 0 40 DDAB COCCNC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 5532501 KGQBIEIVXPCSBV-IUODEOHRSA-N 320.414 1.798 0 40 DDAB COC(=O)[C@@H]1C[C@@H](Oc2ccc(Br)cc2F)CN1 19735850 ACHONPVNQXFQLC-SCZZXKLOSA-N 318.142 1.871 0 40 DDAB Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66485938 UKBONEIGMDXGNE-INIZCTEOSA-N 316.401 1.849 0 40 DDAB COc1cc(NC(=O)Cn2c(C)csc2=O)cc(OC)c1 6789154 MLIQIQKHSVHJKL-UHFFFAOYSA-N 308.359 1.874 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 9484130 DTBFPUYOVWEFSM-CQSZACIVSA-N 314.389 1.664 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 9549637 RWAMAFOPLPRPLJ-NSHDSACASA-N 312.391 1.093 0 40 DDAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC1 16061744 LKXGQJXWYJRRMH-UHFFFAOYSA-N 308.403 1.320 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cn1 71830402 YTYHJSFTOMNBSM-QZTJIDSGSA-N 324.428 1.868 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCCC[C@@H]2Cn2cncn2)on1 71876302 FFTCQIGBWJONKW-QWHCGFSZSA-N 318.381 1.456 0 40 DDAB O[C@@H](COCc1cccs1)Cn1nnc(-c2ccccc2)n1 69057864 AQTXXNFJCBGBJU-CYBMUJFWSA-N 316.386 1.979 0 40 DDAB COC(=O)[C@H](CO)NC(=O)c1ccc(Oc2ccccc2)cc1 8128301 ZADMVZGHKVTFSA-HNNXBMFYSA-N 315.325 1.743 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 70040989 MJJLAXHWARNHFI-SECBINFHSA-N 318.751 1.757 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN2CCCC[C@H]12 69484308 NEAKLDWKGJDMBG-RBSFLKMASA-N 321.465 1.767 0 40 DDAB COc1ccc([C@H]2C[C@@H]2C(=O)NCCN2CCN(C)CC2)cc1 69415041 KXKPQRDZEQLXAX-SJORKVTESA-N 317.433 1.162 0 40 DDAB CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2ccccc2C1 69537919 XJOXICAJUXNUFX-GJZGRUSLSA-N 318.442 1.972 0 40 DDAB c1cnnc(N2CCC[C@@H](NCc3nc(C4CC4)no3)C2)c1 69737976 RZUZXHUAXTWGBX-GFCCVEGCSA-N 300.366 1.496 0 40 DDAB CC(C)C[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCC2)C(N)=O 69703029 DJZMXXYOZBOZHK-MRXNPFEDSA-N 324.446 1.744 0 40 DDAB CSc1ccc(OCCn2cc(Cl)c(=O)[nH]c2=O)cc1 83992923 RHOVBVQJZOFBLB-UHFFFAOYSA-N 312.778 1.991 0 40 DDAB CN(Cc1nc(-c2ccoc2)no1)CC1CCN(CCO)CC1 69927483 NLJCYXCANVOIJP-UHFFFAOYSA-N 320.393 1.466 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1 95954848 XMLZZPPACSVLEW-AWEZNQCLSA-N 302.378 1.397 0 40 DDAB O=C(c1ccncc1)N1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 97034176 SGTXBFSZYMUNHR-ROUUACIJSA-N 323.396 1.498 0 40 DDAB CC(=O)c1c[nH]c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72277590 ZTURLDNSESRXHJ-LBPRGKRZSA-N 321.377 1.957 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](n2cncn2)C1 72272180 YHUWUTMBGJUIKI-AWEZNQCLSA-N 316.409 1.425 0 40 DDAB COCCN(CCN(C)C)C(=O)N[C@H]1CCc2ccccc2C1 72274295 SNEWUCGMFRKFKD-KRWDZBQOSA-N 319.449 1.764 0 40 DDAB COCc1ccccc1CNC(=O)Cn1ccc(C)cc1=O 84247983 IZPSHSWKMIPHTH-UHFFFAOYSA-N 300.358 1.620 0 40 DDAB CC(=O)NCCCN(C)S(=O)(=O)c1c(F)cccc1Cl 97147024 NQDUJGPWJROKNF-UHFFFAOYSA-N 322.789 1.626 0 40 DDAB COc1c(F)cc(NC(=O)NCCCn2ccnn2)cc1F 97107357 VPMNTVANDULCEG-UHFFFAOYSA-N 311.292 1.777 0 40 DDAB COc1ccc(NC(=O)C(=O)Nc2c(C)n[nH]c2C)c(OC)c1 97117537 PNFBBIFVTASIFB-UHFFFAOYSA-N 318.333 1.621 0 40 DDAB CCCNC(=O)CCCC(=O)OCc1cccc(C(N)=O)c1 97595983 BKOJMLBNWZKKBZ-UHFFFAOYSA-N 306.362 1.525 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1cnc[nH]1 95961657 MIZSNKODKAZPEO-OCCSQVGLSA-N 314.455 1.338 0 40 DDAB Cc1cc(C)c(CNC(=O)c2[nH]nc3c2CCCC3)c(=O)[nH]1 89568558 JVPPGOOWFSLTPU-UHFFFAOYSA-N 300.362 1.524 0 40 DDAB Cc1ncsc1C(=O)OCCCc1nc2ncccn2n1 89565494 QWMFUOMXCBKKAQ-UHFFFAOYSA-N 303.347 1.679 0 40 DDAB CCOCCN1CCN(CC(=O)Nc2c(C)n[nH]c2C)C[C@@H]1C 75132877 CFWHQYOPNJGIRT-LBPRGKRZSA-N 323.441 1.008 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CN1CCN(C)C[C@@H]1C 89688876 IVJIJGZNBRVYMS-INIZCTEOSA-N 319.449 1.434 0 40 DDAB Cc1ccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)cc1 20155625 RBASIRAJWXMVMR-UHFFFAOYSA-N 314.389 1.752 0 40 DDAB COC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 24483392 LJSDTRKYMHQCQU-UHFFFAOYSA-N 315.366 1.980 0 40 DDAB O=C([C@@H]1CCCO1)N1C(=S)N=C(O)/C1=C\c1cccnc1 33782147 XGFFBQFHMLOCSW-HUYFXPKMSA-N 303.343 1.685 0 40 DDAB COCCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O 36739953 GJMNNJGSDGNERG-HZPDHXFCSA-N 314.376 1.526 0 40 DDAB CC(C)(C)n1cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cn1 556176876 FHAWIOYXEKNSGI-ZIAGYGMSSA-N 311.451 1.790 0 40 DDAB CCCN1CC[C@@]2(CCc3nnc(C(=O)NC(C)C)n3CC2)C1 306133936 MZSGHSNWTRIWLA-QGZVFWFLSA-N 319.453 1.855 0 40 DDAB CN(Cc1ccco1)S(=O)(=O)c1cnn(-c2ccccn2)c1 72238927 OYFVQKVXDRLPJY-UHFFFAOYSA-N 318.358 1.681 0 40 DDAB CN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 72242316 GLQVIOBGABSKSX-HIFRSBDPSA-N 306.337 1.204 0 40 DDAB COc1ccc2[nH]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1 35288825 FMISAOLHIGURIU-NSHDSACASA-N 302.330 1.446 0 40 DDAB CN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN 79392861 UWLWAWZQFPGOGE-OAHLLOKOSA-N 319.405 1.595 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)c1cc(=O)[nH]c2ccccc12 72406216 BQGJQVDHVCTAKF-UHFFFAOYSA-N 310.357 1.808 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 79412706 NNWRFSQGMWKXDY-ZFWWWQNUSA-N 319.405 1.499 0 40 DDAB O=C(NCCCn1ccnn1)N[C@@H]1C[C@H]1c1cccc(F)c1 182349644 YBCXTBNOWXWNKB-UONOGXRCSA-N 303.341 1.663 0 40 DDAB Cc1cc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1 72368758 PGHVXPQZZZJIRE-ZDUSSCGKSA-N 306.391 1.681 0 40 DDAB COCCNc1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72364902 NFWCANJKNDJGNW-LBPRGKRZSA-N 313.423 1.279 0 40 DDAB COC[C@@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218469741 FIWUXWIFWKYTGM-GVXVVHGQSA-N 302.323 1.054 0 40 DDAB c1ccn2nc(-c3nnc(CN4CCSCC4)o3)cc2c1 40714570 RGJMVUJPZWJIQB-UHFFFAOYSA-N 301.375 1.933 0 40 DDAB COCC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccnc(N)c1 72360812 RWWKGAWBLNRWTF-ZDUSSCGKSA-N 315.377 1.754 0 40 DDAB CCOc1cc(C(=O)NCCN2CCOCC2)cc2occc12 72240137 JCWCMSNZJSTZBA-UHFFFAOYSA-N 318.373 1.894 0 40 DDAB COc1cnc(NS(=O)(=O)c2ccc3c(c2)CCC3)nc1 225633096 BIMWLVZNYYWSFF-UHFFFAOYSA-N 305.359 1.775 0 40 DDAB Cc1cccc(CN2Cc3nc(N4CCOCC4)ncc3C2=O)c1 46088756 QZSRRTXQOBHGJR-UHFFFAOYSA-N 324.384 1.778 0 40 DDAB CN(c1ccccc1C(=O)NCc1ccncc1)S(C)(=O)=O 47219343 JGPPHYATLYYTEO-UHFFFAOYSA-N 319.386 1.407 0 40 DDAB CCOc1ccccc1OCc1ncc(CCC(=O)O)c(=O)[nH]1 223445584 LUCBASSZMSGYGS-UHFFFAOYSA-N 318.329 1.765 0 40 DDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C=O)CC1 224987860 BCZFJCPEZQNUSZ-UHFFFAOYSA-N 310.781 1.798 0 40 DDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccnn2C)C1 96420651 XSGASMKUKPNKCT-CYBMUJFWSA-N 321.425 1.114 0 40 DDAB Cc1ncsc1NC(=O)CN1CCN(c2ccccn2)CC1 331847679 GPIKZELOXHPIBY-UHFFFAOYSA-N 317.418 1.607 0 40 DDAB O=C(c1ccc[nH]1)N1CCn2nnc(COCC3CC3)c2C1 96255984 DVZREXGLCNXJOL-UHFFFAOYSA-N 301.350 1.189 0 40 DDAB COCCCNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 96192082 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40 DDAB Nc1cc(CC[C@H]2CN(C(=O)c3cscn3)CCO2)ccn1 257228394 FTQGHVNOEVITSI-LBPRGKRZSA-N 318.402 1.594 0 40 DDAB COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H](C)c2nnn[nH]2)c1 252587227 WMEMABXRLRCNBR-BPNCWPANSA-N 315.377 1.574 0 40 DDAB Cc1c[nH]c(-c2cncc([C@H]3CCCN3C(=O)CN(C)C)n2)n1 257265287 LYAHDXVEPLXGRK-CQSZACIVSA-N 314.393 1.400 0 40 DDAB COCCN1CC[C@H](Cc2cnc(-c3cnn(C)c3)cn2)C1 257263965 LSGZFNQCEIUYAK-CYBMUJFWSA-N 301.394 1.388 0 40 DDAB CCN(CC)C(=O)CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257253592 JZMOWOYZYRHPGY-SJLPKXTDSA-N 320.433 1.759 0 40 DDAB CSc1cccc(S(=O)(=O)Nc2ccnc(C(N)=O)c2)c1 252508263 XINHFEGUOLVFIX-UHFFFAOYSA-N 323.399 1.703 0 40 DDAB COc1cccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)c1 257272874 NEESRZILOGCKMR-INIZCTEOSA-N 315.373 1.512 0 40 DDAB O=C1CCCN1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 85436556 NIEXXQSNBQQNPE-UHFFFAOYSA-N 322.430 1.603 0 40 DDAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2cnc(C)n2C)C1 257237107 HFEUCFAYVWOHGU-CQSZACIVSA-N 313.405 1.987 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257307153 SXKHNUBKAIRVID-KBPBESRZSA-N 315.366 1.130 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCc2ncncc2C1 96122855 KMOYZQVXGONQQN-UHFFFAOYSA-N 307.350 1.671 0 40 DDAB CC[C@H](C(=O)NCc1nc(OC)nc(OC)n1)c1ccccc1 575604255 VOQMQWPOBNJUKW-LBPRGKRZSA-N 316.361 1.699 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)NCC[C@@H]1CCCO1)C2 64487662 LRKUCNKDMOIDRL-KGLIPLIRSA-N 305.374 1.932 0 40 DDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccnc(C)c1 585278552 UNNBMLYMUTXELA-INIZCTEOSA-N 305.378 1.147 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(CCn3nccn3)C2)nc1 1776000840 MOQLGHICJGIZJN-AWEZNQCLSA-N 302.382 1.168 0 40 DDAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@@H](C(N)=O)C1 53894702 XDAHHQFPKLHYCH-SMDDNHRTSA-N 302.374 1.276 0 40 DDAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 54691911 SNNDDEGEMVDEQU-NHYWBVRUSA-N 316.332 1.936 0 40 DDAB Cc1cn2nc(N3CCN(c4cnn(C)c4)CC3)sc2n1 74773699 JDKMSGHZSGCENI-UHFFFAOYSA-N 303.395 1.159 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)NCc3ccco3)C2)n[nH]1 84111029 HXLXZNAVYFVULK-CYBMUJFWSA-N 302.378 1.807 0 40 DDAB COCCN1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1 85467913 OAOZBPPJTCUCJG-UHFFFAOYSA-N 322.405 1.544 0 40 DDAB COC(=O)c1nn(CCc2ccccn2)c(=O)c2ccccc12 5334927 RYKCUDFPXOWFJU-UHFFFAOYSA-N 309.325 1.821 0 40 DDAB CCN(CC)C(=O)Cn1nc(C)n2c(cc3sccc32)c1=O 12115216 YFODBXYZAXIIOG-UHFFFAOYSA-N 318.402 1.888 0 40 DDAB CC(C)(C)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 12146731 UZCXUSXIXTVZLI-UHFFFAOYSA-N 306.391 1.469 0 40 DDAB Cc1ccc2c(c1)cc(C)c1nn(CC(=O)NC3CC3)c(=O)n12 12181989 OQOFLAAZWHFJPX-UHFFFAOYSA-N 310.357 1.545 0 40 DDAB CCn1c(C)nc2cc(NC(=O)C3CN(C(C)=O)C3)ccc21 19747564 KGBXOSYOUOEDTM-UHFFFAOYSA-N 300.362 1.781 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1ccc(C(C)=O)cc1)OC 575613585 UGFSSOVXHKHTJY-AWEZNQCLSA-N 315.391 1.219 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC3(CC=CCOC3)CC2)c1 1848354258 IFRPOXMTEGSZJD-UHFFFAOYSA-N 311.407 1.168 0 40 DDAB Cc1cc(S(=O)(=O)NCCN(C)C)ccc1Br 5156583 NGWKJJRMNHMYAS-UHFFFAOYSA-N 321.240 1.597 0 40 DDAB CC(=O)N[C@H](C)C(=O)NCc1ccc(OCC(F)(F)F)cc1 25443074 ANKNRVNUQOYZSD-SECBINFHSA-N 318.295 1.769 0 40 DDAB O=C(c1ccoc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 244909805 AWIPBBYPYDVRFP-BETUJISGSA-N 300.314 1.055 0 40 DDAB O=C(Cc1ccccn1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@H]21 1565542179 CSUCGMLGIWIXIE-SJLPKXTDSA-N 322.412 1.752 0 40 DDAB CCOc1ccccc1NC(=O)NCCn1ncccc1=O 23237034 XJJHQMAOYNKEIV-UHFFFAOYSA-N 302.334 1.464 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2nc3ccccc3[nH]2)CC1 38934835 QHLSUPAKUIFMTP-UHFFFAOYSA-N 306.391 1.177 0 40 DDAB O=C(c1cc(-c2cccnc2)on1)N1CC(Nc2ncccn2)C1 238844108 IAZJWCHOBGWEMZ-UHFFFAOYSA-N 322.328 1.463 0 40 DDAB COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CO)cc1=O 12230771 XOSMUFXRDWDGOQ-UHFFFAOYSA-N 322.748 1.641 0 40 DDAB CC(=O)Nc1nc(C(=O)NCc2ccnc(N(C)C)c2)cs1 31238755 SIJIJGNOFORNNO-UHFFFAOYSA-N 319.390 1.493 0 40 DDAB CC(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1 51357185 VULRBMFUYOPZLA-UHFFFAOYSA-N 301.298 1.955 0 40 DDAB Cn1ncc2c(NCCCO)nc(NCc3ccccc3)nc21 20719014 XEBDDVXKHQREHG-UHFFFAOYSA-N 312.377 1.770 0 40 DDAB 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O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc[n+]([O-])c1 73842865 ZRTSYERUYJKRFU-KRWDZBQOSA-N 311.385 1.714 0 40 DDAB CN1C[C@H](C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1=O 74456821 MOOYTKDIXYFAJY-SSDOTTSWSA-N 321.324 1.599 0 40 DDAB Cc1n[nH]c([C@@H]2CN(Cc3cn4ccsc4n3)CCO2)n1 76048512 IDDITJMXQQLPNL-NSHDSACASA-N 304.379 1.396 0 40 DDAB CNC(=O)c1cccnc1N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1 78264982 BQBGETWMGVTXCO-QWHCGFSZSA-N 318.421 1.937 0 40 DDAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(Br)cc1 101809 JWEFCHPNELQKFS-JTQLQIEISA-N 320.208 1.906 0 40 DDAB O=C(CN1CCO[C@H](c2nccs2)C1)Nc1nccs1 97199819 PFKDLPYJVAZRGO-VIFPVBQESA-N 310.404 1.612 0 40 DDAB O=C(COc1ccc2ccccc2c1)N1CC(n2nccn2)C1 888106979 HHFGTWVYJPRJMA-UHFFFAOYSA-N 308.341 1.894 0 40 DDAB COC(CNC(=O)CCn1c(=O)sc2ccccc21)OC 5014775 RVNKSZZBSLJBKF-UHFFFAOYSA-N 310.375 1.188 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCC(=O)N3C=O)ccc12 5378590 KXNVGQCODMKTBC-GFCCVEGCSA-N 314.297 1.187 0 40 DDAB Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2)nc(O)c1C 13407898 GZXBUJYTKCCNAL-UHFFFAOYSA-N 322.346 1.309 0 40 DDAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 13739453 CVMKBQNZELJYMA-FNORWQNLSA-N 314.798 1.678 0 40 DDAB CCOc1ccc2nc(NC3=NCN(CC)CN3)nc(C)c2c1 19332630 QEIHXMVZOJEQAJ-UHFFFAOYSA-N 314.393 1.945 0 40 DDAB CC1=NN(CCC(=O)N2CC[C@H]3[C@H]2CCCCCN3C)CC1 19712160 WXBSOOGVMOJVTH-JKSUJKDBSA-N 306.454 1.933 0 40 DDAB COc1ncccc1C(=O)N1CCc2c(cnc3cc(C)nn23)C1 208036623 KLJWDTBTJQKIRK-UHFFFAOYSA-N 323.356 1.640 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccnc2)c1 6244617 IEHPSODNGWHTRN-UHFFFAOYSA-N 319.386 1.262 0 40 DDAB CC(C)c1nc(N2CCN(C(=O)C3CCC3)CC2)nc(O)c1F 1888834272 PSOJUGIRLOJPSC-UHFFFAOYSA-N 322.384 1.893 0 40 DDAB CC(=O)N1C[C@@H]2C[C@H](C)N(c3nc(C)nc4cnccc34)[C@H]2C1 1888842899 BQYNYTMIECXWBB-NKFCBESUSA-N 311.389 1.779 0 40 DDAB CCCSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 22699372 NGZPZMSCUHSCJP-UHFFFAOYSA-N 322.434 1.827 0 40 DDAB O=C1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CCN1 29760249 OKOQLEVAFDYJEY-UHFFFAOYSA-N 303.145 1.331 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)NCCc1ncn[nH]1 80624020 JEXZIRGXIPYFEY-UHFFFAOYSA-N 300.771 1.288 0 40 DDAB CC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 96263613 CUDOZJKUYWRUCN-NVXWUHKLSA-N 316.405 1.353 0 40 DDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)CC1(O)CCC1)C2 1565542624 RQIUAVGSBUPQSN-CYBMUJFWSA-N 307.394 1.280 0 40 DDAB O=C(c1csnn1)N1CCc2ncnc(NC3CC3)c2CC1 1565550216 UVLFQCKYUSZJPS-UHFFFAOYSA-N 316.390 1.143 0 40 DDAB NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 534624 OVTYKIUGSFYWRG-XIRDDKMYSA-N 306.381 1.979 0 40 DDAB CCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 4850711 OKIMJSNPJIIGHW-UHFFFAOYSA-N 308.403 1.600 0 40 DDAB O=C(NCC1CCN(c2cccnc2)CC1)NC[C@H]1CCCO1 225559170 IZJXDNMAPGISLZ-MRXNPFEDSA-N 318.421 1.776 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)cc1 4139244 ANEVENWSBHZRGE-HNNXBMFYSA-N 313.357 1.962 0 40 DDAB CC(C)CCC[C@H](O)CCC[C@H](O)[C@H]1C(=O)OC[C@@H]1CO 2332243362 LOXPKHZOCSKDSQ-AJNGGQMLSA-N 302.411 1.486 0 40 DDAB CCC(=O)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 38110617 RGMUIDQGTYFBSV-UHFFFAOYSA-N 314.382 1.459 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)Cc2c(C)noc2C)cc1 31577108 XVBWJOUPIGFLBQ-HNNXBMFYSA-N 304.346 1.692 0 40 DDAB COC(=O)c1ccoc1COc1c(OC)cccc1C(N)=O 32899444 JNEKVHAXYAONDM-UHFFFAOYSA-N 305.286 1.753 0 40 DDAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1O 551954 XYNPMJBJGUPPMU-CQSZACIVSA-N 320.345 1.980 0 40 DDAB C[C@@H](C(N)=O)N1CCN(Cc2csc3ccccc23)CC1 22786028 CISOKDKDQQKYQZ-LBPRGKRZSA-N 303.431 1.893 0 40 DDAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CCn1cnnn1 3193266 AHCODKTUONRWQW-YRNVUSSQSA-N 319.321 1.549 0 40 DDAB CCOC[C@@H](O)CN1CCC(NC(=O)CC2CCCC2)CC1 78700040 CWPIZKKYXWKVPJ-INIZCTEOSA-N 312.454 1.545 0 40 DDAB CCN(C(=O)NCc1ccsc1)[C@H](C)CS(C)(=O)=O 78808577 GAXXAVCMDRSJAQ-SNVBAGLBSA-N 304.437 1.713 0 40 DDAB O=C1NC(=O)C(CCC[n+]2ccccc2)(c2ccccc2)C(=O)N1 1563664 YDRIPRVNEIAJBJ-UHFFFAOYSA-O 324.360 1.058 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 3605918 LLXPFZWBFBDPFL-LLVKDONJSA-N 317.794 1.331 0 40 DDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCO1 4354883 HNGLZPGVDVLMPF-OCCSQVGLSA-N 306.362 1.597 0 40 DDAB CN1CCN(C(=O)c2ccc(I)o2)CC1 6002289 YGAWTWLOFQMRIO-UHFFFAOYSA-N 320.130 1.272 0 40 DDAB Cc1cc(C)n(CC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)n1 43486138 QNHZBFXBGTVEEU-CQSZACIVSA-N 300.362 1.382 0 40 DDAB Cc1n[nH]c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c1Br 56198354 VYSQCGABLAWMHY-DTWKUNHWSA-N 314.183 1.874 0 40 DDAB CCN1CCN(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)CC1 95413649 LDYOAEPMYZSSCH-RDJZCZTQSA-N 319.449 1.888 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O 110591871 BQSMUFXGLRLKIO-FQUUOJAGSA-N 318.483 1.529 0 40 DDAB CC(=O)Nc1ccc(F)c(C(=O)OCCc2cnccn2)c1 58209215 VXYHWLCJPDITTE-UHFFFAOYSA-N 303.293 1.974 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCCNC2=O)cc1F 44967102 AQSMAOVFMGYWRS-ZWNOBZJWSA-N 323.368 1.863 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)N[C@H]1CCCCNC1=O 44967942 JPNJOQVWFTZCQN-AWEZNQCLSA-N 317.389 1.826 0 40 DDAB C[C@H]1COCCN1C(=O)c1ccc(Cn2ccccc2=O)o1 44912341 HVNSDTJUEYQQAU-LBPRGKRZSA-N 302.330 1.351 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1 102913340 DQGUCBMVTJLPTL-RYUDHWBXSA-N 301.346 1.504 0 40 DDAB CC(=O)c1cccc(OCCCC(=O)NCc2nncn2C)c1 58795286 DLLJHTJVFWAZKD-UHFFFAOYSA-N 316.361 1.493 0 40 DDAB CCCNC(=O)CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 58377927 SXDNVTXWRXSTKV-ZDUSSCGKSA-N 313.442 1.749 0 40 DDAB CC(=O)Nc1ccc(C(=S)NCCCN2CCCC2=O)cc1 3348947 ZJCQWLBUUNYXNZ-UHFFFAOYSA-N 319.430 1.923 0 40 DDAB C[C@H]1c2cccn2CCN1CC(=O)Nc1sccc1C(N)=O 12881039 GRXCWMNHLAPELX-JTQLQIEISA-N 318.402 1.664 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)c2cncc(Br)c2)C1 62913098 GQNAFRRPYREZKC-GFCCVEGCSA-N 313.151 1.781 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 71144626 SESHFJQDKMHNGI-NSHDSACASA-N 302.827 1.878 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1Cl 9156297 PPMUUVOWIQYGHJ-ZCFIWIBFSA-N 324.797 1.809 0 40 DDAB CCN1CCN(CCC(=O)Nc2cc(C)ccc2OC)CC1 19528174 HRZWMSUEPWIQOI-UHFFFAOYSA-N 305.422 1.970 0 40 DDAB Cc1noc(C)c1C(=O)OCN1C(=O)c2ccccc2C1=O 5220157 FDLZEUZJQGOWPH-UHFFFAOYSA-N 300.270 1.702 0 40 DDAB C[C@@H](C(=O)N1CCCN(c2nccs2)CC1)n1ccnc1 65495111 SGJFGBYOYZIEAR-LBPRGKRZSA-N 305.407 1.640 0 40 DDAB O=S(=O)(NCC[C@@H]1CCCO1)N1CCc2ccccc2C1 65550170 PQSZGWYEKIEJEI-HNNXBMFYSA-N 310.419 1.448 0 40 DDAB CN(C)c1ncnc2c1CN(C[C@@H](O)c1cccc(F)c1)CC2 65520877 IDRSSKPTLWFLBV-MRXNPFEDSA-N 316.380 1.773 0 40 DDAB Cc1nc(CCNC(=O)NCC(=O)NC2CCCCC2)cs1 65515676 SMUUGOMVRUANHH-UHFFFAOYSA-N 324.450 1.742 0 40 DDAB O=C1C(=O)N(C2CC2)C(=O)N1CN1CCc2sccc2C1 14138039 BSYGUDSAHMXLSQ-UHFFFAOYSA-N 305.359 1.017 0 40 DDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccco2)o1 96114239 KFCMRSSDYIZYTA-JTQLQIEISA-N 308.286 1.780 0 40 DDAB biogenic CCNC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(F)cc1 67245511 PHSQJBJJQOHRMG-UHFFFAOYSA-N 312.326 1.099 0 40 DDAB CNC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409139649 CGIMYODKHSVZRA-UHFFFAOYSA-N 304.331 1.701 0 40 DDAB CC[C@@H](CO)NC(=O)NCC1CCN(Cc2ccccc2)CC1 67772845 FEKZCXYKCYHHGS-KRWDZBQOSA-N 319.449 1.969 0 40 DDAB O=C([C@H]1CCOC1)N1CCN(C2Cc3ccccc3C2)CC1 67967640 AUDGUFUBWIKDJR-INIZCTEOSA-N 300.402 1.335 0 40 DDAB CC(C)NC(=O)[C@@H](C)N(C)Cc1nccn1CC(F)(F)F 68823230 LXZHOMISLPFHBT-SNVBAGLBSA-N 306.332 1.790 0 40 DDAB CN1CCN(CN2C(=O)S/C(=C/c3cccs3)C2=O)CC1 20265976 IEXMOBBMOAJFDW-FMIVXFBMSA-N 323.443 1.989 0 40 DDAB CCN(CC)CCCNS(=O)(=O)c1cccc(C(C)=O)c1 8131718 GXMDFKKLMTVFIM-UHFFFAOYSA-N 312.435 1.899 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)NCCO 69202560 VVZPLCSWUQPDHR-GFCCVEGCSA-N 319.405 1.981 0 40 DDAB Cc1nnc2ccc(N3CCN(CCc4ccccn4)CC3)nn12 71816312 GRQKYABAJBVJAM-UHFFFAOYSA-N 323.404 1.192 0 40 DDAB Cc1cc(C[S@](=O)[C@H](C)C(=O)NCc2ccccc2)no1 71859231 PAZNTJACFDTTCL-XUSGNXJCSA-N 306.387 1.937 0 40 DDAB Cn1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c(C(F)(F)F)n1 71839723 BLRIAWFMKGMUQS-SNVBAGLBSA-N 316.327 1.749 0 40 DDAB CCc1ncc(C(=O)N2CCC(N3CCNC3=O)CC2)s1 71830960 HFCXYEGJDBEHMO-UHFFFAOYSA-N 308.407 1.335 0 40 DDAB COc1cc(C)c(S(=O)(=O)CC(=O)NC2CC2)cc1OC 69885530 BOPOXKAIWOWVEX-UHFFFAOYSA-N 313.375 1.065 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1Cl 69974470 LBLBMDNZWJPKPU-SSDOTTSWSA-N 312.757 1.554 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccnc3cc(F)ccc23)C1 97103064 HVIOBVXTXIBXQO-GFCCVEGCSA-N 323.393 1.892 0 40 DDAB Cn1cc(CNCC(=O)NC(C)(C)C)c(-c2cccnc2)n1 97159952 PFRBDBCHWZCCIA-UHFFFAOYSA-N 301.394 1.486 0 40 DDAB O=C(O)Cc1ccc(NC(=O)c2nccnc2C(=O)O)cc1 72400333 JBTQEDZRCPDTEO-UHFFFAOYSA-N 301.258 1.054 0 40 DDAB C[C@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)N1CCCCC1 95396803 COBXRZWSHCBFNK-GXTWGEPZSA-N 302.374 1.680 0 40 DDAB CCc1c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cnn1CC(C)C 95439571 MMKIWBLZVQZCFA-CHWSQXEVSA-N 320.437 1.875 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1 95940292 TVBWGTLHBMXQGD-TWRYWWQQSA-N 318.417 1.813 0 40 DDAB Cc1c(C(=O)NCC(C)(C)C)cnn1[C@H]1CCS(=O)(=O)C1 95954696 RDQBCFOQMIYAOE-NSHDSACASA-N 313.423 1.327 0 40 DDAB Nc1nc(Cl)cc(N2CCN(Cc3cccnc3)CC2)n1 95947937 RHSFVRJENHPYJR-UHFFFAOYSA-N 304.785 1.429 0 40 DDAB CC(C)[C@H](CCO)N[C@H](C)C(=O)N1CCc2ccccc2C1 95941186 JBYNFCWDFUORGV-PBHICJAKSA-N 304.434 1.956 0 40 DDAB Cn1nccc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 95965433 MYAHEQSRLMAGEZ-AWEZNQCLSA-N 313.357 1.534 0 40 DDAB O=C(C[C@H]1CCCN1c1ccc2nnnn2n1)c1cccs1 95994807 YPZVZTHZEVQZIN-SNVBAGLBSA-N 314.374 1.823 0 40 DDAB CCCNC(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408975523 LLFGTOCGQBIDDL-UHFFFAOYSA-N 310.313 1.417 0 40 DDAB CCc1nncn1CCNC(=O)Nc1ccc2c(c1)CCCO2 76069828 MGBRZZAXBQTOAS-UHFFFAOYSA-N 315.377 1.987 0 40 DDAB Cc1ccc(F)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 25897874 ANQHZZYSYVKOAL-LLVKDONJSA-N 314.382 1.744 0 40 DDAB CCCN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 409236961 INLSMQIGFHMISL-DHZHZOJOSA-N 314.345 1.180 0 40 DDAB CC[C@H]1CN(C(=O)NC2CCC(C(=O)NC)CC2)C[C@@H](C)O1 78925297 YROBDJPPIAVODU-RYSNWHEDSA-N 311.426 1.500 0 40 DDAB NC(=O)CN1CCC(c2csc(Nc3cnccn3)n2)CC1 72367839 SDNBHJMZWQLOQR-UHFFFAOYSA-N 318.406 1.341 0 40 DDAB O=C(O)CN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 37594586 LNNYDAKSMKIACB-GFCCVEGCSA-N 317.794 1.414 0 40 DDAB S=C(NCN1CCCCC1)C(=S)NCN1CCCCC1 34707364 ULTZRPKDLGCMKO-UHFFFAOYSA-N 314.524 1.707 0 40 DDAB CC(=O)Nc1nc(C2CN(C(=O)c3coc(C)n3)C2)cs1 72368604 UXTQXSLMAMDGKH-UHFFFAOYSA-N 306.347 1.638 0 40 DDAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 79474975 DCVAYOGNHYCMER-LBPRGKRZSA-N 319.386 1.004 0 40 DDAB COc1ccccc1OCCNC(=O)NCc1ccncc1 44892477 JAGNKCCXRMCTHL-UHFFFAOYSA-N 301.346 1.968 0 40 DDAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1cccs1 75162114 LSXPXZNEYIOUGG-UHFFFAOYSA-N 310.404 1.939 0 40 DDAB O=C1CS[C@@H]2CCc3c2n1c(=O)n(C1CCCCC1)c3=O 41105017 SDZRMRQZNYBCFO-LLVKDONJSA-N 306.387 1.890 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2cnc(C)cn2)O1 225762032 SPGYZFHWSSKCED-ZZVYKPCYSA-N 319.361 1.109 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccccc1F)C(=O)N2 40386743 JWSWACRAXGITJE-VIFPVBQESA-N 303.297 1.323 0 40 DDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc2ccccc2c1 40166812 IWCBSXPVIDXOSQ-UONOGXRCSA-N 318.423 1.700 0 40 DDAB Cc1ccc2c(cnn2CCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 40758735 DHCPYQDGMANIMI-ZDUSSCGKSA-N 321.402 1.038 0 40 DDAB Cn1nccc1[C@H]1CCCCN1C(=O)COC1CCNCC1 573501800 AOFSFPIRYYCLDV-OAHLLOKOSA-N 306.410 1.242 0 40 DDAB Cn1cc(S(=O)(=O)NC(C)(C)COCc2ccccc2)cn1 225587289 FIPVXFQFSIENRZ-UHFFFAOYSA-N 323.418 1.694 0 40 DDAB COc1cccc(N2C[C@@]3(CCN(C(=O)N(C)C)C3)CC2=O)c1 96238945 DEIVKGQCUOVCLW-KRWDZBQOSA-N 317.389 1.806 0 40 DDAB Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2ccoc2)CC3)cn1 96199757 PPQVFWNKZSYZRB-HNNXBMFYSA-N 314.389 1.651 0 40 DDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)c2occc2C)C3)o1 96038813 YQXRUDNZXPFKAY-MLGOLLRUSA-N 317.345 1.852 0 40 DDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCCC3)OCC(=O)N2C)cc1 96181566 QCVUGVBHRHWAOA-JKSUJKDBSA-N 302.374 1.516 0 40 DDAB Cc1nc(-c2noc3ccc(C(=O)NCCO)cc23)cs1 96037863 FFUPUZGCVQEPMA-UHFFFAOYSA-N 303.343 1.982 0 40 DDAB COCc1cc(=O)n(Cc2nnc(-c3ccccc3)s2)cn1 97379816 NFSIDCYIMCZIRS-UHFFFAOYSA-N 314.370 1.957 0 40 DDAB Cc1nnc(N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3=O)C2)s1 97953442 GLDQGJFZABOKCB-SCRDCRAPSA-N 322.434 1.453 0 40 DDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc(C)nn1CC 96042001 GVSJDBQYYAUAIQ-AEGPPILISA-N 307.394 1.620 0 40 DDAB C[C@@H]1CN([C@H]2CCOC2)C[C@]12CCN(c1cccnc1)C2=O 96201759 MFYIURGHUBDQGH-UKPHBRMFSA-N 301.390 1.545 0 40 DDAB CO[C@@H]1CO[C@@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1 96072213 OSWZORFYTZBCRR-CABZTGNLSA-N 303.284 1.880 0 40 DDAB CN(C)Cc1nn(C)c2c1CCN(C(=O)c1ccc(F)cc1)C2 96084143 XLILMRVWZDSGLN-UHFFFAOYSA-N 316.380 1.819 0 40 DDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 245287209 BLOOAOZHUDWTKH-IGQOVBAYSA-N 314.451 1.353 0 40 DDAB CCC[C@@H]1Cn2nnc(C(=O)OC)c2CN1C(=O)OC(C)(C)C 242390139 AAHWVOFSHGGCFI-SNVBAGLBSA-N 324.381 1.984 0 40 DDAB O=C1CCCN1C[C@H]1CN(C2CCOCC2)Cc2cncn21 248005529 SRCFLLWDUBBEST-HNNXBMFYSA-N 304.394 1.041 0 40 DDAB O=C(N[C@H](CO)C(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 252494287 NRAGGSMVWLGJNK-HRCADAONSA-N 316.401 1.426 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(COC)C(=O)O 252515801 NTEMSNPWKMYJHC-GUTXKFCHSA-N 312.387 1.613 0 40 DDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 257317663 VKRAPOHDKARCAE-OAHLLOKOSA-N 300.362 1.524 0 40 DDAB CCc1nccn1CCC(=O)N1CC[C@@H](c2[nH]ncc2C)C1 257244791 IMTODYDYTJZSFK-CYBMUJFWSA-N 301.394 1.883 0 40 DDAB Cc1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)oc1C 64140080 QBCBTEHVPRDCCQ-AWEZNQCLSA-N 307.394 1.362 0 40 DDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@H]1O 257312294 UNGIMOYFZHCEIP-MGPQQGTHSA-N 305.378 1.402 0 40 DDAB O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2C(=O)[C@H]3OC[C@@H](O3)[C@H]12 253588213 PGHKUIMAONOIHP-WCCFOQQASA-N 323.142 1.818 0 40 DDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 257315136 VAAIRPBJMOUGAD-LBPRGKRZSA-N 301.350 1.041 0 40 DDAB CNc1cc(CC[C@H]2CN(C(=O)c3cc[nH]n3)CCO2)ccn1 257269644 MQTZGDHVJARIHW-ZDUSSCGKSA-N 315.377 1.320 0 40 DDAB Oc1cc(CC[C@@H]2CN(Cc3nccs3)CCO2)ncn1 257340676 ZHDRTEWBPPFELR-GFCCVEGCSA-N 306.391 1.472 0 40 DDAB CCC(=O)N1CCC[C@H](C(=O)OCC(=O)NC(CC)CC)C1 40554437 OGAOWAJFEPBFTG-LBPRGKRZSA-N 312.410 1.483 0 40 DDAB COc1ccc(C(=O)N2CC[C@H](Oc3ncccn3)C2)cn1 575604758 ATFSLYQDKLNYHE-LBPRGKRZSA-N 300.318 1.174 0 40 DDAB COc1ncccc1C(=O)NC1CCN(c2cnsn2)CC1 575607387 NMGDJSIQYNETBR-UHFFFAOYSA-N 319.390 1.341 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1CCn2ccnc2C1 678800708 QBQWMNOPFLDHMV-CQSZACIVSA-N 315.421 1.545 0 40 DDAB COc1ccc([C@@H](O)CNC[C@@H]2CNc3cc(C)nn3C2)cc1 69560801 NKLRKPZKKYCQCS-CJNGLKHVSA-N 316.405 1.565 0 40 DDAB CC(C)(CNC(=O)N1C[C@H](N)C2(CCC2)C1)c1ccncc1 1553472582 MONAABCZCDWGPU-AWEZNQCLSA-N 302.422 1.882 0 40 DDAB Cc1nccc(NC(=O)NC[C@H]2CCN2C2CCOCC2)n1 930837295 MFVKYEPBJAROFB-CYBMUJFWSA-N 305.382 1.160 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1 71897077 ZMRLZDFWLVJGRB-JSGCOSHPSA-N 314.389 1.746 0 40 DDAB COc1cccc2c1OCC(C(=O)N[C@@H]1CCCN(C)C1)=C2 72280468 HEMWWANOWDEBKU-CQSZACIVSA-N 302.374 1.681 0 40 DDAB Cc1cccc(NC(=O)CN(C)CCCn2cncn2)c1C 48345361 UAFIJEQYYHCSDH-UHFFFAOYSA-N 301.394 1.856 0 40 DDAB CCc1nc([C@@H]2CCCN2CCC(=O)N2CCOCC2)no1 75573218 HVOCLAOOWLFKCQ-LBPRGKRZSA-N 308.382 1.018 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O 93470038 AFUGGWGISAKPQR-QWHCGFSZSA-N 302.440 1.797 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](CN)CC(C)C)cc1C 95394514 RTOQTMOCFJMCPX-GFCCVEGCSA-N 300.424 1.655 0 40 DDAB O[C@]1(COc2ccccc2)COCCN(C2CCOCC2)C1 1615191385 KSNNNMQXHGUNIB-KRWDZBQOSA-N 307.390 1.308 0 40 DDAB O=C(C[C@@H](NCCO)C(=O)O)Nc1cccc(Cl)c1Cl 16791120 CZKROWHSDIRVMC-SECBINFHSA-N 321.160 1.357 0 40 DDAB COCCOc1cc(C(=O)N2CCC(F)(F)CC2)ccn1 253473027 RBTZFORVPUXBCK-UHFFFAOYSA-N 300.305 1.978 0 40 DDAB Cc1nn(CCNS(=O)(=O)C2CC2)c(C)c1-c1ccco1 575606181 DNUKOAXDSALZBL-UHFFFAOYSA-N 309.391 1.842 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O 253192 NGVTZVFPYAQSBY-UHFFFAOYSA-N 323.308 1.353 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 4968806 VKUKFXWWYFSGIS-UHFFFAOYSA-N 310.331 1.499 0 40 DDAB CSc1nnc(SCC(=O)NC(=O)NCC(C)C)s1 5872309 GPVGZWPHPDILGS-UHFFFAOYSA-N 320.465 1.834 0 40 DDAB CN1CCCC[C@@]2(CN(C(=O)CC3CCCC3)CCO2)C1=O 2037984969 UAXPOKFIFRNUHN-QGZVFWFLSA-N 308.422 1.807 0 40 DDAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(O)CC1 4374026 BKNLFNXHDHEDKX-LBPRGKRZSA-N 321.352 1.097 0 40 DDAB CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152838 WWQDPWGZIYFFJH-AWEZNQCLSA-N 313.357 1.246 0 40 DDAB Cc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1 8559456 DWYZEAZGOQPKOX-UHFFFAOYSA-N 315.358 1.685 0 40 DDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1ccc2nsnc2c1 575615051 BKGFKAAJCCYLTN-ZDUSSCGKSA-N 316.390 1.737 0 40 DDAB Cc1ccnc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1 2298176278 VXXDEHFMSNNTQD-UHFFFAOYSA-N 312.421 1.329 0 40 DDAB Cc1nnc2c(N3CC[C@H](COc4cnccn4)C3)nccn12 2298215310 OWRUFIHRUXGCLF-LBPRGKRZSA-N 311.349 1.128 0 40 DDAB CCc1nnsc1C(=O)NCc1cccnc1-n1cncn1 40108942 HOUDDECKEBFTJS-UHFFFAOYSA-N 315.362 1.006 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccc2c(c1)OCO2 31055300 DTWYUIQHJLEVTR-NSHDSACASA-N 302.334 1.500 0 40 DDAB OCCN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 20205709 WGJOKZSWIXPZFD-QGZVFWFLSA-N 307.413 1.404 0 40 DDAB CC(=O)N[C@H](CC(=O)N[C@@H](C)Cn1cccn1)c1cccs1 31398383 KOLREMARFKIDRO-WCQYABFASA-N 320.418 1.717 0 40 DDAB c1cncc(CNc2nc(N3CCOCC3)c3nccnc3n2)c1 31819592 UHAJXTOWKBHYAV-UHFFFAOYSA-N 323.360 1.264 0 40 DDAB COC(CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C)OC 51317689 VSCHFUHGWFIVNU-UHFFFAOYSA-N 324.768 1.578 0 40 DDAB Cc1cnc(NC(=O)c2ccc(F)cc2-n2cnnn2)s1 20734926 YIIPKHKOMZYZML-UHFFFAOYSA-N 304.310 1.819 0 40 DDAB Cc1cccc2sc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@@H]43)nc12 32912458 WMUVZSPCQHTYJW-ZJUUUORDSA-N 322.411 1.755 0 40 DDAB COc1ccc2[nH]c3c(=O)n(CCN4CCCC4)cnc3c2c1 525816 OJHHOSXQMOTTSK-UHFFFAOYSA-N 312.373 1.982 0 40 DDAB biogenic Cc1nn(C)c(C)c1NS(=O)(=O)c1cccnc1Cl 22408617 APFPJYXAQJWKIZ-UHFFFAOYSA-N 300.771 1.886 0 40 DDAB O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccc[nH]c1=O 79072351 JRTBYWSJFGVJOP-UHFFFAOYSA-N 321.336 1.837 0 40 DDAB Cc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1C 4637905 RZACQFLTQZUPIC-GJZGRUSLSA-N 320.389 1.854 0 40 DDAB Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)c1 6969460 DDFVVABPAZSZSL-ZSOIEALJSA-N 323.356 1.899 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 102353032 VWPFUVUHGKNBBZ-VTPLQMEGSA-N 319.313 1.297 0 40 DDAB COc1cc(Cn2nnnc2C)c(OC)cc1Br 95412848 DEHHWYVCEZXWJK-UHFFFAOYSA-N 313.155 1.810 0 40 DDAB C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1 57418603 VMANEFWDNPUZHK-LBPRGKRZSA-N 301.346 1.956 0 40 DDAB CCCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)cc1 62132566 KLSAIEKMSNNKQC-NSHDSACASA-N 313.375 1.571 0 40 DDAB CC(C)N1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 27421542 QSDYDTCUGPTYSS-UHFFFAOYSA-N 308.426 1.937 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 58175468 NCVAUBMKFNWSEH-ZFWWWQNUSA-N 318.373 1.551 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C(C)(C)CO1 36076003 OIZLRXWNZUDXAZ-JTQLQIEISA-N 324.402 1.369 0 40 DDAB O=C(O)CCSCC(=O)Nc1cccc(C(=O)NC2CC2)c1 12788855 QOVIAFAEJYGSJU-UHFFFAOYSA-N 322.386 1.725 0 40 DDAB O=c1[nH]c(Cn2cncn2)nc2sc3c(c12)CCCCC3 95975416 FVMPMTRCWXJWMF-UHFFFAOYSA-N 301.375 1.893 0 40 DDAB CCCn1nc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)ccc1=O 44941795 RSOVRLNWHLSCLT-TZMCWYRMSA-N 304.394 1.010 0 40 DDAB COc1ccc(Cl)cc1CS(=O)(=O)c1nncn1C 44947056 IYZOYPISSOUYSZ-UHFFFAOYSA-N 301.755 1.451 0 40 DDAB O=C(c1nnc2ccc(N3CCOCC3)cc2n1)N1CCCC1 57280179 DZZYYMXTKDDFJM-UHFFFAOYSA-N 313.361 1.097 0 40 DDAB O=c1cc(CN2CCN(c3ccccn3)CC2)nc2ccccn12 58329257 CCUUJOBJCGEXAD-UHFFFAOYSA-N 321.384 1.412 0 40 DDAB CC(C)(C)c1nc(CN2C(=O)c3ccccc3S2(=O)=O)no1 58363274 YQADJKOGTBGVEB-UHFFFAOYSA-N 321.358 1.712 0 40 DDAB O=S(=O)(Cc1cccc(Cl)c1)C[C@@H](O)Cn1cccn1 58439395 XUFAMOYVHACDKB-ZDUSSCGKSA-N 314.794 1.512 0 40 DDAB Cc1ccccc1Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C 100887294 HJVGSTVWVTYYBG-UHFFFAOYSA-N 316.386 1.079 0 40 DDAB COc1ccccc1C(=O)NCc1nnc2nc(C)cc(C)n12 12814582 HSRBUMTZGPKBPD-UHFFFAOYSA-N 311.345 1.680 0 40 DDAB COc1ccc(C)cc1NC(=O)CSc1nnc(N)n1C 28047548 NEVCXIONYIUJKV-UHFFFAOYSA-N 307.379 1.445 0 40 DDAB CC[C@@H](C)NC(=O)CN1CCN(Cc2ccc(OC)cn2)CC1 95462340 UVMYRJMGEVONBK-CQSZACIVSA-N 320.437 1.123 0 40 DDAB COc1ccccc1OCCC(=O)N1CCC[C@@H](C(=O)O)C1 13170590 WOMFYXLQOFKQIM-GFCCVEGCSA-N 307.346 1.787 0 40 DDAB O=C(c1ccccn1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005418 ZYFHZYXIZWQRHL-UHFFFAOYSA-N 317.370 1.348 0 40 DDAB Cn1cncc1CCNc1ccc2nnc(C(F)(F)F)n2n1 96011377 RSMFUXUDZWWGFG-UHFFFAOYSA-N 311.271 1.531 0 40 DDAB CC1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 13580380 SOZDBINNQZPXIF-UHFFFAOYSA-N 322.430 1.881 0 40 DDAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 6053471 HEEZPSSKUBKMPA-CQSZACIVSA-N 324.402 1.589 0 40 DDAB COc1ccc(N2C(=O)CS[C@]23CCS(=O)(=O)C3)cc1 5183011 DBIDUCUZDRKEKS-ZDUSSCGKSA-N 313.400 1.290 0 40 DDAB COC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@]1(C)O 4385892 VZHOLBOAQIAJJD-KFNAQCHYSA-N 302.330 1.344 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@H](N2CCCC2)C1)c1nncn1C 65437148 KIRQDNRTXVERLI-OLZOCXBDSA-N 306.414 1.146 0 40 DDAB COC[C@@H](C)NC(=O)NC[C@@H](C)N1CCc2sccc2C1 65428290 ZIOMCZIRNWPCJN-VXGBXAGGSA-N 311.451 1.829 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)[C@]1(N(C)C)CCc2ccccc21 65550246 NNDAFLZSGNWILK-ACJLOTCBSA-N 317.433 1.421 0 40 DDAB COc1ccc(C2c3c(nc[nH]c3=O)Oc3nc[nH]c(=O)c32)cc1 9310910 VRRCMNOMRRSFHO-UHFFFAOYSA-N 324.296 1.148 0 40 DDAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4613905 XTVYWQYFLZVDAA-XQHKEYJVSA-N 317.297 1.066 0 40 DDAB CCN(CN1C(=O)NC(C2CC2)(C2CC2)C1=O)CC(F)(F)F 71792402 WKXIXPZFWZQFPW-UHFFFAOYSA-N 319.327 1.939 0 40 DDAB COCC[C@@H](C)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 96425097 VRUPCUFKECYRQT-CZUORRHYSA-N 324.396 1.740 0 40 DDAB Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)N(C)C 7073619 ZVYWYNBJFLZEFO-LLVKDONJSA-N 305.407 1.848 0 40 DDAB CCCCn1nnnc1CN[C@@H]1CCc2nc(C(C)C)nn2C1 71871791 RVWCOTCEUNEJBQ-GFCCVEGCSA-N 318.429 1.293 0 40 DDAB Cn1ncc(C(=O)N2CCN3CCCC[C@@H]3C2)c1-n1cccc1 71839834 ZPOMRRYFNVDXNK-CQSZACIVSA-N 313.405 1.521 0 40 DDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(C[C@@H]2CCOC2)C1 83836847 SBOATRUTMGIYEG-LSDHHAIUSA-N 307.442 1.149 0 40 DDAB Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 7813508 LTIZTQIHKPTZGJ-OAHLLOKOSA-N 302.374 1.458 0 40 DDAB CCCCOc1ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](C)O)cc1 71921330 LGJBCDLRCVPJTK-DOMZBBRYSA-N 323.389 1.908 0 40 DDAB Cc1[nH]ncc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 81463049 CIZCEZWMEWEDDL-UHFFFAOYSA-N 318.299 1.249 0 40 DDAB Cn1c(COc2cccc3c2CCC[C@H]3O)cc(=O)n(C)c1=O 69157754 HIDFJDGOPRFQMR-CQSZACIVSA-N 316.357 1.033 0 40 DDAB NC(=O)C[C@@H]1CCCCN1C(=O)CCC(=O)c1ccccc1 69433607 SWCSPMGBHWRQAD-AWEZNQCLSA-N 302.374 1.906 0 40 DDAB COC(=O)[C@H](NC(=O)c1cnccn1)c1cc(F)ccc1F 69456641 FCINKHUYXMHFDC-GFCCVEGCSA-N 307.256 1.399 0 40 DDAB Cc1cc(C)n([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 69515380 KJJFKIWJJNXMLE-ZDUSSCGKSA-N 322.434 1.196 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCn2c(C)nnc2C1 69659296 LXYUFZWAQPQFLV-UHFFFAOYSA-N 323.360 1.132 0 40 DDAB CC[C@H](C)N(C)CCNS(=O)(=O)Cc1ccccc1F 69627356 VPLWPMGUIYQHKD-LBPRGKRZSA-N 302.415 1.975 0 40 DDAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)NC(C)C)cn1 69701972 SKUMCMGJCCHXSI-JTQLQIEISA-N 321.406 1.676 0 40 DDAB COC(=O)[C@](C)(NC(=O)[C@@H]1CCOC1)c1cc(F)ccc1F 69702511 CZCGDLDEOGBOLI-RFAUZJTJSA-N 313.300 1.506 0 40 DDAB CN1C(=O)CCc2cc(NC(=O)c3cn4cccnc4n3)ccc21 69843926 HXYAUKRGCHTHGV-UHFFFAOYSA-N 321.340 1.891 0 40 DDAB CC(C)c1nc2n(n1)[C@@]1(CCS(=O)(=O)C1)Nc1ccccc1-2 69900279 NFOGGKVMBWGLLS-OAHLLOKOSA-N 318.402 1.965 0 40 DDAB O=C1NC(=O)[C@@]2(CCN(C(=O)c3csc4c3CCCC4)C2)N1 72290694 UOKPPQYHXIKIGV-HNNXBMFYSA-N 319.386 1.051 0 40 DDAB C[C@H](NCC(=O)NCC(F)(F)F)[C@@H]1COc2ccccc21 97112665 NLCJCPRIDRUGHA-ONGXEEELSA-N 302.296 1.819 0 40 DDAB CN(C)CCN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 72309986 MHIYCEVAOPQFSN-HNNXBMFYSA-N 319.405 1.438 0 40 DDAB CN(C)S(=O)(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984251 GLLQLMVLKNOFDM-NWDGAFQWSA-N 304.799 1.566 0 40 DDAB CC(C)(C)c1n[nH]cc1CN[C@H]1CC(=O)N(CC(F)(F)F)C1 95990100 LVBOVTOYZHUZDM-JTQLQIEISA-N 318.343 1.960 0 40 DDAB CS(=O)(=O)N(CCOc1ccccc1)Cc1ccccn1 89484417 LCRRSYCMDKQBJI-UHFFFAOYSA-N 306.387 1.922 0 40 DDAB C[C@@H](CNC(=O)NCCc1ccccn1)CC1(C)OCCO1 75110046 GTJNNMFXOZUZMG-CYBMUJFWSA-N 307.394 1.713 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(F)c1F 89768146 DVDGTJFCDMDXEK-MNOVXSKESA-N 318.327 1.922 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCc3cccs3)C[C@H]2C)CC1 76055341 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COc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ncn1 503724168 KXXBRJYQNQRBID-LSDHHAIUSA-N 311.389 1.733 0 40 DDAB CCOC(=O)c1c(I)c(C)nn1CC 72226911 JVPCKQBDDKLKGQ-UHFFFAOYSA-N 308.119 1.993 0 40 DDAB CC(C)[C@@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)C(N)=O 135544761 CQFZAFVMVRQCCK-GXTWGEPZSA-N 323.368 1.849 0 40 DDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccco1 71980294 PHUWZIHQQDBDOU-LBPRGKRZSA-N 322.361 1.407 0 40 DDAB COCCNC(=O)c1onc(-c2ccc(OC)cc2)c1[C@H](C)O 225430399 CWYRDYYVGCTGFV-JTQLQIEISA-N 320.345 1.780 0 40 DDAB biogenic,in-vitro O=C(NCCc1ccc(F)cc1)c1cc2c([nH]c1=O)CCC2 49551758 SGSCENPDCGSYIG-UHFFFAOYSA-N 300.333 1.975 0 40 DDAB COc1cc(NC(=O)c2cc(=O)c(OC)co2)cc(OC)c1 40266285 VKEBZDHQNCAWQB-UHFFFAOYSA-N 305.286 1.918 0 40 DDAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1 45954034 QZAOHPSNRAPCAJ-GFCCVEGCSA-N 304.346 1.049 0 40 DDAB CN(CCN1CCC(NC(N)=O)CC1)Cc1ccc(F)cc1 97099729 FSFDLNXLDLGNLM-UHFFFAOYSA-N 308.401 1.390 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2cn(C)nc21 96197989 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Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccon3)CCO2)n1 257305505 SQIBJGZMPSRJQO-HNNXBMFYSA-N 316.361 1.658 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257236332 HBQXHHGQKXOTMZ-LBPRGKRZSA-N 308.407 1.877 0 40 DDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2ccncc2)n1 257260327 LCIKLCSWANDZTD-OAHLLOKOSA-N 311.389 1.911 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257299835 RRTXQYFDRQPMCY-CQSZACIVSA-N 318.402 1.693 0 40 DDAB CN1[C@@H]2CN(C(=O)c3ccncn3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257270545 MURNQGJFUSRJDF-FAYQHZLMSA-N 300.406 1.954 0 40 DDAB Cc1cccc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)n1 257207380 BHMQRXOZIQCTSE-INIZCTEOSA-N 314.389 1.719 0 40 DDAB O=C(c1cccc2c1OCCO2)N1CCOC[C@@H]1c1ccn[nH]1 257228938 FVYCNNLNNAAZTM-CYBMUJFWSA-N 315.329 1.395 0 40 DDAB CC(=O)N1CCC[C@H]2N(C(=O)c3nccn3C)CCC[C@@]21C 257288457 PUGAPJDWXMGPOO-CJNGLKHVSA-N 304.394 1.426 0 40 DDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 257340246 ZFECWOFRKACNSX-CYBMUJFWSA-N 304.394 1.122 0 40 DDAB CC(=O)N[C@@]12CCNC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 257303772 SIQOLUHISIGQRL-CZUORRHYSA-N 321.808 1.280 0 40 DDAB O=C(CCc1ccc(F)cc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 257314163 UVPAWMAUHRKBNJ-HZPDHXFCSA-N 306.381 1.426 0 40 DDAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)NCc1cccc(Cl)c1 585280415 IBVISILUGJOUOH-ZFWWWQNUSA-N 324.808 1.840 0 40 DDAB CCc1nc(C)c(CN2C[C@@H](CC(=O)N(C)C)[C@@H](OC)C2)[nH]1 585275997 CWIQCENWVNOJTJ-OCCSQVGLSA-N 308.426 1.206 0 40 DDAB CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc2ncccn2n1 585140229 AIZRGDVVVCGKNN-VIFPVBQESA-N 302.256 1.115 0 40 DDAB Cn1cc(CN2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)cn1 585279426 LYYKQLKXRWJFCN-WBVHZDCISA-N 303.381 1.985 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccccc1)[C@H](C)C2 585097162 GHCDRVCLGUYHQI-CYBMUJFWSA-N 314.389 1.440 0 40 DDAB Cc1cncc(CCNC(=O)Nc2ccc(OC(C)C)nn2)n1 585101424 LBAPFMNKDKTVDU-UHFFFAOYSA-N 316.365 1.726 0 40 DDAB Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C 585096835 DODBFLYLGXFJFJ-CYBMUJFWSA-N 302.378 1.761 0 40 DDAB CC[C@H]1CN(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)CCO1 30852124 ALLVWQYGOBFHPU-STQMWFEESA-N 318.373 1.438 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)C[C@@H]2CCCO2)c(C)nn1C 72234383 RKOPUCRTXVZIOI-STQMWFEESA-N 307.394 1.970 0 40 DDAB C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCOCC1 58201594 ONYNIXIRDSTMQW-NSHDSACASA-N 318.398 1.878 0 40 DDAB CC(C)(C)C(=O)NCCn1ncc2c(N3CCCC3)ncnc21 38483263 WUAPCRULADSMRE-UHFFFAOYSA-N 316.409 1.589 0 40 DDAB COC(=O)CN(CCC(F)(F)F)Cc1occc1C(=O)OC 75109024 DLUPMGRZFVEZJG-UHFFFAOYSA-N 323.267 1.994 0 40 DDAB C[C@H]1CCC[C@@H](C)N(S(=O)(=O)CCCS(C)(=O)=O)C1 95961876 WUTBKOFBZPBLOM-NWDGAFQWSA-N 311.469 1.261 0 40 DDAB CCCn1c(SCc2nc3nccc(C)c3[nH]2)n[nH]c1=O 97098547 XNOVQEDCDGXXQP-UHFFFAOYSA-N 304.379 1.853 0 40 DDAB O=C(CSC1CCCC1)NCCn1nc(C2CC2)ccc1=O 585410513 KLBDFKNFOWAFHU-UHFFFAOYSA-N 321.446 1.913 0 40 DDAB O=C1CN(c2ncc(Br)cn2)[C@H]2CCCC[C@H]2N1 89764588 GSALECBIUIJGBO-ZJUUUORDSA-N 311.183 1.487 0 40 DDAB O=C(NC[C@H]1CCC[C@H](CNC(=O)NC2CC2)C1)NC1CC1 16137647 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40 DDAB COC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1 16096386 WCLDJCBUPWCQDB-UHFFFAOYSA-N 310.331 1.879 0 40 DDAB COc1ccc(C)cc1[C@@H](C)NC(=O)C1=NN(C)C(=O)CC1 24647560 SRUHOPHULZNBSD-LLVKDONJSA-N 303.362 1.789 0 40 DDAB Cc1ccc(CCC(=O)N2CC(N3C(=O)COC3=O)C2)cc1F 240067964 SFKQYZQYJQGVEW-UHFFFAOYSA-N 320.320 1.256 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cccc(=O)n1C)C2 1565553579 FBBWDLQYNDEZIB-WMLDXEAASA-N 320.389 1.043 0 40 DDAB O=C(Cc1ccccn1)N1CC[C@H]2CN(Cc3ccncc3)C[C@H]21 1565542178 CSUCGMLGIWIXIE-FUHWJXTLSA-N 322.412 1.752 0 40 DDAB CC(C)C(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745847 HRODUUMQNGPKKW-LBPRGKRZSA-N 319.405 1.977 0 40 DDAB O=C(Cn1cnc2ccccc21)N[C@H]1CCN(c2ccccn2)C1 206828365 BCWAPYBBKIQKJL-AWEZNQCLSA-N 321.384 1.826 0 40 DDAB C[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)n1nc2c(cc1=O)CCC2 585150457 LTKDQOXZCTYBAC-VIFPVBQESA-N 324.344 1.203 0 40 DDAB CCN1CCN(c2ncnc3c2ncn3C[C@@H]2CCCO2)CC1 2298047893 RJBXTRUMWUWALQ-ZDUSSCGKSA-N 316.409 1.147 0 40 DDAB O=S(=O)(NCCNc1cnccn1)c1ccc2c(c1)CCC2 30336290 XSPPTQSEFWMVKE-UHFFFAOYSA-N 318.402 1.356 0 40 DDAB COC(=O)CCCNC(=O)c1cccnc1OCC(F)(F)F 40498690 YMWYNVAVOBXTFO-UHFFFAOYSA-N 320.267 1.706 0 40 DDAB O=C(CC1CCCC1)N1CCN(Cc2nnnn2C2CC2)CC1 40497193 DTMDDALVWQBXTE-UHFFFAOYSA-N 318.425 1.233 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1F)C(=O)N2 31813752 GCRQCEDFZGCZRL-SNVBAGLBSA-N 303.297 1.502 0 40 DDAB COCCN1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 51281742 YMEPATGTOOBEET-OAHLLOKOSA-N 300.349 1.262 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cnc(Cl)c(Cl)c1 20549446 LUXYQTKMEWPXSO-ZETCQYMHSA-N 309.174 1.305 0 40 DDAB CCc1cc(NCCN2C[C@H](C)O[C@@H](C)C2)n2ncnc2n1 51651910 ZEDZFAXBHAUWAO-RYUDHWBXSA-N 304.398 1.208 0 40 DDAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cnc(O)[nH]c1=O 32553914 FWMDZPDGFXSOFK-UHFFFAOYSA-N 315.738 1.238 0 40 DDAB CC(C)n1[nH]cc/c1=N\C(=O)[C@@H](C)Sc1nnc(N)s1 101902336 SXUPGKKHCMQSRU-DMPRARNXSA-N 312.424 1.439 0 40 DDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 32784526 RUNHUIMTASVGTQ-VIFPVBQESA-N 303.409 1.286 0 40 DDAB O=C(CCn1cncn1)N1CCCN(Cc2cccs2)CC1 41363563 DHRFUYWYGGEHBP-UHFFFAOYSA-N 319.434 1.464 0 40 DDAB Cc1c(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)oc2ccccc12 103736719 CXBNKGMYCDUOGC-LBPRGKRZSA-N 312.325 1.761 0 40 DDAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 22612964 LHGQFFLUAGGWAE-HNNXBMFYSA-N 320.370 1.305 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 22755278 TXAZYMXTXZYLAD-HNNXBMFYSA-N 306.362 1.110 0 40 DDAB O=C1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCN1 54257218 OHIYMUNZDHYLJX-UHFFFAOYSA-N 315.295 1.466 0 40 DDAB CN(C)CCCNC(=O)NC[C@H]1CCN(c2ccccc2)C1 42921556 KSLTUJVDJMKIGU-OAHLLOKOSA-N 304.438 1.764 0 40 DDAB C[C@@H]1CCCN([C@H](C)CNS(=O)(=O)N2CCCCC2)C1 106072672 LZKLYDWDGLULSD-ZIAGYGMSSA-N 303.472 1.427 0 40 DDAB Cn1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc2ccccc21 106184130 QRPNUWTXIFGSDM-LSDHHAIUSA-N 313.401 1.771 0 40 DDAB CC(C)n1cnc(S(=O)(=O)NC[C@@H](O)c2ccsc2)c1 95939412 XATMLGRRLVTCIY-LLVKDONJSA-N 315.420 1.537 0 40 DDAB Cc1ccc(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c(O)c1 7960420 REZNZUDKDHRJFE-UHFFFAOYSA-N 320.370 1.909 0 40 DDAB COc1ccc(CNC(=O)N[C@H](C)Cn2cccn2)cc1O 48278974 OTEVCWSGQXIQQN-LLVKDONJSA-N 304.350 1.485 0 40 DDAB COc1ncccc1NC(=O)NC[C@@H](O)COc1ccccc1 48287345 LKLVHWGCHOIQOY-GFCCVEGCSA-N 317.345 1.652 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 107324892 VYCHPJCODMGTJN-SDDRHHMPSA-N 308.378 1.829 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@H]2CCOC2)C1 107503307 HIGLZXFKJNPDRK-TZMCWYRMSA-N 306.410 1.490 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)Nc2ccc(F)cc2)CC1 12769632 ODMHYIBCMWJDNL-UHFFFAOYSA-N 315.370 1.325 0 40 DDAB CNC(=O)c1cc(C(=O)Cn2c(=O)oc3ccccc32)cn1C 27240443 KQTQEBRBOFXEQL-UHFFFAOYSA-N 313.313 1.176 0 40 DDAB CCn1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(N)=O)n1 28235671 OMVWMGVAFUKIKO-UHFFFAOYSA-N 308.363 1.111 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1F 44893459 AYPPVWQICTYGSQ-VIFPVBQESA-N 319.336 1.321 0 40 DDAB CCOc1ccc([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 44893891 DOULHMGOYQKWOP-AAEUAGOBSA-N 311.403 1.697 0 40 DDAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(C)on2)c1 3397791 PLIMMTSCUZUFEZ-UHFFFAOYSA-N 320.301 1.796 0 40 DDAB O=C(CS(=O)(=O)c1cc(F)ccc1F)NC[C@H]1CCCO1 44947468 XMAIOBIBWORURX-SNVBAGLBSA-N 319.329 1.034 0 40 DDAB O=C(NCc1ccccn1)NC1CCN(c2ncccn2)CC1 44946337 QRXKZTNNGFCAHO-UHFFFAOYSA-N 312.377 1.340 0 40 DDAB Cc1ccsc1C(=O)NCCCN1CCC[C@H](C(N)=O)C1 58370732 LFVCENCZKJKUMX-LBPRGKRZSA-N 309.435 1.374 0 40 DDAB COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 104321833 TYSBDMDLJCGTSG-RKVPGOIHSA-N 316.401 1.183 0 40 DDAB Cc1nnc(SCC(=O)Nc2nnc[nH]2)n1-c1ccccc1 36235036 ROKVMUQSGPSCCW-UHFFFAOYSA-N 315.362 1.425 0 40 DDAB Cc1cnc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)cn1 48300962 JZCUHAKWOFYLRE-UHFFFAOYSA-N 312.373 1.998 0 40 DDAB O=C(Cn1cncn1)N1CCN(Cc2cccc(Cl)c2)CC1 45291554 JXQLFTSLYUSNBW-UHFFFAOYSA-N 319.796 1.276 0 40 DDAB CCOC(=O)[C@](O)(NC(=O)c1ccc(C)cc1)C(F)(F)F 2322866 CGQQVHSURZSLOK-GFCCVEGCSA-N 305.252 1.539 0 40 DDAB CC(C)C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 29107098 ADXKRAXNVCYJLA-AWEZNQCLSA-N 315.373 1.440 0 40 DDAB O=C(CCSc1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 48421014 XSPFLWQUNCNIKM-SNVBAGLBSA-N 317.407 1.611 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccnc1SC 2640951 MODWYEMRBXFKPQ-QMMMGPOBSA-N 311.363 1.195 0 40 DDAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])N1CCc2ccccc2C1 47298536 FBSIAVSNYBLIEM-DFBGVHRSSA-N 303.362 1.215 0 40 DDAB CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 28208509 MHFCQOHPDRJGBB-UHFFFAOYSA-N 310.419 1.540 0 40 DDAB Cc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccccc1 22273820 WQEJCRAFRJIEGH-UHFFFAOYSA-N 304.371 1.676 0 40 DDAB COCCn1cc2c(n1)[C@@H](Nc1nccc(OC)n1)CCC2 96002462 ZPLUSAUQJMVBNH-LBPRGKRZSA-N 303.366 1.818 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1 64384806 ZZNIBPBLWXOPFJ-JTQLQIEISA-N 320.780 1.780 0 40 DDAB OCCN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 64554823 NBCBYBLRRFOQHJ-UHFFFAOYSA-N 304.369 1.121 0 40 DDAB O=C1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CCN1 64568802 QXTOBZARACRUFM-UHFFFAOYSA-N 310.401 1.683 0 40 DDAB CNC(=O)CCCN(C)C(=O)c1c(F)c(F)cc(F)c1F 95435389 NDSJDZZHKMXXPZ-UHFFFAOYSA-N 306.259 1.841 0 40 DDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCSc2ccccc21 9315600 FYKWEXFHWPSPSI-MNOVXSKESA-N 319.386 1.328 0 40 DDAB COC[C@H](O)CN(C)C(=O)NCc1ccc(-c2ccn[nH]2)cc1 65449385 GYXGXDCPBCPVQC-CQSZACIVSA-N 318.377 1.225 0 40 DDAB Cc1csc([C@@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n1 65475344 WXXRTQWKCHCGHE-ZDUSSCGKSA-N 305.403 1.724 0 40 DDAB C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nnc2n1CCC2 65607269 BRXSWYLJTYHZCY-NSHDSACASA-N 310.357 1.878 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1F 6549122 PGMJGLRAHCOTSG-UHFFFAOYSA-N 319.336 1.937 0 40 DDAB Cc1ccccc1COCCOCn1c(C)cc(=O)[nH]c1=O 4698045 HCRTVFFALDCOJW-UHFFFAOYSA-N 304.346 1.344 0 40 DDAB CCOC(=O)[C@]1(CC(C)C)C[C@H](CSC(=N)N)OC1=O 4784562 MXAUZRYYPQMEBU-RNCFNFMXSA-N 302.396 1.524 0 40 DDAB COc1cc(OC)cc(N2CC[C@@H](NCc3cnn(C)c3)C2)c1 96449351 ZFLQWUWHEBRYNO-CQSZACIVSA-N 316.405 1.806 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)c3ccnc(C)n3)C2)no1 67883434 SXHXMQGNCZEXNN-LLVKDONJSA-N 301.350 1.750 0 40 DDAB COc1ccc(CNCc2cnc(N3CCOCC3)nc2)cn1 71809771 ZQYWBUDZRAJZPI-UHFFFAOYSA-N 315.377 1.007 0 40 DDAB CN(CC1CCOCC1)S(=O)(=O)c1ccc(C(=O)O)cc1 69051858 PFDWMFMYFYETGH-UHFFFAOYSA-N 313.375 1.432 0 40 DDAB CC(C)c1nc2n(n1)C[C@H](NCc1nnc(C3CC3)n1C)CC2 70040887 PAOJQJLUTBFFQU-GFCCVEGCSA-N 315.425 1.512 0 40 DDAB C[C@@H]1CN(CCNc2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 97994993 CXXZDEPAPRXNNH-VXGBXAGGSA-N 302.378 1.444 0 40 DDAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2cncnc2C1 69587648 DULJXBOPVIGFFA-SNVBAGLBSA-N 317.780 1.910 0 40 DDAB CCc1cc(NC(=O)NCC[S@@](=O)C(C)(C)C)n(C)n1 83820376 STMNAUIABVNGQZ-FQEVSTJZSA-N 300.428 1.651 0 40 DDAB CC(C)C[C@@H](NC(=O)c1cc[nH]n1)C(=O)Nc1nccs1 91840435 SNSXZIWMNLMJST-SNVBAGLBSA-N 307.379 1.649 0 40 DDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)cn1 69844271 PPESSOGROUVBGD-CJNGLKHVSA-N 313.357 1.924 0 40 DDAB CCNc1nc(N[C@H](C)CC)nc(Oc2ccc(O)nn2)n1 8673114 MUVUJRGEJMJUIA-MRVPVSSYSA-N 305.342 1.802 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 72025437 CRGMNBDYEJSTAF-CYBMUJFWSA-N 320.320 1.526 0 40 DDAB CC(C)[C@@H](C)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1 73581653 CBCIEFXYQQKPCR-CYBMUJFWSA-N 320.437 1.807 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[S@@](=O)C1 84101438 KRUPUTFOTRPGBF-BTDLBPIBSA-N 307.824 1.448 0 40 DDAB CCCCc1nc(CN2CCO[C@H](Cn3cncn3)C2)cs1 72253395 DYLXYLZGWBZFFV-AWEZNQCLSA-N 321.450 1.978 0 40 DDAB CN(C)[C@@H](CNC(=O)NC[C@H]1CC=CCC1)c1cnn(C)c1 72287701 HYKSBDGOZNDVNH-ZFWWWQNUSA-N 305.426 1.678 0 40 DDAB O=C(Nc1ccc(N2CCCC2)cn1)[C@@H]1CCS(=O)(=O)C1 84429028 CNWQXKKRXXSUPD-LLVKDONJSA-N 309.391 1.055 0 40 DDAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C1CC1 67068609 MDOZUIQLZKWAJD-UHFFFAOYSA-N 317.389 1.431 0 40 DDAB CCOc1cccc(S(=O)(=O)N2CC[C@H](CC(=O)O)C2)c1 548831038 QTUYRTXUODYVCE-LLVKDONJSA-N 313.375 1.571 0 40 DDAB O=C1CC2(CCN(C(=O)[C@H]3CCc4cccc(O)c43)CC2)CN1 556432160 IDKDSNRJGBEJDB-ZDUSSCGKSA-N 314.385 1.551 0 40 DDAB NC[C@H](c1cccc(Br)c1)N1CC[C@H](C(=O)O)C1 35622899 CGOPLTJIKFGKLC-CMPLNLGQSA-N 313.195 1.855 0 40 DDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccncc1 32124540 PJPXFKMVVSXRLB-ZDUSSCGKSA-N 310.313 1.810 0 40 DDAB biogenic Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2)cc1 33761239 QHKLSIOOEKBJBI-UHFFFAOYSA-N 311.341 1.688 0 40 DDAB CC(C)N1CCN(S(=O)(=O)c2cnccc2S)CC1 72210674 APAZOIAYQPSJJY-UHFFFAOYSA-N 301.437 1.085 0 40 DDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218379422 AOGFQQUSRAZWPE-IPYPFGDCSA-N 311.403 1.156 0 40 DDAB CCc1cc(NC[C@@H]2CNCCOC2)nc(N2CCCCC2)n1 72144860 BXFGEIGWYMUTAC-AWEZNQCLSA-N 319.453 1.677 0 40 DDAB Cc1ccc(O[C@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)nn1 225429089 YMNAHVPMARSCAX-LBPRGKRZSA-N 301.350 1.418 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CC3(CCNCC3)C(=O)O2)c(C)[nH]1 1579563803 PNMZXZTUADBRKU-LBPRGKRZSA-N 305.378 1.047 0 40 DDAB CC(=O)Nc1cccc(OCc2noc(C(=O)NC3CC3)n2)c1 40266370 NNGTYIWSBPDKNH-UHFFFAOYSA-N 316.317 1.499 0 40 DDAB C[C@@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccncc1 97370633 ZGCVOHJAHDTFJI-CZUORRHYSA-N 311.385 1.852 0 40 DDAB Cc1noc(CNC(=O)N2CCCN(c3ccccn3)CC2)n1 96503006 WOEVFQFALXFKLR-UHFFFAOYSA-N 316.365 1.195 0 40 DDAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1 230021146 OAQLZTZRDMKOML-UHFFFAOYSA-N 308.338 1.232 0 40 DDAB CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@@H]2C(=O)O 91302916 OPVIFSBRWSFTFF-SNVBAGLBSA-N 322.365 1.261 0 40 DDAB COc1ccc(N2CCC[C@@H](C(=O)NCCC(C)C)C2)nn1 95480043 YBJDYXDRAYOBSY-CYBMUJFWSA-N 306.410 1.864 0 40 DDAB CNC(=O)CCOC(=O)c1ccc(Br)cc1F 96452555 ODQBYDSZELLOJQ-UHFFFAOYSA-N 304.115 1.881 0 40 DDAB CN1C(=O)[C@]2(C[C@@H]2C(=O)NCc2cccnc2)c2ccccc21 96243415 DHIMKOAVFLYAKM-RDTXWAMCSA-N 307.353 1.632 0 40 DDAB COc1ccc([C@H](N)c2n[nH]c(-c3cccnc3)n2)cc1OC 95533818 JZYBIWXZSLJKRP-AWEZNQCLSA-N 311.345 1.932 0 40 DDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1nccs1 97212772 CNHJYUSIAZFYMO-UHFFFAOYSA-N 306.391 1.762 0 40 DDAB CC(C)OCCS(=O)(=O)N[C@H]1CCCC[C@H]1n1cccn1 96451092 YXRPPRWXFHXYNT-UONOGXRCSA-N 315.439 1.711 0 40 DDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N(C)Cc1ccccn1 96436177 ASWVQUGSFIZZRK-MRXNPFEDSA-N 305.422 1.833 0 40 DDAB CC1(C)O[C@H]2NC(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3OC[C@@H]21 96306168 RABQDEDLDXSAFJ-WSXWTOPLSA-N 302.330 1.369 0 40 DDAB O=C(O)[C@@H]1C[C@@H](N2CCCC2)CCN1C(=O)c1cccs1 96069039 BQVFOFJCTIIIGL-RYUDHWBXSA-N 308.403 1.902 0 40 DDAB O=C(NCC[C@@H]1CCOC12CN(CC1CC1)C2)c1ccncc1 247520572 XHMARKBHLLUQLM-MRXNPFEDSA-N 315.417 1.702 0 40 DDAB Cn1ccc2cc(C[C@@H]3COCCN(C(=O)CN)C3)ccc21 257273205 NFRGURLXYJVLLN-AWEZNQCLSA-N 301.390 1.155 0 40 DDAB CCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)O)cn1 257295416 QYFGFKHDOGWETM-UHFFFAOYSA-N 320.370 1.886 0 40 DDAB CN1CCN(CCCc2ccccc2)C[C@@H](C(=O)N(C)C)C1 257335310 YJPRVIGVFDVCMJ-KRWDZBQOSA-N 303.450 1.571 0 40 DDAB O=C(O)[C@H]1CN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CCO1 257197877 LZPIHBYJYLNHDG-CYBMUJFWSA-N 319.292 1.141 0 40 DDAB COCc1c(C(=O)N2CCC[C@H]2c2ccncn2)noc1C 257236853 HEAUFDPKPYLFMG-ZDUSSCGKSA-N 302.334 1.897 0 40 DDAB CC(=O)N1CCC[C@H]2N(C(=O)c3cnc(C)cn3)CCC[C@@]21C 257290406 QCVKTONDMADTAD-WBVHZDCISA-N 316.405 1.791 0 40 DDAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCOCC1 256045696 ANIRBXBXNUYYHZ-UHFFFAOYSA-N 308.725 1.456 0 40 DDAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)COCC(F)(F)F 262498970 LTSCPHMSTRZLIY-LBPRGKRZSA-N 317.263 1.776 0 40 DDAB O=C(O)Cn1cnc(NC(=O)[C@H]2CCCc3ccccc32)n1 647780829 PMMJXPOLZRPWLB-LBPRGKRZSA-N 300.318 1.421 0 40 DDAB C[C@@]1(NC(=O)Nc2ccc3ncccc3c2)CCS(=O)(=O)C1 575425221 RIFZKNSLBPWPAE-OAHLLOKOSA-N 319.386 1.934 0 40 DDAB CN1C[C@H](C(=O)NCCCN2CCc3ccccc32)CC1=O 73544827 FZCMEKYUOUQEHN-CQSZACIVSA-N 301.390 1.034 0 40 DDAB Cc1cccc(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2)c1 1565520499 VSHGYSQVPRCXJI-MRXNPFEDSA-N 302.418 1.907 0 40 DDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3noc(C)n3)C2)cn1 76047345 CGJGZCNJXGMVAP-CQSZACIVSA-N 302.382 1.183 0 40 DDAB CCNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C 76997703 RTNFXCGXSPAXIN-KGLIPLIRSA-N 310.419 1.154 0 40 DDAB CCn1cc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)cn1 93533925 UTZBQODLBPJDKG-UHFFFAOYSA-N 313.405 1.324 0 40 DDAB COc1cc(/C=C/CN[C@H](C(=O)O)[C@@H](C)[C@@H](C)O)ccc1O 1772592048 XXYLZEKPQREHDD-JEXXIRLBSA-N 309.362 1.474 0 40 DDAB CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 5118462 UGJRDRCKKUNITG-UHFFFAOYSA-N 319.144 1.996 0 40 DDAB Nc1cc(-c2ccco2)nn(CC(=O)N2CCCCCC2)c1=O 12146666 JXJBVYSCAYYCPW-UHFFFAOYSA-N 316.361 1.488 0 40 DDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N)CC1(CCOCC1)O2 12337515 WBXSWGUVHAYREP-TZMCWYRMSA-N 304.390 1.831 0 40 DDAB COC(=O)[C@](NC(C)=O)(Nc1ccc(C)cn1)C(F)(F)F 12462473 NLHBGCHKKKDCBD-NSHDSACASA-N 305.256 1.370 0 40 DDAB CCOCCCN1C(=O)/C(=C\c2ccc(O)cc2)NC1=S 14183171 RAMBOLNJVYTLKN-JLHYYAGUSA-N 306.387 1.876 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)Nc1cc(-c2ccccc2)on1 154854597 HJUILDTXIQYHCG-SNVBAGLBSA-N 300.318 1.694 0 40 DDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cnoc3C)C2)c1F 390828152 PDTPTIOBFCBAEP-JTQLQIEISA-N 320.324 1.768 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(c2ncccn2)CC1 7955802 VOXIRLMPBRUPLC-OAHLLOKOSA-N 310.357 1.129 0 40 DDAB CCc1cnc(N2CCN(c3nc(C)c(F)c(O)n3)CC2)nc1 1888842921 GPONZIRXGJQWAD-UHFFFAOYSA-N 318.356 1.309 0 40 DDAB O=C(Cc1ccc(F)cc1F)NC1CN(c2ccccn2)C1 1888857241 QKKRNGOXWVKHJO-UHFFFAOYSA-N 303.312 1.907 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ncnc3ccc(F)cc23)CCO1 1889104458 FPGNLXNICYNLLJ-AWEZNQCLSA-N 316.336 1.253 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)ncc1F 1889122678 KIPNFDMUNLREJV-UHFFFAOYSA-N 301.325 1.282 0 40 DDAB O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC2(CC1)OCCO2 13321009 MYYRWUZHEGZZRY-PQAZSJQKSA-N 323.389 1.489 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)cc1F 44502505 XIVXFZOCKXJQFS-SNVBAGLBSA-N 302.371 1.112 0 40 DDAB CO[C@H]([C@@H]1CCCN1)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1 504431604 PHUURGQFDDGNRU-KUHBDSFDSA-N 320.433 1.628 0 40 DDAB O=C(NC1CCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CCC2)O1 1565549862 HHJXJKOTCUMGON-MCIONIFRSA-N 324.396 1.696 0 40 DDAB CCOc1ccc(-c2cccc(NS(=O)(=O)N(C)C)c2)nn1 5239216 PCIOTQRLWYLLNU-UHFFFAOYSA-N 322.390 1.761 0 40 DDAB COc1ccc(-c2nnc(NC(=O)c3ccno3)o2)c(OC)c1 10254068 FDSBHQPMJQCNLY-UHFFFAOYSA-N 316.273 1.994 0 40 DDAB CCCCS(=O)(=O)NCCNc1cc(NCC)nc(C)n1 38488320 PVPORMBMEDIOPE-UHFFFAOYSA-N 315.443 1.348 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccoc2)cc1F 90613206 IAIORCZSMJQUFR-AWEZNQCLSA-N 320.320 1.906 0 40 DDAB O=C([C@@H]1CCCN(Cc2nc(C3CC3)no2)C1)N1CCOCC1 40493799 QIVMZERZMNGIGO-CYBMUJFWSA-N 320.393 1.018 0 40 DDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CCC2 40528151 LLIRZKDRSYCLJQ-ZDUSSCGKSA-N 324.446 1.174 0 40 DDAB CCCCN(C)C(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 40508859 MCSTXNISNGOBHG-UHFFFAOYSA-N 316.361 1.911 0 40 DDAB CCc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc1C 32780695 FABLROVEJLLNMA-NSHDSACASA-N 301.433 1.878 0 40 DDAB Cn1ncc2c(NCCO)nc(NCCc3cccs3)nc21 32620490 IHYHNSUBUVRYCH-UHFFFAOYSA-N 318.406 1.484 0 40 DDAB CCCNC(=O)C[S@](=O)Cc1cc(Cl)c2c(c1)OCO2 32765157 JMEPUSJSUYRZAZ-FQEVSTJZSA-N 317.794 1.844 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCCSC2CCCC2)C[C@@H](C)O1 32825871 OWJULBBMSFDDNR-VXGBXAGGSA-N 322.496 1.606 0 40 DDAB C[S@@](=O)Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 32865835 TUNYZYCHXBGOID-QFIPXVFZSA-N 316.382 1.916 0 40 DDAB CCN(CC(=O)NC)C(=O)c1ccc(N2CCC(C)=N2)cc1 52880073 SKGBUYXNSIYISD-UHFFFAOYSA-N 302.378 1.481 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2ccccn2)CC1 33238110 LQKUUJXVGWMSEB-UHFFFAOYSA-N 317.418 1.454 0 40 DDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 157709 QBWBIGARDRNWON-UHFFFAOYSA-N 312.391 1.586 0 40 DDAB O=C(CCN1CCOCC1)Nc1ccc(C(F)(F)F)nc1 71297202 OAJGTGMPACWPDI-UHFFFAOYSA-N 303.284 1.761 0 40 DDAB c1cnnc(NC[C@H]2CN(CCNC3CCCCC3)CCO2)c1 78894050 WZAHKNPXKSXDBN-INIZCTEOSA-N 319.453 1.512 0 40 DDAB C[C@H](O)CCN(C)C(=O)CN1C(=O)CSc2ccccc21 78996143 FBOZKMXMNQBUPB-NSHDSACASA-N 308.403 1.355 0 40 DDAB O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1ccc(F)cc1 4139373 OCJLHIKHGMXYKZ-AWEZNQCLSA-N 317.320 1.792 0 40 DDAB Cc1cc(C)cc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)c1 3262319 NGTROSNVBKGBBV-CQSZACIVSA-N 321.373 1.521 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1 6357944 NQVLJTXEYVEXMQ-NSHDSACASA-N 314.407 1.134 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2[C@@H](C1)CN2Cc1cccnc1 107798395 MELNVZCADVRWRF-TZMCWYRMSA-N 300.387 1.495 0 40 DDAB CCC[C@H](C)NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 24954200 QHNZHJVAXJXIDL-NSHDSACASA-N 323.418 1.745 0 40 DDAB O=C1CS(=O)(=O)CC(=O)N1Cc1ccc(Cl)c(Cl)c1 1391670 JKOJGMFDGXLRNE-UHFFFAOYSA-N 322.169 1.277 0 40 DDAB O=C1OCC[C@@H]1N1CCC[C@H](c2nnc3n2CCCCC3)C1 106646327 ZMOHZRYJUATDGX-STQMWFEESA-N 304.394 1.499 0 40 DDAB CC(=O)N[C@@H](CC(=O)NC[C@H](C1CC1)N(C)C)c1cccs1 55718984 ASOHZGQUNXYQIB-UONOGXRCSA-N 323.462 1.772 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@H]3CCc4cc(F)ccc43)nn12 56314960 TZBYAUFLZPYHRH-ZDUSSCGKSA-N 311.320 1.989 0 40 DDAB Cc1ccccc1NC1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 95423244 JAQYYBMJXGKVMB-HOTGVXAUSA-N 324.446 1.029 0 40 DDAB COc1cccc([C@@H](CNC(=O)c2ccc(O)nn2)N(C)C)c1 57288622 YRPYALQEIQWHBK-CQSZACIVSA-N 316.361 1.224 0 40 DDAB CC(=O)Oc1nc2n(c(=O)c1Cc1ccccc1)CCS2 9134425 IFFFDCMNROIMKT-UHFFFAOYSA-N 302.355 1.865 0 40 DDAB Cc1cccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1C 27393632 KYLGRGITVLSDSC-LSDHHAIUSA-N 316.401 1.952 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C1 57312660 YJWRAXSSWSGNPH-TXEJJXNPSA-N 322.409 1.005 0 40 DDAB C1CN(CC2CCN(Cc3nnc(C4CC4)o3)CC2)CCO1 58196617 PLPTZWSFIOJYCG-UHFFFAOYSA-N 306.410 1.491 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)c2ccccc2O1 44895912 PIGBVRMEECMVJQ-OAHLLOKOSA-N 311.341 1.544 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nccs1 10217376 FSGFQYPCCYWMRT-UHFFFAOYSA-N 305.315 1.240 0 40 DDAB Cc1ccc(/C=C/C(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)o1 58281724 MHSHYAAHNYQJRG-RNBGUABESA-N 320.389 1.743 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(OC[C@@H]2CCCO2)cc1 58226773 KRHDMDURNUGUSD-LSDHHAIUSA-N 318.373 1.253 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cnc2ccccc2n1 44940615 OMLCPYBYSKCLAA-GFCCVEGCSA-N 300.362 1.080 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H](O)c1ccc(F)cc1F 48333838 DEZMAVSHULHQGD-HZMBPMFUSA-N 324.331 1.583 0 40 DDAB CS(=O)(=O)CC[C@@H](N)c1nc(-c2ccc(Cl)cc2)no1 21508365 CTLBCCKXVBVYRI-SNVBAGLBSA-N 315.782 1.825 0 40 DDAB CCCNC(=O)CN1CCC(C(=O)Nc2cnn(CC)c2)CC1 58311910 DMQBMICRBKOBTH-UHFFFAOYSA-N 321.425 1.080 0 40 DDAB C[C@H]1CN(CCNC(=O)c2ccc(N(C)C)c(F)c2)C[C@H](C)O1 58357213 NMQIWGUBDIYZSC-STQMWFEESA-N 323.412 1.731 0 40 DDAB CCOc1ccc(Cl)cc1CCNC(=O)c1n[nH]c(=O)[nH]1 95440924 SQBPMNYCLBZMCJ-UHFFFAOYSA-N 310.741 1.123 0 40 DDAB O=C(CN1CCN(C(=O)C2CCC2)CC1)NCc1ccccc1 36389639 ZELIDYHQXOFRPV-UHFFFAOYSA-N 315.417 1.247 0 40 DDAB CCOc1ccc2c(c1)C=C(C(=O)NC[C@H](C)C(=O)O)CO2 95970620 XSZRWJVZNLHKBR-JTQLQIEISA-N 305.330 1.698 0 40 DDAB O=C(Nc1cccc(F)c1)C1[C@H]2CC[C@H]1CN(C(=O)CCO)C2 107806236 JBXWCUBJKKUZNJ-RYUDHWBXSA-N 320.364 1.631 0 40 DDAB COc1ccc([C@@H](CC(=O)O)CC(=O)N2CCOCC2)cc1 57638238 ZUCYRMUCASHTOT-CYBMUJFWSA-N 307.346 1.502 0 40 DDAB CC[C@@H]1CN(S(=O)(=O)Cc2ccc(C(=O)O)cc2)CCO1 36769598 JKFDFBVTCCHFSM-CYBMUJFWSA-N 313.375 1.325 0 40 DDAB CCn1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)cc1C(=O)O 36864400 OIGNBCKDMIHXOL-SECBINFHSA-N 300.380 1.625 0 40 DDAB O=C1CN(c2ccc(Nc3ncnc4ccccc34)cn2)CCN1 29621652 PDUXSRQFDNBLIY-UHFFFAOYSA-N 320.356 1.705 0 40 DDAB CCn1ncc(Br)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 2776938 JORZEFPZTNUJEM-RKDXNWHRSA-N 316.199 1.915 0 40 DDAB CCCn1nc(C(=O)NCC2(N(C)C)CCCCC2)ccc1=O 46868163 RRWVHLGRUQRHPQ-UHFFFAOYSA-N 320.437 1.648 0 40 DDAB O=C1CNC(=O)N1CCN[C@H]1CCCC[C@@H]1Cc1ccccc1 119016837 FFWCEXXBWZHEOQ-CVEARBPZSA-N 315.417 1.929 0 40 DDAB Cc1nc2ccccc2nc1N[C@@H]1CCCN(S(C)(=O)=O)C1 63248998 MLFJITJPEVPOCD-GFCCVEGCSA-N 320.418 1.774 0 40 DDAB CCN1CCN(C(=O)c2cn(CC)c3ccccc3c2=O)CC1 22234476 FOULMFPWRDDRCN-UHFFFAOYSA-N 313.401 1.799 0 40 DDAB COc1ccccc1N1C(=S)S[C@H]2CS(=O)(=O)C[C@H]21 4124031 SYANJXOHYBPDLI-KOLCDFICSA-N 315.441 1.699 0 40 DDAB NC(=O)C1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 6052169 VTZZCPTWZYZFAD-UHFFFAOYSA-N 302.330 1.196 0 40 DDAB CC[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O 4311812 MOAARJNOMGZHCN-SECBINFHSA-N 314.363 1.164 0 40 DDAB O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccncc2)CC1 65422933 PJGUNULVXBKDHR-UHFFFAOYSA-N 312.373 1.905 0 40 DDAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cnn1C(C)(C)C 65541610 SLYQFMCYYSJAQG-JQWIXIFHSA-N 306.410 1.673 0 40 DDAB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)NCc1ccco1 5452199 NTRKVEUOGMNSJQ-ZSOIEALJSA-N 312.325 1.811 0 40 DDAB biogenic O=C(Cc1n[nH]c(=O)c2ccccc12)NC1Cc2ccccc2C1 6554221 YKRDJNUWQWOCCD-UHFFFAOYSA-N 319.364 1.749 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2noc(C)n2)cc1 97229139 SDELQNNGACQRTL-QMMMGPOBSA-N 309.347 1.620 0 40 DDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc[nH]1 6879894 RKZIRWZLIFTOMX-QGZVFWFLSA-N 309.325 1.591 0 40 DDAB CCn1nnc2cc(C(=O)OCC(=O)NC3CCCC3)ccc21 5805344 QBXNUNQRTLCKES-UHFFFAOYSA-N 316.361 1.667 0 40 DDAB Cc1ccsc1[C@@H]1CCN(Cc2cn[nH]c2C(=O)O)C[C@H]1O 67603787 FPBMIJNSHPCSMK-VXGBXAGGSA-N 321.402 1.828 0 40 DDAB O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)[C@H]1CCOC1 96453004 FMCSMZDLFQTWFA-LBPRGKRZSA-N 312.366 1.558 0 40 DDAB Cc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)sc1C 91044344 PQQXATIBEKCKEX-SNVBAGLBSA-N 312.420 1.770 0 40 DDAB C[C@@H](O)CN1CCN([C@H](C)C(=O)NCCC2=CCCCC2)CC1 71877428 LITAHHWYEXIIHN-HZPDHXFCSA-N 323.481 1.380 0 40 DDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC(=O)N(C)C1 81613666 OICDFRVFXAFIDM-TZMCWYRMSA-N 301.390 1.332 0 40 DDAB O=C(Nc1nnn[nH]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 71883649 BPWJBSYLSDZSGW-UHFFFAOYSA-N 324.131 1.945 0 40 DDAB Cc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C(C)C)o1 71811021 YWZOSIPXIZOYBU-UHFFFAOYSA-N 305.378 1.396 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCc2cccc(OC)c2)CC1 71881078 MIKHHTCZDGRDDJ-MRXNPFEDSA-N 320.433 1.543 0 40 DDAB O=C(CSc1nnc(NC2CC2)s1)N1CCOCC1 8249352 UUTVGKRRUJBUHP-UHFFFAOYSA-N 300.409 1.063 0 40 DDAB COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(F)cc2F)CC1=O 8235042 AVWMEXKAYZJTLF-UWVGGRQHSA-N 312.316 1.787 0 40 DDAB O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(C2CC2)n[nH]1 71847726 HFJSVUWSWXIENY-AWEZNQCLSA-N 324.384 1.818 0 40 DDAB CCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1 8315659 BJEWNGRJXUVLGH-UHFFFAOYSA-N 304.346 1.995 0 40 DDAB C[C@H]1CN(Cc2noc(C3CC3)n2)CCN1Cc1nccn1C 69452867 FBDLDHQLMPXJKU-LBPRGKRZSA-N 316.409 1.387 0 40 DDAB CCOC(=O)[C@@]1(CC(C)C)C[C@@H](CSC(=N)N)OC1=O 8556668 MXAUZRYYPQMEBU-TVQRCGJNSA-N 302.396 1.524 0 40 DDAB COc1ncccc1CNC(=O)N1CCN2CCCC[C@H]2C1 95351216 YNFOVZPUBXXJQL-AWEZNQCLSA-N 304.394 1.470 0 40 DDAB O=C(c1n[nH]c(O)n1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 95441722 QLMIMGQSEAJPNS-GFCCVEGCSA-N 320.324 1.471 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nc(-c3ccoc3)no1)CC2 69820325 XGODDGSKUHECTG-LLVKDONJSA-N 300.322 1.334 0 40 DDAB Cn1cc(Cl)cc1C(=O)N1CCCN(c2cccnn2)CC1 69947971 RPZDEPXGIIMKKQ-UHFFFAOYSA-N 319.796 1.821 0 40 DDAB CCCOc1ccccc1NC(=O)C[C@H]1SC(=N)NC1=O 18286135 JBDKZZYROLINBI-LLVKDONJSA-N 307.375 1.970 0 40 DDAB CC(C)(C)c1n[nH]cc1CNC[C@H]1COC2(CCOCC2)O1 97037643 LVVOOORTGFFHHY-ZDUSSCGKSA-N 309.410 1.719 0 40 DDAB Cc1ccc(C[C@H](CNC(=O)c2cnn(C)c2C)C(=O)O)cc1 97018833 GFJKBKWSCFGOLG-CQSZACIVSA-N 315.373 1.710 0 40 DDAB C[C@@H]1OCC[C@@H]1[S@@](=O)[C@@H](C)C(=O)N1CCc2ccccc2C1 97021107 AXHGTLVUHWPWLJ-AJOMTJPMSA-N 321.442 1.886 0 40 DDAB CN(Cc1cnc(N(C)C)nc1)C(=O)Cc1cccc(O)c1 97057478 VKWWOODDAVPZRI-UHFFFAOYSA-N 300.362 1.449 0 40 DDAB Cc1ccc(-c2nnc(Cn3nc4c(cc3=O)COCC4)o2)cc1 72290531 LQDYIEAVXRHDHW-UHFFFAOYSA-N 324.340 1.723 0 40 DDAB Cc1nnc(CN(C)[C@H]2CCN(CCc3cccs3)C2)n1C 84291211 QRXRGWFAYDYZBP-AWEZNQCLSA-N 319.478 1.934 0 40 DDAB Cn1cc(N2CCC[C@H](NC(=O)Cc3cccc(O)c3)C2)cn1 98014575 VCRHBYAEYSLMTE-AWEZNQCLSA-N 314.389 1.453 0 40 DDAB O=C1NC[C@H](C(=O)N[C@@H](c2ccccc2)c2cccs2)N1 89827664 GJWUHLUALMPKRH-YPMHNXCESA-N 301.371 1.635 0 40 DDAB Cc1cc(C(=O)Nc2c[nH]cc(Br)c2=O)n(C)n1 89990562 KFTMLGACHOKNCL-UHFFFAOYSA-N 311.139 1.432 0 40 DDAB COCCOc1ccc(NC(=O)N2CCN(C)C[C@@H]2C)cn1 89938196 LRQXEJFCPRMDAI-LBPRGKRZSA-N 308.382 1.275 0 40 DDAB CCn1nccc1CN(C)C(=O)c1cnc2sccn2c1=O 28233206 GYJHKIVNNORZSM-UHFFFAOYSA-N 317.374 1.245 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)c1ccccc1 408708119 UWKSDJYJVSRGLL-GOEBONIOSA-N 317.433 1.507 0 40 DDAB CCOC(=O)C1=C(C)NC(N[N+](=O)[O-])=N[C@H]1c1ccccc1 33776156 QXURXOWPRWTPMX-LBPRGKRZSA-N 304.306 1.305 0 40 DDAB NC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218036610 ZIAHXLVQMCPXBT-OWCLPIDISA-N 302.399 1.283 0 40 DDAB O=C(C1CC1)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327378 BHKSTCNXUKDMJG-OLZOCXBDSA-N 309.369 1.722 0 40 DDAB COCC(=O)N1CCC[C@H]1c1csc(Nc2cnccn2)n1 72384786 JBTOEZNULMFUFB-NSHDSACASA-N 319.390 1.987 0 40 DDAB O=S(=O)(N[C@@H]1CNC[C@H]1c1ccccc1)c1cncc(F)c1 563673873 YRDPQXFIHURGOA-LSDHHAIUSA-N 321.377 1.255 0 40 DDAB Cc1noc(CN2CCN(C[C@@H](O)CC3CCCC3)CC2)n1 225597009 UDBZTQKVABFTBY-HNNXBMFYSA-N 308.426 1.437 0 40 DDAB COCCN1C[C@H]2CN(Cc3cccc(OC)c3)CCN2C1=O 85436245 UBFZGBVYAGSOKU-OAHLLOKOSA-N 319.405 1.263 0 40 DDAB biogenic,in-vitro CN1CCN(c2ncc(NC(=O)Cc3ccccc3)cn2)CC1 85470458 WWQZBCMGFKOENG-UHFFFAOYSA-N 311.389 1.410 0 40 DDAB COCCNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223391362 NRRTZRORQJRCFM-HNNXBMFYSA-N 315.373 1.422 0 40 DDAB Cc1noc([C@H]2COCCN2Cc2cc(C(N)=O)cs2)n1 195573537 DNBYXRMJEXGFKZ-LLVKDONJSA-N 308.363 1.112 0 40 DDAB COCCN1CN(Cc2cccc3c2OC(F)(F)O3)CC1=O 572492894 KAANIGTZLFQINA-UHFFFAOYSA-N 314.288 1.256 0 40 DDAB Cc1cnc(C)c(NC[C@]2(N3CCOCC3)CCSC2)n1 195563730 IQDFYNQMOZCNDR-OAHLLOKOSA-N 308.451 1.713 0 40 DDAB COc1cccc(NC(=O)NCc2nccc(N(C)C)n2)c1 224193537 KIQVDLMFLAHQPF-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(C)=O 222898170 JWSDKJPXXWNKOK-GFCCVEGCSA-N 310.369 1.715 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCC2)c1 225930509 DBYCMISOQWCODY-UHFFFAOYSA-N 324.446 1.936 0 40 DDAB CCn1cc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cn1 40776523 QOBYWQZDRWMENM-OAHLLOKOSA-N 300.318 1.631 0 40 DDAB CN1CC[C@]2(CCC[C@H](CNS(=O)(=O)c3ccccc3)O2)C1 96207647 LEGKKJVHUGFMAU-GDBMZVCRSA-N 324.446 1.608 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nnn(C)c21 96198512 CYICWFOAWCAORP-NSHDSACASA-N 306.391 1.192 0 40 DDAB CN(C)CCOCc1ncn2c1CN(C1CCOCC1)CCC2 96085054 CITZPXZJXPKLGJ-UHFFFAOYSA-N 322.453 1.346 0 40 DDAB Cn1cc([C@](C)(O)CNC(=O)C(C)(C)c2cccc(F)c2)cn1 96450406 AWVXGXIGJUJLAO-QGZVFWFLSA-N 319.380 1.861 0 40 DDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccccc3)[C@H]2O)CC1 514289601 WIOQQMYOWCTLAG-YESZJQIVSA-N 318.417 1.277 0 40 DDAB biogenic,in-vitro COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cnn(C)c1 96045343 CMNFFXOOPWWRDO-OAHLLOKOSA-N 316.409 1.167 0 40 DDAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](C)N1CCN(C)CC1 97374917 FUHDJLYRFKNJKU-LSDHHAIUSA-N 319.449 1.418 0 40 DDAB Cc1nnc([C@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)[nH]1 96046198 UCBQKWTWXBYOCC-BFHYXJOUSA-N 302.382 1.199 0 40 DDAB COC[C@@H]1c2c(cnn2C)CCN1C(=O)Cc1cccs1 96197721 LNGZGRDGULRJGJ-CYBMUJFWSA-N 305.403 1.797 0 40 DDAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccncc1)C2 96109168 YTBWZURWPBKTSR-AEFFLSMTSA-N 317.433 1.789 0 40 DDAB c1ccc(CO[C@H]2CO[C@@]3(CCN(c4ncccn4)C3)C2)nc1 96208778 PTWPVCKEPXRCQT-WBVHZDCISA-N 312.373 1.826 0 40 DDAB COc1ccc([C@H]2OC[C@H]3OC=C[C@@H](OC(C)=O)[C@@H]3O2)cc1 98072771 MFCOFWGQDDMFBW-WCVJEAGWSA-N 306.314 1.953 0 40 DDAB Cc1cc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)oc1C 96184390 VSGGDQXXYAZSLL-CVEARBPZSA-N 305.422 1.633 0 40 DDAB COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cc1c(C)nn(C)c1C 248842060 OFFRLVRMNZKNHG-XEZPLFJOSA-N 319.405 1.380 0 40 DDAB N[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242463769 DKOHDDYWXPLZEM-IIAWOOMASA-N 317.366 1.408 0 40 DDAB Cc1nc2ccccn2c1CC(=O)N1CC[C@H](c2ccn[nH]2)C1 257309046 TZHVANMVXGPCGE-ZDUSSCGKSA-N 309.373 1.924 0 40 DDAB CO[C@@H](C)c1nsc(N2CCC(c3cc(N)[nH]n3)CC2)n1 252508925 XXIVRCWMMUWLSB-QMMMGPOBSA-N 308.411 1.935 0 40 DDAB Cc1nc(C(=O)N2CCOC[C@H]2CCc2cnccn2)co1 257291364 QGQCIULMTLGRGN-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 257323325 WJRWHVPGGSVYCJ-SFHVURJKSA-N 317.433 1.737 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 26492114 VANMIQQIIPTLIQ-ABNWSZTOSA-N 319.430 1.891 0 40 DDAB O=C(CCn1nnc2ccccc21)N1CC[C@H](c2ccn[nH]2)C1 257311266 UISNORYBHCNCOM-LBPRGKRZSA-N 310.361 1.561 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257252389 JUQQLGRDHJOLIC-CQSZACIVSA-N 324.344 1.041 0 40 DDAB CCc1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)nc(C)n1 272854109 KSLFMKNOTDBHLZ-CYBMUJFWSA-N 314.393 1.607 0 40 DDAB Cc1cccc2c1OC[C@H](NC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)C2 291342502 VLQKBOMIMNUZHI-MRVWCRGKSA-N 317.389 1.061 0 40 DDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403414 KFCMKNPXDVESSN-GFCCVEGCSA-N 316.386 1.584 0 40 DDAB COc1cccc(CNC(=O)C[C@]2(CO)CCCN2C(C)=O)c1 585281439 XMHHWLFKSAEKMO-KRWDZBQOSA-N 320.389 1.075 0 40 DDAB CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095687 BRQINYSPURYEHU-CQSZACIVSA-N 320.393 1.511 0 40 DDAB Cn1nc(C(=O)N2CCCC[C@H]2c2nccs2)ccc1=O 72285864 YVNAFOKNLDJFOB-NSHDSACASA-N 304.375 1.604 0 40 DDAB O=S(=O)(NCC1(CO)CC1)c1ccc(C(F)(F)F)cc1 49030160 UMILMEOPTFKXQQ-UHFFFAOYSA-N 309.309 1.756 0 40 DDAB Cc1nn(C)c2sc(C(=O)N(C)CC(=O)NC(C)(C)C)cc12 54642361 WOMNTKVDUOPFJH-UHFFFAOYSA-N 322.434 1.930 0 40 DDAB CCOc1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1F 61976561 MOYISSLIVSAZHX-AWEZNQCLSA-N 317.382 1.664 0 40 DDAB COc1ncccc1CNC(=O)CN1CCc2sccc2C1 58794069 IXQVCIQTJRMWGT-UHFFFAOYSA-N 317.414 1.826 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2cccc(OCCn3cccn3)c2)N1 58995979 XWPUJJVSFQVQAV-AWEZNQCLSA-N 314.345 1.179 0 40 DDAB CCC[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1nnn[nH]1 84740432 KFYCOHULVQLPDU-LLVKDONJSA-N 312.333 1.312 0 40 DDAB CN(C)c1ncc(CNC[C@H]2CCO[C@H]2c2cnn(C)c2)s1 84317578 ZFQWCFXQCPNKQA-BXUZGUMPSA-N 321.450 1.810 0 40 DDAB O=C(NCCn1cccc1)N[C@H]1CCO[C@@]2(CCSC2)C1 89878811 HORBIWJFRAGIEH-ZFWWWQNUSA-N 309.435 1.842 0 40 DDAB Cn1cc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cn1 95969908 LINMGSDPFPQJPT-HNNXBMFYSA-N 313.357 1.391 0 40 DDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 5101220 GZIZQJIGTHWOFL-DNIRFERGSA-N 305.286 1.232 0 40 DDAB Cn1c(-c2ccco2)nn(CN2CCC[C@H](C(N)=O)C2)c1=S 5886912 QTUOAWBWWWAFDB-JTQLQIEISA-N 321.406 1.366 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)NCc1c(F)cccc1F 11923780 HDZLLYSGUZOKQT-UHFFFAOYSA-N 301.318 1.485 0 40 DDAB O=C(NCCNC(=O)c1cc2ccccc2o1)c1ccccn1 12854131 VQCWBAFFDWDUSW-UHFFFAOYSA-N 309.325 1.988 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15338798 PJGZXZADSFVAEA-GFCCVEGCSA-N 310.419 1.999 0 40 DDAB Cn1ccnc1CN1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 19291496 YZONMYNDMKFSNQ-UHFFFAOYSA-N 322.372 1.124 0 40 DDAB O=C(c1ccno1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347253 ZAGIBYURUUCGQT-UHFFFAOYSA-N 324.340 1.931 0 40 DDAB COc1ccccc1[C@@H](C)NC(=O)Cc1c(C)nc(C)[nH]c1=O 19937536 IQMACJBTECDQTN-SNVBAGLBSA-N 315.373 1.815 0 40 DDAB C1=C[C@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC1 22913510 WIIOVPGUZHMHGH-OAHLLOKOSA-N 301.390 1.061 0 40 DDAB CC[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 4359971 HHPATCQOOCZMDF-CHWSQXEVSA-N 305.378 1.170 0 40 DDAB CN(C)c1cccc(C[C@@H]2COCCN(Cc3cnc[nH]3)C2)n1 1848355276 UFPLALVKSREEDM-AWEZNQCLSA-N 315.421 1.562 0 40 DDAB Cc1nc(C(=O)N2C[C@H]3C(=O)N(CC4CC4)CC[C@H]3C2)cs1 1565552189 WFDHPORKCKQWRS-QWHCGFSZSA-N 319.430 1.782 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccc2)cs1 181563 VAFMMOCWSFXNFP-UHFFFAOYSA-N 315.354 1.898 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1 9823348 SHYMOZQFRVZTNM-INIZCTEOSA-N 309.369 1.855 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@]12CCN(C(=O)CCc1ccc[nH]1)C2 2055815370 BLOSZDAMQOTPRV-QAPCUYQASA-N 315.417 1.855 0 40 DDAB CC(C)CCC[C@H](O)CCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO 2332243364 LOXPKHZOCSKDSQ-QPSCCSFWSA-N 302.411 1.486 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCN1CCCCC1 40107520 JCBWPWKNGQPLIU-UHFFFAOYSA-N 313.405 1.791 0 40 DDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccco1)c1cccs1 40459618 DJSRVVITODRWJW-NSHDSACASA-N 321.402 1.490 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)NC[C@H](C)N1CCOCC1 32434127 UOFDGKIKIHOJRK-LBPRGKRZSA-N 316.398 1.133 0 40 DDAB Cc1cnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 101852924 XQVCGYZHUNMAQJ-PHIMTYICSA-N 321.402 1.955 0 40 DDAB CCOC(=O)C1=C(CSc2cc(C)nc(C)n2)NC(=O)NC1 32782068 WLZILCZZGDNDQY-UHFFFAOYSA-N 322.390 1.316 0 40 DDAB CC1(C)OC(=O)C([C@@H](c2ccccc2)[C@@H](C#N)C(N)=O)=C(O)O1 34886 YGVPQBXRLKSZQR-MNOVXSKESA-N 316.313 1.474 0 40 DDAB Cc1cc(C)c(NC(=O)CNC(=O)c2cnsn2)c(C)c1 47415960 FCTZDOVRZOWNHM-UHFFFAOYSA-N 304.375 1.832 0 40 DDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCCC3)C2=O)cc1 121686 XJDSAXMMSNCKBZ-AWEZNQCLSA-N 301.346 1.373 0 40 DDAB CCOC(=O)c1cc(C(=O)NCc2ccc(C)n2C)n(C)n1 12410688 IGEYLAFEGNESDX-UHFFFAOYSA-N 304.350 1.174 0 40 DDAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1csnn1 78869035 JEYCHDASPDJHON-SNVBAGLBSA-N 322.777 1.727 0 40 DDAB NC(=O)C1(NS(=O)(=O)Cc2ccccc2F)CCCC1 78806468 GIUNRAHGLZMOOL-UHFFFAOYSA-N 300.355 1.043 0 40 DDAB O=C1NC(N2CCN(c3ccccc3)CC2)=N[C@H]2CCCC[C@@H]12 1718144 RQOSPVWDWCTUIB-CVEARBPZSA-N 312.417 1.853 0 40 DDAB CNC(=O)c1cccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 79354810 ANJNWOFLMWEABR-LLVKDONJSA-N 315.295 1.621 0 40 DDAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nccs1 24258163 GEHQVQMKZGVQIP-UHFFFAOYSA-N 303.265 1.962 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 6729789 ITENAFXBHSLJTK-RQJABVFESA-N 305.330 1.820 0 40 DDAB CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)NC(N)=O)cc1 6949243 ZJHGXXFJHNEGQP-BENRWUELSA-N 323.356 1.645 0 40 DDAB Cc1csc(=O)n1CC(=O)NC[C@@H]1COc2ccccc2O1 7781275 JSIYYJXVKMBKDK-LLVKDONJSA-N 320.370 1.174 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccccc1C(=O)N(C)C 25152430 ODJDDRXUXHYCIX-DGCLKSJQSA-N 317.389 1.489 0 40 DDAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1C 8508252 YOKYCGRRNXPPRZ-UHFFFAOYSA-N 310.419 1.594 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](NC2CCOCC2)C(C)C)n1C 72304034 CVQUYZNREWTHHN-INIZCTEOSA-N 307.438 1.743 0 40 DDAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(-c2ncon2)cc1 107357807 ZGJFEWYGVUOAGD-LBPRGKRZSA-N 312.373 1.951 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@@H](OC(C)=O)C[C@H]21 103921765 YIKPHGGPWWGXSQ-SVNGYHJRSA-N 306.314 1.013 0 40 DDAB Cc1ccc(C(=O)CCC(=O)NCCN2CCOCC2)s1 23624580 VXNDCFNUYHIITR-UHFFFAOYSA-N 310.419 1.468 0 40 DDAB C[C@H](CNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])N1CCc2sccc2C1 44491527 PVHDRJFKGMYCEI-USWWRNFRSA-N 309.391 1.276 0 40 DDAB CCN1CCN(C(=O)c2cc(=O)c3cc(C)ccc3o2)CC1 58171220 HSYIRQBEOMLGQY-UHFFFAOYSA-N 300.358 1.879 0 40 DDAB COc1ccc(C(=O)NCCC(=O)N2CCCCCC2)c(O)c1 58197221 KYQHWBHLPLAUJJ-UHFFFAOYSA-N 320.389 1.923 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)n1nnc(-c2ccc(F)c(C)c2)n1 58192672 DYEGLQMCSPTSOG-SECBINFHSA-N 320.328 1.194 0 40 DDAB COc1cccc(NC(=O)COc2c(C)n(C)ccc2=O)c1 44890848 UOKQVTAJQBOMDF-UHFFFAOYSA-N 302.330 1.720 0 40 DDAB COc1ccc(Cl)cc1NCCC(=O)NCC(=O)N(C)C 58294189 BXLZSNBSLPRUFA-UHFFFAOYSA-N 313.785 1.355 0 40 DDAB Cc1cc(CN(C)C(=O)CCS(=O)(=O)C2CCCC2)no1 44949816 DYVMYWOFGKKIKF-UHFFFAOYSA-N 314.407 1.689 0 40 DDAB O=C(O)[C@H]1CCN(CC(=O)N2CCSc3ccccc32)C1 62133802 MQBUIMRGRRHUSW-NSHDSACASA-N 306.387 1.532 0 40 DDAB COCC(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 107722163 FKLAHSROEJGCEE-SGMGOOAPSA-N 310.325 1.004 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)n(C)c1 48264246 HUYXIAUTKIRUDF-UHFFFAOYSA-N 314.341 1.776 0 40 DDAB COCCN1CCCN(C(=O)c2ccc(C(C)=O)s2)CC1 48251617 RBHRHJZJMGKYEK-UHFFFAOYSA-N 310.419 1.745 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCCn1cccn1 58381999 NAFSQTAUSIWVGI-AWEZNQCLSA-N 315.373 1.962 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 57355459 XDXFMVFAWRPMTE-WBVHZDCISA-N 317.433 1.664 0 40 DDAB CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F 45163681 VBXNUZXMAMEIFP-UHFFFAOYSA-N 310.297 1.120 0 40 DDAB COC(=O)CCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 58757944 RKFBQQYYMLWDNE-UHFFFAOYSA-N 307.346 1.762 0 40 DDAB Nc1cccc2c1C(=O)N(CC(=O)N1CCc3ccccc31)C2=O 3322235 BYTKMJVGAYJRNR-UHFFFAOYSA-N 321.336 1.454 0 40 DDAB O=C(NCCNC(=O)c1ccco1)N[C@H]1CCc2ccccc21 45663092 VWDZNEWFGMHSJX-AWEZNQCLSA-N 313.357 1.996 0 40 DDAB CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1 56158666 KISOVTSCDMELOD-JTQLQIEISA-N 320.349 1.607 0 40 DDAB C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)S(C)(=O)=O 45800908 PBGLUZFCYNYXST-ZCFIWIBFSA-N 307.274 1.380 0 40 DDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)c1cccs1 29449498 HYJGFQJZOKVOOR-UHFFFAOYSA-N 324.427 1.598 0 40 DDAB COc1ncccc1C(=O)NCc1cccnc1-n1ccnc1 29909298 JSEYCACEAXCSFW-UHFFFAOYSA-N 309.329 1.601 0 40 DDAB O=C1[C@@H]2CCCN2C(=O)N1CC(=O)N1CCCc2ccccc21 12884906 ZZRACXYWSKQPOO-AWEZNQCLSA-N 313.357 1.392 0 40 DDAB COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 101708714 JPAWOGNDZWNFKT-LLVKDONJSA-N 317.341 1.897 0 40 DDAB COC(=O)COc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 47181492 MATUJQPDEFHKHS-UHFFFAOYSA-N 302.286 1.124 0 40 DDAB COCCCNC(=O)Nc1ccccc1C(=O)NCCCOC 20246639 BYOCLYBPZJTGOW-UHFFFAOYSA-N 323.393 1.611 0 40 DDAB CCN(CC)C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20453307 SWBDZAGZIWKGBH-ZDUSSCGKSA-N 312.391 1.082 0 40 DDAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NC1CC1 3504916 CQPWGNNIASMWOR-LBPRGKRZSA-N 320.370 1.311 0 40 DDAB CN(C)CCOCCNS(=O)(=O)c1ccc(F)cc1Cl 96012537 OSJGECGHRRPYQL-UHFFFAOYSA-N 324.805 1.336 0 40 DDAB Cc1c(C)c2ccc(OCC(=O)NCC(=O)O)c(C)c2oc1=O 4044604 FGILJSCZBNBISL-UHFFFAOYSA-N 319.313 1.298 0 40 DDAB biogenic O=C(NCCc1ccc(O)cc1)C(=O)Nc1ccnc(Cl)c1 13691901 PVYXRDDPOZJAFT-UHFFFAOYSA-N 319.748 1.738 0 40 DDAB Cc1cccc(NC[C@H]2CCN(CCN3CCCC3=O)C2)n1 65502676 PKMNYLAOMUIZAI-OAHLLOKOSA-N 302.422 1.746 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)Cn1ccnc1 65512361 BNSSCLDOQQRTFF-CYBMUJFWSA-N 304.442 1.984 0 40 DDAB Cc1c(C)n(CCO)c2ncn3nc(-c4ccncc4)nc3c12 9418739 XEJSUHNHKZYFOM-UHFFFAOYSA-N 308.345 1.750 0 40 DDAB COC(=O)Cn1ncc2c(N3C[C@H]4CCC[C@H]4C3)ncnc21 95410691 ZSQVTXHSSRMWIA-PHIMTYICSA-N 301.350 1.236 0 40 DDAB Cc1cc(NC(=O)C2CCN(C(=O)[C@H]3CCOC3)CC2)no1 66898627 OQRSIDDTBGREHQ-LBPRGKRZSA-N 307.350 1.197 0 40 DDAB COCCN(CCNC(=O)N1CCn2cccc2[C@@H]1C)C1CC1 71796316 XOSMTJPOORBOII-AWEZNQCLSA-N 320.437 1.685 0 40 DDAB C[C@H](OC(=O)c1cncc(Br)c1)C(=O)NC1CC1 6916827 HFIGVHPHKAMATD-ZETCQYMHSA-N 313.151 1.668 0 40 DDAB Cc1ccc(-c2nnc(SCc3nc(N)nc(N)n3)o2)cc1 7113647 BNJTWCSRGIIZNZ-UHFFFAOYSA-N 315.362 1.687 0 40 DDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(=O)[nH]c2ccccc12 15541799 XQJYQKSPUSCELF-UHFFFAOYSA-N 320.308 1.950 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccccc3)C[C@H]2N1Cc1cccnc1 67897126 FWACSQVSPOAPRM-MSOLQXFVSA-N 323.396 1.693 0 40 DDAB biogenic,in-vitro C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)CC2)cc1 68257783 HKMUYISROWLHPI-SMDDNHRTSA-N 315.373 1.243 0 40 DDAB O=C(NCc1nc(C2CC2)no1)c1cc2ccccc2c(=O)[nH]1 71821352 DIYHCCRSBZDTOU-UHFFFAOYSA-N 310.313 1.719 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1cc(NC(C)=O)ccc1OC 8280041 VGJWRABKWTVQSI-SECBINFHSA-N 300.380 1.730 0 40 DDAB Cc1csc(N2CCN(CCCS(C)(=O)=O)C[C@@H]2C)n1 70040410 UEBXPHIFVLDTEJ-LBPRGKRZSA-N 317.480 1.397 0 40 DDAB C[C@@](O)(CNC(=O)C1(O)Cc2ccccc2C1)c1ccco1 81835896 YHNWQCGFMDGUTM-MRXNPFEDSA-N 301.342 1.133 0 40 DDAB COc1ccccc1C[C@H](C)N(C)c1ccc(C(N)=O)nn1 91484885 LHBPTSJSEVUUET-NSHDSACASA-N 300.362 1.652 0 40 DDAB CCc1nnc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)s1 17029296 NGWPDQQUDPZPRC-UHFFFAOYSA-N 320.374 1.626 0 40 DDAB CCOc1ccc(-c2noc(CN3CCN(C)CC3)n2)cc1 69463217 HXGAHAFPKTZXNG-UHFFFAOYSA-N 302.378 1.883 0 40 DDAB CNC(=O)c1ccc(CN(C)c2cc(COC)ncn2)cc1 83882284 KCQROLZRZHKANG-UHFFFAOYSA-N 300.362 1.619 0 40 DDAB CC(=O)c1ccc(-n2c(C)cn(CCS(C)(=O)=O)c2=O)cc1 69529530 FKSNGLACOOHSDN-UHFFFAOYSA-N 322.386 1.195 0 40 DDAB Cc1noc([C@@H](C)N2CCN(CCOCC(F)(F)F)CC2)n1 69627756 XDLJMMVGGLEEQK-SNVBAGLBSA-N 322.331 1.636 0 40 DDAB CN1C(=O)S/C(=C/N2CCN(c3ccccc3)CC2)C1=O 8642921 GTFJLAOSNBZTFO-ACCUITESSA-N 303.387 1.975 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 69974102 FLKOIBBQOCWJTH-HNNXBMFYSA-N 318.421 1.758 0 40 DDAB COC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(C)C 8995357 INTQPKZUKIWLEP-ZDUSSCGKSA-N 305.334 1.352 0 40 DDAB CCn1cc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)cn1 97082332 XKVZRBJLAXDMMI-UHFFFAOYSA-N 319.409 1.864 0 40 DDAB O=c1c2ccncc2ncn1C[C@H](O)COc1ccc(F)cc1 97080151 ZUTOVBZQFURNQB-LBPRGKRZSA-N 315.304 1.371 0 40 DDAB Cc1ccc(NC(=O)CC2(C(=O)NCC(N)=O)CCCC2)cc1 72236017 DKYFHDDCCZRKPD-UHFFFAOYSA-N 317.389 1.486 0 40 DDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C3CCCCC3)C2)N1 72295707 HTLNKUFSKGYCMJ-BFQNTYOBSA-N 305.378 1.013 0 40 DDAB C[C@@H](Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(N)=O 72286876 BTADGHUQUYJKHG-SSDOTTSWSA-N 311.267 1.843 0 40 DDAB O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)N[C@H]1C=CCCC1 95941498 SFAOXALCVNRDDA-WCQYABFASA-N 306.387 1.923 0 40 DDAB COC(=O)[C@H](C)N(CC(=O)N(C)CC1CC1)Cc1ccccc1 89496775 RCUWYYCHGWVJHL-AWEZNQCLSA-N 318.417 1.919 0 40 DDAB O=C1CC[C@H](C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)N1 89830529 MIZGRRMCUPBKSZ-HZPDHXFCSA-N 316.401 1.515 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)N1CCc2c(F)cc(F)cc2C1 89904444 ZTWUUVLPDQAQCF-JTQLQIEISA-N 321.331 1.713 0 40 DDAB COc1ccccc1CNC(=O)CN1[C@@H](C)CCC[C@@H]1CO 89927534 BAGAJUOQRPLCGR-DZGCQCFKSA-N 306.406 1.547 0 40 DDAB Cc1cc([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)n[nH]1 76059686 PEMJJHDVUOGQRX-AWEZNQCLSA-N 306.410 1.146 0 40 DDAB Cc1ncc(C(=O)N2CC[C@H]([C@H](F)C(=O)O)C2)c(C2CC2)n1 1548598694 FRYCGLRKCDMRDH-JQWIXIFHSA-N 307.325 1.547 0 40 DDAB CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)O)[C@@]1(C)C(=O)c1ccccc1N 72390516 CENYSOQVSLFFRT-PEBVRCNWSA-N 318.373 1.703 0 40 DDAB Cc1cc(NCCN2CCCC2=O)nc(C2CCNCC2)n1 72365320 YDZMEVXBFCIMGC-UHFFFAOYSA-N 303.410 1.286 0 40 DDAB COCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1 35315750 GYGSTYQIOAZHQF-UHFFFAOYSA-N 322.409 1.163 0 40 DDAB Cc1nc(-c2cccs2)ccc1C(=O)NCC(=O)N(C)C 32212774 OIPFGDRRGQQRPW-UHFFFAOYSA-N 303.387 1.937 0 40 DDAB Cn1nccc1[C@@H]1CCC[C@@H](NC[C@]2(CCO)CCOC2)C1 560036648 KXOSHLKWVDGNNP-INMHGKMJSA-N 307.438 1.825 0 40 DDAB CN1CCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 36633859 HVURISGLOUXEOT-ZDUSSCGKSA-N 307.781 1.219 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1F 72241598 UJHABYLHDXKADC-JKSUJKDBSA-N 320.364 1.783 0 40 DDAB Cc1cccc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72364514 IOPBBPPEDJFKND-CYBMUJFWSA-N 320.418 1.692 0 40 DDAB CCOC(=O)[C@H](C)N1CCCN(C(=O)OC(C)(C)C)CC1 40448885 AIKMHBGFMRDTMI-LBPRGKRZSA-N 300.399 1.881 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)n1cc2c(n1)c(C)nn2C 40715002 FHHMCMOLUSTWFH-LLVKDONJSA-N 315.381 1.628 0 40 DDAB CCN(C(=O)[C@@H](C)n1cccn1)[C@H](C)CS(=O)(=O)CC 79041496 IFVXJLQNUBCARW-VXGBXAGGSA-N 301.412 1.116 0 40 DDAB CCCc1nc(N2CCN(C)CC2)c2c(n1)c(C)nn2CC 72237840 YJDIHMLRCFUKRZ-UHFFFAOYSA-N 302.426 1.859 0 40 DDAB NC(=S)Nc1ccc(N2CCOCC2)c(Br)c1 45958086 FJLZOBYFFLNWMF-UHFFFAOYSA-N 316.224 1.941 0 40 DDAB CC[C@@H](CO)NC(=O)NC1CCN(Cc2ccsc2)CC1 225437743 IJHIMCAHNYUKSK-ZDUSSCGKSA-N 311.451 1.783 0 40 DDAB CCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226097937 AJYFQLHRVPALMY-UHFFFAOYSA-N 310.419 1.540 0 40 DDAB Cc1c(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)ccn1C 44901012 XPDPJADXSLYKEM-UHFFFAOYSA-N 316.313 1.440 0 40 DDAB Cc1ccccc1[C@H](C)CC(=O)NCCCNS(C)(=O)=O 96407478 PLOKSBDIMRNGQP-CYBMUJFWSA-N 312.435 1.544 0 40 DDAB Cn1cc(-c2cnc(-c3ccnn3C)nc2)cc1C(=O)NC1CC1 96266365 PXKNFKJAKBRYFM-UHFFFAOYSA-N 322.372 1.775 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)on1 97372127 FTCWGXDFSJWMTJ-ZDUSSCGKSA-N 319.748 1.950 0 40 DDAB Cc1cc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)on1 96402737 BDNCTBSBITYUFW-UHFFFAOYSA-N 308.301 1.322 0 40 DDAB O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1ccco1 96044352 ZPKXYAXGKSDUJG-CQSZACIVSA-N 301.346 1.930 0 40 DDAB COC[C@@H]1c2c(cnn2C)CCN1C(=O)Cc1ccsc1 96197723 HNZWMLZQJCKRQE-CYBMUJFWSA-N 305.403 1.797 0 40 DDAB Fc1cnc(N2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)nc1 96207364 PVYNEYPWAXGXFG-BBRMVZONSA-N 316.336 1.828 0 40 DDAB COc1cc(COC[C@@H](O)CN)cc(OC)c1Br 95096250 JJDJTTYLHKYLEV-VIFPVBQESA-N 320.183 1.303 0 40 DDAB CCNC(=O)NS(=O)(=O)c1cccc(Br)c1 148700585 LSRJZSGVADLFIR-UHFFFAOYSA-N 307.169 1.457 0 40 DDAB COc1ccccc1C1(CNC(=O)NCC2(O)CCC2)CC1 96416068 HPKBTVMZXSCTSA-UHFFFAOYSA-N 304.390 1.941 0 40 DDAB C[C@H](NC(=O)C1CCN(C2CCCCC2)CC1)c1n[nH]c(=O)[nH]1 95363123 SAQUGIXKDUBZMH-NSHDSACASA-N 321.425 1.320 0 40 DDAB CN(C)C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 96055517 OXSCNDDICJOBTB-BFHYXJOUSA-N 305.378 1.621 0 40 DDAB CN(C)C(=O)CN1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96038526 LXLSBQOXYAKCGP-GASCZTMLSA-N 305.397 1.278 0 40 DDAB COc1ccc([C@H]2CN(C(=O)c3cnco3)CCN2C)cc1 257219413 DGRGTJBVMBTHGC-CQSZACIVSA-N 301.346 1.812 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)c2csc(C(C)C)c2)CC[C@@H]1O 257238751 HMJZILQVKWEVAG-KBPBESRZSA-N 324.446 1.973 0 40 DDAB CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)c1 257335533 YKPGTNGIPWDBAI-FVQBIDKESA-N 307.390 1.910 0 40 DDAB Cn1ccnc1C(=O)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585279788 PHVKQNXJHGVPPJ-HIFRSBDPSA-N 317.364 1.625 0 40 DDAB COc1ccc(CCC(=O)N2CCC(CC(N)=O)CC2)cc1F 49392498 KQEMCCKMDVNPGB-UHFFFAOYSA-N 322.380 1.881 0 40 DDAB COC(=O)[C@@H](NC(=O)c1nc(C)n2c1CCCC2)C(C)(C)C 75091973 IYELYQLYKWQHFR-CYBMUJFWSA-N 307.394 1.845 0 40 DDAB CN1CCN(C2CCN(CC(=O)NC3CCCCC3)CC2)C1=O 75604035 ZNKYLXLOJPJCQL-UHFFFAOYSA-N 322.453 1.267 0 40 DDAB Cc1ccc(C(=O)N(C)C)cc1OCC(=O)NC1CCOCC1 76291426 IRSLGOPDBGDSHP-UHFFFAOYSA-N 320.389 1.371 0 40 DDAB Cc1cccnc1CNC(=O)NCc1cn(-c2ccccc2)nn1 87161407 SPJMUIGAKFWVDF-UHFFFAOYSA-N 322.372 1.970 0 40 DDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1 89371285 UURLSFLLEHQQCY-SKDRFNHKSA-N 315.728 1.846 0 40 DDAB Cc1ccccc1C[C@]1(CO)CN(C2CCOCC2)CCO1 1615142681 TVRGIDSCXKYVHO-GOSISDBHSA-N 305.418 1.780 0 40 DDAB O=C(CN1CCC(c2ccc(F)cc2)CC1)N1CCOCC1 12113948 WPGLTVCVKBUTGW-UHFFFAOYSA-N 306.381 1.864 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CC3)n2)s1 12181629 GDWQBWMAPUSFCI-VIFPVBQESA-N 318.402 1.702 0 40 DDAB COc1ccccc1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 13793903 NCDZEZSOLRSSDX-LBPRGKRZSA-N 312.391 1.448 0 40 DDAB Cc1nnc(NC(=O)C[C@H]2CSc3ncc(C)c(=O)n32)s1 14032317 MTLHUXMJVSCBMQ-QMMMGPOBSA-N 323.403 1.387 0 40 DDAB Cn1ncnc1CN1CCN(c2nsc3ccccc23)CC1 1888891090 ZVOOHUPYGRHUSR-UHFFFAOYSA-N 314.418 1.747 0 40 DDAB O=C(O)CCCNS(=O)(=O)c1ccccc1C(F)(F)F 6528660 VOSKFJRFTNXBJW-UHFFFAOYSA-N 311.281 1.849 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 20200925 KVVPTNITOZQRNL-NEPJUHHUSA-N 308.378 1.101 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCCC23OCCO3)cc1 1557575496 SFHUPFQALHUPLI-AWEZNQCLSA-N 316.357 1.837 0 40 DDAB COc1ccc(C)cc1NC(=O)C(=O)NCCCn1ccnc1 5250873 KHVVRQHAGWPTPW-UHFFFAOYSA-N 316.361 1.345 0 40 DDAB Cc1ncsc1C(=O)NCc1cn(-c2cccnc2)nn1 575618370 MDMWLJOECXJYDO-UHFFFAOYSA-N 300.347 1.357 0 40 DDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(F)c(C)c1)OC 575613907 XWCVVCJEIFDNDI-CYBMUJFWSA-N 305.371 1.464 0 40 DDAB O=S(=O)(c1cccs1)N1CCN(c2cnsn2)CC1 585148995 VQXCFGWYXBNOQC-UHFFFAOYSA-N 316.433 1.111 0 40 DDAB CCCc1cc(=O)n2nc(C(=O)NCc3ccccc3)nc2[nH]1 101414307 LLAHQMDJPVFPGG-UHFFFAOYSA-N 311.345 1.300 0 40 DDAB NC(=O)c1cccc(C(=O)N2CCN(c3nccs3)CC2)c1 30584072 FILGVDYGQZZQAA-UHFFFAOYSA-N 316.386 1.204 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)c1ccc(C(F)(F)F)nc1 40540821 QQNKRCDCHLZYLP-VIFPVBQESA-N 301.268 1.499 0 40 DDAB Cc1ccc(S(=O)(=O)NCCc2cccnc2)cc1C(N)=O 40511337 BBFOTSFDJGTCHI-UHFFFAOYSA-N 319.386 1.010 0 40 DDAB CCC[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O 40536213 KWMVCXSNXZNZKM-KRWDZBQOSA-N 317.389 1.756 0 40 DDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n(C)n1 40512239 BWKBATNMTGJZKB-AWEZNQCLSA-N 312.373 1.716 0 40 DDAB O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)Cn1cccn1 51536452 UPPLJLICZRJATF-MRXNPFEDSA-N 320.824 1.720 0 40 DDAB COC(=O)CCCN(C)C(=O)c1cc(=O)[nH]c2ccccc12 32278754 NWUUUTBVXJMOPB-UHFFFAOYSA-N 302.330 1.553 0 40 DDAB Cc1cccc(N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 52634840 ZUBHORMBAAHTQH-OCCSQVGLSA-N 310.419 1.441 0 40 DDAB Cc1cnc(C(=O)NCc2ccccc2Cn2cncn2)cn1 33105256 XJYNKTPPJZWYBE-UHFFFAOYSA-N 308.345 1.355 0 40 DDAB C[C@H](Cc1ccco1)NC(=O)c1cnc2n(c1=O)CCS2 33208444 JUHBVLNVTBBBAC-SECBINFHSA-N 305.359 1.303 0 40 DDAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 53646077 XOOVBWLPOMGQEC-UHFFFAOYSA-N 310.419 1.357 0 40 DDAB Cn1ncc2c(NC[C@@H](CO)Cc3ccc(F)cc3)ncnc21 42103544 WXWHSOWPKLJXKS-LBPRGKRZSA-N 315.352 1.766 0 40 DDAB O=c1[nH]c(CCN(C[C@H]2CCOC2)C2CC2)nc2ccccc12 54175125 IVPSHDQRBFVLSM-CYBMUJFWSA-N 313.401 1.967 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCN(C)C1CCCCC1 61717764 ZICPMDRAXOUJIO-UHFFFAOYSA-N 315.439 1.834 0 40 DDAB CNC(=O)c1cc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)ccc1Cl 71288302 DWJOPUYCVKDLCS-MNOVXSKESA-N 324.764 1.995 0 40 DDAB Cc1cccnc1CN1CCCC[C@@H]1C(=O)N1CCOCC1 93171423 ZKGZTDXGQCSLSA-MRXNPFEDSA-N 303.406 1.603 0 40 DDAB CCn1nnnc1SCC(=O)c1ccc(OC)cc1OC 419662 JOPKNCIUVBPBOE-UHFFFAOYSA-N 308.363 1.685 0 40 DDAB CCN(CC)S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C 23404122 OMNTVNAZHYMJKC-CQSZACIVSA-N 322.434 1.686 0 40 DDAB CSC[C@@H](C)C(=O)NCC1(N2CCOCC2)CCCC1 78997814 MVCFEVATQQYNGR-CYBMUJFWSA-N 300.468 1.747 0 40 DDAB C[C@@H]([C@@H](C)NC(=O)N1CCCSCC1)N1CCOCC1 105298805 OVSCXWBETIUPNC-OLZOCXBDSA-N 301.456 1.244 0 40 DDAB Cc1nnsc1-c1nnc2sc(-c3csnn3)nn12 79485904 MBYVBCDKJPUYHI-UHFFFAOYSA-N 308.377 1.531 0 40 DDAB COC(=O)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 2516180 NLYCOISOOAHTQJ-AWEZNQCLSA-N 322.361 1.227 0 40 DDAB biogenic Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCC(C(N)=O)CC2)n1 42949073 VNJLWXZXHMRPKZ-LLVKDONJSA-N 321.425 1.043 0 40 DDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCc2ccco2)c1 24958426 NVNVPVWSLNPZAV-UHFFFAOYSA-N 308.359 1.890 0 40 DDAB Cc1ccnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 107519488 QIPVBOZZZJJLLX-SJORKVTESA-N 310.401 1.875 0 40 DDAB OCC[C@@H]1CN(Cc2ccon2)CCN1Cc1ccsc1 23373772 YZCHUYAFCXKZPP-OAHLLOKOSA-N 307.419 1.805 0 40 DDAB O=C(N[C@@H]1COc2ccccc2C1=O)c1cccc2cn[nH]c12 95463111 UGLPXRLZYUFBLT-CYBMUJFWSA-N 307.309 1.937 0 40 DDAB CCN1C[C@@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O 44911881 JZDXUEIJHUIRHI-LBPRGKRZSA-N 315.377 1.819 0 40 DDAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)[nH]c(S)nc2c1 44917283 JOSSABSIHDAZNC-SECBINFHSA-N 305.359 1.121 0 40 DDAB Cn1cnn(CCc2cc(Cl)c3c(c2)OCCCO3)c1=O 95462997 IVTYVGOBQNILLS-UHFFFAOYSA-N 309.753 1.639 0 40 DDAB CCC[C@@H](C)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 12784674 KOALFNZGOPUGTN-LLVKDONJSA-N 303.362 1.385 0 40 DDAB O=C(OCC(=O)N1CCOCC1)c1cnc(Cl)c(Cl)c1 3318551 QALAXLYRKHDRQZ-UHFFFAOYSA-N 319.144 1.404 0 40 DDAB O=C(CNC(=O)NCC1CC1)Nc1ccc(F)c(F)c1F 58356282 CKLQTTWHGDJNLK-UHFFFAOYSA-N 301.268 1.752 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCN(C(C)C)C2)c1C 58357341 PKTOUDUGCPXSNT-ZDUSSCGKSA-N 321.421 1.878 0 40 DDAB CCSc1nnc2ccc(S(=O)(=O)N(CC)CC)cn12 58459066 DPFGNOFNGBWRJA-UHFFFAOYSA-N 314.436 1.872 0 40 DDAB CC(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCOCC1 48333539 ZJVGCQGUUZLKQF-RDJZCZTQSA-N 318.417 1.463 0 40 DDAB CN(Cc1ccco1)C(=O)c1cccc(NS(C)(=O)=O)c1 36310228 IJFZOSXPWACRQE-UHFFFAOYSA-N 308.359 1.923 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CC1=O 45309299 QWDXFRUZFASHHK-STQMWFEESA-N 322.430 1.907 0 40 DDAB COc1ccc([C@H](C)NC(=O)c2ccc(=O)[nH]c2)cc1OC 45383297 AZIJSFMFVZVKCC-JTQLQIEISA-N 302.330 1.883 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)c3c(C)noc3C)CCO2)n1 76045290 ZESBXGPHVFLKRD-PELKAZGASA-N 319.365 1.422 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101469084 RFXLAFBMVCLYPX-FQUUOJAGSA-N 303.314 1.678 0 40 DDAB NC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 36728140 RTCXFTBNIVKMCB-UHFFFAOYSA-N 322.320 1.822 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1cc2ccccc2c(=O)[nH]1 45908478 LNBNFAVJEUDLKU-UHFFFAOYSA-N 301.346 1.256 0 40 DDAB O=C(Cn1nc(O)c2ccccc2c1=O)NC1CCCCCC1 2621166 OXNZOZHCDLQXNY-UHFFFAOYSA-N 315.373 1.941 0 40 DDAB CN(Cc1ccccc1)C(=O)CN1C(=O)C2(CCCC2)N=C1O 2642339 VEGHHCMGURQIEJ-UHFFFAOYSA-N 315.373 1.714 0 40 DDAB C[C@H]1C[C@H](N[C@H](C)CCn2cncn2)C(=O)N1c1ccccc1 110703948 ILRLQKCBLGXCQD-YCPHGPKFSA-N 313.405 1.840 0 40 DDAB Cc1cc(N2CCN(Cc3ccsc3)CC2)n2ncnc2n1 12984404 BBHBNJRLWIOJOJ-UHFFFAOYSA-N 314.418 1.816 0 40 DDAB COc1ccc(C(=O)NCCCNC(=O)c2ccco2)cc1 13494575 KLUISCPRXYOIQI-UHFFFAOYSA-N 302.330 1.838 0 40 DDAB CCCN1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 39399124 GSSYKQUPSOAAAM-UHFFFAOYSA-N 319.430 1.951 0 40 DDAB CN1[C@H](Cc2ccccn2)[C@@H](O)c2ccccc2S1(=O)=O 13722110 VZYKVXKJYWQTMQ-HIFRSBDPSA-N 304.371 1.360 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1C 13985659 OLQSDQLXKYKXOK-CYBMUJFWSA-N 310.419 1.559 0 40 DDAB Cc1c(C(=O)NC[C@H](C)Cn2cccn2)cnn1-c1ccccn1 65604964 RKXLOPGJEIXMHL-ZDUSSCGKSA-N 324.388 1.838 0 40 DDAB O=C(Cc1cccc(C(F)(F)F)c1)NCC(=O)NC1CC1 6989469 OZIKMYNDEOPVFE-UHFFFAOYSA-N 300.280 1.643 0 40 DDAB O=C(Cc1nc2ncccn2n1)N1CCC[C@@H](C(F)(F)F)C1 71793178 NZBPLBQWUPZHOI-SECBINFHSA-N 313.283 1.468 0 40 DDAB CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C)c2)C1 67244576 RGLGOVWSYYBONU-CYBMUJFWSA-N 320.418 1.102 0 40 DDAB CC[C@@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H](C)O1 96447223 BRRMUZJKUYWDQS-TZMCWYRMSA-N 309.414 1.476 0 40 DDAB CSC[C@@](C)(O)CNC(=O)c1cc(Br)cn1C 80404646 MVSZRXMFAAELSU-NSHDSACASA-N 321.240 1.631 0 40 DDAB Cn1cccc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 71825689 VYPIKCWNBWBEQS-LBPRGKRZSA-N 304.371 1.674 0 40 DDAB CN1CCN(S(=O)(=O)c2cccnc2)Cc2ccccc21 69162206 BNVPVIOYXJUWMV-UHFFFAOYSA-N 303.387 1.722 0 40 DDAB COC(=O)[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1O 91303003 PYNCMPUDZHHRNB-VXGBXAGGSA-N 313.394 1.948 0 40 DDAB in-vitro CCN(C(=O)[C@H]1CC(=O)N([C@H](C)COC)C1)c1ccccc1 8235003 WVNHGWPIVLKKOC-KGLIPLIRSA-N 304.390 1.923 0 40 DDAB NC(=O)NC(=O)CCN(Cc1ccccc1)CC1CCOCC1 71897269 ILJWFWGNTSDBNR-UHFFFAOYSA-N 319.405 1.500 0 40 DDAB Cc1cc(C)c(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)c(=O)[nH]1 81818249 OTNHHOMVVCSYSP-QGZVFWFLSA-N 318.373 1.839 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 69349927 JCRPZOOXZFPUHM-AWEZNQCLSA-N 317.393 1.661 0 40 DDAB CCCCN(C(=O)CC(C)C)c1c(N)n(CCC)c(=O)[nH]c1=O 8389703 XZXZVCUVERBXTO-UHFFFAOYSA-N 324.425 1.708 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCC(Nc2cccnn2)CC1 69661691 AOQDWJLAQUNZJC-MRXNPFEDSA-N 324.384 1.883 0 40 DDAB COC(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c1 69697618 VXBIKOGOVGVLMS-ZDUSSCGKSA-N 304.346 1.070 0 40 DDAB Cc1nc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)no1 69698817 PFXGKQWVUFCKJC-CQSZACIVSA-N 306.410 1.993 0 40 DDAB c1ncn(-c2ccc(CNC[C@H]3CN(C4CC4)CCO3)cc2)n1 69738477 RZQGKGXOVOGTIB-KRWDZBQOSA-N 313.405 1.220 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2)C1 69846685 JKAVRTPLTVYFAY-CQSZACIVSA-N 304.390 1.830 0 40 DDAB COc1cccc(CNC(=O)CN[C@@H](C)[C@H](C)n2cccn2)c1 69926560 FSHWUDGDOXACON-KBPBESRZSA-N 316.405 1.747 0 40 DDAB COCCNC(=O)NC(=O)CNc1cc(Cl)ccc1OC 8705790 JPPMOLBVDNYQFG-UHFFFAOYSA-N 315.757 1.233 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)NCCCc2nc(C)no2)c1 72291117 KDGZLBLOFVPGRG-UHFFFAOYSA-N 316.361 1.682 0 40 DDAB CC(C)C[C@@H](NC(=O)[C@@H](C)n1cccn1)C(=O)Nc1cc[nH]n1 84294856 CSIAPDILLAUQJT-VXGBXAGGSA-N 318.381 1.337 0 40 DDAB CNS(=O)(=O)c1cccc(CNc2noc(C(C)(C)C)n2)c1 97115258 UOSSVRSGTWOTFT-UHFFFAOYSA-N 324.406 1.887 0 40 DDAB C[C@H]1CN(C(=O)c2ncccc2O)CCN1C(=O)OC(C)(C)C 95962496 SWRPYDQJIKYCRV-NSHDSACASA-N 321.377 1.869 0 40 DDAB CC(C)=C[C@H]1[C@H](C(=O)OCc2cc(=O)n(C)c(=O)n2C)C1(C)C 84671179 LNRQGEBDPKPKJJ-GXTWGEPZSA-N 320.389 1.366 0 40 DDAB CCn1nc(C)cc1C(=O)NCC1CCN(CCOC)CC1 89300366 AFJBMJHBBZGKQU-UHFFFAOYSA-N 308.426 1.300 0 40 DDAB COc1ccc(CCC(=O)NCC(=O)NC(C)(C)C)cc1OC 9917611 YZQGTLGENWBBTJ-UHFFFAOYSA-N 322.405 1.667 0 40 DDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2 89518794 QGNVWBVTRFSSNB-NEPJUHHUSA-N 307.394 1.822 0 40 DDAB CCOC(=O)[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(C)(C)C 75108716 DBWWQDOJGUJOHP-VXGBXAGGSA-N 321.439 1.453 0 40 DDAB CNC(=O)c1c(C)cccc1NCc1nsc(N(C)C)n1 89659797 XPRSFROXGPEIKT-UHFFFAOYSA-N 305.407 1.884 0 40 DDAB Cc1cc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)ccn1 1548453723 UIKNWOSPGAEDSC-ZDUSSCGKSA-N 302.378 1.200 0 40 DDAB CON1CCC(CC(=O)N2CCC([C@@H]3NCC3(C)C)CC2)CC1 1548562388 NFLGTVZWRAFSCQ-KRWDZBQOSA-N 323.481 1.887 0 40 DDAB O=C(CNCc1cccs1)NCc1ccc2c(c1)OCO2 35311462 KFBDRRNVHZSXOC-UHFFFAOYSA-N 304.371 1.883 0 40 DDAB COc1coc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1=O 524735572 KZGXPKKJUFOSQS-SNVBAGLBSA-N 317.297 1.218 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1 30376704 QLUQAFFVEONKKI-UHFFFAOYSA-N 310.297 1.828 0 40 DDAB Cc1nccc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72364454 BVYFWELHFWJOGE-CYBMUJFWSA-N 322.390 1.916 0 40 DDAB CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392898 LNLLRHQRKWFQOM-OAHLLOKOSA-N 319.405 1.452 0 40 DDAB CC(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321062 LNQCPIUDWJNUQO-CZUORRHYSA-N 306.362 1.220 0 40 DDAB biogenic,in-vitro CCn1nccc1CCSc1nnnn1-c1ccc(O)cc1 189456777 YYGHHDNDPATOLX-UHFFFAOYSA-N 316.390 1.919 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 71256107 QWPLMQDSSZGEIH-JTQLQIEISA-N 305.396 1.247 0 40 DDAB O[C@@H]1CCCN(Cc2cc(-c3ccccc3)cn3nnnc23)C1 72392381 HCJNWVMGYPREGU-MRXNPFEDSA-N 309.373 1.748 0 40 DDAB Cn1c(C(=O)OCC(N)=O)cc2cc(C(F)(F)F)ccc21 76873483 MUWOUQBLCFDIDH-UHFFFAOYSA-N 300.236 1.839 0 40 DDAB Cc1n[nH]c(=S)n1/N=C/c1ccc(OCCC(=O)O)cc1 43922650 OAVQUZGAWXPHBF-RIYZIHGNSA-N 306.347 1.985 0 40 DDAB O=C(OCc1ccccc1)N1CCN(Cc2ncccn2)CC1 192122140 WCYFFNSZRIJRQI-UHFFFAOYSA-N 312.373 1.931 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCc3ccncc3)c(O)n2c1 226821977 VJVIGXDPGRJGDP-UHFFFAOYSA-N 310.313 1.034 0 40 DDAB Cn1cc(CC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cn1 195569836 RTOBWJKSTVYJLJ-ZDUSSCGKSA-N 311.744 1.605 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 225587375 KKPJIXDBDQMFPQ-IGQOVBAYSA-N 323.370 1.183 0 40 DDAB O=C(NC[C@@]1(O)CCSC1)c1ccn(-c2ccccc2F)n1 82966050 SSIRFHNNWHYIJL-HNNXBMFYSA-N 321.377 1.609 0 40 DDAB CC(C)NC(=O)N1Cc2nccn2C[C@@H](CN(C)C(C)C)C1 96188341 UBKIJZVVIJCPDF-CQSZACIVSA-N 307.442 1.773 0 40 DDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)no1 96208356 ZXHYTLWZIJOXKD-WBVHZDCISA-N 305.422 1.917 0 40 DDAB C[C@@H](C(=O)NCc1cccc(NC(=O)N(C)C)c1)n1cccn1 96423184 ZERBGQSYYYPFSA-LBPRGKRZSA-N 315.377 1.854 0 40 DDAB COCCNS(=O)(=O)c1cccc(Br)c1C 96446588 HGRVBICXCFUANT-UHFFFAOYSA-N 308.197 1.682 0 40 DDAB CN(C)CCOCc1nnc2n1CCN(Cc1ccco1)CC2 96058862 IUHHVKJPROOJOZ-UHFFFAOYSA-N 319.409 1.008 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc2c([nH]c1=O)CCCC2 96449520 GJLITDXXGUWWRH-IAGOWNOFSA-N 324.380 1.642 0 40 DDAB O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCCOC1 96444813 QJJDGRUZBIVVPV-LLVKDONJSA-N 322.327 1.330 0 40 DDAB Cn1nnnc1COc1ccc(C(=O)NCc2ccccc2)cc1 96192466 UJCMUOPGSIFMOB-UHFFFAOYSA-N 323.356 1.719 0 40 DDAB O=C([C@H]1CCC2(CCN(c3ncccn3)CC2)O1)N1CCCC1 96061244 YHSMUWCPKJBWDT-CQSZACIVSA-N 316.405 1.617 0 40 DDAB COc1ccc(CCc2n[nH]c(NC(=O)C3CC3)n2)cc1OC 95474842 XEPHPNCJJCTANH-UHFFFAOYSA-N 316.361 1.956 0 40 DDAB O=C(O)[C@H]1CCc2nn(Cc3ccc(F)cc3)c(=O)cc2C1 96531419 WCLGPGCJMOCJOI-NSHDSACASA-N 302.305 1.620 0 40 DDAB CC(=O)N1CCOC[C@@]2(CN(Cc3ccc(F)cc3)CCO2)C1 96049908 POXBKWYBMGTYMX-QGZVFWFLSA-N 322.380 1.275 0 40 DDAB Cc1cccc(NC(=O)c2ccccc2OCc2nnnn2C)n1 96101373 LMTPXDFRYSIMCM-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB Cc1cc(C)c(CNC(=O)N2CCS(=O)(=O)C[C@@H]2C)c(C)c1 96417681 BAQOEUBLABSNII-AWEZNQCLSA-N 324.446 1.940 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN([C@H]2CCc3c(Cl)cccc32)C1 245339099 QLJYXJOBVIINRA-YGRLFVJLSA-N 314.838 1.951 0 40 DDAB CO[C@H]1CCN(C(=O)Cc2c(C)nn(C)c2C)C[C@@]12CCCO2 257226726 FLWDGBOXRUBPCH-RDJZCZTQSA-N 321.421 1.376 0 40 DDAB 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301.390 1.744 0 40 DDAB O=C(c1ccncc1)N1CC(Cn2cc(Br)cn2)C1 1888864050 ABQPUKFFJVLSIX-UHFFFAOYSA-N 321.178 1.813 0 40 DDAB c1cc2sc(=N[C@H]3CCN(C4CCOCC4)C3)[nH]c2cn1 1889077168 LOMHNFYWQXQISA-NSHDSACASA-N 304.419 1.778 0 40 DDAB O=c1cc(N2CC(Cn3cc(Cl)cn3)C2)nc2ccccn12 1889138886 BSJMNPCTTHNYHQ-UHFFFAOYSA-N 315.764 1.681 0 40 DDAB CC(=O)N[C@H](C)C(=O)N(C)Cc1ccc(Br)o1 32914761 HQRIPHDWHSSSBD-SSDOTTSWSA-N 303.156 1.525 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 36885597 MMJOWJPYLLELMJ-UHFFFAOYSA-N 321.757 1.964 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)c3conc3C)CC2)CN1C 1614946188 HVTGRGDVZNKXNL-ZDUSSCGKSA-N 307.394 1.556 0 40 DDAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)c(=O)n2N)c1 4337904 YNWFTGVECHOZNY-UHFFFAOYSA-N 319.390 1.008 0 40 DDAB COc1ccc2c(c1)s/c(=N\C(=O)CSC(C)=O)n2C 13375053 SKPRTUADRWYLEU-YPKPFQOOSA-N 310.400 1.955 0 40 DDAB CCN(CC)CCn1c(S)nc2cc3c(cc2c1=O)OCO3 20644380 ULVCNBUSOGQMDR-UHFFFAOYSA-N 321.402 1.756 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](n3ccnn3)C2)cc1 206935604 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1.839 0 40 DDAB C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C[C@@H](C)O1 7159772 RWUHLABFPOOQIR-CHWSQXEVSA-N 315.373 1.805 0 40 DDAB Cc1ccc(C(C)(C)CNC(=O)NCC(=O)NC2CC2)cc1 71799613 LIPXSTCIIKRVQH-UHFFFAOYSA-N 303.406 1.850 0 40 DDAB CC(C)[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NC(N)=O 7577609 IOGPCAWZIHGXRA-SSDOTTSWSA-N 315.424 1.424 0 40 DDAB CC1(C)CN(C(=O)c2n[nH]c3ccccc23)CCS1(=O)=O 96462360 DPQUQXCDNDFOFO-UHFFFAOYSA-N 307.375 1.212 0 40 DDAB Cc1c(C(=O)N2CCNC(=O)C2(C)C)oc2c1C(=O)CCC2 96405363 ZHWJWCIKFWMSPX-UHFFFAOYSA-N 304.346 1.458 0 40 DDAB CCC(CC)c1cc(C(=O)N[C@H](C)CS(C)(=O)=O)on1 96422365 RCWPGUMKZDMUJL-SECBINFHSA-N 302.396 1.741 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NCc1ccccc1F 7986176 ORVWNAYIIAMDCB-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB CCCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O 16638848 BPAKEDXFZZCSQN-UHFFFAOYSA-N 312.435 1.931 0 40 DDAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1c[nH]c(=O)[nH]1 70038938 RIUCLUOBCKFTFV-GFCCVEGCSA-N 303.318 1.513 0 40 DDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H](n2cccn2)C1 69377843 GLLVWNVCXBCOQJ-OAHLLOKOSA-N 323.360 1.336 0 40 DDAB CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ccccn3)C2)C1 69348210 LPAQTRNGWBGYNS-CVEARBPZSA-N 316.449 1.899 0 40 DDAB OCCN1CCC(CNCc2c[nH]nc2-c2ccccc2)CC1 69436570 GTJHSYRPCVZBTM-UHFFFAOYSA-N 314.433 1.871 0 40 DDAB CCc1nnsc1C(=O)N1CCCN(c2nccs2)CC1 71830809 OICGLRHVRLEZQU-UHFFFAOYSA-N 323.447 1.910 0 40 DDAB COc1ccccc1C[C@@H](C)NC(=O)N1CC[C@@H](C(N)=O)C1 71819725 QRFZYLZGBIIZBQ-DGCLKSJQSA-N 305.378 1.143 0 40 DDAB CCn1cc(CN2CCCN(C(=O)C[C@H]3CCCO3)CC2)cn1 69571446 LMBOSGGNQMSCGU-MRXNPFEDSA-N 320.437 1.506 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NCCCC(=O)O 95348422 LPCMKVPLIYZZCS-UHFFFAOYSA-N 303.318 1.476 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)c1nc(Cl)ccc1Cl 69776171 ONLPBKWHUOWKHP-LLVKDONJSA-N 316.188 1.985 0 40 DDAB C[C@@H]1C[C@@H](N2CCCN(C(=O)CC3CCCC3)CC2)C(=O)O1 69707582 GDMMESZDUMZGSG-UKRRQHHQSA-N 308.422 1.805 0 40 DDAB O[C@H](CN1CCC[C@@H]1Cn1cncn1)c1ccc(F)cc1F 69899655 JHPPNDTYYQPLSJ-IUODEOHRSA-N 308.332 1.754 0 40 DDAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccs1 8735520 QQXYOANVJJPGOK-JTQLQIEISA-N 321.402 1.790 0 40 DDAB C[C@H](NC(=O)N1C[C@@H]2CC=CC[C@H]2C1)C(=O)N1CCCCC1 83995730 ZKICDCVPXJKYOH-KKUMJFAQSA-N 305.422 1.995 0 40 DDAB O=C(c1cc(Br)c[nH]1)N1CCC[C@H](n2cncn2)C1 72272353 BIUQHMRPIQDGTH-JTQLQIEISA-N 324.182 1.846 0 40 DDAB CCc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)o1 95415486 HXEMTFPVWXVXGM-HUUCEWRRSA-N 312.435 1.193 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)Cc1c(Cl)cccc1Cl 88374289 LBSKZISBADZGNA-NSHDSACASA-N 318.156 1.848 0 40 DDAB Cn1cnc2cc(C(=O)NS(=O)(=O)c3ccsc3)ccc21 95991800 UYTRINLUWDZXQF-UHFFFAOYSA-N 321.383 1.754 0 40 DDAB CCS(=O)(=O)N1CCc2c(cccc2NCc2ncc[nH]2)C1 95971942 MYLAPLFIJROQIM-UHFFFAOYSA-N 320.418 1.730 0 40 DDAB CN(C)[C@H](CNC(=O)N1CCC(C(N)=O)CC1)c1cccs1 89312219 DVYPTTKEWLDONF-GFCCVEGCSA-N 324.450 1.258 0 40 DDAB COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1nnc(C2CC2)s1 75092453 YLINZLOBSBEONI-DTWKUNHWSA-N 310.379 1.879 0 40 DDAB Cc1nc(S)sc1CC(=O)NCc1csc(=O)[nH]1 89507341 HBQMLNPJTYHTKO-UHFFFAOYSA-N 301.418 1.349 0 40 DDAB CC(C)CN(CCN(C)C)C(=O)c1[nH]ncc1Br 76019566 GRFUFZUWGCYQNT-UHFFFAOYSA-N 317.231 1.832 0 40 DDAB CCOC(=O)Cc1nc(CCNc2cccc(OC)c2)n[nH]1 62719260 DACKLINMWZMAMN-UHFFFAOYSA-N 304.350 1.574 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)no1 55211048 IHDNPODVYGVNCS-UHFFFAOYSA-N 300.362 1.744 0 40 DDAB O=C(CCc1ccccc1)Nc1cnc(N2CCOCC2)nc1 65225041 ZWANBFVKGNYCHH-UHFFFAOYSA-N 312.373 1.885 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)NC[C@@H]1CCCO1 521396421 WJOGCACRXBSRAJ-VOAKCMCISA-N 310.394 1.537 0 40 DDAB CN(C)C(=O)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1 306128480 HBGBYGHEYYQQBW-OAHLLOKOSA-N 315.377 1.361 0 40 DDAB Cn1nccc1-c1nnc(NC(=O)COc2ccccc2F)o1 38488061 BQDJPZSORRMHAM-UHFFFAOYSA-N 317.280 1.627 0 40 DDAB COc1cc(C=O)ccc1OCC(=O)Nc1nnc(C)s1 408600280 YBILXRKJIYUWQK-UHFFFAOYSA-N 307.331 1.685 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2nc3c(s2)CCC3)co1 72404678 KRSPFLDKFBKFQB-UHFFFAOYSA-N 306.343 1.911 0 40 DDAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 222745673 FVPNTMOHKSBIIF-XJKSGUPXSA-N 304.390 1.719 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCCN(C)C)O2 40808687 JGXCQAORMLULHO-INIZCTEOSA-N 305.378 1.153 0 40 DDAB CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C)NS(C)(=O)=O 81407999 GBXSEFSUCQRALH-BXUZGUMPSA-N 310.419 1.460 0 40 DDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn1 225459601 XAEQOCVFFRTDGV-LBPRGKRZSA-N 314.345 1.157 0 40 DDAB Cc1nnc(CNC(=O)c2ccc(OCC(=O)C3CC3)cc2)o1 49027516 BXJHWSDGAMBCQK-UHFFFAOYSA-N 315.329 1.666 0 40 DDAB O=C([C@H]1CCOC1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96161719 IFFCQRWDOMWIBZ-HRCADAONSA-N 318.392 1.752 0 40 DDAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)nn1 96184867 SWCGKBURZGNMRS-LSDHHAIUSA-N 309.373 1.673 0 40 DDAB Cc1noc([C@@H](C)NC(=O)COc2ccccc2)c1C(=O)O 96297015 LVMIYHCHGHWSLZ-SNVBAGLBSA-N 304.302 1.937 0 40 DDAB biogenic,in-vitro O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)N1CCCC1 96044384 ZPUACYOYMJKURY-AWEZNQCLSA-N 304.394 1.712 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2C1 96161810 OVQMGGJISZZEMI-RWMBFGLXSA-N 307.419 1.183 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)Nc2cccc([S@](C)=O)c2)C1 96426108 VQLTYAZPHJJTJI-JEOXALJRSA-N 316.448 1.813 0 40 DDAB O=C(c1cscn1)N1CCn2nnc(COCC3CC3)c2C1 96084277 MXHBQCLKCOKYDM-UHFFFAOYSA-N 319.390 1.317 0 40 DDAB NC(=O)c1cccc(CCNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 96439720 JAXHVZIZNITYDD-HZPDHXFCSA-N 313.401 1.936 0 40 DDAB O=C(O)CN1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96083225 SGBXTFDWKFCVRM-ZOBUZTSGSA-N 302.374 1.174 0 40 DDAB CCCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 243260707 KSWAMHUSBWUZHB-UHFFFAOYSA-N 312.435 1.986 0 40 DDAB CC(=O)N[C@H]1CCN(C(=O)CCc2ccc(F)cc2)CC[C@@H]1O 257276589 NUKHSCMPHGXRTJ-HOTGVXAUSA-N 322.380 1.246 0 40 DDAB CN1C[C@@H]2COCCN2C2(C1)CN(Cc1ccccc1F)C2 604381637 IMHMTODMLJJACO-OAHLLOKOSA-N 305.397 1.026 0 40 DDAB biogenic,in-vitro Oc1nc(C2CCN([C@@H]3COC[C@H]3O)CC2)cc2ccccc12 257298385 RLKPRAWXWOIAMP-IAGOWNOFSA-N 314.385 1.880 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3ccncc3)C2)n1 257233295 GOQVGUGNYNLWCJ-HNNXBMFYSA-N 300.362 1.495 0 40 DDAB Cc1noc(CCNS(=O)(=O)C2=Cc3ccccc3CC2)n1 64345066 GLRIIWQORZAQEU-UHFFFAOYSA-N 319.386 1.827 0 40 DDAB CN(C)c1cccc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257223155 DWDNQBOIOHFEAP-HNNXBMFYSA-N 318.421 1.143 0 40 DDAB CN(Cc1ncc(-c2ccccc2C(=O)O)s1)C(=O)CN 257320144 VVOCYJQLBXDGLS-UHFFFAOYSA-N 305.359 1.425 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257285315 PGOPRPMXITWLMP-HOTGVXAUSA-N 315.373 1.465 0 40 DDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](N)c3ccccc3)[C@H]2C1 253369555 DYHYNHMNIUWZFW-UGUYLWEFSA-N 304.390 1.481 0 40 DDAB O=C(COc1cccc2cccnc12)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257237820 HIHZOUASEBXZFR-PBFPGSCMSA-N 316.357 1.004 0 40 DDAB Cc1cncc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257263310 LPGKBBJLEMPTKS-OAHLLOKOSA-N 324.450 1.346 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2sc(C)nc2C)n1 257258712 KVEXKMPLTOPIHU-LBPRGKRZSA-N 320.418 1.934 0 40 DDAB CN(C)CC(=O)N1CCC(c2cnc(-c3ncc[nH]3)cn2)CC1 257256924 KNKLQFVOKAVKRC-UHFFFAOYSA-N 314.393 1.134 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 252501359 UFCANNNQWMIBGR-QMMMGPOBSA-N 316.283 1.830 0 40 DDAB O=C(CC1CCCC1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257318782 VPIMLQJCZPRDKQ-JFIYKMOQSA-N 324.465 1.687 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)c3nccn3C)CCO2)n1 257298278 RLAIZBSDAKEIDJ-GFCCVEGCSA-N 301.350 1.071 0 40 DDAB CC1(CNc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)COC1 286410563 HVYPSBISCVEORS-HNNXBMFYSA-N 317.433 1.832 0 40 DDAB O=C(Cc1cccs1)N1CC[C@H](Oc2ncc(F)cn2)C1 390828452 QYCGOMDWZXCAMT-NSHDSACASA-N 307.350 1.900 0 40 DDAB O=C(Cc1cnc[nH]1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585276449 KDSMOUNRGZGFEZ-HOTGVXAUSA-N 317.364 1.686 0 40 DDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cn[nH]c3)[C@H]2O)cc1 585286495 YYGFYRAXZJEZDK-DAXOMENPSA-N 315.373 1.666 0 40 DDAB CN(C(=O)c1ccc2ccccc2c1)[C@@H]1COC[C@@H](O)[C@H]1O 585287354 YNEVGLNUDZWDSJ-OAGGEKHMSA-N 301.342 1.032 0 40 DDAB CN(C)C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCO1 69818749 FWRZWNYVHJQIIS-MRXNPFEDSA-N 317.433 1.228 0 40 DDAB C[C@H]1C[C@H]2NC(=O)C[C@H]2[C@@H]1CNS(=O)(=O)c1ccccc1 1775964452 XAXFWYOIPFUFQZ-SCUASFONSA-N 308.403 1.126 0 40 DDAB biogenic,in-vitro Cc1nnc(C2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)s1 49365704 LHIQCZFFNHBDJG-ZDUSSCGKSA-N 324.450 1.321 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Br)cn1 61873931 KBRYHNPZPTWYRD-UHFFFAOYSA-N 309.167 1.850 0 40 DDAB CN(C)[C@H](C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 62090893 HBTRQJAHXBOEMG-HNNXBMFYSA-N 304.390 1.655 0 40 DDAB CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccn2c(O)nnc12 548403861 LVEOETVTYVJXRQ-GFCCVEGCSA-N 317.393 1.285 0 40 DDAB O=C(Cn1cncn1)N1CCC(c2ccc3cccnc3n2)CC1 655266069 WLHGQTLTZHGATQ-UHFFFAOYSA-N 322.372 1.628 0 40 DDAB O[C@H]1CCN(Cc2ccccn2)CCCCCCCOC[C@H]1O 1615161982 RLWWSRAXOWOICN-ZWKOTPCHSA-N 322.449 1.976 0 40 DDAB O[C@H](COCCOCCN1CCCCC1)CN1CCCCC1 5375545 RVSRIHKYGCDURP-KRWDZBQOSA-N 314.470 1.352 0 40 DDAB O=C(Cn1nc(-c2cccnc2)oc1=O)N1CCCCCC1 12115868 MBVJUEIGOJTWBL-UHFFFAOYSA-N 302.334 1.301 0 40 DDAB Cc1nc(C)n([C@H](C)CNC(=O)[C@H]2OCOc3ccccc32)n1 12195382 TUEAUHCFPLPXST-BMIGLBTASA-N 316.361 1.680 0 40 DDAB CCn1ccnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 13693643 IYMPOXPNWUEOKI-UHFFFAOYSA-N 314.389 1.874 0 40 DDAB Cc1ccc(-n2nnnc2-c2c[nH]c(=O)nc2C(F)(F)F)cc1 16311460 IAAGTZXZHHCVJK-UHFFFAOYSA-N 322.250 1.740 0 40 DDAB CCN(CC)CCNC(=O)c1c(O)[nH]c2ccccc2c1=O 19228989 BBDMJLATSUUTQI-UHFFFAOYSA-N 303.362 1.305 0 40 DDAB c1cc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)ccn1 19405253 NCZQWMJSJHDACI-MRXNPFEDSA-N 321.388 1.795 0 40 DDAB CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cc(C)no2)n1 19522543 ZDZXLBKCRBJOJJ-LLVKDONJSA-N 302.334 1.606 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 169355700 CFAKMWKKUOCHFS-MROQNXINSA-N 311.378 1.747 0 40 DDAB C[C@]1(c2cccs2)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O 158045520 OBOJWHWGVOAJNS-QUBYGPBYSA-N 308.281 1.438 0 40 DDAB CCCNC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 5088103 NHAITDVMAWEIKR-UHFFFAOYSA-N 324.182 1.629 0 40 DDAB O=C(COc1ccc(F)cc1)N[C@H]1CCN(C2CCOCC2)C1 1888843576 BSORTTJBHLUGMI-AWEZNQCLSA-N 322.380 1.574 0 40 DDAB Cc1cc(N2CCN(Cc3cccnc3)CC2)nc(N(C)C)n1 1889102962 RCQYKRXYKNNPCV-UHFFFAOYSA-N 312.421 1.568 0 40 DDAB COc1nn(C)cc1C(=O)N1CCc2nc3ncccc3cc2C1 1890099089 JTWZYBQXSDPCBP-UHFFFAOYSA-N 323.356 1.570 0 40 DDAB Cc1cc(C)cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 24777161 XCYMWIISQIWJFO-UHFFFAOYSA-N 310.419 1.411 0 40 DDAB CN1C[C@@]2(CCN(C(=O)Cc3ccccc3F)C2)COCC1=O 2037985382 IBQMNMXTFSQZQX-QGZVFWFLSA-N 320.364 1.076 0 40 DDAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccn(C)c1 95448725 JBWVGGHLPOJMAH-KBPBESRZSA-N 309.410 1.749 0 40 DDAB CC(C)N1CCO[C@@H]2CN(C(=O)CC3(O)CCC3)CC[C@@H]2C1 1565546174 VEEZRULPXMLKLZ-HUUCEWRRSA-N 310.438 1.249 0 40 DDAB O=C(NC1CCC1)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055718022 WBYHESVDWQFBCD-LLVKDONJSA-N 316.405 1.397 0 40 DDAB O=C(NC1CCCC1)c1noc2c1C[C@@H](NC(=O)C1CC1)CC2 2055746196 YBBOQPSHETYJBG-LBPRGKRZSA-N 317.389 1.731 0 40 DDAB COc1cc(C(=O)N2CCC[C@]3(CC2)CN(C)CCO3)on1 2055785308 SGGLUFHILAYAOM-HNNXBMFYSA-N 309.366 1.010 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1Cl 206854545 KPBWNZIFKPMJIM-NSHDSACASA-N 323.736 1.770 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN(CC(F)(F)F)CC1 44448721 QPMCIPPKJKPAMY-UHFFFAOYSA-N 316.279 1.735 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@](C)(O)Cc1ccsc1 618256253 FQCJNMFPCLYBHA-HNNXBMFYSA-N 307.419 1.822 0 40 DDAB COC(=O)CNC(=O)[C@@H](CSC(C)=O)Cc1ccccc1 22047673 ZZQJPPJIRYFBFN-CYBMUJFWSA-N 309.387 1.414 0 40 DDAB in-vitro O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CCN1 30034138 NZTCPIFLLAIVGB-UHFFFAOYSA-N 305.721 1.567 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc12 30805592 RTEFSGUGHJAYIG-SNVBAGLBSA-N 313.361 1.226 0 40 DDAB CCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 148099 YCRIBYKEILFTAU-QMMMGPOBSA-N 307.375 1.541 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 40516209 BNECNOKNHWZSIG-GFCCVEGCSA-N 320.370 1.601 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)CN1CCOCC1 40528183 XDJVTEVFYMRZPY-LBPRGKRZSA-N 316.398 1.133 0 40 DDAB CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 51381742 NLSHXUKNHLZEJE-PBHICJAKSA-N 320.389 1.531 0 40 DDAB Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21 20518681 LKIDHUIANWWGJF-UHFFFAOYSA-N 312.373 1.220 0 40 DDAB NC(=O)c1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCO2)C1 20727044 UZSXKRBCERMROG-LBPRGKRZSA-N 300.362 1.130 0 40 DDAB Cc1cc([C@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)on1 52822065 LAWMYXVENWNYSW-GFCCVEGCSA-N 320.393 1.840 0 40 DDAB O=C1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CCN1 33224990 GUSFCMDJWORZHV-UHFFFAOYSA-N 314.345 1.018 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)NCc1cccnc1 53246361 HRAXWHNFERNLIE-UHFFFAOYSA-N 312.373 1.669 0 40 DDAB CNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 22473925 ADKFVPQDSHFWCA-JTQLQIEISA-N 309.439 1.830 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)Nc1cc(C)n[nH]1 47555435 XAVXOQUEBRRPHJ-UHFFFAOYSA-N 302.334 1.485 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3cc(Cl)cn3C)CC2)no1 54459548 LWPIHVBDDBTJNB-UHFFFAOYSA-N 322.796 1.933 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1C 78901474 UNLJSXPASLJHHK-NSHDSACASA-N 315.377 1.175 0 40 DDAB O=C(N[C@H]1C(=O)NN[C@H]1c1ccccc1Cl)c1ccccc1 1622781 GDBBETJGUUPPOP-UONOGXRCSA-N 315.760 1.814 0 40 DDAB O=S(=O)(NC[C@@H]1CCCO1)c1ccccc1Br 23993601 WOYKRGLOPSDBCM-VIFPVBQESA-N 320.208 1.906 0 40 DDAB O=C1CN(Cc2cccc(C(=O)N3CCCCC3)c2)CCN1 54807761 OSKQNOTZMRWZKH-UHFFFAOYSA-N 301.390 1.245 0 40 DDAB CC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(Cl)cc1 1276001 YBSWYLSPLJXNLL-NWDGAFQWSA-N 303.767 1.481 0 40 DDAB CCOCCNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 55245793 OJTUIWHLNMCPBX-UHFFFAOYSA-N 321.782 1.441 0 40 DDAB CC(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1 1384530 GTFRVQSNLRXMFJ-UHFFFAOYSA-N 315.354 1.940 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)no1 3294630 OPBRGYYWBWWEPR-UHFFFAOYSA-N 304.258 1.507 0 40 DDAB N/C(=C\C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 21945192 ZGZNUQMQQOYRPW-WJDWOHSUSA-N 309.369 1.462 0 40 DDAB C[n+]1ccn(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 57530871 PFUXKMBBEBYQRW-UHFFFAOYSA-O 309.390 1.270 0 40 DDAB CCn1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)nc1C 95453661 NFPCTORPNUIAJO-UHFFFAOYSA-N 308.363 1.111 0 40 DDAB N[C@@H](CCOCC[P@@](=O)(O)CCc1ccccc1)C(=O)O 2087675 YCFBPVMSYXKSGI-ZDUSSCGKSA-N 315.306 1.318 0 40 DDAB biogenic O=C(CCNC(=O)c1n[nH]c2ccccc12)NCc1ccccc1 58295080 SBXXVWSWXCSHSC-UHFFFAOYSA-N 322.368 1.999 0 40 DDAB CCOc1ncccc1CNC(=O)NC[C@H]1CCN(CC)C1 44968876 IJLZPAVRQCMHFR-CYBMUJFWSA-N 306.410 1.621 0 40 DDAB C[C@H](Sc1ncccc1C(=O)N(C)C)C(=O)N1CCCC1 58380087 DLKIPZKWUGLAOA-NSHDSACASA-N 307.419 1.886 0 40 DDAB CCCNC(=O)NC(=O)CN1CCC[C@H]1Cc1ccccc1 12768701 QCAAAXXBPLAMHQ-HNNXBMFYSA-N 303.406 1.929 0 40 DDAB CCCN(Cc1ccc(C)cc1)C(=O)Cn1ccc(=O)[nH]c1=O 36391370 HSZAQHUOLGCPBV-UHFFFAOYSA-N 315.373 1.284 0 40 DDAB Cc1nc2cc3c(cc2n1CC(=O)N1CCCC1)OCCO3 64794984 TUKMHEANDCSSKC-UHFFFAOYSA-N 301.346 1.738 0 40 DDAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1F 29085889 WYAJSMSJGXSDQV-ZIAGYGMSSA-N 303.337 1.944 0 40 DDAB Cc1nnnn1-c1cccc(NCC(=O)N2CCCC[C@@H]2C)c1 29687650 HPDUTKZJCLGINW-LBPRGKRZSA-N 314.393 1.784 0 40 DDAB Cn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O 48396572 LACGIGKNSYIBEW-UHFFFAOYSA-N 313.144 1.922 0 40 DDAB CCN(CC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12)C1CC1 29913698 UXNWEOOLPIVEEQ-UHFFFAOYSA-N 304.350 1.556 0 40 DDAB CCn1cnnc1CNC(=O)N(C)Cc1ccccc1OC 46964870 RPSNTONGBFACPW-UHFFFAOYSA-N 303.366 1.648 0 40 DDAB Cc1ccc(SCC(=O)N(C)CC(=O)N2CCOCC2)cc1 61279520 MPDPBNCUOIVKGO-UHFFFAOYSA-N 322.430 1.404 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 10339073 RCVXOXZXYLFJON-SECBINFHSA-N 312.333 1.014 0 40 DDAB Cc1n[nH]cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007286 FCAPSLRDRXKNBK-UHFFFAOYSA-N 306.269 1.933 0 40 DDAB Cc1cccc2nc(CSCCCNS(C)(=O)=O)cn12 96008428 FABQQSOOSNSIQU-UHFFFAOYSA-N 313.448 1.815 0 40 DDAB COc1ccc(C(=O)N2CCC3(CCC3)C2)cc1-n1cnnn1 96005779 BNSPLCYTCJSACA-UHFFFAOYSA-N 313.361 1.687 0 40 DDAB CCn1cc(C(=O)C(=O)Nc2cccnc2N2CCCC2)cn1 95442519 IQBMSVDNRSPTAY-UHFFFAOYSA-N 313.361 1.720 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@@H](C)C1 28576409 DQHFUSVUXSHUTD-OLZOCXBDSA-N 315.377 1.688 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 95425355 CYYWWRUYMFZIBB-LBPRGKRZSA-N 309.749 1.684 0 40 DDAB Cc1cc(C)nc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 97220653 XASPLEFUQNHYNS-CQSZACIVSA-N 300.362 1.972 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)COc1ccc(C(=O)CC)cc1 5244792 MUXSWPMETXBUHT-GFCCVEGCSA-N 320.389 1.689 0 40 DDAB COC[C@H](O)CN(C)C(=O)NCc1cnn(-c2ccccc2)c1 65417398 YNOSYNPDEOGKPA-OAHLLOKOSA-N 318.377 1.021 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3csc(C)n3)CC2)no1 65550475 POUUIPNMVJXVCH-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB O=C(OCc1ccno1)c1ccc(N2CCCS2(=O)=O)cc1 97514823 MCDULXDAFAJEMM-UHFFFAOYSA-N 322.342 1.572 0 40 DDAB CN(CCc1ccccn1)C(=O)CNC(=O)NCC1CCC1 67059493 DEHBQLCGPXLJQS-UHFFFAOYSA-N 304.394 1.182 0 40 DDAB COc1ccc(NC(=O)c2ccccc2)cc1S(N)(=O)=O 6946924 IOCFPOSSQJLTCJ-UHFFFAOYSA-N 306.343 1.595 0 40 DDAB C[C@H]1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 15340898 ITFIYOZXHGIURC-PHIMTYICSA-N 301.346 1.101 0 40 DDAB CCOc1ccc(CNC(=O)NCC(=O)NC2CC2)cc1F 71879920 DVPMNXNJGKAFFO-UHFFFAOYSA-N 309.341 1.302 0 40 DDAB Cc1ccc(-n2nnc(C(=O)N(C)CC(N)=O)c2C(C)C)cc1 71829188 GMKMWLNUTALDBB-UHFFFAOYSA-N 315.377 1.256 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N3CCCN(C)CC3)CC2=O)cc1 95348860 DHPMUINCMMUCAC-HNNXBMFYSA-N 315.417 1.512 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCn2ncnc21 71826676 RMUGODQQSZFDNR-GWCFXTLKSA-N 300.318 1.243 0 40 DDAB Cc1ccc(NC(=O)Cc2cccs2)cc1S(N)(=O)=O 8009910 ZKHSPHNNTGZIIK-UHFFFAOYSA-N 310.400 1.885 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(Cl)s1 71972645 XYFKRTMHPCPWQD-ZETCQYMHSA-N 306.800 1.360 0 40 DDAB CCOC(=O)CN[C@@](C)(C(=O)OC)c1cc(F)ccc1F 70040733 QCDVBRCTAIMRQM-CQSZACIVSA-N 301.289 1.506 0 40 DDAB Cn1ccc(NS(=O)(=O)c2cccc(Br)c2)n1 16978418 YZBZETSJPKTGHB-UHFFFAOYSA-N 316.180 1.983 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@H]3CCc4ccccc4C3)nn12 69322643 AANISTKJTFALSB-AWEZNQCLSA-N 307.357 1.720 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C[C@@H](C)O1 69475102 WQGXEHCIGNFSIN-UMVBOHGHSA-N 317.389 1.611 0 40 DDAB CCc1nnc2n1CCN(Cc1nnc(-c3occc3C)o1)C2 69485249 SZODCAOTEGGTRX-UHFFFAOYSA-N 314.349 1.808 0 40 DDAB Cc1ncc2c(n1)CN(CCc1nc3ccccc3c(=O)[nH]1)CC2 69521639 KXDGADOLCWNTNZ-UHFFFAOYSA-N 321.384 1.622 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@H](n2ccnc2)C1 69657292 BGYALLWLZLJFDC-HNNXBMFYSA-N 309.373 1.937 0 40 DDAB CC(=O)N[C@H](C(=O)NCC(=O)OCc1ccccc1)C(C)C 17638560 HEMIHUWXWFLKIQ-HNNXBMFYSA-N 306.362 1.007 0 40 DDAB Cc1ncc(Cl)c(C(=O)N2CCC[C@H](n3cncn3)C2)n1 72293124 OTINSECKSBFGSP-JTQLQIEISA-N 306.757 1.507 0 40 DDAB COc1ncccc1CNc1cc(N2CCC[C@@H]2CO)ncn1 72276067 HGCHQGCAQRNUCV-CYBMUJFWSA-N 315.377 1.453 0 40 DDAB CCCN1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9016061 VTUFPGSEQGPLKE-KRWDZBQOSA-N 315.373 1.462 0 40 DDAB C[C@H]1CN(CCCCNc2cn[nH]c(=O)c2Cl)C[C@@H](C)O1 95970985 QNOIQUUNDWQVQA-PHIMTYICSA-N 314.817 1.725 0 40 DDAB CC(C)C[C@H](N[C@H]1CCSC1)C(=O)N1CCC(CO)CC1 95967885 BRIBTGMZJARLOU-GJZGRUSLSA-N 314.495 1.727 0 40 DDAB Cc1noc(CN2CCN(C(=O)N3[C@H](C)CCC[C@H]3C)CC2)n1 95984062 JQMICCVVVYTIDJ-CHWSQXEVSA-N 321.425 1.879 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(C(C)(C)C)n[nH]2)c(=O)[nH]1 75111093 PQQUFAZQMYOGBY-UHFFFAOYSA-N 302.378 1.942 0 40 DDAB CN1CC[C@H](N(C)C(=O)c2cccc(N3CCCC3=O)c2)C1=O 75143123 STDGPPGRJQBYGX-AWEZNQCLSA-N 315.373 1.116 0 40 DDAB CC(C)OCc1cccc(NC(=O)NCCc2nc(N)no2)c1 75109886 REACSXDLZOTDSD-UHFFFAOYSA-N 319.365 1.941 0 40 DDAB O=C(CN(Cc1cccc(O)c1)CC1CC1)N1CCOCC1 89780629 ZUBIESJSFNIKHG-UHFFFAOYSA-N 304.390 1.463 0 40 DDAB CO[C@@H]1CCN(C(=O)c2cnoc2C)[C@H]1Cc1cnn(C)c1 306123986 BCHCMCYZOBETPY-UONOGXRCSA-N 304.350 1.189 0 40 DDAB C[C@H]1CN(CN2C(=O)C3(OCCO3)c3ccccc32)C[C@H](C)O1 39380665 UVRVMWSEQBJYAL-STQMWFEESA-N 318.373 1.300 0 40 DDAB CNC(=O)CSc1nnc(COc2cccc(C)c2)n1C 35290883 IDTGSQGSDHWUHO-UHFFFAOYSA-N 306.391 1.541 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 560408033 KFKHXNITSNYDSS-KBUPBQIOSA-N 316.405 1.634 0 40 DDAB CCn1nccc1C1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 566540083 FBSYEEKYJWISJX-MCMMXHMISA-N 324.450 1.313 0 40 DDAB CC(C)N1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1 73334165 XMGGEVAMGBWHQG-UHFFFAOYSA-N 318.421 1.140 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1c1ncccn1 72324098 OZWWHRWVWYYTEU-CYBMUJFWSA-N 324.340 1.267 0 40 DDAB COc1ccc(C(=O)N2C(=O)CN(C)C(=O)c3ccccc32)cc1 40385907 ZMCKSTZCSUFABH-UHFFFAOYSA-N 324.336 1.954 0 40 DDAB C[C@]1(CNC(=O)c2cncc(C3CCNCC3)n2)CCCO1 72365722 TUROHQADRGYFOG-MRXNPFEDSA-N 304.394 1.243 0 40 DDAB CN1CCN(c2ccc(N[C@H]3CCS(=O)(=O)C3)cc2)CC1 40177460 LFBXPCNHWOICLV-AWEZNQCLSA-N 309.435 1.037 0 40 DDAB CCS[C@@H]1CCCC[C@H]1NCc1cc(=O)n(C)c(=O)n1C 195577397 QMTZQQPSNVDVJM-CHWSQXEVSA-N 311.451 1.238 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 83627214 IJPQESCCIXDUKB-YMTOWFKASA-N 314.382 1.115 0 40 DDAB COc1ccccc1-n1ncc(C(=O)Nc2nncn2C)c1C 194834209 KWGIRIPJHFBNJG-UHFFFAOYSA-N 312.333 1.570 0 40 DDAB Nc1ccccc1-n1ccc2nc(N3CCCC3)ncc2c1=O 40175423 TVMRQNVFHMYDSY-UHFFFAOYSA-N 307.357 1.963 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@@H]2O1)N1CCCC1 96043195 WKJSHPCBPJBKEA-BBWFWOEESA-N 322.449 1.515 0 40 DDAB NC(=O)N1CCC2(CC1)CN(C(=O)c1ccccc1)CCO2 96158914 REKDMBSBAOLGFX-UHFFFAOYSA-N 303.362 1.072 0 40 DDAB CN(C)CCOCc1ncn2c1CN(Cc1ccco1)CC2 96085158 IUOOHXJFZIBGCL-UHFFFAOYSA-N 304.394 1.570 0 40 DDAB Cc1nc(C(=O)N2CCNC[C@H]2c2ccncc2)c(C)s1 333274990 LFLWHKAYGHBXFM-ZDUSSCGKSA-N 302.403 1.942 0 40 DDAB C[C@@H](C(=O)N1CCOC[C@H]1c1cccn1C)N1CCSCC1 97379378 KREOUJCJJIPVEJ-ZFWWWQNUSA-N 323.462 1.362 0 40 DDAB O=C(Cc1ccsc1)N1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1 96246460 UEYFABAFOYFGAS-CABCVRRESA-N 306.431 1.612 0 40 DDAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2ccncc2)C3)nc1 247833839 MNYXMCSYQDHIBF-HNNXBMFYSA-N 312.373 1.684 0 40 DDAB CC(=O)N1CCOC[C@@]2(CC(=O)N2Cc2ccc(C)cc2)C1 257255421 KHKMRRSDXJAORE-QGZVFWFLSA-N 302.374 1.345 0 40 DDAB CN(c1ccncn1)C1CC2(CCN(C(=O)c3ncccn3)C2)C1 257338736 YYUAGQUXOHENBH-UHFFFAOYSA-N 324.388 1.398 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(C)nc2O)n1 257291909 QJEYSUBORHOKKQ-GFCCVEGCSA-N 302.334 1.341 0 40 DDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2ncccn2)C3)n1 253478790 NCPLDYHFVINKGL-ZDUSSCGKSA-N 313.361 1.392 0 40 DDAB O=C(O)c1cc(-c2cccc([C@@H]3CNCCO3)n2)ccc1O 257201937 AJSABCUMZIMECE-HNNXBMFYSA-N 300.314 1.813 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257229676 FZCHGKUDSGPKSO-CYBMUJFWSA-N 305.403 1.933 0 40 DDAB CCCn1ccc(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)n1 257243916 IJCKNHXFYWHJTM-ZDUSSCGKSA-N 301.394 1.965 0 40 DDAB CCc1nsc(N2CCCN(C(=O)c3ccn(C)c3)CC2)n1 268634793 FSOPDDDIMZVEPN-UHFFFAOYSA-N 319.434 1.792 0 40 DDAB COc1nn(C)cc1C(=O)NCCCn1ccc2cccnc21 96353443 FRTRODKSFKWFSL-UHFFFAOYSA-N 313.361 1.599 0 40 DDAB CN1c2ccc(NC(=O)c3ccccn3)cc2N(C)S1(=O)=O 390828315 QCYGFFWQRSUURM-UHFFFAOYSA-N 318.358 1.465 0 40 DDAB CC(C)c1ccc(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 575420137 GFYFITLBYSRQNS-LBPRGKRZSA-N 315.416 1.399 0 40 DDAB Cc1cc(F)c(F)cc1C(=O)N1Cc2ccnn2CC[C@@H]1CO 585096716 BAUYYCCBJOSLHG-GFCCVEGCSA-N 321.327 1.877 0 40 DDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1 71185633 YVPCIHDKDCVIAW-AWEZNQCLSA-N 319.405 1.693 0 40 DDAB Cn1ccc(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)n1 72351208 WDCKPBKUEXNHMH-JTQLQIEISA-N 311.349 1.106 0 40 DDAB Cc1cc(CN2CCN(C(=O)NCc3ccco3)CC2)no1 48234303 XKVJZWONXYMGSD-UHFFFAOYSA-N 304.350 1.603 0 40 DDAB CS[C@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 53352117 VFIVJSZSUWQKDG-LLVKDONJSA-N 307.419 1.554 0 40 DDAB COCCCCOC(=O)CCn1nnc2ccccc2c1=O 59892962 XVNBMSGERWSQJE-UHFFFAOYSA-N 305.334 1.151 0 40 DDAB COCCN(C(=O)c1c(F)ccc(C)c1F)[C@@H](C)C(N)=O 97080308 FWVNIQAFUHEBRT-VIFPVBQESA-N 300.305 1.236 0 40 DDAB O=C(NCc1cccs1)N1CC(n2cc(C3CC3)nn2)C1 585393298 AZGABFSCGVOIJA-UHFFFAOYSA-N 303.391 1.984 0 40 DDAB Cc1cc(NCCCN(C)C)n2nc(-c3nccn3C)cc2n1 105743517 XITYZTPEEBJRLM-UHFFFAOYSA-N 313.409 1.802 0 40 DDAB CSCC[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)nc1 1775967180 ACNAELGODGQQAV-SECBINFHSA-N 308.325 1.944 0 40 DDAB CCN(CC)C(=O)Cn1nc(C)n2c(cc3ccsc32)c1=O 12114201 AWWIXGJBCFICKP-UHFFFAOYSA-N 318.402 1.888 0 40 DDAB CCCNC(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 12115346 PTEIYFGWPBHMOS-UHFFFAOYSA-N 318.402 1.854 0 40 DDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCCc2ccccc21 12694453 INUOGWPTZUAYSJ-GJZGRUSLSA-N 324.380 1.917 0 40 DDAB S=C1SCN2CCN3CSC(=S)N(CCN1C2)C3 19366650 IZNGSLXBUAFPEM-UHFFFAOYSA-N 320.534 1.101 0 40 DDAB COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 19795976 YMNCVRSYJBNGLD-KZNAEPCWSA-N 315.369 1.794 0 40 DDAB biogenic,in-vitro C[C@@H]1CCc2nc(NC(=O)CN3C(=O)CCC3=O)sc2C1 4078706 LDXPKRTYCWDRCA-MRVPVSSYSA-N 307.375 1.355 0 40 DDAB CCCCn1c(N)c(N(CC)C(=O)C2CCC2)c(=O)[nH]c1=O 3528694 GHJAGTIBXSPZBP-UHFFFAOYSA-N 308.382 1.072 0 40 DDAB O=C(COC(=O)c1cccc(O)c1)Nc1ccc2c(c1)OCO2 3511690 MCZXVXPOBNZGOL-UHFFFAOYSA-N 315.281 1.916 0 40 DDAB Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(C)c1Br 27981691 IVPYUGSYEIKQFK-JTQLQIEISA-N 316.199 1.558 0 40 DDAB CN1C[C@]2(COCC1=O)CN(Cc1ccc(Cl)cc1)CCO2 2037983702 CPWVVSZGYYSJNC-MRXNPFEDSA-N 324.808 1.400 0 40 DDAB CCn1nccc1C(=O)N1CC2(C[C@@H](NCC3CC3)CS2)C1 2056224554 VEWSXSLZLAXRGK-CYBMUJFWSA-N 320.462 1.603 0 40 DDAB Cn1cc(NC(=O)N2CCC(C(N)=O)CC2)c2ccccc21 5265567 JUKCJBNJRUOOHI-UHFFFAOYSA-N 300.362 1.908 0 40 DDAB Cc1ccc(O)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 40007767 SXTJPXBXOFSGMY-AWEZNQCLSA-N 306.406 1.787 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 30499636 KJTBJVMAFAMURJ-CQSZACIVSA-N 323.418 1.873 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)c1cc(C2CC2)[nH]n1 40541319 HBZBFKGJESILHC-UHFFFAOYSA-N 315.329 1.825 0 40 DDAB CC(C)(C)c1cc(NC(=O)CS(=O)(=O)c2ccccn2)on1 40539960 HEPYWIXBZQTSNH-UHFFFAOYSA-N 323.374 1.780 0 40 DDAB O=C(NCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCCO1 40539903 GDCOCWYFHWSQJE-HNNXBMFYSA-N 300.362 1.851 0 40 DDAB COc1cc2ncnc(N3CCC[C@H](C(=O)O)C3)c2cc1OC 20762489 AWBYEVQSKRPFMX-JTQLQIEISA-N 317.345 1.948 0 40 DDAB biogenic CC(C)Oc1ccccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 101675203 RVRUEGLXMDBXGL-LLVKDONJSA-N 301.306 1.444 0 40 DDAB CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(n2ccnc2)CC1 101866104 UKTBMKFRJNQDOQ-HNNXBMFYSA-N 318.421 1.694 0 40 DDAB CNC(=O)NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1 53111328 SCUFGDGBKQAHKK-UHFFFAOYSA-N 303.284 1.593 0 40 DDAB Cc1noc(C)c1CC(=O)NC[C@@H](C(C)C)N1CCOCC1 41870679 ITBDEIVOSGQHBE-HNNXBMFYSA-N 309.410 1.307 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)cc1OC 42062921 BFNAPFFTNXZUSA-GFCCVEGCSA-N 317.349 1.054 0 40 DDAB COC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 53885612 DUHOZOUDQRRPIZ-GFCCVEGCSA-N 320.364 1.816 0 40 DDAB Cc1nc(C)c2c(C)c(C(=O)N3CC[C@H](C(N)=O)C3)sc2n1 53893776 GLLVMQVKGBBGOJ-JTQLQIEISA-N 318.402 1.564 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1Cl 71288616 LQFAKDZMQHPHJB-WDEREUQCSA-N 324.764 1.995 0 40 DDAB CNC(=O)c1ccc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)cc1 78892436 GVJBQHWEYGAOJP-CQSZACIVSA-N 315.377 1.046 0 40 DDAB CC[C@H](C)[C@H](NC(=O)c1cccc(-c2ncon2)c1)C(N)=O 78965143 SMZYYTIWEHITFO-CABZTGNLSA-N 302.334 1.366 0 40 DDAB C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1cc2ccccc2o1 79355165 DNFHLGDNBVWVBC-LLVKDONJSA-N 322.386 1.934 0 40 DDAB Cc1cc2cn[nH]c2cc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 105388243 JYXHEGNKLQIIHI-UHFFFAOYSA-N 320.330 1.698 0 40 DDAB COc1ccc(OCC(=O)OCC(=O)NCc2ccco2)cc1 3241015 CPABNWDTUCJBOR-UHFFFAOYSA-N 319.313 1.527 0 40 DDAB CN(C)N1C(=O)C[C@@]2(c3ccccc3)C(=O)c3ccccc3[C@]12O 6490386 FMTGCPDYSAPBRS-RTBURBONSA-N 322.364 1.675 0 40 DDAB Cc1cc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)n(C)n1 43434082 HFZCQBDUXAHQDJ-CYBMUJFWSA-N 309.414 1.207 0 40 DDAB COc1cc(OC)cc(C(=O)OCC(=O)NCc2ccco2)c1 3219236 HXNSGXAHWGEWDO-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB CCOCCCNC(=O)c1cccc(NS(C)(=O)=O)c1 10330014 DUPULVGGDLIANB-UHFFFAOYSA-N 300.380 1.215 0 40 DDAB COc1ccc(CC(=O)NCCCN2CCCC2)cc1OC 10450023 YHAHTDDLEHHROY-UHFFFAOYSA-N 306.406 1.848 0 40 DDAB C[C@H](Nc1cccc(COCc2ccco2)c1)C(=O)NC(N)=O 56188649 GJNICLRRXHQXAN-NSHDSACASA-N 317.345 1.992 0 40 DDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 8091909 BAARKNWNZYYLMM-SNVBAGLBSA-N 316.810 1.487 0 40 DDAB Cc1nc(CNC(=O)NCc2nnc3n2CCCCC3)cs1 43779452 KASLTDXDSURPFI-UHFFFAOYSA-N 320.422 1.769 0 40 DDAB C[C@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@H](C)O1 35288620 LGTFJIIJZFUTJO-STQMWFEESA-N 310.419 1.399 0 40 DDAB O=C(CCCn1cnc2ccccc2c1=O)NC[C@H]1CCCO1 27027652 MTZLZOLJYFQWKI-CYBMUJFWSA-N 315.373 1.472 0 40 DDAB C[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc(F)cc1 27348965 HJRFITZNAQEECA-OLZOCXBDSA-N 309.385 1.907 0 40 DDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cccn2)c1 101589478 PZXBKFSDZCVWGF-YHUYYLMFSA-N 323.352 1.598 0 40 DDAB CN(C[C@@H]1CCCN1C(=O)CNC(=O)C1CC1)c1ccccc1 58265951 LQBBGAFRSFLXRI-INIZCTEOSA-N 315.417 1.640 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(CCc2cccs2)CC1 58202100 AXFCCBZZVSRGRT-ZDUSSCGKSA-N 307.463 1.575 0 40 DDAB CS(=O)(=O)Nc1ccccc1CNC(=O)C[C@@H]1CCCO1 44943273 ZVPJANLOARQESB-LBPRGKRZSA-N 312.391 1.243 0 40 DDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccnc1N(C)C 44977788 WPUIAXYDWHOCEL-LLVKDONJSA-N 316.361 1.175 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccnc1N(C)C 44977785 WPUIAXYDWHOCEL-NSHDSACASA-N 316.361 1.175 0 40 DDAB O=C(NCCCNC(=O)c1ccccc1O)c1cccc(O)c1 58332891 BYSIRXHMWDKDCS-UHFFFAOYSA-N 314.341 1.648 0 40 DDAB COc1c(CNCC(=O)NCc2ccco2)c(C(C)C)nn1C 58406110 MZBZDMYFUGAKIO-UHFFFAOYSA-N 320.393 1.551 0 40 DDAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 3378356 SRBBSCZQJOSGLS-UHFFFAOYSA-N 317.389 1.789 0 40 DDAB Cc1ccccc1S(=O)(=O)NC(=O)NN1C[C@@H]2CCC[C@H]2C1 22059954 XLSAYFQNZDWDHT-STQMWFEESA-N 323.418 1.630 0 40 DDAB in-vitro CC(C)C(=O)NCCCN(Cc1cccnc1)S(C)(=O)=O 48355687 KCZPNOODKJSZJB-UHFFFAOYSA-N 313.423 1.006 0 40 DDAB OCCn1ncc2c(NCCN3CCCCCC3)ncnc21 97200397 BPZNKDHQUYGIPW-UHFFFAOYSA-N 304.398 1.107 0 40 DDAB O=C(NCCO)c1cc2c(F)cc(Br)cc2[nH]1 97218307 FPVYBHWSXXFLCN-UHFFFAOYSA-N 301.115 1.792 0 40 DDAB CC(C)CN1CCN(CCn2c(=O)oc3ccccc32)CC1 45736062 GVONMNBPAPAYQS-UHFFFAOYSA-N 303.406 1.868 0 40 DDAB Cc1cc(CS(=O)(=O)CC(=O)N2C[C@@H](C)C[C@H](C)C2)on1 46109598 BEDWDMBJLSUOPS-QWRGUYRKSA-N 314.407 1.402 0 40 DDAB C[C@@H]1COCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 46254983 WOVJMGNKPXHOEJ-OCCSQVGLSA-N 302.374 1.825 0 40 DDAB Cc1cccc(N2C[C@@H](/C(O)=N/S(C)(=O)=O)CC2=O)c1C 48479488 AWAWZGVTFBEVOU-NSHDSACASA-N 310.375 1.572 0 40 DDAB O=C(NCCNc1ncccn1)NC[C@H]1Cc2ccccc2O1 46875954 VRECYIASQREAGQ-CYBMUJFWSA-N 313.361 1.191 0 40 DDAB O=C(CNC(=O)c1ccc2c(c1)CCC2)NC[C@H]1CCC[C@@H]1O 84452004 RVWWKPGQLKJWRU-CVEARBPZSA-N 316.401 1.182 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1ccc(Cl)cc1 48667431 OWNXWOMTNLECFZ-UHFFFAOYSA-N 300.771 1.430 0 40 DDAB CC(C)C[C@@H](NC1CCOCC1)c1nc(-c2nnc[nH]2)no1 95991758 BWHWZIYMYFGNOF-LLVKDONJSA-N 306.370 1.711 0 40 DDAB COC(=O)[C@@H](C)CNC(=O)Nc1cccc(CCOC(C)=O)c1 96013039 ZTMJMCOIUVJWRQ-NSHDSACASA-N 322.361 1.723 0 40 DDAB NC(=O)c1ccccc1OCc1cc(=O)n2ccsc2n1 4341218 RLMJLMKWKIEGDY-UHFFFAOYSA-N 301.327 1.434 0 40 DDAB O=c1c2ccccc2nc2n1Cc1nc3ccccc3c(=O)n1C2 13945816 PBMQZYWPBFMEPQ-UHFFFAOYSA-N 316.320 1.516 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc12 65401533 SFLCLNNXWIFWHX-MFKMUULPSA-N 303.366 1.966 0 40 DDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N1C[C@@H](C)O[C@H](C)C1 14049198 VGBPSWGKIRMFDO-RKDXNWHRSA-N 311.407 1.309 0 40 DDAB CCc1ncc(C(=O)NCCNC(=O)Cc2ccccc2)s1 65568870 YFPLFLYTQXVNDE-UHFFFAOYSA-N 317.414 1.794 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)CCC2 65550155 CABMGLJCGYWBHE-BLLLJJGKSA-N 300.402 1.830 0 40 DDAB CCN(CC)C(=O)CNc1ccc(OC)c(-n2nnnc2C)c1 65566679 GAVZSKPWGRJGFE-UHFFFAOYSA-N 318.381 1.260 0 40 DDAB O=C1CNC(=O)N1CCCN1CCC[C@H]1c1ccc(F)cc1 66420312 WTMNANSOGUJDGL-AWEZNQCLSA-N 305.353 1.905 0 40 DDAB Cn1c(CNC(=O)c2ccc3ccccc3c2)cc(=O)n(C)c1=O 6757755 VJFJUUXMKBCOFJ-UHFFFAOYSA-N 323.352 1.167 0 40 DDAB CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCOCC2)CC1 67801114 VUBQLAOJUWIHGA-UHFFFAOYSA-N 313.398 1.428 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-n1cnnn1 16023182 VBOMVKMDIVUGGU-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB Cn1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 81385163 AINULQRKTJHSFO-CQSZACIVSA-N 312.373 1.085 0 40 DDAB CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(Cn2cncn2)c1 69035203 LQQIHTTUUSAEFZ-HNNXBMFYSA-N 315.377 1.969 0 40 DDAB CCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1 70039393 PYRHMMQOESTPIL-AWEZNQCLSA-N 303.414 1.643 0 40 DDAB COCCn1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)n1 69382774 AFSIJUKVZGACIM-JTQLQIEISA-N 322.390 1.348 0 40 DDAB COc1cc(C2(C(=O)NCC(=O)NC3CC3)CC2)ccc1C 69387726 MBVAYRDNZZCXPR-UHFFFAOYSA-N 302.374 1.430 0 40 DDAB C[C@H]1CN(CCCc2nnnn2-c2ccccc2)C[C@@H](C)O1 69439741 TYJNQVYGBCFECN-OKILXGFUSA-N 301.394 1.704 0 40 DDAB CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 22273406 VTKXVOBUTWOZAO-UHFFFAOYSA-N 324.324 1.608 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69587787 SFJCVMLXNHDFIB-DGCLKSJQSA-N 312.373 1.503 0 40 DDAB CCOc1cccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c1 69658359 AWSBMBPIIVMFKY-CQSZACIVSA-N 305.422 1.451 0 40 DDAB Cc1nnc2ccc(N3CCN(Cc4ccccn4)CC3)nn12 69871017 NSIBHVMDFGRCCQ-UHFFFAOYSA-N 309.377 1.150 0 40 DDAB Cc1cc(F)cc2c(=O)c(C(=O)N[C@@]3(C)CCOC3)c[nH]c12 97032125 FFJYRTFJNRDWHS-INIZCTEOSA-N 304.321 1.884 0 40 DDAB Cc1cc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)on1 97015988 IHMFRUIGFUNEFL-ZDUSSCGKSA-N 302.334 1.741 0 40 DDAB Cc1noc(Cl)c1CCC(=O)N[C@H]1CCc2nccn2C1 72278716 BNCZFRYICMTNIO-JTQLQIEISA-N 308.769 1.897 0 40 DDAB Cc1cnc(CN(C)[C@@H]2CCN(CCCc3cnn(C)c3)C2)o1 84258863 RDRDNUXNFDPUAQ-MRXNPFEDSA-N 317.437 1.855 0 40 DDAB Cc1nc(-c2cc(C(=O)N3CCN(CCO)CC3)co2)cs1 84274939 DIMSXKWCJMFDCY-UHFFFAOYSA-N 321.402 1.462 0 40 DDAB CN(C)C(=O)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 306133765 MVKHCRQWFMXJQR-IHRRRGAJSA-N 305.378 1.479 0 40 DDAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N(C)C)c12 97134581 YFPGCFLVOAPXNI-UHFFFAOYSA-N 303.318 1.654 0 40 DDAB O=C(NCCn1cccc1)N1CCC([C@H](O)C(F)(F)F)CC1 89878805 LPWXUFCXWNFXLV-LBPRGKRZSA-N 319.327 1.833 0 40 DDAB CCOc1cc2c(cc1Cn1cc(C(N)=O)cn1)O[C@@H](C)C2 89991048 VJYIUHHHRSXELS-JTQLQIEISA-N 301.346 1.752 0 40 DDAB COc1ccccc1[C@@H](O)CNC(=O)N[C@@H](C)Cn1cccn1 89904377 QZUPCCDAGZZZLR-JSGCOSHPSA-N 318.377 1.313 0 40 DDAB CCn1c(SCC(=O)NCC(F)(F)F)nnc1C1CC1 61144416 KRHNOIBMPUSQBJ-UHFFFAOYSA-N 308.329 1.946 0 40 DDAB NC(=O)C1CCN(C(=O)CSCc2ccc(F)cc2)CC1 22526503 IQZVOGQQWYMVQH-UHFFFAOYSA-N 310.394 1.783 0 40 DDAB CCOC(=O)C1=CN2CC(I)=CC=C2N1 30678370 WLAXAGCXGJELJX-UHFFFAOYSA-N 318.114 1.470 0 40 DDAB Cn1ncc2c(NCc3nnc(C4CC4)n3C3CC3)ncnc21 189055922 XOEWOIYTPSKDKK-UHFFFAOYSA-N 310.365 1.779 0 40 DDAB O=S(=O)(C1CC1)N1CCN(Cc2nc3ccccc3o2)CC1 528610832 OIZVKLZTNWNKIY-UHFFFAOYSA-N 321.402 1.438 0 40 DDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1cccc(F)c1 72241774 WNOMYFQZIMMJEY-KGLIPLIRSA-N 319.292 1.351 0 40 DDAB CCN(CC)S(=O)(=O)c1cncc(Br)c1NC 72210850 KCQIUTSIBIQYJV-UHFFFAOYSA-N 322.228 1.916 0 40 DDAB CC(C)(C)c1cc(NC(=O)Cn2nc3ccccn3c2=O)on1 78393292 CALWMLLEECIJTB-UHFFFAOYSA-N 315.333 1.420 0 40 DDAB CCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 71486494 HDWWNTBCWWFPMN-UHFFFAOYSA-N 316.357 1.849 0 40 DDAB CCS(=O)(=O)NCCN1CCN(C)c2cc(F)ccc21 72857725 FPOKRRJYWVUWLF-UHFFFAOYSA-N 301.387 1.021 0 40 DDAB CSc1nc(C(=O)Nc2c[nH]ccc2=O)c2ccccn12 63093497 HIEOZGDSUKNHQE-UHFFFAOYSA-N 300.343 1.997 0 40 DDAB CCOc1ccccc1NC(=O)C(=O)NCCc1ccccn1 42646615 DVQNOZVNKTWVPS-UHFFFAOYSA-N 313.357 1.778 0 40 DDAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCCO 222906248 FSGNKFAJLZXBJQ-CYBMUJFWSA-N 324.396 1.842 0 40 DDAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(O)[nH]c2=O)c1 41606013 PFCXZRMMHPNAGD-MRVPVSSYSA-N 306.347 1.298 0 40 DDAB COc1ccc(N2Cc3nc(N(C)C)ncc3C2=O)c(OC)c1 41122959 LPKUKVDAOQWKEF-UHFFFAOYSA-N 314.345 1.720 0 40 DDAB CCCc1noc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 41122407 VICKELYRDDVMME-NSHDSACASA-N 303.366 1.775 0 40 DDAB O=C(O)c1ccc(C(=O)NCCOc2ccc(F)cc2F)nc1 574588102 HSLHUTNOVYVHCF-UHFFFAOYSA-N 322.267 1.867 0 40 DDAB Cc1cccc2c1cnn2CCC(=O)N[C@H]1CCS(=O)(=O)C1 40758351 LVWSCXIXMGFGQO-LBPRGKRZSA-N 321.402 1.038 0 40 DDAB CCN(C)c1ccnc([C@H]2COCCN2C(=O)C2=CCCC2)n1 96217754 VYYHXRQUOAQEQK-CQSZACIVSA-N 316.405 1.943 0 40 DDAB COCCN1CCO[C@@H]2CCN(c3ccc(C)nn3)CC[C@@H]21 96249282 LSNLBUKWRWLQGC-LSDHHAIUSA-N 306.410 1.101 0 40 DDAB CC(=O)N1CCc2c(nnn2CC2CC2)[C@H]1COCC1CC1 96045411 NZSATKQOMGMDTE-OAHLLOKOSA-N 304.394 1.560 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)c1cn(C2CCNCC2)nn1 95349794 MXGFHOWFMNBPAX-LLVKDONJSA-N 319.434 1.625 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CCCN(c3ccc(C)nn3)C2)C1 96217144 ZBMSEDJSUCMMIY-HNNXBMFYSA-N 324.450 1.427 0 40 DDAB Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CCN2c1nncs1 96184889 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COc1ccccc1CC(=O)N1CCOC[C@H]1c1ccn[nH]1 257259242 KXLVPJUBJGZFRY-AWEZNQCLSA-N 301.346 1.561 0 40 DDAB CC(=O)N1CCN(C(=O)C2CCOCC2)[C@H](c2ccccc2)C1 257212679 CEMVVHUVQMPTSG-KRWDZBQOSA-N 316.401 1.845 0 40 DDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2)n1 257280112 OJMCPSKJKPSHRY-CQSZACIVSA-N 311.389 1.733 0 40 DDAB C[C@H](O)C(=O)N1CCN(c2ccnc(C(F)(F)F)c2)CC1 283852510 UCSLMTCGTOADPM-VIFPVBQESA-N 303.284 1.130 0 40 DDAB O=C(Cn1nnc2ccccc21)Nc1cc(-n2cccn2)ncn1 90614199 BQPTUDXOBWGBBO-UHFFFAOYSA-N 320.316 1.046 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1c1ncccn1 585182045 ZADSYWIHRSJXSJ-SNVBAGLBSA-N 307.379 1.335 0 40 DDAB Cc1cccc(CNC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1 26886712 VMOIPNGCZPKCTK-UHFFFAOYSA-N 323.356 1.915 0 40 DDAB CCn1ncc(CN[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)n1 585087127 POSCPHVBCZLHGK-WMLDXEAASA-N 314.437 1.693 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccc(F)cn2)Cc2cn(C)nc21 585110951 GZGLTDJUKWWZBP-GFCCVEGCSA-N 318.352 1.269 0 40 DDAB Cc1nc(C)c(C(=O)OCCNC(=O)c2ccncc2)s1 66517922 DVALSEOKLUVFNH-UHFFFAOYSA-N 305.359 1.742 0 40 DDAB O=C(NCCC1=CCCCC1)C1CN(C(=O)c2cnccn2)C1 70841795 HDIIVSRJEKXGHP-UHFFFAOYSA-N 314.389 1.555 0 40 DDAB O=C(CNC(=O)NC1CC1)NCCN1CCCc2ccccc21 58328124 YHTGMEDNHFYSND-UHFFFAOYSA-N 316.405 1.017 0 40 DDAB O=C(c1ccccc1)c1cccc(NCC(=O)N2CCNC2=O)c1 58344200 NMERXPBPBOOBOD-UHFFFAOYSA-N 323.352 1.881 0 40 DDAB COC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc(N)cc32)N2CCC[C@H]12 54969071 UTIANWNXFPNUBS-WNMQOVRZSA-N 301.346 1.074 0 40 DDAB CC(C)c1noc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 40489663 LCYDNNQEDCYIKF-CYBMUJFWSA-N 322.409 1.264 0 40 DDAB Cn1c(COc2cc(Cl)cc(Cl)c2)cc(=O)n(C)c1=O 40477973 XAQPKQPKMZCIIY-UHFFFAOYSA-N 315.156 1.970 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)c(=O)[nH]1 75119825 DQMLVWLFKPJKGD-UHFFFAOYSA-N 308.341 1.799 0 40 DDAB COCc1ccccc1NC(=O)NC1(CCO)CCOCC1 83914809 HEFURMUUKBIOQF-UHFFFAOYSA-N 308.378 1.886 0 40 DDAB O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1CCSc2c(F)cccc21 97597438 KSRVDMFANAXJNS-NXEZZACHSA-N 323.349 1.077 0 40 DDAB COc1ccc(/C=C2/NC(=S)NC2=O)cc1Br 136536 DPYJIYUXXILYLI-VMPITWQZSA-N 313.176 1.803 0 40 DDAB CC1(C)[C@H]2C[C@@H]3[C@H](C(=O)O)[C@H](C(=O)O)CC[C@@]3(C2)[C@@H]1OC=O 5103437 OKHXQTPTECWEFQ-FERBCYQZSA-N 310.346 1.776 0 40 DDAB CCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)c(C)n1 17031038 FZBNEFOWYHSJCY-UHFFFAOYSA-N 304.322 1.891 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)n1ccnc1 19462096 MMAMSOCZVUQDOI-VHSXEESVSA-N 300.318 1.802 0 40 DDAB c1cc2c(cc1CNC[C@H]1CN(C3CC3)CCO1)OCCO2 106380252 UQOLRQHNWZMQSL-HNNXBMFYSA-N 304.390 1.411 0 40 DDAB CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)ccc1F 521394173 MCTLQGOKXLTPLZ-YGRLFVJLSA-N 312.366 1.957 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2cnn(C3CCCC3)c2)[C@@H]1O 643585361 CBDDPZVGXZFXGO-BMFZPTHFSA-N 309.410 1.110 0 40 DDAB O=C(NC1CN(c2ccccn2)C1)c1cccc(-n2cccn2)c1 1888890680 YHAVFDSLXXYPIC-UHFFFAOYSA-N 319.368 1.886 0 40 DDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)COc1ccc(Cl)cc1 24719715 NGGDOSQMPCETAE-AAEUAGOBSA-N 324.764 1.506 0 40 DDAB N[C@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1 252504225 VINAKOLLBDXUOF-JGVFFNPUSA-N 314.354 1.791 0 40 DDAB CC(=O)N1CCC[C@H](c2nccnc2-c2cnc3ncccn23)C1 2037834896 DWMDLNDRKMLVHU-ZDUSSCGKSA-N 322.372 1.912 0 40 DDAB O=C(c1csnn1)N1C[C@H]2C[C@H]1C[C@@H]2OCc1cccnc1 1565553345 VASANIDHOWRBPR-DYEKYZERSA-N 316.386 1.753 0 40 DDAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1cccn1C 11846578 OUTUOCUDXICADI-AWEZNQCLSA-N 315.373 1.787 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@@H](Nc1ncc(F)cn1)CC2 2055739014 HNSIVOFCUOKBLG-JTQLQIEISA-N 319.340 1.711 0 40 DDAB O=C(Cc1ccsc1)N1CCC(N2C(=O)CSC2=O)CC1 206983260 QZEKCZIFEXACRC-UHFFFAOYSA-N 324.427 1.977 0 40 DDAB CNC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O 36665888 FUXILDLBAWCBCR-UHFFFAOYSA-N 305.382 1.217 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1 43979487 OJTGSJRXWJYGMR-UHFFFAOYSA-N 314.382 1.227 0 40 DDAB C[C@H](C(=O)Nc1ncccc1O)n1nc2c(cc1=O)CCC2 575619922 NDWYKRSQHDBLNM-SECBINFHSA-N 300.318 1.032 0 40 DDAB CC[C@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CCO1 51083914 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O=C(CSc1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 24765802 ZBGREMUYLLGRQA-UHFFFAOYSA-N 300.343 1.982 0 40 DDAB O=c1[nH]ncc(NCc2ccc(-n3cccn3)nc2)c1Cl 25006017 RCQOTQWYJNICDS-UHFFFAOYSA-N 302.725 1.616 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 106809895 VNFXCDFLBWDROW-WXHSDQCUSA-N 323.320 1.815 0 40 DDAB CC[C@H](C)NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 4995992 FINLMNILGATZFL-NSHDSACASA-N 314.407 1.376 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1F 25290147 CDFXWLHBRRDTFN-UHFFFAOYSA-N 315.348 1.987 0 40 DDAB CCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)no1 6359383 NOKGWOKPJMUGOA-UHFFFAOYSA-N 301.755 1.764 0 40 DDAB CCCCSCCOC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 104161978 XBNKGOUYKZYJBP-FIQHERPVSA-N 302.392 1.941 0 40 DDAB CCOC(=O)[C@H](N)[C@@]1(N2CCOCC2)C[C@@H]2CC[C@]1(C)C2(C)C 103635545 SWNZLWUXFFBWHH-ZZCKCESHSA-N 324.465 1.794 0 40 DDAB CNS(=O)(=O)c1ccc(Nc2ncnc3[nH]c(C)nc23)cc1 57279110 YQAONLZOGGGRHY-UHFFFAOYSA-N 318.362 1.313 0 40 DDAB Cc1nccn1-c1ccc(NC(=O)c2ccc(C)n(C)c2=O)cn1 72405948 NLNXFFBCSLPGTP-UHFFFAOYSA-N 323.356 1.835 0 40 DDAB Cc1cnc(CCN(C)C(=O)[C@H](C)N2CCSCC2)s1 95438399 BKXAIVSHZKGZGY-LBPRGKRZSA-N 313.492 1.890 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(Cc2nnc(OCC)s2)C1 58148093 AVTVUWWCSMRNGB-SNVBAGLBSA-N 314.411 1.647 0 40 DDAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)[nH]c(=O)[nH]2)c1 44894476 BUBFWVPNVOZYAH-AWEZNQCLSA-N 301.346 1.409 0 40 DDAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccnc1 44889102 SWKNZHQNFSNHTR-UHFFFAOYSA-N 316.361 1.665 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1 9288363 LLYLMWFCGPKPKM-GHMZBOCLSA-N 308.359 1.008 0 40 DDAB COC(=O)c1cccc2c1CCCN2C(=O)c1cnsn1 58266933 PMTKAMGUZPBXOU-UHFFFAOYSA-N 303.343 1.918 0 40 DDAB CCn1c(=O)n(CC(=O)NCC(F)(F)F)c2ccccc21 9723546 UFHSNRPPQFMUJI-UHFFFAOYSA-N 301.268 1.501 0 40 DDAB CC[C@@H](CO)NC(=O)NCc1ccnc(N2CCCCC2)c1 44966298 UKPZUZUUDAKCNW-AWEZNQCLSA-N 306.410 1.642 0 40 DDAB COC(=O)CCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 58342276 BAIQKWUWDFJVQR-KRWDZBQOSA-N 319.357 1.978 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccsc2)CC1 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CCc1sc(-c2nnc(CN3CCNC(=O)C3)o2)cc1C 12921333 MELZZPWQVJQUJA-UHFFFAOYSA-N 306.391 1.601 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)NCC[S@@](C)=O 95398058 HFPXPQSWNYUHDF-OVWNDWIMSA-N 302.827 1.949 0 40 DDAB CC[C@H](C)[C@@H](O)CNS(=O)(=O)Cc1ccc(F)cc1F 96001976 SAKQTCADXOCMKK-ZANVPECISA-N 307.362 1.791 0 40 DDAB Cc1n[nH]c(=O)c(CNC(=O)CO[C@H]2CCC[C@@H](C)C2)c1C 95396123 XUCWPQFIFMBBKH-MFKMUULPSA-N 307.394 1.598 0 40 DDAB CCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 95395486 LOJJJIMPXRSROW-QWHCGFSZSA-N 303.406 1.917 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)C1 84697542 HOUKKMMRPJYFSY-UONOGXRCSA-N 312.435 1.851 0 40 DDAB CN(C)CCCOC(=O)C[C@@H]1Sc2ccccc2NC1=O 6177026 IWHPHWBUJMERTG-ZDUSSCGKSA-N 308.403 1.984 0 40 DDAB CC[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(C)C 65521251 XIRIPCBLWJKKSG-LLVKDONJSA-N 323.418 1.902 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2CCC[C@@H]2c2nncn2C)cn1 95453367 WKKMSCXEXQGQOB-GFCCVEGCSA-N 324.410 1.118 0 40 DDAB CCOCCO[C@@H](C)C(=O)N(CC(=O)OCC)CC(C)C 65612855 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C[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1cccnc1 67996270 ULJCHFGSBUQCAD-JTQLQIEISA-N 319.311 1.967 0 40 DDAB COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 7813529 BJQBHLLPCHXHSN-OAHLLOKOSA-N 318.373 1.159 0 40 DDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](Nc2ccccc2)C1 71862783 RXJGPSDJGDVBNL-WFASDCNBSA-N 316.405 1.550 0 40 DDAB O=C(CCc1ccncc1)N1CCC[C@@H](N2CCNC2=O)C1 71841675 DLUXARXPVIRXIP-CQSZACIVSA-N 302.378 1.030 0 40 DDAB O=c1c2cccnc2cnn1C[C@@H](O)c1ccc(F)c(F)c1 71921025 CZKFKMOFCPVZDK-CQSZACIVSA-N 303.268 1.803 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)NCCn1cccn1 70004980 XRMAUVPMEXUMPO-QWHCGFSZSA-N 304.398 1.667 0 40 DDAB C[C@H](NCC(=O)NCCc1cccs1)[C@@H](C)n1cccn1 70003970 BONZODNDWZBYTI-QWHCGFSZSA-N 306.435 1.843 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)no1 70157280 GALNMGDSINFOIW-UHFFFAOYSA-N 316.360 1.563 0 40 DDAB Cc1ccc(CC(=O)NS(=O)(=O)C[C@H]2CCCCO2)cc1 69658452 NBAONWWZTQVNCS-CQSZACIVSA-N 311.403 1.553 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(N)=O 69629646 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1.189 0 40 DDAB Cc1cc(Br)ccc1OCC(=O)Nc1nnc[nH]1 21124864 NAXWIDGAAJDPDF-UHFFFAOYSA-N 311.139 1.893 0 40 DDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC(F)(F)F 67201339 GTSHQCCFSSDMAR-NSHDSACASA-N 302.296 1.755 0 40 DDAB CC(C)c1nc2cc(NC(=O)CCn3cnnn3)ccc2n1C 524734720 HJXVTHXFJFOVIW-UHFFFAOYSA-N 313.365 1.712 0 40 DDAB Cc1ncccc1CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 527825419 WRWZTSMTYLSYQP-LBPRGKRZSA-N 314.393 1.878 0 40 DDAB CCOC(=O)CCC(=O)Nc1nnc(-c2csc(C)n2)o1 56907202 CLMXWTCGNMXNPP-UHFFFAOYSA-N 310.335 1.783 0 40 DDAB C[C@H](Cn1nnc2ccccc21)NC(=O)c1cc2ncccn2n1 72324185 ZPMCJBDYLFDBJX-LLVKDONJSA-N 321.344 1.293 0 40 DDAB C[C@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(c2ncccn2)C1 72388707 BRXIYMGBJMHTBP-AWEZNQCLSA-N 321.406 1.161 0 40 DDAB Fc1ccccc1NC1CCN(c2ccc3nnnn3n2)CC1 78370569 SUOCUICMJSZJCH-UHFFFAOYSA-N 313.340 1.739 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 79420008 WAKQQBAFXIZWOA-HNNXBMFYSA-N 319.405 1.451 0 40 DDAB C[C@@H](NS(=O)(=O)N(C)C)c1ccc(-c2cncnc2)cc1 74974788 VDWUXTJCTDKTRP-LLVKDONJSA-N 306.391 1.601 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)C2 72279073 IEDKBJHPAPMBSQ-ILXRZTDVSA-N 321.421 1.597 0 40 DDAB Cc1noc(CCNC(=O)NC[C@](C)(O)C2CCCCC2)n1 188194708 ZDAHAXKHFKLFLY-HNNXBMFYSA-N 310.398 1.551 0 40 DDAB CCC(CC)NS(=O)(=O)c1ccc(CNC(C)=O)s1 36437897 OZTNDACSDDRWDK-UHFFFAOYSA-N 304.437 1.851 0 40 DDAB CC[C@H](NCC1(c2ccc(OC)cc2)CCOCC1)C(N)=O 79029843 MPQIPHPCZZGAKB-HNNXBMFYSA-N 306.406 1.597 0 40 DDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)N1[C@@H](C)CCC[C@@H]1C 79100341 BQSMUFXGLRLKIO-XDQVBPFNSA-N 318.483 1.529 0 40 DDAB Cn1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cn1 72336797 MFAWWFRATNFVMS-UHFFFAOYSA-N 322.372 1.124 0 40 DDAB COc1cc2nc(N3C[C@@H]4C[C@H]3CS4)[nH]c(=N)c2cc1OC 566665683 FBUWERFGCSNRHK-IUCAKERBSA-N 318.402 1.754 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2ccon2)[C@H]1c1ccc(F)cc1 72242242 JKZLWYVHMCZCHJ-BXUZGUMPSA-N 303.293 1.972 0 40 DDAB CCOc1cc(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)ccn1 225521278 HDZCTECOYXAZPW-CYBMUJFWSA-N 314.389 1.933 0 40 DDAB 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POGRYFXSLGRTKR-CYBMUJFWSA-N 318.421 1.726 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257203277 APHQMIYJPGQNIS-OAHLLOKOSA-N 315.377 1.051 0 40 DDAB CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1CO 252516466 SRCWXYIAFWGAIY-HBNTYKKESA-N 305.193 1.568 0 40 DDAB Cc1ccnc([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 257292027 QJQPCBAHWNZXTQ-CYBMUJFWSA-N 322.372 1.546 0 40 DDAB COCc1c(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)noc1C 257263420 LPVZBHRREQPRJE-BBRMVZONSA-N 324.377 1.540 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@@H](C(=O)O)C(C)C)ccc1F 274952547 GNGJAJFFVJNJGQ-LLVKDONJSA-N 303.355 1.769 0 40 DDAB CN1CCCN(C(=O)c2cnc(C(=O)O)cn2)c2ccccc21 574992633 SABICRNWFIDOCK-UHFFFAOYSA-N 312.329 1.662 0 40 DDAB CC(C)C(=O)NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575404990 GEERIUVJIDFADO-CYBMUJFWSA-N 308.422 1.566 0 40 DDAB Cn1cncc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 585269354 QGVCCGANANUEQT-MRXNPFEDSA-N 305.353 1.575 0 40 DDAB NC(=O)c1cnn2c1NC[C@H](CNCCCc1ccccc1)C2 69846569 VERKFLUFYDXJSU-AWEZNQCLSA-N 313.405 1.246 0 40 DDAB 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40 DDAB CCOc1ccc(OCCC(=O)OCC(=O)NC2CC2)cc1 15225338 GSALBOTWNUWMQC-UHFFFAOYSA-N 307.346 1.676 0 40 DDAB COc1cc2c(cc1OC)C(=O)[C@@H](CN1CCOCC1)CC2 19204616 ACRBJSXDXIFWNE-CYBMUJFWSA-N 305.374 1.781 0 40 DDAB O=C(NC1CCCC1)C(=O)N1CCN(c2ccccc2)CC1 10325686 IWTCYYAKFVYJLR-UHFFFAOYSA-N 301.390 1.394 0 40 DDAB O=C1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCN1 2649837 ZDBSOYYPBONTME-UHFFFAOYSA-N 302.161 1.364 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)s1 33192766 CXJVQCANXLHAGZ-SSDOTTSWSA-N 313.766 1.129 0 40 DDAB Cc1csc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@H]3C2)c1 2056224086 CWTKKRHYIIYDNJ-KBPBESRZSA-N 306.431 1.992 0 40 DDAB COc1ccnc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2086929632 HYAQUJUEBFHZLF-LBPRGKRZSA-N 306.410 1.959 0 40 DDAB NC1=N[C@@](O)(c2ccccc2)[C@H](NC(=O)c2ccccc2)S1 523875 ASLFRGULYHGHOP-GDBMZVCRSA-N 313.382 1.649 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccs2)cs1 3218333 BMMQNMVPEKDFMH-UHFFFAOYSA-N 321.383 1.959 0 40 DDAB COc1ccc2oc(=O)c(S(=O)(=O)N3CCCC3)cc2c1 15862181 XJBVKDNLRLKTCL-UHFFFAOYSA-N 309.343 1.586 0 40 DDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3cc[nH]c3)CC2)N1 2055731551 DBJWUGQTHFFQMK-HNNXBMFYSA-N 324.384 1.688 0 40 DDAB O=C(NCc1nc2ccccc2[nH]1)c1cccc(-n2cnnn2)c1 32555894 XKGHFSMUBHNWMV-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc4ccccc4n3)CC2)N1 40033850 MLQDAYRAZKMHFM-UHFFFAOYSA-N 324.340 1.049 0 40 DDAB Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 40105842 CMGSTGNAVUUHEK-CYBMUJFWSA-N 314.389 1.826 0 40 DDAB Cc1cccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 40472886 XXBCFJVQPYCYFB-UHFFFAOYSA-N 319.386 1.609 0 40 DDAB Cc1ccc(N(Cc2n[nH]c(=S)n2C)S(C)(=O)=O)cc1 20416446 VMFHVWYXTIRPEE-UHFFFAOYSA-N 312.420 1.752 0 40 DDAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)s1 40506156 RVTGZHGCANMMKV-ZETCQYMHSA-N 307.297 1.801 0 40 DDAB CC1=NNC(=O)[C@@H]1CCNC(=O)COc1c(C)cccc1C 101128373 DGSIUEDELPBWLC-CYBMUJFWSA-N 303.362 1.310 0 40 DDAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H](C(N)=O)C1 41130861 FCGQPUCWAFPLPF-JTQLQIEISA-N 319.386 1.588 0 40 DDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CCn1ccccc1=O 102580773 PZSBLMAIIGHTIZ-KRWDZBQOSA-N 323.352 1.846 0 40 DDAB COc1ccc(CN(C)C(=O)CCn2cncn2)cc1OC 41947561 ZMBRTGZMMHQVPJ-UHFFFAOYSA-N 304.350 1.344 0 40 DDAB CN(C)[C@H](CNC(=O)c1ccc(O)nn1)c1ccccc1Cl 22619757 OICQYFOMKZBNPK-CYBMUJFWSA-N 320.780 1.868 0 40 DDAB CN(C)c1ccc(CNc2ncc(C(N)=O)cc2Cl)cn1 54058154 VTTMBOSKAOGYHZ-UHFFFAOYSA-N 305.769 1.907 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)c2ccco2)c(O)c1 23041557 PBWJMAJVMLPTRM-UHFFFAOYSA-N 304.302 1.154 0 40 DDAB CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 23081746 ATALXDFGIDGVKR-GFCCVEGCSA-N 316.409 1.501 0 40 DDAB CC(C)OCc1ccccc1CNC(=O)CCSCC(N)=O 23102324 ZWDQBUNEQGQEDN-UHFFFAOYSA-N 324.446 1.836 0 40 DDAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCN1CCOCC1 117630 KZACKMNUBBKNTK-OLZOCXBDSA-N 312.797 1.226 0 40 DDAB CC(=O)N1CCN(C(=O)c2sccc2Br)CC1 47698119 UDYLHJMBGVIRJF-UHFFFAOYSA-N 317.208 1.815 0 40 DDAB Cc1n[nH]c([C@@H]2CN(CCC(=O)NC3CCCCC3)CCO2)n1 78892368 OSCIXVYAPCFWTH-AWEZNQCLSA-N 321.425 1.325 0 40 DDAB C[C@@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1N(C)C 78897133 BYCVEAHMPWZUIT-HIFRSBDPSA-N 317.437 1.102 0 40 DDAB NC(=O)CCNS(=O)(=O)c1cc2cc(Cl)ccc2s1 79047944 VUPIALMRKWNAJK-UHFFFAOYSA-N 318.807 1.708 0 40 DDAB CN(C)C1(CNC(=O)CCc2nc3ncccc3[nH]2)CCCC1 79477495 NAYQTRSGPRFLJS-UHFFFAOYSA-N 315.421 1.881 0 40 DDAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@@H]1CCCO1 43060553 RQXUBWLQBHYJSP-ZDUSSCGKSA-N 302.330 1.848 0 40 DDAB CCOC(=O)C(=O)N[C@@H]1CC=CC[C@H]1c1ccc2c(c1)OCO2 1711688 IJDUZLOVTWEQOA-QWHCGFSZSA-N 317.341 1.897 0 40 DDAB C[C@@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)O 2130573 AQZNEHQVNGIDJG-SNVBAGLBSA-N 302.371 1.661 0 40 DDAB biogenic CCN(C)CCNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 106575863 IENOZARTUUIRJG-ZBFHGGJFSA-N 317.433 1.664 0 40 DDAB Cn1c(C(=O)OCC(=O)NC[C@H]2CCCO2)cc2sccc21 4411434 UHBOOEUXWJWBLJ-SNVBAGLBSA-N 322.386 1.692 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 6537090 BZKKUONTSPCGHK-MKHNBGRSSA-N 320.370 1.699 0 40 DDAB C[C@@H](NC(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1 56328670 XBFGUGKNCQKLAV-LLVKDONJSA-N 311.407 1.925 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CSC(C)(C)N1C=O 1786725 ILYOTNJRUHYBJK-MNOVXSKESA-N 316.423 1.000 0 40 DDAB biogenic Cn1cccc1C(=O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O 27275692 CSXHBELNGDHDMV-UHFFFAOYSA-N 317.345 1.331 0 40 DDAB CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)O)cn23)C1 101911213 ZDOSVNUNNPJPDS-SNVBAGLBSA-N 317.349 1.335 0 40 DDAB CN(C(=O)c1cn(C)c2ccccc12)[C@H]1CCS(=O)(=O)C1 44873189 QPIXTSISHSPRQD-NSHDSACASA-N 306.387 1.437 0 40 DDAB CNC(=O)C1(NS(=O)(=O)c2ccc(C)c(F)c2)CCCC1 58265728 YWMGITHVXSHWPV-UHFFFAOYSA-N 314.382 1.471 0 40 DDAB COc1ccc([C@@H](CNC(=O)Nc2nncs2)N(C)C)cc1 44935450 UZNSGFUSLAYMGD-GFCCVEGCSA-N 321.406 1.971 0 40 DDAB O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 58330747 LCUIMRLCIHMXMW-UHFFFAOYSA-N 322.430 1.614 0 40 DDAB C[C@H]1CN(CC(=O)Nc2ccnn2Cc2cccs2)CCO1 25756439 ZSBAZIVKLDPLPU-LBPRGKRZSA-N 320.418 1.652 0 40 DDAB CN(C(=O)C(=O)c1cnn(C)c1)C1C2CC3CC(C2)CC1C3 58379175 XBMBNMGZNHKTDT-UHFFFAOYSA-N 301.390 1.886 0 40 DDAB CON(C)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58355910 YHIJIEWXFLYPLE-UHFFFAOYSA-N 301.364 1.269 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@H](C)O[C@H](C)C1 28655705 XDMQFOIKLCOPRH-DTORHVGOSA-N 305.334 1.084 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 29192314 JMRKVEWNUZBPNE-GFCCVEGCSA-N 321.402 1.322 0 40 DDAB CN(C)CCCNc1c(NC[C@H]2C[C@@H]3C=C[C@H]2C3)c(=O)c1=O 101676163 RYXJDOGPEZIOET-FRRDWIJNSA-N 303.406 1.270 0 40 DDAB CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O 102969867 OCNSNABHIFCIMW-SECBINFHSA-N 310.103 1.097 0 40 DDAB CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C(=O)NC)n1 2809451 MQKXMRRTUZYOPZ-NXEZZACHSA-N 322.365 1.092 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)N[C@H]2CCCC[C@H]2O)c1 58159861 GYNXFJULNVIQLM-QWHCGFSZSA-N 316.365 1.302 0 40 DDAB COC(=O)c1cc(CNc2cn[nH]c(=O)c2Cl)ccc1OC 12683340 QBULQKKRGPCNJR-UHFFFAOYSA-N 323.736 1.831 0 40 DDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCc3cccs3)C2)C1=O 89914260 SFKQYWVWCCSJEV-LRDDRELGSA-N 321.446 1.943 0 40 DDAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NC(N)=O 3521886 JZQKPTAHOOYVBE-QMMMGPOBSA-N 305.363 1.158 0 40 DDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CC1 9135246 USTXHJJHSSBANL-ZDUSSCGKSA-N 301.346 1.166 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)N1CCC[C@H](CO)C1 65440308 UPTSGPGYPAOCHD-LBPRGKRZSA-N 322.361 1.208 0 40 DDAB CC(=O)NCCNC(=O)c1cnc(-c2ccccc2F)s1 65402278 SAHDDMFEACBMDD-UHFFFAOYSA-N 307.350 1.815 0 40 DDAB CCSc1nnc(SCC(=O)N2CCNC2=O)s1 5450333 ZDZJAAQYQSHYIO-UHFFFAOYSA-N 304.422 1.294 0 40 DDAB CC[C@@H]1CCc2sc(C(=O)OCC(=O)NC(N)=O)cc2C1 5561056 FYEHBTPBGOZUHK-MRVPVSSYSA-N 310.375 1.615 0 40 DDAB C[C@@H]1CN(c2ccccc2NC(=O)c2n[nH]c(O)n2)C[C@@H](C)O1 80399689 ZKUJPKADMQWWFI-NXEZZACHSA-N 317.349 1.376 0 40 DDAB O=C(c1cn[nH]n1)N1CCN(CCSc2ccccc2)CC1 71819888 UHNCBZHJEMWHOH-UHFFFAOYSA-N 317.418 1.355 0 40 DDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-n2cnnc2)cc1 16401088 GWAIWLVTDDIBOQ-UHFFFAOYSA-N 320.312 1.689 0 40 DDAB CC(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1 8021770 ZTSBIMVXCLBHMA-GFCCVEGCSA-N 310.400 1.794 0 40 DDAB CCCCN1CCC(NS(=O)(=O)c2cncc(F)c2)CC1 68902358 MHOPPLNWDCFNLI-UHFFFAOYSA-N 315.414 1.764 0 40 DDAB Cc1cnn(CCNCC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 70008366 CWHJUQCOVMPBEJ-JKSUJKDBSA-N 304.438 1.962 0 40 DDAB CCc1ncc2c(n1)CN([C@@H](C)C(=O)Nc1cc(C)on1)CC2 70038589 WVDYTPFQSJOJNK-NSHDSACASA-N 315.377 1.721 0 40 DDAB CC(=O)N1CCC(CN2CCO[C@H](Cn3cc(C)cn3)C2)CC1 69491227 LKMRYDNRXJKJRA-KRWDZBQOSA-N 320.437 1.151 0 40 DDAB Cc1cc(C)c2cc(C(=O)N3CCOC[C@@H]3C(N)=O)[nH]c2c1 91780040 FSSWZLGKKCSUOG-CQSZACIVSA-N 301.346 1.111 0 40 DDAB CNC(=O)NC(=O)CN1CCC(OCc2ccc(F)cc2)CC1 91885843 LHILOYLUACZYIL-UHFFFAOYSA-N 323.368 1.262 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 69877517 SGJBLUOYRXZGKF-HUUCEWRRSA-N 306.406 1.117 0 40 DDAB CCCn1c(S[C@@H](C)C(=O)NCc2ccccc2)n[nH]c1=O 9739985 SASPLSWETNLZTG-NSHDSACASA-N 320.418 1.778 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc(C(C)C)s2)C1 97051701 MNNIBRFKTMETPT-LBPRGKRZSA-N 317.480 1.780 0 40 DDAB Cc1cc(-n2c(C)cc(C(=O)NC[C@H](C)C(=O)O)c2C)no1 97018678 MDARKELZHUZMIY-QMMMGPOBSA-N 305.334 1.841 0 40 DDAB Cc1ccc(OCCNC(=O)C2=NN(C)C(=O)CC2)c(C)c1 9051425 UWJMROXWSKAVLI-UHFFFAOYSA-N 303.362 1.407 0 40 DDAB COc1ccnc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)c1 72286453 MUODZAUNOAVMED-LLVKDONJSA-N 302.334 1.801 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)n1 72235352 VWYTUVPWRRCXSH-ZDUSSCGKSA-N 302.382 1.414 0 40 DDAB COC(=O)CN1CCC(N[C@@H]2CCOc3ccccc32)CC1 97162184 LXMWMHYCUSWBJT-OAHLLOKOSA-N 304.390 1.737 0 40 DDAB CCn1cc(N[C@H](C)C(=O)NC(=O)NCc2ccccc2)cn1 97139825 GXMRSLBFDKPLCK-GFCCVEGCSA-N 315.377 1.729 0 40 DDAB COC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccco1 97110616 NNOHZIZNMBEEKF-OLZOCXBDSA-N 304.350 1.096 0 40 DDAB CN(C)CCn1ccc(NC(=O)NC[C@@H](O)c2cccs2)n1 72303980 UURRURYSMXWOTO-LLVKDONJSA-N 323.422 1.361 0 40 DDAB Cc1cc(=O)[nH]c(C)c1C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 72312569 ONMHVJCXYXMEFU-MFKMUULPSA-N 320.389 1.843 0 40 DDAB Cn1c(=O)c(Cn2cnc3ccccc3c2=O)nc2ccccc21 97201201 QSZWDGFIDNWXCG-UHFFFAOYSA-N 318.336 1.692 0 40 DDAB O=S(=O)(N[C@H]1CCCC[C@@H]1n1cccn1)c1cccnc1 72728820 ZOEVLQTXUCBUAP-KBPBESRZSA-N 306.391 1.740 0 40 DDAB CN(CCCC(=O)O)C(=O)C1=NN(c2ccccc2)C(=O)CC1 95389879 PYGYTAFKNUKQHJ-UHFFFAOYSA-N 317.345 1.493 0 40 DDAB O=C(c1ccco1)N1C[C@@H]2c3ccccc3S(=O)(=O)[C@H]2C1 306128529 HCYCWUAUURNCQN-RISCZKNCSA-N 303.339 1.675 0 40 DDAB O=C(c1cnccn1)N1CCC(c2n[nH]c3ncccc23)CC1 72368289 OYHJJAXHICBXKH-UHFFFAOYSA-N 308.345 1.768 0 40 DDAB CCSC1(CNC(=O)CCc2cnn(C)c2)CCOCC1 78142058 SEKZQDMYHWYIFJ-UHFFFAOYSA-N 311.451 1.771 0 40 DDAB CNc1cc2c(nn1)CCN(C(=O)c1cc(F)cc(F)c1)C2 71860116 SCDADKAIGJCAHE-UHFFFAOYSA-N 304.300 1.995 0 40 DDAB CN(C(=O)c1ccccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O 79028575 PXUDDVJPQZUATN-SNVBAGLBSA-N 316.279 1.627 0 40 DDAB Cc1nc(C2CCN(C(=O)CO)CC2)cc(C(F)(F)F)n1 72356744 FTISENYPLDDDJY-UHFFFAOYSA-N 303.284 1.502 0 40 DDAB CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(N(C)C)cc1F 122516409 XIGWLAYYJXYIIX-AWEZNQCLSA-N 307.369 1.632 0 40 DDAB O=C(O)c1c[nH]c(=O)n(-c2ccc(Cl)cc2Cl)c1=O 78401839 MSJDOMKTHWELQJ-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB CCOC(=O)C(F)(F)S(=O)(=O)c1nc2ccccc2[nH]1 217575949 OKKJFAGAIPIJSK-UHFFFAOYSA-N 304.274 1.493 0 40 DDAB O=C(NC1CCOCC1)[C@@H]1CN(c2cccc(Cl)c2)CCO1 72352790 SRCFUDQLPFPRAB-HNNXBMFYSA-N 324.808 1.840 0 40 DDAB CC(C)[C@H](N)C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C 79410062 XBOYFHOOQVVNMU-STQMWFEESA-N 313.442 1.828 0 40 DDAB CC(=O)Nc1nc(C2CN(C(=O)c3ccn(C)n3)C2)cs1 72368516 AQLHKLVJWGBCKV-UHFFFAOYSA-N 305.363 1.075 0 40 DDAB O=C(NC[C@H]1Cc2ccccc2CO1)c1cc2n(n1)CCCO2 225786101 YFIURVKQGRLSAS-CQSZACIVSA-N 313.357 1.537 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1cnccn1 81667348 QCECETWTQLTYPX-UHFFFAOYSA-N 318.421 1.489 0 40 DDAB COCCNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 96192101 CNJKZNAUDMKCSS-UHFFFAOYSA-N 302.330 1.222 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@@H]12 96251864 WZTNHPNSJFQWOQ-HZPDHXFCSA-N 322.430 1.211 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC12CCOCC2 96052105 VVGSCGVNVXQTQS-INIZCTEOSA-N 317.433 1.835 0 40 DDAB COCCN1CCOCC12CCN(C(=O)c1cccs1)CC2 96226172 IIABZQZNCJSJNC-UHFFFAOYSA-N 324.446 1.702 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1 143214619 IFULEBNOBLLOKS-GHMZBOCLSA-N 315.414 1.766 0 40 DDAB OCCOCc1ncn2c1CN(Cc1cccs1)CCC2 96059002 ZEKBRTAFVNDEJV-UHFFFAOYSA-N 307.419 1.859 0 40 DDAB C[C@@H]1C[C@H](NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CN1C 245344192 XZZBGJNNIZOVPK-BZZMCLGOSA-N 303.450 1.304 0 40 DDAB Cc1nn(C)c(F)c1CNCc1cc(C(F)(F)F)nn1C 256054913 YIJDDJMBOMMVRS-UHFFFAOYSA-N 305.279 1.910 0 40 DDAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257273811 NIHOEOSXJBNSIR-YRGRVCCFSA-N 301.745 1.412 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CC[C@](O)(CN2CCCC2)C1 257202169 AKTHDENHKBMWGM-INIZCTEOSA-N 324.446 1.049 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2coc(C)n2)n1 257246866 IWEFMHOQKPZQEE-GFCCVEGCSA-N 317.349 1.337 0 40 DDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(C)n1 257320412 VWRVGBYOIYPIPI-KRWDZBQOSA-N 311.389 1.417 0 40 DDAB Cn1cnc(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 257242757 IDZVQQIHJBGVRR-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(Cc3c[nH]cn3)CCN2C)c1 257317393 VJOTUYZIIURJEU-MRXNPFEDSA-N 313.405 1.258 0 40 DDAB Cc1nsc(C(=O)NCc2nc(-c3ccccc3)no2)n1 96026082 PMSXCJNRVKPDDC-UHFFFAOYSA-N 301.331 1.827 0 40 DDAB Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c1 568201833 GIKJQJALLHEQBM-JTQLQIEISA-N 319.766 1.123 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)CC2CC2)C3)n1 575404023 LGHMYVPNJNJODT-CQSZACIVSA-N 317.389 1.724 0 40 DDAB CCN(Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1O 575420163 GNIJMJZLNOWBTN-STQMWFEESA-N 303.811 1.320 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)on1 585276663 HBFBQZCJLBVBPG-MRXNPFEDSA-N 321.377 1.309 0 40 DDAB O=C(/C=C/c1cnc[nH]1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585289363 QIMZXNJLSQIWOV-RUBBHVMPSA-N 311.385 1.875 0 40 DDAB COC[C@@]1(CC(=O)NCc2ccccc2F)CCCN1C(C)=O 585281425 XILSMHBWGRBYDH-KRWDZBQOSA-N 322.380 1.860 0 40 DDAB Cc1ccc(CC[C@@H](C)NC(=O)N2CC(=O)N(C3CC3)C2)o1 684117445 AOGGXLGFZCTOHZ-LLVKDONJSA-N 305.378 1.883 0 40 DDAB O=S(=O)(Nc1ncn(Cc2cccnc2)n1)c1ccccc1 69581748 BLMMFXJGIGZQBD-UHFFFAOYSA-N 315.358 1.522 0 40 DDAB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1C1CC1 60924697 CJJLZKSPIGNKQU-OAHLLOKOSA-N 310.419 1.747 0 40 DDAB Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c(=O)[nH]1 75118466 HIDQPCLCCMOWPY-CYBMUJFWSA-N 305.403 1.778 0 40 DDAB O=C(CCNC(=O)c1ccco1)N[C@@H](CO)c1ccccc1 95349172 WLACMHRLAXOWCB-ZDUSSCGKSA-N 302.330 1.249 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1cnn(-c2ccccc2)n1 97197705 RJYBNVRALBPKIN-LBPRGKRZSA-N 308.345 1.209 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncc(C)cn2)C1 548662009 CIXVGXWTIRPBFY-HNNXBMFYSA-N 317.418 1.792 0 40 DDAB CS(=O)(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11027462 LSAVTJZDEASEQS-UHFFFAOYSA-N 318.402 1.225 0 40 DDAB CCOCc1nnc(NC(=O)C2Oc3ccccc3O2)s1 12202174 LXDGJPSLCWQAQQ-UHFFFAOYSA-N 307.331 1.811 0 40 DDAB Cn1nnnc1SCc1cc(O)n(-c2ccc(F)cc2)n1 14162647 XHBRIQNENIKXHX-UHFFFAOYSA-N 306.326 1.533 0 40 DDAB O=C(c1ccc(CN2C(=O)CNC2=S)cc1)N1CCCCC1 14171218 ZMICCOSTESCEOV-UHFFFAOYSA-N 317.414 1.529 0 40 DDAB Cc1nn(CC(=O)Nc2nccs2)c(=S)n1-n1cccc1 16777892 FFWPLLQEMHQGKN-UHFFFAOYSA-N 320.403 1.931 0 40 DDAB CCCc1nc2n(n1)[C@H](C(=O)NCc1ccco1)CC(=O)N2 17030909 XJYDOLGIRZXGNS-JTQLQIEISA-N 303.322 1.023 0 40 DDAB CN1CCN(C(=O)N(C)C[C@H]2Cc3ccccc3CO2)CC1 225790031 ZFEJPSXZEIDPEI-MRXNPFEDSA-N 303.406 1.427 0 40 DDAB O=C([C@@H](O)[C@@H](O)/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 253397907 GFAFRFYCGGHOIB-GYVAYELNSA-N 319.357 1.163 0 40 DDAB biogenic,in-vitro C[C@H]1CCc2sc(C(=O)OCC(=O)N3CCNC3=O)cc2C1 5772957 XXBQHEMQFZFIND-VIFPVBQESA-N 322.386 1.582 0 40 DDAB COC[C@@H](C)NC(=O)COc1ccc(C(=O)O)cc1Cl 13034886 HNRBWSINQAXPFQ-MRVPVSSYSA-N 301.726 1.568 0 40 DDAB Cc1cc(C)n2nc(S(=O)(=O)Nc3cccc(F)c3)nc2n1 81537 DPIXJBFABDOFKI-UHFFFAOYSA-N 321.337 1.681 0 40 DDAB CS(=O)(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 43960380 LBCABVZDSCILJH-SNAWJCMRSA-N 312.391 1.081 0 40 DDAB O=C(Cn1c(=O)oc2ccccc21)NCc1cc(C2CC2)ncn1 585361067 YWHPMYMSVVYXIV-UHFFFAOYSA-N 324.340 1.578 0 40 DDAB NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 4341510 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23483609 XJPOGXMLUJSAAG-UHFFFAOYSA-N 316.382 1.832 0 40 DDAB CN(C[C@H]1COc2ccccc2O1)c1ncnc2c1cnn2C 12485704 YMEPYFPYYVSFGC-NSHDSACASA-N 311.345 1.640 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)c1nc(-c2cccnc2)no1 12409256 WKULUEJJGXOIMK-AWEZNQCLSA-N 324.340 1.465 0 40 DDAB CC(C)[C@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)N1CCCCC1 79310302 FUWSTCVZURLDFT-UONOGXRCSA-N 316.467 1.190 0 40 DDAB Cc1ccc(N)cc1NC(=O)CSc1nc(N)cc(N)n1 4212869 OQKLCQCPHWUDQG-UHFFFAOYSA-N 304.379 1.262 0 40 DDAB COc1ccccc1CN(C(=O)[C@H]1CCC(=O)NC1)C1CC1 55678086 GLTBXLBCXZSMDP-LBPRGKRZSA-N 302.374 1.712 0 40 DDAB CCN(C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)c1ccccc1 106868938 CWVGZXSYEQCIHC-RDJZCZTQSA-N 319.449 1.204 0 40 DDAB COC(=O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1 7602251 NJHRIQKUENNCAW-UHFFFAOYSA-N 314.305 1.046 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC(C)C)c(C)c1 7701646 KBVSGDTYTLJRQE-UHFFFAOYSA-N 312.435 1.757 0 40 DDAB O=C(NCc1nnc2n1CCC2)N[C@@H]1CCOc2ccccc21 47866527 KSDCMIJZLHCHHM-GFCCVEGCSA-N 313.361 1.547 0 40 DDAB CCOC(=O)C1=C(CN(Cc2ccco2)C2CC2)NC(=O)NC1 26928443 APYGYXPWXJRPCA-UHFFFAOYSA-N 319.361 1.374 0 40 DDAB Cc1cc(C)n(CC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1 44889437 CEHKMRABGPOEBX-UHFFFAOYSA-N 315.373 1.930 0 40 DDAB O=C(CNCC(F)(F)F)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110660900 GYGGESMYZSDHHR-RWMBFGLXSA-N 319.371 1.471 0 40 DDAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)no1 44975116 URCVKFJKCZGPTM-LBPRGKRZSA-N 322.409 1.190 0 40 DDAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)no1 44916714 IFFJTSFXDZSUGU-LBPRGKRZSA-N 305.378 1.733 0 40 DDAB C[C@H](CO)NC(=O)NCc1ccc(N2CCCCCC2)nc1 44953899 LYXKLPLFJPHJHW-CYBMUJFWSA-N 306.410 1.642 0 40 DDAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1 27849259 ZPBISFDGWINJTL-RISCZKNCSA-N 315.373 1.539 0 40 DDAB CCCCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 2163641 VWLOYGMKIRVTDG-UHFFFAOYSA-N 310.375 1.138 0 40 DDAB CC[C@](C)(NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC 58311902 RQMJHDJRXFHEDG-AWEZNQCLSA-N 313.375 1.509 0 40 DDAB COC(=O)[C@@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 58356357 NBZLAUWVWFROMA-HNNXBMFYSA-N 302.330 1.864 0 40 DDAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCCC(=O)N(C)C 58332662 XCXIFHCGEYEAFE-SECBINFHSA-N 300.305 1.327 0 40 DDAB CCn1nccc1-c1cc(C(=O)O)n2ncc(C(=O)O)c2n1 20605530 IMCHFGIPOLNRAK-UHFFFAOYSA-N 301.262 1.009 0 40 DDAB Nc1nccnc1C(=O)Nc1nnc(/C=C/c2ccco2)s1 95450921 VMFXNCNGBUTCRO-ONEGZZNKSA-N 314.330 1.926 0 40 DDAB Cn1cc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)cn1 11257105 JYIMFKZBJXQNAN-HNNXBMFYSA-N 313.357 1.941 0 40 DDAB CCN(CC)S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 29079677 ABUOHCPGRMJXMX-UHFFFAOYSA-N 300.380 1.434 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1cnn(-c2ccccc2)c1 11562692 XEOSFVMIRKEZJA-AWEZNQCLSA-N 315.377 1.181 0 40 DDAB Cc1ccc2c(N)c(C(=O)NN3CCN(C)CC3)sc2n1 12249680 HXBZFKHDIHSTTN-UHFFFAOYSA-N 305.407 1.079 0 40 DDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@H]1c1ccc(C)o1 12250072 JOSYEWFMRIZJBG-GFCCVEGCSA-N 321.329 1.882 0 40 DDAB CC(C)(C)[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)O 95424665 MUTQTTOIGQRIPP-GWCFXTLKSA-N 304.346 1.728 0 40 DDAB CCc1c(C(=O)N2CCCN(C(C)=O)CC2)[nH]c(C)c1C(C)=O 48297570 PHZNBUVWZDLBPF-UHFFFAOYSA-N 319.405 1.783 0 40 DDAB Cc1cnc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cn1 12727908 CTLMDEMCELSPOX-UHFFFAOYSA-N 314.345 1.413 0 40 DDAB CCN(C(C)=O)c1nc(CN(C)C[C@@H](C)C(=O)OC)cs1 48335964 BATOOPCWBWLUOA-SNVBAGLBSA-N 313.423 1.757 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1 13118095 DNXZZQJSOGXNHD-BXUZGUMPSA-N 310.419 1.903 0 40 DDAB Cn1nnnc1SCc1nc(-c2ccc3c(c2)OCO3)no1 71186299 JEIUKTOVOSDVNW-UHFFFAOYSA-N 318.318 1.281 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)NC(C)(C)C)c1C 9114076 XRYHYIOHBMLOFF-UHFFFAOYSA-N 309.366 1.063 0 40 DDAB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4166091 JBRQLWVBBWJLQN-VOAKCMCISA-N 323.732 1.941 0 40 DDAB O=C(CN1CCC(OC[C@H]2CCCO2)CC1)NCC(F)(F)F 83414796 QMKYQHIXDYIUEN-GFCCVEGCSA-N 324.343 1.325 0 40 DDAB CCc1ccc(O)c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 94015244 HYCDHAIVFCSCJK-CQSZACIVSA-N 302.374 1.838 0 40 DDAB Cc1ccc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1 71863536 LQXUHMKGKPCJIC-UHFFFAOYSA-N 313.361 1.190 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)CCCc2nc(C)no2)c1 71869813 BRFJRQBGTPBYLN-CQSZACIVSA-N 317.393 1.897 0 40 DDAB CCCc1nc(C)c(C(=O)N2CCCN(CC(N)=O)CC2)s1 71829297 BIQAEDJBXSYCEF-UHFFFAOYSA-N 324.450 1.037 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)n1cncn1 71866609 CASGVLXYCHZVRU-KGLIPLIRSA-N 302.382 1.363 0 40 DDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)Cn1cccn1 71878772 RZSHARZMVPDYGA-GJZGRUSLSA-N 303.410 1.431 0 40 DDAB CCOc1ccccc1C(=O)NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 17185962 RZIKJIQGEPUNMZ-VXGBXAGGSA-N 314.341 1.681 0 40 DDAB O=C1OCC[C@H]1NCC1CCN(C[C@H](O)c2ccccc2)CC1 69518171 MOZQQTBKMDBHNQ-SJORKVTESA-N 318.417 1.337 0 40 DDAB CC(C)(C)c1nc(CN[C@@H]2CCCN(c3cccnn3)C2)no1 69738883 MKBCGQRPHLMOGF-GFCCVEGCSA-N 316.409 1.916 0 40 DDAB CN1CCC[C@H](CSc2nnnn2-c2ccc(O)cc2)C1 69978169 UPLJCBVRIOHZPI-NSHDSACASA-N 305.407 1.802 0 40 DDAB CCOCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9614719 IDYFWSFDBMWTFP-ZDUSSCGKSA-N 320.389 1.961 0 40 DDAB CC[S@](=O)CCNC(=O)[C@H]1CCCN1Cc1ccccc1 72283756 IEVXUBRXASKRBR-QVKFZJNVSA-N 308.447 1.536 0 40 DDAB O=C(CCOC[C@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 72234875 WTHBJVJSMZLBQJ-ZIAGYGMSSA-N 308.382 1.027 0 40 DDAB CCONC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 72291616 LBAJNDRZORKTSV-UHFFFAOYSA-N 311.135 1.972 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](n2cncn2)C1 72272360 IEUAUIAZEVKISE-DOMZBBRYSA-N 314.345 1.282 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n[nH]1 72301121 KVVUKPDAPWGWSC-AWEZNQCLSA-N 313.405 1.609 0 40 DDAB O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1cnccn1 84539377 NWFHJIURYNNUJN-OAHLLOKOSA-N 311.341 1.825 0 40 DDAB COC[C@@H](O)CN(C)c1nc2cc(C)nn2c2ccccc12 95369295 ZHYVUIISOQOYSJ-LBPRGKRZSA-N 300.362 1.634 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(C)=O)c2)[C@@H]1OC 95942394 LFNQBOHNPNOYOO-ZNMIVQPWSA-N 321.377 1.959 0 40 DDAB C[C@@H](ONC(N)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 95972265 WTCMEIPINONCAR-GHMZBOCLSA-N 305.378 1.731 0 40 DDAB Cc1ccc(C(=O)NCCN2CCCc3ccccc32)c(=O)[nH]1 75122102 HZFFHVOYEBJOHH-UHFFFAOYSA-N 311.385 1.866 0 40 DDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)NCC2CC2)nn1 75164059 CFWMSAZVDHMJPT-AWEZNQCLSA-N 316.361 1.160 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCCc2cn[nH]c2C)c(=O)[nH]1 75117883 WPILBEDOZZHXKO-UHFFFAOYSA-N 317.393 1.455 0 40 DDAB CCn1cnnc1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75120063 LTOKZAHLZWSAOF-UHFFFAOYSA-N 323.356 1.583 0 40 DDAB CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)CSCC(N)=O 89621528 SBMVVCKBLWSEIB-CYBMUJFWSA-N 308.447 1.979 0 40 DDAB C[C@@H]1CCc2c(C(=O)N[C@H]3CCC(=O)NC3=O)csc2C1 89753499 XVQALKRXPBPSNT-KCJUWKMLSA-N 306.387 1.408 0 40 DDAB CCC[C@H]1CN(C(=O)c2ccon2)CCN1C(=O)c1ccon1 89950022 CRMZUNAKMOBZSY-NSHDSACASA-N 318.333 1.430 0 40 DDAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(C)C[C@@H]2C)c1 89937699 JASKZYHHSZCAON-LJLILKBBSA-N 304.390 1.880 0 40 DDAB C[C@H](C(=O)N(C)[C@@H]1CCC(=O)N(C)C1)n1cnc2ccccc21 557105979 GDXNFLXIGMEJSR-CHWSQXEVSA-N 314.389 1.677 0 40 DDAB CCNC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 521398225 JDRNFSRYVFCFRO-UHFFFAOYSA-N 309.370 1.008 0 40 DDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 409200219 HPCGOKXTTWTQRY-XFFZJAGNSA-N 324.358 1.387 0 40 DDAB CCN1CCO[C@H](C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1 72955953 IKLNAIZOLYZVPN-INIZCTEOSA-N 314.389 1.414 0 40 DDAB CCOC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC 218604068 VDTDCTAXVYYPDW-RDBSUJKOSA-N 301.383 1.460 0 40 DDAB CCOC(=O)N1c2ccccc2S[C@H]2CS(=O)(=O)C[C@H]21 217355868 XLZZRDWIADKFOT-PWSUYJOCSA-N 313.400 1.921 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cnccn2)C1 72364374 XUPCFUYGHRXADY-GFCCVEGCSA-N 321.406 1.087 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1cnn(Cc2ccccc2)c1 188595028 JTVJLTIQLNRUFU-HOTGVXAUSA-N 315.373 1.040 0 40 DDAB Cc1cc(NC(=O)Cc2noc(C(=O)N3CCCCC3)n2)no1 40288130 QVJHWSRWTNUMTM-UHFFFAOYSA-N 319.321 1.173 0 40 DDAB CC(=O)N1CC(N=c2[nH]c(-c3cccnc3)nc3c2CCC3)C1 570462689 JJBZPRLOESFDEF-UHFFFAOYSA-N 309.373 1.092 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1ccc2c(c1)CCC2 40554752 MBKDRBRPWDOYRE-UHFFFAOYSA-N 304.371 1.601 0 40 DDAB CCCOc1ncccc1CNC(=O)NC[C@@H]1COCCO1 63616247 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CN(C)C(=O)CN1CCCN(Cc2ccc(Cl)cc2)CC1 55122187 ZJXFDQBVBASBCN-UHFFFAOYSA-N 309.841 1.936 0 40 DDAB C[C@H](CCc1ccco1)NC(=O)COc1cccc(C(N)=O)c1 55209323 WFNBLIAFECSCSR-GFCCVEGCSA-N 316.357 1.895 0 40 DDAB NC(=O)CCS(=O)(=O)Cc1csc(Cc2ccccc2)n1 55207927 IUKMVGOHTAWMPK-UHFFFAOYSA-N 324.427 1.524 0 40 DDAB CCc1cnc(CCNC(=O)N2CCC[C@H](C(=O)NC)C2)s1 74842012 ZYBZAINEBSGNOU-NSHDSACASA-N 324.450 1.416 0 40 DDAB CCN1CCC(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 57000350 YBPJKJGDVSKPOS-HNNXBMFYSA-N 321.465 1.626 0 40 DDAB Cc1noc(C)c1CN(C)c1cc(N2CCC[C@@H]2CO)ncn1 75128480 BWXQNYZINDBCBB-CYBMUJFWSA-N 317.393 1.679 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 76045261 UVOFTXZVJUZCGQ-LLVKDONJSA-N 307.379 1.021 0 40 DDAB CCCn1cc(NC(=O)c2sccc2-n2cnnn2)cn1 76066764 IXFZPKCPCZIBJM-UHFFFAOYSA-N 303.351 1.583 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)c(Cl)c1 92181608 NJAXTKUXSNTPJT-VHSXEESVSA-N 315.778 1.956 0 40 DDAB COCCNC(=O)N1CCCN(C2CCSCC2)CC1 575605435 FLQFPCXPTLQNRD-UHFFFAOYSA-N 301.456 1.246 0 40 DDAB N=C(CNC(=O)OCc1ccccc1)N1CCC[C@H]1C(=O)O 5065110 ONBJBZOPNRTVRS-LBPRGKRZSA-N 305.334 1.439 0 40 DDAB CN(C)C1(CNC2=NS(=O)(=O)c3ccccc32)CCCCC1 22386709 QULYDFGDSZQIOU-UHFFFAOYSA-N 321.446 1.990 0 40 DDAB O=C(O)Cn1cc(-c2ccc(Br)cc2)ncc1=O 11920668 JEVHJICSXUHQEH-UHFFFAOYSA-N 309.119 1.757 0 40 DDAB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@H](c2cccs2)N1 12346839 AZDMKHCWULQJEM-ZDUSSCGKSA-N 315.354 1.992 0 40 DDAB COc1cc(NC(=O)CSc2nccc(=O)[nH]2)cc(OC)c1 17972097 WZSIELWFZXKLKH-UHFFFAOYSA-N 321.358 1.518 0 40 DDAB O=C1CC[C@@H](NC[C@@H]2CCOC2)[C@H](c2cc(F)cc(F)c2)N1 19291884 ZTRSJHXFURAEJF-JJMVLAAESA-N 310.344 1.911 0 40 DDAB CC(=O)N1CCc2nnc([C@H]3CCCN3C3CCCC3)n2CC1 19708306 AVTZDHRABDGYLW-OAHLLOKOSA-N 317.437 1.762 0 40 DDAB CCOc1ccc(-n2nnnc2CNC(=O)NC(C)(C)C)cc1 9571394 SBLIGKANNYJNGR-UHFFFAOYSA-N 318.381 1.659 0 40 DDAB Cc1cnc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)s1 1889101250 ZQRBEAGCIJCHIF-SNVBAGLBSA-N 301.437 1.502 0 40 DDAB O=C(c1cnc[nH]1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238868431 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YTTWLIAXVCRKJD-AWEZNQCLSA-N 316.357 1.034 0 40 DDAB COc1cccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1 58151747 KOQMDNXALBSGLQ-YBJDMEARSA-N 318.373 1.072 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NC2CCSCC2)cc1 58162170 TZCXYRSGRCMTMG-UHFFFAOYSA-N 314.432 1.220 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@]23CC=CC[C@@]32C[C@H]12 101049057 ZGJFIOANBODQNF-PDWMJMLSSA-N 319.364 1.977 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[C@@H]1CCCO1 27863789 RCOUVCJWFIPCSM-HUBLWGQQSA-N 320.364 1.862 0 40 DDAB CC[C@H](CO)NC[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 27666057 FSGYTNOMFYRJPS-CKMBUZLOSA-N 311.466 1.941 0 40 DDAB COCCN1CC2(CCN(C(=O)c3ccoc3)CC2)CC1=O 108530531 CUAVBINCSDBPQA-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 28325218 FWNVTIFAWMABJQ-PABFRNLHSA-N 320.414 1.730 0 40 DDAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N(C)c1ccccc1 36398636 PTCZECRMYIMISI-UONOGXRCSA-N 315.417 1.638 0 40 DDAB COc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cn1 29738532 KGKZWASVFJOUBH-LBPRGKRZSA-N 313.361 1.735 0 40 DDAB NC(=O)NCc1ccc(C(=O)NCc2ccc(F)cc2)cc1 21555883 RPHCDDDNASUSPO-UHFFFAOYSA-N 301.321 1.924 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@H]1c1nc2ccccc2[nH]1 48130433 NUQJCGRADOXZTE-UONOGXRCSA-N 301.346 1.642 0 40 DDAB COc1ccc(C)cc1/C=C/C(=O)N1CCN(C(C)=O)CC1 48230647 VSBFTUKDRNLRGX-FNORWQNLSA-N 302.374 1.708 0 40 DDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(C)C)C1=O 3462042 PUVYDYCNVZNDBT-KRWDZBQOSA-N 317.389 1.616 0 40 DDAB COCCNC(=O)NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 12945540 DMWOPWYBTHMPNS-ZDUSSCGKSA-N 307.394 1.426 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 13005242 KPFICUZFUYLFER-VXGBXAGGSA-N 318.373 1.650 0 40 DDAB CC[C@H](C[C@H](C)CO)NC(=O)c1cn(Cc2ccccc2)nn1 95443439 OBMNWKWDZKRSIK-DZGCQCFKSA-N 316.405 1.853 0 40 DDAB CN(C)C(C)(C)CNC(=O)Nc1ccc(N2CCOCC2)nc1 65452876 XYXKOVJZDXJSOZ-UHFFFAOYSA-N 321.425 1.380 0 40 DDAB COc1cc2[nH]c(C(=O)NCCN(C)C)cc2c(OC)c1OC 5324290 POQQFMZTYVICKT-UHFFFAOYSA-N 321.377 1.485 0 40 DDAB NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3 5451175 MROUOBANLSGWDD-UHFFFAOYSA-N 314.370 1.332 0 40 DDAB CC(C)(C)OC(=O)N1CCc2c(nnn2CC2CC2)[C@H]1CO 306129666 IJESHFQMVXOEGB-GFCCVEGCSA-N 308.382 1.515 0 40 DDAB COc1ccc(C(=O)N(C)CC(C)(C)C)cc1-n1cnnn1 97081247 PXFJXBPPKQTBSW-UHFFFAOYSA-N 303.366 1.789 0 40 DDAB CC(C)C(=O)N1CC[C@]2(C1)OCc1cnc(NCC3CC3)nc12 306126703 FCSYNHGKECEYQO-QGZVFWFLSA-N 316.405 1.912 0 40 DDAB Nc1nccc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 67641778 SNALNMYKUVPNNN-NWDGAFQWSA-N 314.345 1.142 0 40 DDAB O=C(Nc1ccc(F)cc1F)NC1CCS(=O)(=O)CC1 72270828 ZBZBBOLSCXPARO-UHFFFAOYSA-N 304.318 1.664 0 40 DDAB COc1cccc2c1OCC(C(=O)N[C@H]1CCCN(C)C1)=C2 72280467 HEMWWANOWDEBKU-AWEZNQCLSA-N 302.374 1.681 0 40 DDAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2nncs2)no1 306134349 NKHZUNAKSUNANR-MNOVXSKESA-N 305.363 1.328 0 40 DDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCN(CC(N)=O)CC2)C1(C)C 71829344 PPOHPKRLXJBFEE-HIFRSBDPSA-N 307.438 1.244 0 40 DDAB Cc1nc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)no1 71817238 DCFXJPXZXSGWCI-UHFFFAOYSA-N 300.240 1.879 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O 8234963 FDACGUGQXRYZKW-OCCSQVGLSA-N 302.374 1.459 0 40 DDAB CNC(=O)[C@@H]1CCCN1CC(=O)NCc1cccc(Cl)c1 69458383 GFGJILYBPCWBMH-ZDUSSCGKSA-N 309.797 1.167 0 40 DDAB Cc1cc(NC(=O)CN2CCc3c(ncn3C3CC3)C2)n(C)n1 69452858 XOBVZSMUUYZXBI-UHFFFAOYSA-N 314.393 1.257 0 40 DDAB c1ccc(-n2nnnc2CN2CCC[C@@H](Cn3cncn3)C2)cc1 69630101 WVYKORJMVBTGNN-CQSZACIVSA-N 324.392 1.166 0 40 DDAB COC[C@@H](C)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 69665926 SRKRXWJTWHLCLD-KGLIPLIRSA-N 323.412 1.487 0 40 DDAB CN(C)c1nc2cc(NC(=O)CCN3CCCC3=O)ccc2o1 83855433 AWJFWNRHQIMKQF-UHFFFAOYSA-N 316.361 1.845 0 40 DDAB O=C(Nc1nccs1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641458 LKQGHKXHHDMGMR-LBPRGKRZSA-N 317.370 1.509 0 40 DDAB CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 92374467 MDYAFTCXRNSNSS-ZIAGYGMSSA-N 312.410 1.738 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)n1 72253254 MYYNXSVYDXIOSE-CABCVRRESA-N 322.409 1.254 0 40 DDAB c1cc(CN2CCn3c(nnc3C3CC3)C2)c2c(c1)OCCO2 72268422 GIMUSYOFHRTRQH-UHFFFAOYSA-N 312.373 1.943 0 40 DDAB COCCN(CCOC)c1cc(C(F)(F)F)nc2ncnn12 97466579 SUZIVAARYWPGQO-UHFFFAOYSA-N 319.287 1.242 0 40 DDAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)COC[C@@H]1CCCO1 95396696 TVXPNBOZZWBLOS-UONOGXRCSA-N 309.410 1.610 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)c2ccccc12 95478028 MILHUWPTMBRQRI-CYBMUJFWSA-N 313.401 1.753 0 40 DDAB C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(N)=O)nc1 95980614 ZAPAQFVNTASPSD-SNVBAGLBSA-N 314.345 1.639 0 40 DDAB NC(=O)c1cccc([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)c1 95964052 OBMYJOVRXHAICH-MRXNPFEDSA-N 313.401 1.939 0 40 DDAB COc1cc(F)c(C(=O)N2CCc3[nH]ncc3C2)cc1OC 89420856 KXFCFFMAISTMOV-UHFFFAOYSA-N 305.309 1.765 0 40 DDAB Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)n1C(C)C 89575564 CAPNOVKNNMWCHS-OCCSQVGLSA-N 307.394 1.449 0 40 DDAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCO1 76066774 LOXAAOPWZUXMAO-OAHLLOKOSA-N 303.337 1.849 0 40 DDAB C[C@]1([C@H]2CCCN(Cc3cccc(F)c3F)C2)NC(=O)NC1=O 76059124 QHJWGFASMXDISY-MEDUHNTESA-N 323.343 1.775 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1 76044706 UVDJSJIAGMTCJC-NSHDSACASA-N 318.402 1.877 0 40 DDAB Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)N(C)C)[C@H]2C1 306137597 RAWTUAOFOSHJEU-BFHYXJOUSA-N 323.462 1.775 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)Nc1c[nH]nc1[C@@H]1CCNC1 1549746152 ODOWCPKWZSBDEJ-SNVBAGLBSA-N 306.316 1.946 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 408708108 UWKSDJYJVSRGLL-GDBMZVCRSA-N 317.433 1.507 0 40 DDAB O=C(C1CCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 72347162 RPUFEXWPKBTBKL-UHFFFAOYSA-N 312.373 1.755 0 40 DDAB CN1CCC(c2cccc(C(=O)N3CCC[C@H](O)C3)n2)CC1 72355759 BDSHDIFBIFAGEE-AWEZNQCLSA-N 303.406 1.488 0 40 DDAB CS(=O)(=O)[C@H]1[C@@H](CN)[C@@H]1c1ccc(Br)cc1 218194262 FRHZTYZFDHVSDF-DCAQKATOSA-N 304.209 1.534 0 40 DDAB COc1cc(N)ccc1Sc1nnc(C(F)(F)F)n1N 78406631 FDAKKHMHSVOZPC-UHFFFAOYSA-N 305.285 1.753 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1 79412659 FPBNNERSUMQJAK-JSGCOSHPSA-N 305.378 1.251 0 40 DDAB Cc1ccc(C(=O)N2CCn3nnc(CO)c3C2)c(Cl)c1 567344236 JGCGIRRUOVCJRZ-UHFFFAOYSA-N 306.753 1.388 0 40 DDAB C[C@@]1(C(=O)NC[C@H]2CCCO2)Oc2ccc(Cl)cc2NC1=O 41550116 PBGPEDGMCZJCAJ-BMIGLBTASA-N 324.764 1.725 0 40 DDAB CO[C@H](C)CS(=O)(=O)NCc1ccccc1-n1ccc(C)n1 195424238 ZOFLIZZRYUSEFL-CYBMUJFWSA-N 323.418 1.635 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1c2ccccc2C[C@@H]1C(=O)O 80336769 CASGVVWONVPEQW-WOPDTQHZSA-N 303.314 1.386 0 40 DDAB O=C(NCCS(=O)(=O)CC1CCC1)N1C[C@H]2CCC[C@@H]2C1 97237781 UBKOUVHRPAWFKO-ZIAGYGMSSA-N 314.451 1.643 0 40 DDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(CC1CC1)CC2 96061534 DCXRLJRWBDOYCJ-HNNXBMFYSA-N 302.422 1.610 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96080718 KXSZJWFKLFWZOD-JQWIXIFHSA-N 314.370 1.273 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cccs3)[C@@H]2C1 96207973 RYQNULXWJKGVBH-MJBXVCDLSA-N 324.446 1.556 0 40 DDAB Cn1cc(N2CC[C@H]3CN(Cc4ccccn4)C[C@@H]3C2=O)cn1 96249158 COJKDCRZHCVKCZ-BBRMVZONSA-N 311.389 1.300 0 40 DDAB COC(=O)c1ccc(-c2nnn(Cc3nc(C)c(C)o3)n2)cc1 96424976 MBEUBUIVWYJPFJ-UHFFFAOYSA-N 313.317 1.780 0 40 DDAB CCO[C@H]1COC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96158759 KOLXOWNIIMVMGH-OAHLLOKOSA-N 304.390 1.811 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@@H]3C2)nn1 96066070 YCJXBMUDKAJBTI-RRFJBIMHSA-N 316.405 1.295 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccon2)CCN1CC(F)(F)F 96485890 RTKUEZXQZSDYTR-SECBINFHSA-N 306.288 1.453 0 40 DDAB c1ncc(O[C@@H]2C[C@@H]3CN(Cc4ccsc4)CCN3C2)cn1 96055010 FAEGGLWVNGHJFD-HUUCEWRRSA-N 316.430 1.876 0 40 DDAB COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(C)s2)O1 96055576 OLVPBPANDZFNIO-KFWWJZLASA-N 324.446 1.551 0 40 DDAB CO[C@H]1CCCOC12CCN(C1CCN(C(C)=O)CC1)CC2 257234121 GSFPLGWKMCHOLC-INIZCTEOSA-N 310.438 1.657 0 40 DDAB COc1c(O)cc2c(c1O)[C@@]13CCN[C@@H](C2)[C@H]1CCC(=O)C3 253504295 FFLTYVGPWSBCLC-BWACUDIHSA-N 303.358 1.631 0 40 DDAB biogenic,in-vitro CN1CCCN(C(=O)c2cccnc2-c2cncs2)CC1 257212769 CEWWHIPDNYVBKP-UHFFFAOYSA-N 302.403 1.983 0 40 DDAB CCn1cc(C(=O)N2CCC[C@@H]2c2ccnc(O)n2)c(C)n1 257321259 WAWNDVMQQDGIOV-CYBMUJFWSA-N 301.350 1.684 0 40 DDAB Cc1cc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)nc(C)n1 257262881 LNKMLYKNYCGCAP-INIZCTEOSA-N 312.373 1.631 0 40 DDAB CNCC(=O)N1CCC2(CC1)CO[C@H](Cc1cccc(F)c1)C2 257203923 ASFDZNTYENPVEL-MRXNPFEDSA-N 320.408 1.985 0 40 DDAB O=C(c1ccsc1)N1CCOC[C@H](Cc2ccncn2)C1 257294853 QVZUBFAKCZAWQZ-GFCCVEGCSA-N 303.387 1.869 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](Cc1ccccn1)C2 257229627 FYVDJTMJEHJYGU-CQSZACIVSA-N 310.419 1.455 0 40 DDAB N[C@@H](C(=O)Nc1ccc(-c2ncon2)cc1)C1CCOCC1 261755984 LKLPWJTVRYRDFU-CYBMUJFWSA-N 302.334 1.429 0 40 DDAB c1ccc(O[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)nc1 263621710 BSSXMKWSIIPGBS-OAHLLOKOSA-N 304.390 1.873 0 40 DDAB O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)CC1=O 575623586 OZPWPZAWHFYXBT-UHFFFAOYSA-N 300.192 1.452 0 40 DDAB Cc1snnc1C(=O)N1C[C@@H]2CN(CC(C)C)CCO[C@@H]2C1 585107945 HWVOHYCOACYIIX-QWHCGFSZSA-N 324.450 1.275 0 40 DDAB CC(C)c1nnc2n1CCN(CC(=O)N(C)c1nccs1)C2 69926200 PGLVDMDXSVPFLN-UHFFFAOYSA-N 320.422 1.337 0 40 DDAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1cccnc1 1776009574 JLPRTLYNOIRJFM-UHFFFAOYSA-N 311.370 1.705 0 40 DDAB O[C@H]1CCN(C2CCN(c3nc4cnccc4s3)CC2)C1 1776000689 FWWDTPALSOYYIF-LBPRGKRZSA-N 304.419 1.727 0 40 DDAB O=C([C@@H]1CCc2cccc(O)c21)N1CCN(c2cnccn2)CC1 553271511 XVTSJHONVTYUMJ-CQSZACIVSA-N 324.384 1.561 0 40 DDAB CN(C[C@H](O)COCc1ccccc1)c1ncnc2[nH]ccc12 95395768 PWIWQPXODAFFOA-AWEZNQCLSA-N 312.373 1.972 0 40 DDAB O=C(CN1CCC(O)(c2cccnc2)CC1)NC1CCCCC1 12113221 LOPGESHBXDRLFE-UHFFFAOYSA-N 317.433 1.814 0 40 DDAB O=C(CCn1ccc2ccncc21)N[C@@H]1CCCCNC1=O 19404768 OIVAHXNNTOHNTG-CYBMUJFWSA-N 300.362 1.211 0 40 DDAB C[C@H]1CCCC[C@H]1N1C(=O)CN(NC(=O)c2cccnc2)C1=O 19496151 SRMXLJMVSFNUST-WCQYABFASA-N 316.361 1.569 0 40 DDAB CCc1nc(N2CCCC2)ncc1C(=O)N1CC[C@H](CO)C1 19521511 RIPJDMAPTHULCW-LBPRGKRZSA-N 304.394 1.094 0 40 DDAB O=C(c1cnn(-c2ccc(F)cc2F)c1)N1CCC[C@@H]1CO 154062021 ALMBBHYUFLHNBG-GFCCVEGCSA-N 307.300 1.747 0 40 DDAB CC[C@H]1CN(CCNC(=O)c2cncnc2C2CC2)CCO1 560453346 ALEFYZKXSQJYIX-ZDUSSCGKSA-N 304.394 1.195 0 40 DDAB COC[C@](C)(CNS(=O)(=O)c1ccc(OC)cc1C)OC 575613501 SMBOOMXMVPSSDR-AWEZNQCLSA-N 317.407 1.333 0 40 DDAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1NS(C)(=O)=O 10112881 RPHACBVBCFBMQT-GFCCVEGCSA-N 312.391 1.275 0 40 DDAB O=C(Cn1cccn1)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252527816 DLCBQHYGATYSDP-HDJSIYSDSA-N 300.362 1.785 0 40 DDAB COc1ccc(C(=O)N2CC[C@H]3C[C@]32C(=O)N2CCCC2)cn1 2056225209 IASUNEQBLPYJMM-SUMWQHHRSA-N 315.373 1.317 0 40 DDAB O=S(=O)(c1cccs1)N1CC(OC[C@H]2CCOC2)C1 1565523869 ZERPNPCDMNTXKS-JTQLQIEISA-N 303.405 1.174 0 40 DDAB Cc1ccccc1OCC(=O)NCc1nnnn1-c1ccccc1 10593046 LYORKJPSKFOPMS-UHFFFAOYSA-N 323.356 1.666 0 40 DDAB O=C(NCc1cccs1)c1nc(Cn2cc(Cl)cn2)no1 15082488 XOCMAOVNMYAZNP-UHFFFAOYSA-N 323.765 1.959 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3ccccn3)CC2)cs1 40520793 VNBJIOZEJGBPLL-UHFFFAOYSA-N 302.403 1.805 0 40 DDAB CN(C(=O)C1CCN(c2ncccn2)CC1)c1nccs1 40548553 VXHTXUBIAZMIGZ-UHFFFAOYSA-N 303.391 1.813 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)Cc2ccccc2F)C1 32267769 SOMATZNKCCLPSV-HNNXBMFYSA-N 308.397 1.841 0 40 DDAB CCc1nn2c(=O)cc(CN3C[C@H](C)O[C@H](C)C3)nc2s1 20962110 PBTMTIGWLBWWSG-AOOOYVTPSA-N 308.407 1.323 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 32699764 NKFRMJHGBWQCGR-GXTWGEPZSA-N 310.419 1.330 0 40 DDAB C[C@H]1CC(=O)N(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1=O 102095518 YPMAUMIEXBHBOY-QMMMGPOBSA-N 322.727 1.955 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12 32736735 PZSNADNEVWFPRT-SNVBAGLBSA-N 301.346 1.173 0 40 DDAB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)N(C)C)nn2)n1 21562673 GGVKJSCVYPMGGH-LLVKDONJSA-N 305.407 1.848 0 40 DDAB Cc1ccccc1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32876440 ZPRQWQIBRFWISP-UHFFFAOYSA-N 313.357 1.511 0 40 DDAB C[C@@H]1c2ccsc2CCN1C(=O)CC[C@H]1NC(=O)NC1=O 52568199 GVUXKYRALVYJLV-PSASIEDQSA-N 307.375 1.182 0 40 DDAB C[C@@H](c1nnnn1-c1ccccc1)N1CCC2(CC1)OCCO2 52533042 LJWKVHYXXGDHSP-ZDUSSCGKSA-N 315.377 1.562 0 40 DDAB COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 32912735 BNMRTGQXYGLJBR-KCJUWKMLSA-N 315.778 1.499 0 40 DDAB COc1ccc(C(=O)NCCCCN2CCOCC2)cc1OC 41532323 GWRZBLNFYLXQLT-UHFFFAOYSA-N 322.405 1.546 0 40 DDAB NC(=O)CCN1CCN(Cc2csc3ccccc23)CC1 22783842 QWFWJGZXYNIXPJ-UHFFFAOYSA-N 303.431 1.894 0 40 DDAB Cc1cc(C)n(CCCNC(=O)Cc2c(C)nn(C)c2C)n1 23246833 KSVXVWYUSRSBRR-UHFFFAOYSA-N 303.410 1.599 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cnc2n(c1=O)CCS2 211259 BVZQKOQADSSOGW-UHFFFAOYSA-N 305.334 1.418 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 78888909 MZJDYIKDETYMME-LLVKDONJSA-N 319.365 1.747 0 40 DDAB COc1ccc(-c2ccc(SCC(N)=O)nn2)cc1OC 1332221 CHWHQULACPBRCL-UHFFFAOYSA-N 305.359 1.738 0 40 DDAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 4062090 QKTGECBOBFPOAE-SZMVWBNQSA-N 318.417 1.849 0 40 DDAB biogenic O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 4179821 HNTUQMMOQJZMPX-URBCHYCLSA-N 303.270 1.008 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)n2ccnc2)C[C@@H]1N1CCOCC1 107354670 BDSHWZZAHMBHBU-ZNMIVQPWSA-N 306.410 1.013 0 40 DDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cccnc1Cl 35358136 YKDAEMVKGIFSMO-SNVBAGLBSA-N 303.815 1.498 0 40 DDAB CO[C@@]1(C)C[C@@H](N(C)S(=O)(=O)c2cn(C)c(C)n2)C1(C)C 108352255 ZQVGWIGPNLSWDR-RISCZKNCSA-N 315.439 1.553 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)Cc2ccco2)c1 26881997 ZSGIADQFEUCHMY-LLVKDONJSA-N 323.370 1.976 0 40 DDAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(C(=O)O)c(O)c1 71285034 WLNKMYVRUGGDAU-UHFFFAOYSA-N 315.281 1.970 0 40 DDAB Cc1ccc2nc(C)c(C(=O)NCCCS(N)(=O)=O)cc2c1 58030277 KQUIIMLIRPOBQK-UHFFFAOYSA-N 321.402 1.260 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cc2ccccc2o1 111147163 VLVDVRWVHQQREJ-VXGBXAGGSA-N 303.314 1.835 0 40 DDAB CC1=NN(c2ccc(C(=O)NCCC(=O)N(C)C)cc2)CC1 58193648 HVEHFEAFTGZILM-UHFFFAOYSA-N 302.378 1.481 0 40 DDAB Cc1ccc(OC[C@H](O)Cn2cnc(C)c(C)c2=O)c(C)c1 97238490 CYXDLGZZQJMFAS-OAHLLOKOSA-N 302.374 1.917 0 40 DDAB CCOCCCNC(=O)[C@H]1CSCN1C(=O)[C@@H](C)CC 58393668 WWVWWAQQOBPNTO-NWDGAFQWSA-N 302.440 1.477 0 40 DDAB O=C(CCNC[C@H]1CNc2ccnn2C1)NCc1ccccc1 58313625 ZCBZVINKUDNBCD-HNNXBMFYSA-N 313.405 1.221 0 40 DDAB Cc1cccc(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 58393215 MMXSFXBEUQKGLS-GDBMZVCRSA-N 304.390 1.353 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)NCc1ccc2c(c1)OCO2 27931042 WJIFTSVXYLXYIE-NSHDSACASA-N 312.391 1.624 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1CC(=O)N1CCOCC1 84700053 DLDADEIAXCJSJV-AWEZNQCLSA-N 303.406 1.580 0 40 DDAB C[C@H](OC(=O)c1ccc(SC(F)F)cc1)C(=O)NC(N)=O 10765737 PHAYRAOOPCSXFZ-LURJTMIESA-N 318.301 1.742 0 40 DDAB COC1=N[C@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 101043205 XWNXJJMUULZBPK-LWGJEFJTSA-N 308.337 1.651 0 40 DDAB C[C@H]1Cc2ccccc2N1C(=O)CS(=O)(=O)C[C@@H]1CCCO1 45360167 WJGHSNULFSBODN-JSGCOSHPSA-N 323.414 1.558 0 40 DDAB Cc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1 2503393 ILUMVAAQBCIJFA-UHFFFAOYSA-N 306.372 1.862 0 40 DDAB Cc1cc(CN2CCN(C(=O)NCc3ccoc3)CC2)on1 47088939 QYQUBHNAEVNCGE-UHFFFAOYSA-N 304.350 1.603 0 40 DDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1cccnc1 47330303 RSEFTXISXVMJOQ-UHFFFAOYSA-N 321.340 1.717 0 40 DDAB COc1ccc(CCN2C(=O)[C@H](C(C)C)NC2=S)cc1OC 3261542 INKQEGZHZRPTOF-AWEZNQCLSA-N 322.430 1.988 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)OCc3nnc(C)o3)CC2=O)cc1 12783038 VYKUMQQNWOXYDT-GFCCVEGCSA-N 315.329 1.783 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 3394268 QFRKGCSWJWNFCX-UHFFFAOYSA-N 305.302 1.450 0 40 DDAB O=C(NCC(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 48333967 GIGZAULZJLSENS-UHFFFAOYSA-N 304.346 1.882 0 40 DDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 12984623 ASSYVXKOJBFSMK-GDBMZVCRSA-N 315.417 1.734 0 40 DDAB CCN(CCCNC(=O)NCC1CCCC1)S(C)(=O)=O 49077046 YZNWZDHVQXCRRD-UHFFFAOYSA-N 305.444 1.147 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)CC3)cc12 13425702 WHAIYRGZVMMRCZ-UHFFFAOYSA-N 307.375 1.880 0 40 DDAB Cc1nnc2n1CCN([C@H](C)C(=O)NCCC1=CCCCC1)C2 72252996 BKHQLAQPOCTWGM-CYBMUJFWSA-N 317.437 1.797 0 40 DDAB O=S1(=O)CCN(C[C@H]2CCCO2)c2c(F)nc(F)c(F)c21 13689485 PADAKHPPILEHOU-SSDOTTSWSA-N 322.308 1.272 0 40 DDAB COc1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1OC 65565433 NXWVAXXBZOMRTD-GFCCVEGCSA-N 306.362 1.574 0 40 DDAB O=C(NCCNc1cccnc1)C(=O)N1CCc2ccccc2C1 71615191 BKFUEBXPVAKTAF-UHFFFAOYSA-N 324.384 1.195 0 40 DDAB CCOC(=O)C(NC(=O)c1ccc(F)c(F)c1)C(=O)OCC 14186627 YUZXMAPRBWHJCO-UHFFFAOYSA-N 315.272 1.189 0 40 DDAB O=C(NCC(=O)N1CCCC1)c1ccc(N2CCCC2)nc1 65624694 PZIQWRSLISIFKP-UHFFFAOYSA-N 302.378 1.034 0 40 DDAB CCCNC(=O)NC(=O)CN1CC[C@@H](c2ccc(OC)cc2)C1 65608099 YQBYZDLQLWLMOS-CQSZACIVSA-N 319.405 1.720 0 40 DDAB Cn1ncc2c(N3CCN(CC(F)(F)F)CC3)ncnc21 14290942 MMPQWZZYSKBALG-UHFFFAOYSA-N 300.288 1.048 0 40 DDAB CCOC(=O)c1ccccc1NC(=O)CSc1ncn[nH]1 5737374 VIEHNDBSKXYOLQ-UHFFFAOYSA-N 306.347 1.712 0 40 DDAB COc1c(CN2CCC[C@H](Cc3nccn3C)C2)c(C)nn1C 97139263 ZBSUBKAPMRHOGB-CQSZACIVSA-N 317.437 1.925 0 40 DDAB COc1c(CNC(=O)NCCc2ccncc2C)c(C)nn1C 97142062 DXIXVLZTRXBRFR-UHFFFAOYSA-N 317.393 1.482 0 40 DDAB CCNC(=O)NC(=O)CN1CCO[C@H](c2cccc(F)c2)C1 66849037 HITSAYDWTCMEDP-ZDUSSCGKSA-N 309.341 1.045 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1ncccn1 6913766 FYMHPWDLMXPCST-QWRGUYRKSA-N 308.407 1.973 0 40 DDAB Cc1nnc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)s1 4940002 DMKNBOAGASUZNU-UHFFFAOYSA-N 315.358 1.275 0 40 DDAB c1ccc(N2CCOCC2)c(CN2CCCC3(C2)OCCO3)c1 97139062 NQYIQBRXGFLBPS-UHFFFAOYSA-N 318.417 1.862 0 40 DDAB CCCn1c(SCc2ccc(-n3ccnc3)nc2)n[nH]c1=O 72312941 OEDIDOMRZPTEJM-UHFFFAOYSA-N 316.390 1.854 0 40 DDAB Cc1ccc(C#N)c(N2CCC[C@H](/C(O)=N/S(C)(=O)=O)C2)n1 80250925 LOAPLIXQVHHPJL-LBPRGKRZSA-N 322.390 1.394 0 40 DDAB C[C@H](C(=O)N1CCNC(=O)[C@H]1c1cccs1)n1cccn1 81295486 MSSVCDNQHJFKLS-ZYHUDNBSSA-N 304.375 1.205 0 40 DDAB O=C(NCCO)Nc1ccc(C(=O)NC2CCCCC2)cc1 69184210 MKURAVQGBTVDAO-UHFFFAOYSA-N 305.378 1.863 0 40 DDAB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncnc2[nH]cnc12 71916736 YUHXFUMSWUQUQU-VIFPVBQESA-N 323.316 1.135 0 40 DDAB C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379664 LKCPDAITYWEDCJ-XPQLPGEHSA-N 320.414 1.652 0 40 DDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2Cl)C1 69520313 AAQFRDFHYRPNCA-NSHDSACASA-N 317.842 1.345 0 40 DDAB CC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C 17300100 QFRSHTFVMLMJOV-ZDUSSCGKSA-N 316.398 1.653 0 40 DDAB c1ccc(Cc2noc(CN[C@@H]3CCc4ncnn4C3)n2)cc1 69600291 SJZFWLDOYFPDQM-CYBMUJFWSA-N 310.361 1.357 0 40 DDAB CCS(=O)(=O)N(C)C(=O)c1csc(-c2ccco2)n1 69632985 MDMUREZEBJSYSO-UHFFFAOYSA-N 300.361 1.825 0 40 DDAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)NC[C@@H]1CCCO1 17735910 OQEHNONODDYCKD-NSHDSACASA-N 321.764 1.345 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)c1cnccc1N)CC2 82316798 SAHKUNAOLQEIOF-UHFFFAOYSA-N 313.357 1.880 0 40 DDAB COCCN1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 69813379 SFJBSTJQAZWLPN-INIZCTEOSA-N 305.422 1.080 0 40 DDAB Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](N2CCOCC2)C1 84022981 OXPYMAUSYYFJHM-SMDDNHRTSA-N 307.394 1.328 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCCN(c2cccnn2)C1 69952205 GLLWDSXCDYQCQX-CYBMUJFWSA-N 314.393 1.838 0 40 DDAB CN1CC[C@H](NC(=O)NCCCN(C)c2cccc(F)c2)C1=O 95399473 MBRLDXZPXYKHJL-AWEZNQCLSA-N 322.384 1.182 0 40 DDAB CC1CCC(N2C[C@@H](C(=O)N[C@@H](CCO)C(C)C)CC2=O)CC1 84689310 YSBQHWGQJHTHGI-GRAKBVBRSA-N 324.465 1.937 0 40 DDAB CCOCCN(C[C@H](C)C(=O)O)C(=O)CCOCC(C)C 95424519 QKGABIFAVSHENE-ZDUSSCGKSA-N 303.399 1.635 0 40 DDAB C[C@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@H]1CCOC1 95960268 IZOGUZWJYPYFKF-DOMZBBRYSA-N 312.435 1.392 0 40 DDAB Cc1ccc(-n2nc(NCC(=O)N3CCOCC3)cc2C)cc1 95988306 TXZBKPPOEBINFI-UHFFFAOYSA-N 314.389 1.760 0 40 DDAB Cn1cc(CC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 74734169 PHMBONMYHVYWKL-LBPRGKRZSA-N 306.387 1.024 0 40 DDAB C[C@H](N1CCN(C(=O)NCc2cccn2C)CC1)C(F)(F)F 89598445 NSOVPGXQGPTDOO-NSHDSACASA-N 318.343 1.803 0 40 DDAB Cn1ccnc1N1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 89926283 GYQKWGCHNVLOBE-OAHLLOKOSA-N 320.824 1.929 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C3CC=CC3)CCO2)n1 76046417 IRKPRYHQPAOMTM-LBPRGKRZSA-N 304.394 1.968 0 40 DDAB Cc1ccc(CNC(=O)Cn2cc(C(N)=O)c3ccccc32)nc1 1557179308 CSDXIVXOCGDLGQ-UHFFFAOYSA-N 322.368 1.760 0 40 DDAB CCCCN(CC)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 61315716 SGCRRVRTHZSUGR-UHFFFAOYSA-N 309.410 1.890 0 40 DDAB Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)nc(-c2ccccn2)n1 516862867 NRUNRICKANKDPR-GFCCVEGCSA-N 307.361 1.959 0 40 DDAB c1cnc(N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1 72355574 UGQDSLIZWFTABZ-ZDUSSCGKSA-N 307.361 1.836 0 40 DDAB Cn1c(C(=O)NCCc2ccc(O)cc2)nc2ccccc2c1=O 36369976 YPVIKXYDKRWQLT-UHFFFAOYSA-N 323.352 1.612 0 40 DDAB biogenic CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccnn1CC 32648534 VGUBQTQYIFULPC-UHFFFAOYSA-N 318.381 1.512 0 40 DDAB COc1ccc(Cc2noc(Cn3cncn3)n2)cc1OC 78774595 DNTBEXSUANGUIJ-UHFFFAOYSA-N 301.306 1.317 0 40 DDAB CCC[C@@H](C)NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 225978209 LPRBULPQHYQNAP-GFCCVEGCSA-N 312.435 1.930 0 40 DDAB CN(C[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 63519028 KPRSVTKTSHFNAT-LLVKDONJSA-N 306.428 1.525 0 40 DDAB Cc1cc(N2CCC(NC(=O)c3c(C)noc3C)CC2)n[nH]1 225750799 DKUKLADKPOAMMN-UHFFFAOYSA-N 303.366 1.722 0 40 DDAB CC1(C)CC(NC(=O)C(=O)Nc2cccc(O)c2)CC(C)(C)N1 40284314 DZVDODULAPDQLL-UHFFFAOYSA-N 319.405 1.756 0 40 DDAB Cc1ccnc([C@@H](NS(=O)(=O)c2cccnc2)C2CC2)n1 195562521 CEJGLZYEIJLXMD-ZDUSSCGKSA-N 304.375 1.610 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 574330365 SLXAOOBXQFMGPH-WTFGDDLMSA-N 305.378 1.605 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@H](OC)[C@H]3OCC[C@@H]32)cc1 96217446 WOXQGLSJHGHZTG-UXLLHSPISA-N 305.374 1.643 0 40 DDAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccncn1)C2 96039421 BBLBERXIMHMVAO-GOEBONIOSA-N 305.378 1.524 0 40 DDAB CCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3ccccc3C)C2)C1 96238635 LCGLBOOWBLADHU-INIZCTEOSA-N 322.430 1.774 0 40 DDAB C[C@@H]1CCCN(C(=O)c2cccc(OCc3nnnn3C)c2)C1 96101355 DPESNKPZRIPDQC-GFCCVEGCSA-N 315.377 1.661 0 40 DDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H]2O[C@@H](C)C[C@H]2C1 96066472 NAQDUYTZTXZRKB-TVYUQYBPSA-N 313.423 1.225 0 40 DDAB CN(C)C[C@@H]1CO[C@@]2(COCCN(Cc3cccs3)C2)C1 96051920 AITYZCRPJUQZFC-ZBFHGGJFSA-N 310.463 1.917 0 40 DDAB Cc1oncc1C(=O)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96080688 SLUCMEOSRXDTIX-WFASDCNBSA-N 311.341 1.718 0 40 DDAB CN(C)C(=O)c1n[nH]c2c1CCN(Cc1ccc(F)cc1)C2 96066641 ZPZNIGVUWVSBRC-UHFFFAOYSA-N 302.353 1.809 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(c3ncccn3)CC2)O1 96061185 AIHRWFJDJICBLR-AWEZNQCLSA-N 316.405 1.521 0 40 DDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccoc3)CC[C@@H]21 96249271 KXIXCDJGBOTPFK-HOTGVXAUSA-N 321.421 1.147 0 40 DDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(c1ncccn1)C2 96039514 LHSWCDZUSWIOBT-WBVHZDCISA-N 320.437 1.430 0 40 DDAB CCn1nc(C)c(NC(=O)Nc2ccc(OC)cc2)c1C(N)=O 96182129 VEOKRPJULRVQTJ-UHFFFAOYSA-N 317.349 1.963 0 40 DDAB CN(C)CC(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 247958021 DKCPTFTVJXLZGC-CQSZACIVSA-N 319.405 1.030 0 40 DDAB O=C1NC[C@@H](c2ccccc2)[C@@]12C(=O)NC[C@@H]2c1ccccc1 247953039 UJALMBUUULDXKH-FCEWJHQRSA-N 306.365 1.800 0 40 DDAB CC(=O)NCc1cncc([C@H]2CCCN2Cc2[nH]cnc2C)n1 257276575 NUIQXALDDNTHET-MRXNPFEDSA-N 314.393 1.481 0 40 DDAB Cc1nc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)co1 257342458 ZORWWGMFPFPKSM-BPLDGKMQSA-N 317.345 1.469 0 40 DDAB COCCN1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 257343045 ZRFZLDLJQLUZHZ-CYBMUJFWSA-N 301.394 1.768 0 40 DDAB CN1C(=O)CO[C@@H]2CCN(C(=O)CCc3ccccc3F)C[C@@H]21 257240532 HTZHRTRHZARMRI-LSDHHAIUSA-N 320.364 1.216 0 40 DDAB Cc1nccn1CC(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257233670 GQEHLXNNRDEMGT-UONOGXRCSA-N 304.394 1.051 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccccc2C)[C@H]1O 257302918 SEZVEOBHGOMZFQ-UMVBOHGHSA-N 313.419 1.544 0 40 DDAB O=C(c1ccc2c(c1)CCC2)N1CC[C@@](O)(CN2CCCC2)C1 257336764 YPYIWCNZGHMMAC-LJQANCHMSA-N 314.429 1.848 0 40 DDAB Cc1noc(C)c1[C@H](C)CC(=O)N(C)CCN1CCCC1=O 533123651 SOJLEYWBGHRAMW-LLVKDONJSA-N 307.394 1.866 0 40 DDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-n2cnnn2)c1 378204831 MLWJVRABXROACA-HZPDHXFCSA-N 321.340 1.050 0 40 DDAB C[C@H](C(=O)N1CCC[C@H]1c1ccn[nH]1)N(C)CC(F)(F)F 287215770 VJNVPJUTRVOEME-KOLCDFICSA-N 304.316 1.956 0 40 DDAB CN(C)S(=O)(=O)N1CCC(CSc2nccn2C)CC1 90608232 QQGIBFHLKKIZCX-UHFFFAOYSA-N 318.468 1.031 0 40 DDAB CO[C@H]1CCN(c2ccc(NC(=O)Cn3cccn3)cc2)C1 96122270 BZMDPLJXJLUNOK-HNNXBMFYSA-N 300.362 1.747 0 40 DDAB C[C@H]1CCN(S(=O)(=O)CCN(C)C)[C@H](c2ccco2)C1 390834413 YEVGZRRPICZOLQ-STQMWFEESA-N 300.424 1.944 0 40 DDAB CC(C)N(C)CCNC(=O)c1csc(-c2cnn(C)c2)n1 69413898 PFSOEJKYOASQFC-UHFFFAOYSA-N 307.423 1.614 0 40 DDAB COc1ccc(C(=O)NCc2nc(-c3ccco3)n[nH]2)c(O)c1 69595451 NMKWEXPUGDUJNE-UHFFFAOYSA-N 314.301 1.709 0 40 DDAB C[C@H](C(=O)N1CCCN(Cc2cscn2)CC1)n1cccn1 69773886 XKWUVOIZUHAOBG-CYBMUJFWSA-N 319.434 1.635 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C1 44305579 AMRVWETUAFOTLR-VXGBXAGGSA-N 319.471 1.056 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCN(c3cnccn3)CC2)cn1 51232615 DPDMDVZHNZKULP-UHFFFAOYSA-N 314.393 1.391 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 40025543 UZHSJTIMSRJJAO-BQYQJAHWSA-N 322.430 1.548 0 40 DDAB CC(C)[C@H](O)CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 95981842 WGQLRETVJWZDJB-OAHLLOKOSA-N 316.405 1.619 0 40 DDAB COCCNC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12327214 JRWGLKYHASZWMV-OBZJAWTPSA-N 315.369 1.809 0 40 DDAB C[C@@H]1CCCC[C@H]1N1C(=O)CN(NC(=O)c2cccnc2)C1=O 19496150 SRMXLJMVSFNUST-DGCLKSJQSA-N 316.361 1.569 0 40 DDAB O=C1C=C[C@H]2C=C(S(=O)(=O)NC3CCCCC3)C=C[C@H]2O1 19942722 UJRCFNUNXBCKQU-SMDDNHRTSA-N 309.387 1.790 0 40 DDAB CCOC(=O)[C@@H]1CC[C@H](N)CN1C(=O)OCc1ccccc1 107271362 LFISLALEAICWEB-KBPBESRZSA-N 306.362 1.678 0 40 DDAB CCCCCCC1=C(C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)C1=O 253400128 KRVIGCQLVOTJRS-LBPRGKRZSA-N 324.377 1.361 0 40 DDAB biogenic,in-vitro Cc1noc(C)c1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 3378946 RKZPUGROKURAOV-BXUZGUMPSA-N 310.375 1.789 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)n1 1888835063 LJUUGUHCKSRFFN-HUUCEWRRSA-N 316.405 1.106 0 40 DDAB Cc1cc(C)nc(N2CC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 1888844223 DIEJCAQDJZBTBG-LBPRGKRZSA-N 310.423 1.096 0 40 DDAB Cc1cc(N2CCN(Cc3cnoc3C)CC2)nc(N(C)C)n1 1889090350 MHDVHBSXTLGSRX-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB CN(CCCCC1CCOCC1)C[C@H]1CCS(=O)(=O)C1 252482316 DCVIKTRKIVOJBZ-OAHLLOKOSA-N 303.468 1.950 0 40 DDAB O=C(c1cc[nH]c1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1 1565544091 CXXAMLWMGCJIRG-HIFRSBDPSA-N 323.400 1.817 0 40 DDAB CN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)CC1=O 1565542101 MDZIGWIODKZAQY-UHFFFAOYSA-N 304.365 1.839 0 40 DDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1 41764 BKGDPBHAOMGZKB-UHFFFAOYSA-N 316.338 1.470 0 40 DDAB Cc1cc(C)c2c(S(=O)(=O)N3CCC(C)CC3)n[nH]c2n1 6668321 TZKKMYRWTLHKQR-UHFFFAOYSA-N 308.407 1.995 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N(C)C)cc1 11897896 MWUVLFTWBKCGNK-MRXNPFEDSA-N 321.446 1.915 0 40 DDAB O=C(C1CC1)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 2055824402 NACXNRRADZPGSE-CQSZACIVSA-N 308.407 1.146 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1nccs1)c1cccs1 23106656 HPSDNEHKGPWKSK-VIFPVBQESA-N 324.431 1.562 0 40 DDAB O=c1cc2c(nn1CC1CCN([C@@H]3CC[C@@H]3O)CC1)CCCC2 585500666 NSIJVNIPDUHZMF-SJORKVTESA-N 317.433 1.357 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(C)C)cc1 575616281 JLEUQDORWDZNRA-AWEZNQCLSA-N 316.361 1.519 0 40 DDAB O=S(=O)(c1ccc(-c2nnc(S)o2)cc1)N1CCCC1 6557426 ANEGFVLPLPQBDB-UHFFFAOYSA-N 311.388 1.810 0 40 DDAB O=C(CN1CCOCC1)N1CCN(CC2CCCCC2)CC1 40039013 QBGNJLFSIGMGLX-UHFFFAOYSA-N 309.454 1.043 0 40 DDAB O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)ccc1F 40438714 ONUAEBDLGWJRNV-UHFFFAOYSA-N 316.741 1.904 0 40 DDAB COC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 100885705 OIMVXRBBDDKOPR-BLTAXRJOSA-N 305.355 1.203 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCCC3)ccc2c1=O 32478160 VQARLDJBPVGVFN-UHFFFAOYSA-N 301.346 1.507 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccccc2F)C1=O 32750889 WUDPXOLVKRHGBG-ZBEGNZNMSA-N 322.336 1.286 0 40 DDAB O=C(CN1C(=O)CCC1=O)N1CCC(c2ccccc2)CC1 32786953 VYUAMTSHNHZANH-UHFFFAOYSA-N 300.358 1.542 0 40 DDAB CCOc1ccccc1-n1nnnc1S[C@H]1C[C@@H](C)OC1=O 32736397 YOZFIACTNIUADQ-SKDRFNHKSA-N 320.374 1.857 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1 531028 IOIPESYCISLLGT-LURJTMIESA-N 302.356 1.233 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 53668372 HCABORMGDZKUBL-UHFFFAOYSA-N 314.382 1.242 0 40 DDAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccco1 560600 AYBXUJQXFLNFHR-JTQLQIEISA-N 322.390 1.462 0 40 DDAB CC(C)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 78870178 MHJVDBHUGYOPTB-LLVKDONJSA-N 311.407 1.715 0 40 DDAB COC(=O)c1cccc(C(=O)OC)c1I 2385448 WBLBZWRGFUJZKJ-UHFFFAOYSA-N 320.082 1.864 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)NCCCNS(C)(=O)=O 43357040 OLTYGTSSFRMARX-UHFFFAOYSA-N 319.814 1.709 0 40 DDAB Cn1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1C(=O)O 87767967 DZGICVFIHJJRTA-PWSUYJOCSA-N 312.391 1.677 0 40 DDAB CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C1=O 100797190 JOJYFZRSTOQMDS-CQSZACIVSA-N 317.776 1.937 0 40 DDAB biogenic CC(C)COC1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 55910611 DRXSFOAPTUVOPB-UHFFFAOYSA-N 310.394 1.189 0 40 DDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCO[C@@H]2CCC[C@H]21 56198014 XBXXMLAHTCKGDY-HZPDHXFCSA-N 312.369 1.851 0 40 DDAB CN1CC[C@H](CNC(=O)N2CC[C@H](C(N)=O)C2)c2ccccc21 56488021 VPXFPHHMFXFVHW-OLZOCXBDSA-N 316.405 1.127 0 40 DDAB OC[C@@H](Cc1ccc(O)cc1)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 108057831 UNPWXFFUDYDRND-TTZDDIAXSA-N 320.458 1.948 0 40 DDAB O=C(O)CCCn1c(=O)n(CCCC(=O)O)c2ccccc21 8768484 RLTUQXUCKNXFFD-UHFFFAOYSA-N 306.318 1.533 0 40 DDAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 27267046 SOOCLVYAOQSIDH-CYBMUJFWSA-N 303.362 1.888 0 40 DDAB NC(=O)[C@H]1CC(C(=O)NCc2ccccc2)=NN1c1ccccc1 29107247 GJRQESAKVKXOHE-MRXNPFEDSA-N 322.368 1.423 0 40 DDAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)[C@@H]1CCCO1 27867889 QNIBNBOQSFCMMG-OCCSQVGLSA-N 318.373 1.486 0 40 DDAB COc1ccccc1N1CCN(c2nccn3c(C)nnc23)CC1 345841586 BIVRLFAGTIYYRO-UHFFFAOYSA-N 324.388 1.768 0 40 DDAB CS(=O)(=O)c1ccc(O[C@@H](C(N)=O)c2ccc(F)cc2)cc1 58309875 MFTYXMNMCUXZMI-CQSZACIVSA-N 323.345 1.835 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccccc2F)C1 27955307 ZGSDXTARMPCKGP-LBPRGKRZSA-N 300.399 1.935 0 40 DDAB COC(=O)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1 58431940 RSMAAVZSFGAJFM-UHFFFAOYSA-N 323.374 1.922 0 40 DDAB O=C(COC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12 10910956 AKUWKOTZORKUOY-SNVBAGLBSA-N 321.354 1.329 0 40 DDAB O=C1O[C@@H](CO)CN1c1ccc(N2CCSCC2)c(F)c1 45358162 TUECWCXPYKEVPZ-LLVKDONJSA-N 312.366 1.696 0 40 DDAB O=C([C@H]1CCCO1)N1CCC(c2nnc3ccccn23)CC1 28734888 XZPVUSSVMXNVPV-CYBMUJFWSA-N 300.362 1.614 0 40 DDAB Nn1cc(-c2ccccc2)nc1SCCN1CCOC1=O 29279847 XUKPAHKBVAXTGJ-UHFFFAOYSA-N 304.375 1.808 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)O[C@]1(C)[C@@H]1[C@@H]3C=C[C@@](C)(O3)[C@H]12 104044163 XWPHQVZRCZJWTC-XTIRPXINSA-N 320.341 1.150 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 2620227 QKQWLMWHAFCAQY-UHFFFAOYSA-N 303.767 1.825 0 40 DDAB Cc1noc([C@H](C)N2CCN(Cc3nc(C(C)C)no3)CC2)n1 46510665 GMSNMRZMQONCJL-NSHDSACASA-N 320.397 1.763 0 40 DDAB CN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48260920 OZTIAUZACNPHKF-GFCCVEGCSA-N 316.810 1.669 0 40 DDAB COc1ccc(C(=O)OCC(=O)NCc2ccco2)c(OC)c1 3315403 FHXMLYFMLYHWPY-UHFFFAOYSA-N 319.313 1.770 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)CCn1c(=O)oc2ccccc21 48362178 KIAOSXXBRRFPRB-ZDUSSCGKSA-N 318.373 1.870 0 40 DDAB O=C(COc1cccc(-n2cnnn2)c1)NCC1CCCCC1 3452272 FNMXOIZKUQXTGT-UHFFFAOYSA-N 315.377 1.738 0 40 DDAB COc1ccccc1CCNC(=O)CCNC(=O)c1ccco1 12999382 ZKQXPFNRHHYEHS-UHFFFAOYSA-N 316.357 1.767 0 40 DDAB COC(=O)c1cccc(NC(=O)CCN2CCSC2=O)c1 12914928 HJUBWABROZLGFU-UHFFFAOYSA-N 308.359 1.971 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)c2nccs2)C1 49103220 USOHIVDURPMIHW-OUAUKWLOSA-N 316.448 1.810 0 40 DDAB Cc1cc(C)n(CCCNC(=O)Nc2cncnc2N(C)C)n1 96008025 AZJXSCDULAIWNQ-UHFFFAOYSA-N 317.397 1.568 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCNC1 84200233 GUSGLHDTRSXMKE-STQMWFEESA-N 311.426 1.502 0 40 DDAB in-vitro CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 14092717 UNVZQBYROHNDKN-TXEJJXNPSA-N 305.378 1.693 0 40 DDAB COCCN(CCOC)C(=O)c1cc2ccc(OC)cc2[nH]1 5348843 ILGKQQVSTDQFTD-UHFFFAOYSA-N 306.362 1.912 0 40 DDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 14188463 UDIFMYOGNWDRRU-OAHLLOKOSA-N 314.316 1.980 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](n2cccn2)C1 65611193 HVLTUXBEQAGGDZ-HNNXBMFYSA-N 322.372 1.941 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 4548299 VVTLXLWQSNFKML-VXGBXAGGSA-N 307.394 1.641 0 40 DDAB OCCSCCOc1ccc(OCCSCCO)cc1 4666700 AGRVXMKYBHVFAQ-UHFFFAOYSA-N 318.460 1.895 0 40 DDAB CCOC(=O)C1=C(COc2ccccc2F)NC(=O)N[C@H]1C 4960347 DGQRPAGJGHZWMF-VIFPVBQESA-N 308.309 1.723 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)COC3)C2 71860232 DRNSIMUGVVOCDI-UHFFFAOYSA-N 324.384 1.771 0 40 DDAB C[C@@H](CN1CCCC1=O)NCc1cn(C)nc1-c1ccncc1 71825280 XMKOVQOTIMYDFC-ZDUSSCGKSA-N 313.405 1.583 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1c1cccc(Br)n1 72343923 LTRPPYHGHVLXLZ-VIFPVBQESA-N 305.197 1.941 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2cccc(C)c2)C1=O 8156190 LUVYTMCODFQSAO-MEDUHNTESA-N 319.361 1.514 0 40 DDAB Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)CN1CCOCC1 87037622 TVLWUESWGBMNSU-AWEZNQCLSA-N 323.412 1.697 0 40 DDAB Cc1cnn(C[C@H](C)NCc2ccc(OCC(N)=O)cc2)c1 69463536 GVEDLDFDPRHKLO-ZDUSSCGKSA-N 302.378 1.234 0 40 DDAB COC(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1 69697616 VXBIKOGOVGVLMS-CYBMUJFWSA-N 304.346 1.070 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69738216 LTXIIHZYGJCOOP-UWVGGRQHSA-N 314.311 1.800 0 40 DDAB CN(C)CCN(C(=O)c1cc(C2CC2)[nH]n1)C1CCN(C)CC1 69843535 LJEAOKNEJBOCCU-UHFFFAOYSA-N 319.453 1.385 0 40 DDAB Cc1nnc(CNC(=O)CCCOc2ccccc2F)n1C 69895632 CALIMZBLUPFFJD-UHFFFAOYSA-N 306.341 1.738 0 40 DDAB C[C@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccccc1 69897882 RTJHZKGCUUALFV-DZGCQCFKSA-N 303.406 1.833 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 69981620 GNCOGSWOHBBJLE-INIZCTEOSA-N 320.433 1.761 0 40 DDAB O=C(Cc1cccnc1)NCCc1nc(-c2ccccc2)n[nH]1 97379597 LWOHKIQUCNSHJQ-UHFFFAOYSA-N 307.357 1.768 0 40 DDAB CCn1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)cn1 97036403 QLMJXGHJEWRLAI-CYBMUJFWSA-N 305.309 1.468 0 40 DDAB O=C(c1cncc(F)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 97032060 FVZHGYGZHHVLJO-IAQYHMDHSA-N 317.364 1.836 0 40 DDAB Nc1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)n[nH]1)C2 84432849 ASIYNPNWJFUHAE-UHFFFAOYSA-N 310.317 1.240 0 40 DDAB CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2nnc(C)o2)ncn1 72276618 HATKXZQJMCDCPK-JQWIXIFHSA-N 317.397 1.529 0 40 DDAB O=C(Nc1c[nH]ccc1=O)C(=O)c1ccc(Br)cc1 72284768 SUYQUXUPHJVPLX-UHFFFAOYSA-N 321.130 1.959 0 40 DDAB O=S(=O)(c1ccc(F)cc1Cl)N1CCN2CCC[C@@H]2C1 72277716 NKQJTFSPNGWJPL-LLVKDONJSA-N 318.801 1.948 0 40 DDAB O=C(CCCc1nc(C2CC2)no1)N[C@H]1CC(=O)N(C2CC2)C1 89598197 WWTTUTLTTSPUKA-NSHDSACASA-N 318.377 1.149 0 40 DDAB CC(C)n1nccc1NC(=O)CN[C@@H](C)[C@@H](C)n1cccn1 75133908 KXRZDTMIAXEUHU-QWHCGFSZSA-N 304.398 1.838 0 40 DDAB O=S1(=O)CCC[C@@H]1CNCc1cnn(-c2ccccc2)c1 89857582 PIPIJICPTKXTFY-OAHLLOKOSA-N 305.403 1.539 0 40 DDAB C[C@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21 89938994 CNCCDIYVTWNXGO-RDJZCZTQSA-N 315.461 1.859 0 40 DDAB COc1ccccc1CNC(=O)CN1[C@@H](C)CCC[C@H]1CO 89927539 BAGAJUOQRPLCGR-ZFWWWQNUSA-N 306.406 1.547 0 40 DDAB C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)C(=O)N(C)C 175682164 TYFUOFMKHGHXDO-STQMWFEESA-N 318.421 1.513 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(CC(F)(F)F)CC1 55208759 REWYDOCZKUJRAK-UHFFFAOYSA-N 313.283 1.278 0 40 DDAB CC(C)C(=O)N[C@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306137109 QLSPFVWXDOTENM-NSHDSACASA-N 321.446 1.912 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218604218 VDTDCTAXVYYPDW-IHRRRGAJSA-N 301.383 1.460 0 40 DDAB COCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 30859498 NITYRVDZDZBXDB-UHFFFAOYSA-N 312.391 1.047 0 40 DDAB CC(C)NC(=O)Cn1nc(SCc2ccccn2)nc1N 35315533 JMLAEPJONVTPED-UHFFFAOYSA-N 306.395 1.072 0 40 DDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)ccc1F 77937666 RRXBQOOFPPCZRG-RNCFNFMXSA-N 312.316 1.571 0 40 DDAB CNC(=O)c1cccc([C@H]2CN(c3ncccn3)CCN2C)c1 72367679 KYERCKLSXGAYHK-OAHLLOKOSA-N 311.389 1.329 0 40 DDAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCCC(=O)O)=N1 33629383 VORKNFAJXJKGAP-CYBMUJFWSA-N 319.386 1.654 0 40 DDAB COCCn1cc(NC(=O)[C@@H]2C[C@]2(C)Br)cn1 528042057 VZPHQRYLOKWGFN-ONGXEEELSA-N 302.172 1.642 0 40 DDAB CC(C)CO[C@@H](C)C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1 574960033 AOXVWKINOXCTSR-LBPRGKRZSA-N 323.393 1.806 0 40 DDAB CCn1nc(C)c2nn(CC(=O)N[C@H](C)c3ccncc3)cc21 46087568 DLMFARCCNOLFDK-LLVKDONJSA-N 312.377 1.834 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)NC3CC3)O[C@H]2C1 96041020 OHAQSPDXDRMAPB-UBHSHLNASA-N 321.446 1.710 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053824 JGZZJVKQDZAHLL-HUUCEWRRSA-N 308.385 1.681 0 40 DDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccco2)O1 96057482 VTZLQEQYQZBUTH-RBSFLKMASA-N 308.378 1.164 0 40 DDAB CCC(C)(C)NC(=O)Nc1cnn(CCN2CCOCC2)c1 96460459 LNJOFJOZPNNJDK-UHFFFAOYSA-N 309.414 1.525 0 40 DDAB Cn1cc(N2CCN(c3cc(NCC4CC4)ncn3)CC2)cn1 95442066 PJXBSNBQOQNCTA-UHFFFAOYSA-N 313.409 1.359 0 40 DDAB Cc1cc(F)cc(NC(=O)NC2CCS(=O)(=O)CC2)c1 97103634 CYNGQVOWQMBPPY-UHFFFAOYSA-N 300.355 1.833 0 40 DDAB Cc1nncn1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 96445324 VFBVJOHFZCCPBU-VXGBXAGGSA-N 306.316 1.785 0 40 DDAB O=C1CO[C@@]2(COCCN(CC3CC3)C2)CN1c1ccccc1 96051280 FBEJXDCZNMDNIB-GOSISDBHSA-N 316.401 1.531 0 40 DDAB C[C@@H]1CCCN(C(=O)c2ccccc2OCc2nnnn2C)C1 96101388 RMKKTOHJTAFPTE-GFCCVEGCSA-N 315.377 1.661 0 40 DDAB O=C(c1ccoc1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCCC2=O)C1 96057108 RMKHCMRZYUNFQR-BJJXKVORSA-N 318.373 1.522 0 40 DDAB O=C(O)[C@@H]1C[C@H](N2CCCC2)CCN1C(=O)c1cccs1 96069040 BQVFOFJCTIIIGL-NEPJUHHUSA-N 308.403 1.902 0 40 DDAB CNC(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101087 QAOJBJIQQGCQSG-SNVBAGLBSA-N 317.345 1.235 0 40 DDAB CCc1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)o1 96432198 NRINVANBLFBSEW-JTQLQIEISA-N 323.374 1.650 0 40 DDAB CC(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96113149 LMOZVRUEVJNHOM-LLVKDONJSA-N 304.268 1.727 0 40 DDAB biogenic,in-vitro COCc1cc(N2CCN(C3CC3)C(=O)C2)nc(C(C)(C)C)n1 95433656 PMDZQRHLARYGHR-UHFFFAOYSA-N 318.421 1.732 0 40 DDAB O=C1C[C@@]2(CCN(CC3CCOCC3)C2)CN1c1ccccn1 96050814 MZYUGCNVJHTHOL-GOSISDBHSA-N 315.417 1.937 0 40 DDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2 97379380 MYWNJVFLANAMBC-AWEZNQCLSA-N 300.362 1.451 0 40 DDAB Cn1cnc2c(NCc3cccc(-n4cncn4)c3)ncnc21 605149132 LVWFGQGXMNXUPJ-UHFFFAOYSA-N 306.333 1.556 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3cncnc3C)CCO2)nc(C)n1 257222857 DUXKFWIJVFMIAV-OAHLLOKOSA-N 313.361 1.406 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3[nH]cnc3C)CC[C@H]21 257321836 WDMCVKRVPCXVGY-GOEBONIOSA-N 320.437 1.568 0 40 DDAB Cc1cncc([C@H]2CCCN(C(=O)c3cc(C)nc(O)n3)C2)n1 257290775 QEHIJCCHBCVENC-LBPRGKRZSA-N 313.361 1.609 0 40 DDAB Cc1cc(C)c(C(=O)NC[C@@H](C)N2CCOC[C@H]2C)c(O)n1 253534285 NGTRXITWUXEWEF-CHWSQXEVSA-N 307.394 1.243 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)C1 252507983 WZFSZQHLZUQCME-QWRGUYRKSA-N 324.402 1.827 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 257333907 YDQIZDXJRCSRCJ-KRWDZBQOSA-N 308.397 1.628 0 40 DDAB Cc1c[nH]c([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257274347 NKQCYTVCUGOBNO-CYBMUJFWSA-N 313.423 1.754 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257251410 JQQPYKSBMYHGLT-FRRDWIJNSA-N 310.361 1.229 0 40 DDAB COCC(=O)N1CC2(CCN(C3CCCC3)CC2)C[C@@]1(C)CO 257314315 UWJUTRHNNKKESR-KRWDZBQOSA-N 324.465 1.641 0 40 DDAB Cc1ncccc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257323907 WMILJBMCILNHSP-HZPDHXFCSA-N 316.332 1.793 0 40 DDAB Cc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260895285 KAIYLPSMOUNFJY-CYBMUJFWSA-N 312.435 1.922 0 40 DDAB COC(=O)c1ccccc1N(C)C(=O)c1cnn2c1OCCC2 90583803 RULRVTGMTRWVQO-UHFFFAOYSA-N 315.329 1.729 0 40 DDAB O=C(c1ccccn1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575607464 UHBNQTMIQXDHDZ-NSHDSACASA-N 304.737 1.819 0 40 DDAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCCC2)C1 585282935 JWYVSUDIKFBFHW-FUHWJXTLSA-N 318.417 1.110 0 40 DDAB Cc1nc(CN2C[C@H]3CN(C(=O)C4(F)CC4)C[C@H]3C2)cs1 585107618 WAVXCLOVRMOEDG-TXEJJXNPSA-N 309.410 1.844 0 40 DDAB Cc1cc(C(=O)N2CC(F)(F)C[C@]3(CCN(C)C3=O)C2)on1 585093191 IDTIWWAZXMIAPL-CYBMUJFWSA-N 313.304 1.313 0 40 DDAB Cc1cc(C(=O)NCc2cn(-c3cccs3)nn2)n(C)n1 585149625 DDJMAMNCEPNYRK-UHFFFAOYSA-N 302.363 1.301 0 40 DDAB CN1C[C@H](CO)CC12CN(C(=O)c1ccc(F)c(Cl)c1)C2 585094007 YOMUGOJHASEWFZ-SNVBAGLBSA-N 312.772 1.618 0 40 DDAB CCc1nc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)no1 69350196 FEXPKMNJDCIRCL-ZDUSSCGKSA-N 305.382 1.346 0 40 DDAB C[C@H](O)CN1CCC(CNCc2nnc(C(C)(C)C)o2)CC1 69595923 GZXKSAJTCBJRSZ-LBPRGKRZSA-N 310.442 1.550 0 40 DDAB CN(C)C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)CCO1 71877055 IXZMVAPZLZASIX-DOMZBBRYSA-N 300.349 1.261 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H](C)n2cncn2)no1 76044535 HBIPSZMZILVJIH-MNOVXSKESA-N 304.354 1.709 0 40 DDAB CC(C)C(=O)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)[C@H](C)C1 76057679 WFOUVLYYXVLJIN-CZUORRHYSA-N 317.433 1.768 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)N(C)C[C@H]1CCN(C)C1 84012151 HLMKGPZFUQMCGF-AWEZNQCLSA-N 307.442 1.173 0 40 DDAB CC(=O)N1CCCC[C@@H]2N(CC3(O)CCOCC3)CCC[C@@]21C 1615113285 RQKXRBXSRBINBY-IRXDYDNUSA-N 324.465 1.783 0 40 DDAB COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 11174653 ABCPWFMTXKCIQB-UHFFFAOYSA-N 320.326 1.931 0 40 DDAB O=C(NCCn1c(=O)oc2cc(Cl)ccc21)c1cnccn1 13266597 VFWCPIWYKJIHBK-UHFFFAOYSA-N 318.720 1.468 0 40 DDAB Cc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)c(=O)n2C 13364522 JQPPKLRTKKTQIL-UHFFFAOYSA-N 323.352 1.798 0 40 DDAB O=C(COC(=O)Cn1nnc2ccccc21)NC1CCCC1 15941091 YELAWIHUEGTVDH-UHFFFAOYSA-N 302.334 1.033 0 40 DDAB COc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cn1 16574629 ZUPXRHJJAJDKMK-AAEUAGOBSA-N 306.362 1.942 0 40 DDAB CC(C)N1C[C@H](C)[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 155503896 FZWGJJHRAVNHMT-ZFWWWQNUSA-N 313.405 1.726 0 40 DDAB c1ccc2c(c1)CC[C@H](CNCCCNC1=NCCCN1)O2 1536693 QVSXOXCYXPQXMF-OAHLLOKOSA-N 302.422 1.299 0 40 DDAB in-man COc1ccc(O[C@H]2CCN(C(=O)c3c(C)noc3C)C2)nn1 225437984 YOECTTYFVAZMLQ-NSHDSACASA-N 318.333 1.384 0 40 DDAB CCc1ccccc1NC(=O)C[C@H](NC[C@@H]1CCCO1)C(=O)O 4279968 KLEWRDJYEOFKRP-ZFWWWQNUSA-N 320.389 1.799 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 4477394 AVSAIHCEWKPHDA-QGZVFWFLSA-N 315.373 1.466 0 40 DDAB O=c1c2ccccc2nnn1CSC(=S)N1CCCC1 5289432 WPCIQRLARVTWNZ-UHFFFAOYSA-N 306.416 1.863 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ncccn2)C1=O 21211927 ZARNJRXQHKMKCA-NSHDSACASA-N 312.329 1.619 0 40 DDAB Cc1noc(CN2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1 1888843413 LVCJNIMFVBDQFK-UHFFFAOYSA-N 316.409 1.788 0 40 DDAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 100078470 ABVBOYDDLJKDFV-RSUWNVLCSA-N 319.744 1.454 0 40 DDAB CC1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)c2cncnc2)CC1 2056225229 KLGSFOHNBKOHIN-WMLDXEAASA-N 314.389 1.340 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cc(C(C)=O)[nH]n1)[C@H]2C 1565555421 HTEIVEJTRSNMHB-VIFPVBQESA-N 317.349 1.172 0 40 DDAB COC(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1c(OC)cccc12 117177 DLAIRTVEVSFSPC-RULNRJAQSA-N 308.359 1.112 0 40 DDAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 4281054 IWBCSLUKIIZLGO-UHFFFAOYSA-N 323.418 1.880 0 40 DDAB O=C(/C=C/c1ccoc1)NCC1CCN([C@H]2CCOC2)CC1 575415730 YUYHCPBXSUPBKQ-PYKQWIPUSA-N 304.390 1.910 0 40 DDAB O=C(NCC[C@@H](CCO)c1ccsc1)C(=O)Nc1ccon1 618255680 VYMUAGACWCLIOY-JTQLQIEISA-N 323.374 1.347 0 40 DDAB O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cnn[nH]1 53412438 BCUAJBKBECQRHM-VIFPVBQESA-N 323.150 1.821 0 40 DDAB CCOC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100166132 NADRFVQJUKWNGP-GXSJLCMTSA-N 322.704 1.147 0 40 DDAB C[C@H]1CC(=O)c2c(OCC(=O)N3CCNC3=O)ccc(Cl)c21 40505672 RYJZGFUOGJPGST-QMMMGPOBSA-N 322.748 1.961 0 40 DDAB COc1ncccc1C(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 40512371 NIGTULBFNLBDGC-RWMBFGLXSA-N 307.394 1.318 0 40 DDAB O=C(CN1CCSC1=O)Nc1cccnc1N1CCCC1 40553156 QZJJVLZGTKCHJW-UHFFFAOYSA-N 306.391 1.789 0 40 DDAB CC(C)CN1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)CC1=O 40504348 GROGVHSXKIYLOQ-ZETCQYMHSA-N 319.287 1.267 0 40 DDAB OCC[C@@H]1CN(Cc2ncc[nH]2)CCN1Cc1ccc(F)cc1 20779907 ZLYOXAFIFDWWLK-MRXNPFEDSA-N 318.396 1.618 0 40 DDAB COc1ccc(OCC(=O)N2CCC[C@H](C)C2)c(C(N)=O)c1 51970500 DZSKWVHYLIBVQS-NSHDSACASA-N 306.362 1.431 0 40 DDAB CN1[C@H]2CC[C@H]1CC(N1CCN(c3cccc(F)n3)CC1)C2 101790182 XVTXHNWPCZFIKZ-KBPBESRZSA-N 304.413 1.968 0 40 DDAB Cc1noc(-c2ccc(C(=O)N(C)CC(=O)N(C)C)cc2)n1 32719683 UAOQXKNKNZQWCU-UHFFFAOYSA-N 302.334 1.205 0 40 DDAB O=C(Cc1noc2ccccc12)Nc1ccc2c(c1)C(=O)NC2=O 32747894 HRWVTAZWDDODFJ-UHFFFAOYSA-N 321.292 1.893 0 40 DDAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccco1 41976215 RBIVDEBPMVABCJ-DGCLKSJQSA-N 305.378 1.009 0 40 DDAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc[n+]2[O-])C1 54223011 NLEPZGDLINVLAU-HOCLYGCPSA-N 311.385 1.885 0 40 DDAB CNC(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 54360734 UZCXIPFWBLFTDT-FLIBITNWSA-N 308.334 1.998 0 40 DDAB CC(C)c1nnc(NC(=O)[C@@H]2CSC(C)(C)N2C=O)s1 115350 BDZFEUAVNNIWPW-QMMMGPOBSA-N 314.436 1.910 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nnc2ccccn12 23404314 KEAZFNNKUIBSBC-LBPRGKRZSA-N 323.422 1.453 0 40 DDAB CCS(=O)(=O)N1CCC(Nc2cnc3ccccc3n2)CC1 42678271 DSJKCEXSJIXNJW-UHFFFAOYSA-N 320.418 1.856 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1ccccc1 42869215 DEHXGNHTTWHCAF-HUUCEWRRSA-N 322.430 1.590 0 40 DDAB CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@H]3C[C@H]3C)CC2)n1 79022230 NWEOXIUIVCMRPC-UPJWGTAASA-N 322.409 1.467 0 40 DDAB COCCNC(=O)c1cccc(I)c1 3093791 FYSJRXGSHLFKSB-UHFFFAOYSA-N 305.115 1.667 0 40 DDAB C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1nncn1C 43165134 IHSGOYYCGFTSSU-CMPLNLGQSA-N 301.350 1.699 0 40 DDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 3010524 KVGCCBQHDNCCEB-MNOVXSKESA-N 313.398 1.012 0 40 DDAB O=C(OCc1ccccc1)N1CCOCCOCCOCC1 3896127 HYKMCERFDCVNBH-UHFFFAOYSA-N 309.362 1.689 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H]1CCCN1C)C2 106517225 HZGJZWJMXYBQHZ-KBPBESRZSA-N 304.390 1.457 0 40 DDAB CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCC(N)=O 25061357 NISGVGFHJBURAE-UHFFFAOYSA-N 321.358 1.799 0 40 DDAB Cc1cc2occ(CC(=O)O[C@@H](C)C(=O)NC(N)=O)c2cc1C 4493583 HTDLFHWMPGHTDR-JTQLQIEISA-N 318.329 1.719 0 40 DDAB O=S(=O)(c1ccc2c(c1)COC2)N1CCN2CCC[C@@H]2C1 72277702 GWEBVXFIWMYKGK-CQSZACIVSA-N 308.403 1.186 0 40 DDAB COCCNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 56779368 GJPCOVRIZFLBJK-SNVBAGLBSA-N 312.395 1.150 0 40 DDAB Cc1ccc2nc(Cl)c([C@@H]3NC(=O)[C@@H]4C[C@@H](O)CN43)cc2c1 35344092 KGEXJMPMYHMYIU-RIEGTJTDSA-N 317.776 1.760 0 40 DDAB Cn1ncc(C(=O)NC2CCN(C3CC3)CC2)c1-n1cccc1 44217424 ULSQPOVOOBIVGX-UHFFFAOYSA-N 313.405 1.567 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nnsc1Cl 26917368 GPANFFQMBFVYSG-LBPRGKRZSA-N 322.821 1.864 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C 8500068 NYMBFBCRXQEDHE-ZDUSSCGKSA-N 304.390 1.795 0 40 DDAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc2[nH]nnc2c1 108997159 WUPVYUNOBIWNKZ-UHFFFAOYSA-N 322.328 1.954 0 40 DDAB O=CN1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 9062861 KMEINEDBCNNCLO-UHFFFAOYSA-N 315.417 1.199 0 40 DDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(OC)cc1C 58179724 KQWZRUBOIWFNBO-UHFFFAOYSA-N 323.418 1.948 0 40 DDAB COCCOc1ncccc1C(=O)NC[C@@H]1CCN(C(C)C)C1 58210811 HGBMVIZAFKZFPW-AWEZNQCLSA-N 321.421 1.567 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccn(-c2ccccc2)n1 44918596 HKCPWEFWSGBBHS-GFCCVEGCSA-N 319.386 1.037 0 40 DDAB C[C@H](CNC(=O)N(CCO)C1CC1)N1CCc2sccc2C1 44971295 DEOGZTJQIHDSKO-GFCCVEGCSA-N 323.462 1.661 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OCO2 10336314 ZTBVKUHRPIERAQ-UHFFFAOYSA-N 323.312 1.572 0 40 DDAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccnc(-n2ccnc2)c1 58391658 BVZORCZFINWHFM-LBPRGKRZSA-N 313.361 1.008 0 40 DDAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)on1 58345526 IEUOIPGDNGANAI-UHFFFAOYSA-N 321.358 1.346 0 40 DDAB CNC(=O)Nc1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 2317266 XCTCCFIBAWPYOU-LLVKDONJSA-N 306.240 1.361 0 40 DDAB O=C(NC[C@@H]1COCCO1)N1CCO[C@H](c2ccccc2)C1 84525589 BJKAGSFIWGOKGZ-CABCVRRESA-N 306.362 1.185 0 40 DDAB C[C@H]1C[C@@H](N[C@H](C)CCn2cncn2)C(=O)N1c1ccccc1 110703944 ILRLQKCBLGXCQD-IJEWVQPXSA-N 313.405 1.840 0 40 DDAB CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 45751252 RCMZPDRZBCPHBH-HNNXBMFYSA-N 302.374 1.969 0 40 DDAB Fc1cnc(N2CCC[C@@]3(CCN([C@H]4CCOC4)C3)C2)nc1 107192118 HPCIPRYVNUJZCO-HOCLYGCPSA-N 306.385 1.697 0 40 DDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)cc(F)c1 72294326 UBQOINYADUNFHW-ZANVPECISA-N 312.316 1.571 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101647821 QGEWJFXRHVWEEL-MRVWCRGKSA-N 314.451 1.353 0 40 DDAB CCOc1cc([C@@H]2C=C(C(=O)O)Nc3ncnn32)ccc1O 101347667 GHJUSIXFJNHNQB-JTQLQIEISA-N 302.290 1.366 0 40 DDAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 48236433 DOWNRQZWHZMQTQ-QWHCGFSZSA-N 309.435 1.526 0 40 DDAB CN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 48260922 OZTIAUZACNPHKF-LBPRGKRZSA-N 316.810 1.669 0 40 DDAB Cc1ccc2[nH]c(=O)c(CNCCN3CCOCC3)cc2c1 22459620 XLGXWWKDLOGUSQ-UHFFFAOYSA-N 301.390 1.258 0 40 DDAB Cc1cccc(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 12759620 LTTKHUFRCJSZEL-UHFFFAOYSA-N 318.421 1.669 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)CCn1c(=O)oc2ccccc21 48362181 KIAOSXXBRRFPRB-CYBMUJFWSA-N 318.373 1.870 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(C)C)c1C 3590672 MGUCOLIILWHDMK-UHFFFAOYSA-N 324.377 1.737 0 40 DDAB C[C@]1(C(=O)O)CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 62913843 ZLTSULZRLJGKQD-DOMZBBRYSA-N 309.749 1.967 0 40 DDAB CC[C@@H](NC[C@H]1CCCCO1)c1cccc(S(N)(=O)=O)c1 96008611 IVVXVLKOYNIAGG-UKRRQHHQSA-N 312.435 1.944 0 40 DDAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccco1 13571694 MNISBDRHLNYGOA-QMMMGPOBSA-N 303.347 1.743 0 40 DDAB COC(=O)C1=NOC2(CCN(c3cc(Cl)nc(C)n3)CC2)C1 97163715 CJKKOBLNBVLUHL-UHFFFAOYSA-N 324.768 1.727 0 40 DDAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 13728455 WTDSTGZJBUVFBK-JTQLQIEISA-N 301.306 1.199 0 40 DDAB CCCCn1c(C)c(C)n2c3c(=O)n(CC)c(=O)n(C)c3nc12 4314398 RAFAOMJLCMZOPG-UHFFFAOYSA-N 317.393 1.586 0 40 DDAB CCOCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13941700 LKKAWXSROBGHJC-GFCCVEGCSA-N 306.362 1.570 0 40 DDAB CCCn1nnnc1CN1CCO[C@H](c2nc(C)cs2)C1 65540561 IGKFHAAXFNGHSI-NSHDSACASA-N 308.411 1.422 0 40 DDAB CCn1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cn1 6490301 CNPWGNHCRJSZIQ-UHFFFAOYSA-N 304.375 1.804 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 14240028 KCQLICXBVPDWAC-UHFFFAOYSA-N 321.377 1.900 0 40 DDAB CNC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 4689021 LIJLMYUDSFGEEX-MDZDMXLPSA-N 320.370 1.517 0 40 DDAB C[C@H](C(=O)Nc1ncccc1Br)S(C)(=O)=O 96427060 FNTYEXKBHPIDIJ-ZCFIWIBFSA-N 307.169 1.216 0 40 DDAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cn1ncn2nccc2c1=O 96451409 YGZVKALJZSXUSA-NEPJUHHUSA-N 317.393 1.222 0 40 DDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCC[C@@H](O)C1 67477615 LHFQPQSDXPPKTK-CVEARBPZSA-N 316.401 1.203 0 40 DDAB CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(C[S@](C)=O)c1 80431945 HUWDIHBCLWMPPV-VERVWZFWSA-N 324.446 1.600 0 40 DDAB O=C(c1cccc(-n2cccn2)c1)N1Cc2cnn(CCO)c2C1 67846676 XRVBVEGRJROUOF-UHFFFAOYSA-N 323.356 1.217 0 40 DDAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]1Cn1cccn1 71866487 HDFAZZMZORQTGA-CYBMUJFWSA-N 323.356 1.196 0 40 DDAB CCOC1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 71820657 BZOXLSMKKGJJCW-UHFFFAOYSA-N 315.373 1.493 0 40 DDAB O=C([C@@H]1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 71834612 MCZJRZYEZXIAOK-MRXNPFEDSA-N 316.401 1.302 0 40 DDAB CC(C)OCCCNC(=O)NC(=O)CSc1nccn1C 7738156 OWYMNRQPHMHXIO-UHFFFAOYSA-N 314.411 1.153 0 40 DDAB CCn1ccnc(N2CCN(c3ccc(O)cc3)CC2)c1=O 90997999 DWDNESRSWXFJLQ-UHFFFAOYSA-N 300.362 1.295 0 40 DDAB CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1F)C(N)=O 71908337 BCXPWJVBFTWWRB-JOYOIKCWSA-N 302.371 1.145 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)C12CCC2 72304226 DWURNBGVAQPBFL-KGLIPLIRSA-N 320.389 1.782 0 40 DDAB Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 69387099 LNGBXHDDILMEJH-STQMWFEESA-N 321.425 1.068 0 40 DDAB CCOCCNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 69453013 IHGZEDVUEXSVMQ-UHFFFAOYSA-N 320.798 1.478 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)COC3)co1 91675125 BCIHPYLLSPRHIJ-UHFFFAOYSA-N 322.342 1.470 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)C2 69535598 KOZOVQASCPFGJR-UHFFFAOYSA-N 300.318 1.225 0 40 DDAB CCc1noc(CN2CCCC[C@H]2Cn2nc(C)nc2C)n1 69620741 HCYHAEGPEZLRME-ZDUSSCGKSA-N 304.398 1.895 0 40 DDAB Cn1c(=O)c(CCC(=O)NCc2ccccn2)nc2ccccc21 72406046 ALSLXMITVZFJCX-UHFFFAOYSA-N 322.368 1.578 0 40 DDAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 8764682 SDYOBWKOPSNGAL-JTQLQIEISA-N 322.361 1.333 0 40 DDAB biogenic Cc1ccc(N2C(=O)N(CC(=O)N3CCCC3)C(=O)[C@@H]2C)cc1 8708250 KKXBSGNXVBDCEB-ZDUSSCGKSA-N 315.373 1.775 0 40 DDAB COC(=O)CNC(=O)c1cnc(SC)n1-c1ccccc1 8746286 CUPXRRLWASSFTE-UHFFFAOYSA-N 305.359 1.497 0 40 DDAB CCOC(=O)[C@@H]1CCCCC12N1CC3(C)CN2CC(C)(C1)C3=O 19330460 ZYRCRMAJDMGMSL-ZKLFKFSVSA-N 320.433 1.663 0 40 DDAB COc1ccc(C2(CNC(=O)N3CCC[C@@H]3CO)CC2)cc1 95416273 STHUCKYZCUVVFP-CQSZACIVSA-N 304.390 1.893 0 40 DDAB CCO[C@H](C)c1noc(CN[C@@](C)(C(N)=O)c2ccccc2)n1 84800630 DTJAPPGICXHKJD-BDJLRTHQSA-N 318.377 1.657 0 40 DDAB COC(C)(C)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997980 HYAQQOPJHDBALJ-UHFFFAOYSA-N 300.362 1.753 0 40 DDAB O=C(NCc1ccccn1)c1cn(C[C@@H](O)c2ccccc2)nn1 75164012 DNCAJGDYWUHOOM-MRXNPFEDSA-N 323.356 1.337 0 40 DDAB CC(C)(C)c1nnnn1C[C@H](O)COc1cccc2[nH]ccc12 89761572 OMKNYIANKSCHLH-NSHDSACASA-N 315.377 1.892 0 40 DDAB CC(=O)[C@@H](C)CCCCC(=O)NCC(C)(C)N1CCOCC1 89895374 CTHFTILOTKQSKS-AWEZNQCLSA-N 312.454 1.999 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NCc1nnc2n1CCCCC2 89904403 XEBGVHKQFOJIPX-LBPRGKRZSA-N 317.397 1.089 0 40 DDAB CN(C(=O)NC[C@H]1CCCO1)[C@H]1CCN(c2ccccc2)C1=O 76065807 RXNCKFCYIFNEJR-CABCVRRESA-N 317.389 1.612 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@@H]1N(C)C 76056694 CTAUVSVKVNEQNJ-JSGCOSHPSA-N 302.378 1.547 0 40 DDAB Cc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)oc1C 76059395 WQXQUGGQSHGXCV-BLLLJJGKSA-N 320.393 1.444 0 40 DDAB CCN(CC)S(=O)(=O)c1cncc(Br)c1OC 72210849 PWVYXYBALXGQHN-UHFFFAOYSA-N 323.212 1.883 0 40 DDAB O[C@@H]1CN(Cc2ccccc2F)CC[C@H]1NCc1cccnc1 36739941 LXRYLFWAVMYSOU-QZTJIDSGSA-N 315.392 1.946 0 40 DDAB O=C(NCCn1cccnc1=O)C12CC3CC(CC(C3)C1)C2 675008419 XMORSQSIRCYXGR-UHFFFAOYSA-N 301.390 1.576 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)N=C(O)CO2 71284469 ZAIOFDPMSKXRFI-VXGBXAGGSA-N 304.302 1.962 0 40 DDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71979962 DROSFFHFTVNPLT-ZDUSSCGKSA-N 322.336 1.173 0 40 DDAB C[C@@H](Cc1ccccc1)N(CC(=O)O)S(=O)(=O)c1ccco1 562982568 QAMDHGGCMTVDMN-LBPRGKRZSA-N 323.370 1.986 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cnc(O)c2ccccc12 527286514 LRWICQPWTFNTKU-AWEZNQCLSA-N 313.357 1.633 0 40 DDAB Cc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3CCCO3)CC(=O)N2C)cc1 226602701 COAICYPYBTXYKZ-BFYDXBDKSA-N 316.401 1.810 0 40 DDAB CC(C)(C)[C@H](NCc1nnc(-c2ccc(F)cc2)o1)C(N)=O 81607010 MDPHEZMWTNZMDG-GFCCVEGCSA-N 306.341 1.865 0 40 DDAB C[C@H](c1nc(COc2ccc(F)cc2)no1)S(C)(=O)=O 195576344 IJWSUVKRJQAOSQ-MRVPVSSYSA-N 300.311 1.893 0 40 DDAB CCC[C@]1(CO)CCN(C(=O)N=c2ccc(C3CC3)n[nH]2)C1 571544150 HKDURZLEHVAZRU-INIZCTEOSA-N 304.394 1.792 0 40 DDAB Cn1cccc(C(=O)NC[C@]2(O)CCc3ccccc3C2)c1=O 85559808 NOJYDGTYUOVVHT-SFHVURJKSA-N 312.369 1.035 0 40 DDAB Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCc4nnn(C)c4C3)cc12 572566538 QDKUZXXAJJALGY-SECBINFHSA-N 311.349 1.138 0 40 DDAB O=C(NCCN1CCOCC1)c1ccc2oc(Cl)nc2c1 225975348 HXBQAFOSSZUMSV-UHFFFAOYSA-N 309.753 1.543 0 40 DDAB Cc1noc(C)c1CCCNC(=O)NCC(=O)N1CCCCC1 84865088 BUPKYDYIXMPQIY-UHFFFAOYSA-N 322.409 1.536 0 40 DDAB O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc[nH]1 96423847 UMTPIEDIMLKWGP-ZDUSSCGKSA-N 313.357 1.424 0 40 DDAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)C(=O)N1C 96261578 UUHLOPZQJSZZQM-IIYDPXPESA-N 313.405 1.651 0 40 DDAB CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCCCc2ccccc21 96486569 WQGUBTNQRBHWTJ-SJORKVTESA-N 316.401 1.818 0 40 DDAB CN1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 96260581 PRPXJTUECYTBPG-UHFFFAOYSA-N 302.422 1.636 0 40 DDAB O=C(O)CN1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96224754 VLWPASSJUVZQAF-KRWDZBQOSA-N 320.364 1.725 0 40 DDAB O=C(NCc1cccs1)[C@@H]1CN(CCO)CC12CCOCC2 96241173 RAULJEJXIWHCDL-AWEZNQCLSA-N 324.446 1.085 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046146 RYSMTNIUIRCKMC-ZLKJLUDKSA-N 309.391 1.121 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 96056624 FPFZPRDFKFDKFD-HZPDHXFCSA-N 322.368 1.887 0 40 DDAB COCCN1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 97097394 ZEZSQYQQBQTURH-GFCCVEGCSA-N 308.426 1.311 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C[C@H](C)Cc2ccccc2)C1 249396906 BFVDPUSLUBPVQB-ZBFHGGJFSA-N 310.463 1.879 0 40 DDAB CN1C(=O)CCC[C@H]2CN(C(=O)CCCn3cccn3)CC[C@H]21 257327652 XCEUSXFNSLVFRZ-LSDHHAIUSA-N 318.421 1.523 0 40 DDAB CNc1cc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)ccn1 257254225 KCGHIIGQYQYNGP-ZDUSSCGKSA-N 310.423 1.601 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257255997 KJRRFUKBMKRUKN-CYBMUJFWSA-N 303.387 1.989 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cn(C)cn2)n1 257289512 PYYUIRLSPGDPAI-HNNXBMFYSA-N 314.393 1.183 0 40 DDAB CCc1nnsc1C(=O)N1CC[C@@H](c2nc(C)cn2C)C1 257237542 HGZWXVLHCNODGC-SNVBAGLBSA-N 305.407 1.772 0 40 DDAB CNc1cc(C)nc(C2CCN(CC3(O)CCOCC3)CC2)n1 257238213 HJZYBGPSSKRVNC-UHFFFAOYSA-N 320.437 1.548 0 40 DDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCC(=O)NC1=O 89755963 RLAVVIQTSYDKLO-KWQFWETISA-N 310.737 1.029 0 40 DDAB Cc1ccc2[nH]c([C@H]3CCCN3CCC(=O)NC(N)=O)nc2c1 298534486 MOHUEQXADNVURQ-CYBMUJFWSA-N 315.377 1.593 0 40 DDAB O=C(O)[C@@H]1C[C@@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1 396140513 WNGMZRXPKZWTMN-VXGBXAGGSA-N 307.302 1.431 0 40 DDAB CCCC(=O)N1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 575403695 JYKNRMZCNSDICY-ZDUSSCGKSA-N 305.378 1.724 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCCN(c3ncccn3)C2)C1 585101331 YSSYPWOOZQBFNP-MRXNPFEDSA-N 317.393 1.459 0 40 DDAB O=C(C[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1O)N1CCCC1 585278830 VWARCKZLFDWKDC-ZFWWWQNUSA-N 324.371 1.770 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1cn(C)nc1-c1cccnc1)CC2 72288470 GKOTWPCEERLBQE-OAHLLOKOSA-N 323.404 1.487 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(S(C)(=O)=O)cc1 44890043 HAEHXLLBHFAMOH-CYBMUJFWSA-N 310.419 1.304 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 76045527 RZJMIBWTXXEBPU-LBPRGKRZSA-N 306.391 1.626 0 40 DDAB CSCc1cc(F)ccc1CNC(=O)[C@@H]1CN(C)CCO1 89385626 NLBJNOFUYWYZCR-AWEZNQCLSA-N 312.410 1.636 0 40 DDAB CCc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)o1 98010382 YTJZHGDBFVPGJI-GFCCVEGCSA-N 302.334 1.111 0 40 DDAB O=C(O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1 2028215 ARWIDJYXRUTGPZ-XFXZXTDPSA-N 314.297 1.251 0 40 DDAB COc1cc(O)c(C(=O)O)c(-c2c(C)cc(=O)oc2C(=O)O)c1 1772591833 REXMMZZLCGOGIA-UHFFFAOYSA-N 320.253 1.726 0 40 DDAB CN1C[C@@H](C(=O)Nc2ccn(C)n2)[C@@H]2COc3ccccc3[C@@H]21 1772595862 OZYAVTQXPRBPSP-WWGRRREGSA-N 312.373 1.670 0 40 DDAB O=C(NCCOc1ccccc1)C(=O)Nc1ccccc1F 5604074 QQHWJAFVEUEJOI-UHFFFAOYSA-N 302.305 1.959 0 40 DDAB CC(C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234196 AHGGWHXQPWNODJ-UHFFFAOYSA-N 317.324 1.067 0 40 DDAB O=C([C@H]1CC(c2ccc(Cl)cc2)=NO1)N1CC[C@@H](CO)C1 12325689 XDMBSCYGGSEMFS-QMTHXVAHSA-N 308.765 1.674 0 40 DDAB CCn1cc(CNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)n1 17031195 YLHSDKQPHQCVNC-WVWOOGAGSA-N 305.378 1.575 0 40 DDAB O=C1C[C@H](NCCc2cnc[nH]2)C(=O)N1c1cccc(Cl)c1 17054810 BSGOUTAVSXUANY-ZDUSSCGKSA-N 318.764 1.527 0 40 DDAB CN(Cc1nc(N(C)C)ncc1-c1ccncc1)C(=O)C1CC1 19585354 VSCPUNGVRSMCLM-UHFFFAOYSA-N 311.389 1.973 0 40 DDAB C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)C[C@@H](C)c1nnn[nH]1 156527991 ITSDYFDKZXTEFM-NRUUGDAUSA-N 301.350 1.326 0 40 DDAB COc1ccc(N2C[C@H](NC(=O)N3CCCCC3)CC2=O)cc1 5190489 FCTOHCNEEDDSEA-CYBMUJFWSA-N 317.389 1.996 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc2c(c1)OCCO2 22130822 IVKNTPFWCSSZEI-UHFFFAOYSA-N 315.373 1.667 0 40 DDAB c1ccc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)cc1 1888882130 FLENWWPIXAQDRU-OKILXGFUSA-N 306.373 1.697 0 40 DDAB c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1 1889077208 IHFLPJRREMLTLK-UHFFFAOYSA-N 316.434 1.860 0 40 DDAB COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1OC 27933825 IDPOWHNICKQBRO-UHFFFAOYSA-N 301.364 1.033 0 40 DDAB Cc1nc(C(=O)N2CCc3ncnc(N(C)C)c3CC2)cs1 1565551700 QRNKIKYMFKYAOL-UHFFFAOYSA-N 317.418 1.549 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055771633 NQXIOJDGBOTKCB-ZDUSSCGKSA-N 318.421 1.358 0 40 DDAB O=c1ccc(C2CC2)nn1CC1CCN(C[C@H]2CCOC2)CC1 585502742 NGHOPESYZRYRSD-OAHLLOKOSA-N 317.433 1.869 0 40 DDAB COCc1nsc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)n1 2298031806 GHSHODHHROHZMO-NSHDSACASA-N 322.438 1.129 0 40 DDAB O=c1n(CCSc2nccn2C2CC2)nc2ccccn12 31850569 ZEPBIEUHTFHLCW-UHFFFAOYSA-N 301.375 1.820 0 40 DDAB Cc1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)n1C 40520666 DKWJXWHVLRAVPL-AWEZNQCLSA-N 315.373 1.973 0 40 DDAB Cc1csc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 40506009 CSSZZUDEMPLNCE-ZETCQYMHSA-N 307.297 1.801 0 40 DDAB Cn1ncc(C(=O)NC2CCCC2)c1C(=O)NC1CCCC1 20616275 YJZSAOPAAQMGCJ-UHFFFAOYSA-N 304.394 1.765 0 40 DDAB C1=C[C@H]2C[C@H]1C[C@H]2CNC[C@]1(N2CCOCC2)CCSC1 101542551 VZXKIOHAIBOJKR-LUKYLMHMSA-N 308.491 1.996 0 40 DDAB CN(C)C(=O)c1cccc(NC(=O)CNC(=O)C(C)(C)C)c1 21202794 NJCPZOUAAFOWHX-UHFFFAOYSA-N 305.378 1.489 0 40 DDAB CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1N 383374 RBFNALJWLLKRGU-UHFFFAOYSA-N 313.404 1.444 0 40 DDAB COc1ccc2c(CC(=O)N3CC[C@H](C(N)=O)C3)coc2c1 41130365 KYCHWCLCKFTGLJ-JTQLQIEISA-N 302.330 1.318 0 40 DDAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(N)=O 53473564 VPVGBYCYRMEQHZ-SECBINFHSA-N 306.753 1.188 0 40 DDAB O=C(Nc1ncccc1O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 23082392 XQBWICGSHAJHHX-LLVKDONJSA-N 315.329 1.871 0 40 DDAB COc1cccc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1OC 42042527 UYQFGNCVOICYCI-GFCCVEGCSA-N 321.377 1.111 0 40 DDAB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 104733596 VWBCMAAYIUWOPL-WDEREUQCSA-N 302.378 1.915 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1-n1cnnn1 61721933 KTPPFXMZHQTIHN-CYBMUJFWSA-N 315.377 1.658 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 24089616 KISDQYIUMYINFH-YOEHRIQHSA-N 318.373 1.285 0 40 DDAB C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 78549744 ZAOCZNMDIJSDSC-NGFQHRJXSA-N 318.373 1.283 0 40 DDAB c1ccc(OCCN2CCO[C@@H](CNc3cccnn3)C2)cc1 78893485 NCCIXSGDVHCUDP-INIZCTEOSA-N 314.389 1.668 0 40 DDAB C[C@](O)(CNC(=O)/C=C/c1cccc(F)c1)CN1CCOCC1 78963991 BYVYCJQLWINLRN-RTRPANQVSA-N 322.380 1.038 0 40 DDAB O=C(N[C@H](c1nccs1)C1CC1)N[C@@H]1CC(=O)N(C2CC2)C1 79005159 UOXPBAHLXRVFEB-MFKMUULPSA-N 320.418 1.657 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1 24474068 CNVBFDSZXFFTPZ-UHFFFAOYSA-N 321.402 1.237 0 40 DDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CC(=O)O 2545941 SOSXJQKIIYOJPF-OLZOCXBDSA-N 309.362 1.958 0 40 DDAB Cn1ncc(I)c1C(=O)NC(C)(C)C 2736458 CUDRMIFWSXNDRZ-UHFFFAOYSA-N 307.135 1.553 0 40 DDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCc2ccccc21 34657436 SRAWRHVZGFTULN-UHFFFAOYSA-N 323.400 1.188 0 40 DDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccnc1-n1cccn1 25012555 FPOLPJAFAVJHSY-NWDGAFQWSA-N 313.361 1.368 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)cnn1C 25006698 BUGVUXWAPBTAJG-SECBINFHSA-N 311.345 1.456 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 1422500 DABVTTSIPRBHAZ-UHFFFAOYSA-N 310.419 1.585 0 40 DDAB CC[S@@](=O)c1ccccc1C(=O)Nc1cnc(N(C)C)nc1 95434657 KCTZKLYPYQDCPW-QFIPXVFZSA-N 318.402 1.922 0 40 DDAB CC(=O)N1CCCN([C@H]2CN(Cc3cc(C)no3)C[C@H]2C)CC1 108087425 JNMVKYLGDSKNJC-DYVFJYSZSA-N 320.437 1.358 0 40 DDAB Cn1cc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cn1 107731363 GMTRBYDZPCYKBM-CVEARBPZSA-N 301.394 1.613 0 40 DDAB COCCn1cc(C(=O)Nc2nc[nH]n2)c2ccccc2c1=O 95476170 LPMAXINPHVPXFY-UHFFFAOYSA-N 313.317 1.018 0 40 DDAB CN(C)c1nc(N)nc(COc2cccc3c2CCC[C@@H]3O)n1 58327531 ZLYUGVGMVHCDHD-LBPRGKRZSA-N 315.377 1.469 0 40 DDAB O=C(CN1CCCC[C@H]1Cc1ccccc1)N1CCNC1=O 58343559 ZKIUZAMJNOYYBY-HNNXBMFYSA-N 301.390 1.635 0 40 DDAB Cn1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1=O 45056131 HJECNHMFIVKZOP-UHFFFAOYSA-N 322.368 1.560 0 40 DDAB CCn1cc(C(=O)NCCOC)c(=O)c2cc(OC)ccc21 22235670 WSCPDGOUUMOEJF-UHFFFAOYSA-N 304.346 1.406 0 40 DDAB Cc1nc(COc2ccc(C(=O)O[C@@H]3CCOC3=O)cc2)no1 11261186 WLYQMXDVFIPZNS-GFCCVEGCSA-N 318.285 1.429 0 40 DDAB CC[C@H]1c2ccsc2CCN1CC(=O)NCCNC(C)=O 11473441 GYWMRVFGADVKSV-ZDUSSCGKSA-N 309.435 1.310 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)Cn2ccnc2)c1C 47931927 JDEZMHDNXRJNFB-VIFPVBQESA-N 304.350 1.433 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)Cc1cn(C)c3ccccc13)CC2 97198325 XBPFRDGRTGKXER-CQSZACIVSA-N 323.400 1.752 0 40 DDAB O=CN1CCC(OC(=O)c2c[nH]nc2-c2ccccc2F)CC1 97147615 DRBZJLZXUZWICH-UHFFFAOYSA-N 317.320 1.993 0 40 DDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(F)cc1F 3296368 WMHPZOCKZXSHOP-UHFFFAOYSA-N 300.261 1.356 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NC(C2CC2)C2CC2)cn1 48290062 XYOXSJRWJYHGKO-UHFFFAOYSA-N 309.391 1.795 0 40 DDAB COc1ccc(C)cc1CC(=O)NCC(C)(C)N1CCOCC1 48275366 HQDYPBLMAOMCFJ-UHFFFAOYSA-N 320.433 1.773 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)no1 3320795 VZRQXWDCPLQAMN-OAHLLOKOSA-N 322.365 1.668 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cn2ccc(C)cc2n1 48333256 QAESHNIPTZYHJD-GFCCVEGCSA-N 302.378 1.533 0 40 DDAB COc1ccc(OCC(=O)NCC(F)(F)F)c(C(=O)O)c1 13086803 MKIRIYCUGPMQTN-UHFFFAOYSA-N 307.224 1.451 0 40 DDAB C[C@H](C(=O)Nc1ccc(-c2csnn2)cc1)S(C)(=O)=O 48974008 IKKVMKJXGYJCLU-MRVPVSSYSA-N 311.388 1.577 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 13170923 WLNRQPUXMYPXPB-DIECRNLCSA-N 317.341 1.794 0 40 DDAB Cc1c(CC(=O)N(C)CC(=O)O)c(=O)oc2c(C)c(O)ccc12 3863605 BRVVEZXNAYKKPB-UHFFFAOYSA-N 319.313 1.201 0 40 DDAB biogenic Cn1nc(C(F)(F)F)cc1C(=O)NCCCn1cccn1 28227884 SDTIDLUAPXBSJY-UHFFFAOYSA-N 301.272 1.456 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469419 NLQPVUFNTZMJJK-GFCCVEGCSA-N 309.410 1.792 0 40 DDAB O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccnc1 4487436 BJLJQZCKJMMNSM-UHFFFAOYSA-N 317.776 1.824 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)c(C)c1 97235115 GIOLPDCLULBGLG-BBRMVZONSA-N 318.417 1.504 0 40 DDAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(CC)C2=O)cc1 14245317 CWYNAMUATNGODT-GUYCJALGSA-N 320.389 1.709 0 40 DDAB CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)N(C)C1=S 409040994 IWJWDQVLTAZJBY-XFFZJAGNSA-N 306.343 1.180 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@H]2C1 6673688 FNZMJXUBTZZSMS-UWVGGRQHSA-N 320.798 1.339 0 40 DDAB C[C@]1(NS(=O)(=O)c2ccccc2Cl)CCS(=O)(=O)C1 7304291 JXPRVHTYXCGEQH-NSHDSACASA-N 323.823 1.196 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N[C@H](Cc1ccccc1)C1CCCC1 71886558 QAFUJPCFTQTGFI-IUODEOHRSA-N 303.406 1.961 0 40 DDAB COCCc1nnc2sc(-c3ccc4c(c3)OCO4)nn12 8392685 BYPQZIRJTRMECR-UHFFFAOYSA-N 304.331 1.770 0 40 DDAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CN1CCCC1=O 8302938 CITJNOINVKJEHG-UHFFFAOYSA-N 323.780 1.359 0 40 DDAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCCC[C@H]1CC(N)=O 69461246 VXIUQRAFBUVNKN-MNOVXSKESA-N 323.418 1.123 0 40 DDAB Cc1cccc(NC(=O)CN(C)Cc2nnsc2Cl)n1 69442644 NREWHQBUYBMCJR-UHFFFAOYSA-N 311.798 1.965 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cc(Cl)c3c(c1)OCO3)C2 69484772 NRLYXNRYCLHCMA-UHFFFAOYSA-N 320.736 1.625 0 40 DDAB CCc1c(C(=O)NCCN(C)C(C)C)cnn1-c1ccccn1 69452643 BNIBQSOGKVQXBR-UHFFFAOYSA-N 315.421 1.900 0 40 DDAB CC[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CCO1 69440836 KKYHJKQWIIMDKZ-IRXDYDNUSA-N 316.401 1.597 0 40 DDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21 8429006 GXLCGPUMGWDGND-UHFFFAOYSA-N 311.297 1.470 0 40 DDAB Cn1c(N)c(-c2csc(-c3cccs3)n2)c(=O)n(C)c1=O 9691580 ZDJYQSNMPDFZDM-UHFFFAOYSA-N 320.399 1.518 0 40 DDAB CNC(=O)Cn1cc(Nc2ccnc(-c3ccccc3)n2)cn1 69744148 XCBHQQDSNJRPLR-UHFFFAOYSA-N 308.345 1.830 0 40 DDAB Cc1ccnc(NC(=O)CN(C)C(=O)/C=C/c2ccccn2)c1 69813959 MXCFBHXDJLJVSE-VOTSOKGWSA-N 310.357 1.895 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cccc2)c(F)c1 69814499 GAJYMBPPCLAKSZ-GFCCVEGCSA-N 322.361 1.533 0 40 DDAB O=C(CN(C[C@H]1CCCO1)C1CCCC1)Nc1nncs1 72716352 GDELNUVZHYTUEI-GFCCVEGCSA-N 310.423 1.900 0 40 DDAB O=C(Cc1ccsc1)NC[C@H](O)C(=O)OCc1ccccc1 95458580 ZBRLDZDMYORVEU-AWEZNQCLSA-N 319.382 1.511 0 40 DDAB O=C(C1CCC1)N1CCN(c2cc(NCC3CC3)ncn2)CC1 95442054 DMYRUCADLQSDQB-UHFFFAOYSA-N 315.421 1.747 0 40 DDAB Cc1cn(-c2ccccc2Cl)nc1C(=O)NCCNC(N)=O 95980905 SPNPXAVOIQASTC-UHFFFAOYSA-N 321.768 1.232 0 40 DDAB Cc1ccc2[nH]nc(C(=O)NCCNC(=O)C(C)(C)C)c2c1 95957896 NUFXYGXNYBLENU-UHFFFAOYSA-N 302.378 1.763 0 40 DDAB Cn1cnn(CC(=O)N(CC(C)(C)C)c2ccc(F)cc2)c1=O 95996598 DIVKYEPGMQASIO-UHFFFAOYSA-N 320.368 1.800 0 40 DDAB CS[C@H](CO)[C@@H](C)NC(=O)c1cncc(Br)c1 89598358 SXKXZLJNYRLJKC-GMSGAONNSA-N 319.224 1.686 0 40 DDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(Cc2ccno2)C1 89741311 SEQCLVMHBWEDCG-CYBMUJFWSA-N 316.409 1.387 0 40 DDAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21 75433470 TWNUGMROAIFYLY-UHFFFAOYSA-N 312.416 1.775 0 40 DDAB Cc1cc(OCC(=O)NCCc2nc(N)no2)ccc1C(C)C 76042539 MEECCEFSCZJEPF-UHFFFAOYSA-N 318.377 1.821 0 40 DDAB Cc1csc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c1 556702500 WPALSNCAKGVSTE-VHSXEESVSA-N 319.404 1.215 0 40 DDAB CC1(C)C(=O)Nc2cc(C(=O)NCc3cccc(O)n3)ccc21 556701456 BAYDICAJLLTJBZ-UHFFFAOYSA-N 311.341 1.947 0 40 DDAB Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(C3CCC3)n2)c[nH]1 524735762 XHKOSQJPGKXFES-UHFFFAOYSA-N 303.322 1.086 0 40 DDAB Cc1ccc(C(=O)NCCn2cccc2)c(-n2cnnn2)c1C 524735109 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O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCc2[nH]cnc2C1 225515562 YIQVRIJCAVHHSX-RYUDHWBXSA-N 313.357 1.471 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1Cl 195574206 NIYDPBGKENSXOW-VXGBXAGGSA-N 321.808 1.974 0 40 DDAB CCCc1nnc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)s1 136733325 AOKAACBBMXTPFA-NSHDSACASA-N 318.424 1.189 0 40 DDAB C[C@H]1CN(CC(=O)N2CCOCC2)c2cccc(Cl)c2O1 572886140 AGEVBZQYDBBTSY-NSHDSACASA-N 310.781 1.786 0 40 DDAB Cc1cc(N2CCC(NC(=O)c3csc(C)n3)CC2)n[nH]1 225750063 CTBMEPSWSMRUAN-UHFFFAOYSA-N 305.407 1.882 0 40 DDAB Cc1cc(CC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)no1 85264737 MTXBNLYGSAZTIU-UHFFFAOYSA-N 322.434 1.551 0 40 DDAB CCc1nn(C)c2[nH]nc(NC(=O)Cc3csc(C)n3)c12 96406463 ZMXQRBDFBOEJLI-UHFFFAOYSA-N 304.379 1.805 0 40 DDAB O=C(c1ccncc1)N1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 96072261 KOMCCKCZMHLXPS-DOTOQJQBSA-N 302.374 1.882 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1Cc2cccc(F)c2O1 96426259 ZWBJDHSAQHFJQQ-CHWSQXEVSA-N 308.353 1.406 0 40 DDAB COCC(=O)N1CCC2(CC1)CCN(c1ccc(C)nn1)CC2 96047358 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COCC[C@H](CO)NC(=O)N[C@@H](C)[C@H]1COc2ccccc21 252484846 GJJDRWYFKRYPTR-OUCADQQQSA-N 308.378 1.248 0 40 DDAB CCS(=O)(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 253494075 WIRZWCPAWSYCFV-LLVKDONJSA-N 314.432 1.370 0 40 DDAB CCCn1cc(Cl)c(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)n1 257245712 IQSPRYOXRJGJOO-GFCCVEGCSA-N 323.784 1.883 0 40 DDAB Cc1cc(N2CCC(c3nnc4n3CCN(C)C4)CC2)ncn1 257250379 JMHJBVLUMXMKIV-UHFFFAOYSA-N 313.409 1.206 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)CCO2)n1 257293588 QQHCJEKFCVYOLM-AWEZNQCLSA-N 317.393 1.591 0 40 DDAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)CN(C)C2CCCC2)n1 257217380 CYRZTYCTJKFPQM-HNNXBMFYSA-N 317.437 1.905 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccco1)n1cccn1 575605237 ORWSOMRFGGEDLG-ZDUSSCGKSA-N 313.361 1.846 0 40 DDAB CC(C)C(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 585095923 CMBOXORSCHNKDJ-AWEZNQCLSA-N 316.361 1.332 0 40 DDAB CC(=O)N1CCC[C@@H]1c1nccnc1NC1CCN(C)CC1 72365436 RGLLRIKUGKSPOA-CQSZACIVSA-N 303.410 1.666 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC 55048445 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C[C@H](OCC(F)(F)F)C(=O)NCc1cn2ccccc2n1 40093852 FIDSYGXMRSRKOH-VIFPVBQESA-N 301.268 1.918 0 40 DDAB C[C@@H](OC(=O)CCn1ccnn1)C(=O)c1c[nH]c2ccccc12 40490348 BMEGEHHXAWKTEE-LLVKDONJSA-N 312.329 1.964 0 40 DDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 101359541 KONWAFWYYOOUOD-KBUPBQIOSA-N 313.309 1.341 0 40 DDAB COc1cccc([C@]2(C)SC(NC(C)=O)=NN2C(C)=O)c1 201317 IPKYWEBWGFAQSW-AWEZNQCLSA-N 307.375 1.870 0 40 DDAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCNCC1 40861757 KAKGOLOMFKNQOE-UHFFFAOYSA-N 321.805 1.061 0 40 DDAB Cc1noc([C@@H](C)N2CCN(C(=O)c3ccsc3)CC2)n1 52240345 IRYTZWDVPHGHSA-SNVBAGLBSA-N 306.391 1.959 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1 32747903 PHNHXAAOLPOVCX-UHFFFAOYSA-N 322.386 1.768 0 40 DDAB CN1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 22030251 DMUNWHNYOOHRBQ-FUHWJXTLSA-N 304.434 1.689 0 40 DDAB Cc1ccc2c(c1)S[C@@H](C(=O)NCCCn1cncn1)C2 41862972 UVSXFMQYINQAPP-CQSZACIVSA-N 302.403 1.810 0 40 DDAB Cn1/c(=N\C(=O)[C@@H]2CC(=O)N(C3CC3)C2)sc2ccccc21 103718397 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1.678 0 40 DDAB CCN1CCN(c2ccc(NC(=S)NC(C)=O)cc2)CC1 6517659 ZPOXWSQJAMMSNL-UHFFFAOYSA-N 306.435 1.661 0 40 DDAB CCCCCNC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7091809 MMRNXZVXPATCQH-UHFFFAOYSA-N 317.345 1.386 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 7304277 QHGOXWNPQLMPBN-ZDUSSCGKSA-N 317.432 1.159 0 40 DDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(F)cc1)CS2 7345443 QXIWHECIEGLROK-IUODEOHRSA-N 308.378 1.896 0 40 DDAB CCc1cccc(C)c1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 25735763 NBBAWHDUCVXVGP-CYBMUJFWSA-N 310.419 1.273 0 40 DDAB CCCCNc1nc(Oc2ccc(O)nn2)nc(N(C)C)n1 8612900 GSUGOGIPIIGZDF-UHFFFAOYSA-N 305.342 1.438 0 40 DDAB C[C@H](Cn1cnc2ccc(Br)cc2c1=O)C(=O)O 35757019 PFJGFDPBWGPVND-SSDOTTSWSA-N 311.135 1.880 0 40 DDAB CC(C)NC(=O)CNC(=O)CCc1ncc(-c2ccccc2)o1 10076728 CESDGZWWDRUPOV-UHFFFAOYSA-N 315.373 1.915 0 40 DDAB CCn1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc21 44721945 SGRVRSCYIUWJKT-GFCCVEGCSA-N 320.414 1.826 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 52410419 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CC(=O)N1CCC(C)(c2nc(C)cc(C(=O)NC3CC3)n2)CC1 257281952 ORRBORMMNHARFH-UHFFFAOYSA-N 316.405 1.577 0 40 DDAB CC(C)C(=O)N1CC[C@@H](c2cn3nccc3c(N(C)C)n2)C1 257343520 ZTIGSRBENOVTJB-GFCCVEGCSA-N 301.394 1.767 0 40 DDAB CC(=O)N1CC2(CCN(c3ncccn3)CC2)C[C@H](O)C1(C)C 257343433 ZTAJNGNYVPOIDZ-AWEZNQCLSA-N 318.421 1.455 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257229677 FZCHGKUDSGPKSO-ZDUSSCGKSA-N 305.403 1.933 0 40 DDAB CC(=O)NC(C)(C)c1noc(C2CN(CC(F)(F)F)C2)n1 350521264 SMDHMYXQILKEJV-UHFFFAOYSA-N 306.288 1.402 0 40 DDAB C[C@@H](O)C(=O)Nc1ccc(I)cc1O 390833460 HWMLLYOVRJYLJB-RXMQYKEDSA-N 307.087 1.316 0 40 DDAB CCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccc(C)cn1 669371099 WENVLZIAERTVTQ-UHFFFAOYSA-N 323.345 1.317 0 40 DDAB CCCn1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)cn1 1553073130 XRPMLXZSMIVZOK-CQSZACIVSA-N 322.409 1.831 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2ccccc2c(=O)[nH]1 71830203 HXMIYOSXRFEONR-PWSUYJOCSA-N 313.357 1.254 0 40 DDAB Cc1cc(NC(=O)CCN2CCn3c(nnc3C3CC3)C2)no1 78787888 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CC(C)(C)NC(=O)CNC(=O)c1cc(Cl)c2c(c1)OCO2 6986266 LOYLTPLJZVSUOJ-UHFFFAOYSA-N 312.753 1.713 0 40 DDAB Cc1cc(N2C[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)ncn1 1888843437 ORVICJSJAKPOFM-HUUCEWRRSA-N 309.373 1.388 0 40 DDAB CCN=c1nc(N2CCN(c3cc(CC)ncn3)CC2)cc[nH]1 1888860118 GMXTZOHGZKNWHF-UHFFFAOYSA-N 313.409 1.009 0 40 DDAB CN(c1ncnc2ccc(F)cc12)C1CN(c2cnccn2)C1 1889149457 MNDLEQCZZVROIY-UHFFFAOYSA-N 310.336 1.884 0 40 DDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NOCc1ccccc1 25285295 DDVNQQYRAXAKNR-ZDUSSCGKSA-N 312.391 1.049 0 40 DDAB Cc1cc(CN(C)S(=O)(=O)c2ccc(C(=O)O)s2)no1 38058776 YVRNECIVXQPFLV-UHFFFAOYSA-N 316.360 1.563 0 40 DDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)NC(=O)N2 38488443 APWICSIDXCZQDH-GFCCVEGCSA-N 314.345 1.561 0 40 DDAB O=C(Cn1nc(C2CC2)ccc1=O)NCc1c(F)cccc1F 575620843 TYHKFAXVGNNDBT-UHFFFAOYSA-N 319.311 1.715 0 40 DDAB CN1CCc2cc([C@@H](O)CNC(=O)NC3CCOCC3)ccc21 225559022 XRPIACFWMOUUAO-INIZCTEOSA-N 319.405 1.191 0 40 DDAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cn1 31281630 QUKSFNFWJUFGNX-UHFFFAOYSA-N 317.389 1.101 0 40 DDAB Cc1cc(C)c2oc(=O)cc(CN3CCN(CCO)CC3)c2c1 20412492 CPNTXAVGHOOWSN-UHFFFAOYSA-N 316.401 1.520 0 40 DDAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)O 135766 MSAGTKRTMYZZFX-CYBMUJFWSA-N 317.341 1.957 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 31949830 AIUBLNLCTRQUDL-LLVKDONJSA-N 304.346 1.107 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1C 101179088 AENCPVQPEJKXHY-QWRGUYRKSA-N 306.362 1.546 0 40 DDAB CCc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)sc1C 32780693 FABLROVEJLLNMA-LLVKDONJSA-N 301.433 1.878 0 40 DDAB Cc1noc(C)c1CS(=O)(=O)CCC(=O)NC1CCCC1 52415908 SQEYLQUXUWCPMH-UHFFFAOYSA-N 314.407 1.655 0 40 DDAB C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N(C)CC(N)=O 52831580 JTORCXWIDMQAEM-SECBINFHSA-N 315.776 1.243 0 40 DDAB CN1CC[C@@H](C(=O)NC2CCN(c3ccccc3)CC2)CC1=O 53261531 WYWXDUNXSVANIX-CQSZACIVSA-N 315.417 1.640 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)NC1CCC(O)CC1 47622842 MJLWOSYINWRXGL-UHFFFAOYSA-N 318.421 1.785 0 40 DDAB C[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 24681817 UJRAYSBCUUBVOO-VIFPVBQESA-N 324.855 1.401 0 40 DDAB COC(=O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 1649101 QNGZEEFSBJSFMX-UHFFFAOYSA-N 320.370 1.687 0 40 DDAB Cc1nc(NC(=O)c2ccc[nH]c2=O)sc1-c1nccn1C 24924301 NQMZVPBTQYFHDX-UHFFFAOYSA-N 315.358 1.793 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 3330162 BNFMNNDSGNXRJQ-LLVKDONJSA-N 322.386 1.090 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 1326076 GSGKCTLGBNTCNK-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB CN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 25131422 ZIRITSYOEXMTPY-UHFFFAOYSA-N 315.373 1.904 0 40 DDAB NC(=O)NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 55855512 GNCOPOFSTMMPOS-OAHLLOKOSA-N 301.321 1.700 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4652626 WGGDZVMAHDSLOT-IFFSRLJSSA-N 321.354 1.996 0 40 DDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)cc1C 4664452 YIJQTZZRXLLESI-GVAFMPQTSA-N 311.337 1.587 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnn(C)c1 25311204 XJUZVVDXCYXHLY-CQSZACIVSA-N 300.362 1.813 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ncc(Cl)cc1Cl 6643466 LEGQFXZYJWFBNU-UHFFFAOYSA-N 319.177 1.643 0 40 DDAB NC(=O)COc1ccc(C(=O)OCCOc2ccccc2)cc1 7581127 RKZKSNRMNYYCKA-UHFFFAOYSA-N 315.325 1.787 0 40 DDAB COCCNC(=O)NC(=O)CSc1nc2ccccc2n1C 8719647 JFRYFAIQVDQKLH-UHFFFAOYSA-N 322.390 1.138 0 40 DDAB Cc1ccc([C@@H](CNC(=O)c2ccc(=O)n(C)n2)N(C)C)cc1 58161169 FBGLPGCWZRXTJE-OAHLLOKOSA-N 314.389 1.121 0 40 DDAB CCCc1c(C(=O)NC2=NCC(O)=N2)[nH]c(C)c1C(=O)OC 58281862 CQRJXOOAKWALSU-UHFFFAOYSA-N 306.322 1.118 0 40 DDAB Cc1ccc(NC(=O)N2CCC(C(=O)NCCO)CC2)cc1 58244399 UMLFVFQCJMJRRA-UHFFFAOYSA-N 305.378 1.347 0 40 DDAB CC(=O)N1CCC(NC(=O)c2c(Cl)nc3ccccn23)CC1 44966928 DPZYQSRWKXMNJZ-UHFFFAOYSA-N 320.780 1.728 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 44975124 KFQICCLTELLHJH-YPMHNXCESA-N 320.393 1.331 0 40 DDAB CCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC 20448825 AOSPITYKMHXPHT-NSHDSACASA-N 310.419 1.927 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2ccccn12 58393361 FRVOYEHFSHSMQI-LBPRGKRZSA-N 313.409 1.688 0 40 DDAB Cn1nc(C(=O)OCc2nc3ccccc3s2)ccc1=O 22525700 GRZLAMLHTBDLQD-UHFFFAOYSA-N 301.327 1.747 0 40 DDAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc[nH]n1 48033138 OKGXLPAFMYBUJD-CQSZACIVSA-N 315.329 1.167 0 40 DDAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCOCC2)cc1 28855609 RGTJAHQUYVBASA-NSHDSACASA-N 308.403 1.984 0 40 DDAB C[C@H]1CN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@@H](C)O1 45790859 HYQJMXNHCYNNRE-TXEJJXNPSA-N 303.362 1.466 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccccc1C 29149107 AAOKJZMEOXZMBX-CYBMUJFWSA-N 307.394 1.540 0 40 DDAB O=C(CC[C@H]1CCCO1)NCc1ccnc(N2CCOCC2)c1 29344875 URMZLTAMPWUARD-OAHLLOKOSA-N 319.405 1.494 0 40 DDAB O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccccc1F 105330648 XHSXIGAWLHPGST-IUODEOHRSA-N 320.364 1.695 0 40 DDAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)NCc1ccco1 103137846 AGUOKTCOMUSUOM-VXGBXAGGSA-N 319.357 1.834 0 40 DDAB c1csc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 107746710 JYUCUCVENFJMST-UONOGXRCSA-N 316.430 1.876 0 40 DDAB Cn1ccs/c1=N\C(=O)CNC(=O)/C=C/c1ccccc1 58356470 QLBOSHILQQGOMD-WQAVRPGKSA-N 301.371 1.344 0 40 DDAB O=C(NCc1ccccc1Cn1cccn1)NC[C@@H]1CCOC1 48287946 QMEZRSBXYYDQOB-AWEZNQCLSA-N 314.389 1.767 0 40 DDAB COc1cccc(CC(=O)NCCCCN2CCOCC2)c1 48286000 AUHGUAPVKZBJCG-UHFFFAOYSA-N 306.406 1.466 0 40 DDAB c1cc(CNCc2ccc(-n3cncn3)nc2)c2c(c1)OCO2 48301104 QTLQPVAUPQICAT-UHFFFAOYSA-N 309.329 1.681 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(CC(N)=O)Cc2ccco2)c1 3426004 SCDFPIDFDZLDRS-UHFFFAOYSA-N 322.386 1.573 0 40 DDAB CCNC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3555248 INVWZJKQCTVEJH-UHFFFAOYSA-N 313.353 1.602 0 40 DDAB COc1ccc(CC(=O)N2CCC[C@@H](C(=O)O)C2)c(OC)c1 13171313 WXWXKNRCNISTNH-GFCCVEGCSA-N 307.346 1.570 0 40 DDAB COC(=O)Cc1ccc2c(c1)NC(=O)[C@@H](CCOC(C)=O)O2 4038035 VCVPFQGHDAEGIG-CYBMUJFWSA-N 307.302 1.055 0 40 DDAB COc1ccc([C@@H]2CCCN2CCCC(=O)NC(N)=O)cc1 64431356 LHJVHGXTVTZUCC-AWEZNQCLSA-N 305.378 1.807 0 40 DDAB CCOC(=O)c1nnn(-c2ccccc2OC)c1C(=O)OCC 4316142 OSOBZLUWACBHNU-UHFFFAOYSA-N 319.317 1.629 0 40 DDAB CN1CCCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 65440651 WITZANZDLFNXRC-UHFFFAOYSA-N 305.378 1.305 0 40 DDAB CC(C)[C@@H](CNC(=O)c1cc(C2CC2)on1)N1CCOCC1 65410536 ACRCFTSPZXLUOG-CQSZACIVSA-N 307.394 1.639 0 40 DDAB CN(C)[C@@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 65415440 OCGWULHRAMGXAR-ZDUSSCGKSA-N 305.403 1.329 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cn2cccnc2=O)o1 65453839 GBBQRAHPWKSQAQ-AAEUAGOBSA-N 301.346 1.618 0 40 DDAB O=C1OC(c2ccccc2)=N/C1=C\NCCCN1CCOCC1 24171508 NJEXEQWZLJCXJY-SQFISAMPSA-N 315.373 1.143 0 40 DDAB C[C@@H](Nc1ccc2nnnn2n1)c1ccc(-n2cncn2)cc1 14136102 VXSZCZDLJDXWOX-SNVBAGLBSA-N 307.321 1.273 0 40 DDAB CN(C)CCCNc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1 9304195 UKLIOYKEXJMDBV-UHFFFAOYSA-N 321.812 1.773 0 40 DDAB Cc1cc(CN2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)no1 95402314 JWOCWVMRFNLBOX-AWEZNQCLSA-N 317.393 1.950 0 40 DDAB CNC(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1 6553109 ZXHVGYQQQMBINJ-UHFFFAOYSA-N 312.753 1.139 0 40 DDAB NC(=O)[C@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1 71793248 LQOIBBCKBVGKMB-QGZVFWFLSA-N 322.368 1.769 0 40 DDAB CS(=O)(=O)c1cc(F)ccc1N1CCCC[C@H]1C(=O)O 15443182 KJTREUDOCPYOMV-NSHDSACASA-N 301.339 1.673 0 40 DDAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(N)=O)c1C 9530699 ZGKSZCKIEXBIQT-UHFFFAOYSA-N 312.391 1.992 0 40 DDAB C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(S(C)(=O)=O)cc1 16109569 VCXVWMIEEUJGPB-SNVBAGLBSA-N 307.375 1.315 0 40 DDAB CN(C)C1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 71851669 YUPMIGJESKEUIE-UHFFFAOYSA-N 312.417 1.967 0 40 DDAB CCc1nnc(S(=O)(=O)Cc2csc(C(C)C)n2)n1C 71888599 GUMLQKCIIWMCLX-UHFFFAOYSA-N 314.436 1.931 0 40 DDAB CC(=O)N1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 16444065 OYIQECLKIOBREY-GJZGRUSLSA-N 317.433 1.807 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)c1cnc2c(C)cccn2c1=O 91029753 RQHWVKAMSDDKRJ-ZDUSSCGKSA-N 315.373 1.644 0 40 DDAB Cc1nnc2ccc(N3CCN(C[C@@H]4CCCCO4)CC3)nn12 71863710 ASAUCZFKDVTUGB-AWEZNQCLSA-N 316.409 1.124 0 40 DDAB CCOc1ccc(CN2C[C@@H](C(=O)O)CC2=O)cc1OCC 8016636 OIGCGAAYKKTIRH-LBPRGKRZSA-N 307.346 1.917 0 40 DDAB CN1C(=O)CN(NC(=O)c2cc3c(s2)CCCCC3)C1=O 95456619 RAQHHSZJTINKHD-UHFFFAOYSA-N 307.375 1.556 0 40 DDAB O=C(NC1CCS(=O)(=O)CC1)c1ccnc2ccccc12 71957862 FJFQQRKSILJIFP-UHFFFAOYSA-N 304.371 1.542 0 40 DDAB Cn1cnnc1CCNC(=O)c1ncoc1-c1cccs1 71900212 UQYVSNORJTVUAY-UHFFFAOYSA-N 303.347 1.504 0 40 DDAB CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(C)nn(C)c1Cl 69656699 OVXZSXYHOAEAEV-SECBINFHSA-N 322.862 1.391 0 40 DDAB CCOCCN1CCN([C@@H](C)C(=O)N2CCCC2)C[C@@H]1CC 69701352 OMUHSNSZBQXLFE-HOTGVXAUSA-N 311.470 1.430 0 40 DDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccncc1)C2=O 18023452 VLDHVDSWLSFJGC-UHFFFAOYSA-N 302.334 1.227 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 92770633 LNSBJHAZXMIRHP-AWEZNQCLSA-N 324.446 1.504 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 8945687 ULEDOMDAIJHGFD-UHFFFAOYSA-N 318.398 1.867 0 40 DDAB CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccn(CC(F)(F)F)n1 97148565 UNQSOUCZTQKUNI-QMMMGPOBSA-N 321.303 1.480 0 40 DDAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CN1CCCC1=O)C2 97199264 MSLHUPFTWOLLJW-GFCCVEGCSA-N 318.421 1.234 0 40 DDAB O=C(CCn1nc2ccccn2c1=O)Nc1c(O)cccc1F 72304103 DCALBRVLMLHBIE-UHFFFAOYSA-N 316.292 1.370 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C1CCN(C(C)=O)CC1 88269404 JRVCRSGUTBQFJG-CABCVRRESA-N 324.421 1.483 0 40 DDAB CCc1nc(NCCCS(N)(=O)=O)c2ccsc2n1 95975908 GWSYPMSSGHQVPX-UHFFFAOYSA-N 300.409 1.344 0 40 DDAB COc1ccccc1/C=C/CNCC1(C(N)=O)CCOCC1 86250605 NBDBCVJVEDMBRY-GQCTYLIASA-N 304.390 1.580 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(CCc3ccncc3)CCO2)n1 75133059 QSVXMQHIFKUACT-INIZCTEOSA-N 301.394 1.233 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 75136693 PQZNDXPSIDXFQU-XVJNWHFHSA-N 322.430 1.535 0 40 DDAB Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cccn(C)c1=O 76070778 NRAHMDPOAQPQBA-SECBINFHSA-N 304.350 1.743 0 40 DDAB CCc1cnc(CCNC(=O)Nc2cccn(C)c2=O)s1 76070593 ZRBHDORJLGCZLV-UHFFFAOYSA-N 306.391 1.768 0 40 DDAB Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCN(C)CC1 20489714 MMAGKLNXUDODBP-MRXNPFEDSA-N 319.449 1.516 0 40 DDAB COC(=O)C12C[C@@H]3C[C@@H](CC(NC(=O)c4cnccn4)(C3)C1)C2 38680129 BEOMDFHLAWISPG-GKUGFIGPSA-N 315.373 1.718 0 40 DDAB COc1ccc(-c2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1 36293926 ABJHIYYOLIFZLZ-UHFFFAOYSA-N 321.354 1.725 0 40 DDAB C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 78447577 GPWMJEZTXKNPHM-ZFWWWQNUSA-N 317.389 1.218 0 40 DDAB CNC(=O)c1cccc(CCNC(=O)Cc2ccccc2O)c1 77617040 LVDDPEQYMQEYMT-UHFFFAOYSA-N 312.369 1.653 0 40 DDAB COc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)cc1OC 72324791 ZZNORGIHCLYKFO-BPLDGKMQSA-N 306.406 1.343 0 40 DDAB Nc1cc(S(=O)(=O)NCC2CCOCC2)ccc1Cl 42784088 HFPFXHCCYQDNPF-UHFFFAOYSA-N 304.799 1.627 0 40 DDAB Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)n1 76500816 LCPCYBJCMRFDBW-KGLIPLIRSA-N 310.419 1.818 0 40 DDAB O=C1CNc2ncnc(Nc3ccc(-n4cccn4)cc3)c2N1 41121461 JONYVZYWKFAPFE-UHFFFAOYSA-N 307.317 1.770 0 40 DDAB CC(C)(C)OC[C@H](O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 43741148 SKKYDNDIAARCMO-QLFBSQMISA-N 320.433 1.443 0 40 DDAB biogenic O=C([C@H]1CCCN1)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 195554631 IPDIYZKVICRARH-QWHCGFSZSA-N 309.797 1.857 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 572819704 XTKSUZKGMXIOFN-FRRDWIJNSA-N 313.806 1.747 0 40 DDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 229800490 YMWFHSQAAOPGHO-MQYQWHSLSA-N 313.309 1.306 0 40 DDAB CC(C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225949730 SNRJVUCROLZIIN-LBPRGKRZSA-N 318.826 1.845 0 40 DDAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCCS(C)(=O)=O)C1 96415354 IQYHAWZTTRRGPR-UONOGXRCSA-N 324.446 1.927 0 40 DDAB CCOc1ccc([C@@H](N)c2n[nH]c(COC)n2)cc1OCC 95534559 KRQFNWHWIYKQHS-CQSZACIVSA-N 306.366 1.797 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 96061138 SNYSWELHLYCJJX-HNNXBMFYSA-N 303.406 1.683 0 40 DDAB CCc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)o1 96183898 IRDSYLWUHGDTSM-LSDHHAIUSA-N 319.405 1.105 0 40 DDAB O=C(N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21)c1ccnnc1 96065188 WNGDKXDGIYPEDT-IMJJTQAJSA-N 316.405 1.238 0 40 DDAB Cc1ccc(NC(=O)NCC(=O)N(C)C)cc1OCC(F)F 96403319 RABVYTXUNMESBF-UHFFFAOYSA-N 315.320 1.849 0 40 DDAB CC(C)NC(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 96261230 FCNBKFJQRGMFHU-AWEZNQCLSA-N 316.405 1.638 0 40 DDAB CC(=O)N1CC2(CCN(C(=O)CO)CC2)c2cc(C)ccc21 96241375 YQLHEMIAYYJBES-UHFFFAOYSA-N 302.374 1.214 0 40 DDAB CC(C)NC(=O)[C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21 96040712 MKHQOSAHVYCGDR-OAGGEKHMSA-N 303.406 1.301 0 40 DDAB Cc1nc([C@H](NC(=O)c2ncccc2O)c2ccccc2)n[nH]1 97102449 WRNKKHQNRSXJJS-CYBMUJFWSA-N 309.329 1.733 0 40 DDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1 96199728 HMLSNAJWNRUADT-CQSZACIVSA-N 324.384 1.688 0 40 DDAB CN1C[C@@H]2Oc3cc(-c4cccnc4)ccc3C(=O)N(C)[C@@H]2C1 514290146 SSWPGZBFTPVMEN-WBVHZDCISA-N 309.369 1.896 0 40 DDAB biogenic,in-vitro CN(C)Cc1cn2c(n1)CN(C(=O)Cc1cccs1)CC2 96197165 DWZQYWQUEYLLEX-UHFFFAOYSA-N 304.419 1.591 0 40 DDAB O=C(c1ccco1)N1C[C@@H]2CCN(CCN3CCCC3)C[C@@H]2C1 96246190 ARQKDFGIHXKBJW-JKSUJKDBSA-N 317.433 1.769 0 40 DDAB COCCN1CCC2(CCN(Cc3nccs3)CC2)C1=O 96046793 XOCZUCYVAQOHOK-UHFFFAOYSA-N 309.435 1.604 0 40 DDAB COc1cccc(NC(=O)CCNC(=O)c2ccnn2C)c1 96192375 QHYVLYNFFKHVAB-UHFFFAOYSA-N 302.334 1.187 0 40 DDAB CN1CC[C@@H](COCC2CC2)CC12CN(c1ncc(F)cn1)C2 248143366 QZZGLYSFGLRPAE-CQSZACIVSA-N 320.412 1.943 0 40 DDAB COCCN1CN(C(=O)NC[C@H](C)c2cccc(C)c2)CC1=O 252500240 SPYWNAZCGGTSGR-AWEZNQCLSA-N 319.405 1.556 0 40 DDAB Cc1nccc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257235744 GZEUUORGIAKFAV-OAHLLOKOSA-N 324.450 1.346 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 257243927 IJDLOBFQHPHOLK-LBPRGKRZSA-N 324.344 1.149 0 40 DDAB Cc1nccc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257303250 SGJWOXSVVNGLSM-AWEZNQCLSA-N 308.345 1.805 0 40 DDAB CC(C)(C)c1nc(C(=O)Nc2cnn(CC(=O)O)c2)cs1 647744602 GPUNRKOFPPBYET-UHFFFAOYSA-N 308.363 1.974 0 40 DDAB CN1CC2(CCC1=O)CCN(C(=O)Cc1ccccn1)CC2 585102140 AKFVGCSRMMCGLI-UHFFFAOYSA-N 301.390 1.485 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cncc(C)c1)[C@H](C)C2 585097167 GIYILILQGZFVEI-GFCCVEGCSA-N 315.377 1.215 0 40 DDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)C2CCCC2)no1 1775963995 MZKUAKQJPHGURG-NSHDSACASA-N 306.366 1.559 0 40 DDAB biogenic,in-vitro O=C(NC1CN(c2ncnc3ccsc23)C1)[C@H]1CCCCO1 1776009319 DECJBKBLHYUEGI-GFCCVEGCSA-N 318.402 1.565 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@H]1C[C@H]1C 75121644 JIKBGTHGZCMZQK-ZYHUDNBSSA-N 312.373 1.455 0 40 DDAB CCCn1c(C)c(C(=O)N[C@@H](C)C(N)=O)c2cc(OC)ccc21 78244823 UWFJKPZRMBGYMN-JTQLQIEISA-N 317.389 1.972 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 79019024 IEFPFUSOIDNDHS-CYBMUJFWSA-N 321.402 1.322 0 40 DDAB CSC1=NCCN1C(=O)c1cc(Br)cn1C 79018436 PSADDDRUITYBSR-UHFFFAOYSA-N 302.197 1.962 0 40 DDAB O=C1CNC(=O)N1CCCNc1ccc(Br)cn1 89794188 CDVGLTIIONOTBX-UHFFFAOYSA-N 313.155 1.198 0 40 DDAB Cc1nnnn1CC(=O)NCc1ccccc1COC(C)C 95965706 KONBOEQKFHYTDT-UHFFFAOYSA-N 303.366 1.223 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 96006770 MOJBGUOBUIHDCG-LSDHHAIUSA-N 323.414 1.754 0 40 DDAB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 1576008 XCHVIDSCZYPFTR-YPMHNXCESA-N 322.361 1.671 0 40 DDAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1O 2401615 QWWSZPTWYZUJMQ-IZZDOVSWSA-N 323.326 1.912 0 40 DDAB CS(=O)(=O)N1CCc2cc([C@@H](O)CN3CCCC3)ccc21 12146841 JIVFXBISQMVEIL-HNNXBMFYSA-N 310.419 1.138 0 40 DDAB Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CC3)n2)c(C)o1 12183785 NBSPNTCXGUZQIQ-SECBINFHSA-N 316.361 1.542 0 40 DDAB Cn1ccnc1N1CCN(C(=O)COc2ccccc2)CC1 12444490 ICUBGENRMAJQMW-UHFFFAOYSA-N 300.362 1.148 0 40 DDAB CCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12899428 IBBCXSALDAJWTH-UHFFFAOYSA-N 301.346 1.248 0 40 DDAB biogenic CCOCCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 17401214 JDOPLYKLFCPXFB-UHFFFAOYSA-N 314.407 1.093 0 40 DDAB Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@H](c1cccs1)CC3=O 19973964 KMKDUDKEGAUGBE-ZETCQYMHSA-N 312.354 1.875 0 40 DDAB Cn1cnc(CN2CCO[C@@](CO)(Cc3ccccc3)C2)c1 643913524 AJKJASKPPNUHIX-KRWDZBQOSA-N 301.390 1.226 0 40 DDAB O=C(OCCn1nc2ccccn2c1=O)c1ccc(F)c(F)c1 30741090 UFXRSZIDWJAZIJ-UHFFFAOYSA-N 319.267 1.631 0 40 DDAB O=C(CNC(=O)c1ccccc1)NCc1nc2ccccc2[nH]1 560685 NLIGGONAQOIPEZ-UHFFFAOYSA-N 308.341 1.609 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCCCN1CCC[C@@H](C)C1 4968830 ZCPQHJPLJVKIHI-LLVKDONJSA-N 315.439 1.692 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc21 17180086 YHNYYVSITJUVQY-UHFFFAOYSA-N 302.721 1.666 0 40 DDAB O=C(Cn1cccc1)NCc1nc(-c2cc(C3CC3)on2)no1 238955152 XUOMDTXVLDQTPR-UHFFFAOYSA-N 313.317 1.720 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)CCc1ccc[nH]1)C2 1565547286 NIKUZPCZGFBRMA-DOTOQJQBSA-N 306.406 1.991 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)CC3(OC)CCC3)CC[C@@H]2C1 1565553117 LBUWPGSZFRPZOM-CABCVRRESA-N 310.438 1.515 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(F)cc1 10332665 FGJODSUWKUNOJN-OAHLLOKOSA-N 321.396 1.603 0 40 DDAB CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 12169743 AGPYFBLFNUXLLL-UHFFFAOYSA-N 301.302 1.209 0 40 DDAB Cc1nnc2ccc(N3CCC(Oc4nccs4)CC3)nn12 2086889250 VWOZFMPTEXGVPO-UHFFFAOYSA-N 316.390 1.937 0 40 DDAB O=c1cccnn1CC1CN(c2cc(C(F)(F)F)ncn2)C1 585602220 USSWIJGLOKGGNB-UHFFFAOYSA-N 311.267 1.189 0 40 DDAB C[C@H]1CN(c2ncc(Cl)cn2)CCN1Cc1cnn(C)c1 2298028476 BBMIJXOKWJLQNE-NSHDSACASA-N 306.801 1.574 0 40 DDAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(C)C1=O)C3 100257922 BXRYGYIQEUOTHD-OAHLLOKOSA-N 313.357 1.292 0 40 DDAB biogenic COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 39379 GEMKYLLRPDMBTH-CYBMUJFWSA-N 306.318 1.505 0 40 DDAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(C2CC2)C1 40498654 MTSUQDSAQXLRHS-LLVKDONJSA-N 311.345 1.217 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1[nH]ncc1-c1ccccc1 20616624 JZFPAQJLQJONMG-UHFFFAOYSA-N 311.301 1.761 0 40 DDAB CCc1cc(NC[C@H](C(C)C)N2CCOCC2)n2ncnc2n1 51650579 RDESRDJZIBNLNW-CQSZACIVSA-N 318.425 1.455 0 40 DDAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 101508953 FMHZTEAQMFBNSQ-HOCLYGCPSA-N 322.320 1.988 0 40 DDAB Cc1cc(N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)n2ncnc2n1 101903650 DVKAOGHHQGOHGO-JYJNAYRXSA-N 324.432 1.767 0 40 DDAB CCOC(=O)c1cnc(N2CC[C@@H](N3CC=CC3)C2)nc1C 102001112 DRGBGTRQYHESNX-CYBMUJFWSA-N 302.378 1.412 0 40 DDAB CCc1nnc(CN2CCN(C(=O)c3ccsc3)CC2)o1 52239220 GPWIUCGEVMSXLY-UHFFFAOYSA-N 306.391 1.652 0 40 DDAB CCN(C(=O)/C=C/c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 32902349 ZLBSIHXROIMWLU-VFNNOXKTSA-N 323.414 1.744 0 40 DDAB COc1ccc(Cl)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@H]21 32912471 UJCOQNXQXUPZJO-GZMMTYOYSA-N 315.778 1.499 0 40 DDAB CCN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)NC1=O 103279871 BMDKHHQSHPALDC-JTQLQIEISA-N 315.156 1.871 0 40 DDAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 22616318 DQZQJBZJRLUHEJ-CYBMUJFWSA-N 314.345 1.308 0 40 DDAB Cc1cnc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cn1 22700179 SQIZCBLHHXBLFF-UHFFFAOYSA-N 315.358 1.355 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H]1COc2ccccc2O1 22967278 NSZYDCJFLICXAA-ZDUSSCGKSA-N 315.373 1.536 0 40 DDAB CCOC(=O)c1c(I)cnn1[C@@H](C)CN 1857793258 AVIFAQWFTVTYHC-LURJTMIESA-N 323.134 1.184 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 47534623 GANGOUZEUNKGEZ-ZETCQYMHSA-N 300.318 1.952 0 40 DDAB O=C(NCCCO)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12407898 ZRSVRAMBAMPGDX-UHFFFAOYSA-N 315.251 1.868 0 40 DDAB CCc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OC)[C@@H]4C2=O)cc1 538175 ARUOVFFUDMTDCH-AFIMGQEJSA-N 313.353 1.708 0 40 DDAB Cc1nnc(CN2CCN(CCOc3ccccc3)CC2)o1 61781641 JWUUQVDOVUSBCR-UHFFFAOYSA-N 302.378 1.575 0 40 DDAB CC(C)(CO)NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 814886 BPRAYNSUVCUYIQ-LLVKDONJSA-N 314.744 1.859 0 40 DDAB CCN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)n1N 1291453 VPJIVONPOJEPEQ-UHFFFAOYSA-N 319.434 1.928 0 40 DDAB CN1CC[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1=O 78845116 WCGDRYHCWDVSRT-NSHDSACASA-N 300.280 1.595 0 40 DDAB COCCNC(=S)NCCc1cc(F)cc2c1OCOC2 54946126 GUWJLWKMEKMXTM-UHFFFAOYSA-N 314.382 1.345 0 40 DDAB CCOC(=O)C(Cc1cccc(NC(C)=O)c1)C(=O)OCC 1679117 XLFCZJVZAJMHTR-UHFFFAOYSA-N 307.346 1.930 0 40 DDAB CCCCNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 1760558 PSUXUHBQSMBANN-UHFFFAOYSA-N 301.320 1.161 0 40 DDAB NC(=O)[C@@H](SCC(=O)O)c1ccc(Br)cc1 3299626 NIUUMLABKDFJTH-VIFPVBQESA-N 304.165 1.793 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4151624 FCUNYDGWNHWKIE-URBCHYCLSA-N 301.298 1.846 0 40 DDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(C(=O)OC)c1 25261769 XZKBPRAXHOCELT-CABZTGNLSA-N 307.350 1.495 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)CN1CCN(C)C[C@H]1C 107580654 IVJIJGZNBRVYMS-MRXNPFEDSA-N 319.449 1.434 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)c1cn(CCOC)c2ccccc12 57429786 OGDOHZTUAIILNZ-GFCCVEGCSA-N 317.389 1.542 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc2c(c1)OCO2 102631194 IMQGQNAGJKXOCM-TXEJJXNPSA-N 313.309 1.549 0 40 DDAB C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc2c(c1)OCCO2 44576370 FHQYJPSSYXUSEK-GHMZBOCLSA-N 302.334 1.488 0 40 DDAB O=C(COC(=O)c1ccco1)NCc1ccc2c(c1)OCO2 3234848 RVJHQTCICLSYIL-UHFFFAOYSA-N 303.270 1.482 0 40 DDAB CC[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCO1 44866575 RGUWTVNVRKETLG-JTQLQIEISA-N 307.375 1.095 0 40 DDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCCOc1ccc(F)cc1 58280694 YYKOAEXTKJBJOD-IUODEOHRSA-N 322.380 1.873 0 40 DDAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(O)=Nc2nncn21 44901195 SUDGAMYGDYTAIF-SSDOTTSWSA-N 311.223 1.867 0 40 DDAB Cc1cc(C)c(NC(=O)CN2CCCC[C@H]2C(N)=O)c(C)c1 9953807 FTAKYDXZTWTRHI-AWEZNQCLSA-N 303.406 1.890 0 40 DDAB C[C@@H](O)CNC(=O)C1CCN(Cc2nnc(C(C)(C)C)o2)CC1 44951019 AZHHQUCYQDVSIY-LLVKDONJSA-N 324.425 1.076 0 40 DDAB CN1N=C(c2ccc(-n3cncn3)cc2)C[C@H]1c1cnn(C)c1 58325261 JGYBXTMXQAQZBI-INIZCTEOSA-N 307.361 1.782 0 40 DDAB Cn1c(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)cc(=O)n(C)c1=O 58429414 IRQTXAUIPUGTFH-UONOGXRCSA-N 307.438 1.779 0 40 DDAB CCOc1ccc(N[C@@H]2SC(=O)N(CCC(=O)O)C2=O)cc1 2269406 JEHMBDKZBCHLAV-GFCCVEGCSA-N 324.358 1.993 0 40 DDAB CSCC(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 108536046 SDNDCJOHZGTOTA-UHFFFAOYSA-N 310.463 1.991 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2ccc(F)c(F)c2F)CC1 36408755 LORXTHLNAPJKGN-UHFFFAOYSA-N 315.295 1.207 0 40 DDAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(F)cc2)C1=O 11593454 AJUQMVIHHFECMO-UHFFFAOYSA-N 307.325 1.875 0 40 DDAB COCCN1CC2(CCC1=O)CCN(C(=O)C1CC=CC1)CC2 108530623 HMEHNEUTHZSOLS-UHFFFAOYSA-N 320.433 1.830 0 40 DDAB CC(=O)N(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 46181432 AUQUQRFPGRZVMI-UHFFFAOYSA-N 300.362 1.906 0 40 DDAB C[C@@H]1COCCN1C(=O)CCN1C(=O)CSc2ccccc21 46256630 WUDHTBGLRZGKDK-GFCCVEGCSA-N 320.414 1.763 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCC[C@H]2c2ccsc2)CC1=O 46914372 JPVDGFONOILYPV-KBPBESRZSA-N 322.430 1.907 0 40 DDAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207302 JRFXUFYPJWVTMV-UHFFFAOYSA-N 314.407 1.184 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 3357602 DDGMJSYGYXKMGR-CQSZACIVSA-N 317.389 1.456 0 40 DDAB CC(C)c1noc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 84631137 HZEGUOMSTQKRTH-HNNXBMFYSA-N 321.381 1.098 0 40 DDAB CC(=O)c1cccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 3428343 VKTUWTJUXOZZPH-UHFFFAOYSA-N 303.318 1.158 0 40 DDAB COc1ccccc1CNC(=O)Cn1c(=O)oc2ccccc21 3517258 VCJISDKULJCWOB-UHFFFAOYSA-N 312.325 1.920 0 40 DDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13004972 MVWJKRHEWNZRHL-CQSZACIVSA-N 318.354 1.128 0 40 DDAB COC(=O)Cn1ncc2c(N3C[C@H]4CCC[C@@H]4C3)ncnc21 95410692 ZSQVTXHSSRMWIA-GHMZBOCLSA-N 301.350 1.236 0 40 DDAB COC(=O)[C@H](NC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1F 95446427 KDFQDRUHNFNLNX-CQSZACIVSA-N 323.299 1.569 0 40 DDAB Cc1cc(NC(=O)NCCS(N)(=O)=O)ccc1OC(C)C 95454990 WFWYPQHQLUGSOR-UHFFFAOYSA-N 315.395 1.192 0 40 DDAB C[C@@H]1CN(CN2C(=O)C(=O)c3cc(Cl)ccc32)C[C@@H](C)O1 14136770 FDIHCVBQWDGQLS-NXEZZACHSA-N 308.765 1.936 0 40 DDAB Cc1ccc(N2C(=O)N(CN3CCO[C@H](C)C3)C(=O)[C@H]2C)cc1 14141641 HWTWPNGXSCLBQB-ZIAGYGMSSA-N 317.389 1.830 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)[C@H]1CCCO1 14221046 SZEYEKILDFFQCL-WCBMZHEXSA-N 313.404 1.537 0 40 DDAB COc1ccc(CCNS(=O)(=O)N2CCCCCC2)cc1 14850245 IGKBSUZOZYQREL-UHFFFAOYSA-N 312.435 1.948 0 40 DDAB CCOc1ccc(NC(=O)CN(C)CCNC(=O)C(C)C)cc1 95453480 ZRKSFAHOBWJMJM-UHFFFAOYSA-N 321.421 1.728 0 40 DDAB CC(C)(C)NC(=O)NC(=O)COC(=O)CSC(C)(C)C 7783578 INEXWLWYSSIZNL-UHFFFAOYSA-N 304.412 1.686 0 40 DDAB NC(=O)[C@@H](Sc1nc(=O)ccn1C1CC1)c1ccccc1 71858608 GUYWDDLNJVHJBC-ZDUSSCGKSA-N 301.371 1.897 0 40 DDAB CONC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 71886375 IEBHHLQTWXWCIV-UHFFFAOYSA-N 305.355 1.952 0 40 DDAB COc1cc(CNCc2nnc3n2CCCC3)cc(OC)c1 71821847 RPBMCPCJRCWBAN-UHFFFAOYSA-N 302.378 1.921 0 40 DDAB CN(Cc1nccn1C)C(=O)c1cn(-c2ccc(F)cc2)nn1 69328005 NZIZQZGGYIKRDM-UHFFFAOYSA-N 314.324 1.412 0 40 DDAB O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1cccc(F)c1 69392577 JMFVDLQCIVBVNW-HOTGVXAUSA-N 305.353 1.457 0 40 DDAB CCOCCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69582184 GVVMLEMPSVMPLB-UHFFFAOYSA-N 312.366 1.963 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](n2ccnc2)C1 69656676 PRGGSFUJJVTLKX-AWEZNQCLSA-N 301.394 1.640 0 40 DDAB CCC[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1 71904702 WBRXDILOVMYMMF-KBPBESRZSA-N 318.483 1.989 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CC2 69809915 ICIBHFBIBIEQEO-HNNXBMFYSA-N 308.389 1.877 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccsc2)C1 92570208 DFAHMONKWFBEMY-GFCCVEGCSA-N 316.448 1.221 0 40 DDAB C[C@H](CNC(=O)N(C)C[C@H]1CCCC[C@@H]1O)Cn1cccn1 97049240 QEYOUFCPXFJYKM-KFWWJZLASA-N 308.426 1.712 0 40 DDAB CC(=O)NCCCN(c1ccccc1F)S(=O)(=O)C(C)C 95990750 PWWODQNOSAAXTC-UHFFFAOYSA-N 316.398 1.897 0 40 DDAB C[C@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 95996364 BAWJOEFYDVYTPO-JTQLQIEISA-N 301.312 1.701 0 40 DDAB COCCCNC(=O)CN1CCCC[C@@H]1Cn1nc(C)cc1C 75132999 GSVAJWZDMNBTBG-MRXNPFEDSA-N 322.453 1.507 0 40 DDAB C[C@H](NC(=O)N1CCC[C@H](c2nncn2C)C1)c1cccnc1 89910034 NIXXXGFIFWDUBT-JSGCOSHPSA-N 314.393 1.860 0 40 DDAB CC[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1cccs1 89947952 WNWKEFLMVROPHA-VIFPVBQESA-N 314.388 1.870 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(C)C[C@@H]1C 89942748 RCYDHLWGUYPSTC-IHRRRGAJSA-N 307.442 1.817 0 40 DDAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1CO 72223646 SZDJTRJGFUKMPX-UHFFFAOYSA-N 307.394 1.939 0 40 DDAB O=C1C=CC(=O)N1CCCCCCCCN1C(=O)C=CC1=O 2244251 VXPOITUJBTZGNG-UHFFFAOYSA-N 304.346 1.177 0 40 DDAB CCOC1CC(CN2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)C1 527576714 MTLKXOJAWJSMIK-GMEATFMZSA-N 320.437 1.044 0 40 DDAB CN1CCC[C@@H](c2cnc(CCC(=O)NC(C)(C)CO)cn2)C1 72366893 RQIHTMNEFJEXFW-CYBMUJFWSA-N 320.437 1.106 0 40 DDAB CN1CCN(C(=S)N(C)C(=O)c2ccc(Cl)cc2)CC1 31852173 WCBMSMFDYLKMFF-UHFFFAOYSA-N 311.838 1.944 0 40 DDAB C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1F)c1nnn[nH]1 183438300 AKXMLGFVQPCRMU-VIFPVBQESA-N 306.345 1.281 0 40 DDAB COCC(C)(C)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 74949962 NFFAOMMNSLBQCD-INIZCTEOSA-N 320.433 1.819 0 40 DDAB C[C@@](O)(CNC(=O)NC[C@@H]1CCN(C2CC2)C1)c1ccco1 73716967 KKDUKMPBLNMEDL-BLLLJJGKSA-N 307.394 1.271 0 40 DDAB COC(=O)c1cc(I)ccc1CCN 39951646 XEZWLKIICXSMQN-UHFFFAOYSA-N 305.115 1.579 0 40 DDAB O=C(CO)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72359080 MBGWYSLLOFJWGP-ZDUSSCGKSA-N 315.348 1.981 0 40 DDAB CCOC(=O)[C@H](C)Nc1ccc(CCN2CCOCC2)cc1 79354914 UIXSVIHOOMUPEU-AWEZNQCLSA-N 306.406 1.925 0 40 DDAB CN(C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225331981 XOOJFBVYKKPJGA-UHFFFAOYSA-N 312.376 1.041 0 40 DDAB CCn1nccc1CNC(=O)[C@@H](C)n1cc2c(n1)c(C)nn2C 41123798 MKEJWJNWTJXDHD-LLVKDONJSA-N 315.381 1.172 0 40 DDAB Cc1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n1N 226081920 SEQVPJOXLQFCMV-JRPNMDOOSA-N 323.466 1.723 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 225466987 HFSHTWIIIRFCRO-OAHLLOKOSA-N 315.373 1.392 0 40 DDAB Cc1csc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 570915604 CYWFZQKPTVCENP-HOSYDEDBSA-N 314.432 1.331 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]3O2)n1 96058204 OXDAEBPPRACFRT-CYZMBNFOSA-N 315.333 1.160 0 40 DDAB Nc1nccnc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 96474202 WIZHNENEAKLMSQ-LBPRGKRZSA-N 302.334 1.473 0 40 DDAB CC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@@H]2CN)CC1 97234916 YJENEXFXAVONTA-CYBMUJFWSA-N 303.472 1.412 0 40 DDAB CCOCCCNc1cc(C(=O)N2CCOCC2)nc(C)n1 96182693 TXWMNJNOTYIFRR-UHFFFAOYSA-N 308.382 1.096 0 40 DDAB O=C1CCCN1[C@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1 96209324 MPQQIGGBFKQMKR-FUHWJXTLSA-N 315.417 1.828 0 40 DDAB CS(=O)(=O)[C@@H](CO)[C@H](N)c1ccc(-c2ccccc2)cc1 96525033 GURMROZWJNLREB-JKSUJKDBSA-N 305.399 1.759 0 40 DDAB Cc1cccc(CN2C[C@@H]3CCN(c4cncnc4)C(=O)[C@H]3C2)n1 96249136 YGJCREIEXTYITE-YOEHRIQHSA-N 323.400 1.665 0 40 DDAB Cc1cnc(C(=O)N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cn1 96082317 QJBJRSKSVWTOKG-LSDHHAIUSA-N 316.405 1.110 0 40 DDAB c1cnn(Cc2nnc3n2CCCN(Cc2ccsc2)C3)c1 96259659 XRYIWIBQNGIVGO-UHFFFAOYSA-N 314.418 1.990 0 40 DDAB CCS(=O)(=O)c1ccc(C(OC(C)=O)OC(C)=O)cc1 96191804 WGWBBJLYBFPYAZ-UHFFFAOYSA-N 300.332 1.605 0 40 DDAB COC[C@@H]1CN(C(=O)c2cccnc2OC)Cc2cncn2C1 96217134 MAGFRRQMZVTFRP-GFCCVEGCSA-N 316.361 1.205 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257265453 LYSYDTUDESUCDM-OAHLLOKOSA-N 314.389 1.656 0 40 DDAB Cn1ccnc1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257337798 YULOACQTSKPSCY-LLVKDONJSA-N 301.350 1.034 0 40 DDAB O=C(O)c1ccccc1-n1cnc(CN2CCC[C@H](O)C2)c1 257239334 HOURTNZJCGBBQX-ZDUSSCGKSA-N 301.346 1.527 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2C)C1 257224575 FCJJAAIVXTYXSG-CYBMUJFWSA-N 301.394 1.883 0 40 DDAB C=CC(=O)NC[C@H]1C[C@H]2C[C@H]1[C@H]1C[C@H](CNC(=O)C=C)C[C@@H]12 255187493 DXVBNLBQGUEJQN-GEONZQJFSA-N 302.418 1.889 0 40 DDAB Cc1cc([C@H](C)NC(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C)o1 252507942 WXUGWGRDOKGMOG-JQWIXIFHSA-N 314.407 1.786 0 40 DDAB CN(C)c1cccc([C@H]2CN(C(=O)c3c[nH]cn3)CCO2)n1 257235078 GWIVQZZNBDZNHR-CYBMUJFWSA-N 301.350 1.084 0 40 DDAB Nc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)cc2ccnn12 257284469 PCUSHGSOWDCZAE-ZDUSSCGKSA-N 322.372 1.726 0 40 DDAB CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C)n1 604382385 QCEUPPCHWSYKIX-BRSBDYLESA-N 321.465 1.855 0 40 DDAB biogenic,in-vitro CC(=O)N[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1O 257307371 SYIHKXAZEPBJIW-VXGBXAGGSA-N 316.279 1.027 0 40 DDAB CC(C)(C)N1CC[C@@H](CNC(=O)c2ccc(C(=O)O)cn2)C1 663125141 UNOCCCPIOPHRJI-NSHDSACASA-N 305.378 1.630 0 40 DDAB COC(=O)CCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 48374183 FJDLTVCGEYZZOT-UHFFFAOYSA-N 306.410 1.594 0 40 DDAB CN(C)c1cc(C(=O)NCc2cccnc2-n2cncn2)ccn1 47122441 OXYKEJOXEAWGPW-UHFFFAOYSA-N 323.360 1.053 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(CCOC[C@@H]3CCCO3)CCO2)n1 76049345 LPEWDOPUWKGCLO-KBPBESRZSA-N 324.425 1.326 0 40 DDAB Cc1cccc(NC(=O)CN2CCC[C@H](NC(=O)C3CC3)C2)c1 1006522498 PODUBRNAVIJFBJ-INIZCTEOSA-N 315.417 1.924 0 40 DDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl 97895219 SHEPQXFIYLLCGZ-UHFFFAOYSA-N 321.757 1.964 0 40 DDAB CC[C@@H](Sc1nc2c(c(=O)n1C)S[C@H](C)C2)C(=O)OC 250254 CWXHWZQFBXTFRT-VXNVDRBHSA-N 314.432 1.861 0 40 DDAB Cc1sc(NC(=O)Cn2cnnn2)nc1-c1ccc(F)cc1 14084907 FMQKNBQLVWGOHP-UHFFFAOYSA-N 318.337 1.883 0 40 DDAB Cn1cc([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)cn1 19290613 GTUURURECFUSST-CQSZACIVSA-N 312.439 1.678 0 40 DDAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCOCC1 4374275 DPJFYDGBUXZFSZ-LBPRGKRZSA-N 323.780 1.487 0 40 DDAB CCCCC[C@@H](C)NC(=O)CS(=O)(=O)Cc1cc(C)no1 36396438 BTTCYQYGSZUBIQ-LLVKDONJSA-N 316.423 1.983 0 40 DDAB c1ccc(N2C[C@@H]3CCN(c4ccc5nccn5n4)[C@@H]3C2)nc1 1889147526 BCWXTWXJKIRFHH-UONOGXRCSA-N 306.373 1.839 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ccncc1OC)[C@@H]2C 1614936879 GZQWQWVFTSUJSZ-LLVKDONJSA-N 316.361 1.650 0 40 DDAB COC(=O)[C@](NC(C)=O)(Nc1cc(C)cc(C)n1)C(F)(F)F 6130831 SXBLEHBDPPXUDY-LBPRGKRZSA-N 319.283 1.678 0 40 DDAB COc1cc2c(cc1OC)C(N[C@H](C)C(=O)O)=NC(C)(C)C2 12364883 CMQWJGPWRZSAOO-SECBINFHSA-N 306.362 1.848 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2scnc2C)C1 2055772206 HPDUCAZMKPQESX-OAHLLOKOSA-N 319.434 1.385 0 40 DDAB COc1nn(C)cc1C(=O)NCC[C@H](CCO)c1ccsc1 575607513 MMNVUTHOBUMYCM-LLVKDONJSA-N 323.418 1.776 0 40 DDAB O=C(Cc1cccs1)N1CCN(c2cccnc2)C(=O)C1 585150263 NLGWRJXKFKQBMV-UHFFFAOYSA-N 301.371 1.561 0 40 DDAB Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2c1 40493833 PRFLYOIMDULUMI-GFCCVEGCSA-N 306.387 1.735 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CN2CCSC2=O)n1 40541164 SOHHIWSGGGQKIE-JTQLQIEISA-N 310.423 1.421 0 40 DDAB COCCN1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1 20634334 QFBVWTPOAVCTII-UHFFFAOYSA-N 314.393 1.481 0 40 DDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(NC(C)=O)cc1 21133466 KKJDFFHFLVOAEH-IINYFYTJSA-N 320.393 1.344 0 40 DDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(NC(C)=O)cc1 21133470 KKJDFFHFLVOAEH-YGRLFVJLSA-N 320.393 1.344 0 40 DDAB COc1ccnc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)n1 52245664 HJZGIYQSOJHBSQ-LBPRGKRZSA-N 315.377 1.717 0 40 DDAB Cc1nc(N2C[C@H](O)C[C@@H]2C(N)=O)c2c(C)c(C)sc2n1 33010951 JDHXRPKUKXKKEC-NXEZZACHSA-N 306.391 1.041 0 40 DDAB CC(=O)NCCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 22758125 QJXTVMNBGHBROB-UHFFFAOYSA-N 312.753 1.367 0 40 DDAB Cc1noc(CNC(=O)c2oc(Br)cc2C)n1 104298669 KYLFWAGCSXNBNX-UHFFFAOYSA-N 300.112 1.972 0 40 DDAB O=C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CCN1 54258543 OOVJXLMXGJSKRU-KRWDZBQOSA-N 315.417 1.562 0 40 DDAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCNC(=O)C1 23419908 DNVSWOZJTJUDKW-LBPRGKRZSA-N 304.390 1.710 0 40 DDAB Cc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)n1C 23574194 RUZPLQIPEBISGH-UHFFFAOYSA-N 313.357 1.375 0 40 DDAB C[C@H]1COCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 47508585 GJMKRTORONHVSB-JTQLQIEISA-N 306.387 1.982 0 40 DDAB NC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2556759 GDAQVXISDUMUJG-GFCCVEGCSA-N 323.349 1.205 0 40 DDAB O=C(Nc1ncccn1)c1c(O)n2c3c(cccc3c1=O)CC2 1244662 YUBHNHCDJADMDI-UHFFFAOYSA-N 308.297 1.306 0 40 DDAB O=C(CN1CCC(NC(=O)C2CC2)CC1)NCc1cccs1 4909794 XKYFGROYEBOGMG-UHFFFAOYSA-N 321.446 1.355 0 40 DDAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCOCC1 7988351 XINYZZOBRRCISI-LLVKDONJSA-N 319.390 1.002 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@@]1(C(=O)O)CCSC1 43510129 GNKNNGJYNGHCSO-XPTSAGLGSA-N 313.350 1.670 0 40 DDAB CO[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 43645392 GXAMTFDKKCITFJ-AWEZNQCLSA-N 305.378 1.281 0 40 DDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1cccc(F)c1 57332436 PUCYIVGWMZKRTJ-UHFFFAOYSA-N 315.352 1.376 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)S1 73119423 UBJBSFAVJHMLJO-SNVBAGLBSA-N 324.837 1.984 0 40 DDAB CN(c1ncc(S(N)(=O)=O)s1)[C@@H]1CCc2ccccc21 95407738 XNLXSRKNQJIBMR-LLVKDONJSA-N 309.416 1.914 0 40 DDAB CC(C)CCc1noc(Cn2nnn(-c3cccs3)c2=O)n1 58149049 IFWDYWNBLOAQEK-UHFFFAOYSA-N 320.378 1.510 0 40 DDAB Cc1oc(C(=O)Nc2cn[nH]c2)cc1S(=O)(=O)N1CCCC1 58161495 ORYKNSUCKCTNCF-UHFFFAOYSA-N 324.362 1.348 0 40 DDAB OCC[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1F 12567238 FODWSWMDNITICW-JKSUJKDBSA-N 311.397 1.940 0 40 DDAB O=C(CCNc1ncccn1)N1CCO[C@@H](c2ccccc2)C1 58407749 CUJXQKMHAXNSMQ-OAHLLOKOSA-N 312.373 1.879 0 40 DDAB CN(C)c1nnc(-c2ccc(NC(=O)Cn3ccnn3)cc2)o1 95447278 ZUFVBHBGUCOAAY-UHFFFAOYSA-N 313.321 1.033 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)CN2CCCCCC2)c2ccccc2O1 11232454 HXBZZOYKFKDBCJ-HNNXBMFYSA-N 317.389 1.142 0 40 DDAB Cc1ncc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402720 IFKQOZLESFMYEY-SNVBAGLBSA-N 305.407 1.653 0 40 DDAB CCn1nc(C)cc1C(=O)NCCn1ncc2c1c(C)nn2C 57279791 LWBBCVMVQKUYKV-UHFFFAOYSA-N 315.381 1.033 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 12788385 OUBSSZYXCHVQAW-SSDOTTSWSA-N 309.395 1.427 0 40 DDAB CC[C@@H](C(=O)N(C)CCc1ncc(C)s1)N1CCCC1=O 89941836 IMDHGLWKLMIOPN-LBPRGKRZSA-N 309.435 1.853 0 40 DDAB CCOC(=O)CSCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12985486 PSOFKZPMJGUWQE-UHFFFAOYSA-N 309.347 1.091 0 40 DDAB CCNC(=O)c1cccc(CNC(=O)c2oc(C)nc2C)c1 76060862 LEGLTRTYFRGKLF-UHFFFAOYSA-N 301.346 1.971 0 40 DDAB Cc1cnc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)o1 76058830 MWAWQKMPIZIULW-XHDPSFHLSA-N 306.366 1.135 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cnc(C)s3)CCO2)n1 76045995 SVSPYWNNAYLRKK-JTQLQIEISA-N 321.406 1.736 0 40 DDAB COc1ccc(OC)c([C@@H](C)Nc2ccc3nnnn3n2)c1 13010334 LGJBGYGBJJRRPA-SECBINFHSA-N 300.322 1.710 0 40 DDAB COc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1OC 13014931 HSVMFJFYVRRGBV-TXEJJXNPSA-N 308.378 1.752 0 40 DDAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1c[nH]c2ccccc12 4090585 ZRSLRYTUCRMAJR-RISCZKNCSA-N 302.330 1.147 0 40 DDAB biogenic CCc1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N(C)C)cc1 39975679 LTRULUSHXHWBEJ-INIZCTEOSA-N 313.401 1.970 0 40 DDAB O=C(OCC(=O)N1CCNC1=O)c1c(Cl)cccc1Cl 5532132 FCPKYJGFNOOWSU-UHFFFAOYSA-N 317.128 1.702 0 40 DDAB COc1ccc(C(C)=O)cc1CSc1nc(N)cc(=O)[nH]1 9465530 AWGMNRFARHDNLA-UHFFFAOYSA-N 305.359 1.856 0 40 DDAB CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCOC1=O 14914166 ZCKSJZMYYRGUQV-LLVKDONJSA-N 316.279 1.891 0 40 DDAB CN1CCN(C(=S)SCc2cn3cccnc3n2)CC1 19879559 VZYBTQOSTCFHEF-UHFFFAOYSA-N 307.448 1.495 0 40 DDAB COCCC1(C(=O)N2CCCN(C(=O)C(C)C)CC2)CCC1 96472376 GPNHMPZQWZWQBD-UHFFFAOYSA-N 310.438 1.910 0 40 DDAB C/C(=C\C(=O)OCCNC(=O)c1ccncc1)c1ccncc1 98056548 YEVSWDQVENMEIR-OUKQBFOZSA-N 311.341 1.853 0 40 DDAB Cc1ccnc([C@H](NC(=O)COC[C@H]2CCCO2)C2CC2)n1 89701889 BYPQJRZTSZJRDY-UKRRQHHQSA-N 305.378 1.548 0 40 DDAB CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 23114162 RVHQTLMUFCUXRC-VXGBXAGGSA-N 318.373 1.929 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2CSc3ccccc3O2)CC1 71871440 MYQBPXLHAMRZKJ-JSGCOSHPSA-N 322.430 1.065 0 40 DDAB O=C1NCCN1[C@H]1CCCN(c2ncnc3ccsc23)C1 71830514 ORFVQIDEESKRQK-JTQLQIEISA-N 303.391 1.685 0 40 DDAB O=C1C[C@@H](c2ccccc2)N(C(=O)C[C@@H]2CCCO2)CCN1 71821283 UOTFAKYVBXJDBZ-GJZGRUSLSA-N 302.374 1.645 0 40 DDAB COC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 7814147 MAPKMCGDVVADFU-SNVBAGLBSA-N 306.391 1.715 0 40 DDAB C(CN1CC[C@H](N2CCCC2)C1)CN1CC[C@H](N2CCCC2)C1 71920924 SHWMAVWMEVCAHV-OALUTQOASA-N 320.525 1.717 0 40 DDAB Cc1noc(C)c1CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 95964216 KOLIKCUZPYNGSB-NSHDSACASA-N 308.382 1.490 0 40 DDAB Cc1nnc(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)s1 69325299 SGUTUYYNPSBKDW-NSHDSACASA-N 319.390 1.893 0 40 DDAB CC[C@@H]1CN(C(=O)NCc2ccc3c(c2)OCCO3)CCO1 69323631 RTMDHWZYKHUTSI-CYBMUJFWSA-N 306.362 1.778 0 40 DDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)N1[C@@H](C)CCC[C@@H]1C 110591875 BQSMUFXGLRLKIO-XUXIUFHCSA-N 318.483 1.529 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H](C)OC[C@@H]1CCCCO1)C2 69454705 FRLASYQHTZRFEW-OLZOCXBDSA-N 322.409 1.157 0 40 DDAB CCN1CCN(C2CCN(CCOCC(F)(F)F)CC2)C1=O 69493176 SEKCTUWMAVZPSG-UHFFFAOYSA-N 323.359 1.787 0 40 DDAB COC[C@H](C)NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69536273 QQLNVHLHDNMOEG-UONOGXRCSA-N 321.421 1.856 0 40 DDAB CCCCCC[C@](C)(NCC(=O)NC(=O)NC)C(=O)OCC 69657904 IZYJAKSMMHJDNT-HNNXBMFYSA-N 315.414 1.324 0 40 DDAB CN(C(=O)[C@@H]1CCC(=O)N1)C1CCN(c2ccc(F)cc2)CC1 69741314 VMWBDFPYMUPUMG-HNNXBMFYSA-N 319.380 1.532 0 40 DDAB CCn1nnc2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)ccc21 69777331 XBJSUFLJJZOKFF-CQSZACIVSA-N 324.388 1.953 0 40 DDAB COCCN(C)S(=O)(=O)NCc1ccccc1OC(C)C 69841903 WNJAZFTVBKTMMA-UHFFFAOYSA-N 316.423 1.386 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)N1 70666718 ZEZMRXZJWFEVHE-RRGWEWPQSA-N 313.401 1.123 0 40 DDAB Cn1cc(C[C@H]2CCN(C(=O)c3ccc(O)cc3F)C2)cn1 97046106 PXDNKTQKAFSUFA-LLVKDONJSA-N 303.337 1.970 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C12CCC2 72295811 SNLYCJXFJIJRJF-KWCYVHTRSA-N 320.389 1.862 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 9048362 BXHVXZRUSHFJNX-CQSZACIVSA-N 308.403 1.538 0 40 DDAB Nc1c(C(=O)OCC(=O)N2CCCCCC2)ccnc1Cl 89884763 UZQGLUNEYZXQQK-UHFFFAOYSA-N 311.769 1.877 0 40 DDAB O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCc2cncnc2C1 95399282 BZJBPNLVUFXEEO-UHFFFAOYSA-N 324.319 1.395 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cnn(CC)c1)CC2 89305764 NKDLOLFEFUNEMD-KBPBESRZSA-N 307.394 1.295 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)NCCc2cccs2)c1 75131765 NWLJSZRLOUCLAD-ZDUSSCGKSA-N 306.435 1.590 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(=O)[nH]1 75118817 CNOZDNFVIWPHPE-AWEZNQCLSA-N 315.373 1.843 0 40 DDAB COc1c[nH]c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1=O 524734679 BXEPJOYQABESDS-MRXNPFEDSA-N 314.341 1.597 0 40 DDAB Cn1ccnc1CN1CCN(C(=O)c2c(O)cccc2F)CC1 123408551 NTSSHIUAACQCQV-UHFFFAOYSA-N 318.352 1.223 0 40 DDAB O=S(=O)(Cc1ccon1)N1CCN(CC2CCCC2)CC1 75918399 PFSIDJHMGZJUCG-UHFFFAOYSA-N 313.423 1.312 0 40 DDAB CC(C)C(=O)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335784 PVQRNNSHGYBQPF-UHFFFAOYSA-N 315.377 1.249 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2cnc(Br)cn2)C1 72363365 SXVMOKCFVWPPSF-QMMMGPOBSA-N 320.212 1.063 0 40 DDAB CN(C(=O)CN1CCC[C@H](c2ccn[nH]2)C1)c1nccs1 72270744 ZIHVNLNSJUWGOL-NSHDSACASA-N 305.407 1.709 0 40 DDAB COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 40308974 WFMGVPWIIITLOX-HNNXBMFYSA-N 314.345 1.240 0 40 DDAB biogenic CCn1cc(C(=O)Nc2ncncc2OC)c(C(F)(F)F)n1 571699361 ZBOKQTGJNGJJGU-UHFFFAOYSA-N 315.255 1.973 0 40 DDAB CC(C)c1ccccc1NC(=O)C(=O)NCCN1CCOCC1 42646694 JBZYILIOUMIQKB-UHFFFAOYSA-N 319.405 1.197 0 40 DDAB Cc1ccn(-c2ccc(N3Cc4nc(N)ncc4C3=O)cc2)n1 41123019 JGLMRXPAAZPOHJ-UHFFFAOYSA-N 306.329 1.713 0 40 DDAB CN(C)c1ccnc(CNS(=O)(=O)c2cccc(F)c2)n1 224195819 HXPCSXCVMFPEKE-UHFFFAOYSA-N 310.354 1.160 0 40 DDAB CCn1ncnc1COc1nc(Cc2ccc(F)cc2)no1 195441260 GQYJCIATKLCONW-UHFFFAOYSA-N 303.297 1.990 0 40 DDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)N(C)C)C2 96039570 LQJJNWGUIVIVGB-ZBFHGGJFSA-N 313.442 1.117 0 40 DDAB CCOCCCNC(=O)c1ccc(=O)n(-c2ccccc2)c1 96192058 KEHMAADIYWAXLT-UHFFFAOYSA-N 300.358 1.994 0 40 DDAB O=C(c1nnn(-c2ccc(F)cc2)c1C1CC1)N1CC(O)C1 95422134 YRPVPINIMHGUHY-UHFFFAOYSA-N 302.309 1.101 0 40 DDAB CC1CCN(C[C@@H](O)COc2ccc(-n3cncn3)cc2)CC1 95439063 XLYMXWYNJSUTFQ-MRXNPFEDSA-N 316.405 1.739 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 96419784 XZFMXQUWWTXRPO-RQJABVFESA-N 316.467 1.708 0 40 DDAB CC[C@H](C)N(CC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2 236938253 ANLSKLWNMBYXLS-JTQLQIEISA-N 304.346 1.897 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1c2ccccc2C[C@@H]1C 96427213 NNAZUIPMAFQXIY-BLLLJJGKSA-N 324.446 1.708 0 40 DDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96106663 TYGHKAJOIQMNEG-CQSZACIVSA-N 317.389 1.667 0 40 DDAB C[C@H]1C[C@@H](C)CN(CCNS(=O)(=O)CC[C@@H]2CCCO2)C1 96472419 VMCMEQGYJKOSQY-ZNMIVQPWSA-N 318.483 1.453 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)cc(F)c1 96413617 XAEMMIYAENDURQ-VFZGTOFNSA-N 314.332 1.817 0 40 DDAB Cn1cc(CN2CCc3ncnc(NC4CCC4)c3CC2)cn1 96255753 XVZFXHRGICFLNQ-UHFFFAOYSA-N 312.421 1.775 0 40 DDAB COc1c(C(=O)N2CCSCC2)nnn1Cc1ccccc1 96183505 FTTMPKCKJDCWTK-UHFFFAOYSA-N 318.402 1.524 0 40 DDAB COc1cc(N2C[C@H](OCC3CC3)[C@H]3OCCC[C@H]32)ncn1 96040931 XANAMGQKGSTAQR-WWGRRREGSA-N 305.378 1.648 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)c1 249637046 WVTSSKYNQMMQFC-GZBFAFLISA-N 303.406 1.922 0 40 DDAB Cn1nccc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 257214085 CKLOIIOPQFGEGE-CQSZACIVSA-N 323.404 1.775 0 40 DDAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(F)c1F 257329870 XLVJOCAOFGAYBQ-INIZCTEOSA-N 318.327 1.731 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)n(C)n1 257343873 ZUSTYGPOUKAORX-RDJZCZTQSA-N 321.421 1.375 0 40 DDAB O[C@H]1CN(Cc2ccnc(N3CCCC3)n2)CC[C@@]12CCCO2 257313800 UUEIUIPFRIIIRD-RDJZCZTQSA-N 318.421 1.193 0 40 DDAB C[C@H](c1cnccn1)N1CCCN(CC(=O)N2CCCC2)CC1 276139011 OFZZZLFGELEIDO-OAHLLOKOSA-N 317.437 1.168 0 40 DDAB Cc1cc2ncc(C(=O)N(C)Cc3noc(C)n3)c(C)n2n1 272667053 JKCSBRAZOSYZKR-UHFFFAOYSA-N 300.322 1.310 0 40 DDAB CO[C@H](CNC(=O)CN1C(=O)CCC1=O)c1ccc(C)s1 96104678 LRUXYINACPFYOF-SNVBAGLBSA-N 310.375 1.009 0 40 DDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1=O 585106925 LHRGXPNRWVEYHN-WMLDXEAASA-N 316.376 1.963 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1ccccn1)C2 585110825 LIGLCCOILIXLFU-AWEZNQCLSA-N 311.389 1.147 0 40 DDAB CN(C)C(=O)NC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 585112786 VLBZHGYGIDCWEN-AWEZNQCLSA-N 319.434 1.773 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2cncnc2)C1 585276258 HIVYQSTTYJIHDB-KRWDZBQOSA-N 313.357 1.441 0 40 DDAB COc1cc(CNC[C@@H]2CCCN(C)C2)cc2c1OCCO2 68722563 SUEVHPTUQRTDAX-ZDUSSCGKSA-N 306.406 1.898 0 40 DDAB CCOC[C@@H](O)CN1CCN(C(=O)c2c(C)oc(C)c2C)CC1 71882006 NCJBFKBXLWSVAM-HNNXBMFYSA-N 324.421 1.360 0 40 DDAB Cc1n[nH]c(CN(C)C(=O)Nc2nncc(-c3ccccc3)n2)n1 75103845 XXRBOZHONNFWER-UHFFFAOYSA-N 324.348 1.629 0 40 DDAB CCCCN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 57641922 CVBKDQUYRQMHGN-UHFFFAOYSA-N 301.412 1.398 0 40 DDAB NC(=O)C1(NC(=O)[C@@H]2SCCc3ccccc32)CCCC1 76066076 HWHVZBRAPNOYGR-CYBMUJFWSA-N 304.415 1.931 0 40 DDAB CN1CCC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc23)C1 76062423 SWRVLCWMQLVOTN-CYBMUJFWSA-N 319.430 1.950 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NCC(F)(F)F)cc1 41198770 JISUHRYAHRBCBX-UHFFFAOYSA-N 310.297 1.452 0 40 DDAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3snnc3C)C[C@H]1CC2 12232596 AIODAIXLDQEWTB-NEPJUHHUSA-N 315.402 1.747 0 40 DDAB CCCNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715665 XXIFOQJZYCZWHC-CYBMUJFWSA-N 316.398 1.897 0 40 DDAB CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C)CC1 19446803 KGKHQYZEHIZGMH-LSDHHAIUSA-N 322.457 1.187 0 40 DDAB NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 19927886 QKGUUUVYFCTRGM-UHFFFAOYSA-N 313.180 1.812 0 40 DDAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)c1ccc(OC(F)(F)F)cc1 107287440 MXODVHXVYFNMJA-SCVCMEIPSA-N 319.279 1.447 0 40 DDAB CN1CCC(NC(=O)c2ccnc(OC3CCOCC3)c2)CC1 253396762 FAMCYJHLOHCESJ-UHFFFAOYSA-N 319.405 1.463 0 40 DDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C(C)C)C[C@H]4C3)n1)CCC2 1888844524 DGKJFWGUHCHPHY-OKILXGFUSA-N 314.433 1.824 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3ccno3)C2)nc1 1889128229 MNTYAEREZYZZML-GFCCVEGCSA-N 301.350 1.514 0 40 DDAB Cc1ccc(C)c(CN2CCO[C@H](C(=O)N3CCOCC3)C2)c1 1889128236 RRRNSVPRDIJGBQ-KRWDZBQOSA-N 318.417 1.363 0 40 DDAB COc1ccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cc1 2037980769 HXSAYILDFGXOBR-SFHVURJKSA-N 318.417 1.909 0 40 DDAB CCOC(=O)c1c(S[C@@H](CC)C(=O)O)nc(=O)[nH]c1C 5251656 SOICTTLVILTTID-ZETCQYMHSA-N 300.336 1.210 0 40 DDAB COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2C)c1 26422209 YLPPMWOGOHKJOJ-UHFFFAOYSA-N 308.363 1.425 0 40 DDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)CC)C(=O)[C@H]13)O2 2420632 RIGCPESFDQZOOA-NLIDSEJHSA-N 307.390 1.910 0 40 DDAB CCN1C(=O)C[C@@H](C(=O)NC)[C@H]1c1ccc(OC)cc1OC 26496221 SNPVIQKGQCLQJF-IUODEOHRSA-N 306.362 1.359 0 40 DDAB CC(C)S(=O)(=O)c1nnc(CCNC(=O)OC(C)(C)C)o1 542710 FJXPDCCUHUAUFA-UHFFFAOYSA-N 319.383 1.319 0 40 DDAB Nc1cc(N)nc(SCc2nc(Cc3ccccc3)no2)n1 31655802 HFIQSMIOXPGONP-UHFFFAOYSA-N 314.374 1.907 0 40 DDAB CC(C)c1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 31648165 GGYFGKSFZCYRNK-UHFFFAOYSA-N 319.390 1.062 0 40 DDAB O=C(NCc1cccnc1OCC(F)(F)F)c1cnccn1 40509976 OGMLTFCAQCVNFE-UHFFFAOYSA-N 312.251 1.743 0 40 DDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccsc1 40505258 YVLIQBUOYJUUOY-JSGCOSHPSA-N 310.419 1.215 0 40 DDAB O=C(NCCNc1ncccc1C(F)(F)F)c1cnccn1 40555189 VZIKFJSMSDAJCP-UHFFFAOYSA-N 311.267 1.732 0 40 DDAB O=C(Cn1cccn1)NCc1ccc(OC[C@@H]2CCCO2)cc1 40534220 MUFKYNMFARIKHX-INIZCTEOSA-N 315.373 1.757 0 40 DDAB COc1ccc(C(=O)NCCNC(=O)C2[C@H]3CCCC[C@H]23)cc1 101401475 AEXCVMWOYLTYLC-GJZGRUSLSA-N 316.401 1.977 0 40 DDAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccccc2F)C1 21214313 LGVMRZROLDWUIV-MRVPVSSYSA-N 306.322 1.669 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1C 32689183 OYRYHSSVLOLAPB-UHFFFAOYSA-N 315.329 1.195 0 40 DDAB COc1ccc(C(=O)NCc2nnc3n2CCCC3)cc1F 41139719 CLTBNAGVJFTTLY-UHFFFAOYSA-N 304.325 1.692 0 40 DDAB CCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 102599013 JIBXFNHOEJZNFZ-KKOKHZNYSA-N 320.370 1.118 0 40 DDAB NS(=O)(=O)c1cccc(CNC(=O)NCc2ccccc2)c1 32916635 TUQUCAFFHHXBNA-UHFFFAOYSA-N 319.386 1.333 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O)C1CC1 53864945 WQHGXMYJNLECHZ-PSLIRLAXSA-N 321.402 1.430 0 40 DDAB O=C(Cn1ncc(N2CCCC2)cc1=O)OCc1ccccc1 23250920 HIIWNMAPIYINBL-UHFFFAOYSA-N 313.357 1.587 0 40 DDAB COC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C(=O)OC 105755 CDTQPIROJRNJKW-UHFFFAOYSA-N 313.672 1.633 0 40 DDAB CCN1CCN(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 23991171 ADOVJYNOJWRAKE-UHFFFAOYSA-N 307.394 1.238 0 40 DDAB CCCCn1nnnc1Cn1cnc2sc(CC)cc2c1=O 24174693 RLRXULKLPUCNLY-UHFFFAOYSA-N 318.406 1.855 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCn2c(nnc2C2CC2)C1 78788111 QCCWKMFNVHUKIY-BETUJISGSA-N 317.437 1.761 0 40 DDAB CCn1nc(C)c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1C 78932946 RIABIDBJJPUOMS-LBPRGKRZSA-N 319.409 1.082 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(c2ncc(Cl)cc2F)C1 79295769 GPZIYTXYCVUDFQ-SECBINFHSA-N 321.805 1.640 0 40 DDAB C[C@@H](C(=O)NCCc1ccncc1)N1Cc2ccccc2C1=O 79492719 HZXZWEPHXXBFST-ZDUSSCGKSA-N 309.369 1.785 0 40 DDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)NCCc2ccccc2)C1=O 2710911 DVJVPDNOTMZVDV-VXGBXAGGSA-N 320.414 1.224 0 40 DDAB CCN(Cc1ccncc1)S(=O)(=O)c1cccc(C(=O)O)c1 12545497 MPMMLVJJJVYOSS-UHFFFAOYSA-N 320.370 1.991 0 40 DDAB O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccoc2)CC1 25235241 BLTUEHLUDWIYIZ-UHFFFAOYSA-N 316.332 1.946 0 40 DDAB CCCc1nnc(SCC(=O)N2CCCC2)n1CCOC 4877746 UZWUQRNRYXGCPZ-UHFFFAOYSA-N 312.439 1.592 0 40 DDAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3ccccc3c1)CC(=O)N2 4944795 SLIMHJPTTFRADA-GFCCVEGCSA-N 306.325 1.979 0 40 DDAB O=C(O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1472300 DNLNXDTUESVAHF-UHFFFAOYSA-N 309.796 1.887 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCN(c2nccs2)CC1 56323495 NTTZASHWOCKRGB-UHFFFAOYSA-N 318.402 1.972 0 40 DDAB O=C(Nc1cccnc1)N1CCN(Cc2cscn2)CC1 56503063 VYKYJWRYICVBEY-UHFFFAOYSA-N 303.391 1.888 0 40 DDAB Cc1nnc(O)c2c1[C@@H](c1ccc(Cl)cc1)n1nnnc1N2 10298403 PMBKFHFHDOHCKH-LLVKDONJSA-N 315.724 1.825 0 40 DDAB CCCNC(=O)Cn1c(=O)n(CCC)c(=O)c2sccc21 57485873 BPYWMSQQJABFRL-UHFFFAOYSA-N 309.391 1.161 0 40 DDAB CCCNC(=O)NC(=O)Cn1nnc(-c2ccc(F)c(C)c2)n1 58298353 WKKDXVJANNTKNI-UHFFFAOYSA-N 320.328 1.023 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1F 44917680 VCMBTKTYNCKNNE-SECBINFHSA-N 301.318 1.528 0 40 DDAB Cc1noc(CCCC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)n1 44939438 GLHWTVOQAWQKJU-RWMBFGLXSA-N 324.425 1.315 0 40 DDAB CCOC(=O)NC1CCN([C@H](C)C(=O)NC(C)(C)CC)CC1 58316445 NNKTUAFUQCMQJR-GFCCVEGCSA-N 313.442 1.890 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)Cc1ccsc1 28021026 NJAHKABMKRSPKO-UHFFFAOYSA-N 307.375 1.024 0 40 DDAB C[C@H](C(=O)N1CCN(Cc2ccsc2)CC1)n1cncn1 45212002 DLZBFQXHMBQQHY-GFCCVEGCSA-N 305.407 1.245 0 40 DDAB O=C(CNC(=O)c1ccco1)NCCOc1cccc(Cl)c1 36391102 MHXMTPYRVUFYRN-UHFFFAOYSA-N 322.748 1.858 0 40 DDAB CCOC(=O)/C(C(N)=S)=C1/NN=C(Cc2ccccc2)O1 101512364 BINPEDTYCSAHBS-QBFSEMIESA-N 305.359 1.223 0 40 DDAB Cc1cccc(C)c1OCCNC(=O)N[C@@H](C)c1nncn1C 46961662 ANNOYNUKQDNOMW-ZDUSSCGKSA-N 317.393 1.871 0 40 DDAB CN1CCN(C(=O)CNC(=O)C(C)(C)C)[C@H](c2ccccc2)C1 48261386 FXNILWVZWYRIMW-HNNXBMFYSA-N 317.433 1.664 0 40 DDAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCOCC1 22357256 MUKCJEKPOJOZCM-LLVKDONJSA-N 300.366 1.591 0 40 DDAB CS(=O)(=O)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 48596671 UNVMYCLBZANGFU-UHFFFAOYSA-N 322.169 1.634 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccs1 13095757 RFBHKDDVRCURNY-UHFFFAOYSA-N 310.400 1.634 0 40 DDAB C[C@@H](C(N)=O)N1CCO[C@H](c2ccc(Br)cc2)C1 49068647 NDUNXPQZCMAKJY-CABZTGNLSA-N 313.195 1.696 0 40 DDAB C[C@@H](C[S@@](C)=O)NC(=O)NCCC1Cc2ccccc2C1 96010077 MSVWVCKLRGWIOG-QKVFXAPYSA-N 308.447 1.858 0 40 DDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCSCC2)C1=O 49213384 KUGXXLBRUUBDSD-LBPRGKRZSA-N 320.414 1.766 0 40 DDAB CC(=O)Oc1ccccc1[C@@H]1C[C@]2(C)CC(=O)N[C@H]2N1C(C)=O 4108666 MMQGAWZREWARCC-RRQGHBQHSA-N 316.357 1.758 0 40 DDAB O=C1N[C@H](c2ccc(SC(F)F)cc2)N2CCOC[C@@H]12 97081115 ZKCJQPABFCXCBH-QWRGUYRKSA-N 300.330 1.831 0 40 DDAB O=C(NC[C@@H]1CCOC1)C1CCN(c2ccc(Cl)nn2)CC1 65443049 LNZRIWGZWLHMMN-NSHDSACASA-N 324.812 1.499 0 40 DDAB C[C@@H](Cc1ccccc1F)NC(=O)CCS(=O)(=O)N(C)C 97032166 DYADRIAGJGBYDH-NSHDSACASA-N 316.398 1.154 0 40 DDAB Cc1noc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 65531886 TUQVHPRRVUQOPP-PWSUYJOCSA-N 314.345 1.608 0 40 DDAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2nccn2C1 65530334 XKUPPADKEDPHSG-AAEUAGOBSA-N 310.357 1.440 0 40 DDAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1N 5335498 QRXYFYQCPMNZKC-VIFPVBQESA-N 309.395 1.505 0 40 DDAB COCCc1noc(CN2CCN(c3nc(C)cs3)CC2)n1 65608175 ICGPQMNTCNPAIJ-UHFFFAOYSA-N 323.422 1.346 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H](C)OCc1cccc(OC)c1 65622332 ZKLYFAKCTDMWSH-LLVKDONJSA-N 309.362 1.668 0 40 DDAB C/C(=C\C(=O)NCCN1CCN(C)CC1)CCc1ccccc1 96257561 IBFULNIWLKDXCX-WUKNDPDISA-N 315.461 1.929 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc(C)c(C)c2=O)c1 97082296 YZTAAOWDFRRRDE-HNNXBMFYSA-N 302.374 1.917 0 40 DDAB O=C(CCc1nc(-c2cccs2)no1)NCc1cn[nH]n1 97011319 BCKXHGFDQNJSHL-UHFFFAOYSA-N 304.335 1.165 0 40 DDAB COc1cc(=O)[nH]c(S[C@H](C)C(=O)NC2CCCCC2)n1 6678054 DDFUFCYWCPINQR-SECBINFHSA-N 311.407 1.708 0 40 DDAB COc1cccc(C(=O)NCCCN2CCN(C)CC2)c1OC 61524155 DCZYUUAAGBBKIU-UHFFFAOYSA-N 321.421 1.071 0 40 DDAB O=C([C@H]1CCCN1CCc1ccncc1)N1CCSCC1 67118114 SMXCJKDBKUMMSH-OAHLLOKOSA-N 305.447 1.664 0 40 DDAB Cn1ccnc1SCCNc1nnnn1-c1ccccc1 7129437 DHLZVNIVOJEBJT-UHFFFAOYSA-N 301.379 1.600 0 40 DDAB NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 7109026 CXUCOKDSCGYSSB-UHFFFAOYSA-N 305.117 1.274 0 40 DDAB C[C@@H](NC(=O)c1nccnc1N)c1ccc(-n2ccnn2)cc1 96485007 XHKOEWCRPHRZKD-SNVBAGLBSA-N 309.333 1.131 0 40 DDAB CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 15677151 XRAUXZZLUYMIJW-UHFFFAOYSA-N 322.342 1.431 0 40 DDAB CCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 68736343 ODJIBQCMIGQTST-GFCCVEGCSA-N 306.362 1.062 0 40 DDAB Cc1nnc(NC(=O)CN2CCC[C@H]2Cn2cccn2)s1 71875615 WAXSJVWIPMFSAU-NSHDSACASA-N 306.395 1.146 0 40 DDAB CCN(C)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 71867890 PDAALOQZFRCWSY-UHFFFAOYSA-N 300.742 1.305 0 40 DDAB CC(=O)Nc1nc(CN[C@@H]2CCc3nc(C)nn3C2)cs1 72268038 BSXIZLBHXAWUDC-SNVBAGLBSA-N 306.395 1.106 0 40 DDAB Cc1ccc(CN2CCC(CNC(=O)c3cnn[nH]3)CC2)cc1 70009625 PSVPCAWJHUJONU-UHFFFAOYSA-N 313.405 1.755 0 40 DDAB CNS(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2)o1 83882418 ZJLVYXPJSTUNAF-UHFFFAOYSA-N 308.359 1.112 0 40 DDAB CCNC(=O)CN1CCC(Oc2c(OC)cccc2OC)CC1 71953039 GFDKXLHTYNRRPI-UHFFFAOYSA-N 322.405 1.683 0 40 DDAB CCc1cccc(NC(=O)CNS(=O)(=O)N(CC)CC)c1 69415501 KCAKLLOFJPEAKL-UHFFFAOYSA-N 313.423 1.364 0 40 DDAB O[C@H](CN1CCN(Cn2cc(Cl)cn2)CC1)c1ccccc1 71920486 HLPVRVVNZBVXTQ-MRXNPFEDSA-N 320.824 1.845 0 40 DDAB CCNc1nc(SCC(=O)NC(=O)NC)nc2ccccc12 9689669 DADFFDLZCKRGOU-UHFFFAOYSA-N 319.390 1.609 0 40 DDAB Cc1nc(CN2CCC[C@H](NCC3(O)CCCCC3)C2)no1 72253922 PLZJOMURBATUQG-AWEZNQCLSA-N 308.426 1.627 0 40 DDAB CCN1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 69700900 GNGUJAJLQULDFB-HNNXBMFYSA-N 321.421 1.588 0 40 DDAB Cc1nn(C)c(Cl)c1CSc1nc2[nH]ncc2c(=O)[nH]1 69774359 XYFAUGLLOPLTCW-UHFFFAOYSA-N 310.770 1.634 0 40 DDAB CCCCn1nc(C(=O)NC2(C(=O)O)CCCCC2)ccc1=O 69966592 NPJRGSWOSUTGGU-UHFFFAOYSA-N 321.377 1.561 0 40 DDAB Cc1c([C@H]2CCCN2c2cc(-n3cccn3)nc(N)n2)cnn1C 92940874 NAEVQDIZTNGLTQ-CYBMUJFWSA-N 324.392 1.628 0 40 DDAB CCN(C[C@H](C)C(=O)OC)C(=O)c1ccc2c(c1)N(C)CC2 97373388 NIHMQZZDBZXOBZ-LBPRGKRZSA-N 304.390 1.950 0 40 DDAB COCc1nc(CN2Cc3ccccc3C[C@H]2C(N)=O)cs1 72557432 QHOYPXOKVIVSKC-AWEZNQCLSA-N 317.414 1.702 0 40 DDAB Cc1cc(CN2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)on1 95402260 UBDNEWILLRFITA-ZDUSSCGKSA-N 317.393 1.950 0 40 DDAB C[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 95408906 NJQAKGILDAJCOP-RISCZKNCSA-N 319.380 1.819 0 40 DDAB CCOCCC(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1 95402091 UDWNVQWGSCJDMS-LBPRGKRZSA-N 313.423 1.233 0 40 DDAB CN(C)c1nnc(-c2ccc(NC(=O)Cc3ccn[nH]3)cc2)o1 95453465 FZJHPZLRONXLME-UHFFFAOYSA-N 312.333 1.707 0 40 DDAB Cn1cc(CCNC(=O)N[C@H]2CCOC3(CCCC3)C2)cn1 95426122 HCJWQAUKYCGXHO-AWEZNQCLSA-N 306.410 1.754 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2(O)CCSCC2)n1 95979184 IAFSJYCJLWGKAU-NSHDSACASA-N 311.451 1.510 0 40 DDAB CCOC(=O)N1CCc2nn(CCOC(C)(C)C)c(=O)cc2C1 95946369 MYXDONDZSQNWGS-UHFFFAOYSA-N 323.393 1.573 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(N)=O)cc1 24728212 IVGDYNWJNPRSSH-LBPRGKRZSA-N 307.350 1.495 0 40 DDAB CCc1nc(CC)n(CC(=O)NC[C@H]2Cc3ccccc3O2)n1 89289976 CDFSIQYRZJVSFV-CYBMUJFWSA-N 314.389 1.523 0 40 DDAB Cc1ccccc1CCC(=O)N1CCCN(S(C)(=O)=O)CC1 74880601 KLVVQKDVEQMESA-UHFFFAOYSA-N 324.446 1.422 0 40 DDAB COc1cccc(C(=O)NC[C@@H](O)c2ccccn2)c1OC 89471473 QPXUQWPGDAQWEE-CYBMUJFWSA-N 302.330 1.562 0 40 DDAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)C1=NN(C)C(=O)CC1 89930020 INSQZLRYEUMIOG-GFCCVEGCSA-N 314.389 1.856 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H]2CN(C)C[C@@H]2C)c(C)c1C 76058330 FYQQGXQNMFIZJO-GXFFZTMASA-N 312.435 1.540 0 40 DDAB Cc1cc(=O)oc2ccn(C[C@@H](O)c3cccc(O)c3)c(=O)c12 1547212330 FBKDRCLIDOESDQ-CYBMUJFWSA-N 313.309 1.702 0 40 DDAB biogenic COc1ccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1 122820532 ZKQWZZOAMGSYSK-UHFFFAOYSA-N 324.446 1.695 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(CO)CO 218375395 SICUHXXZRZUCOH-NEPJUHHUSA-N 304.795 1.212 0 40 DDAB Cc1cc2c(s1)c1cnn(CC(=O)N(C)C)c(=O)c1n2C 72334546 LVZNEGVAMAESNY-UHFFFAOYSA-N 304.375 1.346 0 40 DDAB O=C(c1cccc(F)c1)N1CCOC[C@H](Oc2cnccn2)C1 77265773 DJUVWZQXBICCCP-CQSZACIVSA-N 317.320 1.536 0 40 DDAB biogenic,in-vitro COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CC[C@@H]([C@@H](C)O)C1 540957491 VHIWQJWSPROXNC-UPJWGTAASA-N 305.374 1.791 0 40 DDAB COc1ccc(-c2cnnc(N3CCN(C)[C@H](C)C3)n2)cc1F 39443027 BCICZEPLOGZQRZ-LLVKDONJSA-N 317.368 1.827 0 40 DDAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc2c1OCO2 66091463 SMVATRJLDYNQAL-JTQLQIEISA-N 315.329 1.940 0 40 DDAB CN(C)c1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1 78706854 GACRPKVVDKYQFF-UHFFFAOYSA-N 312.373 1.445 0 40 DDAB NCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F 122703904 KYSDLLLEQOYXFQ-UHFFFAOYSA-N 300.277 1.472 0 40 DDAB O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCCS1(=O)=O 76823423 FEBYJHGYGMBXFX-KOLCDFICSA-N 301.314 1.630 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN(c2ccccn2)C1 79293240 XHXITOYUIWHVHE-OLZOCXBDSA-N 305.378 1.366 0 40 DDAB COc1cccc(-c2nccc([C@@H]3CCCN3CC(N)=O)n2)c1 72379430 PGRRQYUUQDVJFR-HNNXBMFYSA-N 312.373 1.774 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](C(N)=S)[C@@H]1c1ccc2c(c1)OCO2 218151292 XGPBHCZJTVKDJQ-QJPTWQEYSA-N 313.400 1.218 0 40 DDAB O=C1CS[C@H]2CCc3c2n1c(=O)n(C1CCCCC1)c3=O 41105018 SDZRMRQZNYBCFO-NSHDSACASA-N 306.387 1.890 0 40 DDAB Cc1csc(C(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c1 75163156 JBPZHGFTIVQKMX-UHFFFAOYSA-N 315.358 1.588 0 40 DDAB CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1nnc(C)n1C1CC1 569512955 GLWQCDBNGZHXNE-ARFHVFGLSA-N 320.437 1.937 0 40 DDAB CC(C)S(=O)(=O)CCCN1C(=O)N[C@](C)(C(C)(C)C)C1=O 193739233 KSDGTPTUHWOWGG-AWEZNQCLSA-N 318.439 1.556 0 40 DDAB CC(C)(C)C1=Nc2nnnn2C(=O)C=C(c2ccc(O)cc2)N1 226820411 YKCKOJNLLHBFNZ-UHFFFAOYSA-N 312.333 1.739 0 40 DDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)C1CC1 85467636 SFXAJUDKFTWJOO-CQSZACIVSA-N 305.353 1.288 0 40 DDAB C[C@H](Cc1cnn(C)c1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O 333916164 NCPORKPNPNDHAE-UNQGMJICSA-N 316.405 1.946 0 40 DDAB Nc1nc(S[C@H]2CCCN(Cc3ccccc3)C2=O)n[nH]1 89660648 GLWKOPQOVRIISV-NSHDSACASA-N 303.391 1.670 0 40 DDAB Nc1nc(SCc2cn(-c3ccc(Cl)cc3)nn2)n[nH]1 96467293 JSEKLHZEAZVAIZ-UHFFFAOYSA-N 307.770 1.913 0 40 DDAB O=C1N[C@H](c2cc(Cl)cc3cccnc23)N2CCOC[C@H]12 93883421 MKZQNZOURHADFH-OCCSQVGLSA-N 303.749 1.717 0 40 DDAB CC1(C)[C@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)C[C@H]21 96439696 LATBFGLDNAYIAH-OKILXGFUSA-N 307.438 1.980 0 40 DDAB Cc1cccc(NC[C@H]2CCN(Cc3nnnn3C3CC3)C2)n1 97200932 QUBSGZNHJLJSHQ-CYBMUJFWSA-N 313.409 1.645 0 40 DDAB Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]2CCCN(C)C2)c1 96475109 WXONWYZPPDMVQR-HUUCEWRRSA-N 306.406 1.193 0 40 DDAB c1coc(CN2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)c1 96063426 RTOFSRAQNJELBS-CVEARBPZSA-N 318.377 1.321 0 40 DDAB O=C(c1ccncc1)N1CCc2ncnc(N3CCCC3)c2CC1 96084018 BIAYLVCQYNQYSK-UHFFFAOYSA-N 323.400 1.713 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OC 96041427 PDNOGUQPFMHTKB-JJRVBVJISA-N 323.364 1.782 0 40 DDAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1ccccn1 95474882 MUWAGOYMXJVPOX-UHFFFAOYSA-N 312.304 1.361 0 40 DDAB CCOc1cc2c(cc1Cn1cnnc1[S@@](C)=O)O[C@H](C)C2 96408053 HURGJDQOJIFIIE-STFLBKPXSA-N 321.402 1.786 0 40 DDAB O=C(c1cocn1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247874645 SOIVTMSAXKVHCX-GFCCVEGCSA-N 315.329 1.380 0 40 DDAB COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CCCCN1C(N)=O 252494008 NIHXGAUJGPFGOE-CMPLNLGQSA-N 323.368 1.945 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2ccoc2C)O1 252503898 VHANRGXNMZOLCN-QQUHWDOBSA-N 307.346 1.912 0 40 DDAB Cc1ccnn1CCC(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257305355 SPPNXIYPZREXKQ-CQSZACIVSA-N 301.394 1.786 0 40 DDAB O=C(CC1CC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257213349 CHEKHXKPGUWDIH-AWEZNQCLSA-N 302.365 1.481 0 40 DDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nc(C)cn2C)C1 257200936 AFKCHDWJOQKCMK-NSHDSACASA-N 321.406 1.356 0 40 DDAB CCn1nccc1-c1cncc([C@@H]2CCCN2S(C)(=O)=O)n1 257335818 YMAGNFPLHHGLDP-AWEZNQCLSA-N 321.406 1.457 0 40 DDAB COc1ccccc1CC(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 257227731 FQQFYPJBQXEHEP-CQSZACIVSA-N 315.373 1.869 0 40 DDAB O=C1CC[C@@H](C(=O)NCCc2ccccc2C(F)(F)F)N1 64782600 JPQHDPGQIUCSBI-NSHDSACASA-N 300.280 1.643 0 40 DDAB Cc1cc(C(=O)N2CCOC[C@H]2CCc2cnccn2)on1 257233015 GNJXVGKEDXNEDS-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB CN1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 585112294 MYNWNYPXZLXSFP-CQSZACIVSA-N 320.418 1.238 0 40 DDAB COC[C@@]1(CC(=O)Nc2c(C)nn(C)c2C)CCCN1C(C)=O 585280598 KZZZJBIHYUTUKE-INIZCTEOSA-N 322.409 1.393 0 40 DDAB O=C([C@@H]1CCCS1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093713 AAUBQWHHLFRLLV-KGLIPLIRSA-N 310.463 1.187 0 40 DDAB C[C@@H](c1nc(-c2ccncc2)n[nH]1)n1cc(C(=O)O)ccc1=O 585261615 AVDPGIKYDIBRIZ-VIFPVBQESA-N 311.301 1.336 0 40 DDAB O=C(NC1CC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29564392 VBABBWGMZDKEHY-OLZOCXBDSA-N 308.378 1.247 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)o1 71870446 BXLLFGDQJALSAT-CABCVRRESA-N 319.405 1.615 0 40 DDAB Cn1nc(-c2ccccn2)cc1CNC(=O)c1cccn(C)c1=O 1775986033 QCQOQORICIKBPA-UHFFFAOYSA-N 323.356 1.111 0 40 DDAB Cc1ccccc1OCC(=O)N1CCN(C[C@H](O)C2CC2)CC1 85436649 PYQQIANGKQQAAV-INIZCTEOSA-N 318.417 1.289 0 40 DDAB O=S(=O)(Nc1ccnc2ncnn12)c1ccc(Cl)s1 96013488 XCKPHKMKDSHEJT-UHFFFAOYSA-N 315.767 1.640 0 40 DDAB COc1cc(OC2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C 554613396 GFUDDAPSXYTGLZ-QMTHXVAHSA-N 318.373 1.633 0 40 DDAB O=C1[C@H]2C[C@H]2C(=O)N1C[C@@H](O)c1ccccc1Br 89583176 CYJYMVSGKWGIGM-WCABBAIRSA-N 310.147 1.487 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(F)c1 5016132 WFCCUGQKQGXTDG-GFCCVEGCSA-N 303.297 1.664 0 40 DDAB CC(C)[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5274083 LZDNBBYBDGBADK-ZIAGYGMSSA-N 303.362 1.263 0 40 DDAB endogenous,in-man O=C(Cn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 5822429 UMCZCTVLNYHIEM-UHFFFAOYSA-N 306.337 1.461 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(OC(C)C)cc2)C1=O 14095063 DAQSVAYFHHGXCD-MRXNPFEDSA-N 319.361 1.839 0 40 DDAB COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O 14642912 ZHDMPVIDHWJGTN-XJKSGUPXSA-N 304.298 1.849 0 40 DDAB endogenous,in-man O=C(O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1COc2ccccc2O1 11949618 KQASILUCSRZYAD-JHJVBQTASA-N 319.357 1.834 0 40 DDAB CNC(=O)c1cccc(CN2C[C@@H](CN)C3(CCOCC3)C2)c1 573921177 LYIMOJMYGGASLR-MRXNPFEDSA-N 317.433 1.234 0 40 DDAB CC(=O)NCC(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575615693 GGICWFWZJPSDFX-UHFFFAOYSA-N 316.308 1.115 0 40 DDAB Cc1[nH]c(C(=O)NCC(=O)NC(C)C)c(C)c1C(=O)OC(C)C 12615330 ADHOXRIZQAPSTQ-UHFFFAOYSA-N 323.393 1.451 0 40 DDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(F)cn2)nn1 1888843391 IGTPWYXCPBUZQU-PBWFPOADSA-N 318.356 1.726 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2nc3cnccc3s2)CC1 1889139377 MXSAUQAVJXKVLM-UHFFFAOYSA-N 324.431 1.306 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCN(Cc2cccs2)CC1 20544246 YRRSLJLUZATREX-ZDUSSCGKSA-N 309.435 1.754 0 40 DDAB O=S(=O)(NCCO)c1ccc(Cl)c(Cl)c1Cl 41096052 QZJXMERVUKSXIB-UHFFFAOYSA-N 304.582 1.917 0 40 DDAB Cc1cc(COC(=O)Cn2c(=O)n(C)c3ccccc32)no1 21931009 AFFTWRJPPPKFBZ-UHFFFAOYSA-N 301.302 1.380 0 40 DDAB CCOCC(=O)NCc1nnc2ccc(-c3cccs3)nn12 238849097 JARNZMGTXBDVSE-UHFFFAOYSA-N 317.374 1.506 0 40 DDAB Cc1nc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)cs1 1565551863 TVOVVCMDQOUOAI-KGLIPLIRSA-N 307.419 1.387 0 40 DDAB NC(=O)Cn1c(CO)cnc1SCc1ccc(Cl)cc1 9827672 GNNZZDWZXYPLKR-UHFFFAOYSA-N 311.794 1.806 0 40 DDAB Cc1cc(CN2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)no1 2086886944 HRKGNZZCKBCDLQ-CYBMUJFWSA-N 313.423 1.371 0 40 DDAB Cc1cc(CN2CCN(c3cccc(-n4cccn4)n3)CC2)no1 2298053049 JNRQULSHKQCXQP-UHFFFAOYSA-N 324.388 1.886 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC3CC3)C2)n(C(C)C)n1 2332241707 WRLNZXHXYBQPND-IACUBPJLSA-N 321.425 1.626 0 40 DDAB CC(C)OC(=O)CCCc1ccc(N(CCO)CCO)cc1 33611513 QDRCRYJKFQEJNJ-UHFFFAOYSA-N 309.406 1.752 0 40 DDAB COCCn1nc(C(=O)Nc2ccc3c(c2)CCC3)ccc1=O 30065547 IGRXHQNZTQYMHD-UHFFFAOYSA-N 313.357 1.631 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccco1 30847453 XRSBKOCTOJHEDU-WDEREUQCSA-N 310.350 1.102 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OCCOCC)C1 50691932 JGYROTGKQLMYBM-UONOGXRCSA-N 314.426 1.193 0 40 DDAB O=C(NCCNc1ncccn1)c1cc(Br)c[nH]1 40535573 NHRMICRVZTVAJK-UHFFFAOYSA-N 310.155 1.409 0 40 DDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1ccc(C(F)(F)F)n1 40541216 CNXCUDJDNVMBSA-JTQLQIEISA-N 305.300 1.787 0 40 DDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2)no1 40528892 SJHZNGUJPJCRQF-LBPRGKRZSA-N 322.386 1.603 0 40 DDAB C[C@@H](NS(=O)(=O)N1CCOCC1)c1cc(F)ccc1F 40520533 IEKPQDCODVTUET-SECBINFHSA-N 306.334 1.192 0 40 DDAB C[C@@H]1[C@@H](OC(=O)CN2CCC(=O)NC2=O)C[C@H]2C[C@H]1C2(C)C 101055902 BSMMNNNPGZWSEC-QCNOEVLYSA-N 308.378 1.542 0 40 DDAB COc1ccc(Nc2nc(NCCO)c3nc[nH]c3n2)cc1 32124357 WWUQHFBJOHWYLK-UHFFFAOYSA-N 300.322 1.509 0 40 DDAB biogenic C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc[nH]c2=O)C1 54224513 INGNPJLRXJHBNQ-ZFWWWQNUSA-N 311.385 1.940 0 40 DDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)[nH]n1 47555507 FQGJKANZQUMVJD-UHFFFAOYSA-N 322.390 1.657 0 40 DDAB COC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 421267 FTGFDMQYRMUKFK-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB CC(C)[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 518939 XWIKLCBUBMKYRT-HNNXBMFYSA-N 319.313 1.397 0 40 DDAB biogenic C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCC2 42747484 RQOLHJSMJANLSR-BXUZGUMPSA-N 322.430 1.450 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)C(N)=O 78965174 QWYDDPLEYCOOOJ-NOZJJQNGSA-N 316.361 1.675 0 40 DDAB O=C(NCc1cccnc1)[C@@H](Cc1ccccc1)n1cnnn1 24426850 XXAXFJYTCVLMCM-OAHLLOKOSA-N 308.345 1.168 0 40 DDAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN(CCO)CCO 2694467 BWBYPUBKWIJSCS-HUUCEWRRSA-N 311.422 1.226 0 40 DDAB CCC[C@@H](C)NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 24954196 QHNZHJVAXJXIDL-LLVKDONJSA-N 323.418 1.745 0 40 DDAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCO1 56273088 VDVXCAOYVCLSMC-LSDHHAIUSA-N 305.374 1.846 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OC(C)(C)C(=O)N2 57280402 OGMKXDYGDIKWRP-SECBINFHSA-N 312.391 1.873 0 40 DDAB CC[C@@H]1CN(C(=O)COc2cccc(C(=O)NC)c2)CCO1 58084887 STALCUBXBRMGME-CYBMUJFWSA-N 306.362 1.062 0 40 DDAB CC(=O)N1CCCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 27564772 UCQXJUAAGBKBTD-UHFFFAOYSA-N 306.391 1.039 0 40 DDAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCCCC1 58135016 KZEGWQDKJUKIRU-GXDHUFHOSA-N 322.430 1.979 0 40 DDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 21820480 MMGKRYCQDAHNTG-GFCCVEGCSA-N 310.419 1.886 0 40 DDAB CCNC(=O)CN(CC)C(=O)NCCOc1cc(C)cc(C)c1 58209779 CKSWQXNFJCTOBF-UHFFFAOYSA-N 321.421 1.850 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCCCNC1=O 44968193 XDJZIEUABLGYHV-GFCCVEGCSA-N 319.361 1.225 0 40 DDAB CCOCCO[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 44979699 PMTXKFKSHZTWJY-QWRGUYRKSA-N 322.361 1.786 0 40 DDAB CCOc1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 58403140 NWDVLQNEYLQIJE-ZBFHGGJFSA-N 304.390 1.678 0 40 DDAB CCC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 36395355 OADJQNXBBTVRNS-LLVKDONJSA-N 303.362 1.667 0 40 DDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccn2)n1 27666195 PNRGMYMBSNJZOO-UHFFFAOYSA-N 312.738 1.181 0 40 DDAB Cc1cccc(C)c1N1C(=O)C[C@H](SC[C@@H](N)C(=O)O)C1=O 100855843 DHDHSPBGJVJFAN-MNOVXSKESA-N 322.386 1.080 0 40 DDAB CC1=NNC(=O)[C@H]1C(c1ccccc1Cl)[C@H]1C(=O)NN=C1C 100922663 HJKZSTIQINGLLG-FUNVUKJBSA-N 318.764 1.667 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2cnccn2)no1 48139610 VFRJIOWULIGKSI-ZDUSSCGKSA-N 301.350 1.573 0 40 DDAB CC(C)Cc1noc(CN2C(=O)N[C@]3(CCSC3)C2=O)n1 29352784 QSWAMQFOBIABTL-ZDUSSCGKSA-N 310.379 1.196 0 40 DDAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)NC(=O)NC)c1C 58137542 YLUBXHYAANXDFP-SNVBAGLBSA-N 322.365 1.819 0 40 DDAB COC(=O)c1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1 29466163 UHOHGDWLZGXNET-UHFFFAOYSA-N 307.737 1.865 0 40 DDAB Cc1cc(N(C)C)ccc1NC(=O)NCc1nnc2n1CCC2 46030619 LJSHOKZKRVTMJO-UHFFFAOYSA-N 314.393 1.920 0 40 DDAB COc1cccc(NC(=O)CSc2nc(O)nnc2C)c1 11990609 MQQQCHYBWAAWTG-UHFFFAOYSA-N 306.347 1.625 0 40 DDAB CC(C)[C@@H](NCc1nccn1C(C)C)C(=O)N1CCOCC1 95985486 ONNAHGHEICRVEQ-OAHLLOKOSA-N 308.426 1.437 0 40 DDAB CS(=O)(=O)Nc1nnc(NC(=O)C[C@@H]2C=CCC2)s1 47293469 QBPWILXKTDZDSY-SSDOTTSWSA-N 302.381 1.204 0 40 DDAB Cn1cccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)c1=O 49504129 VEYATJKDMUUZGR-LBPRGKRZSA-N 306.362 1.191 0 40 DDAB Cc1[nH]c2ccc(CNC(=O)CN3CSCC3=O)cc2c1C 64901718 OXFJOPZGZPQSEE-UHFFFAOYSA-N 317.414 1.934 0 40 DDAB O=S(=O)(Cc1ccccc1F)NC[C@@H](O)Cc1ccccc1 95432979 MLXUOJRFYJTZFL-HNNXBMFYSA-N 323.389 1.849 0 40 DDAB COC[C@@H](O)CN(C)C(=O)NCc1cnn(-c2ccccc2)c1 65417395 YNOSYNPDEOGKPA-HNNXBMFYSA-N 318.377 1.021 0 40 DDAB COc1ccc(CCNC(=S)NCCCn2ccnc2)cc1 6314288 ZQVIPCKKUBUENO-UHFFFAOYSA-N 318.446 1.989 0 40 DDAB O[C@@H](COC[C@@H]1CCCO1)CN1CCC(Cn2cccn2)CC1 65593894 KODAXIRSLTZWAR-SJORKVTESA-N 323.437 1.152 0 40 DDAB Cc1cnc(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)cn1 65532179 MSKDMZICXYFXDH-UHFFFAOYSA-N 316.405 1.650 0 40 DDAB COc1ccc([C@@H]2CCCN2Cc2nc(N)nc(N)n2)cc1 14158234 MHLXMMPZWIGRCM-LBPRGKRZSA-N 300.366 1.382 0 40 DDAB Cc1nn([C@H](C)C(=O)NCc2cc[nH]n2)cc1Br 6413274 DENBQJQWPMUMDI-MRVPVSSYSA-N 312.171 1.555 0 40 DDAB NC(=O)C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 6590808 QGTRVBIJZRIVSK-UHFFFAOYSA-N 302.374 1.278 0 40 DDAB Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 5698227 UVYXCPHXUROKJW-UHFFFAOYSA-N 312.435 1.984 0 40 DDAB CC1CCN(C[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1 66482075 OBPOSZOKMMBHBP-HNNXBMFYSA-N 322.449 1.789 0 40 DDAB CC(C)n1cc([C@H](C)NC2CCN(CC(=O)N(C)C)CC2)cn1 95422255 YCBRZKWNMJEMAJ-AWEZNQCLSA-N 321.469 1.667 0 40 DDAB NC(=O)[C@H]1CCC[C@H](NC2CCN(c3nccs3)CC2)C1 90460923 VPEWEHMQWSIWFZ-AAEUAGOBSA-N 308.451 1.746 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnn(C)c2)cc1 8056956 ZRNCEPIMOHJSNH-UHFFFAOYSA-N 322.390 1.359 0 40 DDAB Cc1cnn(C[C@@H](C)NCc2cnc(N3CCCC3)nc2)c1 69490154 DUTLDTPCIPOLCP-CQSZACIVSA-N 300.410 1.760 0 40 DDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@H](n2cccn2)C1 69433285 NVMNNCCZRBXFPR-HNNXBMFYSA-N 309.373 1.937 0 40 DDAB CC[C@H]1CN(CCOc2ccccc2F)CCN1C[C@@H](C)O 71864661 HUNPOZIJRWGYML-CABCVRRESA-N 310.413 1.982 0 40 DDAB O=C(c1cccnc1-n1cccn1)N1CCN(CC2CC2)CC1 71818246 CUGXIBWSBVQBNH-UHFFFAOYSA-N 311.389 1.435 0 40 DDAB COc1ccc(C2(C(=O)N3CCNC(=O)C3)CCCCC2)cc1 71839237 TYMNMJYGAVTJEN-UHFFFAOYSA-N 316.401 1.856 0 40 DDAB O=C(CC1CCCCC1)NCCNC(=O)NCc1cccnc1 69621838 PVVZOIHWBMQWJZ-UHFFFAOYSA-N 318.421 1.967 0 40 DDAB CO[C@@H](C(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1 69771993 QREMCGXCOGUJBI-OAHLLOKOSA-N 306.406 1.289 0 40 DDAB O=S(=O)(CCN1CCC[C@H]1Cn1cccn1)C(F)(F)F 71876975 ZNHYAIVHGKHZAO-JTQLQIEISA-N 311.329 1.282 0 40 DDAB CCN1CCN(CCC(=O)Nc2ccc(OC)cc2OC)CC1 19900042 UBMNVUXPKLTOKF-UHFFFAOYSA-N 321.421 1.670 0 40 DDAB Cn1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 74392588 CWMBGKJSPCSXPK-UHFFFAOYSA-N 323.400 1.793 0 40 DDAB CC(C)CC(=O)Nc1sc2c(c1C(=O)OCC(N)=O)CCC2 9883551 ZJTVYVFTHHCTEQ-UHFFFAOYSA-N 324.402 1.864 0 40 DDAB COCCS(=O)(=O)Nc1cnc(Br)c(C)c1 97083582 XFRJJBCSDGJVLZ-UHFFFAOYSA-N 309.185 1.541 0 40 DDAB O=C(NCCOCCO)c1cccc(Br)c1Cl 97058593 BQNJLPXFDARIFV-UHFFFAOYSA-N 322.586 1.841 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H]1C(C)C 72274089 WJQSXHSYUXPGSW-AWEZNQCLSA-N 316.405 1.829 0 40 DDAB CCc1nc([C@H](C)N(CC(=O)OC)CC(=O)OC)cs1 95946505 UKRBEEJTYZNDJN-VIFPVBQESA-N 300.380 1.415 0 40 DDAB COc1ccc(NC(=O)CCCNC(=O)c2cnccn2)cn1 72404125 CYVBRQZHHPQLPU-UHFFFAOYSA-N 315.333 1.029 0 40 DDAB CCc1nc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)no1 95994139 MHGZQOCHUAVUAX-UHFFFAOYSA-N 319.346 1.619 0 40 DDAB O=C(Cc1ccn[nH]1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 89884747 WWZJRUKZTNGDKP-AWEZNQCLSA-N 304.394 1.250 0 40 DDAB OCCc1cc(CC2(NCc3ccccc3F)COC2)no1 67897750 FLJHEIUCAXOSNW-UHFFFAOYSA-N 306.337 1.450 0 40 DDAB biogenic,in-vitro COC(=O)[C@@H]1[C@H](O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1 3849525 GNPCSSKRAOAHCO-ZNMIVQPWSA-N 315.325 1.513 0 40 DDAB biogenic Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccco3)n[nH]2)co1 524733271 CLABKAJCDPJVLQ-UHFFFAOYSA-N 316.273 1.344 0 40 DDAB C[C@H](Cc1ccccc1F)NC(=O)N1CCC[C@@H](OCCO)C1 187724576 GPINFFJZUMFDJM-UKRRQHHQSA-N 324.396 1.940 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 72341467 ZNDKDDDFWCYFPL-RWMBFGLXSA-N 301.390 1.552 0 40 DDAB Cc1cccc(C(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)c1 71980073 OWAXRQCXBVAQKE-AWEZNQCLSA-N 318.373 1.343 0 40 DDAB O=C(CCc1ccccc1F)N1CC(Nc2ncccn2)C1 238811024 AHTIZIDKLASCLR-UHFFFAOYSA-N 300.337 1.871 0 40 DDAB COC[C@@H]1CCCN(CC(=O)NCc2ccccc2OC)C1 79091144 KJBBSSIQAWHNGK-CQSZACIVSA-N 306.406 1.670 0 40 DDAB CC(C)NC(=O)[C@]1(C)CC(c2cnc(NC(C)C)nc2)=NO1 226084473 IBISFNNIRNDUDZ-HNNXBMFYSA-N 305.382 1.705 0 40 DDAB O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)cn1 227116051 XHVNMUOSICVODT-UHFFFAOYSA-N 314.389 1.324 0 40 DDAB O=C(Nc1cccc2nsnc12)c1nnn(-c2ccccc2)n1 75163261 KGPUZVINSDLTHN-UHFFFAOYSA-N 323.341 1.919 0 40 DDAB CNC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 225880456 BIUUJBVUQOYAJE-UHFFFAOYSA-N 321.328 1.248 0 40 DDAB Cc1ccc(-n2cnc(C(=O)NCCN3CCOCC3)c2)cc1 227116232 AUTGQDPJENOWBJ-UHFFFAOYSA-N 314.389 1.243 0 40 DDAB CN1CCC[C@]2(CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)C2)C1 333830833 LEHYEWQSRNLQAT-GUYCJALGSA-N 317.437 1.394 0 40 DDAB O=C(CCNc1ncccn1)Nc1ccc(Cn2cncn2)cc1 95478755 IFQLYKAZQBLGBP-UHFFFAOYSA-N 323.360 1.557 0 40 DDAB COc1ccc(CN2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)cc1 96219706 LQKPGVQIWDUWSZ-DOTOQJQBSA-N 314.389 1.893 0 40 DDAB CN(C)CCOCc1nnc2n1CCN(Cc1ccoc1)CC2 96058864 BOCIRQTYPJNFJH-UHFFFAOYSA-N 319.409 1.008 0 40 DDAB Cc1ccoc1C(=O)NCCCNC(=O)COc1ccccc1 96413996 MCZWIQDSJACRQG-UHFFFAOYSA-N 316.357 1.903 0 40 DDAB COCC(=O)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 96051910 OCUQVEYMXADSRT-WMLDXEAASA-N 320.389 1.505 0 40 DDAB CCC[C@H](NC(=O)c1coc(Br)c1)c1nnn[nH]1 96466446 SJIISYWGEXFPMD-ZETCQYMHSA-N 314.143 1.826 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)c1noc3c1CCCC3)CC2 97198253 OADYXJCTAKPIFY-SNVBAGLBSA-N 315.377 1.452 0 40 DDAB O=C(c1ccccc1-n1ccnn1)N1CCC[C@@H](n2cccn2)C1 97372655 QVVXUXMCYUAZKX-CQSZACIVSA-N 322.372 1.941 0 40 DDAB O=S1(=O)CCCN1Cc1nn(-c2ccccc2)c2c1CCC2 95397275 YFRIHFWORFOIHP-UHFFFAOYSA-N 317.414 1.897 0 40 DDAB CC1(C)CN(C(=O)NC[C@]2(C)CCC(=O)N2)[C@H]1c1cccnc1 333599063 CKJDIUWIGRKQHS-YOEHRIQHSA-N 316.405 1.843 0 40 DDAB C[S@](=O)c1nncn1CC(=O)c1ccc(OC(F)F)cc1 96447763 NGYHQUHVXLIIIC-OAQYLSRUSA-N 315.301 1.500 0 40 DDAB Cc1occc1C(=O)N1Cc2nccn2C[C@@H](CN(C)C)C1 96188225 GCRBQGWZUBWPRH-CYBMUJFWSA-N 302.378 1.618 0 40 DDAB Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)nc1 96186462 GYFOVNRVIIYHCG-GJZGRUSLSA-N 309.373 1.954 0 40 DDAB CC1(C)CN(C(=O)NC[C@@]2(C)CCC(=O)N2)[C@H]1c1cccnc1 333599061 CKJDIUWIGRKQHS-WMLDXEAASA-N 316.405 1.843 0 40 DDAB O=C(Nc1cnccn1)[C@H]1CO[C@H]2CCN(C3CCC3)C[C@H]2C1 96066042 TVNKXEFJAZMLOB-NFAWXSAZSA-N 316.405 1.695 0 40 DDAB COc1ccccc1O[C@@H](C)CNC(=O)Cc1cnn(C)c1 96431689 UVESGIZQFFQDSZ-LBPRGKRZSA-N 303.362 1.555 0 40 DDAB Cc1cc(N2CCN(CCOC[C@@H]3CCCO3)CC2)nc(C)n1 96421082 HGWXAJRJQLCLFD-INIZCTEOSA-N 320.437 1.411 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1ccccc1C)C2 248041800 VELFLFSRYUNWTA-CYBMUJFWSA-N 311.403 1.564 0 40 DDAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 245338723 OALGXHDSXGXWEY-IAOVAPTHSA-N 313.401 1.940 0 40 DDAB Cc1nccc([C@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)n1 257239145 HODDEYXRSUTRMG-CYBMUJFWSA-N 321.768 1.235 0 40 DDAB CC(=O)NCC(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257259492 KYQNBERZJGPPDO-MAZHCROVSA-N 320.364 1.578 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)Cn3cccn3)cn2)CCCCO1 257223698 DYOAUMNXLGNTBQ-INIZCTEOSA-N 315.377 1.405 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCN1CC=CCC1 280364299 YJVJGPAFFHACHJ-XJKSGUPXSA-N 302.374 1.593 0 40 DDAB CCOc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1F 96025514 XGDYVSVRMLHOPX-UHFFFAOYSA-N 323.349 1.719 0 40 DDAB COc1ncnc2c1CCN(C(=O)c1ccnc(F)c1)CC2 585110505 QQQNHQZSOBDFNN-UHFFFAOYSA-N 302.309 1.260 0 40 DDAB CN(C(=O)c1cncc(-c2cnn(C)c2)c1)C1CCOCC1 585182366 QXQHBXIMGLKWBE-UHFFFAOYSA-N 300.362 1.733 0 40 DDAB CN(C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 31506463 BKJRLNIWKLQIHM-UHFFFAOYSA-N 301.350 1.002 0 40 DDAB Cn1cc(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)cn1 72276259 WQCCGCYXNIKVOP-CQSZACIVSA-N 316.409 1.216 0 40 DDAB CSCCC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 44943673 KCODZLUZNLOWQG-LBPRGKRZSA-N 309.435 1.676 0 40 DDAB COCC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 49244592 LZHHHOODPIBJAZ-UHFFFAOYSA-N 304.390 1.327 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@H](C)CN2CCCC2=O)n1 58264789 AVKACPOOTOOVHR-GFCCVEGCSA-N 322.434 1.313 0 40 DDAB CCCc1nnsc1C(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85436576 XJSFQWLYDDQFKX-CYBMUJFWSA-N 324.450 1.019 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCc3ccc(Br)cc32)N1 79002243 AETAJMCDYPESKW-JTQLQIEISA-N 309.163 1.617 0 40 DDAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)n[nH]c1N 5634112 FIWQMLOOPKLENJ-UHFFFAOYSA-N 324.362 1.278 0 40 DDAB COCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1N 11692188 LWFABNSMZHLIKQ-UHFFFAOYSA-N 308.769 1.874 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCc2nc3ccncc3cc2C1 12222872 COZAIPQSBVGJEL-UHFFFAOYSA-N 307.357 1.870 0 40 DDAB O=C(NCC1CC1)C1CN(C(=O)CCc2ccccc2F)C1 19747468 MKRCVSPPUINUIV-UHFFFAOYSA-N 304.365 1.743 0 40 DDAB C[C@@H]1CN(CC(=O)N2CCOCC2)c2cccc(Cl)c2O1 572886139 AGEVBZQYDBBTSY-LLVKDONJSA-N 310.781 1.786 0 40 DDAB COc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)C(C)C 3357574 OONNWRPDUXQEFZ-CMDGGOBGSA-N 305.330 1.550 0 40 DDAB Cc1ccccc1CN1CCO[C@H](C(=O)N2CCSCC2)C1 1888844479 UQLIAYGVUXBURT-INIZCTEOSA-N 320.458 1.771 0 40 DDAB Cc1ccc(N2C[C@H]3CN(c4ncncc4F)C[C@@H]3C2)nn1 1888853786 QIFZPIUISWLTNC-RYUDHWBXSA-N 300.341 1.287 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCO[C@@H](C)C1 24014608 WQIZELBEQNLAMP-NSHDSACASA-N 321.377 1.313 0 40 DDAB COc1ccccc1N1CCN(Cc2ccn(C)c(=O)c2)CC1 42112290 ZDFGIWCQEQDXKY-UHFFFAOYSA-N 313.401 1.716 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(O)c1 15545350 DKACSAXXOLOJSD-LBPRGKRZSA-N 308.359 1.367 0 40 DDAB NC(=O)C1CCN(CCCCNC(=O)NC2CCCC2)CC1 31093744 PITHRKDBFYKGHL-UHFFFAOYSA-N 310.442 1.206 0 40 DDAB CC(C)Oc1ccc(CCNC(=O)c2nccnc2N)cc1 31292522 PZOKUFYPCIVVTA-UHFFFAOYSA-N 300.362 1.819 0 40 DDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](C(F)(F)F)C1 40477277 FRUALRSAJPAVRL-BDAKNGLRSA-N 318.347 1.855 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 40498810 HCEJWISAWRDSDI-QWRGUYRKSA-N 315.366 1.144 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)c1ccc(F)cc1F 51280988 PRMFRUQSQWKRHM-OLZOCXBDSA-N 310.300 1.815 0 40 DDAB O=c1c(NCc2ccncc2)c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c1=O 101700470 ZTGFOBMIDLIUFS-MELADBBJSA-N 309.369 1.914 0 40 DDAB C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NC(C)(C)C 32776017 ORWWDHWPRQKMKA-ZJUUUORDSA-N 310.350 1.244 0 40 DDAB C[C@@H](C(=O)Nc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 32796962 BFKUPYDYYZKJLC-GWCFXTLKSA-N 315.366 1.747 0 40 DDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccco1 22955911 QPOHWXYYJKEMRB-UHFFFAOYSA-N 315.377 1.012 0 40 DDAB O=C(CNC(=O)c1cc[n+]([O-])cc1)Nc1ccc(Cl)cc1 54192495 ITFKVBZECDBMTL-UHFFFAOYSA-N 305.721 1.342 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1 54122139 IIBYISUGORJDKV-CYBMUJFWSA-N 303.366 1.679 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 54375470 CDLZGHBUUZCIRD-QWHCGFSZSA-N 319.405 1.343 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1CCN(c2cnccn2)CC1 42633243 JQRARHDTFPIBAF-LLVKDONJSA-N 318.406 1.082 0 40 DDAB C[C@H]1C[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 78549748 ZAOCZNMDIJSDSC-MYPMTAMASA-N 318.373 1.283 0 40 DDAB c1cc(-c2noc(CN3CCn4c(nnc4C4CC4)C3)n2)co1 78787895 XXSNQKINLWKFCM-UHFFFAOYSA-N 312.333 1.814 0 40 DDAB COc1cccc(OC)c1/C=C/C(=O)N1CCC(C(N)=O)CC1 1107601 LYCGQRPRWAFYTB-VOTSOKGWSA-N 318.373 1.441 0 40 DDAB CCOC[C@H](O)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 79099831 PXUFHSZIJDXZNB-DZGCQCFKSA-N 300.443 1.257 0 40 DDAB CCc1nnc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)o1 105865793 ISMBILMQAMUCDW-UHFFFAOYSA-N 318.425 1.300 0 40 DDAB O=C(NCc1nnc2n1CCC2)N1CC[C@@H]2CCCC[C@H]2C1 55077522 JMZJFNZJLQQISL-STQMWFEESA-N 303.410 1.946 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CCOC1 55337393 JMSHRKRUNDARFV-JTQLQIEISA-N 304.375 1.675 0 40 DDAB CC(C)c1nnc(N[C@@H](C(=O)N2CCOCC2)C(C)C)s1 95449473 LCAATBQDYYDBIT-LLVKDONJSA-N 312.439 1.957 0 40 DDAB NC(=O)Cc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1 25266243 UIZHJBNCHYBXJO-HNNXBMFYSA-N 313.332 1.937 0 40 DDAB CCN(CC)Cc1ccccc1NCC(=O)NC(=O)NC1CC1 55869429 CEEREUWWXBZESL-UHFFFAOYSA-N 318.421 1.929 0 40 DDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 6944688 AJOPWWOYEXJVEO-CYBMUJFWSA-N 312.435 1.920 0 40 DDAB Cn1nnnc1-c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2O)c1 58159859 GYNXFJULNVIQLM-STQMWFEESA-N 316.365 1.302 0 40 DDAB CNC(=O)Cn1cc(NC(=O)C2(c3cccc(C)c3)CC2)cn1 56084628 HPPRCDSDLAUUDH-UHFFFAOYSA-N 312.373 1.608 0 40 DDAB C[C@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H](C)O1 26396150 AXRHJSFXORVVQX-TXEJJXNPSA-N 301.346 1.032 0 40 DDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 107712099 XVAKKNDBBKGKHY-GJZGRUSLSA-N 317.451 1.634 0 40 DDAB NC(=O)c1nnc2sc(-c3ccccc3Br)nn12 57332592 UAPUWSTYAVLZET-UHFFFAOYSA-N 324.163 1.714 0 40 DDAB CCc1nnc(S[C@H](C)C(=O)c2ccc(OC)cc2)n1N 27525144 RCYOTKISMRMAPK-SECBINFHSA-N 306.391 1.926 0 40 DDAB O=C(NCCn1ccnc1)c1ccccc1OC[C@@H]1CCCO1 44896939 UBNLSKXPYUSNSK-AWEZNQCLSA-N 315.373 1.871 0 40 DDAB COc1ccc(CNC(=O)c2ccc(Cn3cncn3)cc2)cn1 10394807 JPHPVVQQMOSQCV-UHFFFAOYSA-N 323.356 1.660 0 40 DDAB CC(C)CS(=O)(=O)CCC(=O)NC[C@H](C)Cn1cccn1 58313428 QMIMUDZKFRNEPD-ZDUSSCGKSA-N 315.439 1.096 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 36297084 CIACPTBTFNNTEG-VIFPVBQESA-N 324.324 1.697 0 40 DDAB CCC(C)(C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 58646221 SPHBLBIBJGKWDG-UHFFFAOYSA-N 305.421 1.557 0 40 DDAB C[C@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)[C@@H](C)CO1 45447368 JDVCPULNWPWKQS-RYUDHWBXSA-N 317.345 1.139 0 40 DDAB C[C@H]1CN(c2ccc(CNC(=O)N3CCCC3)cn2)CCO1 45877540 KWXUFIVIFGIXIZ-ZDUSSCGKSA-N 304.394 1.612 0 40 DDAB NC(=O)C1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1 59781987 LHGMBZUSVKNAQF-UHFFFAOYSA-N 303.337 1.687 0 40 DDAB O=C1NCCCC[C@H]1Sc1nnc(N2CCCC2)n1C1CC1 11825597 PUXYTEYJDDYKPJ-GFCCVEGCSA-N 321.450 1.974 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)N3CCO[C@@H](C)C3)c(C)n2n1 29789969 CBYMCWUEIVIMHJ-LBPRGKRZSA-N 316.405 1.834 0 40 DDAB Cn1c(-c2ccccc2)nn([C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1=S 101624691 KNJBLGDOIPYGAI-SCDSUCTJSA-N 317.370 1.873 0 40 DDAB C[C@@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)NC(=O)CO2 46975819 AYRYPBFRHGZIIN-SECBINFHSA-N 315.333 1.301 0 40 DDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccn2cncc2c1 97144100 ZISVTBINNVFTCS-INIZCTEOSA-N 310.357 1.887 0 40 DDAB CCc1ccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 72332955 KYDOCNVDSFDLJB-GFCCVEGCSA-N 323.356 1.894 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@]2(CCCN(c3nncs3)C2)C1 107784277 LDJCZBBKUUCUDK-SWLSCSKDSA-N 322.434 1.394 0 40 DDAB Cc1nnc2ccc(N[C@@H]3CCO[C@@]4(CCSC4)C3)nn12 95426375 QFPLZRRPAOLWKD-RISCZKNCSA-N 305.407 1.899 0 40 DDAB CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCCN(C)CC1 95442121 CQJINMPELDAENB-HNNXBMFYSA-N 318.421 1.000 0 40 DDAB O=C(CCN1CCSC1=O)NC[C@H]1Cc2ccccc2O1 48303141 KYNPGFIOCZNVHG-GFCCVEGCSA-N 306.387 1.665 0 40 DDAB CNC(=O)[C@@H]1CCCN1C(=O)NCCCc1cccc(F)c1 95436908 RZYXUJMGVRVRSD-AWEZNQCLSA-N 307.369 1.678 0 40 DDAB CS(=O)(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 10335184 DEWDGOSQVZZEJA-WDMOLILDSA-N 308.403 1.977 0 40 DDAB NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482433 QDHFKGQTHNEIQH-UHFFFAOYSA-N 324.292 1.129 0 40 DDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(C(F)(F)F)c1 12951383 BYOSNNGEQWTLLW-UHFFFAOYSA-N 313.235 1.194 0 40 DDAB C[C@@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)CC1 63273344 KFDJNYOBFGLWCG-CYBMUJFWSA-N 304.390 1.742 0 40 DDAB COc1cccc(COCC(=O)N(CCC(=O)O)CC2CC2)c1 95424469 AGDYUWMSVSONMM-UHFFFAOYSA-N 321.373 1.925 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(c1ncnc3[nH]ncc13)CC2 95400832 MNNMZOJPWQKWAE-RYUDHWBXSA-N 303.366 1.109 0 40 DDAB COc1cc(CNC(=O)c2c[nH]cc2C)ccc1OCC(N)=O 65474908 JAUCCUXXTOVMAU-UHFFFAOYSA-N 317.345 1.126 0 40 DDAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 4475502 ZZLCCZQMKGMQQW-UHFFFAOYSA-N 319.382 1.472 0 40 DDAB CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)C1CCC1 65553145 ALFUKSJXOOIEIB-ZDUSSCGKSA-N 308.403 1.940 0 40 DDAB O=C1CC[C@H](C(=O)NCc2ccnc(OC3CCCC3)c2)N1 65562632 MPZZXSWKVOACKT-CYBMUJFWSA-N 303.362 1.298 0 40 DDAB Cc1ccoc1C(=O)NC1CCN(C(=O)Nc2cn[nH]c2)CC1 65552425 MSKOIOOTDBRXNZ-UHFFFAOYSA-N 317.349 1.737 0 40 DDAB C[C@H](O)CNCc1cc2ccccc2nc1N1CCOCC1 65549051 OZVFIVJBBCXLNZ-ZDUSSCGKSA-N 301.390 1.542 0 40 DDAB COCCN(C)CCNC(=O)/C=C/c1c(C)nn(C)c1Cl 65531984 IMMCYMFZKAZQKI-AATRIKPKSA-N 314.817 1.090 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc(F)c(Cl)c1 14110698 CRWMNLAMCWNWGX-UHFFFAOYSA-N 313.760 1.628 0 40 DDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1 65611045 SMGZTTVPADQIOI-OLZOCXBDSA-N 320.389 1.654 0 40 DDAB CCn1ccnc1CN1CCN(Cc2cn3ccccc3n2)CC1 65624443 YWFFQGKOYSYGLS-UHFFFAOYSA-N 324.432 1.869 0 40 DDAB CC(C)N(C)C(=O)[C@H](C)N1CCN(CC2CCOCC2)CC1 97212780 KRKMOBNVWBEGFH-HNNXBMFYSA-N 311.470 1.286 0 40 DDAB Cc1cc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)n(C)n1 97228522 JIALAWYKFVVLQT-OAHLLOKOSA-N 301.346 1.648 0 40 DDAB Cc1nsc(NC(=O)C2CCN(c3cnccn3)CC2)n1 96441076 JRRUGSQEYXGDDK-UHFFFAOYSA-N 304.379 1.492 0 40 DDAB COCCNC(=O)c1sccc1NC(=O)c1cnccn1 67335646 BMPKCXPZNOTREE-UHFFFAOYSA-N 306.347 1.167 0 40 DDAB CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 80190828 PTGPGDGZKVLCEQ-OLZOCXBDSA-N 311.813 1.989 0 40 DDAB c1ccc2sc(N3CCO[C@H](Cn4cncn4)C3)nc2c1 71859619 NAGMBFKSXSCJIR-NSHDSACASA-N 301.375 1.793 0 40 DDAB Cc1nn(CCO)c(C)c1CNCc1ccnc(N(C)C)c1 71825208 MYNIOLFUHUGVJM-UHFFFAOYSA-N 303.410 1.243 0 40 DDAB CC(=O)N1CCCN(C(=O)c2nc(C(C)C)ncc2Cl)CC1 71839243 XWGFGSNPQFOQOP-UHFFFAOYSA-N 324.812 1.948 0 40 DDAB CCOc1nnc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)s1 71880559 AIAQBZIHSDBJEA-STQMWFEESA-N 324.450 1.912 0 40 DDAB NC(=O)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 71808115 FKIPIRJKATXHBC-MRXNPFEDSA-N 315.417 1.547 0 40 DDAB O=C1CCCN1C[C@H](O)CNCc1c[nH]nc1-c1ccccc1 71841232 XCEKOUXOICIETC-OAHLLOKOSA-N 314.389 1.150 0 40 DDAB Cc1ncsc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 71821641 CMMGGODRESZRRR-NSHDSACASA-N 309.435 1.777 0 40 DDAB COc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1 7666995 CKXMOEDGORHKBM-UHFFFAOYSA-N 305.334 1.308 0 40 DDAB CCCNc1nnc(S[C@H](C)C(=O)N2CCNC2=O)s1 7873406 QJBGESTWRZQHIX-SSDOTTSWSA-N 315.424 1.392 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(C3CCCC3)CC2)cn1 71841352 ZUAONAGLCHZZCL-CVEARBPZSA-N 302.422 1.610 0 40 DDAB CN1CCCN(Cn2nc(-c3ccccc3F)ccc2=O)CC1 72402696 OGHKHBGBTWIEAI-UHFFFAOYSA-N 316.380 1.644 0 40 DDAB O=C(O)C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 91293633 GJTZGIYCLWDKOH-SECBINFHSA-N 315.728 1.724 0 40 DDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1cccc2ncccc12 8134293 IMUFMQLOFIATNQ-UHFFFAOYSA-N 310.313 1.114 0 40 DDAB Cc1cccc(N2CCC(Nc3ccc4nnnn4n3)CC2)n1 71909853 RYMOELNFMBBVBZ-UHFFFAOYSA-N 310.365 1.304 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)NCc1ccccn1 17167716 OLOKOHXODGMMLT-UHFFFAOYSA-N 300.343 1.169 0 40 DDAB O=C(CSCc1ccccn1)NC[C@@H]1CCN(C2CC2)C1 69587915 GUDYGEFKAHJJRO-ZDUSSCGKSA-N 305.447 1.915 0 40 DDAB COc1ccc(C)cc1C[S@](=O)Cc1nnnn1C1CC1 69527824 OUVSFWWLIVYPOG-OAQYLSRUSA-N 306.391 1.774 0 40 DDAB CC(C)n1ccc(=O)nc1SCC(=O)NC[C@H]1CCCO1 69559553 SATQOKBLMIGPJR-LLVKDONJSA-N 311.407 1.212 0 40 DDAB CC[C@H](CO)N1CCN(S(=O)(=O)[C@H](C)CC(C)C)CC1 95433300 IZCYECCOOOPNFY-ZIAGYGMSSA-N 306.472 1.139 0 40 DDAB O=S(=O)(Cc1ccccc1)N1CCN(c2nccs2)CC1 8718760 HDCMIFCRYWTDGO-UHFFFAOYSA-N 323.443 1.795 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 27982435 UOKSUUDRSMYVAI-UHFFFAOYSA-N 316.361 1.078 0 40 DDAB Cc1cccc(OCCC(=O)N2CCCN(C(N)=O)CC2)c1C 71185279 WGILMHKLVGFATE-UHFFFAOYSA-N 319.405 1.685 0 40 DDAB CCS(=O)(=O)N1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 97032599 VLAHUFJXARHTKT-UHFFFAOYSA-N 314.455 1.175 0 40 DDAB O=C(COc1cccc(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269377 FMAJKOKMIKIIHV-JKSUJKDBSA-N 322.380 1.262 0 40 DDAB CC(C)N1N=C(C(=O)N2CCn3cccc3[C@@H]2C)CCC1=O 72273251 IDBGWGYLGZLENK-LBPRGKRZSA-N 302.378 1.778 0 40 DDAB CC[C@H]1CN(c2nc(C)cc(N(C)C)n2)CCN1C[C@@H](C)O 72276336 YRPCXCIUJZBLCR-KGLIPLIRSA-N 307.442 1.132 0 40 DDAB O=C(CCOC[C@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 72234876 WTHBJVJSMZLBQJ-UONOGXRCSA-N 308.382 1.027 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 72269386 FBWVPLHDXFXMSI-KGLIPLIRSA-N 308.447 1.982 0 40 DDAB CN(C)c1ccc(N(C)C(=O)CCCN2C(=O)CNC2=O)cc1 95465372 XCZLNSWCKFTXLX-UHFFFAOYSA-N 318.377 1.047 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)c2c(C)nn3cccnc23)C1(C)C 73271291 CTJJFVXLZJMQIF-BDJLRTHQSA-N 302.378 1.971 0 40 DDAB Cn1c(C(=O)N2CCOC[C@@H]2C(=O)O)cc(Cl)c1Cl 88374335 DRFDNRCYXLQLQY-MRVPVSSYSA-N 307.133 1.258 0 40 DDAB COCCc1nsc(N[C@H]2CC(=O)N(c3ccccc3)C2)n1 95964117 WLAGJWXMKHSWNO-NSHDSACASA-N 318.402 1.944 0 40 DDAB CC(=O)N1CC(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)C1 75148021 SDWCTKSWTVUPQZ-INIZCTEOSA-N 315.417 1.246 0 40 DDAB NC(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(Cl)cc2Cl)O1 89768358 UYASKOZYZLYFMT-KCJUWKMLSA-N 317.172 1.756 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccncc3)C[C@@H]2C)CC1 76055284 CVZSYGROLVYZAS-YOEHRIQHSA-N 302.422 1.066 0 40 DDAB CS(=O)(=O)Cc1ccc(Cl)cc1NCC(=O)NC1CC1 76061953 WFIUIUJGCZSUAI-UHFFFAOYSA-N 316.810 1.575 0 40 DDAB COC[C@@H](C)NC(=O)CCn1c(C)nc2ccccc2c1=O 29754221 XYJIGTBYGJVPFT-LLVKDONJSA-N 303.362 1.246 0 40 DDAB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 11592802 VSZGPKBBMSAYNT-SOUVJXGZSA-N 312.410 1.285 0 40 DDAB biogenic,in-vitro CN(C)C(=O)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 306125731 DABIJBSVTUUUDD-CQSZACIVSA-N 312.410 1.345 0 40 DDAB NC(=O)CC[C@@H](NC(=O)c1coc(-c2ccccc2)c1)C(=O)O 408723525 YBNSTCMEZPJDDB-GFCCVEGCSA-N 316.313 1.395 0 40 DDAB CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC)cc1 408597567 ZIQQIRGELFGYEC-LBPRGKRZSA-N 312.435 1.832 0 40 DDAB COc1cc(C=O)ccc1OCCCCN1CCN(C)CC1 217798060 JWLCDPWVHOGJEX-UHFFFAOYSA-N 306.406 1.914 0 40 DDAB O=C([C@H]1CCCO1)N1C(=S)N=C(O)/C1=C\c1cccnc1 33782148 XGFFBQFHMLOCSW-PFEDMVJOSA-N 303.343 1.685 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](c2ccccn2)C1 72386176 JYYQJMOCJQZJEE-ZDUSSCGKSA-N 323.374 1.449 0 40 DDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32639799 PLQGYFQLOUOXTR-ZYHUDNBSSA-N 314.407 1.920 0 40 DDAB Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccncc2)cc1 72321678 PKGPFSLKAVRLQC-QBPKDAKJSA-N 312.369 1.398 0 40 DDAB biogenic,in-vitro O=C(O)c1ccc(N2CCCC2)c(S(=O)(=O)NC2CC2)c1 217441942 AFKFEQHXEPSLLE-UHFFFAOYSA-N 310.375 1.426 0 40 DDAB CN1C(=O)[C@](C)(C(=O)NC[C@H]2CCCO2)Sc2ccccc21 40774530 IHYOLSNPUVNISI-BZNIZROVSA-N 320.414 1.809 0 40 DDAB O=C(C[C@@H]1CCCO1)NCCc1nc(-c2ccccc2)n[nH]1 189794091 KNXURNXDMDVDMG-ZDUSSCGKSA-N 300.362 1.700 0 40 DDAB O=C(NCCOC[C@H]1CCCO1)c1n[nH]c2c1CCCCC2 225592446 XXXSLJLGJBQWPU-GFCCVEGCSA-N 307.394 1.604 0 40 DDAB CCOC(=O)N1CCC(OC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 63929616 YZNNUGRAEAEQSS-UONOGXRCSA-N 321.377 1.688 0 40 DDAB Cc1nn(C)c2cnn([C@@H](C)C(=O)NCCCn3ccnc3)c12 41123782 HFMCQBKKSVFVJX-LBPRGKRZSA-N 315.381 1.042 0 40 DDAB Cc1ncc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)c(=N)[nH]1 574508274 NLZXORJEGAIIOD-HNNXBMFYSA-N 317.437 1.611 0 40 DDAB CN1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 82311164 ABQRJCSOIFITCQ-KRWDZBQOSA-N 301.434 1.673 0 40 DDAB CC(C)(Br)C(=O)Nc1ccc(OCC(N)=O)cc1 225593934 GQSPPIDDAKLVOM-UHFFFAOYSA-N 315.167 1.663 0 40 DDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)N1CCCC1)C2 96198328 JRJLPUHTCHJIOS-HNNXBMFYSA-N 318.421 1.962 0 40 DDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)o1 96108694 IXICQIFSHOPHLY-PBHICJAKSA-N 322.405 1.141 0 40 DDAB CN1CCN(C(=O)c2nccn3ccnc23)Cc2ccccc21 96420432 YFOSLDJQGYJWNN-UHFFFAOYSA-N 307.357 1.822 0 40 DDAB Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccsc2)cn1 96055740 PHRXIOCOZGFZDB-UONOGXRCSA-N 302.403 1.861 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccoc1)OCC2 96044299 AXKSYWSJIULTHA-CYBMUJFWSA-N 305.334 1.166 0 40 DDAB C[C@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)S1 96443743 MMOFIJAZINTAFJ-JTQLQIEISA-N 324.837 1.984 0 40 DDAB O=C(c1ccoc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96188556 HNHQLNBTHWIHRP-CYBMUJFWSA-N 311.345 1.645 0 40 DDAB Cn1c2c(ccc1=O)C[C@H](NC(=O)NCc1ccccc1)CC2 96260634 CVQXPQHZMUSNCX-OAHLLOKOSA-N 311.385 1.742 0 40 DDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)c4ccoc4C)C[C@@H]32)n1 96216384 YJZBXTSMDUNTHR-IACUBPJLSA-N 317.345 1.609 0 40 DDAB C[S@](=O)C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1 96445393 ZKOFIIVNOJQABW-LRTDBIEQSA-N 304.371 1.225 0 40 DDAB NC(=O)N1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 96160983 YGFDNMZBNGHVHF-CZUORRHYSA-N 305.378 1.548 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2C(=O)N(c3ccccc3)C[C@H]2C1 96053625 FOTIPPGFGQEGPB-UKRRQHHQSA-N 307.353 1.817 0 40 DDAB CNC(=O)NC(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 96491120 QSBYHKKWWWFIBV-SNVBAGLBSA-N 321.274 1.864 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 247841173 FNYIKVRSJSESHN-GJZGRUSLSA-N 309.373 1.076 0 40 DDAB CO[C@H]1CCOC2(C1)CN(C(=O)COc1ccccc1C)C2 248044530 WMJHIQQCQQXZJR-AWEZNQCLSA-N 305.374 1.780 0 40 DDAB CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1cnc(C)cn1 257335532 YKOVCSZFIJQZKH-WBVHZDCISA-N 316.405 1.791 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cn2ccnc2)C1 257234241 GSSRKUMWTCLWJF-CYBMUJFWSA-N 314.393 1.196 0 40 DDAB CN1CCC(c2nccnc2CNC(=O)[C@@H]2CCCCO2)CC1 257342533 ZPBKPOCYKOESEO-HNNXBMFYSA-N 318.421 1.471 0 40 DDAB CC(C)C[C@H]1OCCC[C@H]1NCCC(=O)N1CCN(C)CC1 252479439 BFBZTVBNWZKFSU-HZPDHXFCSA-N 311.470 1.334 0 40 DDAB Cn1cc([C@@H]2CCCCN2C(=O)c2cccn(C)c2=O)cn1 548676107 MMDSKFWOZFZGOO-AWEZNQCLSA-N 300.362 1.486 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)c1cc2n(n1)CCCO2 90626816 ZGCOMDGGLVQFKP-UHFFFAOYSA-N 324.344 1.176 0 40 DDAB CCCS(=O)(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099003 APCGHEIMDMFERY-AWEZNQCLSA-N 313.423 1.234 0 40 DDAB O=C([C@@H]1CCOC1)N1CCc2ncc(-c3ccccc3)n2CC1 585111057 BUVAUNUAZPRYFR-OAHLLOKOSA-N 311.385 1.971 0 40 DDAB COC[C@]1(C(N)=O)CCCN1C(=O)Nc1c(C)cccc1C 585140379 COZLWHJCGYWGEL-INIZCTEOSA-N 305.378 1.802 0 40 DDAB CCS(=O)(=O)N1CC[C@@](COc2ccccc2C)(OC)C1 585274367 JWVVBKOGGPVLII-OAHLLOKOSA-N 313.419 1.814 0 40 DDAB CCCc1noc([C@@H](C)NCC2CCN(C[C@@H](C)O)CC2)n1 69511751 JLGLUZNQQHBBIA-CHWSQXEVSA-N 310.442 1.766 0 40 DDAB CN(CC(N)=O)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 61572778 NAGVIDXKTKOIJU-UHFFFAOYSA-N 318.373 1.213 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCCN([C@H]2CCOC2)CC1 1565521901 DLAQQZXSBOIRBY-HNNXBMFYSA-N 322.380 1.528 0 40 DDAB CCN1CCC(CNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 57000057 CPOQUKFEAWMXAR-UHFFFAOYSA-N 324.446 1.552 0 40 DDAB C[C@H]1CN(C(=O)CO[C@H]2CCCC[C@H]2C)C[C@H]1N1CCOCC1 76054331 HYROCSDPMPHOBT-TWMKSMIVSA-N 324.465 1.761 0 40 DDAB NC(=O)CSc1nnc(N2CCCC2)n1Cc1ccco1 11428004 NOBRTVYWZLPKNR-UHFFFAOYSA-N 307.379 1.097 0 40 DDAB COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)no2)cc1 13596940 FTTSZBLYIKJYLL-UHFFFAOYSA-N 324.358 1.794 0 40 DDAB C[C@H](Sc1nnc(N)s1)C(=O)NCc1cccs1 14129114 RKOWDZIYGNMXRR-LURJTMIESA-N 300.434 1.979 0 40 DDAB Cc1nnc(NC(=O)CSc2nnc3ncccn23)s1 15935390 IBRRQLACFOYISJ-UHFFFAOYSA-N 307.364 1.015 0 40 DDAB NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2)cc1 19169952 YMKKMGRSFSQJCO-UHFFFAOYSA-N 318.398 1.583 0 40 DDAB CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 19946584 BBOSCHCATIETHN-UHFFFAOYSA-N 318.398 1.936 0 40 DDAB Cc1cccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)c1 4279946 MRZUABADIXSOLV-KBPBESRZSA-N 306.362 1.545 0 40 DDAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCC1 4304824 AKDOXOMLFPIAGB-UHFFFAOYSA-N 321.402 1.452 0 40 DDAB Cc1nn(CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c(C)c1C 19557185 DDTVRORREPTOSZ-HNNXBMFYSA-N 320.437 1.429 0 40 DDAB C[C@@H]1CN(C(=O)COC(=O)c2ccc(Cl)nc2)C[C@@H](C)O1 5505436 VLLVNGPNOIUSDE-NXEZZACHSA-N 312.753 1.528 0 40 DDAB CCc1cc(Br)ccc1N1C(=O)CC(=O)NC1=O 5674281 YRDPDCNMTLHXEH-UHFFFAOYSA-N 311.135 1.984 0 40 DDAB Cc1ccc(CN2CCO[C@@H](C(=O)N3CCOCC3)C2)cc1 1889122727 RGDGISIHOUCEMN-MRXNPFEDSA-N 304.390 1.055 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccccn1 23624257 SEPMCBROPROZBL-UHFFFAOYSA-N 303.406 1.847 0 40 DDAB O=C(C[C@@H]1[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]21)Nc1cccnc1 1565556357 DWEYGNOYWFRVPJ-MHEUCROKSA-N 315.373 1.151 0 40 DDAB CNC(=O)c1csc(NC(=O)Cc2ccc(OC)cc2)n1 8874198 IECZKEZJOSYNIR-UHFFFAOYSA-N 305.359 1.693 0 40 DDAB CCCCS(=O)(=O)NCC1CCN(c2ncccn2)CC1 43955379 XLDIZYGBYRQAKX-UHFFFAOYSA-N 312.439 1.413 0 40 DDAB CN(C)c1cc(-n2cnc(C(=O)NCc3ccccc3)c2)ncn1 49411344 KNSRHPRHOBCAKN-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB O=C(NCCNc1cc(-n2cccc2)ncn1)c1ccncc1 75172263 UHPSJODZRHZIHE-UHFFFAOYSA-N 308.345 1.504 0 40 DDAB O=C(c1ccc(CS(=O)(=O)c2ncc[nH]2)cc1)N1CCCC1 78818384 XFBOXFHCJJDAOI-UHFFFAOYSA-N 319.386 1.620 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)C3)cn2)n1 31215974 HNFXQFVCKVHMSW-LBPRGKRZSA-N 313.361 1.301 0 40 DDAB CCN1CCc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C1 40474066 XEUTXYLFBLCECF-UHFFFAOYSA-N 321.406 1.068 0 40 DDAB O=C(Nc1nncs1)N[C@@H]1CCCN(c2ncccn2)C1 40554048 PQNLDOVMOLRIJB-SECBINFHSA-N 305.367 1.119 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NCCOc1ccc2c(c1)OCO2 40541363 IBGFVTDJPCAMBF-UHFFFAOYSA-N 317.345 1.574 0 40 DDAB CC(=O)N1CCN(C(=O)Cn2ccc3cc(Cl)ccc32)CC1 32106322 CBSFIKYBKLWNQK-UHFFFAOYSA-N 319.792 1.985 0 40 DDAB C[C@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)C[C@H](C)O1 32743621 JJMYUINKYPURCU-STQMWFEESA-N 318.373 1.438 0 40 DDAB CNC(=O)NC(=O)CCSCCOc1ccc(F)cc1 32778674 RKTFGTDDODRSOX-UHFFFAOYSA-N 300.355 1.783 0 40 DDAB CCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 32816632 DLOCJURWFZIHIY-CYBMUJFWSA-N 305.378 1.353 0 40 DDAB Cc1nc2ccccc2nc1Cn1nnn(-c2ccccc2)c1=O 32830320 TZDPHAAXTZMFMB-UHFFFAOYSA-N 318.340 1.729 0 40 DDAB COc1ccc([C@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1F 53491451 OTJFIOKYLOWLSY-JTQLQIEISA-N 323.368 1.802 0 40 DDAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1c(C)nn(C)c1C 53954258 HKFYGSZTCSEQFF-AWEZNQCLSA-N 309.410 1.673 0 40 DDAB COC(=O)[C@@](NC(C)=O)(Nc1ccc(C)cn1)C(F)(F)F 12462474 NLHBGCHKKKDCBD-LLVKDONJSA-N 305.256 1.370 0 40 DDAB Cc1nnc(CN(C)[C@@H]2CCN(CCc3ccncc3)C2)o1 78891312 RJVNSSPSSACFMY-OAHLLOKOSA-N 301.394 1.522 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCc2ccccc2C1 78965195 LTJXBQLXUIKPDM-OAHLLOKOSA-N 324.446 1.332 0 40 DDAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(C)C1=O)C3 79189699 BXRYGYIQEUOTHD-HNNXBMFYSA-N 313.357 1.292 0 40 DDAB biogenic CC(C)CN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 4854664 QXOQTVAJABKEQV-AWEZNQCLSA-N 303.337 1.932 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c(C)c1 6151160 IZYWNTMAMCPXGM-UHFFFAOYSA-N 316.357 1.933 0 40 DDAB CC(C)CCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 6325739 JZPGIYWUNKAJFF-UHFFFAOYSA-N 316.398 1.754 0 40 DDAB NC(=O)[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C1 56089401 SMBIEZQYVBYLTR-CYBMUJFWSA-N 306.387 1.111 0 40 DDAB CC(C)=C[C@H]1[C@H](C(=O)NC2CCN(CC(N)=O)CC2)C1(C)C 25518098 PULSZZYYNWVHKJ-DZGCQCFKSA-N 307.438 1.291 0 40 DDAB CNC(=O)c1cccnc1NCCNC(=O)c1cccc(C)c1 95403095 MZNINQLYSRKWMH-UHFFFAOYSA-N 312.373 1.592 0 40 DDAB COCc1cccc(NC(=O)N[C@H](C)CN2CCCC2=O)c1 58166746 NFTZRIJATDAISP-GFCCVEGCSA-N 305.378 1.965 0 40 DDAB Cc1noc(CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)n1 58192877 TUMNNBOTHRDGMP-CQSZACIVSA-N 304.281 1.484 0 40 DDAB Cc1cc(NC(=O)CNc2ccc(F)cc2OCCO)on1 58181278 RQNZUQPDQNUQAJ-UHFFFAOYSA-N 309.297 1.544 0 40 DDAB O=C(NCc1ccncc1)N1CCC([C@@H](O)C(F)(F)F)CC1 95419117 MGWXYVAKRWDSNZ-GFCCVEGCSA-N 317.311 1.926 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N1CCc2ccc(OCC)cc2C1 58177992 HWOYPUCXQLJRDP-GFCCVEGCSA-N 319.405 1.678 0 40 DDAB CC(C)N(Cc1cc(=O)n(C)c(=O)n1C)c1ccc(F)cc1 58283020 PDURIZDZJLNMBK-UHFFFAOYSA-N 305.353 1.638 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 44913289 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COc1ccc2c(c1)[nH]c1c(=O)n(CCCN(C)C)cnc12 5341747 OFKOMNNCOPUWKV-UHFFFAOYSA-N 300.362 1.838 0 40 DDAB Cc1ccc(-n2nc(C(=O)N[C@@H](C)C(=O)O)c3c2CCC3)cc1 95970437 CJLAMUJDUKCJTL-NSHDSACASA-N 313.357 1.872 0 40 DDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O 74674697 DJECZHJNJVCSDD-VQISRLSMSA-N 308.426 1.571 0 40 DDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 5633526 HXVIZLYCLGWTPF-UHFFFAOYSA-N 310.375 1.056 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccccc2)N1 4854637 LFXHVTFJXRXTIK-DOMZBBRYSA-N 313.357 1.316 0 40 DDAB O=c1cc(CNc2ccc(-n3cnnn3)cc2)nc2ccccn12 66864975 ZUGVYZNEHRANFQ-UHFFFAOYSA-N 319.328 1.282 0 40 DDAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)C1CC1 19819722 PBAYYCVFWURGTM-AWEZNQCLSA-N 318.373 1.315 0 40 DDAB Cc1nnc([C@@H]2CCCN2C(=O)[C@@H](C)N2CCSCC2)o1 96485666 QPUYUYBHBYNKJN-PWSUYJOCSA-N 310.423 1.479 0 40 DDAB Cc1nc(C(=O)N2CCC(O)CC2)cc(C2CCN(C)CC2)n1 72382873 RPRLPTBAQBZYSC-UHFFFAOYSA-N 318.421 1.191 0 40 DDAB O=C(NCCc1ncn[nH]1)c1cc(F)cc(Br)c1 80580632 WNWTYVRCAUBNOU-UHFFFAOYSA-N 313.130 1.679 0 40 DDAB CCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CC)c2C)C1=O 7528364 LUMNKOUVUCFDJU-UHFFFAOYSA-N 319.361 1.508 0 40 DDAB CC(C)N1CC[C@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 68935927 ZNQBJGFISXNOQA-CYBMUJFWSA-N 314.393 1.122 0 40 DDAB Cc1noc(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)n1 69517566 RZRZAAIANXKEHJ-LLVKDONJSA-N 306.366 1.888 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1n[nH]c2c1CCC2 88362795 BNSVGCONNQEKMD-VXGBXAGGSA-N 305.378 1.750 0 40 DDAB CCS(=O)(=O)N(C)C(=O)c1ccc(OC(C)C)c(OC)c1 69774333 CMKMYJLKLHRYHW-UHFFFAOYSA-N 315.391 1.904 0 40 DDAB CC(=O)NC(C)(C)C(=O)NCCc1nc2c(s1)CCCC2 69779272 QBCMTIOBTOIWLL-UHFFFAOYSA-N 309.435 1.595 0 40 DDAB Cc1ncsc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 69772480 OBJTYKRGBHDWPS-VIFPVBQESA-N 313.448 1.881 0 40 DDAB CCOc1nnc(CN[C@@H]2CCc3nc(CC)nn3C2)s1 69873372 AZJIOMRXODLVNF-SECBINFHSA-N 308.411 1.195 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)Cn2cccn2)C1 69870298 VOXJGAPJEVKKFF-UKRRQHHQSA-N 301.394 1.888 0 40 DDAB CCC[C@H](O)CC(=O)OCC(=O)c1ccc(OC)cc1OC 69974257 NQHIVAWIYJUUFD-NSHDSACASA-N 310.346 1.981 0 40 DDAB CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1ncc(CO)n1C 95988614 GQGIMALPWPFDGM-CYBMUJFWSA-N 312.366 1.977 0 40 DDAB O=C(c1ccccc1Cn1cncn1)N1CCc2cnccc21 97084707 QKNVPGJRFIWABK-UHFFFAOYSA-N 305.341 1.924 0 40 DDAB Cc1nc([C@H]2CN(CCOc3cccc(F)c3)CCO2)no1 95958025 DSPRCPBAWZVYCV-CQSZACIVSA-N 307.325 1.969 0 40 DDAB O=C(NCc1ccccn1)N[C@H](CO)Cc1c[nH]c2ccccc12 72274160 BGXDHKDYCPLNDO-HNNXBMFYSA-N 324.384 1.966 0 40 DDAB CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 9094911 YHGKVPWPTGKREV-UHFFFAOYSA-N 310.419 1.919 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)[C@H](C)CO 72294169 IJTAGMJLSNBYLS-NXEZZACHSA-N 309.366 1.792 0 40 DDAB Cc1ccccc1Cc1nnc(CN2CCCS2(=O)=O)o1 84244021 NBOGBWMFFMCUJU-UHFFFAOYSA-N 307.375 1.504 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(Cn2cccn2)o1 97197444 MKLCWDOOXDBCGV-GFCCVEGCSA-N 311.345 1.466 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n[nH]1 72301152 BKHFRPMVUNXJSI-CYBMUJFWSA-N 300.362 1.437 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CC(C3CC3)C3CC3)CCO2)n1 76045698 FWUILRAJXSBFHQ-AWEZNQCLSA-N 304.394 1.839 0 40 DDAB O=C(CN[C@@H](Cn1cccn1)c1ccccc1)Nc1cnccn1 65386967 VMNOMKUIBMKOJH-HNNXBMFYSA-N 322.372 1.643 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 170611241 SAYJXZPKFMGAKR-MGPQQGTHSA-N 324.384 1.510 0 40 DDAB Cc1cccc(C)c1NC(=O)CSc1nc(=O)[nH]nc1C 31773518 SDXYGUHNAYNVIC-UHFFFAOYSA-N 304.375 1.821 0 40 DDAB O=C1C[C@@H](CN[C@@H]2CCCOC2)[C@H](c2cccnc2)N1C1CC1 515648257 MABRMYFINCJTGJ-DAYGRLMNSA-N 315.417 1.902 0 40 DDAB O=S(=O)(CC12CCC(CC1)C2)NC[C@@H](O)[C@H]1CCCO1 528483581 GSVUVSLMLCWGGY-CEUNDQEZSA-N 303.424 1.026 0 40 DDAB O=C(c1cnccn1)N1CC(C(=O)N2CCc3ccccc3C2)C1 70841526 WQRSSAQNAXBQIB-UHFFFAOYSA-N 322.368 1.134 0 40 DDAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218380777 QQDLQDQLUAFBNE-NTZNESFSSA-N 317.794 1.111 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 36383648 ZDJHWBPZRPVRFH-MCIONIFRSA-N 306.406 1.809 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@H]1c1ccc(Cl)cc1 72241426 FGZMPPKWRJUWIE-CABCVRRESA-N 322.792 1.861 0 40 DDAB COCCCCNC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 79355127 QDINKJYCGKQLIY-HNNXBMFYSA-N 320.437 1.896 0 40 DDAB COCC(=O)N1CCCC[C@H]1c1ccc2c(N)nc(C)nc2n1 72374629 AHHDNPLZVMQLSE-ZDUSSCGKSA-N 315.377 1.615 0 40 DDAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCO 222911104 LZPUDUWIDNHOGR-GFCCVEGCSA-N 310.369 1.307 0 40 DDAB Cc1ccc(S(=O)(=O)NCCSc2nc(C)n[nH]2)cc1 222984270 SCWWLIFXCLIWHJ-UHFFFAOYSA-N 312.420 1.492 0 40 DDAB O=C(O)c1ccc(CCNS(=O)(=O)C[C@@H]2CCCO2)cc1 63155490 GVGHMQBDBIVJDW-ZDUSSCGKSA-N 313.375 1.026 0 40 DDAB Cc1nc(C)c(C(=O)N[C@@]2(CO)COc3ccccc3C2)s1 529818531 BCYJHEWYOJFNJN-INIZCTEOSA-N 318.398 1.856 0 40 DDAB Cn1cccc1C(=O)N1CCn2cc(CN3CCCC3)nc2C1 96197225 AKMCLEQIEDODTB-UHFFFAOYSA-N 313.405 1.473 0 40 DDAB CC(=O)N1CC[C@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244530 RWLRZAJRRNIJGI-QGZVFWFLSA-N 316.405 1.627 0 40 DDAB COc1cc(F)cc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 97104105 IAASLAZIPCDLFH-JTQLQIEISA-N 305.313 1.562 0 40 DDAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CCOC2)o1 96184705 BOKGJPGAZXLCCO-CWRNSKLLSA-N 304.390 1.800 0 40 DDAB CC(=O)N1CCN(C(=O)CCNCc2ccc(Cl)o2)CC1 330651303 QDGUYRRNDQWXAG-UHFFFAOYSA-N 313.785 1.103 0 40 DDAB C[C@@H]1COCCN1C(=O)NCCN(C)Cc1ccc(F)cc1 96452409 XOPYYCXXKVXIBD-CYBMUJFWSA-N 309.385 1.688 0 40 DDAB COc1ncccc1CN1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108719 AOBBPMWLCORBCL-SJLPKXTDSA-N 318.417 1.965 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)s1 96055805 WXOYFSKDEIQQBJ-CABCVRRESA-N 307.463 1.793 0 40 DDAB CC(C)(C)SCC(=O)N1CCC[C@@H]1CN1CCOCC1 96431545 VVPHHBPRQLPBPU-CYBMUJFWSA-N 300.468 1.841 0 40 DDAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OC)C2 96039199 NKVKZHCWNIXOMM-RHSMWYFYSA-N 320.389 1.748 0 40 DDAB C[C@@H]1C[C@@H](Nc2cnn(CCN3CCOCC3)c2)CN1C1CC1 96493825 CHTOXKQMRVXJJI-HUUCEWRRSA-N 319.453 1.252 0 40 DDAB CC[C@H](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 96408575 TXKLQINDVMETIE-UKRRQHHQSA-N 324.446 1.720 0 40 DDAB CC[C@@H](C)[C@H](CO)NC(=O)CCn1cnc2ccccc2c1=O 230203504 OPXDSIWDYVTYCM-DOMZBBRYSA-N 317.389 1.310 0 40 DDAB biogenic CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O 96296083 POCOPVKVDQUAMH-FMKPAKJESA-N 312.454 1.589 0 40 DDAB biogenic,in-vitro O=C1COC2(CCN(CC3CCC3)CC2)CN1c1cncnc1 96063146 MWWPIEUAPYCLHA-UHFFFAOYSA-N 316.405 1.475 0 40 DDAB COCC[C@@H]1CN(Cc2cccnc2OC)Cc2ccnn21 247886472 RXGWCNSIJJDHQC-OAHLLOKOSA-N 302.378 1.880 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]2N1 257239380 HPBBYQNKSHYLLF-STQMWFEESA-N 308.765 1.460 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 257325238 WSARPHAKRLPJJF-SNVBAGLBSA-N 307.379 1.006 0 40 DDAB O=C(/C=C\c1cccnc1)NCc1nc(-c2ccnc(O)c2)no1 253609984 CBDYVNMELZDOQU-ARJAWSKDSA-N 323.312 1.562 0 40 DDAB CCOCC(=O)N1CC[C@H](O)[C@@H](Oc2cccc(OC)c2)CC1 257252710 JVUOFRTVCAHFPE-HOTGVXAUSA-N 323.389 1.462 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257301181 RXIITGDWECWJJU-INIZCTEOSA-N 318.417 1.919 0 40 DDAB COc1ccc2[nH]c(C(=O)N3CC[C@@](F)(C(=O)O)C3)cc2c1 263556777 ZGEHTYWATFBCNX-HNNXBMFYSA-N 306.293 1.815 0 40 DDAB CC(C)N1CC2(CN(Cc3ccccc3)C[C@@H]3COCCN32)C1 604381301 GWXXVICDXUYBGX-GOSISDBHSA-N 315.461 1.666 0 40 DDAB biogenic,in-vitro CC(=O)N1CCN(C(=O)CN2CCC3(CCCCC3)CC2)CC1 69484756 FMIDHJDPJXFQFA-UHFFFAOYSA-N 321.465 1.723 0 40 DDAB Cc1cc(C)n(-c2cncc(N3CCC(CC(N)=O)CC3)n2)n1 72283104 DKAPXGOQPFULRQ-UHFFFAOYSA-N 314.393 1.371 0 40 DDAB COc1cc(OC)c2c(=O)oc(C[C@H](O)C[C@H](C)O)cc2c1 49181689 UGHXSOJROIYABR-GXSJLCMTSA-N 308.330 1.485 0 40 DDAB biogenic,in-vitro CC[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(C(=O)N(C)C)c1 75134045 JAJOJAUGGLMABM-CYBMUJFWSA-N 318.377 1.131 0 40 DDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sccc1C 79019015 LZZQDSXNVOHPRA-JTQLQIEISA-N 302.421 1.210 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)NCc1ccnc(C)n1 95974292 BZNDSIRTVZFPSF-UHFFFAOYSA-N 316.409 1.643 0 40 DDAB CN(Cc1ccc(Cl)s1)Cc1cc(=O)n(C)c(=O)n1C 56677352 OFDVQIRXGVOCBM-UHFFFAOYSA-N 313.810 1.431 0 40 DDAB CN1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 91028737 YMKLXBACDHTBCY-UHFFFAOYSA-N 306.790 1.805 0 40 DDAB Cn1cnc(CN2C[C@H]3[C@@H](C2)OCC(=O)N3c2ccccc2)c1 1615158428 RZGNHNKGIZTQPM-JKSUJKDBSA-N 312.373 1.036 0 40 DDAB CN(C)[C@@H](CNS(=O)(=O)c1cccs1)c1cccn1C 11897857 QBDGXQHKSANGPM-LBPRGKRZSA-N 313.448 1.668 0 40 DDAB O=CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13669050 QIWQZWDQWBINDD-UHFFFAOYSA-N 304.371 1.303 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCc1cccc(Cl)c1 169293189 FMBYMQRKBYIBDA-ZOBORPQBSA-N 321.760 1.653 0 40 DDAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(C(N)=O)CC1 151362952 HZLAQGQMQXTDHX-UHFFFAOYSA-N 324.384 1.790 0 40 DDAB CCC[C@@H]1CCc2nc(NC(=O)[C@H]3COCCN3)sc2C1 154280679 IZALWLNLJZTKIU-ZYHUDNBSSA-N 309.435 1.975 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCC[C@H]1C(=O)O 11949614 KQASILUCSRZYAD-FRRDWIJNSA-N 319.357 1.834 0 40 DDAB CCn1cc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 36863842 WGYMTURYZOHSCB-UHFFFAOYSA-N 300.380 1.817 0 40 DDAB COc1ccc2nnc(CNC(=O)c3ccccc3Cl)n2n1 245131215 VJJBPCLJHGVYFU-UHFFFAOYSA-N 317.736 1.716 0 40 DDAB Cn1cnc(CN2CCCC[C@H]2c2cc(O)n3ccnc3n2)c1 2037845570 COUJILBSNJGJLA-AWEZNQCLSA-N 312.377 1.896 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)CCc3ccc[nH]3)CC[C@H]2C1 1565553076 JHIBBANPMWODFM-GOEBONIOSA-N 305.422 1.517 0 40 DDAB C[C@H]1NC(=O)COC12CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 1565551902 WZLVSNLSLZVZEH-CJNGLKHVSA-N 306.406 1.629 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1 2711100 WNOINSIYVSRSET-NSHDSACASA-N 306.387 1.732 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O 4056949 WQTORXLFBFWVHE-AWEZNQCLSA-N 323.393 1.161 0 40 DDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4cc[nH]n4)CC3)O2)n1 2055756416 MNGQMVGMNKUDAO-GFCCVEGCSA-N 317.349 1.628 0 40 DDAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)C1CC1 225583707 HRZIMPBPEBSRCL-UHFFFAOYSA-N 320.418 1.508 0 40 DDAB CN(C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 30968763 GSFASRPOIMBQCV-UHFFFAOYSA-N 321.812 1.787 0 40 DDAB O=C(Cc1ccc(OC(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 40468012 CLGFCLMYYGFJPW-SNVBAGLBSA-N 319.329 1.134 0 40 DDAB CCCn1nc(C(=O)N(Cc2ccccn2)C2CC2)ccc1=O 40465408 MTDYSVOBSKVGIE-UHFFFAOYSA-N 312.373 1.853 0 40 DDAB C[C@H]1CN(CCNC(=O)[C@@H](C)OCc2ccccc2)C[C@@H](C)O1 40516196 KAYNYDSRIWDUHH-OWCLPIDISA-N 320.433 1.817 0 40 DDAB O=C(Nc1ccncc1)c1ccc(Cl)cc1-n1cnnn1 20735519 KLXCAQQFJNUYQR-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB O[C@@H](CN1CCN(c2cnccn2)CC1)c1cccc(F)c1 51650527 YPFQLERMHOTGNC-HNNXBMFYSA-N 302.353 1.471 0 40 DDAB O=C(O)c1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 214759 KDILGXQBRXISBN-CHWSQXEVSA-N 303.314 1.668 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 33208619 NUMNBAPFQBLYKU-AAEUAGOBSA-N 314.407 1.141 0 40 DDAB CCC[C@](C)(NC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 41811134 NPWJHUDKAIRCIR-INIZCTEOSA-N 307.346 1.919 0 40 DDAB CC12CN3CCN(CC(C3)[C@H]1NC(=S)Nc1ccccc1)C2 104180359 ASJMMVJCMUMUDZ-GNHJJJEISA-N 316.474 1.609 0 40 DDAB C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)C(=O)N(C)C 76952008 FAVHQPQARRYYRD-SWLSCSKDSA-N 303.406 1.784 0 40 DDAB O=C(Cn1nnc(-c2ccccc2F)n1)Nc1nccs1 922376 HOIRAFDVDXRIDY-UHFFFAOYSA-N 304.310 1.574 0 40 DDAB COCCn1cc(NC(=O)N[C@H](C)Cc2ccc(O)cc2)cn1 55083703 XBLDUIKJUHCTAA-GFCCVEGCSA-N 318.377 1.988 0 40 DDAB O=C(Cc1cn2ccsc2n1)NC1CCC2(CC1)OCCO2 79229221 FPWGIEBPEZQSKV-UHFFFAOYSA-N 321.402 1.740 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1ccccc1 24928033 WNJDONNRMGUAEB-SNVBAGLBSA-N 304.375 1.809 0 40 DDAB Cc1cnc(C(=O)N2CCN([C@@H](C)c3ccccn3)CC2)cn1 97142465 LDCWOGCCAXGGCF-AWEZNQCLSA-N 311.389 1.699 0 40 DDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cn1 106582199 XKGSULIGJWFFNT-SRVKXCTJSA-N 303.362 1.581 0 40 DDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 3186236 LPCIQFTWJPPFLL-JMSVASOKSA-N 318.354 1.571 0 40 DDAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(=O)O 88376291 XMHMHCHSYVZVPS-GXSJLCMTSA-N 313.737 1.419 0 40 DDAB Cc1cc(NC(=O)COC(=O)C=C(C2CC2)C2CC2)n(C)n1 56293583 NXANORWTGYZIRN-UHFFFAOYSA-N 303.362 1.957 0 40 DDAB C[C@H](Sc1nncn1C)C(=O)N1CCn2cccc2[C@@H]1C 56678272 YJDWGPSRPDKYLQ-QWRGUYRKSA-N 305.407 1.701 0 40 DDAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)NC(=O)NC(C)(C)C 12516057 YCPKICRGWUWLQZ-SNVBAGLBSA-N 321.377 1.883 0 40 DDAB Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(S)cc1Cl 8651877 MKUKUBSCOBAPOO-UHFFFAOYSA-N 319.799 1.269 0 40 DDAB NC(=O)c1ccncc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 108177712 QAIRVWVTNJOSDR-KCQAQPDRSA-N 300.406 1.491 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cnc2ccccn12)c1ccc(F)cc1 97146904 UJCWQMFWVZVKCJ-AWEZNQCLSA-N 312.304 1.430 0 40 DDAB CN(Cc1nccn1C(F)F)Cn1nc2ccccn2c1=O 12520710 MZVVKDLPAPXZCQ-UHFFFAOYSA-N 308.292 1.177 0 40 DDAB C[C@H](C(=O)NCc1ccc(F)c(CO)c1)N1CCSCC1 95434767 XMTXMOWBRBRBCY-LLVKDONJSA-N 312.410 1.372 0 40 DDAB COCCOCCC(=O)NC[C@@H]1CCN(C)c2ccccc21 58198069 ZIKKRQAXFPYGNK-AWEZNQCLSA-N 306.406 1.779 0 40 DDAB COC(=O)CN1CCCN(c2ncnc3ccccc23)CC1 44897811 KXIBANBXMZBFSF-UHFFFAOYSA-N 300.362 1.315 0 40 DDAB Cc1cc(C)nc(-n2[nH]c3[nH]c(-c4ccco4)cc(=O)c3c2=O)n1 9926401 LQCAJXZWQNDJIL-UHFFFAOYSA-N 323.312 1.674 0 40 DDAB CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 44966462 CFQVEKRLHPRNBV-ZFWWWQNUSA-N 317.389 1.820 0 40 DDAB CN(C)c1ncccc1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 44941479 DXWQEQPFKCMJAF-AWEZNQCLSA-N 324.384 1.890 0 40 DDAB CC(C)(C)N1C[C@@H](NC(=O)c2ccc3[nH]cnc3c2)CC1=O 72309472 NXJGZCIYZMKWQT-NSHDSACASA-N 300.362 1.692 0 40 DDAB C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@H]1CCCOC1 95423150 MYLWTCFZEUWZEJ-IRXDYDNUSA-N 303.450 1.966 0 40 DDAB CCN(CC)C(=O)N1CCN(Cc2nnsc2Cl)CC1 48054815 SUGHGOSSUXPYAH-UHFFFAOYSA-N 317.846 1.771 0 40 DDAB Cc1cc2n(n1)C[C@@H](CNC[C@@H](O)c1cccc(F)c1)CN2 58342005 PESZGRSWFBUAAL-SWLSCSKDSA-N 304.369 1.696 0 40 DDAB COc1c(CNCCC(=O)NCc2ccccc2)c(C)nn1C 58394076 AOWVYHAZXOOGPH-UHFFFAOYSA-N 316.405 1.533 0 40 DDAB Cc1ccc(C[C@H](CNC(=O)c2cnsn2)C(=O)O)cc1 95425432 LZWPDUJNBRKKPM-LLVKDONJSA-N 305.359 1.520 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NCc1ccnn1C 95460357 KZBWBUDTUGYRER-UHFFFAOYSA-N 305.334 1.836 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Cn2ccccc2=O)o1 45449591 UINJOXQTGFZJOG-QWHCGFSZSA-N 316.357 1.739 0 40 DDAB Cn1nnnc1SC[C@@H](O)COc1ccc2ccccc2c1 11147758 PXJOIKDAMHHFGF-ZDUSSCGKSA-N 316.386 1.895 0 40 DDAB Cc1ccccc1CNC(=O)CCc1n[nH]c(=S)[nH]c1=O 11516344 FVMADEMHRXYRQT-UHFFFAOYSA-N 304.375 1.385 0 40 DDAB COc1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccccc2)cc1 100626330 NGIVGQYVXNWQGB-PMPSAXMXSA-N 324.336 1.829 0 40 DDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)cc1F 60168408 ODBVPCFEQBGLIS-UHFFFAOYSA-N 315.345 1.909 0 40 DDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cccnc1 29652327 JHPAPMDCEXZGBA-UHFFFAOYSA-N 319.386 1.010 0 40 DDAB CCNC(=O)NC(=O)CNc1ccc(Cl)c(C(=O)OC)c1 29942649 MWVMOKRGXUQVOI-UHFFFAOYSA-N 313.741 1.384 0 40 DDAB COC(=O)c1sc2nc(C)nc(NCC(=O)N(C)C)c2c1C 60551928 SFYVUSXLSTWPHF-UHFFFAOYSA-N 322.390 1.595 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)[C@@H](C)n2cncn2)ccn1 47014547 KQIVJCLXPJMGGE-LLVKDONJSA-N 311.349 1.045 0 40 DDAB O=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCOCC1 12322280 XSPVUPBOJLTMOZ-UHFFFAOYSA-N 312.329 1.614 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 48130430 NUQJCGRADOXZTE-KGLIPLIRSA-N 301.346 1.642 0 40 DDAB C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C(=O)O 95425444 NTYRHLLOLFKEGQ-SKDRFNHKSA-N 306.318 1.007 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NCc1nnc2ccccn12 48310466 XYMBEPPZESYBFV-GFCCVEGCSA-N 303.366 1.297 0 40 DDAB Cc1nnc2c(S(=O)(=O)Nc3cccc(F)c3)cccn12 62592003 GGMUGTPFJKKVMQ-UHFFFAOYSA-N 306.322 1.978 0 40 DDAB CN(C)CCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 27936738 RWWSBXDBESFFOZ-UHFFFAOYSA-N 318.343 1.847 0 40 DDAB CN(C)C(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20046575 KOXHHFGSHMTFIS-UHFFFAOYSA-N 310.419 1.704 0 40 DDAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 3430741 IVKKKJSZLOLCEN-QGZVFWFLSA-N 315.373 1.962 0 40 DDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCN1CCCC1 13031542 QXJHGPLTFSFKCQ-UHFFFAOYSA-N 312.391 1.067 0 40 DDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(N(C)C)n1 96006485 HHRROUXUTVZBGP-JTQLQIEISA-N 308.407 1.398 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)CCc1nc(C(C)C)no1)CC2 65520795 FTKIOSYCCHFBDL-NSHDSACASA-N 318.381 1.157 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC2CCN(C)CC2)C1 65522368 WAGRIABPRDPSSL-OKILXGFUSA-N 317.499 1.483 0 40 DDAB O=c1c2sccc2ncn1Cc1cc(=O)n2ccsc2n1 14125489 KYGYVFCFLHPHHV-UHFFFAOYSA-N 316.367 1.576 0 40 DDAB O=C1CCC(C(=O)N2CCCN(Cc3cccs3)CC2)=NN1 65614295 XUIFAQZJCCJDJF-UHFFFAOYSA-N 320.418 1.048 0 40 DDAB COc1ccnc(NCc2ccc(N3CCOCC3)nc2)n1 14306957 ZQYCMVOXSABANL-UHFFFAOYSA-N 301.350 1.329 0 40 DDAB Cc1noc([C@H]2CCCCN2CC(=O)NCc2ccco2)n1 67350334 YEMNBXMOYGOSII-CYBMUJFWSA-N 304.350 1.814 0 40 DDAB COc1ccc2c(c1)N(Cc1c(C)nn(CCO)c1C)CCO2 97379096 LMMUBLBNORMCHE-UHFFFAOYSA-N 317.389 1.900 0 40 DDAB CC(C)C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O 9547919 HGVNIUNBRVHCNH-CYBMUJFWSA-N 317.345 1.081 0 40 DDAB CCNS(=O)(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 81076112 PCMSERUEBUMZAQ-LLVKDONJSA-N 314.407 1.347 0 40 DDAB C[C@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)N1CCNC1=O 7815751 XQWCHIOBROMEMC-VHSXEESVSA-N 324.308 1.077 0 40 DDAB CC(C)(NC(=O)CCCOc1ccc(F)cc1F)C(N)=O 71836491 UWGRSJOAIKFKQR-UHFFFAOYSA-N 300.305 1.504 0 40 DDAB Cc1c(C(=O)O)sc2nc(CN3CCCCC3)[nH]c(=O)c12 8215829 UTDOCZHAVKAXKG-UHFFFAOYSA-N 307.375 1.977 0 40 DDAB COCCN1CCN(CC(=O)N[C@@H](C)c2ccco2)C[C@H]1C 70008391 XQXQZWQCQOWIAW-KGLIPLIRSA-N 309.410 1.109 0 40 DDAB CCOCCN1CCN(c2ncnc3c2cnn3C)C[C@H]1CC 70037087 SHYNYEKTFHFXBQ-CYBMUJFWSA-N 318.425 1.300 0 40 DDAB COCCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 71920376 IABQMBITMZDBGR-UHFFFAOYSA-N 322.409 1.870 0 40 DDAB O=C(Cn1cnnn1)Nc1cc(F)ccc1N1CCCCC1 69593163 YWTFCNPSJRMSLK-UHFFFAOYSA-N 304.329 1.441 0 40 DDAB C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc21 69779117 QNQYUXCBDKFCJH-JSGCOSHPSA-N 311.389 1.160 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Sc2ccccc2)C1=O 9867469 GCACAPRYQJUDAM-MEBBXXQBSA-N 321.402 1.919 0 40 DDAB CC[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1cc(C)on1 8849588 CZGDEPWQSGCMPN-NSHDSACASA-N 303.318 1.878 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)Sc1nnnn1C(C)(C)C 97085454 DGLSKAFRDXKMAT-GFCCVEGCSA-N 319.434 1.878 0 40 DDAB O=C(Nc1nnn[nH]1)c1cccc(Br)c1Cl 97056054 LPRUPVAJTIMQGO-UHFFFAOYSA-N 302.519 1.868 0 40 DDAB O=C(NCC1(CO)CC1)c1cn(-c2cccc(Cl)c2F)nn1 95989138 OSZHWMYCFFYAEB-UHFFFAOYSA-N 324.743 1.562 0 40 DDAB COc1ccc(CN(C)CC(=O)N2CCOCC2)cc1Cl 89350860 CPXSSQPNKPCBJC-UHFFFAOYSA-N 312.797 1.639 0 40 DDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc[nH]1 9951034 LAVJBYWYCHELQT-UHFFFAOYSA-N 303.709 1.293 0 40 DDAB CC(=O)N1CC(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)C1 75148020 SDWCTKSWTVUPQZ-MRXNPFEDSA-N 315.417 1.246 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1C[C@@H]1C 75121638 JIKBGTHGZCMZQK-JQWIXIFHSA-N 312.373 1.455 0 40 DDAB Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccco2)C1 89756772 VIBPOMOETPUWPP-TZMCWYRMSA-N 318.377 1.668 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2n[nH]c3ccccc23)CCS1(=O)=O 89919970 IXNXVHJROQGWAW-ZJUUUORDSA-N 307.375 1.211 0 40 DDAB CC(C)NC(=O)C[C@@H](C)NC(=O)NCc1ccc(Cl)nc1 76085432 DUHUFLSEBVOTPL-SNVBAGLBSA-N 312.801 1.837 0 40 DDAB Cc1cnc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)o1 76058832 MWAWQKMPIZIULW-IAQYHMDHSA-N 306.366 1.135 0 40 DDAB CN(CCCN1CCOCC1)Cc1nc(-c2ccccc2)no1 20539783 KGPCFLBWLRRUGX-UHFFFAOYSA-N 316.405 1.891 0 40 DDAB Cn1ccnc1CN1CCO[C@@H]2[C@H](Cn3cccn3)CC[C@H]21 306140626 UZCVUJAHTCHMCG-SQWLQELKSA-N 301.394 1.296 0 40 DDAB CCCN(C[C@H](C)O)S(=O)(=O)c1ccc(C(=O)O)cc1 65742997 LSENJUHYDIWQAU-JTQLQIEISA-N 301.364 1.166 0 40 DDAB in-vitro N[C@@H]1CN(C(=O)NCc2noc3ccc(F)cc23)CC12CCC2 1553514187 OCYDLGVJEMRNMY-CQSZACIVSA-N 318.352 1.990 0 40 DDAB Cn1ccnc(NC(=O)NCc2ccccc2-n2cccn2)c1=O 183842143 ZTTAMJJLDOKWOH-UHFFFAOYSA-N 324.344 1.288 0 40 DDAB COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 73203699 NKBXRJUNSMHHHK-UGFHNGPFSA-N 313.357 1.859 0 40 DDAB CCOC(=O)[C@@H](C)N1CCC2(CC1)NC(=O)c1ccccc1O2 72347626 JOOHKJIFISEBIC-GFCCVEGCSA-N 318.373 1.553 0 40 DDAB CC(C)CNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217571034 PXYWJKVAAUIJBB-UHFFFAOYSA-N 312.391 1.893 0 40 DDAB O=C1CC[C@@](C(=O)N2CC3(CCOC3)C2)(c2ccccc2)CN1 568214675 AHASDJVXARPGCD-SFHVURJKSA-N 314.385 1.083 0 40 DDAB Cn1nccc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 30595959 UEOXAAZSMLBCAL-UHFFFAOYSA-N 305.403 1.777 0 40 DDAB CCOC[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218482735 YXKGGIUSXMSLIH-FRRDWIJNSA-N 303.811 1.584 0 40 DDAB Cc1c(Br)c(C(=O)NCCCN(C)C)nn1C 32611307 LHHHZCOSSRBXKN-UHFFFAOYSA-N 303.204 1.173 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(OC)cc1 218073145 QWCVETLFDNNJIP-KKUMJFAQSA-N 313.419 1.187 0 40 DDAB CC[C@H](c1ccc(F)cc1F)N(C)CCNS(C)(=O)=O 72634228 KULHLGSGLPXMNI-CYBMUJFWSA-N 306.378 1.897 0 40 DDAB Cn1nc(C(=O)Nc2nccs2)cc1NC(=O)c1ccco1 46088972 FUNUVHYOJUSEIK-UHFFFAOYSA-N 317.330 1.974 0 40 DDAB O=C1N[C@]2(CCCN(C(=O)c3cnccn3)C2)Oc2ccccc21 72347564 RMYZGDJWOYLLKT-QGZVFWFLSA-N 324.340 1.231 0 40 DDAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1CCOC1 225753655 VACMQBTZLZXJPA-LBPRGKRZSA-N 304.394 1.409 0 40 DDAB O=C(NCc1nnc2n1CCC2)c1cccc(Br)c1 40817148 ZEGOPGCLCOKKPO-UHFFFAOYSA-N 321.178 1.917 0 40 DDAB C[C@@H](NC(=O)Cn1cnnn1)c1cccc(N2CCCC2)c1 88217836 DODSDLRRGAPLJD-GFCCVEGCSA-N 300.366 1.151 0 40 DDAB Cc1nc(CCNS(=O)(=O)C2(C)CC2)sc1C(=O)O 571528293 XBBQWVBEIJUDDG-UHFFFAOYSA-N 304.393 1.164 0 40 DDAB C[C@H](C(=O)NC(N)=O)N(C)Cc1cc(Br)cs1 48367944 LLWOUMJGFSICIU-ZCFIWIBFSA-N 320.212 1.526 0 40 DDAB CN(CCOC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 88817807 PGFHWPKQJLDGCJ-UHFFFAOYSA-N 301.346 1.417 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1cccn1Cc1cccs1 64099190 DIBNLEXYUNLHMO-LBPRGKRZSA-N 303.387 1.606 0 40 DDAB Cc1cc(N2C[C@H](C(N)=O)CC2=O)cc(C)c1Br 45889616 UFWSZXASIVYAHI-SECBINFHSA-N 311.179 1.904 0 40 DDAB CC(C)[C@H](C(=O)NC[C@]1(O)CCSC1)N1CCCCC1 82967235 SUXNMHXYVGDVQT-UKRRQHHQSA-N 300.468 1.481 0 40 DDAB CNc1nc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)cs1 80796183 MEVPWRGVXGMUFM-UHFFFAOYSA-N 315.358 1.351 0 40 DDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 96161819 HSEGBOKZOLZGPP-BETUJISGSA-N 316.430 1.686 0 40 DDAB CC(C)N1C[C@H](C(=O)NCc2ccc(C(=O)O)cc2)CC1=O 96596334 GIRLOFHLDGFVQR-CYBMUJFWSA-N 304.346 1.258 0 40 DDAB COc1ccc(CN2C[C@@H]3CN(C(=O)N(C)C)C[C@@H]3C2=O)cc1 96245343 SYJUFSLTBQEPED-HIFRSBDPSA-N 317.389 1.267 0 40 DDAB O=C(CN1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1 96424600 PNEZMHVPQUJVCS-OAHLLOKOSA-N 303.406 1.279 0 40 DDAB CCc1cc(N[C@@H]2CCc3nnc(CC)n3C2)n2ncnc2n1 97199276 PALKEDCLDJRLGB-LLVKDONJSA-N 312.381 1.268 0 40 DDAB NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1Cl 97380093 LYHHHPDTAZMDDE-OIBJUYFYSA-N 320.773 1.411 0 40 DDAB COc1cccc2c1CCN(C(=O)NCC[C@@H](C)[S@@](C)=O)C2 96501296 ZACIYWDILNRNJU-IPQOISQHSA-N 324.446 1.920 0 40 DDAB CCOCC(=O)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96208045 FCQXAFJPAGYSGO-WBVHZDCISA-N 320.389 1.647 0 40 DDAB O=C(Cc1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1cccnc1 96200110 QEMGNKTWHFSNKX-DLBZAZTESA-N 314.360 1.968 0 40 DDAB Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)CCC(=O)O)C3)ccc12 257240621 HUISSAZFBQORKN-SECBINFHSA-N 317.349 1.111 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cccc(N)n2)C1 257315157 VAEABXKEKNLYOR-CQSZACIVSA-N 316.361 1.411 0 40 DDAB CCn1ncc(S(=O)(=O)N2C[C@H]3C[C@H](OC)C[C@H]3C2)c1C 257335225 YJESVYLQLTVNTP-ITGUQSILSA-N 313.423 1.257 0 40 DDAB COc1ccccc1[C@H]1CN(C(=O)c2cncnc2)CCN1C 257248754 JFALXDYJCBITPU-OAHLLOKOSA-N 312.373 1.614 0 40 DDAB Cc1cnc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)cn1 257303595 SHWSWSNSEOWFEA-OAHLLOKOSA-N 315.377 1.051 0 40 DDAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccon1)OC 96385099 DLMUHBHGDNTARY-GFCCVEGCSA-N 319.317 1.126 0 40 DDAB Cc1nnsc1C(=O)NCc1cccnc1-c1cnn(C)c1 575606118 DOEMUWKFFJSOIX-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB O=C(O)CN1CC[C@H](n2c(=O)sc3c(F)cccc32)C1=O 663219040 GSEAOMYLDVEFJW-VIFPVBQESA-N 310.306 1.060 0 40 DDAB Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@H]1CO 585098606 ZPRKPQYCMUQBJE-KRWDZBQOSA-N 313.401 1.918 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2ccccn2)CC1 33237874 UTPWMFKAPZYSRZ-GOSISDBHSA-N 323.396 1.730 0 40 DDAB CC(C)C[C@@H](CO)NC(=O)C[C@@H](O)CC(=O)Cc1ccccc1 39559797 AZUKRZGSIRBRCH-RDJZCZTQSA-N 321.417 1.463 0 40 DDAB biogenic,in-vitro CC(C)c1nsc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 80767344 KBVPEOKKIIWPRL-LBPRGKRZSA-N 324.450 1.737 0 40 DDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)NC[C@@H]1COCCO1 84718125 UNMLZPQKZQIZJE-UKRRQHHQSA-N 319.405 1.152 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1 58406146 QCKMCGUHMIHXAS-LBPRGKRZSA-N 300.399 1.587 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccncc2)[C@H](CO)[C@@H]1CN(CC)CC 1772595046 RTSFBVKMRBXTME-DJIMGWMZSA-N 319.449 1.883 0 40 DDAB CC(C)CCNC(=O)COC(=O)CNC(=O)c1ccccc1 5715809 OMUVMSIMBHSZDE-UHFFFAOYSA-N 306.362 1.122 0 40 DDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1 18160224 RAHBQLYNETVZNH-UHFFFAOYSA-N 322.430 1.887 0 40 DDAB CC(C)(C)C(=O)N1CC[C@H](c2nn(CCN)c3ncccc23)C1 19081032 QHUQYEALPUYYRO-LBPRGKRZSA-N 315.421 1.752 0 40 DDAB Cc1cnc(-c2nnc(CNC(=O)c3cccs3)o2)cn1 19239265 PNQAKVDQTVVRPW-UHFFFAOYSA-N 301.331 1.827 0 40 DDAB O=C(NN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1Cl 105090449 BOHPXZZZEFUBBM-AOOOYVTPSA-N 304.733 1.936 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Oc2cnsn2)C1 618256487 JCYXMKJMONDKOQ-LLVKDONJSA-N 322.390 1.755 0 40 DDAB COC(=O)C[C@H](NC(=O)c1cnn(C)c1)c1ccc(C)cc1 24492396 PRFOTRDSCBYVHN-AWEZNQCLSA-N 301.346 1.763 0 40 DDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H](C)C1 21534079 DMXADPKPXGXYNR-SECBINFHSA-N 301.368 1.007 0 40 DDAB C[C@H](N)[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 163190674 NOBFQGPMBKPHPR-JVXZTZIISA-N 304.724 1.806 0 40 DDAB CC1(C)C[C@H]1C(=O)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223429 KVOIUWNQOROAMY-IHRRRGAJSA-N 301.390 1.544 0 40 DDAB Cc1nnc2c(N3CCC(NC(=O)C(C)(C)C)CC3)nccn12 2086939605 YMQKLGRLVYCGBF-UHFFFAOYSA-N 316.409 1.564 0 40 DDAB Cn1ccnc1N[C@H]1CO[C@@]2(CCN(C(=O)C3(F)CCC3)C2)C1 1565546233 WJUAMDJGTGUSAP-DOMZBBRYSA-N 322.384 1.484 0 40 DDAB Cc1cc(C)cc(C(=O)N2CC[C@@H]3CN(S(C)(=O)=O)C[C@H]32)c1 1565542157 XODFQMPSGLTKEK-UKRRQHHQSA-N 322.430 1.409 0 40 DDAB CC(C)CN1C[C@@]2(COCCN(Cc3ccncc3)C2)CC1=O 1565542643 HBVGSVXNOGXHIC-GOSISDBHSA-N 317.433 1.789 0 40 DDAB COc1ccc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 4504997 YWSYUIMPWKQMBJ-LJLILKBBSA-N 309.387 1.354 0 40 DDAB C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c2ncccc12 30337916 ZSFKCNVXOZZOJP-SNVBAGLBSA-N 310.350 1.783 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)COc1ccc(Cl)cc1 20080349 PCMYWAQZOOTZNL-GFCCVEGCSA-N 313.781 1.983 0 40 DDAB CCN(CC)C(=O)c1cc(S(=O)(=O)NC(C)C)cn1C 30805629 MZTFUSJVTNIZTB-UHFFFAOYSA-N 301.412 1.194 0 40 DDAB CCn1cnnc1CNC(=O)c1ccc2c(c1)CCN2C(C)=O 40535116 SGKJDIOAAVVNAR-UHFFFAOYSA-N 313.361 1.137 0 40 DDAB CC1CCN(CCCCNS(=O)(=O)c2cnn(C)c2)CC1 40539637 UIBOFQGWTHDEEY-UHFFFAOYSA-N 314.455 1.211 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1 40527180 ZUDSCSWPDUUBKL-ZDUSSCGKSA-N 312.391 1.032 0 40 DDAB Cc1c(C(=O)NCCN(C)C)nnn1-c1ccc(Cl)cc1 51318177 CLUSJZBTSWTDGF-UHFFFAOYSA-N 307.785 1.521 0 40 DDAB O=C(CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)Nc1cn[nH]c1 51414635 ICVXQZDQEKNJAC-LBPRGKRZSA-N 320.736 1.122 0 40 DDAB C[C@H](OC(=O)CNC(=O)C1CCCCC1)C(=O)NC1CCCC1 20882086 PJZFUKOTWHNQHH-LBPRGKRZSA-N 324.421 1.673 0 40 DDAB CC(C)CNC(=O)[C@@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 51823426 YDBIERRLDQFJSV-OAHLLOKOSA-N 305.422 1.370 0 40 DDAB COCCN(CC(=O)N(C)C)Cc1csc(C(C)(C)C)n1 51921533 MPLANDCHZKNZEQ-UHFFFAOYSA-N 313.467 1.977 0 40 DDAB Cc1cc(C)n(CC(=O)Nc2cccc(F)c2)c(=O)c1C(N)=O 32876453 KXPKJYIEOUXKIV-UHFFFAOYSA-N 317.320 1.342 0 40 DDAB CS(=O)(=O)Nc1cc(NC(=O)c2ccccn2)ccc1F 32908027 WGHJXLRSBDFJEK-UHFFFAOYSA-N 309.322 1.845 0 40 DDAB Cn1cnn(CN2CCN(Cc3ccccc3F)CC2)c1=S 21968545 QCGMBFMOWPHBKA-UHFFFAOYSA-N 321.425 1.865 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 22157742 HKIVHEJJCHODMO-ZETCQYMHSA-N 301.140 1.714 0 40 DDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccn1 814653 VTPRAEHGOQFMGD-UHFFFAOYSA-N 322.342 1.267 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 23109839 HRDSBUNLKRNUQL-MRXNPFEDSA-N 307.394 1.546 0 40 DDAB C[C@@H](C(N)=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 23229925 XPOSMIABWXRNCJ-LBPRGKRZSA-N 311.813 1.210 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)Cc1n[nH]c(=O)c2ccccc12 104722274 YLNWTPSGMGUVRY-KNTRCKAVSA-N 322.368 1.917 0 40 DDAB COc1ccc(-c2nnn(CN3CCSCC3)n2)cc1OC 54521788 KRVAQNOAZYQAEE-UHFFFAOYSA-N 321.406 1.364 0 40 DDAB CCC[n+]1ccc(CCS(=O)(=O)c2ccc(N)cc2)cc1 1758932 UIHBHRXZOVICJU-UHFFFAOYSA-N 305.423 1.983 0 40 DDAB CCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 79110881 GNVDJKUQARJJAO-ZDUSSCGKSA-N 317.364 1.977 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)cc1 2710729 AOTKQVSNWGAZGZ-NXEZZACHSA-N 322.386 1.513 0 40 DDAB Cc1[nH]c2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cccc2c1C 24801252 UCPFZDUPEFXIAK-LLVKDONJSA-N 306.387 1.702 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 4200217 PWBCMFRVRQSIEB-NWJSVONSSA-N 323.707 1.850 0 40 DDAB OC[C@@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)C[C@@H]1O 4823992 PESSKGMTBFGAGJ-SDDRHHMPSA-N 303.145 1.984 0 40 DDAB CC(C)CNS(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 6326591 FGWBGCPYUUBDPY-UHFFFAOYSA-N 320.798 1.138 0 40 DDAB C[C@H]1Cc2ccccc2N1CCNC(=O)NC[C@@H]1COCCO1 84718126 UNMLZPQKZQIZJE-DZGCQCFKSA-N 319.405 1.152 0 40 DDAB Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@H]2C)c1C 26451931 MRIDXJIXWCSFFN-LBPRGKRZSA-N 305.378 1.672 0 40 DDAB CS(=O)(=O)c1ccc(OCCCC(=O)Nc2nc[nH]n2)cc1 58267467 GMCGYTDRQBFWKL-UHFFFAOYSA-N 324.362 1.006 0 40 DDAB C[C@H]1CN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CCO1 25837111 AYSZQZNZJKFHOR-RYUDHWBXSA-N 303.362 1.081 0 40 DDAB COC(=O)CCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 58342275 BAIQKWUWDFJVQR-QGZVFWFLSA-N 319.357 1.978 0 40 DDAB CC1CCN([C@H](C)CNC(=O)[C@H](C)NC(=O)c2ccoc2)CC1 58309256 BYDVNUKYXSRBNC-KGLIPLIRSA-N 321.421 1.635 0 40 DDAB CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 107205986 OCKMKKYHVYKTMX-KBPBESRZSA-N 302.378 1.769 0 40 DDAB O=C(O)Cc1c[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)c1=O 20156437 XWWSHUZDCYOFBK-UHFFFAOYSA-N 315.112 1.460 0 40 DDAB Cc1nc(Cc2noc(CNC(=O)NC3CCCCC3)n2)no1 109515066 KXNQNPXHZJDLCO-UHFFFAOYSA-N 320.353 1.484 0 40 DDAB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)cnn1C 11499735 FDFIPIQSFMDBTJ-UHFFFAOYSA-N 302.353 1.830 0 40 DDAB CC[C@@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230387 BIRPEUVQLSWLBE-LLVKDONJSA-N 314.407 1.376 0 40 DDAB COCCNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 12391287 SJIRPYXYGCNRHQ-UHFFFAOYSA-N 307.306 1.130 0 40 DDAB COC1=N[C@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 101043208 XWNXJJMUULZBPK-BXLXJSPXSA-N 308.337 1.651 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 110383302 XECGOQLECKSGMU-OQMKEHIESA-N 303.314 1.678 0 40 DDAB NC(=O)CC1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 48289218 HDKJLEQDVUJNLV-UHFFFAOYSA-N 323.780 1.793 0 40 DDAB COc1ncccc1NC(=O)N1CCN(c2cnccn2)CC1 48277885 HHJXPVLYCUDDIH-UHFFFAOYSA-N 314.349 1.234 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)c1cc(=O)[nH]c2ccccc12 12779837 JGVMHZOWPADIEP-UHFFFAOYSA-N 315.373 1.515 0 40 DDAB CC(C)Oc1ccc(C(=O)NCc2nnc3n2CCC3)cc1 12777761 WNGLUBBOEKHACQ-UHFFFAOYSA-N 300.362 1.942 0 40 DDAB Cc1ccc(NC(=O)c2cnn(C)c2)cc1NS(C)(=O)=O 48356426 RWMSLOQBFRYCBE-UHFFFAOYSA-N 308.363 1.352 0 40 DDAB O=C1COC[C@H]([C@H](O)c2ccc(NC(=O)C3CCCC3)cc2)N1 67896893 VDJRHRBQPYRPTN-GDBMZVCRSA-N 318.373 1.364 0 40 DDAB biogenic,in-vitro CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1C 175806392 SXHUTRKQWUKBBW-UHFFFAOYSA-N 304.799 1.868 0 40 DDAB Cc1c(F)cc(N)c2c1CC[C@H](NC(=O)C(F)(F)F)C2=O 22007012 DAOJPVPVIVBIAM-VIFPVBQESA-N 304.243 1.892 0 40 DDAB Cn1c(SCC(N)=O)nnc1-c1ccc2c(c1)CCCC2 9193270 MCIKRIGYSMTRLX-UHFFFAOYSA-N 302.403 1.938 0 40 DDAB Cc1ccc(OC2CCN(C(=O)CCn3cncn3)CC2)nc1 96009257 NHTXTGGFWRESDQ-UHFFFAOYSA-N 315.377 1.442 0 40 DDAB NC(=O)C1(CNC(=O)C2CC(c3ccccc3)C2)CCOCC1 65534612 DNQOUTMSVVUDID-UHFFFAOYSA-N 316.401 1.579 0 40 DDAB COCCN(CCOC)C(=O)c1cc(-n2ccnc2C)ccn1 65565846 IYLVWSVKVNWFNT-UHFFFAOYSA-N 318.377 1.311 0 40 DDAB COCC(=O)Nc1nnc(CCc2ccc(OC)cc2)s1 9355810 OXDVHKGBUIDDLP-UHFFFAOYSA-N 307.375 1.917 0 40 DDAB COc1ccc(OC)c(NC(=O)CSc2nc(C)n[nH]2)c1 5487952 FFQYWJGPZXCUSZ-UHFFFAOYSA-N 308.363 1.861 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)c2c(C)nn3cccnc23)C1(C)C 73271296 CTJJFVXLZJMQIF-MEDUHNTESA-N 302.378 1.971 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCN1 88059559 NHVFWYFCUDZCMG-QMMMGPOBSA-N 309.218 1.976 0 40 DDAB C[C@H]1CN(C(=O)NCCCOC[C@@H]2CCCO2)CC(C)(C)O1 68543305 RJJDRTULUDRBTF-KBPBESRZSA-N 314.426 1.781 0 40 DDAB CN1CCC[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 69484969 ARKGLCBGVOGDEJ-ZDUSSCGKSA-N 303.410 1.025 0 40 DDAB CCCCS(=O)(=O)N[C@H]1CCC[C@H](C(=O)NC2CC2)C1 71909483 WULBQMZIEKBUHD-AAEUAGOBSA-N 302.440 1.543 0 40 DDAB CCC[C@](C)(NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)O 97990799 TWMBYIHDDRDAQO-NSHDSACASA-N 323.802 1.304 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)CCn1cc(C)cn1 88198216 BEAUSGJGOALWLS-GFCCVEGCSA-N 302.382 1.387 0 40 DDAB Cc1ncn(C[C@H](O)COCc2ccccc2F)c(=O)c1C 97082269 FXYMLTIPQHZOPX-AWEZNQCLSA-N 306.337 1.577 0 40 DDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)CCCOCC(F)(F)F 97000997 VCHUJNZFNVPREL-MRVPVSSYSA-N 317.329 1.037 0 40 DDAB CN(C)c1cccc(CNC(=O)N[C@@H]2CCCc3c[nH]nc32)n1 97021427 RCFQFRGITKYNDH-CYBMUJFWSA-N 314.393 1.748 0 40 DDAB O=C([C@H](O)c1ccccc1)N1CCN([C@@H]2CCSC2)CC1 87494073 FIKOHCPRLOXTOD-HUUCEWRRSA-N 306.431 1.370 0 40 DDAB Cc1cscc1C(=O)NCCC(=O)NCc1ccccn1 97109040 WMQVHJUANMOIHA-UHFFFAOYSA-N 303.387 1.888 0 40 DDAB CC(=O)c1cccc(NC(=O)N2C[C@H](O)[C@H](N3CCCC3)C2)c1 72306036 APTPLQQFBVJTEU-CVEARBPZSA-N 317.389 1.562 0 40 DDAB O=C(/C=C/c1cnccn1)Nc1ccccc1CN1CCOCC1 95365071 ZKDMKQHJCNSNLG-AATRIKPKSA-N 324.384 1.961 0 40 DDAB C[C@H](O)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 22858735 DZJBWPMAQOFXPB-CGTJXYLNSA-N 320.433 1.142 0 40 DDAB CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccncc3)[C@H](O)[C@H]2O1 22115845 WHVZNXODCFBFHL-IBEHDNSVSA-N 320.389 1.456 0 40 DDAB COc1cc([C@H]2CC(=O)Nc3c2cnn3C)cc2c1OCO2 66091401 UMIYZFVVEMXKFX-SECBINFHSA-N 301.302 1.632 0 40 DDAB O=C(NC1CC1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408974745 DBTXKANOUJGCAZ-UHFFFAOYSA-N 308.297 1.169 0 40 DDAB CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2ccc(C)n2C)C(=O)O)C1 515311229 CSNLBEBTDFBRHJ-YRGRVCCFSA-N 308.378 1.722 0 40 DDAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1csnn1 518393010 WUYYFYREOKZWBZ-QMMMGPOBSA-N 309.376 1.238 0 40 DDAB COC[C@@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 408576016 MACHUAWFPWCWQY-MXMFLMJRSA-N 309.362 1.877 0 40 DDAB Cc1nc2cc(-c3nccn3C)nn2c(NCCN(C)C)c1C 72338510 WVTPXGIXLPVUBF-UHFFFAOYSA-N 313.409 1.720 0 40 DDAB CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2ccncc2)c1C 72239064 AYTOIFIRIQCMDG-JTQLQIEISA-N 308.407 1.954 0 40 DDAB Cc1cc(N2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)ncn1 72367566 DCZDYJWUJFIPIY-ZDUSSCGKSA-N 312.377 1.714 0 40 DDAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NC[C@H]1CCCO1 39963309 NCJXHDITKQKUNY-GFCCVEGCSA-N 320.776 1.950 0 40 DDAB CN(C)C(=O)C1(CNC(=O)NCc2nccs2)CCCC1 79098469 YLCWUFNBPBAXKG-UHFFFAOYSA-N 310.423 1.591 0 40 DDAB O=C(NCc1cccs1)Nc1cc(N2CCOCC2)ncn1 75166272 VEMZVPHUAYPFAY-UHFFFAOYSA-N 319.390 1.696 0 40 DDAB Cc1nccn1-c1cncc([C@@H]2CCCN2S(C)(=O)=O)n1 72355562 CZOALNUOPMFMGB-LBPRGKRZSA-N 307.379 1.067 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058303 CZKZJUQMJPBEAJ-VMJZLSGTSA-N 321.417 1.728 0 40 DDAB CC(C)NC(=O)CNC(=O)[C@@]1(C)CC(c2cccs2)=NO1 226747674 UBWLUKWVSICDMO-CQSZACIVSA-N 309.391 1.272 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C[C@@H](CO)O1 191658984 OTLWKVILVLPTQF-USWWRNFRSA-N 324.343 1.899 0 40 DDAB Cc1cccc(N(CCCC(=O)N(C)C)S(C)(=O)=O)c1C 225644118 XZSGWDROPIDBNZ-UHFFFAOYSA-N 312.435 1.938 0 40 DDAB CCC[C@]1(CO)CCN(C(=O)c2cc(CN3CCCC3)on2)C1 573176313 DLBBQKZWACUCRA-KRWDZBQOSA-N 321.421 1.895 0 40 DDAB O=C(Nc1cc(F)c(F)cc1F)N[C@H]1CCc2ncnn2C1 131965649 NVRCMZNDKPOYSI-ZETCQYMHSA-N 311.267 1.832 0 40 DDAB O=C(Nn1ccc2c(cnc3ccnn32)c1=O)c1ccc(F)cc1 40387625 KVAQPOJULZJAIU-UHFFFAOYSA-N 323.287 1.567 0 40 DDAB CCN1CN(S(=O)(=O)c2c[nH]c3cccc(F)c23)CC1=O 195471112 DHRXEEDEXNGHNC-UHFFFAOYSA-N 311.338 1.117 0 40 DDAB CCO[C@H]1C[C@H](NS(=O)(=O)CCN2CCCC2)C12CCC2 192720744 IGRRHSKLWFJCHP-KBPBESRZSA-N 316.467 1.349 0 40 DDAB COc1cc(OC)cc(C(=O)N[C@@H](Cn2nccn2)C(C)C)c1 238973160 ZPHDPSQBPLPRPE-HNNXBMFYSA-N 318.377 1.750 0 40 DDAB C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CO)C1 95463414 SNRJGZFKEQGKSA-RDJZCZTQSA-N 319.449 1.921 0 40 DDAB COCCN1CCC2(CCN(Cc3cccn3C)CC2)C1=O 96157754 MAEDJNQMTXELPT-UHFFFAOYSA-N 305.422 1.486 0 40 DDAB NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1F 96452985 RQZKDSPHKGTHKE-YPMHNXCESA-N 308.353 1.755 0 40 DDAB CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2cnn(C)c21 96198249 QPZHXCGHEXHTSU-AWEZNQCLSA-N 314.389 1.520 0 40 DDAB Cc1nncn1CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 96445327 VFBVJOHFZCCPBU-RYUDHWBXSA-N 306.316 1.785 0 40 DDAB O=C(NCCn1nccn1)c1cc(Br)cs1 238873536 NLZZIZVZNUGHSR-UHFFFAOYSA-N 301.169 1.532 0 40 DDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccncc3)C2)O1 96052297 ICJZIWPIGQDQOU-DLBZAZTESA-N 305.422 1.393 0 40 DDAB C[C@H](CNC(=O)CNC(=O)C(C)(C)C)Oc1ccc(F)cc1 96431488 RIJWWFDGLDNUSO-LLVKDONJSA-N 310.369 1.872 0 40 DDAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1ncnn1C 96439812 DHQWQRVLZIVFQS-LBPRGKRZSA-N 301.350 1.365 0 40 DDAB C[C@H]1CO[C@H](CO)CN1C(=O)Cc1csc(-c2ccoc2)n1 96486941 HDJPREMMNTYOSH-GWCFXTLKSA-N 322.386 1.554 0 40 DDAB CCc1cnc(N2CC[C@@H]3CN(CC)S(=O)(=O)[C@@H]3CC2)nc1 96145532 LRFJDOHFMYEBIT-ZIAGYGMSSA-N 324.450 1.289 0 40 DDAB CNC(=O)C[C@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 96219870 YJIGTSJQOKUNEU-GVDBMIGSSA-N 318.417 1.429 0 40 DDAB CS(=O)(=O)N1CCC[C@]12CCN(Cc1nccs1)C2 96203055 QOODGSPYCYWVPJ-GFCCVEGCSA-N 301.437 1.143 0 40 DDAB CN(C)C(=O)CO[C@@H]1CCC[C@@H]2CN(c3nncs3)C[C@H]21 96248993 IIFVOHQCDIRHPH-IJLUTSLNSA-N 310.423 1.248 0 40 DDAB Cn1ncnc1CNC(=O)NCCCc1ccccc1Cl 96440009 FEEBPOGYOZCEME-UHFFFAOYSA-N 307.785 1.901 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3ncco3)cn2)C1 257261633 LIEYPHKTHGPRQN-SNVBAGLBSA-N 308.363 1.271 0 40 DDAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)CC2)ncn1 257213121 CGGDSSHOIFTGAG-GFCCVEGCSA-N 316.405 1.547 0 40 DDAB CCc1noc(CCC(=O)N2CCNC[C@H]2c2ccccc2)n1 257264165 LTEJESMWKYLYBT-AWEZNQCLSA-N 314.389 1.738 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2Cc2cnn(C)c2)n1 257317753 VKZANXFWRJTLBD-MRXNPFEDSA-N 300.410 1.609 0 40 DDAB CCC(=O)N1CCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257225433 FGELTVJVQPIQFH-LBPRGKRZSA-N 315.377 1.505 0 40 DDAB Cc1noc(C)c1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257319450 VSPFCUFWPVMAFI-IIAWOOMASA-N 318.377 1.301 0 40 DDAB Cc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257337172 YRSOLFRBQDHCJX-INIZCTEOSA-N 316.361 1.139 0 40 DDAB Cc1ccccc1N1C(=O)C[C@@H](N2CCCC[C@H]2CCO)C1=O 250978891 DUICHBGQRWGBKF-GOEBONIOSA-N 316.401 1.864 0 40 DDAB C[C@H]1Oc2cc(S(=O)(=O)N3CCCCCC3)ccc2NC1=O 252508861 XWCBTAYSDLXSIP-LLVKDONJSA-N 324.402 1.971 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575403844 KVJMLJOLSFEDML-AGIUHOORSA-N 303.362 1.271 0 40 DDAB O=C(NCC1CS(=O)(=O)C1)Nc1ccc(C(F)(F)F)cc1 585141048 OUPMOQNEDUWWLJ-UHFFFAOYSA-N 322.308 1.872 0 40 DDAB CCCN1CCCN(C(=O)N[C@H]2CCCc3nn(C)cc32)CC1 585139577 CIZDHSLSTRUCRA-HNNXBMFYSA-N 319.453 1.925 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(Cc3nncn3C)C2)nc1 1776001010 UOTJGLOOCRYTQB-ZDUSSCGKSA-N 302.382 1.205 0 40 DDAB C[C@H](CNC(=O)Nc1ccc(N(C)C)nc1)Cn1cccn1 52462625 LRCXDXOGVSHOSF-GFCCVEGCSA-N 302.382 1.802 0 40 DDAB COC(=O)C[C@@H](NC(=O)CCn1cccn1)c1cccs1 45905230 VMIBULFEZSDVOB-LLVKDONJSA-N 307.375 1.755 0 40 DDAB CN(C)c1cc(CNCc2cnc(N3CCCC3)nc2)ccn1 48711437 OMZQCHZPZLNXOZ-UHFFFAOYSA-N 312.421 1.828 0 40 DDAB CCO[C@H](C)c1noc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)n1 76048001 DFJGVRKGALWYNL-KOLCDFICSA-N 322.369 1.167 0 40 DDAB CCOc1ccccc1CCC(=O)O[C@@H](C)C(=O)NC(N)=O 5151743 YIXBIEJMWAERKP-JTQLQIEISA-N 308.334 1.145 0 40 DDAB COCCNc1c(-c2cnc(N(C)C)nc2)nc2cnccn12 12113895 AISBPFPBPUITKA-UHFFFAOYSA-N 313.365 1.311 0 40 DDAB S=C(NCc1ccccc1)NNC(=S)N1CCCCC1 13547427 ZSVODDBNAUEMRG-UHFFFAOYSA-N 308.476 1.926 0 40 DDAB CCn1c(=O)n(CCC(=O)Nc2ccn(C)n2)c2ccccc21 14899690 RVIFBAJGIHPHPC-UHFFFAOYSA-N 313.361 1.585 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)c3ccc(Cl)s3)cnc21 12794728 HRIDLUNYJMPRFA-UHFFFAOYSA-N 308.750 1.728 0 40 DDAB COCc1ccc(C(=O)N2CC[C@H]3CN(C)CCO[C@@H]3C2)cc1 1565548190 ZDOOZCCULSAAGU-DLBZAZTESA-N 318.417 1.626 0 40 DDAB O=C1CCc2cc(S(=O)(=O)N3CCCC3)cc3c2N1CCC3 5154119 YNBKIKMWAPIGGA-UHFFFAOYSA-N 320.414 1.697 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1 10970758 DQOBJKRZPCSBPD-NSHDSACASA-N 317.301 1.960 0 40 DDAB CCNC(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575612661 NPMKTQUFGMKTQB-UHFFFAOYSA-N 302.331 1.098 0 40 DDAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 585387559 ATCNPFRPRICSQW-ZDUSSCGKSA-N 305.403 1.988 0 40 DDAB COc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cc1F 606440677 LREGTQSEOKMTEQ-NSHDSACASA-N 308.309 1.501 0 40 DDAB CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(n1cnnc1)C2=O 1283365 YSLWJNOPAMASQE-UHFFFAOYSA-N 321.296 1.322 0 40 DDAB CC1CCN(S(=O)(=O)NCCOc2ccccc2F)CC1 32755461 KJELWMBCMYWREV-UHFFFAOYSA-N 316.398 1.771 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1nccnc1N 32830142 SRGPYHKGNRJQOB-UHFFFAOYSA-N 313.361 1.456 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)c2cnc3ccccn3c2=O)cc1 41456800 AJPGBSNTMCNIHV-OAHLLOKOSA-N 323.352 1.466 0 40 DDAB C[C@@H]1CCCN(CCNC(=O)c2cn(C)nc2C(F)(F)F)C1 53050030 IBIBAFMNQLTHDA-SNVBAGLBSA-N 318.343 1.901 0 40 DDAB Cc1cc(Br)c2nc(N3CCOCC3)cc(=O)n2c1 22200125 CUSBPCYPCUDPSC-UHFFFAOYSA-N 324.178 1.602 0 40 DDAB Cc1csc(=O)n1CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C 103915672 HSUPPYQEQNBTNB-GXSJLCMTSA-N 311.407 1.623 0 40 DDAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 104733593 VWBCMAAYIUWOPL-GHMZBOCLSA-N 302.378 1.915 0 40 DDAB O=C(NCCO)Nc1ccccc1I 42875130 RRMZDCKABLYJCR-UHFFFAOYSA-N 306.103 1.405 0 40 DDAB COCCN1CCC[C@H](NS(=O)(=O)c2ccccc2F)C1 78533041 ODPWLEGDTCEHCF-LBPRGKRZSA-N 316.398 1.215 0 40 DDAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccccc3)nn12 3390425 PYZLNPVWKAWORC-UHFFFAOYSA-N 311.301 1.228 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(O)cc1O 3529502 GFOBGAOVBSNXHE-ZWNOBZJWSA-N 307.346 1.950 0 40 DDAB CCNC(=S)N1CCC(NC(=O)c2cccc(OC)c2)CC1 4888553 CPUWMWFJUSTCRR-UHFFFAOYSA-N 321.446 1.784 0 40 DDAB CCCNC(=O)NC(=O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 101852317 UTODEGPNKYMIQG-QWRGUYRKSA-N 324.377 1.161 0 40 DDAB CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCC(N)=O 8253774 WTMAZLURUGPJFY-SECBINFHSA-N 316.785 1.073 0 40 DDAB CCc1ccc(NC(=O)[C@H](C)N[C@]2(C)CCS(=O)(=O)C2)cc1 58066548 OBBQXLWOYIEUBP-BLLLJJGKSA-N 324.446 1.743 0 40 DDAB CCCNC(=O)CNC(=O)C(=O)c1ccc(C(C)(C)C)cc1 58214477 NVAVLYIHJJDMQE-UHFFFAOYSA-N 304.390 1.809 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)c2ccc3[nH]nnc3c2)CC1 58201655 LTIZSHATCUEEHH-LBPRGKRZSA-N 301.394 1.808 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1cc[nH]n1 44971595 OOLNTBUQPIGEEV-UHFFFAOYSA-N 311.349 1.332 0 40 DDAB Cc1noc(C)c1CN(C)Cn1nc2n(c1=O)CCCCC2 44913840 LKFTYZMLOHUEFJ-UHFFFAOYSA-N 305.382 1.466 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)N1CCc2sccc2C1 44969831 SQAQHOPMQNAOTG-LBPRGKRZSA-N 309.435 1.537 0 40 DDAB O=C(COC(=O)C1=COCCO1)NCc1ccccc1Cl 3235702 XFNLVKOEFGCORT-UHFFFAOYSA-N 311.721 1.388 0 40 DDAB Cc1ccc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1 108529942 PELPBVOMPZMGAQ-UHFFFAOYSA-N 322.430 1.539 0 40 DDAB CNC(=O)CCN(C)C(=O)Nc1cnn(-c2ccccc2)c1 95401066 CKUKYTSKVDYDBJ-UHFFFAOYSA-N 301.350 1.472 0 40 DDAB CSc1ccc(-c2nnnn2[C@@H]2CC(=O)[C@H]3OC[C@H]2O3)cc1 106883795 RUFAIAXJOQYVIR-QKCSRTOESA-N 318.358 1.317 0 40 DDAB O=C(Cc1cccnc1)N1CCN(C(=O)c2ccncc2)CC1 95433516 BNIPSRKTVIEJKG-UHFFFAOYSA-N 310.357 1.004 0 40 DDAB COc1cccc(CNC(=O)N[C@@H](CCSC)C(=O)O)c1 2400101 KZALLUUGNMZKOD-LBPRGKRZSA-N 312.391 1.701 0 40 DDAB CC(C)NC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2 100162146 JQKBSKDFIBGUFR-ZIAGYGMSSA-N 303.406 1.421 0 40 DDAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)c1 29630927 NNFVKOKUTLQCIF-NSHDSACASA-N 304.350 1.374 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 29748866 UJADSUGFXLYWAF-CYBMUJFWSA-N 315.377 1.197 0 40 DDAB COc1cc(CN(C)Cc2nnc(C)n2C)cc2c1OCO2 48262777 JWWLGEPFZLICCZ-UHFFFAOYSA-N 304.350 1.493 0 40 DDAB O=C(NCC1CC1)[C@@H]1C[C@]2(CCCN(c3nncs3)C2)CO1 107230297 KRDPLCCIFDOWJT-WFASDCNBSA-N 322.434 1.440 0 40 DDAB O=C(c1ccncn1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108525446 QNCCCVMVSNYDIV-UHFFFAOYSA-N 324.388 1.764 0 40 DDAB O=C(NCc1cc(Cl)c2c(c1)OCCO2)NCc1cc[nH]n1 48303570 OKRFIQBHLJASBK-UHFFFAOYSA-N 322.752 1.834 0 40 DDAB C[C@@H](O)CNc1nc2ccccc2n1CCCn1cncn1 48343076 UAXUXSHQCDPLTR-GFCCVEGCSA-N 300.366 1.511 0 40 DDAB CC(C)[C@@H](O)C(C)(C)CNC(=O)NC[C@@H]1CCN(C2CC2)C1 95436858 JKAJYMXVSXEPAW-DZGCQCFKSA-N 311.470 1.813 0 40 DDAB Cn1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 12863861 NLYGPXBVKMOOSR-NSHDSACASA-N 302.334 1.504 0 40 DDAB Cc1ccc(OCCSCc2cc(=O)n(C)c(=O)n2C)cc1 12977594 ICCJJMAMIQMRQH-UHFFFAOYSA-N 320.414 1.705 0 40 DDAB CCN1C(=O)N[C@](C)([C@H]2CCCN(C[C@@H]3CCCO3)C2)C1=O 95402608 UDVQYDOUGIPMHA-HEHGZKQESA-N 309.410 1.208 0 40 DDAB C/C(=C\C(=O)NCCN1C(=O)CCC1=O)c1cccc(F)c1 96035010 FXWFDDHZDCYRDE-PKNBQFBNSA-N 304.321 1.494 0 40 DDAB CC1(C)CC(=O)c2cc(C(=O)NC[C@H]3CCCO3)c(=O)[nH]c2C1 49544217 AGKXTIADPHGUTR-SNVBAGLBSA-N 318.373 1.439 0 40 DDAB CN(c1ccccc1)S(=O)(=O)c1ccc2no[n+]([O-])c2c1 13729234 GUBMEXGEDHWMQJ-UHFFFAOYSA-N 305.315 1.286 0 40 DDAB Nc1nc(N)nc(SCc2nc(-c3cccs3)no2)n1 14159109 CINWNPYMIBXDSB-UHFFFAOYSA-N 307.364 1.440 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)N2CCOCC2)c1C 14139572 CFRWKNRLMXEHPO-UHFFFAOYSA-N 321.421 1.675 0 40 DDAB COc1cccc(-c2n[nH]cc2CNC[C@@H]2CN(C)CCO2)c1 65615060 QYGBFZVLWOUUCZ-MRXNPFEDSA-N 316.405 1.506 0 40 DDAB c1ccc(-c2nc3c(c(N[C@@H]4CCCNC4)n2)CCNC3)cc1 67676337 GKSIGNWSRFNYSE-CQSZACIVSA-N 309.417 1.953 0 40 DDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccccc2F)C1=O 5972481 HCDNDIVKCKQWEF-UHFFFAOYSA-N 306.293 1.455 0 40 DDAB C[C@@](NC(=O)[C@H]1CCCOC1)(C(N)=O)c1cccc(Cl)c1 98008453 RIVHVGVVBZACID-BONVTDFDSA-N 310.781 1.583 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7308566 VTRBWFKJTCGLDP-UHFFFAOYSA-N 302.783 1.193 0 40 DDAB CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669285 KRTVFAMEWWOEAH-OAHLLOKOSA-N 318.398 1.739 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccnc2N(C)C)c1 71869819 SHGCJXGRUZNZBU-CQSZACIVSA-N 313.405 1.957 0 40 DDAB CC(C)[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O 71829996 SWYHBTCFCAEXGM-AWEZNQCLSA-N 300.362 1.439 0 40 DDAB NC(=O)[C@H]1CCCCN1C(=O)CSc1nc2ccccc2o1 7883691 QCOJPRXZCGZFEB-LLVKDONJSA-N 319.386 1.786 0 40 DDAB Cn1nnnc1SCC(=O)c1ccc2c(c1)CCC(=O)N2 7988120 DPFHSEHFXNBKAH-UHFFFAOYSA-N 303.347 1.070 0 40 DDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)C1 19938931 LJLUVJZOEQPWEF-LBPRGKRZSA-N 314.389 1.568 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(CCc3ccncc3)CCO2)n1 69368329 XTXCYESXYCMPBO-QGZVFWFLSA-N 300.406 1.838 0 40 DDAB Cc1cc(C)n2cc(CN3CCC[C@@H]3Cn3cncn3)nc2n1 69488843 CIMVOLMIEQNFMQ-OAHLLOKOSA-N 311.393 1.602 0 40 DDAB Cc1nn(C)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91757987 CTPULFODLVKORM-IAQYHMDHSA-N 321.327 1.955 0 40 DDAB CN(C(=O)CN1CCC[C@H](Cn2cncn2)C1)c1nccs1 69657784 PGWDQLZNSYOMBF-LBPRGKRZSA-N 320.422 1.110 0 40 DDAB COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CNC(N)=O)c1 69698411 KJKDHZFYKXEXTE-LBPRGKRZSA-N 321.377 1.367 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 69670394 BXRLXYSJZZCYAP-UHFFFAOYSA-N 322.180 1.486 0 40 DDAB CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C 69665547 FRCYOAISUGKTMJ-NSHDSACASA-N 313.398 1.028 0 40 DDAB Cc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)nc1 69675172 PQHUUVUEIIQHLW-UHFFFAOYSA-N 316.346 1.167 0 40 DDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](CN(C)C)C1 69739341 JUUQRFHBBFIJLZ-DZGCQCFKSA-N 321.421 1.444 0 40 DDAB C[C@H]1C[C@H]1C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69738218 LTXIIHZYGJCOOP-VHSXEESVSA-N 314.311 1.800 0 40 DDAB C[C@H]1CN(C[C@@H]2CCCCO2)CCN1c1ccc2nncn2n1 69740976 ZTOQIZWEFPNNAU-KBPBESRZSA-N 316.409 1.204 0 40 DDAB CCOc1cccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1 69970610 FBNUCXSETBHYDU-CYBMUJFWSA-N 305.378 1.748 0 40 DDAB COC(=O)c1sccc1NC(=O)CSc1nccn1C 8716989 BTYQJXMAKGTYCV-UHFFFAOYSA-N 311.388 1.999 0 40 DDAB O=C(COC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 9746071 SDMKUEHDXKELAJ-UHFFFAOYSA-N 308.297 1.702 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 8890224 ZYXLZKPENYPIKC-QGZVFWFLSA-N 315.373 1.248 0 40 DDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](C(F)(F)F)C1 84136491 JNSXYEUXSOLMQF-UWVGGRQHSA-N 304.312 1.798 0 40 DDAB C[C@@H](C(N)=O)N1CCN([C@H](C)CCc2cccc(F)c2)CC1 97084405 KMZXYNVIGVNEBZ-KGLIPLIRSA-N 307.413 1.638 0 40 DDAB CC(=O)c1cccc(NC(=O)Cn2ccn3ccnc3c2=O)c1 72291788 QCDZWLOKJHHXDU-UHFFFAOYSA-N 310.313 1.337 0 40 DDAB Cc1noc([C@@H](C)S(=O)(=O)Cc2nc(C(C)(C)C)no2)n1 89718558 WTODDOZVSQGZRH-SSDOTTSWSA-N 314.367 1.735 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C12CCCCC2 76042188 HWWOGQHZVQBDQP-KGLIPLIRSA-N 323.437 1.646 0 40 DDAB CC(C)(C)OC(=O)NCc1ccc([C@H]2CNC[C@@H]2C(N)=O)cc1 74941279 PQMQHBXUGUFCHF-KGLIPLIRSA-N 319.405 1.500 0 40 DDAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 30882674 WBVXBTUHEBQEAN-ULQDDVLXSA-N 308.466 1.997 0 40 DDAB biogenic,in-vitro O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1 74803103 DETWUHDMNXTSPD-LLVKDONJSA-N 323.190 1.942 0 40 DDAB O=C([C@@H]1CCCN(c2nccc3occc23)C1)N1CCOCC1 156747605 UMUFRTMKGLEEBD-CYBMUJFWSA-N 315.373 1.903 0 40 DDAB Cc1nn(CCO)c(C)c1CNCc1cccc(N(C)C)c1 78552621 OSUBLEVESJCXFI-UHFFFAOYSA-N 302.422 1.848 0 40 DDAB Cc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1C 72256487 QEUOUKKISFLQRC-UHFFFAOYSA-N 324.446 1.106 0 40 DDAB COCc1ncsc1C(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 561395743 VDJRXOLAGXFRDU-QMMMGPOBSA-N 323.378 1.133 0 40 DDAB CCN1CCN(C(=O)c2cc(C)nc(N(CC)CC)n2)CC1 72240411 BXJCVINWMGPFMF-UHFFFAOYSA-N 305.426 1.409 0 40 DDAB Cc1nc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cs1 73472899 DQLVLVOQKLBGFS-PWSUYJOCSA-N 324.450 1.039 0 40 DDAB OCC(CO)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 72384860 PJQCGKBXMYFHOH-ZDUSSCGKSA-N 320.418 1.772 0 40 DDAB COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1 238820902 CPYYYOSDKBKMES-BMFZPTHFSA-N 320.389 1.831 0 40 DDAB Cc1nc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)sc1C 44867892 MBYDMBOLNQHBPL-AWEZNQCLSA-N 322.390 1.419 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCC1=CCCCC1 40268167 UVOJNSSSGZVIMW-UHFFFAOYSA-N 304.394 1.982 0 40 DDAB O=C(O)CN(C(=O)c1ccc2nccn2c1)C1CCOCC1 569296021 WSZYZQNRWKVGJI-UHFFFAOYSA-N 303.318 1.040 0 40 DDAB O=c1cc(CN2CC3(CCOCC3)CC[C@H]2CO)occ1O 528637842 GXOPZWSIVNSXGQ-LBPRGKRZSA-N 309.362 1.099 0 40 DDAB Cc1nn(C(C)C)c2cn(CC(=O)N3CCSCC3)nc12 46087605 OYGSPVQDOZBVCK-UHFFFAOYSA-N 307.423 1.698 0 40 DDAB CCCCS(=O)(=O)N1CCC(c2nc(CC)no2)CC1 46087635 BZPSTCUWBAVMDT-UHFFFAOYSA-N 301.412 1.941 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1CCC(=O)N1CCOCC1 83248613 TUKPKNOPUAWHIY-HNNXBMFYSA-N 317.433 1.576 0 40 DDAB Cc1cccc2c1OC[C@@H](NC(=O)[C@H]1CCc3nncn3C1)C2 332800630 SYJNHJUUMIYNJT-KBPBESRZSA-N 312.373 1.269 0 40 DDAB COCc1cnc2n1CCN(C(=O)Cc1ccccn1)[C@@H]2C 96109544 XWDGCTBCFJSBMV-GFCCVEGCSA-N 300.362 1.570 0 40 DDAB c1ncc(O[C@@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)cn1 96055009 LVCGBEXZKVZYFX-HUUCEWRRSA-N 300.362 1.407 0 40 DDAB CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1C 96105123 NDHHLJSRLHWXKP-AWEZNQCLSA-N 309.391 1.395 0 40 DDAB CS(=O)(=O)c1ccccc1[S@](=O)C[C@H]1CCCCO1 96452453 VXQBCSAZVHRLOS-ZMZPIMSZSA-N 302.417 1.767 0 40 DDAB CCS(=O)(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 96456145 BVQHGEOPUDOUQI-ZIAGYGMSSA-N 318.483 1.547 0 40 DDAB CCc1ccccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 96482635 YVARWXOYNADLIJ-UHFFFAOYSA-N 324.446 1.650 0 40 DDAB O=C1[C@H]2CN(Cc3cccs3)C[C@H]2CN1CCN1CCCC1 96245053 JVZDVEXXHWNVFX-HOCLYGCPSA-N 319.474 1.734 0 40 DDAB CCN(CCNC(=O)NCC[S@@](C)=O)c1ccccc1C 96408767 NDQDZHSYURDVEM-NRFANRHFSA-N 311.451 1.499 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cc2cccc(F)c2)C1 96419152 RROPQURPLINPIX-KGLIPLIRSA-N 313.394 1.840 0 40 DDAB O=C(c1ccncc1)N1CCc2onc(CN3CCCC3)c2C1 96084822 NAXZEHIZASABAS-UHFFFAOYSA-N 312.373 1.864 0 40 DDAB CC(C)N[C@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1 96067686 AKYRWRDPTNZRKP-INIZCTEOSA-N 319.449 1.036 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053943 YYKAFNSZVQKKBB-OKILXGFUSA-N 314.414 1.742 0 40 DDAB Cn1cc(CN2CCO[C@@H]3CN(C4CCCC4)C[C@@H]3C2)cn1 96108120 COIBOYJLJLBDQY-DOTOQJQBSA-N 304.438 1.495 0 40 DDAB CC(C)CN1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225813 OHXBJHMTAQQFMU-QGZVFWFLSA-N 316.405 1.575 0 40 DDAB CC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 247956428 SUVWILXZHKHWHN-CYBMUJFWSA-N 302.334 1.086 0 40 DDAB Cc1ncc(-c2cncc([C@@H]3CCCN(CCO)C3)n2)n1C 257338151 YWCQQRNVYZURFH-CYBMUJFWSA-N 301.394 1.357 0 40 DDAB CN(C)CCNc1cccc([C@H]2CCCN2S(C)(=O)=O)n1 257303022 SFLNMQMRXOZHOL-CYBMUJFWSA-N 312.439 1.152 0 40 DDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc(F)cc1 250001470 QHCMKZIIPYXJDV-ZFWWWQNUSA-N 320.364 1.695 0 40 DDAB CN(C)Cc1cnc(CC2CCN(C(=O)C3CC3)CC2)cn1 257246142 ISQRPQWOFWGFJD-UHFFFAOYSA-N 302.422 1.729 0 40 DDAB CCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257340188 ZEZAWBXUQQAXGU-INIZCTEOSA-N 303.406 1.987 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)cn1 257226158 FJJQLAZLZBHBPL-AWEZNQCLSA-N 313.361 1.406 0 40 DDAB O=C(NCC[C@@H](O)c1ccoc1)C(=O)NCc1ccc(F)cc1 90613204 WGBSODMSQBKNSE-CQSZACIVSA-N 320.320 1.275 0 40 DDAB CC(C)CN1CCC[C@@]2(C1)CN(c1ccc(=O)n(C)c1)C2=O 585099710 ZIBKQTZTBQMJCQ-QGZVFWFLSA-N 303.406 1.470 0 40 DDAB CN1C(=O)c2cccn2[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]21 585109867 CLEUCUYJVDJSLI-STQMWFEESA-N 314.320 1.174 0 40 DDAB O=C(Cc1ccccn1)N[C@H]1C[C@H]2C[C@H]1CN2Cc1ccncc1 585110261 VQYJDOUKTPANTD-JQHSSLGASA-N 322.412 1.798 0 40 DDAB O=C(COC1CCCC1)Nc1ncn(Cc2cccnc2)n1 58282271 YUSZOHDYMHCCOY-UHFFFAOYSA-N 301.350 1.619 0 40 DDAB CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1nc(O)[nH]c(=O)c1N 73793578 PUOINAYRWKQLOK-UWVGGRQHSA-N 308.382 1.345 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)NCCCOC(C)C)C2)n[nH]1 84110969 GXTKWSZCTMGFMS-OAHLLOKOSA-N 322.453 1.829 0 40 DDAB COc1cccc(CC(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1 85436693 GFXIHRGVXXKMFW-KRWDZBQOSA-N 318.417 1.153 0 40 DDAB O=C(c1c(O)cnc2ccccc12)N1CCN(CC(F)F)CC1 89866541 VKTPDHXZWCWBLX-UHFFFAOYSA-N 321.327 1.963 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)NCC1(O)CCCC1 42382683 WXUYAOIHNVGSRD-UHFFFAOYSA-N 303.355 1.418 0 40 DDAB COc1ccsc1S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O 96012559 CERHMIYQSORXLI-QPFGOUBPSA-N 311.450 1.144 0 40 DDAB CC(C)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2cccc(F)c2)nn1 1549161632 NQNWACZAWDYCSW-ARFHVFGLSA-N 320.368 1.211 0 40 DDAB CN1C[C@@H](C(=O)NCC2CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595683 JOPYKNSIDYANGO-YCPHGPKFSA-N 304.365 1.963 0 40 DDAB O=C(N[C@H](C[C@@H]1CC[C@H]2OCO[C@@H]2C1)C(=O)O)c1ccccc1 5048303 RPQQUIOGQVDXKA-ZGKBOVNRSA-N 319.357 1.801 0 40 DDAB CCN1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 5455898 ZCTIBFPHOJLONR-YJNKXOJESA-N 323.352 1.099 0 40 DDAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)c(=O)[nH]1 5642059 MWNRZNBPOILYQH-UHFFFAOYSA-N 304.375 1.821 0 40 DDAB CCCNC(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 12523212 LAOYVSSXNUNBIG-UHFFFAOYSA-N 322.384 1.184 0 40 DDAB NC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1 12945722 LAEIXUJEHIGSCY-UHFFFAOYSA-N 307.313 1.619 0 40 DDAB CCOC(=O)c1c(C(=O)OC)nc2n1-c1ccccc1OC2 13212340 OCZBNIAQEITCEI-UHFFFAOYSA-N 302.286 1.728 0 40 DDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 14076665 YNPWKAYYJCEHQS-SNVBAGLBSA-N 302.371 1.361 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1OC 14220926 NXUZTMSCSOSUGF-PWSUYJOCSA-N 315.391 1.550 0 40 DDAB CC[C@H]1CO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 1565545980 SXHZHIPLNWVQFM-BZNIZROVSA-N 303.362 1.212 0 40 DDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)C2 1565544662 NNHMLIQIVVLUAG-UHFFFAOYSA-N 324.469 1.369 0 40 DDAB CCCCn1c(=O)c2c(nc3n(CC)c(C)cn23)n(C)c1=O 4250925 PRKNFKSURVSBEP-UHFFFAOYSA-N 303.366 1.278 0 40 DDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccon2)N(C)C)cc1 10331932 JNUNCMXBVCXPRG-CYBMUJFWSA-N 316.361 1.341 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)NCC3CCC3)ncn2C1 2055718040 XKDCKHZZCCMSST-ZDUSSCGKSA-N 318.421 1.500 0 40 DDAB CC(C)C(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745846 HRODUUMQNGPKKW-GFCCVEGCSA-N 319.405 1.977 0 40 DDAB CO[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1ccccc1Cl 206849271 SFNSMLDVYMXCMC-LBPRGKRZSA-N 324.764 1.293 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1 31694907 RICRTJKVAJKACI-QMMMGPOBSA-N 304.268 1.952 0 40 DDAB O=C(Cc1csc(-c2ccco2)n1)N[C@H]1CCCCNC1=O 40522229 YKRAEMGBUNNLAS-NSHDSACASA-N 319.386 1.731 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 20537603 JDMPINHQMCQJIE-YPMHNXCESA-N 306.362 1.997 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CN(C(C)=O)CC2 40647459 HVHSPPAOOBSUCD-UHFFFAOYSA-N 310.419 1.622 0 40 DDAB CCn1ccc(-c2cc(C(=O)OC)n3nc(C(=O)O)cc3n2)n1 20605746 SWMQWFWUTNDZJD-UHFFFAOYSA-N 315.289 1.098 0 40 DDAB C[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)CN1CCCC1 101385721 UCCIGPJBAHWHOJ-CVEARBPZSA-N 306.454 1.374 0 40 DDAB Cc1cc(C)n2nc(S[C@H](C)C(=O)N3CCCC3)nc2n1 217610 TXWYVDCGIWXMEC-LLVKDONJSA-N 305.407 1.844 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1 32675858 RVLNEJXOIHWNAY-UHFFFAOYSA-N 307.375 1.693 0 40 DDAB CCOC(=O)C1CCN([C@H](CC)C(=O)Nc2cc(C)on2)CC1 32758071 HQNDSLULLKPXHU-CYBMUJFWSA-N 323.393 1.975 0 40 DDAB COC(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 32915836 OWWPLSZJNHAWJK-UHFFFAOYSA-N 319.361 1.559 0 40 DDAB COC(=O)CCCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32971830 YUMJDVUFMBJXPM-HNNXBMFYSA-N 321.373 1.927 0 40 DDAB O=C(CSCc1cccnc1)NCCNc1cnccn1 53800167 KWPZUXPHYVMLMJ-UHFFFAOYSA-N 303.391 1.333 0 40 DDAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@@H]1CC(=O)O 266639 NEAAMVGPWZFMQJ-GFCCVEGCSA-N 303.314 1.961 0 40 DDAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)on1 42871314 XZPVWQPWLXILPI-GHMZBOCLSA-N 313.379 1.017 0 40 DDAB CN(C)c1ncccc1C(=O)N1CCN(Cc2ccco2)CC1 42855216 JBTSSVFYYYTZAC-UHFFFAOYSA-N 314.389 1.699 0 40 DDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2c(F)cccc2F)s1 105740140 VASOLVBDOHWALA-FHGRNIPQSA-N 323.364 1.939 0 40 DDAB CC(C)OCCS(=O)(=O)N1CCN([C@@H]2C=CCCC2)CC1 78988381 KWISHVJQKZDOHT-OAHLLOKOSA-N 316.467 1.468 0 40 DDAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 24588115 QERQTVIAGDYDEP-CYBMUJFWSA-N 316.357 1.752 0 40 DDAB CN(C)CCNC1=Nc2ccccc2C(=O)N2CSC[C@H]12 1649448 UKKLPUCNARPLGD-CYBMUJFWSA-N 304.419 1.397 0 40 DDAB Cc1n[nH]c2c1[C@H](c1ccc(O)cc1)c1c([nH]c(=O)[nH]c1=O)N2 79481513 STAYBDHSRLTCCU-JTQLQIEISA-N 311.301 1.038 0 40 DDAB CCOC(=O)c1c(N)n([C@@H](C)CO)c2nc3ccccc3nc12 3313525 NMTCDIHBEFKKEU-VIFPVBQESA-N 314.345 1.897 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(O)cc2O)C1 3417554 FDMQNEWWWABAAA-GHMZBOCLSA-N 307.346 1.759 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1c(C)nn(-c2ccccc2)c1C 25058251 JZWYRIBUXAUCSJ-LLVKDONJSA-N 315.377 1.745 0 40 DDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 4995856 FYMDPHPYLXMCGD-MCYUEQNJSA-N 305.717 1.711 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccc(F)c1 55863389 JXBFUHMUBWFDEN-TZMCWYRMSA-N 311.378 1.924 0 40 DDAB NC(=O)C1CCN(CCC(=O)N2CCc3sccc3C2)CC1 55897557 FLKOTDJTBQLPJC-UHFFFAOYSA-N 321.446 1.220 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(c2ccncc2Cl)C1 95408539 LKZGAAQXICAUIN-SNVBAGLBSA-N 303.815 1.501 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CCN(c2nccs2)CC1 44219451 JCTYNHDDGYLNDV-UHFFFAOYSA-N 305.407 1.456 0 40 DDAB C[C@H](NC(=O)CN1CCNC(=O)C1)c1ccc2c(c1)CCCC2 57597236 YDYINOWNYKTJIC-ZDUSSCGKSA-N 315.417 1.174 0 40 DDAB CCC[C@@H](NC(=O)[C@H](C)N1CCNC(=O)C1)c1ccccc1 57577008 RJRDIXNAHSBFDC-DZGCQCFKSA-N 303.406 1.464 0 40 DDAB CCOC(=O)N1CCN(c2nc(-c3ccco3)cc(=O)[nH]2)CC1 9225285 RHHGJSJQAQBRSZ-UHFFFAOYSA-N 318.333 1.308 0 40 DDAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccncc1 44894763 DDZXDXUYTRRJHD-LBPRGKRZSA-N 310.357 1.612 0 40 DDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cn2ccccc2n1 58282130 HRLFSUDZQCLLDS-CYBMUJFWSA-N 311.345 1.962 0 40 DDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCN(C(C)C)C1)C2 58296743 BRZDWLCZYIKYKI-CABCVRRESA-N 318.417 1.845 0 40 DDAB CCc1ccccc1OCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 58265069 CLOWLGLJGYBLLS-GXTWGEPZSA-N 304.390 1.740 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)NC[C@H]1CCCO1 44945816 QVJJRAYBDPZDLD-GFCCVEGCSA-N 308.334 1.272 0 40 DDAB COCCn1cnnc1S[C@H](C)C(=O)N1CCCCCC1 58328872 AOUUTFIKWXPQNX-GFCCVEGCSA-N 312.439 1.808 0 40 DDAB O=C(O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100664274 QEVOOOHLWGANKM-ZYHYCFKLSA-N 309.321 1.942 0 40 DDAB COc1c(CNC[C@H](O)COc2ccccc2)c(C)nn1C 58323904 JZJURNYACXIOBR-ZDUSSCGKSA-N 305.378 1.267 0 40 DDAB Cc1sc2ncn(CC(=O)Nc3ccn(C)n3)c(=O)c2c1C 28803069 UMSWPIPXSDCCDR-UHFFFAOYSA-N 317.374 1.447 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1cc(C2CC2)nc2c1cnn2C 36616126 AFIOEPQAMLECSE-LLVKDONJSA-N 324.388 1.861 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC1 11565988 ZNJLXDREFVTBDM-UHFFFAOYSA-N 310.419 1.465 0 40 DDAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)c(OC)c1 46142669 GBHMVSYXGGUACR-GFCCVEGCSA-N 306.362 1.141 0 40 DDAB Cc1noc(C)c1CSCC(=O)N1CCC[C@H](C(N)=O)C1 48088248 XPXLPHYYZYXJIV-NSHDSACASA-N 311.407 1.249 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)N2CCOCC2)c1C 29957789 SUIOWPKORSZZBW-SNVBAGLBSA-N 307.394 1.285 0 40 DDAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1 59843315 GPHZFYZWWPDIIU-UHFFFAOYSA-N 306.753 1.702 0 40 DDAB COc1ccc(CNC(=O)COC(=O)[C@H]2CCCO2)cc1OC 2726023 FXRSKDDZZPCEEU-CYBMUJFWSA-N 323.345 1.042 0 40 DDAB COCCN1CCO[C@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 108535055 BYGNAWJANAOZLO-HOTGVXAUSA-N 310.438 1.515 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(NC(N)=O)cc1 24728208 IVGDYNWJNPRSSH-GFCCVEGCSA-N 307.350 1.495 0 40 DDAB CC(C)Cc1nc(Cn2occ(Br)c2=O)no1 96003769 BEJVDCKGQUSILX-UHFFFAOYSA-N 302.128 1.834 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 6011619 VYSMYMKBRUQNEE-AAXQSMANSA-N 309.293 1.815 0 40 DDAB COc1cc(C(=O)N[C@H](C)Cn2ccnc2)cc2c1OCCO2 65402584 HTKPPXBGYTULAC-LLVKDONJSA-N 317.345 1.481 0 40 DDAB O=C(CCCN1CCCCC1)NCCCCN1CCOCC1 72301563 ZIHRHXWGRFECTO-UHFFFAOYSA-N 311.470 1.481 0 40 DDAB CC(C)(C)OC(=O)NC1(CNS(C)(=O)=O)CCCCC1 65591915 XXBCLVPZIDSXMP-UHFFFAOYSA-N 306.428 1.763 0 40 DDAB Cc1ccccc1NC(=O)C(=O)NCc1cn2c(n1)CCCC2 65621569 MAAVYYYJRWSAHU-UHFFFAOYSA-N 312.373 1.783 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)CCN2CCSC2=O)C1 65609261 XFSDUWKFOFMCEN-NSHDSACASA-N 323.422 1.080 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NCCCOC(C)C)C2)n[nH]1 84110972 GXTKWSZCTMGFMS-HNNXBMFYSA-N 322.453 1.829 0 40 DDAB NC1=NC(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 4681540 LLLBYQILCMEVHJ-MRVPVSSYSA-N 301.730 1.764 0 40 DDAB O=C(c1ccncc1)N1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 97034175 SGTXBFSZYMUNHR-QZTJIDSGSA-N 323.396 1.498 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(COC)cc2)C1 97051842 DAVFPSWGVFERBZ-HNNXBMFYSA-N 312.435 1.347 0 40 DDAB O=C(O)CCCCCNC(=O)N1CC(=O)Nc2ccccc21 9418732 FZKNVANMULWFQS-UHFFFAOYSA-N 305.334 1.800 0 40 DDAB COC(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)c(OC)c1 7033449 YRIYGJQHAQYIMJ-GFCCVEGCSA-N 323.345 1.156 0 40 DDAB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCOCC1 19809104 BCMHIGUCKGYSMS-UHFFFAOYSA-N 316.336 1.349 0 40 DDAB C[C@H](NC(=O)Cn1ccc(-c2ccc(F)cc2)n1)C(=O)N(C)C 96475705 AXPGUCJZAVNEKD-NSHDSACASA-N 318.352 1.282 0 40 DDAB NC(=O)CCn1ccc(NC(=O)/C=C/c2cccc(F)c2)n1 72287355 GICQWEGGBKKEFA-SNAWJCMRSA-N 302.309 1.550 0 40 DDAB CCOC(=O)CN(Cc1ccc(C)cc1)C(=O)COCCOC 68427742 IFPUUCGNEGOFKC-UHFFFAOYSA-N 323.389 1.550 0 40 DDAB Cc1n[nH]c(SCC(=O)N(CC(C)C)CC(C)C)nc1=O 7738625 WYYIOJLNGVAYMX-UHFFFAOYSA-N 312.439 1.706 0 40 DDAB COc1ccc(F)cc1C(=O)Cn1nnc2ccccc2c1=O 7888230 ZTAHVSBLZCASHP-UHFFFAOYSA-N 313.288 1.822 0 40 DDAB CN(CCNC(=O)N[C@@H]1CCCc2c1cnn2C)C1CCCC1 71856642 LWNBZNUOWXPFNO-OAHLLOKOSA-N 319.453 1.971 0 40 DDAB CN(C)S(=O)(=O)c1cc(N2CCCC2=O)ccc1Cl 7980517 ZSUCQEKEHXZBEL-UHFFFAOYSA-N 302.783 1.717 0 40 DDAB CCn1nnnc1S[C@H](C(=O)NC1CC1)c1ccccc1 16461027 VOMOMCYVKWKOAG-LBPRGKRZSA-N 303.391 1.805 0 40 DDAB O=C(Nc1cccc(Cn2cncn2)c1)N[C@@H]1C=C[C@H](CO)C1 81508130 MPGBQDVYMKNWGR-DZGCQCFKSA-N 313.361 1.385 0 40 DDAB O=C(CC1CCN(c2nccn3cnnc23)CC1)N1CCCC1 72289822 WPTGYLZKEQUTDZ-UHFFFAOYSA-N 314.393 1.353 0 40 DDAB O=C(Cc1noc2ccccc12)N1CCN(c2ncccn2)CC1 8134719 XOVXUGCASCNIFR-UHFFFAOYSA-N 323.356 1.509 0 40 DDAB CC[C@H]1CN(CC[S@@](=O)c2ccccc2)CCN1CCOC 70036973 SUTSNOBYZILPNS-AOMKIAJQSA-N 324.490 1.837 0 40 DDAB CCc1nn2c(=O)cc(CN[C@H](C)Cn3cccn3)nc2s1 69387601 FGWZQYMQMSENMA-SNVBAGLBSA-N 318.406 1.088 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CC[C@H]3CCCO3)CCO2)n1 83829875 RZBFFZFSNASOLZ-VXGBXAGGSA-N 308.382 1.226 0 40 DDAB O=C(NC1CCCC1)N1CCN(C(=O)c2cccc(O)c2)CC1 69483991 DSVQVVYZUYRYHT-UHFFFAOYSA-N 317.389 1.802 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 69462698 RLVSRBGFOUIPCT-VUDGCMKMSA-N 316.357 1.685 0 40 DDAB Cn1nnnc1S[C@H]1CCCN(c2cccc(F)c2)C1=O 71908663 LGDGMGBKGZORJJ-NSHDSACASA-N 307.354 1.637 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ncoc1[C@H]1CCCO1 72285417 SAQYYMDBFLYPGS-GHMZBOCLSA-N 302.334 1.467 0 40 DDAB Cc1nc(CN(C)c2cc(N3CCC[C@@H]3CO)ncn2)cs1 72276202 QLDWDBQXPHUQNM-CYBMUJFWSA-N 319.434 1.839 0 40 DDAB COCCNC(=O)[C@@H](C)SCc1nc(N)c2ccccc2n1 69736932 YXYPNOPUFJFYMQ-SNVBAGLBSA-N 320.418 1.596 0 40 DDAB Cc1nc2nc(SCc3ccccc3)nn2c(O)c1CCO 18029772 RHTABUBEVIVBAF-UHFFFAOYSA-N 316.386 1.965 0 40 DDAB CC(=O)NC1(C(=O)N2CCC[C@@H](n3ccnc3)C2)CCCCC1 69843624 JUURYNLPUJMIPY-OAHLLOKOSA-N 318.421 1.886 0 40 DDAB Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](O)C1CC1)C(C)C 84234496 PNSCVBHHPSXALN-JKSUJKDBSA-N 318.417 1.637 0 40 DDAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1 8736168 ZZJIWMNFNNNRHM-UHFFFAOYSA-N 324.384 1.567 0 40 DDAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccco1)C(=O)Nc1ncccn1 84098671 ACNGKZDODPTSFF-DCAQKATOSA-N 301.302 1.744 0 40 DDAB CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@@H](CO)C(C)(C)C 97112958 DTFPAPPDCMFQLD-AWEZNQCLSA-N 302.378 1.746 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1 8939604 DBYQGQAKYKPMJZ-LLVKDONJSA-N 322.386 1.987 0 40 DDAB COc1cc(C(=O)N[C@@H](C)[C@@H](CO)SC)cc(OC)c1C 95426685 KJMAEVBGOSVVHP-IINYFYTJSA-N 313.419 1.854 0 40 DDAB C[C@H](CNC(=O)[C@H]1CN(C)CCO1)c1nc2ccccc2s1 95427161 BJPMMMDAGXLVNL-DGCLKSJQSA-N 319.430 1.847 0 40 DDAB CN(C(=O)NCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 89335181 DJCWILCGVQIUHO-ZDUSSCGKSA-N 314.382 1.197 0 40 DDAB C[C@@H](Sc1nnc(N)n1C)C(=O)NCCc1cccs1 89478725 QHMLKFRHIOVFFH-MRVPVSSYSA-N 311.436 1.298 0 40 DDAB COC(=O)Cn1ncc2c(N(C)[C@H](C)C3(C)CC3)ncnc21 75108483 NBVDEBQYCMZJDG-SNVBAGLBSA-N 303.366 1.624 0 40 DDAB Cc1ccc(C(=O)NCCCCN2CCCCC2=O)c(=O)[nH]1 75125193 YWXQGBAGNQFXRA-UHFFFAOYSA-N 305.378 1.206 0 40 DDAB Cc1cc(NC(=O)c2nc3ncccn3n2)n(C2CCCC2)n1 36618748 LMGZPMKUCWKJJM-UHFFFAOYSA-N 311.349 1.997 0 40 DDAB Cn1cc(-c2ncc(CN3CC[C@@H](N4CCCC4)C3)cn2)cn1 525977958 OTHDCHGWXMYAPI-MRXNPFEDSA-N 312.421 1.547 0 40 DDAB CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 152316654 LSNNUBSTBXZJQJ-UKRRQHHQSA-N 304.390 1.719 0 40 DDAB Cc1nsc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)n1 74010426 XMPATVAFZCOCFF-UHFFFAOYSA-N 323.809 1.857 0 40 DDAB COc1ccc([C@H](CNC(=O)NC2CC2)N2CCOCC2)cc1 36075780 OLLSGZVEVLSQLZ-INIZCTEOSA-N 319.405 1.530 0 40 DDAB Fc1cc(CN2CC[C@H]3CC[C@@H](C2)N3)ccc1-n1cncn1 564969770 BLOJODMWGWYSKD-KGLIPLIRSA-N 301.369 1.733 0 40 DDAB CC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(C(N)=O)c2)n1 72379408 QUCYFKXSJSEQGP-OAHLLOKOSA-N 310.357 1.926 0 40 DDAB O=C(COc1ccc2ccccc2c1CO)N1CCOCC1 35668532 JCLZEFZPPPLGNI-UHFFFAOYSA-N 301.342 1.570 0 40 DDAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 120235073 FZURSFZPKWBGOO-UONOGXRCSA-N 319.449 1.378 0 40 DDAB O=C(O)CNC1CCC(NC(=O)OCc2ccccc2)CC1 79391528 VBINAWMSALOXDL-UHFFFAOYSA-N 306.362 1.898 0 40 DDAB Cn1nc(C(=O)N2CCCCC2)cc1NC(=O)c1ccco1 40745762 BJLBXHDIIMPZEH-UHFFFAOYSA-N 302.334 1.892 0 40 DDAB C[S@](=O)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 132384758 VHFNFHABKGWHFA-KPWVOAKYSA-N 319.390 1.152 0 40 DDAB CN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=N)N)cc1 226104994 BZXFBIMOUDPYEQ-UHFFFAOYSA-N 319.386 1.826 0 40 DDAB COc1ccc2cc(C(=O)N[C@H]3C[C@@H](O)[C@@H](CO)C3)[nH]c2c1 85469408 XICDKRNFKQVDSP-UEKVPHQBSA-N 304.346 1.038 0 40 DDAB COC(=O)[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@H](C)O1 195539230 CSDFKXKHTCCDAY-PSASIEDQSA-N 304.268 1.867 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)o1 573150202 JHUUKPIFYZFGAX-AWEZNQCLSA-N 315.391 1.547 0 40 DDAB CCN1CCN(c2ccc(-n3cnnc3)cc2C(=O)OC)CC1 226277738 UXCIPLYFEDPDFU-UHFFFAOYSA-N 315.377 1.196 0 40 DDAB COc1ccc(-c2noc(CN3CCNCC3)n2)cc1OC 45795894 XNSZCJRIEOLYLC-UHFFFAOYSA-N 304.350 1.159 0 40 DDAB CN(Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2)Cc1ccco1 96197476 HDOOUWRWXGWGHQ-OAHLLOKOSA-N 316.405 1.713 0 40 DDAB CCN1C(=O)C2(CCOCC2)c2cc(NC(=O)COC)ccc21 96244767 KFBQBBFYUADHRS-UHFFFAOYSA-N 318.373 1.686 0 40 DDAB c1coc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)c1 96202030 IQVYHAYNHUVKHP-SFHVURJKSA-N 320.433 1.983 0 40 DDAB CSCC[C@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)O 96221909 ZVGACXHTMFKLII-LBPRGKRZSA-N 309.387 1.487 0 40 DDAB biogenic Cc1cc(CN2CC[C@@]3(C[C@@H](NC(=O)N(C)C)CCO3)C2)no1 96206220 JZLWFCDKKAFFIP-XJKSGUPXSA-N 322.409 1.378 0 40 DDAB CSC[C@](C)(O)CNC(=O)[C@H](C(C)C)N1CCCCC1 96414663 FVAZNKQWGONCOP-DZGCQCFKSA-N 302.484 1.727 0 40 DDAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3nnn[nH]3)c2)n1 95472452 ZBCGPRGFMIPGQG-UHFFFAOYSA-N 310.321 1.602 0 40 DDAB CC[C@@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 240614928 AAORVMFISAEFPS-LLVKDONJSA-N 316.398 1.502 0 40 DDAB Cc1cccnc1N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257264044 LSQQPPQAFTWFCC-LBPRGKRZSA-N 320.418 1.901 0 40 DDAB Cc1cnc(C[C@H]2COCCN(Cc3cnn(C)c3)C2)cn1 257207750 BJBMHLCLZYMLIB-CQSZACIVSA-N 301.394 1.210 0 40 DDAB Cc1c[nH]c([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257229557 FYNVHOJOCJDFPJ-CYBMUJFWSA-N 307.375 1.480 0 40 DDAB O=C(Cc1cccnc1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252539244 NXFNTJZCULEJAE-SHTZXODSSA-N 312.373 1.921 0 40 DDAB CCOc1ccc(CC(=O)NC2CCN(CCOC)CC2)cc1 85467978 KHOSRAOBLSEMQY-UHFFFAOYSA-N 320.433 1.855 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(Cc2nccs2)C1 257257034 KNVSBMHEACEBDV-VIFPVBQESA-N 312.420 1.259 0 40 DDAB O=C(N[C@@H](CO)C(=O)N1Cc2ccccc2C1)c1ccccc1 252488077 IIXHRWXMGYKHOF-INIZCTEOSA-N 310.353 1.320 0 40 DDAB CC(C)C1(C(C)C)NC(=O)N(C[C@@H](O)CC(F)(F)F)C1=O 390835713 VSBRYKFBEMQLDQ-VIFPVBQESA-N 310.316 1.902 0 40 DDAB Fc1cnc(N2CCN(c3ncnc4ccsc34)CC2)nc1 269485623 MPCWRIIURCRCLS-UHFFFAOYSA-N 316.365 1.947 0 40 DDAB Cc1nc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)c2c(C)csc2n1 662898591 UZULAPLXXZYWNL-IVZWLZJFSA-N 307.375 1.944 0 40 DDAB Cc1cnn(C)c1CN1CC[C@@](O)(COc2cccc(F)c2)C1 585275328 ANYQPYQFKWRTBM-KRWDZBQOSA-N 319.380 1.883 0 40 DDAB CN1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 67284648 RSKWRJLFMWFKAU-UHFFFAOYSA-N 320.784 1.589 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 71881131 HIBPZEAIGDVTOC-CYBMUJFWSA-N 324.425 1.041 0 40 DDAB O=C(NCCc1cccc(F)c1)c1cccnc1-n1cncn1 44906821 VWOKOPQWNOMNGR-UHFFFAOYSA-N 311.320 1.774 0 40 DDAB O[C@H](CN1CCN(c2ncccn2)CC1)c1cccc(F)c1 51091164 OBAWAEOJPGJARC-OAHLLOKOSA-N 302.353 1.471 0 40 DDAB COC[C@@](C)(CC(=O)OC)NC(=O)Nc1cccc(OC)c1 75107205 OCGVYHFLEJGLLY-OAHLLOKOSA-N 310.350 1.785 0 40 DDAB C[C@@H](CNc1nccc(C(F)(F)F)n1)CN1CCOCC1 77995467 RUFRDTMUMLXNCI-JTQLQIEISA-N 304.316 1.876 0 40 DDAB Cc1c(NS(=O)(=O)c2cn(C)c(C)n2)cccc1C(=O)O 61857489 MCDRJHLNXMHCQR-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB Cc1cccc(NC(=O)c2ccc(-n3ccnn3)cc2)c1C(N)=O 89772931 MZFUYAOEMVALAP-UHFFFAOYSA-N 321.340 1.927 0 40 DDAB CC(C)(C)C(=O)N1CCCN(CCOC[C@H]2CCCO2)CC1 96421134 NXFSEOCUPHMKPV-OAHLLOKOSA-N 312.454 1.762 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC 5351356 SMJHXRNGHOVVQS-GARJFASQSA-N 316.423 1.000 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2nc(-c3ccncc3)oc2=O)C1 12115896 SKOPRJXMGVUCQF-RYUDHWBXSA-N 316.361 1.403 0 40 DDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCC3)n2)s1 12181753 XPFVGYIFAHUQTE-UHFFFAOYSA-N 318.402 1.485 0 40 DDAB Cc1ccn(CCNC(=O)COc2ncnc3ccccc23)n1 12199006 XDEALUVUPBCWDX-UHFFFAOYSA-N 311.345 1.330 0 40 DDAB CCc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1 13636831 FTIYCUSLWRGSEF-VXGBXAGGSA-N 322.386 1.262 0 40 DDAB COc1cccc(Nc2nc(N)nc(CN3CCCC3)n2)c1 14163565 QIXFHAOXXAUERQ-UHFFFAOYSA-N 300.366 1.802 0 40 DDAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)[C@@H]1CC12CCC2 19286298 MEYJDUPBPXBMBS-DYEKYZERSA-N 313.401 1.727 0 40 DDAB N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19332491 GPSRGHFZFVHXSO-CQSZACIVSA-N 302.353 1.752 0 40 DDAB C[C@@H](SCCN(C)C)C(=O)N1CC(=O)Nc2ccccc21 157770895 YOFMUKLVGGBMGW-LLVKDONJSA-N 307.419 1.655 0 40 DDAB CCCCNC(=O)CSc1nnnn1-c1ccc(O)cc1 6881285 CKPRNCRTHLOMQA-UHFFFAOYSA-N 307.379 1.376 0 40 DDAB O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCSCC1 1889099079 LMHNYFQBXBBWHT-OAHLLOKOSA-N 305.447 1.869 0 40 DDAB Cn1cccc(C(=O)N2CCc3nc4ncccc4cc3C2)c1=O 1889991128 IHCPBLFIZLAQCP-UHFFFAOYSA-N 320.352 1.527 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)OC)cc1 22250560 VMJGCYXIZIATTK-UHFFFAOYSA-N 300.380 1.302 0 40 DDAB COCc1cncc2c1CCN(C(=O)Cn1cc(Cl)cn1)C2 1565547222 GWJGICCDUNWTLG-UHFFFAOYSA-N 320.780 1.663 0 40 DDAB O=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCCC2 10509883 WUVUZGMEFWLCNY-UHFFFAOYSA-N 309.435 1.507 0 40 DDAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccncc2)CC1 2055713213 GUKMVWWVWFHWMO-UHFFFAOYSA-N 313.405 1.358 0 40 DDAB Cc1cc2c(N3CCN(c4ncncc4C)CC3)nccn2n1 1775973276 LNLLKHVCOWTAOZ-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB COC(=O)[C@@H](C)Sc1ccc2nnc(-c3ccncc3)n2n1 4328161 XMSRXNNSWRHOJS-SECBINFHSA-N 315.358 1.840 0 40 DDAB CCN(CC)S(=O)(=O)N[C@@H](C)c1ccc2c(c1)OCO2 30379404 SZIKUPTYIUZPRY-JTQLQIEISA-N 300.380 1.653 0 40 DDAB Cc1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 31604338 JCDCAFDGFLDFTH-NSHDSACASA-N 316.386 1.834 0 40 DDAB Cc1cc(C(=O)NC[C@H](C2CC2)N(C)C)c2c(C)nn(C)c2n1 40555212 IDQKHMDRZCRATQ-CQSZACIVSA-N 315.421 1.655 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 40512850 ZVKMAGNJOJIGTH-HNNXBMFYSA-N 321.421 1.547 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccco2)cc1 40500984 CWIDGZORIHSPLQ-UHFFFAOYSA-N 323.374 1.187 0 40 DDAB CCOc1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1 40554733 RKVSVUUFEHOHNZ-UHFFFAOYSA-N 308.359 1.511 0 40 DDAB Cn1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 32778110 OUHAWVSJLZOREG-CQSZACIVSA-N 312.373 1.450 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCc2cccs2)C[C@@H](C)O1 32895599 DBHZHFDFGGGHSM-PHIMTYICSA-N 304.437 1.234 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1CCC2(CC1)OCCO2 32825288 XNEYOSNRMMXFKW-UHFFFAOYSA-N 318.373 1.667 0 40 DDAB NC(=O)C1(CNC(=O)[C@@H]2CCCc3ccccc32)CCOCC1 52744247 PTBYVLFZUOUFEQ-OAHLLOKOSA-N 316.401 1.505 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cc2ccc(OC)cc2[nH]1 33213494 XXVBIKGWJWCSJV-OAHLLOKOSA-N 315.373 1.917 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1 53062335 LMYJGJCSUZDGMM-LLVKDONJSA-N 305.765 1.629 0 40 DDAB CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]2c3ccccc3OC[C@H]21 568102 OAAGULBBCPUWBA-KOLCDFICSA-N 300.314 1.375 0 40 DDAB Cc1cc(C(=O)Nc2cnn(CC(N)=O)c2)c2ccccc2n1 53413603 CIKKICRQEBHSQI-UHFFFAOYSA-N 309.329 1.477 0 40 DDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 22616633 XNMRVZGBFRHACW-OAHLLOKOSA-N 315.348 1.722 0 40 DDAB CC(C)(C)C(=O)Nc1ccc(NC(=O)CSCC(N)=O)cc1 42404535 ZEVNPWLCOXLYJQ-UHFFFAOYSA-N 323.418 1.828 0 40 DDAB CC(C)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)O 34161789 IBABAURSJXMCQJ-GHMZBOCLSA-N 316.398 1.761 0 40 DDAB CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1 803299 CCUQGRGCYHHGRJ-UHFFFAOYSA-N 308.359 1.362 0 40 DDAB CCOc1cccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 78788416 KNIHIRWNRSKGEV-DLBZAZTESA-N 318.417 1.757 0 40 DDAB Cc1ccc2c(c1)N(CC(=O)N1CCC[C@H](C)C1)C(=O)CO2 1362054 MPFHCVDZGYTNDB-ZDUSSCGKSA-N 302.374 1.979 0 40 DDAB COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1F 79095777 YOEMPYVPAOFVHT-ZYHUDNBSSA-N 309.341 2.000 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(Cl)cc1 2644633 LTWCHENHGNMOOX-NSHDSACASA-N 315.826 1.746 0 40 DDAB CCc1nc(CC(=O)N2CCN(c3cnccn3)CC2)cs1 55164746 LCMZBNMWWQNJRI-UHFFFAOYSA-N 317.418 1.387 0 40 DDAB Cc1noc(C)c1C(=O)NCCNC(=O)c1ccccc1O 55380919 JEJPCLSTWBNKAE-UHFFFAOYSA-N 303.318 1.157 0 40 DDAB CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 25046859 GUWAFZYLIZAMSI-UWVGGRQHSA-N 302.330 1.807 0 40 DDAB Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)n(C)n1 43434080 HFZCQBDUXAHQDJ-ZDUSSCGKSA-N 309.414 1.207 0 40 DDAB CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)c1cccs1 107141667 JYDCFIZVFQKLMT-BNOWGMLFSA-N 323.462 1.724 0 40 DDAB C[C@@H](CN1CCOCC1)OC(=O)c1cccc(-n2cccn2)c1 95458431 SPPUCMOIOYFAAE-AWEZNQCLSA-N 315.373 1.750 0 40 DDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCOCC2)C1=O 25776826 KEBHIQKJXPZASJ-HNNXBMFYSA-N 323.780 1.397 0 40 DDAB Cc1cccc(-c2nc(C(=O)NCCO)nn2-c2ccccc2)c1 8476520 WPUHKCBMQCXBOB-UHFFFAOYSA-N 322.368 1.965 0 40 DDAB O=C(NCc1cccc(-n2cncn2)c1)N[C@H]1C[C@H]2CC[C@H]1O2 108356198 RSECQRLSIOPQKI-QLFBSQMISA-N 313.361 1.386 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2ccnc(-n3ccnc3)c2)cnn1C 58097781 WPBOYPMYOHLEBC-LLVKDONJSA-N 310.361 1.800 0 40 DDAB Cc1ccc(O)c(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 58177803 IMTFOJLNEPLUOF-UHFFFAOYSA-N 314.345 1.428 0 40 DDAB O=C(NCCc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 44896864 DMKHBGLPEJJCAO-CQSZACIVSA-N 318.398 1.328 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1cnn(-c2ccccc2)n1 58264415 OOMOJRMICDBURT-NYCDYWJRSA-N 312.373 1.916 0 40 DDAB CCn1nc(C)c2c(C(=O)NC[C@@H]3CCCO3)cc(C)nc21 28246781 VZSPYIXIPFQXNI-LBPRGKRZSA-N 302.378 1.977 0 40 DDAB C[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCc2ccccc2C1 44909731 GSDSXXKMQBROOR-KBPBESRZSA-N 313.405 1.402 0 40 DDAB CCCc1nc(CN2CCN(CC(=O)NCC)CC2)cs1 44908318 AIOCUBBMFQHFNQ-UHFFFAOYSA-N 310.467 1.349 0 40 DDAB COc1ccccc1N1CCN(CC(=O)N[C@@H](C)C2CC2)CC1 58380260 IOFXSKYCVGGKAC-AWEZNQCLSA-N 317.433 1.732 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 58341746 WCPLGZXTARMPOC-GXTWGEPZSA-N 324.446 1.623 0 40 DDAB COc1ncccc1CNC(=O)NC[C@H]1Cc2ccccc2O1 28407837 WKYBWUWIZZWILQ-CQSZACIVSA-N 313.357 1.893 0 40 DDAB COC[C@@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 58889886 RSCCSYCRWKCWHP-SNVBAGLBSA-N 316.365 1.831 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)[C@H](C)CO1 45447419 NTZNNCSPTNAZCV-VXGBXAGGSA-N 320.414 1.761 0 40 DDAB NC(=O)C1(CNC(=O)c2csc3c2CCCC3)CCOCC1 47909137 XNAHVVGWYWWBCP-UHFFFAOYSA-N 322.430 1.639 0 40 DDAB Cn1nnnc1SCC(=O)c1ccccc1Br 3229080 URJPURFFEZJNGE-UHFFFAOYSA-N 313.180 1.948 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)no1 12684368 HIPMCUXNGJSHNU-VIFPVBQESA-N 309.347 1.121 0 40 DDAB C[C@H](CNC(=O)Cn1cccn1)N1CCc2sccc2C1 48290075 ZCAAFWNUNTVSMU-GFCCVEGCSA-N 304.419 1.508 0 40 DDAB CCc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NC)n1 48299487 KYEJNOIRFYQZLY-CYBMUJFWSA-N 300.362 1.305 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NC[C@H](c1ccco1)N(C)C 48237282 MASGNCFVJZBYJK-ZIAGYGMSSA-N 309.410 1.950 0 40 DDAB COCCN(C(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 37980319 IRMDXLWSACJBTR-CYBMUJFWSA-N 315.366 1.101 0 40 DDAB C[C@@H]1CN(C(=O)CNC(=O)NCc2ccccc2)C[C@@H](C)O1 12981880 GJRNDXMGYPMHFU-CHWSQXEVSA-N 305.378 1.122 0 40 DDAB Cc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)nc1 69674835 WEVVDAMWCSQRJG-UHFFFAOYSA-N 300.771 1.886 0 40 DDAB CC(C)CCN1CCN(CCCn2cccn2)C[C@@H]1CCO 20451523 LGBGESRKVMBRNG-KRWDZBQOSA-N 308.470 1.688 0 40 DDAB C[S@@](=O)CCNC(=O)c1ccnc(OC2CCCCC2)c1 95458735 YMIZLOXRHDXWGU-NRFANRHFSA-N 310.419 1.901 0 40 DDAB O=C1CCCCCN1Cc1nnc(S)n1-c1ccccn1 6393767 OTMSBBSVRZBCRL-UHFFFAOYSA-N 303.391 1.854 0 40 DDAB Cc1cccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 65521916 XRFNGSHRACTSQO-ZDUSSCGKSA-N 315.348 1.603 0 40 DDAB CC[C@H](C)C(=O)NCC(=O)N(C1CC1)C1CCN(CC)CC1 65613168 AIZQZXZXCQHSHB-ZDUSSCGKSA-N 309.454 1.624 0 40 DDAB CCOC(=O)N1CCC(Nc2ncnc3c2cnn3C)CC1 14218258 YPMCZOIJVSBAFI-UHFFFAOYSA-N 304.354 1.396 0 40 DDAB COc1ccc(CNC(=O)CNC(=O)OC(C)(C)C)c(OC)c1 67160452 WLQCTAQZZZBDEK-UHFFFAOYSA-N 324.377 1.845 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c1 9514529 AIJMILZSXBINRT-ZDUSSCGKSA-N 310.419 1.545 0 40 DDAB CCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 5952550 RRXFFLMXFZAGCG-UHFFFAOYSA-N 304.799 1.551 0 40 DDAB Cc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 7047978 ZGXOPDRGRGTXPE-UHFFFAOYSA-N 318.358 1.827 0 40 DDAB CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(F)c1 7360521 BBQWZKBQNGRTAK-UHFFFAOYSA-N 321.274 1.646 0 40 DDAB COc1cccc(NC(=O)[C@@H](C)N2CCC(C(N)=O)CC2)c1 7435346 BQZDHNOZMWFWRG-LLVKDONJSA-N 305.378 1.220 0 40 DDAB CCC[C@@H](NC(C)=O)C(=O)N1CCC(Nc2cccnn2)CC1 71863412 KRHVYCAGRLTMAV-CQSZACIVSA-N 319.409 1.184 0 40 DDAB CCOc1ccccc1C(=O)N1CCN(C[C@H](O)CC)CC1 71880887 UFZRHKPMLXACKB-CQSZACIVSA-N 306.406 1.614 0 40 DDAB C[C@@H]1CN(C(=O)CNC(=O)OCC(F)(F)F)CCS1 71896192 HTIBYYIQKHTPCG-SSDOTTSWSA-N 300.302 1.239 0 40 DDAB NC(=O)c1ccc(CNC(=O)COc2ccc(F)cc2F)o1 81012010 OJMZQWZVSJJVLG-UHFFFAOYSA-N 310.256 1.352 0 40 DDAB O=C(NCCNC(=O)NC1CCCCC1)Nc1nncs1 89885504 IOGWZSCHECZARU-UHFFFAOYSA-N 312.399 1.292 0 40 DDAB CNC(=O)c1ccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 71904634 FUVQHNIKPITKBF-NWDGAFQWSA-N 312.435 1.300 0 40 DDAB O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccco1 9659514 QWMJEDQMXKRGDK-UHFFFAOYSA-N 305.359 1.944 0 40 DDAB NC(=O)COc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 69457963 SJXVBJLOYMRNSA-UHFFFAOYSA-N 305.721 1.851 0 40 DDAB COC(=O)CNC(=O)c1ccc(OCc2ccccc2)nc1 69433767 UPRWSZOXDCOMIL-UHFFFAOYSA-N 300.314 1.563 0 40 DDAB CC[C@@H](C)[C@H](C)N(C(=O)CN1CCS(=O)(=O)CC1)C1CC1 69878057 IXLWJQCXVCNGNN-OLZOCXBDSA-N 316.467 1.142 0 40 DDAB COc1cccc(NC(=O)NCCCN2C(=O)CCC2=O)c1 69813365 MOMFJTXSJNXGDK-UHFFFAOYSA-N 305.334 1.356 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccco2)C1(C)C 73270201 JXFGYAZDZWPCNP-NSODJVPESA-N 308.378 1.718 0 40 DDAB CCN(C(=O)CN1CCN(C[C@@H](C)O)CC1)C1=CCCCC1 69950541 XMUGMBRKSBJMAS-OAHLLOKOSA-N 309.454 1.291 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1cn(C)nc1-c1ccncc1)CC2 69976177 VSYFGSLVFMADTH-OAHLLOKOSA-N 323.404 1.487 0 40 DDAB Cc1ccnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 97081342 HVFGNCSPSSDNJW-CQSZACIVSA-N 324.450 1.616 0 40 DDAB CC[C@@H](C(=O)Nc1cncc(Br)c1O)N(C)C 95977168 TZYFUYRFUSIGNH-VIFPVBQESA-N 302.172 1.828 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 92771033 HGABLNHNVPQODT-LBPRGKRZSA-N 321.402 1.322 0 40 DDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCCS(N)(=O)=O 72253643 APRSVWKIVZHCIE-JTQLQIEISA-N 320.846 1.197 0 40 DDAB Cc1ccc(Cl)c(OC[C@@H](O)CN2CCNC(=O)CC2)c1 97109335 YDGYNLQQZCHDDF-LBPRGKRZSA-N 312.797 1.210 0 40 DDAB Cc1cc(C)nc(NC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1 97143091 ZZWWPZVEOMLMQY-ZIAGYGMSSA-N 306.410 1.929 0 40 DDAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](C)C3 20632440 GYNHDBSVKDDGAS-QMMMGPOBSA-N 320.374 1.545 0 40 DDAB O=C(CN1CCn2ccnc2C1)Nc1ccnn1C1CCCC1 97201438 XAIFJLBTAZIJNY-UHFFFAOYSA-N 314.393 1.649 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2nccc3ccccc23)CCS1(=O)=O 89919974 YOLWEELEUWEHCH-NEPJUHHUSA-N 318.398 1.882 0 40 DDAB COCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1 89410098 YSRNVYBRNZRGJI-OAHLLOKOSA-N 309.454 1.977 0 40 DDAB C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 76018280 HSMMMOOJXYKRQW-LURJTMIESA-N 324.686 1.794 0 40 DDAB Cc1cccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1 35648368 PPGHQXOEZFSNNT-OTXQMUPVSA-N 323.395 1.642 0 40 DDAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CO 32220817 KYEDJPGTEYVVLG-BHUNQDJPSA-N 305.333 1.828 0 40 DDAB CC(=O)Nc1ccc(NC(=O)C(=O)Nn2c(C)ccc2C)cc1 408559672 AVLOPDXJQUJOLL-UHFFFAOYSA-N 314.345 1.772 0 40 DDAB CNCC(=O)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 72383011 AJAWRUGORISEGT-ZDUSSCGKSA-N 312.377 1.498 0 40 DDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)[C@H]1CCOC1 78415509 YQVIMRUQKSVTEU-BLLLJJGKSA-N 307.346 1.150 0 40 DDAB CN1CCC[C@H](C(=O)NCc2cccc(N3CCCC3=O)c2)C1 72954758 GRPCURYBYVCKSV-HNNXBMFYSA-N 315.417 1.771 0 40 DDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 35085284 APPDIGDORNJSPF-LLVKDONJSA-N 315.366 1.790 0 40 DDAB Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCN(C=O)CC1 72222642 RCHACGCETFSENW-KRWDZBQOSA-N 311.385 1.750 0 40 DDAB CCN(C(=O)[C@H](C)n1cccn1)[C@@H](C)CS(=O)(=O)CC 79041499 IFVXJLQNUBCARW-RYUDHWBXSA-N 301.412 1.116 0 40 DDAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc(F)c1 36245332 XLHXJMXTDYAYLA-BFHYXJOUSA-N 305.353 1.554 0 40 DDAB CC(=O)N1CCC[C@H]1c1ccc2c(n1)CN(CCN(C)C)C2=O 72378363 GYAYGOHIHGZERM-INIZCTEOSA-N 316.405 1.282 0 40 DDAB COc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc3c(c2)OCO3)c1 72227745 AHYDUAMDHFHQPJ-CVEARBPZSA-N 312.325 1.839 0 40 DDAB C[C@@](O)(CNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 75155869 IIXLCZVVHZWTJX-XJKSGUPXSA-N 319.382 1.912 0 40 DDAB CC(C)(C)C1CCC(O)(CNC(=O)CCS(C)(=O)=O)CC1 78929425 XENTYXQTAKIUCL-UHFFFAOYSA-N 319.467 1.505 0 40 DDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)[C@@H]1CCOC1 238845866 IHTSUWCQBOSMBD-CXAGYDPISA-N 305.374 1.372 0 40 DDAB CCOC(=O)c1cnn([C@@H]2CCS(=O)(=O)C2)c1-n1cccc1 223810566 KWZPMSWUUPXTKL-LLVKDONJSA-N 323.374 1.210 0 40 DDAB CN(CC(=O)NCc1ccccn1)c1ncnc2ccccc12 41498972 MRTKXDCYYZPUOF-UHFFFAOYSA-N 307.357 1.777 0 40 DDAB Cc1cc(N2CCOCC2)nc(NC(=S)NC2CCCC2)n1 226006645 ITWNUUJXIVAKJW-UHFFFAOYSA-N 321.450 1.851 0 40 DDAB CCOc1ccc([C@H](COC)NC(=O)c2ccnn2C)cc1 225472668 RRWHBMXKMJFWCQ-AWEZNQCLSA-N 303.362 1.936 0 40 DDAB CCN(CC)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 42629698 AOOSQXPIXIWJGI-UHFFFAOYSA-N 304.799 1.487 0 40 DDAB CC(C)c1ncncc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 572675005 BTUYHBFIDLAPAL-UHFFFAOYSA-N 316.365 1.444 0 40 DDAB COc1ncccc1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 225422322 NWNZLOIIQRJLDK-GFCCVEGCSA-N 314.345 1.482 0 40 DDAB COCCC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485982 OWQFYTXUEHQMLI-ZDUSSCGKSA-N 322.336 1.920 0 40 DDAB biogenic,in-vitro CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 96228760 PFGAMIAJEQKSHE-QGZVFWFLSA-N 320.437 1.383 0 40 DDAB Cn1cc(CN2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cn1 96042581 SSYKHDBANSJUCI-INMHGKMJSA-N 314.389 1.626 0 40 DDAB O=C([C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCC1 96038864 FPCFDPQLGSQKAQ-BFHYXJOUSA-N 321.446 1.602 0 40 DDAB CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1ccoc1)CC2 96218800 TVDNIMWFMRNWGY-HNNXBMFYSA-N 321.421 1.922 0 40 DDAB C[C@@H](Cc1ccsc1)NC(=O)c1cn(C2CCNCC2)nn1 95349793 MXGFHOWFMNBPAX-NSHDSACASA-N 319.434 1.625 0 40 DDAB O=C(CN[C@H](c1cc(F)ccc1F)C1CC1)N1CCOCC1 96493184 DASJUANOGRQALR-INIZCTEOSA-N 310.344 1.864 0 40 DDAB CN(Cc1cccnc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 95432239 AGBNQYZQSCUXQT-MRXNPFEDSA-N 309.369 1.841 0 40 DDAB CN(C)C(=O)N1CCN(Cc2c[nH]nc2-c2cccs2)CC1 96489720 BHVKZFNICRWJNH-UHFFFAOYSA-N 319.434 1.937 0 40 DDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O 514289701 YRPZLQCTCSDNIP-SOUVJXGZSA-N 322.409 1.063 0 40 DDAB biogenic,in-vitro CCS(=O)(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042291 NTPJSXHFCCTSDI-SGMGOOAPSA-N 312.391 1.042 0 40 DDAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(Cc4c[nH]cn4)C[C@@H]32)cn1 96220387 BQXJBHZXMGMTCW-IAOVAPTHSA-N 314.389 1.639 0 40 DDAB Cc1nc([C@H]2C[C@H]3CN(C(=O)c4cccn4C)CC[C@@H]3O2)no1 96046008 BNSCFXGMLMIHIJ-FPMFFAJLSA-N 316.361 1.709 0 40 DDAB CC(C)=CCNC(=O)N1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 331876563 UKCFGTOOCYDPFY-CYBMUJFWSA-N 314.393 1.313 0 40 DDAB O=C(Nc1cnccn1)[C@H]1CO[C@H]2CCN(CC3CC3)C[C@H]2C1 96066041 WDHUOTTWBJVQQQ-KFWWJZLASA-N 316.405 1.552 0 40 DDAB NC(=O)N1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 96402839 LAAQYIDWUGIRAT-UHFFFAOYSA-N 305.422 1.672 0 40 DDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccccc1 96120890 RPUPUTOPFWPMDF-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB C[C@@H](NC(=O)CC1CCOCC1)C1(N2CCOCC2)CCCC1 96449736 ZGFUYUUAGLDWLX-OAHLLOKOSA-N 324.465 1.953 0 40 DDAB COc1ccc(C2=NO[C@@](C)(C(=O)NCCCN(C)C)C2)cc1 96192791 LUPSRLKXWMLEEH-QGZVFWFLSA-N 319.405 1.646 0 40 DDAB CN(C)CC(=O)N1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 96046074 MMPMIQWFOZDURA-YNEHKIRRSA-N 320.393 1.187 0 40 DDAB O=C(NC1CC1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96066964 BUFSIEAVJXEPMW-CYBMUJFWSA-N 303.410 1.283 0 40 DDAB O=C(Cc1cccnc1)N[C@@H]1CCCN(Cc2ccccc2)C1=O 96485635 LTUXLEKHSBNNTB-QGZVFWFLSA-N 323.396 1.932 0 40 DDAB NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@H]3CCOC3)c2)C1 246203727 JMQCDLHMEOLJFJ-IRXDYDNUSA-N 317.433 1.262 0 40 DDAB CCOC[C@H]1CCN(C)C2(C1)CN(c1cc(N(C)C)ncn1)C2 248136153 RTMROSCXFFRXPM-AWEZNQCLSA-N 319.453 1.480 0 40 DDAB CNc1nc([C@@H]2CCCN(C(=O)CCOC)C2)cn2nccc12 257310706 UGEXLZODSHBHGG-GFCCVEGCSA-N 317.393 1.514 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3ccncc3)C2)n1 257233296 GOQVGUGNYNLWCJ-OAHLLOKOSA-N 300.362 1.495 0 40 DDAB Cc1cc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)on1 257233016 GNJXVGKEDXNEDS-ZDUSSCGKSA-N 302.334 1.247 0 40 DDAB COCCN1CC[C@H](Cc2cnc(-c3cc(C)n[nH]3)cn2)C1 257327461 XBLBELUBEAHZPO-CYBMUJFWSA-N 301.394 1.686 0 40 DDAB Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)on1 257328399 XFLMXZUFUSXZFO-INIZCTEOSA-N 316.361 1.139 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cccn2C)n1 257292891 QNJSQESPAHWLLU-CYBMUJFWSA-N 302.334 1.043 0 40 DDAB Cc1ocnc1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257265908 MAWCPDGNBPHXQM-MRXNPFEDSA-N 316.361 1.091 0 40 DDAB Cc1cc(C)n(CCCC(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)n1 257230953 GEPIJNVCZHZNIO-RDJZCZTQSA-N 321.421 1.423 0 40 DDAB COC(=O)[C@H]1CCN(C(=O)CC2=CCCCC2)[C@@H](C(=O)OC)C1 272669698 JZTIYFFIAJFYKF-UONOGXRCSA-N 323.389 1.830 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)c1 26881992 ZSGIADQFEUCHMY-NSHDSACASA-N 323.370 1.976 0 40 DDAB CC(C)CC(=O)N1CC2(C[C@@H](OCC(=O)N(C)C)CS2)C1 575404001 KTKLCEFOWNQLST-GFCCVEGCSA-N 314.451 1.224 0 40 DDAB O=C(N1Cc2nccn2C[C@H](Cn2cncn2)C1)C1(F)CCC1 585110699 VTSIUCOTTRPMNN-LBPRGKRZSA-N 318.356 1.025 0 40 DDAB CN(C)C/C=C/C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585289404 IYQWTJYMZBLYFV-WIUOWWFRSA-N 304.390 1.191 0 40 DDAB O=C(C1CCC1)N1Cc2cncn2[C@H](C(=O)N2CCCCO2)C1 585096044 OPWZPZAUQOPABD-AWEZNQCLSA-N 318.377 1.121 0 40 DDAB Cc1cc2cc(C(=O)N(C)[C@@H]3CC[C@@H](C(N)=O)[C@@H]3O)ccc2o1 585281245 UZPQFDNUAPGADB-NFAWXSAZSA-N 316.357 1.438 0 40 DDAB O=C(c1ccc2c(c1)COC2)N1CCCN(c2cccnn2)CC1 69952271 JOHAPDXNKSVODV-UHFFFAOYSA-N 324.384 1.859 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 68732815 UKMYKNIWCGOPLY-NSHDSACASA-N 307.346 1.724 0 40 DDAB Cc1cccc(N(CCC(N)=O)Cc2ccc(C(N)=O)cc2)c1 69349065 HYWAUJKYBFTLDQ-UHFFFAOYSA-N 311.385 1.976 0 40 DDAB CC(=O)N1CCC(CN2CCC[C@@H]2Cn2nc(C)nc2C)CC1 69558656 PMQYXCKFZRTUKY-QGZVFWFLSA-N 319.453 1.618 0 40 DDAB Cn1cc([C@H]2CCCN2CC(=O)NCCc2cccs2)cn1 71797308 GYMFLFOHVAJDFG-OAHLLOKOSA-N 318.446 1.977 0 40 DDAB C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc2c(c1)OCCO2 44911809 XFHPVHKEWZRDEI-JQWIXIFHSA-N 304.346 1.113 0 40 DDAB C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cnn(C)c1 40528211 NZBIPGNUQHOQAI-AAEUAGOBSA-N 301.412 1.294 0 40 DDAB COc1cccc([C@@H]2CCCN2C(=O)Cn2cccnc2=O)c1 40516596 QUIPNFPDUPKNDK-HNNXBMFYSA-N 313.357 1.616 0 40 DDAB CCc1nc(CN2CCC[C@@H](N(C)Cc3cnn(C)c3)C2)no1 75134003 VHFKAMWUWIQQHS-CQSZACIVSA-N 318.425 1.462 0 40 DDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 75532409 FTYYAUHQSINDHH-ZIAGYGMSSA-N 318.421 1.907 0 40 DDAB CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 79038644 WHDHFECIZLWVJE-YPMHNXCESA-N 303.424 1.370 0 40 DDAB NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1F 95963905 YYGDFYFPVPUOMR-GXSJLCMTSA-N 300.355 1.148 0 40 DDAB COc1cccc(-c2ccc3nnc(SCC(N)=O)n3n2)c1 5168078 IUVXBKVQRVWUMA-UHFFFAOYSA-N 315.358 1.377 0 40 DDAB Cc1nc2n(n1)CCN(C(=O)c1cc(-c3cccs3)[nH]n1)C2 12143348 QBQGFGCMDCQHPH-UHFFFAOYSA-N 314.374 1.694 0 40 DDAB Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1 12530009 PJEIOLLNWVSGFB-STQMWFEESA-N 304.325 1.692 0 40 DDAB biogenic,in-vitro CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 16187957 ZHGLVFASKLXNSX-UHFFFAOYSA-N 318.398 1.624 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(OC)c1 169619870 YJFRWKBHTHRBMP-UNJBNNCHSA-N 319.313 1.297 0 40 DDAB O=C(c1cnccn1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791354 ISCODSLTTFQUIQ-UHFFFAOYSA-N 324.388 1.108 0 40 DDAB Cc1cc(C)nc(Nc2ccc(C(=O)NCC(=O)O)cc2)n1 8020264 HDXXRQXIBUDPEP-UHFFFAOYSA-N 300.318 1.651 0 40 DDAB Cn1cncc1CN1C[C@@H](CN2CCOCC2)c2ccccc21 12147693 RZBBMYCIOXXMFM-OAHLLOKOSA-N 312.417 1.856 0 40 DDAB COC(C)(C)C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(C)=O 1848356587 CVSAQHDQTOCBGT-QDEZUTFSSA-N 308.422 1.802 0 40 DDAB CCCn1c(C)cc(C(=O)COC(=O)C2=NNC(=O)CC2)c1C 5938213 KMPKMLWREWKYSU-UHFFFAOYSA-N 319.361 1.507 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C[C@@H]3COCCO3)C2)nc1 1888849843 AHPHVPRNZUSFPS-HUUCEWRRSA-N 306.410 1.101 0 40 DDAB CN1CCC(NC(=O)c2nn(C)cc2Br)CC1 2776860 APEAIWOFNVYVQU-UHFFFAOYSA-N 301.188 1.007 0 40 DDAB CC1CC(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)C1 1565546686 CVTIVFJLOZPACS-GDVJOBBMSA-N 304.438 1.540 0 40 DDAB O=C(C1CC1)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 2055746321 OEIHLNNATIRDTE-MELADBBJSA-N 306.337 1.768 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)Cc1nnc2n1CCC2 533482212 MIRFXVXFHYBFMV-UHFFFAOYSA-N 300.362 1.628 0 40 DDAB CCCNC(=O)N1C[C@H]2C[C@H](O)[C@@H](n3ccnc3C)C[C@H]2C1 2332242676 HPWHBUXXEAIHHJ-XGUBFFRZSA-N 306.410 1.555 0 40 DDAB CCN(CC)S(=O)(=O)NCCOc1ccc(OC)cc1 30438265 IQBUUTXGRPQAIC-UHFFFAOYSA-N 302.396 1.250 0 40 DDAB COc1ccc(C(=O)C[C@@H](NCc2cccnc2)C(=O)O)cc1 49080 CISOGTUUGFWMDZ-OAHLLOKOSA-N 314.341 1.906 0 40 DDAB CC(C)n1ncc2cc(NC(=O)CN3CCCC3=O)cnc21 31496791 SPGXGJSDGYMJRJ-UHFFFAOYSA-N 301.350 1.573 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 100634770 UUPIQDRVFLAETN-FSZRXZPDSA-N 313.353 1.450 0 40 DDAB biogenic C[C@@H]1NC(C(=O)NCc2cccnc2)=NN(c2ccccc2)C1=O 32646696 GIGAOJZUVZVINN-LBPRGKRZSA-N 323.356 1.036 0 40 DDAB NS(=O)(=O)Cc1ccc(NC(=O)CCc2cccnc2)cc1 32754324 KINMPDWMPQSXFJ-UHFFFAOYSA-N 319.386 1.441 0 40 DDAB COc1ccccc1C1(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 41509136 SCJMLTLDUMYTBN-NSHDSACASA-N 309.387 1.030 0 40 DDAB COc1ccc2[nH]c3c(=O)n(CCc4c[nH]cn4)cnc3c2c1 526225 GHHHSNUMBJROJQ-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB biogenic NC(=O)c1cnc(NCCC(=O)NC2CCCC2)c(Cl)c1 53582559 MKBXISQMQLXWDB-UHFFFAOYSA-N 310.785 1.695 0 40 DDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 23765361 NTZARRVOBAELNS-VIFPVBQESA-N 323.299 1.034 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(Cl)cc1 569722 AFLSLAKQSNHQGN-UHFFFAOYSA-N 324.797 1.863 0 40 DDAB COCC(=O)NC1CCN(C(=S)Nc2ccccc2)CC1 1345959 OCMZIEQSTFUFIM-UHFFFAOYSA-N 307.419 1.610 0 40 DDAB CCc1c(C(=O)NCCNC(C)=O)cnn1-c1ccc(F)cc1 24557671 IKUFRMIHZNWGDO-UHFFFAOYSA-N 318.352 1.440 0 40 DDAB CC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=O)N[C@]1(O)C(F)(F)F 2481206 JHDZPJDJVWEPKT-JBLDHEPKSA-N 320.242 1.636 0 40 DDAB OCCN(CCO)C[C@@H](O)COc1ccc(Cl)cc1Cl 2679988 PALOEAWHSCPFER-LLVKDONJSA-N 324.204 1.020 0 40 DDAB Cc1n[nH]c(S/C(C(=O)O)=C2/C(=O)Nc3ccccc32)n1 1275400 XPLCDVKIHKHMRQ-MDZDMXLPSA-N 302.315 1.653 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H](NCCCO)C(=O)O 4280157 JZZJFDBFLLQENX-LBPRGKRZSA-N 314.769 1.402 0 40 DDAB Cn1cnc2cc(C(=O)NS(=O)(=O)c3cccs3)ccc21 95991759 FKLNREMJTRZAPQ-UHFFFAOYSA-N 321.383 1.754 0 40 DDAB Cc1cc2nc(C)c(CCC(=O)O[C@@H]3CCOC3=O)c(C)n2n1 26197173 KXWCFZHEGHTDBX-CYBMUJFWSA-N 317.345 1.446 0 40 DDAB Cc1csc(N2CCCN(C(=O)Nc3cn[nH]c3)CC2)n1 57029914 COUDKNXAPOHWRN-UHFFFAOYSA-N 306.395 1.919 0 40 DDAB CC(C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 35362433 NZVIRHXCRYIJQA-UHFFFAOYSA-N 304.394 1.043 0 40 DDAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H](O)CN1 37799177 KPLWXCKVYWMOIU-CABZTGNLSA-N 303.189 1.675 0 40 DDAB CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)n[nH]c1=O 9739320 SWKNIGLXNYDJAR-GHMZBOCLSA-N 312.439 1.863 0 40 DDAB O=C(C1CC1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 44867580 PXVFCYDOTONBFK-UHFFFAOYSA-N 312.373 1.791 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NC[C@H]1CCCO1 44891013 SRCLOOAQMLGHDP-CHWSQXEVSA-N 306.362 1.647 0 40 DDAB O=C(NCCNc1cnccn1)c1cc2ccccc2oc1=O 44913683 ZYUKNWHLZCABKD-UHFFFAOYSA-N 310.313 1.425 0 40 DDAB CNC(=O)c1cccc(CNC(=O)NCc2nc(C)cs2)c1 44953012 VCHUEJSNCGQUQH-UHFFFAOYSA-N 318.402 1.811 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCCSC(F)(F)F)C[C@@H](C)O1 36392745 NACHNUJGIQGPFW-HTQZYQBOSA-N 322.374 1.183 0 40 DDAB COc1ncc(NCc2cnn(C(C)(C)C)c2)cc1C(N)=O 95986265 FPBIQLZVYASYOH-UHFFFAOYSA-N 303.366 1.753 0 40 DDAB Cc1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 59393052 HONPGDSTBPQIDV-CYBMUJFWSA-N 310.419 1.043 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccoc2C)C12CCC2 72304223 DWURNBGVAQPBFL-UONOGXRCSA-N 320.389 1.782 0 40 DDAB CCOC(=O)[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)CC 72303229 PXHXLTKJRRKGRL-JQWIXIFHSA-N 300.399 1.243 0 40 DDAB COCCNC(=O)C(=O)NCCOc1ccc2ccccc2c1 59417442 VDGGEQJFMXVYED-UHFFFAOYSA-N 316.357 1.097 0 40 DDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc2c(c1)CCO2 48287725 JTXRLAWICUQGJN-UHFFFAOYSA-N 321.340 1.527 0 40 DDAB CC(C)c1nc(CC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cs1 95399403 MCDKORQLOZHQFC-WDEREUQCSA-N 309.435 1.969 0 40 DDAB O=C(CNC(=O)c1ccc(-c2nnc(S)o2)cc1)NC1CC1 95940185 MPVYLRALRPKYLP-UHFFFAOYSA-N 318.358 1.034 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1ccccc1Br 178913386 WUJKSDZTPWVYFQ-GFCCVEGCSA-N 300.152 1.330 0 40 DDAB CN(CC(=O)N(C)C)Cc1cc(=O)oc2cc3c(cc12)CCC3 19537777 KCWKYEPCYDRHOB-UHFFFAOYSA-N 314.385 1.802 0 40 DDAB COc1c(CN2CCN(c3ncccc3F)CC2)c(C)nn1C 93687558 DDUICXGNTNDRLX-UHFFFAOYSA-N 319.384 1.593 0 40 DDAB C[C@@H](CO)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 95442467 SPYJVIUTFSMWTA-LLVKDONJSA-N 315.391 1.145 0 40 DDAB O=C(O)CCCCCNS(=O)(=O)c1ccc(F)c(F)c1 4206351 CSRMPLDUCOMJGM-UHFFFAOYSA-N 307.318 1.888 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1 65390694 RYBLGMUICVZRRJ-LLVKDONJSA-N 324.402 1.147 0 40 DDAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cnn(CC(N)=O)c1 65422994 MHMDJOUDCJZAPJ-LBPRGKRZSA-N 315.377 1.511 0 40 DDAB CCN1CC[C@@H](CNC(=O)NCCc2cn3ccccc3n2)C1 65449344 XGEVUPBWUHDXPE-AWEZNQCLSA-N 315.421 1.518 0 40 DDAB C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 65451787 XMUZMPJLNASRAP-UWVGGRQHSA-N 311.407 1.493 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(CCO)C1CC1 65541653 MRRHANCJTGTATQ-UHFFFAOYSA-N 312.391 1.387 0 40 DDAB CC(C)CN1CCO[C@H](CNC(=O)NCCc2ccncc2)C1 95417602 FVWOYFRFUQKHQE-MRXNPFEDSA-N 320.437 1.280 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C)cc1 4700132 HSFQXMDCEHXFNL-HNNXBMFYSA-N 303.406 1.212 0 40 DDAB NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 7071837 QCHWVUGOZACREB-UHFFFAOYSA-N 317.418 1.835 0 40 DDAB CNC(=O)NCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 90057248 FOHHSXGJOBECFP-AWEZNQCLSA-N 318.421 1.038 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 80190816 PTGPGDGZKVLCEQ-QWHCGFSZSA-N 311.813 1.989 0 40 DDAB CC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 95440492 GNWUNMOQFICFPM-UHFFFAOYSA-N 324.446 1.884 0 40 DDAB Cc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)s1 7671902 JBZLGQGNSBIZIR-UHFFFAOYSA-N 305.384 1.980 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@H]1C1OCCO1 69292847 BYCSFYDKLNSXIR-NEPJUHHUSA-N 322.361 1.152 0 40 DDAB NC(=O)[C@@H](CNC(=O)c1ccncc1)Cc1ccc(F)cc1 71826752 RLJVYBFHOBYBIL-CYBMUJFWSA-N 301.321 1.295 0 40 DDAB O=C(OCCCn1nnc(-c2ccccc2)n1)C1CCOCC1 66734955 HZJBNCCLYCEARR-UHFFFAOYSA-N 316.361 1.700 0 40 DDAB COc1ccc(-c2cnc(CNC[C@@H]3CN(C)CCO3)o2)cc1 71879289 XHLLOPLAIHZWCO-OAHLLOKOSA-N 317.389 1.770 0 40 DDAB C[C@H](Cn1cccn1)N[C@H](C)C(=O)NCCc1cccs1 69371185 UEYQOMZXQXILRA-CHWSQXEVSA-N 306.435 1.670 0 40 DDAB c1ccc(-n2nnnc2Sc2nnnn2C2CCCC2)cc1 8392135 VJMFQPVRTYFFJB-UHFFFAOYSA-N 314.378 1.915 0 40 DDAB COCCN1CC[C@@H](NCc2ccccc2N2CCOCC2)C1 71886604 QYOIFQDOTDMRGP-QGZVFWFLSA-N 319.449 1.334 0 40 DDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)N(C)C 69492658 MLSADFQATQLWNB-ZDUSSCGKSA-N 311.470 1.918 0 40 DDAB O=C(CN1CCCC[C@H]1C1OCCO1)NCc1ccccc1 69454382 BFWAHDIDFHOBPO-HNNXBMFYSA-N 304.390 1.530 0 40 DDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc[nH]1 8401653 PKWXSKQMVRPNSB-SNVBAGLBSA-N 307.375 1.495 0 40 DDAB C[C@@H](c1ccc(F)cc1F)N1CCN([C@H]2CCOC2=O)CC1 69509689 RQWUFQAXHQIVGT-NHYWBVRUSA-N 310.344 1.959 0 40 DDAB COc1ccc([C@H](CO)N(C)Cc2ccc(C(N)=O)cc2)cc1 71904373 INKMLYGDHKETLL-KRWDZBQOSA-N 314.385 1.960 0 40 DDAB Cn1cc(S(=O)(=O)N2CC[C@H](c3cccc(F)c3)C2)cn1 69631862 MBMITZKXOGEQHO-LBPRGKRZSA-N 309.366 1.737 0 40 DDAB C[C@H](NC(=O)NCC(=O)NCCc1ccccc1)[C@H]1CCCO1 69633003 VQQRKVUNRKZQTR-DZGCQCFKSA-N 319.405 1.212 0 40 DDAB Cc1noc(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)n1 69849500 FXRFJJCRAWTAJR-CJNGLKHVSA-N 316.405 1.618 0 40 DDAB Cn1cc(N2CC[C@H](NC(=O)c3c(F)cccc3F)C2=O)cn1 72287340 BDXSZGRJBRHDDT-LBPRGKRZSA-N 320.299 1.234 0 40 DDAB Cc1ccc(/C=C/C(=O)Nc2ccn(CCS(C)(=O)=O)n2)o1 72294730 JYGVHVJYDROODT-AATRIKPKSA-N 323.374 1.481 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)n1 72253256 MYYNXSVYDXIOSE-HUUCEWRRSA-N 322.409 1.254 0 40 DDAB CCc1csc([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 72282137 BZHMLIBLCBCLQP-CMPLNLGQSA-N 307.419 1.690 0 40 DDAB CCn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2ccccc21 23119861 LFBJBWGAHSDPHB-LBPRGKRZSA-N 300.358 1.930 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)NC[C@@H]1CCOC1)CC2 89429454 JPKZCUHHAKOFNM-LBPRGKRZSA-N 320.389 1.808 0 40 DDAB O=C(CN1CCN(C(=O)CC2CCCCCC2)CC1)NC1CC1 89818865 DTQLHLFEFCZSBS-UHFFFAOYSA-N 321.465 1.770 0 40 DDAB CCN(CC)S(=O)(=O)NC(=O)Cc1c[nH]c2c(C)cccc12 76021603 BPVUUKMXZUHLFF-UHFFFAOYSA-N 323.418 1.722 0 40 DDAB CC(C)COCCC(=O)Oc1ccc(O[C@@H](C)C(N)=O)cc1 76022297 MYWSCJVXNYTKRS-LBPRGKRZSA-N 309.362 1.907 0 40 DDAB Cc1c(C(=O)N[C@H]2CCCNC2)cnn1-c1ccc(F)cc1 123981561 ALSUYUCZYWSXDM-ZDUSSCGKSA-N 302.353 1.802 0 40 DDAB CC(=O)N1CC[C@]2(CN(Cc3ccccc3)Cc3cn(C)nc32)C1 306143223 XWRSMAVPJCKSGO-IBGZPJMESA-N 324.428 1.926 0 40 DDAB CCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217542816 QFRQCTDOTGBTKR-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)CC1 558633266 CQEBOWHNQXFIJL-ZDUSSCGKSA-N 321.402 1.602 0 40 DDAB O=C(CN1CCC[C@H](O)CC1)NC1C2CC3CC(C2)CC1C3 559479914 UAWCCTLVFKSVGE-STWSTGMMSA-N 306.450 1.774 0 40 DDAB O=C(O)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 79413617 GMCJAJRDQGANJE-AWEZNQCLSA-N 306.362 1.709 0 40 DDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1 30359265 ZRQYFMOACQDPEO-UHFFFAOYSA-N 305.787 1.017 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1SC2=NCCN2C1=O 36635301 FDTNVHSDDARISO-LLVKDONJSA-N 305.359 1.337 0 40 DDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1c(F)cccc1F 44936019 VMPAXFFRWJETLJ-SECBINFHSA-N 301.318 1.528 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCCc1ccccc1 45954438 BKSHLAGKTWYNQU-UHFFFAOYSA-N 321.384 1.954 0 40 DDAB O=C(NCc1nc2ccccc2[nH]1)c1nnn(-c2ccccc2)n1 75163256 KMICQUKNCWTKAQ-UHFFFAOYSA-N 319.328 1.469 0 40 DDAB CCCn1c(=O)sc2cc(S(=O)(=O)NCC)ccc21 225721161 RFHUQYFKYMQKMS-UHFFFAOYSA-N 300.405 1.771 0 40 DDAB O=c1c2cc3c(cc2[nH]c(=S)n1C[C@H]1CCCO1)OCO3 40478802 TUUPLJQGWZTQIX-MRVPVSSYSA-N 306.343 1.967 0 40 DDAB O=C(NCc1nc(-c2ccccn2)n[nH]1)c1cnn2c1CCCC2 571163601 ABYHXMZTKHTHRD-UHFFFAOYSA-N 323.360 1.330 0 40 DDAB CCSc1ncc(Cl)c(C(=O)NCCCC(=O)OC)n1 41097391 TXVQNPJIJFERHI-UHFFFAOYSA-N 317.798 1.925 0 40 DDAB CC(=O)NCCCNC(=O)N1CC[C@@H](Cc2ccccc2)C1 96437594 GUDZHGKJCWWXOA-INIZCTEOSA-N 303.406 1.787 0 40 DDAB CCN1CCN(c2ccc(C(=O)N[C@H](C)CCOC)cc2)CC1 96418671 ZCCXVLVDGPBXQL-OAHLLOKOSA-N 319.449 1.983 0 40 DDAB COc1cc(F)ccc1CC(=O)N1CC[C@@H](OC)[C@H]2OCC[C@@H]21 96218360 XLZHTPJVTBLGJV-VBQJREDUSA-N 323.364 1.782 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)Cc3ccco3)CC2)CN1C 96209696 SREPBZIMEKVVRD-AWEZNQCLSA-N 306.406 1.781 0 40 DDAB CC(C)N(C)[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]2CCCO[C@@H]21 96040590 NDGIQRZDJZLKOF-IMJJTQAJSA-N 318.421 1.436 0 40 DDAB CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CN)C2CC2)c1 97229360 MYIVERUXFRKFAJ-GFCCVEGCSA-N 316.810 1.558 0 40 DDAB CC(C)CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181822 CFONBDXVQCARDY-CABCVRRESA-N 308.353 1.496 0 40 DDAB C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)Cc1ccon1 96427891 CPQQXSNIGVCPBY-DOMZBBRYSA-N 322.386 1.966 0 40 DDAB CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2c1cnn2C 96044606 IFTTXDMWPZHRSK-ZDUSSCGKSA-N 314.389 1.520 0 40 DDAB C[C@](O)(CNC(=O)NCc1nc(C2CC2)no1)c1ccsc1 96419901 FYVDEJSOAZBVJD-AWEZNQCLSA-N 322.390 1.715 0 40 DDAB COc1cccc(CN2CCc3nc(C(N)=O)sc3CC2)c1 96146996 WVGJAMQHSPZUHN-UHFFFAOYSA-N 317.414 1.851 0 40 DDAB Cc1cc(CN2CCn3cc(C(=O)NC(C)C)nc3[C@H]2C)no1 247940989 UTINOOXRHBYALO-GFCCVEGCSA-N 317.393 1.895 0 40 DDAB COc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccccc2)cc1 242648557 QZTGSBKLXUUZFV-PMPSAXMXSA-N 303.383 1.962 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1cccc(OC)c1 257255960 KJOMYYPHAWUGSC-ZBFHGGJFSA-N 320.389 1.103 0 40 DDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2ccnn2C)n1 257334460 YFZFIDJNXQZZKB-INIZCTEOSA-N 314.437 1.917 0 40 DDAB CN1CCN(CC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 257263126 LONPOPNYYOXSQY-QGZVFWFLSA-N 301.434 1.988 0 40 DDAB CCN1CCN(c2nn(-c3ccc(F)cc3)nc2C(=O)O)CC1 256046300 FBPDBULTDOABIE-UHFFFAOYSA-N 319.340 1.247 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@@H](c2cnccn2)C1 257302488 SDCMYPXGBOEETO-CQSZACIVSA-N 316.405 1.585 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257248091 JCAYZCZVPXBTOL-INIZCTEOSA-N 316.361 1.058 0 40 DDAB O=C(Cc1cccs1)N1CCOC[C@H](Cc2ccncn2)C1 257234826 GVGQLDVEGDAFIL-CYBMUJFWSA-N 317.414 1.798 0 40 DDAB COc1ccc2c3c1O[C@]1(C)[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 253504999 OMGSJARTUSJECS-LMILNIMJSA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro Cc1ccn(CCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)n1 257280804 OMNBGQZACDSUPG-AWEZNQCLSA-N 307.394 1.114 0 40 DDAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2Cc2cnn(C)c2)n1 257268262 MKXTUZDIXWSOTG-MRXNPFEDSA-N 314.393 1.129 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCOC[C@H]2c2ccn[nH]2)s1 257202533 AMGCDXKZYFKWLT-LBPRGKRZSA-N 306.391 1.626 0 40 DDAB O=C1NC(=S)N/C1=C/c1ccc(I)o1 48383 UFUZEITXFGYPNK-HWKANZROSA-N 320.111 1.229 0 40 DDAB CN(C)c1ccnc(CNC(=O)Nc2ccc3c(c2)OCO3)n1 96121030 MUGOBMVOFVHZNJ-UHFFFAOYSA-N 315.333 1.593 0 40 DDAB CN(C)[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]2CCCO[C@@H]21 585108458 MORXMTXVKFBMFQ-GUTXKFCHSA-N 307.369 1.402 0 40 DDAB NC(=O)c1cccc(C(=O)Nc2cccc(Cn3cncn3)c2)c1 47233080 GBLUEGUBNCWXEP-UHFFFAOYSA-N 321.340 1.678 0 40 DDAB Cc1cc(C(=O)CCC(=O)N2CCO[C@H](C(N)=O)C2)c(C)s1 50859639 GRLHUWQKVXDBSX-ZDUSSCGKSA-N 324.402 1.041 0 40 DDAB O=C(NCc1cccs1)[C@H]1CCCN(C(=O)NC2CC2)C1 42384746 JVJZKBIMHDVVOS-NSHDSACASA-N 307.419 1.948 0 40 DDAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@]1(C(=O)O)CCOC1 85852084 XNSGJWWOYDVVQB-CYBMUJFWSA-N 318.156 1.896 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CC(OC[C@@H]2CCOC2)C1 1775966249 VTDAUOZQOQCSDT-WBMJQRKESA-N 319.357 1.090 0 40 DDAB CC(C)CN[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258716 AEOFCAILVSJIPT-LBPRGKRZSA-N 300.305 1.992 0 40 DDAB CSc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C)nc32)cc1 12114155 YZFRLLNKPWNQKD-UHFFFAOYSA-N 315.358 1.238 0 40 DDAB CCCNC(=O)Cn1nc(C)n2c(cc3ccsc32)c1=O 12114229 JXXLCPYALDNDGW-UHFFFAOYSA-N 304.375 1.545 0 40 DDAB CC(C)NC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12296524 MSOONEMLYFEONF-UHFFFAOYSA-N 314.389 1.760 0 40 DDAB biogenic CNC(=O)CSc1nnc(-c2ccccc2)n1CCOC 12351467 MYKUEIVBYCANFL-UHFFFAOYSA-N 306.391 1.430 0 40 DDAB COc1ccccc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O 13793906 NCDZEZSOLRSSDX-GFCCVEGCSA-N 312.391 1.448 0 40 DDAB C[C@@H]1CN(Cc2cn(Cc3cccnc3)nn2)CC2(CCC2)O1 519713904 YGMWTVHQWQNIKX-CQSZACIVSA-N 313.405 1.865 0 40 DDAB CC(C)N1C(=O)C(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O 18264003 IQYIGVLQMBIAQU-UHFFFAOYSA-N 314.301 1.436 0 40 DDAB CC(C)(C)c1cn2nc(C(=O)N3CCC[C@H]3C(N)=O)ccc2n1 1888855747 FFAPOYJTOPQOTF-NSHDSACASA-N 315.377 1.117 0 40 DDAB CC(=O)c1ccc(OC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 16959417 BBICOZLENNPIFG-ZDUSSCGKSA-N 311.359 1.219 0 40 DDAB O=C(c1ccn[nH]1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238867253 MBIBJJFWPXUHAT-OLZOCXBDSA-N 309.329 1.816 0 40 DDAB CC(C)N1C[C@]2(CCN(C(=O)c3cncs3)C2)COCC1=O 2037984657 IQKTVUASSOQAFM-OAHLLOKOSA-N 323.418 1.243 0 40 DDAB CN1C[C@]2(CCN(C(=O)Cc3cccc(F)c3)C2)COCC1=O 2037985841 XZXVILGHLJAJRJ-KRWDZBQOSA-N 320.364 1.076 0 40 DDAB COC[C@@H]1CN(C(=O)c2ncnc(C)c2C)Cc2cn(C)nc21 1147065965 OFTPJBHICJAKOV-ZDUSSCGKSA-N 315.377 1.213 0 40 DDAB CN(C)c1cccc(C(=O)N2CCCN([C@@H]3CCOC3)CC2)c1 1565521976 LCEIJXHYLMTOLK-QGZVFWFLSA-N 317.433 1.689 0 40 DDAB COc1cccc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12 12234796 STOOFSXFWNKACY-UHFFFAOYSA-N 302.330 1.792 0 40 DDAB CCCc1nnc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)s1 31274466 AIRMPWNKIOTDCO-UHFFFAOYSA-N 307.379 1.372 0 40 DDAB CC1(C)NC(=O)N(CCSCC(=O)Nc2ccccc2)C1=O 31421437 XFLDLGVPLINVBA-UHFFFAOYSA-N 321.402 1.689 0 40 DDAB Cc1noc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)n1 40489613 JEKQUQYETGMRRR-UHFFFAOYSA-N 310.379 1.549 0 40 DDAB CCCc1noc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1 31815607 CMLHDNPTGRIESI-UHFFFAOYSA-N 320.349 1.646 0 40 DDAB O=C(NCCc1ccccn1)c1cccc(N2CCNC2=O)c1 40527872 NAPRZYXXIZSJKH-UHFFFAOYSA-N 310.357 1.584 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 51406166 KUDDBYRICSVERS-LBPRGKRZSA-N 317.455 1.290 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2 20744354 DBVFFPMMSXCGDM-SNVBAGLBSA-N 321.287 1.641 0 40 DDAB O[C@H](COc1ccccc1-c1cccnc1)CN1CCOCC1 32503441 NLHDVHGUFPGRAP-INIZCTEOSA-N 314.385 1.821 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NCC3CCC3)ccc2c1=O 32664753 PYWPVBMLNORASF-UHFFFAOYSA-N 315.373 1.801 0 40 DDAB CN1C(=O)c2ccc(C(=O)NCC[C@@H]3CCCO3)cc2C1=O 32809367 XZIRAKAHTRRXBB-NSHDSACASA-N 302.330 1.211 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)C1 32917402 BIJPYEGILDRZEE-GRYCIOLGSA-N 304.412 1.006 0 40 DDAB COC(=O)COc1cccc(NC(=O)c2ccc[nH]c2=O)c1 32830644 KUVBCCRMBSLIHQ-UHFFFAOYSA-N 302.286 1.179 0 40 DDAB O=C(O)c1ccc2c(=O)n(-c3ccccc3F)c(=O)[nH]c2c1 21966439 XLXXNSUJHRHCIE-UHFFFAOYSA-N 300.245 1.516 0 40 DDAB CC(C)[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1 22057929 ALWBASXDLPTIFS-QGZVFWFLSA-N 317.433 1.697 0 40 DDAB C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C[C@@H](C)O1 540880 ZJOGADBZWGFYOX-BZPMIXESSA-N 306.362 1.501 0 40 DDAB c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1 53274795 NHYBCEUNQSZDRF-UHFFFAOYSA-N 320.400 1.985 0 40 DDAB O=C(NCc1cccnc1-n1cncn1)NC1CCCCC1 47579221 AUSPLBBUYWWJCL-UHFFFAOYSA-N 300.366 1.794 0 40 DDAB O=C(NCc1nncn1-c1ccccc1)NC[C@@H]1CCCO1 47580212 DUMJOJMDTOUJEU-ZDUSSCGKSA-N 301.350 1.246 0 40 DDAB CC[C@]1(c2ccccc2)NC(=O)N([C@@H]2C[C@@H](C)OC2=O)C1=O 23640620 ACQQINPHKWWUOR-NSODJVPESA-N 302.330 1.548 0 40 DDAB CN(Cc1cnn(C)c1)S(=O)(=O)N1CCC[C@@H]1c1ccco1 78879800 QWZJEBUHTHDZGT-CYBMUJFWSA-N 324.406 1.527 0 40 DDAB CCN1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1 78965221 JAWGRBKILOJAMM-XHDPSFHLSA-N 310.369 1.732 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)c1ccc2c(c1)NC(=O)CS2 24804088 GWDJWJVDERGGRI-SNVBAGLBSA-N 316.386 1.746 0 40 DDAB CCOC(=O)[C@](O)(NC(=O)Nc1ccccc1)C(F)(F)F 3138021 GBWHYVMJDUUHHP-LLVKDONJSA-N 306.240 1.622 0 40 DDAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1ccccn1 106625369 SOJUSBAUDLNKCT-UPJWGTAASA-N 310.419 1.748 0 40 DDAB O=C(CNC(=O)c1cccs1)OCC(=O)c1cccs1 4388529 WRJMWPZDOPULMY-UHFFFAOYSA-N 309.368 1.966 0 40 DDAB C#CCOc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 6951428 SRYRGQPXXDAOEK-FMIVXFBMSA-N 300.314 1.620 0 40 DDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O 7882118 PNVIOSVTZJPZIF-KBMXLJTQSA-N 316.401 1.891 0 40 DDAB O=C([C@H]1COCCO1)N(Cc1ccccc1)C[C@H]1CCCO1 56150174 GYJGLEZXIKLOLX-HZPDHXFCSA-N 305.374 1.610 0 40 DDAB Cc1nn2c(=O)/c(=C\c3cccc(Cl)c3)sc2nc1=O 27019867 XONACZWVVJTRKS-UXBLZVDNSA-N 305.746 1.021 0 40 DDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)F)s1 58152422 RUEHPXSLRROXCD-RXMQYKEDSA-N 316.289 1.826 0 40 DDAB Cc1cnc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cn1 44911308 QXDWJXBXXZUHIP-AWEZNQCLSA-N 304.394 1.112 0 40 DDAB C[C@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)[C@H](C)CO1 44909615 AJBOWSRHQSTILO-OLZOCXBDSA-N 317.389 1.366 0 40 DDAB CC1CCN(c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)CC1 57332322 ISYMELVPYOHWRY-ZDUSSCGKSA-N 301.390 1.761 0 40 DDAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)c2c(C)noc2n1 28478153 KPOXXNOMUOQJFA-JTQLQIEISA-N 305.334 1.910 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2ccccc2)cn1 10990884 FPWKNGVQEILPNC-LBPRGKRZSA-N 313.357 1.525 0 40 DDAB CCCCn1c(N)c(NCc2ccccc2OC)c(=O)[nH]c1=O 3246429 FLSNRHFZAAEVJQ-UHFFFAOYSA-N 318.377 1.540 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NCCc2cccc3cccnc23)C1 45410822 CSPAJFKEEIKYRZ-CQSZACIVSA-N 312.373 1.294 0 40 DDAB CCOC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 2450405 RWTIEPZTGZKZKK-UHFFFAOYSA-N 314.382 1.313 0 40 DDAB O=S(=O)(Cc1ccccc1)c1nnnn1-c1ccccc1 2478061 OSGGKOOYEDWDJN-UHFFFAOYSA-N 300.343 1.636 0 40 DDAB Fc1ccc([C@H]2CN(c3ccc4nnnn4n3)CCO2)cc1 29528218 YSDIFLXVTYMVLK-GFCCVEGCSA-N 300.297 1.236 0 40 DDAB O=C1CC2(CCN(C(=O)c3ccncc3)CC2)CN1CC1CC1 108530887 VQAWRGOUEMYBIM-UHFFFAOYSA-N 313.401 1.946 0 40 DDAB CCc1cc2c(=O)n(CC(=O)NCc3ccco3)cnc2s1 2887386 YRTFFOHUPWLDEZ-UHFFFAOYSA-N 317.370 1.930 0 40 DDAB O=C(CCN1CCSC1=O)NCc1nnc2n1CCCCC2 48291104 KQTVVHLDNRCUGL-UHFFFAOYSA-N 323.422 1.180 0 40 DDAB CCOc1nnc(CN2CCC(NC(=O)C3CC3)CC2)s1 48276385 TUPMJNIRLAXQKZ-UHFFFAOYSA-N 310.423 1.427 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)COC)cc1 12742973 IFVOVUZOZOTKEC-RYUDHWBXSA-N 308.378 1.216 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC2CC2)c1C 3590643 MKQLJMKTXQXJKQ-UHFFFAOYSA-N 308.334 1.244 0 40 DDAB O=C(NC1=NCCS1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12983334 OKVZENXDBZMCCM-LBPRGKRZSA-N 319.386 1.637 0 40 DDAB C[C@@H](NC(=O)CCc1n[nH]c(=S)[nH]c1=O)c1ccc(F)cc1 12994038 XNWYPUKUDLUOQB-MRVPVSSYSA-N 322.365 1.777 0 40 DDAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCNC(=O)C4)cc3c2C1 12935565 FFOZORQZNFJLFA-NSHDSACASA-N 311.385 1.865 0 40 DDAB C[C@@H](CCSc1ccccc1)N1CCN(CC(N)=O)CC1 95428283 RUJNUSARGJHHFU-AWEZNQCLSA-N 307.463 1.660 0 40 DDAB CCN1C(=S)N(c2ccc(C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 4168720 YFPFWHDHVLZDJT-OLZOCXBDSA-N 310.444 1.587 0 40 DDAB Cn1cc(CNC(=O)N2CCCN(c3nccs3)CC2)cn1 64764024 ZDBWHOROWGYQCA-UHFFFAOYSA-N 320.422 1.299 0 40 DDAB CC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@@H]1CCCO1)n2C 13684770 VBHWXTRQPKTRDE-AWEZNQCLSA-N 316.361 1.327 0 40 DDAB O=C(NCc1ccco1)N[C@@H]1CS(=O)(=O)c2ccccc21 95409529 RJYYRBXYZGUYLA-GFCCVEGCSA-N 306.343 1.607 0 40 DDAB CCCC[C@@]1(C(=O)OCC)C[C@@H](CSC(=N)N)OC1=O 6072846 VBPUCZORUYLSTE-ZANVPECISA-N 302.396 1.668 0 40 DDAB COC[C@](C)(NC(=O)[C@H](C)CN1CCOCC1)c1ccccc1 95453211 WIOHWKXEKMBDLZ-QAPCUYQASA-N 320.433 1.633 0 40 DDAB COC(=O)[C@H]1CN(Cc2nc(-c3cccs3)n[nH]2)C[C@@H](C)O1 95456080 CLHCYQOSDAJIPG-NXEZZACHSA-N 322.390 1.296 0 40 DDAB COC[C@@H](NCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 95985908 JTVHYPGGOJPVSD-CQSZACIVSA-N 314.332 1.101 0 40 DDAB CC(=O)N1CC[C@@H](NC(=O)C2(O)CCCC2)c2ccccc21 95441651 QFBPNFXHUPDULJ-CQSZACIVSA-N 302.374 1.906 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 65506695 YDUALOLCNOPTPD-JKSUJKDBSA-N 319.380 1.945 0 40 DDAB Cc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)o1 65547451 SPYIIWWETPHTCS-UHFFFAOYSA-N 303.362 1.150 0 40 DDAB CCCn1nnnc1CN(CC)C[C@H]1COc2ccccc2O1 65622037 QJOBAKQIMWVXKF-ZDUSSCGKSA-N 317.393 1.745 0 40 DDAB CCCCn1nnnc1CSc1nc2nc(C)cc(C)n2n1 14249070 JRBRCKFJYGEPCM-UHFFFAOYSA-N 318.410 1.820 0 40 DDAB CCCN1CCC(NS(=O)(=O)c2cccc3nonc23)CC1 14252415 ZDEBDSAELCOWJV-UHFFFAOYSA-N 324.406 1.376 0 40 DDAB Cc1ccc(-c2noc(CSc3nnnn3C)n2)cc1F 14201643 NMIILHYIUPBTQQ-UHFFFAOYSA-N 306.326 2.000 0 40 DDAB Cc1ccc(C)c(COCCOCn2cc(C)c(=O)[nH]c2=O)c1 4697964 CIGMONOEEWVTCN-UHFFFAOYSA-N 318.373 1.653 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)NC(=O)N1 5783964 XCMXSKIEAQUORC-AWEZNQCLSA-N 301.346 1.173 0 40 DDAB COc1ccc(CC(=O)NCCCn2ccnc2)cc1OC 5940549 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CNC(=O)c1ccc(CN(C)C(=O)NCc2ccco2)cc1 17115195 YZEXMACTVJJQEG-UHFFFAOYSA-N 301.346 1.981 0 40 DDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccn(C)n2)C1 71921722 WNMHIWWQOLPVRG-GFCCVEGCSA-N 307.398 1.436 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2noc(C3CC3)n2)n1 69560100 PKGTWFDCIXVXBY-CYBMUJFWSA-N 302.382 1.820 0 40 DDAB Cc1cc(Br)ccc1CN1CCN2C(=O)NC[C@H]2C1 91865484 HEWYIMZOEUETOJ-ZDUSSCGKSA-N 324.222 1.967 0 40 DDAB O[C@@H](COc1ccccc1F)Cn1nnc(-c2cccnc2)n1 69708177 QPNXCGZODWXWRW-GFCCVEGCSA-N 315.308 1.314 0 40 DDAB NC(=O)C1(NC(=O)c2cc(Cl)c3ccccc3c2O)CC1 92600796 UNXOJHYVDMIALS-UHFFFAOYSA-N 304.733 1.947 0 40 DDAB COCCS(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 72273665 IARRNLKOPHZYAY-HNNXBMFYSA-N 306.387 1.737 0 40 DDAB CC(C)c1nnc2n1C[C@@H](CNCCCN1CCCC1=O)CC2 72252991 QIPAEDAZGNPEIB-CQSZACIVSA-N 319.453 1.566 0 40 DDAB CC(CO)(CO)NC(=O)Nc1cc(Br)ccc1F 95979242 ZVCVUICHQVBBHB-UHFFFAOYSA-N 321.146 1.453 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CCc3ccsc3)CCO2)n1 89289743 FGXCXFCYNGVNIL-GFCCVEGCSA-N 320.418 1.961 0 40 DDAB CC[C@@H](CCO)NS(=O)(=O)c1ccc(Br)cn1 89943291 DZEDPJIWHCFRGI-VIFPVBQESA-N 323.212 1.283 0 40 DDAB CCCn1nc(C)c(C(=O)N[C@@H](C)CCN2CCOCC2)c1C 89960627 CZASCSWXHGWNAV-ZDUSSCGKSA-N 322.453 1.751 0 40 DDAB O=C(NC[C@@H](O)C1CCCC1)c1ccccc1Cn1cncn1 76083292 BRDFHMXQJHNDJC-MRXNPFEDSA-N 314.389 1.607 0 40 DDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCc3ccccn3)C2)C1=O 76058882 WKJYTMJKJBAZFO-DYVFJYSZSA-N 316.405 1.276 0 40 DDAB CCOC1CC2(CCN(C(=O)N[C@H]3CC[S@@](=O)C3)C2)C1 557714627 VKNRYACDRJEOFP-DFVBNSNVSA-N 300.424 1.108 0 40 DDAB C[C@@H](C(=O)NS(=O)(=O)c1cccs1)N1CCCCCC1 123579978 FJSKXKZVBBYGSB-NSHDSACASA-N 316.448 1.818 0 40 DDAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCC(C(N)=O)CC1 408702051 AITCAIHXQGQYLS-OAHLLOKOSA-N 320.389 1.577 0 40 DDAB CN(CCO)c1ncnc2c1nnn2Cc1ccccc1Cl 35315932 YQYYSVMOXVCMFC-UHFFFAOYSA-N 318.768 1.352 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1 120282014 NEEUYHWXVQXRES-UHFFFAOYSA-N 306.343 1.347 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC 218558422 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c1ccc(OC[C@]23COC[C@H]2CN(C2CCOCC2)C3)nc1 96109057 MJLLDQGXFPNRCC-PBHICJAKSA-N 304.390 1.588 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccco3)CCO2)C1 96049739 AURTYGVIPSRDMJ-MRXNPFEDSA-N 308.378 1.231 0 40 DDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(c4nnc(C)s4)C[C@H]23)n1 96215562 DYUJLMFWUKYXLN-GMTAPVOTSA-N 307.379 1.232 0 40 DDAB C[C@@H](O)CN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 96074697 FEECHGSLMOWDLY-OAHLLOKOSA-N 322.424 1.873 0 40 DDAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1 96261390 CWTZOXKNHQSGPZ-UKPHBRMFSA-N 301.365 1.955 0 40 DDAB COCC(=O)NC[C@H](C)Oc1cccc(Br)c1 96431865 XHAWUADRQASMDP-VIFPVBQESA-N 302.168 1.979 0 40 DDAB CN1CCOC[C@@]2(CCCN(C(=O)c3ccncc3F)C2)C1 96076198 ZLZLRMLYQOHJAP-INIZCTEOSA-N 307.369 1.405 0 40 DDAB O=C([C@@H]1CCO[C@@H]2CCN(CC3CCC3)C[C@H]21)N1CCCO1 96043395 HSDSRCVYBLABNR-OWCLPIDISA-N 308.422 1.677 0 40 DDAB Cn1ccnc1C(=O)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96073109 WFRZSJYHLOSVBN-CQSZACIVSA-N 319.405 1.610 0 40 DDAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1ccco1)C2 248062962 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315.421 1.948 0 40 DDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)CCc2cnn(C)c2C)C1 257277600 NYRCTXKHBPLEHI-AWEZNQCLSA-N 301.394 1.709 0 40 DDAB CCOc1cccc([C@H](O)CN(C)C(=O)c2cncnc2O)c1 257242309 IBWPXSGDRYRSDO-CQSZACIVSA-N 317.345 1.387 0 40 DDAB CCn1cc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cn1 257312119 UMOYLGZWMLPWRC-NSHDSACASA-N 301.350 1.418 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCCC[C@]2(C)NC(=O)CC[C@H]12 257268017 MJWXDWYHBDSFCL-BBRMVZONSA-N 304.394 1.392 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 257260062 LBEJZLJKFQXOLG-CYBMUJFWSA-N 301.350 1.041 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@]2(OC)CCSC2)cc1 96097581 XIIIUXFPSWDNSD-OAHLLOKOSA-N 309.387 1.725 0 40 DDAB O=S(=O)(c1ccc(Cl)s1)N1Cc2cncnc2C1 96025509 XMPSIILHTALBFD-UHFFFAOYSA-N 301.780 1.896 0 40 DDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC2)C1 575406276 YWVMOEQGKGXYEN-CYBMUJFWSA-N 314.345 1.260 0 40 DDAB CC(=O)N1CCCC[C@H]2CN(CC3(O)CCOCC3)CC[C@H]21 585284415 RUFXIAFFXKNALQ-JKSUJKDBSA-N 310.438 1.251 0 40 DDAB COCc1ccc(CN(CC(C)C)[C@@H]2COC[C@@H](O)[C@H]2O)o1 585290443 DAJIHONISIDKOI-OAGGEKHMSA-N 313.394 1.005 0 40 DDAB O=C(C1CC(F)C1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@@H]2C1 585109008 NIUCXODHFVTFSK-HTXSYXIBSA-N 324.396 1.363 0 40 DDAB Cc1n[nH]cc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO 585292534 KGAUJDZAELETDL-BZUAXINKSA-N 305.353 1.178 0 40 DDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1CCC(=O)NC1 70013476 YCXPNTANZVKZDK-ZYHUDNBSSA-N 310.781 1.811 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)C1=NN(C)C(=O)CC1 44889451 VTFJPLDWJKYMFL-UHFFFAOYSA-N 317.345 1.372 0 40 DDAB CC(C)CN(CC(N)=O)Cc1csc(-c2ncccn2)n1 51735896 QLJFBSJGWNFXDP-UHFFFAOYSA-N 305.407 1.543 0 40 DDAB COc1cccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 54994030 HESHSQSDDDFGAU-INIZCTEOSA-N 318.417 1.766 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@@H](CCO)C1CC1 76021637 BCOZOKFNBZOYNB-GJZGRUSLSA-N 321.421 1.877 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(CCn3nc(C)cc3C)CCO2)n1 76049551 YGJWINDFQMLHTO-AWEZNQCLSA-N 318.425 1.644 0 40 DDAB NC(=O)c1cccc(NC(=O)COCCOc2ccccc2)n1 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CN([C@@H]1CCN(c2ncnc3ccc(F)cc23)C1)S(C)(=O)=O 1888863912 DLODIDASASYKKW-LLVKDONJSA-N 324.381 1.239 0 40 DDAB Cc1cc(C)nc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888885454 JQCOPGQUDCZHTH-UHFFFAOYSA-N 324.392 1.097 0 40 DDAB CCN=c1cc(C)nc(N2CCN(Cc3ccccn3)CC2)[nH]1 1889114190 VMLDMONSINYQHR-UHFFFAOYSA-N 312.421 1.356 0 40 DDAB O=C(CNC(=O)c1ccc2[nH]nnc2c1)NCc1ccccc1 29471501 IEGXXSIEQCVTTR-UHFFFAOYSA-N 309.329 1.004 0 40 DDAB O=C(C1CC(O)C1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 1565554965 MERPOBMMNXEVSG-TZDAIYRESA-N 320.414 1.474 0 40 DDAB O=c1nc(SCc2ccccn2)c2c(n1CCO)CCCC2 10256700 CYAPAJARKHTFFC-UHFFFAOYSA-N 317.414 1.802 0 40 DDAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)c2cccnc2)C1 225624242 CNXCROLTJCCINP-AWEZNQCLSA-N 310.419 1.757 0 40 DDAB COc1cccc(C(=O)Nc2nc(CC(N)=O)cs2)c1OC 14331358 ZGNNXHMOQBSBRG-UHFFFAOYSA-N 321.358 1.440 0 40 DDAB O=C(Nc1cccnc1)c1cccc(CN2C(=O)CNC2=O)c1 25431393 OZUMTUCFRZRENC-UHFFFAOYSA-N 310.313 1.386 0 40 DDAB COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1N 114003054 VYNXIJBBRYKFMM-UHFFFAOYSA-N 318.465 1.802 0 40 DDAB COc1cc(N2C[C@@H](C(=O)N(C)C)CC2=O)cc(OC)c1OC 30806275 GZOMTJIDDZFZED-JTQLQIEISA-N 322.361 1.154 0 40 DDAB CCc1cc(NC[C@H](O)COc2ccccc2)n2ncnc2n1 51998574 AAJGNRWZTKYDRG-ZDUSSCGKSA-N 313.361 1.539 0 40 DDAB Cc1cccc(Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)c1 100559042 TUOHWSGPPNXMMY-UHFFFAOYSA-N 302.359 1.069 0 40 DDAB O=C1S/C(=C/c2cccnc2)C(=O)N1CN1CCOCC1 20311119 HSBCZSICGMTZIU-XYOKQWHBSA-N 305.359 1.408 0 40 DDAB C[C@@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)C[C@@H](C)O1 40486033 NUGZYKULGNKKKX-CHWSQXEVSA-N 317.389 1.366 0 40 DDAB CC1=NNC(=O)[C@H]1CCNC(=O)[C@@H](C)Oc1cccc(C)c1 101128361 AKMKEZKQNIKCNY-OCCSQVGLSA-N 303.362 1.391 0 40 DDAB COc1ccccc1CNc1c(NCc2ccccn2)c(=O)c1=O 101700632 USODEZRHGUXERI-UHFFFAOYSA-N 323.352 1.910 0 40 DDAB O=C(NC[C@@H](O)C(=O)OCc1ccccc1)C1[C@H]2CCC[C@H]12 101926987 FKWBRPPEODAQBR-MELADBBJSA-N 303.358 1.253 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCSC2CCCC2)C[C@@H](C)O1 32825873 OWJULBBMSFDDNR-TXEJJXNPSA-N 322.496 1.606 0 40 DDAB COc1ccc([C@H](NC(=O)Cn2cccnc2=O)C2CC2)cc1 33016278 RNLPLYRNPLYBRT-MRXNPFEDSA-N 313.357 1.519 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCC3)c1C 22191081 WOUYGZODWYIAAS-UHFFFAOYSA-N 301.350 1.302 0 40 DDAB CC(C)N1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O 22799712 AJEZQJKMYOBZNR-MRXNPFEDSA-N 315.417 1.340 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC[C@H]1COc2ccccc2O1 157847 TVXFXJPWGUZMBQ-NSHDSACASA-N 324.358 1.410 0 40 DDAB Cc1cc(=O)[nH]c2nnc(SCC(=O)c3ccc(F)cc3)n12 388802 WDJKREAYILYNAJ-UHFFFAOYSA-N 318.333 1.840 0 40 DDAB O=C(NC[C@@H]1CCCO1)NC1CCN(c2ccccn2)CC1 47594412 ZVAQGISSBHKHAT-AWEZNQCLSA-N 304.394 1.529 0 40 DDAB c1nc(NCc2ccc(CN3CCOCC3)cc2)c2nc[nH]c2n1 47509634 KECBAGJWYUZFSW-UHFFFAOYSA-N 324.388 1.797 0 40 DDAB CCn1nnc(NC(=S)NC(=O)c2ccc(C)cc2Cl)n1 557696 YFWRGZBQVRPIQE-UHFFFAOYSA-N 324.797 1.782 0 40 DDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCOCC1 12460431 NLLDRJYITLHMSP-UHFFFAOYSA-N 301.346 1.105 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 78788729 NNERSDHJCBFFGV-DLBZAZTESA-N 302.418 1.920 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1OCC 78841672 DDHJTRMLRKKLEQ-CYBMUJFWSA-N 320.389 1.835 0 40 DDAB CCOC(=O)C(Cc1cccc(C)c1)(NC(C)=O)C(=O)OCC 1571006 UQTRUCMAZMKNJF-UHFFFAOYSA-N 321.373 1.539 0 40 DDAB COc1ccc2c(c1)c(C(=O)Nc1nn[nH]n1)cn2C(C)C 79488709 QQIVNZPQYHGNJS-UHFFFAOYSA-N 300.322 1.996 0 40 DDAB CCOC(=O)CSc1nc2ccccc2c(=O)n1CCOC 4161559 KKTPTAOUXHWMID-UHFFFAOYSA-N 322.386 1.698 0 40 DDAB CC(=O)[C@H]1[C@@H](c2ccc(C)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 4162748 JQYMIOCQKZLHAF-LOWVWBTDSA-N 316.279 1.805 0 40 DDAB O=C(Nc1ccccn1)c1c(O)n2c3c(cccc3c1=O)CC2 1306779 KUJBCFFXLMTLAE-UHFFFAOYSA-N 307.309 1.911 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)c[nH]2)C[C@H](C)O1 25194842 PDTQCZNRUAOASM-IUCAKERBSA-N 300.742 1.461 0 40 DDAB CS(=O)(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 43419554 QQFHQXUMKBYRRA-UHFFFAOYSA-N 305.359 1.807 0 40 DDAB CCCCn1nnnc1SCC(=O)Nc1cccc(C)n1 4858039 FYMVZNRTRFUSHA-UHFFFAOYSA-N 306.395 1.907 0 40 DDAB COc1ccc(CC(=O)N[C@@]2(C(=O)O)CCSC2)cc1F 43508882 BUYBIFOPVRBZCQ-AWEZNQCLSA-N 313.350 1.453 0 40 DDAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1 6680268 OBTAJUYFZJZRHH-UHFFFAOYSA-N 311.388 1.646 0 40 DDAB CC(C)Cn1ncc2cc(C(=O)N3CCS(=O)CC3)cnc21 108276096 HSVQPYYSTWAGES-UHFFFAOYSA-N 320.418 1.292 0 40 DDAB Cc1cc(OCC(=O)N(C)Cc2nc3ccccc3[nH]2)no1 12544620 XSXXHSBZJUGVIO-UHFFFAOYSA-N 300.318 1.897 0 40 DDAB COC(=O)Cn1/c(=N/C(C)=O)sc2cc(NC(C)=O)ccc21 100876873 NGUCISMMMBPMNN-PEZBUJJGSA-N 321.358 1.281 0 40 DDAB Cc1cccc(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 57930161 DKESYGXIZJGIQS-LLVKDONJSA-N 322.352 1.910 0 40 DDAB CCOc1ccc(C(F)(F)F)cc1NCC(=O)NC(N)=O 58140321 NDXTXETYDMHFIA-UHFFFAOYSA-N 305.256 1.711 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCCCNC2=O)on1 44968106 KATDPDYENQAFED-NEPJUHHUSA-N 306.366 1.498 0 40 DDAB COCCNC(=O)N[C@H](c1ccccc1OC)c1nccn1C 44945407 JJJDHKGNTXIVTG-CQSZACIVSA-N 318.377 1.464 0 40 DDAB NC(=O)COc1ccc(CCNc2cc(Cl)nc(N)n2)cc1 44976334 BSLDDHVWWGSZLJ-UHFFFAOYSA-N 321.768 1.231 0 40 DDAB C[C@@H]1COCCN1C(=O)C1CCN(c2ccc(Cl)nn2)CC1 44912189 LDKUHBMSKWTBFF-LLVKDONJSA-N 324.812 1.594 0 40 DDAB Cc1noc([C@H](C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1 44947998 FUDJFGFXQIJWNT-QMMMGPOBSA-N 310.331 1.684 0 40 DDAB CCONC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 58394098 DHANNAPGLYOPSL-UHFFFAOYSA-N 300.380 1.235 0 40 DDAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCNC1=O 28191482 FEYUEUAFFBVEFP-JTQLQIEISA-N 316.386 1.971 0 40 DDAB c1cc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)ccn1 107745279 MDUDVXMBYWJNLD-ZACQAIPSSA-N 303.406 1.146 0 40 DDAB Cc1ccccc1C(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1 108533915 WOHIRBZUBABOKG-UHFFFAOYSA-N 322.430 1.539 0 40 DDAB Cn1cccc1/C=C1/SC(=S)N(N2CCOCC2)C1=O 2358069 MZYDYYQHBAUKOM-PKNBQFBNSA-N 309.416 1.474 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)NCc1ccco1 29318478 RZMMZGSNPANUMJ-UHFFFAOYSA-N 316.361 1.511 0 40 DDAB Cc1cccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccco4)[C@@H]3C2=O)c1 100355178 VCTMREXQUFBLPG-WFASDCNBSA-N 324.292 1.715 0 40 DDAB Cc1cc(NC(=O)COn2nnc3ccc(Cl)cc32)no1 2645388 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C[C@H](O)c1cn(CC(=O)NCCCc2cccc(F)c2)nn1 84667454 ISFBDEZXTVCLTM-NSHDSACASA-N 306.341 1.220 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 6011618 VYSMYMKBRUQNEE-DDXVTDLHSA-N 309.293 1.815 0 40 DDAB CCc1ncc(C(=O)NCCNC(=O)c2ccccc2)s1 65052445 RBZVNBVWMJCVBE-UHFFFAOYSA-N 303.387 1.865 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)c1cccc(F)c1 65512387 DEFHFOWBJKPKQL-OAHLLOKOSA-N 306.385 1.757 0 40 DDAB O=C1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1CC1CC1 65608596 FWMFCCCRMXGCPV-GJZGRUSLSA-N 316.405 1.305 0 40 DDAB O=C(NC[C@@H](O)CO)OCC1c2ccccc2-c2ccccc21 6535791 NNCJPXRPGPIUPM-GFCCVEGCSA-N 313.353 1.878 0 40 DDAB Cc1cc(C)n(Cc2cccc(NC(=O)[C@H](C)NC(N)=O)c2)n1 66426955 QKWVOGWMZWNJKE-LBPRGKRZSA-N 315.377 1.544 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 71799305 DNAAYJOPBMEJTK-HNNXBMFYSA-N 302.378 1.809 0 40 DDAB CCN(CC)C(=O)CN(C)CC(=O)Nc1ccc(C)c(F)c1 15484741 OHALMPYNGXBBRW-UHFFFAOYSA-N 309.385 1.873 0 40 DDAB CCCCOCCCNC(=O)COCC(=O)Nc1ccccc1 19822980 VXICIHRAVMAUDX-UHFFFAOYSA-N 322.405 1.965 0 40 DDAB C[C@H](CC(=O)N1CCc2nnc(N(C)C)cc2C1)n1cccc1 71871668 ARLLXNRNWJDYGU-CYBMUJFWSA-N 313.405 1.880 0 40 DDAB COc1ccc(CNC(=O)COc2cc(C)c(C)nn2)cc1 71883961 PJLBYNDGKSUVCM-UHFFFAOYSA-N 301.346 1.797 0 40 DDAB CC1(C)CN(C(=O)Cc2csc(N3CCCC3=O)n2)CCO1 71843107 RIIUBPFLJQIANE-UHFFFAOYSA-N 323.418 1.450 0 40 DDAB O=C(NS(=O)(=O)N1CCc2sccc2C1)c1ccco1 71859315 PRQCPWBXYPAKRC-UHFFFAOYSA-N 312.372 1.374 0 40 DDAB CCOC(=O)CCN(C)C(=O)c1ccc2c(c1)nc(C)n2C 71849923 SXRRPUYMJZTKHV-UHFFFAOYSA-N 303.362 1.907 0 40 DDAB COc1cc2c(cc1CNC(=O)Cc1cc(C)[nH]n1)O[C@@H](C)C2 95431016 WWXFTBZAQYUEPU-NSHDSACASA-N 315.373 1.909 0 40 DDAB COC(=O)c1cccn1C1CCN(C(=O)[C@@H]2CCCO2)CC1 83897501 RJGZJOCYVCFCTP-AWEZNQCLSA-N 306.362 1.617 0 40 DDAB CS(=O)(=O)NCC(=O)Nc1cccc(-c2ccsc2)c1 69452787 VYLLIMKZJPXYDK-UHFFFAOYSA-N 310.400 1.903 0 40 DDAB O=C1OCCN1CCSc1nccn1Cc1ccccn1 71903268 MRNVYYRPYJQPJP-UHFFFAOYSA-N 304.375 1.871 0 40 DDAB O=[S@@](CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 69528263 JRZMMLVXWCKWRV-OYHNWAKOSA-N 319.430 1.392 0 40 DDAB Cc1nnc(SCCOc2cccc(F)c2)n1CC(N)=O 69600734 JDGOWPYAWCQFLW-UHFFFAOYSA-N 310.354 1.382 0 40 DDAB CCc1nc(CN2CCN(C[C@H](O)c3ccccc3)CC2)no1 69627529 OIUNJWOZBSJPQG-HNNXBMFYSA-N 316.405 1.483 0 40 DDAB c1cnnc(N2CCC[C@H](NCc3noc(C4CC4)n3)C2)c1 69738903 IZXVDOSQJBBCHA-LBPRGKRZSA-N 300.366 1.496 0 40 DDAB O=C(CN[C@@H]1CCc2ncnn2C1)N(C1=CCCCC1)C1CC1 69707491 NMIHQCDIBLDMKL-CYBMUJFWSA-N 315.421 1.631 0 40 DDAB C[C@@H](Cn1cccn1)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69771563 QKYCLBRWVHOZOT-LSDHHAIUSA-N 322.453 1.070 0 40 DDAB O=C(NCc1ccco1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 95976595 NPDFQCZTMNWXNB-HZPDHXFCSA-N 306.406 1.911 0 40 DDAB Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 9088470 UZSAQMITNLOFBA-JTQLQIEISA-N 323.715 1.901 0 40 DDAB CCC[C@@](C)(NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)O 97990800 TWMBYIHDDRDAQO-LLVKDONJSA-N 323.802 1.304 0 40 DDAB COC(=O)c1sccc1Cn1c(-c2cccnc2)noc1=O 88499880 BCYZDZYWFXSJPF-UHFFFAOYSA-N 317.326 1.795 0 40 DDAB CC(=O)c1cccc(NC(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1 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307.375 1.182 0 40 DDAB COc1ncccc1C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 225422289 NWNZLOIIQRJLDK-LBPRGKRZSA-N 314.345 1.482 0 40 DDAB C[Sn]1(C)OC(=O)c2ccccc2C(=O)O1 196000130 OTOOQMRNXFJAGS-UHFFFAOYSA-L 312.897 1.716 0 40 DDAB CC(=O)Nc1cccc(NC(=O)CCN2C(=O)CCC2=O)c1 198348138 PTJYRCYUXLNAGN-UHFFFAOYSA-N 303.318 1.123 0 40 DDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96072635 YDBQQEIMGZHBSM-FUHWJXTLSA-N 324.384 1.962 0 40 DDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)nn1 96043310 FYBMGPMZDICXFN-HZSPNIEDSA-N 304.394 1.105 0 40 DDAB CO[C@@H]1CCN(C(=O)C2CC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108581 RFVFEZFVGJGKGZ-GVDBMIGSSA-N 315.417 1.539 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccccc1CC(=O)O 237722162 WQYOQYQNHVGZBI-UHFFFAOYSA-N 317.345 1.682 0 40 DDAB Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)o1 96217271 XDKPPTJDYMMWPN-CWRNSKLLSA-N 304.390 1.800 0 40 DDAB CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3ccccc3)C[C@@H]12 96065263 JQALKOGSIGIFNP-ZACQAIPSSA-N 302.418 1.859 0 40 DDAB CC[C@H](C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 230213525 AAZKJJBFTWUBOI-BPUTZDHNSA-N 318.417 1.558 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(Cc4cccnc4)C3)C2=O)cn1 96050530 VDYZOUXXDIFNRF-QGZVFWFLSA-N 311.389 1.444 0 40 DDAB CSCC[C@H](C)NC(=O)N1CCN(Cc2ccon2)CC1 96440501 LYAOKBRIQZQVQS-LBPRGKRZSA-N 312.439 1.643 0 40 DDAB Cc1noc(C)c1CN1CC[C@H](N2CCCC2)C[C@@H]1C(=O)O 96069009 KMVILEHQMGKYTH-DZGCQCFKSA-N 307.394 1.805 0 40 DDAB COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 96044756 PQZKKFDAICGNJQ-ZDUSSCGKSA-N 315.373 1.895 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 96461697 VWXQXSXKMGSAIA-CMPLNLGQSA-N 314.382 1.079 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 96226918 ISAFPVYYHTXCGD-WMLDXEAASA-N 314.389 1.948 0 40 DDAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)n1 257322984 WIHMBCFWBCRWAO-HNNXBMFYSA-N 312.373 1.769 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)COc3ccccc3)CCO2)n1 257221400 DOXINNLBHYQPFB-HNNXBMFYSA-N 315.373 1.707 0 40 DDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(N)nc(C)n1 257330839 XQGCGODXEPJHMI-GFCCVEGCSA-N 313.427 1.091 0 40 DDAB C[C@@]1(c2ncc(CNC(=O)c3ncccn3)cn2)CCCCO1 257209785 BRWOPYKLAZPODP-INIZCTEOSA-N 313.361 1.612 0 40 DDAB Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)no1 257297814 RIWXGEMLQUIKFU-INIZCTEOSA-N 316.361 1.139 0 40 DDAB Cc1cc(O)n(C(=N)NS(=O)(=O)c2ccc(Cl)cc2)n1 255190842 ZXGADSPDPYBDEJ-UHFFFAOYSA-N 314.754 1.312 0 40 DDAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2cccnc2)C3)nc1 253602542 PPULXMPSDDUWQO-HNNXBMFYSA-N 312.373 1.684 0 40 DDAB Cc1cccc2nc(C(=O)N3CC[C@@]4(CCCO4)[C@@H](O)C3)cn12 257336158 YNKZDCKWMNDDMS-YOEHRIQHSA-N 315.373 1.399 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 257300497 RUNPUCOXAZPOTI-UHFFFAOYSA-N 321.406 1.081 0 40 DDAB Cc1cccc(C[C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 257254312 KCNVTIHTLVLFBD-ZDUSSCGKSA-N 320.418 1.757 0 40 DDAB Cc1cnn(CC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)c1 257280734 OMCXSACSSBVDRX-AWEZNQCLSA-N 315.377 1.540 0 40 DDAB Cc1ccc(C2(C(=O)Nc3ncn(CC(=O)O)n3)CCC2)cc1 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C[C@H](O)CN1CCC(CNCCC(=O)NC2CCCC2)CC1 75602859 YABNYXMHQSDRLP-AWEZNQCLSA-N 311.470 1.118 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1CCN1CCCc2ccccc21 90552418 AJZPMNNIGMZZKW-HOCLYGCPSA-N 304.390 1.047 0 40 DDAB CO[C@]1(C)C[C@@H](N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1(C)C 97212712 XJJCOSZJNMIIAZ-PBFPGSCMSA-N 320.437 1.709 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)CCO1 91292873 UIWSJLLYTDMWEU-VIFPVBQESA-N 301.701 1.795 0 40 DDAB Cc1nnc(O)nc1SCC(=O)N[C@H](C)c1ccccc1 11990607 QNGNVDJGPIYLIZ-SECBINFHSA-N 304.375 1.855 0 40 DDAB C[C@]1(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)CCCO1 12197275 ZGHLRBUZOJBXSS-OAHLLOKOSA-N 301.350 1.095 0 40 DDAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nn1cnnc1 14406060 PLIDDVKTWPFHFC-BQYQJAHWSA-N 323.312 1.907 0 40 DDAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 18043279 PYZSZRYMHULCTF-BKUVIOGVSA-N 320.142 1.892 0 40 DDAB C[C@]1(c2cccs2)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O 158045813 OBOJWHWGVOAJNS-LHLIQPBNSA-N 308.281 1.438 0 40 DDAB OC[C@@H]1C[C@H](O)CN1c1ncnc2sc3c(c12)CCCC3 108143732 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NC(=O)N[C@@H](CC(=O)Nc1ccncc1)c1ccccc1F 40514012 RZUDPJAMLXYOJX-ZDUSSCGKSA-N 302.309 1.959 0 40 DDAB COC(=O)c1cn(-c2ccc(NC(=O)c3cnccn3)cc2)nn1 32028448 CHGBAKFOAMMHAU-UHFFFAOYSA-N 324.300 1.096 0 40 DDAB CC[C@H](C)n1[nH]cc/c1=N\C(=O)[C@@H](C)OC(=O)C1=COCCO1 102281204 PCRPRTALUZZHPK-HKLAFJFVSA-N 323.349 1.034 0 40 DDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 32611388 YWBWNBKREUZLDG-UHFFFAOYSA-N 312.417 1.936 0 40 DDAB Cc1noc([C@@H](C)N2CCN(C(=O)c3ccccn3)CC2)n1 32804101 MXAXMIOKISEXDB-LLVKDONJSA-N 301.350 1.292 0 40 DDAB COc1ccc(C)cc1NC(=O)CN1C(=O)NC(C)(C)C1=O 32910388 URKZBSJGBYNGNJ-UHFFFAOYSA-N 305.334 1.273 0 40 DDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCc1ccccc1 53048155 KSMKSGYBECQVPW-GFCCVEGCSA-N 300.410 1.755 0 40 DDAB O[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1N1CCOCC1 22926690 CCWMQBPKADSHKN-GJZGRUSLSA-N 314.788 1.356 0 40 DDAB Cn1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)n1 23055146 DFYGGFIHBLIOLF-UHFFFAOYSA-N 322.315 1.847 0 40 DDAB COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O 23135516 MAXDFZXDQORXFY-UHFFFAOYSA-N 306.749 1.977 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(F)c1 569502 YFPGPZNOHWREIS-UHFFFAOYSA-N 308.342 1.349 0 40 DDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71287106 QWUIFOKBXKBJLT-NWDGAFQWSA-N 320.345 1.350 0 40 DDAB CC(=O)O[C@@]12C(C)=C(C)C(=O)N1c1ccccc1N2C(C)=O 1620040 RVRUFZVVXDPBIT-MRXNPFEDSA-N 300.314 1.953 0 40 DDAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNCCO)CCCC1 3648906 ATBXYYNZJKVOEA-CQSZACIVSA-N 302.418 1.771 0 40 DDAB CCCn1nc(C(=O)NC[C@@H](C)CN2CCCC2)ccc1=O 55538438 XVYNFEHJVFCOQN-CYBMUJFWSA-N 306.410 1.115 0 40 DDAB c1ccc(-n2nnnc2N2CCN(Cc3ccncc3)CC2)cc1 55530485 NAIQCXQYRSOJBS-UHFFFAOYSA-N 321.388 1.380 0 40 DDAB C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc[nH]c1=O 55698790 SEHUVMRQRQONQC-SECBINFHSA-N 308.284 1.850 0 40 DDAB O=C(NC1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(F)cc1 25211015 KHHXRZIWZDDJGW-HNNXBMFYSA-N 320.364 1.726 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccccc1OC(F)(F)F 25242785 RRCUKHKYGBWVIK-QMMMGPOBSA-N 319.283 1.600 0 40 DDAB C[C@H]1NC(=O)N(C)[C@H]2N=C(O)N(C)[C@@H](c3cccc(O)c3)[C@@H]12 6266445 OYYQTTDHEHANDY-WRSRJMLGSA-N 304.350 1.279 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC)c(C)s1 6680122 WPHLEQITGSFNCJ-QMMMGPOBSA-N 304.437 1.883 0 40 DDAB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC(N)=O)cc1 6953574 LMPVUPJPBFEXJJ-LUAWRHEFSA-N 310.313 1.588 0 40 DDAB CONC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 12521367 JVVGVQNMAFNQFM-UHFFFAOYSA-N 312.372 1.840 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN([C@H](C)c3ccncc3)C2)C1=O 107322932 LIPRNFWYMRHJPE-MLGOLLRUSA-N 302.378 1.547 0 40 DDAB Cc1cc(NC(=O)N2CCN(Cc3cscn3)CC2)no1 56503061 WIJSDGIOBPADAH-UHFFFAOYSA-N 307.379 1.789 0 40 DDAB Cc1ccc(S(=O)(=O)NN2C(=O)c3ccccc3C2=O)cc1 1715963 SSGMBEOQOOLDCZ-UHFFFAOYSA-N 316.338 1.485 0 40 DDAB CCOCCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1 57711643 VRMIYCFHQWEJDG-UHFFFAOYSA-N 323.412 1.491 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)N(C)C 27566192 JLTOQLOPBZISPY-OAHLLOKOSA-N 317.389 1.380 0 40 DDAB CCc1ccccc1OCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C 58265071 CLOWLGLJGYBLLS-TZMCWYRMSA-N 304.390 1.740 0 40 DDAB CCC(C)(C)NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O 58294649 FUYDVRQLFKOGJI-UHFFFAOYSA-N 324.402 1.277 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C 44945145 VLSCBYJDJQBOCF-JTQLQIEISA-N 319.283 1.493 0 40 DDAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc[n+]([O-])c1 10901044 YYIKPPJERKOCOM-UHFFFAOYSA-N 311.341 1.599 0 40 DDAB O=C1[C@H]2[C@H]3C(=O)[C@@]4(Br)[C@H]2[C@@H]2[C@H]4[C@@H]3[C@@]12Br 104107252 BPIHMPOUHNUKRN-RSLNZPHYSA-N 317.964 1.157 0 40 DDAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)Cc1cccc(O)c1 97376613 SIHSCLGGIRRWEW-SFHVURJKSA-N 324.380 1.943 0 40 DDAB CCNC(=O)NC(=O)CSc1nc2ccccc2nc1C 29282174 QXUKZIUDCRMLEN-UHFFFAOYSA-N 304.375 1.876 0 40 DDAB CCCCc1noc(CN2C(=O)c3ccccc3S2(=O)=O)n1 29465481 JPSRBWSQSXRDLL-UHFFFAOYSA-N 321.358 1.757 0 40 DDAB O=C(NOCc1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 29855391 KUCDTEGVFSDAOQ-OAHLLOKOSA-N 312.373 1.941 0 40 DDAB C[C@H]1CN(C(=O)NCc2nncn2-c2ccccc2)C[C@H](C)O1 46966401 UATYGVYRNUNIEO-STQMWFEESA-N 315.377 1.586 0 40 DDAB Cc1cc(C)c(NC(=O)CNC(=O)c2cccc[n+]2[O-])c(C)c1 47271896 FHCDEUKYKABSOP-UHFFFAOYSA-N 313.357 1.614 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccccn2)no1 12322526 ZXEAUCPZPJLTKE-ZDUSSCGKSA-N 310.313 1.595 0 40 DDAB COC(=O)[C@H]1C2[C@H]3[C@H]4C([C@H]1C(=O)OC)[C@@H]1[C@@H]2C32CCCCC412 101043748 MZDFFTSHVCXPIB-FOQJSOTLSA-N 302.370 1.877 0 40 DDAB Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)no1 9134959 WKXIJYKJOBVJES-UHFFFAOYSA-N 312.329 1.762 0 40 DDAB Oc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1 3304185 JQDSLNDHKJBOOI-UHFFFAOYSA-N 322.372 1.695 0 40 DDAB COc1cc(Cl)c(C)cc1NC(=O)Cn1ccc(=O)[nH]c1=O 12989183 IQDXKHQBYIELLY-UHFFFAOYSA-N 323.736 1.146 0 40 DDAB COCCN1CCS(=O)(=O)c2c(Cl)c(F)nc(F)c21 13690031 OBKCLBYDHDTIAI-UHFFFAOYSA-N 312.725 1.253 0 40 DDAB CN1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 49993060 JISAQFLGTXJOKW-JKSUJKDBSA-N 321.852 1.807 0 40 DDAB CC(=O)Nc1nc(CN2CCn3c(nc(C)c3C)C2)cs1 65475342 DIOKOJNGFAXRMS-UHFFFAOYSA-N 305.407 1.931 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CCO1 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O=C1CCCN1C[C@@H](O)CNc1ncnc2cccc(F)c12 71841015 GWSFTWIROROOOY-JTQLQIEISA-N 304.325 1.164 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cccc(C(N)=O)c1 71880433 XSDCCDFYTVVQER-IRXDYDNUSA-N 315.417 1.761 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H](c2ccccc2)O1 71827194 XQEPPXHBJCBDHU-BMFZPTHFSA-N 316.401 1.843 0 40 DDAB O=c1c2cccnc2cnn1C[C@H](O)c1ccc(F)c(F)c1 71921024 CZKFKMOFCPVZDK-AWEZNQCLSA-N 303.268 1.803 0 40 DDAB Cc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)no1 8230843 POOINQCWRFIWBJ-UHFFFAOYSA-N 315.329 1.893 0 40 DDAB O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@@H](n2ccnc2)C1 70019339 IPHNQECFTGNNME-OAHLLOKOSA-N 322.372 1.941 0 40 DDAB Cc1ncsc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69454041 ZPOIINSWQHSDRB-UHFFFAOYSA-N 319.434 1.533 0 40 DDAB COCCn1ccc(NC(=O)CN2CCc3sccc3C2)n1 69511635 QUWKHNARJBZWLJ-UHFFFAOYSA-N 320.418 1.588 0 40 DDAB Cc1nccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n1 69512140 PEABPALSWCCMCF-INIZCTEOSA-N 324.384 1.405 0 40 DDAB Cc1ccoc1-c1nnc(CN2CCC[C@@H]2Cn2cncn2)o1 69601489 HZRRAHVEKLVOJY-GFCCVEGCSA-N 314.349 1.894 0 40 DDAB O=C(CN1CCCNCC1)Nc1cccc(C(F)(F)F)c1 61268828 UAQAIDGTZJDBDT-UHFFFAOYSA-N 301.312 1.939 0 40 DDAB CCN1CCN(C2CCN(Cc3cnc(C)cn3)CC2)C1=O 69894555 FYRHDSQMZGBSJA-UHFFFAOYSA-N 303.410 1.507 0 40 DDAB CN1C[C@H](C(=O)N2CCC[C@H](CN3CCCCCC3)C2)CC1=O 69980554 QOVPFVFVCZURNA-HZPDHXFCSA-N 321.465 1.579 0 40 DDAB COCCN1C(=O)C[C@@H](Nc2ccc(OC)c(Cl)c2)C1=O 8937607 RSGFPUZUNNLHAD-LLVKDONJSA-N 312.753 1.534 0 40 DDAB Cc1ccccc1CNC(=O)Cn1nnn(-c2ccccc2)c1=O 8940796 DLFLAKSHKPLNGX-UHFFFAOYSA-N 323.356 1.054 0 40 DDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC1CCC(O)CC1 8922770 ROBOBLRCNUSSJT-UHFFFAOYSA-N 324.808 1.880 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCc2ccccc2[C@H]1CO 97097687 GKUPDXBJBPBAMH-QGZVFWFLSA-N 313.401 1.698 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)Nc2cc(C)no2)no1 72279324 BNKQQUUGBUDSID-SNVBAGLBSA-N 305.338 1.704 0 40 DDAB COc1ccc(CNC(=O)c2cc(C)nc(N(C)C)n2)cc1 72241200 WGSMSIQJFLJXGK-UHFFFAOYSA-N 300.362 1.790 0 40 DDAB COc1ccc(OCCN(C)C(=O)c2ccc(C)[nH]c2=O)cc1 75118566 OULZBNOBKKPJCJ-UHFFFAOYSA-N 316.357 1.843 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCCn2cccn2)c(=O)[nH]1 75111225 RMNBVFVTRSQSBW-UHFFFAOYSA-N 303.366 1.078 0 40 DDAB Nc1nc(N)nc(CSCc2ccn(-c3ccccc3)n2)n1 89857626 FGBZGAWWSVPWCH-UHFFFAOYSA-N 313.390 1.655 0 40 DDAB O=C(Nc1c[nH]cc(Br)c1=O)c1cncc(F)c1 89991324 YLHYTSSVNOEOIM-UHFFFAOYSA-N 312.098 1.924 0 40 DDAB Cn1cc(Br)cc1C(=O)NCc1ccc(=O)[nH]c1 76066112 UAILMDPVDSPJMY-UHFFFAOYSA-N 310.151 1.406 0 40 DDAB C[C@H](NC(=O)[C@H]1CSCN1)c1cn(-c2ccccc2)nn1 122639632 OVGIRPQCLYODPN-GXFFZTMASA-N 303.391 1.107 0 40 DDAB CC(C)C(=O)N1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 72395813 JSZFVUHHOUJTPO-KDOFPFPSSA-N 314.385 1.828 0 40 DDAB CCNC(=O)C1CN(C(=O)Cc2cccc(Cl)c2OCC)C1 188956567 URNWDHDAQAOPMS-UHFFFAOYSA-N 324.808 1.876 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 75433426 SJCSCXMIGWNQSL-MRVPVSSYSA-N 300.405 1.677 0 40 DDAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218039184 CDUKAWAUSBSEPE-JYJNAYRXSA-N 303.383 1.316 0 40 DDAB COc1ccc([C@@]2(Cc3ccc(F)cc3)NC(N)=NC2=O)cc1 71974414 DQYYCIRDMFBPBG-QGZVFWFLSA-N 313.332 1.717 0 40 DDAB CNC(=O)c1c(C)cccc1NC(=O)c1cnn2ccc(C)nc12 79309567 FNNDBXUIYMDSKW-UHFFFAOYSA-N 323.356 1.958 0 40 DDAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2nccnc2N)CC1 49999520 ROJQQKVJZHYCJI-UHFFFAOYSA-N 321.381 1.188 0 40 DDAB COc1ccc(F)cc1-c1cnc(N2CCNC(=O)CC2)nc1 527586815 JUXPTXGRQFXAAE-UHFFFAOYSA-N 316.336 1.618 0 40 DDAB O=C(O)CCN(C(=O)c1cnn2ccccc12)C1CCOCC1 571590897 OMXCZQGIMGZZDY-UHFFFAOYSA-N 317.345 1.430 0 40 DDAB CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1nc(C)c(C)s1 329835612 LMDYWBVYNCFDQY-GFCCVEGCSA-N 317.480 1.865 0 40 DDAB Cc1ccc(C)c(CS(=O)(=O)NC(=O)c2cccnc2)c1 195580521 KGFOSLBIZJQWBT-UHFFFAOYSA-N 304.371 1.958 0 40 DDAB Cc1ocnc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 96485631 YQLUTLVTCOLWOI-AWEZNQCLSA-N 313.357 1.904 0 40 DDAB Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H](C)CO2)c1 96426744 JIEHDYDSFPJHRP-IMJJTQAJSA-N 316.401 1.870 0 40 DDAB CN(C)C(=O)N1CCC2(CC[C@H]2NC(=O)c2cnccn2)CC1 96051541 XBAXBFWUGDIMFG-CYBMUJFWSA-N 317.393 1.133 0 40 DDAB O=C(NCc1nnc2ccccn12)N1CCN2CCCC[C@@H]2C1 96404177 MENOJMRURDDVTB-CYBMUJFWSA-N 314.393 1.109 0 40 DDAB CCn1cc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cn1 96101475 KJILDVDCRBOKQN-GFCCVEGCSA-N 304.394 1.705 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccco1)CCC2 96059559 FYUTWIWHWKHRFQ-UHFFFAOYSA-N 302.378 1.304 0 40 DDAB COCCN1CC[C@]2(COCCN(Cc3ccc(C)o3)C2)C1 96062300 HJMMONFYOGBKGD-KRWDZBQOSA-N 308.422 1.759 0 40 DDAB CCOCCNS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 96427742 NZIOKUBVLPQXIR-UHFFFAOYSA-N 313.206 1.890 0 40 DDAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21 96182900 RVCBTZQIAIRKDW-UHFFFAOYSA-N 324.402 1.327 0 40 DDAB O=C(N[C@H](c1ccc(Cl)cc1)c1ncon1)[C@@H]1CCOC1 95445538 HEPMQYJUWFPBEX-ZYHUDNBSSA-N 307.737 1.965 0 40 DDAB CN1CC[C@H](NC(=O)Nc2ccc(F)c(-n3cccc3)c2)C1=O 96415996 NMTOIYUQADENNI-ZDUSSCGKSA-N 316.336 1.969 0 40 DDAB Cc1ncsc1CN1Cc2ccnn2[C@@H](CC(=O)N(C)C)C1 247973544 IAFXXZICGIAOTC-ZDUSSCGKSA-N 319.434 1.683 0 40 DDAB O=C(NCCn1cc(-c2ccccc2)cn1)N1CCOCC1 244986198 JJXBBSVIGBQDAC-UHFFFAOYSA-N 300.362 1.592 0 40 DDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 245339458 SZTZGIGSAZCYJV-AEGPPILISA-N 324.446 1.452 0 40 DDAB Cc1ccc(C2=NO[C@@H](CNS(=O)(=O)C3CC3)C2)cc1C 252503345 VBTYQMWPQRZEHM-CYBMUJFWSA-N 308.403 1.878 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cnc3ccccc3c2)CCO1 257279679 OHSCQCUMNLMHHV-QGZVFWFLSA-N 313.357 1.212 0 40 DDAB Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 257247961 JBJDQUMYLADRAD-NSHDSACASA-N 309.395 1.020 0 40 DDAB Cc1nccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)n1 257230230 GBJNCBJWOZYTNA-FVQBIDKESA-N 318.421 1.283 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257205767 BAMLXUDWQZXNOX-CQSZACIVSA-N 319.405 1.649 0 40 DDAB Cc1ncsc1C(=O)N1CCO[C@@H](CCc2ccncn2)C1 257277649 NYVOTQUYMCAUMW-ZDUSSCGKSA-N 318.402 1.715 0 40 DDAB COCCC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257210963 BWWUSYWVKGYEPR-UHFFFAOYSA-N 304.350 1.177 0 40 DDAB Cc1nnc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)s1 271464328 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COCCN(CCC(=O)OC)C(=O)[C@@H](C)n1nc(C)cc1C 78681334 OKXNONXCEZBBBU-CYBMUJFWSA-N 311.382 1.099 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1csc(CCCO)n1 95967071 ZKBUBKLDDJHALE-UHFFFAOYSA-N 302.355 1.864 0 40 DDAB Cc1ccnc(N2CC(Cn3cc(Br)cn3)C2)n1 1889081515 OQDZXWLNWOMVES-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB CO[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](CN2C(C)=O)O1 5493114 CREDLTBHVJDDDE-BYNSBNAKSA-N 305.330 1.204 0 40 DDAB O=C1NC(=O)C(CCC(=O)c2ccc3ccccc3c2)C(=O)N1 5824132 PFVXZBCVUKDZPF-UHFFFAOYSA-N 310.309 1.785 0 40 DDAB CC(C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 12220218 KFGHFPOAEAIBMN-CYBMUJFWSA-N 321.421 1.615 0 40 DDAB O=C(NCc1cc[nH]n1)C(=O)N1CCc2c(Cl)cccc21 532310366 MNJVNHKBVTWVDE-UHFFFAOYSA-N 304.737 1.269 0 40 DDAB Cc1cccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1C 11535533 GVECLCLFOUOUJU-UHFFFAOYSA-N 304.375 1.700 0 40 DDAB CN1C[C@H](CN2CCC(Oc3ncc(Cl)cn3)CC2)CC1=O 1888834601 UMCJQVTUPQCPGU-LLVKDONJSA-N 324.812 1.452 0 40 DDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C(C)C)C[C@@H]4C3)n1)CCC2 1888844523 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2298047668 BIOPVRUJRMMZQT-UHFFFAOYSA-N 313.405 1.853 0 40 DDAB O=C(NCCc1ccccc1)C(=O)NCC[C@@H](O)c1ccco1 77112133 RURGNBIRHMRNGQ-CQSZACIVSA-N 316.357 1.178 0 40 DDAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 50722138 SVPDNFWWMRBVIE-CYBMUJFWSA-N 314.389 1.713 0 40 DDAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cnn(C)c1 20602068 PVIKJILAIVXANF-UHFFFAOYSA-N 317.802 1.111 0 40 DDAB CCn1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)c(C)n1 20606584 RLRZSHNXBLMYJR-LBPRGKRZSA-N 302.338 1.265 0 40 DDAB Cc1ccn2c(=O)cc(COc3ccccc3C(N)=O)nc2c1 32957721 LGBUACHGHMZDDC-UHFFFAOYSA-N 309.325 1.681 0 40 DDAB NC(=O)c1cccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 52835426 TUEMJCHRCTVNSM-QGZVFWFLSA-N 323.396 1.849 0 40 DDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 556155 GQXHITYRCGIMGV-NEPJUHHUSA-N 312.366 1.178 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)NCCCN1CCCC1=O 22625407 RNXFPIAJAYQHSK-UHFFFAOYSA-N 318.373 1.129 0 40 DDAB COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 23101842 AQHCNVLCTGVRMY-CQSZACIVSA-N 312.325 1.488 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCCCC1 33827066 ZJWZKMYVMADGCM-ZDUSSCGKSA-N 310.419 1.756 0 40 DDAB CCN(CC)C(=O)CSc1nnnn1-c1ccc(OC)cc1 419668 AIXGLMGNZFNEOT-UHFFFAOYSA-N 321.406 1.631 0 40 DDAB CCN(C[C@@H]1CN(Cc2ccon2)CCO1)c1cccnn1 84774667 VPPHJUGFTYXAQC-AWEZNQCLSA-N 303.366 1.192 0 40 DDAB O=C(CS(=O)(=O)c1ccccn1)NCCc1ccccc1 47620228 XVOFMWQZSMMYSK-UHFFFAOYSA-N 304.371 1.214 0 40 DDAB CC(C)(C)NC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 24258406 MPYMWMANFAPYKQ-UHFFFAOYSA-N 318.377 1.179 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CCO1 47797949 GTEAAZMLPDYAQQ-DZGCQCFKSA-N 308.422 1.805 0 40 DDAB Cc1cc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c(C)o1 78901389 FFVRGKQZQSWKJZ-NSHDSACASA-N 316.361 1.738 0 40 DDAB COc1ccc(Cc2cc3c(cc2OCC(N)=O)OCO3)cc1 1581556 QENFIUGHIRTYAN-UHFFFAOYSA-N 315.325 1.879 0 40 DDAB CCOC(=O)Nc1ccc(NC(=O)NCCc2nc[nH]n2)cc1 79105265 CRQKHKAFEWKCKO-UHFFFAOYSA-N 318.337 1.737 0 40 DDAB Cc1nn(C)c(C)c1CN1CCN(CC(=O)OC(C)(C)C)CC1 105916651 AYLWCIFIBZMFRG-UHFFFAOYSA-N 322.453 1.496 0 40 DDAB C[C@H](CNS(=O)(=O)c1ccccc1)Sc1ncccn1 3286640 DVYLVWLGTWMUPY-LLVKDONJSA-N 309.416 1.936 0 40 DDAB Cc1occc1C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 55210759 KJFQYEQZRKPXTF-NSHDSACASA-N 305.378 1.013 0 40 DDAB CC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1 4338291 VTPRYGDEDOBPGF-UHFFFAOYSA-N 315.308 1.470 0 40 DDAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCn1cncn1 56173807 YMJTYQLHTGCPAV-UHFFFAOYSA-N 315.377 1.835 0 40 DDAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N)C2)cc1 84747622 BUSAGCDVARGIMP-CYBMUJFWSA-N 310.419 1.432 0 40 DDAB CN(C)[C@H](CNC(=O)/C=C/c1cnn(C)c1)c1ccsc1 25812942 DPXDCDYOPXYKRR-ISZGNANSSA-N 304.419 1.914 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(C[C@H]3CCOC3)C2)C1=O 107505691 GGWADVBAWNTOCG-CKEIUWERSA-N 323.437 1.454 0 40 DDAB COc1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1F 44175368 KMNTXSYKKQQPAU-CQSZACIVSA-N 310.350 1.762 0 40 DDAB COCCOc1cccc(C(=O)N[C@@H]2CCc3nccn3C2)c1 72278539 HAQSJOCTORICOC-CQSZACIVSA-N 315.373 1.653 0 40 DDAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCCS(C)(=O)=O 72268659 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O=C(CSCC(=O)Nc1nccs1)Nc1nccs1 59383502 PDEQHQUYEFMQSA-UHFFFAOYSA-N 314.417 1.910 0 40 DDAB Cc1cc(=O)n(S(=O)(=O)c2ccccc2)c2nn(C)cc12 36619577 JKXMAECIUHHTEF-UHFFFAOYSA-N 303.343 1.280 0 40 DDAB O=C1COc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2N1 29010036 NGVCZDQOULFRBJ-QWRGUYRKSA-N 316.313 1.623 0 40 DDAB C[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H]1CCCCNC1=O 46054619 WWVXQEBQDWSFKC-DGCLKSJQSA-N 321.446 1.452 0 40 DDAB COC[C@@H]1CN(C(=O)[C@@]2(N(C)C)CCc3ccccc32)CCO1 95401343 JTQWMYYNVGZZNY-MAUKXSAKSA-N 318.417 1.264 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1cccc(Cl)c1 48300928 PTGMEMYUVMXHFF-BXUZGUMPSA-N 322.796 1.958 0 40 DDAB CCOC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 48342171 ZDPYDDGEUUKQHY-UHFFFAOYSA-N 317.311 1.786 0 40 DDAB Cc1cc(N[C@H]2CCc3ncnn3C2)nc(-c2cccnc2)n1 171545143 ZFJQBERJYXDYDG-ZDUSSCGKSA-N 307.361 1.865 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 9154868 UPTLVKXVRKWNTF-CQSZACIVSA-N 308.403 1.448 0 40 DDAB Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 5000049 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C[C@@H](SCC(=O)N1CCN(c2ccccc2)CC1)C(=O)O 6831301 ZLCQZEVFZFLZAM-GFCCVEGCSA-N 308.403 1.542 0 40 DDAB O=C(Cn1cnc2ccsc2c1=O)NCCc1cccs1 9501681 YHSVYIAMYOTBMB-UHFFFAOYSA-N 319.411 1.878 0 40 DDAB COc1cc(OC)cc(-c2nnc(SCCC(N)=O)o2)c1 7206729 ZMXPPTCGGVSJFE-UHFFFAOYSA-N 309.347 1.721 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)OC[C@@H]1CCCCO1 71805617 RVSLIUFLURDHCK-AWEZNQCLSA-N 302.334 1.317 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@H]3Cn3cccn3)cn12 71866765 SEXTTYJUXCCHCR-AWEZNQCLSA-N 310.361 1.539 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 68125138 BPEZCKSQDOHKSI-JQWIXIFHSA-N 304.394 1.875 0 40 DDAB CCCCc1nc(CN2CCC[C@H](N3CCNC3=O)C2)no1 71841072 SFSKQFYDIIDHAI-LBPRGKRZSA-N 307.398 1.402 0 40 DDAB CCn1nc(C)c(CNCC2CCN(C[C@@H](C)O)CC2)c1C 69347486 MEZINHKJASRFGQ-CYBMUJFWSA-N 308.470 1.702 0 40 DDAB COCCSc1ccc([C@H](C)NS(=O)(=O)N(C)C)cc1 69464064 UFNHVFCPGQNYSW-NSHDSACASA-N 318.464 1.882 0 40 DDAB Cc1cccc(-n2cc(C(=O)N3CCn4c(C)nnc4C3)nn2)c1 69490342 KCSOTQGHJKIUJH-UHFFFAOYSA-N 323.360 1.132 0 40 DDAB CN(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1 69570141 YPMFQIQEPKPIJF-CYBMUJFWSA-N 316.405 1.735 0 40 DDAB NC(=O)[C@@H](CNC(=O)Nc1ccccn1)Cc1ccc(F)cc1 69813600 PCWHHXMNFJUIFU-GFCCVEGCSA-N 316.336 1.686 0 40 DDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1Cn1cccn1 69981659 MOTWKYZFQSHRME-JYJNAYRXSA-N 321.421 1.848 0 40 DDAB O=C(CNc1ccccc1N1CCCCC1)N1CCNC1=O 8746989 BRZAFIWHPOVARB-UHFFFAOYSA-N 302.378 1.641 0 40 DDAB COc1ccc(C(=O)NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 18708354 GRTWWXYOPQPNIZ-TXEJJXNPSA-N 306.362 1.061 0 40 DDAB CCc1nc([C@H]2CCCN2CC(=O)Nc2cc(C)nn2C)no1 72279322 VVLTWNDCGAFVCJ-LLVKDONJSA-N 318.381 1.450 0 40 DDAB O=C(N1CCN([C@@H]2CCC[C@H]2O)CC1)C1(c2ccccc2)CC1 72269392 STBGGDZNHFCJTK-IAGOWNOFSA-N 314.429 1.776 0 40 DDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)no1 72232135 ZMSCKKIZHHEDSF-RYUDHWBXSA-N 309.366 1.314 0 40 DDAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12 95413309 RKVHBVBPLKIXLJ-WDEREUQCSA-N 315.333 1.956 0 40 DDAB CN1CCO[C@@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)C1 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Cc1nccc(N2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)n1 72369058 UZYHGPNVLDSXFS-GFCCVEGCSA-N 312.377 1.366 0 40 DDAB CC(=O)N1CCC[C@H](Cc2ccc(N3CCSCC3)nn2)C1 72387411 YYPBIPJSJQMTIW-CQSZACIVSA-N 320.462 1.831 0 40 DDAB COc1ccc2[nH]c(C(=O)NCCCC(=O)O)cc2c1OC 35686343 XHNYRWPLZWQHLO-UHFFFAOYSA-N 306.318 1.780 0 40 DDAB Cc1c(NC(=O)NC[C@]2(C)OCCc3sccc32)nnn1C 562797959 QFFKBPNWXHTDSG-AWEZNQCLSA-N 321.406 1.795 0 40 DDAB CCOc1ccc([C@@H](COC)NC(=O)c2ccnn2C)cc1 225472703 RRWHBMXKMJFWCQ-CQSZACIVSA-N 303.362 1.936 0 40 DDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccccn3)C2)nn1 225446197 QBWJAXKBQHZJNN-GFCCVEGCSA-N 313.361 1.231 0 40 DDAB Cc1nn(C)c2cn([C@@H](C)C(=O)N[C@H](C)c3ccncc3)nc12 41123806 CEDHMMIHCZFFOY-PWSUYJOCSA-N 312.377 1.912 0 40 DDAB CS(=O)(=O)N[C@H](CC(=O)NC1CC1)c1ccc(Cl)cc1 225949927 NDKARRHKZYCKAF-GFCCVEGCSA-N 316.810 1.599 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)OCCCO2 49705911 DABMJUGTQPQXLR-UHFFFAOYSA-N 305.330 1.785 0 40 DDAB O=S(=O)(c1cccnc1)N(CC(F)(F)F)C1CCOCC1 77158461 SWSZFHASXDATOV-UHFFFAOYSA-N 324.324 1.814 0 40 DDAB COC[C@H](O)CN(C)C(=O)/C=C/c1cn(C)c2ccccc12 87450570 PEOKGLDQFFQUOD-MYSGNRETSA-N 302.374 1.657 0 40 DDAB Cn1ccnc1C(=O)NCc1ccccc1CN1CCCC1=O 96421330 VFEXAHYAGYSAQI-UHFFFAOYSA-N 312.373 1.473 0 40 DDAB COC(=O)[C@H]1C[C@H](O)[C@H](N2CCC(c3nc(C)cs3)CC2)C1 96456386 NUULIFSCPNKZOH-MCIONIFRSA-N 324.446 1.943 0 40 DDAB O=C(Nc1cccnc1)C(=O)N1CCCN(C2CCCC2)CC1 96416130 IWTFVJQPBHSBCJ-UHFFFAOYSA-N 316.405 1.497 0 40 DDAB O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1cncnc1 96245198 IMSKHAIRTYFPNZ-JSGCOSHPSA-N 300.387 1.633 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)C2 97198977 ADQWJDJJGNBHQS-LBPRGKRZSA-N 322.368 1.778 0 40 DDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1ccsc1 96198730 IAUNYGXXCPTFJS-OLZOCXBDSA-N 324.402 1.138 0 40 DDAB CN(C)C(=O)NCc1nn(C)c2c1CN(Cc1ccoc1)C2 96259102 AHKKAJZNXSSSSH-UHFFFAOYSA-N 303.366 1.300 0 40 DDAB O[C@H](CNc1ccnc2c(F)ccc(F)c12)CN1CCOCC1 96482674 DQKSFXQZVIBDOZ-LLVKDONJSA-N 323.343 1.618 0 40 DDAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)c4ccccn4)C[C@H]3O2)n1 96046214 BYEYDPDBYUQQRL-IACUBPJLSA-N 313.361 1.500 0 40 DDAB Cn1ccnc1N1CCN(C(=O)Cc2ccccc2O)CC1 96436931 JQMWNLHAXISJII-UHFFFAOYSA-N 300.362 1.017 0 40 DDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)NC4CC4)C3)C2=O)cn1 96074086 BKZNFPVUCFXXGI-INIZCTEOSA-N 317.393 1.111 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2c(F)cccc2F)n1 96413587 CRVPJGULFNIIMW-UHFFFAOYSA-N 324.287 1.344 0 40 DDAB CCc1cnc(N2CCc3[nH]nc(C(=O)N(C)C)c3C2)nc1 96066584 LGVVFCYDQXQCGT-UHFFFAOYSA-N 300.366 1.027 0 40 DDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccccn1 96232522 CCFXWNSAERWMBV-ZDUSSCGKSA-N 324.340 1.531 0 40 DDAB Cc1cccc([C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)c1C 96423786 CGFLCLZLMLWMHO-OAHLLOKOSA-N 324.446 1.858 0 40 DDAB CN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 96260395 BXRJBLPPAYABFX-UHFFFAOYSA-N 302.422 1.414 0 40 DDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ncc(Cl)cc1Cl 96495531 DZXDGBPNBNWYJQ-KWQFWETISA-N 305.161 1.497 0 40 DDAB O=C(Nc1cnn([C@H]2CCOC2)c1)[C@H]1COc2ccccc2O1 96123114 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CC(=O)N[C@@H]1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)C1 575241178 MXXYOAVZGFXCAF-GXTWGEPZSA-N 303.410 1.428 0 40 DDAB O=S1(=O)C=C[C@H](NC(=S)Nc2ccccc2Cl)C1 575419548 JDDMBDFEIYGNSM-QMMMGPOBSA-N 302.808 1.937 0 40 DDAB CC1CCN(C(=O)NCC2CCN(CC(=O)N(C)C)CC2)CC1 585142111 PETKNXVZZFZXCY-UHFFFAOYSA-N 324.469 1.228 0 40 DDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2cnn(C)c2)cc1 585275333 APWLOACTNUOSMX-IRXDYDNUSA-N 313.401 1.937 0 40 DDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)CC1CC1)CC2 585096212 BJFDXYHFUXSZIG-LLVKDONJSA-N 304.394 1.725 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)o1 33020439 HFNVFVNAUPNYJE-VIFPVBQESA-N 302.396 1.694 0 40 DDAB C[C@@H]1CC=CC[C@H]1NC(=O)NCc1nc(O)c2c(n1)CCOC2 896265335 NCWLEJJRKBDNAV-ZYHUDNBSSA-N 318.377 1.409 0 40 DDAB O=C(NCCNc1ncccn1)NC[C@@H](O)c1ccccc1F 48234432 WZLCZFMUVLISOS-CYBMUJFWSA-N 319.340 1.060 0 40 DDAB CN1CCN(CC(=O)NCc2cccnc2)c2ccc(F)cc21 72857600 BVNAPUDUKOXFOU-UHFFFAOYSA-N 314.364 1.793 0 40 DDAB CC(C)c1nc(CN(C)[C@H]2CCN([C@@H]3CCOC3=O)C2)no1 78891755 GNJYIRFDDKWQCI-NWDGAFQWSA-N 308.382 1.015 0 40 DDAB N[C@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 20473836 YHWQXWNBZWWDRB-VIFPVBQESA-N 308.325 1.817 0 40 DDAB Cc1cc(C)cc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 14198681 OZFVHGVQLCRLDO-UHFFFAOYSA-N 320.414 1.764 0 40 DDAB O=C1Nc2ccccc2O[C@@H]1O[C@H]1Oc2ccccc2NC1=O 16524915 PJUSHXHUNGUVQX-HZPDHXFCSA-N 312.281 1.717 0 40 DDAB COc1ccc(OCC(=O)N2CCCc3c(cnn3C)C2)cc1 19289636 AVZDLDYLTZSKNF-UHFFFAOYSA-N 315.373 1.783 0 40 DDAB COCCNC(=O)NCC1CCN([C@H]2CCSC2)CC1 225576161 SCIAQMFXHSHDBH-ZDUSSCGKSA-N 301.456 1.150 0 40 DDAB NC(=O)C1CCN(C(=O)c2ccnc(OCC3CC3)c2)CC1 244942671 CUGBTCYQQJZWIX-UHFFFAOYSA-N 303.362 1.208 0 40 DDAB C[C@H]1CNCCN1C(=O)c1cc(C(=O)O)n(-c2ccccc2)n1 567476647 UMPAXYGFZRDVHA-NSHDSACASA-N 314.345 1.004 0 40 DDAB Cc1ccc(C(=O)NCC(=O)NCCc2ccccn2)cc1C 21774523 BNNTXOSETKFECC-UHFFFAOYSA-N 311.385 1.787 0 40 DDAB Cc1noc(C)c1CNS(=O)(=O)c1cc(C(=O)O)cs1 109232128 KLLZQCFIIUYHBP-UHFFFAOYSA-N 316.360 1.530 0 40 DDAB O=C(c1cnco1)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056223713 BOZHCYKRBAUXNS-GFCCVEGCSA-N 307.419 1.861 0 40 DDAB Cc1cc(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)n(C)n1 2056224725 RQRZHHAPMFZVFZ-CYBMUJFWSA-N 320.462 1.524 0 40 DDAB COC(=O)c1c(C)oc2cc(S(=O)(=O)O)c(OC)cc12 1866904 CCYLUCXBESDFJR-UHFFFAOYSA-N 300.288 1.783 0 40 DDAB CC(C)NC(=O)c1noc2c1C[C@H](NCc1ccccn1)CC2 2055734479 AJKDYIXCYJZOGO-GFCCVEGCSA-N 314.389 1.855 0 40 DDAB O=S(=O)(c1cccnc1)N1CCC[C@H](Oc2ccncn2)C1 575610822 YSMCRQUEIVNLAD-LBPRGKRZSA-N 320.374 1.104 0 40 DDAB Cc1ccc2oc(=O)cc(CN3CCN(CCO)CC3)c2c1 20533220 MAJLLVPNPSFOQQ-UHFFFAOYSA-N 302.374 1.211 0 40 DDAB O=C1NCCN(C(=O)c2cn3cccnc3n2)[C@@H]1c1ccccc1 96402608 OCXWKSFFJFIULX-CQSZACIVSA-N 321.340 1.043 0 40 DDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 30604689 PXWFIZKOFYALQU-NEPJUHHUSA-N 321.402 1.243 0 40 DDAB O=C(Cn1ccc2ccc(Br)cc21)NCCCO 40267577 WXXBDOPWXFCRNA-UHFFFAOYSA-N 311.179 1.902 0 40 DDAB COc1ccccc1[C@H](C)N(C)C(=O)CN(C)S(C)(=O)=O 40508892 MZUSPMXQPJMRLT-NSHDSACASA-N 314.407 1.106 0 40 DDAB O=C1[C@H]2C=C[C@@H](C2)N1CN1CCO[C@@H](c2ccc(F)cc2)C1 101231602 PUGLSWATKJPBMA-CWRNSKLLSA-N 302.349 1.943 0 40 DDAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 245955 VSEUBSIOCPHOEN-YRNVUSSQSA-N 314.322 1.990 0 40 DDAB C[C@H]1C[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 32387933 JGABLNNGHLAHLJ-AAEUAGOBSA-N 308.403 1.612 0 40 DDAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1C 32392140 XLHXUKJDXUVDTP-MRXNPFEDSA-N 318.398 1.914 0 40 DDAB C[C@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)N1CCNC1=O 32771642 AXUQQDLZBUORIJ-JTQLQIEISA-N 316.361 1.387 0 40 DDAB COC(=O)c1ccoc1COc1ccc(-n2cnnn2)cc1 32895999 WULIXRGOPRLWKT-UHFFFAOYSA-N 300.274 1.621 0 40 DDAB CCNC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 102788142 HAOFDONVNNSIAL-QJRTVWDNSA-N 322.405 1.141 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)no1 42385223 PWJDYJQDQVFCNM-UHFFFAOYSA-N 315.377 1.542 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 24710482 CXPZGVKVPPQARO-UHFFFAOYSA-N 318.345 1.208 0 40 DDAB Cc1cc(C)c(CCNC(=O)Cc2nc3ncccn3n2)c(C)c1 55489579 PMRQOMYKMYTCCP-UHFFFAOYSA-N 323.400 1.951 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3600538 CAICSGBHHNEBJO-HNNXBMFYSA-N 323.780 1.633 0 40 DDAB Cc1ccccc1-c1cc(C(=O)N2CCN(CCO)CC2)[nH]n1 84247646 GNJMWXHYEZJBMR-UHFFFAOYSA-N 314.389 1.135 0 40 DDAB CN(C)C(=O)COc1cccc(C(=O)OCc2cnn(C)c2)c1 56229383 OJXMAZUCQVOUPX-UHFFFAOYSA-N 317.345 1.244 0 40 DDAB Cn1ccs/c1=N\C(=O)CCN1C(=O)COc2ccccc21 26367311 AWYPDRMVAXBMFG-NXVVXOECSA-N 317.370 1.330 0 40 DDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)on2)cc1 10253172 OWIMNQPBCGAANZ-UHFFFAOYSA-N 308.359 1.958 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)COc1cccc(C)c1 10365968 VBODFSYEDDJNHB-LLVKDONJSA-N 308.334 1.151 0 40 DDAB O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1ccc2nsnc2c1 95468031 LXKXUQXBHLMYLT-VIFPVBQESA-N 317.370 1.859 0 40 DDAB C[C@H](CNC(=O)[C@@H]1COc2ccccc2O1)CN1CCCC1=O 58004384 COVLAEZFNRAKLR-DOMZBBRYSA-N 318.373 1.201 0 40 DDAB O=C(N1CCCCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 23356722 VBKFVZGJOHHSCE-KRWDZBQOSA-N 317.433 1.944 0 40 DDAB COc1nc(C(=O)NCCC(=O)N(C)C)cc2ccccc12 58295584 QDVFKKCRYJHJJU-UHFFFAOYSA-N 301.346 1.452 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cnc2ccccc2n1 44940611 OMLCPYBYSKCLAA-LBPRGKRZSA-N 300.362 1.080 0 40 DDAB Nc1nc(Cl)cc(N[C@@H]2CCCN(c3ncccn3)C2)n1 44976681 IZBKSMORYAQFNO-SECBINFHSA-N 305.773 1.583 0 40 DDAB CC(=O)NCC1CCN(Cn2ccc(C(F)(F)F)n2)CC1 58357120 DNRYSNLCZCMQLZ-UHFFFAOYSA-N 304.316 1.708 0 40 DDAB COc1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2ccccc12 58340911 NEXWKVQEKIILAY-NSHDSACASA-N 320.370 1.160 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccnc(Cl)c2)C1 28017805 TXKUQRYWTDIGKR-ZDUSSCGKSA-N 311.813 1.822 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCc3sccc3C2)CC1=O 45313474 FIKHIHJOBPRJLD-LBPRGKRZSA-N 308.403 1.128 0 40 DDAB Cc1cc(NC(=O)CCN2CCC(c3cn[nH]c3)CC2)no1 97202786 DPYOWEVWHLQRNT-UHFFFAOYSA-N 303.366 1.914 0 40 DDAB CN(C)c1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1)CC2 97202436 ZSHJDHKIIQMSIP-MRXNPFEDSA-N 316.380 1.773 0 40 DDAB COC(=O)C(F)(F)C(=O)NCCOc1ccc(C)cc1C 104766390 RZDPFXBNRZYTSM-UHFFFAOYSA-N 301.289 1.607 0 40 DDAB O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCNCC1 12391438 VVKPSDKQDCDORS-LLVKDONJSA-N 307.781 1.125 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccccc2O)C1 3242579 URGNSZSVKMRFET-LBPRGKRZSA-N 307.346 1.573 0 40 DDAB CCN1CC2(CCN(S(=O)(=O)C(F)(F)F)CC2)CC1=O 108528534 KJTRUIYNXFMFLD-UHFFFAOYSA-N 314.329 1.170 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccc(Cn2cncn2)cc1 48287928 KXONTTGISVTRGP-UHFFFAOYSA-N 311.345 1.861 0 40 DDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSCC(=O)O 12788805 AWUFXAHGWKHBGB-UHFFFAOYSA-N 324.402 1.518 0 40 DDAB CCOC(=O)NC(=O)COC(=O)c1ccc(OC)cc1OC 3386546 ZERVXBDZMKHVGQ-UHFFFAOYSA-N 311.290 1.133 0 40 DDAB NC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCC3 3485855 UFFCLNVNKQTUQR-UHFFFAOYSA-N 308.388 1.467 0 40 DDAB Cn1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1=O 48961809 UVYOXRMPHLATAA-UHFFFAOYSA-N 316.741 1.979 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)OC[C@H]3CC=CCC3)cnc21 65554111 OAJRCJSYLFUMBU-NSHDSACASA-N 302.334 1.030 0 40 DDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2nccs2)C1=O 14138780 GWJDZVJPACIBII-SECBINFHSA-N 303.343 1.896 0 40 DDAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CCCC1 14190300 KBFXDNZELDOYOE-UHFFFAOYSA-N 310.419 1.952 0 40 DDAB C[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)c1nccs1 65613932 AGDCZLMCZIOZPG-SNVBAGLBSA-N 321.377 1.818 0 40 DDAB CC(C)(C)NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 65622296 BXIWDCWOPXTROA-UHFFFAOYSA-N 324.446 1.445 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(OC(F)F)c1 6485863 PRAUHYOFZSYVTH-SSDOTTSWSA-N 316.260 1.289 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H]1COc2ccccc2O1 6549185 LLGJTNRITFCRIZ-LLVKDONJSA-N 302.330 1.691 0 40 DDAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCc2ccccc2C1 6664405 MOXFSGZGLVMLKJ-UHFFFAOYSA-N 321.336 1.415 0 40 DDAB O=c1c2cnc(N3CCCC3)nc2nc(O)n1Cc1ccco1 67264323 GZZDOEICDUFKAB-UHFFFAOYSA-N 313.317 1.134 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1c(Cl)nc2ccccn12 71819325 WJJUPNSXRXYNOT-UHFFFAOYSA-N 308.769 1.715 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 71871284 LCWTZAMWGPEHGA-XQQFMLRXSA-N 322.371 1.880 0 40 DDAB NC(=O)[C@@H](c1ccccc1)N1CCCN(c2nccs2)CC1 71830496 DEADUPKXTOWFFP-CQSZACIVSA-N 316.430 1.882 0 40 DDAB Cc1ccc(C)c([C@@H](C)NC(=O)N2CCS(=O)(=O)CC2)c1 71803859 WQUXMZTXWKWRIF-CYBMUJFWSA-N 310.419 1.804 0 40 DDAB NC(=O)c1nccnc1C(=O)NCC1(c2ccccc2F)CC1 81420907 WXQVOCCYWVCLSS-UHFFFAOYSA-N 314.320 1.176 0 40 DDAB CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)Cn1ccnc1 69348741 AFNZGXRRZFLUAS-LAJNKCICSA-N 305.403 1.829 0 40 DDAB CCC(CC)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 69452400 ZYQBDXFNWZKHLF-UHFFFAOYSA-N 311.407 1.627 0 40 DDAB CCOc1ccc(Cl)cc1CCNC(=O)Cn1ccnn1 95440565 RCBXCGOBTSMHOD-UHFFFAOYSA-N 308.769 1.689 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1cn(-c2ccccc2Cl)nn1 69601893 SBSYCIZNURCJLW-UHFFFAOYSA-N 322.752 1.602 0 40 DDAB CC[C@H](CO)N1CCN(C(=O)Cc2cc(C)ccc2C)CC1 95430237 QBKGFQSGUXGRDU-QGZVFWFLSA-N 304.434 1.761 0 40 DDAB Cc1cc(C)n(CC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)n1 17732638 VFFYWSCOZUWGNP-SMDDNHRTSA-N 307.394 1.738 0 40 DDAB CC[C@H](C)Nc1nnc(S[C@H](C)C(=O)NC(=O)NC)s1 9762771 AYMRHFIKZMNZKV-NKWVEPMBSA-N 317.440 1.685 0 40 DDAB Cc1cc(N2CCC[C@@H]2Cn2nc(C)cc2C)n2ncnc2n1 69929898 WGKMFNWZNQYQLN-CQSZACIVSA-N 311.393 1.915 0 40 DDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS[C@@H](C)C1 69922279 JMRBIZPAKNCVRC-VIFPVBQESA-N 320.418 1.146 0 40 DDAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(C(C)C)C1=O 8969997 KPWOBAHSDVOJTI-KRWDZBQOSA-N 315.373 1.461 0 40 DDAB COCCCNC(=O)Cn1nnc(-c2cc3ccccc3o2)n1 71186298 FVKMNCAJUSJVPP-UHFFFAOYSA-N 315.333 1.239 0 40 DDAB O=c1c2ccccc2nnn1CCCn1c(=O)[nH]c2ccccc21 9025650 PTNSPEBNSPBABQ-UHFFFAOYSA-N 321.340 1.525 0 40 DDAB C[C@H](NCC(=O)N1CCOCC1)c1ccc(OC(F)F)cc1 97033070 VBDUQCKXHQTTAA-NSHDSACASA-N 314.332 1.797 0 40 DDAB Cc1nscc1C(=O)N1CCN([C@@H](C)C(=O)NC(C)C)CC1 97080398 SQANYVULQWLZGA-LBPRGKRZSA-N 324.450 1.122 0 40 DDAB O=C1[C@@H](N2CCS(=O)CC2)CCN1c1cccc(Cl)c1 97012408 CZNIXQMHJGTQJP-ZDUSSCGKSA-N 312.822 1.510 0 40 DDAB COc1ncccc1NC(=O)N1CCN(C(C)(C)CO)CC1 72286265 BASUGBXEOMDJDF-UHFFFAOYSA-N 308.382 1.011 0 40 DDAB O=C(NCc1cccc(-n2cccn2)c1)C(=O)Nc1cccnc1 72287214 NESTXNUBJCFCBK-UHFFFAOYSA-N 321.340 1.522 0 40 DDAB CN1CCC(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 95988906 LUDSQDJFMNYIOU-QGZVFWFLSA-N 317.433 1.734 0 40 DDAB C[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)c1cccs1 89901013 MMLNMYWAHPJCDY-WDEREUQCSA-N 316.448 1.728 0 40 DDAB Cc1noc([C@@H](C)N2CC[C@H](N(C)Cc3noc(C)n3)C2)n1 76047291 OGPRVMJQLQJSIM-SKDRFNHKSA-N 306.370 1.337 0 40 DDAB Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2cccnc2)c1 76540165 PCRLDFRLOADIKM-CYBMUJFWSA-N 313.357 1.912 0 40 DDAB O=C(c1ccccc1O)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408617944 BLVVSUIQXUBEQH-WUDKWMPASA-N 309.321 1.586 0 40 DDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)on1 548677103 ACBDPCROGQDGLW-RYUDHWBXSA-N 322.340 1.622 0 40 DDAB CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC2(CCC2)C1 516969908 MCMDBNWDPUEIKP-GFCCVEGCSA-N 316.409 1.846 0 40 DDAB CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)nc(O)n2C 520992362 KJLCOXHUYNGJAA-GFCCVEGCSA-N 303.362 1.920 0 40 DDAB NC(=O)CN1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 72360938 VOCFLJNEMBHYRP-GFCCVEGCSA-N 312.377 1.280 0 40 DDAB C[C@H](SC(F)(F)F)C(=O)NCc1nnc2ccccn12 32914221 FKAGINVOGBJAHT-ZETCQYMHSA-N 304.297 1.987 0 40 DDAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(CCO)CC2)c1 75568063 JXVIFMXOROKAJO-UHFFFAOYSA-N 320.433 1.634 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)cs1 72243238 IAHWIOQUCSCWDF-SNVBAGLBSA-N 311.384 1.925 0 40 DDAB NNc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 216775304 IOZDCXHTYSHIKL-UHFFFAOYSA-N 312.420 1.757 0 40 DDAB CCN(Cc1ccccc1)C(=O)CSc1nnc(O)[nH]c1=O 71405376 DUWWWAPSYBEINZ-UHFFFAOYSA-N 320.374 1.011 0 40 DDAB CCn1nncc1C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 560392284 AUQVCKZZPHKWSE-CQSZACIVSA-N 322.315 1.790 0 40 DDAB O=C(CCN1C(=O)CCC1=O)Nc1nc(C(F)(F)F)cs1 32832702 FYFWXOIUKBYBRH-UHFFFAOYSA-N 321.280 1.640 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)CO 218413779 GGJUAAZIIXMRGQ-RWMBFGLXSA-N 303.811 1.178 0 40 DDAB NS(=O)(=O)c1cnc(N2CC[C@H](Nc3ccccc3)C2)s1 78988147 IQOHDFILFFCBEA-NSHDSACASA-N 324.431 1.481 0 40 DDAB Cn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)nn1 44442950 WERUPRBICATOLP-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB CNS(=O)(=O)CCC[S@@](=O)Cc1ccc(Cl)cc1C 195579441 GQUNMEAAYRTQQQ-GOSISDBHSA-N 323.867 1.836 0 40 DDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 225929083 DFBXYTWSIPFZRI-ZDUSSCGKSA-N 312.435 1.839 0 40 DDAB Cc1nc(C)c(C(=O)NCc2ccc(S(C)(=O)=O)c(C)c2)o1 96468295 NLLXPTOIUDDCPI-UHFFFAOYSA-N 322.386 1.933 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cnn2c1CCCC2)c1ccc(F)cc1 97380155 PXESXHXQPAUREG-AWEZNQCLSA-N 316.336 1.315 0 40 DDAB CC(C)N1CCCC[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 96421690 IXJBIZSPGAKGGZ-OAHLLOKOSA-N 318.421 1.789 0 40 DDAB CC(C)Oc1ncnc2c1CCN(C(=O)c1ccno1)CC2 96255643 ZSDRREJYLRDKMS-UHFFFAOYSA-N 302.334 1.493 0 40 DDAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)C1CCOCC1)C2 96056877 GBDNKCDHBKDPLT-RDJZCZTQSA-N 311.422 1.847 0 40 DDAB CN(C)CC(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 96106494 GNBCJYTYFQUUSY-MRXNPFEDSA-N 324.465 1.620 0 40 DDAB Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2)n1 96061818 CMTHNRIBIRTOAA-UHFFFAOYSA-N 322.372 1.487 0 40 DDAB O=C(NCc1ccc2c(c1)CCC2)NC[C@@]1(O)CCSC1 96447306 KOPYVFOAUSRVIY-INIZCTEOSA-N 306.431 1.843 0 40 DDAB O=C(Cc1ccc2c(c1)OCC2)N1CCN(c2ccccn2)CC1 95473043 DPURQNUYSPMKQH-UHFFFAOYSA-N 323.396 1.908 0 40 DDAB CC(C)C(=O)N[C@H]1COC2(CCN(Cc3cccnc3)CC2)C1 96224824 LJLYKAFCTUZAQI-MRXNPFEDSA-N 317.433 1.977 0 40 DDAB O=C(Cc1ccon1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 331512460 JHFCXMDNZZNLIQ-FZMZJTMJSA-N 308.284 1.830 0 40 DDAB Cc1ccnc(NC(=O)c2ccccc2OCc2nnnn2C)c1 96101370 AOWZVDPIMSTUAH-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB COCC(=O)N1CCC[C@]2(CCCN2Cc2ccncc2)C1 96071488 XXRGSRVXXDGTGQ-KRWDZBQOSA-N 303.406 1.685 0 40 DDAB O=C(N[C@@H]1CN(Cc2ccco2)[C@@H]2COC[C@H]12)c1ccsc1 96185136 ALTPBYCBGPNQHG-RBSFLKMASA-N 318.398 1.970 0 40 DDAB O=C(C1CCOCC1)N1CC2(C[C@H](OCC3CC3)CS2)C1 247843219 GDQSHWYBRZXTDB-AWEZNQCLSA-N 311.447 1.926 0 40 DDAB O=C(CN(C[C@H](O)c1ccccc1)C1CC1)NC[C@H]1CCCO1 245281228 AJRDPFYXIMIAIT-SJORKVTESA-N 318.417 1.480 0 40 DDAB C[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC[C@H]1C 252497668 QMNUKZACAZEFBU-YXMSTPNBSA-N 309.454 1.926 0 40 DDAB O=C(Cc1ccccc1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1 257322713 WHBGPRVFFXWMQY-QGZVFWFLSA-N 323.396 1.879 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2ccncn2)ccn1 257336049 YMXYAWPJEJKLCZ-AWEZNQCLSA-N 311.345 1.807 0 40 DDAB COc1ccccc1C(=O)N1CCC2(CC1)OCCC[C@@H]2O 257301269 RXSHBKGWNRFERE-HNNXBMFYSA-N 305.374 1.841 0 40 DDAB CN(C)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1 257276950 NVWAEABWBABROH-KRWDZBQOSA-N 316.405 1.482 0 40 DDAB Cc1ocnc1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 257276072 NSGAKXJPZLNUMV-CQSZACIVSA-N 315.377 1.812 0 40 DDAB CNC(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O 253407473 WMGUDFQKVGTJQI-QMMMGPOBSA-N 306.318 1.772 0 40 DDAB biogenic,in-vitro COC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260845699 WGBKNEZBNXBXRH-COPLHBTASA-N 309.387 1.940 0 40 DDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)CCF)C2)OC1 575402803 CIUCHNHPXWMCBB-CYBMUJFWSA-N 312.385 1.366 0 40 DDAB CC(C)c1nccn1CC(=O)N1CCC[C@]2(CCC(=O)O2)C1 585286361 QIDLOSNWEQMHIT-INIZCTEOSA-N 305.378 1.705 0 40 DDAB COCCN1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104395 LQANLTGJPBWANZ-QGZVFWFLSA-N 322.380 1.527 0 40 DDAB COC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 69592683 HGTVTALPKGVZEU-AWEZNQCLSA-N 319.357 1.841 0 40 DDAB CN1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2)CC1 71885848 UXXVYUKFWMGQMM-QGZVFWFLSA-N 301.434 1.929 0 40 DDAB COc1ccccc1CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269566 WBZKATZINUIXEL-HZPDHXFCSA-N 318.417 1.295 0 40 DDAB CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCCc2ccccc21 44250814 MFUCBJXFQZKFFQ-STQMWFEESA-N 301.346 1.121 0 40 DDAB CN1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 49993058 JISAQFLGTXJOKW-HZPDHXFCSA-N 321.852 1.807 0 40 DDAB O=C(NOCc1ccccc1)N1CCC[C@@H]1CN1CCOCC1 74088396 MIZPURPWRSNPKX-MRXNPFEDSA-N 319.405 1.624 0 40 DDAB C[C@@H](O)CN1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1C 75129318 HSIHCRXTKHQJMH-HZPDHXFCSA-N 314.433 1.759 0 40 DDAB CCN(CC)CCN(CCOC)c1cc(Cl)nc(N)n1 75107034 CZVGRBLHDVFBHY-UHFFFAOYSA-N 301.822 1.507 0 40 DDAB Cn1cc([C@@]2(C)NC(=O)N(C/C=C/c3ccccc3)C2=O)cn1 89914287 NHFFBJUTJSJEII-RCMYXZNBSA-N 310.357 1.901 0 40 DDAB O=C(O)c1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 157194 WGPKTSLFOQFARM-LLVKDONJSA-N 313.309 1.955 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 825290573 XDDYJBCIKJATRU-STQMWFEESA-N 314.393 1.637 0 40 DDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(F)c1 5016135 WFCCUGQKQGXTDG-LBPRGKRZSA-N 303.297 1.664 0 40 DDAB CO[C@H]1CCC[C@H]2O[C@]3(OC)[C@@H](OC)CCC[C@H]3O[C@@]12OC 5574150 UNVDUVYQZLAAOQ-UGYDUONOSA-N 316.394 1.854 0 40 DDAB CCOC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 5717123 DKXVEVFHCCVCNU-UHFFFAOYSA-N 320.389 1.983 0 40 DDAB CC(=O)N[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 19315878 INQURHWBKQKKHZ-BHNWBGBOSA-N 303.617 1.928 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19499991 DHQOOIQSMFARQC-QGYZOODHSA-N 300.358 1.988 0 40 DDAB O=C1C[C@H](C(=O)N2[C@H]3CC[C@H]2COC3)CN1c1ccc(F)cc1 107098825 YMZSNMIZDCJLHY-CQDKDKBSSA-N 318.348 1.568 0 40 DDAB Cc1ccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)cc1C 22584982 MYMNOJVNYMCIJQ-OAHLLOKOSA-N 319.405 1.333 0 40 DDAB CCS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 8477143 USMJCASUWFAKLM-UHFFFAOYSA-N 302.440 1.451 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COCc1ccccc1 24094646 UARQZDGMVQBBPH-CQSZACIVSA-N 318.373 1.429 0 40 DDAB COc1ccc(F)c(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c1 2037983697 COPDROPDOWHNBU-LRDDRELGSA-N 322.380 1.513 0 40 DDAB COCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 96783003 KYIGVNMXPUCWJG-AWEZNQCLSA-N 306.362 1.550 0 40 DDAB O=C(c1ccno1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705939 UXGCHEHEOIBPDR-UHFFFAOYSA-N 311.345 1.509 0 40 DDAB CCOC(=O)[C@@H]1CS/C(=C/C(=O)Nc2ccccc2)C(=O)N1 30843374 JSPRPBQHCXSHPC-SERMCNLOSA-N 320.370 1.304 0 40 DDAB CC(C)(C)c1cn2nc(N3CCC(C(N)=O)CC3)sc2n1 40490521 FHFGZCIGRRCZNS-UHFFFAOYSA-N 307.423 1.790 0 40 DDAB O=C(NCCN1CCOCC1)c1csc(-c2ccco2)n1 40493822 YRKDMHRQYGNUJN-UHFFFAOYSA-N 307.375 1.465 0 40 DDAB NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl 40494426 LNCBNDOIZSCNHD-JTQLQIEISA-N 320.773 1.508 0 40 DDAB Cc1occc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 31939910 FJHDOTATGRQFLM-HNNXBMFYSA-N 310.419 1.526 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@H]2C[C@H]2C)cc1OC 32474607 HKFDQQSIXBYFMO-RKDXNWHRSA-N 303.355 1.777 0 40 DDAB COC(=O)c1ccccc1NC(=O)CSc1nncn1C 480354 JVBHARSYBZYCEJ-UHFFFAOYSA-N 306.347 1.333 0 40 DDAB COc1ccc(CNC(=O)COC(=O)c2ccc(C)nc2)cc1 23518913 JNIJQSWUJJBXRG-UHFFFAOYSA-N 314.341 1.872 0 40 DDAB CN(C)CCn1nnnc1SCc1cnc2ccccn12 95990831 HXXORWBIPCZWLF-UHFFFAOYSA-N 303.395 1.175 0 40 DDAB Cn1cc(CNC(=O)NCCOc2ccc3c(c2)CCC3)cn1 54806515 TYVCIPQFNDEJHV-UHFFFAOYSA-N 314.389 1.787 0 40 DDAB Cc1ccc(NC(=O)NC(=O)CSc2cn[nH]n2)cc1C 79020047 PQTHAYXNWIZRHF-UHFFFAOYSA-N 305.363 1.862 0 40 DDAB Cc1cc(=O)c(OCC(=O)NCc2ccc3c(c2)OCO3)c[nH]1 79189337 YBGNKDLALGAMMR-UHFFFAOYSA-N 316.313 1.107 0 40 DDAB biogenic CC(C)[C@@H](C(=O)N[C@@H]1CCCS(=O)(=O)C1)N1CCCCC1 79310295 FUWSTCVZURLDFT-KGLIPLIRSA-N 316.467 1.190 0 40 DDAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 12563371 FLHKCTUPMIRJFI-UTUOFQBUSA-N 306.362 1.852 0 40 DDAB CCCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1 6265055 XSEGFOQQYWGGLJ-KGLIPLIRSA-N 301.346 1.887 0 40 DDAB COc1cccc2c1N(CCn1nc3ccccn3c1=O)CCC2 26339331 BMSSMZJHJGIOCQ-UHFFFAOYSA-N 324.384 1.957 0 40 DDAB COc1cc(Nc2ccc3nnnn3n2)cc(OC)c1OC 12562513 VZVSRSWXYKAPHH-UHFFFAOYSA-N 302.294 1.289 0 40 DDAB COCCc1nnc(SCc2cnc(Cl)c(F)c2)n1N 521395301 YZFHHEGUGHWITM-UHFFFAOYSA-N 317.777 1.661 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21 44910250 NCUMBNBBLXLQCW-WFASDCNBSA-N 322.430 1.798 0 40 DDAB C[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)[C@H]1CCCO1 27868828 PRUPOVWLBYSUKP-CMPLNLGQSA-N 323.418 1.496 0 40 DDAB Cn1ccnc1N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 84673263 RTUVCZHATVSGPJ-LBPRGKRZSA-N 317.220 1.653 0 40 DDAB CC[C@H]1CN(C(=O)CCc2cscn2)C[C@@H]1N1CCOCC1 84735836 FBECSAGQXJNZNW-ZFWWWQNUSA-N 323.462 1.645 0 40 DDAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccnnc2)cc1 95444007 GSCYVHUQBYVPPF-JTQLQIEISA-N 313.313 1.863 0 40 DDAB COc1ccc(C(=O)O)cc1S(=O)(=O)Cc1cc(C)no1 36893750 QXOHUSOJDPRZNW-UHFFFAOYSA-N 311.315 1.664 0 40 DDAB in-vitro COc1ccc(OCCN2CCC[C@@H]2C(=O)NC2CC2)cc1 45957469 MRIFAIMUOYFJPF-MRXNPFEDSA-N 304.390 1.817 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(-n2cnnn2)cc1 2645391 RNGQTYKJQTYVLO-IUODEOHRSA-N 315.377 1.736 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)NCCC3=CCCCC3)cnc21 2694093 XRLXSQSZHNZZMU-UHFFFAOYSA-N 315.377 1.137 0 40 DDAB CCCN(CCC)S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 46799014 RAHXRHHSHTWACE-ZDUSSCGKSA-N 313.423 1.169 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2ccccn2)no1 12321788 JAAYYPRSPNWGEI-UHFFFAOYSA-N 324.296 1.790 0 40 DDAB CCOC(=O)c1c(N)sc(C(=O)NC)c1CN(CC)CC 12769396 KVJBZCLEXFIPJH-UHFFFAOYSA-N 313.423 1.708 0 40 DDAB in-vitro COc1ccc(/C=C/C(=O)N2CCC[C@H](C(N)=O)C2)cc1F 12762812 WDAULWMRDCMBTQ-PZBABLGHSA-N 306.337 1.571 0 40 DDAB COc1ccc(C(=O)NCc2nnc3n2CCC3)c(OC)c1 12883542 LMQMGCMDYXOZHI-UHFFFAOYSA-N 302.334 1.172 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594679 OPBUVWKNKMCVQG-DIFFPNOSSA-N 315.373 1.295 0 40 DDAB O=C1CN(C(=O)NCCCC(=O)NC2CC2)c2ccccc2N1 9134618 VPYDGNHFOUAFNX-UHFFFAOYSA-N 316.361 1.214 0 40 DDAB C[C@H](CN1CCCC1=O)NCc1ccc(-n2cncn2)c(F)c1 48780133 BASDVTYRYSFAHG-GFCCVEGCSA-N 317.368 1.507 0 40 DDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl 13000306 JCYANHTXXVPWLM-JTQLQIEISA-N 321.757 1.805 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCCN(C)C 96014209 ATAFOQQVSGASMS-QGZVFWFLSA-N 317.433 1.590 0 40 DDAB O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCC2CC2)C1 96005136 JUIKCRNXJSDDAC-CQSZACIVSA-N 314.451 1.497 0 40 DDAB Cc1noc(C)c1[C@H](C)CNC(=O)[C@H](C)N1CCSCC1 95434517 FZRLRXIFBQGTGL-PWSUYJOCSA-N 311.451 1.948 0 40 DDAB Cc1nc(C)c(I)c(N2CCOCC2)n1 4050628 WGHPHRMYGUDLOS-UHFFFAOYSA-N 319.146 1.535 0 40 DDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 4280228 LPCIQFTWJPPFLL-ZOWXZIJZSA-N 318.354 1.571 0 40 DDAB NC(=O)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 5256803 INCXVSUKZAGURU-UHFFFAOYSA-N 320.414 1.501 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)cc1C(N)=O 65423821 AOMRSOXHGPYXRG-LLVKDONJSA-N 319.386 1.528 0 40 DDAB Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C(N)=O)c2ccccc2)n1 65548576 UWUCCTBQVHXQHU-GXTWGEPZSA-N 300.362 1.404 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5516427 OIPNPOOANSBUSI-ZJUUUORDSA-N 302.808 1.994 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 66237650 UALQGSUYKUKMDI-CXAGYDPISA-N 318.373 1.455 0 40 DDAB CNC(=O)c1ccccc1NS(=O)(=O)c1c(C)n[nH]c1C 14869533 QLBVSCLCYLXEFQ-UHFFFAOYSA-N 308.363 1.187 0 40 DDAB CNC(=O)[C@@H](NC(=O)Nc1ccccn1)c1ccc(F)c(F)c1 67539665 SNUPHUMNVCFYTA-ZDUSSCGKSA-N 320.299 1.969 0 40 DDAB O=C(Nc1nnn[nH]1)c1csc(CCc2ccccc2)n1 71885998 MDYOOHAVARYQCC-UHFFFAOYSA-N 300.347 1.694 0 40 DDAB Cc1cccn2c(=O)cc(COC(=O)c3ccc(CO)cc3)nc12 7294148 CLBJCONZHYKQRI-UHFFFAOYSA-N 324.336 1.852 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 71871188 KPPPRMRMDRJFND-ZDUSSCGKSA-N 306.381 1.382 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 71871304 KBLDAYLODNSVEI-AVGNSLFASA-N 322.371 1.880 0 40 DDAB O=C(NCCNC(=O)c1cnccn1)c1ccc2ccccc2c1 7871465 FODNLMKNCZNDDL-UHFFFAOYSA-N 320.352 1.790 0 40 DDAB O=C(CN1CCC(n2ccnn2)CC1)Nc1ccc(F)cc1 95994223 KYJDCJOMALZXNC-UHFFFAOYSA-N 303.341 1.693 0 40 DDAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]1CN1CCCCC1 69078299 UBPDUYWZQYRXJL-CQSZACIVSA-N 324.469 1.561 0 40 DDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC1 70013473 YCXPNTANZVKZDK-CMPLNLGQSA-N 310.781 1.811 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1NC(C)=O 16978430 GYVHHUZDLATRPR-UHFFFAOYSA-N 324.362 1.188 0 40 DDAB FC(F)(F)c1ccnc(N2CCO[C@@H](Cn3cccn3)C2)n1 69456702 MJBVSKQBBDGAHB-SNVBAGLBSA-N 313.283 1.597 0 40 DDAB C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccn1 69416150 MKUYMFHHOOPMIH-JTQLQIEISA-N 311.341 1.780 0 40 DDAB COc1ccc(CC2CCN(C(=O)Cn3cnnn3)CC2)cc1 69516669 CZGJXJDEBKRKBP-UHFFFAOYSA-N 315.377 1.163 0 40 DDAB COC(=O)[C@H](NC(=O)c1cc(C)no1)c1cc(F)ccc1F 69530494 XIVRHUMZNBPNDC-GFCCVEGCSA-N 310.256 1.905 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)CCCOc2ccccc2F)CC1 69898291 UOSMPRMFWPDTTQ-CQSZACIVSA-N 324.396 1.510 0 40 DDAB CN(C)C(=O)CNC(=O)NC1(Cc2ccccc2)CCCC1 97114141 IEJGRQAOIACRHX-UHFFFAOYSA-N 303.406 1.929 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2ccc(Br)cn2)C1 72343678 CDWXTHJSAUZRPL-SECBINFHSA-N 319.224 1.983 0 40 DDAB in-vitro COc1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 75109297 CACKQCMPKZKAJE-UHFFFAOYSA-N 319.390 1.091 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H]2CCC[C@@H]21 89819253 LDCKWLYNGJGDEU-KBPBESRZSA-N 318.421 1.562 0 40 DDAB NC(=O)C1(NC(=O)[C@H]2SCCc3ccccc32)CCCC1 76066073 HWHVZBRAPNOYGR-ZDUSSCGKSA-N 304.415 1.931 0 40 DDAB O=C(O)c1ccc(F)c(S(=O)(=O)NCc2ccncc2)c1 21790681 DVNKXIWPWITJSG-UHFFFAOYSA-N 310.306 1.397 0 40 DDAB COC(=O)c1oc(CN2C(=O)NC3(CCCC3)C2=O)cc1C 31607014 LTQXWXXDHYJZIC-UHFFFAOYSA-N 306.318 1.739 0 40 DDAB N[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218568882 ICNAIGMPSMZXNG-PMPSAXMXSA-N 321.373 1.455 0 40 DDAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccccc1CO 78979003 OGOIXNCIKZQVRZ-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB C[C@]1(C(=O)N2CCOCC2)CN(Cc2ccccc2F)CCO1 72379398 SHPWYOUSTUKXRZ-QGZVFWFLSA-N 322.380 1.275 0 40 DDAB CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1C(=O)O 71285435 TYCBEKVUELNSMY-OLZOCXBDSA-N 316.357 1.874 0 40 DDAB O=C(CNC1CC1)Nc1ccc(I)cc1 37386681 BAFPSSSLBVOSLT-UHFFFAOYSA-N 316.142 1.982 0 40 DDAB O=C(CNc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1 32187411 VOEBDHADOPALDP-VIFPVBQESA-N 302.783 1.055 0 40 DDAB Cn1c(=O)c2c(ncn2Cc2ccc(Cl)s2)n(C)c1=O 48655632 HNVJCUZZYBBXBY-UHFFFAOYSA-N 310.766 1.197 0 40 DDAB CN1CC(=O)N(C(=O)COc2ccccc2)c2ccccc2C1=O 40385889 OZEITZATPZCTJQ-UHFFFAOYSA-N 324.336 1.711 0 40 DDAB O=C(c1cc(N2CCOCC2)on1)N1CCc2ccccc2C1 224079643 FIQJPLIHMLDXLL-UHFFFAOYSA-N 313.357 1.710 0 40 DDAB CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2)cn1 133990921 SXXSSOYGYMEVSW-UHFFFAOYSA-N 312.782 1.997 0 40 DDAB COC(CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O)OC 136773135 FAYJOPYMVQVJHF-ZDUSSCGKSA-N 312.797 1.996 0 40 DDAB CN(c1ccc(CC(=N)N)cc1)S(=O)(=O)c1ccccc1 225008520 FMQAAWCXMSNPQT-UHFFFAOYSA-N 303.387 1.990 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)Cn1cc(Cl)c(=O)[nH]c1=O 81273928 WSOCLZZMDLAKJX-UHFFFAOYSA-N 317.732 1.863 0 40 DDAB CCn1c([C@H]2CCCN2CCS(N)(=O)=O)nc2ccccc21 84131486 FZJLAWLNMAEOQE-CQSZACIVSA-N 322.434 1.482 0 40 DDAB COCCCn1c(SCc2cccc(Cl)n2)n[nH]c1=O 96435646 ODLJAXQAUCOAPD-UHFFFAOYSA-N 314.798 1.949 0 40 DDAB CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2cnc(C)cn2)O1 96186639 GIIPRWQBUXLFCP-SNPRPXQTSA-N 305.378 1.584 0 40 DDAB Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC3CC3)C2)cs1 96064855 RYOVUYGOGOMAGF-GDBMZVCRSA-N 321.446 1.711 0 40 DDAB O=C(Nc1cnn([C@@H]2CCOC2)c1)[C@H]1COc2ccccc2O1 96123112 BQJOJGQPCRQYHK-IUODEOHRSA-N 315.329 1.623 0 40 DDAB CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 96183820 YWSZLJWBNREMPO-UONOGXRCSA-N 321.446 1.054 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223268 JPKBPUGMDZUSGE-WFASDCNBSA-N 323.372 1.333 0 40 DDAB CC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@@H](CCC(C)C)C1 96486926 KFQNHSBYUKYSCC-HOTGVXAUSA-N 310.438 1.909 0 40 DDAB C[C@H](Nc1ccc2nnnn2n1)[C@H](O)c1ccc(F)c(F)c1 96452696 ZUXKXWIXFWHNRE-CPFSXVBKSA-N 306.276 1.332 0 40 DDAB Cn1cc(N2C[C@@]3(CCN(Cc4ccco4)C3)CC2=O)cn1 96239297 OQAGMMDMKQBRPC-INIZCTEOSA-N 300.362 1.642 0 40 DDAB COc1ccc(OC)c(CC(=O)NCC(=O)NC(C)(C)C)c1 96972174 GMPJOACEAWHJFU-UHFFFAOYSA-N 308.378 1.277 0 40 DDAB COc1cccc(CC(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OC)c1 96041400 RADWRGXBBUBMTC-ZMSDIMECSA-N 305.374 1.643 0 40 DDAB O=C(c1ccoc1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 247887131 XIGRJLWWHHQXQF-CYBMUJFWSA-N 315.329 1.522 0 40 DDAB CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 247935280 LCRLKYWTJBXCKR-ZDUSSCGKSA-N 318.402 1.554 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21 257269188 MOXPLXFFCZHNMW-VNHYZAJKSA-N 324.388 1.254 0 40 DDAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 257222530 DTQJPZMBDNIYOD-AWEZNQCLSA-N 318.421 1.827 0 40 DDAB CCc1noc(CCC(=O)N2CC[C@H](c3[nH]ncc3C)C2)n1 257264414 LUGQENFDXXAWKC-NSHDSACASA-N 303.366 1.612 0 40 DDAB Cc1nccc(C(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)n1 257287616 PQSLYDDDZPWJLA-HZSPNIEDSA-N 324.388 1.538 0 40 DDAB CCCn1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)n1 257253617 JZPLXKHQFFJNND-HOCLYGCPSA-N 307.394 1.703 0 40 DDAB CCOC[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252515973 OZRFEMVEMOUZPJ-MJBXVCDLSA-N 317.838 1.975 0 40 DDAB Cc1cc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)on1 257337669 YTVNXLNAGLMWCR-CQSZACIVSA-N 316.361 1.658 0 40 DDAB CC(C)(C(=O)N1CCC(Cc2ccncc2)CC1)n1cncn1 257291671 QICJWZADOSLZHI-UHFFFAOYSA-N 313.405 1.890 0 40 DDAB COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3sccc3C)C[C@@H]21 253599347 OGBWSWBYTRLDAS-MGPQQGTHSA-N 324.446 1.266 0 40 DDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)Cn3cccn3)C2)n1 257329027 XIBZGEOULVXYIF-OAHLLOKOSA-N 313.405 1.714 0 40 DDAB CC(C)Oc1cccc(C(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)n1 262837129 RSJSUDIFSXKQGY-FZMZJTMJSA-N 322.361 1.478 0 40 DDAB COc1cccc(C[C@H](C)NC(=O)N2CC(=O)N(C3CC3)C2)c1 576908408 CPZKBWVKXIQSII-LBPRGKRZSA-N 317.389 1.600 0 40 DDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575402717 FYVKXHUFDMSAFO-CQSZACIVSA-N 320.433 1.807 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@@]3(CCCO3)C(=O)C2)on1 585288633 GBPOCNQFWKREAK-INIZCTEOSA-N 306.362 1.837 0 40 DDAB Cn1c(SCC(=O)Nc2nccs2)nnc1C(F)F 96008367 WAVUCJWLSTVXDG-UHFFFAOYSA-N 305.335 1.940 0 40 DDAB COCC(=O)N[C@@H](c1cccc(OC)c1OC)c1nccn1C 12221710 QYQRMBBWRXWZLS-AWEZNQCLSA-N 319.361 1.289 0 40 DDAB C=COCCNS(=O)(=O)c1cc(C)c2[nH]c(=O)cc(C)c2c1 12445794 OBPYVBPOFPUYSB-UHFFFAOYSA-N 322.386 1.583 0 40 DDAB Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c2n1 12338260 MJWZUSRHIMHKNZ-UHFFFAOYSA-N 303.709 1.170 0 40 DDAB CC(C)C(=O)N1CC[C@@H](NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)C1 161611330 GOSWGLIYTPLJBI-JALIKCBVSA-N 307.438 1.280 0 40 DDAB CN(C)c1cc(N2CCN(C(=O)C3CCCCC3)CC2)cnn1 206723646 CALXXEFPMHKXAS-UHFFFAOYSA-N 317.437 1.772 0 40 DDAB Cc1ccnc(N2CCN(C(=O)Cc3ccccc3O)CC2)c1 151298618 PGPQKOUBBGLHQN-UHFFFAOYSA-N 311.385 1.987 0 40 DDAB Cc1cnc([C@H]2COCCN2C(=O)CN2CCCCCC2=O)[nH]1 1848352312 YQNPZCBJKWQTKD-CYBMUJFWSA-N 320.393 1.021 0 40 DDAB Cc1nnc(CN2CCC(Oc3ncc(Cl)cn3)CC2)n1C 1888843459 WRUMPRIKBHMUAU-UHFFFAOYSA-N 322.800 1.610 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CCC2)n(C)n1 2056225181 GMEMMDWNQOZXGT-BZNIZROVSA-N 302.378 1.002 0 40 DDAB O=C(CC1CCOCC1)N1CC[C@H]2C[C@]21C(=O)NC1CCC1 2056225373 OSYAYOICRPGKOD-SUMWQHHRSA-N 306.406 1.463 0 40 DDAB Cc1ccc(-c2nnn(Cc3nc4ccccc4c(=O)[nH]3)n2)cc1 6658554 VJOPTJSPUBHHDF-UHFFFAOYSA-N 318.340 1.933 0 40 DDAB O=S(=O)(NCc1cn(-c2ccsc2)nn1)c1cccnc1 575617440 ARAVYYTYEKDUOW-UHFFFAOYSA-N 321.387 1.202 0 40 DDAB CC(C)Cn1cc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cn1 96192220 SEJCZOMSOUYRHJ-CYBMUJFWSA-N 318.421 1.951 0 40 DDAB CC(=O)N[C@@H]1C[C@@H](c2nc(-c3cccnc3)nn2C)CC[C@H]1O 2332241692 VZHLYVBUUYVERV-IACUBPJLSA-N 315.377 1.010 0 40 DDAB CCNC(=O)NC(=O)CN(C)Cc1ccc(Br)o1 30214316 HLNZIDUHPZHRIE-UHFFFAOYSA-N 318.171 1.320 0 40 DDAB Nc1ncc(S(=O)(=O)Nc2cccc3cccnc23)cn1 50632941 LBGBEAHSMBEQFT-UHFFFAOYSA-N 301.331 1.408 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 40465634 YDLIWTAKVQPFDY-ZDUSSCGKSA-N 318.373 1.599 0 40 DDAB Nc1nc(Cl)cc(N2CCC(C(=O)N3CCCC3)CC2)n1 40497777 ZLGZSZLUQOVFDK-UHFFFAOYSA-N 309.801 1.551 0 40 DDAB Cc1ccc(-c2nnc(CCC(=O)NS(C)(=O)=O)o2)cc1 40543833 YXLCTMQCPWCJHO-UHFFFAOYSA-N 309.347 1.053 0 40 DDAB CC(=O)NC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 51280844 NFQZDJYXECSDAU-CVEARBPZSA-N 301.390 1.853 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc2c1=O 32393148 QBCOPYIRWUXYMH-CMPLNLGQSA-N 315.373 1.657 0 40 DDAB CS(=O)(=O)NC[C@@H]1CCCCN1c1nc2ccccc2o1 51993309 FZCCPHDYLVXUIS-NSHDSACASA-N 309.391 1.736 0 40 DDAB CCN(CC)Cc1ccccc1CNC(=O)[C@H](C)NC(N)=O 52397172 HVUNVFIOHZEHAZ-LBPRGKRZSA-N 306.410 1.201 0 40 DDAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ncccc1O 22967582 BKZUNJQIIDYPCE-UHFFFAOYSA-N 313.235 1.606 0 40 DDAB COc1ccc2nnc(CCC(=O)Nc3ccccc3F)n2n1 71284633 BBBINZFMYPRAHK-UHFFFAOYSA-N 315.308 1.843 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccn2)cc1 42954081 SXUFXIMHUJPBFR-UHFFFAOYSA-N 306.347 1.051 0 40 DDAB O=C(c1cccs1)N1CCN(Cc2nnnn2C2CC2)CC1 24677921 KPZNKEHOGUUEJH-UHFFFAOYSA-N 318.406 1.028 0 40 DDAB O=C1Nc2ncccc2O[C@H]1CCN1C(=O)c2ccccc2C1=O 1395257 OIIVKKSTILGYLO-ZDUSSCGKSA-N 323.308 1.467 0 40 DDAB O=C1Nc2ncccc2O[C@@H]1CCN1C(=O)c2ccccc2C1=O 1395258 OIIVKKSTILGYLO-CYBMUJFWSA-N 323.308 1.467 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](NCCO)C(=O)O 4280153 BFZZHNNQGWGQFM-LLVKDONJSA-N 300.742 1.012 0 40 DDAB COc1cccc(CS(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 72287562 CKHKQINNPXWILF-DZGCQCFKSA-N 324.446 1.694 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCO1 25768887 OQOUYVGUZPTYQY-GFCCVEGCSA-N 324.402 1.223 0 40 DDAB C[C@@H]1OCC[C@@H]1NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 108371883 CWLDCIIEARPQCI-UAGQMJEPSA-N 318.417 1.396 0 40 DDAB COc1ncnc(N(C)C)c1NC(=O)N1C[C@H](C)O[C@H](C)C1 84705894 QXIRGHDDMKXPSQ-AOOOYVTPSA-N 309.370 1.192 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)NC3CCC(O)CC3)C2)n1 57774226 XRUXZNKHCOXYHI-PNESKVBLSA-N 308.382 1.571 0 40 DDAB CN1CCN(C(=O)c2ccn(C)c(=O)c2)[C@@H](c2ccccc2)C1 44605246 SMNVMCDESUDJSB-MRXNPFEDSA-N 311.385 1.514 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1 10037734 VGGUBINKYSJMFO-UHFFFAOYSA-N 317.776 1.991 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cccnc3)ccc21 12599757 ISVGOZNHGRFPSB-UHFFFAOYSA-N 324.340 1.035 0 40 DDAB O=C([C@H]1COc2ccccc2C1)N1CCN(c2cnccn2)CC1 44896650 ZPAHPAHBVSDVQC-OAHLLOKOSA-N 324.384 1.377 0 40 DDAB Cc1nnc2s/c(=C\c3ccccc3Br)c(=O)n12 9187946 QUZLWVLIVIYXOL-POHAHGRESA-N 322.187 1.770 0 40 DDAB O=c1ccccn1CCCCNC[C@H]1CNc2ccnn2C1 58296335 NFCGIQVOOCCSON-AWEZNQCLSA-N 301.394 1.157 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccccc1F 44955343 KEYFVXBECMORMF-BXUZGUMPSA-N 306.341 1.444 0 40 DDAB Cc1cc(=O)n2nc(NC[C@@H]3CCN(C4CC4)C3)sc2n1 44933855 FBZHAZLYPBTJKR-JTQLQIEISA-N 305.407 1.356 0 40 DDAB O=C(C[C@@H](C(=O)O)N1CCOCC1)c1ccc2c(c1)CCCC2 109994634 VIYFBFMJRYUJEV-INIZCTEOSA-N 317.385 1.924 0 40 DDAB CC(C)(C)OC(=O)NCCNC(=O)CCc1ccccc1O 58341907 MLZGCGNYGXYCFU-UHFFFAOYSA-N 308.378 1.966 0 40 DDAB CN1C(=O)C2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 106802196 LCWAAAFZWKNQJP-UHFFFAOYSA-N 310.401 1.930 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cccc(F)c1 58416867 QTNNAVDWKWCCLK-UHFFFAOYSA-N 301.277 1.894 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2csc(Br)c2)C1 36324014 ZSKANMCNUHYMME-ZETCQYMHSA-N 317.208 1.848 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H](C)n1cccn1 28442404 XLKQMUOSCDMEGP-LLVKDONJSA-N 307.375 1.795 0 40 DDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 45540523 TUFMJUMOUJSSMR-ZUZCIYMTSA-N 307.350 1.351 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccncc1 45666041 NKFYMKRFIIWWST-KBPBESRZSA-N 302.378 1.597 0 40 DDAB COc1ccc(OC)c([C@H]2CCCN2CCC(=O)NC(N)=O)c1 11436685 JOURCXNSZZZHTR-CYBMUJFWSA-N 321.377 1.426 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)c1cncnc1)CC2 108534678 TYULBSYBYVPIQB-UHFFFAOYSA-N 302.378 1.341 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2cccc[n+]2[O-])C1 3263445 NEUSIODWTQPQDU-LBPRGKRZSA-N 324.402 1.214 0 40 DDAB O=C(c1cnccn1)N1CCC[C@@H]1c1nnc2n1CCCCC2 46335024 XVZCBYNGIKNDOQ-CYBMUJFWSA-N 312.377 1.772 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1 60348845 CYVUODVKRASPLJ-CQSZACIVSA-N 311.403 1.911 0 40 DDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(N)=O)C(C)C)cc1 2646020 KEVWQBVAEWSGQG-AAEUAGOBSA-N 306.362 1.166 0 40 DDAB O=C(Nc1ccncc1)N[C@H]1CCCc2c1cnn2CCO 47125392 MTQUMWNWZZYHIQ-ZDUSSCGKSA-N 301.350 1.470 0 40 DDAB COc1ccc2c3c1O[C@]1(C)[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]341 100393595 OMGSJARTUSJECS-QGKMCXCHSA-N 313.397 1.891 0 40 DDAB biogenic,in-vitro CC(C)(C)n1ncc2c(N[C@@H]3CCCN(C(N)=O)C3)ncnc21 97108333 SATFLADGNUTKMZ-SNVBAGLBSA-N 317.397 1.536 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 60512662 SRBSRGADQFFEGC-AWEZNQCLSA-N 324.446 1.956 0 40 DDAB CCn1nc2c(cc1=O)CN(c1ncnc3sccc13)CC2 72302173 JPHHZXXWLNTPHG-UHFFFAOYSA-N 313.386 1.831 0 40 DDAB Cc1noc(C)c1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 63489215 GIKYCZWHURUZON-SECBINFHSA-N 304.393 1.150 0 40 DDAB CN(C(=O)CN1CCO[C@@H](c2nccs2)C1)c1nccs1 97200023 FORKRVQOAZUJEX-SNVBAGLBSA-N 324.431 1.636 0 40 DDAB COC(=O)c1ccc(COC(=O)[C@H](C)NC(=O)c2ccco2)o1 49579176 JDPCHTJKTUNUDN-VIFPVBQESA-N 321.285 1.521 0 40 DDAB CS(=O)(=O)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4158638 QSADFVGADVFAMF-LLVKDONJSA-N 323.823 1.293 0 40 DDAB Cc1nnc(COC(=O)C[C@@H]2Sc3ccccc3NC2=O)o1 5288918 YTOKBJUBHMIIRU-NSHDSACASA-N 319.342 1.924 0 40 DDAB O=C(NO[C@@H]1CCCCO1)C1CCN(C(=O)c2ccoc2)CC1 65474302 KRCXYRXYHOGGLD-CQSZACIVSA-N 322.361 1.706 0 40 DDAB CC1CCN(CCNC(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 65496150 ZCGKHOCWRYXNNA-HZPDHXFCSA-N 312.454 1.809 0 40 DDAB CC(=O)[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1 6412656 FZCORENRWGUQHN-ZDUSSCGKSA-N 317.370 1.767 0 40 DDAB Cc1cc(C)cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1 4502493 WWDAEXSTXJECTK-UHFFFAOYSA-N 312.435 1.842 0 40 DDAB CCOC(=O)NC(=O)CSc1nc(-c2ccccc2)cn1N 14360124 HULSMFZQGWPFER-UHFFFAOYSA-N 320.374 1.629 0 40 DDAB O=C(Cn1cnc2ccsc2c1=O)NCc1cccs1 14372553 VCPFFGMBQSURTP-UHFFFAOYSA-N 305.384 1.836 0 40 DDAB CC(C)NC[C@H](O)COc1ccc([C@H](O)COCC2CC2)cc1 5760467 NDOYCLDFWYZWIO-FUHWJXTLSA-N 323.433 1.884 0 40 DDAB O=C1CN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CCN1 15479745 IYRBQTDNDQZDTJ-MRXNPFEDSA-N 301.390 1.172 0 40 DDAB NC(=O)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 15548644 RVZOUFJXQXQRDJ-CYBMUJFWSA-N 321.427 1.952 0 40 DDAB CN(C)C(=O)c1cncc(-c2ccc(F)c3c2O[C@@H](CN)C3)n1 67740865 YGQMIHUQDLDPAV-SECBINFHSA-N 316.336 1.247 0 40 DDAB Cn1ccnc1CNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 96461541 LUKFVQQTZZUMEH-LLVKDONJSA-N 318.356 1.032 0 40 DDAB Cc1cccn2cc(CN3CCO[C@H](Cn4cccn4)C3)nc12 69392211 KCSKOZYONGOFRC-INIZCTEOSA-N 311.389 1.740 0 40 DDAB O=C(CCCN1C(=O)CNC1=O)OCCOc1ccc(F)cc1 8327407 ZYRHRPSURTXANI-UHFFFAOYSA-N 324.308 1.080 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306132699 LPNLCZOXYUTHIS-CYBMUJFWSA-N 322.430 1.831 0 40 DDAB CC(C)[C@H](Sc1ccccc1)C(=O)NCCS(N)(=O)=O 69516928 CJLVTWMLRYLUBS-LBPRGKRZSA-N 316.448 1.208 0 40 DDAB CCCc1noc(CCC(=O)N2CCC[C@H]2Cn2cccn2)n1 71866416 YVFCYAOMPVIJPM-ZDUSSCGKSA-N 317.393 1.842 0 40 DDAB O=C(CCNC(=O)c1cnc2ccccc2n1)Nc1ccncc1 69621855 ZHWMRFQNAQAOSP-UHFFFAOYSA-N 321.340 1.783 0 40 DDAB Cc1ccccc1CC(C)(C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 69696536 NNWVLWOAJYEEMU-CQSZACIVSA-N 324.446 1.802 0 40 DDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(F)cc1 8598697 TYBSMVNRPQSEFJ-UHFFFAOYSA-N 315.308 1.849 0 40 DDAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)NC[C@H]1CCCO1 8756546 GDDYWSQMKMCSRK-GXSJLCMTSA-N 310.423 1.468 0 40 DDAB O=C(Cc1cc(-c2ccccc2)on1)N1CCOC[C@@H]1CCO 92435698 MAEFDVGCYAJWLZ-HNNXBMFYSA-N 316.357 1.494 0 40 DDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cccnc1 87034276 ZNEFLKBYWLIAPF-CYBMUJFWSA-N 314.393 1.612 0 40 DDAB Cc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1 95406554 BGFRDHAKMRHRCS-FQEVSTJZSA-N 312.416 1.952 0 40 DDAB CCCc1cc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)sc1C 72290662 RIQSADRQVBBODF-HNNXBMFYSA-N 321.402 1.433 0 40 DDAB CC(C)Cc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)[nH]n1 72234891 CODLXCPJEKQLBH-ZDUSSCGKSA-N 302.382 1.677 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)NC[C@@H](OC)c1ccccc1 72270060 RKKMUBNBKZEOJW-UONOGXRCSA-N 305.378 1.294 0 40 DDAB NC(=O)C1(NCC(=O)N2CCC[C@H]2c2cccs2)CCCC1 89799967 DPVCZIBGBLRHFX-LBPRGKRZSA-N 321.446 1.799 0 40 DDAB Cc1cnc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 25900044 IYCITWFAHRBFDO-VIFPVBQESA-N 303.409 1.062 0 40 DDAB CNc1ccc(C(=O)N2CCC([C@H]3CNC(=O)C3)CC2)cn1 1551707765 IVZLOKUXICVPDL-CYBMUJFWSA-N 302.378 1.112 0 40 DDAB COCCNC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640271 FNEGSVKLOMYUQV-LLVKDONJSA-N 306.284 1.684 0 40 DDAB CCCCNc1ncc(CN[C@@H](Cc2c[nH]cn2)C(=O)O)cn1 218760912 ZTAARXLPRIZHBG-ZDUSSCGKSA-N 318.381 1.197 0 40 DDAB Cc1cn(C)nc1C(=O)NCCc1ccn(-c2ccccc2)n1 1536561798 JEJVVVWXYMBZJZ-UHFFFAOYSA-N 309.373 1.887 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](CN(C(=O)CN)C2CC2)C1 79391158 AITCCNADPFYHEV-GFCCVEGCSA-N 311.426 1.583 0 40 DDAB Cc1cc(=O)oc2ccn(CC(=O)Nc3ccccn3)c(=O)c12 1547206283 ACTJNIDNMMMMJY-UHFFFAOYSA-N 311.297 1.297 0 40 DDAB Cc1nc(NC(=O)N2CC[C@@H](CO)C2)ccc1Br 185668962 LGLDQSXFDQQMKT-SECBINFHSA-N 314.183 1.999 0 40 DDAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 76391179 HESSGUMAGVLNDK-RAIGVLPGSA-N 313.806 1.747 0 40 DDAB CN(C)c1ccc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc1 72368538 OUIOFIANTGXOIZ-UHFFFAOYSA-N 313.405 1.901 0 40 DDAB COC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218421826 XSXFOGHGWCUQCY-RWMBFGLXSA-N 303.811 1.442 0 40 DDAB CCOC(=O)[C@H](Cc1c(C)[nH]c2ccccc2c1=O)C(=O)O 217437333 UCRQMWDGMHUAAE-GFCCVEGCSA-N 303.314 1.643 0 40 DDAB CCOc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 78788823 NMBXYGXSFQFURK-HUUCEWRRSA-N 319.405 1.152 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)c1 77939918 ULPJKKHIYJLPED-DZGCQCFKSA-N 304.390 1.909 0 40 DDAB Cc1ccc(S(=O)(=O)NNc2ccccc2)cc1C(=O)O 226858754 KFJDWXGJVWXKTG-UHFFFAOYSA-N 306.343 1.999 0 40 DDAB CCn1ncc(NC(=O)[C@@H](C)n2cc3c(n2)c(C)nn3C)c1C 40715028 RTVAAAZOQZIVJT-LLVKDONJSA-N 315.381 1.803 0 40 DDAB CCCCC(=O)Nc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1 45953879 JWOIZSROHRJJFF-LLVKDONJSA-N 303.362 1.654 0 40 DDAB CC[C@H](CCO)NC(=O)C(=O)Nc1cc(C)nn1C(C)(C)C 530929890 VVYSDZINASYGCI-LLVKDONJSA-N 310.398 1.162 0 40 DDAB O=C(O)COc1ccc(NS(=O)(=O)c2ccccc2)cc1 41538852 CMGHAFCKCFKLQU-UHFFFAOYSA-N 307.327 1.951 0 40 DDAB CO[C@H](C)c1noc(CN(C)C(=O)c2cc(C(C)C)n(C)n2)n1 81384943 CATZCXAURSQTSZ-SNVBAGLBSA-N 321.381 1.906 0 40 DDAB CC[C@H](C(=O)NC[C@@H](O)c1ccccc1F)N1CCCC1=O 96445850 WDRYRTSOHFZMFD-ZIAGYGMSSA-N 308.353 1.376 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2ccccn2)Cc2cnn(C)c21 96198251 HNIVNMJHYBSFDC-ZDUSSCGKSA-N 300.362 1.591 0 40 DDAB COC[C@@H]1CN(C(=O)COC2CCCC2)Cc2cncn2C1 96209363 GVLDRZICWLHCGU-CYBMUJFWSA-N 307.394 1.447 0 40 DDAB CN(CCOC[C@@H]1CCCO1)[C@H](C(N)=O)c1cccc(F)c1 96421105 YIRYJRGSMSOICZ-GJZGRUSLSA-N 310.369 1.480 0 40 DDAB CC(C)N1C[C@@H]2COC[C@]2(CC(=O)NCc2cccnc2)C1 96206405 JMYWBZDORJURQJ-WBVHZDCISA-N 303.406 1.445 0 40 DDAB CC(C)N1CCOC[C@]2(CN(Cc3cccnc3)CCO2)C1 96049735 YUYRUXNAYWQMHP-KRWDZBQOSA-N 305.422 1.393 0 40 DDAB CN(C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 96181156 BBPACNFCPSVLKF-BXUZGUMPSA-N 309.435 1.335 0 40 DDAB C[C@H](CN1CCOCC1)OC(=O)c1coc(Br)c1 96502348 ADAHXPZBRWGAOY-SECBINFHSA-N 318.167 1.920 0 40 DDAB O=C(c1cccs1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122043 AGDWKZYBGBZGGZ-UHFFFAOYSA-N 311.384 1.781 0 40 DDAB COc1c(CNc2cnc3c(c2)c(C)nn3C)c(C)nn1C 96492656 QPVCGDMVNBCTKX-UHFFFAOYSA-N 300.366 1.939 0 40 DDAB Cn1cnc2c1[C@H](C(=O)O)CN(C(=O)Cc1ccc(F)cc1)C2 96067823 NHCRALDWGULYNT-GFCCVEGCSA-N 317.320 1.312 0 40 DDAB Cc1cc(CN2CC3(CC[C@@H](CNC(=O)C4CC4)CO3)C2)no1 247896299 HKIAIEPQLMMXCH-ZDUSSCGKSA-N 319.405 1.490 0 40 DDAB Cc1cc(C(F)(F)F)nc([C@@]2(C)CCCN2CC(N)=O)n1 257224001 DZWKFIKJVVUICV-GFCCVEGCSA-N 302.300 1.600 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc3ccccc3n2)CCO1 257332994 XZPIUOQFYZOXRQ-QGZVFWFLSA-N 313.357 1.212 0 40 DDAB CCc1nnsc1C(=O)N1CCC[C@H]1c1ccnc(O)n1 257315738 VCOQDRWWESOVOQ-JTQLQIEISA-N 305.363 1.573 0 40 DDAB C[C@@]1(C(N)=O)CN(Cc2cccc(Br)c2)CCO1 257257866 KRKGINAZVYPPAJ-ZDUSSCGKSA-N 313.195 1.525 0 40 DDAB CCc1nnsc1C(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257294330 QTQREBIWFZPSHQ-CMPLNLGQSA-N 322.434 1.574 0 40 DDAB Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)co1 257225192 FFGAGPLOANMNBB-RBSFLKMASA-N 317.345 1.421 0 40 DDAB Cn1ncc2c(=O)n(CC(=O)C(C)(C)c3ccccc3)cnc21 280006645 SEIJVWJBEYHGJZ-UHFFFAOYSA-N 310.357 1.677 0 40 DDAB O=C(c1ccco1)N1CCC(n2cnc3ncccc3c2=O)CC1 390832075 XBAUMONYGGHIAA-UHFFFAOYSA-N 324.340 1.862 0 40 DDAB O=S1(=O)CC[C@H](NC(=S)Nc2ccc3ncccc3c2)C1 575424462 LIXNQXQXVVADTI-LBPRGKRZSA-N 321.427 1.708 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[C@@H]2C1 585107970 ODDHQTFNNSZJCQ-ZIAGYGMSSA-N 307.369 1.404 0 40 DDAB COc1ncc(CN2CC[C@H](Cc3ccccc3)[C@H](O)C2)cn1 585278247 AGRCYNDZCVCCPS-IAGOWNOFSA-N 313.401 1.911 0 40 DDAB CC1(C)[C@H](CNS(=O)(=O)c2cccc(C(=O)O)c2)C1(F)F 663427009 QPYCQZCOJILMCG-JTQLQIEISA-N 319.329 1.954 0 40 DDAB Cc1occc1C(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093087 BGDUVZPOWDETLD-AWEZNQCLSA-N 312.316 1.918 0 40 DDAB CN1CC[C@]2(CN(C(=O)Cc3ccccn3)CC(F)(F)C2)C1=O 585093463 XZZXJULAUXHYQI-HNNXBMFYSA-N 323.343 1.340 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)N[C@H]1CCCS(=O)(=O)C1 69743267 DTTGFWIOWQPXKW-FGEFZZPRSA-N 315.341 1.671 0 40 DDAB Cc1nnc(NC(=O)CN2CCCC[C@H]2Cn2cccn2)s1 70036915 JIULJUKLDVXNDP-LBPRGKRZSA-N 320.422 1.536 0 40 DDAB Cc1cc(Nc2cnccn2)nc([C@H]2CCCCN2CCO)n1 72382372 XKLXUNOJRYNUKV-CYBMUJFWSA-N 314.393 1.838 0 40 DDAB CCOc1ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc1 44979165 XDUUBLCOPPJKIO-UHFFFAOYSA-N 314.407 1.742 0 40 DDAB Cc1cc(Cl)ccc1CN1CC[C@@H](NS(C)(=O)=O)C1 136203613 IGZIDEVGBJUAER-CYBMUJFWSA-N 302.827 1.772 0 40 DDAB CN(C)CCN1C[C@H](C(=O)NCCCc2ccccc2)CC1=O 74167145 IMOUTXNWRRHMDV-MRXNPFEDSA-N 317.433 1.146 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)s1 74803323 GOKHXSGASSNTFM-SECBINFHSA-N 314.432 1.352 0 40 DDAB NC(=O)Cn1ccc(NCc2nc(-c3cccs3)no2)n1 58155839 VJYXAEWYJKJROI-UHFFFAOYSA-N 304.335 1.092 0 40 DDAB O=C1CC(=O)N2C(c3ccc4c(c3)OCCO4)=CSC2=N1 5678019 NTWVOHMVECPEAJ-UHFFFAOYSA-N 302.311 1.618 0 40 DDAB O=C(NC1CC1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(F)cc1 12182623 HCMNWIHMAJLCPZ-ZDUSSCGKSA-N 310.350 1.033 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 12902637 KRNRUCVHDCTEBF-LLVKDONJSA-N 314.407 1.140 0 40 DDAB Cc1nc(C[C@@H](NC(=O)c2ccno2)c2ccccc2)cc(=O)[nH]1 19285421 OCUIMNNIGXGXPO-CQSZACIVSA-N 324.340 1.780 0 40 DDAB CN(C)C(=S)SN[C@H](Cc1ccc(O)cc1)C(=O)O 19419301 LOQHAFAHYCAHIF-SNVBAGLBSA-N 300.405 1.472 0 40 DDAB O=C(/C=C(/Cc1ccccc1)Nc1ncn[nH]1)Nc1ncn[nH]1 206836811 SUQBAGJBPRNXMQ-XFFZJAGNSA-N 310.321 1.100 0 40 DDAB COc1ccc(OC)c2sc(N3CCN(C(C)=O)CC3)nc12 5182553 GCOVCNAFFJDPSC-UHFFFAOYSA-N 321.402 1.982 0 40 DDAB NC(=O)[C@@H]1CCCN1c1ncc(Br)cc1Cl 236241019 NCWXZIYGJSNSDO-QMMMGPOBSA-N 304.575 1.952 0 40 DDAB Cn1cnc(S(=O)(=O)NCCc2ccccc2F)c1Cl 27955291 PNTMWXBKUVZNEP-UHFFFAOYSA-N 317.773 1.734 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565550776 FEJNXWNZVCEJTH-IPYPFGDCSA-N 314.345 1.256 0 40 DDAB CNC(=O)Cn1c(CO)cnc1SCc1cccc(F)c1 9827365 GBSJCPPEUXTGTI-UHFFFAOYSA-N 309.366 1.553 0 40 DDAB CCC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745980 WYMMGDUFLNONHT-UHFFFAOYSA-N 322.434 1.605 0 40 DDAB O=C(Cc1ccsc1)NCCn1nnc2ccccc2c1=O 225797938 KEBLOHJUBZAUOJ-UHFFFAOYSA-N 314.370 1.212 0 40 DDAB COc1ccccc1S(=O)(=O)NCCn1nc(C)cc1C 44159164 KEQOWQASOORHQL-UHFFFAOYSA-N 309.391 1.487 0 40 DDAB C[C@@H]1CN(c2cc(C3CC3)ncn2)CCN1Cc1cnn(C)c1 2298029947 DAKVLMZVGWMSKA-CYBMUJFWSA-N 312.421 1.798 0 40 DDAB Cn1ncc2c(N3CC(c4nnc5ccccn45)C3)ncnc21 2298230474 KQOWEXAZSTVVKH-UHFFFAOYSA-N 306.333 1.010 0 40 DDAB CN1CCN(CCCNC(=O)Nc2ccc(F)c(F)c2)CC1 40023987 ZOEVUCBKGOBCSJ-UHFFFAOYSA-N 312.364 1.724 0 40 DDAB O=C([C@@H]1COCCO1)N1CCC(c2nc3ccccc3[nH]2)CC1 30557005 ZQUSNKZQPGFLMY-HNNXBMFYSA-N 315.373 1.684 0 40 DDAB O=C(c1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1 40498081 GQSSXRZEDCKQRZ-UHFFFAOYSA-N 310.357 1.374 0 40 DDAB O=C(Cc1csc(-c2ccco2)n1)N[C@@H]1CCCCNC1=O 40522226 YKRAEMGBUNNLAS-LLVKDONJSA-N 319.386 1.731 0 40 DDAB COc1cc(CNC[C@H](C)O)ccc1OCc1nc(C)no1 32617154 ACOXOTMAAQZVBI-JTQLQIEISA-N 307.350 1.436 0 40 DDAB CC(=O)N[C@H](CC(=O)N1CCO[C@@H](C)C1)c1ccc(C)cc1 22281850 XCMWMNFNZKUSCF-XJKSGUPXSA-N 304.390 1.810 0 40 DDAB Cc1ccc([C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)cc1 41456803 AJPGBSNTMCNIHV-HNNXBMFYSA-N 323.352 1.466 0 40 DDAB CN(Cc1ccccc1N1CCCC1)C(=O)c1nccnc1N 42000075 IRBUDFDOFOPPAW-UHFFFAOYSA-N 311.389 1.931 0 40 DDAB COc1cc2c(cc1CNCC(=O)N1CCCC1)O[C@@H](C)C2 42207091 RGVFGSDZDCDINX-LBPRGKRZSA-N 304.390 1.731 0 40 DDAB C[C@H]1CCc2ccccc2N1Cc1nc2c(cnn2C)c(=O)[nH]1 54417751 ZTUAVOFTHVSMMB-NSHDSACASA-N 309.373 1.998 0 40 DDAB CN1C(=O)C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O 23511088 QGNGDIVGNWNSLQ-ZDUSSCGKSA-N 307.781 1.219 0 40 DDAB CC(C)N(CCC(=O)O)C(=O)c1ccc(S(C)(=O)=O)cc1 37584897 BIPWLDYBYNIPQY-UHFFFAOYSA-N 313.375 1.415 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@@H]1CCS(=O)(=O)C1 47594875 DUJPAGNKKQOUNE-UPJWGTAASA-N 318.439 1.068 0 40 DDAB CC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 558572 HTWQRJHLEPHXQV-UHFFFAOYSA-N 311.432 1.949 0 40 DDAB CCOCCOC(=O)c1ccc(Sc2nc(C)n[nH]2)nc1 3051235 MHMXXUVIVIPRRG-UHFFFAOYSA-N 308.363 1.853 0 40 DDAB Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)n(-c2ccccn2)n1 71281495 MDIOIPVYVXCQTM-STQMWFEESA-N 314.345 1.871 0 40 DDAB O=C(c1ccc[nH]c1=O)N1CCN(CCc2ccccc2)CC1 24623071 YNNVAZIWJRWMKF-UHFFFAOYSA-N 311.385 1.375 0 40 DDAB CC(C)(C)S(=O)(=O)CCNC(=O)[C@@]1(C)CC1(Cl)Cl 78679658 YALRNKDZFAQYGK-SNVBAGLBSA-N 316.250 1.900 0 40 DDAB COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 78716837 DVGLGYVXKDDZTM-CABCVRRESA-N 316.401 1.755 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)N2CCCCCC2)CC1 78953170 YIDSQXOSUYPOOQ-MRXNPFEDSA-N 310.486 1.846 0 40 DDAB CC(=O)OCCCn1nc(COC(N)=O)c2c1C[C@H](C)CC2=O 1588606 QWLSUFCYEAJLGU-VIFPVBQESA-N 323.349 1.197 0 40 DDAB CCNC(=O)OC[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1COC(=O)NCC 1732782 KKXCYVUJIFZMFA-IWDIQUIJSA-N 300.355 1.272 0 40 DDAB O=C(NCCn1ccnc1)N1CCO[C@H](c2ccc(F)cc2)C1 43310853 IDWTZJIYFWWHGO-HNNXBMFYSA-N 318.352 1.805 0 40 DDAB Cc1ccccc1CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 107060081 IKCOIKLOJXAUEJ-ZIAGYGMSSA-N 312.435 1.781 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O 4702819 VLOFYTGPIZMFDG-OUCADQQQSA-N 317.389 1.423 0 40 DDAB OC[C@@H]1O[C@H](n2cnc3cc(Cl)c(Cl)cc32)C[C@@H]1O 4823987 PESSKGMTBFGAGJ-SRVKXCTJSA-N 303.145 1.984 0 40 DDAB CC[C@@H](C)NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 4995990 FINLMNILGATZFL-LLVKDONJSA-N 314.407 1.376 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@H]1N1CCOCC1 107354771 IQCLRQFMPZQFAF-NUEKZKHPSA-N 310.438 1.371 0 40 DDAB CSCC[C@H]1C(=O)N=C(N)N1C(=O)OCc1ccccc1 6425208 CAIGUFPOGWHYQQ-NSHDSACASA-N 307.375 1.602 0 40 DDAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/C=C/c1ccco1 6971002 NKQGYFIEXDCRLU-ZNVMQTOASA-N 309.281 1.897 0 40 DDAB CC(C)NC(=O)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 35362432 JYXOJZUKMHBWJC-UHFFFAOYSA-N 322.384 1.182 0 40 DDAB COc1ccccc1N1CCN(CC(=O)N2CCCC2)CC1 54277324 HCPZBCWHKQQBBW-UHFFFAOYSA-N 303.406 1.440 0 40 DDAB CCc1ncncc1C(=O)N1CCN(Cc2ccco2)CC1 44376505 YNEQPICDXUQAKU-UHFFFAOYSA-N 300.362 1.590 0 40 DDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC[C@@H]2CO)cc1 97141923 WLYPMPJZXFMSNT-OAHLLOKOSA-N 318.417 1.697 0 40 DDAB Cc1nonc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 97162354 SGIQTNKHAGVDME-UHFFFAOYSA-N 305.319 1.365 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 8223238 SEMSURVTZBFNGW-SNVBAGLBSA-N 316.810 1.629 0 40 DDAB COCC[C@@H](C)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 58178364 NSVXKDHPBRZGQG-LLVKDONJSA-N 304.346 1.495 0 40 DDAB CC(=O)Nc1ccc(C2=Nn3c(nnc(C)c3=O)SC2)cc1 10277022 QGUVRGYGNWKWLO-UHFFFAOYSA-N 315.358 1.263 0 40 DDAB Cc1cc(NC(=O)CN2CCC(c3ccnn3C)CC2)no1 58290044 ZFCVYNWXKLCWJF-UHFFFAOYSA-N 303.366 1.535 0 40 DDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccs2)C1 57318841 DFCRTRTVZDMPAW-RYUDHWBXSA-N 310.419 1.751 0 40 DDAB C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 44945913 QLDGIDHZJFOWPA-SCZZXKLOSA-N 318.345 1.512 0 40 DDAB O=C(NCCOc1ccccc1)C(=O)Nc1cccc(O)c1 44917687 HHSXGHXSWQLVRW-UHFFFAOYSA-N 300.314 1.526 0 40 DDAB Cc1noc2ncc(C(=O)NCCNC(=O)OC(C)(C)C)cc12 58365014 IPJBHDSADGUMAI-UHFFFAOYSA-N 320.349 1.786 0 40 DDAB C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)NC1CCCC1 58394384 DHDAMEQTEKYBBT-LLVKDONJSA-N 311.426 1.102 0 40 DDAB Cc1cc2ccccc2n1CC(=O)O[C@H]1CCS(=O)(=O)C1 58378549 WSYVQVQCVHTNHE-ZDUSSCGKSA-N 307.371 1.680 0 40 DDAB Cc1nccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)n1 58392487 CMFQFCANGVGBOA-SNVBAGLBSA-N 302.300 1.399 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(F)cc2)C1 27939366 YJXVSKIUWZOCJB-GFCCVEGCSA-N 300.399 1.935 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C1 57312663 YJWRAXSSWSGNPH-RYUDHWBXSA-N 322.409 1.005 0 40 DDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2 36398152 BQTAZECHQUJSJF-SNVBAGLBSA-N 320.780 1.961 0 40 DDAB C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)NC(N)=O 12539045 OUROAJMWNXNDGW-GXFFZTMASA-N 307.350 1.240 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 29191552 QVWBBKVVWIPSPC-HNNXBMFYSA-N 322.430 1.329 0 40 DDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1 11615542 GADLDKXLWWOBJG-UHFFFAOYSA-N 306.343 1.962 0 40 DDAB COC(=O)C1=C(C)O[C@@H](CN2CCC[C@H](Cn3cncn3)C2)C1 95444053 PFFRJPCJPZWPPZ-UONOGXRCSA-N 320.393 1.226 0 40 DDAB CSc1nnc(C)n1NC(=S)NC(=O)Cc1ccccc1 108044493 ASRDYVAYMUYVSC-UHFFFAOYSA-N 321.431 1.496 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NCCN1C[C@H](C)C[C@@H](C)C1 46881112 JASJTDHCDIGXIX-CHWSQXEVSA-N 306.454 1.674 0 40 DDAB CCc1ccccc1O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 20108771 PCMWOUZOMVYIQJ-GFCCVEGCSA-N 304.390 1.740 0 40 DDAB CS[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 61422618 HZLBKBXZEAWCAN-LBPRGKRZSA-N 308.451 1.201 0 40 DDAB O=C(Nc1ccccc1-n1cnnn1)c1cnc2ccccc2n1 47327142 MGBQXEXHNGTIAF-UHFFFAOYSA-N 317.312 1.858 0 40 DDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cn1 12631468 DVLMREKGDXSTCG-UHFFFAOYSA-N 322.342 1.898 0 40 DDAB COc1cccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2=O)c1 20451333 KVJFHKKRVNYBOV-AWEZNQCLSA-N 304.346 1.049 0 40 DDAB O=C(COC(=O)c1cnccn1)NCCc1ccc(Cl)cc1 3395880 XEWKOHURCNTBRC-UHFFFAOYSA-N 319.748 1.646 0 40 DDAB C[C@@H]1CCc2c(C(=O)N[C@H]3CCS(=O)(=O)C3)csc2C1 12850671 RSAVOHZYHZLURD-ZJUUUORDSA-N 313.444 1.790 0 40 DDAB C[C@@H](CN1CCCC1=O)NCc1ccc(-n2cncn2)c(F)c1 48780130 BASDVTYRYSFAHG-LBPRGKRZSA-N 317.368 1.507 0 40 DDAB COc1cc(OC)c2c(C)c(CC(=O)NC3CC3)c(=O)oc2c1 4084589 RLHCEKYKINMNHT-UHFFFAOYSA-N 317.341 1.940 0 40 DDAB biogenic Cc1nn(C)c(C)c1NC(=O)COc1ccc(C(N)=O)cc1 14075716 JWEXBFZNQQIZDG-UHFFFAOYSA-N 302.334 1.153 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c(C)c1 14138330 MPJUMOYHQOYJNQ-UHFFFAOYSA-N 310.419 1.513 0 40 DDAB COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)N(C)C 65622450 GDZRNWIMOZZUBD-UHFFFAOYSA-N 324.805 1.734 0 40 DDAB O=C1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2)N1 95396727 NRMOQGNLVJWWQP-ZNMIVQPWSA-N 302.374 1.771 0 40 DDAB Cc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)[nH]c(=O)n3C)cc1 4606918 NGUXKTUBPWERAP-SNVBAGLBSA-N 312.329 1.176 0 40 DDAB CC[C@H](C)[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1 5681828 WTBXAAQCXSZQDA-GMXVVIOVSA-N 306.362 1.943 0 40 DDAB O=S(=O)(c1ccc(Oc2ncccn2)cc1)N1CCOCC1 9477541 WZNMNTWWTFGYJU-UHFFFAOYSA-N 321.358 1.290 0 40 DDAB CC(C)N(CCNS(=O)(=O)N(C)[C@@H](C)C1CC1)C(C)C 66901648 FILYTBXDPWWANI-ZDUSSCGKSA-N 305.488 1.670 0 40 DDAB CN1CCN(c2ncc(CNCC3CCSCC3)cn2)CC1 95416676 WPMRLJWQQWCNKI-UHFFFAOYSA-N 321.494 1.461 0 40 DDAB Cc1cc(C)n(C2CN(Cc3cc(=O)n4cccc(C)c4n3)C2)n1 71880702 MJIQCWFIQHDLQU-UHFFFAOYSA-N 323.400 1.873 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2nncs2)n1 71876092 ZTDXKQXQWJKOBZ-LBPRGKRZSA-N 320.422 1.455 0 40 DDAB CCSc1ccccc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 7840871 LSVBBRQCHJZHQW-SNVBAGLBSA-N 322.386 1.896 0 40 DDAB CC[C@@](C)(NC(=O)c1cc(Br)cn1C)C(=O)O 94219497 HQCUKOACEQNCRZ-LLVKDONJSA-N 303.156 1.771 0 40 DDAB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 81628593 OXLMRKAUOOPOCF-NSHDSACASA-N 315.377 1.923 0 40 DDAB C[C@H](c1ccc(F)cc1F)N1CCN([C@@H]2CCOC2=O)CC1 69509684 RQWUFQAXHQIVGT-IAQYHMDHSA-N 310.344 1.959 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CC[C@@H]2CCCO2)CC1 69770345 SHZLBJXXMAEOMH-GJZGRUSLSA-N 312.454 1.497 0 40 DDAB CNC(=O)[C@H](Cc1ccccc1)Sc1nnnn1C(C)(C)C 97085453 DGLSKAFRDXKMAT-LBPRGKRZSA-N 319.434 1.878 0 40 DDAB CCO[C@H]1C[C@H](N(C)CC(=O)NCc2cccnc2)C1(C)C 84800696 OQOHIHOGMSFCCE-GJZGRUSLSA-N 305.422 1.833 0 40 DDAB COC(=O)COc1c(C=O)cc(Br)cc1OC 98063825 NPFBLVVDQUNHCX-UHFFFAOYSA-N 303.108 1.822 0 40 DDAB CS(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 95945084 DZTFKISIJFIGHD-SECBINFHSA-N 320.296 1.462 0 40 DDAB COc1ccc(C[C@@H](C)C(=O)NCc2nccc(N)n2)cc1 89506337 PBQOOGPUNXFVHI-LLVKDONJSA-N 300.362 1.562 0 40 DDAB Cc1sc(NC(=O)[C@H]2CNC(=O)N2)nc1-c1ccc(F)cc1 89548338 WDKHSMPOAZQWGZ-SNVBAGLBSA-N 320.349 1.878 0 40 DDAB Cc1ccc(N2CCCN(C(=O)c3scnc3C)CC2)nn1 75129191 UEYSKZMHFRSSQP-UHFFFAOYSA-N 317.418 1.902 0 40 DDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC(=O)NC1 89941185 XFCFJBAAOLBTJN-QWHCGFSZSA-N 301.390 1.380 0 40 DDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3cnc(C)s3)C2)no1 76047342 VUXBITMDZCTWQQ-GFCCVEGCSA-N 307.423 1.849 0 40 DDAB O=c1[nH]c2ccc(-c3csc(CN4CCOCC4)n3)cc2[nH]1 76316207 MMYJVNQLTVRNJJ-UHFFFAOYSA-N 316.386 1.812 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NC(=O)Nc1ccccc1 23269943 BWGBGLMPKDXWIU-UHFFFAOYSA-N 323.312 1.140 0 40 DDAB CCN(CCc1ccccn1)Cc1nc2c(cnn2C)c(=O)[nH]1 65436719 RBWWENIGGNAEJI-UHFFFAOYSA-N 312.377 1.116 0 40 DDAB CN1CCc2ncnc(Oc3ccc(C(=O)N(C)C)cc3)c2C1 65474351 QONOCWBOFFWKIC-UHFFFAOYSA-N 312.373 1.959 0 40 DDAB COc1ccc(-n2cccn2)c(CN2CCC(O)(CO)CC2)c1 67458389 NLFFCMUPISZYNI-UHFFFAOYSA-N 317.389 1.200 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCn1cccc1 524734650 YHWKIKGKQLDYSO-UHFFFAOYSA-N 322.368 1.528 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)c1cn2cc(C)ccc2n1)C(=O)OC 36569623 AESPOARBDPHXJE-SMDDNHRTSA-N 303.362 1.960 0 40 DDAB CO[C@H]1C[C@@H](C(N)=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1 551924704 CSCSVUFIGKISOD-STQMWFEESA-N 319.336 1.555 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCCN(c2cccnn2)C1 69952206 GLLWDSXCDYQCQX-ZDUSSCGKSA-N 314.393 1.838 0 40 DDAB CCOC(=O)[C@H]1CS/C(=C/C(=O)Nc2ccccc2)C(=O)N1 30843377 JSPRPBQHCXSHPC-OYGDSYQHSA-N 320.370 1.304 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@]1(CN)COC 218085117 KSHXAXZOAQSFCB-SOUVJXGZSA-N 313.419 1.187 0 40 DDAB COC(=O)c1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1 38718805 SWJDJKSNYPXCPW-UHFFFAOYSA-N 322.361 1.343 0 40 DDAB NC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 26456824 QTKDKLHDGOGIHH-UHFFFAOYSA-N 300.362 1.219 0 40 DDAB O=C(O)[C@H]1CCCN(C(=O)c2c(Cl)nc3ccccn23)C1 128514372 NTKINRVJAJKEHY-VIFPVBQESA-N 307.737 1.925 0 40 DDAB Nc1c(C(=O)N2CCOCC2)cnc2c(-c3ccccc3)cnn12 72401271 DWWIVIJBMXTNPT-UHFFFAOYSA-N 323.356 1.451 0 40 DDAB CCC[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 47202954 ZHILWDLZHQPTEJ-QGZVFWFLSA-N 317.389 1.456 0 40 DDAB Cc1ccc(=O)n([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)n1 44395447 AFKCLTNXCSRFFT-CYBMUJFWSA-N 324.384 1.953 0 40 DDAB CCOC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40312730 MMPLJTQUSIITKM-UHFFFAOYSA-N 301.302 1.153 0 40 DDAB biogenic O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1ccoc1Cl 192571427 HFECYSIGVAAWOE-MRVPVSSYSA-N 307.755 1.562 0 40 DDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1nccs1 223322690 ZAUAATGGSBWGKO-UHFFFAOYSA-N 311.344 1.687 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc3nnc(C)n3c2)cc1 49408320 HMIXZVSSTNVTGT-UHFFFAOYSA-N 318.358 1.847 0 40 DDAB CO[C@H](C)CS(=O)(=O)NCc1nc2ccccc2n1C1CC1 195453330 CRZXYAPQPVYEBO-LLVKDONJSA-N 323.418 1.826 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)/C=C/c1cnn(C)c1C 195546187 OATQTPSNFAPJEI-ZZWPQQLRSA-N 317.389 1.446 0 40 DDAB O=C1OCCN1[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 618254167 KYEMCALOLXCQTR-AWEZNQCLSA-N 318.348 1.910 0 40 DDAB Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)no1 96188254 PXPDNFNHTLPZNX-LBPRGKRZSA-N 303.366 1.013 0 40 DDAB c1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)cc1 96040615 WHMOCCPANRMUNS-OTWHNJEPSA-N 316.445 1.998 0 40 DDAB Cc1cc(C(=O)NCCC(=O)N2C[C@@H](C)C[C@H](C)C2)n(C)n1 96192445 XSJPZTMGEXYTLP-RYUDHWBXSA-N 306.410 1.353 0 40 DDAB CC1=CCC[C@H](C)[C@H]1CNCC1(O)CCS(=O)(=O)CC1 97098968 VKLGCVQCRQLLQC-KBPBESRZSA-N 301.452 1.508 0 40 DDAB C[C@]1(NC(=O)Nc2cnn(CCN3CCCCC3)c2)CCOC1 91170278 ZNZCFNUESXDPRX-INIZCTEOSA-N 321.425 1.670 0 40 DDAB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344280 GTTHKUCYKIVKKB-SNVBAGLBSA-N 318.352 1.827 0 40 DDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107273 QUMSKBJMCXLFKX-PBHICJAKSA-N 317.389 1.667 0 40 DDAB CCOC[C@H]1CN(CCN2CCCCC2)Cc2cnn(C)c21 96044715 YBWASGZZUDAHDT-MRXNPFEDSA-N 306.454 1.842 0 40 DDAB CCCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 243182026 JWSAJYOCYZAQQW-UHFFFAOYSA-N 312.435 1.931 0 40 DDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)COC1CCCC1)C2 248145539 RSJDZHPOSDKVEG-CQSZACIVSA-N 310.438 1.515 0 40 DDAB COCCNC(=O)c1cc([C@H]2CNCCO2)nc2ccccc12 257316247 VEUCLYBGMLDELC-MRXNPFEDSA-N 315.373 1.272 0 40 DDAB O=C(c1ccc2ncccc2c1)N1CC[C@H](O)[C@]2(CCCO2)C1 257339785 ZDEABJFNJJGPRI-WMZOPIPTSA-N 312.369 1.991 0 40 DDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CCC[C@H]2O)cc1 252587587 ZILOGAQRYJVGBS-SQWLQELKSA-N 311.447 1.908 0 40 DDAB COC(=O)N1CCC(CNC(=O)c2cc(C3CC3)on2)CC1 85470289 ARKZMCIJAGNUEF-UHFFFAOYSA-N 307.350 1.760 0 40 DDAB Cn1cncc1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257267305 MGRLKUMMZJBVPJ-NSHDSACASA-N 321.406 1.016 0 40 DDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCC1 257305329 SPLDOMFFWHRSIT-UIBIWLFHSA-N 319.449 1.473 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)[C@H]1O 257339762 ZDBUCOSSYVFMIM-XNRPHZJLSA-N 316.357 2.000 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccn[nH]2)cc1 257214808 CNMMNXDTHDYEAN-AWEZNQCLSA-N 307.375 1.480 0 40 DDAB O=C(NC1CCC(C(=O)O)CC1)c1ccc(-n2ccnn2)cc1 261972377 BMULZTMMXJRZTJ-UHFFFAOYSA-N 314.345 1.641 0 40 DDAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ncn(C)c1Cl 26880966 COJPWUVAEPRIAW-QMMMGPOBSA-N 303.771 1.576 0 40 DDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 575406969 ZYRLDCSAZZAKIQ-AWEZNQCLSA-N 304.394 1.435 0 40 DDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)Cc2cnc[nH]2)C1 585279505 ZHMZFXIQGBONIJ-KRWDZBQOSA-N 315.373 1.649 0 40 DDAB COc1ccc(CN2CCC[C@](O)(CCC(N)=O)C2)c(F)c1 585277570 IXIMAWVUBPJFNA-INIZCTEOSA-N 310.369 1.427 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@@H]2C 585098528 ZDBVTEABHWUEGA-CYBMUJFWSA-N 314.389 1.879 0 40 DDAB Cn1cnc2c1[C@H](C(=O)NC1CC1)CN(Cc1ccco1)C2 585110930 ZYVLASXRCQEYQJ-CYBMUJFWSA-N 300.362 1.391 0 40 DDAB COC[C@H]1Cc2c(ncn2C)CN1Cc1ccc(CO)cc1 585094542 AMNKMNLZRHSTJL-OAHLLOKOSA-N 301.390 1.486 0 40 DDAB Cc1cc(C)nc(N2CC[C@H](NC(=O)c3c(C)noc3C)C2)n1 1058308658 WWIZSLHKQXBTJW-ZDUSSCGKSA-N 315.377 1.707 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 44316143 JTJARSUEGPVWRW-SSDOTTSWSA-N 322.180 1.207 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc(C3CC3)[nH]n2)C1 44908422 XDVDIJCEFCGCIX-ZDUSSCGKSA-N 306.410 1.374 0 40 DDAB CN1C(=O)CC[C@H]1c1nc(CNC(=O)NC2CCCC2)no1 1775963959 LULXDIJWXJYYNL-JTQLQIEISA-N 307.354 1.105 0 40 DDAB biogenic,in-vitro Fc1cncnc1N1CCN(c2ccc(C3CC3)nn2)CC1 1776009517 RLHWGOMLVXZNPQ-UHFFFAOYSA-N 300.341 1.610 0 40 DDAB CCC[C@@H]1OC[C@@H]2O[C@@H](Nc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O1 5486475 UZXLTPMMECHNLB-RCZWDNKTSA-N 309.362 1.087 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCSC2=O)cc1 5545593 WQKUURKVGDYWJD-JTQLQIEISA-N 314.388 1.015 0 40 DDAB CCOC(=O)c1cccc(NC(=O)C[C@H]2SC(=O)NC2=O)c1 12136926 CQTAQUZYCASVIK-SNVBAGLBSA-N 322.342 1.544 0 40 DDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NC3CC3)c(=O)c21 12183647 VGNSACDAKICAAF-UHFFFAOYSA-N 314.345 1.551 0 40 DDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCCO1 12868407 FRBXEFKTQKLWOG-JTQLQIEISA-N 316.279 1.680 0 40 DDAB COCCNC(=O)c1nnc(Cc2c(F)cccc2Cl)o1 16194389 RVVDRWBWDGPYDL-UHFFFAOYSA-N 313.716 1.829 0 40 DDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCC(C)C 16249206 MKANPNHVOZXIBX-UHFFFAOYSA-N 315.420 1.389 0 40 DDAB O=C1CN(C(=O)CSc2ccncn2)c2ccccc2N1 16524934 VUEQNSNYPWDARA-UHFFFAOYSA-N 300.343 1.554 0 40 DDAB Cc1noc(C)c1CC(=O)N1CC[C@H](Oc2cnccn2)C1 225794443 PAFNLQBMJYIEHN-LBPRGKRZSA-N 302.334 1.304 0 40 DDAB O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1C[C@H]1C1CCCCC1 548017578 WDOJPHQUHSGLEP-ILXRZTDVSA-N 302.422 2.572 0 40 DDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 16899791 ARTWMOJRPZLFBZ-GFCCVEGCSA-N 323.370 1.623 0 40 DDAB CCn1c(S)nnc1-c1cn(C[C@@H](O)c2cccs2)nn1 1889046855 VEIOQNKVNIZYAV-SECBINFHSA-N 322.419 1.640 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccncc2)c1 24357113 IQIUNDANFARQFL-NSHDSACASA-N 320.370 1.908 0 40 DDAB COC(=O)[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)C(C)C 24989009 ONPCBIYTTPVMJC-CYBMUJFWSA-N 318.377 1.940 0 40 DDAB Cc1ccccc1NC(=O)C(=O)NCCCN1CCCC1=O 4583781 JIVPFGNZMPWMGV-UHFFFAOYSA-N 303.362 1.062 0 40 DDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(C)c(C)c3)C2)n1 1775967339 NEVDARKPXMGWJI-UHFFFAOYSA-N 311.385 1.941 0 40 DDAB CSc1ccccc1C(=O)NC[C@]1(OCCO)CCOC1 617716004 FZLUYOSRPZNZBH-OAHLLOKOSA-N 311.403 1.306 0 40 DDAB COC(=O)CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 1657628 MJZLALCRENFOGA-SNVBAGLBSA-N 300.355 1.065 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 40523526 VXVSDSGABYTNQX-AWEZNQCLSA-N 318.417 1.966 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 40520218 UIBQKXODONPSCK-QMMMGPOBSA-N 324.328 1.013 0 40 DDAB Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(C(C)C)CN2 20567626 MJMTWNFLKCILGN-UHFFFAOYSA-N 300.362 1.428 0 40 DDAB Nc1cc(N)nc(S[C@@H]2CCc3ccccc3NC2=O)n1 32096889 VRMHMZGMSNRCPC-SNVBAGLBSA-N 301.375 1.687 0 40 DDAB CCc1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 21558956 RKGBQXMNFJXJSF-GFCCVEGCSA-N 306.362 1.319 0 40 DDAB CC(C)NC(=O)CN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 21583814 AFQZQUFNCAXZNX-UHFFFAOYSA-N 322.796 1.304 0 40 DDAB CCCn1nc(C(=O)NC[C@H]2CCOC2)c2ccccc2c1=O 41376589 LZSSYGVKNPJPCF-GFCCVEGCSA-N 315.373 1.573 0 40 DDAB NC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 33002163 MYWRBQXWGDJTTM-UHFFFAOYSA-N 315.373 1.373 0 40 DDAB Cc1noc(CCCC(=O)N2CCN(c3nccs3)CC2)n1 41620056 RQNSHERKRXSMEB-UHFFFAOYSA-N 321.406 1.506 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 42055181 CITFPICLVMRDDK-UHFFFAOYSA-N 305.309 1.897 0 40 DDAB Cc1csc(=O)n1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C 103915677 HSUPPYQEQNBTNB-MWLCHTKSSA-N 311.407 1.623 0 40 DDAB CC[C@H](C)C1=NN(C(=O)c2ccccc2)[C@@](O)(C(=O)OC)C1 55005 UBGPHXJAIPYFNH-ZBEGNZNMSA-N 304.346 1.796 0 40 DDAB C[C@H]1CN(CC(=O)Nc2nncs2)[C@H](c2ccccc2)CO1 72896879 HZLAQYYWXKUKOI-AAEUAGOBSA-N 318.402 1.939 0 40 DDAB CCOc1cccc(C(=O)NC(=S)Nc2nnn(CC)n2)c1 558396 FVFZKDNFFJIPGM-UHFFFAOYSA-N 320.378 1.219 0 40 DDAB NC(=O)CCCNC(=O)COc1ccccc1C(F)(F)F 42924843 OEOKVIWEVYKAIU-UHFFFAOYSA-N 304.268 1.466 0 40 DDAB NC(=O)CCCNC(=O)COc1cc(Cl)ccc1Cl 42925890 ZZJHZGGACINNCZ-UHFFFAOYSA-N 305.161 1.754 0 40 DDAB COc1ccnc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 47693785 QEXXBISCVCQFBP-CYBMUJFWSA-N 302.378 1.490 0 40 DDAB O=C(O)[C@@H]1[C@H]2c3ccccc3[C@@H](O)[C@]1(C(=O)O)c1ccccc12 1621911 FITUJGMJDXXJQY-AFIMGQEJSA-N 310.305 1.902 0 40 DDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCCN3)c2)n1 79214125 KZWHVDWFKGSCLN-AWEZNQCLSA-N 312.373 1.690 0 40 DDAB C[C@H](C(N)=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 106585171 SUFLPEYGMNFZMA-NEPJUHHUSA-N 322.384 1.533 0 40 DDAB C[C@H](NC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCCO1 95950777 VWGVUFBVMDBPGA-DZGCQCFKSA-N 307.394 1.674 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NC[C@H]1CCCOC1 55924054 BKQYYTVLYPMIII-LLVKDONJSA-N 321.402 1.391 0 40 DDAB CN1CCO[C@@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@H]21 107522026 LKIUWXFHIVIGMC-HUUCEWRRSA-N 307.369 1.169 0 40 DDAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10323991 DDIFSLISVBPHIV-GHMZBOCLSA-N 310.419 1.926 0 40 DDAB CCCNC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57522290 DTRDOFWUUJNXLR-UHFFFAOYSA-N 303.337 1.884 0 40 DDAB COCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 57999119 LAYCDPHNECSRKT-UHFFFAOYSA-N 320.345 1.239 0 40 DDAB COCCCN(C)S(=O)(=O)c1cccc(C(=O)OC)c1 57997258 PZPGCQSFZCQPPA-UHFFFAOYSA-N 301.364 1.130 0 40 DDAB Cc1cc(C)c(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c(C)c1 101274001 GCJIXYODCLEMIN-OAHLLOKOSA-N 315.417 1.491 0 40 DDAB COC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(O)c(OC)c1 58194495 MJKBTPMHEGTWOZ-LBPRGKRZSA-N 324.377 1.788 0 40 DDAB O=C(NCCCNCc1cccnc1)c1ccc2c(c1)CCO2 95957704 OVRVZRVIXWJOMS-UHFFFAOYSA-N 311.385 1.926 0 40 DDAB C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](O)C1 95987668 AXNJQOUMGXUGDM-ZBFHGGJFSA-N 305.422 1.673 0 40 DDAB C[C@H]1CCOCCN1C(=O)NCc1cc(=O)[nH]c2ccccc12 95985272 GNGQFTPQRJDRTQ-LBPRGKRZSA-N 315.373 1.849 0 40 DDAB CN(C)C[C@@H]1C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2N1C 107202908 KWABWFTXHCBDCL-YCPHGPKFSA-N 321.490 1.773 0 40 DDAB Cc1cccc(OCC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 58269032 YRKFNMXUTGVSTJ-ZDUSSCGKSA-N 316.357 1.788 0 40 DDAB CN(Cc1cc(Br)cs1)C(=O)Cn1cnnn1 44952830 YHSFKRIWIHSFDC-UHFFFAOYSA-N 316.184 1.156 0 40 DDAB CCN(CC)C(=O)[C@@H](C)NC(=O)c1ccc(NC2CC2)nc1 58304906 CAUFFJDPTCUZEZ-LLVKDONJSA-N 304.394 1.643 0 40 DDAB COc1ccc(OCCN(C)C(=O)Nc2ccn(C)n2)cc1 58313227 ZPRQNSXZMITELV-UHFFFAOYSA-N 304.350 1.971 0 40 DDAB C[C@@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CC1 58424521 LHWOKBOJGGHEON-CYBMUJFWSA-N 316.467 1.887 0 40 DDAB C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 58426418 MVYREXDHYLAABN-NSHDSACASA-N 316.448 1.675 0 40 DDAB Cn1cc(CCNC(=O)NC[C@@H]2COc3ccccc3C2)cn1 45128548 GZFJLHZTPFGMLG-CQSZACIVSA-N 314.389 1.513 0 40 DDAB Cc1c(C)n(C[C@@H](O)CN2C(=O)CNC2=O)c2ccccc12 28297058 CPEHMQZGVRVJHH-GFCCVEGCSA-N 301.346 1.171 0 40 DDAB O=C(Nc1nn2cnnc2s1)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 102379639 HRZFXGAHZGJGOC-YEIXAPTMSA-N 319.390 1.456 0 40 DDAB COc1cc(CNC(=O)N(C[C@H]2CCOC2)C2CC2)ccn1 45494918 OQCCJDKTPRNCCQ-CYBMUJFWSA-N 305.378 1.801 0 40 DDAB COc1cc(OC)cc(-n2nnnc2CN(C)CC2CCC2)c1 83248825 MCASIEBFZNGTKJ-UHFFFAOYSA-N 317.393 1.911 0 40 DDAB CC[C@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 57242952 RSCNEPOCFXWWFV-ZDUSSCGKSA-N 312.435 1.800 0 40 DDAB CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 95436926 CBVXRWJUQAURKB-CABCVRRESA-N 311.470 1.813 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N2CCOc3ccccc32)c[nH]1 37287408 HWEWVSFWRSSJFL-UHFFFAOYSA-N 308.315 1.301 0 40 DDAB C[C@H]1CN(C(=O)NCc2nncn2-c2ccccc2)C[C@@H](C)O1 46966400 UATYGVYRNUNIEO-BETUJISGSA-N 315.377 1.586 0 40 DDAB CCNC(=S)NNC(=S)Nc1ccc(OC(F)F)cc1 3273854 ABVXMSSHXUHKJC-UHFFFAOYSA-N 320.390 1.973 0 40 DDAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)N1CCNC1=O 12822386 JWTLNINHQUYYBX-UHFFFAOYSA-N 319.695 1.905 0 40 DDAB CCC1(CC)NC(=O)N(C[C@@H](O)COc2cccc(C)c2)C1=O 12874906 FUSOSQXIFBKPMO-CYBMUJFWSA-N 320.389 1.845 0 40 DDAB CCNC(=O)[C@H]1CCCN(Cn2nc(C(C)(C)C)ccc2=O)C1 66793348 PXPSBKSDPDGRJR-ZDUSSCGKSA-N 320.437 1.346 0 40 DDAB CCOc1ccc(-n2nnnc2SCC(=O)NC(C)C)cc1 5016272 XRGSIWNEYGWJMW-UHFFFAOYSA-N 321.406 1.678 0 40 DDAB COc1ccccc1CN1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 9485634 NGGAMGQHTFYBQD-PWSUYJOCSA-N 312.416 1.344 0 40 DDAB O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCN(C2CC2)CC1 89764850 RQVKPZAREQRFKW-UHFFFAOYSA-N 315.417 1.564 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2)c1C 14076622 FDXDBOABOTUPLU-UHFFFAOYSA-N 319.317 1.191 0 40 DDAB Cc1nc(-c2ccccc2)n(CC(=O)N2CCO[C@@H](C)C2)n1 66081377 WTAFDTUPYJUKQC-LBPRGKRZSA-N 300.362 1.501 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 90020300 KRHALIOEBWEHHO-AWEZNQCLSA-N 317.389 1.706 0 40 DDAB NC(=O)Cn1cc(NC(=O)C[C@H]2CCc3ccccc3C2)cn1 71899348 GKNHEKVBXVCFOU-LBPRGKRZSA-N 312.373 1.502 0 40 DDAB O=C1CC[C@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)N1 68240120 PPPKFEQIRLDCJK-LLVKDONJSA-N 300.280 1.643 0 40 DDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(F)cc1 16098048 VXBQSZILMVUIND-UHFFFAOYSA-N 308.334 1.750 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1 68539616 SMGZTTVPADQIOI-QWHCGFSZSA-N 320.389 1.654 0 40 DDAB CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 71820080 XPOCSXHVSOTHAY-UHFFFAOYSA-N 321.377 1.458 0 40 DDAB Cc1nnc([C@H](C)N2CCCN(C(=O)c3ccccn3)CC2)o1 71841064 WVLANWOMVKOLBY-LBPRGKRZSA-N 315.377 1.682 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 8192660 XHFTVQJKAJYNAL-CQSZACIVSA-N 305.422 1.675 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CCc3ccncc3)CCO2)n1 83829885 VJCHNOMXAVTKDG-CYBMUJFWSA-N 315.377 1.295 0 40 DDAB CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1C 25778931 RSKDHGOOXVMFJZ-UHFFFAOYSA-N 305.378 1.614 0 40 DDAB CSC[C@H](C)C(=O)NCCNC(=O)c1c(F)cccc1F 71902937 IZSMQZUMYZCIJR-VIFPVBQESA-N 316.373 1.810 0 40 DDAB C[C@H](Cn1cccn1)NC[C@H](O)COc1ccc2c(c1)OCO2 69373803 YDCYHDWCWZUSBE-OLZOCXBDSA-N 319.361 1.030 0 40 DDAB Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 69387108 LNGBXHDDILMEJH-QWHCGFSZSA-N 321.425 1.068 0 40 DDAB C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc2c(c1)OCCO2 9608093 BEHKOLOUXXKWLB-SECBINFHSA-N 301.302 1.032 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@H](C)C2)CC1 69456208 VLGYEQLVDAKPND-MOKVOYLWSA-N 316.467 1.743 0 40 DDAB O=c1cc(CN2CCCC[C@H]2C2OCCO2)nc2ccccn12 69490866 YKCRDPVJBFQASV-AWEZNQCLSA-N 315.373 1.422 0 40 DDAB Cn1cnc2c1CCN(CC(=O)N1CCC(c3ccccc3)=N1)C2 69516476 KCLHPBLMHPUGSU-UHFFFAOYSA-N 323.400 1.415 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C[C@H](O)c2ccccc2F)CC1 69627630 BVGWDZBFVOJRJF-IRXDYDNUSA-N 324.440 1.884 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)N1CCN(CC(C)(C)O)CC1 69809903 TVYWMAQUAKKPRY-OAHLLOKOSA-N 320.433 1.507 0 40 DDAB Cc1cc(C)c(C(=O)CC2(C(F)(F)F)NCCN2)c(=O)[nH]1 19323938 LJCINQVGIWAUQP-UHFFFAOYSA-N 303.284 1.016 0 40 DDAB COc1cccc([C@H](C)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 97033470 HNFMNZJUXKPHKY-APHBMKBZSA-N 306.406 1.982 0 40 DDAB C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CC(=O)N(C)C1 95956397 RAQHUFVCSKDQDM-GXTWGEPZSA-N 301.390 1.032 0 40 DDAB COc1ccc(NC(=O)N2CCN(CCCCO)CC2)cc1 72306005 GJFHUWJKVHYSEV-UHFFFAOYSA-N 307.394 1.617 0 40 DDAB Cn1ncc2c1CCC[C@@H]2Nc1ncnc2c1cnn2CCO 97200274 JZOCXAFRPAMDOM-LBPRGKRZSA-N 313.365 1.042 0 40 DDAB NC(=O)[C@H](Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1 97377321 OBZPMEFKTAFJPC-HUUCEWRRSA-N 300.362 1.701 0 40 DDAB COCc1ccc(CNC(=O)CN2CCN(C)C[C@@H]2C)cc1 89939064 WSEJFKFOUJNEHO-AWEZNQCLSA-N 305.422 1.085 0 40 DDAB C[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1cccs1 89901011 MMLNMYWAHPJCDY-MNOVXSKESA-N 316.448 1.728 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1COC2(CNC2)C1 1548570354 VYEJKTKEGSWPPK-DGCLKSJQSA-N 308.353 1.230 0 40 DDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 408592136 LEHXOVHNHBXSNH-WEVVVXLNSA-N 314.219 1.683 0 40 DDAB O=C(CCCOCc1ccccc1)NCCCn1cncn1 50582671 QPHKUUWXVSSWFZ-UHFFFAOYSA-N 302.378 1.781 0 40 DDAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc2c1oc(=O)n2C 179298109 WKUVLCOAMWSAFL-SECBINFHSA-N 314.345 1.664 0 40 DDAB CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 63527678 LAZJAYBFUMMEIS-CYBMUJFWSA-N 300.449 1.855 0 40 DDAB O=C(NCCOc1ccc(-c2ccccn2)nn1)c1ccco1 56908175 XYMJVAKPWHPCRR-UHFFFAOYSA-N 310.313 1.940 0 40 DDAB COc1ccc([C@]2(O)CSc3nc(C)cc(=O)n32)cc1OC 35682842 FKVOKJCAOPZRGQ-OAHLLOKOSA-N 320.370 1.368 0 40 DDAB O=C(NCc1noc(C2CC2)n1)Nc1ccc(C2CC2)nn1 535717021 CFYVTUCNAUBWDB-UHFFFAOYSA-N 300.322 1.936 0 40 DDAB COc1ccc(CC(=O)NCc2nc(O)c3ccccc3n2)nc1 552419285 IJQWOLWLMDKRHM-UHFFFAOYSA-N 324.340 1.598 0 40 DDAB O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32100907 DKTORWIYIGOYGJ-ZDUSSCGKSA-N 322.372 1.979 0 40 DDAB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1 33787919 VCYQOBJXUORVLT-UHFFFAOYSA-N 315.304 1.519 0 40 DDAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218568035 CNDNXYYGASASDE-KKUMJFAQSA-N 315.410 1.708 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC)c(C(=O)O)c1 217698637 UANWTXFZAJIWAU-VIFPVBQESA-N 300.380 1.893 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@@H]1c1ccccc1 72238052 RQNJOAVQEVGKFE-IRXDYDNUSA-N 316.401 1.988 0 40 DDAB Cc1ccc(CCNC(=O)NCC(=O)N2CCCCC2)cn1 78925008 ITKSPCWXWCTCHM-UHFFFAOYSA-N 304.394 1.244 0 40 DDAB CNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 41262333 GFJXWXARBOAIRG-UHFFFAOYSA-N 306.362 1.302 0 40 DDAB Cc1ccccc1OCC(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 238874783 NTTXOXCTPSHYOJ-VNQPRFMTSA-N 305.374 1.827 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2cnc(C)nc2)CC1 82314619 BKPKEUYFQDXTBD-UHFFFAOYSA-N 312.373 1.756 0 40 DDAB COCCCNC(=O)c1snnc1-c1cccc(OC)c1 225764640 AAQQAMUOMLUGEO-UHFFFAOYSA-N 307.375 1.980 0 40 DDAB COc1ccc([C@H](CC(=O)NC(C)C)NS(C)(=O)=O)cc1 225954431 JETLZXMBXMCRNR-ZDUSSCGKSA-N 314.407 1.200 0 40 DDAB Cc1ccccc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1 224251307 ISOROUUKYLTTGD-UHFFFAOYSA-N 311.389 1.789 0 40 DDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccncc2)C1 225493830 AGUCPEIVPJPJDG-ZDUSSCGKSA-N 314.345 1.564 0 40 DDAB Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)O 42646250 IIGJBWSUDAMPHY-QMMMGPOBSA-N 315.167 1.193 0 40 DDAB CCOc1ncccc1C(=O)NCc1cnn2c1CCCC2 225611196 ZGOOZLPRAWTXJJ-UHFFFAOYSA-N 300.362 1.943 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)c2csc3ccccc23)nn1 225694226 INJDIESHBGZQRA-LBPRGKRZSA-N 302.359 1.493 0 40 DDAB Cn1ccnc1CN1CCC2(CC1)CCN2C(=O)c1ccco1 96078018 LSPDMTQSIJSPSA-UHFFFAOYSA-N 314.389 1.894 0 40 DDAB Cn1ccnc1C(=O)N1CCC2(CC1)C[C@H](OCC1CC1)CO2 96073108 WFRZSJYHLOSVBN-AWEZNQCLSA-N 319.405 1.610 0 40 DDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccc(F)cc1 96041420 NAOZFLKRVDHAAF-SQWLQELKSA-N 309.337 1.609 0 40 DDAB CCS(=O)(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 96421263 SLEOQJJYJMQUJK-UKRRQHHQSA-N 312.435 1.215 0 40 DDAB CS(=O)(=O)NCc1cncc2c1CCN(Cc1ccco1)C2 96189474 XVIHQAGQYDMEOT-UHFFFAOYSA-N 321.402 1.282 0 40 DDAB O=C(NCc1ccc(CN2CCCC2)cc1)NCC1(O)CCC1 95399568 RBNALODSTSQWBU-UHFFFAOYSA-N 317.433 1.997 0 40 DDAB CCS(=O)(=O)[C@@H](CO)C(=O)c1ccc(Br)cc1 96518790 JAHCKSQLSQWTBQ-JTQLQIEISA-N 321.192 1.427 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 96053941 LXZGKSGNLGWZAP-STQMWFEESA-N 314.414 1.742 0 40 DDAB CCCS(=O)(=O)N1C[C@@H](c2nc(C)no2)C[C@H]2OCC[C@H]21 97953662 DKUUQIZTTDNZDA-QJPTWQEYSA-N 315.395 1.065 0 40 DDAB Cn1cc(CN2CCC3(CCC(=O)N3CC3CC3)CC2)cn1 96228114 CLUKAOWNWLVBJZ-UHFFFAOYSA-N 302.422 1.787 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccn(C)n2)c2cccc(F)c2O1 330058789 ZOADTRYNCBKFPZ-VIFPVBQESA-N 311.338 1.535 0 40 DDAB O=C(c1cccnc1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058667 HYCVXMDCVGJOTK-CQSZACIVSA-N 324.384 1.617 0 40 DDAB Cn1ccnc1CN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257306858 SWHQVLJZMZDYBT-HOTGVXAUSA-N 319.380 1.964 0 40 DDAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)n1 257242607 IDHMULPIJFIKHC-NSHDSACASA-N 307.785 1.974 0 40 DDAB O=C(c1ccncn1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257240458 HTONQKMQWVBZPL-GFCCVEGCSA-N 308.345 1.768 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257331090 XRIHOGSTAVGHNR-CYBMUJFWSA-N 303.366 1.201 0 40 DDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccncc1)C2 253384841 QJHRDYYBCHNTOL-CQSZACIVSA-N 310.419 1.107 0 40 DDAB Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)ccc12 257328662 XGPVTEQSANDSBV-SECBINFHSA-N 311.349 1.283 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1cscn1 257230374 GCAQDPIUZOZHEI-ZDUSSCGKSA-N 303.387 1.938 0 40 DDAB CN(C)c1ncc(NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)cn1 252479425 BERYGRLVQHZDLS-STQMWFEESA-N 305.382 1.718 0 40 DDAB Cc1cc(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)[nH]n1 257343378 ZSSNJXKWHNXDGG-UHFFFAOYSA-N 321.406 1.314 0 40 DDAB C[C@]1(C(=O)O)CCCN1C(=O)c1ccc(N2CCNC2=O)cc1 263431963 KUKISBZFQFOLJB-MRXNPFEDSA-N 317.345 1.296 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)c2cnc3nc(C)ccc3c2O)C1 572342454 ROGCNZLOPIKWMF-PHIMTYICSA-N 301.346 1.941 0 40 DDAB CCCCC[C@H](C)NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C 29432569 QHHWFJXZOGPZOQ-NSHDSACASA-N 317.393 1.963 0 40 DDAB CC(C)Oc1cccc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2)c1 66647017 KZNPKFZYMYBTOB-IZPAUZPXSA-N 302.374 1.882 0 40 DDAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)N1CCOCC1 71925897 FJXKOTLMMXJRMY-ZDUSSCGKSA-N 317.389 1.473 0 40 DDAB O=C(NC1CCCCC1)c1cccc(CN2C(=O)CNC2=O)c1 32900955 IQRNYRPGMXDJHM-UHFFFAOYSA-N 315.373 1.801 0 40 DDAB Cc1ncnc(N2CCN(Cc3nc(C(C)C)no3)CC2)c1F 1776009862 VHHFOXWTJQNBAP-UHFFFAOYSA-N 320.372 1.753 0 40 DDAB CC(C)(C)C[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O 61526515 APNWXOCRZSKVRJ-GFCCVEGCSA-N 302.440 1.449 0 40 DDAB CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cnn(C)c2)c(C)c1 95962256 AKWYLMJRKABMDG-NSHDSACASA-N 315.377 1.971 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCO2 96025970 MRONCJUFELQLIH-ZDUSSCGKSA-N 317.432 1.014 0 40 DDAB CCOc1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cn1 585433338 KMFPXWQSECGCDY-UHFFFAOYSA-N 321.358 1.879 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 585612665 MPFDUQGMJDDHJN-BETUJISGSA-N 324.388 1.286 0 40 DDAB CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N 5555195 UPCZVNROBSLCOW-UHFFFAOYSA-N 309.370 1.814 0 40 DDAB Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc(O)ccc12 11865408 SQMWWMUHXZKECN-SECBINFHSA-N 319.313 1.329 0 40 DDAB biogenic C[C@H]1C[C@@H](C)CN(C(=O)Cn2nc(-c3cccnc3)oc2=O)C1 12115875 JHOMLIQIGIYTNF-TXEJJXNPSA-N 316.361 1.403 0 40 DDAB Cc1nc2ncnn2c(N2CCN(c3ccccn3)CC2)c1C 15786644 XBLZXMGPIOJEGC-UHFFFAOYSA-N 309.377 1.463 0 40 DDAB O=C([C@@H]1CCCO1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19292366 NHYDVSQQPYRLGR-DOMZBBRYSA-N 316.405 1.007 0 40 DDAB OCCN1CCN(C2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 19939791 ZREXZLAKFOBULG-SQNIBIBYSA-N 319.493 1.273 0 40 DDAB CCc1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1 4965871 SPMOSSLABNKKPC-UHFFFAOYSA-N 318.406 1.746 0 40 DDAB Oc1cc(C(F)F)nc(N2CCN(c3ccncn3)CC2)n1 1888857014 NTOWVWXZABQALG-UHFFFAOYSA-N 308.292 1.236 0 40 DDAB CC(C)N(C(=O)[C@@H](C)SCc1nc(N)nc(N)n1)C(C)C 15495133 SRDJBQZNYJCNGR-SECBINFHSA-N 312.443 1.303 0 40 DDAB CO[C@H]1CCN(C(=O)CC2(OC)CCC2)[C@H]1Cc1cnn(C)c1 1565551221 NUNHUQFTWCSFHV-GJZGRUSLSA-N 321.421 1.538 0 40 DDAB Cc1ccc(N(C(=O)[C@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1 4165301 VSRJBZMELHQYPR-LSDHHAIUSA-N 321.398 1.818 0 40 DDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1 10330823 QQOXEKDYGDTALJ-GFCCVEGCSA-N 302.334 1.032 0 40 DDAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1cccc(F)c1 10434195 SMJUWEOBBBBACX-ZDUSSCGKSA-N 306.293 1.990 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cnccn2)C1 225792588 OCYITWBMDWFJMX-GFCCVEGCSA-N 313.313 1.499 0 40 DDAB O=C(/C=C/c1ccco1)N1CC(c2nc(-c3ncccn3)no2)C1 49482804 WBQCOTGHXYHCIU-SNAWJCMRSA-N 323.312 1.759 0 40 DDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1C[C@H]2C[C@H]1CS2 575615322 CQUNXQGGXURECX-QWHCGFSZSA-N 321.427 1.751 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC(C(=O)NC3CC3)CC2)cc1 363653445 VEPGVIWENYIAEA-UHFFFAOYSA-N 322.430 1.585 0 40 DDAB Cc1ccc([C@H](O)CNS(=O)(=O)c2c(C)noc2C)o1 49026858 BLKYFEVRZANDKA-SNVBAGLBSA-N 300.336 1.205 0 40 DDAB COC(=O)Cn1/c(=N/C(=O)C2CC2)sc2cc(F)ccc21 100876482 SRFZOUBLNNZUFM-PEZBUJJGSA-N 308.334 1.852 0 40 DDAB CN(C)S(=O)(=O)c1ccccc1CNCc1ccncc1 30658175 WJNYRQJYKJTFHT-UHFFFAOYSA-N 305.403 1.622 0 40 DDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccn(C)c(=O)c2)n1 40541190 YTSNUDXFVRUWMZ-NSHDSACASA-N 302.378 1.265 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@H](C)O1 40513832 GYIAUFXAGTXNEU-RYUDHWBXSA-N 316.361 1.700 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2c(Cl)cccc21 32104127 IENGWAACUFWLLJ-ZDUSSCGKSA-N 305.765 1.771 0 40 DDAB Cc1c(C)n(CCCO)c2ncn(Cc3ccccn3)c(=N)c12 101471659 PULXBQIVTZNNRB-UHFFFAOYSA-N 311.389 1.760 0 40 DDAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@@H](C(N)=O)C1 41130864 FCGQPUCWAFPLPF-SNVBAGLBSA-N 319.386 1.588 0 40 DDAB CN1N=C(C(=O)Nc2ccccc2N2CCOCC2)CCC1=O 32836465 RSFGXBFDBUSVIW-UHFFFAOYSA-N 316.361 1.070 0 40 DDAB CCOC(=O)C1CCN(c2cc(CC)nc3ncnn23)CC1 22329103 QOYKDYNWVXFZND-UHFFFAOYSA-N 303.366 1.466 0 40 DDAB Cc1cc(OCC(=O)NCc2ccc(N3CCCC3)nc2)no1 23101429 BRUYUVOGZHUKOD-UHFFFAOYSA-N 316.361 1.673 0 40 DDAB Cc1cccc2c(=O)n(CCCC(=O)Nc3nc[nH]n3)cnc12 23141359 CWAOCZMGXATQRB-UHFFFAOYSA-N 312.333 1.242 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCCc1nnc2n1CCC2 42502800 YOQFJGXAHQPVCN-GFCCVEGCSA-N 300.362 1.351 0 40 DDAB CCCCN(C)S(=O)(=O)NCc1ccnc(N(C)C)c1 47593986 CJYVARQGKPMXQK-UHFFFAOYSA-N 300.428 1.214 0 40 DDAB CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)O)ccc12 489352 WLHQCUMEWBFFAT-UHFFFAOYSA-N 319.313 1.325 0 40 DDAB biogenic NC(=O)CSCC(=O)NCc1ccc(-c2ccccc2F)o1 78718470 FLFOIAUREYHMEL-UHFFFAOYSA-N 322.361 1.920 0 40 DDAB CC[C@@H](C(=O)NC1CCN(CC(F)F)CC1)N(CC)CC 78822480 OWGWLRGUXOIELL-ZDUSSCGKSA-N 305.413 1.953 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)NC1CCN(CC(C)C)CC1 43794041 HVVYGQKEWPONGF-ZDUSSCGKSA-N 312.458 1.321 0 40 DDAB O=C(CN1C(=O)COc2ccccc21)NCc1ccccc1F 7754870 IFDLSQKYAMTMAE-UHFFFAOYSA-N 314.316 1.868 0 40 DDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(CC)cc2)n1 8053766 XBVNSJUIZZHKFQ-UHFFFAOYSA-N 318.406 1.772 0 40 DDAB O=C(Nc1ncccn1)C1CCN(C(=O)c2ccco2)CC1 8246401 CQYDEWXKTGYCMX-UHFFFAOYSA-N 300.318 1.561 0 40 DDAB COc1ccc2c(CN(C)CC(=O)N(C)C)cc(=O)oc2c1 57886789 YKPLOJXCUHSQAY-UHFFFAOYSA-N 304.346 1.322 0 40 DDAB CCN(CC)C[C@@H](O)CNC1CCN(Cc2ccccc2)CC1 58078776 KREUHZLWRFCVJP-IBGZPJMESA-N 319.493 1.943 0 40 DDAB CN(Cc1nnnn1C1CC1)C[C@@H]1COc2ccccc2O1 44908273 CCEUWXWQYPACRI-GFCCVEGCSA-N 301.350 1.280 0 40 DDAB CNC(=O)[C@@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 44979589 VVXDLDPEEMWFLD-VXGBXAGGSA-N 322.430 1.822 0 40 DDAB O=C(CS(=O)(=O)c1cc(F)ccc1F)NCc1ccco1 44947420 JXOHDQMNDHRULG-UHFFFAOYSA-N 315.297 1.648 0 40 DDAB CC(C)C(=O)N1CCN(CCn2c(=O)oc3ccccc32)CC1 44908233 NBHYLONADQWUBZ-UHFFFAOYSA-N 317.389 1.395 0 40 DDAB Cc1nc(N[C@@H]2CCCN(c3ncccn3)C2)c2cnn(C)c2n1 44978827 JPGMTWKNGSWLJW-GFCCVEGCSA-N 324.392 1.543 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1 9322708 KMJUNJUMHKRWKQ-LLVKDONJSA-N 320.370 1.908 0 40 DDAB CN(C)c1cccc(CNC(=O)c2ccccc2-n2cnnn2)c1 58357089 BSNVEACOJMASIS-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB COc1cccc(NC(=O)CSc2nc(=O)[nH]cc2C)c1 9808871 QWSJLLCHKVMTLP-UHFFFAOYSA-N 305.359 1.818 0 40 DDAB COc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C)nn1C 58327609 YSYAPBGPXOMTTI-UHFFFAOYSA-N 308.426 1.474 0 40 DDAB COc1c(CNCCNC(=O)c2ccco2)c(C(C)C)nn1C 58428056 VDVMHVZUGYWNTA-UHFFFAOYSA-N 320.393 1.665 0 40 DDAB C[C@@H](NC(=O)c1cccnc1)c1ccc(S(C)(=O)=O)cc1 10967662 LDNPEACQGWFZGW-LLVKDONJSA-N 304.371 1.976 0 40 DDAB NC(=O)NCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 28647286 PANXDEMCQLHPGH-UHFFFAOYSA-N 309.329 1.984 0 40 DDAB Cn1ncc2c(NCc3ccnc(N4CCCC4)c3)ncnc21 29147495 CIFZWSLJQDOJPW-UHFFFAOYSA-N 309.377 1.971 0 40 DDAB CCCn1nc(C(=O)NCCc2csc(C)n2)ccc1=O 29499574 YAQLFKMOLQPFSV-UHFFFAOYSA-N 306.391 1.391 0 40 DDAB CS(=O)(=O)NCCNC(=O)Cc1ccc2ccccc2c1 29679367 WLEWCDPTIHHYTD-UHFFFAOYSA-N 306.387 1.048 0 40 DDAB Cn1cc(C(=O)O)c2nc(O)n(-c3ccc(F)cc3)c(=O)c21 26422067 KVIMCXXJMJZCHK-UHFFFAOYSA-N 303.249 1.267 0 40 DDAB COC(=O)C(CSc1ncccn1)CSc1ncccn1 27986840 BRRMWPQSDDHPTA-UHFFFAOYSA-N 322.415 1.940 0 40 DDAB Cn1ccnc1CN1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 107226367 OTZXIKGJZVAACH-CJNGLKHVSA-N 314.393 1.056 0 40 DDAB C[C@H](NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1 25355830 YGWJIMZBJNZPGI-INIZCTEOSA-N 315.461 1.761 0 40 DDAB CN(Cc1ccco1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 48273557 SFAGBXJPCVITHM-OAHLLOKOSA-N 309.387 1.849 0 40 DDAB Cc1ccccc1CNC(=O)Cn1c(=O)n(C)c2ccccc21 12770250 HAVJSWHHTCUCFN-UHFFFAOYSA-N 309.369 1.965 0 40 DDAB C[C@H](NC(=O)COn1nnc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 103052754 OCNKOKCBEKYTDS-DGAVXFQQSA-N 314.389 1.801 0 40 DDAB Cc1ccsc1C(=O)OCC(=O)NC(=O)NCc1ccco1 3384129 SIADWDKARLLAMD-UHFFFAOYSA-N 322.342 1.832 0 40 DDAB CCOC(=O)[C@@H](C)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 101919887 MQTBVFGSYIGTQZ-RISCZKNCSA-N 323.368 1.973 0 40 DDAB COC(=O)C1CCN(C(=O)COc2ccc(OC)cc2)CC1 10541827 BDTNSHPZFWDHSM-UHFFFAOYSA-N 307.346 1.486 0 40 DDAB Cc1nnc(SCC(=O)NCCCN2CCCC2=O)s1 12911123 XTJNELLJEWIMEL-UHFFFAOYSA-N 314.436 1.067 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H](C)n2cc(Cl)cn2)c(=O)[nH]1 65465450 CYYXAGVSVLBFJG-SNVBAGLBSA-N 308.769 1.719 0 40 DDAB CN(C)c1nc2c(c(NCc3cc(O)ncn3)n1)CCCC2 65458645 GVQBPKYCSMHYMA-UHFFFAOYSA-N 300.366 1.529 0 40 DDAB Cc1cccc(NC[C@@H]2CCN(CCC(=O)NC3CC3)C2)n1 65474706 VMEYMXJFMWCKEN-AWEZNQCLSA-N 302.422 1.793 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1ccccc1OC(F)(F)F 65414004 SEYWWIOEKMWCKC-QMMMGPOBSA-N 313.297 1.898 0 40 DDAB O=C(NCc1ccccc1N1CCOCC1)c1cnsn1 65565805 QMKSDEXJTBJYLB-UHFFFAOYSA-N 304.375 1.305 0 40 DDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)c(F)c1 14199915 UFDBTEKGKGVTQS-UHFFFAOYSA-N 323.343 1.458 0 40 DDAB CCOC(=O)C1=C(C)N(CC(=O)O)C(=O)N[C@H]1c1ccccc1 14246074 NXASPNKYEXNBBD-AWEZNQCLSA-N 318.329 1.675 0 40 DDAB CC[C@H](C)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 96344685 RXVDQQZIIOZRKZ-GXFFZTMASA-N 303.362 1.432 0 40 DDAB C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)NC(N)=O 7358896 UKIRTFXSTRGROK-SNVBAGLBSA-N 301.302 1.218 0 40 DDAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)COC)ccc1C 408619690 INKNKRWTDDMPPC-LLVKDONJSA-N 314.407 1.058 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)NCc2ccco2)CC1 71822717 MIBUDQDPLSCDFZ-CQSZACIVSA-N 308.426 1.352 0 40 DDAB CC1CCN(C[C@H](O)Cn2nc(-c3cccs3)oc2=O)CC1 71825087 NZCHNDPDTIRFCQ-LBPRGKRZSA-N 323.418 1.658 0 40 DDAB CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cccnc23)C1 83877734 PWNHGEFYMBPYFP-CYBMUJFWSA-N 312.373 1.384 0 40 DDAB CO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 83888822 PCBMMOGUHKBQTG-DZGCQCFKSA-N 304.390 1.832 0 40 DDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 69565158 FKXVHRCYPUZCJN-AAEUAGOBSA-N 304.394 1.488 0 40 DDAB O=C(CSc1nc(=O)ccn1C1CC1)NCC(F)(F)F 69594869 HGCQSIKHCWPCCP-UHFFFAOYSA-N 307.297 1.349 0 40 DDAB O=C(CCn1cccn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91765830 LNYOLLYXWQNXAK-WFASDCNBSA-N 321.327 1.886 0 40 DDAB COCCCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69812754 CFLATBCHKJHPOU-CQSZACIVSA-N 321.421 1.857 0 40 DDAB COc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1C 69879002 HMIJIDSSMVVYTL-CQSZACIVSA-N 319.449 1.617 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 69917760 HJXRRNRAZWSVAT-OAHLLOKOSA-N 315.421 1.975 0 40 DDAB CN(Cc1nccn1C)C(=O)NCCCOCc1ccco1 92760074 CUDYANRQWWQJSG-UHFFFAOYSA-N 306.366 1.761 0 40 DDAB Cn1c(=O)/c(=C/c2ccsc2)s/c1=C\C(=O)c1ccco1 96996655 FKKOBMNPTUCGJD-PVRNWPCDSA-N 317.391 1.594 0 40 DDAB Cc1nnc(COC(=O)c2ccc3c(c2)nnn3C)n1C1CC1 97033075 MIQLRPITCMGQSD-UHFFFAOYSA-N 312.333 1.560 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)C2=NN(CC)C(=O)CC2)no1 72299320 PIBLHMNRISIWBV-LLVKDONJSA-N 319.365 1.294 0 40 DDAB CN1C[C@H](NC(=O)Nc2ncc(-c3ccccc3)s2)C(=O)N1 97101495 IPKWIOKVOPSBBR-JTQLQIEISA-N 317.374 1.277 0 40 DDAB Cn1cc([C@@H]2OCC[C@H]2CNCc2ccc(C(N)=O)cc2)cn1 84317479 MQCKOPPNYHKGKV-GOEBONIOSA-N 314.389 1.386 0 40 DDAB NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]2C2CC2)c1 74816163 VKBPZSFPDJYEQK-HNNXBMFYSA-N 317.389 1.635 0 40 DDAB COCCN1CCC(CNC(=O)c2ccc(OC)nc2)CC1 89414422 BEVAQAMNQYSDRF-UHFFFAOYSA-N 307.394 1.178 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2CC(=O)Nc2nncs2)c1 75131905 VRDUSGQSDYHVDF-LBPRGKRZSA-N 320.422 1.536 0 40 DDAB NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cl)cc2Cl)O1 89768356 UYASKOZYZLYFMT-LDYMZIIASA-N 317.172 1.756 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)c1cccnc1OCC(F)F 89806365 MDFSJLLDFMJMQL-UHFFFAOYSA-N 310.304 1.995 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)CCn2ccccc2=O)no1 76043882 RCPOPJYAZPRTEM-LBPRGKRZSA-N 302.334 1.294 0 40 DDAB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)C(=O)c1ccccc1 408649794 AHSNBLYTSUMQTG-IUCIJCHOSA-N 314.337 1.999 0 40 DDAB C[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 79412710 GVYJKXAUPTUPLV-DZGCQCFKSA-N 319.405 1.641 0 40 DDAB COCCn1c(C(=O)NCC(C)C)nc2ccccc2c1=O 32095042 JGZYNLCGMSRBHF-UHFFFAOYSA-N 303.362 1.429 0 40 DDAB Cc1nc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)cs1 565769229 KDAVRKASCBGOQG-AWEZNQCLSA-N 317.414 1.837 0 40 DDAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)cc1OC 72324793 ZZNORGIHCLYKFO-VHDGCEQUSA-N 306.406 1.343 0 40 DDAB Cn1ccc(-c2cc(C(F)F)n3nc(CC(=O)O)nc3n2)n1 35655511 UNLHILGOVRPURY-UHFFFAOYSA-N 308.248 1.090 0 40 DDAB Cc1ccccc1[C@@H](CN1CCOCC1)N[C@@H]1C=C[C@H](CO)C1 183733986 VACCRMBAADQDHE-YQVWRLOYSA-N 316.445 1.895 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1nc(C(F)(F)F)cs1 185515515 RDFZIXLVVSHPHD-RNFRBKRXSA-N 310.297 1.270 0 40 DDAB Cc1cc(C)cc(-n2cc(C(=O)NC[C@H]3CCCO3)nn2)c1 71326418 MOFOJRQXJBQLBE-CQSZACIVSA-N 300.362 1.793 0 40 DDAB NC(=O)c1ccc(-c2nccc([C@H]3CCCN3CCO)n2)cc1 72355779 ILJJWZMQQCFHSV-OAHLLOKOSA-N 312.373 1.372 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@H](C)N[C@@H](C)C2)cc1OC 70077068 CQAPLVDBTHMURS-QWRGUYRKSA-N 314.407 1.075 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N[C@@H]2COc3ccccc32)c[nH]1 70529671 HIFYDVZZFPVTPS-LLVKDONJSA-N 308.315 1.125 0 40 DDAB C[C@]1(F)CNCCN(S(=O)(=O)Cc2ccc(F)cc2F)C1 564966783 KYSMPNRFGWIQNJ-ZDUSSCGKSA-N 322.352 1.428 0 40 DDAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1 223273635 KNPRZQROPNUFNC-UHFFFAOYSA-N 311.388 1.927 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Cl 222426213 NMPXEGHKSJAYML-MROQNXINSA-N 307.733 1.610 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2ncnc3ccccc23)CC1 528118398 QHTBEOPTTOVUST-UHFFFAOYSA-N 318.402 1.244 0 40 DDAB O=C(NCCn1cccc1)N1CCCN(C(=O)C2CC2)CC1 131539616 VXMQNEDLZSFGIZ-UHFFFAOYSA-N 304.394 1.142 0 40 DDAB Cc1noc([C@@H](C)N(C)C(=O)CCNC(=O)c2cccs2)n1 572253915 FMBQABBQXQHCCH-SECBINFHSA-N 322.390 1.779 0 40 DDAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCCO 222911247 OAZHGOXDGGSHJE-CYBMUJFWSA-N 324.396 1.697 0 40 DDAB COCCC1(c2noc([C@@H]3CCCS3(=O)=O)n2)CCC1 574100029 LDSLBNNEMYABDZ-JTQLQIEISA-N 300.380 1.778 0 40 DDAB Cc1cnc(C)c(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1 195563878 GDBIIDOIUSSCAX-NSHDSACASA-N 316.327 1.988 0 40 DDAB CCc1c(C(=O)N2CCOC[C@H]2CCOC)[nH]c(C)c1C(=N)O 330906657 DTEGDRQQRPVGMU-LLVKDONJSA-N 323.393 1.646 0 40 DDAB Cc1noc(CCNC(=O)N[C@H](C)Cc2c(C)noc2C)n1 96415401 XVCXQNWFZWBCOT-MRVPVSSYSA-N 307.354 1.456 0 40 DDAB O=S1(=O)[C@@H]2CCNCC[C@@H]2CN1Cc1ccc(Cl)cc1 96145404 LLLJBRZISBLWDL-TZMCWYRMSA-N 314.838 1.854 0 40 DDAB CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 96061127 KMOIFIGUUNAPEC-AWEZNQCLSA-N 306.410 1.022 0 40 DDAB CNC(=O)NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 96444952 CSKCDYVVXVOPJP-AWEZNQCLSA-N 304.394 1.043 0 40 DDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)[C@@H]1CCOC1)CC2 96217806 YOBBFARPLHMBMJ-RHSMWYFYSA-N 324.421 1.043 0 40 DDAB COc1ccc(Cl)c(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 96107955 SULNJZBDRZHTMN-XHDPSFHLSA-N 324.808 1.751 0 40 DDAB O=C(NC[C@@H]1CCCS1)N1CCN(Cc2ccccn2)CC1 97096634 YGXNYBDVTKHRBR-HNNXBMFYSA-N 320.462 1.804 0 40 DDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)C(C)C)C1 96244457 LTHQFOVQQVVJBT-KRWDZBQOSA-N 318.421 1.507 0 40 DDAB CN(C)C(=O)CN1CCCn2cnc(COCC3CC3)c2C1 96259967 YXJFHOMHEZBJLV-UHFFFAOYSA-N 306.410 1.104 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257201795 AJBRPWDKFZRLBO-NSHDSACASA-N 310.361 1.776 0 40 DDAB CO[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@H]1O 257307664 SZSLOLIRHYJJFQ-MGPQQGTHSA-N 317.382 1.375 0 40 DDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1ccccc1 26838538 SJHZAXTYPWSHAB-UHFFFAOYSA-N 314.370 1.746 0 40 DDAB C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NC[C@](C)(O)c1cnn(C)c1 252581818 NGRCOUBCPIKWGJ-DMEJVMROSA-N 308.426 1.752 0 40 DDAB O=C(CCc1cccnc1)N1CCC[C@H](c2ccnc(O)n2)C1 257270518 MUPBPOIMXJHEAA-AWEZNQCLSA-N 312.373 1.916 0 40 DDAB Cn1cc(N2CCC[C@H](Nc3cccc(C(=O)O)n3)C2)cn1 263437775 VZOWNTPQWNOKER-NSHDSACASA-N 301.350 1.594 0 40 DDAB CO[C@@H](CNC(=O)C(=O)Nc1cc(C)on1)c1ccccc1C 96105133 QUXKNKHHMADNOH-ZDUSSCGKSA-N 317.345 1.734 0 40 DDAB CC(C)CC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 575405815 JORYDGQGZDTIFB-HNNXBMFYSA-N 321.421 1.350 0 40 DDAB O=S(=O)(c1cncc(F)c1)N1CCC[C@@H]1c1ncccn1 907330770 AQVWMYWYGCBDTI-GFCCVEGCSA-N 308.338 1.537 0 40 DDAB CCN1c2ccccc2[C@@H]2CN(C(=O)c3ncn(C)n3)CC[C@@H]21 585109843 ZREAAUWMJFDHNF-ZFWWWQNUSA-N 311.389 1.653 0 40 DDAB O=C([C@H]1CCOC1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099070 HVEMLPSJWKEJIE-ZFWWWQNUSA-N 305.378 1.057 0 40 DDAB CSCC(=O)N1CCCN(Cc2cnn(C(C)C)c2)CC1 69624685 ZTGZUCNWEORUKT-UHFFFAOYSA-N 310.467 1.861 0 40 DDAB c1ccc(-n2cc(CN3CCCC[C@H]3Cn3cncn3)nn2)cc1 69705996 SXRBPOMMQVLMFP-KRWDZBQOSA-N 323.404 1.914 0 40 DDAB CC(C)n1nccc1NC(=O)CN1CCC[C@H]1Cn1cccn1 69740306 FMWVPOBLTHBQIR-AWEZNQCLSA-N 316.409 1.764 0 40 DDAB O=C(c1cccnc1)N1CCCC[C@H]1c1cc(CCO)[nH]n1 72385196 QUHNJXTZSPMZFQ-HNNXBMFYSA-N 300.362 1.707 0 40 DDAB C[C@H](CC(=O)O)NC(=O)Cc1ccc(Br)cc1 36966858 OAXWHHMCNXFYLQ-MRVPVSSYSA-N 300.152 1.971 0 40 DDAB CC(C)(CNC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2 58516219 OYFSBZBBLNTGRQ-UHFFFAOYSA-N 320.389 1.777 0 40 DDAB Cc1ccc(-n2nc(C)c(C(=O)NC(C)(C)C(N)=O)n2)c(C)c1 57050166 KKSFRJKRDFIGJP-UHFFFAOYSA-N 315.377 1.186 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 75606494 RCFVSSXIOBQMLL-GJZGRUSLSA-N 320.437 1.309 0 40 DDAB Cc1nn(CC(=O)NC2CCCC2)c(=O)c2cc3occc3n12 5149226 MOAVXEGIYHFBCD-UHFFFAOYSA-N 314.345 1.609 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCn2cccc2[C@H]1C(C)C 12239339 YLWBWEJGMRJKDK-OAHLLOKOSA-N 322.434 1.932 0 40 DDAB CC(C)(C)n1nc([C@H](O)[C@H](O)CO)c2nc3ccccc3nc21 16323335 QWEQVUOCNHGLPM-BXUZGUMPSA-N 316.361 1.121 0 40 DDAB Cc1cccc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c1 4910013 SBGOGRZQYJPEBD-UHFFFAOYSA-N 315.417 1.468 0 40 DDAB COCCCNC(=O)N[C@H]1CC(=O)N(c2ccc(C)cc2)C1 4359965 SCFLKGXYILGFMH-ZDUSSCGKSA-N 305.378 1.436 0 40 DDAB Cc1nn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c(=O)c2ccccc12 21301966 OKKLZDYHJJCCGE-TXEJJXNPSA-N 315.373 1.341 0 40 DDAB Cc1ccc(N2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)nn1 1888906803 CZBFTYNTAPYNAT-VXGBXAGGSA-N 322.376 1.024 0 40 DDAB O=S1(=O)CC[C@@H](NC2CCN(Cc3ccccc3)CC2)C1 21511698 JUEKRDPDUFEHBQ-MRXNPFEDSA-N 308.447 1.428 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccnn3C)cn2)n1 24650601 CUSJKZBQZKXQFK-UHFFFAOYSA-N 310.361 1.548 0 40 DDAB C[C@@H](NC(=O)c1nn(C)cc1Br)[C@H]1CCCO1 2778455 ZLRZZDHPSTZNPR-VXNVDRBHSA-N 302.172 1.480 0 40 DDAB Nc1nc(CN2CCC3(CC2)OCCO3)nc2ccccc12 32825298 YZKSNGQHYHKOCQ-UHFFFAOYSA-N 300.362 1.551 0 40 DDAB COCCOc1cc(C(=O)NCCn2ccnc2C)ccn1 245174523 YQTZCLLJJRCVNS-UHFFFAOYSA-N 304.350 1.042 0 40 DDAB CC(C)N1CCOCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1565546806 KLFMNZCPELMOEV-ZSHCYNCHSA-N 322.449 1.228 0 40 DDAB CCOC(=O)CNC(=O)CSc1ncnc2ccccc12 4162949 PMFMLPQWZUCSPN-UHFFFAOYSA-N 305.359 1.401 0 40 DDAB CCCc1nnsc1C(=O)NCCn1ccn2nccc12 206743113 OKUANBZNYXSLQU-UHFFFAOYSA-N 304.379 1.370 0 40 DDAB Cc1nnc2c(N3CC[C@@H](COc4cnccn4)C3)nccn12 2298215309 OWRUFIHRUXGCLF-GFCCVEGCSA-N 311.349 1.128 0 40 DDAB CS(=O)(=O)c1ccccc1C(=O)NCCOc1ccccc1 32971673 VSSHILRVTMAADX-UHFFFAOYSA-N 319.382 1.899 0 40 DDAB Cc1nnc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)s1 100710131 XZWWLLHHSSKOEC-UHFFFAOYSA-N 302.315 1.646 0 40 DDAB CN(C(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 31611217 RQVXIIDUHZUQNW-AWEZNQCLSA-N 319.386 1.131 0 40 DDAB Cc1noc(C)c1CNC(=O)c1nc2ccccc2c(=O)n1C 32070323 HYKRSODIXCUJBN-UHFFFAOYSA-N 312.329 1.468 0 40 DDAB COC[C@H](C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 21187775 UHSOWEZXXXIYLM-NSHDSACASA-N 300.399 1.785 0 40 DDAB Cc1cc(N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)n2ncnc2n1 101903656 DVKAOGHHQGOHGO-HRCADAONSA-N 324.432 1.767 0 40 DDAB O=C(NCCc1ccccc1)C1=NN(c2ccccc2)C(=O)CN1 32641531 YPEIEYZVPLLTCT-UHFFFAOYSA-N 322.368 1.295 0 40 DDAB CNC(=O)NC(=O)CNc1cccc(OC[C@H]2CCCO2)c1 32776685 DEBLSBQYBBHACO-CYBMUJFWSA-N 307.350 1.112 0 40 DDAB CCOc1ccc(OCCCC(=O)N2CC[C@H](C(N)=O)C2)cc1 41129143 ARJUPFIMGYRXDU-ZDUSSCGKSA-N 320.389 1.578 0 40 DDAB O=C(Cn1nnnc1C1CCCC1)N1CCO[C@H]2CCCC[C@@H]21 52893601 AYBVXIUZTMOCSZ-KBPBESRZSA-N 319.409 1.501 0 40 DDAB CC(C)COn1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 539683 CGZGPGPTIGWCKM-JTQLQIEISA-N 321.402 1.447 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 41977135 JNAFDHQEHRQBPZ-ZDUSSCGKSA-N 317.393 1.045 0 40 DDAB FC(F)(F)c1cc(NC[C@H]2CCCOC2)n2ncnc2n1 54124744 LDNNDNLEPBNPRJ-MRVPVSSYSA-N 301.272 1.982 0 40 DDAB CN1C(=O)COc2cc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)ccc21 71287295 PJWXYJYIJOWZLJ-OLZOCXBDSA-N 318.329 1.337 0 40 DDAB CC(=O)Nc1cc2c(cc1I)OCO2 71257333 KZPRZJSLLKQTSW-UHFFFAOYSA-N 305.071 1.978 0 40 DDAB in-vitro Cc1cc(-c2cccc(F)c2)nnc1N1CCO[C@@H](C(N)=O)C1 78904460 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O=S1(=O)CC[C@@H](Nc2ncnc3sc4c(c23)CCC4)C1 9605135 FRHUICPTGHVQPW-MRVPVSSYSA-N 309.416 1.779 0 40 DDAB COC(=O)C1(C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)CC1 97146830 IGTZNZPXPBLBTE-LBPRGKRZSA-N 305.378 1.911 0 40 DDAB Cn1nc(C(=O)N(Cc2cccc(F)c2)C2CC2)ccc1=O 45198971 LAXXXOTXEKBHAI-UHFFFAOYSA-N 301.321 1.724 0 40 DDAB Cc1ccc(OCc2ccc(C(=O)NC3=NCC(=O)N3)o2)cc1 95954058 OLDXCXDWIBCLFQ-UHFFFAOYSA-N 313.313 1.383 0 40 DDAB NC(=O)N1CC[C@@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)C1 95992066 XYGIJLRUHQMMSX-LLVKDONJSA-N 323.343 1.656 0 40 DDAB O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccoc2)C1 28996327 ZISFMZTVKHFRIP-VIFPVBQESA-N 304.268 1.810 0 40 DDAB C[C@@H](Cn1cccn1)NCC(=O)N1CCc2sccc2C1 47944498 OSZSGUNAQMZEMT-LBPRGKRZSA-N 304.419 1.508 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1 36965445 ZGEISVXWJAUTLX-GFCCVEGCSA-N 317.363 1.091 0 40 DDAB Cc1cc(NC(=O)c2nnc3ccc(Cl)cc3n2)nn1C 57279284 LYXDKIKUQNVHOS-UHFFFAOYSA-N 302.725 1.972 0 40 DDAB COCCn1cc(C(=O)NCCc2cccc(F)c2)ccc1=O 47245685 YAEGDLCCXWIDHI-UHFFFAOYSA-N 318.348 1.606 0 40 DDAB Cc1[nH]ncc1C(=O)NC[C@H](CO)Cc1ccc(Cl)cc1 95407031 CMSWEWNPJICYPY-GFCCVEGCSA-N 307.781 1.953 0 40 DDAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100159428 MFXRVNBWYHSTOY-OJVARPOJSA-N 309.321 1.942 0 40 DDAB CC[C@@H](C)NC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1 57355800 XNBXWAJCTIGTIX-GFCCVEGCSA-N 322.409 1.340 0 40 DDAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nncn1C 3378568 CSWVDFQQNOTSIL-UHFFFAOYSA-N 306.347 1.553 0 40 DDAB O=C1NC(=O)c2c(NC(=O)[C@@H]3COc4ccccc4O3)cccc21 3313066 HHWUENXEHRNNBO-ZDUSSCGKSA-N 324.292 1.349 0 40 DDAB Cc1cc(C)c(CNC(=O)Cc2ccc3c(c2)CCO3)c(=O)[nH]1 12826062 BRPDEJCWKLAIBV-UHFFFAOYSA-N 312.369 1.786 0 40 DDAB Cc1ccccc1N1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C 4249404 CYCWCKHCVRWBEH-UHFFFAOYSA-N 311.345 1.274 0 40 DDAB Cc1nc(C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3)CC2)n[nH]1 95426491 BSSQUXWSTDYBSI-ILXRZTDVSA-N 317.437 1.740 0 40 DDAB CCc1ccc(N2CCN(C(=O)CN3CCCC3=O)CC2)cc1 6243601 NCVYILZJRVSIAT-UHFFFAOYSA-N 315.417 1.520 0 40 DDAB Cc1cc(N2CCC[C@H]2C(=O)NCC(F)(F)F)nc(C)n1 65419269 UYRWMCJZQAUVRH-JTQLQIEISA-N 302.300 1.741 0 40 DDAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1 65530348 NMGWKDQQRZUEPX-HNNXBMFYSA-N 312.373 1.264 0 40 DDAB CCOc1ccc(OCC(=O)Nc2ncc(C(N)=O)s2)cc1 14190704 UEKQFGVCHLGZPR-UHFFFAOYSA-N 321.358 1.658 0 40 DDAB O=C(NCc1ccccc1CO)c1ccnc(-n2ccnc2)c1 66049083 WLLOYKQGJVXGKL-UHFFFAOYSA-N 308.341 1.690 0 40 DDAB COC[C@@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O 66083067 NPTKFBABXYVGQS-MRXNPFEDSA-N 315.329 1.799 0 40 DDAB C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)NC1CC1 5655069 YOJRBZTXIWLFHN-JTQLQIEISA-N 307.321 1.999 0 40 DDAB CC1CCN(C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 67469541 PPNHKADOLVLTSA-UHFFFAOYSA-N 318.421 1.524 0 40 DDAB Cc1cc(=O)n2c(n1)N(C(=O)Cc1c[nH]c3ccccc13)CC2 95462355 GESQCEWBMOYVBR-UHFFFAOYSA-N 308.341 1.622 0 40 DDAB CCO[C@H](CCN(C)C)CNC(=O)Cc1ccc(OC)cc1 84800650 LSQPDLCFJYCZPW-MRXNPFEDSA-N 308.422 1.711 0 40 DDAB O=C1Nc2ccccc2C12CCC(NC[C@@]1(O)CCOC1)CC2 90849023 QTBCBDJRHBUGOF-VXVMZULRSA-N 316.401 1.560 0 40 DDAB Cc1ccn2ncc(C(=O)NC[C@H]3CCCN(C(C)C)C3)c2n1 68764300 WBTPERRSPLKSHX-CQSZACIVSA-N 315.421 1.888 0 40 DDAB CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71841520 BPYYXVBEMTUHLW-KWCYVHTRSA-N 308.353 1.011 0 40 DDAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)NC[C@@H]1CCCO1 8231649 DJVCVGSSLOPHBL-YPMHNXCESA-N 306.362 1.708 0 40 DDAB CCO[C@@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 70021105 QRQHIGUWQOURGH-GOEBONIOSA-N 306.406 1.289 0 40 DDAB COCCS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1 69323040 YNNKEPFKNZRMFM-UHFFFAOYSA-N 311.403 1.733 0 40 DDAB CC1(C)CN(C2(CNC(=O)[C@@H]3CCOC3)CCCCC2)CCO1 71888880 GUEBPOYBUYEBIH-OAHLLOKOSA-N 324.465 1.953 0 40 DDAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)no1 69488662 PCNZSNDRUAACHN-CQSZACIVSA-N 313.357 1.603 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)cn12 69778936 WKYBJKLFUAIKKP-GJZGRUSLSA-N 313.405 1.737 0 40 DDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2cccc(C)c2)CC1 69820170 WKFJDOFDJIXROX-QGZVFWFLSA-N 320.433 1.079 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@@H](C1CCCCC1)N(C)C 89310134 MGVUACSLFZHUAC-AWEZNQCLSA-N 322.457 1.608 0 40 DDAB C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)N1CCOCC1 8776983 ZGDJFFVIJGCZTO-SNVBAGLBSA-N 320.374 1.471 0 40 DDAB Cc1cc(C)c(CNC(=O)CN2CCc3ccccc32)c(=O)[nH]1 75122945 ADNRFLYFEQYMQO-UHFFFAOYSA-N 311.385 1.671 0 40 DDAB Cn1cc([C@@]2(C)CN(C(=O)Cc3ccccc3O)CCO2)cn1 89919535 SUJJBFCSKINWJV-QGZVFWFLSA-N 315.373 1.442 0 40 DDAB COCC(=O)N1CC[C@@]2(c3ccccc3)CCN(C)C(=O)C[C@H]12 306132179 LAXGJGKJYYFJQG-MAUKXSAKSA-N 316.401 1.424 0 40 DDAB Cc1nc(C)c(C(=O)N[C@]2(CO)COc3ccccc3C2)s1 529818532 BCYJHEWYOJFNJN-MRXNPFEDSA-N 318.398 1.856 0 40 DDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O)c(OC)c1 66091590 ARZKNNZRUBWUJM-CYBMUJFWSA-N 316.317 1.454 0 40 DDAB CC(C)(C)[S@](=O)CCNC(=O)COc1ccccc1F 79001889 WDECKJZVIVITGR-FQEVSTJZSA-N 301.383 1.868 0 40 DDAB Cc1cc(S(=O)(=O)NC(C)(C)CC(N)=O)cc(C)c1F 186710498 QLUZZUWODXQVTD-UHFFFAOYSA-N 302.371 1.375 0 40 DDAB CCC(CC)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 79050134 SCDGBHJJUZZJLJ-UHFFFAOYSA-N 311.470 1.825 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nn1 72387323 NKDIBOYUURXHJE-NSHDSACASA-N 300.366 1.336 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(N)CO)cc1 218050427 JXBFZNILVDCIJW-ZACQAIPSSA-N 317.410 1.625 0 40 DDAB CCOc1ccccc1C(=O)NCc1nnc2n1CCCC2 41140262 UQIGMRMBUFRMSH-UHFFFAOYSA-N 300.362 1.943 0 40 DDAB O=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)C1CC1 225588965 PFUHCKSMGPHYJM-CYBMUJFWSA-N 313.400 1.659 0 40 DDAB Cc1nnc(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)s1 44450483 SPSMXPFLXMCFMR-SSDOTTSWSA-N 316.346 1.151 0 40 DDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(C)c(C)c1 48991459 DOGZOCNJLLFLHD-UHFFFAOYSA-N 309.347 1.614 0 40 DDAB CCN1CCO[C@H](C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)C1 83003460 VVXNKDQERIAREE-YOEHRIQHSA-N 317.433 1.574 0 40 DDAB Cc1cccc2c1cnn2CCC(=O)NCCC(=O)N(C)C 223293179 HHJCGGOAJNJMLF-UHFFFAOYSA-N 302.378 1.329 0 40 DDAB COC[C@H]1CN(C(=O)NCCc2c(F)cccc2F)CCO1 96439126 RSYIOBLHTWYEPW-LLVKDONJSA-N 314.332 1.564 0 40 DDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccccn1 95472820 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1.932 0 40 DDAB CN(C)CC(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 247999301 NIVFUKCFEHDNSZ-CQSZACIVSA-N 321.446 1.246 0 40 DDAB COCC(=O)NCC[C@H]1CN(C2CCCC2)Cc2ccnn21 247824599 JBSLYMXDULGAEP-AWEZNQCLSA-N 306.410 1.335 0 40 DDAB Nc1nccnc1[C@@H]1CN(C(=O)Cc2ccsc2)CCO1 257289778 QADHGZJMICDCPG-NSHDSACASA-N 304.375 1.263 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ncoc2C)n1 257338639 YYGZJZDNLMXYFL-NSHDSACASA-N 317.349 1.337 0 40 DDAB Cn1cncc1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257267304 MGRLKUMMZJBVPJ-LLVKDONJSA-N 321.406 1.016 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)N1CCC2(CC1)OCCC[C@@H]2O 257239113 HOABQNSYEODAKW-HNNXBMFYSA-N 321.421 1.112 0 40 DDAB O=C(O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O 257198116 TYJSDLLHRRVXRZ-UHFFFAOYSA-N 304.277 1.002 0 40 DDAB CO[C@](C)(CNC(=O)C(=O)Nc1ccon1)c1ccccc1F 96123623 DYDMIXFGNMNXLY-OAHLLOKOSA-N 321.308 1.430 0 40 DDAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)N(C)Cc1ccccc1F 585280968 QZTASMRFWYSLKZ-HOCLYGCPSA-N 322.380 1.668 0 40 DDAB CC(=O)NC1CCN(C(=O)Cc2c(C)nc3ccccn23)CC1 585171868 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SOKLBAMYPJNHSF-UHFFFAOYSA-N 324.340 1.665 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1 13849625 XTDNBWIBRZXAAB-UHFFFAOYSA-N 304.371 1.824 0 40 DDAB CCn1nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O 14166704 NIRMSDRVVIWJGO-RYUDHWBXSA-N 315.373 1.666 0 40 DDAB CN(C)CN1C(=O)[C@]2(NC(=O)c3ccccc3O2)c2ccccc21 14608286 CYBZRAMBFMZSKG-SFHVURJKSA-N 323.352 1.528 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 16959168 PWWUFPCHCVHMRV-LBPRGKRZSA-N 316.810 1.380 0 40 DDAB CCOc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 17031171 OABOSBXICQEOPN-CRWXNKLISA-N 305.330 1.902 0 40 DDAB CN1CCc2nc(N)c(C(=O)N(C)CC(F)(F)F)cc2C1 19700642 IWQAXRKIPXCWKS-UHFFFAOYSA-N 302.300 1.286 0 40 DDAB COC(=O)c1snnc1CNC(=O)OCc1ccccc1 19717398 MNHAACHVDJIUFO-UHFFFAOYSA-N 307.331 1.751 0 40 DDAB COCC(=O)NCC[C@H]1CCCCN1Cc1cnn(C)c1C 19749018 AEUHVJIREWAJAG-OAHLLOKOSA-N 308.426 1.236 0 40 DDAB C/N=c1/ss/c(=N\S(=O)(=O)c2ccc(C)cc2)n1C 8101038 OBTFNSYFIDOFKV-FAEGWCMCSA-N 315.445 1.277 0 40 DDAB COC(=O)C1CCN(C(=S)NC(=O)c2ccccc2C)CC1 226349939 XOJOHEOXNCHEKT-UHFFFAOYSA-N 320.414 1.895 0 40 DDAB CC(C)NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 2952019 NNYLWBIZSQQXRT-UHFFFAOYSA-N 317.389 1.775 0 40 DDAB O=S(=O)(N[C@@H]1CCCN(Cc2ccccc2F)C1)C1CC1 1889130319 LFJNZMCINLOZTK-CYBMUJFWSA-N 312.410 1.872 0 40 DDAB CCN(CC(=O)NC(C)C)C(=O)COc1cccc(C(C)=O)c1 25255274 SSGHAHZYBLRWJD-UHFFFAOYSA-N 320.389 1.641 0 40 DDAB CCn1ncc(Br)c1C(=O)NCc1ccncc1 28576022 GMBGACJRFRNQRF-UHFFFAOYSA-N 309.167 1.991 0 40 DDAB C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 37413232 NXICTSNVLPMRNE-SSDOTTSWSA-N 311.281 1.847 0 40 DDAB CN(C)C(=O)NC[C@@H]1CC12CCN(C(=O)C1(F)CCC1)CC2 1614947472 ORLDNUJPJVFBIM-LBPRGKRZSA-N 311.401 1.779 0 40 DDAB O=C(C1CC(F)(F)C1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@@H]2C1 1565548027 WMDPKJGFMRQVFQ-DGCLKSJQSA-N 312.360 1.749 0 40 DDAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1 425346 UKJVSVOXCZPVLK-UHFFFAOYSA-N 319.386 1.308 0 40 DDAB Cc1cc(O)ccc1NC(=O)C[C@@H](NCc1ccco1)C(=O)O 10186481 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Nc1nc(Cl)cc(N(C[C@H]2CCCO2)C[C@H]2CCCO2)n1 52314542 RJQUOPILJZKSSW-GHMZBOCLSA-N 312.801 1.877 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)NCCc1cccc2cccnc12 32901493 YVTBVKQOKFHDAK-CQSZACIVSA-N 314.389 1.586 0 40 DDAB CC(C)=C[C@H]1[C@@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(C)C 52743921 LGLAZVSKCVPZAQ-STQMWFEESA-N 308.422 1.623 0 40 DDAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCOCC1)C(=O)C2 415912 UFVYTBAYGAJUQD-BXUZGUMPSA-N 301.408 1.044 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 22239902 HWJFLDVLDSXRJH-DTORHVGOSA-N 319.404 1.333 0 40 DDAB O=C(CCn1cncn1)NC[C@@H](c1ccco1)N1CCCCC1 41948727 DWZMGNHREOFIIJ-AWEZNQCLSA-N 317.393 1.605 0 40 DDAB COc1cccc(CC(=O)NC[C@H](C(C)C)N2CCOCC2)c1 41934303 XGXGWDNHADWHES-QGZVFWFLSA-N 320.433 1.711 0 40 DDAB C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)C(N)=O 54277660 CPIPZHBRNOHYAU-LLVKDONJSA-N 324.340 1.736 0 40 DDAB C[C@H]1C[C@H]1c1cc(NC(=O)c2c[nH]c3c(cnn3C)c2=O)[nH]n1 97162488 QWELWJSYCPFDEA-JGVFFNPUSA-N 312.333 1.360 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606837 MRFTWHTYCOQQHY-SNVBAGLBSA-N 302.421 1.237 0 40 DDAB Cc1cc(O)nc2nnc(SCC(=O)NC3CCCC3)n12 4249919 FUQYJNBTJSRPMC-UHFFFAOYSA-N 307.379 1.289 0 40 DDAB O=C(O)C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O 6345317 BKEZUXWHLDKFAS-GFCCVEGCSA-N 302.286 1.889 0 40 DDAB COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 6579848 BDSSOJFMEYFZIB-KPKJPENVSA-N 320.345 1.382 0 40 DDAB COc1cccc(-c2noc(C(=O)NC[C@@H]3CCCO3)n2)c1 1428899 WYKCQDAWHSPBAA-LBPRGKRZSA-N 303.318 1.654 0 40 DDAB CC1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 7684508 ACAXDACXWQQMCF-UHFFFAOYSA-N 309.391 1.713 0 40 DDAB Cc1cccc(C)c1OCCCNC(=O)N1CC[C@H](C(N)=O)C1 56785416 OCKOYEOOIVHTNJ-AWEZNQCLSA-N 319.405 1.589 0 40 DDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 108080172 MAUYKLFUFQYXKW-MGPQQGTHSA-N 306.337 1.790 0 40 DDAB CN1CCN(C(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1 56290824 PJZZYZSCBZXNLK-UHFFFAOYSA-N 324.384 1.722 0 40 DDAB C[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccco1 27632689 NFNGCHGCGRIBCZ-ZDUSSCGKSA-N 315.377 1.069 0 40 DDAB COc1ccc([C@H](NC(=O)NC[C@@H](C)O)c2nccn2C)cc1 44948503 GRGWXHZEEUVTEX-RISCZKNCSA-N 318.377 1.198 0 40 DDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 9481533 OHRBAFYCAPUXEZ-QWRGUYRKSA-N 316.835 1.989 0 40 DDAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n[nH]c1=O 9739312 SWKNIGLXNYDJAR-QWRGUYRKSA-N 312.439 1.863 0 40 DDAB Cc1nccn1-c1cc(CNC(=O)COCC2CC2)ccn1 58307097 XNJKVKGOQWTJAP-UHFFFAOYSA-N 300.362 1.619 0 40 DDAB CCOC(=O)CCNC(=O)CCc1nc(-c2cccnc2)no1 58323525 SPGAAMQGTYMWAR-UHFFFAOYSA-N 318.333 1.134 0 40 DDAB COCCN(C1CC1)S(=O)(=O)c1ccsc1C(=O)OC 58304990 MATDJYCTTDSGOM-UHFFFAOYSA-N 319.404 1.334 0 40 DDAB CC(C)CCO[C@H](C)C(=O)NCCN1C[C@H](C)O[C@@H](C)C1 58430736 BBIWAFLLKLDPAX-SOUVJXGZSA-N 300.443 1.663 0 40 DDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCCCCC1 102801122 QDEKDVBQWZTJEH-JURCDPSOSA-N 302.374 1.196 0 40 DDAB Cn1nccc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1ccncc1 100210037 XJXODZHBDAKOBG-ZIAGYGMSSA-N 312.373 1.470 0 40 DDAB CCCN1CCC(NC(=O)c2cncc(C(=O)OC)c2)CC1 95451405 IXSXPQUUSGDYBH-UHFFFAOYSA-N 305.378 1.472 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccccn1 28924295 QBZBREQXRDNUNT-INIZCTEOSA-N 310.357 1.418 0 40 DDAB Cc1cc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)on1 11424792 ANIOYTYPKRQIBH-UHFFFAOYSA-N 318.362 1.768 0 40 DDAB Cc1[nH]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1 61718626 GULSWIZNDZSPQR-CYBMUJFWSA-N 306.387 1.435 0 40 DDAB COC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314897 YXXQWSCKJJGTMP-JTQLQIEISA-N 300.380 1.131 0 40 DDAB CN(CCCc1ccccc1)Cc1nc(N)nc(N(C)C)n1 48363606 WYQVEBMDMKBLNT-UHFFFAOYSA-N 300.410 1.584 0 40 DDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1ccccc1Cl 12863870 FHQNUJLKXKAUJG-UHFFFAOYSA-N 306.801 1.805 0 40 DDAB C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)NC(N)=O 3485914 IJUUVZLXEBRNSX-LURJTMIESA-N 322.415 1.856 0 40 DDAB COc1ccc(CCC(=O)NCCN2CCOCC2)cc1OC 22690007 MDOGOPWVQNNROU-UHFFFAOYSA-N 322.405 1.085 0 40 DDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1c(C)nn(C)c1Cl 48666304 BREWGDMRDAXVKQ-VIFPVBQESA-N 322.862 1.391 0 40 DDAB Cc1ncn(C[C@H](O)COc2cccc3[nH]ccc23)c(=O)c1C 97238494 VOLSOBWVEHPNJA-ZDUSSCGKSA-N 313.357 1.781 0 40 DDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 3901336 DQEZVRWVDDZINX-GFCCVEGCSA-N 306.362 1.201 0 40 DDAB C[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCN1CC(F)(F)F 95447383 MRIHLRORNPMUMY-YPMHNXCESA-N 323.359 1.834 0 40 DDAB CNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 5060295 FSWUPADGCTVNEO-UHFFFAOYSA-N 316.382 1.917 0 40 DDAB COc1ccc2cc([C@H](C)C(=O)N(C)CC(N)=O)ccc2c1 65550382 ZUOVMFWHNUEDEA-NSHDSACASA-N 300.358 1.896 0 40 DDAB Cc1ccc(CNC(=O)COCC(=O)Nc2ccccc2)o1 9355380 CNVKBHUEXDOWDL-UHFFFAOYSA-N 302.330 1.860 0 40 DDAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(N)=O)C1=O 5305829 UAWHYGGDRGWHEO-HNNXBMFYSA-N 307.325 1.248 0 40 DDAB COc1ccc(C(=O)NCC(C)(C)N2CCOCC2)c(F)c1 14184598 YRBYXWALXARCGM-UHFFFAOYSA-N 310.369 1.675 0 40 DDAB O=C(c1ccco1)N1CCN(C(=O)c2cccnc2Cl)CC1 14240655 FFETUQRYFYMLTD-UHFFFAOYSA-N 319.748 1.926 0 40 DDAB O=C(Cc1n[nH]c(-c2ccncc2)n1)NCCc1ccccc1 15085143 FAVXFXLRAZUZDW-UHFFFAOYSA-N 307.357 1.768 0 40 DDAB Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1c(F)cccc1Cl 4911563 FIHRZYOXQFKTAB-UHFFFAOYSA-N 308.700 1.264 0 40 DDAB CN1CCC[C@@H](N2CCN(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)C1 97374274 WKXNANZSMWRFNA-UHFFFAOYSA-N 413.393 2.664 0 40 DDAB Cc1ccsc1CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 96413086 UDOQQMPTKGBJQP-GHMZBOCLSA-N 316.448 1.774 0 40 DDAB CCOc1ccc(NC(=O)NC(=O)COC(C)=O)cc1OCC 7110575 JVNBXDJUJTXMIB-UHFFFAOYSA-N 324.333 1.695 0 40 DDAB CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)OCCO2 7305334 FKMBWGWNVJRARS-UHFFFAOYSA-N 309.343 1.872 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 7422858 FLZZMKZFFIOVEA-UHFFFAOYSA-N 310.331 1.961 0 40 DDAB Cc1occc1-c1nnc(SCC(=O)N2CCOC2=O)n1C 7733876 FAIUOUMYMDZMFW-UHFFFAOYSA-N 322.346 1.454 0 40 DDAB COCCc1noc(CN2CCC[C@H]2c2c(C)nn(C)c2C)n1 71876734 ZDPBUPJGBLBHNZ-ZDUSSCGKSA-N 319.409 1.946 0 40 DDAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCC[C@@H]1Cn1cncn1 71875128 NCIASFXVSGCADI-QWHCGFSZSA-N 324.388 1.740 0 40 DDAB C[C@@H](Cn1cccn1)NC[C@@H](O)CN1CCc2ccccc2C1 71877176 IENVCDXVNNQILO-MAUKXSAKSA-N 314.433 1.280 0 40 DDAB O=C(CCc1nccs1)N1CCC[C@H](N2CCNC2=O)C1 71841638 IKOMHTQSDDWHNK-NSHDSACASA-N 308.407 1.092 0 40 DDAB O=C(c1n[nH]c2c1CCC2)N1CCC(Nc2cccnn2)CC1 71863387 XWKWLXMRFUMJCH-UHFFFAOYSA-N 312.377 1.405 0 40 DDAB COc1ccc([C@H]2CCCN2C(=O)c2cn[nH]n2)c(OC)c1 71819841 AMEKIDHJMIVOQO-CYBMUJFWSA-N 302.334 1.799 0 40 DDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(F)cc1 16695812 LXNVJBJSKHWPOQ-UHFFFAOYSA-N 301.277 1.894 0 40 DDAB CC(C)(CNC(=O)CCc1ccccc1)N1CCS(=O)CC1 71905631 QXOHJWISINADTM-UHFFFAOYSA-N 322.474 1.578 0 40 DDAB CN1CCCN(c2ncnc3c2nnn3-c2ccccc2)CC1 69195179 QPFLVBULTYHANL-UHFFFAOYSA-N 309.377 1.352 0 40 DDAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCNC1=O 8257629 CWCLBNWCGAPDSF-MRVPVSSYSA-N 321.406 1.523 0 40 DDAB COc1c[nH]c(C(=O)NCCc2c[nH]c3ccccc23)cc1=O 16968316 RIZUJOQWQNZXJV-UHFFFAOYSA-N 311.341 1.837 0 40 DDAB biogenic Cc1cccc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)n1 69372981 NQMQKTGWGWLCMX-UHFFFAOYSA-N 313.423 1.180 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1c1ncnc2c1cnn2C 69560821 ZHWSPBOIJBYRLJ-GFCCVEGCSA-N 302.382 1.201 0 40 DDAB CCCc1noc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)n1 69589555 PGAQAIDAQSIWCW-KBPBESRZSA-N 306.410 1.997 0 40 DDAB Cn1cc(CN2CCCN(C(=O)c3cc(Cl)c[nH]3)CC2)cn1 69652478 BSZZFBMHGLEYAT-UHFFFAOYSA-N 321.812 1.750 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CSCC1=O 69782831 AFZGHXMGCCATJP-UHFFFAOYSA-N 322.386 1.297 0 40 DDAB CCOC(=O)c1nc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cs1 69811739 MRUZQEHNKQWSTI-VHSXEESVSA-N 311.407 1.406 0 40 DDAB CN1CC[C@H](N2CCN(C(=O)CC3CCCCC3)CC2)C1=O 69977571 KEPBAPSVCHEUKJ-HNNXBMFYSA-N 307.438 1.332 0 40 DDAB COCCN1CC[C@@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 72271491 OJXGJGSQFGVINO-CQSZACIVSA-N 323.441 1.923 0 40 DDAB C[C@H](CNC(=O)NC[C@@H]1CCCO1)N(C)Cc1ccccc1 72277995 LLRVJVNCTDDERH-ZBFHGGJFSA-N 305.422 1.985 0 40 DDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1nccnc1N 72253167 ZIBTYNAZJMPSNZ-LLVKDONJSA-N 300.366 1.386 0 40 DDAB CCn1ncc2c1CCC[C@@H]2N[C@H](C)C(=O)NCC(F)(F)F 72299764 LTZATHKFLSTRFA-KOLCDFICSA-N 318.343 1.937 0 40 DDAB C[C@](O)(CNC(=O)c1csc(Br)c1)C(=O)O 85231514 HSKCHDNPDUGTMY-VIFPVBQESA-N 308.153 1.076 0 40 DDAB Cc1noc(CNC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n1 74066707 KGOOHCZNRKIHMR-ZFWWWQNUSA-N 316.361 1.955 0 40 DDAB Clc1ccc(Cc2nnn(CCn3cncn3)n2)cc1Cl 95964979 MMZBBJRCVNLARR-UHFFFAOYSA-N 324.175 1.862 0 40 DDAB CC(=O)N[C@H](CC(=O)NCC(C)(C)C(=O)O)c1ccccc1 95970747 XMZXFSGOJZOZKX-CYBMUJFWSA-N 306.362 1.481 0 40 DDAB O=C(NCc1cc(Cl)cc2c1OCC2)N(CCO)C1CC1 95939504 UXIGYBMSYQEWGG-UHFFFAOYSA-N 310.781 1.941 0 40 DDAB Cc1nc(Cl)ccc1COC(=O)[C@@H]1CCCN(C(N)=O)C1 89536926 LELSINIZAQHBOK-SNVBAGLBSA-N 311.769 1.877 0 40 DDAB CN(c1ncnc2c1CCC2)[C@H]1CCCN(c2cccnn2)C1 75128527 IMYWCQVJSQHQFG-ZDUSSCGKSA-N 310.405 1.861 0 40 DDAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CNC(=O)N3)cn2)cc1 89637084 WBCWAUABJLXHRN-ZDUSSCGKSA-N 312.329 1.802 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc21)Nc1ccc2[nH]nnc2c1 89866461 ZQTQUEOMMGQETP-UHFFFAOYSA-N 308.301 1.240 0 40 DDAB COc1ccnc(N2CCC[C@H]2c2c(C)nn(C)c2OC)n1 75584772 POYHWAHDZCCMOQ-NSHDSACASA-N 303.366 1.877 0 40 DDAB COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1 28466009 NOAACYKZOQIMSD-NSHDSACASA-N 313.313 1.068 0 40 DDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2C2CC2)C1 555709550 GZXQVXPFUZMQEB-ZDEQEGDKSA-N 300.424 1.440 0 40 DDAB CC[C@]1(O)CCN(C(=O)Nc2cccnc2N2CCOCC2)C1 548319003 NWMPYYMYSALNAT-INIZCTEOSA-N 320.393 1.297 0 40 DDAB O=C(CNC(=O)c1cccc(OC(F)F)c1)NCc1ccco1 33018849 YEPMSBKWYPPXAG-UHFFFAOYSA-N 324.283 1.927 0 40 DDAB CC(C)(C)c1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)no1 35898071 DBAAUTFTBPGWEZ-ULCXWNMLSA-N 308.334 1.789 0 40 DDAB CCC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408536372 WIEFNCKPPVKQPD-UHFFFAOYSA-N 318.377 1.062 0 40 DDAB CC(=O)N1CCC[C@H]1c1nc(C)cc(N2CCC(O)CC2)n1 72364939 HQZHOCOAAOOQCT-AWEZNQCLSA-N 304.394 1.430 0 40 DDAB O=C(NC[C@H]1CCCN(C(=O)c2ccncc2)C1)c1ccco1 72324234 YBTQIMSFZQUERO-CYBMUJFWSA-N 313.357 1.957 0 40 DDAB C[C@H](O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 69980800 IWSGYRMVTMWBRR-KGLIPLIRSA-N 308.397 1.844 0 40 DDAB NC(=O)CN1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 72367835 YMCQTFQOGJYVAK-JTQLQIEISA-N 318.406 1.341 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccn3)c2)C1 72239017 VEFGFMFVDHIASM-LBPRGKRZSA-N 306.391 1.688 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)ccc1F 77937670 RRXBQOOFPPCZRG-TVQRCGJNSA-N 312.316 1.571 0 40 DDAB O=C(Nc1cc(CCc2ccccc2)n[nH]1)[C@@H]1COCCO1 77037043 LEJIKZPJSGUFGA-AWEZNQCLSA-N 301.346 1.549 0 40 DDAB Cc1ccc(F)c(NC(=O)C(=O)NCCCc2nc(C)no2)c1 77837408 OFYFYJXPFVDKNN-UHFFFAOYSA-N 320.324 1.513 0 40 DDAB CN(C[C@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 79410987 LUWZVDHLYVWBPT-MRXNPFEDSA-N 306.406 1.959 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)C(=O)NCc2ccc(F)cc2)o1 49026906 PEXJDETXSYQVDL-CYBMUJFWSA-N 320.320 1.193 0 40 DDAB O=C(O)c1n[nH]c2c(I)cccc2c1=O 199720155 IAJLSQWXGSRUDK-UHFFFAOYSA-N 316.054 1.226 0 40 DDAB Cc1cn(-c2ccccc2)nc1OCC(=O)NCCN(C)C 226852375 ZTRFBJOOAARZET-UHFFFAOYSA-N 302.378 1.237 0 40 DDAB CC(C)CC[C@](C)(O)CNC(=O)C1(O)Cc2ccccc2C1 81484903 FXZADOXVSYPWOD-KRWDZBQOSA-N 305.418 1.820 0 40 DDAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CCCOC1 88237098 QZHVFJWLAKLNQG-GWCFXTLKSA-N 324.327 1.613 0 40 DDAB COC(=O)[C@H](NCc1nc2cc(Cl)ccc2n1C)[C@H](C)O 191963061 CKJKMNWKHVPOSL-ISVAXAHUSA-N 311.769 1.239 0 40 DDAB Cn1cc(-c2noc(C3(NC(=O)OC(C)(C)C)CC3)n2)cn1 96471675 CKOSZJRMLRVPBS-UHFFFAOYSA-N 305.338 1.984 0 40 DDAB O=C(c1ccccn1)N1CCc2ncc(Cn3cccn3)n2CC1 96196959 FOUSDXLDVSCETC-UHFFFAOYSA-N 322.372 1.221 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@H](OC)c1ccccc1C 96104937 WOLNFCPDLXXYJB-AWEZNQCLSA-N 303.362 1.855 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)[C@H](O)c1ccccc1 95461587 AHDPWJZLOOBJNW-MRXNPFEDSA-N 301.390 1.819 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1C 96413597 SVIRPHOSLCIHIS-ZBEGNZNMSA-N 310.369 1.986 0 40 DDAB CCN(C)c1ncnc2c1CCN(C(=O)[C@H]1CCCO1)CC2 96255815 VIGRRCPGVPZUIF-CQSZACIVSA-N 304.394 1.039 0 40 DDAB CCO[C@@H]1CN(C(=O)c2cccnc2OC)[C@@H]2CCCO[C@H]12 96042350 RTWJLWZFPFZZJN-MCIONIFRSA-N 306.362 1.499 0 40 DDAB CCn1cc2c(n1)CN(C(=O)CN(C)C)C[C@H]2COCC1CC1 96100102 DJVUHAOGLLCNHX-AWEZNQCLSA-N 320.437 1.317 0 40 DDAB CN(C)C(=O)[C@H]1CO[C@H]2CCN(Cc3nccs3)C[C@H]2C1 96042637 FPZIDUWHAYAOCU-UPJWGTAASA-N 309.435 1.458 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2Cc2nccs2)N1Cc1ccncc1 96055676 QQHQBDRHKSCTLZ-UONOGXRCSA-N 314.414 1.914 0 40 DDAB CC(C)N1[C@H]2CC[C@@H]1CN(C(=O)c1nccn3ccnc13)CC2 96444826 KWGQDGWWKNZJAB-UONOGXRCSA-N 313.405 1.817 0 40 DDAB CSCC[C@@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 96436850 XSSIHFPIIQAHMQ-CQSZACIVSA-N 322.478 1.461 0 40 DDAB CCCn1ccc(C(=O)N2CC[C@@H](c3nc(C)cn3C)C2)n1 257243915 IJCKNHXFYWHJTM-CYBMUJFWSA-N 301.394 1.965 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@H]2c2ccncn2)on1 257292677 QMNFUZUJKINIOR-ZDUSSCGKSA-N 302.334 1.770 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1cccnc1 257206258 BCPYVWYQBODQTL-CYBMUJFWSA-N 320.418 1.935 0 40 DDAB Cn1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 257268758 MNACRZXGECSDHS-NSHDSACASA-N 321.406 1.016 0 40 DDAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2Cc2cncn2C)n1 257225853 FIDQOIMADSQVSP-MRXNPFEDSA-N 314.393 1.129 0 40 DDAB C[C@]1(c2ncc(CNC(=O)c3cccnn3)cn2)CCCCO1 257200234 ACNLJMPCPPJTQG-MRXNPFEDSA-N 313.361 1.612 0 40 DDAB O=C(N[C@@H]1CCc2ncnn2C1)N[C@H](c1ccccc1)C(F)F 294169320 JBOLQFUZACHFSD-DGCLKSJQSA-N 321.331 1.899 0 40 DDAB CCCCC(=O)N1CC2(CC[C@@H](CN3CCCC3=O)CO2)C1 575406352 XBYHKVIWRWMERG-AWEZNQCLSA-N 308.422 1.807 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ccc(C)cn2)C1 585277508 MORVSKRZVRRUFF-QGZVFWFLSA-N 319.405 1.537 0 40 DDAB Cc1nc(CNC(=O)[C@H]2CC23CCOCC3)sc1C(=O)O 679398862 OPMLZOTUGWHXAN-SECBINFHSA-N 310.375 1.583 0 40 DDAB O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1cccs1 159359734 DOTIRNONVQMAAJ-LLVKDONJSA-N 309.416 1.700 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 69738694 MHXOFXFVQMDPCG-VUDGCMKMSA-N 316.357 1.413 0 40 DDAB COc1ccccc1-c1nc(CS(=O)(=O)CCO)cs1 72312661 QKEUZWJPHPSOTJ-UHFFFAOYSA-N 313.400 1.726 0 40 DDAB O=C(NCc1ccc(Cl)cc1)N1CC(Cn2ccnn2)C1 1775995026 NRRSSMHDJRYTPA-UHFFFAOYSA-N 305.769 1.773 0 40 DDAB CCc1c(C)ncnc1N1CCN(c2ncnc3n[nH]cc23)CC1 1776009499 GLDOXYNBNCRQIJ-UHFFFAOYSA-N 324.392 1.340 0 40 DDAB CN(CC(=O)NCCCn1ccnc1)C(=O)c1cccs1 46116077 GJRINCBIOHDTFX-UHFFFAOYSA-N 306.391 1.223 0 40 DDAB C[C@@H](NC(=O)N(C)CCCOc1ccccc1)c1nncn1C 46963163 JGLHJRKTXNMPNT-CYBMUJFWSA-N 317.393 1.987 0 40 DDAB COc1ccc(C(=O)N2CCCN([C@H]3CCOC3)CC2)cc1F 1565522726 YIANHLCVEGYIAX-AWEZNQCLSA-N 322.380 1.771 0 40 DDAB Cc1ccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(=O)[nH]1 75123886 SCEOOVWUZBWKSL-CYBMUJFWSA-N 308.284 1.425 0 40 DDAB CCc1nc(C)ncc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76054706 QKMZLACTHMDIKM-WBMJQRKESA-N 318.421 1.140 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2cnn(C)c2)no1 76044319 OLHDTYWPLSNCAX-LBPRGKRZSA-N 303.366 1.833 0 40 DDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCC(F)(F)F)[nH]n1 97358804 LOZHNDZTOTVBDG-UHFFFAOYSA-N 301.272 1.719 0 40 DDAB CCOc1ccccc1C(=O)N1CCC2(CC1)CC(=O)N(C)O2 1549162136 OJCHZAOEUXOQFY-UHFFFAOYSA-N 318.373 1.854 0 40 DDAB CC(=O)O[C@@H]1C=CC[C@H]2C(=O)c3c(O)cccc3[C@](C)(O)[C@H]12 5028856 LVMQQXVLRIZFOF-GBJRJORNSA-N 302.326 1.920 0 40 DDAB C[C@@]1(C(=O)NCCC(=O)O)CS[C@@H]2c3ccccc3C(=O)N21 13691660 LHWYLFQJRUVDCM-HIFRSBDPSA-N 320.370 1.237 0 40 DDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1nccs1 14160266 BXSBJVZGTCCQBC-UHFFFAOYSA-N 316.342 1.175 0 40 DDAB O=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1cc(Cl)ccc1Cl 643585115 JVFDTGOQWLDGNW-HFKOZYHYSA-N 320.172 1.091 0 40 DDAB CSCC[C@@H](NC(C)=O)C(=O)NC1CCC(F)(F)CC1 575616393 JHUFEWGXFRNIGP-LLVKDONJSA-N 308.394 1.938 0 40 DDAB O=C(O)CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 35686960 LPMFZBROHLEZMO-UHFFFAOYSA-N 314.744 1.712 0 40 DDAB COCC(=O)N1CCC[C@H](N(C)c2ncnc(C(C)C)c2F)C1 1888843392 XHSOKSZRFQDOGA-LBPRGKRZSA-N 324.400 1.813 0 40 DDAB CN([C@H]1CCCN(c2ncncc2F)C1)S(=O)(=O)C1CC1 1888844369 WUNGIBGXCKBYMK-JTQLQIEISA-N 314.386 1.009 0 40 DDAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCNC(=O)C1 14930422 BYVSRDUXZMJSJE-SECBINFHSA-N 315.295 1.464 0 40 DDAB COCCN[C@H]1CSC2(C1)CN(Cc1cn(C)nc1C)C2 2056223901 GWCRXQMAAJCPAC-CQSZACIVSA-N 310.467 1.024 0 40 DDAB O=C(CC1CCOCC1)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056224694 PZRCUKPRRJGDJE-HOTGVXAUSA-N 308.422 1.125 0 40 DDAB COC1(CC(=O)N2C[C@H]3C(=O)N(CC4CC4)CC[C@H]3C2)CCC1 1565550630 CSLFGYWANRRIKN-LSDHHAIUSA-N 320.433 1.663 0 40 DDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 4698170 CPXMIERIFISBPP-XJIUQZFPSA-N 323.389 1.147 0 40 DDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(Cl)c1 8973357 ZFMBYVBJIVVPNL-LLVKDONJSA-N 322.748 1.862 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N(C)C)cc1 11897895 MWUVLFTWBKCGNK-INIZCTEOSA-N 321.446 1.915 0 40 DDAB CSCC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 1775967033 BWTAUTNNKUKHRN-SNVBAGLBSA-N 309.840 1.732 0 40 DDAB CN(C1CCN(c2ncc(F)cn2)CC1)S(=O)(=O)C1CC1 2086889113 AZKSFDUTKCGUAF-UHFFFAOYSA-N 314.386 1.009 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CC(c2nc(-c3ccccn3)no2)C1 49481435 SKTUOMLKAFZHAX-UHFFFAOYSA-N 323.312 1.060 0 40 DDAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)C1CCC1 19346720 HFVBFVVSXCEBSF-CYBMUJFWSA-N 313.405 1.425 0 40 DDAB Cc1ccc(NCCNC(=O)Cn2cnc3ccccc32)nn1 49422528 GIAOBOJNVWELDB-UHFFFAOYSA-N 310.361 1.363 0 40 DDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(CO)CC1 75170460 CLHVRQKFBYZFET-UHFFFAOYSA-N 303.337 1.729 0 40 DDAB CC(C)[C@H](CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1 40522300 WLRJRSLJOVCLKR-HNNXBMFYSA-N 306.410 1.374 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2F)C1 20549669 CCCRLIWXAQNYGR-UHFFFAOYSA-N 304.325 1.258 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1Cl 32415165 CWHNIPSQVDPCSW-GFCCVEGCSA-N 316.810 1.677 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(C)[C@@]1(C)Oc1ccccc12 369180 RCNSZQWRVQZEKU-ZOWXZIJZSA-N 306.387 1.836 0 40 DDAB O=C1CCc2cc(C(=O)NCCNc3cnccn3)ccc2N1 32818960 DDUGKRWJVQFFLY-UHFFFAOYSA-N 311.345 1.203 0 40 DDAB COC(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2ccco2)c1 32907879 NJARBDVEZVQCPL-JTQLQIEISA-N 304.302 1.105 0 40 DDAB COC(=O)c1sccc1NC(=O)CCCN1C(=O)CCC1=O 32932234 OVVIBQMAXPEODL-UHFFFAOYSA-N 324.358 1.402 0 40 DDAB CC(C)CNC(=O)[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 52731246 NAMVGDKNCJWSKW-HOTGVXAUSA-N 317.433 1.697 0 40 DDAB Cc1oc(C)c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1C 42071281 YVUNKDCUZXXEIK-GFCCVEGCSA-N 314.407 1.359 0 40 DDAB COc1nn(C)cc1C(=O)N1CCN(Cc2ccccc2)CC1 22765312 VKZGRVLPUSKBIS-UHFFFAOYSA-N 314.389 1.387 0 40 DDAB COc1ccc2oc(C)c(C(=O)N3CC[C@@H](C(N)=O)C3)c2c1 53895196 BJVGBFZJNSCXTO-SNVBAGLBSA-N 302.330 1.697 0 40 DDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3nccnc3N)cn2)n1 53995598 IQBLOSSGOOPMPF-UHFFFAOYSA-N 323.360 1.186 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC[C@H]1CCCO1 23876021 TWBWVEZSTNLYOA-LLVKDONJSA-N 301.346 1.151 0 40 DDAB Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1 47620800 TUOMBZKYHLIQGN-CYBMUJFWSA-N 318.398 1.869 0 40 DDAB NC(=O)[C@@H]1CC(=O)N(Nc2ncc(C(F)(F)F)cc2Cl)C1 3134687 SYYLQTAXFROVCV-RXMQYKEDSA-N 322.674 1.415 0 40 DDAB O=C(c1cnsn1)N1CCCN(Cc2cccs2)CC1 47832722 WVMDFVONJOAACH-UHFFFAOYSA-N 308.432 1.948 0 40 DDAB CCCc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)cc1 79102256 DFMYQVYBIOCYIR-UHFFFAOYSA-N 317.374 1.878 0 40 DDAB CCOC(=O)C(C(=O)OCC)C(=O)c1ccc2c(c1)OCO2 1601025 SHDVCOOSXFPXFD-UHFFFAOYSA-N 308.286 1.340 0 40 DDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCCN3)c2)n1 79214127 KZWHVDWFKGSCLN-CQSZACIVSA-N 312.373 1.690 0 40 DDAB O=C(Nc1nncs1)N1CCN(CCc2ccccc2)CC1 43129566 VEJFDIYNERTNSR-UHFFFAOYSA-N 317.418 1.930 0 40 DDAB O=C(NCC[S@](=O)c1ccccc1F)[C@H](O)c1ccccc1 73766406 XTJVQIWPAXHODB-IVZQSRNASA-N 321.373 1.783 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nccc(C(F)(F)F)n1 24987723 IHKSZPKMEIMUNS-YFKPBYRVSA-N 308.285 1.432 0 40 DDAB CCc1ccsc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269178 AWRBUXIKNCDWBC-KGLIPLIRSA-N 308.447 1.982 0 40 DDAB CCOc1ccccc1OC1CCN(C(=O)c2cn[nH]n2)CC1 55623468 LOICPYACUOMUGS-UHFFFAOYSA-N 316.361 1.887 0 40 DDAB C[C@H]1CN(Cc2ccccc2NCC(=O)N(C)C)C[C@@H](C)O1 55869850 XWLACMVNTDLLAQ-OKILXGFUSA-N 305.422 1.796 0 40 DDAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@H](C(N)=O)C1 57046072 WGTGTWAQNSPKQU-KBPBESRZSA-N 316.401 1.839 0 40 DDAB COC(=O)CN1N=C(C(=O)Nc2cc(C)cc(C)c2)CCC1=O 57478042 PXYYNLJGKUDBMB-UHFFFAOYSA-N 317.345 1.393 0 40 DDAB COCCN1CC2(CCN(C(=O)c3cscn3)CC2)CC1=O 108531788 XLMIPSZDSKGQRG-UHFFFAOYSA-N 323.418 1.244 0 40 DDAB CCCCc1nc(CN2CCO[C@H](c3nc(CC)n[nH]3)C2)no1 84746887 UFVKGBNKMRDZRW-NSHDSACASA-N 320.397 1.666 0 40 DDAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCSCC1 61960458 LQFLEJPKLWAUIH-UHFFFAOYSA-N 303.387 1.745 0 40 DDAB O=C(O)[C@H]1CC(=O)N(Cc2cccc(N3CCCC3=O)c2)C1 44979115 LYUOJEZIPLTRGM-LBPRGKRZSA-N 302.330 1.247 0 40 DDAB Cc1csc(CNC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)n1 44952951 BIYKFRSHYNSTAK-VXGBXAGGSA-N 312.439 1.360 0 40 DDAB O=C(CCOc1ccc(F)cc1)NC[C@@H]1CCS(=O)(=O)C1 45361955 HDVZPQQVEHDXDW-NSHDSACASA-N 315.366 1.146 0 40 DDAB COc1ccc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1F 102805136 ISAGGXBSSYZUHM-VXGBXAGGSA-N 317.316 1.968 0 40 DDAB COc1cccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 29111838 WNCMVBSUTMMZBI-UHFFFAOYSA-N 314.341 1.886 0 40 DDAB CCNC(=S)NC[C@@H](C)N1CCN(c2ccccc2)CC1 36847477 KYBNWEFFFNNJAK-CQSZACIVSA-N 306.479 1.681 0 40 DDAB C[C@@](O)(CNS(=O)(=O)C1CCOCC1)c1cccs1 95468368 SIIBSQOUSQSCIJ-GFCCVEGCSA-N 305.421 1.054 0 40 DDAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 28914346 JEAFYLHWXATHGK-GFCCVEGCSA-N 323.345 1.944 0 40 DDAB C[C@@H](NC(=O)COn1nnc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 108884631 OCNKOKCBEKYTDS-ZOBORPQBSA-N 314.389 1.801 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2[C@@H]1CCN2c1nncs1 108524226 DVKCCTKHCIEDCN-QWHCGFSZSA-N 305.407 1.996 0 40 DDAB Cc1ccc(C(=O)NCCNCc2c(C)n[nH]c2C)cc1F 97159532 HWCIDWIEYGXUNU-UHFFFAOYSA-N 304.369 1.994 0 40 DDAB CC(=O)NCCC(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 12762863 CNTFAJMEGITGLU-LBPRGKRZSA-N 318.373 1.029 0 40 DDAB CCc1sc([C@@H](C)NC(=O)Cn2cc(CO)nn2)cc1C 95435593 WOJIFDTXHBUMMU-SNVBAGLBSA-N 308.407 1.580 0 40 DDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1cccnc1Cl 3313071 VSKXESHQUZKVRT-UHFFFAOYSA-N 301.689 1.871 0 40 DDAB C[C@@]1(NC(=O)c2ccc3ncsc3c2)CCS(=O)(=O)C1 12999539 CXUJOTIJQCMHKN-CYBMUJFWSA-N 310.400 1.603 0 40 DDAB CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccccc1 13002447 FXHQUVYRNGXJDA-INIZCTEOSA-N 324.446 1.202 0 40 DDAB Cc1cccc(S(=O)(=O)NCCC(=O)NC2CCCC2)c1 13073981 UZDFTKFBDZHUPK-UHFFFAOYSA-N 310.419 1.722 0 40 DDAB COc1ccccc1OCCn1ncc2cnn(C)c(=O)c21 96007485 WPIMXJODUJHMBV-UHFFFAOYSA-N 300.318 1.218 0 40 DDAB O=C(O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1 13313966 VGZACKZNXXITSD-UHFFFAOYSA-N 305.355 1.906 0 40 DDAB CN(Cc1ncnn1C)[C@@H]1CCN(c2c(F)cccc2F)C1=O 84303976 WSRVMDRLVPVRMK-GFCCVEGCSA-N 321.331 1.331 0 40 DDAB O=C(Cc1ccc(O)cc1)NC[C@H]1CCN(CC(F)(F)F)C1 84397837 WHQPRGBKERHNHL-GFCCVEGCSA-N 316.323 1.935 0 40 DDAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN(C)C 5119853 PFQYZYDCXTYWDO-UHFFFAOYSA-N 319.361 1.853 0 40 DDAB Cc1csc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 5101478 YLQYFUAQVZKVPY-SECBINFHSA-N 320.461 1.189 0 40 DDAB C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 71413133 AIHDCMKQBPASOH-KOLCDFICSA-N 322.352 1.982 0 40 DDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 9316578 JHXAEWTWPIXCFT-MRXNPFEDSA-N 313.313 1.685 0 40 DDAB O=CN1CCN(C(=O)CCC(=O)NCCC2=CCCCC2)CC1 4704264 FPCLMKCYUQWJLV-UHFFFAOYSA-N 321.421 1.074 0 40 DDAB CN1N=C(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CCC1=O 97527649 HEZKQBASMUVRPU-AWEZNQCLSA-N 320.368 1.153 0 40 DDAB Cn1cc([C@H]2CCCN2C[C@H](O)COc2ccccc2)cn1 71797252 BLBGYMHPSFCDNV-DOTOQJQBSA-N 301.390 1.997 0 40 DDAB CC(C)CNC(=O)CNC(=O)Cc1cc(-c2ccccc2)on1 96412005 CSQGULWYRBJHAQ-UHFFFAOYSA-N 315.373 1.773 0 40 DDAB C[S@@](=O)c1nncn1Cc1ccn(-c2ccc(F)cc2)n1 96424915 QIUUTMIDXGLQCL-NRFANRHFSA-N 305.338 1.389 0 40 DDAB COc1ccccc1-c1ccc(NC[C@H]2COCCO2)nn1 67788164 MDZUPFUTXRKBGB-LBPRGKRZSA-N 301.346 1.980 0 40 DDAB CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 7437257 LEEGTNDILYBJPN-AWEZNQCLSA-N 322.380 1.717 0 40 DDAB Cc1c(C(=O)N2CCOC(C)(C)C2)cnn1-c1ccccn1 71843948 QFVWRCAHMJMRCK-UHFFFAOYSA-N 300.362 1.827 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC1CCC(O)CC1 83884508 MMLAJWACPRSDCT-PQAZSJQKSA-N 312.410 1.711 0 40 DDAB Cn1c(COc2ccc3c(c2)CCCC3=O)cc(=O)n(C)c1=O 69378749 NMCGSVJROHMGSS-UHFFFAOYSA-N 314.341 1.182 0 40 DDAB O=C1[C@H](n2cnc3ncccc3c2=O)CCN1CC(F)(F)F 95398434 MNXOTLBPEDGILJ-SECBINFHSA-N 312.251 1.127 0 40 DDAB Cc1ccc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 8315380 RZBBLTNXYXIULU-UHFFFAOYSA-N 317.389 1.722 0 40 DDAB Cc1ncc2c(n1)CN(Cc1nc(-c3ccccn3)no1)CC2 69436276 RYVWEECMKBTGRF-UHFFFAOYSA-N 308.345 1.788 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)cn1 69873481 VZAPZMRFZCPNND-ZFWWWQNUSA-N 316.405 1.342 0 40 DDAB CC(=O)N(C)CC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 84656065 XVOCMQIXSHHPRW-ZDUSSCGKSA-N 303.406 1.942 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)CC1(N2CCOCC2)CCCC1 72960827 QAGNFMPYXLRZBP-OAHLLOKOSA-N 320.437 1.423 0 40 DDAB CNC(=O)CC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 74515530 WAKHKPWXMCVJLZ-KRWDZBQOSA-N 317.433 1.664 0 40 DDAB COC(=O)[C@H](C)[C@@H](NC(=O)c1cn[nH]c1C)c1ccccc1 86231849 ONPYZKKIPMZXTI-QMTHXVAHSA-N 301.346 1.998 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(CCc3cccs3)CCO2)n1 75132191 KUDLNRQZSXZMNL-AWEZNQCLSA-N 306.435 1.900 0 40 DDAB Cc1ccc(C)c(NC(=O)CN2CCN([C@H]3CCOC3)CC2)c1 89618638 HTWXRAXVNYXEKS-INIZCTEOSA-N 317.433 1.648 0 40 DDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F 89941278 CIIOGAAYJPWCKF-GHMZBOCLSA-N 316.373 1.822 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 76045420 YXKXIRHKJRERFN-ZDUSSCGKSA-N 319.365 1.251 0 40 DDAB Cc1cccc([C@@H](NS(=O)(=O)c2cnc[nH]2)C(=O)O)c1C 548290661 VMNKARZTNQQPOK-GFCCVEGCSA-N 309.347 1.131 0 40 DDAB Cc1cc(=O)c(C(=O)NCc2ccc(-n3cncn3)cc2)cn1C 516197172 ZAGILGKOHDBWFX-UHFFFAOYSA-N 323.356 1.204 0 40 DDAB C[C@H](N)C(=O)N(C[C@H]1CCCN1Cc1ccccc1)C1CC1 79404555 QCEPSFNEGREPPM-WMLDXEAASA-N 301.434 1.989 0 40 DDAB CN(C)CCn1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)n1 565172627 NZAUGORNLKYSCS-MRXNPFEDSA-N 315.421 1.761 0 40 DDAB O=C(NCCN1CCOCC1)N1CCC[C@@]2(CC=CCC2)C1 79349240 RBVRDRRLGZONMJ-KRWDZBQOSA-N 307.438 1.851 0 40 DDAB O=C(O)CN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 210388306 MWSTXMDDRYZFPM-WEVVVXLNSA-N 307.283 1.506 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1 188287298 LFKDODRQEMULPM-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)NC(N)=O)cc2)cs1 44874503 ZEGPIVMMPVGQHU-SECBINFHSA-N 318.402 1.792 0 40 DDAB CC(=O)NC1CN(C(=O)NC[C@H](C)c2ccc(F)cc2F)C1 190229218 WKGXQNDMYIHCPZ-VIFPVBQESA-N 311.332 1.598 0 40 DDAB CC(C)CSCCCNC(=O)N[C@@H]1C(=O)NCC[C@@H]1C 193920189 AEYPYFQEZJDNMO-RYUDHWBXSA-N 301.456 1.590 0 40 DDAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223562219 RKNVWRHBDGIYHF-KBPBESRZSA-N 303.387 1.948 0 40 DDAB COCC[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 81026302 LNPNWUFRYPJUIJ-LBPRGKRZSA-N 303.362 1.629 0 40 DDAB CCN(CC)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223671554 UBNMERAVTSVBJJ-UHFFFAOYSA-N 316.398 1.456 0 40 DDAB COc1ccccc1N1CCN(c2ncnc3nc(C)[nH]c23)CC1 46087803 HUMRLOQWEWGVPT-UHFFFAOYSA-N 324.388 1.997 0 40 DDAB c1ccc(COC[C@]23COC[C@H]2CN(c2ncccn2)C3)nc1 96108993 NHAYFQYDGWBUBF-PBHICJAKSA-N 312.373 1.541 0 40 DDAB CCCN1CC[C@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 96225966 ZUHDDTFVLPGGRD-INIZCTEOSA-N 317.393 1.032 0 40 DDAB CS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1ccncc1)C2 96047430 ICDJBYWOUDDRAL-INIZCTEOSA-N 323.462 1.862 0 40 DDAB Cc1nsc(C(=O)N2CCN(CCc3ccccc3)CC2)n1 96098485 PATYIYVUECLKEB-UHFFFAOYSA-N 316.430 1.847 0 40 DDAB Cc1ncn(C[C@H](O)CN2CCc3ccccc3C2)c(=O)c1C 97238476 QHZCPTQUSAGWDG-QGZVFWFLSA-N 313.401 1.279 0 40 DDAB O=C(c1ccncc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1 96183350 IMANOSHQOFDOEG-DOTOQJQBSA-N 324.384 1.454 0 40 DDAB CC(C)CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 96080815 ZDDPJTGEMYNXOI-GJZGRUSLSA-N 308.447 1.895 0 40 DDAB CC(C)(C)SCC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414035 ILMNPYMSPOJSTP-MRVPVSSYSA-N 312.357 1.798 0 40 DDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)C2CC2)n1 96186538 SYYAMZKWFHKIGA-HZPDHXFCSA-N 313.401 1.892 0 40 DDAB Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cnn(C)c1 96063983 MWNYFQMLYMUEAX-LSDHHAIUSA-N 314.389 1.811 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Nc1cnn(-c2ccccc2F)c1C 97102894 VKSLKORKYGPIJP-VIFPVBQESA-N 319.340 1.576 0 40 DDAB COC(CNC(=O)c1nnn(Cc2cccc(F)c2)c1C)OC 96511670 QTAUCVOYUSNVKG-UHFFFAOYSA-N 322.340 1.123 0 40 DDAB COc1ccc(Cl)cc1CCNC(=O)NCc1ncnn1C 96440163 ABLXFZWYDRMUTP-UHFFFAOYSA-N 323.784 1.519 0 40 DDAB Cn1c(CN[C@@H](CO)c2ccccc2)nc2ccccc2c1=O 96500905 TZSSZBDKDSLKAN-INIZCTEOSA-N 309.369 1.757 0 40 DDAB O=C([C@H]1CCOC1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96038525 HQARJSCWCDLRGY-SOUVJXGZSA-N 301.390 1.008 0 40 DDAB Cc1ccccc1CNC(=O)CN1CCC2(CC1)OC[C@@H](C)O2 96414904 BXIJOJGBWDFWNI-OAHLLOKOSA-N 318.417 1.839 0 40 DDAB COC(=O)NCc1nc(-c2ccc(Br)o2)no1 96448223 SOWKXOVPHLOMOI-UHFFFAOYSA-N 302.084 1.948 0 40 DDAB CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 96422090 PMXJMAWHZYSQST-SECBINFHSA-N 318.295 1.566 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 245225169 OUVULGODGMMJHB-SUNKGSAMSA-N 318.373 1.963 0 40 DDAB Cn1nccc1CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257311717 UKSVMRSYPQHHCT-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB CNC(=O)[C@]1(C)CN(c2ccc(C(F)(F)F)cn2)CCO1 257331041 XRDYRYKJDITVON-LBPRGKRZSA-N 303.284 1.442 0 40 DDAB CN(C)S(=O)(=O)N1CCC(C)(c2ncc(Cl)s2)CC1 257269128 MORRRMCBGHAZIB-UHFFFAOYSA-N 323.871 1.956 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)on1 257252470 JUXKMALEPWTWMK-NSHDSACASA-N 301.350 1.450 0 40 DDAB Cn1nccc1-c1cc([C@@H]2CCCN2S(C)(=O)=O)ccn1 257250488 JMRXAZHOVWPHLL-ZDUSSCGKSA-N 306.391 1.579 0 40 DDAB O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257270071 MSRBXQCYZUQJJE-OWCLPIDISA-N 323.400 1.763 0 40 DDAB COc1ccc2[nH]cc(C(=O)N3CC[C@](O)(CN(C)C)C3)c2c1 257305052 SOFNXHBLNQEVFL-KRWDZBQOSA-N 317.389 1.315 0 40 DDAB Cn1cc(N2CCC[C@@H](Nc3cccc(C(=O)O)n3)C2)cn1 263437773 VZOWNTPQWNOKER-LLVKDONJSA-N 301.350 1.594 0 40 DDAB CN1CC[C@]2(CN(C(=O)CC3(O)CCC3)CC(F)(F)C2)C1=O 585093362 QWYYXJTUKGBIHT-ZDUSSCGKSA-N 316.348 1.008 0 40 DDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)on2)C1 585276796 JEYZODCTANLVHB-INIZCTEOSA-N 321.377 1.045 0 40 DDAB O=C(C1CC(F)C1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099230 WPZAAMCFJAZXFR-SSDMNJCBSA-N 307.369 1.769 0 40 DDAB COc1c(C)cccc1CN(C)[C@@H]1COC[C@@H](OC)[C@H]1OC 585292273 ZRTBSUZEJSWGCB-INMHGKMJSA-N 309.406 1.864 0 40 DDAB Cc1cc(N2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)ncn1 585182020 DTGREDUUOIFCOK-LLVKDONJSA-N 321.406 1.643 0 40 DDAB CCNC(=O)N1CCN(C(=O)c2csc(C(C)C)n2)CC1 68251324 SUQGIFXMZHRVJT-UHFFFAOYSA-N 310.423 1.754 0 40 DDAB CNC(=O)CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 69949790 XVGRECRONRIXJY-NSHDSACASA-N 320.311 1.123 0 40 DDAB C[C@H](NC(=O)N1CC[C@@H](C(N)=O)C1)C(C)(C)c1ccccc1 69631724 QTQYMTPLEOKWMT-QWHCGFSZSA-N 303.406 1.870 0 40 DDAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1C 32771586 BRNDYKNOGKFUCY-SNVBAGLBSA-N 304.350 1.306 0 40 DDAB CCc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C)nn2C)no1 72279321 VVLTWNDCGAFVCJ-NSHDSACASA-N 318.381 1.450 0 40 DDAB Cc1cc(C)cc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)c1 44866828 KTAXRURJCWYLHJ-HNNXBMFYSA-N 306.406 1.240 0 40 DDAB COc1ccc(CCC(=O)NCCCN2CCN(C)CC2)cc1 61524316 QCTXHRWDQLDRCQ-UHFFFAOYSA-N 319.449 1.382 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@H]21 56195257 VLXUNSMJYZDZTK-KGLIPLIRSA-N 313.361 1.120 0 40 DDAB CCc1cnc(CCNC(=O)N2CCC[C@@H](C(=O)NC)C2)s1 74842014 ZYBZAINEBSGNOU-LLVKDONJSA-N 324.450 1.416 0 40 DDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 57352393 LWWDZXLDRJFUPS-GFCCVEGCSA-N 323.368 1.927 0 40 DDAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)CCC2=O)cc1 60384641 WXEFSTQSGFFMGY-LLVKDONJSA-N 317.341 1.512 0 40 DDAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(CCO)CC1 75572186 YATLPMWQBKYVOW-UHFFFAOYSA-N 322.792 1.252 0 40 DDAB Cn1nc(-c2cccc(Br)c2)cc(C(=O)O)c1=O 84221790 FUHMYTJXYYRJKW-UHFFFAOYSA-N 309.119 1.908 0 40 DDAB CC[C@@H](NS(=O)(=O)N1CCOCC1)c1ccccc1OC 42167472 NRAWVARHOCMJGN-CYBMUJFWSA-N 314.407 1.313 0 40 DDAB Cc1cc(=NC(=O)N2CCC[C@H](O)CC2)[nH]n1-c1ccccc1 519685613 GOXOFXJRARVAIN-HNNXBMFYSA-N 314.389 1.981 0 40 DDAB O=C(CO)NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 97098108 WFEAFDQXCJXHDA-INIZCTEOSA-N 310.353 1.955 0 40 DDAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CC[C@H](CF)C1 881664766 QCGIFQAVRGCRCI-CQSZACIVSA-N 315.348 1.723 0 40 DDAB COCCNS(=O)(=O)c1ccc(Br)s1 13939041 PYCGQWFPDBYUIL-UHFFFAOYSA-N 300.199 1.435 0 40 DDAB C[C@@H](OC(=O)C1=COCCO1)c1nc2ccccc2c(=O)[nH]1 5642384 SRAXMKHPHBAROR-SECBINFHSA-N 302.286 1.416 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2nc(-c3ccoc3)oc2=O)C1 12154244 VDTKRRIPDDGPEH-QWRGUYRKSA-N 305.334 1.601 0 40 DDAB CC(C)OCCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688846 LLZYIASZMFJXAH-OKILXGFUSA-N 322.405 1.259 0 40 DDAB c1ccc(CCN2CCC[C@@H](c3nnc4n3CCNC4)C2)cc1 19710962 MIIGFNIQQMMXNJ-MRXNPFEDSA-N 311.433 1.803 0 40 DDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC1 19930649 ZSNYEPAXHSKXQJ-UHFFFAOYSA-N 322.430 1.682 0 40 DDAB CN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 242495347 GCIKTBMECLKGJG-SHTZXODSSA-N 319.405 1.641 0 40 DDAB CC(C)c1nc(S(=O)(=O)N2C[C@H]3C[C@H]2CS3)cn1C 585148885 GSAFBIIPGZMECQ-VHSXEESVSA-N 301.437 1.422 0 40 DDAB Cc1noc(C)c1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 21058467 UETRBKPDBMQECY-VXGBXAGGSA-N 323.437 1.838 0 40 DDAB CC(=O)Nc1cnn([C@H]2CCN(C(=O)c3ccncc3F)C2)c1 1888859260 GATRXROULOTVJR-LBPRGKRZSA-N 317.324 1.463 0 40 DDAB CSc1nc(C)cc(N(C)C2CN(c3cnccn3)C2)n1 1889091567 HBWLOASPCOKOBV-UHFFFAOYSA-N 302.407 1.622 0 40 DDAB COc1ccc(CCNC(=O)c2cncc(C)n2)cc1OC 1889130382 DMLWMQDOORCYON-UHFFFAOYSA-N 301.346 1.775 0 40 DDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100072405 KONWAFWYYOOUOD-ZQDZILKHSA-N 313.309 1.341 0 40 DDAB CS(=O)(=O)c1ccc(N2CCC[C@@H](NC(=O)C3CC3)C2)cc1 2086946243 APVIPJOZHWKBEF-CYBMUJFWSA-N 322.430 1.585 0 40 DDAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCO 53833 WYUIKYKDJMBUIH-OPQOLIRYSA-N 319.360 1.871 0 40 DDAB C[C@@H]1SCC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 2711130 KQHXSIYWCLBPPE-ZETCQYMHSA-N 314.313 1.394 0 40 DDAB Cc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)o1 40497307 PMASGJSQCNIAAH-UHFFFAOYSA-N 300.380 1.050 0 40 DDAB CCC[C@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 51373597 KJNDSUIEGOSOSX-YOEHRIQHSA-N 320.389 1.675 0 40 DDAB Cc1ccc(C)n1-c1nc(CC(=O)O[C@@H](C)C(N)=O)cs1 51345542 TVPCYFYUCIPLSM-JTQLQIEISA-N 307.375 1.510 0 40 DDAB Cc1ccc(C(=O)OCCN2C(=O)NC(C)(C)C2=O)c(O)c1C 52115969 RWUZVOGOQYPINK-UHFFFAOYSA-N 320.345 1.496 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COc1ccccc1F 32751133 XRUKDYIKQCIVKZ-LBPRGKRZSA-N 321.348 1.885 0 40 DDAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 41247687 MXTRRBRRAFDCOP-NSHDSACASA-N 304.346 1.546 0 40 DDAB O=C(Cc1nc2ncccn2n1)N[C@@H]1CCCc2ccccc21 32926029 OENKRMUNYFKMQH-CQSZACIVSA-N 307.357 1.861 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 102985629 NLBPMILMRQHRGY-KBUPBQIOSA-N 322.364 1.837 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCO[C@H]2CCC[C@@H]21 53381172 WIHVNNLCCUFOFN-GJZGRUSLSA-N 312.373 1.969 0 40 DDAB CC(=O)N1CCC(NC(=O)CN(C)c2cc(C)cc(C)c2)CC1 54291336 FBDRHTANQOHDBU-UHFFFAOYSA-N 317.433 1.867 0 40 DDAB NC(=O)[C@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1 42817103 AFEZAKOAUBQGCL-CYBMUJFWSA-N 308.345 1.270 0 40 DDAB C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C 78965809 PPYKNSVDXRGGQP-NSHDSACASA-N 307.398 1.213 0 40 DDAB O=C(CN1CCN(c2ccccc2)CC1)n1nnc2ccccc21 1611910 UQEYTCSPDXUYHW-UHFFFAOYSA-N 321.384 1.894 0 40 DDAB O=C(NCCNC(=O)c1c(F)cccc1F)NCC1CCC1 79036099 QQAAHIBPXIKWBU-UHFFFAOYSA-N 311.332 1.794 0 40 DDAB Cc1noc(C)c1CN1CCN(Cc2nccn2C)[C@@H](C)C1 106660154 AUPOCFMIPKHEOZ-LBPRGKRZSA-N 303.410 1.731 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@H]2CN(C)CCO2)C1 106921629 NDNSQNFBZZBHCM-QLFBSQMISA-N 311.470 1.190 0 40 DDAB CCCn1c(=O)c2c(nc3n(CCC)c(C)c(C)n23)n(C)c1=O 4912446 CSZHBWXACPZUIT-UHFFFAOYSA-N 317.393 1.586 0 40 DDAB CCOC(=O)c1nnsc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 1416850 LRIIBUWLUSUBQY-HTQZYQBOSA-N 314.367 1.356 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 7308406 XXGHEXQRYGAXFL-GFCCVEGCSA-N 317.432 1.077 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2)C[C@@H]1C 107502350 BUULTNFHXRJEJH-IHRRRGAJSA-N 324.396 1.507 0 40 DDAB C[C@H](CO)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 84640285 RYEVUZABZDBUJW-GHMZBOCLSA-N 304.350 1.401 0 40 DDAB Cn1c(S)nnc1CNC(=O)c1ccccc1OCC1CC1 108894425 CNQDQKJXLMYJLJ-UHFFFAOYSA-N 318.402 1.823 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)c2ccc3nnnn3c2)C12CCCC2 95411778 UTZICJUKCLASDK-STQMWFEESA-N 315.377 1.592 0 40 DDAB O=C(Cn1c(-c2cccs2)noc1=O)NCc1ccccc1 58202476 VBXUJYSMSXCTNB-UHFFFAOYSA-N 315.354 1.881 0 40 DDAB CN(C)c1cc(CNC(=O)[C@@H]2COc3ccccc3O2)ccn1 44915888 HBOAEFLUESQPLK-HNNXBMFYSA-N 313.357 1.604 0 40 DDAB O=C(O)c1cc(-c2c(F)cccc2F)nc2nc(O)[nH]c(=O)c12 44978485 MDVFAGVBWVBJIX-UHFFFAOYSA-N 319.223 1.667 0 40 DDAB COc1ccc([C@@H](C)NC(=O)C2=NN(C)C(=O)CC2)c(OC)c1 44909009 WVNWFSGVISNYIK-SNVBAGLBSA-N 319.361 1.489 0 40 DDAB Cc1c([C@@H](C)NC(=O)NCc2ccnc(N(C)C)c2)cnn1C 44954659 BMFUSJMXJZDJLO-LLVKDONJSA-N 316.409 1.750 0 40 DDAB COc1ccccc1CNC(=O)C(=O)NCc1ccc(F)cc1 9912081 WLBWUHFXXSSDPP-UHFFFAOYSA-N 316.332 1.767 0 40 DDAB Cc1nn(CC(=O)N[C@H](C)[C@@H]2CCCO2)c(=O)c2ccccc12 27891496 NWNDRAZEUNHJQL-DOMZBBRYSA-N 315.373 1.389 0 40 DDAB CN(C)C(C)(C)C(=O)N1CCN(c2ccncc2Cl)CC1 95438382 OHDJOYYLQUMFSO-UHFFFAOYSA-N 310.829 1.724 0 40 DDAB O=C(CN1CCN(C(=O)CCC2CCCC2)CC1)NC1CC1 58368237 MVKLLYGFTZTZNU-UHFFFAOYSA-N 307.438 1.380 0 40 DDAB CN(Cc1ccc(F)cc1F)C(=O)CN1CSCC1=O 58619094 DWGMVJLJRMMRMW-UHFFFAOYSA-N 300.330 1.456 0 40 DDAB COc1cccc(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)c1 22157619 QGAIYBLQWFVUBO-UHFFFAOYSA-N 310.331 1.533 0 40 DDAB C[C@@]12C[C@@H]3[C@H]4[C@@H](n5c(=O)n(-c6ccccc6)c(=O)n53)[C@@]1(C)[C@@]42C 104290729 CTIJZJVAEPNQFT-NAFABJSRSA-N 309.369 1.963 0 40 DDAB O=S(=O)(Cc1ccccc1)N(CCCO)Cc1ccncc1 95459870 WORATSLIZVZDQO-UHFFFAOYSA-N 320.414 1.796 0 40 DDAB CSc1ccc(NC[C@@H](C(C)C)N2CCN(C)CC2)nn1 95403056 YZZLBRICNVJTLG-ZDUSSCGKSA-N 309.483 1.882 0 40 DDAB C[C@H](NC(=O)c1cc(C2CC2)nc2ncnn12)c1ccn(C)n1 36619537 XKDCYVSCSLSANW-VIFPVBQESA-N 311.349 1.226 0 40 DDAB Cc1cc2ccccc2n1CC(=O)N[C@H]1CCS(=O)(=O)C1 36724215 GUKJRKLMPDFIGN-ZDUSSCGKSA-N 306.387 1.253 0 40 DDAB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1 170613519 HHYGYMQXGYDRPP-DRPJVOAASA-N 309.373 1.591 0 40 DDAB C[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 36729000 KNDNURHCNWJQDF-HIFRSBDPSA-N 324.446 1.878 0 40 DDAB Cc1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1 29135716 HFBJMTZRWXJQMK-OAHLLOKOSA-N 314.301 1.108 0 40 DDAB COc1ccc(CN2CCC(N3CCN(C)CC3)CC2)cc1 20220135 VFHXQQAZRFYJPZ-UHFFFAOYSA-N 303.450 1.907 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 60363667 KUFWWIAYOMIZTQ-CYBMUJFWSA-N 311.403 1.769 0 40 DDAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)NCc1ccncc1)C(=O)C2 101029971 DFGKUIDBMLTEDT-CJNGLKHVSA-N 322.430 1.896 0 40 DDAB CC(C)C[C@@](C)(CN)NS(=O)(=O)c1cn(C)c(Cl)n1 95432103 OOJDVEWSARYIJZ-NSHDSACASA-N 308.835 1.115 0 40 DDAB Cc1cccc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 49373172 LSZLEIIDGZJQLP-GFCCVEGCSA-N 313.444 1.733 0 40 DDAB C[C@H]1CCNC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 71413136 AIHDCMKQBPASOH-GXSJLCMTSA-N 322.352 1.982 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCc2ccccn2)C1 65449298 IHJWCSANZQTUJJ-CYBMUJFWSA-N 314.393 1.342 0 40 DDAB CN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1ccoc1 65512542 PFFGLVYEIYMQPD-UHFFFAOYSA-N 314.389 1.455 0 40 DDAB O=S1(=O)CC[C@H](NCc2cccc(Br)c2)C1 19772578 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68109906 ANVOEXCKSMTOKU-LBPRGKRZSA-N 318.373 1.581 0 40 DDAB CN(C)[C@H](CNC(=O)c1cccc(C(N)=O)c1)c1ccccc1 23081534 VXXIEVNLEWOEME-MRXNPFEDSA-N 311.385 1.818 0 40 DDAB O=C(CN1CCCCCC1)N1CCN(c2ccc(O)cc2)CC1 8193095 NDVSNJYOPYUUSF-UHFFFAOYSA-N 317.433 1.917 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cnn3cccnc23)c1 70010542 WHOZPCXQOYQYBT-ZDUSSCGKSA-N 310.361 1.539 0 40 DDAB CCOCCNC(=O)[C@H](c1ccccc1)N1CCSCC1 69369421 MJWOXPNJLWNEIH-HNNXBMFYSA-N 308.447 1.929 0 40 DDAB CC(C)(C)c1nnc(CN2CCO[C@@H](Cn3cccn3)C2)o1 69445192 UNZVWJNZEYUYRR-GFCCVEGCSA-N 305.382 1.465 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H]2Cn2cncn2)on1 69510105 FPHXPXSFPVCSNL-VXGBXAGGSA-N 304.354 1.066 0 40 DDAB CN1C[C@H](C(=O)NCc2ccccc2N2CCCC2)CC1=O 69568948 XDCZIKHPFFZKNF-CQSZACIVSA-N 301.390 1.381 0 40 DDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)no1 72231837 ZZLLSYWNUXAQHF-STQMWFEESA-N 320.393 1.341 0 40 DDAB C[C@H](Cn1cccn1)NC[C@@H](O)c1ccc2c(c1)OCCO2 72273097 BITYSZRWZHESTJ-TZMCWYRMSA-N 303.362 1.366 0 40 DDAB Cc1cc(C)cc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 8844437 ODSYUQTWOSEPHB-GFCCVEGCSA-N 303.405 1.232 0 40 DDAB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1OC 19319228 SYAMTYKSMSMLCB-UHFFFAOYSA-N 318.417 1.721 0 40 DDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc(N(C)C)nc1)CC2 97198333 UDBSUDWBTFSNNU-GFCCVEGCSA-N 314.393 1.046 0 40 DDAB CCc1cnc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 72300776 IDVPCUJGBZBGSF-ZUZCIYMTSA-N 306.366 1.047 0 40 DDAB Cc1noc(C)c1Cc1nnc2sc(-c3ccn[nH]3)nn12 72406292 ZYQDKUFDESSKRI-UHFFFAOYSA-N 301.335 1.772 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)n1 75602759 FHWKOEFDXWQGQN-CQSZACIVSA-N 302.382 1.345 0 40 DDAB CC(C)c1cc(=O)n(CC(=O)NCc2ccc(F)cc2)cn1 38510042 BLCCGXLBLPYPOT-UHFFFAOYSA-N 303.337 1.822 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)N1 69920335 JNJCGGYTLIFBQZ-QWHCGFSZSA-N 308.765 1.519 0 40 DDAB COc1c[nH]c(C(=O)Nc2ccc(OCCO)cc2)cc1=O 524735266 MUBJHFSYGFMIIQ-UHFFFAOYSA-N 304.302 1.007 0 40 DDAB C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc(CO)ccc1F 528465376 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O=C(NCCn1ncc2ccccc2c1=O)c1ccc(F)cc1 40818810 RREZMTDGPQBFHB-UHFFFAOYSA-N 311.316 1.966 0 40 DDAB NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CC12CC3CC(CC(C3)C1)C2 41058314 XCXIPDKISYMILT-OXMMTESCSA-N 306.406 1.040 0 40 DDAB COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H](C)c2nnn[nH]2)c1 195568012 WMEMABXRLRCNBR-SWHYSGLUSA-N 315.377 1.574 0 40 DDAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CSCCC(=O)N1 226753188 PVZOWAJMMABAOT-LLVKDONJSA-N 310.423 1.641 0 40 DDAB COCc1nn2c(=O)cc(COC(=O)c3ccco3)nc2s1 41077298 OYYBNBWCLYXFAJ-UHFFFAOYSA-N 321.314 1.247 0 40 DDAB Cc1cc(S(=O)(=O)CCO)ccc1NCc1c(C)noc1C 192480769 UNXYFGSVPMYKHJ-UHFFFAOYSA-N 324.402 1.978 0 40 DDAB COc1nc(NC(=O)c2cnn(CC(C)C)c2C2CC2)n[nH]1 97233761 DMUPJTNYHGJQGB-UHFFFAOYSA-N 304.354 1.796 0 40 DDAB CN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96075477 HHUDEBKVOCWXMN-BBRMVZONSA-N 304.394 1.050 0 40 DDAB COCCC(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)[C@@H]2C1 96080513 RDHSLNLAUJOYIN-DZGCQCFKSA-N 322.380 1.513 0 40 DDAB Cn1cc(CN2Cc3nccn3C[C@H](CN3CCCC3)C2)cn1 96188344 NQOKCPOFUYVNMR-MRXNPFEDSA-N 314.437 1.344 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)CNc1cc(F)c(F)cc1F 97236951 XNHQBKBKEWKPRF-UHFFFAOYSA-N 317.311 1.547 0 40 DDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C[C@@H]2CCOC2)cn1 96200704 JFXFKMIQGLUABB-SZMVWBNQSA-N 319.449 1.869 0 40 DDAB CC(C)(CO)CNC(=O)c1ccnn1-c1ccc2ccccn12 96155227 DURPYZINZFCKSW-UHFFFAOYSA-N 312.373 1.873 0 40 DDAB CCOC(=O)c1cnc(N2CCN(Cc3ccon3)CC2)s1 96441659 JMTRBNAJHFRCHH-UHFFFAOYSA-N 322.390 1.630 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2ccncc2)CC1 96485780 VLBVJTQIUFOBCO-OAHLLOKOSA-N 318.465 1.893 0 40 DDAB CCOC[C@H]1C[C@@]2(COCCN2C(=O)c2ccccc2F)CO1 96240710 ZVWLOKGTMGYPQR-CXAGYDPISA-N 323.364 1.862 0 40 DDAB CN1CCN(c2ncc(CNc3nc4ccccc4o3)cn2)CC1 97231819 MYIUAUMKUDEKOT-UHFFFAOYSA-N 324.388 1.982 0 40 DDAB Cc1nccc(N2CCN(C(=O)NCC3(C4CC4)CC3)CC2)n1 97376486 JPKYIFIELNBQJK-UHFFFAOYSA-N 315.421 1.807 0 40 DDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 96227065 SJJBRNYLOHWXDP-WMLDXEAASA-N 316.405 1.528 0 40 DDAB COc1ccccc1CC(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 257227730 FQQFYPJBQXEHEP-AWEZNQCLSA-N 315.373 1.869 0 40 DDAB Cc1oncc1CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 252586222 OHDRXSWFWXUYPP-UONOGXRCSA-N 314.407 1.151 0 40 DDAB CC(=O)NCc1cccc([C@@H]2CCCN2C2CCN(C)CC2)n1 257224777 FDHQLVMWFUIVMB-SFHVURJKSA-N 316.449 1.949 0 40 DDAB O=C(Cn1cnc2ccccc21)N1CCO[C@H](c2cnccn2)C1 257209305 BPVVJIYSKMNDPY-INIZCTEOSA-N 323.356 1.426 0 40 DDAB CC(=O)NC1CCN(Cc2ccnc([C@H]3CCCO3)n2)CC1 257318959 VQBVLBMRUXZMPW-OAHLLOKOSA-N 304.394 1.429 0 40 DDAB COc1cc(CCC(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)on1 257285102 PFRAHWWOPCTQQR-LALPHHSUSA-N 312.366 1.003 0 40 DDAB Cc1ccncc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257320462 VWXRCBPRFXRFMA-MRXNPFEDSA-N 314.389 1.719 0 40 DDAB CC(C)(C)c1nnc2ccc(NC[C@H](CO)[C@H]3CCOC3)nn12 280858758 DKVHKIKAEOEEHD-NWDGAFQWSA-N 319.409 1.479 0 40 DDAB CC1(C)CC(NC(=O)C(=O)NCc2cccs2)CC(C)(C)N1 298127404 DTRPERGXSPISDK-UHFFFAOYSA-N 323.462 1.790 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc(C(=O)O)cc1 585291713 SDLPQWZPUFAMEE-KFWWJZLASA-N 309.362 1.245 0 40 DDAB CN1CCN(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc21 585123559 YHEUPTHGTRLZNB-ZDUSSCGKSA-N 323.824 1.891 0 40 DDAB CCCn1nc(C(=O)N2CCn3cccc3[C@@H]2C)ccc1=O 29378520 NADRYODLDORVQR-LBPRGKRZSA-N 300.362 1.672 0 40 DDAB CC(=O)N1CCCN([C@@H]2CCN(c3ccccc3F)C2=O)CC1 69696994 BOCLZRPPNTUVJW-MRXNPFEDSA-N 319.380 1.485 0 40 DDAB COC(=O)c1oc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 31607736 ISYDAFMUDRGXPL-RYUDHWBXSA-N 303.314 1.826 0 40 DDAB Cc1oc2nc(Cn3nc(C(C)(C)C)oc3=O)nc(N)c2c1C 95972046 ZZBVDHHFTITSSZ-UHFFFAOYSA-N 317.349 1.917 0 40 DDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1cnn(-c2ccccc2F)c1C 1548448171 QYKZGEVYJWHKCA-DZGCQCFKSA-N 318.352 1.036 0 40 DDAB CO[C@@H]1C2=CC=CC=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 5707313 WYXFMBIUOJXKLZ-HUUCEWRRSA-N 309.325 1.553 0 40 DDAB O=C1CCCN1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12144779 WCKFWESJFFEHAU-AWEZNQCLSA-N 312.373 1.849 0 40 DDAB COCC(=O)N[C@H](c1cccc(OC)c1OC)c1nccn1C 12221711 QYQRMBBWRXWZLS-CQSZACIVSA-N 319.361 1.289 0 40 DDAB Cn1ccnc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 12444507 QLZQLCDZCTXAQE-UHFFFAOYSA-N 318.808 1.965 0 40 DDAB CN1N[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19169740 UWAGVYVKWPTBSL-IXDOHACOSA-N 321.380 1.732 0 40 DDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc2c(c1)OCO2)[C@@H]1C[C@H]31 169305188 YYWXQLYAGFRUQP-WIYAMZDGSA-N 309.321 1.973 0 40 DDAB C[C@H]1C(=O)N(C[C@H](O)C(F)(F)F)C(=O)N1c1ccc(F)cc1 158024014 ICGVUAONGCNTDM-XVKPBYJWSA-N 320.242 1.906 0 40 DDAB CN(C[C@@H](O)Cc1ccccc1)S(=O)(=O)c1cccs1 152036566 JBFQRUFDZFCXGU-ZDUSSCGKSA-N 311.428 1.972 0 40 DDAB Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2ncnc2n1 1889134464 QXHVURMZPDXRRI-UHFFFAOYSA-N 303.757 1.419 0 40 DDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(C(=O)C3CC(C)C3)C[C@H]1O2 1565547264 HSEYKNOIZQFHHQ-QXRZNBQRSA-N 308.422 1.421 0 40 DDAB O=C(C[C@H](NCCO)C(=O)O)Nc1cc(Cl)cc(Cl)c1 4939802 IFYUMCRFSLHNJZ-JTQLQIEISA-N 321.160 1.357 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2scnc2C)C1 2055772205 HPDUCAZMKPQESX-HNNXBMFYSA-N 319.434 1.385 0 40 DDAB O=C(COc1ccccc1F)NCCOCCn1ccnc1 575620958 WSZCPKXLBRGNEK-UHFFFAOYSA-N 307.325 1.234 0 40 DDAB O=C(Nc1cccc(Cl)c1)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585387120 NKIJGQXGXBXSSH-TXEJJXNPSA-N 319.748 1.561 0 40 DDAB Cc1cnc2c(S(=O)(=O)NCCCC(=O)O)cccc2c1 37417934 OLMRMKSIFNPYKT-UHFFFAOYSA-N 308.359 1.686 0 40 DDAB CC(C)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 50170208 DDBXWNRKMOVEBT-UHFFFAOYSA-N 313.405 1.681 0 40 DDAB COCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(Cl)c1 40540022 AYTVVIPGHZBKOB-QMMMGPOBSA-N 323.773 1.404 0 40 DDAB C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 40526591 WBBPOMIBNWEGEZ-PHIMTYICSA-N 312.391 1.731 0 40 DDAB CCc1cc(NC[C@@H](O)COc2ccccc2)n2ncnc2n1 51998577 AAJGNRWZTKYDRG-CYBMUJFWSA-N 313.361 1.539 0 40 DDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cncn1 32772501 OEPNUAWHXIHRSN-UHFFFAOYSA-N 324.388 1.456 0 40 DDAB Cc1cc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)ccc1F 21549195 BVAPZSPYWMACJB-UHFFFAOYSA-N 307.325 1.081 0 40 DDAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@@H](C(N)=O)C3)c2O1 41127708 VHBQYNDIWQKUHT-GFCCVEGCSA-N 318.373 1.113 0 40 DDAB C[C@H]1CN(CCNC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 32903046 YYAAPIUPQTVVML-RYUDHWBXSA-N 321.377 1.646 0 40 DDAB CC1(C)NC(=S)N(O)[C@]12C[C@@]1(C)N(O2)C(=S)NC1(C)C 499275 YDAFOEHJJGLTJA-NEPJUHHUSA-N 316.452 1.103 0 40 DDAB CCOC(=O)CCC(=O)c1cccc(CN2CCN(C)CC2)c1 22028108 TVKZXXWGQOXSCQ-UHFFFAOYSA-N 318.417 1.960 0 40 DDAB O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCC2 41630060 ZIMPIAIMGFDXEQ-UHFFFAOYSA-N 306.391 1.135 0 40 DDAB N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1-c1ccccc1 22199784 RMIWOBZRDLTHHM-UHFFFAOYSA-N 305.341 1.911 0 40 DDAB COC(=O)CS[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 22973056 MSTSLGJZLNMRDB-MRVPVSSYSA-N 309.343 1.495 0 40 DDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 810107 APYXKOUTIIAMBK-SECBINFHSA-N 302.783 1.226 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)o1 23305708 JDUHDDUPJBFMAY-HWPZZCPQSA-N 319.361 1.486 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(Cl)cn2)C1 77957509 GDNFKTWEICUIFK-ZDUSSCGKSA-N 314.817 1.010 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)NOCc3ccccc3)n2)cc1 78580002 CAQLJVMQOJTAIR-UHFFFAOYSA-N 323.356 1.897 0 40 DDAB O=c1[nH]ncc(NCc2nc(-c3cccs3)n[nH]2)c1Cl 79047721 IVQAZRFVKBVHAZ-UHFFFAOYSA-N 308.754 1.882 0 40 DDAB C[C@H](CNc1ccccc1)NC(=O)N[C@H](C)c1nncn1C 79104273 OODXZZYDEHHDPM-VXGBXAGGSA-N 302.382 1.676 0 40 DDAB O=C(NCC1CCOCC1)[C@H]1CCCN(c2ncccn2)C1 79478796 IRRRIBGAHDZUKT-AWEZNQCLSA-N 304.394 1.236 0 40 DDAB C[C@@H](CNS(=O)(=O)c1ccccc1)Sc1ncccn1 3286639 DVYLVWLGTWMUPY-NSHDSACASA-N 309.416 1.936 0 40 DDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6051088 REAXNDAWSGBSLL-JTQLQIEISA-N 302.371 1.409 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6728817 JBDRXPMABAOOHB-RQJABVFESA-N 305.330 1.902 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(OC)cc1 7215621 FVXXXOMDXXSSCU-UHFFFAOYSA-N 314.407 1.230 0 40 DDAB COc1ccnc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 25570576 KVFZAXMRCNGYGZ-LBPRGKRZSA-N 302.334 1.363 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCS(C)(=O)=O)cc1 56880544 BOPXNWGUQFIVBY-ZWNOBZJWSA-N 324.402 1.056 0 40 DDAB O=C(CCn1cncn1)N1CCO[C@@H](c2ccc(F)cc2)C1 44709514 ZQPQRBRHPPWSKN-CQSZACIVSA-N 304.325 1.407 0 40 DDAB CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 2069036 QIFIDNXBWMZBFF-UHFFFAOYSA-N 310.423 1.972 0 40 DDAB Cc1cc(C)n(CC(=O)n2cc(C(=O)c3ccccc3O)cn2)n1 44868091 ZYDVEFTZTDSSBW-UHFFFAOYSA-N 324.340 1.973 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccccc1 44895215 HBIGFJCWWGEIQM-CABCVRRESA-N 314.389 1.988 0 40 DDAB CN1CC(=O)N(CCCc2nc(-c3ccccc3)no2)C1=O 58342423 ZKCBPLGXQIYSAT-UHFFFAOYSA-N 300.318 1.563 0 40 DDAB O=C(NCCCNC(=O)[C@H]1CC=CCC1)c1cccc(O)c1 58343383 XKGNXXGAEUQCDL-ZDUSSCGKSA-N 302.374 1.985 0 40 DDAB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1 58306420 ZYCAQFGOAABKSU-NSHDSACASA-N 306.366 1.079 0 40 DDAB CCONC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58355815 JRAXPXPYBLFZJJ-LLVKDONJSA-N 306.318 1.088 0 40 DDAB COc1ccccc1-c1cc(O)n([C@H]2CCS(=O)(=O)C2)n1 101449792 PJTIOCBQHHILHB-JTQLQIEISA-N 308.359 1.624 0 40 DDAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)NCc1ccco1 11903493 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C[C@@](Cl)(CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 6566358 AEJGYOQQDKQIPO-SNVBAGLBSA-N 312.174 1.700 0 40 DDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)NCC1CCCCC1 6533326 UDELUWGQATUSPG-VIFPVBQESA-N 309.439 1.818 0 40 DDAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2Br)CN1 19735785 UUMSLFKYJJTLBB-WPRPVWTQSA-N 300.152 1.731 0 40 DDAB CCc1nonc1NS(=O)(=O)c1ccc(CNC(C)=O)cc1 28249165 NGEQJMLPBUKKME-UHFFFAOYSA-N 324.362 1.069 0 40 DDAB Cn1c(CNC(=O)[C@@H]2COc3ccc(F)cc3C2)n[nH]c1=S 90550931 CNBFDLYPVLDDNG-VIFPVBQESA-N 322.365 1.484 0 40 DDAB CCN1CCC(NC(=O)c2nn(C)c(=O)c3ccccc23)CC1 7964234 INLRMYLVHDFFRA-UHFFFAOYSA-N 314.389 1.148 0 40 DDAB C[C@H](O)CN1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 71871032 QEYGFWZKFRADAV-HNNXBMFYSA-N 312.413 1.907 0 40 DDAB Cc1cccc2nc(CNC(=O)COC[C@@H]3CCCO3)cn12 71890887 LQVDOCVUJAGIJJ-AWEZNQCLSA-N 303.362 1.455 0 40 DDAB COc1ccc(CCNC(=O)/C=C2\SC(=O)NC2=O)cc1 16996441 QUFSQSGKQXQUCH-FLIBITNWSA-N 306.343 1.221 0 40 DDAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccc(=O)[nH]c1 71841983 RDYNIAQSWZNAJK-UHFFFAOYSA-N 303.406 1.759 0 40 DDAB Cn1[nH]c(=O)c2c(C(=O)N3CCSCC3)cc(C3CC3)nc21 71821003 HNDLSDBSJVAPOF-UHFFFAOYSA-N 318.402 1.328 0 40 DDAB CC(=O)c1cccc(NC(=O)N2CCNC(=O)[C@H]2C(C)C)c1 69442150 RDDMPTZPUDPWLT-CQSZACIVSA-N 303.362 1.878 0 40 DDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cccnc1 69416065 ZKZOAEGQYANHLG-NSHDSACASA-N 317.436 1.081 0 40 DDAB CC1(C)COCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 71824783 HVNSIEMSABNYNT-UHFFFAOYSA-N 307.781 1.959 0 40 DDAB COCc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 69699156 IKDNNGUFAUMSJY-UHFFFAOYSA-N 323.352 2.000 0 40 DDAB CCc1nnc(S[C@H](Cc2ccccc2)C(=O)NC)n1C 96501843 LMBMPIGDXGQREM-GFCCVEGCSA-N 304.419 1.827 0 40 DDAB CN(CC1CCN(CCO)CC1)C[C@@H](O)c1ccc(F)cc1 69950522 LCNBISBKUNEZNM-QGZVFWFLSA-N 310.413 1.495 0 40 DDAB O=[S@@](CCN1CCn2c(nnc2C2CC2)C1)c1ccccc1 72268396 JYKSOSHQDFACFY-JOCHJYFZSA-N 316.430 1.779 0 40 DDAB Cc1nc2cc(C(=O)N3CCC[C@H](n4cncn4)C3)ccc2n1C 72235016 PXGATOYWCKSTLJ-AWEZNQCLSA-N 324.388 1.951 0 40 DDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCOCC1 97142584 RWRIVGVRJZMVFJ-YOEHRIQHSA-N 317.433 1.985 0 40 DDAB O=C1CC[C@H](C(=O)Nc2nc(Cc3ccccc3)cs2)N1 97107773 NRWAMXBJGBMAJF-GFCCVEGCSA-N 301.371 1.951 0 40 DDAB C[C@@H](CCNC(=O)NCc1cccc(N(C)C)n1)[S@](C)=O 95437724 KRPMCCQUZAHTBO-WIUDPPPLSA-N 312.439 1.104 0 40 DDAB Cc1cccc(C[C@@H](CNC(=O)[C@@H](C)n2cccn2)C(=O)O)c1 95425401 VYTOADWWEHRICB-HIFRSBDPSA-N 315.373 1.812 0 40 DDAB COc1ccc(Br)c(CC(=O)Nc2nnn[nH]2)c1 95426809 USCPLALSZGJOKV-UHFFFAOYSA-N 312.127 1.152 0 40 DDAB Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)c(=O)[nH]1 95464772 MPWHFILCWYFGHC-ZDUSSCGKSA-N 324.739 1.939 0 40 DDAB CC[C@H](CNC(=O)[C@H](C)N1CCN(C)CC1)Oc1ccccc1 95395565 BYMBEZSGEUAPFE-JKSUJKDBSA-N 319.449 1.596 0 40 DDAB O=C(NCc1nnc2n1CCC2)NC1(c2cccc(F)c2)CC1 95399960 HPPGRSUPXRRBJW-UHFFFAOYSA-N 315.352 1.852 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(F)c1 89432733 DJKMVSCLLPNVJU-GXTWGEPZSA-N 308.353 1.998 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1cccc(F)c1F 89768145 DVDGTJFCDMDXEK-QWRGUYRKSA-N 318.327 1.922 0 40 DDAB COc1cc(CCC(=O)N(C)C[C@@H](C)C(=O)O)cc(OC)c1 89895805 ZFAZUBGYAAXMHN-LLVKDONJSA-N 309.362 1.816 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(O)cc2C1 75472337 PSBDRUWPVBPOGY-UHFFFAOYSA-N 321.336 1.827 0 40 DDAB C[C@@H]1CCCN(c2cc(N(C)CC(=O)N3CCCC3)ncn2)C1 89929838 BEEYRSUGGKUTHF-CQSZACIVSA-N 317.437 1.772 0 40 DDAB CCCC(=O)NCc1nn(C)c2sc(C(=O)NC3CC3)cc12 306137731 REMQXDYRHFNRAW-UHFFFAOYSA-N 320.418 1.943 0 40 DDAB CCS(=O)(=O)[C@@H]1CC[C@@](CN)(NC(=O)OC(C)(C)C)C1 217948414 DHSJUDWNALRYAX-ZWNOBZJWSA-N 306.428 1.196 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 32906449 SSSKHQPYIBTFIM-LLVKDONJSA-N 319.405 1.812 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCCO2)o1 72239854 FXDYWIOEFCEUQC-JSGCOSHPSA-N 306.362 1.374 0 40 DDAB COC(=O)c1ccc(Cn2c(=O)c3ccccc3n(C)c2=O)cc1 72408064 BCRAFAMBFMYGIA-UHFFFAOYSA-N 324.336 1.535 0 40 DDAB CN1CCCN(CC(=O)N2CCNC2=O)c2cc(F)ccc21 77360136 GVWSRVUPQKRVAQ-UHFFFAOYSA-N 306.341 1.024 0 40 DDAB O=C([C@H]1CCCN1)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 225475276 NKIDQSSTCQUMHX-SNVBAGLBSA-N 316.327 1.887 0 40 DDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(F)cc2)c1=O 225967114 KIMBJNHZJTVWPS-UHFFFAOYSA-N 304.277 1.751 0 40 DDAB O=C(COc1nn(-c2ccccc2)cc1Cl)N1CCOCC1 227151777 HUSPBCRTPLXXRG-UHFFFAOYSA-N 321.764 1.763 0 40 DDAB COc1cc(Br)ccc1CCCNS(C)(=O)=O 96502295 QEVDXQNKKCURMB-UHFFFAOYSA-N 322.224 1.940 0 40 DDAB O=C(c1cccnc1)N1CCC2(C1)CN(C(=O)c1ccoc1)C2 96046463 VOZWZUMNZSKMKH-UHFFFAOYSA-N 311.341 1.663 0 40 DDAB CCS(=O)(=O)[C@@H](CO)[C@H](O)c1ccc(Cl)cc1Cl 96522014 CQZWPJUFSXKOTD-WDEREUQCSA-N 313.202 1.822 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1cc(C)oc1C 96081203 ZZCHCPAGLRJJOB-KGLIPLIRSA-N 306.362 1.358 0 40 DDAB C[C@H]1CN(C(=O)NCc2nccc(C(F)(F)F)n2)[C@H](C)CO1 334128819 RTDMLRISHNOVFD-BDAKNGLRSA-N 318.299 1.814 0 40 DDAB COCCn1c2c(ccc1=O)C[C@H](NCc1ccoc1)CC2 96189659 RWCFLOGNNQCTRZ-OAHLLOKOSA-N 302.374 1.735 0 40 DDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 96038697 NXXLZNKUJHXQIJ-GDBMZVCRSA-N 324.446 1.492 0 40 DDAB CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2c(c1)OCO2 96186199 PSUKAXDCBWDEHN-VXGBXAGGSA-N 302.330 1.251 0 40 DDAB Cc1nc(C(=O)N2CCOCC2)cc(N2CCC[C@H](C)C2)n1 96182759 LIRWOOVXGYRFJF-LBPRGKRZSA-N 304.394 1.494 0 40 DDAB CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccccn3)C2)O1 96160183 IWXKGMUKUPLKFK-SJORKVTESA-N 305.422 1.393 0 40 DDAB O=C(NC1CC1)N1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96219211 VTMKSFACCPWNIM-MLGOLLRUSA-N 320.368 1.738 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 96196846 CAWKZGDTBQZWFY-HNNXBMFYSA-N 306.454 1.618 0 40 DDAB COc1ccc(CN2C(O)=NS(=O)(=O)c3cccnc32)cc1 96511565 NEBWIZWWWZVWPB-UHFFFAOYSA-N 319.342 1.713 0 40 DDAB O[C@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 96200436 JJTPRODAQSSKMX-HOTGVXAUSA-N 312.369 1.988 0 40 DDAB CN(CC(=O)Nc1ccncc1)Cc1ccc2c(c1)OCCO2 96403654 RHBUFXSSJJXVPO-UHFFFAOYSA-N 313.357 1.923 0 40 DDAB CC(C)CN(Cc1nc(N)nc(N(C)C)n1)c1cccc(O)c1 96459523 SVPLIVPSOFYCDQ-UHFFFAOYSA-N 316.409 1.888 0 40 DDAB COCCC(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 96255265 QIFTVEIFJGXASW-UHFFFAOYSA-N 312.373 1.502 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 247444415 YEAUBYBBPXZHRN-MCIONIFRSA-N 319.357 1.690 0 40 DDAB CO[C@H]1CCCOC12CCN(C(=O)c1cnc(C)nc1C)CC2 257243456 IHAUDOGYZWPHIH-HNNXBMFYSA-N 319.405 1.894 0 40 DDAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1[nH]ncc1C 257281042 ONKBLRNRBKGWER-GFCCVEGCSA-N 300.428 1.832 0 40 DDAB CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252515073 GWSINPKOOKHISK-BFHYXJOUSA-N 317.838 1.832 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2cncs2)n1 257241147 HWUCELWZKGHDBM-GFCCVEGCSA-N 305.407 1.857 0 40 DDAB Cc1c[nH]c([C@H]2CN(C(=O)CCCN3CCCC3=O)CCO2)n1 257220734 DLXRSYQTCNFYNZ-CYBMUJFWSA-N 320.393 1.021 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccccc1 630446714 UVHJMQBOZGHSMA-WDEREUQCSA-N 319.329 1.777 0 40 DDAB CCOCC(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575404039 LSTMJOJHZRMXSK-CQSZACIVSA-N 322.430 1.721 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)C3CCC3)CO2)C1 575405981 LPNCCGREEAABGX-IPYPFGDCSA-N 320.433 1.566 0 40 DDAB CC(=O)N1C[C@H](CC(=O)N(Cc2ccccc2)C(C)C)[C@@H](O)C1 585280150 BUMLSZDZVIBOFN-IRXDYDNUSA-N 318.417 1.653 0 40 DDAB Cc1cc2n(n1)C[C@H](CN[C@@H](c1nccn1C)C(C)C)CN2 69348578 ICMHSPZKDYICOP-DZGCQCFKSA-N 302.426 1.954 0 40 DDAB CCO[C@H](C(=O)N1CCn2c(C)nnc2C1)c1ccccc1 69458712 GXZHJKGXTFKAQP-HNNXBMFYSA-N 300.362 1.707 0 40 DDAB Cc1c(C(=O)COC(=O)[C@H]2COCCO2)oc2ccccc12 46313243 GOTHASXCJJGOQF-CQSZACIVSA-N 304.298 1.883 0 40 DDAB Cc1csc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 47890939 XPDCUBDUZNSZGD-ZDUSSCGKSA-N 308.451 1.584 0 40 DDAB O=C(CSC1CCCC1)N1CCN(CCn2cccn2)CC1 62153576 DFUMFAJIMPOTIY-UHFFFAOYSA-N 322.478 1.703 0 40 DDAB COc1ccc(NC(=O)C2=CN(C)S(=O)(=O)N=C2C)cc1 1361598184 GYAVETUKJLKGSY-UHFFFAOYSA-N 309.347 1.169 0 40 DDAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)C2CC2)C1 96025388 VDMLZTNRSXUCAF-ZDUSSCGKSA-N 315.416 1.027 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1ncn(-c2ccccc2)n1 11476244 MVFOKCJWCDKRQF-SECBINFHSA-N 305.363 1.204 0 40 DDAB Cc1nn(CC(=O)NCC2CC2)c(=O)c2cc3sccc3n12 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CN(C(=O)c1ccc2c(c1)OCO2)[C@]1(C)CCS(=O)(=O)C1 4505107 XNOWGVCTROVGOD-CQSZACIVSA-N 311.359 1.065 0 40 DDAB CC(C)CNC(=O)C(=O)NCCCc1ccc(N(C)C)cc1 11693762 WIFXARUURVCCAA-UHFFFAOYSA-N 305.422 1.574 0 40 DDAB Cc1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 2086869005 RCIAAZVZFYNWJV-UHFFFAOYSA-N 302.407 1.841 0 40 DDAB CCCCN[C@@H](CC(=O)Nc1ccccc1C(=O)OC)C(=O)O 5258534 QYIRSAFALFHGGS-ZDUSSCGKSA-N 322.361 1.645 0 40 DDAB COc1cc(SC)ccc1C(=O)NCCN1CCOCC1 20025979 VOZPMLVSPDVKMU-UHFFFAOYSA-N 310.419 1.479 0 40 DDAB CCc1ccc(OCC(=O)NCCCN2CCOCC2)cc1 20192695 KWRMCSCCXOPZGO-UHFFFAOYSA-N 306.406 1.466 0 40 DDAB CCCOc1ccc(C=O)c(OCC(=O)NC[C@H]2CCCO2)c1 20284313 BMHSJMMMDKWODW-OAHLLOKOSA-N 321.373 1.962 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2ccc3[nH]cnc3c2)n1 40485494 JTSGEIPDELVKFI-UHFFFAOYSA-N 301.331 1.300 0 40 DDAB O=C(NCc1ccccc1F)N1CCN(c2cnccn2)CC1 31725560 BKPQAFBKKQIPQZ-UHFFFAOYSA-N 315.352 1.648 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@H](C)C3)cn2)n1 40514046 WZPHXKXTCCZWQV-CYBMUJFWSA-N 300.362 1.745 0 40 DDAB CCCn1nc(C(=O)NCc2ccnc(N(C)C)c2)ccc1=O 40512588 UQCFKMWWGIQAAN-UHFFFAOYSA-N 315.377 1.044 0 40 DDAB CC(C)CCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 20729579 OQOUMZHHLYPQNN-UHFFFAOYSA-N 316.409 1.503 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101632811 MQXXAGCTJNDSQL-RWMBFGLXSA-N 310.357 1.120 0 40 DDAB Cc1ccccc1N(CC(=O)Nc1ccccn1)S(C)(=O)=O 21893848 ISOCMPLODIXPOU-UHFFFAOYSA-N 319.386 1.795 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 102942466 ROGMRVURGXLDJZ-ZDUSSCGKSA-N 303.366 1.583 0 40 DDAB CC(C)[C@H]1Cc2c(sc3c2-c2nncn2-c2nncn2-3)CO1 520736 WZRSOTSQQOESQC-SECBINFHSA-N 314.374 1.987 0 40 DDAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 22263184 HUTVSWUZZTWNDW-CYBMUJFWSA-N 311.341 1.774 0 40 DDAB COc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)ccc1C 104111039 BGUDRWHAWVSKBI-GFCCVEGCSA-N 302.330 1.023 0 40 DDAB CONC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 23041193 YYNGXMQKGVNBJX-UHFFFAOYSA-N 301.346 1.804 0 40 DDAB Cn1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 47529801 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Cc1cccc(OCCNC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c1 25412882 WGIAQNKAXIMXRP-OAGGEKHMSA-N 320.433 1.988 0 40 DDAB Cc1ncc2c(n1)CCC[C@H]2Nc1nnc(Cl)cc1C(N)=O 95406098 PHAIPEWVEILYGO-LLVKDONJSA-N 318.768 1.817 0 40 DDAB CCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 1830914 VTRHZWKWIUGDLQ-UHFFFAOYSA-N 310.423 1.972 0 40 DDAB Cc1cccc2c(=O)[nH]c(CSc3nnc(C)n3N)nc12 57915287 ZDKLZMYTJVXYBQ-UHFFFAOYSA-N 302.363 1.138 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccncc3)CC2)C1 108533112 LHHPBJBKAZWISB-UHFFFAOYSA-N 323.418 1.016 0 40 DDAB Cc1noc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 27443622 PIUKAXVIOGFTTP-UHFFFAOYSA-N 318.352 1.912 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)no1 58163966 FUSFHSUJSQCXOU-UHFFFAOYSA-N 316.361 1.449 0 40 DDAB CCn1c(=O)n(C[C@@H](O)CN2CCC(C)CC2)c2ccccc21 58155488 FFVJEFIZWQGZKG-HNNXBMFYSA-N 317.433 1.916 0 40 DDAB CN(CC(=O)N[C@H]1CCN(C2CC2)C1)C(=O)c1cccs1 58175393 BORTYVAKRRZZDQ-NSHDSACASA-N 307.419 1.173 0 40 DDAB Cn1c(=O)n(CCC(=O)NCc2ccncc2)c2ccccc21 44894880 BXENEIGKVAFBKN-UHFFFAOYSA-N 310.357 1.442 0 40 DDAB COC[C@H](C)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 44907858 WLZFKXSTYCSHKV-JTQLQIEISA-N 312.801 1.498 0 40 DDAB Cc1cccc(C)c1CNC(=O)N1CCOC[C@@H]1C[C@H](C)O 97162017 PKHBCZOXHWBJMA-GJZGRUSLSA-N 306.406 1.985 0 40 DDAB Cc1occc1C(=O)NCc1ccccc1NS(C)(=O)=O 36392431 COQPOHSODLPGHX-UHFFFAOYSA-N 308.359 1.890 0 40 DDAB O=C1CSc2sc3c(=O)n(-c4ccccn4)cnc3c2N1 28405356 DQPQIJFXSCQLHA-UHFFFAOYSA-N 316.367 1.886 0 40 DDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 11615488 LQPDKZIQDDLURY-UHFFFAOYSA-N 323.418 1.442 0 40 DDAB COc1cc(OC)c(OC)cc1CNC(=O)Cn1ccnc1 29594347 HVYIUFWTANJCAV-UHFFFAOYSA-N 305.334 1.225 0 40 DDAB C[C@@H]1CCc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C1 29788803 OANWVGZVPAQGQS-MRVPVSSYSA-N 306.391 1.815 0 40 DDAB Cn1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cn1 12693919 ROUPFAPDOQAUEL-UHFFFAOYSA-N 320.374 1.113 0 40 DDAB O=C(Cc1noc2ccccc12)NCCCCN1CCOCC1 48286607 ZDSXWWDVFVBDSR-UHFFFAOYSA-N 317.389 1.599 0 40 DDAB COC(=O)c1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 12974024 WCBLNSCUASPLCB-UHFFFAOYSA-N 314.223 1.862 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 13252356 MHWCFCIGKOYFER-STQMWFEESA-N 302.330 1.652 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccnn2C)c(C)c1F 96008578 BOSJSUDLTMHJKP-UHFFFAOYSA-N 313.354 1.355 0 40 DDAB CCOC(=O)C(C(=O)OCC)C(=O)N1CCc2ccccc21 4108846 USAVVMWUHFAANL-UHFFFAOYSA-N 305.330 1.318 0 40 DDAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O 95429923 SVWLBZZQPINVEL-POJUEXTFSA-N 313.401 1.980 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)[C@H]2C[C@H]2C)cc1OC 39707352 FSNWQCIXSAIILV-USWWRNFRSA-N 307.346 1.992 0 40 DDAB NC(=O)Cn1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)n1 84502189 AFUVHCNMQJMILL-QWRGUYRKSA-N 302.309 1.250 0 40 DDAB COc1cc(N2CCC([C@H](O)c3cccnc3)CC2)ncn1 65370164 LVAHHFVZPFBBPU-INIZCTEOSA-N 300.362 1.830 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1cc(-c3cccnc3)on1)CC2 65563890 VWXOEMDGUGZKJQ-GFCCVEGCSA-N 324.344 1.381 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1O 14186966 FTJUCPVRBQUMEU-UHFFFAOYSA-N 320.370 1.699 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)COc3ccccc3C2=O)cc1 6669614 YHAGUGODNLFQNX-UHFFFAOYSA-N 324.336 1.995 0 40 DDAB COc1ccnc(N2CCC[C@H]2C(=O)N2CCSCC2)n1 66818237 SPZBKYXCWRSGKC-NSHDSACASA-N 308.407 1.029 0 40 DDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 6847395 FJUQTIWEBLERLG-STQMWFEESA-N 317.341 1.741 0 40 DDAB COCCc1noc(-c2cccc(N3CCCNC3=O)c2)n1 96449310 OYSZTTSIRJZVSP-UHFFFAOYSA-N 302.334 1.845 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449815 TXXHFDNKHYDEPK-UHFFFAOYSA-N 320.784 1.134 0 40 DDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCc3cccs3)cc21 29709635 LPNWTFNTJLLOLZ-UHFFFAOYSA-N 302.355 1.885 0 40 DDAB Cc1cn2nc(N3CCC[C@H](N4CCNC4=O)C3)sc2n1 71830516 UOCMPRGMIFXXTR-JTQLQIEISA-N 306.395 1.093 0 40 DDAB CN1CCC(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 71883681 MMLRJKYIPKTAHF-QGZVFWFLSA-N 303.450 1.617 0 40 DDAB c1cnnc(N2CCC[C@@H]2CNCc2nc(C3CC3)no2)c1 71859900 MXCNUNXYSYVVBP-GFCCVEGCSA-N 300.366 1.496 0 40 DDAB COC[C@H](O)CN(C)c1nc2ccccc2c2nc(C)nn12 71899456 DBBLQMDLNXMELL-LLVKDONJSA-N 301.350 1.029 0 40 DDAB O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1cccnc1 71894270 ZFOBGGDHBFXKGT-UHFFFAOYSA-N 323.352 1.888 0 40 DDAB Cc1noc(CCNC(=O)[C@H](C)N2CCc3ccccc3C2)n1 71893311 JPMJRYFRTVLRKM-LBPRGKRZSA-N 314.389 1.484 0 40 DDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@H]1Cn1cccn1 71865355 WPFXVHZQZOXGIO-UONOGXRCSA-N 322.434 1.186 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 71871399 FRAZKQRZYLRHCX-KBPBESRZSA-N 308.397 1.529 0 40 DDAB COC(=O)c1ccccc1NCC(=O)NC(=O)NC1CCCC1 9617068 ASPHZUNEKGIVJN-UHFFFAOYSA-N 319.361 1.654 0 40 DDAB CO[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O 69520391 ZYPAIXVIPSMZNU-BXUZGUMPSA-N 305.378 1.110 0 40 DDAB CCn1c(S)nc2cc(C(=O)NCCOC)ccc2c1=O 17321655 VQHSXCSPSBNHOR-UHFFFAOYSA-N 307.375 1.081 0 40 DDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCS(=O)(=O)C1 69634680 IAUVJDBPSQEHLM-SCZZXKLOSA-N 313.341 1.611 0 40 DDAB Cc1ccc(N2CCC[C@@H](NCc3nnc(C4CC4)o3)C2)nn1 69820136 DWJMQZZDVRKQFL-CYBMUJFWSA-N 314.393 1.804 0 40 DDAB NC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 20475486 LMPYZDJXWBSRRG-UHFFFAOYSA-N 319.224 1.561 0 40 DDAB Cc1cc(N(C)C)nc(N2CCC[C@H](Cn3cncn3)C2)n1 69966682 LKTBPADGSYLTEI-ZDUSSCGKSA-N 301.398 1.359 0 40 DDAB CCO[C@@H](CCN(C)C)CNC(=O)Cc1ccc(OC)cc1 84800649 LSQPDLCFJYCZPW-INIZCTEOSA-N 308.422 1.711 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCN(CC)CC)c1C 8981338 OYNBBLSWGZEKEM-UHFFFAOYSA-N 309.410 1.880 0 40 DDAB Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)no1 84116976 DWLRVFACGNTKKB-UHFFFAOYSA-N 300.318 1.172 0 40 DDAB O=S(=O)(NCC(F)F)c1ccc(OCC(F)(F)F)nc1 97046814 JBHSNUJRYMVBAK-UHFFFAOYSA-N 320.239 1.566 0 40 DDAB Cc1cc(Br)cn(C[C@@H](O)COC(C)C)c1=O 97032630 HSGNQFGLGNHYEG-LLVKDONJSA-N 304.184 1.705 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-n3cccn3)nc2)C1=O 95992460 URVINSMZHVINMW-MRXNPFEDSA-N 311.345 1.488 0 40 DDAB CN(CCn1cnnc1)S(=O)(=O)c1c(F)cccc1Cl 95944609 VRUSDSVPYIGVMJ-UHFFFAOYSA-N 318.761 1.391 0 40 DDAB Cc1ccc(N2CCC[C@H]2COC(=O)c2cccn2C)nn1 89652324 RIVHFCICWMRNNW-ZDUSSCGKSA-N 300.362 1.949 0 40 DDAB CC1=C(C(=O)OCC(C)C)[C@@H](c2csnn2)NC(=S)N1 67029025 YGKJCSCYEUUFNS-SNVBAGLBSA-N 312.420 1.530 0 40 DDAB O=C(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408618659 DUZYIVJQVZPIKP-WQAPVAGSSA-N 307.349 1.809 0 40 DDAB O=S1(=O)CC[C@@H](N(CCO)Cc2cccc(Cl)c2)C1 69776314 QNTLPLAEEAESLB-CYBMUJFWSA-N 303.811 1.321 0 40 DDAB Cn1nc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)c2ccccc21 1553469568 NELZBFKBFTVMMI-OAHLLOKOSA-N 313.405 1.596 0 40 DDAB CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1ccccc1 36128098 MGCPFFMUXVQTGH-UHFFFAOYSA-N 314.389 1.475 0 40 DDAB CC(=O)Nc1nnc(S(=O)(=O)NC2CCCCC2)s1 36182537 UHAJBLBCNJTXED-UHFFFAOYSA-N 304.397 1.108 0 40 DDAB C[C@](O)(CNC(=O)NC[C@H]1CCN(C2CC2)C1)c1ccco1 73716974 KKDUKMPBLNMEDL-WBMJQRKESA-N 307.394 1.271 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccn2)c1 72364496 YCTCVXRAZOIRCA-CYBMUJFWSA-N 306.391 1.211 0 40 DDAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN2CC(N)=O)n1 72384653 FUMOOKPHYXOJJA-LBPRGKRZSA-N 312.377 1.546 0 40 DDAB C[C@@H](Cc1cccc(F)c1)C(=O)N(C)C[C@H](C)c1nnn[nH]1 183451527 UETSCTBLCPHHKM-QWRGUYRKSA-N 305.357 1.780 0 40 DDAB CCC(=O)NC(=S)Nc1ccc(N2CCOCC2)c(OC)c1 70461130 VZSNEMKJMQYQRF-UHFFFAOYSA-N 323.418 1.755 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)Cc1noc3ccccc13)CC2 71851753 DXZHTQIIZCZIOK-LLVKDONJSA-N 311.345 1.401 0 40 DDAB COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 70655701 ARBFQUOXXNXUJA-AWEZNQCLSA-N 314.769 1.101 0 40 DDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC 217713977 KWUOPVJHCMSBRU-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB C=CC(=O)OCCCOCCCOCCCOC(=O)C=C 38655839 FWQJYIDNAYBUMM-UHFFFAOYSA-N 300.351 1.648 0 40 DDAB in-vitro O=C(Nc1ccc(F)cc1)[C@@H]1CN(c2ncccn2)CCO1 72355754 QJMHBKJHTQUTLS-ZDUSSCGKSA-N 302.309 1.460 0 40 DDAB Cc1cccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)c1 33756617 KQMZXEULTLRDDF-UHFFFAOYSA-N 314.389 1.752 0 40 DDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCc1ccncc1 79502104 YEHKEAGYJRWVIR-UHFFFAOYSA-N 315.373 1.407 0 40 DDAB Cc1nc(C(=O)N2CCN3CC[C@H]2C3)nn1-c1ccc(F)cc1 566093575 CXJZTKLYRFCIGR-AWEZNQCLSA-N 315.352 1.245 0 40 DDAB CN(C[C@@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 79412263 SHMVJVHCUBHQQG-AWEZNQCLSA-N 305.378 1.205 0 40 DDAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nn1 72387367 OLECJGUYZYOOLN-LBPRGKRZSA-N 314.393 1.347 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218563081 UEMYJSQEOMJZMY-JYJNAYRXSA-N 311.447 1.884 0 40 DDAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CO 72224691 MRLKJSRKSSTLTA-UHFFFAOYSA-N 307.394 1.939 0 40 DDAB CC(C)OCCCn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O 70460601 YYQYVHLIFFXJDJ-UHFFFAOYSA-N 306.318 1.203 0 40 DDAB CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 41184152 CIRLICBRTBHVOX-UHFFFAOYSA-N 306.391 1.505 0 40 DDAB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 229853003 KAXCZSAKZGTKSB-NOXHYTERSA-N 319.744 1.535 0 40 DDAB CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223362936 DZVVDJJNJZWOFB-DGCLKSJQSA-N 318.373 1.821 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2CCOC3(CCCC3)C2)o1 571044285 SWEOOGYQSGAYNV-UHFFFAOYSA-N 315.347 1.312 0 40 DDAB CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)Cc2cccs2)C1=O 81807267 PONJIDSCIPGRHU-ZYHUDNBSSA-N 308.403 1.579 0 40 DDAB O=C(c1ncn[nH]1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220760545 IWZCOPLNQKUKLH-VIFPVBQESA-N 302.338 1.160 0 40 DDAB Cn1[nH]c([C@H]2CCCN2C(=O)c2cnc3cnccc3c2)nc1=N 572966978 MSYORBGGLBGMGW-CYBMUJFWSA-N 323.360 1.148 0 40 DDAB CC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)nn1 132965714 MUMNXJDGCIVGNW-JTQLQIEISA-N 315.381 1.502 0 40 DDAB CC(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223926049 BAKQDXCMMGLDLF-UHFFFAOYSA-N 308.403 1.672 0 40 DDAB COC(=O)c1sccc1CN1CCN(c2cccnn2)CC1 95410298 DELRUIOCAQOQFV-UHFFFAOYSA-N 318.402 1.647 0 40 DDAB CNC(=O)[C@@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 97953818 VUBGDGLXKQDIJQ-VBNZEHGJSA-N 318.373 1.141 0 40 DDAB C[C@@H](CC(=O)c1cccs1)NC(=O)CN1CCCCC1=O 95435155 JKEXDGFBAOSBTL-NSHDSACASA-N 308.403 1.838 0 40 DDAB O=C1N(Cc2ccncc2)CC[C@@]12CCCN(c1ncccn1)C2 96048671 IZNVOHOTZLPPDS-GOSISDBHSA-N 323.400 1.891 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccsc2)C12CCC2 96440806 LONXRDIAZLCLAI-CHWSQXEVSA-N 322.430 1.942 0 40 DDAB Cc1oncc1C(=O)N1CC[C@H]2[C@H]1CCN2c1nncs1 96064083 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DDAB O=C(/C=C/c1ccc2c(c1)CCO2)N[C@H]1CCn2cncc2C1 585141086 PCYMALXQVFIGAM-OMDKTOEGSA-N 309.369 1.962 0 40 DDAB COCCOCCOc1ccc([C@H](N)CC(=O)O)cc1OC 584906250 QRPSXHHJBOMGNN-GFCCVEGCSA-N 313.350 1.212 0 40 DDAB CN1CCC(C(=O)N2CC[C@](O)(COc3ccccc3)C2)CC1 585269519 XXPMUHRFUDHTKD-GOSISDBHSA-N 318.417 1.371 0 40 DDAB CN1C[C@H](CO)CC12CN(C(=O)CCc1ccc(Cl)cc1)C2 585093767 DXVLNJYNVNWWJW-CQSZACIVSA-N 322.836 1.798 0 40 DDAB COc1ccc(CCNC(=O)NCC2(O)CCOCC2)cc1 70639076 ONNURJYKZPTZFF-UHFFFAOYSA-N 308.378 1.078 0 40 DDAB O=C(Cc1cccnc1)N1CCC[C@@H](COc2ncccn2)C1 1775995234 JHUBANDLHGMOAF-OAHLLOKOSA-N 312.373 1.732 0 40 DDAB CCCC(=O)N1CCC(C(=O)NCCN2CCCCC2)CC1 55365740 BLZQKGMJMMEDQP-UHFFFAOYSA-N 309.454 1.627 0 40 DDAB Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)c2cnn(C)c2n1 78299900 RLUDHKFTYKCPPM-LLVKDONJSA-N 301.272 1.175 0 40 DDAB CC(C)(C)OC(=O)N1[C@H]2C[C@@H]([C@@H]3OC(C)(C)O[C@H]32)[C@@H]1C(=O)O 169805688 LGSMWHUTRPDMIY-XXFSISAASA-N 313.350 1.599 0 40 DDAB Cc1nn(CC(=O)N2CCCC2)c(=O)c2cc3sccc3n12 5108807 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Cc1cc(OC2CN(c3c(C)c(C)nc4ncnn34)C2)ccn1 1889138887 CDONQCHEXVAEET-UHFFFAOYSA-N 310.361 1.712 0 40 DDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)N(C)C)C2)cc1C 2037916013 HFYJEQQKYDBUFK-GOSISDBHSA-N 320.433 1.597 0 40 DDAB CCN1C[C@@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)C[C@@H]2C1=O 2055772855 NGAULKSGUGTOCE-OLZOCXBDSA-N 320.364 1.314 0 40 DDAB COCC(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 2055824344 AHGLTZOWIKHXSA-QGZVFWFLSA-N 322.380 1.670 0 40 DDAB CCN(CC)C(=O)CSc1nnc(CCCCCN)o1 2369759 ACKQAIFIGLNKRW-UHFFFAOYSA-N 300.428 1.702 0 40 DDAB O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 77108424 MCNIOJSFNLJRLP-GFCCVEGCSA-N 314.744 1.695 0 40 DDAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(F)c2)CCO1 30333629 CNZLLULQJJSKKY-JTQLQIEISA-N 303.355 1.634 0 40 DDAB CCn1nnc2cc(C(=O)N[C@H](CC(C)C)C(=O)OC)ccc21 30847142 GUIMFPIIPDYCSN-CYBMUJFWSA-N 318.377 1.769 0 40 DDAB O=C(COc1cccc(CNC(=O)C2CCC2)c1)NC1CC1 50386401 YXPOAEZRBQNIAZ-UHFFFAOYSA-N 302.374 1.760 0 40 DDAB CCCC(C)(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1 50498244 LVSBNLSGBMOWRY-UHFFFAOYSA-N 304.456 1.743 0 40 DDAB C[C@H]1CCc2nc(NC(=O)CN3CSCC3=O)sc2C1 40462181 KUYHVUIADWVWGQ-QMMMGPOBSA-N 311.432 1.739 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2ccc(Cl)cc2[nH]1 40510406 NNNMTXHJTDWNQN-JTQLQIEISA-N 312.778 1.738 0 40 DDAB C[C@H](CNC(=O)c1nccnc1N)N1CCc2sccc2C1 40512339 XGHPOZYLBZPLCD-SNVBAGLBSA-N 317.418 1.297 0 40 DDAB C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)n1cncn1 40509348 PGFNDEBFYRTKTM-AWEZNQCLSA-N 313.405 1.404 0 40 DDAB Nc1nc(Cl)cc(N(C[C@@H]2CCCO2)C[C@H]2CCCO2)n1 52314541 RJQUOPILJZKSSW-PHIMTYICSA-N 312.801 1.877 0 40 DDAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C2 41838386 KNFCPUNIQYXRFY-TZMCWYRMSA-N 304.415 1.736 0 40 DDAB Cc1noc(C2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 54677931 MLOSABKWIRUCSQ-CQSZACIVSA-N 300.362 1.784 0 40 DDAB CC(=O)N[C@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)C(C)=O 1563486 NEZXCCWOJHPRJA-CQSZACIVSA-N 321.329 1.173 0 40 DDAB CCOC(=O)[C@H]1C(=O)C[C@H]2c3nc4ccccc4cc3CN2C1=O 1722626 HMPKMPLZVHVHOX-ZFWWWQNUSA-N 324.336 1.770 0 40 DDAB 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11443419 ADZMXNKIFLFKEH-JTQLQIEISA-N 311.407 1.474 0 40 DDAB CCN(c1cc(OC)c(OC)cc1C(=O)O)S(C)(=O)=O 22251708 MXFVMHQUZGHFFC-UHFFFAOYSA-N 303.336 1.188 0 40 DDAB C[C@H]1CN(CCCNC(=O)c2n[nH]c3ccccc23)C[C@@H](C)O1 47434198 DXZIROOHHJSFLY-BETUJISGSA-N 316.405 1.792 0 40 DDAB O=C(Nc1nn2cnnc2s1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102379643 HRZFXGAHZGJGOC-GIHOKJNXSA-N 319.390 1.456 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NOCc1ccccc1 97601815 LUCPJZNTDFUTBS-ZIAGYGMSSA-N 314.341 1.186 0 40 DDAB O=C1C[C@@H](Sc2ncn[nH]2)C(=O)N1c1ccc(F)c(F)c1 20798871 PQGRQOXQBVIASD-SECBINFHSA-N 310.285 1.507 0 40 DDAB CCN(C(=O)CN1C(=O)N[C@@H](C(C)C)C1=O)c1ccccc1C 12972332 PEOGTQLNISHJLZ-HNNXBMFYSA-N 317.389 1.924 0 40 DDAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)O)cc1 6588604 SOOASGFHGHFOEL-UHFFFAOYSA-N 321.141 1.786 0 40 DDAB COc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C)c2)n1 4999553 CGAGUCTZPJXCKN-UHFFFAOYSA-N 305.359 1.818 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccc3nncn3c2)n1 71870283 NNIGNHYUMBMLMN-HNNXBMFYSA-N 324.388 1.847 0 40 DDAB C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 68001312 VMXIWHJXIIPACC-JSGCOSHPSA-N 301.390 1.860 0 40 DDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)nnn2C 71870450 SPKGDWAPGVTBCP-CVEARBPZSA-N 313.405 1.667 0 40 DDAB CCCn1c(SCC(=O)Nc2ccnn2C(C)C)n[nH]c1=O 7532831 MEZKXPPIJALNGT-UHFFFAOYSA-N 324.410 1.490 0 40 DDAB O=C(CN1CCC[C@H]1Cc1ccccc1Cl)N1CCNC1=O 71824810 XQXMNOQYVZROOZ-ZDUSSCGKSA-N 321.808 1.899 0 40 DDAB CS(=O)(=O)NCCNC(=O)c1ccc(-c2ccccc2)cc1 8169514 BQIDDWAIIYDGLH-UHFFFAOYSA-N 318.398 1.633 0 40 DDAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 70013392 BDDGJIRVPORJKW-OCCSQVGLSA-N 307.438 1.376 0 40 DDAB COc1ccnc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 69349678 RFHMKPZYPINJGO-CYBMUJFWSA-N 303.366 1.204 0 40 DDAB C[C@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)N(C)C 69454974 KJRBOQUJOSBVKR-GFCCVEGCSA-N 313.405 1.825 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306140112 UKFGVHDZVCLGKE-VNQPRFMTSA-N 316.401 1.872 0 40 DDAB CN(CC(N)=O)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 69567135 OMVWWGFZJPURMS-UHFFFAOYSA-N 319.342 1.096 0 40 DDAB O=C(NCCOc1ccc(F)c(F)c1)NCCn1ccnc1 69629161 QIZVUJVHUOHOJA-UHFFFAOYSA-N 310.304 1.540 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@H](n2ccnc2)C1 69626749 XYXOSDFRWYDCQJ-CVEARBPZSA-N 318.421 1.838 0 40 DDAB C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)C[C@@H](C)O1 69829877 VJPQRPWRKHIOMM-XQQFMLRXSA-N 306.362 1.520 0 40 DDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)O)C1 92181289 HKXGCBBOIKNYDU-MWLCHTKSSA-N 315.778 1.956 0 40 DDAB Cc1cccc(C2(C(=O)NCCNS(C)(=O)=O)CCCC2)c1 71185191 WXUNQASSCWGFRX-UHFFFAOYSA-N 324.446 1.472 0 40 DDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cnn2ccccc12 72300598 BGFRXLUUOMMRFL-OCCSQVGLSA-N 322.434 1.094 0 40 DDAB O=C(CNC1(C(=O)NCC2CC2)CCCC1)Nc1cccnc1 85936551 GZPIPAKKIHTVSK-UHFFFAOYSA-N 316.405 1.449 0 40 DDAB O=C(NCCCn1cncn1)c1ccc(-c2ccccc2)[nH]c1=O 75117615 ASRJQDAFOUBEBA-UHFFFAOYSA-N 323.356 1.454 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCN(Cc2ccccc2F)CC1 28237064 OIGZINDQNRNNGK-UHFFFAOYSA-N 316.380 1.826 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H](c2nncn2C)C1 89904246 OOSOHOFRXUAIAC-QWHCGFSZSA-N 317.393 1.928 0 40 DDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)Cc2ccccc2)C1 89954622 MIHDFGPIPJMYJW-IVZQSRNASA-N 322.430 1.062 0 40 DDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC=CC1 76965330 LMCFXEPJKQOJAQ-UHFFFAOYSA-N 306.387 1.450 0 40 DDAB CCOC(=O)C1CCN(C(=O)COc2cccc(OC)c2)CC1 44508843 PRTZXFUJQZQLGC-UHFFFAOYSA-N 321.373 1.876 0 40 DDAB c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CCNC3)c1 306127891 GJZWCKTUTUBZQH-ROUUACIJSA-N 301.434 1.920 0 40 DDAB CCS(=O)(=O)Nc1cccc(C(=O)NCCCOC)c1 29540854 BLTJCOGIODPEJT-UHFFFAOYSA-N 300.380 1.215 0 40 DDAB O=C(Cn1cnnn1)N1CC[C@H](CSc2ccccc2)C1 81287481 FZSAQBJISPITHE-LBPRGKRZSA-N 303.391 1.314 0 40 DDAB CC(C)NS(=O)(=O)c1cccnc1N1CCC[C@H](F)C1 408226874 PRTNTUDSSHWHHL-NSHDSACASA-N 301.387 1.707 0 40 DDAB Cc1nsc(C)c1C(=O)NS(=O)(=O)C[C@H]1CCCCO1 408489038 PCVWHYLEFJOLMD-SNVBAGLBSA-N 318.420 1.389 0 40 DDAB CCc1cc(N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)ccn1 527565751 RMPUZGRHNYGNJD-CVEARBPZSA-N 313.405 1.391 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@@H]1CN(C(=O)OC(C)(C)C)C1CC1 79409862 RAFYAKLMFRGTCO-WCQYABFASA-N 311.426 1.724 0 40 DDAB CN(Cc1ccnn1C)C(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 36615353 FJKGNHPIPYGMAU-HNNXBMFYSA-N 316.336 1.711 0 40 DDAB COC(=O)CCNC(=O)c1ccnc(OCc2ccccc2)c1 52979630 KCOSUCITAHZVFV-UHFFFAOYSA-N 314.341 1.954 0 40 DDAB CN(C)c1ncc(Br)cc1C(=O)N1CCOCC1 79094937 JXYJQZQECZHAPU-UHFFFAOYSA-N 314.183 1.383 0 40 DDAB O=C(COc1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1 38679290 VVDPGPVJLIEPAT-UHFFFAOYSA-N 320.286 1.911 0 40 DDAB Cc1nc(C)n(CC(=O)NCCc2ccc(N(C)C)cc2)n1 36753087 BBESGPWONNMJGS-UHFFFAOYSA-N 301.394 1.320 0 40 DDAB O=C1CCCC[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)N1 560872865 VFRHZGGDLGWRFS-RBSFLKMASA-N 302.374 1.380 0 40 DDAB NC(=O)CN1CCC(c2csc(Nc3ncccn3)n2)CC1 72367838 RGKCFTFRXWKHCS-UHFFFAOYSA-N 318.406 1.341 0 40 DDAB CCOC(=O)[C@@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218402375 JZXYBVMSFCJJHN-YDHLFZDLSA-N 311.403 1.020 0 40 DDAB Cc1cnn(CC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)c1 77615363 YXYKYNBPRGVVCN-MRXNPFEDSA-N 317.389 1.829 0 40 DDAB COc1ccc(Cl)cc1NC(=O)NC[C@@]1(O)CCOC1 179373140 GLPBPIRCXOLNLR-ZDUSSCGKSA-N 300.742 1.622 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCN1CCCC1)O2 40808735 ZEDJKMSSLVUFHF-KRWDZBQOSA-N 317.389 1.297 0 40 DDAB O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1F 48517757 XAKQOWGXUUNUEP-UHFFFAOYSA-N 300.761 1.931 0 40 DDAB CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccc(OC)cc1 225401368 DGNBUUSAQBMSAY-LSDHHAIUSA-N 319.405 1.083 0 40 DDAB biogenic,in-vitro COc1cc(S(=O)(=O)N2CCC=C(F)C2)ccc1C(=O)O 574396601 BUXPMFQYDYHKFG-UHFFFAOYSA-N 315.322 1.641 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN(C)C[C@@H]2CCC=CO2)cc1 194010025 ZOTKHMJFWFFCOC-HNNXBMFYSA-N 324.446 1.898 0 40 DDAB O=C(NCCCNCc1cccnc1)[C@@H]1CC12CCOCC2 195542763 RLVXBLDCXUZWLN-HNNXBMFYSA-N 303.406 1.494 0 40 DDAB CCOCC(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96042319 UTEXIXCMBMSBRA-KCQAQPDRSA-N 324.352 1.394 0 40 DDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccco2)O1)N1CCOCC1 96057489 TUNKWYKOCOMDEA-BZUAXINKSA-N 320.389 1.260 0 40 DDAB C[C@H](Cn1cnnc1[S@](C)=O)C(=O)c1ccc(F)c(F)c1 97238414 AMGKEKYPSWCBHR-IJSAXESFSA-N 313.329 1.813 0 40 DDAB Cc1ccc(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)o1 96087576 TYCMLBPKNPQQEP-UHFFFAOYSA-N 314.389 1.827 0 40 DDAB c1ccc(CO[C@H]2CN(Cc3ccccn3)[C@@H]3COC[C@@H]32)nc1 96185106 BQQVFSBDXLTJDD-KSZLIROESA-N 311.385 1.893 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2Cc2cccnc2)N1CC1CCOCC1 96063857 IONABDIAUJCWDX-SJORKVTESA-N 315.417 1.683 0 40 DDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4ocnc4C)C[C@H]3O2)n1 96219736 OTSWXCUZUJXJPT-SDDRHHMPSA-N 318.333 1.147 0 40 DDAB CN(C)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21 96059801 BZQVUYRGGQBJJB-AWEZNQCLSA-N 315.377 1.211 0 40 DDAB O=C(C[C@@H]1OC[C@H]2CN(C3CCOCC3)CC[C@@H]12)N1CCCO1 96206985 GDBJMQRCLZUTRM-BMFZPTHFSA-N 324.421 1.056 0 40 DDAB O=C(c1ccoc1)N1C[C@H](OCC2CCOCC2)[C@H]2COC[C@H]21 96185046 MGGVBRRUHWYGED-XHSDSOJGSA-N 321.373 1.562 0 40 DDAB COCCN1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 247907961 XMFITNAHAOLRIU-IRXDYDNUSA-N 306.406 1.978 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257206434 BDKDECJDYSZMAC-AWEZNQCLSA-N 319.336 1.836 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccn(C)n1 257218825 DENOCGVPPCLLEP-AWEZNQCLSA-N 300.362 1.215 0 40 DDAB CN1C[C@@H]2CN(C(=O)Cc3ccccc3)CCN2C(C)(C)C1 253395718 CGXMQVNJDVDTNN-MRXNPFEDSA-N 301.434 1.466 0 40 DDAB biogenic,in-vitro Cc1cc(C(=O)N2CCC(Cc3ccncc3)CC2)nc(O)n1 257303928 SJICVFKVHLELHU-UHFFFAOYSA-N 312.373 1.981 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccncc3)CCO2)n1 257283302 OXSFSOXICKCKSF-LBPRGKRZSA-N 300.318 1.099 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2c(C)noc2C)n1 257220957 DMYIYBRWRJVVKO-GFCCVEGCSA-N 318.333 1.309 0 40 DDAB Cc1c[nH]c([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 257330976 XQWAPRDASMYMDW-GFCCVEGCSA-N 310.361 1.479 0 40 DDAB Cc1cc(CC[C@@H]2CN(C(=O)c3coc(C)n3)CCO2)ncn1 257339258 ZAYQRRYAHXBTGO-CQSZACIVSA-N 316.361 1.555 0 40 DDAB Cc1ncncc1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257280651 OLSVIOQCBJZXAA-BZUAXINKSA-N 318.421 1.283 0 40 DDAB Cc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn2nccc2n1 257267951 MJOZGVXSHBTGHO-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 604382112 FBEAGBDLZTWLPJ-QBPKDAKJSA-N 319.449 1.500 0 40 DDAB biogenic,in-vitro O=C(COc1ccc(F)cc1)Nc1cc(-n2cccn2)ncn1 90614133 ROSKTSNFDZYAJE-UHFFFAOYSA-N 313.292 1.819 0 40 DDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@H]1CC(=O)O)C2 653646599 DQLBMTAWIMXAQS-STQMWFEESA-N 319.357 1.712 0 40 DDAB O=C(NCc1cncc(N2CCCC2=O)c1)c1cscn1 585150211 GOEAERPEJIREFA-UHFFFAOYSA-N 302.359 1.595 0 40 DDAB CCOCC(=O)NC[C@H]1CC[C@@H](Oc2ccc(C)cc2)[C@@H]1O 585286295 WHTMOBNRRRHDBK-FRFSOERESA-N 307.390 1.666 0 40 DDAB COCCOC(=O)c1nnn(-c2cccc3cnccc23)c1C 66729616 QFTOQAKEYCAAKH-UHFFFAOYSA-N 312.329 1.927 0 40 DDAB COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 68561296 ZJDSCVUZPNKYPO-MRVPVSSYSA-N 318.782 1.657 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)C[C@H]2OCCc3sccc32)CC1 69706839 MSSSQWURMIWGHD-TZMCWYRMSA-N 324.446 1.277 0 40 DDAB CCc1nc([C@H]2CCCN2C(=O)CCCn2ccnc2)no1 72299344 MBRLGJYMPNBKQM-GFCCVEGCSA-N 303.366 1.972 0 40 DDAB CCOC(=O)[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)CC 72303230 PXHXLTKJRRKGRL-ZYHUDNBSSA-N 300.399 1.243 0 40 DDAB Cc1cnc(OC[C@@H]2CCCN(CCn3ccnn3)C2)nc1 1776000675 FFUZUJZMECGOCU-CQSZACIVSA-N 302.382 1.168 0 40 DDAB CC(=O)N1CCN(C(=O)CCC(=O)c2cc(C)ccc2C)CC1 46870199 URBPODANLBIANA-UHFFFAOYSA-N 316.401 1.957 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1C1CCCCC1 84543928 WOUQEUFRAWWFQK-AWEZNQCLSA-N 302.440 1.608 0 40 DDAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCN(C)C[C@H]1C 89938881 WQYFWPULVQQMGQ-IJEWVQPXSA-N 317.433 1.651 0 40 DDAB COc1cc2ncnc(N3CCN(C(C)=O)CC3)c2cc1OC 5610440 CRDYXQNYYHTUGW-UHFFFAOYSA-N 316.361 1.316 0 40 DDAB Cc1[nH]c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2c1C 17635184 SHQOMMHLEVUMML-GFCCVEGCSA-N 306.387 1.702 0 40 DDAB C[C@H]1CC(=O)N=C(SCC(=O)NCCc2ccccc2)N1 6469023 QQKJDPVHXOFPDN-NSHDSACASA-N 305.403 1.343 0 40 DDAB C[C@@H](C(=O)N[C@](C)(CO)C1CCCCC1)N1CCSCC1 153060216 QQHWCOIFNDHVMW-XJKSGUPXSA-N 314.495 1.871 0 40 DDAB O=S(=O)(c1cccs1)N1CC(Oc2nccs2)C1 208032761 QEPLBPUNUVKLBR-UHFFFAOYSA-N 302.402 1.657 0 40 DDAB CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 479704 BPGWVFBMUQKGNV-UHFFFAOYSA-N 322.386 1.090 0 40 DDAB aggregator CS(=O)(=O)NC1CCN(c2ncnc3sccc23)CC1 10044514 PMYGEIIXHWXNGB-UHFFFAOYSA-N 312.420 1.209 0 40 DDAB CC(C)N1CCCC[C@]2(CN(C(=O)C3CCC3)CCO2)C1=O 2037984028 NUFJJMFKTRQQSX-KRWDZBQOSA-N 308.422 1.805 0 40 DDAB COc1cccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 5301866 RMQPYVGRDRYDSZ-UHFFFAOYSA-N 314.407 1.143 0 40 DDAB CN1CCCN(C(=O)[C@H]2CCCO2)c2nc3ccccc3nc21 40462807 QJVUMHXHYSCMKJ-CQSZACIVSA-N 312.373 1.982 0 40 DDAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3C)cc1 32095447 VWWQCIIGRPFHLP-UHFFFAOYSA-N 302.355 1.974 0 40 DDAB O=C(N[C@H]1CCSC1)[C@H]1CC(=O)N(Cc2cccnc2)C1 20638814 FWMJUKZGFMXGHD-STQMWFEESA-N 305.403 1.052 0 40 DDAB O=C(NC[C@H](O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 20717962 BEZJPYAQORZCLR-AWEZNQCLSA-N 309.325 1.387 0 40 DDAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(C)(=O)=O)CC1 32754369 KLVHAISDOJINHV-SNVBAGLBSA-N 316.427 1.005 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(c2ccccc2)CCOCC1 32977395 DFNQIKKMHMLENQ-CQSZACIVSA-N 323.414 1.038 0 40 DDAB Cc1cc(CN2CCN(C(=O)NCc3ccncc3)CC2)on1 53509908 CTBGZAMHBPDCFB-UHFFFAOYSA-N 315.377 1.405 0 40 DDAB CC(C)[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 23016869 FHOAIJATSMCQPQ-SNVBAGLBSA-N 305.421 1.413 0 40 DDAB Cc1cc(C)n2nc(Cc3nc4nc(C)cc(C)n4n3)nc2n1 41975 QXXYYPMJIXQJEZ-UHFFFAOYSA-N 308.349 1.386 0 40 DDAB c1ccc2c(N3CCOCC3)nnc(N3CCOCC3)c2c1 137159 KBSKQZQRNQYBGC-UHFFFAOYSA-N 300.362 1.303 0 40 DDAB O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H](O)C[C@H]1CO 95445353 ZOQLWGLWQBLAOJ-IUCAKERBSA-N 304.268 1.665 0 40 DDAB COC(=O)CS(=O)(=O)c1ncc(C(F)(F)F)cc1Cl 3050202 PZWKVAVPLXVUEF-UHFFFAOYSA-N 317.672 1.701 0 40 DDAB CC(C)NC(=O)CSc1nnc(NC(=O)C2CC2)s1 1352515 SHZJDWASDUDXFZ-UHFFFAOYSA-N 300.409 1.503 0 40 DDAB CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 1570241 FVNPLMZSNACTDL-HIFRSBDPSA-N 316.405 1.054 0 40 DDAB CCOC(=O)c1oc2ccccc2c1CN(CCO)CCO 1580102 HNVSQUBFFBUSOJ-UHFFFAOYSA-N 307.346 1.396 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cn1 25308867 BXCDXPZVPVGPTR-CQSZACIVSA-N 312.373 1.450 0 40 DDAB Cn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)cn1 25310843 UPVUOVKAEHZLEN-GFCCVEGCSA-N 305.313 1.297 0 40 DDAB CCOCCCNC(=O)CN1C(=O)COc2ccc(C)cc21 4970737 YRMUSFBKVIVGCT-UHFFFAOYSA-N 306.362 1.263 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)c2csc(-c3ccco3)n2)CCO1 43702055 QVBLHSCUJVAKPW-JTQLQIEISA-N 308.315 1.329 0 40 DDAB CC[C@@H](C)C(=O)N1CCC(C(=O)NC[C@@H]2CCCN2CC)CC1 72272945 JKXDVJBASRSYTG-ZBFHGGJFSA-N 323.481 1.872 0 40 DDAB CC(C)Oc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 57760070 UXNJSJPAEVQAMW-LBPRGKRZSA-N 312.391 1.782 0 40 DDAB COC(=O)c1cc(OC)ccc1NCC(=O)N1CCCCC1 58157406 DBUCLDXNLSTSMU-UHFFFAOYSA-N 306.362 1.906 0 40 DDAB CC(C)OCCN1CCc2cc(S(=O)(=O)N(C)C)ccc21 44874825 FGUKZSHFJJCAQT-UHFFFAOYSA-N 312.435 1.724 0 40 DDAB CCOC(=O)CCCNS(=O)(=O)c1cccc(Cl)c1 58203091 RHMWUCUDLVKJLH-UHFFFAOYSA-N 305.783 1.962 0 40 DDAB CCn1c(=O)n(CC(=O)N[C@@H](C)[C@@H]2CCCO2)c2ccccc21 27884301 WNBZSQOEBYETHP-WFASDCNBSA-N 317.389 1.507 0 40 DDAB C[C@@]1(c2cccc(NC(=O)COCC3CC3)c2)NC(=O)NC1=O 58403171 VKFMFHGKRRMZSV-INIZCTEOSA-N 317.345 1.106 0 40 DDAB O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 104150409 KKOVEKOYDFHKKJ-MCIONIFRSA-N 317.341 1.563 0 40 DDAB COC(=O)c1nn(C)c(C2CC2)c1I 51330853 ZQRBUHZMAKYCMQ-UHFFFAOYSA-N 306.103 1.689 0 40 DDAB COCCn1nc(C(=O)N2CCc3ccccc3C2)ccc1=O 28651749 GARMHOLRYLZTCO-UHFFFAOYSA-N 313.357 1.088 0 40 DDAB COC[C@H](O)CN(C)c1ccc2nnc(-c3ccccc3)n2n1 60381310 FKPJFJNMGKHRGW-CYBMUJFWSA-N 313.361 1.235 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccccc2Cl)CC1)n1cncn1 29820932 HKKXMFZVUQVWGG-LBPRGKRZSA-N 319.796 1.841 0 40 DDAB O=C(N[C@H](CO)Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 12296858 AFPLDPXQZBWSOO-ZDUSSCGKSA-N 323.352 1.257 0 40 DDAB biogenic C[C@@H](OC(=O)C1=COCCO1)C(=O)N[C@H](C)c1ccccc1 12796378 NPHDFXNKMZAONS-VXGBXAGGSA-N 305.330 1.684 0 40 DDAB Cc1noc(C)c1COC(=O)CNC(=O)c1cccc(F)c1 3319927 GAZOPNMJMVMJQA-UHFFFAOYSA-N 306.293 1.904 0 40 DDAB Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCO3)C=C(C(=O)O)N2 102334155 MUJKNWOFNOHQFB-SNVBAGLBSA-N 300.274 1.299 0 40 DDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCO[C@@H](C)C1 48333783 FYWYWTATFKLGEA-GQVHDAKQSA-N 313.361 1.227 0 40 DDAB C[C@H](C(=O)N1CCCc2ccccc21)N1C(=O)CN(C)C1=O 12897709 SMVBOWGEOIKFQQ-LLVKDONJSA-N 301.346 1.248 0 40 DDAB CC(=O)c1sc(NC(=O)CCC(=O)N2CCCC2)nc1C 27913576 DZKMQRVOYAZCKH-UHFFFAOYSA-N 309.391 1.995 0 40 DDAB NS(=O)(=O)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1 48603542 ABTPCOBYSCNQSI-UHFFFAOYSA-N 307.356 1.299 0 40 DDAB Cc1csc(N2CCCN(C(=O)c3cnns3)CC2)n1 48927564 KPEZAGDYWDBFNF-UHFFFAOYSA-N 309.420 1.656 0 40 DDAB O=C1C[C@H](C(=O)Nc2nc(Cc3ccccc3)cs2)CN1 96009759 LDTWQJBMFPFLPX-NSHDSACASA-N 301.371 1.809 0 40 DDAB Cc1ccn(-c2ccc(N[C@H](C)c3nnc4n3CCC4)nn2)n1 97115244 FXJHANDFWXXFRR-LLVKDONJSA-N 310.365 1.682 0 40 DDAB COc1ccc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)cc1 4124038 FOOPCINPCWKWEO-CYBMUJFWSA-N 314.432 1.559 0 40 DDAB O=C(NC[C@@H]1Cc2ccccc2O1)N(CCO)CC(F)(F)F 65402517 XAMWTERCEJJDQN-NSHDSACASA-N 318.295 1.556 0 40 DDAB CCN(CC(=O)N[C@@H](C)c1ccccc1)C[C@@H](C)C(=O)OC 65564744 WWBWRFHOSSSJKS-KGLIPLIRSA-N 306.406 1.995 0 40 DDAB COc1ccc(CN2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 5396085 GHPHXMRQGOXPQZ-NEPJUHHUSA-N 312.416 1.344 0 40 DDAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(N)=O 5378079 NGIAQRXREQPWES-WJDWOHSUSA-N 323.352 1.901 0 40 DDAB CC(C)[C@H](NC(=O)Cn1[nH]c(=O)ccc1=O)c1ccccc1 65622613 QTUVDUKJUXUHOP-INIZCTEOSA-N 301.346 1.050 0 40 DDAB CC(C)[C@@H](C(=O)/N=c1\[nH]cn[nH]1)n1cnc2cc(F)c(F)cc21 65603706 IMPKPWXHOLJTKA-LBPRGKRZSA-N 320.303 1.690 0 40 DDAB C[C@H]1C[C@@H](c2ccccc2)n2nc(NS(C)(=O)=O)nc2N1 5497993 BTBPSPJYTFUGLY-ONGXEEELSA-N 307.379 1.443 0 40 DDAB Cc1cnc(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)s1 9313761 YHQUYRYQRMXCSD-UHFFFAOYSA-N 311.388 1.660 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1nccs1 4741027 NOIWXUIBKZNDOD-UHFFFAOYSA-N 306.299 1.667 0 40 DDAB O=C(Nc1ncccn1)c1ccc(C(=O)Nc2ncccn2)cc1 5605211 TXRZUZQSSGAVKM-UHFFFAOYSA-N 320.312 1.771 0 40 DDAB CC(=O)c1ccc(NC(=O)CN2C(=O)N(C)C(C)(C)C2=O)cc1 6905846 GUQXSNIMLPGPDQ-UHFFFAOYSA-N 317.345 1.500 0 40 DDAB O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)[C@H]1CCCO1 68111463 KNBPNQUGNHQAPZ-CHWSQXEVSA-N 324.377 1.845 0 40 DDAB CN(C)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 7612645 IUGURJBXSHRGDD-UHFFFAOYSA-N 314.407 1.078 0 40 DDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1cnccn1 80965366 XRFRBLHTNARSGC-SECBINFHSA-N 319.390 1.096 0 40 DDAB COC(=O)C1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1 7814204 KVJHFAHVTOOTAF-UHFFFAOYSA-N 304.346 1.670 0 40 DDAB C[C@H](O)CNC(=O)c1cc(Br)c2c(c1)OCCO2 97230538 FLGYRDYQMAHYRD-ZETCQYMHSA-N 316.151 1.331 0 40 DDAB CC[C@@](C)(NC(=O)c1ccc2c(c1)nc(C)n2C)C(=O)OC 69445104 MDIWNEGLRRDFBU-MRXNPFEDSA-N 303.362 1.953 0 40 DDAB COCCN(C)CCNC(=O)COc1ccc2ccccc2c1 69492532 DZLZRBRVEVNAOV-UHFFFAOYSA-N 316.401 1.913 0 40 DDAB CN1C[C@@H](NC(=O)c2cc(-c3cccc(Cl)c3)no2)CC1=O 69453804 NUUOMQFQDIVFEJ-NSHDSACASA-N 319.748 1.956 0 40 DDAB C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1nnnn1C1CC1 69581123 IEXAWGHDYOLWIS-STFLBKPXSA-N 319.390 1.284 0 40 DDAB OCc1ccc(CNCc2cnc(N3CCCC3)nc2)cc1F 71825348 XDGQOQDJUAMNLL-UHFFFAOYSA-N 316.380 1.998 0 40 DDAB C[C@@H](O)CN1CCC(CN(C)c2ncnc3c2CCC3)CC1 69658962 AQOJJBDTPSSLFW-CYBMUJFWSA-N 304.438 1.494 0 40 DDAB O=C(C1CCOCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69665210 QDDBOCKXPRRFDO-QGZVFWFLSA-N 318.417 1.291 0 40 DDAB CN1CCN(c2ccccc2CNC(=O)Nc2cn[nH]c2)CC1 69738702 JGHVPNPOMPCPLM-UHFFFAOYSA-N 314.393 1.483 0 40 DDAB CCc1nc(CN2CCC[C@@H](NCCn3cccn3)C2)no1 69770120 KOTICXCHVDTIEB-CYBMUJFWSA-N 304.398 1.083 0 40 DDAB O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cccnc1 69780496 PBVDZUPACBRUDY-HNNXBMFYSA-N 321.340 1.915 0 40 DDAB Cn1ccnc1CN1CCCN(C(=O)COC2CCCC2)CC1 69878299 IATLBPGDQSJMIQ-UHFFFAOYSA-N 320.437 1.414 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)CC1 71871398 FRAZKQRZYLRHCX-ZIAGYGMSSA-N 308.397 1.529 0 40 DDAB CCC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 18161738 UKQCYOWYTJMFGZ-UHFFFAOYSA-N 305.309 1.952 0 40 DDAB CCCN1CCC(N2CCN(C(=O)[C@H](C)SC)CC2)CC1 71900330 HWWPAZYFNFOLBK-AWEZNQCLSA-N 313.511 1.757 0 40 DDAB Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)N2CCNC2=O)o1 72895853 PMPQGUKPSYHDJU-AAEUAGOBSA-N 305.378 1.913 0 40 DDAB CC(C)(C)c1nc(N2CCC[C@@H]2C(=O)N2CCSCC2)no1 97059125 HLXOQNFCGVNFEB-LLVKDONJSA-N 324.450 1.911 0 40 DDAB COc1ccnc(NNC(=O)[C@H]2Cc3ccccc3S2)n1 73545993 CSVSQMFLOJHCBZ-LLVKDONJSA-N 302.359 1.645 0 40 DDAB c1ccc(-n2cnc(CN3CCC(n4ccnn4)CC3)n2)cc1 95994225 IRWSVOYVZIEPMQ-UHFFFAOYSA-N 309.377 1.696 0 40 DDAB O=C(NCCc1csc(N2CCCC2)n1)N1CCC[C@@H]1CO 74500990 BNKDNGSICXNDET-CYBMUJFWSA-N 324.450 1.452 0 40 DDAB Cc1cc(NC(=O)N2CCN(C)C[C@H]2C)n(-c2ccccn2)n1 89595879 BQKHIHPWPFYEBI-CYBMUJFWSA-N 314.393 1.744 0 40 DDAB C[C@@H]1CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C[C@@H]1N(C)C 76050689 MGFQXSNFWNLOOC-MRAWALMUSA-N 316.401 1.567 0 40 DDAB Cc1cnc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)cn1 306129984 ITFGTHMHQRHZQF-UHFFFAOYSA-N 309.329 1.898 0 40 DDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)C(=O)C[C@H](O)[C@@H]12 123376137 GHXUJRWLHYZTGE-VRPXZNCCSA-N 322.445 1.901 0 40 DDAB CCc1cccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)n1 514994038 BJGDTCHBWIMSDF-XNRPHZJLSA-N 317.389 1.200 0 40 DDAB COCc1nc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cs1 517549003 MTZQZGMCWXXHJZ-CYBMUJFWSA-N 324.450 1.668 0 40 DDAB CC(C)n1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)n1 521394754 XCEUTLWUBDGZAI-OAHLLOKOSA-N 314.345 1.941 0 40 DDAB Nn1cnc2c(c(Br)nn2C2CCCCC2)c1=O 3852605 RIDKWWIEEPIRAC-UHFFFAOYSA-N 312.171 1.575 0 40 DDAB biogenic Cn1cc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 74734168 PHMBONMYHVYWKL-GFCCVEGCSA-N 306.387 1.024 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)n1 72385952 UAAZXFDUGDPJBT-CYBMUJFWSA-N 311.451 1.984 0 40 DDAB O=C(NCCCN1CCOCC1)c1ccc(-c2ccco2)o1 72243296 RQCHGZSMDYHMEV-UHFFFAOYSA-N 304.346 1.992 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)Nc1cc(CN(C)C)n[nH]1 72258539 TWSXYPLVXWXYCO-UHFFFAOYSA-N 304.398 1.393 0 40 DDAB C[C@H](NC(=O)CN1CCOC[C@H]1C)c1ccc2c(c1)OCO2 26451458 CZLXDDABYCXTBH-NEPJUHHUSA-N 306.362 1.313 0 40 DDAB Cc1cc([C@H](N)c2ccccc2)cnc1N1CCN(C=O)CC1 72222647 DSTCREOKIDQWIA-QGZVFWFLSA-N 310.401 1.717 0 40 DDAB Cc1nc(C(=O)N(C)C)ccc1C(=O)N[C@H](CN)C1CCCC1 562980810 LBHDUSIBEIUYHI-OAHLLOKOSA-N 318.421 1.339 0 40 DDAB O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)[C@@H]1CCCO1 75415255 ONZLEGXJQCZRGN-KRWDZBQOSA-N 318.417 1.803 0 40 DDAB Cc1cc(N2CCN(C(=O)c3cscn3)CC2)nc(C)n1 72368617 DMXVOWAJXZIRMN-UHFFFAOYSA-N 303.391 1.512 0 40 DDAB CN(C)c1ncc(NC(=O)Nc2ccc3c(c2)OCCO3)cn1 75161947 PTLHBALUNHMYOZ-UHFFFAOYSA-N 315.333 1.958 0 40 DDAB COC1=C(OC)/C(=C2/C(OC)=C(OC)C=C[N+]2=O)N(O)C=C1 137694635 XBAOQFWSBDCXHG-VAWYXSNFSA-N 309.298 1.732 0 40 DDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc2cc(Cl)ccc2n1C 185508164 UUBAPPZTUAUEDB-MFKMUULPSA-N 323.780 1.335 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 44920257 SAYJXZPKFMGAKR-RDBSUJKOSA-N 324.384 1.510 0 40 DDAB CN1c2cccnc2CN(C(=O)NC2CCC2)CC[C@H]1CO 225497419 RNFRZLUPMLVSQD-ZDUSSCGKSA-N 304.394 1.347 0 40 DDAB biogenic,in-vitro O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)c1cc(Cl)ccc1Cl 85468792 RWVHXGVXFCVOIG-LPBBDHJYSA-N 304.173 1.855 0 40 DDAB CCc1nnc2sc(-c3ccc(OCC(=O)O)cc3)nn12 226298189 XLEYONNMQSVWKO-UHFFFAOYSA-N 304.331 1.879 0 40 DDAB COCCNC(=S)Nc1nc(OC)cc(C(F)(F)F)n1 225899353 UCPKNJHMNMKVHU-UHFFFAOYSA-N 310.301 1.437 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](c3noc(C(F)(F)F)n3)C2)[nH]n1 238961290 YMPQRUBXNKTGPD-SSDOTTSWSA-N 315.255 1.750 0 40 DDAB COCCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@H]2C)C1=O 96201661 SQVUODQZJACPCV-MLGOLLRUSA-N 306.362 1.237 0 40 DDAB Cn1cc(N2CC3(CCN(CC4CC4)CC3)OCC2=O)cn1 96201454 HHYWSYSOHPYJAA-UHFFFAOYSA-N 304.394 1.028 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)C2 97198978 ADQWJDJJGNBHQS-GFCCVEGCSA-N 322.368 1.778 0 40 DDAB CCN1C[C@H]2CCN(C(=O)C3CCC3)CC[C@H]2S1(=O)=O 96145541 BCXMSARGSCTJEL-CHWSQXEVSA-N 300.424 1.059 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccsc3)CC2)C1=O 96062936 KDBYQHBWORPZBG-UHFFFAOYSA-N 322.430 1.849 0 40 DDAB O=C1N[C@@H](c2cc(Cl)cc3cccnc23)N2CCOC[C@H]12 93883420 MKZQNZOURHADFH-TZMCWYRMSA-N 303.749 1.717 0 40 DDAB CN(C)C[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 96108244 HJRPGUFPOHDVGS-PBHICJAKSA-N 304.390 1.425 0 40 DDAB COCCN1CCN(CCN2CCCC2)Cc2ccc(C)nc21 96069229 ZVQPNKZMSBTNQU-UHFFFAOYSA-N 318.465 1.754 0 40 DDAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc([S@](C)=O)n2)c1 95438977 CHPIVRLUGGODIO-XUSGNXJCSA-N 309.391 1.072 0 40 DDAB C[C@@H](CNC(=O)NCC[S@@](C)=O)Oc1ccccc1F 96440353 XJZLAZCYYIVFIM-FVINQWEUSA-N 302.371 1.271 0 40 DDAB O=C(NCc1ccco1)[C@@H]1CN(C2CCC2)Cc2ccnn21 247522329 XWKRNSFCGKVPGF-HNNXBMFYSA-N 300.362 1.702 0 40 DDAB CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cnco2)n1 257293503 QPTKGGCVUIAYCL-OAHLLOKOSA-N 301.350 1.966 0 40 DDAB CN1CCN(C(=O)c2ncccc2-c2cccc(CN)c2)CC1 257332620 XYAXDSMNMDZIPK-UHFFFAOYSA-N 310.401 1.595 0 40 DDAB Cc1nccc([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 257241496 HYGAZVKNSLYYSR-CYBMUJFWSA-N 322.372 1.848 0 40 DDAB Cc1c[nH]c([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 257307706 SZXCRPGASDFKKX-AWEZNQCLSA-N 318.421 1.827 0 40 DDAB Cc1nn(C)c2nc([C@@]3(C)CCCN(S(C)(=O)=O)C3)ccc12 257283849 PADDYJMXLGOCLB-HNNXBMFYSA-N 322.434 1.590 0 40 DDAB O=C(O)C[C@H]1COCCN1C(=O)c1ccc2c(c1)CCC=C2 263482520 AWJIWYDBDJOWTM-HNNXBMFYSA-N 301.342 1.962 0 40 DDAB Cc1cccc(C2(C(=O)Nc3ncn(CC(=O)O)n3)CC2)c1 647784540 XUUWYBRSVVYBQR-UHFFFAOYSA-N 300.318 1.341 0 40 DDAB Cc1nc(NC(=S)N[C@@H]2C=CS(=O)(=O)C2)sc1C 575420806 FHKHYBPCTYQKJG-MRVPVSSYSA-N 303.434 1.357 0 40 DDAB CNC(=O)C[C@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H]1OC 585276716 HOWXGIRMGMZMES-JJGIJDNGSA-N 302.374 1.309 0 40 DDAB COc1ccc(CN2C[C@H](CC(=O)N(C)C)[C@@H](O)C2)c(F)c1 585278241 OGVCQADBJMTPFP-WFASDCNBSA-N 310.369 1.105 0 40 DDAB O=C(N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21)c1nccc2cccnc12 1551445322 FTOSZZUSFKNUOP-ZDEQEGDKSA-N 311.341 1.859 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cnccn3)CC2)cs1 31259136 NKPKDAQROUCHKR-UHFFFAOYSA-N 303.391 1.200 0 40 DDAB CN(C)C(=O)CN1CCC(NCc2ccccc2Cl)CC1 37198918 NJPDSNXJRPYBFO-UHFFFAOYSA-N 309.841 1.982 0 40 DDAB Cc1ncnc(N2CCN(c3ncnc4cc[nH]c34)CC2)c1C 1776009732 OVXOYHGCLLRNHW-UHFFFAOYSA-N 309.377 1.691 0 40 DDAB CNC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 51342518 DRMCUKSARYDVKG-CQSZACIVSA-N 317.414 1.832 0 40 DDAB CSCC[C@](C)(O)CNC(=O)[C@H]1COc2ccccc2O1 75157468 PNFAUCLKPNMVTK-HIFRSBDPSA-N 311.403 1.447 0 40 DDAB CCc1nncn1CCNC(=O)N[C@@H]1CCN(C2CCCC2)C1 76088180 VZGQUDKHCZCTCG-CYBMUJFWSA-N 320.441 1.157 0 40 DDAB CCOc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1O 574732 UWEVHFZEGGGQMS-UHFFFAOYSA-N 308.403 1.664 0 40 DDAB Cc1noc(CCCn2ccc3oc(=O)cc(C)c3c2=O)n1 1547206340 JSGNBQMFBKRTAK-UHFFFAOYSA-N 301.302 1.587 0 40 DDAB O=C(c1cccc(-n2cccn2)c1)N1CC(Cn2cncn2)C1 952986323 KYXQZFDQODZPGE-UHFFFAOYSA-N 308.345 1.236 0 40 DDAB Cn1cnc(CN2CCO[C@](CO)(Cc3ccc(F)cc3)C2)c1 1615192758 WZNHSVPNZVUCCL-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB O=c1[nH]c2ccccc2cc1CNCCCN1CCOCC1 13998950 MMOWKVBJVHFXNH-UHFFFAOYSA-N 301.390 1.340 0 40 DDAB CCn1cnnc1S[C@H](C)C(=O)Nc1ncnc2nc[nH]c12 14112012 JNQQVNWZXLZDQC-SSDOTTSWSA-N 318.366 1.084 0 40 DDAB CS(=O)(=O)N(CCCC(=O)NC1CC1)c1ccc(F)cc1 14400369 SZWYFOBGSALRDF-UHFFFAOYSA-N 314.382 1.651 0 40 DDAB CCOC(=O)C[C@@H](C(=O)OCC)c1nc2ccccc2[nH]c1=O 17060329 RDYOCMZDJUDWJE-SNVBAGLBSA-N 318.329 1.523 0 40 DDAB O=C1CC[C@@H](NC[C@H]2CCOC2)[C@H](c2cc(F)cc(F)c2)N1 19291885 ZTRSJHXFURAEJF-HQQWDMGQSA-N 310.344 1.911 0 40 DDAB Cc1nn(C)c(C)c1NCCNC[C@H](O)COc1ccccc1 3630864 CRKZWPJRHFAGCJ-HNNXBMFYSA-N 318.421 1.478 0 40 DDAB in-man O=C(c1ncccn1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220764253 ANQCPZHDUIQBKF-NSHDSACASA-N 313.361 1.832 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2cccc(OCC(C)C)c2)[C@@H]1O 643585601 UNIHHWDLYCJSQP-NXHRZFHOSA-N 323.433 1.833 0 40 DDAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CC=CCC1 245171744 XSZOILOGGVTCGU-TZMCWYRMSA-N 303.358 1.964 0 40 DDAB COc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1OC 36110499 IYOIFUXDVKLNDF-UHFFFAOYSA-N 315.391 1.287 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)no1 3319441 SZIZDRWSFNNKIY-UHFFFAOYSA-N 306.322 1.176 0 40 DDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(C)c1 5785882 RLMQSWGSAGGKFT-CQSZACIVSA-N 304.346 1.813 0 40 DDAB COCCNC(=O)c1cc(OC)c(Br)c(OC)c1 8884217 NTVGOUFLVMJCNC-UHFFFAOYSA-N 318.167 1.843 0 40 DDAB CN1C[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)COCC1=O 2037985343 GTTAYRHWJPYXJE-MRXNPFEDSA-N 322.792 1.661 0 40 DDAB C[C@@H]1CN(CCn2nccn2)CCN1Cc1cc(F)cc(F)c1 2086939577 VAIGEYHZZUNJQD-CYBMUJFWSA-N 321.375 1.763 0 40 DDAB CCOC[C@H]1CN(C(=O)CC2(O)CCC2)Cc2cn(C)nc21 1565551571 PFNLROLDXWHMCJ-CYBMUJFWSA-N 307.394 1.188 0 40 DDAB O=C(CSc1nc(O)c2c[nH]nc2n1)Nc1ccccc1F 4249589 IYFHXRQHVKGUQX-UHFFFAOYSA-N 319.321 1.928 0 40 DDAB Cc1ccc(N2C[C@H](NC(=O)NCCCN(C)C)CC2=O)cc1 5123421 BEOZHMRKVDJTGJ-CQSZACIVSA-N 318.421 1.351 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 5234529 ANWZBIIRZOJONO-UHFFFAOYSA-N 320.326 1.931 0 40 DDAB COC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 33092720 IBADBZGCOSLHSZ-AWEZNQCLSA-N 318.354 1.876 0 40 DDAB COc1cccc(CCC(=O)N[C@@H]2CCSC2=O)c1OC 20274590 IRNLFNCZWXAIJM-LLVKDONJSA-N 309.387 1.785 0 40 DDAB O=S(=O)(N[C@H]1CCN2CCCC[C@H]12)c1cc(F)ccc1F 40528207 WWAXDQRDKRYCBX-QWHCGFSZSA-N 316.373 1.870 0 40 DDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCC(C)C 40540147 JLOZCUUJYFZBHM-CQSZACIVSA-N 305.357 1.677 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101632809 MQXXAGCTJNDSQL-AVGNSLFASA-N 310.357 1.120 0 40 DDAB CC(C)Oc1ccccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 101675200 RVRUEGLXMDBXGL-NSHDSACASA-N 301.306 1.444 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)NCCc2ccccc2)C1 32826268 YDGYOMQJMALAAL-KRWDZBQOSA-N 319.449 1.885 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 42028752 QLDRACBSCDHWQX-LBPRGKRZSA-N 312.439 1.187 0 40 DDAB Cc1noc(C)c1CC(=O)NCC(=O)OCc1ccccc1 22738697 CJVKQAGYIMQRDU-UHFFFAOYSA-N 302.330 1.694 0 40 DDAB NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 54551197 GEUZTBGPWKHMRZ-GJZGRUSLSA-N 324.336 1.111 0 40 DDAB NC(=O)c1ccc(CN(C(=O)Nc2nncs2)C2CC2)cc1 43137608 RYIMDVKFLKKAJV-UHFFFAOYSA-N 317.374 1.834 0 40 DDAB O=C(C[C@@H](NC(=O)C(F)(F)F)C(=O)O)OCc1ccccc1 1642939 VGWUKEAKQLJWTF-SECBINFHSA-N 319.235 1.252 0 40 DDAB CSCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)O 1677748 LQNRCCPDNDTDSZ-NSHDSACASA-N 303.405 1.312 0 40 DDAB CCOC(=O)C(CC1CCCCC1)(NC(C)=O)C(=O)OCC 1724814 DTINKGOQNGVIQN-UHFFFAOYSA-N 313.394 1.958 0 40 DDAB NC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 3654313 MAGSCLQXYYEPGN-UHFFFAOYSA-N 300.339 1.977 0 40 DDAB COc1ccc(NC(=O)N[C@@H](C)C(=O)NCC(F)(F)F)cc1 56346366 KOPIABDWFNVSPF-QMMMGPOBSA-N 319.283 1.884 0 40 DDAB C[C@@H]1CN(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)C[C@@H](C)O1 44893143 IFVYLASPJCETFC-JHJVBQTASA-N 318.373 1.436 0 40 DDAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cn1 44867439 YPKROCOFTXOVMX-UHFFFAOYSA-N 322.342 1.898 0 40 DDAB COc1ccc(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(O)c1 58223216 TWTVTOLEIINZMU-LBPRGKRZSA-N 320.389 1.778 0 40 DDAB C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cccn2)CCO1 44967300 OXBAMVDOGCCTEL-CQSZACIVSA-N 314.389 1.862 0 40 DDAB C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)S(C)(=O)=O 44950170 XLLLKYWLAKPLOJ-GXFFZTMASA-N 315.366 1.159 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccco1 27976125 TVOSWQKWRXWPKZ-NSHDSACASA-N 313.317 1.339 0 40 DDAB CCN1C[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 46161885 YLTXHVZFCACWAK-AAEUAGOBSA-N 318.373 1.503 0 40 DDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 60126852 UZQNEIJHFZKOGJ-CQSZACIVSA-N 308.341 1.389 0 40 DDAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 2619890 ALRXGLBRIYZNQL-MRXNPFEDSA-N 303.362 1.982 0 40 DDAB CNC(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 2643387 ZTAFQECFOXGKNQ-MDZDMXLPSA-N 313.357 1.792 0 40 DDAB Cc1c(C(=O)O)sc2nc(SCC(=O)O)[nH]c(=O)c12 2705114 BHBKTZGSEHZSQI-UHFFFAOYSA-N 300.317 1.168 0 40 DDAB C[C@@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 48152175 MICLMZUBKXWSPF-NWDGAFQWSA-N 321.402 1.148 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC(C(N)=O)CC1 12790951 ZIQVMMGYXURVPH-UHFFFAOYSA-N 318.373 1.164 0 40 DDAB O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccc(O)cc1)NN2Cc1ccccc1 101099006 GOIXBCZMIORAHK-OWCLPIDISA-N 323.352 1.095 0 40 DDAB Cc1ccccc1CN1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 72300713 OVCAPQVPRJVZPO-RHSMWYFYSA-N 301.390 1.805 0 40 DDAB CNC(=O)NC(=O)CN(C)c1ccc(Br)cc1F 49000709 IBXGAZLSGQWQER-UHFFFAOYSA-N 318.146 1.480 0 40 DDAB Cc1cccnc1CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 93217225 ZFMIYQRJMFPQGF-HUUCEWRRSA-N 324.446 1.558 0 40 DDAB Oc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 13509134 GLMPLZUBQDAZEN-CVEARBPZSA-N 300.266 1.835 0 40 DDAB endogenous,in-man CCOC(=O)C1(NC(=O)c2ccc3nnc(C)n3c2)CCCC1 65475997 GIDMRVXFNOXGDG-UHFFFAOYSA-N 316.361 1.643 0 40 DDAB O=C(NCCOc1ccccc1)c1ccc2c(c1)C(=O)NC2=O 65610551 URCXOIAMBNXGDN-UHFFFAOYSA-N 310.309 1.379 0 40 DDAB COc1ccnc(N2CCN(C(=O)N3CCCCC3)CC2)n1 14139582 HZOWJHOTAREKES-UHFFFAOYSA-N 305.382 1.213 0 40 DDAB C[C@@H]1CCCN(C(=O)COc2cccc(-n3cnnn3)c2)C1 14182232 HVDDOWVPKLPSNJ-GFCCVEGCSA-N 301.350 1.300 0 40 DDAB CCN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 4504803 JWWCFOFDQIVORV-GFCCVEGCSA-N 315.366 1.240 0 40 DDAB C[C@@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F 14241752 PCHWTFSXLJZEIL-NOZJJQNGSA-N 319.279 1.646 0 40 DDAB C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(N)=O)C1 4645992 OVVWZZSKFSWVGW-SSDOTTSWSA-N 310.375 1.775 0 40 DDAB NC(=O)COc1ccc(CNC[C@H]2CCCn3ccnc32)cc1 84403219 VQLCIVRIMNSDGC-CQSZACIVSA-N 314.389 1.414 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(CCc3cccs3)C2)n[nH]1 84442216 QCWBJGPEVMCLQD-LLVKDONJSA-N 304.419 1.992 0 40 DDAB NC(=O)c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 16560055 RBRHAHZJBMBOEX-UHFFFAOYSA-N 301.327 1.712 0 40 DDAB O=C(NCc1nnc2ccccn12)c1cncn1-c1ccccc1 8136181 SLDAXMKBQYLGHL-UHFFFAOYSA-N 318.340 1.845 0 40 DDAB C[C@H](N[C@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1 71824479 NWQIIYNHVLWHHH-BBRMVZONSA-N 311.385 1.508 0 40 DDAB Cc1cnn(C[C@H]2CN(c3nc(C)cc(N(C)C)n3)CCO2)c1 69454443 VTJJXPTXUGSKLS-CQSZACIVSA-N 316.409 1.261 0 40 DDAB Cc1cnn(C[C@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1 69445576 PNMZJUYNNKVCEJ-CYBMUJFWSA-N 303.366 1.353 0 40 DDAB NC(=O)[C@H](CNC(=O)C[C@H]1C=CCC1)Cc1ccc(F)cc1 71826731 MMMFVWLJNPRIRM-JSGCOSHPSA-N 304.365 1.942 0 40 DDAB Cc1cnc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 25900038 IYCITWFAHRBFDO-SECBINFHSA-N 303.409 1.062 0 40 DDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCS(=O)(=O)C1 69634678 IAUVJDBPSQEHLM-WPRPVWTQSA-N 313.341 1.611 0 40 DDAB CC(=O)Nc1cccc(OCCNC(=O)NC[C@H]2CCOC2)c1 71803942 FUUMUEGGISDAEF-CYBMUJFWSA-N 321.377 1.360 0 40 DDAB CCOc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2CCOC)cc1 69737466 OWEDEBNTWXEUMC-UKRRQHHQSA-N 307.346 1.706 0 40 DDAB COCCO[C@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 83888785 AJVRJOHDJHCDDS-PWSUYJOCSA-N 309.366 1.662 0 40 DDAB C[C@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)O1 69879306 LWNJGHKSPIDQOE-LBPRGKRZSA-N 312.435 1.376 0 40 DDAB COc1cc(C)c(S(=O)(=O)[C@@H](C)C(=O)N(C)C)cc1OC 69885511 DOFSCDBCVPLQKV-JTQLQIEISA-N 315.391 1.263 0 40 DDAB CSc1ncc(C(=O)NCCN(C)C)n1-c1ccccc1 8746323 RIMZVSQYIXGZQB-UHFFFAOYSA-N 304.419 1.886 0 40 DDAB COc1ccc(CCn2cc(C(=O)O)ccc2=O)cc1OC 8879834 YKWJFVLGDHSNQZ-UHFFFAOYSA-N 303.314 1.806 0 40 DDAB biogenic O=C([C@@H]1CCS(=O)(=O)C1)N(CC1CCC1)CC(F)(F)F 97012454 QAOASJAGWBIJNN-SNVBAGLBSA-N 313.341 1.612 0 40 DDAB COC(=O)CN(C(=O)Cc1csc(C)n1)c1cccc(C)n1 72288154 KSTLTBQQVZVFOE-UHFFFAOYSA-N 319.386 1.904 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)c2cc(C)nn2C)c(C)nn1C 72234414 YGJNGTYQUJGKCD-LBPRGKRZSA-N 317.393 1.756 0 40 DDAB Cc1csc([C@H](C)CNC(=O)NCCc2nc(C)no2)n1 97109973 ZSWXVUYLAYIWFR-MRVPVSSYSA-N 309.395 1.788 0 40 DDAB CC1(C)CN(CCNS(=O)(=O)Cc2ccccc2)CCO1 97103201 HUWCGHNXMWEHMW-UHFFFAOYSA-N 312.435 1.217 0 40 DDAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccon1 88236639 XMAHGFRNKBYFNU-LLVKDONJSA-N 307.256 1.488 0 40 DDAB CC(C)CC[C@](C)(O)CNS(=O)(=O)c1cncc(F)c1 95972903 IHCYADSQGBPCIP-ZDUSSCGKSA-N 304.387 1.686 0 40 DDAB COc1c(CN[C@H]2CCN(c3ccccn3)C2)c(C)nn1C 95990176 JRZNESTWDPIIAO-ZDUSSCGKSA-N 301.394 1.501 0 40 DDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 95962504 RYKGGABMWJMBGU-BDAKNGLRSA-N 301.268 1.484 0 40 DDAB Cn1cc(C(=O)Nc2cccc(OCC(F)F)n2)ccc1=O 95979008 REDFHCMOIJNAER-UHFFFAOYSA-N 309.272 1.677 0 40 DDAB CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 74954985 GLHPCCFLABJRAC-SECBINFHSA-N 305.758 1.738 0 40 DDAB Cc1sc(NC(=O)[C@@H]2CNC(=O)N2)nc1-c1ccc(F)cc1 89548335 WDKHSMPOAZQWGZ-JTQLQIEISA-N 320.349 1.878 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)c1cn(Cc2ccccc2)nn1 76451583 FDWZRAASJDAOBK-UHFFFAOYSA-N 324.388 1.721 0 40 DDAB O=C1CN(NC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1 25612523 AGIJHFGGUGFEHS-UHFFFAOYSA-N 309.325 1.479 0 40 DDAB CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1 67896862 DYONXYACQPNVJL-GDBMZVCRSA-N 320.389 1.610 0 40 DDAB biogenic,in-vitro N[C@@H]1CCN(c2cccc(CNC(=O)C3(C4CC4)CC3)n2)C1 1550194219 RZTPWROGOHWSNI-CYBMUJFWSA-N 300.406 1.425 0 40 DDAB O=C(O)[C@H](c1ccc(F)cc1)N1CCC[C@@H](n2ccnn2)C1 514865791 CCKYRPLWWABLIT-KGLIPLIRSA-N 304.325 1.880 0 40 DDAB O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)c1ccc(F)cn1 530465145 SURZNTQBMKQBSA-GXTWGEPZSA-N 319.340 1.218 0 40 DDAB CCOC(=O)C1=NN(c2ccccc2OC)[C@@](C)(C(=O)O)C1 71979537 SLOVPQIBDBEZKS-OAHLLOKOSA-N 306.318 1.668 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C(=O)Cc1cccc(F)c1)C1CC1 79093946 UWRHDMWEPJESPQ-NSHDSACASA-N 313.394 1.792 0 40 DDAB CN(CCO)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391656 LXVYCOAIEUPCKM-MRXNPFEDSA-N 306.406 1.959 0 40 DDAB O[C@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1 72394705 PRGUSTUJRDFUNH-KBPBESRZSA-N 314.433 1.987 0 40 DDAB O=C(NCC1(c2ccccc2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1 78844393 OACXASXZBGFJEX-CQSZACIVSA-N 313.401 1.781 0 40 DDAB COC[C@@]1(C(=O)O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218003956 SBVVFARKJYGIJX-JQWIXIFHSA-N 304.751 1.603 0 40 DDAB CC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 35882835 SABJRAZCMVQGKK-NCOADZHNSA-N 304.342 1.610 0 40 DDAB biogenic Cc1nc(COC(=O)c2cnn(-c3ccc(F)cc3)n2)no1 78118930 DDSFMCJBOJEOND-UHFFFAOYSA-N 303.253 1.455 0 40 DDAB O=S(=O)(NCc1ccccc1)c1cnn(-c2ccccn2)c1 72239023 RLMXPGZNXVWROV-UHFFFAOYSA-N 314.370 1.746 0 40 DDAB COC(=O)c1ncn(Cc2noc(-c3ccc(OC)cc3)n2)n1 78995474 JCEGLVYWWNPQHZ-UHFFFAOYSA-N 315.289 1.172 0 40 DDAB CC(C)c1nnc(N2CCC[C@@H](NS(C)(=O)=O)C2)s1 131361996 BGEVFSDOFNPKQW-SECBINFHSA-N 304.441 1.180 0 40 DDAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cnccn1 75156943 PGDZRICNZJXJJU-UHFFFAOYSA-N 314.345 1.352 0 40 DDAB NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc2c1CCC2 195179942 HYBOZOBUSCNNPR-CYBMUJFWSA-N 301.390 1.838 0 40 DDAB CN1CCN(C(=O)CCn2ncc3c(Cl)cccc32)CC1 40759487 HZMTZYGAXYBEGZ-UHFFFAOYSA-N 306.797 1.854 0 40 DDAB COC[C@H]1CCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 87386011 KQAZNKAFKKUBRA-GJZGRUSLSA-N 310.438 1.909 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCn1nc(C)cc1C)C2 97198126 URXUCKKWSGCJCR-AWEZNQCLSA-N 301.394 1.526 0 40 DDAB C[C@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)CCO1 331926250 KQTAKVWOHXQFDN-IHRRRGAJSA-N 316.401 1.849 0 40 DDAB O=C(c1ccco1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96050837 KWPWDTNKYOVRMY-INIZCTEOSA-N 312.329 1.339 0 40 DDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCC(O[C@@H]2CCOC2)CC1 96452810 XZQGTLZDPSNGFS-CMPLNLGQSA-N 324.343 1.323 0 40 DDAB COc1ccc(S(=O)(=O)NCCN[C@@H]2CCC[C@H]2C)cc1 95410399 ALTXAXHUSIFUPW-IUODEOHRSA-N 312.435 1.752 0 40 DDAB COCCC(=O)N1CCC2(CN(Cc3cccc(F)c3)C2)C1 96202427 ZNNGQNWWZIKTHP-UHFFFAOYSA-N 306.381 1.897 0 40 DDAB C[S@@](=O)c1nncn1CC(=O)c1ccc(OC(F)F)cc1 96447761 NGYHQUHVXLIIIC-NRFANRHFSA-N 315.301 1.500 0 40 DDAB O=C(Cc1ccsc1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257276076 NSGJSAZGQFBSLD-IIAWOOMASA-N 324.446 1.021 0 40 DDAB COc1ncccc1C(=O)N1CCC2(CC1)OCCC[C@H]2OC 257290005 QBBOWPQQWAQTJY-CQSZACIVSA-N 320.389 1.890 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2nc(C)cc2C)n1 257201535 AHZSAHGQCPQCNK-ZDUSSCGKSA-N 303.366 1.132 0 40 DDAB Cc1cc(C)nc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257246920 IWNOTCOYXOMULI-OAHLLOKOSA-N 312.373 1.631 0 40 DDAB Cc1nc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@@H](O)[C@@H]2O)s1 257344118 ZVUJHILLPNFOOT-LALPHHSUSA-N 312.435 1.425 0 40 DDAB Cn1c(CN2CCO[C@@H](c3nccnc3N)C2)nc2ccccc21 257233504 GPOLEWHDQTXGDH-CQSZACIVSA-N 324.388 1.519 0 40 DDAB Cc1ccnc([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 257259464 KYNGMVQFHFQSGD-LBPRGKRZSA-N 304.375 1.358 0 40 DDAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257227985 FRWGYNQOLKUSFC-LBPRGKRZSA-N 321.406 1.282 0 40 DDAB CNC(=O)c1cccc([C@H]2CNCCN2C(=O)c2ccccn2)c1 257324482 WOVVMZUGMNCNGY-MRXNPFEDSA-N 324.384 1.228 0 40 DDAB Cc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1ccccc1 257320947 VZLATDRSPCMCRR-CYBMUJFWSA-N 307.375 1.480 0 40 DDAB COC(=O)c1sccc1S(=O)(=O)NCCc1ccoc1 96024640 IYJBXCCMKOAZJW-UHFFFAOYSA-N 315.372 1.649 0 40 DDAB CCn1cc(-c2noc(CNC(=O)Cc3ccsc3)n2)cn1 390831549 SLNGTOXLWUYLJC-UHFFFAOYSA-N 317.374 1.873 0 40 DDAB OC[C@]1(Cc2ccc(F)cc2)CN(Cc2ncc[nH]2)CCO1 585276358 NCJLQIUVGYHJGG-INIZCTEOSA-N 305.353 1.355 0 40 DDAB CCCNC(=O)CCC(=O)Nc1ccc(-n2cncn2)c(F)c1 65538077 LMUZBFDBTXRZKJ-UHFFFAOYSA-N 319.340 1.651 0 40 DDAB CC(C)c1cc(C(=O)N2CCNC(=O)CC2)nn1C(C)(C)C 71839501 OCXXKNDXPWDIFD-UHFFFAOYSA-N 306.410 1.724 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCc2csc(C)n2)c(=O)[nH]1 75111169 OWGWREKJFKDURE-UHFFFAOYSA-N 320.418 1.799 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3ccncc3)C[C@H]2C)CC1 76055279 CVZSYGROLVYZAS-PBHICJAKSA-N 302.422 1.066 0 40 DDAB COC(=O)c1cccc(OCCSc2nnnn2C2CC2)c1 58148114 RHLLVWZARCIYQM-UHFFFAOYSA-N 320.374 1.966 0 40 DDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccccc1F 79042319 YFXHWEPKSJSPGG-LLVKDONJSA-N 301.383 1.650 0 40 DDAB CC(C)(C)n1ncn(CC(=O)N2CCc3ccccc3C2)c1=O 97235168 CVGBGAYDTFAKCY-UHFFFAOYSA-N 314.389 1.385 0 40 DDAB CCN(CC)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 5794336 JCEANNGVNFLYJG-UHFFFAOYSA-N 318.826 1.974 0 40 DDAB Cc1ccc(-c2ccc(=O)n(CCCNS(C)(=O)=O)n2)cc1 11738532 QCEDGXMXTDEEIB-UHFFFAOYSA-N 321.402 1.158 0 40 DDAB O=C(CC1=Nc2ccccc2S(=O)(=O)N1)NC1CCCC1 15826760 QOYDPNCAHOYTPX-UHFFFAOYSA-N 307.375 1.457 0 40 DDAB CS(=O)(=O)c1ccc(Nc2nc(CC(N)=O)cs2)cc1 16850410 VWPAOMFSZIBUEA-UHFFFAOYSA-N 311.388 1.318 0 40 DDAB Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCCCCC3)C2)o1 19747472 FHZKDDSVMUKJAH-UHFFFAOYSA-N 305.378 1.766 0 40 DDAB CSCC[C@@H](N)C(=O)N1CCO[C@H](Cc2ccccc2)C1 158228548 DNNBRJRBDZCVKL-HUUCEWRRSA-N 308.447 1.537 0 40 DDAB CCn1c(SCC(=O)O)nnc1-c1ccc2c(c1)OCO2 35313334 GWCCQKMMASBRLF-UHFFFAOYSA-N 307.331 1.870 0 40 DDAB CSc1ccc([C@@H](O)CNC(=O)NC2CCOCC2)cc1 225558983 NOOBLHVOLAKIEC-AWEZNQCLSA-N 310.419 1.920 0 40 DDAB O=C([C@@H]1CN(c2nc3cnccc3s2)CCO1)N1CCCC1 1889114156 KEAULQZOZNUUDP-LBPRGKRZSA-N 318.402 1.519 0 40 DDAB C[C@@H]1CC(=O)N(C[C@@H](O)c2ccc(Br)cc2)C1=O 101510164 KIGUDJFLHZEKMB-LDYMZIIASA-N 312.163 1.878 0 40 DDAB O=C(CN1CSCC1=O)Nc1cccc(Br)c1 7609596 MWSSNQAURVGRQP-UHFFFAOYSA-N 315.192 1.921 0 40 DDAB COCc1cnc2n1CCN(C(=O)CC1(OC)CCC1)[C@H]2C 1565553942 HSUQBZSDEYQIKB-LBPRGKRZSA-N 307.394 1.892 0 40 DDAB O=C(NCc1cccs1)N1CCN(c2nccs2)C(=O)C1 1565523231 JQQIWILLSZHWHJ-UHFFFAOYSA-N 322.415 1.763 0 40 DDAB O=C(NCc1ccccn1)c1ccc(=O)n(Cc2ccccc2)n1 11781214 QDJBQCXNGTWRHP-UHFFFAOYSA-N 320.352 1.617 0 40 DDAB COc1ccc(N2C(=O)C[C@H](NNc3ccccc3)C2=O)cc1 100903016 XEVPXCAIPMAMQH-HNNXBMFYSA-N 311.341 1.944 0 40 DDAB CC(C)CN(C(=O)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 20968860 BWDWDBDHOJYBEA-UHFFFAOYSA-N 324.425 1.420 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CC(=O)n3cnnc3S2)cc1 552872 NZANEAPUUVIPHO-JTQLQIEISA-N 304.331 1.430 0 40 DDAB CC[C@H](C)C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53678505 SPWUPHCSBSGCSY-NSHDSACASA-N 310.419 1.790 0 40 DDAB C[C@H](CO)[C@H](C)NC(=O)NCc1cn2cc(Cl)ccc2n1 77760245 ODHBTPKXMQKKIY-ZJUUUORDSA-N 310.785 1.804 0 40 DDAB CCn1nnnc1SCC(=O)Nc1ccc(OC)cc1OC 420738 WHGYLWNHLUVLSD-UHFFFAOYSA-N 323.378 1.441 0 40 DDAB CSc1ncccc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 24959907 OKNNUAUETFRIAW-MRVPVSSYSA-N 323.374 1.337 0 40 DDAB Cc1ccc(N2N=C(C(=O)NCC3CCCC3)NCC2=O)cc1 25140303 AFECKKBVPLMKCO-UHFFFAOYSA-N 314.389 1.551 0 40 DDAB Cc1cnc(NC(=O)CN2CCN(c3ccccn3)CC2)s1 4399651 NOYHQEFAVNSJFV-UHFFFAOYSA-N 317.418 1.607 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(C(=O)NC2CC2)CC1 55914243 LZSUAXAAGVSDRY-KBPBESRZSA-N 321.465 1.767 0 40 DDAB Cc1ccsc1CNC(=O)N1CCN(c2ncccn2)CC1 26177821 LSPIZPYBOFVLNN-UHFFFAOYSA-N 317.418 1.878 0 40 DDAB O=C(c1ccoc1)N1CCC(Nc2nccn3cnnc23)CC1 72289807 NDUDITMSXBZOSZ-UHFFFAOYSA-N 312.333 1.434 0 40 DDAB C[C@@H](Nc1cccc(N2CCOC2=O)c1)C(=O)N1CCOCC1 57886552 ZINJYQHRVMXQQI-GFCCVEGCSA-N 319.361 1.302 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)o1 44818230 VZENMNBMQKNHPJ-UHFFFAOYSA-N 320.370 1.781 0 40 DDAB CCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 58392317 AHAUCEYOJAHKAH-AWEZNQCLSA-N 310.419 1.206 0 40 DDAB Cc1nc(CN(C)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cs1 84274679 UGSDXIJMBDEWLA-NSHDSACASA-N 324.450 1.992 0 40 DDAB Cc1nn(CCO)c(C)c1CN[C@H]1CCCc2c1cnn2C 97159983 CSVFIIUJLCLKMV-HNNXBMFYSA-N 303.410 1.393 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)c(C)c1 20673409 GBHFJCDIOYAGLY-JTQLQIEISA-N 319.390 1.113 0 40 DDAB CS(=O)(=O)NCCNC(=O)C1(c2ccc(Cl)cc2)CC1 29678273 JHIRDSGQJLUUQF-UHFFFAOYSA-N 316.810 1.037 0 40 DDAB CN(C)[C@H](CNC(=O)NCCc1cnn(C)c1)c1ccsc1 46346195 QEOZGHMXKSNHPL-CQSZACIVSA-N 321.450 1.626 0 40 DDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@H]1c1ccc(C)o1 12250073 JOSYEWFMRIZJBG-LBPRGKRZSA-N 321.329 1.882 0 40 DDAB Cc1ccccc1CN1CCN(c2ccc3nnnn3n2)CC1 57369341 NVXPVCVKUBSCFJ-UHFFFAOYSA-N 309.377 1.150 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(-n2cncn2)nc1)[C@@H]1CCCO1 48133274 DBAJMZVNSDYAKL-PWSUYJOCSA-N 302.338 1.351 0 40 DDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 48251762 TWXKQUJOXIIWRY-ZDUSSCGKSA-N 315.439 1.591 0 40 DDAB COC(=O)[C@@H]1[C@@H]2[C@@H]3[C@@H]4[C@@H]([C@H]1C(=O)OC)[C@]15CCCC[C@]21[C@H]3[C@H]45 104099711 DTUJSPXZJGULOB-HFEHTCTNSA-N 302.370 1.877 0 40 DDAB Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 12741926 MUCJLSBIRLFWJZ-LLVKDONJSA-N 314.382 1.744 0 40 DDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 65411485 BVMFHEBRXLYHMH-NSHDSACASA-N 301.350 1.700 0 40 DDAB COCCN1[C@H](C)CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C 95434644 COJADGMKOZRYQN-RBSFLKMASA-N 320.437 1.013 0 40 DDAB CC[C@@H](Sc1nnc(C2CC2)n1N)C(=O)Nc1cc(C)on1 14077007 RJNHAUCGYNLGKW-SECBINFHSA-N 322.394 1.675 0 40 DDAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O 65575853 XNYVNYSGLHWTOK-HNNXBMFYSA-N 316.357 1.373 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H](C(C)C)n2cncn2)c(=O)[nH]1 65552667 YEWXVCHRXAUHFZ-CYBMUJFWSA-N 303.366 1.097 0 40 DDAB COCCCNC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O 5345711 OSBXHXIXNLSPTG-UHFFFAOYSA-N 319.357 1.811 0 40 DDAB COc1ccc2cc(/C=C/C(=O)N3CCNC(=O)C3)ccc2c1 14125924 OEYCXKPXVQCUHL-XVNBXDOJSA-N 310.353 1.820 0 40 DDAB NC(=O)c1ccsc1NC(=O)CCC(=O)NC1CCCC1 14137778 OBMUYTUCHHZEBP-UHFFFAOYSA-N 309.391 1.625 0 40 DDAB CCc1ncnc(N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1F 95453309 UDTQWSPSQNOXAN-SECBINFHSA-N 318.356 1.384 0 40 DDAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 6505059 TWTVTMNKOPCAGR-UHFFFAOYSA-N 310.400 1.749 0 40 DDAB O=S1(=O)C[C@H]2N=C(S)N(c3ccc(Cl)c(F)c3)[C@H]2C1 6645635 KCTMITDFTJLJCY-ZJUUUORDSA-N 320.798 1.751 0 40 DDAB NC(=O)Cc1csc(NS(=O)(=O)/C=C/c2ccccc2)n1 66250543 UMLMYFJZOBZSOP-VOTSOKGWSA-N 323.399 1.584 0 40 DDAB COc1cccc2c1OC[C@H](NC(=O)N1CCC[C@H](CO)C1)C2 71796331 FWKJDOFGTRMMCC-GXTWGEPZSA-N 320.389 1.413 0 40 DDAB Cc1noc([C@@H]2CCCCN2CC(=O)NCc2ccco2)n1 67350333 YEMNBXMOYGOSII-ZDUSSCGKSA-N 304.350 1.814 0 40 DDAB CC(C)N1C(=O)N[C@]2(CCN([C@@H](C)c3ccncc3)C2)C1=O 84597296 LIPRNFWYMRHJPE-LRDDRELGSA-N 302.378 1.547 0 40 DDAB O=C(COn1nnc2ccc(Cl)cc21)NCc1ccco1 7779410 ITLHWSKJYCRGKV-UHFFFAOYSA-N 306.709 1.423 0 40 DDAB NC(=O)[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 71832846 ADQHWJQSFAHMGY-PBHICJAKSA-N 309.369 1.608 0 40 DDAB CCN1CCO[C@@H](C(=O)NCc2cccc(CN(C)C)c2)C1 72859656 UNZFVKGIMXUMQU-MRXNPFEDSA-N 305.422 1.085 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 95392673 CWSSDGRLEYZUSZ-HUUCEWRRSA-N 301.390 1.512 0 40 DDAB O=C1[C@H]2CCCN2C(=O)N1C[C@H](O)COCc1cccs1 71877699 GJKFZDBUXPYTDD-CMPLNLGQSA-N 310.375 1.052 0 40 DDAB CCC(=O)N1CCCN(S(=O)(=O)Cc2ccccc2C)CC1 70039670 JQXFNOHOOKZZOB-UHFFFAOYSA-N 324.446 1.769 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)NCC[S@](C)=O 95398056 HFPXPQSWNYUHDF-APBUJDDRSA-N 302.827 1.949 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cnn(C(C)(C)C)c1)C2 69486245 YAUUUXLVJJVVQI-UHFFFAOYSA-N 302.382 1.448 0 40 DDAB COc1ccc(CN2C[C@H](C(=O)Nc3cc[nH]n3)CC2=O)cc1 69462914 IYSRQMLBUGZPRE-GFCCVEGCSA-N 314.345 1.406 0 40 DDAB CNC(=O)COc1ccccc1CN[C@@H](C)Cn1cc(C)cn1 69463016 YUCNOSCUKXTBPG-AWEZNQCLSA-N 316.405 1.495 0 40 DDAB COc1ccc(OC)c([C@H](O)CNc2ncnc3[nH]cnc23)c1 71952754 RRCYZVWWVTZHEZ-LLVKDONJSA-N 315.333 1.516 0 40 DDAB C[C@@H](NC(=O)NCc1ccncc1)C(=O)N1CCCC[C@H]1C 69812338 UVELBLCSSQODNX-CHWSQXEVSA-N 304.394 1.670 0 40 DDAB Cc1nc2ccccc2nc1CN1CCO[C@@H](Cn2cncn2)C1 69876955 YCFWIPVNDDOMQD-CQSZACIVSA-N 324.388 1.431 0 40 DDAB CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H](N2CCCC2)C1 69893964 QFYUBISULHGZJD-CQSZACIVSA-N 309.454 1.626 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69902570 YWNKKJHQLAFLAQ-GFCCVEGCSA-N 302.378 1.092 0 40 DDAB CCN(CC)Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)o1 69952202 QJTLNPYCYVCXHE-CQSZACIVSA-N 323.437 1.260 0 40 DDAB O=C1CN(C(=O)c2ccc(Cl)cc2O)[C@H]2CCCC[C@H]2N1 92600537 FATMEIQIPNGORR-NEPJUHHUSA-N 308.765 1.929 0 40 DDAB CC(C)[C@@H](C)[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 95417861 ULFROPSOBNCEMA-QRQYBIJMSA-N 316.467 1.297 0 40 DDAB COC(=O)c1cccc(OC[C@H](O)CNCc2ccco2)c1 9863764 QBBULHWBPJODLY-CYBMUJFWSA-N 305.330 1.596 0 40 DDAB CC[C@H]1CN(C(=O)c2ccc(O)cc2O)CCN1CC(F)F 97079760 FLMPWYVFPVGRAE-JTQLQIEISA-N 314.332 1.899 0 40 DDAB CCn1nc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1C 72269444 ABOJEAYMJLWFNC-CABCVRRESA-N 320.437 1.191 0 40 DDAB CCCN(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 72270387 QXFMVVJXZPXIOU-HNNXBMFYSA-N 303.406 1.246 0 40 DDAB CN(Cc1ncnn1C)C(=O)NCCOc1ccc(Cl)cc1 73525393 JKSSFGGCOKYGAU-UHFFFAOYSA-N 323.784 1.689 0 40 DDAB CC(C)[C@@H](O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 95977357 OWDXESXBUSXBOF-CVEARBPZSA-N 318.417 1.701 0 40 DDAB CCc1cc(N2CCCC[C@H]2CC(=O)OC)n2ncnc2n1 89282819 SFERDLPYJUYFQE-LBPRGKRZSA-N 303.366 1.609 0 40 DDAB CC(=O)c1cn(Cc2cc(C)nc3ccccc23)c(=O)n(C)c1=O 89583012 BYSMNQFLRGHWLF-UHFFFAOYSA-N 323.352 1.655 0 40 DDAB COC(=O)c1sccc1NC(=O)CSC[C@@H](C)CO 75148453 UNXSMCUFQJQLKQ-QMMMGPOBSA-N 303.405 1.835 0 40 DDAB O=C(C[C@]1(O)CCCNC1)Nc1c[nH]nc1-c1ccccc1 1548557215 KXKNNKGPTWXRLT-MRXNPFEDSA-N 300.362 1.520 0 40 DDAB CC(C)(C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20112451 XFPCVCIBLSQCNZ-LBPRGKRZSA-N 312.391 1.128 0 40 DDAB Cc1cncc(-c2nc(CN3CC[S@@](=O)CC3(C)C)no2)c1 556235139 GGNUBMLHNMTHJL-JOCHJYFZSA-N 320.418 1.783 0 40 DDAB COc1ccc(S(=O)(=O)Nc2nccs2)c(OC)c1 28248618 UGBFDMFWXAMZAF-UHFFFAOYSA-N 300.361 1.961 0 40 DDAB CC(C)OC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1 409187149 MTDBHQLACWMEAJ-KPKJPENVSA-N 304.302 1.197 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306138112 RPMKJFRVUSILPH-GFCCVEGCSA-N 308.403 1.441 0 40 DDAB COc1cccc([C@H](CC(=O)O)NC(=O)c2ncoc2C)c1 539572692 AQXXEIJDUCONNH-LBPRGKRZSA-N 304.302 1.937 0 40 DDAB COC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1 185416380 LZSDMUZUXGHTRX-UHFFFAOYSA-N 306.362 1.839 0 40 DDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(N)CO)cc1 218050645 JXBFZNILVDCIJW-ULQDDVLXSA-N 317.410 1.625 0 40 DDAB Oc1n[nH]c([C@@H]2CCCCN2Cc2cn(CC3CC3)nn2)n1 565580288 QYXCSTZCJGVWSU-LBPRGKRZSA-N 303.370 1.239 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)CCSC)cc1 75157464 SCRIVUAMGBNKIY-HNNXBMFYSA-N 311.403 1.707 0 40 DDAB Cc1csc2ncnc(N3C[C@H](C)N(CCO)[C@H](C)C3)c12 569688533 TVTMNGWVGZDYIT-TXEJJXNPSA-N 306.435 1.891 0 40 DDAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCS(=O)CC1 80033931 SYKVQFCNMSBXDE-MJBXVCDLSA-N 301.452 1.951 0 40 DDAB Cc1ccc(=O)n([C@@H](C)C(=O)NCCOc2ccccc2)n1 44395230 IKFQZRQNZBNRSS-ZDUSSCGKSA-N 301.346 1.308 0 40 DDAB O=C(Cn1cnnn1)N1CC(OCc2cccc3ccccc23)C1 80941644 UNBVINOKYDVYKU-UHFFFAOYSA-N 323.356 1.254 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCC(=O)N(C)C1CC1 63963637 RPTIZLXUEZGPII-UHFFFAOYSA-N 314.341 1.823 0 40 DDAB O=C(COc1ccc2ccccc2c1)N[C@H]1C[C@@H](O)[C@@H](CO)C1 85468897 LAAVOIIZVVFMLN-BFYDXBDKSA-N 315.369 1.467 0 40 DDAB O=C(NC[C@]1(OCCO)CCOC1)C1(c2ccc(F)cc2)CC1 617714732 OORPIQHUBXMCQJ-MRXNPFEDSA-N 323.364 1.142 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2C(=O)NC2CC2)N1CCN1CCCC1 96064690 HOLICLZADKWHEP-GJZGRUSLSA-N 320.437 1.020 0 40 DDAB Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3CCc2ccccc2)cn1 96184175 BLYHIBRVDMMSDB-SJORKVTESA-N 310.401 1.842 0 40 DDAB CC1=NC2(CCC(C(=O)Nc3nccs3)CC2)C(=O)N1C 96087489 WUBGTJJBCOPFBI-UHFFFAOYSA-N 306.391 1.901 0 40 DDAB CC(C)CNC(=O)C1=NO[C@]2(CCN(C(=O)c3ccco3)C2)C1 96225452 QBHIQDAMDSIISZ-MRXNPFEDSA-N 319.361 1.413 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCc2ccccc21 97236388 ZCAZJMDIMLYCLX-BLLLJJGKSA-N 313.401 1.984 0 40 DDAB CNC(=O)Cc1noc(CN2CCc3ccc(F)cc3[C@@H]2C)n1 96455307 GMDKDKRDLORENZ-JTQLQIEISA-N 318.352 1.617 0 40 DDAB CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@]3(CC=CCC3)C2)C1 230081623 MSANXAXMBVGQFO-FUHWJXTLSA-N 320.481 1.764 0 40 DDAB N[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1ccccc1F 333334439 WUNOMJNELOQFGL-DZGCQCFKSA-N 314.364 1.535 0 40 DDAB O=C(NCc1ccc2c(c1)CCC2)NC[C@]1(O)CCSC1 96447305 KOPYVFOAUSRVIY-MRXNPFEDSA-N 306.431 1.843 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)CCc1ccccc1 97375770 GACLDYAMRBHNQM-LSDHHAIUSA-N 302.374 1.797 0 40 DDAB Cc1ccc(O)c(CN2CCN(Cc3nc(C)no3)CC2)n1 96489596 CJWPLQAJXAUNRM-UHFFFAOYSA-N 303.366 1.105 0 40 DDAB c1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CN3CCOCC3)C2)cs1 96056210 VVDSAROEZQYYQN-ZACQAIPSSA-N 322.474 1.917 0 40 DDAB c1cn(C[C@@H]2CO[C@]3(COCCN(Cc4ccoc4)C3)C2)cn1 96052058 XSEIVZXKEXULGO-IAGOWNOFSA-N 317.389 1.784 0 40 DDAB O=C(c1ccno1)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 96218988 GBANGNWSVUWOKK-CJNGLKHVSA-N 314.345 1.555 0 40 DDAB CS(=O)(=O)CCn1ccc(NC(=O)C2CCCCCC2)n1 96420587 TZKKGMKUXNKLJS-UHFFFAOYSA-N 313.423 1.837 0 40 DDAB Cn1cc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)cn1 96158240 CKQWEKBNLQTDOD-KRWDZBQOSA-N 312.421 1.703 0 40 DDAB CN(C)C(=O)NC[C@H]1CC12CCN(C(=O)c1ccno1)CC2 96238301 HBDKOJNUKBJGSM-LLVKDONJSA-N 306.366 1.188 0 40 DDAB O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1CCN1CCCC1 96245052 BMQWVXWNWJYIKP-HOTGVXAUSA-N 303.406 1.266 0 40 DDAB C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21)n1cccc1 524730074 UTHRNGZAIOAHSM-FZKCQIBNSA-N 315.417 1.909 0 40 DDAB biogenic CC(=O)N[C@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 257342962 ZQTVZVUXPSOLGN-INIZCTEOSA-N 316.401 1.977 0 40 DDAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2cccc(N)n2)C1 257256803 KMZPTLOKYISSNP-ZDUSSCGKSA-N 316.361 1.736 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)c1 257271051 MWPBXXIFBQZSGX-CQSZACIVSA-N 324.388 1.869 0 40 DDAB Cc1nccc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257299834 RRTXQYFDRQPMCY-AWEZNQCLSA-N 318.402 1.693 0 40 DDAB CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2ccnn2C)nc1 257298589 RMJUPBRMCMQIJU-OAHLLOKOSA-N 313.405 1.854 0 40 DDAB Cc1n[nH]cc1CN1CCO[C@H](c2nccnc2N(C)C)C1 257273561 NHCXAMPVXSAOSO-ZDUSSCGKSA-N 302.382 1.148 0 40 DDAB Cc1ccnn1CCC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257275197 NOIDSCLXDNZGNQ-IIAWOOMASA-N 317.393 1.001 0 40 DDAB COCCNC(=O)[C@H](C)n1cc(COc2ccccc2)nn1 257173876 ZUDBNNPFRXXIQB-LBPRGKRZSA-N 304.350 1.181 0 40 DDAB CN(CC(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1)C1CCCC1 257254592 KDUKUPDFASXCLC-GOEBONIOSA-N 321.465 1.720 0 40 DDAB CC(=O)N1CCO[C@](C)(C(=O)N2CCC3(CCCCC3)C2)C1 257315932 VDJDDJHJPZKALI-INIZCTEOSA-N 308.422 1.807 0 40 DDAB Cc1cc(-c2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)[nH]n1 257257979 KRWNUUCYRBZGJT-CQSZACIVSA-N 321.406 1.580 0 40 DDAB O=C(c1cnccn1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257306993 SWUWQIPDPOOQLM-CYBMUJFWSA-N 324.344 1.592 0 40 DDAB O=C(O)c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)cn1 263571204 JCAWLYWKZRMPTI-CQSZACIVSA-N 304.346 1.811 0 40 DDAB O=C(Cn1cccc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104357 MVWWHABIOCDVBQ-UHFFFAOYSA-N 310.419 1.446 0 40 DDAB O=C(COc1ccc(F)cc1)N1Cc2ccnn2CC[C@@H]1CO 585098635 ZVNUNORDPZEQEL-CQSZACIVSA-N 319.336 1.194 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NCc2ccccc2Cl)[C@@H]1O 585280844 PWBFRPPJLWLWSJ-YUELXQCFSA-N 324.808 1.574 0 40 DDAB Cc1cnc(OC2CCN(C[C@@H]3CC(=O)N(C)C3)CC2)nc1 1776001569 KHPZUSRHGAZJFB-CYBMUJFWSA-N 304.394 1.107 0 40 DDAB COc1cc(N2CCN(Cc3cc(C)no3)CC2=O)ccn1 1776008711 NFUUIEJEEBKKRD-UHFFFAOYSA-N 302.334 1.235 0 40 DDAB COC[C@@H](C)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 48236980 SPDOXNCWZNGACT-CYBMUJFWSA-N 317.393 1.503 0 40 DDAB NC(=O)[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1 46187409 LBXCNWGZHOIBRV-OAHLLOKOSA-N 321.340 1.224 0 40 DDAB COCC(=O)N(CC(N)=O)Cc1ccc(-c2ccccc2)cc1 54257009 HLHXDBOCPXCAIN-UHFFFAOYSA-N 312.369 1.814 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCCCC2)C1 51406167 KUDDBYRICSVERS-GFCCVEGCSA-N 317.455 1.290 0 40 DDAB CCCn1nc(C(=O)NC[C@H](C)CN2CCCC2)ccc1=O 55538439 XVYNFEHJVFCOQN-ZDUSSCGKSA-N 306.410 1.115 0 40 DDAB Cc1cccc(C2(C(=O)N3CCC[C@@H](CNC(N)=O)C3)CC2)c1 56010870 JJUHSLYOSXDEIK-AWEZNQCLSA-N 315.417 1.934 0 40 DDAB COc1cc(CNC2CC2)ccc1OCC(=O)N1CCCC1 60815308 FHTJWNUFHHOCEI-UHFFFAOYSA-N 304.390 1.948 0 40 DDAB CN(CCc1ccc2c(c1)CCO2)C[C@@H]1CCS(=O)(=O)C1 76089437 LBGIRXPZQHGXAX-AWEZNQCLSA-N 309.431 1.531 0 40 DDAB CCSc1ccc(C(=O)NCCN(C)CCCOC)cn1 76022926 STQYUROHDBCLEH-UHFFFAOYSA-N 311.451 1.892 0 40 DDAB Cc1cnc(OC2CCN(C(=O)c3cnc(C)cn3)CC2)nc1 655258580 FOHZGXNALDJGKC-UHFFFAOYSA-N 313.361 1.567 0 40 DDAB O=C(O)[C@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCOC1 85856078 GOMHDSJKOGWCKR-NSHDSACASA-N 323.729 1.001 0 40 DDAB COc1c2c(cc3c1[C@@H](c1c(O)n[nH]c1C)N(C)CC3)OCO2 19690917 QVZFGTHUKWHQED-CYBMUJFWSA-N 317.345 1.738 0 40 DDAB CC[C@@H](O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O 156724526 URBMSLPRAUGIIY-ZWNOBZJWSA-N 316.279 1.767 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 102863614 FWRFDILAQMFPGV-UONOGXRCSA-N 302.374 1.632 0 40 DDAB CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCCO3)n2)cn1 244998759 KSMRDKNYYBOUJZ-LLVKDONJSA-N 318.333 1.326 0 40 DDAB CN1CCCC[C@@]2(CN(Cc3ccc(Cl)cn3)CCO2)C1=O 2037984121 REISTCMMDJMMTB-MRXNPFEDSA-N 323.824 1.948 0 40 DDAB COCCN1CC2(CCN(C(=O)C3CC(F)C3)CC2)CC1=O 1565547770 XGEUPQJKIBDDBY-UHFFFAOYSA-N 312.385 1.222 0 40 DDAB COc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C)cc1OC 9184560 RFJXNCCMGSBKJI-UHFFFAOYSA-N 313.313 1.306 0 40 DDAB COc1ccc(Br)cc1[C@H](NC(N)=O)C(=O)O 96102791 HDBGEKSXHBGQNQ-QMMMGPOBSA-N 303.112 1.252 0 40 DDAB CCCOc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40467456 LHDXETIMAYXIOE-CYBMUJFWSA-N 311.403 1.735 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COc1ccccc1 40496398 LUFMSWLXWDSTDJ-LLVKDONJSA-N 302.286 1.536 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)CCOCC(C)C)c1 31761461 NTWVTBUAQXPMHM-UHFFFAOYSA-N 303.366 1.972 0 40 DDAB CNC[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 40597448 YPVSQPDWDPLKDV-VIFPVBQESA-N 322.352 1.724 0 40 DDAB O=C(COCC(F)(F)F)Nc1ccc(-n2cccn2)nc1 40548503 LIGKYMWGAFGXMZ-UHFFFAOYSA-N 300.240 1.785 0 40 DDAB CCc1cc(NCCN2CCCCCC2=O)n2ncnc2n1 52128165 IGJAHRQWXWWTSE-UHFFFAOYSA-N 302.382 1.501 0 40 DDAB CCOC(=O)NCCC(=O)Nc1cccc(-n2cccn2)c1 53042244 IRBRZBYMSCIDGO-UHFFFAOYSA-N 302.334 1.947 0 40 DDAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(Cc2ccccc2)C1 22263180 HUTVSWUZZTWNDW-ZDUSSCGKSA-N 311.341 1.774 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCO[C@H]2CCC[C@H]21 53381178 WIHVNNLCCUFOFN-CABCVRRESA-N 312.373 1.969 0 40 DDAB COc1ccccc1N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 53506889 JRHLFICYABTLCL-AWEZNQCLSA-N 319.405 1.706 0 40 DDAB COC1CCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)CC1 53886221 MGDSVLJYUJMTBP-UHFFFAOYSA-N 321.402 1.554 0 40 DDAB Cc1nc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)cs1 72279627 RSJUCEGADHSFON-AWEZNQCLSA-N 309.435 1.665 0 40 DDAB C[C@H](Cc1ccc(O)cc1)NC(=O)NCCCN1CCCC1=O 55083699 KYKBLVIZTBGXMJ-CYBMUJFWSA-N 319.405 1.635 0 40 DDAB CN1C[C@@H](C(=O)NCCCOCCc2ccccc2)CC1=O 55784120 OUVHJMIAOZWPHT-HNNXBMFYSA-N 304.390 1.230 0 40 DDAB Cc1ccc(/C=C/CC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 84754581 VNTXUHXZGGVRAF-BWPKMQGJSA-N 316.401 1.762 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(C)c1 6953122 OCBSHZTUYTVKHK-OAHLLOKOSA-N 303.406 1.842 0 40 DDAB COc1ccc(CN2C[C@@H](C(=O)NCC(C)C)CC2=O)cc1 34916639 JSHLJKXPCXBOSB-AWEZNQCLSA-N 304.390 1.816 0 40 DDAB COCCNC(=O)CN(C)Cc1coc(-c2ccc(C)cc2)n1 43607330 OSSMFRORKSSRHE-UHFFFAOYSA-N 317.389 1.844 0 40 DDAB CN(Cc1ccncc1)S(=O)(=O)c1ncn(C)c1Cl 35216184 YTHHPCLBEOCMFM-UHFFFAOYSA-N 300.771 1.289 0 40 DDAB CN1CC[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)CC1=O 44330938 NFGQOQFUGLXOFO-CYBMUJFWSA-N 321.446 1.261 0 40 DDAB COC(=O)CN(C(=O)Cn1cc(C)cn1)c1cccc(F)c1 84265080 BUOBTNSEJPWCNU-UHFFFAOYSA-N 305.309 1.537 0 40 DDAB CC(=O)NCCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 44892522 NLWZKJUYPMLXQB-CQSZACIVSA-N 322.409 1.242 0 40 DDAB Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)s1 58209719 SRZBRERBUSAURF-CQSZACIVSA-N 302.399 1.812 0 40 DDAB COc1ccc2oc(C)c(C(=O)NCCC(=O)N(C)C)c2c1 58216088 IEAMXVWBSKDLHB-UHFFFAOYSA-N 304.346 1.958 0 40 DDAB CCNC(=O)C1(NC(=O)Cc2c(C)nn(C)c2C)CCCCC1 58214349 NBIHZVUWSYOSSS-UHFFFAOYSA-N 320.437 1.535 0 40 DDAB CC(=O)Nc1nc(C(=O)N(C)CC(=O)OC(C)(C)C)cs1 58264590 RUIVILURXLZQJX-UHFFFAOYSA-N 313.379 1.515 0 40 DDAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)[C@H]1CCCO1 27866896 FAPKKUSVCSPLLF-DGCLKSJQSA-N 320.414 1.809 0 40 DDAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1nncs1 2184320 LTTWBRZUSVGKBH-UHFFFAOYSA-N 320.359 1.714 0 40 DDAB CCNC(=O)c1cccc(CNCc2c(C)nn(C)c2OC)c1 58407407 MVKFSKMLBBTQSD-UHFFFAOYSA-N 316.405 1.777 0 40 DDAB Cn1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)ccc1=O 84314440 JOHFHLGOYPJYMS-LBPRGKRZSA-N 314.345 1.623 0 40 DDAB Cc1n[nH]c2ncc(NC(=O)C(=O)NCc3ccsc3)cc12 95461289 AXGCVBIPYIMZEM-UHFFFAOYSA-N 315.358 1.583 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)c(OC)c1 12391471 UKKGBJFBCUKJCG-LBPRGKRZSA-N 316.317 1.587 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)c1csc(Br)c1 37499247 NDNVOOPABSLPFU-UHFFFAOYSA-N 317.208 1.861 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](C(N)=O)C1 12695257 JFODEFDMHSSXRX-VXGBXAGGSA-N 305.378 1.220 0 40 DDAB CC(=O)c1ccc(C(=O)NCCCCN2CCOCC2)s1 48237335 SOTBLVVFJFBZIS-UHFFFAOYSA-N 310.419 1.793 0 40 DDAB CCC[C@@H]1NC(=O)N(CC(=O)N(C)Cc2cccc(F)c2)C1=O 12733843 KPRLOHABXORHNN-ZDUSSCGKSA-N 321.352 1.505 0 40 DDAB O=C1OCC[C@@H]1Sc1nnc([C@H]2COc3ccccc3O2)o1 48342905 RQOPAYWTRUORDR-MNOVXSKESA-N 320.326 1.990 0 40 DDAB CC(=O)Nc1nc(Cn2c(-c3ccccc3)noc2=O)cs1 48368247 LYYCIMSULFHYFB-UHFFFAOYSA-N 316.342 1.967 0 40 DDAB COc1ccc(NC(=O)[C@H](C)Sc2ncn[nH]2)cc1OC 12924755 MRUBWBBXWWEOQA-QMMMGPOBSA-N 308.363 1.941 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)CC2CCCC2)cc1 9721201 NDIOSVMDVOGSNX-UHFFFAOYSA-N 310.419 1.672 0 40 DDAB COc1ccc(Cc2c(OC)nc3n(c2=O)CCS3)cc1 13629101 BLSYBUKIIITOLH-UHFFFAOYSA-N 304.371 1.957 0 40 DDAB COC(=O)[C@@H](CCSC)NC(=O)N1C[C@@H](C)O[C@H](C)C1 5350814 RIPFHZJOAGUVJT-GMTAPVOTSA-N 304.412 1.100 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NC1CCCCC1 14140193 UVHLIUJAGXMGFY-MRXNPFEDSA-N 315.417 1.348 0 40 DDAB Cc1ccc2oc(=O)n(CCC(=O)N3CCC[C@@H](N)CC3)c2c1 72159221 IXKCWECKBSGAAF-CYBMUJFWSA-N 317.389 1.633 0 40 DDAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C 4505398 ZUUAVNHGRUUFQH-GFCCVEGCSA-N 317.432 1.111 0 40 DDAB O=C(O)COCC(=O)N1CCN(c2cccc(Cl)c2)CC1 4675431 USEQJWCNXSQSOQ-UHFFFAOYSA-N 312.753 1.090 0 40 DDAB CC1CCC(N2CCC(N(C)S(=O)(=O)N(C)C)CC2)CC1 66103383 JJHUENHHUOTOHC-UHFFFAOYSA-N 317.499 1.768 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@H]2C1 6673689 FNZMJXUBTZZSMS-NXEZZACHSA-N 320.798 1.339 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 66771835 SSPORSOMYPQLCD-ZYHUDNBSSA-N 319.361 1.178 0 40 DDAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(F)c1 67143125 FGSBLPCQFZXYEY-QWHCGFSZSA-N 300.337 1.783 0 40 DDAB CC(C)(CO)NC[C@H](O)COCC12CC3CC(CC(C3)C1)C2 27666054 BZVPYRJCQILYSM-KUNBBXKYSA-N 311.466 1.941 0 40 DDAB CN(C)Cc1cc(CC2(NCc3ccncc3)COC2)no1 67897813 KKXBMXMUEAUTQJ-UHFFFAOYSA-N 302.378 1.233 0 40 DDAB biogenic,in-vitro CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 16090541 VRPHXCLXIFDFCV-UHFFFAOYSA-N 320.436 1.015 0 40 DDAB CN(Cc1cn(C)nc1C(C)(C)C)CC(C)(C)S(C)(=O)=O 97033982 ISQJEHAHKNBUTN-UHFFFAOYSA-N 315.483 1.973 0 40 DDAB CC(=O)N1CCCN(Cc2nc(-c3ccsc3)no2)CC1 16444026 FXYFOGXNWYZCBN-UHFFFAOYSA-N 306.391 1.852 0 40 DDAB COc1cc(CNC(=O)CC(F)(F)F)ccc1OCC(N)=O 71815178 SXPCWFOJHSGNQN-UHFFFAOYSA-N 320.267 1.128 0 40 DDAB CCOC(=O)Nc1ccc2c(CNC[C@H](C)O)cc(=O)oc2c1 8038970 LKTFXEMTMMCIDF-JTQLQIEISA-N 320.345 1.832 0 40 DDAB CCO[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 71827143 YDJLJPFTKHRQKX-GFCCVEGCSA-N 303.362 1.357 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)Cn1ccnc1 71803157 LQDINTZJFKDQAO-LBPRGKRZSA-N 309.414 1.218 0 40 DDAB CCCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 8128585 JABGTXMJGXWZGY-HNNXBMFYSA-N 305.334 1.294 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@H]2CCCC[C@H]21 71808782 UJLWYWXQSQJRLU-KGLIPLIRSA-N 313.357 1.707 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 81864883 DEUSFINPHJYEFB-XHSDSOJGSA-N 307.365 1.833 0 40 DDAB CN(CC(=O)Nc1nc2ccc(F)cc2s1)CC(=O)N(C)C 69325260 GOKYCYVSRQPIIA-UHFFFAOYSA-N 324.381 1.394 0 40 DDAB OC[C@@H]1CCCN(c2cc(NCC3(O)CCCCC3)ncn2)C1 91477644 MZHQSDMMZNACKZ-CQSZACIVSA-N 320.437 1.792 0 40 DDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)ccc2F)C1 97051746 ZGFWHHMOBKMKOD-LBPRGKRZSA-N 320.817 1.993 0 40 DDAB COC(=O)Cc1nnn(Cc2nc(-c3ccsc3)oc2C)n1 69456475 WSZYXUVRSAJHLA-UHFFFAOYSA-N 319.346 1.462 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cc(C)no1)c1cc(F)ccc1F 69530493 XIVRHUMZNBPNDC-LBPRGKRZSA-N 310.256 1.905 0 40 DDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCCn1cncn1 69565110 SRDPJNYOTHKIPG-ZDUSSCGKSA-N 321.425 1.260 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 69778693 IEWWTLFMVSZAPS-DZGCQCFKSA-N 316.405 1.366 0 40 DDAB O=C([C@H]1C[C@H]1c1cccnc1)N1CCCN(c2cccnn2)CC1 69976871 AEQWKZZPEYWBFD-HOTGVXAUSA-N 323.400 1.714 0 40 DDAB COc1ccccc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 83976206 VZVCRMQYPNSMHO-ZDUSSCGKSA-N 312.373 1.884 0 40 DDAB C[C@@H](C(=O)N[C@H](C)C(=O)NC(C)(C)C)N(C)Cc1ccccc1 72289315 PYZDCCIKEZKWEK-KGLIPLIRSA-N 319.449 1.926 0 40 DDAB CCc1nnc2n1C[C@@H](CNc1ncnc3c1cnn3C)CC2 72276450 KJTOLFBMPRLPLK-SNVBAGLBSA-N 312.381 1.192 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(CCc3ccccn3)C2)no1 95402243 BQBZDQJFLVYTAF-HNNXBMFYSA-N 301.394 1.522 0 40 DDAB O=C(NCCNc1ncc(Cl)cn1)c1n[nH]c2ccccc12 95406795 AQXAYSBVSFYDMF-UHFFFAOYSA-N 316.752 1.848 0 40 DDAB COC(=O)c1cc(Cn2nc3ccccn3c2=O)c(C)s1 95410594 QMUXBKMCRRXNCP-UHFFFAOYSA-N 303.343 1.701 0 40 DDAB Cn1cc(S(=O)(=O)N[C@H]2CCCc3cc(F)ccc32)cn1 95980889 LEIPUPJUKHATOM-AWEZNQCLSA-N 309.366 1.915 0 40 DDAB COC(=O)c1ccc(NCCNC(=O)c2cccnc2)nc1C 89536993 ARNAIUWNEUZFJH-UHFFFAOYSA-N 314.345 1.414 0 40 DDAB Cn1nccc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75123213 HCGMEMWGLBLEAM-UHFFFAOYSA-N 315.255 1.449 0 40 DDAB CNC(=O)Cc1noc([C@@H]2CCCN2Cc2ccccc2)n1 89647403 OXFGMYMTSLZTOB-ZDUSSCGKSA-N 300.362 1.695 0 40 DDAB Cn1cc(N2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2=O)cn1 89755874 DPBKBYMJELGRFZ-CYBMUJFWSA-N 317.393 1.135 0 40 DDAB CC(C)S[C@@H](C)C(=O)Nc1cccc(C(=O)NCC(=O)O)c1 89890994 HJJSTKPGZZNPJP-JTQLQIEISA-N 324.402 1.970 0 40 DDAB COc1ccc(C(=O)N2CCO[C@]3(CCCN(C)C3)C2)cc1 63527665 JEAHMKFDJLFPBD-KRWDZBQOSA-N 304.390 1.632 0 40 DDAB Cc1noc([C@@H](C)N2CCC(NC(=O)c3cn[nH]c3)CC2)n1 1002371718 OTPDQHURUHKXDV-SECBINFHSA-N 304.354 1.057 0 40 DDAB CCC(C)(C)NC(=O)CSc1nnnn1C[C@@H]1CCCO1 30347096 HNYIZLGXNHDLAY-JTQLQIEISA-N 313.427 1.249 0 40 DDAB CC(C)(O)[C@@H]1CCCN1C(=O)N[C@H]1COc2ccccc2C1 185518037 QJORCYHIHYRCNP-HIFRSBDPSA-N 304.390 1.935 0 40 DDAB C[C@@H]1Oc2ccc(S(=O)(=O)NCc3ccco3)cc2NC1=O 71542748 KXNGXNXYGMRVNI-VIFPVBQESA-N 322.342 1.478 0 40 DDAB CCNc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O 217714651 WELSNUCCEHNFDJ-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 73119436 BZNBCVSOXSWGOZ-SNVBAGLBSA-N 322.434 1.469 0 40 DDAB Cc1nc(NCCn2nccc2C)cc([C@H]2CNCCO2)n1 72387878 DHQSHMTVVYUZBD-CQSZACIVSA-N 302.382 1.063 0 40 DDAB C[C@H]1CCc2nn(CCNC(=O)c3ccco3)c(=O)cc2C1 72342273 LGGOHUWZTZDHCF-NSHDSACASA-N 301.346 1.391 0 40 DDAB CCOC(=O)C[C@H](c1ccsc1)c1oc(CO)cc(=O)c1O 71284780 FUFZXCAKMMKACP-LLVKDONJSA-N 324.354 1.984 0 40 DDAB C[C@@H](C(=O)N(C)Cc1ccc(Br)o1)S(C)(=O)=O 44952240 LPRCPDGMGKEBAA-ZETCQYMHSA-N 324.196 1.434 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(C)c(C)c2)n1 77837251 NNSWXRRGTBYMOA-UHFFFAOYSA-N 316.361 1.682 0 40 DDAB CNC(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)c1coc(C)n1 72388657 ZTHMPAWXQKJCMC-LLVKDONJSA-N 303.322 1.043 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1ccco1)O2 40778665 SCNKBFJZEWDBBH-INIZCTEOSA-N 300.314 1.994 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3CCCO3)CC(=O)N2C)cc1 226602709 COAICYPYBTXYKZ-HLLBOEOZSA-N 316.401 1.810 0 40 DDAB COc1cccc(COCC(=O)N2CCC[C@@H]2c2ncon2)c1 568778080 BERFISZGGHOZGQ-CQSZACIVSA-N 317.345 1.959 0 40 DDAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ncccn1 226016235 PRJBJDRKJUIHHC-UHFFFAOYSA-N 302.359 1.734 0 40 DDAB c1ccc(Cc2noc(CN3CCC4(CC3)OCCO4)n2)cc1 47496804 XJVASIWEBFGIJE-UHFFFAOYSA-N 315.373 1.999 0 40 DDAB COc1cc(-c2nnc(SCCN)[nH]2)cc(OC)c1OC 224978550 XZRVLPYOVAAZIS-UHFFFAOYSA-N 310.379 1.548 0 40 DDAB CC[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nc(C)n[nH]1 81844555 WXCPHCWZMASQNX-GFCCVEGCSA-N 311.349 1.575 0 40 DDAB COC(=O)[C@@H]1CN(Cc2nc3cc(Cl)ccc3[nH]2)C[C@@H](C)O1 225410585 JVWXDFGPGQZOAM-RNCFNFMXSA-N 323.780 1.979 0 40 DDAB Nc1nc(N2CCO[C@H]3CCCC[C@@H]32)cc(-n2cccn2)n1 195575527 YQXVRZSKWOHCTC-RYUDHWBXSA-N 300.366 1.392 0 40 DDAB O=S1(=O)CCCN1Cc1cc(Cl)c2c(c1)OCCO2 48609976 WDPLTSQLVJJHCH-UHFFFAOYSA-N 303.767 1.647 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccccc1F 224216004 VPRMVDKHLOAUKH-UHFFFAOYSA-N 316.336 1.382 0 40 DDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(Cl)cs1 194302879 XCUAMXKVEIMMQU-SNVBAGLBSA-N 302.783 1.265 0 40 DDAB CO[C@H]1CCN(C2CCOCC2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96217129 CQZVKHWASJLJGH-KSZLIROESA-N 320.433 1.980 0 40 DDAB COC1(CNC2CCN(Cc3ccccn3)CC2)CCOCC1 90653209 JYOYPGLZPWNIQF-UHFFFAOYSA-N 319.449 1.831 0 40 DDAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCN(C)CC2)C1 96193096 QTSVWIZOBVBUQA-QGZVFWFLSA-N 317.389 1.352 0 40 DDAB O=C(NC1CC1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 96073777 LCCKUAJWLRPHBQ-XJKSGUPXSA-N 317.393 1.384 0 40 DDAB CC(C)c1ccc([C@@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 96502011 SZWPEPLKHKFZJR-CZUORRHYSA-N 315.417 1.514 0 40 DDAB Cn1nc(C(=O)N2CCCC2)c2c1CN(CC1CCOCC1)C2 96066721 GLWITEDEQQQGLN-UHFFFAOYSA-N 318.421 1.398 0 40 DDAB CC(C)CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 96080814 ZDDPJTGEMYNXOI-GASCZTMLSA-N 308.447 1.895 0 40 DDAB Cc1cc(=O)oc2cc(NC(=O)[C@H](N)CCCCN)ccc12 98092096 ZLBMFVYCTXDWPT-CYBMUJFWSA-N 303.362 1.496 0 40 DDAB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1cncnc1)COC3 96112430 JVABUPKBNOFGGX-ZDUSSCGKSA-N 323.356 1.636 0 40 DDAB biogenic,in-vitro O=C(c1cccnc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96239212 UEIMTUDQNAHCQK-QGZVFWFLSA-N 323.356 1.141 0 40 DDAB CCc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)nc1 96253006 ONPZRISMAKHWGU-QLFBSQMISA-N 316.405 1.159 0 40 DDAB O=C(c1ccc2[nH]ccc2c1)N1CCN(C[C@@H]2CCOC2)CC1 96454797 XTHYGKMFCCJBKK-AWEZNQCLSA-N 313.401 1.962 0 40 DDAB O=C(c1cc(O)nc(O)n1)N1CCC[C@@H]1CCc1ccncc1 257293239 QOROOUSVYCMWML-GFCCVEGCSA-N 314.345 1.520 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2NC1=O 252496920 PVCSWPTUJAKZQI-MNOVXSKESA-N 324.402 1.969 0 40 DDAB COCC(=O)NCc1ncc(-c2ccccc2C(=O)O)s1 257278682 ODEXOLRWELGPFO-UHFFFAOYSA-N 306.343 1.771 0 40 DDAB COC(=O)c1cccc(CCNC(=O)C23CCCN2CCC3)c1 252508296 XJKOFCSYKGJQGO-UHFFFAOYSA-N 316.401 1.760 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)c1 257340996 ZIKJCDCVIXYJHN-BBRMVZONSA-N 304.394 1.241 0 40 DDAB C[C@]12CCCCN(C(=O)c3cnccn3)[C@H]1CCCC(=O)N2 257255102 KGDCBEIQPDRALS-BBRMVZONSA-N 302.378 1.530 0 40 DDAB CC(=O)NC1CCN(Cc2ccnc([C@@H]3CCCO3)n2)CC1 257318958 VQBVLBMRUXZMPW-HNNXBMFYSA-N 304.394 1.429 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)[C@H](C)CSC)O1 253392589 DPKPPLZBXGZODC-KVSVUVNWSA-N 315.435 1.696 0 40 DDAB O=C(O)CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585274738 MVIPSMSPPBPPQN-KBPBESRZSA-N 309.337 1.585 0 40 DDAB Cc1ccccc1-n1nccc1NC(=O)[C@H]1CCS(=O)(=O)C1 72282031 ADWICJDHTUKDTF-LBPRGKRZSA-N 319.386 1.554 0 40 DDAB O=C(c1cccc2c1OCO2)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269170 ZOXVRQMBQDICBJ-ZIAGYGMSSA-N 318.373 1.087 0 40 DDAB CN(C(=O)c1cn(C)nc1C(F)F)C1CN(c2cnccn2)C1 1776007738 BYJGRLQROHJYJK-UHFFFAOYSA-N 322.319 1.109 0 40 DDAB Cc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1 76041524 ZABLHCDSCFVNBY-LBPRGKRZSA-N 320.393 1.866 0 40 DDAB CCc1nnc(CNc2ccc(C(=O)N[C@H](CC)CO)cc2)o1 76701639 RQVCDUGEIUZBAZ-GFCCVEGCSA-N 318.377 1.745 0 40 DDAB O=C(CNC1(Cc2ccccc2)CCCC1)N1CCOCC1 96014171 ROOCYHSUAIWIAY-UHFFFAOYSA-N 302.418 1.990 0 40 DDAB CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)on1 96412832 DFLDLHXFFZFBKI-ZJUUUORDSA-N 300.380 1.446 0 40 DDAB CCS(=O)(=O)NCCNc1ncc(Br)cc1C 89274504 IUFBSUCNBZZCCT-UHFFFAOYSA-N 322.228 1.504 0 40 DDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCC1CC1 1548925279 NBBIKHDDGPHHBA-GVDBMIGSSA-N 314.389 1.073 0 40 DDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1 5006585 HUYJHGQWADOPRQ-XYOKQWHBSA-N 304.302 1.151 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 11595088 AKGDSTJIOGYTIY-UHFFFAOYSA-N 308.334 1.986 0 40 DDAB COC(=O)CC1=N[C@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1O 16607956 FKJPBMDSUUXDGP-KBPBESRZSA-N 300.318 1.551 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1c[nH]nc1-c1cccs1 19575212 DHPFLFPLWJXGMT-MRVWCRGKSA-N 318.446 1.778 0 40 DDAB O=C(COC(=O)Cc1ccsc1)NC(=O)NC1CCCC1 6423614 DKSRDWZJHNOKNG-UHFFFAOYSA-N 310.375 1.602 0 40 DDAB CN1C[C@H](CN2CCC[C@H](COc3ncccn3)C2)CC1=O 1848967439 DANFDOZTMLOZAO-UONOGXRCSA-N 304.394 1.046 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc[nH]c1=O 21497950 RHYSTIDTOHYQJL-LBPRGKRZSA-N 318.354 1.023 0 40 DDAB c1nc(N2CCN(c3cnsn3)CC2)c2sccc2n1 1889138885 AIASDRDIPPMIGT-UHFFFAOYSA-N 304.404 1.869 0 40 DDAB OC[C@H](O)CN1CCN(Cc2csc3ccccc23)CC1 22802964 YPIWHZVODOWNSP-CQSZACIVSA-N 306.431 1.372 0 40 DDAB CCSCC(=O)N1C[C@H]2CCN(CCCOC)CC[C@H]2C1 2056224431 QMNMCWHCCHRDRZ-GASCZTMLSA-N 314.495 1.946 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)C3(F)CCC3)CCO2)C1 1565544952 UURXCJFXLJCQML-OAHLLOKOSA-N 314.401 1.217 0 40 DDAB O=C(N[C@@H]1CCc2nc(N3CCCC3)ncc2C1)[C@@H]1CCOC1 1565556551 NKXRRZKVPNZFCY-TZMCWYRMSA-N 316.405 1.087 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)c1cc[nH]c1)CC2 1565544312 DPHUDVPOLDFVOM-UHFFFAOYSA-N 304.438 1.647 0 40 DDAB O=C(NCc1cccs1)N1CCN(c2cccnc2)C(=O)C1 1775966256 WBXWYDAIPPFDNY-UHFFFAOYSA-N 316.386 1.702 0 40 DDAB CC(C)NC(=O)CN1CCN(c2nsc3ccccc23)CC1 2086868771 FYQCWDDBBVKIMQ-UHFFFAOYSA-N 318.446 1.943 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1ccn2nccc12 206744271 TZFMDQRXXMLBPB-DUXPYHPUSA-N 324.340 1.694 0 40 DDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Cc1cccs1)C2 618255997 BRAAUNMWRLDOLQ-LBPRGKRZSA-N 316.430 1.820 0 40 DDAB COCCc1nsc(N2CCC(NC(=O)C3CCC3)CC2)n1 364339880 RRLXJGHUCBDFFB-UHFFFAOYSA-N 324.450 1.612 0 40 DDAB CCn1nc(C)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 13699956 HFYBCHSWDWKCHB-UHFFFAOYSA-N 308.363 1.111 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1 40433605 QZMJNGJLARSTFA-NSHDSACASA-N 307.375 1.453 0 40 DDAB CC(=O)N1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1 40516074 RKYXKSHDYYURDV-UHFFFAOYSA-N 322.409 1.381 0 40 DDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cnn(C)c2)C1=O 40512503 OXJNFFPDRRTXIM-SNVBAGLBSA-N 300.318 1.173 0 40 DDAB CC[C@H](C)N(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H](C)CC 20607119 DZFZTNKMSKXPFR-RYUDHWBXSA-N 319.409 1.556 0 40 DDAB COC(=O)CCCN(C)C(=O)c1ccc(S(C)(=O)=O)cc1 51769001 MTEWWLWNBQAGHI-UHFFFAOYSA-N 313.375 1.115 0 40 DDAB CC(=O)c1c[nH]c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 21061654 ISGLWDFQFCCSAC-TXEJJXNPSA-N 321.421 1.835 0 40 DDAB CC(=O)Nc1nc(CN2CCN(c3nccs3)CC2)cs1 21335207 AQNJMSIQUNQYNV-UHFFFAOYSA-N 323.447 1.880 0 40 DDAB Cc1ccc(OCCNC(=O)N2CCC(C(N)=O)CC2)cc1 32843706 PZZSOZRUEZHRNZ-UHFFFAOYSA-N 305.378 1.281 0 40 DDAB Cn1c(S)nnc1CNC(=O)c1ccc(OCC2CC2)cc1 103980507 HIYMTODNOACBMU-UHFFFAOYSA-N 318.402 1.823 0 40 DDAB Cn1ccc(CN2CCN(Cc3ccsc3)CC2)cc1=O 42112449 LSJLRDNMPNWGKO-UHFFFAOYSA-N 303.431 1.765 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(CCO)CC1 42287288 AADXXCSMXWTSGT-JKSUJKDBSA-N 319.449 1.171 0 40 DDAB Cn1c(=O)n(C)c2cc(CN3C(=O)c4ccccc4C3=O)ccc21 39251 LCKOFVPAMFZHMX-UHFFFAOYSA-N 321.336 1.673 0 40 DDAB Cc1cccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)c1C 115617 UYFMIYUUOBSTIK-SECBINFHSA-N 320.374 1.194 0 40 DDAB Cc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)O)C2=O)c(C)c1 257858 QXYDEVOURBANIZ-JQWIXIFHSA-N 322.386 1.080 0 40 DDAB O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccccc1 1269611 HPMPVSPTMDUBOZ-UHFFFAOYSA-N 318.402 1.665 0 40 DDAB CC(C)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)C1 106155732 SKXMTOVBSTWAKK-STQMWFEESA-N 307.394 1.244 0 40 DDAB COCc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)no1 79394883 OPLGBARYZKZBRQ-UHFFFAOYSA-N 314.305 1.264 0 40 DDAB CCN1CCCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 106759307 JGGJNNIPNLYQDX-CJNGLKHVSA-N 304.390 1.769 0 40 DDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)cc1 3505723 HORCAKANNZZQTA-UHFFFAOYSA-N 305.309 1.629 0 40 DDAB CC[C@@H]1CN(C(=O)CN2C(=O)CCc3ccccc32)C[C@@H]1O 95445031 DGSHNXNEZHSYIL-DOMZBBRYSA-N 302.374 1.195 0 40 DDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(=O)NC2CC2)CC1 55914244 LZSUAXAAGVSDRY-ZIAGYGMSSA-N 321.465 1.767 0 40 DDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 57355489 GYDSPNSISQUZGT-NVXWUHKLSA-N 315.417 1.370 0 40 DDAB CC(C)N(C)Cc1cnc2n1CCN(C[C@H]1CCOC1)CC2 107212024 CAWKZGDTBQZWFY-OAHLLOKOSA-N 306.454 1.618 0 40 DDAB Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H]2C(N)=O)c1C 57944919 LDEDPFVTJAQDCI-LSDHHAIUSA-N 306.406 1.301 0 40 DDAB CCc1nc(CN2CCN(CC(=O)N[C@H](C)CC)CC2)cs1 44744141 JGDRRQNYHKTCLC-CYBMUJFWSA-N 324.494 1.738 0 40 DDAB CC(C)=CC(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108533077 AGDIIQWXUVKIKR-IRXDYDNUSA-N 315.417 1.850 0 40 DDAB CC(C)(C)c1cc(NC(=O)c2cnc3ccccn3c2=O)[nH]n1 58141361 AZSDVQWYRRXQGC-UHFFFAOYSA-N 311.345 1.967 0 40 DDAB CCOC(=O)CN(CC(=O)NC(=O)Nc1ccccc1)C(C)C 58155692 YKJGYOUNRBHLLF-UHFFFAOYSA-N 321.377 1.608 0 40 DDAB CC(C)C(=O)N1CCCN(CC(=O)N(C)CC(F)(F)F)CC1 75143539 GWHLROFULXWZAX-UHFFFAOYSA-N 323.359 1.197 0 40 DDAB CC1CCN(C(=O)Cn2c(-c3ccccn3)noc2=O)CC1 58293002 SAJFWAIWXGDCAD-UHFFFAOYSA-N 302.334 1.157 0 40 DDAB COc1ccc(NC(=O)C(=O)NCCOc2ccccc2)cc1 9235378 ULKDOMNXVZIVJK-UHFFFAOYSA-N 314.341 1.829 0 40 DDAB CCOCCCNC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC 58393667 WWVWWAQQOBPNTO-VXGBXAGGSA-N 302.440 1.477 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1F 27939766 IOAIRDUNLVIPDO-QMMMGPOBSA-N 307.343 1.156 0 40 DDAB O=C(O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1 36242363 BSSWSKSNCYOFKM-UHFFFAOYSA-N 302.315 1.286 0 40 DDAB NC(=O)COc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 89781047 UCLFLXWPWQTTEX-CABCVRRESA-N 318.373 1.334 0 40 DDAB O=C(O)C[C@H](NC(=O)c1cnc(-c2ncccn2)s1)C1CC1 89884850 JIWIYLISAPQDKI-VIFPVBQESA-N 318.358 1.583 0 40 DDAB C[C@H]1CCc2sc3nc(NCCO)n4ncnc4c3c2C1 2448450 MTQLCYQOFNXKHG-QMMMGPOBSA-N 303.391 1.868 0 40 DDAB Cc1cccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)c1 22239096 CLPHXYIMJAKNDI-CQSZACIVSA-N 305.341 1.992 0 40 DDAB CCOC(=O)C(C)(Cc1ccc(CC(=O)O)cc1)C(=O)OCC 22056968 XYAHFKQDELAIIC-UHFFFAOYSA-N 322.357 1.989 0 40 DDAB in-vitro CC[C@H](CO)Nc1ncnc2c1c(Br)nn2C 60378670 VPAWIGOLHYOTLT-ZCFIWIBFSA-N 300.160 1.309 0 40 DDAB Cc1nn(CC(=O)N(C)Cc2c(C)nn(C)c2C)cc1Cl 2777937 PUSQARGQVFCVHO-UHFFFAOYSA-N 309.801 1.854 0 40 DDAB C[C@H]1COCCN1C(=O)NCCc1cc(F)cc2c1OCOC2 47070070 MFBWQNVESAYYJL-NSHDSACASA-N 324.352 1.665 0 40 DDAB O=C(NCc1ccccc1Cn1cncn1)NC[C@H]1CCOC1 48251561 NMYVACAKFUGLAU-CYBMUJFWSA-N 315.377 1.162 0 40 DDAB Cn1cc(/C=C/C(=O)N2CCCS2(=O)=O)c2ccccc21 76823106 WWNAHTHBOIWMLU-BQYQJAHWSA-N 304.371 1.754 0 40 DDAB C[C@H](O)c1ccc2c(c1)OCCOCCOCCOCCO2 5211337 XXKHOINVWSXOSG-ZDUSSCGKSA-N 312.362 1.561 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C 65547580 RWZPBXIXAUTSJH-AAEUAGOBSA-N 317.389 1.414 0 40 DDAB COCCn1ccc(NC(=O)c2ccnc(-n3ccnc3)c2)n1 65531346 HFHVDTMBOZIIPX-UHFFFAOYSA-N 312.333 1.363 0 40 DDAB COc1ccccc1CNC(=O)COn1nnc2ccccc21 5404153 CUJVGTYFWRNSEC-UHFFFAOYSA-N 312.329 1.185 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccccc2)N1 4854635 LFXHVTFJXRXTIK-WFASDCNBSA-N 313.357 1.316 0 40 DDAB CCn1c(CN2CCC(C(N)=O)CC2)nc2cc(F)ccc21 66828393 FDUVXPBVOHQJFI-UHFFFAOYSA-N 304.369 1.893 0 40 DDAB O=C1CN(C(=O)NCc2nc(-c3ccccc3)cs2)CCN1 80041274 MYLJDBQJEMYLCX-UHFFFAOYSA-N 316.386 1.452 0 40 DDAB COc1ccc(CCC(=O)N2CCN(C[C@H](C)O)CC2)cc1F 71871110 GCJJXRQIYLVCBO-ZDUSSCGKSA-N 324.396 1.292 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)Cc2cccc3ccccc23)CC1 71870967 DPZDEYBHGAVTTI-OAHLLOKOSA-N 312.413 1.907 0 40 DDAB Cc1noc(COC(=O)[C@H]2CC(=O)N(C3CCCCCC3)C2)n1 71883734 WJNFRPIOKMRZRJ-LBPRGKRZSA-N 321.377 1.993 0 40 DDAB COc1ncccc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 71821629 WMRHTSNATNCWFH-ZDUSSCGKSA-N 319.405 1.416 0 40 DDAB C[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C1 8279992 ZMEKQNRULVLNSA-LLVKDONJSA-N 303.341 1.738 0 40 DDAB c1ccc(Cc2nnc(CN3CCC[C@H]3Cn3cncn3)o2)cc1 69488860 HBOMEZSMLPYJHV-HNNXBMFYSA-N 324.388 1.917 0 40 DDAB C[C@H](O)CN1CCC(CN[C@H](C)c2nc(C3CC3)no2)CC1 69511556 UFFDBCISTWLMAM-NWDGAFQWSA-N 308.426 1.690 0 40 DDAB C[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H](O)COCc1ccccc1 69654314 RHHHSLPNGMHAKC-HOCLYGCPSA-N 322.449 1.799 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1 69742824 PIFOXFMXJMLZCJ-HNNXBMFYSA-N 322.372 1.941 0 40 DDAB CN(CC1CC1)C(=O)CN1CCN(c2ccncc2Cl)CC1 97032256 FIGQPSBTTTWNJQ-UHFFFAOYSA-N 322.840 1.725 0 40 DDAB C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)N1CCOCC1 8776980 ZGDJFFVIJGCZTO-JTQLQIEISA-N 320.374 1.471 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)cc1 8747907 MDDZUKZDMVMRER-AWEZNQCLSA-N 324.402 1.131 0 40 DDAB C[S@](=O)C[C@H](NC(=O)c1ncccc1O)c1ccccc1 97141373 BQWVHUGDEXDIRR-LAJNKCICSA-N 304.371 1.637 0 40 DDAB C[C@@H]1CN(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)C[C@@H](C)O1 97212568 RRNFRWLRYJDDMV-GHMZBOCLSA-N 316.427 1.404 0 40 DDAB CN(C)c1ncnc2c1CN(Cc1ccc3c(c1)OC(=O)C3)CC2 97201969 IZMMGYNHXPVNDM-UHFFFAOYSA-N 324.384 1.562 0 40 DDAB C[C@@H]1CN(CC(=O)NCc2cccnc2)c2ccccc2NC1=O 72487347 MNVWNFRGLASEGP-CYBMUJFWSA-N 324.384 1.793 0 40 DDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1OC 34792495 NYNVKFQJJYOTKZ-SWLSCSKDSA-N 307.346 1.706 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)c2n[nH]cc2c1 525872027 ZFOKXYRGQMXNAV-AWEZNQCLSA-N 314.389 1.858 0 40 DDAB C[C@H](C(=O)NS(=O)(=O)c1cccs1)N1CCCCCC1 123580207 FJSKXKZVBBYGSB-LLVKDONJSA-N 316.448 1.818 0 40 DDAB CCc1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc(O)n1 539770382 STQSCPKEDPZICH-GFCCVEGCSA-N 314.389 1.788 0 40 DDAB Cc1cncc(-c2nc(CN3CC[S@](=O)CC3(C)C)no2)c1 556235141 GGNUBMLHNMTHJL-QFIPXVFZSA-N 320.418 1.783 0 40 DDAB CCOc1nnc(CN(CCC(N)=O)c2ccc(F)cc2)s1 77280176 XNJHWECGNZKAEP-UHFFFAOYSA-N 324.381 1.958 0 40 DDAB C[C@H](O)[C@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)O 218767671 KHVZSDPSJOQXGX-FZMZJTMJSA-N 316.361 1.012 0 40 DDAB CCOC(=O)[C@H]1CC(C(=O)OCC)(C(=O)OCC)CCC1=O 36415674 AZZZPEZAKWSDAJ-JTQLQIEISA-N 314.334 1.031 0 40 DDAB Cc1ccc(C)c(NC(=O)Cn2c(N)nc(C)c(C)c2=O)c1 49410964 CSENPIGXNSSFAK-UHFFFAOYSA-N 300.362 1.698 0 40 DDAB C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1F 48495806 QUSAFPHNJBPJLM-ZCFIWIBFSA-N 319.130 1.024 0 40 DDAB CCOCCCNC(=O)c1cc2ccc(OC)cc2oc1=O 226043261 ANOXHMQZIMAYQG-UHFFFAOYSA-N 305.330 1.958 0 40 DDAB O=S1(=O)CC[C@@H](c2nn3c(-c4ccco4)nnc3s2)C1 96223232 JCJTYKGDSKJNGX-SSDOTTSWSA-N 310.360 1.348 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H]2CCCOC2)cc1 96430929 HUVBRJBSYVRSPN-HOTGVXAUSA-N 316.401 1.781 0 40 DDAB CCc1nnc2n1C[C@@H](NC(=O)c1cnc3ccccc3n1)CC2 97198670 FLGRHTXEBTYNEE-NSHDSACASA-N 322.372 1.529 0 40 DDAB CCN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O 96050039 GHEZXKMUMGUZSC-UHFFFAOYSA-N 307.463 1.877 0 40 DDAB O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1Cc1ccsc1 96198726 ZJEDJCDKSTXDGA-ZIAGYGMSSA-N 310.419 1.498 0 40 DDAB COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 96419277 KACHNQXAZBXJQJ-HYVNUMGLSA-N 302.418 1.935 0 40 DDAB COCC(=O)N1C[C@H](OCc2nc3ccc(C)cc3[nH]2)[C@H](F)C1 96112073 UWXFDUGKNBLCBW-RISCZKNCSA-N 321.352 1.583 0 40 DDAB biogenic,in-vitro Cc1nc(N2CCCC2)nc2c1CN(C(=O)NC(C)C)CC2 96253852 OIALTRBBDZJXNR-UHFFFAOYSA-N 303.410 1.861 0 40 DDAB O=C(c1ccc[nH]1)N1CC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96218766 IRVIHKDYQYJPFA-WBMJQRKESA-N 314.345 1.257 0 40 DDAB Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](O)c1ccsc1 96467506 DPALJLQQIPQDHQ-GFCCVEGCSA-N 309.391 1.327 0 40 DDAB CC(C)NC(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CO2 96221675 HTYMHPKCYPEGKA-CYBMUJFWSA-N 319.409 1.630 0 40 DDAB CN1CC[C@H](NC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)C1=O 96415520 BKUVLHDYSQQTRO-WXHSDQCUSA-N 309.316 1.351 0 40 DDAB CC(C)N(C)CC(=O)Nc1cccc(N2CCCNC2=O)c1 96431741 YZZPCLONOHTSDE-UHFFFAOYSA-N 304.394 1.885 0 40 DDAB CCN1CCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)CC1 96192723 JOQQLGQHHSRQDG-QGZVFWFLSA-N 301.390 1.734 0 40 DDAB Cc1cc(CN2CC[C@@]3(C[C@@H](N4CCCC4=O)CCO3)C2)no1 96209546 UEKFQWGAOXHGAK-DOTOQJQBSA-N 319.405 1.729 0 40 DDAB C[C@H](NC(=O)[C@@H](C)n1cncn1)c1cccc(-n2cccn2)c1 96443800 KUZAIBWZJIHIIL-QWHCGFSZSA-N 310.361 1.902 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(N)=O)c(F)c1 96415032 WLQBWKRLIFQZJQ-LLVKDONJSA-N 314.382 1.553 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 97103043 MYNDNYPPUHIKBW-CYBMUJFWSA-N 323.393 1.892 0 40 DDAB CCN(CC)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 96181453 DUKNWDOTDRWZIR-HOTGVXAUSA-N 304.390 1.762 0 40 DDAB CN(C)C(=O)CO[C@@H]1CCC[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 96248990 OPABICYDYGRDAD-ARFHVFGLSA-N 320.437 1.125 0 40 DDAB C[C@@H]1c2ncc(COCC(=O)N(C)C)n2CCN1C1CCC1 96109728 RADGNQQABHRVGW-GFCCVEGCSA-N 306.410 1.417 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(CC(=O)O)C[C@H]12 96251874 KXRUAISDNPUQLC-DOTOQJQBSA-N 302.374 1.336 0 40 DDAB Cc1cnc(C(=O)N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)cn1 96249237 WTCFLWLDIKFEIX-ZBEGNZNMSA-N 312.329 1.023 0 40 DDAB C[C@H]1COCCN1[C@H](C)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O 245289708 DOUKKRWAPAYENX-LXTVHRRPSA-N 318.483 1.041 0 40 DDAB C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)O1 245287224 BNIJYIGRCGPPFT-OSAQELSMSA-N 305.378 1.551 0 40 DDAB O=C(c1ccc(Cl)cc1)N1CC[C@@](O)(CN2CCOCC2)C1 257226898 FMQLDMHXFVMMGW-MRXNPFEDSA-N 324.808 1.249 0 40 DDAB CN(CC(=O)N1CC[C@@H]2[C@H](CCCC(=O)N2C)C1)C1CCCC1 257254591 KDUKUPDFASXCLC-GDBMZVCRSA-N 321.465 1.720 0 40 DDAB CCc1nccn1CC(=O)N1CC[C@@H](c2nc(C)cn2C)C1 257302404 SCUVFEZVYTUTLD-CYBMUJFWSA-N 301.394 1.504 0 40 DDAB Cc1cc(C)nc(N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257335215 YJDSSXFQJQITNT-LLVKDONJSA-N 321.406 1.214 0 40 DDAB CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)S(=O)(=O)C1CC1 253415314 PKZMQUKGOUBNLA-UHFFFAOYSA-N 307.375 1.857 0 40 DDAB Cn1ncc(CNCCCN2CCOCC2)c1C(F)(F)F 256050982 HHCKDGGASREMAK-UHFFFAOYSA-N 306.332 1.251 0 40 DDAB CNc1cc([C@@H]2CCCN2C(=O)CN2CCOCC2)ccn1 257223106 DVWUMFAXIGCCLM-AWEZNQCLSA-N 304.394 1.119 0 40 DDAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCCN2S(C)(=O)=O)n1 257332227 XWHRNFRLNYNPFE-AWEZNQCLSA-N 321.406 1.282 0 40 DDAB CCc1cccc(NC(=O)CNC(=O)[C@H]2CSC(=O)N2)c1 266846312 QAGQZWXSZJVISP-LLVKDONJSA-N 307.375 1.129 0 40 DDAB O=C(O)[C@@H]1CCCCCC[C@H]1NS(=O)(=O)N1CCCC1 547933293 SEHSQFUMMWGJHC-VXGBXAGGSA-N 304.412 1.340 0 40 DDAB Cc1nnsc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C 96362185 XFJMBGMNBTXTFK-CYBMUJFWSA-N 318.402 1.302 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 575406736 RLMCGKKLLVHLLP-OAHLLOKOSA-N 312.373 1.525 0 40 DDAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585095939 FJBGZZIPBOZLOT-HNNXBMFYSA-N 316.405 1.625 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cncc(C)n1)[C@H](C)C2 585097677 MOBJNDWNOCOVLW-CYBMUJFWSA-N 316.409 1.360 0 40 DDAB CC(C)C(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585095924 CMBOXORSCHNKDJ-CQSZACIVSA-N 316.361 1.332 0 40 DDAB O=C1CN(c2ccc(NC(=O)CCc3ccco3)cn2)CCN1 27263446 NHJCBHSEWFPVQT-UHFFFAOYSA-N 314.345 1.182 0 40 DDAB Cn1ccnc1CN1CCN(Cc2cn3ccccc3n2)CC1 69394010 PXJQXKLNBQQDST-UHFFFAOYSA-N 310.405 1.386 0 40 DDAB C[C@H]1CCC[C@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1 69655958 CLMWTLKWSGTHDK-WCQYABFASA-N 317.455 1.146 0 40 DDAB CC(C)N(C)S(=O)(=O)NCc1ccc(N2CCCC2)nc1 44937368 YUGZLZALHZRIAZ-UHFFFAOYSA-N 312.439 1.356 0 40 DDAB Cc1cc(NC(=O)c2ccncc2)n([C@H]2CCS(=O)(=O)C2)n1 43964513 QHWGQUMQFGSHLT-LBPRGKRZSA-N 320.374 1.198 0 40 DDAB CC(C)C(=O)Nc1nc(CC(=O)Nc2ccn(C)n2)cs1 44357859 UZFGBTIYIXBRHQ-UHFFFAOYSA-N 307.379 1.652 0 40 DDAB CN(Cc1nnsc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O 245316897 LCXPOHMSXLVHBB-NXEZZACHSA-N 323.871 1.979 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@H](O)c1ccc(F)c(F)c1 48249537 JDCWPUUOXOWYLX-AWEZNQCLSA-N 324.331 1.584 0 40 DDAB COC(=O)C[C@H](NC(=O)CCc1cnn(C)c1)c1ccccc1 54821369 LERYLBKCNNAZDI-HNNXBMFYSA-N 315.373 1.773 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2ccc(F)cc21 78964510 JOSVYSLGMPSXNV-UHFFFAOYSA-N 314.382 1.386 0 40 DDAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1csnn1 518393009 WUYYFYREOKZWBZ-MRVPVSSYSA-N 309.376 1.238 0 40 DDAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NC1CC1 12114485 FNYMMGILWDMUAY-VMZNBEPHSA-N 301.390 1.175 0 40 DDAB COC(=O)/C(=C\N(C)C)S(=O)(=O)c1cccnc1Cl 12415603 QCXDVBOQRWVMGB-VQHVLOKHSA-N 304.755 1.085 0 40 DDAB CS(=O)(=O)NCCCNc1ccnc2c(F)cc(F)cc12 157988991 TWCWIYCGTPIXKC-UHFFFAOYSA-N 315.345 1.864 0 40 DDAB COC[C@H](C)n1c(SCC(N)=O)nc2ccccc2c1=O 3590304 SQGKBSBRVPWFFF-VIFPVBQESA-N 307.375 1.181 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CCn2cncn2)cc1Cl 11527270 OSIQUBNGSORZOF-UHFFFAOYSA-N 307.741 1.919 0 40 DDAB CSc1nc(C)c(C)c(N2CCN(c3ncccn3)CC2)n1 1888854068 JKWKHQZVTZDZQM-UHFFFAOYSA-N 316.434 1.932 0 40 DDAB CCc1cnc(N2CCN(c3cc(N(C)C)ncn3)CC2)nc1 1888854721 XKFGDRAMOGCAEH-UHFFFAOYSA-N 313.409 1.222 0 40 DDAB c1nc(N2CCC(c3nnc(C4CC4)o3)CC2)c2c[nH]nc2n1 1888900960 NCIMZBXVHFLZER-UHFFFAOYSA-N 311.349 1.997 0 40 DDAB CSc1nccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 1889099224 YUUFJXAFIJCNPN-GFCCVEGCSA-N 322.434 1.274 0 40 DDAB CCN(CC)S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 23396454 ZEPDGSYGMKZBDT-UHFFFAOYSA-N 314.407 1.476 0 40 DDAB CC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 23695988 JKKNVGKFQHVDLV-UHFFFAOYSA-N 320.780 1.012 0 40 DDAB Cc1nc(CN2C[C@H]3CC[C@@H](N=c4cncc[nH]4)[C@H]3C2)cs1 2037846393 PJTITQLUZAECJJ-VHDGCEQUSA-N 315.446 1.986 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)no1 2037985035 VWMSPEAKHNPOAQ-OCCSQVGLSA-N 321.377 1.081 0 40 DDAB CCSCC(=O)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224138 DXEUIEVECQCEAQ-OKILXGFUSA-N 320.462 1.905 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)c1 2056224254 NMSZRLQSRSVGFL-LBPRGKRZSA-N 306.435 1.120 0 40 DDAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 2086923661 RTQIHCXULFTSGK-OAHLLOKOSA-N 319.449 1.854 0 40 DDAB COc1cnc(O[C@H]2CCN(c3cc(C4CC4)ncn3)C2)nc1 2087127699 VKJRBBCOUSFWSG-LBPRGKRZSA-N 313.361 1.810 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 258674 GCRRVEIEYIYHOR-UHFFFAOYSA-N 321.354 1.872 0 40 DDAB biogenic CCOc1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cccn2)cc1 41737013 LMFMJFCPWPAPMW-LBPRGKRZSA-N 316.361 1.425 0 40 DDAB CCC(=O)N[C@](Nc1ccccn1)(C(=O)OC)C(F)(F)F 20024966 ATLNXJXOUSAOHD-LLVKDONJSA-N 305.256 1.451 0 40 DDAB O=C(NCCc1ccccc1)C(=O)NCCc1cccs1 38717597 LHAQEHKLYABSJP-UHFFFAOYSA-N 302.399 1.766 0 40 DDAB CCOC(=O)CNC(=O)c1ccnc(O[C@@H]2CCSC2)c1 225718901 GOADZLONKYMCIM-LLVKDONJSA-N 310.375 1.259 0 40 DDAB CCOC(=O)CCC(=O)N1CC[C@H](Oc2cc(C)nc(C)n2)C1 585147483 UKCXTXXOOZCZMN-ZDUSSCGKSA-N 321.377 1.416 0 40 DDAB COc1ncc(NS(=O)(=O)c2ccc(OC)c(F)c2)cn1 585434486 YSUFGXANKLHZKH-UHFFFAOYSA-N 313.310 1.434 0 40 DDAB CN(C)c1noc(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)n1 330031964 GSAGFFNJADUORD-AWEZNQCLSA-N 320.368 1.973 0 40 DDAB NCCn1nc([C@@H]2CCN(Cc3ccccc3)C2)c2nccnc21 19371781 SUTGQTYJEHGUEP-OAHLLOKOSA-N 322.416 1.775 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2Cl)C1 52669123 NDXCLGHAAUIRAM-LBPRGKRZSA-N 302.827 1.854 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)no1 40513689 JMYYGZLJOQUNOZ-UHFFFAOYSA-N 315.373 1.794 0 40 DDAB CC(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 148677 HTJCYAUPTBCLAU-UHFFFAOYSA-N 308.359 1.921 0 40 DDAB CCn1cnnc1CNC(=O)NCc1ncc(C)c(OC)c1C 51334102 JPNARUGXGUIYHU-UHFFFAOYSA-N 318.381 1.318 0 40 DDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCCC1 101572362 OOPTYGZHJCMOTP-ZQDZILKHSA-N 316.401 1.490 0 40 DDAB CC(C)N1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O 32301026 TZPAPDUIYDKJFD-GFCCVEGCSA-N 322.434 1.049 0 40 DDAB NCCN[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 32559951 HWVBWCUNSKRBJQ-SECBINFHSA-N 320.176 1.324 0 40 DDAB Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1 350046 SCRZJMNUARZGRF-UHFFFAOYSA-N 300.343 1.764 0 40 DDAB Cc1csc(N2CCN(CCC(=O)N3CCCCC3)CC2)n1 52662885 XOVPJXUGJBUOJG-UHFFFAOYSA-N 322.478 1.976 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)Cc1ccn(C)c(=O)c1 42112589 FVAUNXLDNMZIDX-UHFFFAOYSA-N 300.358 1.789 0 40 DDAB C[C@@H](O)CNC(=O)NCCNc1ncc(Cl)cc1Cl 43002057 UNKKXMYANNKUKB-SSDOTTSWSA-N 307.181 1.480 0 40 DDAB CCCc1nc(C)c(C(=O)NC2CCN(CC(N)=O)CC2)s1 43008275 OAOBGONDEASEGU-UHFFFAOYSA-N 324.450 1.084 0 40 DDAB O=C(NCCCOC[C@@H]1CCCO1)c1ccc2[nH]nnc2c1 78473254 IYZZXZXDLYBAIH-LBPRGKRZSA-N 304.350 1.273 0 40 DDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1 3276828 JXVSPFVRAXMZMW-ZDUSSCGKSA-N 310.419 1.623 0 40 DDAB CC(C)c1ccccc1OC[C@@H](O)CN1CCC[C@@H](C(N)=O)C1 12549892 GVNVYCIATKRBNB-CABCVRRESA-N 320.433 1.747 0 40 DDAB COCCCN[C@H](CC(=O)Nc1cc(C)ccc1C)C(=O)O 4192710 CKDWLZHYVGSHRS-CQSZACIVSA-N 308.378 1.711 0 40 DDAB CCCCOC(=O)N1CCN(C[C@@H](O)CN(CC)CC)CC1 4744451 BFUIOWUPKPGBTC-HNNXBMFYSA-N 315.458 1.243 0 40 DDAB COCCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@@H]1c1ccccc1 35327114 QQEODDDXXYDBAN-KMFMINBZSA-N 306.358 1.690 0 40 DDAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(C)C1CCCC1 58006957 PZNBQSLFOHMBCV-UHFFFAOYSA-N 315.395 1.458 0 40 DDAB Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1Cc1ccccc1 44874965 SIFPVNUMCYFOHZ-UHFFFAOYSA-N 311.385 1.725 0 40 DDAB CC1CCN(C(=O)[C@H](C)N2CCN(c3nccs3)CC2)CC1 44894375 MLQMUPAWPVEMAV-AWEZNQCLSA-N 322.478 1.912 0 40 DDAB CN1CCO[C@@H](CNC(=O)CCn2ccc3ccccc32)C1 58314671 DBRVXRWNODECIY-HNNXBMFYSA-N 301.390 1.478 0 40 DDAB CC(=O)Nc1ccc(CNC(=O)CCCn2cncn2)cc1 45078718 NJMVWXKQQPUUDP-UHFFFAOYSA-N 301.350 1.333 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100642679 YCXQFNKUNUIKKV-QPGGAUJDSA-N 317.341 1.840 0 40 DDAB CC1CCC(O)(CN2CCN(C(=O)c3cnccn3)CC2)CC1 95401509 VBTRZMKBPRXRCO-UHFFFAOYSA-N 318.421 1.176 0 40 DDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C)o1 45896166 YNUOLOBQTUVXFB-GFCCVEGCSA-N 319.321 1.053 0 40 DDAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(OCC(N)=O)cc1 29380467 GODSMUURHUNXOA-GFCCVEGCSA-N 313.357 1.569 0 40 DDAB Cc1cn2nc(NCCNC(=O)c3ccccc3)sc2n1 29588106 OQYIBEHHOYVMIP-UHFFFAOYSA-N 301.375 1.941 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](CSCCCC(=O)O)C(=O)O 2576523 JNLXXEXGPIWUOH-QMMMGPOBSA-N 307.368 1.562 0 40 DDAB COc1ccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OC)cc1F 106373266 PLXOJEZZGPDHEO-QEJZJMRPSA-N 309.337 1.853 0 40 DDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC(O)=NC1=O 59192950 NIMKPKMABUXTKM-WPRPVWTQSA-N 314.338 1.334 0 40 DDAB Cc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2N)cc1 3292624 MQOJUZOAFHJWIL-UHFFFAOYSA-N 319.434 1.974 0 40 DDAB Cn1nnnc1SCC(=O)N1CCSc2ccccc21 12600692 WOFHRZPWMVFGNK-UHFFFAOYSA-N 307.404 1.441 0 40 DDAB COc1cc(CNC(=O)NCc2cccnc2N(C)C)ccn1 48262019 GGVOTUQSZPMEIJ-UHFFFAOYSA-N 315.377 1.551 0 40 DDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)C1CC1 48261630 SGULTCAKOIHPLD-BONVTDFDSA-N 317.368 1.819 0 40 DDAB O=C([C@@H]1CCS(=O)(=O)C1)n1cccc/c1=N\C1CCCCC1 48236071 UPXFQJFNOFAJME-BVFVFODLSA-N 322.430 1.796 0 40 DDAB COc1ncccc1NC(=O)N1CCN(c2ncccn2)CC1 48231843 IRXHOUVPCMZYRJ-UHFFFAOYSA-N 314.349 1.234 0 40 DDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1COc2ccccc2C1 48344829 JBVQTJLCMATLIO-CYBMUJFWSA-N 312.373 1.434 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)CCOc3ccccc32)no1 12815075 DVBYVVKQBAHHHR-UHFFFAOYSA-N 301.302 1.737 0 40 DDAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(C)nn32)cc1 72333037 ALWWFRIXRAAWES-GFCCVEGCSA-N 300.318 1.722 0 40 DDAB O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 13015857 RSVXTZSALYCZTN-KBPBESRZSA-N 307.415 1.657 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@H](N2CCCC2)C1 65444406 YUJYLBNROLPDEY-CABCVRRESA-N 305.426 1.541 0 40 DDAB COc1cc(CN(CC(N)=O)C2CC2)ccc1OC(F)F 14018179 KXJNPMSAVSUGBK-UHFFFAOYSA-N 300.305 1.746 0 40 DDAB Cc1nccc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 65587000 SWVNQSSFKXWUET-ZENOOKHLSA-N 320.437 1.535 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)NCc1ccc(Cl)cc1 14134608 IJEJAKOSMFFHOC-ZETCQYMHSA-N 311.798 1.837 0 40 DDAB Cc1ccc(C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 14111098 ZSCJDNRIPXGTBN-ZDUSSCGKSA-N 306.387 1.509 0 40 DDAB Cc1cccc2c(=O)n(CCC(=O)N3CCO[C@@H](C)C3)cnc12 14167394 XFIREQIQPBZMCX-ZDUSSCGKSA-N 315.373 1.342 0 40 DDAB CN1CC[C@H](NS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 95437353 PKCUWVINZAQZSN-RYUDHWBXSA-N 306.790 1.774 0 40 DDAB CN(C(=O)COc1ccc(-n2cnnn2)cc1)C1CCCCC1 5459577 QFLFBDUIVGRRTI-UHFFFAOYSA-N 315.377 1.832 0 40 DDAB O=C(C[C@@H]1NCCNC1=O)Nc1ccc(Cl)c(Cl)c1 5426055 JPTBGIHCKDTFGU-JTQLQIEISA-N 302.161 1.410 0 40 DDAB CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1C(C)C 4778618 SXDVXOKDKVKNAP-OAHLLOKOSA-N 310.419 1.912 0 40 DDAB CN(C(=O)Cn1cnc2sc3c(c2c1=O)CCC3)C1CC1 66408406 ZFFXKOTVYCEOKM-UHFFFAOYSA-N 303.387 1.568 0 40 DDAB NC(=O)CN1CCC(NC(=O)C2CC(c3ccccc3)C2)CC1 71834647 KLWTVEFYSDYJLK-UHFFFAOYSA-N 315.417 1.246 0 40 DDAB O=S(=O)(c1ccc2cccc3c2c1CC3)N1CCOCC1 7719119 QRQTWUYNXGYQKK-UHFFFAOYSA-N 303.383 1.959 0 40 DDAB Cc1cnn(CCNC[C@H](O)c2ccc3c(c2)OCCO3)c1 71872133 ZVLORNPOMVBMSX-AWEZNQCLSA-N 303.362 1.286 0 40 DDAB C[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cnn(C)c1 81498558 WBYJYKCUAKQMLK-KWQFWETISA-N 306.288 1.190 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)nn1 71872014 VBXNXCZZKSRSKF-LBPRGKRZSA-N 300.366 1.044 0 40 DDAB CCN(C(=O)CN1CCO[C@H](CN(C)C)C1)C1=CCCCC1 70021779 LLXOPLJPORLXRW-MRXNPFEDSA-N 309.454 1.555 0 40 DDAB COC(=O)NCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 69776915 POPQBXDJEPCCSA-UHFFFAOYSA-N 322.361 1.335 0 40 DDAB COc1ccccc1CCN(C)Cc1nc(N)nc(N(C)C)n1 69847795 VNTFYNBSISPKBT-UHFFFAOYSA-N 316.409 1.203 0 40 DDAB Cc1ccc(NCCNC(=O)c2cnn(-c3ccccc3)c2)nn1 69813952 VBDASDCWQFYXMV-UHFFFAOYSA-N 322.372 1.813 0 40 DDAB O=C(c1ccccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69848047 KIBISFHEOGGYTR-QGZVFWFLSA-N 311.385 1.573 0 40 DDAB Cc1cc(F)ccc1NCC(=O)NC[C@H]1CCS(=O)(=O)C1 84093453 FFWKGIQFIQOJKW-LLVKDONJSA-N 314.382 1.097 0 40 DDAB Cc1cc(NCCNCc2cccc3cn[nH]c23)n2ncnc2n1 84044968 QOWCRYZEIYYGIB-UHFFFAOYSA-N 322.376 1.511 0 40 DDAB CC(C)n1cc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cn1 97053637 RJPKDTRANGUROH-UHFFFAOYSA-N 313.383 1.945 0 40 DDAB Cc1cccc2nc(C[S@](=O)CC(=O)NCC(C)C)cn12 97083705 MUBCTFOXJNASJO-OAQYLSRUSA-N 307.419 1.664 0 40 DDAB C[C@@H](NC1CCOCC1)C(=O)Nc1ccc(-n2cncn2)cc1 97016731 VWYCOXLUKNYXBZ-GFCCVEGCSA-N 315.377 1.363 0 40 DDAB O=[S@](CCO)CCc1cc(Cl)c2c(c1)OCCCO2 97046644 XYHMFXHXYCFXSX-LJQANCHMSA-N 304.795 1.785 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)c1 72235523 BZPRWKOCHJPCDH-CQSZACIVSA-N 302.382 1.264 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C)C2)n1 75129680 MFHBHPOLVWEENN-CABCVRRESA-N 318.421 1.359 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(C)on1)CC2 89986348 YEMISXYFJKITPP-UONOGXRCSA-N 308.378 1.304 0 40 DDAB CCN1CC[C@H]2OCCN(C(=O)c3nc(C)ncc3Cl)[C@H]2C1 557748450 GYBIXXKVCBCQSY-QWHCGFSZSA-N 324.812 1.374 0 40 DDAB CNc1nc(C)cc(C(=O)N(C)Cc2csnc2OC)n1 1548501629 BRRBIIIIKOJDLG-UHFFFAOYSA-N 307.379 1.564 0 40 DDAB Cc1[nH]c2ccccc2c1CC(=O)N1Cc2cnn(CCO)c2C1 67446688 KIUBAISFPFUOIH-UHFFFAOYSA-N 324.384 1.750 0 40 DDAB CCN1Cc2c(C(=O)O)ncn2-c2ccccc2S1(=O)=O 306126350 DTHFJZGHQUFCHZ-UHFFFAOYSA-N 307.331 1.095 0 40 DDAB COc1ccc(-c2nnc3n2C2(CCNCC2)CN(C)C3)cc1 306135075 OHDLXFNIRMWNDQ-UHFFFAOYSA-N 313.405 1.478 0 40 DDAB Cc1cccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)c1C 36633842 DXGRYWVFSWGQOH-HNNXBMFYSA-N 301.390 1.183 0 40 DDAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ncc(Cl)cc1F 527565210 GJBVWJMATHOOAR-VAOFZXAKSA-N 311.748 1.959 0 40 DDAB CCN1CCO[C@H](C(=O)N2CCCc3cc(OC)ccc3C2)C1 73376297 SLTKVHCTPYXYMY-KRWDZBQOSA-N 318.417 1.691 0 40 DDAB Cn1cc(C(=O)NCCNC(=O)c2cccnc2)c2ccccc21 32123824 HYHJBGSBEDXNHF-UHFFFAOYSA-N 322.368 1.733 0 40 DDAB biogenic CS(=O)(=O)N1CCCC[C@@H]1c1cncc(-c2cncnc2)n1 72366218 GFTAAYOXQDSKJC-CQSZACIVSA-N 319.390 1.420 0 40 DDAB CCCC[C@@H](NCc1cnc(N2CCOCC2)nc1)C(=O)O 218757206 SSWZRXTWEDUWDV-CYBMUJFWSA-N 308.382 1.046 0 40 DDAB CCOC(=O)CCN(CCC(=O)OCC)CCC(=O)OCC 31912492 DQAUEQBDYUQDRY-UHFFFAOYSA-N 317.382 1.148 0 40 DDAB CC(C)Cn1ccnc1CNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 560408032 KFKHXNITSNYDSS-BYNSBNAKSA-N 316.405 1.634 0 40 DDAB CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cncnc2)n1 72388434 WRYXGBNRPXEWSW-MRXNPFEDSA-N 312.377 1.768 0 40 DDAB COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C 72405783 QWDGLYOIOOAKJI-UHFFFAOYSA-N 307.737 1.643 0 40 DDAB Cc1ccnc2nc(C(=O)N(C)c3ccc(Cl)cn3)nn12 76346753 GFPIDIHNNOCCGD-UHFFFAOYSA-N 302.725 1.758 0 40 DDAB C[C@H]1CN(C(=O)CCOc2nn(C)c3ccccc23)C[C@@H](C)O1 226865009 SJAAMTIXZZTRIW-BETUJISGSA-N 317.389 1.978 0 40 DDAB C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646444 VBOFFUXDLDGYAF-ZCFIWIBFSA-N 324.686 1.794 0 40 DDAB Cc1nnc(CNC(=O)c2cn(C)c(=O)c3ccccc23)s1 569783674 UIZCRSUVEFCZLY-UHFFFAOYSA-N 314.370 1.628 0 40 DDAB Cc1cccc(C(=O)NCc2nccc(N3CCOCC3)n2)c1 224167849 DUFDYWZYBOEWFK-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCO4)n2)cc1 75163421 MDOIIXKOENJLAK-UHFFFAOYSA-N 323.312 1.952 0 40 DDAB COc1cc2c(cc1S(=O)(=O)N1CCOCC1)CCCC2 225466902 BIXBPCSWCNEIIM-UHFFFAOYSA-N 311.403 1.595 0 40 DDAB COc1ccc(-c2c3c(=O)[nH]ccc3nc3nc(C)nn23)cc1 40372838 HZKSVRCPJZHQAN-UHFFFAOYSA-N 307.313 1.950 0 40 DDAB CC(=O)Oc1ccc(/C=C2/N=C(C)OC2=O)cc1OC(C)=O 83261025 DMGXTEIBZJZYKU-WUXMJOGZSA-N 303.270 1.853 0 40 DDAB COCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC 224400494 FNXGVGQZRZCSSI-UHFFFAOYSA-N 306.362 1.179 0 40 DDAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)CN(C)C)C2 225489198 BOIPYVPDNKIMEC-AWEZNQCLSA-N 317.389 1.614 0 40 DDAB biogenic,in-vitro O=C(NC[C@H](O)CN1CCCCC1)c1c(F)ccc(F)c1F 195567579 UYCFUNHCYBWSSE-JTQLQIEISA-N 316.323 1.681 0 40 DDAB CC(=O)N1CCOC[C@]2(CN(Cc3ccsc3)CCO2)C1 96049901 QFUFLNJKMPOILF-HNNXBMFYSA-N 310.419 1.198 0 40 DDAB O=C(c1ccnnc1)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 96186088 HLOBLFYWRSBTIW-PMPSAXMXSA-N 317.389 1.665 0 40 DDAB CN1CC[C@H](CN(C)C(=O)c2cc(OCC(F)F)ccn2)C1 96496491 KRQZMCHHAOUBDU-NSHDSACASA-N 313.348 1.749 0 40 DDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)no1 96066207 UBGWREGVSJRGFN-TUKIKUTGSA-N 305.378 1.241 0 40 DDAB Cc1ccsc1C(=O)N1CC[C@H](O)[C@@H]1Cc1cnn(C)c1 96200584 DQLNNPZCIAGEES-STQMWFEESA-N 305.403 1.608 0 40 DDAB CN1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3C(N)=O)O2)CC1 96064793 VDQMQZZWESYCOC-ILXRZTDVSA-N 311.426 1.045 0 40 DDAB COC(=O)[C@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2n1C 96412469 NJXRHTSFYDEFDR-NEPJUHHUSA-N 315.373 1.431 0 40 DDAB CN(C)C(=O)COCc1cncc2c1CCN(CC1CC1)C2 96189388 SXTOLXRMEDRGLA-UHFFFAOYSA-N 303.406 1.455 0 40 DDAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCCN(CC(F)F)CC1 245919235 NORUTVYJUIAICG-GRYCIOLGSA-N 303.353 1.289 0 40 DDAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1cccs1)C2 248044940 WHHCMGDULQSEIV-ZDUSSCGKSA-N 324.446 1.586 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)/C=C/c1cncc(F)c1 245344073 XGQADUWUASZXMR-MXHWGZMWSA-N 318.348 1.938 0 40 DDAB COCC(=O)NCC[C@H]1CN(CC2CCC2)Cc2ccnn21 247856086 UEOVZRMBXHOTNU-AWEZNQCLSA-N 306.410 1.193 0 40 DDAB Cn1cncc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257203282 APIVPUBQQFXBLZ-HOTGVXAUSA-N 312.373 1.036 0 40 DDAB Cc1cc(C)n2nc(NC(=O)NCc3cccc(O)n3)nc2n1 541870084 WXJBQEVIYIRQHW-UHFFFAOYSA-N 313.321 1.163 0 40 DDAB c1cc([C@H]2COCCN2Cc2ccc3c(c2)OCCO3)[nH]n1 257224908 FDWWFFRMRZUMMA-CQSZACIVSA-N 301.346 1.754 0 40 DDAB 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CCOc1ccc(CNC(=O)C(=O)NCc2cccnc2)cc1 339321440 WAVCBFFNAWESMC-UHFFFAOYSA-N 313.357 1.413 0 40 DDAB c1ccc(N2CC[C@]3(COCCN(c4ncccn4)C3)C2)nc1 96062481 BONCDDXHEHNOQJ-KRWDZBQOSA-N 311.389 1.605 0 40 DDAB CCN1CCN(C)C(=O)C12CCN(Cc1ccsc1)CC2 96230242 VRUYQWXXRORVHG-UHFFFAOYSA-N 307.463 1.877 0 40 DDAB c1csc(CN2CCc3ncc(Cn4cncn4)n3CC2)c1 96196980 PFRUPFVSBVKPKR-UHFFFAOYSA-N 314.418 1.643 0 40 DDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccsc3)C2)O1 96063307 PUCMUFFVLAMGML-ZBFHGGJFSA-N 324.446 1.700 0 40 DDAB COC[C@H]1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CN1C 96207592 BDNPOCHVSZDPCQ-CYBMUJFWSA-N 316.392 1.991 0 40 DDAB COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccncc1)C(=O)N2 96069661 XNVPPINWPINBDG-AWEZNQCLSA-N 317.389 1.083 0 40 DDAB O=C(O)CCCCCN[C@H]1CC(=O)N(Cc2ccccc2)C1=O 95481373 NYJUHCCYXJDVBN-AWEZNQCLSA-N 318.373 1.549 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(Cc4ccccn4)C3)C2=O)cn1 96050527 OWFBATKYGJBZOI-KRWDZBQOSA-N 311.389 1.444 0 40 DDAB Cc1noc(CCCNC(=O)C(=O)Nc2cccc(F)c2)n1 96413585 KMJKULPDGCGHOV-UHFFFAOYSA-N 306.297 1.205 0 40 DDAB CCCS(=O)(=O)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 96239126 LPCCJBQSHRVUJO-OAHLLOKOSA-N 323.418 1.250 0 40 DDAB Cn1cccc1C(=O)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046330 XMDCVBMDUFVJNK-VBNZEHGJSA-N 312.373 1.807 0 40 DDAB Cc1noc(CNC(=O)c2ccnc(O[C@@H]3CCSC3)c2)n1 245053627 PDJDKQLRJTUWSY-LLVKDONJSA-N 320.374 1.587 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 253472357 LNBGMQULOBWNDZ-DCOVWZKVSA-N 323.414 1.913 0 40 DDAB O=C(N[C@H](CO)C(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 252494288 NRAGGSMVWLGJNK-OWCLPIDISA-N 316.401 1.426 0 40 DDAB CC(=O)N1CCC(O)(CN2CCC[C@@H](c3nccs3)C2)CC1 257288284 PTPJVHBQXOVWHB-CQSZACIVSA-N 323.462 1.696 0 40 DDAB Cc1nnsc1C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 85560666 WWNBCKPGQNGTGF-JTQLQIEISA-N 321.358 1.429 0 40 DDAB COc1cccc([C@H](C)N[C@H](C)C(=O)N2CC[C@](C)(O)C2)c1 252587248 WQNNRNNXKULZCS-AHIWAGSCSA-N 306.406 1.718 0 40 DDAB O=C(O)c1ccc(O[C@@H]2CN(Cc3cscn3)C[C@H]2O)cc1 257215051 COKURDOWTFWNGZ-ZIAGYGMSSA-N 320.370 1.465 0 40 DDAB CNC(=O)c1cn[nH]c1[C@H]1CCN(Cc2ccccc2OC)C1 257283157 OWXSZIVZKGWCCT-ZDUSSCGKSA-N 314.389 1.767 0 40 DDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)C2(F)CC2)C3)n1 575402418 ANAYBKYMIODSAJ-GFCCVEGCSA-N 321.352 1.426 0 40 DDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3cc[nH]n3)CCO2)c1 585275258 BHLCGJWQMZUORT-QGZVFWFLSA-N 315.373 1.164 0 40 DDAB Cc1c(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)c2ccccc2n1C 585182242 ASZKIIPDKBMIGF-HUUCEWRRSA-N 301.390 1.234 0 40 DDAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(O)nn1 30017581 MYLOIRJQLBOQLJ-UHFFFAOYSA-N 314.345 1.580 0 40 DDAB CO[C@@H](C)c1cccc(NC(=O)C(=O)N2CCC(O)CC2)c1 69772895 GLZFUBAXVDZZFL-NSHDSACASA-N 306.362 1.316 0 40 DDAB O=C(COC[C@H]1CCCO1)N[C@@H]1CCOc2ccc(F)cc21 71890865 AGRURCLPSOMATJ-TZMCWYRMSA-N 309.337 1.961 0 40 DDAB CC[C@@H](CNS(=O)(=O)c1c[nH]cn1)Oc1ccccc1F 75094150 OQRXCGBNJMUYOA-JTQLQIEISA-N 313.354 1.685 0 40 DDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](n3cncn3)C2)cs1 75602532 QZSHLNRJRCYMNG-SNVBAGLBSA-N 320.378 1.170 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)NC[C@@H]3CCOC3)C2)n[nH]1 84110945 YLZKXLWCNFVGMS-UONOGXRCSA-N 306.410 1.050 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@@H]1CSc2ccccc21 92237633 YJARHYAWNMTBCX-YGRLFVJLSA-N 309.412 1.952 0 40 DDAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccccc2)n1 557476 GQVOZGTXRNZEFJ-CMDGGOBGSA-N 302.363 1.219 0 40 DDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cnn(-c2ccccc2F)c1C 1548448172 QYKZGEVYJWHKCA-UKRRQHHQSA-N 318.352 1.036 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C(=O)O)c1ccccc1 11755512 DOFPXTVUJKXFOD-NSHDSACASA-N 310.331 1.396 0 40 DDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccncc2)cc1 14021242 UDBFMTUZLJMVDR-UHFFFAOYSA-N 313.313 1.237 0 40 DDAB O=C(NCCCn1ccnc1)c1cnc(-c2ccccc2)[nH]c1=O 19937322 QQYXSLQGHPNXHF-UHFFFAOYSA-N 323.356 1.454 0 40 DDAB CC(C)c1nc2n(n1)C[C@H](NC1CCC3(CC1)OCCO3)CC2 156509456 JMZGUGGFRNXLBX-CQSZACIVSA-N 320.437 1.992 0 40 DDAB O=C(Cn1ccnc1[C@H](O)c1ccccc1)NC[C@H]1CCCO1 154844092 IACVTPGTEMPCFZ-GDBMZVCRSA-N 315.373 1.260 0 40 DDAB CC[C@](CNC(=O)c1cc(C)ncn1)(C(=O)O)c1ccccc1 563518887 GEEWDHHJFHXCTL-QGZVFWFLSA-N 313.357 1.947 0 40 DDAB COc1nc(CNC(=O)C2CCCCC2)nc(N2CCCC2)n1 575603317 DCEZOVXNYANPJO-UHFFFAOYSA-N 319.409 1.677 0 40 DDAB Cc1cc(C(=O)OCC(=O)N2CCc3ccccc3C2)on1 6851800 UTBWSZWVUXVGDG-UHFFFAOYSA-N 300.314 1.725 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cn1 23450701 HGSDCHAPLHRVQP-UHFFFAOYSA-N 319.386 1.109 0 40 DDAB Cc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1 25137854 IFUIDLYNGJXEQB-CQSZACIVSA-N 300.314 1.723 0 40 DDAB O=S(=O)(NCCCc1cnc2ncnn2c1)c1ccccc1 238861230 KSDWUMJICLAQPU-UHFFFAOYSA-N 317.374 1.035 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)NCC4CC4)O[C@H]3C2)C1 1565546646 BLLOGDIAXLNBAA-AUDNPXIKSA-N 320.433 1.565 0 40 DDAB Cn1ccc(N2CCC3(CCN(C(=O)C4(F)CC4)CC3)C2=O)n1 1565544446 LFGUNLZXMUEJHQ-UHFFFAOYSA-N 320.368 1.268 0 40 DDAB COc1cccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)c1OC 20738622 LUPUWXLXCBAOOG-LLVKDONJSA-N 316.317 1.587 0 40 DDAB CCn1cc(C(=O)NC[C@H](Cc2ccc(C)cc2)C(=O)O)cn1 97228538 XINZUUFKVJLZEZ-AWEZNQCLSA-N 315.373 1.885 0 40 DDAB CC(=O)N[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30175830 NVHWCTMGZKMPHL-YGRLFVJLSA-N 319.361 1.267 0 40 DDAB Cc1noc(C)c1CCC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 40489255 HSSXHROCRWSFTO-RYUDHWBXSA-N 309.410 1.449 0 40 DDAB CCCCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21 100845701 BUZBWLAVQCLEMM-UHFFFAOYSA-N 318.373 1.619 0 40 DDAB CC(C)CN1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)CC1=O 40504345 GROGVHSXKIYLOQ-SSDOTTSWSA-N 319.287 1.267 0 40 DDAB O=C(NCCc1ccsc1)c1ccc(N2CCOCC2)nc1 40509517 DXRPDPTYWOTOHY-UHFFFAOYSA-N 317.414 1.952 0 40 DDAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c[nH]1 20564612 CRCAPPWJIQXKHH-UHFFFAOYSA-N 302.258 1.792 0 40 DDAB COc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(C)nn2C)C1 20614165 SHRCIJICOGPVBM-CQSZACIVSA-N 314.345 1.869 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)s1 101765632 XTVVQBXYXJIRIA-ZPFDUUQYSA-N 301.433 1.742 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 32816054 PQKBTKDFSWFKDU-GFCCVEGCSA-N 311.426 1.007 0 40 DDAB CNC(=O)c1ccc(CN(C)c2cn[nH]c(=O)c2Cl)cc1 32806476 LQFKPBYRMZJUBO-UHFFFAOYSA-N 306.753 1.419 0 40 DDAB C[C@@H](SC(F)(F)F)C(=O)NCc1nnc2ccccn12 32914220 FKAGINVOGBJAHT-SSDOTTSWSA-N 304.297 1.987 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 53895126 CFAZBQSTZWKQJZ-SECBINFHSA-N 316.279 1.418 0 40 DDAB Cn1ccnc1CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1 54039264 MSGWALMPMCKGJW-UHFFFAOYSA-N 323.360 1.201 0 40 DDAB CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc[nH]c1=O 54588322 WCWYSSIHPNBUIU-UHFFFAOYSA-N 308.341 1.833 0 40 DDAB COc1cc(NC(=O)CC[C@@H](N)C(=O)O)cc2ccccc12 402916 DUNDTSUHZJULAX-CYBMUJFWSA-N 302.330 1.979 0 40 DDAB CN(C)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 419913 MSZCTWXEOAERET-UHFFFAOYSA-N 318.406 1.438 0 40 DDAB O=C(NC[C@H](O)C1CC1)Nc1cnn(Cc2ccccc2)c1 78964729 BXEXTAFMJCELCB-HNNXBMFYSA-N 300.362 1.824 0 40 DDAB CSCC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)O 1626857 GWKRTTBCKBCWJF-LLVKDONJSA-N 305.359 1.566 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 55199299 UTGLQEGERFUOCY-MLGOLLRUSA-N 318.373 1.296 0 40 DDAB O=C(O)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O 1391161 VNSFTZCYGSMUNT-UHFFFAOYSA-N 309.224 1.916 0 40 DDAB Cn1cc(C(=O)N[C@@]2(C(=O)O)CCSC2)c2ccccc21 43509657 CCNQESLBCKZIQX-HNNXBMFYSA-N 304.371 1.868 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)NC1CCN(CC(C)C)CC1 43794038 HVVYGQKEWPONGF-CYBMUJFWSA-N 312.458 1.321 0 40 DDAB O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 107518742 QLYMMNZOOMHAOU-RBSFLKMASA-N 308.422 1.458 0 40 DDAB C[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)[C@H]1CCCO1 26398662 NHUJHVIDYRRVTO-SMDDNHRTSA-N 302.378 1.972 0 40 DDAB O=C(NCCn1ccnc1)C1(c2ccc(F)cc2)CCOCC1 57211989 CEUKULGDUGYMFZ-UHFFFAOYSA-N 317.364 1.887 0 40 DDAB O=S(=O)(O)[C@H](O)c1cccc(I)c1 1885425 UPXYKLJIKNGBRY-ZETCQYMHSA-N 314.100 1.170 0 40 DDAB Cc1cccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c1C 27393629 KYLGRGITVLSDSC-CABCVRRESA-N 316.401 1.952 0 40 DDAB O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCNC2=O)C1 58048564 QIDDAMDCGWWZRE-ZDUSSCGKSA-N 306.341 1.847 0 40 DDAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)Cn2cccn2)c1 44934069 IJIOVCULPXXGCG-LBPRGKRZSA-N 301.346 1.669 0 40 DDAB O=C(CN1CSCC1=O)NC[C@@H]1CCN(c2ccccc2)C1 27828969 QQFNGNWJLAQGLS-ZDUSSCGKSA-N 319.430 1.162 0 40 DDAB CC(C)c1ccc(O)c(C(=O)Nc2cnn(CC(N)=O)c2)c1 58329293 WMPCABFRKVRWPU-UHFFFAOYSA-N 302.334 1.450 0 40 DDAB NC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccccc1 10463350 QEFCLYJPTSPRIT-UHFFFAOYSA-N 311.341 1.544 0 40 DDAB O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)NC1CCCC1 28115212 UZCIJKGSWJLKIL-ZDUSSCGKSA-N 318.377 1.047 0 40 DDAB Cc1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1 29135718 HFBJMTZRWXJQMK-HNNXBMFYSA-N 314.301 1.108 0 40 DDAB Cc1nnc(S[C@H](C(N)=O)c2ccccc2)c(C(N)=O)c1C 36835062 VIDHTMLLRVJIER-LBPRGKRZSA-N 316.386 1.511 0 40 DDAB C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)[C@H]1CCCO1 2788044 TXBRDJPMJNEOAE-DGCLKSJQSA-N 301.350 1.024 0 40 DDAB Cn1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)n1 48279044 PZYHZFAHEBYBAM-UHFFFAOYSA-N 319.346 1.327 0 40 DDAB O=C(NCc1ccoc1)c1ccc(S(=O)(=O)N2CCCC2)o1 48252250 JHZBTYHORVGHNI-UHFFFAOYSA-N 324.358 1.587 0 40 DDAB O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1 12871555 LYNXZXIRDOCQOC-UHFFFAOYSA-N 309.325 1.991 0 40 DDAB Cc1nn(CC(=O)O)c(C(F)F)c1I 408715252 AFGFDQCZSZGROO-UHFFFAOYSA-N 316.045 1.818 0 40 DDAB CC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 49910270 QVDHHCSRGUHBMV-ZIAGYGMSSA-N 306.406 1.810 0 40 DDAB Cc1cc(NC(=O)NCc2cnn(C)c2)ccc1-n1cnnn1 65443733 VKPXLDWCSOJBLC-UHFFFAOYSA-N 312.337 1.026 0 40 DDAB Cn1ncc2c(=O)[nH]c(CN(Cc3ccsc3)C3CC3)nc21 65415472 OQNLNYOGFKHJJG-UHFFFAOYSA-N 315.402 1.883 0 40 DDAB C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2CCCO2)CC1 65594001 CKFUEPWVYGMGCR-OCCSQVGLSA-N 306.410 1.805 0 40 DDAB CCCn1nnnc1CN(CC)C[C@@H]1COc2ccccc2O1 65622035 QJOBAKQIMWVXKF-CYBMUJFWSA-N 317.393 1.745 0 40 DDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 4548077 HXFZPVBTHKYMHV-RYUDHWBXSA-N 307.394 1.546 0 40 DDAB CC[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)N1CCOCC1 84368143 RVPRJEWUTGZQTK-AWEZNQCLSA-N 315.373 1.535 0 40 DDAB OC[C@@H]1CCCN1c1cc(NCCCOCC2CC2)ncn1 84338698 DNFCXWCMWNFITC-AWEZNQCLSA-N 306.410 1.666 0 40 DDAB CCNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1C 6790106 CTNQFKHNGHXQCF-UHFFFAOYSA-N 309.351 1.013 0 40 DDAB Cn1nc(CC(=O)NCc2ccccn2)c2ccccc2c1=O 7129631 HQERWLHEHWWMJC-UHFFFAOYSA-N 308.341 1.187 0 40 DDAB Cc1cccc(C(=O)N[C@H](C)C(=O)NC[C@H]2CCCC[C@@H]2O)c1 96461454 DGMWDEAOYQFYAH-BMFZPTHFSA-N 318.417 1.781 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1 80514758 SLSICHNNUBSLTI-TXEJJXNPSA-N 304.456 1.887 0 40 DDAB CCOc1ccccc1C(=O)OCC(=O)NC[C@H]1CCCO1 7509403 QCOLZWJSZHAYCB-GFCCVEGCSA-N 307.346 1.537 0 40 DDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cc(F)ccc1F 71847805 IUPVBPHTCHNVHZ-SECBINFHSA-N 303.330 1.406 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)n1 71823496 YKXQYGDUQWJIDZ-CYBMUJFWSA-N 318.381 1.573 0 40 DDAB CCN(CCO)C(=O)CCNC(=O)c1ccc(F)cc1Cl 97367600 VXVSOFQZJNBIHV-UHFFFAOYSA-N 316.760 1.440 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H]1Cc3ccccc3S1)C2 69464570 PYYPDJIUOFESPN-CYBMUJFWSA-N 300.387 1.646 0 40 DDAB Cc1cnn(C[C@H]2CN([C@@H](C)c3nc(C4CC4)no3)CCO2)c1 69486430 YTRIOKNDVXABEV-GXTWGEPZSA-N 317.393 1.914 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C(=O)/C=C/c1cccnc1)C1CC1 71904472 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Cc1ccccc1-n1nccc1NC(=O)NCC(=O)NC(C)C 95984913 GMVTYAXIQWSZFD-UHFFFAOYSA-N 315.377 1.827 0 40 DDAB CCc1c[nH]c(SC[C@@H]2CCCN(S(C)(=O)=O)C2)n1 89282709 OMZHLRRGFMALSI-SNVBAGLBSA-N 303.453 1.736 0 40 DDAB Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(N(C)C)n2)n[nH]1 124254116 XWTOGKZCTKNRJJ-SNVBAGLBSA-N 302.382 1.932 0 40 DDAB Cc1cc(-c2nnc(NC(=O)c3ccc(=O)n(C)n3)o2)c(C)o1 56904947 SHHXWRCRQUPTJE-UHFFFAOYSA-N 315.289 1.292 0 40 DDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1cncnc1 72394830 HIZIHBPGSBOGQW-OAHLLOKOSA-N 312.373 1.442 0 40 DDAB CCS[C@H]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 72535970 ZKNQYZKMRBDTOX-NEPJUHHUSA-N 309.435 1.801 0 40 DDAB CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CN 79391125 FRSRHYQHVXNTJG-UHFFFAOYSA-N 313.442 1.829 0 40 DDAB CCn1c(C(=O)N2CC(N3CCNC3=O)C2)cc2ccccc21 560520612 VSHKLWLETJQEFB-UHFFFAOYSA-N 312.373 1.511 0 40 DDAB Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN(C)C)n1 72378583 PRYOPGXNUMOCKD-CQSZACIVSA-N 314.393 1.196 0 40 DDAB Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccncc2)c1 72321669 NQYOLZUWVODTSF-QBPKDAKJSA-N 312.369 1.398 0 40 DDAB biogenic,in-vitro C[C@H]1CN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)C[C@@H](C)O1 46089159 QJHCTZPGMCNRFF-AOOOYVTPSA-N 306.366 1.018 0 40 DDAB COCC[C@@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 574891262 CDNNVLRAUGVHHS-CYBMUJFWSA-N 307.394 1.026 0 40 DDAB C[C@H](C(=O)N(C)[C@H](C)CS(C)(=O)=O)[C@@H](N)c1ccccc1 195543480 CYUQJCKGOSBDPD-MBNYWOFBSA-N 312.435 1.214 0 40 DDAB O=C(NCCCn1ccnc1)c1nnc2ccc(Cl)cc2n1 46088562 AOQSGDFDHBKFDS-UHFFFAOYSA-N 316.752 1.695 0 40 DDAB O=C(NCCCn1ccnc1)Nc1ccc(-n2nccn2)cc1 48337234 RPTDOFURWSFJNA-UHFFFAOYSA-N 311.349 1.676 0 40 DDAB Cc1cc(NC(=O)CCn2cnc3snc(C)c3c2=O)no1 225576897 XYYDVHFBNCXPQM-UHFFFAOYSA-N 319.346 1.487 0 40 DDAB COc1ccc(C(=O)N2CC[C@@H]3CC[C@@H](C2)N3C(C)C)nn1 195531928 ITGYFDKEYCHGFF-STQMWFEESA-N 304.394 1.573 0 40 DDAB CCS(=O)(=O)N(CC(=O)O)c1ccc2sncc2c1 225008647 PBBZQBRNUZEWRK-UHFFFAOYSA-N 300.361 1.537 0 40 DDAB C[C@@H](CN1CCN2C(=O)C(=O)NC[C@@H]2C1)c1cccc(Cl)c1 195573045 CMVIANPZDWKALS-SMDDNHRTSA-N 321.808 1.086 0 40 DDAB CO[C@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1ccncc1 96200743 OSAATMLDWVXYLR-IRXDYDNUSA-N 311.385 1.878 0 40 DDAB Cn1cc(CN2CC[C@@H]3CN(Cc4cnn(C)c4)C[C@H]3C2)cn1 96249187 WYBRPFLOSGDTJH-IAGOWNOFSA-N 314.437 1.108 0 40 DDAB O=C(C1CCOCC1)N1CC[C@H]2[C@@H]1CCN2Cc1ccccn1 96064031 QBZZIQLVHYUJEC-IRXDYDNUSA-N 315.417 1.683 0 40 DDAB CCn1nc(C)cc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 96427368 NFKDFEPLOAXFEK-HNNXBMFYSA-N 313.357 1.863 0 40 DDAB CN(C)S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 95448600 JAVLVVJIYQGSMP-VIFPVBQESA-N 321.805 1.454 0 40 DDAB CNS(=O)(=O)CC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 97237332 ZVNBUNNIOLPNSW-UHFFFAOYSA-N 324.446 1.418 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 97103044 MYNDNYPPUHIKBW-ZDUSSCGKSA-N 323.393 1.892 0 40 DDAB C[C@H](C(=O)NCCC(=O)Nc1ccncc1)N1CCCCCC1 96436275 OMEABTANNBZZMF-CQSZACIVSA-N 318.421 1.791 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96048648 AQXKOGGDYHGZIW-KRWDZBQOSA-N 316.405 1.578 0 40 DDAB Cc1csc(C(C)(C)NCC(=O)N[C@@H]2CCCCNC2=O)n1 96443399 VENOBTIXBCKQCW-LLVKDONJSA-N 324.450 1.061 0 40 DDAB O=c1cc(CN2CCN(c3ccncc3Cl)CC2)occ1O 96487494 XSOADPKDYGPSOC-UHFFFAOYSA-N 321.764 1.716 0 40 DDAB CC(C)(C)C(=O)N1CCC(CN(CC(N)=O)C(C)(C)C)CC1 97099710 NMDLIJCAJVYACO-UHFFFAOYSA-N 311.470 1.857 0 40 DDAB O=C(O)C1CCN(c2nccn(-c3ccc(F)cc3)c2=O)CC1 96530508 WNUAULKYGWVTPL-UHFFFAOYSA-N 317.320 1.673 0 40 DDAB CC(C)S(=O)(=O)CCN1CCCC[C@H]1CN1CCCC1=O 96455304 KBKDCHKJXKGVDN-AWEZNQCLSA-N 316.467 1.287 0 40 DDAB CC(C)N1CCCC[C@@H]1C(=O)NCC1(O)CCSCC1 96441009 JJJOCNBERPAFJB-CYBMUJFWSA-N 300.468 1.624 0 40 DDAB O=S1(=O)CC[C@@H](c2nn3c(-c4ccncc4)nnc3s2)C1 96232277 INPYNLAVNZQONZ-SECBINFHSA-N 321.387 1.150 0 40 DDAB c1csc(CN2CCc3ncc(CN4CCCC4)n3CC2)n1 96196853 LQHCPAGQMUARRB-UHFFFAOYSA-N 317.462 1.994 0 40 DDAB Cn1cc(CNCCCN2CCOCC2)c(C(F)(F)F)n1 256055241 ZWCDSFANUQCMIC-UHFFFAOYSA-N 306.332 1.251 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@](C)(c2cc[nH]n2)C1 257239693 HQJGEQMMQWUXHX-CQSZACIVSA-N 324.406 1.757 0 40 DDAB CNc1cncc([C@@H]2CCCN2C(=O)CCCn2ccnc2)n1 257274873 NMYNKTIOHDIQBQ-AWEZNQCLSA-N 314.393 1.859 0 40 DDAB Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C)C1)OCC(=O)N2 252478263 AHCYJUXLJQKYFN-JTQLQIEISA-N 324.402 1.747 0 40 DDAB NC(=O)C1CN(C(=O)c2ccc(Cc3ccccc3F)nc2)C1 257249725 JJNCQEKKTWLWBY-UHFFFAOYSA-N 313.332 1.369 0 40 DDAB c1ccc(CN2CC3(CC[C@H](CN4CCOCC4)CO3)C2)nc1 253595518 FMIZHIXGAXVEEN-MRXNPFEDSA-N 317.433 1.395 0 40 DDAB CS(=O)(=O)c1cc(NC(=O)C2CC=CC2)cc(C(=O)O)c1 262771492 MMBWDSNSADWNAG-UHFFFAOYSA-N 309.343 1.693 0 40 DDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(CC1CCCC1)C2 585112964 XELFIKSZLOWCBM-LBPRGKRZSA-N 321.421 1.988 0 40 DDAB O=C(NCC1(OCCO)CCSCC1)c1ccsc1 828765455 QFUYSRXTRVDKJK-UHFFFAOYSA-N 301.433 1.753 0 40 DDAB CC(=O)c1c(C)[nH]c(C(=O)NCCNc2cnccn2)c1C 31599547 VTRWURPQOURFEM-UHFFFAOYSA-N 301.350 1.466 0 40 DDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 44891085 LXBMUUFNMXGKSE-UWVGGRQHSA-N 316.810 1.887 0 40 DDAB CCCCS(=O)(=O)N(C)CC(=O)Nc1cccc(F)c1 48904309 OYMBTVWXVLGBQY-UHFFFAOYSA-N 302.371 1.826 0 40 DDAB CN1CC[C@H](C(=O)NCCOc2ccc3c(c2)CCC3)CC1=O 56009517 WNASCVMOHUILQH-HNNXBMFYSA-N 316.401 1.539 0 40 DDAB CN1CCCC[C@@H]1CCN1CCN(C(=O)c2ccoc2)CC1 75110925 MWTRLJSYNBWLFC-MRXNPFEDSA-N 305.422 1.912 0 40 DDAB NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 5345101 OYSQABBNAQZEPZ-UHFFFAOYSA-N 314.417 1.599 0 40 DDAB CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N 5581075 ABNFDLORJJGDMK-UHFFFAOYSA-N 305.407 1.902 0 40 DDAB COc1ccc(C(=O)N2CC[C@H](C(=O)N3CCCCC3)C2)cn1 19747963 MCSQBFNPKWCDPF-AWEZNQCLSA-N 317.389 1.565 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)N(C)C1=S 8091435 ZLWLZUKVRAXTND-WQLSENKSSA-N 320.370 1.268 0 40 DDAB Cc1cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)ncn1 1888847480 IGBCKJNPRPYIEZ-HUUCEWRRSA-N 322.368 1.406 0 40 DDAB COc1ccccc1C(=O)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888853181 MAFSZVCSVUDVAD-ZIAGYGMSSA-N 324.384 1.694 0 40 DDAB CN(C)c1ccnc(N2CC[C@@H](COc3ccc(F)cn3)C2)n1 1889098051 BDXWGHPJVYGAMO-GFCCVEGCSA-N 317.368 1.982 0 40 DDAB CN(C)c1cc(N2CCN(c3ncnc4[nH]ccc34)CC2)ncn1 1889145763 IULGMVQNIGNGMG-UHFFFAOYSA-N 324.392 1.141 0 40 DDAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1 2037981040 ROXWPUMKGPUXTH-HOCLYGCPSA-N 304.390 1.374 0 40 DDAB COC1(CC(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)CCC1 1565546055 UTFQABPTCXNLBM-UHFFFAOYSA-N 320.433 1.853 0 40 DDAB Cn1ccc2cc(C(=O)N3CCC4(CC3)CNC(=O)C4)ccc21 1565555055 POCCUUGGCPVERE-UHFFFAOYSA-N 311.385 1.921 0 40 DDAB Cc1ccc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)o1 1565556468 JLYLUMMNMBSOKE-UHFFFAOYSA-N 323.356 1.977 0 40 DDAB CN(C)C(=O)C1(n2cccn2)CCN(Cc2nccs2)CC1 2055772618 FFQBOWHTWXHPJY-UHFFFAOYSA-N 319.434 1.419 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CC(OC[C@H]2CCOC2)C1 1775966246 VTDAUOZQOQCSDT-BLLLJJGKSA-N 319.357 1.090 0 40 DDAB Cc1nc(CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)co1 2086886928 FBBOYXYSLDQWTR-ZDUSSCGKSA-N 313.423 1.371 0 40 DDAB Cn1ncc2c(N3CCC(Oc4nccs4)CC3)ncnc21 2086889137 FAXLIMLRCXNKTK-UHFFFAOYSA-N 316.390 1.868 0 40 DDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 2393166 TXVLZZURLLFWIE-XJIUQZFPSA-N 305.374 1.664 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@@](O)(C(F)(F)F)C1 77990105 CMIVDRBOMQBNEB-LBPRGKRZSA-N 307.243 1.730 0 40 DDAB Nc1nc(N)nc(COC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 50017739 DXUASHWZAVDYLY-NXEZZACHSA-N 319.752 1.536 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c(C)c1 32854330 BPVACJXDXKFFKI-UONOGXRCSA-N 318.373 1.470 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccccc1Cn1cncn1 33106876 PKAWMPNBJRJYAZ-UHFFFAOYSA-N 311.345 1.861 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccoc2)cc1 52747036 LKQIPEQUUWJNNR-UHFFFAOYSA-N 309.343 1.887 0 40 DDAB Cc1noc(C)c1C(=O)N1CCN(c2ccccc2O)CC1 33002104 BYZBNCODGHFKJU-UHFFFAOYSA-N 301.346 1.959 0 40 DDAB CCc1nnsc1C(=O)NC[C@H](C(C)C)N1CCOCC1 42028756 QLDRACBSCDHWQX-GFCCVEGCSA-N 312.439 1.187 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CN(CCC(=O)NC(N)=O)C2CC2)o1 42145864 RHBJQULRWLKGKM-GWCFXTLKSA-N 305.378 1.952 0 40 DDAB Cc1cc(Br)oc1C(=O)N1CC[C@@H](C(N)=O)C1 53895086 ZHAGWPTYPSYFPV-SSDOTTSWSA-N 301.140 1.298 0 40 DDAB Cc1cc(C)n(Cc2cccc(CNC(=O)Cn3cncn3)c2)n1 54031765 VBXVLOVYJAEHTQ-UHFFFAOYSA-N 324.388 1.456 0 40 DDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n(C)n1 42365405 WQSCPJLDYHZXOT-GFCCVEGCSA-N 313.361 1.111 0 40 DDAB O=S(=O)(Cc1ccccc1)NC[C@@H]1COc2ccccc2O1 264404 DYAVMGQERWDQCA-CQSZACIVSA-N 319.382 1.946 0 40 DDAB Cc1nc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)sc1C 78967676 ZSVHQADRGSGOBW-SECBINFHSA-N 314.436 1.571 0 40 DDAB CC(C)C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1570254 BQVUABVGYYSDCJ-DZGCQCFKSA-N 317.389 1.653 0 40 DDAB endogenous,in-man C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 1576135 XMVYSQUPGXSTJR-DGCLKSJQSA-N 320.345 1.377 0 40 DDAB COc1ncccc1NC(=O)NCCn1cnnc1C1CC1 79064520 GFPHYOYIWPESRX-UHFFFAOYSA-N 302.338 1.381 0 40 DDAB COCCN1CCN(c2nncc(-c3ccccc3C)n2)CC1 55166587 NTOPSEJYUAIAAH-UHFFFAOYSA-N 313.405 1.615 0 40 DDAB COC(=O)CCCN(C)S(=O)(=O)c1cccc2cnccc12 55244721 BMLXZDSXABTMAD-UHFFFAOYSA-N 322.386 1.809 0 40 DDAB O=C(CN1CCC(NC(=O)NC2CCCCC2)CC1)NC1CC1 4401472 UGVVFTADTVBREL-UHFFFAOYSA-N 322.453 1.361 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3csc(C)n3)C[C@@H]2C)CC1 107141915 DKQQVUJYQDEYFU-LRDDRELGSA-N 322.478 1.436 0 40 DDAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 57220728 MXTRRBRRAFDCOP-LLVKDONJSA-N 304.346 1.546 0 40 DDAB COc1ccc([C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1F 44261673 JHJDVRSOCUIOAY-LBPRGKRZSA-N 322.336 1.732 0 40 DDAB CC(C)c1cc(C(=O)NCCN2CCOCC2)nn1C(C)(C)C 44268643 HWFCERSPGHULOA-UHFFFAOYSA-N 322.453 1.824 0 40 DDAB CC(C)N1CCC2(CC1)NC(=O)c1sccc1-n1nnnc12 35615798 KRCYOOFKMSAKIJ-UHFFFAOYSA-N 318.406 1.167 0 40 DDAB Cc1ccccc1NC(=O)CN1C(=O)NC2(CCOCC2)C1=O 57947273 PRUBRGBRQCOGCT-UHFFFAOYSA-N 317.345 1.035 0 40 DDAB CCCCCc1nnc(NC(=O)C2=NN(C)C(=O)CC2)s1 27449774 YYJPJKDQKALQIW-UHFFFAOYSA-N 309.395 1.818 0 40 DDAB O=C(CN1CCN(C(=O)c2ccoc2)CC1)NC1CCCC1 27466490 VZMMDGWGRPUJLD-UHFFFAOYSA-N 305.378 1.096 0 40 DDAB O=C(NCCCN1CCCCCC1=O)c1cc(C2CC2)[nH]n1 44908201 IRWRGVLEKJQNFF-UHFFFAOYSA-N 304.394 1.810 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccncc2)c1 44916197 GRYPWWIPLHSQKG-UHFFFAOYSA-N 319.386 1.262 0 40 DDAB CC(C)C(=O)Nc1ccc(CNC(=O)c2cc[n+]([O-])cc2)cc1 58394234 DDSMUUDCETWCMZ-UHFFFAOYSA-N 313.357 1.845 0 40 DDAB O=C(COc1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 58326182 IQYPQWLEKPDZFL-UKRRQHHQSA-N 324.808 1.698 0 40 DDAB CC(C)Cc1nc(CN2CCC(N3CCNC3=O)CC2)no1 52217160 XEBVTGLKCPFTKT-UHFFFAOYSA-N 307.398 1.258 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cc(F)cc(F)c1 11050544 KCEJTQWIAPTLJX-UHFFFAOYSA-N 322.315 1.688 0 40 DDAB CC(C)c1noc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)n1 29136526 YKODFFQNNGOQJU-UHFFFAOYSA-N 306.322 1.426 0 40 DDAB CCCN(CCC)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC 29518305 VHJZQUJKNCGULY-UHFFFAOYSA-N 318.377 1.367 0 40 DDAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCCOc1ccccc1 29854574 OQXOMHLJKFAMEK-CYBMUJFWSA-N 319.405 1.764 0 40 DDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2ccn[nH]2)C1 72282837 YOOXCXISQCMTTC-RYUDHWBXSA-N 302.378 1.127 0 40 DDAB Cc1ccc(CNC(=O)CNC(=O)NC2CCCCC2)n1C 72281710 WJPATRZMXUCGSZ-UHFFFAOYSA-N 306.410 1.582 0 40 DDAB CN(Cc1ccccc1)C[C@@H](O)CN1CCc2cncnc2C1 72253897 GLTCTWMAHLFFDT-QGZVFWFLSA-N 312.417 1.328 0 40 DDAB Cc1c([C@H](C)NC(=O)NCc2cccnc2N(C)C)cnn1C 48252685 IUTHDSSOVAZKOL-NSHDSACASA-N 316.409 1.750 0 40 DDAB COCc1ccc([C@H]2CCCN2C(=O)Nc2ncnn2C)o1 97161759 PMWUXYVVTWECCL-LLVKDONJSA-N 305.338 1.924 0 40 DDAB CCn1nc(Oc2nc(NCC(C)C)nc(OC)n2)ccc1=O 27679593 KOIWAXPMEJVXFK-UHFFFAOYSA-N 320.353 1.317 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](NC(C)=O)C(C)C 12924519 JLJRKSMVYUOSSJ-OAHLLOKOSA-N 321.377 1.753 0 40 DDAB C[C@@H](Sc1nncs1)C(=O)NC[C@H](O)c1ccccc1 48911794 PVBACJOLUDRCHH-KOLCDFICSA-N 309.416 1.869 0 40 DDAB Brc1cnn(CN2CCN(c3ccccn3)CC2)c1 49319887 SBVKFHCERYINDH-UHFFFAOYSA-N 322.210 1.820 0 40 DDAB O=C1[C@H]2Cc3ccccc3CN2C(=O)CN1Cc1ccccc1 4030020 DUAZXOXUWBRAIA-QGZVFWFLSA-N 306.365 1.982 0 40 DDAB biogenic CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)NC1CCCCC1 71405372 FAVZGTIURBCGKQ-SECBINFHSA-N 312.395 1.190 0 40 DDAB COc1ccccc1OCCNC(=O)N[C@@H](C)c1nncn1C 65429036 KUCOHECHJHVAHR-NSHDSACASA-N 319.365 1.263 0 40 DDAB Cc1cccn2cc(CC(=O)N3CCCN4CCC[C@H]4C3)nc12 65606457 GUOXGJIJANXBGI-INIZCTEOSA-N 312.417 1.882 0 40 DDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)[nH]1 14190542 OVYXFYVRYAFEBA-UHFFFAOYSA-N 317.345 1.548 0 40 DDAB CN(CC(=O)Nc1cccc(F)c1)c1ncnc2c1cnn2C 14214627 BHFQKTFVGLNOFO-UHFFFAOYSA-N 314.324 1.577 0 40 DDAB C[C@H]1CCc2nc(NC(=O)c3ccc(=O)n(C)n3)sc2C1 6590668 INIOPKCJMRPIHB-QMMMGPOBSA-N 304.375 1.614 0 40 DDAB COc1nc(C)ccc1CNC(=O)NCCCn1ccnc1 66150307 CZCDEJKXTLDUKF-UHFFFAOYSA-N 303.366 1.485 0 40 DDAB CN(CCCNC(=O)c1cnn(C)c1N)c1cccc(F)c1 97375339 RATQWLDDOIISLF-UHFFFAOYSA-N 305.357 1.398 0 40 DDAB CC[C@H]1CN(c2ncnc3sccc23)CCN1C[C@@H](C)O 71859506 YMTBFYTVMHPFSL-NEPJUHHUSA-N 306.435 1.973 0 40 DDAB COc1ccccc1OCCNC(=O)C1CCN(C(C)=O)CC1 8428379 WPUYVERXGNWQRI-UHFFFAOYSA-N 320.389 1.449 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CCc2c(ncn2C2CC2)C1 69565322 BLRSYOTTXZVFMT-GJZGRUSLSA-N 321.421 1.133 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 69599364 FQFITCTXUGENNL-CYBMUJFWSA-N 324.446 1.990 0 40 DDAB CC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)Nc1nccs1 91840404 QMRZJWFNGRALFX-NSHDSACASA-N 321.406 1.660 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)CCC2 8510882 UXWMIJLDSWIEFJ-UHFFFAOYSA-N 310.419 1.322 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 69706549 JNUHRMZJPYUMQN-LLVKDONJSA-N 316.336 1.349 0 40 DDAB Cc1nc(CN2CCCN(C(=O)C3CCOCC3)CC2)cs1 69743746 HMGLXCZWEYJKKA-UHFFFAOYSA-N 323.462 1.912 0 40 DDAB CN(CCOc1ccc(F)cc1)S(=O)(=O)[C@H]1CCOC1 69703159 PGJBWJLSNUFDHS-ZDUSSCGKSA-N 303.355 1.255 0 40 DDAB NC(=O)c1csc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1 69870955 WQMMZAWQTITKHL-LLVKDONJSA-N 304.375 1.521 0 40 DDAB COc1ccnc(N2CCN(c3nc(C)cs3)[C@@H](C)C2)n1 69873642 ATYQXONMZRIABI-NSHDSACASA-N 305.407 1.965 0 40 DDAB CCCOc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 18173743 OWMPCEDLTUKQPF-NSHDSACASA-N 307.375 1.970 0 40 DDAB CC(C)c1nc(CN2CCCN([C@@H]3CCOC3=O)CC2)no1 69967245 GKCQYAFVKDOVGK-GFCCVEGCSA-N 308.382 1.016 0 40 DDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N1CCc2ccccc21 8748658 WEYXJKBHFAIKIG-MRVPVSSYSA-N 316.390 1.106 0 40 DDAB CCN1CN=C(Nc2nc(C)c3cc(OC)ccc3n2)NC1 8738034 SEISBLDIXHEGST-UHFFFAOYSA-N 300.366 1.555 0 40 DDAB C[C@@H](C[S@@](C)=O)NC(=O)NCCc1ccc(F)cc1F 97086268 MAVOTNSEXIFJGI-LXGOIASLSA-N 304.362 1.574 0 40 DDAB C[C@H]1CCCN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)C1 9053763 JCNMQCQCNPGKQT-NSHDSACASA-N 319.336 1.901 0 40 DDAB Cc1nn(C)c(C)c1C(=O)NC[C@](C)(O)c1ccc(F)cc1 89228885 CQNBPAQREZZUCS-INIZCTEOSA-N 305.353 1.814 0 40 DDAB Cc1ccc(C[S@](=O)CC(=O)N[C@@H](C)C(=O)N(C)C)cc1C 89643208 BDAAJFZSYQNYAQ-WHEQGISXSA-N 324.446 1.145 0 40 DDAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)[C@H](C)OC 75611216 FWOLFMGNUREZMN-ZDUSSCGKSA-N 321.421 1.416 0 40 DDAB C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1N1CCOCC1 76053769 NVPVAEZUJBDNBV-OWCLPIDISA-N 310.438 1.515 0 40 DDAB COc1c(C)cnc(CN2CCc3nn(C)c(=O)cc3C2)c1C 76064690 NXUZIJLLFJLRPQ-UHFFFAOYSA-N 314.389 1.359 0 40 DDAB C[C@H](CNC(=O)CCc1nc(-c2ccco2)no1)C[C@@H](C)O 76019576 ZJLCEOQBLQZOHB-WDEREUQCSA-N 307.350 1.785 0 40 DDAB C[C@H](Cc1ccsc1)NC(=O)NC[C@](C)(O)c1cnn(C)c1 76021075 NDWICRRGHKTBOZ-ABAIWWIYSA-N 322.434 1.620 0 40 DDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1cccnc1 27976248 MFNFKZRMEIRAPR-LBPRGKRZSA-N 324.344 1.141 0 40 DDAB C[C@@H]1CC[C@H](CNc2cc(N3CCN(C)C(=O)C3)ncn2)C1 530483481 PWZWHLNNYQDBBE-OLZOCXBDSA-N 303.410 1.603 0 40 DDAB COCCn1cnnc1C1CCN(c2cc(C)ncn2)CC1 72364102 JYEGHMOKJFEYMA-UHFFFAOYSA-N 302.382 1.407 0 40 DDAB C[C@@H]1CN(CC(=O)Nc2nncs2)CCN(C2CCC2)C1 555666077 JHRCZRSBJQOZQE-LLVKDONJSA-N 309.439 1.283 0 40 DDAB COc1ccc(S(=O)(=O)NCCCN(C)C)c(C)c1C 74935869 DUEDYKLFEVLXSR-UHFFFAOYSA-N 300.424 1.542 0 40 DDAB CCCNc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217595895 UEHVFAMSTLUFIH-UHFFFAOYSA-N 316.379 1.131 0 40 DDAB CCOC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218088691 XOXMMNSDYLEMSJ-ILXRZTDVSA-N 313.419 1.330 0 40 DDAB CNC(=O)c1cccc(CN2CCOC[C@@H]2c2cccn2C)c1 131840320 FAUNWIAIMBYRTH-QGZVFWFLSA-N 313.401 1.958 0 40 DDAB O=C(NCCN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccn[nH]1 130366461 LHQFJPHCEPHVEM-ZJUUUORDSA-N 304.316 1.850 0 40 DDAB C[C@@H](NC(=O)c1csc(CCN)n1)c1nnc2n1CCCC2 569342106 QSLPZWOUCROGQO-SECBINFHSA-N 320.422 1.063 0 40 DDAB CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 45164773 XIFRAKCSRVBUGP-UHFFFAOYSA-N 321.396 1.356 0 40 DDAB CO[C@@H](C)CS(=O)(=O)NCc1cn(-c2ccccc2)nc1C 195449165 MZNKLNSAPIVVNQ-LBPRGKRZSA-N 323.418 1.635 0 40 DDAB Cc1nc(N2CCCC2)nc2c1CN(S(=O)(=O)C1CC1)CC2 96253849 QRYBQNNWQGNMQD-UHFFFAOYSA-N 322.434 1.236 0 40 DDAB CN(C)CCn1ccc(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n1 97233179 VCPZKRKGAOXLBF-GFCCVEGCSA-N 323.441 1.912 0 40 DDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccs1 96041555 HHJVVHBOXWGRFB-SQWLQELKSA-N 324.446 1.585 0 40 DDAB O=C(c1cocn1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96214947 MNKIVXYLTRVDLG-CJNGLKHVSA-N 315.329 1.522 0 40 DDAB O=C(CCc1nc(-c2ccncc2)no1)NCCc1c[nH]cn1 96116763 DGXYUMYSOSTLDE-UHFFFAOYSA-N 312.333 1.146 0 40 DDAB Cc1ccnc(NC(=O)c2cccc(OCc3nnnn3C)c2)c1 96101335 VNXANZULGQQQHA-UHFFFAOYSA-N 324.344 1.745 0 40 DDAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc2ccccc2c1 95883198 PYUFGFZTDDLMLZ-HIFRSBDPSA-N 315.325 1.265 0 40 DDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 96042999 SUJJDKVWWVQPNV-BHYGNILZSA-N 300.402 1.945 0 40 DDAB CCOCCN1CC[C@H]2C[C@H](C(=O)N3CCCCO3)O[C@@H]2C1 96066167 HLZSFSOWBKMQKI-RRFJBIMHSA-N 312.410 1.056 0 40 DDAB O=C(NCC(=O)N1CCOCC12CCC2)c1cc(F)cc(F)c1 97095688 OMTQUQVRJIHLLV-UHFFFAOYSA-N 324.327 1.476 0 40 DDAB COc1ccc(S(=O)(=O)NCCN[C@@H]2CCC[C@@H]2C)cc1 95410400 ALTXAXHUSIFUPW-SWLSCSKDSA-N 312.435 1.752 0 40 DDAB Cn1ccnc1CN1CCc2ncnc(N3CCCC3)c2CC1 96255440 ZDQAKZXKDSVGFX-UHFFFAOYSA-N 312.421 1.411 0 40 DDAB C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)NCCN1CCOCC1 96421410 AEAUODVEZXUHDI-HIFRSBDPSA-N 323.462 1.968 0 40 DDAB CCN1CCO[C@@H](C(=O)N2CCc3cc(F)ccc3[C@H]2C)C1 252582023 YUIUZEGWARHNFE-MLGOLLRUSA-N 306.381 1.992 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(Cc3csc(C)n3)CCO2)n1 257264609 LVFUXZDXXZWDAG-ZDUSSCGKSA-N 306.391 1.829 0 40 DDAB Cc1nc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)co1 257268084 MKDFSUUHTKDPRJ-LBPRGKRZSA-N 315.377 1.840 0 40 DDAB CC(=O)N1CCN(C(=O)C2CCOCC2)C[C@H]1c1ccccc1 257241613 HYTKQBAVUFXSPQ-KRWDZBQOSA-N 316.401 1.845 0 40 DDAB CN1C[C@@H](C(=O)N2CCC(C)(c3nccs3)CC2)CC1=O 257335543 YKPSUSHBCDQECP-NSHDSACASA-N 307.419 1.502 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cccnn1 257224923 FDYVJOUIGMLSDI-CYBMUJFWSA-N 313.361 1.049 0 40 DDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2c[nH]cn2)n1 257200709 AEOUWSNOOJAOEY-HNNXBMFYSA-N 300.410 1.907 0 40 DDAB COc1cc(NC(=O)N2CCNC2=O)ccc1N1CCCC1=O 96098373 ZFXSFVLBZMRVFW-UHFFFAOYSA-N 318.333 1.379 0 40 DDAB CC(C)Oc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCO1 298131493 XXTVUYBZOCOHKE-AWEZNQCLSA-N 320.389 1.385 0 40 DDAB CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1nccnc1N 390835270 ISXZGHOZAOPMPO-HNNXBMFYSA-N 306.366 1.397 0 40 DDAB CCOC(=O)N1CCC(N2C(=O)N3CCC[C@@]3(C)C2=O)CC1 390833236 DXRVIJGDTBLYPQ-HNNXBMFYSA-N 309.366 1.424 0 40 DDAB CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H]1COC[C@@H](O)[C@H]1O 585291505 PMQXHGYNADQFRM-HONMWMINSA-N 320.216 1.793 0 40 DDAB CCc1nc(C)c(CN2CCC[C@]2(COC)CC(=O)NC)[nH]1 585278399 SLWXQKUKBXRNJF-MRXNPFEDSA-N 308.426 1.398 0 40 DDAB COc1ccc(CC[C@]2(C)NC(=O)N(CCCO)C2=O)cc1 69173175 AWGDHNAVJJVBQB-INIZCTEOSA-N 306.362 1.321 0 40 DDAB CN1CCO[C@H](CNCc2csc(Br)c2)C1 69384208 JJPLUPVGNCFRLL-SNVBAGLBSA-N 305.241 1.931 0 40 DDAB Cc1nnc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)s1 71875612 WAXSJVWIPMFSAU-LLVKDONJSA-N 306.395 1.146 0 40 DDAB COc1cccc(CC(=O)N2CCN(CC(F)(F)F)CC2)c1 44448627 ZWMMSRGHSNRCDF-UHFFFAOYSA-N 316.323 1.944 0 40 DDAB COc1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)cc1Cl 77108068 FGDJRVHJYFHJAT-GFCCVEGCSA-N 319.810 1.788 0 40 DDAB O=C(NC[C@@H](O)CO)Nc1cc(F)ccc1Br 91180605 RHKKNICYJXCROY-SSDOTTSWSA-N 307.119 1.063 0 40 DDAB COCC(C)(C)N1CCN(Cc2ccsc2C(=O)O)CC1 519761491 UHROJHFNPSHJSD-UHFFFAOYSA-N 312.435 1.989 0 40 DDAB COc1ncc(Cl)c(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 95970980 YBCIZZXURUCSPL-UWVGGRQHSA-N 310.785 1.443 0 40 DDAB Cc1cc(=O)c(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c[nH]1 96487079 KZGAFENCNPLPDF-NRFANRHFSA-N 308.334 1.812 0 40 DDAB COc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1F 5429927 MJRIEOCLBLDUBX-UHFFFAOYSA-N 322.292 1.216 0 40 DDAB CC(=O)Nc1ccc(SCC(=O)Nc2nnc(C)s2)nn1 11027493 APUSMJSIIGCHNQ-UHFFFAOYSA-N 324.391 1.326 0 40 DDAB CCN(CC)C(=O)CN1CCC(n2cnc3cccnc32)CC1 12114640 IURRUFZHOYOCMA-UHFFFAOYSA-N 315.421 1.937 0 40 DDAB O=C([C@@H]1CCCO1)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 12115795 KMNQGDKOXNHDFP-STQMWFEESA-N 313.361 1.709 0 40 DDAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 13580386 VAKLEIYOHUEXEK-LLVKDONJSA-N 310.419 1.927 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1 15756496 GFWPKGPHILGSOJ-UHFFFAOYSA-N 322.390 1.197 0 40 DDAB Nc1nc(N)c2nc(/C=C\c3ccc4c(c3)OCO4)cnc2n1 17061997 VWHZHTYRPRNUHS-IWQZZHSRSA-N 308.301 1.483 0 40 DDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)[C@@H]1CCCO1 225807947 SMPIAEYUXMEUJJ-VIFPVBQESA-N 314.267 1.543 0 40 DDAB O=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)NC1CC1 7026624 DJGMEZVWWCBRQV-UHFFFAOYSA-N 315.358 1.984 0 40 DDAB C[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 12460397 PQPGQUYGDZTFDH-LBPRGKRZSA-N 315.373 1.338 0 40 DDAB Cc1ccc(N2CC(N(C)c3nccc(C(F)(F)F)n3)C2)nn1 1888842616 ALYNUWCJFPCXOG-UHFFFAOYSA-N 324.310 1.919 0 40 DDAB CS(=O)(=O)NCCCN[C@H]1CCC[C@@H](C(F)(F)F)C1 129215030 CUEJPTNVWQEOHS-ZJUUUORDSA-N 302.362 1.636 0 40 DDAB COc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1 27936727 DMWOZOIUUQALFW-UHFFFAOYSA-N 315.782 1.561 0 40 DDAB O=C(c1cnccn1)N1CCC(O)(COc2ccccc2)CC1 2037905552 DOIOWJDZWZSYBF-UHFFFAOYSA-N 313.357 1.523 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100026847 WRNZHKUBWSDTRF-UKRFAEJPSA-N 322.364 1.693 0 40 DDAB CN1CCO[C@H]2CN(C(=O)c3cnn4ccccc34)CC[C@H]2C1 1565550400 BZRWODLXICYPCD-BBRMVZONSA-N 314.389 1.127 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CCN1c1cncnc1 1565545100 VVPTVOCXNFMVDY-YPMHNXCESA-N 318.352 1.180 0 40 DDAB COc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)on2)cc1 10219381 GADFPKSPYDZGBP-UHFFFAOYSA-N 310.331 1.404 0 40 DDAB O=C(Nc1nnc(-c2ccno2)o1)c1ccc2c(c1)OCO2 12234648 OVRRMWCWMNYUPN-UHFFFAOYSA-N 300.230 1.706 0 40 DDAB Cc1csc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 2086884328 CBODFSVGJIFSAJ-JTQLQIEISA-N 301.437 1.502 0 40 DDAB CN(C)S(=O)(=O)N1CCS[C@H](c2ccccc2)CC1 208043866 WLQXUQCGJILENI-ZDUSSCGKSA-N 300.449 1.973 0 40 DDAB O=C(Cc1ccsc1)NCCn1ccnc1-c1cnccn1 575610073 RWBBSGSFRSTHFH-UHFFFAOYSA-N 313.386 1.761 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c1C 22356996 ZGKNBKOLTUOROR-UWVGGRQHSA-N 308.378 1.710 0 40 DDAB CC1CCN(C(=O)[C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 30009885 GIKCBJXJVSXAQY-LLVKDONJSA-N 302.378 1.915 0 40 DDAB COc1ncccc1CNC(=O)CSc1nc(C)cc(C)n1 30307401 JUYVNZMTSKDSRZ-UHFFFAOYSA-N 318.402 1.906 0 40 DDAB NC(=O)CC1CCN(C(=O)NCc2cccc3c2OCO3)CC1 50126187 WOOADEKKIGDRPM-UHFFFAOYSA-N 319.361 1.212 0 40 DDAB NC(=O)CCCNC(=O)c1ccn(-c2ccccc2Cl)n1 50314949 WGRXEHCBNODPSN-UHFFFAOYSA-N 306.753 1.521 0 40 DDAB C[C@H](C(=O)Nc1cccnc1)N(c1ccccc1)S(C)(=O)=O 79979 UHZQGVMQIWDOKW-GFCCVEGCSA-N 319.386 1.875 0 40 DDAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nncs2)C1 40456994 WLIAZYRVPVTMIV-VIFPVBQESA-N 315.420 1.432 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 40553891 IJMSNXHXCWEZRV-HUUCEWRRSA-N 300.362 1.601 0 40 DDAB C[C@H](OCCCNS(=O)(=O)c1cnn(C)c1)c1ccccc1 40528085 YGXFVPPYULVYGI-ZDUSSCGKSA-N 323.418 1.866 0 40 DDAB CC(C)C[C@@H](NC(=O)Cc1noc2ccccc12)C(=O)N(C)C 40536325 RYUKQGYKMAUCCU-CQSZACIVSA-N 317.389 1.989 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 51381736 NLSHXUKNHLZEJE-WMLDXEAASA-N 320.389 1.531 0 40 DDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2C12CCCCC2 20763163 VGDFNPZIRRDNNE-UHFFFAOYSA-N 306.366 1.310 0 40 DDAB biogenic Cc1ccn2c(=O)cc(Cn3nnc4ccccc4c3=O)nc2c1 21326098 PSCXYRKYTOMODF-UHFFFAOYSA-N 319.324 1.156 0 40 DDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccn(C)n1 32778138 NMKWSUZHBJMODJ-LBPRGKRZSA-N 306.391 1.875 0 40 DDAB COC(=O)CCCNC(=O)c1ccc(-n2nccc2C)cc1 32744522 OKGBMZLCMQQHMC-UHFFFAOYSA-N 301.346 1.864 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)NC1=NCCS1 32737979 LOFPWOISUNGPEO-UHFFFAOYSA-N 302.359 1.714 0 40 DDAB O=C(NCC1CC1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 52360082 BLNAEPNXWBMCTJ-NSHDSACASA-N 300.366 1.096 0 40 DDAB Cc1ccsc1CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52799239 INXYWCLDHSAHCA-UHFFFAOYSA-N 303.391 1.659 0 40 DDAB CSc1ccc(NC(=O)C(=O)NCCCn2cncn2)cc1 41416680 BYLJQVGNAHNKPI-UHFFFAOYSA-N 319.390 1.145 0 40 DDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@@H]2CCC[C@H]21 53373098 SSVQSQWAUREFJR-VXGBXAGGSA-N 319.386 1.238 0 40 DDAB CC(=O)N[C@H](C(=O)NCc1nnc2ccccn12)C1CCCC1 53464782 VPSRPSYJOKPSOC-HNNXBMFYSA-N 315.377 1.040 0 40 DDAB CCN(CC)[C@H](C)CNC(=O)c1cccnc1N1CCOCC1 41915170 GDJATMGADSCXES-CQSZACIVSA-N 320.437 1.378 0 40 DDAB COC(=O)/C=C\C(=O)N1CCN(c2ccccc2OC)CC1 33910254 XNZWZPZMTLDUNQ-FPLPWBNLSA-N 304.346 1.073 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccncc1 42869245 BOWHARVAELGDDF-CHWSQXEVSA-N 309.391 1.115 0 40 DDAB CC(C)Oc1ccc(-c2noc(C(=O)NCCCO)n2)cc1 12406663 VGUDVPSHVJSNGM-UHFFFAOYSA-N 305.334 1.636 0 40 DDAB CNC(=O)[C@@H](C)Sc1nnc2ccc(C(F)(F)F)cn12 24145996 WQBRULNHKPZCEK-ZCFIWIBFSA-N 304.297 1.975 0 40 DDAB NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cccn2)ccn1 79015830 JOIRMZJFQZXHJC-OLZOCXBDSA-N 313.361 1.041 0 40 DDAB Cc1ccc(OCCNC(=O)CN2CCSC2=O)c(C)c1 9155930 YLFUWDVCYTUXBK-UHFFFAOYSA-N 308.403 1.967 0 40 DDAB COc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1OC 3533660 SZNBZDUSLOOXLR-UHFFFAOYSA-N 314.341 1.984 0 40 DDAB CCCCNC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 3893349 YFXSXIWQLRKCQN-QWHCGFSZSA-N 305.447 1.942 0 40 DDAB CCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 6427632 BXSZSJTUIPBTLQ-UHFFFAOYSA-N 322.405 1.669 0 40 DDAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCO1 56273091 VDVXCAOYVCLSMC-CABCVRRESA-N 305.374 1.846 0 40 DDAB COCCN1CC[C@]2(CCCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1=O 108533606 ZVXKKQJTGUNRMI-GRDNDAEWSA-N 308.422 1.520 0 40 DDAB CC(=O)Cc1c(C(=O)O)nnc2c(-c3ccccc3)c(C)nn12 20674474 KBYUUEWVFQKICC-UHFFFAOYSA-N 310.313 1.929 0 40 DDAB COc1cc(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1C 44891677 ZJGWHVMCZBPOQW-CYBMUJFWSA-N 311.403 1.192 0 40 DDAB Cc1cccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)O)C2=O)c1C 100855784 UEVMKVWSABEJEG-JQWIXIFHSA-N 322.386 1.080 0 40 DDAB CNC(=O)c1cccc(CNCc2c(C)nn(C)c2OC)c1 58428921 ZKYUQMGOOLHUIX-UHFFFAOYSA-N 302.378 1.387 0 40 DDAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cnccn2)C1 58418027 VSYNHWKVSAIWIE-LBPRGKRZSA-N 320.393 1.854 0 40 DDAB CN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1F 36300174 DOBLPCNFAOXFIX-UHFFFAOYSA-N 306.790 1.852 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 45749330 WCHUGAFDUQEUKF-NHYWBVRUSA-N 320.364 1.863 0 40 DDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C(C)C)N(C)C)C1 46194710 UNOJEIJJWGAPDC-CABCVRRESA-N 311.470 1.583 0 40 DDAB COc1ccccc1[C@H](O)CNC(=O)NCCc1cnn(C)c1 46993023 CPXUVMZLXFYJGR-CQSZACIVSA-N 318.377 1.004 0 40 DDAB C[C@H](C(=O)N[C@H](C(N)=O)c1ccccc1)n1cnc2ccccc21 48126866 VUPQDHFZQBOWCX-WBMJQRKESA-N 322.368 1.940 0 40 DDAB CCN1CCN(CC(=O)c2c[nH]c3cc(OC)ccc23)CC1 20394594 NOWSCZKDZZFZIA-UHFFFAOYSA-N 301.390 1.997 0 40 DDAB C[C@H](NC(=O)NCCCCc1cnn(C)c1)C1CCOCC1 95416779 OBNUUHMCCSKWDI-ZDUSSCGKSA-N 308.426 1.857 0 40 DDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCSCC1 48600686 ABOCGMFQJUIBIP-UHFFFAOYSA-N 312.826 1.919 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600933 PPGKIYAVGSPDTA-QGZVFWFLSA-N 315.373 1.295 0 40 DDAB O=C(NCCN1CCOCC1)c1cc(-c2cccs2)n[nH]1 65415628 PKASYAYPDJHIHU-UHFFFAOYSA-N 306.391 1.200 0 40 DDAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(N)=O)cc1 14075982 NXTHAPRGUIPPJG-UHFFFAOYSA-N 322.361 1.745 0 40 DDAB C[C@@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 14093240 LDXXDVCCIGJVSB-VXGBXAGGSA-N 315.373 1.492 0 40 DDAB Cc1nn(C)c(N(C)C)c1CN[C@@H](CC(C)C)C(=O)N(C)C 65554334 FJMDTQUXSQSALN-AWEZNQCLSA-N 309.458 1.387 0 40 DDAB COc1c(CNC[C@@H](O)c2ccc(F)c(F)c2)c(C)nn1C 65575964 IYOVDBOAEVPGBK-CQSZACIVSA-N 311.332 1.839 0 40 DDAB CN(C)C(=O)[C@H]1CSCN1C(=O)Cc1ccc(Cl)cc1 66657644 DBSXDMJQWSRNNH-GFCCVEGCSA-N 312.822 1.872 0 40 DDAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC)C2=O)cc1 7126250 ZHVNUQDTLWIZQX-MRXNPFEDSA-N 303.362 1.152 0 40 DDAB NC(=O)[C@H]1CCCN1[C@H](C(=O)O)c1c[nH]c2ccc(Cl)cc12 80357848 JTLBHLHMNBXTSI-OLZOCXBDSA-N 321.764 1.897 0 40 DDAB CN1CCN(CCCNC(=O)CCCOc2ccccc2)CC1 22829973 QHPYATLQAFXUMZ-UHFFFAOYSA-N 319.449 1.599 0 40 DDAB CNC(=O)[C@@H](C)CN(C)c1ncc(Br)cc1C 96466652 VGZHEQCHUDYCMT-VIFPVBQESA-N 300.200 1.971 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 16455294 NKXYVQOIJBIRHJ-INIZCTEOSA-N 321.352 1.461 0 40 DDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 16959506 BBRNQRMWHLXEOX-LLVKDONJSA-N 302.783 1.703 0 40 DDAB C[C@H]1CCCCN1C(=O)CCNC(=O)c1cnn2cccnc12 69350836 GYUWQZIQCXBGAR-LBPRGKRZSA-N 315.377 1.250 0 40 DDAB Cc1cc(NC(=O)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 17011654 MMKIWUSGVZUZAQ-ZDUSSCGKSA-N 319.386 1.803 0 40 DDAB C[C@@H](O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1 69652422 RBVRQTYUTCAIOA-OAHLLOKOSA-N 321.465 1.434 0 40 DDAB Cn1cc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCc2cccnc2)cn1 72275738 UTJJSEVFJARAEC-ZFWWWQNUSA-N 314.345 1.032 0 40 DDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1noc2c1CCCC2 69700748 WWSKWLSSJGHDAT-LLVKDONJSA-N 323.418 1.547 0 40 DDAB Cn1cnc2c1CCN(CCCS(=O)(=O)c1ccccc1)C2 69742471 DYXWPFYAPFRVCX-UHFFFAOYSA-N 319.430 1.642 0 40 DDAB Cc1csc([C@H]2CCCN(C(=O)CCn3ccnn3)C2)n1 72298892 WLPMHZKNSQBILI-LBPRGKRZSA-N 305.407 1.839 0 40 DDAB Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cn1 69812533 MWOWSZSZJPKKEM-ZDUSSCGKSA-N 321.446 1.954 0 40 DDAB CCc1ocnc1C(=O)N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 83817698 MDXFCBLQQPWQMW-OLZOCXBDSA-N 307.394 1.420 0 40 DDAB C[C@H]1CN(Cc2cnn(C)c2)CCN1C[C@H](O)c1ccccc1 69981764 MPWBVUHRTQUEEP-YJBOKZPZSA-N 314.433 1.660 0 40 DDAB C[S@@](=O)CCCNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 95450399 RJPSOUZWMVVLQA-WLRWDXFRSA-N 324.229 1.912 0 40 DDAB NC(=O)[C@H](Nc1ncnc2c1oc1ccccc12)[C@H]1CCOC1 95452104 DZUAQUFSODOUEM-JOYOIKCWSA-N 312.329 1.678 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(c1ncnc3[nH]cnc13)CC2 95400844 LJGAECYPWFDGTN-QWRGUYRKSA-N 303.366 1.109 0 40 DDAB Cc1nn(C)c(Cl)c1CN1Cc2ccccc2C[C@H]1C(N)=O 95982333 LPUZXZDRBRMCSE-AWEZNQCLSA-N 318.808 1.794 0 40 DDAB Brc1ccc(N2CCO[C@H](Cn3cccn3)C2)nc1 95960779 OVCKAZKLVARERL-LBPRGKRZSA-N 323.194 1.946 0 40 DDAB COc1cccc2[nH]cc(CC(=O)N3CCNC(C)(C)C3)c12 95995250 SIWIWMVDDVQRMM-UHFFFAOYSA-N 301.390 1.929 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CC(n2ccnn2)C1 95997933 LAVLQGOFXYDVES-UHFFFAOYSA-N 304.325 1.658 0 40 DDAB Cc1cccc([C@@H](C)CNC(=O)NC[C@H]2CCCS2(=O)=O)c1 89669113 NUTDDFPPMRPOSO-DZGCQCFKSA-N 324.446 1.975 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)Cc1ccccc1O 76086528 BOLLZGKYSPSTGM-UHFFFAOYSA-N 304.268 1.072 0 40 DDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCc3ccccn3)C2)C1=O 76058890 WKJYTMJKJBAZFO-GUYCJALGSA-N 316.405 1.276 0 40 DDAB CCN1CCN(C[C@@H](O)COc2ccccc2C(C)=O)CC1 22467812 CECLJALRPGZIHQ-OAHLLOKOSA-N 306.406 1.266 0 40 DDAB CCNC(=O)[C@H]1CCCN(c2nnc(Br)s2)C1 77213991 OGFWZHWEGVNYRF-ZETCQYMHSA-N 319.228 1.653 0 40 DDAB CC(C)COc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 408709398 SBXBMJCWUWBWFE-OAHLLOKOSA-N 320.389 1.955 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C(C)(C)CO1 36075995 SGRFZEILZGVLNZ-JTQLQIEISA-N 313.375 1.603 0 40 DDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2noc(C)n2)C1 519553411 WPPDBGLCGXOXOU-MNOVXSKESA-N 304.354 1.336 0 40 DDAB C[C@H]1CN(C(=O)[C@H](C)n2cc(Br)cn2)C[C@@H](C)O1 32611337 UUEAHULKWYPPKJ-AEJSXWLSSA-N 316.199 1.842 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2 31816920 QIGBOKVSLMKUMP-LBPRGKRZSA-N 313.361 1.979 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F 71280941 OWISLOOEQCSIFW-WDEREUQCSA-N 319.296 1.097 0 40 DDAB COc1ccc(CC2CCN(C[C@](C)(O)C(=O)O)CC2)cc1 566624843 CNCVNKNIQILSPN-KRWDZBQOSA-N 307.390 1.785 0 40 DDAB CC(=O)N1CCC(C(=O)Nc2cccc(NC(N)=O)c2)CC1 42620241 LFELWMXYXQZCIH-UHFFFAOYSA-N 304.350 1.374 0 40 DDAB NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nccs2)C1 568712565 SHQOMFQNDHUEQS-RKDXNWHRSA-N 319.390 1.763 0 40 DDAB CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 48088950 AUDJBCSKUUZMCJ-ZDUSSCGKSA-N 306.362 1.755 0 40 DDAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)c1 193412614 LLWILMHKPZZCCP-UHFFFAOYSA-N 311.341 1.688 0 40 DDAB Cc1noc(C)c1CC(=O)NCCCc1cnc2ncnn2c1 225644581 AHFCSKWRJUWGND-UHFFFAOYSA-N 314.349 1.021 0 40 DDAB Cc1ccc([C@H]2CSCCN2C(=O)c2nccnc2N)o1 81346080 DRZFTMBKZBXBMB-SNVBAGLBSA-N 304.375 1.891 0 40 DDAB CCCOc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1 192679928 MMONYKDHWTWCSH-UHFFFAOYSA-N 307.394 1.482 0 40 DDAB CC[C@@H](CO)NC(=O)Nc1ccn(-c2ncccc2Cl)n1 89878421 KNEXLILXNNGXIM-VIFPVBQESA-N 309.757 1.813 0 40 DDAB COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344713 NAMHMGDTWTTWIU-RYUDHWBXSA-N 305.330 1.241 0 40 DDAB CN1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 225724249 GWYIWDGHHGIACF-UHFFFAOYSA-N 319.792 1.429 0 40 DDAB O=S(=O)(C1CCCCC1)N1CC[C@@H](Oc2cnccn2)C1 225797289 IMGZVLCQXGDOBM-GFCCVEGCSA-N 311.407 1.592 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238887905 QHKMRUBDNONGJC-SSDOTTSWSA-N 313.239 1.508 0 40 DDAB CN1CCC2(CCCN2C(=O)N[C@@H](CCN)C(F)(F)F)CC1 331683342 ROIJPUOJVHQCFW-NSHDSACASA-N 322.375 1.536 0 40 DDAB CN(C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)CC2 96196822 OLRYSUAANKBMLF-UHFFFAOYSA-N 305.426 1.455 0 40 DDAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCCCCC3)cc12 96402650 HOGLEZTWVLAYPA-UHFFFAOYSA-N 308.407 1.841 0 40 DDAB CCOC(=O)Cn1c(=O)cc(C)n(-c2cccc(F)c2)c1=O 98063769 SSLSDSVTVIXYGH-UHFFFAOYSA-N 306.293 1.010 0 40 DDAB C[C@H]1[C@@H](C)N(C(=O)c2ccc(Cl)cc2)CCS1(=O)=O 96412808 PSACNWKLZNCXTN-ZJUUUORDSA-N 301.795 1.988 0 40 DDAB CC(C)=CCNC(=O)N1CC[C@H](N=c2ccc3nccn3[nH]2)C1 331876565 UKCFGTOOCYDPFY-ZDUSSCGKSA-N 314.393 1.313 0 40 DDAB CC(=O)N1CCO[C@@H]2CN(C(=O)NC3CCCC3)CC[C@@H]2C1 96082400 WTTRSABXMYIJKA-UKRRQHHQSA-N 309.410 1.208 0 40 DDAB CCC[C@@H](C)CS(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 96496844 JLRUJWCNQXSXIM-ZIAGYGMSSA-N 314.455 1.756 0 40 DDAB Cc1nc([C@H]2CCCN2)cc(N2CC3(CCOCC3)OC2=O)n1 257296867 RESAMARMVKCBPX-GFCCVEGCSA-N 318.377 1.715 0 40 DDAB Cc1cccnc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257277654 NYVZTZHOZFNQMW-HUUCEWRRSA-N 316.332 1.793 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@H](c3ccnc(O)n3)C2)c1 257333803 YDCQNCYLBMPWBV-LBPRGKRZSA-N 301.350 1.093 0 40 DDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2c[nH]cn2)CC[C@@H]1O 257237591 HHDTVKYSQIUREA-ZFWWWQNUSA-N 316.361 1.158 0 40 DDAB CC(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)CCN(C)C2 257333481 YBSQQCTXULQAHG-HNNXBMFYSA-N 317.437 1.604 0 40 DDAB O=C(C1=Cc2ccccc2OC1)N1CCOC[C@@H]1c1ccn[nH]1 257311342 UJACGAMBNAKTMD-OAHLLOKOSA-N 311.341 1.786 0 40 DDAB O=C(CN1CCOC[C@H]1CCc1cnccn1)N1CCCCC1 257296874 RESWUVPZBDMJKJ-MRXNPFEDSA-N 318.421 1.123 0 40 DDAB CCn1cc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)c(C)n1 257333372 YBHHLPOCHPCKJR-LBPRGKRZSA-N 315.377 1.727 0 40 DDAB C[C@H]1OCCN(C(=O)c2cccc(Cl)c2F)[C@@H]1C(N)=O 285297862 JHYIZEIHWCXDFR-HQJQHLMTSA-N 300.717 1.194 0 40 DDAB CO[C@H](CNC(=O)C(=O)NCc1ccco1)c1ccsc1 96363977 NCBGVUAUCRFKFZ-GFCCVEGCSA-N 308.359 1.461 0 40 DDAB O=C(c1cnco1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585277387 VTFDTJRIMUMFRH-MRXNPFEDSA-N 320.320 1.260 0 40 DDAB Cc1cccc(C[C@]2(CO)CN(Cc3ncc[nH]3)CCO2)c1 585276452 OVPHMCPVAPZPLN-QGZVFWFLSA-N 301.390 1.524 0 40 DDAB Cc1c([C@@H](C)NC(=O)[C@H](C)NC(N)=O)cnn1-c1ccccc1 69563625 HNCULSQVTJNQPD-MNOVXSKESA-N 315.377 1.415 0 40 DDAB O=C1CN(C(=O)CCCc2ncc(-c3ccccc3)o2)CCN1 33224989 DITVGGVXKAOVOE-UHFFFAOYSA-N 313.357 1.623 0 40 DDAB C[C@@H](CNC(=O)C1(c2ccccc2)CC1)N1CCN(C)CC1 71867443 NFZDVNNBDJQARO-HNNXBMFYSA-N 301.434 1.470 0 40 DDAB CCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)O)c2)cc1 38030420 CBDXIKYZCSZWFY-UHFFFAOYSA-N 309.347 1.331 0 40 DDAB CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[C@@H]2C)CC1 74125475 BWANREIVGWCZFD-OWCLPIDISA-N 310.486 1.748 0 40 DDAB CN(C)CCNC(=O)Nc1cnn(-c2ncccc2Cl)c1 97052317 JNZPSAXWCWGRFX-UHFFFAOYSA-N 308.773 1.604 0 40 DDAB C[C@](O)(Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 97002610 XNPAPUDHJYITPJ-HNNXBMFYSA-N 302.355 1.659 0 40 DDAB Cc1ccc(CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C2CC2)o1 42870649 KGDXPCDTGFSGMA-NSHDSACASA-N 312.391 1.449 0 40 DDAB c1cnc(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)cn1 105607962 SXOAYIYVVNDPMX-UHFFFAOYSA-N 312.333 1.442 0 40 DDAB COc1ccc(NC(=O)NCc2nnc(SC)n2C)cc1 5001672 BMRYRTNTKYDXEF-UHFFFAOYSA-N 307.379 1.867 0 40 DDAB CC(=O)O[C@@H](C(=O)Nc1cnc(C)nc1N)c1ccccc1 5932562 QKBHHIKGVXJUOQ-CYBMUJFWSA-N 300.318 1.610 0 40 DDAB Clc1ccccc1N1CCN(c2ccc3nnnn3n2)CC1 12533626 VPMVRCRBBJHXHI-UHFFFAOYSA-N 315.768 1.499 0 40 DDAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@H](C(C)C)C1=O 14673598 JEBHSSUGZOFZBQ-CQSZACIVSA-N 311.426 1.703 0 40 DDAB CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2cc(C)no2)n1 19522542 ZDZXLBKCRBJOJJ-NSHDSACASA-N 302.334 1.606 0 40 DDAB CCOc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)cc1OC 19533709 SQNBRMTXJLAEGL-VNQPRFMTSA-N 320.433 1.733 0 40 DDAB Cc1csc(N2CCN(Cc3nnnn3C3CC3)C[C@H]2C)n1 106840799 MKUXOGYRQUBCQF-LLVKDONJSA-N 319.438 1.484 0 40 DDAB COCCS(=O)(=O)Nc1cccc(N2CCCCC2=O)c1 5330077 YRUZRVZVOXEPGJ-UHFFFAOYSA-N 312.391 1.592 0 40 DDAB O=S(=O)(NC1CN(c2cc(C(F)(F)F)ccn2)C1)C1CC1 1888847554 ZCVZVVHFMSCHJD-UHFFFAOYSA-N 321.324 1.371 0 40 DDAB O=C(c1cscn1)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888856687 YRSVWEYWJYXQOI-AOOOYVTPSA-N 306.416 1.808 0 40 DDAB Cn1ncc(Br)c1C(=O)N1CCN2CCC[C@@H]2C1 2767681 HHURMLLKOPWPAY-SECBINFHSA-N 313.199 1.103 0 40 DDAB CCCCCCN(CCO)S(=O)(=O)c1ccccc1N 40334363 IDDDRUTUHOETJD-UHFFFAOYSA-N 300.424 1.832 0 40 DDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)c1ncccc1C)C2 2056223770 FJSRSLJVVFHPMC-ZDUSSCGKSA-N 321.446 1.326 0 40 DDAB Cc1nc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)cs1 1565545828 PXKATNXSVNMOSG-UHFFFAOYSA-N 322.434 1.717 0 40 DDAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)NC(C)(C)C)n12 4250295 BEYLJMMQUUQYPC-UHFFFAOYSA-N 323.422 1.377 0 40 DDAB O=C(Cc1ccsc1)NCc1nc(C2CCOCC2)no1 575618826 WKHCIRAVSRCDMV-UHFFFAOYSA-N 307.375 1.884 0 40 DDAB O=C(C1CCN(Cc2cccnc2)CC1)N1CCSCC1 360537549 BVXRMNZDOIHKHM-UHFFFAOYSA-N 305.447 1.869 0 40 DDAB O=C(CNCc1cnn(Cc2ccccc2)c1)NCc1ccco1 30642646 WOGOUHBKSPEAQD-UHFFFAOYSA-N 324.384 1.930 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2cnc(C)cn2)c1 31338763 XMJNTAJMWLGQJB-AWEZNQCLSA-N 317.345 1.266 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)c1cccc(N2CCCC2=O)c1 31395569 IRTVFRTWYQKHSV-ZDUSSCGKSA-N 312.373 1.828 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 20723489 CMDHYAUFEBVHIZ-JTQLQIEISA-N 303.297 1.502 0 40 DDAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCO1 21202830 UWCXVROGGIIFMN-OAHLLOKOSA-N 302.374 1.718 0 40 DDAB CCN(CC)C(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 21267660 KTYPRPIHJRWONT-NSHDSACASA-N 321.352 1.851 0 40 DDAB C[C@@H](OCc1ccccc1)C(=O)NCc1nnc2ccccn12 32702476 BWESHUDLBWNXIQ-CYBMUJFWSA-N 310.357 1.951 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2csc(Br)c2)C1 41126095 GUTSGKBGNQHLLE-LURJTMIESA-N 303.181 1.458 0 40 DDAB Cc1nc2ccc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@H]43)cc2s1 32912390 ZPJKOYWIEKHWIO-BXKDBHETSA-N 322.411 1.755 0 40 DDAB Cc1ccc(-c2nnn(CC(=O)Nc3nccs3)n2)cc1 419563 CJJQOAXGAKPFSO-UHFFFAOYSA-N 300.347 1.744 0 40 DDAB O=S(=O)(NC[C@@H]1CCCN1)c1ccccc1C(F)(F)F 53254468 JZPTZEZFPGUMBB-VIFPVBQESA-N 308.325 1.736 0 40 DDAB Cn1cnn(CN2CCN(c3ccc(F)cc3)CC2)c1=S 53492112 FEHCDLCVFMSPJA-UHFFFAOYSA-N 307.398 1.870 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(C/C=C/c2ccccc2)CC1 22774141 PZSMLTCQFJOJTQ-WHWKNOJMSA-N 313.445 1.985 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)C1 53894849 OCPNQKAKFPNXPN-SNVBAGLBSA-N 303.293 1.428 0 40 DDAB O=C(NC1=NCCS1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23028169 RQFOYNNGNWXKRE-SNVBAGLBSA-N 323.443 1.819 0 40 DDAB CC(=O)N[C@H](CC(=O)N[C@H](C)Cn1ccnc1)c1cccs1 42533398 ATAVXJHXFRQUJY-DGCLKSJQSA-N 320.418 1.717 0 40 DDAB COc1ccc(-c2nnn(CN3CCCCC3)n2)cc1OC 93392 DPSSHEBSDGLISR-UHFFFAOYSA-N 303.366 1.801 0 40 DDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCNC(=O)C1 23787330 RLGIIVCQVVMYGX-UHFFFAOYSA-N 312.373 1.120 0 40 DDAB O=C(CN1CC[C@@H](Nc2ccccc2)C1)NC1CCOCC1 76758591 YGYIZMCXSMGVBF-MRXNPFEDSA-N 303.406 1.468 0 40 DDAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC 871177 QLBMHTJQGPXLJB-CQSZACIVSA-N 320.345 1.895 0 40 DDAB Cc1cc(C(=O)N2CCN(CCO)CC2)c2ccc(F)cc2n1 78307603 PGZBQYFTIMSKJS-UHFFFAOYSA-N 317.364 1.432 0 40 DDAB CNC(=O)[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 78625521 JNALXTGEQSJOEG-ZDUSSCGKSA-N 300.362 1.021 0 40 DDAB O[C@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1 78893636 YEGPJIWGKJIPHG-HZPDHXFCSA-N 314.389 1.323 0 40 DDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3cccnc3)C2)C1=O 78899275 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O=C(NCCO)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8476524 FAUJOQXHICSDMS-UHFFFAOYSA-N 308.341 1.656 0 40 DDAB CC[C@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CCO1 44709606 LSKKJKBGRVZIKA-GPAKFWEMSA-N 318.373 1.201 0 40 DDAB COCCCNS(=O)(=O)c1cc(Cl)c(C)cc1OC 27587889 BYUVDZYQYLEUJL-UHFFFAOYSA-N 307.799 1.972 0 40 DDAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(NC(=O)c1ccccc1O)C2=O 100513905 WCNSSBRGCNUNTP-PIGZYNQJSA-N 316.357 1.848 0 40 DDAB O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 58162515 APEVKDOSHKNGAL-OLZOCXBDSA-N 319.357 1.628 0 40 DDAB C[C@@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccco1 44870394 WZRZDOYEHPDUPC-LLVKDONJSA-N 313.317 1.512 0 40 DDAB Cc1noc([C@@H](C)N2CCC(C(=O)NCC(F)(F)F)CC2)n1 27782351 RXXKUCZJDQABEY-MRVPVSSYSA-N 320.315 1.830 0 40 DDAB Cn1nccc1C1CCN(Cc2cc(=O)n3ccccc3n2)CC1 58292609 LHFQVZOZWQHINA-UHFFFAOYSA-N 323.400 1.808 0 40 DDAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCC1 58245467 ZAFINRBSKITWDP-NSHDSACASA-N 318.373 1.635 0 40 DDAB COc1ccc(S(=O)(=O)NCCC[n+]2cc[nH]c2)c(C)c1C 101370763 OPHMZMFPCYRSOQ-UHFFFAOYSA-O 324.426 1.296 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21 44910218 UFRGCDXPAGMXMI-WCQYABFASA-N 324.402 1.244 0 40 DDAB CC(=O)NCC1CCN(Cc2nnnn2-c2ccccc2)CC1 44949046 ZGEFELIGNZQSIZ-UHFFFAOYSA-N 314.393 1.010 0 40 DDAB c1ccc2c(c1)c(NCCCN1CCOCC1)nn1cnnc21 27985293 ZTWCMNCSXCBUSM-UHFFFAOYSA-N 312.377 1.412 0 40 DDAB O=C(O)C[C@@H](NCc1ccco1)C(=O)OCc1ccccc1 2230662 FMNDHIYJCFGUGE-CQSZACIVSA-N 303.314 1.956 0 40 DDAB COC(=O)c1cn(CN(Cc2cccc(C)c2)C2CC2)nn1 58529846 SEJIEILDGUEICF-UHFFFAOYSA-N 300.362 1.995 0 40 DDAB CN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@@H]1c1ccccc1 36359216 NOVVCIXUWIOLTL-PWSUYJOCSA-N 302.359 1.696 0 40 DDAB CCOC(=O)CNC(=S)Nc1ccc(C(=O)OCC)cc1 2319100 UTWILEMGOHZDHK-UHFFFAOYSA-N 310.375 1.713 0 40 DDAB C[C@@H](NC(=O)Cn1nnnc1CCCc1ccccc1)C1CC1 95409078 YPRFKRVBOCHYAF-CYBMUJFWSA-N 313.405 1.763 0 40 DDAB O=C(NCC1(NC(=O)C2=CCCC2)CCOCC1)C1=CCCC1 95415337 SKDRMHVCQJGILU-UHFFFAOYSA-N 318.417 1.989 0 40 DDAB CN1C[C@@H](NC(=O)N(Cc2ccccc2)CC(F)F)CC1=O 95413592 QCOOYRJOUJFODF-LBPRGKRZSA-N 311.332 1.694 0 40 DDAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 100622514 DFIXDJRGFPYTRF-FQUUOJAGSA-N 305.330 1.190 0 40 DDAB O=c1cc(N2CCN(c3ccccc3O)CC2)nc2ccccn12 29161302 LJBYWMRHLYOKIV-UHFFFAOYSA-N 322.368 1.727 0 40 DDAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(C)nn1C 29376767 NIFSIVJTQOEKHD-UHFFFAOYSA-N 317.345 1.957 0 40 DDAB CSCCC(=O)NCc1ccccc1CN1CCN(C)CC1 60549062 NXNVXIWBWLASHS-UHFFFAOYSA-N 321.490 1.803 0 40 DDAB COCCC(=O)N1C[C@H]2CN(Cc3ccc(OC)c(F)c3)[C@H]2C1 107798225 RDHSLNLAUJOYIN-HIFRSBDPSA-N 322.380 1.513 0 40 DDAB COc1ccc(/C=C/C(=O)NCCN(C)C)c(OC)c1OC 10111508 VXOCGQLQBBTLGX-VQHVLOKHSA-N 308.378 1.403 0 40 DDAB O=C(NCc1ccccc1Cn1cncn1)NC[C@@H]1CCOC1 48251559 NMYVACAKFUGLAU-ZDUSSCGKSA-N 315.377 1.162 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)COC)cc1 12742976 IFVOVUZOZOTKEC-VXGBXAGGSA-N 308.378 1.216 0 40 DDAB CCOC(=O)N1CCC(NC(=O)Cc2c(C)nn(C)c2C)CC1 22138145 OEYDNOWWHUAFDT-UHFFFAOYSA-N 322.409 1.317 0 40 DDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 3356055 HYFHREOUADKXDP-ZETCQYMHSA-N 307.755 1.351 0 40 DDAB NC(=O)N[C@@H](CC(=O)NC[C@@H]1CCOC1)c1ccccc1F 48374690 VJQFJTQRLSQRQL-GWCFXTLKSA-N 309.341 1.078 0 40 DDAB NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3587277 BXFYAFUKQJXVQC-UHFFFAOYSA-N 323.308 1.028 0 40 DDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)CC1CC1 75121681 LSQWSKGQYJNXDE-UHFFFAOYSA-N 312.373 1.551 0 40 DDAB CS(=O)(=O)CCSc1nnc(NC[C@@H]2CCCO2)s1 49001990 VMMTXTGKWNAKSQ-QMMMGPOBSA-N 323.465 1.266 0 40 DDAB Cc1ccccc1CS(=O)(=O)Cc1cccc(C(N)=O)n1 96001613 XKPZOKNSORYYHV-UHFFFAOYSA-N 304.371 1.604 0 40 DDAB CC(=O)NCC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 96009690 YQAKXNWTUZIKQS-NSHDSACASA-N 310.222 1.821 0 40 DDAB CC(C)c1nc([C@H](C)NC(=O)CS(=O)(=O)N(C)C)cs1 96010510 HLGUPCXSBVOYQS-VIFPVBQESA-N 319.452 1.335 0 40 DDAB O=C(NC(C1CC1)C1CC1)[C@@H](Cc1ccccc1)n1cnnn1 73475209 CIKPZUBKWKJXPC-OAHLLOKOSA-N 311.389 1.762 0 40 DDAB COc1ccc(CCN2C(=O)[C@@H]3CCCN3C2=O)cc1OC 4029617 MJTIVDMRLKTJCM-LBPRGKRZSA-N 304.346 1.673 0 40 DDAB biogenic CCc1noc([C@@H](C)N2CCN(c3nccc(OC)n3)CC2)n1 64248351 QFJFLIHQEZIIOI-LLVKDONJSA-N 318.381 1.314 0 40 DDAB CC(=O)O[C@@H]1OCCO[C@H]1NC(=S)Nc1ccc(C)cc1 13555793 LDUGLUSMNLSPLG-OLZOCXBDSA-N 310.375 1.544 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2nnc3n2CCCC3)on1 89608750 JPWVAHQDNWFOIF-MNOVXSKESA-N 318.381 1.589 0 40 DDAB Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 9322741 NFSDUBYCQFCCCM-UHFFFAOYSA-N 313.313 1.487 0 40 DDAB O=C(COCC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCO1 13844829 FVPOLPOVORTPCG-ZDUSSCGKSA-N 310.325 1.076 0 40 DDAB COc1ccc([C@@H](CNC(=O)Nc2cn[nH]c2)N(C)C)cc1 65415630 PZUAKERPUOIIPG-CQSZACIVSA-N 303.366 1.843 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1C 14018762 GQDTZMZVMOKBDY-JTQLQIEISA-N 324.377 1.878 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@@H]2CCCC[C@H]21 65553308 AXHWMOHDFZLWFH-LXTVHRRPSA-N 304.390 1.539 0 40 DDAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2nccn2C1 65530329 XKUPPADKEDPHSG-YPMHNXCESA-N 310.357 1.440 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2C(C)(C)C)on1 14144863 WHIOIDIXRFDGNA-QMMMGPOBSA-N 310.383 1.844 0 40 DDAB C[C@@H]1CN=C(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)S1 96426931 SVQSIKFZOSTIIC-SNVBAGLBSA-N 324.837 1.984 0 40 DDAB CC(C)(C)c1cc(NC(=O)CN2CC(n3cccn3)C2)on1 71879057 QKGLUYZZGGHBFX-UHFFFAOYSA-N 303.366 1.664 0 40 DDAB Cc1ccccc1CCNC(=O)COc1ccc(C(N)=O)cc1 7467651 LGZKUOXRDSIIDP-UHFFFAOYSA-N 312.369 1.832 0 40 DDAB C[C@H](c1nc(=O)c2ccccc2[nH]1)N1CCC[C@@H]1Cn1cncn1 71875129 NCIASFXVSGCADI-CHWSQXEVSA-N 324.388 1.740 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71865842 UKWSVVOFNWWJJK-CVEARBPZSA-N 318.421 1.584 0 40 DDAB O=C(NS(=O)(=O)N1CCCc2ccccc21)c1ccco1 71857640 WWKKEALCOOTPMK-UHFFFAOYSA-N 306.343 1.707 0 40 DDAB CCCC[C@H](CC)C(=O)N1CCC(CS(N)(=O)=O)CC1 71896183 FFRHCDZZCDVZDU-ZDUSSCGKSA-N 304.456 1.730 0 40 DDAB Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 16222789 RPAYIUGLCGCEDI-RYUDHWBXSA-N 313.444 1.779 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)NC2CCN(CC3CCCC3)CC2)C1 71842085 SUCRKTYAXPDUOK-CQSZACIVSA-N 322.453 1.158 0 40 DDAB CCN1CCN(CC(=O)c2c[nH]c3ccc(OC)cc23)CC1 19925781 VKMCGLBTQBEWQN-UHFFFAOYSA-N 301.390 1.997 0 40 DDAB Cc1cc(C)c(CNC(=O)NCC(=O)NCC2CC2)c(C)c1 95994932 PUDVUBOEYCDZJO-UHFFFAOYSA-N 303.406 1.937 0 40 DDAB COC(=O)Cn1ccc(NC(=O)Nc2cccc(OC)c2)n1 69217392 BYFIZIRPWIQCHU-UHFFFAOYSA-N 304.306 1.709 0 40 DDAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cn1 69348960 RSQFHSUMYDHXPJ-ZDUSSCGKSA-N 305.403 1.526 0 40 DDAB CN(CCN1CCOC1=O)[C@H]1CCN(c2ccccc2F)C1=O 71900654 VWKIUNBJAXKZGG-AWEZNQCLSA-N 321.352 1.315 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CCCCCC1=O 69518003 SEXJRRRCESKPDD-CVEARBPZSA-N 321.465 1.864 0 40 DDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc2c1OCO2 69663404 YHZSREGRTIYNOF-CYBMUJFWSA-N 320.389 1.598 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(c1ccc3nnc(C)n3n1)CC2 89986571 LTIDFRUXIRQAAD-OLZOCXBDSA-N 317.393 1.189 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)C1=NO[C@H](c2ccccc2)C1 69776970 SXIOFXUURGBALJ-NSHDSACASA-N 313.317 1.273 0 40 DDAB CCCN(C(=O)CN1CCN(C[C@H](C)O)CC1)C1=CCCCC1 69949788 MCUPCLUFJKEBBN-INIZCTEOSA-N 323.481 1.681 0 40 DDAB Cc1ccn2ncc(C(=O)N3CCCC[C@H]3Cn3cccn3)c2n1 69966577 ZAHMZTZQPIISIC-AWEZNQCLSA-N 324.388 1.929 0 40 DDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H]1Cn1cccn1 69974179 DLKSUOHNPBNGCJ-XJKSGUPXSA-N 313.357 1.714 0 40 DDAB NS(=O)(=O)c1cccnc1N1CCC[C@@H](c2nccs2)C1 97047767 VRGFXPNJHODQFN-SNVBAGLBSA-N 324.431 1.570 0 40 DDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1nccs1 72268571 CCMRIPWQQQQCEM-STQMWFEESA-N 322.434 1.557 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@H](O)COCc1cccs1)CC2 72254062 YOUAROJQFWSWLE-OLZOCXBDSA-N 322.434 1.130 0 40 DDAB CCc1ccccc1NC(=O)C(=O)NCCCc1nc(C)no1 72291119 FFWQDHWTKSICIG-UHFFFAOYSA-N 316.361 1.628 0 40 DDAB COc1cc(CCNC(=O)N2CC[C@@H]([C@@H](C)O)C2)ccc1F 97108118 GKIMTDMVQVJUDZ-DGCLKSJQSA-N 310.369 1.789 0 40 DDAB Cc1nc2n(c1C)CCN(C[C@H](O)COCc1cccs1)C2 97201152 WEYGHLGSLBFJIN-AWEZNQCLSA-N 321.446 1.955 0 40 DDAB CNC(=O)c1cccc(CCN2C(=O)[C@@H]3CCCN3C2=O)c1 97232386 LLPHEQZEISXSAW-ZDUSSCGKSA-N 301.346 1.015 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cn1 84318755 KSOOQSSACRYYJR-BBRMVZONSA-N 317.414 1.603 0 40 DDAB CC(C)c1noc(CCNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1 97378851 XZEMDMMMOZQGML-CHWSQXEVSA-N 322.409 1.992 0 40 DDAB O=C(NC[C@@H]1COCCO1)c1ccc(N2CCCCCC2)nc1 84425458 KGZMFHZYWFUPQN-OAHLLOKOSA-N 319.405 1.607 0 40 DDAB CC(=O)NCCNC(=O)CSC1=Nc2ccccc2CS1 84753105 YJDBHGMBFZTHFD-UHFFFAOYSA-N 323.443 1.906 0 40 DDAB COC(=O)N1CC[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 76041717 QDQYJBCAAUZERV-CQSZACIVSA-N 319.361 1.144 0 40 DDAB CCNS(=O)(=O)c1ccc(OCC)c(NC(=O)CC)c1 408696618 CPMPYUVMFLVWCO-UHFFFAOYSA-N 300.380 1.732 0 40 DDAB CCOC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 408597606 VKZXASHWMNYKFE-JTQLQIEISA-N 316.379 1.568 0 40 DDAB CC(C)C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306143314 XYOBFBDCABGYNI-CYBMUJFWSA-N 315.435 1.085 0 40 DDAB O=C1CCSC[C@@H](C(=O)NCCc2c[nH]c3ccccc23)N1 75171176 MZTSKHHUKJAQIM-AWEZNQCLSA-N 317.414 1.448 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2C2CCOCC2)N1Cc1ccncc1 306131186 JYHVYAGPDFKECJ-CVEARBPZSA-N 301.390 1.436 0 40 DDAB CCS(=O)(=O)CCN(C)c1cc(-c2ccc(OC)cc2)n[nH]1 77360861 QDLJRMDXDIPRAV-UHFFFAOYSA-N 323.418 1.956 0 40 DDAB COCCNC(=O)c1ccn(COc2cc(C)cc(C)c2)n1 32611009 ORIOGMXNMQLWGF-UHFFFAOYSA-N 303.362 1.913 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC2(CC1)OCCO2 45075048 NHRAOHQPYSFZLW-UHFFFAOYSA-N 307.394 1.335 0 40 DDAB Cc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 32578366 HLMPOWCHXSCTSN-HNNXBMFYSA-N 302.374 1.458 0 40 DDAB CCCc1nsc(N2CCN([C@H]3CCNC(=O)CC3)CC2)n1 569307979 PQJVUUWIZDHHAV-GFCCVEGCSA-N 323.466 1.281 0 40 DDAB CC(=O)N1CCc2cc(C(=O)O[C@H]3C(=O)OCC3(C)C)ccc21 78768578 WQZMYBZVRJFGOM-AWEZNQCLSA-N 317.341 1.704 0 40 DDAB Cc1ccccc1[C@@H](CO)NC(=O)c1cc(O)nc(C2CC2)n1 564223330 ARETXOXGLVQFLX-CQSZACIVSA-N 313.357 1.831 0 40 DDAB CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79410043 FAJVZULETJMUQB-XQQFMLRXSA-N 313.442 1.922 0 40 DDAB C[C@@](O)(CNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 75155871 IIXLCZVVHZWTJX-CZUORRHYSA-N 319.382 1.912 0 40 DDAB Cc1ccc2nc(=O)c(C(=O)NCc3ccc(C)o3)c(O)n2c1 226821905 LMMUTYATOUTNSW-UHFFFAOYSA-N 313.313 1.540 0 40 DDAB COc1nccnc1O[C@H]1CCN(C(=O)c2scnc2C)C1 225809081 PNHSJWLQGSQVBY-JTQLQIEISA-N 320.374 1.544 0 40 DDAB COc1ccc(CCN(C)C[C@@]2(O)CCCN(C)C2)cc1OC 46087345 VYRNULBUFYUAFK-GOSISDBHSA-N 322.449 1.635 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1ncc(F)cc1F 191899770 WSHMKRYCVIERMS-UHFFFAOYSA-N 307.304 1.608 0 40 DDAB CN(Cc1cn2c(n1)CN(C(=O)N(C)C)CC2)Cc1ccco1 96059539 LXBLTCPMNRYIDP-UHFFFAOYSA-N 317.393 1.605 0 40 DDAB CN(C)CCN1CC[C@]2(COCCN(Cc3ccsc3)C2)C1 96201970 KGPUGZWCBQJMAV-KRWDZBQOSA-N 323.506 1.834 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccccn1)C2 96039038 XUIJUCNYITVELD-RDJZCZTQSA-N 304.390 1.668 0 40 DDAB COCC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 96224486 ZOFXHEQEXFCTHW-KRWDZBQOSA-N 302.374 1.679 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@H]2C1 96040963 RTRSCBPDOGXPNO-BPUTZDHNSA-N 321.421 1.795 0 40 DDAB O=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1CC1CC1 96201392 XNHOBZZTBRANEV-UHFFFAOYSA-N 320.368 1.224 0 40 DDAB O=C(c1cccnc1)N1CCC2(CN(Cc3cccnc3)C2)C1 96046460 UAWOTMMOKWLCDA-UHFFFAOYSA-N 308.385 1.825 0 40 DDAB Cc1occc1C(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1cnn(C)c1 96061715 MDZCMIIFJWVFPW-CVEARBPZSA-N 316.405 1.709 0 40 DDAB COCC(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 96058115 JWNKXQLHKIEQIS-LZWOXQAQSA-N 306.362 1.003 0 40 DDAB Cc1ccc(CC(=O)N2Cc3ncn(C)c3[C@@H](C(=O)O)C2)cc1 96196748 QJCITQKCAHQXCA-ZDUSSCGKSA-N 313.357 1.482 0 40 DDAB Nc1ncc(Cl)cc1S(=O)(=O)NCCn1cccc1 96483676 ZENGDLIEFVMCQR-UHFFFAOYSA-N 300.771 1.097 0 40 DDAB COC(=O)c1oc2ccccc2c1Cn1cnnc1[S@](C)=O 96447747 CODNHTKVWYWRKP-JOCHJYFZSA-N 319.342 1.597 0 40 DDAB CC(=O)N1CCC[C@]2(C1)CN(C(=O)C1CCCCC1)CCO2 96268735 JOFMHBDGUKJVLG-KRWDZBQOSA-N 308.422 1.807 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 257315634 VCFIZYAZGMEXIN-ZDUSSCGKSA-N 313.405 1.819 0 40 DDAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cnn(C)c2)nc1 257222151 DSDVNTFGJRLGGQ-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB NC(=O)CCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCC[C@@H]21 257278986 OENCSPSSFHNRFL-MPGHIAIKSA-N 315.417 1.389 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C3CC3)nc2)n1 257234687 GUQRKDLDJHYMMI-CYBMUJFWSA-N 313.361 1.599 0 40 DDAB Cc1ncc(CN2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)cn1 257243928 IJDMPMAWYJDQGN-IXDOHACOSA-N 324.432 1.922 0 40 DDAB Cc1ocnc1C(=O)N1CCC[C@H]1c1cncc(CN(C)C)n1 257276071 NSGAKXJPZLNUMV-AWEZNQCLSA-N 315.377 1.812 0 40 DDAB O=c1c2cc(N3CCOCC3)ccc2nnn1Cc1ccccc1 137384802 DJQVAQJIRNDYOA-UHFFFAOYSA-N 322.368 1.676 0 40 DDAB COc1ccc([C@H]2[C@@H](C(=O)O)SCC(=O)N2C2CC2)cc1 824659941 RHSHGLMOCVKMFS-KBPBESRZSA-N 307.371 1.927 0 40 DDAB Cn1cc(N2C[C@@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)cn1 585101551 ANWCFXSEIWBMTD-INIZCTEOSA-N 313.361 1.017 0 40 DDAB CSCC[C@@](C)(O)CNC(=O)[C@@H]1COc2ccccc2O1 75157465 PNFAUCLKPNMVTK-DZGCQCFKSA-N 311.403 1.447 0 40 DDAB COC(=O)/C=C/c1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 141722196 HNKPBMFSWKCYEO-FGEFZZPRSA-N 324.329 1.830 0 40 DDAB CCc1ccc(NC(=O)CSc2nnc(CC)n2N)cc1 5555146 GYDAVMLIBUTYFJ-UHFFFAOYSA-N 305.407 1.848 0 40 DDAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)n[nH]c2=S)c1 5901053 QZKZKNYGODSMEJ-UHFFFAOYSA-N 315.358 1.206 0 40 DDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C 12219860 VOZKHMKOJIGIKZ-MPYYAJLASA-N 320.437 1.149 0 40 DDAB Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 13734537 HJRKSJXSRPFRFB-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB C[C@H](SCCN(C)C)C(=O)N1CC(=O)Nc2ccccc21 157770761 YOFMUKLVGGBMGW-NSHDSACASA-N 307.419 1.655 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1ccc(CCO)cc1 606440688 SKMLBRLVXIWFPR-KBPBESRZSA-N 304.390 1.568 0 40 DDAB O=C(N1CC(n2ccnn2)C1)C1(c2ccccc2)CCOCC1 225691307 ALKYEORRUNJAHQ-UHFFFAOYSA-N 312.373 1.410 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 12050856 GZTFKDLARBERQE-INIZCTEOSA-N 322.320 1.749 0 40 DDAB FC(F)(F)c1ccc(N2CCN(Cc3nnco3)CC2)nc1 1888855804 MGQKWXCIANUGSC-UHFFFAOYSA-N 313.283 1.806 0 40 DDAB Cc1ccc(S(=O)(=O)NC2CN(C3CCOCC3)C2)cc1C 1888875790 SIQPSZJOCLCVPH-UHFFFAOYSA-N 324.446 1.445 0 40 DDAB COc1cc(OC)nc(N2CC(Cn3cc(Cl)cn3)C2)n1 1889103090 DVXHWKNATGBPAT-UHFFFAOYSA-N 309.757 1.480 0 40 DDAB COC(=O)[C@@H](NC(=O)c1ccnc(OCC2CC2)c1)C(C)C 244933138 CDCKQGXYCZPYNK-AWEZNQCLSA-N 306.362 1.798 0 40 DDAB CN(C)c1ccc(N2CCN(CC3(O)CCCCC3)CC2)nn1 2087122929 YDBNLPQRBAZLJZ-UHFFFAOYSA-N 319.453 1.360 0 40 DDAB COc1ccccc1C(=O)N1C(=O)c2ccccc2S1(=O)=O 350835 GNFPOLYHRKRKOM-UHFFFAOYSA-N 317.322 1.680 0 40 DDAB Cc1ccc(OCCNC(=O)C(=O)NCc2ccco2)cc1 2902963 RCDWRPVSLZPAJU-UHFFFAOYSA-N 302.330 1.399 0 40 DDAB O=C(Nc1ccc(Br)cc1F)c1ccc(=O)[nH]n1 5251630 JQJUQTKRZLQFEN-UHFFFAOYSA-N 312.098 1.924 0 40 DDAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)C4CC4)cnc32)cc1C 10251883 HJUJIBOZEJFVFW-UHFFFAOYSA-N 323.356 1.679 0 40 DDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2)N1CCC1 2055713653 RELUQQVJFAAEGI-ZDUSSCGKSA-N 316.405 1.304 0 40 DDAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)N1CCOCC1 225753838 NLMGGVSUZGLQCQ-UHFFFAOYSA-N 323.374 1.008 0 40 DDAB O=C1NCCN1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575611556 WSRNRBCCMPFXRD-SNVBAGLBSA-N 321.358 1.776 0 40 DDAB COCCCN[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258722 QNSVIUXOSWDSAZ-LBPRGKRZSA-N 316.304 1.373 0 40 DDAB Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 40161702 LTYOSKQMJHLSTD-QGZVFWFLSA-N 318.417 1.697 0 40 DDAB COc1ccc([C@H](NS(=O)(=O)c2cnn(C)c2)C2CC2)cc1 40527962 BJZGAAQZVILWOY-OAHLLOKOSA-N 321.402 1.858 0 40 DDAB CC(C)OCc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 40541869 OJZYMMZKMMYZMS-UHFFFAOYSA-N 301.346 1.625 0 40 DDAB Cc1ccc(C(=O)NCCc2ccccn2)cc1S(C)(=O)=O 40553135 LPQVYBLNKVHMGO-UHFFFAOYSA-N 318.398 1.766 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12 211524 RUPZNUPURJUXKG-NSHDSACASA-N 300.362 1.137 0 40 DDAB CN(Cc1cncs1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 101917484 MXEQTOLZSQLPJT-AWEZNQCLSA-N 315.398 1.903 0 40 DDAB O=C(NC[C@H]1CCCO1)C1CCN(c2ccc(Cl)nn2)CC1 32779811 VVOUFBBLYPJVSO-GFCCVEGCSA-N 324.812 1.642 0 40 DDAB CC[C@@H](C)NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 21577400 WVRPICBXFVMHOP-SNVBAGLBSA-N 309.391 1.355 0 40 DDAB Cc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cn1 32930713 CRAYFPRHPBSLJO-UHFFFAOYSA-N 319.386 1.692 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cnn(C(C)(C)C)c1 102747726 HALOZQMSXJUWAU-AUZPSNTRSA-N 319.405 1.956 0 40 DDAB C[C@H](C(=O)NC(C1CC1)C1CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102887524 LQSPSMIYKMCQNK-HONMWMINSA-N 318.417 1.855 0 40 DDAB CC(C)(C)CCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103155788 WAXXTNBBBBSXIR-AUZPSNTRSA-N 304.390 1.346 0 40 DDAB Cn1c(S[C@@H]2CCCCNC2=O)nc2sccc2c1=O 22278685 JFKQCTHMLZRQLC-SECBINFHSA-N 309.416 1.756 0 40 DDAB O=S(=O)(NCCc1cn2ccccc2n1)N1CCCCC1 42677624 GWBKVKPDKVTQQK-UHFFFAOYSA-N 308.407 1.197 0 40 DDAB COCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 148283 ZBSOCUBDZWTLSZ-UHFFFAOYSA-N 300.361 1.285 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCC[C@@H]1c1nnc2ccccn12 42867376 AQWKHLOHODZTOJ-CHWSQXEVSA-N 315.377 1.755 0 40 DDAB O=C(NCCN1CCCCCC1=O)c1cn2ccccc2n1 42923840 KQICXCNBALZZSI-UHFFFAOYSA-N 300.362 1.467 0 40 DDAB CCc1nc(CN(C)[C@H]2CCN(C[C@@H]3CCCCO3)C2)no1 78891470 LEVSKQWJMBQDQL-KBPBESRZSA-N 308.426 1.707 0 40 DDAB O=C(NC(=S)NC1CC1)c1cncc(Br)c1 1418823 SSTDZIXINOLXLK-UHFFFAOYSA-N 300.181 1.611 0 40 DDAB NC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1Cl 4755282 FQASGZGSRYMBAW-OZVVPTBGSA-N 316.744 1.750 0 40 DDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 6541598 UZEMUSWPGBQOHV-NSHDSACASA-N 314.407 1.230 0 40 DDAB Cc1nnc(NC(=O)N[C@H](C)C(=O)NCc2ccccc2)s1 56502021 WTQJFEQRRPQGEU-SECBINFHSA-N 319.390 1.673 0 40 DDAB CN1C(=O)COc2ccc(NCCNC(=O)OC(C)(C)C)cc21 95404452 DYNDRHJSPWCRIF-UHFFFAOYSA-N 321.377 1.978 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N(C)C 58169163 JVGRHSBULNFRFZ-HOCLYGCPSA-N 317.433 1.492 0 40 DDAB C[C@H]1CO[C@H](C)CN1Cc1cc(=O)n2cc(Cl)ccc2n1 27646102 QOGLPJMUQBZJKT-WDEREUQCSA-N 307.781 1.957 0 40 DDAB CCN1CCC(NC(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 58264756 LDLPKVRGRMBLTD-CQSZACIVSA-N 318.417 1.847 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1F 44910314 FZAQEZRFAKXDHM-QWRGUYRKSA-N 314.382 1.621 0 40 DDAB O=C(NCCOc1ccccc1)Nc1ccc(-n2cnnn2)cc1 58356102 VAYRDELTTSCAQC-UHFFFAOYSA-N 324.344 1.863 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)COc3ccccc3)c12 57279754 UEROHTMQYYRRMP-UHFFFAOYSA-N 313.361 1.273 0 40 DDAB CC(C)NC(=O)CNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47932404 QXQQEUHBUDRMCQ-UHFFFAOYSA-N 320.374 1.252 0 40 DDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2c(C)cc(=O)oc2C)on1 11010674 KKWYYHCSIJYNQT-JTQLQIEISA-N 320.301 1.737 0 40 DDAB CN1CCCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 97052066 JHVYTOPVLXLMLZ-UHFFFAOYSA-N 304.350 1.301 0 40 DDAB Cc1cc(OC[C@H]2CCCNC2)nc(OC[C@@H]2CCCNC2)n1 72203818 XFGCQWIDRNOJHU-LSDHHAIUSA-N 320.437 1.542 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@H](c3noc(C)n3)C2)c1 72231765 JFUFLDFMIQLYLU-ZDUSSCGKSA-N 303.366 1.679 0 40 DDAB Cc1c(Br)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)nn1C 2777536 MJLJDINTWNGMNN-CBAPKCEASA-N 316.199 1.788 0 40 DDAB CC(=O)NCCCNC(=O)Nc1cc(NC(C)=O)ccc1C 48271799 OIUWIYYRDZARSU-UHFFFAOYSA-N 306.366 1.601 0 40 DDAB CCc1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 48232135 AWNCEYQWDULXLJ-OAHLLOKOSA-N 311.403 1.321 0 40 DDAB Cc1nn(C)c(C)c1CNC(=O)c1cnc2sccn2c1=O 28233297 UUKYWNUOYAMKBS-UHFFFAOYSA-N 317.374 1.036 0 40 DDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CC2)C1=O 3600419 VFQUQQIZBCCZCE-HNNXBMFYSA-N 321.764 1.386 0 40 DDAB CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O 13006603 ZEDWOHXFZSITTQ-UHFFFAOYSA-N 300.380 1.771 0 40 DDAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ncnn1C 97161758 AKMVNYKSNODWPK-VIFPVBQESA-N 305.386 1.958 0 40 DDAB Cc1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc(=O)[nH]1 97162067 OUZQWRWUDYLDSR-UHFFFAOYSA-N 313.361 1.417 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)N(C)C)cc1 4034758 KPYANEFOYKACKM-UHFFFAOYSA-N 312.435 1.922 0 40 DDAB O=C1Nc2ccc(S(=O)(=O)Nc3nnc[nH]3)c3cccc1c23 4113213 VKDNZSQLIOTCNE-UHFFFAOYSA-N 315.314 1.324 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)cc1C 13637729 ZEUYRTIHXFFGOF-SNVBAGLBSA-N 319.390 1.113 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 14075763 CPIJZZSSVLMRDC-LURJTMIESA-N 315.424 1.439 0 40 DDAB O=C1C[C@H](c2ccccc2)N(C(=O)c2cc(C3CC3)[nH]n2)CCN1 65515628 VLNAZCUWDNBIDF-MRXNPFEDSA-N 324.384 1.991 0 40 DDAB CCN1C[C@@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1=O 65591522 OEPLFHNVPLREAQ-STQMWFEESA-N 309.435 1.335 0 40 DDAB CCn1cc(C2CCN(Cc3ccn(C)c(=O)c3)CC2)cn1 65519842 YYWXCQKCWYDXPH-UHFFFAOYSA-N 300.406 1.981 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H](n2cccn2)C1 65609593 FHVMKAYKVUPCRL-ZDUSSCGKSA-N 315.402 1.999 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)c1ccsc1 65625566 FDJVUCXLIVUNNN-ZDUSSCGKSA-N 324.450 1.258 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)CCO)C(=O)O 22052781 ZCRDNPCXPITQHX-VIFPVBQESA-N 307.412 1.859 0 40 DDAB in-vitro CCN1C[C@@H](C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1=O 66693575 SZDHFQLNUQCRQV-ZFWWWQNUSA-N 320.364 1.594 0 40 DDAB CC(C)c1ccccc1OC[C@H](O)CN1CCC[C@H](C(N)=O)C1 6834764 GVNVYCIATKRBNB-LSDHHAIUSA-N 320.433 1.747 0 40 DDAB Cn1nc(Oc2ccc(-c3ccccc3)cc2)c(=O)n(C)c1=O 5938026 LSHAMEMJEWEQSH-UHFFFAOYSA-N 309.325 1.938 0 40 DDAB O=C(NC[C@@]1(O)CCSC1)[C@H]1CCN(C2CCCCC2)C1 304702202 JTXKJBFRASCWTD-BBRMVZONSA-N 312.479 1.625 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 71825636 IALJDOBSCQSSDB-JTQLQIEISA-N 307.379 1.365 0 40 DDAB CCN(CC)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccco1 71836558 CTVBBBBSRUHQHU-ZDUSSCGKSA-N 303.362 1.781 0 40 DDAB O=C(CN1CC(n2cccn2)C1)NCC1(c2ccccc2)CCC1 71879029 UZWSPWJPFKHCHA-UHFFFAOYSA-N 324.428 1.978 0 40 DDAB Cc1nc(CN2CCN(C(=O)c3cnsn3)CC2)cs1 71819833 VHJZBSMQIQOTCY-UHFFFAOYSA-N 309.420 1.261 0 40 DDAB CCO[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 71826871 WYMMUMCFLKAPPW-NSHDSACASA-N 301.346 1.564 0 40 DDAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC[C@H]1CCCO1 8250133 LHCZRCPNYWXDHZ-GFCCVEGCSA-N 322.434 1.878 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H](C)n1c(C)ccc1C)C2 70015045 DRUXCJYRTSKEJZ-ZDUSSCGKSA-N 301.394 1.862 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@@H]1C[C@H]1c1ccccc1F 81862952 DDFVBOCAONBLMF-AEGPPILISA-N 307.365 1.833 0 40 DDAB Cc1noc([C@H](C)N2CCN(c3ncnc4c3CCC4)CC2)n1 69348089 BDKHTFJLZFIYGM-NSHDSACASA-N 314.393 1.540 0 40 DDAB COCCOc1ncccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 69322288 NARIZGMUNACPEW-GJZGRUSLSA-N 320.389 1.890 0 40 DDAB NC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 69304529 SRPMVCPZYOBMPC-ZDUSSCGKSA-N 304.346 1.153 0 40 DDAB Cc1nn2c(nc(N3CCNC(=O)C3)c3ccccc32)c1Cl 8328951 QIKMSBRCMYXTFB-UHFFFAOYSA-N 315.764 1.781 0 40 DDAB NC(=O)COc1ccc(-c2noc(-c3n[nH]cc3Cl)n2)cc1 17055120 ZFFRDRFSCMFYKP-UHFFFAOYSA-N 319.708 1.644 0 40 DDAB CCNC(=O)NC(=O)CN1CCCc2cc(OC)ccc2C1 69567253 OYLFTUWVOPDSCB-UHFFFAOYSA-N 305.378 1.289 0 40 DDAB CN(Cc1cccs1)C(=O)CN1CCC[C@H]1Cn1cncn1 69560248 JKPYMMXBLFOVFP-ZDUSSCGKSA-N 319.434 1.463 0 40 DDAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](C(N)=O)C2)s1 9647044 NGFRZHGHBMDKOF-LLVKDONJSA-N 308.403 1.743 0 40 DDAB O=C(Cc1ccc2ccccc2c1)N[C@H]1CCS(=O)(=O)C1 17635867 SRMPCOKJWUAASX-HNNXBMFYSA-N 303.383 1.686 0 40 DDAB COc1ccc(-c2cc(C(=O)N3CCC(N)CC3)n[nH]2)cc1 70451518 SEDFSZUCKVKUIL-UHFFFAOYSA-N 300.362 1.649 0 40 DDAB CC(=O)NCCNC(=O)CCC(=O)NC1CCCCCCC1 69848947 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O=C(c1cccc2cccnc12)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257220780 DMCICDQXHZTYOJ-YJBOKZPZSA-N 312.369 1.991 0 40 DDAB Cn1c(CN2CCO[C@@H](c3cnccn3)C2)nc2ccccc21 257246068 ISHYIAXWHNCWKA-MRXNPFEDSA-N 309.373 1.937 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2NC1=O 252496921 PVCSWPTUJAKZQI-QWRGUYRKSA-N 324.402 1.969 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@](O)(CN(C)C)CC1 257213050 CFYZUPXGGDDNTK-QGZVFWFLSA-N 322.453 1.264 0 40 DDAB CCc1nccn1CC(=O)N1CCO[C@@H](c2nc(C)cn2C)C1 257335327 YJRZSHAIGXQTRY-CYBMUJFWSA-N 317.393 1.088 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)no1 257292890 QNJJOIXZAHMEFH-BPLDGKMQSA-N 317.345 1.469 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(CCCOc2ccccc2F)CCO1 257297104 RFWIDGOESLLBCT-KRWDZBQOSA-N 324.396 1.774 0 40 DDAB NC(=O)C1CN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 257295004 QWOXPJOQXKFPRY-UHFFFAOYSA-N 320.364 1.109 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2CC(=O)N2CCCC2)ccn1 257325418 WSWMFYDJDZSGPD-HNNXBMFYSA-N 302.422 1.907 0 40 DDAB CCOc1ccc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 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1.698 0 40 DDAB CN(CCNC(=O)C1(c2ccccc2)CCOCC1)C1CC1 58858454 YKVVJNSMFNXRAQ-UHFFFAOYSA-N 302.418 1.945 0 40 DDAB CC(C)N1CC[C@@H](Nc2ccc(F)c(C(=O)N(C)C)c2)C1=O 84494661 HPMCDEZQOQXSIK-CQSZACIVSA-N 307.369 1.949 0 40 DDAB COCCN1CC[C@@H](N(Cc2noc(C3CC3)n2)C(C)=O)C1 84671344 WUFPODZYUHZXAB-CYBMUJFWSA-N 308.382 1.016 0 40 DDAB O=C(Cc1ccccc1Cl)N1CCN(C[C@@H](O)C2CC2)CC1 85436682 CIQMTXKQRXHCNP-MRXNPFEDSA-N 322.836 1.798 0 40 DDAB COc1ccc(NC(=O)NC[C@H](O)CCSC)c(OC)c1 1775967224 JETFTIQVQANUIM-SNVBAGLBSA-N 314.407 1.939 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326218 AKCKODPZRJOLDY-BBRMVZONSA-N 320.408 1.881 0 40 DDAB NC(=O)COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1 15082041 GFHZIIDLBAAYRN-VIFPVBQESA-N 318.358 1.064 0 40 DDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1c[nH]nc1-c1cccs1 19575214 DHPFLFPLWJXGMT-KWCYVHTRSA-N 318.446 1.778 0 40 DDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1c[nH]nc1-c1ccccc1 19575848 LUZAXYSOXGIZBO-IAOVAPTHSA-N 312.417 1.716 0 40 DDAB O=C(NCc1cn(-c2cccs2)nn1)NC1CCOCC1 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Cc1cnc(CN2CC[C@H](N(C)Cc3nnc(C)o3)C2)cn1 78891344 GOPDHIIVAGLXPP-AWEZNQCLSA-N 302.382 1.183 0 40 DDAB CCCNCC(=O)Nc1ccccc1NC(=O)CNCCC 1671745 GPWLAPLLSOQILF-UHFFFAOYSA-N 306.410 1.563 0 40 DDAB C[C@H](C(=O)NCCC1=CCCCC1)N1C[C@H]2OCCN(C)[C@@H]2C1 79109534 VOKOSGYSXABZJY-DJIMGWMZSA-N 321.465 1.396 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 24710568 IPSRTQGXODINGX-UHFFFAOYSA-N 322.839 1.644 0 40 DDAB CO[C@@]1(c2ccccc2)C(c2ccccc2)=NNC(=S)N1N 3171608 NCIHTMFTFSLLEQ-INIZCTEOSA-N 312.398 1.954 0 40 DDAB Nn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 3484418 RBKWSHJDFXLJFP-UHFFFAOYSA-N 303.391 1.278 0 40 DDAB Cc1csc(N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)n1 47890938 FNTYMNILEZFADZ-CQSZACIVSA-N 322.478 1.975 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4197528 JJPNGTUFVCGBKM-KATARQTJSA-N 323.326 1.127 0 40 DDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975717 WVEGOFVQSZNTGH-ZDUSSCGKSA-N 304.390 1.958 0 40 DDAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1C1CC1 8249142 CYVTYDSTIAOGKU-LLVKDONJSA-N 310.423 1.563 0 40 DDAB C[C@H]1CN(CCN(C)CCN2C[C@@H](C)OC[C@@H]2C)[C@H](C)CO1 108360330 PETNUGAWVIEURH-ZYGGUILKSA-N 313.486 1.137 0 40 DDAB Cc1nc2ncnn2c(N2CCc3c(ncn3C3CC3)C2)c1C 95400228 AIQKUTYVUPJERB-UHFFFAOYSA-N 309.377 1.835 0 40 DDAB CN(c1ncc(S(N)(=O)=O)s1)[C@H]1CCc2ccccc21 95407739 XNLXSRKNQJIBMR-NSHDSACASA-N 309.416 1.914 0 40 DDAB Cc1cc(N[C@H](C)CN2CCOCC2)nc(-c2ccncc2)n1 57826956 PVQUMXCRVJWSTO-CQSZACIVSA-N 313.405 1.980 0 40 DDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1 58016418 IXXOGMPQOWMACA-GFCCVEGCSA-N 303.362 1.954 0 40 DDAB NC(=O)Cn1ccc(NCc2nc(-c3ccsc3)no2)n1 58182642 HYHMUJIUWUOCLP-UHFFFAOYSA-N 304.335 1.092 0 40 DDAB C[C@H](NC(=O)Cn1nc(O)ccc1=O)c1ccc(Cl)s1 44916422 PIHFFLLJHITFSY-ZETCQYMHSA-N 313.766 1.541 0 40 DDAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@H]1CCCCNC1=O 44939701 HIPLGCABJGGWLY-HNNXBMFYSA-N 312.373 1.200 0 40 DDAB CC(C)N(Cc1nc(N)nc(N(C)C)n1)C[C@H]1C[C@H]2C=C[C@H]1C2 104229982 YHSMYLPOSGHRGJ-MELADBBJSA-N 316.453 1.942 0 40 DDAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2nccs2)c1 20547290 VVALTFZLRLVZSA-UHFFFAOYSA-N 302.308 1.781 0 40 DDAB Cn1cc(CNC(=O)N2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cn1 102695352 UFIVOAFNBCQCEZ-BMFZPTHFSA-N 317.437 1.436 0 40 DDAB O=C(COc1ccccc1)NCc1cccnc1-n1ccnc1 36391968 MJSQUSPJAGWWNI-UHFFFAOYSA-N 308.341 1.963 0 40 DDAB CCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 36416379 XBZCJMVPJIWWOC-UHFFFAOYSA-N 309.797 1.833 0 40 DDAB COC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)[nH]n2c1=O 100472406 XQOXJWFSAWMBHM-UHFFFAOYSA-N 312.329 1.417 0 40 DDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)O)cc1)C(=O)O 2518272 JFKXENJFSWWWQI-NSHDSACASA-N 309.318 1.905 0 40 DDAB CCOc1ccccc1N1CCN(C(=S)NCCOC)CC1 2664979 VQXPLFABAAOYPH-UHFFFAOYSA-N 323.462 1.728 0 40 DDAB CCc1cccc(N2C[C@H](/C(O)=N/S(C)(=O)=O)CC2=O)c1 48481128 OPSSMRZXCRVNEP-LLVKDONJSA-N 310.375 1.518 0 40 DDAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 13006336 HSQHMKHIMNOWRB-JTQLQIEISA-N 321.320 1.756 0 40 DDAB CNC(=O)C1CCN(CC(=O)Nc2nc(C)c(C)s2)CC1 65436979 CZTNSFXHWWITTA-UHFFFAOYSA-N 310.423 1.156 0 40 DDAB COCCN1CCCN(C(=O)N[C@H](C)c2ccccn2)CC1 65444400 BZLQVEZXCFAAKD-CQSZACIVSA-N 306.410 1.506 0 40 DDAB Cn1c(SCC(=O)N2CCCC2=O)nnc1-c1cccs1 14018430 MVLHECNRGDWSHR-UHFFFAOYSA-N 322.415 1.785 0 40 DDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(Cl)cc1F 65501738 PHGBNOZBYTXEHW-QMMMGPOBSA-N 318.761 1.438 0 40 DDAB Cn1cc(Cl)cc1C(=O)N1CCC(N2CCNC2=O)CC1 65514237 VJIKXKDDCRPWGJ-UHFFFAOYSA-N 310.785 1.308 0 40 DDAB CCOC(=O)N1CCC(Nc2cc(C)nn3cnnc23)CC1 4775780 DBZPRDAUIIVOBM-UHFFFAOYSA-N 304.354 1.466 0 40 DDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCC(c2nc[nH]n2)CC1 83442407 OAQHFACCAWKJMI-CYBMUJFWSA-N 303.341 1.350 0 40 DDAB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)N(C)C1=S 5904972 MHBDKGUKFBLACC-WQLSENKSSA-N 320.370 1.570 0 40 DDAB CCn1nc(C)c(CNC(=O)NCC(=O)N2CCCCC2)c1C 67390397 HJXBRIBAZKVSBX-UHFFFAOYSA-N 321.425 1.332 0 40 DDAB CCc1cnc(CCNC(=O)Nc2cnn(CCOC)c2)s1 80623266 TTYBQKJIXBETQQ-UHFFFAOYSA-N 323.422 1.913 0 40 DDAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CC1 7983765 CLPJQEKCIYXCMX-UHFFFAOYSA-N 314.432 1.354 0 40 DDAB COc1ccc(NC(=O)CN(C)CC(=O)N2CCCC2)cc1 8093180 RXNBYJBFHLVVFP-UHFFFAOYSA-N 305.378 1.188 0 40 DDAB CCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)c(C)n[nH]c1=O 71883002 BTHPUWXCCHFCFI-ZDUSSCGKSA-N 307.394 1.808 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@](C)(CC(C)C)C(N)=O)n1 71896849 JMUBQVRCBTUWOV-OAHLLOKOSA-N 324.450 1.592 0 40 DDAB O=C(c1cc2ccccc2[nH]c1=O)N1CCN2CCCC[C@H]2C1 71839849 UVMAKDGIASBVFJ-AWEZNQCLSA-N 311.385 1.838 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)N(C)c2nccs2)c1 71875943 LIYNMENJNHPYAV-ZDUSSCGKSA-N 319.434 1.775 0 40 DDAB C[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(C(F)(F)F)cc1 69705114 ARVHNWXIGIZEFI-LURJTMIESA-N 300.240 1.608 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(C(N)=O)c(F)c1 69709744 URDZJMNEWIDYIQ-QMMMGPOBSA-N 319.292 1.275 0 40 DDAB O=C(O)C[C@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCO1 92238029 YEJWEUMPRNWQRT-CMPLNLGQSA-N 307.371 1.578 0 40 DDAB COc1ccc2c(c1)C[C@H](N[C@H](C)CCS(C)(=O)=O)CC2 97021060 LCYBNINSTNTRJC-IUODEOHRSA-N 311.447 1.965 0 40 DDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 72235008 MPUPDJQDFSIZEU-RISCZKNCSA-N 316.409 1.596 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1Cc3cccc(F)c3O1)C2 72296621 OWZQYFWDRZYUFD-JSGCOSHPSA-N 315.348 1.765 0 40 DDAB COc1cc(CNc2cc(N3CCC[C@@H]3CO)ncn2)ccn1 72276050 MDCMPTRRQGJBRZ-CYBMUJFWSA-N 315.377 1.453 0 40 DDAB CCc1nc(C)ncc1C(=O)N1CCC[C@H](n2cncn2)C1 72287886 CLMPKMRSQSNWDX-LBPRGKRZSA-N 300.366 1.416 0 40 DDAB O=C(NC[C@H]1CCCS1(=O)=O)NC1Cc2ccccc2C1 97140362 OLNYSHGLBJIQNE-CQSZACIVSA-N 308.403 1.030 0 40 DDAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](C(C)C)CC(=O)N2 72325641 TVKKCDVZLZYPBL-VIFPVBQESA-N 311.349 1.929 0 40 DDAB biogenic CC(=O)NC[C@H](C)OC(=O)c1c[nH]nc1-c1ccc(F)cc1 97380185 JKXAQBAKPLEZJZ-VIFPVBQESA-N 305.309 1.897 0 40 DDAB Clc1ccc(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)nc1 84428998 VAFLPQOOPQJQMB-JSGCOSHPSA-N 311.813 1.884 0 40 DDAB CC1CCN([C@H](C)CNC(=O)N[C@@H](C)c2cnn(C)c2)CC1 73897790 IHAIYAIZLCPTME-KGLIPLIRSA-N 307.442 1.901 0 40 DDAB CN(C)S(=O)(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984250 GLLQLMVLKNOFDM-VXGBXAGGSA-N 304.799 1.566 0 40 DDAB O=S(=O)(N[C@H]1CCNC1)c1c(F)c(F)c(F)c(F)c1F 95996585 IPFHOUGBRYIWSM-BYPYZUCNSA-N 316.251 1.022 0 40 DDAB CCOc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)O)c1 89269953 QMNGTGODNBLPLQ-AWEZNQCLSA-N 306.362 1.251 0 40 DDAB Cc1ccnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 89701905 QIPVBOZZZJJLLX-IAGOWNOFSA-N 310.401 1.875 0 40 DDAB CC(C)OCCSCC(=O)N1CCN(C(=O)C2CC2)CC1 89887895 HIDYAYFHOCGJHL-UHFFFAOYSA-N 314.451 1.225 0 40 DDAB Cc1nnc2ccc(S(=O)(=O)Nc3cccc(F)c3)cn12 67172414 LXGPEJBOJJOWFW-UHFFFAOYSA-N 306.322 1.978 0 40 DDAB Cc1cccc([C@H](NS(=O)(=O)c2cnc[nH]2)C(=O)O)c1C 548290662 VMNKARZTNQQPOK-LBPRGKRZSA-N 309.347 1.131 0 40 DDAB O=C(O)Cn1cc(I)c(C(F)F)n1 408715664 CEOBSKIPSYKMMZ-UHFFFAOYSA-N 302.018 1.510 0 40 DDAB O=C(c1ncncc1Cl)N1CCc2ccccc2[C@@H]1CO 185651169 JPRVAIGXXTYRRK-ZDUSSCGKSA-N 303.749 1.862 0 40 DDAB CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCSCC2)C1 366243345 FDOJYWZNIRHDKW-NSHDSACASA-N 316.423 1.198 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 36383661 UBYLINOSUXHYAX-NSHDSACASA-N 309.797 1.831 0 40 DDAB O=C(O)c1cn(-c2ccc(OC(F)(F)F)cc2)c(O)nc1=O 317148766 BWVBGVUDIYBTIQ-UHFFFAOYSA-N 316.191 1.535 0 40 DDAB CN(CCc1ccc2c(c1)CCO2)C1CCS(=O)(=O)CC1 79470391 UFBKGQCEMZPSFJ-UHFFFAOYSA-N 309.431 1.673 0 40 DDAB CC(=O)Nc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1F 78911027 RSFWSNMVJDSEQP-UHFFFAOYSA-N 307.325 1.135 0 40 DDAB COc1ccccc1C[C@H]1CCCN1C(=O)CSCC(N)=O 79320857 DHKXYZVQELDPSQ-CYBMUJFWSA-N 322.430 1.447 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(F)cc1 224216152 GLZTVDDFJSYZIP-UHFFFAOYSA-N 316.336 1.382 0 40 DDAB OCCN1CCN(Cc2csc(-c3cccs3)n2)CC1 48236174 MEUCCIGKGGUGRS-UHFFFAOYSA-N 309.460 1.982 0 40 DDAB COCCCNC(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O 40774524 KNDFAFMMRJTHFN-OAHLLOKOSA-N 308.403 1.667 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4ocnc4C)C[C@H]3O2)n1 96220133 OTSWXCUZUJXJPT-QJPTWQEYSA-N 318.333 1.147 0 40 DDAB O=C(Cc1ccon1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 331512458 JHFCXMDNZZNLIQ-BXUZGUMPSA-N 308.284 1.830 0 40 DDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)C1CC1 96044433 KBJCAAIZRKERFH-OAHLLOKOSA-N 319.405 1.450 0 40 DDAB C[C@@H](c1cccnc1)N1CCN(Cc2nnnn2C2CC2)CC1 96424344 FNSFHGKNJJXJGC-ZDUSSCGKSA-N 313.409 1.282 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3cccnc3)[C@@H]2C1 96056695 HBPJJZIBEJGGMC-ARFHVFGLSA-N 303.406 1.586 0 40 DDAB Cc1ccc(C(=O)NCCC(=O)NCc2ccccn2)s1 97373358 QXMMDKGULLVEBS-UHFFFAOYSA-N 303.387 1.888 0 40 DDAB O=C(c1ccncc1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053694 LHTITCXWSMVTDZ-JSGCOSHPSA-N 313.382 1.878 0 40 DDAB CCc1cc(=O)[nH]c(CN(CCO)[C@@H]2CCc3ccccc32)n1 96467049 XLTQOHCUBUMYEO-MRXNPFEDSA-N 313.401 1.814 0 40 DDAB COCCNC(=O)c1nc(-c2ccc(N3CCCC3)nc2)no1 97971366 OEODBNJGJSMNBV-UHFFFAOYSA-N 317.349 1.108 0 40 DDAB CN(C(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1 98211238 LHTZCNPTGZQCGQ-UHFFFAOYSA-N 300.362 1.434 0 40 DDAB O=C1CCCN1C[C@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1 248004683 SLQFQMPFYTXRST-GFCCVEGCSA-N 320.368 1.224 0 40 DDAB CS(=O)(=O)N1CCC(Cc2cncc(-c3cc[nH]n3)n2)CC1 257219446 DGUXLIDNMLCNDQ-UHFFFAOYSA-N 321.406 1.081 0 40 DDAB Cc1cc(C(=O)N2C[C@H]3C[C@H](O)C[C@H]3C2)c2c(C)noc2n1 257310528 UFLGMKCLZLZYLV-GDNZZTSVSA-N 301.346 1.683 0 40 DDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2nccs2)n1 257283150 OWXGCZUGJUGDGU-ZDUSSCGKSA-N 317.418 1.906 0 40 DDAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cnccn2)nc1 257223806 DYYJSVVBKIIUQT-KRWDZBQOSA-N 311.389 1.845 0 40 DDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2cscn2)[C@H]1O 257342596 ZPKFHIZLBPMLOF-JHJVBQTASA-N 306.391 1.485 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccncc2)C1 256008864 WICUPPYAMZXFKJ-QWHCGFSZSA-N 321.377 1.806 0 40 DDAB CN1CCC(N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)CC1 257218987 DFDGZMDIROMDCF-ROUUACIJSA-N 304.434 1.985 0 40 DDAB CC(C)c1nnsc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257289662 PZRFPOWBNXHYKP-HZMBPMFUSA-N 311.407 1.418 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CC[C@@H](O)[C@@H]1O 257242084 IBAXGVCOBDIASA-UMVBOHGHSA-N 302.330 1.298 0 40 DDAB Cc1cccc(NC(=O)CN(C)C(=O)c2scnc2C)n1 69382050 DHBTZTAYXQNMNS-UHFFFAOYSA-N 304.375 1.866 0 40 DDAB CSCc1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1 69895199 QDNCUSOAQPVTEI-UHFFFAOYSA-N 308.403 1.471 0 40 DDAB C[C@H](CNC(=O)c1sccc1-n1cccc1)N1CCOCC1 29962400 RFISAVMLJHSLCD-CYBMUJFWSA-N 319.430 1.989 0 40 DDAB CC(C)COCCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O 71890274 BWQHGAZNFPHMRJ-OAHLLOKOSA-N 319.405 1.764 0 40 DDAB COC(=O)C(C)(C)NC(=O)CCc1nnc(-c2ccccc2)o1 32816751 ZUDYXZMKRURWTL-UHFFFAOYSA-N 317.345 1.737 0 40 DDAB COc1c(C)[nH]cc(CN(C)c2ncnc3c2CCC3)c1=O 894804946 UFBQCDXVMOPEMG-UHFFFAOYSA-N 300.362 1.607 0 40 DDAB O=C(NCc1ccnc(N2CCCC2=O)c1)Nc1nccs1 1776001694 HEJSOWXEGDNCCS-UHFFFAOYSA-N 317.374 1.987 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccnc2ccnn12 75134516 WGJNNGBLKHCCDD-UHFFFAOYSA-N 320.312 1.078 0 40 DDAB CN(C(=O)NCC(F)(F)F)[C@@H]1CCN(c2ccccc2)C1=O 75139335 GXBQJMPDVKPQCT-LLVKDONJSA-N 315.295 1.996 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(Cc3nnc(C4CC4)o3)C2)no1 76047373 BIVXSHDQKLOPSA-LBPRGKRZSA-N 318.381 1.345 0 40 DDAB CC(=O)O[C@@H]1C=CC=C2C=C(C(N)=O)c3ccccc3[N+]([O-])=C21 1569967248 CHVRGMAPVAVQNA-OAHLLOKOSA-N 310.309 1.580 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H]1SC[C@@H](C(=O)O)NC1=O 13636888 RHDCPEDMIKAZRK-QWRGUYRKSA-N 308.359 1.008 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 205751478 VJJMDEBTKPSDIS-VZUCSPMQSA-N 321.310 1.625 0 40 DDAB CC(=O)N1CCN(C(=O)c2nccn2C)C[C@@H]1c1ccccc1 1848356789 LXEBAXBMMLWQKJ-OAHLLOKOSA-N 312.373 1.466 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)O 2623479 GPVBCMKVUYEXIR-NSHDSACASA-N 317.432 1.788 0 40 DDAB in-vitro C[C@H]1CN(C(=O)COC(=O)c2n[nH]c3ccccc23)C[C@H](C)O1 5360844 OBOOXWWIYWGXPL-QWRGUYRKSA-N 317.345 1.356 0 40 DDAB CNC(=O)NC(=O)CSc1nnc(C)n1-c1ccccc1 6422615 SZKVUUHOAFPNQQ-UHFFFAOYSA-N 305.363 1.123 0 40 DDAB CC(C)[C@@H](Sc1ncnc2ccccc12)C(=O)NC(N)=O 6786459 MEJUPOFGZHVXOO-LLVKDONJSA-N 304.375 1.941 0 40 DDAB O=C1NCCN1C(=O)NC[C@H](c1ccoc1)N1CCSCC1 253396252 DJWVNQHATMHGCZ-GFCCVEGCSA-N 324.406 1.104 0 40 DDAB Cc1nccc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087139274 YNEOTIUYZWDXNO-UHFFFAOYSA-N 310.423 1.178 0 40 DDAB Cc1c(Br)c([C@@H](O)CCN2CCOCC2)nn1C 1565504950 YLNJILTXZKYQBY-JTQLQIEISA-N 318.215 1.247 0 40 DDAB Cc1cc(-c2nnc(NC(=O)COc3ccccc3)o2)n(C)n1 13614778 DSTWOTGIHHLOBZ-UHFFFAOYSA-N 313.317 1.796 0 40 DDAB CCOC(=O)CCC(=O)N1CCC[C@H](Oc2ccnc(C)n2)C1 575610188 UGAXBZJYPCFRBF-ZDUSSCGKSA-N 321.377 1.498 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCc1ccc(-c2ccco2)o1 575607810 CWYPVASONDUOFC-UHFFFAOYSA-N 302.286 1.305 0 40 DDAB O=c1ccc(-c2ccc(F)cc2)nn1CC1(O)CCNCC1 13266123 CZQOOYWBNNMABS-UHFFFAOYSA-N 303.337 1.164 0 40 DDAB Cc1ccc(NCC(=O)N2CCC[C@H](C)C2)cc1-n1cnnn1 40511214 KAUWSSNDMFCACM-LBPRGKRZSA-N 314.393 1.641 0 40 DDAB O=C1CN(C(=O)c2cc3cc(Br)ccc3o2)CCN1 40514003 MTKIEZLZJQSHNA-UHFFFAOYSA-N 323.146 1.767 0 40 DDAB O=C(Nc1nncs1)N[C@H]1CCCN(c2ncccn2)C1 40554047 PQNLDOVMOLRIJB-VIFPVBQESA-N 305.367 1.119 0 40 DDAB COc1ccccc1OCCN1CCN(c2ncccn2)CC1 51207577 FVHCALQUPRYHNA-UHFFFAOYSA-N 314.389 1.686 0 40 DDAB CS(=O)(=O)CCN1CCC(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101543108 NAWUVXZLACYXJK-SOUVJXGZSA-N 312.479 1.297 0 40 DDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@@H]3C[C@@H]3C)ccc2c1=O 32393147 QBCOPYIRWUXYMH-JQWIXIFHSA-N 315.373 1.657 0 40 DDAB Cc1cc(C)n(CC(=O)NCc2nnc3n2CCCCC3)n1 41820871 WTJRXZYVOQXGCP-UHFFFAOYSA-N 302.382 1.134 0 40 DDAB CC(=O)c1ccc(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)s1 41944589 OYJHYEWMLXHUEL-PHIMTYICSA-N 310.419 1.790 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@@H]2CSC(C)(C)N2C=O)cc1 405568 PCFKNNHPMFHAKH-LBPRGKRZSA-N 322.386 1.722 0 40 DDAB Cn1nnnc1SCC(=O)Nc1nc2c(s1)CCCC2 419657 YJTFTGJXWNKWAM-UHFFFAOYSA-N 310.408 1.276 0 40 DDAB Cc1cc(C)n(CCNC(=O)c2nc(-c3ccncc3)no2)n1 12409295 AOFWLPMUWXMSKK-UHFFFAOYSA-N 312.333 1.375 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105881990 NGZMQYXWABEENU-IHRRRGAJSA-N 314.451 1.307 0 40 DDAB CN(CCc1ccccn1)C(=O)CN1CCCCCCC1=O 47798715 ZDOVWCYBFRXQQE-UHFFFAOYSA-N 303.406 1.875 0 40 DDAB CC(C)CC(NC(=O)OCc1ccccc1)(C(=O)O)C(=O)O 1570968 TYMFSJMODYALDQ-UHFFFAOYSA-N 309.318 1.867 0 40 DDAB C[C@@H](c1ccc(N2Cc3ccccc3C2=O)cc1)[C@H](O)C(N)=O 1576440 SJPGXMIEMGQHAY-ZBEGNZNMSA-N 310.353 1.797 0 40 DDAB Cc1nnc(CN(CCN2CCOCC2)c2ccccc2)o1 79015710 JQVZZAQAJJDBCY-UHFFFAOYSA-N 302.378 1.717 0 40 DDAB Cc1cc(CCC(=O)Nc2nnn[nH]2)ccc1Br 79050225 XLJKBHBGKQCGBY-UHFFFAOYSA-N 310.155 1.842 0 40 DDAB NC(=O)c1sccc1NS(=O)(=O)c1ccccc1F 79106510 XRWFIKFAUDOEIX-UHFFFAOYSA-N 300.336 1.787 0 40 DDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)O 2555125 SOSXJQKIIYOJPF-CHWSQXEVSA-N 309.362 1.958 0 40 DDAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H](O)C1 106819141 HFZXFTICNIOPHE-NVXWUHKLSA-N 317.433 1.180 0 40 DDAB CCO[C@@H]1C[C@H]1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 106834111 BPYYXVBEMTUHLW-IACUBPJLSA-N 308.353 1.011 0 40 DDAB CC(=O)N[C@H](CC(=O)NC[C@H](C1CC1)N(C)C)c1cccs1 55718985 ASOHZGQUNXYQIB-ZIAGYGMSSA-N 323.462 1.772 0 40 DDAB O=C(CN(Cc1ccccc1)Cc1ccco1)N1CCNC1=O 25397339 CIUBRYNVGSHRLP-UHFFFAOYSA-N 313.357 1.834 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 6452861 SKTPYCPVRNEAHD-JTQLQIEISA-N 323.201 1.632 0 40 DDAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1 26535585 DCBOQTGRFNFFMR-UHFFFAOYSA-N 308.353 1.707 0 40 DDAB CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CCO1 44709605 LSKKJKBGRVZIKA-LHRNQBEKSA-N 318.373 1.201 0 40 DDAB CC[C@@H](CN1C(=O)N[C@@H](C)C1=O)N1CCc2ccccc2C1 44980680 NQAWJRIAPDPNLO-WFASDCNBSA-N 301.390 1.764 0 40 DDAB Cc1c([C@H](C)NC(=O)CNC(=O)CC2CCCCC2)cnn1C 58343531 ROPBKSNKXRDSPN-LBPRGKRZSA-N 320.437 1.992 0 40 DDAB O[C@@H](CNC[C@H]1CNc2ccnn2C1)COc1ccc(F)cc1 58315964 QQMSTVBAIYFMEN-JSGCOSHPSA-N 320.368 1.093 0 40 DDAB O=C(NCc1cccc(CN2CCOCC2)c1)C1CCOCC1 58407717 AQCDCBMAQSYLAZ-UHFFFAOYSA-N 318.417 1.562 0 40 DDAB COc1cc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(OC)c1 101781475 IXLUKWQAVUSBKF-FQUUOJAGSA-N 321.329 1.521 0 40 DDAB O=c1[nH]/c(=C/C=C/c2ccccc2)c(=O)[nH]/c1=C\c1ccccc1 104203231 YLTIVBKUHJPOTM-PIVJERBCSA-N 316.360 1.386 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CN1C(=O)CSc2ccccc21 45447423 NTZNNCSPTNAZCV-NWDGAFQWSA-N 320.414 1.761 0 40 DDAB COc1ccc(NC(=O)NCc2ccnc(N(C)C)c2)cn1 48018635 GMEBCLQRDJMWRO-UHFFFAOYSA-N 301.350 1.873 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 170613078 RPVUQQKYFIJTBV-UPJWGTAASA-N 309.369 1.794 0 40 DDAB COc1ccc(/C=C2\NC(=S)N(C3CC3)C2=O)cc1OC 2788076 ZPZGZCJOYROGMV-XFFZJAGNSA-N 304.371 1.924 0 40 DDAB CCOC(=O)C1=C(CN[C@@H](C)c2cccc(F)c2)NC(=O)NC1 57996438 PQUURYVIYMZEGB-JTQLQIEISA-N 321.352 1.606 0 40 DDAB Cc1cc(CN2CCN(Cc3ncc(Cl)n3C)CC2)on1 48275507 RMNVQPBLYOMBTH-UHFFFAOYSA-N 309.801 1.688 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc(-n3cccn3)cc1)CC2 62640061 ZSQMPKZXMUFWOW-CQSZACIVSA-N 322.372 1.517 0 40 DDAB Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(F)c(F)c2)n1 97373450 YXHJXZOMFKNMLV-ZDUSSCGKSA-N 323.299 1.799 0 40 DDAB CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3881760 LLGXVYIDBJEJNB-RDBSUJKOSA-N 303.406 1.167 0 40 DDAB biogenic O=C(CN1C(=O)CNC1=O)Nc1ccc2c(c1)Cc1ccccc1-2 84576868 IWYIDRFXOCEKHQ-UHFFFAOYSA-N 321.336 1.748 0 40 DDAB CC(C)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccs1 49122510 UMRCBSVCGQWYOP-NSHDSACASA-N 316.448 1.673 0 40 DDAB COC(C)(C)CNS(=O)(=O)c1c(C)nn(CC(C)C)c1C 96009939 SWCAWDJMKURFEI-UHFFFAOYSA-N 317.455 1.859 0 40 DDAB CO[C@H]1CCC[C@@H]1OC(=O)CCS(=O)(=O)C1CCCC1 69661320 ZZBXXVVYTMKDOG-STQMWFEESA-N 304.408 1.845 0 40 DDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21 5026343 NUDTVJIHTSZPSQ-UHFFFAOYSA-N 310.375 1.696 0 40 DDAB O=C1CS[C@]2(CCS(=O)(=O)C2)N1c1ccc(F)cc1 5183020 GPGPDJWBAMSRFG-LBPRGKRZSA-N 301.364 1.420 0 40 DDAB Cc1cc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)no1 5165344 CMOSGHWLXBZNEU-UHFFFAOYSA-N 313.313 1.896 0 40 DDAB NC(=O)c1ccc(OCC(=O)c2ccc3c(c2)OCCO3)cc1 6290077 NNLFCUARKWLIKX-UHFFFAOYSA-N 313.309 1.818 0 40 DDAB O=C(NC[C@H]1CCOC1)C1CCN(c2ccc(Cl)nn2)CC1 65443052 LNZRIWGZWLHMMN-LLVKDONJSA-N 324.812 1.499 0 40 DDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2CCCO2)CC1 65594017 CKFUEPWVYGMGCR-GXTWGEPZSA-N 306.410 1.805 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1cccs1 5318435 PEEKNSKQOVEVJC-UHFFFAOYSA-N 314.370 1.212 0 40 DDAB Cn1ccnc1SCC(=O)NC(=O)Nc1ccccc1F 5358719 HBCHEYHBXCBJJX-UHFFFAOYSA-N 308.338 2.000 0 40 DDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CC(F)(F)F 95437826 LWQBTUUESHESCC-JTQLQIEISA-N 307.243 1.978 0 40 DDAB O=c1cc(-c2ccccc2)nc(NCCCN2CCOCC2)[nH]1 19793988 KCLOFZKUWUNJSD-UHFFFAOYSA-N 314.389 1.571 0 40 DDAB CC(C)OC(=O)COc1ccc(/C=C2/NC(=S)NC2=O)cc1 409187995 WFJCCBAKHSSVIK-KPKJPENVSA-N 320.370 1.362 0 40 DDAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1CCNC1=O 4878075 JSXFITXEBDHDED-UHFFFAOYSA-N 321.337 1.255 0 40 DDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccn2)c1 9468359 OJDSLWVABPVIEL-UHFFFAOYSA-N 319.386 1.941 0 40 DDAB COc1ccc2nc(S[C@@H](C)C(=O)N3CCNC3=O)[nH]c2c1 7096176 ZNQWSNYSWOLXSP-QMMMGPOBSA-N 320.374 1.604 0 40 DDAB C/C(=C/c1ccc(F)cc1)C(=O)NCC(=O)Nc1cn[nH]c1 95407894 HWBSYSGNUACUAP-POHAHGRESA-N 302.309 1.707 0 40 DDAB NS(=O)(=O)CCN1CCC[C@H]1[C@@H]1CCCc2ccccc21 95407312 YFYJZNJCXFUCKB-CVEARBPZSA-N 308.447 1.859 0 40 DDAB CC1(C)C(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1(C)C 81319372 DJNULWYZEYZMHY-ZDUSSCGKSA-N 321.465 1.609 0 40 DDAB Cc1cc(C)n(C[C@@H]2CN(c3ncnc4c3CCC4)CCO2)n1 69349836 BEIMJTKBWFBUMZ-AWEZNQCLSA-N 313.405 1.684 0 40 DDAB Cc1csc2nc(CSc3nnnn3C3CC3)cc(=O)n12 8313867 OIZMWZDTKJUZIA-UHFFFAOYSA-N 320.403 1.678 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)c1 69436922 NVMLOGCGTNEPEJ-INIZCTEOSA-N 314.389 1.191 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@H]1CCCCO1)C2 69454710 FRLASYQHTZRFEW-QWHCGFSZSA-N 322.409 1.157 0 40 DDAB C[C@H](SC[C@H](O)c1ccccc1)C(=O)NC(=O)NC1CC1 69454367 RJMDYXUEGOUUIW-GWCFXTLKSA-N 308.403 1.830 0 40 DDAB COc1cccc(OCC(=O)NCc2nnc(C3CC3)n2C)c1 95465067 QNCICJBGXVEOJN-UHFFFAOYSA-N 316.361 1.396 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)C[C@H]2CCCO2)CC1 69923254 MCQNHSKKCGSMEG-OAHLLOKOSA-N 320.437 1.506 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1CCCCC1 69927235 PNVFELLEYGOPPQ-JKSUJKDBSA-N 307.438 1.474 0 40 DDAB COc1ccccc1N1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 8728124 CURKEOJMKMHUNP-UHFFFAOYSA-N 313.357 1.291 0 40 DDAB Cn1cc(Br)cc1C(=O)N[C@H](C(N)=O)C(C)(C)C 87353322 VYPFLTOXJCFUFJ-SECBINFHSA-N 316.199 1.417 0 40 DDAB Cc1cccc(CNC(=O)Cn2nc(C)c(CCO)c2C)c1 95939573 DREBHVDFCRDAGX-UHFFFAOYSA-N 301.390 1.660 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CCO 95999828 NOXTVPCXDJMJNA-MRXNPFEDSA-N 301.390 1.855 0 40 DDAB Cc1cc(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)n(C)n1 95991656 TYHDYAWUTFSERD-ULKWEWGCSA-N 307.394 1.780 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)N1CC[C@@H]2CCCC[C@H]21 74567437 OJXFYWWOCZANPJ-WDEREUQCSA-N 321.343 1.981 0 40 DDAB CCc1nc2ccccc2n1CC(=O)N1CCN(C)C[C@@H]1C 89295848 XOXLRPPNRGCIGB-ZDUSSCGKSA-N 300.406 1.761 0 40 DDAB C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn2cccnc2n1 89497019 JDSCJGYZLITLBQ-CYBMUJFWSA-N 309.373 1.778 0 40 DDAB COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2nnc3n2CCC3)c1 89469878 SRAAFIAJBGDZGR-KBPBESRZSA-N 312.373 1.653 0 40 DDAB CCn1nccc1CNC(=O)c1cc(C(F)(F)F)nn1C 28235526 SAQOPKGACPAOGW-UHFFFAOYSA-N 301.272 1.585 0 40 DDAB O=S(=O)(Nc1nnc[nH]1)c1ccc(Br)c(F)c1 76068273 PICFJAUWTDMCLB-UHFFFAOYSA-N 321.131 1.507 0 40 DDAB COC[C@H]1CN(C(=O)NCCc2ccccc2Cl)CCO1 76086452 UWLZKGRNYVVKFG-CYBMUJFWSA-N 312.797 1.939 0 40 DDAB O=C(NCCO)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 408970401 HJHKFTADTSYDEE-UHFFFAOYSA-N 310.781 1.301 0 40 DDAB CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC1=O 34928951 CPVQVSILCQNSOF-NSHDSACASA-N 304.346 1.970 0 40 DDAB CCOC(=O)[C@@]1(F)CN(c2cc(C)nc(C)n2)CC12COC2 521398563 PBGXSKFNLAJAQO-HNNXBMFYSA-N 309.341 1.201 0 40 DDAB COc1nc(C)cc(NC(c2nccn2C)c2nccn2C)n1 528130639 MIRUKEWUTOLUTK-UHFFFAOYSA-N 313.365 1.462 0 40 DDAB C[C@H](N)C(=O)N1CCC[C@H](N(C)C(=O)OCc2ccccc2)C1 79412768 IHYFHZVQFKSFPY-ZFWWWQNUSA-N 319.405 1.593 0 40 DDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC 217707723 YTBDBXBPQFBSGA-SECBINFHSA-N 300.380 1.893 0 40 DDAB COc1ccc2nnc(CCCC(=O)Nc3cccnc3)n2n1 71285069 OROQNIUUMIYKRM-UHFFFAOYSA-N 312.333 1.489 0 40 DDAB CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1O 39953616 QOMMDHDGIYADCQ-JNWWKETESA-N 312.387 1.300 0 40 DDAB in-vitro CS(=O)(=O)N1CCC[C@@H]1c1nccnc1N1CCCCCC1 72364803 MOTGJWLLMLEAQJ-CYBMUJFWSA-N 324.450 1.954 0 40 DDAB COc1ccc2nnc(CCCC(=O)Nc3ccncc3)n2n1 79486137 KRTNCUFTGWXCDL-UHFFFAOYSA-N 312.333 1.489 0 40 DDAB CC(C)NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 44920819 NRFXRBXSWBEQHG-UHFFFAOYSA-N 304.394 1.035 0 40 DDAB O=C(NCc1nccs1)N1CCC[C@@H](CN2CCOCC2)C1 78995023 VZBSNPSSAMEAMX-ZDUSSCGKSA-N 324.450 1.397 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1 225675856 CANJVEZMVVFUMZ-UHFFFAOYSA-N 322.342 1.208 0 40 DDAB O=C(Cc1ccn(CC(F)(F)F)n1)N[C@]12CCC[C@H]1NCC2 1580573354 HXZXWGRODYOYKG-YPMHNXCESA-N 316.327 1.389 0 40 DDAB CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)C2CC2)C1 192941021 YUMJSFYCIBJTHK-AWEZNQCLSA-N 309.435 1.328 0 40 DDAB CCNC(=O)NCCNC(=O)c1ccc(Br)cc1 48708071 FCHWSHVHVWQPGO-UHFFFAOYSA-N 314.183 1.498 0 40 DDAB CCOCCCN1CC[C@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](C)C1 195530323 BRKLRYQWJKYTMW-XHSDSOJGSA-N 322.453 1.697 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N(C)CCn1cccn1 195244094 WTNBMLFFNUGKGV-UHFFFAOYSA-N 309.391 1.521 0 40 DDAB O=C(NCc1cccnc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 96200355 ZNUXJFYYFRPKRY-IRXDYDNUSA-N 311.385 1.969 0 40 DDAB 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DDAB C[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1F 60377327 UNDBQNPWFVQZQF-QMMMGPOBSA-N 301.159 1.909 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1 96098074 OPQFFEZYFZZATJ-LLVKDONJSA-N 301.795 1.528 0 40 DDAB Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1C 5015393 VUNWSZPRTFPUTC-UHFFFAOYSA-N 316.357 1.821 0 40 DDAB Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12147726 WGKZIZNUJMDCSU-UHFFFAOYSA-N 322.346 1.158 0 40 DDAB CCN1CCN(c2ccc(N3C(=O)[C@H](C)NC3=S)cc2)CC1 12534625 UXDXBUDOAQDOGV-LBPRGKRZSA-N 318.446 1.438 0 40 DDAB COc1ccccc1NC(=O)CCc1c(C)nc(C)[nH]c1=O 12984281 WPQIUPGYVWQWBY-UHFFFAOYSA-N 301.346 1.967 0 40 DDAB CC(=O)NC(=S)Nc1ccccc1N1CCN(C(C)=O)CC1 14257846 TXJZIMQWWRXTFF-UHFFFAOYSA-N 320.418 1.188 0 40 DDAB Cc1nc(CNC(=O)c2ccc(F)c(-n3cccn3)c2)no1 19286067 VVIMHZUSWOQJFG-UHFFFAOYSA-N 301.281 1.633 0 40 DDAB CN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1 19789816 UEQSRFKBWLOPFU-UHFFFAOYSA-N 319.792 1.253 0 40 DDAB O=C(NCCOC[C@@H]1CCCO1)c1noc2c1CCCCC2 153561580 OTJIHEHDIFKTTE-LBPRGKRZSA-N 308.378 1.869 0 40 DDAB COCCNC(=O)NCC1CCN([C@@H]2CCSC2)CC1 225576190 SCIAQMFXHSHDBH-CYBMUJFWSA-N 301.456 1.150 0 40 DDAB COC(=O)C1CN(C(=O)c2ccnc(O[C@H]3CCSC3)c2)C1 225724769 URGXDHFYIKCUHW-LBPRGKRZSA-N 322.386 1.211 0 40 DDAB Cn1cncc1CN1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 643914852 YBPQEPFPWSJVDX-RDJZCZTQSA-N 319.380 1.964 0 40 DDAB Cc1cc(NC(=O)CN2CCC(O)(c3ccccc3)CC2)no1 12144515 YKTZOODAGRDQSP-UHFFFAOYSA-N 315.373 1.905 0 40 DDAB Cc1noc(C)c1C(=O)N1CCC[C@H](Oc2ccncn2)C1 575606189 SUAXWSKUILSOAV-LBPRGKRZSA-N 302.334 1.765 0 40 DDAB Cn1nccc1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 585149451 SUQLTJVRCVTHPC-NSHDSACASA-N 315.377 1.775 0 40 DDAB CCc1ocnc1C(=O)NC[C@H]1CN(C[C@@H](C)CC)CCO1 1035320653 RIEOJGMJGDJKCZ-STQMWFEESA-N 309.410 1.714 0 40 DDAB CCc1cnc(OC2CCN(Cc3cncn3C)CC2)nc1 1888843457 WJYRVPHEXVEKPA-UHFFFAOYSA-N 301.394 1.816 0 40 DDAB CCc1nc(N2C[C@@H]3CN(C(=O)C4CC4)C[C@H]3C2)nc(O)c1F 1888849851 AYEMSHDPSKTJEC-QWRGUYRKSA-N 320.368 1.188 0 40 DDAB NC(=O)[C@H]1CCCN1c1ncc2cc(Br)ccc2n1 1889103564 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305.426 1.872 0 40 DDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32912254 CNRLXQIBLGBXAN-YPMHNXCESA-N 323.370 1.013 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(N2CCNC2=O)cc1 52749827 YLIJXGQILUMKMY-GFCCVEGCSA-N 313.361 1.231 0 40 DDAB CCCNC(=O)CNC(=O)CC[C@H]1Cc2ccccc2NC1=O 22692495 BMTVURLRPASOCN-ZDUSSCGKSA-N 317.389 1.220 0 40 DDAB CCc1nc(COC(=O)c2nc3nccc(C)n3n2)cs1 23367822 CFBGWOHZEQUGPA-UHFFFAOYSA-N 303.347 1.809 0 40 DDAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 42647307 HHECCGZJGWZZJJ-LBPRGKRZSA-N 305.330 1.626 0 40 DDAB CC[C@H](CO)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 47599478 RVWZZMSFWYPNJE-ZIAGYGMSSA-N 309.410 1.877 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1N(C)C 78894928 BYJSRTTTZYKDOK-JSGCOSHPSA-N 302.378 1.547 0 40 DDAB COc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCC3)cc1OC 1796195 ZDHQFKQMEKQIED-UHFFFAOYSA-N 302.330 1.435 0 40 DDAB CC[C@H](C(=O)NC[C@@H]1CCCO1)n1cc(Br)cn1 2804210 ZQCQIBXEJWXWHT-WDEREUQCSA-N 316.199 1.892 0 40 DDAB Cc1cccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)c1 3198021 MGFFOQBYXVXKPV-UHFFFAOYSA-N 313.379 1.907 0 40 DDAB COc1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1 3662053 IMTCFEKQVUUWQH-UHFFFAOYSA-N 312.325 1.920 0 40 DDAB biogenic COCCCNC(=O)CSc1nnc(C)n1-c1ccccc1 6109246 BRODZSFBZXCZMK-UHFFFAOYSA-N 320.418 1.821 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6453266 NRTXGKDVQAIEOG-IFFSRLJSSA-N 321.354 1.996 0 40 DDAB O=S(=O)(N[C@@H]1CCCN([C@H]2CCOC2)C1)c1ccccc1 108157323 NTGZXGYKLAEQMO-KGLIPLIRSA-N 310.419 1.218 0 40 DDAB CCOC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 1791525 VBOKEVSPBJYGQY-ZETCQYMHSA-N 310.375 1.473 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CN)cc1Cl 44556436 RVTQHXCYRIDITR-JTQLQIEISA-N 318.826 1.851 0 40 DDAB Cn1cc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cn1 44576856 YJOGNIGZXKZVKY-UHFFFAOYSA-N 319.409 1.220 0 40 DDAB COc1ccc(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cn1 44893947 NDDMTOHVNSOUEU-ZBEGNZNMSA-N 314.341 1.935 0 40 DDAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NC(C)C)c1=O 44840415 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318.373 1.936 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1nc2ccccc2s1 20614734 OWSRGKNJWSYYKF-UHFFFAOYSA-N 302.315 1.980 0 40 DDAB Cn1c(C(=O)Nc2ccon2)cc2c(=O)n3ccccc3nc21 11691374 LFHKMFAOBHWDJI-UHFFFAOYSA-N 309.285 1.427 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100648945 STPIRLCPRPCNDK-FXAPSIEYSA-N 301.298 1.521 0 40 DDAB CCOc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 3242051 ZYXBNNFHOPHJFO-CQSZACIVSA-N 307.346 1.537 0 40 DDAB C[C@H]1CN(C(=O)NCc2cccnc2-n2cccn2)C[C@H](C)O1 46095719 YVBLJPRBXXAVFG-STQMWFEESA-N 315.377 1.586 0 40 DDAB NC(=O)[C@H]1CC(=O)N(Nc2ncc(C(F)(F)F)cc2Cl)C1 2561471 SYYLQTAXFROVCV-YFKPBYRVSA-N 322.674 1.415 0 40 DDAB COc1ccc(NC(=S)NCCNC(C)=O)cc1Cl 2729915 XJNMHUZKJRLGEE-UHFFFAOYSA-N 301.799 1.771 0 40 DDAB Cc1cc2c(cc1CN1C[C@H]3CCCN3C[C@@H]1CCO)OCO2 22835239 ILSYQXPGAZCPII-CVEARBPZSA-N 318.417 1.755 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 48235381 OKQNVIHRNMMBHI-UONOGXRCSA-N 320.368 1.719 0 40 DDAB C[C@@H](NC(=O)NCc1cccnc1-n1cccn1)[C@H]1CCCO1 48253118 XGJUEHGWALBYNF-TZMCWYRMSA-N 315.377 1.634 0 40 DDAB Cc1cccc(OCC(=O)NCCCCN2CCOCC2)c1 48284598 ZVMOKAZLAMPMAN-UHFFFAOYSA-N 306.406 1.602 0 40 DDAB Cc1ccc(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 3328665 ICFLWDLGHWYRGH-UHFFFAOYSA-N 323.352 1.315 0 40 DDAB CC(C)CNC(=O)COC(=O)c1cncc(Br)c1 3317767 LBTMGNMQSQIPGT-UHFFFAOYSA-N 315.167 1.773 0 40 DDAB O=C(COC(=O)/C=C/c1ccc(Br)o1)NC1CC1 3399526 PPEYFZQLPHJGMM-GQCTYLIASA-N 314.135 1.877 0 40 DDAB CCCNC(=O)NC(C)(C)C(=O)NCCCn1nc(C)cc1C 48325524 KDXIAMUPGCYLQM-UHFFFAOYSA-N 323.441 1.494 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(OC)cc2)C1 48468162 DARFIGQMYQORCG-CQSZACIVSA-N 320.389 1.975 0 40 DDAB CCOC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1CC 13069458 ITKDFDFVRPSODR-FRRDWIJNSA-N 323.437 1.873 0 40 DDAB Clc1cc(-c2nc([C@H]3COCCN3)no2)cc2c1OCO2 96001479 CYNAYCNICGRCFC-SECBINFHSA-N 309.709 1.780 0 40 DDAB C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)n1cccn1 65449785 MOSWNCNQKCHXHI-QWHCGFSZSA-N 300.366 1.019 0 40 DDAB CCOC(=O)c1cnn(CC(=O)N(CC)CC)c1C(F)F 65475802 CVXRJOAQAQJQBM-UHFFFAOYSA-N 303.309 1.866 0 40 DDAB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cn1 4510871 QATILWOIENBOMF-UHFFFAOYSA-N 312.373 1.643 0 40 DDAB O=C(CSc1nnnn1C1CC1)NCCc1cccs1 14231654 OEYUMYKWAACYIL-UHFFFAOYSA-N 309.420 1.521 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)[C@@H]1CCCO1 14221043 SZEYEKILDFFQCL-WPRPVWTQSA-N 313.404 1.537 0 40 DDAB Cc1ccc(/C=C/S(=O)(=O)Nc2cnn(CCO)c2)cc1 67659891 GNCAUXXDOBADCD-RMKNXTFCSA-N 307.375 1.596 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)NCCN2CCOCC2)c1C 20106266 AIUZNXPGKRXAQO-HNNXBMFYSA-N 306.406 1.519 0 40 DDAB COC(=O)C1CCN(CC(=O)Nc2cc(C)ccc2OC)CC1 7636765 CNCZGVVSGNSTRE-UHFFFAOYSA-N 320.389 1.827 0 40 DDAB Cc1cc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)no1 7640484 SJAPZVWJBPINAI-UHFFFAOYSA-N 303.318 1.782 0 40 DDAB Cc1ccc(N2C(=O)[C@@H]3ON=C(c4cccnc4)[C@H]3C2=O)cc1 16007529 CNSQTPWCHATLQE-UKRRQHHQSA-N 307.309 1.683 0 40 DDAB C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2nc(C(=O)O)cs2)[C@H]1C 90940567 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C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)OCC(N)=O 71900804 PHHZMQWCECJDDO-LLVKDONJSA-N 314.341 1.873 0 40 DDAB Cn1c(S)nc2cc(C(=O)NCc3ccco3)ccc2c1=O 17305055 YQUBGEMBHSNVQF-UHFFFAOYSA-N 315.354 1.745 0 40 DDAB Cn1cnc(CNC(=O)N2CCO[C@H](c3ccccc3F)C2)n1 91773902 WULIIFDTHWCFBR-ZDUSSCGKSA-N 319.340 1.237 0 40 DDAB CN1CCCC[C@H]1CN1CCN(C(=O)NCC2CCCC2)CC1 69665700 CBHJAHJBPMMIII-KRWDZBQOSA-N 322.497 1.988 0 40 DDAB CCN1CCN(C2CCN(Cc3nnc(C4CC4)o3)CC2)C1=O 69699271 CKIASSCKDDUUFN-UHFFFAOYSA-N 319.409 1.669 0 40 DDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cn1 69775081 WSWOBWCSFDDGOU-CYBMUJFWSA-N 313.361 1.115 0 40 DDAB Cc1c(NC(=O)c2ccccc2-n2ccnn2)cccc1C(N)=O 97085476 SWJBIQHCXCLZIY-UHFFFAOYSA-N 321.340 1.927 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCS(C)(=O)=O 72253985 RTGNBQOFMDAWOL-SNVBAGLBSA-N 305.831 1.563 0 40 DDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1 97164794 UUVQEBFPRZASFN-QMMMGPOBSA-N 317.267 1.334 0 40 DDAB O=C1CC[C@H](COC(=O)c2c[nH]nc2-c2ccc(F)cc2)N1 97147532 GGTZQPMPZRFDGK-LLVKDONJSA-N 303.293 1.651 0 40 DDAB CC(C)[C@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1N 97147739 YEPNVOLCUWOMOI-AWEZNQCLSA-N 308.407 1.678 0 40 DDAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cscn1 97237895 UBLHMXGEMOHALL-CQSZACIVSA-N 317.414 1.640 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Cl)cn1C 22003150 RBPFGVLGZGHQER-ZETCQYMHSA-N 301.730 1.070 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)Nc1cccnc1-n1cccn1 89938211 HLNUNCWUJYOPEV-LBPRGKRZSA-N 300.366 1.435 0 40 DDAB CS(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1Cl 61341719 GFBWIDMMDXNBOE-UHFFFAOYSA-N 318.782 1.184 0 40 DDAB Cc1cc(C)c(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1 1548453968 JUCVWQJFZODGKO-CYBMUJFWSA-N 316.405 1.509 0 40 DDAB COCCCN1C[C@]2(CCCCN2C(=O)c2cc[nH]n2)CC1=O 63527165 QUGSEQWWOXESGK-INIZCTEOSA-N 320.393 1.043 0 40 DDAB COCCN1CC[C@]2(CN(C)C[C@H]2c2cn(C(C)C)cn2)C1=O 306127803 GIBMRDCYRHTDHV-WMLDXEAASA-N 320.437 1.358 0 40 DDAB O=C1C[C@@H](C(=O)N2CCOCC23CCC3)CN1CC(F)(F)F 152344637 CYNNBCREJALGIH-SNVBAGLBSA-N 320.311 1.179 0 40 DDAB C[C@]1(C(=O)O)CCN(C(=O)c2cncc(Br)c2)C1 62913097 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40 DDAB O=S(=O)(Cc1ccccn1)c1nc(Cc2cccs2)n[nH]1 195162174 TXJHFCWIRKVKGN-UHFFFAOYSA-N 320.399 1.826 0 40 DDAB COC(=O)[C@@H]1CC(c2cnc(CCc3ccccc3)nc2)=NO1 226081547 XLANPTSDNDUQAV-HNNXBMFYSA-N 311.341 1.928 0 40 DDAB Cc1cccc(N2CCC(N3CCS(=O)(=O)CC3)CC2)n1 225602744 DJLBECMWGOQGCL-UHFFFAOYSA-N 309.435 1.089 0 40 DDAB CC(C)n1cc([C@H](C)NCC(C)(C)NS(C)(=O)=O)cn1 89582256 MWRLERVNYHMURV-NSHDSACASA-N 302.444 1.442 0 40 DDAB Cc1occc1S(=O)(=O)CC(=O)N1CCc2ccccc2C1 191098461 YOHYEDFFWWKQIS-UHFFFAOYSA-N 319.382 1.947 0 40 DDAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1(CO)CC1 97096035 KVIHDGKZBKSJIJ-UHFFFAOYSA-N 317.172 1.364 0 40 DDAB COCCN1CCO[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2C1 96249603 HMGHOPJVAFQXEN-SJLPKXTDSA-N 322.424 1.995 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C 96109539 HZWDMXWSEOMPOP-LLVKDONJSA-N 301.350 1.345 0 40 DDAB CC1(C)OC(=O)C[C@@H]1C(=O)NCCn1cnc2ccccc21 96231637 GDPAFINSRDPPRE-LLVKDONJSA-N 301.346 1.494 0 40 DDAB CC(C)[C@H](C(=O)NC[C@@](C)(O)c1cnn(C)c1)N1CCCCC1 96450404 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CCOC(=O)c1nn(-c2ccccc2)c(N)c1C(=O)OCC 96306075 ZUSIXOGDVFSMDF-UHFFFAOYSA-N 303.318 1.808 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(Cc1cccnc1OC)C2 248135001 OFWGCWBGSPVHBH-AWEZNQCLSA-N 305.422 1.633 0 40 DDAB CN(C)C[C@@H]1CCC2(CN(C(=O)Cc3ccccc3F)C2)OC1 248132704 QTZKKVKHQDHZSZ-AWEZNQCLSA-N 320.408 1.937 0 40 DDAB CCN1CCC[C@H](NC(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)C1 252498616 RGEPVLGRNLCEKR-DVOMOZLQSA-N 311.426 1.311 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)Cc2ccc3c(c2)CCCC3)CCO1 257283801 OZWZRVSQFPFZSU-SFHVURJKSA-N 316.401 1.211 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@]2(C(N)=O)c2cnccn2)cc1 257201921 AJQGJACBGYZCPP-KRWDZBQOSA-N 310.357 1.402 0 40 DDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cc2csc(C)n2)[C@H]1O 257206788 BEWQHGNIWISBRR-UMVBOHGHSA-N 312.435 1.771 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2ccncc2)C1 257230488 GCNUJMJBERGTNW-HNNXBMFYSA-N 300.362 1.564 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2cncs2)n1 257309687 UBYAWFYFNADGLR-CQSZACIVSA-N 317.418 1.906 0 40 DDAB O=C1CN(Cc2ncc(-c3ccccc3C(=O)O)s2)CCN1 257213754 CIYYAKYMEMNEHL-UHFFFAOYSA-N 317.370 1.440 0 40 DDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 26746908 OYNYOBCMUYQBNK-UHFFFAOYSA-N 316.810 1.534 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnc(C)cn2)[C@@H](c2ccccc2)C1 257280231 OKAJHUDTHDSOCT-QGZVFWFLSA-N 324.384 1.831 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257240351 HTCILALJJDFYOR-ZDUSSCGKSA-N 324.344 1.041 0 40 DDAB CCOC(=O)[C@](C)(O)CN1CCC(C)=C(Br)C1 280484607 AJIQZRRBLAETDE-GFCCVEGCSA-N 306.200 1.675 0 40 DDAB COc1ccc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)c(F)c1 585104718 RZSLFSLRVCPHKH-KRWDZBQOSA-N 322.380 1.515 0 40 DDAB COc1cccc(CN(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F 585290417 BZTWQVQHDWOOMC-XPKDYRNWSA-N 313.369 1.695 0 40 DDAB CN1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 585288927 BSVUBFHWGOVQCA-GVDBMIGSSA-N 308.397 1.734 0 40 DDAB CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(CC(C)C)C3)C1 585112720 UKEOXKYVOGBJGM-GFCCVEGCSA-N 307.394 1.550 0 40 DDAB CCS(=O)(=O)CCN1Cc2cccn2C[C@H](CCOC)C1 585095550 WPWYOXBDWHNPOK-CQSZACIVSA-N 314.451 1.391 0 40 DDAB O=C1NC2(CCSCC2)C(=O)N1C[C@H](O)c1cccc(F)c1 69570781 GCADZEIUIWMUOB-LBPRGKRZSA-N 324.377 1.677 0 40 DDAB CCC[C@@H](C(=O)OCC)N1CCN(C(=O)[C@H]2CCCO2)CC1 69968977 GDNOZEHRVOFDRY-UONOGXRCSA-N 312.410 1.041 0 40 DDAB O=C(NCCS(=O)(=O)[C@H]1CCc2ccccc2C1)C1CC1 899503131 GPCZUDGTNBYXDL-HNNXBMFYSA-N 307.415 1.485 0 40 DDAB NC(=O)CN(CC(=O)NCCc1ccsc1)C1CCCC1 52844033 DMPCJMCRJGYUDP-UHFFFAOYSA-N 309.435 1.137 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCO[C@@H]2CCCC[C@@H]21 40149709 VXQHMLUKKZXMPJ-GOEBONIOSA-N 323.414 1.954 0 40 DDAB Cc1nc(CC(=O)N[C@H](CN2CCOCC2)C(C)C)cs1 79071102 JNQHQCOJJMMLNN-CQSZACIVSA-N 311.451 1.467 0 40 DDAB CN(C(=O)NCC(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O 75139338 GXBQJMPDVKPQCT-NSHDSACASA-N 315.295 1.996 0 40 DDAB NC(=O)NCCCOC(=O)c1cccc(Br)c1 76090455 DDAHACAHEFKHQW-UHFFFAOYSA-N 301.140 1.664 0 40 DDAB Cn1cc(CC(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 76093121 ZYZDINSSYGNCKM-OAHLLOKOSA-N 301.390 1.737 0 40 DDAB CC(=O)NCCCNS(=O)(=O)C1=Cc2ccccc2CC1 40497373 XLQNJEJWBKFASG-UHFFFAOYSA-N 308.403 1.419 0 40 DDAB CCc1cccc(NC(=O)CN2CCO[C@H](C(=O)OC)C2)c1 103149549 BJLOBNYFLWZSEB-AWEZNQCLSA-N 306.362 1.061 0 40 DDAB CCCC(=O)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615158832 GKENFPMVSDGFIT-LSDHHAIUSA-N 301.427 1.708 0 40 DDAB CCc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1 5009088 AVOOBKODFKPAAM-UHFFFAOYSA-N 305.359 1.769 0 40 DDAB CCCc1cc(CNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)on1 12192315 FWALNUXLBSFJLR-CQSZACIVSA-N 317.349 1.170 0 40 DDAB CC(=O)N[C@@H]1CN(C)C2(CCN(CCc3ccccc3)CC2)C1 19704832 PERQPPDMTXSQFH-SFHVURJKSA-N 315.461 1.904 0 40 DDAB O=C(Cn1cncn1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220754188 SFMBFBNEMMXTQG-LLVKDONJSA-N 316.365 1.020 0 40 DDAB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864314 XMQQXKSOEWZXLH-AWEZNQCLSA-N 323.462 1.773 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NCc1ccc(F)cc1 2634563 RVDOQIROZYRVJZ-UHFFFAOYSA-N 316.332 1.881 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 4477210 JGEQFOKUVGZKHN-KRWDZBQOSA-N 317.389 1.712 0 40 DDAB C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccccc2O)CC1 18708983 AURMSMYYKXRQTE-OAHLLOKOSA-N 317.433 1.915 0 40 DDAB O=C(NCC1(N2CCOCC2)CCC1)c1noc2c1CCCC2 1888834668 BKRNVJJUUYICIJ-UHFFFAOYSA-N 319.405 1.538 0 40 DDAB COC1CCN(S(=O)(=O)c2ccc(C)c(C(=O)O)c2)CC1 13454893 JHZGGFIMNPAQSQ-UHFFFAOYSA-N 313.375 1.493 0 40 DDAB COc1ccnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1888849951 URRUKAIUXSCWHR-GFCCVEGCSA-N 322.434 1.277 0 40 DDAB COCc1nsc(N2CCC(COc3cnccn3)CC2)n1 1889104376 GKBZZGLJFFTARM-UHFFFAOYSA-N 321.406 1.770 0 40 DDAB Cc1nc(CN2CCN(C(=O)C3CC3)CC2)nc2ccccc12 24597736 DHQMRDNBHUERBQ-UHFFFAOYSA-N 310.401 1.992 0 40 DDAB CN(C)CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037905556 FCYHPCBUBDXSPD-KRWDZBQOSA-N 324.396 1.510 0 40 DDAB Cc1nn(C)c(C)c1CN1CCO[C@]2(CCCCN(C)C2=O)C1 2037983604 AADUSMRJMFGEET-QGZVFWFLSA-N 320.437 1.250 0 40 DDAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1ccncc1OC)C2 1565553826 KVUBDIPYODFPPR-DOTOQJQBSA-N 320.389 1.748 0 40 DDAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(C)no2)nn1 11027496 RBSLHBNPJLXSIR-UHFFFAOYSA-N 307.335 1.462 0 40 DDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055715727 FACXSPUIRMHYSE-STQMWFEESA-N 320.437 1.746 0 40 DDAB CN(C)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 40105599 FBXWHFYPEOTMOZ-CQSZACIVSA-N 308.407 1.001 0 40 DDAB Cn1c(Cl)cnc1CN1Cc2ccccc2C[C@H]1C(N)=O 50274410 BQVROXVCZFGEDU-LBPRGKRZSA-N 304.781 1.486 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1cccc(F)c1 40468186 GLABRARFWJGAOY-GWCFXTLKSA-N 314.382 1.427 0 40 DDAB O=C1CN(C(=O)/C=C/c2c(Cl)nc3sccn23)CCN1 40473751 MWGWPFLXHWKWFZ-OWOJBTEDSA-N 310.766 1.021 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1cc(Cl)nc(N)n1 40490486 WSWYYMIIPSRYJL-UHFFFAOYSA-N 316.752 1.585 0 40 DDAB COc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCCNC2=O)cc1 40521840 GDPYRBJGTMWYFC-FZMZJTMJSA-N 306.362 1.247 0 40 DDAB CN1CCN(CC(=O)NCC23CC4C[C@H](CC[C@@H](C4)C2)C3)CC1 101024374 XAHBIZKDIFOXBS-XNYRCJLNSA-N 319.493 1.957 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccc2oc(=O)ccc2c1 32089467 PGQQPIFEQIFSAX-UHFFFAOYSA-N 311.253 1.534 0 40 DDAB CCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC 32060206 MADZOAIVGHLYDK-UHFFFAOYSA-N 318.377 1.368 0 40 DDAB COc1cc(F)c(S(=O)(=O)NC[C@@H]2C[C@@H]2C)cc1OC 32474601 HKFDQQSIXBYFMO-IUCAKERBSA-N 303.355 1.777 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)NCCCOC(C)C)cc1 32796471 RSCCYTLWLYDGPO-JXMROGBWSA-N 304.390 1.991 0 40 DDAB CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCCO2)cc1 47580195 LSIQRYOEWAZPFD-GFCCVEGCSA-N 312.391 1.068 0 40 DDAB COc1cccc(NC(=O)[C@H]2CC(=O)n3cnnc3S2)c1 208954 BPXXZHVSAQGMTQ-SNVBAGLBSA-N 304.331 1.430 0 40 DDAB Cc1cc(C[C@H](N)C(=O)O)cc(I)c1O 1713868 PSMHBIGEJVXVAU-QMMMGPOBSA-N 321.114 1.260 0 40 DDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3ccco3)C2)n[nH]1 78901551 SCRLEKDLKAANNZ-LLVKDONJSA-N 316.361 1.440 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cnc2ccccc2n1 43509874 QDKWBKOZWHRGRT-AWEZNQCLSA-N 303.343 1.320 0 40 DDAB O=C(O)CCCNC1=N/C(=C/c2ccccc2Cl)C(=O)N1 8782901 BOIIEIGRICLRIW-DHZHZOJOSA-N 307.737 1.621 0 40 DDAB COc1ccc(C)cc1[C@@H](O)Cn1cnc2ncccc2c1=O 58171444 ILHSARLDDBFICW-AWEZNQCLSA-N 311.341 1.842 0 40 DDAB Cc1cc(OCC(=O)N2CCN(c3nccs3)CC2)no1 10270187 BOIWQHBGGJTZGK-UHFFFAOYSA-N 308.363 1.167 0 40 DDAB Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2F)n1 58232305 KQKXLSRGGHBNBB-UHFFFAOYSA-N 317.273 1.197 0 40 DDAB CCN(CC)S(=O)(=O)N(C)Cc1ccc(C(=O)OC)cc1 58210890 VBKGIUYKPRVUPZ-UHFFFAOYSA-N 314.407 1.492 0 40 DDAB Cc1cccc(C)c1OCC(=O)N(C)CCN1CCOCC1 58342323 PNMFRCGKMHNMRY-UHFFFAOYSA-N 306.406 1.473 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2nc(O)c3[nH]cnc3n2)cc1C 28249507 HDDYFUMJJPIKPQ-UHFFFAOYSA-N 319.346 1.476 0 40 DDAB CCn1c(CN(C)[C@@]2(CO)CCOC2)nc2cc(F)ccc21 95469391 URUBOSNCTIIXBN-MRXNPFEDSA-N 307.369 1.779 0 40 DDAB CCOCCN1CCN(c2cncc3nccn23)C[C@@H]1CC 95458363 YKBMKVKRGLTWRI-AWEZNQCLSA-N 303.410 1.666 0 40 DDAB COC(=O)c1ccc(NC(=O)CC2=NSN=C(C)N2N)cc1 57369614 SWJCXOKPMNXPEM-UHFFFAOYSA-N 321.362 1.371 0 40 DDAB CC(C)(C)c1nc(CN2CCN(c3cnccn3)CC2)no1 46057937 QEEVDSIWLRGSRE-UHFFFAOYSA-N 302.382 1.479 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 100867352 USMJRFMICLNYFG-RFHZTLPTSA-N 315.325 1.935 0 40 DDAB CC1(C)COC2(OC1)C1=NS(=O)(=O)C[C@@]13CC[C@H]2C3(C)C 102970699 FBPXNLZNHSTVTN-HZMBPMFUSA-N 313.419 1.976 0 40 DDAB Cc1cc(C)c(C(=O)NCCC(=O)N2CCCC[C@@H]2C)c(=O)[nH]1 73245666 GVKBVLAZBDEQLG-ZDUSSCGKSA-N 319.405 1.513 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C 48232243 JAMAUXBLIFJZLD-ZDUSSCGKSA-N 301.350 1.226 0 40 DDAB O=C(c1ccc(O)cc1)N1CCN(c2ncnc3c2CCC3)CC1 95966022 ZHLJUKYABUCSCJ-UHFFFAOYSA-N 324.384 1.633 0 40 DDAB COC(=O)Cc1ccc2c(c1)NC(=O)[C@H](CCOC(C)=O)O2 4038039 VCVPFQGHDAEGIG-ZDUSSCGKSA-N 307.302 1.055 0 40 DDAB O=C(CN(C[C@@H]1CCCO1)C1CCCC1)Nc1nncs1 72716350 GDELNUVZHYTUEI-LBPRGKRZSA-N 310.423 1.900 0 40 DDAB NC(=O)C1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 13735758 ZHXDJMUOLLDZPK-UHFFFAOYSA-N 306.753 1.325 0 40 DDAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)cc1 13735696 JJKMFCLWKDLGNK-NSHDSACASA-N 301.306 1.117 0 40 DDAB COc1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1 5120774 MFMOCYNNMPXXNU-UHFFFAOYSA-N 307.327 1.562 0 40 DDAB CCN1C(=O)[C@@](CC(C)=O)(NC(=O)C(C)C)c2ccccc21 9303321 MZBXSXIDEXSFTI-KRWDZBQOSA-N 302.374 2.000 0 40 DDAB O=C1CCC(C(=O)OCCCC(=O)c2ccc(F)cc2)=NN1 4348911 IYEHEXMRVBZIGR-UHFFFAOYSA-N 306.293 1.598 0 40 DDAB CCc1nc(C(=O)NCCOC)nn1-c1ccccc1Cl 65540666 IHVIYRPGHZHGKS-UHFFFAOYSA-N 308.769 1.859 0 40 DDAB O=S1(=O)C[C@@H]2NC(=S)N(Cc3ccccc3Cl)[C@H]2C1 9340961 NTWHWOHQROJBIP-QWRGUYRKSA-N 316.835 1.196 0 40 DDAB CCn1ncc(Cl)c1C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6490071 SLJRZDGBQULTEK-SECBINFHSA-N 310.663 1.639 0 40 DDAB COCCNC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1 4681477 BZKYUFJOIPGGTP-UHFFFAOYSA-N 314.769 1.366 0 40 DDAB O=c1c(Cl)c(N2CCOCC2)cnn1Cc1ccc(F)cc1 6662301 FRZMRYLIBHLRRO-UHFFFAOYSA-N 323.755 1.921 0 40 DDAB Cc1ccc(CN(C)C(=O)Cc2nc(-c3cccnc3)n[nH]2)o1 71753993 JXCYMZJTZFJXIG-UHFFFAOYSA-N 311.345 1.969 0 40 DDAB COc1ccccc1/C=C/C(=O)NC(=S)N1CCN(C)CC1 19860658 DQMPFCHRGTUQOX-BQYQJAHWSA-N 319.430 1.357 0 40 DDAB CNC(=O)NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 80625798 WDNWCXDBXRZZPI-JTQLQIEISA-N 306.284 1.665 0 40 DDAB CCN(C)c1ccccc1CNC(=O)C(=O)Nc1cccnc1 71883857 MVDLYCAGDMYUBA-UHFFFAOYSA-N 312.373 1.793 0 40 DDAB COC(=O)CN(CCO[C@H]1CCCC[C@@H]1C)Cc1cnn(C)c1 71899842 VCXPNUAICJLPLV-HOCLYGCPSA-N 323.437 1.990 0 40 DDAB CCOC(=O)N1CCN(Cn2c(=O)oc3ccccc32)CC1 16078486 JTLDIHGLHWCWCU-UHFFFAOYSA-N 305.334 1.326 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)Nc2nc(-c3cccnc3)cs2)C1 71852329 CEQNSTNYKIBSFB-SNVBAGLBSA-N 317.374 1.544 0 40 DDAB Cc1ccc2nc(CN[C@H](C)[C@@H](C)n3cccn3)cc(=O)n2c1 71882087 NFVWNPLUNXSRJM-ZIAGYGMSSA-N 311.389 1.939 0 40 DDAB C[C@H](NCc1cnn(C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 68722215 AJESMWUZWPFUCJ-LBPRGKRZSA-N 322.434 1.521 0 40 DDAB CCN(CC)C(=O)N1CCN(CCn2nc(C)cc2C)CC1 68806869 CLVCILSORBLYAU-UHFFFAOYSA-N 307.442 1.579 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)NC2CCCC2)n1 69538562 TWVALXLSWYQROG-MRXNPFEDSA-N 319.453 1.808 0 40 DDAB C[C@@H](O)CN1CCC(CN[C@@H](C(N)=O)c2ccc(F)cc2)CC1 69511869 LYEUXLHFGSUWFN-MLGOLLRUSA-N 323.412 1.035 0 40 DDAB Cc1ccc(C(=O)NCCc2nc3c(s2)CCCC3)c(=O)[nH]1 69533258 DMFKSFKSTWGGAY-UHFFFAOYSA-N 317.414 1.991 0 40 DDAB Cc1cccc2nc(CN3CCO[C@@H](Cn4cccn4)C3)cn12 69569676 QOVZTPRSIJMHJO-MRXNPFEDSA-N 311.389 1.740 0 40 DDAB Cc1ccccc1C(C)(C)CNC(=O)N[C@H]1CCS(=O)(=O)C1 69570559 FTUYSOMPIVVSPC-ZDUSSCGKSA-N 324.446 1.759 0 40 DDAB COc1cccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1OC 28356740 JLLACJNJKOQGDZ-SSUFTNFISA-N 316.357 1.906 0 40 DDAB CNC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 8640217 YHMDFUUDUDXRGX-UHFFFAOYSA-N 309.416 1.702 0 40 DDAB COC[C@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C 8750986 OBIYZWBNKYHGRD-AWEZNQCLSA-N 321.421 1.325 0 40 DDAB O=C(NCC1CC1)N1CCN(CCOc2ccccc2)CC1 25086219 UKJGRHCPYZBWHU-UHFFFAOYSA-N 303.406 1.803 0 40 DDAB COc1cc(Br)ccc1CN1CCC[C@H]1C(N)=O 97081522 QSSWVJLDMRAOAK-NSHDSACASA-N 313.195 1.907 0 40 DDAB Cc1ncsc1C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 97086389 WELDTFWBEHVSNP-GFCCVEGCSA-N 316.386 1.772 0 40 DDAB COC(=O)[C@]12CCC[C@@H]1CN(Cc1cc(C(N)=O)cs1)C2 97084969 XKMQWZDSQHPKGJ-ABAIWWIYSA-N 308.403 1.622 0 40 DDAB CC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2O 19323071 UMVCUAYNIMRRFI-UHFFFAOYSA-N 302.374 1.432 0 40 DDAB biogenic O=C(NCCOc1ccc(F)c(F)c1)NC[C@H]1CCOC1 72270181 YJJPEJPYZAVEQR-SNVBAGLBSA-N 300.305 1.679 0 40 DDAB COc1ccc(C(=O)N[C@H]2CCN(C)C2=O)cc1OC(F)F 72291575 ZTWDCHPEKYQOPC-VIFPVBQESA-N 314.288 1.257 0 40 DDAB Cc1ccccc1N1C(=O)C[C@H](N2CCCC[C@@H]2CCO)C1=O 22239211 DUICHBGQRWGBKF-ZBFHGGJFSA-N 316.401 1.864 0 40 DDAB Cc1cccc2nc(CN[C@H]3CCCC[C@@H]3C(N)=O)cc(=O)n12 97103554 NJAROQQUAYCIEZ-KBPBESRZSA-N 314.389 1.137 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)N1CCN2CCCC[C@H]2C1 89505815 PPVJQYOMPHGDNH-HNNXBMFYSA-N 319.453 1.459 0 40 DDAB O=C1[C@H](N(Cc2cccnc2)C[C@H]2CCCO2)CCN1C1CC1 89793973 DUDQCOXSBJDIMU-IAGOWNOFSA-N 315.417 1.826 0 40 DDAB CN(CCOCc1ccccc1)C(=O)c1ccc(=O)n(C)c1 89755059 DTPJDSVGMMCWCO-UHFFFAOYSA-N 300.358 1.674 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3nc(C)c4ccccc4n3)CCO2)n1 76048817 YSSZACNVJZRTSO-OAHLLOKOSA-N 324.388 1.938 0 40 DDAB O=C(Cc1cccs1)N1C[C@H]2O[C@@H](C1)C[C@@]21CCCNC1=O 306137314 QSLMDTGREHRILS-KFNAQCHYSA-N 320.414 1.187 0 40 DDAB CC(C)c1nc(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)no1 557293722 FCCYUYKVYDBEOP-GFCCVEGCSA-N 320.393 1.425 0 40 DDAB CN(CCO)c1ccc(F)cc1S(=O)(=O)C(F)(F)F 65625778 FMJPNHBBAUKBRW-UHFFFAOYSA-N 301.261 1.548 0 40 DDAB COc1cccc2c1N(Cc1cc(=O)n(C)c(=O)n1C)CCC2 32825433 VIHDCGNLKAECIP-UHFFFAOYSA-N 315.373 1.045 0 40 DDAB O=S(=O)(c1cccc(Br)c1)N1CCC(O)CC1 35119119 MHUGRXNQCHZPNI-UHFFFAOYSA-N 320.208 1.595 0 40 DDAB COCCCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524731011 GSMADEPWAKOLHT-DXCKQFNASA-N 318.373 1.249 0 40 DDAB biogenic CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1CCc2nncn2C1 556804587 FXOVYCGCENMPQV-NSHDSACASA-N 316.409 1.520 0 40 DDAB CC(C)N(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C 79409298 YGHMRROJVSZURX-ZDUSSCGKSA-N 313.442 1.829 0 40 DDAB C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccco1 72324989 ULTVOBZPBZOUTE-LBPRGKRZSA-N 315.373 1.924 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 72241852 OJPCSSLFMSBDNY-GDBMZVCRSA-N 320.364 1.594 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)C(=O)O 218555349 LNQLJRDDAPTSHC-NTZNESFSSA-N 317.794 1.270 0 40 DDAB CN1CCC[C@H]1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 71828223 MTIWUJIHOHUTSK-AWEZNQCLSA-N 314.389 1.989 0 40 DDAB C[C@@H](NS(=O)(=O)c1cnc(-c2ccccc2)s1)C(=O)O 1571115153 HIJZWKKOEKOXOW-MRVPVSSYSA-N 312.372 1.562 0 40 DDAB COCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 216298503 UBSHMTFQQVNWNQ-UHFFFAOYSA-N 306.771 1.088 0 40 DDAB C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1c1ccccc1 74030609 AWSLQWIXBYFGIZ-OCCSQVGLSA-N 324.384 1.841 0 40 DDAB CCN1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)[C@H](C)C1 567704117 RJFUOJKAPAXWOP-CQSZACIVSA-N 313.405 1.362 0 40 DDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)C1(CO)CO 218374196 KEVJQDACSWWOLC-RYUDHWBXSA-N 304.795 1.212 0 40 DDAB COc1ccc2[nH]cc(CC(=O)NCc3nnc(C)n3C)c2c1 79049357 OLSWPDPOUFSDLE-UHFFFAOYSA-N 313.361 1.472 0 40 DDAB CO[C@H]1CNC[C@@H]1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 195544813 ZYGQRNMXWSEWCO-GJZGRUSLSA-N 318.352 1.036 0 40 DDAB O=C(NCCn1cccn1)N1CC2(CCC2)[C@H]1C1CCOCC1 574913090 MOXBBAIQDCDEPV-OAHLLOKOSA-N 318.421 1.874 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 225788728 CEHHARBVLAPYBK-LOWDOPEQSA-N 323.732 1.941 0 40 DDAB CCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 144959399 WVWQAHOIHPRUTK-UHFFFAOYSA-N 316.448 1.555 0 40 DDAB Cn1cnc(S(=O)(=O)NC[C@](C)(O)CCc2ccccc2)c1 96025807 WDMHMAJEVJVJTA-OAHLLOKOSA-N 323.418 1.082 0 40 DDAB O=S(=O)(CC1CCOCC1)N1CCc2ccccc2CC1 96428063 DSYWMRRLKXBUES-UHFFFAOYSA-N 309.431 1.844 0 40 DDAB COC[C@@H]1COCCC12CCN(C(=O)C1CCOCC1)CC2 96206290 MRISFNNFVILPAK-OAHLLOKOSA-N 311.422 1.705 0 40 DDAB Cc1nc([C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3O2)no1 96070493 NCJDZCDOFZRXCG-FPMFFAJLSA-N 314.345 1.304 0 40 DDAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccncn1)C2 96039420 BBLBERXIMHMVAO-HOCLYGCPSA-N 305.378 1.524 0 40 DDAB CC(C)n1ccc(CCNc2nnc(Cl)cc2C(N)=O)n1 96446547 HNFZHVQLPIKYFV-UHFFFAOYSA-N 308.773 1.661 0 40 DDAB C[C@](O)(CNC(=O)CCCn1ccnc1)c1ccc(F)cc1F 96421720 OYEKTIOPPCDXDI-INIZCTEOSA-N 323.343 1.965 0 40 DDAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1COCCO1 96423027 YKAJNUSRCQLFRP-DOMZBBRYSA-N 324.808 1.840 0 40 DDAB O=C(O)CN1C(=O)C(c2ccc(F)cc2)=NC12CCOCC2 96516434 JRZWXLPQAIMQFP-UHFFFAOYSA-N 306.293 1.048 0 40 DDAB COCCN1CC[C@@]2(CCCN(c3ccc(C)nn3)C2)C1=O 96223999 FOEDLKXIUQTRDZ-MRXNPFEDSA-N 304.394 1.250 0 40 DDAB COCCC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 96422417 RHQCXWICRUKHFX-HNNXBMFYSA-N 305.422 1.350 0 40 DDAB Cn1cc(CNC(=O)c2cccc(Nc3cnccn3)c2)cn1 96414327 NFDUVEVYCHIYCL-UHFFFAOYSA-N 308.345 1.884 0 40 DDAB Cc1cc(C(=O)N2CCO[C@H]3[C@H](Cn4cccn4)CC[C@@H]32)[nH]n1 96250267 XGVSIODDRHQSNI-QEJZJMRPSA-N 315.377 1.234 0 40 DDAB Cc1nc(CN2CC[C@H](N3CCCC3)C[C@@H]2C(=O)O)cs1 96069011 LXGAOAYTNUULHK-UONOGXRCSA-N 309.435 1.965 0 40 DDAB CCNC(=O)N[C@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC 95405873 ZFMLJYGMGYCQFD-STQMWFEESA-N 312.801 1.253 0 40 DDAB CCOC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242728187 YXKGGIUSXMSLIH-UPJWGTAASA-N 303.811 1.584 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2c(C)nn(C)c2C)CCO1 257324567 WPHFCFWCGVQHHC-CQSZACIVSA-N 316.409 1.442 0 40 DDAB CN(C)Cc1cnc(CC2CCN(Cc3ncc[nH]3)CC2)cn1 257262694 LMLXLHJUUKBMQY-UHFFFAOYSA-N 314.437 1.716 0 40 DDAB Cn1cncc1CN1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 257341699 ZLLRWMSOXVUJMH-IRXDYDNUSA-N 301.390 1.824 0 40 DDAB O=C(CN(C[C@@H]1CCC=CO1)C[C@H]1CCCO1)N1CCCC1 252536231 HXHHPZKOUNUUJN-JKSUJKDBSA-N 308.422 1.783 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2scnc2C)O1 252510126 ZBWJCKZJDVXFDK-GMNPVEAJSA-N 324.402 1.775 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257301556 RYYRDXBQGCPSMM-AWEZNQCLSA-N 319.336 1.836 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2cnccn2)C1 257229668 FZBBHHYJYLYHIY-OAHLLOKOSA-N 315.377 1.349 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]1O 257336352 YOAXRUWDWVMBHS-RBSFLKMASA-N 307.365 1.902 0 40 DDAB CC(C)Oc1cccc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)n1 262837128 RSJSUDIFSXKQGY-BXUZGUMPSA-N 322.361 1.478 0 40 DDAB COc1ccc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)c(Cl)c1 575420012 DBFWUNHACZTHKI-QMMMGPOBSA-N 316.766 1.781 0 40 DDAB Cc1occc1C(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093088 BGDUVZPOWDETLD-CQSZACIVSA-N 312.316 1.918 0 40 DDAB Cc1ccccc1C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1O 585280083 YAOOSHGVGQYRGU-NVXWUHKLSA-N 313.401 1.713 0 40 DDAB Cn1ccnc1CN1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 69373935 XAWDFSSHRXVYLA-MRXNPFEDSA-N 318.396 1.410 0 40 DDAB NS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)cs1 53366702 DWSRODLFMPHMGU-UHFFFAOYSA-N 322.411 1.594 0 40 DDAB NC(=O)[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 54175548 FRJREHPOCXNKMC-VIFPVBQESA-N 301.159 1.895 0 40 DDAB CC(C)Cc1ncc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)s1 97166235 BBHUFBFANWRONO-ZYHUDNBSSA-N 318.464 1.938 0 40 DDAB O[C@@H](COCCOCCN1CCCCC1)CN1CCCCC1 5375521 RVSRIHKYGCDURP-QGZVFWFLSA-N 314.470 1.352 0 40 DDAB COCCCNC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O 5015927 CZYRNBVVKAHQBG-AWEZNQCLSA-N 305.378 1.579 0 40 DDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)c1 17971451 FJVQRFUUMWYCNY-KPWCQOOUSA-N 313.309 1.306 0 40 DDAB CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(=O)O 2560893 OBFWNISOMLCYSX-FYJFLYSWSA-N 308.334 1.025 0 40 DDAB Cc1nc2cc(C(=O)NC[C@H](C)N3CCOCC3)ccc2n1C 19656348 WBJFORDLBGACLD-LBPRGKRZSA-N 316.405 1.332 0 40 DDAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1 253407113 VPIWTHBLXVHOKM-PMPSAXMXSA-N 318.373 1.711 0 40 DDAB O=C1CCCCCN1CCCNc1nnnn1-c1ccccc1 7981812 PENLMSLOTHMJGP-UHFFFAOYSA-N 314.393 1.867 0 40 DDAB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc2c(c1)NC(=O)CO2 25570367 BMCWPKFITVHOEA-SECBINFHSA-N 324.344 1.867 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 1565554446 RIZMZQZFSGJZTC-QKDCVEJESA-N 309.454 1.336 0 40 DDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 1428872 MCRCTTSYWIYMIR-XJIUQZFPSA-N 317.316 1.281 0 40 DDAB CCCCN[C@@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)O 2107485 MJYKPNIONNVXDR-ZDUSSCGKSA-N 324.377 1.875 0 40 DDAB CC[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 5194634 UTNJJJLMKIYSDE-NWDGAFQWSA-N 309.341 1.001 0 40 DDAB Cc1nc(C)c(-c2nnc(NC(=O)c3ccc(=O)[nH]n3)o2)s1 49449410 DJOOTTYBUSITSZ-UHFFFAOYSA-N 318.318 1.146 0 40 DDAB COc1ccc(F)cc1S(=O)(=O)N1Cc2cccnc2C1 585393188 GUGQLTVPFPBSFT-UHFFFAOYSA-N 308.334 1.934 0 40 DDAB CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccoc2)cc1 75171842 PWMBKEYIPWEACW-CQSZACIVSA-N 309.343 1.494 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)Cn2nc3ccccn3c2=O)o1 40087834 NEHJUIKFIXPRPI-LLVKDONJSA-N 300.318 1.275 0 40 DDAB C[C@@H]1CCCN(CN2C(=O)C3(OCCO3)c3ccccc32)C1 87914 UUSOLYVYBNXHPM-CYBMUJFWSA-N 302.374 1.922 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2=NCCS2)C1 40473693 CZBKKQAPEGKRLX-SNVBAGLBSA-N 313.423 1.853 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)s1 31719070 ZJVWBHGBENNJGX-UHFFFAOYSA-N 316.386 1.640 0 40 DDAB NC(=O)c1ccsc1NC(=O)CN(C[C@H]1CCOC1)C1CC1 40539374 IMVRUBDKJGLCJD-SNVBAGLBSA-N 323.418 1.286 0 40 DDAB Cc1cc2ncn(C[C@@H](O)CN3CCC(O)CC3)c2cc1C 51590639 SZHBMAKNBHJBJI-HNNXBMFYSA-N 303.406 1.471 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 102232935 BZKKUONTSPCGHK-HLFFCZDVSA-N 320.370 1.699 0 40 DDAB COc1ccnc(N[C@@H](CN2CCOCC2)c2ccccc2)n1 52722313 COJKMYUUNBDBGC-HNNXBMFYSA-N 314.389 1.971 0 40 DDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCC(N)=O)C1=O 52816257 DRYDQBKPIMAOQI-HNNXBMFYSA-N 301.302 1.075 0 40 DDAB CCS(=O)(=O)N1CCC(NC(=O)c2sccc2C)CC1 22880773 GBGKFECLUCMUQA-UHFFFAOYSA-N 316.448 1.600 0 40 DDAB CCCOc1ccc(OCC(=O)N[C@H]2CCCCNC2=O)cc1 42476643 ZTMHRYRJCIVKLZ-HNNXBMFYSA-N 320.389 1.639 0 40 DDAB Cc1nn(CN2CCC(CC(N)=O)CC2)c(=O)c2ccccc12 54543668 HQFGAJQQLNFFRB-UHFFFAOYSA-N 314.389 1.250 0 40 DDAB O=C([C@@H]1COCCO1)N1C[C@H]2CCCN2Cc2ccccc21 78615876 CEHUERKVLBBAFI-ZBFHGGJFSA-N 302.374 1.413 0 40 DDAB COc1cccc(NC(=O)NCC2CCN(CCO)CC2)c1 78806252 DNIICHLSZBZFNV-UHFFFAOYSA-N 307.394 1.521 0 40 DDAB C[C@@H](CO)SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 79089789 QTKLLYNACYDAAW-ZETCQYMHSA-N 314.432 1.388 0 40 DDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 1575980 RSSOZTMMMIWOJB-DGCLKSJQSA-N 320.345 1.377 0 40 DDAB O=C(CCn1cnc2sccc2c1=O)NC[C@@H]1CCCOC1 55924053 BKQYYTVLYPMIII-NSHDSACASA-N 321.402 1.391 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3c(Cl)cccc32)C1 56902418 RPQLVDMDDRQRHS-RNCFNFMXSA-N 307.781 1.844 0 40 DDAB CC(=O)N1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1 7387767 DBJJNYYPSXUTNQ-UHFFFAOYSA-N 315.295 1.856 0 40 DDAB C[C@@H]1CN(S(=O)(=O)CCN[C@H](C)c2ccco2)C[C@@H](C)O1 108113476 UOSHNPVXSZAFKZ-JHJVBQTASA-N 316.423 1.369 0 40 DDAB CN1CC[C@@H](CNC(=O)Nc2ccccc2O[C@H]2CCOC2)C1 108479929 CBDNRYQIAJAAHD-KBPBESRZSA-N 319.405 1.928 0 40 DDAB COC(=O)c1ccc2nc(NC(=S)NN(C)C)sc2c1 8203624 FLFKUEIPQRMVKI-UHFFFAOYSA-N 310.404 1.846 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)c2cccc(C)n2)c1 27307218 RJGUFMCVUTWKIC-UHFFFAOYSA-N 319.386 1.228 0 40 DDAB COc1ncccc1C(=O)N1CCN(Cc2ccco2)CC1 44907658 IWJSZAUIYKVYGJ-UHFFFAOYSA-N 301.346 1.641 0 40 DDAB COC[C@@H](C)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 44907861 WLZFKXSTYCSHKV-SNVBAGLBSA-N 312.801 1.498 0 40 DDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1ccccc1F 44908692 RURODCWDTDRSFR-SNVBAGLBSA-N 317.386 1.125 0 40 DDAB C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)[C@@H]1CCCO1 27868804 PRUPOVWLBYSUKP-PWSUYJOCSA-N 323.418 1.496 0 40 DDAB CCCNC(=O)[C@@H](C)N1CCC(NC(=O)c2occc2C)CC1 58310980 UCKMBPPBJRNOTA-CYBMUJFWSA-N 321.421 1.697 0 40 DDAB Cc1ccnc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n1 27974496 AWLWQGMBFPOHOK-JTQLQIEISA-N 301.302 1.920 0 40 DDAB COC(=O)C[C@@H](O)CSc1nnc(C)n1-c1ccccc1C 109714849 NMABFMDHHAMMQB-GFCCVEGCSA-N 321.402 1.900 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 2550764 KTMGPIGNLAPLER-CYBMUJFWSA-N 323.345 1.800 0 40 DDAB in-vitro NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 2646552 QABPRXFXWKSAGS-UHFFFAOYSA-N 324.764 1.221 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 108527349 YMBDOVGFBXVHKG-UHFFFAOYSA-N 300.424 1.061 0 40 DDAB COCCN1C[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)CC1=O 46914347 JPVDGFONOILYPV-ZIAGYGMSSA-N 322.430 1.907 0 40 DDAB NC(=O)CN(CC(=O)NCc1ccccc1Cl)C1CCCC1 47274382 YWOQOKSZOHLHSI-UHFFFAOYSA-N 323.824 1.686 0 40 DDAB O=C(O)CCCNC(=O)COc1ccc(Br)cc1 37409949 UCFUWIWOFIWONO-UHFFFAOYSA-N 316.151 1.809 0 40 DDAB CC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 48250047 NUJOPYNTANJLHM-UHFFFAOYSA-N 324.446 1.901 0 40 DDAB CCCNC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3343972 CMCSAWCQPNKIEF-UHFFFAOYSA-N 305.407 1.586 0 40 DDAB CC(C)c1nn(C)cc1[C@@H]1NC(N)=Nc2nc3ccccc3n21 48367242 NUWZHZHZKZIVHB-CQSZACIVSA-N 309.377 1.990 0 40 DDAB COC(=O)CNc1cc2c(cc1Br)OCCO2 48310113 PVKMWVYXYGRDKW-UHFFFAOYSA-N 302.124 1.805 0 40 DDAB CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 3505760 UAXPTMLUELMPSX-UHFFFAOYSA-N 307.394 1.642 0 40 DDAB CCn1cnnc1CNS(=O)(=O)c1ccccc1Cl 48667420 KZVRMUVUJUJJBG-UHFFFAOYSA-N 300.771 1.430 0 40 DDAB C[C@@H]([C@@H](C)N(C)C(=O)c1ccc2c(c1)N(C)CC2)S(C)(=O)=O 96011220 KGHAMWDYYACRGG-NEPJUHHUSA-N 324.446 1.573 0 40 DDAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NC1CCCC1 49066395 ACCXRAOJNRMSJL-UHFFFAOYSA-N 300.355 1.870 0 40 DDAB CCN(CC)C(=O)CNC(=O)c1nc(Cl)ccc1Cl 49142673 OVCMPLLPGVZIHG-UHFFFAOYSA-N 304.177 1.987 0 40 DDAB COc1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)nn1 95970544 DYEISTUQYGICIL-LBPRGKRZSA-N 315.329 1.159 0 40 DDAB COc1cc(C(=O)O)ccc1OCC(=O)NCc1ccco1 13419500 NVVRDJQDGGFBNP-UHFFFAOYSA-N 305.286 1.682 0 40 DDAB CCOc1ncccc1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC 65607814 FLFANINFIYFEGV-QWRGUYRKSA-N 308.382 1.905 0 40 DDAB Cn1cc(C(=O)OCC(=O)N2CCc3sccc3C2)cn1 14308901 SUSMNXRCCIZMFW-UHFFFAOYSA-N 305.359 1.223 0 40 DDAB COc1ccccc1-c1noc(COC(=O)c2cnccn2)n1 7120469 SDAJRYSEPLDZOJ-UHFFFAOYSA-N 312.285 1.892 0 40 DDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC1CC1 7346962 YZDCGJKBJZTJPE-UHFFFAOYSA-N 318.402 1.185 0 40 DDAB Cc1cc(Br)cnc1NC[C@H]1CN(C)CCO1 94051085 UXPCTOJNGCSHRR-NSHDSACASA-N 300.200 1.895 0 40 DDAB COc1ccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1 96412731 XKGXGVWQRLFANB-CQSZACIVSA-N 318.417 1.926 0 40 DDAB CCCS(=O)(=O)Nc1cc(S(=O)(=O)CC)ccc1O 7716228 GOBYFKIELVFPDW-UHFFFAOYSA-N 307.393 1.338 0 40 DDAB CCCn1nnnc1COC(=O)Cc1noc2ccccc12 7865651 UQMVAKLFROVKTP-UHFFFAOYSA-N 301.306 1.510 0 40 DDAB CC(=O)N(CCC(=O)N1CCOC[C@H]1C)Cc1ccccc1 71854059 WVIQPUHNBWPZLJ-CQSZACIVSA-N 304.390 1.673 0 40 DDAB 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O=C(NCc1ccco1)[C@@H]1CN(C(=O)C2CC2)C[C@H]2OCC[C@H]21 2055772319 WABBLUHWENOPNN-RRFJBIMHSA-N 318.373 1.169 0 40 DDAB CC[C@@H]1CN(C(=O)CN2C(=O)CCOc3ccccc32)CCO1 30854133 QCEFSNMEAXNBBQ-CYBMUJFWSA-N 318.373 1.440 0 40 DDAB Nc1nc(Cn2nnn(-c3ccccc3)c2=O)nc2ccccc12 31765278 DWVIXNYQCOZRSU-UHFFFAOYSA-N 319.328 1.003 0 40 DDAB NC(=O)N[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1F 40513847 HEMPTDGVGRQFRM-GXFFZTMASA-N 309.341 1.220 0 40 DDAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCCCC1 101411374 YKMOPHOOFIYPOF-UHFFFAOYSA-N 308.378 1.164 0 40 DDAB COc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c(C(N)=O)c1 51970646 LUQSJDYXQUILSY-FZMZJTMJSA-N 320.389 1.868 0 40 DDAB Cc1ocnc1C(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 102431615 QNNUOMYVONYTHN-JTQLQIEISA-N 319.365 1.180 0 40 DDAB CCN(CC(=O)NC)C(=O)c1nc(-c2ccccc2)oc1C 52878302 ATUQXJVONHZBNZ-UHFFFAOYSA-N 301.346 1.858 0 40 DDAB C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(-n2cncn2)cc1 22764070 RPMLVICZRPQISO-SNVBAGLBSA-N 310.317 1.254 0 40 DDAB O=C(COC(=O)c1ccccn1)Nc1ccc2c(c1)OCO2 807449 JPNYMHDSRYKCFN-UHFFFAOYSA-N 300.270 1.606 0 40 DDAB O=C(CCN1C(=O)CCC1=O)OC[C@H]1CCCN2CCCC[C@@H]12 35433 VGRHPOFGZZATBT-KGLIPLIRSA-N 322.405 1.333 0 40 DDAB biogenic,in-vitro CC(C)C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 1570242 FVNPLMZSNACTDL-DZGCQCFKSA-N 316.405 1.054 0 40 DDAB NC1(C(=O)O)C[C@](O)(c2ccccc2)[C@](O)(c2ccccc2)C1 1686525 JLEWWTDDLVAJRD-AYHJJNSGSA-N 313.353 1.338 0 40 DDAB CSCC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 79018512 XMVFMACOXKPVGR-LBPRGKRZSA-N 320.336 1.885 0 40 DDAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN(CCO)CCO 2694471 BWBYPUBKWIJSCS-GJZGRUSLSA-N 311.422 1.226 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccccc3)C[C@]23C=C[C@H]1O3 3905459 KNDMWRNUGYJRIY-RSLZBJJISA-N 313.353 1.703 0 40 DDAB COc1ccc(OCCNC(=O)c2ccc3[nH]nnc3c2)cc1 12556882 ZKLNZLMVRPQWIZ-UHFFFAOYSA-N 312.329 1.775 0 40 DDAB COc1cc(C(=O)N[C@H]2CCCC[C@H]2O)cc(OC)c1OC 6735705 PTWPUMBBFLERBW-NWDGAFQWSA-N 309.362 1.746 0 40 DDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)C(C)C 7641192 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O=C(NCc1ccnc(-n2cccn2)c1)c1cc(C2CC2)[nH]n1 46864233 BUGHACJDHRLPAV-UHFFFAOYSA-N 308.345 1.798 0 40 DDAB CCOc1ccc(S(=O)(=O)NCCC[n+]2cc[nH]c2)cc1C 101370786 MYXKHZCTXBKEDO-UHFFFAOYSA-O 324.426 1.378 0 40 DDAB O=C(NCCCn1cccn1)N[C@H]1CCN(c2ccccn2)C1 95435245 HJEWJYQKXMOUOD-AWEZNQCLSA-N 314.393 1.246 0 40 DDAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccc(F)c(F)c1 12764188 CWMSLXSHTMHMNC-UHFFFAOYSA-N 316.267 1.708 0 40 DDAB CC(C)[C@H](NC(=O)Nc1ccccc1N1CCCC1)C(N)=O 95467029 QSONDFKAAINSCN-AWEZNQCLSA-N 304.394 1.918 0 40 DDAB C[C@H]1C[C@@H]1C(=O)NCC(=O)NCCOc1cccc(Cl)c1 48343547 OQMYMFHDJTWXPN-GWCFXTLKSA-N 310.781 1.607 0 40 DDAB O=S(=O)(Cc1cccc(F)c1)N[C@H](CO)Cc1ccccc1 95432916 SEWKKUJRJXCTLJ-INIZCTEOSA-N 323.389 1.849 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(O)nc2)cc1 13427181 BYGYYWWTYMQTPN-ZDUSSCGKSA-N 316.313 1.742 0 40 DDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccsc2)NC(=S)N1 21186641 QJDCWBNOIPNBBI-LBPRGKRZSA-N 323.443 1.400 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N1C[C@H](C)O[C@H](C)C1 14093254 DNXQXAVQIRYBQW-TXEJJXNPSA-N 300.362 1.825 0 40 DDAB CCN1CCN(CCCNC(=O)c2cc(Cl)ccn2)CC1 65624696 DVIZJOGIKOXAGB-UHFFFAOYSA-N 310.829 1.492 0 40 DDAB CC(C)[C@@H](Sc1nnnn1C)C(=O)NCc1ccccc1 9384808 IJXLSRALLPWFEX-GFCCVEGCSA-N 305.407 1.643 0 40 DDAB O=C(c1cc(C2CC2)[nH]n1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 6413837 JYVSXFUIBJJICF-GFCCVEGCSA-N 320.246 1.708 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)cc1 9332793 KFLVEASHPRXSDI-NSHDSACASA-N 301.306 1.117 0 40 DDAB Cn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 6679458 PFYXWVKWDFLTON-UHFFFAOYSA-N 321.402 1.211 0 40 DDAB CCOC(=O)N1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9419633 IHDCSXMVWYYZBY-UHFFFAOYSA-N 310.745 1.285 0 40 DDAB CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 66843316 QWEWBTYENBEPBV-ZDUSSCGKSA-N 314.451 1.615 0 40 DDAB O=C(c1ccsc1)N1CCCN(C(=O)[C@H]2CCOC2)CC1 66921007 JIOXATFACSEXKN-LBPRGKRZSA-N 308.403 1.459 0 40 DDAB COc1ccccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 5885301 XYHYOENLWQDKLF-UHFFFAOYSA-N 306.343 1.595 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]2CCC[C@H]21 96437695 DBBOQMAWRNVZES-YNEHKIRRSA-N 300.424 1.395 0 40 DDAB O=C1NC(=O)/C(=C\c2ccccc2I)N1 408551628 OTFIFKGXLQMNPS-VMPITWQZSA-N 314.082 1.472 0 40 DDAB COC[C@H]1CN(C(=O)N[C@H]2CCc3ccc(F)cc32)CCO1 96439985 RUBUEAZVUCCACI-HIFRSBDPSA-N 308.353 1.870 0 40 DDAB Cc1cc(N2CC[C@H](N[C@@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1 90170880 YWLRFEYIRQGXSG-QWHCGFSZSA-N 320.437 1.770 0 40 DDAB CCC(=O)N(c1nnc(SCCNC(C)=O)s1)C1CC1 9515114 BGACGZNDPHPJTK-UHFFFAOYSA-N 314.436 1.672 0 40 DDAB C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)O)C[C@@H](C)O1 15996639 ZJOGADBZWGFYOX-MBNYWOFBSA-N 306.362 1.501 0 40 DDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)Cn1ccccc1=O 68294357 FRANNTPMRJVPGV-CQSZACIVSA-N 311.385 1.416 0 40 DDAB O=C(NCc1ccc(O)c(F)c1)N1CC[C@](O)(C(F)(F)F)C1 81497746 FXFMWJBVIKONSQ-GFCCVEGCSA-N 322.258 1.740 0 40 DDAB CCNC(=O)N1CCN(C(=O)c2ccnc3ccccc23)CC1 73068027 SSUGLSYOWIFPEC-UHFFFAOYSA-N 312.373 1.722 0 40 DDAB CCCN(CCC)S(=O)(=O)N1CCC2(CC1)OCCO2 84755184 YFBMEHWQKAIVJH-UHFFFAOYSA-N 306.428 1.192 0 40 DDAB CC1CCC(NS(=O)(=O)CC(=O)NCC(F)(F)F)CC1 69451996 ZEMJRMWSUXLDIF-UHFFFAOYSA-N 316.345 1.163 0 40 DDAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)[C@@H]1COCCO1 69435471 BBENYUSKLVTYOV-NSHDSACASA-N 309.272 1.709 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(N(C)C)c2)C1=O 8427910 URFYNWOUJHOLAE-OAHLLOKOSA-N 304.350 1.118 0 40 DDAB CC(=O)NCc1ccc(C(=O)Oc2c(C)nn(C)c2C)cc1 84012290 MXCPYDSRYWSIMJ-UHFFFAOYSA-N 301.346 1.892 0 40 DDAB COc1ccc2c(c1)CCCN(CC(=O)NC[C@@H]1CCCO1)C2 69617966 XLQYUYQSDCHQEA-KRWDZBQOSA-N 318.417 1.739 0 40 DDAB CCCCc1nc(CN2CCC[C@@H](Cn3cncn3)C2)no1 69658086 AYQUKDWBSMTPJZ-CYBMUJFWSA-N 304.398 1.916 0 40 DDAB Cc1cc(S(C)(=O)=O)ccc1NCC(=O)NCC1CCC1 97046774 YUGSNNDKJHRORB-UHFFFAOYSA-N 310.419 1.727 0 40 DDAB Cn1nnc2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)ccc21 69971033 YGIOSSKJUMIVDT-AWEZNQCLSA-N 324.388 1.860 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 69923085 OLBRFOGJQOVFDI-NEPJUHHUSA-N 321.446 1.936 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2 69927756 FVWJBIUUDQSIMW-OAHLLOKOSA-N 308.389 1.877 0 40 DDAB CN(C(=O)c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 74954986 GLHPCCFLABJRAC-VIFPVBQESA-N 305.758 1.738 0 40 DDAB CCO[C@@H]1C[C@@H](NC(=O)CCn2cncn2)C12CCCCC2 75092904 KIHHLZUKGQSJAY-ZIAGYGMSSA-N 306.410 1.912 0 40 DDAB CC[C@@H]1CN(Cc2nnsc2Cl)CCN1C[C@@H](C)O 75129430 OXTNGJGAXVHSEI-NXEZZACHSA-N 304.847 1.469 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCCCn2ccnc2)c(=O)[nH]1 75121252 OSPRHCVRBVVYTC-UHFFFAOYSA-N 317.393 1.468 0 40 DDAB O=C(NCCc1ccc2c(c1)CCO2)N1CCOC[C@H]1C1CC1 89898588 HSGDFXOBNSTJSE-INIZCTEOSA-N 316.401 1.984 0 40 DDAB CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1ccncc1 89960180 JZXMQFHDGAUVEI-OAHLLOKOSA-N 318.421 1.203 0 40 DDAB C[C@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1N1CCOCC1 76053430 DSNPBDBNRWQVIW-RDJZCZTQSA-N 314.429 1.897 0 40 DDAB CCOc1cc(N2CCC[C@H]([C@H](O)c3nccn3C)C2)ncn1 127695113 QNZHJRGRVGNIGT-WFASDCNBSA-N 317.393 1.559 0 40 DDAB C[C@H](NC(=O)Nc1cn(C)nn1)[C@@H]1OCCc2sccc21 521394740 GNTHUQGISQVEKX-UFBFGSQYSA-N 307.379 1.701 0 40 DDAB Cc1nc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cs1 42125255 UATCIZFUBIGTGC-UHFFFAOYSA-N 310.400 1.785 0 40 DDAB COc1ccc2cc(C(=O)N=c3ccn(CC(=O)O)[nH]3)[nH]c2c1 531746763 MANWHNHZWPXQTH-UHFFFAOYSA-N 314.301 1.132 0 40 DDAB Cn1nc(CN2C(=O)[C@H]3C=CC=C[C@@H]3C2=O)cc1C(F)(F)F 72336341 IVBCQMMVAYPOLR-UWVGGRQHSA-N 311.263 1.666 0 40 DDAB CC(=O)c1cn(CC(=O)N2CCC[C@H]2C(N)=O)c2ccccc12 32090273 OQCLRRVUCTUVKT-HNNXBMFYSA-N 313.357 1.320 0 40 DDAB Cc1nc(N)cc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1 72387827 FZHKLJMAPYEENG-JTQLQIEISA-N 305.363 1.037 0 40 DDAB NCC(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 72360871 UGZYKFDXFSPFRG-LBPRGKRZSA-N 312.377 1.280 0 40 DDAB CCOC(=O)CCn1ncc(I)c1C 72339399 PXYPWUHNFSESLZ-UHFFFAOYSA-N 308.119 1.749 0 40 DDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30857822 NTMTXKYYRSVUML-OAHLLOKOSA-N 324.446 1.407 0 40 DDAB COc1cccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c1 77261938 GVBMGUZDEPATPP-BRSBDYLESA-N 314.385 1.458 0 40 DDAB biogenic,in-vitro Cc1ccc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)o1 40776419 QTUSESGQVNTPOK-INIZCTEOSA-N 300.314 1.994 0 40 DDAB CC(C)[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)C(N)=O 135544722 CQFZAFVMVRQCCK-TZMCWYRMSA-N 323.368 1.849 0 40 DDAB O=C(O)[C@H](NS(=O)(=O)c1ccsc1)c1cccc(F)c1 574345317 IMQJLKLBYCUKPS-LLVKDONJSA-N 315.347 1.991 0 40 DDAB O=C(O)c1cc(=O)n(-c2cccc(Cl)c2Cl)c(=O)[nH]1 222649796 DMONBZFPVTYXJC-UHFFFAOYSA-N 301.085 1.531 0 40 DDAB Cn1cccc(C(=O)NCC[C@H](O)c2cccc(Cl)c2)c1=O 225607952 DZTVPUWWLQVVDN-AWEZNQCLSA-N 320.776 1.892 0 40 DDAB COc1cccc2c1CC[C@]2(N)C(=O)NCCC1CC(OC)C1 1579292167 ZJTQCPZHFHVZPT-PWGQDJSOSA-N 318.417 1.727 0 40 DDAB COc1ncccc1NC(=O)C(=O)NCc1cccc(Cl)c1 44890310 PTKCYQKAKBRODS-UHFFFAOYSA-N 319.748 1.999 0 40 DDAB C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)Cc1cccc(F)c1 195566133 CUTMREDOLHKNNQ-HEHGZKQESA-N 324.396 1.938 0 40 DDAB COC1(C(F)(F)F)CCN(c2cc3nncn3c(C)n2)CC1 333898766 IKWOCSDTUZUHPG-UHFFFAOYSA-N 315.299 1.980 0 40 DDAB O=S(=O)(C1CC1)N1C[C@@H]2CC[C@H](C1)N2Cc1cccc(F)c1 96252587 NAOPJVXHNZNQAO-GASCZTMLSA-N 324.421 1.967 0 40 DDAB Cn1cc(CN2CCc3onc(C(=O)N4CCCC4)c3C2)cn1 96254339 NQCDHJMFAUHGME-UHFFFAOYSA-N 315.377 1.202 0 40 DDAB CC(C)OCc1ncn2c1CN(S(=O)(=O)C1CC1)CCC2 96059057 VFAWZCNBPPYDJE-UHFFFAOYSA-N 313.423 1.506 0 40 DDAB Cc1nc(CN2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)cs1 96043234 ZSIIQTQAZKQHTB-GLQYFDAESA-N 321.446 1.710 0 40 DDAB O=C(N[C@@H](c1ccccc1)C(F)F)N1C[C@H]2COC[C@@H](C1)O2 333620560 GFPAQVGDANFJJP-XQQFMLRXSA-N 312.316 1.802 0 40 DDAB CCc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)nc1 96183292 DGHHJNFHZFWHQA-JKSUJKDBSA-N 302.422 1.729 0 40 DDAB NC(=O)[C@@H]1CCCN1Cc1nc2ncc(Br)cc2[nH]1 96412958 VQSWUFFAKKABCI-VIFPVBQESA-N 324.182 1.170 0 40 DDAB Cc1nnc(N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)s1 96041125 FSXFSRHVCJRLEY-RWMBFGLXSA-N 322.434 1.214 0 40 DDAB O=C(CC1CC1)N1CCC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96222673 PLSYDIGYIGOOEQ-RHSMWYFYSA-N 317.389 1.806 0 40 DDAB O=C(O)CCC(=O)NC[C@H]1COCc2nc3ccccc3n21 96112445 VLHPOLJWJCIWCA-JTQLQIEISA-N 303.318 1.089 0 40 DDAB biogenic,in-vitro C[C@H](CNC(=O)c1ccc(F)c(Cl)c1F)c1nnn[nH]1 97102555 BYCVKJVFJRXKQI-RXMQYKEDSA-N 301.684 1.665 0 40 DDAB c1ccc(-n2nnnc2Cn2nccc2-c2ccncc2)cc1 96447930 XXEIIOVOKPGVKT-UHFFFAOYSA-N 303.329 1.969 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 248304421 MEVVEZMOJSNPHX-AWEZNQCLSA-N 319.405 1.538 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(C(=O)CN)C2CC2)CC1 242463386 CZRKRXDDCSBOEL-HAQNSBGRSA-N 311.426 1.772 0 40 DDAB COc1cc(N2Cc3ccnn3C[C@@H](OCC3CC3)C2)ncn1 247873569 FYRGXWPSUUVERG-AWEZNQCLSA-N 315.377 1.497 0 40 DDAB COc1ccc2[nH]c(CN3CC[C@H]4OCC(=O)N[C@H]4C3)cc2c1 257338074 YVSJTBGYWKWNCP-JKSUJKDBSA-N 315.373 1.266 0 40 DDAB COc1ccc(F)cc1C(=O)N1CCOC[C@@H]1c1ccn[nH]1 257289289 PXYCXMBAVXWILL-CYBMUJFWSA-N 305.309 1.771 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257286029 PJXBQOCODVUNHR-IIAWOOMASA-N 316.357 1.688 0 40 DDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cscn2)c1 257238338 HKNAKLGRHDGOMM-HNNXBMFYSA-N 316.430 1.649 0 40 DDAB CN1[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]3CC[C@H]1[C@](C)(C2)[C@@H]3O 257206909 BFLFKRLWHZXEKL-FDPKGLCPSA-N 315.417 1.387 0 40 DDAB Cn1cc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 257283732 OZRCFZZQKLDRKD-HOTGVXAUSA-N 312.373 1.036 0 40 DDAB O=C(NCC[C@@H](O)c1ccsc1)C(=O)NCc1ccco1 253407219 VTGHHRRVJZKSRH-GFCCVEGCSA-N 308.359 1.197 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2c(C)cccc2C)[C@H]1O 257272896 NEGRFNYFDGCFQO-IIAWOOMASA-N 307.390 1.679 0 40 DDAB O=C(c1cc(F)cc(F)c1)N1CCO[C@@H](c2cnccn2)C1 257308088 TVIYEOVUTDBHEP-CQSZACIVSA-N 305.284 1.969 0 40 DDAB Cc1cc(F)cc(S(=O)(=O)NC2(c3nnc[nH]3)CCC2)c1 285697016 RJVJVLAGHQHAFN-UHFFFAOYSA-N 310.354 1.610 0 40 DDAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCCS(C)(=O)=O 72268658 OOSXFZYECWROTQ-UONOGXRCSA-N 316.467 1.287 0 40 DDAB CN(C)CCN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 72309987 MHIYCEVAOPQFSN-OAHLLOKOSA-N 319.405 1.438 0 40 DDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3ccccc3)[C@H]3CO[C@@H]2O3)c1 952845034 ZKVMHYLCKAARRL-OVYGPGRDSA-N 315.373 1.007 0 40 DDAB biogenic,in-vitro CCOc1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 44456821 GESBAQQREZRZTQ-LLVKDONJSA-N 312.391 1.642 0 40 DDAB Cc1cc(C)cc(OCCC(=O)NCc2nnc3n2CCC3)c1 44776185 SPOFOKUQVUTBQQ-UHFFFAOYSA-N 314.389 1.926 0 40 DDAB c1cc(N2CCCCC2)ccc1-c1noc(Cn2cnnn2)n1 73144609 HFTYNYAFAKCKEI-UHFFFAOYSA-N 311.349 1.762 0 40 DDAB CN1N=C(C(=O)Nc2cccnc2N2CCCC2)CCC1=O 40536360 SKVIFBXXHICOEF-UHFFFAOYSA-N 301.350 1.229 0 40 DDAB Cn1nc(C2CCN(Cc3cccnc3)CC2)n(C2CC2)c1=O 77154112 JHQSTAVPOISPSR-UHFFFAOYSA-N 313.405 1.691 0 40 DDAB Cc1cc(C(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)no1 85436778 XMEQDLIOOKKIGD-CYBMUJFWSA-N 305.334 1.067 0 40 DDAB O=C1CCCN1c1ccc(NS(=O)(=O)N2CCCCC2)cc1 12374603 KZNWUJLUNURFOE-UHFFFAOYSA-N 323.418 1.956 0 40 DDAB Cn1c(=O)n(CC(=O)NCc2ccccc2F)c2cccnc21 13265426 XWAGNVWKAFXHFN-UHFFFAOYSA-N 314.320 1.191 0 40 DDAB COc1cccc2cc(C(=O)N[C@H]3C=CS(=O)(=O)C3)oc12 13689762 GWGIKGUOCNXFKG-JTQLQIEISA-N 307.327 1.482 0 40 DDAB CCN1[C@H](Cc2cccn2C)[C@@H](O)c2ccccc2S1(=O)=O 13722853 KRHBKZJPBPVJEU-ZBFHGGJFSA-N 320.414 1.694 0 40 DDAB O=C(Cn1ncn(-n2cccc2)c1=S)Nc1nccs1 16806981 RLQJOPNWNIVORO-UHFFFAOYSA-N 306.376 1.622 0 40 DDAB C[C@@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)O 16844476 ZAVWERBUOPYECF-MRVPVSSYSA-N 306.343 1.632 0 40 DDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)n1 225403543 XYKRSLCOLQMSEZ-ZIAGYGMSSA-N 316.405 1.879 0 40 DDAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)C1CC=CC1 585149329 KDIMBEBUAZNIJX-JTQLQIEISA-N 314.311 1.985 0 40 DDAB C[C@H]1CCCN(C(=O)COC(=O)c2[nH]nc3ccccc23)C1 25499280 NHYHSGRRDLTSJM-NSHDSACASA-N 301.346 1.978 0 40 DDAB CCn1cc(Br)c(C(=O)NCc2cnn(C)c2)n1 28234777 QBFZXPVKVVJLRV-UHFFFAOYSA-N 312.171 1.329 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)c1cc[nH]c1)C2 1565552812 XSKGWOZJYDENKK-CYBMUJFWSA-N 315.377 1.309 0 40 DDAB CC(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055715944 NHQPHOYHXYSRIX-LBPRGKRZSA-N 306.410 1.356 0 40 DDAB Cc1nc2ccccc2n1C1CN(c2ccc3nncn3n2)C1 1775974596 XAVSPFPZCYIKCZ-UHFFFAOYSA-N 305.345 1.844 0 40 DDAB Fc1cccnc1N1C[C@H]2CN(c3ncncc3F)C[C@H]2C1 2086854460 FERXVDAEIVEPAZ-PHIMTYICSA-N 303.316 1.722 0 40 DDAB Cn1cc(C(=O)NC[C@H](c2ccsc2)n2cccn2)nn1 575613510 IFSPXXJYWGBHEZ-GFCCVEGCSA-N 302.363 1.093 0 40 DDAB O=C(NCCC1=CCCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 6664579 JHPFYMIPSKNFGQ-UHFFFAOYSA-N 313.357 1.837 0 40 DDAB CCc1nnsc1C(=O)Nc1ccc(OCCOC)nc1 40086950 DUSWCCMOSXMIAJ-UHFFFAOYSA-N 308.363 1.773 0 40 DDAB C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 40086873 FQHHGLNOANUZNR-QWRGUYRKSA-N 314.407 1.838 0 40 DDAB CC[C@@H]1CN(C(=O)c2cc(OC)c3c(c2)OCCO3)CCO1 30854958 KKOPXMURAYGJFT-GFCCVEGCSA-N 307.346 1.717 0 40 DDAB CN(CC(=O)c1cccn1C)S(=O)(=O)c1ccc(F)cc1 40457372 LGRLRMOSXIABOJ-UHFFFAOYSA-N 310.350 1.668 0 40 DDAB CCc1ccc(NC(=O)CSc2nc(=O)[nH]nc2C)cc1 31773525 PFMLFVMCVCNWLU-UHFFFAOYSA-N 304.375 1.767 0 40 DDAB Cc1cc2ncn(C[C@H](O)CN3CCO[C@H](C)C3)c2cc1C 51179891 WEGIZTOWBODOHK-HUUCEWRRSA-N 303.406 1.735 0 40 DDAB Cc1ccc(-n2cnnn2)cc1NC(=O)[C@H]1Cc2ccccc2O1 40553167 ADQZMMLDIQNRDN-MRXNPFEDSA-N 321.340 1.913 0 40 DDAB CCn1nccc1CN(C)S(=O)(=O)c1ccc(OC)cc1 20602037 IBZDWJQFKCIYLW-UHFFFAOYSA-N 309.391 1.732 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 41128502 XLZUUXGJKCTFHV-SECBINFHSA-N 306.749 1.450 0 40 DDAB Cc1c(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)cnn1C 21603534 DLWNLZCJGAFFTF-LBPRGKRZSA-N 307.394 1.970 0 40 DDAB O=C(CC[C@@]1(C(=O)O)CCC(=O)NC1)NCc1ccccc1 53601 KFUNZJUZXYJCRY-MRXNPFEDSA-N 304.346 1.064 0 40 DDAB CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 379224 CLXIPFTTZYFZSR-UHFFFAOYSA-N 318.398 1.936 0 40 DDAB Cc1cccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)n1 78979933 YHRZBVVNDPPRGO-ZIAGYGMSSA-N 318.421 1.979 0 40 DDAB CCOC(=O)COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1 2488653 MJQZSWSYPVCYIT-AAEUAGOBSA-N 311.359 1.417 0 40 DDAB C[C@H](OC(=O)c1cccc(I)c1)C(N)=O 3435928 MMPOHBOPPRYHLK-LURJTMIESA-N 319.098 1.322 0 40 DDAB COc1ccc(C(=O)N(C)Cc2cnn(C)c2)c(OC)c1OC 25045995 ZLGFENKGIXREMM-UHFFFAOYSA-N 319.361 1.718 0 40 DDAB O=C(/C=C/c1ccc(Cl)s1)NCCN1CCOCC1 55544544 QVNUTYHKROVVEE-DUXPYHPUSA-N 300.811 1.863 0 40 DDAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc[n+]1[O-] 56272859 XMDVPNKTXRMZKL-AWEZNQCLSA-N 314.341 1.224 0 40 DDAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)CO)s1 95442312 BPHXPQZLXADEQY-PWSUYJOCSA-N 304.437 1.589 0 40 DDAB C[C@H]1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CCO1 58014299 YEYKUFVNKHKHFM-LBPRGKRZSA-N 319.361 1.891 0 40 DDAB COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O 8700638 VXUFUHZLHCGTBJ-VXGBXAGGSA-N 311.334 1.707 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1F 44893462 AYPPVWQICTYGSQ-SECBINFHSA-N 319.336 1.321 0 40 DDAB O=C(NCc1ccccc1Cn1ccnc1)NC[C@H]1CCCO1 44966233 WJYWFOVJGXHNSP-MRXNPFEDSA-N 314.389 1.910 0 40 DDAB CCCN1CCC(NC(=O)[C@H](NC(C)=O)C2CCCC2)CC1 58367329 PYOIESLGAKHITE-MRXNPFEDSA-N 309.454 1.672 0 40 DDAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(N)=O 9189022 BPCJXADAONTOBU-UHFFFAOYSA-N 308.403 1.721 0 40 DDAB C[C@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCCO1 27907523 CLIDIFGGKXXUSJ-ZANVPECISA-N 321.768 1.613 0 40 DDAB COc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 9912031 DZPMKXAZWZFFBP-UHFFFAOYSA-N 316.332 1.767 0 40 DDAB CC[C@H](NCc1cccnc1OC)C(=O)Nc1cc(C)on1 28340433 YFOHMFLGSDMZPB-LBPRGKRZSA-N 304.350 1.894 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)C1 110648654 LOSBKNPCLMGGIA-DHGKCCLASA-N 300.424 1.072 0 40 DDAB Clc1cccc(-n2ncc3c(N4CCNCC4)ncnc32)c1 11568664 SKKJWARYNBKGKS-UHFFFAOYSA-N 314.780 1.879 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)c(=O)[nH]1 75120327 ZBVHWTSCONTFKK-JTQLQIEISA-N 311.341 1.669 0 40 DDAB Cn1nc(C(F)(F)F)cc1C(=O)NCCn1cc(Cl)cn1 2780618 NBCFQHGLCNZLRD-UHFFFAOYSA-N 321.690 1.719 0 40 DDAB O=S(=O)(C1CC1)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 108525324 IEXQFBGQUHNKBI-LSDHHAIUSA-N 307.419 1.222 0 40 DDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCO[C@@H](C)C1 12344782 KVJBWASODKVZLB-ZDUSSCGKSA-N 304.390 1.695 0 40 DDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCc3ccsc3)CCO2)n1 89289742 FGXCXFCYNGVNIL-LBPRGKRZSA-N 320.418 1.961 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnn(CC)c1)CC2 89305771 NKDLOLFEFUNEMD-UONOGXRCSA-N 307.394 1.295 0 40 DDAB COCc1ccccc1NC(=O)CSc1nnnn1C1CC1 48226728 GPQSEXYTZDLHRW-UHFFFAOYSA-N 319.390 1.885 0 40 DDAB Cc1cccc2c(N(C)C3CCS(=O)(=O)CC3)ncnc12 95426309 OHWSBSJADPHRRH-UHFFFAOYSA-N 305.403 1.952 0 40 DDAB Cc1nn(C)c2sc(C(=O)N3CC[C@@H](CC(=O)O)C3)cc12 89711588 CJHOFJJNLHVEOI-VIFPVBQESA-N 307.375 1.880 0 40 DDAB Cc1ccc(OCCNC(=O)Cn2c(C)csc2=O)cc1 23623734 FEAKPIDSEZNXOY-UHFFFAOYSA-N 306.387 1.722 0 40 DDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc2ccccc12 27975750 YSQJZBSWGBAGHF-UHFFFAOYSA-N 321.402 1.517 0 40 DDAB CN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 23129346 JAXHKMUCWQBUJW-UHFFFAOYSA-N 306.391 1.241 0 40 DDAB Cc1nn2c(SCC(=O)c3ccc(F)cc3)nnc2nc1O 4251377 JMESTGKRAZHKFB-UHFFFAOYSA-N 319.321 1.647 0 40 DDAB O=C(Nc1cnn(-c2nccs2)c1)N1CCCC[C@@H]1CO 89876909 GHKXGHODJNISJL-LLVKDONJSA-N 307.379 1.708 0 40 DDAB C[C@@H]1CCC[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)[C@@H]1C 14201301 LETUYZFPSYQLFJ-WZRBSPASSA-N 317.393 1.071 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(C)c1 5419421 GTHSXINFGSEKAK-UHFFFAOYSA-N 322.430 1.546 0 40 DDAB Cc1c(C)n(Cc2cccnc2)c2ncn(CCN(C)C)c(=N)c12 6670387 ZQHHNCWXZRZGLL-UHFFFAOYSA-N 324.432 1.939 0 40 DDAB CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 4748596 JRTWICWVHKUZKO-UKTHLTGXSA-N 311.297 1.698 0 40 DDAB CCN(C[C@H]1CN(Cc2ccno2)CCO1)c1cccnn1 89969169 BHWVINOSFGDJMO-CQSZACIVSA-N 303.366 1.192 0 40 DDAB CCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 27938158 BQFCKJQJFFFAHT-UHFFFAOYSA-N 302.334 1.094 0 40 DDAB COCC(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96454524 IDVVMTDVAIKBNT-GFCCVEGCSA-N 304.268 1.169 0 40 DDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cccc(Cl)c1 4921128 CCLJFOCQKAZYQN-LURJTMIESA-N 324.797 1.809 0 40 DDAB CCOC(=O)c1ccoc1CN(C)CC(=O)NCc1ccco1 15305668 ITNXHCCULCTEKN-UHFFFAOYSA-N 320.345 1.798 0 40 DDAB NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 7304931 ZSRKQWNBJLNDOJ-CQSZACIVSA-N 308.403 1.204 0 40 DDAB O=C(CCc1ccncc1)N1CCC(Nc2cccnn2)CC1 71863381 XLKGURWGQDUIRZ-UHFFFAOYSA-N 311.389 1.907 0 40 DDAB NC(=O)[C@@H]1CCCN1CCOc1ccc(OC(F)(F)F)cc1 80626775 AZBLKEIAZQEAIU-LBPRGKRZSA-N 318.295 1.914 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 306144228 YZTWVORNZBEFTG-LBPRGKRZSA-N 323.368 1.762 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)c2ccccc2)c(=O)[nH]c1=O 7799558 DXPUKFZNLUENQV-UHFFFAOYSA-N 316.361 1.196 0 40 DDAB in-vitro CCn1c(C)nnc1CN(C)[C@H]1CCN(Cc2ccon2)C1 83836885 IFLGSNXMBNAFJW-AWEZNQCLSA-N 304.398 1.301 0 40 DDAB COC[C@H](C)N1C[C@H](C(=O)N(C)Cc2ccccc2)CC1=O 8234988 DAZBRLUKNPTXJJ-DZGCQCFKSA-N 304.390 1.528 0 40 DDAB CC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1 8327677 TWDLHQUYJGUGNG-UHFFFAOYSA-N 319.361 1.223 0 40 DDAB Cc1cc(N(C)C)nc(N2CCC[C@@H]2Cn2nc(C)nc2C)n1 69559617 AZEKYMUCDIEMJX-CQSZACIVSA-N 315.425 1.728 0 40 DDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](n2ccnc2)C1 69869687 AIKKNVCITMDLRS-HNNXBMFYSA-N 323.360 1.336 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2c1cnn2C 69951151 GVXVDESSKWDENK-ZIAGYGMSSA-N 314.393 1.343 0 40 DDAB Cn1cc([C@H]2CCCN2Cc2cccc(OCC(N)=O)c2)cn1 69968277 CHCAHPYLIDOHMA-MRXNPFEDSA-N 314.389 1.621 0 40 DDAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ncccn1 69978343 OOFHRXGEWJEYMS-UHFFFAOYSA-N 314.345 1.586 0 40 DDAB CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)ccn2)n1 92736577 PEJXHFUXDDFOBK-UHFFFAOYSA-N 319.752 1.811 0 40 DDAB Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1F 9058162 VPYKJKBXNLDQBP-UHFFFAOYSA-N 318.352 1.857 0 40 DDAB O=C1CCCCN1CSc1nnnn1Cc1ccccc1 97080537 XYMIKJJFYWKYQD-UHFFFAOYSA-N 303.391 1.784 0 40 DDAB C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)[C@@H]2CCCC[C@H]12 97083243 PZCIDCMJTIALKV-XJFOESAGSA-N 314.451 1.784 0 40 DDAB O=C(COc1cccc(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269374 FMAJKOKMIKIIHV-CVEARBPZSA-N 322.380 1.262 0 40 DDAB CN(c1ncnc2c1cnn2CCO)[C@H]1CCc2ccccc21 97200170 PSMBXZCIVSKJDS-HNNXBMFYSA-N 309.373 1.942 0 40 DDAB CC(C)[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)c2ccccc2N1 84456630 YAMLLJMQWDKYJG-ZBFHGGJFSA-N 303.406 1.800 0 40 DDAB CCOc1ccc(C(=O)O[C@H](C)CN2CCN(C)CC2)cc1 20266583 ORJYUGXIZORXEC-CQSZACIVSA-N 306.406 1.878 0 40 DDAB CC(=O)c1cc2c(cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C)OCO2 62001821 WHRMSMCHROEEOW-OLZOCXBDSA-N 319.313 1.913 0 40 DDAB biogenic COc1ccc(SCC(=O)N2CCC(C(N)=O)CC2)cc1 20110139 SQOCVSQCDAHFFT-UHFFFAOYSA-N 308.403 1.511 0 40 DDAB CN(C(=O)c1ccc2nc(S)oc2c1)C1(C(N)=O)CCCC1 152343867 LARLBXFWKLPUPZ-UHFFFAOYSA-N 319.386 1.987 0 40 DDAB CC(C)C[C@@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1873390 LLGXVYIDBJEJNB-HZSPNIEDSA-N 303.406 1.167 0 40 DDAB biogenic COC[C@@H]1CCN(C)C2(C1)CN(C(=O)C1CC(F)(F)C1)C2 306130296 JBQNRTRIHJJDBF-LLVKDONJSA-N 302.365 1.601 0 40 DDAB CN(C)c1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)ccn1 79051925 YSOQVKMZDVFVIY-UHFFFAOYSA-N 313.423 1.091 0 40 DDAB CCn1nccc1CN(C)S(=O)(=O)c1c(C)nn(C)c1C 36615288 XKUHHPLISKTOSY-UHFFFAOYSA-N 311.411 1.074 0 40 DDAB COc1ccccc1NCC(=O)NC[C@H]1CCN(C(C)C)C1 79044648 YTPVIRCEHQGNHW-CQSZACIVSA-N 305.422 1.954 0 40 DDAB O=C(O)CN1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79413990 AFFVZVDFHIHCDO-HNNXBMFYSA-N 318.373 1.947 0 40 DDAB Cn1cccc1[C@@H](O)CCNC(=O)NCCc1ccccc1 217950369 XCRDDPLQLLCIDY-INIZCTEOSA-N 301.390 1.991 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)Cc1cccc(C(N)=O)c1 78556314 CSNGJAZOOIWZOW-RKFFSXRUSA-N 324.446 1.728 0 40 DDAB Cc1ccc(C(=O)NC[C@H]2CNCCCO2)c(F)c1Cl 565827947 QGMDJIYUSPQMFR-SNVBAGLBSA-N 300.761 1.896 0 40 DDAB CN1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 32716596 IBWPJDOHJHYZEX-UHFFFAOYSA-N 309.454 1.435 0 40 DDAB COCCNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 72364901 NFWCANJKNDJGNW-GFCCVEGCSA-N 313.423 1.279 0 40 DDAB CCCS(=O)(=O)CC(=O)N(C)[C@@H]1CCc2ccccc2C1 74604813 LKXIIXIAEGQQHL-OAHLLOKOSA-N 309.431 1.827 0 40 DDAB CO[C@@H]1C(=O)N(c2cccc(Br)c2)[C@@H]1C(=O)O 218278268 URIMZIHSRBQCOS-IUCAKERBSA-N 300.108 1.264 0 40 DDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc(F)c(Cl)c1 41670474 QKDGNTBALVTXTH-UHFFFAOYSA-N 324.695 1.978 0 40 DDAB Cc1cc(-n2ccnc2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72360673 FMCYFUZYZCJNIY-NSHDSACASA-N 307.379 1.067 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)Nc1ncc(C)s1 41123922 JVKCDRDEVPFRSJ-UHFFFAOYSA-N 304.379 1.965 0 40 DDAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CCCOC1 88237096 QZHVFJWLAKLNQG-MFKMUULPSA-N 324.327 1.613 0 40 DDAB COc1ccnc(N2CCN(C(=O)C[C@H](C)C3CC3)CC2)n1 63779229 UVTFEEYCTYQJOD-LBPRGKRZSA-N 304.394 1.570 0 40 DDAB O=c1cc(N2CC[C@H](OCc3ccncc3)C2)nc2ccccn12 192907344 VFMDVKHCVSNLJG-HNNXBMFYSA-N 322.368 1.885 0 40 DDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@]1(O)CCOC1 178906409 SZIYFYXMBGEOFX-OAHLLOKOSA-N 313.781 1.765 0 40 DDAB Cn1nc(C(=O)N2CCSCC2)cc1NC(=O)c1ccco1 40745771 STRDTIMLUUCTGO-UHFFFAOYSA-N 320.374 1.454 0 40 DDAB CC[C@@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 191421234 SANDXEDMBGTFCI-ZDUSSCGKSA-N 310.781 1.847 0 40 DDAB CCc1noc(C)c1C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 330718324 AJEDTLKDOZVOOX-WCBMZHEXSA-N 302.396 1.439 0 40 DDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 97953829 BTNRUKKABYUNBT-CFVMTHIKSA-N 307.394 1.359 0 40 DDAB c1cncc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)c1 96058651 FWBSPPUAGIVMEG-OAHLLOKOSA-N 310.401 1.976 0 40 DDAB COCCN1C[C@@H]2[C@@H](OC)CCN(Cc3cccc(C)n3)[C@@H]2C1 96109422 HTTLQQGZQPWCPY-KSZLIROESA-N 319.449 1.558 0 40 DDAB CNC(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 95403620 WQKUQTLEXQYLFY-VIFPVBQESA-N 306.284 1.665 0 40 DDAB CCn1nnc2c1CCN(CCN1CCCCC1)[C@@H]2COC 96045333 YNCNNVDEUOIEAL-OAHLLOKOSA-N 307.442 1.330 0 40 DDAB Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)NCc2ccccc2)cn1 96200590 MSPHCNAVIYTMLE-HOTGVXAUSA-N 314.389 1.308 0 40 DDAB Cc1cc(=O)c(C(=O)NCc2cccnc2OCC(F)F)c[nH]1 95450745 HFJNXQHDQPBGFK-UHFFFAOYSA-N 323.299 1.652 0 40 DDAB O=C(c1cnccn1)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046132 BSFNNFZMASSXDL-NILFDRSVSA-N 311.345 1.259 0 40 DDAB CC[C@H](C)N(C)C(=O)[C@@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 96239499 WXPAQLYFHJNNOG-JSGCOSHPSA-N 320.389 1.910 0 40 DDAB Cc1cc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)no1 247876408 AIYMANHDUBKAOE-CQSZACIVSA-N 316.361 1.585 0 40 DDAB CCS(=O)(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 253494076 WIRZWCPAWSYCFV-NSHDSACASA-N 314.432 1.370 0 40 DDAB COc1ccccc1[C@@H]1CNCCN1CC(=O)N1CCCC1 257300112 RSYHLMTVVCDXRY-HNNXBMFYSA-N 303.406 1.264 0 40 DDAB CN(C(=O)CCn1ccnc1)[C@H]1CCCN(c2ccccn2)C1 257275760 NQTUVXPXRYETGE-HNNXBMFYSA-N 313.405 1.796 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cc(Cl)no2)n1 257297445 RHGHVFBFANXDCS-LLVKDONJSA-N 324.768 1.892 0 40 DDAB O=C1CCCN1C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575406714 QYFQRMQKNLYESS-CQSZACIVSA-N 302.378 1.189 0 40 DDAB CCCS(=O)(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1 575402757 GTACOCISIXXRBK-LBPRGKRZSA-N 305.465 1.713 0 40 DDAB CCOCC(=O)N1CC(F)(F)C[C@@]2(CCN(CC)C2=O)C1 585093190 IDNCGZXMBUKNNI-ZDUSSCGKSA-N 304.337 1.129 0 40 DDAB CCOc1ncnc2c1CN([C@@H](C(N)=O)c1ccccc1)CC2 65463579 SEVPOIDMXAFMHV-OAHLLOKOSA-N 312.373 1.460 0 40 DDAB CCCOc1ccc(CNC(=O)c2c(O)nnc(C)c2C)cn1 71886329 VVRGBRLUYHMNNA-UHFFFAOYSA-N 316.361 1.913 0 40 DDAB Cc1nc2sccn2c1CNC[C@H]1CCc2nnc(C)n2C1 72267356 AJMXPYQBQDHQMY-GFCCVEGCSA-N 316.434 1.956 0 40 DDAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCNS(C)(=O)=O)o1 44024912 PGIOBRKZRXRZLD-JQWIXIFHSA-N 314.407 1.001 0 40 DDAB Cc1nnc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 48249085 ODYNMYRZMOJHJB-UHFFFAOYSA-N 316.361 1.425 0 40 DDAB CCn1c(CCNC(=O)[C@H](O)c2ccccc2)n[nH]c1=S 73497301 SZMNMLXVFZOYCO-GFCCVEGCSA-N 306.391 1.353 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@@H]3CCc4cc(F)ccc43)nn12 56314957 TZBYAUFLZPYHRH-CYBMUJFWSA-N 311.320 1.989 0 40 DDAB O=C1CCc2cc(S(=O)(=O)Nc3nccs3)ccc2N1 60948711 AYYJZRZWYZXCCF-UHFFFAOYSA-N 309.372 1.829 0 40 DDAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 78881299 CNQSDKYYAJLVQL-GFCCVEGCSA-N 301.350 1.966 0 40 DDAB Cc1cc(C(=O)NCC(=O)O)ccc1I 4615110 NUIJIPONCUFFSD-UHFFFAOYSA-N 319.098 1.414 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166535 GAQNOSJLIDOHGF-UHFFFAOYSA-N 318.348 1.523 0 40 DDAB CC(=O)N[C@@H](CC(=O)NCc1noc(C)n1)c1ccc(F)cc1 19286055 DCVJUQPUUFNFNW-ZDUSSCGKSA-N 320.324 1.401 0 40 DDAB COc1cccc(CSCc2cc(=O)n3nc(N)[nH]c3n2)c1 104070740 NMIVJPPCFWIEJU-UHFFFAOYSA-N 317.374 1.442 0 40 DDAB CCn1ncc(CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)n1 528081173 JSTGXQKVMNZELZ-OLZOCXBDSA-N 307.398 1.397 0 40 DDAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccco1 390832497 ZSDQQLAHIXCLPQ-QMMMGPOBSA-N 314.267 1.926 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1OC 5482513 AFPYFTMKTKPKNC-CQSZACIVSA-N 320.345 1.847 0 40 DDAB O[C@@H](CNCc1ccccn1)COc1ccc2c(c1)OCO2 6393679 QAQWMKKOKBTDMR-ZDUSSCGKSA-N 302.330 1.340 0 40 DDAB COCc1nsc(N2C[C@@H]3CN(c4cnccn4)C[C@@H]3C2)n1 1888856918 XZWYHXOLCZUNHU-PHIMTYICSA-N 318.406 1.047 0 40 DDAB Cc1ncnc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c1C 1889099041 DKLNYWGTHPGZHC-GFCCVEGCSA-N 310.423 1.144 0 40 DDAB Cc1onc(C(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)c1C 2056223974 JVQLQLOZWRZMSA-ZDUSSCGKSA-N 321.446 1.991 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc1F 1614931022 RFDIPHVLPJNBJY-XJKSGUPXSA-N 322.380 1.166 0 40 DDAB CC(C)N1CCO[C@H]2CN(C(=O)CC3(O)CCC3)CC[C@H]2C1 1565546173 VEEZRULPXMLKLZ-GJZGRUSLSA-N 310.438 1.249 0 40 DDAB Cn1cc(-c2ncccc2CNC(=O)c2cncc(F)c2)cn1 575617550 FLHUJBKBZZRVCG-UHFFFAOYSA-N 311.320 1.946 0 40 DDAB Cc1ncsc1C(=O)NCc1nc(-c2cnn(C)c2)no1 390831125 PTIKJOLBPSQWOC-UHFFFAOYSA-N 304.335 1.165 0 40 DDAB O=C(NCCn1cccnc1=O)c1ccc(Br)o1 667389771 ZPAHEMWLNLACTF-UHFFFAOYSA-N 312.123 1.029 0 40 DDAB COc1ccc(Cc2n[nH]c(Nc3cccnc3)nc2=O)cc1 5154616 OWMODQGUBZRFAS-UHFFFAOYSA-N 309.329 1.903 0 40 DDAB O=C(NCC1CCC1)c1cn(-c2ccc3c(c2)OCCO3)nn1 31438071 RHWNSXYYHVYUST-UHFFFAOYSA-N 314.345 1.568 0 40 DDAB NS(=O)(=O)c1ccc(CNC(=O)Nc2cccnc2)cc1 40474219 MSDFRCJLGSMNOI-UHFFFAOYSA-N 306.347 1.051 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)N2CCOCC2)o1 40488256 NTLWTKDAXYQWHL-DGCLKSJQSA-N 314.407 1.412 0 40 DDAB CCCCc1nnc(NC(=O)N[C@@H](C)c2nncn2C)s1 40554485 GHXKNIGHWGPMEQ-QMMMGPOBSA-N 309.399 1.892 0 40 DDAB CS(=O)(=O)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 40543922 HMKLQDBJUSOCNK-UHFFFAOYSA-N 323.349 1.190 0 40 DDAB OCCN1CCN(Cc2c(Cl)ccc3cccnc23)CC1 51210579 YGTSSTXAEXPENE-UHFFFAOYSA-N 305.809 1.998 0 40 DDAB O=C1c2ccccc2C(=O)N1CCN1CCN(CC2CC2)CC1 52164970 XNBVDWQITSSVPH-UHFFFAOYSA-N 313.401 1.310 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 52325397 XHWWNFHBBQKKCV-SNVBAGLBSA-N 304.354 1.078 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CC(=O)c2cccn2C)cc1 21573336 HCFVCJGNKMYNOF-UHFFFAOYSA-N 322.386 1.537 0 40 DDAB CCOCCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 21777923 RWIIOCKPDGJDCX-UHFFFAOYSA-N 318.373 1.492 0 40 DDAB CCc1ccc2c(COC(=O)[C@H]3CCC(=O)N3)cc(=O)oc2c1 21850016 WGAMVBVSBAXVAH-CYBMUJFWSA-N 315.325 1.677 0 40 DDAB CCCn1nc(C(=O)NC[C@@H]2CCOC2)c2ccccc2c1=O 41376586 LZSSYGVKNPJPCF-LBPRGKRZSA-N 315.373 1.573 0 40 DDAB C[C@@H]1CN(C(=O)c2cccnc2N2CCOCC2)C[C@@H](C)O1 22836305 YUCZQPDQRCGSSH-CHWSQXEVSA-N 305.378 1.168 0 40 DDAB CCOC(=O)c1c(C)n(CCNC(C)=O)c2ccc(O)cc12 36617 MAQLZFJQJNSRRS-UHFFFAOYSA-N 304.346 1.968 0 40 DDAB biogenic COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccccc1F 78532 BMBPQDQBAKQBPE-ZDUSSCGKSA-N 306.293 1.886 0 40 DDAB CN(C[C@@H]1COc2ccccc2O1)c1ncnc2c1cnn2C 12485696 YMEPYFPYYVSFGC-LLVKDONJSA-N 311.345 1.640 0 40 DDAB COc1cccc(CCNC(=O)N2CCC(C(N)=O)CC2)c1 42948348 HFEMTRJSKNMCLQ-UHFFFAOYSA-N 305.378 1.145 0 40 DDAB O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)CN1 47719806 IAYCYNKGVVTQHX-CHWSQXEVSA-N 305.378 1.059 0 40 DDAB O=C(NCCCn1cncn1)N[C@@H]1CCOc2ccccc21 47866741 SMSLRBGXAFTUKT-CYBMUJFWSA-N 301.350 1.491 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H](N(C)C)C2)n(C(C)(C)C)n1 78642231 LKQZBPYMPLHBDR-CQSZACIVSA-N 321.469 1.911 0 40 DDAB Cc1ccnc2nc(C(=O)N[C@@H]3CCC[C@@H]3n3ccnc3)nn12 78890750 XEVITBBNNDPWAJ-NEPJUHHUSA-N 311.349 1.153 0 40 DDAB NC(=O)CN1CCC(NC(=O)CCc2cccc(Cl)c2)CC1 43122458 AUJSVMYLGYNGNS-UHFFFAOYSA-N 323.824 1.339 0 40 DDAB Cc1c(C(=O)Nc2nnn[nH]2)nnn1-c1ccc(Cl)cc1F 78878327 BPJOINDUUWSATC-UHFFFAOYSA-N 322.691 1.134 0 40 DDAB Cn1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc2ccccc21 106184127 QRPNUWTXIFGSDM-GJZGRUSLSA-N 313.401 1.771 0 40 DDAB CC(C)CN1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 55274991 RNCHITHCJVOQGL-HNNXBMFYSA-N 315.417 1.913 0 40 DDAB Cc1c(Br)c(C(=O)NC2=NCCS2)nn1C 2765816 FLRFCCZRDOYEHB-UHFFFAOYSA-N 303.185 1.324 0 40 DDAB Cc1sc2nc([C@H](C)Sc3nnnn3C)[nH]c(=O)c2c1C 3342090 GGXVLCQJDAWVKM-ZETCQYMHSA-N 322.419 1.978 0 40 DDAB CCN(CC)C[C@H](O)CN1CCN(Cc2ccccc2)CC1 84771217 UZFZDABIUNDMTB-SFHVURJKSA-N 305.466 1.507 0 40 DDAB COc1ccc(C2(O)CCN(CC(=O)NC(C)C)CC2)cc1 4967675 MZKFXHMMRXUAHZ-UHFFFAOYSA-N 306.406 1.503 0 40 DDAB Cc1cc(CN2CCN(C(=O)Nc3ccn(C)n3)CC2)no1 107053796 PPSKKTVXVGVTTH-UHFFFAOYSA-N 304.354 1.066 0 40 DDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N1CCc2ccccc21 6533320 FQHSCEGBDOGPNM-VIFPVBQESA-N 315.402 1.711 0 40 DDAB CC[C@H](CO)NC(=O)Cc1cc(OC)ccc1Br 95994257 IASANQPQNGPCJO-SNVBAGLBSA-N 316.195 1.887 0 40 DDAB Cc1cc(NC(=O)c2cc(S(N)(=O)=O)c(C)s2)no1 6680192 GHRLUIYDRZUYQO-UHFFFAOYSA-N 301.349 1.253 0 40 DDAB O=C(Cn1ccccc1=O)N1CCN(c2ccc(F)cc2)CC1 7106147 OONIMLHKZILWKL-UHFFFAOYSA-N 315.348 1.336 0 40 DDAB CN(C)C(=O)CNC(=O)NCCOc1cccc2ccccc12 56963080 FVBUIAWNAYGSTH-UHFFFAOYSA-N 315.373 1.606 0 40 DDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cc(C)[nH]n1 95437823 VSJSXRYCANSKRE-AWEZNQCLSA-N 319.336 1.300 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)/C=C/c1nc2ccccc2o1 44534725 MSESCTFZVXPPFB-YBJDMEARSA-N 315.373 1.678 0 40 DDAB Cn1cc(-c2nc(C(=O)NCCCn3ccnc3)cs2)cn1 44815050 DKIFSMNZNHKGAF-UHFFFAOYSA-N 316.390 1.560 0 40 DDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 44945908 QLDGIDHZJFOWPA-WPRPVWTQSA-N 318.345 1.512 0 40 DDAB Cn1ccnc1CN(C(=O)c1ccnc(-n2ccnc2)c1)C1CC1 58314870 GNRSBPKDGQRGOA-UHFFFAOYSA-N 322.372 1.806 0 40 DDAB COC(=O)c1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 10457225 BFVLECCAYMIMTO-UHFFFAOYSA-N 314.341 1.708 0 40 DDAB Cc1oc2nc(SCCCC(=O)NCCO)nc(N)c2c1C 2263019 SAYVSSKWXCLDOG-UHFFFAOYSA-N 324.406 1.403 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1C 10747688 YJNGXAITQYXRLT-BZYZDCJZSA-N 305.330 1.985 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 36389629 DKEJQFAVWJHSIU-AWEZNQCLSA-N 303.406 1.164 0 40 DDAB CCN(CC(=O)N[C@H]1CCCCNC1=O)Cc1cccc(F)c1 46056090 HDGVAEIUQFOBGT-HNNXBMFYSA-N 321.396 1.433 0 40 DDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C 2701940 JTFJCGPHFHPQMS-SNVBAGLBSA-N 300.355 1.065 0 40 DDAB NC(=O)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 52393910 AHRYMLVCYWXVAR-QMMMGPOBSA-N 322.308 1.292 0 40 DDAB O=C1C[C@H](C(=O)N(C[C@H]2CCOC2)C2CC2)CN1C1CCCC1 46937074 PJCQYNQISYJHIS-KGLIPLIRSA-N 320.433 1.805 0 40 DDAB Cc1cccc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)n1 107199718 NVVSBMVNCXQXHI-CABCVRRESA-N 311.389 1.617 0 40 DDAB COc1cccc(CNC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1 65232624 RYDISKZZPKODBL-UHFFFAOYSA-N 323.356 1.734 0 40 DDAB CS(=O)(=O)CCCCOC(=O)CSc1ccccc1O 95452615 CBZOTRHPQJJAKG-UHFFFAOYSA-N 318.416 1.852 0 40 DDAB COc1cc2cc(C(=O)N[C@@H](C)C(=O)O)n(C)c2cc1OC 4000445 GVIGKRRXDTZNIY-QMMMGPOBSA-N 306.318 1.398 0 40 DDAB biogenic O=C(C1CCC1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005291 LTWGZNFEAZNPKN-CQSZACIVSA-N 314.451 1.640 0 40 DDAB C[C@@H]1CCCN(C(=O)COC(=O)[C@H]2COc3ccccc3O2)C1 6056017 QBCUWDCOHLGXRP-IUODEOHRSA-N 319.357 1.628 0 40 DDAB CNC(=O)CCNC(=O)c1ccn(-c2cc(C)ccc2OC)n1 65619379 UUSPPNCALFESNU-UHFFFAOYSA-N 316.361 1.055 0 40 DDAB Cn1nnnc1SC[C@H](O)COc1cccc2ccccc12 65608942 HIQKYDNZTHTAEG-GFCCVEGCSA-N 316.386 1.895 0 40 DDAB Cc1noc(CNC(=O)NCc2ccccc2-n2ccnc2)n1 66188435 WWOUDBYOHXKJGG-UHFFFAOYSA-N 312.333 1.563 0 40 DDAB CN1[C@H](Cc2cccn2C)[C@@H](O)c2ccccc2S1(=O)=O 9481229 CCPQDKVWIVLSQJ-HIFRSBDPSA-N 306.387 1.304 0 40 DDAB C[C@@H]1CN([C@H](C)C(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1 15254588 PLZQSARLABPFQQ-MGPQQGTHSA-N 308.397 1.982 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)SCc2nnnn2C2CC2)no1 71798141 UAFYSLHJUBKXRD-MRVPVSSYSA-N 308.367 1.565 0 40 DDAB Cc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCCC2)n1 67843415 IPYOLJNURMNNMR-UHFFFAOYSA-N 314.393 1.094 0 40 DDAB O=C(CCn1cncn1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 71883539 XSSFOKIQBTWMDC-GFCCVEGCSA-N 321.331 1.342 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1csc(C)n1 71841264 BEWSSWQWXWLXGY-NXEZZACHSA-N 312.439 1.596 0 40 DDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@@H](C(=O)N(C)C)C1 68970484 XHIDKPFIQIXXMU-HIFRSBDPSA-N 322.380 1.840 0 40 DDAB Cc1cc(NC(=O)C(=O)NCCc2nccs2)ccc1F 70009022 QRBPYYKQYLEOAB-UHFFFAOYSA-N 307.350 1.888 0 40 DDAB COCc1nc(C(=O)N2CCC[C@@H](n3cccn3)C2)cs1 69326013 BDCAHWYWKXLCPX-LLVKDONJSA-N 306.391 1.963 0 40 DDAB C[C@H](O)CN1CCC(CNCc2nc3ccccc3n2C)CC1 69347327 MIQWLXAOJUCSGA-AWEZNQCLSA-N 316.449 1.756 0 40 DDAB Cn1nccc1CNc1cc(N2CCC[C@H](CO)C2)ncn1 91428338 HNCNSEXKWXEDCI-LBPRGKRZSA-N 302.382 1.031 0 40 DDAB CN(C[C@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1 83858990 GHNVOZNGXVHFIT-MSOLQXFVSA-N 314.433 1.845 0 40 DDAB c1ccc(-n2cc(CN3CCO[C@H](Cn4cccn4)C3)nn2)cc1 69418665 XWGVSQBNXDJQSK-KRWDZBQOSA-N 324.388 1.365 0 40 DDAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)N(C)C)cn1 69581367 USDOSURZIAFOSL-VIFPVBQESA-N 307.379 1.240 0 40 DDAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccn2)c1 23026781 OTIKWWGGZHPGEO-UHFFFAOYSA-N 324.333 1.486 0 40 DDAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 17301446 WIAWTXOXFXJWSR-UHFFFAOYSA-N 314.407 1.058 0 40 DDAB COC(=O)CNC(=O)C1(c2ccccc2Cl)CCOCC1 69633087 OSMWXOBOFXOESY-UHFFFAOYSA-N 311.765 1.677 0 40 DDAB CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2C1 69894342 SSGPHMLFEVGXGR-AWEZNQCLSA-N 313.401 1.476 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 69841824 WYKQBYWSZXVSSW-HIFRSBDPSA-N 306.410 1.076 0 40 DDAB Cc1cnn(CC(=O)N2CCC(Nc3ccc(C)nn3)CC2)c1 69901344 IRLWGWYNOYUQNV-UHFFFAOYSA-N 314.393 1.393 0 40 DDAB COc1cccc(C(=O)Nc2nc3nc(C)c(C)c(O)n3n2)c1 18221960 GDJQECZSKPWEDO-UHFFFAOYSA-N 313.317 1.708 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCC1 72234951 IZQNEIFMJZMFQN-CVEARBPZSA-N 319.453 1.952 0 40 DDAB C[C@H](NC(=O)c1nccnc1N)c1cccc(-n2cccn2)c1 74037057 SUWPCKSUILZBFM-NSHDSACASA-N 308.345 1.736 0 40 DDAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)o1 72313397 HHQOGKWGADMDMU-GFCCVEGCSA-N 316.361 1.165 0 40 DDAB COC(=O)Nc1ccc(OC(=O)c2c(C)c(C)n[nH]c2=O)cc1 95951761 NCDPCLZWYOSIKU-UHFFFAOYSA-N 317.301 1.784 0 40 DDAB Cc1noc([C@H](C)S(=O)(=O)Cc2noc(C(C)(C)C)n2)n1 89718564 RROUSCACQSKSBJ-ZETCQYMHSA-N 314.367 1.735 0 40 DDAB CN(C[C@H](O)C1CC1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 89880341 VGRIUMRKRUTOPG-LBPRGKRZSA-N 319.386 1.841 0 40 DDAB CCCS(=O)(=O)CCN[C@@]1(CO)C[C@H](C)CC(C)(C)C1 89960361 OASIHACFBKNKJA-HIFRSBDPSA-N 305.484 1.978 0 40 DDAB CC[C@H](C)NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 170335868 UACJOHQDCKWAJA-NSHDSACASA-N 308.378 1.277 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 60368155 GZPPOPFIHMWJSZ-OAHLLOKOSA-N 324.402 1.427 0 40 DDAB O=C(c1ccn(Cn2cc(Br)cn2)n1)N1CCCC1 62701438 YRXHEFJGMMFGGG-UHFFFAOYSA-N 324.182 1.584 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccccn3)C[C@H]2N1c1ccccc1 67897059 CUFZYHJHBGLKOZ-SJORKVTESA-N 309.369 1.698 0 40 DDAB biogenic,in-vitro CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OC 332973 CNNIZHGZVLYWJQ-CYBMUJFWSA-N 320.345 1.895 0 40 DDAB biogenic O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1cccc1 524734092 VYTUYLMREMQLKL-UHFFFAOYSA-N 314.389 1.130 0 40 DDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218088862 XOXMMNSDYLEMSJ-KKUMJFAQSA-N 313.419 1.330 0 40 DDAB CC/C=C(/C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 122174818 HOULMQJHFUXBIJ-KERCULKWSA-N 307.438 1.450 0 40 DDAB Cc1noc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)n1 26587175 VKUIHOIXXCVGDH-UHFFFAOYSA-N 318.333 1.559 0 40 DDAB O=C1N(Cc2cccnc2)C[C@H]2CN(C3CCOCC3)CCN12 77266581 VHHSAKKUCNTMJU-MRXNPFEDSA-N 316.405 1.182 0 40 DDAB biogenic,in-vitro Cc1cc(CCC(=O)NCC(=O)O)cc([C@@H]2CCCN2C)n1 72366948 XJMIRNBTKFBBGF-AWEZNQCLSA-N 305.378 1.290 0 40 DDAB CCc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1C 225897759 DMQFBMUWEWNZQD-UHFFFAOYSA-N 316.405 1.198 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223483033 MQAFLABTLHMURF-ZETCQYMHSA-N 320.440 1.600 0 40 DDAB Cc1ccnc(-c2noc(C[C@@H]3CCCS(=O)(=O)C3)n2)n1 328856103 XFCDKYKABAHUHM-JTQLQIEISA-N 308.363 1.202 0 40 DDAB COCCn1cc(NC(=O)N[C@@H]2COc3ccccc3C2)cn1 47094097 UNGGAXJDDGFIBM-ZDUSSCGKSA-N 316.361 1.655 0 40 DDAB CCN(C)C[C@@H](O)CN1CCC(Oc2ccncc2C)CC1 570813451 OTLOWTRRARUICN-OAHLLOKOSA-N 307.438 1.546 0 40 DDAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccco2)CC1 85468076 IPXMAYWLNQAHMZ-CQSZACIVSA-N 305.422 1.768 0 40 DDAB CCOc1cccc2c1CC[C@H]2NC(=O)NCc1ncnn1C 96439809 KMSVPZQJACTSMK-CYBMUJFWSA-N 315.377 1.701 0 40 DDAB O=C(NCc1ccc(Cn2cccn2)cc1)NCC1(O)CCC1 95399581 GWJPCIMPVUWYOZ-UHFFFAOYSA-N 314.389 1.646 0 40 DDAB CCN(CC)[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]2CCCO[C@@H]21 97953432 WFRWAXLIHRJGLY-BBWFWOEESA-N 306.454 1.741 0 40 DDAB CCn1nnnc1-c1cccc(NCCCS(C)(=O)=O)c1 96476397 LMKAWISSZHBFBX-UHFFFAOYSA-N 309.395 1.207 0 40 DDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1 96041015 JZLFVIGFEHWLGX-BPUTZDHNSA-N 301.390 1.340 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)no1 96200912 VWANFTZNOAPGSQ-CABCVRRESA-N 317.393 1.104 0 40 DDAB Cc1cc(C)c(C(=O)OCc2ncn(-c3ccccc3)n2)c(=O)[nH]1 97238425 GXBIQTRQYKQPGN-UHFFFAOYSA-N 324.340 1.929 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C 339696639 MMDWTSCELFCTDB-HNNXBMFYSA-N 303.406 1.212 0 40 DDAB CN(C)c1cc(C(=O)NC[C@H](O)c2ccccc2F)ccn1 96445835 OLKCGMAMMYIPSS-AWEZNQCLSA-N 303.337 1.750 0 40 DDAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 96048585 LQOHZPPQJKHWBY-RHSMWYFYSA-N 312.373 1.915 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H](N2CCOCC2)C[C@@H]1C(=O)O 96092620 QDRVHOXUNOEZEE-UKRRQHHQSA-N 323.393 1.041 0 40 DDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCN(C(=O)CC4CC4)C3)C2)nn1 96219572 VLLFNHNZKUKHDG-YOEHRIQHSA-N 316.405 1.757 0 40 DDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccs1)CC[C@H]2OC 96108547 RYQNULXWJKGVBH-BFHYXJOUSA-N 324.446 1.556 0 40 DDAB CO[C@@H]1CCN(C(=O)Cc2ccco2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108569 GYHVSEXRJBFIHV-GVDBMIGSSA-N 318.417 1.780 0 40 DDAB C[C@H]1C[C@@H]1N1C[C@H](NC(=O)COc2ccccc2F)CC1=O 96432037 KRAQTSQHVKGKBO-LOWVWBTDSA-N 306.337 1.330 0 40 DDAB CCNC(=O)N[C@@H]1CN(CCc2scnc2C)C[C@@H]1OC 95399445 QDRRURIKJOISIQ-NEPJUHHUSA-N 312.439 1.012 0 40 DDAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(C1CCC1)C2 248157408 WCIFRUDDWVZTAB-AWEZNQCLSA-N 317.433 1.788 0 40 DDAB CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 242495727 GOFMPXOHXQZUAS-BFHYXJOUSA-N 301.383 1.318 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](Cc1cccnc1)C2 257238289 HKINMKBIMAUDQO-CQSZACIVSA-N 310.419 1.455 0 40 DDAB COc1cccc(S(=O)(=O)N2CC[C@H]3NCCCC[C@H]3C2)c1 257234009 GRRRCUNSBWULPR-XJKSGUPXSA-N 324.446 1.848 0 40 DDAB NC(=O)CN1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 257271375 MYAIMMGZGOZNEP-ZDUSSCGKSA-N 312.377 1.280 0 40 DDAB CCS(=O)(=O)N1CCCC[C@@H]1c1cc(O)n2nc(C)cc2n1 257252435 JUTSBQYUKAUKMR-GFCCVEGCSA-N 324.406 1.620 0 40 DDAB COc1cc(C(=O)NCCn2ccc3ccoc3c2=O)ccn1 253471413 COHBXOJPPUWFHU-UHFFFAOYSA-N 313.313 1.428 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@@H]2c2ccncn2)on1 257292676 QMNFUZUJKINIOR-CYBMUJFWSA-N 302.334 1.770 0 40 DDAB CN1CCC(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)CC1 257208544 BMPFXLYYEGXHOS-QGZVFWFLSA-N 301.434 1.844 0 40 DDAB CS(=O)(=O)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257287493 PQFJNKBOIOQZPH-CQSZACIVSA-N 310.419 1.364 0 40 DDAB Cc1ccc(C[C@H](CO)N=c2ccc(C(=O)O)n[nH]2)cc1C 571884366 RAOJYQZZDQTPQT-CYBMUJFWSA-N 301.346 1.229 0 40 DDAB O=C(NCCc1c[nH]c2ccccc12)N[C@H]1C=CS(=O)(=O)C1 575422175 NBEMNWJUYXHDTI-LBPRGKRZSA-N 319.386 1.320 0 40 DDAB Cn1nccc1CN1CCC[C@](O)(COc2cccc(F)c2)C1 585269320 PBZKSINUXJHIKE-QGZVFWFLSA-N 319.380 1.965 0 40 DDAB CC[C@H](NC(=O)NCC(=O)NCC(C)C)c1nc(C)cs1 71856666 DMSRWUBOSVUEGD-NSHDSACASA-N 312.439 1.974 0 40 DDAB COc1ccc(C2(C(=O)N[C@H]3CCCNC3=O)CCCC2)cc1 50634163 QUAUSTSHRSEJND-HNNXBMFYSA-N 316.401 1.902 0 40 DDAB CN(Cc1cccc(Cl)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 54417727 HUJBCWHVBLOWHZ-UHFFFAOYSA-N 317.780 1.942 0 40 DDAB Cc1cnc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cn1 73950582 PFALTRQAJVUYOY-DGCLKSJQSA-N 310.357 1.793 0 40 DDAB O=C1NCCCC[C@@H]1NC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62407020 JZKQWJLUJLKLGO-DXGYCSDQSA-N 305.422 1.875 0 40 DDAB CCCn1c(C)c(C(=O)N[C@H](C)C(N)=O)c2cc(OC)ccc21 78244824 UWFJKPZRMBGYMN-SNVBAGLBSA-N 317.389 1.972 0 40 DDAB CC(C)C1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 516786765 FMWPYTVNMBRMHT-CVSAEHQPSA-N 322.453 1.155 0 40 DDAB C[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)CN1CCCC1 101385729 UCCIGPJBAHWHOJ-JKSUJKDBSA-N 306.454 1.374 0 40 DDAB O=C(NCc1cc(-c2ccccc2)on1)[C@H]1CCS(=O)(=O)C1 102645431 RXXKKUSYDQFWJK-LBPRGKRZSA-N 320.370 1.393 0 40 DDAB COCc1nc(Cn2cncc(Br)c2=O)cs1 95414757 RAKCLKAACUVVEM-UHFFFAOYSA-N 316.180 1.657 0 40 DDAB CCOC(=O)c1cn([C@H]2CCC[C@@]3(CCCCOC3)[C@@H]2O)nn1 1547139893 RILZUMABIDLQET-SQWLQELKSA-N 323.393 1.728 0 40 DDAB Cc1cc(N2CC(Cn3cc(Br)cn3)C2)ncn1 1889081522 SBTBDGXGFWVICW-UHFFFAOYSA-N 308.183 1.880 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccn2C)CC1 11695621 UYGQNTUHZYENSV-CQSZACIVSA-N 314.389 1.536 0 40 DDAB CS(=O)(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1 12443553 JVYKAPBPGWCEMF-UHFFFAOYSA-N 324.431 1.287 0 40 DDAB COc1ccc(NC(=O)Nc2c(C)nc3ncnn3c2O)cc1 15777632 YBUHMXZETLOJID-UHFFFAOYSA-N 314.305 1.791 0 40 DDAB CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 19946129 WIAHCWNPAHBYTH-UHFFFAOYSA-N 318.398 1.936 0 40 DDAB O=C1c2ccccc2C(=O)N1CCN1C(=O)COc2ccccc21 19993703 WQFTUNWNQBLWKP-UHFFFAOYSA-N 322.320 1.708 0 40 DDAB CC(C)(CO)NC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 5194645 BUKZQTHJJJBTMA-LLVKDONJSA-N 309.341 1.001 0 40 DDAB COc1cc(C)c(S(=O)(=O)N(C)C2CCNCC2)c(C)c1 36300001 KEFYIKRJMHGEJD-UHFFFAOYSA-N 312.435 1.685 0 40 DDAB COc1ccccc1CNC(=O)COC(=O)c1cccn1C 3512119 BCSPGQJTWTYSNY-UHFFFAOYSA-N 302.330 1.507 0 40 DDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(C)nc2ccccc12 4240148 TXFKWIFRLUACOZ-QMMMGPOBSA-N 304.375 1.874 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)CCc1n[nH]c(=S)[nH]c1=O 11257888 IURKCSSAPWSTOP-SNVBAGLBSA-N 318.402 1.946 0 40 DDAB C[C@@H](C(=O)O)N(C)C[C@H](O)c1ccccc1Br 819889075 KJAKVAGYEIKEOX-KWQFWETISA-N 302.168 1.887 0 40 DDAB NC(=O)Cc1csc(NC(=O)c2ncnc3c2CCCC3)n1 1888844660 WLCGYNOIKVUQCX-UHFFFAOYSA-N 317.374 1.092 0 40 DDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccccc1 24439884 SVLVYHHOCIVAMU-UHFFFAOYSA-N 318.398 1.536 0 40 DDAB CN(C1CCCCC1)S(=O)(=O)NCC1(N)CCCCC1 36266659 WOHJJIIVDVHRLO-UHFFFAOYSA-N 303.472 1.747 0 40 DDAB Cc1nc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cs1 2037980863 KOVIXOZSXGAKKO-HNNXBMFYSA-N 309.435 1.665 0 40 DDAB Cc1cccnc1C(=O)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056224473 JUFJKZIEKAUKJG-GJZGRUSLSA-N 301.390 1.325 0 40 DDAB COc1ccc(CN2CCN(c3nc(C)ns3)C[C@H]2C)cn1 2086903802 JKRZYJWLTAXKJY-LLVKDONJSA-N 319.434 1.961 0 40 DDAB COc1cccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c1 2710421 VHNOYTKZQSLVBB-CQSZACIVSA-N 318.329 1.860 0 40 DDAB CCCc1cc(=O)[nH]c2nnc(S[C@@H](CC)C(=O)OC)n12 4250275 KWKMZPSPLQXYDA-VIFPVBQESA-N 310.379 1.414 0 40 DDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Cl)CC(=O)N2 4502176 YNYKFJKTZNTHBF-SECBINFHSA-N 319.748 1.212 0 40 DDAB aggregator NC(=O)c1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1 8874089 IUTMITRXZXZMKF-UHFFFAOYSA-N 315.310 1.601 0 40 DDAB CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]1O2 2055739455 ZXRCAPIZOMNWSN-RWMBFGLXSA-N 308.765 1.316 0 40 DDAB CC(C)Cn1ccn(-c2ccc3c(c2)OCCO3)c(=O)c1=O 22725989 OWPCUCCCETWMKA-UHFFFAOYSA-N 302.330 1.426 0 40 DDAB Cc1ccc(NC(=O)NCCCn2ncccc2=O)cc1F 23241913 VCWMHCHZPCPZTL-UHFFFAOYSA-N 304.325 1.903 0 40 DDAB O=C(Cc1csc(-c2ccco2)n1)NCCN1CCOCC1 40493318 SXUMEEDKHPEKCC-UHFFFAOYSA-N 321.402 1.394 0 40 DDAB CNC(=O)CNc1ccccc1C(=O)NCCc1ccccc1 40466128 XIBPNFSSJJTUGZ-UHFFFAOYSA-N 311.385 1.817 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCO1 40501769 SKBZRFOIAJYJKS-YGRLFVJLSA-N 324.402 1.417 0 40 DDAB CCN(CC(=O)N(C)C)C(=O)CCCOCc1ccccc1 51343691 JNPAUQOABVOOLS-UHFFFAOYSA-N 306.406 1.920 0 40 DDAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1Cn1cccn1 20606346 AIOBZKASUSSCOZ-JSGCOSHPSA-N 319.386 1.728 0 40 DDAB O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCOCC1 32481549 MJIBXOPBQPXIJL-UHFFFAOYSA-N 309.797 1.810 0 40 DDAB O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCOCC1 32751473 VRJBIUHNNIDRQQ-MRXNPFEDSA-N 304.390 1.043 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 32828538 IFEOAAAEEWDBBP-UPJWGTAASA-N 322.453 1.193 0 40 DDAB C[C@@H](C(=O)NCCc1ccccc1C(F)(F)F)S(C)(=O)=O 53233840 CXXFTWQLWLMWEB-VIFPVBQESA-N 323.336 1.797 0 40 DDAB NC(=O)[C@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 41793345 VQWNBSUJXKCFLF-HZPDHXFCSA-N 323.352 1.522 0 40 DDAB C[C@H](C(=O)NC1CCCC1)N1CCC(C(=O)N2CCCC2)CC1 53846017 OZHYNWNFKOPDGL-CQSZACIVSA-N 321.465 1.768 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 146348 PMOFALUJKMNKQL-UHFFFAOYSA-N 311.407 1.149 0 40 DDAB O=C(NC1CC1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 78954176 NTIDTMHPTVNLMQ-GDBMZVCRSA-N 303.406 1.331 0 40 DDAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1n[nH]c(=O)[nH]1 79028559 PHBYLQRCXKHGTF-LLVKDONJSA-N 322.340 1.461 0 40 DDAB COC(=O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C 3010494 JPMNNMZMIYCVGZ-DZGCQCFKSA-N 317.389 1.352 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2CCS3)cc1 24979698 PUYVFVXWRUTZSX-OAHLLOKOSA-N 304.371 1.893 0 40 DDAB CSc1ccc(-c2nnnn2[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)cc1 4127345 RUFAIAXJOQYVIR-JKOKRWQUSA-N 318.358 1.317 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCc1cccc(Cl)c1 4891894 FMBYMQRKBYIBDA-RFGFWPKPSA-N 321.760 1.653 0 40 DDAB C[C@@H](CO)NC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983897 GBUZAKCOYYUDDT-GQVHDAKQSA-N 313.357 1.283 0 40 DDAB CN1CC[C@H](CNC(=O)Nc2ccccc2O[C@H]2CCOC2)C1 108479925 CBDNRYQIAJAAHD-KGLIPLIRSA-N 319.405 1.928 0 40 DDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1C 44456957 ZTYNFYZSBIZIEW-GFCCVEGCSA-N 317.432 1.016 0 40 DDAB CON(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 36037382 GOMYOIWMAJNUIW-ZDUSSCGKSA-N 312.391 1.250 0 40 DDAB O=C(c1cc(Br)cnc1Cl)N1CCOCC1 50044010 IYLKJMNTPVGMMO-UHFFFAOYSA-N 305.559 1.970 0 40 DDAB CCOC(=O)c1ccc(NCc2ccc(-n3cncn3)nc2)nc1 58202710 MSQNDCIOWXENRN-UHFFFAOYSA-N 324.344 1.846 0 40 DDAB c1cc2n(n1)C[C@@H](CNCc1ccc(OCC3CC3)nc1)CN2 58299844 KAWCWHGGKIMXLX-HNNXBMFYSA-N 313.405 1.898 0 40 DDAB CCCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1 58290015 CGPLFWCNXIQBMV-UHFFFAOYSA-N 319.409 1.591 0 40 DDAB COc1ccc(OCCN(C)C(=O)[C@@H](C)n2cncn2)cc1 44908848 CDIGRGFHVBRTOP-GFCCVEGCSA-N 304.350 1.385 0 40 DDAB CN(C)c1ncccc1CNc1ncc(C(N)=O)cc1Cl 44978751 AJIKWXJJRJVFSV-UHFFFAOYSA-N 305.769 1.907 0 40 DDAB O=C(c1sccc1-n1cnnn1)N1CCc2ccccc2C1 44917118 KAPQSQRKYRVDJM-UHFFFAOYSA-N 311.370 1.922 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)C1 44910667 SOCBWMOUTZXPRC-STQMWFEESA-N 315.439 1.449 0 40 DDAB O=C(NCCNc1ncc(Cl)cc1Cl)N1CCOCC1 44970558 UNPAEYHHKHQWIL-UHFFFAOYSA-N 319.192 1.842 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)Nc2cc(C)on2)nc1 58439532 DPUUARIGUAZYNX-UHFFFAOYSA-N 303.322 1.837 0 40 DDAB O=C(NC[C@]1(O)CCOC1)c1sccc1Br 95438502 MJJUFWZDIKUGPO-SNVBAGLBSA-N 306.181 1.392 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 36575916 ZIPIOZREBRPGEG-BMIGLBTASA-N 316.357 1.846 0 40 DDAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCN1CCOCC1 20112425 UYOTYQRZENRGKP-MRXNPFEDSA-N 320.433 1.909 0 40 DDAB O=C(CCCn1c(=O)oc2ccccc21)NC1=NCCS1 36724707 BZEOKIIXLHYXOB-UHFFFAOYSA-N 305.359 1.594 0 40 DDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc2c(c1)OCO2 29259704 GGZQTOPLCNJALO-UHFFFAOYSA-N 312.325 1.786 0 40 DDAB COc1ccnc(NCc2cccc(NS(C)(=O)=O)c2)n1 11607620 HJCMTZZQKNJYLB-UHFFFAOYSA-N 308.363 1.469 0 40 DDAB COc1ccnc(N2CCN(Cc3c(C)noc3C)CC2)n1 29585927 ZKNUDUHTFAYETJ-UHFFFAOYSA-N 303.366 1.412 0 40 DDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107263666 UQNYZZPTGGKKCH-HRCADAONSA-N 301.390 1.197 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCCCC1 57219549 GVSWBUHCOMZSSY-CYBMUJFWSA-N 320.437 1.487 0 40 DDAB CS[C@@H](C)C(=O)NCc1ccccc1CN1CCN(C)CC1 48227564 RQGSXBFNQPLDRR-AWEZNQCLSA-N 321.490 1.802 0 40 DDAB CCN1CCN(C[C@H](O)COCC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 104492676 BMYHXPQLWZZPDW-TVFCKZIOSA-N 310.482 1.828 0 40 DDAB COC(=O)[C@]12CN=N[C@]1(C(=O)OC)[C@H]1[C@@H]3[C@H]4[C@H]5C=C[C@H]4[C@@H]1[C@H]5[C@@H]32 104287317 MIVOYEFKTASFLI-XSNGWRMSSA-N 314.341 1.077 0 40 DDAB C[C@@H](OC(=O)c1cnn(C)c1)C(=O)N1c2ccccc2C[C@H]1C 12850664 SCWLNQLJIJRMGB-VXGBXAGGSA-N 313.357 1.943 0 40 DDAB CNS(=O)(=O)c1cc(NC(=O)c2ccccc2O)ccc1C 12864301 YPUBIYKVRTWWIO-UHFFFAOYSA-N 320.370 1.861 0 40 DDAB COc1cc(C(=O)N[C@H](C)[C@H](CO)SC)cc(OC)c1C 95426688 KJMAEVBGOSVVHP-YGRLFVJLSA-N 313.419 1.854 0 40 DDAB CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 49376477 UEBXGXXSLOHABK-UHFFFAOYSA-N 320.461 1.235 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)N1CC[C@H]([C@@H](C)O)C1 96010899 ZZCIPSZNPDECIV-CABCVRRESA-N 321.421 1.349 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[C@H](C)O 96011067 FEYZTXYFQQENSC-RYUDHWBXSA-N 308.378 1.091 0 40 DDAB CN(C)C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 306138032 RNEXXIXVLJQDCF-CYBMUJFWSA-N 314.451 1.671 0 40 DDAB C[C@@]1(NC(=S)Nc2cccc(O)c2)CCS(=O)(=O)C1 5024907 XZMRMYIOMHPPHH-GFCCVEGCSA-N 300.405 1.256 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1COc2ccccc2O1 4275772 CKZCYKPVPXGUCC-NSHDSACASA-N 304.327 1.626 0 40 DDAB CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 65488418 MBJWRPWMONEEMS-GFCCVEGCSA-N 312.435 1.898 0 40 DDAB O=C(CCN1CCOC1=O)Nc1ccc(-n2ccnc2)nc1 65634252 PVKSBWIVHBEGNU-UHFFFAOYSA-N 301.306 1.048 0 40 DDAB Cc1cc(N)n(-c2cc(N[C@@H](C)c3cn(C)nc3C)ncn2)n1 98013298 NFOUQYWDIUDVAD-JTQLQIEISA-N 312.381 1.768 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2noc3c2CCCCC3)CC1 6999989 LCILCFNJBDSRJY-UHFFFAOYSA-N 321.377 1.858 0 40 DDAB Cc1cc(NC(=O)CCn2cncn2)nn1-c1cccc(F)c1 95989221 MAOUYVMUXMSDOF-UHFFFAOYSA-N 314.324 1.940 0 40 DDAB C[C@H](C(=O)Nc1cc(C(F)(F)F)n[nH]1)N1CCSCC1 95979114 ZEVVKPYQJMPBIU-SSDOTTSWSA-N 308.329 1.804 0 40 DDAB CC(=O)N1CCC(C(=O)NCCOc2cccc(C)c2)CC1 8132426 ONIKBQVFHLWJMD-UHFFFAOYSA-N 304.390 1.749 0 40 DDAB CCO[C@H]1C[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 71818925 SEHWIDGNBAOHQG-OLZOCXBDSA-N 304.394 1.355 0 40 DDAB Cc1ccc(CCNC(=O)N2CCC(C(N)=O)CC2)c(C)c1 71831080 AYQXCBYHENQFKF-UHFFFAOYSA-N 303.406 1.753 0 40 DDAB Cc1nc(CN2CCCN(c3ncnc4c3CCC4)CC2)no1 71859550 UOBHVEUXQWMWIN-UHFFFAOYSA-N 314.393 1.369 0 40 DDAB O=C(c1cccnc1-n1cccn1)N1CCN2CCCC[C@H]2C1 71839839 ZOCZETGQGMENHE-AWEZNQCLSA-N 311.389 1.578 0 40 DDAB CC(C)c1nc2c(n1C)CCN(CC(=O)Nc1nncs1)C2 69493477 FPIOPTQWFUTLMU-UHFFFAOYSA-N 320.422 1.392 0 40 DDAB COC(=O)c1ccc(/C=C/C(=O)NCCc2nccn2C)cc1 69570603 XBYZFIYGQIGVRR-VMPITWQZSA-N 313.357 1.579 0 40 DDAB CCOC(=O)c1cnc(N2CCC(NC3CC3)CC2)nc1C 95993862 DDLSRNXRBVNNGQ-UHFFFAOYSA-N 304.394 1.683 0 40 DDAB Cc1nc(CSCC(=O)NCC(C)(C)C(=O)O)cs1 95970743 GDRBMUJLKBPLJA-UHFFFAOYSA-N 302.421 1.912 0 40 DDAB COc1ccc(C(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 8503768 ZLOJTXVLLCAVMW-UHFFFAOYSA-N 305.359 1.890 0 40 DDAB C[C@H]1CN(C(=O)c2ccccn2)[C@@H](C)CN1C(=O)c1ccccn1 71921218 HKLQVMRXWOHYLL-KBPBESRZSA-N 324.384 1.852 0 40 DDAB CC(C)(C)c1nc(CNC(=O)N2CCC(C(N)=O)CC2)cs1 69975728 FMPBBTDDNYSJNI-UHFFFAOYSA-N 324.450 1.848 0 40 DDAB COc1ccc([C@H](CNc2ccc3nnnn3n2)N(C)C)cc1 8735506 SBGHPZXQEYYDPJ-ZDUSSCGKSA-N 313.365 1.243 0 40 DDAB CC1CCN(c2nnc(S[C@@H](C)C(N)=O)n2C2CC2)CC1 8734140 ULQVOBRAHLXEIZ-JTQLQIEISA-N 309.439 1.815 0 40 DDAB CCN(CC)CCNS(=O)(=O)c1cc(C)c(OC)cc1C 96996791 JLBPCZBXTYZAHV-UHFFFAOYSA-N 314.451 1.932 0 40 DDAB COC(=O)[C@@]12CCC[C@H]1CN(C(=O)Cc1c(C)noc1C)C2 97082928 OXDSNVYQZDTCHO-BLLLJJGKSA-N 306.362 1.636 0 40 DDAB O=C(NC1CCN(c2nccn3cnnc23)CC1)c1ccccc1 72289793 CYZIPOALYVQTNH-UHFFFAOYSA-N 322.372 1.523 0 40 DDAB O=C(c1cc2ccccc2[nH]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269066 KBWWEZOFSPPOTF-IAGOWNOFSA-N 313.401 1.839 0 40 DDAB CN(C)[C@H]1CCC[C@@H]1NC(=O)CNC(=O)/C=C/c1ccccc1 72304236 GKCPWLCZHXSSAJ-WFPWZJHXSA-N 315.417 1.415 0 40 DDAB O=C(CN1CCCS1(=O)=O)N1CCC[C@@H]1C1CCCCC1 84543919 SYSZLBPOAMPWGX-CQSZACIVSA-N 314.451 1.593 0 40 DDAB COc1c(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c(C)nn1C 89512504 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C[C@H](C1CC1)N(C(=O)COc1ccc(CC(N)=O)cc1)C1CC1 124575071 NVJYEEFILGILCT-GFCCVEGCSA-N 316.401 1.883 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)O)C2)c(C)c1F 567464175 IYINZTGZYGQWCM-KYZUINATSA-N 317.338 1.284 0 40 DDAB CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cccs1 226602296 XJRVEGAXABEXEL-SUNKGSAMSA-N 308.403 1.563 0 40 DDAB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncc2c(F)cccn12 528813855 DAGCZZWZHLCFDA-MFKMUULPSA-N 302.353 1.686 0 40 DDAB COC(=O)c1cc(NC(=O)NCCn2ccnc2)c(F)cc1F 193172134 ODMFPKAKVLYOBK-UHFFFAOYSA-N 324.287 1.770 0 40 DDAB CN1CCN([C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)CC1 225146730 OKMCGCPXAYBYSU-CYBMUJFWSA-N 316.323 1.949 0 40 DDAB O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1cscn1 193439732 ZXGQLHBMSZMFEY-UHFFFAOYSA-N 324.427 1.740 0 40 DDAB Cc1ccccc1-c1noc(=O)n1CCN1CCO[C@@H](C)C1 332009762 ZJIBQDMSAAKNFK-ZDUSSCGKSA-N 303.362 1.532 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(Cc1ccoc1)CC2 96058947 TVFALUXAOJKRLN-UHFFFAOYSA-N 303.410 1.770 0 40 DDAB O=C([C@H]1C[C@@H]2CN(Cc3cccnc3)C[C@H]1O2)N1CCCC1 96253168 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COc1cc(CCC(=O)N2CCC[C@@H](c3ccncn3)C2)on1 257275030 NNRAWDMUSZYXLH-GFCCVEGCSA-N 316.361 1.812 0 40 DDAB Cc1c[nH]c([C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 257292799 QMZAOKKZGAAKIW-CQSZACIVSA-N 321.402 1.621 0 40 DDAB O=C(NCc1cn(-c2ccccc2C(=O)O)cn1)c1cnccn1 257293326 QPADYRAPOVKBJE-UHFFFAOYSA-N 323.312 1.291 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)n1cc(COc2ccccc2)nn1 257173727 VSAMKFLNMZLEEQ-ZDUSSCGKSA-N 316.361 1.277 0 40 DDAB CN(C)Cc1cccc(NC(=O)NCc2nc(N(C)C)no2)c1 252481880 CUMZYKJFTRWGNN-UHFFFAOYSA-N 318.381 1.519 0 40 DDAB Cc1ncsc1CN1CCC[C@]1(C(N)=O)c1cnccn1 257290101 QBPOKEWRUTVVEX-CQSZACIVSA-N 303.391 1.218 0 40 DDAB CCNC(=O)c1cc(C2(C)CCN(C(C)=O)CC2)nc(C)n1 257273327 NGDDHFBKRLYLPT-UHFFFAOYSA-N 304.394 1.435 0 40 DDAB O=C(c1ccc2[nH]cnc2c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257262415 LLHQOYWKPCSEBZ-IAGOWNOFSA-N 323.352 1.827 0 40 DDAB Cc1cnc(C(=O)N2CCC[C@@]2(C)c2nc(C)cc(O)n2)cn1 257217815 DATCWNVCQIVVOX-INIZCTEOSA-N 313.361 1.740 0 40 DDAB CCN1CCCC[C@@H]1CNc1ccccc1S(=O)(=O)NC 585142255 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CC[C@@H]1CN(C(=O)C2CC2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594818 YNBJXLTWRCZCTP-MWQQHZPXSA-N 324.465 1.353 0 40 DDAB CNc1nc(C(N)=O)c(NC(=O)c2ccc(C)c(F)c2)s1 12462333 LWOWNYILAUJUMW-UHFFFAOYSA-N 308.338 1.984 0 40 DDAB O=C(Cc1ccccc1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19370294 WMZAUUXNPFVNNM-OAHLLOKOSA-N 322.412 1.681 0 40 DDAB CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 19590002 HRZUMFNOGMWPAN-UHFFFAOYSA-N 301.312 1.891 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)C(C)C)nc2c1CC(=O)N2C 19739907 NLEZKUYZFKOKCH-LBPRGKRZSA-N 302.378 1.623 0 40 DDAB O=C(O)CN(C(=O)COc1ccccc1F)C1CCOCC1 532258169 XTHFTSCZYNZJBO-UHFFFAOYSA-N 311.309 1.297 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 220276 MVEGIRIQRMNTDL-TZMCWYRMSA-N 304.390 1.958 0 40 DDAB O=C1NC(=O)[C@]2(CCN(c3nc4c(F)cc(F)cc4s3)C2)N1 1888866554 JVHOSRYRUCSNMN-CYBMUJFWSA-N 324.312 1.363 0 40 DDAB O=C(c1c[nH]c(=O)[nH]1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 238868402 MHQVEBQHKFNDBA-GFCCVEGCSA-N 324.340 1.545 0 40 DDAB O=C(c1ccns1)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224823 XOXIGVIWPNFTLD-NSHDSACASA-N 309.460 1.939 0 40 DDAB O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@@]21C(=O)NC1CCC1 2056225421 VMDMXJBQBPYTSI-ZBEGNZNMSA-N 303.337 1.494 0 40 DDAB COc1cc(C(=O)N2C[C@H]3C(=O)N(CC4CC4)CC[C@H]3C2)on1 1565549973 LOWGCZLOULHFGS-NWDGAFQWSA-N 319.361 1.014 0 40 DDAB Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)nc(C)n1 2086889124 CCZUTVBZKDPMRQ-ZDUSSCGKSA-N 324.450 1.486 0 40 DDAB Cc1ccnc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086887020 QKJGKGKGCGQGIE-GFCCVEGCSA-N 310.423 1.178 0 40 DDAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cc[nH]n1 225754071 SBVIJMPEEOZUNT-UHFFFAOYSA-N 300.366 1.409 0 40 DDAB Cc1cc(CN2CCC(C(=O)N3CCSCC3)CC2)on1 2298187927 NGKDMCSMVCGGLK-UHFFFAOYSA-N 309.435 1.770 0 40 DDAB Cn1cc(-c2cc(C(F)F)n3nc(CCC(=O)O)nc3n2)cn1 20104067 VAJOBSVZHAFTQD-UHFFFAOYSA-N 322.275 1.480 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccc(Cl)cc1 40286558 QPXYFDLDMOPBOZ-UHFFFAOYSA-N 320.780 1.945 0 40 DDAB Cc1cc(CN(C)C(=O)c2cccc3c2O[C@H](C)C(=O)N3)no1 104247187 GJQZXCXZIJAOLA-SNVBAGLBSA-N 315.329 1.975 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)Cn1ncc(=O)c2ccccc21 104721929 PAKZEOBSHWGUHO-LVZFUZTISA-N 322.368 1.848 0 40 DDAB CC(=O)N[C@H](CC(=O)N[C@@H](C)Cn1ccnc1)c1cccs1 42533396 ATAVXJHXFRQUJY-WCQYABFASA-N 320.418 1.717 0 40 DDAB COc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 211304 KMUZETXBCAOLCI-UHFFFAOYSA-N 303.343 1.610 0 40 DDAB CC(C)Oc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cn1 42876513 KRHCZQJBLAPORM-OAHLLOKOSA-N 313.357 1.825 0 40 DDAB COc1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 780439 NKOOWCRCDUEGNN-UHFFFAOYSA-N 302.374 1.826 0 40 DDAB Cn1cc(CCNC(=O)N[C@@H]2CCOc3ccccc32)cn1 43165166 WNTGMXKPQRMWBU-CQSZACIVSA-N 300.362 1.786 0 40 DDAB COc1ccc2nnc(CCC(=O)NCCc3ccco3)n2n1 79474937 YJQRWAXBMBVGLI-UHFFFAOYSA-N 315.333 1.017 0 40 DDAB OCCN[C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccccc1 1593690 CPENJQYCUCOIAE-DLBZAZTESA-N 301.342 1.772 0 40 DDAB O=C(CCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 79630376 ABDOTKMVJBNWCE-UHFFFAOYSA-N 315.295 1.709 0 40 DDAB Cc1nnc(NC(=O)NCCc2ccc3c(c2)OCO3)s1 43408824 REFBMLGPLYKSOB-UHFFFAOYSA-N 306.347 1.939 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)c1 4318902 MZARILAIICLZPT-UKRRQHHQSA-N 320.389 1.854 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 6699558 MFNGQGUIVNUSNV-WVWOOGAGSA-N 321.329 1.521 0 40 DDAB CCOC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 7059633 HPZNIJALGWBMPO-UHFFFAOYSA-N 320.370 1.737 0 40 DDAB C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CC1 25772421 JPKMDSAQIALPBU-BMIGLBTASA-N 314.389 1.662 0 40 DDAB COc1cc(C(=O)OCC(=O)NCC(C)C)cc2c1OCCO2 7939175 YIVCCGQYHOIKEI-UHFFFAOYSA-N 323.345 1.395 0 40 DDAB C[C@H](C(=O)N1CCCCC1)N1CCN(c2ccc(O)cc2)CC1 57024309 YXMKVEDNIQXIQE-OAHLLOKOSA-N 317.433 1.915 0 40 DDAB CN1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1=O 44265351 REXLJKIQBJMFEF-CVEARBPZSA-N 315.417 1.246 0 40 DDAB COC(=O)[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC1 26891887 YABNUFSIMVNVNV-CYBMUJFWSA-N 305.378 1.075 0 40 DDAB Cc1ccc(C(N)=O)cc1Nc1nc(N)nc2c1nc(C)n2C 57279205 GWOYCGDIGGDTCS-UHFFFAOYSA-N 311.349 1.405 0 40 DDAB COC(=O)[C@@](NNc1ccccc1C)(NC(C)=O)C(F)(F)F 2050530 COPBSAATJQNBBG-LBPRGKRZSA-N 319.283 1.479 0 40 DDAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCc2nccn2C1 97197848 LJVDCALHXBSXTO-CYBMUJFWSA-N 309.373 1.672 0 40 DDAB COc1ccccc1[C@H](NC(=O)[C@@H]1CCCO1)c1nccn1C 44890349 BNHKDBRGAAABOQ-GJZGRUSLSA-N 315.373 1.813 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1ncc(-c2ccccc2)o1 58295019 NGDQOBAYRASBKP-UHFFFAOYSA-N 321.296 1.997 0 40 DDAB O=C(O)[C@@H]1CC(=O)N(Cc2cccc(N3CCCC3=O)c2)C1 44979112 LYUOJEZIPLTRGM-GFCCVEGCSA-N 302.330 1.247 0 40 DDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(C)cc4)C(=O)[C@H]13)O2 100634587 FFWORHUJCFCVGH-YRBFXIGRSA-N 313.353 1.845 0 40 DDAB O=C([C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 28080887 PHTASQHXJZAOJW-QGZVFWFLSA-N 316.401 1.445 0 40 DDAB CC(=O)N(C)CC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58759871 NRYHDXXXMPHCTQ-UHFFFAOYSA-N 320.389 1.330 0 40 DDAB O=C1CC[C@H]2CN(C(=O)C3(O)CCCC3)CC[C@@H]2N1C1CC1 95450417 HRZYKNVYJWXTSE-JSGCOSHPSA-N 306.406 1.293 0 40 DDAB CN(C)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 12534313 MPWBIWXAZGWFQY-UHFFFAOYSA-N 309.373 1.768 0 40 DDAB Cc1noc2ncc(NS(=O)(=O)N3CCC[C@H](C)C3)cc12 72301066 BAANRPMXSNPDSD-VIFPVBQESA-N 310.379 1.920 0 40 DDAB CC(C)NC(=O)CCNC(=O)NCCOc1cccc(F)c1 45576532 TZQOLFYNHIAEFR-UHFFFAOYSA-N 311.357 1.418 0 40 DDAB CCCn1nnnc1Cn1nc(C)c([C@H](C)C(=O)OC)c1C 95431591 WSTGTUGOTOECJP-VIFPVBQESA-N 306.370 1.221 0 40 DDAB O=C(/C=C/C(=O)N1CCOCC1)N[C@H]1CCCc2ccccc21 2621372 SXYYVWOAVJHDJT-FDMDGMSGSA-N 314.385 1.595 0 40 DDAB CCN1CCN(C[C@@H](O)COCC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 104492682 BMYHXPQLWZZPDW-BRSBDYLESA-N 310.482 1.828 0 40 DDAB CCCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 27971494 SBZHDPOJVJAHOS-UHFFFAOYSA-N 308.363 1.193 0 40 DDAB CC(C)(CNC(=O)c1cnc2ccc(F)cc2c1)S(C)(=O)=O 95443171 HFARANGBNSGZJN-UHFFFAOYSA-N 324.377 1.927 0 40 DDAB O=S(=O)(NC[C@H]1CCCNC1)c1c(F)cc(F)cc1F 37908998 QHGOOQPVOOEPQE-QMMMGPOBSA-N 308.325 1.382 0 40 DDAB COc1ccc(C(=O)N(CC(=O)O)C2CC2)cc1OC(F)F 95424478 RYBSEWKAZJEYIE-UHFFFAOYSA-N 315.272 1.986 0 40 DDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)C(C)C 96010459 SAYXKUURULPAMH-UHFFFAOYSA-N 301.412 1.617 0 40 DDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 13267708 QCYIGVVBNSLJRX-ZDUSSCGKSA-N 309.387 1.661 0 40 DDAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(CC(N)=O)CC2)cc1 49390582 PWFUINALJGISHT-ZDUSSCGKSA-N 304.390 1.876 0 40 DDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1OC 6011582 BWMWQLZYGMTQBI-PBQZMEPESA-N 321.329 1.685 0 40 DDAB Cc1ccc(/C=C/CC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 84754582 VNTXUHXZGGVRAF-NHZBNJEXSA-N 316.401 1.762 0 40 DDAB CN(CC(N)=O)C(=O)COC(c1ccccc1)c1ccccc1 65462751 JUGRPVNBGQAUIH-UHFFFAOYSA-N 312.369 1.736 0 40 DDAB Cc1ccccc1-c1nnn(Cc2cc(=O)n3ccsc3n2)n1 5326836 YKQJOVWRHRRDTG-UHFFFAOYSA-N 324.369 1.766 0 40 DDAB C[C@@H](CC(=O)O)CC(=O)N1CCN(c2ccc(F)cc2)CC1 4682698 VYKCNKPREQROIX-GFCCVEGCSA-N 308.353 1.975 0 40 DDAB Cc1c(C)n(Cc2ccncc2)c2ncn(CCN(C)C)c(=N)c12 9419335 OEXVJGXGWXQUPH-UHFFFAOYSA-N 324.432 1.939 0 40 DDAB CCN(CC(=O)NCc1cccs1)C(=O)C1=COCCO1 6784722 UGUCTKMZSXLFPT-UHFFFAOYSA-N 310.375 1.101 0 40 DDAB O[C@@H](COCc1cccs1)Cn1nnnc1-c1ccccn1 66738473 XLNFKOXTFLWWQR-LLVKDONJSA-N 317.374 1.374 0 40 DDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)N(C)Cc2ccco2)c1 21623357 DAYMVLMAVJCYNV-UHFFFAOYSA-N 304.302 1.626 0 40 DDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 6824021 ARDWFSVWNWAFHT-SNVBAGLBSA-N 314.407 1.277 0 40 DDAB Cc1noc(C)c1CCN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O 95454028 YMEYKQUIFJWEHD-OAHLLOKOSA-N 317.349 1.035 0 40 DDAB CNS(=O)(=O)c1cccc(CNCc2ccccc2OC)c1 66988935 FFDKGCAPFSYRGU-UHFFFAOYSA-N 320.414 1.893 0 40 DDAB CC(C)(C)OC(=O)N1CCC(O)(CNC[C@@H]2CCCO2)CC1 95725644 QMIVLNMFESBERW-ZDUSSCGKSA-N 314.426 1.517 0 40 DDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(=O)[nH]c1 71834919 OJIXTZNMYHYBMA-GFCCVEGCSA-N 323.356 1.789 0 40 DDAB Cc1ccc(N2CCCC2)c(C(=O)N2CCC(C(N)=O)CC2)c1 71909644 UUMURPDJSCGYQI-UHFFFAOYSA-N 315.417 1.933 0 40 DDAB Cn1c(=O)/c(=C/c2ccsc2)s/c1=C/C(=O)C(C)(C)C 96759240 XOILNPOIWOHYPH-JKNYEHFOSA-N 307.440 1.733 0 40 DDAB CC(C)[C@H](NC(N)=O)C(=O)NCCOc1ccc(Cl)cc1 8163165 QTLQLSYBPSYPHT-LBPRGKRZSA-N 313.785 1.528 0 40 DDAB Cc1cc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nc(N)n1 69349898 GOOBLFWFCHWOKH-CYBMUJFWSA-N 302.382 1.086 0 40 DDAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccco3)cc21 69351464 DQWAJQYGEJBWMY-UHFFFAOYSA-N 307.331 1.098 0 40 DDAB Cc1cnc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)s1 95985763 PFYCIIOVYAEANW-UHFFFAOYSA-N 324.450 1.815 0 40 DDAB CCc1ccccc1NC(=O)[C@H]1CC(=O)NC(C)=C1C(=O)OC 8570084 BGERYDKWXMGIPV-LBPRGKRZSA-N 316.357 1.771 0 40 DDAB CCn1nnc2cc(C(=O)N3CCC[C@H]3Cn3cccn3)ccc21 69777333 XBJSUFLJJZOKFF-AWEZNQCLSA-N 324.388 1.953 0 40 DDAB CCS(=O)(=O)NCCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 97034483 SFMUYFKNMBJQIL-UPJWGTAASA-N 304.456 1.109 0 40 DDAB CC(C)N1C[C@H](NC(=O)NC[C@@H](c2ccco2)N(C)C)CC1=O 72293224 BGRGAJQONHRLEZ-OLZOCXBDSA-N 322.409 1.191 0 40 DDAB O=C1C[C@@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CN1CC1CC1 72283065 RMTQQQRGQWTQKW-UONOGXRCSA-N 316.405 1.374 0 40 DDAB CC1CCN(C(=O)CN2CCn3c(nnc3C3CC3)C2)CC1 72268416 YSJVOIFQXWDBOP-UHFFFAOYSA-N 303.410 1.230 0 40 DDAB Cn1ccnc1COc1ccc(CNCCn2cccn2)cc1 75121371 LUIRMIBCUZEIJD-UHFFFAOYSA-N 311.389 1.985 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2ccnc(Sc3ccccn3)c2)N1 75126942 ZTWASJQMXKZWRT-NSHDSACASA-N 314.370 1.845 0 40 DDAB O=C1NC[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)N1 89874895 SNQVGYQXESZNIP-JQWIXIFHSA-N 314.345 1.215 0 40 DDAB CC[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H]1N(C)C 89948554 KLOWVMQPCQXKIC-FZMZJTMJSA-N 317.389 1.430 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(CC3(O)CCCCC3)CCO2)n1 76050390 FEOYGZXITOMORC-ZDUSSCGKSA-N 308.426 1.826 0 40 DDAB OCCN(Cc1cccnc1)c1ncc(Br)cn1 76061266 KRZDHWGZPWAQTR-UHFFFAOYSA-N 309.167 1.633 0 40 DDAB CN1CCC[C@H](N(C)S(=O)(=O)c2cccc3ncccc23)C1 76062421 SWRVLCWMQLVOTN-ZDUSSCGKSA-N 319.430 1.950 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccncc3F)CCO2)n1 76046204 WQQVDGRGFSNNHE-LBPRGKRZSA-N 319.340 1.505 0 40 DDAB CCC(=O)N1CSC[C@@H]1C(=O)N1CCc2ccccc2C1 76195534 INABUGNOTXMTQL-CQSZACIVSA-N 304.415 1.883 0 40 DDAB CC(=O)N1C[C@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 306139002 SMTMAEHMQRDRQP-DLBZAZTESA-N 309.369 1.916 0 40 DDAB O[C@H](CNCc1nnc2n1CCCC2)Cc1cccc(Cl)c1 554523634 AMXFGMIGBCMWQJ-AWEZNQCLSA-N 320.824 1.961 0 40 DDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(N)CN)cc1 218048209 FSMVVSJHQLJGST-BBWFWOEESA-N 316.426 1.591 0 40 DDAB COC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218006109 QMVBXCJJABPUFJ-JQWIXIFHSA-N 319.835 1.805 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2ccc(N3CCCC3)nc2)C1 72364652 IVWUYMCHOCYPKC-HNNXBMFYSA-N 323.462 1.896 0 40 DDAB COc1ccc2nnc(CCC(=O)Nc3cccc(C)n3)n2n1 71284927 HVVHYRFEDFGECM-UHFFFAOYSA-N 312.333 1.408 0 40 DDAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(C)cc1 218379603 AOGFQQUSRAZWPE-YDHLFZDLSA-N 311.403 1.156 0 40 DDAB Cn1cc(-c2ncc(CN3CC[C@H](N4CCCC4)C3)cn2)cn1 525977957 OTHDCHGWXMYAPI-INIZCTEOSA-N 312.421 1.547 0 40 DDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2)s1 225321346 XUGXLQFNFQVAHM-UHFFFAOYSA-N 312.376 1.687 0 40 DDAB Cn1c(CS(=O)(=O)c2nccs2)nnc1-c1ccccc1 195028353 LZYNRGDGWHHEEK-UHFFFAOYSA-N 320.399 1.913 0 40 DDAB CNC(=O)[C@H](C)Oc1nn(C)c2ccc(Br)cc12 226754641 ZUZGYAXQMAQDIO-ZETCQYMHSA-N 312.167 1.849 0 40 DDAB C[C@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2ccccn2)s1 195575019 HATXFZHSBKGLBX-UWVGGRQHSA-N 303.391 1.690 0 40 DDAB COC[C@@H](O)CNC(=O)Nc1ccc(Br)c(F)c1 96435436 VHMIBUOSNWYXBS-QMMMGPOBSA-N 321.146 1.717 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H](C)Nc2cnn(C(C)(C)C)c2)CC1 97377228 XTDOFDUTRIEWDF-GFCCVEGCSA-N 321.425 1.129 0 40 DDAB CC(=O)N1CCC(NC(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 96404598 WENOHAYUYPMAPN-HNNXBMFYSA-N 322.453 1.313 0 40 DDAB Cc1nn(C)c2ncc(S(=O)(=O)N(C)c3nccs3)cc12 96433505 IZKNWUMOFQIFIL-UHFFFAOYSA-N 323.403 1.558 0 40 DDAB O=C(Cc1c(F)cccc1F)NCCc1nnc2n1CCCC2 97101033 AECDDFPEZXAEEO-UHFFFAOYSA-N 320.343 1.794 0 40 DDAB O=C(NCc1cnc2n1CCN(C(=O)c1ccco1)C2)C1CC1 96061929 JEXAROCLQBHNHG-UHFFFAOYSA-N 314.345 1.158 0 40 DDAB C[C@@H](NCC(=O)N1CCOCC1)c1cccc(N2CCCC2)c1 96492406 UKOKDTDJYPUJAY-OAHLLOKOSA-N 317.433 1.796 0 40 DDAB O=C(C1CC=CC1)N1CCCn2c(nnc2Cn2cccn2)C1 96259673 PILJECSHXNXIJC-UHFFFAOYSA-N 312.377 1.221 0 40 DDAB CN(C)CCNC(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 97236903 OTZHMESVPVQXBA-GOEBONIOSA-N 318.421 1.067 0 40 DDAB CCn1ncc2c1CN(C(=O)Cc1ccccn1)C[C@@H]2COC 96044575 HZTDBPXZAKSAIL-CYBMUJFWSA-N 314.389 1.613 0 40 DDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NC(C)C)[C@@H]3C2)nn1 96043297 WMAMRCFLHDVDGK-QLFBSQMISA-N 318.421 1.541 0 40 DDAB C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)[C@@H]1CCOC1 96485887 KRXZUJLRVOOASO-SDDRHHMPSA-N 323.359 1.689 0 40 DDAB Cc1cc(C(=O)NCCC(=O)N2C[C@@H](C)C[C@@H](C)C2)n(C)n1 96192444 XSJPZTMGEXYTLP-TXEJJXNPSA-N 306.410 1.353 0 40 DDAB Cc1ncsc1CN1Cc2ccnn2[C@@H](C(=O)NC(C)C)C1 248014084 HAGMXURWZUMLGM-CYBMUJFWSA-N 319.434 1.730 0 40 DDAB Cc1ncsc1CN1Cc2cncn2[C@H](C(=O)N(C)C)C1 248049710 XDPXXMGZKHEJTI-LBPRGKRZSA-N 305.407 1.293 0 40 DDAB COCC(=O)N1CCC[C@H](c2cncc(-c3ccnn3C)n2)C1 257206087 BBUCBJNFJSRVMK-LBPRGKRZSA-N 315.377 1.230 0 40 DDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 257259386 KYDJMANLZYEKSZ-LBPRGKRZSA-N 314.393 1.361 0 40 DDAB Cc1cnc(C(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)cn1 257234119 GSFBYRBIOOSKSN-HZSPNIEDSA-N 324.388 1.538 0 40 DDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H]1O 257296036 RAXXDRSCAUYLME-IIAWOOMASA-N 300.362 1.010 0 40 DDAB CCc1nc(CNC(=O)c2ccoc2CC(=O)OC)cs1 252491290 LKWKTSOEKZNLTB-UHFFFAOYSA-N 308.359 1.944 0 40 DDAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ccn[nH]2)n1 257313994 UUYHENYQMVNKHZ-ZDUSSCGKSA-N 301.350 1.029 0 40 DDAB Cc1oc2c(c1C(=O)N1CC[C@@](O)(CN(C)C)C1)CCCC2 257281866 ORHCOZWOQLXVGJ-QGZVFWFLSA-N 306.406 1.605 0 40 DDAB O=C(c1cnn2cccnc12)N1CCC[C@@H](c2ccncn2)C1 257326371 WWZHUQKOIVTHKU-GFCCVEGCSA-N 308.345 1.539 0 40 DDAB O=C(Cn1cnnn1)Nc1cc(-n2ccc3ccccc32)ncn1 96025278 OOHUKPNVBMBCJE-UHFFFAOYSA-N 320.316 1.046 0 40 DDAB CC(=O)N[C@@]12CCNC[C@@H]1CN(Cc1cccc3cccnc13)C2 19713770 HURIPCXMYLRMGP-IEBWSBKVSA-N 324.428 1.535 0 40 DDAB COc1cccc(CNC(=O)CN[C@@H](C)Cn2cccn2)c1 69378913 LZHBDGYXFIJOOH-ZDUSSCGKSA-N 302.378 1.186 0 40 DDAB Cc1nc(COc2ccc(C(=O)N3CCOCC3)cc2)no1 32860445 ONSBCCSPAJYSTN-UHFFFAOYSA-N 303.318 1.429 0 40 DDAB COc1ccc(OC)c([C@@H](O)CNCCn2cc(C)cn2)c1 72253127 UFDNHZLRGDIMJG-HNNXBMFYSA-N 305.378 1.532 0 40 DDAB CN(C)CC(=O)Nc1cccc(CNC(=O)N(C)C2CCC2)c1 73656866 ASJGVJIFLGSUQH-UHFFFAOYSA-N 318.421 1.881 0 40 DDAB O=C(O)C[C@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 74942039 ZCDXXFAQLUCRLZ-OAHLLOKOSA-N 307.302 1.575 0 40 DDAB in-vitro CCO[C@@H](C)c1noc(CN(CCO)Cc2cccnc2)n1 75110124 RITGNXXTLHHGEV-LBPRGKRZSA-N 306.366 1.557 0 40 DDAB Cc1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)c(=O)[nH]1 75119593 CMCFRANUPQOXIF-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB CCCN(Cc1cc(C)no1)S(=O)(=O)N1CCCCC1 78991086 LYIUHJGSGAWQDT-UHFFFAOYSA-N 301.412 1.926 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 40512148 MPWRAXQUISRTTN-BXKDBHETSA-N 309.329 1.703 0 40 DDAB COc1c(C)cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)cc1C 93051115 KLVLUAPKUCHJQY-IINYFYTJSA-N 313.419 1.703 0 40 DDAB COC(=O)[C@H]1CN(Cc2ccc3ccccc3n2)C[C@@H](C)O1 95414033 GDONPWBRYYJQMG-MLGOLLRUSA-N 300.358 1.997 0 40 DDAB Cc1cc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)on1 585174326 AQFUECGGMCJWHG-UHFFFAOYSA-N 311.301 1.240 0 40 DDAB COCCOc1ccc(CNc2cnn(C)c(=O)c2Cl)cn1 52315454 FPGQYZTVIDTCHX-UHFFFAOYSA-N 324.768 1.466 0 40 DDAB Cn1cc(C(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)nn1 1775967786 DEUOBTMWBLRUSO-NSHDSACASA-N 318.358 1.600 0 40 DDAB O=C(O)[C@@H](Cc1ccccc1)NC[C@@H](O)COc1ccccc1 5603645 OKPCGPWXKRZABC-NVXWUHKLSA-N 315.369 1.712 0 40 DDAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C(C)C)c3n2)cc1 12145934 DABYPNPSISQTBH-UHFFFAOYSA-N 311.345 1.775 0 40 DDAB Cc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCC3)c(=O)n12 12181981 MFAKKSIIKIMLRM-UHFFFAOYSA-N 324.384 1.888 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1C(=O)O 13027312 QRIIMEUPUIGYBM-NSHDSACASA-N 315.347 1.081 0 40 DDAB O=C(C1CC1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 19344982 UZJKQJYOAXKWQY-LLVKDONJSA-N 303.391 1.803 0 40 DDAB CCOCC(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19530993 FSXUIPYRFUPEGO-UHFFFAOYSA-N 315.373 1.666 0 40 DDAB Cc1ncc(C(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)c(C)n1 19747767 SSCVLGBDHKSYLZ-CYBMUJFWSA-N 316.405 1.614 0 40 DDAB COCC(=O)N1CCCN(C(C)C)CCNCc2ccccc21 643589602 YFPFRXUXUQNOCO-UHFFFAOYSA-N 319.449 1.870 0 40 DDAB CCN=c1ccnc(N2CCN(c3cc(C)nc(C)n3)CC2)[nH]1 1888904343 BMTFTPPWMIUXGG-UHFFFAOYSA-N 313.409 1.064 0 40 DDAB C[C@@H](OC(=O)COc1ccc(Br)cc1F)C(N)=O 21257260 BSKLFAIMRVXHFS-ZCFIWIBFSA-N 320.114 1.384 0 40 DDAB O=S(=O)(CCN1CCC(O)CC1)c1ccc(Cl)cc1 21334903 ISPWFVMXXLCDRI-UHFFFAOYSA-N 303.811 1.570 0 40 DDAB COc1cc(C)ccc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037983821 HKIHCEKEQYOTNC-HOTGVXAUSA-N 318.417 1.683 0 40 DDAB O=C(NC[C@@H](O)c1ccccn1)c1ccnc(OCC2CC2)c1 253407900 WWOQYAQWWSEKHX-OAHLLOKOSA-N 313.357 1.729 0 40 DDAB COc1cc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CCC3)C2)on1 1565549779 CIIWGFAWQQRNNM-ZBEGNZNMSA-N 319.361 1.204 0 40 DDAB CCNC(=O)Cn1c(CO)cnc1SCc1ccccc1F 9827423 DLGPRQNXHGRKAZ-UHFFFAOYSA-N 323.393 1.943 0 40 DDAB COCCN1CCO[C@@H]2CCN(C(=O)c3ccc(C)o3)CC[C@H]21 2055746202 ZFQBJQUPGDORPM-HUUCEWRRSA-N 322.405 1.540 0 40 DDAB Cc1cnc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cn1 40459657 UDPHNBYEHQQCIQ-CQSZACIVSA-N 300.362 1.945 0 40 DDAB Cc1cc(C)c2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 40497150 ZGGQSJCHDREQCT-LBPRGKRZSA-N 320.414 1.949 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccc(F)c1 40468192 GLABRARFWJGAOY-GXFFZTMASA-N 314.382 1.427 0 40 DDAB C/C=C/c1ccc(OCC(=O)NCc2nncn2C)c(OC)c1 40504730 UQROQGZWWRZGHR-SNAWJCMRSA-N 316.361 1.552 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cnn(C)c1 40528210 NZBIPGNUQHOQAI-YPMHNXCESA-N 301.412 1.294 0 40 DDAB COC(=O)c1cccc(NC(=O)c2nn(C)cc2C(=O)O)c1 20616085 YVSASQPSMPWGKE-UHFFFAOYSA-N 303.274 1.157 0 40 DDAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@@H](c1ccccc1)n1cnnn1 101343509 HHYGYMQXGYDRPP-QCEMKRCNSA-N 309.373 1.591 0 40 DDAB C[C@@H](C(=O)Nc1nccs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101485357 GZSGYCLUCFHWPX-LPEHRKFASA-N 305.359 1.421 0 40 DDAB CC(C)OC(=O)CCNC(=O)c1nn(C)c(=O)c2ccccc12 32787859 SNYLTSGBNULRTB-UHFFFAOYSA-N 317.345 1.005 0 40 DDAB CC(=O)N1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 32740464 HQPVFCCCTAVNDJ-NSHDSACASA-N 308.353 1.720 0 40 DDAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1 32895383 OCGZRHCHNNYFFU-TXEJJXNPSA-N 316.398 1.312 0 40 DDAB CCCCn1nnnc1Cn1cnc2cc(Cl)ccc2c1=O 21762713 AHCWBXJUEXUYNS-UHFFFAOYSA-N 318.768 1.885 0 40 DDAB CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)CC)cc1 22286039 HULOZMWUWNLICV-UHFFFAOYSA-N 313.375 1.762 0 40 DDAB COC1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 53886322 UNDYEBKVSHZQMS-UHFFFAOYSA-N 301.346 1.034 0 40 DDAB O=C(NCCc1ccccn1)c1ccc(Cn2cncn2)cc1 23241936 NPDCRUBAKFPISU-UHFFFAOYSA-N 307.357 1.694 0 40 DDAB C[C@H](Sc1nncn1Cc1ccco1)C(=O)N1CCOCC1 54326820 MUSXQGCUXDZEIK-NSHDSACASA-N 322.390 1.259 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)CCO1 24029058 ACUGNQCVCGYSMB-NSHDSACASA-N 302.334 1.312 0 40 DDAB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)CCOC 72230376 GKRCODXHFICPCS-GFCCVEGCSA-N 315.391 1.125 0 40 DDAB CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H](C)c1nnc2ccccn12 106097944 LQMUGIIWPIZMDQ-JHJVBQTASA-N 317.393 1.999 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@H](N(C)C)C2)n(C(C)(C)C)n1 78642228 LKQZBPYMPLHBDR-AWEZNQCLSA-N 321.469 1.911 0 40 DDAB Cc1nc(CN2CCO[C@@H](CNc3cccnn3)C2)oc1C 78894193 UEIVPYAAUIPEQU-ZDUSSCGKSA-N 303.366 1.394 0 40 DDAB CCOC(=O)Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC 1593384 MYABOQFCTTYCKE-UHFFFAOYSA-N 311.334 1.782 0 40 DDAB CC(=O)OCC(=O)Nc1cccc(I)c1 7089579 JTLXTGJYFRKDEC-UHFFFAOYSA-N 319.098 1.793 0 40 DDAB Cc1cnn(C[C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)c1 106665859 YTRIOKNDVXABEV-OCCSQVGLSA-N 317.393 1.914 0 40 DDAB O=C([C@H]1Cc2ccccc2O1)N1CCC(N2CCNC2=O)CC1 55786411 YKOSDXUDJPPADM-OAHLLOKOSA-N 315.373 1.006 0 40 DDAB C[C@@H]1CN(C(=O)C(=O)NC[C@@H](O)C2CCCC2)c2ccccc21 72287744 LFIBHJFKDSYUAK-MLGOLLRUSA-N 316.401 1.804 0 40 DDAB COc1ccc([C@@H]2CCN(S(=O)(=O)c3cnn(C)c3)C2)cc1 58267828 HOAHDTCWXMFXLF-CYBMUJFWSA-N 321.402 1.607 0 40 DDAB COc1ccc(N2CCn3c(SCC(N)=O)nnc32)cc1 9574023 DQRDWSVPNKKNCQ-UHFFFAOYSA-N 305.363 1.016 0 40 DDAB COc1ccc(CN(C)C(=O)NCc2cc[nH]n2)c(OC)c1 44971601 AFNLQWYZKSCLSZ-UHFFFAOYSA-N 304.350 1.769 0 40 DDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC(CO)CC1 44966470 WRIWVKHEIYSIRC-HNNXBMFYSA-N 321.421 1.830 0 40 DDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1cc[nH]n1 44977923 NVZWEVFLLAOSCP-GFCCVEGCSA-N 306.391 1.542 0 40 DDAB COc1ncccc1NC(=O)NCc1ccnc(-n2cccn2)c1 44953470 RXALGJBZOMFSSK-UHFFFAOYSA-N 324.344 1.993 0 40 DDAB O=C(CNC(=O)C1CC1)NCc1cn2cc(Cl)ccc2n1 44915197 LQYUXJNKICUCTE-UHFFFAOYSA-N 306.753 1.130 0 40 DDAB COc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)c(C)c1C 97166170 NRJUAMHOOWUMAS-UHFFFAOYSA-N 311.403 1.457 0 40 DDAB COc1ncccc1CNC(=O)NCc1cccnc1OC 45032463 RPZHBOYRUYDREW-UHFFFAOYSA-N 302.334 1.493 0 40 DDAB Cc1ccc2c(c1)CC1(CN2C)C(=O)N(C)C(=S)N(C)C1=O 2354988 MQGDQCSIWGDFGC-UHFFFAOYSA-N 317.414 1.189 0 40 DDAB COC[C@@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 28700511 UMEFGMNPLAHFLI-GFCCVEGCSA-N 301.346 1.056 0 40 DDAB O=C(CCCc1nc(-c2ccccc2)no1)N1CCOCC1 2440197 XEHXIZPJPYDXQY-UHFFFAOYSA-N 301.346 1.918 0 40 DDAB COC(=O)c1sccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101392003 JJPNGTUFVCGBKM-QEYWKRMJSA-N 323.326 1.127 0 40 DDAB O=C(CCN1C(=O)CCC1=O)N[C@H]1CCCc2ccccc21 29472348 PADDLYOXGOMDHM-AWEZNQCLSA-N 300.358 1.719 0 40 DDAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1 2658429 DLRCBINDKIHAJC-VIFPVBQESA-N 320.374 1.681 0 40 DDAB CC(=O)N1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 37496076 OXVJSEJPHUHQDO-UHFFFAOYSA-N 314.183 1.518 0 40 DDAB CCCS(=O)(=O)NC1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 104336826 KZNVGVIVPWUUEZ-SOUVJXGZSA-N 312.479 1.992 0 40 DDAB O=C(COc1coc(CO)cc1=O)Nc1cccc(Cl)c1 62715947 HRLQTIBJARDMGJ-UHFFFAOYSA-N 309.705 1.803 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc[nH]2)c1C 12760584 RXIFLZGJOYIWNK-UHFFFAOYSA-N 304.302 1.786 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C 3356127 KPXBPUCJNWGBOF-INIZCTEOSA-N 321.396 1.635 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1 12849221 VNPWRLCQWUWIGL-UHFFFAOYSA-N 312.373 1.552 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)c2ccccc2)C1=O 3597147 SCLMMFSCCLLZJH-CYBMUJFWSA-N 303.362 1.616 0 40 DDAB CCC[C@H]1NC(=O)N(CC(=O)N(CC)c2ccc(F)cc2)C1=O 12973102 SMDBSDYLMGBUHD-CYBMUJFWSA-N 321.352 1.899 0 40 DDAB COc1cc2c(nn1)CCN([C@H](C(N)=O)c1ccc(F)cc1)C2 83925416 KRGIBEAKFQUUDP-HNNXBMFYSA-N 316.336 1.209 0 40 DDAB COC[C@H](C)NC(=O)CSc1nc(-c2cccs2)n[nH]1 6035392 KCKCQBFESWHCEP-QMMMGPOBSA-N 312.420 1.776 0 40 DDAB COC(=O)Nc1cccc(Oc2cc(=O)n(C)c(=O)n2C)c1 6219148 GMWOOVPIKOMATQ-UHFFFAOYSA-N 305.290 1.055 0 40 DDAB Cc1cc(C)c(CNC(=O)NCCNc2ccccn2)c(=O)[nH]1 65516200 LDVMFCVTSIVOCI-UHFFFAOYSA-N 315.377 1.298 0 40 DDAB O[C@H](COc1ccccc1)CN1CCC(N2CCCC2)CC1 65551640 UCURSQSHZUJAPN-KRWDZBQOSA-N 304.434 1.987 0 40 DDAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCOCC3(C)C)cc12 65625946 RAGYUHKJAHSDOJ-UHFFFAOYSA-N 324.406 1.076 0 40 DDAB CC(=O)N1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 14161025 XUILHXZAGZCYBP-LBPRGKRZSA-N 323.824 1.509 0 40 DDAB Nc1ccc(OCC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1 4513687 JMFABCMWFYBQHY-UHFFFAOYSA-N 324.324 1.994 0 40 DDAB C/C(=C\C(=O)N1CCCN(C(N)=O)CC1)c1ccccc1F 96297302 BBHOMWGOLZZCMH-VAWYXSNFSA-N 305.353 1.842 0 40 DDAB NC(=O)c1cccc(CS(=O)(=O)C[C@H](O)c2ccccc2)c1 66502000 BISOQMGOBCEOBY-HNNXBMFYSA-N 319.382 1.434 0 40 DDAB COCCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5702070 PGAFMCSSIMMJHR-UHFFFAOYSA-N 320.370 1.111 0 40 DDAB CCc1ccc(-n2cc(C(=O)NC[C@H]3CCCO3)nn2)cc1 67262142 HGIADJXVDUFCAM-CQSZACIVSA-N 300.362 1.739 0 40 DDAB CCn1nc(C)c(CNC[C@H]2COC3(CCOCC3)O2)c1C 96494777 MCYISYOTXYKVQH-AWEZNQCLSA-N 309.410 1.532 0 40 DDAB O=c1c2ccccc2ncn1Cn1nnc2ccccc2c1=O 16583070 AHLAAEJPBMYUQQ-UHFFFAOYSA-N 305.297 1.007 0 40 DDAB CC(C)[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1cncn1 71819490 MMVSXUQJDDPART-HNNXBMFYSA-N 314.393 1.219 0 40 DDAB COC(=O)c1cc(F)cc(OC)c1NC(=O)Cn1cc(C)cn1 72292779 HEOLJDQYGRYVCT-UHFFFAOYSA-N 321.308 1.765 0 40 DDAB CN(CCNC(=O)[C@H]1Cc2ccccc2O1)C(=O)OC(C)(C)C 69537365 JRTWCXJNCVOOTF-CQSZACIVSA-N 320.389 1.973 0 40 DDAB O=C1CCCN1C[C@@H](O)CNCc1c[nH]nc1-c1ccccc1 71841231 XCEKOUXOICIETC-HNNXBMFYSA-N 314.389 1.150 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2cccc3c2ccn3C)CC1 69874966 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CC(C)C[C@@H](N[C@@H]1CCSC1)C(=O)N1CCC(CO)CC1 95967884 BRIBTGMZJARLOU-HUUCEWRRSA-N 314.495 1.727 0 40 DDAB COc1cc(NCc2ccc(CN3CCOCC3)cc2)ncn1 95941827 XFRHOOSKXCUGRY-UHFFFAOYSA-N 314.389 1.930 0 40 DDAB CO[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 95961129 PYDWEARMNXVYER-VIFPVBQESA-N 316.279 1.680 0 40 DDAB O=C(c1ccncc1F)N1CC[C@H]2[C@H]1CCN2c1ncccn1 306125866 DEBXLJUWVVRIBV-KGLIPLIRSA-N 313.336 1.504 0 40 DDAB Clc1cnc(N2CC[C@H](N=c3ccc4nccn4[nH]3)C2)nc1 548021165 XZFRIDHGBMGQFE-NSHDSACASA-N 315.768 1.285 0 40 DDAB COc1ccccc1CNC(=O)[C@@H](c1ccccc1)n1cnnn1 32096613 RWQFDUBHRWHQKZ-MRXNPFEDSA-N 323.356 1.588 0 40 DDAB CCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408611321 WPUCLYLXYAGLIC-UHFFFAOYSA-N 314.407 1.232 0 40 DDAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)NC1=S 409091159 PVPFENYXMIBDDO-WQLSENKSSA-N 320.370 1.618 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)o1 530359805 OWLJONQXBDVZII-QWHCGFSZSA-N 304.350 1.586 0 40 DDAB CCOC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218525898 RRFKYUCXGORNGX-RDBSUJKOSA-N 317.838 1.975 0 40 DDAB Cc1nccn1-c1cncc([C@H]2CCCN2CC(=O)N(C)C)n1 72378777 MYNAHIYFFLEHBN-CQSZACIVSA-N 314.393 1.196 0 40 DDAB CCCC(=O)N1CCN(c2ccc(-n3cnnc3)cc2N)CC1 70461873 XRLYKSBQQYCMKV-UHFFFAOYSA-N 314.393 1.298 0 40 DDAB C[C@@H]1CNCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 125308432 UPUPXFDICICIOA-GFCCVEGCSA-N 301.390 1.324 0 40 DDAB COCCNC(=O)[C@H](OC(=O)c1cccs1)c1ccncc1 35315698 KLWRAAIBHMPXIA-CYBMUJFWSA-N 320.370 1.804 0 40 DDAB Cc1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)cc1C 36635291 CTWQGSXYBODBHZ-GFCCVEGCSA-N 303.387 1.946 0 40 DDAB CCn1nc(C)c(NC(=O)Cc2ccc(OC)cc2)c1C(N)=O 72265456 BQOMYWJXBNOUSN-UHFFFAOYSA-N 316.361 1.500 0 40 DDAB CNC(=O)CCc1cc(C)nc(C2CCN(CCO)CC2)c1 72360443 YCFDPWGOHPJPIC-UHFFFAOYSA-N 305.422 1.240 0 40 DDAB CC(=O)Nc1ccc([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)cc1 35507602 WKRXTCBHZSGFEL-ZDUSSCGKSA-N 312.333 1.011 0 40 DDAB O=c1c2nnn(-c3ccccc3)c2ncn1C[C@@H]1C[C@H]2CC[C@H]1O2 562536284 WJELBFLFYIEDJL-IACUBPJLSA-N 323.356 1.545 0 40 DDAB COc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc3c(c2)OCO3)c1 72227742 AHYDUAMDHFHQPJ-JKSUJKDBSA-N 312.325 1.839 0 40 DDAB Cn1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)n1 130873791 SHTXAFOSCVADNV-ZDUSSCGKSA-N 315.377 1.451 0 40 DDAB O=C(NCCCN1CCN(C[C@@H]2CCOC2)CC1)C1CCCC1 88538314 VYRDJFQEAQACRI-INIZCTEOSA-N 323.481 1.337 0 40 DDAB CC1CCN(c2ncc3c(n2)CN(c2cnn(C)c2)C3=O)CC1 46088007 PIEUGAFWNLGOCO-UHFFFAOYSA-N 312.377 1.607 0 40 DDAB O=C(/C=C/c1cccs1)N1CCN(CCn2ccnc2)CC1 77119303 YXAGYULTIQRVDA-ONEGZZNKSA-N 316.430 1.802 0 40 DDAB COCCCNC(=O)C(=O)Nc1ccccc1Br 48490122 RSXSSYOEBUSCCU-UHFFFAOYSA-N 315.167 1.540 0 40 DDAB O=C(NCCc1ccccc1OC(F)F)N1CCC[C@H]1CO 190247054 VNCZUUNJENBEAF-LBPRGKRZSA-N 314.332 1.997 0 40 DDAB C1CO[C@H](COB(OC[C@@H]2CCCO2)OC[C@@H]2CCCO2)C1 195751727 MCTPAFAHCPKXRC-KKUMJFAQSA-N 314.187 1.558 0 40 DDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1c(F)cccc1F 96413626 YSUWNSNEQMDOOL-RFAUZJTJSA-N 314.332 1.817 0 40 DDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(CCc3ccccc3)C[C@H]21 96043327 CUWKLQFPWXZEPP-IXDOHACOSA-N 302.418 1.702 0 40 DDAB Cc1cnn(CCCNC(=O)NCC[S@@](=O)C(C)(C)C)c1 96408878 UZOJJTUZYNBVJI-NRFANRHFSA-N 314.455 1.428 0 40 DDAB Cc1cnc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 96239285 VMDPMXUOGJAECG-INIZCTEOSA-N 312.377 1.152 0 40 DDAB O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@H]12 96056241 KRAJLZLYKREGIY-MELADBBJSA-N 321.446 1.602 0 40 DDAB Cc1ccc(N[C@@H]2CO[C@]3(CCN(C4CCOCC4)C3)C2)nn1 96219548 QUNFUNSTOBURHE-WMLDXEAASA-N 318.421 1.609 0 40 DDAB O=S(=O)(C1CC1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187207 CCRQYFVFLJBUHL-IPYPFGDCSA-N 324.402 1.184 0 40 DDAB CCN1CCC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1=O 96157728 AHOUZQAGGLUGFV-UHFFFAOYSA-N 302.378 1.260 0 40 DDAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1)C2 96039358 YATAQQMAIUQXJY-ZBFHGGJFSA-N 305.378 1.524 0 40 DDAB Cc1ccc(CN(C(=O)CSc2nnc(N)n2C)C2CC2)o1 96428840 OBGCKFGMLBSLHK-UHFFFAOYSA-N 321.406 1.582 0 40 DDAB COCCn1cc(CCC(=O)Nc2nnn[nH]2)c2ccccc21 95474045 NCRQCRMBIHTGAM-UHFFFAOYSA-N 314.349 1.372 0 40 DDAB COc1ccc([C@H](O)[C@@](C)(Br)S(C)(=O)=O)cc1 96521316 BGETZCMDXKKPLZ-QWRGUYRKSA-N 323.208 1.884 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1C[C@H](O)[C@]2(CCCO2)C1 257320774 VYODPOPCNDSKJH-HOCLYGCPSA-N 307.394 1.392 0 40 DDAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257208850 BNUQWGIOXIMLAG-IIAWOOMASA-N 317.393 1.036 0 40 DDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)C1CCCCC1 257262217 LKPXWUPRBSAGQA-QGZVFWFLSA-N 316.405 1.621 0 40 DDAB COCCC(=O)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257302129 SBQNERHIXYSBFI-MRXNPFEDSA-N 318.417 1.967 0 40 DDAB Cc1cc2nccc(C3CCN(C(=O)Cn4ccnc4)CC3)n2n1 257302089 SBLPJEOHNXUGRT-UHFFFAOYSA-N 324.388 1.640 0 40 DDAB COCC[C@H](CO)NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 252484847 GJJDRWYFKRYPTR-SCRDCRAPSA-N 308.378 1.248 0 40 DDAB CNC(=O)c1sc2nc([C@@]3(C)CCCNC3)ccc2c1N 257219860 DINFLMCDHXXHBC-HNNXBMFYSA-N 304.419 1.879 0 40 DDAB Cc1ncsc1C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257339845 ZDMCUHKDCRXDMU-CHWSQXEVSA-N 304.371 1.716 0 40 DDAB Cc1ccc(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)cc1 585283522 RNICRFXZLGYSMP-ROUUACIJSA-N 321.417 1.351 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)NCc1nnc2ccccn12 43710966 UIUFCSDCQNBBEU-ZDUSSCGKSA-N 316.409 1.403 0 40 DDAB NC(=O)[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1 46187406 LBXCNWGZHOIBRV-HNNXBMFYSA-N 321.340 1.224 0 40 DDAB C=CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 51627158 GUPLWSLAEBQFTP-UHFFFAOYSA-N 316.357 1.980 0 40 DDAB CN1CCN(CC2CCN(C(=O)c3ccsc3)CC2)CC1 57066186 VOUAFTKDNZSIJH-UHFFFAOYSA-N 307.463 1.848 0 40 DDAB CN1CCN(C2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1=O 75604096 YRKXNMWGJRNFKS-HNNXBMFYSA-N 316.405 1.045 0 40 DDAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@H]2[C@@H](C(F)(F)F)[C@H]21 39947706 LWSDFMTZOOHKNY-HSNKUXOKSA-N 311.256 1.636 0 40 DDAB O=C(CN(Cc1cscn1)C[C@@H]1CCCO1)N1CCCC1 76089854 GAOIOQSJAHTYNL-AWEZNQCLSA-N 309.435 1.747 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 79421580 QKHJAPOJYVVIIL-KBPBESRZSA-N 319.405 1.992 0 40 DDAB O=C(COc1ccc2c(c1)CCC2)N[C@@H]1CCc2nccn2C1 97197758 MRFBPQRDQXWRGJ-OAHLLOKOSA-N 311.385 1.882 0 40 DDAB COC(=O)c1ccccc1NS(=O)(=O)c1c(C)noc1C 152669 PVNUALWPLLUROR-UHFFFAOYSA-N 310.331 1.879 0 40 DDAB CO[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@@H](CN)C1 195557532 FRNDECJAVCENBQ-NXEZZACHSA-N 317.183 1.620 0 40 DDAB O=C(O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 2192947 FZNMEBHOYAUETL-ONNFQVAWSA-N 307.283 1.536 0 40 DDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 8105228 XYQUQDYXQRWUTH-XFXZXTDPSA-N 320.370 1.486 0 40 DDAB CCN(CC)C(=O)Cn1nc(-c2ccc(C)s2)cc(N)c1=O 12181717 PDKPLVNSOXXASW-UHFFFAOYSA-N 320.418 1.731 0 40 DDAB Cc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)N(C)C)c(=O)n12 12183512 ODFNEMHKLIFYHQ-UHFFFAOYSA-N 312.373 1.663 0 40 DDAB COc1ccccc1C1(O)CCN(Cc2cnc(N)nc2)CC1 12328658 OGHPQRKKMHLJTM-UHFFFAOYSA-N 314.389 1.551 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13119528 JBDRXPMABAOOHB-DGAVXFQQSA-N 305.330 1.902 0 40 DDAB O=C(Nc1ccccc1O)c1c(O)c2c([nH]c1=O)CCCC2 18063351 IPNKQEXEZCHFKE-UHFFFAOYSA-N 300.314 1.917 0 40 DDAB CNc1cc(CN(C)C(=O)CC(C)C)nc([C@H]2CCCNC2)n1 19709580 AXJXCHAMIHFRDI-ZDUSSCGKSA-N 319.453 1.990 0 40 DDAB CCCNC(=O)[C@H]1CCN(C(=O)c2cnn3cc(C)cnc23)C1 19747303 LWWBOHFWRLJAAW-LBPRGKRZSA-N 315.377 1.026 0 40 DDAB Cc1ccc(NC(=O)COCC(=O)NCCCOC(C)C)cc1 19807807 BLCXACUPDVOEHS-UHFFFAOYSA-N 322.405 1.881 0 40 DDAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 8477241 ZLYYYVXNMHIOAX-JXMROGBWSA-N 319.273 1.592 0 40 DDAB O=S(=O)(Cc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 253404315 QYDUWDUVWWFWMI-QLFBSQMISA-N 311.403 1.443 0 40 DDAB CC1(C)Cc2cccc(OCC(=O)NC[C@@]3(O)CCOC3)c2O1 390832471 ZPIOJBNZBJOKGR-KRWDZBQOSA-N 321.373 1.047 0 40 DDAB O=C(OCc1cn2ccccc2n1)c1n[nH]c(=O)c2ccccc12 5184505 XEMUUSDFUSWHKH-UHFFFAOYSA-N 320.308 1.928 0 40 DDAB Cc1nc(C)c(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)s1 1888890558 OEARHFUJTWNUMI-CQSZACIVSA-N 323.462 1.973 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(Cc3ccccn3)CC2)n1 1889102938 IORQTPMKKSKUID-UHFFFAOYSA-N 312.421 1.568 0 40 DDAB CCc1ccccc1S(=O)(=O)N1CC[C@H](c2ncon2)C1 238827494 FCFSNOYNHKYWDD-LBPRGKRZSA-N 307.375 1.810 0 40 DDAB O=C(O)[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C1 92181713 APMYVDVTHOUBTM-HTQZYQBOSA-N 319.741 1.787 0 40 DDAB O=C1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)CN1 1565543169 AZLGGGJLLISJCB-UHFFFAOYSA-N 304.365 1.887 0 40 DDAB O=C(N1C[C@@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1)C1(F)CC1 1565546078 SFFNZDCLBGNQCE-WCQYABFASA-N 316.380 1.677 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@]12CCN(C(=O)CC1(O)CCC1)C2 1565550074 ONRWFABEEIOIJM-CJNGLKHVSA-N 306.406 1.199 0 40 DDAB O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccccn1 4271754 URRZGGAGQGOEHV-UHFFFAOYSA-N 322.303 1.560 0 40 DDAB CC(C)c1nn(CC(N)=O)c(=O)c2c1cnn2-c1ccccc1 13971226 HVCURJNJKPVOME-UHFFFAOYSA-N 311.345 1.191 0 40 DDAB O=C1NCCN1C(=O)NC[C@@H](c1ccsc1)n1cccn1 575613733 KLEPUSXCBMMAKS-NSHDSACASA-N 305.363 1.269 0 40 DDAB COc1ccccc1[C@@H]1NC(=O)c2ccccc2N1CC(N)=O 40490169 SYZRGYRLYMWKFF-MRXNPFEDSA-N 311.341 1.429 0 40 DDAB Cc1cccc([C@@H](CC(=O)Nc2nncs2)NC(N)=O)c1 40498583 AQAGHVBFQYKYRJ-SNVBAGLBSA-N 305.363 1.585 0 40 DDAB COC[C@H](C)NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 40540173 JAUGLSRRNOJFGM-IINYFYTJSA-N 321.356 1.056 0 40 DDAB CN(C)c1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccn1 40512561 BFXNREDIAAAZJE-UHFFFAOYSA-N 324.384 1.962 0 40 DDAB Cc1nnnn1-c1cccc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 101718909 CFPLEETXEPJIPC-YDHLFZDLSA-N 309.373 1.913 0 40 DDAB COc1ccc(OCCN2CCC(N3CCNC3=O)CC2)cc1 52216273 HAKCKWYRCHNAIJ-UHFFFAOYSA-N 319.405 1.564 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCCC1 387315 QVQZABZYIQDYCQ-UHFFFAOYSA-N 320.773 1.380 0 40 DDAB CCCCOc1ccc(C(=O)NCCCC(N)=O)cc1OC 32924340 VGYXTSAPGKFDNY-UHFFFAOYSA-N 308.378 1.869 0 40 DDAB COC(=O)NCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 53482827 OGPQCBQMFFIMFO-LLVKDONJSA-N 317.345 1.890 0 40 DDAB Cc1ccc(-n2nnnc2NCc2ccc(C(N)=O)cc2)cc1 54043023 UCSICJNVCSRVGQ-UHFFFAOYSA-N 308.345 1.682 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(Br)c[nH]1 37503641 BKXJSHFUSLCRJW-VIFPVBQESA-N 316.199 1.228 0 40 DDAB CCOC(=O)C1CCN(C(=O)COc2ccccc2OC)CC1 195383 PIEDNWQYYYLWIH-UHFFFAOYSA-N 321.373 1.876 0 40 DDAB CN1CCN(C(=O)CCCS(C)(=O)=O)c2ccc(F)cc21 78935284 KCWSLZLBQNWYGT-UHFFFAOYSA-N 314.382 1.433 0 40 DDAB C[C@H]1CN(CCCNC(=O)NCc2cccc(O)c2)C[C@@H](C)O1 79727957 XUZIZSCPYLOYNF-OKILXGFUSA-N 321.421 1.691 0 40 DDAB Cc1cc(C)nc(SCc2nnc(SCC(N)=O)n2C)n1 2706252 KZDSOWZBUQGCPS-UHFFFAOYSA-N 324.435 1.092 0 40 DDAB CCOC(=O)c1cc(C(=O)Nc2ccccc2OC)nn1C 2760725 BLTKMHPDWKHOKN-UHFFFAOYSA-N 303.318 1.858 0 40 DDAB CN1CC[C@H](CNC(=O)N2CC[C@@H](C(N)=O)C2)c2ccccc21 106571498 VPXFPHHMFXFVHW-CHWSQXEVSA-N 316.405 1.127 0 40 DDAB C[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 4504520 PYGIFSAOEFRANF-LLVKDONJSA-N 305.357 1.318 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCS(C)(=O)=O)cc1 56880542 BOPXNWGUQFIVBY-MFKMUULPSA-N 324.402 1.056 0 40 DDAB O=C(O)C1=C[C@@H](c2cccnc2)n2nc(C(F)(F)F)nc2N1 102335951 YRAIOEPFHYHWOM-QMMMGPOBSA-N 311.223 1.675 0 40 DDAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 26492104 VANMIQQIIPTLIQ-MCCOKDRQSA-N 319.430 1.891 0 40 DDAB CCNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10325583 CGUJAVVINRUTBF-JTQLQIEISA-N 318.826 1.939 0 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CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCC1)C2=O 3610256 XWHLQBCSEIMUTH-UHFFFAOYSA-N 307.394 1.546 0 40 DDAB COc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(OC)c1OC 13170335 AUQCYIGGVULYII-SNVBAGLBSA-N 323.345 1.649 0 40 DDAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCNC(=O)C1 13690902 BNMLZPZRZFVUKO-UHFFFAOYSA-N 301.371 1.691 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(c1ccc3nccnc3n1)CC2 95400772 CKQSFYVNYJDQHM-UONOGXRCSA-N 314.389 1.781 0 40 DDAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 14109923 CMYIIBWKWNCVGG-MRVPVSSYSA-N 313.427 1.817 0 40 DDAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCOCC1 6809122 RHJMLAVNNXPOIG-UHFFFAOYSA-N 316.405 1.685 0 40 DDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCCn1ccnc1 67163649 ZQRQGVAMCOYRFF-CYBMUJFWSA-N 322.409 1.789 0 40 DDAB CN1C(=O)N(CC(=O)Nc2nccs2)C(=O)C12CCCCC2 6994850 AQENQPLYVDARCS-UHFFFAOYSA-N 322.390 1.679 0 40 DDAB Cc1cc2nc(SCC(N)=O)n(CCC(C)C)c(=O)c2[nH]1 67239340 QHKMDEJDNLKHHF-UHFFFAOYSA-N 308.407 1.657 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(OC)cc1OC 15449072 SVYZKIKCSIRCGG-LLVKDONJSA-N 323.393 1.370 0 40 DDAB C/C(=C\C(=O)NCCC(=O)N1CCOCC1)c1ccc(F)cc1 96400773 WYCYNPROCVHGHB-OUKQBFOZSA-N 320.364 1.594 0 40 DDAB O=C(NCCCN1CCCCC1)c1ccnc(-n2cncn2)c1 71822718 SRBKXVPTQDXAQV-UHFFFAOYSA-N 314.393 1.268 0 40 DDAB Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)on1 71909154 NHUVSJJYOKGBOQ-GFCCVEGCSA-N 318.333 1.889 0 40 DDAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)N(C)C 71914611 QBMGWBBUFZROMP-SKDRFNHKSA-N 306.815 1.812 0 40 DDAB c1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)cs2)nc1 69491753 LURYZNMTPVOLOM-LLVKDONJSA-N 312.402 1.901 0 40 DDAB Cc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn2c1=O 8400871 XAZMYJQITONJOV-UHFFFAOYSA-N 316.342 1.216 0 40 DDAB CCOC(=O)Nc1nnc(Sc2cc(C)nc(N)n2)s1 69564174 FMOIKNZBWCHCHZ-UHFFFAOYSA-N 312.380 1.938 0 40 DDAB C[C@@H](C(=O)NC(N)=O)N1CCO[C@H](c2ccccc2Cl)C1 69620226 HVCYZCOZDWDNGO-CABZTGNLSA-N 311.769 1.297 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C1CCC2(CC1)OCCO2 91853767 DRHPEQOZVWIHDD-UHFFFAOYSA-N 310.316 1.282 0 40 DDAB Cc1csc(NC(=O)CN2CCCC[C@@H]2Cn2cncn2)n1 69707421 MJHHPCVWAIBITL-GFCCVEGCSA-N 320.422 1.536 0 40 DDAB COC(=O)c1cccc(CCNC(=O)c2cc(C)nn2C)c1 92032529 IDLLMZWWYUGXRT-UHFFFAOYSA-N 301.346 1.488 0 40 DDAB CCCc1c(C)[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O 18063685 WTBOPVSOQZZDRN-UHFFFAOYSA-N 313.361 1.675 0 40 DDAB CC(C)(C)[C@H]1CCCN(C(=O)c2nc(O)[nH]c(=O)c2N)CC1 73763212 UTQPJJWLUWRTRV-VIFPVBQESA-N 308.382 1.346 0 40 DDAB O=C(NC[C@H]1CCCO1)N1CCC([C@H](O)C(F)(F)F)CC1 95967092 XIIPNNURHIRLDR-MNOVXSKESA-N 310.316 1.510 0 40 DDAB CC(C)Cn1nc(C(=O)N2CC[C@H](N)C2)c2ccccc2c1=O 97019619 LCWNGWMRNZAWRN-LBPRGKRZSA-N 314.389 1.226 0 40 DDAB Cc1ccc2ncc(C(=O)N3CCC[C@H]3c3nncn3C)n2c1 97032432 FOHKLDSQBDJRCI-LBPRGKRZSA-N 310.361 1.749 0 40 DDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CCCCN3C)C2)n1 72277964 AQBBWDTXHJAPBE-LSDHHAIUSA-N 305.426 1.543 0 40 DDAB O=C(CCc1ccccc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268936 YQYDADMVZMNLIX-SJORKVTESA-N 320.408 1.816 0 40 DDAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@H](n4cccn4)C3)cc12 72283093 BQSJJXLADMEBON-ZDUSSCGKSA-N 310.361 1.940 0 40 DDAB O=C(CCOc1ccccc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269034 MERQITYOLBEDKD-IAGOWNOFSA-N 318.417 1.513 0 40 DDAB Cc1nc([C@H]2CCCN2C(=O)Cc2cn3ccsc3n2)no1 72298984 SIQFUAZBAGFTHL-LLVKDONJSA-N 317.374 1.993 0 40 DDAB CCn1ncc2c1CCC[C@@H]2N[C@@H](C)C(=O)N1CCOCC1 72299770 IVEJRBONDNVZLL-JSGCOSHPSA-N 306.410 1.117 0 40 DDAB CCc1nc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cs1 72269331 BOJVWRMFSQZYIC-KBPBESRZSA-N 323.462 1.306 0 40 DDAB CCN(CC)C(=O)CNC(=O)N[C@@H]1CCN(c2ccccc2)C1 72270193 PXWUTQOUHPIRRH-CQSZACIVSA-N 318.421 1.433 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)C1=NN(C(C)C)C(=O)CC1)C2 72271694 BBEUHJBHAXDAIQ-GFCCVEGCSA-N 317.393 1.009 0 40 DDAB CCCOCC(=O)Nc1cn(CC)cc(Br)c1=O 97110907 PPUQRMXVBREMHF-UHFFFAOYSA-N 317.183 1.996 0 40 DDAB COc1cccc(C(=O)NC[C@H](O)c2ccccn2)c1OC 89471471 QPXUQWPGDAQWEE-ZDUSSCGKSA-N 302.330 1.562 0 40 DDAB Cc1cc(Cl)c(C(=O)NCC(C)(C)N2CCOCC2)cn1 89575536 HWRGQRPEGHAHQW-UHFFFAOYSA-N 311.813 1.884 0 40 DDAB CNC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 4375851 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CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)CC 217707996 DMCNWRMDGGGDEJ-SECBINFHSA-N 300.380 1.893 0 40 DDAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C(C)(C)C 72324155 CQJFGMWIDGKGLX-LLVKDONJSA-N 302.378 1.732 0 40 DDAB CC(C)N(Cc1ccnc(Br)c1)C(=O)[C@H](C)N 79421631 ZUOLQSICFCBCFJ-VIFPVBQESA-N 300.200 1.928 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1F 77939412 VQIIYDAGCPIRDP-BXUZGUMPSA-N 308.353 1.740 0 40 DDAB Cc1nnsc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 85558938 JSDPASHLBQSYGX-LLVKDONJSA-N 305.359 1.245 0 40 DDAB O=C1C[C@H](NC[C@@]2(O)CCSC2)CCN1c1ccccc1 193137195 NLUXDDSDPFYLQB-CJNGLKHVSA-N 306.431 1.640 0 40 DDAB CCn1cc(CC(=O)N[C@@H]2CNC[C@@H]2OC)c2ccccc21 195554091 KULGZQPDDQOFNC-ZBFHGGJFSA-N 301.390 1.307 0 40 DDAB CCCCNC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225880487 CTLHOFOAKJNGJV-UHFFFAOYSA-N 305.425 1.377 0 40 DDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 96042765 KBCMLLPJUCQKQL-CGTJXYLNSA-N 314.429 1.987 0 40 DDAB CCn1cc(N2C[C@@H](C(=O)NCc3ccc(C)o3)CC2=O)cn1 96101464 XWUARLUNYHHWEL-LBPRGKRZSA-N 316.361 1.474 0 40 DDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)Cc1ccccc1)C2 96217889 UAQXUYMKMUVQTC-FUHWJXTLSA-N 302.418 1.656 0 40 DDAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)Cc2ccon2)cc1 96427824 NRZOONGUMXYOKP-GFCCVEGCSA-N 310.375 1.870 0 40 DDAB COC[C@H]1CN(C(=O)N[C@@H](C)Cc2cccc(F)c2)CCO1 96440397 ZNZWYIFJDLVLIQ-SWLSCSKDSA-N 310.369 1.814 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ncc(Cl)cn2)C1 95406780 LUKDMNMBHSIHJA-GHMZBOCLSA-N 312.801 1.498 0 40 DDAB CCC1=NS(=O)(=O)N(Cc2ccccc2F)C=C1C(=O)O 96031998 POIVGCOFWANEMA-UHFFFAOYSA-N 312.322 1.706 0 40 DDAB COc1cc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)ncn1 96183295 VEXKCMWEXXAVQX-UONOGXRCSA-N 304.394 1.175 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3nccs3)C2)C1 96051931 IVOINTDQENNFQE-DZGCQCFKSA-N 311.451 1.312 0 40 DDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)Nc1ccccc1 96245796 OCHARSCQHDRMLJ-ZIAGYGMSSA-N 303.362 1.540 0 40 DDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4ccco4)C3)C2=O)cn1 96159553 DGGPJNOKPRSTGX-MRXNPFEDSA-N 314.345 1.282 0 40 DDAB Cc1nc(CN(C)C(=O)c2ccc(N3CCCC3)nn2)no1 331432501 TZXJMZBTVCCKIH-UHFFFAOYSA-N 302.338 1.040 0 40 DDAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 96072938 VSMNBXKPHKSAHQ-NVXWUHKLSA-N 311.389 1.717 0 40 DDAB CCN(CC)C[C@@H]1CN(C(=O)c2cccn2C)Cc2cncn21 248153421 UZAUBLFOXONKDB-OAHLLOKOSA-N 315.421 1.761 0 40 DDAB O=C1CCCN1C[C@@H]1CN(C2CCOCC2)Cc2cncn21 248005533 SRCFLLWDUBBEST-OAHLLOKOSA-N 304.394 1.041 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257335545 YKPVRUCJNSBLPS-ZDUSSCGKSA-N 314.345 1.028 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257285205 PGCGRNKXYZPNBE-ZDUSSCGKSA-N 303.366 1.295 0 40 DDAB O=C(Cc1ccccc1Cl)NCc1nnc2c(O)nccn12 253397742 FYKVZXJSKFHVEA-UHFFFAOYSA-N 317.736 1.342 0 40 DDAB COc1ccccc1CN(C)C(=O)[C@]1(C)CN(C(C)=O)CCO1 257208911 BOAYGJJWDHFZFK-KRWDZBQOSA-N 320.389 1.291 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257228890 FVSXKEQKFFXVPO-AWEZNQCLSA-N 324.344 1.149 0 40 DDAB COCc1c(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)noc1C 257261864 LJBHAVKHICYPJH-KFNAQCHYSA-N 308.378 1.895 0 40 DDAB COc1cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc1F 262349725 DXVBOTLLLWZOGE-LLVKDONJSA-N 305.327 1.222 0 40 DDAB O=C(NCCN1CCCC1)c1csc(Br)n1 51943286 ZKLDPEWNXLYZLU-UHFFFAOYSA-N 304.213 1.731 0 40 DDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 298249145 ZMNAGKRRZHIAIE-LLVKDONJSA-N 314.407 1.230 0 40 DDAB O=C(c1cnc[nH]1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575406764 SDZPUDUIMJUNGR-AWEZNQCLSA-N 323.356 1.710 0 40 DDAB CC[C@H](C)N(CCO)S(=O)(=O)c1ccc(OC)cc1C 585141963 JVUCIDBAQJDDLG-LBPRGKRZSA-N 301.408 1.785 0 40 DDAB CCc1cc(=O)[nH]c(-c2ccc(N3CCOC[C@H]3C)nc2)n1 68663814 RMSJHAQKCFKWJY-LLVKDONJSA-N 300.362 1.619 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 49335297 RIBUAKVPMXQGDW-UHFFFAOYSA-N 303.330 1.819 0 40 DDAB COCCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 57412011 BLAWVJHKAFAKFR-CYBMUJFWSA-N 320.393 1.397 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c(=O)[nH]1 75119033 HWJCLJVDCYFQEJ-UHFFFAOYSA-N 322.368 1.858 0 40 DDAB NC(=O)c1cccc(CNC[C@@H]2CCCN2c2cccnn2)c1 75584863 ZBPGPBSBESAPOT-HNNXBMFYSA-N 311.389 1.334 0 40 DDAB Cc1oc(C)c(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c1C 76054739 OTUQEHALRUXPGJ-NHYWBVRUSA-N 306.406 1.998 0 40 DDAB O=C(Nc1ccc2nn[nH]c2c1)c1ccccc1Cn1cncn1 89814055 XWMZEKTTXQPNLQ-UHFFFAOYSA-N 319.328 1.850 0 40 DDAB O=C(c1ccc(F)cc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549167470 PCKGCXATMSUGDY-UHFFFAOYSA-N 304.321 1.594 0 40 DDAB COCCNC(=O)CSc1nnc(Cc2ccccc2)n1C 5499120 KTVKLLJKIJDIDW-UHFFFAOYSA-N 320.418 1.261 0 40 DDAB Cc1cccc(-n2nnnc2SC[C@@H]2CNC(=O)O2)c1C 12997092 CAAPYBRPDZTSPK-JTQLQIEISA-N 305.363 1.480 0 40 DDAB CCN1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 14202148 RACDVNHYPCBKOD-UHFFFAOYSA-N 306.431 1.941 0 40 DDAB O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(C2CCOCC2)C1 15674512 LJVCLBOJFIMOGE-KGLIPLIRSA-N 316.361 1.418 0 40 DDAB biogenic,in-vitro CN(C)C(=O)[C@@]1(C)CCCN1C(=O)c1ccc2nsnc2c1 19746746 MSNJNIWPKBDNJM-OAHLLOKOSA-N 318.402 1.774 0 40 DDAB CCCNS(=O)(=O)c1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 5153807 MQNYMPHCDZZNAR-JTQLQIEISA-N 308.403 1.771 0 40 DDAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)nn1C(C)C 572949907 FJHFPZUKCGUEPO-SCRDCRAPSA-N 304.394 1.498 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O 1848354782 KBRLHKIAZKGKPE-BPLDGKMQSA-N 309.410 1.373 0 40 DDAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)no2)c1O 21903491 NFGLMURNRZMFJT-VIFPVBQESA-N 320.301 1.881 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccoc2)CC1 25236259 ZGBVOQNRIOAKRW-UHFFFAOYSA-N 317.345 1.412 0 40 DDAB CNc1cccc([C@@H]2CN(c3ncnc4[nH]cnc34)CCO2)n1 2037843306 AGRAHRNINGLSPV-NSHDSACASA-N 311.349 1.368 0 40 DDAB CC(C)N1C(=O)OC[C@H]2CCN(C(=O)c3cnccn3)CC[C@@H]21 2037984496 CLSHXRDDHCUKJQ-OCCSQVGLSA-N 318.377 1.558 0 40 DDAB c1ccc(OC[C@]23COC[C@H]2CN(Cc2cn[nH]c2)C3)nc1 1203093626 JLGRPCHHYUGPDA-ZBFHGGJFSA-N 300.362 1.332 0 40 DDAB O=C(NC1CCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CC2)O1 1565547334 NUNARWVCVRQTHC-UPJWGTAASA-N 310.369 1.306 0 40 DDAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)NC)cc1)C(F)(F)F 2274504 YXSRHMQVPZUUSH-LBPRGKRZSA-N 320.267 1.751 0 40 DDAB Cc1c(Cl)cccc1NC(=O)C[C@@H](NC[C@@H](C)O)C(=O)O 5258196 NMDYYEFZRDPPPP-PRHODGIISA-N 314.769 1.401 0 40 DDAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)CCF)C2 2055708079 DNUWAXHJQQXKRM-UHFFFAOYSA-N 323.368 1.569 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCNC1=O)c1cc2ccccc2o1 575622476 ZBKQZVCQBXYHLO-LBPRGKRZSA-N 316.361 1.770 0 40 DDAB O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 13628211 CWTRIYDJEQTLDI-XSWJXKHESA-N 310.353 1.252 0 40 DDAB CCc1nnsc1C(=O)NCCCN1CCCCCC1=O 40480831 OTOCBSKEZHJZOL-UHFFFAOYSA-N 310.423 1.623 0 40 DDAB O=C(CN1CSCC1=O)NCc1ccccc1N1CCCC1 40556306 CWKNGCKMCNJHCS-UHFFFAOYSA-N 319.430 1.436 0 40 DDAB C[C@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 20938907 WGNOHSWMKMBAHI-BETUJISGSA-N 302.374 1.782 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc2nonc12)c1ccccn1 32578709 FJJDUZMPCFFZGS-VIFPVBQESA-N 304.331 1.657 0 40 DDAB NC(=O)[C@@H]1CCCCN1Cc1ccc(C(=O)N2CCCC2)cc1 32869441 DJRFPZAWVXBRNQ-INIZCTEOSA-N 315.417 1.762 0 40 DDAB Cc1noc(C)c1CN(C)CCCN1C(=O)NC(C)(C)C1=O 52612781 JYWQNNGGYNJOKY-UHFFFAOYSA-N 308.382 1.444 0 40 DDAB Cc1cc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)on1 53354955 OKWGJKDYIBYUAW-UHFFFAOYSA-N 308.769 1.923 0 40 DDAB CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)OC 420719 IHJNSSDAPUCDDU-UHFFFAOYSA-N 321.362 1.210 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@H]2N=C(O)N(C)[C@@H](c3cccc(O)c3)[C@H]12 525522 OYYQTTDHEHANDY-ZBPZKIAKSA-N 304.350 1.279 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CO)CC1 61735419 PBTITDZAJPTTBR-STQMWFEESA-N 308.426 1.885 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1 24475324 OVFRPEBKUXANCI-UHFFFAOYSA-N 309.387 1.940 0 40 DDAB O=C(Nc1nnc(C2CC2)s1)c1cccnc1-n1cncn1 24456017 GWABDYWFTOPWMA-UHFFFAOYSA-N 313.346 1.644 0 40 DDAB COc1cccc(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 77991473 NLCOGAOGNNFOCQ-ZDUSSCGKSA-N 303.280 1.763 0 40 DDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(O)nn1 24683911 GXDVVWHWNNLFPU-UHFFFAOYSA-N 309.329 1.640 0 40 DDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(C)o1 78898692 ILKVGJHUMNEZLK-JSGCOSHPSA-N 300.424 1.738 0 40 DDAB C[C@@H](NC(=O)NCCNC(=O)C1CCCC1)c1cnn(C)c1 78941345 KZYWBTRDTBDINM-LLVKDONJSA-N 307.398 1.087 0 40 DDAB Cc1cccc(C)c1NC(=O)C[C@@H]1SC2=NCCN2C1=O 3311712 KZXBOIWIGFPWCX-NSHDSACASA-N 303.387 1.946 0 40 DDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1F 3393138 XAPBEUCVGKWAOD-UHFFFAOYSA-N 322.317 1.782 0 40 DDAB O=C(Nc1ncccn1)c1c(O)n2c3c(cccc3c1=O)CCC2 1300139 XULOCAGHKQBTCY-UHFFFAOYSA-N 322.324 1.696 0 40 DDAB COCCCn1c(C)nnc1SCC(=O)NCc1ccco1 4130639 QCMDYFOCQISBFC-UHFFFAOYSA-N 324.406 1.625 0 40 DDAB Cc1ccc2oc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(C)c2c1 4185900 PUDALUBTECXADO-NSHDSACASA-N 307.371 1.967 0 40 DDAB Cn1c(C(=O)NCCC(=O)N2CCOCC2)cc2ccccc21 55784945 RQPKAZPEPLCWOD-UHFFFAOYSA-N 315.373 1.157 0 40 DDAB COCCNC(=O)CSc1nncn1-c1ccccc1F 6129154 SYPGKTMOLKBTSW-UHFFFAOYSA-N 310.354 1.261 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 7077236 YJHSKXNQTHPMES-VHSXEESVSA-N 318.826 1.922 0 40 DDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1Cc1ccsc1 107214487 ZJEDJCDKSTXDGA-KGLIPLIRSA-N 310.419 1.498 0 40 DDAB COCCN1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 48061401 PMAGSODFJCBNON-UHFFFAOYSA-N 316.405 1.809 0 40 DDAB Cc1cc(NC(=O)c2cccnc2)n([C@H]2CCS(=O)(=O)C2)n1 44839841 BKMVYFCFGVNBRU-LBPRGKRZSA-N 320.374 1.198 0 40 DDAB O=C1CC[C@H](Cn2nnc3cc(Cl)ccc3c2=O)CCN1 521394703 SGYARUDZNUTJQT-VIFPVBQESA-N 306.753 1.361 0 40 DDAB CCC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2116097 ONXVEHAZBASNDH-LBPRGKRZSA-N 319.313 1.541 0 40 DDAB biogenic Cc1nn(C)c(Oc2ccccc2)c1CNCCS(C)(=O)=O 58316942 ROAJJHIKOLUKHO-UHFFFAOYSA-N 323.418 1.655 0 40 DDAB CSc1ncc(CN2CCN(C(C)C)[C@H](CCO)C2)cn1 36385732 NDKXDDXJUGBJOD-CQSZACIVSA-N 310.467 1.476 0 40 DDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(C)[nH]c(=O)c3C2)CC1 100751505 ZGTPJZRPFQZCKX-TXEJJXNPSA-N 305.378 1.168 0 40 DDAB CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282857 ZSRHVBNFWKHQMD-DGCLKSJQSA-N 307.398 1.343 0 40 DDAB Cc1ccc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)o1 108532763 BGUXEQZEUSARDV-UHFFFAOYSA-N 312.391 1.132 0 40 DDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccsc3)C2)C1 108528017 RUVGALLXULRCBN-UHFFFAOYSA-N 314.432 1.292 0 40 DDAB Cc1nc(CCNC(=O)Nc2ccc(N(C)C)c(C)c2)n[nH]1 95456133 FXIQFCHZSWOFLG-UHFFFAOYSA-N 302.382 1.852 0 40 DDAB OC[C@H](CNc1ccc2nncn2n1)Cc1ccc(F)cc1 48262363 IDGFTSAIXOEJKA-LBPRGKRZSA-N 301.325 1.527 0 40 DDAB CC(C)C[C@H](NC(=O)[C@H]1COc2ccccc2C1)C(=O)N(C)C 48333640 HALZUUWGXJOGPS-CABCVRRESA-N 318.417 1.857 0 40 DDAB O[C@@H](c1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 12892578 NJTYGHPJPWQTPZ-INIZCTEOSA-N 310.361 1.469 0 40 DDAB Cc1ccc(CCCC(=O)N2CC(OCC(=O)N(C)C)C2)cc1 72313204 CJFJXTUHUMQXPY-UHFFFAOYSA-N 318.417 1.633 0 40 DDAB CC(=O)Nc1ccc2nc(NC(=O)[C@H](C)NC(C)=O)sc2c1 12919191 ZCRMYXBNTHGODC-ZETCQYMHSA-N 320.374 1.718 0 40 DDAB CN(C)c1ncnc2c1CN(C[C@@H](O)c1ccccc1F)CC2 97202587 FCVDBUVRDFHHNR-MRXNPFEDSA-N 316.380 1.773 0 40 DDAB NC(=O)[C@@H](Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 97377318 OBZPMEFKTAFJPC-GJZGRUSLSA-N 300.362 1.701 0 40 DDAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cnn1C(C)(C)C 65541613 SLYQFMCYYSJAQG-ZYHUDNBSSA-N 306.410 1.673 0 40 DDAB CCN(CC)C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 65528622 KMZCWUFLYLADOX-GFCCVEGCSA-N 303.362 1.712 0 40 DDAB CCN1CCCC[C@H]1C(=O)NCCc1nnc2n1CCCCC2 65517095 YHYFMMVUDBUSPT-AWEZNQCLSA-N 319.453 1.538 0 40 DDAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCCO)ccc12 5304291 OLOXBBSNCWPIJZ-UHFFFAOYSA-N 305.330 1.287 0 40 DDAB CC(=O)c1cnn(-c2cc(NCCCN(C)C)nc(C)n2)c1C 5353330 YKAJTQHFSOGUOM-UHFFFAOYSA-N 316.409 1.845 0 40 DDAB O=C(/C=C/c1ccc2c(c1)CCO2)NCc1nnc2ccccn12 14184361 OZUAVORCZQUBOC-FNORWQNLSA-N 320.352 1.994 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2cccc(SC)c2)nn1 6772011 XGZWLAZZRIEPJI-UHFFFAOYSA-N 320.374 1.815 0 40 DDAB CCN(CC(=O)N1CCOCC1)[C@H](C)Cc1ccc(OC)cc1 66885623 KTNKXSCFMLDEFD-OAHLLOKOSA-N 320.433 1.807 0 40 DDAB CSc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6972425 PYGLMMMFVVGQMO-UHFFFAOYSA-N 316.386 1.204 0 40 DDAB C[C@@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCS1(=O)=O 90466005 DRLHXZJLZNIOHA-KBPBESRZSA-N 316.467 1.334 0 40 DDAB CCNC(=O)N1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1 68251119 ZFZHEQSDSBLXBH-UHFFFAOYSA-N 321.396 1.977 0 40 DDAB CCOC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C 16046406 ONPOWAKRBFROTB-UHFFFAOYSA-N 307.331 1.569 0 40 DDAB O=C(NCc1cccnc1)N1CCCC[C@H]1CN1CCOCC1 71893047 ZJCXQVZDDCWXTP-INIZCTEOSA-N 318.421 1.478 0 40 DDAB Cn1c(CN2CCC[C@@H]2C2CCCCC2)cc(=O)n(C)c1=O 71811014 MOFIVTXCRGPKHV-OAHLLOKOSA-N 305.422 1.629 0 40 DDAB CC(C)(C)N1CCN(Cn2ncc3ccccc3c2=O)CC1 71817274 DZBKIBFHHOXRIJ-UHFFFAOYSA-N 300.406 1.770 0 40 DDAB Cc1cnn(C[C@@H]2CN(Cc3nc4ncccc4[nH]3)CCO2)c1 71876624 VVMWDFWQHSUFJJ-ZDUSSCGKSA-N 312.377 1.364 0 40 DDAB CC(C)[C@H]1CCCN1C(=O)CCn1nnc2ccccc2c1=O 71830000 VAZAYGQKAIUIRG-OAHLLOKOSA-N 314.389 1.829 0 40 DDAB C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(C[C@@H](C)O)CC1 71871397 FRAZKQRZYLRHCX-UONOGXRCSA-N 308.397 1.529 0 40 DDAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NC1CCCCCC1 16327251 KYBZNDIDLSVOMG-JTQLQIEISA-N 309.366 1.950 0 40 DDAB COC(=O)CN(CCO[C@@H]1CCCC[C@H]1C)Cc1cnn(C)c1 71899843 VCXPNUAICJLPLV-GDBMZVCRSA-N 323.437 1.990 0 40 DDAB COc1ccc(CCNC(=O)[C@@H](NC(C)=O)C(C)C)cc1OC 8115325 IZUBFRLJKBBXHJ-INIZCTEOSA-N 322.405 1.523 0 40 DDAB O=C(NCCCOC[C@@H]1CCCO1)c1cccc2[nH]ncc12 71903960 GSYPOUZWXNBCEH-LBPRGKRZSA-N 303.362 1.878 0 40 DDAB CCOC(=O)N1CCC(OC(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 69164714 YZNNUGRAEAEQSS-KBPBESRZSA-N 321.377 1.688 0 40 DDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 9647830 AARKSZGWHROZNB-ZDUSSCGKSA-N 309.410 1.792 0 40 DDAB COc1ccc2c(c1)OCC(CN[C@H]1CCc3ncnn3C1)=C2 69491520 QJFHCTDJMGMMJE-AWEZNQCLSA-N 312.373 1.667 0 40 DDAB CC[C@](C)(NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C(=O)OC 69739336 HXXNSBBAKZFUEO-YOEHRIQHSA-N 318.373 1.422 0 40 DDAB COc1ccc(CCNc2ccc3nnnn3n2)cc1OC 8723455 ZOWOMVSNOFVDBC-UHFFFAOYSA-N 300.322 1.191 0 40 DDAB C[C@H](OC(=O)c1cc[nH]c(=O)c1)C(=O)Nc1ccc(Cl)cn1 84069729 ACHHKHBCBGSKCB-QMMMGPOBSA-N 321.720 1.607 0 40 DDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccn(C)c(=O)c1 74092876 KBZCAVOBZCSHAR-NSHDSACASA-N 311.341 1.763 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1cccnc1 95949248 USRGIUWYZCWZTF-SFHVURJKSA-N 323.396 1.714 0 40 DDAB CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(N)=O 95942369 WTAFGNQJHVKBNE-RNCFNFMXSA-N 309.366 1.725 0 40 DDAB NS(=O)(=O)CCC[S@@](=O)Cc1cccc2ccccc12 95964057 MIZBRPGSRZWNRM-IBGZPJMESA-N 311.428 1.767 0 40 DDAB CCOc1cncc(N2CCN(C(=O)c3ccoc3)CC2)n1 89272250 DUUCXXXHTAMOOK-UHFFFAOYSA-N 302.334 1.431 0 40 DDAB COC[C@@H](CCO)NS(=O)(=O)c1cc(OC)ccc1Cl 89409715 LTLMICZFUKWLBH-SECBINFHSA-N 323.798 1.024 0 40 DDAB C[C@H](CS(C)(=O)=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 89632753 HZRPTHFZIJWYEF-CHWSQXEVSA-N 324.446 1.897 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2nnc3n2CCCC3)on1 89608747 JPWVAHQDNWFOIF-GHMZBOCLSA-N 318.381 1.589 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccnc(N(C)C)c1 89904401 UHBRFDQFXMEZGF-LBPRGKRZSA-N 302.382 1.232 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccco1)N(C)C 89904382 WBZFJWXXWJKPSZ-OLZOCXBDSA-N 305.382 1.467 0 40 DDAB CC(C)(C)n1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 75606502 RCFVSSXIOBQMLL-HUUCEWRRSA-N 320.437 1.309 0 40 DDAB Cc1cc(F)cc2[nH]c(C(=O)NCCn3cnnc3C)cc12 76093612 WMIPJNNVYBXTIV-UHFFFAOYSA-N 301.325 1.945 0 40 DDAB COC[C@@H](C)NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235532 QOVVTMLVICVHBL-LLVKDONJSA-N 300.358 1.712 0 40 DDAB CN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CC1 79479704 MDUJEFWBOBTLTD-GFCCVEGCSA-N 323.828 1.120 0 40 DDAB COC(=O)CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 36354814 UTXHZVJCHUMZFP-UHFFFAOYSA-N 316.313 1.163 0 40 DDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1c1cccs1 44867588 MUSIDDCHFMQJSN-NSHDSACASA-N 316.448 1.175 0 40 DDAB O=C(O)C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)c1ccc(F)cc1 565361306 KVOSNUDAWLJGLP-VXGBXAGGSA-N 317.338 1.050 0 40 DDAB CC(=O)N(C)Cc1cncc([C@@H]2CCCN2C2CCOCC2)n1 72387963 DSHBEICZFZCKQH-KRWDZBQOSA-N 318.421 1.771 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCC[C@@H](O)c1cccn1C 217940996 YKVIMOSZQAVZEN-GFCCVEGCSA-N 313.379 1.032 0 40 DDAB C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CCN1C(=O)OC(C)(C)C 189327385 KELRONPQBMGPGO-NXEZZACHSA-N 312.332 1.851 0 40 DDAB C[C@H](NC(=O)c1cscn1)C1(N2CCOCC2)CCCC1 81741190 DIXSFQQPBSYLJY-LBPRGKRZSA-N 309.435 1.906 0 40 DDAB O=C(O)c1ccccc1CCN1CCN(c2cnccn2)CC1 569492005 HDAWJYMVTNAEGW-UHFFFAOYSA-N 312.373 1.540 0 40 DDAB CCN1CN(C(=O)NC[C@H]2CCN(C)c3ccccc32)CC1=O 191897477 UMMRXUYSKLAGBB-CYBMUJFWSA-N 316.405 1.441 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCN[C@H]([C@@H]3CCCO3)C2)Cc2c[nH]nc21 1576763345 QNYKAZRPQZUFTK-UXOAXIEHSA-N 318.421 1.403 0 40 DDAB CC(C)[C@@H](NCCc1ccccc1F)C(=O)N1CCOCC1 138743973 YJBDSZXTVUBYQF-MRXNPFEDSA-N 308.397 1.841 0 40 DDAB Cc1cccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)c1C 223444048 XZLAUBPLOSGXDU-UHFFFAOYSA-N 302.330 1.983 0 40 DDAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1nccnc1N 80995042 FJAYOIHVIRVBSG-LLVKDONJSA-N 300.362 1.771 0 40 DDAB CCc1oc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCCO1 572118064 JDRSYPDHJBDFMA-VIFPVBQESA-N 317.363 1.388 0 40 DDAB CS(=O)(=O)CCC(=O)Nc1cc(Br)ccc1F 81857248 SZCVRTHHIVCFNK-UHFFFAOYSA-N 324.171 1.961 0 40 DDAB C[C@@H]1CCCc2ccccc2[C@H]1NS(=O)(=O)c1cnnn1C 330049123 KNRTVOHCMJYQBP-ABAIWWIYSA-N 320.418 1.807 0 40 DDAB CN(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1 96047969 CCHLESBQPKNWSX-LBPRGKRZSA-N 321.377 1.315 0 40 DDAB Cc1cnc(N2C[C@@H]3OCCN(C(=O)c4ccco4)[C@@H]3C2)nc1 96248740 RYZOHHXNXVMDLH-OCCSQVGLSA-N 314.345 1.108 0 40 DDAB CC(C)N(C)Cc1nnc2n1CCN(Cc1ccncc1)CC2 96058957 WHKDPIZDVLMLHR-UHFFFAOYSA-N 314.437 1.572 0 40 DDAB Cc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)no1 96200997 WDQCCICDCXZWES-CVEARBPZSA-N 314.389 1.765 0 40 DDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCSC1 96436162 DWSDZAPSQRSAGL-HNNXBMFYSA-N 306.431 1.810 0 40 DDAB CCN1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 96301199 SZZYTCBCWARBBI-AWEZNQCLSA-N 305.353 1.095 0 40 DDAB CN(C)C[C@@H]1CN(C(=O)Cc2cccs2)Cc2nccn2C1 96066897 ZQEZOEWBAUZMJY-ZDUSSCGKSA-N 318.446 1.707 0 40 DDAB Cc1nccn1-c1cncc(N2CCC[C@H]2C(=O)NC2CC2)n1 97104394 YVKYKTOYCCJNOF-ZDUSSCGKSA-N 312.377 1.218 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(N)COC 242522190 ILLLMTZITQXMCB-JHJVBQTASA-N 303.811 1.584 0 40 DDAB Cc1nc(O)cc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257207538 BIFHVTOKWQJPHG-AWEZNQCLSA-N 314.345 1.028 0 40 DDAB Cc1cnn(CC(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)c1 257329483 XKDVXPBNSWOIGX-UONOGXRCSA-N 304.394 1.051 0 40 DDAB O=C(c1cc2c(s1)CCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 257215101 CORSOCBRWLSQNQ-CHWSQXEVSA-N 306.431 1.518 0 40 DDAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C(C)C 257221826 DQRJYNNFBMBCEA-INIZCTEOSA-N 317.433 1.144 0 40 DDAB CNc1cc(CC[C@H]2CN(C(=O)c3ccon3)CCO2)ccn1 257344879 ZZAGMUVDYXZSHF-ZDUSSCGKSA-N 316.361 1.585 0 40 DDAB COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1c1ccn[nH]1 257325869 WUUGZSHSYQAFIJ-HNNXBMFYSA-N 315.373 1.869 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257287508 PQGSAQSNPBTJBM-CYBMUJFWSA-N 314.389 1.447 0 40 DDAB O=C(c1cccnn1)N1CCC(c2cc(O)n3nccc3n2)CC1 257318466 VOBCTCLDWCQFCD-UHFFFAOYSA-N 324.344 1.245 0 40 DDAB CCc1nnc2ccc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)nn12 253430883 ONOMPDQXLIJEFQ-WBMJQRKESA-N 317.393 1.461 0 40 DDAB Cc1nc(CC(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cs1 257257315 KPAFFVYERGEWLP-UMVBOHGHSA-N 320.418 1.461 0 40 DDAB CCCNC(=O)CN1CCC(NC(=O)C2CC(C)(C)C2)CC1 505321205 RQHMIWBIVAGCBP-UHFFFAOYSA-N 309.454 1.529 0 40 DDAB Cn1nccc1[C@H]1COCCN1Cc1cccc(C(=O)O)c1 650513861 LRFKPSBEPSHTLV-OAHLLOKOSA-N 301.346 1.692 0 40 DDAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2CC1(O)CCOCC1 585262847 LWIJCKUFPFDOFL-IRXDYDNUSA-N 324.465 1.783 0 40 DDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccc(-c2ccccc2)[nH]1 585267316 WTBXDTCPTBJZIR-FVQBIDKESA-N 300.358 1.686 0 40 DDAB CN1C[C@@H](CO)CC12CN(C(=O)c1ccc(F)c(Cl)c1)C2 585094006 YOMUGOJHASEWFZ-JTQLQIEISA-N 312.772 1.618 0 40 DDAB Cc1cc(N2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)ncn1 585182021 DTGREDUUOIFCOK-NSHDSACASA-N 321.406 1.643 0 40 DDAB O=C(c1ccoc1)N1CCN(C[C@H](O)c2ccccc2)CC1 28921908 WCTBJHGYPVTGFF-INIZCTEOSA-N 300.358 1.771 0 40 DDAB O=C(O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327731 SGHFOSLAIOLGNO-MRXNPFEDSA-N 303.314 1.488 0 40 DDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)n1 1065954190 FIQAJSAIYMUZJA-OKILXGFUSA-N 309.373 1.388 0 40 DDAB Cc1ccc(N2CC[C@@H](Nc3ncnc4[nH]cnc34)C2=O)cc1 76063563 LGIJKPFBLMEUOZ-GFCCVEGCSA-N 308.345 1.879 0 40 DDAB Cc1ncsc1/C=C\C1=C(C(=O)O)N2C(=O)C(N)=C2SC1 1560407677 PKJPEOAWXHZDNY-IHWYPQMZSA-N 321.383 1.520 0 40 DDAB CC(C)n1c(=O)n(CC(=O)NC2CCCC2)c2cccnc21 12220590 NZYUBNHKPSSBIS-UHFFFAOYSA-N 302.378 1.838 0 40 DDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2 12345418 CZVNJTAOJYOTLT-HNNXBMFYSA-N 315.373 1.563 0 40 DDAB COc1cc(C)c(S(=O)(=O)NCCCN(C)C)cc1C 18005009 WXBMXBBEHDUXQI-UHFFFAOYSA-N 300.424 1.542 0 40 DDAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c(OC)c1 19575251 VWIYNOSNUHBASB-VHDGCEQUSA-N 306.406 1.343 0 40 DDAB CCN(C(=O)CCc1c(C)nc(N)nc1C)C1CCN(C)CC1 19657595 BPEQCQJBUVMUPZ-UHFFFAOYSA-N 319.453 1.551 0 40 DDAB COCC(=O)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19687645 INNDSNBIGGVHIR-OAHLLOKOSA-N 314.345 1.085 0 40 DDAB CCCCCCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4250696 LSUATVLDFJGXEV-UHFFFAOYSA-N 317.393 1.575 0 40 DDAB Cc1nc2ccccc2nc1N1CC[C@H](N(C)S(C)(=O)=O)C1 1888863816 YJFHFFUKBMGSRO-LBPRGKRZSA-N 320.418 1.408 0 40 DDAB CN1C[C@]2(CCN(C(=O)c3ccc(F)cc3)C2)COCC1=O 2037984551 FMZMVMFRXJIREO-INIZCTEOSA-N 306.337 1.147 0 40 DDAB Cc1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 265489141 FULYTVIDNGHFKI-UHFFFAOYSA-N 318.402 1.296 0 40 DDAB O=C([C@H]1CCOC1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 1565551220 BHDWHVFJNNHDGG-LRDDRELGSA-N 320.414 1.740 0 40 DDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(O)cc1 4717304 OUQPZOWPESVZQS-NEPJUHHUSA-N 320.374 1.614 0 40 DDAB CCOC(=O)CCC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 35597674 QRGJEZOOFXAQOS-UHFFFAOYSA-N 321.377 1.996 0 40 DDAB CCCc1ccc(C(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1 585148707 CKJNINIBXCYQAV-UHFFFAOYSA-N 314.385 1.860 0 40 DDAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 585387557 ATCNPFRPRICSQW-CYBMUJFWSA-N 305.403 1.988 0 40 DDAB O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(O)cc2c1 2525495 IJMIXVXSQKGSPW-UHFFFAOYSA-N 304.301 1.039 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](C)CO1 40501701 QFPWWYZXBGVEJW-GHMZBOCLSA-N 324.402 1.369 0 40 DDAB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1-n1cnnn1 40510338 IZHXAZXGSIINHM-RYUDHWBXSA-N 301.350 1.220 0 40 DDAB CCOc1ccc(OC[C@H](O)CN(CC)CC(=O)N(C)C)cc1 51768752 MXXCBTLJYJWTEH-CQSZACIVSA-N 324.421 1.235 0 40 DDAB C[C@H](NS(=O)(=O)c1cccc2nonc12)c1cccnc1 32578707 ZUPWCWMZVGEOIM-VIFPVBQESA-N 304.331 1.657 0 40 DDAB Cn1ncc2c(N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)ncnc21 52314537 KTXKQLCOJVMZAU-STQMWFEESA-N 317.393 1.528 0 40 DDAB O=C(CN1CCSC1=O)NCCCc1nc2ccccc2[nH]1 22490527 DGVLIYGXJGONFH-UHFFFAOYSA-N 318.402 1.781 0 40 DDAB CCOC(=O)c1[nH]c(CN2CCOCC2)c(C(=O)OCC)c1C 23640612 QFKSWQIQOWXMQA-UHFFFAOYSA-N 324.377 1.509 0 40 DDAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN(C)C 294039 NAQTXSMZEHOPSG-UHFFFAOYSA-N 319.361 1.853 0 40 DDAB O=C(/N=c1/sccn1Cc1ccccc1)c1ccc(=O)[nH]n1 105382167 NEMJGPIENWZMAC-FOCLMDBBSA-N 312.354 1.422 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C[C@]23C=C[C@H]1O3 488188 MCUHIBYSSDHIOM-BASYENTBSA-N 313.353 1.845 0 40 DDAB biogenic C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)C 47651906 AVYQTYRKRCOTKM-QMMMGPOBSA-N 324.324 1.460 0 40 DDAB CC1(C)CCC(=O)N[C@@H]1CC(=O)C[C@H]1NC(=O)CCC1(C)C 1653180 QSRWDLIAAKFUEJ-CHWSQXEVSA-N 308.422 1.945 0 40 DDAB in-vitro CC(=O)c1cccc(OC[C@H](O)CN2C[C@@H](C)OC[C@@H]2C)c1 106049640 LHSVOHWKTNZZOE-WOSRLPQWSA-N 307.390 1.738 0 40 DDAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2710737 OKYZJIQYDLQHOI-IUCAKERBSA-N 310.350 1.643 0 40 DDAB COc1ccc(OC)c(Nc2ccc(S(C)(=O)=O)nn2)c1 1397781 DUMYHGRPWRVBBC-UHFFFAOYSA-N 309.347 1.641 0 40 DDAB COCCn1nc(C(=O)NC[C@H](C)c2ccccc2)ccc1=O 25714630 DWGQOSCLVPOMRM-ZDUSSCGKSA-N 315.373 1.423 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CN(C)CCO1 107514812 BOEHDHPPXUULKC-NVXWUHKLSA-N 317.433 1.574 0 40 DDAB Cc1cccc(OCCNC(=O)CN2CCn3ccnc3C2)c1 97201565 YCYQGJKIEBRTEZ-UHFFFAOYSA-N 314.389 1.202 0 40 DDAB CN1N=C(C(=O)NCCc2c[nH]c3cc(F)ccc23)CCC1=O 50766719 MRGZUYATZCPMOR-UHFFFAOYSA-N 316.336 1.574 0 40 DDAB O=C(N[C@H]1CCN(C2CC2)C1)c1ccn(-c2cccc(F)c2)n1 57554934 ZNAFGOJVXHMHMX-ZDUSSCGKSA-N 314.364 1.978 0 40 DDAB CCc1ccc2c(CN(C)CC(=O)N(C)C)cc(=O)oc2c1 57896125 HRTDKKRDUVZXIE-UHFFFAOYSA-N 302.374 1.875 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 44890112 TUZJVIUGOFKUQT-CYBMUJFWSA-N 316.361 1.020 0 40 DDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 170611245 SAYJXZPKFMGAKR-BFHYXJOUSA-N 324.384 1.510 0 40 DDAB CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 3245403 KBXWEZQBJZJGQQ-UHFFFAOYSA-N 323.443 1.712 0 40 DDAB CCCn1nc(C(=O)NCc2ccc(OC)cc2)ccc1=O 11781885 QIOPSWKIEKILPV-UHFFFAOYSA-N 301.346 1.592 0 40 DDAB COc1cc(CCC(=O)N2CCC(C(N)=O)CC2)cc(OC)c1 29632312 SWCPNSYFYOVVDZ-UHFFFAOYSA-N 320.389 1.360 0 40 DDAB COc1ccc(F)cc1C[S@@](=O)C[C@H](C)CS(C)(=O)=O 95410995 AJADDZMITREZNG-APBUJDDRSA-N 322.423 1.764 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)Cn2ccnc2)n1 47265022 LDDIJKTZFDWALT-LBPRGKRZSA-N 305.407 1.587 0 40 DDAB Nc1nc(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ncc1F 107571880 AZDPEDKTFKQHBN-UHFFFAOYSA-N 309.217 1.453 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@@H](OC(C)=O)C[C@@H]21 103921758 YIKPHGGPWWGXSQ-HTFCKZLJSA-N 306.314 1.013 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 12600422 VVTLXLWQSNFKML-TXEJJXNPSA-N 307.394 1.641 0 40 DDAB CCN1C(=O)C(=NNc2cccc(Cl)c2)C(=O)N(CC)C1=O 103462155 JNOJPAVZAYGYSZ-UHFFFAOYSA-N 322.752 1.939 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@H](O)c1ccc2c(c1)OCO2 48374031 KPGWZMSVUBYNAM-JTQLQIEISA-N 316.269 1.559 0 40 DDAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCNC(=O)C1 12883989 YYYQUQWKVZNSST-HNNXBMFYSA-N 320.433 1.464 0 40 DDAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCNC(=O)C1 3540175 DAQLQJHUYSHONM-QMMMGPOBSA-N 316.188 1.752 0 40 DDAB CC1(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCC1 96011031 VPGSCVGAZAUINB-ZDUSSCGKSA-N 302.378 1.819 0 40 DDAB Nc1c(Br)cc(Br)cc1-c1nnn[nH]1 13810319 TWLOJENVCJQGFQ-UHFFFAOYSA-N 318.960 1.974 0 40 DDAB O=C(O)C[S@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 5249074 JRFTZOQBJKTCJV-FQEVSTJZSA-N 309.265 1.477 0 40 DDAB COc1c(CN[C@@H](C(=O)N(C)C)c2ccccc2)c(C)nn1C 65496471 JHANIOBSDQIGKL-OAHLLOKOSA-N 316.405 1.656 0 40 DDAB Cc1oc(-c2cccs2)nc1CC(=O)NC(C)(C)C(N)=O 65411601 VJFNPEKHBFSBQR-UHFFFAOYSA-N 307.375 1.634 0 40 DDAB CC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C 65547578 RWZPBXIXAUTSJH-YPMHNXCESA-N 317.389 1.414 0 40 DDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1C 5392140 JKJJPJLTOYQHEO-UHFFFAOYSA-N 317.418 1.994 0 40 DDAB CCN(CC)Cc1ccc(CNC(=O)c2nccnc2N)cc1 14137610 CBXYTMNYIFWJRO-UHFFFAOYSA-N 313.405 1.831 0 40 DDAB Cn1cc([C@@H]2CCCN2CC(=O)NCCc2cccs2)cn1 71797307 GYMFLFOHVAJDFG-HNNXBMFYSA-N 318.446 1.977 0 40 DDAB COC(=O)N1CCC(NC(=O)NOCc2ccccc2)CC1 66357489 ZIEBLFMWVZSNTO-UHFFFAOYSA-N 307.350 1.648 0 40 DDAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC(N)=O 4878880 QLKAJDWQWJKQOZ-ZCFIWIBFSA-N 309.326 1.286 0 40 DDAB CC(=O)NCCNC(=O)CN1CCC[C@H](c2ccccc2)CC1 66898404 LIKLHAYAYNFTQQ-KRWDZBQOSA-N 317.433 1.508 0 40 DDAB Cc1cc(C)n2c(SCC(=O)NC[C@H]3CCCO3)nnc2n1 9515899 USAZBSMWQFAQIA-LLVKDONJSA-N 321.406 1.128 0 40 DDAB Cc1ccc(CNCCCN2C(=O)NC3(CCCC3)C2=O)o1 15184185 ZIZDKPVOHXQISW-UHFFFAOYSA-N 305.378 1.932 0 40 DDAB C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O 71897384 PYTLLBKVIRTRJJ-JOYOIKCWSA-N 311.769 1.297 0 40 DDAB C[C@H](C(N)=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15524120 LFFKKAADPVNRLT-SNVBAGLBSA-N 316.327 1.486 0 40 DDAB C[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)Cc1cccs1 84640894 RUAOARXLEFIZHE-VXGBXAGGSA-N 309.435 1.847 0 40 DDAB CNC(=O)C1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 68387316 RHSLFGDAPCHPHM-ZDUSSCGKSA-N 317.433 1.758 0 40 DDAB O=C(CN1CCc2ccccc2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 7734961 ZUULMEFMGJGKEC-UHFFFAOYSA-N 322.368 1.853 0 40 DDAB COc1cccc(N2CCN(C(=O)c3snnc3C)CC2)c1 7962204 PYWXVGLWVPAHEN-UHFFFAOYSA-N 318.402 1.818 0 40 DDAB CN1CCO[C@@H](C(=O)NCC2(c3ccc(F)cc3F)CC2)C1 95446827 WDIUNPPRCMRWCA-CQSZACIVSA-N 310.344 1.443 0 40 DDAB Cc1cccc(CC(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 69581950 CPWCRMAZDLURDX-UHFFFAOYSA-N 317.433 1.160 0 40 DDAB CCc1noc([C@H](C)N2CCN(CCc3ccccn3)CC2)n1 69583123 XINWHBULQOZHSH-AWEZNQCLSA-N 315.421 1.948 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 69569714 ASEMFPBNRTYRCE-CQSZACIVSA-N 316.405 1.880 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69629679 VUJZRLCYPZANPV-SZNDQCEHSA-N 308.447 1.594 0 40 DDAB COc1cccc(CS(=O)(=O)N[C@H]2CCCn3ncnc32)c1 97013367 JPRQAQXCIWGGEF-ZDUSSCGKSA-N 322.390 1.241 0 40 DDAB CC(C)CNC(=O)c1cccc(CNC[C@H]2CN(C)CCO2)c1 69738530 JRRSQSBBKLQVDQ-KRWDZBQOSA-N 319.449 1.493 0 40 DDAB O=C(NCc1ccc(=O)[nH]c1)C1(c2ccccc2)CCOCC1 72288697 PGKCTFDDOLFJIX-UHFFFAOYSA-N 312.369 1.740 0 40 DDAB CC[C@H](C)c1ccccc1OCC(=O)NC[C@@H]1CCC(=O)N1 69875434 NMKHHQHFLJVKNU-STQMWFEESA-N 304.390 1.974 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc2cccnc12 21668966 LLUYACLSNKHFLJ-ZDUSSCGKSA-N 319.386 1.597 0 40 DDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCN1CCCC1 69902572 XPCYCOCTIYWUMT-AWEZNQCLSA-N 309.454 1.674 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)CN2CSCC2=O)no1 72299401 IEPYDCZZSZHQMW-JTQLQIEISA-N 324.406 1.389 0 40 DDAB Cn1cc(N2CC[C@@H](NC(=O)CCc3ccsc3)C2=O)cn1 98010387 BPDCUXOXAPBAEW-CYBMUJFWSA-N 318.402 1.336 0 40 DDAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)C1CCN(C(C)=O)CC1 88269401 JRVCRSGUTBQFJG-LSDHHAIUSA-N 324.421 1.483 0 40 DDAB O=C(NCCn1cccc1)NC[C@H]1COC2(CCCCC2)O1 95986862 OOIFNTBHNOFXQH-AWEZNQCLSA-N 307.394 1.863 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1nccn1CC(C)C 95986181 DZMYXAORYLPRQZ-UHFFFAOYSA-N 312.395 1.622 0 40 DDAB O=C(O)[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCOC1 85856071 GOMHDSJKOGWCKR-LLVKDONJSA-N 323.729 1.001 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCC(=O)NC(C)(C)C 9918310 QTMDQMMVXWKJMP-UHFFFAOYSA-N 322.453 1.729 0 40 DDAB COC(=O)N1CC(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 89478410 LVPROGMASWBRQS-QMMMGPOBSA-N 314.288 1.299 0 40 DDAB CS(=O)(=O)c1ccc(OCCNCc2cccc(O)c2)cc1 75133452 PAXKEEZUPZTNAG-UHFFFAOYSA-N 321.398 1.964 0 40 DDAB Cc1ccc(C(=O)Cn2c(=O)n3nnnc3c3ccccc32)cc1 89629593 SKJHEGSUJXSOMI-UHFFFAOYSA-N 319.324 1.631 0 40 DDAB O=C(CC[C@@H]1CCCO1)N[C@@H]1CCCN(c2cccnn2)C1 89794303 VMUNHHTWLQHJOB-KGLIPLIRSA-N 304.394 1.521 0 40 DDAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c1C 20491376 SBHXSSSPTVLBAN-INIZCTEOSA-N 320.433 1.909 0 40 DDAB O=C(CN[C@@H]1CCc2ncnn2C1)NCCC1=CCCCC1 75603352 FZJDCCBKAXLDMA-CQSZACIVSA-N 303.410 1.189 0 40 DDAB C[C@@H]1CS(=O)(=O)CCN1Cc1ccn(-c2ccc(F)cc2)n1 75765454 RWSKESHRGCJNQE-GFCCVEGCSA-N 323.393 1.630 0 40 DDAB CCN(C(=O)CN1CCCN(c2nc(C)ns2)CC1)C1CC1 75967404 WROWMGIXTRVWHJ-UHFFFAOYSA-N 323.466 1.370 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCc2cccnc2)C1 76019330 OIIYQIGXWZUFAS-UONOGXRCSA-N 310.419 1.486 0 40 DDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnn3c2CCC3)C1 1548973584 BFUBHJFHECXLRF-ZWNOBZJWSA-N 301.350 1.155 0 40 DDAB COC[C@@H](O)COc1ccccc1I 180775844 RZSSLHOLDNHGTA-MRVPVSSYSA-N 308.115 1.677 0 40 DDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(F)c2)s1 36182902 JEFODWACELOJRN-UHFFFAOYSA-N 316.339 1.436 0 40 DDAB C[C@H](C(=O)O)N(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 521365982 GBAAOWGIKNQBNN-SNVBAGLBSA-N 310.325 1.207 0 40 DDAB CC(C)(CNC(=O)N[C@H]1CCc2nc[nH]c2C1)CN1CCCC1 555176537 BPNQOBQMTWUBRD-ZDUSSCGKSA-N 319.453 1.688 0 40 DDAB COC(=O)c1cn(Nc2cccc(Cl)n2)cc2c(O)nnc1-2 524734234 LKCHGPKYBZAZHZ-UHFFFAOYSA-N 319.708 1.799 0 40 DDAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 524731379 VKXBPKXICJIILW-LLVKDONJSA-N 313.309 1.863 0 40 DDAB biogenic C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)NC(N)=O 32857855 TZFSQGOVACKURY-VIFPVBQESA-N 306.391 1.874 0 40 DDAB CN1CCCC[C@H](C2CCN(Cc3cnn(C)c3)CC2)C1=O 72372022 NPMVEPITUGMZND-MRXNPFEDSA-N 304.438 1.891 0 40 DDAB CCCn1c(C)nnc1CN1CCC[C@H]1c1ccc(O)nn1 528791852 HEDSNRFZLQBUIL-ZDUSSCGKSA-N 302.382 1.829 0 40 DDAB CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(C)[C@@H]2CO)cc1 72321453 WFDHUDKZLYLOQS-UKRRQHHQSA-N 321.377 1.107 0 40 DDAB biogenic,in-vitro O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1Cc1ccccc1 38712237 BHUIKMWTNASXJE-CVEARBPZSA-N 316.401 1.551 0 40 DDAB CC[C@H](C(=O)Nc1cccc([S@](C)=O)c1)N1CCCC1=O 74364721 IXIOPBVLKHMEGJ-LRTDBIEQSA-N 308.403 1.764 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)COC 218463284 HVXSZJKHIWFJJU-BFHYXJOUSA-N 317.838 1.832 0 40 DDAB CCn1cncc1C(=O)N1CCC[C@]1(C)C(=O)NC1CCCC1 72392249 AGLXRMQGRKZFMM-QGZVFWFLSA-N 318.421 1.957 0 40 DDAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccc2nnnn2c1 79477890 HIZGZRPNLULBFX-QMMMGPOBSA-N 317.334 1.080 0 40 DDAB N[C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc2c(c1)OCO2 72227633 LFBDARJRDSQXOR-CABCVRRESA-N 300.289 1.970 0 40 DDAB O=C(Cc1ccc(F)cc1)NC1CCN(C[C@@H]2CCOC2)CC1 72290306 JCTQDAFAHBUAMD-HNNXBMFYSA-N 320.408 1.985 0 40 DDAB CN(C)C(=O)[C@]1(C)CN(Cc2cccc3[nH]ccc23)CCO1 72379928 AKRIASQXZCLZCN-KRWDZBQOSA-N 301.390 1.847 0 40 DDAB COCc1noc(-c2ccc(S(=O)(=O)C(F)F)cc2)n1 78774794 MNXWBVDNLOIJQE-UHFFFAOYSA-N 304.274 1.879 0 40 DDAB Cc1cc(Br)cc(S(=O)(=O)N(C)C[C@H](C)O)c1 187721680 CZTFOVVXEIEBMU-VIFPVBQESA-N 322.224 1.759 0 40 DDAB CC(=O)c1cccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)c1 223444600 DEWYRICBCAMQGW-UHFFFAOYSA-N 316.313 1.569 0 40 DDAB O=S1(=O)CCN(C2CCN(Cc3ccsc3)CC2)CC1 190990237 PBNDWOLVQKDQOJ-UHFFFAOYSA-N 314.476 1.443 0 40 DDAB O=C(NCC1(CN2CCOCC2)CCCCC1)Nc1cn[nH]c1 96459098 UEXYHCQABOZUHJ-UHFFFAOYSA-N 321.425 1.814 0 40 DDAB Cc1nncn1CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 96445325 VFBVJOHFZCCPBU-NEPJUHHUSA-N 306.316 1.785 0 40 DDAB O=C(C1CC1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 96110380 KGERTDNLGXOEJB-WBVHZDCISA-N 302.374 1.878 0 40 DDAB O=C(O)C1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 96515976 CQTAHEZEPOFFRU-UHFFFAOYSA-N 302.330 1.752 0 40 DDAB COCCn1cc2c(n1)[C@H](CNCc1ccsc1)OCC2 96044292 NPKRWAWDAJRGOD-AWEZNQCLSA-N 307.419 1.995 0 40 DDAB C[S@](=O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1 96434704 DOPIEFRRAXVEEF-OAQYLSRUSA-N 310.354 1.511 0 40 DDAB O=S(=O)(NCCN[C@@H]1CCCSC1)c1cccs1 97370879 IJTQUUCBTVDDDR-SNVBAGLBSA-N 306.478 1.512 0 40 DDAB O=C(c1cccnc1)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 96239111 IWVLJAZEDFCPGD-SFHVURJKSA-N 322.368 1.746 0 40 DDAB Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)nn1 96246197 YFTMBECETJNNPH-LSDHHAIUSA-N 323.400 1.779 0 40 DDAB COc1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OC)ccc1F 248143145 RARDBAJGFMINOJ-KCQAQPDRSA-N 309.337 1.853 0 40 DDAB CC1CCN(C(=O)CN2[C@H]3CC[C@H]2c2snnc2C3)CC1 247814511 BSIDZDXAKKSHHL-AAEUAGOBSA-N 306.435 1.858 0 40 DDAB CCCn1ccc(C(=O)N2CCO[C@H](c3ccccn3)C2)n1 257218868 DEQVKQWCXHZXKB-HNNXBMFYSA-N 300.362 1.902 0 40 DDAB Cc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1 257320948 VZLATDRSPCMCRR-ZDUSSCGKSA-N 307.375 1.480 0 40 DDAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3ncon3)C2)cc1 253472044 IMFKWSVLTWEHIZ-GFCCVEGCSA-N 300.318 1.658 0 40 DDAB CNc1cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)ccn1 257282928 OVXJSZFXNXZGNX-OAHLLOKOSA-N 302.422 1.925 0 40 DDAB c1cn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCOCC2)cn1 253476828 BOPKJIKXOJLDEX-BBWFWOEESA-N 305.422 1.789 0 40 DDAB C[C@@]1(c2ccnc3ccnn23)CCCN1C(=O)CCC(=O)O 257317924 VLSVHPYHQQUWFC-HNNXBMFYSA-N 302.334 1.432 0 40 DDAB Cc1nc(C(=O)N2CCC[C@@H]2c2cncc(CN(C)C)n2)co1 257260309 LCGYWKIFVYMSMN-OAHLLOKOSA-N 315.377 1.812 0 40 DDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)s1 257259560 KYXNITQXYFULEA-YRGRVCCFSA-N 310.419 1.010 0 40 DDAB Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257203476 AQGATBJOISKBRG-IIAWOOMASA-N 321.421 1.789 0 40 DDAB O=C(CCc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1 257260241 LBXQVHAGFUWKAW-RDJZCZTQSA-N 307.365 1.901 0 40 DDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257257485 KPUXYLRXVAELQE-ZDUSSCGKSA-N 320.418 1.636 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N1CCc2[nH]ncc2C1 299286203 FRJHGODPRBMHPF-UHFFFAOYSA-N 309.320 1.746 0 40 DDAB COc1cccc([C@@H](CNC(=O)C(=O)NC2CCCC2)OC)c1 96390422 VICXIDCBMNMTOQ-OAHLLOKOSA-N 320.389 1.558 0 40 DDAB C=CC(=O)N1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 585291050 IQLNFKQUOWADKF-CYBMUJFWSA-N 309.373 2.507 0 40 DDAB COCC[C@@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1 585095310 OTMDUSZYXDQJHV-ZDUSSCGKSA-N 300.362 1.587 0 40 DDAB O=C(c1cncnc1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585278815 HAYWEZJNYYNDEI-CZUORRHYSA-N 315.348 1.681 0 40 DDAB COCCNC(=O)N1CCC(NC(=O)c2ccoc2C)CC1 67358568 MRZAIUQAHKXHPP-UHFFFAOYSA-N 309.366 1.138 0 40 DDAB CCC(=O)N1CCN(c2ccc(-c3noc(C)n3)cn2)CC1 44094029 RKNPCYHGFGNPEZ-UHFFFAOYSA-N 301.350 1.499 0 40 DDAB CNC(=O)c1cc(NC(=O)NCc2cnn(C)c2)ccc1Cl 54438974 HLCWPLHVVQKLFZ-UHFFFAOYSA-N 321.768 1.755 0 40 DDAB Cc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1 55785851 ZUKZLCUFSFHUBI-UHFFFAOYSA-N 302.378 1.328 0 40 DDAB CCOC(=O)C1(NC(=O)Cc2c(C)nn(C)c2C)CCCCC1 58410368 KVXQHDBBRYXBBP-UHFFFAOYSA-N 321.421 1.962 0 40 DDAB O[C@H](CN1CCn2c(nnc2C2CC2)C1)c1ccc(F)c(F)c1 84341061 DEAVUNUJNMMBBY-CQSZACIVSA-N 320.343 1.983 0 40 DDAB CC(C)c1nnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)s1 301674833 HAXTYXSDEOQBLF-LBPRGKRZSA-N 324.450 1.737 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O 13165030 VANPHHLNAYJHEL-SDDRHHMPSA-N 323.393 1.127 0 40 DDAB CC(=O)N1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21 14162539 HVTGBAYPLVRETJ-KRWDZBQOSA-N 307.309 1.588 0 40 DDAB COc1cccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2S(C)(=O)=O)c1 100112286 SBAAUBGVNGZMFD-SLEUVZQESA-N 311.403 1.887 0 40 DDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N(C)C1CCCCC1 5229295 GCJYHVONZRYMRW-VIFPVBQESA-N 309.439 1.913 0 40 DDAB O=C([C@H]1CN(c2nnc(C3CC3)s2)CCO1)N1CCCCC1 1888850378 HKCJFOGHIJZYRP-GFCCVEGCSA-N 322.434 1.633 0 40 DDAB NC(=O)c1cc(OC2CN(C(=O)[C@@H]3CC=CCC3)C2)ccn1 1889108963 UMIJMHXLQTUKOK-LLVKDONJSA-N 301.346 1.126 0 40 DDAB COc1ccc2cc(C(=O)N3CC(Nc4ncccn4)C3)[nH]c2c1 238876615 OEZNPPINCZQANH-UHFFFAOYSA-N 323.356 1.903 0 40 DDAB Cc1cc(N2CCO[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@H]32)ccn1 2056224981 NEFXSWVASBYIGI-JYJNAYRXSA-N 315.417 1.852 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)c3ccncc3OC)CC[C@@H]2C1 1565551478 RADKNYVEKPXOQR-CJNGLKHVSA-N 319.405 1.273 0 40 DDAB Cc1cc(C)cc(C(=O)N2CC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c1 1565542156 XODFQMPSGLTKEK-HIFRSBDPSA-N 322.430 1.409 0 40 DDAB COC1(CC(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)CCC1 1565549921 JOFHZWIVMWQOMZ-RHSMWYFYSA-N 320.433 1.853 0 40 DDAB COc1cccc(-c2noc(C(=O)NC[C@H]3CCCO3)n2)c1 1428898 WYKCQDAWHSPBAA-GFCCVEGCSA-N 303.318 1.654 0 40 DDAB O=C(c1ccc(C(F)(F)F)nc1)N1C[C@H]2C[C@H]1CS2(=O)=O 575617028 VIQAANRYSTUMTG-DTWKUNHWSA-N 320.292 1.112 0 40 DDAB O=S(=O)(NC[C@]1(O)C=CCCC1)c1cccc2cccnc12 618255893 BNKYFWJJUOXOFU-INIZCTEOSA-N 318.398 1.984 0 40 DDAB COc1ccc(OC)c(NC(=O)COc2c(C)occc2=O)c1 40267247 PRUJLPUOTMTYGH-UHFFFAOYSA-N 319.313 1.983 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)O)cc(OCC(=O)O)c12 41301 KHIRWZSABYLNKT-UHFFFAOYSA-N 308.242 1.028 0 40 DDAB biogenic O=C(O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 20200928 KVVPTNITOZQRNL-RYUDHWBXSA-N 308.378 1.101 0 40 DDAB CN1CCN(CN2C(=O)S/C(=C/c3ccncc3)C2=O)CC1 20311146 MRYACIJNRADXOA-JLHYYAGUSA-N 318.402 1.323 0 40 DDAB Cc1ccc(Cl)c2c1N(CCN1CCOCC1)C(=O)C2=O 20591579 ZIQWSDVGTKHGSF-UHFFFAOYSA-N 308.765 1.510 0 40 DDAB O=C(CCn1ccc(C(=O)O)n1)NCc1ccccc1Cl 20614501 HVRDIPQDEBRXTM-UHFFFAOYSA-N 307.737 1.941 0 40 DDAB CC(C)Oc1ccc(C(=O)NC[C@H](C)N2CCOCC2)cn1 32650231 QAMXAFMXIZGGPT-ZDUSSCGKSA-N 307.394 1.319 0 40 DDAB COc1ccc(CCNC(=O)CN2CCCCCC2=O)cc1 21322099 GUAIANYZNRUDLC-UHFFFAOYSA-N 304.390 1.757 0 40 DDAB CCCCNC(=O)Cc1noc(CSc2nncn2CC)n1 32913790 ZSKZNHXNDOIJBN-UHFFFAOYSA-N 324.410 1.432 0 40 DDAB COCCN(CCOC)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 21998960 SYCNQPJPYNRCSC-CYBMUJFWSA-N 324.352 1.373 0 40 DDAB CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCOCC1 33428834 MZLYGXOFMNYZOW-AWEZNQCLSA-N 301.394 1.850 0 40 DDAB Cc1cc(C)cc(C2(C(=O)Nc3cnn(CC(N)=O)c3)CC2)c1 53414483 ZXNRTKROWAQRAP-UHFFFAOYSA-N 312.373 1.656 0 40 DDAB c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)no1 23248877 NZMAPBQBAAUCEH-UHFFFAOYSA-N 302.334 1.116 0 40 DDAB C[C@H]1CN(CCCNc2ncnc3c2cnn3C)C[C@H](C)O1 23619452 XEKRMVCLWBRCAZ-RYUDHWBXSA-N 304.398 1.275 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(OC)c1 569487 UOKPKIWBBRGJII-UHFFFAOYSA-N 320.378 1.219 0 40 DDAB COc1cc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)cc(OC)c1 92703193 IYVYUJJOSRBAJS-HOTGVXAUSA-N 304.390 1.947 0 40 DDAB O=S(=O)(c1cccc2nsnc12)N1CCN2CCC[C@@H]2C1 55056231 ILXPDKSMWMDWNY-SNVBAGLBSA-N 324.431 1.160 0 40 DDAB Cc1ccsc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24690249 PDKQVEMGMLXLHN-NSHDSACASA-N 316.448 1.600 0 40 DDAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1nncs1 43129359 RBKHGUWRNXHOOJ-UHFFFAOYSA-N 320.378 1.091 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 79018128 OHCYCLYVVSZLSH-MJBXVCDLSA-N 316.467 1.695 0 40 DDAB CCOc1cccc(N2CCN(c3nccc(OC)n3)CC2)n1 106487696 OWFDRPGQNONTQO-UHFFFAOYSA-N 315.377 1.606 0 40 DDAB CC(=O)N[C@H](C(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C 25329424 NGPIKIUQYUYXQS-KBPBESRZSA-N 311.451 1.628 0 40 DDAB CCOc1ccc([C@H](C)NC(=O)c2ccc(=O)n(C)n2)cc1 26049700 STJOHSUDGOHTOO-NSHDSACASA-N 301.346 1.670 0 40 DDAB Cn1cc(NC(=O)NC[C@@H](O)C2CC2)c(-c2ccncc2)n1 95468887 ASZSLMDIIYASBL-CYBMUJFWSA-N 301.350 1.375 0 40 DDAB Cc1cccc(OCCCCC(=O)N2CC[C@H](C(N)=O)C2)c1 57432365 XRJOYFNXGOGYHH-AWEZNQCLSA-N 304.390 1.878 0 40 DDAB O=C(NCc1ccccn1)N1CCN(C[C@H]2CCCO2)CC1 57769548 VVPXOMQFZFPXHW-OAHLLOKOSA-N 304.394 1.088 0 40 DDAB CCOC(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 27243737 CTPCVVWXIZBTBW-AWEZNQCLSA-N 307.346 1.537 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@H](C)N(C)c1ccccc1 44954823 XPDYOWKLZBFCIH-ZDUSSCGKSA-N 316.409 1.622 0 40 DDAB C[C@@H](Nc1cc(C(F)(F)F)nc2ncnn12)C(=O)N(C)C 44976056 QXOZMKXSGVGHDU-ZCFIWIBFSA-N 302.260 1.032 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NCCOc2ccc(F)cc2)C1 28332770 SQTZOZGXNVZEBZ-GFCCVEGCSA-N 316.398 1.771 0 40 DDAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N(C)C)CC1 36803913 NBLBWIBNVQMVNO-LBPRGKRZSA-N 323.441 1.134 0 40 DDAB Cc1ccc(SCCC(=O)NCCN2CCOCC2)cc1 20242088 KZDQDFVHAKLSJC-UHFFFAOYSA-N 308.447 1.926 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n[nH]1 84111090 BQCRRRGUHMXFJD-LLVKDONJSA-N 305.407 1.993 0 40 DDAB O=C1CC[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)N1 60521945 MPZZXSWKVOACKT-ZDUSSCGKSA-N 303.362 1.298 0 40 DDAB C[C@@]1(C(=O)Nc2nnn[nH]2)CC1(Br)Br 2770734 RJTWDTUNCTZTAO-YFKPBYRVSA-N 324.964 1.034 0 40 DDAB NC(=O)NC(=O)CSc1nnc(Nc2ccccc2)s1 2726231 FPQGBEIEGZCGCY-UHFFFAOYSA-N 309.376 1.569 0 40 DDAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1ccco1 10297574 LVJTWVLCOXXWKE-GFCCVEGCSA-N 323.272 1.716 0 40 DDAB CCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10338068 XAMXYFGEAJXOPY-UHFFFAOYSA-N 312.435 1.886 0 40 DDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 22529853 OUFUEGWHQCYXKY-GFCCVEGCSA-N 320.389 1.397 0 40 DDAB O=C(CC(C1CC1)C1CC1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269424 IVSBWUKCDHAMIA-DLBZAZTESA-N 306.450 1.870 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)CC)c1C 3590663 UVHMGFLDGFYBOM-SECBINFHSA-N 324.377 1.880 0 40 DDAB CCSCCC(=O)NS(=O)(=O)c1cccc(OC)c1 49515839 WHRDYRNAECRRED-UHFFFAOYSA-N 303.405 1.643 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C)CO1 96007593 KKMDUOAWZZDGCG-BDAKNGLRSA-N 324.324 1.898 0 40 DDAB CCCNC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 4514043 WVDMBIHAUIMFJD-INIZCTEOSA-N 321.352 1.509 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 4504629 OQJFEVJVEZCBHB-JTQLQIEISA-N 318.192 1.366 0 40 DDAB COCCNC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1 4600462 RBHSNYRJBIJPMN-AWEZNQCLSA-N 306.406 1.667 0 40 DDAB CC(C)(C)NC(=O)CNC(=O)c1cnn(-c2ccccc2)c1 6986571 YIXPTDRSRBKDFX-UHFFFAOYSA-N 300.362 1.517 0 40 DDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(C)n1 80319993 QSLBVCDDAQNFLU-KRWDZBQOSA-N 324.384 1.375 0 40 DDAB CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1ccc(-c2ccn[nH]2)cc1 67851664 WGIJXWOLCYDCDZ-CABCVRRESA-N 324.384 1.912 0 40 DDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15905611 CWTRIYDJEQTLDI-ATNYBXOESA-N 310.353 1.252 0 40 DDAB CNC(=O)c1cccc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1 96458968 KXEOZHXUERISRC-GFCCVEGCSA-N 304.394 1.182 0 40 DDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C(=O)NC)c1 68528489 JIQLWPXOYJALFQ-WDEREUQCSA-N 320.393 1.471 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccnn12 72159218 FMGYFFCAZUDCSC-MRXNPFEDSA-N 320.352 1.387 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2nccn2C)cc1C 71843955 XCZBCTSOVXNPEO-UHFFFAOYSA-N 309.391 1.558 0 40 DDAB CCc1nnc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)o1 69349750 AUTSXUYSGOKTMX-ZDUSSCGKSA-N 305.382 1.346 0 40 DDAB CN1CC[C@@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)C1=O 71915401 XLGDJSSIVCOLCH-GFCCVEGCSA-N 318.764 1.486 0 40 DDAB Cc1cc(N(C)C[C@H](O)c2ccc(F)cc2)n2ncnc2n1 69562568 DZCCGQZEJSGQAD-ZDUSSCGKSA-N 301.325 1.742 0 40 DDAB CS(=O)(=O)CCNC(=O)Nc1cccc(Cn2cccn2)c1 69570829 LBNOFYRWTMFTJV-UHFFFAOYSA-N 322.390 1.098 0 40 DDAB CCn1cc(CN2CCCN(C(=O)C[C@@H]3CCCO3)CC2)cn1 69571445 LMBOSGGNQMSCGU-INIZCTEOSA-N 320.437 1.506 0 40 DDAB Cc1cc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)[nH]n1 69777279 RFDICAWLOBETDY-CQSZACIVSA-N 300.362 1.935 0 40 DDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)cc1N 9608745 SDEOIMDMGUYCLP-JTQLQIEISA-N 307.350 1.357 0 40 DDAB Cc1ccccc1OCCC(=O)N1CCn2c(C)nnc2C1 69874105 WBDPGZIDDAQUEF-UHFFFAOYSA-N 300.362 1.706 0 40 DDAB CC(C)(CCCNc1nn2c(=O)ccnc2s1)C1OCCO1 69870549 QNJMQNYTTWISHY-UHFFFAOYSA-N 324.406 1.742 0 40 DDAB O=S(=O)(CCCN[C@H]1CCc2ncnn2C1)c1ccccc1 69902292 DQBYJVDSBGRBGW-ZDUSSCGKSA-N 320.418 1.047 0 40 DDAB Cn1cccc1[C@@H]1COCCN1C(=O)Cc1cn2ccccc2n1 97143966 OENQFCRIHGEDSH-INIZCTEOSA-N 324.384 1.815 0 40 DDAB CSc1cncc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1 97162958 AXOBQYLHVQFAFI-AWEZNQCLSA-N 305.407 1.684 0 40 DDAB CN(Cc1ncnn1C)[C@H]1CCN(c2c(F)cccc2F)C1=O 84303980 WSRVMDRLVPVRMK-LBPRGKRZSA-N 321.331 1.331 0 40 DDAB O=C1NCCN(C(=O)[C@H]2CCOC2)[C@H]1c1ccccc1Cl 97372157 UEXRIRDTHPNEEP-GWCFXTLKSA-N 308.765 1.376 0 40 DDAB Cc1[nH]c(=O)ccc1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 95435599 DLAICEFRPVNBKA-LJQANCHMSA-N 324.380 1.997 0 40 DDAB O=c1[nH]c(Cn2c(-c3cccnc3)noc2=O)nc2ccccc12 75127138 JUZUKGJIWGHNNF-UHFFFAOYSA-N 321.296 1.183 0 40 DDAB COc1ccccc1[C@H](CNC(=O)C1CC1)NC(=O)C1CC1 75610989 RBCDECGGBOHUFH-AWEZNQCLSA-N 302.374 1.789 0 40 DDAB Cc1ncc(CNC(=O)C(=O)Nc2cc(F)ccc2F)s1 76018284 PQMJQMKMZUMZNW-UHFFFAOYSA-N 311.313 1.985 0 40 DDAB COC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1c(OC)cccc12 4653687 DLAIRTVEVSFSPC-RBZYPMLTSA-N 308.359 1.112 0 40 DDAB O=C1NC(=O)C2(CCN(C(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)N1 21473721 RIIJVOUFVUGWKI-TUAOUCFPSA-N 305.378 1.013 0 40 DDAB COc1ccc(C(=O)N2CC[C@@]3(CCN(C(C)=O)C3)C2)cc1 63527729 DZNBRKUOAUVWEG-QGZVFWFLSA-N 302.374 1.780 0 40 DDAB CCOc1cc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)ncn1 128838392 AZRYLWILPCVLMK-CYBMUJFWSA-N 315.377 1.851 0 40 DDAB CC(C)COC(=O)NCC(=O)OCC(=O)c1ccc(F)cc1 408998122 KEXWNMXWYRZSAQ-UHFFFAOYSA-N 311.309 1.934 0 40 DDAB CN=c1[nH]c(N2C[C@H](C)[S@@](=O)[C@H](C)C2)nc2ccccc12 521784938 CFXUWWKRQGVHQL-GXXBUWOFSA-N 304.419 1.439 0 40 DDAB Cc1cc(C(=O)N2CCN([C@H](C)c3nccs3)CC2)on1 185778936 DROFZZLVYIGCAE-LLVKDONJSA-N 306.391 1.959 0 40 DDAB Cc1nc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)cn1C 189151286 FFXNSEIRWBYLMO-NWDGAFQWSA-N 314.455 1.127 0 40 DDAB CN1C(=O)C[C@H](C(=O)N2CCSCC2)[C@H]1c1ccc(F)cc1 72242297 SGWJEPYZMIFVKF-DZGCQCFKSA-N 322.405 1.921 0 40 DDAB Cc1nn(C)c(C)c1C(=O)C(=O)NCCc1c(F)cccc1F 79381562 MOSFRTIDDRZKOS-UHFFFAOYSA-N 321.327 1.857 0 40 DDAB O=C(NC1CCOCC1)[C@H]1CN(c2cccc(F)c2)CCO1 72352795 LZZWCPWEHPNEMB-OAHLLOKOSA-N 308.353 1.326 0 40 DDAB CC(=O)NC(C)(C)c1noc(-c2ncn(-c3ccccc3)n2)n1 132561989 IFSCVSITMGFXJV-UHFFFAOYSA-N 312.333 1.689 0 40 DDAB CCN1CCO[C@@H](C(=O)NCCCNc2ccc(C)cn2)C1 85383579 MZTZEXLRIWCOTC-CQSZACIVSA-N 306.410 1.029 0 40 DDAB CN1CCN(c2ccc(NC(=S)NC(C)(C)C)cn2)CC1 223882841 FKEMMNIZXKSMSO-UHFFFAOYSA-N 307.467 1.918 0 40 DDAB CS(=O)(=O)c1cc(Br)ccc1CCC(=O)O 228963828 VSFKFFBUVONDKM-UHFFFAOYSA-N 307.165 1.870 0 40 DDAB COc1ccc(Cl)cc1C(=O)NCCN1CCN(C)CC1 225040015 VXLVEKYIBLHLDE-UHFFFAOYSA-N 311.813 1.326 0 40 DDAB CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1 97230789 CVOZXCOAKUGGFF-LBPRGKRZSA-N 315.377 1.369 0 40 DDAB Cn1nnc2cc(C(=O)O[C@H]3[C@@H]4CCO[C@H]4C3(C)C)ccc21 96416282 IKLANMQESYWBLQ-HONMWMINSA-N 301.346 1.939 0 40 DDAB Cc1csc(COC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 96442937 CCTXIKSYNGUOQJ-MRVPVSSYSA-N 322.308 1.906 0 40 DDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 96407702 MQWFYWHSSISDKX-LLVKDONJSA-N 308.403 1.536 0 40 DDAB Cc1oncc1C(=O)N1CC[C@@H]2[C@H]1CCN2c1nncs1 96064082 QSIHJJAMMOQOOT-GHMZBOCLSA-N 305.363 1.328 0 40 DDAB CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccnn1C)CC2 96217672 QAGIOEJQKDXJBK-INIZCTEOSA-N 304.394 1.427 0 40 DDAB CN(C)C[C@H]1CN(C(=O)Cc2cccs2)Cc2nccn2C1 96066896 ZQEZOEWBAUZMJY-CYBMUJFWSA-N 318.446 1.707 0 40 DDAB C[C@H](NC(=O)CCn1cccn1)c1ccc(-n2ccnn2)cc1 95440424 VFVKFQIAWFCHJV-ZDUSSCGKSA-N 310.361 1.731 0 40 DDAB COCC(=O)N1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 96238553 HILANOWPOHNBKO-KRWDZBQOSA-N 302.374 1.597 0 40 DDAB Cc1c(CCN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cnn1C 91371537 KTCNHAWQWGROCY-NSHDSACASA-N 322.434 1.269 0 40 DDAB O=C1N(Cc2cccnc2)CC12CCN(c1ncccn1)CC2 96202874 WFRWVRLMUUKDGE-UHFFFAOYSA-N 309.373 1.501 0 40 DDAB CN(C)CC(=O)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1 96223356 ONKVVPYWBAMIQD-SWLSCSKDSA-N 324.450 1.267 0 40 DDAB CC(C)NC(=O)N1C[C@H]2CN(Cc3cccnc3)C(=O)[C@H]2C1 96245072 LHHRXQQEPJATKC-KGLIPLIRSA-N 302.378 1.090 0 40 DDAB O=C(c1cnccn1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 96053612 JHVBFFXHEUGSTE-GXTWGEPZSA-N 308.341 1.212 0 40 DDAB CN(C)CCO[C@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 96057450 CZMFGTXRMREGJX-IPYPFGDCSA-N 311.451 1.453 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCc1ccccc1 96344547 LNBOIFGMMXGLHD-UHFFFAOYSA-N 311.385 1.829 0 40 DDAB CCS(=O)(=O)N1CCC2(CN(Cc3ccc(F)cc3)C2)C1 96202685 BDCMYOACMWPHSP-UHFFFAOYSA-N 312.410 1.683 0 40 DDAB CCN(CCC(F)(F)F)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 245344174 XXUWEKSVBRIJGF-NXEZZACHSA-N 318.361 1.615 0 40 DDAB CC(C)CNC(=O)[C@]1(C)CCCN(c2cc(N(C)C)ncn2)C1 257284505 PCYBRKOQMUDJGV-QGZVFWFLSA-N 319.453 1.921 0 40 DDAB CC(C)Oc1ccc([C@@H]2CN(S(C)(=O)=O)CCN2C)cc1 257302227 SCAFDUOJKDLGET-HNNXBMFYSA-N 312.435 1.722 0 40 DDAB Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 257219252 DGDSOFIFXBKGDQ-CYBMUJFWSA-N 310.423 1.223 0 40 DDAB COCC(=O)N1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 257256358 KLBZJRJXYABHAU-GFCCVEGCSA-N 315.377 1.294 0 40 DDAB CNc1cccc([C@@H]2CN(C(=O)c3ocnc3C)CCO2)n1 257214012 CKDBVAPLZBQHNN-LBPRGKRZSA-N 302.334 1.633 0 40 DDAB CCC(=O)N1CCCC[C@@H]1c1ccnc2c(C(=O)NC)cnn12 257223090 DVVHGIYTODGGLZ-GFCCVEGCSA-N 315.377 1.553 0 40 DDAB Cc1cncc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)c1 257338605 YYDWEUQYTRKGBY-MRXNPFEDSA-N 314.389 1.719 0 40 DDAB Oc1cc(C[C@H]2COCCN(CC3CCOCC3)C2)ncn1 257298112 RKFBRQMWXUGBBB-CQSZACIVSA-N 307.394 1.100 0 40 DDAB CC(C)CC(=O)N1CC2(CC[C@@H](CNC(=O)CC3CC3)CO2)C1 575405866 KJTMBIJEYZZEJC-HNNXBMFYSA-N 322.449 1.956 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1sccc1C 585306146 KSZUTLQBSKJWSM-VXGBXAGGSA-N 311.403 1.778 0 40 DDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1cc(C2CC2)on1 585277489 MHYLPURWVAVOQN-HNNXBMFYSA-N 307.350 1.049 0 40 DDAB CCN1CC[C@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O 585093395 ULZFIXCYLWITBP-HNNXBMFYSA-N 323.343 1.801 0 40 DDAB Cn1cc(CN2CC[C@@](O)(COc3ccc(F)cc3)C2)cn1 585268869 BWXFFSPDGAJDGA-INIZCTEOSA-N 305.353 1.575 0 40 DDAB Cn1cc(S(=O)(=O)N2CC[C@@H](c3cccc(F)c3)C2)cn1 69631864 MBMITZKXOGEQHO-GFCCVEGCSA-N 309.366 1.737 0 40 DDAB COc1coc(CN2CCCC[C@H]2C(=O)NC(C)(C)C)cc1=O 75109805 BMHPXXRDFZIYBD-ZDUSSCGKSA-N 322.405 1.918 0 40 DDAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)C[C@H]1CCCO1 75111306 UVFPQADKZWAETM-DGCLKSJQSA-N 322.390 1.317 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@@H](O)c1ccccc1Cl)CC2 75132692 PHGPQYDDBHUXLR-BXUZGUMPSA-N 306.797 1.878 0 40 DDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1cnccn1 80965363 XRFRBLHTNARSGC-VIFPVBQESA-N 319.390 1.096 0 40 DDAB COc1ccc(CN2CCC3(CC2)CC(=O)N(C)O3)c(OC)c1 1549160658 AGRAKKQUAVCCSN-UHFFFAOYSA-N 320.389 1.832 0 40 DDAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCOC)cc1 14400590 GQGQTKWINDAELB-UHFFFAOYSA-N 314.407 1.239 0 40 DDAB Cc1cccc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)n1 19236336 XQJXFMNMDSIOAR-CJNGLKHVSA-N 310.401 1.944 0 40 DDAB Cn1cc(C(=O)C2CCN(C(=O)C3CCCC3)CC2)c(N)n1 19290243 JHRVIPYJHQYNCA-UHFFFAOYSA-N 304.394 1.614 0 40 DDAB CC(=O)N1CC(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C12 1650146 XJIKSGZTDTXLLR-IZZDOVSWSA-N 303.705 1.268 0 40 DDAB O=C(c1noc2c1CCCC2)N1CCCN([C@H]2CCOC2)CC1 1848781298 FZORJEHXZBUOBB-ZDUSSCGKSA-N 319.405 1.490 0 40 DDAB Cc1ccc([C@H](CNC(=O)NC2CCOCC2)OCCO)cc1 225558285 ISZACGKFNQJHOQ-INIZCTEOSA-N 322.405 1.523 0 40 DDAB CN1CCOc2ccc(NC(=O)NC[C@H]3CCCO3)cc2C1=O 225550938 PASZJHSPFOSWSI-GFCCVEGCSA-N 319.361 1.452 0 40 DDAB CC(C)N1CCC(CNC(=O)C(=O)NCc2cccs2)CC1 12441383 YEOVPSRMTKAOQR-UHFFFAOYSA-N 323.462 1.601 0 40 DDAB COC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 250460531 KSGXXQQPLBLQBU-DUBDDPSESA-N 315.325 1.935 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)[C@H](c1ccc(Cl)cc1)N(C)C 568407553 BUXDUYQUCMVWBE-HNNXBMFYSA-N 323.824 1.680 0 40 DDAB COc1c(Br)c2c(c3c1OCO3)C=NC[C@@H]2O 261828328 KLTMQANHDSXLHH-LURJTMIESA-N 300.108 1.652 0 40 DDAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 3605876 ANRCFVSVSJSQRG-SECBINFHSA-N 321.757 1.161 0 40 DDAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(C)cc2)CC1 5278264 CFJNTNIGXKACOQ-UHFFFAOYSA-N 317.389 1.404 0 40 DDAB O=C1CN(C(=O)c2cccc(-n3cnnn3)c2)c2ccccc2N1 5938443 MGRMZEZQWIPLHE-UHFFFAOYSA-N 320.312 1.261 0 40 DDAB CN([C@H]1CCN(c2ncc(Cl)cn2)C1)S(=O)(=O)C1CC1 1888844237 IDRBRFKBJWNPDS-JTQLQIEISA-N 316.814 1.133 0 40 DDAB COc1ccc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc1OC 201257 CGKLNNVWWXENJJ-ZDUSSCGKSA-N 323.374 1.705 0 40 DDAB CN1C[C@H]2CN(C(=O)CCC3CCCC3)CC[C@@H]2OCC1=O 2037984786 NVNDOKDKJRXAFQ-GJZGRUSLSA-N 308.422 1.663 0 40 DDAB CN1C[C@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)COCC1=O 2037985530 MUTYPKOBWSGERK-KRWDZBQOSA-N 320.364 1.076 0 40 DDAB Cc1nc(CN2CCN(S(=O)(=O)C(C)C)CC2)cs1 48904099 QEOSEZBTUSYLFE-UHFFFAOYSA-N 303.453 1.307 0 40 DDAB COc1ccc(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)c(OC)c1 1614932360 AJWOALJMQJTKNV-BLLLJJGKSA-N 320.389 1.106 0 40 DDAB Cc1cnc(C)c(OC2CCN(Cc3nc(C)no3)CC2)n1 2087124864 MMEMBRRSXZKABR-UHFFFAOYSA-N 303.366 1.828 0 40 DDAB COC(=O)[C@@H](C)n1cnc2c(cnn2-c2ccc(C)cc2)c1=O 4268643 LCOQZEDEKNFFOT-LLVKDONJSA-N 312.329 1.625 0 40 DDAB CC(C)(C)C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 23127818 LIKBCVYZYAKZFZ-AWEZNQCLSA-N 304.390 1.749 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccn2)c1 72238980 CRPPKYBQBSTSLG-LBPRGKRZSA-N 306.391 1.830 0 40 DDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F 30287760 LAVBWDREWFHVLC-NXEZZACHSA-N 303.355 1.632 0 40 DDAB CCSc1nnc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)s1 40466487 MGQKQEKJTWYPOU-SECBINFHSA-N 314.436 1.847 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cncn1-c1ccccc1 40497140 VLTOIKDLFJYOMJ-LBPRGKRZSA-N 319.386 1.037 0 40 DDAB Cc1cc(N2CCSCC2)ccc1N[C@H](C)C(=O)NC(N)=O 51186767 JHLYKMWTEMOWKK-LLVKDONJSA-N 322.434 1.544 0 40 DDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccnc2)cc1 32523966 XMLUQKKHZDSMOK-UHFFFAOYSA-N 319.386 1.561 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c(C)c1 32854332 BPVACJXDXKFFKI-ZIAGYGMSSA-N 318.373 1.470 0 40 DDAB COc1ccccc1C1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 41570051 DREFZCNTTWWVLH-AWEZNQCLSA-N 316.401 1.902 0 40 DDAB CC(C)(CO)NC(=O)COc1ccccc1Br 41514990 CAAUVNPLQSKBGI-UHFFFAOYSA-N 302.168 1.715 0 40 DDAB CC1CCN(CN2C(=O)C3(OCCO3)c3ccccc32)CC1 532482 GYXZCJUGAHWTRR-UHFFFAOYSA-N 302.374 1.922 0 40 DDAB O=C(Cc1csc(-c2ncccn2)n1)NCc1ccncc1 54125743 QBVJDQSPLWQLSN-UHFFFAOYSA-N 311.370 1.854 0 40 DDAB CCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2 212270 QQXQOHBKEBIHST-JOCHJYFZSA-N 319.386 1.992 0 40 DDAB COCC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 61721123 WFXIHCATUFPCDS-UHFFFAOYSA-N 315.373 1.535 0 40 DDAB CN(CCc1ccc(F)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 55022803 FNUXTVZEPWIZHJ-UHFFFAOYSA-N 315.352 1.470 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CN1 47719809 IAYCYNKGVVTQHX-STQMWFEESA-N 305.378 1.059 0 40 DDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)F 1406566 MVFZOKVEBOKBMW-BHDSKKPTSA-N 314.288 1.174 0 40 DDAB COCCN(C(=O)C1CC1)c1nnc(-c2cccnc2)s1 4881564 FPUVKTLMIGQEQY-UHFFFAOYSA-N 304.375 1.990 0 40 DDAB CC[C@H](NS(=O)(=O)c1cccc2cc(C)cnc12)C(=O)O 35186298 RRJYJZCCLAIGCG-NSHDSACASA-N 308.359 1.685 0 40 DDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ccc(O)cc2)CC1 57024308 YXMKVEDNIQXIQE-HNNXBMFYSA-N 317.433 1.915 0 40 DDAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)COC[C@H]1CCCO1 95396698 TVXPNBOZZWBLOS-ZIAGYGMSSA-N 309.410 1.610 0 40 DDAB Cc1sc2ncn(CCC(=O)N3CCOCC3)c(=O)c2c1C 44895778 FGSWMPMALQVWHX-UHFFFAOYSA-N 321.402 1.324 0 40 DDAB COc1ccc2c(=O)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c[nH]c2c1 44936345 VHJQUTWVDYCAAQ-GHMZBOCLSA-N 316.357 1.786 0 40 DDAB C[C@H](NC(=O)[C@@H](C)n1cncn1)c1ccc2c(c1)OCCCO2 44909385 RJYXEZGDPMNPNV-NWDGAFQWSA-N 316.361 1.878 0 40 DDAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)N1CCC[C@@H](C)C1 84697540 HOUKKMMRPJYFSY-ZIAGYGMSSA-N 312.435 1.851 0 40 DDAB C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 95439719 HIIPDZXKDRQAPC-SMDDNHRTSA-N 321.808 1.755 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2O)C1 3242580 URGNSZSVKMRFET-GFCCVEGCSA-N 307.346 1.573 0 40 DDAB CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)O1 2557089 CKECEWYVEGPMPE-BJDJZHNGSA-N 302.367 1.810 0 40 DDAB COc1ccc([C@H](O)CNC(=O)NCCc2cnn(C)c2)cc1 46993618 DBPRTPFORLZTIE-OAHLLOKOSA-N 318.377 1.004 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)NCCNc1ncccn1 47105310 XPQIIBRNWRRMKC-ZDUSSCGKSA-N 300.362 1.610 0 40 DDAB CCOC(=O)N1CCN(C(=S)NC(=O)C2CCCC2)CC1 3281246 KPVSBDGHYNKQED-UHFFFAOYSA-N 313.423 1.352 0 40 DDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc[nH]c1=O 48237820 XWOSRAMSWCITRE-UHFFFAOYSA-N 300.314 1.766 0 40 DDAB O=C(Nc1nccs1)c1cnc2sc3c(n2c1=O)CCC3 61720558 MROSUPAQVUSALA-UHFFFAOYSA-N 318.383 1.954 0 40 DDAB CCn1c(NC(=O)[C@@H]2CN(C)CCO2)nc2cc(F)ccc21 96010659 BZOAEPRMAGUVLZ-ZDUSSCGKSA-N 306.341 1.464 0 40 DDAB CC(C)COC(=O)N1CCN(Cc2nc(C3CC3)n[nH]2)CC1 97109315 UMZXXEKGIGIQGS-UHFFFAOYSA-N 307.398 1.592 0 40 DDAB CC(C)(C)NC(=O)NC(=O)Cn1cnc2ccccc2c1=O 6086832 ILFBGAATZVZVGN-UHFFFAOYSA-N 302.334 1.021 0 40 DDAB Cc1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)no1 9217550 HSHIOYGXRMTPPU-UHFFFAOYSA-N 303.274 1.080 0 40 DDAB COC(=O)CN1CCC(N[C@@H]2CCN(c3ccccc3)C2)CC1 97162188 RDGNSARUJFVBJD-MRXNPFEDSA-N 317.433 1.492 0 40 DDAB Cn1ncnc1NC(=O)NC[C@@](C)(O)c1ccccc1Cl 97142569 MNAMQZLCXBKDRJ-CYBMUJFWSA-N 309.757 1.498 0 40 DDAB COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@@H](C(N)=O)C1 65478354 WYZVXRMCBJBNIK-XGQHYKRYSA-N 308.765 1.696 0 40 DDAB COc1ccc(-n2c(Cn3ccnc3)n[nH]c2=O)cc1Cl 65508505 MUBAGHJUIGTDBC-UHFFFAOYSA-N 305.725 1.467 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCCO2 5486662 XGANKOLAJLVKIS-UHFFFAOYSA-N 323.312 1.686 0 40 DDAB COC(=O)CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 83404634 DMLGVEYWVAYGEV-CYBMUJFWSA-N 302.374 1.776 0 40 DDAB OCCn1ncc2c(NCCCNc3ccccn3)ncnc21 97200222 GUNWLCBSDJLTNM-UHFFFAOYSA-N 313.365 1.128 0 40 DDAB CCn1cc(Cl)c(C(=O)N[C@@H](C)CN2CCOCC2)n1 22238452 WGWHQIBLOFTACY-JTQLQIEISA-N 300.790 1.007 0 40 DDAB CCO[C@H]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)C12CCCC2 96432523 DMIDYTIFDYVDNY-KGLIPLIRSA-N 319.405 1.406 0 40 DDAB C[C@@H](NC(=O)COc1cccc2c1CCCC2)C(=O)N(C)C 96475840 UKEDMAHYMRLUAD-GFCCVEGCSA-N 304.390 1.537 0 40 DDAB COc1ccc(COC[C@H](O)CNCC(C)(C)CN(C)C)cc1 6906534 ZYVNGCUKCCLAHW-MRXNPFEDSA-N 324.465 1.750 0 40 DDAB COC(=O)CCN(CC(=O)NCc1cccnc1)CC(C)C 71893080 AVTWPBOBLVUXSO-UHFFFAOYSA-N 307.394 1.219 0 40 DDAB C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O 71897383 PYTLLBKVIRTRJJ-BXKDBHETSA-N 311.769 1.297 0 40 DDAB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2cc(C)on2)c1 71875782 MTQUIQCCFFONQN-CYBMUJFWSA-N 303.366 1.591 0 40 DDAB CC(C)N1C[C@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CC1=O 71865233 IPHBZSZLNBXGHC-CABCVRRESA-N 318.421 1.521 0 40 DDAB C[C@@H](COCc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 71827049 MYCUCILQLXQQMX-AWEZNQCLSA-N 318.417 1.953 0 40 DDAB CN(C)C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 306125730 DABIJBSVTUUUDD-AWEZNQCLSA-N 312.410 1.345 0 40 DDAB O=C(Cc1ccc(-n2cnnn2)cc1)N(CC(F)F)C1CC1 71883507 ULTZTRVHYFYNAE-UHFFFAOYSA-N 307.304 1.461 0 40 DDAB CCc1ncc(C(=O)N2CCN(Cc3cc(C)on3)CC2)s1 71830937 ONSZDJDVYHXCRJ-UHFFFAOYSA-N 320.418 1.960 0 40 DDAB CCc1nnc(S[C@@H](Cc2ccccc2)C(=O)NC)n1C 96501842 LMBMPIGDXGQREM-LBPRGKRZSA-N 304.419 1.827 0 40 DDAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 68677320 FCUNYDGWNHWKIE-LFSVMHDDSA-N 301.298 1.846 0 40 DDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 16455296 GROLUYPMYSVNSP-INIZCTEOSA-N 321.352 1.507 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)c1 70015856 KLCIULFYFPBYAC-HNNXBMFYSA-N 301.394 1.721 0 40 DDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCCC(N)=O 69537873 MWWLATGXBBOHRC-SECBINFHSA-N 318.295 1.854 0 40 DDAB Cc1noc(CCNC(=O)NCCO[C@@H]2CCCC[C@H]2C)n1 69570759 NYKTWBFULVQFKY-DGCLKSJQSA-N 310.398 1.815 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)NCc2ccccn2)nc1 69651982 BBOYGSWOYPABGQ-UHFFFAOYSA-N 313.361 1.613 0 40 DDAB CCn1ccnc1CN1CCCN(C(=O)c2ccoc2)CC1 69626050 XWJVMHJJMRLAJW-UHFFFAOYSA-N 302.378 1.844 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)CCNCC(F)(F)F)C2)c1 69743496 PSPIVYFEVKFZBC-GFCCVEGCSA-N 318.343 1.897 0 40 DDAB c1cncc(-c2noc(CN3CCCC[C@@H]3C3OCCO3)n2)c1 69812654 AYKMXMWNZSPPDC-CYBMUJFWSA-N 316.361 1.859 0 40 DDAB CCOc1ccccc1/C=C/C(=O)N1CCCN(C(N)=O)CC1 69812838 OVZTVVUETQKEMZ-CMDGGOBGSA-N 317.389 1.712 0 40 DDAB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8745668 NZVGBJHDWKAFEQ-UHFFFAOYSA-N 320.370 1.426 0 40 DDAB Cc1ccc(C)n1-c1c(C(=O)NC2CCC(O)CC2)cnn1C 84191371 PWTFXWJHQFWKSL-UHFFFAOYSA-N 316.405 1.861 0 40 DDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccco1 95948611 IVQHXGDTIPOFRX-UHFFFAOYSA-N 318.358 1.919 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(CCc2cnc(C3CC3)nc2)C1=O 95992635 PXWBMKSTKFDBBF-INIZCTEOSA-N 300.362 1.617 0 40 DDAB CN(CC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 89335448 TWIQZAVDOFUISV-INIZCTEOSA-N 315.417 1.561 0 40 DDAB C[C@@H](NCCn1cccn1)C(=O)N[C@@H]1CCOc2ccccc21 75133239 XJGILEPZVROFSI-UKRRQHHQSA-N 314.389 1.501 0 40 DDAB C[C@@](O)(CNC(=O)[C@H]1Cc2cc(F)ccc2O1)C(F)(F)F 89900649 CEFRNWBVZNLCCI-ZYHUDNBSSA-N 307.243 1.559 0 40 DDAB NC(=O)c1cccc(CNC[C@H]2CCCN2c2cccnn2)c1 75584864 ZBPGPBSBESAPOT-OAHLLOKOSA-N 311.389 1.334 0 40 DDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCOC3)CCO2)n1 76046278 MLMYYFAHSTWZJI-MNOVXSKESA-N 308.382 1.039 0 40 DDAB Cn1cc(NC(=O)NCCc2cn[nH]c2)c(C(F)(F)F)n1 1548453487 GOQPAWPGQSVXJK-UHFFFAOYSA-N 302.260 1.526 0 40 DDAB Cc1ccn(-c2ccc(NC(=O)c3nc4ncccn4n3)cc2)n1 36618709 AOGNNXWEKKEMIV-UHFFFAOYSA-N 319.328 1.871 0 40 DDAB CCOc1ccccc1OCc1nc(C)c(CC(=O)O)c(=O)[nH]1 217393461 IKHJXCNKZZWBMK-UHFFFAOYSA-N 318.329 1.683 0 40 DDAB O=C(NC[C@@H]1COCCO1)c1cnc(Cc2ccccc2)s1 531509786 VRINAMAFKLPVFN-CYBMUJFWSA-N 318.398 1.879 0 40 DDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC1CCCCC1 35802425 CDYHCJQPEYRSPS-UHFFFAOYSA-N 319.405 1.486 0 40 DDAB CN(CC(=O)O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79390904 JBLIGRCBWBJOTO-AWEZNQCLSA-N 306.362 1.804 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)c(C)n2)cc1 217401363 KXKURPRGOLMQGX-UHFFFAOYSA-N 307.331 1.592 0 40 DDAB Cc1nc2c(s1)[C@H](N(C)C(=O)c1nccnc1N)CCC2 79352598 XGYWBTUHVCRQOA-SNVBAGLBSA-N 303.391 1.973 0 40 DDAB COc1cccc([C@@]2(Cc3cccc(F)c3)NC(N)=NC2=O)c1 71975317 UTZBYGAKTBLZHG-QGZVFWFLSA-N 313.332 1.717 0 40 DDAB O=C([C@@H]1CC=CCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436791 KYXNTSQUQWAOAJ-HUUCEWRRSA-N 304.390 1.814 0 40 DDAB O=C(COc1ccccc1F)N1CC[C@H](Oc2cccnn2)C1 225411269 WSCFPBWMJNOMGH-LBPRGKRZSA-N 317.320 1.674 0 40 DDAB C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncc2c(F)cccn12 528813849 DAGCZZWZHLCFDA-GWCFXTLKSA-N 302.353 1.686 0 40 DDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccco3)ccc21 225673070 JTISVNHWSJGQDD-UHFFFAOYSA-N 324.383 1.672 0 40 DDAB CN(C)C[C@H]1CCN(C(=O)NCc2csc(N(C)C)n2)C1 130235050 ZNLSRMAUMWAIKV-LLVKDONJSA-N 311.455 1.302 0 40 DDAB Cc1ccc([C@H](O)CNC(=O)[C@@H]2COc3ccccc3O2)o1 49026788 RNKNNFGYVKSDRU-ABAIWWIYSA-N 303.314 1.578 0 40 DDAB CCN(C)c1ccccc1NC(=O)N(C)C[C@@H](C)C(=O)NC 81629319 HHTYISSQHXPUHN-GFCCVEGCSA-N 306.410 1.989 0 40 DDAB CC(C)c1noc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1 195576682 FQSCCISVLZRHIS-UHFFFAOYSA-N 316.361 1.861 0 40 DDAB c1cnc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96049152 IBKNSNFMZDUCJV-MRXNPFEDSA-N 312.377 1.142 0 40 DDAB Cc1ccc(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1C 96430465 VDWIXEYEINEOBF-ZDUSSCGKSA-N 324.388 1.864 0 40 DDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)N4CCCC4)O[C@@H]3C2)s1 96042935 IXDBWWYXBAKDBM-RWMBFGLXSA-N 322.434 1.453 0 40 DDAB C[C@H](CCc1cccn1C)NC(=O)Nc1cccn(C)c1=O 96435119 AKZSXSKPBMIIMK-GFCCVEGCSA-N 302.378 1.867 0 40 DDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2ccoc2)cn1 96184533 OFLAUVCWCNFZHC-CABCVRRESA-N 300.362 1.502 0 40 DDAB O[C@]1(CNc2nc3ccccc3nc2N2CCCC2)CCOC1 96486703 ALOZPSIEBHYKIE-KRWDZBQOSA-N 314.389 1.793 0 40 DDAB C[C@H]1COC2(CCN(C(=O)Cc3cn4ccsc4n3)CC2)O1 96414537 ACRZFBLACZRJKP-NSHDSACASA-N 321.402 1.692 0 40 DDAB O=C([C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1)N1CCCC1 96066188 REFUNETUAQRBIS-YESZJQIVSA-N 321.465 1.184 0 40 DDAB Cc1ccccc1OC[C@H](O)Cn1ncc2ncccc2c1=O 96421315 IYXGPZZDAQGGQG-CYBMUJFWSA-N 311.341 1.540 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1sc2nc[nH]c(=O)c2c1C 95478794 ZRUCYOWMUTUVGU-SNVBAGLBSA-N 320.418 1.507 0 40 DDAB COC[C@@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ncn(C)c21 96044760 FWPGCHDULAGUNZ-ZDUSSCGKSA-N 317.364 1.874 0 40 DDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCC2CC2)C1 96110025 DHXLICXUWPYECT-CZUORRHYSA-N 321.446 1.426 0 40 DDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 96239132 UBNYKVDETRDCLF-RHSMWYFYSA-N 315.373 1.216 0 40 DDAB CS(=O)(=O)NCC[C@@H]1CN(C2CCCC2)Cc2cncn21 247510789 IJILFHUEUJNLEQ-CYBMUJFWSA-N 312.439 1.122 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257288472 PUIAIOQSHVCYFN-CQSZACIVSA-N 304.394 1.119 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cn2cccn2)C1 257225534 FGQGMHIBQAZDCM-CYBMUJFWSA-N 314.393 1.196 0 40 DDAB CC(=O)N1C[C@@H]2COCCN2C2(CN(CCC(C)(C)C)C2)C1 604381063 CWMKTELNVJWGRB-OAHLLOKOSA-N 309.454 1.040 0 40 DDAB biogenic,in-vitro O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2cnccn2)C1 257264287 LTSZNZSXSUBBCF-CQSZACIVSA-N 323.349 1.378 0 40 DDAB Cc1ncccc1C(=O)N1CCOC[C@H](Cc2ccncn2)C1 257282271 OTBYKSNDWOKPBF-CQSZACIVSA-N 312.373 1.511 0 40 DDAB OC1(CN2CCC(c3ccn4nccc4n3)CC2)CCOCC1 257325119 WRNSZLOZGQEYOW-UHFFFAOYSA-N 316.405 1.450 0 40 DDAB c1ccc(OC[C@@H]2C[C@H]3OCCN(C[C@H]4CCOC4)[C@@H]3C2)nc1 253596842 WJPYGEFZEDYKRP-YYIAUSFCSA-N 318.417 1.976 0 40 DDAB CC(=O)N1CCCN(Cc2cnc([C@H]3CCCCO3)nc2)CC1 257299271 RPJKQGUXQVYVSJ-MRXNPFEDSA-N 318.421 1.772 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 26865145 HESAERRADXIMPV-JSGCOSHPSA-N 310.419 1.699 0 40 DDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1C 257217635 CZWIOHULZQIQIE-GFCCVEGCSA-N 323.422 1.503 0 40 DDAB CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 264765272 NIHZOLWKUCPKJL-QWHCGFSZSA-N 302.382 1.462 0 40 DDAB O=C(Nc1cccc2nsnc12)c1cc2n(n1)CCCO2 90626502 VPRTXXSZRPTYAN-UHFFFAOYSA-N 301.331 1.923 0 40 DDAB O=C(O)CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2ncncc2C1 647733948 KQNMMZUHRXKEAN-JSGCOSHPSA-N 317.389 1.827 0 40 DDAB COC[C@@H]1Cc2c(ncn2C)CN1Cc1cccnc1OC 585094964 XFTBEEGIEVNYBM-ZDUSSCGKSA-N 302.378 1.397 0 40 DDAB COc1ccccc1NC(=O)[C@@H](C)N1CCCN(C(C)=O)CC1 27564741 JYAJCQBUBFJERZ-CYBMUJFWSA-N 319.405 1.576 0 40 DDAB Cc1ccc(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)n1C 29755680 XFXURLBECPIDCQ-AWEZNQCLSA-N 313.405 1.656 0 40 DDAB CCN(Cc1cccc2c1OCCO2)S(=O)(=O)N(C)C 69351421 CCLZSVXZCWVINW-UHFFFAOYSA-N 300.380 1.086 0 40 DDAB O=C(NCCCc1cccc(Br)c1)c1cnn[nH]1 71889147 RHHDTNQRLHKKOL-UHFFFAOYSA-N 309.167 1.930 0 40 DDAB Cc1ccccc1-n1nccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 72282030 ADWICJDHTUKDTF-GFCCVEGCSA-N 319.386 1.554 0 40 DDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@@H](C)OC[C@H]1C 55258912 OKXITLWJSHNLMD-VXGBXAGGSA-N 316.405 1.915 0 40 DDAB CCNC(=O)NCc1ccc(NC(=O)c2cnn(CC)c2)cc1 81129897 WVSOSZFIGNOTNK-UHFFFAOYSA-N 315.377 1.974 0 40 DDAB CN1N=C(C(=O)Nc2nnc(-c3ccccn3)s2)CCC1=O 40554002 KVTLZDGFPSBERZ-UHFFFAOYSA-N 316.346 1.147 0 40 DDAB CS[C@H](C)CC(=O)OCC(=O)NC(=O)NCC(F)(F)F 89894585 SMUMOCRFGMXXNC-ZCFIWIBFSA-N 316.301 1.059 0 40 DDAB Cc1nnnn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 95412988 DXEOZSMZRFSFKG-UHFFFAOYSA-N 310.243 1.024 0 40 DDAB C[C@H](Cn1nnc2ccccc21)NC(=O)c1cnn2cccnc12 12183221 RCBKAVASCZKGJJ-LLVKDONJSA-N 321.344 1.293 0 40 DDAB CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)C(=O)c2ccccc2C1=O 16887356 DQQXHVALWWDZRX-BETUJISGSA-N 318.325 1.814 0 40 DDAB CCn1cc(CN2CCN(C[C@H](O)c3cccs3)CC2)cn1 19524976 BUYWNEMUMFSWOG-HNNXBMFYSA-N 320.462 1.816 0 40 DDAB COc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1CO 19559281 PHSAAQPMQYCXQE-SJORKVTESA-N 320.433 1.219 0 40 DDAB CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]([C@@H]3OC(C)(C)O[C@H]32)[C@@H]1C(=O)O 169805686 LGSMWHUTRPDMIY-APLZJWDSSA-N 313.350 1.599 0 40 DDAB O=[N+]([O-])C(=C1NCCN1)/C(Cl)=C(/Cl)Br 1497025 SGLNZQAVYTWLGA-HYXAFXHYSA-N 302.943 1.667 0 40 DDAB CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 2004156 YGPRSGKVLATIHT-HSHDSVGOSA-N 301.342 1.187 0 40 DDAB biogenic,in-vitro O=S(=O)(O)C/C(=C/c1ccccc1)c1cc[n+](CCO)cc1 2145841 HFBARPFDICHIIW-VBKFSLOCSA-O 320.390 1.395 0 40 DDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nn1 225425949 QYLHAKABFJMUOO-GFCCVEGCSA-N 314.345 1.944 0 40 DDAB CCOCCn1c(=O)c2c(OCC)c(CC)cnc2n(C)c1=O 9571689 HDSARQWRJSAXTP-UHFFFAOYSA-N 321.377 1.093 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N(Cc1cccnc1)C1CC1 12362071 NMFYFGWGOIWVQI-UHFFFAOYSA-N 306.391 1.477 0 40 DDAB CC(=O)N1CCC(N2CCC(Oc3ncc(C)cn3)CC2)CC1 848562861 OAPWQUIESLOWMH-UHFFFAOYSA-N 318.421 1.639 0 40 DDAB CC(=O)N1CCN(CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 22057326 XWJHGBGURDEBOB-SFHVURJKSA-N 317.433 1.664 0 40 DDAB O=C(COc1ccccc1F)N1CC(Oc2cccnc2)C1 238839994 HQFVAHCHQYVMCH-UHFFFAOYSA-N 302.305 1.889 0 40 DDAB O=C(Cc1ccc(F)cc1)OCn1nnc2ccccc2c1=O 428845 OJKCRAKETDLQGR-UHFFFAOYSA-N 313.288 1.674 0 40 DDAB COc1cccc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1 2711144 JSLFDVWXQUDKNS-VIFPVBQESA-N 308.359 1.124 0 40 DDAB c1ccc(-n2ncc3c2ncn2c(-c4cnccn4)nnc32)cc1 13684917 DXAALUQNCIBUKD-UHFFFAOYSA-N 314.312 1.920 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]2O1 2055718414 YFFUVWSMTKRJLF-GDLCADMTSA-N 322.792 1.706 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccoc2C)C1 2055771772 WVCDPCQCVGOOBI-MRXNPFEDSA-N 316.361 1.162 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713577 JJTDZOANXOVTOJ-CYBMUJFWSA-N 318.421 1.596 0 40 DDAB CC(=O)N[C@@H](C(=O)c1ccco1)S(=O)(=O)c1ccc(C)cc1 27061753 PTGWXKNOZHCPFN-OAHLLOKOSA-N 321.354 1.707 0 40 DDAB COc1ccc(CNC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)cc1 585149757 MOOUWUUYSIHEAF-KGLIPLIRSA-N 304.390 1.720 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(C(N)=O)CC1 4163727 LEROESGRQANBRG-UHFFFAOYSA-N 313.357 1.383 0 40 DDAB O=C(NCCn1ccnc1)c1cc(Cl)c2c(c1)OCCO2 40474251 RZPCYAGNMGQTRZ-UHFFFAOYSA-N 307.737 1.738 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@H]1COc2ccccc2O1 40477781 IGUAUWUMPUFPDU-ZDUSSCGKSA-N 316.361 1.412 0 40 DDAB COC(=O)c1ccc(CCNC(=O)c2ccc(C)[nH]c2=O)cc1 40554707 IWGGWIYNCUOITK-UHFFFAOYSA-N 314.341 1.442 0 40 DDAB CCCCN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 40543432 BBPBTLWKMNOSQO-HNNXBMFYSA-N 324.402 1.657 0 40 DDAB CCn1ccc(CN(C)S(=O)(=O)c2cn(CC)nc2C)n1 20602753 UPYHGSZIBWVIGD-UHFFFAOYSA-N 311.411 1.249 0 40 DDAB Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@@H](C(N)=O)C2)cc1 32773976 DRCXEJNZBTWTFP-UKRRQHHQSA-N 303.406 1.197 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)Nc1cccnc1 32831028 KIKRPTKFFRIGBW-UHFFFAOYSA-N 308.135 1.645 0 40 DDAB O=C(Cn1ccccc1=O)Nc1cccc(Cn2cccn2)c1 32817264 KDMAZZZNZFNUEF-UHFFFAOYSA-N 308.341 1.732 0 40 DDAB O=C(NCCCn1cncn1)[C@H]1Cc2cc(Cl)ccc2O1 41862784 SZYBYPRIQJMHRA-CYBMUJFWSA-N 306.753 1.442 0 40 DDAB O=C(CN1CSCC1=O)NCCSCc1ccsc1 22614315 RCTXSEVCFADZPZ-UHFFFAOYSA-N 316.473 1.630 0 40 DDAB C[C@@H](C(=O)N1CCCCCC1)N1CCN(c2cnccn2)CC1 42633099 VKHVQZQICAHAQM-HNNXBMFYSA-N 317.437 1.390 0 40 DDAB O=c1[nH]c(NCCCOC[C@@H]2CCOC2)nc2ccccc12 77229585 CGFVHCOIRKEOJL-LBPRGKRZSA-N 303.362 1.778 0 40 DDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(C)cc4)C(=O)[C@H]13)O2 488860 FFWORHUJCFCVGH-ZXFNITATSA-N 313.353 1.845 0 40 DDAB biogenic CS(=O)(=O)N(CC(=O)N1CCCCC1)C1CCCCC1 559209 OUDWPNUPOJNIRN-UHFFFAOYSA-N 302.440 1.593 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c(C)c1 787159 YIAYGHSLPZOVGO-GFCCVEGCSA-N 306.362 1.374 0 40 DDAB Cn1ncc2c(NCc3cccnc3-n3cccn3)ncnc21 24660749 YEXUENRCYIOVMQ-UHFFFAOYSA-N 306.333 1.556 0 40 DDAB CC(C)NC(=O)CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 79967767 ARTHOJWUKKSAEY-ZDUSSCGKSA-N 323.397 1.098 0 40 DDAB C[C@H](NC(=O)NCCn1ccnc1)c1ccc2c(c1)OCCO2 43311279 QXQXRAMPPYHMOB-LBPRGKRZSA-N 316.361 1.715 0 40 DDAB CCOc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1 4853235 MJNDOUJEMPGORJ-UHFFFAOYSA-N 305.359 1.209 0 40 DDAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OC 6959132 FZQTXYHQRCRQIB-WTKPLQERSA-N 323.736 1.849 0 40 DDAB CN(C)C(=O)CNC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 56798630 LDLINOYPHPHKCO-AWEZNQCLSA-N 307.369 1.630 0 40 DDAB CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@@]2(CCOC2)C1 107525087 XQDKMPRUOVGPEK-MRXNPFEDSA-N 324.446 1.866 0 40 DDAB Cc1ccc(NC(=O)Cn2cnnn2)c(OCC(F)(F)F)c1 56989813 QGDFHFLHHSWOHI-UHFFFAOYSA-N 315.255 1.561 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1C(N)=O 26880851 NUEYELFFQWXCHI-NSHDSACASA-N 322.386 1.596 0 40 DDAB O=C1CC[C@@H](NC(=O)COc2ccc(Cl)c(Cl)c2)CN1 58167749 KLYMEWRLMNSPCE-MRVPVSSYSA-N 317.172 1.767 0 40 DDAB CN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1F 57355004 YAZKAUWCWKQGSZ-CJNGLKHVSA-N 320.364 1.594 0 40 DDAB CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1c(C)noc1C 44907823 YAJDASIJPLHKAW-LLVKDONJSA-N 316.423 1.900 0 40 DDAB Cc1cc(CN(C)C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)no1 44967774 SCWJREFZTAMGNJ-STQMWFEESA-N 310.398 1.234 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)c1cccn1C 44914091 WNZKBYPDFJSLGU-INIZCTEOSA-N 311.385 1.381 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 45074961 MWTLMLQVBGDVGW-CVEARBPZSA-N 320.364 1.737 0 40 DDAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(=O)[nH]n2)c1 12599187 LXBMXDBVTQQHTP-UHFFFAOYSA-N 314.345 1.504 0 40 DDAB C[C@@H](CNC(=O)CCn1cncn1)N1CCc2sccc2C1 46243704 CJMNHGKXWWWRIX-LBPRGKRZSA-N 319.434 1.293 0 40 DDAB Cc1c(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc2n1C 61942949 STZKKASPICBBCL-UHFFFAOYSA-N 313.401 1.867 0 40 DDAB CC(=O)NCCNC(=O)Nc1cnc2c(cnn2C(C)C)c1 48063215 ZGUMYDNSNYJRDX-UHFFFAOYSA-N 304.354 1.270 0 40 DDAB Cc1cc(C)c(NC(=O)CN2C(=O)CSCC2=O)c(C)c1 2710715 DEISAFAMXMJKDD-UHFFFAOYSA-N 306.387 1.652 0 40 DDAB Nc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 3225466 XBIMBIKZGVIAAO-UHFFFAOYSA-N 301.734 1.910 0 40 DDAB NC(=O)c1ccc(OCC(=O)NCc2cccc(F)c2)cc1 47353794 HSBYFQYHHZAJGO-UHFFFAOYSA-N 302.305 1.620 0 40 DDAB CCOC(=O)N1CCN(c2ncnc3c(C)nn(CC)c23)CC1 57280109 RATGDQLBINRIOE-UHFFFAOYSA-N 318.381 1.433 0 40 DDAB CN(C)S(=O)(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 95433029 ANEVQCIYHVISAE-JTQLQIEISA-N 312.313 1.135 0 40 DDAB CCOCC(=O)NCCN(CCOC)C(=O)OC(C)(C)C 95453549 IARPIXQCZNFILF-UHFFFAOYSA-N 304.387 1.023 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1 58564394 NHLVOSCHENUZGA-UHFFFAOYSA-N 319.382 1.994 0 40 DDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCc2cccs2)C1 48235079 AIWXZZYXRZKPHT-LLVKDONJSA-N 305.407 1.966 0 40 DDAB CN(CC(=O)NCC(=O)NCc1ccco1)c1ccccc1 48311872 ZFCJNQDKNIZGQI-UHFFFAOYSA-N 301.346 1.148 0 40 DDAB Cc1nn(C)c(C)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 27982666 FKONQGOVQQHIHS-UHFFFAOYSA-N 316.361 1.228 0 40 DDAB CC(C)c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)cc1 95409741 HPHDMTPRWZQGAG-UHFFFAOYSA-N 310.419 1.886 0 40 DDAB Cc1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 3531468 YDSTZOPIHRULTF-GFCCVEGCSA-N 313.444 1.699 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COc1ccc(F)cc1 12909229 XTSDJKNDLBTWDL-AEGPPILISA-N 319.332 1.517 0 40 DDAB CC(C)n1ccc(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 72300513 MWUPZWRFNWHNEM-GOEBONIOSA-N 320.437 1.186 0 40 DDAB CC(C)CCc1noc(CN2C(=O)N[C@@]3(CCSC3)C2=O)n1 65479439 UYLUVJIBRVYXMY-CQSZACIVSA-N 324.406 1.586 0 40 DDAB Cc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(C)s1 95447127 BHILMJZGRPDHCA-UHFFFAOYSA-N 304.418 1.593 0 40 DDAB C/C=C/c1ccc(OC[C@H](O)CN[C@@H](CC)CO)c(OC)c1 6552536 SSOTZYNVHANWFJ-UNCXAERMSA-N 309.406 1.829 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc(O)c(OC)c1 408730819 IVPWUYNXWGWPGD-ZDUSSCGKSA-N 321.333 1.178 0 40 DDAB Cn1c(CCNC(=O)c2ccc3[nH]ccc3c2)n[nH]c1=S 67050858 UFVCHGZONBSSQX-UHFFFAOYSA-N 301.375 1.931 0 40 DDAB OCC[C@H]1CCCCN1C[C@H](O)COCc1ccccc1F 9550256 FODWSWMDNITICW-CVEARBPZSA-N 311.397 1.940 0 40 DDAB CC[C@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)O 5984786 JCFPMPHELOZYDY-ZANVPECISA-N 308.334 1.714 0 40 DDAB biogenic CS(=O)(=O)NCCCNC(=O)C[C@@H]1CCCc2ccccc21 71888235 BKFKRSDGJCNVHW-AWEZNQCLSA-N 324.446 1.552 0 40 DDAB COCCNC(=O)C1=Cc2cc(Br)ccc2OC1 15786361 JWZKEUCNKDUKTK-UHFFFAOYSA-N 312.163 1.988 0 40 DDAB COC(=O)c1cccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1 71888991 POCJKCSBXVJQQT-LBPRGKRZSA-N 302.374 1.687 0 40 DDAB CCc1nnc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 15963574 NCRUHMQGKNBOAW-RKDXNWHRSA-N 322.390 1.214 0 40 DDAB C[C@@H](CNc1ccc(OC(F)F)cn1)N1CCN(C)CC1 94154113 LKHXOEMOTIOHMZ-NSHDSACASA-N 300.353 1.731 0 40 DDAB O=C(NC[C@@H](O)CO)Nc1cc(F)cc(Br)c1 91179898 ARZBCVUCEGRBDI-SECBINFHSA-N 307.119 1.063 0 40 DDAB C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C(C)(C)CO1 91216509 BMZOPFIYCXJJCB-SNVBAGLBSA-N 304.346 1.771 0 40 DDAB CN(C(=O)CSc1n[nH]c(=O)n1C1CC1)c1ccccc1 8212062 OVZYTDRHICABCR-UHFFFAOYSA-N 304.375 1.661 0 40 DDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 8380448 DVRPBKAQROXUFS-UHFFFAOYSA-N 314.432 1.547 0 40 DDAB COc1ccc(CC(=O)NCc2nnc3ccccn23)cc1F 8352394 IXCVYXJHVPYIMV-UHFFFAOYSA-N 314.320 1.736 0 40 DDAB CCn1cc(C(=O)NCCCOC)c(=O)c2cc(OC)ccc21 22235672 PXNHUSSEEOVHAG-UHFFFAOYSA-N 318.373 1.796 0 40 DDAB COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c1OCCO2 17326614 KPSGGHUKKBUISI-GHMZBOCLSA-N 307.346 1.716 0 40 DDAB CCOCCN1CCN(C[C@@H](O)c2cc(C)ccc2OC)CC1 69772874 LGIDLSVSRMHBCL-QGZVFWFLSA-N 322.449 1.691 0 40 DDAB Cc1cnn(CCNCc2ccc(-n3cncn3)c(F)c2)c1 69879598 XXGDMABZMOSQAZ-UHFFFAOYSA-N 300.341 1.701 0 40 DDAB CC(C)(C)NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 8735012 SAZKKZDDDWSHAF-UHFFFAOYSA-N 320.418 1.627 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1cnc(C(C)(C)C)s1)C2 71186503 ORUUSVFFGALUMT-UHFFFAOYSA-N 305.407 1.997 0 40 DDAB CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)CC3CCC3)[C@@H]2C1 93020371 DEHDRISKEGPHHY-MGPQQGTHSA-N 303.424 1.385 0 40 DDAB CN1CCN(C2CCN(c3ncnc4ccccc34)CC2)C1=O 75128560 ZLAWVQDFHFAECO-UHFFFAOYSA-N 311.389 1.966 0 40 DDAB Cc1ccc(S(=O)(=O)NC(=O)c2ccco2)cc1N(C)C 89644169 FNHSMXFLUFSVPI-UHFFFAOYSA-N 308.359 1.773 0 40 DDAB CCc1cn[nH]c1[C@H]1CCCN(c2cncc(C(N)=O)n2)C1 67878976 WWJNOUTZVHEJRD-NSHDSACASA-N 300.366 1.245 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)Nc1c[nH]nc1[C@H]1CCNC1 1549746148 ODOWCPKWZSBDEJ-JTQLQIEISA-N 306.316 1.946 0 40 DDAB c1cnc(N2Cc3cncn3[C@@H](COCc3cccnc3)C2)nc1 306136377 PSADAANSVGBAOU-MRXNPFEDSA-N 322.372 1.846 0 40 DDAB CC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 34858748 IOPSUHRMMWWSTF-UHFFFAOYSA-N 323.824 1.163 0 40 DDAB O=S(=O)(C1CC1)N1CCN(Cc2ccccc2Cl)CC1 123349309 JZJMBJYEUKDUNG-UHFFFAOYSA-N 314.838 1.950 0 40 DDAB COc1ccc(-c2noc([C@@H](N)CCS(C)(=O)=O)n2)cc1 35660453 DTRQRACCACYHTQ-NSHDSACASA-N 311.363 1.180 0 40 DDAB COC(C)(C)CNC(=O)N1CCN([C@H](C)c2ccccn2)CC1 125094730 HTNQHFHGPSPRMR-CQSZACIVSA-N 320.437 1.895 0 40 DDAB CC(C)N1CC2(CCNCC2)COc2ccccc2S1(=O)=O 306123724 AUQRPZUQMZTSIE-UHFFFAOYSA-N 324.446 1.848 0 40 DDAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCOCC1 38756810 AFCJZKKECMXHPS-MRXNPFEDSA-N 324.396 1.822 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N1CCCC1 74690066 DDAJCDSFWZQHGK-CZUORRHYSA-N 304.390 1.891 0 40 DDAB C[C@H]1CC[C@H](CNc2cc(N3CCN(C)C(=O)C3)ncn2)C1 530483483 PWZWHLNNYQDBBE-STQMWFEESA-N 303.410 1.603 0 40 DDAB CCOC(=O)N(C)CCOC(=O)[C@@H]1CC(=O)Nc2ccccc21 78985858 KNWJXLKHOJOOCH-GFCCVEGCSA-N 320.345 1.744 0 40 DDAB COC(=O)c1cccc(NC(=O)COc2cc(C)c(C)nn2)c1 78613873 JFALCSZEMTYLFT-UHFFFAOYSA-N 315.329 1.898 0 40 DDAB COc1cc(NC(=O)N2CCN(c3cccs3)CC2)ncn1 182149077 AIMSHVYNZXKWPC-UHFFFAOYSA-N 319.390 1.901 0 40 DDAB CC[C@H]1CN(C(=O)NC2CCC(C(=O)NC)CC2)C[C@H](C)O1 78925285 YROBDJPPIAVODU-ABXWRUBCSA-N 311.426 1.500 0 40 DDAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218383661 LEYJJZMAQJTMIF-NTZNESFSSA-N 317.794 1.111 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)c2cc(C3CCCCC3)no2)CCO1 72379792 XQLARVPORJRAFC-INIZCTEOSA-N 321.377 1.439 0 40 DDAB O=C(Cn1nc2oc3ccccc3n2c1=O)NC1CCCC1 72347070 HPGDUWZIUZICTN-UHFFFAOYSA-N 300.318 1.301 0 40 DDAB CC(=O)NC1CCN(c2ccc([C@@H]3CCCN3C)nc2)CC1 72365382 SSKMKIMCSDLNOI-KRWDZBQOSA-N 302.422 1.953 0 40 DDAB O=C1CCCN1C[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 72351240 SLDBPVPFZPZLRU-CYBMUJFWSA-N 323.418 1.105 0 40 DDAB CCc1cc(O)nc(CN2CCOC[C@H]2c2cccn2C)n1 131814746 XDQDWHAGZDKYFR-AWEZNQCLSA-N 302.378 1.657 0 40 DDAB CCCN1C[C@H](CNC(=O)c2ccc3nnc(C)n3c2)CC1=O 563527757 LQMDBIOOWWRKLW-LBPRGKRZSA-N 315.377 1.026 0 40 DDAB O=C(NCC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccccc1 78978681 FCCKQGQROFTLOV-AWEZNQCLSA-N 312.373 1.893 0 40 DDAB CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1 225962201 XGPMQRQOSKUYRF-UHFFFAOYSA-N 313.423 1.487 0 40 DDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NC2CCCC2)s1 224561709 KERXDRIICRGPKS-UHFFFAOYSA-N 318.424 1.354 0 40 DDAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCOC 222902166 RXGYMYFVNZYYFV-LBPRGKRZSA-N 310.369 1.715 0 40 DDAB CN(C)c1ccnc(C(=O)N2CCc3ccccc3[C@H]2CO)c1 133164531 UEWHNPHCVODVAL-QGZVFWFLSA-N 311.385 1.880 0 40 DDAB COC(=O)c1cc(N2C[C@H](C(=O)OC)CC2=O)ccc1Cl 45953281 JMKPEJVNGLOGGR-MRVPVSSYSA-N 311.721 1.653 0 40 DDAB CC(C)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225235524 AXGGDVFKLMAYLI-SECBINFHSA-N 314.432 1.923 0 40 DDAB CSCC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)O 41091244 CFNFBTSEGBUPDR-NSHDSACASA-N 321.395 1.619 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1 48363867 XQLDDNODBPSLRV-DYVFJYSZSA-N 320.389 1.701 0 40 DDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)/C=C/c1ccccc1 96454856 WXMUSFFVFSSZOK-ATWMFIQVSA-N 308.403 1.240 0 40 DDAB O=C(c1ccncc1)N1CCC2(CC1)CN(c1cccnc1)C2=O 96202952 WHVDLXHDYOAYQN-UHFFFAOYSA-N 322.368 1.746 0 40 DDAB O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@H]2COC[C@@H](C1)O2 333620558 GFPAQVGDANFJJP-FRRDWIJNSA-N 312.316 1.802 0 40 DDAB Cn1cc(N2C[C@]3(CCN(Cc4ccco4)C3)CC2=O)cn1 96239298 OQAGMMDMKQBRPC-MRXNPFEDSA-N 300.362 1.642 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1)N1CCCO1 96057690 BZHNFJWAUNPWCE-NWANDNLSSA-N 322.430 1.891 0 40 DDAB C[C@]1(CNC(=O)CNC(=O)c2cccc(F)c2)CCCS1 95412659 JOJOCQBBCOSHMP-OAHLLOKOSA-N 310.394 1.957 0 40 DDAB O=C(NCCc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 96417057 YWLAVOUGHBNAEQ-GFCCVEGCSA-N 307.371 1.526 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1 96188935 QMJOWECMOHRYNP-CYBMUJFWSA-N 315.377 1.290 0 40 DDAB COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 96261132 UNNPJSCCZPTGEN-HNNXBMFYSA-N 316.401 1.688 0 40 DDAB Cn1nccc1C(=O)NCCC(=O)Nc1cccc2cccnc12 96192395 MNWMMDPQIRUJNV-UHFFFAOYSA-N 323.356 1.727 0 40 DDAB O=C(c1c[nH]cn1)N1CC[C@@H]2[C@H]1CC(=O)N2c1ccsc1 96081368 GHXIRBHCSCZDLQ-VXGBXAGGSA-N 302.359 1.491 0 40 DDAB CNCC(=O)N1CC(c2cc(Nc3ccccn3)nc(C)n2)C1 257230050 GAOVUJIOASCXIK-UHFFFAOYSA-N 312.377 1.069 0 40 DDAB CN1c2ccccc2O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]21 257253074 JXMAKIPXHRCJGX-JUDXGUMMSA-N 320.389 1.910 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cccn2C)CCO1 257306357 STYWRQBWJZQIKT-LBPRGKRZSA-N 301.350 1.071 0 40 DDAB O=C(NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)N[C@H](CO)Cc1ccccc1 252584926 DVLKNKQJLGHMHK-QXKUPLGCSA-N 300.402 1.934 0 40 DDAB CS(=O)(=O)[C@@H]1[C@H](CO)[C@H]1c1ccc(Br)cc1 252516465 SRCWXYIAFWGAIY-GMTAPVOTSA-N 305.193 1.568 0 40 DDAB CCc1nccn1CC(=O)N1CCOC[C@H]1c1[nH]ncc1C 257207927 BJXXTQWOVPGVJU-LBPRGKRZSA-N 303.366 1.077 0 40 DDAB C[C@H](Cn1cncn1)NC(=O)N1CCC[C@H]1c1ccncc1 299658990 QXZSVVVHVMUMIW-OCCSQVGLSA-N 300.366 1.608 0 40 DDAB CCCC(=O)N1CC2(CC[C@@H](CN3CCCCC3=O)CO2)C1 575406027 VNSVRAULWPCEKH-AWEZNQCLSA-N 308.422 1.807 0 40 DDAB CCOC[C@H]1CCn2nccc2CN1C(=O)[C@@H]1CCCS1 585096852 DRZIBPAGEHRCJG-KGLIPLIRSA-N 309.435 1.916 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)NC1CCC1)CN(Cc1ccco1)C2 585110827 LOBPYDBURMJPEM-AWEZNQCLSA-N 314.389 1.781 0 40 DDAB COc1ccc(COC[C@H](O)CNC(=O)c2ccncc2)cc1 69584391 MSMOVSGYYCFDOU-OAHLLOKOSA-N 316.357 1.398 0 40 DDAB CN1CCN(C(=O)COC[C@@H]2CCCO2)c2ccc(F)cc21 76067764 LMXUYXZTRMOCIP-ZDUSSCGKSA-N 308.353 1.804 0 40 DDAB O=C(Nc1ccc(CN2CCOCC2)cn1)c1cncc(F)c1 97022254 MCPANGRGXBHDAR-UHFFFAOYSA-N 316.336 1.700 0 40 DDAB CC1([C@@H]2CCCN(C(=O)c3cnn4c3CCCC4)C2)OCCO1 97372521 KFVKQRRMRDBYBP-CYBMUJFWSA-N 319.405 1.835 0 40 DDAB Cc1ccn(CCNC(=O)CCN2Cc3ccccc3C2=O)n1 12199000 LXEXILMILGCWDD-UHFFFAOYSA-N 312.373 1.354 0 40 DDAB CCOC(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238818096 BYQONIMWOUHACI-UHFFFAOYSA-N 301.350 1.964 0 40 DDAB CC1CCC(C(=O)N2C[C@H]3CN(CCN(C)C)C(=O)[C@@H]3C2)CC1 1565546155 WGFYAUMYVVMWNG-QDIHITRGSA-N 321.465 1.291 0 40 DDAB CCC[C@@H](C)N1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 1565542816 UZIQVZUNMICFJW-HIFRSBDPSA-N 316.467 1.144 0 40 DDAB COC[C@H](C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 10017098 YPXKMZXUERXGFI-QMMMGPOBSA-N 304.268 1.795 0 40 DDAB CCC(CC)NC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055718044 XSOAOWSKZYEJSN-LBPRGKRZSA-N 320.437 1.889 0 40 DDAB COc1cccc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)c1OC 20738618 LUPUWXLXCBAOOG-NSHDSACASA-N 316.317 1.587 0 40 DDAB Cc1c(C(=O)NCCn2ncccc2=O)cnn1-c1ccccc1 38510262 UGYXFOIGWZKBOW-UHFFFAOYSA-N 323.356 1.167 0 40 DDAB Cc1noc(-c2cccnc2N(C)C[C@@H]2CCS(=O)(=O)C2)n1 96429560 MFMLYFPSOXSZRD-NSHDSACASA-N 322.390 1.311 0 40 DDAB Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)[nH]1 30146865 RBBCFYUUKJEABE-UHFFFAOYSA-N 315.373 1.865 0 40 DDAB Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)on1 30311090 YLBMTMFLHVOTPO-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccc(C(N)=O)cc1 40481465 JDIWEIHJMSLXOD-UHFFFAOYSA-N 306.753 1.411 0 40 DDAB C[C@@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)CCO1 40498758 VWTQVEDUKWMKHJ-SECBINFHSA-N 304.268 1.884 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)Nc1ccccn1 40512459 IGRKCQJIWHJFRM-UHFFFAOYSA-N 308.135 1.645 0 40 DDAB Cc1cccc(-c2nc(Cn3cnc4c(cnn4C)c3=O)no2)c1 32328707 UOQHVOLGNSESMF-UHFFFAOYSA-N 322.328 1.537 0 40 DDAB CCc1nn2c(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)nc2s1 20962116 PBTMTIGWLBWWSG-NXEZZACHSA-N 308.407 1.323 0 40 DDAB O=c1cc(CNC(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1 32652242 LJWRETXMTPBNMF-UHFFFAOYSA-N 307.353 1.942 0 40 DDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 33213044 JBORGTTXOWMSLT-SNVBAGLBSA-N 315.295 1.841 0 40 DDAB CC(C)[C@@H](CNC(=O)c1cn2ccccc2n1)N1CCOCC1 41934347 VCOYEKDNILCRJA-OAHLLOKOSA-N 316.405 1.421 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1cnn(C)c1 54287976 PZEXIDKVJUMYPR-UHFFFAOYSA-N 314.374 1.572 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nonc2C)n1 9194033 YUTMJSGIRGKOBE-UHFFFAOYSA-N 309.351 1.145 0 40 DDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(O)c1 1250775 NJICFSFGSZPETL-ZDUSSCGKSA-N 322.386 1.757 0 40 DDAB Cc1n[nH]c(C)c1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1 78787844 JEVSSJZTYUFUPI-CYBMUJFWSA-N 322.434 1.344 0 40 DDAB O=C(c1ncn2c(=O)n(C3CCCCC3)nnc12)N1CCCC1 1414458 DMYBZWHRJLHWJB-UHFFFAOYSA-N 316.365 1.027 0 40 DDAB COC(=O)C1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)CC1 78945760 JPTPNTBPXPAABK-UHFFFAOYSA-N 318.373 1.599 0 40 DDAB COc1cn(C)c(C(=O)NCc2ccc3c(c2)OCO3)cc1=O 79190888 YBRGNMDBEXAQHX-UHFFFAOYSA-N 316.313 1.053 0 40 DDAB biogenic O=C(NC1CC1)C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 79255974 BRYOASNUYCWFDY-INIZCTEOSA-N 314.385 1.507 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2cscn2)CC1 55435961 KFJVDRXEVMUFKE-UHFFFAOYSA-N 323.447 1.515 0 40 DDAB Cc1csc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 12537680 BMOLVJJHBPDKCU-UWVGGRQHSA-N 305.359 1.341 0 40 DDAB Cc1cccc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)c1C 6463554 HJIADMPIXXSJFZ-CQSZACIVSA-N 321.373 1.521 0 40 DDAB CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1ccc(O)c(OCC)c1 6595544 GIYYHPUUTKEPQF-AWEZNQCLSA-N 319.361 1.797 0 40 DDAB CN1N=C(C(=O)N(C)c2nc3ccccc3s2)CCC1=O 26966692 VVZVOJQUNPHYAE-UHFFFAOYSA-N 302.359 1.867 0 40 DDAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C=O)CC1 8050683 SBXXVMWWQRIJCY-AWEZNQCLSA-N 310.781 1.798 0 40 DDAB CC(=O)c1ccccc1NC(=O)N1CCCC[C@@H]1CNC(N)=O 95462305 MGBCQWREURGNLB-GFCCVEGCSA-N 318.377 1.944 0 40 DDAB COc1ccc(CCNC(=O)NCCn2ccnc2)c(OC)c1 58216824 HLVHCXHXPLPUQH-UHFFFAOYSA-N 318.377 1.442 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccn2)o1 44918388 MZUDPBAAWZFIQI-VIFPVBQESA-N 309.347 1.074 0 40 DDAB COCCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 44946512 GUCYKPKDLZCUGH-ZDUSSCGKSA-N 322.409 1.142 0 40 DDAB Cn1ccc(S(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)O)n1 521039585 FCQMFDZVBZJSOR-WDEREUQCSA-N 315.395 1.122 0 40 DDAB CCN1C(=O)[C@H](NC(=O)C(=O)NC2CCCC2)c2ccccc21 9340372 UVZNDFYUBXLDHA-CQSZACIVSA-N 315.373 1.269 0 40 DDAB O=c1ccc(C(F)(F)F)nn1Cc1ccc(-n2ccnc2)nc1 95437155 FGLGVHKOQDIMSE-UHFFFAOYSA-N 321.262 1.891 0 40 DDAB Cc1cnc(N2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1 107226428 FJIIOSWJYIBJNF-CJNGLKHVSA-N 312.377 1.425 0 40 DDAB O=S(=O)(Cc1c(F)cccc1F)N[C@@H]1C[C@H]2CC[C@H]1O2 110700028 LTTFBSVTTQHYLG-BZHVJNSISA-N 303.330 1.704 0 40 DDAB C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccn(C)n1 28233750 JWYRWGJNWGJJLH-MRVPVSSYSA-N 312.171 1.654 0 40 DDAB O=C(CCc1ccc(F)c(F)c1)NC[C@@H]1CCS(=O)(=O)C1 46198909 WMZTUSQUGLWKSS-NSHDSACASA-N 317.357 1.448 0 40 DDAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)Nc1ccncc1 58018016 SBJGWBTUJXGNAX-AWEZNQCLSA-N 311.382 1.348 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N(C)C)nc1 46812762 FKSIDUDPTLHIJG-UHFFFAOYSA-N 310.379 1.231 0 40 DDAB O=C1NC(=O)[C@H]2[C@@H]1ON(c1ccccc1)[C@@H]2c1cccs1 101264409 LQFAKSSYIXZCSM-UPJWGTAASA-N 300.339 1.882 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 12862255 DFHQLCYJCRRURF-SECBINFHSA-N 304.302 1.324 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594675 OPBUVWKNKMCVQG-PIGZYNQJSA-N 315.373 1.295 0 40 DDAB CCc1cccnc1NS(=O)(=O)c1cccc2nonc12 95435874 WPLBXHCMLGIDCD-UHFFFAOYSA-N 304.331 1.981 0 40 DDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 65415540 IENOZARTUUIRJG-GOEBONIOSA-N 317.433 1.664 0 40 DDAB CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccc3c(c2)CCO3)CC1 65410870 IQIPZKCJCOIVDW-GFCCVEGCSA-N 317.389 1.113 0 40 DDAB C[C@H](CCc1ccccc1)NC(=O)Nc1cnn(CC(N)=O)c1 65422997 MHMDJOUDCJZAPJ-GFCCVEGCSA-N 315.377 1.511 0 40 DDAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)c2c(C)nn(C)c2n1 65464808 QUJHTSPTCFBGAO-LBPRGKRZSA-N 324.388 1.526 0 40 DDAB CC1=CS(=O)(=O)c2cc(F)c(N3CCN(C)CC3)cc2N1 4475411 WUTYRFTZGPJRPF-UHFFFAOYSA-N 311.382 1.638 0 40 DDAB CC(C)N1CCN(c2ccc(C(=O)N3CCCC3)cn2)CC1 4472999 BDPXJTPVQWCGDD-UHFFFAOYSA-N 302.422 1.848 0 40 DDAB CCOCCO[C@@H](C)C(=O)Nc1ncn(Cc2ccccc2)n1 65520561 ATBPAKNKTVJOCR-ZDUSSCGKSA-N 318.377 1.707 0 40 DDAB C[C@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1nncn1C 65563141 XOOQEVZSGATCLV-WCQYABFASA-N 300.366 1.818 0 40 DDAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2cn[nH]c2)CC1 65552431 PDUWHBUFSVPKAB-NSHDSACASA-N 307.398 1.814 0 40 DDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C/C=C/c2ccccc2)CC1 14242678 NXFWLICYQDNDSR-QPJJXVBHSA-N 323.396 1.846 0 40 DDAB Cc1nc(COc2ccc(C(=O)Nc3ccn(C)n3)cc2)no1 14899702 UTAHOCSKVXXRJM-UHFFFAOYSA-N 313.317 1.943 0 40 DDAB Cc1nc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cn1C 66582040 CQNRMDLWDOHQEG-UHFFFAOYSA-N 300.771 1.602 0 40 DDAB C[C@@H](NC(=O)Cn1ccc(-c2ccc(F)cc2)n1)C(=O)N(C)C 96475707 AXPGUCJZAVNEKD-LLVKDONJSA-N 318.352 1.282 0 40 DDAB O=C(Cn1nc2n(c1=O)CCCCC2)N(CC(F)F)C1CC1 96404634 FITJIXIIQQXTRP-UHFFFAOYSA-N 314.336 1.027 0 40 DDAB CCN(CC)C(=O)CN(C)CC(=O)N[C@H](C)c1ccccc1 7591107 AVAQQEHPJMLJKZ-CQSZACIVSA-N 305.422 1.664 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccc(Cl)nc1 80910514 QLFMUIZRHICDKU-JTQLQIEISA-N 305.769 1.984 0 40 DDAB COc1cccc(CNCC2CCN(C[C@H](C)O)CC2)c1OC 69329683 KMHDUVMQCVEWFY-AWEZNQCLSA-N 322.449 1.886 0 40 DDAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2cnn(C)c2)C1=O 69484219 QDGCXVJLHJWETC-LLVKDONJSA-N 312.329 1.472 0 40 DDAB Cc1cccc(OCCNC(=O)Cn2ccc(C)cc2=O)c1 71857510 HYBRXAZIVVLHME-UHFFFAOYSA-N 300.358 1.660 0 40 DDAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCS(=O)(=O)CC1 71803914 IMFLOUCDYFYENA-QWHCGFSZSA-N 318.439 1.022 0 40 DDAB COc1ccc(CNC(=O)NCCC(N)=O)c(C(F)(F)F)c1 69656997 OSAAADQCCQGQRI-UHFFFAOYSA-N 319.283 1.389 0 40 DDAB Cn1cc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 69655057 KGDIVGYWKRSPPE-QGZVFWFLSA-N 300.406 1.271 0 40 DDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@@H](n2ccnc2)C1 69626755 XYXOSDFRWYDCQJ-HZPDHXFCSA-N 318.421 1.838 0 40 DDAB c1coc(-c2noc(CN3CCC[C@H](Cn4cncn4)C3)n2)c1 69630359 AWXKCPVOCPDUSC-LBPRGKRZSA-N 314.349 1.833 0 40 DDAB CC1CCC(N(C)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 69786083 SHDAGJKXYULRTI-YUNLISADSA-N 321.421 1.744 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(OC)cc2OC)CC1 69870741 BYQIMYOQHRCBMO-ZDUSSCGKSA-N 322.405 1.233 0 40 DDAB CCN(CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1 69924662 WEXMVUCWUZFCFP-INIZCTEOSA-N 317.433 1.636 0 40 DDAB COc1cc(C)c(C(=O)N2CCc3[nH]ncc3C2)cc1OC 87061357 ORYSIPYNLNGHMV-UHFFFAOYSA-N 301.346 1.934 0 40 DDAB CC(C)Oc1ccc(C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)cn1 96703788 CIBOOHCMDWVOKR-LBPRGKRZSA-N 317.345 1.729 0 40 DDAB C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(-n3cccn3)nc2)C1=O 95992459 URVINSMZHVINMW-INIZCTEOSA-N 311.345 1.488 0 40 DDAB CC(=O)NCc1ccc(NC(=O)Nc2cnn(CCO)c2)cc1 95959334 XPLHTNOXLRYJPZ-UHFFFAOYSA-N 317.349 1.156 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3nncn3c2)C1 72234610 HYVDLPJZUPIRMU-AWEZNQCLSA-N 310.361 1.712 0 40 DDAB Cc1ccccc1CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84235666 BWRBASXRVNPSOI-MSOLQXFVSA-N 316.445 1.985 0 40 DDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(F)c(F)c(O)c1F 97112458 UMBVELNHAURSJM-SECBINFHSA-N 318.295 1.700 0 40 DDAB CNC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1F 97102626 XSQGRZZWDUJLPP-DGCLKSJQSA-N 307.369 1.659 0 40 DDAB CN1C[C@H](Nc2cc(-c3ccccc3)nc3ccnn23)C[C@H]1CO 72423946 JQMIOHWKYCZPCF-CABCVRRESA-N 323.400 1.873 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1ccc2c(c1)OCO2 23402784 IQINRUZRUWGFCX-UHFFFAOYSA-N 300.380 1.134 0 40 DDAB O=C(NCCNc1ncccn1)N[C@@H]1CCN(C2CCCC2)C1 75134099 VKGQWHMNSFFDQO-CYBMUJFWSA-N 318.425 1.205 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cncnc2C(C)C)c(=O)[nH]1 75117828 YAODFWOMZIDLKO-UHFFFAOYSA-N 300.362 1.835 0 40 DDAB C[S@](=O)c1nncn1CCCc1nc(-c2ccccc2)no1 75137306 DERQCFCATNYHDK-JOCHJYFZSA-N 317.374 1.698 0 40 DDAB O=C1NC[C@@H](C(=O)NCc2ccc(OC3CCCCC3)nc2)N1 89794231 HKLQMDNYJUCMFL-ZDUSSCGKSA-N 318.377 1.091 0 40 DDAB CCn1nc2c(cc1=O)CN(CCOc1ccccc1F)CC2 76064251 MEFXLKSZGQEUSD-UHFFFAOYSA-N 317.364 1.839 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3c[nH]c(C(C)C)n3)CCO2)n1 76051411 OQJMFZPSRQLYOY-NSHDSACASA-N 304.354 1.173 0 40 DDAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C=O)CC1 20495203 NQDBFQVEYYDMDP-MRXNPFEDSA-N 304.390 1.761 0 40 DDAB CN1CCC(NC(=O)c2cccc(N3CCCC3=O)c2)CC1 61497546 IETCTNPQZNTVPC-UHFFFAOYSA-N 301.390 1.637 0 40 DDAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)OC 409094071 BULIKWNYXBLZBY-UHFFFAOYSA-N 321.402 1.780 0 40 DDAB O=C(O)[C@@H]1CCN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 516837638 PITDTRJEVCWMNM-JTQLQIEISA-N 323.292 1.639 0 40 DDAB Cc1csc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1 519330276 WBYKDHLBROAXPE-UHFFFAOYSA-N 319.404 1.216 0 40 DDAB CCc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 32777796 GZZZXNQQTRVOFX-UHFFFAOYSA-N 311.407 1.103 0 40 DDAB CN(C)c1oc(/C=C2/NC(=O)NC2=O)cc1Br 408843631 AIZSZFXBICZJGG-QPJJXVBHSA-N 300.112 1.288 0 40 DDAB CCOC(=O)[C@@H](Cc1c(C)[nH]c2ccccc2c1=O)C(=O)O 217437245 UCRQMWDGMHUAAE-LBPRGKRZSA-N 303.314 1.643 0 40 DDAB NCC(=O)N1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 79391057 HFDZGYCUFSJDGY-QGZVFWFLSA-N 301.434 1.991 0 40 DDAB COCCn1cnnc1C1CCN(Cc2cccnc2)CC1 72363808 GEXORGQMGJHNMQ-UHFFFAOYSA-N 301.394 1.699 0 40 DDAB CC(=O)Nc1ccccc1OCc1ncc(C(=O)O)c(=O)[nH]1 217381973 HDNAYEVHACHYAU-UHFFFAOYSA-N 303.274 1.006 0 40 DDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@@H]1c1cccc(F)c1 72241773 WNOMYFQZIMMJEY-UONOGXRCSA-N 319.292 1.351 0 40 DDAB COC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218421665 XSXFOGHGWCUQCY-FRRDWIJNSA-N 303.811 1.442 0 40 DDAB CCN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 74019219 HWTFESGHACGMHP-JTQLQIEISA-N 315.295 1.845 0 40 DDAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(C)c1 75157552 SFNNYAPEEGCJJJ-ZDUSSCGKSA-N 321.439 1.917 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 72377796 DKBXWECVZVUYAN-CYBMUJFWSA-N 313.361 1.925 0 40 DDAB CC(=O)c1ccccc1OCc1ncc(CCC(=O)O)c(=O)[nH]1 223444531 ZMLMTPJKETXCJF-UHFFFAOYSA-N 316.313 1.569 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225574163 ADISNKZMDIFBLW-QMMMGPOBSA-N 320.440 1.600 0 40 DDAB C[C@@]1(c2cccc(NC(=O)C3CCCC3)c2)NC(=O)NC1=O 40110894 SZPAARZUTXGPSD-INIZCTEOSA-N 301.346 1.870 0 40 DDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)C2 225519858 DIGRAPIHZGZSEK-OAUYIBNBSA-N 311.385 1.598 0 40 DDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(Cl)c1F 45896217 LVNVBXCRIRFQIA-LLVKDONJSA-N 323.715 1.928 0 40 DDAB O=C(C[C@@H]1COCCN1C[C@@H](O)C(F)(F)F)c1ccccc1 195566648 CZRXPEKTAIDJOB-TZMCWYRMSA-N 317.307 1.883 0 40 DDAB Cc1ccc(CNC[C@](C)(O)CN2CCOCC2)cc1Cl 195444551 ITOFXTFMIGHAOH-INIZCTEOSA-N 312.841 1.821 0 40 DDAB CCC(=CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1)CC 236923885 SZPWECWXDOHADE-HOTGVXAUSA-N 321.465 1.840 0 40 DDAB CC(C)NC(=O)N1CC[C@]2(C[C@@H](N(C)c3ncccn3)CO2)C1 96219849 FWQYTILDLTWPPA-CJNGLKHVSA-N 319.409 1.264 0 40 DDAB CO[C@@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1cccnc1 96200139 VBZDGWMUGWHJJO-DLBZAZTESA-N 311.385 1.878 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)N2CCc3ccccc32)C1 331933100 IRCKFZVDIVMIIS-LBPRGKRZSA-N 323.418 1.170 0 40 DDAB COC[C@@H]1C(=O)NCC12CCN(Cc1cccnc1OC)CC2 96207458 VBMPTWLLDDSZBA-CQSZACIVSA-N 319.405 1.065 0 40 DDAB CCNS(=O)(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 97227853 NJQOZJUYCIFOIM-ZDUSSCGKSA-N 322.434 1.994 0 40 DDAB O=C(NCC[C@@H]1CCOC12CN(C1CCC1)C2)c1ccncc1 247519208 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310.482 1.828 0 40 DDAB Cc1cccc(C[C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 257323878 WMFPYSHSCONBAZ-INIZCTEOSA-N 317.433 1.503 0 40 DDAB O=C(Nc1ccc2ncccc2c1)N[C@@H]1CCS(=O)(=O)C1 575424468 LLRBTVMLJDMFCT-GFCCVEGCSA-N 305.359 1.543 0 40 DDAB CSCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 575403026 HPIGLXIQANYNBA-ZDUSSCGKSA-N 322.430 1.831 0 40 DDAB COCC(=O)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575403370 HQZZCRMSLHAISQ-CQSZACIVSA-N 306.362 1.005 0 40 DDAB COCc1nnc2n1CCN(C(=O)c1cccc(C)n1)[C@H](C)C2 585098554 USRLUTHRGSXDKM-GFCCVEGCSA-N 315.377 1.215 0 40 DDAB CC(=O)Nc1nc(CN2CCn3c(nnc3C(C)C)C2)cs1 69902480 HMIQFEXUQQEMIE-UHFFFAOYSA-N 320.422 1.832 0 40 DDAB O=C(C1CC1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 71852487 YLTCYRJJOURRAM-UHFFFAOYSA-N 300.284 1.554 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(-c2ccc(F)cc2)[nH]n1 40522068 WBSIEOREOADWPC-GFCCVEGCSA-N 316.336 1.614 0 40 DDAB Cc1cc(CCC(=O)NCCC(N)=O)ccc1Br 79050219 OWSYELIHMNISFQ-UHFFFAOYSA-N 313.195 1.682 0 40 DDAB CS(=O)(=O)[C@H]1CCN(C(=O)CSCc2ccccc2)C1 96365005 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CN1CCN(Cc2cnc3n2CCN(C(=O)C(C)(C)C)C3)CC1 2055713861 SBWVYMHWPPBBRQ-UHFFFAOYSA-N 319.453 1.019 0 40 DDAB O=c1cc(C2CC2)ncn1CC1CCN(C[C@H]2CCOC2)CC1 585632903 YLPKPXDRPNQQET-OAHLLOKOSA-N 317.433 1.869 0 40 DDAB Cn1nc(C(=O)NCC(=O)C(C)(C)C)cc1NC(=O)C1CC1 72256730 FIXHRMCRWZOGBG-UHFFFAOYSA-N 306.366 1.114 0 40 DDAB CC[C@@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CCO1 30855185 GNNATQNBCVXOQD-GFCCVEGCSA-N 315.373 1.113 0 40 DDAB O=C(CCn1cncn1)N1CCC(c2nc3ccccc3[nH]2)CC1 40493526 MABGPLICWSZBLD-UHFFFAOYSA-N 324.388 1.951 0 40 DDAB COc1ccc(OC[C@H](O)CN2CCC(CC(N)=O)CC2)cc1 40540752 DUODZYRVTZFULE-CQSZACIVSA-N 322.405 1.022 0 40 DDAB Cn1c(C(=O)NCCc2ccccc2)nc2ccccc2c1=O 32073411 XMVDDAMRTWCYTI-UHFFFAOYSA-N 307.353 1.906 0 40 DDAB O=C1C[C@@H](Cc2ccc(C(=O)Nc3ccccc3O)cc2)C(=O)N1 101246078 JXEICPSIFOYTLX-CYBMUJFWSA-N 324.336 1.850 0 40 DDAB Cc1ccc(Cl)c(OCC(=O)N2CCC(C(N)=O)CC2)c1 32388458 VJWSMGHWLORBSE-UHFFFAOYSA-N 310.781 1.751 0 40 DDAB O=C1NC(=O)[C@H](CCc2nnc(Nc3ccccc3)s2)N1 32913809 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2697120 YFPFWHDHVLZDJT-QWHCGFSZSA-N 310.444 1.587 0 40 DDAB Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 106838845 YWKLNGWGLXIPCJ-QWHCGFSZSA-N 309.435 1.719 0 40 DDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc21 3327195 PERLOKLEBFVALK-UHFFFAOYSA-N 301.346 1.382 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@H]2CN(C)CCO2)C1 106921627 NDNSQNFBZZBHCM-RBSFLKMASA-N 311.470 1.190 0 40 DDAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)[nH]c(=O)c23)C1 25315130 HVQPGIBDTGOAMQ-SNVBAGLBSA-N 319.430 1.942 0 40 DDAB CNC(=O)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 25755571 GYRGXKUZRZPBJY-CQSZACIVSA-N 310.369 1.023 0 40 DDAB O=C1C[C@@H](C(=O)N2CCCC2)CN1CCc1ccc(F)cc1 4998812 CBZQYKHHRUKEOP-CQSZACIVSA-N 304.365 1.839 0 40 DDAB CCOc1c(Cl)cc(Cl)cc1CNn1nnnc1N 7541717 BPNWYVACNTUTSJ-UHFFFAOYSA-N 303.153 1.705 0 40 DDAB Cc1cnc(C(=O)NCC(=O)N2CCCc3ccccc32)cn1 57268465 ZYMADBPRUBYKRP-UHFFFAOYSA-N 310.357 1.494 0 40 DDAB CC(=O)NCCNC(=O)c1ccc(Br)cc1O 44490714 LEWDYJJPOJUXLE-UHFFFAOYSA-N 301.140 1.021 0 40 DDAB O=C(c1ccc(N2CCCC2)nn1)N1CCO[C@H]2CCCC[C@@H]21 57833509 YDUCXRWUMPICGK-GJZGRUSLSA-N 316.405 1.860 0 40 DDAB Cn1c(=O)c2[nH]c(Nc3ccc(Cl)cc3)nc2n(C)c1=O 8581202 GYRLUTTZCNHKNY-UHFFFAOYSA-N 305.725 1.357 0 40 DDAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CCCNC2)CC1 58041028 MVONCMXBKQOXNX-GFCCVEGCSA-N 311.426 1.502 0 40 DDAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccc[nH]1 97108765 GBIXPUQSMQMYCF-INIZCTEOSA-N 313.401 1.901 0 40 DDAB COc1cc(C)c([S@](=O)Cc2nnc(C)n2C)cc1OC 97164047 YHUZWBYGJABGCU-NRFANRHFSA-N 309.391 1.757 0 40 DDAB Cc1cccc(OCCNC(=O)N2CCC[C@@H](C(N)=O)C2)c1 58169107 IBFFLGHHLOVYPX-CYBMUJFWSA-N 305.378 1.281 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3)cc2)n1 58172117 UBPRLDDFQLDVOK-CQSZACIVSA-N 312.373 1.498 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 44890798 SLOGJULFTNWINB-KGLIPLIRSA-N 303.337 1.944 0 40 DDAB CN(C)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 58210024 FYGWHVDIDFNXOB-GOEBONIOSA-N 312.373 1.927 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c(Cl)c1 9348184 FIVPQYUHWWAUHA-SNVBAGLBSA-N 305.725 1.762 0 40 DDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H]1CCCCNC1=O 44968062 XJSGNAPFIVHVIV-ZWNOBZJWSA-N 323.368 1.863 0 40 DDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@H]1C 44912604 DRNBGYCMILUGJO-GFCCVEGCSA-N 301.346 1.742 0 40 DDAB O=C(NCc1cc2ccccc2o1)NC[C@@H]1CCS(=O)(=O)C1 44954108 UKOWWDIGPBYVGP-NSHDSACASA-N 322.386 1.667 0 40 DDAB Nc1nc(Cl)cc(N[C@H]2CCCN(c3ncccn3)C2)n1 44976678 IZBKSMORYAQFNO-VIFPVBQESA-N 305.773 1.583 0 40 DDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 27881302 VPXOFLOUPIRWRN-AAEUAGOBSA-N 311.403 1.778 0 40 DDAB CC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)c1ccccc1 58379867 HKIDBGHMQKOBDC-DZGCQCFKSA-N 304.390 1.544 0 40 DDAB CCCNc1nnc(S(=O)(=O)Cc2cc(C)on2)s1 58423709 XIPALLXBHMKGAU-UHFFFAOYSA-N 302.381 1.630 0 40 DDAB C[C@H]1CCCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 28903770 ZVXLNLCQWPNGNE-HNNXBMFYSA-N 317.433 1.623 0 40 DDAB C[C@@H]1c2cccn2CCN1C(=O)CNC(=O)c1cccs1 29380059 MUDXGOPFTMIOJY-LLVKDONJSA-N 303.387 1.883 0 40 DDAB Cc1c(C)n(Cc2ccccn2)c2ncn(CCCO)c(=N)c12 101476352 XAUCQQXLQNFPCT-UHFFFAOYSA-N 311.389 1.760 0 40 DDAB CCCn1c(=O)c2c(c(-c3ccccc3)cn2C)n2c(=O)[nH]nc12 57519832 VTEXRYCYQPBFHS-UHFFFAOYSA-N 323.356 1.753 0 40 DDAB O=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccccc1 2751090 YALGZZHKCHBKPK-UHFFFAOYSA-N 323.304 1.642 0 40 DDAB Cc1nc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)cs1 47066868 VYKOWBWZHQQYRG-CYBMUJFWSA-N 324.450 1.315 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)c1nc(-c2cccnc2)no1 12322230 JEWNOBKEBJIEQS-GFCCVEGCSA-N 301.350 1.346 0 40 DDAB CC[C@H](C[C@@H](C)CO)NC(=O)c1cn(Cc2ccccc2)nn1 95443437 OBMNWKWDZKRSIK-UKRRQHHQSA-N 316.405 1.853 0 40 DDAB C1CN([C@H]2CC[C@@H]3S[C@@H]2CC[C@H]3N2CCOCC2)CCO1 100162703 AISSRCQTANXUHV-GEEKYZPCSA-N 312.479 1.446 0 40 DDAB CN1N=C(C(=O)NCc2ncc(-c3ccccc3)o2)CCC1=O 47927710 LODXXVIYPDWTKJ-UHFFFAOYSA-N 312.329 1.566 0 40 DDAB Cc1nn(C)c2cnn(CCNC(=O)[C@H]3C[C@H]3c3ccccc3)c12 57279823 PFRFSJMZDWSWFG-GJZGRUSLSA-N 323.400 1.998 0 40 DDAB COc1ccc(CNC(=O)N[C@@H](C)Cn2cccn2)cc1O 48278972 OTEVCWSGQXIQQN-NSHDSACASA-N 304.350 1.485 0 40 DDAB Cc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c(O)c1 12790267 JVQQKSFHKHBDEN-UHFFFAOYSA-N 301.346 1.972 0 40 DDAB CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)NC1=S 104991184 IIVXVCCPXXSUIA-FLIBITNWSA-N 320.370 1.618 0 40 DDAB CCc1nnc(NC(=O)CNC(=O)c2ccc(C)cc2)s1 12733793 OPASJJREIIPJMV-UHFFFAOYSA-N 304.375 1.777 0 40 DDAB CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3322042 OHGPQEYSMXAMIN-UHFFFAOYSA-N 316.313 1.711 0 40 DDAB Cc1ccccc1OCCCC(=O)NCCN1CCOCC1 48331660 VERRYRPCZDWOJY-UHFFFAOYSA-N 306.406 1.602 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC 9113654 PPOZWQSWBGSSFB-VIFPVBQESA-N 322.365 1.300 0 40 DDAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](O)C2)cc1 9252754 FEZYPNRNGYLYHF-GJZGRUSLSA-N 323.389 1.060 0 40 DDAB CCc1nsc(N2CCN(Cc3nc(C)ccc3O)CC2)n1 93642965 GTPDBGFMLIANAF-UHFFFAOYSA-N 319.434 1.832 0 40 DDAB Cn1nccc1C(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1 97080780 YBRYDUAWGKIRJO-UHFFFAOYSA-N 300.297 1.520 0 40 DDAB CC(=O)N1CC2(C)CN(C(C)=O)CC(c3ccccc3)(C1)C2=O 5001326 ZPUNWWMABZUEQF-UHFFFAOYSA-N 314.385 1.224 0 40 DDAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 14138565 KMNIPWITOZXTBH-HNNXBMFYSA-N 307.350 1.351 0 40 DDAB Cc1cc(N2CCN(Cc3cccs3)CC2)n2ncnc2n1 14202394 YAETVPZHKOOHAI-UHFFFAOYSA-N 314.418 1.816 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633710 JXMQOAYCHZOEPJ-RISCZKNCSA-N 324.402 1.302 0 40 DDAB CC1=NN(C(=O)[C@H](C)n2cc(C)cn2)[C@](O)(C(F)(F)F)C1 6790141 WPQHLLQKJOIRNI-GXSJLCMTSA-N 304.272 1.612 0 40 DDAB C[C@@H]1CN(c2cc(C(=O)O)ccc2S(C)(=O)=O)C[C@@H](C)O1 15443595 KUHMXFFFEAEMPI-NXEZZACHSA-N 313.375 1.402 0 40 DDAB C[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccco1 7333830 ZSEFGRJNZMNVPM-VIFPVBQESA-N 303.347 1.872 0 40 DDAB Cc1cc(C)c2c(c1)[C@H](NC(=O)CSCC(N)=O)CCO2 71851749 HGTPLDXVGYVGIM-GFCCVEGCSA-N 308.403 1.462 0 40 DDAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)nn2C)c1 68432326 IBIXJUSAMUSITF-NSHDSACASA-N 316.361 1.954 0 40 DDAB Cc1nc(COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)no1 71890068 RSYLYVZWVVZKIX-LLVKDONJSA-N 301.302 1.474 0 40 DDAB CC(C)NC(=O)NCc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 7916946 DFGYIRPAJCDHRH-HNNXBMFYSA-N 319.405 1.803 0 40 DDAB Cc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 71826712 JPBJTDAMCQSMBE-AWEZNQCLSA-N 315.348 1.603 0 40 DDAB CN(C)C(=O)C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 83844001 SQGMYVDZMVGUQI-CABCVRRESA-N 319.405 1.372 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)c1ccnc(-n2cncn2)c1 70038284 DXEJKIHEHBZLSL-LBPRGKRZSA-N 302.382 1.122 0 40 DDAB CCN(Cc1c(F)cccc1F)C(=O)C1=NN(C)C(=O)CC1 69367146 YAUTXASXJCGNOC-UHFFFAOYSA-N 309.316 1.922 0 40 DDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccccc1 8395429 RGIPWDHFQDLABJ-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB Cc1cc(C(=O)N(C)Cc2ccnn2C)c2c(C)nn(C)c2n1 17032455 XISJYVDZIVUOLQ-UHFFFAOYSA-N 312.377 1.591 0 40 DDAB Cc1nnc2n1CCN(C(=O)c1csc(-c3ccco3)n1)C2 69461917 IGYOPJCGRXPUQV-UHFFFAOYSA-N 315.358 1.959 0 40 DDAB Cc1nc(NC(=O)CN2CCc3cncnc3C2)sc1C 69491956 SLYQAKHSLIVESF-UHFFFAOYSA-N 303.391 1.547 0 40 DDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CC(n2cc(C)cn2)C1 69592498 GVCFIROMAOGYCI-ZDUSSCGKSA-N 303.366 1.762 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(CCOCC(F)(F)F)CC1 69626980 NJDCIQIDNIFRIS-LBPRGKRZSA-N 312.376 1.590 0 40 DDAB C[C@@H](NC(=O)Cc1ccccc1O)C(=O)N1CCSCC1 69737145 KLOSMRPBNJXAOK-LLVKDONJSA-N 308.403 1.015 0 40 DDAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)NC(C)C)cn1 69701970 SKUMCMGJCCHXSI-SNVBAGLBSA-N 321.406 1.676 0 40 DDAB Cc1cc(N2CCC[C@H]2Cn2nc(C)cc2C)n2ncnc2n1 69929895 WGKMFNWZNQYQLN-AWEZNQCLSA-N 311.393 1.915 0 40 DDAB CN(Cc1ccco1)C(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270754 DMFPGCXEVFRKPX-ZDUSSCGKSA-N 302.378 1.841 0 40 DDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(N2CCCC2)CC1 70887584 ZAXQFDRQXWRIAI-HOCLYGCPSA-N 310.438 1.657 0 40 DDAB O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cnccn1 84539374 NWFHJIURYNNUJN-HNNXBMFYSA-N 311.341 1.825 0 40 DDAB Cc1nnc(CNC(=O)c2sc(-c3ncccn3)nc2C)o1 95954014 HGZYRRHNUCSALZ-UHFFFAOYSA-N 316.346 1.530 0 40 DDAB Cc1nn(C)c(C)c1CCCNC(=O)N1CCC[C@H]1C(C)(C)O 95939492 YHOCJTMOXYPWQX-HNNXBMFYSA-N 322.453 1.914 0 40 DDAB CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)CCc1cccn1C 74744833 VLJOCMLPPCYFFP-ZFWWWQNUSA-N 320.437 1.512 0 40 DDAB C[C@H](O)C[C@H](CNC(=O)N1CCC[C@@H]1CO)c1ccccc1 89894837 HMMAOSYOWRFTAC-NUEKZKHPSA-N 306.406 1.707 0 40 DDAB C[C@@H]1C[C@H](N(C)C[C@@H](c2cccs2)N2CCOCC2)C(=O)O1 75603753 BGZZVRRPKMDHTI-RDBSUJKOSA-N 324.446 1.757 0 40 DDAB O=C(Cc1cccc(F)c1F)Nc1c[nH]nc1[C@H]1CCNC1 1549746319 PJUSKOYBQXTEOQ-JTQLQIEISA-N 306.316 1.946 0 40 DDAB CN1C[C@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@H]2C1 306135755 OZUIHJUWPTWSLK-QWRGUYRKSA-N 315.352 1.403 0 40 DDAB COc1cc(OC2CC2)ccc1C(=O)N[C@H]1CCC(=O)N[C@H]1C 554613394 GFUDDAPSXYTGLZ-HZMBPMFUSA-N 318.373 1.633 0 40 DDAB O=C(C1CC1)N1CCN(Cc2cc(C(F)(F)F)n[nH]2)CC1 517069577 XTQMNADKDXQYFY-UHFFFAOYSA-N 302.300 1.483 0 40 DDAB CC(=O)N1CC[C@H]1c1cc(N(C)CC2(C)COC2)nc(C)n1 72386987 BWEVFBYRKILNJO-AWEZNQCLSA-N 304.394 1.551 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cc(Cl)ncn2)CC1 72343972 XFGKOENWELMTFM-SNVBAGLBSA-N 303.815 1.734 0 40 DDAB Cc1cc(C(=O)NCc2ccc(C)o2)nc(N2CCOCC2)n1 71195535 HUYVHTGYDHGKMG-UHFFFAOYSA-N 316.361 1.453 0 40 DDAB Cc1noc(CNC(=O)c2coc(NC(=O)c3ccco3)n2)n1 62023055 AJSLAQDBSADNLN-UHFFFAOYSA-N 317.261 1.141 0 40 DDAB Cc1snnc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 72239898 YFIZKMRNSZOZGQ-UHFFFAOYSA-N 320.393 1.944 0 40 DDAB CCn1c(=O)n(CC(=O)NC2=NCCS2)c2ccccc21 32845791 GHYXNPJSMNLOBZ-UHFFFAOYSA-N 304.375 1.042 0 40 DDAB NC(=O)C1CCN(c2ncc(-c3cnccn3)c(C3CC3)n2)CC1 72340332 NCBFBGOTSXZOSF-UHFFFAOYSA-N 324.388 1.513 0 40 DDAB Cc1cccc(C(=O)N2CCOC[C@H](Cc3ccncn3)C2)n1 72388327 QDNYAIPYEBMDRH-CQSZACIVSA-N 312.373 1.511 0 40 DDAB C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)n1ccnc1 78774967 BBBLHUMMWHNNHJ-JTQLQIEISA-N 318.358 1.946 0 40 DDAB Cc1c(CCC(=O)N2CC3(CCNCC3)C[C@H]2C)cnn1C 567982864 WYXPTKBQRUHHFB-CYBMUJFWSA-N 304.438 1.652 0 40 DDAB COc1ccc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)cc1 49543728 JOPQLFVSCOMDMX-UHFFFAOYSA-N 312.369 1.845 0 40 DDAB biogenic CC(C)C(=O)NCCN(C)[C@@H]1CCc2ccccc2NC1=O 192141850 GFOQCHJUZJAYFX-OAHLLOKOSA-N 303.406 1.644 0 40 DDAB Cc1ccc(=O)n(CCNC(=O)/C=C/c2ccc(F)cc2)n1 49422391 XZKHWARPDQJERF-VMPITWQZSA-N 301.321 1.520 0 40 DDAB CCOc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1 224192140 HYGDLVMXKMMQIU-UHFFFAOYSA-N 300.362 1.871 0 40 DDAB O=c1/c(=C/c2ccc(O)cc2O)sc2nc3ccccc3n12 198049758 ABRWUCYGXJYDMQ-AUWJEWJLSA-N 310.334 1.868 0 40 DDAB O=C1CNC(=O)N1CCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 97377098 NWOFOOLPDPMNJY-KGLIPLIRSA-N 305.353 1.603 0 40 DDAB CS(=O)(=O)CCN1CCN(c2ccc(F)cc2Cl)CC1 96485226 KARATUMPKJDGBS-UHFFFAOYSA-N 320.817 1.646 0 40 DDAB CC(C)[C@H](NC1CCOCC1)C(=O)N[C@@H](C)c1cnn(C)c1 96486800 PZRSCOLEMVLVFQ-WFASDCNBSA-N 308.426 1.391 0 40 DDAB COc1ccc2c(c1)CCN(C(=O)N=c1nc(C)[nH]o1)CC2 333492991 JGNFGCCDNJQUHK-UHFFFAOYSA-N 302.334 1.441 0 40 DDAB Cc1cnc([C@H](NC(=O)NCC[S@@](C)=O)C2CC2)s1 96440357 ALRXWRGKWHOJQR-DGIBIBHMSA-N 301.437 1.580 0 40 DDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccccc1 96041982 HULBOWVVRBLJJD-YQQAZPJKSA-N 305.374 1.860 0 40 DDAB c1cnc(NCc2noc3c2CN([C@@H]2CCOC2)CC3)nc1 96259737 XVTOYVOXAGVCMT-LLVKDONJSA-N 301.350 1.224 0 40 DDAB CCCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 96239125 LPCCJBQSHRVUJO-HNNXBMFYSA-N 323.418 1.250 0 40 DDAB Cc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)NC3CC3)O[C@@H]2C1 96206653 CCWNJDVDVMLWOE-IACUBPJLSA-N 321.446 1.710 0 40 DDAB CCc1cc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)no1 257307331 SYFJUUQRCMYJLP-JTQLQIEISA-N 302.334 1.752 0 40 DDAB CN(C)C[C@]1(O)CCN(C(=O)c2csc3c2CCCC3)C1 257272786 NDWGCMMZCONKFK-MRXNPFEDSA-N 308.447 1.766 0 40 DDAB CC(=O)N1CCC(c2cnc(N3C(=O)OC[C@H]3C)cn2)CC1 257323936 WMMRDSBQYTYRLM-SNVBAGLBSA-N 304.350 1.548 0 40 DDAB CNC(=O)C[C@@H]1CN(C(=O)c2occc2C)Cc2ccnn21 253478840 NIJUUZBQDBMPIN-GFCCVEGCSA-N 302.334 1.118 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccccc3Br)C[C@@H]2N1 257328973 XHVJDWQEBVJPEW-RYUDHWBXSA-N 311.179 1.148 0 40 DDAB Fc1ccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)cc1F 257293524 QPWKHGWCPNYBJG-OAHLLOKOSA-N 309.316 1.970 0 40 DDAB Cc1cc(O)nc([C@@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257216668 CVPRPOCWPPZDCD-AWEZNQCLSA-N 317.393 1.842 0 40 DDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CCC(=O)O)C[C@@H]21 257290001 QBBAQDWJWFMZCA-FRRDWIJNSA-N 318.377 1.015 0 40 DDAB Cc1nc(NC(=O)[C@@H](C)N2CCC(C(N)=O)CC2)sc1C 26897971 GNQRFMCMXRMWAJ-SECBINFHSA-N 310.423 1.284 0 40 DDAB CCc1cnccc1C(=O)Nc1cccc(S(N)(=O)=O)c1 390833853 NZZQIIYZNTZQMB-UHFFFAOYSA-N 305.359 1.544 0 40 DDAB CCN1CC[C@]2(CN(C(=O)c3ccncn3)CC(F)(F)C2)C1=O 585093435 WKWTYQSANPHMRC-AWEZNQCLSA-N 324.331 1.196 0 40 DDAB CCOC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1CS(=O)(=O)C2 687795829 LKDXBWHTSMGFRA-GDBMZVCRSA-N 323.414 1.096 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](n2cccn2)C1 69431912 GWMWUJVWPGWDJR-CJNGLKHVSA-N 313.357 1.887 0 40 DDAB CCNC(=O)C[C@@H]1CCCN1Cc1nc(=O)c2ccccc2[nH]1 72292304 DOJUYLIXJXLZMA-LBPRGKRZSA-N 314.389 1.414 0 40 DDAB CCc1cnc(OC2CCN(C[C@H]3CC(=O)N(C)C3)CC2)nc1 1776009082 HQWQDSCKNPGZGT-AWEZNQCLSA-N 318.421 1.361 0 40 DDAB C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1NS(C)(=O)=O 56959807 GWUNKQQWFAGYKB-GXFFZTMASA-N 312.391 1.414 0 40 DDAB O=S(=O)(NCCc1cccnc1)c1ccc2c(c1)CCO2 40496171 XUGNUQOJFSUUIU-UHFFFAOYSA-N 304.371 1.538 0 40 DDAB CS(=O)(=O)CC[C@H](N)C(=O)N1CCC2(CCCCC2)CC1 61820907 PUOUVJDWCVHUPP-ZDUSSCGKSA-N 316.467 1.321 0 40 DDAB Cc1cccc2nc(CNS(=O)(=O)N3CCCC3)n(C)c12 84230027 XGGMTSHPKFOUNJ-UHFFFAOYSA-N 308.407 1.312 0 40 DDAB CC(C)N1C(=O)N[C@@]2(CCN(CCNC3CCCCC3)C2)C1=O 84597347 XLPODGGAKOFOLA-QGZVFWFLSA-N 322.453 1.313 0 40 DDAB CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 96009707 UJUSIFSNVDMQBB-HIFRSBDPSA-N 309.454 1.480 0 40 DDAB C[C@H](c1ccncc1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100018601 IZTDDJXWSQKAAY-HMXKMONRSA-N 300.314 1.009 0 40 DDAB CCC[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 1575973 LDWKLEOJLPWEIE-YPMHNXCESA-N 322.361 1.671 0 40 DDAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N1CCOCC1 5774343 LAMSGVAMTJFMID-LBPRGKRZSA-N 320.370 1.504 0 40 DDAB C[C@H]1CCCCN1C(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146661 HGYVAQCBUSJLCM-NSHDSACASA-N 316.361 1.487 0 40 DDAB Cc1c(S(=O)(=O)N2CCC[C@@H](c3cnccn3)C2)cnn1C 12252686 BEQJFMOGCHFQLS-GFCCVEGCSA-N 321.406 1.087 0 40 DDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1cccnc1)CS2 12667183 VCIUBBYGUQTNCN-LBPRGKRZSA-N 316.386 1.300 0 40 DDAB Cc1cc(C)cc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)c1 13636926 LFLAFJKQWMPHKF-NWDGAFQWSA-N 322.386 1.317 0 40 DDAB CN(C)CCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 13717420 JQHJYTJBPGBZFH-UHFFFAOYSA-N 317.389 1.131 0 40 DDAB CCn1cc(CN(C)S(=O)(=O)c2cn(C)nc2C)c(C)n1 14226414 LXGUZSDSHFEKEG-UHFFFAOYSA-N 311.411 1.074 0 40 DDAB CCOc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc1OC 19533705 SQNBRMTXJLAEGL-CWRNSKLLSA-N 320.433 1.733 0 40 DDAB O=C(c1ccc(=O)[nH]n1)N1CCS[C@@H](c2ccco2)CC1 207005138 BMODRBANGAPGKR-GFCCVEGCSA-N 305.359 1.683 0 40 DDAB CCn1c(S[C@H](C)C(=O)OC)nc2c(c1=O)S[C@H](C)C2 250320 DYKNZIPFCUGFRI-HTQZYQBOSA-N 314.432 1.954 0 40 DDAB Cn1cc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)cn1 643913640 CXPSAFIANDCCAC-WBVHZDCISA-N 303.381 1.985 0 40 DDAB Cc1nn(CCNC(=O)[C@H]2CCOC2)c(C)c1-c1ccco1 575607010 TWZNZZSYRVBMHP-ZDUSSCGKSA-N 303.362 1.913 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCNC[C@@H]1c1ccccc1 1848352462 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O=C1C[C@H](N(C(=O)/C=C/c2c(F)cccc2F)C2CC2)C(=O)N1 100712303 GFIOUCVGDCBUNT-YBJDMEARSA-N 320.295 1.384 0 40 DDAB NC(=O)NCc1ccc(C(=O)N2CCOc3ccccc32)cc1 40516653 MLAJOHOGGKWAOW-UHFFFAOYSA-N 311.341 1.894 0 40 DDAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1 51357069 NMYCZJRYYRIIHX-UHFFFAOYSA-N 317.297 1.539 0 40 DDAB O=C(COCc1nc2ccccc2s1)NC[C@@H]1CCOC1 41373250 NBHNKZQGQZBUHQ-NSHDSACASA-N 306.387 1.966 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@@H](C)[C@@H](C)n1cc(C)cn1 104083986 LWEIWNITNHDGNN-WPXCHONJSA-N 318.425 1.398 0 40 DDAB CC(C)=CCN1CCN(CCCn2cccn2)C[C@@H]1CCO 22932824 MHGNUCUNLVOXPO-KRWDZBQOSA-N 306.454 1.608 0 40 DDAB COc1ccc(Nc2nc(NCCCO)nc3[nH]ncc23)cc1 23135961 ZOHOTJNQILHKEV-UHFFFAOYSA-N 314.349 1.899 0 40 DDAB COc1ccc(C(=O)NCC(=O)NC(C)C)cc1OC(F)F 47771297 FKGOHYYAZZNSLL-UHFFFAOYSA-N 316.304 1.551 0 40 DDAB CSC[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1 77105345 PQFRGRJLAXTRRE-LLVKDONJSA-N 309.840 1.732 0 40 DDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1Cl 78815977 ILARDYZYXAQUBP-UHFFFAOYSA-N 318.826 1.829 0 40 DDAB CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 79421587 QKHJAPOJYVVIIL-UONOGXRCSA-N 319.405 1.992 0 40 DDAB C[C@H](c1cccnc1)N1CCN(c2ccc3nncn3n2)[C@H](C)C1 106660045 HADZOJCTEIWSBK-ZIAGYGMSSA-N 323.404 1.791 0 40 DDAB CCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1 25391800 SCWSOCGSDKNOPJ-UHFFFAOYSA-N 309.391 1.353 0 40 DDAB Cn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cn1 25305661 YKKSYLIYSAENKR-GFCCVEGCSA-N 321.768 1.812 0 40 DDAB O=C(NCc1cn[nH]n1)[C@H]1CCCN(C(=O)c2cccs2)C1 97011653 GDSQZIXYCDJWDQ-JTQLQIEISA-N 319.390 1.035 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1 4497846 JOMCDZRNPJSYQF-CYBMUJFWSA-N 305.378 1.234 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)OCc1nc(N)nc(N)n1 6988059 CCCYZRICBCBHBN-UHFFFAOYSA-N 323.740 1.120 0 40 DDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(F)(F)F)C1 27350590 FRUALRSAJPAVRL-RKDXNWHRSA-N 318.347 1.855 0 40 DDAB CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20492795 ZMRSSFOMPIQLPL-LLVKDONJSA-N 318.782 1.003 0 40 DDAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@@H]1N23 50353392 BUANTXPATFEOJA-QMVSFRDZSA-N 323.389 1.313 0 40 DDAB COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1 28466005 NOAACYKZOQIMSD-LLVKDONJSA-N 313.313 1.068 0 40 DDAB C[C@@H](NC(=O)CCc1ccccc1Cl)C(=O)N1CCOCC1 58226968 VPCLZUCUABSNCA-GFCCVEGCSA-N 324.808 1.636 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1ccn(-c2ccccc2)n1 44943449 CFAFYZYMVZALSX-CQSZACIVSA-N 314.389 1.323 0 40 DDAB COc1cc(OC)c([C@@H](CN)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 108350097 IUPYXDQHHMQQBS-MBNYWOFBSA-N 324.421 1.821 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2)C1 10384133 FRKAPDKZESAWLZ-CABCVRRESA-N 307.390 1.701 0 40 DDAB Cc1cc(C(=O)N2CCSCC2)ccc1NCC(=O)N(C)C 58343757 BXGZFEXZWJGNAV-UHFFFAOYSA-N 321.446 1.684 0 40 DDAB Cc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 9875782 HROQQYZDGMVTHR-OAHLLOKOSA-N 317.389 1.850 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1C[C@@H]2[C@@H](C1)CN1CCCC[C@H]21 110618284 VSIHOIRCGNTOAP-QKPAOTATSA-N 307.438 1.681 0 40 DDAB Cc1ccc([C@H](O)CNCc2c(C)nn(C)c2N(C)C)cc1 58432754 GSTPWPRVCGSIPI-MRXNPFEDSA-N 302.422 1.926 0 40 DDAB C[C@@H](NC(N)=O)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 45291745 VSMBRXVFMPDXEN-LLVKDONJSA-N 324.812 1.041 0 40 DDAB NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547022 IXIUIFUVUHWSIT-UHFFFAOYSA-N 303.293 1.142 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(-c3cccnc3)on2)c(=O)[nH]1 72281272 CFCVJHCREHNNFU-UHFFFAOYSA-N 324.340 1.972 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccc2)[nH]n1 46888179 PRQIAJNRPWRBRQ-CYBMUJFWSA-N 314.389 1.527 0 40 DDAB C[C@H]1COCCN1[C@H](C)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O 110706455 DOUKKRWAPAYENX-BARDWOONSA-N 318.483 1.041 0 40 DDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@H]2[C@H](C)O)cc1 95993520 GMDIKSOURPJQAV-NNBCDOKZSA-N 316.401 1.821 0 40 DDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCC[C@@H]1O 72301332 UOEQLRREFAOQPN-OBJOEFQTSA-N 308.378 1.311 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)N(C)Cc2cc(C)on2)CC1 48275516 RVQASCSIIGXYGX-CYBMUJFWSA-N 323.441 1.150 0 40 DDAB CNC(=O)CN(C)C(=O)c1cccc(OCc2cscn2)c1 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DDAB CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 95413256 MPNNDWPDOAQZNN-GXTWGEPZSA-N 307.369 1.979 0 40 DDAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccco1 28048245 JLSGWTOWBMAOAY-GFCCVEGCSA-N 303.322 1.898 0 40 DDAB CCN1C[C@@H](C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1=O 66488648 LALOYAJZUPHTFI-VIFPVBQESA-N 323.324 1.811 0 40 DDAB COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2C)C1 96415068 ADDBEBYSQKTPNN-GFCCVEGCSA-N 321.402 1.905 0 40 DDAB Nc1nc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[nH]1 8015757 HLGHEYMBZPZIPP-UHFFFAOYSA-N 307.162 1.668 0 40 DDAB CN(C(=O)CN1CCCC[C@H]1Cn1cccn1)c1nccs1 70039899 BXZROLYNQUERLD-ZDUSSCGKSA-N 319.434 1.857 0 40 DDAB CCn1c(CNCC2CCN(CCO)CC2)nc2ccccc21 69385866 QCUONXNWODRELO-UHFFFAOYSA-N 316.449 1.850 0 40 DDAB Cc1cnn(C2CCN(C(=O)COC[C@@H]3CCCO3)CC2)c1 71900783 VJQZAQUFFKXDOF-HNNXBMFYSA-N 307.394 1.551 0 40 DDAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccon2)c1 71916442 GWPQEVMNGJECFV-UHFFFAOYSA-N 309.347 1.106 0 40 DDAB Cc1cccn2cc(CNc3ncc(S(N)(=O)=O)s3)nc12 91628460 NPWKLXLFFXGJLY-UHFFFAOYSA-N 323.403 1.359 0 40 DDAB O=C(NCCCO)Nc1ccc(CCC(=O)N2CCCC2)cc1 72026034 GRJPNVKJGBZKPY-UHFFFAOYSA-N 319.405 1.746 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](CN2CCOCC2)C1 69711174 RXRPPSUBJBLLLA-INIZCTEOSA-N 320.408 1.939 0 40 DDAB CCc1cc(=O)[nH]c(SCC(=O)NCCc2ccccc2)n1 18030002 UAWCDGYEVLUUCH-UHFFFAOYSA-N 317.414 1.783 0 40 DDAB O=[S@@](CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1 69841463 REUPCBULWZEOQR-OYHNWAKOSA-N 318.446 1.798 0 40 DDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nnc(C2CC2)o1 69819856 RPTWNBCRNJOXIE-KGLIPLIRSA-N 304.394 1.922 0 40 DDAB CN(C)C(=O)Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71285112 QLWOAIMSJKYMEJ-KGLIPLIRSA-N 318.373 1.613 0 40 DDAB CCc1nc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cs1 97058216 SAGFFZFAJKPUGP-SNVBAGLBSA-N 322.434 1.516 0 40 DDAB NS(=O)(=O)c1ccc(CNc2ncccc2C(=O)O)cc1 89773324 XUVIARPIVXIJIK-UHFFFAOYSA-N 307.331 1.039 0 40 DDAB O=c1ccc(C(F)(F)F)nn1Cc1nnnn1-c1ccccc1 89857535 KKHGYBMYEDQYLT-UHFFFAOYSA-N 322.250 1.286 0 40 DDAB CC[C@@H](Sc1ccccc1)C(=O)N1CCN(C(N)=O)CC1 89941859 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1.883 0 40 DDAB O=C(NCC1(c2ccccn2)CCC1)N[C@H]1CC[S@](=O)C1 571830614 BSFMJEMLQPLNTK-QKVFXAPYSA-N 307.419 1.324 0 40 DDAB CCOc1ccc(S(=O)(=O)NCC(C)(F)F)cc1C(=O)O 572492470 XYQOOEZTGPTFOI-UHFFFAOYSA-N 323.317 1.717 0 40 DDAB CC(C)(C)N1C[C@@H](Nc2nnnn2-c2ccccc2)CC1=O 80674491 UYEIVOYDIGPUGA-NSHDSACASA-N 300.366 1.474 0 40 DDAB Cc1ccc(CN2CC[C@@H](NS(=O)(=O)C3CC3)C2=O)cc1 190602377 FJFDNYWOEQNLMH-CQSZACIVSA-N 308.403 1.178 0 40 DDAB Cc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2C[C@H](C)O)c1 96487119 JMGCJBMCZZRPFZ-DZGCQCFKSA-N 304.390 1.487 0 40 DDAB CN(C)C[C@]12COC[C@H]1CN(C(=O)/C=C/c1cccs1)C2 96108269 VUFFXIGQDJHOLD-NHXPHFSRSA-N 306.431 1.798 0 40 DDAB O=C([C@H]1OCCc2ccccc21)N1CCNC[C@H]1c1ccncc1 333307537 RECLUONEUQIEJE-ROUUACIJSA-N 323.396 1.869 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCn1nc(C)cc1C)C2 97198125 URXUCKKWSGCJCR-CQSZACIVSA-N 301.394 1.526 0 40 DDAB Cc1nc(N2CCOCC2)c(Br)cc1C(=O)O 95097591 UVUJAVRCNMDJRB-UHFFFAOYSA-N 301.140 1.687 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 96066279 VUBGDGLXKQDIJQ-MAZHCROVSA-N 318.373 1.141 0 40 DDAB Cc1noc([C@H]2COC[C@H]3CN(C(=O)c4occc4C)C[C@H]32)n1 96040734 ZIFZCUGNRANFJX-UPJWGTAASA-N 317.345 1.782 0 40 DDAB COCC(=O)N1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 96489634 SKZGCGMZXDSUNO-UHFFFAOYSA-N 306.406 1.603 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc2n(n1)CCCO2 90626830 MMBOQVRLKKSCEC-LLVKDONJSA-N 315.329 1.235 0 40 DDAB CNC(=O)c1cc(C[C@@H]2CCCN(c3ncccn3)C2)ncn1 257258659 KUZIFGYHRLDDTE-LBPRGKRZSA-N 312.377 1.085 0 40 DDAB O=S(=O)(c1cccc(Cl)c1)N1CC(N2CCCC2)C1 1256760157 ULTAKRDTVYGXHL-UHFFFAOYSA-N 300.811 1.809 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccno1 252518138 ADENAITZRMVZOH-XYPYZODXSA-N 306.297 1.724 0 40 DDAB COCc1cccc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)c1 257268151 MKMFICSUWYPCTN-RDJZCZTQSA-N 305.374 1.853 0 40 DDAB Cc1ncsc1C(=O)NCCn1ccc2ccoc2c1=O 253472651 OCNHSGICHZWBFJ-UHFFFAOYSA-N 303.343 1.789 0 40 DDAB COc1ccccc1[C@H]1CN(Cc2ccn(C)n2)CCN1C 257214009 CKCAMNJYYWMGKW-MRXNPFEDSA-N 300.406 1.917 0 40 DDAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1 257209387 BQDZLNWCXVTCGA-CQSZACIVSA-N 321.402 1.955 0 40 DDAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](OC)CCO2)C1 575402589 CRRIORFMHWVVOC-GFCCVEGCSA-N 308.378 1.956 0 40 DDAB Cc1ccc(C[C@@H]2CN(C(=O)c3nccn3C)CC[C@@H]2O)cc1 585275480 CQHTVMGRYAQXTN-CVEARBPZSA-N 313.401 1.794 0 40 DDAB Cc1ccc(OC[C@]2(O)CCN(CC(=O)NC3CCC3)C2)cc1 585275332 AOHQQOXFUAJQRC-SFHVURJKSA-N 318.417 1.479 0 40 DDAB COC[C@H]1CCn2nccc2CN1C(=O)C1CCSCC1 585097813 QQTMHMPUNGPHFE-CQSZACIVSA-N 309.435 1.774 0 40 DDAB O=C(Cc1ccncc1)N1CC[C@](O)(COc2ccccc2)C1 585279122 VBQLOZDKGALNLJ-GOSISDBHSA-N 312.369 1.667 0 40 DDAB C[C@H]1NCCCN(CCO)CCCN[C@H](C)c2cccc1n2 68605066 FUCMCCJMAABLHS-HUUCEWRRSA-N 306.454 1.471 0 40 DDAB CC1(C)CN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CCO1 1551557046 DFJVJQFLIJLRJM-CHWSQXEVSA-N 321.343 1.349 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 71821063 SKQUIBATSLBETI-GFCCVEGCSA-N 302.378 1.019 0 40 DDAB Cc1cccc(NC(=O)NC(=O)CN(C)C[C@H]2CCOC2)c1C 75105037 YSQBOUAVEQGSNE-CQSZACIVSA-N 319.405 1.920 0 40 DDAB CC[C@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1C[C@@H](C)O 75132863 XSJRTVIUOIIZDN-CABCVRRESA-N 323.437 1.015 0 40 DDAB Cc1n[nH]c([C@H]2CN(Cc3cn4cccc(C)c4n3)CCO2)n1 76047894 USNXSUBQKIAYRI-CQSZACIVSA-N 312.377 1.643 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cnc2ccccc2n1 84603894 IUTZKECAVVWQPS-OLZOCXBDSA-N 312.373 1.223 0 40 DDAB COCC(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467368 NJWDMWFAUKMWSB-AWEZNQCLSA-N 308.353 1.122 0 40 DDAB CN(C)S(=O)(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 95986218 OIAZIVARNZVNSJ-ZDUSSCGKSA-N 302.371 1.130 0 40 DDAB NC(=O)C1CCN(C(=O)c2csc(Br)c2)CC1 35222320 DOKGWXUNEWXANV-UHFFFAOYSA-N 317.208 1.848 0 40 DDAB COC(=O)[C@@H]1c2ccccc2CC(=O)N1NC(=O)c1ccccc1 5640639 PIHMBPPUZNOXCU-INIZCTEOSA-N 324.336 1.630 0 40 DDAB COc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1 15986786 VGUYVAAQEGTIDN-UHFFFAOYSA-N 319.346 1.994 0 40 DDAB CC(C)CN1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1 19700373 KNPLSVPRSVLSOQ-UHFFFAOYSA-N 322.453 1.123 0 40 DDAB CCCNC(=O)[C@@H]1CCN(C(=O)c2cn3cccc(C)c3n2)C1 19747569 HCRKPXIWCYSBDV-CYBMUJFWSA-N 314.389 1.631 0 40 DDAB O=C(NC[C@@H]1CCCO1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373785 WLUMZGDYYJHYKV-OCCSQVGLSA-N 321.352 1.409 0 40 DDAB O=C(Nc1ccc(SCC(=O)N2CCCC2)nn1)C1CC1 13701944 HKNXEQKWABMPRB-UHFFFAOYSA-N 306.391 1.540 0 40 DDAB CC(C)OCCCNC(=O)N1CCN(c2nccs2)CC1 36397150 BOFIAHWEIKTJMB-UHFFFAOYSA-N 312.439 1.790 0 40 DDAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O 15083206 BQTVUFVSWJPWQV-DXCKQFNASA-N 316.357 1.734 0 40 DDAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]1C(=O)O 35301302 MLTKKOOZHUMUNS-JTQLQIEISA-N 316.810 1.909 0 40 DDAB Cc1cnccc1CN1CC[C@@H]2OCC(=O)N(C(C)C)C[C@H]2C1 2037980676 DPHKICKBHMFKEU-SJORKVTESA-N 317.433 1.848 0 40 DDAB O=C(NCc1ccco1)c1nc(Cn2cc(Cl)cn2)no1 12374910 LNVDMJVJBROKTB-UHFFFAOYSA-N 307.697 1.491 0 40 DDAB COc1cccc2cc(S(=O)(=O)N3CCCCC3)c(=O)oc12 15862191 HQBWMGDVXWJMOA-UHFFFAOYSA-N 323.370 1.976 0 40 DDAB CC(C)(C)OC(=O)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775969404 PCCFBDFZOIVLDB-UHFFFAOYSA-N 305.378 1.988 0 40 DDAB O=C(CN1C(=O)CCC1=O)NCC1(c2ccc(F)cc2)CC1 38591179 RAVYWMGAXYCTCB-UHFFFAOYSA-N 304.321 1.123 0 40 DDAB CCOC(=O)CNC(=O)c1ccc(O[C@H]2CCSC2)nc1 225712661 KJUNUJCSCBORTP-NSHDSACASA-N 310.375 1.259 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)N1Cc2cccnc2C1 550118772 UQRIFGHKINGMMC-UHFFFAOYSA-N 320.352 1.724 0 40 DDAB O=C(O)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20201038 ZRTLHIYSXAKRER-JTQLQIEISA-N 324.764 1.674 0 40 DDAB NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1F 31553348 ZVXUPERXBBQCOI-UHFFFAOYSA-N 300.355 1.536 0 40 DDAB CC(C)OCCCNC(=O)NC[C@@H]1COc2ccccc2O1 40498129 QBFVFFAKALPERR-CYBMUJFWSA-N 308.378 1.941 0 40 DDAB Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1N 111697 CLGYHGJVTCZBQV-UHFFFAOYSA-N 303.391 1.372 0 40 DDAB NC(=O)N1CCC[C@H](C(=O)NCc2nc3ccccc3s2)C1 32954273 ARIBKPMWXXTUGM-JTQLQIEISA-N 318.402 1.703 0 40 DDAB C[C@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@H](C)O1 52735268 HYFCZJRVPRBHJT-BVAIOKDQSA-N 318.373 1.200 0 40 DDAB NC(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 502839 NFKZYWHUPIFVRZ-UHFFFAOYSA-N 313.382 1.841 0 40 DDAB C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc2c(c1)NC(=O)CO2 47511651 XXSPHCULDCAKGZ-UWVGGRQHSA-N 315.333 1.047 0 40 DDAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(c2ccccn2)CC1 23995514 PKLQVVAEFXTBIA-INIZCTEOSA-N 324.428 1.909 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 61721801 HPMSOGMTZQIJAR-NEPJUHHUSA-N 315.333 1.266 0 40 DDAB CCC(=O)N1C(=O)[C@H](C)[C@]23c4ccccc4C(=O)N2CCCN13 1590507 RRQUVGMUTHUYRK-GTNSWQLSSA-N 313.357 1.331 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2ccc(C)cc2)c1C 55279163 UYQZRIFEIGJWSS-UHFFFAOYSA-N 316.361 1.566 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 2642903 YVGMJQWREYUFAN-UHFFFAOYSA-N 304.371 1.525 0 40 DDAB CC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=O)N[C@]1(O)C(F)(F)F 4009140 JHDZPJDJVWEPKT-HOSYDEDBSA-N 320.242 1.636 0 40 DDAB O=C(NCc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 6700420 NMPXEGHKSJAYML-XQHKEYJVSA-N 307.733 1.610 0 40 DDAB C[C@@H]1CN(C(=O)CNc2ccc(C(N)=O)c(Cl)c2)CCO1 25738195 GBGHXWRECZPINZ-SECBINFHSA-N 311.769 1.098 0 40 DDAB O=C1CN(Cc2c(-c3ccccc3)nc3sccn23)CCN1 57292124 BFAWFYTYSSAMPY-UHFFFAOYSA-N 312.398 1.995 0 40 DDAB O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108057093 FSIPZHQTERDAKY-CWRNSKLLSA-N 313.401 1.802 0 40 DDAB CN1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2Cl)nn1 57557131 JYXVPLRIWTUPEX-NSHDSACASA-N 319.796 1.745 0 40 DDAB Cc1nn(C)cc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 97080805 NDMSMGCTMFKNFJ-UHFFFAOYSA-N 314.324 1.829 0 40 DDAB Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C)C(=O)O)ccc12 35686316 JDFKUGFBHKTWRB-JTQLQIEISA-N 319.313 1.378 0 40 DDAB C[C@H]1CCCCN1CCNC(=O)C1CCN(C(=O)N(C)C)CC1 44533020 FNIVYPIRLKAERT-AWEZNQCLSA-N 324.469 1.371 0 40 DDAB CCNC(=O)NC(=O)[C@H](C)n1nnc(-c2ccc(F)c(C)c2)n1 58192674 DYEGLQMCSPTSOG-VIFPVBQESA-N 320.328 1.194 0 40 DDAB CN(C)C(=O)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O 58193893 KYIQJVCEEHXQOA-GFCCVEGCSA-N 321.402 1.084 0 40 DDAB C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)[C@@H]1CCCO1 44966672 PUWNRFJBAGQRSJ-NEPJUHHUSA-N 307.398 1.371 0 40 DDAB COCCn1cc(NC(=O)NC[C@@H](O)c2ccc(C)cc2)cn1 44971261 HFYBOHAKQADBIJ-OAHLLOKOSA-N 318.377 1.693 0 40 DDAB Cc1ccc2ncc(C(=O)NCCCOC(C)C)c(=O)n2c1 9830050 DQCZGSFCZJUFFG-UHFFFAOYSA-N 303.362 1.548 0 40 DDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCCCNC1=O 58392178 RIQONGJWBPCDPD-CYBMUJFWSA-N 307.442 1.368 0 40 DDAB O=C(Cn1ccccc1=O)NCCN1CCc2ccccc2C1 45076665 DYAKUTWRIBFXLZ-UHFFFAOYSA-N 311.385 1.023 0 40 DDAB Cc1noc(C)c1CCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 28017095 UETVHFUHPMXVLD-OAHLLOKOSA-N 323.437 1.697 0 40 DDAB CNC(=O)c1cccc(CNCc2c(C)nn(C)c2N(C)C)c1 58415095 BFBCKRJSWZZIPL-UHFFFAOYSA-N 315.421 1.444 0 40 DDAB O=C(C[C@@H]1CCCCO1)Nc1cc2c(=O)[nH]cnc2cc1F 97109420 IEMXNJUCMOMVQO-VIFPVBQESA-N 305.309 1.960 0 40 DDAB C[C@H](NC(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1)c1nncn1C 72312641 DWFWLSUMTWXVAZ-BFQNTYOBSA-N 323.441 1.753 0 40 DDAB Cc1cnc2c(S(=O)(=O)NC[C@H]3CCOC3)cccc2c1 45743029 DCJKWUZXILYRMY-GFCCVEGCSA-N 306.387 1.858 0 40 DDAB O=C(CN1CCSC1=O)Nc1ccc(-n2cccn2)nc1 29198323 ZZMXUAIQJHIOLZ-UHFFFAOYSA-N 303.347 1.375 0 40 DDAB COc1ccc(C)cc1CCNC(=O)[C@@H](CC(C)C)NC(N)=O 29555511 MHLNPLHFROZZMF-CQSZACIVSA-N 321.421 1.745 0 40 DDAB CCN1C[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1=O 46354765 RMIHISIDDBFWID-ZFWWWQNUSA-N 320.364 1.594 0 40 DDAB O=C(NCCCN1CCc2ccccc2C1)c1ccc[nH]c1=O 29841011 NWJUTKFYXMPCGS-UHFFFAOYSA-N 311.385 1.553 0 40 DDAB O=C([C@H]1CCCN1c1ncnc2sccc12)N1CCOCC1 46483956 FIXJVUMVZDJLRO-GFCCVEGCSA-N 318.402 1.519 0 40 DDAB COC(=O)c1cccc(COC(=O)CN(C)c2ncccn2)c1 37176169 AZOUKJWXDHNBRV-UHFFFAOYSA-N 315.329 1.443 0 40 DDAB Cc1ccc2cc(C(=O)N3C[C@@H](CO)OC[C@@H]3C)ccc2n1 97230324 JQCQMRSTBMDAJU-WFASDCNBSA-N 300.358 1.765 0 40 DDAB CCOC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 58014506 OUVULGODGMMJHB-COPLHBTASA-N 318.373 1.963 0 40 DDAB C[C@@H](C(N)=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 47262567 CPHFFUVZJUXFPR-VIFPVBQESA-N 310.785 1.259 0 40 DDAB O=C(CCN1CCN(c2ccccn2)CC1)N1CCSC1 72973495 KTSPYSZHECXAHL-UHFFFAOYSA-N 306.435 1.127 0 40 DDAB NC(=O)CN1CCC(NC(=O)c2cc3ccccc3o2)CC1 48254096 KYURJBAKEKJZBW-UHFFFAOYSA-N 301.346 1.112 0 40 DDAB O=c1ccc(-c2ccccc2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2 100736844 RUSSTMVFYKPPQO-HUUCEWRRSA-N 311.385 1.556 0 40 DDAB O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1CO 28443476 OCTDNKIOCIDWNZ-UHFFFAOYSA-N 312.325 1.222 0 40 DDAB Cc1ccc(NC(=O)CNCCCN2CCCC2=O)c(C)c1 3339040 WYUKYODQXMFYJW-UHFFFAOYSA-N 303.406 1.844 0 40 DDAB COc1ncccc1C(=O)NC[C@H](C(C)C)N1CCOCC1 48331711 CWVOPRLQCUBDMS-CQSZACIVSA-N 307.394 1.177 0 40 DDAB CS(=O)(=O)N1CCC[C@]2(C[C@@H](Nc3nccs3)CO2)C1 107787758 LAYQWRQDIODHHC-PWSUYJOCSA-N 317.436 1.138 0 40 DDAB CS(=O)(=O)c1ccc(NCC2CC2)c(S(C)(=O)=O)c1 48366036 CXSIIIKWIULNOM-UHFFFAOYSA-N 303.405 1.316 0 40 DDAB O=C(c1ccc(S(=O)(=O)C[C@H]2CCCO2)nc1)N1CCCC1 84425430 FGYKOJXSSZJAKJ-CYBMUJFWSA-N 324.402 1.270 0 40 DDAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NC(N)=O 3521887 JZQKPTAHOOYVBE-MRVPVSSYSA-N 305.363 1.158 0 40 DDAB Cc1cccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)n1 12907924 UDNLGTOETNSSFS-UHFFFAOYSA-N 314.370 1.960 0 40 DDAB COc1cc(C(=O)N2CCCS2(=O)=O)cc(Cl)c1OC 48762660 LPXLOWZHOGHVIS-UHFFFAOYSA-N 319.766 1.533 0 40 DDAB Cc1ncc2c(c1O)[C@@H](c1c(O)n(C)c(=S)n(C)c1=O)OC2 3999910 CNVMFUBBVIQIQW-NSHDSACASA-N 321.358 1.188 0 40 DDAB biogenic O=C(COCC(=O)N1CCOCC1)Nc1ccc(Cl)cc1 9095094 JEPMLZMPGMKOQM-UHFFFAOYSA-N 312.753 1.154 0 40 DDAB COc1ccc(CC(=O)N2CCC(CC(N)=O)CC2)c(OC)c1 49394069 AKRGHJHDQIUPJS-UHFFFAOYSA-N 320.389 1.360 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(O)=Nc3nncn32)c1 49544818 FYAHLPQQMPDYJJ-JTQLQIEISA-N 317.305 1.467 0 40 DDAB O=C1C(=O)N(S(=O)(=O)c2ccc(F)cc2)c2ccccc21 4105410 PZFKIMPUGCDFIG-UHFFFAOYSA-N 305.286 1.744 0 40 DDAB COC[C@@H](C)NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 65412591 CXCRLHAOVFIVRV-GFCCVEGCSA-N 317.393 1.718 0 40 DDAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN(c2cnccn2)C1 65513212 PXEWHLBWUHXYJN-TZMCWYRMSA-N 306.366 1.267 0 40 DDAB CCN(C(=O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4504806 JWWCFOFDQIVORV-LBPRGKRZSA-N 315.366 1.240 0 40 DDAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)NC(N)=O 6544007 JMIMOQAGTDHHNX-QMMMGPOBSA-N 306.347 1.336 0 40 DDAB O=C(NCc1cccnc1)c1nc(-c2ccc3c(c2)OCO3)no1 4623881 XUTULHHAFICEBS-UHFFFAOYSA-N 324.296 1.790 0 40 DDAB CCN1C[C@H](C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1=O 66693574 SZDHFQLNUQCRQV-HIFRSBDPSA-N 320.364 1.594 0 40 DDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 90020302 KRHALIOEBWEHHO-CQSZACIVSA-N 317.389 1.706 0 40 DDAB C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 67517709 ZCYYRPCWEZBVJE-MGPQQGTHSA-N 306.406 1.953 0 40 DDAB C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H](C)O1 7245325 STFRLYFJWYUYME-RYUDHWBXSA-N 301.346 1.032 0 40 DDAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 22248393 VVGXNRXIKCZRKF-UHFFFAOYSA-N 320.798 1.235 0 40 DDAB CNC(=O)[C@@H]1CN(C(=O)c2ccsc2)c2ccccc2O1 7827538 LYUZQUCAYHWAAW-ZDUSSCGKSA-N 302.355 1.902 0 40 DDAB CC(C)N1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2F)CC1=O 72293219 CVWBEQPXBHNHDK-SMDDNHRTSA-N 323.368 1.168 0 40 DDAB C[C@H]1CN(Cc2cscn2)CCN1c1ccc2nncn2n1 69459080 JPIRBMWYZZDXIT-NSHDSACASA-N 315.406 1.292 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCCO1)C2 69454706 FRLASYQHTZRFEW-STQMWFEESA-N 322.409 1.157 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cn1 71841276 JLJOZRHZOOFNRL-GJZGRUSLSA-N 311.389 1.267 0 40 DDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCS(=O)(=O)CC1 71803911 IMFLOUCDYFYENA-OLZOCXBDSA-N 318.439 1.022 0 40 DDAB C[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C 71864622 CSEANJCHXIBHTN-HUUCEWRRSA-N 315.421 1.154 0 40 DDAB O=C(COC1CCCC1)N1CCC(Nc2cccnn2)CC1 69658736 VOVPRCQYIOIOAT-UHFFFAOYSA-N 304.394 1.839 0 40 DDAB C[C@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1ccco1 69628292 ZJXGZKOLSAESPG-KBPBESRZSA-N 317.393 1.461 0 40 DDAB O=S(=O)(CCC1CC1)NC1CCN(c2ncccn2)CC1 92292899 GDIQFRVHCLDROA-UHFFFAOYSA-N 310.423 1.165 0 40 DDAB CCc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)o1 98010383 YTJZHGDBFVPGJI-LBPRGKRZSA-N 302.334 1.111 0 40 DDAB CCn1nccc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 98211884 JDGFGLFFBWZQTL-UHFFFAOYSA-N 317.393 1.466 0 40 DDAB COCCCNC(=O)CN1CCN(c2cccc(C)n2)C[C@@H]1C 110595572 ILUHOODIHVWNRR-HNNXBMFYSA-N 320.437 1.053 0 40 DDAB CCc1n[nH]c([C@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)n1 89289861 GBYHUFZFCCGTAY-LLVKDONJSA-N 318.381 1.591 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cnns1 89313793 ZUDUNCIDTBDTPV-LBPRGKRZSA-N 316.386 1.317 0 40 DDAB Cc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)c(=O)[nH]1 75118363 JVOMTKORBZHKIY-UHFFFAOYSA-N 300.314 1.385 0 40 DDAB O=C(Nc1ccn(-c2ncccc2Cl)n1)N1CC[C@H](O)C1 89879167 DZNQQSLYKMKOFD-VIFPVBQESA-N 307.741 1.519 0 40 DDAB CC(=O)NCCCSCC(=O)Nc1cccc2nsnc12 89962662 IBRBSPIVIWEACY-UHFFFAOYSA-N 324.431 1.889 0 40 DDAB CCc1ncc(C(=O)NCCNC(=O)c2ccc(O)cc2)s1 65215898 YBQBKQGSCNWVAW-UHFFFAOYSA-N 319.386 1.571 0 40 DDAB C[C@@H](OC[C@H](O)CNC(=O)c1cccnc1)c1ccccc1 63757510 QISAQMPZPPSMNZ-CZUORRHYSA-N 300.358 1.950 0 40 DDAB C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1 34952563 WVAIHONJJYEUMR-ZDUSSCGKSA-N 318.398 1.842 0 40 DDAB COc1coc(C(=O)NC[C@H]2COc3ccccc3O2)cc1=O 524735571 KZGXPKKJUFOSQS-JTQLQIEISA-N 317.297 1.218 0 40 DDAB Cc1ccc(C)c(OC2CCN(C[C@@](C)(O)C(=O)O)CC2)c1 566359450 WHGBRNWEUUGCPS-QGZVFWFLSA-N 307.390 1.982 0 40 DDAB Cc1cc(-c2cncnc2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72365415 FNAONHTUJIFVDJ-ZDUSSCGKSA-N 319.390 1.339 0 40 DDAB COC(=O)C[C@@H](c1cnn(C)c1C)c1c(O)cc(C)[nH]c1=O 72404555 ANVMWASXGNEBTN-JTQLQIEISA-N 305.334 1.126 0 40 DDAB CCCN(CC(=O)NC)C(=O)[C@H]1CCCN1Cc1ccccc1 63656265 GVOZPZGOBIJTFE-MRXNPFEDSA-N 317.433 1.636 0 40 DDAB COc1ccc(Cl)cc1C[C@H](C(=O)O)N1CCN(C)CC1 225149428 QWJXOYIZAXFRMS-CYBMUJFWSA-N 312.797 1.592 0 40 DDAB N=c1nc2c(c[nH]1)CN(C(=O)c1cc(O)nc(C3CC3)c1)CC2 572628947 SFCDWOIBIVUMNX-UHFFFAOYSA-N 311.345 1.066 0 40 DDAB c1cc(CN2C[C@H]3CCC[C@@H](CN4CCOCC4)[C@H]3C2)n[nH]1 96081889 ZYMHPCADCFLXHU-ZMSDIMECSA-N 304.438 1.590 0 40 DDAB COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(C)o2)O1 96055574 UPPUPQIKDXNAQU-KFWWJZLASA-N 308.378 1.082 0 40 DDAB c1ccc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)nc1 96058649 XVDDMSIRYBUXJN-CQSZACIVSA-N 310.401 1.976 0 40 DDAB CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccsc3)C2)C1 96051926 AHMCWAIJFFOKDU-HZPDHXFCSA-N 310.463 1.917 0 40 DDAB Cc1nnc(CN(C)S(=O)(=O)c2ccc(Cl)s2)n1C 96444894 PHRFUVOVPPNKGG-UHFFFAOYSA-N 320.827 1.659 0 40 DDAB CC(C)CNC(=O)CN1CCNC(=O)[C@@H]1c1ccccc1Cl 96502313 LVZYWUKRJUIAHE-HNNXBMFYSA-N 323.824 1.585 0 40 DDAB CN(C)C(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224421 GOTBZMYXDGSKFJ-QGZVFWFLSA-N 316.405 1.578 0 40 DDAB Fc1cnc(N2CCC[C@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 96158345 HPCIPRYVNUJZCO-GDBMZVCRSA-N 306.385 1.697 0 40 DDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4ccco4)C3)C2=O)cn1 96159552 DGGPJNOKPRSTGX-INIZCTEOSA-N 314.345 1.282 0 40 DDAB O=C(c1cccs1)N1C[C@H]2CN(c3cncnc3)C(=O)[C@H]2C1 96053661 RQDOCJDRPBJVIT-JQWIXIFHSA-N 314.370 1.273 0 40 DDAB CS(=O)(=O)CCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 96483700 AXJTWJPSEMMGSI-BXUZGUMPSA-N 319.373 1.507 0 40 DDAB CN(C)C(=O)CO[C@H]1CO[C@@]2(CCN(Cc3ccoc3)C2)C1 96107700 MZHOEIXYHJIIIA-ZBFHGGJFSA-N 308.378 1.118 0 40 DDAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(c1ncc(F)cn1)C2 96109169 MOKXWZPFIVPRFR-WBMJQRKESA-N 322.384 1.327 0 40 DDAB CN(C)C[C@H]1CO[C@]2(COCCN(Cc3cccnc3)C2)C1 96051951 CPEBGDBPPODJBJ-DLBZAZTESA-N 305.422 1.251 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)c1ccncc1F)CC2 96084013 IETKOSUWVZIALJ-UHFFFAOYSA-N 315.352 1.318 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1ccccn1)C2 96198061 QUPGINCVTNUEBR-ZDUSSCGKSA-N 300.362 1.684 0 40 DDAB CCOc1ncccc1C(=O)N1CC[C@](O)(CN2CCCC2)C1 257277222 NWXUSKIGNGSXQY-KRWDZBQOSA-N 319.405 1.153 0 40 DDAB COCCN1CCC(Cc2nccnc2-c2cn[nH]c2)CC1 257283391 OYCKMNASKNRBIK-UHFFFAOYSA-N 301.394 1.768 0 40 DDAB c1cc2n(n1)C[C@@H](CN1CCCC1)CN(CC1CCOCC1)C2 253478664 MKENVJZGDBBBAZ-KRWDZBQOSA-N 318.465 1.837 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 252501358 UFCANNNQWMIBGR-MRVPVSSYSA-N 316.283 1.830 0 40 DDAB CCc1nccn1CC(=O)N1CCC[C@H](c2nc(C)cn2C)C1 257333123 YAGMJBQAEIWRSP-AWEZNQCLSA-N 315.421 1.894 0 40 DDAB CN(C)c1ccc(C[C@@H](CO)n2cccc(C(=O)O)c2=O)cc1 257278746 ODMRRNSJWDGXNK-AWEZNQCLSA-N 316.357 1.389 0 40 DDAB O=C(c1ccc2[nH]nnc2c1)N1CCC2(CC1)OCCC[C@@H]2O 257284458 PCTZJPPBHMYFMD-AWEZNQCLSA-N 316.361 1.104 0 40 DDAB Cc1c(CNCCCN2CCOCC2)cnn1CC(F)F 256054482 WMFUYCLWPZGWQX-UHFFFAOYSA-N 302.369 1.269 0 40 DDAB COCCC(=O)N1CC[C@H](c2cn3nccc3c(N(C)C)n2)C1 257267246 MGNQUNYFYDYZTB-LBPRGKRZSA-N 317.393 1.148 0 40 DDAB O=C(O)C[C@@H]1COCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 263374448 ZXOWTGCLTNXFSE-HUUCEWRRSA-N 319.357 1.506 0 40 DDAB CC1CCN(C(=O)c2ccc(NCc3ncn(C)n3)nc2)CC1 271085367 YUMMMWYKNNYAJH-UHFFFAOYSA-N 314.393 1.694 0 40 DDAB Cc1ccccc1[C@H]1CN(Cc2ccn(C)n2)[C@H](CO)[C@@H]1O 585294744 IXFOBLCZMNHBEY-BRWVUGGUSA-N 301.390 1.050 0 40 DDAB C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)N1CCOCC1 36752966 RFQPPMOLQNUDHC-CYBMUJFWSA-N 324.446 1.174 0 40 DDAB COc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1F 44448502 UNZLXLWLMNUCKA-UHFFFAOYSA-N 303.355 1.418 0 40 DDAB NC(=O)[C@H](NC(=O)CCOCC(F)(F)F)c1ccccc1 45308532 DVFHROYRASIYCC-LLVKDONJSA-N 304.268 1.298 0 40 DDAB C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1OC(F)(F)F 54371439 QOAQPJMPQRTJDN-SECBINFHSA-N 324.324 1.568 0 40 DDAB Cc1noc(C)c1CNC(=O)CNC(=O)c1cccc(Cl)c1 60065672 ZKOOSIMJJCZADQ-UHFFFAOYSA-N 321.764 1.991 0 40 DDAB O=C(NCc1ccc(N2CCCC2)nc1)Nc1nncs1 40525232 WQPNDPIEHWHICZ-UHFFFAOYSA-N 304.379 1.855 0 40 DDAB Cc1cc(CNS(=O)(=O)N2CCC[C@@H]2c2ccco2)on1 78880123 AEEQRMIAIFVLOM-GFCCVEGCSA-N 311.363 1.748 0 40 DDAB C[S@@](=O)c1nncn1CCCc1nc(-c2ccccc2)no1 75137304 DERQCFCATNYHDK-QFIPXVFZSA-N 317.374 1.698 0 40 DDAB O=S(=O)(c1ccccc1)N1CCCC[C@H]1Cn1ccnn1 95469253 YNQQPBOVJTVHRH-ZDUSSCGKSA-N 306.391 1.522 0 40 DDAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3nnc(C)n3C2)o1 97199460 HNQSLMMSKLDTSK-CYBMUJFWSA-N 312.377 1.983 0 40 DDAB CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12946665 IUOJFKAAURRBFT-GFCCVEGCSA-N 318.373 1.727 0 40 DDAB COc1cc(S(=O)(=O)NCCC(C)C)ccc1NC(C)=O 13058402 JPSBWQNCIKUVJG-UHFFFAOYSA-N 314.407 1.978 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)Nc2c[nH]c3ccccc3c2=O)C1 13565867 JPSPNHCTMUHBKB-SNVBAGLBSA-N 314.345 1.257 0 40 DDAB Cc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C2=O)cc1C 16899609 WIUBEPXPLVSVTL-VXGBXAGGSA-N 322.386 1.080 0 40 DDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1c3ccccc3C[C@H]1O)C2 165120937 DIGRAPIHZGZSEK-JLZZUVOBSA-N 311.385 1.598 0 40 DDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](CF)C3)cc21 1849179335 SSJSPPHFDCNEKZ-VIFPVBQESA-N 314.338 1.112 0 40 DDAB O=C(CSc1nc(O)cc(=O)[nH]1)c1c[nH]c2ccccc12 8931589 TZNQICICOBQVNI-UHFFFAOYSA-N 301.327 1.932 0 40 DDAB in-vitro CN(C)C(=O)CN(C)C(=O)CSc1nc2ccccc2[nH]1 5266642 LEUXQBCTLDMYFK-UHFFFAOYSA-N 306.391 1.202 0 40 DDAB CCCCn1nnnc1CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 6842612 KROJKAHCAIHARC-ABAIWWIYSA-N 320.397 1.474 0 40 DDAB COc1ccc(NC(=O)CNC(=O)Nc2ccccc2)cn1 11774135 XMDMJFBVCBPKBR-UHFFFAOYSA-N 300.318 1.850 0 40 DDAB Cc1cncnc1N1CCN(c2ncnc(C3CC3)c2F)CC1 1889078025 QATIKBKCBQJEAY-UHFFFAOYSA-N 314.368 1.918 0 40 DDAB Cc1csc(=O)n1CC(=O)NC[C@H](c1ccccc1)N(C)C 16599537 VTIWGFQPVZIURV-CQSZACIVSA-N 319.430 1.637 0 40 DDAB COc1cc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)on1 1565549777 CIIWGFAWQQRNNM-BZNIZROVSA-N 319.361 1.204 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)CC3(OC)CCC3)CC[C@@H]2C1 1565553119 LBUWPGSZFRPZOM-HUUCEWRRSA-N 310.438 1.515 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)c3cc(C4CC4)on3)CC[C@@H]2C1 1565552920 DHDSGAQLURBCRP-CJNGLKHVSA-N 319.405 1.735 0 40 DDAB Cc1nc(C(=O)N2CC[C@]3(C2)Cn2ccnc2CN3C)cs1 2055781457 HOBMLVIXBVSUOX-OAHLLOKOSA-N 317.418 1.378 0 40 DDAB O=c1ccc(C2CC2)nn1CC1CN(c2ncc(Cl)cn2)C1 585603331 OVRRFZPUHVYIIS-UHFFFAOYSA-N 317.780 1.701 0 40 DDAB O=C(NCCCn1ccnc1)NC[C@@H]1COc2ccccc2O1 40477782 IGUAUWUMPUFPDU-CYBMUJFWSA-N 316.361 1.412 0 40 DDAB O=C(c1cccs1)N1CCC(C(=O)N2CCOCC2)CC1 20612620 XNYDNMWZFSTWBG-UHFFFAOYSA-N 308.403 1.459 0 40 DDAB CCn1cc(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C)n1 20606862 VVHOCQWQVCFXRI-KGLIPLIRSA-N 305.378 1.837 0 40 DDAB C[C@@H](C(=O)O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 51639153 POTBCJXYSIEPHT-VIFPVBQESA-N 314.744 1.710 0 40 DDAB CCS(=O)(=O)NCCCNC(=O)NCc1ccc(C)s1 51683122 MGXPMBXIJXSUNH-UHFFFAOYSA-N 319.452 1.185 0 40 DDAB CCN(C(=O)CCCc1ccc(C)s1)[C@H]1CC(=O)NC1=O 101498815 HDXRMJQJQIXQFI-LBPRGKRZSA-N 308.403 1.643 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1cccs1 101750147 AZOAATLDBZVDST-VXGBXAGGSA-N 304.371 1.316 0 40 DDAB CN(CC(=O)Nc1ccccc1)CC(=O)Nc1nncs1 52639588 HWYQRGHYJYHKJG-UHFFFAOYSA-N 305.363 1.047 0 40 DDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1OC 32902501 IHXFZOFYAPNSEH-NSHDSACASA-N 322.405 1.871 0 40 DDAB CN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccc(F)cc1F 52827233 NJOLQVLTCFQICN-UHFFFAOYSA-N 319.315 1.567 0 40 DDAB COC(=O)N(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1C 41614657 HWPNHMXNHNFSPY-UHFFFAOYSA-N 314.363 1.035 0 40 DDAB C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)C(N)=O 53395977 VVHCFDQMEFHJSU-ZDUSSCGKSA-N 312.369 1.783 0 40 DDAB NCCCCCC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 103716593 MYBDPOHDPYQGSI-KBPBESRZSA-N 303.406 1.313 0 40 DDAB COC(=O)[C@@H](C)N1CCN(Cc2cc(OC)ccc2OC)CC1 54114782 KOIXTEVWJWXZIX-CYBMUJFWSA-N 322.405 1.383 0 40 DDAB COC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 982805 HPOMQIDEKUWGCR-UHFFFAOYSA-N 313.375 1.459 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3ccccn3)CC2)no1 23424532 SCKWMARUCVVQJB-UHFFFAOYSA-N 301.350 1.139 0 40 DDAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)Cn1ccnc1 42512840 PSNJULZFBLLRSG-GFCCVEGCSA-N 315.373 1.842 0 40 DDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC(C)=O 1022396 MJIOLKUWTSRUCN-CQSZACIVSA-N 318.329 1.803 0 40 DDAB CCc1ccccc1N1C(=O)C[C@H](SC[C@@H](N)C(=O)O)C1=O 257833 NDGHKFVGMXQVJA-PWSUYJOCSA-N 322.386 1.026 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)c1 371752 YJFRWKBHTHRBMP-XWUBHJNHSA-N 319.313 1.297 0 40 DDAB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CC[C@H](NC(N)=O)C1 95447670 GBKJMZBUPHIJEL-PWSUYJOCSA-N 308.357 1.204 0 40 DDAB COCc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788360 KESUBKYQXMVCNA-SJORKVTESA-N 318.417 1.504 0 40 DDAB O=C(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)NC1CC1 47658070 YZTWJDNCPZJXGT-UHFFFAOYSA-N 322.308 1.543 0 40 DDAB O=C(NCc1ccc(-n2ccnc2)nc1)NC[C@H]1CCCO1 79033036 QPMOQONCYKFCOL-CYBMUJFWSA-N 301.350 1.246 0 40 DDAB CCOC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC 1581101 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COC[C@H](O)CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76059675 ICBKLMQPHYBDHC-VHSXEESVSA-N 307.316 1.615 0 40 DDAB COCCCNC(=O)CN(C)c1ncnc2sc(C)c(C)c12 10044652 DLTRKRJLEWEPRA-UHFFFAOYSA-N 322.434 1.897 0 40 DDAB C[C@H]1C[C@@H](Sc2n[nH]c(=O)n2Cc2ccccc2)C(=O)O1 9793706 JNVFDLIHDHOGNE-GXSJLCMTSA-N 305.359 1.416 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)N2CCOc3ccccc32)CC1 44911118 HHSKFDXDMQQVON-UHFFFAOYSA-N 324.402 1.084 0 40 DDAB Cc1ccc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)o1 44911491 VPLTZLJZEFGKBY-KBPBESRZSA-N 308.378 1.055 0 40 DDAB Cc1nc(Cn2c(NC[C@@H](C)O)nc3ccccc32)n(C)n1 44944403 MDAMLJSNYOGESE-SNVBAGLBSA-N 300.366 1.314 0 40 DDAB CN1CCO[C@@H](CNC(=O)COCc2ccccc2Cl)C1 58312565 TVUBAUIPCGYIHJ-ZDUSSCGKSA-N 312.797 1.303 0 40 DDAB Cc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)c(=O)[nH]1 75120831 PRJLHMKCVYXNLV-UHFFFAOYSA-N 312.369 1.981 0 40 DDAB COc1cccc([C@H]2C=C(C(=O)O)Nc3nc(SC)nn32)c1 102334245 LCRHQRXCIPXKQP-LLVKDONJSA-N 318.358 1.992 0 40 DDAB CC1CCN(S(=O)(=O)NCCN2C[C@@H](C)C[C@H](C)C2)CC1 46035400 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CONC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 48346038 IPIGINOCNJXXRM-RXMQYKEDSA-N 307.169 1.307 0 40 DDAB CCCNC(=O)COC(=O)c1cc(Cl)c(N)cc1OC 3450305 YEJTVECUKCYQOH-UHFFFAOYSA-N 300.742 1.614 0 40 DDAB Cc1ccc(-n2nnnc2Sc2ncccc2C(N)=O)cc1 12924362 ZDHMFGOSKZFBKX-UHFFFAOYSA-N 312.358 1.616 0 40 DDAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(=O)[nH]n1 12904460 VTRXNLBDZOBSLS-UHFFFAOYSA-N 312.329 1.048 0 40 DDAB O=c1oc2ccccc2n1CN1CCN(c2nccs2)CC1 13000094 YWZKXYZXCJDFIV-UHFFFAOYSA-N 316.386 1.831 0 40 DDAB O=C1NCCN1C1CCN(Cc2nnsc2Cl)CC1 49332985 FBHIBKQJDSTBKH-UHFFFAOYSA-N 301.803 1.181 0 40 DDAB CCC(CC)NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 6050680 MVLIPBWMCJRDRH-AWEZNQCLSA-N 307.346 1.674 0 40 DDAB Cn1c(O)c(Cc2cccc(Cl)c2Cl)c(=O)n(C)c1=O 5120086 VSWLMJKMCUAMOM-UHFFFAOYSA-N 315.156 1.687 0 40 DDAB Cc1ncsc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 65538541 LIKDOZIYNYADLC-SNVBAGLBSA-N 305.407 1.911 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@H]2CCCC[C@@H]21 65553311 AXHWMOHDFZLWFH-XGUBFFRZSA-N 304.390 1.539 0 40 DDAB CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 4515984 JKADRNPAFRHSPA-CXAGYDPISA-N 321.421 1.746 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)C1CCCC1 75583634 UMFQFTYITUSDOC-LSDHHAIUSA-N 319.409 1.137 0 40 DDAB O=C(COC1CCCC1)N1CCCN(c2cccnn2)CC1 71860347 WDZAAIXKMKZSCD-UHFFFAOYSA-N 304.394 1.475 0 40 DDAB CNc1cc(N2CCC[C@@H]2CNc2ncnc3[nH]ccc23)ncn1 71859445 KIGQPCQWHIJAGQ-LLVKDONJSA-N 324.392 1.871 0 40 DDAB CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1Cn1nc(C)cc1C 71865449 PSHRNTXYZSECCX-HIFRSBDPSA-N 306.410 1.406 0 40 DDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCOc1cccc(F)c1 71908256 CDTDHGDWODOIHG-CJNGLKHVSA-N 324.396 1.820 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)CC2)cc1 68839212 HEDJPHVULGZCDR-GFCCVEGCSA-N 310.419 1.857 0 40 DDAB COc1ccc(Cl)cc1C(=O)N1CCO[C@@H](CC(=O)O)C1 91293021 LENSESUOCZCBCK-JTQLQIEISA-N 313.737 1.664 0 40 DDAB Cn1ccc(CNC(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 95986852 CYEJBEDROILYDF-CQSZACIVSA-N 307.394 1.900 0 40 DDAB CC(C)NS(=O)(=O)c1cccnc1N1CCC[C@@H](F)C1 408226873 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COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)ccc2O)C1=O 408547840 AFHFAYQJOIWOFG-WEVVVXLNSA-N 310.693 1.111 0 40 DDAB C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C[C@@H]1COCC(C)(C)O1 1550775793 ARRUYHRLVSQDEP-RBSFLKMASA-N 310.438 1.656 0 40 DDAB Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1 22074408 MRGAHUUIVNDLJL-UHFFFAOYSA-N 304.415 1.975 0 40 DDAB CCn1cnc2c(c1=O)CCN(Cc1nnc(C(C)C)s1)C2 528484727 JZKIXGHTNKIHKN-UHFFFAOYSA-N 319.434 1.796 0 40 DDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(N)CN)cc1 218048138 FSMVVSJHQLJGST-IKGGRYGDSA-N 316.426 1.591 0 40 DDAB Cc1nc(NCC2(CS(C)(=O)=O)CCC2)cc2nncn12 556863970 QXHKAZKLKNRKJB-UHFFFAOYSA-N 309.395 1.060 0 40 DDAB C[C@@H](C(=O)N1CCOCC1)N1C(=O)CCCc2ccccc21 33249617 ZZJKBQUOKBYMDE-ZDUSSCGKSA-N 302.374 1.603 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)n1cccn1 75563759 ZNVVPEBLLFOYHM-QWRGUYRKSA-N 319.390 1.530 0 40 DDAB O=C(CO)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72359081 OWKRBPPULURZET-GFCCVEGCSA-N 315.348 1.981 0 40 DDAB CNc1ncccc1CN1CCCC[C@H]1CCNC(=O)COC 72344648 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DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(c3ccnc(C)n3)CC2)C1 257297698 RINDGWPKMWIHQI-OAHLLOKOSA-N 318.421 1.781 0 40 DDAB Cc1cnn(C)c1S(=O)(=O)N1CCCCCC[C@@H]1C(=O)O 284929432 CHFONKYTEVZNGN-LLVKDONJSA-N 315.395 1.137 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)[C@@H]([C@@H](C)O)C1 390835824 ZDVGWASLEZCSND-JTNHKYCSSA-N 301.383 1.996 0 40 DDAB O=S1(=O)CC=C(NC(=S)Nc2ccc3ncccc3c2)C1 575425598 UCJSYXIMYZUTOG-UHFFFAOYSA-N 319.411 1.834 0 40 DDAB Cn1cc(-c2ncccc2CNC(=O)NC2CCOCC2)cn1 575608538 OISIFQUIXRXQAY-UHFFFAOYSA-N 315.377 1.460 0 40 DDAB Cc1c(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)oc2ccc(F)cc12 585267308 VEBLQLGXPOGFCL-YRGRVCCFSA-N 307.321 1.884 0 40 DDAB CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21 585109088 TVSCOJPPQGKVNY-JHJVBQTASA-N 312.385 1.267 0 40 DDAB Cc1nonc1CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585269363 QKYUVIHCMKZSOB-HOTGVXAUSA-N 315.373 1.515 0 40 DDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)Cc1ccnc(C)c1 585278586 UVKWJMNHLCPNFR-QGZVFWFLSA-N 319.405 1.076 0 40 DDAB Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc3[nH]cnc3c2)c1 69448510 BSRFSCOZQJPSKH-UHFFFAOYSA-N 323.356 1.977 0 40 DDAB Cc1nnccc1NC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 930816659 NPYAJHUNTGKJNX-CQSZACIVSA-N 311.345 1.490 0 40 DDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCCC(C)(C)C)[C@H]3CO[C@@H]2O3)c1 952844906 SAOQHYZQBUHABW-ARILJUKYSA-N 309.410 1.243 0 40 DDAB biogenic,in-vitro CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC[C@H]2CCCO2)C1 245343837 VXVABHFRRQBWKJ-MGPQQGTHSA-N 300.468 1.888 0 40 DDAB CCCN1CCC[C@@H]1C(=O)N1CCC(c2nncn2CC)CC1 75603069 IINUNCPRVGHIDO-OAHLLOKOSA-N 319.453 1.878 0 40 DDAB Cc1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)o1 79053703 JLNAXJJKWXHODA-MOEXGYKKSA-N 320.389 1.601 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(F)ccc1F 102697894 SUMRRERMDMNOHV-PHIMTYICSA-N 320.295 1.855 0 40 DDAB O=C(NCc1cc2n(n1)CCCO2)c1ccnn1CC(F)F 564319502 URDIMRASSBUNPW-UHFFFAOYSA-N 311.292 1.057 0 40 DDAB CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCOC 5415510 UXRSKXCUDUWFPV-KBPBESRZSA-N 313.442 1.605 0 40 DDAB biogenic,in-vitro O=C(NC(CO)(CO)CO)N(c1ccccc1)c1ccccc1 5774088 IEWWBDVRVUQJCN-UHFFFAOYSA-N 316.357 1.250 0 40 DDAB CC(=O)N[C@H](C)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 12791488 MCHINBSAZPVGNH-QMTHXVAHSA-N 304.346 1.074 0 40 DDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)C(C)C)ccc21 15327480 VGEBJAMLONHIOL-LLVKDONJSA-N 310.419 1.918 0 40 DDAB O=C(CN1CCSCC1)N1[C@H]2CC[C@@H]1c1snnc1C2 19014509 PHCPOWCNYVBSKY-GXSJLCMTSA-N 310.448 1.175 0 40 DDAB Cc1noc([C@@H]2CC[C@H](CNCc3c(C)nn(C)c3C)O2)n1 548345329 CGMQXMLAZTWVHV-OCCSQVGLSA-N 305.382 1.738 0 40 DDAB C[C@H](CNC(=O)COc1ccc(F)cc1F)N1CCOCC1 29964451 TWXPVVQWBQPXNJ-LLVKDONJSA-N 314.332 1.181 0 40 DDAB CC(C)(N)C(=O)N1CCC2(CC1)CO[C@H](Cc1cnccn1)C2 1848355701 HXMBAJVSSRLNCD-CQSZACIVSA-N 318.421 1.154 0 40 DDAB O=C(COC(=O)c1cc2c(s1)CCC2)NC[C@@H]1CCCO1 5308690 JGXXWBULXMAWLE-NSHDSACASA-N 309.387 1.689 0 40 DDAB O=C(NCc1nnc2ccccn12)c1ccc(-n2cncn2)cc1 8395122 AVTXJMFZGVJGSY-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)N3CCOCC3)C2)nc1 1889136046 NLSLWTMXGFIYFO-CQSZACIVSA-N 319.409 1.138 0 40 DDAB O=C([C@H]1CCCN1c1ncnc2ccsc12)N1CCOCC1 25570513 MYLOVRAMFDENPI-GFCCVEGCSA-N 318.402 1.519 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)N1CCCN([C@@H]2CCOC2)CC1 1565521997 HBZPDWCTKRKASD-JKSUJKDBSA-N 318.417 1.777 0 40 DDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CN1Cc1ccncc1 1565545516 HYPMQDYXPJSSOQ-KGLIPLIRSA-N 317.364 1.391 0 40 DDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)NC3CCC3)ncn2C1 2055714770 QNRJZUVHOCBSOU-NSHDSACASA-N 304.394 1.252 0 40 DDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@H]1CS2 575616533 OWSBPFWNCAWKLJ-JFGNBEQYSA-N 307.371 1.899 0 40 DDAB COC(=O)c1ccsc1NC(=O)[C@@H]1C(=O)NC[C@H]1C(C)(C)C 585149707 KCQWPOVILAKWFZ-ZJUUUORDSA-N 324.402 1.882 0 40 DDAB NC(=O)c1cscc1NC(=O)Cn1cnc2ccccc21 618257498 XYGWRJHSCDUPOK-UHFFFAOYSA-N 300.343 1.835 0 40 DDAB Cc1cccc(N2C(=O)N[C@]3(O)C(=O)c4ccccc4[C@@]23O)c1 39380637 ZOFGPHYRDFBESD-IRXDYDNUSA-N 310.309 1.255 0 40 DDAB O=C(NCc1ccnc(OC2CCCC2)c1)N1CCOCC1 31092258 MGNUGODNMCIKKF-UHFFFAOYSA-N 305.378 1.945 0 40 DDAB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1ccccc1 100646821 NEQHLTQAFZUKDB-OEOBOFROSA-N 315.325 1.366 0 40 DDAB Cc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)o1 31943201 XSYJUEZHTYXOLD-HNNXBMFYSA-N 310.419 1.526 0 40 DDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccccc1 102301066 ZBAXTOHYCMBZQU-HUUCEWRRSA-N 312.369 1.297 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Cn2cnnn2)C2CC2)o1 41894306 GJAZQHGRGGJPBW-MFKMUULPSA-N 301.350 1.581 0 40 DDAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(CCO)CC1 42287290 AADXXCSMXWTSGT-HOTGVXAUSA-N 319.449 1.171 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 42367346 IZJNMCZYZUUASD-QWHCGFSZSA-N 304.394 1.179 0 40 DDAB O=c1c2cccnc2ncn1C[C@H](O)COc1ccc(F)cc1 23400431 UCKNUKXWNMIODF-LBPRGKRZSA-N 315.304 1.371 0 40 DDAB COc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(O)c1 54628771 UBURFIMHXGOEMY-UHFFFAOYSA-N 324.340 1.912 0 40 DDAB O=c1c2ccccc2cnn1C[C@@H](O)COc1ccc(F)cc1 42756014 AQOHHFCFOVZNAK-CQSZACIVSA-N 314.316 1.976 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 105881994 NGZMQYXWABEENU-MELADBBJSA-N 314.451 1.307 0 40 DDAB CCOC(=O)C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 785517 JEUICIXUAMZFAH-OAHLLOKOSA-N 319.357 1.628 0 40 DDAB C[C@@H](CCn1cncn1)NC(=O)N1CCOC2(CCCC2)C1 95422009 NSVPQEGEDFAPJO-ZDUSSCGKSA-N 307.398 1.411 0 40 DDAB Cc1ccc(CC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 24778600 ZTXUIMKFKQMXDA-UHFFFAOYSA-N 310.419 1.031 0 40 DDAB COC1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 55208535 DFSMXVIAEKJTLR-UHFFFAOYSA-N 316.361 1.702 0 40 DDAB O=C1NC(=O)[C@H]([C@@H]2SC(=O)N(c3ccccc3)C2=O)S1 1472374 GKDDNAZFVLWENB-YUMQZZPRSA-N 308.340 1.607 0 40 DDAB COCCn1cc(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cn1 107155110 YSJHDJOMSBFLTH-SMDDNHRTSA-N 307.398 1.134 0 40 DDAB COCC(=O)N(C)c1nnc(-c2ccc(N(C)C)cc2)s1 4929799 UDLBEQKRJUZXDK-UHFFFAOYSA-N 306.391 1.880 0 40 DDAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 6958967 NJHVGMQBLXWFSW-XBXARRHUSA-N 307.262 1.222 0 40 DDAB CSc1nc2ccsc2c(=O)n1CC(=O)N1CCCC1 57504803 LIEFZANVHNOTHC-UHFFFAOYSA-N 309.416 1.802 0 40 DDAB O=C(CF)N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 27024955 KRIOODYNBALMTG-XPUUQOCRSA-N 307.580 1.537 0 40 DDAB COC(=O)[C@@H]1CCCCN1CC(=O)N1c2ccccc2C[C@@H]1C 27560610 FPDCFNULASQYFX-BBRMVZONSA-N 316.401 1.992 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)nn1 58163388 XMVLTNKKFLXKHV-UHFFFAOYSA-N 323.312 1.686 0 40 DDAB Cc1cc(NC(=O)NCCNC(=O)Cc2ccc(F)cc2)no1 58184527 XQZQNANRSIIIKR-UHFFFAOYSA-N 320.324 1.603 0 40 DDAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccncc1 44894765 DDZXDXUYTRRJHD-GFCCVEGCSA-N 310.357 1.612 0 40 DDAB COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cc1 10272186 XVTQWTJCZUBMQL-CYBMUJFWSA-N 317.370 1.441 0 40 DDAB COC(=O)c1cccc(C(=O)Nc2ccc(-n3cncn3)nc2)c1 44966123 XQZQNCHZHATEIM-UHFFFAOYSA-N 323.312 1.701 0 40 DDAB Cc1nn(C)c(N)c1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 101721647 IRAIWNFZRQXKJV-SECBINFHSA-N 320.299 1.636 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)NCCCN1C(=O)CCC1=O 95381568 LPSAHIFNOMVFHY-UHFFFAOYSA-N 313.357 1.745 0 40 DDAB CN1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 22236406 QRIJQFZPXVJNJS-UHFFFAOYSA-N 303.337 1.065 0 40 DDAB COc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)s2)c1 9341009 GVKZDULAFMJODB-UHFFFAOYSA-N 313.360 1.203 0 40 DDAB COc1ccc(-n2ccc(C(=O)NC3CCN(C)CC3)n2)cc1 58315998 KFOMDRBZZWNGRC-UHFFFAOYSA-N 314.389 1.705 0 40 DDAB O=C(CCCc1c[nH]c2ccccc12)NCCN1CCOCC1 20740770 GDBLCNDBZLXROY-UHFFFAOYSA-N 315.417 1.939 0 40 DDAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)CC1 26844287 SNJFXUHNEBHCFW-UHFFFAOYSA-N 318.826 1.675 0 40 DDAB COCCn1nc(C(=O)Nc2cccc(SC)c2)ccc1=O 29486668 BQZCJMQKRNYUJA-UHFFFAOYSA-N 319.386 1.864 0 40 DDAB COc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1OC 3219214 HUKWXOIBTQONOA-UHFFFAOYSA-N 307.346 1.919 0 40 DDAB Cc1cc(C)nc(SCC(=O)N[C@H](C)Cn2ccnc2)n1 47265024 LDDIJKTZFDWALT-GFCCVEGCSA-N 305.407 1.587 0 40 DDAB Cc1nc2oc3c(=O)n(CC(N)=O)cnc3c2c2c1CCCC2 12324791 WGHLPRKYBNFWES-UHFFFAOYSA-N 312.329 1.210 0 40 DDAB CCN1CC[C@]2(CCCN(S(=O)(=O)C3CC3)CC2)C1=O 108532225 LGTOPTJESLUACW-AWEZNQCLSA-N 300.424 1.203 0 40 DDAB O=C(CSC(F)(F)F)NCCc1nnc2ccccn12 48104713 IHTRPZGERIAEGI-UHFFFAOYSA-N 304.297 1.641 0 40 DDAB C[C@@H]1COCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 48275495 AVFUIGYTKNYJMQ-ZIAGYGMSSA-N 307.394 1.847 0 40 DDAB C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1C)C(=O)N(C)C 175682151 TYFUOFMKHGHXDO-OLZOCXBDSA-N 318.421 1.513 0 40 DDAB CC(=O)N1CCO[C@H]2CCN(C(=O)c3sccc3C)C[C@@H]21 108526916 UTQMJGJMRDTXJA-STQMWFEESA-N 308.403 1.518 0 40 DDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 3361533 NSIXGYQKNGLZGU-UHFFFAOYSA-N 324.296 1.159 0 40 DDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 3345816 RDMXXGURWSELBF-VXGBXAGGSA-N 307.394 1.356 0 40 DDAB COCCOCC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 48333818 JMBYJPMRILSZEY-LLVKDONJSA-N 306.362 1.412 0 40 DDAB C[C@@H]1CCc2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)csc2C1 12850658 RSAVOHZYHZLURD-NXEZZACHSA-N 313.444 1.790 0 40 DDAB C[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 95408903 NJQAKGILDAJCOP-SMDDNHRTSA-N 319.380 1.819 0 40 DDAB CCc1ccc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)o1 95984611 WLHAGCGBFAAXPX-GFCCVEGCSA-N 308.378 1.551 0 40 DDAB COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4127049 XQUCOWVOYICUFX-HACGYAERSA-N 316.357 1.652 0 40 DDAB CC(Nc1ccc(N(C)C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 5112118 XGCCSYDLDOYEAO-UHFFFAOYSA-N 316.361 1.489 0 40 DDAB CN(CC(=O)N[C@H](C(N)=O)c1ccccc1)Cc1ccccc1 65542888 ZIOOCMSFCVDZNR-KRWDZBQOSA-N 311.385 1.461 0 40 DDAB Cc1nc(SCC(=O)NC(N)=O)c2c(C)c(C)sc2n1 5428920 PLPFAYPVTAIEFE-UHFFFAOYSA-N 310.404 1.904 0 40 DDAB COCCOc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1 66152157 MYZDCZZQFOAZIW-ZDUSSCGKSA-N 307.346 1.649 0 40 DDAB C/C(=C\C(=O)N[C@]1(C)CCS(=O)(=O)C1)c1ccc(F)cc1 96256206 GDESUIYARLJVLI-SLZMIMFISA-N 311.378 1.922 0 40 DDAB Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1nnc(N)n1C 89689342 YAXZDKXSEXKGCJ-LLVKDONJSA-N 319.434 1.845 0 40 DDAB CN(C)CCNC(=O)c1sccc1NC(=O)c1cnccn1 67335658 PIWXCTOIOHKZLO-UHFFFAOYSA-N 319.390 1.082 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1CC(=O)N1CCNC1=O 96467083 QMQJQGIVDWQZKK-LBPRGKRZSA-N 302.378 1.273 0 40 DDAB COC(=O)c1ccc(NC(=O)CSc2cnnc(O)n2)cc1 15831110 VKLMFTOAJMDOKL-UHFFFAOYSA-N 320.330 1.095 0 40 DDAB CCNC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 68251855 FGGDBBPHYFQWGL-UHFFFAOYSA-N 321.396 1.977 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71865845 UKWSVVOFNWWJJK-HZPDHXFCSA-N 318.421 1.584 0 40 DDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NC(C)C)c1C 8058230 NKRHQGBAMCIZQR-UHFFFAOYSA-N 312.435 1.723 0 40 DDAB CCNS(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1 8163585 RSRGQBSRQULWFZ-UHFFFAOYSA-N 305.359 1.632 0 40 DDAB CCc1nnc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)s1 81601869 AKTGRUYXHXIRFG-SECBINFHSA-N 310.301 1.632 0 40 DDAB Cc1ccn2cc(C(=O)N3CCC(C4OCCO4)CC3)nc2c1 69292817 KYFXCOGPORQNLZ-UHFFFAOYSA-N 315.373 1.868 0 40 DDAB CCc1cc(CNC(=O)CCNC(=O)Cc2ccccc2)[nH]n1 83820306 OTGACZGCXBSALW-UHFFFAOYSA-N 314.389 1.337 0 40 DDAB O=C(NC[C@H](O)COCC1CC1)[C@@H]1C[C@@H]1c1ccccc1F 81862953 DDFVBOCAONBLMF-NWANDNLSSA-N 307.365 1.833 0 40 DDAB Cn1nnnc1S[C@H]1CCN(c2ccc(Cl)cc2)C1=O 71916017 KXUNUUQNSKRJRL-JTQLQIEISA-N 309.782 1.761 0 40 DDAB OC[C@H](CNC[C@H]1CNc2ccnn2C1)Cc1ccccc1 69490004 DQISXWOEADLYJB-HOTGVXAUSA-N 300.406 1.366 0 40 DDAB Cc1csc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1 89705652 OMJXKVOZUWRASQ-UHFFFAOYSA-N 324.369 1.790 0 40 DDAB CCNc1ccc(Cl)cc1C(=O)NC[C@H]1CN(C)CCO1 91679818 LFETWKVBDHHYLR-LBPRGKRZSA-N 311.813 1.832 0 40 DDAB COC(=O)[C@@](C)(NC(=O)[C@@H](C)OC)c1cc(F)ccc1F 69702670 VTZPWWNGMKKRDX-CLAHSXSESA-N 301.289 1.504 0 40 DDAB O=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCOC2=O)CC1 69701661 PLXKKYIUKSJNHS-CQSZACIVSA-N 306.337 1.792 0 40 DDAB CCNC(=O)N1CCN(S(=O)(=O)c2cccc(C)c2)CC1 8704461 WELFDTORMQYILS-UHFFFAOYSA-N 311.407 1.031 0 40 DDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)Cn3cccn3)C2)c1 71185875 RUXCDTBKMIKVPJ-HUUCEWRRSA-N 301.394 1.888 0 40 DDAB COc1cc2c(cc1CN[C@@H]1CCCCNC1=O)O[C@@H](C)C2 85876845 DPIPYWPGHOPPGS-SMDDNHRTSA-N 304.390 1.777 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(OCC)c2)C1 97051553 YEIXKANZTWAUIU-OAHLLOKOSA-N 312.435 1.599 0 40 DDAB O=C(CCc1ccccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268937 YQYDADMVZMNLIX-IRXDYDNUSA-N 320.408 1.816 0 40 DDAB O=C(NOCCO)Nc1cccc(C(=O)c2ccccc2)c1 97164706 NJKQVFDLSUAKDQ-UHFFFAOYSA-N 300.314 1.963 0 40 DDAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CNCCO2)cc1 72343423 UMIBHYIMOQRABR-HNNXBMFYSA-N 314.389 1.879 0 40 DDAB CC(C)Cc1noc(CN2CCc3ncnc(N(C)C)c3C2)n1 65473847 MAHRFGACZYTQMI-UHFFFAOYSA-N 316.409 1.682 0 40 DDAB Cc1cccc(CNCc2c(C)nn(C)c2N2CCOCC2)n1 65575388 RUGRLFZNQUVWRV-UHFFFAOYSA-N 315.421 1.558 0 40 DDAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408588146 CQOFUEXWQCEELZ-MNOVXSKESA-N 314.407 1.277 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 529761432 CJXILJPLDAQIDP-KGLIPLIRSA-N 316.357 1.920 0 40 DDAB COc1ccc2c(C)c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c1 5956833 LLEKBVVXGVUUND-SECBINFHSA-N 319.313 1.242 0 40 DDAB biogenic Cc1cc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c(C)[nH]1 32898770 QHDBJGUSOCBFMM-UHFFFAOYSA-N 305.334 1.261 0 40 DDAB COc1ccc(NC(=O)[C@@H]2CSCCC(=O)N2)cc1Cl 75171343 IZLJQQCAFHUCSZ-JTQLQIEISA-N 314.794 1.909 0 40 DDAB Cn1cc(CCc2nc(CNC(=O)c3ccccc3)no2)cn1 78773911 OHLINMPYHLXABK-UHFFFAOYSA-N 311.345 1.518 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCSCC2)C1 78926181 CAMIBFQLWXUYHM-NSHDSACASA-N 315.439 1.754 0 40 DDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3cscn3)C2)ncn1 72388320 DMFFKZSKZIDRHA-LBPRGKRZSA-N 318.402 1.573 0 40 DDAB N[C@@H](C(=O)Nc1cn(Cc2ccccc2)nn1)C1CCOCC1 563096850 MEIYCBDSCUCNAB-OAHLLOKOSA-N 315.377 1.019 0 40 DDAB COCCNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217546538 QSDLDKZGHFSDCT-UHFFFAOYSA-N 316.379 1.130 0 40 DDAB C[C@H]1CN(C(=O)N=c2nc3ccccn3[nH]2)CC2(CCC2)O1 570512787 QTSROPPMBOWWGQ-NSHDSACASA-N 301.350 1.327 0 40 DDAB CS(=O)(=O)[C@H](CO)C(=O)c1ccc(Br)cc1 96518743 KHGFEPBIRRITMV-SECBINFHSA-N 307.165 1.037 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)c2n[nH]c3c2CCC3)n1 95476179 IQWIFMJLDPBQTB-UHFFFAOYSA-N 320.374 1.713 0 40 DDAB Cn1cc(CN2CCO[C@H]3[C@H](Cn4cccn4)CC[C@@H]32)cn1 96250259 GXTZYCXCSUIGCM-JYJNAYRXSA-N 301.394 1.296 0 40 DDAB Cc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)o1 96055012 XTVKHFCIKKYRDV-GDBMZVCRSA-N 314.389 1.716 0 40 DDAB C[C@@H](c1ccsc1)N1CCN(C(=O)Cc2cnn(C)c2)CC1 97378513 LGPBUWXKOJAEAG-ZDUSSCGKSA-N 318.446 1.930 0 40 DDAB COc1ccccc1CNCC(C)(C)N1CCS(=O)CC1 96447835 GWFYITKTBAWGDE-UHFFFAOYSA-N 310.463 1.628 0 40 DDAB O=C(c1ccccn1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96050844 PCTMBKRDTTWOFL-QGZVFWFLSA-N 323.356 1.141 0 40 DDAB CCOCc1nc2c(o1)CN(S(=O)(=O)c1ccccc1)C2 96086727 YCYOFJYDBCIOLZ-UHFFFAOYSA-N 308.359 1.916 0 40 DDAB O=C(O)c1ccn(-c2ccccc2NC(=O)[C@H]2CCOC2)n1 238232197 CWDOOBMTJLEIFX-JTQLQIEISA-N 301.302 1.546 0 40 DDAB O=C1CCCN1[C@@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1 96207749 MPQQIGGBFKQMKR-SJLPKXTDSA-N 315.417 1.828 0 40 DDAB COc1ccc(CNC(=O)c2cc(C)ncn2)cc1C(=O)O 538473996 MHXCZRGBQKEJNB-UHFFFAOYSA-N 301.302 1.422 0 40 DDAB O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccccc1 96099019 MKTNSKINFMCXBT-UHFFFAOYSA-N 319.308 1.880 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)CNC(=O)C3)cc1 91394343 ZNZCZTFHISDCAS-UHFFFAOYSA-N 308.403 1.286 0 40 DDAB O=C(N[C@H](c1ccc(Cl)cc1)c1ncon1)[C@H]1CCOC1 95445540 HEPMQYJUWFPBEX-CMPLNLGQSA-N 307.737 1.965 0 40 DDAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccco4)C[C@@H]23)n1 96057244 MUWGWMLZRCCBLC-NFAWXSAZSA-N 303.362 1.908 0 40 DDAB CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1cccnc1 96428266 FNHSAODMFQLIHU-UHFFFAOYSA-N 316.386 1.789 0 40 DDAB CN(CCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)C1CC1 96467162 MBFANLYDDRMJBO-GJZGRUSLSA-N 321.421 1.971 0 40 DDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1noc2c1CCCC2 247839062 NESKVTVBGDKCGV-TXFQPVFDSA-N 318.373 1.871 0 40 DDAB O=C(CC1CCOCC1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257343704 ZUCLGMPTOKFGJU-IIAWOOMASA-N 307.394 1.271 0 40 DDAB COc1cccc(CC(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)c1 257306766 SVUHTIHWWGWMDI-HNNXBMFYSA-N 315.373 1.869 0 40 DDAB O=C1OC2(CCOCC2)CN1c1cnc([C@@H]2CCCN2)cn1 257216988 CWZYNABLRJVQGP-NSHDSACASA-N 304.350 1.407 0 40 DDAB Nc1nccnc1[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 257326443 WXFVMGITFJRWBH-CYBMUJFWSA-N 316.336 1.341 0 40 DDAB CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 257260801 LEKZUMNFEXQLLH-BDXSIMOUSA-N 318.417 1.558 0 40 DDAB Cc1noc(CNC(=O)c2cccnc2O[C@@H]2CCSC2)n1 252492743 MUVSIOBGGFBGPG-SNVBAGLBSA-N 320.374 1.587 0 40 DDAB CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCC[C@@H](O)[C@@H]1O 257337059 YRFFDXFGJDRLLW-BRWVUGGUSA-N 314.385 1.971 0 40 DDAB CO[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@@]12CCCO2 257253213 JXZGYUMBZRGOOZ-HOCLYGCPSA-N 307.394 1.366 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)NC3CCOCC3)cn2)n1 257220568 DLGAFGUZSFLZAY-UHFFFAOYSA-N 300.362 1.793 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1 257313663 UTOHQUNZQZRXET-WBVHZDCISA-N 316.401 1.845 0 40 DDAB Cn1nc(CC(=O)N2CC[C@](C)(C(=O)O)C2)c2ccccc21 263255217 UBAXVQKZAJSPMZ-INIZCTEOSA-N 301.346 1.439 0 40 DDAB C[C@@H](C(=O)Nc1ncn(CC(=O)O)n1)c1ccc(Cl)s1 647782314 GDZFEHDFSMYAKH-ZCFIWIBFSA-N 314.754 1.820 0 40 DDAB C[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CC1 585140599 HRHPCPQLFPCSGV-HZSPNIEDSA-N 304.394 1.065 0 40 DDAB CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2Cl)CC1 37181276 RGWJVIYDCSFRLS-LBPRGKRZSA-N 323.824 1.622 0 40 DDAB CNC(=O)c1ccc(CNC(=O)Cc2c(C)noc2C)cc1 45151677 DMOSAXYXCYULNA-UHFFFAOYSA-N 301.346 1.510 0 40 DDAB COC(=O)[C@H](C)CN(CCC(=O)N(C)C)Cc1ccccc1 60333760 CYLPNGLTRZGDOC-CQSZACIVSA-N 306.406 1.776 0 40 DDAB O=C1CC[C@@H](NC(=O)c2ccc(Br)cc2O)CN1 78521510 HIOZPBFSKRCFQF-MRVPVSSYSA-N 313.151 1.163 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccnc2)cc1 40476288 KCIDPGHZENVPLC-UHFFFAOYSA-N 320.374 1.192 0 40 DDAB COCCN1CCC(NC(=O)c2cnc3ccccc3n2)CC1 85468016 XLJPYPAWDWSVLE-UHFFFAOYSA-N 314.389 1.470 0 40 DDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccccc1 3282548 OEBUBYXMVZJCMG-ZSOIEALJSA-N 305.355 1.849 0 40 DDAB COc1cc(OC)c(C2=CCN([C@@H](C)C(N)=O)CC2)c(OC)c1 11061550 PCDDJGQZGJOTBY-NSHDSACASA-N 320.389 1.675 0 40 DDAB CCc1nn(CC(=O)N(C)OC)c(=O)c2cc3oc(C)cc3n12 12115558 FDRIJPGNMFXGJE-UHFFFAOYSA-N 318.333 1.133 0 40 DDAB C[C@H](C(=O)N1CCCC1)n1nc(-c2cccs2)cc(N)c1=O 12181247 QUUJZJSPGWORPD-SNVBAGLBSA-N 318.402 1.737 0 40 DDAB COc1ccc2c(=O)c(NC(=O)NC[C@H]3CCCO3)c[nH]c2c1 13566010 NUPWIFVIFSVNSL-LLVKDONJSA-N 317.345 1.837 0 40 DDAB O=C(c1c(O)cccc1F)N1CCN(c2ccncc2)CC1 163659982 KSQHDMNUAJSNTC-UHFFFAOYSA-N 301.321 1.889 0 40 DDAB CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ccnc(C2CC2)n1 548811562 RTPQUNWXSMEIJX-AWEZNQCLSA-N 316.405 1.731 0 40 DDAB COCc1cn([C@H]2CCN(C(=O)c3cc(C)cs3)C2)nn1 585149700 RANJCIYPUIVAEU-LBPRGKRZSA-N 306.391 1.882 0 40 DDAB O=S1(=O)CCC(CN2CC(Cn3cc(Cl)cn3)C2)CC1 1889065067 BBMIVYSZKOFQRF-UHFFFAOYSA-N 317.842 1.293 0 40 DDAB Cc1cnccc1OCC1CCN(c2nccn(C)c2=O)CC1 1889085236 MCYPAFMFZFFEFT-UHFFFAOYSA-N 314.389 1.779 0 40 DDAB CCc1nc(C)c(C(C)=O)c(SCC(=O)NC(=O)NC)n1 24990178 GFYWCDQKJWVOQN-UHFFFAOYSA-N 310.379 1.098 0 40 DDAB Cc1cccc(C)c1OC[C@@H](O)CN(C)CC(=O)NC(C)C 25234973 MQNIWAIJPWAYSR-HNNXBMFYSA-N 308.422 1.500 0 40 DDAB O=C(O)CCc1ccc(S(=O)(=O)Nc2nccs2)cc1 21061183 YDVLNBHZKJUAFZ-UHFFFAOYSA-N 312.372 1.961 0 40 DDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1nccnc1N 21418201 VBHFYJRBNNBGTE-UHFFFAOYSA-N 322.372 1.576 0 40 DDAB O=c1cc(Cn2ccnc2)nc2ccc(Br)cn12 10809487 RICHSQMNYKEXDQ-UHFFFAOYSA-N 305.135 1.702 0 40 DDAB O=S(=O)(CCOc1ccccc1)N1CCn2nccc2C1 238901182 RMTORGNTNCPVGI-UHFFFAOYSA-N 307.375 1.108 0 40 DDAB CCCn1ncc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1C 2037984033 NWEHFTFWZKVJCO-HOTGVXAUSA-N 320.437 1.281 0 40 DDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 1565542241 LCKNFIIQKSWENF-NNXHMXCWSA-N 313.401 1.149 0 40 DDAB CC(C)N(C(=O)CSc1nncc(=O)[nH]1)c1ccccc1 12348519 KYOUVXXDVHIMPY-UHFFFAOYSA-N 304.375 1.699 0 40 DDAB CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377517 JHDZPJDJVWEPKT-FOGDFJRCSA-N 320.242 1.636 0 40 DDAB CCn1nnc2c(SCC(=O)Nc3ccccc3)ncnc21 13532064 DOTRWFSQBKTITL-UHFFFAOYSA-N 314.374 1.972 0 40 DDAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1cccnc1 206817032 GUCRWGDOADUPAW-SNVBAGLBSA-N 310.404 1.095 0 40 DDAB Cn1cc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)cn1 225716286 TZDBGNDPAJNFFE-GFCCVEGCSA-N 304.375 1.952 0 40 DDAB O=S(=O)(NCc1cn(-c2cccnc2)nn1)c1cccs1 575619544 VUGNFQLHRZONJJ-UHFFFAOYSA-N 321.387 1.202 0 40 DDAB O=c1cc(C2CC2)ncn1CC1CCN([C@@H]2CC[C@H]2O)CC1 585630300 UAEQVUCJNIEJFR-HZPDHXFCSA-N 303.406 1.356 0 40 DDAB O=C(Nc1ccncc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 51189840 QMTUXQWKQOZPTN-ZDUSSCGKSA-N 318.377 1.184 0 40 DDAB Cc1occc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 40541093 AVIIJBXZYKWTKH-UHFFFAOYSA-N 314.389 1.665 0 40 DDAB COc1ccc(NC(=O)c2nn(C)cc2C(=O)O)c(OC)c1 20614564 HCUMYJYVQCHYHE-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB C[C@H](NC(=O)CSc1nc(N)cc(N)n1)c1ccccc1 377120 BWOHLPYAODEJQX-VIFPVBQESA-N 303.391 1.611 0 40 DDAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccoc1 53020063 IFFLLUVDZPUBNA-UHFFFAOYSA-N 308.359 1.264 0 40 DDAB COc1cc([C@H](C)NC(=O)Cn2cnnn2)ccc1OC(C)C 41867813 DQUXRFPZUOHAFB-NSHDSACASA-N 319.365 1.346 0 40 DDAB Cn1cc(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)cn1 42729227 QMWJXZPIEPJCBG-UHFFFAOYSA-N 307.737 1.775 0 40 DDAB NC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1 42817108 AFEZAKOAUBQGCL-ZDUSSCGKSA-N 308.345 1.270 0 40 DDAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1O 551956 XYNPMJBJGUPPMU-AWEZNQCLSA-N 320.345 1.980 0 40 DDAB NC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 43095409 QTVJDILZFHHWIP-STQMWFEESA-N 320.393 1.076 0 40 DDAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1 78881141 BAMYRLRIBHCSJW-ZDUSSCGKSA-N 303.366 1.635 0 40 DDAB Cc1cccc(N2CCN([C@H]3CC(=O)N(C)C3=O)CC2)c1C 24528957 SBPUOYLUSQGMKA-HNNXBMFYSA-N 301.390 1.183 0 40 DDAB O=C(CN1CCN(Cc2cccc(O)c2)CC1)NCC1CC1 78969154 KRYXPLKIHKTLOS-UHFFFAOYSA-N 303.406 1.036 0 40 DDAB C[C@@H]1CN(C)CC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1 106578461 SQHVNISFMONEJO-MCIONIFRSA-N 319.405 1.341 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cnn1C 25001424 JOOQAYJBECKEJK-LLVKDONJSA-N 310.361 1.800 0 40 DDAB Cc1ccccc1CN1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 106918651 OVCAPQVPRJVZPO-YOEHRIQHSA-N 301.390 1.805 0 40 DDAB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2OC(=S)O[C@H]12 4990487 WQXKACVWXQXVKD-KYTCRMMBSA-N 324.354 1.541 0 40 DDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H](C)S(C)(=O)=O 107360910 SSVDKYFLZYNOOB-JSGCOSHPSA-N 324.446 1.677 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 56838563 WXIACWUGRNEVQX-CQSZACIVSA-N 305.353 1.720 0 40 DDAB O=C1CCC2(CCN(C(=O)[C@@H]3CCOC3)CC2)CN1CC1CC1 108532611 BJOOYXXFHQGRHB-OAHLLOKOSA-N 320.433 1.664 0 40 DDAB CCOc1ccccc1CSc1nnc(NN)c(=O)n1C 28536557 SJUTZHREJRDJDN-UHFFFAOYSA-N 307.379 1.152 0 40 DDAB Cc1noc(C)c1CCC(=O)N(C)Cc1nnc2n1CCC2 44934887 SEDIRMFPKCRRDC-UHFFFAOYSA-N 303.366 1.420 0 40 DDAB O=C(NCCc1ccc(-n2cccn2)cc1)NC[C@@H]1CCCO1 44945681 AXCQBKOHVUHADM-INIZCTEOSA-N 314.389 1.893 0 40 DDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 44976611 QKAKEMYBJCNRRF-QMMMGPOBSA-N 315.285 1.471 0 40 DDAB COC[C@H](C)NC(=O)c1nnn(-c2cccc(OC)c2)c1C 44918083 WPDHHIBDHOHSOT-JTQLQIEISA-N 304.350 1.349 0 40 DDAB CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 44935116 NHPWREGNJISFBJ-KBPBESRZSA-N 310.394 1.503 0 40 DDAB CCc1nnsc1C(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 44915442 IZDLIIADIINYQK-MXWKQRLJSA-N 312.439 1.328 0 40 DDAB O=C1[C@H]2OC[C@@H](O2)[C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@H]12 105421464 CLDOBSIZFBVYSI-BHFLUCBHSA-N 302.370 1.958 0 40 DDAB biogenic,in-vitro CN1C(=O)C2(CCN(Cc3nccn3C)CC2)c2ccccc21 104998175 PVBWHXVWFFDBIV-UHFFFAOYSA-N 310.401 1.930 0 40 DDAB C[C@@H](C1CC1)N(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58380663 PNLMYDLNDSTZHI-JTQLQIEISA-N 321.402 1.608 0 40 DDAB COc1ccc2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)[nH]c2c1 58404101 YEVOGQNMVMKWHI-HNNXBMFYSA-N 322.386 1.484 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CCCN(c2cnccn2)C1 45262578 PTUUAMNQBWUMAI-CQSZACIVSA-N 305.426 1.151 0 40 DDAB CCn1cc(C(=O)NCCCNS(C)(=O)=O)c2ccccc21 46355829 LAYSNDGEQWGFAU-UHFFFAOYSA-N 323.418 1.330 0 40 DDAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 100819532 WYHMLJNHFVVVQG-IOQCUFBNSA-N 301.273 1.109 0 40 DDAB COc1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)ccn1 29829923 MPPGIIBJZPDAQT-UHFFFAOYSA-N 310.313 1.257 0 40 DDAB CCOC(=O)C1=C(CN[C@H](C)c2cccc(F)c2)NC(=O)NC1 57996439 PQUURYVIYMZEGB-SNVBAGLBSA-N 321.352 1.606 0 40 DDAB O=C(NCCNc1ncccn1)N1CCc2sccc2C1 47057254 UQLCVAOBXSCGDO-UHFFFAOYSA-N 303.391 1.718 0 40 DDAB CN(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100549042 AMIHHHFIWGMKSA-FQUUOJAGSA-N 302.330 1.345 0 40 DDAB O=C1CCC(=O)N1Cc1nc(-c2ccc(O)cc2O)cs1 48279756 JLAJGMRGWWOUKE-UHFFFAOYSA-N 304.327 1.870 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CC[C@@H]1NC(=O)NC1=O 12786120 IDICHRAHVDFJOZ-QMMMGPOBSA-N 311.725 1.275 0 40 DDAB CN1CCCN(C(=O)c2cnccn2)c2nc3ccccc3nc21 3334044 PRLQJGVNRINLDP-UHFFFAOYSA-N 320.356 1.907 0 40 DDAB CN1CCN(Cc2cccc(C(=O)Nc3cnn(C)c3)c2)CC1 174598470 ORHIFMYCGZYUFZ-UHFFFAOYSA-N 313.405 1.420 0 40 DDAB NC(=O)c1cccc(NC(=O)c2cnc3ccccn3c2=O)c1 12890047 WKJHQRRLLMOAJP-UHFFFAOYSA-N 308.297 1.046 0 40 DDAB CS(=O)(=O)/N=C(\O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 48486847 SPWJLQBWERQQBU-GFCCVEGCSA-N 322.386 1.444 0 40 DDAB CN(C(=O)COC(=O)c1ccc(N2CCOC2=O)cc1)C1CC1 63968514 GXFJHAOIWXWULT-UHFFFAOYSA-N 318.329 1.421 0 40 DDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1cccnc1 9266421 GTDGKKQIUSFHHB-UHFFFAOYSA-N 323.349 1.528 0 40 DDAB O=C(CN1CCn2ccnc2C1)N[C@@H]1CCOc2ccccc21 97201402 KTQRBGMPFDPNRL-CQSZACIVSA-N 312.373 1.339 0 40 DDAB O=c1c2cnc3ncnn3c2ccn1Nc1ccc(Cl)cc1 9290493 OQHXFCAPHGCIQV-UHFFFAOYSA-N 312.720 1.968 0 40 DDAB O=C(CN1CC[C@@H](CNc2ccccn2)C1)Nc1nncs1 65462377 OTWQDAGPIUVWOB-NSHDSACASA-N 318.406 1.306 0 40 DDAB O=C(NC[C@H]1CCOC1)Nc1cc(C(F)(F)F)c[nH]c1=O 65476225 WTDKHPWWGOSRNC-SSDOTTSWSA-N 305.256 1.552 0 40 DDAB O=C1CCC(C(=O)NC[C@H](c2cccs2)N2CCCC2)=NN1 65476179 IUBHBWQGDUAYIV-GFCCVEGCSA-N 320.418 1.267 0 40 DDAB O=C(CCCc1nnc2ccccn12)N=c1[nH]c2ccccc2[nH]1 72402658 JBIHDSQLIFCMCN-UHFFFAOYSA-N 320.356 1.989 0 40 DDAB CC(C)c1nnc2n1C[C@@H](NC(=O)CCc1cnn(C)c1)CC2 65512238 LIHURVJSSUZRAC-ZDUSSCGKSA-N 316.409 1.199 0 40 DDAB O=C(Cc1ccc(F)c(F)c1)N[C@]1(C(=O)O)CCSC1 95046833 AKCQRNJZEPJYAZ-CYBMUJFWSA-N 301.314 1.584 0 40 DDAB Cc1ccc(C(=O)N[C@@H](C(=O)O[C@H]2CCOC2=O)C(C)C)cc1 14249971 BXSMMRVTJDTQLB-UONOGXRCSA-N 319.357 1.608 0 40 DDAB CC(=O)c1ccc(N2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 14786070 GRBZGNIJRMFJSG-UHFFFAOYSA-N 324.384 1.950 0 40 DDAB Cc1c(CNC(=O)C(=O)Nc2cccc3ncccc23)cnn1C 9304999 CKSANCNJBVCEKZ-UHFFFAOYSA-N 323.356 1.532 0 40 DDAB CC(C)[C@@H](Sc1nncn1-c1ccccc1)C(=O)NC(N)=O 5621881 LKTCUXGZTMVFAK-LLVKDONJSA-N 319.390 1.579 0 40 DDAB Nc1nc(CN2CCOCC2)nc(Nc2ccc(F)cc2)n1 14914659 HBMIKDLKIKZVCH-UHFFFAOYSA-N 304.329 1.169 0 40 DDAB CCN1CCO[C@H](C(=O)NCc2cccc(CN(C)C)c2)C1 72859654 UNZFVKGIMXUMQU-INIZCTEOSA-N 305.422 1.085 0 40 DDAB C[C@H](C(=O)Nc1cnc(C(C)(C)C)nc1)N1CCN(C)CC1 95389690 VJMAZZJNVJOKPB-GFCCVEGCSA-N 305.426 1.349 0 40 DDAB CC[C@H](C)CS(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 95399832 LXWQEPTYLPBENX-UONOGXRCSA-N 320.499 1.387 0 40 DDAB CCN1CCC[C@@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 67592379 AYWHPEJKPRSULN-GFCCVEGCSA-N 309.435 1.598 0 40 DDAB CCCn1nnnc1COC(=O)c1ccc2c(c1)nnn2CC 7290572 WMPMOHBMPQWAIM-UHFFFAOYSA-N 315.337 1.205 0 40 DDAB Cc1ccc(N2CCC[C@@H](Sc3nnnn3C)C2=O)cc1 96424809 OBINPDNTYNANPA-GFCCVEGCSA-N 303.391 1.806 0 40 DDAB CCN(CC)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842786 OKQHZCKPDDJSIB-NSHDSACASA-N 324.402 1.481 0 40 DDAB CCCCn1nc(C)c(C(=O)N2CCNC(=O)CC2)c1Cl 71839601 MEWQCLYRPRTNTO-UHFFFAOYSA-N 312.801 1.607 0 40 DDAB CCn1nc(C)cc1C(=O)NCC[S@](=O)c1ccccc1 71896486 NQNZAVAYULARRX-OAQYLSRUSA-N 305.403 1.749 0 40 DDAB O=C1C[C@@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CN1C1CC1 71865197 BGNCMIJSOGEVGN-HIFRSBDPSA-N 316.405 1.275 0 40 DDAB C[C@H](CN(C)c1ccccc1)NS(=O)(=O)C[C@@H]1CCOC1 71890266 IFURWBDOOOOMHK-ZIAGYGMSSA-N 312.435 1.467 0 40 DDAB Cc1nc2ccccc2nc1CN1CCO[C@H](CN(C)C)C1 70016123 MBEPDHFFTMRFTE-CQSZACIVSA-N 300.406 1.701 0 40 DDAB O=C(Cc1ccccc1F)N1CCN(C(=O)C2CCC2)CC1 69399396 HPEXLFCGVBJBDN-UHFFFAOYSA-N 304.365 1.839 0 40 DDAB CCN(C[C@H]1CN(C[C@@H]2CCOC2)CCO1)c1cccnn1 84774598 IILWUZRZHVVKFD-LSDHHAIUSA-N 306.410 1.040 0 40 DDAB CC(=O)N[C@H](C)C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69536568 WJELWIFYUVXOHN-SSDOTTSWSA-N 308.288 1.818 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@H]2Cn2cncn2)n1 69601162 PVVGRUKDDYLQSA-NSHDSACASA-N 306.395 1.146 0 40 DDAB CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(O)CC1 69738182 MWBFZZJIRCXRTC-UHFFFAOYSA-N 310.325 1.146 0 40 DDAB COCCN1CCN(Cc2c(C)nn(C)c2Cl)C[C@H]1C 69740211 ZNKSFBQCBUCKST-LLVKDONJSA-N 300.834 1.534 0 40 DDAB Cc1ccc(C(=O)N2CCCN(Cc3nccn3C)CC2)o1 69878491 PEYDKJDIBDROOK-UHFFFAOYSA-N 302.378 1.670 0 40 DDAB Cc1nc2n(n1)C[C@H](NC[C@@H](O)c1ccc(F)cc1F)CC2 69952183 AVQWUGKAFZMDBC-BXUZGUMPSA-N 308.332 1.503 0 40 DDAB C[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 95408904 NJQAKGILDAJCOP-BXUZGUMPSA-N 319.380 1.819 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)NCc3cccnc3)C2)n[nH]1 84111025 JGTAGFWRGZNLDY-HNNXBMFYSA-N 313.405 1.609 0 40 DDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCCC1 408683481 MWSPBEAJLFQLDB-NZBPQXDJSA-N 304.390 1.420 0 40 DDAB Cc1nc(C[C@H]2CCCN(c3cnnc(O)c3Cl)C2)no1 97047812 LGXQNCPVEJATRV-SECBINFHSA-N 309.757 1.986 0 40 DDAB CN(CC(=O)Nc1c(Cl)cccc1Cl)S(N)(=O)=O 74037689 ASMMNDIGOCJKQR-UHFFFAOYSA-N 312.178 1.067 0 40 DDAB CC(C)C(=O)NCCN(C)C(=O)c1ccc(-n2cncn2)cc1 95982040 YJIFAFQWHWOYCQ-UHFFFAOYSA-N 315.377 1.112 0 40 DDAB CC(C)[C@H](C(=O)N(C)[C@H](C)C1(C)CC1)N1CCCS1(=O)=O 95982211 NAKJVLJYZCCYQW-CHWSQXEVSA-N 316.467 1.694 0 40 DDAB O=C1CN(C(=O)NCc2ccc(-c3cccnc3)cc2)CCN1 74915248 FHLCLMQXAJNKIP-UHFFFAOYSA-N 310.357 1.390 0 40 DDAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 75122370 DPPQJKWJQVEGII-NSHDSACASA-N 302.334 1.395 0 40 DDAB O=C(NCCn1cccc1)N1CCC([C@@H](O)C(F)(F)F)CC1 89878806 LPWXUFCXWNFXLV-GFCCVEGCSA-N 319.327 1.833 0 40 DDAB CCN(Cc1ccccc1)S(=O)(=O)N1CCN(C2CC2)CC1 89969284 CTYMNNWXAULHEK-UHFFFAOYSA-N 323.462 1.533 0 40 DDAB CCC[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnn[nH]1 89949631 MRJOUZKKMAVCGQ-NSHDSACASA-N 312.337 1.052 0 40 DDAB COC(=O)CN(C(=O)Cc1ccccc1C)C1CCOCC1 76068238 TVLLDSRDZSNQKB-UHFFFAOYSA-N 305.374 1.718 0 40 DDAB O=C(OCc1cnn(-c2ccccc2)n1)[C@@H]1CCc2cn[nH]c2C1 76090280 VTKOCXIGNGPTSZ-GFCCVEGCSA-N 323.356 1.839 0 40 DDAB C[C@H]1C[C@H](C(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CCO1 1548597050 FYCQJGMAVIADBG-CMPLNLGQSA-N 322.361 1.894 0 40 DDAB O=C(N[C@H]1C(=O)NN[C@@H]1c1ccccc1)c1ccc(Cl)cc1 409066018 GPMIKPWBYGIRKC-ZIAGYGMSSA-N 315.760 1.814 0 40 DDAB CCNC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1 43466420 JYUPVIJEDHFXPT-UHFFFAOYSA-N 307.394 1.551 0 40 DDAB Cc1c(C(=O)O)nnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208485 SHQZUNGEKWWFJT-SNVBAGLBSA-N 310.354 1.857 0 40 DDAB CCn1c(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)nc2ccccc21 72324832 UQLRBKNISHGGBT-RBSFLKMASA-N 314.433 1.696 0 40 DDAB COCC(=O)N1CCC(c2cccc(-n3ccnc3C)n2)CC1 72378915 BSOCFRDBRCRJFP-UHFFFAOYSA-N 314.389 1.928 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2ncc(Cl)cc2F)CC1 528118053 MHXLREOPUZGEAJ-UHFFFAOYSA-N 319.789 1.488 0 40 DDAB O=C(N[C@H]1CCCN(c2ccccn2)C1)c1ccc2[nH]nnc2c1 131256474 ROGSMROXTJKTAM-ZDUSSCGKSA-N 322.372 1.752 0 40 DDAB CS(=O)(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 43962393 HEBDJSKJUGPMDH-UHFFFAOYSA-N 314.382 1.227 0 40 DDAB Cn1[nH]c([C@H]2CCCN2C(=O)c2c[nH]c3nccc-3c2)nc1=N 570689532 VXBKXAYOPDWUJZ-LLVKDONJSA-N 311.349 1.033 0 40 DDAB O=c1cc(C2CCC2)ncn1Cc1nnnn1-c1ccccc1 89704514 LTODCQCZVYCTKC-UHFFFAOYSA-N 308.345 1.535 0 40 DDAB O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)[C@H]1CCCN1 225485140 FUSMRPLAWYFSDH-CYBMUJFWSA-N 316.361 1.355 0 40 DDAB COc1ccc(CCCN(C)[C@@H]2CCS(=O)(=O)C2)cc1F 195572788 GUPROFKIFVZTKE-CYBMUJFWSA-N 315.410 1.886 0 40 DDAB Fc1cnc(N2CCN(c3ncnc4sccc34)CC2)nc1 269482612 MBSWMYWICSNLKD-UHFFFAOYSA-N 316.365 1.947 0 40 DDAB O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc[nH]1 96423846 UMTPIEDIMLKWGP-CYBMUJFWSA-N 313.357 1.424 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)c1ccoc1C)CC2 96228051 SITYMWNIIRQAQJ-UHFFFAOYSA-N 320.389 1.832 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)Cc1cccc(O)c1 96439636 NAQVKFKPUHSWKO-UHFFFAOYSA-N 304.268 1.072 0 40 DDAB COCCN1CCC2(CC1)C[C@H](COC)N(c1ncccn1)C2 96240405 DHBOSBMSWFWXIG-OAHLLOKOSA-N 320.437 1.430 0 40 DDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1cccnc1)CCC2 96059567 CCNDZWWTNPGAMK-UHFFFAOYSA-N 313.405 1.106 0 40 DDAB CCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344234 QFQZBBHUBIVBBP-SNVBAGLBSA-N 318.352 1.971 0 40 DDAB Cc1ccc(N2C[C@H]3CCC[C@@H](CN4CCOCC4)[C@H]3C2)nn1 96249009 YJTPTWJPNZOAAP-GVDBMIGSSA-N 316.449 1.970 0 40 DDAB Cc1ccc(N2CCc3ncnc(N4CCCC4)c3CC2)nn1 96255447 QKHHRXOVBBFDBW-UHFFFAOYSA-N 310.405 1.780 0 40 DDAB COCCN1CCC[C@]12CCCN(C(=O)c1ccccn1)C2 96203233 JGZHJRJPHSUMCZ-KRWDZBQOSA-N 303.406 1.799 0 40 DDAB COc1cc(N2Cc3ccnn3C[C@H](OCC3CC3)C2)ncn1 247873570 FYRGXWPSUUVERG-CQSZACIVSA-N 315.377 1.497 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCOC[C@H]2c2[nH]ncc2C)n1 257322217 WFBCPMCPRLSFSV-ZDUSSCGKSA-N 303.366 1.132 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2nccn2C)C1 257302940 SFBHWSPLPRQGOX-GFCCVEGCSA-N 314.393 1.347 0 40 DDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1C 257217636 CZWIOHULZQIQIE-LBPRGKRZSA-N 323.422 1.503 0 40 DDAB COc1ccccc1CC(=O)N1CC[C@](O)(CN2CCCC2)C1 257288133 PSZIRTFLYJLRRX-SFHVURJKSA-N 318.417 1.297 0 40 DDAB Cc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn2ccnc2n1 257282573 OUIKZISBKAZMRX-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB NCC(=O)N1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 257253857 KANSJDZTRDBAKM-ILXRZTDVSA-N 319.380 1.485 0 40 DDAB COC[C@@]1(C)CN(C(=O)Nc2cc3cc[nH]c3cn2)CCO1 626601613 OCAVDTJRYQOZRC-OAHLLOKOSA-N 304.350 1.832 0 40 DDAB O=C(COc1ccc(-n2cccn2)nn1)Nc1nccs1 90607732 DZMZNESBSDRZKF-UHFFFAOYSA-N 302.319 1.136 0 40 DDAB O=C(CCn1ccnc1)NC1CCN(CC(F)(F)F)CC1 299669195 OZIMKJHURIZTCQ-UHFFFAOYSA-N 304.316 1.416 0 40 DDAB COCC(=O)N1CC2(C[C@H](OCc3cncc(C)c3)CCO2)C1 575406213 YFFSDIRKZFFOIF-OAHLLOKOSA-N 320.389 1.313 0 40 DDAB CC[C@H](Sc1ccccc1)C(=O)NCCn1cnccc1=O 585141774 XYCBGQOGCPNAGD-AWEZNQCLSA-N 317.414 1.930 0 40 DDAB Cc1ccc(=O)n(CC2CCN(c3ncc(Cl)cn3)CC2)n1 585503849 ZTPGVLKNLDOWEQ-UHFFFAOYSA-N 319.796 1.912 0 40 DDAB O[C@H](CNCCn1cccn1)CO[C@H]1CCCc2ccccc21 72254033 LILPTWXYJDHBLD-AEFFLSMTSA-N 315.417 1.928 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(N)=O 78904154 MXWDBCKFVOUYIL-WDEREUQCSA-N 300.355 1.066 0 40 DDAB CCC(C)(C)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 78948165 DIJFNRGAASSLBC-UHFFFAOYSA-N 309.410 1.936 0 40 DDAB CCc1nn(CC(=O)NCC2CC2)c(=O)c2cc3occc3n12 12115464 ZARBKCNIOCBESO-UHFFFAOYSA-N 314.345 1.331 0 40 DDAB COCCc1ncc(CN2CCN(C3CCCC3)C(=O)C2)cn1 19658650 XXZHXEHNFXDSNK-UHFFFAOYSA-N 318.421 1.252 0 40 DDAB Cc1ncc(C(=O)N2CC[C@H](C(=O)NC3CCCC3)C2)c(C)n1 19747768 SSCVLGBDHKSYLZ-ZDUSSCGKSA-N 316.405 1.614 0 40 DDAB CCC(CC)(CNC(=O)N1CC[C@H](C)[C@@H](C(=O)O)C1)OC 520576677 OZHCBDUKZZBWAN-RYUDHWBXSA-N 300.399 1.944 0 40 DDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)NC[C@H]1CCCO1)CS2 14034889 XBDUGNLSKJGVLN-NWDGAFQWSA-N 323.418 1.192 0 40 DDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)NC(C)(C)C 14314290 XVVPYMRUWJFAQS-IINYFYTJSA-N 306.362 1.246 0 40 DDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccnc1)C2=O 5262140 MSJYKPPNGKNWDW-BDJLRTHQSA-N 316.361 1.521 0 40 DDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCCC2)c(C)c1 7038835 MFHDIMNNPMUYEL-UHFFFAOYSA-N 324.446 1.903 0 40 DDAB CCOc1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1C 51644204 RHFUYCBSWWPSQI-ZDUSSCGKSA-N 307.350 1.112 0 40 DDAB CS(=O)(=O)N1CCC(NCc2ccc(F)cc2Cl)CC1 36828596 IADQWNWXDMISSJ-UHFFFAOYSA-N 320.817 1.993 0 40 DDAB CC(C)OCc1nn(C)c2c1CN(S(=O)(=O)C1CC1)CC2 2056220033 ROGFISJRANHCEB-UHFFFAOYSA-N 313.423 1.195 0 40 DDAB Cc1nc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)sc1C 2087129916 VZBCLWLLZKOFRR-NSHDSACASA-N 315.464 1.811 0 40 DDAB CC1CC(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)C1 1565542986 SPLNYOYOZFSZDR-MOKVOYLWSA-N 314.393 1.179 0 40 DDAB O=C(NCCOCCN1C(=O)CCC1=O)Nc1cccs1 1565520057 ZRYCDDDNWITBEM-UHFFFAOYSA-N 311.363 1.035 0 40 DDAB CNC(=O)CCCCCN(C)S(=O)(=O)c1ccc(C)cc1 17043655 ACPYTTBXIUZDFQ-UHFFFAOYSA-N 312.435 1.922 0 40 DDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)c1ccccc1 8725630 RDWVJTNHHWOXBA-UHFFFAOYSA-N 309.347 1.412 0 40 DDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC3CCCC3)n2)no1 40267907 BVGNJTDNFPEONN-UHFFFAOYSA-N 319.321 1.220 0 40 DDAB COCCCn1c(S)nc2cc(C(=O)OC)ccc2c1=O 100447687 OXVFKRGPVCYGLG-UHFFFAOYSA-N 308.359 1.508 0 40 DDAB COc1ccc(C2(C(=O)N[C@@H]3CCCNC3=O)CCCC2)cc1 50634160 QUAUSTSHRSEJND-OAHLLOKOSA-N 316.401 1.902 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)Cn1ccc(C(F)(F)F)n1 40541217 CNXCUDJDNVMBSA-SNVBAGLBSA-N 305.300 1.787 0 40 DDAB CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCO3)cn2)CC1 40541118 ILCNOPGGUCNYTD-OAHLLOKOSA-N 318.421 1.019 0 40 DDAB Cc1cc(CN2CCN(C[C@H](O)c3cccc(F)c3)CC2)no1 51254570 WBROSJFVEPIBDP-KRWDZBQOSA-N 319.380 1.973 0 40 DDAB CC[C@H](C)N(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@H](C)CC 20607117 DZFZTNKMSKXPFR-TXEJJXNPSA-N 319.409 1.556 0 40 DDAB O=C(CN1CCC(O)CC1)Nc1ccc2c(c1)OC(F)(F)O2 32664880 HVZREUIZMJDKOI-UHFFFAOYSA-N 314.288 1.403 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)cc1 41247394 XIESJVVNFWTOFS-LBPRGKRZSA-N 310.419 1.538 0 40 DDAB CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 52960611 UIABCIRQNFAYJG-CQSZACIVSA-N 311.403 1.793 0 40 DDAB CCOC(=O)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 103248871 ODIYRIJZPRHYRT-RWMBFGLXSA-N 311.451 1.824 0 40 DDAB Cn1ccnc1CN(C(=O)CNC(=O)c1ccccc1)C1CC1 54039096 FAXFFNAQZZXEMU-UHFFFAOYSA-N 312.373 1.341 0 40 DDAB NC(=O)[C@H](Nc1ncnc2c1oc1ccccc12)[C@@H]1CCOC1 95452102 DZUAQUFSODOUEM-BXKDBHETSA-N 312.329 1.678 0 40 DDAB CCOc1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1OCC 78841677 DDHJTRMLRKKLEQ-ZDUSSCGKSA-N 320.389 1.835 0 40 DDAB CN[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 2124420 IIPOBWRHQBMIQU-HUUCEWRRSA-N 306.406 1.521 0 40 DDAB biogenic CC(C)[C@H](C(=O)NCc1cccnc1)N1C[C@@H](C)O[C@H](C)C1 106153729 QMNAMPFHFZDVBY-IIAWOOMASA-N 305.422 1.832 0 40 DDAB CCc1nc(NCCO)c2nnn(Cc3ccc(F)cc3)c2n1 4985424 YPGRSCDOFZNLNI-UHFFFAOYSA-N 316.340 1.375 0 40 DDAB CCOC(=O)COn1c(C)c(C(C)=O)c2c3nonc3ccc21 6658387 ZYSWAWJMCXGDPF-UHFFFAOYSA-N 317.301 1.680 0 40 DDAB COc1ccc(-c2c(=O)n(O)c3ccccc3[n+]2[O-])cc1OC 1410153 LGBZCZVYVNODTC-UHFFFAOYSA-N 314.297 1.556 0 40 DDAB COC(=O)c1n[nH]c2ccc(NC(=O)C[C@@H]3CCCO3)cc12 56639888 ITFGMJAJQBQCDS-JTQLQIEISA-N 303.318 1.857 0 40 DDAB Cc1nc([C@H]2CCCN2C[C@@H](O)COCc2ccco2)no1 107495441 GHUMMAFGSUXYKB-TZMCWYRMSA-N 307.350 1.686 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108526296 QSRHEXYAOJPRMO-HJWJTTGWSA-N 315.417 1.539 0 40 DDAB COC(=O)N1CC[C@H](N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 108101979 XJWXFQZDYYRPTQ-XIRDDKMYSA-N 317.433 1.937 0 40 DDAB COc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cn1 44895104 NTQSLVZGVLOUKM-UHFFFAOYSA-N 313.361 1.839 0 40 DDAB Cc1ncsc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 44939416 KWPWGWDXAGDFLU-ZDUSSCGKSA-N 309.435 1.778 0 40 DDAB Cc1ccc2c(c1)[C@@H](NC(=O)CSc1nnnn1C)[C@H](C)C2 97079969 JLJKGNHRUYIKCC-YGRLFVJLSA-N 317.418 1.660 0 40 DDAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 27394208 UWKVMORWLAOGLH-HUUCEWRRSA-N 302.374 1.330 0 40 DDAB O=C(Nc1ccccn1)c1cccc(N2CCCS2(=O)=O)c1 10431033 MHIPXCCVQOIHCH-UHFFFAOYSA-N 317.370 1.874 0 40 DDAB CCc1noc(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)n1 58433859 BWJHNVWUHIOEAG-MRXNPFEDSA-N 314.345 1.908 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)no1 72231943 GWQJTKMMXDYHOY-GFCCVEGCSA-N 304.350 1.932 0 40 DDAB Cc1ncc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 72274055 ULQSIHJPHNHPHM-NEPJUHHUSA-N 310.423 1.114 0 40 DDAB Cc1csc([C@H]2CCCCN2C(=O)CN2CCCNC2=O)n1 72273814 QGFHEQOYJOSPTK-GFCCVEGCSA-N 322.434 1.920 0 40 DDAB O=C(c1cccc2c1OCO2)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269169 ZOXVRQMBQDICBJ-KBPBESRZSA-N 318.373 1.087 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCN(C3CCCC3)CC2)on1 45768776 HNSMRYFGLIIHJN-ZDUSSCGKSA-N 306.410 1.870 0 40 DDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cn1 3216474 PZKVRVQBGFKBSF-UHFFFAOYSA-N 307.256 1.859 0 40 DDAB Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1 3278978 OHUWHUWAHCTAOX-UHFFFAOYSA-N 320.399 1.924 0 40 DDAB CCCc1noc(CN2C(=O)c3ccccc3S2(=O)=O)n1 29465486 OQAYVTOJFWEFDM-UHFFFAOYSA-N 307.331 1.367 0 40 DDAB CN(C)c1cccc2c(S(=O)(=O)N(C)CC(=O)O)cccc12 2545088 BRLJKBOXIVONAG-UHFFFAOYSA-N 322.386 1.611 0 40 DDAB in-vitro CCS(=O)(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 29504976 PVBLWEYYZWNXOA-CYBMUJFWSA-N 312.391 1.357 0 40 DDAB O[C@@H]1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C1 24052825 IFOYUAMILKISOS-CYBMUJFWSA-N 318.425 1.033 0 40 DDAB O=C(NCCCN1CCCC1=O)c1cc(=O)c2ccccc2o1 3228011 ZFTWTLCJCRHZQN-UHFFFAOYSA-N 314.341 1.535 0 40 DDAB O=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)C1CC1 47471171 HINFPDNAINXBRI-UHFFFAOYSA-N 314.385 1.634 0 40 DDAB CCOc1cccc(CNC(=O)CCN2C(=O)CCC2=O)c1 48376514 RQFIEIAZBJKBJJ-UHFFFAOYSA-N 304.346 1.241 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1CCCC2 12864139 NCEHNASOTWBGTE-HNNXBMFYSA-N 322.430 1.928 0 40 DDAB C[C@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1 3447051 NUFUSNWXMUQUJN-JTQLQIEISA-N 318.329 1.131 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)NC3=NCCS3)CC2=O)cc1F 12918793 HDUSIGZELVTCRS-JTQLQIEISA-N 321.377 1.706 0 40 DDAB CC(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 3618092 TZHNNCXHCOHHIN-UHFFFAOYSA-N 322.324 1.633 0 40 DDAB Nc1ncnc2c1ncn2CCCOC(=O)C1CCCCC1 63544646 CVTZUGGHYDBYCG-UHFFFAOYSA-N 303.366 1.922 0 40 DDAB COCCCN(C)C(=O)Nc1cccc(S(C)(=O)=O)c1 49358312 LTFWDZDHJMKVGL-UHFFFAOYSA-N 300.380 1.590 0 40 DDAB CCN1C[C@@H](C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)CC1=O 65404188 DRTICBSIOHHIAX-JTQLQIEISA-N 322.409 1.587 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccccc2CN2C(=O)CNC2=O)C1 14064252 HHNNTLJDDPRHSY-LBPRGKRZSA-N 315.373 1.611 0 40 DDAB O=C(NCCO)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 9340443 LHFCHTAOEFHKTR-UHFFFAOYSA-N 323.352 1.882 0 40 DDAB Cc1ccn2cc(CNS(=O)(=O)N(C)[C@H](C)C3CC3)nc2c1 66912647 LRGCBPBPXBYNNY-GFCCVEGCSA-N 322.434 1.707 0 40 DDAB NC(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 15498026 VUYKDJNVGPYEIE-UHFFFAOYSA-N 322.324 1.203 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)nc2)CC1 96426665 GYTZONHDNIGEBY-JQWIXIFHSA-N 307.781 1.675 0 40 DDAB O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCCO1 68143049 VLEXAMYRCVXFLZ-CABCVRRESA-N 303.358 1.900 0 40 DDAB COc1ccccc1N1CCN(c2ncnc3[nH]cnc23)CC1 15924532 KWLXRQFZEOGTIH-UHFFFAOYSA-N 310.361 1.688 0 40 DDAB COC(=O)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 7952950 JGFDEHAODQBBLB-UHFFFAOYSA-N 316.313 1.112 0 40 DDAB CNC(=O)NC(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 8120598 NJGBVCJXRUSVDS-JTQLQIEISA-N 313.785 1.495 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)c1 70013828 PUYUIHWZBMJKOI-CQSZACIVSA-N 324.388 1.778 0 40 DDAB CC[C@@H](NC(=O)NCC(=O)NCC(C)C)c1nc(C)cs1 71856667 DMSRWUBOSVUEGD-LLVKDONJSA-N 312.439 1.974 0 40 DDAB COc1cccc(CO[C@H](C)C(=O)N2CCCn3ncnc32)c1 71839400 JFIDMKBHDIQVEO-GFCCVEGCSA-N 316.361 1.629 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H](C)n1cnc3ccccc31)C2 69585890 ZZNMZPGMCWLLGI-GFCCVEGCSA-N 324.388 1.794 0 40 DDAB COCCNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 17321643 PAPGRYMRFRHCLH-UHFFFAOYSA-N 301.346 1.434 0 40 DDAB Cc1nn(C)cc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91757992 CTPULFODLVKORM-ABAIWWIYSA-N 321.327 1.955 0 40 DDAB CCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 82313145 MGOHNULJIWNHPG-SNVBAGLBSA-N 324.377 1.956 0 40 DDAB Cc1nc([C@@H](NC(=O)Cn2cccn2)c2ccccc2F)no1 71908007 JZOWRDARNOXLST-AWEZNQCLSA-N 315.308 1.619 0 40 DDAB CCOc1ccc(OCC)c(NC(=O)NC[C@@H]2CCC(=O)N2)c1 71911727 DEHVUGKJIQXWLC-NSHDSACASA-N 321.377 1.884 0 40 DDAB O=C(CC1CCCCC1)NCCNC(=O)N1CCSCC1 69808919 XXCJHQWTLVKKHW-UHFFFAOYSA-N 313.467 1.831 0 40 DDAB CCN(CC)CC1CCN(S(=O)(=O)N2CCCC2)CC1 71924099 GIGQCRJYEIKHDC-UHFFFAOYSA-N 303.472 1.381 0 40 DDAB Cc1ncsc1CCN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 72300774 CNVWTFMSRSVORZ-XHDPSFHLSA-N 322.434 1.304 0 40 DDAB NC(=O)CN(CCC1CCCCC1)c1ncnc2[nH]ncc12 95429755 XCTWSHWMAKEQQU-UHFFFAOYSA-N 302.382 1.615 0 40 DDAB Cc1n[nH]c2cc(NC(=O)c3c[nH]c4c(cnn4C)c3=O)ccc12 97237543 SETCERAJJQZQEI-UHFFFAOYSA-N 322.328 1.699 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@H]2CC=CC[C@H]2C1 74220038 HBEHBBVRSRDKES-RWMBFGLXSA-N 300.424 1.417 0 40 DDAB O=C(NCCc1cccnc1)N1CCC(O)(C(F)(F)F)CC1 95985110 KLRZCLNYQYFZSM-UHFFFAOYSA-N 317.311 1.723 0 40 DDAB CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCCCC2)C1 89310058 TYBLLULWMJSBTN-CQSZACIVSA-N 305.426 1.490 0 40 DDAB Cc1cc(CC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)n[nH]1 89599109 KHHAARXBNYAIRU-AWEZNQCLSA-N 320.437 1.410 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccoc3)n[nH]2)c(=O)[nH]1 75111094 XXTFZKZEPNLFBL-UHFFFAOYSA-N 312.329 1.905 0 40 DDAB C[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)c(Cl)c1 89904660 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DDAB C[C@]1(c2[nH]ncc2C(N)=O)CCCN(C(=O)c2cscn2)C1 72388813 GETQLOPEQRUTGO-AWEZNQCLSA-N 319.390 1.159 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 181565314 NURZBINRSYYXMT-LLVKDONJSA-N 320.817 1.993 0 40 DDAB N[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218568963 ICNAIGMPSMZXNG-OWCLPIDISA-N 321.373 1.455 0 40 DDAB O=C(NC[C@H]1CCCO1)c1cc(Sc2ncccn2)ccn1 72243489 AAXQJFZRILFILL-LLVKDONJSA-N 316.386 1.932 0 40 DDAB Cn1c(=O)n(C)c2cc(CNCCOc3ccccn3)ccc21 35287296 GJPRVQOPPMJIBN-UHFFFAOYSA-N 312.373 1.441 0 40 DDAB CN(C)C(=O)CN1CCCN(Cc2ccncc2Cl)CC1 75623800 FWGYRJGYFVMXGA-UHFFFAOYSA-N 310.829 1.331 0 40 DDAB O=S(=O)(NCCc1ncc2ccccn12)c1ccccc1 31773150 NRWVAKILTYVWRP-UHFFFAOYSA-N 301.371 1.855 0 40 DDAB O=C1c2ccccc2C(=O)N1CC[C@H]1N=C2C=CC=CN2[C@@H]1O 70503680 YDWFFOGAZHMTKE-CXAGYDPISA-N 309.325 1.157 0 40 DDAB CCCc1noc(CN2CCNC(=O)[C@H]2c2cccs2)n1 72800515 PZIFRCMVDJQGIY-CYBMUJFWSA-N 306.391 1.757 0 40 DDAB O=S(=O)(Nc1cccc(-n2cccn2)c1)[C@H]1CCCC[C@@H]1O 75604212 KJFDWZUTSBMGJO-GJZGRUSLSA-N 321.402 1.918 0 40 DDAB COc1cc(C)n(CCNC(=O)c2cc(C3CC3)on2)c(=O)c1 225615020 BOUBQYASTARSLT-UHFFFAOYSA-N 317.345 1.461 0 40 DDAB C[C@@H]1O[C@H](C)[C@@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)[C@@H]1C 529975099 IDJIKMBWVJTCAW-RSQPEXBXSA-N 317.389 1.972 0 40 DDAB CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 42646742 RIMMBDHCGLRCCW-AWEZNQCLSA-N 306.362 1.708 0 40 DDAB COc1ccc(NC(=O)NCC(=O)N2CCCC2)c(OC)c1 43330757 UIXSCDQQCWJZTA-UHFFFAOYSA-N 307.350 1.448 0 40 DDAB NC(=O)C1CCN(C(=O)NCCCOc2ccc(F)cc2)CC1 63800555 FUWKBSHRLHMKMX-UHFFFAOYSA-N 323.368 1.502 0 40 DDAB CC(C)CCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225518466 PSAQIZAUZUVIMS-UHFFFAOYSA-N 320.440 1.457 0 40 DDAB CCc1c(NC(=O)C(=O)Nc2ccnn2C)cnn1CC(C)C 95442890 JXVGHKURTIHFMN-UHFFFAOYSA-N 318.381 1.412 0 40 DDAB CCS(=O)(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 96456142 NBULFUHXOLOOMS-NSHDSACASA-N 302.783 1.385 0 40 DDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 96408584 GHWHNMJRFDFNOL-OAHLLOKOSA-N 318.398 1.604 0 40 DDAB C[C@@H]1CN(C2CCOCC2)C[C@]12CCN(c1cccnc1)C2=O 96201760 KFMAHKHQBMDTCD-RDTXWAMCSA-N 315.417 1.935 0 40 DDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(N)=O 96427953 GHVROHZCZAXIFR-CYBMUJFWSA-N 312.435 1.772 0 40 DDAB C[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1nc2ccccc2o1 96446666 VUPOGJACUJUZFC-JTQLQIEISA-N 320.374 1.643 0 40 DDAB CN(C)Cc1cnc2n1CCN(C(=O)c1ccsc1)CC2 96196792 SRGHBKQOZYNSBX-UHFFFAOYSA-N 304.419 1.705 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(CCO)CC1 95483313 FHDXXIIWXOAHKI-UHFFFAOYSA-N 301.390 1.269 0 40 DDAB CCCS(=O)(=O)N1CCC[C@]2(CCN(CC3CC3)C2=O)C1 96224205 NIRZSRYPVWNIFR-HNNXBMFYSA-N 314.451 1.451 0 40 DDAB C[C@@H]1C[C@@H](Nc2nccn3cnnc23)C(=O)N1c1ccccc1 95404369 GXWHJDXTVSUXNJ-DGCLKSJQSA-N 308.345 1.730 0 40 DDAB Cc1occc1C(=O)N1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 96245235 XQRPXXDPTUHONT-FZMZJTMJSA-N 314.345 1.057 0 40 DDAB O=C(c1cnccn1)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 96064781 LLLOHGIJSNKDPF-KBMXLJTQSA-N 317.389 1.665 0 40 DDAB C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1 249208763 SEIRROIKJQDMQY-RISCZKNCSA-N 321.808 1.974 0 40 DDAB C[C@]1(C(N)=O)CN(Cc2cccc(Br)c2)CCO1 257257865 KRKGINAZVYPPAJ-CYBMUJFWSA-N 313.195 1.525 0 40 DDAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)ccn1 257269165 MOVQCFTXDWYZOI-CQSZACIVSA-N 313.405 1.901 0 40 DDAB CCCS(=O)(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1 257328431 XFPLVCZZDAOLAZ-OAHLLOKOSA-N 310.419 1.632 0 40 DDAB NCC(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257247441 IZAOJIROCOHAJD-ILXRZTDVSA-N 301.390 1.346 0 40 DDAB Cc1cc2cnc(C)n2c([C@@H]2CCCCN2S(C)(=O)=O)n1 257245014 INTSIVCSJRNGHW-ZDUSSCGKSA-N 308.407 1.833 0 40 DDAB CC(=O)N1CCO[C@@](C)(C(=O)NCc2cccc(Cl)c2)C1 257318285 VNFYUYKNQBZFIY-OAHLLOKOSA-N 310.781 1.594 0 40 DDAB O=C(CCn1ccnc1)NCc1cnc([C@@H]2CCCCO2)nc1 257335599 YLADXSYJWFIZOI-AWEZNQCLSA-N 315.377 1.621 0 40 DDAB CO[C@@H]1C[C@@H](CC(=O)O)N(C(=O)c2cnn(C(C)(C)C)c2)C1 263098261 QXGLDOUPEMWIOH-NWDGAFQWSA-N 309.366 1.342 0 40 DDAB CN1CCN(C(=O)c2ccc(NCc3nccn3C)cc2)CC1 283461280 RTIVYBOBQRXWGX-UHFFFAOYSA-N 313.405 1.420 0 40 DDAB O=C(NCCc1ccccc1)C(=O)NCC[C@@H](O)c1ccoc1 90613193 LULNILHMDBLHRD-OAHLLOKOSA-N 316.357 1.178 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)C(=O)CCCc2ccc(C)cc2)[C@@H]1O 585285200 AJTSRBTVHBBFAT-NUJGCVRESA-N 321.417 1.551 0 40 DDAB Cn1cncc1CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 585269091 JXPBYQSQRRLCBF-KRWDZBQOSA-N 319.380 1.965 0 40 DDAB COC1(C(=O)NCc2cccc(N3CC[C@@H](N)C3)n2)CCCC1 1550196337 YYYPBOKXEWBVIT-CYBMUJFWSA-N 318.421 1.194 0 40 DDAB CO[C@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccco1 69371661 AYSYHBOVXYLDGN-PWSUYJOCSA-N 312.391 1.174 0 40 DDAB COc1ccc(-c2noc(=O)n2Cc2nccn2C)cc1OC 69442738 YWWXLUJCVFMDFE-UHFFFAOYSA-N 316.317 1.302 0 40 DDAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(N2CCCC2)CC1 70887601 ZAXQFDRQXWRIAI-GDBMZVCRSA-N 310.438 1.657 0 40 DDAB O=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCCCC1 71800140 OWQVAPRLXUQGDP-ZDUSSCGKSA-N 319.336 1.653 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2cc(C)on2)C1 44633868 BIUVKUHSSRGBHD-HIFRSBDPSA-N 305.378 1.905 0 40 DDAB O=C1CC[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)CN1 48083650 JFFYXERMXDEMMS-CQSZACIVSA-N 312.373 1.057 0 40 DDAB Cc1cccnc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 74106355 QSSRXEGPRGQPMZ-HNNXBMFYSA-N 318.421 1.396 0 40 DDAB CC(C)CO[C@@H](C)c1noc(CN(C)[C@@H]2CCN(C)C2=O)n1 74991264 WRHSHAXVSNSMKS-NWDGAFQWSA-N 310.398 1.466 0 40 DDAB CCN(C[C@H](C)C(=O)OC)C(=O)c1cnc2onc(C)c2c1 58343972 HGLWPLSOFPIKSM-VIFPVBQESA-N 305.334 1.802 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cnn(Cc2ccccc2)c1 40521639 BRZRACBGMKGNSP-OAHLLOKOSA-N 312.373 1.330 0 40 DDAB COc1ccc(S(=O)(=O)N(C)C[C@H](O)C2CC2)cc1OC 89340057 XJNIBCMSCOKFSP-LBPRGKRZSA-N 315.391 1.095 0 40 DDAB CO[C@H]1C[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](CN2C(C)=O)O1 5493115 CREDLTBHVJDDDE-XQLPTFJDSA-N 305.330 1.204 0 40 DDAB Cc1cc(C(=O)O)c2c(=O)nc(S)n(C[C@@H]3CCCO3)c2n1 12394886 OHFVIFSASRRCMW-QMMMGPOBSA-N 321.358 1.266 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)Nc2c[nH]c3ccccc3c2=O)C1 13565868 JPSPNHCTMUHBKB-JTQLQIEISA-N 314.345 1.257 0 40 DDAB CCn1cc(CNS(=O)(=O)c2cccc3cccnc23)cn1 14249528 OTRQWMCPTSFFPS-UHFFFAOYSA-N 316.386 1.930 0 40 DDAB CCOC(=O)[C@@H](C)c1n[nH]c(-c2ccc(OC)cc2)nc1=O 17122740 UMUUXUOLZWDXOS-VIFPVBQESA-N 303.318 1.507 0 40 DDAB Cc1nn(C)cc1C(=O)N1CC[C@H](C(=O)NC2CCCC2)C1 19747843 IHXRICACRZOMHN-LBPRGKRZSA-N 304.394 1.249 0 40 DDAB OCCN1CCN(C2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 19885672 QYNZLWAIULROHW-JZXOWHBKSA-N 307.482 1.249 0 40 DDAB CC[C@H](O)Cn1nnc([C@@H](NC(=O)c2ccccc2)C2CC2)n1 156843864 NEZRUJXXLMDZDU-KBPBESRZSA-N 315.377 1.325 0 40 DDAB COC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373181 IPZUUTPHPQQELG-UONOGXRCSA-N 319.405 1.743 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N(C)c1ccccc1 36398638 PTCZECRMYIMISI-KBPBESRZSA-N 315.417 1.638 0 40 DDAB Cc1cnc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 4144691 MEOIQQFSWSCSJZ-WCFLWFBJSA-N 305.378 1.883 0 40 DDAB CC[C@H](C)[C@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1 5681823 WTBXAAQCXSZQDA-GVXVVHGQSA-N 306.362 1.943 0 40 DDAB CCc1c(C)ncnc1N1CCN(Cc2nc(C)no2)CC1 1888843547 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C[C@@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1cccs1 32809235 VKCGQZQPUSRFKW-SNVBAGLBSA-N 310.423 1.058 0 40 DDAB Cc1csc(NC(=O)Cc2nc3nc(C)cc(O)n3n2)n1 102721015 HNGPYWDJKAHXIK-UHFFFAOYSA-N 304.335 1.084 0 40 DDAB CN1CCN(CCCCNC(=O)c2cc(F)cc(F)c2)CC1 41362966 KMWXLFBVZHQYJU-UHFFFAOYSA-N 311.376 1.722 0 40 DDAB O=C1CCCN1c1cccc(N[C@H]2CC(=O)N(C3CC3)C2=O)c1 103022422 GWSSRWMDCYRZQB-AWEZNQCLSA-N 313.357 1.515 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN(C)Cc1cnc(C)s1 104241861 XCBAXFYNMVJTEQ-GHRIWEEISA-N 307.423 1.550 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC[C@@H]1CCCO1 23876019 TWBWVEZSTNLYOA-NSHDSACASA-N 301.346 1.151 0 40 DDAB O=C(NCc1ccc(F)cc1)c1cc(F)ccc1-n1cnnn1 12409565 QCUFNSFFJAXYBR-UHFFFAOYSA-N 315.283 1.871 0 40 DDAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc2c(c1)OCO2 195110 KUDRBJCDTCKBDK-CYBMUJFWSA-N 304.302 1.558 0 40 DDAB Cc1ccc(NC[C@@H](O)CNC(=N)N)c(Br)c1 307839 YURPIHSKYCLLHR-MRVPVSSYSA-N 301.188 1.013 0 40 DDAB Cc1ccc(OCC(=O)NCc2nnc3n2CCC3)cc1C 54905140 LXCAOKGLQFIFJQ-UHFFFAOYSA-N 300.362 1.536 0 40 DDAB O=C(NCCc1ccccc1)c1c(O)c2c([nH]c1=O)CCCC2 9186667 QSXHIPCSAYXQJI-UHFFFAOYSA-N 312.369 1.932 0 40 DDAB biogenic Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccsc1 43111482 JIEACHDHGMUETD-UHFFFAOYSA-N 316.390 1.244 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(N)=O 72290079 RBFBNVKOYFCPBT-MEDUHNTESA-N 315.373 1.900 0 40 DDAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 106013105 MKXNSXJBFXQJAE-SNVBAGLBSA-N 301.339 1.399 0 40 DDAB COc1ccc([C@H](O)CNC[C@H]2CN(C3CC3)CCO2)cc1 78788250 BOGUMBYDFVAWCT-DLBZAZTESA-N 306.406 1.181 0 40 DDAB CCCn1nc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)ccc1=O 79102043 HQNBYLWFEWMTGP-AWEZNQCLSA-N 321.421 1.978 0 40 DDAB C[C@@H](CCc1ccccc1F)C(=O)Nc1cnn(CC(N)=O)c1 79581131 RCODTHXGCPARIX-NSHDSACASA-N 318.352 1.715 0 40 DDAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)NC(N)=O 3520658 GDFKFQPJPZFSPZ-SCSAIBSYSA-N 320.132 1.316 0 40 DDAB C[C@H]1CN(S(=O)(=O)N(CC2CC2)CC2CC2)[C@@H](C)CO1 107060163 JKNUXNFVCILBAE-RYUDHWBXSA-N 302.440 1.462 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@H](C)[C@H](C)n1cccn1 107309173 UEFSKCJULICGEI-RFAIYOIHSA-N 304.398 1.089 0 40 DDAB C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1C[C@H]2CC[C@H]1C2 107314928 QJHMXHMLOUVEGN-RCWTZXSCSA-N 312.391 1.482 0 40 DDAB CCN1CCN([C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)CC1 101274102 ANNSHVIMHKEVHO-INIZCTEOSA-N 315.417 1.573 0 40 DDAB O=S(=O)(N[C@H]1CCCN([C@H]2CCOC2)C1)c1ccccc1 108157327 NTGZXGYKLAEQMO-KBPBESRZSA-N 310.419 1.218 0 40 DDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)c1c[nH]c2ccccc12 10139141 CSEBPYSACRHABK-SECBINFHSA-N 310.313 1.968 0 40 DDAB Cc1ccc(-c2nnn(C[C@@H](O)CN3CCC(C)CC3)n2)cc1 58142462 GEWZEOIIYHSVGI-INIZCTEOSA-N 315.421 1.741 0 40 DDAB COc1cc(C(=O)N(C)C2CCCC2)ccc1OCC(N)=O 44890241 HXGDVJTZCLFGOI-UHFFFAOYSA-N 306.362 1.574 0 40 DDAB CC(=O)NCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 27672064 AQIYTKKYXOWJJI-UHFFFAOYSA-N 307.737 1.861 0 40 DDAB CNC(=O)C1(NS(=O)(=O)/C=C/c2ccc(C)cc2)CCCC1 58265833 OZNUDZPDMUHHMG-FMIVXFBMSA-N 322.430 1.944 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101667524 MWCLMMQVKACSCQ-AVGNSLFASA-N 302.378 1.304 0 40 DDAB Cc1cc(C)n(CCC(=O)O[C@H](C(N)=O)c2ccc(F)cc2)n1 10572945 KEEQAOMSFPRBPK-HNNXBMFYSA-N 319.336 1.799 0 40 DDAB Cc1ccc(OCCC(=O)NCc2nnc3n2CCC3)c(C)c1 45142451 NBDXXPIANASBNC-UHFFFAOYSA-N 314.389 1.926 0 40 DDAB O=C1CCCN1C(=O)CSc1nc(Cc2cccs2)n[nH]1 10633707 OTYIWFQDODOPAF-UHFFFAOYSA-N 322.415 1.698 0 40 DDAB NC(=O)c1c(NC(=O)Cn2ccnc2)sc2c1CCCC2 10809455 QVPHBQGLRJGRLX-UHFFFAOYSA-N 304.375 1.561 0 40 DDAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)N1CCNC1=O 24913706 QYNDRSBAZZUARI-UHFFFAOYSA-N 322.748 1.467 0 40 DDAB CC(C)[C@@H](C)NC(=O)COC(=O)c1sccc1-n1cnnn1 58938779 NCSZFPCONLTZHG-SECBINFHSA-N 323.378 1.041 0 40 DDAB Cc1noc(C)c1[C@H](C)CNC(=O)NCCN1CCOCC1 95433478 VASFKCYABFDUHI-LLVKDONJSA-N 310.398 1.026 0 40 DDAB Cc1cc(COC(=O)c2cccc(CS(C)(=O)=O)c2)no1 36784181 OZKGCJLVPVDANW-UHFFFAOYSA-N 309.343 1.885 0 40 DDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 45751264 WHGQKDHKEAZUMY-LBPRGKRZSA-N 302.330 1.299 0 40 DDAB Cc1nonc1NC(=O)CN1CCN(c2ccccc2)CC1 55364351 GSNRULMASPCPQH-UHFFFAOYSA-N 301.350 1.139 0 40 DDAB COCCCNC(=O)c1nc(Cc2c[nH]c3ccccc23)no1 12321144 XOXQCNZPXJHQHJ-UHFFFAOYSA-N 314.345 1.908 0 40 DDAB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)cc1 3289256 SHGHKXMUEWMGNJ-NSHDSACASA-N 319.404 1.180 0 40 DDAB CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc21 12686696 BGJIUNRSQIUNJQ-CQSZACIVSA-N 308.403 1.390 0 40 DDAB CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCS(=O)(=O)C1 10219797 WOXGQCHJLKCHNH-LBPRGKRZSA-N 320.370 1.601 0 40 DDAB O=C(OCc1nc2ccccc2s1)c1cc(=O)[nH]c(=O)[nH]1 3331822 ZSHOYNJGKCIDLN-UHFFFAOYSA-N 303.299 1.030 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn2ccccc2n1 87563229 GVEJZASRFXTFHX-NSHDSACASA-N 310.361 1.753 0 40 DDAB Cn1cc(C2CCN(CC(=O)Nc3nccs3)CC2)cn1 97203132 IMHMIWRVPWWEMM-UHFFFAOYSA-N 305.407 1.695 0 40 DDAB O=C(COC(=O)c1cc[nH]c(=O)c1)NCCC1=CCCCC1 84338940 UXVDXTCFGFZXNE-UHFFFAOYSA-N 304.346 1.538 0 40 DDAB O=C(CN1CCC(O)CC1)NCCOc1ccc(Cl)cc1 12911132 LZTAQFIAYHKONW-UHFFFAOYSA-N 312.797 1.292 0 40 DDAB O=C(O)c1nccnc1C(=O)Nc1ccnn1C1CCCC1 72401432 HPFOOOJIGNIOMX-UHFFFAOYSA-N 301.306 1.739 0 40 DDAB C[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 62913842 ZLTSULZRLJGKQD-SWLSCSKDSA-N 309.749 1.967 0 40 DDAB Cc1nc(CN2CCN(C(=O)NC3CCCCC3)CC2)n[nH]1 96013228 ZLDKFAXJYBODLC-UHFFFAOYSA-N 306.414 1.273 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N[C@@H](C)[C@H]3CCCO3)cc12 65401534 SFLCLNNXWIFWHX-GXFFZTMASA-N 303.366 1.966 0 40 DDAB CCCCOC(=O)CCS(=O)(=O)CCC(=O)OCCCC 4411346 VUUQFLLRJFDANW-UHFFFAOYSA-N 322.423 1.868 0 40 DDAB COc1ccccc1NC(=O)CN1C(=O)C2(CCCC2)N=C1O 4548245 BXPOPPYMSQMSII-UHFFFAOYSA-N 317.345 1.703 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 4740480 XSGKLJRPMUMFML-UHFFFAOYSA-N 316.332 1.946 0 40 DDAB CCN(CC)C(=O)CSCC(=O)N[C@@H](C)c1ccccn1 5700122 PVSULXBTSAOHFD-LBPRGKRZSA-N 309.435 1.860 0 40 DDAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCCNS(C)(=O)=O 95419591 LCTVEPCDTZVMHZ-IAQYHMDHSA-N 314.426 1.978 0 40 DDAB CCOc1ccccc1OCC(=O)N1CCCC[C@H]1C(=O)O 71831251 PTWZFQKDRQNNHG-LBPRGKRZSA-N 307.346 1.930 0 40 DDAB O=C([C@@H]1COc2ccccc2O1)N1CCN2CCCC[C@@H]2C1 71839663 CSFHUWALHWDSFJ-CJNGLKHVSA-N 302.374 1.523 0 40 DDAB COc1ccc(/C=C/C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1F 71823451 PXVADPVEMLTWNZ-UCYCBVHCSA-N 320.364 1.960 0 40 DDAB COc1ccnc(N2CCC(c3nnc4n3CCC4)CC2)n1 71819384 XWHFDWLENFWQFG-UHFFFAOYSA-N 300.366 1.407 0 40 DDAB O=C(CCc1nccs1)N1CCC[C@@H](N2CCNC2=O)C1 71841639 IKOMHTQSDDWHNK-LLVKDONJSA-N 308.407 1.092 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 16727028 RWWZBQSLEJDDST-UHFFFAOYSA-N 322.361 1.664 0 40 DDAB COC(=O)CNC(=O)c1cc(OC)ccc1Br 8231555 XCRYYMGXOUFXBO-UHFFFAOYSA-N 302.124 1.361 0 40 DDAB O=S(=O)(NC1CCN(Cc2ccccn2)CC1)C1CCCC1 69421003 CTOSQUHESAQBGH-UHFFFAOYSA-N 323.462 1.908 0 40 DDAB COc1cc(C)cc(OC)c1OCC(=O)NC1CCOCC1 69697686 BIGUYZGCNHVLEF-UHFFFAOYSA-N 309.362 1.686 0 40 DDAB C[C@H](NC(N)=O)C(=O)NCCc1ccccc1Br 69656760 XKLBRROFIBVVCE-QMMMGPOBSA-N 314.183 1.165 0 40 DDAB C[C@@H](NC(=O)NCc1cccnc1)C(=O)N1CCCC[C@H]1C 69770189 YVCAWCZRARLLJS-CHWSQXEVSA-N 304.394 1.670 0 40 DDAB CC(C)N(CCS(C)(=O)=O)CC(=O)Nc1ccc(F)cc1 69770296 JSWLFADIWMLYPF-UHFFFAOYSA-N 316.398 1.519 0 40 DDAB Cc1cccc(C(=O)NCCNC(=O)[C@H](O)c2ccccc2)c1 73016400 FUXNGURMQJCTDD-MRXNPFEDSA-N 312.369 1.575 0 40 DDAB COc1ccc(-c2noc(C3=NN(C)C(=O)CC3)n2)cc1OC 69813250 DFRLPOFVYREMEO-UHFFFAOYSA-N 316.317 1.710 0 40 DDAB COc1cccc(CNC(=O)CN[C@@H](C)[C@@H](C)n2cccn2)c1 69926552 FSHWUDGDOXACON-UONOGXRCSA-N 316.405 1.747 0 40 DDAB CC(=O)[C@H](C)OC(=O)CCNC(=O)N1CCc2ccccc2C1 69968308 SXEYMZGUZWXOLX-ZDUSSCGKSA-N 318.373 1.665 0 40 DDAB Cc1nc2n(n1)C[C@@H](NCc1ccc(-n3ccnc3)cc1)CC2 69927760 FVWJBIUUDQSIMW-HNNXBMFYSA-N 308.389 1.877 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)NC1CCCC1 9809901 WRDZIOGPTMFNHS-UHFFFAOYSA-N 304.394 1.660 0 40 DDAB Cc1noc(C)c1[C@H](C)NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 95426953 HHIRXBHLKBCSDJ-XDTLVQLUSA-N 320.393 1.805 0 40 DDAB Cc1ccc(OCCC(=O)NCc2cc(C(N)=O)no2)cc1C 84180727 NOFHLZSQZYHCKT-UHFFFAOYSA-N 317.345 1.476 0 40 DDAB O[C@@H](CNC[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1 72276756 BKQWMDUSCIYHPQ-CVEARBPZSA-N 316.380 1.908 0 40 DDAB CC[C@@](C)(CO)NC(=O)Nc1ccc(N2CCOCC2)nc1 72289107 GNRHVAQBVBZJMG-HNNXBMFYSA-N 308.382 1.201 0 40 DDAB CC[C@@H](C(=O)/N=c1/[nH]nc(-c2ccc(C)o2)[nH]1)N1CCCC1=O 95996082 HDIHTVNDHQXSEF-JTQLQIEISA-N 317.349 1.135 0 40 DDAB COC(=O)CN1CCCN(Cc2cccc3[nH]ccc23)CC1 95982756 SUKKOCZIDZNJMO-UHFFFAOYSA-N 301.390 1.849 0 40 DDAB C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C[C@@H]1O 89405543 MXBBKAYIIRYEHA-HZMBPMFUSA-N 321.352 1.198 0 40 DDAB CC(C)(C)[C@H](Cc1ccccc1)NC(=O)CSCC(N)=O 89621534 SBMVVCKBLWSEIB-ZDUSSCGKSA-N 308.447 1.979 0 40 DDAB Cc1nnc(CN(C)[C@@H]2CCN(CC3CCOCC3)C2)n1C 89735976 PQRQUMJPOGLFBX-OAHLLOKOSA-N 307.442 1.056 0 40 DDAB C[C@H](CCc1ccccc1)CC(=O)N[C@@]1(C(N)=O)CCCOC1 89895696 XKNSPNWAKOVGMQ-KDOFPFPSSA-N 318.417 1.796 0 40 DDAB CNC(=O)c1cccc(NC(=O)N[C@H](C)c2cnn(C)c2)c1C 76069520 OBGMCCZGCFFLDH-LLVKDONJSA-N 315.377 1.971 0 40 DDAB O=C(Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408618657 DUZYIVJQVZPIKP-PQTQVYOHSA-N 307.349 1.809 0 40 DDAB CC(C)n1cnc([C@@H]2CNC[C@@]23CCN(CC2CC2)C3=O)c1 306136418 PSSZMIVMRVVOBT-YOEHRIQHSA-N 302.422 1.780 0 40 DDAB Cc1nscc1C(=O)NCCOc1ccc(C(=O)O)cc1 516616383 SAJKAOGBFXUNHY-UHFFFAOYSA-N 306.343 1.959 0 40 DDAB O=C1CC[C@@H](Cn2nnc3cc(Cl)ccc3c2=O)CCN1 521394702 SGYARUDZNUTJQT-SECBINFHSA-N 306.753 1.361 0 40 DDAB O[C@]1(CNCc2ccc(-c3ccccc3)cc2)CNCCOC1 77393347 SRDVRGQUKHLQOZ-IBGZPJMESA-N 312.413 1.794 0 40 DDAB O=C(COCc1ccccc1)NCC[C@H](O)C1CCOCC1 217922557 SFOPIMFYKPZRSR-INIZCTEOSA-N 307.390 1.497 0 40 DDAB COC(Cn1c(=O)cnc2cc(Br)ccc21)OC 2362804641 DSALXQBALCKWLN-UHFFFAOYSA-N 313.151 1.778 0 40 DDAB O=C(CSc1ccc(F)cc1)N1CC(N2C(=O)CCC2=O)C1 238906117 RWACUOZDAFJEGV-UHFFFAOYSA-N 322.361 1.278 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C(C)(C)CO1 36075994 SGRFZEILZGVLNZ-SNVBAGLBSA-N 313.375 1.603 0 40 DDAB Cc1cn2ccnc(C(=O)N3CCC(c4cc[nH]n4)CC3)c2n1 562300223 XZFNUTHYMVIHHV-UHFFFAOYSA-N 310.361 1.781 0 40 DDAB Cc1ccc(C)c(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1 217391707 RDLJYNFRZBVZJB-UHFFFAOYSA-N 302.330 1.901 0 40 DDAB Cc1ncc(CN2CC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)cn1 72370010 LBRYULRCHJQXLN-CYBMUJFWSA-N 314.393 1.199 0 40 DDAB Cc1cnc(N2CCO[C@H](C(=O)NCc3ccccc3)C2)s1 72366425 MQNLQDRENHXHQW-AWEZNQCLSA-N 317.414 1.973 0 40 DDAB Cc1nn(C)c(C(N)=O)c1NC(=O)c1cc2sccc2n1C 40798706 HNTIFVSXTLMLBU-UHFFFAOYSA-N 317.374 1.633 0 40 DDAB CCOc1cc(Cl)ccc1S(=O)(=O)N1CCOCC1 41091817 QPKDRLUBNZUHOC-UHFFFAOYSA-N 305.783 1.760 0 40 DDAB CCn1nc(C)cc1CNC(=O)c1ccc2c(c1)OCCO2 226746781 JBXZDZXFYLWNGD-UHFFFAOYSA-N 301.346 1.913 0 40 DDAB Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2cnccn2)C1 225792207 KSHKWXFJLDLSAF-ZDUSSCGKSA-N 316.361 1.694 0 40 DDAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 223407494 OIMSWEOZGJJLAN-UHFFFAOYSA-N 322.386 1.768 0 40 DDAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NC[C@H]1CCCO1 225733035 FXYGZVWKQCXQRY-GFCCVEGCSA-N 320.776 1.950 0 40 DDAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)[nH]1 223564640 XCGINBHUFOCBSH-LSDHHAIUSA-N 316.430 1.991 0 40 DDAB Cn1cc(NC(=O)[C@]2(C)Sc3ccccc3NC2=O)cn1 40774239 PEGMXQAKIYAULE-AWEZNQCLSA-N 302.359 1.862 0 40 DDAB CC[C@H](C(=O)Nc1cnc2onc(C)c2c1)N1CCCC1=O 81317268 RSBGONYQLAJSRP-GFCCVEGCSA-N 302.334 1.871 0 40 DDAB Cc1cc(-c2noc(CNC(=O)c3c(C)n[nH]c3C)n2)no1 225813538 UURVKEMBIOZBDK-UHFFFAOYSA-N 302.294 1.303 0 40 DDAB CC(C)[C@H]1OC(NS(=O)(=O)c2ccc(Cl)cc2)=NC1=O 227173860 DDLYBCSWHZRZHA-SNVBAGLBSA-N 316.766 1.556 0 40 DDAB O=C(O)CCNC(=O)NCc1cccc(Br)c1 42435486 WGQZMFPAELOKKG-UHFFFAOYSA-N 301.140 1.723 0 40 DDAB CCc1noc(C)c1C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 330718323 AJEDTLKDOZVOOX-SCZZXKLOSA-N 302.396 1.439 0 40 DDAB O=C(c1ccsc1)N1C[C@H]2CN(c3cncnc3)C(=O)[C@H]2C1 96245206 INTJGKNHSAMSNH-AAEUAGOBSA-N 314.370 1.273 0 40 DDAB O=C(NCCOCCc1ccccc1)NC1CCC(O)CC1 96410459 CSBYVWOXXLMSAD-UHFFFAOYSA-N 306.406 1.848 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4ccco4)C[C@H]3O2)n1 96058196 NDGMJKBYZMXXCE-CYZMBNFOSA-N 303.318 1.963 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053611 JHVBFFXHEUGSTE-OCCSQVGLSA-N 308.341 1.212 0 40 DDAB NC(=O)[C@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1F 96452982 RQZKDSPHKGTHKE-WCQYABFASA-N 308.353 1.755 0 40 DDAB CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)[nH]n1 95415392 OOLXDDSEJYVVEO-QWHCGFSZSA-N 313.423 1.400 0 40 DDAB Cc1nnc([C@H]2CO[C@@H]3CN(C(=O)C4=CCCCC4)C[C@@H]32)o1 96215938 FOUYLAFGKGBRTR-HZSPNIEDSA-N 303.362 1.819 0 40 DDAB C[C@H](c1ccccn1)N1CCN(C(=O)Cc2cnn(C)c2)CC1 97378945 XGJARUZKCNOBSE-CQSZACIVSA-N 313.405 1.263 0 40 DDAB CCN(C)c1ccc(-c2noc(CNS(=O)(=O)CC)n2)cc1 95443097 BSZCXOUSCDVTGW-UHFFFAOYSA-N 324.406 1.632 0 40 DDAB O=C1COC2(CCN(Cc3ccccn3)CC2)CN1CC1CC1 96201389 GSJAEYHMKDDPBJ-UHFFFAOYSA-N 315.417 1.685 0 40 DDAB COc1ccc(C(=O)CNC(=O)CCCn2cccn2)cc1 95479608 VORDCROBVXNWNX-UHFFFAOYSA-N 301.346 1.671 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccncc2)C1 95864745 WICUPPYAMZXFKJ-STQMWFEESA-N 321.377 1.806 0 40 DDAB Cc1nc(CN2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)cs1 96064195 YFVZYDHSARIRBP-RBSFLKMASA-N 321.446 1.567 0 40 DDAB 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Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)[C@H](C)O)CC1 95964821 HJLDZAIPEZMCHV-HOTGVXAUSA-N 319.449 1.629 0 40 DDAB O=C(NC1CCCC1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060307 QNAFGZALMWBOSW-NSHDSACASA-N 314.393 1.628 0 40 DDAB CS(=O)(=O)CCCC(=O)N(CC(=O)O)C1CCCCC1 95989443 RBTWLRHJMQFLQF-UHFFFAOYSA-N 305.396 1.057 0 40 DDAB COCCS(=O)(=O)N[C@H](C)c1ccc(OC(F)F)cc1 72230484 AYKVSZAIZNZJOD-SECBINFHSA-N 309.334 1.915 0 40 DDAB CCc1nc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)no1 72275546 SADUEZXMDQTWDL-CYBMUJFWSA-N 300.362 1.976 0 40 DDAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCc2nccn2C1 97197336 DBMVMWBKLGLVSY-YCPHGPKFSA-N 321.421 1.534 0 40 DDAB O=C1[C@H](SC[C@@H](O)CO)CCN1c1ccccc1Cl 95963818 DNVZWLAAVRKIIN-JOYOIKCWSA-N 301.795 1.532 0 40 DDAB CCC[C@@H]1C(=O)NCCN1Cc1noc(C2CCOCC2)n1 95946417 PAUWNXJMWCUIBQ-GFCCVEGCSA-N 308.382 1.064 0 40 DDAB CC(=O)N[C@@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 95951785 XXBXALVCPVSZRE-CVEARBPZSA-N 303.406 1.416 0 40 DDAB C[C@@H](NC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCCO1 95950776 VWGVUFBVMDBPGA-HIFRSBDPSA-N 307.394 1.674 0 40 DDAB COC[C@H](O)CNC(=O)c1cc(C)n(-c2ccccc2Cl)n1 95989158 JAPKACZUKOYJSA-LLVKDONJSA-N 323.780 1.571 0 40 DDAB CC[C@@H]1CN(C(=O)CCc2cscn2)C[C@@H]1N1CCOCC1 84735835 FBECSAGQXJNZNW-HIFRSBDPSA-N 323.462 1.645 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cn1 74970972 ZWPLKVQYQGILQZ-OLZOCXBDSA-N 312.439 1.321 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)s1 75609880 GCARDTBKUNHPRS-UHFFFAOYSA-N 316.335 1.870 0 40 DDAB COCCn1cc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cn1 76057604 YMWQCCPSBSCXQL-GDBMZVCRSA-N 322.453 1.512 0 40 DDAB Cn1c(C(=O)Nc2nnn[nH]2)cc2cc(C(F)(F)F)ccc21 76066108 QFZZESGDTVWKRS-UHFFFAOYSA-N 310.239 1.963 0 40 DDAB Cn1cc(CN2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)cn1 306128944 HOZAMRQCIZVJAQ-CVEARBPZSA-N 320.400 1.908 0 40 DDAB COC(=O)[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)C(C)C 32902336 HKDSWBCJGQARSM-GFCCVEGCSA-N 313.375 1.018 0 40 DDAB Cc1cccc([C@@H](CNC(=O)NC2CC2)N2CCOCC2)c1 36075800 FZKBNRRQDLNYGO-MRXNPFEDSA-N 303.406 1.830 0 40 DDAB COc1ccccc1C(=O)NCCC(=O)NCc1ccccn1 32998063 LUWRMVVVZBWAIG-UHFFFAOYSA-N 313.357 1.527 0 40 DDAB CC[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O 74364724 IXIOPBVLKHMEGJ-ZSEKCTLFSA-N 308.403 1.764 0 40 DDAB N[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218039037 CDUKAWAUSBSEPE-PMPSAXMXSA-N 303.383 1.316 0 40 DDAB COC(=O)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N1CCCC1 74690064 DDAJCDSFWZQHGK-XJKSGUPXSA-N 304.390 1.891 0 40 DDAB Cc1ncsc1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 78984900 AHWJWMOUXHMMQZ-TVQRCGJNSA-N 312.416 1.949 0 40 DDAB Cc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224189554 FHKWWDMRGPCSCM-UHFFFAOYSA-N 320.418 1.638 0 40 DDAB CC(C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944694 KORRSMYLFSWZBQ-LBPRGKRZSA-N 302.371 1.331 0 40 DDAB O=C(NCc1ccccc1)C(=O)Nc1cccc(-n2cnnc2)c1 44891747 KWJYEJHNVZDTEE-UHFFFAOYSA-N 321.340 1.522 0 40 DDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(C(=O)O)ccn1)C2 570617102 BFQLHVZDOCKULQ-GFCCVEGCSA-N 312.329 1.166 0 40 DDAB COc1ccc(CNC(=O)c2cc(N3CCOCC3)on2)cc1 224071587 JRPBAYBOUAQVAI-UHFFFAOYSA-N 317.345 1.450 0 40 DDAB Cc1cnc(C)c(N2CCC(C(=O)Nc3nncs3)CC2)n1 195563727 TXRSINJJJXTUNI-UHFFFAOYSA-N 318.406 1.800 0 40 DDAB O=C1CN(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)CN1CCC(F)(F)F 333406736 OYTBZNUCEVFNLT-ILWJIGKKSA-N 305.300 1.549 0 40 DDAB Cn1cc(CN2CCn3cnc(COCC4CC4)c3C2)cn1 96260197 GWPMIDYQRDZGLB-UHFFFAOYSA-N 301.394 1.559 0 40 DDAB O=C1CCCN1[C@@H]1CN(CC2CCOCC2)C[C@@H]2CCCO[C@@H]21 96057110 VCZZJWXENRQGCK-JZXOWHBKSA-N 322.449 1.515 0 40 DDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 96404833 PNNADPWZZZGXII-LSDHHAIUSA-N 318.398 1.348 0 40 DDAB Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)C(=O)N(C)C)c1 96408475 ISTYBIMDCFXWTP-CYBMUJFWSA-N 303.406 1.802 0 40 DDAB CCn1c(CN)nnc1Sc1ncc(Br)cn1 96450081 FKVFYZYPQNMACZ-UHFFFAOYSA-N 315.200 1.460 0 40 DDAB O=C1CCC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 96455946 GULLVSFLJQPFQJ-UHFFFAOYSA-N 323.343 1.236 0 40 DDAB c1ccc(COC[C@]23COC[C@H]2CN(C2CCOCC2)C3)nc1 96109021 GPQJYCJLAJYVKI-QAPCUYQASA-N 318.417 1.726 0 40 DDAB Cc1noc(C)c1CC(=O)N1C[C@H](C)NC(=O)c2ccccc21 97370818 KXMGABZGYKFUPZ-JTQLQIEISA-N 313.357 1.999 0 40 DDAB CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21 96043306 CWKODVOPXOEOKC-FRRDWIJNSA-N 309.435 1.458 0 40 DDAB COCCN1CCC2(CCN(C(=O)c3ccco3)CC2)C1=O 96157769 ZFJGSUZFVVWMSQ-UHFFFAOYSA-N 306.362 1.381 0 40 DDAB Cc1cn(C)c([C@H]2CN(C(=O)CCn3nccc3C)CCO2)n1 257322634 WGTPYLCYPWBXMX-CQSZACIVSA-N 317.393 1.224 0 40 DDAB COc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O 257218713 DEEZHLOWEPRYOK-MGPQQGTHSA-N 308.378 1.481 0 40 DDAB CO[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[C@@]12CCCO2 257327699 XCHLDUXSWDJFNY-YOEHRIQHSA-N 317.389 1.764 0 40 DDAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1cncs1 257202868 ANTRMRTZQBSYLP-YRGRVCCFSA-N 309.435 1.641 0 40 DDAB O=C(c1ccncc1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257265774 MAFCFGIROZARRT-QZTJIDSGSA-N 323.396 1.325 0 40 DDAB Cn1ccc(C(=O)N2CC[C@@H](c3ncn4ccsc34)C2)n1 257232909 GMYJAWJSVSTSRN-SNVBAGLBSA-N 301.375 1.759 0 40 DDAB COCCc1noc(C2CCN(C(=O)c3ccccn3)CC2)n1 90608731 QDTYYWXNQVJAED-UHFFFAOYSA-N 316.361 1.673 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3oc(CC)nc3C)CCO2)n1 293126764 IKQRATUYTBNKIJ-SNVBAGLBSA-N 319.365 1.440 0 40 DDAB OC[C@]1(Cc2ccc(F)cc2)CN(C2CCOCC2)CCO1 585269272 NXBWFNGPRAPISE-KRWDZBQOSA-N 309.381 1.611 0 40 DDAB COCCN1CCN([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1C 70040025 YJXRKXBRXKYJNR-HOTGVXAUSA-N 311.470 1.430 0 40 DDAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2c(c1)OCO2 32789023 BFZAOZWMDQEERF-UHFFFAOYSA-N 301.302 1.587 0 40 DDAB Cc1nc(CN2CCC[C@@H](NCc3csc(C)n3)C2)no1 71877263 ATYKWMNQRWCGPU-GFCCVEGCSA-N 307.423 1.897 0 40 DDAB c1cc(-c2ccc(N3CCN(Cc4nnco4)CC3)nn2)ccn1 1776008452 FWZUPVGZEJEJMP-UHFFFAOYSA-N 323.360 1.244 0 40 DDAB CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1CCc2ccccc21 56405542 ACXRYKADLOOAGA-GFCCVEGCSA-N 320.370 1.687 0 40 DDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 40477429 DCZPOFUBBDILSC-OCCSQVGLSA-N 304.346 1.161 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(CCc3ccccn3)CCO2)n1 75133053 YIOBKLIBVQKIJP-INIZCTEOSA-N 301.394 1.233 0 40 DDAB CO[C@@]1(CNC(=O)NCCOc2ccccc2)CCSC1 96097776 IIEWPBPOCJIOKX-OAHLLOKOSA-N 310.419 1.887 0 40 DDAB CCc1ccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)s1 96365202 PJPJUGJKAREGTK-JTQLQIEISA-N 323.461 1.118 0 40 DDAB Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccccc3)CCO2)cn1 98020256 RIDXOUNFVZNIPR-OAHLLOKOSA-N 321.402 1.356 0 40 DDAB O=C(COc1ccccc1)NCCc1csc2ncnn12 5484607 NMRBVJXNLXGLIX-UHFFFAOYSA-N 302.359 1.529 0 40 DDAB CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N 5555193 KXTKWOJXDRCZGC-UHFFFAOYSA-N 309.370 1.814 0 40 DDAB C[C@H]1C[C@H]1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 5700885 KZUODDHFEGWSGU-GXFFZTMASA-N 322.336 1.422 0 40 DDAB CCN(CC)C(=O)CN(c1ccccc1F)S(C)(=O)=O 5952339 FDEFNUJYQIWBCQ-UHFFFAOYSA-N 302.371 1.460 0 40 DDAB COc1cc(C2N3CC4(C)CN2CC(C)(C3)C4O)ccc1O 19320066 ZYHQPBNJBSJKKD-UHFFFAOYSA-N 304.390 1.418 0 40 DDAB biogenic O=C(NCCOC[C@H]1CCCO1)c1noc2c1CCCCC2 153561674 OTJIHEHDIFKTTE-GFCCVEGCSA-N 308.378 1.869 0 40 DDAB CO[C@H]1[C@H](CNC(=O)COc2ccccc2C)COC[C@H]1OC 643585473 NWXOFILHUHOCDG-UNEWFSDZSA-N 323.389 1.166 0 40 DDAB NC(=O)NC(=O)CSc1nccn1-c1cccc(Cl)c1 10876517 HOHQSHJSISNKHF-UHFFFAOYSA-N 310.766 1.813 0 40 DDAB O=C([C@H]1CN(c2nc3cnccc3s2)CCO1)N1CCCC1 1889114155 KEAULQZOZNUUDP-GFCCVEGCSA-N 318.402 1.519 0 40 DDAB Cc1nc(C(=O)N2C[C@H](C)O[C@H](C)C2)nn1-c1ccc(F)cc1 17327744 JCUZLNQPONNFEI-PHIMTYICSA-N 318.352 1.964 0 40 DDAB O=C(c1ccoc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 25819143 HGELWXWGVOSDKF-LBPRGKRZSA-N 309.343 1.702 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 240067938 SEBDQHQTPHKLOW-QLFBSQMISA-N 319.357 1.540 0 40 DDAB CCn1cc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cn1 2037981139 WNTPDTNWEOUKBZ-INIZCTEOSA-N 306.410 1.116 0 40 DDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 2055837443 AOPISYPUQPJLNT-CYBMUJFWSA-N 314.451 1.198 0 40 DDAB O=C([C@H]1COCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 31125407 DPFWVKYEWJRDCC-SWLSCSKDSA-N 316.357 1.949 0 40 DDAB COC(=O)c1ccc(NCCn2nc3ccccn3c2=O)cc1 30588283 BEXOISBYPDNLOE-UHFFFAOYSA-N 312.329 1.395 0 40 DDAB CN1CCN(c2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)CC1 40288014 HZEOEKKEGHYQQI-UHFFFAOYSA-N 322.372 1.132 0 40 DDAB O=C(N[C@H]1CCCNC1=O)c1c2c(nc3ccccc13)CCC2 50635497 LQKFXVZMTPEONW-HNNXBMFYSA-N 309.369 1.732 0 40 DDAB O=C(Cn1nc(C(F)F)cc1C(F)F)NN1CCOCC1 373572 BCMTZZYTJJHXGX-UHFFFAOYSA-N 310.251 1.122 0 40 DDAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1 21668603 HFTXRHCRNAJZNH-GWCFXTLKSA-N 314.382 1.427 0 40 DDAB NC(=O)CN(Cc1csc(-c2ncccn2)n1)C1CCCC1 52844407 ILLGPTZTHNESSW-UHFFFAOYSA-N 317.418 1.830 0 40 DDAB CCc1ccc(CCC(=O)NCCN2CCN(C)CC2)cc1 42003087 QMROEANNTDADRJ-UHFFFAOYSA-N 303.450 1.545 0 40 DDAB COC(=O)CNC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 22734239 YTYCWWNPMJBEKW-VIFPVBQESA-N 307.375 1.641 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2F)cc1O 104133889 OFSQIVIYNSNTHT-JTQLQIEISA-N 305.309 1.626 0 40 DDAB C[C@@H](NC(=O)NCCc1cn2ccccc2n1)[C@@H]1CCCO1 42325219 UOXKDBRRBHTFJY-OCCSQVGLSA-N 302.378 1.744 0 40 DDAB Cc1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)n1C 23573754 VQYOIKJMRQCQQV-UHFFFAOYSA-N 300.358 1.964 0 40 DDAB COC(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 148667 SFRSAFPHMAAZND-UHFFFAOYSA-N 324.358 1.505 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CC1 204346 TWFMRWXFNNAXAV-UHFFFAOYSA-N 318.358 1.626 0 40 DDAB CCCc1nc(C)c(C(=O)N[C@H]2CCS(=O)(=O)C2)s1 42853644 IGBQVNKUSNMYOP-VIFPVBQESA-N 302.421 1.321 0 40 DDAB C[C@H](O)CNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 47674056 GXNUZOXJUBAKSQ-VIFPVBQESA-N 314.769 1.681 0 40 DDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H]1CCCNC1=O 84410498 SFSZSPDMEAORBS-GJZGRUSLSA-N 321.396 1.971 0 40 DDAB CCCC(=O)N1CCC(C(=O)NCCN2CCC[C@@H](C)C2)CC1 55377965 MCDHREWOACOIGZ-OAHLLOKOSA-N 323.481 1.873 0 40 DDAB C[C@H]1C[C@@H]1C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 55645349 VWOUWODMWRXMCQ-ZFWWWQNUSA-N 322.430 1.566 0 40 DDAB CC(C)c1noc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1 25448373 XWJRXOHZFJJBQC-ZDUSSCGKSA-N 300.362 1.605 0 40 DDAB CC(=O)[C@H]1[C@H](c2sccc2C)NC(=O)N[C@@]1(O)C(F)(F)F 4387638 HFTMWFJZNYYHAM-RNSXUZJQSA-N 322.308 1.867 0 40 DDAB CCN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 6630192 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O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)[nH]n1 44934111 WKYQVKORCRYVAS-UHFFFAOYSA-N 304.350 1.122 0 40 DDAB O=C1C[C@@]2(CN1)CN(Cc1cccnc1)CCN(CC1CC1)C2 107240238 SMSLOGHXIWCDLH-SFHVURJKSA-N 314.433 1.116 0 40 DDAB COc1cc(CNC(=O)CN2CCc3sccc3C2)ccn1 58343417 JGFYVIHFPMDPPG-UHFFFAOYSA-N 317.414 1.826 0 40 DDAB c1ccc(Cn2cncn2)c(CNC[C@H]2CNc3ccnn3C2)c1 58370927 WRMYBPGLAOLLOK-AWEZNQCLSA-N 323.404 1.354 0 40 DDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)cc2O)CC1 28197203 ILDILYDHQYVKDB-UHFFFAOYSA-N 308.334 1.315 0 40 DDAB O=C(NCc1cccnc1)C(=O)NCc1ccccc1Cl 9858378 GKEHAIHNYMSAIB-UHFFFAOYSA-N 303.749 1.668 0 40 DDAB Nc1ncc(Cl)cc1S(=O)(=O)NCCC(F)(F)F 95433848 FKDOCQPHLVABKK-UHFFFAOYSA-N 303.693 1.548 0 40 DDAB C[C@@H]1CN(C(=O)COc2ccc(-c3nnco3)cc2)CCO1 10859053 ZVTFPOBGYXHSDC-LLVKDONJSA-N 303.318 1.363 0 40 DDAB CN1CCO[C@H](C(=O)NCC2(c3ccc(F)cc3F)CC2)C1 95446826 WDIUNPPRCMRWCA-AWEZNQCLSA-N 310.344 1.443 0 40 DDAB NC(=O)COc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 29014582 DGVPXHQONLTPPE-HNNXBMFYSA-N 312.325 1.493 0 40 DDAB COC1=N[C@@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 101043207 XWNXJJMUULZBPK-OJVARPOJSA-N 308.337 1.651 0 40 DDAB COC(=O)CCCNC(=O)c1nc(SC)ncc1Cl 29460640 IDIAAHRSKQPNFL-UHFFFAOYSA-N 303.771 1.535 0 40 DDAB O=C(NCc1cccnc1-n1ccnc1)N1CCSCC1 46098519 NZNVPFKERWLEIY-UHFFFAOYSA-N 303.391 1.526 0 40 DDAB COc1ccc(Cc2n[nH]c(SCC(=O)O)n2)cc1OC 20159440 VHYJWFQOYRJPQG-UHFFFAOYSA-N 309.347 1.589 0 40 DDAB CCCNC(=O)CN1CCN(c2ncnc3ccsc23)CC1 95946700 HTDXPNTXLUDYDN-UHFFFAOYSA-N 319.434 1.340 0 40 DDAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)nc1 27976153 VNVRJINVSPBEIM-GFCCVEGCSA-N 324.344 1.772 0 40 DDAB COC(=O)C1=C(C(=O)OC)[C@]2(c3ccc(OC)cc3)C=C[C@@H]1O2 101443233 FZIWRTKVHSYYOT-YVEFUNNKSA-N 316.309 1.502 0 40 DDAB CCCOc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 48363288 LSNXRBTWSYGOIP-LLVKDONJSA-N 312.391 1.784 0 40 DDAB Cc1ccc([C@@H](CNC(=O)[C@H]2CCCO2)N2CCOCC2)o1 48325544 GXHNEHIDDDVSKR-UKRRQHHQSA-N 308.378 1.257 0 40 DDAB O=C(NCc1nnc(-c2ccco2)o1)C(=O)NC1CCCC1 12865440 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CSc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1 8024122 LLHTWUGAMZDJFK-UHFFFAOYSA-N 308.403 1.986 0 40 DDAB NC(=O)CC1CCN(C(=O)CCOCc2ccccc2)CC1 71821027 MFSNCAAMUMSJLP-UHFFFAOYSA-N 304.390 1.707 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3nccs3)CC2)cn1 71830457 WKAQPFCMWRDXTI-OLZOCXBDSA-N 317.418 1.329 0 40 DDAB Cc1cc(N)nc(SCCNC(=O)OCC(F)(F)F)n1 70039593 KITMOPJOINKGCF-UHFFFAOYSA-N 310.301 1.748 0 40 DDAB CN(c1ncnc2c1cnn2C)[C@@H]1CCCN(c2cccnn2)C1 70006713 VTHHORYZMXOWPF-GFCCVEGCSA-N 324.392 1.259 0 40 DDAB C[C@H](CC[C@H]1CCCO1)NC(=O)c1ccccc1-n1cnnn1 69322383 OCXONQFSGJLORK-CHWSQXEVSA-N 315.377 1.740 0 40 DDAB Cc1noc(C)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 28232870 BLFWUWVLBOSUJD-UHFFFAOYSA-N 315.439 1.879 0 40 DDAB COCC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 71911435 YYABBKAHGOPKHO-QWRGUYRKSA-N 316.398 1.510 0 40 DDAB COc1ccc(NC(=O)C2CC2)c(N2CCN(C(C)=O)CC2)n1 69452075 VCNZNDCTSKAPAW-UHFFFAOYSA-N 318.377 1.107 0 40 DDAB CC(=O)NCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 69437267 HISKARQYHIUDJD-BBRMVZONSA-N 303.406 1.464 0 40 DDAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1nccs1 69846720 LTOADZOHDCMXBO-QWRGUYRKSA-N 317.370 1.763 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 83984914 UPJVUAIPOUDVAY-HUUCEWRRSA-N 322.430 1.284 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCCCCC1 8971748 ULOJIWIHZALKHN-UHFFFAOYSA-N 301.346 1.092 0 40 DDAB O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1csnn1 97095783 JQYUZCWNDAOOKQ-UHFFFAOYSA-N 300.347 1.296 0 40 DDAB CCc1ccsc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269180 AWRBUXIKNCDWBC-ZIAGYGMSSA-N 308.447 1.982 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCN2CCC[C@@H]2C1 72277703 ZRDCQIDYANXGQW-CYBMUJFWSA-N 308.403 1.090 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=O)NC[C@H](OC)c1ccccc1 72270057 RKKMUBNBKZEOJW-KGLIPLIRSA-N 305.378 1.294 0 40 DDAB COCCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1OC 72273671 ACPKASVKHLSTEZ-JTQLQIEISA-N 303.380 1.331 0 40 DDAB Cn1c(CNC(=O)Nc2ccc(Cl)cc2)cc(=O)n(C)c1=O 72306165 PPHSFKFYVFGGHO-UHFFFAOYSA-N 322.752 1.059 0 40 DDAB CN(C)c1cc(C(F)(F)F)nc(NCCc2cncn2C)n1 97373084 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CCn1ncc(CNC(=O)Nc2ccc3c(C)n(C)nc3c2)n1 529108624 XHAMNQZJDIRWDS-UHFFFAOYSA-N 313.365 1.815 0 40 DDAB Cn1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)c2nccnc21 72393901 UOYMBGZGFKRYJX-LBPRGKRZSA-N 322.372 1.778 0 40 DDAB COC(=O)c1c(C)n[nH]c1NC(=O)Cc1ccccc1C(=O)O 71288719 KEAPZTKWLINQAT-UHFFFAOYSA-N 317.301 1.384 0 40 DDAB OCCN1CCO[C@@H](COc2ccccc2Br)C1 217496230 GRWMIPHQVNRYJN-LLVKDONJSA-N 316.195 1.521 0 40 DDAB O=C1c2ccccc2C(=O)N1CC[C@@H]1N=C2C=CC=CN2[C@H]1O 70503679 YDWFFOGAZHMTKE-GUYCJALGSA-N 309.325 1.157 0 40 DDAB NC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)c1 40473609 KRHYIZWMSYDPDX-UHFFFAOYSA-N 308.301 1.218 0 40 DDAB COCCOc1ncccc1NC(=O)N[C@]12C[C@H]1COC2(C)C 528963443 LQXQEFDGTBEHPG-MEDUHNTESA-N 321.377 1.796 0 40 DDAB CCn1c([C@@H]2CCCN2CCS(N)(=O)=O)nc2ccccc21 84131484 FZJLAWLNMAEOQE-AWEZNQCLSA-N 322.434 1.482 0 40 DDAB CN(C)C(=O)[C@H]1[C@H]2NC(=O)N[C@@]1(C)Oc1ccc(Cl)cc12 227263711 QYXZUWYFVCJEKZ-SUNKGSAMSA-N 309.753 1.507 0 40 DDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCOC2(CCC2)C1 1580404985 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DDAB O=C(C[C@@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1)N1CCC1 96220748 FDYJOBWMPAVQOM-RWMBFGLXSA-N 307.419 1.355 0 40 DDAB CC(C)c1n[nH]c(NC(=O)Cn2cnc3sccc3c2=O)n1 95476647 OTMUYIYGRIGYRJ-UHFFFAOYSA-N 318.362 1.338 0 40 DDAB O=C1CC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)N1 96411249 QUKTUPFUFYSPGI-ONGXEEELSA-N 304.243 1.824 0 40 DDAB CN(C)C(=O)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238709 QMCQWZZKGIZWFF-INIZCTEOSA-N 305.353 1.936 0 40 DDAB COCCN1C(=O)CC[C@]12CCCN(Cc1nccn1C)C2 96203174 SERQOWKJDGVIFV-INIZCTEOSA-N 306.410 1.024 0 40 DDAB Cc1ccc(NC(=O)Nc2cnn(C[C@H](O)CN(C)C)c2)s1 96441315 RIOXOWUQSQVUFM-GFCCVEGCSA-N 323.422 1.820 0 40 DDAB O=C(Cn1ccnc1)NCc1cnc([C@H]2CCCCO2)nc1 257234909 GVOMTZMVMJDLOH-CYBMUJFWSA-N 301.350 1.231 0 40 DDAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@](C)(C(=O)NC)C1 257294722 QVJSQXYGIGBSKY-MRXNPFEDSA-N 322.409 1.004 0 40 DDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2ccnn2C)n1 257281352 OOUHXMVUPLRKFY-OAHLLOKOSA-N 314.393 1.183 0 40 DDAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cnn(C)c2)n1 257326288 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Cc1cc(N2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)ncn1 1065954783 ORVICJSJAKPOFM-GASCZTMLSA-N 309.373 1.388 0 40 DDAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)[C@@H](C)NC(N)=O 56097731 FTTRONTXHUJQDX-ZJUUUORDSA-N 300.362 1.670 0 40 DDAB O=C1CCSC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)N1 75171388 ZGLFUURBMDFIKA-PCPABOIYSA-N 308.447 1.693 0 40 DDAB CSCC(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 75415940 WDTQHUPQAGUYQD-UHFFFAOYSA-N 308.447 1.987 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N(C)Cc1ccc(Cl)nc1 80910518 QLFMUIZRHICDKU-SNVBAGLBSA-N 305.769 1.984 0 40 DDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCCCNC1=O 40522130 FGSUVKUSXGXWJJ-HNNXBMFYSA-N 320.437 1.483 0 40 DDAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(CS(C)(=O)=O)c1 42532405 BWHPKOGBCULGAS-LBPRGKRZSA-N 321.402 1.246 0 40 DDAB CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1nccnc1N 189514484 ORXFGYFNLNCJHU-QGZVFWFLSA-N 314.389 1.862 0 40 DDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)NC1CCCCCC1 5353127 SPZQNNIUMKJGRG-AWEZNQCLSA-N 324.421 1.627 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O 13165028 VANPHHLNAYJHEL-GRYCIOLGSA-N 323.393 1.127 0 40 DDAB COC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 13670050 HMAZVMCVENHBNM-UHFFFAOYSA-N 311.403 1.710 0 40 DDAB O=C1c2cc3c(cc2CC[C@H]1CN1CCOCC1)OCCO3 19204612 JRSVYGYMRHSRPQ-ZDUSSCGKSA-N 303.358 1.535 0 40 DDAB O=C(CN1C(=O)[C@@H]2CCCN2c2ncccc21)NC1CCCC1 19346584 PUAOOYJFOXGCPI-AWEZNQCLSA-N 314.389 1.456 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)co1 551810763 MBAVQWWBROMTLY-SMDDNHRTSA-N 316.361 1.271 0 40 DDAB FC(F)(F)c1ccnc(OC2CCN(C3COC3)CC2)n1 1888834126 SFVCGZOMWVXUNM-UHFFFAOYSA-N 303.284 1.737 0 40 DDAB CCN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 22877012 RKGAJHGBEHLYPN-AWEZNQCLSA-N 307.413 1.510 0 40 DDAB Nc1cc(N)nc(SCc2cc(=O)n3ccsc3n2)n1 3524867 MSMXZFHFNYFJQO-UHFFFAOYSA-N 306.376 1.003 0 40 DDAB O=C1CN(C(=O)CCSc2ccc(F)c(F)c2)CCN1 32747971 RDUZWJDLVXSXBL-UHFFFAOYSA-N 300.330 1.405 0 40 DDAB O=C(c1cncnc1)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223285 CWUPXSKWVWFUHG-HOTGVXAUSA-N 316.405 1.192 0 40 DDAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@H](N(C)C)CO2 1565552888 BEKWWFUBQMZPMM-ZDUSSCGKSA-N 319.405 1.416 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)c1csnn1)CC2 1565544525 JWSBMBFOAOGRRH-UHFFFAOYSA-N 323.466 1.170 0 40 DDAB Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@H]2c1ccc(F)cc1 4742256 OLASVPYHZCKOTK-JTQLQIEISA-N 313.292 1.041 0 40 DDAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccncc1 9844028 CHVVRLBBVNTFAP-UHFFFAOYSA-N 320.352 1.735 0 40 DDAB COc1nc(CNC(=O)Nc2cccc(Cl)c2)nc(OC)n1 575608794 YJIKUZWVYNTGKD-UHFFFAOYSA-N 323.740 1.864 0 40 DDAB COc1nn(C)cc1C(=O)NCCn1cc(-c2ccoc2)cn1 575615518 PRVRNSQYVDYXGM-UHFFFAOYSA-N 315.333 1.315 0 40 DDAB Cc1cnc2c(c1NCc1ccco1)c(=O)n(C)c(=O)n2C 12226748 YAIGDYCWZMYUJG-UHFFFAOYSA-N 300.318 1.146 0 40 DDAB C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O 20223421 DGRVNRNXPFQHKO-SSDOTTSWSA-N 307.165 1.944 0 40 DDAB in-vitro O=C(c1ccco1)N1CCN(C[C@@H](O)c2cccs2)CC1 30148242 HUCJFXOWKUAAIB-GFCCVEGCSA-N 306.387 1.833 0 40 DDAB CN(C)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 30117580 XZYKZNDQESDISU-UHFFFAOYSA-N 319.386 1.803 0 40 DDAB Cc1ccc([C@@H](C)NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)o1 40039907 SWZWOXWAGFGKAJ-GRYCIOLGSA-N 302.396 1.593 0 40 DDAB CCn1c(=S)[nH]c(O)c([C@@H]2NCCc3ccccc32)c1=O 20149698 CBGAZRWWZONFFT-GFCCVEGCSA-N 303.387 1.866 0 40 DDAB O=C(N[C@@H]1CCCNC1=O)c1c2c(nc3ccccc13)CCC2 50635494 LQKFXVZMTPEONW-OAHLLOKOSA-N 309.369 1.732 0 40 DDAB O=C(NCc1nnc2n1CCCCC2)c1ccc2c(c1)CCO2 40498469 WBJVQLNMJWQWFN-UHFFFAOYSA-N 312.373 1.869 0 40 DDAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCNCC3)cnc12 20461675 DNHRYJRKYJOHNN-UHFFFAOYSA-N 311.389 1.091 0 40 DDAB Cn1[nH]c(=O)c2c(C(=O)NCc3ccccn3)cc(C3CC3)nc21 31811378 VDXBQMSWPXWBJE-UHFFFAOYSA-N 323.356 1.464 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCC(N)=O)c12 40523718 BFRCGCKMKIBLEM-UHFFFAOYSA-N 315.377 1.149 0 40 DDAB O=C(NCC1CCC1)[C@H]1CCCN1C(=O)c1ccccc1O 52717844 CUXVZBKACXOPQE-CQSZACIVSA-N 302.374 1.913 0 40 DDAB COC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 489470 VXPTYULQZJTIPN-UHFFFAOYSA-N 320.297 1.369 0 40 DDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccnn2C)c1 483136 HBGRFHUHGYZCES-UHFFFAOYSA-N 317.301 1.246 0 40 DDAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nncn2C)c1 23636919 DEQAKISJDYHKHQ-SECBINFHSA-N 322.390 1.952 0 40 DDAB O=C(COc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O 123510 HSYAGHIHFNRDNL-HNNXBMFYSA-N 315.325 1.583 0 40 DDAB O=C1C[C@H](n2nnn(-c3ccccc3)c2=S)[C@H]2CO[C@@H]1O2 1024844 CIFNYXJRKAYSPW-MVWJERBFSA-N 304.331 1.054 0 40 DDAB CS[C@H](C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 42855812 IVPOMTPNZKZGRH-OLZOCXBDSA-N 312.435 1.829 0 40 DDAB CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]1CC(=O)N(C)C1 95440581 IAPZSAXELOZTAZ-GFCCVEGCSA-N 324.808 1.876 0 40 DDAB Cc1csc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 24659311 LJFULMKILCJTHX-UHFFFAOYSA-N 315.406 1.455 0 40 DDAB O=C(Nc1nccs1)c1c(O)n2c3c(cccc3c1=O)CC2 1257935 KZVCIOBGQSPCQD-UHFFFAOYSA-N 313.338 1.972 0 40 DDAB CN(C)c1ccccc1NS(=O)(=O)c1cnc(Cl)n1C 79106597 WRCFSYKIUCFTPX-UHFFFAOYSA-N 314.798 1.940 0 40 DDAB CN1CCN(c2nc(N)c(Br)c(Cl)n2)CC1 1617170 JXTHAGZLFHEXKF-UHFFFAOYSA-N 306.595 1.227 0 40 DDAB O=C(CN1CC[C@H](c2ccccc2)C1)N[C@H]1CCCCNC1=O 106577088 XMIJAGVAOUHXCY-HOTGVXAUSA-N 315.417 1.261 0 40 DDAB NC(=O)C(=O)Nc1nc2ccc(Br)cc2s1 2593197 FNKYWRTZDMHKLW-UHFFFAOYSA-N 300.137 1.483 0 40 DDAB CC(C)(C)[C@@H](Cn1cccn1)NC(=S)NC[C@@H]1CCCO1 2770830 BQZPLNDTWPEGJJ-QWHCGFSZSA-N 310.467 1.941 0 40 DDAB O=S(=O)(NCCc1cccc(Cl)c1)N1CCOCC1 55414129 OYCDJWRKPDTQLA-UHFFFAOYSA-N 304.799 1.049 0 40 DDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3459841 GWTFHIWXWUQPIY-INIZCTEOSA-N 303.362 1.226 0 40 DDAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3OC)C[C@]23C=C[C@H]1O3 3903728 BIRNAPJPYSZWAB-UMPJEAMMSA-N 315.325 1.155 0 40 DDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc(Cl)cc1 4163824 YNGMLSKSWGCPPB-VOAKCMCISA-N 309.749 1.834 0 40 DDAB CC(=O)N[C@@H]1[C@@H](O)O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@@H]1O 4531085 DGWGXCQMDPSJJC-XDKXFUCDSA-N 305.374 1.153 0 40 DDAB COC(=O)[C@H]1CC(=O)NN(C(=O)Nc2ccc(Cl)cc2)C1 1400443 INXBAPQODZUHAV-QMMMGPOBSA-N 311.725 1.398 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C(=O)OC 7756096 UHJPPPAWCQSXON-GFCCVEGCSA-N 320.370 1.439 0 40 DDAB CCOc1ccccc1OCCC(=O)OCC(=O)NC(C)C 7980683 RJHIDBQKLLFQSZ-UHFFFAOYSA-N 309.362 1.922 0 40 DDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 1575977 RSSOZTMMMIWOJB-AAEUAGOBSA-N 320.345 1.377 0 40 DDAB in-vivo CN1CCN(CCNC(=O)c2csc(-c3ccco3)n2)CC1 44023534 AIGIKPOAADJAGS-UHFFFAOYSA-N 320.418 1.380 0 40 DDAB CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCN(C)C(=O)C1 44390123 OPBKZYZIBCEKFP-MRXNPFEDSA-N 317.433 1.445 0 40 DDAB Cn1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 12508249 BJUVOVILIOOIMH-UHFFFAOYSA-N 309.347 1.382 0 40 DDAB O=C(NCc1ccccn1)N1CCN(C[C@@H]2CCCO2)CC1 57769546 VVPXOMQFZFPXHW-HNNXBMFYSA-N 304.394 1.088 0 40 DDAB Cc1csc(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 27774848 VJUUQYLRKWPDCF-UHFFFAOYSA-N 320.418 1.948 0 40 DDAB C[C@H](NC(=O)Cn1c(-c2ccccn2)noc1=O)c1ccccc1 58295127 WHZWBAXHJGYKEX-LBPRGKRZSA-N 324.340 1.776 0 40 DDAB C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)n1cncn1 44908781 ZFGZALCCFSMVQT-NWDGAFQWSA-N 302.334 1.138 0 40 DDAB O=c1c2ccccc2nnn1Cc1cnn(-c2ccccc2)n1 58356220 UMNXBSYSDXAXJA-UHFFFAOYSA-N 304.313 1.421 0 40 DDAB c1ccc(CN2CCO[C@H](CNc3ccc4nncn4n3)C2)cc1 58312662 ADLCOTGWMJRUNH-OAHLLOKOSA-N 324.388 1.437 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(-c2ccccn2)noc1=O 58313673 FOTKCYGOEWAURC-TXEJJXNPSA-N 316.361 1.688 0 40 DDAB CC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 10862110 JDEBAARHRZMRAY-UHFFFAOYSA-N 305.739 1.245 0 40 DDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccccn1 28924296 QBZBREQXRDNUNT-MRXNPFEDSA-N 310.357 1.418 0 40 DDAB CCc1cc(CNS(=O)(=O)c2cc(Cl)cnc2N)on1 89282968 DPAARPIAHHJLNL-UHFFFAOYSA-N 316.770 1.346 0 40 DDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(C)(=O)=O)CC3 45810647 VKFFKCPJLNUHEB-UHFFFAOYSA-N 308.359 1.272 0 40 DDAB NC(=O)N1CCC[C@@H](C(=O)NCCCOCc2ccco2)C1 46043566 QCIBXJWCDNGFEE-GFCCVEGCSA-N 309.366 1.093 0 40 DDAB CN(C)C(=O)N1CCN(Cc2nc(-c3ccco3)no2)CC1 29926337 PAYVPIQHPOHBKB-UHFFFAOYSA-N 305.338 1.129 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)Nc3cccc(OC)c3)C[C@H]1O2 107817082 AZYQXHCCFGDSLM-BFHYXJOUSA-N 319.361 1.062 0 40 DDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C3C4[C@H]5C=C[C@H]4[C@H]([C@@H]15)[C@@H]32 104287300 AOHYTJBOCPQEPM-MCUCTDAOSA-N 305.337 1.204 0 40 DDAB O=C1CN(C(=O)COC(=O)c2ccncc2)c2ccccc2N1 3508951 OPZKQIAPGJGCGV-UHFFFAOYSA-N 311.297 1.224 0 40 DDAB Cc1c(C(=O)Nc2ccccc2O)cnn1-c1ccc(=O)[nH]n1 12997773 CQQGGQIGMCRXNH-UHFFFAOYSA-N 311.301 1.222 0 40 DDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 48943861 RDESFCGOYIUCMK-AAVRWANBSA-N 301.452 1.998 0 40 DDAB O=C(NCc1nccs1)NC1CCN(CC(F)(F)F)CC1 63356645 PWSJWHKKXHVPKV-UHFFFAOYSA-N 322.356 1.969 0 40 DDAB COc1ccc(OC)c(CN(C(=O)c2c[nH]c(=O)[nH]2)C2CC2)c1 65398765 PKTBHLQQEGTMNT-UHFFFAOYSA-N 317.345 1.525 0 40 DDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 9453762 RPFWYLJVNZVINS-YPMHNXCESA-N 303.362 1.064 0 40 DDAB CC(C)c1n[nH]c(SCC(=O)NC(=O)Cc2ccccc2)n1 14016841 CNDMUIGDNPGEAT-UHFFFAOYSA-N 318.402 1.906 0 40 DDAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@H]1CCCO1 14189916 SKWRXEPLMHNMBS-OAHLLOKOSA-N 302.374 1.651 0 40 DDAB COCCNC(=O)Nc1nnc(Cc2cccc(OC)c2)s1 71884026 QLDHKAMNZHYIEB-UHFFFAOYSA-N 322.390 1.905 0 40 DDAB CCN(CC)S(=O)(=O)CCNC(=O)N(C)Cc1ccco1 71883626 ISKJLASINRSLMM-UHFFFAOYSA-N 317.411 1.093 0 40 DDAB Cc1ccccc1CC(=O)N1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 71851713 KBWKQWGSZKYTHX-GDBMZVCRSA-N 316.401 1.386 0 40 DDAB S=C(NC[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19973458 NMABYTXIRVVZOL-MRXNPFEDSA-N 319.474 1.858 0 40 DDAB C[C@@H]1CN(CCN2CCCc3ccccc32)C[C@@H](C(N)=O)O1 90552347 ZZDAONUVKMEYDS-CJNGLKHVSA-N 303.406 1.014 0 40 DDAB Cn1nnnc1SC[C@H]1CC(c2c(F)cccc2F)=NO1 71916361 PCOYHLNNELSECX-SSDOTTSWSA-N 311.317 1.774 0 40 DDAB Cc1c(NS(=O)(=O)C(C)C)c(=O)n(-c2ccccc2)n1C 68740918 IJPKQFGGKKLMLB-UHFFFAOYSA-N 309.391 1.635 0 40 DDAB CCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408597224 UFSCDGGDXGKPPM-NSHDSACASA-N 314.407 1.278 0 40 DDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)nc1 69348694 GVTCBEBIRFCFCV-MFKMUULPSA-N 307.419 1.820 0 40 DDAB CCN(CC)S(=O)(=O)CCN[C@@H]1CCCc2c1cnn2C 95967780 UGANJJVWDMYTQL-CYBMUJFWSA-N 314.455 1.059 0 40 DDAB Cc1c(F)cccc1NCC(=O)N1CCC2(CC1)OCCO2 91550801 KEPLXAZQWAFLRD-UHFFFAOYSA-N 308.353 1.912 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 8472535 FYYJKXOKSPZWKA-KRWDZBQOSA-N 317.389 1.760 0 40 DDAB O=C(CCN[C@H]1CCc2ncnn2C1)N1CCc2ccccc21 69625495 OBSDHORJKZVAQG-AWEZNQCLSA-N 311.389 1.162 0 40 DDAB Cn1nnnc1SC[C@H](O)c1ccc(Br)cc1 69779397 GIDCOCBKDZVQDM-VIFPVBQESA-N 315.196 1.798 0 40 DDAB COC(=O)[C@@](C)(NC(=O)[C@@H]1CCOC1)c1cc(F)ccc1F 69702514 CZCGDLDEOGBOLI-PSLIRLAXSA-N 313.300 1.506 0 40 DDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nccs2)n1 18030011 VBYBGKLXGQSFJE-UHFFFAOYSA-N 310.404 1.910 0 40 DDAB CCONC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 8777140 NSIXMXVCHUVLIA-UHFFFAOYSA-N 318.420 1.217 0 40 DDAB Cc1[nH]ccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 88213085 DWWOVRCRHIWUEI-CQSZACIVSA-N 318.421 1.092 0 40 DDAB CONC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 8919858 BIYXRQAXTVVMJF-UHFFFAOYSA-N 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RIZLIXNQBDXGIK-UHFFFAOYSA-N 309.369 1.782 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(N2CCCC2)cc1 12542423 DDXMISOFLVHHDW-UHFFFAOYSA-N 318.406 1.541 0 40 DDAB COc1ccc(C(=O)NCC(=O)O[C@H]2CCCCC2=O)cc1 2626210 WMVMPQOOVMRGMW-AWEZNQCLSA-N 305.330 1.480 0 40 DDAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cnn(C)c1 20606703 WXQVLHMGISIKAG-JTQLQIEISA-N 320.378 1.195 0 40 DDAB CN1N=C(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CCC1=O 46626435 UBTRUJHTZBVEQB-CQSZACIVSA-N 317.364 1.967 0 40 DDAB CS(=O)(=O)c1ccccc1N1CCN(c2ccccn2)CC1 72990691 PWWOMIILSLMVBT-UHFFFAOYSA-N 317.414 1.812 0 40 DDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@](C)(O)c2ccco2)C1 95433234 OYPSKOROPGEWQM-BZPMIXESSA-N 316.423 1.299 0 40 DDAB Cc1nn(C(C)C)c2cnn(CCNC(=O)c3ccncc3)c12 57279716 HYOCKJRWXHEQHI-UHFFFAOYSA-N 312.377 1.947 0 40 DDAB Cc1noc(N)c1C(=O)OCC(=O)N(C)Cc1ccsc1 21731458 JDZMUUMDQXRBJL-UHFFFAOYSA-N 309.347 1.442 0 40 DDAB COC[C@@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 170594074 HCRRHLVZKXAKQL-SNVBAGLBSA-N 301.318 1.849 0 40 DDAB CCNC(=O)c1ccc2c(c1)nc1n2CCN(C(C)(C)CO)C1 23411505 BKMUMNNDVIHOSG-UHFFFAOYSA-N 316.405 1.373 0 40 DDAB CC[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccccc1 12910030 FXAAJADPYWKLTR-LLVKDONJSA-N 300.318 1.633 0 40 DDAB Cc1ccccc1CN(C)CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 13002453 LTCIQJOFENVZKJ-INIZCTEOSA-N 324.446 1.120 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13152702 GZSGYCLUCFHWPX-BBBLOLIVSA-N 305.359 1.421 0 40 DDAB CC(=O)Nc1ccc(C(=O)NCCCc2n[nH]c(C)n2)cc1 72306785 BXUWMDIBHMYWJM-UHFFFAOYSA-N 301.350 1.434 0 40 DDAB O=S1(=O)C[C@H]2NC(=S)N(Cc3ccc(Cl)cc3)[C@H]2C1 13624550 MSUJFYAJWJZDLK-MNOVXSKESA-N 316.835 1.196 0 40 DDAB C[C@@H](C(=O)N1CCCCCC1)n1nnc2ccccc2c1=O 5306087 FKMOOKSGQMENOZ-LBPRGKRZSA-N 300.362 1.755 0 40 DDAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(C(C)(C)C)n[nH]1 14109926 CMYIIBWKWNCVGG-QMMMGPOBSA-N 313.427 1.817 0 40 DDAB Cn1c(O)cc(C(=O)Nc2ccccc2Br)nc1=O 5626173 NLNOHZNNBOQDPY-UHFFFAOYSA-N 324.134 1.501 0 40 DDAB O=C([C@@H]1CCCCN1C(=O)C1CCCCC1)N1CCOCC1 66485917 QALRVXOAIWKXAO-HNNXBMFYSA-N 308.422 1.807 0 40 DDAB CN(C)C(=O)[C@H]1CN(C(=S)NC2CC2)c2ccccc2O1 15155314 JQFMSZHFZHDDHH-CYBMUJFWSA-N 305.403 1.379 0 40 DDAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 96297466 NAQIJCQLXXDZDG-SNVBAGLBSA-N 305.725 1.822 0 40 DDAB O=C(NC1CCOCC1)[C@@H]1CCCN1C(=O)Cc1ccccc1 67493514 WXLPJJSLMFEQDI-INIZCTEOSA-N 316.401 1.515 0 40 DDAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N(C)C)cc1 7141484 BVHLQZVAPLWVCQ-AWEZNQCLSA-N 303.362 1.801 0 40 DDAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccco1 9456608 QPBWCKNNGZZSEF-VIFPVBQESA-N 303.343 1.928 0 40 DDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1 7419173 QPMOBHWQLAGNGY-UHFFFAOYSA-N 315.358 1.886 0 40 DDAB C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)CN1CCOCC1 96499658 LKTKSGQLIQJHDJ-LBPRGKRZSA-N 312.360 1.734 0 40 DDAB COCCS(=O)(=O)N1CCC(Nc2cccc(C)c2)CC1 96421289 USNSDMRXSHKLIH-UHFFFAOYSA-N 312.435 1.848 0 40 DDAB NC(=O)Cn1cc(C(=O)N2CCCC3(CCCCCC3)C2)nn1 81304542 KVUOJBFLDKIPKP-UHFFFAOYSA-N 319.409 1.340 0 40 DDAB Cc1cc(S(=O)(=O)NCCNc2ncccn2)ccc1F 71914586 OKXCYGQLCLZRLW-UHFFFAOYSA-N 310.354 1.315 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)c1 69490022 BLIOTJHFCLQVQF-CABCVRRESA-N 306.410 1.076 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 69584542 HJAMJEPWUFJMBI-GGVZMXCHSA-N 311.179 1.748 0 40 DDAB COc1c(C)cnc(CN2CCN(C(=O)N(C)C)CC2)c1C 69529220 QKUDNUPHGWWVPV-UHFFFAOYSA-N 306.410 1.506 0 40 DDAB CC(C)(C)[C@H](O)CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 69627618 IIYYRLGDSLOROP-HZPDHXFCSA-N 319.449 1.238 0 40 DDAB O=C1NCc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc21 69628437 RCMSONRCGLEUEM-VXGBXAGGSA-N 300.314 1.536 0 40 DDAB NC(=O)CN1CCCN(C(=O)CCSc2ccccc2)CC1 69744893 GWJPFHRCYUAQKI-UHFFFAOYSA-N 321.446 1.188 0 40 DDAB Cc1ncc2c(n1)CN(CCS(=O)(=O)c1ccccc1)CC2 69740546 ASZRABJJMHVUHM-UHFFFAOYSA-N 317.414 1.617 0 40 DDAB Cn1c(CN[C@@H]2CCc3ncnn3C2)nc2cc(Cl)ccc21 69742468 FKZIIAROBIOAHK-LLVKDONJSA-N 316.796 1.923 0 40 DDAB COc1ccc(S(=O)(=O)N2CCN[C@H](C)C2)cc1Cl 88059407 GLUUJWWFWADJBZ-SECBINFHSA-N 304.799 1.331 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1CCN1C(=O)CNC1=O 88562537 TXQOOSTWSMBVBF-CQSZACIVSA-N 316.405 1.269 0 40 DDAB NCC1(NS(=O)(=O)c2cccc3cccnc23)CCCC1 95972629 OAOGOXFPACTSJW-UHFFFAOYSA-N 305.403 1.785 0 40 DDAB COC(=O)CCc1nnc(NS(=O)(=O)CCC2CC2)s1 95995778 JXQSQVDDPHVQCQ-UHFFFAOYSA-N 319.408 1.186 0 40 DDAB COC[C@H](NCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 95985907 JTVHYPGGOJPVSD-AWEZNQCLSA-N 314.332 1.101 0 40 DDAB CC(=O)NCCCS(=O)(=O)c1ccccc1Br 95977386 FMHPXAOMZHCQNJ-UHFFFAOYSA-N 320.208 1.749 0 40 DDAB CC(C)COCCC(=O)NCCn1c(=O)[nH]c2ccccc21 75105525 FUYLYUHKYJXPOT-UHFFFAOYSA-N 305.378 1.509 0 40 DDAB O=C(NCCCn1ccnc1)N1CC[C@H](Oc2ccncc2)C1 89884977 OJSCMJBCGRLWJE-HNNXBMFYSA-N 315.377 1.531 0 40 DDAB CC(=O)NCCc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1 89938496 QZNAFPIXQUKOFW-ZDUSSCGKSA-N 303.406 1.141 0 40 DDAB COc1cnc(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)nc1 1548430887 WIHKVCUWBLNDDM-LSDHHAIUSA-N 313.357 1.823 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1 22227513 WWWLLFGODCYFPT-UHFFFAOYSA-N 310.419 1.442 0 40 DDAB O=C(N[C@H](C1CC1)[C@H]1COCCO1)[C@@H]1CCCn2nccc21 1551782068 NZOOXDCERCKMIM-BPLDGKMQSA-N 305.378 1.071 0 40 DDAB Cc1noc(CNC(=O)CC2(Cn3cnnn3)CCCCC2)n1 524735102 VMHRIABNHCVUPA-UHFFFAOYSA-N 319.369 1.022 0 40 DDAB Cc1cccc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 79321078 YWPXSMPWPUQUOI-LBPRGKRZSA-N 316.327 1.826 0 40 DDAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218036182 IFEBLMVDUZKFJD-ULQDDVLXSA-N 317.410 1.564 0 40 DDAB CC1(C)CC[C@H](CN2CCCC[C@@H]2CCNS(C)(=O)=O)O1 184651538 ZVKREUTYFIGZSV-ZIAGYGMSSA-N 318.483 1.738 0 40 DDAB CCOC(=O)[C@@H](C)Nc1ccc(CCN2CCOCC2)cc1 79354909 UIXSVIHOOMUPEU-CQSZACIVSA-N 306.406 1.925 0 40 DDAB CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 72242215 QMJRRFOXNVIUDV-GOEBONIOSA-N 319.380 1.119 0 40 DDAB O=C1c2ccccc2C(=O)N1CC[C@H]1N=C2C=CC=CN2[C@H]1O 70503678 YDWFFOGAZHMTKE-DYVFJYSZSA-N 309.325 1.157 0 40 DDAB CCOC(=O)[C@]1(N)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217999150 PTPVZZCGAVKKQS-JQWIXIFHSA-N 303.767 1.147 0 40 DDAB COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccco2)cc1OC 72227065 FRSNDYLJWQTRKO-GJZGRUSLSA-N 302.330 1.708 0 40 DDAB Cc1ccc(OCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1 64373788 YTWDBBFMSLFOIX-CQSZACIVSA-N 317.389 1.390 0 40 DDAB O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1ccoc1 193430892 WIHSTGAMYNSPSO-UHFFFAOYSA-N 307.371 1.877 0 40 DDAB O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccncc3)C[C@H]12 96056245 XGSYXOSUOZCYFF-YESZJQIVSA-N 315.417 1.541 0 40 DDAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCC2CC2)CN(C)C(=O)C1 96113429 ZMQRVGXVGVQIJT-HZPDHXFCSA-N 323.481 1.872 0 40 DDAB biogenic,in-vitro COCCN1C(=O)CC[C@@H]2[C@@H]1CCN2C(=O)c1cccs1 96056504 VVCNVLNELNGOCQ-NEPJUHHUSA-N 308.403 1.600 0 40 DDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 97953816 JGMMNAZLISVLSJ-SOUVJXGZSA-N 324.446 1.490 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2N1C(C)C 96182644 DWSYJIUNOZTLKU-OAGGEKHMSA-N 302.422 1.111 0 40 DDAB O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475924 RFFUJZLIFIFHAJ-LLVKDONJSA-N 312.373 1.975 0 40 DDAB O=C(NCCCNc1ncc(Br)cn1)C1CCC1 96452685 XLDWSMAERNXFFJ-UHFFFAOYSA-N 313.199 1.957 0 40 DDAB CCOC[C@]12COC[C@H]1CN(C(=O)CCOc1ccccc1)C2 96108680 HVXSEWUJRUAQDQ-CRAIPNDOSA-N 319.401 1.967 0 40 DDAB Cc1ccc(CN2CCC3(CC2)C[C@@H]3CNS(C)(=O)=O)o1 96077329 SJOPVJSPKFXPPG-CYBMUJFWSA-N 312.435 1.739 0 40 DDAB CN1C[C@H](NS(=O)(=O)c2ccccc2C(C)(C)C)CCC1=O 96428136 QWPDWRJPGOODLN-GFCCVEGCSA-N 324.446 1.883 0 40 DDAB CC1CCN(C[C@H](O)CNC(=O)CSC(C)(C)C)CC1 96407866 DLZRZCNUFJHWCZ-CYBMUJFWSA-N 302.484 1.727 0 40 DDAB COc1ccccc1N1CCC[C@H](NC(=O)c2cnccn2)C1 96409312 PYQXPHQLUGCJIR-ZDUSSCGKSA-N 312.373 1.884 0 40 DDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccco2)n1 96120906 YMNMWUQZXBVFIG-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB Cc1cccn2cc(CCNS(=O)(=O)C3CCOCC3)nc12 96446660 VBPOVDMKKQDBEC-UHFFFAOYSA-N 323.418 1.284 0 40 DDAB CC(=O)N1CCCN(Cc2ccnc([C@H]3CCCO3)n2)CC1 257220081 DJLGRIFMERSEGX-OAHLLOKOSA-N 304.394 1.382 0 40 DDAB CC(C)(C(=O)N1CCC(c2cnccn2)CC1)n1cncn1 257290223 QCBQTOGYCGOJHV-UHFFFAOYSA-N 300.366 1.209 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257270245 MTHQBYJNZOJRBM-CQSZACIVSA-N 315.377 1.280 0 40 DDAB CCN(C)C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 376313557 HFQCAKADOBLMLN-UHFFFAOYSA-N 312.801 1.934 0 40 DDAB CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 27038524 UPMPOFDZCUCARM-VXGBXAGGSA-N 319.405 1.973 0 40 DDAB COC[C@]1(CC(=O)NCc2c(C)n[nH]c2C)CCCN1C(C)=O 585280221 CWLRXUINQKYKLO-MRXNPFEDSA-N 322.409 1.060 0 40 DDAB Cc1cccc(-c2nc(CN[C@H]3CCc4ncnn4C3)no2)c1 69600184 ONVRVVUDOVQWJR-ZDUSSCGKSA-N 310.361 1.741 0 40 DDAB CCN(CC)CCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 44595829 ITSBKYKYCZUXEK-AWEZNQCLSA-N 321.421 1.590 0 40 DDAB Nc1nc(Cl)cc(NCCOc2ccc3c(c2)OCO3)n1 52328959 GPAOZWMMRYYLBO-UHFFFAOYSA-N 308.725 1.932 0 40 DDAB CCOc1ncccc1C(=O)OCc1nc(-c2nc[nH]n2)no1 78999916 IYLFOCNVQASBLA-UHFFFAOYSA-N 316.277 1.005 0 40 DDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cc(C)n[nH]1)CC2 95410159 DWDOWZRZMLXYLD-KGLIPLIRSA-N 307.394 1.039 0 40 DDAB Cc1cnc(C(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)cn1 12145034 DLSNTLCARJYNAE-OAHLLOKOSA-N 324.388 1.984 0 40 DDAB COCCNC(=O)c1sc(=S)n(C[C@H]2CCCO2)c1N 13547220 YNCHHGJXFXYPCI-MRVPVSSYSA-N 317.436 1.416 0 40 DDAB Cc1ccc(C(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1-n1cnnn1 169680700 CQLOFQNDBXWBMH-UMVBOHGHSA-N 309.373 1.913 0 40 DDAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccn1)C2 100728551 SLCLCYUCXFIQBY-GJZGRUSLSA-N 312.417 1.935 0 40 DDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(C)c(F)c1 225633073 NDBFLQMJDIQWET-UKRRQHHQSA-N 323.364 1.856 0 40 DDAB CCN1C(=O)C(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O 18329350 COMFUBOXDDSNPE-UHFFFAOYSA-N 300.274 1.047 0 40 DDAB CC(C)NC(=O)CSc1ccccc1C(=O)O[C@@H](C)C(N)=O 12423320 WNKRHJVMHCJCAE-JTQLQIEISA-N 324.402 1.334 0 40 DDAB O=C([C@@H]1CN(c2ccnc(C3CC3)n2)CCO1)N1CCCCC1 1888834258 MUUGOUHALVNIBG-AWEZNQCLSA-N 316.405 1.572 0 40 DDAB Nc1nonc1-n1nnc(C(=O)O)c1-c1cccc2ccccc12 480390 QDBYDVBENWOGEX-UHFFFAOYSA-N 322.284 1.751 0 40 DDAB O=C(Nc1nnc(-c2ccno2)o1)c1ccc2c(c1)OCCO2 12234463 KCRJPQQYROVOAC-UHFFFAOYSA-N 314.257 1.748 0 40 DDAB CCOc1ccc(NC(=O)NCCCn2ncccc2=O)cc1 23241901 PKEKPENSHAEMFW-UHFFFAOYSA-N 316.361 1.854 0 40 DDAB Cc1ncnc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)c1C 2086889219 QULPVTHYPZSFGW-ZDUSSCGKSA-N 324.450 1.486 0 40 DDAB CCCc1cc(=O)n(CC(=O)N2CCc3ccccc3C2)cn1 38509583 FZAONQRQKIFQML-UHFFFAOYSA-N 311.385 1.781 0 40 DDAB O=C(NCCc1ccccc1)C(=O)NCc1ccc(F)cc1F 38717596 OOVUBLJFGWVBFO-UHFFFAOYSA-N 318.323 1.940 0 40 DDAB O=C(c1nc(-c2cnccn2)no1)N1CCc2ccccc2C1 44121643 FCLLOMBSBNUYEX-UHFFFAOYSA-N 307.313 1.725 0 40 DDAB CC(C)(C)C(=O)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19082180 ZVROEBDKFZLZOM-GFCCVEGCSA-N 315.421 1.671 0 40 DDAB O=C1NCCN(Cc2noc(C3CC3)n2)[C@H]1c1cccs1 72800018 IYAQTULBXHYWFA-LBPRGKRZSA-N 304.375 1.682 0 40 DDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCOCC1 20445202 XGRKNJHUKNDQCD-LBPRGKRZSA-N 303.362 1.083 0 40 DDAB O=C(NCc1ccc(N2CCCCC2)nc1)c1ccc(O)nn1 40539482 MVJRUNOCEAOOHP-UHFFFAOYSA-N 313.361 1.498 0 40 DDAB COc1ccc(N2C[C@H](C(=O)Nc3cn[nH]c3)CC2=O)cc1 40512219 SYBJITVTIDDSDX-SNVBAGLBSA-N 300.318 1.410 0 40 DDAB NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 21222539 PKCAPOJLANMIKI-UHFFFAOYSA-N 311.297 1.369 0 40 DDAB O=C(NCCN1CCCCCC1=O)c1ccc2[nH]cnc2c1 32742295 YIWUOOONVILBDU-UHFFFAOYSA-N 300.362 1.695 0 40 DDAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)NCc1ccco1 22543729 NHKXTLVNXXWAPT-JTQLQIEISA-N 308.363 1.658 0 40 DDAB O=C(NCCCC(=O)N1CCc2ccccc21)[C@@H]1CCCO1 78639208 WPLBDGCDSYFTDO-HNNXBMFYSA-N 302.374 1.651 0 40 DDAB O=C(CCCOc1ccccc1F)N1CCN(CCO)CC1 78648394 MVNQJRSFMXLZAX-UHFFFAOYSA-N 310.369 1.121 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C[C@@H](O)c3ccccc3)C2)n[nH]1 78900570 YHCPUDKUGNADAZ-XJKSGUPXSA-N 314.389 1.422 0 40 DDAB Cn1ncc(I)c1C(=O)Nc1ccon1 2767870 ZURSCNLSQUXDDY-UHFFFAOYSA-N 318.074 1.265 0 40 DDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(C)C)C2=O)cc1 3461117 SLPJOZALLHYONJ-INIZCTEOSA-N 303.362 1.287 0 40 DDAB Cc1cccc(C)c1NC(=O)N1[C@@H](C(=O)O)CS[C@@H]1C(=O)O 4106715 QAKGSPPUDHAFJM-MWLCHTKSSA-N 324.358 1.748 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(Br)c[nH]1 43508522 GMLNXZFDHIHULJ-JTQLQIEISA-N 319.180 1.467 0 40 DDAB Cc1cc(CN2CCN(CC(=O)Nc3cc(C)no3)CC2)on1 25437324 DIXNAPZLVHONSR-UHFFFAOYSA-N 319.365 1.036 0 40 DDAB C[C@@H](Sc1nnc(-c2ccc(C(N)=S)cc2)o1)C(N)=O 4968324 QGOCHFAZBWEOCV-ZCFIWIBFSA-N 308.388 1.337 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 6175227 XQOYWKOCHOSTPV-ZDUSSCGKSA-N 318.398 1.670 0 40 DDAB CCCS(=O)(=O)CC(=O)Nc1cccnc1-n1ccnc1C 57223833 SKVMKYMAGPTBBF-UHFFFAOYSA-N 322.390 1.339 0 40 DDAB O=C(CNc1ccccc1OCC(F)F)N1CCOCC1 84506933 CFEUQZYMEFAVOO-UHFFFAOYSA-N 300.305 1.601 0 40 DDAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1C1CC1 8249138 CYVTYDSTIAOGKU-NSHDSACASA-N 310.423 1.563 0 40 DDAB Cn1c(CN2CCC[C@@H]2Cc2ccccc2)cc(=O)n(C)c1=O 44896517 GXJSTGIJXJJSCB-OAHLLOKOSA-N 313.401 1.291 0 40 DDAB CC(=O)c1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)n(C)c1 58289321 XUYOHGSQAWDXBF-UHFFFAOYSA-N 310.317 1.660 0 40 DDAB COc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](C)C2)c(O)c1 58228547 NLCMIDDGOWXMJZ-GFCCVEGCSA-N 320.389 1.779 0 40 DDAB CN(CCN1CCCC1=O)C(=O)NCc1ccc2c(c1)OCO2 95396775 VHULIKZYPAFMKO-UHFFFAOYSA-N 319.361 1.179 0 40 DDAB CCc1nc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1 58378354 JXCDXPRVTLNGOX-ZDUSSCGKSA-N 317.414 1.461 0 40 DDAB COC1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 45141245 BEMXHSBKOKVVFB-CYBMUJFWSA-N 304.394 1.330 0 40 DDAB C[C@H](CNC(=O)NCCc1nnc2n1CCCCC2)C1CC1 95369571 AMIGTOJMVDTBIQ-GFCCVEGCSA-N 305.426 1.892 0 40 DDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnc2ccccc2n1 84603891 IUTZKECAVVWQPS-CHWSQXEVSA-N 312.373 1.223 0 40 DDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cccc(Cl)c1 46094694 AOBSNGLGUGYTFY-VIFPVBQESA-N 301.795 1.922 0 40 DDAB CCN(CC(C)(C)O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 95410894 ONWSJLPQXFJENE-ZDUSSCGKSA-N 323.441 1.191 0 40 DDAB Cc1ccn(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)n1 46739098 ZAICVEGMVDKVNQ-AWEZNQCLSA-N 312.373 1.518 0 40 DDAB Cn1ncc(Cl)c1C(=O)NCCCn1cc(Cl)cn1 2778352 PURUOWPJNIDRBW-UHFFFAOYSA-N 302.165 1.744 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ncccn2)nc1C 47210943 PUTRBJSUPWUZJM-UHFFFAOYSA-N 320.374 1.590 0 40 DDAB CCN1CCN(CC(=O)N[C@@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)CC1 100467052 LOIHYFUROLKSQC-MPGHIAIKSA-N 307.482 1.955 0 40 DDAB COC(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(C)c21 12396361 SJESSEVLRQJVPQ-UHFFFAOYSA-N 303.240 1.235 0 40 DDAB COc1ccccc1[C@H](CNC(=O)NCc1cc[nH]n1)N(C)C 48231622 VJZSURPQXWIWEX-AWEZNQCLSA-N 317.393 1.520 0 40 DDAB CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 12751635 KWUIBRLUXBEEHO-MWLCHTKSSA-N 320.345 1.284 0 40 DDAB O=C(CN1C(=O)CCC1=O)Nc1ccccc1Br 3352317 SWNFUSRLCDBLKI-UHFFFAOYSA-N 311.135 1.537 0 40 DDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 12805784 NMEJNHHBJTXJRG-OLZOCXBDSA-N 324.402 1.050 0 40 DDAB COC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 12863217 WRUQWQMRRKHIEC-MRVPVSSYSA-N 324.362 1.067 0 40 DDAB CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22521713 RSKTXPCRIDWQMG-UHFFFAOYSA-N 310.419 1.752 0 40 DDAB CCCNC(=O)[C@@H](C)N1CCc2c(sc3ncnc(N)c23)C1 95977258 PAXKISKXMYXFJU-SECBINFHSA-N 319.434 1.546 0 40 DDAB CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1 96008969 XSRAIVGXBXZPHK-LBPRGKRZSA-N 301.339 1.194 0 40 DDAB CC(C)(CNC(=O)C(=O)c1ccc(C(C)(C)C)cc1)C(N)=O 64291922 BQGUIBMMTXVZMP-UHFFFAOYSA-N 304.390 1.795 0 40 DDAB CC(C)(C)NC(=O)N1CCC(NC(=O)Cc2cccnc2)CC1 95457337 JKDGUDRLAFMZBU-UHFFFAOYSA-N 318.421 1.713 0 40 DDAB CN(CC(F)(F)F)C(=O)CNC(=O)N1CC[C@H]2CCCC[C@H]21 74567436 OJXFYWWOCZANPJ-GHMZBOCLSA-N 321.343 1.981 0 40 DDAB CN(C)C(=O)CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 13720463 YJNWKMYCUAUBBO-UHFFFAOYSA-N 324.812 1.578 0 40 DDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)CSC1=O 4388945 DDDRXSXZTABFRN-UHFFFAOYSA-N 314.750 1.983 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 65390693 RYBLGMUICVZRRJ-NSHDSACASA-N 324.402 1.147 0 40 DDAB CC(C)NC1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 65479289 DNMUMMMCMJXVCF-UHFFFAOYSA-N 321.440 1.947 0 40 DDAB O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccc2ncsc2c1 65409772 LYHGBWGTEMSCQF-MNOVXSKESA-N 301.371 1.789 0 40 DDAB O=S1(=O)C[C@@H](N2CCCC3(CCCCCC3)C2)[C@@H](O)C1 95404898 QDIYIPLGOZMUCA-KGLIPLIRSA-N 301.452 1.581 0 40 DDAB O=C(CN1CCCCC1)NC(=O)Nc1ccc2c(c1)OCCO2 9390222 AWHJCIXWGGBXII-UHFFFAOYSA-N 319.361 1.592 0 40 DDAB S=C(NCc1ccco1)NNC(=S)N[C@H]1C=CCCC1 6528151 NHZLWNSLRDNUTL-JTQLQIEISA-N 310.448 1.732 0 40 DDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H](O)C1 66342743 XJDJFVIFFAJNDW-BBRMVZONSA-N 321.396 1.818 0 40 DDAB O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 5996079 BPVUFGBMXKHRQH-LLVKDONJSA-N 300.717 1.254 0 40 DDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)CCC2 7215712 BIVSFDASSYGJEX-UHFFFAOYSA-N 324.446 1.711 0 40 DDAB CS(=O)(=O)CCn1ccc(NC(=O)CCC2CCCC2)n1 96420426 GYLBFXKMBMFYNS-UHFFFAOYSA-N 313.423 1.837 0 40 DDAB C[C@@H](OC(=O)c1cc2ccccc2s1)C(=O)N1CCNC1=O 7841483 PIRCKHCAYZFKEJ-SECBINFHSA-N 318.354 1.998 0 40 DDAB C[C@@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 68854045 YOJBAFPKWAQCJB-SECBINFHSA-N 302.421 1.658 0 40 DDAB Cn1c(=O)n(-c2ccccc2)c(=O)c2cnn(-c3ccccc3)c21 20799786 JAFOXYPLGKDOAC-UHFFFAOYSA-N 318.336 1.875 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)c1 70004406 ZZHVXZIMXNKJKF-AWEZNQCLSA-N 314.389 1.503 0 40 DDAB COc1c(F)cc(NC(=O)NCCN2CCOCC2)cc1F 71997817 ANRSBWFXNHPMQO-UHFFFAOYSA-N 315.320 1.427 0 40 DDAB c1ccc(NC[C@H]2CO[C@@H]3CN(CC4CCOCC4)C[C@H]23)nc1 306141563 WAOWGEWUVMMTRU-GVDBMIGSSA-N 317.433 1.867 0 40 DDAB O=C(CN1CCc2cncnc2C1)N1CCO[C@H]2CCCC[C@@H]21 69493357 LCPKQMHMANERQF-HOTGVXAUSA-N 316.405 1.005 0 40 DDAB Cc1nc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)no1 69433461 UGJYBVUQHPEDPG-JTQLQIEISA-N 318.381 1.517 0 40 DDAB COc1cccnc1NC(=O)Cn1nnc(-c2ccccc2)n1 69537778 YEZBHKJGXCVKET-UHFFFAOYSA-N 310.317 1.382 0 40 DDAB C[C@@H](NC(=O)N1CCC[C@@H](O)C1)C(=O)N1CCc2ccccc21 69742290 UJJJMENKLREVFC-TZMCWYRMSA-N 317.389 1.131 0 40 DDAB COc1cccc2sc(NC(=O)C3=NN(C)C(=O)CC3)nc12 8704473 CXEGIMKPRODCIQ-UHFFFAOYSA-N 318.358 1.852 0 40 DDAB Nc1ncc(C(=O)N2CCC[C@H](N)CC2)c(-c2ccccc2)n1 72161175 YRSFNEPECLRHSC-ZDUSSCGKSA-N 311.389 1.679 0 40 DDAB Cc1ccc(CNC(=O)CCS(=O)(=O)N(C)C)cc1F 97032151 SJMBCHWEJUEIDT-UHFFFAOYSA-N 302.371 1.032 0 40 DDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](c3ccnn3C)C2)no1 72270564 BFLFTEMNXXGBBK-OLZOCXBDSA-N 317.393 1.923 0 40 DDAB Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1 95960555 MUIVIHXZXVPNHW-JTQLQIEISA-N 315.320 1.761 0 40 DDAB CC[C@@H]1CN(CCOc2cccc(F)c2)CCN1C[C@@H](C)O 72279769 NAMCTFSJKVFXLY-GDBMZVCRSA-N 310.413 1.982 0 40 DDAB NS(=O)(=O)c1ccc(-c2nc(-c3ccccn3)no2)cc1F 97166246 GTGYQSGNLUBLFL-UHFFFAOYSA-N 320.305 1.585 0 40 DDAB O=C1C[C@@H](COC(=O)c2c[nH]nc2-c2ccccc2F)CN1 97147603 AEORBMCWAMRNOG-SECBINFHSA-N 303.293 1.509 0 40 DDAB CN(Cc1ccsc1)C(=O)CN1CCc2c(ncn2C)C1 84331819 QUBHVZNUKFKKKN-UHFFFAOYSA-N 304.419 1.498 0 40 DDAB Cn1c(CN2CCc3c(nc(C4CC4)n3C)C2)nnc1C1CC1 84310951 CHCLUQKETOKIIN-UHFFFAOYSA-N 312.421 1.862 0 40 DDAB COc1ccc([C@H](CNS(N)(=O)=O)N2CCCCC2)cc1 89438851 LMSZOYYVVPHVBN-AWEZNQCLSA-N 313.423 1.015 0 40 DDAB COC[C@@](C)(CCO)NCc1cc(OC)cc2c1O[C@@H](C)C2 89941403 RJZFSLJPIAFUIB-YVEFUNNKSA-N 309.406 1.896 0 40 DDAB CCO[C@@H]1C[C@H](NC(=O)c2cn3cccnc3n2)C12CCC2 89985940 PWUJIBVNEOTORY-QWHCGFSZSA-N 300.362 1.807 0 40 DDAB O=C1COc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2N1 21887261 ZKBOEGWPHISRJU-UHFFFAOYSA-N 312.281 1.999 0 40 DDAB CCN1CCN(CC(=O)N[C@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)CC1 22587080 LOIHYFUROLKSQC-HDMKZQKVSA-N 307.482 1.955 0 40 DDAB COc1ccc(C(=S)NCCN2CCOCC2)cc1OC 408574251 LHNRMPOKFUQEDX-UHFFFAOYSA-N 310.419 1.301 0 40 DDAB CCC(C)(C)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 128025079 YDOHGZLFFBWPJW-UHFFFAOYSA-N 312.435 1.753 0 40 DDAB Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)ncn1 548022913 NYWMYQIMHZHCLL-KBPBESRZSA-N 318.400 1.567 0 40 DDAB COc1ccc(/C=C/C(=O)NC2CCN(C)CC2)cc1OC 78472887 JUDNYDZXGKRFRZ-FNORWQNLSA-N 304.390 1.927 0 40 DDAB Cc1cc(C)c(OCC(=O)N(C)C[C@@H](C)c2nnn[nH]2)c(C)c1 187306294 DHQUSVCYJYYHKO-CYBMUJFWSA-N 317.393 1.766 0 40 DDAB CCN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 35391998 PVEPGKZITUZMEX-UHFFFAOYSA-N 305.403 1.561 0 40 DDAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)O)CC3)nn2)n1 70635281 JWNMIQUYXZRYFH-UHFFFAOYSA-N 301.350 1.580 0 40 DDAB O=C(O)c1c[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O 78401845 XAGORVUGHVAECZ-UHFFFAOYSA-N 300.192 1.243 0 40 DDAB NCC(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79392816 UKBGMEYXUTXDNN-AWEZNQCLSA-N 305.378 1.253 0 40 DDAB CN(CC(=O)Nc1nccs1)Cc1ccc2c(c1)OCO2 44889326 QFAXBJOJKGMYBX-UHFFFAOYSA-N 305.359 1.942 0 40 DDAB CC(=O)N1CC[C@@H]1c1cc(NCCn2nccc2C)nc(C)n1 72387644 VPCKYIUKQNUIMB-OAHLLOKOSA-N 314.393 1.695 0 40 DDAB CC(=O)c1c(F)cccc1N(C)C[C@H](O)CN1CCN(C)CC1 195575278 LUWDAUUDDDHAIQ-AWEZNQCLSA-N 323.412 1.073 0 40 DDAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223623665 FPTGANHHDYKKJK-CABCVRRESA-N 316.430 1.775 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@]23CCOC3)c1F 195482763 FJJOIEOZSMMYNR-AWEZNQCLSA-N 315.366 1.314 0 40 DDAB O=C(c1ccc(Cl)s1)N1CC(N2C(=O)COC2=O)C1 225695834 OYFKHWINWHUSNE-UHFFFAOYSA-N 300.723 1.205 0 40 DDAB O=C(NCC1(c2ccccn2)CCC1)N[C@H]1CC[S@@](=O)C1 571830613 BSFMJEMLQPLNTK-LAJNKCICSA-N 307.419 1.324 0 40 DDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCC(C)(C)C 225876567 BVDPFKSZMXZVSC-UHFFFAOYSA-N 305.425 1.599 0 40 DDAB O=C(NCc1ccc(Br)cc1F)[C@@]1(F)CCNC1 195543208 MOZDXMKDVZKWQX-GFCCVEGCSA-N 319.149 1.906 0 40 DDAB CC(C)Nc1ncc(C2=NO[C@H](C(=O)N3CCCCC3)C2)cn1 226080810 CVQRTWXWNNSQSK-AWEZNQCLSA-N 317.393 1.802 0 40 DDAB COCC[C@@H](CO)NC(=O)NCc1cc(Cl)ccc1C 225584461 FBAYUYWRYVCCPR-ZDUSSCGKSA-N 300.786 1.845 0 40 DDAB CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1OC(C)=O 43771655 DPLPHOLDKAGPOZ-SQWLQELKSA-N 322.313 1.453 0 40 DDAB C[C@]1(F)CNCCN(C(=O)NCc2cn3ccccc3n2)C1 574297147 KADCEGGIHDGSFD-HNNXBMFYSA-N 305.357 1.177 0 40 DDAB CCOC(=O)C1=C(CN(C)c2ccccc2OC)NC(=O)NC1 48340587 QBIQOHAXYUJIJV-UHFFFAOYSA-N 319.361 1.261 0 40 DDAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc1OC 225209463 JDCQMNBIXRBROC-JTQLQIEISA-N 314.407 1.378 0 40 DDAB Cc1c(CCNC(=O)NCC(C)(C)[C@@H](O)C(C)C)cnn1C 96484215 ATCTYFPDPBTRFT-AWEZNQCLSA-N 310.442 1.613 0 40 DDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CNC(=O)C(C)(C)C 95448297 XAXUDLUQGQKOOC-GFCCVEGCSA-N 306.410 1.852 0 40 DDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)CC3CC3)C1)COC2 96244039 BRZDYJZQZFBENM-KRWDZBQOSA-N 316.405 1.343 0 40 DDAB CSc1ccc([C@@H](O)CNC(=O)c2cccn(C)c2=O)cc1 96103042 WHTCYTFOIUUGHO-AWEZNQCLSA-N 318.398 1.571 0 40 DDAB c1coc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)c1 96056246 MBJZMUCSZJRUFO-BHYGNILZSA-N 306.406 1.449 0 40 DDAB Cc1nnc([C@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)[nH]1 96046223 VXILHIAPTDGZRY-IACUBPJLSA-N 303.366 1.762 0 40 DDAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC(C)C 96113035 KPDKZVANSUARIN-LSDHHAIUSA-N 321.396 1.602 0 40 DDAB biogenic,in-vitro Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)N2CCOCC2)o1 96184712 NTVOFFMLPAMNAD-JKSUJKDBSA-N 319.405 1.689 0 40 DDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cn2cncn2)C1 96409335 RXWZQZDHXASRQY-CQSZACIVSA-N 317.368 1.511 0 40 DDAB COc1ccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)cc1 257290989 QFDHCRMBONWLDC-INIZCTEOSA-N 315.373 1.512 0 40 DDAB O=C(CC1CCCC1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257306686 SVJCGKCMEKGVFD-HNNXBMFYSA-N 319.405 1.923 0 40 DDAB O=C(c1ccc2[nH]cnc2c1)N1CCO[C@H](c2cnccn2)C1 257276409 NTOYWIXXGVNEAV-HNNXBMFYSA-N 309.329 1.567 0 40 DDAB Cc1ncc(CNC(=O)c2nccn2C)c([C@@H]2CCCN2C)n1 257295697 QZMMZCBEAXGPFP-ZDUSSCGKSA-N 314.393 1.215 0 40 DDAB CC(=O)N1CCN(C(=O)c2cnccn2)[C@H](c2ccccc2)C1 257220367 DKNXPFOGONDHOX-INIZCTEOSA-N 310.357 1.522 0 40 DDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1ccccn1 257258116 KSLLERDWUFYVLK-QGZVFWFLSA-N 311.389 1.451 0 40 DDAB Cc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257296787 REKJGICJZDLSLE-STQMWFEESA-N 304.350 1.326 0 40 DDAB Cc1ocnc1C(=O)NCc1cccc(N2CCOCC2)n1 274819134 QBFSGLBFEUIHHH-UHFFFAOYSA-N 302.334 1.145 0 40 DDAB O=C(Cn1nc(C2CC2)ccc1=O)N1CCc2sccc2C1 573169724 QUDLBPQRZSMWST-UHFFFAOYSA-N 315.398 1.767 0 40 DDAB Cn1cc(C(=O)NC[C@@H](c2cccs2)n2cccn2)nn1 575604721 DTCQQTJRHSRNTO-NSHDSACASA-N 302.363 1.093 0 40 DDAB CN(C)Cc1[nH]nc2c1CCN(C(=O)c1ccnc(F)c1)C2 585110541 ONDXSCHJXRZGMN-UHFFFAOYSA-N 303.341 1.204 0 40 DDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)C2CCNCC2)cc1 585278400 SGCLXASNEFVLMM-ROUUACIJSA-N 316.445 1.889 0 40 DDAB OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccc(F)cn1 585291835 DXAZOYWVTWJMIJ-BRWVUGGUSA-N 302.349 1.542 0 40 DDAB COc1nccnc1N(C)CC1CCN(Cc2ncon2)CC1 1776009733 OWQAYOKOQKBEGN-UHFFFAOYSA-N 318.381 1.217 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1sccc1-n1cccc1 48262767 DBESXCPPJOJQAX-ZDUSSCGKSA-N 319.430 1.989 0 40 DDAB C[C@H](Sc1nncs1)C(=O)NCc1ccnc(N(C)C)c1 52690615 RSQCAGVFBWGXKR-VIFPVBQESA-N 323.447 1.796 0 40 DDAB CCCC(=O)N1CCCN(C(=O)Nc2cc(C)nn2C)CC1 52797638 XREQYUWPYBFMPU-UHFFFAOYSA-N 307.398 1.595 0 40 DDAB COc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)c(O)c1 40480237 NXONWOKESIZVLW-UHFFFAOYSA-N 318.295 1.721 0 40 DDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H]1CCCO1 40497414 TVGUQEZAAXSQOF-CYBMUJFWSA-N 304.346 1.245 0 40 DDAB CC(=O)c1ccc(OCC(=O)NC2(C(=O)O)CCCC2)cc1 78307636 CIUJKDTYQYSFEU-UHFFFAOYSA-N 305.330 1.782 0 40 DDAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)NS(=O)(=O)N1CCCC1 89702015 OXYYBCMERDWXSL-GHMZBOCLSA-N 314.432 1.617 0 40 DDAB O=C(O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 100082912 ISABKYQVAFBZOM-NGERZBJRSA-N 301.298 1.846 0 40 DDAB COCCN1CC2=C(C1=O)[C@H](c1ccccc1C)NC(=O)N2 12346003 AQFBEMCUFSGVSA-AWEZNQCLSA-N 301.346 1.092 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 13249187 MECMQLWVVHXMPU-STQMWFEESA-N 302.330 1.652 0 40 DDAB Cc1n[nH]cc1C(=O)N1CC[C@H]1c1nc(-c2cccnc2)no1 19582307 BPRSQSDDWMANGL-LBPRGKRZSA-N 310.317 1.750 0 40 DDAB Cc1ccnc(N2CCN(c3ncnc4cnccc34)CC2)n1 1889139122 ZAWBTDAHHWYASK-UHFFFAOYSA-N 307.361 1.450 0 40 DDAB CNC(=O)NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 24664297 SONMJHLHOJUCPC-NSHDSACASA-N 316.361 1.463 0 40 DDAB COC(=O)[C@@H](NC(=O)COc1ccc(F)cc1F)C(C)C 24910902 NOIXEHXAKXPWRL-ZDUSSCGKSA-N 301.289 1.657 0 40 DDAB CNc1nnc(SCC(=O)Nc2nnc(C(C)C)o2)s1 32832024 RJMMUYQJMBWMME-UHFFFAOYSA-N 314.396 1.817 0 40 DDAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(CC(=O)NC(C)(C)C)C1 2087059439 QIOBBRDXIOCXPS-CYBMUJFWSA-N 311.470 1.870 0 40 DDAB O=C(NCc1nnnn1-c1cccc(F)c1)C1CCCCC1 10593251 YHICUJYNDDCTJN-UHFFFAOYSA-N 303.341 1.998 0 40 DDAB CC(C)NC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713348 DAXIVQMCGOKOJO-LBPRGKRZSA-N 304.394 1.206 0 40 DDAB O=C(c1cc[nH]n1)N1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 2055844898 OLSWYQVPRAICFC-KRWDZBQOSA-N 316.405 1.807 0 40 DDAB O=C(Cc1cccnc1)N1CCC(N2C(=O)CSC2=O)CC1 206983194 FNSUDYVGFVBISF-UHFFFAOYSA-N 319.386 1.311 0 40 DDAB O=C1N[C@@]2(COC3(CCNCC3)C2)Nc2ccc(Cl)cc21 12336937 JPJWPZZBEMQMPQ-HNNXBMFYSA-N 307.781 1.734 0 40 DDAB C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N1CCc2sccc2C1 32817171 JCWCMZDCIHBHFD-NSHDSACASA-N 317.414 1.613 0 40 DDAB Cc1cnc(C(=O)NCc2ccccc2NS(C)(=O)=O)cn1 32930705 OHAOPAQPMVLCEP-UHFFFAOYSA-N 320.374 1.087 0 40 DDAB COCCN(CCOC)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 21998965 SYCNQPJPYNRCSC-ZDUSSCGKSA-N 324.352 1.373 0 40 DDAB CC(=O)N1CCN(CCC(=O)N[C@@H](C)c2ccccc2)CC1 22197698 CPVFIWXZQFKYRO-AWEZNQCLSA-N 303.406 1.418 0 40 DDAB COCCN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 23640735 ZUNCYXKAFGDDBX-UHFFFAOYSA-N 312.435 1.256 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1cccs1 42872782 OVCVPGNKLZWDIA-MNOVXSKESA-N 314.432 1.782 0 40 DDAB C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1nncn1C 43137690 QMIFQGNQUFPJLB-WDEREUQCSA-N 306.370 1.071 0 40 DDAB CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C)ccc1=O 77737046 XGVHAXHVMQHVAS-STQMWFEESA-N 319.405 1.749 0 40 DDAB C[C@H]1Cc2cc(S(=O)(=O)N(C)Cc3cnn(C)c3)ccc2O1 106226631 ZROILFXADLUKEO-NSHDSACASA-N 321.402 1.564 0 40 DDAB CCCC1(C(=O)N2CCN(CCC(=O)NC3CC3)CC2)CCC1 79104555 GSDVZPVVVLHFLX-UHFFFAOYSA-N 321.465 1.770 0 40 DDAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1C 79481869 WMLGHZAQYJPQCP-JTQLQIEISA-N 306.318 1.833 0 40 DDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cc(C)nc2ncnn12 106788614 ZYLKNHVUUZONNY-KGLIPLIRSA-N 314.393 1.412 0 40 DDAB C[C@H]1CN(C(=O)CSc2nnc3ccccn23)C[C@@H](C)O1 12598766 AYZIDNSYKICZTD-PHIMTYICSA-N 306.391 1.457 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnnn1C1CCCCC1 12596478 GNAWKJRXNUSDDT-MRVPVSSYSA-N 312.399 1.115 0 40 DDAB O=C(Cn1cnnn1)N1CCC[C@H]1Cc1ccccc1Cl 56988688 HKGDQQCABJEOQW-LBPRGKRZSA-N 305.769 1.560 0 40 DDAB CCOCCCNC(=O)Nc1ccccc1S(C)(=O)=O 43929454 QHXKAUYOSGIYRZ-UHFFFAOYSA-N 300.380 1.638 0 40 DDAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)n1N 7779281 JSFSTHILZIEIIN-QMMMGPOBSA-N 309.370 1.409 0 40 DDAB Cc1c(C(=O)N2CCc3[nH]ncc3C2)c(=O)[nH]c2ccccc12 75104149 BHOPBDFVRIDIGF-UHFFFAOYSA-N 308.341 1.758 0 40 DDAB COC(=O)[C@@]12CCC[C@@H]1CN(Cc1c(C)nn(C)c1OC)C2 108496681 UJTLNXDICKDJQN-MLGOLLRUSA-N 307.394 1.512 0 40 DDAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2S(C)(=O)=O)c1 100112442 SBAAUBGVNGZMFD-HUBLWGQQSA-N 311.403 1.887 0 40 DDAB COC1=N[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 101043203 XWNXJJMUULZBPK-MBIARJLFSA-N 308.337 1.651 0 40 DDAB COC(=O)[C@@H](Cn1cnc2ccccc21)[C@H](O)c1ccncc1 12537016 FCPHRZKTXCJTOR-XJKSGUPXSA-N 311.341 1.954 0 40 DDAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(C2CC2)n[nH]1 58158110 DAZWXEKTEZBNFS-UHFFFAOYSA-N 324.340 1.912 0 40 DDAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102303459 DIEFOYIXBBLDHW-XQLPTFJDSA-N 301.342 1.992 0 40 DDAB CN(C)C(=O)CCNC(=O)c1ccc(Br)cc1O 45010670 DRDPGHWOSDNMSQ-UHFFFAOYSA-N 315.167 1.363 0 40 DDAB O=S(=O)(Cc1cccc(Cl)c1)C[C@H](O)Cn1cccn1 58439393 XUFAMOYVHACDKB-CYBMUJFWSA-N 314.794 1.512 0 40 DDAB CCN(C(=O)COC(=O)c1nccnc1N)C1CCCCC1 58157194 VIEORKCITIZKQP-UHFFFAOYSA-N 306.366 1.397 0 40 DDAB O=C(O)[C@H]1CCCN(c2cc(N3CCSCC3)ncn2)C1 45948044 PZNCIROBHNSRPL-NSHDSACASA-N 308.407 1.331 0 40 DDAB C[C@@H](NC(N)=O)C(=O)NCc1cc(Br)ccc1F 46579735 ZYWDBSKSDSTHJN-ZCFIWIBFSA-N 318.146 1.261 0 40 DDAB COc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1OC 48263652 QRQYWFSNLIHHDB-JTQLQIEISA-N 316.361 1.733 0 40 DDAB CCN(C[C@H]1CCOC1)C(=O)NC[C@@H](c1ccco1)N(C)C 48237278 MASGNCFVJZBYJK-KGLIPLIRSA-N 309.410 1.950 0 40 DDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CCCCC1)C2=O 3563747 JQXNPSCJRVCOHV-SJCJKPOMSA-N 321.421 1.936 0 40 DDAB COc1ccc(-c2nc(CN3CCCS3(=O)=O)no2)cc1 67098090 WTABJELPIRPTCU-UHFFFAOYSA-N 309.347 1.281 0 40 DDAB CSc1nsc(SCC(=O)Nc2nonc2C)n1 9227652 CHAMDCFUCWZRAK-UHFFFAOYSA-N 303.394 1.682 0 40 DDAB COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)CO2 9390030 PGHOQAZITUEAJO-UHFFFAOYSA-N 312.325 1.956 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F 4009132 QVYBUVOFNKNWNZ-JFGNBEQYSA-N 302.252 1.497 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 6084590 JKVZPNPDUCWIKM-SNVBAGLBSA-N 319.386 1.068 0 40 DDAB CSc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 6127635 YNMHCEUHGBTSGX-JTQLQIEISA-N 315.416 1.091 0 40 DDAB Cn1ccc2ccn(CC(=O)NCc3ccc(F)cc3)c(=O)c21 65220085 JOQLPLPFMWQQKX-UHFFFAOYSA-N 313.332 1.796 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1 13849629 JECKKMWMVFUZEX-UHFFFAOYSA-N 320.370 1.524 0 40 DDAB CC(=O)NCCNC(=O)Nc1cc(C)nn1-c1ccccc1 65428615 FKVWUXLOELTEQX-UHFFFAOYSA-N 301.350 1.438 0 40 DDAB C[C@@H]1CN(C(=O)CN(C2CC2)C2Cc3ccccc3C2)CCO1 65487749 LHEMACLKPRAZFO-CQSZACIVSA-N 314.429 1.866 0 40 DDAB COC[C@@H](O)CN(C)C(=O)N[C@H]1CCSc2ccccc21 65440661 SABZFFWRBWZTCH-AAEUAGOBSA-N 310.419 1.872 0 40 DDAB COC[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 65428633 OWWZJEDDIYFUSD-YPMHNXCESA-N 324.377 1.168 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)C1 65492228 UELOMMLJOGENFC-VIFPVBQESA-N 314.744 1.582 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 65522851 JLNGCLWAUZGWLO-ZYUPPKHXSA-N 311.407 1.913 0 40 DDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccco2)c1 9516429 LQLGATDQARBGIH-UHFFFAOYSA-N 322.386 1.816 0 40 DDAB COc1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1 4985370 DAXMKBRUQQJQKG-UHFFFAOYSA-N 314.345 1.035 0 40 DDAB CN1N=C(C(=O)N2CCCCC2)S(=O)(=O)c2ccccc21 67245728 RNSRUAUJODKNJM-UHFFFAOYSA-N 307.375 1.236 0 40 DDAB CNC(=O)C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1 80113557 VHPCSXVKHMGENZ-CQSZACIVSA-N 306.362 1.457 0 40 DDAB CC(C)[C@H](C(=O)N1CCN(c2nccs2)CC1)n1cncn1 71819719 TURNZCITSJKKAT-GFCCVEGCSA-N 320.422 1.281 0 40 DDAB CC(C)OCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863714 SYEPGLLDINACSF-INIZCTEOSA-N 306.406 1.289 0 40 DDAB Cc1ccc(S(=O)(=O)NCCNC(=O)C[C@@H](C)C2CC2)cc1 68012046 HKMWAKUNUKQWTD-CYBMUJFWSA-N 324.446 1.826 0 40 DDAB COC(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(Cl)s1 71907769 GXHKKCSSUXHVOH-JTQLQIEISA-N 316.810 1.655 0 40 DDAB NC(=O)NCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1 8074580 GRQJJVPMPWMFPJ-UHFFFAOYSA-N 322.384 1.313 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1cc(NC(C)=O)ccc1OC 8280043 VGJWRABKWTVQSI-VIFPVBQESA-N 300.380 1.730 0 40 DDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2cccc(C(N)=O)c2)n1 69484696 SGXUDABUBBSZCS-MRXNPFEDSA-N 313.405 1.658 0 40 DDAB Cc1ccccc1CCNC(=O)CSc1nnc(C)n1C 8473659 QGTWEODJACLXIS-UHFFFAOYSA-N 304.419 1.883 0 40 DDAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1cnn(C)c1 69706211 PGWJBTHHKQPALQ-NWDGAFQWSA-N 307.398 1.009 0 40 DDAB C[C@H](C(=O)NCc1ccco1)N1CCC[C@H](Cn2cncn2)C1 69950727 HOJWIKUGQYYXDS-KGLIPLIRSA-N 317.393 1.288 0 40 DDAB Cc1cc(=O)[nH]c([C@@H](C)N2CCN(c3nc(C)ns3)CC2)n1 84114338 OFSNSFQXFHCMOF-SNVBAGLBSA-N 320.422 1.121 0 40 DDAB C[C@H](C[S@](C)=O)NC(=O)NCCc1ccc(F)cc1F 97086267 MAVOTNSEXIFJGI-GSDQLPOLSA-N 304.362 1.574 0 40 DDAB O=C(NCCCNC(=O)c1ccc(O)cc1)NCc1ccco1 97011048 QEVGBLCIBCJHDS-UHFFFAOYSA-N 317.345 1.605 0 40 DDAB Cc1nnc(CN(C)[C@H]2CCN(CCOCC3CC3)C2)n1C 84291202 CEDNHDGMUOSUCG-HNNXBMFYSA-N 307.442 1.056 0 40 DDAB CC(C)c1noc(CCCNc2ncnc3c2cnn3C)n1 97160161 AJXHGFUIUDCIER-UHFFFAOYSA-N 301.354 1.914 0 40 DDAB O=C(NCCCn1ccnc1)N1CCN(c2cccs2)CC1 89800028 GAFOSNVZQPIJNF-UHFFFAOYSA-N 319.434 1.867 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O 25106962 LRTBCPFCBUZNSH-LKFCYVNXSA-N 317.345 1.081 0 40 DDAB COC(=O)c1cccc(CCNC(=O)c2n[nH]c3c2CCC3)c1 95454101 FXRJKWIUCQDSNU-UHFFFAOYSA-N 313.357 1.658 0 40 DDAB CNC(=O)[C@@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1 95406708 QFIOYSCTHMOHQX-SECBINFHSA-N 308.407 1.316 0 40 DDAB COc1ccc(CCC(=O)N2CC[S@](=O)C(C)(C)C2)cc1 89919610 BGCJIXJXZOCLMR-OAQYLSRUSA-N 309.431 1.997 0 40 DDAB CC(C)CCNC(=O)CN1CCN(C(=O)c2ccoc2)CC1 28976965 JHVLYXXFDWVNEL-UHFFFAOYSA-N 307.394 1.200 0 40 DDAB CCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 22273630 NACJLHUXWALMQP-UHFFFAOYSA-N 320.798 1.251 0 40 DDAB O=C(O)[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 43700861 OKQLTCIWHLSHGF-NSHDSACASA-N 301.701 1.334 0 40 DDAB O=C(O)c1cc(NC(=O)c2ccccc2)cc(S(=O)(=O)O)c1 3844757 DUQUTBDEZKDIDN-UHFFFAOYSA-N 321.310 1.884 0 40 DDAB biogenic O=C(c1cncs1)N1CCOC[C@@H](Cc2ccccn2)C1 72388186 ZZPYGGVRHPHXSO-LBPRGKRZSA-N 303.387 1.869 0 40 DDAB Clc1ccc2c(c1)NC(N1CCNCC1)=c1ccccc1=N2 31261402 HESZUPIXRNZIOI-UHFFFAOYSA-N 312.804 1.688 0 40 DDAB in-vitro CS(=O)(=O)N1CC[C@@H](Cc2ccc(NC3CCCC3)nn2)C1 72366282 JPLKZGFGXAYBMW-LBPRGKRZSA-N 324.450 1.655 0 40 DDAB Nc1nc(N)nc(COC(=O)Cc2c(F)cccc2Cl)n1 17528551 KLGUDEBACXKUKN-UHFFFAOYSA-N 311.704 1.114 0 40 DDAB CC(C)NC(=O)CNC(=O)NCCOc1ccc(F)cc1F 78604736 MMXMQRMWXWYZED-UHFFFAOYSA-N 315.320 1.167 0 40 DDAB Cc1c(I)c(C(=O)O)nn1C(F)F 72339374 KIVNZLQJJVOXQU-UHFFFAOYSA-N 302.018 1.889 0 40 DDAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc21 226859652 AAWYKSGJNWCQGB-UHFFFAOYSA-N 320.301 1.510 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 83627220 IJPQESCCIXDUKB-XPTSAGLGSA-N 314.382 1.115 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)C1 46089144 DLLNJBOJUAESTP-QWRGUYRKSA-N 304.394 1.887 0 40 DDAB CC(C)c1nnc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)s1 528522995 XHQVWCLKWGZCFW-QWRGUYRKSA-N 315.464 1.813 0 40 DDAB CC[C@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 191421249 SANDXEDMBGTFCI-CYBMUJFWSA-N 310.781 1.847 0 40 DDAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](C(F)(F)F)C[C@@H]2O 85399281 YXGBVZKPZJQNID-WKEGUHRASA-N 305.252 1.710 0 40 DDAB C[C@]1(C(=O)NCCN2CCOCC2)CC(c2cccs2)=NO1 226749642 XFIZHOCTDGSMJE-OAHLLOKOSA-N 323.418 1.080 0 40 DDAB CC(=O)N1CCN(C(=O)CCNC[C@@H]2C(C)=CCC[C@@H]2C)CC1 134173087 UGTDDYCHNAVIKC-DOTOQJQBSA-N 321.465 1.649 0 40 DDAB CCn1nccc1CN1CCc2cc(S(=O)(=O)NC)ccc21 191552111 DQGKEPRQKJWAHA-UHFFFAOYSA-N 320.418 1.374 0 40 DDAB O=C(CNC[C@@H](O)COc1cccc2[nH]ccc12)N1CCCC1 573358460 PIEFBNUMXJLLKR-CYBMUJFWSA-N 317.389 1.120 0 40 DDAB COc1ccc(S[C@H](C)C(=O)NCCN2CCOCC2)cc1 44903994 KUOVIHWWOUIGST-CYBMUJFWSA-N 324.446 1.624 0 40 DDAB Cc1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)c(C)c1 223445502 XBPJEPQBBTZZHJ-UHFFFAOYSA-N 302.330 1.983 0 40 DDAB C[C@H]1COCCN1CCN1CCNC(=O)[C@@H]1c1ccccc1F 225628470 QTURYGFRCPZGET-BBRMVZONSA-N 321.396 1.019 0 40 DDAB NC(=O)c1nccnc1C(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 96444795 RLGLTEHEHIDBBB-QWRGUYRKSA-N 316.748 1.515 0 40 DDAB C[C@H]1CCN(C)c2ccccc2N1CCN1C(=O)CNC1=O 96467079 AUXZNUYDJLPIFN-LBPRGKRZSA-N 302.378 1.273 0 40 DDAB c1csc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)c1 96054341 INOCBEHGRQXPMC-IMJJTQAJSA-N 308.447 1.812 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181918 VHYGEAPVQHOJJW-HOCLYGCPSA-N 322.380 1.888 0 40 DDAB C[C@@]1(CNC(=O)CNC(=O)c2cccc(F)c2)CCCS1 95412660 JOJOCQBBCOSHMP-HNNXBMFYSA-N 310.394 1.957 0 40 DDAB Cc1ccc(N2CCC[C@H](NC(=O)c3cnccn3)C2=O)cc1 96425894 BGXSBBRQGQVMGW-AWEZNQCLSA-N 310.357 1.710 0 40 DDAB CNC(=O)c1cccc(CCNS(=O)(=O)c2cccs2)c1 96419772 LJSLNDNZRRTDKE-UHFFFAOYSA-N 324.427 1.629 0 40 DDAB CCOCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186452 ATOCKBTWJGEHNS-GJZGRUSLSA-N 302.374 1.819 0 40 DDAB O=C(CC1CC1)NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1 96199185 RSBSQPBWZFKUMW-LBPRGKRZSA-N 318.402 1.822 0 40 DDAB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cn1 230691522 WLYHQDFIZKJIGO-UHFFFAOYSA-N 323.765 1.818 0 40 DDAB O=C(O)CCC(=O)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 96220102 RADJFCPEBFNEHE-BBRMVZONSA-N 319.361 1.118 0 40 DDAB NC(=O)[C@H](NC(=O)c1cnn2c1CCCC2)c1ccc(F)cc1 97380156 PXESXHXQPAUREG-CQSZACIVSA-N 316.336 1.315 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(c3ncccn3)C[C@@H]12)N1CCCC1 96040839 UEMGLNYFXDQUAU-KFWWJZLASA-N 316.405 1.188 0 40 DDAB COCCc1nnc(SCc2noc3c2CCCC3)n1N 96430387 QTZZHDWBUZTZLK-UHFFFAOYSA-N 309.395 1.340 0 40 DDAB O=C(CN1CCCNC1=O)NCC1(c2cccc(Cl)c2)CC1 96417128 BZBRQAVVLQLNFZ-UHFFFAOYSA-N 321.808 1.903 0 40 DDAB CNc1nccnc1[C@H]1CN(Cc2cnn(C)c2C)CCO1 257295176 QXGYXDSSPDEIDF-CYBMUJFWSA-N 302.382 1.134 0 40 DDAB COc1cccc(CS(=O)(=O)N[C@H]2CCCC[C@@H]2CN)c1 252509565 YQNWEKDVDBQPPD-HIFRSBDPSA-N 312.435 1.632 0 40 DDAB Cc1cc(C)nc([C@H]2CN(CC3(O)CCOCC3)CCO2)n1 257338515 YXUIPCJYQNPOIS-CQSZACIVSA-N 307.394 1.008 0 40 DDAB NC(=O)CCC(=O)N1CC[C@@H]2[C@@H](CCCCN2CC2CC2)C1 257275328 NOWKOPQDIAXNKO-LSDHHAIUSA-N 307.438 1.365 0 40 DDAB OC1(CN2CCO[C@@H](CCc3ccncn3)C2)CCCCC1 257321372 WBJVGYJGQGSFFO-INIZCTEOSA-N 305.422 1.805 0 40 DDAB CCc1cccc(NC(=O)CNC(=O)[C@@H]2CSC(=O)N2)c1 266846313 QAGQZWXSZJVISP-NSHDSACASA-N 307.375 1.129 0 40 DDAB Nn1c(S[C@@H]2CCCCNC2=O)nnc1C1CCCCC1 22535511 NDRDLIVVIGIZSE-LLVKDONJSA-N 309.439 1.800 0 40 DDAB Cn1ccc2ccn(CCNC(=O)CC(F)(F)F)c(=O)c21 575619001 YUPAMHGZOBHBPP-UHFFFAOYSA-N 301.268 1.409 0 40 DDAB O=C(c1ccnnc1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585277814 PPVVQIXVSQWOGR-HOTGVXAUSA-N 315.348 1.824 0 40 DDAB COCc1nnc2n1CCN(C(=O)Cc1ccccc1)[C@@H]2C 585098757 ZHRQIYGFAIILNJ-GFCCVEGCSA-N 300.362 1.570 0 40 DDAB CO[C@@H]1COC[C@@H](N(C)Cc2cnn(C3CCCC3)c2)[C@@H]1O 585291717 SGZACGJVVFTXEN-OAGGEKHMSA-N 309.410 1.205 0 40 DDAB CCN(CC)c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 585139793 SNCNAOYLGBMDFG-ZDUSSCGKSA-N 318.377 1.460 0 40 DDAB CO[C@H]1CCCN(C(=O)CNC(C)=O)[C@H]1Cc1ccccc1F 585274431 KZBUWVJZQRHWQC-HOTGVXAUSA-N 322.380 1.510 0 40 DDAB CN(C)c1ncc(C(=O)N2CCC[C@@]3(CCCN3C)CC2)o1 585100670 SESFLYYRDGCWFI-INIZCTEOSA-N 306.410 1.831 0 40 DDAB O=C(NCc1noc(-c2ccsc2)n1)c1ccc[nH]c1=O 71841800 SEYKCOYTYVZZIU-UHFFFAOYSA-N 302.315 1.416 0 40 DDAB CC1CCN(C[C@@H](O)Cn2cnc3ccccc3c2=O)CC1 71825030 NNWAEVQQPJZHNK-CQSZACIVSA-N 301.390 1.489 0 40 DDAB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)nc1)n1cncn1 44953163 CLKWDMSLGPPHNC-ZDUSSCGKSA-N 314.393 1.541 0 40 DDAB O=C(NC1CC1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 78954184 NTIDTMHPTVNLMQ-GOEBONIOSA-N 303.406 1.331 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)Cn2ccnc2)c1 40435942 NMUGQFKISAQSOE-LLVKDONJSA-N 307.375 1.453 0 40 DDAB NC(=O)c1cc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n[nH]1 78901460 JLKJVASIJLCPAR-RYUDHWBXSA-N 302.378 1.571 0 40 DDAB CC[C@@H](C(=O)N1CCN([C@H](C)c2ccccn2)CC1)N(C)C 95943419 SDLMMNAJJPNOFN-ZBFHGGJFSA-N 304.438 1.627 0 40 DDAB COC(=O)/C=C(\Nc1ccc(Cl)cc1C(=O)O)C(=O)OC 5104688 FAOWSWCRURCJRM-POHAHGRESA-N 313.693 1.680 0 40 DDAB COc1ccc(CCNC(=O)c2cn(C)nc2C)cc1OC 12015623 CVHRVJDUITXKPW-UHFFFAOYSA-N 303.362 1.718 0 40 DDAB C[C@H]1C[C@H](CCC(=O)NC(=S)Nc2nncs2)C(=O)O1 16809017 MSVFANCOFWXBST-BQBZGAKWSA-N 314.392 1.083 0 40 DDAB COc1ccc2c(c1)C[C@@H](C(=O)NCCc1cnccn1)CO2 19562445 PKDWYWKSSWLSEB-CYBMUJFWSA-N 313.357 1.395 0 40 DDAB CCCNC(=O)COC(=O)/C=C/c1ccc(OC)cc1OC 3485683 AVNXTASATUZGLV-SOFGYWHQSA-N 307.346 1.786 0 40 DDAB COc1ccc([C@@H](O)CNC(=O)NC2CCOCC2)cc1OC 225559249 ASLGXRILBKMFIN-ZDUSSCGKSA-N 324.377 1.215 0 40 DDAB Cc1nc(CN2CCN(C(=O)CCNC3CC3)CC2)oc1C 568234211 IGIHQNLYIQUZDH-UHFFFAOYSA-N 306.410 1.078 0 40 DDAB CCN1CCN(C(=O)Nc2cc(C(C)(C)C)no2)C(=O)C1=O 1888918208 JXZPVPFXHPYLCE-UHFFFAOYSA-N 308.338 1.195 0 40 DDAB Cn1ccnc1N1CCN(c2nc3cnccc3s2)CC1 1888918260 QSPDANHNIPGPSK-UHFFFAOYSA-N 300.391 1.751 0 40 DDAB CCCc1ccc([C@@]2(C)NC(=O)N(CCC(N)=O)C2=O)cc1 24100664 FCFFJJYCVLWCFK-MRXNPFEDSA-N 303.362 1.282 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OC)c(OC(F)F)c1 25062470 PLJXKASWPMNYNB-SSDOTTSWSA-N 317.292 1.553 0 40 DDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 3439786 DMSMDNWNWOPAFK-UHFFFAOYSA-N 320.773 1.332 0 40 DDAB O=S1(=O)N=C(O)c2ccc(I)cc21 40442700 FUCBTVUAKSGITP-UHFFFAOYSA-N 309.084 1.298 0 40 DDAB CC(C)c1ccc2c(c1)CCCN2C(=O)CN(C)S(C)(=O)=O 41880498 ZEEWZGQDQGHJIP-UHFFFAOYSA-N 324.446 1.981 0 40 DDAB CN1C[C@H]2CN(C(=O)CC3CCCCC3)CC[C@@H]2OCC1=O 2037984675 JRCNEKBVGISQIG-GJZGRUSLSA-N 308.422 1.663 0 40 DDAB CN1C[C@]2(CCN(C(=O)CC3CCCCC3)C2)COCC1=O 2037984960 TVHKDFWLXIRMRD-KRWDZBQOSA-N 308.422 1.664 0 40 DDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccsc2)C1 2055772453 KHGSUYBPISPZQA-OAHLLOKOSA-N 318.402 1.322 0 40 DDAB CO[C@H](CNC(=O)C(=O)N[C@H](C)c1ccccc1)c1ccco1 206867136 KYTKCKWOQYJZKX-IUODEOHRSA-N 316.357 1.961 0 40 DDAB O=S(=O)(NCCn1cc(-c2ccoc2)cn1)N1CCCC1 575614809 IYMXWGMWCWSOLQ-UHFFFAOYSA-N 310.379 1.073 0 40 DDAB O=C(NCc1ccc(F)cc1)c1c(O)nc2sccn2c1=O 16690006 VPGSDTUBRBPVKO-UHFFFAOYSA-N 319.317 1.531 0 40 DDAB CC(C)N1C(=O)C[C@H](NC(=O)c2cc3cccc(F)c3o2)C1=O 102688180 DLAFRCFDCHRLKO-NSHDSACASA-N 318.304 1.838 0 40 DDAB CC[C@H]1CN(C(=O)c2cc3c(C)nn(C)c3nc2C)CCO1 30849114 XLCBPQSRMPFEOL-LBPRGKRZSA-N 302.378 1.836 0 40 DDAB O=C(NCc1ccco1)N[C@H]1CCCN(c2ncccn2)C1 40549226 QPWIQMNTLOWSIB-LBPRGKRZSA-N 301.350 1.538 0 40 DDAB CN(C)c1cc(CNS(=O)(=O)c2ccc(F)cc2)ccn1 40512738 ITGRGKVFWDRDRB-UHFFFAOYSA-N 309.366 1.765 0 40 DDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)o1 32827172 CZIZPXZQBFYJCO-UHFFFAOYSA-N 314.407 1.983 0 40 DDAB Cn1ccs/c1=N\C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 32833339 FWAXQWGPYDDLND-XQTVBXIXSA-N 305.334 1.846 0 40 DDAB CC(C)[C@H](C)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 21872379 SGJAWHUFAWSSKO-JTQLQIEISA-N 318.464 1.614 0 40 DDAB O=C(NC1CC1)c1cc(C(F)(F)F)cc(C(=O)NC2CC2)n1 22996503 RHLXWBXXEXBGNG-UHFFFAOYSA-N 313.279 1.885 0 40 DDAB CC(C)(C)c1noc(CCC(=O)Nc2nnc3ccccn23)n1 41837316 CVEHYDAEZVPJBG-UHFFFAOYSA-N 314.349 1.981 0 40 DDAB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cccnc1=O 42022868 UUDDPZMHFPUJNV-GFCCVEGCSA-N 303.387 1.841 0 40 DDAB CNS(=O)(=O)c1cc(NC(=O)c2ccc(C)nc2)ccc1C 22702364 VFRCECAPIFGEKI-UHFFFAOYSA-N 319.386 1.859 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1F 42987405 JKKKIWSCZZHQMJ-UHFFFAOYSA-N 315.366 1.662 0 40 DDAB CCc1nnc(NC(=S)NC(=O)COc2ccccc2)s1 570300 BDYSABHVYNCVDC-UHFFFAOYSA-N 322.415 1.993 0 40 DDAB CC(=O)N1CCCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 55199304 UTGLQEGERFUOCY-WBMJQRKESA-N 318.373 1.296 0 40 DDAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccc2nnnn2c1 79477895 HIZGZRPNLULBFX-MRVPVSSYSA-N 317.334 1.080 0 40 DDAB c1nc2c([nH]1)CCN[C@H]2c1ccc([C@H]2NCCc3[nH]cnc32)cc1 1730855 YMRZRVBWYWHBST-IYBDPMFKSA-N 320.400 1.603 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 24801050 IWYJROWUGFZAFR-JQWIXIFHSA-N 315.366 1.239 0 40 DDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1cccnc1 43787611 CAINCOTVZSWDJE-ZDUSSCGKSA-N 312.377 1.464 0 40 DDAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)n[nH]c1=O 43940852 HOZVVDRUNXFBGO-UHFFFAOYSA-N 300.290 1.117 0 40 DDAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)C[C@H]2CCOC2)C1 108356291 SMCXOCYBJNVDMH-XGUBFFRZSA-N 318.483 1.309 0 40 DDAB CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCN(C2CC2)C1 57553360 ODEXRQIQFFMXHN-CYBMUJFWSA-N 312.417 1.952 0 40 DDAB Cn1ccc(-c2cc(C(F)F)n3nc(CCC(=O)O)nc3n2)n1 35655585 SLVAEJMAHIRLNM-UHFFFAOYSA-N 322.275 1.480 0 40 DDAB CCCN1C(=S)N[C@H](c2cnn(C)c2)C(C(=O)OCC)=C1C 22356542 LLGHASSRSWRZJO-CYBMUJFWSA-N 322.434 1.898 0 40 DDAB O=C(COCc1ccccc1)N1CCC[C@H](n2cncn2)C1 72234725 RMLBYXCNBHDITA-HNNXBMFYSA-N 300.362 1.658 0 40 DDAB CCOC(=O)[C@@](C)(NC(=O)C(=O)Nc1cc(C)on1)C(C)C 72290318 SXXDXJQQFHBQAJ-AWEZNQCLSA-N 311.338 1.016 0 40 DDAB O=C(C[C@H](NCc1ccccc1)C(=O)O)NCc1ccccc1 2013240 UTEIYYMJOOFGCY-INIZCTEOSA-N 312.369 1.936 0 40 DDAB NS(=O)(=O)c1cc(C(=O)NCCc2cccs2)cs1 58157634 NFPRKCOQUBFLKP-UHFFFAOYSA-N 316.429 1.430 0 40 DDAB COc1ccc(CCNC(=O)/C=C/c2cnn(C)c2)cc1OC 44868250 ICDJTFVSGZVXMF-FNORWQNLSA-N 315.373 1.809 0 40 DDAB COc1ccc(CCC(=O)N[C@@H]2CCN(C3CC3)C2)cc1OC 58210416 MJMFKIBPJIFUJS-CQSZACIVSA-N 318.417 1.989 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)c1 58202969 CNDCOOJEYJEQMX-NSHDSACASA-N 324.402 1.178 0 40 DDAB Cc1nn2c(=O)cc(CN3CCOc4ccccc43)nc2s1 44966593 JBZLDCUCYKOHRI-UHFFFAOYSA-N 314.370 1.858 0 40 DDAB C[C@H]1CN([C@@H](C)CNC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1 44914754 RNGYSLZOXVHKQK-MELADBBJSA-N 323.441 1.059 0 40 DDAB Cc1cc(NC(=O)NCc2cccnc2N2CCOCC2)no1 44908398 RRRLTTAFISEKBB-UHFFFAOYSA-N 317.349 1.536 0 40 DDAB O=C1CNC(=O)N1CCn1cc(C(F)(F)F)cc(Cl)c1=O 28006729 DZZQSQHMEUPSAH-UHFFFAOYSA-N 323.658 1.072 0 40 DDAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(N)=O)c2)no1 28356435 HLTXHIDANSSEGD-JTQLQIEISA-N 318.333 1.286 0 40 DDAB CC(C)n1c2c(=O)nc(O)n(C)c2n2c(-c3ccccc3)nnc12 10963633 PYFMUVAPQJOCRK-UHFFFAOYSA-N 324.344 1.731 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 84756729 CEPPZTUDMYLCHI-CYBMUJFWSA-N 304.390 1.895 0 40 DDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)/N=c2/sccn2C)c1 103038733 FNDXUPDSXCAEDZ-NRYCMEERSA-N 303.387 1.641 0 40 DDAB Cc1cc(C(=O)N2CCN(c3ccncc3Cl)CC2)n(C)n1 95437759 UZWBSZMFNCYEHA-UHFFFAOYSA-N 319.796 1.739 0 40 DDAB O=C(NOCc1ccccc1)[C@H]1CCCN(c2cnccn2)C1 29855394 KUCDTEGVFSDAOQ-HNNXBMFYSA-N 312.373 1.941 0 40 DDAB COc1cccc(COCC(=O)NC[C@H](C)N2CCCC2)c1 46781389 XPTVIYSDNYRAGK-AWEZNQCLSA-N 306.406 1.812 0 40 DDAB C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)[C@H]1CCCO1 2788043 TXBRDJPMJNEOAE-WCQYABFASA-N 301.350 1.024 0 40 DDAB COC(=O)CCn1c(=O)cc(C)c2c(C)n(CC(F)F)nc21 12398047 YFESIOKGFFYVDY-UHFFFAOYSA-N 313.304 1.643 0 40 DDAB CC(=O)N1CCC(NC(=O)Cc2noc3ccccc23)CC1 48253324 KHAAIBMXDLLGID-UHFFFAOYSA-N 301.346 1.497 0 40 DDAB COc1ccc(CN2C(=O)CC[C@@H]2C(=O)O)c(OC)c1OC 62709486 DWJMZOVBIHDLJU-SNVBAGLBSA-N 309.318 1.288 0 40 DDAB COC(=O)c1ccc(NCCc2ccc3c(c2)OCCO3)nn1 48332311 QSDACFWWVVBIHD-UHFFFAOYSA-N 315.329 1.689 0 40 DDAB NC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3446786 DIZMPONHNOPDDD-UHFFFAOYSA-N 324.764 1.890 0 40 DDAB CC(C)Oc1ccccc1[C@H](C)NC(=O)C[C@H]1NC(=O)NC1=O 48465068 FCUZYORTDBHZHR-CMPLNLGQSA-N 319.361 1.249 0 40 DDAB Cc1cnn(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)c1 72276231 FJNZXIKDUHFBHD-CQSZACIVSA-N 316.409 1.445 0 40 DDAB CCn1ncc2c1CCC[C@H]2N[C@H](C)C(=O)N1CCOCC1 72299771 IVEJRBONDNVZLL-TZMCWYRMSA-N 306.410 1.117 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 13252358 MHWCFCIGKOYFER-CHWSQXEVSA-N 302.330 1.652 0 40 DDAB CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ncccc1O 97165507 JPFYMGSCFJUDRW-JTQLQIEISA-N 301.350 1.767 0 40 DDAB Cc1cccc(-c2nc3[nH]c(=O)cc(NC(=O)C(C)C)n3n2)c1 9331534 WDTQQBAIRGDUOM-UHFFFAOYSA-N 311.345 1.988 0 40 DDAB COC[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 65440292 DKZABOVGJHIXDP-NSHDSACASA-N 308.378 1.806 0 40 DDAB C[C@H](NC(=O)NCCCn1cccn1)C(=O)N1CCCC[C@@H]1C 65539574 BTASUEVKWPXNQI-KBPBESRZSA-N 321.425 1.362 0 40 DDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ncon1 14182773 CYKMEGSQPOZVDX-UHFFFAOYSA-N 300.240 1.557 0 40 DDAB C[C@H]1CN(CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C[C@@H](C)O1 14142059 OMTCFOMPYVCZTA-AHIWAGSCSA-N 323.437 1.944 0 40 DDAB C[C@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@H](C)O1 15254718 KCTMWYHYZLUKQU-KBPBESRZSA-N 301.390 1.732 0 40 DDAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)cc1 4921343 ZDXBGRRHOHZYFG-QMMMGPOBSA-N 304.379 1.464 0 40 DDAB COC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 7088903 XROQWKCUEDRFKE-JTQLQIEISA-N 308.315 1.847 0 40 DDAB Cn1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 7067715 LUYQQWUUEDVSAO-UHFFFAOYSA-N 312.329 1.435 0 40 DDAB Cc1cc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)nc(C(C)C)n1 71834619 ZQTJTTJJCFGPGO-CQSZACIVSA-N 318.421 1.594 0 40 DDAB C[C@@H](CNC(=O)c1c(F)cccc1Cl)N1CCN(C)CC1 71867425 GJTPAFKYIKBJFU-NSHDSACASA-N 313.804 1.845 0 40 DDAB Cc1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)n(C)n1 71817296 TYFTZQCYTJBGAO-UHFFFAOYSA-N 300.362 1.246 0 40 DDAB COc1ccc(C)cc1[C@H](O)CN[C@@H]1CCc2ncnn2C1 71871749 KZAVMOHIRZGVPG-TZMCWYRMSA-N 302.378 1.233 0 40 DDAB CCN(CC)C(=O)CNC(=O)Nc1ccn(-c2ccccc2)n1 68302173 KTEQOOOSIOSBTA-UHFFFAOYSA-N 315.377 1.862 0 40 DDAB CC[C@@H]1CN(CCOc2ccccc2F)CCN1C[C@@H](C)O 71864659 HUNPOZIJRWGYML-HUUCEWRRSA-N 310.413 1.982 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 16582793 CDNHAOQFFDPWDW-PWSUYJOCSA-N 304.346 1.633 0 40 DDAB CCc1ccccc1N1C[C@@H](C(=O)NCC[C@@H](C)O)CC1=O 83827736 OKJZGOFYBCECBG-OCCSQVGLSA-N 304.390 1.489 0 40 DDAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)COC)C1 8235090 SMWSMTRZGDVQDM-CHWSQXEVSA-N 320.389 1.907 0 40 DDAB CC(C)[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cncn1 69327367 KOJCTGLJDHLVPS-UONOGXRCSA-N 302.382 1.535 0 40 DDAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(N)=O)CC1 8317539 ZILCHFOLWJVNDL-LBPRGKRZSA-N 321.396 1.370 0 40 DDAB O=C(CSc1nnnn1C1CCCC1)NC[C@@H]1CCCO1 8388626 RPBXQNBSFWMWSU-NSHDSACASA-N 311.411 1.176 0 40 DDAB Cn1ccnc1CN1CCN(C[C@@H](O)c2ccccc2F)CC1 69565340 LGSXPTADXKVASZ-MRXNPFEDSA-N 318.396 1.410 0 40 DDAB c1ncn(C[C@@H]2CCCN(Cc3nc(-c4ccoc4)no3)C2)n1 69848061 RXGCDOTZHUYJNW-GFCCVEGCSA-N 314.349 1.833 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cn1ccc3ccccc31)C2 69843664 YVNNAYIZGIFKBH-UHFFFAOYSA-N 309.373 1.838 0 40 DDAB CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(N)=O)C1 69819058 VOXCJKWGQKAFNW-QWHCGFSZSA-N 323.437 1.138 0 40 DDAB Cc1ccc(SCCNC(=O)C2=NN(C)C(=O)CC2)cc1 8745224 CVQMIOYYIMFJEE-UHFFFAOYSA-N 305.403 1.812 0 40 DDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccn(C(F)F)n1 95463096 KAKPBNCGMREZGZ-MRVPVSSYSA-N 311.336 1.990 0 40 DDAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccco1 19309653 XYVFUUTZZWMQLI-UHFFFAOYSA-N 305.359 1.722 0 40 DDAB O=C(C1CCC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306137950 RKUDLKQORDQGRO-AWEZNQCLSA-N 302.374 1.878 0 40 DDAB CCc1n[nH]c([C@@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)n1 89289860 GBYHUFZFCCGTAY-NSHDSACASA-N 318.381 1.591 0 40 DDAB CN(CCCCN1C(=O)c2ccccc2C1=O)CCC(=O)O 89340334 GBTGWEOJNRKLGW-UHFFFAOYSA-N 304.346 1.469 0 40 DDAB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCOC2(CCCC2)C1 89499547 BHWNSAZTSSWBGM-UHFFFAOYSA-N 319.405 1.987 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1 75118413 YTCREICMHYXYBJ-UHFFFAOYSA-N 311.385 1.954 0 40 DDAB COc1ccc(CN(C)CC(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 89930238 KVMUWFLMSUETIQ-CHWSQXEVSA-N 307.394 1.158 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 89938333 NYTRDTYDGZSQEF-NSHDSACASA-N 302.353 1.992 0 40 DDAB C[C@H](CS(=O)(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1 89904103 QGRNFNZWQHGILX-ZIAGYGMSSA-N 324.446 1.707 0 40 DDAB CC1(C)C(=O)NCCN1C(=O)c1ccc(Br)s1 21009496 NDTMAJYAHIOPFN-UHFFFAOYSA-N 317.208 1.861 0 40 DDAB O=C(NCCS(=O)(=O)NCc1ccccc1)C1=CCCCC1 126583096 IZPDCQHRUQYOQE-UHFFFAOYSA-N 322.430 1.723 0 40 DDAB O=C(NC[C@@H]1CNCCCO1)c1nc(-c2ccccc2)cs1 516759552 FGZZZIFDEGYDID-ZDUSSCGKSA-N 317.414 1.918 0 40 DDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc(F)c(F)c1F 22907605 PGXPEOAEPCZTLC-UHFFFAOYSA-N 315.295 1.253 0 40 DDAB Cn1c(=O)c2sccc2n(CCOc2ccc(F)cc2)c1=O 71327711 LNKKKZACUKKWMJ-UHFFFAOYSA-N 320.345 1.980 0 40 DDAB CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(COC)C(=O)O)cc1 218424380 IVGWJKJLPGIBIW-YDHLFZDLSA-N 312.387 1.477 0 40 DDAB CNC(=O)[C@]1(C)CCN(Cc2cc3ccccc3n(C)c2=O)C1 565163640 MICOCOOVMQAHHF-GOSISDBHSA-N 313.401 1.497 0 40 DDAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccccc2)CC1 36171474 FGDNFXAILBAJRB-INIZCTEOSA-N 316.401 1.834 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2Cc2ccccn2)c1 72364497 YCTCVXRAZOIRCA-ZDUSSCGKSA-N 306.391 1.211 0 40 DDAB CC(C)(C)c1nnc(NC(=O)c2nccnc2C(=O)O)s1 71284518 ZNSGILIMRSVIPG-UHFFFAOYSA-N 307.335 1.576 0 40 DDAB CN(C)[C@@H](C(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1 70006424 ZPIMDNQDJJGELD-MRXNPFEDSA-N 319.449 1.204 0 40 DDAB CCCN1C[C@@H](CNC(=O)c2ccc3nnc(C)n3c2)CC1=O 563527750 LQMDBIOOWWRKLW-GFCCVEGCSA-N 315.377 1.026 0 40 DDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2ccccc2CC1 73762312 RGRRVXSMLNURMB-UHFFFAOYSA-N 324.446 1.285 0 40 DDAB COC(=O)[C@H]1CC(=O)N(c2cc(OC)c(Cl)cc2OC)C1 45953065 KBGAUKIMCSZAHP-QMMMGPOBSA-N 313.737 1.883 0 40 DDAB COc1cc(Cl)nc(NC(=S)NC[C@H]2CCCO2)n1 225910398 KULSLQJMVOURQL-SSDOTTSWSA-N 302.787 1.604 0 40 DDAB CCc1noc(CC)c1CNC(=O)NCc1ccnc(C)n1 87053989 WMWIUXQZJSIDGD-UHFFFAOYSA-N 303.366 1.897 0 40 DDAB Cc1ccc(CNC(=O)c2cc(N3CCOCC3)on2)cc1 224071292 NQNJVDVAXTYORI-UHFFFAOYSA-N 301.346 1.750 0 40 DDAB Cc1c(O)cccc1C(=O)N1CCN(CCN2CCCC2)CC1 191384486 MXILGRUQWXIWFY-UHFFFAOYSA-N 317.433 1.554 0 40 DDAB Cc1cc(C(=O)N[C@@H]2C[C@@H]3C(=O)Nc4ccccc4N3C2)no1 230150583 NEHRVNPXJIUVJJ-QMTHXVAHSA-N 312.329 1.312 0 40 DDAB Cc1ccc(CS(=O)(=O)NC(=O)c2cnn(C)c2)c(F)c1 190862238 BRRYYBCENWIRRS-UHFFFAOYSA-N 311.338 1.127 0 40 DDAB O=C1CC[C@H]2[C@H](CCN2C[C@@H]2CCOC2)N1CCN1CCCC1 96186303 YHJWVJBUGLKXFQ-ULQDDVLXSA-N 321.465 1.184 0 40 DDAB O=C(CC1CC1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082015 TUXLCXAUQQEZIE-CVEARBPZSA-N 313.401 1.689 0 40 DDAB O=C(c1ccnnc1)N1CC[C@H]2OCC[C@@]2(COCC2CC2)C1 96110352 OFOSXDKEBBHTJF-WBVHZDCISA-N 317.389 1.524 0 40 DDAB CCN1CCC[C@H]1CNC(=O)c1cccc(-n2nnnc2C)c1 95473132 CNSXDGDTXMBACL-HNNXBMFYSA-N 314.393 1.185 0 40 DDAB CC(C)CCN1CCC2(CC1)O[C@@H](C(N)=O)Cn1ccnc12 96263096 USNLFUMYYOAFGG-CYBMUJFWSA-N 306.410 1.104 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246171 HRWFZJAQUNFRLP-UONOGXRCSA-N 309.373 1.470 0 40 DDAB CN(CC(=O)N(CC(F)(F)F)C1CCCC1)S(C)(=O)=O 96452849 XBMZHMCOFCDFLY-UHFFFAOYSA-N 316.345 1.211 0 40 DDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 257241040 HWJLHWTXCDZAJS-QLFBSQMISA-N 324.388 1.254 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 257268558 MMFQZUHUQQFXGB-CYBMUJFWSA-N 313.361 1.194 0 40 DDAB CN1CCN([C@H]2CCN(C(=O)CC3CCCC3)CC[C@@H]2O)CC1 257269795 MRJUSVQSGDATLZ-IRXDYDNUSA-N 323.481 1.166 0 40 DDAB CC(C)CNC(=O)C1(C)CCN(c2ccc(N(C)C)nn2)CC1 257306405 SUEMUKRTKZUCJH-UHFFFAOYSA-N 319.453 1.921 0 40 DDAB Nc1cccc([C@@H]2CN(C(=O)CCN3CCCC3)CCO2)n1 257323726 WLPLYLWUCSLEBH-AWEZNQCLSA-N 304.394 1.050 0 40 DDAB Cc1onc(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 257220743 DLYUDGJIIXNEFM-CHWSQXEVSA-N 307.394 1.388 0 40 DDAB CCc1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)on1 257339563 ZCHCMQQJEJCRCJ-UMVBOHGHSA-N 307.394 1.345 0 40 DDAB CO[C@@H]1CC[C@@H](NC(=O)c2c(C)n(C)c3ccccc23)[C@H]1O 257267170 MGFFDTVUIPSNLM-XNRPHZJLSA-N 302.374 1.755 0 40 DDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cn3cccc3)C2)n1 575413883 LVVTUMZHDYHRLS-AWEZNQCLSA-N 300.362 1.575 0 40 DDAB C[C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)n1cccn1 65449786 MOSWNCNQKCHXHI-CHWSQXEVSA-N 300.366 1.019 0 40 DDAB CCOC[C@H]1CCn2nccc2CN1C(=O)c1cnc(C)[nH]1 585098414 XSBYEIGYVFFVGN-CYBMUJFWSA-N 303.366 1.366 0 40 DDAB Cc1cc(CNC(=O)CS(=O)(=O)c2ccccn2)ccc1F 47620159 WVJJHYFJGLGQFT-UHFFFAOYSA-N 322.361 1.619 0 40 DDAB O=C(COc1ccccc1F)N1CCN(C[C@H](O)C2CC2)CC1 85436651 DZVZZRSJYDIVMR-HNNXBMFYSA-N 322.380 1.120 0 40 DDAB NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cc1nsc2ccccc12 519640687 ZGDUIBLENGLMQQ-VXGBXAGGSA-N 317.414 1.999 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 188929865 CJVNABXDXHMKNY-GFCCVEGCSA-N 320.817 1.993 0 40 DDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 71144972 MBOKAVRBXHCEHD-SECBINFHSA-N 306.790 1.709 0 40 DDAB O=C(CSc1nncn1-c1ccccc1)Nc1ccon1 11331005 UPWCCKNDEFQUJF-UHFFFAOYSA-N 301.331 1.986 0 40 DDAB O=S(=O)(Cc1cccc(Cl)c1)NCCc1cnccn1 19293435 SASYBOHJPHPIIX-UHFFFAOYSA-N 311.794 1.792 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1ccc(C2CCOCC2)cc1 169997332 CPZFEWFDQLGAFT-UHFFFAOYSA-N 306.211 1.834 0 40 DDAB CC(C)(C)NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153572 WLTAYRZCGDWTDF-UHFFFAOYSA-N 308.403 1.599 0 40 DDAB Cc1nonc1C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 643585216 UESYEHJFBLEUKN-UXIGCNINSA-N 317.345 1.326 0 40 DDAB CCN=c1ccnc(N2CCN(c3ncc(Cl)cn3)CC2)[nH]1 1888843399 JJPFHGAOJOPDOA-UHFFFAOYSA-N 319.800 1.100 0 40 DDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCc1cccs1 23483715 HHDPQRORMGPBLC-STQMWFEESA-N 320.414 1.582 0 40 DDAB Cc1ncnc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)C)c1C 1565550105 PQIMAGGHOGZPLN-UONOGXRCSA-N 304.394 1.027 0 40 DDAB COc1ccc(NC(=O)CSc2nncn2C)cc1OC 90180 UQBVRGFKBWJWMX-UHFFFAOYSA-N 308.363 1.563 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)n1 2055732339 BZZGVWZTRBGFKH-GFCCVEGCSA-N 314.389 1.727 0 40 DDAB CN1Cc2nccn2C[C@@]12CCN(C(=O)C1CC(F)(F)C1)C2 2055772953 BVLSYPVEOBPWKU-CQSZACIVSA-N 310.348 1.345 0 40 DDAB C[C@H]1CN(C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CCO1 30036543 NZBAHYQVLPAZEE-MELADBBJSA-N 319.405 1.556 0 40 DDAB CN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 40087804 QSSDBCABAWPHJH-CYBMUJFWSA-N 313.357 1.682 0 40 DDAB CN(C)Cn1cc(CCC(=O)N2CCOCC2)c2ccccc21 20646493 MVPVWNLHNFOUID-UHFFFAOYSA-N 315.417 1.952 0 40 DDAB Cn1cc(C(=O)NC2CCCC2)c(C(=O)NC2CCCC2)n1 20616584 NKPPSZUSELCSTO-UHFFFAOYSA-N 304.394 1.765 0 40 DDAB Cc1csc(CCNC(=O)NCc2ccc(C(N)=O)cc2)n1 41219560 QVOXDFNESXBDGI-UHFFFAOYSA-N 318.402 1.592 0 40 DDAB Cc1cc([C@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)on1 52822105 MPROYEIKGFNZJW-CQSZACIVSA-N 317.393 1.512 0 40 DDAB COCCN(CCOC)Cc1cc(=O)oc2cc(C)c(O)cc12 54105861 XMKSORJWTDSFQI-UHFFFAOYSA-N 321.373 1.902 0 40 DDAB Cc1cccc(OC[C@@H](C)NC(=O)NCC(=O)NC(C)C)c1 54612595 AOPVXTAYYGGSJW-CYBMUJFWSA-N 307.394 1.586 0 40 DDAB CCc1ccc(C(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1 86001127 UUIGIQFNWVQRTR-HNNXBMFYSA-N 302.374 1.322 0 40 DDAB COC(=O)c1cc(CN(C)C(=O)[C@@H](NC(C)=O)C(C)C)oc1C 24279528 LHWZAMCSLFQLRI-AWEZNQCLSA-N 324.377 1.494 0 40 DDAB Cc1ccccc1OCCN1CCO[C@H](Cn2cccn2)C1 105920982 YQJCXDOCTMYICE-INIZCTEOSA-N 301.390 1.971 0 40 DDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCSCC1 61721872 HZWXFAHGRQHPEK-UHFFFAOYSA-N 305.359 1.079 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)CSC)cc1 77105336 MMMGQEMOXXLGGQ-LBPRGKRZSA-N 305.421 1.088 0 40 DDAB C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)NC(N)=O 3521253 DUFHCQAPLQRZAP-BYPYZUCNSA-N 306.652 1.358 0 40 DDAB Cc1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)oc1C 107059403 WQXQUGGQSHGXCV-WBMJQRKESA-N 320.393 1.444 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1ccc(C(F)(F)F)nc1 43511021 GJIBTQJYYHYDOB-LLVKDONJSA-N 320.292 1.791 0 40 DDAB COc1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 4995198 VQQRCYPTHOKHOS-UHFFFAOYSA-N 314.407 1.376 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 7304266 SRKLTGHVUADSSL-CYBMUJFWSA-N 317.432 1.159 0 40 DDAB O[C@H]1CCCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 57126764 STTDSHOAGAHDRD-NSHDSACASA-N 313.336 1.892 0 40 DDAB Cc1csc(=O)n1CC(=O)OCC(=O)NCc1ccccc1 8036656 WDIIKWWHZOCMTB-UHFFFAOYSA-N 320.370 1.078 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)c1 8057832 XFYUUOLTOMISKX-UHFFFAOYSA-N 312.435 1.839 0 40 DDAB CCS(=O)(=O)NCCNC1(c2nc(C)cs2)CCCC1 89274498 ABGISFURCKKNEQ-UHFFFAOYSA-N 317.480 1.750 0 40 DDAB CN1CCN([C@H](CNC(=O)[C@@H]2CCCO2)c2cccs2)CC1 36089824 SKWKVZIJXQRISJ-KGLIPLIRSA-N 323.462 1.332 0 40 DDAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(C(N)=O)cc1 84714846 HASIHAPNYOEQJH-BLLLJJGKSA-N 315.417 1.522 0 40 DDAB c1nc(N2CCN(Cc3ccsc3)CC2)c2[nH]cnc2n1 44915580 QIGVZKCITZFYEV-UHFFFAOYSA-N 300.391 1.737 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1ccnc1 44903274 NPPVFSTYMSTGBG-ZDUSSCGKSA-N 302.353 1.932 0 40 DDAB CCc1nn(C)c(CC)c1CNC(=O)NC[C@]1(C)CCCO1 95437696 CQQHOKGPJSWMNO-INIZCTEOSA-N 308.426 1.913 0 40 DDAB CN1N[C@@H](c2cccnc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 170621074 BNLSUSHGDMKRKX-HRCADAONSA-N 322.368 1.127 0 40 DDAB CCCC(=O)N1CCCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 95426457 ZIQWEVVNAVMOLN-INIZCTEOSA-N 317.433 1.417 0 40 DDAB Nc1nc(NCCN2CCOCC2)cc(-c2cccs2)n1 28361832 FCBYWTROAWHIFF-UHFFFAOYSA-N 305.407 1.531 0 40 DDAB CCN(CC)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 45373520 YBYQMHBTQZILKH-OAHLLOKOSA-N 318.421 1.292 0 40 DDAB O=C(O)CN1C(=O)S[C@H](Nc2ccc(Cl)cc2)C1=O 2325742 UBFLNEIKRUVVTP-VIFPVBQESA-N 300.723 1.858 0 40 DDAB CCCC[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100615139 MUPJFAKFYZNFES-UAZQNFISSA-N 303.358 1.683 0 40 DDAB CN(CCNC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1 89346255 QISXQWZZJABGTD-UHFFFAOYSA-N 311.385 1.730 0 40 DDAB COc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C(N)=O)C2)c(OC)c1 46078768 YZFKEDWTJPNPCX-GHMZBOCLSA-N 321.377 1.282 0 40 DDAB C[C@@H]1CCCC[C@H]1OCCN1CCN(CC(=O)N(C)C)CC1 46055951 GCNLHHMHUFVTIM-HZPDHXFCSA-N 311.470 1.288 0 40 DDAB COc1ccnc(N2CCCN(C(=O)c3ccccc3)CC2)n1 29531667 QJTHMXWKGMZSQO-UHFFFAOYSA-N 312.373 1.838 0 40 DDAB CNC(=O)Cn1ccc2ccc(NC(=O)CCN(C)C)cc21 89386292 VUKZBGJRWQMGBE-UHFFFAOYSA-N 302.378 1.278 0 40 DDAB CCCC(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1 20405396 XHEAKEWLKMPJAD-UHFFFAOYSA-N 307.394 1.450 0 40 DDAB Cc1nc(CNC(=O)N(C)Cc2nnc3n2CCC3)cs1 89712458 ICOUDFNJHFCDCV-UHFFFAOYSA-N 306.395 1.331 0 40 DDAB CCCn1c(NC(=O)[C@@H]2CCC(=O)NC2)nc2ccccc21 48362405 QOHSEEJFRQKJRE-LLVKDONJSA-N 300.362 1.911 0 40 DDAB CCCNC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 12868118 HRBRXZXUNCQCGA-VIFPVBQESA-N 316.452 1.747 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 3480349 CDHFWKUOIPBJJX-CYBMUJFWSA-N 303.362 1.064 0 40 DDAB Cc1ccc(-c2n[nH]cc2CNC[C@@H]2CCS(=O)(=O)C2)o1 38083544 QDJJTLLLNFZDEZ-NSHDSACASA-N 309.391 1.502 0 40 DDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCCn2cncn2)c1 75131666 HHBNJIPKWNBFDU-HNNXBMFYSA-N 316.409 1.645 0 40 DDAB COc1ccc2c(C)c(CC(=O)NCC(=O)O)c(=O)oc2c1C 4064269 ZFQDXWCJWKOMDR-UHFFFAOYSA-N 319.313 1.162 0 40 DDAB biogenic COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN(C)C 5091303 ZPUCMJMZESGHEV-UHFFFAOYSA-N 305.334 1.463 0 40 DDAB O=C(NCc1ccccn1)N1CCN(Cc2ccco2)CC1 96305221 OEEZZZYQSKPASU-UHFFFAOYSA-N 300.362 1.702 0 40 DDAB CC[C@](C)(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1 65594881 JXZMLYLWBOMNOI-HNNXBMFYSA-N 308.382 1.201 0 40 DDAB c1nc2c(c(N3CCOCC3)n1)CN(C[C@H]1CCCCO1)CC2 65532755 PZCCRFYOLWHWIT-CQSZACIVSA-N 318.421 1.240 0 40 DDAB O=C1C[C@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1CC1CC1 65608594 FWMFCCCRMXGCPV-LSDHHAIUSA-N 316.405 1.305 0 40 DDAB Cc1noc([C@@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)n1 65610630 SBTUFYIQUWEOOO-LLVKDONJSA-N 305.382 1.862 0 40 DDAB Cc1csc(N2CCN(CC(=O)Nc3cccnc3)CC2)n1 65613406 SPSGMFNTSWDHNB-UHFFFAOYSA-N 317.418 1.607 0 40 DDAB CCN1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 6401938 RCLKMMVBBHPECD-UHFFFAOYSA-N 308.378 1.490 0 40 DDAB in-vivo CC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 4660053 MWZIZCQYFAYRRK-SECBINFHSA-N 308.197 1.498 0 40 DDAB CC(C)C[C@@H](NC(=O)c1ccon1)c1nc(-c2nc[nH]n2)no1 96487140 IQPJKCIEZWFILI-SECBINFHSA-N 317.309 1.360 0 40 DDAB O=S(=O)(Cc1ccccc1)NCCNCc1ccncc1 7094877 HVGIEFDROJJFHZ-UHFFFAOYSA-N 305.403 1.291 0 40 DDAB C[C@@H](O)CCN(C)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 95461427 JUHCHSQPRGQDKW-LLVKDONJSA-N 316.361 1.245 0 40 DDAB Cc1ccccc1OCC(=O)NC[C@@H](C)N1CCN(C)CC1 71867451 VWIVEPFNZZEQCI-OAHLLOKOSA-N 305.422 1.126 0 40 DDAB NC(=O)C1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 71837307 VKISRWZRZGFWNC-KBPBESRZSA-N 305.353 1.589 0 40 DDAB O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1cccc(F)c1 69392571 JMFVDLQCIVBVNW-JKSUJKDBSA-N 305.353 1.457 0 40 DDAB NC(=O)C[C@H]1CCCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 69488487 NTCMFUNJJRNCHM-SNVBAGLBSA-N 324.764 1.939 0 40 DDAB C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccc(NC(N)=O)cc1 69452371 APVXSLYTTXOSHJ-MFKMUULPSA-N 306.366 1.716 0 40 DDAB Cc1nnc2n1CCN(Cc1nc(-c3cccs3)no1)C2 69511373 YAFIKURJMOCZAO-UHFFFAOYSA-N 302.363 1.714 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 69518243 COFMYXWJVPSBTM-AWEZNQCLSA-N 316.405 1.880 0 40 DDAB CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCCCC1 17356807 AFZVYWFVIQUSFD-UHFFFAOYSA-N 323.418 1.275 0 40 DDAB C[C@H](NCC(=O)NCCc1ccsc1)[C@H](C)n1cccn1 69741345 WVTNJTUXBWMZHF-STQMWFEESA-N 306.435 1.843 0 40 DDAB O=C(O)[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl 88373511 WGLPRZRNTCXWMN-SNVBAGLBSA-N 317.700 1.170 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)Cn2cccn2)C1 69870294 VOXJGAPJEVKKFF-DZGCQCFKSA-N 301.394 1.888 0 40 DDAB CNC(=O)[C@@H](NC(=O)Cn1ccnc1C(C)C)c1ccccc1 97053350 JBGSYEJXWNXOAG-HNNXBMFYSA-N 314.389 1.610 0 40 DDAB CCCc1cc(O)n2nc(NC(=O)Cc3ccccc3)nc2n1 9058933 ILSFBZNZKAIDQS-UHFFFAOYSA-N 311.345 1.964 0 40 DDAB COCCN1CCC[C@@H]1CNC1CCN(c2ccccn2)CC1 95967642 LFIDUGXEZNRFPB-QGZVFWFLSA-N 318.465 1.751 0 40 DDAB CC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 72292819 JDWUJJQWNGCLSP-GFCCVEGCSA-N 318.370 1.440 0 40 DDAB O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCCC[C@H]1CCO 95987560 GZSMFSXSYFAJSS-NSHDSACASA-N 319.365 1.511 0 40 DDAB C[C@H]1CN(C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1 72302930 ZOOBSQDCBZLGPD-GOEBONIOSA-N 303.406 1.721 0 40 DDAB Cc1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)o1 72534389 APFGFLSYAVZDHB-CQSZACIVSA-N 320.389 1.832 0 40 DDAB Cc1ncc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)s1 76059239 VASKMOXHNWOPJF-QMTHXVAHSA-N 308.407 1.262 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2cccn2)nn1 70641171 PTFTWZNXCVCHJY-UHFFFAOYSA-N 323.312 1.686 0 40 DDAB COC(=O)[C@@H](Cc1c(C)cc(OC(C)=O)cc1C)NC(C)=O 34426241 IUQVQBCPGJMDKT-OAHLLOKOSA-N 307.346 1.449 0 40 DDAB O=C(Nc1cccc(Cl)c1)C1CN(S(=O)(=O)C2CC2)C1 70838251 HAZDOQKOARIZIY-UHFFFAOYSA-N 314.794 1.703 0 40 DDAB CN(C[C@H]1CCCN(CCN)C1)C(=O)OCc1ccccc1 79411501 LPJBHNSZMSPYGH-MRXNPFEDSA-N 305.422 1.926 0 40 DDAB COc1ccc(C(=O)O)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71283917 YIWQSSJMMPKSQF-QWRGUYRKSA-N 307.302 1.689 0 40 DDAB O=C(O)Cc1cnc(COc2ccc(F)c(Cl)c2)[nH]c1=O 217388350 WSTDPPPTBGPRBG-UHFFFAOYSA-N 312.684 1.769 0 40 DDAB COC(=O)[C@H]1CCCN1Cc1noc(Cc2ccccc2)n1 79311359 YKUGTKLUGADWNW-CYBMUJFWSA-N 301.346 1.798 0 40 DDAB Cc1[nH]c2c(-c3ccccc3)c(=O)[nH]n2c(=O)c1CCC(=O)O 49538564 SWEKWCAWVCDZND-UHFFFAOYSA-N 313.313 1.309 0 40 DDAB CCOc1cc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)ccn1 225513978 FSWYZBYMSILDLP-LBPRGKRZSA-N 300.362 1.625 0 40 DDAB COC(=O)c1ccc(Cl)c(N2C[C@H](C(=O)OC)CC2=O)c1 45953299 ZERGANOFUHUTTO-SECBINFHSA-N 311.721 1.653 0 40 DDAB CCN(CC)CCCN1C[C@H](C)N(S(C)(=O)=O)C[C@@H]1C 225419724 SZZQJDIGWSDDGT-KBPBESRZSA-N 305.488 1.073 0 40 DDAB Cn1nc(CC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c2ccccc21 570930996 AIYASJQRJDEDEA-WBIUFABUSA-N 313.357 1.580 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)N1CCSCC1)O2 40778871 TWMJSJRXNYJQKM-OAHLLOKOSA-N 306.387 1.660 0 40 DDAB Cc1oc(C(=O)N(C)[C@@H](C)c2ccco2)cc1S(N)(=O)=O 88577125 YQAVGDBJGCXENU-QMMMGPOBSA-N 312.347 1.662 0 40 DDAB CC(=O)NC(=S)Nc1cc(C(=O)O)ccc1Br 85342797 YCRYKUVOZQLOSI-UHFFFAOYSA-N 317.164 1.980 0 40 DDAB CC(C)CN1CCN(C(=O)c2ccnc3ccncc23)CC1=O 225443999 XXIHKFLMPUVCIW-UHFFFAOYSA-N 312.373 1.570 0 40 DDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O 514288517 HBJBMGQBMULULU-HRCADAONSA-N 306.406 1.277 0 40 DDAB biogenic,in-vitro COCCN1C(=O)CC[C@@]12CCCN(Cc1nccn1C)C2 96203175 SERQOWKJDGVIFV-MRXNPFEDSA-N 306.410 1.024 0 40 DDAB COC(=O)[C@H](CNC(=O)Cc1cnn(C)c1)c1ccc(F)cc1 192755365 HUKQBISEDWCJNA-CQSZACIVSA-N 319.336 1.175 0 40 DDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1F 96413609 XSMFZKDQXWSNIX-VFZGTOFNSA-N 314.332 1.817 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 97103103 HKQMTNKIUBCSHE-SECBINFHSA-N 323.340 1.618 0 40 DDAB O=C(CN1CCCCC1=O)NC[C@@H](O)c1ccc(Cl)s1 96441148 MGROFERIUSYYFA-SECBINFHSA-N 316.810 1.564 0 40 DDAB O=S(=O)(NCCN[C@H]1CCCSC1)c1cccs1 97370880 IJTQUUCBTVDDDR-JTQLQIEISA-N 306.478 1.512 0 40 DDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1C1CCOCC1 96070195 TZZQBMZJAGSXRQ-GFCCVEGCSA-N 318.421 1.465 0 40 DDAB O=C(c1ccccn1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 96053624 FOTIPPGFGQEGPB-DZGCQCFKSA-N 307.353 1.817 0 40 DDAB CC(C)C(=O)N1CCc2nc(C(=O)N3CCCC3)sc2CC1 96147036 XUXNFAGATPKWON-UHFFFAOYSA-N 321.446 1.962 0 40 DDAB CS(=O)(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 96224596 XBSPOEPQBMEQRT-ZDUSSCGKSA-N 314.432 1.527 0 40 DDAB Cc1nncn1CCNC(=O)[C@@H](C)N1CCc2ccccc2C1 96445321 HADQPQDHTLTDTR-CYBMUJFWSA-N 313.405 1.150 0 40 DDAB C[S@@](=O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1 96434703 DOPIEFRRAXVEEF-NRFANRHFSA-N 310.354 1.511 0 40 DDAB c1cnc(O[C@H]2CCOC3(C2)CN(CC2CCOCC2)C3)cn1 253477981 IMSAGXBMZJGUSP-HNNXBMFYSA-N 319.405 1.515 0 40 DDAB CCc1nccn1CC(=O)N1CCO[C@H](c2nc(C)cn2C)C1 257335328 YJRZSHAIGXQTRY-ZDUSSCGKSA-N 317.393 1.088 0 40 DDAB CN1C(=O)CCC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]21 257242104 IBDFKMMBSMVLRT-DZGCQCFKSA-N 322.430 1.708 0 40 DDAB COc1ccccc1C(=O)N1CCO[C@H](c2nc(C)c[nH]2)C1 257339118 ZAHBILLSMOLQFL-AWEZNQCLSA-N 301.346 1.940 0 40 DDAB Cc1nc2ccc(C(=O)N3CC[C@H](O)[C@]4(CCCO4)C3)cc2[nH]1 257200620 AECHBVDBIKPQRY-RDJZCZTQSA-N 315.373 1.627 0 40 DDAB CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn[nH]c3)C2)c1 257317817 VLGRHXMRCCWRJZ-LLVKDONJSA-N 321.406 1.333 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 257227170 FNZRKKMYXOPJAA-AWEZNQCLSA-N 321.402 1.052 0 40 DDAB CN1CCN(Cc2cc(F)ccc2F)C[C@@H](C(=O)N(C)C)C1 257301939 SAQXMKVITLDTOQ-ZDUSSCGKSA-N 311.376 1.417 0 40 DDAB Cc1cccc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)n1 257221515 DPJSNNKSQMUFJN-BPLDGKMQSA-N 300.362 1.389 0 40 DDAB Cc1ncsc1C(=O)N1CCO[C@@H](Cc2cccnc2)C1 257282943 OVZPONARBVMGGL-ZDUSSCGKSA-N 303.387 1.930 0 40 DDAB O=C(O)[C@@H]1C=C[C@@H](NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1 573426192 NWSQPPFZWUZAEE-YIYPIFLZSA-N 307.371 1.491 0 40 DDAB CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280209 COFPACMGKISEMK-UPJWGTAASA-N 316.323 1.762 0 40 DDAB O=C(C1CCC1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585275430 DSIVWRAZAJWYFB-QGZVFWFLSA-N 307.365 1.758 0 40 DDAB COC(=O)c1cc(N2CC[C@](O)(c3ccc(F)cc3)C2)ncn1 585140263 BAKCBBKKVINKEC-MRXNPFEDSA-N 317.320 1.500 0 40 DDAB Cn1ccc(CN2CCC[C@@](O)(COc3cccc(F)c3)C2)n1 585269289 OHXPVNQFMDUVAW-KRWDZBQOSA-N 319.380 1.965 0 40 DDAB CCN(CC)C(=O)Cn1cc(I)cn1 70679691 CMIIFXNABAZPNP-UHFFFAOYSA-N 307.135 1.356 0 40 DDAB OC[C@@H]1CCCN1C1CCN(c2nccn3nccc23)CC1 1776001894 QJXZRTBPCYFLQH-AWEZNQCLSA-N 301.394 1.155 0 40 DDAB Cc1nccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1 55838978 WNHXULWUPCOKAZ-CQSZACIVSA-N 324.384 1.992 0 40 DDAB CCS(=O)(=O)NCc1ccc(Cn2ccccc2=O)cc1 57018310 UHSKAGQNXTVSPU-UHFFFAOYSA-N 306.387 1.336 0 40 DDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C 11694332 GIVVPSLPCHDLQS-UHFFFAOYSA-N 320.368 1.702 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3[nH]nnc3c2)cc1 12560205 GAONDWWFFSOMED-UHFFFAOYSA-N 323.356 1.977 0 40 DDAB C[C@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1 12624214 WHPDYTSMKIGCFD-TXEJJXNPSA-N 306.362 1.141 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 12808633 ICJDDBZUDDMTDI-UHFFFAOYSA-N 310.350 1.286 0 40 DDAB O[C@@H]1O[C@H]([C@@H]2N[C@@H]2c2cccs2)N2[C@H](c3cccs3)[C@@H]12 256000590 RYUJUWWXTHBUSR-QTHAPFLZSA-N 306.412 1.923 0 40 DDAB Cc1ccccc1-c1noc(CCC(=O)N2CCOCC2)n1 2336765 OGNWOPDICLFIGT-UHFFFAOYSA-N 301.346 1.836 0 40 DDAB CC(C)n1nccc1NC(=O)CN(C)CC(=O)NC(C)(C)C 25926979 OVVDPBHTDUEECW-UHFFFAOYSA-N 309.414 1.249 0 40 DDAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cccn1C 95435715 NNFDUSKLADCRSY-KBPBESRZSA-N 309.410 1.749 0 40 DDAB O=C1CC2(CCN(C(=O)Cc3noc4ccccc34)CC2)CN1 390134245 DQAPISZWYRQZDF-UHFFFAOYSA-N 313.357 1.499 0 40 DDAB CCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713342 CGDNWURHIXHVBI-ZDUSSCGKSA-N 318.421 1.502 0 40 DDAB CCc1ncnc(N2CC[C@@H](Oc3ncc(OC)cn3)C2)c1F 2086884660 DNWCQIVLCRZPEX-SNVBAGLBSA-N 319.340 1.634 0 40 DDAB CCC(C)(C)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 40490361 WNMXFJCQLGMPAC-UHFFFAOYSA-N 316.361 1.338 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)[nH]n2)cc1 40522076 FEBOWLWTRWLLNV-ZDUSSCGKSA-N 312.373 1.784 0 40 DDAB NC(=O)C1CCN(C(=O)c2c(Cl)nc3ccccn23)CC1 40538601 NJOHBXHHTGACCW-UHFFFAOYSA-N 306.753 1.325 0 40 DDAB COc1cc(OC)c2[nH]c(C(=O)NC[C@@H]3CCOC3)cc2c1 40514276 OVKXTYNCVOEGTG-JTQLQIEISA-N 304.346 1.951 0 40 DDAB CCOC(=O)c1ccc(-n2cc(O)c(C(=O)OCC)n2)cc1 102680 IZERRSBYQKFWKA-UHFFFAOYSA-N 304.302 1.931 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccc(F)cc2)C1 20546527 BTDIKYIQRPBSNJ-UHFFFAOYSA-N 318.352 1.317 0 40 DDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc[nH]c1=O 32721224 PQCXUAGQWAZPLZ-CQSZACIVSA-N 315.373 1.925 0 40 DDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cccs1 102396834 IAIDJKISNQWQTJ-BETUJISGSA-N 318.398 1.706 0 40 DDAB CC[C@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O 71328869 SEAFFYSOKRKJIE-IINYFYTJSA-N 317.345 1.012 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CC[C@](O)(C(F)(F)F)C1 78025751 FVOCTWMLVDJKLA-CYBMUJFWSA-N 319.327 1.495 0 40 DDAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(CCO)CC1 78706045 CMEQYCBGNNTRRL-UHFFFAOYSA-N 318.348 1.836 0 40 DDAB CCn1cc(C(=O)NCCn2cc(Br)cn2)cn1 2781526 FBTRZCKUEQLIEN-UHFFFAOYSA-N 312.171 1.292 0 40 DDAB CS(=O)(=O)c1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1 56153091 XKGCWJYEWJCJQM-HNNXBMFYSA-N 318.398 1.406 0 40 DDAB O=C(O)[C@@H]1CS[C@H](c2ccc(O)c(Br)c2)N1 6220251 FKLBPKUONNRYRK-IONNQARKSA-N 304.165 1.943 0 40 DDAB Cc1cc2c(cc1S(N)(=O)=O)Oc1ncccc1C(=O)N2 35326086 LKQAARSXOHMVLF-UHFFFAOYSA-N 305.315 1.395 0 40 DDAB COC(=O)c1c(SCc2ccccc2)nn(C(N)=O)c1N 8205557 KBJFBFIIQVBSMW-UHFFFAOYSA-N 306.347 1.471 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1OC 8475973 COVVKDPIYDMCCE-UHFFFAOYSA-N 312.391 1.276 0 40 DDAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 8476081 HIJMEUIAFODOJO-UHFFFAOYSA-N 314.407 1.523 0 40 DDAB CN(C)C(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 27057808 NXOPAYXVNLDBCQ-VXGBXAGGSA-N 316.357 1.994 0 40 DDAB CCc1nnsc1C(=O)NCCN1CCc2ccccc21 58182930 JLIGDSKVKPUMNO-UHFFFAOYSA-N 302.403 1.893 0 40 DDAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3nncn32)cc1OC 44900546 RXCLUPFHTPSBTB-SECBINFHSA-N 317.305 1.467 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1sccc1-n1cccc1 58366089 MOBPMHNNZZXSBG-LLVKDONJSA-N 303.387 1.937 0 40 DDAB CC(C)NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2)no1 45357620 YNFXXWMHKBDVOA-UHFFFAOYSA-N 323.374 1.176 0 40 DDAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 2619889 ALRXGLBRIYZNQL-INIZCTEOSA-N 303.362 1.982 0 40 DDAB CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OC(C)=O 2772618 ROBPNHSYANFFEK-YHYXMXQVSA-N 324.720 1.844 0 40 DDAB Cn1ccnc1[C@@H](NC(=O)NCCCO)c1ccc(Cl)cc1 47598481 VEZQKHJJKUEESH-ZDUSSCGKSA-N 322.796 1.845 0 40 DDAB CCc1nnsc1C(=O)NCc1ccc(OCCOC)nc1 48261546 APVMAEJEBNLAFM-UHFFFAOYSA-N 322.390 1.451 0 40 DDAB COc1cc(CNc2ccc3nnnn3n2)cc(OC)c1OC 12881893 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O=C(CSc1nnc(C2CCCCC2)o1)N1CCNC1=O 4891605 BHPJFPWBADLDMV-UHFFFAOYSA-N 310.379 1.761 0 40 DDAB O=C(O)CSCC(=O)Nc1ccnn1Cc1ccccc1 6880629 YPMBTTBBEBCBCV-UHFFFAOYSA-N 305.359 1.688 0 40 DDAB CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(C)c(F)c1 95442640 WUCBRIOFNCUCBJ-UHFFFAOYSA-N 316.398 1.710 0 40 DDAB CCNS(=O)(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncccn1 71914599 IQQILBUFZQTFIR-ZDUSSCGKSA-N 324.381 1.491 0 40 DDAB COC(=O)[C@@H](CNS(=O)(=O)N1CCCCC1)CC(C)C 71924115 XDFHQZMQDBJYSK-GFCCVEGCSA-N 306.428 1.142 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1ccc(OC(F)F)cc1 69420538 NHRMIFALVMQVOB-UHFFFAOYSA-N 320.255 1.943 0 40 DDAB COCCNC(=O)[C@H]1CS[C@H](c2ccc(C)cc2)N1C(C)=O 9846081 NXXBVDHKUNIWFG-GDBMZVCRSA-N 322.430 1.720 0 40 DDAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C)NC(N)=O 69815597 QLQGNRTXSUKWGL-SNVBAGLBSA-N 324.356 1.058 0 40 DDAB O=S1(=O)CC[C@@H](N(CCO)Cc2cccc3ccccc23)C1 69870489 UMGJZKMTISOTLT-MRXNPFEDSA-N 319.426 1.821 0 40 DDAB O=C(NCCN1CCC[C@H](C(=O)NCC2CC2)C1)C1CCCC1 84137295 ZDVKFBOQVVUYJF-INIZCTEOSA-N 321.465 1.531 0 40 DDAB CC[C@@](C)(CO)NCCS(=O)(=O)c1cccc(OC)c1 69968364 ANIWSETXKUMGPE-AWEZNQCLSA-N 301.408 1.220 0 40 DDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)CCCOCC(F)(F)F 97000995 VCHUJNZFNVPREL-QMMMGPOBSA-N 317.329 1.037 0 40 DDAB Cc1cc(C(=O)O[C@H](C)C(N)=O)nn1-c1cccc(Cl)c1 97037902 MBPZZQWAGUWEDZ-SECBINFHSA-N 307.737 1.865 0 40 DDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](c3ccn[nH]3)C2)on1 72270661 GQHSMOIUCDVDDW-RYUDHWBXSA-N 303.366 1.913 0 40 DDAB CCC[C@@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnn[nH]1 89949690 ZNWRVNMDNOGISY-SNVBAGLBSA-N 312.337 1.052 0 40 DDAB COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)cc1 72275924 CLXPLLIWVYAMOZ-UHFFFAOYSA-N 307.375 1.957 0 40 DDAB CSCc1ccc(NC(=O)C(=O)NCc2c[nH]nc2C)cc1 97373473 VMKALJHZBFKGKR-UHFFFAOYSA-N 318.402 1.836 0 40 DDAB Cc1ccc(S(=O)(=O)NCCN(C)Cc2ccno2)cc1 72828896 CROOTRWPFVMOGR-UHFFFAOYSA-N 309.391 1.393 0 40 DDAB COCc1nc2n(n1)C[C@H](NC(=O)Nc1cccc(F)c1)CC2 89420423 JCJYOYJAJKKOHE-GFCCVEGCSA-N 319.340 1.700 0 40 DDAB Cc1nnc2n1C1(CCN(Cc3ccco3)CC1)CN(C)C2 306132444 LIYNPJIVWVBBSX-UHFFFAOYSA-N 301.394 1.616 0 40 DDAB O=C(O)C1=NC2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 33837946 SINTYOCGLUYQQO-IYSWYEEDSA-N 318.280 1.783 0 40 DDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)nc(O)n2C 520992363 KJLCOXHUYNGJAA-LBPRGKRZSA-N 303.362 1.920 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccnn2C(C)C)no1 75573044 XSYKJXHDNYXALV-LBPRGKRZSA-N 318.381 1.931 0 40 DDAB Cc1nnsc1C(=O)N1CCN(CC(=O)c2ccco2)CC1 38488377 BXCDNLWGSWPXNX-UHFFFAOYSA-N 320.374 1.080 0 40 DDAB CCn1ncc(N2CCN(c3ncccn3)CC2)c(Cl)c1=O 72242612 AFVXSQTYQQTROP-UHFFFAOYSA-N 320.784 1.033 0 40 DDAB CC(=O)N1CC(C(=O)Nc2nc(-c3cccnc3)cs2)C1 70814754 QUMUZJBUJKVXML-UHFFFAOYSA-N 302.359 1.622 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 79295715 UDWKLXIQBMRJNQ-SECBINFHSA-N 307.778 1.392 0 40 DDAB C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 79404563 GVLDNPVFNOZPCG-WMLDXEAASA-N 301.434 1.989 0 40 DDAB O=C(NC[C@H]1CCCN(C(=O)c2cccnc2)C1)c1ccco1 72324237 GRFVXNXVRACOAE-CYBMUJFWSA-N 313.357 1.957 0 40 DDAB CC(C)N(CCN(C)S(=O)(=O)[C@H]1CCO[C@H]1C)C(C)C 215605802 VELHOIDDAMVEAZ-KBPBESRZSA-N 306.472 1.544 0 40 DDAB COc1ccc(CC2CCN(C[C@@](C)(O)C(=O)O)CC2)cc1 566624844 CNCVNKNIQILSPN-QGZVFWFLSA-N 307.390 1.785 0 40 DDAB O=C(Nc1ccon1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 75163712 LSJJEHHQWMYLRC-UHFFFAOYSA-N 324.222 1.921 0 40 DDAB O=C1C[C@@]2(CCN(C(=O)c3cnc4ccsc4c3)C2)CN1 574971425 NEZNWVHSPJMLCT-HNNXBMFYSA-N 301.371 1.649 0 40 DDAB CCOC(=O)N1CCN(C(=O)COc2ccccc2F)CC1 48089003 NEFJJFKFCIEOSI-UHFFFAOYSA-N 310.325 1.505 0 40 DDAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)c2cnc(C)cn2)O1 225762069 SPGYZFHWSSKCED-ZRJCITRHSA-N 319.361 1.109 0 40 DDAB Cn1[nH]c([C@@H]2CCCN2C(=O)c2ocnc2C2CC2)nc1=N 573618372 MBMIHBAUSBUZIV-VIFPVBQESA-N 302.338 1.070 0 40 DDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cccc(Cl)c1 40386540 KTMAAXIOMXKPEZ-QMMMGPOBSA-N 305.725 1.529 0 40 DDAB CCOC(=O)c1cnc(N(C)[C@H]2CCN(C)[C@@H](C)C2)nc1C 195552775 RMMACSGSSYIEAY-AAEUAGOBSA-N 306.410 1.881 0 40 DDAB CCNC(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96122161 BLNUHXKXRNMEGP-UHFFFAOYSA-N 302.783 1.527 0 40 DDAB O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96187223 QLBFGSPCWPFINH-BZUAXINKSA-N 304.390 1.928 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c(F)c1 96420341 WPUMUKVUCDIIOK-FZMZJTMJSA-N 308.353 1.740 0 40 DDAB Cc1ccc(C[C@H](CNC(=O)c2cnn(C)c2)C(=O)O)cc1 96480548 HSSCCDJNAMNHSE-CYBMUJFWSA-N 301.346 1.402 0 40 DDAB CN(C)S(=O)(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 96428240 ITOWFFUGIWZEKP-NSHDSACASA-N 317.842 1.705 0 40 DDAB FC(F)(F)c1ccc(N2CCN(CC3OCCO3)CC2)nc1 181947502 CJXHHMORZDTQCL-UHFFFAOYSA-N 317.311 1.595 0 40 DDAB COCCCNC(=O)[C@]1(C)CC(c2ccccc2OC)=NO1 96193095 MQGOTIJTSGHDON-INIZCTEOSA-N 306.362 1.731 0 40 DDAB Cc1c(C(=O)NCCOc2ccc(C(=O)O)cc2)cnn1C 538586128 ZWDUUVVTUJWRHN-UHFFFAOYSA-N 303.318 1.236 0 40 DDAB c1cnc(N2C[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3C2)nc1 96182368 SRFWLPWTVOQICM-GASCZTMLSA-N 324.384 1.774 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)C3CCC3)C[C@H]21 96081738 BBBDGYHNVXKXOS-CVEARBPZSA-N 319.405 1.503 0 40 DDAB COC[C@@H]1CN(C(=O)c2cccnc2OC)Cc2cncn21 247909322 XXTIGMCYIWNINK-LBPRGKRZSA-N 302.334 1.130 0 40 DDAB Cc1cc2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)ccn2n1 257246765 IVTKXVSOKVRIFV-HNNXBMFYSA-N 324.388 1.988 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)COc2cccnc2)C1 257242582 IDFHMABABWXXJX-AWEZNQCLSA-N 314.389 1.973 0 40 DDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccncn1 257214063 CKIUMVARBCUQCO-CYBMUJFWSA-N 313.361 1.049 0 40 DDAB CNc1nccnc1[C@@H]1CN(C(=O)c2coc(C)n2)CCO1 257301851 SAFMJUNVGUXJBC-NSHDSACASA-N 303.322 1.028 0 40 DDAB Cc1n[nH]cc1CN1CCO[C@@H](c2nccnc2N(C)C)C1 257273560 NHCXAMPVXSAOSO-CYBMUJFWSA-N 302.382 1.148 0 40 DDAB CSC[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)cc1 281774897 ZTQWHOPWELOJRC-LLVKDONJSA-N 314.432 1.302 0 40 DDAB O=C(Nc1cc(-n2cccn2)ncn1)c1ccc2nsnc2c1 90614165 MINXOQXDWWNABZ-UHFFFAOYSA-N 323.341 1.919 0 40 DDAB C[C@H](NC(=O)C(=O)NCC[C@@H](O)c1ccoc1)c1ccccc1 90613187 KUEMQBHOFUGXMU-SWLSCSKDSA-N 316.357 1.697 0 40 DDAB CON(C)C(=O)CCNC(=O)c1ccc(Br)cc1 17793023 WVSNBBKWYWIXHW-UHFFFAOYSA-N 315.167 1.589 0 40 DDAB Cn1cnc(C(=O)N2CCN(CC3CC3)c3ncccc3C2)n1 585113276 CJOXEFKBQFLUDY-UHFFFAOYSA-N 312.377 1.083 0 40 DDAB OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ncccc1F 585293294 UFYLKDNWKCNTGT-KBRIMQKVSA-N 302.349 1.542 0 40 DDAB C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 57098033 VJKUZGDEBLOFHN-VXGBXAGGSA-N 308.353 1.581 0 40 DDAB CC(C)c1ncc2c(n1)CN(CC(=O)NC1CCOCC1)CC2 75133562 KHUZIKOWGJWCNE-UHFFFAOYSA-N 318.421 1.253 0 40 DDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCCCCC1 40467408 NJKSPFRCKLTBHC-UHFFFAOYSA-N 315.377 1.655 0 40 DDAB COCCN(CCCc1ccccc1)C(=O)c1nccnc1N 78726941 PEQBWLXPWOURNL-UHFFFAOYSA-N 314.389 1.780 0 40 DDAB CN(C)CCNC(=O)c1cccc(I)c1 42200325 OKVJRGIDRVJCRY-UHFFFAOYSA-N 318.158 1.583 0 40 DDAB Cc1nc(C)c(F)c(N2CCN(c3ncc(F)cn3)CC2)n1 680530257 DBVGYYKMVBTPRL-UHFFFAOYSA-N 306.320 1.488 0 40 DDAB Cc1cc(C(=O)NCC2(O)CSCCSC2)c(C)o1 1888844681 YARLMRVVOBVHQU-UHFFFAOYSA-N 301.433 1.837 0 40 DDAB Cc1ccccc1C[C@@]1(CO)CN(C2CCOCC2)CCO1 1615142682 TVRGIDSCXKYVHO-SFHVURJKSA-N 305.418 1.780 0 40 DDAB O=C(COC(=O)c1cnccn1)Nc1ccc2c(c1)OCCO2 11476280 OXSUNLQJOAGSDB-UHFFFAOYSA-N 315.285 1.043 0 40 DDAB CCN1C(=O)NC2(CCN(C(=O)c3ccccc3F)CC2)C1=O 11612481 VSTKVNBBONFOAM-UHFFFAOYSA-N 319.336 1.372 0 40 DDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccncc3)C[C@H]21 12133950 FWGWAUHHTAEKBO-OCCSQVGLSA-N 310.357 1.275 0 40 DDAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 16188572 BLYJXNAZIZJWAU-AWEZNQCLSA-N 310.419 1.317 0 40 DDAB CCS(=O)(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19520241 PMDFIKJJYIKNOC-UHFFFAOYSA-N 319.386 1.117 0 40 DDAB CCn1nccc1C(=O)N1CCC(CC(=O)NCC2CC2)CC1 19748439 HNWDBRQVQQCQLV-UHFFFAOYSA-N 318.421 1.672 0 40 DDAB Cc1ccc(C)c(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C2=O)c1 19765593 MFKLKYQIMGMMDR-ZYHUDNBSSA-N 322.386 1.080 0 40 DDAB O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C[C@@H]2[C@@H]2C(/C=C/c3ccccc3)=NO[C@H]12 5321736 HZIOIEWYGVMUJR-ZGJTVIAUSA-N 308.337 1.609 0 40 DDAB COc1cc(CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)ccc1C 517584472 UZFNYGCKDVHKNR-ZDUSSCGKSA-N 301.394 1.882 0 40 DDAB O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CC[C@H](C(=O)O)O1 563622458 GUIRHIDKXVPDSG-IUYQGCFVSA-N 311.241 1.128 0 40 DDAB Cc1nsc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n1 1888853198 RKIBACBHKIXEIQ-UHFFFAOYSA-N 320.422 1.461 0 40 DDAB Cc1noc(-c2cccn3c(=O)n(Cc4ccccc4)nc23)n1 1889013900 JGVJHQAIXBCRON-UHFFFAOYSA-N 307.313 1.903 0 40 DDAB CN(c1ccccn1)C1CCN(Cc2nnc3n2CCC3)CC1 1889082747 OFJKIRKENWYWFE-UHFFFAOYSA-N 312.421 1.720 0 40 DDAB Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1 244983868 IUONKSCGMRUUDI-UHFFFAOYSA-N 316.361 1.873 0 40 DDAB CC(C)(C)C(=O)NC1CCN(c2ccc3nncn3n2)CC1 2087122282 VAFMHWPRHFGZTO-UHFFFAOYSA-N 302.382 1.255 0 40 DDAB CCc1cc(N2CC[C@H](Oc3ncc(OC)cn3)C2)ncn1 2086884543 IBJQINDXHHCSLA-LBPRGKRZSA-N 301.350 1.495 0 40 DDAB O=C(c1ccc(Cl)cc1)N1CC(CN2C(=O)CCC2=O)C1 618255536 DYGUWYRSUBGVAN-UHFFFAOYSA-N 306.749 1.561 0 40 DDAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)C1CCC1 19346722 HFVBFVVSXCEBSF-ZDUSSCGKSA-N 313.405 1.425 0 40 DDAB O=C(Cc1ccc(Br)cc1)N1CC(n2nccn2)C1 888106955 HMOPFOSFKCHBBQ-UHFFFAOYSA-N 321.178 1.667 0 40 DDAB COC(=O)/C=C(/Nc1ccccc1C(=O)O)C(=O)NC(C)C 12321164 GOKIKEZTGJAFFU-XYOKQWHBSA-N 306.318 1.378 0 40 DDAB CCCCn1c(N)c(N(C)C(=O)C[C@H]2C=CCC2)c(=O)[nH]c1=O 40463222 VNSPHSQNQMJHES-NSHDSACASA-N 320.393 1.238 0 40 DDAB O=C(NCCCN1CCOCC1)c1cc(C(=O)C2CC2)c[nH]1 20405824 DGKRHVWAFCMQPU-UHFFFAOYSA-N 305.378 1.060 0 40 DDAB Cc1ccc(NCC(=O)N(C)CC(=O)NC2CC2)c(Cl)c1 21698418 XUZGFXGIVPWOGV-UHFFFAOYSA-N 309.797 1.797 0 40 DDAB CCN1C(=O)C[C@@H](Nc2ccc3c(c2)CCN3C(C)=O)C1=O 103022412 RFLFGRQLAJHOKE-CYBMUJFWSA-N 301.346 1.155 0 40 DDAB COc1ccccc1OCC(=O)Nc1ccccc1C(N)=O 580774 QAHGTLVDQOLPRS-UHFFFAOYSA-N 300.314 1.812 0 40 DDAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)CCC(=O)N2 53801916 NSNGUZDZDQMBFP-JTQLQIEISA-N 311.341 1.751 0 40 DDAB CCOc1ccccc1C(=O)NCC(C)(C)N1CCN(C)CC1 42541444 CQXHWZUAIQUGPU-UHFFFAOYSA-N 319.449 1.841 0 40 DDAB COC(=O)[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(C)C 61718631 IXCSDJRVSQFAFA-LBPRGKRZSA-N 304.350 1.138 0 40 DDAB Cc1cc(C)n(CCC(=O)NCc2cccnc2-n2cccn2)n1 24792546 AKWXEVCYRIINCW-UHFFFAOYSA-N 324.388 1.787 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n[nH]1 78901974 PXXVUBYFMCSGIW-CQSZACIVSA-N 314.389 1.676 0 40 DDAB CCC1(CC)NC(=O)N(CC(=O)O[C@H]2C[C@H]3CC[C@H]2C3)C1=O 107324895 VYCHPJCODMGTJN-SRVKXCTJSA-N 308.378 1.829 0 40 DDAB Cc1cc(-c2noc(CCC(=O)N[C@@H](C)C(N)=O)n2)ccc1F 57444210 LATBTCPQPZMZMN-VIFPVBQESA-N 320.324 1.107 0 40 DDAB CC(C)OC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 1892782 LYLJYPFLCULSNA-UHFFFAOYSA-N 307.375 1.683 0 40 DDAB Cc1nc(NC(=O)[C@H](C)N(C)CC(=O)NC(C)C)sc1C 26906922 GAAZDSVMDWUBEK-JTQLQIEISA-N 312.439 1.543 0 40 DDAB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=S)N1 8718067 LEOOCOQMMAMVLQ-CYBMUJFWSA-N 320.370 1.196 0 40 DDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)cc1Cl 44556433 RVTQHXCYRIDITR-SNVBAGLBSA-N 318.826 1.851 0 40 DDAB CN(C)C[C@H](O)COc1ccc(NC(=O)Nc2cn[nH]c2)cc1 58026633 ZTHISJFHUZKZHJ-ZDUSSCGKSA-N 319.365 1.355 0 40 DDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccccc1 58158337 MKKUGQXRBPXYBQ-TZMCWYRMSA-N 304.346 1.243 0 40 DDAB COc1cc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)ccc1C 10269181 VMEVMFQGMBJWTG-QGZVFWFLSA-N 312.369 1.889 0 40 DDAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nncs1 44919712 MGDOHFSOALBGQT-SECBINFHSA-N 317.330 1.267 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1 44967641 JANIXONKUWXSFL-HNNXBMFYSA-N 324.425 1.481 0 40 DDAB CC(C)N(C)S(=O)(=O)NC[C@H]1CCN(c2ccccc2)C1 44937408 BECPFLGXVJYCSZ-CQSZACIVSA-N 311.451 1.688 0 40 DDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1cccc(F)c1)N(C)C 44937184 RSURLOKEOWZUFD-AWEZNQCLSA-N 317.430 1.603 0 40 DDAB Cc1cccc(OCCNC(=O)NCCCS(C)(=O)=O)c1 44980032 RVLDFQWALDRJGQ-UHFFFAOYSA-N 314.407 1.108 0 40 DDAB COc1ccc(N(CCC(N)=O)C(=O)c2cccc(C)n2)cc1 44907273 MPNXXMALNYNPMR-UHFFFAOYSA-N 313.357 1.921 0 40 DDAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccn(C)c(=O)c3)cn2)n1 44918753 CNQKTSSFEYJWEG-UHFFFAOYSA-N 323.356 1.835 0 40 DDAB CCOCC(=O)Nc1ccc(C(N)=O)cc1Br 95394714 KZINSRWWRRAMBB-UHFFFAOYSA-N 301.140 1.523 0 40 DDAB O[C@@H](CNC[C@@H]1CNc2ccnn2C1)c1ccc(F)cc1F 58307286 BRXKJUJSJKYJJY-YGRLFVJLSA-N 308.332 1.526 0 40 DDAB CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C)c1 36350864 QFQXAVJADGWFDW-GFCCVEGCSA-N 310.419 1.999 0 40 DDAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC[C@@H](C(N)=O)C1 12525009 TVGULLINNCHXAV-QWHCGFSZSA-N 318.421 1.277 0 40 DDAB Cn1ccnc1[C@@H]1CCCN1C(=O)CCNC(=O)OC(C)(C)C 95456706 FJIVYFDWJUYVIW-LBPRGKRZSA-N 322.409 1.998 0 40 DDAB CCCn1c(SCC(=O)N(C)Cc2ccccc2)n[nH]c1=O 12686538 LAJTVIRICPGOJY-UHFFFAOYSA-N 320.418 1.732 0 40 DDAB COC(=O)c1cc(CN(C)S(=O)(=O)N(C)C(C)C)oc1C 48234190 ZBVJPGQGZQGIBK-UHFFFAOYSA-N 318.395 1.391 0 40 DDAB COc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 12789464 BDMITGALOXQBET-LLVKDONJSA-N 316.409 1.721 0 40 DDAB CC(=O)N[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)C(C)C 12976177 BKAQAIQXIXYSHA-CVEARBPZSA-N 304.390 1.747 0 40 DDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc(C)s1 95452250 FFNMXZVRQDJAAN-UHFFFAOYSA-N 315.424 1.506 0 40 DDAB CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)NC(=O)c1ccoc1 63489754 UAUNDVBRQPWNGY-GFCCVEGCSA-N 324.377 1.446 0 40 DDAB Cc1c(CCC(=O)NCC(=O)O)c(=O)oc2c(C)c(O)ccc12 4063293 GDSJWQGWCGGMOX-UHFFFAOYSA-N 319.313 1.249 0 40 DDAB biogenic COc1ccc(-c2noc(CNC(=O)C3CC3)n2)cc1OC 9305866 GLBAQHXBJJCBEN-UHFFFAOYSA-N 303.318 1.780 0 40 DDAB NC(=O)OCCNC(=O)c1cc(Br)ccc1F 95460248 TUFPTCHDAWKXKB-UHFFFAOYSA-N 305.103 1.413 0 40 DDAB Cc1csc([C@@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)n1 95436895 DZDOJCZWHZHYOS-ZYHUDNBSSA-N 322.434 1.965 0 40 DDAB CCCCN(CC(N)=O)C(=O)/C=C/c1cnc2ccccc2n1 65462610 GMIHDGPGNNAUKI-CMDGGOBGSA-N 312.373 1.757 0 40 DDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(Cl)cc1 66365915 SADWQANRYJEFCF-JTQLQIEISA-N 319.810 1.610 0 40 DDAB Cc1noc(C)c1CNS(=O)(=O)Cc1ccc(Cl)nc1 71792476 WOEIHVMXPXICCK-UHFFFAOYSA-N 315.782 1.959 0 40 DDAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(N)=O 5786029 BLZFFXJSKOCGJV-ONGXEEELSA-N 324.764 1.106 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccccc2)N1 4854636 LFXHVTFJXRXTIK-IUODEOHRSA-N 313.357 1.316 0 40 DDAB CS(=O)(=O)NCCNC(=O)C1CCC(c2ccccc2)CC1 96430532 SWGAIMMMJZMFIU-UHFFFAOYSA-N 324.446 1.626 0 40 DDAB COC(=O)CCN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 7199976 HSZOFNUQVBPBFT-CQSZACIVSA-N 310.737 1.670 0 40 DDAB COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1cccn1C 7635575 BWBVFMHMKMEAGR-LBPRGKRZSA-N 316.357 1.895 0 40 DDAB CCOCCCC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 95427595 LNMZKHYIKLIKRW-UHFFFAOYSA-N 306.410 1.559 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C)n(C)c2=O)C1 71870604 FWAOJRRBNDKQNM-CQSZACIVSA-N 314.389 1.676 0 40 DDAB CCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)c(C)nn(C)c1=O 71883004 SQGXKARGALVUNB-AWEZNQCLSA-N 321.421 1.818 0 40 DDAB CC(C)c1nn(C)cc1C(=O)N1CCN(c2ncccn2)CC1 71818546 UNNRIASDXPSBFO-UHFFFAOYSA-N 314.393 1.296 0 40 DDAB COCCOCC(=O)N1CCN(c2ccccc2OC)CC1 69323123 ACLURKMFHIXDES-UHFFFAOYSA-N 308.378 1.007 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 8394131 FHMLSCGQINODKG-RYUDHWBXSA-N 310.419 1.713 0 40 DDAB Cc1cscc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 94195650 RNSYVZHYRHOWRP-UHFFFAOYSA-N 324.427 1.676 0 40 DDAB CCOC(=O)[C@@](NCc1cccnc1)(NC(C)=O)C(F)(F)F 19938856 FCXFKPVSCMSTSG-GFCCVEGCSA-N 319.283 1.129 0 40 DDAB CN(C)c1ncccc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69535609 GSSKUQWHGAZJFJ-CABCVRRESA-N 302.422 1.846 0 40 DDAB O=C(NCCCc1nc[nH]n1)[C@@H]1CCCN1Cc1ccccc1 71916627 MRRVTBKZLONNGS-HNNXBMFYSA-N 313.405 1.518 0 40 DDAB CC[C@@H]1CCCCN1C(=O)CNCC1CCN(CCO)CC1 69627857 SEZGDLKUZUXDHN-MRXNPFEDSA-N 311.470 1.071 0 40 DDAB NC(=O)[C@H]1CCCN1c1cc(N2CCc3ccccc3C2)ncn1 69664780 ZWJMDJABAANVAR-OAHLLOKOSA-N 323.400 1.493 0 40 DDAB CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 69740056 HDGPAXOHUSBQFK-FZMZJTMJSA-N 324.402 1.119 0 40 DDAB O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cccnc1 69780498 PBVDZUPACBRUDY-OAHLLOKOSA-N 321.340 1.915 0 40 DDAB O=C(COCC1CC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69968753 SNSOKXCZVILIKJ-KRWDZBQOSA-N 318.417 1.291 0 40 DDAB Cc1ncc2c(n1)CN(CC(=O)N(C)Cc1ccsc1)CC2 72276639 YQXNRNHJAIEMPG-UHFFFAOYSA-N 316.430 1.863 0 40 DDAB CC[C@@H]1C[C@H](C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CCO1 97147009 JDWBGEUNEYSTNS-BNOWGMLFSA-N 308.353 1.674 0 40 DDAB CCCN(C)C[C@H]1CCN(C(=O)Nc2cnn(CCOC)c2)C1 72302948 KCKFALMUKMGWFA-CQSZACIVSA-N 323.441 1.725 0 40 DDAB CN(C(=O)c1ccc[nH]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 85404316 KUCUVWIHSGKVGE-CQSZACIVSA-N 311.341 1.414 0 40 DDAB O=C(CSc1cn[nH]n1)Nc1cccc(N2CCCC2=O)c1 97227370 BBWPNXQDMQNBEL-UHFFFAOYSA-N 317.374 1.662 0 40 DDAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)NC[C@@H]1CCOC1 76047472 CKVMXQLHJWMLGM-WCQYABFASA-N 320.393 1.237 0 40 DDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cnn(C(C)C)c2)C1 76058475 LITUQZCQAGYHIA-WCQYABFASA-N 300.428 1.083 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1CCCN(c2cnccn2)C1 32801629 XLOJWGVWSFFAIW-MJBXVCDLSA-N 304.394 1.329 0 40 DDAB CN1CCOC[C@H]1C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 554085901 DDJQRDWDXIMGOH-QMMMGPOBSA-N 321.299 1.375 0 40 DDAB C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)[C@H]1C(=O)O 547923031 PFTGOVJADZIAID-NOZJJQNGSA-N 311.359 1.201 0 40 DDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncc(F)cn2)C1 548334191 QZZSHAOQTGNZAK-AWEZNQCLSA-N 321.381 1.622 0 40 DDAB c1cnc(N2CCN(C3CCC4(CCNCC4)CC3)CC2)cn1 67947501 ZEEKHMPYULNZMV-UHFFFAOYSA-N 315.465 1.911 0 40 DDAB CC(C)C[C@H](C)OCCC(=O)N=c1ccn([C@@H]2CCNC2)[nH]1 548672955 UCPVGTWMSDLPET-UONOGXRCSA-N 308.426 1.619 0 40 DDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)[C@H]1CCOC1 238845868 IHTSUWCQBOSMBD-GUYCJALGSA-N 305.374 1.372 0 40 DDAB OCCN1CCC(Cc2nccnc2Nc2ccccn2)CC1 72363462 RBIYUUAYDPBBPY-UHFFFAOYSA-N 313.405 1.862 0 40 DDAB NC(=O)COc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1 36354532 AMHMQHZNWBFQJY-SECBINFHSA-N 318.358 1.713 0 40 DDAB CC(=O)CSc1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO1 36631411 USIVGOLSZRBRSU-LBPRGKRZSA-N 321.406 1.539 0 40 DDAB CC(C)Cn1ncnc1CN[C@H](C)c1nnc2n1CCCC2 120120309 FNBXNOQADMBZGV-GFCCVEGCSA-N 303.414 1.713 0 40 DDAB CCN(Cc1ccccc1I)C(=O)CN 79420825 UUTKTUYFJFIFTC-UHFFFAOYSA-N 318.158 1.598 0 40 DDAB C[C@H](C(=O)NCc1ccccn1)n1cc(Br)cn1 32611628 INVLTGFREPCIOW-SECBINFHSA-N 309.167 1.918 0 40 DDAB COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H]3C(N)=O)c2c1 79046911 KEKPXJZBPBHHPL-CQSZACIVSA-N 301.346 1.195 0 40 DDAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2C(N)=O)C1 73850124 JIGSZQPIEQHJDZ-CHWSQXEVSA-N 324.384 1.902 0 40 DDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 72239389 HTXGFTXJQBUSBZ-WFASDCNBSA-N 321.446 1.432 0 40 DDAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C=O)CC1 44841687 NIYIWGHWMLESKM-HNNXBMFYSA-N 304.390 1.761 0 40 DDAB COCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972661 FRDMHSHFIMZUSD-UHFFFAOYSA-N 320.798 1.112 0 40 DDAB O=C(NC1CC1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223353518 AUENGVRVTAGBLV-LBPRGKRZSA-N 302.330 1.185 0 40 DDAB COc1ccc(S(=O)(=O)N(C)CCn2cccn2)c(F)c1 195579939 MBVUIBGKPHLPAI-UHFFFAOYSA-N 313.354 1.352 0 40 DDAB Cc1csc(CN2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)n1 570506955 VDPMHIIRRQPODX-GFCCVEGCSA-N 314.418 1.603 0 40 DDAB CCN(CC)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 63735664 OOFUUVIFGRREIH-UHFFFAOYSA-N 314.389 1.623 0 40 DDAB C[C@@H](NC(=O)Cn1ccnc1S(C)(=O)=O)c1ccccc1 81272614 BJQVPDMCMGCESH-LLVKDONJSA-N 307.375 1.164 0 40 DDAB Cn1nccc1CNC(=O)Nc1cccc(OCC(F)F)n1 133687165 MLJAWKDUIRZDSN-UHFFFAOYSA-N 311.292 1.781 0 40 DDAB CNC(=O)Cc1csc(NC(=O)CCc2c(C)noc2C)n1 44442938 WYTCGRYSTIXNHW-UHFFFAOYSA-N 322.390 1.608 0 40 DDAB Cc1nc(O)c(C(=O)NCc2cc[nH]n2)cc1Br 195570923 MQVYRLCSYIKCPJ-UHFFFAOYSA-N 311.139 1.511 0 40 DDAB CCc1nc(C[S@@](=O)c2ccc3c(c2)OCCCO3)n[nH]1 194506476 AVAQAPNRQYZKEO-OAQYLSRUSA-N 307.375 1.836 0 40 DDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N)C2)c(Br)c1 50242082 GULRENMMZOXTEK-VIFPVBQESA-N 319.224 1.479 0 40 DDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccoc3)CCO2)C1 96049741 XBPOMKALQUYXRW-MRXNPFEDSA-N 308.378 1.231 0 40 DDAB CCn1nc(C)c(CNC(=O)NC[C@@](C)(O)c2ccco2)c1C 96439906 XWAYUXHUSWVHBA-MRXNPFEDSA-N 320.393 1.820 0 40 DDAB Cc1ccc([C@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1 95534126 ORKIQEZXHYGALF-HNNXBMFYSA-N 301.394 1.036 0 40 DDAB NC(=O)c1cccc(CCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 96439719 JAXHVZIZNITYDD-IYBDPMFKSA-N 313.401 1.936 0 40 DDAB CN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CO2 96221917 ZRVVAMWQZZLOCM-OAHLLOKOSA-N 324.446 1.832 0 40 DDAB CN(C)CC(=O)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 96239256 DBLZGZJQOXGSHV-OAHLLOKOSA-N 307.419 1.265 0 40 DDAB CNc1ncnc2ncn(CCS(=O)(=O)c3ccccc3)c12 96407756 KHFLLWFCFOCPDJ-UHFFFAOYSA-N 317.374 1.342 0 40 DDAB CC(C)c1cc(C(=O)N[C@H](CO)Cc2ccccc2)n(C)n1 95980993 KWSWVNWBYCKTLX-AWEZNQCLSA-N 301.390 1.877 0 40 DDAB O=C1C[C@H]2[C@@H](CCN2CC2CCOCC2)N1Cc1cccnc1 96184015 VPDXJQAUQHMBLO-SJORKVTESA-N 315.417 1.683 0 40 DDAB O=C(Cn1cc(NC(=O)NCC2CCC2)cn1)NC1CCCC1 96447189 VPZIPBDMKLGEKL-UHFFFAOYSA-N 319.409 1.864 0 40 DDAB O=C(c1ccoc1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96050802 LUCKAMPXDACIRN-QGZVFWFLSA-N 311.341 1.944 0 40 DDAB Cc1noc([C@@H](NCc2nnnn2-c2ccccc2)C(C)C)n1 96493163 FWMALWWMQACDAD-AWEZNQCLSA-N 313.365 1.841 0 40 DDAB O=C(c1ccncc1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96072262 KOMCCKCZMHLXPS-WBVHZDCISA-N 302.374 1.882 0 40 DDAB CCC[C@H](NC(=O)Cn1ncn(C)c1=O)c1ccc(Cl)cc1 97233835 QYDXBIRELKRRMI-ZDUSSCGKSA-N 322.796 1.893 0 40 DDAB Cc1cnc(N2CCC3(CC2)CC(N2CCOCC2)C3)nc1 96159235 GMAKYXUCYGXLNI-UHFFFAOYSA-N 302.422 1.866 0 40 DDAB CCc1ccc(CN2C[C@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)o1 96185020 INXKWJOOHCQLQU-XHSDSOJGSA-N 322.405 1.146 0 40 DDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cn1 95471360 DSNMWBMGROPAJD-GFCCVEGCSA-N 316.336 1.546 0 40 DDAB COc1c(C(=O)Nc2cc(C)on2)nnn1Cc1ccccc1 96183329 SSHKMIZGDGGIIP-UHFFFAOYSA-N 313.317 1.884 0 40 DDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)N(C)C)C2)CC1=O 96239405 YLVZIKBFKYPXRO-INIZCTEOSA-N 320.393 1.397 0 40 DDAB Cc1noc([C@@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@H]3O2)n1 96042973 AYDUBTUTIDKGSV-SOUVJXGZSA-N 307.394 1.957 0 40 DDAB C1C[C@H](C2OC([C@H]3CCOC3)OC([C@H]3CCOC3)O2)CO1 245227858 WUUWFOUZAJPQLX-ZZOOMADFSA-N 300.351 1.138 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCO[C@@H](c2ccncc2)C1 257276105 NSJYJHFHQZEJSY-OAHLLOKOSA-N 317.389 1.384 0 40 DDAB O=C(CCn1ccnc1)N1CCC(c2ccn3nccc3n2)CC1 257337797 YULIUYYHGYOLJM-UHFFFAOYSA-N 324.388 1.722 0 40 DDAB COCc1c(C(=O)N2CCC[C@H](c3ccncn3)C2)noc1C 257340679 ZHDSYSSGQRDPAM-LBPRGKRZSA-N 316.361 1.939 0 40 DDAB CNc1ncccc1CN1CCC[C@H](Cc2nccnc2N)C1 257337324 YSIYUPHXYBCVHQ-CYBMUJFWSA-N 312.421 1.950 0 40 DDAB Cc1nc(=O)n(C(C)C)c(=O)n1NC(=O)OCc1ccccc1 255190020 UKYHYLBIICOTRL-UHFFFAOYSA-N 318.333 1.175 0 40 DDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257267421 MHGHEBHRZWDETL-OAHLLOKOSA-N 312.373 1.889 0 40 DDAB Cc1cnc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)s1 257251593 JRKKDWHXIPFHEE-LBPRGKRZSA-N 307.419 1.780 0 40 DDAB CC(=O)N1CCCN(Cc2ccnc([C@@H]3CCCO3)n2)CC1 257220080 DJLGRIFMERSEGX-HNNXBMFYSA-N 304.394 1.382 0 40 DDAB COC(=O)c1ccc(C(=O)N[C@H](Cn2cncn2)C(C)C)cc1 575616282 JLEUQDORWDZNRA-CQSZACIVSA-N 316.361 1.519 0 40 DDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](N2C(=O)CNC2=O)C1 575608237 XCTVOSJRVNYTJX-LBPRGKRZSA-N 321.764 1.035 0 40 DDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1O 585280561 KLZQWTDLDAUBDT-ZACQAIPSSA-N 316.401 1.189 0 40 DDAB O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1ccc(F)cc1 585283587 SAYNCHVDOSJNNS-IRXDYDNUSA-N 309.381 1.945 0 40 DDAB COc1c([C@@H]2CCCN2CC(=O)N2CCCCC2)c(C)nn1C 72253673 JMXCVGVWZGYWNT-AWEZNQCLSA-N 320.437 1.887 0 40 DDAB CC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C 44888960 RVTKKKMIISEESS-DLBZAZTESA-N 317.433 1.538 0 40 DDAB COCC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 49246779 HXIFOZZTUPPUKU-UHFFFAOYSA-N 314.744 1.410 0 40 DDAB Cc1nc(CC(=O)N2CCN(Cc3cscn3)CC2)cs1 55434939 GCJAPOZACUFPLZ-UHFFFAOYSA-N 322.459 1.795 0 40 DDAB Cc1cccc2nc(CNC(=O)N[C@H]3CCCC[C@H]3CO)cn12 81494466 IMHQMEGTLOGERV-ZFWWWQNUSA-N 316.405 1.993 0 40 DDAB CS[C@H](CO)[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 95427415 FJSBSOHTOGNVHW-IONNQARKSA-N 308.325 1.943 0 40 DDAB O=S(=O)(Cc1ccccc1Cl)N1CC(N2CCCC2)C1 1260692994 NJQDDLNYUDSRJR-UHFFFAOYSA-N 314.838 1.950 0 40 DDAB CCC[C@H]1OC[C@@H]2O[C@@H](Nc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O1 5486478 UZXLTPMMECHNLB-RWHKXBQASA-N 309.362 1.087 0 40 DDAB O=C(Cn1nc(-c2cccc3ncccc23)oc1=O)N1CCCC1 12117140 OKIQVNYGNGGTIQ-UHFFFAOYSA-N 324.340 1.674 0 40 DDAB O=C(Nn1cnnc1)c1ccc(NC(=O)c2ccccc2O)cc1 14405809 XOXFQTKOWMOWEP-UHFFFAOYSA-N 323.312 1.620 0 40 DDAB CNS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 15563449 YXDUZPAPJNXZGX-UHFFFAOYSA-N 316.382 1.798 0 40 DDAB Cc1cccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)c1C 16644639 GEMFGRKETTXVRU-UHFFFAOYSA-N 311.385 1.954 0 40 DDAB Cc1cc2nc([C@H](C)NC(=O)C[C@H]3CCCO3)cc(O)n2n1 19129712 XSTWQEVPYOQMCQ-WDEREUQCSA-N 304.350 1.490 0 40 DDAB Cc1ccccc1CNc1nc([C@@H]2CC(=O)N(C)C2)cc(=O)[nH]1 19237277 XKRPBHPVNMBZCR-CYBMUJFWSA-N 312.373 1.636 0 40 DDAB CCC(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 19498495 FKNKYLNGYLOISE-ZDUSSCGKSA-N 315.421 1.719 0 40 DDAB COCC(=O)N1CCC[C@H](c2ncc3c(n2)CCCC3=O)C1 19700878 AFKCSKWSSFIUBX-NSHDSACASA-N 303.362 1.348 0 40 DDAB O=C(NCc1nnnn1-c1ccc(F)cc1)C1CCCCC1 9570998 IIFUCZCGIBEKME-UHFFFAOYSA-N 303.341 1.998 0 40 DDAB CN1C[C@@H](CN2CCC[C@@H](COc3ncccn3)C2)CC1=O 1848967438 DANFDOZTMLOZAO-KGLIPLIRSA-N 304.394 1.046 0 40 DDAB CCNC(=O)CCCNS(=O)(=O)c1ccc(C(C)=O)cc1 6083692 DDZJWMRESILAKV-UHFFFAOYSA-N 312.391 1.084 0 40 DDAB C[C@@H](Sc1nnc(N)s1)C(=O)NC(=O)Nc1ccccc1 10789952 RGGADNNCXHXRIP-SSDOTTSWSA-N 323.403 1.949 0 40 DDAB Cn1ccnc1N1CCN(c2cc(C(F)(F)F)ncn2)CC1 1888890427 GMZGWFNSLCWIQI-UHFFFAOYSA-N 312.299 1.556 0 40 DDAB CCOCCCNC(=S)N1CCN(c2ccccc2O)CC1 16237310 ISEKSLNJPGQTIS-UHFFFAOYSA-N 323.462 1.815 0 40 DDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 2037835066 VPVDCTYBHGHSQR-OAHLLOKOSA-N 320.437 1.412 0 40 DDAB O=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1csc(-c2ccccc2)n1 2037885175 XUBQEYLRYGQNIA-RAIGVLPGSA-N 304.371 1.424 0 40 DDAB O=C(Cc1ccccn1)N1CC[C@H]2CN(Cc3ccncc3)C[C@@H]21 1565542180 CSUCGMLGIWIXIE-WMZOPIPTSA-N 322.412 1.752 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2cnsn2)CC1 585148709 CMSGYKVCXZWHOC-UHFFFAOYSA-N 318.358 1.229 0 40 DDAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncccn2)C1 585604893 LNXTZFAPXDBTLY-UHFFFAOYSA-N 320.356 1.232 0 40 DDAB Cn1cc(S(=O)(=O)NC[C@](C)(O)CCc2ccccc2)cn1 206708534 AKRRCPGRRGBTKD-OAHLLOKOSA-N 323.418 1.082 0 40 DDAB Cn1c(=O)c2c(ncn2Cc2c(F)cccc2Cl)n(C)c1=O 93629 HNCCWJPZBKNIBB-UHFFFAOYSA-N 322.727 1.275 0 40 DDAB C[C@H]1CCCN(CN2C(=O)C3(OCCO3)c3ccccc32)C1 87910 UUSOLYVYBNXHPM-ZDUSSCGKSA-N 302.374 1.922 0 40 DDAB COc1ccc(OCC(=O)O[C@@H](C)CN2CCN(C)CC2)cc1 20292335 GZRSBPGOZRVJRJ-AWEZNQCLSA-N 322.405 1.253 0 40 DDAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cnn1C 40480767 WILFDVJIWBUKIB-SNVBAGLBSA-N 301.346 1.991 0 40 DDAB COc1ccc(OC)c2c1CN(CC(=O)NC(C)C)C[C@@H]2O 40474034 UHITTZIBJUSGHC-LBPRGKRZSA-N 308.378 1.077 0 40 DDAB Cc1ccc(NC(=O)CCOCC(C)C)cc1-n1cnnn1 31757580 CQSHHONYLPOZMT-UHFFFAOYSA-N 303.366 1.972 0 40 DDAB C[C@H]1C[C@H](C)CN(CC(=O)NCCCN2CCCCCC2=O)C1 51158390 YAUUHZPZSUQLIX-HOTGVXAUSA-N 323.481 1.873 0 40 DDAB C[C@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnnn1 40535194 FBJMPIDUQFHNLN-SECBINFHSA-N 324.182 1.183 0 40 DDAB O=C(CN1C(=O)CCOc2ccccc21)NCc1cccnc1 20898663 ZHQPKENYEYOLLL-UHFFFAOYSA-N 311.341 1.514 0 40 DDAB CN(CCn1nc2ccccn2c1=O)Cc1ccccc1F 32778001 ZNWPWOSQPLHRAM-UHFFFAOYSA-N 300.337 1.767 0 40 DDAB COc1cc(/C=C/C(=O)N2CC[C@H](C(N)=O)C2)cc(OC)c1 41128739 ZMTJVAQBONXKNY-PCAWENJQSA-N 304.346 1.051 0 40 DDAB C[C@H](C1CC1)N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102875112 VFLWYGIDBKQSFT-BNOWGMLFSA-N 306.406 1.809 0 40 DDAB COC(=O)CNC(=O)c1cccc(NC(=O)[C@H](C)SC)c1 53355003 JGQFKNZTBZXUJT-VIFPVBQESA-N 310.375 1.279 0 40 DDAB C[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC1CC1 23344830 GNHASWQBRQIFFY-LBPRGKRZSA-N 313.357 1.625 0 40 DDAB CCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1 410555 XPMIOPBSYLGWFQ-UHFFFAOYSA-N 321.406 1.500 0 40 DDAB O=C(CCN1CCn2c(nnc2C2CC2)C1)NC1CCCCC1 78788063 IDAUHQSHPYPGBV-UHFFFAOYSA-N 317.437 1.810 0 40 DDAB CC(C)C[C@@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 4064654 LLGXVYIDBJEJNB-BFHYXJOUSA-N 303.406 1.167 0 40 DDAB biogenic COC(=O)c1cn([C@@H](C)C(=O)N2CCOCC2)c2ccccc12 6955829 MTNGMPCZFXYHOI-LBPRGKRZSA-N 316.357 1.848 0 40 DDAB CC(C)N(C)C[C@H]1CO[C@]2(COCCN(C(=O)N(C)C)C2)C1 107738745 ZYDAGCDZXMQYRA-GOEBONIOSA-N 313.442 1.116 0 40 DDAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCCC1 8118958 UIWWZJPTOIAMGO-LLVKDONJSA-N 311.407 1.147 0 40 DDAB C[C@@H]1CN(C(=O)CN(C)Cc2ccc3c(c2)OCCO3)CCO1 10050689 QQGURMULFWOTKE-CYBMUJFWSA-N 320.389 1.137 0 40 DDAB O=C([C@@H]1COc2ccccc2C1)N1CCN(c2cnccn2)CC1 44896648 ZPAHPAHBVSDVQC-HNNXBMFYSA-N 324.384 1.377 0 40 DDAB CCCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 44954019 HRKNEWFITADGBK-UHFFFAOYSA-N 318.421 1.212 0 40 DDAB C[C@H]1COCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44912325 BHNFMNXMZUWCFN-NSHDSACASA-N 304.346 1.197 0 40 DDAB C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@H]1CCCO1 27892193 UWUOZWOLBQUTFB-LKFCYVNXSA-N 304.346 1.191 0 40 DDAB Cc1n[nH]c(=S)n1NC(=O)c1cncc(Br)c1 9609162 DNHLAHPABUCQSE-UHFFFAOYSA-N 314.168 1.791 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccc(=O)n(Cc2ccccc2)n1 11781202 PWUASAMICURXMG-AWEZNQCLSA-N 313.357 1.200 0 40 DDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCCC3)cnc21 29568876 KNCIXVLBBVEAKL-UHFFFAOYSA-N 316.361 1.167 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CC(=O)N(C)C1 46181312 UHFWAFFIHXTYET-CYBMUJFWSA-N 312.373 1.906 0 40 DDAB Cc1cc(C)c([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1C 22606759 CDDLRMOOHMXQMS-CYBMUJFWSA-N 312.435 1.680 0 40 DDAB O=C(NCCn1ncccc1=O)Nc1ccc(F)c(Cl)c1 23237032 QOJZSDIVHHPQPA-UHFFFAOYSA-N 310.716 1.858 0 40 DDAB COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C/c1[nH]c(C)cc1C 101210251 CVCLJVVBHYOXDC-PRUPWKLTSA-N 317.392 1.019 0 40 DDAB in-vitro O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)C[C@H]1CCCCO1 110579589 WWTPRSYLRKGSTQ-XDQVBPFNSA-N 315.435 1.828 0 40 DDAB CCOc1ccc(CN(C)Cc2nc(N)nc(N(C)C)n2)cc1 12789674 SUMRWNJIMKHRQS-UHFFFAOYSA-N 316.409 1.551 0 40 DDAB O=S(=O)(NCc1nnc2n1CCC2)c1cccc(Cl)c1 48300421 DUMDIUZXPSNCEP-UHFFFAOYSA-N 312.782 1.356 0 40 DDAB O=C(Cn1cccn1)N[C@H](CN1CCCC1=O)c1ccccc1 48310638 OTQYHFDBPKTWFW-OAHLLOKOSA-N 312.373 1.363 0 40 DDAB O=C(NC1=NCCS1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12983335 OKVZENXDBZMCCM-GFCCVEGCSA-N 319.386 1.637 0 40 DDAB NS(=O)(=O)NCc1cccc(Cn2cnc3ccccc32)c1 63764280 RNVGGUWLQCPHEN-UHFFFAOYSA-N 316.386 1.378 0 40 DDAB Cc1cccc(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 49373059 ITAMSRKQRFNNAD-RYUDHWBXSA-N 313.444 1.779 0 40 DDAB O=C(CCn1ccc2ccc(F)cc21)N[C@H]1CCS(=O)(=O)C1 13733897 LAAQKIVQXLOKBJ-ZDUSSCGKSA-N 324.377 1.474 0 40 DDAB O=C1Nc2ccc(I)cc2C12OCCO2 4302106 HMOVFDKERCMKBY-UHFFFAOYSA-N 317.082 1.443 0 40 DDAB COC(=O)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(C)C 4301609 SENAJFYSYBCLRB-ZDUSSCGKSA-N 308.334 1.777 0 40 DDAB Cn1ncc2c(NCCO)nc(Nc3ccc(F)c(F)c3)nc21 4374992 QMPPAKDZBNMJEV-UHFFFAOYSA-N 320.303 1.789 0 40 DDAB CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 13985598 PWTLLRUTALBOKL-OFFHKIPUSA-N 318.373 1.517 0 40 DDAB CCOc1ccc(-c2c(=O)n(OC)c3ccccc3[n+]2[O-])cc1 5274833 QELLPQRVQQETCL-UHFFFAOYSA-N 312.325 1.759 0 40 DDAB Cc1ccc(C(=O)NCc2nc(-c3ccsc3)no2)c(=O)[nH]1 65463816 CGMJCCIREZQENZ-UHFFFAOYSA-N 316.342 1.725 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@H]2CCCC[C@H]21 65553309 AXHWMOHDFZLWFH-BARDWOONSA-N 304.390 1.539 0 40 DDAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccs1 14118033 XIQDVWJMISUVGM-VIFPVBQESA-N 317.374 1.069 0 40 DDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)Cc1ccccc1 95479093 MUJFQJWCTUCQML-UHFFFAOYSA-N 322.368 1.459 0 40 DDAB biogenic CCNC(=O)NC(=O)[C@H](C)Sc1ccc2c(c1)OCCO2 6497264 HHBAMUKDGSAAHH-VIFPVBQESA-N 310.375 1.784 0 40 DDAB CC(=O)N1CC[C@H](NC(=O)C2(O)CCCC2)c2ccccc21 95441650 QFBPNFXHUPDULJ-AWEZNQCLSA-N 302.374 1.906 0 40 DDAB CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C)c2)C1 67244577 RGLGOVWSYYBONU-ZDUSSCGKSA-N 320.418 1.102 0 40 DDAB Cc1ccccc1OCCn1nnc(-c2ccc(C(N)=O)cc2)n1 7875638 AYRVOQPVBKJGDX-UHFFFAOYSA-N 323.356 1.826 0 40 DDAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(C[C@@H](C)O)CC1 71871098 ISIYMEMSZCQIBW-GFCCVEGCSA-N 301.390 1.615 0 40 DDAB CCN(C(=O)CN1CCNC(=O)C1)c1cccc2ccccc12 16585708 YESRHNJNAIESDR-UHFFFAOYSA-N 311.385 1.625 0 40 DDAB COc1cccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 224271311 VPPHJAYYKZESCU-UHFFFAOYSA-N 308.363 1.352 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 71841339 RKOBLAMEGFWUPS-GZBFAFLISA-N 312.373 1.406 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(c3ncnc4[nH]ccc34)CCO2)n1 69349914 SCSLUJOPOHFISA-CYBMUJFWSA-N 312.377 1.677 0 40 DDAB CCOC(=O)[C@H](C)N1CCN(Cc2csc(CC)n2)CC1 71915645 CLKBKCLZPYNXPE-LBPRGKRZSA-N 311.451 1.775 0 40 DDAB COc1ccc([C@H](O)CNC[C@@H]2CNc3cc(C)nn3C2)cc1 69560805 NKLRKPZKKYCQCS-CZUORRHYSA-N 316.405 1.565 0 40 DDAB Cc1ccc(C(=O)NCCNC[C@H]2CNc3ccnn3C2)cc1 69534862 CDKRGSGRGFZEOB-AWEZNQCLSA-N 313.405 1.253 0 40 DDAB O=C(CSCc1ccncc1)NC[C@H]1CCN(C2CC2)C1 69700771 MNTGSFHQPUISSY-CQSZACIVSA-N 305.447 1.915 0 40 DDAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@H]2CCCO2)CC1 69876268 QBKTYLLMGQXWHB-OAHLLOKOSA-N 320.437 1.677 0 40 DDAB CCC(=O)N1CCN(C(=O)N[C@H]2CCc3ccccc3C2)CC1 69811232 ZECUFKWVVZTMAW-INIZCTEOSA-N 315.417 1.808 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2coc3ccccc23)C1 92770502 YEOFWDKECPDFIP-LLVKDONJSA-N 322.386 1.587 0 40 DDAB O=C(Cc1cccc(F)c1F)N1CCN(Cc2ccon2)CC1 87401973 HXWTWXMFOBOZOJ-UHFFFAOYSA-N 321.327 1.840 0 40 DDAB Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c(=O)[nH]1 97143697 RGKCJOGRXVTNFQ-UHFFFAOYSA-N 323.356 1.441 0 40 DDAB CCN(C)S(=O)(=O)N(CC)Cc1ccc2c(c1)OCO2 72306991 JCQKQTBWPNVVJR-UHFFFAOYSA-N 300.380 1.434 0 40 DDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1c2ccccc2C[C@H]1C(=O)O 72402075 CASGVVWONVPEQW-SRVKXCTJSA-N 303.314 1.386 0 40 DDAB COC(=O)[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(Cl)cc1 95959747 FHZLOWIMWJVGBQ-AWEZNQCLSA-N 324.808 1.936 0 40 DDAB CC(=O)c1cc(C(=O)N[C@]2(CO)CCc3ccccc32)n(C)c1 89291881 RYGYUYMJYPIRFQ-SFHVURJKSA-N 312.369 1.792 0 40 DDAB NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)O1 89768355 UYASKOZYZLYFMT-GZMMTYOYSA-N 317.172 1.756 0 40 DDAB CC[C@H](OC1CCCCC1)C(=O)NCc1nnnn1C1CC1 89941894 LQPMPMPKYHEJIT-ZDUSSCGKSA-N 307.398 1.752 0 40 DDAB CCCCc1nnc(NC(=O)CN(C)Cc2ncnn2C)s1 89954894 TWMVGJCCXPTNJR-UHFFFAOYSA-N 323.426 1.080 0 40 DDAB c1cnnc(NC[C@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1 76049800 XZIKOWWFPQTUGF-LBPRGKRZSA-N 316.365 1.050 0 40 DDAB O=C(NCCCCCO)C(=O)NCCc1c[nH]c2ccccc12 170389882 FHOBNRMVABUPRP-UHFFFAOYSA-N 317.389 1.105 0 40 DDAB CCNC(=O)COc1ccc(C(=O)OC)cc1Br 29349188 LQZIKANXIVZHGT-UHFFFAOYSA-N 316.151 1.751 0 40 DDAB O=C(CCc1cccc(Cl)c1)N1CC(N2C(=O)CCC2=O)C1 238900643 RLNDYQGHXHSQIJ-UHFFFAOYSA-N 320.776 1.632 0 40 DDAB O=C(/C=C/C(=O)n1nnc2ccccc21)n1nnc2ccccc21 408720014 IUJQUYOYRVIVQB-MDZDMXLPSA-N 318.296 1.713 0 40 DDAB O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CCNCC1 38478373 UGAYGSJRKGXOEM-STQMWFEESA-N 309.207 1.984 0 40 DDAB CC(C)(O)[C@@H]1CCCN1C(=O)N[C@@H]1COc2ccccc2C1 185518069 QJORCYHIHYRCNP-ZFWWWQNUSA-N 304.390 1.935 0 40 DDAB O=C(NCCCn1cccn1)NCc1ccc2c(c1)OCO2 31046716 YVPMEDJQCMAKQI-UHFFFAOYSA-N 302.334 1.501 0 40 DDAB Cc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 72385985 GNKMWENLZDNDMN-GFCCVEGCSA-N 323.422 1.328 0 40 DDAB CCN(CC)CCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 32089766 KSTKNYDEXOEJFP-UHFFFAOYSA-N 316.405 1.955 0 40 DDAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 79409797 BDKHDZHDJILSFJ-QWHCGFSZSA-N 313.442 1.970 0 40 DDAB CC(=O)Nc1nc(CSCc2nnnn2C2CC2)cs1 78714497 RJLLQNOTTWMQFM-UHFFFAOYSA-N 310.408 1.856 0 40 DDAB COC(=O)C(C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 79025799 WXMMWLYEFPRKCS-UHFFFAOYSA-N 315.366 1.596 0 40 DDAB CCn1nc(C)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 195530940 ZWUYCGILKURPRR-ZDUSSCGKSA-N 301.346 1.637 0 40 DDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)Cn2cccc2)n[nH]1 225556034 NLQBQYFJMPOCPE-CYBMUJFWSA-N 301.350 1.064 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc(N)c1 195578900 SDMYVUHNBSYRRX-OLZOCXBDSA-N 311.451 1.668 0 40 DDAB CCc1sc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 44894546 BNRQXCYPLBGEPZ-UHFFFAOYSA-N 321.402 1.433 0 40 DDAB C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCC2(N)CCC2)C1 572825409 FBTFTDGDXVWTAX-TUVASFSCSA-N 309.454 1.839 0 40 DDAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCN(C)CC1 227150275 JQZIQFIQJDEITB-AWEZNQCLSA-N 314.389 1.414 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 225587341 KKPJIXDBDQMFPQ-XJFOESAGSA-N 323.370 1.183 0 40 DDAB CCOCC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 96161107 NJJFKRVHWIJPBH-UHFFFAOYSA-N 302.374 1.560 0 40 DDAB NC(=O)C1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 96430449 YCJAYLOTZBKKDA-LBPRGKRZSA-N 310.444 1.802 0 40 DDAB CCN1CCN(C(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)CC1 96192678 CEGLDWRRRRGTTN-QGZVFWFLSA-N 319.380 1.873 0 40 DDAB CC(C)CN1C(=O)[C@@]2(CCN(S(C)(=O)=O)C2)c2ccccc21 96244825 AWBFRKMBJIUCPS-MRXNPFEDSA-N 322.430 1.592 0 40 DDAB CN(C)C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237875 QYAFMHYSZTUARX-QGZVFWFLSA-N 316.405 1.091 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)NCC1CC1 96057162 XVICYACIUCMAAZ-INMHGKMJSA-N 318.417 1.890 0 40 DDAB CC(=O)N1CCN(Cc2ccc(C)o2)C[C@@]2(CC(=O)N(C)C2)C1 97952735 VDFBJJIWVXEFIQ-KRWDZBQOSA-N 319.405 1.101 0 40 DDAB C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 96461698 VWXQXSXKMGSAIA-ZYHUDNBSSA-N 314.382 1.079 0 40 DDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 96108273 QTEONVZLJUUIBS-MOPGFXCFSA-N 316.445 1.776 0 40 DDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@H]3C2)s1 96043192 IXDBWWYXBAKDBM-XQQFMLRXSA-N 322.434 1.453 0 40 DDAB O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 96058281 UZCOHUUHUOWVLK-OWCLPIDISA-N 304.390 1.785 0 40 DDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)C12CC2 95864768 JEEMXIZVKNXKNM-KZASZHMNSA-N 322.401 1.565 0 40 DDAB in-vitro Cc1n[nH]c([C@H]2C[C@@H]3CCN(c4ncc(F)cn4)C[C@H]3O2)n1 96070640 CARDLZQGHABAKV-MVWJERBFSA-N 304.329 1.399 0 40 DDAB O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472078 UNVMNTSSBKYEAH-NSHDSACASA-N 321.340 1.950 0 40 DDAB CN(C)c1nc(CS(=O)(=O)c2ncccc2Cl)ns1 97080131 CGBNNPFZSIMJPT-UHFFFAOYSA-N 318.811 1.626 0 40 DDAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)OC2(C)C)n1 96114807 JGRVMVMXEPGGMP-SSDOTTSWSA-N 312.347 1.600 0 40 DDAB biogenic CCN(CC)Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2 96197183 PGJLOLOLZFQNNX-UHFFFAOYSA-N 302.378 1.974 0 40 DDAB CNc1cncc([C@H]2CCCN2CC(=O)N2CCCCC2)n1 257264768 LVYYXAVNTHUTJW-CQSZACIVSA-N 303.410 1.668 0 40 DDAB Cn1ccnc1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257326217 WWHSRDQFAHYZAB-MRXNPFEDSA-N 315.377 1.556 0 40 DDAB NC(=O)c1cnn2c([C@@H]3CCCN(c4ccccn4)C3)ccnc12 257221276 DOGQMOCUVIYVSU-GFCCVEGCSA-N 322.372 1.607 0 40 DDAB Cn1c(CN2CCO[C@H](c3cnccn3)C2)nc2ccccc21 257246067 ISHYIAXWHNCWKA-INIZCTEOSA-N 309.373 1.937 0 40 DDAB Cc1ocnc1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257324704 WPTVSZIJJBCLRD-LLVKDONJSA-N 302.334 1.597 0 40 DDAB C[C@@H]1C[C@H](N[C@H]2CCS(=O)(=O)C2)CN(Cc2ccccc2)C1 253370658 UIVSWJKIYQDGGO-PVAVHDDUSA-N 322.474 1.674 0 40 DDAB CNc1cc(C)nc([C@H]2COCCN2Cc2nccs2)n1 257267228 MGLRWMJGDBSKHM-LLVKDONJSA-N 305.407 1.857 0 40 DDAB CS(=O)(=O)N1CCC(N2CCC[C@H]2c2cnccn2)CC1 257253063 JXLAINCTWYWBIX-AWEZNQCLSA-N 310.423 1.038 0 40 DDAB COC(=O)c1ccc(NC(=O)Nc2cc(C)[nH]n2)cc1OC 390835048 BSDCGAOWXUSQJQ-UHFFFAOYSA-N 304.306 2.157 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccno2)cc1Cl 390833195 DIEMAKFQECXGTF-UHFFFAOYSA-N 302.739 1.815 0 40 DDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ocnc2C)C1 585277201 KZMKFDJLZOGALZ-OAHLLOKOSA-N 309.366 1.130 0 40 DDAB CCn1nccc1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900799363 XBMNMDYTZBAXJU-UHFFFAOYSA-N 303.351 1.407 0 40 DDAB CO[C@@]1(COc2ccccc2)COCCN(Cc2ncc[nH]2)C1 585275476 FEQKMPYJNNFZBT-QGZVFWFLSA-N 317.389 1.706 0 40 DDAB Cn1cnc2c1C[C@H](CO)N(C(=O)c1ccc3ccccc3n1)C2 585094773 LYHMZDMIZOIRAE-CYBMUJFWSA-N 322.368 1.528 0 40 DDAB CC1CCN(c2ccc(CNC(=O)N3CCOCC3)cn2)CC1 44968519 VSKPGPZZPLLWLY-UHFFFAOYSA-N 318.421 1.860 0 40 DDAB CC(C)NC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 44934041 SKIFUJDORWCPRE-BETUJISGSA-N 311.426 1.452 0 40 DDAB Cc1ccoc1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 46050460 ODIAPBUHWVXUNW-KGLIPLIRSA-N 308.378 1.055 0 40 DDAB CCN1C(=O)C(=O)N(Cc2cc(F)cc3cccnc23)C1=O 46028643 YSXOVZNTLYKWOE-UHFFFAOYSA-N 301.277 1.685 0 40 DDAB CC1(C)COC2(CCN(C(=O)CCn3cccn3)CC2)OC1 84673725 PGHBPFITMACARG-UHFFFAOYSA-N 307.394 1.665 0 40 DDAB CC[C@H]1CN(C(=O)c2c[nH]c(C(C)C)n2)C[C@H]1N1CCOCC1 84735997 NLXWIKVYGPAFGK-DZGCQCFKSA-N 320.437 1.716 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c(=O)[nH]1 75125771 MTRKUBRDTFSGMF-CHWSQXEVSA-N 300.362 1.145 0 40 DDAB Cc1nc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)no1 95994952 AQOWHVJGKSXWDR-CQSZACIVSA-N 301.346 1.791 0 40 DDAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCCC1=O 5399707 FHAVPBPHSSRBMO-UHFFFAOYSA-N 300.314 1.403 0 40 DDAB Cn1nccc1C(=O)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 19289085 HPYKBVLRVLTMPT-LLVKDONJSA-N 324.344 1.495 0 40 DDAB Cc1nn(C(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C 19583255 YVOALWHYXNWIRI-UHFFFAOYSA-N 313.383 1.285 0 40 DDAB Cc1nnsc1C(=O)NCC1CCN(C2CCOCC2)CC1 225561795 JHTLGAIMZYPZEM-UHFFFAOYSA-N 324.450 1.467 0 40 DDAB O=C(COC(=O)c1ccco1)Nc1ccc2c(c1)OCCO2 4195329 NFYXUSIUIMFPPX-UHFFFAOYSA-N 303.270 1.846 0 40 DDAB CCc1cc(N2CCO[C@H](C(=O)N3CCCCC3)C2)ncn1 1888834286 UOTIWYNTFLJDFS-AWEZNQCLSA-N 304.394 1.257 0 40 DDAB Cc1nnc(N2CC(NC(=O)[C@@H](C)Oc3ccccc3)C2)s1 1888854661 OTRVHMVVIFVXRL-SNVBAGLBSA-N 318.402 1.619 0 40 DDAB O=C(c1ccn[nH]1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238867252 MBIBJJFWPXUHAT-CHWSQXEVSA-N 309.329 1.816 0 40 DDAB COc1nccn2c(CNC(=O)c3ccc(F)c(F)c3)nnc12 240178599 ZCBKEIOMGWYCNM-UHFFFAOYSA-N 319.271 1.341 0 40 DDAB CCC(CC)CN1CCC(N=c2ccn(C)[nH]2)(C(=O)NC)CC1 2055746204 ZITHYYLCFOOQFL-UHFFFAOYSA-N 321.469 1.271 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@@](C)(O)Cc1ccsc1 618257405 XBHAETLNJOKMCO-AWEZNQCLSA-N 309.391 1.214 0 40 DDAB CC(C)(C)c1ccc(N2CCC[C@H](NS(C)(=O)=O)C2)nn1 2298183927 IJTRIDJVWVPVND-NSHDSACASA-N 312.439 1.292 0 40 DDAB O=C(O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 20200919 NYEDKMDIAZXUII-LBPRGKRZSA-N 308.378 1.101 0 40 DDAB O=c1cc(CS(=O)(=O)c2ccccc2)nc2ccccn12 40477982 HTLGGGRTJNRGFU-UHFFFAOYSA-N 300.339 1.668 0 40 DDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2 31813966 AEERITWADMNTSX-GFCCVEGCSA-N 313.361 1.979 0 40 DDAB O=C(CN1CCSC1=O)NC[C@@H]1CCN(c2ccccc2)C1 40510953 PRHMYRZWEDNMRD-ZDUSSCGKSA-N 319.430 1.798 0 40 DDAB Cc1c(C)n(Cc2ccncc2)c2ncn(CCCO)c(=N)c12 101465718 IFKOXFHULPEZDY-UHFFFAOYSA-N 311.389 1.760 0 40 DDAB Cc1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cs1 32819586 VWALLXZMXOXWLE-CQSZACIVSA-N 315.398 1.433 0 40 DDAB CC(C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 41224321 QBYSKPSYJMXKCE-LLVKDONJSA-N 316.448 1.673 0 40 DDAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2cc[nH]n2)CC1 52805564 CKDSSLSZENXWAK-UHFFFAOYSA-N 316.336 1.076 0 40 DDAB Cc1nc(CC(=O)NCCS(=O)(=O)c2ccccc2)cs1 53556444 HSWQOPKHBMBPRJ-UHFFFAOYSA-N 324.427 1.584 0 40 DDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)s2)C1 42042830 FHLLNIRKMVNPOE-QMMMGPOBSA-N 301.799 1.808 0 40 DDAB COc1cccc(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)c1 42156205 GUWJRYXCVNQKBV-HNNXBMFYSA-N 318.373 1.205 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 53895081 RWSFOJDUOVATOJ-JTQLQIEISA-N 318.764 1.473 0 40 DDAB CCCCc1nnc(NC(=O)CCSCC(N)=O)s1 23098754 VWQRQPBVVFGIRY-UHFFFAOYSA-N 302.425 1.428 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccco2)CC1 34193703 QMISWFPIHQAZFV-UHFFFAOYSA-N 324.377 1.925 0 40 DDAB COc1ccc2c(c1)N(CC(C)C)CC[C@@]21NC(=O)NC1=O 78503011 ZUZAQQOTIHSKMK-MRXNPFEDSA-N 303.362 1.596 0 40 DDAB CCOC(=O)[C@H](C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1764231 PXUJMAWWBHGXFH-NXEZZACHSA-N 303.314 1.439 0 40 DDAB Cc1cccc2c(CCNS(=O)(=O)[C@@H]3CCOC3)c[nH]c12 79015813 DVPACPJQWPLLGJ-CYBMUJFWSA-N 308.403 1.727 0 40 DDAB NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 4891524 ROFCTYOAFCEQBL-POHAHGRESA-N 300.270 1.265 0 40 DDAB O=C(O)C1=C(C(=O)O)[C@@H]2CCC[C@H]3[C@@H]4CCCC[C@H]4N(N1)[C@@H]23 4972542 CLKXBYLUFNZMKH-MOUCOTEISA-N 306.362 1.587 0 40 DDAB CCCCOc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1 6651463 FYRMDUMYCDLMIW-UHFFFAOYSA-N 321.421 1.872 0 40 DDAB COC(=O)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 57452430 WNCPCNZMNSOZJS-INIZCTEOSA-N 316.401 1.891 0 40 DDAB COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 8476119 RULJJRZHERXUCE-UHFFFAOYSA-N 324.402 1.372 0 40 DDAB COC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1 3266333 UEIIZPUEMYDUKT-UHFFFAOYSA-N 315.285 1.059 0 40 DDAB CCCCc1noc(CN[C@@H](C(=O)NC)c2ccccc2)n1 58223722 VZVMENTZMVQHBL-OAHLLOKOSA-N 302.378 1.989 0 40 DDAB O=C(NCc1cc2ccccc2o1)NC[C@H]1CCS(=O)(=O)C1 44954113 UKOWWDIGPBYVGP-LLVKDONJSA-N 322.386 1.667 0 40 DDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)C2CC2)c1 44934054 MACJXFQXZQLDJI-SNVBAGLBSA-N 311.407 1.192 0 40 DDAB COc1ccccc1[C@@H](O)CNC[C@H]1CNc2ccnn2C1 58308856 JYXYYLWZZSGLFN-JSGCOSHPSA-N 302.378 1.257 0 40 DDAB CCc1noc(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)n1 58341868 KQQFFYVTQNIWFC-HNNXBMFYSA-N 318.308 1.738 0 40 DDAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)N1CCOCC1 58378962 ZEJVMJTXEOWQAA-CYBMUJFWSA-N 316.401 1.081 0 40 DDAB NC(=O)[C@H](NCCNC(=O)CC1CCCC1)c1ccccc1 58418543 ATLKZCXOQCFLAP-MRXNPFEDSA-N 303.406 1.499 0 40 DDAB Cn1ccc(C(=O)NCc2ccccc2OC(F)F)cc1=O 28506930 LJINHQDCPRLUHB-UHFFFAOYSA-N 308.284 1.917 0 40 DDAB Cc1csc(CNC(=O)N(C)Cc2ccc(C(N)=O)cc2)n1 45355578 LFIOHVZWKYBJPR-UHFFFAOYSA-N 318.402 1.892 0 40 DDAB CCc1nnsc1C(=O)Nn1cnc2ccccc2c1=O 72952922 LCTXLCYITJAPDE-UHFFFAOYSA-N 301.331 1.194 0 40 DDAB CCc1cc(NCCC(=O)N2CCCCC2)n2ncnc2n1 52427393 QCNKBZJFBVLQKC-UHFFFAOYSA-N 302.382 1.501 0 40 DDAB CCCOc1ccc(OCC(=O)NCCNC(=O)C(C)C)cc1 36712706 XPKGWDFZTNOMIR-UHFFFAOYSA-N 322.405 1.743 0 40 DDAB CC1=NN(c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 45768799 UVEDOEKGQZDCIM-ZDUSSCGKSA-N 321.402 1.190 0 40 DDAB C[C@@H]1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CCO1 45876130 UKTHTWUBYCMCLE-LLVKDONJSA-N 316.365 1.352 0 40 DDAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(OCC(N)=O)cc1 29380463 GODSMUURHUNXOA-LBPRGKRZSA-N 313.357 1.569 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 100517952 CECJSNLAQXUWRR-IMIFBBOLSA-N 317.297 1.051 0 40 DDAB COc1ccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 12297119 WUUGODPUBJOWHO-UHFFFAOYSA-N 309.325 1.862 0 40 DDAB biogenic COCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2 12345613 PJQDSMBTUHYLFR-ZDUSSCGKSA-N 321.764 1.437 0 40 DDAB COc1ccccc1CC(=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 47343192 BVMXKUSVGXBTBP-UHFFFAOYSA-N 309.329 1.478 0 40 DDAB O=C(Cc1cccc(F)c1)NCCS(=O)(=O)c1ccccc1 47386191 KAZZCAOPGOGGHN-UHFFFAOYSA-N 321.373 1.958 0 40 DDAB CCOc1ccc(NC(=O)CNCCCN2CCCC2=O)cc1 3338971 NNWQEQDXFOOWLY-UHFFFAOYSA-N 319.405 1.626 0 40 DDAB COCCOCC(=O)NCc1ccc(N2CCCCC2)nc1 48366658 MRZMJSNDVGGZRQ-UHFFFAOYSA-N 307.394 1.351 0 40 DDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1nncn1C 65591844 WXCBGVARJNXDDK-JTQLQIEISA-N 308.769 1.595 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(NCc2nncn2C)cc1 97048034 RARCPGAZNNSKLU-UHFFFAOYSA-N 323.422 1.458 0 40 DDAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc[nH]n1 97085877 KKNWNNYKCSANRW-UHFFFAOYSA-N 315.308 1.961 0 40 DDAB CC(C)NC(=O)CNC(=O)COc1ccc2ccccc2c1 14244860 FEIOPIAPUKJBDW-UHFFFAOYSA-N 300.358 1.859 0 40 DDAB CCc1ccc(C(=O)N[C@H](C(=O)NCCOC)C(C)C)cc1 4698031 MTJQVLBSMJEPFB-HNNXBMFYSA-N 306.406 1.766 0 40 DDAB COCCN1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C 72268114 WDOIAYVEGXURIH-HNNXBMFYSA-N 311.470 1.478 0 40 DDAB O=C(NC1=NCCS1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 9471140 YSPHEWMXMVAQJJ-LBPRGKRZSA-N 316.386 1.440 0 40 DDAB CCc1ncc(C(=O)NCCC(=O)Nc2ccncc2)s1 96403148 LSKHGPDHLDUGOD-UHFFFAOYSA-N 304.375 1.859 0 40 DDAB COC(=O)CCS[C@H](C)C(=O)NCc1ccc(OC)cc1 7658537 ZAVDYOUQHZZELU-LLVKDONJSA-N 311.403 1.996 0 40 DDAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@H]1C 16049853 ZPDHGWNKRPDOPE-QMMMGPOBSA-N 324.358 1.423 0 40 DDAB CCCCn1c(N)c(N(CC)C(=O)CC(C)(C)C)c(=O)[nH]c1=O 7782581 FFGGTVRSHISPHD-UHFFFAOYSA-N 324.425 1.708 0 40 DDAB O=C(NCc1ccccn1)[C@H]1CCC(=O)N1Cc1cccs1 72239727 OBRQVZGGLCTZBH-CQSZACIVSA-N 315.398 1.951 0 40 DDAB CCCc1cc(N2CCn3c(nnc3C3CC3)C2)n2ncnc2n1 71880172 BNGCADWJALHZCV-UHFFFAOYSA-N 324.392 1.566 0 40 DDAB COc1cc(CNCCNc2ncccn2)cc2c1OCO2 71825406 MKAUNYTZWAQSEV-UHFFFAOYSA-N 302.334 1.416 0 40 DDAB CCNc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1Cl 81679984 DDXJDVZTGUBFSB-UHFFFAOYSA-N 318.830 1.103 0 40 DDAB COC(=O)c1cc2ccccc2cc1NC(=O)[C@H]1CCC(=O)N1 71888310 CTAXHJRKRTUKOM-CYBMUJFWSA-N 312.325 1.844 0 40 DDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCCC(=O)O)CC1=O 96595483 YFGUMSXYIFLHBH-TZMCWYRMSA-N 318.373 1.577 0 40 DDAB Cc1cnn([C@H](C)[C@H](C)NC[C@H](O)CN2CCC(C)CC2)c1 69464827 CIVVDJLPHPVMGK-BBWFWOEESA-N 308.470 1.823 0 40 DDAB CCCN(Cc1nc(O)n[nH]1)C[C@H]1COc2ccccc2O1 91538358 RRBSKSHXRHCPTQ-NSHDSACASA-N 304.350 1.562 0 40 DDAB CC[C@H](CCNC(=O)c1ccc(OC)cc1O)N1CCCC1=O 69588343 UJLTZSWWIXJQMM-GFCCVEGCSA-N 320.389 1.922 0 40 DDAB COC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 69520330 KVVDSWFSFFCRMP-RYUDHWBXSA-N 310.394 1.235 0 40 DDAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)N(C)C 71914612 QBMGWBBUFZROMP-JOYOIKCWSA-N 306.815 1.812 0 40 DDAB Cc1cc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)on1 69771669 HRGUMUWWYQZUCR-NSHDSACASA-N 320.324 1.588 0 40 DDAB Cc1cccc2[nH]cc(CC(=O)N3CCN(C[C@@H](C)O)CC3)c12 69742841 JTXNIAMWCISJTA-CQSZACIVSA-N 315.417 1.544 0 40 DDAB COCCN1CCN(Cc2nccn2CC(F)(F)F)C[C@@H]1C 69706958 MDRKLKVFHKZGPF-LBPRGKRZSA-N 320.359 1.598 0 40 DDAB CCOCCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69951632 CVMSFJPJXJNLDW-MRXNPFEDSA-N 306.406 1.291 0 40 DDAB O=C(CSc1nncn1C1CC1)NC(=O)NC1CCCCC1 8753397 YJOTUYPXDFTJOY-UHFFFAOYSA-N 323.422 1.864 0 40 DDAB COc1ccc(C(=O)CCC(=O)NCc2ncc[nH]2)cc1F 83953114 UFQXUVKWOFOJMA-UHFFFAOYSA-N 305.309 1.837 0 40 DDAB COC(=O)CNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 71185163 JHRMNAWRGVRBRA-UHFFFAOYSA-N 320.326 1.442 0 40 DDAB COCc1nnc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)s1 95472097 BSFZYOFYEQODFZ-VIFPVBQESA-N 318.358 1.749 0 40 DDAB CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCCn3ncnc32)C1 95462827 ZMXFFAMZLIVDKE-RYUDHWBXSA-N 307.398 1.712 0 40 DDAB COC(=O)c1ccc(C(=O)NN2CCc3ccccc3C2=O)cc1 95457364 HTICNCHHCUQZPK-UHFFFAOYSA-N 324.336 1.817 0 40 DDAB C[C@@H](NC(=O)c1cnn(C2CCCCC2)c1N)c1nncn1C 95455143 QSFHBKAPMAWSKX-SNVBAGLBSA-N 317.397 1.590 0 40 DDAB COC(=O)N1CCC[C@H](NC2CCN(CC(F)F)CC2)C1 95967610 LHJZOKRLZGZPEL-LBPRGKRZSA-N 305.369 1.536 0 40 DDAB COCCN(C)Cc1ccnc(NC(=O)c2cncc(F)c2)c1 95965720 JHZYUDWRWGVLPA-UHFFFAOYSA-N 318.352 1.946 0 40 DDAB CN1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 75123131 FEMJHYHIJWHOMJ-VIFPVBQESA-N 318.299 1.609 0 40 DDAB O=C1NC[C@H](C(=O)Nc2ncc(Cc3ccccc3)s2)N1 89840345 UHPJJTKDRLFDBL-LLVKDONJSA-N 302.359 1.354 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)C(C)(C)c1ccc2c(c1)OCCO2 89937800 LHKHRRHPTKOWBN-ZDUSSCGKSA-N 318.417 1.898 0 40 DDAB CCC(=O)N1CCC[C@@H](C(=O)N2CCOC3(CCCC3)C2)C1 89941656 XJOCPGHLLYYIEA-CQSZACIVSA-N 308.422 1.807 0 40 DDAB Cc1nc2ccc(NC(=O)c3ccc(-n4cncn4)nc3)cn2n1 552526128 OGPKTZVHRQZSME-UHFFFAOYSA-N 320.316 1.266 0 40 DDAB CC(C)NC(=O)c1nc(-n2cnnc2)ccc1Br 21721309 INLYZUYYZSCSQP-UHFFFAOYSA-N 310.155 1.563 0 40 DDAB C[C@@H](c1ccc(O)cc1)n1ccc2c(cnc3ncnn32)c1=O 38784292 GSQATTCZIXGBOB-JTQLQIEISA-N 307.313 1.754 0 40 DDAB CC[C@H](c1ccc(F)cc1F)N1CCN(c2nnnn2C)CC1 525707185 LWPWNWCQFRYKJQ-CQSZACIVSA-N 322.363 1.762 0 40 DDAB CC1(c2nc(=NC(=O)[C@H]3CCc4nccn4C3)s[nH]2)CC1 529704852 SPHJZSDIKVSADT-VIFPVBQESA-N 303.391 1.409 0 40 DDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)no1 74936362 YDUXTCGLUXNVPJ-UHFFFAOYSA-N 323.330 1.139 0 40 DDAB CSc1nc(N2CCCC2)c(C=O)c(N2CCOCC2)n1 217689547 ZYKWVDMKYPTWKE-UHFFFAOYSA-N 308.407 1.448 0 40 DDAB O=C(Nc1cc2ccccn2n1)N1CCO[C@]2(CCCOC2)C1 558477461 SQXXTQJOLAWMIM-MRXNPFEDSA-N 316.361 1.748 0 40 DDAB CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218072991 QWCVETLFDNNJIP-ILXRZTDVSA-N 313.419 1.187 0 40 DDAB Cc1nccnc1[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1 72364485 CPVGQYVQQNIKHK-NSHDSACASA-N 307.379 1.044 0 40 DDAB CC1CCN(S(=O)(=O)c2ncn(C)c2Br)CC1 218816297 HIVFBOIITKXINN-UHFFFAOYSA-N 322.228 1.603 0 40 DDAB CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1nccn1C 72366147 LULRMZWFSPQDCG-LBPRGKRZSA-N 302.382 1.182 0 40 DDAB CCS(=O)(=O)N(C)CCCNc1ncc(Cl)cc1F 79295822 PDVVFGKDZYQGMG-UHFFFAOYSA-N 309.794 1.958 0 40 DDAB Cn1nc(C(=O)NCc2ccccc2F)cc1NC(=O)C1CC1 46089114 XFVPPHXTLUBMCY-UHFFFAOYSA-N 316.336 1.838 0 40 DDAB CN(Cc1ccnc(N)c1)[C@H]1CCN(Cc2ccccc2)C1=O 193577430 XXMHGPVMSOWQJG-INIZCTEOSA-N 310.401 1.897 0 40 DDAB COCCc1noc(CCN2C(=O)c3ccccc3C2=O)n1 225527513 NEVBAMOVXRXSDE-UHFFFAOYSA-N 301.302 1.097 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccsc1 80891856 ZRLCCIQOMVDBJO-BBRMVZONSA-N 324.446 1.863 0 40 DDAB CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCCCCC2=O)c1 227115572 MMCSLUJOMLRXTJ-GFCCVEGCSA-N 317.389 1.776 0 40 DDAB Cc1cc(CC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)no1 195551031 FCOVZYHOWSQFPP-CYBMUJFWSA-N 306.293 1.997 0 40 DDAB O=C(C1CC1)[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)CCO1 328699867 VWFTUKQIJBTDRS-HNNXBMFYSA-N 317.389 1.818 0 40 DDAB CC(C)[C@@H](C(=O)NCC1(O)CCCCCC1)N1CCCC1=O 96411768 VSIWLXVWYDFKBU-HNNXBMFYSA-N 310.438 1.835 0 40 DDAB CC(C)N(C)C[C@@H]1CN(c2ncccn2)Cc2nccn2C1 96188313 XNZWWKRIDBCTHW-AWEZNQCLSA-N 300.410 1.650 0 40 DDAB C[C@H](C(=O)N(C)[C@@H](C)CS(C)(=O)=O)[C@H](N)c1ccccc1 230456620 CYUQJCKGOSBDPD-OBJOEFQTSA-N 312.435 1.214 0 40 DDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4cccnc4)CC[C@@H]23)[nH]1 96207771 KOJYEEOFKURALZ-OAGGEKHMSA-N 313.405 1.588 0 40 DDAB c1cnc(N2CCOC3(CCN(C[C@H]4CCOC4)CC3)C2)nc1 96159049 AUEZCIKBPIQAMV-OAHLLOKOSA-N 318.421 1.184 0 40 DDAB CCC(CC)c1cc(C(=O)N2CCN([C@H](C)C(N)=O)CC2)on1 96423739 XSKUWPHTQLSJQN-LLVKDONJSA-N 322.409 1.210 0 40 DDAB CN(Cc1cncnc1)[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12 96186021 NJJLKEZSUQKKAR-ZACQAIPSSA-N 302.422 1.550 0 40 DDAB O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 96038784 BZWAGHJQRGVFMV-NVXWUHKLSA-N 301.390 1.341 0 40 DDAB Cc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1 95534127 ORKIQEZXHYGALF-OAHLLOKOSA-N 301.394 1.036 0 40 DDAB CN(C)S(=O)(=O)NCCNc1ncc(Cl)cc1Cl 96472834 XJOCNDJIVKTBKN-UHFFFAOYSA-N 313.210 1.196 0 40 DDAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]32)o1 96066396 MHPUCYZDLAZUKN-RBSFLKMASA-N 317.393 1.506 0 40 DDAB Cc1nc(N2CCN(C)CC2)c(Br)cc1C(=O)O 95097589 OEABMBHNYBAPJM-UHFFFAOYSA-N 314.183 1.603 0 40 DDAB Cn1ccnc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 96436883 MFMNYYLIDZCDLI-UHFFFAOYSA-N 318.808 1.965 0 40 DDAB CC(=O)[C@@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 242539053 JMYRQFURESEJJS-AIVZJVSBSA-N 311.337 1.416 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@H](c2ccn[nH]2)C1 257267479 MHMHKPOIHBFIBL-JTQLQIEISA-N 309.329 1.276 0 40 DDAB Cn1ccnc1CN1CCC(c2cc(O)n3nccc3n2)CC1 257311990 ULXYHBUAZGTPEA-UHFFFAOYSA-N 312.377 1.548 0 40 DDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1 253478774 NBRDPONKSDZCGM-OAHLLOKOSA-N 319.405 1.576 0 40 DDAB CO[C@H]1CN(C(=O)Cc2c(C)nn(C)c2C)CC[C@@]12CCCO2 257291191 QGAURNNECFMZGG-RDJZCZTQSA-N 321.421 1.376 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2cccc(F)c2)n1 257293880 QROYULNLHDPWTP-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB O=C(Nc1ccc2ncccc2c1)c1ccc(-n2cncn2)nn1 96097902 PSDOKEFWMFFOHK-UHFFFAOYSA-N 317.312 1.858 0 40 DDAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)CNC(C)=O)C1 585273126 ASJXPINZQQBNPJ-KRWDZBQOSA-N 320.389 1.127 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](Oc2ccncc2)C1 151137993 UWBZKFYSLUUZGX-ZDUSSCGKSA-N 323.374 1.528 0 40 DDAB CCNC(=O)[C@H](C)NS(=O)(=O)C[C@H]1CCCC(F)(F)C1 585141803 GDEZICNMOBFQIQ-UWVGGRQHSA-N 312.382 1.256 0 40 DDAB O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2CCOC2)CC1 66922077 VAAJJTMRDOSFDA-ZDUSSCGKSA-N 323.437 1.646 0 40 DDAB CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC(c2cncn2C)CC1 1548453334 ILRDBFHEXINPFR-ZBFHGGJFSA-N 306.410 1.877 0 40 DDAB O=C(CCNC(=O)NOCc1ccccc1)NC1CCCC1 69739079 RIOHKBUCYPCDKN-UHFFFAOYSA-N 305.378 1.866 0 40 DDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71865843 UKWSVVOFNWWJJK-JKSUJKDBSA-N 318.421 1.584 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccnc2)C1 72365177 NKMYPJKMIRXPPM-CYBMUJFWSA-N 318.402 1.678 0 40 DDAB Cc1cnc(OC2CCN(C[C@H]3CC(=O)N(C)C3)CC2)nc1 1776001570 KHPZUSRHGAZJFB-ZDUSSCGKSA-N 304.394 1.107 0 40 DDAB C[C@@H](CCc1cccc(F)c1)NC(=O)c1nccnc1C(N)=O 73731100 APCHSROVZOLQQT-JTQLQIEISA-N 316.336 1.466 0 40 DDAB Cc1c(Br)cccc1C(=O)N[C@H](C(N)=O)C(C)C 76065986 TUHPZBKOUPELIC-NSHDSACASA-N 313.195 1.997 0 40 DDAB C[C@H](CC(=O)NC(CO)CO)c1ccccc1Br 97113062 QRSMVGDNHSWGOU-SECBINFHSA-N 316.195 1.412 0 40 DDAB CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 95427418 FJSBSOHTOGNVHW-APPZFPTMSA-N 308.325 1.943 0 40 DDAB CCCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615126162 IXFVJTJPQCBVGM-KRWDZBQOSA-N 320.364 1.960 0 40 DDAB CN1CCN(C(=O)CSc2cnc3ccccc3n2)CC1 19596988 DLGNQBQOEOMTTR-UHFFFAOYSA-N 302.403 1.496 0 40 DDAB O=C(NC[C@@H]1CCCO1)Nc1cc2c3c(c1)CCN3C(=O)CC2 225549803 IPNLXJRLBPQUCL-AWEZNQCLSA-N 315.373 1.822 0 40 DDAB Cc1cc(C)cc(COCCOCn2cc(C)c(=O)[nH]c2=O)c1 4697976 JKLQLNLVRGEJPC-UHFFFAOYSA-N 318.373 1.653 0 40 DDAB CCCCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 7422373 CMHMYFJEHICMJR-UHFFFAOYSA-N 315.377 1.881 0 40 DDAB COc1cc(C(=O)N2CCNC(=O)C2(C)C)cc(OC)c1OC 12234684 WGMHZPXJLDKGIU-UHFFFAOYSA-N 322.361 1.063 0 40 DDAB Cc1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1 16849909 MRCYNNNBAAOPQA-UHFFFAOYSA-N 315.373 1.494 0 40 DDAB O=C(O)c1cc(OS(=O)(=O)c2ccccc2)cc(C(=O)O)c1 2655197 QPOVEUDASOMNSM-UHFFFAOYSA-N 322.294 1.851 0 40 DDAB COc1ccc2c(C)cc3nnc(SCC(N)=O)n3c2c1 5689486 LZGQNUMYLVNZHN-UHFFFAOYSA-N 302.359 1.777 0 40 DDAB COc1cccc(C(=O)Nc2nnc3n2CCS3)c1OC 16960757 BTJIYRLUEOUJML-UHFFFAOYSA-N 306.347 1.653 0 40 DDAB CCOC(=O)C(NC(=O)c1cc2ccccc2o1)C(=O)OCC 25974924 VMSBCYKCJPPSFZ-UHFFFAOYSA-N 319.313 1.657 0 40 DDAB O=S(=O)(c1ccccc1)N1CCN(c2nccs2)CC1 14098910 LREOYOKTLXUWPD-UHFFFAOYSA-N 309.416 1.654 0 40 DDAB O=C(c1cnc[nH]1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238868433 MHUSFVPECDOMFG-QWHCGFSZSA-N 309.329 1.816 0 40 DDAB CC(C)c1nnc(N2CCN(c3ccc(O)nn3)CC2)s1 2086918822 RWETVCJQTPDFKX-UHFFFAOYSA-N 306.395 1.484 0 40 DDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccccc2F)C1=O 17244071 VXASVSUCKJVLAD-DTORHVGOSA-N 310.350 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CC(C)c1cnc(CN(C)[C@@H]2CCN([C@@H]3CCOC3=O)C2)o1 84630698 RLUKKBSYXVFXDK-CHWSQXEVSA-N 307.394 1.620 0 40 DDAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[C@H]1CCCO1 46219854 HOEGZLZBQIEBIG-MRCXROJRSA-N 306.337 1.935 0 40 DDAB CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)C(C)C 11867229 YAVBMJGETHMRHR-UHFFFAOYSA-N 302.378 1.827 0 40 DDAB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c1 11984352 JIMQFDIKAMRGNO-VIFPVBQESA-N 317.301 1.375 0 40 DDAB COc1cccc(NC(=O)NCCCCN2CCOCC2)c1 46750607 MBMKROMOZRZCCO-UHFFFAOYSA-N 307.394 1.929 0 40 DDAB C[C@@H]1CCCCN1CCNC(=O)C1CCN(C(=O)C2CC2)CC1 46857774 FYOJGWRGMZZCHE-CQSZACIVSA-N 321.465 1.626 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](C)N1CCC[C@H](C)C1 46952412 QHFFNWNAKHZLNP-STQMWFEESA-N 306.454 1.816 0 40 DDAB C[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)C[C@@H](C)O1 46966402 UATYGVYRNUNIEO-CHWSQXEVSA-N 315.377 1.586 0 40 DDAB O=C1NC(=O)[C@H](CCC(=O)N(Cc2ccc(F)cc2)C2CC2)N1 61526066 DDKCTKXVLHVLII-ZDUSSCGKSA-N 319.336 1.305 0 40 DDAB CCN1C[C@@H](COC(=O)c2ccc(N(C)C)cc2F)CC1=O 95434699 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C[C@H]1CN(C)CCN1C(=O)c1csc(-c2ccccn2)n1 89938835 ROROTUBNMYCRJD-NSHDSACASA-N 302.403 1.981 0 40 DDAB Fc1cnc(N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)nc1 306128127 GQTWSXMQMGKQPK-LSDHHAIUSA-N 306.385 1.695 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)cc1N(C)C 547939550 LDQRSTOMPINPFR-NEPJUHHUSA-N 324.402 1.369 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(CC2=CCCOC2)C1 548018327 KNMZVVDOGRJAKL-MRXNPFEDSA-N 321.446 1.835 0 40 DDAB CCn1nccc1CN1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 548677443 FWWSYUXHDRYEIM-CYBMUJFWSA-N 311.393 1.054 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1C[C@H]1c1ccco1 515520814 CGAJSYKSVDYTNR-IRCOFANPSA-N 312.391 1.353 0 40 DDAB COc1ccc(-c2nc(C(N)=S)c(NCCC(=O)O)o2)cc1 35672439 BTVNOUNYAOWHGI-UHFFFAOYSA-N 321.358 1.871 0 40 DDAB CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)NC(C)C)n2)C1 72365639 MIGVVUMKBHSCTM-ZDUSSCGKSA-N 304.394 1.416 0 40 DDAB CO[C@@H](C(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1 78914840 ADECEJDPJHLMPD-QGZVFWFLSA-N 319.449 1.470 0 40 DDAB O=C(COCc1cccnc1)N1CCOC2(CCOCC2)CC1 561619186 RWTAXQKWSZCRDU-UHFFFAOYSA-N 320.389 1.396 0 40 DDAB CCOC(=O)[C@](C)(Cc1ccc(OC)c(OC)c1)NC(C)=O 77270142 XWRFXUZBQOBPGB-INIZCTEOSA-N 309.362 1.704 0 40 DDAB in-vitro Cc1cccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1C 217391591 KZQDNBPWHHWSSH-UHFFFAOYSA-N 302.330 1.901 0 40 DDAB CCN(C(=O)NCc1ccoc1C)[C@@H](C)CS(C)(=O)=O 79036241 MXTVZBAUXUGNDL-JTQLQIEISA-N 302.396 1.553 0 40 DDAB COCCNC(=S)N1CCN(Cc2cccc(O)c2)CC1 225221456 ZJLBPVNAVKDXLA-UHFFFAOYSA-N 309.435 1.031 0 40 DDAB CCn1nc(C)c2c1cnn2CC(=O)Nc1nc(C)cs1 41123920 IIBIWISNIXWEHM-UHFFFAOYSA-N 304.379 1.965 0 40 DDAB Cn1c(N2CCOCC2)nc2sc3c(c2c1=O)CCCC3 41393841 RPFBGQABROPOJQ-UHFFFAOYSA-N 305.403 1.710 0 40 DDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCc2[nH]cnc2C1 225515495 YIQVRIJCAVHHSX-NWDGAFQWSA-N 313.357 1.471 0 40 DDAB Cc1csc(N2CCN(CCCN3CCCC3=O)CC2)n1 64141327 XHQKJMMSNKHZSI-UHFFFAOYSA-N 308.451 1.586 0 40 DDAB Cc1ncc(CN(C)[C@@H]2CC(=O)N(CC(F)(F)F)C2=O)s1 195238046 VQUZVNSSFRHHER-SECBINFHSA-N 321.324 1.573 0 40 DDAB Cc1cnccc1CNC(=O)N1CCCN(C(=O)C2CC2)CC1 195571725 HEXUCBQRKPGLCX-UHFFFAOYSA-N 316.405 1.544 0 40 DDAB CC(C)(O)C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 191824995 UUBUVDVODARANW-UHFFFAOYSA-N 324.425 1.172 0 40 DDAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCN1C[C@H](C)O[C@H](C)C1 96486414 GVVNUXXDSIPYGM-UPJWGTAASA-N 322.453 1.746 0 40 DDAB CCN1CCN(C)C2(CCN(C(=O)C3CC=CC3)CC2)C1=O 96230046 JWZDJIABJPUUCE-UHFFFAOYSA-N 305.422 1.108 0 40 DDAB CCOC(=O)Cn1c(=N)sc2cc(S(C)(=O)=O)ccc21 334159716 ZCLYQQFUALCQAB-UHFFFAOYSA-N 314.388 1.149 0 40 DDAB CC(C)CNC(=O)CN1CCNC(=O)[C@H]1c1ccccc1Cl 96502314 LVZYWUKRJUIAHE-OAHLLOKOSA-N 323.824 1.585 0 40 DDAB C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nnn[nH]1 97377624 NMSJRLUFMPEDLL-MRVPVSSYSA-N 315.786 1.277 0 40 DDAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1conc1C)C2 96229853 ZFAIVSLMAKCNKV-MRXNPFEDSA-N 305.378 1.990 0 40 DDAB Cc1cccc(CN2C[C@@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)c1 96185855 XQHASDNKCMKOJT-BRWVUGGUSA-N 317.433 1.998 0 40 DDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C[C@H]1C=CCC1 96041502 FFBZDCHQMHZDDF-LISAXSMJSA-N 322.449 1.679 0 40 DDAB Cc1sc(=O)n(CCC(=O)Nc2cncnc2N(C)C)c1C 96482579 BJIHWOCDAIOUBN-UHFFFAOYSA-N 321.406 1.411 0 40 DDAB COCCNC(=O)c1nnn(Cc2ccc(C)cc2)c1OC 96183353 LTGCIOJXMWTESY-UHFFFAOYSA-N 304.350 1.020 0 40 DDAB CCc1c(Cl)nc(C)nc1NC1CCN(CC(N)=O)CC1 96429113 ZDHQASHHGVREPD-UHFFFAOYSA-N 311.817 1.362 0 40 DDAB Cn1cnnc1CN1CCC[C@H]1C(=O)NCC1CCCCC1 96484096 UUIMNJYHUQEALA-AWEZNQCLSA-N 305.426 1.476 0 40 DDAB CO[C@@H]1CCN(C(=O)COc2ccc(F)cc2)[C@H]2CCO[C@@H]21 96218019 MXKXLXZJRPZKJX-LZWOXQAQSA-N 309.337 1.609 0 40 DDAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C(C)C)o1 96115063 UGNJAPIOBAIYIZ-GFCCVEGCSA-N 309.362 1.642 0 40 DDAB biogenic CNC(=O)c1cnc2n1CCN(Cc1ccc(OC)cc1)C2 96198622 VFXUKFSYNFWQNZ-UHFFFAOYSA-N 300.362 1.267 0 40 DDAB COCC[C@@H]1CCOC12CN(C(=O)c1ccc3c(c1)OCO3)C2 247888594 SJRSNHQUERMDLY-CYBMUJFWSA-N 319.357 1.683 0 40 DDAB CO[C@H](C)CN(C)C(=O)c1cccc(-c2cnc(N)nc2)n1 257237421 HGJZAOVSQNHICG-SNVBAGLBSA-N 301.350 1.228 0 40 DDAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cnccn3)C2)s1 257343858 ZURMFQNPVVFSPZ-GFCCVEGCSA-N 304.375 1.764 0 40 DDAB COc1ccc([C@H]2CNCCN2Cc2cnn(C)c2C)cc1 257303265 SGLGSGPKMDGCAC-QGZVFWFLSA-N 300.406 1.884 0 40 DDAB CCOc1cccc([C@@H](O)CN(C)C(=O)c2cncnc2O)c1 257242308 IBWPXSGDRYRSDO-AWEZNQCLSA-N 317.345 1.387 0 40 DDAB Cc1cnc(C(=O)N2CCCC[C@]3(C)NC(=O)CCC[C@H]23)cn1 257295957 RAPQPXPNCNHOLY-YOEHRIQHSA-N 316.405 1.839 0 40 DDAB CNc1nccnc1C[C@H]1CCCN(Cc2cnn(C)c2)C1 257251157 JPROEHCYONACLX-CYBMUJFWSA-N 300.410 1.707 0 40 DDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257280075 OJIFJEAWXGQSHP-AWEZNQCLSA-N 301.394 1.975 0 40 DDAB Cc1ccc(CN2CCOC[C@@H]2c2cc(O)nc(C)n2)cn1 257210699 BVTFXNUHOFZACA-OAHLLOKOSA-N 300.362 1.768 0 40 DDAB COCC[C@H](CO)NC(=O)NCc1ccc(Br)o1 252507616 WPQQYWFECJGVSL-MRVPVSSYSA-N 321.171 1.239 0 40 DDAB Cn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1 257208638 BMYLXOHNHGGCTJ-CYBMUJFWSA-N 320.418 1.306 0 40 DDAB O=C(O)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCC=C2 263482522 AWJIWYDBDJOWTM-OAHLLOKOSA-N 301.342 1.962 0 40 DDAB COc1ccc(C(=O)O)c(NS(=O)(=O)C[C@H](C)OC)c1 282165194 HFJXDPZAIIJNGU-QMMMGPOBSA-N 303.336 1.170 0 40 DDAB O=C(NCc1cn(-c2ccncc2)nn1)c1ccc2c(c1)OCO2 390829121 CUSHYWFJEAVMBT-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB CCOC[C@H]1Cc2c(ncn2C)CN1Cc1c(C)noc1C 585094775 LYUAWHCHLBITJM-CYBMUJFWSA-N 304.394 1.988 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CC[C@H]2CCCO2)CC1 69770348 SHZLBJXXMAEOMH-CABCVRRESA-N 312.454 1.497 0 40 DDAB Cc1cc(OCC2CCN(Cc3nncn3C)CC2)ccn1 1776000519 MPCGYOQDBRSKNZ-UHFFFAOYSA-N 301.394 1.810 0 40 DDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCSCC1 53802748 RFLKHUKBONFUGW-UHFFFAOYSA-N 305.407 1.249 0 40 DDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC 5351354 SMJHXRNGHOVVQS-DCAQKATOSA-N 316.423 1.000 0 40 DDAB COc1ccc(-c2cc(N)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 12243765 FPWZMCROLKJZHA-LLVKDONJSA-N 307.375 1.501 0 40 DDAB Cn1ccnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 12444478 HSMAEWMYUOLXKS-UHFFFAOYSA-N 306.316 1.661 0 40 DDAB COc1cc2c(cc1OC)CN(c1ccc3nnnn3n1)CC2 14242667 ACNDPWSKCZQEBK-UHFFFAOYSA-N 312.333 1.099 0 40 DDAB CNC(=O)[C@@]1(C)CCCN1C(=O)c1cn2cccc(C)c2n1 19746480 KTBBNWZISAFIQE-MRXNPFEDSA-N 300.362 1.383 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1CCN(Cc2ccccn2)CC1 159090812 DULHQZANPNJTKH-INIZCTEOSA-N 318.421 1.478 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)NCc1nccc(N(C)C)n1 207978745 BZFHFKSRULQGOM-UHFFFAOYSA-N 324.381 1.469 0 40 DDAB O=C1CCC(C(=O)OCC(=O)c2ccc(Cl)s2)=NN1 4349459 IRKWPCBWIZXIEE-UHFFFAOYSA-N 300.723 1.393 0 40 DDAB CCOC(=O)NC(=O)COC(=O)CCc1ccccc1OCC 5151503 XESZYLRWJAJTKA-UHFFFAOYSA-N 323.345 1.834 0 40 DDAB c1cc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)ccn1 1204080949 AGZPRGAJFZNHRO-UHFFFAOYSA-N 324.432 1.794 0 40 DDAB FC(F)(F)c1cccc(OC2CN(CCn3ccnn3)C2)n1 1888843130 JOQRPLUWVOKQEG-UHFFFAOYSA-N 313.283 1.455 0 40 DDAB CN([C@@H]1CCN(c2ncnc3sccc23)C1)S(C)(=O)=O 1888853495 OARAVJOBQJPOTH-SECBINFHSA-N 312.420 1.161 0 40 DDAB CN([C@H]1CCN(c2nc3ccccc3s2)C1)S(C)(=O)=O 1888863914 DOGPHWZSJOMJQA-JTQLQIEISA-N 311.432 1.766 0 40 DDAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3c2cc(=O)n(C)c(O)n2)c1 1889077193 DICXPRYYCFYFPL-FUNVUKJBSA-N 315.377 1.363 0 40 DDAB Cc1nc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)co1 1889101188 LAYGELQKJMFDCZ-ZDUSSCGKSA-N 309.435 1.770 0 40 DDAB CC(=O)N(C)[C@H]1CC2(CCN(C3CCCC3)CC2)OC[C@]1(C)O 2037849766 GMYRBMWMDGRUAG-IRXDYDNUSA-N 324.465 1.782 0 40 DDAB CC(C)CCn1ccn(-c2ccc3c(c2)OCCO3)c(=O)c1=O 2086939625 NFVPTSYXWOKSRU-UHFFFAOYSA-N 316.357 1.817 0 40 DDAB CCOc1ccc(S(=O)(=O)Nc2nncs2)cc1F 2087072109 VEROWJWLGNNXIS-UHFFFAOYSA-N 303.340 1.877 0 40 DDAB COC[C@@H]1CCC[C@@]12CN(C(=O)CCc1cncnc1)CCO2 1565548197 ZKLZBJXLSIYLTC-DOTOQJQBSA-N 319.405 1.453 0 40 DDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1cccc(F)c1 4941444 VAGQBWLYJYNZHE-ZDUSSCGKSA-N 322.336 1.566 0 40 DDAB Cc1ccc(OCC2CCN(c3cc(=O)n(C)cn3)CC2)nn1 1775966236 VMAVAANBYGROTH-UHFFFAOYSA-N 315.377 1.174 0 40 DDAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1CC1 23127542 SRHJMMBHWQJPHB-UHFFFAOYSA-N 321.446 1.355 0 40 DDAB CN(C)c1ccc(C(=O)N2CC[C@H](Oc3ccncn3)C2)cc1 575610558 KTUAPLOEEYZPOL-HNNXBMFYSA-N 312.373 1.836 0 40 DDAB O=C(CN(Cc1ccc(O)cc1)C[C@H]1CCCO1)N1CCCC1 97104756 ILPNXWGNFBMONL-QGZVFWFLSA-N 318.417 1.996 0 40 DDAB Cc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)no1 21602765 LWKDAFCJYBSOTK-UHFFFAOYSA-N 321.358 1.775 0 40 DDAB NC(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 40460913 DAQIHQYLYVRUAO-HNNXBMFYSA-N 324.336 1.183 0 40 DDAB Cn1ncc2c(N3CCC(CN4CCCC4)CC3)ncnc21 52357580 PEDGNHUYODCUDG-UHFFFAOYSA-N 300.410 1.676 0 40 DDAB O=C(c1cnn(CCN2CCCCC2)c1)N1C[C@H]2CC[C@H]1C2 104069278 RXAUIMWOSJJICF-HOCLYGCPSA-N 302.422 1.994 0 40 DDAB Cc1noc(C2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1 54347300 OACROCHFMADQBJ-LBPRGKRZSA-N 306.410 1.958 0 40 DDAB C[C@H](NC(=O)N1CCCSCC1)[C@H](C)N1CCOCC1 105298801 OVSCXWBETIUPNC-STQMWFEESA-N 301.456 1.244 0 40 DDAB Nc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 24056428 XIPPPXDGWNLEIF-UHFFFAOYSA-N 317.780 1.675 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1F 77105354 KABZCWTZTUKMFW-NSHDSACASA-N 311.375 1.357 0 40 DDAB C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H]1N(C)C 78894874 GEUWDELPQNAHEA-GWCFXTLKSA-N 319.430 1.753 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccccc1 1236628 TYXMNZHESBVJJD-XEHSLEBBSA-N 317.414 1.311 0 40 DDAB Cc1nn(C)c2ncc(CNC[C@H]3CN(C4CC4)CCO3)cc12 106379541 SXRUBCMDKOHAGL-HNNXBMFYSA-N 315.421 1.230 0 40 DDAB COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CC(=O)NC2CC2)c1 106602412 XUNFTGHASDENLA-LSDHHAIUSA-N 302.374 1.536 0 40 DDAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCOCC1 12514380 NRZPYPROHDZVGC-GHMZBOCLSA-N 319.361 1.065 0 40 DDAB CCOc1cc2c(cc1CNC[C@H]1CN(C)CCO1)O[C@@H](C)C2 106905616 QVQHTZZJZBTDHK-BBRMVZONSA-N 320.433 1.829 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccs1 25362342 BOQFMMBNXCEYLH-LLVKDONJSA-N 302.421 1.178 0 40 DDAB C[C@@H]1CN(C(=O)CN2C[C@H](O)C[C@H]2C2CCCCC2)C[C@@H](C)O1 107352538 RCHJQXHOFKRECN-SRABZTEZSA-N 324.465 1.638 0 40 DDAB CONC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 25823819 PVPLRSOLCLSHPI-UHFFFAOYSA-N 309.325 1.985 0 40 DDAB CS(=O)(=O)CCNC(=O)Cc1ccc(Cl)c(Cl)c1 56879770 SOOZQUNXWWBLQH-UHFFFAOYSA-N 310.202 1.697 0 40 DDAB Cc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35380472 KVXDGYYJEKOLRQ-KRWDZBQOSA-N 323.396 1.764 0 40 DDAB Cc1ccc(C)c([C@@H](C)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 57456760 JNEKDFZFRVTCIW-ZIAGYGMSSA-N 324.446 1.257 0 40 DDAB CS[C@@H](CO)[C@H](C)NC(=O)c1cncc(Br)c1 89598359 SXKXZLJNYRLJKC-XVKPBYJWSA-N 319.224 1.686 0 40 DDAB CCCCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1 2025062 DUYALMSYLLLOLL-GFCCVEGCSA-N 308.378 1.691 0 40 DDAB Cc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc32)c(=O)[nH]1 75120486 JXCONJCPMSGWDN-ZDUSSCGKSA-N 311.385 1.864 0 40 DDAB COC(=O)c1ncn(Cc2nc(O)c3cc(Cl)ccc3n2)n1 75137285 LSZDHJFDJVYRJF-UHFFFAOYSA-N 319.708 1.415 0 40 DDAB CNC(=O)CN1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 48060991 DCCPMBZUYNMUAU-GFCCVEGCSA-N 322.409 1.159 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCCO1 48079692 NURDFOMFBPPEGD-OCCSQVGLSA-N 320.393 1.607 0 40 DDAB Cc1cccc(NC(=S)NNC(=S)NC(=O)C2CC2)c1C 3257191 QKGLTYDTJXNPRQ-UHFFFAOYSA-N 322.459 1.906 0 40 DDAB CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 75108910 OJZBIDLPEIWRKZ-DZGCQCFKSA-N 320.458 1.945 0 40 DDAB CO[C@@H](C)c1noc(Cn2cnc3sc(C)cc3c2=O)n1 89695060 DSVPYMAIXFOBPV-QMMMGPOBSA-N 306.347 1.905 0 40 DDAB CC(C)N1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 45522277 WAIYKMDNZIHPFS-AWEZNQCLSA-N 301.390 1.665 0 40 DDAB Cc1csc(CN2C[C@H](C(=O)NC(C)C)[C@H]3OCC[C@H]32)n1 108535168 NLEDECMYANMELS-OUCADQQQSA-N 309.435 1.565 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)NC2CCN(C(C)=O)CC2)c1C 12699200 HFMKXFPKJVAWRW-UHFFFAOYSA-N 321.377 1.159 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1Cc2ccccc2O1 48367390 SOUFVBTUUBOUDL-ZFWWWQNUSA-N 319.405 1.010 0 40 DDAB Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1C 3417517 GTODZLVSTGMXPB-UHFFFAOYSA-N 317.374 1.201 0 40 DDAB CCNC(=O)[C@@H](C)NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 12981195 OAXJIUZBLREFBQ-VHSXEESVSA-N 307.350 1.300 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 12997573 YAGWDFOAVUUGTC-UHFFFAOYSA-N 311.384 1.967 0 40 DDAB in-vitro COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N(C)C)cc1 4162497 ANBMNLDQDCHAOU-ZDUSSCGKSA-N 317.345 1.189 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccn(-c2ccccc2F)n1 65407759 CQZVLEUTRKPANQ-UHFFFAOYSA-N 305.309 1.693 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 65548223 BWTZCMNMPGEOFE-PORFMDCZSA-N 301.371 1.643 0 40 DDAB CC1(C)COCCN1C(=O)CCc1nc(-c2ccccn2)no1 65516044 VNXNUGWFHKCZLO-UHFFFAOYSA-N 316.361 1.702 0 40 DDAB CNS(=O)(=O)CC(=O)NCc1cc2c(s1)CCCCC2 83601194 HUWLCTPUJJDJES-UHFFFAOYSA-N 316.448 1.182 0 40 DDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN2CCCC[C@@H]2C1 71808778 KMTMTGKLEPKALY-GFCCVEGCSA-N 312.373 1.233 0 40 DDAB NC(=O)[C@H](CNC(=O)COC1CCCC1)Cc1ccc(F)cc1 71841526 ASUFXIIVCVCPTE-ZDUSSCGKSA-N 322.380 1.545 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ccncc3F)CCO2)n1 83830037 REYREUJNPVICSR-LLVKDONJSA-N 305.313 1.115 0 40 DDAB C[C@H](CNC(=O)c1cc(-c2cccnc2)on1)N1CCCC1 68064710 ARBOTMZTCPIVAV-GFCCVEGCSA-N 300.362 1.951 0 40 DDAB Cc1ccccc1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 81088262 AHOWZXMWVIQOJA-HNNXBMFYSA-N 302.374 1.505 0 40 DDAB O=C(O)[C@@H]1COCCN1C(=O)c1sccc1Br 88374057 VWERCZHZFXKEDP-ZETCQYMHSA-N 320.164 1.436 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cnc(C)cn3)CCO2)n1 76045803 QWMOSCRYLLYGSE-LBPRGKRZSA-N 316.365 1.069 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCc2nccn2C1 69391755 UXZRPDAXTUFRPJ-CYBMUJFWSA-N 301.394 1.297 0 40 DDAB Cc1cc(C)n(C[C@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 69349716 GJKGSOPWXQCFHS-CQSZACIVSA-N 317.393 1.661 0 40 DDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](n2cccn2)C1 69421025 OBZSZRMRANUCMJ-GFCCVEGCSA-N 311.345 1.530 0 40 DDAB COC(=O)c1ccc(N2CCN(c3nccs3)CC2)nn1 69569937 MWDIPZNMIXFOFU-UHFFFAOYSA-N 305.363 1.046 0 40 DDAB Cc1ccc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nc1 69674946 IPKZALYAIGBUCU-UHFFFAOYSA-N 317.374 1.781 0 40 DDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1cccnc1 69775391 VYWVUOXAYJNANW-CYBMUJFWSA-N 300.366 1.024 0 40 DDAB COc1ccccc1CCNC(=O)c1cc(=O)c(OC)cn1C 70666345 TXJPKBJFJFCQAM-UHFFFAOYSA-N 316.357 1.375 0 40 DDAB biogenic Cc1ccc2c(N)c(C(=O)N3CCC[C@H]3C(=O)O)sc2n1 8783639 HDUVMUHMMQPXOZ-VIFPVBQESA-N 305.359 1.876 0 40 DDAB biogenic,in-vitro c1cc2c(cc1C1=NN=C(NC[C@@H]3CCCO3)SC1)OCO2 8943897 LMSHVGCSGRVODS-NSHDSACASA-N 319.386 1.991 0 40 DDAB O=C(NS(=O)(=O)N1CCc2ccccc2C1)c1ccoc1 72275867 ZLKQIUMNLJLYHZ-UHFFFAOYSA-N 306.343 1.313 0 40 DDAB O=C(c1cccc2c1OCO2)N1CCN([C@H]2CCC[C@H]2O)CC1 72269171 ZOXVRQMBQDICBJ-UONOGXRCSA-N 318.373 1.087 0 40 DDAB CCN1CCN([C@H](C)CNC(=O)/C=C/c2ccc(C)nc2)CC1 95993686 HZUCTVPNVLQLAK-KXPUMZMLSA-N 316.449 1.545 0 40 DDAB C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCS1 97163404 RNCVPSNVHSEMGN-HOCLYGCPSA-N 321.490 1.843 0 40 DDAB O=C(NC1(c2ncon2)CCOCC1)c1ccc2c(c1)CCC2 97141942 MKSAQVOYSPZAHC-UHFFFAOYSA-N 313.357 1.994 0 40 DDAB CCOc1cccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1O 409130073 TYOPGHDDJRDIDT-UXBLZVDNSA-N 323.326 1.912 0 40 DDAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCC[C@@H](n2ccnn2)C1 514865793 CCKYRPLWWABLIT-ZIAGYGMSSA-N 304.325 1.880 0 40 DDAB COc1ccc(CN(C)C(=O)c2ccc[nH]c2=O)cc1OC 32721262 WGHMKNJRPHGHSX-UHFFFAOYSA-N 302.330 1.664 0 40 DDAB CCN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 79412834 WHEZFDXMQYFQOJ-ZFWWWQNUSA-N 319.405 1.593 0 40 DDAB C[C@H](N)C(=O)N1CC[C@@H](CNC(=O)OCc2ccccc2)C1 79412676 PBGLBNZHZAHXEB-JSGCOSHPSA-N 305.378 1.109 0 40 DDAB O=C(O)CSCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 564967500 SHMGXXYTTBYJMC-JTQLQIEISA-N 324.406 1.206 0 40 DDAB CCOC(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2)C1 40539199 ZXCNPIDBRQJEQP-CYBMUJFWSA-N 306.362 1.803 0 40 DDAB Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(-n2cnnn2)cc1 49026438 ADNIHHUDSWDTRV-UHFFFAOYSA-N 311.349 1.574 0 40 DDAB O=C(Nc1nnc(S(=O)(=O)NC2CC2)s1)c1ccccc1 225847795 OAMHWCFLTVAECP-UHFFFAOYSA-N 324.387 1.231 0 40 DDAB COc1ccccc1-c1cc(=O)n([C@@H]2CCS(=O)(=O)C2)[nH]1 49551268 HFXSTGRAUBBDPP-SNVBAGLBSA-N 308.359 1.212 0 40 DDAB COc1ncccc1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 225520718 NZTLIUQIGHQHOR-LLVKDONJSA-N 300.362 1.543 0 40 DDAB COCCC(=O)N1CC2(CCN(Cc3ccncc3)CC2)C1 96070987 PFOOEAZIYUDNDX-UHFFFAOYSA-N 303.406 1.543 0 40 DDAB CN1CCCN(C(=O)c2ccnn2-c2ccc3ccccn23)CC1 96155218 KPGHBLIGLWGNDD-UHFFFAOYSA-N 323.400 1.903 0 40 DDAB CCN(CC)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1 96181455 DUKNWDOTDRWZIR-CVEARBPZSA-N 304.390 1.762 0 40 DDAB Cc1c[nH]cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1=O 332282366 FAGSVIPUNLFBEE-CYBMUJFWSA-N 304.371 1.959 0 40 DDAB CC(C)[C@@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1ccccn1 96440631 GAWJAJIIDQYCRO-LSDHHAIUSA-N 317.393 1.545 0 40 DDAB CC(C)OCCS(=O)(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 96451053 HBQZUTCAFFUGLE-RRFJBIMHSA-N 316.467 1.157 0 40 DDAB CC[C@@H](C)n1cnc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1 96472806 XCPOMRNHGQRCLI-OCCSQVGLSA-N 313.423 1.655 0 40 DDAB c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)cn1 96047567 PCYJXNLEZDMUNJ-GOEBONIOSA-N 300.362 1.915 0 40 DDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccoc1)CCN(C(C)=O)C2 96036130 GYPKQFIYHXNTGW-QGZVFWFLSA-N 319.405 1.182 0 40 DDAB O=C(c1cscn1)N1CCC2(CN(Cc3ccncc3)C2)C1 96046440 ZCRFHTVPRXPVIA-UHFFFAOYSA-N 314.414 1.886 0 40 DDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(Cc3nccn3C)C2)C1=O 96161455 MFQBOOGLIRVOPS-QFBILLFUSA-N 324.428 1.868 0 40 DDAB O=C(NC1CC1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 96073776 LCCKUAJWLRPHBQ-CZUORRHYSA-N 317.393 1.384 0 40 DDAB Cn1nc(COCC2CC2)c2c1CCN(C(=O)c1ccno1)C2 96259812 FRICZAGIVJCHJV-UHFFFAOYSA-N 316.361 1.533 0 40 DDAB Cc1ccc(N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)nn1 96201395 RDKOUXTXCBOLEV-UHFFFAOYSA-N 316.405 1.393 0 40 DDAB c1nnc(N2CCC[C@]3(C2)CN(C2CCOCC2)CCO3)s1 96226637 LFHZHAGLJGXDTL-OAHLLOKOSA-N 324.450 1.388 0 40 DDAB CO[C@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1cnn(C)c1 96200603 UZFFZHOOTYYQKI-HOTGVXAUSA-N 314.389 1.216 0 40 DDAB C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC[C@H]1CCCc2ccccc21 249628080 UMYSGJMWVMMDJC-XPKDYRNWSA-N 315.417 1.930 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 245344188 XZFMXQUWWTXRPO-XJFOESAGSA-N 316.467 1.708 0 40 DDAB Cc1cc(C(=O)N2C[C@H]3CC[C@@H](Nc4cccnn4)[C@H]3C2)no1 257318656 VOXIYQIZIGNIIP-FRRDWIJNSA-N 313.361 1.736 0 40 DDAB CN1CCO[C@H](CNC(=O)C(C)(C)COCc2ccccc2)C1 252488116 IKAIBQHZERWAEJ-MRXNPFEDSA-N 320.433 1.676 0 40 DDAB Cc1cc(NC(=O)C(=O)NCC[C@@H](O)c2cc(C)oc2C)no1 85561933 VZTLAPFAPOZOFS-GFCCVEGCSA-N 321.333 1.371 0 40 DDAB CN1CCN(C(=O)CCc2ccnn2C)C[C@H]1c1ccccc1 257205424 AYYWTDUPHVYCDD-KRWDZBQOSA-N 312.417 1.868 0 40 DDAB O=C(CCSc1ccccc1)N1CC(N2C(=O)COC2=O)C1 253472766 PHQXWRKAWZRFSU-UHFFFAOYSA-N 320.370 1.358 0 40 DDAB Cc1cc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)on1 257337668 YTVNXLNAGLMWCR-AWEZNQCLSA-N 316.361 1.658 0 40 DDAB Cc1cc(C)n(CC(=O)N2CC[C@@H]3[C@H](CCCC(=O)N3C)C2)n1 257259950 LATGYTOGZJSYAE-HUUCEWRRSA-N 318.421 1.359 0 40 DDAB COCCN1CCC[C@H](c2nccnc2-c2cnn(C)c2)C1 257281072 ONMCTTUTPLZMBY-ZDUSSCGKSA-N 301.394 1.703 0 40 DDAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(C(=O)O)nn2)C1 575415018 JCRXMYZZJBUPBV-JTQLQIEISA-N 322.365 1.668 0 40 DDAB Cn1cnc2c1C[C@H](CO)N(C(=O)c1cn(C)c3ccccc13)C2 585095003 YZSNRISKMZNHCD-GFCCVEGCSA-N 324.384 1.471 0 40 DDAB COc1ccc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C)cc1 66657672 XPBUCELJMKLDQB-CYBMUJFWSA-N 308.403 1.227 0 40 DDAB O=S(=O)(NCCNCc1ncc[nH]1)c1cccc(Cl)c1 67694966 YKJWWXZBYJIEDN-UHFFFAOYSA-N 314.798 1.131 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(Cc3ccncc3)CC2)n1 68125579 LAWROJKNULNVAY-UHFFFAOYSA-N 312.421 1.568 0 40 DDAB Cc1cc(=NC(=O)NC[C@H]2CCC3(CCOCC3)O2)cc(C)[nH]1 1553077033 ANYMQWZINLUHOD-OAHLLOKOSA-N 319.405 1.970 0 40 DDAB NS(=O)(=O)CCNc1ncc(C(F)(F)F)cc1Cl 36745972 KTLLXFNACPUXQX-UHFFFAOYSA-N 303.693 1.454 0 40 DDAB CC(C)N(C)S(=O)(=O)N[C@H](C)c1ccc2c(c1)OCCO2 44937278 UANPZNLTIFYLBI-LLVKDONJSA-N 314.407 1.693 0 40 DDAB CCNC(=O)CN(CC)CCC(=O)N1CCc2sccc2C1 55901129 OATLVXIJBBWEKY-UHFFFAOYSA-N 323.462 1.481 0 40 DDAB CCCC(=O)N1CCC(C(=O)N=c2[nH]c3ccccc3[nH]2)CC1 54845984 YUSQCDIUMLEJKY-UHFFFAOYSA-N 314.389 1.962 0 40 DDAB CN(C)CC(=O)Nc1ccc(NC(=O)c2ccnc(F)c2)cc1 73306738 ZXZGLGAVMWYUBD-UHFFFAOYSA-N 316.336 1.973 0 40 DDAB CC1CCN(C(=O)CN2CC(c3nc(C4CC4)no3)C2)CC1 75156382 RGXRTKFIXYXGHI-UHFFFAOYSA-N 304.394 1.605 0 40 DDAB O=C1CNC(=O)N1CCN1CCC(Cc2cccc(F)c2)CC1 77178371 AVHJKBXPVWFXMY-UHFFFAOYSA-N 319.380 1.632 0 40 DDAB CNC(=O)[C@@H](Cc1ccccc1)NC[C@@H]1Cc2ccccc2O1 97371679 QQWWMZJTOUTXIC-DLBZAZTESA-N 310.397 1.937 0 40 DDAB Cc1cc(C)nc(N2CCN(c3nc(C)nc(C)c3F)CC2)n1 679932745 OOLGWDCZTSPLSB-UHFFFAOYSA-N 316.384 1.966 0 40 DDAB COC(=O)c1cc(I)cc([N+](=O)[O-])c1N 575641469 VHMJMJCFNKVTIC-UHFFFAOYSA-N 322.058 1.568 0 40 DDAB O=C(CS(=O)(=O)c1cccs1)NCCc1ccccc1 11666452 IWAOMEQLIPWIQI-UHFFFAOYSA-N 309.412 1.881 0 40 DDAB CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)ccc1=O 11780861 VEAQHDINVIGFPO-UHFFFAOYSA-N 312.373 1.226 0 40 DDAB CC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1=O 13165029 VANPHHLNAYJHEL-WOPDTQHZSA-N 323.393 1.127 0 40 DDAB Cc1cccc(OCC(=O)N2CCN(c3nccn3C)CC2)c1 13693533 AUAHSICJUKASBA-UHFFFAOYSA-N 314.389 1.456 0 40 DDAB CC(=O)N1C(=O)[C@]2(NC(=O)c3ccccc3O2)c2ccccc21 14608290 KIUAAUFXGIOUQR-KRWDZBQOSA-N 308.293 1.555 0 40 DDAB O=[N+]([O-])O[C@@H](c1ccncc1)[C@H](O[N+](=O)[O-])c1ccncc1 17287594 LBDNUOVNUKBWJV-TXEJJXNPSA-N 306.234 1.676 0 40 DDAB O=C(C1CC1)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19405837 FZGJDNCRBBFOKZ-ZDUSSCGKSA-N 310.357 1.558 0 40 DDAB O=C1CO[C@H]2CCN(CC3=Cc4ccccc4OC3)C[C@@H]2N1 366772503 KOVRJKKCXCBGAE-HOCLYGCPSA-N 300.358 1.052 0 40 DDAB CCN1CCN(C(=O)N2CC[C@@H](c3cccs3)C2)C(=O)C1=O 823112187 OTVTYSKDWNANFG-LLVKDONJSA-N 321.402 1.348 0 40 DDAB Cc1cnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc1 1888900894 LNJHYYNWMDPJAB-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB COc1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 17114477 DSJKLFGTVUEVEF-UHFFFAOYSA-N 317.345 1.595 0 40 DDAB CCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1142715961 BKAKKALEFJJHCV-UHFFFAOYSA-N 302.374 1.821 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 8343799 WNFYGGLUXWLEBD-VIFPVBQESA-N 316.810 1.860 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 2037985200 AZGZFIXBGJDMJD-ZFWWWQNUSA-N 320.364 1.074 0 40 DDAB C[C@H](C(=O)c1ccccc1)C12C(=O)N=C(O)C1C(O)=NC2=O 96336667 RLGZWWZOZGSJBI-BMVJXKSLSA-N 300.270 1.101 0 40 DDAB CCNc1nc(NC(C)(C)C)nc(N(CC)n2cnnc2)n1 346366 IVICYBOWSBXURO-UHFFFAOYSA-N 305.390 1.395 0 40 DDAB O=C(NC1CCC1)[C@H]1C[C@]12CCN(C(=O)c1csnn1)C2 1565549839 GCHNZUYTTNKHJN-YGRLFVJLSA-N 306.391 1.059 0 40 DDAB Cc1cc(SCC(=O)Nc2ccc3c(c2)OCO3)nc(=O)[nH]1 4314635 IUQQGMACPOGLMZ-UHFFFAOYSA-N 319.342 1.538 0 40 DDAB CCn1cc(CN2CC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cn1 2055841063 YMZHUSYXYGRSNK-JKSUJKDBSA-N 301.394 1.706 0 40 DDAB Cn1ccc(CN2CCC(NC(=O)C(C)(C)C)CC2)cc1=O 1004021423 UOLBFJCFBCVOQO-UHFFFAOYSA-N 305.422 1.512 0 40 DDAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 50721366 DCSZQGJQVOISEO-LBPRGKRZSA-N 315.377 1.336 0 40 DDAB Cc1cc(Nc2ccc(N3CCOCC3)nc2)n2ncnc2n1 40490266 IDORHWDOLBHUSL-UHFFFAOYSA-N 311.349 1.408 0 40 DDAB COC(=O)Nc1ccc(OC(=O)C2=NN(C)C(=O)CC2)cc1 51882758 HATKANWHCPCTQI-UHFFFAOYSA-N 305.290 1.379 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)NC[C@@H]3CCOC3)cn2)C[C@@H](C)O1 41366036 SSBNXTVCSVDTJZ-MJBXVCDLSA-N 319.405 1.462 0 40 DDAB CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]2c3ccccc3OC[C@@H]21 568105 OAAGULBBCPUWBA-ONGXEEELSA-N 300.314 1.375 0 40 DDAB Cc1cccc(OCCN2C(=O)N[C@@]3(CCSC3)C2=O)c1 22700722 JJTZYXYJXHPGCZ-OAHLLOKOSA-N 306.387 1.801 0 40 DDAB Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 815503 GZTUNHHAWNJURI-AAEUAGOBSA-N 318.398 1.496 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1 42865968 VYXMIPRJMVFZNB-HNNXBMFYSA-N 315.377 1.588 0 40 DDAB O=C(CCNC(=O)c1ccccc1Cl)NC[C@@H]1CCCO1 3017993 YRZCDUOBBSHPBA-NSHDSACASA-N 310.781 1.755 0 40 DDAB O=C(N[C@H]1CCCCNC1=O)N[C@@H]1CCOc2ccccc21 43164795 ADBOGQHWJRZYEL-OLZOCXBDSA-N 303.362 1.478 0 40 DDAB C[C@@H]1CN(C)CC[C@H]1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 106171714 QHJQJBAZEDZHKW-DJSGYFEHSA-N 319.380 1.775 0 40 DDAB O=C(CCCn1cncn1)Nc1cccnc1N1CCCC1 79043749 CZDYBJWBXOLCBU-UHFFFAOYSA-N 300.366 1.692 0 40 DDAB COc1cc(C[C@H]2[C@@H](O)C3CCN2CC3)cc(OC)c1OC 1688565 CSOPYOZGEXBZJX-BBRMVZONSA-N 307.390 1.710 0 40 DDAB CNC(=O)c1cccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c1 79354815 ANJNWOFLMWEABR-NSHDSACASA-N 315.295 1.621 0 40 DDAB COc1ccc(CN2C[C@H](C(=O)N3CCCC3)CC2=O)cc1 34916652 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CNC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCCO2 65401435 PHMSPNXIURGFJV-ZDUSSCGKSA-N 318.373 1.127 0 40 DDAB CCN(CC)S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 65440834 RINLSIIWSXOEEZ-ZDUSSCGKSA-N 315.439 1.593 0 40 DDAB CN(C)c1nc(N)nc(CSc2nnc3n2CCCCC3)n1 14014632 MFZCVRUQHUPEQP-UHFFFAOYSA-N 320.426 1.130 0 40 DDAB COc1nc(C)ccc1CNC(=O)N[C@@H](C)Cn1ccnc1 66149556 JGKGGKOMOOPRTM-LBPRGKRZSA-N 303.366 1.483 0 40 DDAB Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@@H]2c1ccc(F)cc1 4742250 OLASVPYHZCKOTK-SNVBAGLBSA-N 313.292 1.041 0 40 DDAB C[C@H](COCC(F)(F)F)NC(=O)c1cccnc1N(C)C 67276970 HFAHYLUSYATUTC-SECBINFHSA-N 305.300 1.845 0 40 DDAB COc1ccc2nc(S[C@H](C)C(=O)N3CCNC3=O)[nH]c2c1 7096181 ZNQWSNYSWOLXSP-MRVPVSSYSA-N 320.374 1.604 0 40 DDAB CSCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 96481254 BGZHYDZCRPZREY-KBPBESRZSA-N 312.410 1.806 0 40 DDAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCNC(=O)C1 7420664 HDMMYHVGQKIMNB-VIFPVBQESA-N 315.295 1.464 0 40 DDAB CC(=O)Nc1nc(CN2CCCC[C@@H]2Cn2cncn2)cs1 71876127 WGHRTIXYFXIZEK-CYBMUJFWSA-N 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COC(=O)CN(C(=O)Cn1nc(C)cc1C)c1cccc(F)c1 95407224 LAZLFYVQJJZIBM-UHFFFAOYSA-N 319.336 1.845 0 40 DDAB O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCCC1 95993819 BTSPREYWVWSNNF-UHFFFAOYSA-N 310.297 1.807 0 40 DDAB CC1(CS(=O)(=O)N2CCCN(C(N)=O)CC2)CCCCC1 95942013 BCRYLKDPQIEJGB-UHFFFAOYSA-N 317.455 1.373 0 40 DDAB Cc1sc(=O)n(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C 89510585 SVCROQNECFOEDQ-HIFRSBDPSA-N 318.398 1.301 0 40 DDAB CCc1ccccc1N1C(=O)C[C@H](N2CCN(CC)CC2)C1=O 36633894 VZFJVFRLQAHEFJ-INIZCTEOSA-N 315.417 1.518 0 40 DDAB O=C(CN1CCN(C(=O)c2cnccn2)CC1)c1cccs1 38488383 ZPFVLEBUGGVDAA-UHFFFAOYSA-N 316.386 1.179 0 40 DDAB O=C(c1cc(Br)ccc1CO)N1CCOCC1 72209225 WXLQFKGDDLUDAJ-UHFFFAOYSA-N 300.152 1.414 0 40 DDAB CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@H]1c1cccc(F)c1 72241790 XLHXNROXIKZDCP-CABCVRRESA-N 306.337 1.346 0 40 DDAB Cc1cc(C(=O)N2CCN([C@@H](C)c3nccs3)CC2)on1 185778917 DROFZZLVYIGCAE-NSHDSACASA-N 306.391 1.959 0 40 DDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccccc1-n1cnnn1 71195585 WBLLDPUKOHHKNZ-CYBMUJFWSA-N 323.360 1.203 0 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JMAATCSLBHSOTO-CQSZACIVSA-N 309.337 1.611 0 40 DDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 257284813 PEKUFJWCILMTOL-AWEZNQCLSA-N 315.377 1.349 0 40 DDAB C[C@]1(O)CCN(C(=O)c2cc[nH]n2)C[C@@H]1Oc1cccc(F)c1 257233222 GOIFCCJHPXNFKJ-HOCLYGCPSA-N 319.336 1.593 0 40 DDAB Cc1cccc2nc(C(=O)N3CC[C@H](O)[C@]4(CCCO4)C3)cn12 257225210 FFHLNBYSPGTLHG-YOEHRIQHSA-N 315.373 1.399 0 40 DDAB CCc1noc(CCC(=O)N2CCCC[C@H]3CNCC[C@H]32)n1 257283085 OWSIGOATPPMBPL-QWHCGFSZSA-N 306.410 1.555 0 40 DDAB CCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccc(C)cc1 257308221 TVWYUKXHMLCXOU-WBVHZDCISA-N 318.417 1.793 0 40 DDAB Cc1c(CN2CC[C@H]3OCC(=O)N[C@H]3C2)[nH]c2ccc(F)cc12 257221650 DPZZYYOOFZMEIS-JKSUJKDBSA-N 317.364 1.705 0 40 DDAB COc1ccc([C@@H]2CNCCN2C(=O)c2cscn2)cc1 257221730 DQGYQYFOIRDMOL-AWEZNQCLSA-N 303.387 1.938 0 40 DDAB CC(=O)N1CCC(Cc2cncc(-c3cnc(C)n3C)n2)CC1 257219728 DHXFPZMTEULQTB-UHFFFAOYSA-N 313.405 1.987 0 40 DDAB NCc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCO2)c1 257279426 OGNQHGKBINWLGW-ZDUSSCGKSA-N 300.362 1.240 0 40 DDAB O=C(c1cccc(-n2cccc2)c1)N1CCC(O)(C(=O)O)CC1 262444068 GJSQYPGOOUZYCP-UHFFFAOYSA-N 314.341 1.529 0 40 DDAB Cc1ccc(NC(=O)C(C)(C)O)cc1N1CC[C@@H](N(C)C)C1 390835610 SJHYKCPJJGUCBJ-CQSZACIVSA-N 305.422 1.845 0 40 DDAB O=C(Cn1cccn1)N1CC[C@@H](Oc2ccncc2Cl)C1 575604893 DDUCPMBARGWNEU-LLVKDONJSA-N 306.753 1.611 0 40 DDAB O=C(c1cncc(O)c1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585279267 YPTJKUSSDQUOPA-WBVHZDCISA-N 312.369 1.853 0 40 DDAB C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)Cn1cc(Cl)cn1 585141555 VRRYNRZIGHMHIB-SNVBAGLBSA-N 318.764 1.906 0 40 DDAB CN(C)C(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 46503590 MXXCSQZNYDUWBB-UHFFFAOYSA-N 316.405 1.445 0 40 DDAB Cc1cc([C@@H]2CCCN2C(=O)NCCc2cnn(C)c2)on1 46993497 URNXIOKLUMHGGV-ZDUSSCGKSA-N 303.366 1.806 0 40 DDAB O=C(CCc1cscn1)N1CCN(C(=O)c2ccco2)CC1 74644695 NXBJREWJLOCVTE-UHFFFAOYSA-N 319.386 1.653 0 40 DDAB Cc1ccc([C@H]2CSCCN2C(=O)[C@@H]2CC(=O)N(C)C2)o1 76067363 ZIPBJQGROQCKPM-VXGBXAGGSA-N 308.403 1.683 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3=COCCC3)CCO2)n1 76046150 JGDGXTTXFOXJPP-GFCCVEGCSA-N 320.393 1.696 0 40 DDAB CN(C)C(=O)C[C@H](NC(=O)N1CCC[C@H](O)C1)c1ccccc1 83843998 SQGMYVDZMVGUQI-GJZGRUSLSA-N 319.405 1.372 0 40 DDAB Cc1cnc(CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)o1 89702344 ZAJVFAYRGPELKD-OAHLLOKOSA-N 320.437 1.502 0 40 DDAB O=C([C@@H]1CCCN(c2nnc(C3CC3)s2)C1)N1CCOCC1 301674794 GXWBKWVQZWPBSX-GFCCVEGCSA-N 322.434 1.491 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C(N)=O)cc1 18156379 QSXSFWAZEDUCAZ-UHFFFAOYSA-N 312.325 1.786 0 40 DDAB Cc1nccn1CCNC(=O)CCc1nc2ccccc2n1C 19717580 QJIJUTCWBOWBFT-UHFFFAOYSA-N 311.389 1.827 0 40 DDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cccc(F)c2)CC1 22590976 ZWSSGIPQFYMQHV-ZDUSSCGKSA-N 305.397 1.610 0 40 DDAB Cc1nnsc1C(=O)N1CC[C@@H](COc2ccccn2)C1 1888849398 ISDKZOXRDKPZHC-LLVKDONJSA-N 304.375 1.783 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2ncnc3ccsc23)CCO1 1889085917 QACYNSZFZCOCGY-NSHDSACASA-N 304.375 1.175 0 40 DDAB CC(C)(C)c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nn1 1889130332 SLCMWMGWSUGXSE-UHFFFAOYSA-N 324.450 1.388 0 40 DDAB CCc1cc2c(=O)n(CC(=O)N3CCO[C@@H](C)C3)cnc2s1 24834285 PCLWRILYUFCRDA-JTQLQIEISA-N 321.402 1.268 0 40 DDAB Cn1cnc(C(=O)N2CC3(C[C@H](NC4CCC4)CS3)C2)c1 2056225360 NMXIIIXGWGVPFU-LBPRGKRZSA-N 306.435 1.262 0 40 DDAB CN(C)CCN1CCCC12CCN(C(=O)c1cc[nH]n1)CC2 1565546779 AGHFXOWPRMBQHZ-UHFFFAOYSA-N 305.426 1.042 0 40 DDAB O=C(O)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 3623428 VKPNJGFKWYNJJG-UHFFFAOYSA-N 306.299 1.604 0 40 DDAB in-man Cc1nnc(SCc2cccc(C(F)(F)F)c2)n(N)c1=O 4338007 PYFIGOGRJCXKMY-UHFFFAOYSA-N 316.308 1.972 0 40 DDAB CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccc(OC)c2)C1 2055747145 LAEZEJBRZRIBBC-NUEKZKHPSA-N 304.390 1.421 0 40 DDAB O=C1c2ccccc2C(=O)N1CCc1nc(-c2cnccn2)no1 35587945 WWLGCNQXBPLIRH-UHFFFAOYSA-N 321.296 1.365 0 40 DDAB O=C(c1ccc[n+]([O-])c1)N1CC[C@H](Oc2ccncc2Cl)C1 575609990 DQMSHKWLHJLPNP-LBPRGKRZSA-N 319.748 1.662 0 40 DDAB O=C(N1CC(Nc2cccnn2)C1)C1(c2ccc(F)cc2)CC1 618254023 ABSMCEZNRAJLGH-UHFFFAOYSA-N 312.348 1.970 0 40 DDAB O=C1NCCC[C@@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 2298028270 XTSQDAFZVBTIAN-AWEZNQCLSA-N 308.809 1.902 0 40 DDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc32)C1 40090309 RTSHNWHYLKOVJD-LBPRGKRZSA-N 324.402 1.084 0 40 DDAB CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NCCS2)CC1 40464639 SDHQMRNCONCGOS-UHFFFAOYSA-N 313.423 1.853 0 40 DDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 100794957 HCLQOVFPYQXQCV-SECBINFHSA-N 301.298 1.608 0 40 DDAB biogenic Cc1c(C(=O)O)sc2ncn(Cc3ccncc3)c(=O)c12 31892671 LMSCUEFLVPMGDL-UHFFFAOYSA-N 301.327 1.908 0 40 DDAB Cc1cc(C)cc(C2(C(=O)NCCNS(C)(=O)=O)CC2)c1 51208511 PJGWPDXODDEHKA-UHFFFAOYSA-N 310.419 1.000 0 40 DDAB NC(=O)[C@H]1CN(C(=O)NCC2(c3ccccc3)CCC2)CCO1 51681167 BXLYJFBVNXAFJO-CQSZACIVSA-N 317.389 1.004 0 40 DDAB Cc1c(C(=O)NCCNc2cnccn2)oc2c1C(=O)CCC2 52578746 DEKOWRZTYOGNEM-UHFFFAOYSA-N 314.345 1.739 0 40 DDAB Cc1nn2c(=O)cc(CN(C)Cc3c(C)noc3C)nc2s1 52612759 MZWFIINZWHINJD-UHFFFAOYSA-N 319.390 1.696 0 40 DDAB O=C(Nc1ncccc1O)C1CCN(C(=O)c2ccco2)CC1 22264408 IMHWULPBVGHWBZ-UHFFFAOYSA-N 315.329 1.871 0 40 DDAB CCOCCCNC(=O)CCn1c(=O)n(C)c2ccccc21 22319495 IQIZCWMGEGBKEG-UHFFFAOYSA-N 305.378 1.273 0 40 DDAB COc1ccc([C@@H](CO)Nc2cc(-n3ccnc3)ncn2)cc1 77225064 JFWNLRNARBTCGK-CQSZACIVSA-N 311.345 1.816 0 40 DDAB Cn1cnnc1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 24692358 QVNNHVJJOWMVGR-OAHLLOKOSA-N 312.373 1.525 0 40 DDAB CN1CCN(CCCCNC(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 79023118 IKWKFQTULMUMOC-IRXDYDNUSA-N 322.497 1.846 0 40 DDAB COC(OC)[C@]1(CCc2ccc(Cl)cc2)NC(=O)NC1=O 2044115 DGWTUFRYSKHIIK-CQSZACIVSA-N 312.753 1.470 0 40 DDAB CC(C)c1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)cc1 4270304 ONUYRHJEGWESLW-UHFFFAOYSA-N 309.347 1.400 0 40 DDAB N[C@H](CSCC(=O)Nc1ccccc1C(F)(F)F)C(=O)O 4769888 ALJHPCSQEAETRH-MRVPVSSYSA-N 322.308 1.789 0 40 DDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]2C1 95438999 OWCNZUHGRYGYSX-WQVCFCJDSA-N 315.373 1.971 0 40 DDAB CN(C)CCCNc1c(NCCc2ccc(O)cc2)c(=O)c1=O 101677244 UPWRRGOMURWDGA-UHFFFAOYSA-N 317.389 1.006 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC1 8223250 DYAVPKNHOASMFJ-MRVPVSSYSA-N 302.783 1.285 0 40 DDAB CC[C@@](C)(NC(=O)c1cccnc1OCCOC)C(=O)OC 58265273 IVZWSVBCLIQRMG-OAHLLOKOSA-N 310.350 1.178 0 40 DDAB COc1ccc2oc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 44909292 QVQTWBZCQNTBDH-SNVBAGLBSA-N 323.370 1.667 0 40 DDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@H]1CCCO1 27879892 MJERMEHNTBUQEC-BXUZGUMPSA-N 300.362 1.873 0 40 DDAB O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1cn[nH]c1 58356473 CTENVGDHHVTNCA-UHFFFAOYSA-N 310.716 1.961 0 40 DDAB O=C(CNC(=O)NCC[C@@H]1CCCO1)NCCc1ccccc1 58562325 NFAZDYVWKIBXQC-HNNXBMFYSA-N 319.405 1.214 0 40 DDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCC2)c2ccccc21 36358392 BJYFTKWJWBOWIZ-HNNXBMFYSA-N 302.330 1.947 0 40 DDAB COc1ccccc1COC(=O)c1ccc(S(N)(=O)=O)cc1 11035260 SQMBQXPPGFQEGH-UHFFFAOYSA-N 321.354 1.700 0 40 DDAB O=C(COc1ccc2c(c1)CCC2)NCCCN1CCOCC1 21896153 ZLNUIRCFBFEQRN-UHFFFAOYSA-N 318.417 1.393 0 40 DDAB Cc1cc(N2CCN(Cc3ccccc3F)CC2)nc(N)n1 45724238 AHKARDBLFIAKOH-UHFFFAOYSA-N 301.369 1.829 0 40 DDAB Cc1ccnc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)c1 27976089 IKBWCUDWRHUIAS-LBPRGKRZSA-N 324.344 1.772 0 40 DDAB CSc1ncc(C(=O)N(CCO)C[C@@H]2C[C@H]3C=C[C@H]2C3)cn1 100760724 CEXFAFMQRZDRSG-AVGNSLFASA-N 319.430 1.845 0 40 DDAB O=C(Nc1ccccn1)c1ccc(Cl)cc1-n1cnnn1 12324598 HRDYYTYJNFDXLZ-UHFFFAOYSA-N 300.709 1.963 0 40 DDAB O=C(NCCC(=O)N1CCCC[C@H]1C(=O)O)c1ccsc1 37437939 JBJOMPIKCYNXKE-NSHDSACASA-N 310.375 1.334 0 40 DDAB O=C(COCc1nc2ccccc2s1)NCCn1ccnc1 48289904 SZEGRXIVQFIKLK-UHFFFAOYSA-N 316.386 1.826 0 40 DDAB CCOCCNC(=O)c1cnn(-c2ccc(OCC)nn2)c1C 48274616 JBKUEAGNPCPXKC-UHFFFAOYSA-N 319.365 1.136 0 40 DDAB CC1(C)COC(=O)[C@@H]1OC(=O)/C=C/c1ccc2c(c1)OCO2 68035742 GLIXAEZZAJLPNP-YVZNUBBCSA-N 304.298 1.923 0 40 DDAB CCN(CC)CCCNS(=O)(=O)c1ccccc1OC 3376502 RLVQGGQZJLRUCB-UHFFFAOYSA-N 300.424 1.705 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)C[C@H]1C=CCC1 12896053 FRANPPSNEFOMOV-ZDUSSCGKSA-N 322.430 1.708 0 40 DDAB COc1cccc(CNC(=O)CCNC(=O)c2ccco2)c1 12906604 DUOJDFUFSWFFPS-UHFFFAOYSA-N 302.330 1.725 0 40 DDAB O=C(O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 13032480 HIAWZTZPORUBTF-UHFFFAOYSA-N 312.391 1.149 0 40 DDAB in-vitro Cc1noc(C)c1CN(C)C(=O)CCNC(=O)c1ccco1 24580982 NFXPQFJGWGOGSA-UHFFFAOYSA-N 305.334 1.663 0 40 DDAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 4450644 OPOTXDVQOJKFBN-UHFFFAOYSA-N 314.297 1.793 0 40 DDAB CN1CC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1=O 65502831 AVDONIJRNUPFBT-INIZCTEOSA-N 321.465 1.579 0 40 DDAB CCn1cnnc1CNC(=O)C[C@@H](NC(C)=O)c1ccccc1 65588952 DXQXKTUBDRPZDJ-CQSZACIVSA-N 315.377 1.182 0 40 DDAB CCc1ccc(-c2noc(CN(CC(N)=O)C(C)C)n2)cc1 14187136 FCFPLEWDCDDGGR-UHFFFAOYSA-N 302.378 1.995 0 40 DDAB O=C(Nc1ccccc1-n1cnnn1)c1ccc2c(c1)OCO2 6592483 XKEGNZSWTUHNMD-UHFFFAOYSA-N 309.285 1.643 0 40 DDAB CN(C)c1cccc(C(=O)Nn2cnc3ccccc3c2=O)c1 14604794 INRVDLUPEIJAIQ-UHFFFAOYSA-N 308.341 1.846 0 40 DDAB COC(=O)C[C@@H]1CN(Cc2cn(C)nc2C(C)(C)C)CCO1 96492863 ZSLCEFBUDUPDRK-CYBMUJFWSA-N 309.410 1.482 0 40 DDAB CC(C)(C)OC(=O)NCC(=O)NCCOc1ccc(F)cc1 67161448 UUKCPLXEPURLBA-UHFFFAOYSA-N 312.341 1.845 0 40 DDAB CCOc1ccccc1CNC(=O)N1CCS(=O)(=O)CC1 71803930 BZSRTBJEVBLLKB-UHFFFAOYSA-N 312.391 1.025 0 40 DDAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CCC(N)=O)C1=O 71855258 IOQNRDVFSSFGKW-MRXNPFEDSA-N 321.352 1.638 0 40 DDAB CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1Cn1cccn1 71865354 WPFXVHZQZOXGIO-KGLIPLIRSA-N 322.434 1.186 0 40 DDAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCCn2ncnc21 71826678 NZXQEUYCKMMKMX-NSHDSACASA-N 318.764 1.920 0 40 DDAB CN(C(=O)CN1CCCC[C@H]1Cn1cncn1)c1nccs1 71876393 HQSHPRWJYWEJAL-LBPRGKRZSA-N 320.422 1.252 0 40 DDAB C/C=C/c1ccc(OCC(=O)N2CCNC(=O)CC2)c(OC)c1 71839614 XIYIJQIGENDRBS-ONEGZZNKSA-N 318.373 1.456 0 40 DDAB CCCNC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 80927053 JMMHVMAORFCIPN-CQSZACIVSA-N 318.421 1.567 0 40 DDAB Cn1nnnc1S[C@@H]1CCCN(c2cccc(F)c2)C1=O 71908662 LGDGMGBKGZORJJ-LLVKDONJSA-N 307.354 1.637 0 40 DDAB CNC(=O)c1ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 71904637 FUVQHNIKPITKBF-NEPJUHHUSA-N 312.435 1.300 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)c2cnc(C3CC3)s2)CC1 70015837 VFBJTEXIFCNSTA-GFCCVEGCSA-N 309.435 1.549 0 40 DDAB COCCOc1ncccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 69322302 NARIZGMUNACPEW-CABCVRRESA-N 320.389 1.890 0 40 DDAB COc1ccc(C)cc1C(=O)N1CCN(CC(C)(C)O)CC1 69872687 AJEGYAIMLCMAQS-UHFFFAOYSA-N 306.406 1.532 0 40 DDAB O=C(Cn1cnnn1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97055873 ZCNRKOQMYHWXIG-JTQLQIEISA-N 321.209 1.371 0 40 DDAB Cc1c(C(=O)N2CCC(C(=O)O)CC2)[nH]c2c1C(=O)CCC2 8734408 XIZANDZSZAPQEE-UHFFFAOYSA-N 304.346 1.779 0 40 DDAB COc1ccc(-c2noc(Cn3nnc4ccccc43)n2)cn1 78774739 FQGQHNDDEZNZFM-UHFFFAOYSA-N 308.301 1.933 0 40 DDAB C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72287442 CXCGXGSEYAFRCS-CHWSQXEVSA-N 300.362 1.978 0 40 DDAB Cn1c(CCNC(=O)c2cccc3cnccc23)n[nH]c1=S 73078459 VTDQAZASPHBVCU-UHFFFAOYSA-N 313.386 1.998 0 40 DDAB COc1cc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)cc2c1OCO2 84714773 DSIWGLHMMJVPSD-FZMZJTMJSA-N 320.389 1.770 0 40 DDAB C[C@@H](CNc1nc(N)c2ccccc2n1)N1CCOC[C@H]1C 95449386 HBJDHBVKHPDADO-NWDGAFQWSA-N 301.394 1.733 0 40 DDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N[C@@H](CO)c2cnn(C)c2)o1 95444634 FQAMJOWEOUCPHK-FQAZRGLUSA-N 315.373 2.000 0 40 DDAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 75139497 AILXTTJHSNVSTA-UHFFFAOYSA-N 312.391 1.828 0 40 DDAB CC(C)n1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cn1 75105816 GTDNAFDOTHVXLG-DGCLKSJQSA-N 308.382 1.070 0 40 DDAB Cn1nccc1C(=O)N[C@H](Cc1ccccc1)Cc1c[nH]cn1 89741105 JDBRHSIENLISOT-CQSZACIVSA-N 309.373 1.727 0 40 DDAB CC[C@H](CCO)NS(=O)(=O)c1ccc(Br)cn1 89943293 DZEDPJIWHCFRGI-SECBINFHSA-N 323.212 1.283 0 40 DDAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2nccn2C(F)F)C1=O 89917165 GCSJZCMCMPEBFD-AWEZNQCLSA-N 321.287 1.640 0 40 DDAB Cc1ccc(CCCCC(=O)N2CCN(CCO)CC2)cc1 75604879 WYFNZEUVBSKVBO-UHFFFAOYSA-N 304.434 1.844 0 40 DDAB COc1ncccc1CN1CCC[C@@H](C(=O)NCC2CC2)C1 176457068 JNZOVEGOSWDDFJ-CQSZACIVSA-N 303.406 1.828 0 40 DDAB CC(C)(C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1 24522429 LAATUBUFEJHZHB-UHFFFAOYSA-N 313.375 1.123 0 40 DDAB CCc1ccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)cc1 22584874 SXCNHQCZHDVGLZ-OAHLLOKOSA-N 319.405 1.278 0 40 DDAB COc1cccc(NC(=O)[C@H]2CN(C)CC3(CCNCC3)O2)c1 306143282 XXRCTXYQTHZZQG-OAHLLOKOSA-N 319.405 1.087 0 40 DDAB CN1CCN(CC2CN(c3ccc(C(F)(F)F)cn3)C2)CC1 521398455 HMWCJWJIOVGJGY-UHFFFAOYSA-N 314.355 1.784 0 40 DDAB COCCCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524731012 GSMADEPWAKOLHT-RVSPLBMKSA-N 318.373 1.249 0 40 DDAB biogenic O=C(NCc1ccc2cncn2c1)c1cc(O)nc(C2CC2)n1 569376989 LWMYWWCTACDXIL-UHFFFAOYSA-N 309.329 1.637 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(N)C(=O)O 218573461 QFGKNOHDHKYYJJ-UMNHJUIQSA-N 303.767 1.023 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NCCNC(=O)Nc1ccccc1 72400534 UORPATOUVFRQBT-NWDGAFQWSA-N 319.361 1.281 0 40 DDAB COc1ccccc1/C(C)=C/C(=O)NCCc1nncn1C 79001186 DADVKIAIFJSJGN-ZRDIBKRKSA-N 300.362 1.586 0 40 DDAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)Cc1ccc2c(c1)OCO2 565046055 IMTKHUAVTGWDOT-IJLUTSLNSA-N 303.314 1.422 0 40 DDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1ncc(Cl)cc1Cl 185534127 DZXDGBPNBNWYJQ-LDYMZIIASA-N 305.161 1.497 0 40 DDAB O=C(O)c1cnc(CCc2ccccc2)nc1N1CCOCC1 49469422 XWBFLMFEWDDZFF-UHFFFAOYSA-N 313.357 1.797 0 40 DDAB CO[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 571337330 PJIPEMHBMIYIIF-SWLSCSKDSA-N 320.389 1.500 0 40 DDAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 223597226 KHBYGDSHNRBOLZ-KGLIPLIRSA-N 302.403 1.385 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)NCc1cccc(-n2ccnc2)c1 96406710 SYZAOFZLQBGENS-UHFFFAOYSA-N 317.374 1.382 0 40 DDAB COC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2ccnn2C1 96188910 FCWMLMWYXUHNIU-AWEZNQCLSA-N 317.364 1.870 0 40 DDAB COc1ccc(-c2cn(C[C@H](O)CN3CCCC3)nn2)c(F)c1 91665607 HGYHPAZAIYGRAJ-GFCCVEGCSA-N 320.368 1.550 0 40 DDAB CC(C)C(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238201 FRBMHYVJCBYCIF-INIZCTEOSA-N 321.446 1.654 0 40 DDAB CC(C)n1cc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)cn1 96192152 DUOJXSHPEBLVPI-LBPRGKRZSA-N 313.361 1.851 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3cccnc3)C2)C1 96225517 QZRUPEMFMPCSHM-KRWDZBQOSA-N 316.405 1.669 0 40 DDAB CCNc1ncc(C(=O)N2CCN(c3cnn(C)c3)CC2)s1 96482991 RSYPQPVEZKTZCA-UHFFFAOYSA-N 320.422 1.271 0 40 DDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 96058177 PKFOCBBMSJACRV-NWANDNLSSA-N 324.446 1.490 0 40 DDAB CCn1nnc2c1CCN(CCN1CCCCC1)[C@H]2COC 96045332 YNCNNVDEUOIEAL-HNNXBMFYSA-N 307.442 1.330 0 40 DDAB CO[C@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1ccccc1 96110506 VHQDSEPXWLSSTL-GJZGRUSLSA-N 312.435 1.372 0 40 DDAB Cc1nsc(N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)n1 96429429 LTSNYNNZVGUBAC-VIFPVBQESA-N 320.422 1.990 0 40 DDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1F 96420317 BBZVEUHIIBZNRM-FZMZJTMJSA-N 308.353 1.740 0 40 DDAB Cc1cccc(CCNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)c1 96427858 YFUMHWJCVXQGKL-KBPBESRZSA-N 312.435 1.481 0 40 DDAB O=S(=O)(C1CC1)N1CCn2cc(CN3CCCCC3)nc2C1 96059416 YFQYJYQJDNFAAA-UHFFFAOYSA-N 324.450 1.177 0 40 DDAB CCN(C)c1ncc2c(c1C(=O)O)CCN([C@@H]1CCOC1)C2 96189231 KDVRQBQNKXMFDO-GFCCVEGCSA-N 305.378 1.383 0 40 DDAB COC(=O)c1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 241173082 KFWUMCZUHWYHHA-WMLDXEAASA-N 318.417 1.626 0 40 DDAB CC[C@@H](C)NC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 244236096 WENBOUJIZNLZOS-CYBMUJFWSA-N 312.435 1.805 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@@H](CCN3S(=O)(=O)C3CC3)C2)o1 248117149 SUPTUHUBNGYOFG-BBRMVZONSA-N 324.446 1.976 0 40 DDAB Cc1cnc(C(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cn1 257318276 VNFIECYSBCDZNM-OAHLLOKOSA-N 313.361 1.406 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccnc2)cc1C(N)=O 26760209 VGDATBWLHPESAD-NSHDSACASA-N 319.386 1.528 0 40 DDAB CC(C)(C)c1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)[nH]n1 257199774 AATTXFTTXRENEQ-ZDUSSCGKSA-N 315.377 1.711 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCO[C@@H](c2cnccn2)C1 257232473 GKZPCLPYJTZSAN-OAHLLOKOSA-N 301.321 1.758 0 40 DDAB O[C@@H]1[C@H](Oc2ccccc2)CC[C@@H](NCc2nccs2)[C@H]1O 257313582 UTGQCCGBBGQGRU-RRCSTGOVSA-N 320.414 1.565 0 40 DDAB CC(C)(COCc1ccccc1)NC(=O)CN1CSCC1=O 252494836 OGFWTCAVGRLHDP-UHFFFAOYSA-N 322.430 1.631 0 40 DDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3scnc3C)CCO2)n1 257243524 IHKFLNDLIQPHKK-LLVKDONJSA-N 320.374 1.469 0 40 DDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(O)(C(=O)O)CC1 262425771 DEHBQCBIRYHHGN-JTQLQIEISA-N 311.309 1.031 0 40 DDAB CCc1ncnc(NCc2ccc(S(N)(=O)=O)cc2C)c1F 277624813 CLZFBXSHZLJKJP-UHFFFAOYSA-N 324.381 1.746 0 40 DDAB COC(=O)c1sccc1NC(=O)c1cnn2c1OCCC2 90583978 JYHDQFCAWIGVPI-UHFFFAOYSA-N 307.331 1.766 0 40 DDAB O=C(COc1ccc(-n2cccn2)nn1)NCCc1ccccc1 90607733 PWYOOYSNNXKNTH-UHFFFAOYSA-N 323.356 1.400 0 40 DDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)c3ccsc3)C[C@H]12 585109075 SKISGJDDXWTXHL-NWDGAFQWSA-N 319.386 1.244 0 40 DDAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)/C=C/CN2CCOCC2)O1 585290998 KCYHIOUYCJGBCM-PGXISHIXSA-N 308.422 1.433 0 40 DDAB CC(C)OCCCNC(=O)c1nn(CC(F)(F)F)cc1N 685936256 MXPWDGWTRLTQPX-UHFFFAOYSA-N 308.304 1.573 0 40 DDAB Cc1cc(C(=O)NCC2CCN(c3cnccn3)CC2)no1 70930233 JZEAWGYYACUJRN-UHFFFAOYSA-N 301.350 1.419 0 40 DDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccccc1Cl 48009303 XXYNKSBTBIZVLZ-CQSZACIVSA-N 323.824 1.557 0 40 DDAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)CN1CCOCC1 46480531 XGWHDXWHKCTBDH-LLVKDONJSA-N 310.398 1.154 0 40 DDAB Cc1noc(C)c1C(=O)N1CCN(Cc2cscn2)CC1 55438579 XVALJBWGMPMVRU-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@H](O)Cn1cccn1 75605728 YJFLVBKPJCYARX-QWHCGFSZSA-N 323.828 1.776 0 40 DDAB C[C@H](CCc1ccccc1)CC(=O)N1CCN(CCO)CC1 78783473 FVWJVTZQHNTHEO-MRXNPFEDSA-N 304.434 1.782 0 40 DDAB CCN(CC)S(=O)(=O)N(C)C[C@@H]1COc2ccccc2O1 40488001 GSCRXVQYLYEFTB-GFCCVEGCSA-N 314.407 1.345 0 40 DDAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1nnc3n1CCC3)C2 40486271 LCAPWYJDMUVWHT-CYBMUJFWSA-N 314.414 1.866 0 40 DDAB Nc1c(NCCc2ccc3c(c2)CCO3)ncnc1-n1cccn1 89885047 MKLYKEXOGIVMHE-UHFFFAOYSA-N 322.372 1.834 0 40 DDAB CC[C@@H](C)[C@@H](O)CNS(=O)(=O)Cc1ccc(F)cc1F 96001975 SAKQTCADXOCMKK-RNCFNFMXSA-N 307.362 1.791 0 40 DDAB CSCC[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)O 5640996 GWKRTTBCKBCWJF-NSHDSACASA-N 305.359 1.566 0 40 DDAB CNc1cc(CNC(=O)c2ccncc2)nc(-c2cccnc2)n1 19592255 OLZACDJSOXLLLL-UHFFFAOYSA-N 320.356 1.905 0 40 DDAB CNC(=O)[C@]1(C)CN(Cc2cn(C)c3ccc(F)cc23)CCO1 19746909 LUONWMACMSKCNK-KRWDZBQOSA-N 319.380 1.654 0 40 DDAB CSCC[C@@H](N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 158228847 DNNBRJRBDZCVKL-LSDHHAIUSA-N 308.447 1.537 0 40 DDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2cccs2)N1 12346797 ZCJPXBXNOSOBMI-TVQRCGJNSA-N 319.386 1.377 0 40 DDAB CCN(CC)C(=O)CN(C)CC(=O)N[C@@H](C)c1cccs1 16396903 JBDUGENKECAKPH-LBPRGKRZSA-N 311.451 1.726 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)cn1 2037984875 QHRDBDVBWOHQDF-QGZVFWFLSA-N 317.389 1.244 0 40 DDAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1cn(C)c(C)n1 50253068 HPYWBWUKSPHFCR-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB CC(C)CN1C[C@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@@H](C1)O2 1565546390 ZVGIABKPVKWONV-IYBDPMFKSA-N 321.396 1.331 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1ccco1 10331086 JKINMJPBIPFPCP-LBPRGKRZSA-N 302.334 1.032 0 40 DDAB Cc1cc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)ccc1F 13849684 VNPZGUMYJWGHOZ-UHFFFAOYSA-N 322.361 1.963 0 40 DDAB CNC(=O)[C@H]1C[C@@H]2CCN(Cc3cccc(OC)c3)C[C@@H]2O1 2055719479 OGPFPHYJMXADLF-IMJJTQAJSA-N 304.390 1.421 0 40 DDAB CC(=O)N1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 2055730042 URGMGNTYRZEMOO-YLQAJVPDSA-N 317.389 1.826 0 40 DDAB [O-][n+]1cc(Cl)cc(Cl)c1NCCCN1CCOCC1 20494391 JBSXZVCZMABEPE-UHFFFAOYSA-N 306.193 1.761 0 40 DDAB O=C(NCC1CCN(c2ccccn2)CC1)NC[C@@H]1CCCO1 225553705 QMUKYPCRFYSHOM-HNNXBMFYSA-N 318.421 1.776 0 40 DDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccsc2)CC1 43979439 MFUFLIOKKXLNSB-UHFFFAOYSA-N 302.421 1.150 0 40 DDAB CC(C)CC(=O)N1CC[C@@H](c2nn(CCN)c3nccnc23)C1 19446232 RPYMHKAPIIBEFF-GFCCVEGCSA-N 316.409 1.147 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(C)C[C@H]2C[C@@H]1Oc1cnccn1 2332242538 NHUHGRIFBNRYMT-FZKCQIBNSA-N 313.405 1.942 0 40 DDAB Cc1cc(C)n(C(=O)CNC(=O)c2ccc3c(c2)OCCO3)n1 503581 MXEIRLGPAFACEI-UHFFFAOYSA-N 315.329 1.341 0 40 DDAB NC(=O)[C@@H]1CCCN1[C@H](C(=O)O)c1c[nH]c2ccc(Cl)cc12 20745402 JTLBHLHMNBXTSI-STQMWFEESA-N 321.764 1.897 0 40 DDAB O=C(NC[C@@H]1CCCO1)C1CCN(c2ccc(Cl)nn2)CC1 32779810 VVOUFBBLYPJVSO-LBPRGKRZSA-N 324.812 1.642 0 40 DDAB CCc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 21558953 RKGBQXMNFJXJSF-LBPRGKRZSA-N 306.362 1.319 0 40 DDAB CC(C)NC(=O)NC(=O)CN(C)CCCOc1ccccc1 32913827 HJRUAONALOQJNW-UHFFFAOYSA-N 307.394 1.622 0 40 DDAB CN(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1 479229 DMOIYHWOMTVZKS-UHFFFAOYSA-N 310.419 1.317 0 40 DDAB Cn1cc(C(=O)NC2CCN(CCc3ccccn3)CC2)cn1 52903542 BEDUMKMXIQTERZ-UHFFFAOYSA-N 313.405 1.252 0 40 DDAB CCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 22613155 ADBXDIHWASEGGE-KRWDZBQOSA-N 316.357 1.937 0 40 DDAB O=C(Nc1cccnc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42377408 FFUBKVFWQBHZEI-CYBMUJFWSA-N 302.378 1.948 0 40 DDAB COC(=O)c1ccccc1Oc1nc(N(C)C)nc(N(C)C)n1 910039 RCHWBRMKTAXLPM-UHFFFAOYSA-N 317.349 1.583 0 40 DDAB COc1cccc([C@@H](O)CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1 78892399 FCHLNLJUWOAPJO-GJZGRUSLSA-N 318.377 1.229 0 40 DDAB CC(=O)N[C@H]1[C@@H](O)O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@@H]1O 4531084 DGWGXCQMDPSJJC-JHMPBIJASA-N 305.374 1.153 0 40 DDAB O=C(NCCn1ccnc1)c1ccc(OC[C@H]2CCCO2)cc1 43945959 RBNDVQUEKYUBLS-MRXNPFEDSA-N 315.373 1.871 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1OC 8476083 VUPDEGCJULAGSS-UHFFFAOYSA-N 314.407 1.379 0 40 DDAB CCOC(=O)N[C@@H]1[C@@H]2CC(=O)[C@H](O2)[C@@H]1OCc1ccccc1 102983603 IQQHHPWRSOVMNA-LJISPDSOSA-N 305.330 1.427 0 40 DDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCO1 44891004 IFIMVNXPMOKSHK-CYBMUJFWSA-N 306.362 1.778 0 40 DDAB Cn1cccc1[C@H]1CCCCCN1C(=O)CCCNC(N)=O 44897084 BEGUXMKORQDUOZ-CQSZACIVSA-N 306.410 1.917 0 40 DDAB Cc1cc(NC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 9608679 KSZXEHHQIYPBKM-UHFFFAOYSA-N 313.317 1.883 0 40 DDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccco1 2145694 CYTBTUJWWLDURD-CQSZACIVSA-N 302.330 1.863 0 40 DDAB biogenic O=C(CNC(=O)OCc1ccccc1)NCC[C@H]1CCCO1 58354866 WWLUNUSNUYPNSC-CQSZACIVSA-N 306.362 1.598 0 40 DDAB Cn1cc(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 58431051 ANRDQNVOAFPMDQ-NXEZZACHSA-N 303.284 1.840 0 40 DDAB CS(=O)(=O)NC1CCN(Cc2ccc(F)cc2Cl)CC1 58418672 JLIPQKIHOJCFLK-UHFFFAOYSA-N 320.817 1.993 0 40 DDAB CN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12596031 NUIGZNGVUCUXDY-UHFFFAOYSA-N 321.402 1.870 0 40 DDAB C[C@H](NC(=O)c1ccco1)C(=O)OCc1ccc(C(N)=O)cc1 11352774 CONDDHVQFBLJLI-JTQLQIEISA-N 316.313 1.240 0 40 DDAB COc1cc(C)c(S(=O)(=O)NCCCn2cncn2)c(C)c1 45742774 QWOPCWZKZAUQJJ-UHFFFAOYSA-N 324.406 1.272 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 29189958 BXGRGWTTWWBWTC-GUOLPTJISA-N 312.391 1.141 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 26439469 GUMLQMBJLFRNDQ-OAHLLOKOSA-N 309.454 1.184 0 40 DDAB COc1ccc(NC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cn1 48019368 KNNNZMGMKOZLFC-RYUDHWBXSA-N 308.382 1.321 0 40 DDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](O)c1ccc(F)cc1 48230403 QAWQVNOXXIEHAV-BXUZGUMPSA-N 306.341 1.444 0 40 DDAB CC(C)(CNC(=O)N1CCc2ccccc2C1)N1CCOCC1 48285743 HUCPVPNOYCURBD-UHFFFAOYSA-N 317.433 1.865 0 40 DDAB CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C)cc1 48356627 CNEDFRFJPGVBBV-ZYHUDNBSSA-N 311.407 1.050 0 40 DDAB Cc1ncc2c(c1O)[C@H](c1c(O)n(C)c(=S)n(C)c1=O)OC2 3999911 CNVMFUBBVIQIQW-LLVKDONJSA-N 321.358 1.188 0 40 DDAB biogenic Cc1cc(C)nc(NNS(=O)(=O)c2ccc(C(=O)O)cc2)n1 9315989 VRGFPCYRCRQTQQ-UHFFFAOYSA-N 322.346 1.097 0 40 DDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nncn1C 6063581 ARUBVCTWDALIQI-ZDUSSCGKSA-N 318.402 1.224 0 40 DDAB COc1ccc([C@H](CNC(=O)[C@@H](C)n2cncn2)N(C)C)cc1 65415389 HONXRQPGBBYOFW-DOMZBBRYSA-N 317.393 1.267 0 40 DDAB CCc1c(C(=O)N(C)CC(N)=O)cnn1-c1ccc(F)cc1 65523005 GQQMHIBEINOQDA-UHFFFAOYSA-N 304.325 1.131 0 40 DDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H](n2cccn2)C1 65609591 FHVMKAYKVUPCRL-CYBMUJFWSA-N 315.402 1.999 0 40 DDAB COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)CNC2=O 6453897 SGZWNPAIMZNPEF-QMMMGPOBSA-N 318.251 1.167 0 40 DDAB CC(C)CNC(=O)COC(=O)c1cc2ccccc2oc1=O 5505996 CMXYHPMSNLSMPO-UHFFFAOYSA-N 303.314 1.722 0 40 DDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc1OC 4942690 VJWKNAQDLGZJSW-JTQLQIEISA-N 302.290 1.279 0 40 DDAB NC(=O)[C@H]1CCCN1CCOc1ccc(OC(F)(F)F)cc1 80626770 AZBLKEIAZQEAIU-GFCCVEGCSA-N 318.295 1.914 0 40 DDAB Cc1nnc(S[C@@H]2CCN(c3ccccc3Cl)C2=O)n1N 71893891 ABZSZRAULDZKQR-LLVKDONJSA-N 323.809 1.851 0 40 DDAB O=S1(=O)C[C@H]2SC(=S)N(c3ccccc3F)[C@H]2C1 7995092 SKGDHWJSZWBBON-VHSXEESVSA-N 303.405 1.829 0 40 DDAB COc1ccnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 71859458 OBQJQWQTUFIXKR-GFCCVEGCSA-N 300.366 1.380 0 40 DDAB CCCNC(=O)CSc1nnnn1-c1cc(C)ccc1C 8391147 IYSDAQVVAPFTNO-UHFFFAOYSA-N 305.407 1.897 0 40 DDAB Cc1ccccc1CC(=O)N1CCN([C@H]2C[C@@H](C)OC2=O)CC1 71851714 KBWKQWGSZKYTHX-ZBFHGGJFSA-N 316.401 1.386 0 40 DDAB CCS(=O)(=O)c1nnc(NC(=O)/C=C/c2ccco2)s1 17027835 TWBGOVIPOLAUBT-AATRIKPKSA-N 313.360 1.577 0 40 DDAB Cc1cnn(C[C@H](C)NCC(=O)Nc2ccc(Cl)cn2)c1 71874838 RQLKEIWBIAXSJP-NSHDSACASA-N 307.785 1.857 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 70173677 LOSWGXGHALYNPP-NEPJUHHUSA-N 300.399 1.882 0 40 DDAB Cc1ccc(S(=O)(=O)CCCN(C)CCn2cnnc2)cc1 91591420 NPTKDVUGHTXXNV-UHFFFAOYSA-N 322.434 1.382 0 40 DDAB CCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 19938179 QSPCBPJFDRBQOH-UHFFFAOYSA-N 307.419 1.742 0 40 DDAB COC(=O)C[C@H]1CCCCN1C(=O)CCc1c(C)nn(C)c1C 71964128 RPBWGDOMSXJAMO-CQSZACIVSA-N 321.421 1.914 0 40 DDAB CNC(=O)[C@H]1CCCN1CC(=O)Nc1cc(C)ccc1OC 69571533 STNCCBGPFSOTIJ-CYBMUJFWSA-N 305.378 1.153 0 40 DDAB NS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2Cl)C1 69520311 AAQFRDFHYRPNCA-LLVKDONJSA-N 317.842 1.345 0 40 DDAB Cn1cc([C@@H]2CCCN2Cc2nc3ccccc3c(=O)[nH]2)cn1 69628265 XQXSBJUAOXMROI-HNNXBMFYSA-N 309.373 1.994 0 40 DDAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 69922236 BCCZPPXOGXVNDO-UHFFFAOYSA-N 320.437 1.395 0 40 DDAB COc1cc2c(nn1)CCN([C@@H](C)C(=O)NCc1ccco1)C2 84001320 RYQGKOQZIPAHHL-NSHDSACASA-N 316.361 1.141 0 40 DDAB Cn1cc(CNc2ccccc2N2CCC(C(N)=O)CC2)cn1 97048879 NAVNOJBCKAGJBB-UHFFFAOYSA-N 313.405 1.734 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1C 72294330 YQBIAHBHNZNTSU-ZFWWWQNUSA-N 304.390 1.909 0 40 DDAB C[S@](=O)c1cccc(NC(=O)NC[C@@H](O)c2ccco2)c1 72287654 CTCOBXHCUBWPLI-XUSGNXJCSA-N 308.359 1.872 0 40 DDAB CCN(C(=O)/C=C(\C)c1ccc(F)cc1F)[C@H]1CC(=O)NC1=O 98052914 YKNJXQYUGMZWNM-PPGNKHEKSA-N 322.311 1.632 0 40 DDAB OCCc1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1 67897728 CSUWEDMADUEKAH-UHFFFAOYSA-N 306.406 1.643 0 40 DDAB biogenic,in-vitro CN(C[C@@H](O)C(F)(F)F)C(=O)NCC(C)(C)c1ccncc1 97114754 JUXOPEDMVXTXNI-LLVKDONJSA-N 319.327 1.924 0 40 DDAB Cn1cc(Cl)cc1C(=O)NCCC(=O)NCc1ccccn1 97164016 JQVAYXUIRNTPEL-UHFFFAOYSA-N 320.780 1.510 0 40 DDAB C[C@H](CC(=O)NC[C@H]1CCC[C@@H]1O)NC(=O)c1ccccc1 72301351 LUCPVVVEURXWEN-YUELXQCFSA-N 304.390 1.472 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)c(=O)[nH]1 75119259 UNPQABOWOPWPCY-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB Cc1ccc2[nH]nc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)c2c1 89657530 BTXNNZOAYXEJGM-UHFFFAOYSA-N 321.402 1.521 0 40 DDAB CCCC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)c1ccsc1 89949367 BOKSGJKVBCYCCI-QWHCGFSZSA-N 310.419 1.689 0 40 DDAB C[C@@H]1C[C@H]1NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 76001215 DPAKKZMNIYQICI-ZWNOBZJWSA-N 314.382 1.409 0 40 DDAB Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1 64034359 YXQUEZGLCGLNPE-UHFFFAOYSA-N 313.360 1.153 0 40 DDAB COCCN1Cc2cc3cc(OC)ccc3nc2O[C@@H](C)C1=O 72346416 CECPWAIJRJMCQD-NSHDSACASA-N 316.357 1.999 0 40 DDAB CC(C)(C)n1cnc(=NC(=O)Nc2cccc(CC(=O)O)c2)[nH]1 519752928 KUPKYUXUZAKAQJ-UHFFFAOYSA-N 317.349 1.726 0 40 DDAB CCOC[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218530991 OZRFEMVEMOUZPJ-HZSPNIEDSA-N 317.838 1.975 0 40 DDAB Cc1ccc(NC(=O)c2cc[nH]n2)cc1-c1nnnn1C1CC1 184607999 ULIPOHPOHZKRIL-UHFFFAOYSA-N 309.333 1.959 0 40 DDAB CN1CC(=O)N(CC(=O)N2CCC(c3ccccc3)CC2)C1=O 43505851 XVQDOVMVNJAFJZ-UHFFFAOYSA-N 315.373 1.287 0 40 DDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccccc1-n1cnnn1 71195586 WBLLDPUKOHHKNZ-ZDUSSCGKSA-N 323.360 1.203 0 40 DDAB C[C@H](NC(=O)c1ccc(F)cn1)C1(N2CCOCC2)CCCC1 183355487 XNFJOMHTXXAEPD-ZDUSSCGKSA-N 321.396 1.984 0 40 DDAB O=C(CCn1ccnc1)NCc1cnn(Cc2ccccc2)c1 79336367 XNZKTUCCYJZRAE-UHFFFAOYSA-N 309.373 1.834 0 40 DDAB COCCNCc1ccc(OCc2nc(C)no2)c(OC)c1 35287264 SYWIDYIUQPTMQI-UHFFFAOYSA-N 307.350 1.702 0 40 DDAB Cc1nc(Cl)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72369355 GCDIBOSHKWGOAT-UHFFFAOYSA-N 318.830 1.424 0 40 DDAB COc1ccc(Cl)c(Cn2cnc3c(c2=O)CCNCC3)c1 564925735 GNLZOTPAIMXTGB-UHFFFAOYSA-N 319.792 1.642 0 40 DDAB O=C(CF)NC(NC(=O)CF)c1ccc(Br)cc1 225362408 JPCBSVRVVGPLLN-UHFFFAOYSA-N 321.121 1.619 0 40 DDAB O=C(Cn1cc(N[C@@H]2CCCc3sccc32)cn1)NCCO 195555956 JBIRQEHIUBKTJW-CYBMUJFWSA-N 320.418 1.543 0 40 DDAB Cc1cnc(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)nc1 96245900 JXNAAANJVLILOS-CABCVRRESA-N 309.373 1.560 0 40 DDAB Cn1nnc2c1CCN(C(=O)c1ccco1)[C@H]2COCC1CC1 96100103 UJHHDWAJYMVVOB-ZDUSSCGKSA-N 316.361 1.574 0 40 DDAB O=S(=O)(NC[C@@H]1CCC[C@H]1O)c1cnc2ccsc2c1 95441170 ANBSWTWQYUOAPN-JOYOIKCWSA-N 312.416 1.736 0 40 DDAB Cc1[nH]ncc1CCCNC(=O)CN1CCc2sccc2C1 96421692 MAJXZRWJBWLVBK-UHFFFAOYSA-N 318.446 1.887 0 40 DDAB CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 96408561 NPQZRWNERDUHPM-NSHDSACASA-N 324.427 1.665 0 40 DDAB Cc1ccc(NC[C@@H]2CCN(Cc3nnnn3C3CC3)C2)nc1 97200825 WHQVPAVEUGWJGG-ZDUSSCGKSA-N 313.409 1.645 0 40 DDAB CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccnn1C)CC2 96217670 QAGIOEJQKDXJBK-MRXNPFEDSA-N 304.394 1.427 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)nn1 96041016 ZIWSUTBSSMKULE-UBHSHLNASA-N 302.378 1.047 0 40 DDAB O=C(c1cccnc1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96071159 XZNVFJMZYCHLRT-UHFFFAOYSA-N 313.401 1.946 0 40 DDAB CNC(=O)NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 96491118 QSBYHKKWWWFIBV-JTQLQIEISA-N 321.274 1.864 0 40 DDAB CC(=O)NCc1noc2c1CN(C(=O)c1ccsc1)CC2 96259754 JEKXEXCELBERTP-UHFFFAOYSA-N 305.359 1.571 0 40 DDAB COC[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242688637 VVRYEZUZMBECOL-WZRBSPASSA-N 318.778 1.568 0 40 DDAB Cc1cccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)n1 257248864 JFOAVQPOTJSOTA-INIZCTEOSA-N 315.421 1.748 0 40 DDAB CNc1nccnc1[C@@H]1CN(Cc2ccnc(C)n2)CCO1 257311100 UHXWDDSMJTYGSI-ZDUSSCGKSA-N 300.366 1.190 0 40 DDAB Nc1cc(CC[C@@H]2CN(C(=O)c3cscn3)CCO2)ccn1 257228393 FTQGHVNOEVITSI-GFCCVEGCSA-N 318.402 1.594 0 40 DDAB CC(=O)N1CC2(CCN(Cc3cc[nH]n3)CC2)C[C@@H](O)C1(C)C 257211423 BYUJHQDUKWSGGQ-OAHLLOKOSA-N 320.437 1.384 0 40 DDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 257295265 QXQJMUWGXZFXBN-AWEZNQCLSA-N 315.377 1.095 0 40 DDAB CC[C@H](C)N1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099384 HSLCCVONXWKXPV-SUMWQHHRSA-N 303.406 1.613 0 40 DDAB CS(=O)(=O)NC[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585287062 SFOUBPCEEQBXJP-LERXQTSPSA-N 317.382 1.283 0 40 DDAB Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2nc(C)nc2C)on1 69491918 XFEZBOAPDJXMNL-CYBMUJFWSA-N 318.381 1.294 0 40 DDAB NC(=O)C1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 71795045 GXCSTPMXBBLMLV-UHFFFAOYSA-N 308.353 1.709 0 40 DDAB O=C1CN(c2ncc(Cl)cn2)CCN1Cc1ccccc1 1167103750 IVZGEZJRQHMFRU-UHFFFAOYSA-N 302.765 1.979 0 40 DDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CCO1 47797946 GTEAAZMLPDYAQQ-HIFRSBDPSA-N 308.422 1.805 0 40 DDAB CCc1nc(C)c(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)s1 51468603 RERJQVFNVVHVRT-QWRGUYRKSA-N 311.451 1.853 0 40 DDAB CCCCNC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 40540064 AEFQJDIAFFKNAH-AWEZNQCLSA-N 305.357 1.821 0 40 DDAB O=C(NCc1ccsc1)N1CCC[C@H]1CN1CCOCC1 73629427 DHRVSDPINIYNJH-AWEZNQCLSA-N 309.435 1.754 0 40 DDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 76045437 RYODGPHRFVEYQG-ZDUSSCGKSA-N 301.350 1.041 0 40 DDAB COC(=O)c1ccc(-c2noc([C@@H]3CCS(=O)(=O)C3)n2)cc1 78803064 KPCOCDCATMQSSE-LLVKDONJSA-N 322.342 1.425 0 40 DDAB Cc1ccc([C@H](CNC(=O)c2ccco2)N2CCOCC2)o1 40477359 JRDIISOSXZGYHV-ZDUSSCGKSA-N 304.346 1.984 0 40 DDAB CC(C)(CNC(=O)c1n[nH]c(=O)[nH]1)c1c(F)cccc1Cl 95404723 KPZZXXHDGNYRBO-UHFFFAOYSA-N 312.732 1.598 0 40 DDAB CCc1nnsc1C(=O)N1CCN(Cc2ccco2)CC1 97527652 SOVZUVPETIOXRV-UHFFFAOYSA-N 306.391 1.652 0 40 DDAB O=C1OC2(CCNCC2)[C@H]2CN(Cc3ccccc3)CCN12 1549163015 ZKAUQNGMSKNRSX-OAHLLOKOSA-N 301.390 1.445 0 40 DDAB CCn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2 1547201039 QYUSFTLHQTYVRN-UHFFFAOYSA-N 323.150 1.816 0 40 DDAB O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nn[nH]n2)c1 1772714951 PWCUNBBRJUDGEQ-UHFFFAOYSA-N 305.297 1.663 0 40 DDAB CN(C)C(=S)SN[C@@H](Cc1ccc(O)cc1)C(=O)O 19419299 LOQHAFAHYCAHIF-JTQLQIEISA-N 300.405 1.472 0 40 DDAB CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2cc(CC)on2)n1 19522544 JKFWMVXXTDJDPX-ZDUSSCGKSA-N 316.361 1.860 0 40 DDAB CO[C@@H]1COC[C@@H](CNCc2c[nH]c3cc(C)ccc23)[C@@H]1O 643585369 CWSFCOZNTAUYFM-XYPHTWIQSA-N 304.390 1.588 0 40 DDAB COCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1nccn1C 12114946 HPFHVMDNBJHNOP-OAHLLOKOSA-N 319.361 1.289 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCN2CCCC2=O)s1 21871010 AENNRDYULBOVRM-UHFFFAOYSA-N 302.421 1.347 0 40 DDAB Cc1cnccc1O[C@H]1CCN(c2ccc3nnc(C)n3n2)C1 1889138939 WSPMTIJRUXYHPB-ZDUSSCGKSA-N 310.361 1.794 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H]2COc3ccccc3C2)c(=O)[nH]1 16104581 HHSOYLVJWBVZKY-AWEZNQCLSA-N 312.369 1.859 0 40 DDAB Cc1ccc(F)cc1S(=O)(=O)N(CC(=O)O)CC1CC1 36885636 UZFRIBHPPYZCGN-UHFFFAOYSA-N 301.339 1.619 0 40 DDAB COCC(=O)N1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978495 YYLRPJGEXPUHAU-UHFFFAOYSA-N 317.389 1.126 0 40 DDAB O=S(=O)(NC[C@H]1CCC[C@@H]1O)c1c(F)cc(F)cc1F 89165422 GEQDJBHKWOEWQN-HQJQHLMTSA-N 309.309 1.543 0 40 DDAB O=C(c1cc[nH]n1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1 1565544370 JDDTXJDWEUCPKB-YPMHNXCESA-N 324.388 1.212 0 40 DDAB CCCC(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 13854607 IQLIXOAVTKBOAG-UHFFFAOYSA-N 317.389 1.681 0 40 DDAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)N1CCOCC1 38497811 IGBUQECDAYLIDP-UHFFFAOYSA-N 316.313 1.472 0 40 DDAB COC(=O)N1CCN(CCNC(=O)NC2CCCCC2)CC1 44227234 RDFDYKNBCWYJIG-UHFFFAOYSA-N 312.414 1.002 0 40 DDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3C[C@H]2CO3)C1 368341061 DPJXMLXGPXVPAE-FRRDWIJNSA-N 310.394 1.633 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CC(OCC(F)(F)F)C1 390830530 LPKQRIGDNCOXOR-UHFFFAOYSA-N 303.236 1.819 0 40 DDAB CC1(C)CN(CCNS(=O)(=O)c2ccc(F)cc2)CCO1 97103202 HPCQSYRVAZHCDK-UHFFFAOYSA-N 316.398 1.215 0 40 DDAB CC[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 40024929 AYJXARMGXTYWFM-OAHLLOKOSA-N 324.446 1.720 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)C1 20018916 WWZGUDTZGYXSIZ-VIFPVBQESA-N 316.354 1.913 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(Cc2ccco2)C1 40465518 RQVNTJNWHXIPDG-ZDUSSCGKSA-N 313.357 1.382 0 40 DDAB COC(=O)c1cnc(NC(=O)[C@H](C)OCC(F)(F)F)s1 31713026 INQOGSJXVBVZNQ-YFKPBYRVSA-N 312.269 1.836 0 40 DDAB O=C1c2ccccc2C(=O)N1CCN1CCO[C@H]2CCCC[C@@H]21 51995928 UAIFKPMDJQDARL-HOTGVXAUSA-N 314.385 1.926 0 40 DDAB C[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1 32699763 NKFRMJHGBWQCGR-OCCSQVGLSA-N 310.419 1.330 0 40 DDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cn1cccn1 32760870 HEUNDXPBLSECTO-UHFFFAOYSA-N 312.373 1.434 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccccc1F 32751132 XRUKDYIKQCIVKZ-GFCCVEGCSA-N 321.348 1.885 0 40 DDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccn(C)n2)CC1=O 52528276 BFDLQMZZACENQB-GXTWGEPZSA-N 312.373 1.968 0 40 DDAB COc1cc([C@@H](C)NC(=O)Cn2cnnn2)ccc1OC(C)C 41867811 DQUXRFPZUOHAFB-LLVKDONJSA-N 319.365 1.346 0 40 DDAB CC(=O)N1CCC(CNC(=O)NCc2cccc(O)c2)CC1 105169425 OJMIASFGBRLPQI-UHFFFAOYSA-N 305.378 1.450 0 40 DDAB COc1cccc(C(=O)NCCCNc2ncccn2)c1OC 42757187 AWKHNWJJHLVXRF-UHFFFAOYSA-N 316.361 1.726 0 40 DDAB C[C@@H](C(=O)NCCCn1ccc2ccccc21)S(C)(=O)=O 47796426 XHCJBUOGTNBZMH-LBPRGKRZSA-N 308.403 1.581 0 40 DDAB O=C(NC[C@H]1CCCO1)Nc1nnc(-c2ccccn2)s1 47788929 OHDRWWSCGIQGDU-SECBINFHSA-N 305.363 1.901 0 40 DDAB Cn1cc(C(=O)N2CCN(CCc3cccs3)CC2)cn1 55644490 OVTNOVPCENUDDP-UHFFFAOYSA-N 304.419 1.482 0 40 DDAB O=C(c1ccccn1)N1CCN(C(=O)c2cccs2)CC1 25270144 ORIHTHHWKHGVOE-UHFFFAOYSA-N 301.371 1.741 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H](C)S(C)(=O)=O 107360907 SSVDKYFLZYNOOB-GXTWGEPZSA-N 324.446 1.677 0 40 DDAB Cc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)o1 26099047 ZZDHITMLCGJPFS-AATRIKPKSA-N 312.391 1.141 0 40 DDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cccc2cccnc12 6649455 QSKZZANHMOBSHN-LBPRGKRZSA-N 318.402 1.963 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(OC)c(OC)c1 6957920 VWZGXRCIPRHMOH-UHFFFAOYSA-N 303.380 1.409 0 40 DDAB COCCOCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 26382715 XGMLOCBQCLXQOM-QGZVFWFLSA-N 323.389 1.934 0 40 DDAB O=C1[C@H](N2CCC[C@@H](c3ccn[nH]3)C2)CCN1CC(F)(F)F 72277646 GTWBYGOQQCWMIM-ZYHUDNBSSA-N 316.327 1.752 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)cc1Cl 44502589 XMKVVFLQTJXWBT-SNVBAGLBSA-N 318.826 1.627 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC)c(C)c1 28207580 VJGZPCQZWSGPRA-UHFFFAOYSA-N 314.407 1.150 0 40 DDAB CN(CC(=O)NCC(F)(F)F)Cc1cccc2c1OCCO2 58218191 IRXFQSYODFQFNB-UHFFFAOYSA-N 318.295 1.568 0 40 DDAB COC(=O)C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1 58217282 RXTFDQGZMILELQ-CYBMUJFWSA-N 323.374 1.003 0 40 DDAB C[C@@H](CN1CCOCC1)NC(=O)c1cncn1-c1ccccc1 44940380 HQIODZKMHFLKLR-AWEZNQCLSA-N 314.389 1.323 0 40 DDAB Cc1cc(CN(C)C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)no1 44967772 SCWJREFZTAMGNJ-CHWSQXEVSA-N 310.398 1.234 0 40 DDAB O=C(c1cnc2sccn2c1=O)N(C[C@H]1CCOC1)C1CC1 44941179 NNWWWTMIIBSREF-SNVBAGLBSA-N 319.386 1.397 0 40 DDAB CN(C)c1ncccc1CNC(=O)c1cnn(C)c1-n1cccc1 44941450 YRUUMUNOAASEFL-UHFFFAOYSA-N 324.388 1.602 0 40 DDAB Cc1cc2ccccc2n1CC(=O)O[C@@H]1CCS(=O)(=O)C1 58378547 WSYVQVQCVHTNHE-CYBMUJFWSA-N 307.371 1.680 0 40 DDAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1(C)C 58403961 NELQSQWTJFAOAC-CHWSQXEVSA-N 314.451 1.329 0 40 DDAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(O)nn1 24185325 WODMLESPMMWKST-UHFFFAOYSA-N 307.737 1.987 0 40 DDAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 36392491 KXVLOQSOVOIMHX-UHFFFAOYSA-N 314.407 1.983 0 40 DDAB CCNC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2 102788139 HAOFDONVNNSIAL-SCQRFTTHSA-N 322.405 1.141 0 40 DDAB COc1ccc(NC(=O)CSc2nc(O)nnc2C)cc1 11990593 ZLWQPGRWMMLZNL-UHFFFAOYSA-N 306.347 1.625 0 40 DDAB Cn1cc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cn1 72281811 LZFOMSCREGKAED-CQSZACIVSA-N 324.344 1.253 0 40 DDAB O=C1C[C@@H](SC2=NCCN2)C(=O)N1c1ccc(Cl)cc1 2727438 IXFMKILIMRPKNU-SNVBAGLBSA-N 309.778 1.664 0 40 DDAB CC(C)(CO)NC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12391022 GPHQRLGDPALDEO-UHFFFAOYSA-N 300.318 1.719 0 40 DDAB NC1=N[C@@]2(N=C(Nc3ccc(F)cc3)N1)C(=O)Nc1ccccc12 19327176 LHKBHIZVLYMZQK-INIZCTEOSA-N 324.319 1.317 0 40 DDAB c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)cn1 107728294 PCYJXNLEZDMUNJ-ZBFHGGJFSA-N 300.362 1.915 0 40 DDAB NC(=O)c1ccc(CN2C(=O)CC3(CCCCC3)C2=O)cc1 12769548 UJCFUDOOGQMRJM-UHFFFAOYSA-N 300.358 1.995 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1 3394094 KLMOKXABTXOXNC-UHFFFAOYSA-N 311.359 1.375 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(O)CC2)c1C 12905167 WMTVSRRCYBZNPJ-LLVKDONJSA-N 308.378 1.446 0 40 DDAB COc1ccc([C@H]2C/C(=C3/C(=O)N(C)C(=O)N=C3O)NN2)cc1 9059084 RJOUSSJYESACNT-ZOAHYWAASA-N 316.317 1.037 0 40 DDAB Cn1ncc2c1NC(=O)CS[C@H]2c1ccc(C(=O)O)cc1 49546918 ZHEPUHAHKKKSAU-LBPRGKRZSA-N 303.343 1.893 0 40 DDAB CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 4179235 AZERMEIHQZCSDJ-RFGFWPKPSA-N 301.298 1.482 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 4386571 IKFFAMSUVKMLRM-UHFFFAOYSA-N 322.390 1.210 0 40 DDAB Cc1ncsc1COC(=O)c1ccc2c(c1)[nH]c(=O)n2C 72283238 FGXZWMQMNQUPKW-UHFFFAOYSA-N 303.343 1.989 0 40 DDAB Cc1ncsc1C(=O)NCCNC(=O)Cc1cccc(F)c1 65402323 FLJNQURLJGDZMA-UHFFFAOYSA-N 321.377 1.679 0 40 DDAB Cc1nccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 65512025 DPZRUDMSAFPJIV-OAHLLOKOSA-N 310.357 1.488 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc2c(c1)CCC2 65550146 CABMGLJCGYWBHE-WBMJQRKESA-N 300.402 1.830 0 40 DDAB CCC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 4689054 CDPHTGBOSLPXLF-NSHDSACASA-N 316.398 1.897 0 40 DDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnccn1 9390124 MQDJTKFBKVFBON-CQSZACIVSA-N 324.340 1.472 0 40 DDAB Cc1cccnc1CN1CCN(C(=O)[C@H](N)CC(C)C)CC1 71681354 KIZLFLODWIGCNS-OAHLLOKOSA-N 304.438 1.408 0 40 DDAB CCn1cnnc1CNC(=O)C(=O)Nc1ccc(F)c(C)c1 71799736 OYHMKLQBLSYFFS-UHFFFAOYSA-N 305.313 1.000 0 40 DDAB CC(C)(C)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9515427 OYQMNBRKOXQCJW-QGZVFWFLSA-N 300.358 1.995 0 40 DDAB COC(=O)CNC(=O)[C@@H](C)OC(=O)c1sccc1C1CC1 83967270 FOJOJMBIWVULSK-MRVPVSSYSA-N 311.359 1.460 0 40 DDAB O=C(N1CCCn2ncnc21)C1(c2ccccc2)CCOCC1 71839404 SLZOZVLTVCQCQM-UHFFFAOYSA-N 312.373 1.763 0 40 DDAB Cc1ccc(CN(C)C(=O)CN[C@H](C)[C@H](C)n2cccn2)o1 70040841 UNGZLVATBBVKTB-KGLIPLIRSA-N 304.394 1.982 0 40 DDAB Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F 71847024 FYZNWZMRGDEZNN-VOTSOKGWSA-N 322.315 1.789 0 40 DDAB Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O 91585051 ZEWNNRZLMAHETL-GFCCVEGCSA-N 301.321 1.677 0 40 DDAB Cc1nnc([C@@H](C)N2CCN(Cc3c(C)noc3C)CC2)o1 71836906 PBIXFZSBAOWSMJ-LLVKDONJSA-N 305.382 1.862 0 40 DDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)o1 69652064 XMEKJBFHAHNROK-AWEZNQCLSA-N 316.361 1.627 0 40 DDAB COC(=O)C[C@H](NC(=O)c1cnn[nH]1)c1ccc(SC)cc1 69617000 KRLIMIRZCIFMJD-NSHDSACASA-N 320.374 1.561 0 40 DDAB C[C@H](NC(=O)NCc1cccnc1)C(=O)N1CCCC[C@@H]1C 69770195 YVCAWCZRARLLJS-STQMWFEESA-N 304.394 1.670 0 40 DDAB Cc1ccc2cc(C(=O)NC[C@H](C)N3CCN(C)CC3)[nH]c2c1 71867402 KHCANILYZIIECW-AWEZNQCLSA-N 314.433 1.842 0 40 DDAB CCc1noc(CN2CCNC(=O)C[C@@H]2c2ccccc2)n1 71828183 LVDHHIZRDGTNLI-CYBMUJFWSA-N 300.362 1.695 0 40 DDAB C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72287439 CXCGXGSEYAFRCS-STQMWFEESA-N 300.362 1.978 0 40 DDAB COCCc1noc(CN2CCCC[C@@H]2Cn2cccn2)n1 69946893 LNFZYMVFJKDHQX-CYBMUJFWSA-N 305.382 1.510 0 40 DDAB COc1cccc(CNC(=O)[C@H]2CCc3nccn3C2)c1OC 97164919 PONOBDPBXAAYHD-ZDUSSCGKSA-N 315.373 1.779 0 40 DDAB Cc1nc(NC(=O)c2cc(Br)c(C)[nH]c2=O)n[nH]1 97102452 YFISKWNTMNFQEC-UHFFFAOYSA-N 312.127 1.125 0 40 DDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCOC3(CCCC3)C2)C1 95422739 RONPXIATOXSISX-OAHLLOKOSA-N 320.433 1.807 0 40 DDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cccc(C)n1)CC2 95400663 SJTJXEZHNZWJAJ-GJZGRUSLSA-N 304.390 1.782 0 40 DDAB COc1ccccc1CN(C)C(=O)CN1C[C@@H](C)N(C)C[C@H]1C 95454191 SECQPTZCXROGIW-HUUCEWRRSA-N 319.449 1.678 0 40 DDAB C[C@@H]1CN(C(=O)c2cnsn2)c2ccccc2N(C)C1=O 95401251 YTUNNHAQYYEXCP-SECBINFHSA-N 302.359 1.797 0 40 DDAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccccn3)[nH]2)cn1 95956447 DLEORCZFNYQNNE-MNOVXSKESA-N 309.333 1.342 0 40 DDAB CN(CC(=O)Nc1ccc2oc(=O)n(C)c2c1)[C@@H]1CCSC1 95978464 BSHUYUBTESOXAE-LLVKDONJSA-N 321.402 1.507 0 40 DDAB Cc1noc(C)c1CNC(=O)NC[C@@H](O)c1ccc(F)cc1 95955243 JTQALVXPLVFZQN-CQSZACIVSA-N 307.325 1.963 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 95946608 NVRSXPWBMSFNIM-UHFFFAOYSA-N 323.374 1.010 0 40 DDAB COC(=O)[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)O1 89496937 PYDDNDQTUYTNBI-CZUORRHYSA-N 315.373 1.635 0 40 DDAB Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@@](C)(O)C3)CC2=O)cc1 75093335 WMZZSXGWQGWCLX-MAUKXSAKSA-N 316.401 1.327 0 40 DDAB C[C@H](NC(=O)Cc1cccc(O)c1)c1nnnn1-c1ccccc1 75139986 RMFWZOJQEPFEKW-LBPRGKRZSA-N 323.356 1.788 0 40 DDAB CC(C)c1nc([C@@H]2CCCN2C(=O)Cn2ccccc2=O)no1 76044337 PDVOFBBCYYWKHH-LBPRGKRZSA-N 316.361 1.718 0 40 DDAB COc1cccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 408617465 ANMQZPWZGXPHIG-OJFNHCPVSA-N 323.348 1.889 0 40 DDAB COc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)ccc1O 2583016 DVQDNEXWFJBUAV-JTQLQIEISA-N 311.334 1.921 0 40 DDAB biogenic CCOCn1nc(C)c(C[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1C 521396448 ZSHDXUXVRHXINH-DOMZBBRYSA-N 323.437 1.968 0 40 DDAB COC(=O)c1ncn(CC(=O)N[C@H](c2ccccc2)C2CC2)n1 78995538 BNIXNNDYVWGCKD-CQSZACIVSA-N 314.345 1.332 0 40 DDAB O=S(=O)(NCCc1cccs1)c1ccc2c(c1)OCO2 74856060 MOICZGZLZZUDBL-UHFFFAOYSA-N 311.384 1.998 0 40 DDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@@H]1CCCO1 72406385 WSWBMINBESPUJH-AWEZNQCLSA-N 313.357 1.206 0 40 DDAB CC(C)Nc1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1 72364974 DXMBGDYTHKHBCE-GFCCVEGCSA-N 312.439 1.511 0 40 DDAB O=C(Cn1ccccc1=O)Nc1c[nH]nc1-c1nccs1 562572313 KHUJNZDINKPJOO-UHFFFAOYSA-N 301.331 1.334 0 40 DDAB NC(=O)[C@@H]1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1 79002584 DZMMKOWVNNAJSO-CQSZACIVSA-N 324.384 1.323 0 40 DDAB CCc1noc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 40714743 GCBVKASRYVWVBM-VIFPVBQESA-N 307.379 1.812 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCCc1ccccc1 226124209 LNMLOULAJQASAY-CBBWQLFWSA-N 301.342 1.390 0 40 DDAB Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225555910 AANUNRRDXMARPB-LBPRGKRZSA-N 317.349 1.481 0 40 DDAB COC[C@H](C)NC(=O)CCc1nc(-c2cccc(OC)c2)no1 225825296 QHGSUJSLWVZSNT-NSHDSACASA-N 319.361 1.829 0 40 DDAB CCN1CCOC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96049605 VWYPOARAKHEICS-MRXNPFEDSA-N 304.394 1.051 0 40 DDAB Cc1nc2c(N3CCC(O)(Cn4ccnc4)CC3)ncnc2o1 91876500 UTQFZCJFERKKNU-UHFFFAOYSA-N 314.349 1.154 0 40 DDAB CCOc1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 96192384 KNUFOBGAWGJVRQ-UHFFFAOYSA-N 316.361 1.577 0 40 DDAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C)CC3)CC(=O)N2C)cc1 96181343 PSKUWEYLXFTPJA-DOTOQJQBSA-N 315.417 1.288 0 40 DDAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCO 97012211 JGNMBXGOMMXSQS-UHFFFAOYSA-N 311.744 1.754 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4cccs4)C[C@H]3O2)n1 96220741 ZSTBNJTXNBIULQ-QJPTWQEYSA-N 319.386 1.912 0 40 DDAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccnc1OC)C2 96039200 NKVKZHCWNIXOMM-YOEHRIQHSA-N 320.389 1.748 0 40 DDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1 96199727 HMLSNAJWNRUADT-AWEZNQCLSA-N 324.384 1.688 0 40 DDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3cccnc3)C2)n1 96057631 WQXQRQVDMKSIAR-BFHYXJOUSA-N 314.345 1.560 0 40 DDAB O=C(O)c1csc(CNC(=O)c2cn3ccccc3n2)n1 90932381 WCNBIGRODNNCJR-UHFFFAOYSA-N 302.315 1.419 0 40 DDAB O=C([C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@H]2O1)N1CCCO1 96042882 GIQRNOJSEHGOQU-ARFHVFGLSA-N 324.421 1.056 0 40 DDAB CN(C)CC(=O)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109350 BZEYWLVKGPBALI-QAPCUYQASA-N 317.433 1.789 0 40 DDAB N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382577 SNVJCFYEXDZAKT-RRCSTGOVSA-N 317.364 1.142 0 40 DDAB biogenic,in-vitro COC(=O)c1cncnc1N1CCN(c2ncccc2F)CC1 253415511 NKTGMQAQCXANTP-UHFFFAOYSA-N 317.324 1.124 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2cccc3cccnc23)CCO1 257258144 KSNKFTRJNBATEO-GOSISDBHSA-N 313.401 1.914 0 40 DDAB Cn1nc(N)c2ccc([C@@H]3CCCN(c4ncccn4)C3)nc21 257258488 KUFFDUVQSINOBN-LLVKDONJSA-N 309.377 1.725 0 40 DDAB Cc1nccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257237419 HGJVZRIMNYCUJQ-OAHLLOKOSA-N 319.386 1.547 0 40 DDAB O=C(NCCCO)C1CCN(C(=O)c2cccc(Cl)c2)CC1 269149535 LBTINPBVBYAVCF-UHFFFAOYSA-N 324.808 1.691 0 40 DDAB COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc2c(c1)CCC2 643847255 CLKYUKKXFCRCPP-KRWDZBQOSA-N 303.358 1.881 0 40 DDAB Cc1ccnc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)n1 585276435 JWVMSINYCNXJSJ-QGZVFWFLSA-N 313.357 1.441 0 40 DDAB CCCc1cc(NC(=O)Nc2ccc(=O)n(CCO)c2)n(C)n1 585141185 QTIHZFNJLXCALF-UHFFFAOYSA-N 319.365 1.171 0 40 DDAB COc1ccc(C(=O)N(CCCN(C)C)CCCN(C)C)cn1 69770278 FHKJATWJNHTLIV-UHFFFAOYSA-N 322.453 1.436 0 40 DDAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)nn1 69970750 ILHQYBWMBKMLFM-CYBMUJFWSA-N 314.393 1.434 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cccn(C)c2=O)n1 69930067 UGFCVMONNSMJBA-CQSZACIVSA-N 314.389 1.503 0 40 DDAB NC(=O)[C@H]1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)C1 48038705 DNKWGZWSTTVLRF-GJZGRUSLSA-N 301.390 1.157 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)no1 1775995274 LEHJFTHLYYFMGA-GFCCVEGCSA-N 302.334 1.704 0 40 DDAB COc1ccnc(N2CCN(c3ncnc4cc[nH]c34)CC2)n1 1776009094 URPHBIKVVCCERD-UHFFFAOYSA-N 311.349 1.083 0 40 DDAB COc1ncccc1NC(=O)N(C)Cc1ccc(C(N)=O)cc1 48250466 YKHCXEJGSVIAPJ-UHFFFAOYSA-N 314.345 1.853 0 40 DDAB CCOC(=O)C1=CN[C@H]2C=C3C(=CN2C1=O)CCCCN3C 55175072 SUJXMZCYEDHGTL-CQSZACIVSA-N 303.362 1.088 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)NCc1ccccn1 53246360 HPDNBBBGVADHAO-UHFFFAOYSA-N 312.373 1.669 0 40 DDAB CC(=O)c1cccc(NC(=O)NC[C@](C)(O)c2cnn(C)c2)c1 78869944 FBILFFKHZZWMHK-INIZCTEOSA-N 316.361 1.652 0 40 DDAB CN1CCN(CC(=O)NCCc2ccc(F)cc2)C(C)(C)C1=O 79074671 KFVGNHVXLCAXKC-UHFFFAOYSA-N 321.396 1.037 0 40 DDAB C[C@H](OCc1ccccc1)C(=O)NCc1nnc2n1CCC2 40514053 SQKBIMHADSOQBX-LBPRGKRZSA-N 300.362 1.446 0 40 DDAB CN(C)[C@H](CNC(=O)CCn1cncn1)c1ccccc1Cl 41946538 AWFVEMIABSFJFQ-CQSZACIVSA-N 321.812 1.741 0 40 DDAB COc1cccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)c1 108527283 FITBNBLSXHSLDT-UHFFFAOYSA-N 324.446 1.599 0 40 DDAB O=C(c1cccc(F)c1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166934 KQHPNXHFGBOJKB-UHFFFAOYSA-N 304.321 1.594 0 40 DDAB CCOc1ccc(NC(=O)CSc2nnc(CC)n2N)cc1 5555126 OCGLXNXAGVYFRS-UHFFFAOYSA-N 321.406 1.684 0 40 DDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nccc(N(C)C)n1 207978275 SJMMLDHZHJPTHU-GFCCVEGCSA-N 300.362 1.626 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)NC3CCCCC3)C2)nn1 225440380 LCAHTGANBHMQNT-ZDUSSCGKSA-N 320.393 1.981 0 40 DDAB Cc1cccc(NC(=O)C[C@@H](C(=O)O)N2CCOCC2)c1C 4264022 CQMXFRYXHMWIGK-AWEZNQCLSA-N 306.362 1.417 0 40 DDAB CCN1CCOc2ccc(NS(=O)(=O)C(C)C)cc2C1=O 8961622 LCVFKDWORTUJCZ-UHFFFAOYSA-N 312.391 1.691 0 40 DDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ncccn2)C1 573748470 UKSXICWVJIEXFM-NEPJUHHUSA-N 300.366 1.434 0 40 DDAB CCn1ncc(Br)c1C(=O)NCc1cccnc1 28223832 QJWBBGUOFLTUDA-UHFFFAOYSA-N 309.167 1.991 0 40 DDAB CCC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840460 NDHDIIYRZTZIHX-QGZVFWFLSA-N 320.364 1.960 0 40 DDAB O=C1COC[C@]2(CN(CC3CC3)CCO2)CN1c1ccccc1 2037980626 BGSIVOOXFQDIQW-SFHVURJKSA-N 316.401 1.531 0 40 DDAB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)C2CC2)s1 4079387 IAUXTUXKASDBQF-ZCFIWIBFSA-N 301.393 1.930 0 40 DDAB CSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C=C(C(=O)O)N2 12389678 WEWWJBGNXFJGTI-SNVBAGLBSA-N 304.331 1.689 0 40 DDAB CCc1ccc(-c2cc(C(=O)NCC(OC)OC)n[nH]2)cc1 1775968826 MKZVGDAGNKDJGI-UHFFFAOYSA-N 303.362 1.988 0 40 DDAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1cccc(F)c1 10434196 SMJUWEOBBBBACX-CYBMUJFWSA-N 306.293 1.990 0 40 DDAB C[C@H]1CN(c2ccc(C(=O)N3CCO[C@H](C)C3)cn2)C[C@H](C)O1 30036545 NZBAHYQVLPAZEE-RDBSUJKOSA-N 319.405 1.556 0 40 DDAB CCN1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 50122940 IYUSSZREAKRMIJ-UHFFFAOYSA-N 317.389 1.539 0 40 DDAB Cc1cc(C)cc(OCCN(C)C[C@@H](O)Cn2cccn2)c1 51500570 RMIHREKLQFYGNS-MRXNPFEDSA-N 303.406 1.872 0 40 DDAB O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 32672758 SHTSEBILSADENS-ONGXEEELSA-N 318.270 1.899 0 40 DDAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cn1cccnc1=O 32714908 ZQNRSCVEOAYCCK-GFCCVEGCSA-N 301.346 1.438 0 40 DDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCOCC1 21602987 GGXKDXTZELBJHH-UHFFFAOYSA-N 324.402 1.592 0 40 DDAB O=C(NCC(=O)N1CCCC1)C1=NO[C@H](c2ccccc2)C1 54364577 BAGRILZYUXSBLV-AWEZNQCLSA-N 301.346 1.243 0 40 DDAB Cc1noc([C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 106041998 GVJMAQFFBNTING-DGCLKSJQSA-N 308.382 1.010 0 40 DDAB CC(C)NC(=O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 96004441 AQTITHHOTHVOJH-QGZVFWFLSA-N 300.358 1.154 0 40 DDAB Cc1cc(C)n2c(SCC(=O)N3CCCCC3)nnc2n1 804307 BVPRSWYGXMSEIY-UHFFFAOYSA-N 305.407 1.846 0 40 DDAB CC(=O)N1CCN([C@@H]2CN(Cc3nc(C)c(C)o3)C[C@H]2C)CC1 78895964 VOTXREIQNFYWLV-MLGOLLRUSA-N 320.437 1.276 0 40 DDAB C[C@H]1COCCN1c1ncc(Cl)c(N2CCOC[C@H]2C)n1 78998672 SXURKKLASYHHCD-MNOVXSKESA-N 312.801 1.580 0 40 DDAB Cc1cc([C@@H]2CCCN(CC(=O)NC[C@H]3CCOC3)C2)n[nH]1 107324084 YLZKXLWCNFVGMS-ZIAGYGMSSA-N 306.410 1.050 0 40 DDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2)cc1 7896679 CAGWBLAESXXNDN-UHFFFAOYSA-N 321.354 1.570 0 40 DDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 10041373 KYGTWPNVTFXOBW-LBPRGKRZSA-N 304.371 1.992 0 40 DDAB CCCCCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 10023662 MLFLSGPWSGDLDB-UHFFFAOYSA-N 311.407 1.181 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2nccs2)CC1 10269882 BSEAIUSPFRLYRB-UHFFFAOYSA-N 317.370 1.834 0 40 DDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1 44945990 IDLBROPBWAPIHA-JQWIXIFHSA-N 322.386 1.980 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1C 44935894 PQBRVXPIABIMNW-CYBMUJFWSA-N 323.418 1.957 0 40 DDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2 45075061 NQAZXDFACKFQQK-NSHDSACASA-N 314.382 1.265 0 40 DDAB O=C(NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 58406140 NMEYJGWYPYNWSE-GJZGRUSLSA-N 302.374 1.586 0 40 DDAB CN1N[C@@H](c2cccs2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 101130172 JKAGYUJTJJTIEJ-HZSPNIEDSA-N 319.430 1.926 0 40 DDAB C[C@H]1CC(C)(C)C[C@@](CO)(NCCCS(=O)(=O)N(C)C)C1 89920171 QMUSPZADJJQRRG-ZFWWWQNUSA-N 320.499 1.435 0 40 DDAB O=c1n(Cc2ccc(-n3cccn3)cc2)nnn1-c1ccccc1 10802124 CAYHGFMPNONWND-UHFFFAOYSA-N 318.340 1.663 0 40 DDAB CS(=O)(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1 29680072 JVONSYIRKIZLAP-UHFFFAOYSA-N 311.190 1.272 0 40 DDAB CC1CCN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)CC1 46955960 AWQKOESNGKFDJY-UHFFFAOYSA-N 321.465 1.483 0 40 DDAB CCN1CCN(CCCCNC(=O)N2C[C@H]3[C@H](C2)C3(C)C)CC1 102713921 BVKGGGSFOLCBHX-HOTGVXAUSA-N 322.497 1.702 0 40 DDAB CCOC(=O)CCCNC(=O)COc1ncnc2ccccc12 3277899 DPJBNVYPTBXXSD-UHFFFAOYSA-N 317.345 1.468 0 40 DDAB Cc1cccnc1NC(=O)Cn1nc(-c2ccccc2)oc1=O 12734104 SGLBHCMJFXTZSA-UHFFFAOYSA-N 310.313 1.845 0 40 DDAB O=C(O)CCN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 12785615 QASLOHVMVJDLSN-MRXNPFEDSA-N 302.330 1.635 0 40 DDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)s1 3384831 ZEIPZRCDCMJSLN-UHFFFAOYSA-N 318.354 1.951 0 40 DDAB CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2-c1ccccc1 3329034 BLUUTSKROZLSAK-UHFFFAOYSA-N 301.327 1.525 0 40 DDAB CC(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)N1CCOCC1 48333541 ZJVGCQGUUZLKQF-DOTOQJQBSA-N 318.417 1.463 0 40 DDAB CC(=O)NCCc1ccc(C2=NN=C(NC3CC3)SC2)cc1 12976673 RUQHTLPBCFTCHL-UHFFFAOYSA-N 316.430 1.924 0 40 DDAB CN1CCN(c2nc(-c3ccccc3Cl)cc(=O)[nH]2)CC1 13682763 STSCXUWONMIIAA-UHFFFAOYSA-N 304.781 1.842 0 40 DDAB COc1ccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)cc1O 65496837 DTTMDLNTFQTJJP-ZDUSSCGKSA-N 321.377 1.211 0 40 DDAB CC(C)c1nc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)no1 65519051 ILNMCBCWHULZAR-LBPRGKRZSA-N 314.345 1.856 0 40 DDAB Cc1cc(F)ccc1NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 65522286 GSNHPFLZKJRGME-UHFFFAOYSA-N 314.320 1.960 0 40 DDAB CC(C)[C@@H](NC(=O)Cn1[nH]c(=O)ccc1=O)c1ccccc1 65622615 QTUVDUKJUXUHOP-MRXNPFEDSA-N 301.346 1.050 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CC2)C(C)C)cc1 14188738 ZTUBYHILJQGOES-CQSZACIVSA-N 310.419 1.577 0 40 DDAB CCNC(=O)CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 66274671 KNWKZFIKJPEIBB-UHFFFAOYSA-N 314.307 1.989 0 40 DDAB O=c1cc(CN2CCC[C@H]2CN2CCCC2)[nH]c2ccnn12 66535458 DISJLLZZLQWEKC-AWEZNQCLSA-N 301.394 1.083 0 40 DDAB COc1ccc(Cc2nnc(SCC(C)=O)[nH]c2=O)cc1 19897640 ZNLFVVQNKDTHEO-UHFFFAOYSA-N 305.359 1.445 0 40 DDAB CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1Cn1cccn1 71866698 GMHAGWPICYVFNK-CHWSQXEVSA-N 307.398 1.101 0 40 DDAB COCCN1C[C@@H](C(=O)N2CCC[C@H]2c2cc(C)no2)CC1=O 71821556 FUJGZRJCXBABAG-STQMWFEESA-N 321.377 1.141 0 40 DDAB CCOC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)nc1 71857896 KYVAIDCFFQJEAO-OCCSQVGLSA-N 317.389 1.563 0 40 DDAB Cc1ccc(SCC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 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NC(=O)COc1cccc(CN2CCC[C@H](c3ccn[nH]3)C2)c1 72277115 MLWMMTBLZCGWHP-AWEZNQCLSA-N 314.389 1.653 0 40 DDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](n2cncn2)C1 72272181 YHUWUTMBGJUIKI-CQSZACIVSA-N 316.409 1.425 0 40 DDAB CN(C)c1ncc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)cn1 95984877 UYQWCHGXMBLFFH-ZDUSSCGKSA-N 318.425 1.492 0 40 DDAB CCN(C(=O)c1cnc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 72628670 NOGLNFQRULCYBW-NSHDSACASA-N 319.386 1.279 0 40 DDAB COc1c(C)cnc(CN2CCO[C@@H](Cn3cncn3)C2)c1C 75133040 LAJODPHXDXBGHP-CQSZACIVSA-N 317.393 1.200 0 40 DDAB C[C@@H](COc1ccccc1F)NC(=O)NCC[S@](C)=O 95398064 IXDBXUVCHSZIKL-WVDJIFEKSA-N 302.371 1.271 0 40 DDAB CC[C@@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H]1N1CCOCC1 84736006 BLMHUAJYNQBASV-CJNGLKHVSA-N 319.405 1.273 0 40 DDAB C[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(C)(C)CN(C)C 95437013 DWTSFPYWVSQULI-JSGCOSHPSA-N 324.469 1.415 0 40 DDAB Cc1csc(CCCNC(=O)Nc2nccn(C)c2=O)n1 95466901 NZBDOIULJOHFOS-UHFFFAOYSA-N 307.379 1.300 0 40 DDAB CC(=O)N[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 22685233 CYZUBPGVFKPASD-CJNGLKHVSA-N 303.406 1.464 0 40 DDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)cc1 30848372 ZHBOFRUIUCTFLN-CQSZACIVSA-N 320.389 1.429 0 40 DDAB Cn1cc(CN2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@@H]3C2)cn1 306128947 HOZAMRQCIZVJAQ-JKSUJKDBSA-N 320.400 1.908 0 40 DDAB CCOC(=O)N(C)CCOC(=O)c1c(C)nn2cccnc12 78985870 RBKVMYWEFPIAHU-UHFFFAOYSA-N 306.322 1.283 0 40 DDAB CCCOc1ccc(C(=O)NCCCN2CCOCC2)cc1 38302537 BAPFNHOMIBOJPU-UHFFFAOYSA-N 306.406 1.928 0 40 DDAB O=C(O)CN1CCCC[C@H]1CNC(=O)OCc1ccccc1 79413606 UBUQUWJIAVSALY-AWEZNQCLSA-N 306.362 1.852 0 40 DDAB CNc1ccc([C@H]2CN(C(=O)c3cscn3)CCO2)nc1 72388090 SSCMLCWXUJYCNX-CYBMUJFWSA-N 304.375 1.794 0 40 DDAB CC(C)[C@H](NC(=O)N1CCSCC1)c1nnc2n1CCC2 78663633 QEUWBXDZHPPTLW-LBPRGKRZSA-N 309.439 1.680 0 40 DDAB O=C(NCC[C@@H](O)c1ccco1)[C@@H]1COc2ccccc2O1 77110970 BRTYRKAZNMYKLG-ABAIWWIYSA-N 303.314 1.659 0 40 DDAB O=C(Cn1cc(Cl)cn1)N1CCN(c2cncc(F)c2)CC1 563385755 DEOMAIGSEJVNHL-UHFFFAOYSA-N 323.759 1.419 0 40 DDAB CC(C)(CO)[C@H](NC(=O)c1cnc(OCC2CC2)cn1)C1CC1 563403019 HXKDWPFARCKBIY-OAHLLOKOSA-N 319.405 1.792 0 40 DDAB Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72385336 ZCWYXCDBBSLRGV-GFCCVEGCSA-N 312.439 1.052 0 40 DDAB Cc1cc(N2CCOCC2)nc2sc3c(NN)ncnc3c12 71281397 GLVMBWZCYPSQSE-UHFFFAOYSA-N 316.390 1.670 0 40 DDAB O=C([C@H]1CN(c2cccc(Cl)c2)CCO1)N1CCC(O)CC1 72366444 IDKFKHWBWKUDRJ-OAHLLOKOSA-N 324.808 1.529 0 40 DDAB CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(=O)[nH]n1 184129778 IOJSICQCRKRNSZ-ZDUSSCGKSA-N 312.373 1.511 0 40 DDAB C[C@@H](CCS(C)(=O)=O)Nc1cc(N2CCCCC2)ncn1 132198310 UDXJSTOLYLJYTJ-LBPRGKRZSA-N 312.439 1.702 0 40 DDAB NC(=O)c1ccsc1NC(=O)CCSc1nncs1 48399510 HRRWCNAMYPKZNL-UHFFFAOYSA-N 314.417 1.819 0 40 DDAB C[C@H]1CCC[C@H](C)N1C(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O 195530246 BQSMUFXGLRLKIO-IGQOVBAYSA-N 318.483 1.529 0 40 DDAB O=C(NCCCc1cnc2ncnn2c1)c1cc(C2CC2)on1 225643020 FLQCGYUZDDYNEM-UHFFFAOYSA-N 312.333 1.352 0 40 DDAB Cc1noc(C2CCN(C(=O)NCCc3cnn(C)c3)CC2)n1 140720471 BVYAUSARSUWEMO-UHFFFAOYSA-N 318.381 1.243 0 40 DDAB Cc1cnn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 195542641 RBCNAKZOTNVHOX-AWEZNQCLSA-N 301.346 1.394 0 40 DDAB CCOC[C@@H]1CN(CCN2CCCCC2)Cc2cnn(C)c21 96044714 YBWASGZZUDAHDT-INIZCTEOSA-N 306.454 1.842 0 40 DDAB COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)C1 96419278 KACHNQXAZBXJQJ-DJIMGWMZSA-N 302.418 1.935 0 40 DDAB COc1cc(N2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)ncn1 96161581 JSBHWTSVEGKVBI-OKILXGFUSA-N 311.389 1.448 0 40 DDAB COc1cccc(CC(=O)N2CCOC[C@]3(CCN(C)C3)C2)c1 96201952 XQENNXHRQSYJLX-SFHVURJKSA-N 318.417 1.418 0 40 DDAB CC(C)C(=O)N1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 96075070 SIPCOTWHZCHONC-YJBOKZPZSA-N 315.417 1.935 0 40 DDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(C2CC2)[nH]n1 96454586 FVOULPGUXNAWMH-UHFFFAOYSA-N 316.405 1.856 0 40 DDAB COC(=O)CN1CCCN(c2nc3ccccc3s2)CC1 95356517 JMUMZPWRBBCZED-UHFFFAOYSA-N 305.403 1.981 0 40 DDAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cn2cnnn2)o1 96433239 OONTXXKNYJQJFT-DGCLKSJQSA-N 303.366 1.828 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cccnc2)Cc2cnn(C)c21 96060082 ZXVCBZJDUOSMEQ-AWEZNQCLSA-N 300.362 1.591 0 40 DDAB O=S(=O)(C1CCOCC1)N1CC[C@H](CN2CCCCC2)C1 96428575 PMRFKBDAXNLJIG-CQSZACIVSA-N 316.467 1.303 0 40 DDAB CCNCC1CCN(S(=O)(=O)c2cc(C)oc2C)CC1 97234977 ZQHNHOHHYHVZJM-UHFFFAOYSA-N 300.424 1.907 0 40 DDAB Cn1nnnc1COc1ccccc1C(=O)NCc1ccccc1 96192468 UVJCVMHFMJCEGN-UHFFFAOYSA-N 323.356 1.719 0 40 DDAB c1csc(CN2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)n1 96185043 MIWLFQLWOSQHRA-ZNMIVQPWSA-N 324.446 1.786 0 40 DDAB CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3ccccn3)C2)C1 96226391 JNIAWHLRZBLMEG-QGZVFWFLSA-N 318.421 1.871 0 40 DDAB COCCN1C(=O)CCC12CCC(NCc1cnn(C)c1)CC2 96228547 LSZHHCRGJKRHTP-UHFFFAOYSA-N 320.437 1.460 0 40 DDAB CO[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)(C)C 96443817 YESLBHZIZPQELJ-KBPBESRZSA-N 310.438 1.812 0 40 DDAB Cc1cnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 96249190 YCOXNXZMSRERQQ-HZPDHXFCSA-N 312.421 1.477 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCc2cccc(C)c2)c1 339588957 MJEKUMQTPMXTSD-UHFFFAOYSA-N 312.369 1.936 0 40 DDAB O=C([C@H]1CCCO1)N1CCC[C@@]2(COCCN(CC3CC3)C2)C1 96228796 YKISACPCJDJMTE-AEFFLSMTSA-N 322.449 1.516 0 40 DDAB COC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCC3)CCO1 96439086 HLMAAQVYQNJTLW-INIZCTEOSA-N 304.390 1.732 0 40 DDAB c1cncc(N2CCOCC3(CCN([C@H]4CCOC4)CC3)C2)c1 96239972 AYZQYSRWEYAURM-KRWDZBQOSA-N 317.433 1.789 0 40 DDAB COCCNC(=O)[C@@]1(CCCc2cnccn2)CCCN1C 257233507 GPOSAUGMJHNNSU-MRXNPFEDSA-N 306.410 1.026 0 40 DDAB CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 257201892 AJNNOJGANWVFAM-NCOADZHNSA-N 322.380 1.307 0 40 DDAB Cc1cc(N)nc([C@]2(C)CCCN2C(=O)c2cnc(C)nc2)n1 257270910 MWDNGYQSNDWUSG-INIZCTEOSA-N 312.377 1.617 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)c2ccc(C)nc2O)n1 257251211 JPWJIFLVVYKTMD-CYBMUJFWSA-N 313.361 1.905 0 40 DDAB COc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257212042 CBRQTBSKHDMNCM-LLVKDONJSA-N 314.345 1.606 0 40 DDAB O=C(O)CN(C1CCC1)S(=O)(=O)c1cccc2cnccc12 653496531 VUXFHCVWTDHFEA-UHFFFAOYSA-N 320.370 1.863 0 40 DDAB C[C@H](C(=O)Nc1ccc2c[nH]nc2c1)n1nc2c(cc1=O)CCC2 575621489 XJZHCVAEGAUIAN-SNVBAGLBSA-N 323.356 1.808 0 40 DDAB Cc1nc(N2CCN(c3ncccn3)CC2)cc(C(F)(F)F)n1 575617622 VOWLUQAXIIOTAE-UHFFFAOYSA-N 324.310 1.920 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406499 XZOBRPBYNDOYAE-MCIONIFRSA-N 302.374 1.876 0 40 DDAB CO[C@H]1CN(Cc2ccnc(C)n2)C[C@@H]1CC(=O)N1CCCC1 585277442 WTAOJZFLZQLALS-HOCLYGCPSA-N 318.421 1.244 0 40 DDAB O=C(c1cocn1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288382 YMGDSFIRJUJNJM-YSVLISHTSA-N 314.341 1.434 0 40 DDAB c1cnn(C[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)c1 69418033 PNACSBAXHYSTCM-SFHVURJKSA-N 323.400 1.970 0 40 DDAB CN(C1CCOCC1)S(=O)(=O)c1cc(F)c(F)c(F)c1 72720543 FYFUNZAYQWYOSU-UHFFFAOYSA-N 309.309 1.903 0 40 DDAB CCC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 44875026 AYULGFBOZJPZKE-CYBMUJFWSA-N 301.346 1.194 0 40 DDAB Cc1ccc(C[S@@](=O)CC(=O)N[C@H](C)C(=O)N(C)C)cc1C 89643209 BDAAJFZSYQNYAQ-DMZKTXOQSA-N 324.446 1.145 0 40 DDAB CC(C)(O)CSCCNC(=O)Cc1cn2ccsc2n1 89761836 MEWBBABKJCBXIM-UHFFFAOYSA-N 313.448 1.559 0 40 DDAB O=C(NCc1ccc(F)cc1)NC[C@H]1CN2CCC[C@H]2CO1 106167240 OAVLVSJLTHYYKR-GJZGRUSLSA-N 307.369 1.488 0 40 DDAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)[C@H]2CCOC2)C1 108106770 HPSKVRUQRCWZDL-CRWXNKLISA-N 304.456 1.061 0 40 DDAB CCN1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 43303940 FNNGTHKJYARVKK-OAHLLOKOSA-N 301.434 1.597 0 40 DDAB Cc1ccccc1OC[C@]1(O)CCN(Cc2cncn2C)C1 643914914 ZDLNJRMFZKIBIO-KRWDZBQOSA-N 301.390 1.744 0 40 DDAB O=C1[C@@H]2CN(c3ccncn3)C[C@H]2C(=O)N1Cc1ccccc1 1888849705 PXCAKXBJUUIQLF-ZIAGYGMSSA-N 308.341 1.098 0 40 DDAB Fc1ccc(N2CCN(Cc3nnc4n3CCC4)CC2)cc1 1888863707 YOWHLGHYHDSRBI-UHFFFAOYSA-N 301.369 1.686 0 40 DDAB Cc1ccc(OC[C@@H]2CCN(c3ncnc4[nH]cnc34)C2)nn1 1888876171 YAPTVCMOJFWTAQ-LLVKDONJSA-N 311.349 1.357 0 40 DDAB O=S(=O)(NC1CCN(c2nc3ccccc3o2)CC1)C1CC1 1888881894 HUDSODKZSPJDFB-UHFFFAOYSA-N 321.402 1.878 0 40 DDAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ncon3)C2)cc1 238892787 QTVBIPLBRXYCAL-JTQLQIEISA-N 309.347 1.256 0 40 DDAB COCc1nsc(N2CC[C@@H](Oc3ncc(OC)cn3)C2)n1 2087131101 CSUOLIHTLMNJHZ-SECBINFHSA-N 323.378 1.141 0 40 DDAB O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 20462442 KKOVEKOYDFHKKJ-MJBXVCDLSA-N 317.341 1.563 0 40 DDAB Cn1c(=O)c2c(S)nc(-c3cccs3)nc2n(C)c1=O 100871629 BLEIJMNHVHTPHL-UHFFFAOYSA-N 306.372 1.044 0 40 DDAB CN(C)c1ccnc(N2CCC[C@@H](COc3cnccn3)C2)n1 2298183978 VMKVOYKDACOSAN-CYBMUJFWSA-N 314.393 1.628 0 40 DDAB Cc1nnc(N2CCC(Oc3ccn4nccc4n3)CC2)s1 2298210814 IQQDZBCFAIAVLV-UHFFFAOYSA-N 316.390 1.937 0 40 DDAB COc1ncccc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 40059494 VJVGZBYSGXNBQR-AWEZNQCLSA-N 321.421 1.567 0 40 DDAB CC(C)CNC(=O)CNC(=O)Nc1ccc(-n2cccn2)nc1 50056059 KTZGKTSZHYLCNC-UHFFFAOYSA-N 316.365 1.161 0 40 DDAB O=C(Cn1ccc2c(Br)cccc21)NCCCO 40286212 XXAQQOLMJYKBJE-UHFFFAOYSA-N 311.179 1.902 0 40 DDAB O=C1CCCCCN1CCCn1c(=O)[nH]c2ccccc2c1=O 40489989 KLKZTCIGLVWOMQ-UHFFFAOYSA-N 315.373 1.483 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 40542752 VNRCJAZYYKPJLL-SECBINFHSA-N 320.798 1.334 0 40 DDAB O=C(NCCO)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 20727290 NQEHIGCKBMRKQO-SECBINFHSA-N 316.279 1.167 0 40 DDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(Cl)s2)CC1 32796890 VCQOYRMDECOSEX-UHFFFAOYSA-N 322.839 1.509 0 40 DDAB Cc1occc1C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 102306921 FOVQMZQHADEOLQ-UKJIMTQDSA-N 300.314 1.430 0 40 DDAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2COCCO2)cc1OC 32936617 RCSQNDREUXCPJN-XJKSGUPXSA-N 321.373 1.783 0 40 DDAB C[C@H]1CN(C(=O)Cn2cnc3ccsc3c2=O)C[C@H](C)O1 22186826 WAVFANUPGIWQIW-UWVGGRQHSA-N 307.375 1.094 0 40 DDAB CCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1 42477529 MAGTZWJRRBJLLU-UHFFFAOYSA-N 306.391 1.341 0 40 DDAB C[C@H]1c2ccsc2CCN1Cc1nc2c(cnn2C)c(=O)[nH]1 54417884 KENVPJQDHUOVIF-VIFPVBQESA-N 315.402 1.837 0 40 DDAB C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 42865922 RAOHASKVHPCEAS-GWCFXTLKSA-N 303.362 1.720 0 40 DDAB CN1CCN(Cn2ncn(C)c2=S)[C@H](c2ccccc2)C1 106116202 YPBUSYXQEMRTJV-AWEZNQCLSA-N 303.435 1.897 0 40 DDAB Cc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c(C)s1 24778465 IBLSNXBPVDKOEE-UHFFFAOYSA-N 316.448 1.472 0 40 DDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccc(F)cc1F 25064185 JIJRJWSTGZWYEC-VIFPVBQESA-N 311.332 1.773 0 40 DDAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](C)O)CC1 106842764 MWUPHWSHXAWKJW-CWRNSKLLSA-N 318.417 1.324 0 40 DDAB C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccccn1 26183930 PXSZPFWGWIXZTO-CYBMUJFWSA-N 312.377 1.464 0 40 DDAB COCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CN(C(C)C)C[C@@H]1C 108116497 ATOSQAMYQAFERW-MELADBBJSA-N 307.442 1.578 0 40 DDAB CC(C)N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)CC1=O 8273328 PTUKZPJKVHAXMR-GFCCVEGCSA-N 304.346 1.288 0 40 DDAB O=C(NC1CC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 12599067 LIXCNHVUDFLTTN-ZDUSSCGKSA-N 324.402 1.036 0 40 DDAB CN(C)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1Cl 8939918 NKCIPZOYHNWHBE-LBPRGKRZSA-N 317.784 1.888 0 40 DDAB O=C1[C@H]2[C@@H]([C@@H]3CO[C@@H]1O3)[C@H]2C(=O)c1ccc(Br)cc1 101064441 PGHKUIMAONOIHP-GRZGAGJTSA-N 323.142 1.818 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cccn1 44890688 OHIGGHSRHHDOCU-ZDUSSCGKSA-N 301.346 1.572 0 40 DDAB O=S(=O)(NC[C@@H]1CCN(C2CC2)C1)c1ccc2c(c1)CCO2 44935877 XKOKOYRVODOZLK-LBPRGKRZSA-N 322.430 1.384 0 40 DDAB CS(=O)(=O)N1CCO[C@H]2CCN(C[C@H]3CC=CCC3)C[C@@H]21 108526839 AQIFIFHENHMZBS-KKUMJFAQSA-N 314.451 1.077 0 40 DDAB Cn1cc(CNC(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cn1 110661541 UFIVOAFNBCQCEZ-CWRNSKLLSA-N 317.437 1.436 0 40 DDAB NC(=O)C1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 46305938 YCZDPGLUTLOADW-UHFFFAOYSA-N 311.385 1.744 0 40 DDAB O=C(CSc1n[nH]c(=O)n1C1CC1)N1CCc2ccccc21 2661165 RESHSYGVHSDDMR-UHFFFAOYSA-N 316.386 1.588 0 40 DDAB C[C@H]1C[C@@H]1N1C[C@@H](NC(=O)COc2ccccc2F)CC1=O 110631725 KRAQTSQHVKGKBO-GVXVVHGQSA-N 306.337 1.330 0 40 DDAB NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1 3399338 ZJZDTTYMNNJQDL-UHFFFAOYSA-N 315.325 1.673 0 40 DDAB O=C(NCc1nnc2n1CCC2)NC[C@@H]1Cc2ccccc2O1 48372957 LKOSUJPWLKXDAP-LBPRGKRZSA-N 313.361 1.027 0 40 DDAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)c3ccco3)C(=O)[C@H]21 13139259 XMLLJWLJLCSFBK-RDBQEKCUSA-N 314.341 1.902 0 40 DDAB Cc1[nH]ncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 72281045 NVFXBKXTKKERBP-HNNXBMFYSA-N 312.373 1.338 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(OCC2CC2)nc1 72296336 VZFDJBCILIEVLI-AWEZNQCLSA-N 312.373 1.812 0 40 DDAB Cc1cc(C)n(CCCN(C)C(=O)c2cnn3ccn(C)c23)n1 65404173 FYEXNKKGJYIRII-UHFFFAOYSA-N 314.393 1.648 0 40 DDAB C[C@@H]1CN(CCNCc2c[nH]nc2-c2cccnc2)C[C@@H](C)O1 65473311 JAFLZPDOQFYJKL-ZIAGYGMSSA-N 315.421 1.671 0 40 DDAB O=C(Cc1noc(CC2(O)CCCC2)n1)NCc1ccccc1 97138570 YRMXOIZDWOZMPW-UHFFFAOYSA-N 315.373 1.776 0 40 DDAB Cc1csc(=O)n1CCCC(=O)Nc1ccc(C(N)=O)cc1 14198938 BANGLFIYYGTQKC-UHFFFAOYSA-N 319.386 1.736 0 40 DDAB C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccs2)C1 14235967 PNXIFHOYNBKSNF-LLVKDONJSA-N 316.448 1.627 0 40 DDAB COC[C@H](C)NC(=O)CNC(=O)c1ccc2ccccc2c1 14237550 SGFMOSNPRZVOAR-LBPRGKRZSA-N 300.358 1.721 0 40 DDAB NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1Cl 7098342 XATPCRMVGSJOON-GFCCVEGCSA-N 324.764 1.363 0 40 DDAB COC(=O)[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)nc1 96403512 ZQVMRRMAJYMVJC-LBPRGKRZSA-N 305.378 1.609 0 40 DDAB CCc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 96410736 FCHBHRGTXWSFQW-HNNXBMFYSA-N 303.406 1.644 0 40 DDAB CCOC(=O)c1sc(S(C)(=O)=O)nc1C(F)(F)F 15443622 NWECTZZKNWFTHO-UHFFFAOYSA-N 303.283 1.742 0 40 DDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 7305004 FHVBNNCRHWMDPD-SECBINFHSA-N 302.783 1.226 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCC1=O 71847034 YRXVDXBLCXDGHN-HIFRSBDPSA-N 319.409 1.089 0 40 DDAB C[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)NC1CC1 7621695 DEPZPDUVBGWSSE-SNVBAGLBSA-N 318.329 1.195 0 40 DDAB Cc1ccc(C(=O)N2CCCS(=O)(=O)CC2)cc1Cl 71896568 XVECNMHONRAMCU-UHFFFAOYSA-N 301.795 1.909 0 40 DDAB O=C(CCc1ccsc1)N1CCC[C@H](N2CCNC2=O)C1 71830587 LZHDELCWCKDLOM-ZDUSSCGKSA-N 307.419 1.697 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)OCC(=O)c1c[nH]c2ccccc12 7979847 NSCUVPVRYNPWSP-CQSZACIVSA-N 317.345 1.587 0 40 DDAB CCOc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 7941237 CZTVMPBVXOMWPM-UHFFFAOYSA-N 316.361 1.064 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)c1 70004460 SOGMIIUKQCNXCN-XHSDSOJGSA-N 313.405 1.720 0 40 DDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)nn1 69348523 PYSUNOBLXGNRNI-GFCCVEGCSA-N 300.366 1.216 0 40 DDAB O=C(Cn1cnnn1)NCc1ccnc(OC2CCCCC2)c1 69590334 LKYDEAVMTCUODO-UHFFFAOYSA-N 316.365 1.096 0 40 DDAB Cc1c(C(=O)N2CCn3c(C)nnc3C2)cnn1-c1ccccc1 69810804 AQWUHIPSCSUUJQ-UHFFFAOYSA-N 322.372 1.737 0 40 DDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCc1cccs1 69814120 FEXQQPRNXWBZHD-CYBMUJFWSA-N 319.434 1.368 0 40 DDAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)C1=NNC(=O)CC1 8734277 XYALFRMGYSZJMI-JTQLQIEISA-N 303.318 1.131 0 40 DDAB COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)O)CCN2C2CC2)c1 97047608 MPKMOVVNANYCPP-XFBWCDHKSA-N 304.390 1.470 0 40 DDAB CC(C)(C)c1nc(CNC(=O)N[C@H](CO)c2ccccc2)no1 97048280 APFZACOBSFTRLM-GFCCVEGCSA-N 318.377 1.900 0 40 DDAB O=c1c2ccncc2ncn1C[C@H](O)COCc1cccs1 97080182 BRRCUFPREMILEZ-NSHDSACASA-N 317.370 1.431 0 40 DDAB Cc1c(C(=O)NCCNC(=O)c2ccco2)ccc2cncn12 95465139 SAQIAZSLCFVELZ-UHFFFAOYSA-N 312.329 1.396 0 40 DDAB CN1CCO[C@@H](C(=O)N(Cc2cccnc2)Cc2ccco2)C1 95441440 SPVUJZUOVHKHMV-MRXNPFEDSA-N 315.373 1.534 0 40 DDAB Cc1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)on1 95997947 KURABDZNHFAULB-UHFFFAOYSA-N 309.329 1.939 0 40 DDAB CN(CCc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 85786976 JTAYHVBUHJQWPB-MRXNPFEDSA-N 310.463 1.833 0 40 DDAB CCc1nc(C2(NCCCS(C)(=O)=O)CCCC2)no1 89289988 UYNUTNPLKIMIOY-UHFFFAOYSA-N 301.412 1.426 0 40 DDAB COCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1 89420399 GKYRSEITAYOAOD-NSHDSACASA-N 320.370 1.715 0 40 DDAB CNC(=O)NCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 89572400 JVMNIEGNXIYPNJ-JTQLQIEISA-N 307.247 1.474 0 40 DDAB Cc1cc(C)c(CNC(=O)c2cnn(C(C)(C)C)c2)c(=O)[nH]1 75118754 OIJZQUUZFAGNIG-UHFFFAOYSA-N 302.378 1.873 0 40 DDAB O=C(Nc1ccccc1F)C(=O)N[C@H]1CCN(C2CCCC2)C1 75134246 GKVFIZCPJIQGAG-LBPRGKRZSA-N 319.380 1.897 0 40 DDAB CCCO[C@@H]1CCCN([C@H](C)C(=O)NC[C@@H]2CCCO2)CC1 110595277 HTHVUGIRNLHBHC-OAGGEKHMSA-N 312.454 1.951 0 40 DDAB CC[C@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 70006355 QGFDUCFUXOZUKA-HNNXBMFYSA-N 310.825 1.798 0 40 DDAB CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 408707186 HXHLGALLANYEJX-CQSZACIVSA-N 304.390 1.958 0 40 DDAB CCOC(=O)[C@](NC(=O)CC(C)C)(NC(C)C)C(F)(F)F 31871530 LVHYAIKTLQVAIW-GFCCVEGCSA-N 312.332 1.968 0 40 DDAB O=C1c2cnc(N3CCC(O)CC3)nc2CN1c1ccccc1 72260014 WYHIXUXCQVJRTK-UHFFFAOYSA-N 310.357 1.598 0 40 DDAB Cc1ccccc1CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C 32508735 IBLOHHDCRAWTHF-CHWSQXEVSA-N 310.444 1.695 0 40 DDAB COCCN(Cc1cc(Cl)nc(Cl)c1)[C@H](C)C(N)=O 75717690 VVNQRBKJVGOUGU-MRVPVSSYSA-N 306.193 1.711 0 40 DDAB CN(CC(=O)O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 79390899 BZPVAHYLEXALRU-CQSZACIVSA-N 306.362 1.662 0 40 DDAB CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Sc1ncccn1 79044008 ZEYPOCBRTPPYPW-MNOVXSKESA-N 310.423 1.234 0 40 DDAB O=S1(=O)C[C@@H](O)[C@H](NC(c2ccccc2)c2ccccc2)C1 315062902 HLCRVCWRHVDLJR-HZPDHXFCSA-N 317.410 1.524 0 40 DDAB O=S(=O)(c1ccc(F)cc1Cl)N1CCCn2ncnc21 78556758 YQSAVRIIOWOLMO-UHFFFAOYSA-N 316.745 1.670 0 40 DDAB COCCn1cnnc1C1CCN(C(=O)c2cscn2)CC1 72364194 QJJSWBDZZYYHRJ-UHFFFAOYSA-N 321.406 1.401 0 40 DDAB Cc1nc(-c2cccc(NC(=O)C(=O)NCCC(C)C)c2)n[nH]1 77678904 PTLLIENATNKXLY-UHFFFAOYSA-N 315.377 1.881 0 40 DDAB CCn1nc(C)cc1C(=O)OC[C@@H]1CN(CC(C)C)CCO1 77957708 ZPELZPQECHJNPS-AWEZNQCLSA-N 309.410 1.725 0 40 DDAB CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H](CO)C2)cc1 72202891 IJQMEOVWYRVHAF-CQSZACIVSA-N 312.435 1.141 0 40 DDAB Cn1nc(N)c(I)c1COCC(F)F 72339499 OXMZWBOMPXNNFI-UHFFFAOYSA-N 317.077 1.389 0 40 DDAB Cc1cc(C(=O)NCCCN(C)C)nc(N2CCCCC2)n1 72239815 JFXINFGPDZLSFE-UHFFFAOYSA-N 305.426 1.457 0 40 DDAB O=C1COc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2N1 78773297 RDNOLPSHEIXZOA-UHFFFAOYSA-N 323.305 1.352 0 40 DDAB Cn1nc(-c2ccncc2)cc1C(=O)N[C@@]12CCC[C@H]1NCC2 1579989465 SXHNPROKWIPILR-NVXWUHKLSA-N 311.389 1.497 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1cccnc1)O2 40778703 DWXUTSQNICEGHA-KRWDZBQOSA-N 311.341 1.796 0 40 DDAB COc1ccc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)c(C)c1 225786508 LXYOXAPPZJAICV-GFCCVEGCSA-N 313.357 1.374 0 40 DDAB O=C([C@H](O)c1ccccc1)N1CCC[C@H](Oc2cnccn2)C1 225473216 PXPUKYTUTYCUCX-GOEBONIOSA-N 313.357 1.580 0 40 DDAB CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2cnn(C)c21 96198250 QPZHXCGHEXHTSU-CQSZACIVSA-N 314.389 1.520 0 40 DDAB CN(C)c1cnc(C(=O)N[C@H]2CCOc3ccc(F)cc32)cn1 332406352 ZVNHAYQESIFFKV-LBPRGKRZSA-N 316.336 1.935 0 40 DDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1)N1CCCC1 96057602 GFNHUCSDAQMUSF-ARFHVFGLSA-N 304.390 1.881 0 40 DDAB CS(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccncc1 96200333 CSSSYOLWOWYJAU-LSDHHAIUSA-N 310.419 1.453 0 40 DDAB Cn1cc(CN2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)cn1 96187225 FLBBFKMCVKNGMC-BZUAXINKSA-N 318.421 1.068 0 40 DDAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96048583 LQOHZPPQJKHWBY-WMLDXEAASA-N 312.373 1.915 0 40 DDAB COCc1cnc2n1CCN(C(=O)c1ccc(C)nc1)[C@H]2C 96109536 LTYSWKSQXNSXPN-LBPRGKRZSA-N 300.362 1.950 0 40 DDAB O=C(CN1CC[C@@H](CN2CCCCC2)C1)NCc1cccnc1 96441483 UKFQKGHBQUIPJS-KRWDZBQOSA-N 316.449 1.506 0 40 DDAB CN(CC(=O)N1CCNC1=O)Cc1nc2c(s1)CCCC2 96448005 VBAGZLJSIDWMDG-UHFFFAOYSA-N 308.407 1.006 0 40 DDAB COCCN1CC[C@H]2CN(Cc3ccc(OC)cc3)C[C@@H]2C1=O 96054617 OUBYTOIUNBWDEM-RDJZCZTQSA-N 318.417 1.622 0 40 DDAB O=C(NCC/N=C(\O)c1ncccc1O)Nc1ccccc1 95395134 JIUNJEUPGMJSCH-UHFFFAOYSA-N 300.318 1.914 0 40 DDAB CCn1cc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cn1 96101480 QLWNPRXYWYOZSX-NSHDSACASA-N 302.334 1.165 0 40 DDAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@H]2C1 96065459 DGHCOXHKHVCXGV-IHRRRGAJSA-N 323.462 1.956 0 40 DDAB COC(=O)CCCN1CCN(C(=O)Cc2ccccc2F)CC1 96407715 PZYJNUXMJOXEBB-UHFFFAOYSA-N 322.380 1.466 0 40 DDAB CCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(OC)cc1 96183798 ICGROESPIQNEPR-UONOGXRCSA-N 324.402 1.079 0 40 DDAB O=C(c1ccncn1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257240459 HTONQKMQWVBZPL-LBPRGKRZSA-N 308.345 1.768 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)Cc2nonc2C)nc(C)n1 257260501 LDDZAKCOTKHXHX-CYBMUJFWSA-N 316.365 1.424 0 40 DDAB Cc1cc(-c2cccc(C[C@H]3CCN(S(C)(=O)=O)C3)n2)[nH]n1 257315401 VBDMNVPEWIGMRO-GFCCVEGCSA-N 320.418 1.604 0 40 DDAB COc1ncc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cn1 257243514 IHIOYRGXXPGYRS-OAHLLOKOSA-N 313.405 1.981 0 40 DDAB Cc1ocnc1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257251075 JPHNITNDXPKUST-CYBMUJFWSA-N 302.334 1.247 0 40 DDAB Cc1cnc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cn1 257229747 FZIKKKNXWGXWPS-LBPRGKRZSA-N 313.361 1.399 0 40 DDAB CN1CCC(N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)CC1 257204955 AXAPPEGNYJTQHM-IRXDYDNUSA-N 315.417 1.197 0 40 DDAB Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1C(N)=O 262684266 BVDFJIHHQUWSNQ-XYPYZODXSA-N 304.346 1.923 0 40 DDAB CC(C)(C)OC(=O)N1CCC(Cc2cc(C(N)=O)n[nH]2)CC1 390828312 QBRFLAZVJVPSMA-UHFFFAOYSA-N 308.382 1.698 0 40 DDAB COCCN1CC[C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C1=O 585107814 CFXNSSPXENBCIM-ZBFHGGJFSA-N 316.401 1.562 0 40 DDAB Cc1ccc(OC[C@@]2(O)CCN(CC(=O)NC3CCC3)C2)cc1 585275330 AOHQQOXFUAJQRC-GOSISDBHSA-N 318.417 1.479 0 40 DDAB CNC(=O)[C@@H]1CCC[C@@H]1Nc1noc(Cc2ccc(F)cc2)n1 585142308 SQMPXVYNHBNPGV-OLZOCXBDSA-N 318.352 2.126 0 40 DDAB COc1cc2c(cc1OC)CN(CC(=O)NCC1CCC1)CC2 66472311 PHUBZYHNEKEGNT-UHFFFAOYSA-N 318.417 1.978 0 40 DDAB CCc1nc(CN(C)CCN2C(=O)NC(C)(C)C2=O)cs1 71828272 CVKDMWRTPQCMAF-UHFFFAOYSA-N 310.423 1.468 0 40 DDAB O=c1n(C2CC2)nnn1C1CCN(Cc2ccc(F)cc2)CC1 72335774 QTXWXZZREOPPPA-UHFFFAOYSA-N 317.368 1.751 0 40 DDAB CC(C)n1cnnc1CCNC(=O)Nc1nnc(C2CC2)s1 72305798 FLFBOVGIDXWCJE-UHFFFAOYSA-N 321.410 1.952 0 40 DDAB NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCC2)c1 40512380 TVSBEXPVABHOIA-UHFFFAOYSA-N 316.810 1.907 0 40 DDAB CCCNC(=O)CCNC(=O)N1CCN(c2ccccc2)CC1 57296950 CPWUVSNYCOWDDX-UHFFFAOYSA-N 318.421 1.435 0 40 DDAB O=S(=O)(CC1CCOCC1)NCC1(CCO)CCCC1 74974655 SJCYPYCMHMNNDZ-UHFFFAOYSA-N 305.440 1.275 0 40 DDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3cnns3)CCO2)n1 76046232 MMDGYPGPVUNVRZ-MRVPVSSYSA-N 322.394 1.167 0 40 DDAB Cn1cccc1[C@H](O)CNC(=O)C(=O)NCCC1=CCCCC1 77101950 FJRAEBKGIKWAOU-OAHLLOKOSA-N 319.405 1.181 0 40 DDAB O=S(=O)(N[C@H]1CCN(C2CCOCC2)C1)c1cccs1 1250948233 ATIZZJWGEYFAPF-NSHDSACASA-N 316.448 1.280 0 40 DDAB COc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 5245690 LNHPJGDVBVLXHD-UHFFFAOYSA-N 324.340 1.829 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccccc2O)SC1=S 8092021 OYQWGBWDHLQFJF-POHAHGRESA-N 309.368 1.766 0 40 DDAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 205751465 JRINDIINIQWICG-YRNVUSSQSA-N 307.327 1.905 0 40 DDAB COC(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)N(C)C1=S 8371649 OONNXXPVQQHQRT-WQLSENKSSA-N 304.371 1.568 0 40 DDAB Cn1cc(CN2CCOC[C@@](O)(COc3ccccc3)C2)cn1 643914665 VJEWEMATQQWFJG-QGZVFWFLSA-N 317.389 1.062 0 40 DDAB CC(C)CS(=O)(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 253472672 OJTYLBXJLYGNLJ-LBPRGKRZSA-N 315.391 1.067 0 40 DDAB Cn1cc(-c2cncc(C(=O)NCC3CCOCC3)c2)cn1 377590327 IKBXSQMKBFHVRY-UHFFFAOYSA-N 300.362 1.639 0 40 DDAB CCOCCCNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 13076441 NQQZNMCDWNPBSK-UHFFFAOYSA-N 305.327 1.229 0 40 DDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(Cl)c1 5251098 NQPOVCBUDLMXDS-UHFFFAOYSA-N 324.743 1.821 0 40 DDAB O=C(NCc1ccncc1)C(=O)NCc1ccccc1Cl 9858520 RANNSNWPCNYXOG-UHFFFAOYSA-N 303.749 1.668 0 40 DDAB COc1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C 10088968 JFDVJSGDZVMZPT-LBPRGKRZSA-N 324.402 1.869 0 40 DDAB COc1cccc(C(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)c1 217781361 SIHNNCFESIVICD-LLVKDONJSA-N 320.370 1.605 0 40 DDAB O=C(c1cccc2ccccc12)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585387184 OTHWXRDSKJTOEB-HZPDHXFCSA-N 320.348 1.669 0 40 DDAB Cc1cc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)no1 81254326 HIRRENUPJDOHRK-LBPRGKRZSA-N 303.318 1.161 0 40 DDAB CCc1nc(C)c(C(=O)NCCNC(=O)c2ccoc2)s1 50341654 CKCAKVSGIPDKRJ-UHFFFAOYSA-N 307.375 1.767 0 40 DDAB O=C1CN(Cc2csc(COc3ccc(F)cc3)n2)CCN1 40468335 MIOFTBBMVIBOSP-UHFFFAOYSA-N 321.377 1.793 0 40 DDAB CCCCc1noc(CN2CCN(C[C@H]3CCCO3)CC2)n1 40489756 KEKLDAURYSCRIX-CQSZACIVSA-N 308.426 1.709 0 40 DDAB CC(C)(C)c1noc(CN2C(=O)N[C@@]3(CCSC3)C2=O)n1 31647249 FCGQXMJZYYVQFQ-CYBMUJFWSA-N 310.379 1.295 0 40 DDAB Cc1cc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)n(C)n1 40512286 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40 DDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 1575978 RSSOZTMMMIWOJB-YPMHNXCESA-N 320.345 1.377 0 40 DDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NC1CCCC1 2617095 ICJYPMHBRLTLDD-CQSZACIVSA-N 305.330 1.428 0 40 DDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NOCc1ccccc1 25283003 LUCPJZNTDFUTBS-KBPBESRZSA-N 314.341 1.186 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](NCCCO)C(=O)O 4280158 JZZJFDBFLLQENX-GFCCVEGCSA-N 314.769 1.402 0 40 DDAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C)C(=O)N2CCCC2)cn1 107322508 IIZNWQKOZLYTRN-IIAWOOMASA-N 320.437 1.581 0 40 DDAB CCOCCCNC(=O)Nc1ccccc1CC(=O)N(C)C 56545332 PSQRUVYLGRLLFE-UHFFFAOYSA-N 307.394 1.865 0 40 DDAB CCSCc1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1 56749075 HZTSYDBUNHWTMC-UHFFFAOYSA-N 318.402 1.874 0 40 DDAB Cc1nccn1-c1ncccc1NC(=O)C1=NN(C)C(=O)CC1 57222244 HAQLPSQCYPOLRV-UHFFFAOYSA-N 312.333 1.122 0 40 DDAB O=C(NCCCn1nc2ccccn2c1=O)OCC(F)(F)F 58065748 XUHWGOOVJFWEAN-UHFFFAOYSA-N 318.255 1.175 0 40 DDAB Cn1c(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(=O)n(C)c1=O 27526327 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CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCCc2ccccc21 29258643 JSOWURMCECNLSA-AWEZNQCLSA-N 313.357 1.073 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)c1ccncn1)CC2 108534605 JVIZGELNPFMLMX-UHFFFAOYSA-N 302.378 1.341 0 40 DDAB CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 55911614 SGTZFOVUVMVUJS-AWEZNQCLSA-N 310.438 1.907 0 40 DDAB CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)n[nH]1 21096424 UYIANZVIAAIHEF-UHFFFAOYSA-N 313.310 1.526 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc3c2CCCC3)C1 8996692 WECQPYGUVJCZFA-LLVKDONJSA-N 305.378 1.704 0 40 DDAB COC(=O)CNC(=O)c1cccc(NC(=O)c2cccs2)c1 12980018 UEBFFDXGTJRCSV-UHFFFAOYSA-N 318.354 1.903 0 40 DDAB CCOC(=O)C(NC(=O)c1cc(C)cc(C)c1)C(=O)OCC 12914339 FKRJNTSNRJWOOC-UHFFFAOYSA-N 307.346 1.528 0 40 DDAB O=C(NCCNC(=O)c1ccccc1Cl)c1cnccn1 13568298 KZQPIXZGOSLUDM-UHFFFAOYSA-N 304.737 1.290 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 65434921 LHQHXUNRXQDSNS-UHFFFAOYSA-N 319.365 1.108 0 40 DDAB CC1CCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)CC1 65539349 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CCOC(=O)c1c(C)[nH]c(C(=O)NCC(=O)NC(C)C)c1C 8750408 RPCACCNZIJQSEB-UHFFFAOYSA-N 309.366 1.063 0 40 DDAB CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 8735392 RCXPAIQUBKQSBQ-QGZVFWFLSA-N 317.389 1.713 0 40 DDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)CO)C2)cc1 84148618 YFTYAOLZRISNGR-GDBMZVCRSA-N 318.417 1.592 0 40 DDAB Cc1cc(C(=O)NCCOC(N)=O)ccc1Br 97085109 VOFZNVCBIKHIAC-UHFFFAOYSA-N 301.140 1.583 0 40 DDAB C[C@@H]1CCC[C@H](Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H]1C 97080748 FPYFQJXSAXBWND-FMKPAKJESA-N 320.437 1.979 0 40 DDAB Cc1ccccc1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 73453629 RTYKBGXJUVJPIZ-UHFFFAOYSA-N 324.384 1.904 0 40 DDAB O=C(CCCc1ccccn1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269915 YRLMYZCLKYHLIV-IAGOWNOFSA-N 317.433 1.462 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)no1 72280240 SDCZLYUDIGGMJF-NSHDSACASA-N 304.354 1.494 0 40 DDAB CCNC(=O)N1CCc2ccc(NC(=O)Cn3cccn3)cc21 72296702 CLIGCYPHOFCIHG-UHFFFAOYSA-N 313.361 1.614 0 40 DDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)c3ccsc3)CCO2)n1 72299544 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CCCN1CCCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)CC1 75091882 DAWKZJCTOCMENK-UHFFFAOYSA-N 314.455 1.640 0 40 DDAB Cc1c(CC(=O)N2CCN(C)C[C@@H]2C)nnn1-c1ccccc1 89556378 FIVDTGKZRDLPSJ-ZDUSSCGKSA-N 313.405 1.281 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)OCC(=O)NC2CCCCC2)cn1 75136801 ORPHGXGVWVXVMH-ZIAGYGMSSA-N 305.378 1.516 0 40 DDAB O=C(NC1CC1)C1(C(=O)N2CC[C@@H](CN3CCCC3)C2)CCC1 89819093 JFMPKGOZTMIALN-AWEZNQCLSA-N 319.449 1.380 0 40 DDAB Cc1c(NC(=O)CSc2nnc(N)s2)cccc1C(=O)O 67197409 XWQWCYNNBIBLEC-UHFFFAOYSA-N 324.387 1.858 0 40 DDAB Cn1nnnc1SCC(=O)OCc1cc(-c2ccco2)on1 38767607 GSCFXNJZGKVMPT-UHFFFAOYSA-N 321.318 1.294 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1CCCN(c2cnccn2)C1 32801625 XLOJWGVWSFFAIW-BFHYXJOUSA-N 304.394 1.329 0 40 DDAB Cc1sc(-n2cnnn2)c(C(=O)NCC2CCOCC2)c1C 524732818 PZIWKFMPMMLRKN-UHFFFAOYSA-N 321.406 1.497 0 40 DDAB C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccc(O)nn2)C1 528793033 WPKDFMLBEHLDHL-TZMCWYRMSA-N 304.394 1.578 0 40 DDAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3CCO)n2)n1 72383049 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257233715 GQJZRSNTQFAFDU-INIZCTEOSA-N 313.405 1.596 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2CCc2ccncc2)c1 257212488 CDRHTIREPYAJKR-CQSZACIVSA-N 320.418 1.601 0 40 DDAB Cc1nc(NC[C@@H]2CCCOC2)sc1S(=O)(=O)N(C)C 255188261 JCYKTYMVEYSPLU-JTQLQIEISA-N 319.452 1.540 0 40 DDAB O=C(c1cnn(-c2ccccc2)n1)N1CCc2ncncc2C1 96122799 KBPDBPMAXKBTSO-UHFFFAOYSA-N 306.329 1.256 0 40 DDAB O=C(O)CCC(=O)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 585269425 TUAUFRIXIGZRDJ-TZMCWYRMSA-N 309.337 1.442 0 40 DDAB CC[C@@H](C)N1C[C@@]2(CCCN(Cc3cc(C)nn3C)C2)C1=O 585099360 HQARRUHJDWPTNF-PBHICJAKSA-N 304.438 1.951 0 40 DDAB O=C(NCC(=O)N1CCn2c1nc1ccccc12)c1ccco1 29376537 PKECGEKUTVPNBT-UHFFFAOYSA-N 310.313 1.406 0 40 DDAB CS(=O)(=O)c1ccc(OCCNC(=O)c2cccnc2)cc1 69842137 BTVJPOLVROXQEX-UHFFFAOYSA-N 320.370 1.294 0 40 DDAB CCc1cc(NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)n2ncnc2n1 51903403 BAZFZBOWJZIIKA-RWMBFGLXSA-N 318.425 1.596 0 40 DDAB CCN1CCO[C@@H](CNCc2cc3c(cc2OC)C[C@H](C)O3)C1 75133617 UCUGCTTVXFMABX-BBRMVZONSA-N 320.433 1.829 0 40 DDAB 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1.444 0 40 DDAB O=C(N1CC(Cn2cncn2)C1)C12CC3CC(CC(C3)C1)C2 827676939 PUBITCYMZZYZJN-UHFFFAOYSA-N 300.406 1.953 0 40 DDAB O=C([C@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCCCC1 1888834264 NMANTXOQMXRPPN-OAHLLOKOSA-N 316.405 1.572 0 40 DDAB CCN(CC)Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1 17283534 VEYDVJMCRWQWLH-UHFFFAOYSA-N 309.391 1.921 0 40 DDAB C[C@@H]1CN(C(=O)c2cccc(CS(C)(=O)=O)c2)C[C@@H](C)O1 17326724 YEKROUYRYIFRRS-VXGBXAGGSA-N 311.403 1.481 0 40 DDAB NC(=O)c1cccc(CNC(=O)COc2ccc3c(c2)CCC3)c1 25332622 CRIBDBKUBNVNTL-UHFFFAOYSA-N 324.380 1.969 0 40 DDAB CN1C(=O)COc2ccccc2CCCCO[C@H]2CNC[C@@H]21 2037981017 QQGLYSXNYGFMNR-HOCLYGCPSA-N 304.390 1.217 0 40 DDAB COCCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 4192614 IXJSXGYXAHKOIX-LLVKDONJSA-N 300.742 1.358 0 40 DDAB COc1nn(C)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 8842368 OZRJYYAKMRLWIO-UHFFFAOYSA-N 318.352 1.530 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(OC)cc1 10255912 ZTTQGRHFWHHKNS-KRWDZBQOSA-N 324.380 1.942 0 40 DDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCC3)cnc21 10250750 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300.430 1.475 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccccc1 25418008 FEYRSJJGGWLLHG-CYBMUJFWSA-N 303.406 1.231 0 40 DDAB CC(=O)N1CCN([C@H]2CN(Cc3csc(C)n3)C[C@H]2C)CC1 107141912 DKQQVUJYQDEYFU-WBMJQRKESA-N 322.478 1.436 0 40 DDAB O=C(CN1CCOCC1)NCCc1ccc(Cl)cc1Cl 25638301 JNRZWGMMXUNENS-UHFFFAOYSA-N 317.216 1.984 0 40 DDAB CNC(=O)c1ccc(CN(CCC(=O)N(C)C)C2CC2)cc1 25947779 DOFSGCLYGZFELP-UHFFFAOYSA-N 303.406 1.489 0 40 DDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C 6680189 BFRRKXCMNBBKQY-UHFFFAOYSA-N 315.376 1.513 0 40 DDAB COc1ccc(OC)c(CN2CCOC[C@@H]2c2noc(C)n2)c1 95999949 OBHKCKYGTXAMSD-CQSZACIVSA-N 319.361 1.969 0 40 DDAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(F)nc1 521396237 AGKYCTMPGZVZIR-MDZLAQPJSA-N 321.352 1.958 0 40 DDAB CC1CCN(C(=O)Cn2c(-c3ccccc3)noc2=O)CC1 58192691 VZRQNWWUWHTCBS-UHFFFAOYSA-N 301.346 1.762 0 40 DDAB CN1CCC(NC(=O)c2csc(-c3cnn(C)c3)n2)CC1 44986182 GNPYFGKWMNJFHU-UHFFFAOYSA-N 305.407 1.368 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)Nc2cnn(C)c2)CC1=O 25308279 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313.357 1.065 0 40 DDAB CC(=O)Nc1cccc(NC(=O)CCNC(=O)c2ccco2)c1 9315595 ZWKICAYSEIHLHO-UHFFFAOYSA-N 315.329 1.997 0 40 DDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 9365371 PIZUDYRDCPNSEY-JTQLQIEISA-N 322.308 1.344 0 40 DDAB Cc1nn2c(=O)/c(=C\c3ccc(Cl)cc3)sc2nc1=O 5010179 FLFUGGGLURXNAN-UXBLZVDNSA-N 305.746 1.021 0 40 DDAB CCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988414 NSERNDBMVBTTQJ-ZDUSSCGKSA-N 312.391 1.048 0 40 DDAB Cc1ccc(NC(=O)C[C@@H]2N=C(N3CCOCC3)N=C2O)cc1 13736498 OLRGOJZSHFASLR-ZDUSSCGKSA-N 316.361 1.351 0 40 DDAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccccn1 9421339 AFOBDOMRNRPAHB-VIFPVBQESA-N 314.374 1.545 0 40 DDAB O=C(NCCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccccc1 65586969 JZFDRXZNFWRZTG-MRXNPFEDSA-N 315.417 1.503 0 40 DDAB C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H](c2ccccc2)O1 65515018 USRCAALWEHWWKP-UKRRQHHQSA-N 302.374 1.597 0 40 DDAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)on1 65625122 LNTBMXXQSTXKSU-AWEZNQCLSA-N 313.357 1.603 0 40 DDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)c1 14165670 MYGBTNJWIHMBGZ-UHFFFAOYSA-N 324.446 1.874 0 40 DDAB CCC(Nc1cccc(N)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 4807309 ODAVLGSOHAHKJO-UHFFFAOYSA-N 302.334 1.395 0 40 DDAB O=C([C@H]1C[C@H]1c1ccco1)N1CCC(N2CCNC2=O)CC1 71835023 UEQBGFQKYAJAKB-OLZOCXBDSA-N 303.362 1.399 0 40 DDAB CC[C@@H](c1nnc(SCC(=O)NCC(C)C)o1)N(C)C 6940000 BQVSEEJMWAJJJN-JTQLQIEISA-N 300.428 1.947 0 40 DDAB COCCc1noc(CN[C@H]2CCc3nc(C(C)C)nn3C2)n1 71871860 PNVCFFNLUPFFSK-NSHDSACASA-N 320.397 1.078 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCCC[C@H]1Cn1cccn1 71865169 DLUAZQXBCMKZLQ-AWEZNQCLSA-N 324.388 1.709 0 40 DDAB COc1ccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)cc1 20156393 UCIOBOQFNLLHPK-UHFFFAOYSA-N 306.343 1.839 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC/C=C/c1ccccc1 71902900 PYSUCVRWTJZJRK-JOZWUWCOSA-N 322.430 1.630 0 40 DDAB CN1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)sc2C1 68410323 UNCVEBCEPBHHGF-WDEREUQCSA-N 317.418 1.607 0 40 DDAB CCNS(=O)(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 81076110 PCMSERUEBUMZAQ-NSHDSACASA-N 314.407 1.347 0 40 DDAB COC[C@@H](C)N1C[C@@H](C(=O)N(C)Cc2ccccc2)CC1=O 8234991 DAZBRLUKNPTXJJ-HIFRSBDPSA-N 304.390 1.528 0 40 DDAB CC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 8395246 FWQHKGOFDHYOKC-VPJDZLOFSA-N 310.350 1.008 0 40 DDAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1csnn1 69515716 USURTHRBDXDBOV-LBPRGKRZSA-N 316.386 1.158 0 40 DDAB CC[C@H](C)Nc1nnc(S[C@@H](C)C(=O)NC(=O)NC)s1 9762769 AYMRHFIKZMNZKV-BQBZGAKWSA-N 317.440 1.685 0 40 DDAB CCC[C@H]1C(=O)NCCN1Cc1noc(C2CCOCC2)n1 95946418 PAUWNXJMWCUIBQ-LBPRGKRZSA-N 308.382 1.064 0 40 DDAB Cc1ccc(C(=O)OC2CCN(CC(=O)N(C)C)CC2)cc1 69774211 IJEBPFBPJWCTDU-UHFFFAOYSA-N 304.390 1.704 0 40 DDAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)NCc2ccccn2)c1 69819702 SUXFTNSGLFXONW-KBPBESRZSA-N 301.394 1.442 0 40 DDAB Cn1cc(CN2CCCN(C(=O)Cc3cccs3)CC2)cn1 69818796 CCRCHQIBGHNBLC-UHFFFAOYSA-N 318.446 1.759 0 40 DDAB Cc1nc(CN2CCC[C@@H](NCc3nc(C)c(C)o3)C2)no1 69843232 CFRUXXBQKRJMKW-CYBMUJFWSA-N 305.382 1.737 0 40 DDAB CC(C)NC(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 69922257 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Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nnc[nH]1 75092352 LUOFEFZWRCSVJL-UHFFFAOYSA-N 306.269 1.933 0 40 DDAB CNC(=O)NCC(=O)Nc1ccc2ccn(CCN(C)C)c2c1 89572671 RLXQKGSMVOYHST-UHFFFAOYSA-N 317.393 1.070 0 40 DDAB Cc1ccn(-c2ccc(NCc3c(C)cc(C)[nH]c3=O)nn2)n1 89700750 XQIJDYNQUOHYMP-UHFFFAOYSA-N 310.361 1.888 0 40 DDAB O=C(CCCNC(=O)C1CC1)NC[C@@H]1OCCc2sccc21 89885346 GYGYYOOQRVIRIM-ZDUSSCGKSA-N 322.430 1.785 0 40 DDAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)no1 75573189 JKFOIQAPONJMIK-LBPRGKRZSA-N 318.381 1.504 0 40 DDAB Cn1ccnc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 76084298 KOXIGFJVQIGOMN-OLZOCXBDSA-N 300.362 1.465 0 40 DDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nc(C)no2)C1 547684573 KLGZAONRHXVLKG-CQSZACIVSA-N 321.406 1.380 0 40 DDAB O=C(NS(=O)(=O)c1ccc2nn[nH]c2c1)[C@@H]1CC[C@H]2C[C@H]2C1 408506006 ZOKFFHKHMKHVAG-AEJSXWLSSA-N 320.374 1.199 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306125260 CKSNNDHOBRPRGF-LBPRGKRZSA-N 324.352 1.254 0 40 DDAB O=C(CCn1cnnn1)N1CC=C(c2c[nH]c3ccccc23)CC1 524733277 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Cn1nc2c(cc1=O)C[C@H](C(=O)NCCc1cccs1)CC2 225741604 JQMYCBOYBVEHAZ-LLVKDONJSA-N 317.414 1.306 0 40 DDAB CC1(C)CCN(C(=O)NC[C@@H]2CC=CCC2)CCS1(=O)=O 193572010 COMOCDRXXJFFBM-CYBMUJFWSA-N 314.451 1.951 0 40 DDAB COC[C@H]1c2nnn(C)c2CCN1C(=O)Cc1cccc(F)c1 96045258 GRBSEOMHMAMJFW-AWEZNQCLSA-N 318.352 1.269 0 40 DDAB COC[C@H]1CC2(CCN(C3CCC3)CC2)CN1CC(=O)N(C)C 96206130 KTBIINOFXGHMMU-MRXNPFEDSA-N 323.481 1.430 0 40 DDAB Cc1ccc(CN2CCn3c(nnc3CN3CCCC3=O)C2)o1 96084941 UMQUIJHRZJQILA-UHFFFAOYSA-N 315.377 1.318 0 40 DDAB Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3S(=O)(=O)C3CC3)O2)o1 96040921 MKVHAGISDLDECJ-UTUOFQBUSA-N 313.379 1.165 0 40 DDAB O=C(Cc1ccsc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200457 FYQUSOGPNGYXHU-GJZGRUSLSA-N 302.399 1.890 0 40 DDAB Nc1nccnc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 96474205 WIZHNENEAKLMSQ-GFCCVEGCSA-N 302.334 1.473 0 40 DDAB COc1ncnc2c1CN(C[C@@H](O)c1cc(F)ccc1F)CC2 97201805 VWDKQRLHEIGYPE-OAHLLOKOSA-N 321.327 1.855 0 40 DDAB COc1ccc2nnc(CNC(=O)c3cc4ccccc4o3)n2n1 253472133 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1.419 0 40 DDAB C[C@H](NCCS(=O)(=O)c1ccccc1)[C@H](C)n1cccn1 69952017 LUNCRNXCUJKABZ-KBPBESRZSA-N 307.419 1.896 0 40 DDAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C)C2)n1 72273807 NAROMKJAOKOAMS-NEPJUHHUSA-N 307.419 1.983 0 40 DDAB O=C(NCCn1c(=O)oc2ccccc21)NCc1nccs1 72270140 SFQYEVJCNOBMTM-UHFFFAOYSA-N 318.358 1.550 0 40 DDAB CN(Cc1nc2ccccc2s1)C[C@H](O)Cn1cccn1 44975164 CBSAQLIVIFNNAQ-LBPRGKRZSA-N 302.403 1.986 0 40 DDAB COc1cccc(CN(C)C[C@@H](O)Cn2cccn2)c1OC 44975176 CAXDNTGCKIRSGS-CQSZACIVSA-N 305.378 1.393 0 40 DDAB Cc1cnc(OC[C@H]2CCCN(Cc3noc(C)n3)C2)nc1 1776000828 LXBZDICQDNYOML-ZDUSSCGKSA-N 303.366 1.767 0 40 DDAB CN(CC(=O)NCc1cccs1)c1ncnc2[nH]cnc12 45978793 NQDBBXBHWQDTOJ-UHFFFAOYSA-N 302.363 1.167 0 40 DDAB COC[C@@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)CCO1 73972798 JPMNWOYRSHDHLV-JTQLQIEISA-N 308.359 1.978 0 40 DDAB CC(C)(CCS(C)(=O)=O)CNC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 76087934 GNMVVEPQFZELFG-TXEJJXNPSA-N 316.467 1.745 0 40 DDAB O=C(c1cc2ccccc2o1)N1CCN(C[C@H](O)C2CC2)CC1 85436669 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CN1CCCC[C@]2(CN(C(=O)CCC3CCC3)CCO2)C1=O 2037984418 ALKKGZKMDWQXIH-KRWDZBQOSA-N 308.422 1.807 0 40 DDAB CN1C[C@H]2CN(C(=O)c3ccccc3F)CC[C@@H]2OCC1=O 2037984533 DXSWLBOAQNMZFZ-FZMZJTMJSA-N 306.337 1.145 0 40 DDAB O=C(C1CC(O)C1)N1C[C@H]2C[C@H]1C[C@@H]2OCc1cccnc1 1565553796 JOCLQOOCEOTBFP-XJGFBQBWSA-N 302.374 1.359 0 40 DDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cc[nH]c1)CC2 1565555140 UAZMUPJAZUWXIF-UHFFFAOYSA-N 318.402 1.414 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)CC[C@@H]2C1 1565549200 RLISALARJUTNAT-BCBDKAHJSA-N 306.431 1.940 0 40 DDAB O=S1(=O)c2ccccc2[C@H]2Sc3ncnc4ncn(c34)[C@@H]21 9142752 PXNSENBHHUVNOU-ZWNOBZJWSA-N 316.367 1.959 0 40 DDAB Cc1nc(N(C)C)c(C(N)=O)c(C)c1I 1083809775 HLVSIHVAVDLIPM-UHFFFAOYSA-N 319.146 1.468 0 40 DDAB O=C1NCCN1C(=O)NC[C@@H](c1cccs1)n1cccn1 575613754 KWSRTSVCHFMWOF-JTQLQIEISA-N 305.363 1.269 0 40 DDAB CC(C)N[C@@H]1C[C@@H](c2nc(-c3cccnc3)nn2C)CC[C@H]1O 2332241558 GZSLVXQVVLFGDY-NWANDNLSSA-N 315.421 1.872 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccc2F)o1 31525801 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CC(=O)NCc1cncc([C@H]2CCCN2c2ccc(F)cn2)n1 257204704 AVYCLPHUIURVLM-OAHLLOKOSA-N 315.352 1.988 0 40 DDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(Cc2ccc(F)cc2)C1 257309756 UCGREYLYOWQJGH-LBPRGKRZSA-N 323.393 1.942 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)C1 252507981 WZFSZQHLZUQCME-GHMZBOCLSA-N 324.402 1.827 0 40 DDAB Cn1ccnc1-c1cc(C[C@@H]2CCN(c3ccncn3)C2)ncn1 257300379 RUBMHWPSIJWDBF-ZDUSSCGKSA-N 321.388 1.736 0 40 DDAB Cc1cccc(C[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 257338823 YZBSIWDKCGWYOS-INIZCTEOSA-N 317.433 1.503 0 40 DDAB CNc1nc([C@H]2CCCCN2S(C)(=O)=O)cn2cccc12 257316948 VHRMMHCWKABHPT-GFCCVEGCSA-N 308.407 1.863 0 40 DDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc(C)c[nH]3)C2)CC1 257344304 ZWNKNIVSQARSSR-OAHLLOKOSA-N 318.421 1.683 0 40 DDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc3cccc(F)c3[nH]2)[C@H]1O 257292897 QNJZEFLJPQHSMH-UXIGCNINSA-N 306.337 1.965 0 40 DDAB CC(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c(O)n1 257257968 KRVCXKPXCRYFCM-HUUCEWRRSA-N 319.405 1.192 0 40 DDAB Cc1cc([C@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1 257299732 RRHSYWYCPHRZSV-GFCCVEGCSA-N 304.375 1.764 0 40 DDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](O)CC3)cn2)n1 257250135 JLDOZQAPGKQPDQ-OAHLLOKOSA-N 314.389 1.871 0 40 DDAB CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccc(F)cc1 260822871 BIKNBABTWDFNPT-SNVBAGLBSA-N 302.371 1.284 0 40 DDAB CC(C)N1CCOC[C@@]2(CN(C(=O)C3CC(F)C3)CCO2)C1 585101537 SYTKZZHCADLFTA-XUJLQICISA-N 314.401 1.073 0 40 DDAB COCCNC(=O)C[C@@H]1CN(CC2CCC2)Cc2cccn2C1 585099132 OLJRYHVCZQJIMA-MRXNPFEDSA-N 319.449 1.873 0 40 DDAB COC(=O)Nc1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 69704599 JTYRUCYTQMXISD-NSHDSACASA-N 308.334 1.491 0 40 DDAB C[C@H]1CCC[C@@H](NC(=O)NC(=O)CN2CCO[C@H](C)C2)[C@@H]1C 37195068 VVDRXZYBBATMFL-REWJHTLYSA-N 311.426 1.358 0 40 DDAB C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)S(C)(=O)=O 45800907 PBGLUZFCYNYXST-LURJTMIESA-N 307.274 1.380 0 40 DDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1ccc(=O)[nH]c1 46623171 BWQMOJQDXZFSNF-UHFFFAOYSA-N 309.329 1.228 0 40 DDAB Cc1ccn(-c2ccc(N3CCC4(CC3)OC[C@@H](C)O4)nn2)n1 77986315 XKRNBUSBTWHAFA-CYBMUJFWSA-N 315.377 1.703 0 40 DDAB CC(C)CCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O 78996969 SIIYETLNPSKEIA-PBHICJAKSA-N 304.390 1.313 0 40 DDAB CC(=O)N1CCN(c2cc(Br)c(N)cc2F)CC1 169803691 FQTKZHZQMDWCFO-UHFFFAOYSA-N 316.174 1.839 0 40 DDAB CCc1ncnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c1F 301877174 SNTKVEKFEXQJEE-LBPRGKRZSA-N 322.384 1.253 0 40 DDAB CC(C)(CNc1ccccc1S(=O)(=O)C(F)F)C(N)=O 78876484 ZNQFOJRRUOCHRR-UHFFFAOYSA-N 306.334 1.606 0 40 DDAB Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccco2)cc1 5015411 SKQPCYOHZLSOLB-UHFFFAOYSA-N 322.386 1.686 0 40 DDAB Cc1cc(C)cc(NC(=O)CSc2nnc(C)c(=O)n2N)c1 5994682 SHNQHPTZMSIAGH-UHFFFAOYSA-N 319.390 1.008 0 40 DDAB O=C(CN1CCC(O)(c2cccnc2)CC1)NCc1ccco1 13266172 KBSOVABUHLCCHZ-UHFFFAOYSA-N 315.373 1.274 0 40 DDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc2c(c1)OCCO2 14239502 MWLXQGUFXSYBDU-CYBMUJFWSA-N 320.370 1.424 0 40 DDAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1ccc(C(=O)O)cc1 16899434 WORSZTGWTREWEA-JTQLQIEISA-N 319.342 1.027 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O 2649906 YLMIKFVQIAQUTR-UFUPEUMYSA-N 304.755 1.302 0 40 DDAB O=C(NCC1CCN(c2ccccn2)CC1)NC1CCOCC1 225553658 FDBSNIAYVCDDGO-UHFFFAOYSA-N 318.421 1.776 0 40 DDAB CCOc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 4516824 WSCULFTXCJBKIX-UHFFFAOYSA-N 305.334 1.354 0 40 DDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CCCO1 9386385 ZEXQATVNCXSIQW-BZNIZROVSA-N 302.330 1.395 0 40 DDAB Cc1cc(CN2CCC(S(=O)(=O)c3nccn3C)CC2)on1 1888843353 DJGOULBEJZIFRB-UHFFFAOYSA-N 324.406 1.155 0 40 DDAB CSc1ncc(C)c(N2CCN(Cc3noc(C)n3)CC2)n1 1888860546 XWRLSLCLABBOBG-UHFFFAOYSA-N 320.422 1.521 0 40 DDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccnc1 24605364 UAESTKUHKWXOJU-UHFFFAOYSA-N 319.386 1.061 0 40 DDAB CN1C[C@@]2(CCN(C(=O)c3cccc(F)c3)C2)COCC1=O 2037985000 URPIZUFXOFSQSY-MRXNPFEDSA-N 306.337 1.147 0 40 DDAB O=C1CC[C@@]2(CCCN(C(=O)c3cc(C4CC4)on3)CC2)N1 1565547608 QPPSQRPXMHTMBM-MRXNPFEDSA-N 303.362 1.827 0 40 DDAB O=C(NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1)c1ccncc1 1565551354 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DDAB Cc1cccc(C(=O)NCC(=O)NCCCn2cccn2)c1 30169478 MMHNTWCMHMQUGG-UHFFFAOYSA-N 300.362 1.128 0 40 DDAB COc1ccc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 40496207 FGSOYBCPAIVINO-SNVBAGLBSA-N 308.359 1.093 0 40 DDAB Cn1c(CCC(N)=O)nn(CN(C2CCCC2)C2CC2)c1=S 40520022 GJWXCMALEQJJDW-UHFFFAOYSA-N 323.466 1.733 0 40 DDAB O=C(CS(=O)(=O)c1ccccn1)N1CCCc2ccccc21 40539946 ZOJGWDDMWNAHCZ-UHFFFAOYSA-N 316.382 1.835 0 40 DDAB O=C(Nc1cccnc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32088716 YPISCWPLDGIBRH-LBPRGKRZSA-N 323.360 1.374 0 40 DDAB C[C@@H](C(=O)Nc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCO1 32796964 BFKUPYDYYZKJLC-GXFFZTMASA-N 315.366 1.747 0 40 DDAB O=C1NCCN1C1CCN(c2ncnc3ccsc23)CC1 52486923 BLCCPAULDWIXRQ-UHFFFAOYSA-N 303.391 1.685 0 40 DDAB CSc1ccccc1NC(=O)CCN1CCC[C@@H](C(N)=O)C1 32870794 TXGFBDNAQQSNDC-GFCCVEGCSA-N 321.446 1.934 0 40 DDAB Nc1cc(N)nc(SCCC(=O)Nc2ccccc2F)n1 32871079 QKBZOSXKAXWLNF-UHFFFAOYSA-N 307.354 1.901 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1)OCC(=O)N2 33207842 PAIQFBJTCSBQKQ-JTQLQIEISA-N 300.314 1.972 0 40 DDAB CC(C)c1noc(CCC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)n1 41807026 CRZQPRGCWZMQLK-STQMWFEESA-N 324.425 1.351 0 40 DDAB CN(c1ccccc1)c1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)cn1 53894906 KPHIQDYYDXVPBG-CQSZACIVSA-N 324.384 1.797 0 40 DDAB COc1cc(CCC(=O)Nc2nc(C(F)(F)F)n[nH]2)on1 79487126 POEXNQNRHIUFIJ-UHFFFAOYSA-N 305.216 1.391 0 40 DDAB Cn1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cn1 25308505 GFQQFRPAQMWCDB-UHFFFAOYSA-N 300.318 1.322 0 40 DDAB CC1(C)S[C@H](CNC(=O)COc2ccccc2)N[C@@H]1C(=O)O 6755026 NABJOXIJXQOSPN-CHWSQXEVSA-N 324.402 1.076 0 40 DDAB in-vitro O=C(N[C@H]1CCN(C2CC2)C1)c1ccc2c(c1)OCCCO2 58166928 GXDGVIDZVOUMEO-ZDUSSCGKSA-N 302.374 1.814 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(COCC2CC2)c1 58159120 OPSBUCSJNHCWDE-LLVKDONJSA-N 305.378 1.869 0 40 DDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC3=NCCS3)c12 44896216 IGDQFPWCNFAKDA-UHFFFAOYSA-N 315.402 1.987 0 40 DDAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cnccn1 58293007 VOZXDROVTNUQDA-GFCCVEGCSA-N 311.263 1.959 0 40 DDAB CN1CCO[C@H](CNC(=O)Cn2ccc3ccc(Cl)cc32)C1 58265478 JCFGPNIFWOJBBO-CQSZACIVSA-N 321.808 1.742 0 40 DDAB Cc1cc(NC(=O)CCN2CCC(c3cc[nH]n3)CC2)no1 58232082 QESWEUWPTLVGQX-UHFFFAOYSA-N 303.366 1.914 0 40 DDAB Cc1csc(CNC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)n1 44952954 BIYKFRSHYNSTAK-RYUDHWBXSA-N 312.439 1.360 0 40 DDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44938184 PDAPFLZJSLEKJA-ZETCQYMHSA-N 319.766 1.118 0 40 DDAB O=C(NC1CC1)C1CCN(Cc2cccc3c2OCCO3)CC1 58315739 VWZHCHIRXRAEOI-UHFFFAOYSA-N 316.401 1.948 0 40 DDAB O[C@H](CNC[C@@H]1CNc2ccnn2C1)COc1ccc(F)cc1 58315956 QQMSTVBAIYFMEN-TZMCWYRMSA-N 320.368 1.093 0 40 DDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)C[C@H]1O2 107806551 VYTVIWFZTZAWHE-YNEHKIRRSA-N 323.780 1.707 0 40 DDAB COc1ccc(NC(C)=O)cc1NC(=O)c1cnn(C)c1C 10935493 NOKBASLDRNKESB-UHFFFAOYSA-N 302.334 1.948 0 40 DDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCCc1cccnc1 58841565 CGKKVRUGBZVRFG-OAHLLOKOSA-N 303.406 1.922 0 40 DDAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)o1 107264018 XDXAQTDETDIEKX-BZUAXINKSA-N 304.390 1.800 0 40 DDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N(C)C 36877807 WVLGHYODCHRGIR-UHFFFAOYSA-N 307.379 1.160 0 40 DDAB COc1ccc([C@@H](NC(=O)CN2CCN(C)CC2)C(C)C)cc1 29693630 MPMAJKDFGAAETA-SFHVURJKSA-N 319.449 1.756 0 40 DDAB Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cs1 29782858 AJHGKJCDWJGAQV-GFCCVEGCSA-N 309.435 1.615 0 40 DDAB NC(=O)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 97497949 PLGPIFYXSDJVLY-INIZCTEOSA-N 309.369 1.198 0 40 DDAB CC(C)=CCC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 105366921 AYRGGDSIYYYSRA-MNLSVMLLSA-N 305.374 1.988 0 40 DDAB Cn1ncc(Cl)c1C(=O)NC(=S)N1CCSCC1 2756064 WLRDVYAPEAKXKU-UHFFFAOYSA-N 304.828 1.137 0 40 DDAB CC(=O)N1CCc2cc(C(=O)NCCCn3ccnc3)ccc21 48288356 IDIQXCJJSNAOPL-UHFFFAOYSA-N 312.373 1.612 0 40 DDAB C[C@H](NC(=O)NCc1cccnc1-n1cccn1)[C@H]1CCCO1 48253116 XGJUEHGWALBYNF-GXTWGEPZSA-N 315.377 1.634 0 40 DDAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(C)on1 3379507 PHVPAADIFGLDMS-UHFFFAOYSA-N 305.290 1.572 0 40 DDAB O=C(O)c1nccnc1C(=O)N1CCN(c2ccccc2)CC1 3305411 PWOQIUQFNNEYTO-UHFFFAOYSA-N 312.329 1.137 0 40 DDAB O=C(NCCN1C(=O)CCCC1=O)c1cc(F)c(F)c(F)c1 73123373 IZWZGOOGYNHGSS-UHFFFAOYSA-N 314.263 1.373 0 40 DDAB CCCCN(CC(N)=O)C(=O)c1ccn(-c2ccccc2)n1 49743822 VBWWJKGQJAFYMG-UHFFFAOYSA-N 300.362 1.600 0 40 DDAB CCN(c1cccnc1)S(=O)(=O)c1cc(Cl)cnc1N 95433773 LIGQUIQCAVZVSD-UHFFFAOYSA-N 312.782 1.927 0 40 DDAB NC(=O)[C@@H]1COCCN1c1nccc(Oc2ccc(F)cc2)n1 95467540 IJZQLXZTHLQRBU-LBPRGKRZSA-N 318.308 1.099 0 40 DDAB CCOc1ccccc1NC(=O)Cn1c(C)nc(C)cc1=O 5610101 SVWHDAVAXBGBKT-UHFFFAOYSA-N 301.346 1.898 0 40 DDAB CN(C)CCOc1ccccc1C(=O)N(C)Cc1cnn(C)c1 80325964 SBUKGESEKQFVLU-UHFFFAOYSA-N 316.405 1.633 0 40 DDAB Cc1ncoc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 80607970 OPSGXVJYRFKXKK-UHFFFAOYSA-N 306.753 1.994 0 40 DDAB CN1CCO[C@@H](CNCc2cc(Cl)c3c(c2)OCCO3)C1 71857596 UGLBGFQZGQNMPF-LBPRGKRZSA-N 312.797 1.531 0 40 DDAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 71831444 NRTNEPMDFYGLGH-UHFFFAOYSA-N 312.373 1.805 0 40 DDAB c1ccc(-n2ncc(CN3CCCC[C@H]3Cn3cncn3)n2)cc1 71876375 PMPJXCFPEZRXIG-KRWDZBQOSA-N 323.404 1.914 0 40 DDAB NC(=O)CCn1ccc(Nc2nccc(C(F)(F)F)n2)n1 71910630 SWINDBZUAYXRDD-UHFFFAOYSA-N 300.244 1.311 0 40 DDAB O=C(C1CC1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 16694700 MOUARHBQLRECSY-UHFFFAOYSA-N 318.402 1.852 0 40 DDAB CNC(=O)c1cccc(NS(=O)(=O)N2CCC[C@H](C)C2)c1 71916538 PXGQGAYMUYQKGO-NSHDSACASA-N 311.407 1.435 0 40 DDAB Cc1noc(C(C)C)c1C(=O)N1CCN(c2ncccn2)CC1 8134525 DRHIAEXFAKMZCS-UHFFFAOYSA-N 315.377 1.859 0 40 DDAB C[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 8332699 NVNOKDOKWINFPU-LLVKDONJSA-N 315.398 1.883 0 40 DDAB O=C1CC2(CCCC2)C(=O)N1CC(=O)N1CCc2ccccc21 8401835 ATJKCYVNRDJLLU-UHFFFAOYSA-N 312.369 1.895 0 40 DDAB O[C@H](COc1ccccc1)CN1CCC[C@H](N2CCCC2)C1 69570834 KIBDCOAJEMETTF-IRXDYDNUSA-N 304.434 1.987 0 40 DDAB COCCN1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 69527585 RHCSDIKSKSHNKL-MRXNPFEDSA-N 302.418 1.945 0 40 DDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCc1cccs1 69597588 MXRLSQKUMTZSNX-GFCCVEGCSA-N 305.407 1.120 0 40 DDAB CN1CN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1=O 95993505 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CSc1ncc(C)c(N2CCN(c3ncncc3F)CC2)n1 1888853566 DURFZACGRYYBFI-UHFFFAOYSA-N 320.397 1.763 0 40 DDAB Cc1nnc(N2CC(NC(=O)CCc3ccccc3F)C2)s1 1888854642 KOMDEVGFIQDBFN-UHFFFAOYSA-N 320.393 1.923 0 40 DDAB COc1cc(CN2CCO[C@@H](C(=O)NC3CC3)C2)cc(OC)c1 1889098718 WRABKLBINOPKDO-MRXNPFEDSA-N 320.389 1.183 0 40 DDAB CCc1nc(CN2CCc3cc(S(N)(=O)=O)ccc32)cs1 23904106 KMACRYQPWBGSQU-UHFFFAOYSA-N 323.443 1.916 0 40 DDAB COP(=O)(OC)[C@H](NC(=O)OCc1ccccc1)C(=O)O 97757461 RTXDKVFNAOMDFV-JTQLQIEISA-N 317.234 1.809 0 40 DDAB CCOC(=O)c1cnc(O)n(Cc2ccc(OC)cc2)c1=O 2086894053 YVFRXNTXCWMJQK-UHFFFAOYSA-N 304.302 1.183 0 40 DDAB COc1cccc2s/c(=N/C(=O)c3ccnn3C)n(C)c12 101334999 TVEUYXHKIIJUSQ-JQIJEIRASA-N 302.359 1.723 0 40 DDAB CC1CCN(S(=O)(=O)NCc2cccnc2N(C)C)CC1 40093742 NCQGBXUVTMDJLN-UHFFFAOYSA-N 312.439 1.214 0 40 DDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(O)c1)c1ccco1 40266688 KHVZGEMQLOKRRX-ZDUSSCGKSA-N 317.345 1.343 0 40 DDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)N1CCc2ccccc2C1 40528646 KMQDKUNHEUHEAE-HNNXBMFYSA-N 323.414 1.165 0 40 DDAB CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 40553614 GSOYJJCWXKSADN-LBPRGKRZSA-N 315.373 1.386 0 40 DDAB Cc1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)o1 31943202 XSYJUEZHTYXOLD-OAHLLOKOSA-N 310.419 1.526 0 40 DDAB COc1ccc(Cl)cc1CN1CCN([C@@H](C)C(=O)O)CC1 51659367 OOQKXVURUUVKPP-NSHDSACASA-N 312.797 1.939 0 40 DDAB C[C@H](CCc1ccccc1)Nc1c(N2CCOCC2)c(=O)c1=O 101658459 QJVZLBSKPQZXDP-CYBMUJFWSA-N 314.385 1.552 0 40 DDAB Cc1noc(C)c1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 32469315 CIVXBGOFJFLPFQ-LLVKDONJSA-N 300.380 1.481 0 40 DDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(O)CC2)c1C 21334895 DPKKKFQTEYPBGI-GFCCVEGCSA-N 322.405 1.836 0 40 DDAB O=C(C[C@H]1C=CS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21 32808719 BUQDDDKXVMNKPC-DGCLKSJQSA-N 307.371 1.575 0 40 DDAB CCOc1ccc([C@H]2CCCN2C(=O)CN(C)CC(N)=O)cc1 52831778 HHRBWFSOQFZLRV-OAHLLOKOSA-N 319.405 1.166 0 40 DDAB Cc1ccc(-c2nc(CC(=O)N3CC[C@H](C(N)=O)C3)cs2)o1 53894370 RSDHDURJLXGQJM-JTQLQIEISA-N 319.386 1.588 0 40 DDAB COC[C@@H]1CN(c2ccc(-n3nc(C)cc3C)nn2)CCO1 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CC(C)C[C@@H]1NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)C1=O 9614208 RQCOQNYFEFUJND-UPJWGTAASA-N 309.410 1.648 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 69698176 XDQWZUBKBNTVJO-AWEZNQCLSA-N 304.394 1.391 0 40 DDAB Cn1c(CN2CCCC[C@@H]2Cn2cccn2)nnc1C1CC1 69778515 KDBOBLQGKDFLLT-CQSZACIVSA-N 300.410 1.944 0 40 DDAB CCN(C(=O)CNC(=O)NCc1ccco1)c1nc(C)cs1 74063506 SCEUBHXJNNJYAN-UHFFFAOYSA-N 322.390 1.897 0 40 DDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 96888434 ZJYYAQINSFOXJZ-CWRNSKLLSA-N 315.369 1.686 0 40 DDAB Cc1c(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)cnn1C 95991359 RQVOVWIPBFLCDA-CYBMUJFWSA-N 307.394 1.924 0 40 DDAB Cc1nccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)n1 72235491 NTLGMFWKMODYRH-CYBMUJFWSA-N 300.366 1.471 0 40 DDAB C[C@@H](C[S@@](C)=O)N(C)Cc1nc2ccccc2c(=O)n1C 97161725 MQCAIDBDYYNLGG-MQJDWESPSA-N 307.419 1.132 0 40 DDAB NC(=O)c1cc(N2CCN(CC3CCCC3)C(=O)C2)ccn1 97162964 JHQIDAPXHYPIIG-UHFFFAOYSA-N 302.378 1.019 0 40 DDAB CN(CC(=O)Nc1cc(F)ccc1F)C1CCS(=O)CC1 72308570 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CCn1ncc(CNC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)n1 528085776 ZITJTDIFXJPMCP-GXTWGEPZSA-N 306.414 1.066 0 40 DDAB COC(=O)Cc1ccccc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 225488584 SGWUHMRUTHRZAR-BBRMVZONSA-N 316.401 1.568 0 40 DDAB Cc1csc2c(N[C@@H]3CCCN(CCO)C3=O)ncnc12 225457920 KIYUMYNGPZFWBL-SNVBAGLBSA-N 306.391 1.395 0 40 DDAB Cc1nnc(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)s1 329712813 QOISRIIVBWOHMH-INIZCTEOSA-N 313.382 1.990 0 40 DDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2ccnc2C)cc1 193267235 XXGFUCHBGCQSFF-UHFFFAOYSA-N 300.362 1.597 0 40 DDAB O=S(=O)(N1CCOCC1)N1CCC(=Cc2ccccc2)CC1 96455467 JJZWDGUUTDHIPL-UHFFFAOYSA-N 322.430 1.743 0 40 DDAB C[C@](O)(CNC(=O)N[C@H]1COc2ccccc21)c1ccco1 96439603 RHEPWKNHKCZAML-LRDDRELGSA-N 302.330 1.920 0 40 DDAB C[C@H](NC(=O)NC1Cc2ccccc2C1)[C@@H](C)N1CCOCC1 97377439 WYEIDAHKCHVWBM-UONOGXRCSA-N 317.433 1.562 0 40 DDAB Cn1nnc2c1CCN(Cc1ccncc1)[C@@H]2COCC1CC1 96068732 REUQNTDMWAMZMQ-MRXNPFEDSA-N 313.405 1.736 0 40 DDAB Cc1ccc(NC(=O)c2cccc(OCc3nnnn3C)c2)nc1 96101339 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Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccccn1 96098592 ZQNGRVGJYHJEIA-UHFFFAOYSA-N 313.361 1.577 0 40 DDAB CC(C)c1nnnn1CC(=O)N1CCOc2c(F)ccc(F)c21 585141037 NYSBWICLJZTSMD-UHFFFAOYSA-N 323.303 1.500 0 40 DDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cc[nH]n3)[C@H]2O)cc1 585286305 WIMQSDIAVBFLOA-DAXOMENPSA-N 315.373 1.666 0 40 DDAB CS(=O)(=O)N1CCN(C(=O)NCCC2=CCCCC2)CC1 40476369 LOXWEJGFCZVBOT-UHFFFAOYSA-N 315.439 1.164 0 40 DDAB COC(=O)C[C@@H](C)NC(=O)[C@H]1COc2cc(OC)ccc2C1 69869308 VBMIEHPIVSAZQJ-ZYHUDNBSSA-N 307.346 1.314 0 40 DDAB CCc1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)o1 31746138 WVHPAYRQUOMWMK-UHFFFAOYSA-N 322.386 1.680 0 40 DDAB C[C@H](CC(=O)NC1CCN(CC(N)=O)CC1)C1CCCCC1 69973630 XNBKHYRCOFPVKY-CYBMUJFWSA-N 309.454 1.659 0 40 DDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F 33924344 BGUSKOBUWORERC-LLVKDONJSA-N 319.329 1.681 0 40 DDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(n2nccn2)C1 888107065 VMMYBLROWVWQMU-UHFFFAOYSA-N 318.402 1.403 0 40 DDAB Cc1nc(COc2ccccc2C(=O)N2CCO[C@H](C)C2)no1 40485512 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Cc1ccc(OCC(=O)Nc2cc(C)on2)c(-n2cnnc2)c1 15867192 YKHGNGZVLLOWIG-UHFFFAOYSA-N 313.317 1.890 0 40 DDAB C[C@@H](NC(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 18148501 FMMXRCKZVXQYFD-DRZSPHRISA-N 319.361 1.600 0 40 DDAB CC(C)(CNC(=O)c1cnn2cccnc12)N1CCCCC1 19657731 ZAGGNXHQWCDKKF-UHFFFAOYSA-N 301.394 1.724 0 40 DDAB Cc1nn(C)cc1C(=O)N1CC[C@@H](C(=O)NC2CCCC2)C1 19747842 IHXRICACRZOMHN-GFCCVEGCSA-N 304.394 1.249 0 40 DDAB Cc1ccc(N2C[C@H](NC(=O)NC(C)(C)CO)CC2=O)cc1 4359974 JAZMUGODKRHZBP-GFCCVEGCSA-N 305.378 1.170 0 40 DDAB O=C1CCc2cc(S(=O)(=O)N3CCCC3)cc3c2N1CC3 5153470 XZIBLPCEVDWYRZ-UHFFFAOYSA-N 306.387 1.306 0 40 DDAB Cc1ccc(-n2c(SCCO)nnc2N2CCOCC2)cc1 27922687 KIGMNSFFDGFZTA-UHFFFAOYSA-N 320.418 1.497 0 40 DDAB O=C(NC1CC1)[C@@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1 1889104431 VAEZQUWJEAQBKT-ZDUSSCGKSA-N 321.764 1.965 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H](N(C)S(C)(=O)=O)C1 1888849866 DDQRXKATJIDDAS-GFCCVEGCSA-N 301.412 1.147 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccccc1C(=O)N(C)C 25152423 ODJDDRXUXHYCIX-YPMHNXCESA-N 317.389 1.489 0 40 DDAB N[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1 252504227 VINAKOLLBDXUOF-YUMQZZPRSA-N 314.354 1.791 0 40 DDAB CCOCC(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037912941 FJKFDUAEVTUWCI-QGZVFWFLSA-N 307.390 1.846 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)cn1 2037984874 QHRDBDVBWOHQDF-KRWDZBQOSA-N 317.389 1.244 0 40 DDAB O=C(c1cnco1)N1CC2(C[C@H](NC3CCCC3)CS2)C1 2056223441 LITRFUYSSUGLFS-LBPRGKRZSA-N 307.419 1.907 0 40 DDAB CC1CC(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)C1 1565546151 WFYDIARCFLHPLZ-UHFFFAOYSA-N 319.405 1.449 0 40 DDAB Cc1nc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)cs1 1565542370 RJKDIKNXNNSHHB-UHFFFAOYSA-N 319.434 1.408 0 40 DDAB CN(C)c1ncnc2c1CCN(C(=O)CCc1ccc[nH]1)CC2 1565548318 XOPQCNDFERGYHE-UHFFFAOYSA-N 313.405 1.431 0 40 DDAB CC(C)CNC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864315 XMQQXKSOEWZXLH-CQSZACIVSA-N 323.462 1.773 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@]3(CC2)CN(C)CCO3)cn1 2055785535 ZAAZXSOOAVQSRZ-SFHVURJKSA-N 317.433 1.971 0 40 DDAB CC(C)c1nnc(NC(=O)C[C@@H]2SC(=O)NC2=O)s1 26770228 BNWZGAAEKMVQPD-YFKPBYRVSA-N 300.365 1.342 0 40 DDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC3CCCC3)C2)n(C)n1 2332241611 NVGLRAWOVIGAHD-IACUBPJLSA-N 321.425 1.362 0 40 DDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cc2ccccc2o1 111147170 VLVDVRWVHQQREJ-RYUDHWBXSA-N 303.314 1.835 0 40 DDAB CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCCC1 40070965 MWXXNNJPSLPPBH-UHFFFAOYSA-N 321.406 1.282 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)CCc1ccc2c(c1)OCO2 31397486 LBFGXOGGSFBWFO-GFCCVEGCSA-N 301.346 1.749 0 40 DDAB Cc1nc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2nc1C 40522272 NWHXVAHEVOFMOT-AWEZNQCLSA-N 312.373 1.645 0 40 DDAB C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 40511887 YYYKOVKYJFHHDM-LBPRGKRZSA-N 311.407 1.009 0 40 DDAB CCOC(=O)/C=C(\N)N1CCN(c2ccc(Cl)cc2)CC1 168564 VKLLTAGLGMPXRR-SDNWHVSQSA-N 309.797 1.825 0 40 DDAB CCc1cc(C)cc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c1 253617 IWRZXBKIXBFSOD-CYBMUJFWSA-N 320.389 1.628 0 40 DDAB CN(C)C(=O)Cc1nc(CSc2nncs2)cs1 32831983 FCJHIEXJNNLKEB-UHFFFAOYSA-N 300.434 1.918 0 40 DDAB O=c1cc(CN(C[C@@H]2CCOC2)C2CC2)nc2sccn12 52753204 LOGIOXNXDAZRCF-NSHDSACASA-N 305.403 1.757 0 40 DDAB O=C(NC[C@H](O)COc1ccccc1)c1cc(C2CC2)[nH]n1 41331482 SYUZZXVCRDYCLV-LBPRGKRZSA-N 301.346 1.457 0 40 DDAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)c1 530193 NLFRHTYVBGPXAK-UHFFFAOYSA-N 320.352 1.860 0 40 DDAB O=c1[nH]c(CN2CCOCC2)nc2cc(C(F)(F)F)ccc12 33428302 RWIMSWPRQHGYFP-UHFFFAOYSA-N 313.279 1.774 0 40 DDAB Cc1c(C(=O)N2CCO[C@@H](C)C2)sc2ncn(C)c(=O)c12 54134477 BQKKEEWPYGJOMJ-QMMMGPOBSA-N 307.375 1.164 0 40 DDAB CN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCO2 42678526 FOXVLQNGTSYZEK-UHFFFAOYSA-N 304.371 1.837 0 40 DDAB Nc1nc(Cl)cc(NCc2ccc(-n3ccnc3)nc2)n1 24056872 IQMLQGMDIPDBAE-UHFFFAOYSA-N 301.741 1.905 0 40 DDAB O=C(NC[C@@H]1CCCO1)N1CCC[C@@H]1c1nnc2ccccn12 42867370 AQWKHLOHODZTOJ-QWHCGFSZSA-N 315.377 1.755 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCCN1CCC(=O)NC(N)=O 77371526 JVFOGAYQMXDZKY-CQSZACIVSA-N 318.421 1.168 0 40 DDAB Cc1noc(C)c1C(=O)NCc1ccc(CS(C)(=O)=O)cc1 55822853 JRXUUYVNSFLLSG-UHFFFAOYSA-N 322.386 1.766 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccncc1 6043832 KCKVNENFXDMRLZ-GFCCVEGCSA-N 319.386 1.065 0 40 DDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CC(=O)Nc2ccccc21 25845853 WXXZXMCNFRQZLM-GFCCVEGCSA-N 303.362 1.001 0 40 DDAB CC(C)CN(CC(N)=O)CC(=O)NCc1ccc(Cl)cc1 26125066 IWSOSGKPUGKBNL-UHFFFAOYSA-N 311.813 1.400 0 40 DDAB Cc1nc(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)oc1C 89558320 NBBCAVOTEKVIJY-HNNXBMFYSA-N 321.421 1.656 0 40 DDAB COc1ccc(-c2ncc([C@@H](N)CC(=O)O)cn2)cc1OC 8731003 QMSAUJRNGUTWKD-NSHDSACASA-N 303.318 1.635 0 40 DDAB C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1ccnc1 44886167 ICMZDFAVVVIYSJ-ZDUSSCGKSA-N 302.353 1.932 0 40 DDAB Cc1cc(C(=O)N2CCN(C(=O)c3cc(C)no3)[C@@H](C)C2)on1 75178816 GFUATCPHLSNTSV-NSHDSACASA-N 318.333 1.266 0 40 DDAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCOC[C@@H]1C 44912206 VAXMSFIPYOBINJ-LBPRGKRZSA-N 315.373 1.342 0 40 DDAB COc1ncccc1NC(=O)NCC(C)(C)N1CCN(C)CC1 44953586 RXPYGDPAWDAGDB-UHFFFAOYSA-N 321.425 1.238 0 40 DDAB CCOc1ccc(OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 48088694 OMNPRNYBEZPYKJ-LBPRGKRZSA-N 306.362 1.188 0 40 DDAB COCCNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28228026 DRYLWSNFTMGVDC-UHFFFAOYSA-N 319.313 1.964 0 40 DDAB CS(=O)(=O)c1ccc(CN2C(=O)C(=O)c3ccccc32)cc1 3252539 LQZMSKIMGBWEEF-UHFFFAOYSA-N 315.350 1.820 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100546787 FQOJPAYLDFVNPE-FQUUOJAGSA-N 303.314 1.596 0 40 DDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 29444546 VEOWFPJTJCFBHX-AWEZNQCLSA-N 304.394 1.169 0 40 DDAB CC(=O)N(C)CC(=O)NC[C@H](C)N1CCc2sccc2C1 46243634 JCNYYLCOZHEAGG-NSHDSACASA-N 309.435 1.089 0 40 DDAB CC(=O)c1ccc(NC(=O)CSc2nc(O)nnc2C)cc1 11990611 FTBYRMZJSKVYBW-UHFFFAOYSA-N 318.358 1.819 0 40 DDAB CN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 55750920 XZBKLZDIACCKFO-UHFFFAOYSA-N 314.382 1.460 0 40 DDAB NC(=O)CN(C(=O)c1cc(Cl)c2c(c1)OCO2)C1CCCC1 47236553 VLWFWWBCJPHOQP-UHFFFAOYSA-N 324.764 1.939 0 40 DDAB Cc1nn(C)c2ncc(NC(=O)N(C)Cc3cnn(C)c3)cc12 48103799 FFNGSCLJXCJIEK-UHFFFAOYSA-N 313.365 1.674 0 40 DDAB O=C1CC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CN1 48226445 NHFDLPNMCBYBHK-MRVPVSSYSA-N 317.267 1.487 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(CCCCC2)C1 76085289 CRBPLPMGRSYAFM-CYBMUJFWSA-N 314.451 1.787 0 40 DDAB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)o1 3464083 ARLGHYMNQBGHNZ-UHFFFAOYSA-N 322.342 1.852 0 40 DDAB Cn1cccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1=O 49504127 VEYATJKDMUUZGR-GFCCVEGCSA-N 306.362 1.191 0 40 DDAB Cc1ccc(N([C@H]2CCS(=O)(=O)C2)S(C)(=O)=O)cc1C 4158646 CRFHNLBPYLCZKS-ZDUSSCGKSA-N 317.432 1.257 0 40 DDAB Cn1ncc(NCc2ccnc(-n3cccn3)c2)c(Cl)c1=O 73772008 ZIWZXNZXGWTEJU-UHFFFAOYSA-N 316.752 1.627 0 40 DDAB CC(C)(NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(N)=O 65428264 VTOFATIPFLPNQA-UHFFFAOYSA-N 307.737 1.989 0 40 DDAB Cc1cc(CN2CCc3ncnc(N4CCOCC4)c3C2)on1 65513551 RQTRPOJJNOKNSE-UHFFFAOYSA-N 315.377 1.168 0 40 DDAB COC(=O)N1CCC[C@@H]1C(=O)NCCOc1cccc(OC)c1 65592310 BFWMAVNKYZTKIO-CQSZACIVSA-N 322.361 1.421 0 40 DDAB COc1ccccc1[C@@H](C)N(C)CC(=O)NC[C@@H]1CCCO1 65605243 SIVSVCZPOUGOFY-KGLIPLIRSA-N 306.406 1.983 0 40 DDAB C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H](C)N1CCN(C)CC1 95979615 BVXYCBBFHLQMOS-STQMWFEESA-N 323.462 1.462 0 40 DDAB C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C(C)(C)CO1 96495790 OUTSIPMWBBBZLD-LLVKDONJSA-N 308.353 1.581 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCC[C@@H]1OC 96461546 XHJOKQQGHXAJQO-AGIUHOORSA-N 321.425 1.932 0 40 DDAB Cc1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)n1C 96410228 YSLKCHHKTVHGAG-UHFFFAOYSA-N 321.402 1.635 0 40 DDAB Cc1cccc2[nH]cc(CCNS(=O)(=O)c3cnn(C)c3)c12 96453011 UNCZYXOJATUTGN-UHFFFAOYSA-N 318.402 1.731 0 40 DDAB Cc1occc1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 71826730 WKMGLESMBOYLCS-LBPRGKRZSA-N 304.321 1.801 0 40 DDAB C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC(C)(C)O1 71831172 ONNMKUPTWWTQCH-GFCCVEGCSA-N 300.362 1.907 0 40 DDAB O=C1NCCN1C1CCN(C[C@H](O)c2ccccc2F)CC1 71810532 QRZPVBNSQBUHII-HNNXBMFYSA-N 307.369 1.349 0 40 DDAB COc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC 71829805 NNXCQANOZNJACT-YPMHNXCESA-N 320.389 1.359 0 40 DDAB Cc1nc(CN2CCCN(CCOCC(F)(F)F)CC2)no1 71871620 CQGTYLIDNKTEER-UHFFFAOYSA-N 322.331 1.465 0 40 DDAB CC[C@@H](COC)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 71915373 OHSGCIOMHWUGIY-GJZGRUSLSA-N 304.390 1.576 0 40 DDAB COCCN1CC[C@H](CNC(=O)COc2ccccc2C)C1 68493760 IXFPTOQMTOVYRF-OAHLLOKOSA-N 306.406 1.458 0 40 DDAB CC(C)c1cc(C(=O)OCC(N)=O)c2cnn(C(C)C)c2n1 7790356 AWQAXKVYHZXNNG-UHFFFAOYSA-N 304.350 1.778 0 40 DDAB CN(C)S(=O)(=O)c1ccc(=O)n(C/C=C/c2ccccc2)c1 16117541 QPVOQCUUHYNAMS-RMKNXTFCSA-N 318.398 1.812 0 40 DDAB Cc1noc(C)c1CC(=O)N(CCN(C)C)C1CCN(C)CC1 95954451 FQIYGHRODGLUSC-UHFFFAOYSA-N 322.453 1.318 0 40 DDAB O=C1CN(C(=O)c2cccc(OCc3ccccc3)c2)CCN1 7989703 DLNIYCCSLZIFNC-UHFFFAOYSA-N 310.353 1.838 0 40 DDAB C[S@](=O)CCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 83990114 VWBNUNKXKGOYMK-HXUWFJFHSA-N 317.794 1.610 0 40 DDAB CCS(=O)(=O)Nc1ccc(NC(=O)C2(O)CCCC2)cc1 95955507 HWQGAOMHAQYNCI-UHFFFAOYSA-N 312.391 1.692 0 40 DDAB CC(C)c1cc(NC(=O)CN2CCCC[C@H]2C2OCCO2)on1 69304543 CNFFADBTQYNPJM-ZDUSSCGKSA-N 323.393 1.964 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCn3cccc3[C@H]2c2ccccc2)CN1 95949613 NIEVKLQDIWRMEH-CRAIPNDOSA-N 323.396 1.946 0 40 DDAB Cc1nc(CN2CCCN(C(=O)[C@@H]3CCOC3)CC2)cs1 69655776 KOCSQKNREHOOOX-CYBMUJFWSA-N 309.435 1.522 0 40 DDAB CC(C)OCCOC[C@H](O)CN(C)CCOc1ccccc1 69702369 ZXPJDZYCEOSQDS-MRXNPFEDSA-N 311.422 1.800 0 40 DDAB COc1cccc(Cl)c1CC(=O)N(C)CCN1CCCC1=O 95943394 FPEMXKFCBLJQKU-UHFFFAOYSA-N 324.808 1.972 0 40 DDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72285772 GGCYPDIYVNEMKL-CQSZACIVSA-N 301.394 1.790 0 40 DDAB CCCc1cc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)sc1C 72290661 RIQSADRQVBBODF-OAHLLOKOSA-N 321.402 1.433 0 40 DDAB CN(Cc1cccn1C)C(=O)c1ccnc(O[C@H]2CCOC2)c1 97110729 ANZCRHGXYZLLEU-HNNXBMFYSA-N 315.373 1.860 0 40 DDAB O=C1CN(c2ccc(NC(=O)C3=CCCCC3)cn2)CCN1 97166055 PFZWVYYDOGEFFS-UHFFFAOYSA-N 300.362 1.457 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CCc2n[nH]nc2C1 97165120 OTMNASPQDWPTMB-UHFFFAOYSA-N 310.155 1.104 0 40 DDAB Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)Cn3cccn3)C2)c1 71185874 RUXCDTBKMIKVPJ-GJZGRUSLSA-N 301.394 1.888 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(N)=O)c1 9116152 FNJZQOZDZOJFNW-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB CN(CC1CCC1)C(=O)NCc1ccnc(N2CCOCC2)c1 95395137 SSROHRNQSOPRMJ-UHFFFAOYSA-N 318.421 1.860 0 40 DDAB COC(=O)[C@H]1C[C@H](OC)CN1CC(=O)N(C)C1CCCCC1 95397891 QDXVIBVFWRRIMO-UONOGXRCSA-N 312.410 1.040 0 40 DDAB O=C1C[C@@H](N2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1 110677802 WRYZXZTUYUUWRD-CRAIPNDOSA-N 314.385 1.427 0 40 DDAB Cc1nc(CN2CCN(c3ccnc(N(C)C)n3)CC2)cs1 336858426 YVQBRCLUHACFOF-UHFFFAOYSA-N 318.450 1.630 0 40 DDAB CCCNC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 24548577 MQCRRZYGYJBOPD-UHFFFAOYSA-N 301.394 1.965 0 40 DDAB Cc1cccc(OCCCNC(=O)[C@@H](NC(N)=O)C(C)C)c1 28728106 FTTLYPZMSKQSSL-AWEZNQCLSA-N 307.394 1.573 0 40 DDAB CC(C)c1nncn1CCN=c1nc(C(F)(F)F)[nH]s1 547762561 SJMMRDWRTRULFJ-UHFFFAOYSA-N 306.317 1.806 0 40 DDAB Cc1nnc2ccc(C(=O)N3CCO[C@@H](COC(C)C)C3)cn12 548439352 FCWMYVJFHNZPKN-CQSZACIVSA-N 318.377 1.304 0 40 DDAB CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2cncnc2)n1 72388433 WRYXGBNRPXEWSW-INIZCTEOSA-N 312.377 1.768 0 40 DDAB O=C(c1cnc2[nH]c(O)nc2c1)N1CCOC[C@@H]1CC1CCC1 568134750 GIHTYVNRYIHKPD-LBPRGKRZSA-N 316.361 1.695 0 40 DDAB Nc1cc(N)nc(SCCn2cc(Br)cn2)n1 78874775 GTOZZUCMGZSNHM-UHFFFAOYSA-N 315.200 1.392 0 40 DDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 33028087 IVVNWOROUBCVOJ-DOMZBBRYSA-N 319.357 1.628 0 40 DDAB CSCC[C@](C)(O)CNC(=O)c1cnc2ccccc2n1 75157456 KBCNZBAKJALDJJ-HNNXBMFYSA-N 305.403 1.864 0 40 DDAB COc1cn(CC(=O)NC2CCCCCC2)c(CO)cc1=O 79486035 YCSWVDGXPLKUHD-UHFFFAOYSA-N 308.378 1.188 0 40 DDAB C[C@H](CN(C)c1ncccc1S(N)(=O)=O)c1ccccc1 79037761 LODOKFTYFZKTOX-GFCCVEGCSA-N 305.403 1.969 0 40 DDAB Cc1cc(N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)ncn1 72379629 YEBUTWQZUYKCOC-MRXNPFEDSA-N 304.394 1.439 0 40 DDAB CCNc1ncc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cn1 226084237 WTCDRFUPLKMGDL-INIZCTEOSA-N 317.393 1.804 0 40 DDAB COc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1 224194707 ILGLFDZYVDCXAH-UHFFFAOYSA-N 322.390 1.030 0 40 DDAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@H]1CCCO1 226852853 OEIMIXRFHDGQRY-UKRRQHHQSA-N 315.373 1.935 0 40 DDAB COC(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccsc1)C1CC1 95397231 VSXXDLNRQQLIDT-AWEZNQCLSA-N 322.430 1.877 0 40 DDAB CN1CCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 96192892 SXNRKJMHXGCLGO-MRXNPFEDSA-N 321.808 1.997 0 40 DDAB COCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C[C@H]1C(=O)O 96069143 NCJZDXJPCXCTGA-CABCVRRESA-N 320.389 1.209 0 40 DDAB C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccc(F)cc1F 96413463 DCJLFARYPDRZJQ-MRVPVSSYSA-N 308.288 1.514 0 40 DDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)CC(C)(C)C)[C@H]2O)CC1 514289113 OVXKRGFYDWTILG-OFQRWUPVSA-N 312.454 1.399 0 40 DDAB biogenic,in-vitro CC[C@@](Br)(C(=O)c1ccc(N)cc1)S(C)(=O)=O 96518670 GMTDYWYEKRDRPU-NSHDSACASA-N 320.208 1.997 0 40 DDAB Cc1csc(CN2C[C@@H]3C[C@@H](CC(=O)NC4CC4)O[C@@H]3C2)n1 96208218 SCCFBZRLLZLYLS-FPMFFAJLSA-N 321.446 1.710 0 40 DDAB C[C@H](O)C[C@@H]1COCCN1C(=O)NCCCc1cccs1 97095071 KUAZHLRUPCJXFD-QWHCGFSZSA-N 312.435 1.862 0 40 DDAB CCN(CC)CC1CCN(S(=O)(=O)C2CCOCC2)CC1 96436434 KDEGXMJZQPIZPI-UHFFFAOYSA-N 318.483 1.549 0 40 DDAB COc1ccc(CC(=O)N2CC3(C[C@H](OC)CCO3)C2)cc1 247893127 BVOXTWOWOYORNI-OAHLLOKOSA-N 305.374 1.644 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCOC2=O)n1 257248807 JFHBNHDLLQUZHK-LLVKDONJSA-N 320.349 1.052 0 40 DDAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257287714 PRFCXXNABFMZNA-ZDUSSCGKSA-N 323.356 1.932 0 40 DDAB COCC(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257334260 YFENXEBLBCPOHP-MRXNPFEDSA-N 319.405 1.224 0 40 DDAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cnn(C)c2C)n1 257250717 JNTIEJFBQPLCSB-AWEZNQCLSA-N 316.409 1.442 0 40 DDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cc[nH]n4)C[C@@H]32)nn1 257302402 SCUIYKCPGWSFOR-VNQPRFMTSA-N 312.421 1.855 0 40 DDAB O=C(c1cccc(-n2cnnc2)c1)N1CCOC[C@H]1c1ccn[nH]1 257225768 FHSDIPFTHOEQGC-HNNXBMFYSA-N 324.344 1.204 0 40 DDAB Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257285020 PFGWHFGPJIZBKR-LBPRGKRZSA-N 307.379 1.272 0 40 DDAB COCc1nnc2n1CCN(C(=O)C1=CCCCC1)[C@@H](C)C2 585097559 LRRFFCCXYPHGOY-LBPRGKRZSA-N 304.394 1.698 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cccnc1OC)[C@H]2C 585097187 IJKXRXMAOFCYPX-LBPRGKRZSA-N 317.393 1.795 0 40 DDAB CCCCC(=O)N1CCn2cc(C(=O)NCCOC)nc2[C@H]1C 585096538 RYMGKMZRKHAOMZ-GFCCVEGCSA-N 322.409 1.353 0 40 DDAB COc1ccc(COCC(=O)N(C)c2cccnc2C)cn1 585123733 NDECMZGLMZZWIN-UHFFFAOYSA-N 301.346 1.973 0 40 DDAB Cc1cc(N2CCN(c3ncnc4[nH]ncc34)CC2)nc(C)n1 69193111 UXVQILHZCWDNHS-UHFFFAOYSA-N 310.365 1.086 0 40 DDAB NC(=O)c1ccc(CSc2nnnn2CC(F)(F)F)cc1 69454574 CVUOQCFWDCDUOI-UHFFFAOYSA-N 317.296 1.627 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(c2cccc(Cl)c2)CC1 30805264 BTQYLSXWAMQFDQ-GFCCVEGCSA-N 313.806 1.675 0 40 DDAB COCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1cc(F)c(F)c(F)c1 72275637 DINNQOWLDYFKAV-AMIZOPFISA-N 317.263 1.725 0 40 DDAB Cc1nc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)sc1C 78970940 AVFLAVIUFWLPNJ-LBPRGKRZSA-N 322.478 1.545 0 40 DDAB CO[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@H](CN)C1 195557536 FRNDECJAVCENBQ-VHSXEESVSA-N 317.183 1.620 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(C/C=C/c3ccccc3)C[C@]23C=C[C@H]1O3 4151742 NNUJCNWGCDEOES-RDKVXBEKSA-N 311.337 1.566 0 40 DDAB CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CCC[C@]3(COC3=O)[C@H]12 1772591720 MGKXQDVWRGLKTM-OMNBBPDLSA-N 320.341 1.525 0 40 DDAB O=C(O)[C@H](Cc1ccccc1)NC[C@@H](O)COc1ccccc1 5603579 OKPCGPWXKRZABC-WBVHZDCISA-N 315.369 1.712 0 40 DDAB CCOc1ccccc1C(=O)NCC(=O)N1C[C@H](C)O[C@H](C)C1 12895047 HZLXKGLKRKHWLA-BETUJISGSA-N 320.389 1.451 0 40 DDAB COc1ccc2[nH]cc(NC(=O)NC[C@@H]3CCCO3)c(=O)c2c1 13565904 FJCASRUJCDWHMS-NSHDSACASA-N 317.345 1.837 0 40 DDAB O=C1Nc2ccccc2O[C@H]1O[C@@H]1Oc2ccccc2NC1=O 16524913 PJUSHXHUNGUVQX-HOTGVXAUSA-N 312.281 1.717 0 40 DDAB O=C(CCC1CCCCC1)NN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 17055319 CLGZTQDXVYJPLL-NEBZKDRISA-N 320.389 1.541 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)C3(CCCC3)N=C2O)cn1 17296467 UPKVABXLHYRHJY-UHFFFAOYSA-N 318.333 1.098 0 40 DDAB CC(C)(C)OC(=O)COCCOCCOCCCCCCO 1848349803 RFJQECXXHSDFPN-UHFFFAOYSA-N 320.426 1.931 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(c3nc(C)ns3)CC2)n1 1889077225 PAFFRVFEWJOITM-UHFFFAOYSA-N 319.438 1.338 0 40 DDAB O=C([C@H]1CCCO1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 4165380 LRKRUIXXKFCZBL-ZIAGYGMSSA-N 307.371 1.509 0 40 DDAB CNC(=O)CSc1nccn1Cc1ccc2c(c1)OCO2 4248820 BGCXTQMYLQJWBD-UHFFFAOYSA-N 305.359 1.498 0 40 DDAB COC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373184 IPZUUTPHPQQELG-ZIAGYGMSSA-N 319.405 1.743 0 40 DDAB CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 4358401 SQWDSKXCOYEIDC-UHFFFAOYSA-N 313.386 1.819 0 40 DDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1 4302051 JZUZICLTWRNERB-UHFFFAOYSA-N 322.342 1.497 0 40 DDAB COC[C@@H]1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CN1C 2055837504 WFXWLMBRGJNWBV-INIZCTEOSA-N 319.449 1.907 0 40 DDAB O=C(N1CCCC1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 2055835627 YLDKOICQTSWXTQ-HNNXBMFYSA-N 307.438 1.922 0 40 DDAB O=C(/C=C/c1ccco1)NCC1CCN([C@@H]2CCOC2)CC1 575415599 GBQAVIRNBFUCEH-NHZBNJEXSA-N 304.390 1.910 0 40 DDAB NCCCCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2092568 MYBDPOHDPYQGSI-KGLIPLIRSA-N 303.406 1.313 0 40 DDAB biogenic COc1ccc(NC(=O)c2cccc(C)c2)cc1S(N)(=O)=O 6786985 YQDCEDXWKCTBIK-UHFFFAOYSA-N 320.370 1.903 0 40 DDAB C[C@@H]1CCCN(S(=O)(=O)NCc2cccnc2N(C)C)C1 40093736 YQMKPTSUPPZVQZ-GFCCVEGCSA-N 312.439 1.214 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(Cl)c2c(c1)OCCO2 40521540 LPRFETTVKVNATN-LLVKDONJSA-N 324.764 1.510 0 40 DDAB CCc1cccc(OCC(=O)NC2(C(N)=O)CCCCC2)c1 40538947 OTILFVJEDWUEGP-UHFFFAOYSA-N 304.390 1.932 0 40 DDAB Cc1nc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)cs1 32779221 DYMDQZXAEGBWPG-UHFFFAOYSA-N 324.841 1.799 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 41128721 USNRCVDAHAGIEY-LBPRGKRZSA-N 314.345 1.003 0 40 DDAB Nc1nccnc1C(=O)NCCc1ccc(OC(F)F)cc1 32860456 PFHMVYNOZXDRLD-UHFFFAOYSA-N 308.288 1.633 0 40 DDAB Cc1cc(=O)n2nc(NCCNc3ccccn3)sc2n1 32905151 WCLLFXUMYITLMJ-UHFFFAOYSA-N 302.363 1.378 0 40 DDAB COc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2cc1OC 423045 QCADTBMRCFWAID-UHFFFAOYSA-N 312.325 1.755 0 40 DDAB biogenic CCS(=O)(=O)CC(=O)Nc1ccc(F)c(NC(C)=O)c1 53002040 DXFMYVYQYKDKJD-UHFFFAOYSA-N 302.327 1.157 0 40 DDAB CN(Cc1ccco1)C(=O)Cn1nc(-c2cccs2)oc1=O 53064483 IEBBAFOIZKSUEM-UHFFFAOYSA-N 319.342 1.816 0 40 DDAB CCCn1[nH]cc/c1=N\C(=O)CN[C@H](C)[C@@H](C)n1cccn1 104031163 UEFSKCJULICGEI-KXRGCRLFSA-N 304.398 1.089 0 40 DDAB COC(=O)C(C)(C)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 23176400 YIOSIESZMWENTL-UHFFFAOYSA-N 318.329 1.021 0 40 DDAB O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCCCC1 104560593 XKUHTUSHTWEUBD-YXAMBPQSSA-N 316.401 1.633 0 40 DDAB CC(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)s1 23310975 PXKDWSYIARHJPD-GFCCVEGCSA-N 308.403 1.904 0 40 DDAB COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 204215 ZKBACHQFBAZJGF-WNRNVDISSA-N 318.369 1.913 0 40 DDAB O=C(NC[C@]1(O)CCSC1)c1cc(-c2cccs2)n[nH]1 78987146 ADUAIZCZEJGXRZ-CYBMUJFWSA-N 309.416 1.736 0 40 DDAB CCN1CCCC[C@H]1CNC(=O)NC[C@](C)(O)c1ccc(C)o1 78941609 ZKJFVSISXWAVGF-YOEHRIQHSA-N 323.437 1.969 0 40 DDAB Cc1nccn1CCCCNC(=O)N1CCC[C@H](N(C)C)C1 78953136 YLINVYCXCJOBBK-HNNXBMFYSA-N 307.442 1.707 0 40 DDAB CCN1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 43303942 FNNGTHKJYARVKK-HNNXBMFYSA-N 301.434 1.597 0 40 DDAB CS[C@@H]1CCC[C@@H]1N(C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 107064704 BFHVWZREVCXAFQ-YIYPIFLZSA-N 300.468 1.838 0 40 DDAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1 56333928 JIHWLMKAIKQVLD-UHFFFAOYSA-N 321.396 1.832 0 40 DDAB O=C(CN1CCN(c2ncccn2)CC1)NCC1CCCCC1 57563051 APQIXZCQUFPZTG-UHFFFAOYSA-N 317.437 1.295 0 40 DDAB COc1ccc([C@@H]2NC(=O)c3ccccc3-n3nnnc32)cc1 35615789 MLCUNDRCOSGYJK-AWEZNQCLSA-N 307.313 1.504 0 40 DDAB CC[C@@](C)(O)CNC(=O)Nc1cccc(-c2nnnn2C)c1 58167996 KPXTVUMOXGVTJW-CQSZACIVSA-N 304.354 1.160 0 40 DDAB Cc1cc(NC(=O)NCCNC(=O)CC2CCCCC2)n(C)n1 58180707 MCQQXANLKMDMNV-UHFFFAOYSA-N 321.425 1.937 0 40 DDAB COc1ccc([C@H](C)NS(=O)(=O)N2CCOCC2)cc1F 44896210 QSJYGMQAMYKLMP-JTQLQIEISA-N 318.370 1.062 0 40 DDAB O[C@H](COc1ccc(F)cc1)Cn1nnc(-c2cccnc2)n1 58282037 JFVXDJSPSJAQEY-ZDUSSCGKSA-N 315.308 1.314 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NCCc1ccc2c(c1)OCO2 44951998 FLHLBUMYFDJDCI-GFCCVEGCSA-N 316.361 1.542 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44913624 UCDYECZBAMITHU-AWEZNQCLSA-N 312.373 1.432 0 40 DDAB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@@H]1CCCO1 27883697 UHGBWQJZNUIKCN-DOMZBBRYSA-N 315.373 1.470 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)N2CCN(C=O)CC2)cc1 20035989 MLMYUEFBNASROG-LBPRGKRZSA-N 308.403 1.476 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 95419123 AASCDYYQNHEFSG-CQSZACIVSA-N 303.406 1.383 0 40 DDAB Cc1cc(C(=O)NCCNC(=S)Nc2ccccc2)nn1C 2736025 XADOMVTXBJOSOG-UHFFFAOYSA-N 317.418 1.445 0 40 DDAB COc1ccc(NC(=O)c2cc(C(=O)O)n(C)n2)cc1OC 2765173 YGTILMHGZPGRTR-UHFFFAOYSA-N 305.290 1.388 0 40 DDAB CC[C@](C)(CNC(=O)N(C)Cc1cc(C)on1)N1CCOCC1 46940309 DUUDLRGVSWVDFZ-MRXNPFEDSA-N 324.425 1.625 0 40 DDAB CC(=O)NCC(=O)NC1CCN(c2cc(C)ccc2F)CC1 97237016 BPYICILDWGJJRS-UHFFFAOYSA-N 307.369 1.355 0 40 DDAB O=C(NCc1cccnc1-n1cccn1)NC[C@@H]1CCCO1 47579710 HKVASTWJPCNAFC-ZDUSSCGKSA-N 301.350 1.246 0 40 DDAB Cc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 102964757 DTVDPKUKGAMLRK-XHWVFBAXSA-N 301.411 1.969 0 40 DDAB O=C(NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)NC1CCCCC1 84543974 NBFBOBWDLQFOHP-GJZGRUSLSA-N 323.437 1.788 0 40 DDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@H](C)C1 13115624 FAXNGEHCHUXDHL-GUTXKFCHSA-N 320.389 1.590 0 40 DDAB CCN(CC)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 65528620 KMZCWUFLYLADOX-LBPRGKRZSA-N 303.362 1.712 0 40 DDAB O=C(NC1CCCCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452527 VIPBFVVVFLBESH-UHFFFAOYSA-N 301.346 1.669 0 40 DDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306137013 QIYJRKFCWBLLHL-CYBMUJFWSA-N 305.378 1.623 0 40 DDAB Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)[nH]n1 96406485 LKFGXGZUUUHIKA-OAHLLOKOSA-N 312.373 1.986 0 40 DDAB NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 15315182 VNEBTLNRODZTDY-UHFFFAOYSA-N 312.322 1.095 0 40 DDAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCNC1=O 7192076 HCJHIGPATCXZEE-UHFFFAOYSA-N 322.321 1.520 0 40 DDAB Cn1c(CN2CCCC[C@@H]2Cn2cncn2)nnc1C1CC1 71876440 FXKAPTZJDALISY-CYBMUJFWSA-N 301.398 1.339 0 40 DDAB CCc1cc(N2CCC[C@H](N3CCCC3)C2)n2ncnc2n1 71811127 UJXSZPFYXXRBFE-AWEZNQCLSA-N 300.410 1.751 0 40 DDAB COc1cc(C)cc(C(=O)N2CCN(CC3CC3)CC2)c1O 69378644 FVMIVLVWWGLFBG-UHFFFAOYSA-N 304.390 1.877 0 40 DDAB C[C@@H](NCc1cnc(N2CCOCC2)nc1)[C@@H](C)n1cccn1 69372564 SHVAQJFCUQBIEB-ZIAGYGMSSA-N 316.409 1.249 0 40 DDAB CNC(=O)COc1ccccc1CN[C@H](C)Cn1cc(C)cn1 69463012 YUCNOSCUKXTBPG-CQSZACIVSA-N 316.405 1.495 0 40 DDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C)n(C)c1=O 69521167 BRQFRJWFNDQHMU-CVEARBPZSA-N 317.433 1.783 0 40 DDAB NC(=O)[C@@H](CNC(=O)Nc1ccncc1)Cc1ccc(F)cc1 69699127 WRRAHPASWZWDDN-GFCCVEGCSA-N 316.336 1.686 0 40 DDAB NC(=O)COc1ccccc1C(=O)NCc1cccc(O)c1 69772680 BORIHDKHPJXBTH-UHFFFAOYSA-N 300.314 1.186 0 40 DDAB CN1CCO[C@@H](CNCC(=O)N(Cc2ccsc2)C2CC2)C1 69879838 CPNKFKGQHRBHSH-HNNXBMFYSA-N 323.462 1.159 0 40 DDAB Cc1cc([C@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n[nH]1 84111074 WRPMWXQMCRHXHQ-LBPRGKRZSA-N 303.366 1.833 0 40 DDAB C[C@@H](C(=O)O)S(=O)(=O)Cc1cccc(Br)c1 19474406 YVZBJAQYFZPKSF-ZETCQYMHSA-N 307.165 1.837 0 40 DDAB in-vitro Cc1noc(C)c1C[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 72292362 YJVCKSCOCLHDHH-FZMZJTMJSA-N 317.393 1.925 0 40 DDAB CC(=O)NC1(C(=O)N[C@H]2CCc3nccn3C2)CCCCC1 97197637 QBXBRIQYOXSRJX-ZDUSSCGKSA-N 304.394 1.153 0 40 DDAB Cn1cc(CN2CCCC3(C2)OCCO3)c(-c2ccncc2)n1 97139035 QFXLIROWRMIYGP-UHFFFAOYSA-N 314.389 1.821 0 40 DDAB CC(=O)c1cc(C(=O)N2CCOC[C@@H]2c2cccn2C)n(C)c1 97143922 BSNVDVJHMALVID-MRXNPFEDSA-N 315.373 1.780 0 40 DDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCN(C)C1CC1 95956033 DPFBFEGSMABEJG-UHFFFAOYSA-N 317.418 1.733 0 40 DDAB Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 95961125 BLIDKCIBGBAJAY-UKRRQHHQSA-N 324.446 1.927 0 40 DDAB CCc1nc([C@H]2CCCN(c3ccc(C(=O)NC)nn3)C2)no1 74745432 NQOWJCOMVXYNLA-JTQLQIEISA-N 316.365 1.166 0 40 DDAB Cc1cc(C)c(C(=O)NC[C@H](O)Cc2ccccc2)c(=O)[nH]1 89568526 DVVXGHVVHYPFER-CQSZACIVSA-N 300.358 1.325 0 40 DDAB COc1ccccc1[C@@H](C)NC(=O)CNCCn1cccn1 75133257 YXDGMZCLSNRLTF-CYBMUJFWSA-N 302.378 1.359 0 40 DDAB Cc1cc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)no1 89605063 GKQFCNNMWAFJOV-UHFFFAOYSA-N 308.301 1.322 0 40 DDAB Cn1c(-c2ccccc2F)nnc1S(=O)(=O)Cc1ccon1 89741331 HDVXNOCYKHCTIW-UHFFFAOYSA-N 322.321 1.583 0 40 DDAB O=C(CN(CCO)Cc1cccnc1)Nc1ccc(F)cc1F 89793986 DHMCBFSGDUKVCA-UHFFFAOYSA-N 321.327 1.793 0 40 DDAB COC(=O)N(C)CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 89895868 JXEBZRUITKLRKS-GFCCVEGCSA-N 322.361 1.434 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O 89869807 YZZIACCBWUUUNF-MLGOLLRUSA-N 320.393 1.606 0 40 DDAB COc1ccccc1C1(CNC(=O)N2CCNC(=O)[C@@H]2C)CC1 75606903 BXLQYFFZVGDBEA-LBPRGKRZSA-N 317.389 1.257 0 40 DDAB COc1ccc(NC(=O)CNC[C@H](O)c2ccccc2)cc1 28616956 BEMIUPCFAYMTQN-INIZCTEOSA-N 300.358 1.957 0 40 DDAB O=C1C=C(C(=O)O)[C@@H]2C(C3CC3)=NN(c3ccc(F)cc3)[C@H]2N1 35655607 SQNLEOIJBHWJBY-UKRRQHHQSA-N 315.304 1.495 0 40 DDAB Cc1cccc(CCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 520574251 VDNAVQLDPBMSKX-HNNXBMFYSA-N 316.449 1.217 0 40 DDAB Cc1cc(C)nc(N2CCC(Cn3cc(C(N)=O)cn3)CC2)n1 72369190 OSAAQFIYGJFORC-UHFFFAOYSA-N 314.393 1.305 0 40 DDAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCO[C@H](C(=O)O)C1 532002203 IVKVXWANNRGLBH-HNNXBMFYSA-N 321.373 1.809 0 40 DDAB Cn1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)cc1=O 1535441850 GSFUSLPPDQYBKG-UHFFFAOYSA-N 312.304 1.962 0 40 DDAB C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)cc1Cl 79440599 KRGOSRHMOFVKHA-MRVPVSSYSA-N 309.218 1.976 0 40 DDAB CC(C)c1nnc(C2CCN(S(=O)(=O)N(C)C)CC2)o1 38904872 MTYIJPSQAACONR-UHFFFAOYSA-N 302.400 1.179 0 40 DDAB O=C(O)CN[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79391532 LISLRYFKTCKXTM-ZIAGYGMSSA-N 306.362 1.898 0 40 DDAB Cc1cnn(CCNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1 182729052 ZQKXGRBRSIRALP-AWEZNQCLSA-N 322.409 1.376 0 40 DDAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1)N1CCC(N2CCCC2=O)CC1 195542358 PCUVRMTXCCGVSU-BPUTZDHNSA-N 319.449 1.521 0 40 DDAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccncc2)CC1 226259490 VTYUXLJUNRACHQ-UHFFFAOYSA-N 311.389 1.668 0 40 DDAB O=C(NCc1cc(=O)[nH]cn1)c1cnc(Nc2ccccc2)nc1 82039349 IBYYPIQRDUNLFQ-UHFFFAOYSA-N 322.328 1.234 0 40 DDAB O=C(C1CC1)[C@H]1CN(C(=O)c2ccnn2C2CCCC2)CCO1 328699868 VWFTUKQIJBTDRS-OAHLLOKOSA-N 317.389 1.818 0 40 DDAB CC(C)CN1C[C@@H]2CN(C3CCOCC3)CCN2C(C)(C)C1 514289751 OJFZCSHMBTUFQS-QGZVFWFLSA-N 309.498 1.902 0 40 DDAB biogenic,in-vitro COCC(=O)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96048286 ARWKULONUSFJCM-HOCLYGCPSA-N 306.362 1.257 0 40 DDAB COC[C@H]1CN(Cc2cccnc2OC)Cc2cnn(C)c21 96198199 CYZNTLCLXRTRGM-CQSZACIVSA-N 302.378 1.570 0 40 DDAB Cc1cnc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cn1 97198878 ZRCMFEUPCZTCJD-NSHDSACASA-N 300.366 1.245 0 40 DDAB O=C(O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 98211119 SEGWDKUGXPSWJM-LLVKDONJSA-N 300.362 1.909 0 40 DDAB O=C(c1cnccn1)N1C[C@@H]2OCCN(CC3CCCC3)[C@@H]2C1 96248707 AMYABHOWNPIXCK-CVEARBPZSA-N 316.405 1.192 0 40 DDAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccco2)N1Cc1ccncc1 96055686 UUIVFEUSGSVOSN-UONOGXRCSA-N 311.341 1.690 0 40 DDAB CS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96046967 ZCNTWSCKSSRKQK-HNNXBMFYSA-N 309.435 1.329 0 40 DDAB O=C(NCC1CC1)c1cc2c(nc1NCC1CC1)CCNCC2 96260607 TZCZUOWYUYHAKV-UHFFFAOYSA-N 314.433 1.732 0 40 DDAB Cc1n[nH]c([C@@H]2C[C@@H]3CCN(C(=O)C4=CCCC4)C[C@H]3O2)n1 96070720 JAPKCPGKWSAYAO-MELADBBJSA-N 302.378 1.902 0 40 DDAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccc(N)cc1 96518631 FRVPJRFDQZWMPM-LLVKDONJSA-N 320.208 1.997 0 40 DDAB CCN1CC2(CCN(c3ncccn3)CC2)[C@@H](COC)C1=O 96205958 PLBAWAPCIMWOOU-ZDUSSCGKSA-N 304.394 1.188 0 40 DDAB Cc1cnc(N2CCC[C@]3(CCCN3CCN(C)C)C2)nc1 96046925 PNEFBPIYIQLNTA-KRWDZBQOSA-N 303.454 1.781 0 40 DDAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)o1 96184156 DMEJIAIAZISBML-LSDHHAIUSA-N 300.362 1.701 0 40 DDAB Cc1nc(CN2CCN(CC(=O)O)Cc3cccnc32)cs1 96260855 SYEZWFPEHBCUHM-UHFFFAOYSA-N 318.402 1.753 0 40 DDAB O=C(N[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1O)c1cscn1 257285729 PINRINVMQQSZFW-TZMCWYRMSA-N 321.377 1.257 0 40 DDAB CC(C)(C)c1ccc(C(=O)N2CC(N3C(=O)COC3=O)C2)cc1 252572604 ZMEUIKSSMCUKSW-UHFFFAOYSA-N 316.357 1.787 0 40 DDAB CNc1cncc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257200734 AERFSPWEMWYHGQ-ZDUSSCGKSA-N 319.390 1.439 0 40 DDAB COc1ccccc1[C@@H]1CN(Cc2cncn2C)CCN1C 257249998 JKOGCJYFJIGEDA-INIZCTEOSA-N 300.406 1.917 0 40 DDAB CNC(=O)CN1CCOC[C@@H](Cc2cccc3occc23)C1 257218132 DBZFHJVBZOXHMN-ZDUSSCGKSA-N 302.374 1.670 0 40 DDAB CN1CC[C@H](NC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2F)C1=O 252476786 BKUVLHDYSQQTRO-DRZSPHRISA-N 309.316 1.351 0 40 DDAB Cc1nc(NC[C@H]2CCCOC2)sc1S(=O)(=O)N(C)C 255188262 JCYKTYMVEYSPLU-SNVBAGLBSA-N 319.452 1.540 0 40 DDAB O=C(C1=Cc2ccccc2OC1)N1CCOC[C@H]1c1ccn[nH]1 257311341 UJACGAMBNAKTMD-HNNXBMFYSA-N 311.341 1.786 0 40 DDAB COCCc1cnc2n1CCN(C(=O)c1cc(OC)no1)[C@@H]2C 585097173 GKFVYUWTPVQEDL-SNVBAGLBSA-N 320.349 1.286 0 40 DDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2cc[nH]n2)CC1 69816075 OMTMIKISPCXTOZ-UHFFFAOYSA-N 316.409 1.535 0 40 DDAB CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 51381952 JWVWLTIMVIHESS-MLGOLLRUSA-N 324.352 1.532 0 40 DDAB O=C(Cn1ccccc1=O)Nc1ccc2c(c1)OC(F)(F)O2 40464894 FIDSHMNSIKRTOV-UHFFFAOYSA-N 308.240 1.809 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCCN([C@H]2CCOC2)CC1 1565521920 HIGSFELJBOSKCN-AWEZNQCLSA-N 307.394 1.157 0 40 DDAB CC(C)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5559545 ZSUBOAPIPYLHSH-UHFFFAOYSA-N 301.437 1.632 0 40 DDAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCNC(=O)C1 11462373 NDURTMWCIASIJF-VIFPVBQESA-N 313.304 1.047 0 40 DDAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCO)cc12 12291652 ZXBBXQUUMFQUFM-UHFFFAOYSA-N 316.336 1.243 0 40 DDAB NC(=O)c1cc2c(nc1N)CCN(C(=O)C1CCCCC1)C2 19700662 LBKOULSLMSWPBS-UHFFFAOYSA-N 302.378 1.228 0 40 DDAB CC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccncc3)C2)CC1 244933267 CJWDUEOZCNBBQO-MRXNPFEDSA-N 317.389 1.320 0 40 DDAB Cc1nc(N2CCN(c3nccn3C)CC2)c2ccncc2n1 1888922138 LIRJWDJLIXKCDU-UHFFFAOYSA-N 309.377 1.393 0 40 DDAB O=C1CN(C2CN(c3nc4cc(Cl)ccc4o3)C2)CCN1 1889098667 IVOGCOHHUHQOIB-UHFFFAOYSA-N 306.753 1.102 0 40 DDAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)c1c[nH]c(=O)[nH]1 238959672 YICGVKPQQJFKTN-XYPYZODXSA-N 302.334 1.218 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)C1(F)CCC1)CC2 1565551421 NAJGFTPQWZDOLN-UHFFFAOYSA-N 312.385 1.509 0 40 DDAB CC1CCC(C(=O)N2C[C@H]3CN(CCN(C)C)C(=O)[C@H]3C2)CC1 1565546153 WGFYAUMYVVMWNG-FJBKBRRZSA-N 321.465 1.291 0 40 DDAB CO[C@H](CCSC)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 1775969080 WSOKECWDMDAZQL-GXTWGEPZSA-N 324.446 1.748 0 40 DDAB O=C(NCCc1cccs1)c1nc(-c2cnccn2)no1 44122692 LVUDCTMJJNJKCS-UHFFFAOYSA-N 301.331 1.561 0 40 DDAB C[C@@H]1CN(c2ncnc3ncccc23)CCN1Cc1cnn(C)c1 2298050244 PPJGAMKCAJYNBT-CYBMUJFWSA-N 323.404 1.469 0 40 DDAB CCC(=O)N[C@@H]1C[C@@H](c2nc(COC)nn2C(C)C)CC[C@H]1O 2332241457 PYWPWJMYLWKZPU-YNEHKIRRSA-N 324.425 1.529 0 40 DDAB C[C@@H]1CN(C(=O)Nc2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 40526640 WRSKOZAHCFNYTF-GHMZBOCLSA-N 302.338 1.303 0 40 DDAB Nc1nccnc1C(=O)NCc1ccc(N2CCCCC2)nc1 40539502 JILNUQIZNRXZFE-UHFFFAOYSA-N 312.377 1.374 0 40 DDAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(CCO)CC1 21548620 NULGBLYCINFFPJ-INIZCTEOSA-N 322.449 1.160 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)c2n[nH]c3ccccc23)C1 22693581 JRAXDNRVKDAKKM-ZDUSSCGKSA-N 316.405 1.650 0 40 DDAB O=C1C(=O)N(CN2CCCCC2)C(=O)N1Cc1ccccc1 23381307 IJUAPUXUWPQQDE-UHFFFAOYSA-N 301.346 1.421 0 40 DDAB Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)n2ncnc2n1 23619324 WKEPPLDNJJBGIP-CHWSQXEVSA-N 304.398 1.344 0 40 DDAB Cc1ccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)c(C)c1 202855 GEZRLQMCDUFHNR-DZGCQCFKSA-N 320.389 1.854 0 40 DDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 106024479 MKAXFXKSKVRDKB-CRWXNKLISA-N 304.390 1.727 0 40 DDAB CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 43302566 OVINHSNIDOLQHM-AWEZNQCLSA-N 305.378 1.030 0 40 DDAB CN(C)C(=O)C(C)(C)NS(=O)(=O)Cc1ccc(F)cc1 78572001 SDTBYFDDMVDZLH-UHFFFAOYSA-N 302.371 1.112 0 40 DDAB O=C1NC(=O)[C@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1 1665214 ACFQAMIVTKFUQT-MOPGFXCFSA-N 320.348 1.940 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 79018914 SVZUEHYUPFPARQ-JKSUJKDBSA-N 309.454 1.042 0 40 DDAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCC2)n1 79050286 UOOHJYAPJDRFPR-UHFFFAOYSA-N 319.336 1.670 0 40 DDAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(C)n2N)cc1 25590412 YPUUJSYUDPQWPH-UHFFFAOYSA-N 320.378 1.049 0 40 DDAB NC1=NN(S(=O)(=O)c2ccc(Br)cc2)CC1 6536035 RQSXAPYGJOIXEN-UHFFFAOYSA-N 304.169 1.116 0 40 DDAB C[C@H](CN1CCOCC1)NC(=O)c1ccc(Br)o1 44317841 ZLSJXVVCNMXGCP-SECBINFHSA-N 317.183 1.493 0 40 DDAB NC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 57958504 CVHARKYIQWCMOP-VXGBXAGGSA-N 301.312 1.439 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c(C)c1 10044268 JYGYHMIXUJPWKX-HNNXBMFYSA-N 318.398 1.808 0 40 DDAB Cc1ccc([C@H](CNC(=O)c2ccc(=O)n(C)n2)N(C)C)cc1 58161171 FBGLPGCWZRXTJE-HNNXBMFYSA-N 314.389 1.121 0 40 DDAB Cc1n[nH]c(C)c1NC(=O)NC[C@@H]1COc2ccccc2O1 44945274 FGWNSZAPIOWGRE-LLVKDONJSA-N 302.334 1.988 0 40 DDAB Cc1ncc(CN(C)C[C@H](O)COC[C@@H]2CCCO2)s1 44974884 WRDBKMAOUORGOC-STQMWFEESA-N 300.424 1.440 0 40 DDAB CCN(CC)C[C@@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 58391451 RQQQWYLFAWKGRP-CYBMUJFWSA-N 301.394 1.727 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COCc1ccccc1Cl 58367361 MGNYLZDNPLXPTR-NWDGAFQWSA-N 324.808 1.969 0 40 DDAB O[C@H](Cn1nnc(-c2cccnc2)n1)c1cc(F)ccc1F 58313547 OTZUEGPCFSKUHW-CYBMUJFWSA-N 303.272 1.747 0 40 DDAB O=C1NCc2ccc(NC(=O)c3cccc4c3OCCO4)cc21 58748613 HKHMGZRHCQZORT-UHFFFAOYSA-N 310.309 1.954 0 40 DDAB COCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cc(F)c(F)c(F)c1 72275640 DINNQOWLDYFKAV-SDBXPKJASA-N 317.263 1.725 0 40 DDAB CN(C)C1(CNC(=O)c2cccnc2O)Cc2ccccc2C1 72295764 USIYPUJEXMLLHX-UHFFFAOYSA-N 311.385 1.616 0 40 DDAB Cn1cc(NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cn1 48085676 RYKFZCXLEJGBOJ-UHFFFAOYSA-N 324.344 1.669 0 40 DDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCO1 36701121 MIQFIAPHKARCNV-HUUCEWRRSA-N 316.357 1.547 0 40 DDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 29191550 QVWBBKVVWIPSPC-OAHLLOKOSA-N 322.430 1.329 0 40 DDAB C[C@H]1NC(C(=O)Nc2nccs2)=NN(c2ccccc2)C1=O 46016840 OMUIXGGDXHLFTN-SECBINFHSA-N 315.358 1.420 0 40 DDAB COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cc(F)c(F)c(F)c1 72275639 DINNQOWLDYFKAV-ISVAXAHUSA-N 317.263 1.725 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)C1 46938546 WYQWWDWNZZDUKE-KBPBESRZSA-N 301.390 1.623 0 40 DDAB O=C1CO[C@H]2CN(Cc3ccncc3)C[C@H]2N1c1ccccc1 67897061 GEZPQRAZUKNUDK-SJORKVTESA-N 309.369 1.698 0 40 DDAB biogenic,in-vitro Cc1ccccc1S(=O)(=O)N1CCC[C@]2(CCNC2=O)CC1 108531274 QJOLVBPATBQGGZ-INIZCTEOSA-N 322.430 1.676 0 40 DDAB O=C(NCc1ccc(N2CCOCC2)nc1)Nc1ccccn1 48287389 NSIHVAQBHGZVPG-UHFFFAOYSA-N 313.361 1.635 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N1CCSC[C@H]1CCO 95443863 LXUMKFDHCIZVQY-GFCCVEGCSA-N 319.423 1.623 0 40 DDAB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 12805203 ACVFVEZVHGBQAJ-UHFFFAOYSA-N 307.755 1.699 0 40 DDAB C[C@H](NC(=O)NCCc1cnn(C)c1)[C@@H]1COc2ccccc21 95437515 FYZHFTKOSGJURJ-WFASDCNBSA-N 314.389 1.827 0 40 DDAB C/C=C/Cn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 13512441 AELMSCHSHQMFKP-IWGCBNPKSA-N 308.407 1.890 0 40 DDAB CCN(CC)CCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 13689964 DHJLRMIXDBADEF-UHFFFAOYSA-N 302.378 1.564 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O 39918174 ASGXFNMOOYQPFX-CHWSQXEVSA-N 318.373 1.343 0 40 DDAB CC(C)c1nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)no1 65519056 ILNMCBCWHULZAR-GFCCVEGCSA-N 314.345 1.856 0 40 DDAB CCN(C(=O)c1cc(-c2ccccc2)on1)[C@@H]1CC(=O)NC1=O 65621738 ZJOZMWHHZUYRQX-GFCCVEGCSA-N 313.313 1.219 0 40 DDAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1cccnc1 14213375 YNZCOIMLSQQRBG-UHFFFAOYSA-N 302.309 1.659 0 40 DDAB COC[C@@]1(C)NC(=O)N(CCCOc2ccccc2C)C1=O 66082809 GIKBBIOFWXNLBL-MRXNPFEDSA-N 306.362 1.721 0 40 DDAB C[C@@H]1CN(C(=O)COC(=O)/C=C/c2ccccc2)C[C@@H](C)O1 5560530 WYKVOHIOXFVZAA-SJXIGLKTSA-N 303.358 1.879 0 40 DDAB O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N1CCC1 67771599 DDQFLXZSOUQCIE-UHFFFAOYSA-N 318.373 1.879 0 40 DDAB COc1ccccc1CCC(=O)N1CCN(C(=O)C2CC2)CC1 7989894 KIZWBXJNZPETOV-UHFFFAOYSA-N 316.401 1.709 0 40 DDAB CS(=O)(=O)NCCOC(=O)c1cc(Cl)ccc1Cl 71886041 DWXKFVFRNLPZSG-UHFFFAOYSA-N 312.174 1.699 0 40 DDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)s2)C1=O 8268957 WUDNJYLTPFIFQE-LLVKDONJSA-N 301.755 1.767 0 40 DDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCNc2ncccn2)c1 70004295 BAGXOTJXCNFCFV-AWEZNQCLSA-N 314.393 1.475 0 40 DDAB Cn1ccnc1CN1CCN(c2cnc3ccccc3n2)CC1 69348557 QJIWSGBZOMBRHL-UHFFFAOYSA-N 308.389 1.686 0 40 DDAB O=S(=O)(NCc1ccco1)c1ccc(Br)cn1 71914113 GIPRXYMPQUWMTI-UHFFFAOYSA-N 317.164 1.916 0 40 DDAB O=C(Cc1ccc(Br)cc1)NCc1ccc(=O)[nH]c1 71911488 FNUUTMBEVXRVGX-UHFFFAOYSA-N 321.174 1.996 0 40 DDAB Cc1cc(N(C)C[C@@H](O)c2ccc(F)cc2)n2ncnc2n1 69562571 DZCCGQZEJSGQAD-CYBMUJFWSA-N 301.325 1.742 0 40 DDAB O=C1CC[C@H](C(=O)Nc2ccc(OCc3cccnc3)cc2)N1 69780561 UKWHOEAXWYUSFQ-OAHLLOKOSA-N 311.341 1.878 0 40 DDAB O=C(NCCn1ccnc1)[C@@H]1CSCN1C(=O)C1CCCC1 69744589 JNUSMHVOQNDNAT-ZDUSSCGKSA-N 322.434 1.091 0 40 DDAB c1ccc(-c2nccc(N3CCO[C@H](Cn4cncn4)C3)n2)cc1 69810475 IFWIDZTXCDURAA-HNNXBMFYSA-N 322.372 1.641 0 40 DDAB CCOC(=O)c1nc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cs1 69811740 MRUZQEHNKQWSTI-UWVGGRQHSA-N 311.407 1.406 0 40 DDAB CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(C)=O 18255881 SOAHYZOJPZSYIK-QAETUUGQSA-N 324.380 1.871 0 40 DDAB CCOC(=O)c1cnn2c(=O)n(-c3ccc(Cl)cc3)nnc12 8757630 IXOKPAVPYISPDT-UHFFFAOYSA-N 319.708 1.105 0 40 DDAB O=C1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CCN1 84501576 MVMISUNWUMDQEX-LBPRGKRZSA-N 302.296 1.561 0 40 DDAB CC(=O)NS(=O)(=O)Nc1c(F)cccc1Br 97098497 LKBHNQLMAWMBQP-UHFFFAOYSA-N 311.132 1.381 0 40 DDAB Cc1ccn2/c(=N/C(=O)c3ccc4c(c3)CCC(=O)N4)[nH]nc2c1 88359271 KPOZXIUMOUJBTI-UHFFFAOYSA-N 321.340 1.597 0 40 DDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCOCC1 95946805 CCKUJBBLLOVULQ-MRXNPFEDSA-N 302.374 1.381 0 40 DDAB C[S@](=O)c1nncn1-c1nccc(OCc2ccccc2)n1 89599467 HIRLLLMHUCXFLH-JOCHJYFZSA-N 315.358 1.374 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccco2)cc1F 75156267 LOSMRVLIGQJOGJ-INIZCTEOSA-N 320.320 1.690 0 40 DDAB Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)n2)c(=O)[nH]1 75120594 ANRAJOXBOOOSHG-UHFFFAOYSA-N 309.329 1.194 0 40 DDAB Cc1nsc(N2CCN(CCC(=O)NC(C)(C)C)CC2)n1 89721382 NZYYCHDXCUWYNU-UHFFFAOYSA-N 311.455 1.273 0 40 DDAB O=c1[nH]c(-c2ccoc2)nc2sc3c(c12)CCS(=O)(=O)C3 89885143 MZMLAZCITSWPHB-UHFFFAOYSA-N 322.367 1.716 0 40 DDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cn3cccnc3n2)C1 75602487 RILZXCCDGSVQJX-CYBMUJFWSA-N 324.388 1.966 0 40 DDAB CCn1ncc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)c1C(F)(F)F 76051725 PTZMFHWNLZKGSS-MWLCHTKSSA-N 318.343 1.944 0 40 DDAB CCCn1nc(C(=O)N2CCC[C@H]2c2noc(C)n2)ccc1=O 76043235 JWJPAADKZBGQIJ-LBPRGKRZSA-N 317.349 1.322 0 40 DDAB CC(C)N1CCC[C@H](N2CC3(CCOCC3)CC[C@H]2CO)C1=O 528641171 RBOINLQFXLUUOK-HOTGVXAUSA-N 324.465 1.639 0 40 DDAB Cn1ccnc1CN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 77266905 JYNHAZZQBUTQFM-OAHLLOKOSA-N 317.437 1.675 0 40 DDAB biogenic,in-vitro Cc1c[nH]nc1[C@H]1CCN(C(=O)CN2CCCCCC2=O)C1 72386140 UAYQYVBGWHSPCY-ZDUSSCGKSA-N 304.394 1.437 0 40 DDAB CC(C)OC[C@H](O)CN1CCN(CCc2ccccn2)CC1 71279197 WOSHATPSRLJFHQ-QGZVFWFLSA-N 307.438 1.028 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2cccc(N(C)C)c2)[nH]n1 72330042 FFFHGOMQJFBXCM-UHFFFAOYSA-N 302.334 1.580 0 40 DDAB CCC(CC)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 26721896 BBXHLBGWNDFHFS-UHFFFAOYSA-N 316.409 1.448 0 40 DDAB Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1[C@]2(C)O 72320212 NBYCUUWXONETBY-KRWDZBQOSA-N 314.293 1.905 0 40 DDAB COCc1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)C(C)C)CC2 187300780 KJOUMPWHHRHKDI-LBPRGKRZSA-N 323.441 1.721 0 40 DDAB Cc1cc(NC(=O)CC2CCN(c3cccnn3)CC2)[nH]n1 72366501 VAXQROADDITCDX-UHFFFAOYSA-N 300.366 1.753 0 40 DDAB CCc1cnccc1CNC(=O)N1CC[C@@H]2CNC[C@@H]2CC1 563584123 JMSMMURNWZVAOT-IYBDPMFKSA-N 302.422 1.785 0 40 DDAB O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc2ccccc12 40169246 DQZDFAARQFFNCY-GXTWGEPZSA-N 302.355 1.535 0 40 DDAB COC[C@@H](C)NC(=O)CCc1nc(-c2cccc(OC)c2)no1 225825280 QHGSUJSLWVZSNT-LLVKDONJSA-N 319.361 1.829 0 40 DDAB CN1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1 223382024 GHCMEOJYKAMCMR-UHFFFAOYSA-N 302.418 1.945 0 40 DDAB Cc1sc(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)cc1[N+](=O)[O-] 195562617 ASQXOJMNWVQVMD-ZCFIWIBFSA-N 310.339 1.354 0 40 DDAB CCc1ncnc(N2CCC[C@H]2c2nc(C(N)=O)no2)c1F 195571415 XRCBPNGSPYRPON-QMMMGPOBSA-N 306.301 1.002 0 40 DDAB CC(C)N(C[C@H]1CCCN(CC(N)=O)C1)C(=O)OC(C)(C)C 48273912 ZKWFDPCSFAJGKP-ZDUSSCGKSA-N 313.442 1.829 0 40 DDAB COCCC1(c2noc([C@H]3CCCS3(=O)=O)n2)CCC1 574100030 LDSLBNNEMYABDZ-SNVBAGLBSA-N 300.380 1.778 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccccc1F)C2)C1CC1 96108416 WAAJSWJCDICEFS-QAPCUYQASA-N 318.392 1.800 0 40 DDAB CCOC[C@]12COC[C@H]1CN(C(=O)COc1ccccc1)C2 96108668 KROCEXFNKIHVQF-RHSMWYFYSA-N 305.374 1.577 0 40 DDAB C[C@@H](O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 96494412 RHUIAXMFJYZXLZ-KOLCDFICSA-N 313.195 1.525 0 40 DDAB O=C(CC1CC1)N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21 96057128 PSSKRRVKXYCQTG-LZWOXQAQSA-N 316.405 1.377 0 40 DDAB O=C(C[C@@H]1COC[C@H]2CN(C3CCC3)C[C@@H]12)N1CCCCO1 96065303 NLYTYKSPYBZBAG-FMKPAKJESA-N 308.422 1.677 0 40 DDAB CN(C)CCN1CC[C@@]2(CCCN(Cc3cccn3C)C2)C1=O 96223858 ROPWFXKHTGYRIK-GOSISDBHSA-N 318.465 1.401 0 40 DDAB CC(=O)NC1(C(=O)N[C@@H]2CCc3nc(C)cn3C2)CCCCC1 97198472 LBDPXNAWYCENGI-CQSZACIVSA-N 318.421 1.462 0 40 DDAB CC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)C2 96157117 LDBPEGXFTIYCTE-UHFFFAOYSA-N 322.430 1.710 0 40 DDAB COCC(=O)N1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 96047063 HWJBFNTZVVUYMO-QGZVFWFLSA-N 317.389 1.183 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(N)COC 242522191 ILLLMTZITQXMCB-YNEHKIRRSA-N 303.811 1.584 0 40 DDAB CS(=O)(=O)N1CCC2(CC1)CO[C@@H](Cc1cccnc1)C2 257238288 HKINMKBIMAUDQO-AWEZNQCLSA-N 310.419 1.455 0 40 DDAB CN1C(=O)C2(CCN(CC(=O)O)CC2)C[C@@H]1Cc1ccccc1 257312218 UMXKRLLPTCQCPA-HNNXBMFYSA-N 316.401 1.627 0 40 DDAB Cc1cc([C@H]2CCCCN2C(=O)Cn2cccn2)nc2nccn12 257244246 IKMFOEHYKRSKOP-OAHLLOKOSA-N 324.388 1.988 0 40 DDAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cncn2C)n1 257274184 NJWWXJZBLCOVQB-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB COc1ccccc1CC(=O)N1CCOC[C@@H]1c1ccn[nH]1 257259243 KXLVPJUBJGZFRY-CQSZACIVSA-N 301.346 1.561 0 40 DDAB O=C(NC1CCC1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575404747 OBAUUFMXRRPKDJ-CQSZACIVSA-N 302.378 1.235 0 40 DDAB O=C1C[C@H]2[C@H](CCN2C(=O)c2ccnc(F)c2)N1CC1CC1 585107656 JNZAZUZVEYGLDO-STQMWFEESA-N 303.337 1.446 0 40 DDAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 585095351 PSRNGLCEJAKBPB-AWEZNQCLSA-N 312.439 1.075 0 40 DDAB O=S(=O)(c1cccs1)N1CCCN(C2CCC2)CC1 828392509 HZHHSBSPVAVRPX-UHFFFAOYSA-N 300.449 1.997 0 40 DDAB Cc1nnc2n1CCN(C(=O)[C@H](OC[C@@H]1CCCO1)C(C)C)C2 69598080 ZRTUPMIBEOFLOZ-DZGCQCFKSA-N 322.409 1.149 0 40 DDAB CC[C@@H](C)n1ncc2c(C(=O)NCCNC(C)=O)cc(C)nc21 69618283 WBMUQOJYBVGQLV-LLVKDONJSA-N 317.393 1.577 0 40 DDAB O=C(NCC1(O)CCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 44158450 IYQNEZYOWCZFHE-ZDUSSCGKSA-N 302.374 1.461 0 40 DDAB Cc1cc(N2CCN(Cc3nc(C(C)C)no3)CC2)ncn1 1776009898 XTHWPYUNIYPJOM-UHFFFAOYSA-N 302.382 1.614 0 40 DDAB CC(C)(C)OC(=O)N(CCCNC(=O)c1cnccn1)C1CC1 53913414 ABDDRCCTDJDIPD-UHFFFAOYSA-N 320.393 1.996 0 40 DDAB C[C@@H]1C[C@H](Sc2nnc(N3CCOCC3)s2)C(=O)O1 49048911 UZQMRWWQCYXCBZ-SFYZADRCSA-N 301.393 1.171 0 40 DDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCO[C@H]2CCC[C@@H]21 56198009 XBXXMLAHTCKGDY-HOTGVXAUSA-N 312.369 1.851 0 40 DDAB CN1C[C@@H](C(=O)NCC(=O)c2cccc3ccccc23)CC1=O 95446642 FNZIMGHSXPVRDS-ZDUSSCGKSA-N 310.353 1.617 0 40 DDAB O=C(Cn1cnnn1)N1CCCc2cccc(OC(F)F)c21 98106567 NSMSZIKCKZABBT-UHFFFAOYSA-N 309.276 1.254 0 40 DDAB COC(=O)[C@@]1(N)CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 202268210 BCZLGBNPJVCMHB-BLLLJJGKSA-N 306.362 1.678 0 40 DDAB COC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)N(C)C1=S 8091397 NADIMGKXNNUMTB-AWTKBBGNSA-N 316.382 1.816 0 40 DDAB CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(=O)OCC 5324851 SYJZTNRTUQYBMO-UHFFFAOYSA-N 309.278 1.489 0 40 DDAB COc1ccccc1Nn1ccc2c(cnc3nc(C)nn32)c1=O 13638729 WFQOOSCYJLGWED-UHFFFAOYSA-N 322.328 1.631 0 40 DDAB CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 16575155 DGKABTAPTSLJGV-UHFFFAOYSA-N 316.398 1.609 0 40 DDAB O=C(c1ccccn1)N1CCCC[C@H]1c1ccnc2ncnn12 19400084 NPDHGGGJCFFIDZ-ZDUSSCGKSA-N 308.345 1.887 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19463196 ZNDKDDDFWCYFPL-UPJWGTAASA-N 301.390 1.552 0 40 DDAB CCCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CCC3 19818727 SLPYRCGHGIYJKY-UHFFFAOYSA-N 301.346 1.794 0 40 DDAB 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1.425 0 40 DDAB COc1ccc(N(C)C(=O)c2ccccc2-n2cnnn2)cn1 58270400 GYMUSFDNVDCUSJ-UHFFFAOYSA-N 310.317 1.343 0 40 DDAB Cc1cc(C=O)c(C)n1N(CC(=O)O)C(=O)c1ccccc1 9324261 QRVNMMSFDFWMPA-UHFFFAOYSA-N 300.314 1.780 0 40 DDAB CN1CCN(S(=O)(=O)c2cc(-c3ccno3)cs2)CC1 44901083 NTUQINUZRICYOR-UHFFFAOYSA-N 313.404 1.339 0 40 DDAB CN(C)[C@@H](CNC(=O)N1CCC(CO)CC1)c1cccs1 44966404 MZGMKXCELWOZOI-ZDUSSCGKSA-N 311.451 1.765 0 40 DDAB C[C@@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(N)=O 45090032 FMMXMYOHAHWESW-SECBINFHSA-N 302.421 1.044 0 40 DDAB COC(=O)NCC(=O)Nc1nc2cc(F)c(F)cc2s1 58779278 OVVZLSSPFNOGIS-UHFFFAOYSA-N 301.274 1.869 0 40 DDAB CCn1nc(C)c(CNc2c(NCCCOC)c(=O)c2=O)c1C 101664846 AAYAGQLKDVZWNX-UHFFFAOYSA-N 320.393 1.176 0 40 DDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1cnn(-c2ccccc2)c1 11562695 XEOSFVMIRKEZJA-CQSZACIVSA-N 315.377 1.181 0 40 DDAB CCc1ncncc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 45837783 MQTOVGPQYCQNKD-UHFFFAOYSA-N 312.251 1.998 0 40 DDAB COc1cc2nc(CN3CCO[C@H](C)C3)[nH]c(=O)c2cc1OC 29684122 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DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1CO 83752963 HFJCTNWWKDZRPA-WUVMZXDYSA-N 302.440 1.233 0 40 DDAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCCCCCC1 71802280 GWTAXUKEPGKGEU-LBPRGKRZSA-N 305.465 1.699 0 40 DDAB Cc1cc(NC(=O)CN2CCCC[C@@H]2Cn2cncn2)on1 71876273 CTVBBHJAJPCQOK-GFCCVEGCSA-N 304.354 1.068 0 40 DDAB O=C1CCCN1CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820005 AIXDRCAUNUSUFY-CQSZACIVSA-N 322.792 1.862 0 40 DDAB CC(C)CN(CCN(C)C)C(=O)COc1ccc(C(N)=O)cc1 71853852 RKSZIQSYWVWXIZ-UHFFFAOYSA-N 321.421 1.211 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1 16730855 HMGGPPZFOJTBAQ-NSHDSACASA-N 319.386 1.481 0 40 DDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)cc1 16732869 WOYAZSRZQZINKG-LLVKDONJSA-N 319.386 1.481 0 40 DDAB COCCN(C)CCCNC(=O)CCc1cccc(F)c1F 69350311 FTMSIQVUIMHHOE-UHFFFAOYSA-N 314.376 1.982 0 40 DDAB C[C@@H](CCc1cccc(F)c1)N1CCN([C@H](C)C(N)=O)CC1 97084406 KMZXYNVIGVNEBZ-UONOGXRCSA-N 307.413 1.638 0 40 DDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](n2cccn2)C1 69519400 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CCN1CCN([C@@H](C)CNC(=O)/C=C/c2ccc(C)nc2)CC1 95993685 HZUCTVPNVLQLAK-WAVCKPEOSA-N 316.449 1.545 0 40 DDAB O=C(N[C@@H]1CCCc2cn[nH]c21)c1cn(-c2ccccc2)nn1 95969393 UDXWLZGFRIHGFQ-CYBMUJFWSA-N 308.345 1.798 0 40 DDAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(=O)[nH]1 75124408 YHQQCOIENPJHPZ-UHFFFAOYSA-N 308.341 1.799 0 40 DDAB O=C(NCCN1CCOCC1)C1=Cc2cc(F)ccc2OC1 89807198 LRQZTXWBYDLNBF-UHFFFAOYSA-N 306.337 1.050 0 40 DDAB O=C(Cc1cc(Cl)ccc1Cl)N1CCN(CCO)CC1 75604925 MYHMWXBQVJUPNL-UHFFFAOYSA-N 317.216 1.672 0 40 DDAB CCS(=O)(=O)N1CCN(c2ccnc3cc(F)ccc23)CC1 75611429 JQGPXWHSICFICX-UHFFFAOYSA-N 323.393 1.846 0 40 DDAB COC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(O)n2)c1C 35587906 RLSSQWXWXRRZKL-UHFFFAOYSA-N 304.350 1.707 0 40 DDAB COc1ccccc1N1C[C@H](C(=O)NCc2ccco2)CC1=O 39918176 KSLKPCAFBBVSJG-GFCCVEGCSA-N 314.341 1.958 0 40 DDAB CCc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)s1 73840475 ZOHFCQDPYUQPHS-UHFFFAOYSA-N 309.376 1.549 0 40 DDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc2c(c1)OCO2 408729635 CVDQGPDMRVDOOQ-ZDUSSCGKSA-N 319.317 1.192 0 40 DDAB COC(=O)c1cn(C2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)nn1 184760025 CMCIZMPCKYPELV-IHRRRGAJSA-N 316.405 1.914 0 40 DDAB O=C(c1ccoc1)N1CCN(c2cnnc(O)c2Cl)CC1 26715794 FVMDZUNWZFWAPZ-UHFFFAOYSA-N 308.725 1.391 0 40 DDAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218559686 SPGUCVKARSNSDL-HRCADAONSA-N 321.373 1.455 0 40 DDAB COc1ccnc(CNC(=O)N2CCC[C@@](C)(OC)CC2)n1 566145273 HOILGPAXQIBNPG-OAHLLOKOSA-N 308.382 1.586 0 40 DDAB Cc1noc(C)c1CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1 182335495 AJMCAJZPONKYPW-ZDUSSCGKSA-N 323.393 1.976 0 40 DDAB Cc1noc(C)c1C(=O)NCCn1c(=O)oc2ccccc21 72342207 YBHZMFBTFIWUHA-UHFFFAOYSA-N 301.302 1.629 0 40 DDAB O=C(COc1ccc(F)cc1)NCC1(O)Cc2ccccc2C1 225714768 WCJXWABHYRGBDH-UHFFFAOYSA-N 315.344 1.851 0 40 DDAB Cc1ccc2c(cnn2CCC(=O)NCCN2CCOCC2)c1 40769051 FADWSDOBFJHMDN-UHFFFAOYSA-N 316.405 1.183 0 40 DDAB CCOc1ccc(NC(=O)C(C)(C)CNS(C)(=O)=O)cc1 225959205 XZJYZNIETBROBY-UHFFFAOYSA-N 314.407 1.599 0 40 DDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225081971 DQWBURJKRRWILZ-LLVKDONJSA-N 324.402 1.807 0 40 DDAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCOC 222975866 WAVNYLGOADHCHZ-CYBMUJFWSA-N 322.405 1.585 0 40 DDAB CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 46902003 CDUCSVUDNVEOQU-UHFFFAOYSA-N 313.398 1.428 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 224653708 WGBKNEZBNXBXRH-GYSYKLTISA-N 309.387 1.940 0 40 DDAB CCOCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 42646740 PWMSGQFHDPTDLG-UHFFFAOYSA-N 308.378 1.955 0 40 DDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCC(C)(C)C 225880188 HKZNNZRILAUGGU-UHFFFAOYSA-N 319.452 1.623 0 40 DDAB CCn1nncc1C(=O)NCc1cccc(Cn2ccnc2)c1 572305860 CLOKTWNQKBIJEC-UHFFFAOYSA-N 310.361 1.473 0 40 DDAB CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225373048 LNOGLVMTEMATOX-UHFFFAOYSA-N 301.437 1.779 0 40 DDAB C[C@H](NC(=O)NCCc1cc(F)c(F)c(F)c1)C(=O)N(C)C 195580097 HWNYOCILBOPLHM-QMMMGPOBSA-N 317.311 1.422 0 40 DDAB CCn1nc(C)cc1CNC(=O)COc1ccc2c(c1)OCO2 226745301 MNEBCPVRVDLONX-UHFFFAOYSA-N 317.345 1.635 0 40 DDAB CCc1ccc(O[C@H](CC)C(=O)NCCN2CCOCC2)cc1 222889650 VUIHEIXKLFRYNX-QGZVFWFLSA-N 320.433 1.855 0 40 DDAB Cc1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)s1 237038229 JPZPESIMVUWBMC-NSHDSACASA-N 324.402 1.452 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108722 IYHAYEARIAOLGP-IUODEOHRSA-N 308.403 1.658 0 40 DDAB O=C(NC[C@H](O)C1CCOCC1)[C@@H]1C[C@]12CCc1ccccc12 96436990 ZAXNLPDQHFTIDI-LNLFQRSKSA-N 315.413 1.794 0 40 DDAB CN(C)[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1cnn(C)c1 96200899 BHELCZQHIIGOPY-KGLIPLIRSA-N 304.373 1.101 0 40 DDAB Cc1ccc(N2CCO[C@H]3CN(c4nccs4)C[C@H]32)nn1 96081770 LFOSZNRFLXGYKM-NEPJUHHUSA-N 303.391 1.336 0 40 DDAB CC(C)NC(=O)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96042682 AEKPOKMTXDPRJD-ARFHVFGLSA-N 303.406 1.586 0 40 DDAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1COCCO1 96431378 UARLYJKKLYBUOE-CQSZACIVSA-N 308.765 1.895 0 40 DDAB CNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 257323324 WJRWHVPGGSVYCJ-GOSISDBHSA-N 317.433 1.737 0 40 DDAB CCc1nccn1CCC(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257321553 WCDSCOLIAZHBHZ-BBRMVZONSA-N 307.394 1.242 0 40 DDAB Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2cccs2)n1 257251400 JQPQIGYPNMMDCD-SNVBAGLBSA-N 313.404 1.542 0 40 DDAB O=S(=O)(c1cccnc1)N1CCO[C@@H](Cc2cccnc2)C1 257297999 RJRLTXUXEJXOCP-AWEZNQCLSA-N 319.386 1.109 0 40 DDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2scnc2C)n1 257320852 VYWGMLOWWCFONK-LLVKDONJSA-N 320.374 1.469 0 40 DDAB Cc1nc(CC(=O)N2CCOC[C@H]2c2[nH]ncc2C)cs1 257244167 IKEILUFFIUDKRR-LBPRGKRZSA-N 306.391 1.626 0 40 DDAB c1c[nH]c(CN2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)n1 257343021 ZRBWSJIXRBMGSI-AWEZNQCLSA-N 311.389 1.977 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)Cn3cc(C)cn3)CCO2)n1 257254656 KEDAKWNPYPKDNT-CQSZACIVSA-N 315.377 1.228 0 40 DDAB Cc1n[nH]cc1CN1CCC[C@@H]1c1cncc(CN(C)C)n1 257266061 MBKJYAPFIOYDIW-MRXNPFEDSA-N 300.410 1.907 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1(COC)C(=O)O 252515718 MZCUCTNIHYFXLW-BZPMIXESSA-N 316.350 1.444 0 40 DDAB O=C1CO[C@@H]2CN(c3ccncn3)C[C@H]2N1Cc1ccccc1 257312801 UPNWTWJKLLBXND-HUUCEWRRSA-N 310.357 1.093 0 40 DDAB O=C(NCCCO)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 298786412 KANFRNYMFKIUSD-UHFFFAOYSA-N 324.808 1.691 0 40 DDAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3c(c1)COC3)C2 575406612 ZFLGEFIAMOBQBP-OAHLLOKOSA-N 303.358 1.737 0 40 DDAB O=C(NCCNC(=O)Nc1ccncc1)Nc1ccncc1 65522530 HQAWNOWPQXCTPD-UHFFFAOYSA-N 300.322 1.420 0 40 DDAB Cc1cc(C(=O)NC/C=C/S(C)(=O)=O)c2ccccc2n1 585150680 CVGQMFMVVTUXGX-WEVVVXLNSA-N 304.371 1.831 0 40 DDAB O=C1C[C@@H](N(C(=O)CCc2cc(F)ccc2F)C2CC2)C(=O)N1 69515558 LLHDSXXIEVFMLY-CYBMUJFWSA-N 322.311 1.304 0 40 DDAB CCc1nc2n(n1)C[C@@H](NCc1nnc(C(C)(C)C)o1)CC2 69927917 WLSYWTQSLKSMPF-JTQLQIEISA-N 304.398 1.626 0 40 DDAB COc1ccc([C@H]2CCCN2CCS(C)(=O)=O)cc1OC 48052545 QEDHLUPDTGJNAA-CYBMUJFWSA-N 313.419 1.885 0 40 DDAB C[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1 53368749 YNOOJNWPKGSQNO-SNVBAGLBSA-N 324.427 1.929 0 40 DDAB NS(=O)(=O)c1cccc(NC(=O)NCc2cccc(F)c2)c1 75801592 QDTHFVBZUHZRNM-UHFFFAOYSA-N 323.349 1.795 0 40 DDAB Cc1cnc(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)nc1C 95978477 NSKXBHNREOALDX-NSHDSACASA-N 306.391 1.914 0 40 DDAB Cc1ccc(OCC(=O)NCCCNC(=O)c2ccco2)cc1 5015374 KZAATEPUZKJMAI-UHFFFAOYSA-N 316.357 1.903 0 40 DDAB O=C1Nc2ccccc2O[C@H]1O[C@H]1Oc2ccccc2NC1=O 16524917 PJUSHXHUNGUVQX-IYBDPMFKSA-N 312.281 1.717 0 40 DDAB Cc1nc(C)n([C@@H](C)CC(=O)N(C)CCN2CCCCC2)n1 19657148 UJAOCBOBRZLFHR-ZDUSSCGKSA-N 307.442 1.790 0 40 DDAB CC(C)Cn1c(SCC(=O)NC(N)=O)nnc1-c1ccco1 6790112 GOUNYTRYOJDRNG-UHFFFAOYSA-N 323.378 1.481 0 40 DDAB CN(C)c1cc(N2CCN(c3ncc(Cl)cn3)CC2)ncn1 1888842620 CESSZCSXZCQVBF-UHFFFAOYSA-N 319.800 1.313 0 40 DDAB O=C([C@H]1CN(c2nccc3occc23)CCO1)N1CCCC1 1889114098 DKIBOYYVPJHBKL-CQSZACIVSA-N 301.346 1.655 0 40 DDAB CC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)NC(C)C)c1 17306415 KDDBTBHMXQVZPR-UHFFFAOYSA-N 320.393 1.040 0 40 DDAB COCCN1C(=O)CCC12CCN(C(=O)c1cc[nH]c1)CC2 1565548424 CQMUERJAJPUDBK-UHFFFAOYSA-N 305.378 1.258 0 40 DDAB COc1ccnc(N2CCN(c3ncnc4ncccc34)CC2)n1 2086889184 LRIFWRGTKTYJCF-UHFFFAOYSA-N 323.360 1.150 0 40 DDAB CN([C@H]1CCCN(Cc2ccncc2)C1)S(=O)(=O)C1CC1 2086886963 KCSCIEJYNOHKRJ-AWEZNQCLSA-N 309.435 1.470 0 40 DDAB Cc1nnc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc23)s1 13578837 SJPBWLHLUARYBU-YFKPBYRVSA-N 321.391 1.632 0 40 DDAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2C[C@@H]1O 2332242919 ZXKBCLLRDBWGMO-FSDCSDTHSA-N 305.422 1.614 0 40 DDAB C[C@H]1CCCCN1S(=O)(=O)N[C@H]1COc2ccccc2C1 40105342 FZDAKZWUKDGDOQ-GXTWGEPZSA-N 310.419 1.699 0 40 DDAB Cc1oc(-c2ccccc2)nc1C(=O)NCCN1CCOCC1 40458961 GUMNVRLAFDKZPG-UHFFFAOYSA-N 315.373 1.712 0 40 DDAB COCCOCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 40548721 XRPWZEZTWKWBBS-GFCCVEGCSA-N 311.378 1.852 0 40 DDAB O=C(CNC(=O)c1ccccc1-n1cnnn1)Nc1ccccc1 40555172 UZEBDJGYOQDZSO-UHFFFAOYSA-N 322.328 1.031 0 40 DDAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cccnc1 21128577 ZTSPNKPTCBEILA-UHFFFAOYSA-N 304.375 1.623 0 40 DDAB C[C@H](OC(=O)c1cnccn1)C(=O)N1CCc2sccc2C1 22641137 OLFYLNWGQUPKPO-JTQLQIEISA-N 317.370 1.668 0 40 DDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C(=O)OC)c1 42229914 IAKZANMQSVETQQ-UHFFFAOYSA-N 320.389 1.850 0 40 DDAB CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 42880 LOPBZXUEPMRYGB-UHFFFAOYSA-N 313.361 1.098 0 40 DDAB COc1cc2c(cc1OC)CN(C(=O)CCn1cccn1)CC2 47666832 BSOMJODQRAFJEL-UHFFFAOYSA-N 315.373 1.875 0 40 DDAB Cn1c(C(=O)N2CCC[C@@H](C(N)=O)C2)cc(Cl)c1Cl 47719868 LBCJVUIPEMJFCI-SSDOTTSWSA-N 304.177 1.669 0 40 DDAB NC(=O)c1ccccc1COC(=O)CCCNC(=O)C1CC1 78583156 CQMLIRTWJJPDTA-UHFFFAOYSA-N 304.346 1.135 0 40 DDAB CC(C)N(CCNC(=O)c1ccc2c(c1)OCC(=O)N2)C(C)C 24986723 WCNGRROYSJCUHV-UHFFFAOYSA-N 319.405 1.866 0 40 DDAB CO[C@@H]1CCC[C@H]1OC(=O)CCn1cnc2ccccc2c1=O 78985782 HCWQLVOEEQMJGW-HUUCEWRRSA-N 316.357 1.897 0 40 DDAB CC(C)(C)[C@@H](Cn1cccn1)NC(=S)NC[C@H]1CCCO1 2770828 BQZPLNDTWPEGJJ-CHWSQXEVSA-N 310.467 1.941 0 40 DDAB C[C@H](C(=O)NCC1CCCCC1)N1CCO[C@@H](CN(C)C)C1 106787302 KNKXESBZFYPCNI-ZBFHGGJFSA-N 311.470 1.334 0 40 DDAB Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)N2CCOCC2)s1 106897165 AIIQLYZWBZRKNX-SNVBAGLBSA-N 319.452 1.330 0 40 DDAB Cc1c/c(=N\c2ccc3c(c2)c(N)cc(C)[n+]3C)nc(N)n1C 3954031 KMJWBVJQFGRCEB-UHFFFAOYSA-O 309.397 1.411 0 40 DDAB in-vitro C[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)[C@@H](c2ccccc2)CO1 107146034 GHXPOIJYGVKNKD-CZUORRHYSA-N 324.384 1.985 0 40 DDAB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H](C)NC(N)=O 56134931 FAXNHHINLJCJDM-VXGBXAGGSA-N 321.421 1.924 0 40 DDAB CN(C)CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O 4908036 BNWKOYWVMBDOGH-UHFFFAOYSA-N 308.769 1.865 0 40 DDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)c3ccccc3C)CCO2)n1 107323011 LKQNGQRUKNHEIB-LSDHHAIUSA-N 302.378 1.528 0 40 DDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCC1=CCCCC1 25969266 PQFVBFFSJRAPTR-CQSZACIVSA-N 314.451 1.807 0 40 DDAB NC(=O)[C@H]1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 48042508 KQWOWYBOMHVQJF-HOCLYGCPSA-N 315.417 1.378 0 40 DDAB CCCS(=O)(=O)NCCCc1cc2nc(C)cc(C)n2n1 57006780 XEEXAJFJEYTRJC-UHFFFAOYSA-N 310.423 1.608 0 40 DDAB C[C@@H]1Cc2cc(C(=O)NC(C)(C)C)ccc2N1S(C)(=O)=O 10324000 YVSOZXNJILZPEX-SNVBAGLBSA-N 310.419 1.926 0 40 DDAB O=C1CN(c2ncc(Br)cn2)[C@H]2CCCC[C@@H]2N1 89764586 GSALECBIUIJGBO-UWVGGRQHSA-N 311.183 1.487 0 40 DDAB COC(=O)[C@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O 8391615 MSMKDPBNULEUFZ-GZMMTYOYSA-N 309.343 1.594 0 40 DDAB O=C(NC1CC1)c1ccc(CNc2ncnc3[nH]cnc23)cc1 58158860 RCPAGZIPUAFZOQ-UHFFFAOYSA-N 308.345 1.857 0 40 DDAB CON(C)C(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C 36037293 PEWSKBHIUQDTKU-LBPRGKRZSA-N 318.370 1.148 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 58289276 GOLWTXVGQPFDAW-DTWKUNHWSA-N 300.305 1.373 0 40 DDAB NC(=O)CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1 58230850 HCBKWYUMXSSNFF-UHFFFAOYSA-N 306.316 1.120 0 40 DDAB NC(=O)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 3285666 SLIPBWCZHWIXDJ-UHFFFAOYSA-N 306.337 1.513 0 40 DDAB COC(=O)c1ccoc1COC(=O)CN(C)c1ncccn1 23199500 BQUSYDBEPPVAJG-UHFFFAOYSA-N 305.290 1.036 0 40 DDAB COc1cc(CO)cc(Cl)c1OCC(=O)N1CCOCC1 20377496 NBNQQOGCYAQZSQ-UHFFFAOYSA-N 315.753 1.079 0 40 DDAB NC(=O)c1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 11490499 JQGTVEQCWUCSAJ-UHFFFAOYSA-N 322.250 1.986 0 40 DDAB CS(=O)(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1 29525700 ANZUOCRIUSIPAH-UHFFFAOYSA-N 324.328 1.013 0 40 DDAB Cc1nnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)s1 29784774 JDKIHJVXIIGBTJ-SNVBAGLBSA-N 304.379 1.492 0 40 DDAB Cc1csc(=O)n1CC(=O)NCCO[C@@H]1CCCC[C@H]1C 47005009 FPECAHZWXMPGJL-DGCLKSJQSA-N 312.435 1.930 0 40 DDAB O=C(Nc1ncn(Cc2ccccc2)n1)c1nc2ncccn2n1 2808835 LWOBZPJYMCQQQY-UHFFFAOYSA-N 320.316 1.016 0 40 DDAB O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)CN(C(=O)[C@H]1CCOC1)C2 107806181 GCKHSNAVXSNTAV-MJBXVCDLSA-N 318.373 1.237 0 40 DDAB CN(Cc1ccccc1N1CCOCC1)c1ccc2nncn2n1 48346030 ANQGDJKNIOERIJ-UHFFFAOYSA-N 324.388 1.597 0 40 DDAB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NC1CCOCC1 67889764 TWRSPKKPSLLNPT-WBMJQRKESA-N 308.422 1.935 0 40 DDAB biogenic,in-vitro O=C(O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)s1 96191004 LNNDHIJOSCEJNN-UHFFFAOYSA-N 311.340 1.565 0 40 DDAB CCOC(=O)[C@@H](CCCN1C(=O)c2ccccc2C1=O)C(C)=O 5239383 XDGCOSMBEZEXSN-LBPRGKRZSA-N 317.341 1.831 0 40 DDAB NC(=O)Cn1cc(NC(=O)N2CCC[C@H]2c2ccsc2)cn1 65497792 WOEOHYYJLLVTPU-LBPRGKRZSA-N 319.390 1.799 0 40 DDAB Cc1noc(C)c1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 65540622 JUBVOOCNMGETQS-LBPRGKRZSA-N 305.378 1.699 0 40 DDAB CON(C)C(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 65592350 SNCPUJVLNZCLCA-LLVKDONJSA-N 323.418 1.818 0 40 DDAB CCOCCO[C@H](C)C(=O)Nc1ncn(Cc2ccccc2)n1 65520563 ATBPAKNKTVJOCR-CYBMUJFWSA-N 318.377 1.707 0 40 DDAB COc1ccc(CC(=O)NCC(C)(C)N2CCOCC2)cc1F 14119483 NMTBECFGRIZURN-UHFFFAOYSA-N 324.396 1.604 0 40 DDAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 14153163 XRQZBGQOAPSJQF-UHFFFAOYSA-N 304.371 1.912 0 40 DDAB COCCc1noc(CN2CCC[C@H]2c2noc(C3CC3)n2)n1 76047469 NTPNIRRTZXLNQH-NSHDSACASA-N 319.365 1.856 0 40 DDAB Nn1c(SCC(=O)NCc2ccco2)nnc1C(F)(F)F 6586808 BIIUCTHFSVCBCG-UHFFFAOYSA-N 321.284 1.012 0 40 DDAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)[C@@H]3CCCO3)cc2c1 9479061 UZQNWEJUQZPTCZ-HNNXBMFYSA-N 316.357 1.674 0 40 DDAB CCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 4815360 BVTDOTROSKUSHO-UHFFFAOYSA-N 300.380 1.732 0 40 DDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 4975910 XTRPJXMDZNKFGH-SECBINFHSA-N 324.406 1.414 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 7194896 UQFKJXGQZBPKCZ-SSDOTTSWSA-N 310.335 1.574 0 40 DDAB CC(C)c1cc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)n[nH]1 67732299 UUSKSIUCNIBWJT-LBPRGKRZSA-N 324.450 1.963 0 40 DDAB COC(=O)[C@H](C)CN(C)C(=O)c1cc(-c2cccnc2)on1 68083016 CYEGMXRFNDKRAT-SNVBAGLBSA-N 303.318 1.618 0 40 DDAB CCO[C@@H]1C[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 71818924 SEHWIDGNBAOHQG-CHWSQXEVSA-N 304.394 1.355 0 40 DDAB CCCCn1nnnc1CN1CCCC[C@H]1Cn1cccn1 71875223 PFOSQQITPFRXTL-AWEZNQCLSA-N 303.414 1.724 0 40 DDAB C[C@H](O)CN1CCN(C(=O)Cc2csc3ccccc23)CC1 71871288 XCTNRJCMSBCYJY-ZDUSSCGKSA-N 318.442 1.969 0 40 DDAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(=O)[nH]c1 8013356 MZCVBZUWGLDBAI-UHFFFAOYSA-N 300.343 1.934 0 40 DDAB O=C(NCCCc1cccc(F)c1)NCCN1CCOCC1 69044682 GZXXZTSXBVLKRS-UHFFFAOYSA-N 309.385 1.390 0 40 DDAB C[C@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O 71892711 VTAPDLROKKOJDJ-ZETCQYMHSA-N 319.342 1.142 0 40 DDAB CC(=O)c1c(O)cc(C)n(-c2ccc3[nH]c(=O)oc3c2)c1=O 16769754 KINWCBBMRSHSLC-UHFFFAOYSA-N 300.270 1.489 0 40 DDAB CCc1nnc2n1CCN(C(=O)Cc1noc3ccccc13)C2 69484930 WSNRWWLWWUINFL-UHFFFAOYSA-N 311.345 1.567 0 40 DDAB Cc1ccccc1CC(C)(C)NC(=O)N[C@H]1CCS(=O)(=O)C1 69696539 NNWVLWOAJYEEMU-AWEZNQCLSA-N 324.446 1.802 0 40 DDAB CC(C)(C)[C@@H](O)CN1CCN(C[C@@H](O)c2ccccc2F)CC1 69627637 BVGWDZBFVOJRJF-SJORKVTESA-N 324.440 1.884 0 40 DDAB CC(C)(O)CN1CCN(C(=O)Cc2noc3ccccc23)CC1 69917999 HFNZUGFIDBLLTO-UHFFFAOYSA-N 317.389 1.285 0 40 DDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1c(F)cccc1F 77938682 JITTWJUGAHNOMU-JOYOIKCWSA-N 312.316 1.571 0 40 DDAB O=C(CCNc1nc2ccccc2c(=O)[nH]1)NCc1ccccn1 97096856 UCNAARGTFDQVKU-UHFFFAOYSA-N 323.356 1.437 0 40 DDAB Cc1nn(C)c(C)c1CCNC(=O)Nc1cncnc1N(C)C 97083076 OPBWMAFDXLKLNL-UHFFFAOYSA-N 317.397 1.257 0 40 DDAB O=C(NCc1nccs1)N[C@@H]1CCN(c2ccccc2)C1=O 72274853 MIUZYYYFMHPNLH-GFCCVEGCSA-N 316.386 1.748 0 40 DDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)n1 72235182 UEOHPWYJDUSOHF-CYBMUJFWSA-N 301.350 1.061 0 40 DDAB CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCNC(=O)C1 97138392 NNJBZJSTBVDSCS-HOTGVXAUSA-N 318.417 1.558 0 40 DDAB Cc1cc(NC(=O)CCN2CCOC[C@H]2[C@@H]2CCCC2=O)no1 97163092 SFUWKSKPZOOUQB-STQMWFEESA-N 321.377 1.382 0 40 DDAB CC(C)[C@H](NC(=O)COc1cc(Cl)cc(Cl)c1)C(N)=O 72302868 HLGPIXAKFSRLGY-LBPRGKRZSA-N 319.188 1.998 0 40 DDAB Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1C 97234532 RKLQHZIMHZQPHN-HZPDHXFCSA-N 318.417 1.701 0 40 DDAB Cc1ccc(CN2C[C@H](C(=O)N3CC[C@](C)(O)C3)CC2=O)cc1 75093336 WMZZSXGWQGWCLX-QAPCUYQASA-N 316.401 1.327 0 40 DDAB Cc1cc(CN2Cc3cncn3[C@H](C(=O)NC(C)C)C2)n(C)n1 306140663 UZYQBQZCQYUYBC-HNNXBMFYSA-N 316.409 1.007 0 40 DDAB Cn1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cn1 9905450 BAKJGUJUORCEOX-UHFFFAOYSA-N 313.361 1.372 0 40 DDAB CN(C)CCN(C)C(=O)NCc1cccc(-c2cnn(C)c2)c1 95447924 SINJXSCEHQKOSG-UHFFFAOYSA-N 315.421 1.790 0 40 DDAB Cc1ccc2cccc(S(=O)(=O)NC[C@@H]3CCC[C@H]3O)c2n1 95441182 DDSPRPACNFWPNX-UONOGXRCSA-N 320.414 1.983 0 40 DDAB CCc1n[nH]c(=O)c(CNC(=O)NCc2cscn2)c1CC 95436892 FLSRBPKETRFBPA-UHFFFAOYSA-N 321.406 1.351 0 40 DDAB CC[C@H](C(=O)N[C@H](C)CC(=O)c1ccco1)N1CCCC1=O 95413761 ZALUKJVCDNYVCP-VXGBXAGGSA-N 306.362 1.758 0 40 DDAB Cn1cc(C(=O)N[C@@](C)(C(=O)O)c2ccccc2)ccc1=O 95424560 AZXVYTYWKSOQLA-MRXNPFEDSA-N 300.314 1.115 0 40 DDAB O=C(/C=C/c1c(F)cccc1F)N1CCOC[C@H]1c1ncon1 95453163 KIHXMWWTDVEWNN-IHVVCDCBSA-N 321.283 1.961 0 40 DDAB Cc1nc(Cl)cc(N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 95410434 AYMUHMCSEBDNQZ-VIFPVBQESA-N 320.784 1.644 0 40 DDAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2O)cc1 170549362 UQUIGNHLNPQBOF-UHFFFAOYSA-N 323.326 1.900 0 40 DDAB O=C(c1cccs1)c1c2[nH]c(=O)[nH]c(=O)c2c2ccccn12 27788866 QNLJJFVTWBDFEG-UHFFFAOYSA-N 311.322 1.762 0 40 DDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC[C@@H](N2CCCC2)C1 175919617 NMGCVAGOUIGZRR-IAGOWNOFSA-N 323.481 1.476 0 40 DDAB O=C(c1ccccc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@@H]2C1 67897404 ISVKNQLPVAVQPC-SJORKVTESA-N 322.364 1.943 0 40 DDAB biogenic,in-vitro CCCCn1nnnc1COC(=O)c1ccc2c(c1)OCO2 32741547 ILRUNCFBNULFNB-UHFFFAOYSA-N 304.306 1.559 0 40 DDAB CC(=O)Nc1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)cc1 70971368 LCDRQJRXGKWNFU-UHFFFAOYSA-N 318.373 1.870 0 40 DDAB COCCc1noc(CCCN2C(=O)c3ccccc3C2=O)n1 225527613 JMDYPAHIZMDBBJ-UHFFFAOYSA-N 315.329 1.487 0 40 DDAB Cc1nc(S(=O)(=O)NCCNC2CCCCCC2)cn1C 133530191 JYQXWXIPFFSTKR-UHFFFAOYSA-N 314.455 1.319 0 40 DDAB O=C(NC[C@@H](O)CN1CCCCC1)c1c(F)ccc(F)c1F 195567578 UYCFUNHCYBWSSE-SNVBAGLBSA-N 316.323 1.681 0 40 DDAB CC(C)n1cc(NC(=O)NC[C@H]2CCNCC2(F)F)cn1 572822905 OGRPTBMVLLKGRS-SNVBAGLBSA-N 301.341 1.830 0 40 DDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)nn1 225431340 JRZTZAHZQWHPSB-GFCCVEGCSA-N 320.374 1.022 0 40 DDAB C[C@H](Sc1nnc2n(C)c3ccccc3n12)C(=O)N(C)C 80306092 HELVTUYFLKXNEA-VIFPVBQESA-N 303.391 1.790 0 40 DDAB CCn1nc(C)cc1CNC(=O)c1ccc(-n2cnnn2)cc1 226746603 ZYNVFAQRYBTADL-UHFFFAOYSA-N 311.349 1.117 0 40 DDAB c1csc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)n1 96185801 DLEHYVDMSOAQFD-KCQAQPDRSA-N 309.435 1.207 0 40 DDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(-n2cccn2)n1 96449508 QLALEPJAFGHQCM-WBVHZDCISA-N 320.352 1.655 0 40 DDAB COCC(=O)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96100371 ZRVOHLJVTTZHTM-BQFCYCMXSA-N 316.401 1.262 0 40 DDAB Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3Cc2cccc(F)c2)cn1 96184172 XTOFJRJFBHCMAJ-CVEARBPZSA-N 314.364 1.939 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158288 DRBDABWEWYXSFO-CQSZACIVSA-N 310.423 1.119 0 40 DDAB CN(C)c1ccc(C(=O)N(CCO)Cc2cccnc2)c(F)c1 96486070 IODARSTVRDHXEA-UHFFFAOYSA-N 317.364 1.921 0 40 DDAB Nc1nccnc1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 96495289 JHBOYWKVFVZTBK-LLVKDONJSA-N 302.309 1.842 0 40 DDAB CCOC[C@@H]1CN(Cc2cccnc2OC)Cc2cnn(C)c21 96198245 HHGHPJNDXJUICJ-HNNXBMFYSA-N 316.405 1.960 0 40 DDAB C[C@@H]1NC(=O)COC12CCN(C(=O)Cc1ccsc1)CC2 96201497 ZDBNCJFQNISLGV-NSHDSACASA-N 308.403 1.187 0 40 DDAB O=C(NCC1CC1)[C@@H]1CCC2(CN(Cc3cccnc3)C2)O1 96239489 COQDPYZWDYGWML-HNNXBMFYSA-N 301.390 1.341 0 40 DDAB c1coc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)c1 96052054 YRMDAMPUCRGRNC-NVXWUHKLSA-N 317.389 1.784 0 40 DDAB Cn1ccnc1CN1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96219330 OTZXIKGJZVAACH-BBRMVZONSA-N 314.393 1.056 0 40 DDAB COC[C@@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 96440056 BYYUQHHXIGQVMG-HNNXBMFYSA-N 310.369 1.815 0 40 DDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(CC1CC1)C2 96050298 XBWZRLRBHUMFIQ-GOSISDBHSA-N 317.408 1.959 0 40 DDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 96181175 YUGARJLSXIBPGF-DOMZBBRYSA-N 323.462 1.726 0 40 DDAB Cn1ccnc1CN1CC[C@H]2OCCN(CC3CC3)[C@@H]2CC1 96249310 FKIFHMHNOSPOFO-HZPDHXFCSA-N 304.438 1.495 0 40 DDAB CC(C)C(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C 96238200 FRBMHYVJCBYCIF-MRXNPFEDSA-N 321.446 1.654 0 40 DDAB CCCN1CCc2c(cnc(N3CCOCC3)c2C(=O)O)C1 96189221 VXKZHRQTYDJAOK-UHFFFAOYSA-N 305.378 1.385 0 40 DDAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1)C2 96039359 YATAQQMAIUQXJY-GDBMZVCRSA-N 305.378 1.524 0 40 DDAB CN(C)C[C@@H]1CN(C(=O)c2cccs2)Cc2nccn2C1 96059186 RXRDMKKZJJITEZ-LBPRGKRZSA-N 304.419 1.778 0 40 DDAB c1cnc(O[C@H]2CO[C@]3(CCN(C4CCOCC4)C3)C2)nc1 96072574 ZHMRKPPWRDNKIW-GDBMZVCRSA-N 305.378 1.268 0 40 DDAB O=C(NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)N1CCCN(C(=O)C2CC2)CC1 249085915 FKSOVYDGYFHMFM-AJNGGQMLSA-N 317.433 1.685 0 40 DDAB CCc1noc(CCC(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)n1 257244796 IMVLQKRICNUGIC-LLVKDONJSA-N 319.365 1.196 0 40 DDAB NC(=O)c1cnc([C@@H]2CCCN2C(=O)Cc2cccnc2)s1 257339780 ZDDHAIZCNVZKRZ-NSHDSACASA-N 316.386 1.543 0 40 DDAB Cc1cccc(N2CCC[C@@H](N(C)CC3(O)CCOCC3)C2)n1 257293582 QQFMSXGULHLBAA-MRXNPFEDSA-N 319.449 1.832 0 40 DDAB CN1CCCc2cc(NC(=O)C(=O)NCc3ccncc3)ccc21 64574217 QVGKIRQZHPFCRA-UHFFFAOYSA-N 324.384 1.719 0 40 DDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)n1 257298073 RJZWCLADEJFKPW-CQSZACIVSA-N 301.394 1.704 0 40 DDAB O=C(c1ccncn1)N1CCC2(CC(Nc3ccncn3)C2)C1 257229437 FYDCHRAFMHHSQF-UHFFFAOYSA-N 310.361 1.373 0 40 DDAB CC(C)c1nccn1CCC(=O)N1CCOC[C@H]1c1ccn[nH]1 257250545 JMYSNEGNLJGYRN-AWEZNQCLSA-N 317.393 1.720 0 40 DDAB Cc1nccc([C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)n1 257253552 JZIXSUPMOUKEHO-AWEZNQCLSA-N 316.405 1.504 0 40 DDAB Cn1cc(CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cn1 257275167 NOEJJCUNBMCPEN-IRXDYDNUSA-N 319.380 1.964 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257330369 XOCDCYDTHHTCAU-CYBMUJFWSA-N 318.402 1.693 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 257239607 HQCLNPYKNVCPGT-GOSISDBHSA-N 316.401 1.543 0 40 DDAB CC(C)C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 575403247 GAMVLPWTZUFKAD-MGPQQGTHSA-N 322.430 1.607 0 40 DDAB O=S1(=O)CC[C@@H](NCCNCc2ccccc2Cl)C1 575423214 ZIXFIDGICCTSND-GFCCVEGCSA-N 302.827 1.206 0 40 DDAB COc1cc(F)c(S(=O)(=O)N(C)CCC(=O)O)c(F)c1 677645064 HVNQGRACRJVBGG-UHFFFAOYSA-N 309.290 1.069 0 40 DDAB C[C@@H]1C[C@H]1c1ccc(CNC2CCN(S(C)(=O)=O)CC2)o1 30656982 KZSUYVXWPULWCT-BXUZGUMPSA-N 312.435 1.917 0 40 DDAB CC(C)(C)c1noc(CCCC(=O)N2CCNC(=O)CC2)n1 71839527 REFSFZKNPQCLGW-UHFFFAOYSA-N 308.382 1.038 0 40 DDAB C[C@H](Sc1nncs1)C(=O)NC[C@@H](O)c1ccccc1 48911797 PVBACJOLUDRCHH-GXSJLCMTSA-N 309.416 1.869 0 40 DDAB CN(C[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 49914627 HTBPJPORZGAPAQ-ZWNOBZJWSA-N 305.346 1.117 0 40 DDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@H]2CCC[C@@H]21 53372498 PDFZPAMEEMVHDK-KBPBESRZSA-N 303.358 1.780 0 40 DDAB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccc(F)cc2n1 40508596 OKFZWYILCJSCQT-LLVKDONJSA-N 322.361 1.599 0 40 DDAB Cc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c(=O)[nH]1 75118429 ILSSTSDWZQHJDW-INIZCTEOSA-N 311.385 1.812 0 40 DDAB CC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)c1c(C)nn(C)c1C 81261892 YTSFNRKIDJGCCC-KGLIPLIRSA-N 320.437 1.861 0 40 DDAB Nc1cc(CCCNC(=O)[C@H]2CCCO2)nn1-c1ccccc1 84569513 IRGSAGIUICBBSW-OAHLLOKOSA-N 314.389 1.682 0 40 DDAB Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H](CC(=O)O)C2)c1 91294118 YWYDGSCNADYSHW-LBPRGKRZSA-N 313.375 1.168 0 40 DDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C 42676958 JQNPXLDKEAPIKO-LBPRGKRZSA-N 315.366 1.850 0 40 DDAB CN(CC(=O)NCC(F)(F)F)C[C@H]1COc2ccccc2O1 12978735 QRVPHQYYYUKJIA-JTQLQIEISA-N 318.295 1.437 0 40 DDAB COCCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19590667 XMSNMZSIFHFNLL-UHFFFAOYSA-N 318.421 1.207 0 40 DDAB CC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169341508 IMUKUNYFDMSYGJ-DGAVXFQQSA-N 301.298 1.482 0 40 DDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccco1 206734473 SWODYYGVIJCFIE-UHFFFAOYSA-N 317.349 1.225 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 225808459 RCOZAKRMOWEYNQ-CHWSQXEVSA-N 303.362 1.821 0 40 DDAB O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccccc1 7735899 DBKXKCKMYNFPBE-UHFFFAOYSA-N 307.353 1.755 0 40 DDAB Cc1noc([C@@H]2C[C@H](F)CN2c2ncnc3c2cnn3C)n1 585146122 KSLYYFJDADIVRD-WPRPVWTQSA-N 303.301 1.344 0 40 DDAB Cc1ccc(N2CC(N(C)C(=O)Cc3c(C)noc3C)C2)nn1 1888844599 MRNOZZNPTGUJFI-UHFFFAOYSA-N 315.377 1.280 0 40 DDAB CN1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 38572961 GZPXWBFNKNKZNQ-UHFFFAOYSA-N 304.362 1.585 0 40 DDAB CC(C)/C=C/C(=O)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223643 XMGVZAZVKSCRRV-KXLSMFKISA-N 301.390 1.710 0 40 DDAB O=C(N1CCC2(CC1)CCN(c1cncnc1)C2=O)C1(F)CC1 1565544302 HRKVJAIKSWQJDX-UHFFFAOYSA-N 318.352 1.324 0 40 DDAB CCN1CCO[C@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@H]2C1 1565550631 GBCQEHYFKPDMJS-AAEUAGOBSA-N 302.365 1.601 0 40 DDAB O=C(Cc1cccc(F)c1)N1CCC2(CCCNC2=O)CC1 1565543205 VGAWFHQXMZLLJO-UHFFFAOYSA-N 304.365 1.887 0 40 DDAB CC(C)N1C[C@@H](C(=O)NCc2cccnc2)C[C@H]2OCC[C@H]21 2055746380 WADOAUHOTKXBPL-ARFHVFGLSA-N 303.406 1.586 0 40 DDAB O=C(C1CN(c2nc3ccc(Cl)cc3o2)C1)N1CCOCC1 2298210827 QAZUBRODZRLDMC-UHFFFAOYSA-N 321.764 1.776 0 40 DDAB CNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 40267058 MKTLCWIBPVCKKM-UHFFFAOYSA-N 300.240 1.277 0 40 DDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl 40497133 QWXOKPALMCEEOE-MRVPVSSYSA-N 305.758 1.644 0 40 DDAB NC(=O)[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)CCO1 50859890 OGPIDURRRDPKMC-INIZCTEOSA-N 323.352 1.647 0 40 DDAB CN(C)C(C)(C)CNC(=O)c1csc(-c2cnn(C)c2)n1 40553415 QQKUEIIYNZHINW-UHFFFAOYSA-N 307.423 1.614 0 40 DDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccncc1 40505202 PLCBPVDWKDHRKP-CYBMUJFWSA-N 313.423 1.004 0 40 DDAB CCOC(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1 260908 HFDPSTPLJKTNGE-UHFFFAOYSA-N 322.361 1.375 0 40 DDAB NC(=O)[C@@H]1CCCN1CC(=O)NCCCSc1ccccc1 32751349 GDWABBHCZBMHPK-AWEZNQCLSA-N 321.446 1.235 0 40 DDAB C[C@@H](NC(=O)NCCOc1ccc2c(c1)OCO2)[C@H]1CCCO1 41375763 HOGVVPVCTIEOCO-DGCLKSJQSA-N 322.361 1.661 0 40 DDAB COC(=O)c1cc(Br)c(=O)n(-c2cc(C)on2)c1 521933 GGHWSPNMKWTGLF-UHFFFAOYSA-N 313.107 1.683 0 40 DDAB aggregator COc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2ccccc2)cc1 576572 OXFPKOUWULSQGH-CABCVRRESA-N 311.341 1.169 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)NCc2cccs2)C1 53250271 LGDPYHPMEGBTRJ-ZDUSSCGKSA-N 311.451 1.904 0 40 DDAB CC(=O)N[C@@H](CC(=O)N1CCO[C@H](C)C1)c1ccc(C)cc1 22281853 XCMWMNFNZKUSCF-CJNGLKHVSA-N 304.390 1.810 0 40 DDAB OCCN1CCN(Cc2cc(Cl)cc3cccnc23)CC1 42122033 VUAYDZWIOWCQPP-UHFFFAOYSA-N 305.809 1.998 0 40 DDAB COC(=O)[C@H](OC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1ccccc1 22989407 INATUWVPZNUQOY-DGCLKSJQSA-N 321.373 1.995 0 40 DDAB O=C(NCc1cccnc1)N[C@H]1CCCN(c2ncccn2)C1 42895114 IHDYDQQURUMANH-AWEZNQCLSA-N 312.377 1.340 0 40 DDAB O=C(NCc1ccccc1CN1CCCC1)c1ccc[nH]c1=O 24190333 CEHPGEUZMLIKQR-UHFFFAOYSA-N 311.385 1.901 0 40 DDAB Cc1cc2n(n1)[C@@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N2 1160866 UUONNMIEVWELAI-BQBZGAKWSA-N 305.178 1.465 0 40 DDAB Cn1cc(CCNC(=O)N[C@H]2CCN(c3ccccc3)C2)cn1 78789835 UTIRHCILQKMXTE-HNNXBMFYSA-N 313.405 1.541 0 40 DDAB c1cnnc(NC[C@@H]2CN(CCN3CCCCC3)CCO2)c1 78893747 NWHVTTIBRPZNNK-OAHLLOKOSA-N 305.426 1.075 0 40 DDAB O=C(CN1CCCC1=O)Nc1ccccc1N1CCOCC1 12533801 RNRRHQIYSHGSHU-UHFFFAOYSA-N 303.362 1.084 0 40 DDAB CCOC(=O)C(=O)N[C@@H]1CC=CC[C@@H]1c1ccc2c(c1)OCO2 1711690 IJDUZLOVTWEQOA-CHWSQXEVSA-N 317.341 1.897 0 40 DDAB c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 2512488 XTPTVAPEXHUUDR-UHFFFAOYSA-N 302.426 1.087 0 40 DDAB CCOCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC 6656204 PSXVXMQBKZPBBA-UHFFFAOYSA-N 314.769 1.830 0 40 DDAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C(N)=O 26755283 IGSFUTCHCKOOII-UHFFFAOYSA-N 324.358 1.208 0 40 DDAB O=S(=O)(NCCCCn1ccnc1)c1ccc(Cl)nc1 44353344 DWHXIBWPQKWMED-UHFFFAOYSA-N 314.798 1.690 0 40 DDAB Cc1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1C 58167258 HVEMTNJRVYUVPX-UHFFFAOYSA-N 311.407 1.413 0 40 DDAB Cc1cc(NC(=O)CN2CCN(C)c3cc(F)ccc32)n(C)n1 72857489 ZYJRJMGHJBDYTE-UHFFFAOYSA-N 317.368 1.763 0 40 DDAB CCCNC(=O)NC(=O)COc1ccc2c(c1)CCCC2=O 58289891 HBJHSUSSIWMPLL-UHFFFAOYSA-N 304.346 1.820 0 40 DDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCCC1 58298285 IRIHENYZHJEKJS-ZDUSSCGKSA-N 316.467 1.334 0 40 DDAB C[C@H]1COCCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O 44912388 JEHGASCMVPYRMP-VIFPVBQESA-N 304.268 1.114 0 40 DDAB C[C@@H](CNC(=O)N(C)Cc1cnn(C)c1)N1C[C@@H](C)O[C@H](C)C1 44914762 RNGYSLZOXVHKQK-BFHYXJOUSA-N 323.441 1.059 0 40 DDAB O=C(Nc1ccc(Cl)cc1C(=O)NCCO)c1ccco1 2182453 VVXZXEIGRFNHRL-UHFFFAOYSA-N 308.721 1.907 0 40 DDAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 58324944 QHJQJBAZEDZHKW-WPGHFRTFSA-N 319.380 1.775 0 40 DDAB CCOC(=O)c1c(O)c2ccc(C(F)(F)F)nc2n(C)c1=O 118900126 CGBFXRXRUYVOAG-UHFFFAOYSA-N 316.235 1.835 0 40 DDAB Cc1cc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)[nH]n1 57526632 BCLQKHDAFNCRJM-UHFFFAOYSA-N 323.356 1.889 0 40 DDAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 102353038 VWPFUVUHGKNBBZ-IMIFBBOLSA-N 319.313 1.297 0 40 DDAB O=C(NCc1cccnc1-n1cccn1)N1CCSCC1 46080711 MCHCKACGSNUZMZ-UHFFFAOYSA-N 303.391 1.526 0 40 DDAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1C 2694091 HRUYMHRLVBTBQZ-UHFFFAOYSA-N 311.345 1.386 0 40 DDAB Cc1nn(C)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1Br 2771064 NTSLVKDZEGAXPR-HTQZYQBOSA-N 316.199 1.740 0 40 DDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 10302480 LXYDFUGRDUSAAH-ZDUSSCGKSA-N 302.440 1.307 0 40 DDAB Cn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21 100705208 ATHHWTUOHYVOSR-UHFFFAOYSA-N 301.327 1.953 0 40 DDAB Cc1ccc(C)c(N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 10338229 ZVISKDRHTNPVCE-ZDUSSCGKSA-N 312.435 1.983 0 40 DDAB CSCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 108536391 SHJGWMDSFDVWFI-UHFFFAOYSA-N 310.463 1.991 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 65402557 CVNIUXAQWWTYTQ-SNVBAGLBSA-N 322.336 1.246 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCCC1)C2=O 3592690 OYHQSGIUZWFTOJ-UHFFFAOYSA-N 307.394 1.500 0 40 DDAB COc1cccc(CN2CCO[C@@]3(CCCN(C(C)=O)C3)C2)c1 63527724 HKEDMJHPMVNWIQ-SFHVURJKSA-N 318.417 1.909 0 40 DDAB COc1ccc(CCNC(=O)CSc2nnc(N)s2)cc1 3601775 MOSRLQKEDVPCGM-UHFFFAOYSA-N 324.431 1.580 0 40 DDAB CCn1cnnc1CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C 65591808 FYBCIBQYVVXDRT-STQMWFEESA-N 308.430 1.360 0 40 DDAB CN(C)c1nc(N)nc(Cn2c(=O)oc3ccc(Cl)cc32)n1 4511925 SLRLSHJDJLZSAI-UHFFFAOYSA-N 320.740 1.129 0 40 DDAB Clc1nc(N2CCN(c3ccccn3)CC2)c2nc[nH]c2n1 9419112 MFUOCSBWGKUDPH-UHFFFAOYSA-N 315.768 1.728 0 40 DDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)Cc1ccco1 83701672 SFISKDXAIAFOAH-ZWNOBZJWSA-N 303.366 1.945 0 40 DDAB COc1ccccc1C[C@H](C)NC(=O)N1CC[C@H](C(N)=O)C1 71819722 QRFZYLZGBIIZBQ-AAEUAGOBSA-N 305.378 1.143 0 40 DDAB O=[S@](CCN1CCC[C@@H]1Cn1cncn1)c1ccccc1 71875156 NOTCTDFMFVOOMQ-SZNDQCEHSA-N 304.419 1.550 0 40 DDAB CCc1ccc([C@@H](COC)NC(=O)N2CCN(CC)CC2)o1 83825394 OXXHPHBXRMIUOX-CQSZACIVSA-N 309.410 1.877 0 40 DDAB Cc1cc(C)c(C(=O)N[C@@H](C)CC(=O)c2ccco2)c(=O)[nH]1 95413756 CEXASCNYUJZFCB-NSHDSACASA-N 302.330 1.976 0 40 DDAB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N2CCCC2)nc1 69015860 KQBNUPMDMICZSR-CYBMUJFWSA-N 304.394 1.271 0 40 DDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCCCC1 69349382 GNNQGVXSOBNQAJ-HNNXBMFYSA-N 324.469 1.561 0 40 DDAB CCN(CC)C(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 69352072 YCRDEEVSQKPYHL-CQSZACIVSA-N 304.390 1.912 0 40 DDAB c1nc(N2CCC(c3nncn3C3CC3)CC2)c2nc[nH]c2n1 91483687 LCJARNJFOUCXNS-UHFFFAOYSA-N 310.365 1.663 0 40 DDAB CCN(CC)c1ncc(CN[C@H]2CCc3ncnn3C2)s1 69521051 NFODVDPRTLYNKK-NSHDSACASA-N 306.439 1.685 0 40 DDAB Cc1ccc([C@@H](C)NC(=O)CN(CC(N)=O)C(C)C)cc1C 8532815 DUMLCLSGALDNPM-CQSZACIVSA-N 305.422 1.676 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1ccc(-n3cccn3)cc1)CC2 69809912 ICIBHFBIBIEQEO-OAHLLOKOSA-N 308.389 1.877 0 40 DDAB Cn1ncc(N[C@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1=O 95971026 VAEKJEJPNOGREH-TVQRCGJNSA-N 315.826 1.900 0 40 DDAB COc1ncnc(N)c1CNCc1ccn(C2CCCC2)n1 89420680 XVVARCGDOQNZDP-UHFFFAOYSA-N 302.382 1.669 0 40 DDAB Cc1cn2nnc(C(=O)N[C@H](C)CCc3ccco3)c2c(O)n1 75164001 GWLAZPBXHVLCDI-SECBINFHSA-N 315.333 1.482 0 40 DDAB O=C(NCC1(N2CCOCC2)CCCC1)c1ccncc1F 89884893 UNZHGJZSWXABIW-UHFFFAOYSA-N 307.369 1.596 0 40 DDAB O=S1(=O)N=C(N[C@@H]2CCN(CC3CC3)C2)c2ccccc21 89857694 LODLYTHPULWOJE-GFCCVEGCSA-N 305.403 1.209 0 40 DDAB CC(C)(C)C(=O)NCC(=O)NCc1nc2ccc(F)cc2[nH]1 76092414 YDNLHOQZUHGBAY-UHFFFAOYSA-N 306.341 1.481 0 40 DDAB CCn1c(=O)n(CC)c2cc(NC(C)=O)c(NC(C)=O)cc21 1505840661 MWXCCTZFKNBEMO-UHFFFAOYSA-N 304.350 1.760 0 40 DDAB COc1ccc([C@@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218101812 QZTGSBKLXUUZFV-OWCLPIDISA-N 303.383 1.962 0 40 DDAB O=C(O)c1cc(O)c(Cc2c(O)cc(C(=O)O)cc2O)c(O)c1 3843448 NJTKMBBSHAAKST-UHFFFAOYSA-N 320.253 1.496 0 40 DDAB biogenic Cc1cccc(NC(=O)C(=O)NCCCc2nc(C)no2)c1 77837359 JDMZGLUWGNZULC-UHFFFAOYSA-N 302.334 1.374 0 40 DDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C(N)=O)cc1 76062001 SVOUPLCPMYUYGU-OLZOCXBDSA-N 312.391 1.018 0 40 DDAB CN(C)C(=O)[C@@]1(C)CN(Cc2c[nH]c3ccccc23)CCO1 72379554 ICISXCBVABBBKQ-QGZVFWFLSA-N 301.390 1.847 0 40 DDAB O=C1CCSC[C@@H](C(=O)Nc2nc(-c3ccco3)cs2)N1 75171011 GJAQAPCSEWBNEK-VIFPVBQESA-N 323.399 1.963 0 40 DDAB CN(C)C(=O)c1cccc(C2CCN(c3ncccn3)CC2)n1 72355853 PSAHJYCASOEPJM-UHFFFAOYSA-N 311.389 1.957 0 40 DDAB CCC(CC)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224913398 SLKRXVYPGFKFAF-CQSZACIVSA-N 312.435 1.924 0 40 DDAB COc1ccc(CCCC(=O)N2CCC[C@H]2C(N)=O)cc1F 84598749 BWWJJWLPUUMMQL-ZDUSSCGKSA-N 308.353 1.633 0 40 DDAB O=C(O)CCc1ccc(S(=O)(=O)NCc2ccncc2)cc1 223256138 WJMUMSVXXCFVLP-UHFFFAOYSA-N 320.370 1.577 0 40 DDAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2snnc2C)c1 572457125 OHBUWZQAIXNNJN-LLVKDONJSA-N 321.358 1.801 0 40 DDAB Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)C2 230104836 GPBPSBZOSKBSKF-PWBKTCOISA-N 321.442 1.975 0 40 DDAB Cn1cc(N2CC[C@@]3(CCCN(C4CCOCC4)C3)C2=O)cn1 96224629 CAPFXKSPNGCHDZ-QGZVFWFLSA-N 318.421 1.418 0 40 DDAB CCc1ccc(OC[C@@H](O)Cn2cnc(C)c(C)c2=O)cc1 97238468 ZLOOFANICDILIU-HNNXBMFYSA-N 302.374 1.862 0 40 DDAB Cn1ccc(CN2CCCC23CCN(C(=O)C2CC2)CC3)n1 96075323 ACYVNMBYCYUZMB-UHFFFAOYSA-N 302.422 1.787 0 40 DDAB c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 96072940 VSMNBXKPHKSAHQ-WBVHZDCISA-N 311.389 1.717 0 40 DDAB Cc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cnnc2)o1 96055365 NFBMBQQFMJIPPX-VNQPRFMTSA-N 302.378 1.859 0 40 DDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccoc1C)OCC2 96059706 HZCPLNAQCGSBDA-CQSZACIVSA-N 319.361 1.475 0 40 DDAB Cn1cc(CN2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)cn1 96182234 HOXMWTZTAYHUIF-IYBDPMFKSA-N 311.389 1.019 0 40 DDAB Cn1ncc2c1COC[C@H]2CNCc1ccc2c(c1)OCO2 96197689 FKSIIVPPOCYTDF-GFCCVEGCSA-N 301.346 1.552 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccccn2)C1 98211971 JQNNQRVBZFFWFA-CYBMUJFWSA-N 300.362 1.691 0 40 DDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1 96225509 VGHWHYJLDMJKRP-HNNXBMFYSA-N 322.434 1.731 0 40 DDAB Cc1cc2nc(C3CCN(c4cnccn4)CC3)cc(O)n2n1 257215429 CQBJIKUTNFIWER-UHFFFAOYSA-N 310.361 1.917 0 40 DDAB CCN(C)CCNC(=O)C1(c2ccc(OC)cc2)CCOCC1 65403925 HXQNPXSYEKIKFW-UHFFFAOYSA-N 320.433 1.811 0 40 DDAB C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 26846432 YXYXQQCVXKTXAI-LLVKDONJSA-N 313.375 1.257 0 40 DDAB Cc1noc(Cn2ccc3ccn(Cc4cccnc4)c3c2=O)n1 65224708 FQAIETBRLJJSIF-UHFFFAOYSA-N 321.340 1.986 0 40 DDAB COc1ccc(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1F 257290480 QDCPVBFJPYSKFJ-RDJZCZTQSA-N 323.364 1.519 0 40 DDAB Cn1nccc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 257247534 IZKHLMNYCWKJPX-UHFFFAOYSA-N 321.406 1.016 0 40 DDAB NC(=O)CN1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257312144 UMQKMRNIVOZPQP-UHFFFAOYSA-N 312.377 1.280 0 40 DDAB C=CC(=O)NC[C@H]1C[C@@H]2[C@@H]3C[C@H](C[C@H]3CNC(=O)C=C)[C@H]2C1 255187495 DXVBNLBQGUEJQN-JOWFITRBSA-N 302.418 1.889 0 40 DDAB Cc1ncoc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257265987 MBDISITYZKMMNX-MGPQQGTHSA-N 317.345 1.421 0 40 DDAB CC(C)Cc1cc(C(=O)N2CC[C@@]3(CCCO3)C(=O)C2)n[nH]1 585289237 OMJOOSZFNNMNLB-INIZCTEOSA-N 305.378 1.572 0 40 DDAB Cc1ccccc1OC[C@]1(O)COCCN(C2CCOCC2)C1 585275296 CLAPQWRVWKAJSR-GOSISDBHSA-N 321.417 1.616 0 40 DDAB O=c1[nH]ncc(NCc2ccccc2Cn2cncn2)c1Cl 69380271 WMFVPQQQWDSODJ-UHFFFAOYSA-N 316.752 1.675 0 40 DDAB CN(C)C[C@@]1(O)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 1548497817 JRLUQRPUEWONKV-KRWDZBQOSA-N 301.390 1.235 0 40 DDAB Cc1noc(C)c1C(=O)NC[C@H](O)COc1ccc(F)cc1 67147097 BZKQWRNVHDQERX-LBPRGKRZSA-N 308.309 1.600 0 40 DDAB C[C@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)OCCO2 48235873 NJPZALFUBHPBHQ-JTQLQIEISA-N 302.334 1.741 0 40 DDAB CC1CCN([C@@H](C)CNC(=O)N[C@H](C)c2cnn(C)c2)CC1 73897792 IHAIYAIZLCPTME-UONOGXRCSA-N 307.442 1.901 0 40 DDAB CN1C[C@H](C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1=O 56149633 XQIIDEIWEMZBRR-HZPDHXFCSA-N 316.401 1.673 0 40 DDAB Cc1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c(C)s1 95432922 KBZNUKQGMWZNNI-QMMMGPOBSA-N 303.327 1.566 0 40 DDAB CCOC(=O)[C@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1CNC2 95740417 ZLOQUTOOZGRYOE-WBMJQRKESA-N 312.410 1.786 0 40 DDAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)Cc1cccc(O)c1 97376612 SIHSCLGGIRRWEW-GOSISDBHSA-N 324.380 1.943 0 40 DDAB COC(CNC(=O)C(=O)Nc1cccc(Cl)c1C)OC 5251338 PLKMDVYKPZEYQS-UHFFFAOYSA-N 300.742 1.322 0 40 DDAB COc1ccccc1[C@@H](NC(=O)c1cnccn1)c1nccn1C 12114901 UHKYOLCUERXXDS-OAHLLOKOSA-N 323.356 1.738 0 40 DDAB Cn1nccc1C(=O)C1CCN(C(=O)CCn2cccn2)CC1 12337213 OSPNYFCRZGDUHL-UHFFFAOYSA-N 315.377 1.128 0 40 DDAB CN(C)c1nc(N)nc(COC(=O)c2ccc(Cl)cc2N)n1 12491524 ZQQZCIPSLAYTRG-UHFFFAOYSA-N 322.756 1.112 0 40 DDAB CC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO1)n2C 13684775 VBHWXTRQPKTRDE-CQSZACIVSA-N 316.361 1.327 0 40 DDAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)c1 17030650 NUPAARLSVGZNBP-LLVKDONJSA-N 301.306 1.117 0 40 DDAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 169620958 RXLABSIVFJHQMK-JTNHKYCSSA-N 306.387 1.745 0 40 DDAB CCS(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 9165517 IMTGQPZUTFEXJQ-UHFFFAOYSA-N 312.391 1.830 0 40 DDAB COc1cccc(Cn2nc3c(-n4ccnc4)nccn3c2=O)c1 1888921703 RARUFHNXEUEOJD-UHFFFAOYSA-N 322.328 1.134 0 40 DDAB Cc1csc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 21482556 OWPHCNSACZCMLE-LLVKDONJSA-N 307.419 1.859 0 40 DDAB Cc1cc(F)cnc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 1889128413 DIYMYPPGGLLJAC-UHFFFAOYSA-N 323.349 1.107 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]21 2037984818 OWALSFUEIMBRGS-JSGCOSHPSA-N 306.337 1.145 0 40 DDAB O=C(N1CCOC[C@H]1c1nccc(NC2CCC2)n1)C1(F)CC1 1565544226 GLWCGFSLSBBJSP-LBPRGKRZSA-N 320.368 1.843 0 40 DDAB CC[C@H]1CO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 1565545979 SXHZHIPLNWVQFM-BDJLRTHQSA-N 303.362 1.212 0 40 DDAB Cc1cc(C)cc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1 2711103 BDYYWFWDQGYLBI-NSHDSACASA-N 306.387 1.732 0 40 DDAB COc1ncc(NS(=O)(=O)c2c(F)cccc2F)cn1 585433249 FWRVJCHSIKNTIL-UHFFFAOYSA-N 301.274 1.564 0 40 DDAB Cc1ccc(CN2CCN(c3ncnc4c3cnn4C)CC2)cc1 40487707 MRBNGDIEMPVWBQ-UHFFFAOYSA-N 322.416 1.994 0 40 DDAB Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(-n2cccn2)cc1 20614982 FMDVGTJYVFEGOW-UHFFFAOYSA-N 311.301 1.556 0 40 DDAB Nc1nccnc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32795927 LOXCXUXGHZJKRK-UHFFFAOYSA-N 320.356 1.865 0 40 DDAB O=C(Cn1cccnc1=O)N1CCC[C@@H]1c1ccc(F)cc1 32934378 AYZVKHFHVQVCLF-CQSZACIVSA-N 301.321 1.746 0 40 DDAB O=C1C[C@@H](n2nnn(Cc3ccccc3)c2=S)[C@H]2CO[C@H]1O2 102990680 PZDBOQVVEYLHSB-RTXFEEFZSA-N 318.358 1.113 0 40 DDAB biogenic COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)cc1OC 33451372 SQFHPTZAPYMMNU-WMADIVHISA-N 305.330 1.793 0 40 DDAB COC(=O)c1ccc(NC(=O)NCc2cnn(C)c2)c(C)c1 54411326 SQPCQCMLUZKGID-UHFFFAOYSA-N 302.334 1.837 0 40 DDAB COc1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 23680595 XHYOBCGPIRTYEL-CZUORRHYSA-N 320.414 1.765 0 40 DDAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCOCC1 421864 NFBMGNNMDXWHNW-UHFFFAOYSA-N 323.349 1.827 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCCc1cn2ccccc2n1 55234541 GKHZOAYWZLNBDT-AWEZNQCLSA-N 300.362 1.004 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 24839638 RGXKAAGFOSCJLD-HNNXBMFYSA-N 315.373 1.528 0 40 DDAB CN(C)c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 77991111 RVXJPXHYXKHIHD-CYBMUJFWSA-N 302.296 1.892 0 40 DDAB CCc1cnc(CN2CC[C@@H](N(C)Cc3noc(C)n3)C2)o1 78891038 VBWCSODJDXMTEF-GFCCVEGCSA-N 305.382 1.635 0 40 DDAB Cc1cc(=O)n(C)cc1NC(=O)c1cc2c([nH]c1=O)CCCC2 79561763 BHTCNHHGOJGWNX-UHFFFAOYSA-N 313.357 1.513 0 40 DDAB O=C(NCCOc1ccccc1)NC[C@@H]1CN2CCC[C@H]2CO1 106905404 RGTSLOJGOUMVQF-GOEBONIOSA-N 319.405 1.228 0 40 DDAB O=C1CN(C(=O)[C@H](OCC(F)(F)F)c2ccccc2)CCN1 56388112 MJQBTNQESZJBPH-GFCCVEGCSA-N 316.279 1.265 0 40 DDAB CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 4511226 OBDMQHGTLKWGBJ-UHFFFAOYSA-N 322.386 1.607 0 40 DDAB O=C1NC(=O)[C@@]2(C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)N1 4769451 ACFQAMIVTKFUQT-RBUKOAKNSA-N 320.348 1.940 0 40 DDAB Cc1cccc(COc2ccc(CNn3nnnc3N)cc2)c1 35287250 WGCKGKQEMMPPFQ-UHFFFAOYSA-N 310.361 1.886 0 40 DDAB COCCn1cc(C(=O)NC(C)(C)C(=O)OC)c2ccccc21 57432544 CFIDURQDLXGTLB-UHFFFAOYSA-N 318.373 1.969 0 40 DDAB O=S(=O)(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)nc1 96007666 UHJFOJWZTCIIBV-QMMMGPOBSA-N 310.297 1.558 0 40 DDAB CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 27056648 CHRGYSFUNJDKTE-CHWSQXEVSA-N 316.357 1.960 0 40 DDAB CS(=O)(=O)Oc1ccc2ccc(OS(C)(=O)=O)cc2c1 2069662 CRDCHZXVMAZDLC-UHFFFAOYSA-N 316.356 1.517 0 40 DDAB COC(=O)c1ccc(Nc2ccc(NC(C)=O)c(OC)c2)nn1 58174185 ZPGCZEZYMONDIF-UHFFFAOYSA-N 316.317 1.974 0 40 DDAB Cc1nc(C)n(C[C@@H]2CN(c3ncnc4[nH]ccc34)CCO2)n1 75128665 YOIQBTAVRIACAV-LBPRGKRZSA-N 313.365 1.072 0 40 DDAB C[C@@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)[C@H]1CCCO1 27907529 CLIDIFGGKXXUSJ-NOZJJQNGSA-N 321.768 1.613 0 40 DDAB CCOC(=O)NCC(=O)Nc1nc2c(OC)cccc2s1 58442040 MNTHYSOWBWZSOK-UHFFFAOYSA-N 309.347 1.990 0 40 DDAB C[C@H]1C[C@H](C)CN(CCNS(=O)(=O)N2CCCCCC2)C1 46035349 PCYMSFDGNRXSEY-GJZGRUSLSA-N 317.499 1.675 0 40 DDAB O=C(NCCNc1cnccn1)NC[C@@H]1Cc2ccccc2O1 46876408 DIQODUKDCATDNR-ZDUSSCGKSA-N 313.361 1.191 0 40 DDAB O=S1(=O)CCC[C@@H]1CNCc1c[nH]nc1-c1ccccc1 89847957 OEUFSUXWVJISDV-CQSZACIVSA-N 305.403 1.744 0 40 DDAB Cc1c([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cnn1C 47491479 UAUJAOJNQKFYGZ-SNVBAGLBSA-N 301.346 1.991 0 40 DDAB CCOc1ncccc1NC(=O)NCc1nnc2n1CCC2 48207497 FCKWSHGTGYOUSU-UHFFFAOYSA-N 302.338 1.340 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)N1 48261021 YWUXPEMIABFINW-ZDUSSCGKSA-N 307.419 1.061 0 40 DDAB COc1cccc(-c2nnc(S[C@@H]3CCOC3=O)n2C)c1 3394689 ORLDCCPUPAGALZ-LLVKDONJSA-N 305.359 1.898 0 40 DDAB CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 76020165 CFYWBMSQCYWIFH-STQMWFEESA-N 319.405 1.892 0 40 DDAB Cc1n[nH]c([C@H]2CN([C@@H](C)c3nc(C4CC4)no3)CCO2)n1 76049018 WSKNAMZVHQQFMM-GZMMTYOYSA-N 304.354 1.508 0 40 DDAB Cc1cccc(C(=O)NCCNc2c(C)c(C)nc3ncnn23)c1 77192735 BKVBOJAARQNODG-UHFFFAOYSA-N 324.388 1.891 0 40 DDAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3486226 TZNDRVGTKBWJHO-CYBMUJFWSA-N 321.352 1.408 0 40 DDAB NC(=O)COC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 64279614 BJICFFXXWMMGLO-UHFFFAOYSA-N 305.330 1.646 0 40 DDAB CCOC(=O)CC1=Nn2c(nnc2-c2cccnc2)SC1 13625080 KUIYBQLUQNOYLY-UHFFFAOYSA-N 303.347 1.603 0 40 DDAB CN[C@]1(c2nnnn2-c2ccccc2C)CCOC(C)(C)C1 5278177 QQCALNKNJVMBKN-MRXNPFEDSA-N 301.394 1.974 0 40 DDAB CCCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)no1 65415436 NUDKIKUYXSHMRJ-LLVKDONJSA-N 322.409 1.630 0 40 DDAB Cc1n[nH]c(=O)c(C(=O)N2CCN(CCC(C)(C)C)CC2)c1C 65474654 PMERHFDSMOBMSP-UHFFFAOYSA-N 320.437 1.581 0 40 DDAB CC(=O)c1cnn(-c2cc(N3C[C@H](C)O[C@@H](C)C3)ncn2)c1C 5346603 XIDCJSZHTWKCOM-QWRGUYRKSA-N 315.377 1.787 0 40 DDAB O=C(CCC(=O)NC[C@@H]1CCCO1)NCc1ccc(F)cc1 4548674 VEKGZIXLNPKZJP-AWEZNQCLSA-N 308.353 1.517 0 40 DDAB CC(C)NC(=O)Nc1cccc(C(=O)N2CCNC(=O)CC2)c1 65902282 YDXWMJUWXLVGFT-UHFFFAOYSA-N 318.377 1.179 0 40 DDAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)N1CCCC1 4741018 FWCOPRLDRPOWOM-DHZHZOJOSA-N 306.343 1.938 0 40 DDAB O=C1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CCN1 66797236 UGJSULBEPUXXIY-UHFFFAOYSA-N 309.373 1.354 0 40 DDAB Cc1nnc(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)s1 71797246 HQIQVYUWEWPDJY-NSHDSACASA-N 306.395 1.356 0 40 DDAB CC[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(C)cc1 7459012 DBBUBRXDKRTGAK-MRXNPFEDSA-N 317.433 1.760 0 40 DDAB C[C@@H](NC(=O)CSc1nnnn1C)c1ccc(F)cc1F 7465678 GANLZHJRRWQGQJ-SSDOTTSWSA-N 313.333 1.458 0 40 DDAB O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccccn1 71894277 DTEOKLFAGWXQMG-UHFFFAOYSA-N 323.352 1.888 0 40 DDAB Cc1noc(C)c1C[S@](=O)CC(=O)NCCCOC(C)C 71858911 DLVUUMPQIHVVGL-OAQYLSRUSA-N 316.423 1.471 0 40 DDAB Cc1noc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)n1 71847374 XHHYMYHHFATLAE-UHFFFAOYSA-N 304.331 1.352 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 71883097 IMKUJFMGVRTKSK-PWSUYJOCSA-N 319.386 1.870 0 40 DDAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1OCCN1CCN(C)CC1 71883024 MZQMEDZVVGZREY-GJZGRUSLSA-N 317.433 1.907 0 40 DDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2 71860230 LDLIOOKUVGNXTI-CHWSQXEVSA-N 312.373 1.824 0 40 DDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCCCCC1 7778985 SOAFEFWBXCRSGD-UHFFFAOYSA-N 304.177 1.953 0 40 DDAB Cc1cccc(C)c1CNCC1(S(C)(=O)=O)CCOCC1 91060917 BQYWUYOJKUKVIP-UHFFFAOYSA-N 311.447 1.987 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccco2)c1 17910058 HQRPDKHHIGGASB-UHFFFAOYSA-N 322.386 1.502 0 40 DDAB c1cnc(-n2ncc3c(NC[C@H]4CCCS4)ncnc32)nc1 97020966 PAOPRXSWNRSWKI-SNVBAGLBSA-N 313.390 1.913 0 40 DDAB O=C(O)C[C@H](NC(=O)CN1CCCCCC1=O)c1ccccc1 72277359 KJKPORNFIPXZBL-AWEZNQCLSA-N 318.373 1.721 0 40 DDAB CN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 72308482 VCFVMKJWXOVYPW-TZMCWYRMSA-N 316.323 1.815 0 40 DDAB Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)n1 95956713 HUUWQSSIAOBVIG-UONOGXRCSA-N 315.377 1.621 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCC[C@@H](C)CO 95444071 VCZJFLUVECMQOW-LLVKDONJSA-N 313.419 1.537 0 40 DDAB COc1cc(CN2CC[C@@H](NCc3cc[nH]n3)C2)cc(OC)c1 88755801 FXWJOTHMRCQAGA-OAHLLOKOSA-N 316.405 1.791 0 40 DDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cccc(C(=O)O)n1)C2 531997014 YDXWWUDSLWICDW-LLVKDONJSA-N 312.329 1.166 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)C2 72279075 IEDKBJHPAPMBSQ-KKUMJFAQSA-N 321.421 1.597 0 40 DDAB CCOC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C)c1C 184082735 YRRFQVUMVQVOPP-UKRRQHHQSA-N 318.373 1.302 0 40 DDAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCCC1 72368778 XIZWGAXUHMVOKI-CYBMUJFWSA-N 323.418 1.105 0 40 DDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccco2)c1 31147883 KWDZFWRZIMQSPC-UHFFFAOYSA-N 310.331 1.488 0 40 DDAB CO[C@]1(C)C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C 72559924 JIABGUSRUWAIQX-MLGOLLRUSA-N 323.441 1.770 0 40 DDAB C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc(C(=O)O)nc1 566853214 HMRDKJUILIFWSZ-JTQLQIEISA-N 324.358 1.672 0 40 DDAB Cc1nc(Nc2ncccn2)cc(C2CN(Cc3ncc[nH]3)C2)n1 72382780 KXBPUBQMHBATRB-UHFFFAOYSA-N 322.376 1.641 0 40 DDAB CS(=O)(=O)N[C@H]1CCCN(c2ncnc3sccc23)C1 42108360 QWVGOIBTBGYKOT-VIFPVBQESA-N 312.420 1.209 0 40 DDAB CCN(C)C[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 195531001 MOQNTXFFKGRGMZ-ZIAGYGMSSA-N 303.472 1.237 0 40 DDAB CN1C(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 49649458 RNEFOCXPELUNHQ-UHFFFAOYSA-N 308.403 1.770 0 40 DDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2 40386771 BFVISAZPQAGXSI-QMMMGPOBSA-N 321.287 1.462 0 40 DDAB COc1cc(C)cc(C)c1S(=O)(=O)N(C)c1cnccn1 225436863 YTKZIFKAIQQEAQ-UHFFFAOYSA-N 307.375 1.927 0 40 DDAB COCCNCC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 195543614 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Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccccn1 12666995 LSUPFCUPHJWVTQ-LBPRGKRZSA-N 316.386 1.300 0 40 DDAB CCC(=O)N1CCC[C@@H]1c1nc2c(c(NC)n1)CCN(C)C2 19708092 DWMSUQGKDHKWGO-CYBMUJFWSA-N 303.410 1.580 0 40 DDAB CCOC(=O)[C@@H](C)CN1CCN(C[C@H](C)C(=O)OCC)CC1 19797925 RWWDHEQJEDLGRP-KBPBESRZSA-N 314.426 1.002 0 40 DDAB C/C=C\C(C)=C/[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 5409551 ATUBIBZJAGAIBW-SQLPJWOHSA-N 307.390 1.908 0 40 DDAB CN(C)CCCN[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1O 12146521 KRYFIMHSNIDDSE-IAGOWNOFSA-N 309.429 1.302 0 40 DDAB CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H]1CO 249046499 FFAMCRWTNWNOLI-AVGNSLFASA-N 321.425 1.649 0 40 DDAB O=C(Cn1cc(Cl)cn1)N1CCC[C@H](Cc2cc[nH]n2)C1 2037684433 OGEAEFJIEJEMMH-LLVKDONJSA-N 307.785 1.741 0 40 DDAB COC[C@@H]1CN(C)C(=O)[C@H]2CCN(C(=O)c3cc[nH]c3)CC[C@@H]12 1565549084 PGFGFUHVPYYECT-KKUMJFAQSA-N 319.405 1.218 0 40 DDAB O=C(Cn1ccccc1=O)N1CC[C@H](O)[C@@H]1Cc1ccccc1 1565550886 HFDIFECSTXHYMD-HOTGVXAUSA-N 312.369 1.053 0 40 DDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1 424146 QCMCKLRVDGXJNH-UHFFFAOYSA-N 323.352 1.049 0 40 DDAB Cc1ccc2nc(NC(=O)c3ccc(=O)n(C)n3)sc2c1 3324626 BDQWOLIWHMDJFW-UHFFFAOYSA-N 300.343 1.951 0 40 DDAB Cc1cccc(NC(=O)C(=O)NCC2CCN(C)CC2)c1C 22999071 RECZVVPUBZSOKS-UHFFFAOYSA-N 303.406 1.700 0 40 DDAB CN(C)C1(CNC(=O)c2ccnc(-n3ccnc3)c2)CCCC1 50171078 GXDHTFMVLHDVAA-UHFFFAOYSA-N 313.405 1.872 0 40 DDAB COc1cc(CN[C@H](C)Cn2cccn2)cc2c1OCCO2 30904476 ZBIKMSRUQCLMEX-GFCCVEGCSA-N 303.362 1.841 0 40 DDAB O=C(O)c1csc(NS(=O)(=O)c2ccc(F)cc2)n1 20332633 BKYUGPUTEBMJAS-UHFFFAOYSA-N 302.308 1.781 0 40 DDAB C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)[C@H]1CCCO1 40511035 VKDROBXTBPBHLW-DGCLKSJQSA-N 316.361 1.748 0 40 DDAB CN(C)c1cc(CNS(=O)(=O)c2ccccc2F)ccn1 40512732 MZBNJJVHRQKNCT-UHFFFAOYSA-N 309.366 1.765 0 40 DDAB Cc1sc2ncn(CC(=O)N3CCOC[C@H]3C)c(=O)c2c1C 40509749 VYBSIRBXIRCFPK-SECBINFHSA-N 321.402 1.322 0 40 DDAB CNC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 51342520 DRMCUKSARYDVKG-AWEZNQCLSA-N 317.414 1.832 0 40 DDAB Cc1ccc(F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1 32402058 FLAMOMCTKSEWKF-UHFFFAOYSA-N 300.355 1.020 0 40 DDAB CC(C)n1[nH]cc/c1=N\C(=O)[C@H](C)Sc1nnc(N)s1 101902342 SXUPGKKHCMQSRU-FEAFQJFKSA-N 312.424 1.439 0 40 DDAB C[C@H](C(=O)Nc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCO1 32796965 BFKUPYDYYZKJLC-ZWNOBZJWSA-N 315.366 1.747 0 40 DDAB Cc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)o1 386092 LVYSJOKZFXODLM-UHFFFAOYSA-N 319.386 1.996 0 40 DDAB COC(=O)c1cc(CN(C)C(=O)c2ccc[n+]([O-])c2)oc1C 22024161 DHPLBHXDATZJOS-UHFFFAOYSA-N 304.302 1.280 0 40 DDAB COc1ccccc1/C=C/C(=O)NC(=S)NC[C@@H]1CCCO1 516548 AEIKPCUHXPYZKF-XEHSLEBBSA-N 320.414 1.878 0 40 DDAB COc1cccc(OCC(=O)N2CCC(CC(N)=O)CC2)c1 53890858 XSKZDDJRGRQFCD-UHFFFAOYSA-N 306.362 1.188 0 40 DDAB CC1CCN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 23382373 KBGMZUIDCCJJPL-UHFFFAOYSA-N 315.373 1.667 0 40 DDAB Cc1noc([C@@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)n1 54341438 IEPVXWXYDCDVJE-GXTWGEPZSA-N 306.410 1.958 0 40 DDAB NC(=O)CC1CCN(C(=O)NCCCc2ccccc2)CC1 42997785 DAWFDNNEAYHLHB-UHFFFAOYSA-N 303.406 1.916 0 40 DDAB CCOC(=O)C1=C(C)[C@H](c2cc(OC)ccc2OC)NC(=O)N1 340003 DVMOVGXGFOXYTK-CYBMUJFWSA-N 320.345 1.895 0 40 DDAB O=C(Cn1nnc(-c2cccnc2)n1)Nc1ccc2c(c1)OCO2 417018 VQFDCGREVWGXFT-UHFFFAOYSA-N 324.300 1.103 0 40 DDAB CCn1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cn1 24577244 YHRLMJFTNYBJLY-UHFFFAOYSA-N 309.347 1.710 0 40 DDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(C)cc1 569483 BLNMLXANMJBBDQ-UHFFFAOYSA-N 304.379 1.518 0 40 DDAB CC[C@H]1C(=O)NCCN1C(=O)CCc1cc(OC)cc(OC)c1 78548650 POIZIEWXDYYPQD-HNNXBMFYSA-N 320.389 1.373 0 40 DDAB CC[C@H](CO)N(Cc1ccsc1)C(=O)c1c[nH]c(=O)cn1 55308889 FHWPTBWEBHKJJQ-LLVKDONJSA-N 307.375 1.245 0 40 DDAB CCOC(=O)[C@@H]1C(=O)C[C@@H]2c3nc4ccccc4cc3CN2C1=O 1722629 HMPKMPLZVHVHOX-UKRRQHHQSA-N 324.336 1.770 0 40 DDAB CN1CCO[C@@H](CN[C@@H](C(=O)N2CCCC2)c2ccccc2)C1 106667820 AIKXJEADPSWXGY-DLBZAZTESA-N 317.433 1.270 0 40 DDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1cccc(F)c1 55863390 JXBFUHMUBWFDEN-JSGCOSHPSA-N 311.378 1.924 0 40 DDAB CC(=O)N1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 25371451 AYCOETLSRUJHOY-UHFFFAOYSA-N 314.382 1.210 0 40 DDAB CS(=O)(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 3956045 OYDWWFQHXMAPLD-UHFFFAOYSA-N 310.423 1.119 0 40 DDAB CC[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@@H]1N1CCOCC1 107323338 WJPHOTZCYHLDCQ-MCIONIFRSA-N 300.468 1.555 0 40 DDAB C/C=C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@@H](CC)NC(=O)N1 6642456 IIMBRAACTLWUGW-ZCBPGYPGSA-N 322.361 1.571 0 40 DDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1C 6953135 CPGQDJNZYMVUQR-CQSZACIVSA-N 303.406 1.842 0 40 DDAB Cn1c(=O)c2[nH]c(Cc3cccc4ccccc34)nc2n(C)c1=O 8581205 BIVVLUDWJXHPPJ-UHFFFAOYSA-N 320.352 1.704 0 40 DDAB O=C1C=C(C(=O)O)[C@H]2C(C3CC3)=NN(c3ccc(F)cc3)[C@H]2N1 35655605 SQNLEOIJBHWJBY-DZGCQCFKSA-N 315.304 1.495 0 40 DDAB C[C@@H]1C[C@@H](N2CCCN(Cc3noc(C4CC4)n3)CC2)C(=O)O1 75603308 HQAYEMUZLCWJDD-DGCLKSJQSA-N 320.393 1.159 0 40 DDAB Cc1nc2ccccn2c1CSc1nnc(C)n1CC(N)=O 76040557 FGQBRWMUOAJQQC-UHFFFAOYSA-N 316.390 1.320 0 40 DDAB CC[C@](C)(CNc1ccc2nnc(C)n2n1)N1CCOCC1 58173152 LOGYYXZFHPALMA-OAHLLOKOSA-N 304.398 1.346 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1ccco1)N(C)C 44891236 HTUNZORUKFDCFZ-CYBMUJFWSA-N 305.382 1.457 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCCO1 58282462 AMOWNSWZHFVYEQ-VXNVDRBHSA-N 309.309 1.950 0 40 DDAB CCNC(=O)NC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O 58216846 OILBHWLQXRIBSD-UHFFFAOYSA-N 320.374 1.126 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc2c(c1)OCCO2 44911806 XFHPVHKEWZRDEI-ZYHUDNBSSA-N 304.346 1.113 0 40 DDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cnn(C)c2)CC1=O 44915822 AOCXTPGZCXACJL-OCCSQVGLSA-N 312.373 1.968 0 40 DDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3O)cc2o1 2236235 SMSYYPSERGJZOK-UHFFFAOYSA-N 306.299 1.628 0 40 DDAB O=C(NCc1ccc2c(c1)OCO2)c1cccnc1-n1cncn1 29461990 LOTDRLQPDQATKD-UHFFFAOYSA-N 323.312 1.321 0 40 DDAB C[C@H]1CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CCO1 29682776 ZLKHVIQERFLYGO-IHWZXDPASA-N 320.433 1.566 0 40 DDAB CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccsc1 46913914 RRDHZHYIVGAABT-LLVKDONJSA-N 302.421 1.351 0 40 DDAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nncs1 61718877 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C[C@](O)(CC(=O)NC[C@H]1COc2ccccc2O1)C(F)(F)F 14241755 PCHWTFSXLJZEIL-ZANVPECISA-N 319.279 1.646 0 40 DDAB COC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 14244743 PAUZACACAMPYKX-UHFFFAOYSA-N 311.769 1.663 0 40 DDAB Cc1ccc([C@H](C)NC(=O)CSc2n[nH]c(N)n2)cc1C 6605758 WVDJESAXNRLAEE-JTQLQIEISA-N 305.407 1.973 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2F)CC1 71871120 ZYTPFYMZXQVSHR-NWANDNLSSA-N 306.381 1.454 0 40 DDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC(C)C 4834990 FISGOKSFCHNDOF-LLVKDONJSA-N 314.407 1.195 0 40 DDAB CC(C)(C)C[C@@H](O)CNC(=O)c1cn(Cc2cccs2)nn1 80354827 IDKANENMUIKRBJ-LLVKDONJSA-N 322.434 1.915 0 40 DDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408709749 WORWICTVVKURBC-LBPRGKRZSA-N 308.378 1.547 0 40 DDAB CCOC(=O)CCN(Cc1cccnc1)C(=O)C[C@H]1CCCO1 68198241 MIMIASYQVTXCCW-OAHLLOKOSA-N 320.389 1.933 0 40 DDAB Cc1noc(C)c1CN1CCC[C@@H](C(=O)Nc2cnccn2)C1 95953097 XQWUTUYRCCPNEL-CYBMUJFWSA-N 315.377 1.932 0 40 DDAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C1(O)CCCC1 96999416 HFOOEMNNXHNDGE-INIZCTEOSA-N 318.417 1.481 0 40 DDAB O=C1CSCN1CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84136685 HSZFKMBISKBHPT-SNVBAGLBSA-N 322.390 1.143 0 40 DDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CCCO1 69148595 KBVUADMSGNNRMG-WBVHZDCISA-N 318.417 1.665 0 40 DDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)NCCn1cccn1 70004985 XRMAUVPMEXUMPO-STQMWFEESA-N 304.398 1.667 0 40 DDAB CC(C)(O)CN1CCN(C(=O)CCOc2cccc(F)c2)CC1 70021197 HMGOEXKKSQDQIG-UHFFFAOYSA-N 324.396 1.510 0 40 DDAB Cc1ccc(NC(=O)CCNC(=O)COc2ccccc2)nc1 69490645 TVBWTSVPNZREDF-UHFFFAOYSA-N 313.357 1.914 0 40 DDAB Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C)C2)n1 72273810 NAROMKJAOKOAMS-NWDGAFQWSA-N 307.419 1.983 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)N1CCCCC1=O)C2 72232417 SMRCZOVITROSBO-STQMWFEESA-N 304.394 1.024 0 40 DDAB CCOc1ncccc1CNC(=O)NCCC(=O)N1CCCC1 69571723 HLWIFDLJVOBXEI-UHFFFAOYSA-N 320.393 1.292 0 40 DDAB CC[C@@H](CCNC(=O)c1ccc(OC)cc1O)N1CCCC1=O 69588340 UJLTZSWWIXJQMM-LBPRGKRZSA-N 320.389 1.922 0 40 DDAB CC[C@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1CC(F)F 95980465 VFFFUZQFXLCHLU-AWEZNQCLSA-N 311.376 1.947 0 40 DDAB O=C1[C@@H](SC[C@@H](O)CO)CCN1c1ccccc1Cl 95963817 DNVZWLAAVRKIIN-CABZTGNLSA-N 301.795 1.532 0 40 DDAB C[C@H](C(=O)Nc1ccc(F)c(-n2cccc2)c1)S(C)(=O)=O 69702484 RBCNTIVSBDXZJD-SNVBAGLBSA-N 310.350 1.988 0 40 DDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCC[C@H](C)C1 69896800 BWPIUENNXCPVJP-JTQLQIEISA-N 316.405 1.679 0 40 DDAB Cc1csc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)n1 69876965 BFTVQXJTIKPXSE-GFCCVEGCSA-N 320.422 1.394 0 40 DDAB C[C@H](OCC1CC1)C(=O)NS(=O)(=O)N1CCc2ccccc21 69812174 ZQOQBUAOEKTWBG-NSHDSACASA-N 324.402 1.225 0 40 DDAB COC(=O)C1(CNC(=O)Cc2c(C)nn(C)c2C)CCCCC1 97107021 XSDSDBMHXCKVGL-UHFFFAOYSA-N 321.421 1.819 0 40 DDAB CC(=O)c1ccc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 69948187 VHCMOCTVAXQMLH-QWRGUYRKSA-N 312.391 1.655 0 40 DDAB CCCNC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449779 WGCVFXDAQMGAHK-BQYQJAHWSA-N 300.380 1.210 0 40 DDAB O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1C[C@@H](O)C(F)(F)F 97377958 LFPVOMNHLXXRCB-GXSJLCMTSA-N 319.254 1.667 0 40 DDAB CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ncc(CO)n1C 95988613 GQGIMALPWPFDGM-ZDUSSCGKSA-N 312.366 1.977 0 40 DDAB O=C1NC[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)N1 89874892 SNQVGYQXESZNIP-PWSUYJOCSA-N 314.345 1.215 0 40 DDAB CC(C)CN1CCO[C@@H](CNC(=O)NCCc2ccncc2)C1 95417603 FVWOYFRFUQKHQE-INIZCTEOSA-N 320.437 1.280 0 40 DDAB C[C@H](NC(=O)NCCCCc1cnn(C)c1)c1cnn(C)c1 95404573 ITQCKLKEHHJZGA-LBPRGKRZSA-N 304.398 1.537 0 40 DDAB Cc1nnc(CN(CC(=O)NC[C@H]2CCCO2)C(C)(C)C)o1 95428201 HWWRFFJYEXSTJM-GFCCVEGCSA-N 310.398 1.274 0 40 DDAB CCC(=O)N1CC[C@@H](NC(=O)Nc2c(C)cnn2CC2CC2)C1 95416945 PAZAQRKLHSKFLS-CYBMUJFWSA-N 319.409 1.734 0 40 DDAB Cc1cc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)n(C)n1 89591825 XFJBVXXIVRBOEW-GFCCVEGCSA-N 319.340 1.606 0 40 DDAB CCN1CCO[C@H](CNCC2=Cc3ccc(OC)cc3OC2)C1 75133639 MDUXIQVFNHOLBB-QGZVFWFLSA-N 318.417 1.781 0 40 DDAB Cc1nnc(NC(=O)c2coc(NC(=O)c3ccco3)n2)s1 62023043 MRBZOPTVDHGAIB-UHFFFAOYSA-N 319.302 1.932 0 40 DDAB O=C(Cn1cnnn1)NCc1cc(-c2cccc(Cl)c2)no1 66089177 JVVDWSWXODIDHJ-UHFFFAOYSA-N 318.724 1.298 0 40 DDAB COc1cc(C)cnc1C(=O)N1CCc2occc2[C@H]1C(=O)O 1550378982 IGQHXDLQLGPXSR-AWEZNQCLSA-N 316.313 1.816 0 40 DDAB CC(C)C[C@@H](C)OCCC(=O)N=c1ccn([C@H]2CCNC2)[nH]1 548672954 UCPVGTWMSDLPET-KGLIPLIRSA-N 308.426 1.619 0 40 DDAB CCc1cccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)n1 514994037 BJGDTCHBWIMSDF-IVMMDQJWSA-N 317.389 1.200 0 40 DDAB CC(=O)Nc1ccc(OCc2ncc(C(=O)O)c(=O)[nH]2)cc1 217382074 WBOCMSLMMAXYPT-UHFFFAOYSA-N 303.274 1.006 0 40 DDAB Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72385337 ZCWYXCDBBSLRGV-LBPRGKRZSA-N 312.439 1.052 0 40 DDAB Cc1nc(COc2cccc(C(=O)NC[C@@H](C)O)c2)oc1C 77239993 JRJWYVKOOORKFR-SNVBAGLBSA-N 304.346 1.981 0 40 DDAB Cc1cc(=O)c2ccc(C(F)(F)F)cc2n1Cc1nnn[nH]1 40164065 QZLGVFBELXRFHV-UHFFFAOYSA-N 309.251 1.890 0 40 DDAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccoc2)cc1F 75171946 FAEZHEYFDYNLOH-ZDUSSCGKSA-N 306.293 1.515 0 40 DDAB Cc1occc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40111122 FTKUUOHYCYTSRL-INIZCTEOSA-N 313.313 1.895 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NC1CCN(C)CC1)O2 40808747 OMDUSVGHMZQLRF-KRWDZBQOSA-N 317.389 1.295 0 40 DDAB COc1ccccc1C1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)CC1 81490346 IXCUJSXDAUMDGN-UONOGXRCSA-N 316.401 1.963 0 40 DDAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NC[C@@H]1CCCO1 225743682 KRCTUWVTEFSBKY-ZDUSSCGKSA-N 300.358 1.605 0 40 DDAB COc1cc(=O)n(C)cc1C(=O)NCc1ccc2c(c1)OCO2 225648643 PPSFDVZLWOSWNF-UHFFFAOYSA-N 316.313 1.053 0 40 DDAB Cc1nccn1-c1cncc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 195574992 XLMTYWFNIURGBG-CMPLNLGQSA-N 300.366 1.061 0 40 DDAB O=C(NCc1cccc(F)c1)N[C@@H]1CCc2[nH]c(=O)ccc2C1 96067533 JOFDLMRCQNKVMT-CQSZACIVSA-N 315.348 1.871 0 40 DDAB CO[C@@H](CNS(=O)(=O)c1cn(C)cn1)c1cccc(F)c1 96388587 TXTHDXLTSGYTOQ-LBPRGKRZSA-N 313.354 1.225 0 40 DDAB C[C@@H](NC(=O)N1CCC(Cn2ccnn2)CC1)[C@H]1CCCOC1 332905669 NYGQXHOHQIPBLZ-HIFRSBDPSA-N 321.425 1.515 0 40 DDAB O=C(c1cccs1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96161827 QWHGDGYLLQDIAQ-TXEJJXNPSA-N 300.387 1.747 0 40 DDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)C1CC1)C2 96237842 CJVZPCCSARLBNL-SFHVURJKSA-N 313.401 1.346 0 40 DDAB C[C@H]1N(C)C(=O)COC12CCN(C(=O)Cc1ccsc1)CC2 96201520 LEAXOZNZTHEVNR-GFCCVEGCSA-N 322.430 1.529 0 40 DDAB CN1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96241283 OGXQKKDTARQXJN-UHFFFAOYSA-N 306.431 1.962 0 40 DDAB CCOC[C@@H]1CCC2(CCN(C(=O)c3ncccn3)CC2)N1C 96215259 YXUBETCOFMMCHY-AWEZNQCLSA-N 318.421 1.582 0 40 DDAB COC(=O)CNC(=O)c1nc(Br)sc1C(C)C 95476288 YANHRJHXETYXAQ-UHFFFAOYSA-N 321.196 1.932 0 40 DDAB CC[C@H](C)[C@@H](CO)NC(=O)CCn1cnc2ccccc2c1=O 230203499 OPXDSIWDYVTYCM-SWLSCSKDSA-N 317.389 1.310 0 40 DDAB biogenic CCn1nnc2c1[C@H](COC)CN(C(=O)Cc1ccccn1)C2 96045515 JUOFBOMIPVONEL-LBPRGKRZSA-N 315.377 1.008 0 40 DDAB c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 96219333 KCZHCPKWLLGUEJ-BBRMVZONSA-N 300.362 1.915 0 40 DDAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 96041960 CNIJCAHQRIECDW-RVSPLBMKSA-N 319.357 1.363 0 40 DDAB C[C@H](NC(=O)c1c(F)ccc(F)c1F)C(=O)N1CCOCC1 97097022 VAHIXXLWBXDSIV-QMMMGPOBSA-N 316.279 1.081 0 40 DDAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 245338694 NWAPXIZWIWXFGO-YHPRMOQLSA-N 319.449 1.822 0 40 DDAB O=S(=O)(C1CC1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 247308782 HUTAKWUHVZYDDW-GFCCVEGCSA-N 324.402 1.186 0 40 DDAB CC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 244166982 VBGNAVIMLCWVBJ-LBPRGKRZSA-N 312.435 1.984 0 40 DDAB Cc1ncncc1C(=O)N1CC(Cc2nccc3cc[nH]c23)C1 257218482 DDHIKWVUGIXVCX-UHFFFAOYSA-N 307.357 1.976 0 40 DDAB CCn1cc(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)cn1 257226438 FKPKBKYYRIJRAB-CYBMUJFWSA-N 301.350 1.094 0 40 DDAB CC(=O)N1CCC(c2cnc(N3C[C@H](C)OC3=O)cn2)CC1 257311171 UIHDSLWPHWEZJT-JTQLQIEISA-N 304.350 1.548 0 40 DDAB COc1ccc(OCC(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)cc1 257301525 RYVUNOPBSJIJCK-RDJZCZTQSA-N 321.373 1.480 0 40 DDAB O=C(O)c1ccccc1-n1cnc(CN2CCC[C@@H](O)C2)c1 257239333 HOURTNZJCGBBQX-CYBMUJFWSA-N 301.346 1.527 0 40 DDAB CC(C)c1ncc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)cn1 257207815 BJKKJGGRIXALCF-AWEZNQCLSA-N 319.405 1.746 0 40 DDAB Cc1nc(CC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)cs1 257244166 IKEILUFFIUDKRR-GFCCVEGCSA-N 306.391 1.626 0 40 DDAB Nc1cnc(C[C@H]2CCCN(C(=O)c3ccccn3)CC2)cn1 257328992 XHYHDIYGIAUWDU-ZDUSSCGKSA-N 311.389 1.939 0 40 DDAB CCn1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cn1 257314543 UXKYHFBQUBTNQX-CQSZACIVSA-N 315.377 1.865 0 40 DDAB Cc1cc2nc(C3CCN(Cc4ncc[nH]4)CC3)cc(O)n2n1 257251252 JPZTUXNQAVESNQ-UHFFFAOYSA-N 312.377 1.846 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CCO[C@H](c2cnccn2)C1 257294181 QSXVTCABSNWTEQ-AWEZNQCLSA-N 323.349 1.378 0 40 DDAB CN(C)CCN1CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 299853158 GPXOGPUSWKNCEN-HZPDHXFCSA-N 317.433 1.626 0 40 DDAB O=C(c1cc(-c2cccnc2)on1)N1CCN(CCF)CC1 390829562 FFJXXFZOBNBWNY-UHFFFAOYSA-N 304.325 1.464 0 40 DDAB O=C(NCc1ccc(CN2CCOCC2)cc1)N1CCOCC1 27336993 HMMQTLHNTKTPHG-UHFFFAOYSA-N 319.405 1.061 0 40 DDAB Nc1n[nH]c(CNC(=O)Nc2ccccc2OCC(F)F)n1 585140995 NPHDEADUDPWCPB-UHFFFAOYSA-N 312.280 1.353 0 40 DDAB CCCc1n[nH]c([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 76049650 BUTDXVDNQMJJCD-NSHDSACASA-N 318.381 1.591 0 40 DDAB O=S(=O)(C1CC1)N1CCC(NCc2cccs2)CC1 84961867 IKISVWMZACQHFZ-UHFFFAOYSA-N 300.449 1.794 0 40 DDAB O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccccc1 5018024 SAMICAAZFSVATN-UHFFFAOYSA-N 302.315 1.430 0 40 DDAB CC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 5570522 ZHRLPANZXFUVKM-UHFFFAOYSA-N 319.766 1.141 0 40 DDAB CN1CCN(NC(=O)CSc2cccc3cccnc23)CC1 16189111 RHJZUDTWKAAIQS-UHFFFAOYSA-N 316.430 1.606 0 40 DDAB CCOC(=O)CCN(C(C)=O)[C@H](CCSC)C(=O)OCC 16968723 NTDAONOBHYSBRN-GFCCVEGCSA-N 319.423 1.473 0 40 DDAB CNc1cc(CNC(=O)c2cccnc2)nc(-c2ccncc2)n1 19592342 HIOYSJZYIKCTGW-UHFFFAOYSA-N 320.356 1.905 0 40 DDAB O=C(/C=C/c1ccc2c(c1)OCCO2)OCC(=O)N1CCCC1 5308750 JRVVLSSSOWELBO-GQCTYLIASA-N 317.341 1.637 0 40 DDAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCCC2)c1 5367167 NVWLUNMWHJGBSM-VMPITWQZSA-N 319.357 1.883 0 40 DDAB O=C(Cn1ccnc1[C@@H](O)c1ccccc1)NC[C@H]1CCCO1 154843987 IACVTPGTEMPCFZ-ZBFHGGJFSA-N 315.373 1.260 0 40 DDAB C[C@@H](NC(=O)C1=NNC(=O)CC1)C12CC3CC(CC(C3)C1)C2 6048949 VVEPGPRIOHFIJR-LKBWSCCASA-N 303.406 1.974 0 40 DDAB O=C(c1cscn1)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888856688 YRSVWEYWJYXQOI-NXEZZACHSA-N 306.416 1.808 0 40 DDAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(nn1)CCOC2 1889124959 ISRVFTWCRYAASM-UHFFFAOYSA-N 313.313 1.573 0 40 DDAB CC(=O)N1CCN(CCS(=O)(=O)c2cc(C)ccc2C)CC1 23641069 OZSYSYDWCNRBAM-UHFFFAOYSA-N 324.446 1.241 0 40 DDAB O=C(Cn1cccc1)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 244998747 KRPUWLIQHLIJBP-HDJSIYSDSA-N 318.352 1.924 0 40 DDAB Cc1c(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)cnn1C 2037980702 FSMBXBGAXGDCQK-KRWDZBQOSA-N 320.437 1.188 0 40 DDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037985067 WVRDBXLOZKWXON-INIZCTEOSA-N 321.377 1.145 0 40 DDAB COCCCN1CC[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2CC1 2056224187 KYXPBHLPXPRQOC-OKILXGFUSA-N 307.394 1.495 0 40 DDAB CCN=c1cc(C)nc(N2CCN(Cc3cc(C)on3)CC2)[nH]1 2087126140 UCCOZDLPWKTGCQ-UHFFFAOYSA-N 316.409 1.257 0 40 DDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)CCc3ccc[nH]3)C[C@@H]2C1 1565554054 QIPSKMIRXBFINP-QKDCVEJESA-N 317.433 1.957 0 40 DDAB CCOc1nc(OCC)nc(-n2cc(-c3ccccc3)nn2)n1 105005 DZPXXAXXCOJHSP-UHFFFAOYSA-N 312.333 1.917 0 40 DDAB Cc1nsc(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298210813 BGEIZSPXOHNZMY-UHFFFAOYSA-N 316.390 1.937 0 40 DDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccsc1 40505260 YVLIQBUOYJUUOY-GXTWGEPZSA-N 310.419 1.215 0 40 DDAB CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]1C[C@@H](O)CN1 152374210 COJZUJBVCMDKGB-TZMCWYRMSA-N 312.797 1.290 0 40 DDAB COc1ccc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc1O 20086315 FPNCHGUMSIGBET-CYBMUJFWSA-N 313.313 1.801 0 40 DDAB CC(C)c1noc(CS(=O)(=O)Cc2nc(C(C)C)no2)n1 40106343 IFRDHJVUQWPVNK-UHFFFAOYSA-N 314.367 1.814 0 40 DDAB COC(=O)C[C@H](NC(=O)/C=C\C(=O)O)c1cccc(C)c1C 30713635 UPIZMTHUUZSLBR-WSROAFLRSA-N 305.330 1.665 0 40 DDAB Cn1cc(Br)cc1C(=O)N1CCC(C(=O)O)CC1 20214384 FBQAWDQAMJHYQN-UHFFFAOYSA-N 315.167 1.724 0 40 DDAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)N1CCOCC1 40488229 VSNYSWFGXUSXTQ-HNNXBMFYSA-N 310.419 1.573 0 40 DDAB CN1CCC(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)CC1 20616868 CZHOJIUMAKVBID-OAHLLOKOSA-N 305.353 1.529 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 218223 OOTIFBBSULXAJI-CYBMUJFWSA-N 322.430 1.674 0 40 DDAB CC[C@H](C(=O)Nc1nc2[nH]c(C)cc(=O)n2n1)c1ccccc1 101809729 VGCIRUNFFPAXGR-LBPRGKRZSA-N 311.345 1.858 0 40 DDAB O=C(NCCNC(=O)c1ccco1)NCCc1ccc(F)cc1 32754953 NDPLIOQNJXVWEY-UHFFFAOYSA-N 319.336 1.690 0 40 DDAB CSc1nc(C)c(CCC(=O)Nc2ccncc2)c(=O)[nH]1 32865939 FTKCJICRBSFLGG-UHFFFAOYSA-N 304.375 1.767 0 40 DDAB C[C@H](c1nnnn1-c1ccccc1)N1CCC2(CC1)OCCO2 52533043 LJWKVHYXXGDHSP-CYBMUJFWSA-N 315.377 1.562 0 40 DDAB COCCn1nc(C(=O)N(C)Cc2ccsc2)ccc1=O 22694436 GVIBFTBQFHYWBF-UHFFFAOYSA-N 307.375 1.223 0 40 DDAB CCNC(=O)CN(CC)S(=O)(=O)c1cccc(Cl)c1 23261299 CDLZBCREAQNRBT-UHFFFAOYSA-N 304.799 1.487 0 40 DDAB O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCOCC1 24934340 SQNGTBNZVLEADT-UHFFFAOYSA-N 303.314 1.252 0 40 DDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@@H]2CCC[C@@H]21 56195255 VLXUNSMJYZDZTK-UONOGXRCSA-N 313.361 1.120 0 40 DDAB C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CCCO1 48079698 NURDFOMFBPPEGD-TZMCWYRMSA-N 320.393 1.607 0 40 DDAB COc1ccc(-c2noc(CN3CCOC[C@H]3C)n2)cc1OC 26451569 AQRPTGMRTCNYFQ-LLVKDONJSA-N 319.361 1.975 0 40 DDAB Cc1ccc(/C=C/C(=O)OCC(=O)NC(=O)c2cccn2C)o1 7735402 PTHHICVDSYOMJR-BQYQJAHWSA-N 316.313 1.440 0 40 DDAB O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1 85975945 UOVRGVMHKJMDDR-AAEUAGOBSA-N 313.375 1.214 0 40 DDAB COC(=O)[C@@H](C)OC(=O)C[C@@H]1Sc2ccccc2NC1=O 8391620 MSMKDPBNULEUFZ-KCJUWKMLSA-N 309.343 1.594 0 40 DDAB O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1CCS(=O)(=O)C1 44721770 DEDYHZWUZDFETC-LLVKDONJSA-N 321.402 1.046 0 40 DDAB C[C@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)NC1CCCC1 58228438 MREPSSQQNKHSNE-LBPRGKRZSA-N 316.401 1.728 0 40 DDAB c1ccc(-n2ccnc2)c(CNC[C@H]2CNc3ccnn3C2)c1 58299832 JPAFBRLVKHCTIZ-AWEZNQCLSA-N 308.389 1.900 0 40 DDAB CC[C@@H](C)NC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58219806 AXEJAHMJDCJWAD-CQSZACIVSA-N 318.421 1.433 0 40 DDAB Cc1cc(CN(C)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)no1 44971307 PDMDNDPQNVBDAE-IACUBPJLSA-N 324.425 1.622 0 40 DDAB COc1ccccc1C(C)(C)CNC(=O)c1ccc(=O)n(C)n1 58393034 DIDMOERFCRDETD-UHFFFAOYSA-N 315.373 1.497 0 40 DDAB CCOC(=O)Cc1csc(NC(=O)c2cccnc2O)n1 11172644 PTHBKLWZOFZSAP-UHFFFAOYSA-N 307.331 1.602 0 40 DDAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 11317563 OWMQROQXJSDENE-UHFFFAOYSA-N 307.327 1.458 0 40 DDAB CCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 45751251 RCMZPDRZBCPHBH-OAHLLOKOSA-N 302.374 1.969 0 40 DDAB CCN(CC(=O)N1CCC2(CC1)OCCO2)c1ccccc1 59404600 SUHPVOXXCNWZCX-UHFFFAOYSA-N 304.390 1.878 0 40 DDAB C[C@@H]1COCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 46254978 WOVJMGNKPXHOEJ-TZMCWYRMSA-N 302.374 1.825 0 40 DDAB COc1cccc(COCC(=O)NCCN2CCCCC2)c1 46856156 CCGYWPQJMHJUST-UHFFFAOYSA-N 306.406 1.814 0 40 DDAB COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 101445072 DHPRZEQLXRWFOD-VTPLQMEGSA-N 321.329 1.521 0 40 DDAB C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CCCO1 46972452 WOCWXVWQVGHVDS-MJBXVCDLSA-N 319.409 1.312 0 40 DDAB CN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12390850 IEGNTHCOVZKJMC-NSHDSACASA-N 309.797 1.371 0 40 DDAB O=C1[C@@H]2[C@@H]3C[C@H](C=C3Cl)[C@H]2C(=O)N1CCN1CCCCC1 105594790 PRBXIZQWLUYXLM-HBJVGIJOSA-N 308.809 1.846 0 40 DDAB O=C(NC[C@H](O)CO)Nc1cc(Br)ccc1F 95977185 YHNRSFXZZLFILT-ZETCQYMHSA-N 307.119 1.063 0 40 DDAB COCCN1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 95982376 FHNPUTRDEMOHPS-UHFFFAOYSA-N 300.406 1.841 0 40 DDAB C[C@@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 95996365 BAWJOEFYDVYTPO-SNVBAGLBSA-N 301.312 1.701 0 40 DDAB CN(C)C(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 306127226 FSFLQHXDKZGJGP-ZDUSSCGKSA-N 307.419 1.840 0 40 DDAB NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Cl 13095314 WYYNCUOWLSTTRQ-UHFFFAOYSA-N 324.789 1.917 0 40 DDAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)c(C)c1 179306098 YGFQHWWRUILPLB-GFCCVEGCSA-N 319.448 1.323 0 40 DDAB C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@H]12 4025978 TYOLRTYWMXRCLK-HVPFXZBZSA-N 314.389 1.709 0 40 DDAB biogenic COC(=O)[C@@H]1CC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1 95919657 DRUJCAWXFFYOAX-CABCVRRESA-N 302.374 1.282 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 9322705 ZSHGLUBUPDOFDL-UHFFFAOYSA-N 306.343 1.347 0 40 DDAB CN(C(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCc2ccccc21 65436899 XGHQYBXHEAPUFJ-CQSZACIVSA-N 313.361 1.520 0 40 DDAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1cccs1 65415478 OJDZVBCUWFNGJC-UHFFFAOYSA-N 303.391 1.740 0 40 DDAB COc1ccc2cc(C(=O)NCCc3nc(C)no3)[nH]c2c1 65552593 VGSGYINAVMZSBS-UHFFFAOYSA-N 300.318 1.840 0 40 DDAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCCC1 14108383 ACOCXRCCWBSAOJ-UHFFFAOYSA-N 318.402 1.334 0 40 DDAB CC(C)NC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 6672051 XCVQUIDVLMYUSS-UHFFFAOYSA-N 315.377 1.481 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CC1CCCCC1 71797425 NARAIUFTVWXGLA-CYBMUJFWSA-N 309.454 1.611 0 40 DDAB CN(C)C(=O)[C@@H]1CN(C(=S)NC2CC2)c2ccccc2O1 15155311 JQFMSZHFZHDDHH-ZDUSSCGKSA-N 305.403 1.379 0 40 DDAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCNC(=O)CC1 80179904 RNSCCJLFOFQUEZ-ZBEGNZNMSA-N 319.380 1.981 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 71871283 DYHXKMOOFWFHJP-LLVKDONJSA-N 321.808 1.960 0 40 DDAB C[C@@H]1C[C@H]1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 71883099 IMKUJFMGVRTKSK-ZYHUDNBSSA-N 319.386 1.870 0 40 DDAB Cc1nn(C[C@H](O)CN2CCC(C)CC2)c(=O)c2ccccc12 71825068 DABSJOLPCLJHNB-OAHLLOKOSA-N 315.417 1.798 0 40 DDAB CCc1ccccc1OCC(=O)N1CCN(C[C@@H](C)O)CC1 71870998 MDSDDMDXLMNXNC-CQSZACIVSA-N 306.406 1.153 0 40 DDAB CCOC(=O)CNC(=O)c1ccc(Cl)cc1N1CCCC1=O 84793499 GDOKCKAKGVDMAF-UHFFFAOYSA-N 324.764 1.760 0 40 DDAB CCC(=O)N[C@](Nc1cccc(C)n1)(C(=O)OC)C(F)(F)F 19998218 KOBSDOKGKQIHLX-GFCCVEGCSA-N 319.283 1.760 0 40 DDAB C[C@@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccncc1 81470914 WVHNNSXDYKDNSX-SKDRFNHKSA-N 303.284 1.851 0 40 DDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2cccc(C)c2)C1=O 8156191 LUVYTMCODFQSAO-ZBEGNZNMSA-N 319.361 1.514 0 40 DDAB CCc1ncc2c(n1)CN([C@H](C)C(=O)Nc1cc(C)on1)CC2 70038591 WVDYTPFQSJOJNK-LLVKDONJSA-N 315.377 1.721 0 40 DDAB c1ccc(Cc2nnc(CN3CCC[C@@H]3Cn3cncn3)o2)cc1 69488856 HBOMEZSMLPYJHV-OAHLLOKOSA-N 324.388 1.917 0 40 DDAB O[C@@H](COC[C@@H]1CCCO1)CN1CCc2c(ncn2C2CC2)C1 69565326 BLRSYOTTXZVFMT-CABCVRRESA-N 321.421 1.133 0 40 DDAB CCCc1cc(N[C@H]2CCc3nc(C)nn3C2)n2ncnc2n1 69631263 PVBOQOGFWGFZKK-LBPRGKRZSA-N 312.381 1.404 0 40 DDAB CCOC(=O)[C@]1(CC(C)C)C[C@@H](CSC(=N)N)OC1=O 8556671 MXAUZRYYPQMEBU-ZANVPECISA-N 302.396 1.524 0 40 DDAB CC(=O)c1ccc(OCc2nc(N)nc(N(C)C)n2)cc1F 69774168 ZAGIDUVFKFZTGG-UHFFFAOYSA-N 305.313 1.441 0 40 DDAB Cc1c(Cl)c(CN2CCOC[C@H]2C(N)=O)nc2ccccc12 92229567 GYRHREHMLGEHSJ-AWEZNQCLSA-N 319.792 1.883 0 40 DDAB Cc1csc(CN2CCN(c3cncc4ncnn34)CC2)n1 97083866 MEYBHYACQZYRIZ-UHFFFAOYSA-N 315.406 1.211 0 40 DDAB Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)oc2c1C(=O)CCC2 95425494 PXBWRJVHUTXOSN-JTQLQIEISA-N 321.329 1.423 0 40 DDAB CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(C)cc1N(C)C 95437007 WZOHUOOPLKCGOQ-CQSZACIVSA-N 318.421 1.481 0 40 DDAB Cc1nnc2n1C[C@H](NC(=O)c1cc(-c3ccccc3)on1)CC2 97198223 SYPBEORJGWGANK-CYBMUJFWSA-N 323.356 1.986 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CCc2nccn2C1 97197472 WDPGWRCMOXJKEP-SECBINFHSA-N 313.283 1.230 0 40 DDAB COc1cc(CCNC(=O)N2CC[C@H]([C@H](C)O)C2)ccc1F 97108119 GKIMTDMVQVJUDZ-AAEUAGOBSA-N 310.369 1.789 0 40 DDAB CC(CO)(CO)NC(=O)Nc1ncc(-c2ccccc2)s1 72314051 OYERPOHKQYAVIU-UHFFFAOYSA-N 307.375 1.675 0 40 DDAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)n[nH]1 72301144 CKLGKNXXYPBODE-BPLDGKMQSA-N 313.405 1.961 0 40 DDAB C[C@@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@H](C(N)=O)O1 89496854 FTNPCLWBABQULH-BXKDBHETSA-N 307.375 1.478 0 40 DDAB Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C)n1C(C)C 89575558 CAPNOVKNNMWCHS-GXTWGEPZSA-N 307.394 1.449 0 40 DDAB O=C(NC[C@@H]1CCCCO1)c1ccc(-c2ccco2)[nH]c1=O 75125133 OPVOCCXSCKFKCD-NSHDSACASA-N 302.330 1.934 0 40 DDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1nc(O)ccc1=O 89904681 XMUVZEINQMUFRV-SECBINFHSA-N 323.299 1.447 0 40 DDAB CCC[C@@](C)(O)CNC(=O)c1cccnc1N1CCOCC1 76019206 SEXACOGYFCXQFU-MRXNPFEDSA-N 307.394 1.199 0 40 DDAB CC(C)OC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 24165104 ZXLLZWUUFXEAIB-UHFFFAOYSA-N 306.362 1.523 0 40 DDAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(C)CC3)c2c1 20331039 HRIUJGGWLMHTHS-UHFFFAOYSA-N 301.390 1.915 0 40 DDAB Cc1cc(C)n(CCCNC(=O)Cn2nnc3ccccc32)n1 28235310 IXXFPCVDEKQBOD-UHFFFAOYSA-N 312.377 1.451 0 40 DDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1 408723081 MSZMPUDNYCQYOT-UMPJEAMMSA-N 313.309 1.445 0 40 DDAB CCc1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)no1 1553071386 LBHQUIXIRAFADW-LLVKDONJSA-N 309.366 1.775 0 40 DDAB CCc1cc(N2C[C@H](OC)C[C@H]2c2nncn2C)nc(C)n1 519654375 ACVKSZKYMRVEIB-OLZOCXBDSA-N 302.382 1.442 0 40 DDAB Cc1cccc(S(=O)(=O)NC[C@@H](O)COc2ccccc2)c1 532774868 WNFQWUMHFFTBEI-CQSZACIVSA-N 321.398 1.713 0 40 DDAB CC(C)N(C)CC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 79050403 SQCKIPQNJBJXTO-INIZCTEOSA-N 305.422 1.929 0 40 DDAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2CCO)n1 72376759 XULVVHRFDPGAKT-AWEZNQCLSA-N 302.353 1.994 0 40 DDAB CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C)Cc2ccccc2)C1 79415724 JYXARWYHWBYJIE-SJORKVTESA-N 303.450 1.950 0 40 DDAB CCCCNS(=O)(=O)c1ccc(NCC)c(C(=O)O)c1 217700391 UJRBCURFXKNRBE-UHFFFAOYSA-N 300.380 1.895 0 40 DDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC 217707806 YTBDBXBPQFBSGA-VIFPVBQESA-N 300.380 1.893 0 40 DDAB Cc1cc(C)n(-c2cncc(NCCNC(=O)C(C)(C)C)n2)n1 78516057 JIZNECDKMJEJBW-UHFFFAOYSA-N 316.409 1.853 0 40 DDAB Cc1nc2ccc(C(=O)N3CCCS(=O)(=O)CC3)cc2n1C 526002742 YQTHLRPSXNDYST-UHFFFAOYSA-N 321.402 1.142 0 40 DDAB Cc1cc(NC(=O)c2nccnc2C(=O)O)n(-c2ccccn2)n1 71287432 ARWLSVNEDFVLTD-UHFFFAOYSA-N 324.300 1.316 0 40 DDAB C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCc2ccccc2CC1 130905071 RKMOEBMGGLLOQZ-PBHICJAKSA-N 318.417 1.991 0 40 DDAB Cc1nc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)sc1C 43549511 JWMVQRMTOQZBGL-VIFPVBQESA-N 303.409 1.316 0 40 DDAB COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(C)cc1 44891471 ZCJBGMOQIYILHR-AWEZNQCLSA-N 314.341 1.718 0 40 DDAB CC(C)[C@H](C(=O)NCC1(O)CCCCCC1)N1CCCC1=O 96411769 VSIWLXVWYDFKBU-OAHLLOKOSA-N 310.438 1.835 0 40 DDAB CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CCNCC2 96260530 RBBBDBHGBXJGHM-UHFFFAOYSA-N 304.438 1.976 0 40 DDAB CCc1ccccc1S(=O)(=O)N(C[C@H](O)CO)C(C)C 420771452 RWDHCJBDSWSFAR-ZDUSSCGKSA-N 301.408 1.001 0 40 DDAB COc1ccc(N2CCC[C@H](C(=O)Nc3cccnc3)C2)nn1 95474996 CXIMNZLYCSMMQG-LBPRGKRZSA-N 313.361 1.735 0 40 DDAB COCC(=O)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96221765 MOZJIZIADSFLCZ-AWEZNQCLSA-N 306.362 1.257 0 40 DDAB O=C(c1n[nH]c2c1CN(C1CCOCC1)CC2)N1CCCC1 96187393 MICDMVOTUGBHPT-UHFFFAOYSA-N 304.394 1.183 0 40 DDAB O=C1CCC2(CCN([C@@H]3CCOC3)CC2)N1Cc1cccnc1 96228153 BFTJOMAYKGRBSQ-MRXNPFEDSA-N 315.417 1.828 0 40 DDAB Cc1ncc(NC(=O)CN2CCN(c3ccccn3)CC2)s1 331893829 TVGRHVYZSHKZBZ-UHFFFAOYSA-N 317.418 1.607 0 40 DDAB CCNC(=O)CN1CCN(Cc2ccccc2N(C)C)CC1 96441358 SZGXIOYLXLTKKK-UHFFFAOYSA-N 304.438 1.006 0 40 DDAB O=C(c1cccnc1)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 96042384 KQKWRGAYIRKNBX-OAGGEKHMSA-N 302.374 1.880 0 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1.157 0 40 DDAB CNC(=O)C[C@H]1CN(CCCOc2ccccc2F)C[C@@H]1OC 585278180 MMJNUDBKHUUEFU-BBRMVZONSA-N 324.396 1.678 0 40 DDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)CCc1ccc[nH]1)C2 585111039 VWEQKUIEQDZPKT-AWEZNQCLSA-N 316.405 1.936 0 40 DDAB CCOCc1nnc2n1CCN(Cc1cc(C)nn1C)[C@@H]2C 585098099 UEIYFDSJLDMTBX-GFCCVEGCSA-N 304.398 1.433 0 40 DDAB Cn1cc(-c2cncc(C(=O)Nc3nnc(C4CC4)n3C)c2)cn1 585113379 XOXYYTXRDGHWQG-UHFFFAOYSA-N 323.360 1.740 0 40 DDAB CCCCO[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 72288612 IGDLKGDZHCOBMM-DGCLKSJQSA-N 311.403 1.836 0 40 DDAB O=C(Cn1cnc2ccsc2c1=O)NOCc1ccccc1 45104016 JHPFMHFINDOJFY-UHFFFAOYSA-N 315.354 1.706 0 40 DDAB O=C1CN(C(=O)CCOC[C@@H]2CCCO2)c2ccccc2N1 78804383 CKJOHLLRHXQSEP-LBPRGKRZSA-N 304.346 1.557 0 40 DDAB C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 13068777 LUBCPXRSOYUHNR-LLVKDONJSA-N 304.371 1.825 0 40 DDAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccco1 390832496 ZSDQQLAHIXCLPQ-MRVPVSSYSA-N 314.267 1.926 0 40 DDAB CCOc1ccc(CC(=O)NC2CN(c3cnccn3)C2)cc1 1888856966 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CC(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 50042862 MUYTXAKWRZDALH-UHFFFAOYSA-N 324.446 1.928 0 40 DDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(C(N)=O)cc1 30708144 HNUFDRBOLHRIJZ-KRWDZBQOSA-N 323.396 1.458 0 40 DDAB O=C(Cc1cccs1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 40512859 BUFIHTHHKFNJGO-DZGCQCFKSA-N 324.446 1.144 0 40 DDAB CCN(CC(=O)NC1CCN(C(C)=O)CC1)c1ccccc1 52857391 VANZKEWGEVFPMS-UHFFFAOYSA-N 303.406 1.640 0 40 DDAB Cn1ccnc1[C@H](NC(=O)c1csnn1)c1ccccc1F 41614949 JMYPYVMIDJLCBU-GFCCVEGCSA-N 317.349 1.930 0 40 DDAB CC(=O)NCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 23994354 BAGFBVGQJYQNFB-UHFFFAOYSA-N 310.297 1.120 0 40 DDAB COC(=O)c1ccc(NCC(=O)NCC(F)(F)F)c(C)c1 24355860 QAAIJEDPFSRNLN-UHFFFAOYSA-N 304.268 1.872 0 40 DDAB Cc1nc(C)c(C(=O)NCCNC(=O)c2ccccc2)s1 43491551 IAWAHAIXRQWHMR-UHFFFAOYSA-N 303.387 1.920 0 40 DDAB CCc1c(O)sc2c(c1=O)=C(NCC(C)C)CC(C)(C)N=2 1588839 MEEKBTYLVOKWDF-UHFFFAOYSA-N 308.447 1.532 0 40 DDAB Cc1ccoc1C(=O)NCc1ccnc(N2CCOCC2)c1 25290838 GJXKTVQSXCBFOC-UHFFFAOYSA-N 301.346 1.750 0 40 DDAB COc1cc(F)ccc1NC(=O)c1cccc(OCC(N)=O)c1 25312944 GLSHOFZZJWLJHC-UHFFFAOYSA-N 318.304 1.951 0 40 DDAB O=C(CN1CCC[C@H]1CN1CCC[C@H]1CO)Nc1ccccc1 107069641 PBLFCFWGCZXDNN-IRXDYDNUSA-N 317.433 1.546 0 40 DDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc(Br)o1 43503511 LYDSADAFGZJUOE-JTQLQIEISA-N 320.164 1.732 0 40 DDAB CN(CC(=O)N[C@@H]1CCc2ccccc21)c1ncnc2[nH]cnc12 56283537 XZBPCVCBUSPWNG-CYBMUJFWSA-N 322.372 1.593 0 40 DDAB COCCNC(=O)[C@@H](C)OC(=O)C1=Cc2ccccc2OC1 4982282 JRBIRCYWJKPYER-LLVKDONJSA-N 305.330 1.157 0 40 DDAB Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 6217731 LLXPFZWBFBDPFL-NSHDSACASA-N 317.794 1.331 0 40 DDAB O=C(NCCn1ccnc1)c1ccc(OC[C@@H]2CCCO2)cc1 43945956 RBNDVQUEKYUBLS-INIZCTEOSA-N 315.373 1.871 0 40 DDAB NC(=O)[C@H](NC(=O)c1ccc(NC2CC2)nc1)c1ccccc1 57196332 OFMWKYNRGNSCLQ-OAHLLOKOSA-N 310.357 1.612 0 40 DDAB C[C@]1(NC(=O)Cc2ccc(Cl)cc2)CCS(=O)(=O)C1 57475835 NTFNNLLJDVUNIP-ZDUSSCGKSA-N 301.795 1.576 0 40 DDAB CCn1c(C)cc(C(=O)N2CCN(c3ncccn3)CC2)c1C 27066238 BBCQORPRLACPBR-UHFFFAOYSA-N 313.405 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C[C@@H](CC(=O)N1CCCCCC1)NC[C@H]1CCCS1(=O)=O 90466009 DRLHXZJLZNIOHA-UONOGXRCSA-N 316.467 1.334 0 40 DDAB CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)NC(=O)NC 88562036 HHJYPENZKVQSPD-CYBMUJFWSA-N 304.394 1.173 0 40 DDAB O=C1CCN(C(=O)Cc2ccc(Br)cc2)CCN1 71839612 KDNLYZZUOJEYLF-UHFFFAOYSA-N 311.179 1.340 0 40 DDAB C[C@@H](CN(C)c1ccccc1)NC(=O)CCCn1cncn1 68443976 FMWHOASWBUXHHO-AWEZNQCLSA-N 301.394 1.699 0 40 DDAB COc1ccc(CCNC(=S)N2CCN(C(C)=O)CC2)cc1 7735188 MELNDCXYBNDZMR-UHFFFAOYSA-N 321.446 1.276 0 40 DDAB Cn1cc([C@H]2C[C@H]2C(=O)OCc2nnnn2-c2ccccc2)cn1 71859328 JRTDNWSOLYFJIZ-ZIAGYGMSSA-N 324.344 1.243 0 40 DDAB CC(=O)N1CCN(C(=O)c2cc(Br)cs2)CC1 71835106 OEWCLIRWDUSLMN-UHFFFAOYSA-N 317.208 1.815 0 40 DDAB O=C(COC(=O)c1ccc2c(c1)CCC2)NC[C@H]1CCCO1 7888115 UVBSADMSJVMKBV-OAHLLOKOSA-N 303.358 1.627 0 40 DDAB CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 95951783 GNULLGUTRXKASE-BBRMVZONSA-N 309.454 1.672 0 40 DDAB CC[C@H](C(=O)NCc1cccnc1N(C)C)N1CCCC1=O 71922184 NQKUGYOPJQDUJB-CYBMUJFWSA-N 304.394 1.165 0 40 DDAB COc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cn1 8018470 DVCBLPRURWADGH-UHFFFAOYSA-N 320.370 1.893 0 40 DDAB COC(=O)c1cc(F)c(C)c(NCC(=O)N2CCOCC2)c1 69490803 IKBJUULGOKWNIO-UHFFFAOYSA-N 310.325 1.191 0 40 DDAB CN1CCC(CN(C)c2cc(N3CCC[C@@H]3CO)ncn2)CC1 72276279 ZJAORRAZTOWHJE-OAHLLOKOSA-N 319.453 1.216 0 40 DDAB NC(=O)COc1ccccc1C(=O)N[C@H]1CCc2ccccc2C1 71088954 NOVCJEZRFLLCFY-HNNXBMFYSA-N 324.380 1.838 0 40 DDAB C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@@H]2CC=CCC2)CC1 93057350 HPXFPHRKMVUPKI-IAGOWNOFSA-N 321.465 1.208 0 40 DDAB COC(=O)c1cn(C2CCN(Cc3ccn(C)c3)CC2)nn1 97139369 FYGXBKFRSKGLRY-UHFFFAOYSA-N 303.366 1.240 0 40 DDAB CC(C)OC(=O)c1cccnc1N1CC[S@@](=O)C(C)(C)C1 97140767 QMOOBNXTCRHYHZ-NRFANRHFSA-N 310.419 1.994 0 40 DDAB COC(=O)c1ncn(Cc2nc(CCc3ccccc3)no2)n1 72304110 GHXULYYSQZXDLQ-UHFFFAOYSA-N 313.317 1.281 0 40 DDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCNC2)n1 72343417 PAKSTNHCKBJDJF-CYBMUJFWSA-N 311.389 1.385 0 40 DDAB O=C(CSc1cn[nH]n1)N1CCO[C@H](c2ccc(F)cc2)C1 97227673 IIBITAILOMVFPL-LBPRGKRZSA-N 322.365 1.636 0 40 DDAB CCn1cc(C2CCN(CCCN3C(=O)CNC3=O)CC2)cn1 97203654 LBRWVGBYMRICHV-UHFFFAOYSA-N 319.409 1.024 0 40 DDAB O=C(CCc1cccs1)N1CCN(C(=O)[C@H]2CCCO2)CC1 72574191 QQBMVTWLMZBGHY-CQSZACIVSA-N 322.430 1.531 0 40 DDAB COc1cccc2cc(CNCC3(C(N)=O)CCOCC3)oc12 86250438 BRWSHTUHHCBFNB-UHFFFAOYSA-N 318.373 1.813 0 40 DDAB CN1CCCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 95351419 LDLKWBOGNQSIKK-UHFFFAOYSA-N 306.431 1.941 0 40 DDAB C[C@H]1Sc2ccc(C(=O)NCCN(C)C3CC3)cc2NC1=O 84678170 OTJAOZUUQUIULS-SNVBAGLBSA-N 319.430 1.943 0 40 DDAB CCCc1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1 95430210 ODTCZWMTZMFNBA-UHFFFAOYSA-N 320.433 1.406 0 40 DDAB COc1ccccc1CN(C)C(=O)CN1C[C@@H](C)N(C)C[C@@H]1C 95454192 SECQPTZCXROGIW-CABCVRRESA-N 319.449 1.678 0 40 DDAB COC(=O)[C@@H]1CCCC[C@H]1OC(=O)CCCCCNC(C)=O 95456196 ZYOBXLNFYAISIP-ZIAGYGMSSA-N 313.394 1.958 0 40 DDAB C[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(OCC2CC2)c(F)c1 95413214 XFTFMNSQPLBFCV-QMMMGPOBSA-N 320.324 1.517 0 40 DDAB CS(=O)(=O)N(CCCO)c1cccc(Br)c1 95449575 QLKCVCOUVHFCCH-UHFFFAOYSA-N 308.197 1.598 0 40 DDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCOc2ccccc21 89801925 VYQMFLTWATVOGZ-UKRRQHHQSA-N 302.374 1.536 0 40 DDAB CC[C@@H](OC1CCCCC1)C(=O)NCc1nnnn1C1CC1 89941895 LQPMPMPKYHEJIT-CYBMUJFWSA-N 307.398 1.752 0 40 DDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cncn1 89969177 FEUGTBRDWHOTDN-ZDUSSCGKSA-N 316.361 1.357 0 40 DDAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 63528489 XLCMDCWNWKDFDR-KBPBESRZSA-N 312.410 1.539 0 40 DDAB CCn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCCN12 72342169 MYHHJVBYHLOUKA-UHFFFAOYSA-N 303.753 1.678 0 40 DDAB CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1nc2ccccc2[nH]1 78418371 CGPZQXZXHWADAD-XHDPSFHLSA-N 314.389 1.855 0 40 DDAB CCN(CC)C(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1 32913262 JVNQLGCHMQUHRZ-HNNXBMFYSA-N 318.421 1.872 0 40 DDAB O=C(O)CNC[C@H]1CCCCN1C(=O)OCc1ccccc1 79391520 JZXBSCBRIMEDOD-CQSZACIVSA-N 306.362 1.852 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(CN)CN 218373599 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COc1cccc(CS(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 96427703 WLWBNCAREJUIDT-CQSZACIVSA-N 324.446 1.599 0 40 DDAB CCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@H]2COC 96045179 JWCHKLMMHWYTOM-LBPRGKRZSA-N 302.378 1.628 0 40 DDAB CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cccs2)O1 96057476 CCRUQXNQZLJTNA-IJLUTSLNSA-N 308.403 1.598 0 40 DDAB Cn1c(COC(=O)c2c[nH]c(=O)c(Cl)c2)nnc1C1CC1 95459254 FLHJVVBBBFRFQV-UHFFFAOYSA-N 308.725 1.391 0 40 DDAB Cc1ccc(=O)n(CC(=O)N(Cc2ccccc2)CC(F)F)n1 96432648 JCUTZICKDPRBTO-UHFFFAOYSA-N 321.327 1.846 0 40 DDAB O=C1CC[C@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)N1 96412574 LLPJYTPDONEJTD-MNOVXSKESA-N 317.172 1.422 0 40 DDAB COc1c(Br)c(C(=O)Nc2nccs2)nn1C 96181046 GXRQQQOOUHAOKP-UHFFFAOYSA-N 317.168 1.900 0 40 DDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@H]2OC 96110980 ZBFGLHZHHUEPLY-GVDBMIGSSA-N 318.417 1.494 0 40 DDAB c1cncc(O[C@H]2CO[C@]3(CCN(Cc4c[nH]cn4)C3)C2)c1 96218550 ADBODCDKPQXQIV-HZPDHXFCSA-N 300.362 1.617 0 40 DDAB O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1cnc2ccsc2c1 95441168 ANBSWTWQYUOAPN-CABZTGNLSA-N 312.416 1.736 0 40 DDAB COc1ccccc1CCCn1c(-c2cnccn2)noc1=O 97235915 LQAPFMFGHUEGDN-UHFFFAOYSA-N 312.329 1.935 0 40 DDAB Cc1nc(CCNC(=O)NCCC(=O)N2CCCC2)sc1C 96476140 MSYVJTVSRDMECY-UHFFFAOYSA-N 324.450 1.614 0 40 DDAB CNC(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 95403619 WQKUQTLEXQYLFY-SECBINFHSA-N 306.284 1.665 0 40 DDAB Cc1ccc(CN2Cc3ccnn3[C@H](C(=O)NC(C)C)C2)o1 248068923 FQSXKUCYGYZXPQ-HNNXBMFYSA-N 302.378 1.866 0 40 DDAB O=C(NCc1ccco1)[C@H]1CN(C2CCC2)Cc2ccnn21 247522333 XWKRNSFCGKVPGF-OAHLLOKOSA-N 300.362 1.702 0 40 DDAB CC(=O)N1CCC[C@@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 257264918 LWNKGJHIPLBCIJ-GFCCVEGCSA-N 318.377 1.938 0 40 DDAB CN(C)Cc1cncc([C@@H]2CCCN2Cc2cn(C)cn2)n1 257262872 LNIHNCOEDQWKCS-INIZCTEOSA-N 300.410 1.609 0 40 DDAB CC(=O)N1CCN(C(=O)c2cncnc2C)C[C@@H]1c1ccccc1 257332260 XWLZWMHQXHXKDD-QGZVFWFLSA-N 324.384 1.831 0 40 DDAB COc1cc(CCC(=O)N2CCC[C@@H]2c2ccnc(O)n2)on1 257225423 FGDLGPFVYJSIKL-GFCCVEGCSA-N 318.333 1.475 0 40 DDAB Cn1cc(Cc2nc(CC(=O)NC3CCCCC3)no2)cn1 265046216 RUPAIMZXHQRLLC-UHFFFAOYSA-N 303.366 1.385 0 40 DDAB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccoc2)cc1F 90613207 IAIORCZSMJQUFR-CQSZACIVSA-N 320.320 1.906 0 40 DDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)o1 585112609 RWYQJXRYGASRTE-AWEZNQCLSA-N 317.393 1.613 0 40 DDAB CCOCCN1CCN(Cc2nnc(-c3occc3C)o2)CC1 69776411 POOZGMMHYLKTHZ-UHFFFAOYSA-N 320.393 1.792 0 40 DDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1 69811223 VGWZOBKAONDZRL-CYBMUJFWSA-N 312.435 1.800 0 40 DDAB CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 31194006 ZEMUWGLYDFMMFX-UHFFFAOYSA-N 317.389 1.692 0 40 DDAB Cc1nc(C(=O)O[C@H](C)C(=O)N(C)C)nn1-c1ccc(F)cc1 32828772 RIUAJPOIFULXGM-SECBINFHSA-N 320.324 1.348 0 40 DDAB Cc1cccc(C2(C(=O)N3CCN(C[C@@H](C)O)CC3)CCC2)c1 71871178 YJHSEMJIWSGEQY-MRXNPFEDSA-N 316.445 1.942 0 40 DDAB O[C@@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 72285230 OVQXJQNHJVBPHO-ZDUSSCGKSA-N 315.339 1.993 0 40 DDAB Cc1n[nH]c(SCC(=O)N(Cc2cccnc2)C2CC2)n1 73414606 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CC(=O)N1CCc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2C1 225551170 AXEQPTRFWDMCHZ-INIZCTEOSA-N 317.389 1.892 0 40 DDAB Cn1cc(CN2CCO[C@](CO)(Cc3ccccc3)C2)cn1 643914327 OWMRCDVCVRUOJD-QGZVFWFLSA-N 301.390 1.226 0 40 DDAB CCc1ccccc1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22584877 WSNGTUDKBVJLEL-HNNXBMFYSA-N 319.405 1.278 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)NCCc1ccc(F)cc1 585149899 YKVSTHXXCGMMAM-UONOGXRCSA-N 306.381 1.893 0 40 DDAB Cc1noc(C)c1CN1CCO[C@H](C(=O)N2CCCCC2)C1 1888900939 DJYFZWVJZQHAFZ-HNNXBMFYSA-N 307.394 1.505 0 40 DDAB CC(C)N(C)CC(=O)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1190351193 TVOADGJPFZTOAP-DLBZAZTESA-N 316.449 1.455 0 40 DDAB CCCC(=O)NCCS(=O)(=O)N1CCc2ccccc2C1 10704884 OEGCXVXQTKLZMV-UHFFFAOYSA-N 310.419 1.291 0 40 DDAB COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CO)cc1=O 12230769 ZTFGDFZRGXSQLI-UHFFFAOYSA-N 322.748 1.641 0 40 DDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 17244223 KIBKMHKWUBUFEX-FRRDWIJNSA-N 302.440 1.163 0 40 DDAB COC(=O)CCCNC(=O)c1ccnc(O[C@H]2CCSC2)c1 225724258 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c1cnc(-n2cccn2)c(CNC[C@H]2CNc3ccnn3C2)c1 58299736 VSBAGCREWIEVQR-ZDUSSCGKSA-N 309.377 1.295 0 40 DDAB C[C@H](N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1)C(C)(C)C 58292123 FMZBQVWOTFBBMI-NSHDSACASA-N 323.422 1.717 0 40 DDAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(-c2ccccn2)noc1=O 58293182 JVVCLFHELRZMHC-NEPJUHHUSA-N 316.361 1.593 0 40 DDAB CCN(CCO)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 44969121 HGTZMEQVHYOGSR-UHFFFAOYSA-N 317.393 1.408 0 40 DDAB O=C1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCN1 28622870 WFGKCGFKZQOONE-UHFFFAOYSA-N 318.764 1.157 0 40 DDAB CCC(=O)N[C@H](C(=O)NCCCn1ccnc1)c1ccccc1 95397286 AVUBVHTYOXLCDS-INIZCTEOSA-N 314.389 1.657 0 40 DDAB CCc1ccc(NC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc1 11411327 FPTLEJUWAWXWRT-UHFFFAOYSA-N 304.375 1.961 0 40 DDAB C[C@@H](NC(=O)Cn1c(-c2ccccc2)noc1=O)c1ccco1 84661265 JBHLPOACRHBMDM-LLVKDONJSA-N 313.313 1.974 0 40 DDAB Cc1nnnn1-c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 29447165 NKRBNFIQROPCQS-UHFFFAOYSA-N 320.316 1.494 0 40 DDAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1 27642172 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CCn1nnnc1S[C@H](C)C(=O)N1CCc2ccccc21 9500728 GKOVDSHRDWQDFN-SNVBAGLBSA-N 303.391 1.763 0 40 DDAB O=C1CCN(C(=O)CCCc2nc3ccccc3s2)CCN1 71839430 GDUXVMYIWBQJIP-UHFFFAOYSA-N 317.414 1.968 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 71871175 OSHZGQFXQGBEKX-LLVKDONJSA-N 305.353 1.446 0 40 DDAB Cn1ccnc1CNc1cccnc1N1CCC(CO)CC1 91064907 KROWISLPTCUROT-UHFFFAOYSA-N 301.394 1.636 0 40 DDAB Cc1c[nH]cc1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71841542 ZBIDDMACBUKKJS-GFCCVEGCSA-N 303.337 1.536 0 40 DDAB Cn1cnc2c1CCN(C[C@H](O)COCc1ccccc1F)C2 69486473 JMEXIIPHUDHFKZ-AWEZNQCLSA-N 319.380 1.495 0 40 DDAB Cc1ccccc1CC(C)(C)NC(=O)CCNS(C)(=O)=O 69456488 BGYKCGIALMNYNF-UHFFFAOYSA-N 312.435 1.372 0 40 DDAB CN1CCO[C@@H](CN[C@H](C(=O)N2CCCC2)c2ccccc2)C1 69493080 AIKXJEADPSWXGY-IRXDYDNUSA-N 317.433 1.270 0 40 DDAB c1ncn(C[C@@H]2CCCN2Cc2nc(-c3ccoc3)no2)n1 69601709 BHGFVIJRMDSCOW-LBPRGKRZSA-N 300.322 1.586 0 40 DDAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(S(N)(=O)=O)cc1 17851833 DRHUNQSXVGDWBY-DGCLKSJQSA-N 308.403 1.868 0 40 DDAB CCN1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 69897434 BNMIEQVOAYRVFE-UHFFFAOYSA-N 319.434 1.711 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc(N(C)C)nn2)C1 69849151 VBZSTCKPTOJAIL-ZDUSSCGKSA-N 314.393 1.525 0 40 DDAB CNC(=O)CNC(=O)CSc1nccn1-c1ccccc1C 8746243 OHLFXQLPJZKTOJ-UHFFFAOYSA-N 318.402 1.135 0 40 DDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccncc1 8707519 VMBPDRKZAROIHX-NSHDSACASA-N 320.370 1.892 0 40 DDAB CCN1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1 8739207 KKQIYYGKENVGDH-UHFFFAOYSA-N 302.353 1.718 0 40 DDAB O=S(=O)(C1CC1)N1CCC(NCc2cccc(O)c2)CC1 84962071 YKCMOVVEUGBXPT-UHFFFAOYSA-N 310.419 1.438 0 40 DDAB CC(C)c1nc(N(C)C)nc(N2CCNC(=O)[C@H]2C(C)C)n1 92939669 KFWADMPYOHVNGN-LLVKDONJSA-N 306.414 1.022 0 40 DDAB Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c2c(C)n[nH]c2n1 71185515 QGPOXTZGLNZZOO-UHFFFAOYSA-N 311.349 1.131 0 40 DDAB CCn1cc(C(=O)NC[C@H](Cc2ccccc2C)C(=O)O)cn1 97018810 XEIPTWVFDGNHRR-AWEZNQCLSA-N 315.373 1.885 0 40 DDAB Cc1ccnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 97081341 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C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc3O2)C[C@@H]1N(C)C 76050724 XOHSHJGPVVHHAP-DYEKYZERSA-N 306.431 1.948 0 40 DDAB CCc1nc(CC(=O)N=c2ccn([C@@H]3CCNC3)[nH]2)cs1 548672790 KJZHVRDBHCWIHP-LLVKDONJSA-N 305.407 1.040 0 40 DDAB NC[C@H]1CCCc2ccc(C(=O)NCc3cc(N)ccn3)cc21 1552920431 AOWXKXMILXTGNE-CQSZACIVSA-N 310.401 1.972 0 40 DDAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CNCCO1 35605741 GYJOZTWAGQNZKH-GFCCVEGCSA-N 320.414 1.938 0 40 DDAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccccn1 524735502 GIKCQXXRVUFMMI-NSHDSACASA-N 300.347 1.748 0 40 DDAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccnn1C(C)C)CC(=O)O2 524734385 ABOBPQHNVWCWHZ-LLVKDONJSA-N 301.346 1.912 0 40 DDAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)[C@@H]1CCOC1 78415505 YQVIMRUQKSVTEU-WBMJQRKESA-N 307.346 1.150 0 40 DDAB O=C(NC[C@H]1CNCCO1)NC[C@@H]1CCCc2ccccc21 566551085 XQKXTKPDAHRAQH-LSDHHAIUSA-N 303.406 1.394 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 72279062 ZMPDUAFGAVGGQT-SMDDNHRTSA-N 315.421 1.777 0 40 DDAB CN1CCCC[C@@H](C2CCN(Cc3cnn(C)c3)CC2)C1=O 72372021 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CCCn1c(C)nnc1S[C@H]1CCN(c2cnn(C)c2)C1=O 89637891 HPTKWQNARCALPN-LBPRGKRZSA-N 320.422 1.628 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)CC(c3cccs3)=NO2)CC1 226747924 AJTXMCJMQCBMIK-HNNXBMFYSA-N 307.419 1.795 0 40 DDAB CCN1CCN(C(=O)c2cn(-c3ccc(OC)cc3)cn2)CC1 226753501 IKLHJDTVZWWFCY-UHFFFAOYSA-N 314.389 1.659 0 40 DDAB CC(C)CSCCCNC(=O)N[C@H]1C(=O)NCC[C@H]1C 193920154 AEYPYFQEZJDNMO-VXGBXAGGSA-N 301.456 1.590 0 40 DDAB CCN(CC)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181699 GGXQBJDQZWTRKJ-CABCVRRESA-N 308.353 1.592 0 40 DDAB CNC(=O)C[C@@H]1COC2(CCN(c3ncc(C)cn3)CC2)C1 96221919 PJVTWINSLCITCI-ZDUSSCGKSA-N 304.394 1.297 0 40 DDAB CNC(=O)NC(=O)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 96409570 XBZXJHGAWGILJB-UHFFFAOYSA-N 321.221 1.259 0 40 DDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Cc2cccc(F)c2)C1 96419149 RROPQURPLINPIX-UONOGXRCSA-N 313.394 1.840 0 40 DDAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cnccn3)nn12 95476331 VTIKANSSYOIUIP-UHFFFAOYSA-N 318.753 1.697 0 40 DDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)CC2CC2)cn1 96186515 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O=C(O)COc1ccc(CN2CC[C@@H](c3ccn[nH]3)C2)cc1 257254446 KDCIQPJUJKCXTF-CYBMUJFWSA-N 301.346 1.863 0 40 DDAB COCCOCC(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257285131 PFUMMWLIKPWNLE-KBMXLJTQSA-N 320.389 1.360 0 40 DDAB CC(=O)N1CC[C@H](Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1 257201300 AHBUPBQONDYCSK-CQSZACIVSA-N 313.405 1.905 0 40 DDAB CN(CCC(=O)N1CC[C@@H](c2ccn[nH]2)C1)Cc1ccccn1 257282752 OVDKZOVJKGRDHK-CQSZACIVSA-N 313.405 1.643 0 40 DDAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 65493940 VGYMYUPFGOPYBP-CQSZACIVSA-N 316.398 1.786 0 40 DDAB O=C(NCC[C@H](O)c1ccccc1)C(=O)NCc1cccs1 85436513 QYCRBWGVTRQPKF-AWEZNQCLSA-N 318.398 1.604 0 40 DDAB CN1CCN(C(=O)c2cnn3cccnc23)C[C@@H]1c1ccccc1 257251238 JPZMCKMAGUEHLX-MRXNPFEDSA-N 321.384 1.858 0 40 DDAB O=C(c1ccsc1)N1CCOC[C@@H](Cc2ccncn2)C1 257294854 QVZUBFAKCZAWQZ-LBPRGKRZSA-N 303.387 1.869 0 40 DDAB CNc1cccc([C@H]2CN(C(=O)c3ocnc3C)CCO2)n1 257214011 CKDBVAPLZBQHNN-GFCCVEGCSA-N 302.334 1.633 0 40 DDAB CNc1cc([C@H]2CCCN2C(=O)CN2CCCC2=O)ccn1 257339303 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CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccsc1)C2 585104053 VOEMBOBJCDSAFV-ZDUSSCGKSA-N 315.460 1.774 0 40 DDAB Cc1nc(C)c(CN2CCc3ccc(S(N)(=O)=O)cc32)s1 72661277 BBDZSASIFFMRST-UHFFFAOYSA-N 323.443 1.970 0 40 DDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H](CF)C1 882604314 VYEKOSVAHRHFFP-LLVKDONJSA-N 315.366 1.828 0 40 DDAB Cc1ccc(NCC(=O)N2CCCC[C@H]2C)cc1-n1cnnn1 44914041 RDJOBBPFWDGRMZ-CYBMUJFWSA-N 314.393 1.784 0 40 DDAB COc1ccccc1NC(=O)NC[C@@H]1[C@@H](C)C[C@H]2NC(=O)C[C@H]21 1775964361 JKYJFTITMBIMHE-CIQGVGRVSA-N 317.389 1.977 0 40 DDAB biogenic,in-vitro Cc1ccc([C@H](C)NC(=O)c2cnc3n(c2=O)CCS3)o1 48252912 WRNLGSSRZITLKE-VIFPVBQESA-N 305.359 1.741 0 40 DDAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)CC(N)=O 49248599 COLZNMXADBJNGN-ZETCQYMHSA-N 305.161 1.704 0 40 DDAB COc1ccnc(NNC(=O)[C@H]2C[C@H]2c2ccccc2F)n1 73545965 ICRMYEXSBXZTEX-QWRGUYRKSA-N 302.309 1.871 0 40 DDAB Cc1noc(COCC(=O)N[C@H]2COc3c2ccc(C)c3C)n1 74565405 PGKNCYUDFXTBNQ-ZDUSSCGKSA-N 317.345 1.761 0 40 DDAB Cc1nc(C)n(C[C@H]2CN(c3ncnc4c3CCC4)CCO2)n1 75128674 JLENNMDOHJFKIX-CYBMUJFWSA-N 314.393 1.079 0 40 DDAB O=S(=O)(NCCCn1cccn1)N1CCC[C@@H]1c1ccco1 78879898 ZOAKDMNTXCGTLX-CYBMUJFWSA-N 324.406 1.538 0 40 DDAB COc1ccc(NC(=O)N2CCC3(CC2)CC(=O)N(C)O3)cc1 1549168503 XDIBSXIKNLUIMI-UHFFFAOYSA-N 319.361 1.855 0 40 DDAB CCOC(=O)C(=CNC(=S)c1ccncc1)C(=O)OCC 13000816 RQQUVANRZVDJDT-UHFFFAOYSA-N 308.359 1.357 0 40 DDAB CC(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C)CC3)n2)C1 19017003 BNXIVFIILDIYEW-AWEZNQCLSA-N 318.421 1.305 0 40 DDAB CCN(CC)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 4479520 JYHBCDATQJNURB-GFCCVEGCSA-N 305.378 1.852 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22584861 FXCIFSPPXCAQMC-AWEZNQCLSA-N 305.378 1.024 0 40 DDAB CC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 4318795 FKBMVCRZSJYDDB-UHFFFAOYSA-N 314.341 1.869 0 40 DDAB C[C@@H](Oc1ccccc1F)C(=O)N1CC(Cn2ccnc2)C1 1889141271 JYNKMMGSYDHYSQ-GFCCVEGCSA-N 303.337 1.948 0 40 DDAB CSCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)O 4301946 OLZMFHFHYJXQLF-NSHDSACASA-N 300.355 1.831 0 40 DDAB Cc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1F 244998801 KTZMTGWXCRZKTB-UHFFFAOYSA-N 320.320 1.718 0 40 DDAB CN1C[C@]2(COCC1=O)CN(C(=O)CC1CCCCC1)CCO2 2037984435 BEZRZPQCMANCLI-QGZVFWFLSA-N 324.421 1.043 0 40 DDAB CCN=c1nc(N2CCN(CC3(O)CCCC3)CC2)cc(C)[nH]1 2087127697 SJLLBARWPVSDLT-UHFFFAOYSA-N 319.453 1.066 0 40 DDAB O=C(N[C@@H]1CCc2nc(N3CCCC3)ncc2C1)[C@H]1CCOC1 1565556546 NKXRRZKVPNZFCY-GXTWGEPZSA-N 316.405 1.087 0 40 DDAB COc1cc(C(=O)N2C[C@@H]3CCN(CC4CC4)C(=O)[C@H]3C2)on1 1565549974 LOWGCZLOULHFGS-RYUDHWBXSA-N 319.361 1.014 0 40 DDAB CCN1CCO[C@@H]2CN(C(=O)CC3(OC)CCC3)CC[C@H]2C1 1565553120 LBUWPGSZFRPZOM-LSDHHAIUSA-N 310.438 1.515 0 40 DDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1cccs1 10256248 NMOFRSJJKNYILM-ZDUSSCGKSA-N 301.371 1.874 0 40 DDAB CCC(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745820 DRGXHAMUPCIMAH-NSHDSACASA-N 305.378 1.731 0 40 DDAB CCCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055717969 PIUJKBWDSQIGJC-CYBMUJFWSA-N 320.437 1.842 0 40 DDAB Cc1ccccc1OCC(=O)NCCOCCn1cccn1 575619696 MGVJBYXCQRNKAN-UHFFFAOYSA-N 303.362 1.403 0 40 DDAB Cc1nn2c(=O)c(CCO)c(C(=O)O)[nH]c2c1-c1ccccc1 3883096 NAJIZYDRBZBIBY-UHFFFAOYSA-N 313.313 1.231 0 40 DDAB CC(C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N(C)C 30610600 AGYBKQAZUNTTTI-OAHLLOKOSA-N 316.405 1.099 0 40 DDAB COCCN1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 51281740 YMEPATGTOOBEET-HNNXBMFYSA-N 300.349 1.262 0 40 DDAB COc1ccccc1CNC(=O)Cn1nnc(-c2ccco2)n1 32769801 KZUBAWPXXRXAHR-UHFFFAOYSA-N 313.317 1.258 0 40 DDAB OC1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 32758536 XPPDKDNYTBMUDL-WMZOPIPTSA-N 305.418 1.898 0 40 DDAB COc1cc(-c2ncc(C(=O)O)c(=O)[nH]2)cc(OC)c1OC 22124101 LOIKMOBNBLDUIF-UHFFFAOYSA-N 306.274 1.161 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)N1CCCCC1 42675075 TYSBRDIOEKSKRE-UHFFFAOYSA-N 312.391 1.578 0 40 DDAB O=C(Nc1nncs1)N1CCN(Cc2ccsc2)CC1 43130064 FZCFVGJUKDDSOZ-UHFFFAOYSA-N 309.420 1.949 0 40 DDAB Cc1cnc(C(=O)OCC(=O)Nc2cccnc2Cl)cn1 3571138 PXLOYHPKBZOKLY-UHFFFAOYSA-N 306.709 1.629 0 40 DDAB O=C(N[C@]1(C(=O)O)CCSC1)c1cc(Br)c[nH]1 43508521 GMLNXZFDHIHULJ-SNVBAGLBSA-N 319.180 1.467 0 40 DDAB Cc1sc(C(N)=O)cc1S(=O)(=O)NCc1cccs1 6679969 KOKWYYAJFLWJOO-UHFFFAOYSA-N 316.429 1.695 0 40 DDAB CC(C)N1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 35216004 KBEVORJYGNBWMO-UHFFFAOYSA-N 303.815 1.450 0 40 DDAB Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@H]2C)c1C 26451930 MRIDXJIXWCSFFN-GFCCVEGCSA-N 305.378 1.672 0 40 DDAB COC(=O)C1CCN([C@@H](C)c2nc(=O)c3ccccc3[nH]2)CC1 57322999 MAGDMMXMXRQVGC-NSHDSACASA-N 315.373 1.869 0 40 DDAB CCc1ccc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1 10298492 XZCIRWPHXBFPAG-ZDUSSCGKSA-N 309.333 1.734 0 40 DDAB CCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cn1 44819308 RRPVHMWFXHCVTP-UHFFFAOYSA-N 312.373 1.838 0 40 DDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccon3)ccc21 57280282 KCOFWMCQPUDTJC-UHFFFAOYSA-N 321.358 1.729 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]nc1-c1ccc(F)cc1 10230770 BJAVTKKDBSYIFW-NSHDSACASA-N 323.349 1.133 0 40 DDAB O=C(Nc1nn2cnnc2s1)c1ccc2c(c1)OCCO2 10213425 GMVCLXJAIXSVTP-UHFFFAOYSA-N 303.303 1.209 0 40 DDAB CN(C)c1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cn1 58315016 SWZBIQVXYISIDE-UHFFFAOYSA-N 323.360 1.053 0 40 DDAB CCN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 28225374 VIZLSZRPLCHHDK-UHFFFAOYSA-N 322.796 1.956 0 40 DDAB CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2CCCCNC2=O)n1 75125659 SZXDTDKAZNBLHE-MRVPVSSYSA-N 317.315 1.642 0 40 DDAB COc1ncccc1NS(=O)(=O)c1cccc(C(=O)O)c1 36324974 AILFZJJTRBNUEI-UHFFFAOYSA-N 308.315 1.589 0 40 DDAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 107260385 NWFFNLHEICFOQP-HOTGVXAUSA-N 322.430 1.211 0 40 DDAB CC(C)NC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 36601485 KJMLWRMEISJOIL-CQSZACIVSA-N 317.389 1.659 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 45749328 WCHUGAFDUQEUKF-IAQYHMDHSA-N 320.364 1.863 0 40 DDAB NC(=O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 2636098 KPKWOIVKUCSMMV-UHFFFAOYSA-N 311.190 1.537 0 40 DDAB O=C(NN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1 2793144 DDQCMZRQSACKDM-UHFFFAOYSA-N 320.324 1.036 0 40 DDAB Cn1c(CN2CCCC[C@@H]2c2nc[nH]n2)nc2ccccc2c1=O 96002307 USYMRLGWPPWACU-CQSZACIVSA-N 324.388 1.779 0 40 DDAB O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCC1 3318045 GMDKHDIEASTRLM-UHFFFAOYSA-N 324.764 1.235 0 40 DDAB NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 3301751 JZHSUYJMGVWOMJ-UHFFFAOYSA-N 312.325 1.112 0 40 DDAB COc1cccc(C(=O)NCCCNC(=O)c2cnccn2)c1 13568302 VGOSLTPWOHITKJ-UHFFFAOYSA-N 314.345 1.035 0 40 DDAB Cc1cccnc1NC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 27976144 WBTKAPLKNKGVLS-LBPRGKRZSA-N 324.344 1.772 0 40 DDAB CCOc1ncccc1CNC(=O)N1CCC(C(=O)NC)CC1 89988818 WMGRLZRSXIRISQ-UHFFFAOYSA-N 320.393 1.148 0 40 DDAB COCCOCCCNC(=O)c1cc(=O)c2cc(C)ccc2o1 9314476 BIUKPIQCKHMKMA-UHFFFAOYSA-N 319.357 1.884 0 40 DDAB COc1ccc(CC(=O)N2CCOC23CCN(C)CC3)cc1 13735340 JXJRRMDRDXMKKP-UHFFFAOYSA-N 304.390 1.518 0 40 DDAB COc1cc(CNC(=O)NCC(C)C)ccc1OCC(N)=O 65516414 DLGIINPIKUQMRD-UHFFFAOYSA-N 309.366 1.015 0 40 DDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H](n2cccn2)C1)C1CCCC1 65609715 KGQLAXLDRUCVNM-JKSUJKDBSA-N 318.421 1.742 0 40 DDAB COc1ccc(NC(=O)NCCC(=O)O[C@@H]2CCOC2=O)cc1 14172534 WOAYQSZTKXIWTG-GFCCVEGCSA-N 322.317 1.066 0 40 DDAB O=C(Nc1nncs1)c1ccc(S(=O)(=O)C(F)F)cc1 14228430 JUAQTBZNGPXZME-UHFFFAOYSA-N 319.314 1.787 0 40 DDAB CNC(=O)CN(C)C(=O)c1ccc(OC)c(Br)c1 14201490 ZPMINNZKDDJHNL-UHFFFAOYSA-N 315.167 1.276 0 40 DDAB COc1cc(CN2C[C@H]3OC[C@H](CN(C)C)[C@H]3C2)cc(OC)c1 306130521 JIUCXKKBTVWHJH-BMGDILEWSA-N 320.433 1.712 0 40 DDAB CN(C(=O)CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 5426599 VUVCYVFDMYHKKZ-LBPRGKRZSA-N 321.402 1.072 0 40 DDAB CC[C@H](C)N(C)CCNC(=O)c1ccc(Cn2cncn2)cc1 66126730 FCPANOLDPPTAJO-AWEZNQCLSA-N 315.421 1.787 0 40 DDAB O=C(NCCN1CCOCC1)C1(c2ccccc2)CCCC1 19857466 GBTLWBISICGQLQ-UHFFFAOYSA-N 302.418 1.947 0 40 DDAB CCOc1cccc(CNCCCSc2nnnn2C)c1 4993817 MSIRUGMDAKVWJN-UHFFFAOYSA-N 307.423 1.881 0 40 DDAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc2c(c1)OCO2 7535579 AZRZXNLWJYDKDI-ZCFIWIBFSA-N 324.387 1.968 0 40 DDAB COc1ccc(-c2nnc(SC[C@@H]3CNC(=O)O3)n2C)cc1 7654756 GFQWUKFLUGTHMO-NSHDSACASA-N 320.374 1.691 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)COc1cc(C)cc(C)c1 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Cc1ccc(CCC(=O)NCC(=O)NC[C@H](C)N(C)C)cc1 69537376 HQZBDXCVLGDUJT-AWEZNQCLSA-N 305.422 1.110 0 40 DDAB NC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccccc1Cl 69568139 JSSFGSGTCQENJT-LBPRGKRZSA-N 309.797 1.932 0 40 DDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1cccc(Cl)c1 69810651 VLKKLLOTICRZSS-LBPRGKRZSA-N 317.794 1.969 0 40 DDAB COc1cc([C@H](C)NCc2c[nH]nc2C)ccc1OCCO 69817496 WLUNYUWURLNPBN-NSHDSACASA-N 305.378 1.949 0 40 DDAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)NC[C@@H]1CCCO1 8756542 GDDYWSQMKMCSRK-KOLCDFICSA-N 310.423 1.468 0 40 DDAB CCc1nn(C)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 92501192 FJGZQKDZGLEDKY-UHFFFAOYSA-N 312.373 1.863 0 40 DDAB NC(=O)[C@H]1CN(Cc2ccc(SC(F)(F)F)cc2)CCO1 92735546 XONJUCBEXPFNPW-LLVKDONJSA-N 320.336 1.985 0 40 DDAB O=c1onc(-c2cnccn2)n1Cc1nc2ccc(F)cc2o1 97014261 QUNASTRMJDLTQD-UHFFFAOYSA-N 313.248 1.622 0 40 DDAB O=C(Nc1ccncc1F)N1CCC[C@H]1CN1CCOCC1 97135871 PXYKSCIAEIPLQH-LBPRGKRZSA-N 308.357 1.549 0 40 DDAB CN(CCOc1cccc(Cl)c1)c1nc2[nH]ncc2c(=O)[nH]1 97163743 LJAFNPMIEBQSJL-UHFFFAOYSA-N 319.752 1.815 0 40 DDAB C[C@@H]1CN(CCCCNc2cn[nH]c(=O)c2Cl)C[C@@H](C)O1 95970987 QNOIQUUNDWQVQA-GHMZBOCLSA-N 314.817 1.725 0 40 DDAB O=C(Cc1ccccc1O)N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1 95397920 YWDJMTGOGKKEJO-HIFRSBDPSA-N 316.401 1.888 0 40 DDAB CC(C)[C@H](O)C(C)(C)CNC(=O)NC[C@H]1CCN(C2CC2)C1 95436859 JKAJYMXVSXEPAW-HIFRSBDPSA-N 311.470 1.813 0 40 DDAB O=C1[C@@H](NC(=O)C2(O)CCCC2)CCCN1Cc1ccccc1 95446935 ZPOUTWZUHKAUBA-HNNXBMFYSA-N 316.401 1.599 0 40 DDAB CC[C@@H](C[C@@H](C)CO)NC(=O)c1cn(Cc2ccccc2)nn1 95443436 OBMNWKWDZKRSIK-HIFRSBDPSA-N 316.405 1.853 0 40 DDAB CCOc1cccnc1C(=O)NCCCCN1CCC[C@@H]1CO 95428335 SFPNBWMNLOJYKW-CQSZACIVSA-N 321.421 1.447 0 40 DDAB CNC(=O)CNC(=O)Nc1nc(Cc2ccccc2)c(C)s1 95403999 HVVGWNINFHEZAW-UHFFFAOYSA-N 318.402 1.910 0 40 DDAB COC(=O)c1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 95446499 LUJNPVRIMJUCPD-JQWIXIFHSA-N 319.361 1.591 0 40 DDAB CCO[C@@H]1C[C@@H](N(C)CC(=O)NCc2cccnc2)C1(C)C 84800697 OQOHIHOGMSFCCE-HUUCEWRRSA-N 305.422 1.833 0 40 DDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCc2ccccc2CC1 110625378 VDTWHWBIXVUYHN-UONOGXRCSA-N 324.446 1.441 0 40 DDAB CCOCCCNC(=O)Cn1nc(C)c(Br)c1C 28230417 ZCMGHQAHVNNDNV-UHFFFAOYSA-N 318.215 1.805 0 40 DDAB Cc1cc(=NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc(C)[nH]1 1553077032 ANYMQWZINLUHOD-HNNXBMFYSA-N 319.405 1.970 0 40 DDAB CNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30857829 NTMTXKYYRSVUML-HNNXBMFYSA-N 324.446 1.407 0 40 DDAB CCC(C)(C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 32771097 VVYNQSYLBANUAC-CYBMUJFWSA-N 302.378 1.411 0 40 DDAB Cc1cccc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c1F 527560070 JMZIRVZEVWECNS-MDZLAQPJSA-N 318.352 1.537 0 40 DDAB Cc1ccc(C)c(NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)c1 120977162 MHIWREMTLOVGEX-OAHLLOKOSA-N 302.374 1.879 0 40 DDAB CCCn1nnc(NCc2cc(OC)c(OC)c(OC)c2)n1 32617019 JFYMEFSUJPFFHP-UHFFFAOYSA-N 307.354 1.721 0 40 DDAB COCC(=O)N1CCC[C@H](c2cccc(-n3ccnc3C)n2)C1 72378910 YPPUVGJCMDEOQH-AWEZNQCLSA-N 314.389 1.928 0 40 DDAB COCCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2C 35474867 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Cc1onc2c(=O)n(C)nc(C(=O)N3CCC[C@H](C)CC3)c12 96403489 ACCVUYAKBCUPEN-VIFPVBQESA-N 304.350 1.492 0 40 DDAB CN1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H](CN)C1 97228978 DYUHCBCCPCDLSB-GFCCVEGCSA-N 315.339 1.349 0 40 DDAB CC(C)CO[C@H]1CN(C(=O)c2ccncc2F)[C@@H]2COC[C@@H]21 96184981 VFFPPUDNLIXNHI-CFVMTHIKSA-N 308.353 1.733 0 40 DDAB O=C1C[C@]2(CCN(CC3CCOCC3)C2)CN1c1ccccn1 96050813 MZYUGCNVJHTHOL-SFHVURJKSA-N 315.417 1.937 0 40 DDAB CCOC[C@@H]1CN(C(=O)c2cc(C)no2)Cc2cncn2C1 96206585 XRDWWLJHHWPBSU-GFCCVEGCSA-N 304.350 1.488 0 40 DDAB CCc1ccc(CN2CCN(C(=O)[C@@H]3COCCO3)CC2)s1 96414534 WPNOUWYXMQLZRA-HNNXBMFYSA-N 324.446 1.370 0 40 DDAB O=S(=O)(CC[C@@H]1CCCO1)N(Cc1cccnc1)C1CC1 96472380 OZCKZWWRLOEALM-HNNXBMFYSA-N 310.419 1.945 0 40 DDAB COC(=O)CCCS(=O)(=O)NC1(C)Cc2ccccc2C1 92268797 XKXUFZIGWLJRMV-UHFFFAOYSA-N 311.403 1.417 0 40 DDAB CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96263483 QBKFDDSLQIGHEF-UHFFFAOYSA-N 310.419 1.412 0 40 DDAB O=C(c1ccc[nH]1)N1CCc2ncc(CN3CCCC3)n2CC1 96196865 NSOGJKRHLCZCGA-UHFFFAOYSA-N 313.405 1.506 0 40 DDAB Cc1cc(C(=O)NC[C@H](Cc2ccccc2C)C(=O)O)n(C)n1 97228534 FTBOPZCKNPTCRY-AWEZNQCLSA-N 315.373 1.710 0 40 DDAB CN1C(=O)C2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96052500 RVFXKZIYZMCPIS-UHFFFAOYSA-N 322.368 1.627 0 40 DDAB CNC(=O)c1cc(NC(=O)NCc2ncoc2C)ccc1F 96491409 YLWAQQQQOJEMAB-UHFFFAOYSA-N 306.297 1.803 0 40 DDAB Cc1ccc(N2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)nn1 96239189 LMEYEEZPZFUAQS-INIZCTEOSA-N 310.361 1.208 0 40 DDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)/C=C/c1ccccc1 244983748 IPKQDZLLSILVSA-HNNXBMFYSA-N 320.418 1.893 0 40 DDAB COC(=O)[C@H]1CCn2c(COc3cccc(C)c3)nnc2C1 601043469 AYEWLAWFNAQLSV-LBPRGKRZSA-N 301.346 1.901 0 40 DDAB OC1(CN2CCCC[C@H]2c2ccn3nccc3n2)CCOCC1 257314227 UVXZRMXHBONJTF-HNNXBMFYSA-N 316.405 1.798 0 40 DDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 257300489 RUNAQJRYOJCAGH-HNNXBMFYSA-N 320.437 1.222 0 40 DDAB Cc1ccnc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257245768 IQZKXBFXJXGCHW-ZDUSSCGKSA-N 303.387 1.989 0 40 DDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1c(F)cccc1F 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NC[C@@H](C(=O)NCc1cnc2n1CCOC2)C1CCCCCC1 1580215192 DMJDEDPGSFQNDJ-OAHLLOKOSA-N 320.437 1.575 0 40 DDAB CC[C@H](NC(=O)NCCS(C)(=O)=O)c1cc(F)ccc1F 76019938 SFIAPOXVESCIFZ-LBPRGKRZSA-N 320.361 1.760 0 40 DDAB Cc1cc(NC(=O)COC(=O)c2[nH]nc3ccccc23)no1 5075033 RDFQLMLGLQFELN-UHFFFAOYSA-N 300.274 1.655 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(C)C 17300364 SKJXKACPOFCEQQ-UHFFFAOYSA-N 310.419 1.918 0 40 DDAB CC(C)NC(=O)[C@@H]1CN(C)C[C@]12COc1ccc(F)cc1C2=O 19450012 WDCSASGTTRPIMP-GUYCJALGSA-N 320.364 1.473 0 40 DDAB O=C(C[C@@H](NC[C@H]1CCCO1)C(=O)O)Nc1ccccc1F 10186447 LEQYWKVUNFPLOQ-ZWNOBZJWSA-N 310.325 1.376 0 40 DDAB Cc1nnsc1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 245093464 ROLRXHVBNOLDQZ-XYPYZODXSA-N 319.390 1.757 0 40 DDAB COC(=O)[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CSC1(C)C 393813680 FCQHFAXMWLXBQT-VHSXEESVSA-N 318.439 1.536 0 40 DDAB CN(C)S(=O)(=O)c1cccc(C(=O)NN2CCCCC2)c1 6786184 VSJAHQZRWIZTPF-UHFFFAOYSA-N 311.407 1.068 0 40 DDAB COCCc1nsc(N2CC(Cn3cc(Cl)cn3)C2)n1 1889091735 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CC1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1 31485646 CJJQIPXGNSCBMM-UHFFFAOYSA-N 312.391 1.592 0 40 DDAB CCN1CCC[C@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 40516114 XOHBSEUDLQTRTM-LBPRGKRZSA-N 308.426 1.900 0 40 DDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)C1 20547554 HRJYPSKXXMFSFV-UHFFFAOYSA-N 300.362 1.178 0 40 DDAB O=C(O)C1=C[C@@H](c2ccc3c(c2)OCCO3)n2ncnc2N1 101579760 HXNPXFJUJXRDPC-JTQLQIEISA-N 300.274 1.033 0 40 DDAB Cc1occc1C(=O)Nn1c(S)nc2ccccc2c1=O 102001903 WRVRBHBOSMSKSL-UHFFFAOYSA-N 301.327 1.971 0 40 DDAB O=C(COc1ccc(Br)cc1Cl)NCCCO 32721880 NTPBGWHPOCVHMY-UHFFFAOYSA-N 322.586 1.980 0 40 DDAB Cc1cc(NC[C@H]2CCOC2)n2nc(C(F)(F)F)nc2n1 42106733 CVOQMYHZYYUZFD-MRVPVSSYSA-N 301.272 1.900 0 40 DDAB CCCc1cc(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)[nH]n1 22978442 NYURBOMFDKOQBF-ZDUSSCGKSA-N 305.309 1.885 0 40 DDAB CC(=O)N1CCC(Nc2nnnn2-c2ccc(C)cc2)CC1 54044012 NZFXYRDCIUOXDD-UHFFFAOYSA-N 300.366 1.394 0 40 DDAB NC(=O)NC(=O)CCN(Cc1cccs1)C[C@@H]1CCCO1 23078114 PVVSQOMUYBPRCI-NSHDSACASA-N 311.407 1.314 0 40 DDAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 167791 GOACRCLOBLTSKA-UHFFFAOYSA-N 311.315 1.465 0 40 DDAB CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 796622 XUJFAORBKMPYEP-CQSZACIVSA-N 324.446 1.860 0 40 DDAB O=C(Nc1ccccc1)c1ccc(N(CCO)CC2CC2)nn1 78988798 IRBAUYOYZDEKNH-UHFFFAOYSA-N 312.373 1.938 0 40 DDAB CN(C)C(=O)CSc1nnc(-c2ccc(N(C)C)cc2)n1C 1332811 OZLCTCLGFUOBNW-UHFFFAOYSA-N 319.434 1.728 0 40 DDAB Cc1ccc(S(=O)(=O)Nn2nnc(-c3ccccc3)n2)cc1 1564378 KDRWROWCDDBNEC-UHFFFAOYSA-N 315.358 1.581 0 40 DDAB Cc1ccc(C)c(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)c1 4318896 MZARILAIICLZPT-ZFWWWQNUSA-N 320.389 1.854 0 40 DDAB NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Cl 4755462 MUHAIPFLMQHAHP-XXHBBNRNSA-N 316.744 1.750 0 40 DDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1Cl 44456490 JVMDSVFNTFUCLW-QMMMGPOBSA-N 305.758 1.644 0 40 DDAB O=C(c1ccncc1F)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450439 ACVQSXPUCUILJL-NHYWBVRUSA-N 317.364 1.836 0 40 DDAB COCCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10365129 QMVNVRBNBWCXHY-UHFFFAOYSA-N 300.380 1.133 0 40 DDAB CCNC(=O)CN(CC)C(=O)/C=C/c1cnc2ccccc2n1 57963204 AIVPEVIPVKPNPM-MDZDMXLPSA-N 312.373 1.628 0 40 DDAB Cc1cc(C(=O)Cn2cnn(C)c2=O)c(C)n1Cc1ccccc1 95454291 ZCFOQUVTWLILAG-UHFFFAOYSA-N 324.384 1.931 0 40 DDAB O=C1CCC(=O)N1CCC(=O)N1CCC[C@@H]1c1cccs1 58202988 CUTXXHLOZNFHPX-LLVKDONJSA-N 306.387 1.951 0 40 DDAB COc1ccc(CCNC(=O)[C@H]2CSCN2C(C)=O)cc1 58216465 LAIBIYVSMMRDAH-CQSZACIVSA-N 308.403 1.275 0 40 DDAB CCOc1cccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1 58294482 SRHLNOCLVNOIJV-MRXNPFEDSA-N 312.369 1.912 0 40 DDAB O=C(NCc1cnn(-c2ccccc2)c1)N1CCC(O)CC1 44967534 UWZMJWJDDFQSEK-UHFFFAOYSA-N 300.362 1.539 0 40 DDAB O=C(NC[C@H](O)COc1cccc(F)c1)Nc1nccs1 44969928 IIBRVMDDEGLAJF-JTQLQIEISA-N 311.338 1.844 0 40 DDAB Cn1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc2ccccc21 58333250 QRPNUWTXIFGSDM-CABCVRRESA-N 313.401 1.771 0 40 DDAB Cc1cc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)no1 58393269 MUWSWLHAKXWEDN-GUTXKFCHSA-N 309.410 1.733 0 40 DDAB CC(C)Cn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1 9140168 JICAJNGCDKVZGL-UHFFFAOYSA-N 318.406 1.385 0 40 DDAB COc1cccc(CNC(=O)C(=O)NCc2ccc(F)cc2)c1 9912063 RRDUDLMOLLLWMA-UHFFFAOYSA-N 316.332 1.767 0 40 DDAB CCC[C@](C)(NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)O 36340068 NRZCATHOCUNSOG-AWEZNQCLSA-N 313.375 1.543 0 40 DDAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2ccc[nH]2)c1=O 10911334 LTWBUSCSFQMMSA-UHFFFAOYSA-N 313.235 1.177 0 40 DDAB O=C(O)CCN1C(=O)S[C@@H](Nc2cccc(C(=O)O)c2)C1=O 2354784 YBCJKAKCJPPZAG-SNVBAGLBSA-N 324.314 1.293 0 40 DDAB CC[C@H](C)NC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1 57355802 XNBXWAJCTIGTIX-LBPRGKRZSA-N 322.409 1.340 0 40 DDAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCS(=O)(=O)C1 36724213 GUKJRKLMPDFIGN-CYBMUJFWSA-N 306.387 1.253 0 40 DDAB Cn1cnc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)c1 108525845 ZRIWZXIIZLZVLY-UHFFFAOYSA-N 312.377 1.317 0 40 DDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 2633041 IUKNUIPYYGWRKE-VIFPVBQESA-N 319.766 1.496 0 40 DDAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCCCC2)c1 2634775 QRLOQXYLLALZPB-UHFFFAOYSA-N 306.362 1.446 0 40 DDAB CCn1ccc(C(=O)Nn2c(S)nc3ccccc3c2=O)n1 2793135 IDECRQSSSNPDEH-UHFFFAOYSA-N 315.358 1.286 0 40 DDAB CC(C)[C@H](O)CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 89791259 WRJVODUJQPLDBS-UONOGXRCSA-N 324.808 1.969 0 40 DDAB CCn1cnnc1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 47021758 NUYNELDREWFKTF-GFCCVEGCSA-N 318.377 1.528 0 40 DDAB Cc1[nH]ncc1S(=O)(=O)N(C)Cc1ccc(F)c(F)c1 37840123 GQINVHYHNPVSHD-UHFFFAOYSA-N 301.318 1.817 0 40 DDAB C/C=C/Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12362782 UXAJKRFJGNFMJL-AATRIKPKSA-N 308.407 1.748 0 40 DDAB biogenic O=C1CN(C(=O)CCc2ccccc2Br)CCN1 48315600 SEFYAGPKUWEHCX-UHFFFAOYSA-N 311.179 1.340 0 40 DDAB Cc1ncc2c(n1)CCN(C(=O)NC[C@H]1Cc3ccccc3O1)C2 48325303 RHIYEAFJWWEHQN-OAHLLOKOSA-N 324.384 1.856 0 40 DDAB COCCNC(=O)CN[C@@H](C)c1ccccc1Br 12891836 TUQHMSRQKGDQMK-JTQLQIEISA-N 315.211 1.862 0 40 DDAB Cc1cc(NC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)no1 12872117 YMCPKJZDOUUPLK-TXEJJXNPSA-N 310.398 1.992 0 40 DDAB CC[C@H]1c2ccsc2CCN1C(=O)CCNS(C)(=O)=O 48734176 BDFMFBGOIHJBNZ-NSHDSACASA-N 316.448 1.523 0 40 DDAB Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)no1 9313740 YLPKSZAWLKJXHG-UHFFFAOYSA-N 321.358 1.676 0 40 DDAB COCCN(C)CCNC(=O)c1cccc(C2OCCO2)c1 89346264 WEGFVIIMLNFCTE-UHFFFAOYSA-N 308.378 1.040 0 40 DDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCn1cc(C)cn1 88198215 BEAUSGJGOALWLS-LBPRGKRZSA-N 302.382 1.387 0 40 DDAB C/C=C/c1ccc(OCC(=O)OCC(=O)NC2CC2)c(OC)c1 5207925 IKEXMNPDKYFMQK-ONEGZZNKSA-N 319.357 1.929 0 40 DDAB Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)c(=O)[nH]1 65553470 XVNUYUUXYGKUMW-UHFFFAOYSA-N 316.748 1.914 0 40 DDAB COc1ccccc1C1(CNC(=O)NCCn2ccnc2)CC1 65589091 CVYDQETUYAVYKE-UHFFFAOYSA-N 314.389 1.923 0 40 DDAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)NC(N)=O 5362045 QMHUTGIDJTVKPV-MRVPVSSYSA-N 310.375 1.757 0 40 DDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1Cl 14207873 YJGKGKPRSXWHIY-UHFFFAOYSA-N 321.764 1.905 0 40 DDAB CCc1cccc(C)c1NCC(=O)N1CCC[C@@H](C(N)=O)C1 96453959 BQQUGLKVANSZHM-CQSZACIVSA-N 303.406 1.693 0 40 DDAB COC(=O)c1cccc(C(=O)NCc2nncn2C2CC2)c1 75134006 SAKAKMPNELIEHB-UHFFFAOYSA-N 300.318 1.330 0 40 DDAB CC[C@@H](CO)NC[C@H](O)COc1cccc(Br)c1 5950375 ABLMDJKBDHGMKE-RYUDHWBXSA-N 318.211 1.549 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCc2cccnc2)C1=O 5978655 TVERCAHQNOBXNL-ACCUITESSA-N 316.361 1.324 0 40 DDAB Cc1nc(CN2CCC[C@H](NCc3csc(C)n3)C2)no1 71877262 ATYKWMNQRWCGPU-LBPRGKRZSA-N 307.423 1.897 0 40 DDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)C1 71870629 FBTDEFSEHUHKMW-BMFZPTHFSA-N 321.421 1.939 0 40 DDAB Cc1ccc2c(c1)CCCN2CCS(=O)(=O)CCC(N)=O 7494308 QUULDINMGZPBKG-UHFFFAOYSA-N 310.419 1.038 0 40 DDAB NC(=O)C1CCN(CC(=O)NCc2ccccc2Cl)CC1 7435668 HALNRKSERZKTBA-UHFFFAOYSA-N 309.797 1.154 0 40 DDAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)OCC(=O)NC(N)=O 71922213 VYGRYTFUMAFRRU-LLVKDONJSA-N 321.377 1.803 0 40 DDAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@@H]1C 16049898 PIXNOUSBWULYTD-ZCFIWIBFSA-N 314.392 1.149 0 40 DDAB C[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)[C@H](C)CO1 69039477 GMFZOULIUZEFEX-OLZOCXBDSA-N 321.402 1.670 0 40 DDAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1cccc(C(=O)O)c1 16899436 BLGMWDUULFZBFM-JTQLQIEISA-N 319.342 1.027 0 40 DDAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 8290971 IHHDCVLUJJIKNF-ZDUSSCGKSA-N 317.389 1.013 0 40 DDAB COC[C@@H](C)N1C[C@H](C(=O)NCc2ccc(C)cc2)CC1=O 8234978 WEDBCARHJIRLMF-UKRRQHHQSA-N 304.390 1.495 0 40 DDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3sccc3c2=O)C1 8313099 IBCSJMUCOWJQBX-QWRGUYRKSA-N 305.403 1.963 0 40 DDAB CCC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 69420168 LWHPFKLJFQEHOI-AWEZNQCLSA-N 324.446 1.922 0 40 DDAB Cc1ccc2nc(CN3CCC[C@@H]3Cn3cncn3)cc(=O)n2c1 69489786 YGSNKYCZZUVJAO-OAHLLOKOSA-N 324.388 1.259 0 40 DDAB CCc1nnc2n1CCN(CCS(=O)(=O)c1ccccc1)C2 69487671 UBNZGDBLTSLRNO-UHFFFAOYSA-N 320.418 1.130 0 40 DDAB CCN1CCCN(C(=O)c2cccnc2OCCOC)CC1 69538285 VSQGCZCEZDNCCZ-UHFFFAOYSA-N 307.394 1.275 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69661548 NWQQRLVQUFBPMT-ZDUSSCGKSA-N 310.361 1.492 0 40 DDAB COC(=O)c1ccc(S(=O)(=O)Nc2c(C)c(C)nn2C)cc1 69664739 WPDHDXMWTOYODB-UHFFFAOYSA-N 323.374 1.624 0 40 DDAB Cc1noc(CCNC(=O)N[C@@H](C)COc2ccccc2F)n1 69769766 ZQVYOOPBQBQCFD-JTQLQIEISA-N 322.340 1.826 0 40 DDAB O=C1CC[C@H](C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)N1 69811310 AYWAEEQPZPTNAL-SNVBAGLBSA-N 320.349 1.485 0 40 DDAB C[C@H](Oc1ccccc1Br)C(=O)Nc1nnn[nH]1 72281226 KGLJJSJHYYBONU-LURJTMIESA-N 312.127 1.368 0 40 DDAB Cc1nc2n(n1)C[C@@H](NC[C@@H](O)COCc1cccs1)CC2 72254065 YOUAROJQFWSWLE-QWHCGFSZSA-N 322.434 1.130 0 40 DDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1 72293252 HVRACOHAXLAVDX-ZDUSSCGKSA-N 315.329 1.739 0 40 DDAB Cn1nc2c(cc1=O)CN(C(=O)Cc1cccc(F)c1F)CC2 87428510 NANVGOSDKBGXIR-UHFFFAOYSA-N 319.311 1.186 0 40 DDAB CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)CS(=O)(=O)N(C)C 97107331 XQERQZXREHFZCG-OLZOCXBDSA-N 304.456 1.551 0 40 DDAB CC(C)[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)C(N)=O 72302869 HLGPIXAKFSRLGY-GFCCVEGCSA-N 319.188 1.998 0 40 DDAB CCc1nc([C@@H](C)NCC(=O)N2C[C@H](C)O[C@H](C)C2)cs1 97374451 CPYIZSGMLOLFAD-GRYCIOLGSA-N 311.451 1.992 0 40 DDAB O=S1(=O)CCC[C@@H]1CNCc1cc2ccccc2nc1O 89873044 GKRDWHINIFJTNY-CYBMUJFWSA-N 306.387 1.607 0 40 DDAB CCN(CC)[C@@H](C)CNC(=O)NCc1nnc2n1CCCCC2 89967756 XFOQPACUWWXBHC-ZDUSSCGKSA-N 322.457 1.534 0 40 DDAB C[C@@H]1CN(CCC(=O)N2CCOCC2)[C@H](c2ccccc2)CO1 76089751 XZQWAYXZGQUZIC-WBVHZDCISA-N 318.417 1.697 0 40 DDAB Cc1noc(C)c1CN1CCN(C[C@H](O)COC(C)C)CC1 61721923 CBQPBWDMZYDOEC-HNNXBMFYSA-N 311.426 1.195 0 40 DDAB N[C@H]1CN(C(=O)NCc2cccc3c2OCCO3)CC12CCC2 1553541451 VFEJBNOPAXRCFQ-AWEZNQCLSA-N 317.389 1.481 0 40 DDAB COc1ccc([C@@H](CC(=O)O)c2n(O)c(C)c(C)[n+]2C)cc1 524733628 ZCQVJGPTNSHGOC-CQSZACIVSA-O 305.354 1.782 0 40 DDAB CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c2ccco2)C1(C)C 73270209 JXFGYAZDZWPCNP-RSAASHCRSA-N 308.378 1.718 0 40 DDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)no1 72238027 UXWZBBMJSNFCMK-CABCVRRESA-N 315.329 1.520 0 40 DDAB O=C1CCSC[C@@H](C(=O)N2CCn3c2nc2ccccc23)N1 75171041 AYDOFDROEBFSGX-NSHDSACASA-N 316.386 1.005 0 40 DDAB CNC(=O)[C@H](CCC(C)C)N=c1nc(Cl)nc(Cl)[nH]1 2362797556 FGKPRNRPMUEMOA-ZETCQYMHSA-N 306.197 1.563 0 40 DDAB CN1CCN(c2cc(I)ccn2)CC1 2362801509 JVNHTQPSKZWWNT-UHFFFAOYSA-N 303.147 1.438 0 40 DDAB C/C(=C\c1ccccc1)C(=O)N[C@H]1CCc2nn(C)c(=O)cc2C1 225789092 VNJMUFIYUUONNY-ISBHARSQSA-N 323.396 1.857 0 40 DDAB CCC[C@H](C)NC(=O)c1sc(NS(C)(=O)=O)nc1C 225878805 SESLUUFUIXKDHI-ZETCQYMHSA-N 305.425 1.741 0 40 DDAB C[C@@H](C(=O)N(C)C1CCN(c2cnccn2)CC1)n1cccn1 329898774 MMOUCOHDBOXFFZ-ZDUSSCGKSA-N 314.393 1.362 0 40 DDAB COC(=O)c1ccccc1-n1cnc2cc(C(=O)O)ccc2c1=O 41127993 JLHXUFDHVWWNPK-UHFFFAOYSA-N 324.292 1.871 0 40 DDAB COc1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)nn1C 227169446 BFQDYYKJYFBSCX-UHFFFAOYSA-N 314.345 1.956 0 40 DDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnco1 224062437 CCJZFWDPVAPPIZ-UHFFFAOYSA-N 306.274 1.731 0 40 DDAB Cn1[nH]c([C@@H]2CCCN2C(=O)c2cnc3cnccc3c2)nc1=N 572966987 MSYORBGGLBGMGW-ZDUSSCGKSA-N 323.360 1.148 0 40 DDAB CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C 225867893 HAASSACVUSGSIT-UHFFFAOYSA-N 309.391 1.629 0 40 DDAB CC(=O)N(CCOc1ccc2c(C)cc(=O)oc2c1)C(C)=O 226795715 INJZDOSGXOTECP-UHFFFAOYSA-N 303.314 1.875 0 40 DDAB COc1ccc(OCc2cn(CC(=O)NCC(C)C)nn2)cc1 227167818 HVGWSZUAUCULME-UHFFFAOYSA-N 318.377 1.638 0 40 DDAB COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3cccnc3)CC[C@H]12 96065551 FIQQSIOAPYZRNJ-BZUAXINKSA-N 303.406 1.302 0 40 DDAB CC(=O)N[C@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 333883011 UZYDKLPSTHGEED-HNNXBMFYSA-N 304.390 1.948 0 40 DDAB O=C(Nc1c[nH]ccc1=O)[C@H]1CCCCN1Cc1cccnc1 96410108 HZWXKWBQTVFXKO-OAHLLOKOSA-N 312.373 1.763 0 40 DDAB NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1F 96452984 RQZKDSPHKGTHKE-DGCLKSJQSA-N 308.353 1.755 0 40 DDAB O=C1NCCO[C@H]2CN(Cc3ccc4ccccc4n3)CC[C@@H]12 96205874 NWKRCRSBPOUWHL-WBVHZDCISA-N 311.385 1.572 0 40 DDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4occc4C)C[C@H]3O2)n1 96218705 KZBOBCBROOZAAW-YNEHKIRRSA-N 317.345 1.752 0 40 DDAB CN(C)CCN1CCO[C@H]2CCN(Cc3cccs3)CC[C@@H]21 96249257 YGYJZNXSFYERDM-IRXDYDNUSA-N 323.506 1.975 0 40 DDAB CS(=O)(=O)[C@H](CO)C(=O)c1ccc(-c2ccccc2)cc1 96518747 LOAUFVAEOWIHAF-OAHLLOKOSA-N 304.367 1.942 0 40 DDAB CC[C@@H](C)C(=O)NCC(=O)Nc1ccccc1-n1ccnn1 97233160 ZMILSJMITRZVLO-LLVKDONJSA-N 301.350 1.368 0 40 DDAB O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1ccco1)CC2 96197413 BRTQMCOIWLDINJ-UHFFFAOYSA-N 314.389 1.908 0 40 DDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)N(C)C)C2)cc1 96206188 ARMULPJJYYMADQ-AEFFLSMTSA-N 302.418 1.922 0 40 DDAB CC(C)CS(=O)(=O)N1CCC(N[C@@H]2CCCSC2)CC1 97370946 JFOPQIHWLTUIEP-CQSZACIVSA-N 320.524 1.922 0 40 DDAB CCc1cnc(N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)nc1 253606234 ARUNZGHRZTYFJZ-RBSFLKMASA-N 316.405 1.255 0 40 DDAB COc1ccccc1[C@H]1CNCCN1C(=O)c1nccn1C 257331036 XRDJQYXINGGUMI-CYBMUJFWSA-N 300.362 1.215 0 40 DDAB COCCN1CCC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 257285302 PGNNEJFWZQYWMF-CYBMUJFWSA-N 301.394 1.768 0 40 DDAB Cc1cc(C(N)=O)nc([C@]2(C)CCCN2Cc2ncc[nH]2)n1 257251431 JQSQRPLKXFAALX-HNNXBMFYSA-N 300.366 1.118 0 40 DDAB O=C1CO[C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@@H]2N1 257254836 KEWPZDVOXSCFDU-HOTGVXAUSA-N 324.384 1.233 0 40 DDAB O=C(CCN1CCN(CCOc2ccccc2)CC1)NC1CC1 26904798 UTHZWSMFAKERLO-UHFFFAOYSA-N 317.433 1.352 0 40 DDAB C[C@H]1Oc2cc(S(=O)(=O)Nc3ccccn3)ccc2NC1=O 252495989 PECGMRINWDXJBU-SECBINFHSA-N 319.342 1.602 0 40 DDAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 604382728 ZYGJKUDSWYNBQG-KLHDSHLOSA-N 321.465 1.673 0 40 DDAB biogenic,in-vitro Cc1nc(CC(=O)N2CCO[C@H](c3cccc(N)n3)C2)cs1 257261586 LHZFOXJNYYBANJ-ZDUSSCGKSA-N 318.402 1.571 0 40 DDAB Cn1nccc1CN1CCCC[C@H]1c1cc(O)n2ccnc2n1 257227422 FPETULHBGTZMCI-AWEZNQCLSA-N 312.377 1.896 0 40 DDAB CCCc1ccc(CN(CCC)C[C@@H]2COC[C@@H](O)[C@H]2O)o1 585292007 VJBYIYVGFSOTAP-XYPHTWIQSA-N 311.422 1.812 0 40 DDAB CC(=O)N1CC(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)C1 1548446476 LXMCANNBZZUCRZ-CVEARBPZSA-N 302.374 1.189 0 40 DDAB CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 31611214 RQVXIIDUHZUQNW-CQSZACIVSA-N 319.386 1.131 0 40 DDAB Cc1nnc(CN(C)CC(=O)NCCc2ccc(F)cc2)n1C 72277242 MKLIFGCQZFHMJB-UHFFFAOYSA-N 319.384 1.053 0 40 DDAB CC(C)(C)c1nnc(CN2CCn3c(nnc3C3CC3)C2)o1 78788284 CGDOVBCPFSJROP-UHFFFAOYSA-N 302.382 1.852 0 40 DDAB COC[C@H](O)CN(C)C(=O)CCc1cc(OC)ccc1OC 75092808 JUTYVBGATIIUOF-CYBMUJFWSA-N 311.378 1.102 0 40 DDAB CN1CCO[C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)C1 58108909 LZSPSFJCNQEJMU-HNNXBMFYSA-N 322.430 1.224 0 40 DDAB COC(=O)c1ncn(Cc2nn(-c3ccccc3)c3c2CCC3)n1 76608885 MEXIMNLCJVIVHW-UHFFFAOYSA-N 323.356 1.787 0 40 DDAB Cc1ccc(N2C[C@H](/C(O)=N/S(C)(=O)=O)CCC2=O)cc1C 89963981 YVYDLNLTUOOLBR-GFCCVEGCSA-N 324.402 1.963 0 40 DDAB CS(=O)(=O)NCC1CCC(C(=O)NCc2ccco2)CC1 42381349 UUEPDDFKFWWISU-UHFFFAOYSA-N 314.407 1.251 0 40 DDAB COc1cc(OC)c2c(c1)O[C@@]1(C(=O)CC(=O)C[C@H]1C)C2=O 110343179 WHASGVKEKOYBSQ-BCTVWOGZSA-N 304.298 1.586 0 40 DDAB in-vitro O=C(C[C@@H](NCCc1ccccc1)C(=O)O)Nc1cccnc1 5258814 WACZZAXAZXWNJV-OAHLLOKOSA-N 313.357 1.696 0 40 DDAB COCC(=O)NCCCn1nc(-c2ccccc2)ccc1=O 11738314 DEWVBMSIRNFSOR-UHFFFAOYSA-N 301.346 1.063 0 40 DDAB Cc1nn(CC(=O)N2CCCC2)c(=O)c2cc3ccsc3n12 12114202 UKHMBZZPVGMHSH-UHFFFAOYSA-N 316.386 1.642 0 40 DDAB COC(=O)Cn1nc2c(C)cc3ccc(OC)cc3n2c1=O 12181871 YOKKYLBISYPRCU-UHFFFAOYSA-N 301.302 1.139 0 40 DDAB O=C(Nc1ccccc1C(=O)Nn1cnnc1)c1ccccc1O 14406092 KSNQZLMJPAHGJB-UHFFFAOYSA-N 323.312 1.620 0 40 DDAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)Nc3ccccn3)C2)o1 19747795 CUXAQVPDRRQJQQ-GFCCVEGCSA-N 314.345 1.787 0 40 DDAB CC[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C 4139048 ZIWLLLBLZSNUJO-QMMMGPOBSA-N 320.418 1.795 0 40 DDAB COC(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 7088904 XROQWKCUEDRFKE-SNVBAGLBSA-N 308.315 1.847 0 40 DDAB O=C(/N=c1\ccccn1Cc1ccccc1)c1ccc[nH]c1=O 21924943 KXIIFHGBKXSJPA-CAPFRKAQSA-N 305.337 1.966 0 40 DDAB O=C(Nc1nncs1)[C@H]1CC(=O)N(Cc2ccccc2)C1 21213839 FXYOSGMWWHJGIQ-NSHDSACASA-N 302.359 1.525 0 40 DDAB Cc1nsc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)n1 1888854101 SBOADHPLHNZIJH-UHFFFAOYSA-N 318.406 1.546 0 40 DDAB COCC(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888867140 ZTPLVJJFPNKZDE-BETUJISGSA-N 314.389 1.114 0 40 DDAB CN1CCO[C@@H]2CN(C(=O)Cc3noc4ccccc34)C[C@@H]2C1 1614932738 CCLOZXPYBQNDLL-BLLLJJGKSA-N 315.373 1.159 0 40 DDAB COC[C@@H]1CN(C(=O)CCc2ccc[nH]2)Cc2cn(C)nc21 2055751371 PDLNPYSHBKKOSC-ZDUSSCGKSA-N 302.378 1.453 0 40 DDAB Cc1ccc(NC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1C 1775966252 VYTZPGYSEUGKMD-UHFFFAOYSA-N 315.373 1.916 0 40 DDAB C=CC(=O)N1CCC(c2nccnc2Nc2ncccn2)CC1 585291088 JYTHCLBZWCBXNF-UHFFFAOYSA-N 310.361 1.902 0 40 DDAB O=C(Nc1cccnc1)C1CCN(C(=O)N2CCCC2)CC1 40107218 CDPMTXTWSONFMX-UHFFFAOYSA-N 302.378 1.948 0 40 DDAB NC[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 50246833 XONGEWABNWCLSW-SECBINFHSA-N 324.324 1.555 0 40 DDAB Cc1cnc2c(S(=O)(=O)N3CC[C@H](CN)C3)cccc2c1 50246821 UMEJHPLDXDWGSI-GFCCVEGCSA-N 305.403 1.513 0 40 DDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)NC(=O)CO2 31700311 BXIRXZMDADGYCI-SSDOTTSWSA-N 318.251 1.923 0 40 DDAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O 226489 OQUUHLBXFYAZAH-SECBINFHSA-N 302.286 1.735 0 40 DDAB Cc1ccc(OCCNC(=O)N2CCC(C(N)=O)CC2)c(C)c1 32843676 IWNJLOLQKFWFOD-UHFFFAOYSA-N 319.405 1.589 0 40 DDAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 21607114 CAQXIPQDEFUUOJ-KBVBSXBZSA-N 310.350 1.473 0 40 DDAB Cc1cc(NC(=O)CN2CCN(c3nc(C)cs3)CC2)on1 52662551 LUZMTIIMGYIQPT-UHFFFAOYSA-N 321.406 1.509 0 40 DDAB O=C(NCc1cnn(Cc2ccccc2)c1)NC[C@H]1CCOC1 41332284 VHKCQMQJOUHUQF-OAHLLOKOSA-N 314.389 1.767 0 40 DDAB Cc1cccn(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1=O 103136570 LCASJCLOPMHZGE-GFCCVEGCSA-N 314.341 1.763 0 40 DDAB CCNc1nc(OC)nc(Oc2ccc(OC(C)C)nn2)n1 523824 YSZYQIBYPGMROC-UHFFFAOYSA-N 306.326 1.682 0 40 DDAB COc1cccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)c1OC 33452415 CJLJIHSLAZYFHR-MYSGNRETSA-N 307.346 1.942 0 40 DDAB CCO[C@H]1C[C@H](NC(=O)NCCn2ccnn2)C12CCCCC2 104392145 QRVWQYMWBWIYCO-KBPBESRZSA-N 321.425 1.705 0 40 DDAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc12 139294 BKTYCTUBDJNJLN-VIFPVBQESA-N 305.286 1.070 0 40 DDAB biogenic Cc1ccc(N2C(=O)N([C@@H](C)C(=O)NC3CC3)C(=O)[C@@H]2C)cc1 12587986 WNJFBPIWTHIVOX-RYUDHWBXSA-N 315.373 1.819 0 40 DDAB COC(=O)C(Br)(Br)Br 2557052 QQHSHLKOWBDOFC-UHFFFAOYSA-N 310.767 1.998 0 40 DDAB biogenic CC(=O)NC1=NC(=O)/C(=C/c2cc(=O)c3ccccc3o2)N1C 3849558 CEBDGTHWZXOAAR-GHXNOFRVSA-N 311.297 1.098 0 40 DDAB O=C1NC(=O)[C@H]2[C@H]1ON(c1ccccc1)[C@H]2c1cccs1 4171791 LQFAKSSYIXZCSM-FRRDWIJNSA-N 300.339 1.882 0 40 DDAB O=C(CNC(=O)NCCCOCCc1ccccc1)NC1CC1 56458101 FVYTVZZIVJGPBD-UHFFFAOYSA-N 319.405 1.214 0 40 DDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N(C)c1ccccc1 6533303 FIFUOKWXDFXWMI-VIFPVBQESA-N 303.391 1.785 0 40 DDAB CCOC(=O)c1c(SC)nn2c(=O)c(Cl)c(C)[nH]c12 103584532 MYAXSAXGZMVPRS-UHFFFAOYSA-N 301.755 1.883 0 40 DDAB CCCn1c(=O)c2ccccc2n(CC(=O)N(CC)CC)c1=O 57477426 KUIRMABONYTKJW-UHFFFAOYSA-N 317.389 1.442 0 40 DDAB CCn1nnc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)n1 8053672 AORIZEAINMXBMG-UHFFFAOYSA-N 324.797 1.402 0 40 DDAB CNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 27056644 CHRGYSFUNJDKTE-STQMWFEESA-N 316.357 1.960 0 40 DDAB CCOC(=O)c1nc(CN2CCC[C@@H](NC(C)=O)C2)cs1 58135801 QERKEPLYMKLSBQ-LLVKDONJSA-N 311.407 1.420 0 40 DDAB O=C(NCCN1CCCC1)NC[C@@H]1COc2ccccc2O1 58297128 OCBKLHDPPFUKME-CYBMUJFWSA-N 305.378 1.221 0 40 DDAB C[C@H]1COCCN1C(=O)NCCOc1ccc2c(c1)OCO2 44972027 FPVFAKLUYJDMMH-NSHDSACASA-N 308.334 1.224 0 40 DDAB COc1ccc(C(N)=O)cc1NC(=O)NCC[C@H]1CCCO1 44967789 BGRDEFTWEUMIED-LLVKDONJSA-N 307.350 1.485 0 40 DDAB CC(C)OCCCNC(=O)C(=O)NCc1ccccc1Cl 9235194 KZLJXRVZZNJOTI-UHFFFAOYSA-N 312.797 1.888 0 40 DDAB C[C@@H](CNC(=O)CCNC(=O)C(C)(C)C)N1CCCC[C@H]1C 58393784 GKZGWZZOWRQFPF-KGLIPLIRSA-N 311.470 1.918 0 40 DDAB Cc1noc(Cl)c1CCC(=O)NCc1ccc(C(N)=O)cc1 58328744 HPSHLHHFFYITCO-UHFFFAOYSA-N 321.764 1.984 0 40 DDAB Cc1cc(NC(=O)CNc2ccc(Cl)c(C(N)=O)c2)no1 28071378 PZTYSKUMQNNYIN-UHFFFAOYSA-N 308.725 1.786 0 40 DDAB O=S(=O)(NC1CC2(CCN(Cc3ccccn3)C2)C1)C1CC1 108527217 FYJHFSWGZRUKCB-UHFFFAOYSA-N 321.446 1.518 0 40 DDAB CCOCCCNC(=O)Nc1ccccc1CS(C)(=O)=O 58665290 NYEORQVEKPEAPW-UHFFFAOYSA-N 314.407 1.779 0 40 DDAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)cn1 10990886 FPWKNGVQEILPNC-GFCCVEGCSA-N 313.357 1.525 0 40 DDAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccccc3)nnc12 10963440 WTKWFZGWKMQFIW-UHFFFAOYSA-N 324.344 1.148 0 40 DDAB Cc1ccc(OC2CCN(C(=O)Cn3cncn3)CC2)cc1C 46398252 CDXXEMMDXJBDHU-UHFFFAOYSA-N 314.389 1.965 0 40 DDAB Cc1ccc(Cl)cc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 11990881 PYMMSXBNPRLNLF-SNVBAGLBSA-N 323.823 1.577 0 40 DDAB NC(=O)[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 52393917 ZERGPSJPLGBAAQ-QMMMGPOBSA-N 322.308 1.292 0 40 DDAB CCCC(=O)NC1CCN(Cn2c(=O)oc3ccccc32)CC1 48288699 VHXBCUZKVUONAX-UHFFFAOYSA-N 317.389 1.933 0 40 DDAB Cc1ccc(C(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100648965 PEBUXYDTCLGVRK-NRLBWEKTSA-N 314.337 1.919 0 40 DDAB C[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)[C@H](C)CO1 48302310 GWMRBRPRMXAMAV-NXEZZACHSA-N 318.295 1.503 0 40 DDAB NC(=O)c1ccsc1NC(=O)CSc1nnc(N)s1 3402771 GSENRMRTJYBOLT-UHFFFAOYSA-N 315.405 1.012 0 40 DDAB C[C@]1(C(=O)O)CCN(C(=O)c2cc(Br)c[nH]2)C1 62912995 AXXSFWFSPRIGQX-NSHDSACASA-N 301.140 1.714 0 40 DDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1ccnc1 9318673 OLGKDGBSYOFMGR-UHFFFAOYSA-N 311.345 1.168 0 40 DDAB Cc1cnc(NC(=O)Cn2c(=O)cnc3ccccc32)s1 9376331 GLYKKBOLBULGEE-UHFFFAOYSA-N 300.343 1.800 0 40 DDAB CC(C)CCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O 9477095 JXVILTQUDIBSGS-ZDUSSCGKSA-N 321.377 1.643 0 40 DDAB CC(C)NC(=O)CNC(=O)c1ccc(CN2CCCCC2)cc1 13985350 ZAWJJNPUXPPECU-UHFFFAOYSA-N 317.433 1.927 0 40 DDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 65415541 IENOZARTUUIRJG-HOCLYGCPSA-N 317.433 1.664 0 40 DDAB Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)o1 65488931 FNFNITOPJYCMBJ-ZDUSSCGKSA-N 321.421 1.649 0 40 DDAB CN(C)[C@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 65415441 OCGWULHRAMGXAR-CYBMUJFWSA-N 305.403 1.329 0 40 DDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 4475876 DGAXAPNCZSSXIK-PXAZEXFGSA-N 317.389 1.614 0 40 DDAB Cc1csc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 14075583 XOVGQUNLWQEWGI-GHMZBOCLSA-N 321.402 1.955 0 40 DDAB COC(=O)C(C)(C)NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 62878490 UKMYKNIWCGOPLY-LLVKDONJSA-N 307.346 1.724 0 40 DDAB COC[C@@H](C)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 5319731 ARKLMCSVCGFOPQ-SECBINFHSA-N 321.402 1.098 0 40 DDAB COC(=O)C[C@H]1CN(Cc2cn(C)nc2C(C)(C)C)CCO1 96492864 ZSLCEFBUDUPDRK-ZDUSSCGKSA-N 309.410 1.482 0 40 DDAB CC(C)CSCCC(=O)NCCC(=O)NCc1cccnc1 65906442 IBJKNSNNIXRZSC-UHFFFAOYSA-N 323.462 1.983 0 40 DDAB CCCCCC[C@H](C)NC(=O)CSc1nc(N)cc(=O)[nH]1 9512606 FNFYNGLYOQBBKR-JTQLQIEISA-N 312.439 1.919 0 40 DDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@H](C)n2cncn2)n1 71870149 RIMBJMTVWDYSRW-UONOGXRCSA-N 302.382 1.344 0 40 DDAB O=C1C[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)c2ccccc2N1 71839867 RLLXCHQODWFMDM-HIFRSBDPSA-N 313.401 1.809 0 40 DDAB COc1cccc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)c1 6659581 JEQBIGDOXOHKBS-NSHDSACASA-N 324.340 2.000 0 40 DDAB COc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cn1 71876830 YABRNTFRUAZSSY-UHFFFAOYSA-N 301.346 1.641 0 40 DDAB c1cnnc(N2CCC[C@H]2CNCc2noc(C3CC3)n2)c1 71859923 XLKGQXQJYXYOFW-LBPRGKRZSA-N 300.366 1.496 0 40 DDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3ccco3)CC2)cn1 71830447 DKXRWLIHGBJROU-JKSUJKDBSA-N 314.389 1.461 0 40 DDAB C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 71871286 LCWTZAMWGPEHGA-AVGNSLFASA-N 322.371 1.880 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)no1 7046827 AGTYHQGBAYJFQT-UHFFFAOYSA-N 305.334 1.631 0 40 DDAB CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCNC1 67513779 SDJIODFTDROTTM-KRWDZBQOSA-N 324.428 1.944 0 40 DDAB CCCn1nnnc1COC(=O)Cc1ccc(NC(C)=O)cc1 7304915 XRFVRLBNGKMNCP-UHFFFAOYSA-N 317.349 1.327 0 40 DDAB COC(=O)C1CCN(CC(=O)Nc2cccnc2Cl)CC1 7457421 BNYIMNPLYUDNNG-UHFFFAOYSA-N 311.769 1.559 0 40 DDAB CCCn1c(SCC(=O)c2cc(C)n(C)c2C)n[nH]c1=O 7699067 YMGFLBANUOBAST-UHFFFAOYSA-N 308.407 1.912 0 40 DDAB O=C(NCc1ccccc1-n1ccnc1)NC[C@H]1CCC[C@H]1O 73865651 VMOVNFIUDKHIQH-GDBMZVCRSA-N 314.389 1.833 0 40 DDAB NC(=O)CCS(=O)(=O)CCN1CC=C(c2ccccc2)CC1 16551165 LRPVTZMKPYZWOH-UHFFFAOYSA-N 322.430 1.066 0 40 DDAB CC(C)(CNC(=O)[C@@]1(C)CC1(Cl)Cl)S(C)(=O)=O 95963619 QPUHIAVDELXCFY-SECBINFHSA-N 302.223 1.510 0 40 DDAB C[C@@H]1CN(Cc2cscn2)CCN1c1ccc2nncn2n1 69459073 JPIRBMWYZZDXIT-LLVKDONJSA-N 315.406 1.292 0 40 DDAB Cc1cnn(CCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 69486326 LTVAVUMJPJHWJY-HNNXBMFYSA-N 301.394 1.950 0 40 DDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C)OCC3CC3)CC2)nn1 69493119 XRXUHVZTNGQZCH-CQSZACIVSA-N 318.421 1.639 0 40 DDAB Cc1cn2nc(N3CCC[C@@H]3Cn3nc(C)nc3C)sc2n1 69563664 NDMIDUNBIMSBJD-GFCCVEGCSA-N 317.422 1.977 0 40 DDAB CC1CCN(C[C@H](O)CN2CCC[C@H](Cn3cncn3)C2)CC1 69697396 AWGUJNUKOFXHFG-IRXDYDNUSA-N 321.469 1.083 0 40 DDAB C[C@@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1ccco1 69628294 ZJXGZKOLSAESPG-KGLIPLIRSA-N 317.393 1.461 0 40 DDAB CCOC(=O)N1CCN(C(=O)CNCc2cccs2)CC1 8577903 NHTBPCMTQFCKHI-UHFFFAOYSA-N 311.407 1.138 0 40 DDAB Cc1ccc(N(C)C2CCN(C(=O)C[C@H]3CCCO3)CC2)nn1 69808041 UAZBTFGEVSZBSM-OAHLLOKOSA-N 318.421 1.781 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(N2CCCC2)nc1 72288379 WELXLGCLFFAJJF-CQSZACIVSA-N 311.389 1.623 0 40 DDAB C[C@]1(C(=O)O)CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 62912711 IYRGWAROUUSMEC-AWEZNQCLSA-N 311.359 1.027 0 40 DDAB CC(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 8733838 PVKPYTPKIJYCCY-UHFFFAOYSA-N 309.391 1.191 0 40 DDAB CN(C)C[C@@](C)(O)CNC(=O)Cc1csc(C(C)(C)C)n1 84284790 KGHGLUNAYKKWTL-HNNXBMFYSA-N 313.467 1.412 0 40 DDAB Cc1cc(NC(=O)NCc2cccc(N(C)C)n2)c[nH]c1=O 95981918 VRGBUSSGNOQRNS-UHFFFAOYSA-N 301.350 1.466 0 40 DDAB C[S@@](=O)c1nncn1-c1ccc(S(=O)(=O)C(F)F)cc1 92653942 AAOFZIRSEKKKIK-IBGZPJMESA-N 321.330 1.001 0 40 DDAB CC[C@@H](C(=O)Nc1ncn(CC(=O)NC)n1)c1ccc(F)cc1 97141669 SBKKIZLZCHQDEW-GFCCVEGCSA-N 319.340 1.296 0 40 DDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NCc1nc(-c2ccccc2)no1 71283549 VIHIPJVDHQSAHX-VXGBXAGGSA-N 315.329 1.710 0 40 DDAB Cc1sc(NC(=O)[C@@H]2CNC(=O)N2)nc1Cc1ccccc1 89548329 BACGBZBWSOHIJG-LBPRGKRZSA-N 316.386 1.662 0 40 DDAB Cn1nccc1COC(=O)CN1C(=O)CSc2ccccc21 89741134 MXFHLCAEXYBDMO-UHFFFAOYSA-N 317.370 1.602 0 40 DDAB CCNC(=O)NCCCOC(=O)[C@H]1Cc2ccccc2C(=O)O1 89977482 WUFHJUZNEZLUDB-CYBMUJFWSA-N 320.345 1.021 0 40 DDAB CN1CCN(C2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O 75604090 WOVUWNRMHDUMHT-MRXNPFEDSA-N 303.406 1.552 0 40 DDAB C[C@]1(C(=O)N[C@H]2CCC[C@H](N)C2)CC(c2ccccc2)=NO1 1548558003 SEJPDDZEYQGDMB-GRDNDAEWSA-N 301.390 1.956 0 40 DDAB CN(C)CCNC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 36615362 DBPIDVBJGBKGJB-LBPRGKRZSA-N 313.760 1.650 0 40 DDAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2cnccn2)c1 72364523 URUSRGBPQNGWAH-LBPRGKRZSA-N 307.379 1.126 0 40 DDAB NCC1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 218035763 BFJXUQYNYILNKN-HZPDHXFCSA-N 316.426 1.530 0 40 DDAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)CC)c2)C1 45953909 UMZHTWMTPRJVTQ-LLVKDONJSA-N 304.346 1.951 0 40 DDAB CC1=CCN(CCNC(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)CC1 570679989 FJFVIWIITSJOMI-ZIAGYGMSSA-N 309.410 1.391 0 40 DDAB COC(CNC(=O)c1ccc(O[C@@H]2CCSC2)nc1)OC 225712756 YPQNMTSNMDLKGV-LLVKDONJSA-N 312.391 1.315 0 40 DDAB COC(=O)[C@@](C)(NCC(=O)N1CCCc2ccccc21)C1CC1 81152766 NXSONSLGINCRGQ-SFHVURJKSA-N 316.401 1.897 0 40 DDAB Cn1cnc2cc(C(=O)NCCSc3ncn[nH]3)ccc21 225891073 PCNDVYWCOCAPIN-UHFFFAOYSA-N 302.363 1.214 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 21896923 CSEYSJVKBVZCJI-UHFFFAOYSA-N 317.798 1.345 0 40 DDAB COC(=O)CNC(=O)Cc1c(C)n[nH]c1-c1ccc(OC)cc1 95472201 GGDUADZCSBUGTR-UHFFFAOYSA-N 317.345 1.225 0 40 DDAB O=C(O)[C@H]1C[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@H]2O1 91303066 YDYLAUXUHIXCDN-BFHYXJOUSA-N 305.330 1.887 0 40 DDAB CC(C)CN1CCN(C(=O)c2cnn(C(C)C)c2)[C@H](C)C1=O 330946102 HGEOXMGXZIKRGC-CYBMUJFWSA-N 306.410 1.793 0 40 DDAB O=C1NCCN(Cc2csnn2)[C@H]1c1ccccc1Cl 97372953 RJIFWLJNEOFHLK-LBPRGKRZSA-N 308.794 1.865 0 40 DDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1ccccn1)C2 96060716 PATZUWRECGHKCI-CQSZACIVSA-N 313.405 1.736 0 40 DDAB CCN(CC)S(=O)(=O)CCN[C@H]1CC(C)(C)OC1(C)C 96477276 NMNZRPVTMFDKBB-LBPRGKRZSA-N 306.472 1.594 0 40 DDAB CN(CCNC(=O)c1n[nH]c2c1CCC2)Cc1ccc(F)cc1 96451693 YFWLEOIKJUWYHH-UHFFFAOYSA-N 316.380 1.899 0 40 DDAB Cc1ccc(N2C[C@H]3CCC[C@@]3(COCC(=O)N(C)C)C2)nn1 96109170 ZHVZHKHSFPUXGJ-PBHICJAKSA-N 318.421 1.496 0 40 DDAB c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)cn1 96250218 BOPKJIKXOJLDEX-YESZJQIVSA-N 305.422 1.789 0 40 DDAB O=C(NC1CCCC1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCOCC1 245230273 ONHUITOWOIOJSB-DARAHFNDSA-N 318.417 1.342 0 40 DDAB CO[C@H](C)CS(=O)(=O)N[C@H]1CCCC[C@H]1n1cccn1 249435993 FDENBCUTDPSFNW-FRRDWIJNSA-N 301.412 1.321 0 40 DDAB CCOc1ccc2nnc(CNC(=O)c3cc(C)oc3C)n2n1 252503957 VHLWZOQPPFIIAU-UHFFFAOYSA-N 315.333 1.663 0 40 DDAB Cc1nc(O)cc([C@H]2CN(Cc3csc(C)n3)CCO2)n1 257264608 LVFUXZDXXZWDAG-CYBMUJFWSA-N 306.391 1.829 0 40 DDAB O=C(O)c1ccc(O[C@@H]2CN(Cc3nccs3)C[C@H]2O)cc1 257227817 FRBBLJWZNUOFHO-CHWSQXEVSA-N 320.370 1.465 0 40 DDAB CC(C)c1cc(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)n(C)n1 543868795 ZVVLVGCPIAUZHV-CQSZACIVSA-N 312.373 1.689 0 40 DDAB CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H](O)[C@@H]1O 257238572 HLQLDFWWUMOCDQ-BRWVUGGUSA-N 303.402 1.912 0 40 DDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccnc(O)n1 257215870 CSAISMZHJKKKRG-LBPRGKRZSA-N 313.313 1.888 0 40 DDAB CCn1cc(C(=O)N2CCC[C@H](c3nc(C)cn3C)C2)cn1 257304056 SJXCJOUJJUUZFX-ZDUSSCGKSA-N 301.394 1.965 0 40 DDAB O=C(CCN1CCOCC1)N1CCC[C@@H](Cc2ccccn2)C1 257337910 YUZHPUCMPSQOPA-INIZCTEOSA-N 317.433 1.585 0 40 DDAB O=C1CO[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)CC[C@@H]2N1 257298680 RMWAQNXENFFPTF-ZFWWWQNUSA-N 313.357 1.288 0 40 DDAB COCC(=O)N1CCC2(CC1)CN(C)C[C@H]2COCC1CC1 585102713 BJUJZYOPLMFBLD-HNNXBMFYSA-N 310.438 1.230 0 40 DDAB N[C@H]1CN(C(=O)NCc2nccc3c2CCCC3)CC12CCC2 1551470724 SRBZORCVEIPNMB-INIZCTEOSA-N 314.433 1.983 0 40 DDAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 69917762 HJXRRNRAZWSVAT-HNNXBMFYSA-N 315.421 1.975 0 40 DDAB CC[C@@H](O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69969269 YMQSRCLBMUFJFV-WBVHZDCISA-N 302.418 1.632 0 40 DDAB c1cnc(OC[C@@H]2CCCN(c3nccn4nccc34)C2)nc1 1776000779 JLDRMXKMHJTRKM-CYBMUJFWSA-N 310.361 1.815 0 40 DDAB CCN([C@H](C)CC(=O)O)S(=O)(=O)c1cc(C)ccc1OC 61181526 CLMWUDAEUOEHIT-LLVKDONJSA-N 315.391 1.877 0 40 DDAB C[C@H](O)CN1CCN(C(=O)c2ccc3ncsc3c2)CC1 85436801 AZNJGRBLQIWIRR-NSHDSACASA-N 305.403 1.435 0 40 DDAB Cc1nsc(N2CCN(c3nccc(N(C)C)n3)CC2)n1 301696679 QAWNXZGAWSRLAI-UHFFFAOYSA-N 305.411 1.029 0 40 DDAB CCc1cc(N2CCN(c3cc(OC)ncn3)CC2)ncn1 680857264 FIGJMTLINBVFIS-UHFFFAOYSA-N 300.366 1.164 0 40 DDAB C[C@H](C(=O)NC1CC1)n1nc(-c2cccs2)cc(N)c1=O 12181217 VSDHTGMLRWCKHC-MRVPVSSYSA-N 304.375 1.394 0 40 DDAB CCN(CC)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199745 UBTWVEKQVGCXQI-UHFFFAOYSA-N 310.375 1.371 0 40 DDAB CCc1nc2n(n1)[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 17052412 CIIMQZAGKJVDNV-LBPRGKRZSA-N 313.361 1.083 0 40 DDAB Cc1cnn(Cc2ccc(C(=O)N(C)Cc3nonc3C)o2)c1 19240021 CHIFSPWSTKWAQH-UHFFFAOYSA-N 315.333 1.796 0 40 DDAB O=C(CSCc1ccccc1)N1CC[C@@H](n2ccnn2)C1 206926335 WLECSLXHSKWUMW-CQSZACIVSA-N 302.403 1.985 0 40 DDAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCCCC2)c1 3462105 GLYWMWCRYLQEFH-UHFFFAOYSA-N 304.346 1.814 0 40 DDAB Cc1cc(C)nc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 1888876277 DROZQQOLXKTEQH-UHFFFAOYSA-N 305.359 1.749 0 40 DDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCC1 32444670 MTKZQFVVAWQMCK-UHFFFAOYSA-N 300.355 1.117 0 40 DDAB Cc1cnn(CC2CN(C3=NS(=O)(=O)c4ccccc43)C2)c1 2086964111 CSOYDPBBARRTQV-UHFFFAOYSA-N 316.386 1.272 0 40 DDAB CCCCN1C(=O)N[C@@](NC(=O)C2CC2)(C(F)(F)F)C1=O 4653831 VTFYYZQGHQHLSI-LLVKDONJSA-N 307.272 1.123 0 40 DDAB O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccccc1 4940909 HXIVMHLNRODZOT-UHFFFAOYSA-N 318.398 1.536 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2ccccc2Cl)CC1 38489968 HUKABLKHFURWAI-UHFFFAOYSA-N 300.811 1.954 0 40 DDAB O=C(Cn1cnc2c(c1=O)CCCC2)Nc1ccc(F)cc1 49404538 FHHTWBADSVWLHB-UHFFFAOYSA-N 301.321 1.900 0 40 DDAB COc1ccc(CCC(=O)N2CC(Nc3ncccn3)C2)cc1 238959251 YGZUUJNAZPHVCO-UHFFFAOYSA-N 312.373 1.741 0 40 DDAB O=C(CCc1ccccc1F)N1CC(Nc2ccncn2)C1 585149059 TVNBSSRZBSSHFB-UHFFFAOYSA-N 300.337 1.871 0 40 DDAB C[C@H](N)C(=O)N1Cc2ccccc2O[C@]2(CCCN(C)CC2)C1 72394789 YCNQXHSTPRIQLA-KSSFIOAISA-N 317.433 1.609 0 40 DDAB Cn1cc(CCC(=O)N2CCc3ccccc3[C@H]2C(=O)O)cn1 96480143 PPLGKXMKWNPEFF-INIZCTEOSA-N 313.357 1.563 0 40 DDAB O=C1CO[C@H]2CN(CC3CC3)C[C@H]2N1Cc1ccc(F)cc1 67897196 KSILJNMPULGIAN-CVEARBPZSA-N 304.365 1.647 0 40 DDAB biogenic,in-vitro O=C(NC1CCN(Cc2nnsc2Cl)CC1)C1CC1 30283754 YQANAVKJYISKTR-UHFFFAOYSA-N 300.815 1.682 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc32)C1 40090310 RTSHNWHYLKOVJD-GFCCVEGCSA-N 324.402 1.084 0 40 DDAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccco2)C1=O 20289591 DRDIPGRDASYCTA-OUKQBFOZSA-N 319.361 1.912 0 40 DDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)[nH]n1 31613280 YSFXCRSPXRKFEY-LLVKDONJSA-N 323.349 1.133 0 40 DDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCCC2)on1 40528512 CSEGWYZFZBHFBJ-LLVKDONJSA-N 314.407 1.735 0 40 DDAB Cc1c(C(=O)NCCCN(C)C)nnn1-c1ccc(Cl)cc1 51318182 GPUJBCLJQUCISI-UHFFFAOYSA-N 321.812 1.911 0 40 DDAB O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(-c2cccnc2)nc2c1CNC2 102138772 YDWNCXYOCXDISI-WDNDVIMCSA-N 323.400 1.634 0 40 DDAB Cc1ccc2c(COC(=O)[C@H]3CCC(=O)N3)cc(=O)oc2c1 21850177 AUTUFAPWYVIENF-GFCCVEGCSA-N 301.298 1.423 0 40 DDAB CC(C)NC(=O)c1snc(C(=O)NCc2ccccc2)c1N 33171839 GXEWNPSVBNHHIQ-UHFFFAOYSA-N 318.402 1.794 0 40 DDAB Cc1noc(C2CCN(C(=O)CCNc3ncccn3)CC2)n1 54135421 SBJPYVUEXMMOAH-UHFFFAOYSA-N 316.365 1.376 0 40 DDAB Cc1sc2ncnc(NCCC(=O)N3CCOCC3)c2c1C 42649517 QQRVNVKFAGFMBJ-UHFFFAOYSA-N 320.418 1.969 0 40 DDAB O=C1COCC(=O)N1c1ccc(I)cc1 101085 WASBYVSABHRCCY-UHFFFAOYSA-N 317.082 1.181 0 40 DDAB CCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1 418511 GAZGIPCDICMYGM-UHFFFAOYSA-N 304.350 1.938 0 40 DDAB CN1CC[C@H](CN(C)C(=O)NCCc2ccc3c(c2)OCO3)C1 78757771 SULIUFWBPZQMQR-AWEZNQCLSA-N 319.405 1.551 0 40 DDAB CN(Cc1cnn(C)c1)C(=O)c1cccc(C[S@](C)=O)c1 55430920 CMKZPLNZWADCRA-OAQYLSRUSA-N 305.403 1.571 0 40 DDAB COc1ccc(OC)c([C@@H]2CCCN2c2cc(=O)[nH]c(=O)[nH]2)c1 96006353 WTUVVVCMXVNYHC-LBPRGKRZSA-N 317.345 1.422 0 40 DDAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnnn2C)c1C 2624064 ALHJXYFZRIGWEC-JTQLQIEISA-N 323.422 1.811 0 40 DDAB NC(=O)CSC1=C(SCC(N)=O)SCCCS1 3672036 AMNWUVTXFIXRAS-UHFFFAOYSA-N 310.491 1.420 0 40 DDAB CCN1CCCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 107499891 LLTYOIHNXFJBFH-CYBMUJFWSA-N 318.421 1.140 0 40 DDAB CN(C(=O)NCCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 44253798 DRXJAPNGRWIGLH-CYBMUJFWSA-N 314.382 1.197 0 40 DDAB O=C(Cn1cc(Br)ccc1=O)Nc1ncccc1O 95949038 AHFPJMBASNSQAJ-UHFFFAOYSA-N 324.134 1.350 0 40 DDAB CC(C)NC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 108369293 ATNDWYCDJZEEFC-DLBZAZTESA-N 323.481 1.619 0 40 DDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCC(C(=O)O)CC1)OC2=O 101430417 MMJKXLMXSQEHQX-HOTGVXAUSA-N 309.362 1.432 0 40 DDAB COc1ccc(CC(=O)Nc2nnc3n2CCS3)cc1OC 8600613 WUMKFTRCWUIFLH-UHFFFAOYSA-N 320.374 1.582 0 40 DDAB NC[C@H](c1ccc(Br)cc1)N1CC[C@H](C(=O)O)C1 35622901 OQKXCYUDIDMPHX-CMPLNLGQSA-N 313.195 1.855 0 40 DDAB NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810612 BJKNPIGRRBLJKE-UHFFFAOYSA-N 312.297 1.865 0 40 DDAB COc1ccc(-c2noc(CN3CCC[C@@H](O)C3)n2)cc1OC 58049861 QFERCSMWSYOYDY-GFCCVEGCSA-N 319.361 1.711 0 40 DDAB CN1CC(=O)N(CCOc2cccc(C(F)(F)F)c2)C1=O 58283708 UVBFPCNNHKTNII-UHFFFAOYSA-N 302.252 1.978 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)CCn1cnc2ccccc2c1=O 44909556 HOZYTLXOBGSLPZ-QWHCGFSZSA-N 315.373 1.422 0 40 DDAB CC[C@@H](O)CN(CC(=O)NC(=O)NC1CC1)c1ccccc1 58331458 GOVGGNWPOLFNRD-CQSZACIVSA-N 305.378 1.252 0 40 DDAB CCOCCCNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC 58393669 WWVWWAQQOBPNTO-NEPJUHHUSA-N 302.440 1.477 0 40 DDAB C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)o1 48079098 ZBMJHZWGMRXJRX-JTQLQIEISA-N 312.391 1.735 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc3c(c2)OCO3)C1 27931100 MMDZNIAYAVJLQV-NSHDSACASA-N 312.391 1.482 0 40 DDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2sccc2C1 28176020 MGRMQNNWTBTSSG-LLVKDONJSA-N 321.446 1.219 0 40 DDAB CC(=O)N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 36390064 QHMXWEXBUPGDGB-UHFFFAOYSA-N 319.409 1.101 0 40 DDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1cccc(F)c1 101512110 YKBWFLNSZWHVSG-UHFFFAOYSA-N 315.308 1.436 0 40 DDAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NC(C)(C)C 36799173 QNAXZSKITYRWHJ-LLVKDONJSA-N 304.394 1.744 0 40 DDAB COCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355054 UERQTPXRCRCUNX-SWLSCSKDSA-N 308.353 1.498 0 40 DDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(O)c2ccccc2c1=O 2628003 WUURTVLBWMPCEX-BXUZGUMPSA-N 315.373 1.797 0 40 DDAB O=C(NCCOc1ccc2c(c1)OCO2)Nc1nncs1 47498109 VOHLVVLLLRGTQE-UHFFFAOYSA-N 308.319 1.467 0 40 DDAB COc1ncccc1NC(=O)N1CCC(CNC(C)=O)CC1 48261074 NJHHUASROAKBCR-UHFFFAOYSA-N 306.366 1.470 0 40 DDAB NC(=O)NCCCC(=O)OCC(=O)c1ccc(Cl)s1 3372891 VLECAGCIVPUEGX-UHFFFAOYSA-N 304.755 1.576 0 40 DDAB CC(C)CNC(=O)CN1CCOC[C@@H]1c1noc(C(C)C)n1 96000309 PPXZUISOKSUPBL-GFCCVEGCSA-N 310.398 1.339 0 40 DDAB CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1 13263066 FQLCHGSRMXCJCN-LBPRGKRZSA-N 311.359 1.375 0 40 DDAB Cc1cccc(C)c1NC(=O)N1[C@@H](C(=O)O)CS[C@H]1C(=O)O 4106717 QAKGSPPUDHAFJM-KOLCDFICSA-N 324.358 1.748 0 40 DDAB Cc1nn(C)cc1CN(C)CC(=O)NCCc1ccccc1 14192102 HBKJPOGTNHPQJO-UHFFFAOYSA-N 300.406 1.519 0 40 DDAB Cc1ccccc1CN1CCN(C(=O)c2ccc[nH]c2=O)CC1 14116206 QEKQPKADIBBTEW-UHFFFAOYSA-N 311.385 1.641 0 40 DDAB C[C@@H]1CN(C2CCN(C(=O)/C=C/c3ccccn3)CC2)CCO1 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CCn1c(=O)c(C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 8188335 TYMNNVPLDZUDPI-UHFFFAOYSA-N 323.418 1.790 0 40 DDAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 8128405 HXWVVCMTFYGSBH-INIZCTEOSA-N 307.394 1.356 0 40 DDAB COc1c([C@@H]2CCCN2C(=O)c2ccnn2C)c(C)nn1C 84012449 YLGRPSBFBFLLNB-NSHDSACASA-N 303.366 1.448 0 40 DDAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 8212238 NBMOKWUSGLYODE-UHFFFAOYSA-N 304.375 1.946 0 40 DDAB COc1ccc([C@@H]2CCCN2CCC(=O)NC(N)=O)cc1OC 69324258 GOQHIOHEPPPDCC-LBPRGKRZSA-N 321.377 1.426 0 40 DDAB CCn1ccnc1CN1CCO[C@H](Cn2nc(C)cc2C)C1 69350123 IIZSCXNEZPJUCG-HNNXBMFYSA-N 303.410 1.617 0 40 DDAB COCc1nc(C(=O)N2CCC[C@H](n3cccn3)C2)cs1 69326008 BDCAHWYWKXLCPX-NSHDSACASA-N 306.391 1.963 0 40 DDAB COC(=O)c1cc(N[C@@H]2CCNC2=O)ccc1Br 91551184 XSQHHJSLZPKIKU-SNVBAGLBSA-N 313.151 1.536 0 40 DDAB CCN(C)CCNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 69561787 HMADGJKBGABMNW-UHFFFAOYSA-N 319.384 1.762 0 40 DDAB C[C@@H](NC(=O)CN1CCC[C@@H]1Cn1cncn1)c1cccs1 69513915 HQUXGAFVKJBFFO-CHWSQXEVSA-N 319.434 1.681 0 40 DDAB Cn1c(N)nnc1SCCOc1ccc2c(c1)CCC(=O)N2 69600618 DBDFOGGIDXAKPG-UHFFFAOYSA-N 319.390 1.453 0 40 DDAB CC(C)Oc1ccccc1CNC(=O)N[C@H]1CCCNC1=O 69740642 WFKORHSANSZYRZ-ZDUSSCGKSA-N 305.378 1.552 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)cn1 69738315 RPLCFUHOYLTDFQ-HNNXBMFYSA-N 323.360 1.373 0 40 DDAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2ccnn2)C1 69892564 NWSSWWIAJSVBOG-HOCLYGCPSA-N 313.405 1.620 0 40 DDAB COC[C@@H](O)CN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 87450487 CVTUCSRCFRJPTG-LBPRGKRZSA-N 310.781 1.830 0 40 DDAB O[C@@H](COCc1cccs1)CN1CCC[C@@H]1Cn1cccn1 69949923 YKAGEHJEECGGRX-HUUCEWRRSA-N 321.446 1.987 0 40 DDAB C[C@H](c1ccccn1)N1CCN(C(=O)Cc2cccnc2)CC1 97142456 AEIZJEGBGPEJBC-OAHLLOKOSA-N 310.401 1.925 0 40 DDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H]1CCCC[C@@H]1O 88622548 AQIJALHRDWULMA-CABCVRRESA-N 315.377 1.370 0 40 DDAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 9154867 UPTLVKXVRKWNTF-AWEZNQCLSA-N 308.403 1.448 0 40 DDAB Cc1nn(C)cc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997959 GWDATAJEPDUQBO-UHFFFAOYSA-N 322.372 1.684 0 40 DDAB CC(=O)NC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 84753049 NBCTWURAAXQCOE-HNNXBMFYSA-N 304.390 1.806 0 40 DDAB COCCNC(=O)CCNc1cncc(Br)c1 95403099 NGIOAWYYIDCLIY-UHFFFAOYSA-N 302.172 1.409 0 40 DDAB Cn1cnc(S(=O)(=O)N(Cc2ccco2)c2ccccn2)c1 89756616 HNVNIKKQCSUCPS-UHFFFAOYSA-N 318.358 1.804 0 40 DDAB NS(=O)(=O)C[C@H]1CCCN1CCOc1cccc(Cl)c1 89774667 NQAHQIUXFGNFET-GFCCVEGCSA-N 318.826 1.472 0 40 DDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccno3)C2)C1=O 89869801 WXLFNFUNEMPEAZ-MLGOLLRUSA-N 320.393 1.606 0 40 DDAB O=C([C@@H]1SCCc2sccc21)N1CCN(C2CC2)C(=O)C1 89885362 PIKVRQKKIHWGLX-CQSZACIVSA-N 322.455 1.912 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)C(=O)N1CCC(C)CC1 89948625 BFNYVNLERCNOQT-UAGQMJEPSA-N 323.481 1.870 0 40 DDAB CCC[C@H]1SCCN1C(=O)CSc1nnnn1C1CC1 76017313 WRIUEHGIFHYCIV-LLVKDONJSA-N 313.452 1.802 0 40 DDAB Cc1noc(C)c1CCC(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76053558 OBJAOSQJSSWUPS-MLGOLLRUSA-N 321.421 1.403 0 40 DDAB CN1C(=O)[C@]2(NC(N)=Nc3nc4ccccc4n32)c2ccccc21 22239220 GEMCBACTOOZKCZ-KRWDZBQOSA-N 318.340 1.263 0 40 DDAB O=C(Cc1ccc(F)cc1F)Nc1c[nH]nc1[C@H]1CCNC1 1549747126 RITJJXHTYRQJKU-JTQLQIEISA-N 306.316 1.946 0 40 DDAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NC1CC1 23260137 WUTIFRPAHYEIOG-UHFFFAOYSA-N 313.854 1.798 0 40 DDAB COC(=O)/C=C(\Nc1ccc(C(=O)O)cc1)C(=O)NC(C)C 21946169 HKLOEKBAMFDSGB-WQLSENKSSA-N 306.318 1.378 0 40 DDAB COC(=O)c1cc(N=c2[nH]nc(C(F)(F)F)s2)cn1C 515304305 LFTFEWDRRBOXJK-UHFFFAOYSA-N 306.269 1.848 0 40 DDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2[nH]ccc12 36359158 YXKVXFMFPJXKCA-LBPRGKRZSA-N 314.389 1.707 0 40 DDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CSCC(=O)O 36138897 YVWUPQOGDMUVFK-SNVBAGLBSA-N 318.420 1.177 0 40 DDAB Cc1nc(COc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)O 217390227 LCQTVBYQKMKJSQ-UHFFFAOYSA-N 308.721 1.938 0 40 DDAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241711 MLMPOFCRZQROFV-HUUCEWRRSA-N 308.353 1.640 0 40 DDAB CCc1nccn1-c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 72379161 YAWHTSGXQDZXGW-CYBMUJFWSA-N 320.418 1.926 0 40 DDAB CCS[C@H]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 72535968 ZKNQYZKMRBDTOX-RYUDHWBXSA-N 309.435 1.801 0 40 DDAB OCCCN(C[C@H](O)Cn1cccn1)[C@@H]1CCc2ccccc21 79311608 PGHUNAUPDDGAFV-FUHWJXTLSA-N 315.417 1.616 0 40 DDAB O=C(O)c1cccc(C(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)c1 566223730 KZPOVZLEPSUPER-GFCCVEGCSA-N 301.302 1.634 0 40 DDAB CC(=O)N1CCC(c2cnc(N[C@@H]3CCCOC3)cn2)CC1 72365367 RBPKAEKVHHKUEC-CQSZACIVSA-N 304.394 1.793 0 40 DDAB CCOC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 76981392 QPRAIVOYSGNOCS-HZPDHXFCSA-N 309.454 1.929 0 40 DDAB CC(=O)N1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 72225643 IJFJCGFOWSUJGT-SFHVURJKSA-N 310.401 1.798 0 40 DDAB COc1csc(C(=O)N2C[C@@H](CN)C3(CCOCC3)C2)c1 563115034 JKIZGVZHLYRVQV-LLVKDONJSA-N 310.419 1.584 0 40 DDAB CNC(=O)[C@@]1(C)CCN(Cc2cc3ccccc3n(C)c2=O)C1 565163642 MICOCOOVMQAHHF-SFHVURJKSA-N 313.401 1.497 0 40 DDAB COc1cc(-c2nc(C(=O)O)cc(=O)[nH]2)cc(OC)c1OC 49470069 DQHOCXOHLGZLNV-UHFFFAOYSA-N 306.274 1.161 0 40 DDAB Cc1noc([C@@H]2COCCN2Cc2cc(C(N)=O)cs2)n1 195573536 DNBYXRMJEXGFKZ-NSHDSACASA-N 308.363 1.112 0 40 DDAB CN(C)c1ncc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cn1 226083954 YKHSCMKQIIKGNK-INIZCTEOSA-N 317.393 1.438 0 40 DDAB Cc1ccc2nnc(C(=O)NCCn3nc(C)cc3C)nc2c1 46088939 YNTXWNKMDOMSAS-UHFFFAOYSA-N 310.361 1.577 0 40 DDAB O=C(Cc1ccn(CC(F)(F)F)n1)N[C@@]12CCC[C@H]1NCC2 1580573352 HXZXWGRODYOYKG-DGCLKSJQSA-N 316.327 1.389 0 40 DDAB Cc1noc(C2CCN(C(=O)c3nnc4ccccc4n3)CC2)n1 40714664 JZYNWBIVEWZGBT-UHFFFAOYSA-N 324.344 1.736 0 40 DDAB COc1ccc(OCC(=O)NCc2nnc3n2CCCC3)cc1 41140411 PYOWNALSQSQRNH-UHFFFAOYSA-N 316.361 1.318 0 40 DDAB Cc1ccccc1[C@H](C)N[C@H](C)C(=O)N1CCC(C(N)=O)CC1 195549567 ZMSKNIQCECEVTC-UONOGXRCSA-N 317.433 1.758 0 40 DDAB COc1ccc(C(=O)NCCCN2CCOCC2)cc1Cl 225871327 GQXNDLCNKYXNBX-UHFFFAOYSA-N 312.797 1.801 0 40 DDAB CC[C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225944789 XXPAAXTVAPPOIV-GXFFZTMASA-N 316.398 1.721 0 40 DDAB CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCCCc2ccccc21 96486570 WQGUBTNQRBHWTJ-DLBZAZTESA-N 316.401 1.818 0 40 DDAB COc1c(CN2CCC[C@@H](C3(C)OCCO3)C2)c(C)nn1C 97373165 DSBMYIOINGWOGZ-CYBMUJFWSA-N 309.410 1.712 0 40 DDAB CCn1cnc2c1[C@@H](C(=O)O)CN(Cc1cccc(C)n1)C2 96067838 DQXQCSUQPWXHJX-ZDUSSCGKSA-N 300.362 1.790 0 40 DDAB O=C(NCCCn1ccnc1)c1ccc(=O)n(-c2ccccc2)c1 96192083 QJLFIEXCEVTBGR-UHFFFAOYSA-N 322.368 1.854 0 40 DDAB Cn1cc(N2CC[C@@H]3CN(Cc4cccs4)C[C@@H]3C2=O)cn1 96249153 AKJITYWVTHTBGY-DOMZBBRYSA-N 316.430 1.967 0 40 DDAB COc1ccccc1N1CCC[C@@H](NC(=O)c2cnccn2)C1 96409313 PYQXPHQLUGCJIR-CYBMUJFWSA-N 312.373 1.884 0 40 DDAB C[C@H]1CO[C@@H](CO)CN1C(=O)Cc1csc(-c2ccoc2)n1 96486943 HDJPREMMNTYOSH-GXFFZTMASA-N 322.386 1.554 0 40 DDAB COC[C@H](O)CNC(=O)[C@@H](C)c1ccc(Br)cc1 96487683 IWPOAAYBFZPJCV-JOYOIKCWSA-N 316.195 1.676 0 40 DDAB CN(C)c1ccc(NC(=O)NC[C@](C)(O)c2ccco2)cn1 96434027 XEKDUJZNVWPTKH-HNNXBMFYSA-N 304.350 1.770 0 40 DDAB CCC[C@H]1CN(S(=O)(=O)c2ccnn2CCC)C[C@@H]1N 95360707 LNUMUCUOCUZZNF-RYUDHWBXSA-N 300.428 1.041 0 40 DDAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3c[nH]cn3)c2c1 96452995 VIURFRCKLQQBLM-UHFFFAOYSA-N 320.374 1.421 0 40 DDAB NC(=O)N1CCC2(CC1)CN(C(=O)c1cccs1)CCO2 96158937 YMLMNJAOTKHNLA-UHFFFAOYSA-N 309.391 1.134 0 40 DDAB COC(=O)CCC(=O)N1CCC2(CN(Cc3ccccc3)C2)C1 96070745 ZUJYCPFRGWTHEB-UHFFFAOYSA-N 316.401 1.674 0 40 DDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(Cc1cccnc1)C2 248033506 UGBOGVPDLWAQJA-CQSZACIVSA-N 321.446 1.246 0 40 DDAB C[C@]12CCCN(S(=O)(=O)c3cccnc3)[C@H]1CCCC(=O)N2 257201851 AJHNKDBJBTVGHL-ZFWWWQNUSA-N 323.418 1.294 0 40 DDAB Cc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)on1 257294361 QTTIGZZOSULTJI-KBPBESRZSA-N 317.345 1.423 0 40 DDAB Cc1c[nH]c([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257229558 FYNVHOJOCJDFPJ-ZDUSSCGKSA-N 307.375 1.480 0 40 DDAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H](Cc2ccn[nH]2)C1 257287498 PQFUORFUJMZXCC-ZDUSSCGKSA-N 324.388 1.636 0 40 DDAB O=C(O)c1ccccc1-n1cc(CN2CC[C@H](CO)C2)cn1 257251172 JPSSVVYABCNZKE-LBPRGKRZSA-N 301.346 1.385 0 40 DDAB Cc1snnc1C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2CC1CC1 585107693 YRICCTANKRSJGF-GHMZBOCLSA-N 306.391 1.072 0 40 DDAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc[nH]n2)c1C 71899850 CNNWBAWACXAXBC-UHFFFAOYSA-N 323.374 1.325 0 40 DDAB CC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1C 133352053 LVBRPYBEKZANBM-SNVBAGLBSA-N 322.224 1.807 0 40 DDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2cccnc2)no1 1775964062 PWMBWRPYSFMDNX-NSHDSACASA-N 315.333 1.078 0 40 DDAB biogenic,in-vitro Cc1cccnc1OCC1CCN(S(=O)(=O)C2CC2)CC1 1775996144 XGSIPLQJQPOKCV-UHFFFAOYSA-N 310.419 1.973 0 40 DDAB Cc1cccnc1OCC1CCN(S(=O)(=O)N(C)C)CC1 1776008562 GKWHIQVXXBGWQY-UHFFFAOYSA-N 313.423 1.287 0 40 DDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cnsn1 48771349 MSLYKUMQWSASEN-UHFFFAOYSA-N 319.314 1.787 0 40 DDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCc2nccn2C1 72278756 JDSSNOZHWKFURB-GWCFXTLKSA-N 301.394 1.468 0 40 DDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC/C=C/c1ccccc1 72300577 LTNZIGDYZJIDGZ-IVRLUWICSA-N 308.447 1.959 0 40 DDAB CC(C)CN1CC[C@@H](C(=O)NCCCCn2ccccc2=O)C1 84544242 HWQVKZUVVWFOJW-MRXNPFEDSA-N 319.449 1.723 0 40 DDAB Cc1cc(NC(=O)NCCc2ccc3c(c2)OCCO3)n(C)n1 43433370 GUIPQWBOGUSIHV-UHFFFAOYSA-N 316.361 1.864 0 40 DDAB CC(C)(O)C(C)(C)OB(O)c1ccccc1CN1CCCC1 200333663 RYYJHFMAGPZAHQ-UHFFFAOYSA-N 305.227 1.536 0 40 DDAB COC(=O)[C@@H]1CON(Cc2ccccc2)[C@H]1CC1(C)OCCO1 5741787 LAVQAPOQNOBNDN-CABCVRRESA-N 321.373 1.745 0 40 DDAB Cc1cnc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cn1 12544909 HMOLLKBHYKYSTQ-UHFFFAOYSA-N 306.347 1.409 0 40 DDAB CCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 13114170 DHBBRZUKUZWIGB-UHFFFAOYSA-N 311.407 1.533 0 40 DDAB COCCC(=O)N1CCc2nc3sc(C)cc3c(=O)n2CC1 13226782 JYBPZGTVOQNVIC-UHFFFAOYSA-N 321.402 1.188 0 40 DDAB O=c1[nH]c2cc3c(cc2cc1CNCc1cccnc1)OCCO3 13999209 PWBHRHNLCXURGQ-UHFFFAOYSA-N 323.352 1.984 0 40 DDAB Cc1cccc(C)c1OCC(=O)NCCCN1CCOCC1 14291989 LVAOWTMTEHIXTH-UHFFFAOYSA-N 306.406 1.521 0 40 DDAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)NC1CC1 11793963 OYYCWGQPFFXASW-UHFFFAOYSA-N 320.418 1.976 0 40 DDAB C[C@H]1CCc2nn(CCNC(=O)C3CCCC3)c(=O)cc2C1 12232623 FDDJZFUWNNXZDU-LBPRGKRZSA-N 303.406 1.675 0 40 DDAB O=C(Cc1ccc(F)cc1)N[C@H]1CCN(C2CCOCC2)C1 1565520314 NGJIOYHGMKXOEU-HNNXBMFYSA-N 306.381 1.738 0 40 DDAB O=C1C[C@@H](c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CN1 109399 HHMXBZQYBYQZTA-CYBMUJFWSA-N 322.430 1.901 0 40 DDAB CCOC(CNC(=O)C(=O)Nc1cccc(Cl)c1)OCC 4583592 MFISRYQTDIOFFG-UHFFFAOYSA-N 314.769 1.794 0 40 DDAB O=C(NCC1(N2CCOCC2)CCC1)c1ccc2c(c1)OCO2 1775974831 SIWAKSSMBFBZEB-UHFFFAOYSA-N 318.373 1.400 0 40 DDAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COc1ccc(F)cc1 40496404 GHFDSJJCSSFHHW-LLVKDONJSA-N 320.276 1.675 0 40 DDAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(C=O)CC1 20734563 KGQYWPAOLKXSDW-HNNXBMFYSA-N 301.346 1.376 0 40 DDAB CC(=O)N[C@@H](CC(=O)/N=c1/sccn1C)c1ccccc1 101465525 NOTMWAPYYRVMGT-SXXBIRCQSA-N 303.387 1.781 0 40 DDAB CCOC(=O)C1=C(CN2CCc3sccc3C2)NC(=O)NC1 21419135 JOSQUFIVXHCESU-UHFFFAOYSA-N 321.402 1.236 0 40 DDAB CCCOc1ccc(OCC(=O)N2CC[C@@H](C(N)=O)C2)cc1 41128346 YELGELSHDNLDRV-GFCCVEGCSA-N 306.362 1.188 0 40 DDAB CN[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 53203063 YJANUWFZUIYALH-SECBINFHSA-N 306.790 1.852 0 40 DDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 53645902 GHTPODZDNRNLIK-UHFFFAOYSA-N 324.446 1.918 0 40 DDAB Cc1noc(C2CCN(CC(=O)Nc3nccs3)CC2)n1 53640372 DXVKQTAZQBGCHH-UHFFFAOYSA-N 307.379 1.653 0 40 DDAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(C(=O)C2CCCC2)CC1 23057604 ZFMBPMXXGOHADO-ZDUSSCGKSA-N 309.454 1.624 0 40 DDAB NC(=O)[C@@H](NC(=O)c1ccc(-n2cccn2)nc1)c1ccccc1 42697524 NKRKLDFBNQIYIS-HNNXBMFYSA-N 321.340 1.224 0 40 DDAB CNC(=O)CN(C)C(=O)c1cnn(-c2ccccc2C)c1C 47615371 RIMPSUGZOXYEAZ-UHFFFAOYSA-N 300.362 1.307 0 40 DDAB CC(=O)[C@H]1[C@H](c2ccc(C)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 79385 JQYMIOCQKZLHAF-GVXVVHGQSA-N 316.279 1.805 0 40 DDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COc1ccccc1 24209817 FKDFDHLNLGEJPV-LBPRGKRZSA-N 304.346 1.291 0 40 DDAB COC(=O)c1scc(S(=O)(=O)Cc2ccco2)c1N 125449 BFEUYTXRHHEPLN-UHFFFAOYSA-N 301.345 1.684 0 40 DDAB Cc1ccc(S(=O)(=O)Nc2nnc[nH]2)c(Br)c1 61844907 YNSWYOGIOFUGGK-UHFFFAOYSA-N 317.168 1.676 0 40 DDAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cn[nH]n1 47816689 LZOPSHMBNDRYHF-UHFFFAOYSA-N 319.796 1.853 0 40 DDAB CS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1 479247 JUXOAMABCUYRNG-UHFFFAOYSA-N 318.345 1.575 0 40 DDAB O=C1NC(=O)C(Cc2cc(Cl)c3cccnc3c2O)C(=O)N1 1448884 DCDYHCRGZDWKPB-UHFFFAOYSA-N 319.704 1.119 0 40 DDAB Cc1ccc(Cl)cc1NC(=O)C[C@H](NCCO)C(=O)O 4280152 BFZZHNNQGWGQFM-NSHDSACASA-N 300.742 1.012 0 40 DDAB Cc1csc(N2CCCN(C(=O)CCn3cncn3)CC2)n1 56362501 DNDZYALHQAMGFK-UHFFFAOYSA-N 320.422 1.172 0 40 DDAB COc1ccc(CCNC(=O)C(=O)NCc2ccccn2)cc1 4959388 NHYVHORTFNTPKS-UHFFFAOYSA-N 313.357 1.065 0 40 DDAB CCC(=O)Nc1cccc(NCC(=O)N2CCOCC2)c1C 12523519 PTJBCTMIMASVJT-UHFFFAOYSA-N 305.378 1.614 0 40 DDAB Cc1nsc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 107519493 WUJPYLYMEVCTAM-CABCVRRESA-N 316.430 1.936 0 40 DDAB CS(=O)(=O)CCNCc1cc(Cl)c2c(c1)OCCO2 37740696 HAOWGKBEYWKXOU-UHFFFAOYSA-N 305.783 1.245 0 40 DDAB CCCNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57522036 PJHKSYZYQUQZSH-UHFFFAOYSA-N 308.407 1.671 0 40 DDAB C[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H](C)O1 44889027 WMDUWHNGEYUCKS-BETUJISGSA-N 315.373 1.422 0 40 DDAB O=C(CCn1cncn1)Nc1nnc(Cc2ccccc2)s1 58278426 JIENUMWXHOXJPE-UHFFFAOYSA-N 314.374 1.749 0 40 DDAB CN1CCO[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 58289826 OEHHNYGBUREBNF-AWEZNQCLSA-N 308.809 1.818 0 40 DDAB C[C@@H](c1c(F)cccc1F)N1CCN(CC(=O)N(C)C)CC1 58201702 VKTDRUXSVCWQEB-LBPRGKRZSA-N 311.376 1.732 0 40 DDAB COCCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 44946507 GUCYKPKDLZCUGH-CYBMUJFWSA-N 322.409 1.142 0 40 DDAB C[C@@H](C(N)=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58315683 PZORKAFMAAMXIL-JQWIXIFHSA-N 318.352 1.929 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1-n1cnnn1 27904440 RXMUVIYXUOKJTA-FZMZJTMJSA-N 301.350 1.268 0 40 DDAB Cc1cccc(CN2CCN(C(=O)[C@@H](C)n3cncn3)CC2)c1 45197503 XVDYSDWHZBLYSC-OAHLLOKOSA-N 313.405 1.492 0 40 DDAB COCCCn1c(N)c(C(=O)OC)c2nc3ccccc3nc21 2206100 MGUVONSFPKBKSG-UHFFFAOYSA-N 314.345 1.990 0 40 DDAB Cc1ccc2[nH]c(SCc3cc(=O)n(C)c(=O)n3C)nc2c1 11151535 RQELDUQQXOCDHW-UHFFFAOYSA-N 316.386 1.561 0 40 DDAB O=C(CN1CSCC1=O)NCc1cc(-c2ccccc2)on1 89851120 NTVGYXVYLQESIS-UHFFFAOYSA-N 317.370 1.491 0 40 DDAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CC(=O)N(C2CC2)C1 29540978 VKMYYCOGISJYSL-SMDDNHRTSA-N 300.358 1.637 0 40 DDAB Cc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1-n1cnnn1 29524423 VPJXWHYAJNVDEJ-INIZCTEOSA-N 321.340 1.913 0 40 DDAB CCc1nnc(NC(=O)Cn2nnc(-c3ccccc3)n2)s1 105031906 IDQRZFAEOYURKP-UHFFFAOYSA-N 315.362 1.393 0 40 DDAB C[C@H]1CN(S(=O)(=O)Nc2ccc(C(=O)O)cc2)C[C@H](C)O1 37462825 YMTHXYYRKOJVDN-UWVGGRQHSA-N 314.363 1.151 0 40 DDAB COCCOCc1cccc(NC(=O)N2CCC[C@H](O)C2)c1 47590047 BYRXLBOJRSJOSZ-HNNXBMFYSA-N 308.378 1.838 0 40 DDAB COc1ccc(-c2nc3ncc4c(=O)n(C)ccc4n3n2)cc1 12406861 BTVAHUVXJDEIBY-UHFFFAOYSA-N 307.313 1.652 0 40 DDAB CN(C)C1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 48275319 MQMZPMZZOPYVSL-UHFFFAOYSA-N 318.421 1.084 0 40 DDAB COc1cc(C)c(NC(=O)C2=NN(C)C(=O)CC2)cc1OC 13004304 BAMOQLLBVWYHTE-UHFFFAOYSA-N 305.334 1.559 0 40 DDAB Cc1ccccc1NC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O 4223163 WUQKUDDPOSWVHA-ZNMIVQPWSA-N 301.390 1.723 0 40 DDAB CS(=O)(=O)N1CCO[C@H]2CCN(C[C@@H]3CC=CCC3)C[C@@H]21 306123564 AQIFIFHENHMZBS-ILXRZTDVSA-N 314.451 1.077 0 40 DDAB CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2N)CC1 5335988 MYBRXFUWUQBKNU-UHFFFAOYSA-N 321.406 1.603 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2nc(C)nc2-c2ccccc2)CCO1 66081257 AQSJRMUICVGIKR-OAHLLOKOSA-N 314.389 1.891 0 40 DDAB CSc1ncc2c(=O)oc(=O)n(Cc3ccccc3)c2n1 66323262 DZJDHZOCTGDHQL-UHFFFAOYSA-N 301.327 1.515 0 40 DDAB CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(F)c2)C1 66849011 KKQDFIAUULKSFH-RISCZKNCSA-N 323.368 1.433 0 40 DDAB Cn1cc([C@H]2CCCN2CC(=O)NCCc2ccsc2)cn1 71797174 PSQVRLKXWIIFJL-OAHLLOKOSA-N 318.446 1.977 0 40 DDAB Cc1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1N 7062203 YEORICYAEYHTNY-ZDUSSCGKSA-N 317.418 1.756 0 40 DDAB CCO[C@H]1CCCN(C(=O)CCNC(=O)OC(C)(C)C)C1 67521030 SXNALCPSLINSRO-LBPRGKRZSA-N 300.399 1.929 0 40 DDAB COc1ccccc1-c1csc(NC(=O)[C@@H]2CNC(=O)N2)n1 89481881 CQJNLYSKYGVRIE-VIFPVBQESA-N 318.358 1.439 0 40 DDAB CC(C)(C)C(=O)NCC(=O)N1CCN(c2ncccc2F)CC1 90447058 BKAPGAMKJQGSSU-UHFFFAOYSA-N 322.384 1.032 0 40 DDAB CS(=O)(=O)c1ccc(OCCCN2CCC[C@H](O)C2)cc1 71842036 LSROCIZVBDGYHN-ZDUSSCGKSA-N 313.419 1.316 0 40 DDAB COC(=O)c1ccc(C(=O)NC[C@@H](O)Cc2ccccc2)s1 71856892 YSEAKIINFPLFMQ-LBPRGKRZSA-N 319.382 1.868 0 40 DDAB CC[C@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1 71829335 UAIWTUOSEPMYGK-HNNXBMFYSA-N 303.406 1.200 0 40 DDAB O=C(O)c1cc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)cs1 70157749 FGADPOZVRVHMJM-VHSXEESVSA-N 317.388 1.388 0 40 DDAB Cc1nn(CC(C)C)c(Cl)c1CNC[C@@H]1CN(C)CCO1 69416131 WXOYGYZXVFIPPL-CYBMUJFWSA-N 314.861 1.921 0 40 DDAB NS(=O)(=O)c1cnc(N2CCC[C@@H](C(F)(F)F)C2)s1 69462880 SZVBLRXPRJDEIS-ZCFIWIBFSA-N 315.342 1.569 0 40 DDAB O=C(CN[C@@H]1CCCOc2ccc(F)cc21)N1CCOCC1 97035144 XVEUAXVQNOBUEY-CQSZACIVSA-N 308.353 1.488 0 40 DDAB CCc1nc(C)c(C(=O)N2CCn3c(CC)nnc3C2)s1 71185903 BUIRFRRCWLJNNK-UHFFFAOYSA-N 305.407 1.824 0 40 DDAB CC(C)N(CCS(C)(=O)=O)Cc1nc(N)c2ccccc2n1 97083895 XAYGWONUIQIKRW-UHFFFAOYSA-N 322.434 1.467 0 40 DDAB O=C(N[C@H]1CCc2nccn2C1)c1cc2c([nH]c1=O)CCCC2 72273575 QRDGQVLWHMIZOU-LBPRGKRZSA-N 312.373 1.195 0 40 DDAB CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 72235536 PKDVFROGXMCHSL-JKSUJKDBSA-N 319.453 1.933 0 40 DDAB Brc1ccc(N2CCO[C@@H](Cn3cccn3)C2)nc1 95960780 OVCKAZKLVARERL-GFCCVEGCSA-N 323.194 1.946 0 40 DDAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cnns1)C2 97199106 WVIFLGAJCXRVFR-SECBINFHSA-N 305.407 1.777 0 40 DDAB N[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1 95972614 JDTDBEFMSYSAQL-LBPRGKRZSA-N 311.794 1.713 0 40 DDAB Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)n[nH]1 89599124 KGQCONGZJYMFDP-UHFFFAOYSA-N 304.394 1.216 0 40 DDAB COc1ncnc(N(C)C)c1NC(=O)N1C[C@H](C)O[C@@H](C)C1 84705896 QXIRGHDDMKXPSQ-UWVGGRQHSA-N 309.370 1.192 0 40 DDAB Cc1ccc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)s1 95461091 FHSDLPYNADUSNV-SNVBAGLBSA-N 302.421 1.433 0 40 DDAB CCNc1nnc(SCCN2C[C@@H]3CC[C@H](C2)O3)s1 95460219 MDNBTAZBVBBDFT-AOOOYVTPSA-N 300.453 1.925 0 40 DDAB CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 552352328 JLLFNWYRYYLTPE-LBPRGKRZSA-N 315.373 1.170 0 40 DDAB O=C1COC[C@H]([C@H](O)c2ccc(NC(=O)c3ccco3)cc2)N1 67896873 SQWOWKHPPBSWAC-IUODEOHRSA-N 316.313 1.080 0 40 DDAB biogenic,in-vitro C[C@H]1CCC[C@@H](OCC(=O)N[C@@H](C)CCN2CCOCC2)C1 79310536 ABRDHZFHUWCCNY-HRCADAONSA-N 312.454 1.809 0 40 DDAB CS(=O)(=O)N1CCC(c2ccc(Br)cn2)CC1 72363363 GJNZGKORFCEMQV-UHFFFAOYSA-N 319.224 1.983 0 40 DDAB Cc1cc(=O)[nH]c([C@]2(C)CCCN2C(=O)c2cscn2)n1 72388475 KWIJWUQDQHXMMN-AWEZNQCLSA-N 304.375 1.686 0 40 DDAB COCCCn1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)n1 77504205 UPJVVKFFCROIDQ-AWEZNQCLSA-N 321.425 1.622 0 40 DDAB O=C(c1cscn1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 72351207 PJRLYDFHYNKISC-VIFPVBQESA-N 314.374 1.829 0 40 DDAB COc1nn(C)cc1C(=O)NC[C@](O)(c1ccccc1)C1CC1 70966141 NKNXWSYUOPLBCV-KRWDZBQOSA-N 315.373 1.456 0 40 DDAB Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H](C)CO)c1 187580943 VYRJTZRROUXGBI-VIFPVBQESA-N 322.224 1.759 0 40 DDAB CC1(C)CC[C@@H](CN2CCCC[C@@H]2CCNS(C)(=O)=O)O1 184651563 ZVKREUTYFIGZSV-KGLIPLIRSA-N 318.483 1.738 0 40 DDAB CCC[C@@H](C)NC(=O)c1sc(NS(C)(=O)=O)nc1C 225878788 SESLUUFUIXKDHI-SSDOTTSWSA-N 305.425 1.741 0 40 DDAB C[C@@H](C(=O)NCCc1ccccc1)n1nnc2ccccc2c1=O 44449018 FUNCLKAOZGLYKB-ZDUSSCGKSA-N 322.368 1.711 0 40 DDAB COc1ccc(O[C@H]2CCN(C(=O)c3cnoc3C)C2)nn1 225438893 RIJQKXVWFRWQKD-JTQLQIEISA-N 304.306 1.075 0 40 DDAB CCOc1ccc(NC(=O)Cn2ncn(NC=O)c2=S)cc1 41104852 ZOBMAQQRKWFDHZ-UHFFFAOYSA-N 321.362 1.151 0 40 DDAB O=C(CNC(=O)c1cccc(Br)c1)Nc1cc[nH]n1 48798748 ZALNBRRHILAIQK-UHFFFAOYSA-N 323.150 1.541 0 40 DDAB O=C(NC[C@@]1(O)CCOC1)c1cccc(Br)c1 229675781 TZFKZTPFQLVJQB-LBPRGKRZSA-N 300.152 1.330 0 40 DDAB Cc1ccc(OCCCC(=O)NCCCN2CCOCC2)cc1 47465902 CUKUXGCBXDYQHM-UHFFFAOYSA-N 320.433 1.993 0 40 DDAB COCCn1ccc2cc(C(=O)NCCc3c[nH]cn3)ccc21 85878975 JNNAXPCRDXWRSM-UHFFFAOYSA-N 312.373 1.983 0 40 DDAB biogenic CC(C)Cc1noc([C@@H]2CCCCN2C(=O)Cn2cnnn2)n1 40714937 ARIQSAVNSIYBTM-NSHDSACASA-N 319.369 1.008 0 40 DDAB COc1ccc(OC)c(-n2nc(C(C)=O)cc(C(=O)O)c2=O)c1 225966632 XUROHFXANUSORI-UHFFFAOYSA-N 318.285 1.151 0 40 DDAB C1CN(CC2CCOCC2)Cc2c(COCC3CC3)nnn2C1 96058856 XNRKJRLFRWYXRK-UHFFFAOYSA-N 320.437 1.837 0 40 DDAB CCO[C@@H]1C[C@H](O)C12CCN(c1cnnc(O)c1Cl)CC2 95400811 NTAKTTQUWGNVIW-WDEREUQCSA-N 313.785 1.592 0 40 DDAB CCN1CC[C@@]2(C(=O)N3CCCC3)CCN(C(C)=O)CC[C@@H]12 96263647 QFORLSLXMSTLDM-NVXWUHKLSA-N 307.438 1.332 0 40 DDAB Cn1ncnc1CNC(=O)NC[C@@H]1SCCc2ccccc21 96455154 XSABRUWYTKSHAD-ZDUSSCGKSA-N 317.418 1.645 0 40 DDAB CC[C@@H](C)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 96344683 RXVDQQZIIOZRKZ-ZWNOBZJWSA-N 303.362 1.432 0 40 DDAB c1cnc(O[C@@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96222529 KCERBHXTAMKJKU-BBRMVZONSA-N 313.361 1.474 0 40 DDAB CC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 96296344 MPHOOATWAUNXAR-LBPRGKRZSA-N 315.329 1.314 0 40 DDAB biogenic,in-vitro CCn1nc(C)c(S(=O)(=O)N[C@@H]2COc3ccccc32)c1C 96427838 FZVXSNTXGPBKEA-CYBMUJFWSA-N 321.402 1.932 0 40 DDAB Cc1nc(Cn2c3c(ccc2=O)C[C@H](NC(N)=O)CC3)cs1 96260668 RWPDNXARDYHFGC-LLVKDONJSA-N 318.402 1.187 0 40 DDAB O=C1CC[C@@H](C(=O)N2CCS[C@H](c3ccccc3)C2)CN1 96409959 YKFIPVCNWMUQDT-KGLIPLIRSA-N 304.415 1.829 0 40 DDAB CC(C)(C)c1cc(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)[nH]n1 257291546 QHMHBQZHERXJBF-QGZVFWFLSA-N 320.437 1.380 0 40 DDAB O=C(c1noc2c1CCCC2)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257213874 CJKPVVULOYBSGD-BBRMVZONSA-N 306.362 1.309 0 40 DDAB Cn1nc(-c2ccccc2NC(=O)c2cc(O)ncn2)ccc1=O 252511265 ZVOOEHHYEBEXCC-UHFFFAOYSA-N 323.312 1.195 0 40 DDAB O=C(Nc1nccs1)[C@H]1CN(c2ccc(F)cc2)CCN1 257211953 CBFOWILDPSNOLO-GFCCVEGCSA-N 306.366 1.699 0 40 DDAB C[C@@H]1CC[C@H](CO)CN1C/C=C/CN1C[C@@H](CO)CC[C@H]1C 252486325 ILXKADWHYPCQNI-MAXJFLJGSA-N 310.482 1.728 0 40 DDAB O=C(O)C[C@@H]1COCCN1C(=O)c1cncc2ccccc12 263240455 CCVVITXNINUSHH-GFCCVEGCSA-N 300.314 1.551 0 40 DDAB O=S(=O)(NCc1nccnc1-c1ccco1)c1cccnc1 390831167 QFIRPOUVTZVCQL-UHFFFAOYSA-N 316.342 1.610 0 40 DDAB CN(C)c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)nn1 65536722 JREDZTLRIZLAPD-UHFFFAOYSA-N 322.372 1.658 0 40 DDAB COC(=O)CNc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 65564039 MDHGLRSXEMSFON-LBPRGKRZSA-N 306.362 1.116 0 40 DDAB CCOCc1nnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@H](C)C2 585097944 POVPOZFLNLUQCD-NEPJUHHUSA-N 324.450 1.483 0 40 DDAB O=C(N1CCc2ncnc(N3CCCC3)c2CC1)C1(F)CCC1 585110514 WJTZHUPCLYIODG-UHFFFAOYSA-N 318.396 1.896 0 40 DDAB Cc1nc(-c2ccccn2)nc(NCCS(C)(=O)=O)c1C 68669324 VJZUVVAAFAULRW-UHFFFAOYSA-N 306.391 1.612 0 40 DDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)nn1 1065947141 JQPNXTRIXDRJGR-BETUJISGSA-N 313.361 1.290 0 40 DDAB Cc1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)sc1C 91044345 PQQXATIBEKCKEX-JTQLQIEISA-N 312.420 1.770 0 40 DDAB C[C@H](C(=O)N1CCO[C@@H](CCc2ccccc2)C1)n1cncn1 97111845 CLZZHTOWCUQOGA-ZBFHGGJFSA-N 314.389 1.699 0 40 DDAB O=C(O)[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(Cl)c2F)C1 92181466 IRIDDDONDIFMKH-HTQZYQBOSA-N 319.741 1.787 0 40 DDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3F)nc21 12114167 HJAKQIFTXVHVAU-UHFFFAOYSA-N 315.308 1.435 0 40 DDAB COc1ccc(OC)c([C@@H](C)NC[C@@H](O)CN2CCOCC2)c1 12569643 LAWLCHLREIVSPN-ZIAGYGMSSA-N 324.421 1.048 0 40 DDAB COc1ccccc1NC(=O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O 13769678 VLOFYTGPIZMFDG-MBNYWOFBSA-N 317.389 1.423 0 40 DDAB CNc1cc(CNC(=O)c2ccccn2)nc(-c2ccncc2)n1 19592340 ZEESNFMFHOJTIF-UHFFFAOYSA-N 320.356 1.905 0 40 DDAB NCc1ccc([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(N)=O)cc1 19698709 PXFDSPDZAGTOFM-CVEARBPZSA-N 315.417 1.363 0 40 DDAB Cc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)O)C2=O)c(C)c1 19765583 QXYDEVOURBANIZ-CMPLNLGQSA-N 322.386 1.080 0 40 DDAB Cc1noc(C)c1CC(=O)NCC1CCN(C(=O)N(C)C)CC1 390831433 RVBQFDAWAXOVLB-UHFFFAOYSA-N 322.409 1.344 0 40 DDAB C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(N)=O 19161512 TYHRBBNLOKIGFT-ZETCQYMHSA-N 312.709 1.055 0 40 DDAB Cc1noc(C)c1CC(=O)N1CCN(C[C@@H]2CCCO2)CC1 23623829 SPHZQDGHYKPNEW-AWEZNQCLSA-N 307.394 1.157 0 40 DDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)n1 1888835061 LJUUGUHCKSRFFN-GJZGRUSLSA-N 316.405 1.106 0 40 DDAB CN(C)C(=O)CN1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 2037658292 JTLNJEJLEAPYJW-OAHLLOKOSA-N 315.417 1.747 0 40 DDAB CN1C[C@]2(CCN(C(=O)Cc3ccccc3F)C2)COCC1=O 2037985381 IBQMNMXTFSQZQX-KRWDZBQOSA-N 320.364 1.076 0 40 DDAB CCc1nc(C)c(CN2CC3(C[C@H](NCCOC)CS3)C2)[nH]1 2056223718 BTNDXATVBMTKPX-ZDUSSCGKSA-N 324.494 1.576 0 40 DDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1cc[nH]c1 1565550286 XQYUGFSEPSJFLI-HNNXBMFYSA-N 311.385 1.874 0 40 DDAB Cn1c(=O)c2c(SCc3ccccn3)ccnc2n(C)c1=O 4331263 XYEDQVJFEPQKJD-UHFFFAOYSA-N 314.370 1.320 0 40 DDAB COCCCNC(=O)C(=O)Nc1cc(C)nc2ccccc12 10327194 GFPWRSMECKXVED-UHFFFAOYSA-N 301.346 1.634 0 40 DDAB COCc1csc(NC(=O)N2CCN(CC(F)F)CC2)n1 96435560 JBHRYVSOXQLELM-UHFFFAOYSA-N 320.365 1.704 0 40 DDAB CNS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)o1 31483913 KSQPMNAVRUUQPS-UHFFFAOYSA-N 300.380 1.640 0 40 DDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(OC)c1)C(=O)N2 31815605 VIGMKCVMCDECLO-NSHDSACASA-N 315.333 1.371 0 40 DDAB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1C(=O)Nc1nncs1 101775406 ZBERXOXNVUFULE-NSHDSACASA-N 315.358 1.511 0 40 DDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2nccnc2c1 32978558 VIYATLRBKZFGGU-UHFFFAOYSA-N 317.312 1.858 0 40 DDAB O=C(O)CSC[C@H]1NC(=S)N(Cc2ccccc2)C1=O 174767 PBYDWVDWQXEJAI-SNVBAGLBSA-N 310.400 1.090 0 40 DDAB CC(C)C[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1570255 BQVUABVGYYSDCJ-UKRRQHHQSA-N 317.389 1.653 0 40 DDAB endogenous,in-man CC(=O)Nc1cccc(N(CCOC(C)=O)CCOC(C)=O)c1 2243595 QHMJTMSGRAGQMU-UHFFFAOYSA-N 322.361 1.578 0 40 DDAB CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 25046866 GUWAFZYLIZAMSI-NXEZZACHSA-N 302.330 1.807 0 40 DDAB OCCN(CCO)c1ncc(-c2nc3ccccc3o2)cn1 3174182 JWVFDWBIGBXPTR-UHFFFAOYSA-N 300.318 1.076 0 40 DDAB O[C@@H](COc1ccc(F)cc1)CN1CCC[C@@H]1Cn1cccn1 106843412 DZNXCXDYAZFUKY-HZPDHXFCSA-N 319.380 1.927 0 40 DDAB COC[C@@H](C)S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C 106918315 KPJVDYWOWSZUHV-DGCLKSJQSA-N 301.412 1.021 0 40 DDAB COCCNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 4568846 IOOWDQODHKSKCE-UHFFFAOYSA-N 317.374 1.361 0 40 DDAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 55978090 FTTWKXUFHSICLL-CQSZACIVSA-N 302.374 1.813 0 40 DDAB COC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 35355158 NPXFGRHNQHVJPU-UHFFFAOYSA-N 311.769 1.345 0 40 DDAB CCOC(=O)c1c(S(=O)(=O)N2CCCC2)nn(CC)c1C 57478196 OWQVQMCDHMKKQR-UHFFFAOYSA-N 315.395 1.173 0 40 DDAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 27793819 UPXRHPYHCRZMIK-CMPLNLGQSA-N 315.366 1.286 0 40 DDAB COc1cc(C(=O)N[C@@H](C)c2nc(C)no2)cc(OC)c1OC 58264294 ADAZCQMAMSFVNN-QMMMGPOBSA-N 321.333 1.895 0 40 DDAB CCOc1cccc2c1OCC(C(=O)N(CC)CC(=O)NC)=C2 44940040 RRWKJLONHOJVHN-UHFFFAOYSA-N 318.373 1.456 0 40 DDAB COc1ccc(C2=CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)cc1 44955400 PDORVRHFMJWACY-GFCCVEGCSA-N 323.414 1.744 0 40 DDAB O=C(CNC(=O)OCc1ccccc1)NCC[C@@H]1CCCO1 58354864 WWLUNUSNUYPNSC-AWEZNQCLSA-N 306.362 1.598 0 40 DDAB CCN(C)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 58393128 UIILQWIGVUPKML-UHFFFAOYSA-N 319.405 1.121 0 40 DDAB CN(CC(=O)NC1CC1)Cc1cc(=O)n2cc(Cl)ccc2n1 28726690 WSOUZONUSLKKTC-UHFFFAOYSA-N 320.780 1.058 0 40 DDAB COc1cc(CNC(=O)N[C@H]2COc3ccccc3C2)ccn1 45521663 JIJLREJYDNAWRJ-CQSZACIVSA-N 313.357 1.893 0 40 DDAB Cc1ccc(-c2ccc(=O)n(Cc3nnc(S)o3)n2)cc1 61966032 NELPGSFXDQMRDH-UHFFFAOYSA-N 300.343 1.939 0 40 DDAB CCn1cc(NC(=O)c2cnn3c(C)cc(C)nc23)ccc1=O 47230428 UJCJUHPBFNCTPW-UHFFFAOYSA-N 311.345 1.780 0 40 DDAB Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)NC(=O)N(C)C1=O 12409947 YKUSAFKFQSEEMX-LBPRGKRZSA-N 315.251 1.165 0 40 DDAB O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CCCO1 48234198 BXQQQGRMUIXCSQ-SNVBAGLBSA-N 304.268 1.818 0 40 DDAB CCOCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 12700898 INZOPLCAVVVBMI-UHFFFAOYSA-N 300.380 1.220 0 40 DDAB CNC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3371454 OLUMGCXWEVMMGZ-UHFFFAOYSA-N 305.117 1.606 0 40 DDAB Cc1cc2nc(N(C)Cc3ccc4c(c3)OCO4)cc(=O)n2o1 48345639 MVSJQILVLVXKIC-UHFFFAOYSA-N 313.313 1.961 0 40 DDAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)CC)cc1 408700592 ILNJETYSZFNVPY-UHFFFAOYSA-N 314.407 1.605 0 40 DDAB CNC(=O)N(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12907636 AJIKHPJPZCOECY-UHFFFAOYSA-N 323.356 1.891 0 40 DDAB COc1ccccc1C(=O)Nc1cccc(S(N)(=O)=O)c1 13095647 LDFZCBHZIUVNBK-UHFFFAOYSA-N 306.343 1.595 0 40 DDAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 13260841 FCCXZBMVPHRHCG-GFCCVEGCSA-N 305.330 1.785 0 40 DDAB CNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 13252360 MHWCFCIGKOYFER-QWHCGFSZSA-N 302.330 1.652 0 40 DDAB CCC(CC)CS(=O)(=O)N[C@H]1CCc2nnc(C)n2C1 96000636 KWXPEALRUUMKDK-LBPRGKRZSA-N 300.428 1.257 0 40 DDAB O=C(Cc1csc(Cc2ccccn2)n1)NC[C@H]1CCCO1 65407820 LUVVLDSAODDEGW-CQSZACIVSA-N 317.414 1.967 0 40 DDAB O=C(Cc1ccccc1)NCC(=O)N[C@H]1CCOc2ccccc21 14160377 IHFVNDVSCVHSMB-INIZCTEOSA-N 324.380 1.985 0 40 DDAB COc1ccc(N2C(=O)C[C@@H](Sc3ncn[nH]3)C2=O)cc1 5729790 DWMVGNREZWVDIZ-SNVBAGLBSA-N 304.331 1.238 0 40 DDAB Cc1cnc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cn1 306137512 QYOIEYPJGOBSNG-LSDHHAIUSA-N 323.356 1.200 0 40 DDAB C[C@H](OC[C@H](O)CNCCOCCO)c1ccc(Cl)cc1 6936423 JSVCAZLHEZKVLX-SWLSCSKDSA-N 317.813 1.377 0 40 DDAB COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)o1 4943098 ARIZBNUVVWCZPW-UHFFFAOYSA-N 324.358 1.943 0 40 DDAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccccn1 9421340 AFOBDOMRNRPAHB-SECBINFHSA-N 314.374 1.545 0 40 DDAB CC(=O)NC[C@@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1 68763850 XNWCXNNZJJLAAM-ZDUSSCGKSA-N 315.377 1.026 0 40 DDAB C[C@H](CC(=O)NCCCN(C)S(C)(=O)=O)C1CCCCC1 69492505 SBQSNJSUNACPMZ-CYBMUJFWSA-N 318.483 1.991 0 40 DDAB CCc1nnc2n1CCN(C(=O)[C@@H](OC)c1ccccc1)C2 69598274 XQASQIAPCMVOQS-HNNXBMFYSA-N 300.362 1.570 0 40 DDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCCC(N)=O 69537868 MWWLATGXBBOHRC-VIFPVBQESA-N 318.295 1.854 0 40 DDAB Cc1cnn(C2CN(CCS(=O)(=O)c3ccccc3)C2)c1 69600206 ABBRLFDJAIBSEW-UHFFFAOYSA-N 305.403 1.522 0 40 DDAB Cc1nc(CN2CCCN(C(=O)[C@H]3CCOC3)CC2)cs1 69655778 KOCSQKNREHOOOX-ZDUSSCGKSA-N 309.435 1.522 0 40 DDAB O=c1cc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccn12 69662655 JBHNFTPPZNNTSP-CQSZACIVSA-N 324.388 1.198 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 69706545 JNUHRMZJPYUMQN-NSHDSACASA-N 316.336 1.349 0 40 DDAB c1cnnc(N2CCC[C@@H](NCc3noc(C4CC4)n3)C2)c1 69738904 IZXVDOSQJBBCHA-GFCCVEGCSA-N 300.366 1.496 0 40 DDAB Cc1nnc2n1CCN(C(=O)CCOc1cccc(F)c1)C2 69902379 FAMLNRHRHVDYQX-UHFFFAOYSA-N 304.325 1.537 0 40 DDAB Cc1ccc(-n2cc(S(=O)(=O)NC[C@@H]3CCCO3)cn2)cc1 69948090 YCCVQVMQBUYDJQ-AWEZNQCLSA-N 321.402 1.638 0 40 DDAB NC(=O)[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 69977759 CYYBCPNJOULFPH-SJLPKXTDSA-N 323.396 1.604 0 40 DDAB Cc1ccc(C)c(CC(=O)NCCCN2CCN(C)CC2)c1 20481163 DRNLEXCUHBDQON-UHFFFAOYSA-N 303.450 1.600 0 40 DDAB CCc1ncc(CN(C)C(=O)CSc2nc(C)n[nH]2)s1 73498642 UOJSGRKTDHKIHK-UHFFFAOYSA-N 311.436 1.883 0 40 DDAB CCN1CCCC[C@H]1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 72235537 PKDVFROGXMCHSL-HOTGVXAUSA-N 319.453 1.933 0 40 DDAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C)C2)n1 72273808 NAROMKJAOKOAMS-VXGBXAGGSA-N 307.419 1.983 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(N)=O)cs3)C2)no1 72232273 BWJSJPPRQFRJCG-SECBINFHSA-N 320.374 1.558 0 40 DDAB CN(C)c1nccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)n1 72296678 PDNDOLVMLRRICX-UHFFFAOYSA-N 313.361 1.362 0 40 DDAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2 88362793 BNSVGCONNQEKMD-NEPJUHHUSA-N 305.378 1.750 0 40 DDAB Cc1cc(C)nc(NC(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 97143020 IRXIGNQHTJJGET-CQSZACIVSA-N 316.409 1.856 0 40 DDAB Nc1ccnc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 84549733 FBWSYORDOGMQJY-ZDUSSCGKSA-N 311.389 1.910 0 40 DDAB Cc1cc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)on1 22255322 OXEGWYGSGRJPTC-QGZVFWFLSA-N 301.390 1.834 0 40 DDAB Cc1ccccc1CS(=O)(=O)NC[C@@](C)(O)c1cnn(C)c1 95433194 VIMIXGMZVXYKPT-OAHLLOKOSA-N 323.418 1.056 0 40 DDAB O=C(NCCOC(=O)c1ccn2cncc2c1)c1cccnc1 95455081 CULAHVRLEUWZGN-UHFFFAOYSA-N 310.313 1.316 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1c1ncnc2cc(F)c(F)cc12 95961957 CFQUCUIYVVGPTJ-BDAKNGLRSA-N 306.316 1.998 0 40 DDAB CN1CCN(C2CCN(Cc3nc(C4CC4)no3)CC2)C1=O 75131534 WNELZHBFNTXOBJ-UHFFFAOYSA-N 305.382 1.279 0 40 DDAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c1 75130470 XHDFPNKWBCPUPF-CQSZACIVSA-N 301.394 1.906 0 40 DDAB Cc1cc2cc(C(=O)N3CCO[C@](C)(C(N)=O)C3)ccc2o1 72379766 IIHDWHOQYDJYRG-INIZCTEOSA-N 302.330 1.458 0 40 DDAB CS(=O)(=O)C1(C(N)=S)CCN(Cc2ccccc2)CC1 217928427 SJTUOMVJPJBXRV-UHFFFAOYSA-N 312.460 1.352 0 40 DDAB Cc1ccc(C(=O)N2CCO[C@@H](c3cc(N)nc(C)n3)C2)nc1 72387838 NEWUCTHXOPKWBY-CQSZACIVSA-N 313.361 1.284 0 40 DDAB C[C@H]1C(=O)N(CCOCC(F)(F)C(F)(F)F)C(=O)[C@@H]1C 189306745 TXLPCEVJNHKGGO-RNFRBKRXSA-N 303.227 1.842 0 40 DDAB O=C1N(C2CCCCC2)C[C@H]2CN(C3CCOCC3)CCN12 77266879 WQKRJTJLSNTWFV-MRXNPFEDSA-N 307.438 1.920 0 40 DDAB biogenic,in-vitro COC[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218405332 VVRYEZUZMBECOL-MDZLAQPJSA-N 318.778 1.568 0 40 DDAB CO[C@H](C)c1cccc(NC(=O)NC[C@H]2CN(C)CCN2C)c1 77441802 GIJWEXYUNJAFKF-CJNGLKHVSA-N 320.437 1.761 0 40 DDAB Cc1cc(-c2nn3c(CN4CCCCC4)nnc3s2)n[nH]1 71260535 BMZHKFUKEAROJM-UHFFFAOYSA-N 303.395 1.870 0 40 DDAB CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CN 79409433 XBCZCPFWDWBVTK-CHWSQXEVSA-N 311.426 1.772 0 40 DDAB Cc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72364509 WWPGGZASFPCCRJ-UHFFFAOYSA-N 320.418 1.692 0 40 DDAB Cc1nc(C)c(C)c(N[C@H]2CCN(C(=O)C3CCOCC3)C2)n1 1058822908 LZHCHDHFVOKPKX-HNNXBMFYSA-N 318.421 1.841 0 40 DDAB NCC(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392818 QCNYPKOTADMOIS-CQSZACIVSA-N 305.378 1.110 0 40 DDAB CCN1CCN(C(=O)c2sccc2-n2ccnn2)[C@@H](C)C1 565348500 MSMZNJXCUFROBH-NSHDSACASA-N 305.407 1.495 0 40 DDAB Cc1cn[nH]c1[C@]1(C)CCCN(S(=O)(=O)c2cnn(C)c2)C1 72388853 UMRHSPDGKXCTPR-CQSZACIVSA-N 323.422 1.194 0 40 DDAB CCc1noc([C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)n1 41122287 CCJUGSNMMLLKFY-ZDUSSCGKSA-N 317.393 1.852 0 40 DDAB O=C1CCC[C@H](C(=O)Nc2ccc(-c3nncs3)cc2)N1 563393990 ZOWJRFXNARKWMH-LLVKDONJSA-N 302.359 1.812 0 40 DDAB CN1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 82311166 ABQRJCSOIFITCQ-QGZVFWFLSA-N 301.434 1.673 0 40 DDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCCN(C)C)C1 222284256 YMJPXLJAFULGQM-MRXNPFEDSA-N 305.378 1.256 0 40 DDAB COCC[C@@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 81026303 LNPNWUFRYPJUIJ-GFCCVEGCSA-N 303.362 1.629 0 40 DDAB CCOC(=O)Cn1nc(-c2ccncc2)nc1-c1ccncc1 40174385 CIIPBOHKCNOMSR-UHFFFAOYSA-N 309.329 1.965 0 40 DDAB CCOc1ncccc1C(=O)N1CCN(CC(F)(F)F)CC1 336966892 LDLLOZLUDACRMO-UHFFFAOYSA-N 317.311 1.800 0 40 DDAB CCS(=O)(=O)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96077369 ZLGLKKGREGVEHS-OAHLLOKOSA-N 308.403 1.465 0 40 DDAB CC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 96404597 WENOHAYUYPMAPN-OAHLLOKOSA-N 322.453 1.313 0 40 DDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)C1CCC1 96108428 JNDZGSYPUFXAFP-AEFFLSMTSA-N 315.417 1.446 0 40 DDAB CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccccn3)C2)O1 96160182 IWXKGMUKUPLKFK-IRXDYDNUSA-N 305.422 1.393 0 40 DDAB Cc1cnc(N2C[C@H]3C(=O)N(c4cnn(C)c4)CC[C@H]3C2)nc1 96082133 GUFINAYCCXZSOK-GXTWGEPZSA-N 312.377 1.008 0 40 DDAB O=C(NCC[C@@H]1CCCO1)N1C[C@H]2CN3CCCC[C@H]3[C@H]2C1 96421456 VSIHOIRCGNTOAP-UGUYLWEFSA-N 307.438 1.681 0 40 DDAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1cnn(C)c1 96062038 PDDUZPWQIPFSOF-CYBMUJFWSA-N 311.393 1.438 0 40 DDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(CCC(C)C)CC2 96260322 PMXSKBLJLZKHAV-UHFFFAOYSA-N 318.465 1.954 0 40 DDAB O=S(=O)(c1cccs1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200448 YRSCRWCXCXISJR-STQMWFEESA-N 324.427 1.510 0 40 DDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@H](C)C(F)(F)F 249192559 POXJWNIKICOQQG-OUAUKWLOSA-N 316.389 1.977 0 40 DDAB CN(C)C(=O)[C@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 247958941 DSNTXMHWJRZDTD-LBPRGKRZSA-N 304.419 1.669 0 40 DDAB O=C1CCCN1CC[C@@H]1CCOC12CN(Cc1ccncc1)C2 248010992 VOZHRRUZNSAFDU-MRXNPFEDSA-N 315.417 1.685 0 40 DDAB CNC(=O)[C@@H]1CN(Cc2cccc(Cl)c2)CCN(C(C)=O)C1 257266122 MBRKCFLGQWUJLD-CQSZACIVSA-N 323.824 1.366 0 40 DDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cn2cccn2)C1 257225535 FGQGMHIBQAZDCM-ZDUSSCGKSA-N 314.393 1.196 0 40 DDAB C[C@]1(CNC(=O)c2cnc(C3CCNCC3)cn2)CCCO1 257203643 AQZIXXYEFLHSPK-MRXNPFEDSA-N 304.394 1.243 0 40 DDAB COc1ncc(CN2CCO[C@H](c3cccc(N)n3)C2)cn1 257242701 IDSUANNQHMXYHD-ZDUSSCGKSA-N 301.350 1.036 0 40 DDAB COCCOc1cc(C(=O)NCCn2nc(C)cc2C)ccn1 253400638 LMOZHXIMBOGNFM-UHFFFAOYSA-N 318.377 1.350 0 40 DDAB C[C@@H]1Oc2cc(S(=O)(=O)NC3CCCC3)ccc2NC1=O 252489955 KGBFTDUWXZKLNX-VIFPVBQESA-N 310.375 1.627 0 40 DDAB C[C@H]1CN(CCNCc2c[nH]nc2-c2cccnc2)C[C@H](C)O1 65473307 JAFLZPDOQFYJKL-KBPBESRZSA-N 315.421 1.671 0 40 DDAB Cc1ccccc1OCC(=O)NCc1cn(-c2ccncc2)nn1 390828951 CISONCCSFCHOPL-UHFFFAOYSA-N 323.356 1.666 0 40 DDAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1c1ccncn1 585182037 QTOQMMMWQQYIOS-SNVBAGLBSA-N 307.379 1.335 0 40 DDAB Cc1cc(C[S@](=O)CC(=O)N2CCc3ccccc3C2)on1 71859049 ZADKAPKALHTDET-JOCHJYFZSA-N 318.398 1.817 0 40 DDAB O=S(=O)(NC[C@@H]1CCOC1)c1ccc2c(c1)OCCCO2 45743381 UHUBRWDICKGLBR-NSHDSACASA-N 313.375 1.163 0 40 DDAB O=C(NCc1ccco1)C1CCN(CC[C@@H]2CCOC2=O)CC1 75109019 RTVRTWRVBKMRMC-CQSZACIVSA-N 320.389 1.561 0 40 DDAB CCCn1nc(C(=O)NC[C@H](c2ccco2)N(C)C)ccc1=O 40459528 BAZWPSGPDQOWOY-CYBMUJFWSA-N 318.377 1.279 0 40 DDAB CS[C@H](CO)[C@@H](C)NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 89598342 PIPRBSUOLTUNTP-ZXIHIIQKSA-N 323.414 1.387 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)c(Cl)c1 92181606 NJAXTKUXSNTPJT-NXEZZACHSA-N 315.778 1.956 0 40 DDAB COc1cc(/C=C2\N=C(S)N(C)C2=O)cc(OC)c1OC 5674982 XQNOSUZHFMDCIZ-UITAMQMPSA-N 308.359 1.811 0 40 DDAB CNc1snc(C)c1C(=O)OCC(=O)Nc1cc(C)nn1C 11375771 WBHSINJWHKSOPK-UHFFFAOYSA-N 323.378 1.331 0 40 DDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CN4CCC3CC4)[nH]n2)o1 12146544 RNNAHEDTHJZSPP-AWEZNQCLSA-N 300.362 1.802 0 40 DDAB C[C@H](C(=O)N[C@@](C)(CO)C1CCCCC1)N1CCSCC1 153060094 QQHWCOIFNDHVMW-CJNGLKHVSA-N 314.495 1.871 0 40 DDAB CSc1ccc([C@H](O)CNC(=O)NC2CCOCC2)cc1 225558958 NOOBLHVOLAKIEC-CQSZACIVSA-N 310.419 1.920 0 40 DDAB O=C(CN1CCCCC1)Nc1ccccc1N1CCOCC1 3327087 QWILHMALBQVPET-UHFFFAOYSA-N 303.406 1.948 0 40 DDAB CCOCCCNS(=O)(=O)CCn1cnc2ccccc21 10237766 SVWNAAJTAQKMBW-UHFFFAOYSA-N 311.407 1.382 0 40 DDAB CN([C@@H]1CCN(c2ncc(Cl)cn2)C1)S(=O)(=O)C1CC1 1888844238 IDRBRFKBJWNPDS-SNVBAGLBSA-N 316.814 1.133 0 40 DDAB O=C(NCC1(N2CCSCC2)CCOCC1)c1ccoc1 1888882261 MJEZITATFBCUIZ-UHFFFAOYSA-N 310.419 1.607 0 40 DDAB Cc1nsc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889096026 HZOBXYKEAVYHMB-LLVKDONJSA-N 312.464 1.638 0 40 DDAB CCN1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 22030309 KDBLSYDPJYQVRX-OAHLLOKOSA-N 312.841 1.855 0 40 DDAB O=C(c1ccns1)N1CC2(C[C@@H](N3CCCC3)CS2)C1 2056224822 XOXIGVIWPNFTLD-LLVKDONJSA-N 309.460 1.939 0 40 DDAB CCCn1c(Br)nc2c1c(=O)n(CC)c(=O)n2C 16839488 DGORECHRASCFLO-UHFFFAOYSA-N 315.171 1.089 0 40 DDAB Cc1ccccc1[C@@H](C)NC(=O)Cn1nnc2ccccc2c1=O 17964131 ZKALVEIABNRJPU-CYBMUJFWSA-N 322.368 1.977 0 40 DDAB Cc1ccc2c(c1)[C@]1(CCN(C(=O)c3cccc(=O)n3C)C1)CO2 2055793337 QNMPVAIXQITDNL-IBGZPJMESA-N 324.380 1.870 0 40 DDAB COCC(=O)N1CCC[C@@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751170 OVRCHBSHJSCDKZ-KRWDZBQOSA-N 319.405 1.194 0 40 DDAB O=C(NC1CCC1)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713597 MGOWMOOMMGSYHC-LBPRGKRZSA-N 316.405 1.350 0 40 DDAB CC1CCN(CCn2c(S)nc3ncccc3c2=O)CC1 20618241 UOEHPDWUSDAZQK-UHFFFAOYSA-N 304.419 1.812 0 40 DDAB CO[C@@H](CCSC)CNS(=O)(=O)c1c(C)nn(C)c1C 1775967844 DRIWADPDOJTMAM-NSHDSACASA-N 321.468 1.083 0 40 DDAB Cc1cnc(C(=O)N[C@@H]2CCc3c(cnc4cc(C)nn34)C2)cn1 618256714 LKKVVULQXUBFKY-CYBMUJFWSA-N 322.372 1.423 0 40 DDAB NC(=O)CCCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 40523737 PJYYEUBQNUHDQB-UHFFFAOYSA-N 312.753 1.497 0 40 DDAB C[C@H](Cl)C(=O)N1CCN(C(=O)CCOc2ccccc2)CC1 20181428 KSZRPSPLJSBFID-ZDUSSCGKSA-N 324.808 1.754 0 40 DDAB C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(Cl)cc1Cl 20434562 HXBKCNXDYVNFRI-VMAXQDLPSA-N 303.189 1.893 0 40 DDAB Cc1cc(NC(=O)CN2C(=O)CCOc3ccccc32)n(C)n1 40512250 QBDMHLGMZBPOFQ-UHFFFAOYSA-N 314.345 1.483 0 40 DDAB CCN1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 41184222 RQTLZSSZEQQZGJ-UHFFFAOYSA-N 314.389 1.833 0 40 DDAB COc1ccc(CCNC(=O)CCCNC(=O)C2CC2)cc1 32914143 AWJFDVFMTOSMRA-UHFFFAOYSA-N 304.390 1.660 0 40 DDAB Cn1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1 22190509 RDXIFJNTHARQIY-UHFFFAOYSA-N 316.405 1.691 0 40 DDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1cccnc1 42309939 KASISNKBZLAOHJ-OAHLLOKOSA-N 322.434 1.411 0 40 DDAB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C 24926923 OUYBDEBPOICVBM-AWEZNQCLSA-N 318.329 1.373 0 40 DDAB O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCO[C@H](CO)C1 78586800 DROXODDRZKBOJL-ZDUSSCGKSA-N 319.336 1.841 0 40 DDAB CCc1ccc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900220 FXVYLUNELLARCQ-JTQLQIEISA-N 316.361 1.684 0 40 DDAB CC[C@H](C)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 79189738 WGLGMUCYAXOXIY-NSHDSACASA-N 315.373 1.636 0 40 DDAB biogenic O=C(c1ccncc1)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108057094 FSIPZHQTERDAKY-BPUTZDHNSA-N 313.401 1.802 0 40 DDAB C[C@@H](NC(=S)NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 44219970 YKAUDFQQWMOCDS-ZWNOBZJWSA-N 319.430 1.885 0 40 DDAB CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCN(C3CC3)C2)c1 57554809 CJEUNJILJRZSIE-LBPRGKRZSA-N 305.353 1.751 0 40 DDAB COC(=O)CCCN(C)C(=O)Cc1ccc(-n2cccn2)cc1 58063021 JEYQUQFMZGXAJS-UHFFFAOYSA-N 315.373 1.826 0 40 DDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC2CC2)C1=O 58184570 CPISOCFQYVEQHG-MRXNPFEDSA-N 319.336 1.119 0 40 DDAB COc1cc(C=O)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 3226969 KCWFKIVAGMGATB-RYUDHWBXSA-N 307.346 1.522 0 40 DDAB O=C(NCCN1CCOCC1)N[C@@H]1CCSc2ccccc21 44909772 UCRRYBVMFNDEPR-CQSZACIVSA-N 321.446 1.855 0 40 DDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CCC2 44917631 KORRFAJGCHVZAO-LBPRGKRZSA-N 305.403 1.739 0 40 DDAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H](C(N)=O)c1ccccc1 45340676 OAZHDWJOALHTLH-IAQYHMDHSA-N 316.332 1.936 0 40 DDAB CCCCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C 12647531 QIGZNVYGVUYTBH-UHFFFAOYSA-N 324.406 1.295 0 40 DDAB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCOCC2)c(OC)c1 28632909 SXGWDFRESSFAHR-LLVKDONJSA-N 323.345 1.108 0 40 DDAB CCOC(=O)CN(CCOC)C(=O)c1cnc2ccccc2n1 60724320 YQXBPVLRIRBVBA-UHFFFAOYSA-N 317.345 1.282 0 40 DDAB Cc1ccc(CNC(=O)c2snc(C(=O)NC(C)C)c2N)o1 62006822 AJWKFCOGSJFQDY-UHFFFAOYSA-N 322.390 1.695 0 40 DDAB CCc1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)cc1 20028252 QJEBGBRLHQHDRD-JTQLQIEISA-N 319.390 1.059 0 40 DDAB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NCCC1=CCCCC1 12815082 AKYJWYOQDMFZSE-JTQLQIEISA-N 322.434 1.839 0 40 DDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)nn1 5026068 VFVIVSGAUXHAII-UHFFFAOYSA-N 308.725 1.747 0 40 DDAB Cc1nc(CN(C)C(=O)CCNC(=O)OCC(F)(F)F)no1 95465592 KWRUVCZWNVTOSF-UHFFFAOYSA-N 324.259 1.015 0 40 DDAB CC(C)COc1ccc(C(=O)N(CC(N)=O)C2CCCC2)cn1 65478296 AGRAXLIFMFIJDD-UHFFFAOYSA-N 319.405 1.987 0 40 DDAB Cc1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)no1 14075118 MOPAQVMWFBRWPL-UHFFFAOYSA-N 321.402 1.490 0 40 DDAB CC(C)c1ncncc1C(=O)NCCNC(=O)OC(C)(C)C 65533667 XHBQIGJGVBRXLT-UHFFFAOYSA-N 308.382 1.855 0 40 DDAB O=C([C@@H](O)c1ccccc1)N1CCC[C@@H](Oc2cnccn2)C1 225473299 PXPUKYTUTYCUCX-ZBFHGGJFSA-N 313.357 1.580 0 40 DDAB O=C(c1cccc(-c2nc([C@@H]3CCOC3)no2)n1)N1CCCC1 84425304 CGSAPMDQWJLRTN-LLVKDONJSA-N 314.345 1.872 0 40 DDAB COc1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2)cc1 5483078 YIDZMJVWIJQAQV-UHFFFAOYSA-N 309.329 1.852 0 40 DDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 6599891 SKMDQOQHCZFMCW-JTQLQIEISA-N 321.358 1.358 0 40 DDAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(N(C)C)cc1 6622791 SJMFEJLSVKRWFL-NSHDSACASA-N 320.345 1.511 0 40 DDAB Cn1c2c(c(=O)n(C)c1=S)[C@@H]1c3ccccc3OC[C@H]1CO2 6624138 MGJYRALOYDNBNL-CABZTGNLSA-N 316.382 1.986 0 40 DDAB biogenic CCCNC(=O)NC(=O)CSc1ncnc2ccccc12 6778962 IMRBBWJXZHAZDZ-UHFFFAOYSA-N 304.375 1.958 0 40 DDAB Cc1cc(C(=O)CN2CCC(N3CCO[C@H](C)C3)CC2)c(C)[nH]1 67400160 LCTSBWLZMRHORD-CQSZACIVSA-N 319.449 1.999 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nnc(N)[nH]1 15690630 AWXFHRMZFRIKOA-QMMMGPOBSA-N 307.379 1.823 0 40 DDAB COC(=O)CCNC(=O)c1cccc(-n2nc(C)cc2C)c1 80331549 DPNDVTHSBKTHIT-UHFFFAOYSA-N 301.346 1.782 0 40 DDAB COc1ccccc1-c1cc(NC(=O)[C@H](C)n2cncn2)[nH]n1 71856809 NTVICXUWZIYQER-JTQLQIEISA-N 312.333 1.877 0 40 DDAB COC(=O)c1cccc2c1CCCN2C(=O)c1cccc[n+]1[O-] 71807974 UABRIOYSOLEWRF-UHFFFAOYSA-N 312.325 1.700 0 40 DDAB Cn1cc([C@H](O)CNC(=O)C2(Cc3ccccc3)CCC2)cn1 95411837 SEOYTKPBXWDWFU-MRXNPFEDSA-N 313.401 1.983 0 40 DDAB Cn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1 71810944 OVLAFJGWAHXUSP-UHFFFAOYSA-N 310.365 1.175 0 40 DDAB C[C@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CC(C)(C)O1 68547901 DJMHEMPDLPUVQC-LBPRGKRZSA-N 320.393 1.020 0 40 DDAB NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422347 SKWJHAFOHUYGDY-UHFFFAOYSA-N 302.300 1.098 0 40 DDAB Cc1cccc(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 71900231 XHMBUYFMLUILEG-INIZCTEOSA-N 316.401 1.387 0 40 DDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1Cc2ccccc21 71916779 OCYJTIUNLSYMMD-CYBMUJFWSA-N 313.357 1.612 0 40 DDAB C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H](c2ccncn2)C1 69384239 MXZBPFHRFBAKEU-OLZOCXBDSA-N 312.377 1.473 0 40 DDAB CCOc1ccccc1OCC(=O)NCCN(C)CCOC 69434290 RWJRRLRUQVBBAK-UHFFFAOYSA-N 310.394 1.159 0 40 DDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc2cccnc12 8427867 OETCAOWAZMSWIV-NSHDSACASA-N 304.371 1.998 0 40 DDAB CNC(=O)CCOc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1 69568124 BYMCBAQNMMOYSD-ZDUSSCGKSA-N 319.405 1.624 0 40 DDAB CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc[nH]c1=O 69567765 CAQOKHARBFVASK-SNVBAGLBSA-N 309.391 1.261 0 40 DDAB CN1CCN(CCCN(C)c2ncnc3ccsc23)CC1 69621967 DYTXICAFFUZPPG-UHFFFAOYSA-N 305.451 1.765 0 40 DDAB CCCCS[C@H](C)C(=O)N1CCN(c2ccc(=O)[nH]n2)CC1 69655064 IRWCDQWGQRINLX-GFCCVEGCSA-N 324.450 1.340 0 40 DDAB O=S(=O)(Nc1ccc2nncn2c1)c1ccc(F)cc1F 95460443 ALPMDUYOMMAMKJ-UHFFFAOYSA-N 310.285 1.808 0 40 DDAB CCN1C(=O)CN(CN2CCN(c3ccccc3F)CC2)C1=O 69845009 WNUFKZGQIDXTHD-UHFFFAOYSA-N 320.368 1.189 0 40 DDAB CS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 69848872 KKOZBYXRNRDPLV-VHSXEESVSA-N 318.192 1.628 0 40 DDAB CCc1ncc2c(n1)CN(Cc1nc(CCOC)no1)CC2 72268450 DZTSKQHHXWGPEN-UHFFFAOYSA-N 303.366 1.169 0 40 DDAB CCn1cc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)cn1 97114379 FGABSJCSIMYEND-UHFFFAOYSA-N 321.406 1.681 0 40 DDAB CN1CCN(c2ncc(CN(C)Cc3ccncc3)cn2)CC1 97113733 ZNXYCONWGUXXGR-UHFFFAOYSA-N 312.421 1.255 0 40 DDAB Cn1nnc2c1CCN(C(=O)CCn1cnc3ccccc31)C2 72306438 PSJTYUCTWFDQGV-UHFFFAOYSA-N 310.361 1.140 0 40 DDAB CCCCS(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 98013634 FRWPINBVQCTDMR-GFCCVEGCSA-N 300.428 1.108 0 40 DDAB CC(C)n1cnc(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1 95993935 WTGVOLNBFSPTAI-UHFFFAOYSA-N 324.410 1.081 0 40 DDAB COC[C@@](C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)O 95989796 WZWMQGZCFXZJRJ-OAHLLOKOSA-N 321.308 1.231 0 40 DDAB Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2C)c(Br)c1 95974089 MHDNGJNUCZFRFU-VIFPVBQESA-N 311.179 1.718 0 40 DDAB Cc1[nH]ccc1C(=O)NC1CCC(N2C(=O)CCC2=O)CC1 89536809 JRARZBIKRLIODY-UHFFFAOYSA-N 303.362 1.513 0 40 DDAB Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c(=O)[nH]1 75125779 MTRKUBRDTFSGMF-QWHCGFSZSA-N 300.362 1.145 0 40 DDAB Cc1cc(N(C)C)nc(N2CCN(Cc3cc(C)on3)CC2)n1 68125858 LEAFGKAWUOFHDJ-UHFFFAOYSA-N 316.409 1.470 0 40 DDAB O=C(Cc1ccc(F)cc1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549747129 RITJJXHTYRQJKU-SNVBAGLBSA-N 306.316 1.946 0 40 DDAB COCCOc1ncccc1NC(=O)N[C@@]12C[C@H]1COC2(C)C 528963444 LQXQEFDGTBEHPG-ZBEGNZNMSA-N 321.377 1.796 0 40 DDAB O=C(NCC1(C(=O)O)CCC1)C1CCN(c2cnccn2)CC1 538469774 DDYJSHQJYYQWPH-UHFFFAOYSA-N 318.377 1.064 0 40 DDAB COC[C@H]1CN(c2ccc(F)cc2)CCN(S(C)(=O)=O)C1 72354424 JOENNPOCHOCISE-LBPRGKRZSA-N 316.398 1.170 0 40 DDAB C[C@](N)(Cc1cccc(I)c1)C(=O)O 36914688 RCYLCZQGMUWCBV-JTQLQIEISA-N 305.115 1.636 0 40 DDAB CCOC(=O)[C@@H](C)n1cc(I)c(C)n1 72339412 CMYCLRPEQOKYQY-SSDOTTSWSA-N 308.119 1.920 0 40 DDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccccn2)o1 72241073 JGDNPHXBKNWXJI-OAHLLOKOSA-N 313.357 1.790 0 40 DDAB CCOC(=O)CN1CCO[C@H](COc2ccc(Cl)cc2)C1 217484883 LTIQANXFCAKHDJ-AWEZNQCLSA-N 313.781 1.983 0 40 DDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 225807681 IUDACFQKZWZUCQ-GFCCVEGCSA-N 317.345 1.989 0 40 DDAB CO[C@@H](C)CS(=O)(=O)NCc1nc2ccccc2n1C1CC1 195453326 CRZXYAPQPVYEBO-NSHDSACASA-N 323.418 1.826 0 40 DDAB O=C(NC[C@@H]1COCCO1)N1CCc2c(F)cc(F)cc2C1 195540673 MZJYFPYJSJZPPT-GFCCVEGCSA-N 312.316 1.448 0 40 DDAB CC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225683399 CFWPTPLKNSGVOO-ZDUSSCGKSA-N 312.435 1.671 0 40 DDAB CN1CCC[C@@](O)(CN2CCN(Cc3ccccc3)CC2)C1 41124065 FSSYUZQZBIITDW-SFHVURJKSA-N 303.450 1.261 0 40 DDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCc1ccc(Cl)cc1 222433851 IDXMKYCWWSEGFT-ZOBORPQBSA-N 321.760 1.653 0 40 DDAB CC[C@H](CNC(=O)Cn1ncn(C)c1=O)c1ccc(Cl)cc1 97233803 VCJPWLVWZFJCOG-LLVKDONJSA-N 322.796 1.545 0 40 DDAB COc1ccsc1S(=O)(=O)NC[C@H](N)c1ccccc1 95432054 OOUXITAFXXCWTG-NSHDSACASA-N 312.416 1.735 0 40 DDAB COc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1 96183459 YHDDJPSRXVVOAO-UHFFFAOYSA-N 312.329 1.858 0 40 DDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 97199073 IFKIIJBXSGUSEK-WFASDCNBSA-N 313.357 1.463 0 40 DDAB CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1 96113068 JLUCUQASGIFCSG-AWEZNQCLSA-N 321.396 1.431 0 40 DDAB biogenic,in-vitro COc1c(Br)c(C(=O)N2CCSCC2)nn1C 96181054 SUYLELDSIUXIKE-UHFFFAOYSA-N 320.212 1.380 0 40 DDAB Cn1c2c(ccc1=O)C[C@@H](NC(=O)Cc1cccs1)CC2 96067585 KSOXJLGBKWNXCT-LBPRGKRZSA-N 302.399 1.663 0 40 DDAB Cc1noc(C)c1CN1CC[C@@H]2[C@@H]1CC(=O)N2c1cnn(C)c1 96205733 ZSOCPTRJCPOECW-CABCVRRESA-N 315.377 1.405 0 40 DDAB Cn1cc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)cn1 96094559 MUVXUMILXDFPNW-UHFFFAOYSA-N 300.410 1.297 0 40 DDAB COC(=O)C1(NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCC1 97373716 ZYTXPUVIOWPDNW-SNVBAGLBSA-N 322.327 1.473 0 40 DDAB COc1ccccc1C(=O)NCC(=O)NC[C@@H]1Cc2ccccc21 97096122 GEAZHPNDTLLAML-AWEZNQCLSA-N 324.380 1.881 0 40 DDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1C 96413595 SVIRPHOSLCIHIS-MEDUHNTESA-N 310.369 1.986 0 40 DDAB CSC[C@@H]1CCCN1Cc1cnc(N2CCN(C)CC2)nc1 93761274 VTVQVENNXFIKKL-HNNXBMFYSA-N 321.494 1.556 0 40 DDAB O=C1c2ccccc2C(=O)N1CCc1nc(-c2cnccn2)n[nH]1 95951754 NOPLGAXWQMOHSQ-UHFFFAOYSA-N 320.312 1.100 0 40 DDAB CCCS(=O)(=O)N1CCC2(CC1)CN(c1ccccc1)C2=O 96070961 XSNJAAGXKPXRIK-UHFFFAOYSA-N 322.430 1.855 0 40 DDAB OCCOCc1ncn2c1CN(Cc1ccccn1)CCC2 96259962 ODSJCVWQYSJIEJ-UHFFFAOYSA-N 302.378 1.193 0 40 DDAB Cc1cc(CN2CC3(CC[C@@H](CN4CCCC4=O)CO3)C2)no1 247899827 IHRUJWSFXBWXII-AWEZNQCLSA-N 319.405 1.586 0 40 DDAB NC(=O)C1CCN(Cc2cnc([C@H]3CCCCO3)nc2)CC1 257201264 AGYFJRDHTVCUNM-CQSZACIVSA-N 304.394 1.416 0 40 DDAB COCCN1C(=O)CCC[C@H]2CN(Cc3nccs3)CC[C@H]21 257204631 AVPLUKGLOYAMSW-UONOGXRCSA-N 323.462 1.993 0 40 DDAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1[nH]ncc1C 257281043 ONKBLRNRBKGWER-LBPRGKRZSA-N 300.428 1.832 0 40 DDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2Cc1ncccc1C 257211622 BZOUUBCVMMFCGY-RYQLBKOJSA-N 317.433 1.584 0 40 DDAB Cc1ccnc([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257251060 JPFPAIQSWFBMKK-CQSZACIVSA-N 323.356 1.875 0 40 DDAB CNc1cncc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257294469 QUIBWQQLJQGQER-GFCCVEGCSA-N 315.381 1.209 0 40 DDAB O=C1CN(C(=O)C2(Cc3ccccc3F)CCOCC2)CCN1 257259383 KYDGBOBWLOXIDM-UHFFFAOYSA-N 320.364 1.123 0 40 DDAB Cc1cc(CC[C@H]2CN(C(=O)c3cnco3)CCO2)ncn1 257244569 ILXLWHOPEDOGNV-ZDUSSCGKSA-N 302.334 1.247 0 40 DDAB Cc1nc2ccccc2n1CCN[C@H](C)C[C@H]1COCCN1 262358367 WDLRLWBNKRFMEH-HIFRSBDPSA-N 302.422 1.701 0 40 DDAB COc1c(C)cc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1C 263248844 GWERQWFNZODZEI-UHFFFAOYSA-N 307.346 1.364 0 40 DDAB COc1ccc(/C=C\C(=O)O[C@@H](CC(=O)O)C(=O)O)cc1OC 299888343 FZQDBBBREHNBJN-RNZFLTOJSA-N 324.285 1.188 0 40 DDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 575403311 HDIAQWRUSMUDAO-NLRWUALESA-N 318.373 1.139 0 40 DDAB COCCN1CCCN(C(=O)NCc2sccc2C)CC1 65439457 UBVSZFOPHUEVQO-UHFFFAOYSA-N 311.451 1.920 0 40 DDAB c1ccc([C@@H](CN2CCCC2)Nc2ccc3nnnn3n2)cc1 29526882 ZFTIRLIIARRBLJ-CQSZACIVSA-N 309.377 1.768 0 40 DDAB C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)n1cccn1 44669434 ONNWVNNKKUFFPG-OLZOCXBDSA-N 301.346 1.743 0 40 DDAB CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(Cl)s1 85473007 BANUGPIAXCRZTP-QMMMGPOBSA-N 311.812 1.437 0 40 DDAB O=C(CCCc1ccc(Cl)cc1)N1CCN(CCO)CC1 75244660 BWQLBCMZVFDBRP-UHFFFAOYSA-N 310.825 1.799 0 40 DDAB CN(C)c1ncccc1CNC(=O)NCC[C@@H](O)C(F)(F)F 76018130 LMZSDZGXHSISSN-SNVBAGLBSA-N 320.315 1.260 0 40 DDAB C[C@@H]1CN=C(N2CCN(CC(=O)NCC3CCC3)CC2)S1 79497721 OGNKHOCBEPABMA-GFCCVEGCSA-N 310.467 1.012 0 40 DDAB O=C(NCC1(OCCO)CCCC1)Nc1ccc2c(c1)OCO2 888107106 MNXHACMBXJMKNR-UHFFFAOYSA-N 322.361 1.859 0 40 DDAB COc1c(/C=C2/SC(=O)NC2=O)cccc1O[C@H](C)C(=O)O 5060158 ZPSQDRVCTBUSIQ-VSUWBIFXSA-N 323.326 1.871 0 40 DDAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC 5351355 SMJHXRNGHOVVQS-OUAUKWLOSA-N 316.423 1.000 0 40 DDAB Cc1cccc(OCC(=O)NCCCNC(=O)c2ccco2)c1 5015365 XAZIXJUJKAQSEI-UHFFFAOYSA-N 316.357 1.903 0 40 DDAB O=C(Cc1cc(-c2ccccc2)on1)NCCN1CCOCC1 12861530 RYDDILOMPHWLDV-UHFFFAOYSA-N 315.373 1.333 0 40 DDAB CCN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C 163047671 RMORHFABTCPJKV-UHFFFAOYSA-N 306.288 1.641 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](N)c1ccccc1 153770829 IUGPMZGVUFZJKZ-HUUCEWRRSA-N 303.406 1.546 0 40 DDAB CC(=O)N1CCC(CNC(=O)N2C[C@H](C)OC(C)(C)C2)CC1 105314720 FYTFBMULKOBKAM-LBPRGKRZSA-N 311.426 1.454 0 40 DDAB O=C1NCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc(O)cc12 1507228 ZIMKJLALTRLXJO-LBPRGKRZSA-N 301.346 1.058 0 40 DDAB biogenic O=C(NCc1nnnn1-c1ccccc1)NC1CCCCC1 9615472 FORXKISVGJXHKE-UHFFFAOYSA-N 300.366 1.794 0 40 DDAB Cc1noc(CN2CCN(C(=O)/C=C/c3cccs3)CC2)n1 36394756 MVFFSPAYDDVXOJ-SNAWJCMRSA-N 318.402 1.797 0 40 DDAB C[C@@H]1CC(=O)N(C[C@H](O)c2ccc(Br)cc2)C1=O 101510163 KIGUDJFLHZEKMB-KCJUWKMLSA-N 312.163 1.878 0 40 DDAB COc1c(C)cccc1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037983841 ICEVIXHRKPETSM-HOTGVXAUSA-N 318.417 1.683 0 40 DDAB COC(=O)[C@]1(CC2CC2)C[C@H](N2CCCC2)CCN1C(C)=O 2056214996 NFVLRNCCUPXZMT-WBVHZDCISA-N 308.422 1.805 0 40 DDAB Cn1ccc2ccn(CCNC(=O)Cc3ccsc3)c(=O)c21 575414633 FRWLRCUSNKJMDE-UHFFFAOYSA-N 315.398 1.760 0 40 DDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)NCc1c(F)cccc1F 585149711 KFQDTWHDQYFQCT-GXFFZTMASA-N 310.344 1.989 0 40 DDAB C[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CCO1 30617766 SMCSJNXLNVTYCD-LLVKDONJSA-N 324.812 1.594 0 40 DDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 31398948 DHQAEAQXGINLBQ-GXFFZTMASA-N 316.336 1.653 0 40 DDAB COc1ccc([C@@H]2CCCN2CCS(C)(=O)=O)c(OC)c1 40465914 SNWALNDMRSIZJE-AWEZNQCLSA-N 313.419 1.885 0 40 DDAB CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COC[C@@H]1CCCO1 40462771 PUHBRKNNQQZDTG-CABCVRRESA-N 323.389 1.404 0 40 DDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(C(F)(F)F)nc1 40540820 QQNKRCDCHLZYLP-SECBINFHSA-N 301.268 1.499 0 40 DDAB Cc1csc(N(C)C(=O)c2nc3nc(C)cc(C)n3n2)n1 40548875 QXUYNOLCXLYALN-UHFFFAOYSA-N 302.363 1.783 0 40 DDAB C[C@H]1CN(C(=O)CCc2nc(-c3cccnc3)no2)C[C@H](C)O1 40510961 HGJZZRZPAPNECG-RYUDHWBXSA-N 316.361 1.700 0 40 DDAB Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)n1C 21497825 ZENXZYLGYIJMNA-ZDUSSCGKSA-N 318.398 1.982 0 40 DDAB O=C(CCOc1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 32977412 DXPCXCNYEIYYPA-NSHDSACASA-N 317.794 1.412 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)on1 33119396 RCJXTNZISXEZNC-VIFPVBQESA-N 301.302 1.805 0 40 DDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CN1CCCS1(=O)=O)C2 103314702 NJENOWQCRVKIQS-ZOWXZIJZSA-N 315.435 1.780 0 40 DDAB CCOC(=O)c1c(CC)nn2c(=O)cc(-c3cccnc3)[nH]c12 103647355 NVDFJLMRYFROOM-UHFFFAOYSA-N 312.329 1.824 0 40 DDAB CC(C)(C)n1nc(C(=O)NC[C@@H]2COCCO2)cc1C1CC1 54619946 HXYKWTMSCMSBQU-GFCCVEGCSA-N 307.394 1.661 0 40 DDAB COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C 895 ZPUCINDJVBIVPJ-XGUBFFRZSA-N 303.358 1.868 0 40 DDAB biogenic,in-vivo Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(N)=O)no1 47628596 JCQCVDPAARKAMZ-CQSZACIVSA-N 302.334 1.080 0 40 DDAB COc1cc(Cl)cc(C(=O)N2CCN3CCN(C)C[C@@H]3C2)c1 106249325 FEFDVIQVJOPGDJ-CQSZACIVSA-N 323.824 1.420 0 40 DDAB COCCNC(=O)CN(C)C(=O)c1ccc(Cl)cc1F 55204496 XGYOPJMXRIVSQD-UHFFFAOYSA-N 302.733 1.314 0 40 DDAB O=C(NC1CC1)c1cn(-c2ccc(Br)cc2)nn1 24964364 PHJMCFSTFXMYNH-UHFFFAOYSA-N 307.151 1.922 0 40 DDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NOCc1ccccc1 25038621 PAVGHGPYNAXMAT-UHFFFAOYSA-N 313.313 1.697 0 40 DDAB CN(CCCC[C@@H](O)CN(C)C(=S)S)C(=S)S 1661149 YLXPQEHODVVOHN-MRVPVSSYSA-N 312.551 1.811 0 40 DDAB Cc1cc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)no1 4317059 YMECWWKKAUAHOS-UHFFFAOYSA-N 320.374 1.676 0 40 DDAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 6597213 RBSJNWVGLZOVJV-CYBMUJFWSA-N 312.435 1.968 0 40 DDAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccccn1 6962549 SFQZYYFQGQURJI-JYRVWZFOSA-N 309.329 1.591 0 40 DDAB COc1cc(C(=O)N2CCNC(=O)C2)ccc1OCCC(C)C 57377325 DLKCKNQKTUCJLA-UHFFFAOYSA-N 320.389 1.692 0 40 DDAB O=C1CN(c2ccc(NC(=O)NCc3ccccc3)cc2)CCN1 57991588 KTAGDSQZFUSNSW-UHFFFAOYSA-N 324.384 1.945 0 40 DDAB CS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2F)CC1 58016200 UVCYMGUTTCXKNM-UHFFFAOYSA-N 319.333 1.074 0 40 DDAB Cc1ccc([C@H](CNC(=O)NC2CC2)N2CCOCC2)cc1 36075845 VQLVNBZZUCDZBU-INIZCTEOSA-N 303.406 1.830 0 40 DDAB C[C@H](NC(=O)NC[C@H]1CCOC1)c1ccc2c(c1)OCCO2 48021146 HYDIKDYGDBLGAU-NWDGAFQWSA-N 306.362 1.855 0 40 DDAB CC(C)(C)CCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 58289880 MUQZQFNSBYPXSB-UHFFFAOYSA-N 323.418 1.904 0 40 DDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1cnccn1 100141233 NAAMWUXCHFMPLZ-BXUZGUMPSA-N 320.356 1.730 0 40 DDAB CCOC(=O)c1nnc2c(-c3cccs3)c(C)nn2c1N 9287633 YPELHPAGZOPZJO-UHFFFAOYSA-N 303.347 1.920 0 40 DDAB O=C(C[C@@H]1C=CCC1)NCCCNC(=O)c1cccc(O)c1 58407297 MCOSMPXLXYYENO-CYBMUJFWSA-N 302.374 1.985 0 40 DDAB C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 9951569 AVYLWJDGYNCEJW-LBPRGKRZSA-N 318.398 1.868 0 40 DDAB C[C@H](CCc1cccc(F)c1)N(C)CC(=O)N1CCOCC1 97084247 CGYAMSWXELSSML-CQSZACIVSA-N 308.397 1.937 0 40 DDAB Cn1cc(N2CC[C@H]3CN(Cc4cccs4)C[C@H]3C2=O)cn1 107254576 AKJITYWVTHTBGY-SWLSCSKDSA-N 316.430 1.967 0 40 DDAB Cc1ccccc1OCCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 11477638 NFZHSQVIVCAJDB-CYBMUJFWSA-N 319.405 1.682 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1nc(C3CC3)no1)C2 72292188 MUKKQZHVIJGSSN-GFCCVEGCSA-N 315.377 1.516 0 40 DDAB COC(=O)C[C@H](NC(=O)CCn1cccn1)c1cccs1 45905227 VMIBULFEZSDVOB-NSHDSACASA-N 307.375 1.755 0 40 DDAB CCc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)CCC2=O)cc1 60384642 WXEFSTQSGFFMGY-NSHDSACASA-N 317.341 1.512 0 40 DDAB Cc1ccc(CCNC(=O)NCCNC(=O)C2CCCC2)cn1 72277859 BDGWOLPOLDHRQI-UHFFFAOYSA-N 318.421 1.538 0 40 DDAB COCc1nc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)cs1 72279130 KOZKHCIWWFRMQJ-SNVBAGLBSA-N 306.391 1.539 0 40 DDAB COCCn1cc(NC(=O)NCCN(C(C)C)C2CC2)cn1 72242379 GFSVGXIKSRNUFS-UHFFFAOYSA-N 309.414 1.524 0 40 DDAB O=C(CNC(=O)c1ccc(Cl)cc1)NCCCn1ccnc1 3440944 CJOQEXOCJNDAGW-UHFFFAOYSA-N 320.780 1.473 0 40 DDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C2=O 3592588 AZYFJSJYXQECKS-BWBHSNQOSA-N 309.410 1.648 0 40 DDAB Cc1cccc(=O)n1CCCCNC(=O)N1CC[C@@H]([C@@H](C)O)C1 96010900 ZZCIPSZNPDECIV-HUUCEWRRSA-N 321.421 1.349 0 40 DDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1cccs1 48939043 NVLBREARNJQXSZ-LLVKDONJSA-N 316.448 1.221 0 40 DDAB CNC(=O)NC(=O)COc1ncnc2sc3c(c12)CCC3 39562730 OEXYAXZYTZGKLE-UHFFFAOYSA-N 306.347 1.014 0 40 DDAB CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C 6273610 ULJPARPKXWUYLL-UHFFFAOYSA-N 305.403 1.942 0 40 DDAB C[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 5240279 IUXPMHYMBNZBSO-QMMMGPOBSA-N 311.315 1.014 0 40 DDAB CCN(C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C1CC1 65456824 JVCQQKIWIGJDKL-UHFFFAOYSA-N 321.402 1.078 0 40 DDAB COc1c(CNC[C@@H](O)c2ccc(F)cc2F)c(C)nn1C 65595072 NSBZNTQURWBASH-CQSZACIVSA-N 311.332 1.839 0 40 DDAB COCCN1CC[C@H](CNC(=O)[C@H](OC)c2ccccc2)C1 65612981 HGSKPZPJHJGGCR-GDBMZVCRSA-N 306.406 1.459 0 40 DDAB CS(=O)(=O)NC1CCN(Cc2cccc(Cl)c2)CC1 65610161 VWVZXKGSLRNBPK-UHFFFAOYSA-N 302.827 1.854 0 40 DDAB Cc1ccc(Cn2nnc(C(=O)NCc3ccco3)c2N)cc1 9748765 GKAIOPHAGHJNLP-UHFFFAOYSA-N 311.345 1.740 0 40 DDAB Cc1c(Br)cccc1CS(=O)(=O)C[C@@H](O)CO 90085242 OUAQDQKFHIXCDJ-JTQLQIEISA-N 323.208 1.026 0 40 DDAB CCCn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425678 ITHHDCQKNOLUTE-JTQLQIEISA-N 305.382 1.070 0 40 DDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1ccc(C(F)(F)F)n1 71830229 JAPGYKFHHUJAKA-DTWKUNHWSA-N 318.299 1.014 0 40 DDAB CN(C)[C@@H](CNC(=O)Nc1ccn(C)n1)c1cccc(F)c1 71883937 NLPFEJHZZUWZAZ-ZDUSSCGKSA-N 305.357 1.984 0 40 DDAB CCCC(=O)N1CCCN(c2ncnc3c2cnn3C)CC1 71821685 ZWBOGVQQNOXJSC-UHFFFAOYSA-N 302.382 1.202 0 40 DDAB C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccnc1 16732872 JFEXHZUSPWRIQN-SNVBAGLBSA-N 305.359 1.220 0 40 DDAB COc1ccc(CC[C@@]2(C)NC(=O)N(CCCO)C2=O)cc1 69173178 AWGDHNAVJJVBQB-MRXNPFEDSA-N 306.362 1.321 0 40 DDAB CC(C)Oc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1 71829576 UHESREIFKXETBK-WCQYABFASA-N 305.378 1.595 0 40 DDAB Cc1occc1CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 71894168 QMILNOSTSTXHBM-UHFFFAOYSA-N 324.340 1.803 0 40 DDAB C[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 70040954 HOYQYLFPOCWMTM-CQSZACIVSA-N 302.418 1.243 0 40 DDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cn1 71830399 YTYHJSFTOMNBSM-ROUUACIJSA-N 324.428 1.868 0 40 DDAB CCC(=O)N[C@@](Nc1ncccc1C)(C(=O)OC)C(F)(F)F 19944406 KHFDYPHSBBUZGQ-GFCCVEGCSA-N 319.283 1.760 0 40 DDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NCc2ccco2)n1 69491926 ULTBGXBSCRSGLW-AWEZNQCLSA-N 317.393 1.269 0 40 DDAB Cc1nc2n(n1)C[C@H](NCc1nc(-c3ccccn3)no1)CC2 69632294 XUCHQKXMWHHYOO-LLVKDONJSA-N 311.349 1.136 0 40 DDAB CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccn2)C1 69628975 NQTWQYPIPPCRPT-CQSZACIVSA-N 304.394 1.672 0 40 DDAB Cc1cc(N(C)[C@@H](C)CS(C)(=O)=O)nc(-c2ccncc2)n1 71904239 ZEIIPYZKARJKDE-LBPRGKRZSA-N 320.418 1.716 0 40 DDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 69778691 IEWWTLFMVSZAPS-HIFRSBDPSA-N 316.405 1.366 0 40 DDAB CCCNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 9645748 URYJGPBDSJBMNY-CYBMUJFWSA-N 323.418 1.276 0 40 DDAB CCNC(=O)N1CCN(C(=O)c2ccccc2COC)CC1 69807805 NDZWPAIVLVQHCL-UHFFFAOYSA-N 305.378 1.320 0 40 DDAB C[C@H](CC(=O)NCCc1ccccc1)N1C[C@H]2[C@@H](N)CC[C@H]2C1 97165831 YOJDPKPNAQPNNY-SPUZQDLCSA-N 315.461 1.793 0 40 DDAB O=C(NC1CC1)c1ccc(N[C@H](CO)Cc2ccccc2)nc1 84525690 KKRVMCFTULZIJJ-INIZCTEOSA-N 311.385 1.989 0 40 DDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC(n2cccn2)CC1 84615212 ATCKHUYQKXGWJW-UHFFFAOYSA-N 312.373 1.537 0 40 DDAB Cc1nn(C)c(C)c1CNc1ccc(N2CCN(C)CC2)nc1 95430836 HOSOXEZGJZTDPA-UHFFFAOYSA-N 314.437 1.796 0 40 DDAB O=C(N[C@H]1COc2ccccc2C1=O)c1n[nH]c2ccccc12 95986931 XFIQRAHMVQKHDP-ZDUSSCGKSA-N 307.309 1.937 0 40 DDAB C[C@@H](N(C)C(=O)NCC1CCS(=O)(=O)CC1)C1(C)CC1 95975386 IHNVWSDLVBZMQM-LLVKDONJSA-N 302.440 1.641 0 40 DDAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cnsn1 89313378 JHGHDYKBFIEGON-LBPRGKRZSA-N 316.386 1.317 0 40 DDAB C[C@H]1CC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 75093263 GHWGOSKNUVNQTP-GXFFZTMASA-N 311.765 1.613 0 40 DDAB Cc1cc(C)c(CNC(=O)N(C)C[C@H]2CCCCO2)c(=O)[nH]1 75122242 XEWKZBWMXZKHHL-CYBMUJFWSA-N 307.394 1.702 0 40 DDAB O=C(O)CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCOc2ccccc21 89857781 AYKDYHSSFCXTKI-TZMCWYRMSA-N 319.357 1.645 0 40 DDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc2c1ccn2C 89919993 CFWOQUMXWQBXSE-NWDGAFQWSA-N 320.414 1.826 0 40 DDAB C[C@H]1CN(C)CCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 89938711 MUSXJEAKWUJNOW-LBPRGKRZSA-N 302.353 1.788 0 40 DDAB CCc1nnc2n1CCN(C(=O)c1cc(=O)c3ccccc3o1)C2 75602027 VNIFDXOOVPKRSE-UHFFFAOYSA-N 324.340 1.603 0 40 DDAB C[C@H](CNS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 24681822 UJRAYSBCUUBVOO-SECBINFHSA-N 324.855 1.401 0 40 DDAB COC(=O)c1cn(CC(C)C)nc1I 408717508 DPGAAHHWGNKXGB-UHFFFAOYSA-N 308.119 1.930 0 40 DDAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(C)n(-c2cccc(F)c2)n1 188639830 UNRQOGYPAHHESE-SNVBAGLBSA-N 319.340 1.576 0 40 DDAB CN(C)CCCNC(=O)c1ccc(CN2CCCC2=O)cc1 38772680 JIUMXDVCFZPYBG-UHFFFAOYSA-N 303.406 1.491 0 40 DDAB O=C(O)c1cn([C@@H]2CCN(c3ccnc(C4CC4)n3)C2)nn1 564839705 BGQNZAVGXIKCGS-SNVBAGLBSA-N 300.322 1.095 0 40 DDAB O=C(O)CN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 37594587 LNNYDAKSMKIACB-LBPRGKRZSA-N 317.794 1.414 0 40 DDAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCNS(C)(=O)=O)cc1 76956808 FRIIEJRPTFQZTM-HUUCEWRRSA-N 324.446 1.579 0 40 DDAB CN(CCCC(=O)NC(N)=O)Cc1cc(F)c(F)c(F)c1 180515365 HIYJDKDNFLWRIZ-UHFFFAOYSA-N 303.284 1.511 0 40 DDAB CN(C(=O)CN)C1CCC(NC(=O)OCc2ccccc2)CC1 79392870 GCIKTBMECLKGJG-UHFFFAOYSA-N 319.405 1.641 0 40 DDAB O=C(NCCCc1nc(=O)[nH][nH]1)c1coc(C2CCCCC2)n1 225775960 MRWUOVHNEHCIFR-UHFFFAOYSA-N 319.365 1.496 0 40 DDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N(C)CCN(C)c1ccccc1 135584303 WDXGNEBYHGAXPY-DZGCQCFKSA-N 312.435 1.562 0 40 DDAB COC(=O)c1sccc1Cn1c(-c2ccccn2)noc1=O 88499890 XUVRSIPAHRSKPN-UHFFFAOYSA-N 317.326 1.795 0 40 DDAB Cc1noc(C)c1CCN1C(=O)[C@@H]2c3ccoc3CCN2C1=O 530195074 RHDQRSMYEDADLS-AWEZNQCLSA-N 315.329 1.989 0 40 DDAB N[C@H]1C[C@@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 1580418361 PWRUQDWMCVAJLJ-OTSSQURYSA-N 323.194 1.793 0 40 DDAB O=C(O)CCCn1c(=O)ncn1-c1ccc(C(F)(F)F)cc1 572603150 WSDZWVSJKVUAPL-UHFFFAOYSA-N 315.251 1.918 0 40 DDAB CN(C)C(=O)c1cc(NC(=O)NC2(CO)CCCC2)ccn1 83570620 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CCn1nccc1NC(=O)N1CCN(c2ncccc2F)CC1 332147521 PHMYFGDNVCUBJI-UHFFFAOYSA-N 318.356 1.791 0 40 DDAB Cc1cccc(CN2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 96245245 UUQOIKJCHIHZED-BBRMVZONSA-N 311.389 1.218 0 40 DDAB OCCn1ncc2c(N3CCNc4ccccc4C3)ncnc21 97199737 CRWXLPKDGZSARB-UHFFFAOYSA-N 310.361 1.251 0 40 DDAB O=C(CNC(=O)N1CCc2ccccc2C1)N[C@H]1CC=CCC1 96412788 UOQWKVYGNGPRLZ-INIZCTEOSA-N 313.401 1.979 0 40 DDAB Cc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1F 240178506 YXXYESZKRGHZNX-UHFFFAOYSA-N 319.336 1.291 0 40 DDAB CO[C@H]1CN(C(=O)CCCc2cn[nH]c2)CC[C@@]12CCCO2 257341236 ZJLLPOWOISBBIP-HOCLYGCPSA-N 307.394 1.529 0 40 DDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c[nH]2)c1C 257323209 WJEDWCKHYVXVRB-GFCCVEGCSA-N 323.422 1.769 0 40 DDAB Cc1c(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)[nH]c2ccc(F)cc12 257334451 YFYBKGPSPUAOJQ-YOEHRIQHSA-N 318.348 1.981 0 40 DDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H](OC)[C@@H]2O)c(O)c1 257261387 LHBOMTAFBMHEPO-FVQBIDKESA-N 322.405 1.507 0 40 DDAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cncn2C)ccn1 257217961 DBILJVKYIFZFBJ-KRWDZBQOSA-N 313.405 1.788 0 40 DDAB O=S(=O)(c1ccc(F)cc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257229457 FYFCOULXYXGGBL-KBPBESRZSA-N 315.366 1.130 0 40 DDAB Cn1cc(C(=O)N2CCCC[C@H]2c2ncc(C(N)=O)s2)cn1 257262472 LLMUTYPJEPLITC-JTQLQIEISA-N 319.390 1.343 0 40 DDAB O=c1onc(-c2ncccn2)n1Cc1ccn(C2CCCC2)n1 268615066 LUZNHBCJTSJQNX-UHFFFAOYSA-N 312.333 1.653 0 40 DDAB CCOc1nnc(CN2CCCC[C@@H]2Cn2cncn2)s1 69696560 DTPKLBDGGSJZSS-LLVKDONJSA-N 308.411 1.583 0 40 DDAB CCOc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCOC)cc1 69737469 OWEDEBNTWXEUMC-ZFWWWQNUSA-N 307.346 1.706 0 40 DDAB C[C@H](O)CN1CCN(C(=O)CCc2nc3ccccc3o2)CC1 69980750 VYGAYCQVNOJKOY-ZDUSSCGKSA-N 317.389 1.285 0 40 DDAB O=C(CCOC[C@@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 72234874 WTHBJVJSMZLBQJ-KBPBESRZSA-N 308.382 1.027 0 40 DDAB C[C@H]1C[C@H]2NC(=O)C[C@H]2[C@@H]1CNC(=O)COc1ccccc1 1775964476 ZSKBPXMEPKLEQA-SPWCGHHHSA-N 302.374 1.342 0 40 DDAB biogenic,in-vitro CCCN1CC[C@@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1 54511292 XZGRXGNIQURZEQ-AWEZNQCLSA-N 310.442 1.015 0 40 DDAB COCC(C)(C)NC(=O)c1cc(Br)c(C)[nH]c1=O 95944203 QVJDHCWXAXLQCW-UHFFFAOYSA-N 317.183 1.601 0 40 DDAB C[C@@H]1CN(Cc2ccccc2)CCCN1CCS(C)(=O)=O 96419648 HSJRRDYMDBDFNO-OAHLLOKOSA-N 310.463 1.627 0 40 DDAB O=S(=O)(NCCCn1cccn1)c1cccc2cccnc12 14238117 ANFVKKKYEOPQPD-UHFFFAOYSA-N 316.386 1.800 0 40 DDAB N=c1sccn1CC(=O)Nc1ccc2c(c1)OCCCO2 3354647 QEIUYPDJRVTNDY-UHFFFAOYSA-N 305.359 1.829 0 40 DDAB Cc1cc(N2CCN(c3nc4ccccc4n3C)CC2)ncn1 1889149009 VQQWIVLCHSYVNP-UHFFFAOYSA-N 308.389 1.998 0 40 DDAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 23420370 CFYVKQRNMMQRKN-UHFFFAOYSA-N 319.361 1.606 0 40 DDAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NCc1ccco1 23627076 NOMAVYBDVHHTOU-UHFFFAOYSA-N 322.386 1.720 0 40 DDAB Cc1cccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1F 161606913 SBNOXHSWNURGME-SNVBAGLBSA-N 300.355 1.027 0 40 DDAB CC1CCC(C(=O)N2CC[C@H]3CN(S(C)(=O)=O)C[C@H]32)CC1 1565544693 ODGBOZQDTIHMDK-CLRIEMFWSA-N 314.451 1.305 0 40 DDAB CC1CCC(C(=O)N2CC3(CCN(S(C)(=O)=O)C3)C2)CC1 1565550909 HSHDEJVIMLDRMS-UHFFFAOYSA-N 314.451 1.307 0 40 DDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)C3(F)CCC3)CC2)C1 1565546789 KGWIKOPEDKZRDJ-UHFFFAOYSA-N 323.368 1.295 0 40 DDAB O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1 10220567 RAFXQAFTSVIOIV-GFCCVEGCSA-N 315.366 1.790 0 40 DDAB C[C@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)CCO1 30975041 ZRYAZJKKUCTNOZ-NSHDSACASA-N 303.387 1.995 0 40 DDAB COc1ccc(-c2nc(CN3CCN(CCO)CC3)co2)cc1 40490183 GQBIRLWTNDVSCQ-UHFFFAOYSA-N 317.389 1.460 0 40 DDAB Cc1cccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c12 20462753 NYDWQWIBZYJSOW-UHFFFAOYSA-N 311.389 1.091 0 40 DDAB CC(C)N1C[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O 40506264 GNEONKARACHCFF-CHWSQXEVSA-N 323.462 1.724 0 40 DDAB COc1ccc2c(c1OC)C(=O)N(c1n[nH]c(SC)n1)C2 20606532 SYWUIPZYAFOSAW-UHFFFAOYSA-N 306.347 1.704 0 40 DDAB Cc1ccc(CCCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)s1 101498804 FPLBUZNEVALBPY-ZDUSSCGKSA-N 320.414 1.785 0 40 DDAB CN(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cn1 21143764 YUJXLLAVXUQGPO-CQSZACIVSA-N 311.341 1.868 0 40 DDAB Cc1nn(C)c2ncc(C(=O)NCCCN3CCCC3=O)cc12 32645198 ARKGBLABBPXCQN-UHFFFAOYSA-N 315.377 1.019 0 40 DDAB NC(=O)Nc1cccc(NC(=O)CCCNC(=O)C2CC2)c1 32938452 UPMZJSICWVBTDC-UHFFFAOYSA-N 304.350 1.422 0 40 DDAB O=C(NCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 22064197 WGVZKAJAISJASD-UHFFFAOYSA-N 321.465 1.977 0 40 DDAB Cc1cccc2c(=O)cc(C)n(CC(=O)N3CCOCC3)c12 520301 FHVBEUFKDXJJTM-UHFFFAOYSA-N 300.358 1.477 0 40 DDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 103507419 OPRSZJKNTQGUSE-SWTLQDTFSA-N 311.341 1.937 0 40 DDAB COC[C@@H](C)NC(=O)Cn1c(S)nnc1-c1cccc(C)c1 22624604 MNJLIHOGNIFMHJ-LLVKDONJSA-N 320.418 1.693 0 40 DDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)N1CCc2sccc2C1 22645035 SQBDNACQLFKYFM-ZETCQYMHSA-N 309.420 1.514 0 40 DDAB Cc1cc(C(=O)NC2CCN(C(=O)c3ccoc3C)CC2)on1 53918307 WGBIPNVRVMJCMU-UHFFFAOYSA-N 317.345 1.919 0 40 DDAB CCCCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CC 22990830 JTMCEOGQSQJFFD-OAHLLOKOSA-N 324.446 1.679 0 40 DDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 807367 UMXXLGVTVJRDCJ-UHFFFAOYSA-N 314.297 1.664 0 40 DDAB CCO/C=C/[C@](O)(CNC(=O)c1ccncc1)C(F)(F)F 3186122 DLOGNMRPQWZJBT-ZCRIDZFUSA-N 304.268 1.655 0 40 DDAB COCCS(=O)(=O)NCC(=O)Nc1c(C)cc(C)cc1C 72230391 MASUMVIXGQOWBJ-UHFFFAOYSA-N 314.407 1.116 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)NCCc1cccc2ccccc12 106532017 CTRQYAHTORUDSZ-CYBMUJFWSA-N 311.385 1.912 0 40 DDAB CCO[C@@H]1C[C@@H]1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 106834107 BPYYXVBEMTUHLW-FPMFFAJLSA-N 308.353 1.011 0 40 DDAB CCOc1cc(C(=O)NCC(=O)O)cc(OCC)c1OCC 2650185 SISIZEYKBBNLND-UHFFFAOYSA-N 311.334 1.697 0 40 DDAB Cn1cc(Cl)cc1C(=O)N1CCN(c2cnccn2)CC1 25343283 DMVGCMISWYDUOB-UHFFFAOYSA-N 305.769 1.431 0 40 DDAB S=C(c1cn(-c2ccccc2Cl)nn1)N1CCOCC1 1417836 ZCAZMKOWSRXKTL-UHFFFAOYSA-N 308.794 1.928 0 40 DDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6678222 ZPULMZCKQMKSRL-ZJUUUORDSA-N 302.371 1.407 0 40 DDAB Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NCC2CC2)C1 108535729 NIDQVABYGPPTRP-WMZOPIPTSA-N 316.449 1.939 0 40 DDAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)sc1C 72297534 AYYDCJBHHBXXKU-LLVKDONJSA-N 306.395 1.153 0 40 DDAB CCCCCOc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1 2025064 DUYALMSYLLLOLL-LBPRGKRZSA-N 308.378 1.691 0 40 DDAB NC(=O)C1(CNc2ccnc(-c3ccccc3)n2)CCOCC1 72284936 HGSRXOPOPFUSNO-UHFFFAOYSA-N 312.373 1.838 0 40 DDAB COCc1ccccc1NC(=O)N[C@H](C)CN1CCCC1=O 58110075 KOPYLFCLUXRURE-GFCCVEGCSA-N 305.378 1.965 0 40 DDAB CN(C[C@@H]1CCCCO1)C(=O)c1ccnc(-n2ccnc2)c1 58299619 YSUOZFLZINBCNF-AWEZNQCLSA-N 300.362 1.908 0 40 DDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc2c(c1)OCCO2 44911812 XFHPVHKEWZRDEI-PWSUYJOCSA-N 304.346 1.113 0 40 DDAB COc1ccc([C@@H](CNC2=NCCCN2)N2CCOCC2)cc1 58329445 SJMOPRUSMYECOX-MRXNPFEDSA-N 318.421 1.007 0 40 DDAB c1cc(CNc2nccn3cnnc23)cc(Cn2cccn2)c1 72289826 UDAYYRFHBKFXBD-UHFFFAOYSA-N 305.345 1.981 0 40 DDAB C[C@H]1CCCN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C1 28037499 ZTTRKJZAVMDSDY-LBPRGKRZSA-N 322.434 1.971 0 40 DDAB COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1COc2cc(OC)ccc2C1 58403364 BCCFDKVDTXQIAZ-WCQYABFASA-N 321.373 1.514 0 40 DDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)Oc1cccnc1)C2 72287280 ZJQKSYZXKYWLTB-QWHCGFSZSA-N 300.362 1.485 0 40 DDAB CN(C)CCNCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 22037982 XJFHZRGHSSKKEH-UHFFFAOYSA-N 301.293 1.098 0 40 DDAB C[C@H](C(=O)/N=c1/sccn1Cc1ccccc1)S(C)(=O)=O 97127756 LGWOJKQQDLYUCH-BFWGRDPESA-N 324.427 1.458 0 40 DDAB C[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1)S(C)(=O)=O 97127755 LGWOJKQQDLYUCH-AKCBPTIMSA-N 324.427 1.458 0 40 DDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1csc(-c2ccco2)n1 46113113 SCSSCRQJKVMLDX-QMMMGPOBSA-N 314.388 1.452 0 40 DDAB Cn1nc(C(F)(F)F)cc1C(=O)NCCCN1CCCC1=O 2778535 GLHBSHMYZYPDML-UHFFFAOYSA-N 318.299 1.181 0 40 DDAB CC(C)NC(=O)C[C@@H]1[C@@H]2CN(C(=O)Cc3ccccn3)C[C@@H]21 107253887 OKSNSDCKVVBWQR-QDMKHBRRSA-N 301.390 1.243 0 40 DDAB O=C(CC1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647533 PSXFOKIPRCXXKZ-OAHLLOKOSA-N 308.422 1.807 0 40 DDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1c(C)nn(C)c1C)CC2 95400732 VJHZCVBCVZKMOO-ZIAGYGMSSA-N 321.421 1.429 0 40 DDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccco1 3506713 SUMWRFGKYKFCKT-UHFFFAOYSA-N 300.236 1.777 0 40 DDAB COC(=O)c1sc(NC(=O)CCCn2cccn2)nc1C 63473746 FASFKUCYUZNKJB-UHFFFAOYSA-N 308.363 1.854 0 40 DDAB COc1ccc2c(C)c(CC(=O)NC3CC3)c(=O)oc2c1OC 5346935 LODQXIDTAZUKED-UHFFFAOYSA-N 317.341 1.940 0 40 DDAB CC(C)n1nnnc1SCc1nnnn1-c1ccccc1 14167323 TVPRFPPYFOLDMK-UHFFFAOYSA-N 302.367 1.522 0 40 DDAB CCn1cc(C2CCN(CC(=O)NCc3ccco3)CC2)cn1 97203407 LXRKJEXESSWLGO-UHFFFAOYSA-N 316.405 1.992 0 40 DDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)NC(=S)N2C(C)=O 4671344 PNPIKNKUTPBYED-ZOWXZIJZSA-N 320.370 1.362 0 40 DDAB COC(=O)CSc1nc2ccccc2n1S(C)(=O)=O 5610805 DMSXXGWTSVFTIB-UHFFFAOYSA-N 300.361 1.109 0 40 DDAB CCN(C)C[C@H]1CCN(C(=O)CNc2ccccc2OC)C1 96432441 UIAQTIHXXMAFRZ-CQSZACIVSA-N 305.422 1.907 0 40 DDAB C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)C2CC=CC2)CC1 96449543 CYLDKPBRJXMLKB-OAHLLOKOSA-N 319.449 1.498 0 40 DDAB O=C(NCc1cc[nH]n1)N(CCCO)[C@@H]1CCc2ccccc21 95409677 IHPPAPIYODOYMU-MRXNPFEDSA-N 314.389 1.991 0 40 DDAB C[C@@H](C(=O)N1N=CC[C@@]1(O)C(F)(F)F)n1cc(Cl)cn1 6850496 QZCXUEAWKQFOAX-IMTBSYHQSA-N 310.663 1.567 0 40 DDAB Cc1cc(C)n2nc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nc2n1 15515074 YNQWBKWXKRKYTL-UHFFFAOYSA-N 323.316 1.163 0 40 DDAB CC(C)C[C@H](C)Oc1cc(CNC(=O)c2c[nH]nn2)ccn1 71896612 KOIFQWPNXNLXDU-NSHDSACASA-N 303.366 1.943 0 40 DDAB C[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cccn1 71863370 UAUULHNBRJXRHZ-LBPRGKRZSA-N 300.366 1.337 0 40 DDAB Cn1ncc(C(=O)NCCc2cscn2)c1-n1cccc1 71896357 IHKIWYZDCQUDQP-UHFFFAOYSA-N 301.375 1.640 0 40 DDAB NC(=O)[C@H]1CCN(Cc2cc(Br)ccc2F)C1 71836895 TXALLOHDGNAUQV-QMMMGPOBSA-N 301.159 1.895 0 40 DDAB CC(=O)N1CCN(Cc2nnc(-c3cccc(C)c3)o2)CC1 16335010 KTVQYUXVOGBOMJ-UHFFFAOYSA-N 300.362 1.709 0 40 DDAB C[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)Cn1cccn1 81487523 PZOZFQFIRNJJMN-PWSUYJOCSA-N 320.315 1.228 0 40 DDAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C[C@@H](C)O1 8030057 WVOJRRGMQWUFRK-RKDXNWHRSA-N 317.338 1.322 0 40 DDAB Cn1nc(C(=O)NOCc2ccccc2)c2ccccc2c1=O 8096802 WDDMBXSQZFZZAC-UHFFFAOYSA-N 309.325 1.795 0 40 DDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cn3cccnc3n2)c1 70004412 CGOPCCYGFSGPJK-CYBMUJFWSA-N 310.361 1.539 0 40 DDAB C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cccn1 70040498 SEWDGSSXDSAEOD-VXGBXAGGSA-N 305.407 1.831 0 40 DDAB Cc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)c2c(=O)[nH]n(C)c2n1 69461002 BXQZNHBZDGMGAE-JTQLQIEISA-N 314.345 1.962 0 40 DDAB CC(=O)N1CCN([C@H]2CN(CCC(F)(F)F)C[C@@H]2C)CC1 84714507 NCIAJUWIKUGCQC-AAEUAGOBSA-N 307.360 1.423 0 40 DDAB O=C(CN(CCO)CCCO)N1CCC[C@H]1c1cccs1 69700730 SQHITBVMNULMMI-ZDUSSCGKSA-N 312.435 1.088 0 40 DDAB Cc1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)on1 69876143 ILEACMPHOMTQKI-UHFFFAOYSA-N 301.350 1.514 0 40 DDAB CCn1/c(=N/C(=O)[C@@H](C)NC(C)=O)[nH]c2cc(Cl)ccc21 92570724 YMPKLSUJYGJELB-MRVPVSSYSA-N 308.769 1.595 0 40 DDAB COc1ccc2nnc(CCC(=O)NC3CCCCC3)n2n1 71285744 PGJWGWFKORKRCQ-UHFFFAOYSA-N 303.366 1.514 0 40 DDAB NS(=O)(=O)c1cccnc1N1CCC[C@H](c2nccs2)C1 97047766 VRGFXPNJHODQFN-JTQLQIEISA-N 324.431 1.570 0 40 DDAB C[C@]1(C2CC2)NC(=O)N(CCc2cnc(C3CC3)nc2)C1=O 95992636 PXWBMKSTKFDBBF-MRXNPFEDSA-N 300.362 1.617 0 40 DDAB Cn1ncc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1=O 95971027 VAEKJEJPNOGREH-RNCFNFMXSA-N 315.826 1.900 0 40 DDAB Cc1nc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)sc1C 95985684 UTDPHTWHMGPNDU-JTQLQIEISA-N 317.436 1.136 0 40 DDAB Cc1nc(C)c(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)o1 89558182 LHGDMTDGXJMWPA-ZDUSSCGKSA-N 305.378 1.812 0 40 DDAB Cc1cc(F)c(S(=O)(=O)N(C)Cc2cnccn2)cc1F 89570478 MNAJSKKKCPSJER-UHFFFAOYSA-N 313.329 1.884 0 40 DDAB O=C(c1cnn(-c2ccc(F)cc2)n1)N1CC[C@]2(CCOC2)C1 89793904 ZRDICJYDYCCZDG-INIZCTEOSA-N 316.336 1.659 0 40 DDAB Cc1cnn(CCNCC(=O)Nc2cc(C(C)(C)C)nn2C)c1 89702507 VRQKXYWONVPUHW-UHFFFAOYSA-N 318.425 1.451 0 40 DDAB CC(C)n1cc(S(=O)(=O)N2CCc3ccc(O)cc3C2)cn1 89894063 NHRVBVOCPDKFFR-UHFFFAOYSA-N 321.402 1.917 0 40 DDAB Cc1ccccc1S(=O)(=O)NC(=O)NN1C[C@H]2CCC[C@@H]2C1 22059951 XLSAYFQNZDWDHT-CHWSQXEVSA-N 323.418 1.630 0 40 DDAB in-vitro O=C(c1onc2c1CCCC2)N1CCN(CC(F)(F)F)CC1 665776796 JJKIFHRQCWZFME-UHFFFAOYSA-N 317.311 1.874 0 40 DDAB CN(c1cc(F)ccc1F)S(=O)(=O)c1cnc2n1CCC2 548524685 ROBJISCWADFWOW-UHFFFAOYSA-N 313.329 1.933 0 40 DDAB CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ncc[nH]1 67694366 WYDNSWPHFIPDGB-UHFFFAOYSA-N 322.434 1.776 0 40 DDAB O=C(NC[C@@H](O)C1CCOCC1)c1nccc2ccccc12 77049931 UPWUQXDWLWODHB-OAHLLOKOSA-N 300.358 1.752 0 40 DDAB CC(=O)N1CCC(c2cc(CCC(=O)N(C)C)nc(C)n2)CC1 72366970 YCUDOJZTLVQCTC-UHFFFAOYSA-N 318.421 1.532 0 40 DDAB CCNS(=O)(=O)c1ccc(N[C@@H](C)CC)c(C(=O)O)c1 217538178 OVBXJMGUNAXNTK-VIFPVBQESA-N 300.380 1.893 0 40 DDAB COc1cccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)c1 72227572 HZRSHQWNSKDWBC-HZPDHXFCSA-N 312.325 1.839 0 40 DDAB CC[C@@H](C)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 79189727 WGLGMUCYAXOXIY-LLVKDONJSA-N 315.373 1.636 0 40 DDAB biogenic O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCO 40396543 YODJKNZYRWVYKA-UHFFFAOYSA-N 324.315 1.843 0 40 DDAB O=C1CNc2ncnc(Nc3cnn(Cc4ccccc4)c3)c2N1 41121467 SPGPZPVQAIRYSX-UHFFFAOYSA-N 321.344 1.829 0 40 DDAB COc1cccc(OC)c1CNC(=O)c1c(C)nn(C)c1C 225884031 HICWCARTMYTEPF-UHFFFAOYSA-N 303.362 1.984 0 40 DDAB COCCCNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016784 CYLPNIYMSSTZKP-UHFFFAOYSA-N 316.365 1.833 0 40 DDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCOCC(F)(F)C(F)F 195576571 XYEVREFAWPTWBA-DTORHVGOSA-N 309.259 1.855 0 40 DDAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](C(F)(F)F)C[C@@H]2O 85399283 YXGBVZKPZJQNID-LDWIPMOCSA-N 305.252 1.710 0 40 DDAB Cn1cnc(-c2cccc(NC(=O)N[C@H]3C[C@H]4CC[C@H]3O4)c2)n1 190215042 WTLGUKBSDQJDPV-HZSPNIEDSA-N 313.361 1.924 0 40 DDAB CNS(=O)(=O)c1ccc(NCc2sc(C)nc2C)nc1 97104020 VTPARVNZDCQJKN-UHFFFAOYSA-N 312.420 1.675 0 40 DDAB CS[C@H]1CCC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 96409443 RYBVEBUPCSTGOK-NEPJUHHUSA-N 309.435 1.801 0 40 DDAB CN(CC[C@H]1CCCCN1C)CC(=O)NCc1cccnc1 96441540 HXSBFFGKHMMQFR-MRXNPFEDSA-N 304.438 1.504 0 40 DDAB C[C@@H](NC(=O)c1cc[nH]n1)c1ccc(S(C)(=O)=O)c(F)c1 96425837 IDLNPQSPYBIVOJ-MRVPVSSYSA-N 311.338 1.443 0 40 DDAB CCS(=O)(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 96046889 NMSZFDZACVHOKG-UHFFFAOYSA-N 300.424 1.061 0 40 DDAB NCCCNS(=O)(=O)c1ccc(Br)c(F)c1 97229284 SNILROSSURQAGT-UHFFFAOYSA-N 311.176 1.215 0 40 DDAB Cn1ncnc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O 95463404 SWPTXPFRLNOCIN-UHFFFAOYSA-N 317.393 1.298 0 40 DDAB CCO[C@@H]1C[C@H](N(C)CCCS(=O)(=O)NC)C12CCCC2 96419675 ABPOWBMQNCFIDI-UONOGXRCSA-N 318.483 1.595 0 40 DDAB CC(C)C(=O)N1C[C@@H]2CN(CC(=O)O)C[C@H]2c2ccccc21 96251759 XZKXAFSPTIUEJE-GXTWGEPZSA-N 302.374 1.789 0 40 DDAB Cc1cccc(C)c1NCC(=O)N[C@@H](C)CCN1CCOCC1 96426496 CLIWYATYMDAJMT-INIZCTEOSA-N 319.449 1.942 0 40 DDAB COc1ncccc1CN1CCC2(CC1)OCC(=O)N(C)[C@@H]2C 96201510 NSGGZKGZSXJCMM-CYBMUJFWSA-N 319.405 1.302 0 40 DDAB O=S(=O)(CC1CCCC1)NCc1cn(-c2ccccc2)nn1 95420587 VCVLTUWUPRXKQG-UHFFFAOYSA-N 320.418 1.877 0 40 DDAB COC[C@@H]1CN(C)CC12CCN(C(=O)Cc1ccco1)CC2 248092926 WGUUSGUAJXFOLB-AWEZNQCLSA-N 306.406 1.639 0 40 DDAB COCCN1CCN(C[C@H]2CCOC2)Cc2ccc(C)nc21 248334737 LWVVEEZNHPPXMD-OAHLLOKOSA-N 305.422 1.695 0 40 DDAB CN(Cc1cnn(C)c1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257280358 OKNKSHLLMZBKEW-IKGGRYGDSA-N 301.390 1.823 0 40 DDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 257317220 VIWLWYHCOVDEPP-AWEZNQCLSA-N 303.337 2.000 0 40 DDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2cc(Cl)cn2)n1 257301394 RYHIONQHCQZJNR-NSHDSACASA-N 309.757 1.168 0 40 DDAB O=c1oc2ccccc2n1-c1cnc(C[C@@H]2CCCNC2)cn1 257342892 ZQMUTPZNRZXVTQ-LBPRGKRZSA-N 310.357 1.916 0 40 DDAB CCN1CCC(N2CCOC[C@H](Cc3ccncn3)C2)CC1 257327035 WZPFIMJXJXDOGF-OAHLLOKOSA-N 304.438 1.452 0 40 DDAB O=C(COc1ccccc1F)N1CCOC[C@H]1c1ccn[nH]1 257318096 VMMKBWSMVYIEGX-ZDUSSCGKSA-N 305.309 1.528 0 40 DDAB Nc1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257268272 MKYHTXVTHYMCCJ-CYBMUJFWSA-N 303.387 1.868 0 40 DDAB CN(C)Cc1cncc([C@H]2CCCN2Cc2cn(C)cn2)n1 257262873 LNIHNCOEDQWKCS-MRXNPFEDSA-N 300.410 1.609 0 40 DDAB CC(=O)N1CCC(Cc2nccnc2-c2cnc(C)n2C)CC1 257200491 ADODGJWXNLFTAF-UHFFFAOYSA-N 313.405 1.987 0 40 DDAB CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(C(N)=O)c2)C1 257292171 QKHIYLHGJDCLHC-CYBMUJFWSA-N 305.378 1.667 0 40 DDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc(OC(C)C)cc2)CCO1 257260738 LECVSAPEZMGFBX-QGZVFWFLSA-N 320.389 1.451 0 40 DDAB Cc1cc(C(=O)N2CCC[C@@]3(CCN3C[C@@H]3CCCO3)C2)no1 585101954 NESDCJOAADSVKG-WMLDXEAASA-N 319.405 1.843 0 40 DDAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@H](N2CCNC2=O)C1 71841656 TYSNTHBOHWTVNB-YNEHKIRRSA-N 303.362 1.399 0 40 DDAB NC(=O)c1ccc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc1 72388079 XOLXYRPFLUBTHC-INIZCTEOSA-N 315.348 1.893 0 40 DDAB Cc1cc(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)nn1C(C)(C)C 51450083 WYZFAFHXTFTKDO-ZIAGYGMSSA-N 322.453 1.786 0 40 DDAB CCOC(=O)[C@H](C)N(C)C(=O)CCCNC(=O)C(C)(C)C 75110652 KPRHETBDLYRYQP-NSHDSACASA-N 300.399 1.339 0 40 DDAB C[C@H](NCCNS(=O)(=O)c1ccccc1)[C@H](C)n1cccn1 75133868 ZNZWSJISHSHRHS-KBPBESRZSA-N 322.434 1.401 0 40 DDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CCO 95999827 NOXTVPCXDJMJNA-INIZCTEOSA-N 301.390 1.855 0 40 DDAB COCCCNC(=O)CN(C)c1cncc(Br)c1 96429108 MWRQQSJRIGUGFZ-UHFFFAOYSA-N 316.199 1.433 0 40 DDAB C1CN([C@H]2CC[C@H]3S[C@@H]2CC[C@H]3N2CCOCC2)CCO1 15319992 AISSRCQTANXUHV-QKPAOTATSA-N 312.479 1.446 0 40 DDAB Cc1ncc2c(n1)C1(CCN(C(=O)c3cccnc3)CC1)OCC2 19287458 JRVSYQKYULXBAH-UHFFFAOYSA-N 324.384 1.884 0 40 DDAB COc1ccccc1[C@H]1CC(=O)C[C@@H](Nc2nonc2N)C1 19974051 SJOMZLRRAJNANB-ZJUUUORDSA-N 302.334 1.978 0 40 DDAB C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)Cc1cccs1 156129898 SNXWZAYNNFMURQ-SNVBAGLBSA-N 303.387 1.851 0 40 DDAB NCC(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 252587173 VZQIYOXPHSGNBZ-HDJSIYSDSA-N 305.378 1.299 0 40 DDAB O=C([C@H]1CCCN(Cc2cncs2)C1)N1CCSCC1 1888850370 WJHBCRZRIRVLGD-LBPRGKRZSA-N 311.476 1.931 0 40 DDAB Cn1ncc2c(N[C@H]3CCN(C4CCOCC4)C3)ncnc21 1889083313 PFHSPNDJTQGCKQ-NSHDSACASA-N 302.382 1.029 0 40 DDAB CNC(=O)CN1CCC(NC(=O)C[C@@H](C)c2ccccc2)CC1 25228666 OKPKTMLXDDGTQB-CQSZACIVSA-N 317.433 1.507 0 40 DDAB Cc1ccccc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 26100166 QZPPVDFDSJUMGO-BQYQJAHWSA-N 322.430 1.548 0 40 DDAB COc1ccccc1OCC(=O)N1CC[C@H](n2nccn2)C1 239612041 FIHMNVJJSUZZRI-LBPRGKRZSA-N 302.334 1.139 0 40 DDAB CN1C(=O)COC[C@@H]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]21 2037984252 VNGYSZAFVDXUOI-WFASDCNBSA-N 310.344 1.644 0 40 DDAB COC1(CC(=O)N2C[C@@H]3CCN(CC4CC4)C(=O)[C@H]3C2)CCC1 1565550628 CSLFGYWANRRIKN-GJZGRUSLSA-N 320.433 1.663 0 40 DDAB O=C([C@@H]1CO[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2C1)N1CCCC1 1565547164 LONJIORADOGJQB-MELADBBJSA-N 324.396 1.365 0 40 DDAB CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CCN(C(C)C)C2 2055796161 HLHNKGWIKYMOHQ-KRWDZBQOSA-N 309.454 1.434 0 40 DDAB Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3C(=O)c3cc[nH]n3)O2)o1 2055750581 HRDPCVFSCTWBAC-IJLUTSLNSA-N 303.322 1.236 0 40 DDAB CCc1noc([C@H](C)N2CCN(C(=O)c3ccoc3)CC2)n1 40071699 YHDIUIRPTBJDJB-NSHDSACASA-N 304.350 1.744 0 40 DDAB Cc1cccc(OCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 40161703 UQPQMRNUHGWKAV-KRWDZBQOSA-N 318.417 1.697 0 40 DDAB CC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)c(C)c2)CCO1 30849019 HKDMDXFVZWFKBN-CYBMUJFWSA-N 301.350 1.222 0 40 DDAB CC(=O)c1c(C)cc(C)c(CN2CCO[C@@H](C(N)=O)C2)c1C 51131705 HNKDPUYLFXBUIL-OAHLLOKOSA-N 304.390 1.501 0 40 DDAB NC(=O)CCN1CCC(C(=O)NCCc2ccccc2F)CC1 40540581 LTUQEMWTQYJPIX-UHFFFAOYSA-N 321.396 1.072 0 40 DDAB C[C@@H]1CN(C(=O)Cc2csc(Cc3ccccn3)n2)CCO1 40515985 UUVJSGJAJSUKGT-GFCCVEGCSA-N 317.414 1.919 0 40 DDAB Cn1c(CN2CCC[C@@H]2c2ccsc2)cc(=O)n(C)c1=O 40528280 DRQNXCMCECCVSV-CYBMUJFWSA-N 305.403 1.483 0 40 DDAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NCCN1CC=CC1 101790648 NRDYJIMSGFJIHF-UHFFFAOYSA-N 318.801 1.770 0 40 DDAB CC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)CO)cc1 32682372 ZPMAVNZRLDHMHH-OAHLLOKOSA-N 309.406 1.308 0 40 DDAB CCOC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@H](C2)N1C(=O)OCc1ccccc1 102131115 SRKVBINFAJBQLV-AJNGGQMLSA-N 319.357 1.710 0 40 DDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1cccc(F)c1 32819569 QCDJJPRCILUTCV-MRXNPFEDSA-N 312.344 1.807 0 40 DDAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N1CCc2ccccc21 33058257 LCRZPGXSAYXECV-JSGCOSHPSA-N 301.390 1.032 0 40 DDAB O=C(NCCNS(=O)(=O)c1cccc(F)c1)c1ccco1 24442844 FVOOFAAOJYTWNL-UHFFFAOYSA-N 312.322 1.127 0 40 DDAB CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccccc1 1236630 TYXMNZHESBVJJD-MMQHEFTJSA-N 317.414 1.311 0 40 DDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@H](C)n3ccnc3)CCO2)n1 78889983 XHCAXXNFJOHQJI-NWDGAFQWSA-N 318.381 1.115 0 40 DDAB C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 78899014 WCIONPLTLWXKGF-PELKAZGASA-N 306.790 1.708 0 40 DDAB CCc1nnsc1C(=O)N[C@@H](C)C(=O)NCc1ccccc1 55346431 FPPVSZGWTSAAKN-JTQLQIEISA-N 318.402 1.535 0 40 DDAB Cc1cc(N)nc(S[C@H](C(=O)NC[C@@H]2CCCO2)C(C)C)n1 79133652 RLOPGGVMGGXTOF-AAEUAGOBSA-N 324.450 1.779 0 40 DDAB CCOC(=O)[C@H]1C[C@H](C(=O)OCC)C(=O)c2ccccc2C1=O 1632525 DQQXHVALWWDZRX-STQMWFEESA-N 318.325 1.814 0 40 DDAB CC(=O)N[C@H]1CCCN(Cc2nc3ccccc3n(C)c2=O)C1 97201623 AVGUJNINMDYDJY-ZDUSSCGKSA-N 314.389 1.034 0 40 DDAB NC(=O)[C@H](SCC(=O)O)c1ccc(Br)cc1 3299627 NIUUMLABKDFJTH-SECBINFHSA-N 304.165 1.793 0 40 DDAB O=C(O)c1cccnc1C(=O)N[C@H](C(=O)O)c1ccccc1 6344577 XPFQMHJQJPYSJN-NSHDSACASA-N 300.270 1.336 0 40 DDAB Cc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)c1 7304276 QHGOXWNPQLMPBN-CYBMUJFWSA-N 317.432 1.159 0 40 DDAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2cccc(C(N)=O)c2)cn1 84317531 MFKDILBIFGDFDT-GDBMZVCRSA-N 314.389 1.386 0 40 DDAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC[C@@H]1CCCO1 3273665 JXJLDQHXARGSBT-JTQLQIEISA-N 312.753 1.374 0 40 DDAB C[C@H](CNS(=O)(=O)c1cccc(F)c1)CN1CCCC1=O 58197405 WSKFGEZVONRVKA-LLVKDONJSA-N 314.382 1.363 0 40 DDAB C[C@@H](C(=O)N(C)CC(=O)N1CCCC1)n1cnc2ccccc21 58166265 RPFYWAHCYUBPHA-ZDUSSCGKSA-N 314.389 1.678 0 40 DDAB CN1N=C(C(=O)Nc2cc(-c3ccsc3)n[nH]2)CCC1=O 58265781 UZEMOUIGUMKROY-UHFFFAOYSA-N 303.347 1.685 0 40 DDAB C[C@@H](NC(=O)Cn1c(-c2ccccn2)noc1=O)c1ccccc1 58295130 WHZWBAXHJGYKEX-GFCCVEGCSA-N 324.340 1.776 0 40 DDAB C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O)[C@H]1C[C@@H]2CC[C@@H]1C2 101986756 OJVWXXOEBPCHRM-PPAVVJMBSA-N 307.390 1.806 0 40 DDAB COC(=O)c1ccnc(NC(=O)N(C)Cc2nccn2C)c1 96013113 STPKLXYRWALYKJ-UHFFFAOYSA-N 303.322 1.266 0 40 DDAB CCNC(=O)[C@H](C)NC(=O)c1cnn(C(C)C)c1C(F)(F)F 58355184 FTUAJBSBKRWXRQ-QMMMGPOBSA-N 320.315 1.737 0 40 DDAB CCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1 58406055 RXLWCQOIVMGLAC-NSHDSACASA-N 313.444 1.886 0 40 DDAB COc1cccc([C@H](CNC(=O)[C@H](C)n2cncn2)N(C)C)c1 45195577 ABPLELGAKZMLLH-WFASDCNBSA-N 317.393 1.267 0 40 DDAB COC(=O)C(=NNc1ccccc1Br)C(=O)OC 105252245 XATMXNXXZQPJDK-UHFFFAOYSA-N 315.123 1.563 0 40 DDAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H]3C(N)=O)cccc2c1 29353519 GIGZJWMCCYDCRA-LBPRGKRZSA-N 319.386 1.182 0 40 DDAB O=S(=O)(c1cccc(F)c1)N1CCCC[C@@H]1C1OCCO1 60348849 MREAUFLOQLVIEY-CYBMUJFWSA-N 315.366 1.742 0 40 DDAB CCO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cccnc1)CCO2 107720500 PJKMYYNJLWXELN-MCIONIFRSA-N 312.391 1.039 0 40 DDAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)Nc1cn[nH]c1 46801434 ZEGVOPFXJMQHHQ-OAHLLOKOSA-N 315.377 1.605 0 40 DDAB O=C(c1ccsc1)N1CCN(CCOC[C@H]2CCCO2)CC1 95400863 JOMVKEZHTLDJCC-OAHLLOKOSA-N 324.446 1.702 0 40 DDAB Cn1cc(CN2C[C@H]3C[C@@H](C(=O)NC4CCC4)C[C@H]3C2)cn1 107802067 BNUNCZNWCGPKMA-QKDCVEJESA-N 302.422 1.547 0 40 DDAB CCS(=O)(=O)N(C)CCCN[C@@H]1CC(C)(C)OC1(C)C 95420340 FMWOCWDGRKQWGD-GFCCVEGCSA-N 306.472 1.594 0 40 DDAB COc1ccsc1S(=O)(=O)N1C[C@H](CO)CC[C@H]1C 95454451 UWSBFCYJHFQFSU-NXEZZACHSA-N 305.421 1.538 0 40 DDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3456710 KUTNNJDDUQSYBC-HNNXBMFYSA-N 323.780 1.632 0 40 DDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2 62640107 IRKWLLDWDNWKSB-NSHDSACASA-N 323.356 1.173 0 40 DDAB CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(N)cc1 38342314 RTNTUKJYLWHQSP-UHFFFAOYSA-N 315.395 1.072 0 40 DDAB CCN(CC)CCN(CC(C)C)C(=O)C1=NN(C)C(=O)CC1 48964613 DNJQOCFYPTWKRE-UHFFFAOYSA-N 310.442 1.421 0 40 DDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)C[C@@H]1CCCCO1 110579585 WWTPRSYLRKGSTQ-XUXIUFHCSA-N 315.435 1.828 0 40 DDAB CC(C)CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 49543730 YVTTZQWFWLOADF-OBJOEFQTSA-N 313.467 1.875 0 40 DDAB biogenic Cc1nnc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)s1 95467298 PJEFEHGKZOWXOX-JTQLQIEISA-N 320.349 1.521 0 40 DDAB COc1ccc(N2C(=O)CS[C@@]23CCS(=O)(=O)C3)cc1 5183008 DBIDUCUZDRKEKS-CYBMUJFWSA-N 313.400 1.290 0 40 DDAB Cc1nc(C)c(CC(=O)N2CCC(OCC(C)C)CC2)c(=O)[nH]1 65550451 USAWFQGXYVYCPP-UHFFFAOYSA-N 321.421 1.593 0 40 DDAB CC(C)(C(=O)NOCC(=O)NCc1ccco1)c1ccccc1 65513250 HLILUOUSWWHGNZ-UHFFFAOYSA-N 316.357 1.921 0 40 DDAB CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 65538979 HILPDAGEAVQZSU-ZDUSSCGKSA-N 304.390 1.920 0 40 DDAB O=C(NCCCCCNC(=O)c1ccccn1)c1ccccn1 4559254 UXNLLMDYKVDZFN-UHFFFAOYSA-N 312.373 1.807 0 40 DDAB O=C(O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 4653697 SIZZGLHHFQZDEC-LBPRGKRZSA-N 304.302 1.145 0 40 DDAB endogenous,in-vitro Cc1ccccc1Nc1nc(N)nc(CSc2ncn[nH]2)n1 5620766 DAMGHIBFAHVJRU-UHFFFAOYSA-N 314.378 1.916 0 40 DDAB CS(=O)(=O)NCCCNc1ccc(Br)cn1 96417281 CHEJRPHZVYZLAF-UHFFFAOYSA-N 308.201 1.195 0 40 DDAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N1CCNC1=O 71837426 GPDUCJJLIDPZCT-SNVBAGLBSA-N 318.402 1.841 0 40 DDAB O=C(COC(=O)c1ccc(Cl)cc1F)NC[C@H]1CCCO1 7531656 UGKYPSVXGRCDSV-SNVBAGLBSA-N 315.728 1.931 0 40 DDAB Cc1cc(C)cc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)c1 71884452 ZPMQUZWHLSYVJK-CQSZACIVSA-N 324.446 1.211 0 40 DDAB C[C@H]1CN(C(=O)CN2CSCC2=O)C[C@H](c2ccccc2)O1 71827249 UQZNICCNIAANDJ-GXTWGEPZSA-N 320.414 1.508 0 40 DDAB Cn1ncc(NCCOCC2CC2)c(Br)c1=O 71903126 IMJFGOVOCPDLNW-UHFFFAOYSA-N 302.172 1.381 0 40 DDAB CN(Cn1ncn(C)c1=S)[C@H]1CCN(CC(F)(F)F)C1=O 71900369 JWVLHJULQBDTLJ-QMMMGPOBSA-N 323.344 1.004 0 40 DDAB CCOCCCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 8248310 POPBDSSWAWDZNJ-ZDUSSCGKSA-N 320.389 1.591 0 40 DDAB C[C@H](Cn1cccn1)NCc1ccccc1N1CCOCC1 69351328 FDGKDDVJCYBLGT-OAHLLOKOSA-N 300.406 1.898 0 40 DDAB COC(=O)CCNC(=O)c1c[nH]cc1-c1ccccc1OC 69348299 VCYSOZGTQFFCNQ-UHFFFAOYSA-N 302.330 1.983 0 40 DDAB CCCn1nnnc1C[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1 69565907 NAASGHXTEQPZAO-SAHAZLINSA-N 321.406 1.359 0 40 DDAB O=C(Nn1cnc2ccccc21)c1n[nH]c2ccccc2c1=O 69654982 FNTYZFWZOZCGQQ-UHFFFAOYSA-N 305.297 1.657 0 40 DDAB O[C@@H](COc1ccccc1)CN1CCC[C@@H]1Cn1cncn1 69630599 OFYJVMIFBXILGE-HUUCEWRRSA-N 302.378 1.182 0 40 DDAB COc1ccccc1NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 69812256 XLCYZFSYMSNRLN-QWRGUYRKSA-N 300.380 1.461 0 40 DDAB Cn1cnnc1C1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)CC1 70638988 DGCJKHLBGZEVHJ-OLZOCXBDSA-N 320.393 1.412 0 40 DDAB CN(CC(C)(CO)CO)C(=O)c1cnn(C)c1-c1ccccc1 97079724 NUCHWZKHKCXZNJ-UHFFFAOYSA-N 317.389 1.150 0 40 DDAB O=C(CCn1cnc2ccccc2c1=O)Nc1nccs1 8924294 ZEQVUQBTBLPBPJ-UHFFFAOYSA-N 300.343 1.882 0 40 DDAB CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1 19428075 DASNAPKQXXYLKE-UHFFFAOYSA-N 311.179 1.753 0 40 DDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1Cl 9156296 PPMUUVOWIQYGHJ-LURJTMIESA-N 324.797 1.809 0 40 DDAB C[C@H]1CN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCO1 72277863 UCUAGUKNBLZLFZ-CABCVRRESA-N 305.422 1.937 0 40 DDAB NS(=O)(=O)CCNC(=O)CC1CCC(c2ccccc2)CC1 72273310 WYNMVRUKAXKZCQ-UHFFFAOYSA-N 324.446 1.755 0 40 DDAB CSCCN(C)S(=O)(=O)Cc1noc2ccccc12 97137575 KDCFYKIURKLKMD-UHFFFAOYSA-N 300.405 1.952 0 40 DDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccncc1 72305570 PUUPUYSGWWLOJL-CQSZACIVSA-N 304.394 1.624 0 40 DDAB CCc1nncn1CCNC(=O)N[C@@](C)(CO)C1CCCCC1 88599844 YFERCGKLBNSPGO-INIZCTEOSA-N 323.441 1.471 0 40 DDAB Cc1noc(C)c1CN(C)S(=O)(=O)c1c[nH]c(C(C)C)n1 95961047 NTOOEZSPULTRNP-UHFFFAOYSA-N 312.395 1.959 0 40 DDAB C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1F 95963121 QIUZQSAADKKJOA-YVLXSGLVSA-N 313.394 1.653 0 40 DDAB CNC(=O)c1cccc(NCc2ccc(Cn3cncn3)cc2)n1 89392038 VCJBDCKSGCRXPC-UHFFFAOYSA-N 322.372 1.693 0 40 DDAB CCc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 24073074 ADWFRKFLUWMNKW-ZDUSSCGKSA-N 317.432 1.105 0 40 DDAB CN(C)C(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@H]12 306135633 OWHPGZSRSLKTQS-BFHYXJOUSA-N 309.435 1.466 0 40 DDAB COc1cccc(CCC(=O)N[C@]2(C(=O)O)CCSC2)c1 43509862 JPTFENHCIUWUIK-OAHLLOKOSA-N 309.387 1.704 0 40 DDAB COCCCn1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)n1 77504207 UPJVVKFFCROIDQ-CQSZACIVSA-N 321.425 1.622 0 40 DDAB CC(=O)N(CCC(=O)N1CCO[C@H](C)C1)Cc1ccccc1 78395020 XLZGTZLCPLQQLJ-CQSZACIVSA-N 304.390 1.673 0 40 DDAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 6845459 QKTGECBOBFPOAE-NXHRZFHOSA-N 318.417 1.849 0 40 DDAB biogenic CCOC[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218558591 FOCCYJDNKLSTBP-KKUMJFAQSA-N 315.410 1.708 0 40 DDAB CCOCCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)o1 72241075 QLGWAKBKRCDKKA-CQSZACIVSA-N 308.378 1.622 0 40 DDAB CCn1nc(C(F)(F)F)cc1C(=O)NCCNC(=O)C1CC1 36611791 XMSNJQNTNYFJLT-UHFFFAOYSA-N 318.299 1.178 0 40 DDAB Cc1ccc(-c2cc(C(=O)N3CCn4nc(C)nc4C3)n[nH]2)cc1 72339452 RYHCNYSDBWCRNV-UHFFFAOYSA-N 322.372 1.941 0 40 DDAB CSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCOCC1 31872371 GVSINYPEYJLMHI-XFXZXTDPSA-N 323.443 1.940 0 40 DDAB COc1ccc(CNC(=O)N2CC[C@@H](c3nccn3C)C2)nc1 565872263 AMUCEFWBFAZQOU-GFCCVEGCSA-N 315.377 1.523 0 40 DDAB C[C@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)c1ccco1 75156270 UDBMBXWIWXBYIZ-KRWDZBQOSA-N 320.389 1.610 0 40 DDAB C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccco2)C[C@@H](C)O1 226160280 MUBUEJVNWLAPBH-MBNYWOFBSA-N 306.362 1.406 0 40 DDAB COc1ccc(Cc2nnc(S[C@@H](C)C(=O)O)[nH]2)cc1OC 224974426 DCGOTNFCYWSYKY-QMMMGPOBSA-N 323.374 1.978 0 40 DDAB NC[C@@H]1CN(C(=O)NCc2ncccn2)C[C@H]1c1ccccc1 574928021 FPSOCZRLHPZSRX-CABCVRRESA-N 311.389 1.361 0 40 DDAB CN(C)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 138908476 PJRBMUBCJPSEJR-VXGBXAGGSA-N 311.432 1.406 0 40 DDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)C2)n1 46087488 JSKLBSBDTASBPH-AGIUHOORSA-N 319.361 1.751 0 40 DDAB CCc1cnc(N2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)nc1 96219702 JKVPKPWSVZZIQP-DZGCQCFKSA-N 300.366 1.241 0 40 DDAB CCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1N(C)C 96477055 AJQOSSOMISBJJF-LLVKDONJSA-N 302.415 1.977 0 40 DDAB CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]21 96043401 UPIUMDCPUWYVMO-BZUAXINKSA-N 320.437 1.172 0 40 DDAB CN1CCOC[C@]2(CCCN(C(=O)c3ccncc3F)C2)C1 96076197 ZLZLRMLYQOHJAP-MRXNPFEDSA-N 307.369 1.405 0 40 DDAB c1cncc(O[C@@H]2CO[C@]3(CCN(Cc4c[nH]cn4)C3)C2)c1 96218553 ADBODCDKPQXQIV-JKSUJKDBSA-N 300.362 1.617 0 40 DDAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H]1CCCCNC1=O 96415353 WSNITTYIPLGXET-ZANVPECISA-N 308.382 1.190 0 40 DDAB COc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2 97202375 CZEVQYFYZAOAHH-UHFFFAOYSA-N 311.267 1.857 0 40 DDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@H]3C2)nn1 96043151 YCJXBMUDKAJBTI-ZNMIVQPWSA-N 316.405 1.295 0 40 DDAB CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC 242390274 AHYIIUOXWGVNDO-BZUAXINKSA-N 311.447 1.877 0 40 DDAB CN1C(=O)CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21 252491308 LLOGJJUUHPBGKN-UHFFFAOYSA-N 324.402 1.007 0 40 DDAB CO[C@H]1CN(C(=O)c2ccc(CCN)cc2)CC[C@@]12CCCO2 257207326 BHFWPMSYYRQVAB-WMZOPIPTSA-N 318.417 1.598 0 40 DDAB C[C@@]12CCN(C(=O)c3cccc(OCCN)c3)[C@@H]1CC[C@@H](O)C2 257236219 HBGBLTCLYJNICA-KYJSFNMBSA-N 318.417 1.790 0 40 DDAB CN(C)c1cc([C@@H]2CCCN2CC2(O)CCOCC2)ccn1 257246209 ITBWEOMQUBRURN-HNNXBMFYSA-N 305.422 1.826 0 40 DDAB CO[C@@H]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)[C@H]1O 257216764 CVYPNKVTLWVHII-JFIYKMOQSA-N 303.402 1.715 0 40 DDAB Cc1cc(C(=O)O)cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 263347887 URXCYDRWOVOCRJ-GFCCVEGCSA-N 311.359 1.000 0 40 DDAB CN(C)CCN1CCN(C(=O)CCc2ccc(F)cc2)CC1 41999169 MJZVKYLNPDXLLG-UHFFFAOYSA-N 307.413 1.464 0 40 DDAB COC1(CNC(=O)N2CCS(=O)(=O)CC2)CCC(C)CC1 390834001 QFKFDGWVDNLPPS-UHFFFAOYSA-N 318.439 1.022 0 40 DDAB CCc1ccnc(CNC(=O)N2CCC[C@@H]2c2nncn2C)c1 390835545 QHMMLJDZCGOSNA-CQSZACIVSA-N 314.393 1.819 0 40 DDAB CO[C@@H]1CCN(Cc2ccnc(C)n2)C[C@H]1CC(=O)N(C)C 585276407 JNTQFQVTTVLKKN-UKRRQHHQSA-N 306.410 1.100 0 40 DDAB O=C(c1ccc2nsnc2c1)N1CC(Nc2ccncn2)C1 585148830 ISJYJSFQFGXVKN-UHFFFAOYSA-N 312.358 1.418 0 40 DDAB CCn1nc(C)cc1C(=O)N1CCn2c(COC)nnc2[C@H]1C 585097517 MPISMBNJGHEBET-LLVKDONJSA-N 318.381 1.166 0 40 DDAB Cc1cc(Br)ccc1C(=O)N[C@H]1CC(=O)N(C)C1 69456670 LGFUJQHGICTOKD-JTQLQIEISA-N 311.179 1.718 0 40 DDAB Nc1nc(SCc2nc(CCc3ccccc3)no2)n[nH]1 72304107 LTHGCAJNJYINIP-UHFFFAOYSA-N 302.363 1.847 0 40 DDAB COc1ccnc(N2CC(N3CCc4sccc4C3)C2)n1 1776000583 YVCKYAHICJLGOS-UHFFFAOYSA-N 302.403 1.794 0 40 DDAB Cc1cc(N2CCSCC2)ccc1N[C@@H](C)C(=O)NC(N)=O 51186766 JHLYKMWTEMOWKK-NSHDSACASA-N 322.434 1.544 0 40 DDAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 97106994 CLXJIJIBRWIZSW-NSHDSACASA-N 311.341 1.940 0 40 DDAB CC[C@@]1(CN(C)C)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O 5663349 NOLCGVVTJMCEHI-MRXNPFEDSA-N 309.410 1.698 0 40 DDAB Cc1cnc(-c2nc(C3CCN(C(=O)C4CC4)CC3)no2)cn1 13227811 ZDMVKDDQYQKIED-UHFFFAOYSA-N 313.361 1.951 0 40 DDAB C[C@@H](NC(=O)c1cnc(N2CCOCC2)nc1)c1ccccn1 19719863 SINJXWWWDDBSOJ-GFCCVEGCSA-N 313.361 1.199 0 40 DDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccc(Cl)c1 18043659 UPDCFPUVRJJPBA-FQPOAREZSA-N 316.744 1.792 0 40 DDAB CCN1C(=O)C(C)(C)COc2ccc(NS(C)(=O)=O)cc21 9170414 WTJYPCCUBARRMA-UHFFFAOYSA-N 312.391 1.830 0 40 DDAB Cc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)o1 574107720 JNLVOQTWIFWPSL-UHFFFAOYSA-N 316.313 1.584 0 40 DDAB O=C(c1cn(C[C@@H](O)c2cccs2)nn1)N1CCSCC1 390828277 PRMISJHGCRJBIR-LLVKDONJSA-N 324.431 1.262 0 40 DDAB Cc1cc(N2CCN(c3nccnc3C)CC2)nc(N(C)C)n1 1889078122 AXIQAFJWOYICDW-UHFFFAOYSA-N 313.409 1.276 0 40 DDAB CCN(CC)S(=O)(=O)NCCc1ccc(-n2cccn2)cc1 23437621 QYDVYKKDNVJGTG-UHFFFAOYSA-N 322.434 1.591 0 40 DDAB CCn1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)n1 2780173 MJLIPICISIKLCW-WPRPVWTQSA-N 316.199 1.963 0 40 DDAB CC[C@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 12978796 AZGUIVNYEIWFTD-BBRMVZONSA-N 306.362 1.285 0 40 DDAB COc1cccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c1F 2037983909 KLHIYIWRKGRMCS-KBPBESRZSA-N 322.380 1.513 0 40 DDAB CCOC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565547050 JTNDUVNBTHJDIR-BZUAXINKSA-N 322.380 1.948 0 40 DDAB CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O 2323172 KRWDPDYAGUBTTN-LLVKDONJSA-N 307.272 1.266 0 40 DDAB O=S(=O)(NCCc1cn2ccccc2n1)c1cccs1 4248482 XXZUDLCNSINJBM-UHFFFAOYSA-N 307.400 1.917 0 40 DDAB O=C(NCc1ccc(F)cc1)c1c(O)nc2ccccn2c1=O 8604431 ZKULUJUAGTWGLI-UHFFFAOYSA-N 313.288 1.469 0 40 DDAB COc1ccc(NC(=O)Cn2c(N)nc(C)c(C)c2=O)cc1 49410966 OJQGOYJNFKNMOY-UHFFFAOYSA-N 302.334 1.090 0 40 DDAB O=C(NCCOCCn1ccnc1)c1ccc2nsnc2c1 575619616 KSQISKMSLUOBCF-UHFFFAOYSA-N 317.374 1.334 0 40 DDAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(N)=O 20387157 WSPDFLABOCRVRX-JCGIZDLHSA-N 318.417 1.849 0 40 DDAB biogenic CC[C@H]1CN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CCO1 30852610 MMQVRRSBILLIKO-ZDUSSCGKSA-N 317.389 1.460 0 40 DDAB O=C(CCn1cncn1)NCc1ccc(N2CCCC2=O)cc1 31405581 GCZYIUBLCREUFX-UHFFFAOYSA-N 313.361 1.111 0 40 DDAB C[C@@H](NC(=O)c1nccnc1N)c1ccc2c(c1)OCCCO2 40498599 ZWEORRXZWZLEEE-SNVBAGLBSA-N 314.345 1.711 0 40 DDAB COc1cccc(CN(C)C(=O)[C@H](C)S(C)(=O)=O)c1OC 40527858 NPGLJVUATGGXJO-JTQLQIEISA-N 315.391 1.095 0 40 DDAB CC(C)c1noc(CCCC(=O)N[C@H]2CCCCNC2=O)n1 40533919 SGSVQQKWAPSBHY-NSHDSACASA-N 308.382 1.301 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1C[C@H]2C=C[C@H]1C2 101690151 RPVUQQKYFIJTBV-RWMBFGLXSA-N 309.369 1.794 0 40 DDAB OCC1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1 52243690 SRRXZQQNCVLUIU-UHFFFAOYSA-N 301.272 1.352 0 40 DDAB NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 102232939 BZKKUONTSPCGHK-UUTMEEIUSA-N 320.370 1.699 0 40 DDAB O=C(CN1CCOCC1)Nc1ccc2c(c1)OC(F)(F)O2 21822461 GLRPMDRGMCMRKG-UHFFFAOYSA-N 300.261 1.279 0 40 DDAB CCCNC(=O)CCNC(=O)C1=NO[C@H](c2ccccc2)C1 53142566 QFONXUFLLHXQPI-AWEZNQCLSA-N 303.362 1.537 0 40 DDAB Cc1csc(CNC(=O)c2ccccc2OCC(N)=O)n1 42761950 VTEUPYUTGUSIIH-UHFFFAOYSA-N 305.359 1.246 0 40 DDAB Cn1nnnc1SCC(=O)Nc1ccc(F)c(Cl)c1 31472 JHWSEQFUBWCVBS-UHFFFAOYSA-N 301.734 1.733 0 40 DDAB Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc12 478482 DECAUZVEBBDOOT-UHFFFAOYSA-N 323.356 1.767 0 40 DDAB Cc1c(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cnn1C 78992432 OFJSWYRGVUOSCI-OAHLLOKOSA-N 309.316 1.644 0 40 DDAB OCCN[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccccc1 1593687 CPENJQYCUCOIAE-SJORKVTESA-N 301.342 1.772 0 40 DDAB CN(C)CCCNc1nnc(NCCCN(C)C)c2[nH]cnc12 1692109 PSCDEVJXIRSNQM-UHFFFAOYSA-N 320.445 1.080 0 40 DDAB CN(C)S(=O)(=O)CC(O)(c1ccccc1)c1ccccc1 1692594 RNPKMKVTULLADL-UHFFFAOYSA-N 305.399 1.814 0 40 DDAB Cc1cnc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 43385810 FVYPRLXTERNGTP-NSHDSACASA-N 324.406 1.307 0 40 DDAB CN1C[C@@H](C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CC1=O 56149632 XQIIDEIWEMZBRR-HOTGVXAUSA-N 316.401 1.673 0 40 DDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 6452859 SKTPYCPVRNEAHD-SNVBAGLBSA-N 323.201 1.632 0 40 DDAB COc1ccc(C)cc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6741998 CLIWOKSOYWCYRK-RFGFWPKPSA-N 305.330 1.820 0 40 DDAB C[C@@H]1CN(C(=O)CN(C)Cc2nc3ccccc3s2)CCO1 25817141 GDVOVSFGHRAOQG-GFCCVEGCSA-N 319.430 1.975 0 40 DDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)OCCO2 57290141 VTJFAXTUNNJCPL-ZDUSSCGKSA-N 304.346 1.085 0 40 DDAB O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1C[C@H]2CC[C@H]1C2 108348834 ZQOPFRIBFCGQHX-MELADBBJSA-N 314.451 1.258 0 40 DDAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)[C@@H]1CCCO1 26400963 CXMGJESCLJUDCT-YPMHNXCESA-N 306.362 1.825 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1 58217809 TXUYKGOSYXQQDB-CABCVRRESA-N 316.401 1.897 0 40 DDAB Cc1nccn1-c1ccc(NC(=O)CN2CCSC2=O)cn1 44972332 OUBUZGAQPGOMEA-UHFFFAOYSA-N 317.374 1.683 0 40 DDAB C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)n1cncn1 44908811 IJUGAWXHZYEAON-STQMWFEESA-N 319.434 1.854 0 40 DDAB C[C@@H](Cc1ccco1)NC(=O)Nc1ccc(S(C)(=O)=O)nc1 44952685 XNTYESRDBYERCR-JTQLQIEISA-N 323.374 1.831 0 40 DDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 72281261 HEBBPYYUKPMRGP-CMPLNLGQSA-N 304.398 1.239 0 40 DDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1noc2c1CCCC2 102746707 NESKVTVBGDKCGV-ZNIXKSQXSA-N 318.373 1.871 0 40 DDAB Cc1cc(NC[C@H](O)c2ccc(F)c(F)c2)n2ncnc2n1 58378136 QMXBYNIVNYRKJP-LBPRGKRZSA-N 305.288 1.856 0 40 DDAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 58314755 YOOIGXMEUAKNJD-JTQLQIEISA-N 315.295 1.151 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](O)c1ccccc1F 58405210 ZFHJKOBCGLLMNO-HNNXBMFYSA-N 306.385 1.757 0 40 DDAB C[C@H]1CO[C@H](C)CN1C(=O)Cc1nn(C)c(=O)c2ccccc12 45447386 ILYXIGGOLRFOHM-NWDGAFQWSA-N 315.373 1.112 0 40 DDAB CC[C@@H]1CN(C(=O)Cn2cnc3c(C)cccc3c2=O)CCO1 29154294 OHNWYJOEQFOLAE-CYBMUJFWSA-N 315.373 1.342 0 40 DDAB COc1ccccc1N1CCN(C(=O)[C@@H](C)n2ccnc2)CC1 45857420 BOEDXXGZHLGSPU-CQSZACIVSA-N 314.389 1.802 0 40 DDAB CCc1nnc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)o1 46514527 ZBCVSJIGNPIRGF-NSHDSACASA-N 319.361 1.698 0 40 DDAB COc1ccc(NC(=O)COC(=O)c2cnccn2)cc1OC 3244975 VKIGJLLATAURDT-UHFFFAOYSA-N 317.301 1.289 0 40 DDAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccccc1F 10128422 AGQQKDGMRTYZJY-FZMZJTMJSA-N 324.352 1.992 0 40 DDAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 4322668 GZMDFKKLXHSWDH-SKNMWMDOSA-N 313.309 1.608 0 40 DDAB O=S(=O)(c1ccc(N2CCCCC2)cc1)N1CCOCC1 4371992 HVTPOUAIWFZYHV-UHFFFAOYSA-N 310.419 1.698 0 40 DDAB Cc1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 5418091 GOEBCRZUGIEPBQ-UHFFFAOYSA-N 303.343 1.692 0 40 DDAB CCOc1ccccc1NC(=O)C(=O)NCCCOC(C)C 4673278 NGNNLBGJMLBRST-UHFFFAOYSA-N 308.378 1.955 0 40 DDAB NC(=O)c1cccc(CN2CCC(OC[C@H]3CCCO3)CC2)c1 83407839 QXWXGDXOMZSLJK-QGZVFWFLSA-N 318.417 1.946 0 40 DDAB COc1ccc(C(=O)NC(=O)COC(=O)CCC(C)C)cc1 6839717 AHQNMCJAVYAMKS-UHFFFAOYSA-N 307.346 1.931 0 40 DDAB CCOC(=O)[C@@H]1Sc2nc3ccccc3c(=O)n2N=C1C 67334660 CNQVEYKDMXJVNJ-LLVKDONJSA-N 303.343 1.658 0 40 DDAB CCCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425681 ITHHDCQKNOLUTE-SNVBAGLBSA-N 305.382 1.070 0 40 DDAB Cc1cccc(C)c1CCNC1CCN(S(C)(=O)=O)CC1 90469066 NBBXQLYDWIYOCJ-UHFFFAOYSA-N 310.463 1.860 0 40 DDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cccn2)C1)n1cncn1 69327369 KOJCTGLJDHLVPS-KGLIPLIRSA-N 302.382 1.535 0 40 DDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC[C@@H]1CCCO1 8344102 UWHACATWHLFMOU-NSHDSACASA-N 321.764 1.345 0 40 DDAB Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C 69418534 DMFLSNMDHUJTBK-CQSZACIVSA-N 310.419 1.377 0 40 DDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCOCc1ccccc1 71829479 CJOUMZBSGXJTQU-HIFRSBDPSA-N 304.390 1.706 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1cnn(Cc2ccccc2)c1 71888301 PQOBKPCEAPRFLN-UHFFFAOYSA-N 324.344 1.314 0 40 DDAB Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)[nH]1 19937452 YFTFPYUTYJIIFP-UHFFFAOYSA-N 315.329 1.339 0 40 DDAB Cn1cc(S(=O)(=O)NCCc2cccc(F)c2F)cn1 69778158 WNDPJTUHEOEWPW-UHFFFAOYSA-N 301.318 1.219 0 40 DDAB O=C(COc1ccc(Cl)cc1)NC[C@@H]1CN(C2CC2)CCO1 69893231 ZYHXCRVIDZVZGM-OAHLLOKOSA-N 324.808 1.698 0 40 DDAB O=C(Nc1nncs1)[C@@H]1CSCN1C(=O)C1CCCC1 69918246 VCKYRUNRBIISON-VIFPVBQESA-N 312.420 1.568 0 40 DDAB CC[C@@H](COC)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 71915371 OHSGCIOMHWUGIY-CABCVRRESA-N 304.390 1.576 0 40 DDAB Cc1cnc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)s1 8735089 YPLDXKKVLKEQBC-UHFFFAOYSA-N 300.343 1.869 0 40 DDAB Cc1ccc(CNC(=O)CNC(=O)COc2ccccc2)n1C 8941644 NHFLTZPYNZOHQW-UHFFFAOYSA-N 315.373 1.145 0 40 DDAB Cc1cc(C)nc(NC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1 97143090 ZZWWPZVEOMLMQY-UONOGXRCSA-N 306.410 1.929 0 40 DDAB O=C(O)c1cc(Nc2nc3c(c(=O)[nH]2)CCCC3)ccc1O 73647922 WEEVUQWAYDQSOK-UHFFFAOYSA-N 301.302 1.796 0 40 DDAB CN(C(=O)c1ccncc1F)c1cccc(S(C)(=O)=O)c1 95452206 ZJHVWCTURWTMPR-UHFFFAOYSA-N 308.334 1.901 0 40 DDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCn2cccn2)C1 95402292 LXWUXJMQACGNEV-CQSZACIVSA-N 316.409 1.350 0 40 DDAB C[C@H]1CCC[C@H](CC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 95957918 RWRQTQQNEJJWLM-KBPBESRZSA-N 316.467 1.697 0 40 DDAB Cc1nc(C(=O)OCCN2C[C@@H](C)O[C@H](C)C2)c2n1CCCC2 95971998 ZNYLEZAUMQCWHZ-CHWSQXEVSA-N 321.421 1.794 0 40 DDAB C[C@H]1CCCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 63273524 AQDHYFYDZILMRB-JTQLQIEISA-N 314.382 1.735 0 40 DDAB Cc1nc(C(=O)NCCNc2ncccc2C(F)(F)F)no1 89718082 YYZLVUHWNUADJV-UHFFFAOYSA-N 315.255 1.634 0 40 DDAB O=C(NC[C@H]1COc2ccccc2C1)c1cc2c([nH]c1=O)CCC2 89857894 RCBFIEUFPHWSNQ-LBPRGKRZSA-N 324.380 1.845 0 40 DDAB C[C@H](NC(=O)N(Cc1ccncc1)C1CC1)c1nncn1C 89913909 IZBNXCSIFXZRKU-NSHDSACASA-N 300.366 1.645 0 40 DDAB COC(=O)COc1c(Br)cc(CO)cc1OC 34772782 VEPNEDBXCYWXNJ-UHFFFAOYSA-N 305.124 1.502 0 40 DDAB CN(C)C(=O)CN1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 306135681 OXRAWRXBBFHOED-IRXDYDNUSA-N 317.433 1.582 0 40 DDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)CC1CC1 306132803 LSNDDMSJFRELAL-BPLDGKMQSA-N 320.433 1.566 0 40 DDAB Cc1ccc(-c2ocnc2C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 529761431 CJXILJPLDAQIDP-KBPBESRZSA-N 316.357 1.920 0 40 DDAB CC(C)c1nnc(Cn2cc(S(=O)(=O)N(C)C)cn2)s1 530104685 PYCXNZFUMVMXAA-UHFFFAOYSA-N 315.424 1.157 0 40 DDAB C[C@H](O)[C@@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)O 218767505 KHVZSDPSJOQXGX-SMDDNHRTSA-N 316.361 1.012 0 40 DDAB O=C(Cc1c(F)cccc1Cl)NCCn1cccnc1=O 675008446 ZNQONEMYJSOYMB-UHFFFAOYSA-N 309.728 1.395 0 40 DDAB CCNS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)O)c1 217538067 DWPZDWVPBSWXCL-UHFFFAOYSA-N 300.380 1.751 0 40 DDAB C[C@@]1(C(N)=O)CN(C(=O)c2csc3c2CCCC3)CCO1 72379664 WVWOGTVHIUYREG-HNNXBMFYSA-N 308.403 1.343 0 40 DDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@]1(COC)C(=O)O 218516293 QKJBZRSCNKITQT-YRGRVCCFSA-N 316.350 1.444 0 40 DDAB CSCC[C@@H]1C(=O)N=C(N)N1C(=O)OCc1ccccc1 32068467 CAIGUFPOGWHYQQ-LLVKDONJSA-N 307.375 1.602 0 40 DDAB CC(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(C)[C@@H]2CO)cc1 72321454 UOXAVAPBKIPYEE-RHSMWYFYSA-N 320.389 1.562 0 40 DDAB biogenic,in-vitro CC(=O)Nc1ccc(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1 32906450 SSSKHQPYIBTFIM-NSHDSACASA-N 319.405 1.812 0 40 DDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2ccn[nH]2)C1 72385983 VESQEEFYHFTURG-NSHDSACASA-N 309.395 1.020 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cccnc3)n2)C1 72365170 MFICINKPLYEBDM-CYBMUJFWSA-N 318.402 1.678 0 40 DDAB Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1 76500826 LCPCYBJCMRFDBW-ZIAGYGMSSA-N 310.419 1.818 0 40 DDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2ccc(F)cc2)n1 77842475 MSLOAQJWTHIFGQ-UHFFFAOYSA-N 320.324 1.630 0 40 DDAB CC(C)NS(=O)(=O)c1ccc(NCc2cnn(C)c2)cc1 41160044 DJKUVIHMAFXZMD-UHFFFAOYSA-N 308.407 1.719 0 40 DDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 229800483 YMWFHSQAAOPGHO-SYQHCUMBSA-N 313.309 1.306 0 40 DDAB C[C@H]1CCCN(c2ncnc3c2cnn3C2CCNCC2)C1 228920794 NUBSVEOLOFEHCB-LBPRGKRZSA-N 300.410 1.987 0 40 DDAB CNS(=O)(=O)CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 83627216 IJPQESCCIXDUKB-LKFCYVNXSA-N 314.382 1.115 0 40 DDAB CN(C)c1nccc(=NC2CCN(c3nccs3)CC2)[nH]1 329331497 ZOLYCTZCPATEGA-UHFFFAOYSA-N 304.423 1.502 0 40 DDAB CCN(Cc1nc(N)nc(N(C)C)n1)c1ccc(F)c(F)c1 83168985 RCVAAMMOWCLWSU-UHFFFAOYSA-N 308.336 1.825 0 40 DDAB Cc1noc([C@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@H]3O2)n1 96042736 AYDUBTUTIDKGSV-RRFJBIMHSA-N 307.394 1.957 0 40 DDAB CNC(=O)CN1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1 96246120 RGPNXILOCNPXFC-LSDHHAIUSA-N 315.417 1.135 0 40 DDAB O=C(c1ccccn1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96050843 PCTMBKRDTTWOFL-KRWDZBQOSA-N 323.356 1.141 0 40 DDAB CN(C)C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224420 GOTBZMYXDGSKFJ-KRWDZBQOSA-N 316.405 1.578 0 40 DDAB CC(=O)c1cn(Cc2nc3cc(F)ccc3o2)c(=O)n(C)c1=O 96472036 IYERRPJFCMGTOW-UHFFFAOYSA-N 317.276 1.078 0 40 DDAB CN(C)C(=O)N1CC[C@H]2OCC[C@@]2(COCc2ccccn2)C1 96110419 YPJQEGDXZHECIV-WBVHZDCISA-N 319.405 1.761 0 40 DDAB CCN(C(=O)NCCc1ccco1)[C@@H](C)CS(C)(=O)=O 96405815 OLNGNBJZWRDVLO-NSHDSACASA-N 302.396 1.287 0 40 DDAB COCCN1CCN(C(=O)c2ccoc2)Cc2cccnc21 96198856 HRRWREALZFUFTR-UHFFFAOYSA-N 301.346 1.783 0 40 DDAB C[C@@H](c1ccccn1)N1CCC(N2CCS(=O)(=O)CC2)CC1 97094676 JSTOURVCDNVOBE-AWEZNQCLSA-N 323.462 1.337 0 40 DDAB COC[C@H]1CN(C)CC12CCN(C(=O)c1csc(C)n1)CC2 248137936 PFDJWOJOCHENLS-CYBMUJFWSA-N 323.462 1.882 0 40 DDAB Cc1cccc(OC[C@@H](O)CN2CC[C@@H](c3nccn3C)C2)c1 540464007 LKVVTESQLBJRLA-CVEARBPZSA-N 315.417 1.958 0 40 DDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)COC1CCCC1)C2 248145538 RSJDZHPOSDKVEG-AWEZNQCLSA-N 310.438 1.515 0 40 DDAB O=C1CCCCCN1CC(=O)N1CCC[C@H](c2cnccn2)C1 257302487 SDCMYPXGBOEETO-AWEZNQCLSA-N 316.405 1.585 0 40 DDAB Cc1nc[nH]c1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257210166 BTMVMZQZXOTFJS-HOTGVXAUSA-N 312.373 1.334 0 40 DDAB CS(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3ncco3)cn2)C1 257323296 WJNNSLDYAHKELL-NSHDSACASA-N 322.390 1.346 0 40 DDAB COCC1(NC(=O)Nc2cnn(CC(=O)OC)c2C)CCC1 252479288 BCMYTIUTRHJSCY-UHFFFAOYSA-N 310.354 1.055 0 40 DDAB COc1cc(CCC(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)on1 257313381 USDYNRWEXXXHRK-LBPRGKRZSA-N 320.349 1.247 0 40 DDAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1cc(C2CC2)on1 253473004 QYDKELKRSUJONE-UHFFFAOYSA-N 324.344 1.673 0 40 DDAB CNC(=O)c1cnn2c([C@@H]3CCN(C4CCCC4)C3)ccnc12 257236405 HBZRZEPPPBZBFK-GFCCVEGCSA-N 313.405 1.821 0 40 DDAB Cc1cc(O)nc([C@]2(C)CCCN2C(=O)c2cncnc2C)n1 257302147 SBSFWUSPITZVED-INIZCTEOSA-N 313.361 1.740 0 40 DDAB C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2ccccc2)C1 368820676 CHZMIUKBQOYNIY-DZGCQCFKSA-N 315.377 1.450 0 40 DDAB C[C@@]1(NCCNCc2cccc(F)c2)CCS(=O)(=O)C1 575423083 XZQANLRJKPZLFV-CQSZACIVSA-N 300.399 1.082 0 40 DDAB CC1CC(C(=O)N2CC[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)C1 585108246 CMLLYNNDFNJAQW-AGZZZRPFSA-N 306.450 1.992 0 40 DDAB COC1(C(F)(F)F)CN(C(=O)N=c2cc[nH]cc2N(C)C)C1 1548453235 SJEOWGWUIAKYHC-UHFFFAOYSA-N 318.299 1.365 0 40 DDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)C3CCCC3)[C@@H](C)C[C@H]21 1775964359 JCGZHSOVPYRLKZ-ARLBYUKCSA-N 322.449 1.812 0 40 DDAB biogenic,in-vitro NC(=O)c1cccc(CS(=O)(=O)Cc2nc(C3CC3)no2)c1 46137341 KSHCMVSQJHEDGT-UHFFFAOYSA-N 321.358 1.161 0 40 DDAB Cc1ccc(-n2nnc(CC(=O)N3CCOCC3)c2C)cc1 50024615 HYJGORMKALCAOI-UHFFFAOYSA-N 300.362 1.285 0 40 DDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)cc1Cl 62021744 WCSGPSZTEWEAPT-CYBMUJFWSA-N 319.810 1.788 0 40 DDAB CS(=O)(=O)[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 96098078 SMHFJVYZLPMMNH-MHCOZEDOSA-N 311.447 1.848 0 40 DDAB CO[C@H]1CCN(C(=O)c2coc(Br)c2)[C@H](CN)C1 195557537 FRNDECJAVCENBQ-UWVGGRQHSA-N 317.183 1.620 0 40 DDAB O=C(O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 271816 VIBKQPVIIPWFQU-VMPITWQZSA-N 307.327 1.856 0 40 DDAB Cn1cnc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)c1 1615142284 BTWBXBIPDQJIAP-QGZVFWFLSA-N 319.380 1.365 0 40 DDAB COC(=O)CCCNC(=O)/C=C/c1cc(OC)ccc1OC 16011124 DCEMVPBQSBMFRS-RMKNXTFCSA-N 307.346 1.786 0 40 DDAB CC(C)Cc1nc2n(n1)[C@@H](C(=O)NCc1ccco1)CC(=O)N2 17054237 PLVDFHXPUJVYSD-LLVKDONJSA-N 317.349 1.269 0 40 DDAB Cc1cc(C)cc(NC(=O)CSc2nc(O)cc(=O)[nH]2)c1 17835848 XHYRDIMRCMOFQU-UHFFFAOYSA-N 305.359 1.823 0 40 DDAB CNC(=O)Cc1noc(C2(c3ccc(C)cc3)CCOCC2)n1 163138835 BSVXGDSVHXONHR-UHFFFAOYSA-N 315.373 1.763 0 40 DDAB O=C(NOCc1cccnc1)N1CCC[C@@H]1Cn1ccnc1 167152737 IHRYQYKUKFXJKA-CQSZACIVSA-N 301.350 1.584 0 40 DDAB O=C([C@@H]1CSCN1)N1CCC(OCCc2ccccc2)CC1 154805429 WDINYWJZSQJQPV-INIZCTEOSA-N 320.458 1.899 0 40 DDAB NCC1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 36296643 DHLLHECLEOAFSI-UHFFFAOYSA-N 312.420 1.772 0 40 DDAB O=C1[C@H](N2CCC[C@H](COc3ncccn3)C2)CCN1C1CC1 1849062664 UKDYAXHMUVKULC-DZGCQCFKSA-N 316.405 1.331 0 40 DDAB O=S(=O)(C1CC1)N1CCN(c2cc(C3CCC3)ncn2)CC1 1888844214 BUZZJFFKHGDMOT-UHFFFAOYSA-N 322.434 1.358 0 40 DDAB O=C(NC1CC1)[C@H]1CN(c2nc3cnccc3s2)CCO1 1889085881 AQLYKTKHBQOVDI-LLVKDONJSA-N 304.375 1.175 0 40 DDAB COc1cc(C(=O)N2CCC3(CC2)OCCO3)cc(OC)c1C 24995591 FRUOUGSIWYCAMZ-UHFFFAOYSA-N 321.373 1.991 0 40 DDAB C/C=C\C(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9120835 IMKNHJHTOBQMFS-OTDNITJGSA-N 304.302 1.433 0 40 DDAB COc1cc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)on1 2055773003 IPOBQBACGJRNCW-UHFFFAOYSA-N 314.345 1.592 0 40 DDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)C2=CCCCC2)C1 2055772082 VGWANNPBIGJLRW-KRWDZBQOSA-N 316.405 1.447 0 40 DDAB Cc1ccccc1OCC(=O)N1CCN(c2cnsn2)CC1 585148796 IPVULKPENNVFEB-UHFFFAOYSA-N 318.402 1.574 0 40 DDAB CCn1cc(Br)c(C(=O)N2CCN(C)CC2)n1 54969035 GIBUCTXHBYKMRY-UHFFFAOYSA-N 301.188 1.053 0 40 DDAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)O)[C@]1(C2)NC(=O)c2cccnc2N1 72342734 MOLUQBOUIQINHD-PYQPOECBSA-N 301.346 1.844 0 40 DDAB CCOC(=O)c1ccc(Nc2n[nH]c3nnc(C)c(=O)n23)cc1 101230709 YEYHQOCSVSRIRU-UHFFFAOYSA-N 314.305 1.041 0 40 DDAB CN1CCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 50038958 XLDGQBSOIDBJBZ-UHFFFAOYSA-N 318.299 1.609 0 40 DDAB CCc1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)o1 31935544 TVLHYMBBLUANBT-MRXNPFEDSA-N 324.446 1.780 0 40 DDAB CCCCn1c(N)c(N(CC)Cc2cc(C)on2)c(=O)[nH]c1=O 21387995 YLKGWMGGHPFUQN-UHFFFAOYSA-N 321.381 1.242 0 40 DDAB OC1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 32758534 XPPDKDNYTBMUDL-FUHWJXTLSA-N 305.418 1.898 0 40 DDAB Cc1nn2c(=O)cc(CN(C[C@@H]3CCOC3)C3CC3)nc2s1 52774805 WFNMZRLLWDYJBK-NSHDSACASA-N 320.418 1.460 0 40 DDAB CCNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 479472 UQSHCCZHQIXYBF-UHFFFAOYSA-N 312.435 1.690 0 40 DDAB CN1CCN(Cc2ccccc2CNC(=O)c2cccnc2)CC1 41617713 VRFHTAKVXLWQMF-UHFFFAOYSA-N 324.428 1.759 0 40 DDAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCC[C@H](O)C1 104462231 UJBVJAMUWCLMCF-MWDXBVQZSA-N 309.450 1.813 0 40 DDAB Cc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 23390251 BTCUOGZIKHGCCM-LLVKDONJSA-N 319.386 1.528 0 40 DDAB C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 47747313 WDUCYUGCKFHAMC-UWVGGRQHSA-N 313.375 1.068 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)c2cccnc12 89626944 QMCUOUPRNNQNSN-LBPRGKRZSA-N 306.387 1.953 0 40 DDAB NC(=O)C1(NC(=O)Cc2ccc3c(c2)OCCO3)CCCCC1 78390239 OFTJHWQXVNCQFU-UHFFFAOYSA-N 318.373 1.305 0 40 DDAB O=C(NCCn1cccc1)c1c[nH]c(=O)c(Br)c1 78998009 LXERZFFWHSKCAT-UHFFFAOYSA-N 310.151 1.369 0 40 DDAB C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)c[nH]2)C[C@@H](C)O1 25194831 PDTQCZNRUAOASM-DTORHVGOSA-N 300.742 1.461 0 40 DDAB CCn1ccnc1CN1CCN(c2nccc(OC)n2)C[C@H]1C 107048272 AFWLXJAXDHIBIW-CYBMUJFWSA-N 316.409 1.412 0 40 DDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccccc2)CC1 26097806 SZEGOCKWWDWDBW-BQYQJAHWSA-N 308.403 1.240 0 40 DDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCC(F)(F)F 107504831 ADPLCGBFTOTHFV-JLLWLGSASA-N 323.359 1.290 0 40 DDAB C[C@@H]1CCO[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O 96005868 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O=C1CC[C@@H](C(=O)NC2(C(=O)NC3CCCC3)CCCCC2)N1 2457459 ZEOOYAXDKLQXIB-ZDUSSCGKSA-N 321.421 1.143 0 40 DDAB O=C(Cn1ncc2ccccc2c1=O)NOCc1ccccc1 29009316 MLEWSMHXMVAVIV-UHFFFAOYSA-N 309.325 1.645 0 40 DDAB O=C(c1ccoc1)N1CCN(C(=O)c2c(O)cccc2F)CC1 119404820 ZUIFUHONQYAFCP-UHFFFAOYSA-N 318.304 1.723 0 40 DDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(OC)cc1 2633722 DHOPVEMFAVRRKV-FZMZJTMJSA-N 307.394 1.437 0 40 DDAB O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCNCC1 59417480 FSVAAOFTNOVNEF-UHFFFAOYSA-N 309.797 1.072 0 40 DDAB CCN1CC2(CCC1=O)CCN(C(=O)C1CCOCC1)CC2 108533358 WGPPQFCMCMQSRK-UHFFFAOYSA-N 308.422 1.664 0 40 DDAB CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCc3c2cnn3C)C1 47490571 CUNZCEGUGHOOLP-OCCSQVGLSA-N 304.394 1.172 0 40 DDAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccncc1 13072260 HQIZPBUPJKBAEH-SNVBAGLBSA-N 306.343 1.819 0 40 DDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)N)C1 63194130 IOPXPPDODXMDHO-XJFOESAGSA-N 303.472 1.411 0 40 DDAB CCN(CC)c1ncc(CN2C[C@H]3OCCN(C)[C@@H]3C2)s1 93641387 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323.412 1.035 0 40 DDAB CCOc1ccnc(N2CCN(C(=O)c3occc3C)CC2)n1 69665139 OJONTZBYNIALGR-UHFFFAOYSA-N 316.361 1.739 0 40 DDAB Cn1cc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)cn1 69668036 REIJJHWHRDJYQU-QGZVFWFLSA-N 318.396 1.410 0 40 DDAB COc1cc([C@@H]2NC3(CCCC3)C(=O)N2C)cc2c1OCCO2 69774628 MOBSVOHSKNVVFP-OAHLLOKOSA-N 318.373 1.839 0 40 DDAB Clc1cc(CN[C@H]2CCc3ncnn3C2)cc2c1OCO2 69843639 CTALZIFGEISBHE-JTQLQIEISA-N 306.753 1.765 0 40 DDAB CCOCCN1CCN(CCC(=O)N2CCCCC2)C[C@@H]1C 69810372 BBCDERHMDJXWHH-INIZCTEOSA-N 311.470 1.432 0 40 DDAB O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccco1 8661249 SPDKIWNZHODTMC-UHFFFAOYSA-N 319.342 1.051 0 40 DDAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCO1 9668483 YUMSDFJDPKMKDU-SWLSCSKDSA-N 318.373 1.713 0 40 DDAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1 18231113 IYOGSYDMURNZGY-STQMWFEESA-N 315.373 1.894 0 40 DDAB C[C@@H]1CN(S(=O)(=O)NCC2(O)CCCCCC2)C[C@@H](C)O1 87089636 MBOPJUUSISNIFP-CHWSQXEVSA-N 320.455 1.015 0 40 DDAB Cc1c(Cl)cccc1NC(=O)c1cn(C)c(=O)n(C)c1=O 96746924 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CCS(=O)(=O)CCN(C)C(=O)CSc1ccc(F)cc1 89374098 RJEHKCPXLFWRMJ-UHFFFAOYSA-N 319.423 1.811 0 40 DDAB CCCS(=O)(=O)CCN1CCN(C)CC12CCCCC2 84758670 GVRWSHBZVFQAMA-UHFFFAOYSA-N 302.484 1.762 0 40 DDAB COCCOc1ncccc1C(=O)N[C@H](C)C1=CCN(C)CC1 95469070 VDAPNXPWMXAEIA-CYBMUJFWSA-N 319.405 1.487 0 40 DDAB CC(C)(C)[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)O 95424664 MUTQTTOIGQRIPP-GXFFZTMASA-N 304.346 1.728 0 40 DDAB COc1ccc(S[C@@H](C)C(=O)N2CCN(C)CC2)cc1OC 20486584 XXTDCWHJNPHUSC-LBPRGKRZSA-N 324.446 1.958 0 40 DDAB CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113940975 GNCYSIVOIVRWQB-QWRGUYRKSA-N 316.398 1.895 0 40 DDAB COc1ccc(CNC(=O)c2cccc(-n3nnnc3C)c2)cc1 71285177 SGHDFXKGVKZELW-UHFFFAOYSA-N 323.356 1.909 0 40 DDAB O=C(O)CSCCNC(=O)Cc1cc2ccccc2nc1O 532256389 VHIFLZWUXOBMGT-UHFFFAOYSA-N 320.370 1.417 0 40 DDAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccccn3)no2)o1 78773803 DOJPQCVKXYGZNM-UHFFFAOYSA-N 306.303 1.300 0 40 DDAB CC(=O)c1cccc(N(CC(=O)NC(C)C)S(C)(=O)=O)c1 33629379 MSQFTPACJUUYGD-UHFFFAOYSA-N 312.391 1.180 0 40 DDAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1cc(C)ccc1OC 36741474 GXVUPCUUSAAFLZ-INIZCTEOSA-N 320.433 1.773 0 40 DDAB CS(=O)(=O)N1CCC[C@H](c2cnc(-c3cccnc3)cn2)C1 72365171 LWLHKAGDKUTLJW-ZDUSSCGKSA-N 318.402 1.678 0 40 DDAB CCCNC(=O)CN1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 180693445 SBDLAKGOZNCRSF-JMSVASOKSA-N 314.451 1.353 0 40 DDAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCC(C(N)=O)CC2)cc1 40460156 DSCHBXCPEBTSCP-LLVKDONJSA-N 317.389 1.414 0 40 DDAB Cc1cc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)nn1C 89273774 OXUBZBRINAEWPJ-CYBMUJFWSA-N 307.398 1.057 0 40 DDAB CC(C)N(CC1CCC1)C(=O)N[C@@H](C)CN1CCN(C)CC1 193628832 GMPPCBXCLBIZGD-HNNXBMFYSA-N 310.486 1.842 0 40 DDAB COc1ccccc1-n1cnnc1[S@](=O)C[C@H]1CCCCO1 86308712 SAWDAIODNVAOCY-IPQOISQHSA-N 321.402 1.953 0 40 DDAB COC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2C(C)(C)C 195574048 FAFNKOMYIMUSDS-NSHDSACASA-N 303.366 1.723 0 40 DDAB Cc1cccc2c1cnn2CCC(=O)NCCN1CCCC1 40769032 PJQVBNTULCSBER-UHFFFAOYSA-N 300.406 1.947 0 40 DDAB NC[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)S1(=O)=O 222537702 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0 40 DDAB COCCN(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 40528027 JFARCAJQQNQBEA-UHFFFAOYSA-N 309.391 1.257 0 40 DDAB CNC(=O)NC(=O)CN(C)Cc1ccc(OC(F)(F)F)cc1 32777481 FPTSHWFAPVGKTI-UHFFFAOYSA-N 319.283 1.473 0 40 DDAB CCCNC(=O)[C@H](C)NC(=O)Cc1coc(-c2ccccc2)n1 32836737 TUQVNGAQVFJYIX-LBPRGKRZSA-N 315.373 1.915 0 40 DDAB O=C(COC(=O)c1ccco1)Nc1ccc2[nH]c(=O)[nH]c2c1 32942924 DGEWPAAZBTXXNI-UHFFFAOYSA-N 301.258 1.245 0 40 DDAB NC(=O)NCC(=O)NCCC(c1ccccc1)c1ccccc1 33028555 HPEYSIYXLZGECY-UHFFFAOYSA-N 311.385 1.993 0 40 DDAB CC[C@]1(C)Cc2c(sc3c2c(=O)n(C)c2nncn32)CO1 506597 XYAFKMHNZMBPNL-CQSZACIVSA-N 304.375 1.884 0 40 DDAB CC(C)(C)OC[C@@H](O)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104003860 SKKYDNDIAARCMO-KKUMJFAQSA-N 320.433 1.443 0 40 DDAB COc1ccc2cc(CNC(=O)[C@@H](C)NC(C)=O)ccc2c1 22700118 FWZMFXRBWMKZRP-LLVKDONJSA-N 300.358 1.989 0 40 DDAB O=C(Nc1nc[nH]n1)[C@H]1CCCN(C(=O)c2cccs2)C1 23140729 CCNQFSLLLQFIDM-VIFPVBQESA-N 305.363 1.357 0 40 DDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 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Cn1ccc(NS(=O)(=O)c2ccccc2Br)n1 12535994 ZKZSMSMDPFNLHZ-UHFFFAOYSA-N 316.180 1.983 0 40 DDAB Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 4968659 YULNPSNOBWVPIQ-UHFFFAOYSA-N 309.347 1.234 0 40 DDAB Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)OCCO2 4970383 MTNDBSNEAPNMLT-UHFFFAOYSA-N 306.343 1.962 0 40 DDAB COC(=O)[C@H](C)CN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 108123056 QJUFMFFQCDOSBU-ZIAGYGMSSA-N 318.417 1.701 0 40 DDAB COC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 8553371 OQFZTIKWMRRYSB-RNJOBUHISA-N 317.297 1.066 0 40 DDAB O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(N2CCNC2=O)c1 57554275 VFSLTFZGRMITSB-ZDUSSCGKSA-N 314.389 1.183 0 40 DDAB COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2ccsc2n1 27561240 SICQTARJMQGXEU-NSHDSACASA-N 307.375 1.284 0 40 DDAB C[C@@H]1CN(Cc2cccc(CNC(=O)NC3CC3)c2)CCO1 58183381 AEEVHMZAHUEVJV-CYBMUJFWSA-N 303.406 1.869 0 40 DDAB O=C(O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 89774493 LKWYYGZTNAAOGT-CQSZACIVSA-N 316.357 1.260 0 40 DDAB Oc1ccc(C2=CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 58391970 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C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 100187908 UPAAXCOGBXELPE-BHTHQVBYSA-N 303.289 1.021 0 40 DDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C=O)CC3)c2c1 12388900 TZPJWBCWGBDTKP-HNNXBMFYSA-N 317.345 1.076 0 40 DDAB CN(CC(N)=O)Cc1csc(COc2ccc(F)cc2)n1 47628551 RQTRXRKUZCSVBY-UHFFFAOYSA-N 309.366 1.778 0 40 DDAB CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1 48104529 GBVVHAZLBWZVLS-CQSZACIVSA-N 305.378 1.813 0 40 DDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc(C)cn1 23038391 DPJYMVURZDLUIY-UHFFFAOYSA-N 323.356 1.684 0 40 DDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1cccc(Cl)c1 3308077 VKBYXGTUBNZURY-UHFFFAOYSA-N 306.705 1.769 0 40 DDAB Cc1cc(=O)n2nc(NCCCOC[C@@H]3CCCO3)sc2n1 48325557 LVNMWLSNSPTJPT-NSHDSACASA-N 324.406 1.457 0 40 DDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)C(C)C)c1C 3545949 OPUQVIYQZUYSFP-JTQLQIEISA-N 324.377 1.736 0 40 DDAB Nc1nccnc1C(=O)OCC(=O)NCc1ccccc1Cl 3508774 WQNQBJAINBHEBB-UHFFFAOYSA-N 320.736 1.185 0 40 DDAB CCN(CC)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 49126497 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C[C@@]12C[C@H]3[C@H]4[C@@H](n5c(=O)n(-c6ccccc6)c(=O)n53)[C@@]1(C)[C@@]42C 104290737 CTIJZJVAEPNQFT-DICORPIPSA-N 309.369 1.963 0 40 DDAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)no1 44896807 SSVXXCDTEYUHQH-ZDUSSCGKSA-N 317.345 1.554 0 40 DDAB Cc1c(C(N)=O)sc2nc(COc3ccccc3)[nH]c(=O)c12 44979406 HXABGRHELUVDNE-UHFFFAOYSA-N 315.354 1.971 0 40 DDAB CC(C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(C(F)(F)F)cn1 44948254 ILTPCMCFXFOFDJ-MRVPVSSYSA-N 324.324 1.787 0 40 DDAB COC(=O)NCC(=O)N(C)CC(=O)Nc1ccccc1Cl 44973733 ZELQPDCJDIWNFT-UHFFFAOYSA-N 313.741 1.093 0 40 DDAB NCC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 36296727 IJOKVACXAMMFAI-UHFFFAOYSA-N 306.790 1.839 0 40 DDAB O=c1[nH]n([C@H]2C=C[C@H]3[C@@H]2[C@H]2C=C[C@H]3C2)c(=O)n1-c1ccccc1 100350038 FQVQAXRHYGQZAT-NRLBWEKTSA-N 307.353 1.877 0 40 DDAB C[C@H](NS(=O)(=O)CCn1cnc2ccccc21)[C@H]1CCCO1 28327777 KGSPTHUKYFQYIQ-SWLSCSKDSA-N 323.418 1.523 0 40 DDAB COC(=O)CCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58759764 IFPZWKXJMGQYAN-UHFFFAOYSA-N 321.373 1.805 0 40 DDAB O=C(NCc1ccccc1-n1cccn1)c1nc2ncccn2n1 36618776 JODTYXRUFLROIN-UHFFFAOYSA-N 319.328 1.240 0 40 DDAB COCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 29250353 ZESHBXJVDIHFRL-UHFFFAOYSA-N 312.369 1.771 0 40 DDAB COCCn1c(SCc2nnnn2C2CC2)nc(C)c1C 46028861 GZXLPRGPCCCFIC-UHFFFAOYSA-N 308.411 1.760 0 40 DDAB C[C@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CCO1 29986151 HUWAHBPODPJNPI-LBPRGKRZSA-N 315.373 1.493 0 40 DDAB O=S(=O)(NC1CC2(CCN(Cc3cccnc3)C2)C1)C1CC1 108532812 JLVLNUCGQXJUTE-UHFFFAOYSA-N 321.446 1.518 0 40 DDAB C[C@H](NC(=O)Nc1ccc(-n2cncn2)nc1)[C@H]1CCCO1 48133275 DBAJMZVNSDYAKL-CMPLNLGQSA-N 302.338 1.351 0 40 DDAB C[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)C1 28576410 DQHFUSVUXSHUTD-STQMWFEESA-N 315.377 1.688 0 40 DDAB COCCOCCCNS(=O)(=O)c1cccc(Cl)c1 48381807 LCMCCZRROJUHJD-UHFFFAOYSA-N 307.799 1.671 0 40 DDAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 3487638 PZVCKCHNYKFGAI-ZDUSSCGKSA-N 319.361 1.600 0 40 DDAB CCCCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594684 LBLIUMMEUVJXBN-KRWDZBQOSA-N 315.373 1.296 0 40 DDAB O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CC=CCC1 12989690 QKUPRHKQJDPISW-CQSZACIVSA-N 301.390 1.891 0 40 DDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1C[C@H]2C=C[C@@H]1C2 170613083 RPVUQQKYFIJTBV-YNEHKIRRSA-N 309.369 1.794 0 40 DDAB C[C@@H](NC(=O)N(Cc1ccccn1)C1CC1)c1nncn1C 65443982 BDVRVHNBQDPUEF-LLVKDONJSA-N 300.366 1.645 0 40 DDAB CCCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O 14077180 XDNAAVNQUDASDW-UHFFFAOYSA-N 303.362 1.658 0 40 DDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](O)c1ccc(F)cc1F 65591374 ALKHPOYEYGJLDP-HNNXBMFYSA-N 324.375 1.896 0 40 DDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1 14221014 PNXMFHCCCIRRCE-QMTHXVAHSA-N 312.391 1.491 0 40 DDAB CC(=O)c1cccc(OC[C@@H](O)CNCC(C)(C)CN(C)C)c1 6548828 SWVJLLXHTRPJLS-INIZCTEOSA-N 322.449 1.806 0 40 DDAB CCOc1cccc(CCNC(=O)N2CCN(CC)CC2)n1 95416260 NYEYPPHXDXDEKT-UHFFFAOYSA-N 306.410 1.370 0 40 DDAB CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)on1 96412835 DFLDLHXFFZFBKI-VHSXEESVSA-N 300.380 1.446 0 40 DDAB Cc1nc(-c2cn(CCN)nn2)n(-c2ccc3c(c2)CCC3)n1 67756709 HJSJGHQHMKTFEG-UHFFFAOYSA-N 309.377 1.282 0 40 DDAB CCc1nc(CNC(=O)NCCNC(=O)C2CCCC2)cs1 71886658 HACPVMPKHSBNKS-UHFFFAOYSA-N 324.450 1.811 0 40 DDAB CS(=O)(=O)NCCCNC(=O)C[C@H]1CCCc2ccccc21 71888236 BKFKRSDGJCNVHW-CQSZACIVSA-N 324.446 1.552 0 40 DDAB O=C(c1sccc1-n1cnnn1)N1CCN2CCCC[C@@H]2C1 71839670 QYDWDQDFTUJZRH-LLVKDONJSA-N 318.406 1.034 0 40 DDAB CCOC(=O)CSCC(=O)NCc1ccc2c(c1)OCO2 7506514 UAPDZGMMGZFEQI-UHFFFAOYSA-N 311.359 1.328 0 40 DDAB CC(C)C(=O)NC[C@H]1CCCN(CC(=O)NCC(F)(F)F)C1 69370077 KUPAJQSBIJPTFG-LLVKDONJSA-N 323.359 1.149 0 40 DDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 8395201 MFEKDMIBJKRBDT-QWRGUYRKSA-N 308.403 1.848 0 40 DDAB C[C@H](C(N)=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69419883 DJQISWVTFVWEFN-SECBINFHSA-N 313.760 1.111 0 40 DDAB Cc1ccccc1C1(CNC(=O)N2CCC(C(N)=O)CC2)CC1 69668841 ZWERYEBKSWMBCF-UHFFFAOYSA-N 315.417 1.934 0 40 DDAB CCOc1ccnc(N2CCCN(Cc3ccnn3C)CC2)n1 91959536 YGQMECNUWYPIOX-UHFFFAOYSA-N 316.409 1.321 0 40 DDAB Cc1nn(-c2ccccc2)cc1C(=O)N1CCn2c(C)nnc2C1 69742855 JDKFTOBQOIBQOB-UHFFFAOYSA-N 322.372 1.737 0 40 DDAB c1cnnc(N2CCC[C@@H](NCc3cccc4c3OCO4)C2)c1 69737726 LYJKZJCCYRLWFB-CQSZACIVSA-N 312.373 1.964 0 40 DDAB C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H]1Cn1cccn1 69893168 UINPYOUJKFKVEU-QWHCGFSZSA-N 300.366 1.165 0 40 DDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)cn1 69968248 ZFJALDHYYFXYFQ-JTQLQIEISA-N 304.375 1.558 0 40 DDAB CN(C)c1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 8708160 LWVVDAUJVULUPK-UHFFFAOYSA-N 308.345 1.981 0 40 DDAB C[C@H]1CN(CC2CCN(Cc3cn(C)nn3)CC2)C[C@H](C)O1 95445417 RNHWHVJEMWHHKJ-KBPBESRZSA-N 307.442 1.136 0 40 DDAB Cc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1 8844434 OHFGHPADWCCLBV-NSHDSACASA-N 303.405 1.232 0 40 DDAB Cc1noc(C)c1CNC(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270373 PEZMWUPEZPPSJF-ZDUSSCGKSA-N 317.393 1.510 0 40 DDAB CNS(=O)(=O)Cc1cccc(CNc2cncc(C)n2)c1 97140672 WPNLVMYUDNNPBB-UHFFFAOYSA-N 306.391 1.446 0 40 DDAB C[C@H](NC(=O)N1CCC(c2cncn2C)CC1)c1ccn(C)n1 1548454003 RUWDRXXDYPKRFY-LBPRGKRZSA-N 316.409 1.804 0 40 DDAB CN(CCn1cccn1)c1ccc(S(=O)(=O)C(C)(C)C)nc1 95965305 VPIBLWKTILIZOK-UHFFFAOYSA-N 322.434 1.987 0 40 DDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 95963168 MMSLTBQYRSPRRT-ABKXIKBNSA-N 316.361 1.310 0 40 DDAB CCCN(CC(=O)c1cc(C)[nH]c1C)[C@@H]1CCS(=O)(=O)C1 95992439 KMSOKFCCMMUXFD-CYBMUJFWSA-N 312.435 1.713 0 40 DDAB O=C(CCc1nc(C2CC2)no1)NC1(C(=O)O)CCCCC1 95969538 DNMDCZQZFIFHQR-UHFFFAOYSA-N 307.350 1.783 0 40 DDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H]1CCC[C@H]1O 95979193 ASTPZEJINGUMKM-NWDGAFQWSA-N 319.327 1.634 0 40 DDAB CCc1n[nH]c([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 89289741 XKWADQPBYAYORG-GFCCVEGCSA-N 320.418 1.961 0 40 DDAB CCc1cc(NC(=O)c2cccc(-n3cnnn3)c2)nc(C)n1 76041092 BFALATOGZUALME-UHFFFAOYSA-N 309.333 1.575 0 40 DDAB C[C@H]1CN(C(=O)CO[C@H]2CCC[C@@H](C)C2)C[C@H]1N1CCOCC1 76052715 PCRDHRXASOIXMU-LTIDMASMSA-N 324.465 1.761 0 40 DDAB CN(Cc1cccc(O)c1)S(=O)(=O)NCc1ccccc1 71388850 VMQFAFVAISJVHG-UHFFFAOYSA-N 306.387 1.859 0 40 DDAB CC(C)c1cc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n[nH]1 77139982 GGZYHYYQYIRBGB-QWRGUYRKSA-N 313.423 1.619 0 40 DDAB Cc1nnnn1-c1cccc(C(=O)NCCc2ccccc2)c1 71284262 NBBHSFSVXQYPFD-UHFFFAOYSA-N 307.357 1.943 0 40 DDAB CCn1nc(C)cc1CNC(=O)c1ccc(Cn2cccn2)o1 226745263 VJQABMUIFUTQAN-UHFFFAOYSA-N 313.361 1.979 0 40 DDAB CSC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1 75157292 VULVBVCDOXGAGY-NSHDSACASA-N 309.840 1.732 0 40 DDAB O=C(Cc1ccccc1)NCc1nccc(N2CCOCC2)n1 224169513 FXTSHXVMGNLQFV-UHFFFAOYSA-N 312.373 1.172 0 40 DDAB COc1ccc(-c2noc(CN3CCCNCC3)n2)cc1OC 45795987 ZDLWCFXEPRUBEG-UHFFFAOYSA-N 318.377 1.549 0 40 DDAB O=C(NCCCN1CCCC1=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 222439728 BACRQQONENZAGR-MYZSUADSSA-N 320.389 1.028 0 40 DDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)c1ccc2ccccc2n1 193934232 XMECQBOHHVIZLH-NSHDSACASA-N 321.402 1.478 0 40 DDAB CN(C)C(=O)CCNC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 223297436 OEVWLLFLATUVKZ-MRXNPFEDSA-N 321.352 1.303 0 40 DDAB Cc1cc(C(=O)N[C@H]2C[C@@H]3C(=O)Nc4ccccc4N3C2)no1 225627356 NEHRVNPXJIUVJJ-IINYFYTJSA-N 312.329 1.312 0 40 DDAB Cc1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1O 96452135 HCRVDYVIWLYHHG-UHFFFAOYSA-N 309.329 1.858 0 40 DDAB COCC(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238781 WIKYRKQZBVZWRA-INIZCTEOSA-N 306.337 1.428 0 40 DDAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1 96038677 CBQQJLBASCFMKM-GDBMZVCRSA-N 323.462 1.957 0 40 DDAB O=C(NC1CC1)N1CC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96219219 VTMKSFACCPWNIM-LRDDRELGSA-N 320.368 1.738 0 40 DDAB O=C(c1ccncc1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 96073270 UNAFQIQJXAZAMZ-INIZCTEOSA-N 315.417 1.941 0 40 DDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccoc2)C3)CC1 96201079 OEDWNTKDLFWYNU-UHFFFAOYSA-N 315.421 1.239 0 40 DDAB CCCCCCN1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514290260 WVLJRFDOYRXACB-HIFRSBDPSA-N 324.446 1.990 0 40 DDAB biogenic,in-vitro Cn1cc(CN2CC[C@H]3[C@H]2CCN3CC2CCOCC2)cn1 96184428 ZIGHXEOVLOXHTJ-DLBZAZTESA-N 304.438 1.495 0 40 DDAB Cc1cc(C[S@](=O)CCS(=O)(=O)c2ccccc2)on1 95453963 AMUWWFMUPKMGEQ-IBGZPJMESA-N 313.400 1.706 0 40 DDAB O=C(CN1CCC(Oc2ccc(F)cc2)CC1)N1CCOCC1 96406617 OTCFVKBEGTWVDJ-UHFFFAOYSA-N 322.380 1.528 0 40 DDAB Cn1cc(C[C@H]2[C@H](O)CCN2C(=O)CCc2ccccc2)cn1 96069855 LXRQZRKLXVWKDT-DLBZAZTESA-N 313.401 1.557 0 40 DDAB CN1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 96249552 VKWWPXVECTVGHP-VXGBXAGGSA-N 316.448 1.089 0 40 DDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 248322503 WLVOPPJAHJONLV-AWEZNQCLSA-N 320.389 1.505 0 40 DDAB CN(C)Cc1cnc([C@@H]2CN(Cc3ccncc3)CCO2)[nH]1 257284097 PBFUXYSSTOJJPQ-HNNXBMFYSA-N 301.394 1.440 0 40 DDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85466973 KILQNEPKFRMLRT-INIZCTEOSA-N 324.446 1.072 0 40 DDAB Cc1ocnc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257221246 DOCMFAUSBJTOMJ-INIZCTEOSA-N 316.361 1.139 0 40 DDAB Cc1nnsc1C(=O)NCc1cncc(N2CCCC2=O)c1 575621113 XXYOABUPBAKHCC-UHFFFAOYSA-N 317.374 1.298 0 40 DDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCN1c1nccs1 72278856 JWMHGVGOASFBIM-NEPJUHHUSA-N 317.418 1.440 0 40 DDAB Cc1nccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 172821323 YTUAQYJDJMLCHN-UHFFFAOYSA-N 318.402 1.296 0 40 DDAB COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 172342867 VDEQDWAXBYPURZ-KRWDZBQOSA-N 322.405 1.652 0 40 DDAB Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)N(C)C 79101448 AMBWRINGYZVWBF-ZDUSSCGKSA-N 303.362 1.013 0 40 DDAB CC1CCN(S(=O)(=O)NCc2ccnc(N(C)C)c2)CC1 40087750 CRBCYWKONRZFGZ-UHFFFAOYSA-N 312.439 1.214 0 40 DDAB CC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377515 QVYBUVOFNKNWNZ-SCVCMEIPSA-N 302.252 1.497 0 40 DDAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccncc1 12523539 GGSNWLLPMVVAIK-UHFFFAOYSA-N 324.134 1.806 0 40 DDAB Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H](C(N)=O)C1 13095369 KHQWBUNKVTUYMQ-LLVKDONJSA-N 309.797 1.784 0 40 DDAB Cn1cncc1CN1CCOC[C@@](O)(COc2ccccc2)C1 643914293 OAMQMSXCDGKIOS-QGZVFWFLSA-N 317.389 1.062 0 40 DDAB O=C(c1noc2c1COCC2)N1CCC[C@@H]([C@H]2CCCCN2)C1 527592883 DMRMWARMNNVUDI-TZMCWYRMSA-N 319.405 1.742 0 40 DDAB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 242648578 RBNRXKZRLCSYSL-HAQNSBGRSA-N 311.426 1.772 0 40 DDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 3477557 ZBGKLXRMMOMFET-CABCVRRESA-N 322.380 1.875 0 40 DDAB CN1CC[C@H](N2CCC(N(C)c3ncc(Cl)cn3)CC2)C1=O 1848587303 RODCWHWODUUJID-ZDUSSCGKSA-N 323.828 1.261 0 40 DDAB CCOC(=O)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 6940316 DEHQHCLVODCJNO-QGZVFWFLSA-N 321.417 1.839 0 40 DDAB CS(=O)(=O)c1cc(C(=O)O[C@H]2CCOC2=O)ccc1Cl 10242029 AVEMXKGDAHPOKC-VIFPVBQESA-N 318.734 1.216 0 40 DDAB Cn1c(COc2cc(Cl)ccc2Cl)cc(=O)n(C)c1=O 10538785 PNZRWFGZWSRLKG-UHFFFAOYSA-N 315.156 1.970 0 40 DDAB Cc1ccnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1 1888843571 BKFFJMBIGDXRCF-UHFFFAOYSA-N 315.377 1.180 0 40 DDAB Cc1c(C(=O)Nc2cnn(C)c2)sc2ncn(C)c(=O)c12 25306727 UZINDDOSWCBQRX-UHFFFAOYSA-N 303.347 1.289 0 40 DDAB COCC(=O)N1CC[C@H]2[C@@H](COCCN2c2ccccc2)C1 2037978370 SIYXBRJIAKKHBG-ZBFHGGJFSA-N 304.390 1.387 0 40 DDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@H]12 1565544875 AASOVDXLMBPLNS-OZVIIMIRSA-N 305.378 1.034 0 40 DDAB NC1=N[C@@](O)(c2ccccc2)[C@@H](NC(=O)c2ccccc2)S1 523876 ASLFRGULYHGHOP-GOEBONIOSA-N 313.382 1.649 0 40 DDAB CCS(=O)(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206846362 RQHREJHRKWDUPI-LBPRGKRZSA-N 323.374 1.485 0 40 DDAB Cc1cc(O[C@H]2CCN(C(=O)Cn3cccc3)C2)nc(C)n1 606440851 JQCJTIYEDMUMRW-AWEZNQCLSA-N 300.362 1.575 0 40 DDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1 3222509 ZKZGLCAVBSIOPB-UHFFFAOYSA-N 313.313 1.163 0 40 DDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[C@H](C(=O)O)C1 97063801 HDLMCPPHSRDDFW-GXSJLCMTSA-N 301.339 1.666 0 40 DDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(c2cccc(Cl)c2)CC1 30805270 BTQYLSXWAMQFDQ-LBPRGKRZSA-N 313.806 1.675 0 40 DDAB CN(Cc1ccco1)C(=O)[C@H]1CCCN(c2cnccn2)C1 31459330 LSMVBQZGUOAIHV-ZDUSSCGKSA-N 300.362 1.945 0 40 DDAB NC(=O)N[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1F 40513850 HEMPTDGVGRQFRM-MFKMUULPSA-N 309.341 1.220 0 40 DDAB COc1ccc2c(ccn2CC(=O)N2CCC[C@@H]2C(N)=O)c1 20760881 MSDQHFWHSXRSCO-CQSZACIVSA-N 301.346 1.126 0 40 DDAB biogenic C[C@@H](CNS(=O)(=O)N1CCCCC1)N1CCCC[C@H]1C 32441164 FSSWDWBHRRFVKD-KGLIPLIRSA-N 303.472 1.570 0 40 DDAB CC(C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 21733885 FOIHSEDXJALKGD-OAHLLOKOSA-N 308.309 1.544 0 40 DDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(F)(F)F)cc1 32912799 MDIZICDAKQDVDJ-KCJUWKMLSA-N 319.304 1.855 0 40 DDAB O=C1CCCN1CCCNS(=O)(=O)c1c(F)cccc1F 21871002 LJXPNLUFVGHEMJ-UHFFFAOYSA-N 318.345 1.256 0 40 DDAB Cc1cccc([C@H](CC(=O)NC[C@H]2CCOC2)NC(N)=O)c1 41365763 CWQJHGLWGZTVQT-OCCSQVGLSA-N 305.378 1.247 0 40 DDAB O=C1CCSc2ccc(C(=O)NC[C@@H]3CCOC3)cc2N1 41376975 MWFQOYQTQCWXII-JTQLQIEISA-N 306.387 1.887 0 40 DDAB CCOc1ccc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 22546342 BUQVASPJOCUCKD-HNNXBMFYSA-N 311.403 1.321 0 40 DDAB CN(C)[C@H](CNC(=O)c1nccnc1N)c1ccccc1Cl 22869955 ASLJUAZLTKBKMQ-GFCCVEGCSA-N 319.796 1.745 0 40 DDAB Cc1cc(C(=O)N2CCN(Cc3csc(C)n3)CC2)on1 42359959 HYLGRHUHKWIIKC-UHFFFAOYSA-N 306.391 1.706 0 40 DDAB C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O 54333857 HEUNIKABARFONS-LURJTMIESA-N 312.174 1.992 0 40 DDAB Cc1cccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)c1 105882953 LSNBGLHKHHRRKI-HNNXBMFYSA-N 313.405 1.937 0 40 DDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 551427 FYMDPHPYLXMCGD-OHTBPHCPSA-N 305.717 1.711 0 40 DDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CC3)C2)nc1 55329029 FXVRERJGCPNQMZ-GFCCVEGCSA-N 302.378 1.913 0 40 DDAB COCc1ccccc1C(=O)NCCc1n[nH]c(=S)n1C 78502207 AMRYXETVJPYNBV-UHFFFAOYSA-N 306.391 1.597 0 40 DDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ccon3)C2)o1 78892309 CMAPRTMPEPQTEZ-CQSZACIVSA-N 318.377 1.848 0 40 DDAB Cc1c(S(=O)(=O)Nc2ccn(C)n2)cnn1-c1ccccn1 78902648 PZALCELZHVPZLZ-UHFFFAOYSA-N 318.362 1.110 0 40 DDAB NC(=O)NCCSC1(SCCNC(N)=O)CCCCC1 1699308 XCJHPJUAVCRPKD-UHFFFAOYSA-N 320.484 1.450 0 40 DDAB CCn1cnnc1CNC(=O)N[C@@H](C)CNc1ccccc1 79104285 HYQCBOSBMPLNQM-LBPRGKRZSA-N 302.382 1.598 0 40 DDAB C[C@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 4034527 WFMKQSRURUPTEW-JTQLQIEISA-N 301.371 1.840 0 40 DDAB CCn1cc(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)cn1 43645415 HXPXLDORSZFXGB-HNNXBMFYSA-N 323.441 1.771 0 40 DDAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(C[C@H]2CCCO2)CC1 107325710 VRCBAMKFMQXCKC-CAOSSQGBSA-N 323.506 1.846 0 40 DDAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7307851 NCJZWPRTHRUXAY-VIFPVBQESA-N 300.380 1.730 0 40 DDAB Cc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 57525584 DPDXOALONLRELC-UHFFFAOYSA-N 323.352 1.647 0 40 DDAB CCCO[C@@H]1CCCN(C(=O)N[C@H](C)Cn2cncn2)CC1 108569556 KNKACSBJUNVCME-ZIAGYGMSSA-N 309.414 1.657 0 40 DDAB S=C(NCCN1CCOCC1)N1CCC[C@H]2CCCC[C@H]21 57766977 NAEAYZQUIQLPND-HUUCEWRRSA-N 311.495 1.848 0 40 DDAB CCCS(=O)(=O)NC[C@H]1CCN(c2ccccc2OC)C1 58290727 ADWYUQVTUITCDI-CYBMUJFWSA-N 312.435 1.851 0 40 DDAB CCN1C[C@H](C(=O)NCc2ccccc2-n2cccn2)CC1=O 58203544 DCPCMYASLMVCJL-CQSZACIVSA-N 312.373 1.357 0 40 DDAB Cc1noc(CN2CCN(C(=O)Cc3ccccc3F)CC2)n1 58283625 CGMYTGVOMSYARN-UHFFFAOYSA-N 318.352 1.404 0 40 DDAB CCOCCNC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 44967918 YQKCNWISZKZARE-ZDUSSCGKSA-N 317.393 1.655 0 40 DDAB CC[C@H](O)CN(CC(=O)NC(=O)NC1CC1)c1ccccc1 58331457 GOVGGNWPOLFNRD-AWEZNQCLSA-N 305.378 1.252 0 40 DDAB CC(=O)NCCNC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 58305712 FQHLSUAKVNCGLI-QGZVFWFLSA-N 315.417 1.391 0 40 DDAB NC(=O)[C@H]1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1 45464338 UFWPTXZPAQGGIO-IDKOKCKLSA-N 307.316 1.624 0 40 DDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)CC(C)C)cc1 45501686 BNTRWTHBFKBTAI-JXMROGBWSA-N 310.419 1.722 0 40 DDAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)n1cccn1 45838871 KSFGGRQTQAZSHG-ZETCQYMHSA-N 300.240 1.790 0 40 DDAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 57312755 AHHGDOXXHIEZDU-HOCLYGCPSA-N 304.390 1.749 0 40 DDAB C[C@H]1COCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 46254986 WOVJMGNKPXHOEJ-JSGCOSHPSA-N 302.374 1.825 0 40 DDAB O=C(NCCNC(=O)c1ccco1)NOCc1ccccc1 29728512 DODWFFVPDACIMJ-UHFFFAOYSA-N 303.318 1.440 0 40 DDAB Cc1cc(C)c(NS(=O)(=O)c2cnn(C)c2)c(C(=O)O)c1 61022378 YDDXQURNFSCSRC-UHFFFAOYSA-N 309.347 1.536 0 40 DDAB Cc1cccc(OCC(=O)Oc2cccc(-n3cnnn3)c2)c1 21798386 ADCCYKNQGFZPTP-UHFFFAOYSA-N 310.313 1.955 0 40 DDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 48264487 FYHTWYFTDPIGIB-YGRLFVJLSA-N 324.331 1.583 0 40 DDAB Cn1nccc1C(=O)NCC1(N2CCOCC2)CCCCC1 28575208 MIIMNWKLIXWZSA-UHFFFAOYSA-N 306.410 1.185 0 40 DDAB O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cccnc1 96007303 IHLPTQZUIWKYHM-UHFFFAOYSA-N 301.331 1.463 0 40 DDAB Nn1c(S)nnc1COc1cccc(Br)c1 3335953 FNENUIRQFZDCDH-UHFFFAOYSA-N 301.169 1.622 0 40 DDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 3327837 XIUQQAAAAOXMFI-KRWDZBQOSA-N 317.389 1.630 0 40 DDAB Cc1cc2cc(CNCCN3CCOCC3)c(=O)[nH]c2cc1C 22459631 HVFXWYVNWGUWTB-UHFFFAOYSA-N 315.417 1.567 0 40 DDAB C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 63194220 XZFBRKNVQAZSPF-WCBMZHEXSA-N 322.352 1.994 0 40 DDAB O=C(O)CCn1cc(I)c(C(F)F)n1 408716642 PBVMBSFOJRIGRU-UHFFFAOYSA-N 316.045 1.900 0 40 DDAB CCOC(=O)[C@@]1(CCC(C)C)C[C@H](CSC(=N)N)OC1=O 4117709 QFKWHOWLLJPQED-QMTHXVAHSA-N 316.423 1.914 0 40 DDAB CN1N=C(C(=O)Nc2nc3ccc(F)cc3s2)CCC1=O 6087189 BRZOINGJJCVHPV-UHFFFAOYSA-N 306.322 1.982 0 40 DDAB O=C(NCc1cccnc1)C(=O)Nc1ccc2nsnc2c1 13725301 PPNFVSAOBWNUKJ-UHFFFAOYSA-N 313.342 1.341 0 40 DDAB Cc1onc2c(=O)n(C)nc(C(=O)NC3(C)CCC(C)CC3)c12 65514085 IVWZGYDJYHMTPC-UHFFFAOYSA-N 318.377 1.929 0 40 DDAB C[C@H](C(N)=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 65512960 SUFLPEYGMNFZMA-VXGBXAGGSA-N 322.384 1.533 0 40 DDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 65512916 AMSPFUGQZXZYAY-SJORKVTESA-N 300.402 1.768 0 40 DDAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1N 5335581 GEBVPGRLKCXQJL-VIFPVBQESA-N 309.395 1.649 0 40 DDAB CCS(=O)(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 65611550 XPWUQQFAWAWNCW-LLVKDONJSA-N 320.455 1.961 0 40 DDAB CC(C)CCOCCNC(=O)Cc1ccc(-n2cnnn2)cc1 65603701 PGADZXREEGCHNJ-UHFFFAOYSA-N 317.393 1.384 0 40 DDAB NC(=O)[C@H]1CCCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 65622854 ZJBQNCNGIHTWGJ-HVHJFMEUSA-N 324.384 1.609 0 40 DDAB CCN1CCC[C@H](NC(=O)C2CCN(c3ncccn3)CC2)C1 65624499 GOLDSPPYARHCHF-HNNXBMFYSA-N 317.437 1.294 0 40 DDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1CO 83752805 HFJCTNWWKDZRPA-OXMIEMGYSA-N 302.440 1.233 0 40 DDAB O=S1(=O)N=C2CCCN2[C@H](c2ccccc2OC(F)F)N1 6550025 WZCGLPOSBJCZMG-LLVKDONJSA-N 317.317 1.629 0 40 DDAB Cn1c(CN2Cc3ccccc3C[C@@H]2C(N)=O)nc2ccccc21 96489473 HICPEPLBFUDATR-QGZVFWFLSA-N 320.396 1.986 0 40 DDAB CC(C)n1ccc(CN2C(=O)c3ccccc3CS2(=O)=O)n1 96408051 IQPYIMTTWXLTEF-UHFFFAOYSA-N 319.386 1.950 0 40 DDAB COCC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 27978237 AZJIBEHJFFCQDG-VXGBXAGGSA-N 306.362 1.521 0 40 DDAB Cc1cc(C)n2nc(C(=O)N3CCN4CCCC[C@@H]4C3)nc2n1 71839896 XQYNDPBDLGHUDF-CYBMUJFWSA-N 314.393 1.051 0 40 DDAB CCn1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)cn1 95428325 RTHLPSULAVEBFD-UHFFFAOYSA-N 300.362 1.571 0 40 DDAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCOC2(CCCC2)C1 95422753 AOVSASLLOJPIKI-AWEZNQCLSA-N 308.422 1.949 0 40 DDAB CC[C@H]1CC[C@H](C)N1C(=O)Cn1nnc2ccccc2c1=O 95458854 IVZZCTSJUUQTNI-RYUDHWBXSA-N 300.362 1.581 0 40 DDAB C[C@@H]1C(=O)NCCN1C(=O)c1ccc(SC(F)F)cc1 72096345 HHDBDSMCQCNFND-MRVPVSSYSA-N 300.330 1.962 0 40 DDAB C[C@H](NC[C@]1(O)CCOC1)c1ccc(S(C)(=O)=O)c(F)c1 90849700 GONDXVJQDXZJJC-IINYFYTJSA-N 317.382 1.031 0 40 DDAB C[C@@H](C(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1cccs1 95404143 MVHFSIUZKBKHKR-ZJUUUORDSA-N 302.421 1.131 0 40 DDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@@H](C)OC2=O)c1C 9835366 UGEPDDYVBSXORE-XCBNKYQSSA-N 309.318 1.669 0 40 DDAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 8128400 HXWVVCMTFYGSBH-MRXNPFEDSA-N 307.394 1.356 0 40 DDAB Cc1ccccc1C(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 81700974 ONFVVULGCKFZJD-SJLPKXTDSA-N 324.380 1.499 0 40 DDAB N[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)C1 97019404 LSQXLLNNUBZUEQ-SNVBAGLBSA-N 307.300 1.722 0 40 DDAB Cc1noc(C)c1[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C(N)=O 69351505 RDEKEKRRDLGWLO-OTYXRUKQSA-N 313.357 1.838 0 40 DDAB C[C@@H](CC(=O)NCCCN(C)S(C)(=O)=O)C1CCCCC1 69492503 SBQSNJSUNACPMZ-ZDUSSCGKSA-N 318.483 1.991 0 40 DDAB O=C1CC[C@H](C(=O)NCCc2ccccc2Br)N1 69950314 SEEVVIQZCCRSOE-LLVKDONJSA-N 311.179 1.386 0 40 DDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cccn(C)c2=O)n1 69930064 UGFCVMONNSMJBA-AWEZNQCLSA-N 314.389 1.503 0 40 DDAB CCCNC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 8718803 ZMFYZVGCOAZQSO-SECBINFHSA-N 321.402 1.375 0 40 DDAB CNC[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 71144884 BTZBCNHYHZWEHQ-VIFPVBQESA-N 306.790 1.709 0 40 DDAB c1cc2nnnn2nc1NCCc1nc2c(s1)CCCC2 95980017 QZIHDKYWUJZYCJ-UHFFFAOYSA-N 301.379 1.509 0 40 DDAB COc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)nc1 95941641 XRSVQCWWHHBXBI-UHFFFAOYSA-N 304.327 1.435 0 40 DDAB O=S1(=O)CCCN1c1cc(NCc2ncc[nH]2)ccc1F 89793273 ZSPMBWZSTVSSLZ-UHFFFAOYSA-N 310.354 1.701 0 40 DDAB CC(=O)N1CCCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 89930532 OSRCYMVMKBLHNG-OAHLLOKOSA-N 317.389 1.774 0 40 DDAB Cc1nc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)no1 76047303 AYZUGIQJVZMNRX-HNNXBMFYSA-N 301.394 1.522 0 40 DDAB Cc1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1C 121954432 HFTQVSNEHOLHRD-STQMWFEESA-N 302.374 1.756 0 40 DDAB O=C(Nc1ccnn1-c1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 524769541 JPGBWKTUUNRCFC-GFCCVEGCSA-N 310.357 1.822 0 40 DDAB Cc1cc(=O)cc(O)n1CCn1c([C@H](C)O)nc2ccccc21 1547205986 NMBLXKLIYUOTBI-LBPRGKRZSA-N 313.357 1.966 0 40 DDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(N)COC 218514674 IVEIXUKTHAQUOL-AGIUHOORSA-N 303.811 1.584 0 40 DDAB O=S(=O)(NCc1ccco1)c1cnn(-c2ccccn2)c1 72238963 ODLORMNWZOZDQX-UHFFFAOYSA-N 304.331 1.339 0 40 DDAB COCCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl 77750607 SKPZIQWNDFRZCN-JTQLQIEISA-N 307.177 1.972 0 40 DDAB CC(=O)c1ccc(C(=O)NCc2cnc(N(C)C)n2C)cc1 76611936 PKNKXANJQHSAKP-UHFFFAOYSA-N 300.362 1.619 0 40 DDAB CCN1CCN(C(=O)[C@]2(C)Sc3ccccc3NC2=O)CC1 40773898 VAYPIEBYRAYGII-MRXNPFEDSA-N 319.430 1.654 0 40 DDAB Cc1cc(N2C[C@H](C(N)=O)CC2=O)c(C)cc1Br 45952790 DIRCKAWTFRMQLV-SECBINFHSA-N 311.179 1.904 0 40 DDAB C[C@H]1CN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)C[C@@H](C)O1 226755052 CRSMPYBWSDZCMK-FRRDWIJNSA-N 317.389 1.976 0 40 DDAB COCCCn1c(SCc2nc(C)c(C)s2)n[nH]c1=O 86987214 ZNPJRDQWMMIKAZ-UHFFFAOYSA-N 314.436 1.974 0 40 DDAB CCOc1cncc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 134900646 CUCFGKOPGAEKIC-CYBMUJFWSA-N 316.361 1.754 0 40 DDAB O=C(CN1CCSC1=O)N[C@H]1CCN(Cc2ccccc2)C1 44869655 NYDZSSZHFFXROW-AWEZNQCLSA-N 319.430 1.546 0 40 DDAB CC(C)N(CCN(C)S(=O)(=O)[C@H]1CCO[C@@H]1C)C(C)C 195574585 VELHOIDDAMVEAZ-KGLIPLIRSA-N 306.472 1.544 0 40 DDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NC[C@@H]1CCCO1)O2 40778654 ZSDAFQBYEYRRDA-ZBEGNZNMSA-N 304.346 1.380 0 40 DDAB Cc1ccccc1OCC(=O)N1CC[C@H](Oc2cnccn2)C1 225792827 JTADCFQFMKYPMK-AWEZNQCLSA-N 313.357 1.844 0 40 DDAB CS(=O)(=O)CCN1CCCC[C@H]1CNC(=O)c1ccccc1 96445769 QOMJUYOLKRZZDV-HNNXBMFYSA-N 324.446 1.316 0 40 DDAB O=C(O)CN1CCC[C@]2(COCCN(Cc3ccccn3)C2)C1 96229372 NCSAJUYJYVNHRZ-KRWDZBQOSA-N 319.405 1.081 0 40 DDAB O=C(c1cnccn1)N1CCc2onc(CN3CCCC3)c2C1 96259732 ALVXUODUEFQDPY-UHFFFAOYSA-N 313.361 1.259 0 40 DDAB CC(=O)N1CCN(C(=O)CCNc2ccc(Cl)cn2)CC1 96429838 PAHRXARMAUVDOW-UHFFFAOYSA-N 310.785 1.228 0 40 DDAB O=C1COC2(CCN(CC3CC3)CC2)CN1c1cncnc1 96049242 WUVWDPOHYOHECE-UHFFFAOYSA-N 302.378 1.084 0 40 DDAB CC(C)CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96100413 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306.406 1.629 0 40 DDAB Cc1ccc(C)c(CSc2ncc(CO)n2CC(N)=O)c1 9827655 UYGFFKBSIHIDNE-UHFFFAOYSA-N 305.403 1.770 0 40 DDAB CCC(=O)N1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055754640 LORMYIGYOOGLIC-UHFFFAOYSA-N 303.406 1.958 0 40 DDAB CCOC(=O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N+](=O)[O-] 100056314 GMDGUQAKAZCNIH-LBPRGKRZSA-N 307.262 1.827 0 40 DDAB Cc1ccc(O)c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 40007765 SXTJPXBXOFSGMY-CQSZACIVSA-N 306.406 1.787 0 40 DDAB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)ccc1O 20086317 UNXNLWRVTZPAQV-ZDUSSCGKSA-N 313.313 1.801 0 40 DDAB CC[C@@H](C)NC(=O)Cn1cnc2cc(C(=O)O)ccc2c1=O 20004270 QIPVNUNLODYQHP-SECBINFHSA-N 303.318 1.009 0 40 DDAB O=C([C@H]1COCCO1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50379402 RXDFDWLLVVMIRC-JKSUJKDBSA-N 323.364 1.749 0 40 DDAB COc1ccccc1-n1nnc(C(=O)N2CCOC[C@@H]2C)c1C 31115791 WEVPVQYBFQGKPP-NSHDSACASA-N 316.361 1.445 0 40 DDAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CCN2CCCC[C@H]12 40534778 IGNTZYXKZCLCPU-GHMZBOCLSA-N 316.327 1.645 0 40 DDAB 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ZCIWYOXEFCOPIS-UHFFFAOYSA-N 306.381 1.691 0 40 DDAB COc1ccc(OC)c(C(=O)NCCC(=O)N2CCCC2)c1 9646265 RAVKWZYWJIGASB-UHFFFAOYSA-N 306.362 1.446 0 40 DDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(Cl)cc1F 16050399 MIARHNKOEXHODG-UHFFFAOYSA-N 324.695 1.963 0 40 DDAB CC(C)C(=O)N1CCN(C(=O)c2ncoc2-c2ccco2)CC1 95959708 QWFHIWZGKSKYBB-UHFFFAOYSA-N 317.345 1.875 0 40 DDAB COCCN1CCN(CC(=O)Nc2cc(C(C)C)no2)C[C@@H]1C 70037069 KWMDRHDRFOTADM-ZDUSSCGKSA-N 324.425 1.389 0 40 DDAB CCCc1cc(N2CCC[C@@H]2Cn2cncn2)n2ncnc2n1 69601537 KUNDQDVVXLCIPQ-CYBMUJFWSA-N 312.381 1.337 0 40 DDAB CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)C)c1ccc(C)cc1 69630882 CKQSXYYSTNCSBX-HOCLYGCPSA-N 319.405 1.188 0 40 DDAB O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@H](c2ncc[nH]2)C1 95972684 MKYOAPVSWLFKHR-KKUMJFAQSA-N 309.410 1.146 0 40 DDAB COc1ccnc(N2CCN(C[C@@H]3CCCCN3C)CC2)n1 69738812 VROQCVZNSWMTAI-AWEZNQCLSA-N 305.426 1.092 0 40 DDAB Cc1cc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ncn1 97081339 OPWIUXAKJRRGDB-AWEZNQCLSA-N 324.450 1.616 0 40 DDAB CC(C)OC(=O)[C@@H]1CCCN1C(=O)CN(C)C(=O)c1ccco1 72288924 KGMCJCVRAZAVCW-LBPRGKRZSA-N 322.361 1.294 0 40 DDAB O=C(NCc1ccco1)C1CCN([C@@H]2CCCC[C@@H]2O)CC1 95976593 NPDFQCZTMNWXNB-CVEARBPZSA-N 306.406 1.911 0 40 DDAB CCc1nc(CNc2ccccc2CN2CCNC2=O)no1 97114015 PIHVRJDSGOBXJF-UHFFFAOYSA-N 301.350 1.769 0 40 DDAB Cn1nc2c(cc1=O)CN(Cc1ccn(-c3ccccc3)n1)CC2 72302361 QBHKFKPYGRVPJK-UHFFFAOYSA-N 321.384 1.524 0 40 DDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc3cn[nH]c23)C1 97235523 RPPGZNSONVLSSH-CYBMUJFWSA-N 308.407 1.077 0 40 DDAB CC[C@@H](NC(=O)c1cccc2[nH]ccc12)C(=O)N1CCOCC1 84368146 RVPRJEWUTGZQTK-CQSZACIVSA-N 315.373 1.535 0 40 DDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)c1ccco1 35598467 RHUGGYRFVQXSHV-UHFFFAOYSA-N 304.371 1.982 0 40 DDAB c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1 20141546 FYZCOWVJKKSEFR-UHFFFAOYSA-N 316.409 1.375 0 40 DDAB CCc1nc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)O)co1 1550924083 KUOBWWHNMLKTNG-AWEZNQCLSA-N 316.313 1.898 0 40 DDAB O=C(CNC(=O)C1CC1)Nc1ccc2c(c1)NC(=O)CS2 515030186 KJZXSQQTPGSYKC-UHFFFAOYSA-N 305.359 1.196 0 40 DDAB Cc1cccc(CN2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)n1 306144292 ZBRLBZFDRRQMDA-USXIJHARSA-N 315.417 1.459 0 40 DDAB Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3c2nncs2)cn1 306132671 LOZZJRHSUKLQCI-OLZOCXBDSA-N 315.402 1.735 0 40 DDAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241590 OPLRPGOWEVPSJX-LSDHHAIUSA-N 308.353 1.640 0 40 DDAB Cc1cc(N)nc([C@]2(C)CCCN2C(=O)Cn2cccn2)n1 72388453 MGJOJEWBTSIPJQ-HNNXBMFYSA-N 300.366 1.102 0 40 DDAB C[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1cnn(C)c1 72563016 LMRHZRPEEJAXSM-JTQLQIEISA-N 312.337 1.279 0 40 DDAB O=S(=O)(NCCc1cnoc1)c1c[nH]c(C(F)(F)F)c1 1548451877 WNXGYUVVWHXHSC-UHFFFAOYSA-N 309.269 1.543 0 40 DDAB Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](C(C)C)N1CCCC1=O 79028458 VANIFURUGRECGP-DOTOQJQBSA-N 318.417 1.792 0 40 DDAB COc1ccccc1NCC(=O)NC[C@@H]1CCN(C(C)C)C1 79044657 YTPVIRCEHQGNHW-AWEZNQCLSA-N 305.422 1.954 0 40 DDAB COC(=O)CNC(=O)CCc1cc(Br)cs1 78655828 NFHHHUNAKHAMSQ-UHFFFAOYSA-N 306.181 1.732 0 40 DDAB C[C@H](CN1CCCC1=O)NC(=O)c1cc(Cl)nc(N(C)C)c1 79044087 FPSMBXPCJRFHAS-SNVBAGLBSA-N 324.812 1.542 0 40 DDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1cc(C)n[nH]1)C2=O 47555543 VMMYUGUCSFIFIS-UHFFFAOYSA-N 312.329 1.651 0 40 DDAB COc1ccccc1CNC(=O)C(=O)N[C@@H](C)Cc1ccco1 44444187 JMAZEQILJFSAIW-LBPRGKRZSA-N 316.357 1.652 0 40 DDAB COc1cc(OC)cc(S(=O)(=O)N(C)c2ncccn2)c1 225754136 XDGZMUSTICVADY-UHFFFAOYSA-N 309.347 1.319 0 40 DDAB O=C(O)c1cnc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cn1 570964022 CAHXJKOUVZJVQD-GFCCVEGCSA-N 312.329 1.501 0 40 DDAB Cn1cc(C[C@H]2CC(=O)N(Cc3cccc(F)c3F)C2=O)cn1 81182254 LIAVEIPDELTODU-LBPRGKRZSA-N 319.311 1.816 0 40 DDAB Cc1cc(C)n(CCNS(=O)(=O)Cc2cccc(F)c2)n1 44159167 SQHUMYNHSVRICL-UHFFFAOYSA-N 311.382 1.759 0 40 DDAB CN(C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 190675541 KWUBTOXHJNUGOA-HNNXBMFYSA-N 307.369 1.835 0 40 DDAB Cn1cccc1C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161484 IREKIAADUPIYNG-IYBDPMFKSA-N 310.401 1.624 0 40 DDAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96161680 MJVVGQYNGJUHKN-UPJWGTAASA-N 307.419 1.070 0 40 DDAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC4CCC4)=NO3)C2)o1 96225555 IDGKTGGGJDJAIM-QGZVFWFLSA-N 317.389 1.978 0 40 DDAB Cn1cc(-c2ncnc3c2CCN(Cc2nccn2C)CC3)cn1 96255189 ZCSLDTWCGLFBNX-UHFFFAOYSA-N 323.404 1.211 0 40 DDAB CCOC[C@H]1CN(C(=O)c2ccncc2)Cc2cnn(C)c21 96060081 REXSVCGEMXYYJX-CQSZACIVSA-N 300.362 1.591 0 40 DDAB O=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(C3CCC3)C[C@H]21 96040767 CTFIBYFAGRNTEC-WQVCFCJDSA-N 301.390 1.767 0 40 DDAB CN1CCN(Cc2cn3c(n2)CN(Cc2ccoc2)CC3)CC1 96059420 BGCFNPXVLAPGFC-UHFFFAOYSA-N 315.421 1.239 0 40 DDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96065317 JWCHEPVSYKILLM-KFWWJZLASA-N 308.378 1.164 0 40 DDAB Cn1cccc1C(=O)NC[C@H]1OCCc2cn(CC3CC3)nc21 96044362 NQUVDQYDBHCSOG-OAHLLOKOSA-N 314.389 1.675 0 40 DDAB O=C1C[C@H](c2ccncc2)C2(CCN(C[C@@H]3CCOC3)CC2)N1 96069781 WQPNEPXQYKCQQY-GOEBONIOSA-N 315.417 1.556 0 40 DDAB CCOc1ccc([C@H](COC)NC(=O)c2cnccn2)cc1 252507927 WXLWUCLXXAZAPC-HNNXBMFYSA-N 301.346 1.993 0 40 DDAB O=C1CN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)CCN1 257272629 NDENCSLZEKNOQZ-UHFFFAOYSA-N 313.332 1.384 0 40 DDAB Cc1cc(N2CCC[C@@H](Cc3cc(C(N)=O)ncn3)C2)ncn1 257330583 XOZOMYJSUAYBQQ-LBPRGKRZSA-N 312.377 1.133 0 40 DDAB Cc1nn(C)cc1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257341820 ZMCNIDWWIGFPQX-GFCCVEGCSA-N 315.377 1.343 0 40 DDAB CC(=O)N1CCC(c2cc(N3C(=O)OC[C@@H]3C)nc(C)n2)CC1 257218952 DEZOEZJOGMOFDG-JTQLQIEISA-N 318.377 1.856 0 40 DDAB CCCn1cc(CN2CCO[C@@H](c3cc(O)nc(C)n3)C2)cn1 257266078 MBLQWUFVAROPNO-OAHLLOKOSA-N 317.393 1.671 0 40 DDAB CCc1ccc(N2CCN(CCCS(N)(=O)=O)CC2)cc1 266577068 GICAALPRXFENEV-UHFFFAOYSA-N 311.451 1.050 0 40 DDAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccon1)OC 96385100 DLMUHBHGDNTARY-LBPRGKRZSA-N 319.317 1.126 0 40 DDAB CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280616 LWQLBYVOXRSKGV-FXAINCCUSA-N 314.744 1.176 0 40 DDAB O=C([C@H]1CCOC1)N1CCc2ncc(-c3ccccc3)n2CC1 585111054 BUVAUNUAZPRYFR-HNNXBMFYSA-N 311.385 1.971 0 40 DDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1ccoc1)C2 585110797 HKQSFBUDDZVCPD-ZDUSSCGKSA-N 300.362 1.345 0 40 DDAB CC1(C)C[C@]2(CCCN2C(=O)c2ccco2)[C@H](CC(N)=O)O1 585287931 IIZJGSCBJZYNHS-BLLLJJGKSA-N 306.362 1.697 0 40 DDAB CCNS(=O)(=O)c1ccc(N(C)Cc2ccncc2)nc1 72289806 ZCBMUCGHTNLNJP-UHFFFAOYSA-N 306.391 1.411 0 40 DDAB O[C@@H](CNc1nccn2cnnc12)COc1ccc(F)cc1 72289828 CICUIALZQMTDAX-NSHDSACASA-N 303.297 1.115 0 40 DDAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3cccnc3)nn2)C1 72366338 SODASWGNNCFBSM-LBPRGKRZSA-N 318.402 1.363 0 40 DDAB NC(=O)CC1CCN(S(=O)(=O)CCc2ccccc2)CC1 56088988 RZVYUTBGDLZRBK-UHFFFAOYSA-N 310.419 1.146 0 40 DDAB Cc1cc(OCC2CCN(c3cc(=O)n(C)cn3)CC2)ncn1 1565520871 WOVDCSFDLKMBJU-UHFFFAOYSA-N 315.377 1.174 0 40 DDAB CO[C@@H](C)c1nc(Cn2cc(Cl)c(=O)[nH]c2=O)cs1 85252411 NXNOTKSNNDAUDQ-LURJTMIESA-N 301.755 1.402 0 40 DDAB CCn1c2cc(C)sc2c2cnn(CC(=O)OC)c(=O)c21 12142696 LJOPJUXNIMORKL-UHFFFAOYSA-N 305.359 1.914 0 40 DDAB CC(=O)N(C)Cc1nc2ccccc2n1CC(=O)N1CCCC1 15922130 FNJCLLFWJUBPHT-UHFFFAOYSA-N 314.389 1.637 0 40 DDAB COc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)c(OC)c1 19575253 VWIYNOSNUHBASB-BPLDGKMQSA-N 306.406 1.343 0 40 DDAB Cn1nccc1CN1CCO[C@@H](c2ccc(-c3cc[nH]n3)cn2)C1 19692512 NVUKJTWJWZBVQM-QGZVFWFLSA-N 324.388 1.779 0 40 DDAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)[C@@H]1CCCO1 225809433 OPGBGUSBKLTCTB-VIFPVBQESA-N 314.267 1.543 0 40 DDAB CC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)O 5817093 BBLNOZVMGDFKJK-UHFFFAOYSA-N 317.164 1.980 0 40 DDAB CCN(Cc1cncn1C)[C@@H]1CCOC2(CCN(C)CC2)C1 643914317 OOMZTCRTAPKFFI-OAHLLOKOSA-N 306.454 1.885 0 40 DDAB CN1C[C@@H]2C[C@@H](NC(=O)c3n[nH]c4ccccc34)C[C@H](C1)N2C 255987491 MHNNVDILNTUWNS-CLLJXQQHSA-N 313.405 1.070 0 40 DDAB in-vitro CC(=O)Nc1cnn([C@@H]2CCN(C(=O)c3ccncc3F)C2)c1 1888859259 GATRXROULOTVJR-GFCCVEGCSA-N 317.324 1.463 0 40 DDAB Cc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100048104 NLBPMILMRQHRGY-AJNGGQMLSA-N 322.364 1.837 0 40 DDAB CC1CC(C(=O)N2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)C1 1614927833 CWPLZOARVZPQQH-QWQCLYJRSA-N 314.389 1.478 0 40 DDAB CC1CC(C(=O)N2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)C1 1565545053 XMHHBCBRSMOZOP-QUINOFQRSA-N 312.435 1.200 0 40 DDAB COC1(CC(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)CCC1 1565545414 HUHVRPQTKHDJRH-UHFFFAOYSA-N 323.437 1.598 0 40 DDAB O=C(CSc1nnnn1-c1cccc(O)c1)N1CCCCC1 107535 SQQIQMHWGPJAIQ-UHFFFAOYSA-N 319.390 1.473 0 40 DDAB NC(=O)CSc1ccc(NC(=O)c2cccc(F)c2)nn1 11737902 GDMJCMDZCOJIJH-UHFFFAOYSA-N 306.322 1.445 0 40 DDAB C[C@H]1OC(=O)C=C[C@@H](O)[C@@H](O)CCCCCCCC[C@@H]1O 1857649663 OXTXYWGSTRVDDS-CBBWQLFWSA-N 300.395 1.691 0 40 DDAB biogenic COc1cccc(CNC(=O)Cn2c(C)nc(C)c(C)c2=O)c1 1775967665 ZYSZLEHOPXZDHX-UHFFFAOYSA-N 315.373 1.494 0 40 DDAB O=S(=O)(/C=C/c1ccccc1)NCCn1ccn2nccc12 206746010 GTIPNDSVMSRTQS-NTUHNPAUSA-N 316.386 1.726 0 40 DDAB Cc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)c(F)c1 40508655 PEFFIADCTAAEFA-SECBINFHSA-N 320.349 1.977 0 40 DDAB C[C@H](CNS(=O)(=O)c1cnn(C)c1)N1CCc2ccccc21 40539669 ZZAGXYCRDYAZGP-GFCCVEGCSA-N 320.418 1.150 0 40 DDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)C1 41127799 YTPVMKGFRGGIJJ-TXXBHVLJSA-N 322.748 1.416 0 40 DDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)n1C 32837699 AKHSCOOULVOPSJ-NSHDSACASA-N 321.377 1.647 0 40 DDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 32828531 IFEOAAAEEWDBBP-YNEHKIRRSA-N 322.453 1.193 0 40 DDAB Cn1nc(C(=O)N[C@H]2CCSc3ccccc32)ccc1=O 21899527 LDNCZKDIVKVBJG-NSHDSACASA-N 301.371 1.747 0 40 DDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccnc1 102953214 NFQZTIUSPFQEEN-KBPBESRZSA-N 315.373 1.263 0 40 DDAB CCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 538966 WWQCMKCXSAQIMS-UHFFFAOYSA-N 301.346 1.915 0 40 DDAB biogenic CCOc1ccc(OC[C@H](O)CNC[C@@H]2CCCN2CC)cc1 22920910 JVXSYAHNRVHKSR-JKSUJKDBSA-N 322.449 1.899 0 40 DDAB Cc1ccc2c(c1)CCCN2Cc1nc2c(cnn2C)c(=O)[nH]1 54417745 VXRHOYAPYPGKRU-UHFFFAOYSA-N 309.373 1.918 0 40 DDAB C[C@@H]1c2ccsc2CCN1Cc1nc2c(cnn2C)c(=O)[nH]1 54417882 KENVPJQDHUOVIF-SECBINFHSA-N 315.402 1.837 0 40 DDAB C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 42865930 RAOHASKVHPCEAS-ZWNOBZJWSA-N 303.362 1.720 0 40 DDAB